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 9 physical rank 2 will use CUDA device of pe 7 Pe 10 physical rank 3 will use CUDA device of pe 7 Pe 0 physical rank 0 will use CUDA device of pe 4 Pe 8 physical rank 1 will use CUDA device of pe 7 Pe 11 physical rank 4 will use CUDA device of pe 7 Pe 12 physical rank 5 will use CUDA device of pe 7 Pe 13 physical rank 6 will use CUDA device of pe 7 Pe 5 physical rank 5 will use CUDA device of pe 4 Pe 6 physical rank 6 will use CUDA device of pe 4 Pe 2 physical rank 2 will use CUDA device of pe 4 Pe 3 physical rank 3 will use CUDA device of pe 4 Pe 1 physical rank 1 will use CUDA device of pe 4 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 0.0304727 s CkLoopLib is used in SMP with a simple dynamic scheduling (converse-level notification) but not using node-level queue Info: 38.3828 MB of memory in use based on /proc/self/stat Info: Configuration file is MD.3.conf Info: Working in the current directory /mnt/c/scratch/sciteam/trudack/md/qwikMD/1qhj_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.2.restart.xsc Info: SIMULATION PARAMETERS: Info: TIMESTEP 2 Info: NUMBER OF STEPS 0 Info: STEPS PER CYCLE 20 Info: PERIODIC CELL BASIS 1 68.6478 0 0 Info: PERIODIC CELL BASIS 2 0 80.7948 0 Info: PERIODIC CELL BASIS 3 0 0 100.422 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.2.restart.vel Info: CENTER OF MASS MOVING INITIALLY? NO Info: DIELECTRIC 1 Info: EXCLUDE SCALED ONE-FOUR Info: 1-4 ELECTROSTATICS SCALED BY 1 Info: MODIFIED 1-4 VDW PARAMETERS WILL BE USED Info: DCD FILENAME MD.3.dcd Info: DCD FREQUENCY 100000 Info: DCD FIRST STEP 100000 Info: DCD FILE WILL CONTAIN UNIT CELL DATA Info: XST FILENAME MD.3.xst Info: XST FREQUENCY 100000 Info: NO VELOCITY DCD OUTPUT Info: NO FORCE DCD OUTPUT Info: OUTPUT FILENAME MD.3 Info: RESTART FILENAME MD.3.restart Info: RESTART FREQUENCY 100000 Info: BINARY RESTART FILES WILL BE USED Info: SWITCHING ACTIVE Info: SWITCHING ON 10 Info: SWITCHING OFF 12 Info: PAIRLIST DISTANCE 14 Info: PAIRLIST SHRINK RATE 0.01 Info: PAIRLIST GROW RATE 0.01 Info: PAIRLIST TRIGGER 0.3 Info: PAIRLISTS PER CYCLE 2 Info: PAIRLISTS ENABLED Info: MARGIN 0.495 Info: HYDROGEN GROUP CUTOFF 2.5 Info: PATCH DIMENSION 16.995 Info: ENERGY OUTPUT STEPS 200 Info: CROSSTERM ENERGY INCLUDED IN DIHEDRAL Info: TIMING OUTPUT STEPS 200 Info: PRESSURE OUTPUT STEPS 200 Info: LANGEVIN DYNAMICS ACTIVE Info: LANGEVIN TEMPERATURE 300 Info: LANGEVIN USING BBK INTEGRATOR Info: LANGEVIN DAMPING COEFFICIENT IS 1 INVERSE PS Info: LANGEVIN DYNAMICS NOT APPLIED TO HYDROGENS Info: LANGEVIN PISTON PRESSURE CONTROL ACTIVE Info: TARGET PRESSURE IS 1.01325 BAR Info: OSCILLATION PERIOD IS 200 FS Info: DECAY TIME IS 100 FS Info: PISTON TEMPERATURE IS 300 K Info: PRESSURE CONTROL IS GROUP-BASED Info: INITIAL STRAIN RATE IS -1.35668e-05 -1.35668e-05 -1.35668e-05 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 1474640622 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.2.restart.coor Info: SKIPPING rtf SECTION IN STREAM FILE Info: SKIPPING rtf SECTION IN STREAM FILE Info: SKIPPING rtf SECTION IN STREAM FILE Info: SUMMARY OF PARAMETERS: Info: 942 BONDS Info: 2731 ANGLES Info: 6593 DIHEDRAL Info: 211 IMPROPER Info: 6 CROSSTERM Info: 357 VDW Info: 6 VDW_PAIRS Info: 0 NBTHOLE_PAIRS Warning: VDW TYPE NAME CR15 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR14 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR13 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR12 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR11 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR10 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR9 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR8 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR7 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR6 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR5 MATCHES PARAMETER TYPE NAME CR* Info: TIME FOR READING PSF FILE: 1.37772 Info: Reading pdb file 1qhj_water_QwikMD.pdb Info: TIME FOR READING PDB FILE: 0.281218 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 = 1.03188 g/cm^3 Info: ATOM DENSITY = 0.10176 atoms/A^3 Info: ***************************** Info: Reading from binary file MD.2.restart.coor Info: Info: Entering startup at 2.50808 s, 145.551 MB of memory in use Info: Startup phase 0 took 0.000355279 s, 145.574 MB of memory in use Info: ADDED 72885 IMPLICIT EXCLUSIONS Info: Startup phase 1 took 0.092843 s, 155.328 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 0.0101504 s, 159.891 MB of memory in use Info: Startup phase 3 took 0.000215876 s, 160.055 MB of memory in use Info: Startup phase 4 took 0.00148165 s, 162.719 MB of memory in use Info: Startup phase 5 took 0.000220689 s, 162.781 MB of memory in use Info: REDUCING NUMBER OF PATCHES TO IMPROVE LOAD BALANCE Info: PATCH GRID IS 7 (PERIODIC) BY 4 (PERIODIC) BY 5 (PERIODIC) Info: PATCH GRID IS 2-AWAY BY 1-AWAY BY 1-AWAY Info: Reading from binary file MD.2.restart.vel Info: REMOVING COM VELOCITY 0.00115021 0.0512969 0.026394 Info: LARGEST PATCH (46) HAS 445 ATOMS Info: TORUS A SIZE 24 USING 19 Info: TORUS B SIZE 24 USING 2 3 Info: TORUS C SIZE 24 USING 17 18 20 21 22 Info: TORUS MINIMAL MESH SIZE IS 1 BY 2 BY 6 Info: Placed 100% of base nodes on same physical node as patch Info: Startup phase 6 took 0.0616631 s, 174.18 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 0.543596 s, 175.266 MB of memory in use Info: Startup phase 8 took 0.0027086 s, 174.891 MB of memory in use LDB: Central LB being created... Info: Startup phase 9 took 0.00236906 s, 175.152 MB of memory in use Info: CREATING 5174 COMPUTE OBJECTS CUDA device 0 stream priority range 0 -1 Info: Found 309 unique exclusion lists needing 1048 bytes Pe 3 hosts 0 local and 6 remote patches for pe 4 Pe 6 hosts 0 local and 6 remote patches for pe 4 Pe 5 hosts 0 local and 7 remote patches for pe 4 Pe 2 hosts 0 local and 4 remote patches for pe 4 Pe 1 hosts 0 local and 6 remote patches for pe 4 Pe 4 hosts 0 local and 7 remote patches for pe 4 Pe 0 hosts 0 local and 4 remote patches for pe 4 Pe 11 hosts 0 local and 6 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 Pe 10 hosts 0 local and 4 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 Info: Startup phase 10 took 0.0322922 s, 181.016 MB of memory in use Info: Building spanning tree ... send: 1 recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 Info: Startup phase 11 took 0.000413397 s, 181.395 MB of memory in use Info: Startup phase 12 took 8.457e-05 s, 181.395 MB of memory in use Info: Finished startup at 3.25648 s, 181.395 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 -193.56 -75.955 72.6175 -75.9546 -106.446 -86.7029 72.6176 -86.7055 -270.834 GPRESSURE: 0 -168.043 -39.7972 149.673 -80.7304 -94.6989 -67.2171 22.8144 -24.2343 -208.891 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 0 728.9808 2073.0889 1952.1407 107.2883 -205842.4635 17503.8419 0.0000 0.0000 34124.4808 -149352.6419 298.0176 -183477.1228 -149255.5168 298.0176 -190.2801 -157.2111 556979.3144 -190.2801 -157.2111 OPENING EXTENDED SYSTEM TRAJECTORY FILE LDB: ============= START OF LOAD BALANCING ============== 3.35251 LDB: ============== END OF LOAD BALANCING =============== 3.35271 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3.3543 LDB: ============= START OF LOAD BALANCING ============== 3.64604 LDB: Largest compute 4773 load 0.025158 is 26.5% of average load 0.094877 LDB: Average compute 0.001433 is 1.5% of average load 0.094877 LDB: Partitioning computes with target load 0.009488 LDB: Increased migratable compute count from 840 to 840 LDB: Largest unpartitionable compute is 0.025158 LDB: ============== END OF LOAD BALANCING =============== 3.65003 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3.65433 Info: Initial time: 140 CPUs 0.00376744 s/step 0.0218023 days/ns 195.16 MB memory LDB: ============= START OF LOAD BALANCING ============== 3.71565 LDB: ============== END OF LOAD BALANCING =============== 3.71581 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3.71744 LDB: ============= START OF LOAD BALANCING ============== 3.96435 LDB: Largest compute 4773 load 0.024749 is 25.9% of average load 0.095466 LDB: Average compute 0.001410 is 1.5% of average load 0.095466 LDB: TIME 3.9666 LOAD: AVG 0.0954662 MAX 0.194226 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 194.391 MB LDB: TIME 3.96778 LOAD: AVG 0.0954662 MAX 0.167621 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 TorusLB MEM: 194.641 MB LDB: ============== END OF LOAD BALANCING =============== 3.9708 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3.97491 PRESSURE: 200 -206.437 1.77322 -64.1463 1.77291 -148.968 171.168 -64.1468 171.168 -159.659 GPRESSURE: 200 -171.256 -44.652 -67.1603 30.6754 -117.072 145.753 32.7649 156.324 -118.424 PRESSAVG: 200 39.9714 -30.9146 -3.33106 -30.9145 -72.6328 9.50877 -3.33108 9.50864 61.7577 GPRESSAVG: 200 39.9887 -33.3707 -5.68056 -29.4045 -72.2953 9.94551 -0.945748 8.7651 60.9632 Info: Initial time: 140 CPUs 0.00307467 s/step 0.0177932 days/ns 196.551 MB memory TIMING: 200 CPU: 0.758254, 0.00353495/step Wall: 0.758254, 0.00353495/step, 4.90945 hours remaining, 196.550781 MB of memory in use. ENERGY: 200 779.8602 2054.4525 1968.3360 104.8440 -206132.0666 17709.3739 0.0000 0.0000 34248.5548 -149266.6452 299.1011 -183515.2000 -149164.4130 299.5075 -171.6880 -135.5840 557510.7943 9.6988 9.5522 LDB: ============= START OF LOAD BALANCING ============== 4.27596 LDB: Largest compute 4773 load 0.030368 is 25.2% of average load 0.120388 LDB: Average compute 0.001746 is 1.5% of average load 0.120388 LDB: TIME 4.27831 LOAD: AVG 0.120388 MAX 0.206902 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 196.551 MB LDB: TIME 4.27859 LOAD: AVG 0.120388 MAX 0.206902 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 196.586 MB LDB: TIME 4.27869 LOAD: AVG 0.120388 MAX 0.206902 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 196.586 MB LDB: ============== END OF LOAD BALANCING =============== 4.28034 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4.28443 Info: Initial time: 140 CPUs 0.0030076 s/step 0.0174051 days/ns 195.793 MB memory LDB: ============= START OF LOAD BALANCING ============== 4.58332 LDB: Largest compute 4773 load 0.030877 is 25.8% of average load 0.119868 LDB: Average compute 0.001736 is 1.4% of average load 0.119868 LDB: TIME 4.58558 LOAD: AVG 0.119868 MAX 0.205047 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 195.996 MB LDB: TIME 4.58586 LOAD: AVG 0.119868 MAX 0.205047 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 195.996 MB LDB: TIME 4.58597 LOAD: AVG 0.119868 MAX 0.205047 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 195.996 MB LDB: ============== END OF LOAD BALANCING =============== 4.58767 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4.59191 PRESSURE: 400 118.061 -90.4547 15.1242 -90.4545 -142.987 -52.8122 15.1231 -52.8147 -158.538 GPRESSURE: 400 161.394 -173.775 35.9678 -112.741 -135.605 -125.365 43.3457 -99.8497 -118.526 PRESSAVG: 400 -8.17325 -12.9429 11.9102 -12.943 -18.8947 -18.3597 11.91 -18.3598 5.72242 GPRESSAVG: 400 -7.29263 -10.6268 12.6094 -14.3865 -20.1724 -18.3147 12.0361 -18.1284 5.91305 Info: Benchmark time: 140 CPUs 0.00298912 s/step 0.0172981 days/ns 196.844 MB memory TIMING: 400 CPU: 1.37525, 0.00308499/step Wall: 1.37525, 0.00308499/step, 4.28436 hours remaining, 196.843750 MB of memory in use. ENERGY: 400 741.8141 2103.9949 1972.9001 104.5851 -206111.8152 17805.8113 0.0000 0.0000 34310.6725 -149072.0372 299.6436 -183382.7097 -148973.0812 298.8127 -61.1549 -30.9124 558961.0464 -7.1152 -7.1840 Info: Benchmark time: 140 CPUs 0.00300122 s/step 0.0173682 days/ns 196.844 MB memory PRESSURE: 600 -139.187 -234.272 13.6239 -234.271 13.557 -66.409 13.6238 -66.4069 340.252 GPRESSURE: 600 -118.399 -144.006 -3.12986 -190.69 68.5009 -39.1563 57.451 -10.9846 348.219 PRESSAVG: 600 10.8817 -11.6255 7.17472 -11.6255 -28.7605 11.3544 7.1747 11.3544 31.1522 GPRESSAVG: 600 10.4322 -9.98284 8.42462 -12.1764 -28.4557 10.3978 5.85083 11.6087 31.3672 Info: Benchmark time: 140 CPUs 0.00300233 s/step 0.0173746 days/ns 196.844 MB memory TIMING: 600 CPU: 1.9758, 0.00300276/step Wall: 1.9758, 0.00300276/step, 4.17 hours remaining, 196.843750 MB of memory in use. ENERGY: 600 748.3684 2050.6977 1967.4351 122.8542 -206388.6880 17950.2981 0.0000 0.0000 34432.1904 -149116.8442 300.7049 -183549.0346 -149020.0700 300.0077 71.5405 99.4403 558011.3672 4.4245 4.4479 Info: Benchmark time: 140 CPUs 0.00299624 s/step 0.0173393 days/ns 196.844 MB memory PRESSURE: 800 -23.608 -89.0443 12.7138 -89.0449 -103.498 1.02554 12.7135 1.02739 -191.825 GPRESSURE: 800 26.2994 1.77509 -43.0595 -109.34 -89.4852 88.687 37.3658 -37.8752 -173.64 PRESSAVG: 800 47.5562 2.20519 18.9579 2.2052 -67.1548 22.584 18.958 22.5839 38.0145 GPRESSAVG: 800 48.2385 2.62667 17.6312 -0.529894 -67.6017 21.8367 17.2282 24.1161 37.5619 Info: Benchmark time: 140 CPUs 0.00293934 s/step 0.0170101 days/ns 196.844 MB memory TIMING: 800 CPU: 2.56956, 0.00296878/step Wall: 2.56956, 0.00296878/step, 4.12264 hours remaining, 196.843750 MB of memory in use. ENERGY: 800 761.1311 2059.0736 1953.7153 108.4795 -206077.6634 17623.2785 0.0000 0.0000 34389.4820 -149182.5033 300.3319 -183571.9853 -149082.6503 299.5991 -106.3106 -78.9418 557216.5633 6.1386 6.0662 Info: Benchmark time: 140 CPUs 0.00294336 s/step 0.0170334 days/ns 196.844 MB memory PRESSURE: 1000 254.869 58.7549 68.2489 58.7554 -193.269 39.995 68.2504 39.9948 -26.5908 GPRESSURE: 1000 291.619 -28.8409 57.456 111.393 -203.348 2.15594 81.3309 54.1132 40.2289 PRESSAVG: 1000 16.8807 -10.4843 -17.3493 -10.4842 -11.1544 63.7828 -17.3492 63.7828 -12.1486 GPRESSAVG: 1000 16.0644 -14.9246 -15.3855 -7.70277 -10.8882 65.8424 -15.885 62.3282 -11.6874 TIMING: 1000 CPU: 3.15953, 0.00294986/step Wall: 3.15953, 0.00294986/step, 4.0962 hours remaining, 196.843750 MB of memory in use. ENERGY: 1000 753.9684 2109.7740 1975.9721 108.4797 -206065.2309 17792.1933 0.0000 0.0000 34262.4766 -149062.3668 299.2227 -183324.8434 -148972.0694 299.0518 11.6696 42.8331 556875.5578 -2.1408 -2.1704 PRESSURE: 1200 35.2198 28.7179 117.237 28.7189 -238.522 -135.107 117.238 -135.108 -80.8604 GPRESSURE: 1200 61.0419 40.6557 90.8692 40.4526 -190.805 -78.4102 121.777 -136.955 -69.7307 PRESSAVG: 1200 62.1473 25.4786 -0.755456 25.4786 -7.22946 -8.82552 -0.755422 -8.82553 -38.4185 GPRESSAVG: 1200 61.0585 27.6567 -2.87098 25.5963 -6.31651 -10.2697 0.719829 -9.92446 -38.4882 TIMING: 1200 CPU: 3.75173, 0.002961/step Wall: 3.75173, 0.002961/step, 4.11151 hours remaining, 196.906250 MB of memory in use. ENERGY: 1200 750.1384 2095.5079 1995.0381 122.8786 -206078.7908 17777.8049 0.0000 0.0000 34329.0248 -149008.3983 299.8039 -183337.4230 -148910.4670 299.3702 -94.7207 -66.4980 557700.8847 5.4998 5.4179 PRESSURE: 1400 -291.394 107.861 -86.1753 107.861 -77.5023 95.9383 -86.1746 95.9396 -237.549 GPRESSURE: 1400 -239.653 63.0506 -203.275 152.514 -50.4143 21.8819 14.4994 119.853 -219.254 PRESSAVG: 1400 -17.5303 -18.6707 -14.0692 -18.6706 -13.5737 -11.9952 -14.0692 -11.9951 35.3074 GPRESSAVG: 1400 -16.8953 -17.3223 -15.5472 -19.8297 -13.064 -12.8788 -13.4252 -10.1831 34.1217 TIMING: 1400 CPU: 4.34944, 0.00298856/step Wall: 4.34944, 0.00298856/step, 4.14962 hours remaining, 196.906250 MB of memory in use. ENERGY: 1400 749.5178 2083.0484 1957.8372 109.3040 -206222.8665 17617.0827 0.0000 0.0000 34541.2387 -149164.8378 301.6572 -183706.0766 -149072.5945 299.8463 -202.1484 -169.7739 557836.7090 1.4011 1.3875 PRESSURE: 1600 -172.105 16.3288 122.685 16.3279 62.2449 -68.4456 122.685 -68.4453 -134.091 GPRESSURE: 1600 -196.923 59.3128 101.419 25.4251 72.1115 -36.2813 51.8109 -71.5251 -23.5 PRESSAVG: 1600 -62.9346 -23.2943 -42.0233 -23.2943 -19.8169 29.3713 -42.0234 29.3714 71.8311 GPRESSAVG: 1600 -62.7251 -25.9368 -39.6631 -22.5525 -20.6147 33.8139 -44.1464 26.9511 72.4977 TIMING: 1600 CPU: 4.94625, 0.00298402/step Wall: 4.94625, 0.00298402/step, 4.14315 hours remaining, 196.906250 MB of memory in use. ENERGY: 1600 758.1133 2113.1751 1958.1481 109.4554 -205831.6042 17510.3391 0.0000 0.0000 34204.7924 -149177.5808 298.7190 -183382.3732 -149076.8800 299.2348 -81.3170 -49.4370 558544.3123 -3.6401 -3.6140 PRESSURE: 1800 -39.2483 136.741 145.907 136.742 17.0448 -3.13639 145.907 -3.13602 237.313 GPRESSURE: 1800 -56.2268 128.069 137.426 129.666 117.619 -24.056 150.498 3.87551 244.366 PRESSAVG: 1800 -47.1933 -34.6465 31.4714 -34.6464 -10.9978 -38.3481 31.4713 -38.3481 56.4808 GPRESSAVG: 1800 -46.7476 -32.2455 32.2178 -36.0768 -10.7935 -41.2337 31.0495 -37.1215 56.0999 TIMING: 1800 CPU: 5.54461, 0.00299183/step Wall: 5.54461, 0.00299183/step, 4.15382 hours remaining, 196.906250 MB of memory in use. ENERGY: 1800 752.6653 2120.7796 1978.5606 118.4425 -206156.1267 17951.9168 0.0000 0.0000 34014.6814 -149219.0805 297.0587 -183233.7619 -149123.3422 299.2127 71.7031 101.9194 557802.6162 -0.5701 -0.4804 PRESSURE: 2000 -233.88 38.355 68.8464 38.3546 229.156 -43.6337 68.8476 -43.635 -15.2435 GPRESSURE: 2000 -199.704 67.4929 107.561 96.8664 229.671 -57.643 36.0701 -26.8398 34.1875 PRESSAVG: 2000 -32.2177 4.95328 -10.1477 4.9533 30.0755 10.3231 -10.1476 10.3232 -2.16284 GPRESSAVG: 2000 -32.8542 4.02163 -10.1581 7.4095 30.6614 11.8975 -9.85535 9.32612 -1.27003 TIMING: 2000 CPU: 6.14136, 0.00298373/step Wall: 6.14136, 0.00298373/step, 4.14241 hours remaining, 196.906250 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: 2000 749.1821 2056.2161 1951.5625 111.9590 -206275.9243 17818.2650 0.0000 0.0000 34444.5643 -149144.1752 300.8129 -183588.7395 -149041.2629 300.0949 -6.6559 21.3847 557532.8475 -1.4350 -1.1543 PRESSURE: 2200 -23.6666 -42.3582 154.07 -42.3566 -271.037 -1.86758 154.069 -1.86637 -301.554 GPRESSURE: 2200 -4.29107 -64.746 172.053 14.5141 -245.086 145.749 176.244 -92.6619 -278.192 PRESSAVG: 2200 -22.2553 25.6112 44.9281 25.6111 36.4868 33.9641 44.9281 33.964 -4.14724 GPRESSAVG: 2200 -21.0083 24.7852 45.8953 25.0734 35.2157 35.4479 45.4149 32.8748 -3.9268 TIMING: 2200 CPU: 6.74051, 0.00299575/step Wall: 6.74051, 0.00299575/step, 4.15893 hours remaining, 196.925781 MB of memory in use. ENERGY: 2200 751.4254 2075.8611 1977.4891 120.0054 -206002.9125 17452.8437 0.0000 0.0000 34408.0611 -149217.2268 300.4942 -183625.2879 -149116.3427 299.6722 -198.7525 -175.8566 558227.5282 3.3614 3.4269 PRESSURE: 2400 -98.9153 -35.8314 87.8856 -35.8311 -203.431 184.816 87.8854 184.815 169.38 GPRESSURE: 2400 -10.5549 -76.6134 103.775 11.8638 -171.343 167.665 110.884 257.678 126.004 PRESSAVG: 2400 84.0086 -22.9214 27.3569 -22.9215 -70.43 14.4337 27.3569 14.4336 -58.5824 GPRESSAVG: 2400 83.1462 -24.6061 27.7079 -22.4869 -69.6921 14.2119 26.5338 16.4274 -58.8753 TIMING: 2400 CPU: 7.34327, 0.00301381/step Wall: 7.34327, 0.00301381/step, 4.18384 hours remaining, 196.980469 MB of memory in use. ENERGY: 2400 740.1214 2141.4390 1945.4822 114.2773 -206324.6259 17785.0679 0.0000 0.0000 34156.1272 -149442.1108 298.2940 -183598.2380 -149338.0329 299.5257 -44.3224 -18.6312 557767.8326 -15.0013 -15.1404 PRESSURE: 2600 16.997 19.2392 40.0235 19.2393 45.9696 51.4262 40.0238 51.4256 -43.7127 GPRESSURE: 2600 23.064 -32.7569 6.84617 12.4196 99.0709 80.3201 76.3995 55.2678 -12.1735 PRESSAVG: 2600 8.13439 -40.7351 42.1001 -40.7351 -13.2559 -23.7078 42.1 -23.7079 9.87164 GPRESSAVG: 2600 9.04477 -39.7257 40.5875 -41.5767 -13.7862 -25.8903 42.5105 -23.8496 9.18761 TIMING: 2600 CPU: 7.93802, 0.00297377/step Wall: 7.93802, 0.00297377/step, 4.12809 hours remaining, 197.046875 MB of memory in use. ENERGY: 2600 740.9446 2086.1438 1918.4810 122.0993 -206293.8475 17730.0073 0.0000 0.0000 34244.6514 -149451.5200 299.0671 -183696.1714 -149350.6183 298.7615 6.4180 36.6538 556295.2686 1.5834 1.4821 PRESSURE: 2800 97.6461 -11.7674 -6.18327 -11.7688 -78.1965 -50.4311 -6.18297 -50.4303 -157.731 GPRESSURE: 2800 68.5249 -101.026 -21.5563 14.9724 41.7263 -30.6401 -89.4189 -141.723 -153.346 PRESSAVG: 2800 58.5207 -1.22959 -0.420441 -1.22967 -20.9604 12.1406 -0.420446 12.1405 -18.0861 GPRESSAVG: 2800 57.4231 -1.62528 -0.147316 -1.19649 -19.9326 12.4413 0.277731 10.4119 -17.9686 TIMING: 2800 CPU: 8.53208, 0.0029703/step Wall: 8.53208, 0.0029703/step, 4.12311 hours remaining, 197.046875 MB of memory in use. ENERGY: 2800 758.9326 2113.5418 1943.4186 108.5968 -206201.2470 17664.7323 0.0000 0.0000 34256.1288 -149355.8961 299.1673 -183612.0249 -149256.5582 298.9199 -46.0939 -14.3651 555671.5898 6.4914 6.5073 PRESSURE: 3000 30.187 123.534 84.086 123.534 -59.4345 -72.7132 84.0852 -72.713 -83.7547 GPRESSURE: 3000 -0.437242 67.6735 9.79419 158.843 55.6629 -113.757 39.3002 -26.0577 -81.6604 PRESSAVG: 3000 48.9739 -23.9261 14.8767 -23.9261 -19.7635 -35.6755 14.8767 -35.6755 -19.3825 GPRESSAVG: 3000 50.3818 -23.3181 12.9595 -23.8193 -20.9225 -35.7669 16.6407 -32.4648 -19.6963 TIMING: 3000 CPU: 9.12755, 0.00297732/step Wall: 9.12755, 0.00297732/step, 4.13269 hours remaining, 197.046875 MB of memory in use. ENERGY: 3000 743.9969 2146.8793 1946.3361 116.0905 -206262.1546 17832.8336 0.0000 0.0000 34201.0197 -149274.9985 298.6860 -183476.0183 -149176.6840 299.1305 -37.6674 -8.8116 556838.7210 3.2760 3.2543 PRESSURE: 3200 141.013 11.0733 130.69 11.0731 -12.4322 -48.5173 130.69 -48.5181 -210.875 GPRESSURE: 3200 164.705 13.206 82.3567 -51.4168 6.55059 58.4755 148.432 -134.099 -156.762 PRESSAVG: 3200 -12.4529 -0.91001 35.4313 -0.910004 -32.6446 -12.4325 35.4313 -12.4325 27.307 GPRESSAVG: 3200 -13.1669 -1.10906 36.2191 -0.824669 -31.5544 -12.5324 35.4848 -13.351 26.5881 TIMING: 3200 CPU: 9.72335, 0.002979/step Wall: 9.72335, 0.002979/step, 4.13486 hours remaining, 197.046875 MB of memory in use. ENERGY: 3200 719.6430 2113.5764 1967.5601 120.8456 -206388.6528 17727.2369 0.0000 0.0000 34433.3386 -149306.4521 300.7149 -183739.7907 -149206.3248 299.5299 -27.4312 4.8312 557490.8165 -5.9302 -6.0444 PRESSURE: 3400 -106.454 28.8882 -161.887 28.888 119.233 37.7206 -161.889 37.7219 -79.5027 GPRESSURE: 3400 -95.3152 32.8425 -143.596 9.22835 147.476 -6.74155 -126.329 60.2177 -38.5417 PRESSAVG: 3400 -19.7348 -52.5528 -32.8788 -52.5527 73.1603 -34.2488 -32.8789 -34.2488 -37.127 GPRESSAVG: 3400 -20.3423 -52.587 -31.5991 -51.5323 72.8303 -35.3787 -35.5315 -34.7299 -36.6069 TIMING: 3400 CPU: 10.3117, 0.00294193/step Wall: 10.3117, 0.00294192/step, 4.08323 hours remaining, 197.046875 MB of memory in use. ENERGY: 3400 733.1548 2100.3928 1950.2064 120.4440 -206342.3885 17725.9612 0.0000 0.0000 34298.0224 -149414.2068 299.5332 -183712.2292 -149313.1053 299.1061 -22.2411 4.5396 556395.0285 5.4328 5.2937 PRESSURE: 3600 -182.032 -47.2449 66.2256 -47.2454 -314.1 49.7375 66.2271 49.7392 -205.585 GPRESSURE: 3600 -120.61 -44.7653 199.183 -58.9062 -276.034 103.643 0.436798 54.383 -221.406 PRESSAVG: 3600 34.681 22.2477 8.88265 22.2475 -20.5728 12.7402 8.88268 12.7401 30.5295 GPRESSAVG: 3600 33.8046 22.7097 9.66856 21.2148 -20.7202 16.3462 8.61268 12.9361 31.5471 TIMING: 3600 CPU: 10.9026, 0.00295446/step Wall: 10.9026, 0.00295446/step, 4.10047 hours remaining, 197.046875 MB of memory in use. ENERGY: 3600 722.4117 2017.7683 1930.1256 107.4539 -206111.0370 17515.5056 0.0000 0.0000 34134.2798 -149683.4921 298.1032 -183817.7719 -149580.5870 299.0771 -233.9057 -206.0166 556691.9853 14.8792 14.8772 PRESSURE: 3800 277.813 -77.822 17.6653 -77.8213 -194.081 60.8807 17.665 60.8806 32.9526 GPRESSURE: 3800 321.57 -73.4415 -19.0508 -48.9155 -141.195 11.9279 5.16559 99.908 32.9691 PRESSAVG: 3800 68.6653 -23.9246 -66.7517 -23.9246 -113.686 -30.178 -66.7517 -30.1779 10.6445 GPRESSAVG: 3800 70.7168 -23.34 -68.3115 -24.8366 -113.383 -32.7464 -64.8897 -29.5155 8.79603 TIMING: 3800 CPU: 11.4954, 0.00296397/step Wall: 11.4954, 0.00296397/step, 4.1135 hours remaining, 197.046875 MB of memory in use. ENERGY: 3800 718.1060 2084.2623 1931.9900 103.4400 -206569.7982 17947.6505 0.0000 0.0000 34220.5236 -149563.8258 298.8563 -183784.3494 -149465.0162 298.2557 38.8950 71.1149 556819.3364 -11.4587 -11.2899 PRESSURE: 4000 80.2474 -17.3971 -61.5029 -17.3981 -201.793 199.325 -61.5025 199.328 -11.8421 GPRESSURE: 4000 67.1877 -56.6839 -46.0286 17.886 -193.825 84.988 -78.1764 186.588 85.5883 PRESSAVG: 4000 28.8064 6.71309 -17.3098 6.7131 -54.1115 -21.7844 -17.3098 -21.7843 -0.147013 GPRESSAVG: 4000 28.7067 7.83616 -16.7948 6.67715 -55.2769 -22.4723 -17.5513 -22.7282 0.760982 TIMING: 4000 CPU: 12.0899, 0.00297249/step Wall: 12.0899, 0.00297249/step, 4.12516 hours remaining, 197.046875 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: 4000 761.5687 2108.4264 1948.2853 132.7464 -206096.8075 17737.0022 0.0000 0.0000 33912.1600 -149496.6185 296.1633 -183408.7786 -149396.9593 298.4642 -44.4627 -13.6831 557224.3824 -8.4840 -8.6031 PRESSURE: 4200 135.635 -88.0455 -102.52 -88.0456 235.567 -62.4205 -102.521 -62.4205 124.928 GPRESSURE: 4200 160.381 -130.013 -39.9645 -32.4777 235.03 -37.2916 -116.29 -55.8599 175.885 PRESSAVG: 4200 35.2445 -8.7551 23.6684 -8.75508 -101.424 -47.9274 23.6684 -47.9275 63.5832 GPRESSAVG: 4200 34.1212 -9.75017 25.6241 -7.918 -100.025 -49.2812 23.2672 -47.872 63.3031 TIMING: 4200 CPU: 12.6875, 0.00298812/step Wall: 12.6875, 0.00298812/step, 4.14668 hours remaining, 197.058594 MB of memory in use. ENERGY: 4200 750.4953 2013.6499 1946.9597 124.2145 -206929.1996 18233.9785 0.0000 0.0000 34355.2344 -149504.6673 300.0328 -183859.9017 -149404.0874 298.2453 165.3763 190.4322 557768.9679 -0.8654 -0.8669 LDB: ============= START OF LOAD BALANCING ============== 16.205 LDB: ============== END OF LOAD BALANCING =============== 16.2052 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 16.2067 LDB: ============= START OF LOAD BALANCING ============== 16.5065 LDB: Largest compute 4773 load 0.030317 is 25.8% of average load 0.117427 LDB: Average compute 0.001732 is 1.5% of average load 0.117427 LDB: TIME 16.5088 LOAD: AVG 0.117427 MAX 0.206028 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 196.922 MB LDB: TIME 16.5091 LOAD: AVG 0.117427 MAX 0.206028 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 196.922 MB LDB: TIME 16.5092 LOAD: AVG 0.117427 MAX 0.206028 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 196.922 MB LDB: ============== END OF LOAD BALANCING =============== 16.5111 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 16.5153 PRESSURE: 4400 119.596 -68.1553 -67.4639 -68.1562 -278.406 -238.594 -67.4638 -238.592 -72.9094 GPRESSURE: 4400 98.4183 -62.417 37.0416 -126.927 -197.505 -229.974 -140.549 -293.846 -38.7223 PRESSAVG: 4400 11.59 -18.2746 -29.0807 -18.2746 -73.8929 1.46664 -29.0807 1.46667 37.7642 GPRESSAVG: 4400 12.6816 -18.705 -28.0757 -19.304 -74.7507 4.74548 -30.2982 1.79072 37.6057 TIMING: 4400 CPU: 13.2986, 0.00305542/step Wall: 13.2986, 0.00305542/step, 4.23991 hours remaining, 195.539062 MB of memory in use. ENERGY: 4400 767.3749 1998.2846 1934.9043 115.0965 -205902.8605 17592.9048 0.0000 0.0000 34150.0538 -149344.2416 298.2409 -183494.2954 -149245.9910 299.2054 -77.2397 -45.9363 558699.5680 -8.1796 -8.1545 PRESSURE: 4600 49.7741 -42.9527 -63.6898 -42.9537 -126.136 161.353 -63.6893 161.352 106.327 GPRESSURE: 4600 97.4301 1.63463 -2.71903 -76.1069 -130.065 119.156 -97.0866 85.6296 162.469 PRESSAVG: 4600 -51.5755 -11.8934 -6.93285 -11.8934 5.09872 34.4644 -6.93277 34.4644 29.0527 GPRESSAVG: 4600 -52.5017 -11.4108 -10.1819 -10.7143 6.13971 32.7985 -4.77919 34.3673 29.2848 TIMING: 4600 CPU: 13.8892, 0.00295284/step Wall: 13.8892, 0.00295284/step, 4.09739 hours remaining, 195.539062 MB of memory in use. ENERGY: 4600 698.5346 2068.8533 1925.9718 118.0658 -206274.9515 17678.2079 0.0000 0.0000 34078.7890 -149706.5291 297.6185 -183785.3181 -149606.9093 297.8199 9.9884 43.2779 556199.5961 -5.8080 -5.6924 PRESSURE: 4800 -57.8009 -34.6829 -54.9096 -34.6827 1.29996 3.97107 -54.9105 3.97002 390.871 GPRESSURE: 4800 13.4532 18.7944 -10.6059 -15.4871 47.969 58.7686 -22.6984 -6.35643 364.729 PRESSAVG: 4800 -29.7393 8.64797 23.4754 8.64797 -54.4689 48.5257 23.4753 48.5257 149.747 GPRESSAVG: 4800 -30.3932 11.1249 23.3296 8.37256 -55.6676 48.3243 24.0074 49.0473 151.42 TIMING: 4800 CPU: 14.4787, 0.00294752/step Wall: 14.4787, 0.00294752/step, 4.08985 hours remaining, 195.539062 MB of memory in use. ENERGY: 4800 757.7232 2058.2670 1948.9506 98.4069 -206744.8440 18244.4434 0.0000 0.0000 33864.4883 -149772.5645 295.7470 -183637.0529 -149668.0320 297.4479 111.4568 142.0504 555937.7188 21.8463 21.7865 PRESSURE: 5000 60.0674 24.0976 -50.101 24.0977 -136.513 133.92 -50.1016 133.919 -198.789 GPRESSURE: 5000 80.6285 90.2319 -2.95342 -9.75775 -162.724 132.533 -79.3907 159.477 -105.971 PRESSAVG: 5000 -20.5351 14.1164 -9.24884 14.1164 -53.5024 71.2808 -9.24881 71.2807 55.5067 GPRESSAVG: 5000 -20.5611 14.5557 -6.92152 12.6942 -53.1987 71.3316 -12.1826 71.2403 55.478 TIMING: 5000 CPU: 15.0677, 0.00294491/step Wall: 15.0677, 0.00294491/step, 4.08606 hours remaining, 195.539062 MB of memory in use. ENERGY: 5000 757.9907 2031.8582 1945.8689 108.1744 -206692.2140 17753.4312 0.0000 0.0000 34174.3506 -149920.5401 298.4531 -184094.8907 -149822.2167 296.9222 -91.7450 -62.6888 555557.4244 -6.1769 -6.0939 PRESSURE: 5200 -118.013 -64.883 -142.26 -64.884 -34.0432 150.231 -142.26 150.228 -111.496 GPRESSURE: 5200 -88.8448 -85.9941 -146.54 -32.1394 0.990857 129.699 -137.947 84.808 -69.9629 PRESSAVG: 5200 -36.8052 2.06389 -3.0843 2.06379 10.0741 64.111 -3.08433 64.111 53.7356 GPRESSAVG: 5200 -35.933 -0.204827 -4.64527 2.94333 11.3555 64.9761 -1.29779 63.007 51.9116 TIMING: 5200 CPU: 15.6575, 0.00294928/step Wall: 15.6575, 0.00294928/step, 4.09196 hours remaining, 195.539062 MB of memory in use. ENERGY: 5200 752.2877 1970.2373 1928.4310 110.6784 -206601.9869 17853.8919 0.0000 0.0000 34315.3651 -149671.0955 299.6846 -183986.4607 -149577.2857 297.3649 -87.8507 -52.6056 556779.6907 9.0015 9.1114 PRESSURE: 5400 -13.0965 -171.842 -5.79612 -171.842 104.372 4.96196 -5.79519 4.96116 -217.661 GPRESSURE: 5400 45.7039 -189.592 -2.75089 -170.552 129.568 82.2751 82.8291 28.0771 -204.565 PRESSAVG: 5400 -1.21647 -27.4655 -12.3892 -27.4655 -18.7864 40.412 -12.3892 40.412 36.1511 GPRESSAVG: 5400 -1.17261 -26.2651 -12.9124 -26.6653 -19.588 41.211 -12.2081 40.8938 37.3029 TIMING: 5400 CPU: 16.2506, 0.0029655/step Wall: 16.2506, 0.0029655/step, 4.1143 hours remaining, 195.539062 MB of memory in use. ENERGY: 5400 736.4592 2044.6973 1939.3492 111.5957 -206882.7301 18059.6759 0.0000 0.0000 34150.3032 -149840.6497 298.2431 -183990.9529 -149745.2356 298.1774 -42.1287 -9.7646 556043.1645 5.3828 5.5141 PRESSURE: 5600 73.3772 -85.8473 -28.1286 -85.8459 50.4646 74.0116 -28.1283 74.01 11.4509 GPRESSURE: 5600 92.4217 -65.0333 -57.7028 -145.567 68.1 133.501 -33.1427 50.778 70.7987 PRESSAVG: 5600 3.05491 -23.8309 -2.34935 -23.8309 -14.044 62.7423 -2.34937 62.7423 25.7302 GPRESSAVG: 5600 2.13487 -23.7858 -0.962985 -27.1772 -13.3723 61.4897 -3.57898 62.9685 25.9672 TIMING: 5600 CPU: 16.8469, 0.0029812/step Wall: 16.8469, 0.0029812/step, 4.13592 hours remaining, 195.539062 MB of memory in use. ENERGY: 5600 728.2706 2053.2052 1989.7942 110.4731 -206317.2759 17766.6011 0.0000 0.0000 34027.2976 -149641.6341 297.1689 -183668.9317 -149544.4426 297.5854 45.0976 77.1068 557240.8792 4.9137 4.9099 PRESSURE: 5800 214.226 90.9368 137.394 90.9357 23.6935 -152.345 137.395 -152.346 -27.9079 GPRESSURE: 5800 205.141 64.312 154.229 67.6534 73.9626 -180.553 117.25 -130.493 28.3156 PRESSAVG: 5800 5.88787 4.1411 -1.29789 4.14109 15.2011 -30.8565 -1.29788 -30.8564 -21.2643 GPRESSAVG: 5800 5.94617 4.67785 -1.89391 5.99354 13.9039 -30.8792 -1.78187 -32.5729 -19.874 TIMING: 5800 CPU: 17.4419, 0.00297499/step Wall: 17.4419, 0.00297499/step, 4.12714 hours remaining, 195.554688 MB of memory in use. ENERGY: 5800 728.2748 2061.4730 1938.1111 112.2426 -206407.9932 18057.8800 0.0000 0.0000 33920.3924 -149589.6194 296.2352 -183510.0118 -149491.6686 298.3795 70.0040 102.4731 559174.2278 -0.0584 -0.0080 PRESSURE: 6000 132.332 -23.4211 152.429 -23.4208 -69.1372 72.0047 152.429 72.0045 -266.295 GPRESSURE: 6000 179.969 -56.0989 109.025 49.4518 5.56945 35.7413 199.417 -29.8749 -284.855 PRESSAVG: 6000 49.3883 44.5023 26.2843 44.5023 -41.1849 -8.37384 26.2844 -8.37383 14.8009 GPRESSAVG: 6000 49.4875 43.0002 25.838 46.8768 -38.808 -8.21959 28.9904 -7.5 12.4604 TIMING: 6000 CPU: 18.034, 0.00296063/step Wall: 18.034, 0.00296063/step, 4.10705 hours remaining, 195.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 6000 756.4131 2067.4942 1942.7430 119.1276 -206296.5359 17839.2157 0.0000 0.0000 34122.0871 -149449.4551 297.9967 -183571.5422 -149349.0490 297.9071 -67.7000 -33.1057 558690.2898 7.6681 7.7133 PRESSURE: 6200 119.313 -24.7364 101.472 -24.7359 170.019 188.49 101.472 188.489 31.9719 GPRESSURE: 6200 150.432 -86.6428 113.401 49.1417 191.863 247.61 117.604 157.076 80.7162 PRESSAVG: 6200 -12.8554 56.1101 14.9857 56.1102 41.7468 60.6008 14.9857 60.6007 -24.3434 GPRESSAVG: 6200 -11.8619 56.5769 15.1373 55.468 41.0672 58.88 14.804 63.736 -23.7928 TIMING: 6200 CPU: 18.6254, 0.00295719/step Wall: 18.6254, 0.00295719/step, 4.10211 hours remaining, 195.554688 MB of memory in use. ENERGY: 6200 765.2055 2111.2044 1925.7964 96.0602 -206428.8399 18107.4813 0.0000 0.0000 34038.5688 -149384.5233 297.2673 -183423.0921 -149283.3839 298.1291 107.1013 141.0035 556959.9900 1.5160 1.8042 PRESSURE: 6400 5.16808 -72.1316 -19.1228 -72.1314 150.556 86.8077 -19.123 86.8092 161.947 GPRESSURE: 6400 13.5715 -80.5508 -78.9113 -66.4978 157.436 71.3861 67.9455 134.179 246.751 PRESSAVG: 6400 28.7796 -4.28754 12.555 -4.28756 31.8879 49.0735 12.555 49.0735 -32.6355 GPRESSAVG: 6400 28.166 -4.58382 12.2519 -5.8992 31.3567 50.8781 12.7157 47.1928 -31.3508 TIMING: 6400 CPU: 19.2201, 0.0029733/step Wall: 19.2201, 0.0029733/step, 4.1243 hours remaining, 195.554688 MB of memory in use. ENERGY: 6400 743.8291 2098.2858 1916.2454 117.5323 -206147.0721 17989.7796 0.0000 0.0000 34119.4349 -149161.9648 297.9735 -183281.3998 -149078.4423 298.8725 105.8904 139.2528 557833.0063 9.3440 9.3906 PRESSURE: 6600 174.099 19.3375 140.284 19.338 -5.94502 201.925 140.285 201.924 39.0606 GPRESSURE: 6600 252.71 28.1534 191.723 -3.71611 -18.8011 135.141 161.237 151.686 72.5103 PRESSAVG: 6600 34.7624 -5.89061 -0.813294 -5.89057 -0.522708 27.2611 -0.813333 27.2611 -37.155 GPRESSAVG: 6600 34.2971 -6.30278 0.700026 -5.00322 0.628374 25.0861 -2.53053 26.4038 -37.7968 TIMING: 6600 CPU: 19.816, 0.00297936/step Wall: 19.816, 0.00297936/step, 4.13254 hours remaining, 195.554688 MB of memory in use. ENERGY: 6600 729.4396 2067.6971 1949.0399 113.4950 -206218.8655 17852.5277 0.0000 0.0000 34416.5455 -149090.1208 300.5683 -183506.6662 -149001.1818 299.3837 69.0715 102.1397 557238.9072 -0.9718 -0.9571 PRESSURE: 6800 -215.071 -16.9569 152.711 -16.9564 105.849 -44.1325 152.711 -44.1328 36.9757 GPRESSURE: 6800 -230.789 -35.6526 149.054 -5.23472 111.547 29.3766 108.163 3.05581 151.109 PRESSAVG: 6800 43.195 -26.9045 42.1061 -26.9045 -17.5196 -0.92877 42.1061 -0.928648 -6.86131 GPRESSAVG: 6800 44.7435 -25.7152 41.3722 -27.0379 -20.1596 -0.78704 42.8844 -2.38129 -6.04111 TIMING: 6800 CPU: 20.4135, 0.00298758/step Wall: 20.4135, 0.00298758/step, 4.14378 hours remaining, 195.570312 MB of memory in use. ENERGY: 6800 764.6214 2063.5141 1925.0291 107.7293 -205795.2042 17576.3643 0.0000 0.0000 34278.5540 -149079.3920 299.3631 -183357.9459 -148983.0829 299.1113 -24.0822 10.6224 557842.0501 6.2714 6.1809 PRESSURE: 7000 13.3625 92.9521 92.3918 92.9515 -86.2385 38.083 92.3912 38.0837 99.6656 GPRESSURE: 7000 -9.04107 91.7872 180.797 43.1949 -55.9504 11.5006 -74.046 41.8206 189.115 PRESSAVG: 7000 -24.6289 3.21907 -6.54551 3.21915 78.8504 13.7389 -6.5454 13.7388 -4.613 GPRESSAVG: 7000 -25.3355 4.30093 -7.0771 2.60941 80.0469 16.059 -5.98557 14.2095 -5.62287 TIMING: 7000 CPU: 21.0096, 0.00298042/step Wall: 21.0096, 0.00298042/step, 4.13368 hours remaining, 195.570312 MB of memory in use. ENERGY: 7000 711.9159 2052.7448 1952.1662 131.8839 -205792.2244 17658.8973 0.0000 0.0000 34315.5066 -148969.1097 299.6859 -183284.6163 -148861.7341 299.5608 8.9299 41.3746 558144.9288 16.5362 16.3628 PRESSURE: 7200 9.61494 34.816 1.09182 34.8166 -95.6573 149.96 1.09153 149.96 -97.4278 GPRESSURE: 7200 14.8766 82.0497 -87.2855 52.1454 -19.999 108.586 -19.9015 13.8518 -74.6284 PRESSAVG: 7200 -84.432 9.3722 47.0201 9.37219 53.8818 23.0466 47.02 23.0468 73.195 GPRESSAVG: 7200 -84.2406 8.53009 49.3274 9.75667 53.6174 22.3666 46.9201 23.081 73.0295 TIMING: 7200 CPU: 21.6042, 0.00297308/step Wall: 21.6042, 0.00297308/step, 4.12333 hours remaining, 195.570312 MB of memory in use. ENERGY: 7200 766.7649 2098.4483 1959.9711 114.7677 -205781.1870 17572.9000 0.0000 0.0000 34155.8850 -149112.4501 298.2918 -183268.3351 -149019.1399 299.7671 -61.1567 -26.5836 556404.7875 14.2150 14.1354 PRESSURE: 7400 -118.817 47.1561 111.203 47.1556 -214.944 -47.071 111.202 -47.0711 -347.39 GPRESSURE: 7400 -101.121 87.5502 141.208 -41.288 -161.071 -15.1314 111 -28.136 -325.404 PRESSAVG: 7400 35.1969 42.6408 -13.4518 42.6408 -6.70461 -16.9923 -13.4519 -16.9922 -43.8943 GPRESSAVG: 7400 35.9452 41.2018 -12.5402 41.3266 -6.66625 -17.1599 -15.7781 -16.6037 -44.7236 TIMING: 7400 CPU: 22.2018, 0.00298815/step Wall: 22.2018, 0.00298815/step, 4.14407 hours remaining, 195.570312 MB of memory in use. ENERGY: 7400 784.8707 2111.5418 1953.2679 112.6562 -205739.0545 17333.4959 0.0000 0.0000 34199.4507 -149243.7712 298.6723 -183443.2219 -149151.8538 299.1178 -227.0503 -195.8656 557383.1108 -5.1340 -5.1482 PRESSURE: 7600 126.349 69.9063 -51.1739 69.907 142.748 -162.62 -51.1739 -162.62 -0.553692 GPRESSURE: 7600 186.974 23.7061 -62.0441 41.6592 176.029 -127.75 -49.0147 -194.335 5.64163 PRESSAVG: 7600 -31.2469 -11.0641 25.5567 -11.0641 57.0704 6.28207 25.5567 6.28214 7.71711 GPRESSAVG: 7600 -32.9812 -10.0746 23.203 -11.232 56.8023 4.6856 28.465 7.11522 9.27124 TIMING: 7600 CPU: 22.7986, 0.00298407/step Wall: 22.7986, 0.00298407/step, 4.13824 hours remaining, 195.570312 MB of memory in use. ENERGY: 7600 709.8141 2080.4873 1951.1975 119.8803 -206339.6132 17928.3325 0.0000 0.0000 34239.7362 -149310.1654 299.0241 -183549.9016 -149215.0839 299.3732 89.5144 122.8815 556589.8355 11.1802 11.0308 PRESSURE: 7800 -11.9996 3.18857 126.604 3.18716 -68.4854 -5.13962 126.603 -5.13937 149.051 GPRESSURE: 7800 53.9273 -50.9788 127.634 104.698 -55.3727 45.8607 149.947 -121.096 144.835 PRESSAVG: 7800 -59.6006 9.59041 4.08695 9.59032 28.6092 -35.6037 4.08685 -35.6036 66.7521 GPRESSAVG: 7800 -58.7606 10.1484 4.6253 12.2875 28.2922 -34.7158 3.05501 -37.3638 65.9023 TIMING: 7800 CPU: 23.3955, 0.00298453/step Wall: 23.3955, 0.00298453/step, 4.13871 hours remaining, 195.570312 MB of memory in use. ENERGY: 7800 711.2280 2163.9957 1962.4950 132.2281 -206095.4875 17720.9024 0.0000 0.0000 34136.0527 -149268.5855 298.1186 -183404.6383 -149175.0537 298.7811 22.8554 47.7966 557198.2608 11.9202 11.8113 PRESSURE: 8000 -18.2132 25.8583 44.9383 25.8597 27.175 102.032 44.9366 102.033 -108.327 GPRESSURE: 8000 -5.19293 83.8984 110.858 -22.6096 68.2532 75.2795 0.394488 130.519 -60.3852 PRESSAVG: 8000 19.7474 42.4983 58.0752 42.4983 9.13791 -28.4651 58.0752 -28.4652 -39.3495 GPRESSAVG: 8000 19.4231 41.9527 58.5049 39.9618 8.76211 -29.5139 59.9172 -30.3367 -38.6969 TIMING: 8000 CPU: 23.989, 0.00296747/step Wall: 23.989, 0.00296747/step, 4.11488 hours remaining, 195.570312 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: 8000 729.1960 2043.4279 1968.4711 120.2400 -206182.0347 17837.6563 0.0000 0.0000 34322.6442 -149160.3992 299.7482 -183483.0434 -149063.2077 299.4861 -33.1218 0.8917 558848.5557 -3.4880 -3.5039 PRESSURE: 8200 -237.844 -84.1288 -99.4944 -84.1299 -13.2015 -25.0346 -99.4956 -25.0338 -226.69 GPRESSURE: 8200 -196.413 -121.832 -133.466 -90.2373 16.4619 -1.46022 -101.884 -34.8057 -206.734 PRESSAVG: 8200 -53.8975 35.2934 -1.40557 35.2934 8.9883 -3.127 -1.40554 -3.12706 -38.4382 GPRESSAVG: 8200 -55.7701 37.2076 -1.28235 36.649 9.38595 -0.942218 -1.76198 -0.298685 -37.234 TIMING: 8200 CPU: 24.5814, 0.00296204/step Wall: 24.5814, 0.00296204/step, 4.1072 hours remaining, 195.562500 MB of memory in use. ENERGY: 8200 762.7500 1997.2177 1912.5870 119.3631 -206204.7497 17740.1544 0.0000 0.0000 34291.7411 -149380.9363 299.4783 -183672.6774 -149289.3763 299.2266 -159.2450 -128.8951 558483.2356 -27.7825 -27.8727 LDB: ============= START OF LOAD BALANCING ============== 28.0932 LDB: ============== END OF LOAD BALANCING =============== 28.0933 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 28.0948 LDB: ============= START OF LOAD BALANCING ============== 28.3905 LDB: Largest compute 4773 load 0.031236 is 26.6% of average load 0.117645 LDB: Average compute 0.001732 is 1.5% of average load 0.117645 LDB: TIME 28.3928 LOAD: AVG 0.117645 MAX 0.203208 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 196.625 MB LDB: TIME 28.3931 LOAD: AVG 0.117645 MAX 0.203208 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 196.629 MB LDB: TIME 28.3932 LOAD: AVG 0.117645 MAX 0.203208 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 196.629 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 28.395 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 28.399 PRESSURE: 8400 -164.014 -29.4086 83.2397 -29.4064 -68.3081 -31.0344 83.2413 -31.0353 -278.186 GPRESSURE: 8400 -133.371 10.3497 17.8438 -9.88632 -45.525 -5.51333 77.7827 17.2764 -229.284 PRESSAVG: 8400 -114.664 37.3467 16.9219 37.3468 118.424 -51.9458 16.922 -51.9459 -43.7559 GPRESSAVG: 8400 -113.564 35.7468 16.0667 37.5983 118 -52.6518 16.7044 -53.0019 -44.1891 TIMING: 8400 CPU: 25.1823, 0.00300416/step Wall: 25.1823, 0.00300416/step, 4.16544 hours remaining, 196.695312 MB of memory in use. ENERGY: 8400 720.7800 2129.7270 1977.6347 115.7710 -206107.4444 17703.0605 0.0000 0.0000 34264.7310 -149195.7401 299.2424 -183460.4711 -149097.9876 298.4154 -170.1694 -136.0599 559755.0038 -13.3320 -13.2510 PRESSURE: 8600 50.6631 -112.062 -104.75 -112.063 -354.689 -0.287741 -104.75 -0.288151 -143.379 GPRESSURE: 8600 131.137 -89.2626 -114.106 -195.26 -377.776 -1.16722 -132.829 -1.57719 -108.847 PRESSAVG: 8600 47.7198 -41.1228 20.9756 -41.1227 -64.0234 -35.1772 20.9757 -35.1773 40.0861 GPRESSAVG: 8600 47.661 -41.3426 21.2313 -42.2218 -63.4345 -32.6166 19.595 -37.4225 39.4114 TIMING: 8600 CPU: 25.7768, 0.00297251/step Wall: 25.7768, 0.00297251/step, 4.12138 hours remaining, 196.695312 MB of memory in use. ENERGY: 8600 755.4347 2052.7170 1972.3455 115.4740 -206203.1233 17635.2074 0.0000 0.0000 34511.8514 -149160.0932 301.4006 -183671.9446 -149060.6899 299.5208 -149.1348 -118.4955 558076.2762 7.9275 7.8793 PRESSURE: 8800 344.501 116.819 -55.5607 116.819 148.094 -171.708 -55.5607 -171.707 -61.8644 GPRESSURE: 8800 407.092 95.8772 -73.1887 89.3064 138.566 -245.67 -29.1929 -170.963 -19.3478 PRESSAVG: 8800 19.3817 -51.9776 -10.3422 -51.9776 66.5277 24.836 -10.3422 24.836 -29.6411 GPRESSAVG: 8800 19.0277 -51.9485 -9.53041 -52.2465 66.8524 21.3459 -8.57244 28.2434 -29.1172 TIMING: 8800 CPU: 26.3696, 0.00296437/step Wall: 26.3696, 0.00296437/step, 4.10993 hours remaining, 196.957031 MB of memory in use. ENERGY: 8800 754.6454 2094.5071 1950.9927 126.3815 -206480.9927 17980.5530 0.0000 0.0000 34260.4791 -149313.4339 299.2053 -183573.9130 -149204.1025 299.4278 143.5769 175.4368 558312.5675 18.7561 18.9209 PRESSURE: 9000 66.0822 -30.1838 149.387 -30.1838 -306.899 133.937 149.387 133.934 -160.752 GPRESSURE: 9000 85.2115 -23.1708 155.152 28.2279 -237.208 76.5211 124.908 219.411 -142.39 PRESSAVG: 9000 33.3214 -33.4694 5.5771 -33.4693 -11.5938 12.3974 5.57701 12.3976 -70.6446 GPRESSAVG: 9000 34.3147 -33.6006 5.46606 -33.7658 -11.7919 13.3553 3.377 11.4935 -71.1981 TIMING: 9000 CPU: 26.9692, 0.00299763/step Wall: 26.9692, 0.00299763/step, 4.15588 hours remaining, 196.957031 MB of memory in use. ENERGY: 9000 767.9886 2111.3497 1950.1138 116.1883 -206047.4148 17587.0725 0.0000 0.0000 34269.4635 -149245.2384 299.2837 -183514.7019 -149145.6015 298.4193 -133.8563 -98.1287 558792.4066 -16.3057 -16.2251 PRESSURE: 9200 373.711 25.0446 86.4733 25.0437 -13.187 -98.5647 86.4722 -98.5646 -25.7316 GPRESSURE: 9200 387.872 24.6007 99.3033 41.7135 -4.24903 -149.168 64.1301 -111.55 31.292 PRESSAVG: 9200 92.9194 4.32665 1.06214 4.32664 -44.0894 6.27174 1.06211 6.27163 -11.0502 GPRESSAVG: 9200 92.6034 3.7827 -0.974056 3.89768 -45.1712 5.94783 2.56206 4.7963 -10.0702 TIMING: 9200 CPU: 27.5675, 0.00299163/step Wall: 27.5675, 0.00299163/step, 4.14739 hours remaining, 196.957031 MB of memory in use. ENERGY: 9200 739.2633 2117.8156 1964.8488 105.9673 -206457.0506 18016.1932 0.0000 0.0000 34201.3008 -149311.6616 298.6885 -183512.9624 -149220.9181 299.2445 111.5973 138.3050 557838.6526 12.5933 12.4540 PRESSURE: 9400 33.7372 64.691 51.0555 64.692 -68.7956 69.6726 51.0559 69.6721 -3.30059 GPRESSURE: 9400 71.3126 37.1326 -30.2454 78.3106 -76.5797 50.0142 69.7246 76.925 49.5149 PRESSAVG: 9400 43.0283 -11.5921 7.13566 -11.5922 -70.9825 22.3523 7.13572 22.3525 -42.5032 GPRESSAVG: 9400 42.914 -12.269 8.62447 -10.5661 -70.2531 22.8018 6.31281 24.1197 -43.0522 TIMING: 9400 CPU: 28.1618, 0.00297171/step Wall: 28.1618, 0.00297171/step, 4.11962 hours remaining, 196.957031 MB of memory in use. ENERGY: 9400 754.3968 2084.4302 1954.6952 108.2951 -206159.3546 17594.4163 0.0000 0.0000 34373.2202 -149289.9008 300.1899 -183663.1210 -149186.4858 298.4522 -12.7863 14.7493 556852.7855 -23.4858 -23.4638 PRESSURE: 9600 -208.936 56.819 128.365 56.8192 -79.9319 170.826 128.365 170.827 -93.441 GPRESSURE: 9600 -177.861 24.2482 52.2481 32.6484 -20.6049 189.05 169.048 171.107 -101.626 PRESSAVG: 9600 -29.2117 33.815 -15.0763 33.8151 -46.6088 33.1325 -15.0763 33.1325 47.6089 GPRESSAVG: 9600 -29.0733 32.203 -16.4811 33.3157 -47.2627 34.3223 -13.2143 31.5037 48.401 TIMING: 9600 CPU: 28.7535, 0.00295824/step Wall: 28.7535, 0.00295824/step, 4.10078 hours remaining, 196.957031 MB of memory in use. ENERGY: 9600 772.2615 2040.4543 1956.8564 113.8964 -205935.9417 17655.6623 0.0000 0.0000 34225.6855 -149171.1254 298.9014 -183396.8109 -149080.9309 299.2908 -127.4362 -100.0306 556923.4804 -9.4038 -9.3117 PRESSURE: 9800 -53.8853 26.1376 68.1436 26.1374 48.5233 -78.3359 68.1441 -78.3357 239.349 GPRESSURE: 9800 -10.7467 -46.8627 35.462 18.4409 70.3179 -174.675 104.383 -56.2475 268.599 PRESSAVG: 9800 33.3457 4.37998 15.9351 4.37993 -65.2889 25.419 15.9352 25.419 34.7367 GPRESSAVG: 9800 33.9542 5.92118 17.8563 5.95458 -64.7529 24.4654 13.0898 25.6926 34.1468 TIMING: 9800 CPU: 29.3527, 0.00299614/step Wall: 29.3527, 0.00299614/step, 4.15315 hours remaining, 196.957031 MB of memory in use. ENERGY: 9800 717.8901 2049.4493 1955.3159 116.3863 -205983.1504 17802.2026 0.0000 0.0000 34118.2979 -149223.6083 297.9636 -183341.9062 -149132.4327 299.4054 77.9956 109.3902 555694.9281 0.9312 1.1160 PRESSURE: 10000 22.9211 -64.903 181.064 -64.9043 -240.658 49.0772 181.063 49.0764 -316.921 GPRESSURE: 10000 25.0386 -34.2966 164.987 -119.504 -220.278 55.3901 182.268 45.0339 -249.745 PRESSAVG: 10000 46.6582 -0.580408 19.4944 -0.580484 -40.8905 16.0039 19.4944 16.004 -17.1189 GPRESSAVG: 10000 45.8328 -0.277082 21.2467 -2.36357 -39.6257 14.9593 18.6635 15.3737 -17.1929 TIMING: 10000 CPU: 29.9481, 0.00297713/step Wall: 29.9481, 0.00297713/step, 4.12664 hours remaining, 196.957031 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: 10000 731.2957 2047.3195 1955.3032 117.4794 -205761.7264 17424.7805 0.0000 0.0000 34279.0444 -149206.5038 299.3674 -183485.5481 -149111.8101 298.9415 -178.2194 -148.3281 556578.7487 -3.7837 -3.6619 PRESSURE: 10200 -134.357 37.6517 29.7332 37.6509 -162.18 24.7355 29.7343 24.7358 -430.92 GPRESSURE: 10200 -110.752 63.5428 71.2638 -12.3708 -177.698 -43.9544 47.5254 21.2062 -343.327 PRESSAVG: 10200 33.1963 -6.64918 -11.6617 -6.64926 -68.3061 21.4262 -11.6617 21.4262 12.3913 GPRESSAVG: 10200 32.5727 -8.05654 -15.0973 -6.19154 -68.5037 20.8293 -7.85594 23.9736 12.8984 TIMING: 10200 CPU: 30.5446, 0.00298203/step Wall: 30.5446, 0.00298203/step, 4.13326 hours remaining, 196.957031 MB of memory in use. ENERGY: 10200 785.6738 2110.1626 1959.0365 108.5172 -205874.3478 17433.0784 0.0000 0.0000 34246.9311 -149230.9482 299.0870 -183477.8793 -149136.4409 299.5624 -242.4857 -210.5926 556834.9005 -7.5729 -7.6776 PRESSURE: 10400 -58.4171 13.1686 24.667 13.169 -114.706 -63.3364 24.667 -63.3379 137.015 GPRESSURE: 10400 11.2773 134.33 11.1462 11.3745 -145.175 -74.5671 53.1467 -23.019 194.369 PRESSAVG: 10400 25.0041 12.0369 27.8486 12.0369 -57.0501 -31.9888 27.8486 -31.9889 29.13 GPRESSAVG: 10400 25.5037 12.9784 29.6183 12.5286 -57.8417 -32.3088 27.0059 -33.3541 29.6475 TIMING: 10400 CPU: 31.1346, 0.00295005/step Wall: 31.1346, 0.00295005/step, 4.08877 hours remaining, 196.957031 MB of memory in use. ENERGY: 10400 731.7428 2061.0966 1961.2281 109.6083 -206412.0403 17774.4565 0.0000 0.0000 34583.2329 -149190.6751 302.0240 -183773.9079 -149094.7549 300.0333 -12.0362 20.1572 557325.8949 -0.9720 -0.8968 PRESSURE: 10600 45.5087 62.0659 69.6854 62.0639 76.298 -85.5498 69.6856 -85.5502 -79.8532 GPRESSURE: 10600 38.4765 50.4925 37.8465 59.7276 170.835 -210.71 109.592 -9.76028 -77.3776 PRESSAVG: 10600 -8.70189 48.152 -3.60215 48.1521 -0.401876 -59.8953 -3.60215 -59.8953 -16.8241 GPRESSAVG: 10600 -7.47339 50.942 -2.81088 45.8421 -0.653984 -59.3309 -4.56526 -61.8025 -17.9728 TIMING: 10600 CPU: 31.7293, 0.0029737/step Wall: 31.7293, 0.0029737/step, 4.12138 hours remaining, 196.957031 MB of memory in use. ENERGY: 10600 686.4900 2090.2932 1932.3338 106.6583 -205977.0776 17682.9172 0.0000 0.0000 34505.7450 -148972.6400 301.3473 -183478.3850 -148869.0856 299.6828 13.9845 43.9780 557004.6402 -8.6426 -8.7001 PRESSURE: 10800 -174.859 187.15 67.2874 187.149 -39.1686 145.98 67.2885 145.98 -16.6474 GPRESSURE: 10800 -113.395 242.176 3.17529 187.592 -40.6006 75.4214 90.8363 220.348 21.9735 PRESSAVG: 10800 22.8281 21.4666 11.723 21.4666 3.37326 -13.9447 11.7231 -13.9447 -11.1996 GPRESSAVG: 10800 23.2184 18.7956 10.1488 22.6932 2.03251 -11.7087 10.939 -12.6465 -10.824 TIMING: 10800 CPU: 32.321, 0.00295868/step Wall: 32.321, 0.00295868/step, 4.1004 hours remaining, 196.957031 MB of memory in use. ENERGY: 10800 768.4748 2009.9187 1949.6478 115.5452 -205157.0201 17343.7594 0.0000 0.0000 34240.6358 -148729.0384 299.0320 -182969.6742 -148632.4389 300.5012 -76.8916 -44.0075 556913.0676 5.0006 4.8090 PRESSURE: 11000 -36.5015 22.7727 114.963 22.7717 173.19 52.5326 114.963 52.5343 -183.466 GPRESSURE: 11000 -14.9081 -41.8269 118.209 76.2861 197.284 132.567 107.824 -46.5338 -144.039 PRESSAVG: 11000 59.2474 42.9452 -24.5986 42.9452 -1.69282 -16.552 -24.5986 -16.552 24.2874 GPRESSAVG: 11000 59.1088 43.4968 -24.1883 43.5924 -1.47051 -16.1091 -24.1032 -17.7048 23.9263 TIMING: 11000 CPU: 32.9157, 0.00297326/step Wall: 32.9157, 0.00297326/step, 4.12044 hours remaining, 196.957031 MB of memory in use. ENERGY: 11000 703.8887 2034.2816 1939.7027 108.3688 -205615.4946 17601.6635 0.0000 0.0000 34380.9875 -148846.6017 300.2577 -183227.5891 -148751.0039 300.4116 -15.5926 12.7790 557194.3589 27.2807 27.1882 PRESSURE: 11200 475.341 130.317 96.1203 130.317 10.8378 48.8786 96.1207 48.8779 -121.058 GPRESSURE: 11200 469.539 81.7591 104.487 166.242 -5.32999 47.4283 76.6028 92.1332 -12.5271 PRESSAVG: 11200 48.8345 18.9778 -34.9037 18.9778 -36.0399 24.0417 -34.9037 24.0416 -27.262 GPRESSAVG: 11200 49.6087 18.1543 -34.7124 16.2067 -35.7208 23.7618 -34.8252 24.4581 -27.9482 TIMING: 11200 CPU: 33.5083, 0.00296295/step Wall: 33.5083, 0.00296295/step, 4.106 hours remaining, 196.957031 MB of memory in use. ENERGY: 11200 738.9926 2113.0093 1969.9692 108.8142 -206241.5558 17963.2270 0.0000 0.0000 34517.1247 -148830.4188 301.4466 -183347.5435 -148732.4443 299.9317 121.7071 150.5606 556463.5936 -4.8225 -4.6868 PRESSURE: 11400 22.7822 -34.465 -12.1234 -34.4643 479.289 126.972 -12.1221 126.973 391.805 GPRESSURE: 11400 67.7861 -117.278 -1.55122 7.35083 535.489 95.7294 -10.6194 150.702 390.136 PRESSAVG: 11400 30.2215 26.9893 20.0288 26.9894 -39.9843 19.7034 20.0288 19.7036 33.5487 GPRESSAVG: 11400 29.473 26.6345 19.6692 28.3457 -39.3316 19.0464 21.3528 19.6313 33.5475 TIMING: 11400 CPU: 34.0993, 0.00295496/step Wall: 34.0993, 0.00295496/step, 4.09475 hours remaining, 196.957031 MB of memory in use. ENERGY: 11400 752.0028 2082.8605 1958.2241 114.6580 -206612.8614 18271.0197 0.0000 0.0000 34699.0690 -148735.0274 303.0356 -183434.0963 -148638.6671 300.7904 297.9588 331.1370 556921.0017 7.9286 7.8963 PRESSURE: 11600 -261.426 -107.328 49.081 -107.329 -199.085 -42.9797 49.0813 -42.9802 -101.02 GPRESSURE: 11600 -250.202 -89.8296 57.8868 -138.235 -139.966 -43.9143 111.232 -40.2076 -64.3143 PRESSAVG: 11600 -8.38547 14.7526 30.9415 14.7526 -18.0572 -0.614035 30.9415 -0.614146 29.992 GPRESSAVG: 11600 -8.22602 17.4978 32.2943 13.3355 -17.9991 -1.41547 29.6667 0.719835 29.5591 TIMING: 11600 CPU: 34.6903, 0.00295519/step Wall: 34.6903, 0.00295519/step, 4.09491 hours remaining, 196.957031 MB of memory in use. ENERGY: 11600 768.3290 2101.1735 1966.7503 106.5827 -205788.4623 17704.4056 0.0000 0.0000 34203.9900 -148937.2312 298.7120 -183141.2212 -148838.7438 300.8986 -187.1770 -151.4941 558528.4232 1.1831 1.1113 PRESSURE: 11800 23.4963 -86.2774 -159.554 -86.278 -124.806 17.6649 -159.555 17.6668 -126.71 GPRESSURE: 11800 94.2226 -139.421 -121.658 -123.855 -139.669 33.4263 -177.594 95.4391 -94.3121 PRESSAVG: 11800 57.4181 -9.36386 8.40395 -9.3639 -15.0139 -3.1945 8.40398 -3.19458 -35.7329 GPRESSAVG: 11800 57.2322 -11.2067 6.44054 -8.38445 -14.2142 -3.03027 9.62272 -1.97846 -36.5361 TIMING: 11800 CPU: 35.2813, 0.00295486/step Wall: 35.2813, 0.00295486/step, 4.09429 hours remaining, 197.019531 MB of memory in use. ENERGY: 11800 762.4793 2086.2388 1962.3147 117.1548 -205817.4758 17856.6138 0.0000 0.0000 34273.3073 -148759.3671 299.3173 -183032.6744 -148672.4263 300.3671 -76.0064 -46.5862 559611.9513 2.2238 2.1606 PRESSURE: 12000 -139.888 218.302 51.8548 218.302 -49.6248 -159.93 51.8538 -159.931 -476.565 GPRESSURE: 12000 -80.7456 254.319 -15.3912 175.321 -52.0166 -195.171 67.5532 -116.753 -436.767 PRESSAVG: 12000 -4.4874 -46.8623 31.4455 -46.8623 -12.5313 -2.22149 31.4454 -2.22149 22.2881 GPRESSAVG: 12000 -4.05073 -45.54 29.8564 -48.804 -13.7764 -0.929987 32.4273 -2.71531 22.3689 TIMING: 12000 CPU: 35.8748, 0.00296781/step Wall: 35.8748, 0.00296781/step, 4.11207 hours remaining, 197.019531 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: 12000 769.0322 2094.7172 1971.6952 114.9499 -205584.0541 17573.0329 0.0000 0.0000 34448.1968 -148612.4298 300.8447 -183060.6267 -148509.8037 300.8848 -222.0259 -189.8429 558997.5321 1.7565 1.5139 PRESSURE: 12200 124.617 -3.53662 -14.0437 -3.53659 143.39 -3.57703 -14.0427 -3.57612 -130.135 GPRESSURE: 12200 179.76 40.2238 26.8059 8.75532 190.435 120.277 -41.8612 -13.2668 -131.042 PRESSAVG: 12200 -17.1099 38.0761 6.5131 38.0761 -60.4986 9.88912 6.51304 9.88914 42.7588 GPRESSAVG: 12200 -18.2501 36.8985 9.02288 40.9342 -60.5669 10.4333 5.19412 10.3629 43.7895 TIMING: 12200 CPU: 36.4703, 0.00297735/step Wall: 36.4703, 0.00297735/step, 4.12511 hours remaining, 197.019531 MB of memory in use. ENERGY: 12200 744.0983 2081.6458 1954.5230 115.0279 -206253.5393 18000.7517 0.0000 0.0000 34665.3421 -148692.1504 302.7411 -183357.4925 -148601.9535 300.9399 45.9573 79.7176 557680.9161 -11.6166 -11.6758 LDB: ============= START OF LOAD BALANCING ============== 39.9824 LDB: ============== END OF LOAD BALANCING =============== 39.9826 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 39.984 LDB: ============= START OF LOAD BALANCING ============== 40.2829 LDB: Largest compute 4773 load 0.029476 is 25.1% of average load 0.117637 LDB: Average compute 0.001727 is 1.5% of average load 0.117637 LDB: TIME 40.2852 LOAD: AVG 0.117637 MAX 0.204329 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 197.688 MB LDB: TIME 40.2855 LOAD: AVG 0.117637 MAX 0.204329 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 197.891 MB LDB: TIME 40.2856 LOAD: AVG 0.117637 MAX 0.204329 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 197.891 MB LDB: ============== END OF LOAD BALANCING =============== 40.2874 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 40.2916 PRESSURE: 12400 -235.209 42.3491 39.7542 42.3507 -60.3841 46.9932 39.7555 46.9931 139.138 GPRESSURE: 12400 -192.85 101.412 -15.8392 -6.7406 -51.6705 -18.2219 130.377 60.0165 192.056 PRESSAVG: 12400 -20.0699 33.2357 15.5077 33.2358 3.69114 41.6044 15.5077 41.6043 14.0853 GPRESSAVG: 12400 -21.3359 33.5244 14.3686 31.907 4.26886 40.7053 16.0552 38.5181 14.4586 TIMING: 12400 CPU: 37.0749, 0.00302305/step Wall: 37.0749, 0.00302305/step, 4.18827 hours remaining, 198.042969 MB of memory in use. ENERGY: 12400 765.4850 2078.5220 1963.1177 114.5384 -205464.4439 17577.8235 0.0000 0.0000 34208.4966 -148756.4608 298.7513 -182964.9574 -148658.0832 300.4876 -52.1518 -17.4880 558134.2498 -0.7645 -0.8695 PRESSURE: 12600 -247.669 -16.539 -38.3158 -16.5382 -155.445 -17.0344 -38.3173 -17.0325 -117.166 GPRESSURE: 12600 -215.004 -113.901 -42.9186 -3.75269 -93.7119 11.0809 -113.132 24.1412 -102.391 PRESSAVG: 12600 -24.4667 3.74636 -55.8633 3.74633 22.919 21.9275 -55.8632 21.9275 33.7192 GPRESSAVG: 12600 -21.8084 2.20496 -56.1885 3.85587 21.8231 22.2529 -58.4839 23.3523 32.0217 TIMING: 12600 CPU: 37.6686, 0.0029684/step Wall: 37.6686, 0.0029684/step, 4.11238 hours remaining, 198.449219 MB of memory in use. ENERGY: 12600 792.0536 2111.5913 1956.3977 107.4746 -205930.6419 17679.0416 0.0000 0.0000 34495.3038 -148788.7792 301.2561 -183284.0830 -148697.5546 301.0162 -173.4264 -137.0357 558622.8297 10.7238 10.6788 PRESSURE: 12800 155.697 -20.591 31.3261 -20.5906 -257.308 -168.667 31.3258 -168.666 -124.165 GPRESSURE: 12800 123.086 17.3612 2.62491 -21.7366 -208.411 -116.158 52.6905 -153.589 -57.7606 PRESSAVG: 12800 -8.45852 47.4505 6.27096 47.4505 -5.8662 -6.8431 6.27097 -6.84305 -27.3743 GPRESSAVG: 12800 -8.84165 49.6748 6.93846 47.828 -6.81473 -7.85528 8.60829 -5.17678 -26.3397 TIMING: 12800 CPU: 38.2625, 0.00296951/step Wall: 38.2625, 0.00296951/step, 4.11375 hours remaining, 198.449219 MB of memory in use. ENERGY: 12800 739.8006 2143.9973 1954.9473 102.7007 -205619.9973 17598.7986 0.0000 0.0000 34213.8563 -148865.8965 298.7981 -183079.7528 -148763.5856 300.3544 -75.2588 -47.6954 558192.4555 -13.8997 -13.9987 PRESSURE: 13000 147.354 -10.1882 -66.9429 -10.1889 37.4177 -266.089 -66.9441 -266.088 56.6969 GPRESSURE: 13000 130.91 74.4102 31.9211 -63.2317 74.7305 -181.615 -102.977 -195.116 126.932 PRESSAVG: 13000 40.9353 -1.93499 41.2376 -1.935 -21.3769 26.6767 41.2376 26.6767 -17.2519 GPRESSAVG: 13000 38.9741 -1.82917 42.238 -3.34629 -18.9367 26.8346 38.463 26.4693 -17.2034 TIMING: 13000 CPU: 38.8554, 0.00296423/step Wall: 38.8554, 0.00296423/step, 4.10629 hours remaining, 198.449219 MB of memory in use. ENERGY: 13000 766.5897 2082.0507 1977.5682 119.2705 -206229.7238 17909.5801 0.0000 0.0000 34612.1277 -148762.5369 302.2763 -183374.6646 -148667.0761 300.3329 80.4894 110.8575 556604.1126 0.7688 0.9447 PRESSURE: 13200 -35.4251 -97.2077 -77.6423 -97.2073 -16.6999 182.219 -77.6429 182.218 -121.405 GPRESSURE: 13200 -72.2678 -137.941 -138.777 -96.5931 45.4335 183.792 -90.648 138.183 -48.4557 PRESSAVG: 13200 38.4812 -30.7418 2.64275 -30.7418 4.08696 -3.9077 2.64272 -3.90773 -50.6204 GPRESSAVG: 13200 38.7288 -30.5518 0.612038 -28.165 3.09892 -3.95273 4.59084 -4.92673 -49.7617 TIMING: 13200 CPU: 39.448, 0.00296342/step Wall: 39.448, 0.00296342/step, 4.105 hours remaining, 198.449219 MB of memory in use. ENERGY: 13200 748.5872 2121.8367 1955.7604 120.5282 -205854.7207 17804.2514 0.0000 0.0000 34396.4644 -148707.2924 300.3929 -183103.7568 -148612.9874 301.0435 -57.8432 -25.0967 557838.4510 -2.6841 -2.6447 PRESSURE: 13400 -34.0072 12.1305 -49.353 12.1294 41.0667 -89.7017 -49.3541 -89.7032 -46.3694 GPRESSURE: 13400 4.65706 73.8174 -102.949 -45.7209 62.476 -1.89286 21.2953 -146.358 5.5384 PRESSAVG: 13400 -11.7531 68.6785 46.3363 68.6785 36.2943 -35.8409 46.3363 -35.8408 20.932 GPRESSAVG: 13400 -11.2036 67.9772 47.0427 66.7962 36.047 -36.2288 44.7129 -37.3139 21.2321 TIMING: 13400 CPU: 40.0413, 0.0029662/step Wall: 40.0413, 0.0029662/step, 4.10868 hours remaining, 198.449219 MB of memory in use. ENERGY: 13400 705.6761 2081.0884 1963.0865 115.5313 -205736.3653 17632.8979 0.0000 0.0000 34559.8421 -148678.2430 301.8197 -183238.0851 -148581.2077 300.8825 -13.1033 24.2238 557910.4859 15.1577 15.3585 PRESSURE: 13600 -262.419 -167.372 180.608 -167.371 23.8313 -160.417 180.609 -160.418 68.9748 GPRESSURE: 13600 -232.888 -143.376 146.711 -142.855 44.6955 -178.661 156.064 -155.85 113.774 PRESSAVG: 13600 -14.7461 0.579164 34.4101 0.579164 30.1615 -59.894 34.41 -59.894 -1.41959 GPRESSAVG: 13600 -14.8372 0.669254 32.4723 2.43628 29.8929 -59.7578 37.171 -59.3983 -1.12401 TIMING: 13600 CPU: 40.6302, 0.00294459/step Wall: 40.6302, 0.00294459/step, 4.07858 hours remaining, 198.449219 MB of memory in use. ENERGY: 13600 742.0869 2144.3343 1952.2997 122.3031 -205374.7819 17407.1538 0.0000 0.0000 34351.0236 -148655.5804 299.9960 -183006.6040 -148555.8964 300.5984 -56.5375 -24.8065 557166.8015 4.6653 4.6439 PRESSURE: 13800 65.7708 86.8902 49.9382 86.8897 176.523 15.633 49.9381 15.6335 247.203 GPRESSURE: 13800 127.652 79.9292 0.312612 85.6635 167.681 2.48661 -16.1422 55.2091 287.83 PRESSAVG: 13800 -71.8251 -12.4574 -3.36276 -12.4576 18.2155 -24.8845 -3.3627 -24.8846 12.5395 GPRESSAVG: 13800 -70.3954 -11.5755 -2.00456 -12.9595 18.1235 -24.6988 -3.97672 -25.6214 10.8998 TIMING: 13800 CPU: 41.2252, 0.00297527/step Wall: 41.2252, 0.00297527/step, 4.12092 hours remaining, 198.449219 MB of memory in use. ENERGY: 13800 743.8266 2126.9064 1942.6286 103.2969 -206115.0950 18062.9495 0.0000 0.0000 34423.5731 -148711.9139 300.6296 -183135.4870 -148616.1002 301.1855 163.1656 194.3877 557213.6946 -13.6900 -13.7907 PRESSURE: 14000 -331.972 18.5538 94.5932 18.5532 -45.0592 173.291 94.5937 173.292 -348.851 GPRESSURE: 14000 -246.382 -86.2708 2.71037 2.93883 -36.3273 165.82 57.6713 201.6 -334.377 PRESSAVG: 14000 -63.0977 8.6152 -8.27616 8.61521 46.3837 -25.0038 -8.27618 -25.0038 6.12247 GPRESSAVG: 14000 -63.2617 7.90793 -5.64994 7.5282 46.837 -24.282 -11.2343 -24.1999 6.0124 TIMING: 14000 CPU: 41.8208, 0.00297788/step Wall: 41.8208, 0.00297788/step, 4.12436 hours remaining, 198.460938 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: 14000 735.8721 2147.4883 1943.3102 116.0920 -205550.4209 17292.4157 0.0000 0.0000 34474.8341 -148840.4086 301.0773 -183315.2426 -148748.8806 300.1820 -241.9606 -205.6954 557767.0014 -3.5305 -3.4708 PRESSURE: 14200 -150.821 6.9229 46.7936 6.9233 44.209 -57.5929 46.7944 -57.594 101.93 GPRESSURE: 14200 -110.417 58.7485 32.1537 -11.6098 101.68 -28.5258 72.6789 -33.2759 109.663 PRESSAVG: 14200 -12.0722 13.5132 -4.17498 13.5132 42.4579 -7.4256 -4.17483 -7.42562 -36.9507 GPRESSAVG: 14200 -12.035 13.7429 -7.47185 14.8635 42.057 -8.06204 -0.4224 -8.6495 -36.1033 TIMING: 14200 CPU: 42.4172, 0.00298196/step Wall: 42.4172, 0.00298196/step, 4.12985 hours remaining, 198.460938 MB of memory in use. ENERGY: 14200 825.6589 2095.1323 1911.5208 110.0747 -206158.8791 17815.8797 0.0000 0.0000 34530.3694 -148870.2432 301.5623 -183400.6127 -148775.7295 300.1900 -1.5606 33.6421 557121.4507 -2.1883 -2.0271 PRESSURE: 14400 202.11 -178.226 -56.3499 -178.227 48.4189 -145.007 -56.3504 -145.007 -202.339 GPRESSURE: 14400 174.996 -153.076 -64.0251 -245.859 109.833 -158.993 -40.3941 -187.512 -126.233 PRESSAVG: 14400 19.0355 33.9874 8.03383 33.9873 -0.900728 29.5462 8.03382 29.5462 -92.9929 GPRESSAVG: 14400 18.6586 34.6419 8.66575 32.8627 -1.17375 28.1635 5.83262 30.6603 -92.2377 TIMING: 14400 CPU: 43.0116, 0.00297209/step Wall: 43.0116, 0.00297209/step, 4.11602 hours remaining, 198.460938 MB of memory in use. ENERGY: 14400 701.5918 2154.3958 1938.4340 114.0624 -205440.7319 17694.3441 0.0000 0.0000 33968.8967 -148869.0070 296.6588 -182837.9037 -148776.2145 299.5512 16.0634 52.8653 559528.8732 -24.9527 -24.9176 PRESSURE: 14600 165.767 68.737 -69.9454 68.738 -134.67 153.598 -69.9453 153.598 -217.738 GPRESSURE: 14600 216.617 116.715 -101.357 -23.28 -114.471 133.275 -92.2672 183.13 -202.618 PRESSAVG: 14600 71.6387 -4.64115 -61.7712 -4.64108 -2.31878 13.6812 -61.7712 13.6813 -46.5316 GPRESSAVG: 14600 70.794 -3.90536 -60.9083 -4.97403 -1.4716 15.2953 -61.3843 13.3506 -46.844 TIMING: 14600 CPU: 43.6049, 0.00296639/step Wall: 43.6049, 0.00296639/step, 4.10795 hours remaining, 198.460938 MB of memory in use. ENERGY: 14600 734.0755 2103.8201 1974.7675 113.2346 -205520.8028 17619.7979 0.0000 0.0000 34239.1123 -148735.9949 299.0187 -182975.1072 -148639.9333 299.5973 -62.2139 -33.4904 558216.7990 7.5961 7.4928 PRESSURE: 14800 -109.628 111.301 -189.884 111.3 -255.572 14.4735 -189.885 14.4737 -84.3747 GPRESSURE: 14800 -64.9779 93.9251 -217.23 120.931 -170.293 -10.6919 -191.294 23.3729 -103.525 PRESSAVG: 14800 91.7546 4.47899 30.7958 4.47894 -9.33887 -47.9465 30.7958 -47.9465 -28.6959 GPRESSAVG: 14800 92.9611 3.7236 30.3369 4.08146 -9.06436 -46.9998 29.5675 -47.2358 -29.5019 TIMING: 14800 CPU: 44.1979, 0.00296494/step Wall: 44.1979, 0.00296494/step, 4.10579 hours remaining, 198.460938 MB of memory in use. ENERGY: 14800 751.6989 2076.7033 1914.8179 107.2693 -205459.5365 17528.5034 0.0000 0.0000 34228.4949 -148852.0487 298.9260 -183080.5437 -148750.1096 300.4164 -149.8581 -112.9317 558015.3033 17.9066 18.1316 PRESSURE: 15000 -102.491 49.171 -61.0502 49.1702 77.2177 192.593 -61.0495 192.592 -223.746 GPRESSURE: 15000 -67.7567 -39.9424 -78.8528 113.043 30.0766 182.407 -98.3373 90.7957 -114.548 PRESSAVG: 15000 26.4627 -44.7535 -52.2632 -44.7534 -41.5144 -1.69438 -52.2632 -1.69435 -27.109 GPRESSAVG: 15000 25.4484 -46.2209 -52.2786 -43.0357 -41.2916 -2.582 -51.2848 -1.9416 -25.7881 TIMING: 15000 CPU: 44.7959, 0.00299018/step Wall: 44.7959, 0.00299018/step, 4.14057 hours remaining, 198.460938 MB of memory in use. ENERGY: 15000 755.2197 2094.2070 1965.4649 114.2891 -205574.7315 17571.8127 0.0000 0.0000 34459.4442 -148614.2939 300.9429 -183073.7381 -148519.1186 300.4591 -83.0066 -50.7428 556789.6365 -14.0536 -13.8771 PRESSURE: 15200 114.975 -90.8835 -23.3645 -90.8843 17.0209 30.137 -23.3645 30.1355 30.7858 GPRESSURE: 15200 141.566 -177.178 -55.026 -92.0117 53.9887 -79.5011 14.0026 93.7543 67.473 PRESSAVG: 15200 45.5644 -42.3536 -19.4007 -42.3536 -88.4199 24.789 -19.4006 24.7889 66.046 GPRESSAVG: 15200 46.4686 -41.9059 -18.3277 -41.0767 -88.5531 26.1248 -19.723 22.8138 65.5931 TIMING: 15200 CPU: 45.3912, 0.00297639/step Wall: 45.3912, 0.00297639/step, 4.12131 hours remaining, 198.460938 MB of memory in use. ENERGY: 15200 729.9970 2042.8446 1933.0148 125.3516 -205729.2234 17781.4833 0.0000 0.0000 34488.6825 -148627.8495 301.1982 -183116.5319 -148535.9548 301.4194 54.2605 87.6758 556394.5162 7.7302 7.8362 PRESSURE: 15400 78.3651 88.4194 140.728 88.4198 136.276 -92.2307 140.73 -92.2316 -377.386 GPRESSURE: 15400 161.451 93.3667 136.395 43.9434 107.947 -185.591 104.582 18.5224 -330.256 PRESSAVG: 15400 -5.46448 -58.5323 -25.3499 -58.5323 40.003 -10.8335 -25.3499 -10.8336 -23.595 GPRESSAVG: 15400 -5.27296 -58.1803 -26.296 -60.18 40.8381 -12.6537 -24.0663 -9.91111 -24.4483 TIMING: 15400 CPU: 45.9822, 0.00295515/step Wall: 45.9822, 0.00295515/step, 4.09173 hours remaining, 198.460938 MB of memory in use. ENERGY: 15400 761.2763 2044.8276 1965.3629 119.8642 -205840.9258 17693.7271 0.0000 0.0000 34559.9985 -148695.8692 301.8211 -183255.8676 -148596.1886 301.4705 -54.2481 -20.2861 556945.8149 3.6478 3.7056 PRESSURE: 15600 10.2537 -25.1362 -122.546 -25.1354 38.2737 23.9907 -122.547 23.9905 44.3934 GPRESSURE: 15600 30.3678 -38.3942 -28.0698 -46.1889 59.6357 6.85458 -175.251 5.25432 97.282 PRESSAVG: 15600 -74.7958 -65.985 -21.1032 -65.985 69.412 52.0321 -21.1031 52.0321 7.94073 GPRESSAVG: 15600 -74.3916 -66.432 -21.0711 -65.4612 68.8122 52.0934 -23.8966 52.6766 7.71641 TIMING: 15600 CPU: 46.5757, 0.0029674/step Wall: 46.5757, 0.0029674/step, 4.10854 hours remaining, 198.460938 MB of memory in use. ENERGY: 15600 766.0812 2133.3870 1965.3412 105.2027 -205567.5153 17603.7316 0.0000 0.0000 34363.4662 -148630.3053 300.1047 -182993.7716 -148534.9216 300.8304 30.9736 62.4285 556779.5193 0.8523 0.7123 PRESSURE: 15800 141.101 -2.23861 -26.8579 -2.23856 -219.328 -142.547 -26.8576 -142.545 -164.457 GPRESSURE: 15800 170.775 28.1116 32.8095 -74.5076 -133.166 -120.801 -35.8796 -110.794 -193.807 PRESSAVG: 15800 -24.7706 -14.2373 34.0565 -14.2372 31.3011 -3.67368 34.0564 -3.67369 -69.0867 GPRESSAVG: 15800 -26.5042 -12.4591 35.0581 -13.9897 31.9827 -1.8021 33.8721 -3.6609 -67.9334 TIMING: 15800 CPU: 47.1658, 0.00295053/step Wall: 47.1658, 0.00295053/step, 4.08501 hours remaining, 198.460938 MB of memory in use. ENERGY: 15800 716.1312 2032.3178 1976.0119 111.3950 -205769.5227 17557.3767 0.0000 0.0000 34589.8147 -148786.4754 302.0815 -183376.2901 -148683.9460 301.0997 -80.8947 -52.0658 557193.6431 -20.8521 -20.8183 PRESSURE: 16000 -144.477 -149.193 114.515 -149.194 300.168 100.709 114.514 100.71 47.9561 GPRESSURE: 16000 -48.2957 -71.7223 87.2879 -203.254 243.957 -71.6646 157.42 165.423 102.178 PRESSAVG: 16000 2.7575 -54.3542 33.57 -54.3542 0.0375331 -2.26388 33.5699 -2.26392 -0.242762 GPRESSAVG: 16000 4.54308 -56.4144 32.8152 -53.8337 -0.603091 -3.14575 35.1306 -0.96157 -0.70693 TIMING: 16000 CPU: 47.7635, 0.00298845/step Wall: 47.7635, 0.00298845/step, 4.13735 hours remaining, 198.460938 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: 16000 720.8728 2111.9050 1941.8949 123.1876 -206020.5927 17867.5794 0.0000 0.0000 34239.0740 -149016.0790 299.0183 -183255.1530 -148923.7941 300.2420 67.8824 99.2798 558223.4029 0.8508 1.0777 PRESSURE: 16200 -4.99292 43.9769 270.956 43.9769 56.9416 80.2946 270.956 80.2944 172.984 GPRESSURE: 16200 88.9226 113.334 264.95 -93.2622 69.9028 152.892 329.962 110.222 155.578 PRESSAVG: 16200 18.3341 -1.5531 54.7258 -1.55309 28.0152 23.2813 54.7257 23.2814 -13.4668 GPRESSAVG: 16200 17.7452 -0.676606 53.1207 -1.73879 27.3758 24.3875 53.2968 21.983 -12.5303 TIMING: 16200 CPU: 48.3562, 0.00296334/step Wall: 48.3562, 0.00296334/step, 4.10241 hours remaining, 198.460938 MB of memory in use. ENERGY: 16200 757.0359 2110.2132 1945.0546 101.1038 -205725.3128 17703.1923 0.0000 0.0000 34320.9584 -148787.7546 299.7335 -183108.7130 -148697.2527 299.8533 74.9777 104.8011 558071.9830 10.9608 10.8636 LDB: ============= START OF LOAD BALANCING ============== 51.8712 LDB: ============== END OF LOAD BALANCING =============== 51.8713 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 51.8728 LDB: ============= START OF LOAD BALANCING ============== 52.1716 LDB: Largest compute 4773 load 0.029877 is 25.4% of average load 0.117581 LDB: Average compute 0.001731 is 1.5% of average load 0.117581 LDB: TIME 52.174 LOAD: AVG 0.117581 MAX 0.205103 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 197.883 MB LDB: TIME 52.1744 LOAD: AVG 0.117581 MAX 0.205103 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 197.883 MB LDB: TIME 52.1745 LOAD: AVG 0.117581 MAX 0.205103 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 197.883 MB LDB: ============== END OF LOAD BALANCING =============== 52.1764 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 52.1807 PRESSURE: 16400 -193.679 1.389 -4.95095 1.39133 -396.058 51.6251 -4.95021 51.6255 -139.585 GPRESSURE: 16400 -169.207 76.3069 49.655 -22.5771 -355.768 121.16 -70.0775 14.074 -95.5114 PRESSAVG: 16400 -4.9186 -1.28559 36.595 -1.2856 31.3207 -4.2698 36.5951 -4.26971 -5.06447 GPRESSAVG: 16400 -5.2026 -0.926844 38.0805 -2.73216 32.4184 -5.29943 37.1083 -3.03393 -5.91271 TIMING: 16400 CPU: 48.9641, 0.00303942/step Wall: 48.9641, 0.00303942/step, 4.20757 hours remaining, 196.910156 MB of memory in use. ENERGY: 16400 800.5418 2132.4331 1922.6823 116.0279 -205931.8696 17480.8627 0.0000 0.0000 34579.4676 -148899.8543 301.9911 -183479.3219 -148802.5881 300.3915 -243.1072 -206.8289 557469.7598 7.1125 7.1010 PRESSURE: 16600 -107.201 -42.0587 -65.8451 -42.059 107.556 -138.547 -65.8444 -138.55 209.107 GPRESSURE: 16600 -37.6404 -17.7727 22.009 -35.5503 165.181 -159.14 -75.5775 -144.009 183.487 PRESSAVG: 16600 -85.7272 12.085 14.289 12.085 19.2293 -46.3538 14.2891 -46.3539 38.0311 GPRESSAVG: 16600 -85.7672 11.8367 11.9923 14.7861 18.675 -45.2791 15.6701 -46.3995 38.047 TIMING: 16600 CPU: 49.5614, 0.00298686/step Wall: 49.5614, 0.00298686/step, 4.13465 hours remaining, 197.113281 MB of memory in use. ENERGY: 16600 713.7134 2141.3590 1964.6619 118.9309 -206397.5003 17806.2811 0.0000 0.0000 34547.5175 -149105.0364 301.7121 -183652.5539 -149008.3684 300.3826 69.8206 103.6759 556006.2305 -9.4889 -9.6817 PRESSURE: 16800 -258.795 78.719 -26.3173 78.7194 -107.188 104.921 -26.3171 104.921 -103.08 GPRESSURE: 16800 -201.387 55.5455 3.56756 89.0098 -96.2316 161.019 21.6865 -22.8215 -70.8821 PRESSAVG: 16800 26.3636 18.1613 -37.9786 18.1612 -20.1709 -30.2373 -37.9786 -30.2373 17.7228 GPRESSAVG: 16800 25.2726 16.7141 -37.3646 17.7607 -19.2002 -30.942 -38.854 -30.206 18.1157 TIMING: 16800 CPU: 50.1606, 0.00299593/step Wall: 50.1606, 0.00299593/step, 4.14704 hours remaining, 197.113281 MB of memory in use. ENERGY: 16800 723.4913 2119.7271 1987.9296 114.7989 -205613.9984 17654.8770 0.0000 0.0000 34035.1163 -148978.0582 297.2371 -183013.1745 -148884.9064 300.1274 -156.3544 -122.8337 558944.4136 7.9718 8.0627 PRESSURE: 17000 -27.692 -33.7718 -13.3878 -33.7734 -191.337 -81.3519 -13.3869 -81.352 -117.097 GPRESSURE: 17000 -20.5329 0.784384 21.0257 -49.3831 -143.352 -54.0186 -33.8528 -31.3221 -83.7033 PRESSAVG: 17000 -43.6445 83.1027 -1.68745 83.1027 14.8123 -55.4243 -1.68739 -55.4242 6.80281 GPRESSAVG: 17000 -42.6069 85.0523 -1.18676 82.5186 14.0747 -52.0599 -2.69072 -56.1084 7.20551 TIMING: 17000 CPU: 50.7603, 0.00299821/step Wall: 50.7603, 0.00299821/step, 4.15002 hours remaining, 197.113281 MB of memory in use. ENERGY: 17000 743.5467 2122.0732 1930.9111 107.3554 -205705.0308 17522.3701 0.0000 0.0000 34299.6557 -148979.1186 299.5474 -183278.7743 -148883.9099 299.6461 -112.0422 -82.5293 558427.7894 -7.3431 -7.1089 PRESSURE: 17200 171.218 181.759 55.2184 181.761 -11.663 -31.2753 55.2184 -31.2746 95.8919 GPRESSURE: 17200 188.799 155.735 34.6079 233.542 23.6118 37.1278 120.055 -109.776 141.258 PRESSAVG: 17200 7.65048 -29.4355 37.7989 -29.4354 -18.1758 -74.1811 37.7989 -74.1812 0.675131 GPRESSAVG: 17200 7.94231 -28.9618 37.8131 -30.068 -18.3947 -75.6051 37.824 -72.3435 0.605052 TIMING: 17200 CPU: 51.355, 0.00297344/step Wall: 51.355, 0.00297344/step, 4.11558 hours remaining, 197.113281 MB of memory in use. ENERGY: 17200 751.1859 2063.4889 1944.9798 108.8738 -206112.3814 17786.4394 0.0000 0.0000 34541.6223 -148915.7912 301.6606 -183457.4135 -148817.1571 299.8041 85.1490 117.8895 557426.5788 -3.2834 -3.2824 PRESSURE: 17400 306.388 41.7203 -18.734 41.7211 -230.915 -94.3027 -18.7333 -94.3027 -87.682 GPRESSURE: 17400 340.743 100.951 9.3598 64.8442 -204.425 -5.47932 -80.2514 -166.606 -54.7249 PRESSAVG: 17400 -17.1232 15.9249 11.5335 15.9249 16.7475 -22.0746 11.5335 -22.0745 -18.7786 GPRESSAVG: 17400 -17.0054 14.5011 13.5399 16.0057 15.5946 -20.7573 10.425 -25.5497 -17.987 TIMING: 17400 CPU: 51.9524, 0.0029871/step Wall: 51.9524, 0.0029871/step, 4.13431 hours remaining, 197.316406 MB of memory in use. ENERGY: 17400 813.5755 2051.3934 1968.1562 110.6953 -205838.3767 17781.7079 0.0000 0.0000 34424.6756 -148688.1728 300.6393 -183112.8484 -148584.4966 300.6517 -4.0698 27.1977 557977.7383 -6.3848 -6.4659 PRESSURE: 17600 -21.8024 88.3615 19.8241 88.362 194.299 -111.534 19.8243 -111.535 -3.95406 GPRESSURE: 17600 57.5426 94.145 30.5552 60.4427 161.73 -47.7732 51.233 -31.7055 38.8517 PRESSAVG: 17600 4.03076 -13.6701 -10.3436 -13.6702 -18.8961 -58.532 -10.3436 -58.5322 22.5285 GPRESSAVG: 17600 3.91731 -13.1397 -12.3259 -13.3652 -18.8249 -62.0709 -9.78361 -53.7482 22.0484 TIMING: 17600 CPU: 52.5455, 0.00296575/step Wall: 52.5455, 0.00296575/step, 4.10459 hours remaining, 197.316406 MB of memory in use. ENERGY: 17600 768.0555 2138.6891 1988.2041 115.4404 -206240.6688 17886.2369 0.0000 0.0000 34568.6074 -148775.4355 301.8962 -183344.0429 -148680.7484 301.3867 56.1807 86.0413 556363.5540 2.5544 2.3803 PRESSURE: 17800 27.3148 24.047 39.2511 24.0478 97.1936 4.28338 39.2516 4.28354 46.6492 GPRESSURE: 17800 62.381 76.8015 -77.505 -3.22624 92.4416 25.2132 62.22 15.9572 97.6646 PRESSAVG: 17800 31.4212 44.9389 24.695 44.9387 -25.5213 21.0415 24.6949 21.0415 16.1439 GPRESSAVG: 17800 31.8853 45.0906 23.4984 42.9288 -24.8578 21.9337 25.5994 21.2143 15.5105 TIMING: 17800 CPU: 53.1402, 0.0029731/step Wall: 53.1402, 0.0029731/step, 4.11461 hours remaining, 197.316406 MB of memory in use. ENERGY: 17800 757.4534 2120.3460 1957.1803 113.0402 -205815.9326 17642.4198 0.0000 0.0000 34301.7077 -148923.7850 299.5653 -183225.4928 -148833.5995 300.8269 57.0525 84.1624 556709.8760 7.3479 7.5127 PRESSURE: 18000 -113.149 15.2728 -104.942 15.2714 -20.6146 175.5 -104.943 175.499 -53.2153 GPRESSURE: 18000 -100.065 -80.7337 -116.006 -30.1206 -7.67036 183.652 -100.798 138.574 18.4018 PRESSAVG: 18000 13.0797 26.0883 -18.1535 26.0883 3.30361 52.8308 -18.1535 52.8309 9.4564 GPRESSAVG: 18000 12.6333 26.8436 -16.7758 26.2304 3.09982 53.4643 -17.8028 51.1708 9.95291 TIMING: 18000 CPU: 53.7374, 0.00298601/step Wall: 53.7374, 0.00298601/step, 4.13231 hours remaining, 197.316406 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: 18000 758.2346 2023.7593 1963.7372 110.1458 -205716.7697 17565.3552 0.0000 0.0000 34361.4618 -148934.0758 300.0872 -183295.5376 -148842.7686 299.6936 -62.3263 -29.7779 558567.6866 8.6132 8.5620 PRESSURE: 18200 -42.9964 -11.0949 39.5519 -11.0955 -34.9775 196.612 39.5515 196.61 17.4872 GPRESSURE: 18200 -31.6928 -47.7357 59.609 38.1839 -26.101 162.072 33.432 152.802 108.717 PRESSAVG: 18200 -41.4948 9.68582 15.7721 9.68579 23.6693 -4.45454 15.7721 -4.45465 58.2869 GPRESSAVG: 18200 -40.8868 8.68097 15.1321 12.2937 23.9286 -5.92546 15.4724 -6.51879 57.1075 TIMING: 18200 CPU: 54.3361, 0.00299394/step Wall: 54.3361, 0.00299394/step, 4.14311 hours remaining, 197.316406 MB of memory in use. ENERGY: 18200 790.0340 2102.3916 1954.4276 114.0330 -206109.4070 17898.5032 0.0000 0.0000 34258.4000 -148991.6175 299.1871 -183250.0175 -148893.3997 299.8350 -20.1622 16.9745 556988.4495 13.4871 13.3831 PRESSURE: 18400 -102.264 -116.991 -76.7941 -116.991 -79.0888 -22.3217 -76.7939 -22.3217 207.335 GPRESSURE: 18400 -101.683 -173.79 22.8797 -93.1573 34.0658 -47.5428 -152.882 -77.8571 188.123 PRESSAVG: 18400 -54.842 15.0283 -27.8111 15.0282 -21.9045 26.8087 -27.8112 26.8087 51.6668 GPRESSAVG: 18400 -55.4068 14.7223 -28.4635 13.6965 -21.6122 27.6793 -26.7944 26.2328 51.3576 TIMING: 18400 CPU: 54.9319, 0.00297867/step Wall: 54.9319, 0.00297867/step, 4.12182 hours remaining, 197.316406 MB of memory in use. ENERGY: 18400 774.4450 2104.6738 1934.8926 102.4151 -206125.5239 17825.7906 0.0000 0.0000 34460.9735 -148922.3333 300.9563 -183383.3068 -148817.5599 299.7452 8.6608 40.1684 556542.6707 -8.3599 -8.5538 PRESSURE: 18600 -277.678 -105.934 -21.1634 -105.934 -217.153 170.059 -21.1631 170.059 -202.59 GPRESSURE: 18600 -241.567 -95.3798 22.7547 -123.725 -165.94 100.251 -16.6405 117.592 -204.897 PRESSAVG: 18600 -8.98117 12.3803 25.3155 12.3804 -1.64562 -31.2645 25.3155 -31.2645 42.3704 GPRESSAVG: 18600 -9.62905 13.0004 25.9659 11.9308 -2.2937 -29.5904 23.8284 -31.1278 44.042 TIMING: 18600 CPU: 55.5304, 0.00299249/step Wall: 55.5304, 0.00299249/step, 4.14077 hours remaining, 197.316406 MB of memory in use. ENERGY: 18600 746.5602 2128.0736 1924.5008 111.1834 -205846.6759 17486.0457 0.0000 0.0000 34406.9139 -149043.3983 300.4841 -183450.3122 -148942.1531 300.2658 -232.4736 -204.1350 558074.8706 10.5812 10.7064 PRESSURE: 18800 -20.2244 -137.781 -144.074 -137.78 -75.1206 -32.3678 -144.075 -32.3675 60.6151 GPRESSURE: 18800 68.5568 -202.333 -142.415 -66.0408 -92.823 -107.28 -181.341 51.2024 83.4865 PRESSAVG: 18800 38.1469 14.5508 -39.1214 14.5507 -8.34344 -28.5419 -39.1213 -28.5419 -6.09071 GPRESSAVG: 18800 39.6884 14.5024 -39.6901 14.3056 -8.98805 -32.3117 -38.3713 -25.591 -6.99032 TIMING: 18800 CPU: 56.1206, 0.00295091/step Wall: 56.1206, 0.00295091/step, 4.08307 hours remaining, 197.316406 MB of memory in use. ENERGY: 18800 749.2918 2094.1673 1931.1866 122.5187 -205464.1652 17563.7492 0.0000 0.0000 34093.1164 -148910.1352 297.7437 -183003.2516 -148811.2194 299.6597 -11.5766 19.7401 558076.2704 7.9042 7.9033 PRESSURE: 19000 177.396 45.437 25.742 45.4369 287.679 97.1397 25.7409 97.1371 -48.2899 GPRESSURE: 19000 168.776 47.0248 47.0704 21.3296 348.619 190.329 39.8714 63.5463 -3.90694 PRESSAVG: 19000 34.1193 -48.6329 -15.6902 -48.6328 51.612 55.2773 -15.6903 55.2773 -64.6034 GPRESSAVG: 19000 32.7374 -47.7206 -17.7258 -46.4546 52.8498 58.1907 -15.9518 52.8576 -64.9296 TIMING: 19000 CPU: 56.7076, 0.00293523/step Wall: 56.7076, 0.00293523/step, 4.06122 hours remaining, 197.316406 MB of memory in use. ENERGY: 19000 756.8107 2107.3253 1949.8086 107.3531 -206258.4701 18116.9288 0.0000 0.0000 34304.8835 -148915.3601 299.5931 -183220.2436 -148813.1184 300.1338 138.9284 171.1628 558834.8891 7.0426 6.8859 PRESSURE: 19200 -90.3972 165.759 -79.1956 165.759 -41.7583 -17.4703 -79.1957 -17.4696 -97.8679 GPRESSURE: 19200 -56.6114 171.648 8.93424 229.477 -19.1332 -94.7643 -141.227 -3.02177 -55.044 PRESSAVG: 19200 10.6105 -21.8655 32.6212 -21.8654 14.7282 21.4853 32.6213 21.4853 -83.0051 GPRESSAVG: 19200 10.8878 -23.5998 34.2115 -22.4992 13.4619 19.5578 33.1009 21.0765 -82.5385 TIMING: 19200 CPU: 57.2997, 0.0029607/step Wall: 57.2997, 0.0029607/step, 4.09629 hours remaining, 197.316406 MB of memory in use. ENERGY: 19200 741.8022 2053.1210 1961.7157 110.3904 -205809.5121 17792.1931 0.0000 0.0000 34251.9144 -148898.3753 299.1305 -183150.2896 -148791.8127 299.6307 -76.6744 -43.5962 559245.8469 -19.2221 -19.3963 PRESSURE: 19400 -9.78859 106.839 -0.851336 106.838 -38.656 17.2207 -0.852366 17.221 -259.418 GPRESSURE: 19400 17.4069 33.0642 -43.6838 124.778 22.4759 91.8926 -44.121 -27.566 -243.201 PRESSAVG: 19400 -85.3131 -38.481 -24.1387 -38.4811 94.2599 -29.6486 -24.1387 -29.6486 -39.5101 GPRESSAVG: 19400 -86.7458 -36.2591 -25.3423 -40.2762 95.3356 -27.497 -23.3983 -27.8861 -39.6671 TIMING: 19400 CPU: 57.8905, 0.00295389/step Wall: 57.8905, 0.00295389/step, 4.0867 hours remaining, 197.316406 MB of memory in use. ENERGY: 19400 753.2063 2109.7022 1971.0935 120.5298 -205768.0007 17625.8821 0.0000 0.0000 34191.4580 -148996.1289 298.6025 -183187.5870 -148904.7550 299.9101 -102.6208 -67.7729 558401.2241 -10.1877 -10.3591 PRESSURE: 19600 113.5 -29.5073 95.724 -29.5064 193.565 69.4711 95.7235 69.4699 214.646 GPRESSURE: 19600 145.765 -43.216 104.642 -26.2865 200.662 127.537 101.165 66.6339 293.317 PRESSAVG: 19600 22.7715 25.8463 -8.50862 25.8462 -20.6222 12.1307 -8.50869 12.1306 -5.98918 GPRESSAVG: 19600 22.9559 25.4448 -6.35594 25.8998 -20.0388 10.5837 -9.48227 11.2124 -6.46393 TIMING: 19600 CPU: 58.4794, 0.00294458/step Wall: 58.4794, 0.00294458/step, 4.07366 hours remaining, 197.316406 MB of memory in use. ENERGY: 19600 734.1302 2072.5178 1971.7228 107.3479 -206480.0679 18057.1590 0.0000 0.0000 34352.7077 -149184.4826 300.0107 -183537.1903 -149084.6498 299.7133 173.9035 213.2482 557402.6199 -1.2799 -1.1823 PRESSURE: 19800 218.498 133.558 34.7729 133.557 220.153 89.5441 34.7733 89.5434 210.415 GPRESSURE: 19800 205.33 53.7313 -54.8424 202.125 265.417 120.719 95.8596 5.42503 272.931 PRESSAVG: 19800 -23.3562 -1.73873 -33.4898 -1.73868 -6.58869 23.5219 -33.4897 23.5218 -28.2461 GPRESSAVG: 19800 -24.0007 -2.28842 -33.8111 0.342748 -7.14835 25.5279 -33.9303 22.8409 -27.1317 TIMING: 19800 CPU: 59.0673, 0.00293926/step Wall: 59.0673, 0.00293926/step, 4.06614 hours remaining, 197.316406 MB of memory in use. ENERGY: 19800 724.9850 2110.2722 1970.4157 116.7707 -206474.9023 18080.7799 0.0000 0.0000 34408.2694 -149063.4095 300.4960 -183471.6788 -148966.5025 299.2722 216.3553 247.8927 557527.0973 -19.3970 -19.4269 PRESSURE: 20000 -95.3367 16.9309 110.061 16.9322 86.0402 55.0234 110.061 55.0247 -146.74 GPRESSURE: 20000 -67.2079 64.6541 66.9133 9.34773 169.686 80.3695 6.81499 78.1553 -164.69 PRESSAVG: 20000 -31.7173 18.8326 2.66698 18.8326 21.082 -0.189435 2.66693 -0.189372 3.16033 GPRESSAVG: 20000 -30.6878 18.4297 1.33103 18.9893 21.1396 -1.65402 4.10347 1.22539 1.69966 TIMING: 20000 CPU: 59.6572, 0.00294934/step Wall: 59.6572, 0.00294934/step, 4.07993 hours remaining, 197.316406 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: 20000 715.3001 2047.0474 1953.8870 100.4780 -206189.0849 17699.0579 0.0000 0.0000 34682.6252 -148990.6893 302.8920 -183673.3145 -148892.2368 300.7346 -52.0120 -20.7371 558008.1470 -2.4917 -2.6162 PRESSURE: 20200 -88.0475 242.631 32.9744 242.631 28.7908 89.6675 32.9752 89.6685 70.8201 GPRESSURE: 20200 -57.1345 212.791 -34.8351 254.858 61.1921 19.0782 87.7667 99.9322 91.6971 PRESSAVG: 20200 -11.0358 31.1229 -59.4291 31.1229 10.7415 20.3159 -59.429 20.316 -4.49284 GPRESSAVG: 20200 -10.3439 32.7639 -57.3929 30.0654 10.5465 20.481 -60.8628 19.9879 -4.89604 TIMING: 20200 CPU: 60.2475, 0.00295187/step Wall: 60.2475, 0.00295187/step, 4.08325 hours remaining, 197.316406 MB of memory in use. ENERGY: 20200 756.7947 2085.4078 1961.6572 112.9683 -206059.8258 17876.5495 0.0000 0.0000 34149.1176 -149117.3306 298.2327 -183266.4482 -149028.1951 299.7869 3.8545 31.9182 557230.3464 -1.5957 -1.5645 LDB: ============= START OF LOAD BALANCING ============== 63.7596 LDB: ============== END OF LOAD BALANCING =============== 63.7598 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 63.7613 LDB: ============= START OF LOAD BALANCING ============== 64.0603 LDB: Largest compute 4773 load 0.030072 is 25.6% of average load 0.117562 LDB: Average compute 0.001727 is 1.5% of average load 0.117562 LDB: TIME 64.0627 LOAD: AVG 0.117562 MAX 0.203188 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 197.68 MB LDB: TIME 64.0629 LOAD: AVG 0.117562 MAX 0.203188 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 197.887 MB LDB: TIME 64.063 LOAD: AVG 0.117562 MAX 0.203188 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 197.887 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 64.0647 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 64.0689 PRESSURE: 20400 -188.488 61.8936 91.0273 61.8939 -81.702 59.6213 91.0271 59.6214 86.627 GPRESSURE: 20400 -138.016 96.3308 63.0544 -50.1579 -66.0925 29.3377 77.0297 65.7053 129.767 PRESSAVG: 20400 -43.5977 -7.32505 -51.6836 -7.32506 1.16534 2.30002 -51.6836 2.30002 83.2425 GPRESSAVG: 20400 -44.0069 -9.10498 -52.1026 -6.66987 1.20662 2.05468 -51.0556 1.47156 83.873 TIMING: 20400 CPU: 60.8522, 0.0030235/step Wall: 60.8522, 0.0030235/step, 4.18218 hours remaining, 197.027344 MB of memory in use. ENERGY: 20400 734.3152 2077.7466 1967.1473 116.8307 -205786.9479 17706.6515 0.0000 0.0000 34033.6083 -149150.6483 297.2240 -183184.2566 -149065.1673 299.3576 -61.1877 -24.7805 557509.7547 13.6034 13.6909 PRESSURE: 20600 31.989 158.257 38.454 158.257 -28.1476 1.72271 38.454 1.7218 -166.985 GPRESSURE: 20600 66.1409 136.337 51.5888 105.309 28.8367 22.3682 -51.5462 15.3233 -150.714 PRESSAVG: 20600 -80.3397 33.0576 39.0021 33.0577 35.5571 -6.94491 39.0022 -6.945 26.1877 GPRESSAVG: 20600 -80.6149 35.111 38.7261 32.4284 34.888 -5.94787 37.8103 -7.64949 26.2427 TIMING: 20600 CPU: 61.446, 0.00296872/step Wall: 61.446, 0.00296872/step, 4.10624 hours remaining, 197.230469 MB of memory in use. ENERGY: 20600 719.1618 2057.7055 1951.0108 113.8939 -205972.2373 17626.1761 0.0000 0.0000 34294.1646 -149210.1248 299.4995 -183504.2893 -149110.6674 299.1195 -54.3814 -18.5788 556872.3829 -6.1983 -6.4947 PRESSURE: 20800 139.486 -95.6278 13.1374 -95.6294 -97.5835 75.2898 13.137 75.2908 -100.162 GPRESSURE: 20800 133.608 42.5176 20.4254 -205.819 -51.5119 39.2442 -76.5578 96.5069 -43.9438 PRESSAVG: 20800 -14.4651 -13.8961 -9.00243 -13.8961 7.7577 41.8117 -9.00243 41.8118 31.671 GPRESSAVG: 20800 -15.5261 -16.3147 -9.94333 -13.6531 8.52572 40.3757 -6.70521 42.9967 32.185 TIMING: 20800 CPU: 62.0398, 0.0029692/step Wall: 62.0398, 0.0029692/step, 4.10673 hours remaining, 197.230469 MB of memory in use. ENERGY: 20800 701.3960 2019.7199 1939.6988 116.4006 -205618.0878 17546.6087 0.0000 0.0000 34021.6504 -149272.6135 297.1195 -183294.2639 -149170.1624 299.1820 -19.4199 12.7176 557275.5597 8.3212 8.3949 PRESSURE: 21000 56.657 46.0467 -107.106 46.0474 15.1519 148.263 -107.106 148.265 -15.8575 GPRESSURE: 21000 76.8481 -15.299 -91.169 83.281 31.99 131.467 -85.7112 85.7016 33.9769 PRESSAVG: 21000 -5.05906 2.51456 -26.1739 2.51456 13.9129 41.1649 -26.1739 41.165 34.4539 GPRESSAVG: 21000 -5.18465 1.90559 -24.9527 5.26579 12.8451 42.3816 -27.8173 40.9804 35.3695 TIMING: 21000 CPU: 62.6355, 0.00297863/step Wall: 62.6355, 0.00297863/step, 4.11961 hours remaining, 197.230469 MB of memory in use. ENERGY: 21000 708.9093 1991.2602 1994.7571 106.9244 -206225.4388 17834.6623 0.0000 0.0000 34243.7758 -149345.1497 299.0594 -183588.9255 -149246.4523 298.6695 18.6505 47.6050 557660.6079 14.4359 14.3433 PRESSURE: 21200 -218.709 51.959 -235.659 51.9596 -364.656 -105.396 -235.66 -105.396 -212.703 GPRESSURE: 21200 -156.195 32.5507 -153.008 -64.8246 -394.207 -79.297 -289.211 -107.782 -152.033 PRESSAVG: 21200 -11.4483 53.2478 -71.8084 53.2477 3.79377 -5.93006 -71.8084 -5.92997 9.07186 GPRESSAVG: 21200 -9.81367 55.3508 -71.4605 49.2153 3.66784 -6.86869 -71.5661 -5.48372 7.52431 TIMING: 21200 CPU: 63.2342, 0.00299327/step Wall: 63.2342, 0.00299327/step, 4.13969 hours remaining, 197.300781 MB of memory in use. ENERGY: 21200 720.7224 2137.5698 1974.2932 116.8144 -205995.8458 17368.6276 0.0000 0.0000 34318.9777 -149358.8407 299.7162 -183677.8184 -149264.9851 298.6224 -265.3561 -234.1450 559269.7664 0.4724 0.4595 PRESSURE: 21400 -64.6016 -52.0955 134.356 -52.0964 -200.412 -60.6305 134.356 -60.629 -255.817 GPRESSURE: 21400 -39.6201 -93.6369 98.7681 23.5432 -125.664 -80.4962 21.7695 -43.0898 -256.343 PRESSAVG: 21400 38.4701 14.9216 -32.6621 14.9215 13.49 20.0946 -32.6621 20.0945 -75.0989 GPRESSAVG: 21400 38.1797 14.4672 -33.2616 16.6447 14.315 21.7447 -31.1126 19.5076 -75.0731 TIMING: 21400 CPU: 63.8285, 0.00297165/step Wall: 63.8285, 0.00297165/step, 4.10962 hours remaining, 197.300781 MB of memory in use. ENERGY: 21400 725.8611 2104.5604 1953.7823 109.5816 -205755.8016 17549.4353 0.0000 0.0000 34187.8417 -149124.7392 298.5709 -183312.5809 -149026.3904 299.0302 -173.6103 -140.5425 559758.2177 -7.7129 -7.5261 PRESSURE: 21600 42.6448 27.9999 53.2783 27.9996 -71.1534 197.104 53.279 197.104 53.0581 GPRESSURE: 21600 83.6517 -7.51711 54.1747 -1.07904 -85.3164 194.138 39.8334 208.161 129.69 PRESSAVG: 21600 28.6481 43.5144 0.761149 43.5144 -59.0203 3.37331 0.761064 3.37347 38.7192 GPRESSAVG: 21600 28.4765 46.2419 -0.776189 41.3961 -60.3897 3.40674 0.120071 1.86908 40.7013 TIMING: 21600 CPU: 64.4221, 0.00296781/step Wall: 64.4221, 0.00296781/step, 4.10415 hours remaining, 197.300781 MB of memory in use. ENERGY: 21600 737.8241 1997.4287 1970.5691 125.7354 -206075.6751 17788.1309 0.0000 0.0000 34314.0829 -149141.9040 299.6734 -183455.9869 -149043.8473 299.4075 8.1832 42.6751 557081.5373 2.7823 2.9294 PRESSURE: 21800 -6.63441 64.543 -116.686 64.5434 68.5888 172.768 -116.686 172.768 345.916 GPRESSURE: 21800 29.7175 121.713 -150.482 -15.2258 146.098 293.117 -197.592 115.881 327.799 PRESSAVG: 21800 -78.9895 31.9384 -87.0526 31.9384 19.9417 51.2664 -87.0526 51.2665 70.0117 GPRESSAVG: 21800 -78.4249 30.0332 -85.8827 33.0317 20.9704 48.857 -86.4139 52.7129 68.4757 TIMING: 21800 CPU: 65.0183, 0.00298099/step Wall: 65.0183, 0.00298099/step, 4.12221 hours remaining, 197.300781 MB of memory in use. ENERGY: 21800 771.1322 2064.7098 1970.0234 111.5317 -206597.5114 18114.3577 0.0000 0.0000 34246.9611 -149318.7956 299.0872 -183565.7567 -149220.6586 299.1629 135.9567 167.8715 556948.9752 3.6546 3.6737 PRESSURE: 22000 -65.6047 -207.711 43.6496 -207.711 56.3696 -65.9171 43.6498 -65.9177 153.058 GPRESSURE: 22000 38.0071 -194.568 27.8793 -244.979 48.9713 -108.468 28.7594 -19.7581 144.078 PRESSAVG: 22000 -12.8518 -44.9001 -59.4216 -44.9002 -4.79199 14.6208 -59.4216 14.6209 38.3006 GPRESSAVG: 22000 -13.793 -46.0641 -58.5052 -44.6136 -4.11286 15.9269 -59.1112 15.5689 38.687 TIMING: 22000 CPU: 65.6174, 0.00299571/step Wall: 65.6174, 0.00299571/step, 4.14241 hours remaining, 197.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 22000 706.3746 2122.5547 1930.2722 101.3312 -206423.8247 18023.7473 0.0000 0.0000 34248.0650 -149291.4797 299.0969 -183539.5448 -149197.4098 298.5659 47.9410 77.0190 558278.1042 6.8856 6.9270 PRESSURE: 22200 -302.409 -188.24 -138.269 -188.24 105.095 57.0368 -138.269 57.0368 419.753 GPRESSURE: 22200 -297.813 -275.278 -116.949 -186.751 159.841 74.2756 -142.893 13.8009 460.7 PRESSAVG: 22200 -24.0184 -22.7711 -22.132 -22.7711 40.6098 19.2419 -22.1319 19.2418 23.8432 GPRESSAVG: 22200 -24.0892 -22.137 -21.7196 -22.388 40.3475 20.1267 -24.661 17.0796 24.4538 TIMING: 22200 CPU: 66.2112, 0.00296896/step Wall: 66.2112, 0.00296896/step, 4.10524 hours remaining, 197.300781 MB of memory in use. ENERGY: 22200 731.7269 2108.8018 1955.4825 115.4568 -206780.5986 18263.3632 0.0000 0.0000 34260.9216 -149344.8457 299.2092 -183605.7673 -149245.0789 298.2436 74.1464 107.5757 558547.4040 13.4782 13.5707 PRESSURE: 22400 157.357 -136.782 192.054 -136.783 -313.535 106.597 192.056 106.598 -127.093 GPRESSURE: 22400 223.275 -82.1699 139.415 -111.528 -234.398 128.963 169.841 72.8599 -178.283 PRESSAVG: 22400 16.7185 -33.4798 -32.2111 -33.4798 -32.6364 -3.62531 -32.2112 -3.62539 8.11325 GPRESSAVG: 22400 16.5462 -33.4688 -33.4248 -34.9434 -31.974 -4.2154 -30.298 -2.58552 7.80122 TIMING: 22400 CPU: 66.8058, 0.00297279/step Wall: 66.8058, 0.00297279/step, 4.11038 hours remaining, 197.300781 MB of memory in use. ENERGY: 22400 729.7409 2079.3852 1949.2263 113.1092 -206091.6323 17692.8460 0.0000 0.0000 34154.7653 -149372.5592 298.2821 -183527.3245 -149276.0847 298.6835 -94.4236 -63.1352 557575.9501 -2.6016 -2.5422 PRESSURE: 22600 -116.336 -30.5065 -133.586 -30.5068 -184.909 -5.84467 -133.586 -5.84395 -88.1573 GPRESSURE: 22600 -97.1494 -54.0655 -157.056 5.95072 -170.115 67.7451 -152.975 -48.4366 -26.5991 PRESSAVG: 22600 8.84132 2.20497 30.8004 2.20499 -22.0254 5.87598 30.8005 5.87599 38.3448 GPRESSAVG: 22600 10.7322 3.482 31.319 3.49734 -23.4646 5.30697 31.4327 6.47514 37.532 TIMING: 22600 CPU: 67.3971, 0.00295675/step Wall: 67.3971, 0.00295675/step, 4.08804 hours remaining, 197.300781 MB of memory in use. ENERGY: 22600 758.6003 2063.3269 1908.2137 107.9982 -205944.0494 17572.6434 0.0000 0.0000 34219.0062 -149314.2607 298.8431 -183533.2669 -149211.3277 299.1247 -129.8006 -97.9545 557956.0452 8.3869 8.2665 PRESSURE: 22800 14.0199 -75.6776 31.7259 -75.6772 76.861 76.3578 31.7253 76.3571 46.0961 GPRESSURE: 22800 35.2323 -57.9818 -27.1292 -63.4332 134.823 71.3187 96.6154 90.8785 65.2532 PRESSAVG: 22800 52.6799 -7.27196 40.5991 -7.27183 -67.8068 11.3666 40.5991 11.3668 -7.80504 GPRESSAVG: 22800 49.5943 -5.9784 40.1826 -9.05493 -65.9627 11.6303 40.5942 11.3101 -7.06719 TIMING: 22800 CPU: 67.9884, 0.00295638/step Wall: 67.9884, 0.00295638/step, 4.08736 hours remaining, 197.300781 MB of memory in use. ENERGY: 22800 748.7263 2129.0954 1944.2328 110.1430 -206317.4593 17864.9826 0.0000 0.0000 34372.1381 -149148.1411 300.1804 -183520.2792 -149050.3346 299.0868 45.6590 78.4363 557059.2885 -7.6440 -7.8118 PRESSURE: 23000 -61.1754 141.86 45.559 141.859 72.7551 75.2228 45.5606 75.2243 262.888 GPRESSURE: 23000 -18.6096 153.166 21.5526 124.564 86.063 55.8872 60.1165 -91.546 323.105 PRESSAVG: 23000 26.1174 32.9185 -13.6065 32.9185 -41.0258 -37.6647 -13.6064 -37.6647 11.0655 GPRESSAVG: 23000 27.8628 32.0683 -13.0006 32.9899 -41.4078 -39.8286 -13.3182 -36.3272 9.48705 TIMING: 23000 CPU: 68.58, 0.00295788/step Wall: 68.58, 0.00295788/step, 4.08927 hours remaining, 197.300781 MB of memory in use. ENERGY: 23000 713.4701 2114.6472 1933.0816 110.4886 -206170.5670 17855.0101 0.0000 0.0000 34239.8766 -149203.9927 299.0254 -183443.8693 -149110.3866 298.9135 91.4891 130.1862 557254.6407 -1.2810 -1.3526 PRESSURE: 23200 -156.323 -101.141 -49.0087 -101.141 -245.453 -9.52499 -49.0085 -9.52566 -19.2525 GPRESSURE: 23200 -121.47 -64.6728 24.7728 -55.8836 -239.32 -128.73 -75.9479 13.08 36.5319 PRESSAVG: 23200 -10.0399 -34.0749 -63.9632 -34.0749 30.2954 64.2365 -63.9632 64.2365 4.49788 GPRESSAVG: 23200 -10.3727 -35.3744 -62.9439 -33.2324 29.9673 66.2364 -65.4596 62.5647 5.26034 TIMING: 23200 CPU: 69.1687, 0.00294353/step Wall: 69.1687, 0.00294353/step, 4.06926 hours remaining, 197.300781 MB of memory in use. ENERGY: 23200 737.9855 2063.4370 1983.5820 114.3951 -206262.6548 17772.5265 0.0000 0.0000 34506.2962 -149084.4325 301.3521 -183590.7287 -148978.4015 300.0053 -140.3429 -108.0859 557055.0896 8.2511 8.2850 PRESSURE: 23400 139.395 59.1699 -66.4133 59.1707 263.331 99.8647 -66.4149 99.8646 -59.6177 GPRESSURE: 23400 134.786 103.996 -21.0354 -7.7067 288.185 103.163 -33.3674 102.447 21.8129 PRESSAVG: 23400 1.07939 -37.4865 68.8526 -37.4865 56.1013 11.9156 68.8526 11.9157 -7.57382 GPRESSAVG: 23400 1.73831 -35.9513 69.164 -36.3705 55.4115 11.882 69.7804 11.6947 -7.26311 TIMING: 23400 CPU: 69.7633, 0.00297327/step Wall: 69.7633, 0.00297327/step, 4.11022 hours remaining, 197.300781 MB of memory in use. ENERGY: 23400 766.4351 2088.8885 1953.1034 125.6645 -206245.8503 18002.1344 0.0000 0.0000 34032.3245 -149277.2998 297.2128 -183309.6243 -149179.8594 299.4462 114.3695 148.2612 555773.9399 16.5356 16.6289 PRESSURE: 23600 52.573 -5.66904 -57.0518 -5.66748 21.7057 113.598 -57.0514 113.599 -1.24462 GPRESSURE: 23600 150.463 114.599 -80.6697 -36.0945 21.6066 108.967 1.58671 101.453 2.70292 PRESSAVG: 23600 -44.5262 2.87464 9.99793 2.87474 -12.1355 -10.784 9.99793 -10.784 12.9048 GPRESSAVG: 23600 -45.4088 3.23141 8.2946 2.49676 -10.8658 -10.9307 9.16276 -10.1305 12.678 TIMING: 23600 CPU: 70.3603, 0.00298503/step Wall: 70.3603, 0.00298503/step, 4.12631 hours remaining, 197.300781 MB of memory in use. ENERGY: 23600 777.2358 2091.3467 1924.1288 116.1191 -206397.0890 17967.7412 0.0000 0.0000 34328.5607 -149191.9567 299.7999 -183520.5174 -149099.2400 299.7166 24.3447 58.2573 557011.8947 -14.5856 -14.5322 PRESSURE: 23800 -88.2792 28.2701 48.9103 28.2716 134.643 51.2193 48.9117 51.2194 -192.863 GPRESSURE: 23800 6.60366 -54.8306 196.245 22.3667 127.961 41.2801 -12.9417 -48.5599 -183.65 PRESSAVG: 23800 37.543 46.0032 4.92977 46.0032 -9.91051 31.1623 4.92983 31.1623 -16.4707 GPRESSAVG: 23800 39.0355 43.2753 5.38489 46.3982 -11.1826 32.1625 5.90157 30.3512 -16.9007 TIMING: 23800 CPU: 70.9573, 0.00298476/step Wall: 70.9573, 0.00298476/step, 4.12577 hours remaining, 197.300781 MB of memory in use. ENERGY: 23800 741.9788 1994.3195 1920.0727 103.0924 -205740.1296 17607.0865 0.0000 0.0000 34368.8862 -149004.6935 300.1520 -183373.5797 -148906.2298 299.9134 -48.8333 -16.3618 557998.3421 3.7206 3.6507 PRESSURE: 24000 10.4008 25.9722 -79.3246 25.9725 -185.624 87.8393 -79.3253 87.8429 -154.317 GPRESSURE: 24000 63.491 -45.893 -82.3053 -6.96782 -137.557 12.0534 20.2619 116.924 -154.384 PRESSAVG: 24000 -28.9532 -19.7812 78.8822 -19.7813 45.2722 45.0173 78.8822 45.0173 -0.646696 GPRESSAVG: 24000 -29.4034 -17.4429 80.0822 -20.1188 45.2254 41.9042 79.1086 47.425 0.193888 TIMING: 24000 CPU: 71.5481, 0.0029542/step Wall: 71.5481, 0.0029542/step, 4.08336 hours remaining, 197.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 24000 744.8457 2107.8035 1971.6652 109.8639 -206181.3776 17817.4996 0.0000 0.0000 34391.3400 -149038.3596 300.3481 -183429.6996 -148936.2464 300.6183 -109.8469 -76.1500 557654.6265 5.2241 5.3387 PRESSURE: 24200 -34.2427 3.12415 4.88173 3.12356 4.05891 -102.556 4.88142 -102.556 -283.463 GPRESSURE: 24200 33.0349 40.9157 55.6789 49.1766 -11.022 59.9931 -28.7819 -251.897 -232.985 PRESSAVG: 24200 -26.428 -18.2346 -9.26666 -18.2348 71.4952 4.8896 -9.26676 4.88968 -18.2499 GPRESSAVG: 24200 -26.4023 -20.4077 -8.47509 -18.0321 72.1575 8.73761 -11.5406 3.24596 -18.8286 TIMING: 24200 CPU: 72.1386, 0.00295212/step Wall: 72.1386, 0.00295212/step, 4.08033 hours remaining, 197.300781 MB of memory in use. ENERGY: 24200 763.7689 2059.5597 1958.7585 110.5390 -205939.8852 17630.8984 0.0000 0.0000 34295.7001 -149120.6605 299.5129 -183416.3607 -149026.1318 300.0778 -104.5488 -70.3239 557148.0428 8.9391 8.9755 LDB: ============= START OF LOAD BALANCING ============== 75.6519 LDB: ============== END OF LOAD BALANCING =============== 75.6521 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 75.6535 LDB: ============= START OF LOAD BALANCING ============== 75.9543 LDB: Largest compute 4773 load 0.031322 is 26.6% of average load 0.117630 LDB: Average compute 0.001732 is 1.5% of average load 0.117630 LDB: TIME 75.9567 LOAD: AVG 0.11763 MAX 0.204456 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 198.398 MB LDB: TIME 75.957 LOAD: AVG 0.11763 MAX 0.204456 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 198.512 MB LDB: TIME 75.9571 LOAD: AVG 0.11763 MAX 0.204456 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 198.512 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 75.9588 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 75.9629 PRESSURE: 24400 -56.8127 -88.5112 38.6244 -88.51 74.1075 -207.548 38.6242 -207.549 14.2447 GPRESSURE: 24400 -58.2696 -139.53 -23.7123 -82.0893 172.198 -147.433 112.705 -234.442 16.1523 PRESSAVG: 24400 -27.664 -16.2862 36.8873 -16.2863 28.0874 -12.6777 36.8873 -12.6776 -11.3072 GPRESSAVG: 24400 -28.4599 -15.0687 32.8921 -15.8914 28.7464 -13.7265 38.4019 -13.0722 -11.126 TIMING: 24400 CPU: 72.7461, 0.00303792/step Wall: 72.7461, 0.00303792/step, 4.19874 hours remaining, 197.753906 MB of memory in use. ENERGY: 24400 771.8596 2108.6118 1938.4049 111.0318 -205929.5517 17818.3546 0.0000 0.0000 34251.0145 -148930.2745 299.1226 -183181.2890 -148837.4932 299.4323 10.5132 43.3601 558012.5246 -3.6279 -3.6132 PRESSURE: 24600 60.9141 154.631 164.075 154.63 -201.468 60.4264 164.075 60.426 99.2371 GPRESSURE: 24600 63.1009 84.7991 155.698 182.04 -156.085 9.73542 173.599 108.848 150.832 PRESSAVG: 24600 12.5478 -3.5892 8.38889 -3.58917 -26.8907 14.0737 8.38895 14.0738 51.7176 GPRESSAVG: 24600 13.4708 -3.90672 8.90022 -3.93857 -28.4131 15.0473 8.28911 14.0963 52.422 TIMING: 24600 CPU: 73.3408, 0.00297326/step Wall: 73.3408, 0.00297326/step, 4.10921 hours remaining, 198.011719 MB of memory in use. ENERGY: 24600 768.2788 2132.4914 1957.5168 118.8774 -205978.9970 17736.9497 0.0000 0.0000 34342.9808 -148921.9021 299.9258 -183264.8829 -148821.9501 299.7284 -13.7721 19.2823 558638.8311 12.4583 12.4932 PRESSURE: 24800 -96.0727 -18.3331 83.5566 -18.333 -83.9044 -24.6538 83.5582 -24.6531 -378.196 GPRESSURE: 24800 -11.0678 20.0066 107.092 -6.24458 -73.5277 21.1732 99.7188 -49.6519 -372.594 PRESSAVG: 24800 14.6776 -39.4094 28.5503 -39.4094 -37.8246 8.42104 28.5504 8.42111 39.1947 GPRESSAVG: 24800 13.6272 -39.945 28.0873 -39.6944 -36.7961 6.77846 27.7928 7.91458 39.2813 TIMING: 24800 CPU: 73.9316, 0.00295383/step Wall: 73.9316, 0.00295383/step, 4.08219 hours remaining, 198.011719 MB of memory in use. ENERGY: 24800 755.3810 2087.5624 1955.8622 104.8221 -205869.7447 17700.8107 0.0000 0.0000 34324.4730 -148940.8334 299.7642 -183265.3063 -148838.5760 299.7881 -186.0578 -152.3966 558523.0151 5.3492 5.3708 PRESSURE: 25000 31.0474 -68.0782 -15.7493 -68.0763 -187.804 -42.1683 -15.7488 -42.1673 32.5342 GPRESSURE: 25000 28.7097 -137.445 19.8684 47.5385 -110.005 -7.12467 -50.955 -67.3146 51.4706 PRESSAVG: 25000 -20.3226 -46.0337 58.1005 -46.0337 7.9818 60.0217 58.1004 60.0217 23.7353 GPRESSAVG: 25000 -20.345 -46.0733 58.7421 -45.8049 8.31123 59.2307 58.803 61.297 23.7977 TIMING: 25000 CPU: 74.5276, 0.00298026/step Wall: 74.5276, 0.00298026/step, 4.11855 hours remaining, 198.011719 MB of memory in use. ENERGY: 25000 762.6046 2110.1270 1935.2142 112.7286 -206002.3312 17805.5959 0.0000 0.0000 34397.6659 -148878.3950 300.4034 -183276.0608 -148786.4551 299.7226 -41.4074 -9.9415 560188.8320 3.7982 3.9213 PRESSURE: 25200 -10.476 107.596 -10.5462 107.597 -154.044 205.13 -10.5468 205.129 41.1554 GPRESSURE: 25200 34.2047 45.7506 -19.3338 82.841 -179.144 230.933 17.5735 111.317 112.197 PRESSAVG: 25200 -12.0351 -10.9889 28.1085 -10.989 -28.9017 33.8159 28.1085 33.816 49.4903 GPRESSAVG: 25200 -11.1612 -11.1706 28.0401 -12.2897 -29.9799 34.5865 27.8617 34.0077 49.4394 TIMING: 25200 CPU: 75.1264, 0.00299382/step Wall: 75.1264, 0.00299382/step, 4.13713 hours remaining, 198.082031 MB of memory in use. ENERGY: 25200 766.4873 2097.3533 1940.3538 111.4092 -205679.0466 17612.5646 0.0000 0.0000 34265.6510 -148885.2275 299.2505 -183150.8785 -148783.0264 300.1003 -41.1217 -10.9142 559499.1081 2.8512 2.7661 PRESSURE: 25400 293.016 70.099 -101.032 70.0996 98.1747 -80.1872 -101.032 -80.1862 -144.657 GPRESSURE: 25400 345.217 52.9196 -111.799 80.1416 132.872 -37.6184 -123.404 -112.453 -130.438 PRESSAVG: 25400 10.7909 -39.4834 33.472 -39.4834 -42.7001 36.6662 33.472 36.6663 24.4228 GPRESSAVG: 25400 10.8338 -39.026 34.34 -39.6105 -41.1449 37.6221 33.0442 33.9121 22.9994 TIMING: 25400 CPU: 75.7236, 0.00298597/step Wall: 75.7236, 0.00298597/step, 4.12612 hours remaining, 198.082031 MB of memory in use. ENERGY: 25400 739.4064 2128.6857 1936.1873 121.2206 -205937.6501 17945.6598 0.0000 0.0000 34353.8853 -148712.6049 300.0210 -183066.4902 -148617.5935 299.4516 82.1778 115.8838 559256.2056 -2.4955 -2.4372 PRESSURE: 25600 82.1121 15.8563 367.341 15.8564 52.0495 -5.10128 367.341 -5.10046 224.763 GPRESSURE: 25600 121.417 6.61728 289.476 95.3218 150.792 80.739 406.068 -40.3867 169.992 PRESSAVG: 25600 -39.6939 -30.5595 -55.0499 -30.5596 38.2359 28.3601 -55.05 28.36 -28.1686 GPRESSAVG: 25600 -40.2315 -31.1495 -55.1745 -27.2766 37.4713 28.6634 -55.9934 29.9956 -27.0255 TIMING: 25600 CPU: 76.3173, 0.00296879/step Wall: 76.3173, 0.00296879/step, 4.1022 hours remaining, 198.082031 MB of memory in use. ENERGY: 25600 750.2406 2116.1730 1950.5971 113.0989 -206041.7551 17940.5520 0.0000 0.0000 34504.2854 -148666.8081 301.3345 -183171.0935 -148569.8564 300.9180 119.6414 147.4003 557947.2471 -9.8755 -9.9286 PRESSURE: 25800 34.8085 -25.0001 -143.719 -24.9996 -93.6934 69.9993 -143.72 70.0004 -31.8663 GPRESSURE: 25800 80.43 12.9286 -126.466 3.77969 -3.38807 69.3441 -124.776 0.144505 -65.1866 PRESSAVG: 25800 -44.2679 17.5916 -56.2471 17.5916 -45.9944 24.1124 -56.2471 24.1125 51.7497 GPRESSAVG: 25800 -44.4136 18.056 -54.9024 16.017 -45.081 24.8437 -54.7764 23.6834 50.2706 TIMING: 25800 CPU: 76.9117, 0.00297193/step Wall: 76.9117, 0.00297193/step, 4.10638 hours remaining, 198.082031 MB of memory in use. ENERGY: 25800 773.3598 2075.8115 1957.9558 113.9613 -206006.2904 17806.2207 0.0000 0.0000 34361.7599 -148917.2212 300.0898 -183278.9812 -148827.0927 301.6760 -30.2504 3.9518 558889.1896 -12.8376 -13.0747 PRESSURE: 26000 -35.3037 -76.647 262.714 -76.6457 -376.078 -38.4196 262.714 -38.4192 -128.77 GPRESSURE: 26000 35.1984 19.7915 170.571 -174.658 -309.195 -39.1658 274.562 -66.4291 -161.08 PRESSAVG: 26000 -45.5139 -21.7363 6.02919 -21.7363 -20.4039 0.807112 6.02916 0.807067 64.8698 GPRESSAVG: 26000 -45.9759 -20.6582 4.46091 -22.6749 -20.8438 -1.93041 6.16675 0.893492 65.519 TIMING: 26000 CPU: 77.5079, 0.00298105/step Wall: 77.5079, 0.00298105/step, 4.11882 hours remaining, 198.285156 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: 26000 717.3157 2109.3205 1966.6710 110.3481 -206021.6717 17732.9119 0.0000 0.0000 34351.4872 -149033.6173 300.0001 -183385.1046 -148940.6637 299.6087 -180.0506 -145.0253 559772.5690 -0.3493 -0.4336 PRESSURE: 26200 -88.821 43.8972 11.8363 43.8977 166.265 -11.47 11.8366 -11.4716 60.4903 GPRESSURE: 26200 -25.8103 82.3469 -75.1748 -63.1143 130.507 27.8528 22.9551 -51.1747 129.959 PRESSAVG: 26200 10.559 -46.9273 -37.6867 -46.9273 -23.7506 8.54936 -37.6867 8.54934 49.2828 GPRESSAVG: 26200 11.1073 -48.6044 -38.8562 -47.0567 -24.1041 8.44197 -35.8001 8.39868 49.2034 TIMING: 26200 CPU: 78.1061, 0.00299086/step Wall: 78.1061, 0.00299086/step, 4.13221 hours remaining, 198.285156 MB of memory in use. ENERGY: 26200 712.7707 2081.2900 1959.0551 122.0405 -205861.7178 17759.4646 0.0000 0.0000 34305.2833 -148921.8136 299.5966 -183227.0969 -148824.4873 299.4811 45.9780 78.2186 558725.6992 12.0304 12.0688 PRESSURE: 26400 254.523 160.789 19.8721 160.789 44.7043 -92.9663 19.8722 -92.9668 109.096 GPRESSURE: 26400 230.328 211.596 46.915 153.024 48.6288 -73.1418 -12.7596 -153.985 214.164 PRESSAVG: 26400 23.6623 -8.66931 10.5078 -8.66937 7.93175 3.42695 10.5079 3.42695 12.0325 GPRESSAVG: 26400 22.244 -6.77423 9.40616 -8.63444 8.71087 4.10996 9.68435 4.17452 12.7415 TIMING: 26400 CPU: 78.7018, 0.00297839/step Wall: 78.7018, 0.00297839/step, 4.11481 hours remaining, 198.285156 MB of memory in use. ENERGY: 26400 737.4951 2123.6880 1942.6913 120.0315 -206249.8679 18113.8574 0.0000 0.0000 34222.8506 -148989.2539 298.8767 -183212.1046 -148889.2114 299.5441 136.1080 164.3735 557810.1435 14.5422 14.5654 PRESSURE: 26600 -243.072 14.7916 -14.1419 14.7923 83.6764 191.407 -14.1407 191.407 -253.697 GPRESSURE: 26600 -184.958 -15.381 4.95299 50.702 116.089 186.74 16.7832 144.629 -250.784 PRESSAVG: 26600 -35.2229 60.5947 6.63456 60.5947 68.19 48.8036 6.63454 48.8034 18.4193 GPRESSAVG: 26600 -34.1329 59.6485 8.50092 60.5739 68.3263 48.7091 6.63586 48.5751 17.5447 TIMING: 26600 CPU: 79.2961, 0.00297159/step Wall: 79.2961, 0.00297159/step, 4.10525 hours remaining, 198.285156 MB of memory in use. ENERGY: 26600 757.3936 2081.1489 1966.8903 108.8011 -205761.1423 17482.7242 0.0000 0.0000 34368.6367 -148995.5475 300.1499 -183364.1842 -148896.0117 299.8365 -137.6975 -106.5508 557863.8669 17.1288 17.2460 PRESSURE: 26800 -91.1191 -129.021 177.106 -129.022 291.229 17.0059 177.104 17.0065 185.825 GPRESSURE: 26800 27.2281 -79.8294 115.207 -47.5964 283.156 40.4748 135.994 25.1217 181.754 PRESSAVG: 26800 0.728778 -20.0731 25.2133 -20.0731 42.5131 58.1461 25.2133 58.1461 -38.7601 GPRESSAVG: 26800 1.42849 -19.3342 23.7868 -20.9157 42.1515 57.9369 23.4308 58.3229 -38.514 TIMING: 26800 CPU: 79.8836, 0.00293761/step Wall: 79.8836, 0.00293761/step, 4.05814 hours remaining, 198.285156 MB of memory in use. ENERGY: 26800 728.9076 2105.3849 1969.6104 110.0171 -206569.1502 18112.6403 0.0000 0.0000 34450.3652 -149092.2248 300.8636 -183542.5900 -148988.4934 299.7369 128.6452 164.0462 557993.7523 1.4939 1.6887 PRESSURE: 27000 58.3102 -189.346 59.0082 -189.346 98.7786 -10.0061 59.0075 -10.0086 73.0236 GPRESSURE: 27000 107.511 -89.8568 119.247 -195.319 131.362 -33.8799 14.16 -24.2633 86.976 PRESSAVG: 27000 -41.584 1.51711 -18.0288 1.51712 20.2214 6.77334 -18.0289 6.77326 12.3463 GPRESSAVG: 27000 -41.6236 0.612227 -16.5135 2.49399 19.9429 7.0862 -17.772 7.15576 12.6649 TIMING: 27000 CPU: 80.4722, 0.00294316/step Wall: 80.4722, 0.00294316/step, 4.06565 hours remaining, 198.285156 MB of memory in use. ENERGY: 27000 754.6568 2090.2953 1955.9068 111.1212 -206528.8691 18073.1216 0.0000 0.0000 34399.3840 -149144.3833 300.4184 -183543.7674 -149038.0549 300.2571 76.7041 108.6163 556371.0752 -3.0054 -3.0053 PRESSURE: 27200 30.3592 -14.5569 -118.876 -14.5576 203.06 -112.503 -118.877 -112.503 21.6089 GPRESSURE: 27200 82.1708 -29.6312 8.31556 -33.1248 200.67 -68.843 -120.798 -50.5486 67.2587 PRESSAVG: 27200 4.07252 -2.08575 -20.4487 -2.08578 13.6963 77.3578 -20.4487 77.3578 35.197 GPRESSAVG: 27200 4.026 -4.36533 -21.7341 -0.990614 14.1185 78.9267 -17.284 77.151 34.847 TIMING: 27200 CPU: 81.0597, 0.00293736/step Wall: 81.0597, 0.00293736/step, 4.05747 hours remaining, 198.285156 MB of memory in use. ENERGY: 27200 764.9583 2140.3223 1962.0356 109.3025 -206391.2444 17874.1748 0.0000 0.0000 34218.2409 -149322.2100 298.8364 -183540.4509 -149218.7635 299.4196 85.0095 116.6999 556274.6356 17.6553 17.6638 PRESSURE: 27400 114.168 -51.3638 -50.1699 -51.3639 -94.4014 57.7521 -50.1703 57.7538 22.2901 GPRESSURE: 27400 181.226 -139.681 -55.4896 -119.949 -37.6572 -3.93017 -101.644 50.8265 -9.77315 PRESSAVG: 27400 -50.7496 -14.1195 -0.974896 -14.1195 -4.34194 0.784237 -0.974875 0.784217 29.0507 GPRESSAVG: 27400 -51.1648 -14.5188 -3.38772 -14.2462 -3.87146 -1.51563 -2.1531 1.6039 28.8695 TIMING: 27400 CPU: 81.6523, 0.00296271/step Wall: 81.6523, 0.00296271/step, 4.09233 hours remaining, 198.285156 MB of memory in use. ENERGY: 27400 728.8401 2103.1322 1933.2836 106.9563 -206500.4199 17883.1815 0.0000 0.0000 34332.0035 -149413.0227 299.8299 -183745.0262 -149313.8255 298.7885 14.0190 44.5985 557668.7532 -8.6803 -8.7222 PRESSURE: 27600 19.6953 -73.9234 8.57422 -73.9224 352.358 -279.539 8.57417 -279.539 147.306 GPRESSURE: 27600 94.0928 -13.1119 26.9135 -83.9644 394.957 -118.888 13.7774 -334.009 129.602 PRESSAVG: 27600 -14.9455 -23.6673 4.87944 -23.6673 30.7062 18.0499 4.87941 18.0499 9.11632 GPRESSAVG: 27600 -14.7374 -21.9633 8.30828 -24.4769 30.5793 19.9393 4.26164 17.0408 8.51467 TIMING: 27600 CPU: 82.248, 0.00297886/step Wall: 82.248, 0.00297886/step, 4.11447 hours remaining, 198.285156 MB of memory in use. ENERGY: 27600 764.2486 2113.1558 1972.2850 96.6150 -206719.0101 18255.8735 0.0000 0.0000 34151.4272 -149365.4051 298.2529 -183516.8323 -149274.1485 298.3623 173.1195 206.2173 557407.1698 8.2924 8.1188 PRESSURE: 27800 -30.1561 256.677 117.03 256.677 133.869 62.9042 117.03 62.9041 147.121 GPRESSURE: 27800 37.9736 325.791 148.252 157.63 154.161 -36.2043 64.8789 121.525 161.897 PRESSAVG: 27800 16.5828 12.3117 25.1828 12.3117 -4.28982 28.0518 25.1827 28.0518 57.6578 GPRESSAVG: 27800 17.145 13.2403 26.0058 14.0209 -5.71143 28.7788 24.5276 28.2126 58.8519 TIMING: 27800 CPU: 82.8382, 0.00295091/step Wall: 82.8382, 0.00295091/step, 4.0757 hours remaining, 198.285156 MB of memory in use. ENERGY: 27800 704.3738 2137.5893 1967.2905 115.7575 -206613.6956 17948.8394 0.0000 0.0000 34287.1968 -149452.6481 299.4386 -183739.8449 -149359.0568 299.2003 83.6113 118.0104 556671.5165 23.3169 23.4285 PRESSURE: 28000 -122.049 -16.7474 -237.49 -16.7472 121.058 39.1112 -237.488 39.1105 -71.2745 GPRESSURE: 28000 -126.995 -56.5365 -260.628 39.546 121.606 60.766 -151.247 87.3204 18.09 PRESSAVG: 28000 -54.721 13.666 -18.4768 13.666 38.7948 -34.2692 -18.4768 -34.2692 33.8119 GPRESSAVG: 28000 -55.588 14.3181 -20.172 13.0879 40.2389 -34.9158 -16.9176 -34.0407 32.9836 TIMING: 28000 CPU: 83.4305, 0.00296134/step Wall: 83.4305, 0.00296134/step, 4.08994 hours remaining, 198.285156 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: 28000 750.7206 2111.9179 1911.3614 118.4266 -206290.7639 17780.8094 0.0000 0.0000 34327.8305 -149289.6975 299.7935 -183617.5281 -149192.9376 298.6443 -24.0884 4.2335 557027.6345 5.9619 5.8782 PRESSURE: 28200 -140.68 54.7313 10.1773 54.7319 80.1106 58.784 10.1771 58.785 158.898 GPRESSURE: 28200 -86.6854 110.161 12.7006 73.693 67.7154 -3.5572 -2.54465 35.1152 223.006 PRESSAVG: 28200 -12.8161 1.08112 -10.9932 1.08108 -4.70344 39.4935 -10.9932 39.4936 -26.5042 GPRESSAVG: 28200 -11.4293 -2.15622 -9.69366 0.115597 -5.49449 39.9646 -11.9587 39.1223 -27.3296 TIMING: 28200 CPU: 84.018, 0.00293774/step Wall: 84.018, 0.00293774/step, 4.05719 hours remaining, 198.285156 MB of memory in use. ENERGY: 28200 751.3665 2063.9275 1928.4260 132.7396 -206258.9392 17882.7047 0.0000 0.0000 34320.7712 -149179.0036 299.7318 -183499.7748 -149090.7716 299.3443 32.7763 68.0120 557229.5509 -14.6746 -14.7511 LDB: ============= START OF LOAD BALANCING ============== 87.5314 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 87.5315 LDB: =============== DONE WITH MIGRATION ================ 87.533 LDB: ============= START OF LOAD BALANCING ============== 87.828 LDB: Largest compute 4773 load 0.030552 is 26.0% of average load 0.117615 LDB: Average compute 0.001727 is 1.5% of average load 0.117615 LDB: TIME 87.8304 LOAD: AVG 0.117615 MAX 0.203594 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 197.629 MB LDB: TIME 87.8306 LOAD: AVG 0.117615 MAX 0.203594 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 197.688 MB LDB: TIME 87.8307 LOAD: AVG 0.117615 MAX 0.203594 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 197.688 MB LDB: ============== END OF LOAD BALANCING =============== 87.8324 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 87.8363 PRESSURE: 28400 -710.146 57.8356 6.65715 57.8356 -192.737 -80.4716 6.65645 -80.471 -371.044 GPRESSURE: 28400 -590.911 52.5093 -30.7711 32.0005 -245.327 -141.346 -2.86903 -47.9886 -341.477 PRESSAVG: 28400 -28.5736 -38.1546 5.62739 -38.1546 -3.39056 3.23119 5.62733 3.231 65.4959 GPRESSAVG: 28400 -28.381 -37.7228 3.81512 -35.6851 -4.68418 2.31389 7.60532 4.71557 66.8296 TIMING: 28400 CPU: 84.6196, 0.0030078/step Wall: 84.6196, 0.0030078/step, 4.15377 hours remaining, 197.628906 MB of memory in use. ENERGY: 28400 791.1202 2076.9498 1959.0012 112.6644 -205795.5508 17365.1512 0.0000 0.0000 34253.5292 -149237.1347 299.1446 -183490.6640 -149140.1691 299.1214 -424.6424 -392.5718 559035.3599 11.1772 11.2548 PRESSURE: 28600 -29.2089 17.6619 100.962 17.6617 161.472 106.524 100.963 106.524 79.783 GPRESSURE: 28600 56.1218 1.93568 131.956 -13.3152 116.245 -14.0801 85.2887 113.685 135.607 PRESSAVG: 28600 -26.7175 -4.77254 29.6251 -4.77253 72.7857 -8.53592 29.6252 -8.53596 -14.3972 GPRESSAVG: 28600 -27.276 -3.76683 29.4368 -6.65991 73.2782 -7.90006 28.0064 -11.2524 -14.6908 TIMING: 28600 CPU: 85.2173, 0.0029885/step Wall: 85.2173, 0.0029885/step, 4.12695 hours remaining, 197.628906 MB of memory in use. ENERGY: 28600 695.0751 2102.1951 1922.0990 119.2893 -206356.6188 17764.0447 0.0000 0.0000 34468.5269 -149285.3886 301.0222 -183753.9156 -149184.6617 298.7317 70.6822 102.6581 556599.9405 10.5570 10.4371 PRESSURE: 28800 -66.9955 -122.91 86.0562 -122.91 -291.037 -193.131 86.0566 -193.132 -0.201558 GPRESSURE: 28800 33.6807 -136.508 122.78 -44.6966 -303.849 -195.035 97.7387 -178.896 19.3535 PRESSAVG: 28800 37.0686 40.0337 4.55159 40.0338 29.8426 -45.3145 4.5517 -45.3146 -13.5631 GPRESSAVG: 28800 37.4364 40.6389 4.9546 38.8342 29.5907 -46.3152 4.58873 -42.4465 -13.4198 TIMING: 28800 CPU: 85.8154, 0.00299045/step Wall: 85.8154, 0.00299045/step, 4.12948 hours remaining, 197.753906 MB of memory in use. ENERGY: 28800 724.2592 2085.9286 1929.2324 116.3359 -205494.7639 17482.6745 0.0000 0.0000 33993.8571 -149162.4762 296.8768 -183156.3333 -149065.9012 299.0546 -119.4115 -83.6049 558019.5741 17.7827 17.8691 PRESSURE: 29000 38.1477 -78.7559 -19.2698 -78.7562 365.884 -9.25196 -19.2705 -9.25125 96.733 GPRESSURE: 29000 53.9196 -21.299 -24.2329 -134.124 379.317 38.4306 -50.5242 -6.55799 164.915 PRESSAVG: 29000 -33.7057 29.9496 -10.3719 29.9496 7.27964 -13.775 -10.3718 -13.7751 -19.8658 GPRESSAVG: 29000 -34.0584 31.3874 -10.436 30.8694 7.61811 -11.6515 -9.98728 -16.3151 -20.0473 TIMING: 29000 CPU: 86.4114, 0.00298011/step Wall: 86.4114, 0.00298011/step, 4.11503 hours remaining, 197.753906 MB of memory in use. ENERGY: 29000 745.2169 2130.9239 1944.0433 121.3084 -206427.2113 18073.7410 0.0000 0.0000 34243.5899 -149168.3878 299.0578 -183411.9777 -149067.3929 299.5080 166.9215 199.3839 557032.5468 -15.4306 -15.4959 PRESSURE: 29200 129.824 119.76 16.8961 119.762 3.72177 -41.3465 16.8951 -41.3466 -229.906 GPRESSURE: 29200 190.586 189.547 17.6977 140.76 21.709 -111.718 -28.3567 27.2333 -211.425 PRESSAVG: 29200 12.7606 18.4709 -17.8304 18.4708 9.20811 -67.0965 -17.8305 -67.0965 -18.2342 GPRESSAVG: 29200 11.8069 17.3055 -18.0815 19.1623 10.2504 -68.1503 -17.8421 -63.4395 -18.6851 TIMING: 29200 CPU: 87.0049, 0.00296744/step Wall: 87.0049, 0.00296744/step, 4.09737 hours remaining, 197.753906 MB of memory in use. ENERGY: 29200 771.7669 2169.2135 1943.7788 111.8544 -206147.9673 17742.3976 0.0000 0.0000 34226.0581 -149182.8979 298.9047 -183408.9561 -149084.5469 299.0753 -32.1202 0.2900 557097.9194 1.2448 1.1241 PRESSURE: 29400 -238.795 141.655 -38.7198 141.654 -172.132 147.128 -38.7196 147.128 -352.985 GPRESSURE: 29400 -225.292 156.841 38.6161 121.724 -105.003 128.005 -142.213 216.165 -325.293 PRESSAVG: 29400 -42.3499 34.282 0.931851 34.282 -20.1699 -21.4006 0.9319 -21.4005 82.7102 GPRESSAVG: 29400 -42.1497 33.6931 1.6072 34.6658 -19.9622 -22.8815 -0.746484 -21.5506 82.4686 TIMING: 29400 CPU: 87.5955, 0.00295283/step Wall: 87.5955, 0.00295283/step, 4.07703 hours remaining, 197.753906 MB of memory in use. ENERGY: 29400 790.0677 2137.9079 1908.9682 118.7793 -206057.1073 17603.3327 0.0000 0.0000 34305.0819 -149192.9696 299.5948 -183498.0515 -149098.2459 299.7493 -254.6371 -218.5293 558032.6061 6.7301 6.7856 PRESSURE: 29600 -199.16 -51.4441 -80.501 -51.4444 34.8951 78.8838 -80.5019 78.8853 -321.924 GPRESSURE: 29600 -204.391 -102.258 -55.4868 -49.2414 88.9923 157.214 -110.015 -25.4131 -270.977 PRESSAVG: 29600 -81.7855 -12.983 -29.2468 -12.983 47.0679 36.9618 -29.2468 36.9618 -13.8655 GPRESSAVG: 29600 -80.8861 -11.9202 -28.4352 -14.7973 45.3988 38.5722 -26.0046 35.2196 -13.5117 TIMING: 29600 CPU: 88.2072, 0.00305869/step Wall: 88.2072, 0.00305869/step, 4.22302 hours remaining, 197.957031 MB of memory in use. ENERGY: 29600 765.4333 2077.5913 1942.1258 108.0136 -206220.9506 17640.8418 0.0000 0.0000 34512.8022 -149174.1427 301.4089 -183686.9448 -149076.7321 300.7039 -162.0630 -128.7919 557715.9587 -16.1943 -16.3330 PRESSURE: 29800 -186.417 -138.544 -58.5138 -138.543 232.818 8.35864 -58.5127 8.35971 -184.093 GPRESSURE: 29800 -106.705 -122.421 -20.3798 -189.545 248.214 -36.9459 -11.2295 17.7519 -176.668 PRESSAVG: 29800 -6.04978 0.451544 -21.0747 0.451652 -9.50708 4.96985 -21.0748 4.96979 25.3315 GPRESSAVG: 29800 -7.3361 -0.806965 -23.4283 2.10853 -8.68207 3.37124 -19.2891 5.01206 25.8616 TIMING: 29800 CPU: 88.8175, 0.00305162/step Wall: 88.8175, 0.00305162/step, 4.21309 hours remaining, 197.957031 MB of memory in use. ENERGY: 29800 793.5679 2109.6542 1946.9217 111.1477 -206867.4055 18128.3266 0.0000 0.0000 34315.4552 -149462.3323 299.6854 -183777.7875 -149362.5079 299.3325 -45.8974 -11.7198 556832.7886 3.2582 3.2811 PRESSURE: 30000 -191.235 10.6138 -228.541 10.6154 -128.51 14.8479 -228.541 14.8474 -59.3702 GPRESSURE: 30000 -156.748 18.8329 -249.11 -121.118 -69.6466 -40.3775 -113.016 42.8073 -58.3067 PRESSAVG: 30000 22.6285 53.8468 -78.995 53.8468 -5.81713 -26.331 -78.995 -26.331 15.1304 GPRESSAVG: 30000 24.6742 55.5523 -77.549 51.7562 -6.87773 -24.721 -82.37 -26.1038 14.6717 TIMING: 30000 CPU: 89.4166, 0.00299538/step Wall: 89.4166, 0.00299538/step, 4.13528 hours remaining, 197.957031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 30000 773.5944 2065.6216 1945.9971 111.5394 -206262.7473 17641.0620 0.0000 0.0000 34230.4833 -149494.4494 298.9433 -183724.9327 -149397.6611 298.2727 -126.3717 -94.9005 556802.2852 10.6473 10.8227 PRESSURE: 30200 -142.696 69.0227 -78.5984 69.0237 125.852 25.5232 -78.5985 25.5226 109.002 GPRESSURE: 30200 -111.205 116.316 -81.5187 48.2839 138.748 91.4666 -123.326 -40.3364 161.838 PRESSAVG: 30200 -10.3997 63.3226 -30.0381 63.3226 -7.14281 28.1014 -30.0381 28.1015 48.9897 GPRESSAVG: 30200 -12.0849 62.5173 -29.7342 62.3711 -5.86624 27.4649 -29.8013 27.4242 48.8785 TIMING: 30200 CPU: 90.014, 0.002987/step Wall: 90.014, 0.002987/step, 4.12355 hours remaining, 197.957031 MB of memory in use. ENERGY: 30200 740.1960 2140.3355 1912.7690 110.8394 -206546.1995 17984.0649 0.0000 0.0000 34290.4398 -149367.5548 299.4669 -183657.9947 -149274.4929 299.0176 30.7192 63.1272 556999.0953 10.4824 10.3091 PRESSURE: 30400 30.3581 103.326 -26.566 103.327 -128.295 -18.6846 -26.566 -18.6848 233.9 GPRESSURE: 30400 48.1591 38.1539 33.1723 124.298 -49.2766 -45.7113 0.969182 49.2172 240.315 PRESSAVG: 30400 -38.8756 2.45148 -36.2122 2.45146 -30.0431 -10.9159 -36.2122 -10.9159 47.0161 GPRESSAVG: 30400 -38.0508 -0.494451 -36.1866 6.13482 -31.1853 -10.1695 -35.6058 -9.75174 47.2926 TIMING: 30400 CPU: 90.6124, 0.0029919/step Wall: 90.6124, 0.0029919/step, 4.13015 hours remaining, 197.957031 MB of memory in use. ENERGY: 30400 758.9200 2024.7420 1962.3668 112.8961 -206574.4413 17943.9133 0.0000 0.0000 34147.9162 -149623.6868 298.2222 -183771.6031 -149524.1695 298.5235 45.3212 79.7325 557528.9412 -7.3009 -7.3145 PRESSURE: 30600 -34.6379 1.3377 -65.0776 1.33742 218.377 -317.548 -65.0779 -317.548 -90.9514 GPRESSURE: 30600 -11.8643 40.3605 -15.6598 -25.2655 255.889 -306.533 -9.66812 -218.831 -47.496 PRESSAVG: 30600 -61.1221 41.0583 -35.5075 41.0582 -0.536491 -37.1978 -35.5075 -37.1978 55.407 GPRESSAVG: 30600 -61.5134 43.176 -34.503 39.9298 -0.82368 -38.1882 -36.431 -36.5257 55.66 TIMING: 30600 CPU: 91.2062, 0.00296922/step Wall: 91.2062, 0.00296922/step, 4.09868 hours remaining, 197.957031 MB of memory in use. ENERGY: 30600 771.7928 2055.3429 1938.4491 114.6238 -206370.1300 17952.2176 0.0000 0.0000 34047.1862 -149490.5176 297.3425 -183537.7038 -149397.9925 298.2043 30.9292 65.5096 557780.1570 -2.0839 -2.2257 PRESSURE: 30800 -285.619 5.4149 -63.6448 5.41455 -103.428 -99.7742 -63.6459 -99.7752 -62.9439 GPRESSURE: 30800 -306.044 19.4412 -82.1536 -5.73945 -54.5617 -103.038 -17.5761 -109.891 -4.19524 PRESSAVG: 30800 -14.5034 17.9617 14.385 17.9616 50.5324 -20.4681 14.3849 -20.4682 -27.8673 GPRESSAVG: 30800 -13.7507 18.3299 12.9211 17.5957 50.6099 -18.3202 14.1047 -22.8504 -28.4691 TIMING: 30800 CPU: 91.7988, 0.00296288/step Wall: 91.7988, 0.00296288/step, 4.08976 hours remaining, 197.957031 MB of memory in use. ENERGY: 30800 750.7917 2115.5503 1947.3382 108.6092 -206151.3037 17575.7658 0.0000 0.0000 34255.8321 -149397.4164 299.1647 -183653.2485 -149300.8972 298.6368 -150.6637 -121.6002 557319.1255 2.7206 2.7967 PRESSURE: 31000 -29.6529 53.3393 21.6766 53.3395 36.1622 33.3027 21.6762 33.3031 -291.007 GPRESSURE: 31000 0.858443 92.1543 21.624 41.2705 -3.29832 17.3848 25.0708 77.5832 -190.779 PRESSAVG: 31000 -55.3006 24.4666 34.2706 24.4667 144.891 9.55127 34.2707 9.55133 -44.1206 GPRESSAVG: 31000 -55.7458 25.7281 34.4585 23.7027 145.291 5.33963 35.3196 12.1191 -43.9681 TIMING: 31000 CPU: 92.3892, 0.00295214/step Wall: 92.3892, 0.00295214/step, 4.07477 hours remaining, 197.957031 MB of memory in use. ENERGY: 31000 748.0985 2137.3811 1936.4805 103.5506 -206262.7470 17718.8369 0.0000 0.0000 34107.4908 -149510.9086 297.8692 -183618.3994 -149412.9286 298.4683 -94.8327 -64.4064 557363.6136 15.1566 15.1924 PRESSURE: 31200 105.727 -26.2634 -44.3904 -26.2649 -131.801 -66.2017 -44.3908 -66.2022 114.817 GPRESSURE: 31200 150.009 11.7165 40.5099 -21.2457 -161.807 -91.9026 -145.042 -19.6826 192.718 PRESSAVG: 31200 -21.0186 -17.7987 17.7215 -17.7988 5.83839 -28.7696 17.7215 -28.7696 -19.7731 GPRESSAVG: 31200 -19.9901 -19.9178 17.9194 -15.4809 4.38281 -28.8516 15.6553 -29.1677 -20.5184 TIMING: 31200 CPU: 92.9803, 0.00295537/step Wall: 92.9803, 0.00295537/step, 4.07906 hours remaining, 197.957031 MB of memory in use. ENERGY: 31200 732.2338 2123.7376 1925.3506 121.4821 -206413.9899 17915.4162 0.0000 0.0000 34128.9584 -149466.8112 298.0567 -183595.7697 -149372.1305 297.9289 29.5811 60.3066 557453.5840 -11.6511 -12.0419 PRESSURE: 31400 21.0653 93.9776 135.196 93.9774 231.644 16.3399 135.196 16.34 -186.26 GPRESSURE: 31400 51.4826 90.2154 83.575 2.98754 240.681 30.8057 139.697 20.0444 -133.254 PRESSAVG: 31400 18.6701 67.6357 17.3675 67.6355 -56.9832 2.07262 17.3675 2.07256 15.3525 GPRESSAVG: 31400 18.2551 66.9561 17.3675 66.7618 -56.1546 4.72817 18.7744 1.14465 14.7525 TIMING: 31400 CPU: 93.5744, 0.00297035/step Wall: 93.5744, 0.00297035/step, 4.09957 hours remaining, 197.957031 MB of memory in use. ENERGY: 31400 779.6393 2109.2756 1935.0586 103.0866 -206833.1751 18057.4234 0.0000 0.0000 34278.8639 -149569.8276 299.3658 -183848.6915 -149480.0828 298.4843 22.1497 52.9696 556218.6179 -7.6535 -7.7157 PRESSURE: 31600 -49.2552 55.2439 108.35 55.2442 -9.13466 -116.555 108.349 -116.551 17.405 GPRESSURE: 31600 -26.3026 164.688 42.5239 16.6006 19.1615 -86.3073 177.278 -117.451 66.64 PRESSAVG: 31600 25.4824 71.8375 26.2246 71.8375 14.1712 -12.1871 26.2245 -12.1871 -7.61632 GPRESSAVG: 31600 23.8556 73.5903 25.9941 69.4882 15.0971 -10.6664 25.1491 -12.1381 -6.79256 TIMING: 31600 CPU: 94.1675, 0.00296546/step Wall: 94.1675, 0.00296546/step, 4.09266 hours remaining, 197.957031 MB of memory in use. ENERGY: 31600 743.8471 2147.4245 1928.9472 115.4462 -206634.4311 17935.2716 0.0000 0.0000 34372.2740 -149391.2204 300.1816 -183763.4944 -149288.4080 298.9447 -13.6616 19.8330 557486.5442 10.6791 10.7200 PRESSURE: 31800 127.734 51.1688 46.6578 51.1697 -149.775 57.817 46.6573 57.8163 7.268 GPRESSURE: 31800 75.3592 -5.94363 108.569 17.8782 -85.5842 23.3297 54.8221 43.7287 88.8399 PRESSAVG: 31800 0.281105 36.9735 7.33218 36.9735 7.59724 -33.2559 7.3322 -33.2558 -20.4494 GPRESSAVG: 31800 2.70829 36.5725 9.00296 37.1505 5.70099 -35.3661 9.84392 -32.2927 -20.9012 TIMING: 31800 CPU: 94.763, 0.00297792/step Wall: 94.763, 0.00297792/step, 4.10969 hours remaining, 197.957031 MB of memory in use. ENERGY: 31800 752.8290 2072.8382 1937.7700 117.1276 -206524.1636 17910.2149 0.0000 0.0000 34311.5601 -149421.8237 299.6514 -183733.3838 -149318.0108 298.6826 -4.9243 26.2050 555992.0331 -4.1903 -4.1640 PRESSURE: 32000 199.49 102.854 -135.821 102.855 82.8686 71.5367 -135.82 71.5376 71.977 GPRESSURE: 32000 277.42 109.683 -100.396 59.3341 118.212 -12.2584 -220.084 124.13 46.4254 PRESSAVG: 32000 -9.01933 34.507 -58.4492 34.507 -35.7145 -19.8273 -58.4492 -19.8273 43.6547 GPRESSAVG: 32000 -9.92456 33.5488 -60.2589 34.4195 -36.1572 -19.6164 -58.754 -19.9136 44.541 TIMING: 32000 CPU: 95.3618, 0.00299393/step Wall: 95.3618, 0.00299393/step, 4.13162 hours remaining, 197.957031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 32000 705.8211 2126.0202 1952.6734 117.9786 -206673.0152 18000.2863 0.0000 0.0000 34413.3664 -149356.8691 300.5405 -183770.2356 -149261.8707 298.9328 118.1119 147.3525 556209.6078 -0.3597 -0.5136 PRESSURE: 32200 145.759 33.4652 -136.181 33.4661 -94.3955 -64.1428 -136.18 -64.1434 -114.544 GPRESSURE: 32200 179.461 129.205 -162.251 -104.249 -80.0288 -12.7923 -154.689 -56.207 -67.1803 PRESSAVG: 32200 -8.65411 95.6685 3.36138 95.6686 -25.4822 -10.7629 3.36136 -10.7628 42.2059 GPRESSAVG: 32200 -9.27197 96.6892 3.53067 96.211 -25.2086 -9.00547 0.121956 -12.8704 42.2281 TIMING: 32200 CPU: 95.9566, 0.00297411/step Wall: 95.9566, 0.00297411/step, 4.10411 hours remaining, 197.957031 MB of memory in use. ENERGY: 32200 713.9748 2091.1552 1957.5826 110.4339 -206366.8997 17827.4240 0.0000 0.0000 34124.1703 -149542.1589 298.0149 -183666.3292 -149454.4377 298.4159 -21.0602 10.7506 557845.8413 2.6899 2.5825 LDB: ============= START OF LOAD BALANCING ============== 99.4735 LDB: ============== END OF LOAD BALANCING =============== 99.4737 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 99.4752 LDB: ============= START OF LOAD BALANCING ============== 99.7733 LDB: Largest compute 4773 load 0.029850 is 25.4% of average load 0.117723 LDB: Average compute 0.001726 is 1.5% of average load 0.117723 LDB: TIME 99.7758 LOAD: AVG 0.117723 MAX 0.204514 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 199.938 MB LDB: TIME 99.776 LOAD: AVG 0.117723 MAX 0.204514 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200 MB LDB: TIME 99.7761 LOAD: AVG 0.117723 MAX 0.204514 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 99.7779 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 99.7819 PRESSURE: 32400 -233.237 146.26 -62.6664 146.259 242.452 23.1899 -62.6663 23.1895 42.7725 GPRESSURE: 32400 -139.766 148.609 -64.1021 117.217 214.877 96.9185 -148.652 -34.2721 72.6205 PRESSAVG: 32400 56.0954 -0.894676 -15.3378 -0.89465 -43.6759 -42.3122 -15.3378 -42.3122 -17.4003 GPRESSAVG: 32400 56.4126 -1.86375 -15.0579 -0.48145 -43.1052 -43.2857 -13.6445 -42.4377 -18.2015 TIMING: 32400 CPU: 96.5652, 0.00304276/step Wall: 96.5652, 0.00304276/step, 4.19867 hours remaining, 197.476562 MB of memory in use. ENERGY: 32400 732.6819 2091.2557 1919.2320 110.3294 -206829.9329 18105.1674 0.0000 0.0000 34390.3271 -149480.9394 300.3393 -183871.2665 -149382.8053 298.3819 17.3292 49.2438 557939.3765 -1.6602 -1.6314 PRESSURE: 32600 50.4517 77.6018 -11.1114 77.6 31.3771 95.0029 -11.1114 95.0052 -73.2296 GPRESSURE: 32600 123.661 87.134 2.00888 99.3395 18.7004 62.4646 3.3777 60.3522 -42.4354 PRESSAVG: 32600 -58.5647 -0.769839 -5.07038 -0.769839 17.8851 13.4921 -5.07046 13.4919 25.9601 GPRESSAVG: 32600 -58.8803 -0.907231 -3.79322 -2.49466 15.8368 13.6011 -5.35673 14.471 27.7813 TIMING: 32600 CPU: 97.1591, 0.00296943/step Wall: 97.1591, 0.00296943/step, 4.09732 hours remaining, 197.476562 MB of memory in use. ENERGY: 32600 755.8409 2080.5165 1947.2126 126.8255 -206440.4767 17917.0594 0.0000 0.0000 34130.3216 -149482.7002 298.0686 -183613.0218 -149387.4969 298.7780 2.8664 33.3087 558412.7122 -4.9065 -5.0874 PRESSURE: 32800 -63.7574 229.238 -123.118 229.236 38.9934 142.262 -123.118 142.261 -70.8249 GPRESSURE: 32800 -11.5134 175.037 -50.7583 243.543 37.3174 196.666 -217.372 112.551 -20.1067 PRESSAVG: 32800 -4.69615 -25.5978 18.3927 -25.5978 -14.0867 62.9634 18.3928 62.9634 28.6228 GPRESSAVG: 32800 -6.03378 -24.5773 17.2954 -26.3144 -13.0682 64.069 18.1848 61.9734 29.0881 TIMING: 32800 CPU: 97.7523, 0.00296609/step Wall: 97.7523, 0.00296609/step, 4.09254 hours remaining, 197.476562 MB of memory in use. ENERGY: 32800 747.2644 2086.4057 1941.4788 127.7623 -206702.6534 17976.6576 0.0000 0.0000 34223.6915 -149599.3931 298.8840 -183823.0846 -149500.2947 297.8722 -31.8630 1.8991 556420.7421 3.2800 3.3287 PRESSURE: 33000 36.6831 -35.5272 -276.774 -35.5279 -196.903 89.6198 -276.775 89.6219 -5.33374 GPRESSURE: 33000 58.7796 65.6152 -279.666 -88.1652 -102.249 -27.611 -224.315 83.8108 -23.6436 PRESSAVG: 33000 59.8842 -49.6836 -26.8784 -49.6838 -12.2535 15.555 -26.8783 15.5551 3.04558 GPRESSAVG: 33000 61.0226 -50.9838 -27.0551 -48.1777 -13.3583 15.0799 -25.6294 17.1748 2.65614 TIMING: 33000 CPU: 98.3444, 0.00296049/step Wall: 98.3444, 0.00296049/step, 4.08466 hours remaining, 197.679688 MB of memory in use. ENERGY: 33000 727.7007 2109.0772 1948.8949 115.2242 -206070.7333 17654.5931 0.0000 0.0000 34127.8614 -149387.3818 298.0471 -183515.2432 -149293.2365 298.7540 -55.1846 -22.3711 556536.9255 16.8921 16.7735 PRESSURE: 33200 73.0786 175.076 175.946 175.076 4.04239 84.4468 175.945 84.4481 -371.415 GPRESSURE: 33200 47.4708 282.102 210.064 68.7444 8.00365 58.225 139.201 115.149 -250.281 PRESSAVG: 33200 -19.5523 -13.9395 -27.1459 -13.9395 6.11621 62.558 -27.1459 62.558 20.5832 GPRESSAVG: 33200 -20.7712 -12.1058 -27.8173 -13.5316 7.60854 61.6951 -26.4829 62.5371 20.1902 TIMING: 33200 CPU: 98.9386, 0.00297126/step Wall: 98.9386, 0.00297126/step, 4.09935 hours remaining, 197.679688 MB of memory in use. ENERGY: 33200 757.6671 2063.6693 1948.8738 107.6143 -206193.6276 17764.8839 0.0000 0.0000 34152.6760 -149398.2430 298.2638 -183550.9191 -149299.9932 299.0986 -98.0978 -64.9356 557483.6019 2.3824 2.3425 PRESSURE: 33400 201.271 21.0245 127.784 21.0245 -97.7179 102.324 127.783 102.325 -92.9886 GPRESSURE: 33400 218.083 54.3311 160.742 21.2312 -113.138 131.156 68.2305 79.4957 9.69002 PRESSAVG: 33400 -17.2599 21.3752 26.531 21.3752 46.9124 21.5533 26.531 21.5535 -5.99226 GPRESSAVG: 33400 -15.6054 22.9313 25.8203 19.6238 45.649 21.6695 26.3498 21.464 -6.34265 TIMING: 33400 CPU: 99.5361, 0.00298747/step Wall: 99.5361, 0.00298747/step, 4.12155 hours remaining, 197.679688 MB of memory in use. ENERGY: 33400 741.5788 2057.5074 1940.5939 112.5138 -206478.3148 17860.4704 0.0000 0.0000 34379.8112 -149385.8393 300.2474 -183765.6505 -149286.6881 299.6300 3.5216 38.2118 556175.4348 7.8868 7.9003 PRESSURE: 33600 -92.0793 -27.4437 -13.3131 -27.4441 117.011 -0.665886 -13.3129 -0.665855 94.9056 GPRESSURE: 33600 -89.1054 57.8432 12.9391 -101.737 214 10.0259 -41.2719 -52.2507 96.5544 PRESSAVG: 33600 6.18191 -45.135 28.2302 -45.1349 -9.65467 38.1313 28.2302 38.1312 24.7436 GPRESSAVG: 33600 5.03893 -46.341 29.6182 -46.3635 -9.63748 38.0836 25.6556 38.3577 26.0015 TIMING: 33600 CPU: 100.137, 0.0030043/step Wall: 100.137, 0.0030043/step, 4.1446 hours remaining, 197.679688 MB of memory in use. ENERGY: 33600 746.3612 2106.3735 1932.9702 108.3911 -206661.6492 17989.3889 0.0000 0.0000 34348.8221 -149429.3423 299.9768 -183778.1644 -149342.4222 299.3157 39.9456 73.8164 558299.2339 7.0903 7.1343 PRESSURE: 33800 31.2934 -52.4587 23.4709 -52.4585 -0.0916673 277.962 23.4711 277.962 40.1016 GPRESSURE: 33800 32.9197 -91.3296 86.9998 -56.7873 48.9382 308.524 -32.6167 263.064 83.3057 PRESSAVG: 33800 -4.92202 31.1172 5.27109 31.1172 -15.0213 30.3589 5.27113 30.359 29.043 GPRESSAVG: 33800 -5.46222 30.7646 4.08861 34.2603 -15.2401 28.9572 8.34134 31.3069 29.1853 TIMING: 33800 CPU: 100.733, 0.00298236/step Wall: 100.733, 0.00298236/step, 4.11416 hours remaining, 197.679688 MB of memory in use. ENERGY: 33800 723.3131 2112.1887 1923.9206 113.3755 -206511.9025 17893.7374 0.0000 0.0000 34276.3089 -149469.0583 299.3435 -183745.3672 -149369.9611 299.5751 23.7678 55.0545 557654.1701 3.0332 2.8277 PRESSURE: 34000 -138.675 0.609214 -41.7966 0.608831 -104.296 -18.7782 -41.7958 -18.7776 150.296 GPRESSURE: 34000 -94.6457 11.3339 -22.6562 -18.554 -84.8902 -54.2937 -87.7281 62.1215 172.36 PRESSAVG: 34000 -35.6948 -3.61225 -47.4862 -3.61223 -9.71692 43.7313 -47.4862 43.7313 15.8548 GPRESSAVG: 34000 -35.6178 -5.5097 -46.4301 -2.60598 -8.44258 45.0421 -48.8104 41.7584 14.758 TIMING: 34000 CPU: 101.332, 0.00299402/step Wall: 101.332, 0.00299402/step, 4.13008 hours remaining, 197.691406 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: 34000 729.1665 2113.6349 1960.2885 109.0829 -206245.4583 17759.1996 0.0000 0.0000 34216.6815 -149357.4044 298.8228 -183574.0859 -149265.4926 298.3470 -30.8918 -2.3921 558669.0534 -9.8523 -9.7675 PRESSURE: 34200 33.3066 103.143 -18.2414 103.146 157.209 -61.0984 -18.2413 -61.0982 -26.7109 GPRESSURE: 34200 98.2605 140.161 -13.8102 76.2778 154.645 6.53717 -54.2308 -20.4609 29.2517 PRESSAVG: 34200 41.5207 -24.6794 -21.887 -24.6793 -53.8075 3.30236 -21.887 3.3023 33.648 GPRESSAVG: 34200 40.5412 -22.8894 -21.8213 -25.3188 -54.4276 3.81658 -21.1475 3.7772 34.9826 TIMING: 34200 CPU: 101.928, 0.00297698/step Wall: 101.928, 0.00297698/step, 4.10641 hours remaining, 197.691406 MB of memory in use. ENERGY: 34200 751.2893 2027.2060 1935.0239 108.3315 -206416.2550 18010.7676 0.0000 0.0000 34322.9270 -149260.7097 299.7507 -183583.6367 -149162.2503 298.6757 54.6015 94.0524 558167.6557 7.1204 7.0321 PRESSURE: 34400 -469.189 39.0385 -78.4988 39.0387 -128.554 80.0427 -78.4999 80.0424 -173.547 GPRESSURE: 34400 -404.043 27.868 -54.4248 -80.2128 -87.0137 55.4268 -100.651 61.6848 -185.888 PRESSAVG: 34400 -18.8496 9.28446 3.37519 9.2843 -84.8418 35.0519 3.37519 35.0519 72.6091 GPRESSAVG: 34400 -17.863 9.76839 4.51814 7.78535 -84.9937 35.1791 1.25878 34.8946 71.5046 TIMING: 34400 CPU: 102.525, 0.00298883/step Wall: 102.525, 0.00298883/step, 4.12259 hours remaining, 197.691406 MB of memory in use. ENERGY: 34400 780.4348 2046.7283 1929.7164 123.4670 -205986.2295 17527.6440 0.0000 0.0000 34295.0796 -149283.1594 299.5075 -183578.2390 -149183.3229 299.1080 -257.0966 -225.6484 557230.0667 -10.3607 -10.4507 PRESSURE: 34600 122.169 -34.9377 10.1975 -34.9363 -103.471 -163.605 10.1976 -163.607 33.6541 GPRESSURE: 34600 168.342 -90.626 -54.5155 -66.0608 -45.884 -313.101 83.8377 -125.631 32.4939 PRESSAVG: 34600 12.6302 -15.0337 38.6573 -15.0337 8.7053 -12.9732 38.6573 -12.9733 42.4966 GPRESSAVG: 34600 12.4455 -15.0483 38.3793 -15.1761 9.70899 -14.9337 38.4079 -12.3595 41.634 TIMING: 34600 CPU: 103.116, 0.00295293/step Wall: 103.116, 0.00295293/step, 4.07291 hours remaining, 197.691406 MB of memory in use. ENERGY: 34600 793.1618 2042.5486 1938.1550 106.3098 -206070.2596 17827.2321 0.0000 0.0000 34152.2833 -149210.5690 298.2604 -183362.8523 -149116.9056 299.0752 17.4505 51.6507 557197.6033 21.2773 21.2628 PRESSURE: 34800 -307.308 -22.7564 -97.6723 -22.7552 -228.271 -4.94923 -97.6703 -4.94837 24.6017 GPRESSURE: 34800 -277.734 -64.2417 -213.076 -28.7799 -213.121 40.4641 -145.196 -36.0797 82.2098 PRESSAVG: 34800 8.41718 -22.8785 -20.2775 -22.8786 -18.2379 -0.79585 -20.2775 -0.795922 13.1036 GPRESSAVG: 34800 9.83802 -25.8019 -19.988 -20.4313 -19.8786 -0.211899 -17.2967 -1.65528 13.026 TIMING: 34800 CPU: 103.708, 0.0029617/step Wall: 103.708, 0.0029617/step, 4.08484 hours remaining, 197.691406 MB of memory in use. ENERGY: 34800 789.6072 2049.6152 1953.4154 117.8072 -205739.6649 17602.8492 0.0000 0.0000 34091.5207 -149134.8501 297.7297 -183226.3707 -149038.7458 299.5269 -170.3259 -136.2151 558771.9866 1.0943 0.9952 PRESSURE: 35000 172.871 -73.3305 -47.7793 -73.3304 -146.345 130.543 -47.7787 130.544 143.86 GPRESSURE: 35000 177.431 -64.53 66.0494 -30.7996 -66.4845 120.141 -54.0624 147.321 164.483 PRESSAVG: 35000 49.2885 -3.31834 -21.1409 -3.31836 -80.6479 20.2607 -21.1409 20.2607 31.058 GPRESSAVG: 35000 47.9021 -2.90413 -21.9157 -2.50211 -79.9947 21.629 -21.1769 20.4041 31.6186 TIMING: 35000 CPU: 104.304, 0.00297626/step Wall: 104.304, 0.00297626/step, 4.10476 hours remaining, 197.691406 MB of memory in use. ENERGY: 35000 739.4281 2072.1860 1944.8107 121.0386 -206450.7547 17958.5404 0.0000 0.0000 34237.5923 -149377.1585 299.0054 -183614.7508 -149273.2078 299.0348 56.7954 91.8098 556303.7757 -0.1004 -0.1580 PRESSURE: 35200 -69.1608 65.3749 62.481 65.3737 9.32992 60.8023 62.4816 60.8016 208.176 GPRESSURE: 35200 -65.3501 10.5761 92.6327 55.0438 62.1675 46.6163 10.9142 112.393 253.531 PRESSAVG: 35200 -24.3462 12.4427 -41.6515 12.4428 20.4286 32.4012 -41.6515 32.4013 -1.3402 GPRESSAVG: 35200 -23.9835 14.6591 -40.8688 8.50852 19.9985 32.0691 -42.9169 33.146 -1.76727 TIMING: 35200 CPU: 104.901, 0.00298758/step Wall: 104.901, 0.00298758/step, 4.1202 hours remaining, 197.691406 MB of memory in use. ENERGY: 35200 737.4545 2061.4086 1973.4468 112.9919 -206192.9539 17948.6094 0.0000 0.0000 34028.8020 -149330.2408 297.1820 -183359.0428 -149232.9727 298.6331 49.4483 83.4493 558522.0344 -1.7526 -1.9174 PRESSURE: 35400 -80.9015 253.554 -44.9442 253.554 -7.86953 20.3895 -44.9443 20.3915 -46.863 GPRESSURE: 35400 -48.3933 297.384 -80.629 178.102 -10.0142 25.6879 -90.2512 40.9728 30.2368 PRESSAVG: 35400 -14.933 29.1266 -20.7936 29.1265 15.6164 18.5418 -20.7936 18.5418 -2.79226 GPRESSAVG: 35400 -15.6399 29.1775 -20.4264 30.282 15.6497 19.3254 -19.4658 17.8897 -2.19669 TIMING: 35400 CPU: 105.501, 0.00299769/step Wall: 105.501, 0.00299769/step, 4.13398 hours remaining, 197.691406 MB of memory in use. ENERGY: 35400 738.6592 2087.0766 1966.7783 108.3410 -206417.3097 17925.7727 0.0000 0.0000 34383.7398 -149206.9422 300.2818 -183590.6819 -149105.3395 298.9164 -45.2113 -9.3903 557678.5977 -0.7030 -0.7290 PRESSURE: 35600 -62.6181 101.636 50.0744 101.635 -255.154 47.8134 50.0742 47.8145 -87.7008 GPRESSURE: 35600 -51.0143 139.902 57.8628 18.0451 -243.724 80.7063 75.0795 47.293 -7.83852 PRESSAVG: 35600 -10.2774 74.981 -21.7632 74.981 -50.4704 -25.5323 -21.7632 -25.5325 53.7094 GPRESSAVG: 35600 -8.64281 73.5385 -23.241 77.7628 -52.5988 -26.0375 -21.3984 -25.352 53.8142 TIMING: 35600 CPU: 106.096, 0.00297818/step Wall: 106.096, 0.00297818/step, 4.10691 hours remaining, 197.691406 MB of memory in use. ENERGY: 35600 748.0817 2107.1955 1928.7567 103.0743 -205894.2152 17546.8874 0.0000 0.0000 34211.1097 -149249.1100 298.7741 -183460.2197 -149148.4681 299.6362 -135.1576 -100.8589 558153.1470 -2.3461 -2.4758 PRESSURE: 35800 58.9777 115.668 2.87585 115.667 -179.042 52.4009 2.87566 52.4018 -104.558 GPRESSURE: 35800 83.6489 141.2 11.6817 156.332 -142.887 72.9891 -90.0777 95.098 -65.7615 PRESSAVG: 35800 -57.2167 28.9931 14.8104 28.9932 46.563 -10.6105 14.8105 -10.6105 -2.40188 GPRESSAVG: 35800 -57.3625 29.2681 14.1781 28.0461 47.2809 -10.8117 12.611 -11.7585 -3.08519 TIMING: 35800 CPU: 106.69, 0.00296739/step Wall: 106.69, 0.00296739/step, 4.09187 hours remaining, 197.691406 MB of memory in use. ENERGY: 35800 758.8888 2071.0983 1946.8273 112.2992 -206003.0802 17736.9191 0.0000 0.0000 34232.9505 -149144.0970 298.9649 -183377.0475 -149046.2998 299.5625 -74.8743 -41.6666 557953.3341 -4.3519 -4.3889 PRESSURE: 36000 -49.2306 100.84 106.427 100.84 -132.196 -108.647 106.426 -108.648 -313.021 GPRESSURE: 36000 -54.0256 95.6632 45.9297 148.887 -82.822 -84.0605 141.23 -105.369 -254.067 PRESSAVG: 36000 5.41131 41.5895 64.4734 41.5895 31.9416 -35.3634 64.4735 -35.3633 -22.9047 GPRESSAVG: 36000 4.7617 38.707 66.0614 43.856 32.5309 -35.1044 64.5027 -34.5595 -22.9013 TIMING: 36000 CPU: 107.288, 0.00298886/step Wall: 107.288, 0.00298886/step, 4.1213 hours remaining, 197.691406 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: 36000 727.3210 2100.1980 1937.6161 108.9194 -205631.2367 17411.5124 0.0000 0.0000 34244.2815 -149101.3883 299.0638 -183345.6698 -148993.1480 299.3173 -164.8159 -130.3048 558607.6601 4.8161 4.7971 PRESSURE: 36200 1.25379 74.7223 -62.3812 74.7218 247.315 -158.898 -62.3811 -158.897 33.3759 GPRESSURE: 36200 59.8768 168.635 -41.7421 -2.49444 271.934 -148.389 -82.4926 -169.357 27.5537 PRESSAVG: 36200 -0.630712 22.0853 9.36912 22.0852 4.58572 -11.7826 9.36906 -11.7826 7.23494 GPRESSAVG: 36200 -2.13923 23.7696 12.1318 19.2395 5.13188 -12.0451 7.62956 -11.7769 8.10021 TIMING: 36200 CPU: 107.886, 0.00299187/step Wall: 107.886, 0.00299187/step, 4.12529 hours remaining, 197.691406 MB of memory in use. ENERGY: 36200 727.9953 2094.1575 1958.3227 120.3400 -206230.0366 17768.9822 0.0000 0.0000 34425.8243 -149134.4146 300.6493 -183560.2389 -149040.7303 299.1236 93.9817 119.7880 556851.5549 3.7300 3.6976 LDB: ============= START OF LOAD BALANCING ============== 111.399 LDB: ============== END OF LOAD BALANCING =============== 111.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 111.401 LDB: ============= START OF LOAD BALANCING ============== 111.698 LDB: Largest compute 4773 load 0.031654 is 26.9% of average load 0.117662 LDB: Average compute 0.001732 is 1.5% of average load 0.117662 LDB: TIME 111.7 LOAD: AVG 0.117662 MAX 0.206593 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 199.547 MB LDB: TIME 111.701 LOAD: AVG 0.117662 MAX 0.206593 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.617 MB LDB: TIME 111.701 LOAD: AVG 0.117662 MAX 0.206593 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.617 MB LDB: ============== END OF LOAD BALANCING =============== 111.702 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 111.706 PRESSURE: 36400 138.844 -82.2494 7.91515 -82.2491 56.8333 17.8933 7.91648 17.8919 -105.681 GPRESSURE: 36400 165.851 -16.9639 0.479223 -119.709 81.6918 67.2837 53.1564 -16.47 -55.001 PRESSAVG: 36400 -11.0623 -3.64836 -26.9984 -3.64839 -11.1113 15.9058 -26.9985 15.9058 42.1912 GPRESSAVG: 36400 -9.30822 -2.81201 -28.674 -4.48212 -11.9919 13.5184 -25.3071 17.3456 42.0796 TIMING: 36400 CPU: 108.49, 0.00301902/step Wall: 108.49, 0.00301902/step, 4.16255 hours remaining, 197.968750 MB of memory in use. ENERGY: 36400 773.9104 2139.8283 1993.0818 115.4631 -206006.8500 17732.0276 0.0000 0.0000 34272.1956 -148980.3431 299.3076 -183252.5387 -148888.1655 299.7910 29.9987 64.1804 558123.5994 6.6725 6.9265 PRESSURE: 36600 -54.5169 -11.4978 18.8412 -11.4985 -6.20827 40.1571 18.8407 40.1568 -157.881 GPRESSURE: 36600 -6.1925 -78.0171 -13.5203 -0.943459 3.54743 101.522 2.4408 -84.7578 -128.803 PRESSAVG: 36600 17.7998 44.6636 2.99825 44.6637 49.2057 -16.1075 2.99832 -16.1076 -46.9588 GPRESSAVG: 36600 17.0306 44.5527 2.10055 44.8336 49.9327 -15.3604 4.80238 -17.568 -47.256 TIMING: 36600 CPU: 109.09, 0.00300099/step Wall: 109.09, 0.00300099/step, 4.13753 hours remaining, 198.039062 MB of memory in use. ENERGY: 36600 744.6164 2120.9628 1956.2646 106.1104 -205817.4404 17508.1891 0.0000 0.0000 34222.5204 -149158.7768 298.8738 -183381.2971 -149062.6265 299.1440 -72.8686 -43.8162 556437.4035 6.6822 6.5691 PRESSURE: 36800 426.804 224.457 -131.288 224.458 159.21 -16.886 -131.288 -16.8858 -17.8641 GPRESSURE: 36800 429.335 130.923 -74.7961 236.304 206.621 6.46721 -154.336 -53.9536 25.4196 PRESSAVG: 36800 66.3569 -24.0238 5.93703 -24.0239 -36.7979 -35.5364 5.93702 -35.5364 -35.1281 GPRESSAVG: 36800 65.6506 -22.7135 6.81929 -24.7706 -36.4466 -36.2352 3.23405 -34.9172 -35.33 TIMING: 36800 CPU: 109.691, 0.00300383/step Wall: 109.691, 0.00300383/step, 4.14128 hours remaining, 198.039062 MB of memory in use. ENERGY: 36800 756.0198 2098.7834 1958.9823 114.7454 -206206.6258 18041.2467 0.0000 0.0000 34160.2445 -149076.6035 298.3299 -183236.8480 -148984.1267 299.3687 189.3833 220.4586 558244.3672 -1.8564 -2.0420 PRESSURE: 37000 -173.476 -197.543 106.729 -197.543 -303.508 135.6 106.729 135.6 -163.528 GPRESSURE: 37000 -144.38 -160.478 41.0511 -252.151 -256.905 176.814 129.614 146.322 -142.394 PRESSAVG: 37000 62.1328 14.4655 -6.67104 14.4654 -55.8059 -14.738 -6.67099 -14.738 7.74018 GPRESSAVG: 37000 61.536 11.585 -6.95499 14.4148 -56.0494 -11.715 -6.24565 -17.1887 8.71812 TIMING: 37000 CPU: 110.287, 0.00298173/step Wall: 110.287, 0.00298173/step, 4.11065 hours remaining, 198.039062 MB of memory in use. ENERGY: 37000 767.2453 2109.4230 1945.3408 102.4881 -205765.9057 17505.4185 0.0000 0.0000 34327.6132 -149008.3767 299.7916 -183335.9899 -148916.0457 299.7541 -213.5041 -181.2264 558018.3231 4.6890 4.7349 PRESSURE: 37200 96.6401 13.9218 -122.693 13.9211 171.227 -196.726 -122.694 -196.725 154.814 GPRESSURE: 37200 123.302 12.2045 -158.934 -64.7185 218.768 -213.982 -38.2454 -162.641 173.656 PRESSAVG: 37200 76.3582 6.94663 56.6701 6.94661 -31.902 9.2408 56.6701 9.24073 -44.4443 GPRESSAVG: 37200 77.7797 7.82482 55.6569 6.1133 -32.0243 6.85646 57.4408 10.6215 -45.1588 TIMING: 37200 CPU: 110.885, 0.00299213/step Wall: 110.885, 0.00299213/step, 4.12482 hours remaining, 198.242188 MB of memory in use. ENERGY: 37200 738.8988 2130.6318 1944.5911 112.2016 -206158.9338 17770.4105 0.0000 0.0000 34283.0555 -149179.1445 299.4025 -183462.2000 -149084.8829 300.0712 140.8937 171.9086 556987.5949 0.0040 0.1988 PRESSURE: 37400 15.3182 26.4639 5.86358 26.4637 -119.844 0.349173 5.86467 0.348222 -137.504 GPRESSURE: 37400 94.5673 -20.9857 -3.19658 85.3838 -148.491 40.9167 -21.7045 -21.7329 -75.7122 PRESSAVG: 37400 -14.6404 -91.747 34.6537 -91.7471 14.3939 -3.11679 34.6537 -3.11677 -34.1965 GPRESSAVG: 37400 -15.3965 -91.4486 33.8889 -90.1246 14.6438 0.453469 35.1081 -4.20716 -33.8201 TIMING: 37400 CPU: 111.485, 0.00299902/step Wall: 111.485, 0.00299902/step, 4.13414 hours remaining, 198.242188 MB of memory in use. ENERGY: 37400 707.2025 2062.7364 1961.9731 125.5765 -205872.9352 17542.7376 0.0000 0.0000 34285.7567 -149186.9525 299.4260 -183472.7091 -149092.6103 298.7945 -80.6766 -43.2121 557346.4629 -11.4810 -11.5242 PRESSURE: 37600 136.369 -145.521 -30.2367 -145.521 -71.0106 -131.565 -30.2364 -131.564 -45.7199 GPRESSURE: 37600 152.167 -121.934 -31.4356 1.24165 -53.4693 -189.422 -23.8947 -169.177 16.7673 PRESSAVG: 37600 56.3692 -3.31566 -47.3052 -3.31561 0.771721 -3.18561 -47.3052 -3.18556 -40.1049 GPRESSAVG: 37600 56.3004 -3.1781 -47.7641 -0.410537 -1.25115 -5.03327 -47.7416 -1.38767 -38.6353 TIMING: 37600 CPU: 112.09, 0.0030242/step Wall: 112.09, 0.0030242/step, 4.16869 hours remaining, 198.242188 MB of memory in use. ENERGY: 37600 722.0819 2044.7799 1966.4715 126.2482 -206487.7444 17797.9888 0.0000 0.0000 34612.3023 -149217.8717 302.2778 -183830.1740 -149116.6608 299.7239 6.5462 38.4882 556823.0698 5.6787 5.4713 PRESSURE: 37800 -223.923 49.5363 67.0436 49.5357 -66.1483 -42.6857 67.0428 -42.685 -67.5523 GPRESSURE: 37800 -176.993 -7.17487 35.0851 57.8309 -31.5547 -104.739 64.5185 19.4925 -43.9312 PRESSAVG: 37800 67.2104 27.7655 3.05838 27.7656 -40.5009 -21.4907 3.05832 -21.4907 -28.6282 GPRESSAVG: 37800 67.4976 29.2564 5.16955 24.7285 -38.3663 -21.2237 1.70804 -22.8076 -30.7061 TIMING: 37800 CPU: 112.692, 0.00300791/step Wall: 112.692, 0.00300791/step, 4.14607 hours remaining, 198.242188 MB of memory in use. ENERGY: 37800 739.9331 2073.4869 1948.0049 102.2633 -206336.5720 17748.6666 0.0000 0.0000 34161.4121 -149562.8051 298.3401 -183724.2172 -149467.8960 299.1881 -119.2080 -84.1596 557670.5856 -0.6396 -0.5249 PRESSURE: 38000 -60.6124 -20.3256 -8.34131 -20.3256 39.8859 9.67216 -8.34054 9.67124 -58.2095 GPRESSURE: 38000 -20.131 -24.1207 -82.7597 18.3646 34.3266 47.4565 4.47621 49.6904 6.15267 PRESSAVG: 38000 -14.3851 12.4047 -30.8714 12.4047 -29.2511 -8.93821 -30.8714 -8.9382 46.7066 GPRESSAVG: 38000 -14.1848 11.7878 -32.3961 12.4429 -29.5624 -10.6128 -29.0316 -7.43381 47.0795 TIMING: 38000 CPU: 113.286, 0.00297107/step Wall: 113.286, 0.00297107/step, 4.09513 hours remaining, 198.445312 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: 38000 752.7319 2074.7937 1916.1652 119.1342 -206526.2611 17977.5082 0.0000 0.0000 34144.2255 -149541.7024 298.1900 -183685.9279 -149437.8318 297.9765 -26.3120 6.7827 558581.0109 1.0235 1.1107 PRESSURE: 38200 52.7822 -83.9556 -120.896 -83.9551 -331.483 74.7443 -120.896 74.7434 84.1543 GPRESSURE: 38200 72.3191 -102.001 -114.904 -118.826 -267.13 133.366 -56.2989 78.7599 95.3756 PRESSAVG: 38200 65.3936 -23.1564 32.2203 -23.1564 1.30869 31.1297 32.2203 31.1297 -44.6496 GPRESSAVG: 38200 64.3206 -21.9613 33.8583 -24.2368 0.547667 33.2855 30.8944 29.5915 -43.3882 TIMING: 38200 CPU: 113.872, 0.0029303/step Wall: 113.872, 0.0029303/step, 4.03877 hours remaining, 198.445312 MB of memory in use. ENERGY: 38200 745.3117 2102.2465 1929.7621 121.7166 -206403.8288 17872.3619 0.0000 0.0000 34045.9312 -149586.4988 297.3316 -183632.4300 -149497.3115 298.3814 -64.8490 -33.1452 558983.7381 7.3509 7.1600 PRESSURE: 38400 126.491 -50.5756 -18.8357 -50.5757 194.401 -151.572 -18.8354 -151.573 -12.698 GPRESSURE: 38400 153.356 -41.7534 5.37751 11.3537 221.208 -163.863 11.8866 -120.181 32.11 PRESSAVG: 38400 16.3708 -4.099 73.8832 -4.09902 -10.533 9.98592 73.8832 9.9859 -5.36862 GPRESSAVG: 38400 16.8714 -4.87343 72.7332 -1.93129 -10.2232 9.11303 76.943 10.4603 -6.20736 TIMING: 38400 CPU: 114.464, 0.0029622/step Wall: 114.464, 0.0029622/step, 4.08258 hours remaining, 198.445312 MB of memory in use. ENERGY: 38400 765.3639 2100.4216 1926.0308 106.8926 -206804.7564 18141.4927 0.0000 0.0000 34141.8390 -149622.7158 298.1692 -183764.5548 -149523.7617 298.4431 102.7313 135.5580 557100.5212 0.1564 0.1470 PRESSURE: 38600 73.527 -40.3574 27.2233 -40.3596 -1.78697 21.4605 27.2243 21.4592 -191.554 GPRESSURE: 38600 80.7196 -78.6027 -50.7126 -19.2356 47.4604 -32.8185 39.2574 54.1786 -151.296 PRESSAVG: 38600 -27.7912 -10.6601 34.4627 -10.6601 -2.9204 -14.953 34.4626 -14.953 73.4184 GPRESSAVG: 38600 -29.2063 -10.9766 34.1805 -10.2417 -1.83839 -15.6031 33.833 -15.9172 73.5776 TIMING: 38600 CPU: 115.057, 0.00296318/step Wall: 115.057, 0.00296318/step, 4.08376 hours remaining, 198.445312 MB of memory in use. ENERGY: 38600 747.9057 2063.7414 1943.5535 111.8980 -206512.3004 17908.6879 0.0000 0.0000 34076.7140 -149659.7998 297.6004 -183736.5138 -149569.0859 298.2303 -39.9381 -7.7052 557052.4487 14.2356 14.1776 PRESSURE: 38800 -229.949 -128.279 11.2344 -128.281 130.877 11.5352 11.2349 11.535 -26.1807 GPRESSURE: 38800 -120.81 -20.0748 -15.9575 -134.9 190.702 -19.8119 5.06016 75.5579 -109.922 PRESSAVG: 38800 -18.3307 -5.63746 24.1091 -5.63752 -37.8629 1.27721 24.1091 1.27716 13.4069 GPRESSAVG: 38800 -17.738 -4.51082 24.5035 -5.6392 -38.1822 1.27765 22.1375 1.8206 12.5517 TIMING: 38800 CPU: 115.654, 0.00298457/step Wall: 115.654, 0.00298457/step, 4.11307 hours remaining, 198.445312 MB of memory in use. ENERGY: 38800 768.4449 2067.1980 1931.5459 115.0918 -206572.4328 17924.5365 0.0000 0.0000 34078.8241 -149686.7917 297.6188 -183765.6158 -149582.6922 297.8882 -41.7512 -13.3437 558232.8497 -14.2623 -14.4562 PRESSURE: 39000 -157.916 60.578 -139.071 60.5793 138.414 95.2217 -139.072 95.2214 -195.802 GPRESSURE: 39000 -90.5589 15.239 -77.5926 37.4573 138.148 124.315 -188.208 63.8948 -167.454 PRESSAVG: 39000 33.5444 29.0788 -4.52769 29.0789 28.7112 16.2763 -4.52769 16.2764 -38.2042 GPRESSAVG: 39000 32.598 26.4096 -3.98735 29.065 27.8335 17.6576 -3.39511 17.9793 -37.4821 TIMING: 39000 CPU: 116.251, 0.00298361/step Wall: 116.251, 0.00298361/step, 4.11158 hours remaining, 198.445312 MB of memory in use. ENERGY: 39000 736.3010 2081.6116 1911.7647 93.2681 -206377.1253 17808.1775 0.0000 0.0000 34252.5251 -149493.4773 299.1358 -183746.0025 -149392.6174 298.0573 -71.7681 -39.9551 557360.5702 8.0172 7.6498 PRESSURE: 39200 -60.5826 152.791 60.9574 152.791 -44.8829 90.7877 60.9578 90.7872 136.005 GPRESSURE: 39200 -28.7726 106.918 41.5379 164.231 26.6427 182.185 82.1167 33.1854 125.005 PRESSAVG: 39200 53.9885 -16.4161 -36.8336 -16.416 -42.8613 9.65754 -36.8336 9.65753 18.9513 GPRESSAVG: 39200 53.8011 -14.3065 -38.493 -16.4602 -42.1634 9.99236 -35.8732 7.13379 18.8691 TIMING: 39200 CPU: 116.843, 0.00296105/step Wall: 116.843, 0.00296105/step, 4.08033 hours remaining, 198.445312 MB of memory in use. ENERGY: 39200 778.9151 2121.4023 1925.9328 104.0525 -206339.5040 17860.9047 0.0000 0.0000 34182.5814 -149365.7152 298.5250 -183548.2966 -149265.4658 298.9080 10.1797 40.9584 556954.8556 10.0262 10.1690 PRESSURE: 39400 75.8691 63.8379 -33.1188 63.8385 125.544 165.276 -33.1177 165.274 -164.708 GPRESSURE: 39400 110.053 41.8322 32.2916 58.4274 113.425 20.3638 -111.562 218.931 -87.5666 PRESSAVG: 39400 96.5483 38.1099 21.2086 38.1099 -53.6988 38.5838 21.2087 38.5838 -74.9233 GPRESSAVG: 39400 96.9585 39.2091 22.0967 38.2205 -53.9159 37.0699 19.9904 40.9081 -74.8455 TIMING: 39400 CPU: 117.434, 0.00295743/step Wall: 117.434, 0.00295743/step, 4.07518 hours remaining, 198.445312 MB of memory in use. ENERGY: 39400 742.2216 2059.5695 1924.3856 119.2895 -206223.6500 17791.0581 0.0000 0.0000 34307.3296 -149279.7962 299.6144 -183587.1258 -149185.0786 299.5919 12.2348 45.3035 558583.1325 -10.6912 -10.6010 PRESSURE: 39600 -43.7584 -14.8826 -55.6886 -14.8836 -134.595 -133.728 -55.6888 -133.729 -120.09 GPRESSURE: 39600 -30.4869 14.5957 -120.38 -34.4584 -92.7361 -64.1802 26.1723 -124.821 -86.139 PRESSAVG: 39600 17.9858 3.07966 1.80629 3.07957 50.3779 3.57746 1.80635 3.57736 -69.4905 GPRESSAVG: 39600 18.5526 1.479 1.89801 3.05707 50.3271 1.86961 2.76907 3.2073 -69.986 TIMING: 39600 CPU: 118.033, 0.00299215/step Wall: 118.033, 0.00299215/step, 4.12286 hours remaining, 198.445312 MB of memory in use. ENERGY: 39600 775.3406 2123.6401 1952.4777 113.6217 -205955.3371 17643.7410 0.0000 0.0000 34168.7887 -149177.7274 298.4045 -183346.5161 -149082.4394 298.8111 -99.4812 -69.7874 558265.5162 -0.3756 -0.3688 PRESSURE: 39800 213.628 19.3637 -30.5109 19.3632 115.438 55.1182 -30.5102 55.118 100.223 GPRESSURE: 39800 267.092 5.14048 41.2871 42.7059 120.147 19.2915 -49.6877 74.5941 119.741 PRESSAVG: 39800 27.0844 54.1058 8.79147 54.1059 40.1053 -4.35011 8.79159 -4.35007 -39.9845 GPRESSAVG: 39800 27.1588 53.5647 8.7958 55.6145 40.279 -4.64364 8.38801 -5.7254 -40.527 TIMING: 39800 CPU: 118.63, 0.00298723/step Wall: 118.63, 0.00298723/step, 4.1159 hours remaining, 198.445312 MB of memory in use. ENERGY: 39800 728.0814 2078.8455 1919.6521 108.4648 -206304.3376 17999.4132 0.0000 0.0000 34291.6989 -149178.1817 299.4779 -183469.8806 -149082.5627 298.5374 143.0965 168.9932 557731.3859 9.0684 8.9703 PRESSURE: 40000 120.938 41.1734 22.2336 41.1745 271.464 173.457 22.2323 173.457 61.3682 GPRESSURE: 40000 130.846 -29.7028 136.235 26.1021 292.1 149.076 -11.2477 155.643 121.362 PRESSAVG: 40000 -74.3086 -10.4274 15.3569 -10.4274 -39.62 -8.78155 15.3569 -8.78164 38.2662 GPRESSAVG: 40000 -75.2308 -8.04922 17.0293 -13.0459 -40.1539 -8.06635 14.7683 -8.67751 39.35 TIMING: 40000 CPU: 119.225, 0.00297274/step Wall: 119.225, 0.00297274/step, 4.09577 hours remaining, 198.445312 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: 40000 747.7132 2091.4180 1955.5359 108.0631 -206453.8470 18139.3336 0.0000 0.0000 34228.8846 -149182.8987 298.9294 -183411.7833 -149088.5218 298.3991 151.2567 181.4360 558522.1815 -25.2208 -25.3449 PRESSURE: 40200 18.2985 -91.2031 180.745 -91.2028 319.375 114.977 180.747 114.978 59.8841 GPRESSURE: 40200 60.1963 -117.94 122.498 -144.35 274.726 89.0337 299.905 175.182 149.868 PRESSAVG: 40200 19.8307 33.1741 26.2466 33.1741 32.8806 5.67051 26.2466 5.67053 -2.99827 GPRESSAVG: 40200 20.2856 33.2901 25.8479 33.4069 33.472 7.38956 26.0739 6.09795 -3.36929 TIMING: 40200 CPU: 119.82, 0.00297641/step Wall: 119.82, 0.00297641/step, 4.10066 hours remaining, 198.445312 MB of memory in use. ENERGY: 40200 708.6760 2054.1483 1933.2171 118.7040 -206567.0171 18021.6687 0.0000 0.0000 34493.9003 -149236.7027 301.2438 -183730.6031 -149140.1211 299.1762 132.5192 161.5970 557631.9740 16.5710 16.7961 LDB: ============= START OF LOAD BALANCING ============== 123.333 LDB: ============== END OF LOAD BALANCING =============== 123.333 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 123.335 LDB: ============= START OF LOAD BALANCING ============== 123.633 LDB: Largest compute 4773 load 0.031067 is 26.4% of average load 0.117761 LDB: Average compute 0.001726 is 1.5% of average load 0.117761 LDB: TIME 123.635 LOAD: AVG 0.117761 MAX 0.207981 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 196.695 MB LDB: TIME 123.636 LOAD: AVG 0.117761 MAX 0.207981 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 196.695 MB LDB: TIME 123.636 LOAD: AVG 0.117761 MAX 0.207981 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 196.695 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 123.637 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 123.641 PRESSURE: 40400 111.246 -78.6995 0.950501 -78.6982 60.1838 -1.1697 0.949275 -1.17048 15.3082 GPRESSURE: 40400 132.14 -132.029 -34.0832 -95.2433 66.9207 -48.7344 -55.6525 -23.518 79.9051 PRESSAVG: 40400 39.4259 24.9749 36.9012 24.9749 30.1839 58.3365 36.9012 58.3365 -41.6169 GPRESSAVG: 40400 40.0814 23.4594 36.0781 24.6145 30.2626 54.6506 36.7738 57.3106 -42.2186 TIMING: 40400 CPU: 120.425, 0.00302399/step Wall: 120.425, 0.00302399/step, 4.16605 hours remaining, 197.636719 MB of memory in use. ENERGY: 40400 709.9392 2064.8267 1922.5517 104.7106 -206199.1779 17928.2578 0.0000 0.0000 34144.9515 -149323.9404 298.1964 -183468.8919 -149226.2989 299.5496 62.2459 92.9887 559018.6830 9.3309 9.3751 PRESSURE: 40600 118.853 35.4793 131.194 35.4798 -35.6562 68.6154 131.194 68.6152 368.398 GPRESSURE: 40600 155.377 -24.1689 70.1621 65.8058 48.8507 157.636 166.762 17.5532 354.425 PRESSAVG: 40600 48.4719 -0.276883 6.77271 -0.276876 -3.60711 -1.06167 6.77276 -1.06166 -58.5366 GPRESSAVG: 40600 47.879 0.591307 7.24184 0.677246 -3.38851 1.62172 5.34177 -2.77572 -57.916 TIMING: 40600 CPU: 121.021, 0.00297923/step Wall: 121.021, 0.00297923/step, 4.10423 hours remaining, 197.636719 MB of memory in use. ENERGY: 40600 779.8657 2085.0087 1960.0297 118.1305 -206797.7835 18285.7068 0.0000 0.0000 34297.2538 -149271.7883 299.5264 -183569.0421 -149178.7593 299.3417 150.5317 186.2178 556373.0539 -4.5573 -4.4752 PRESSURE: 40800 -77.7568 -67.7719 18.4276 -67.771 -75.822 -6.96538 18.4273 -6.96437 -105.666 GPRESSURE: 40800 1.18124 36.6252 74.417 -106.949 -43.7548 21.2036 53.1857 -8.64438 -114.266 PRESSAVG: 40800 41.311 -65.7817 -20.5736 -65.7817 -11.2971 52.979 -20.5736 52.979 -25.0971 GPRESSAVG: 40800 42.2839 -64.8979 -20.7434 -66.8691 -10.5202 51.5159 -20.8752 55.3609 -26.1741 TIMING: 40800 CPU: 121.616, 0.00297753/step Wall: 121.616, 0.00297753/step, 4.10172 hours remaining, 197.707031 MB of memory in use. ENERGY: 40800 803.1267 1982.6456 1959.6386 103.9481 -206172.9543 17870.6253 0.0000 0.0000 34275.6285 -149177.3415 299.3376 -183452.9700 -149090.2319 298.9633 -86.4148 -52.2798 557496.3883 1.6389 1.8632 PRESSURE: 41000 148.067 0.653158 123.383 0.654851 -85.8685 16.7432 123.384 16.7445 -136.549 GPRESSURE: 41000 176.497 -48.6371 168.387 -0.542738 -85.1237 -32.8718 65.6569 -24.7098 -67.9059 PRESSAVG: 41000 20.7608 35.4022 57.4173 35.4022 -43.5455 -35.3861 57.4173 -35.3861 18.6127 GPRESSAVG: 41000 21.142 36.228 57.1657 36.9887 -44.5027 -33.894 57.5633 -36.4947 18.7804 TIMING: 41000 CPU: 122.211, 0.00297226/step Wall: 122.211, 0.00297226/step, 4.09429 hours remaining, 197.910156 MB of memory in use. ENERGY: 41000 751.1854 2079.3856 1940.0847 103.2189 -205822.3940 17720.9444 0.0000 0.0000 34265.8369 -148961.7380 299.2521 -183227.5750 -148868.7078 299.7299 -24.7835 7.8226 558175.2733 -1.3907 -1.5268 PRESSURE: 41200 -155.661 124.993 80.5772 124.993 -165.483 182.828 80.5766 182.828 15.2878 GPRESSURE: 41200 -118.293 97.0345 68.7024 191.644 -157.517 205.332 57.9729 95.6324 58.1952 PRESSAVG: 41200 23.9897 -21.707 -3.18903 -21.707 -12.4762 20.162 -3.18897 20.162 -22.6889 GPRESSAVG: 41200 23.1528 -22.6947 -5.61799 -22.5383 -12.31 18.8627 0.577594 19.4355 -22.2839 TIMING: 41200 CPU: 122.8, 0.00294777/step Wall: 122.8, 0.00294777/step, 4.06039 hours remaining, 197.910156 MB of memory in use. ENERGY: 41200 743.2397 2091.9173 1941.6279 109.7249 -205946.9266 17685.6445 0.0000 0.0000 34528.6425 -148846.1299 301.5472 -183374.7724 -148750.9921 300.3134 -101.9519 -72.5382 557650.6398 -3.7251 -3.8137 PRESSURE: 41400 -113.712 94.4387 16.4701 94.4387 -208.071 85.433 16.4712 85.4334 -24.599 GPRESSURE: 41400 -65.3886 44.4513 -58.0243 51.6518 -150.097 31.5099 64.7552 72.5725 -34.229 PRESSAVG: 41400 20.2438 55.7798 7.08363 55.7798 -59.4133 39.8449 7.08362 39.8449 15.6174 GPRESSAVG: 41400 20.4063 54.8591 9.35468 58.1959 -59.3667 39.6956 6.25029 39.8697 15.4723 TIMING: 41400 CPU: 123.391, 0.00295582/step Wall: 123.391, 0.00295582/step, 4.07131 hours remaining, 197.910156 MB of memory in use. ENERGY: 41400 751.5752 2094.4545 1920.9112 117.4237 -205727.3577 17597.0892 0.0000 0.0000 34452.0850 -148793.8189 300.8786 -183245.9039 -148697.4800 300.5257 -115.4608 -83.2381 557637.3827 -7.8507 -7.8294 PRESSURE: 41600 -85.2321 26.5751 79.8543 26.5747 0.533698 -48.8218 79.8541 -48.8216 -42.7763 GPRESSURE: 41600 -94.8176 56.9112 134.49 36.7489 46.2106 -106.218 92.242 -83.2353 26.2221 PRESSAVG: 41600 21.5984 -48.1938 -10.9326 -48.1938 -74.3795 20.7533 -10.9326 20.7533 26.9089 GPRESSAVG: 41600 21.7185 -47.2661 -9.58781 -49.5143 -74.2414 20.9613 -10.7142 21.2439 26.9492 TIMING: 41600 CPU: 123.985, 0.00296771/step Wall: 123.985, 0.00296771/step, 4.08752 hours remaining, 197.910156 MB of memory in use. ENERGY: 41600 744.8922 2100.1336 1944.0811 97.4842 -205843.2940 17774.1779 0.0000 0.0000 34402.3040 -148780.2212 300.4439 -183182.5252 -148677.9620 300.7173 -42.4916 -7.4616 558129.1351 -8.6241 -8.5246 PRESSURE: 41800 -335.913 247.519 -35.2229 247.521 -19.1043 116.157 -35.2217 116.158 -4.47391 GPRESSURE: 41800 -261.446 241.217 -42.2647 258.621 -48.9489 116.879 -49.0201 107.401 47.1788 PRESSAVG: 41800 -42.1408 33.6446 2.23501 33.6445 27.907 -12.8217 2.23505 -12.8216 68.1224 GPRESSAVG: 41800 -42.9302 33.3025 -0.896397 33.8817 28.1796 -11.6144 1.01912 -15.2284 68.6705 TIMING: 41800 CPU: 124.576, 0.00295669/step Wall: 124.576, 0.00295669/step, 4.07218 hours remaining, 197.910156 MB of memory in use. ENERGY: 41800 732.4759 2123.3736 1947.7237 108.8953 -205662.7836 17596.8823 0.0000 0.0000 34243.4321 -148910.0007 299.0564 -183153.4328 -148817.7528 300.9464 -119.8303 -87.7388 558845.2009 17.9629 17.9733 PRESSURE: 42000 46.0915 -12.0811 41.0332 -12.0807 109.454 25.5248 41.0336 25.5235 -71.9206 GPRESSURE: 42000 66.3269 -57.4622 109.826 -33.1744 153.842 -46.0016 -74.17 93.2447 -47.2415 PRESSAVG: 42000 -47.1582 28.443 44.637 28.4429 27.3374 25.4749 44.6371 25.475 34.3978 GPRESSAVG: 42000 -46.5128 28.9691 48.2137 27.4777 26.3157 24.6115 43.0643 27.8838 34.2319 TIMING: 42000 CPU: 125.168, 0.0029587/step Wall: 125.168, 0.0029587/step, 4.07478 hours remaining, 197.910156 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: 42000 758.9251 2062.0727 1938.3053 96.5047 -206125.7819 17829.7496 0.0000 0.0000 34406.7050 -149033.5195 300.4823 -183440.2245 -148939.1461 300.1264 27.8750 57.6423 556885.4831 4.8590 4.6783 PRESSURE: 42200 271.473 -131.861 5.52973 -131.861 205.347 53.425 5.52956 53.424 248.73 GPRESSURE: 42200 300.731 -178.354 63.1279 -116.927 251.262 28.7521 7.41066 88.7221 274.614 PRESSAVG: 42200 33.3227 3.3783 44.2927 3.37828 -5.99989 9.12529 44.2928 9.12534 -19.1283 GPRESSAVG: 42200 33.883 4.14052 42.0877 3.75882 -5.16101 9.36986 47.6544 8.91301 -20.3439 TIMING: 42200 CPU: 125.763, 0.00297496/step Wall: 125.763, 0.00297496/step, 4.09701 hours remaining, 197.910156 MB of memory in use. ENERGY: 42200 693.2743 2053.4477 1937.7360 103.5064 -206516.2801 18126.4814 0.0000 0.0000 34480.6395 -149121.1948 301.1280 -183601.8343 -149018.5537 299.2566 241.8501 275.5355 557393.0906 2.7315 2.7927 PRESSURE: 42400 12.5359 -134.371 115.538 -134.371 138.748 139.905 115.537 139.907 257.453 GPRESSURE: 42400 52.4212 -147.933 72.6981 -156.783 144.919 109.653 89.9601 97.5016 301.08 PRESSAVG: 42400 14.5762 19.9199 -2.20144 19.9199 -15.7331 -22.9765 -2.20142 -22.9765 10.8193 GPRESSAVG: 42400 13.5698 18.9569 -1.91265 19.788 -15.7262 -23.3247 -4.4477 -22.5406 12.1003 TIMING: 42400 CPU: 126.357, 0.00297083/step Wall: 126.357, 0.00297083/step, 4.09116 hours remaining, 197.910156 MB of memory in use. ENERGY: 42400 732.7138 2097.8666 1938.3555 110.2419 -206276.9097 18025.0486 0.0000 0.0000 34120.5242 -149252.1590 297.9830 -183372.6833 -149157.0432 298.6626 136.2454 166.1401 557340.2976 3.2208 3.3147 PRESSURE: 42600 -162.591 42.76 12.7403 42.7601 -52.6981 -130.874 12.7402 -130.874 -336.141 GPRESSURE: 42600 -121.957 46.0343 59.7338 54.6539 -69.7636 -9.03778 -82.5055 -158.876 -272.936 PRESSAVG: 42600 6.92397 -2.30255 44.3667 -2.30242 -53.8328 22.208 44.3667 22.2078 41.5423 GPRESSAVG: 42600 7.33224 -1.5574 45.7079 -2.11831 -53.5965 23.9041 45.346 19.8689 41.6858 TIMING: 42600 CPU: 126.95, 0.00296396/step Wall: 126.95, 0.00296396/step, 4.08154 hours remaining, 197.910156 MB of memory in use. ENERGY: 42600 747.6547 2153.8577 1940.8565 128.8563 -206000.3487 17630.7145 0.0000 0.0000 34039.6710 -149358.7380 297.2769 -183398.4090 -149266.9891 298.3011 -183.8100 -154.8856 557617.1533 -1.7888 -1.5262 PRESSURE: 42800 164.642 122.525 154.154 122.526 128.521 143.616 154.153 143.615 38.0543 GPRESSURE: 42800 179.598 184.511 134.492 118.45 218.391 167.759 114.681 116.223 25.5087 PRESSAVG: 42800 53.2717 13.2273 35.5921 13.2273 2.57856 13.1964 35.592 13.1964 -64.4425 GPRESSAVG: 42800 53.9846 12.5963 36.0555 13.7133 1.84547 11.4761 34.9065 12.9569 -64.9327 TIMING: 42800 CPU: 127.547, 0.00298287/step Wall: 127.547, 0.00298287/step, 4.10742 hours remaining, 197.910156 MB of memory in use. ENERGY: 42800 738.0336 2042.2695 1975.7978 117.6117 -206253.2504 17971.6258 0.0000 0.0000 34093.2524 -149314.6596 297.7449 -183407.9120 -149220.7466 298.6495 110.4058 141.1658 556851.5235 -2.8641 -3.0342 PRESSURE: 43000 56.8986 60.3865 46.3297 60.3865 -322.466 58.8668 46.3295 58.8676 -365.546 GPRESSURE: 43000 55.2696 34.0274 74.3949 -20.4117 -240.343 -28.7315 22.6574 137.656 -344.542 PRESSAVG: 43000 77.8767 37.8108 57.2541 37.8108 10.5631 5.35478 57.254 5.35475 -86.4353 GPRESSAVG: 43000 76.875 36.4155 55.2692 39.5151 11.0211 6.01321 58.6966 7.55298 -86.7405 TIMING: 43000 CPU: 128.141, 0.00297241/step Wall: 128.141, 0.00297241/step, 4.09284 hours remaining, 197.910156 MB of memory in use. ENERGY: 43000 753.6515 2036.5588 1961.3556 105.6904 -206167.4347 17654.7528 0.0000 0.0000 34323.0924 -149332.3332 299.7521 -183655.4256 -149240.6692 298.6383 -210.3712 -176.5387 557562.0463 0.6682 0.3852 PRESSURE: 43200 -463.04 -34.3845 44.8402 -34.3844 -174.068 -33.8639 44.841 -33.8645 -331.844 GPRESSURE: 43200 -458.886 7.75202 109.364 -6.27448 -177.097 34.8823 66.5655 -133.874 -248.888 PRESSAVG: 43200 22.8953 -30.2934 8.44837 -30.2935 61.7804 -11.3591 8.4484 -11.3591 -84.8622 GPRESSAVG: 43200 22.4898 -28.652 8.08914 -29.28 61.7377 -10.0802 8.31161 -12.4179 -84.4446 TIMING: 43200 CPU: 128.734, 0.00296668/step Wall: 128.734, 0.00296668/step, 4.08479 hours remaining, 197.910156 MB of memory in use. ENERGY: 43200 767.8795 2063.5924 1962.2980 119.0251 -205959.7198 17384.9347 0.0000 0.0000 34359.8106 -149302.1794 300.0728 -183661.9900 -149206.4539 299.3496 -322.9840 -294.9571 557820.4933 -0.0622 -0.0724 PRESSURE: 43400 -61.1634 96.8372 -0.168764 96.8365 74.2118 -31.7835 -0.168012 -31.7831 -109.924 GPRESSURE: 43400 19.0751 3.03505 77.1896 67.015 83.5598 -6.24421 -13.4044 -19.5909 -111.354 PRESSAVG: 43400 -16.1343 19.9849 -1.34843 19.9849 56.0061 20.7663 -1.34845 20.7663 -7.29903 GPRESSAVG: 43400 -16.6357 20.276 0.662251 16.9085 56.4872 20.4775 -2.89346 19.9498 -7.50387 TIMING: 43400 CPU: 129.326, 0.00295669/step Wall: 129.326, 0.00295669/step, 4.07087 hours remaining, 197.910156 MB of memory in use. ENERGY: 43400 760.1577 2079.4504 1962.4707 103.7530 -206280.9636 17788.0870 0.0000 0.0000 34342.6038 -149244.4408 299.9225 -183587.0446 -149149.3567 299.1401 -32.2919 -2.9062 557693.8122 10.8576 10.7826 PRESSURE: 43600 -115.78 -49.5828 161.157 -49.5828 -54.0916 -100.418 161.157 -100.418 -351.466 GPRESSURE: 43600 -118.371 32.8944 120.26 -109.635 8.22733 -45.1283 200.019 -32.3248 -316.397 PRESSAVG: 43600 16.5138 25.0536 25.5075 25.0535 6.64065 -35.2076 25.5074 -35.2076 -34.6185 GPRESSAVG: 43600 16.2288 23.2736 23.3801 26.3623 7.18398 -35.0269 27.6018 -35.3236 -34.7739 TIMING: 43600 CPU: 129.92, 0.00297339/step Wall: 129.92, 0.00297339/step, 4.09369 hours remaining, 198.246094 MB of memory in use. ENERGY: 43600 731.2027 2117.8622 1964.0606 117.7033 -205977.7326 17558.6970 0.0000 0.0000 34165.5479 -149322.6590 298.3762 -183488.2069 -149228.1539 298.7972 -173.7793 -142.1804 558031.8149 -3.8214 -3.7870 PRESSURE: 43800 -83.0149 -52.7326 168.642 -52.7321 179.847 -85.458 168.642 -85.4559 -59.841 GPRESSURE: 43800 -43.7089 -159.207 248.85 -5.04602 165.243 -51.9335 93.9242 -90.9898 -3.75906 PRESSAVG: 43800 -31.2873 -25.049 67.1598 -25.049 -15.5082 7.11259 67.1598 7.11271 -2.31782 GPRESSAVG: 43800 -30.163 -23.4099 68.1147 -25.4126 -16.0827 7.41655 65.3105 8.33544 -2.79039 TIMING: 43800 CPU: 130.516, 0.0029785/step Wall: 130.516, 0.0029785/step, 4.10057 hours remaining, 198.246094 MB of memory in use. ENERGY: 43800 731.6820 2102.2147 1904.2768 120.8505 -205836.7942 17752.8430 0.0000 0.0000 34069.7660 -149155.1612 297.5397 -183224.9272 -149058.4399 298.6302 12.3303 39.2583 558362.3265 -16.3711 -16.3454 PRESSURE: 44000 85.211 -32.5061 135.129 -32.5059 -14.4604 59.8245 135.128 59.8238 -316.662 GPRESSURE: 44000 92.0084 47.1994 155.374 -85.6726 -20.9365 109.136 108.737 23.2394 -226.02 PRESSAVG: 44000 47.1421 -30.2956 83.4607 -30.2956 -11.0024 -20.9445 83.4608 -20.9445 22.254 GPRESSAVG: 44000 47.0399 -30.8255 83.3102 -32.8699 -11.211 -21.6028 84.2805 -20.1837 22.5998 TIMING: 44000 CPU: 131.112, 0.00297911/step Wall: 131.112, 0.00297911/step, 4.10124 hours remaining, 198.246094 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: 44000 734.6820 2036.9597 1929.1597 107.2994 -206125.0209 17833.2775 0.0000 0.0000 34331.4492 -149152.1934 299.8251 -183483.6426 -149052.8218 299.1829 -81.9703 -51.6495 558488.5013 19.4646 19.4762 PRESSURE: 44200 -44.3078 -106.289 -39.0026 -106.288 -5.00863 -79.6775 -39.0019 -79.6759 -144.199 GPRESSURE: 44200 -55.6688 -136.349 5.26194 -105.736 -37.1647 -16.0016 -48.4685 -91.8616 -12.1306 PRESSAVG: 44200 20.2005 -32.8415 6.22365 -32.8414 25.1776 -39.7744 6.22375 -39.7744 -70.6008 GPRESSAVG: 44200 18.6255 -34.3425 9.76694 -29.7758 25.5413 -40.1537 5.15775 -39.5308 -69.7597 TIMING: 44200 CPU: 131.707, 0.00297666/step Wall: 131.707, 0.00297666/step, 4.0977 hours remaining, 198.246094 MB of memory in use. ENERGY: 44200 744.7884 2000.0095 1966.2386 103.3025 -205681.8539 17610.9108 0.0000 0.0000 34177.6925 -149078.9116 298.4823 -183256.6041 -148987.2425 299.0354 -64.5052 -34.9881 557678.0094 -8.4076 -8.5310 LDB: ============= START OF LOAD BALANCING ============== 135.223 LDB: ============== END OF LOAD BALANCING =============== 135.223 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 135.224 LDB: ============= START OF LOAD BALANCING ============== 135.521 LDB: Largest compute 4773 load 0.029960 is 25.5% of average load 0.117700 LDB: Average compute 0.001731 is 1.5% of average load 0.117700 LDB: TIME 135.523 LOAD: AVG 0.1177 MAX 0.209528 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 196.715 MB LDB: TIME 135.524 LOAD: AVG 0.1177 MAX 0.209528 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 196.715 MB LDB: TIME 135.524 LOAD: AVG 0.1177 MAX 0.209528 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 196.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 135.526 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 135.53 PRESSURE: 44400 77.7631 53.7239 -17.983 53.7234 21.9123 23.3483 -17.9821 23.3467 72.5048 GPRESSURE: 44400 115.373 30.5965 -22.7526 -42.6493 38.7668 25.5692 9.77899 -20.7996 111.719 PRESSAVG: 44400 17.8253 6.90406 -43.7605 6.90399 48.2148 -16.2101 -43.7605 -16.2101 -33.2427 GPRESSAVG: 44400 19.488 10.3797 -47.9533 4.42502 47.5777 -14.2473 -42.4446 -19.638 -34.7396 TIMING: 44400 CPU: 132.313, 0.00302924/step Wall: 132.313, 0.00302924/step, 4.16992 hours remaining, 199.789062 MB of memory in use. ENERGY: 44400 748.8885 2086.2537 1958.4914 106.1929 -206236.1698 17811.9223 0.0000 0.0000 34273.0741 -149251.3469 299.3153 -183524.4210 -149156.0203 299.3158 57.3934 88.6197 556820.3867 10.9325 10.7753 PRESSURE: 44600 -367.04 -10.1718 -37.2028 -10.1736 -237.992 4.55717 -37.2031 4.55678 -286.131 GPRESSURE: 44600 -335.997 -47.3193 -70.868 23.5027 -209.434 -35.1935 -140.422 76.6535 -260.732 PRESSAVG: 44600 51.2602 -17.3599 -16.3455 -17.36 -81.6403 -51.624 -16.3455 -51.624 6.9975 GPRESSAVG: 44600 50.1223 -18.3312 -16.5477 -16.3238 -81.2288 -53.147 -17.7099 -48.6501 7.68226 TIMING: 44600 CPU: 132.907, 0.00296928/step Wall: 132.907, 0.00296928/step, 4.08722 hours remaining, 199.800781 MB of memory in use. ENERGY: 44600 780.7028 2119.9919 1930.9217 119.7593 -205652.6112 17401.4717 0.0000 0.0000 34161.9346 -149137.8292 298.3447 -183299.7638 -149038.8475 299.3820 -297.0542 -268.7211 558973.8254 -7.7942 -7.8081 PRESSURE: 44800 61.0904 -154.604 -177.978 -154.603 -102.47 172.35 -177.978 172.351 -144.428 GPRESSURE: 44800 91.196 -195.621 -92.5532 -126.089 -47.5631 171.232 -229.746 217.073 -124.427 PRESSAVG: 44800 24.1269 3.20268 1.23036 3.20268 -35.3348 -19.895 1.23046 -19.8949 -42.0664 GPRESSAVG: 44800 25.7398 3.1684 2.85353 2.91411 -36.2121 -20.2422 2.16658 -18.7946 -42.3933 TIMING: 44800 CPU: 133.498, 0.00295745/step Wall: 133.498, 0.00295745/step, 4.07076 hours remaining, 199.800781 MB of memory in use. ENERGY: 44800 783.7126 2134.4195 1962.6077 110.1744 -206158.8391 17667.4949 0.0000 0.0000 34366.4023 -149134.0276 300.1303 -183500.4299 -149037.4181 298.5828 -61.9359 -26.9314 557140.1888 -17.7581 -17.6218 PRESSURE: 45000 65.9272 27.4716 168.483 27.471 137.29 -67.4159 168.484 -67.418 178.213 GPRESSURE: 45000 112.271 -11.9113 108.725 44.6144 154.334 -25.0028 147.845 -29.4722 220.824 PRESSAVG: 45000 5.77355 -11.0201 -0.617136 -11.0201 -60.1253 72.2412 -0.617182 72.2413 63.3377 GPRESSAVG: 45000 5.46899 -10.7792 -1.74136 -11.8633 -60.3902 71.5954 -0.879555 71.5695 63.8221 TIMING: 45000 CPU: 134.09, 0.00295709/step Wall: 134.09, 0.00295709/step, 4.0701 hours remaining, 199.800781 MB of memory in use. ENERGY: 45000 759.6827 2055.0078 1968.5556 113.9471 -206192.9920 17952.3370 0.0000 0.0000 34188.4344 -149155.0273 298.5761 -183343.4617 -149062.0013 299.0920 127.1434 162.4766 556233.1650 2.9953 2.9670 PRESSURE: 45200 350.747 -8.33497 35.4851 -8.33378 101.095 90.2355 35.4842 90.2351 -183.913 GPRESSURE: 45200 364.067 17.1197 41.0384 -7.98268 162.395 1.78658 75.525 162.658 -153.264 PRESSAVG: 45200 -47.2292 3.05522 -8.24547 3.05526 4.88394 -13.5278 -8.24537 -13.5278 74.0031 GPRESSAVG: 45200 -46.7051 3.50514 -7.379 3.92037 5.21043 -13.753 -8.09137 -12.9312 73.4426 TIMING: 45200 CPU: 134.681, 0.0029551/step Wall: 134.681, 0.0029551/step, 4.0672 hours remaining, 199.800781 MB of memory in use. ENERGY: 45200 754.6567 2135.1020 1945.3780 102.8734 -206346.9294 18067.4869 0.0000 0.0000 34051.7291 -149289.7033 297.3822 -183341.4324 -149200.5152 298.9796 89.3096 124.3994 556489.9893 10.5526 10.6493 PRESSURE: 45400 91.4254 6.40317 117.092 6.40442 58.1545 -125.524 117.091 -125.524 170.849 GPRESSURE: 45400 193.897 -1.73963 201.432 23.4325 44.6281 -131.477 -0.50365 -81.7384 181.331 PRESSAVG: 45400 88.4204 -3.62799 24.6185 -3.62793 -79.9465 -23.9192 24.6184 -23.9191 -14.5463 GPRESSAVG: 45400 88.4803 -6.1226 26.1969 -2.30274 -80.1499 -23.3163 24.7468 -24.5346 -14.3857 TIMING: 45400 CPU: 135.27, 0.0029447/step Wall: 135.27, 0.0029447/step, 4.05273 hours remaining, 199.800781 MB of memory in use. ENERGY: 45400 765.1875 2072.5715 1960.9642 107.9425 -206560.9765 18023.4735 0.0000 0.0000 34301.4182 -149329.4189 299.5628 -183630.8371 -149235.3004 298.5215 106.8098 139.9519 556308.4865 -2.0241 -2.0184 PRESSURE: 45600 -125.397 140.313 -93.5023 140.313 87.2167 79.2514 -93.5027 79.2512 -186.061 GPRESSURE: 45600 -67.7964 151.501 -144.606 112.704 80.826 124.543 -58.286 99.2401 -132.119 PRESSAVG: 45600 16.2439 53.8192 6.12053 53.8192 -14.2951 26.3763 6.12046 26.3764 39.5019 GPRESSAVG: 45600 14.6635 55.7681 6.6525 54.3905 -13.471 27.9049 3.85042 25.3916 39.9188 TIMING: 45600 CPU: 135.865, 0.00297802/step Wall: 135.865, 0.00297802/step, 4.09841 hours remaining, 199.980469 MB of memory in use. ENERGY: 45600 756.2735 2113.4662 1935.4677 118.3194 -206367.2293 17800.3879 0.0000 0.0000 34392.7079 -149250.6068 300.3601 -183643.3146 -149150.9971 299.0802 -74.7471 -39.6966 557867.5747 13.8169 13.7037 PRESSURE: 45800 213.787 -27.8666 -89.4725 -27.8666 175.904 -141.751 -89.4736 -141.751 -14.8185 GPRESSURE: 45800 234.513 -7.44866 -77.6773 3.86759 237.874 -123.374 -121.461 -183.433 -2.26795 PRESSAVG: 45800 38.2253 54.5534 1.56917 54.5533 11.1695 -31.5029 1.56915 -31.5027 -54.5559 GPRESSAVG: 45800 38.9432 54.2352 -1.03864 54.1468 11.5932 -33.5666 5.08292 -28.8641 -55.3323 TIMING: 45800 CPU: 136.463, 0.0029889/step Wall: 136.463, 0.0029889/step, 4.11322 hours remaining, 199.980469 MB of memory in use. ENERGY: 45800 726.5223 2021.3657 1973.0439 107.6474 -206513.5011 17984.9362 0.0000 0.0000 34259.0858 -149440.8998 299.1931 -183699.9856 -149341.6869 298.7003 124.9577 156.7066 555728.5259 -1.7204 -1.5986 PRESSURE: 46000 320.632 -101.523 -122.641 -101.525 98.707 -82.495 -122.641 -82.4976 153.465 GPRESSURE: 46000 275.344 -91.955 -151.731 -143.414 152.09 -51.6227 -42.0755 -100.693 232.994 PRESSAVG: 46000 44.5737 -12.3791 28.6455 -12.3791 -13.2686 -38.1197 28.6455 -38.1197 -64.8828 GPRESSAVG: 46000 43.6687 -12.8746 30.1008 -12.0948 -12.5268 -38.2977 27.7399 -40.8794 -64.9793 TIMING: 46000 CPU: 137.06, 0.00298473/step Wall: 137.06, 0.00298473/step, 4.10732 hours remaining, 199.980469 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: 46000 725.1615 2027.9393 1956.8766 111.5573 -206990.3507 18171.7614 0.0000 0.0000 34451.7038 -149545.3509 300.8753 -183997.0546 -149440.8210 298.2988 190.9348 220.1427 555965.7998 -11.1926 -11.2791 PRESSURE: 46200 -181.576 -33.2641 16.7136 -33.2634 -36.7201 4.90154 16.7119 4.90129 402.017 GPRESSURE: 46200 -121.294 -0.926211 29.222 -46.4369 26.2288 -60.6857 40.7897 14.2903 358.604 PRESSAVG: 46200 2.46811 34.8042 40.4957 34.8043 -40.3335 -50.1892 40.4957 -50.1892 -6.43118 GPRESSAVG: 46200 5.29955 34.9428 40.1922 33.8702 -42.361 -50.6218 40.2018 -48.8431 -7.07044 TIMING: 46200 CPU: 137.655, 0.0029763/step Wall: 137.655, 0.0029763/step, 4.09555 hours remaining, 199.980469 MB of memory in use. ENERGY: 46200 735.8899 2062.6947 1989.9528 142.2221 -206373.3103 17817.6162 0.0000 0.0000 34098.1067 -149526.8278 297.7872 -183624.9346 -149431.6029 298.2377 61.2401 87.8460 555661.7392 -14.7655 -14.7106 PRESSURE: 46400 -144.834 55.2379 192.308 55.2378 -23.4597 -15.5556 192.308 -15.5559 -69.7999 GPRESSURE: 46400 -104.408 38.2183 114.695 100.256 -5.91525 39.8212 186.382 -35.2401 -18.1192 PRESSAVG: 46400 23.3215 -22.4623 0.715695 -22.4623 -0.727042 -24.9191 0.715671 -24.9191 19.5081 GPRESSAVG: 46400 20.8318 -22.2367 1.34824 -23.2699 0.345277 -24.7209 1.16949 -25.6824 21.0637 TIMING: 46400 CPU: 138.256, 0.00300471/step Wall: 138.256, 0.00300471/step, 4.13448 hours remaining, 199.992188 MB of memory in use. ENERGY: 46400 705.0742 2074.1079 1929.0275 93.6088 -206487.7631 17806.3250 0.0000 0.0000 34304.6896 -149574.9301 299.5914 -183879.6197 -149477.4537 298.4335 -79.3646 -42.8142 556735.4272 14.0342 14.0803 PRESSURE: 46600 113.222 -3.43699 20.4562 -3.4369 69.8898 32.6933 20.4561 32.6922 177.663 GPRESSURE: 46600 184.102 -120.017 24.3698 6.08935 107.44 82.8663 58.5747 -9.3644 157.106 PRESSAVG: 46600 12.0859 -32.1794 -21.0906 -32.1794 39.2558 30.8031 -21.0905 30.8031 -14.1581 GPRESSAVG: 46600 13.4032 -32.6387 -22.857 -30.6118 38.5543 32.8383 -21.9022 31.3753 -14.5874 TIMING: 46600 CPU: 138.85, 0.00296778/step Wall: 138.85, 0.00296778/step, 4.0835 hours remaining, 199.992188 MB of memory in use. ENERGY: 46600 691.5180 2074.0655 1943.4728 111.6692 -206375.4929 17864.8843 0.0000 0.0000 34271.8538 -149418.0294 299.3046 -183689.8832 -149322.6876 298.3838 120.2582 149.5492 557109.0323 12.3946 12.4567 PRESSURE: 46800 40.411 10.1603 -33.352 10.1609 -209.9 -82.8083 -33.353 -82.8082 117.329 GPRESSURE: 46800 53.2696 -75.777 -69.1242 5.051 -192.891 -125.525 29.8501 -131.824 180.939 PRESSAVG: 46800 -55.5506 6.91415 20.463 6.91416 -1.06176 -9.63681 20.4629 -9.63678 4.47569 GPRESSAVG: 46800 -57.3722 7.50103 21.0192 4.72472 -0.143309 -10.2229 19.6702 -9.49486 5.67649 TIMING: 46800 CPU: 139.44, 0.00294974/step Wall: 139.44, 0.00294974/step, 4.05852 hours remaining, 199.992188 MB of memory in use. ENERGY: 46800 730.5011 2057.5560 1968.0783 100.6235 -206430.3534 17838.1946 0.0000 0.0000 34266.1550 -149469.2450 299.2549 -183735.4000 -149372.9902 299.3227 -17.3867 13.7724 555996.0737 -17.3789 -17.2797 PRESSURE: 47000 64.1794 -159.295 122.819 -159.295 -137.201 15.5809 122.818 15.5812 115.547 GPRESSURE: 47000 66.3019 -94.9381 109.287 -153.186 -78.7356 131.934 200.284 -104.168 144.372 PRESSAVG: 47000 -24.7815 -21.485 45.6641 -21.485 -35.0064 7.22491 45.6641 7.22479 51.7685 GPRESSAVG: 47000 -23.4821 -20.4537 45.2209 -21.8338 -35.4981 7.34721 47.07 5.68727 50.7953 TIMING: 47000 CPU: 140.03, 0.00294895/step Wall: 140.03, 0.00294895/step, 4.05726 hours remaining, 199.992188 MB of memory in use. ENERGY: 47000 731.2905 2047.9801 1945.3814 101.6566 -206192.2540 17776.8713 0.0000 0.0000 34303.0565 -149286.0176 299.5771 -183589.0741 -149184.2215 299.4531 14.1752 43.9795 556180.1804 -2.6731 -2.7283 PRESSURE: 47200 -97.0741 -25.7058 -185.782 -25.7053 154.592 -45.2849 -185.783 -45.2846 109.517 GPRESSURE: 47200 -130.226 74.1317 -206.379 -103.922 192.308 -106.28 -273.776 19.0446 203.395 PRESSAVG: 47200 -11.6995 -40.2541 11.6274 -40.2541 -15.6932 8.38492 11.6274 8.38495 60.6606 GPRESSAVG: 47200 -11.6596 -41.0746 14.5252 -39.5567 -16.0413 9.16991 9.56655 8.00875 60.602 TIMING: 47200 CPU: 140.622, 0.00296022/step Wall: 140.622, 0.00296022/step, 4.07261 hours remaining, 200.000000 MB of memory in use. ENERGY: 47200 755.3071 2028.9892 1954.0247 111.7831 -206507.9203 17958.3997 0.0000 0.0000 34427.4975 -149271.9190 300.6639 -183699.4165 -149164.1745 299.4786 55.6782 88.4923 555749.5604 11.0893 10.9671 PRESSURE: 47400 -250.607 -4.23462 -34.8334 -4.23361 -286.935 -236.817 -34.8336 -236.818 -320.984 GPRESSURE: 47400 -234.051 24.9781 -11.8459 -9.522 -264.186 -155.768 -166.007 -228.33 -262.184 PRESSAVG: 47400 -28.4689 11.0423 23.9348 11.0424 -22.1652 -22.6598 23.9348 -22.6599 51.2982 GPRESSAVG: 47400 -28.9495 11.3553 23.6324 10.9973 -21.0118 -24.3481 24.0847 -20.7227 51.2687 TIMING: 47400 CPU: 141.21, 0.00294262/step Wall: 141.21, 0.00294262/step, 4.04823 hours remaining, 200.000000 MB of memory in use. ENERGY: 47400 758.6648 2067.6419 1937.6104 114.6954 -205382.9248 17281.6832 0.0000 0.0000 34123.9008 -149098.7284 298.0125 -183222.6291 -149000.0029 298.9093 -286.1754 -253.4736 558994.7417 0.2213 0.4358 PRESSURE: 47600 18.9257 -193.366 26.7045 -193.366 191.579 -113.496 26.7051 -113.495 -191.914 GPRESSURE: 47600 13.5925 -228.305 17.8138 -190.453 193.823 -148.242 -38.3454 -131.006 -86.5997 PRESSAVG: 47600 9.00827 -77.9257 24.8202 -77.9257 14.1188 -57.1957 24.8203 -57.1957 -30.7139 GPRESSAVG: 47600 8.77428 -81.697 25.9715 -78.2863 15.0842 -56.449 24.1081 -56.673 -31.1948 TIMING: 47600 CPU: 141.802, 0.00296064/step Wall: 141.802, 0.00296064/step, 4.07285 hours remaining, 200.000000 MB of memory in use. ENERGY: 47600 727.2175 2033.2152 1937.0425 107.4355 -206094.0258 17791.1495 0.0000 0.0000 34439.1170 -149058.8486 300.7654 -183497.9655 -148965.4491 299.7356 6.1970 40.2720 556977.5720 -2.5290 -2.4455 PRESSURE: 47800 -286.15 118.048 -59.5788 118.048 -192.247 31.027 -59.5784 31.0254 -378.73 GPRESSURE: 47800 -261.611 59.041 -67.3422 119.927 -173.851 57.3883 -53.1795 -65.6704 -327.629 PRESSAVG: 47800 -19.4354 -4.74941 -21.0064 -4.74935 103.389 -23.483 -21.0064 -23.4829 -128.478 GPRESSAVG: 47800 -19.4573 -3.18658 -24.7194 -4.06881 102.392 -24.2723 -16.455 -24.3991 -126.886 TIMING: 47800 CPU: 142.396, 0.00296863/step Wall: 142.396, 0.00296863/step, 4.08368 hours remaining, 200.000000 MB of memory in use. ENERGY: 47800 802.4834 2040.0920 1953.9599 100.7751 -205522.4613 17391.0811 0.0000 0.0000 34268.9792 -148965.0907 299.2795 -183234.0699 -148866.0319 299.7681 -285.7088 -254.3636 557474.3165 -14.8416 -14.6504 PRESSURE: 48000 29.3579 -26.9601 22.7733 -26.9607 -87.1138 46.9767 22.7735 46.977 -92.143 GPRESSURE: 48000 51.9665 -38.4032 44.5845 2.44286 -67.3249 -8.43946 -62.269 81.2747 -39.7631 PRESSAVG: 48000 -31.165 9.68194 -22.9463 9.68204 79.6072 -31.4365 -22.9464 -31.4365 3.41898 GPRESSAVG: 48000 -30.4059 11.7458 -19.6347 9.25623 79.3143 -31.4658 -25.832 -30.1821 2.79247 TIMING: 48000 CPU: 142.988, 0.0029594/step Wall: 142.988, 0.0029594/step, 4.07082 hours remaining, 200.000000 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: 48000 714.1849 2016.0336 1953.5886 123.8100 -205927.5551 17703.8887 0.0000 0.0000 34433.5824 -148982.4668 300.7170 -183416.0493 -148887.1598 300.1657 -49.9663 -18.3738 556698.0936 17.2871 17.2336 PRESSURE: 48200 243.013 102.932 -6.74607 102.932 170.416 171.588 -6.74539 171.588 -208.735 GPRESSURE: 48200 307.034 62.0888 58.6325 89.5675 175.239 205.398 -10.8509 94.1287 -185.724 PRESSAVG: 48200 -4.40043 -12.9243 27.6506 -12.9243 18.4741 7.72103 27.6506 7.72106 -58.6554 GPRESSAVG: 48200 -3.83994 -14.6767 26.7612 -12.0054 18.8578 9.3194 28.0423 6.49654 -58.9603 TIMING: 48200 CPU: 143.58, 0.0029591/step Wall: 143.58, 0.0029591/step, 4.07025 hours remaining, 200.003906 MB of memory in use. ENERGY: 48200 722.9391 2056.9916 1932.1645 117.0799 -206318.7191 17995.7565 0.0000 0.0000 34350.3363 -149143.4512 299.9900 -183493.7875 -149049.7207 299.8711 68.2312 98.8499 557624.6117 -14.8606 -14.6475 LDB: ============= START OF LOAD BALANCING ============== 147.092 LDB: ============== END OF LOAD BALANCING =============== 147.092 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 147.094 LDB: ============= START OF LOAD BALANCING ============== 147.392 LDB: Largest compute 4773 load 0.031666 is 26.9% of average load 0.117757 LDB: Average compute 0.001733 is 1.5% of average load 0.117757 LDB: TIME 147.394 LOAD: AVG 0.117757 MAX 0.207905 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 199.574 MB LDB: TIME 147.394 LOAD: AVG 0.117757 MAX 0.207905 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.711 MB LDB: TIME 147.394 LOAD: AVG 0.117757 MAX 0.207905 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.711 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 147.396 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 147.4 PRESSURE: 48400 45.0125 16.6554 128.315 16.6555 146.754 181.736 128.314 181.735 83.1504 GPRESSURE: 48400 124.441 47.6337 48.2454 -67.0787 154.769 156.556 133.056 101.042 94.1661 PRESSAVG: 48400 -15.8237 8.80317 37.1128 8.80316 45.7817 -27.9096 37.1128 -27.9096 -6.55016 GPRESSAVG: 48400 -16.2669 10.5698 35.5497 8.08829 46.0239 -29.6106 34.1499 -26.3594 -6.69103 TIMING: 48400 CPU: 144.183, 0.00301857/step Wall: 144.183, 0.00301857/step, 4.15187 hours remaining, 198.671875 MB of memory in use. ENERGY: 48400 756.2560 2014.4038 1932.7731 96.6062 -206264.4282 18055.6938 0.0000 0.0000 34409.1105 -148999.5848 300.5033 -183408.6953 -148900.0584 299.7113 91.6389 124.4585 558271.2128 7.8026 7.6887 PRESSURE: 48600 40.0039 -244.51 83.2683 -244.509 -91.3875 -29.7598 83.2679 -29.7595 71.6377 GPRESSURE: 48600 41.1884 -214.808 92.6398 -231.884 -18.3289 -31.5866 26.2274 14.2582 87.9552 PRESSAVG: 48600 10.2164 65.5671 61.014 65.5671 95.4614 38.6834 61.014 38.6833 -66.735 GPRESSAVG: 48600 9.65274 64.5151 61.1938 64.8664 95.2209 39.1163 63.7585 37.2602 -66.0815 TIMING: 48600 CPU: 144.778, 0.00297468/step Wall: 144.778, 0.00297468/step, 4.09135 hours remaining, 198.875000 MB of memory in use. ENERGY: 48600 727.8483 2052.4354 1948.9773 103.2866 -205779.6738 17766.8014 0.0000 0.0000 34242.7318 -148937.5930 299.0503 -183180.3248 -148839.3477 300.9119 6.7514 36.9382 558755.2359 12.9809 12.9307 PRESSURE: 48800 8.30694 -6.09229 89.0608 -6.0911 -149.273 -127.06 89.0614 -127.058 -100.416 GPRESSURE: 48800 20.8483 -36.3584 47.009 -18.9373 -153.283 -68.3823 125.161 -200.823 -16.9834 PRESSAVG: 48800 -23.1907 3.35994 33.5526 3.36013 2.60224 -58.7854 33.5527 -58.7854 21.3801 GPRESSAVG: 48800 -22.3753 1.82603 34.3788 4.77758 2.61214 -59.9878 33.4399 -56.5572 20.8258 TIMING: 48800 CPU: 145.372, 0.00297011/step Wall: 145.372, 0.00297011/step, 4.0849 hours remaining, 199.078125 MB of memory in use. ENERGY: 48800 744.0267 2057.5439 1953.9618 118.7936 -205911.9625 17596.0591 0.0000 0.0000 34456.0356 -148985.5418 300.9131 -183441.5774 -148894.9227 299.7241 -80.4604 -49.8059 559610.0694 0.2639 0.3542 PRESSURE: 49000 -121.003 -58.7088 32.1807 -58.7087 76.7058 -54.015 32.1812 -54.0144 53.5848 GPRESSURE: 49000 -87.444 -154.453 -85.8865 -115.787 104.288 -26.5436 166.733 -34.1459 72.9566 PRESSAVG: 49000 -32.909 -5.01476 49.207 -5.01461 -19.5716 58.234 49.2069 58.2341 35.4944 GPRESSAVG: 49000 -32.9104 -1.36751 48.5341 -7.23701 -18.7443 59.0962 48.2184 56.9908 35.3286 TIMING: 49000 CPU: 145.964, 0.00295604/step Wall: 145.964, 0.00295604/step, 4.06538 hours remaining, 199.078125 MB of memory in use. ENERGY: 49000 765.1416 2097.1742 1950.8224 111.1057 -206420.2780 18069.5822 0.0000 0.0000 34626.0884 -148800.3634 302.3982 -183426.4518 -148704.6909 300.7016 3.0959 29.9335 558667.5308 -5.6620 -5.4420 PRESSURE: 49200 110.179 19.0035 103.068 19.0041 -296.32 -90.333 103.067 -90.3349 -272.297 GPRESSURE: 49200 158.794 1.53434 -8.00189 44.7836 -324.27 -67.3572 152.195 -141.412 -205.08 PRESSAVG: 49200 20.0231 -45.5143 30.5359 -45.5144 -27.0962 20.1626 30.5359 20.1626 -12.0824 GPRESSAVG: 49200 19.7088 -49.168 30.1762 -43.9865 -28.0846 21.861 33.7025 17.7835 -10.995 TIMING: 49200 CPU: 146.559, 0.00297787/step Wall: 146.559, 0.00297787/step, 4.09523 hours remaining, 199.078125 MB of memory in use. ENERGY: 49200 761.4858 2097.9148 1973.2776 121.5796 -205394.6268 17413.6300 0.0000 0.0000 34233.4442 -148793.2948 298.9692 -183026.7390 -148702.2499 300.4778 -152.8127 -123.5188 558474.2788 -6.3852 -6.4569 PRESSURE: 49400 177.866 24.0499 -45.6081 24.05 39.5282 37.1338 -45.6064 37.1326 15.5634 GPRESSURE: 49400 212.981 36.5086 -52.532 -3.1255 76.3416 28.7552 -50.0728 58.2872 51.3927 PRESSAVG: 49400 14.7751 27.2926 -28.1139 27.2926 12.113 -33.2082 -28.1137 -33.2083 22.5774 GPRESSAVG: 49400 14.9307 28.4082 -28.9725 30.1791 12.4028 -36.0674 -29.62 -29.8209 22.1726 TIMING: 49400 CPU: 147.156, 0.00298422/step Wall: 147.156, 0.00298422/step, 4.1038 hours remaining, 199.078125 MB of memory in use. ENERGY: 49400 766.2044 2059.8159 1954.0169 142.0922 -206050.5707 17860.1697 0.0000 0.0000 34267.8910 -149000.3806 299.2700 -183268.2716 -148907.5499 299.8941 77.6524 113.5719 558284.6624 16.4885 16.5020 PRESSURE: 49600 -93.8212 109.988 78.942 109.987 -171.926 23.2018 78.9418 23.201 301.487 GPRESSURE: 49600 -4.81756 165.944 77.5531 97.3643 -146.044 -83.206 43.8189 63.4232 277.251 PRESSAVG: 49600 12.4262 5.12736 4.91659 5.12736 -63.2225 44.2153 4.91658 44.2152 49.288 GPRESSAVG: 49600 13.81 4.95312 7.88111 4.4744 -64.379 46.0165 2.73941 42.1743 49.1567 TIMING: 49600 CPU: 147.757, 0.00300549/step Wall: 147.757, 0.00300549/step, 4.13288 hours remaining, 199.078125 MB of memory in use. ENERGY: 49600 770.2052 2108.7298 1945.0557 123.7670 -205814.4009 17625.8754 0.0000 0.0000 34208.1613 -149032.6064 298.7484 -183240.7677 -148931.6243 299.9822 11.9134 42.1297 556714.0344 -0.5027 -0.4708 PRESSURE: 49800 -255.926 10.1694 230.632 10.1698 -102.69 69.231 230.632 69.2302 22.6475 GPRESSURE: 49800 -196.045 -37.5212 256.3 -22.7077 -116.536 117.941 202.414 -15.1269 60.0272 PRESSAVG: 49800 -7.64711 30.6276 14.1087 30.6276 8.69666 27.8075 14.1087 27.8076 34.3953 GPRESSAVG: 49800 -7.93241 31.0735 11.7097 28.0862 8.70465 28.1257 15.3447 27.1252 35.1534 TIMING: 49800 CPU: 148.352, 0.00297618/step Wall: 148.352, 0.00297618/step, 4.09241 hours remaining, 199.078125 MB of memory in use. ENERGY: 49800 733.3277 2108.4195 1958.4138 129.5664 -205802.8641 17386.1786 0.0000 0.0000 34636.5799 -148850.3783 302.4899 -183486.9582 -148755.3381 299.7069 -111.9896 -84.1846 555937.9527 11.8149 11.9752 PRESSURE: 50000 15.611 -63.1647 -109.872 -63.1659 179.973 -93.5598 -109.872 -93.56 229.968 GPRESSURE: 50000 13.1303 -1.45251 -104.687 -69.477 240.623 -35.3642 -153.411 -112.929 269.191 PRESSAVG: 50000 -25.4331 -28.7777 -39.7475 -28.7777 25.1684 -17.3761 -39.7475 -17.3761 49.6425 GPRESSAVG: 50000 -25.7927 -30.4819 -41.5118 -26.6477 26.0075 -16.2582 -38.6901 -16.1341 49.535 TIMING: 50000 CPU: 148.943, 0.00295468/step Wall: 148.943, 0.00295468/step, 4.06269 hours remaining, 199.078125 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: 50000 775.7038 2059.9296 1930.1032 121.7598 -205919.3221 17826.0674 0.0000 0.0000 34453.0275 -148752.7309 300.8869 -183205.7584 -148664.5612 300.9743 141.8505 174.3147 556160.6220 16.4593 16.5833 PRESSURE: 50200 -43.756 25.8114 24.9038 25.8117 -42.2587 75.9837 24.9032 75.9854 -167.209 GPRESSURE: 50200 -63.0821 39.6595 62.8677 24.8297 -1.68787 93.2009 16.1571 17.3347 -99.3817 PRESSAVG: 50200 35.3791 47.0381 -43.9427 47.0381 24.8077 5.63479 -43.9427 5.63482 -27.2966 GPRESSAVG: 50200 34.4589 50.0212 -41.9653 45.2004 26.0131 3.66175 -45.806 5.50059 -27.1107 TIMING: 50200 CPU: 149.534, 0.00295579/step Wall: 149.534, 0.00295579/step, 4.06405 hours remaining, 199.078125 MB of memory in use. ENERGY: 50200 747.5580 2086.4999 1962.8732 104.3697 -205865.6486 17615.5661 0.0000 0.0000 34353.3548 -148995.4269 300.0164 -183348.7817 -148894.1726 300.1508 -84.4079 -54.7172 557471.1980 10.9634 11.1204 PRESSURE: 50400 134.953 -19.7149 -157.654 -19.7135 44.9876 -13.3871 -157.654 -13.3877 94.2768 GPRESSURE: 50400 200.942 13.2153 -193.332 50.7387 21.5849 60.3615 -94.6262 -17.69 136.584 PRESSAVG: 50400 74.093 -2.43344 -12.7499 -2.43342 -6.53152 13.7382 -12.75 13.7383 -56.1519 GPRESSAVG: 50400 73.4335 -5.43344 -9.93944 -2.5857 -7.50964 15.9798 -14.0637 12.5373 -54.8921 TIMING: 50400 CPU: 150.131, 0.00298063/step Wall: 150.131, 0.00298063/step, 4.09803 hours remaining, 199.078125 MB of memory in use. ENERGY: 50400 721.0720 2100.6940 1925.9147 110.1678 -206058.0604 17831.0587 0.0000 0.0000 34308.0602 -149061.0932 299.6208 -183369.1534 -148967.5459 300.5360 91.4059 119.7036 556955.2199 3.8032 3.6773 PRESSURE: 50600 104.933 55.7865 -4.55908 55.7868 142.709 -4.77243 -4.55914 -4.77206 101.095 GPRESSURE: 50600 108.98 113.542 -96.7421 5.87265 205.397 98.1623 -5.32796 -139.901 157.055 PRESSAVG: 50600 5.77522 35.207 2.05615 35.207 34.6515 25.3572 2.05612 25.357 -2.94981 GPRESSAVG: 50600 6.85855 36.8548 -0.0283404 34.5941 35.5397 26.4632 2.04821 24.8271 -4.58206 TIMING: 50600 CPU: 150.727, 0.0029838/step Wall: 150.727, 0.0029838/step, 4.10223 hours remaining, 199.078125 MB of memory in use. ENERGY: 50600 703.8284 2070.6510 1966.7708 120.1791 -206120.5550 17962.7164 0.0000 0.0000 34353.2937 -148943.1155 300.0159 -183296.4092 -148849.7726 299.4161 116.2456 157.1437 556748.8845 12.4923 12.6054 PRESSURE: 50800 -60.808 -180.258 17.6549 -180.259 -55.6552 48.986 17.6538 48.9849 -356.56 GPRESSURE: 50800 -28.029 -211.731 20.0976 -126.074 -57.0644 -0.924877 -52.7894 15.1492 -286.359 PRESSAVG: 50800 1.51637 -20.5167 20.0203 -20.5167 48.0636 -4.77726 20.0202 -4.77724 -83.6877 GPRESSAVG: 50800 2.79746 -22.112 20.4942 -19.1296 46.1478 -6.75696 20.2552 -3.54126 -83.4032 TIMING: 50800 CPU: 151.326, 0.00299192/step Wall: 151.326, 0.00299192/step, 4.11322 hours remaining, 199.078125 MB of memory in use. ENERGY: 50800 757.5002 1989.5286 1911.4900 109.5523 -205565.3465 17647.9577 0.0000 0.0000 34345.0326 -148804.2850 299.9437 -183149.3177 -148706.2437 299.2863 -157.6743 -123.8176 559640.4064 -11.3692 -11.4860 PRESSURE: 51000 95.4501 15.5445 -69.1432 15.5459 167.697 18.5487 -69.1433 18.5492 -122.728 GPRESSURE: 51000 82.4824 -10.6553 -23.6173 56.8599 218.321 40.5568 -107.356 86.1626 -79.8063 PRESSAVG: 51000 68.4185 4.53513 17.081 4.5351 66.623 8.03772 17.081 8.03788 -102.278 GPRESSAVG: 51000 67.8951 6.24928 17.3656 5.81627 66.7822 9.07533 17.8787 7.49846 -102.274 TIMING: 51000 CPU: 151.925, 0.00299432/step Wall: 151.925, 0.00299432/step, 4.11635 hours remaining, 199.078125 MB of memory in use. ENERGY: 51000 739.2597 2081.4769 1934.2642 107.7217 -205931.3968 17859.1082 0.0000 0.0000 34412.8189 -148796.7473 300.5357 -183209.5661 -148699.2029 300.5716 46.8065 73.6658 557829.6160 10.9212 10.8012 PRESSURE: 51200 291.232 -217.602 -256.717 -217.601 -144.385 -71.1625 -256.717 -71.16 -160.367 GPRESSURE: 51200 302.581 -163.326 -170.176 -219.892 -85.8037 -134.93 -300.912 -4.9489 -132.036 PRESSAVG: 51200 -20.3142 3.32746 -42.6649 3.32743 104.483 6.99023 -42.6649 6.99015 -61.114 GPRESSAVG: 51200 -20.9912 2.76543 -44.1736 1.53081 105.596 8.55996 -42.8321 6.5367 -60.9699 TIMING: 51200 CPU: 152.525, 0.00300283/step Wall: 152.525, 0.00300283/step, 4.12789 hours remaining, 199.078125 MB of memory in use. ENERGY: 51200 743.5099 2071.9952 1950.0149 115.5483 -205957.0702 17788.6969 0.0000 0.0000 34387.4492 -148899.8557 300.3141 -183287.3048 -148803.6453 300.3709 -4.5067 28.2469 557502.0560 7.6850 7.8784 PRESSURE: 51400 14.0954 -59.0587 30.094 -59.0592 -194.383 -33.4224 30.0937 -33.4235 30.8202 GPRESSURE: 51400 29.2299 -88.7408 -7.26481 -112.522 -121.086 26.6871 18.5667 -52.6972 40.7868 PRESSAVG: 51400 -1.31043 11.3671 12.8686 11.3671 19.323 0.63761 12.8686 0.637703 6.17975 GPRESSAVG: 51400 -0.747083 11.5028 14.8781 9.8899 18.1152 -1.09245 12.2565 -0.18839 6.97027 TIMING: 51400 CPU: 153.122, 0.00298349/step Wall: 153.122, 0.00298349/step, 4.10114 hours remaining, 199.078125 MB of memory in use. ENERGY: 51400 745.1435 2034.8621 1963.3217 116.3426 -205825.4162 17748.0300 0.0000 0.0000 34306.3511 -148911.3652 299.6059 -183217.7164 -148813.3217 300.4759 -49.8225 -17.0231 558721.2558 8.0641 8.1128 PRESSURE: 51600 -267.535 62.8697 -23.1319 62.8702 -105.363 67.2146 -23.1325 67.214 -16.0163 GPRESSURE: 51600 -238.777 78.2382 49.7747 71.7526 -80.8031 99.3635 -29.5098 40.2364 34.6613 PRESSAVG: 51600 -9.76919 47.8539 -1.6684 47.854 18.6182 -48.6811 -1.66847 -48.681 43.1813 GPRESSAVG: 51600 -10.3251 48.4298 -4.12404 49.7327 19.7077 -48.3268 -0.384769 -48.6216 43.0922 TIMING: 51600 CPU: 153.717, 0.00297387/step Wall: 153.717, 0.00297387/step, 4.08775 hours remaining, 199.078125 MB of memory in use. ENERGY: 51600 735.1517 2113.4558 1954.4897 118.1353 -205787.0931 17534.8682 0.0000 0.0000 34309.4388 -149021.5537 299.6329 -183330.9924 -148927.0046 300.0433 -129.6380 -94.9729 558081.7508 17.3434 17.4916 PRESSURE: 51800 -187.568 -41.5113 -89.208 -41.5108 -207.943 0.475142 -89.2075 0.474278 78.9654 GPRESSURE: 51800 -183.468 -27.2294 -49.64 56.6808 -144.94 1.90542 -58.4517 33.8327 114.986 PRESSAVG: 51800 12.9104 5.24323 -41.9263 5.24336 49.3517 -3.02072 -41.9263 -3.02082 -52.4011 GPRESSAVG: 51800 12.7422 3.1323 -38.8942 5.63983 49.5877 -2.91606 -44.4852 -3.18021 -52.2998 TIMING: 51800 CPU: 154.31, 0.00296808/step Wall: 154.31, 0.00296808/step, 4.07962 hours remaining, 199.078125 MB of memory in use. ENERGY: 51800 752.2519 2095.3102 1924.4242 123.1715 -206008.8323 17573.1092 0.0000 0.0000 34428.8342 -149111.7311 300.6756 -183540.5653 -149012.3732 299.8363 -105.5154 -71.1407 557351.2088 3.2870 3.3434 PRESSURE: 52000 149.356 -176.568 124.168 -176.568 248.351 32.8995 124.169 32.898 -27.8032 GPRESSURE: 52000 153.394 -120.085 56.5025 -184.047 294.161 23.7593 186.272 -6.78067 12.3627 PRESSAVG: 52000 -32.073 -34.7746 37.0955 -34.7745 63.9076 9.99323 37.0955 9.99331 -16.6775 GPRESSAVG: 52000 -33.43 -33.2706 35.6675 -34.7446 65.8101 9.18068 38.7463 11.9742 -16.9627 TIMING: 52000 CPU: 154.907, 0.0029817/step Wall: 154.907, 0.0029817/step, 4.09818 hours remaining, 199.078125 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: 52000 712.2618 2102.8314 1974.0774 120.9926 -206345.8704 17899.1368 0.0000 0.0000 34342.7896 -149193.7809 299.9241 -183536.5704 -149097.4565 300.0549 123.3014 153.3059 555854.3598 5.0523 5.1391 PRESSURE: 52200 -57.1306 -147.317 143.64 -147.317 -86.7533 -60.5411 143.64 -60.5394 -142.491 GPRESSURE: 52200 -38.1138 -174.576 71.2845 -120.108 -90.6093 21.5843 163.677 -144.889 -61.8902 PRESSAVG: 52200 -8.01856 -41.3522 25.7035 -41.352 22.8929 -3.81782 25.7036 -3.81782 -33.0118 GPRESSAVG: 52200 -6.68572 -42.7752 23.5358 -41.9053 21.5777 -3.76139 27.1047 -3.19959 -33.1091 TIMING: 52200 CPU: 155.499, 0.00296271/step Wall: 155.499, 0.00296271/step, 4.07192 hours remaining, 199.078125 MB of memory in use. ENERGY: 52200 770.8373 2081.4063 1938.1032 131.1993 -205956.3088 17746.3783 0.0000 0.0000 34196.2922 -149092.0922 298.6447 -183288.3844 -148997.0710 300.0965 -95.4584 -63.5378 558029.8580 -6.0458 -6.0724 LDB: ============= START OF LOAD BALANCING ============== 159.012 LDB: ============== END OF LOAD BALANCING =============== 159.012 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 159.013 LDB: ============= START OF LOAD BALANCING ============== 159.311 LDB: Largest compute 4773 load 0.031065 is 26.4% of average load 0.117791 LDB: Average compute 0.001728 is 1.5% of average load 0.117791 LDB: TIME 159.313 LOAD: AVG 0.117791 MAX 0.208147 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 198.094 MB LDB: TIME 159.314 LOAD: AVG 0.117791 MAX 0.208147 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 198.297 MB LDB: TIME 159.314 LOAD: AVG 0.117791 MAX 0.208147 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 198.297 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 159.316 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 159.32 PRESSURE: 52400 30.2715 60.2266 -102.287 60.2269 281.778 37.8024 -102.287 37.8025 33.4931 GPRESSURE: 52400 45.5533 56.1266 -120.832 83.5067 310.438 -55.4191 -109.45 49.567 84.4959 PRESSAVG: 52400 -1.49882 -13.3327 -22.9063 -13.3328 30.4146 -41.9531 -22.9062 -41.9531 -11.7072 GPRESSAVG: 52400 -0.197326 -12.6682 -20.0562 -13.3957 29.6778 -42.7005 -24.5975 -42.5376 -12.3998 TIMING: 52400 CPU: 156.103, 0.00301938/step Wall: 156.103, 0.00301938/step, 4.14963 hours remaining, 198.132812 MB of memory in use. ENERGY: 52400 748.3866 2037.3012 1932.9857 108.6244 -206431.9185 17930.7444 0.0000 0.0000 34349.1332 -149324.7430 299.9795 -183673.8762 -149218.4856 299.7118 115.1809 146.8292 555710.8964 5.7362 5.6936 PRESSURE: 52600 81.516 61.3792 -164.987 61.3802 -223.234 79.2023 -164.985 79.2024 -343.806 GPRESSURE: 52600 86.6114 12.2522 -119.661 110.437 -184.292 -5.87453 -166.021 147.353 -285.234 PRESSAVG: 52600 30.0911 17.3805 -23.8813 17.3806 20.8283 46.74 -23.8813 46.74 -85.0107 GPRESSAVG: 52600 28.2037 18.3426 -24.9247 17.8622 20.5231 46.7476 -23.0488 45.2883 -82.6862 TIMING: 52600 CPU: 156.696, 0.00296507/step Wall: 156.696, 0.00296507/step, 4.07483 hours remaining, 198.132812 MB of memory in use. ENERGY: 52600 762.3871 2072.6383 1939.2412 117.6479 -205834.5432 17534.8456 0.0000 0.0000 34035.6901 -149372.0929 297.2421 -183407.7830 -149276.0024 298.9869 -161.8414 -127.6382 557990.6638 -11.3638 -11.3198 PRESSURE: 52800 7.57447 62.7458 -171.832 62.7452 -75.2196 49.8968 -171.832 49.8978 -154.499 GPRESSURE: 52800 -0.376786 155.846 -158.643 24.8129 1.78202 22.7865 -230.117 75.2351 -139.204 PRESSAVG: 52800 78.0259 -15.5412 -13.0898 -15.5412 -67.0882 31.8682 -13.0898 31.8683 -31.9921 GPRESSAVG: 52800 77.5257 -17.6018 -13.8211 -15.1551 -65.503 34.4673 -14.5577 32.4534 -32.9328 TIMING: 52800 CPU: 157.291, 0.00297455/step Wall: 157.291, 0.00297455/step, 4.08769 hours remaining, 198.132812 MB of memory in use. ENERGY: 52800 768.6547 2031.7631 1934.9514 110.5098 -206202.6671 17881.8643 0.0000 0.0000 34125.3438 -149349.5801 298.0251 -183474.9238 -149254.3011 298.3502 -74.0480 -45.9328 558334.5982 -7.0181 -6.9701 PRESSURE: 53000 -52.7363 71.9168 82.5936 71.9178 -188.254 -14.1315 82.5935 -14.1307 -26.1085 GPRESSURE: 53000 16.245 34.5174 83.5262 88.8925 -182.825 14.6632 21.222 -0.496417 3.22199 PRESSAVG: 53000 -42.605 43.3568 -2.35181 43.3568 52.9451 4.64386 -2.35178 4.64381 23.2311 GPRESSAVG: 53000 -41.2786 44.6704 -0.0658926 43.2141 51.8071 4.30076 -2.48457 4.06304 23.216 TIMING: 53000 CPU: 157.887, 0.00297885/step Wall: 157.887, 0.00297885/step, 4.09343 hours remaining, 198.378906 MB of memory in use. ENERGY: 53000 756.4926 2075.4608 1938.1378 120.8669 -206284.0402 17898.8733 0.0000 0.0000 34287.4719 -149206.7370 299.4410 -183494.2089 -149112.6792 299.0932 -89.0330 -54.4527 558270.5431 11.1904 11.2482 PRESSURE: 53200 134.68 -4.73246 -160.529 -4.73257 51.5901 1.40712 -160.529 1.40696 138.255 GPRESSURE: 53200 100.769 -63.985 -127.976 13.1043 94.1255 54.5027 -166.22 -37.9393 233.845 PRESSAVG: 53200 70.143 -18.1139 15.0273 -18.1139 7.54046 12.9864 15.0274 12.9862 -52.2701 GPRESSAVG: 53200 70.8072 -18.9037 13.8619 -20.3323 7.38879 11.8336 15.8959 13.0549 -52.6815 TIMING: 53200 CPU: 158.481, 0.00297082/step Wall: 158.481, 0.00297082/step, 4.08224 hours remaining, 198.378906 MB of memory in use. ENERGY: 53200 753.8953 2088.3203 1954.3004 112.4220 -206411.9596 18108.7151 0.0000 0.0000 34206.9104 -149187.3961 298.7375 -183394.3065 -149095.5456 299.9138 108.1749 142.9131 557709.2648 8.4711 8.5048 PRESSURE: 53400 240.438 -85.2711 54.054 -85.272 199.755 -134.234 54.0554 -134.234 116.951 GPRESSURE: 53400 243.841 -59.0793 46.9507 -17.8963 254.633 -146.294 84.0556 -97.2413 149.163 PRESSAVG: 53400 -0.836099 8.17195 24.9749 8.1719 38.4279 6.74184 24.9749 6.74193 -50.6068 GPRESSAVG: 53400 -0.714745 9.89904 23.612 10.352 37.3699 6.00214 27.7674 8.97967 -49.9256 TIMING: 53400 CPU: 159.075, 0.00297005/step Wall: 159.075, 0.00297005/step, 4.08102 hours remaining, 198.378906 MB of memory in use. ENERGY: 53400 685.7915 2093.6683 1962.0199 107.1193 -206560.3817 18131.6880 0.0000 0.0000 34389.0078 -149191.0870 300.3278 -183580.0948 -149092.5509 299.7123 185.7146 215.8790 557599.9276 -4.3383 -4.4235 PRESSURE: 53600 151.757 24.1521 -55.2568 24.1519 -149.99 -29.785 -55.2573 -29.785 -47.497 GPRESSURE: 53600 146.879 82.4201 -58.2143 -52.3432 -91.5384 -2.47222 -21.7514 -13.4434 0.119203 PRESSAVG: 53600 46.6517 1.61203 31.8051 1.61205 -51.1629 47.1527 31.8051 47.1525 -17.9276 GPRESSAVG: 53600 45.0446 1.33328 32.7987 0.873491 -47.7693 47.3452 28.8157 46.7103 -19.4837 TIMING: 53600 CPU: 159.669, 0.00297012/step Wall: 159.669, 0.00297012/step, 4.08094 hours remaining, 198.378906 MB of memory in use. ENERGY: 53600 781.4188 2078.8136 1960.4272 107.3479 -206188.6740 17775.3295 0.0000 0.0000 34198.1907 -149287.1464 298.6613 -183485.3370 -149190.1603 299.3807 -15.2434 18.4866 557119.0739 -7.4796 -7.4028 PRESSURE: 53800 -51.2423 -56.0108 -57.1746 -56.0121 -138.389 60.5846 -57.1738 60.5854 -175.878 GPRESSURE: 53800 4.82263 -51.0508 13.708 -113.585 -142.119 55.2347 -45.8428 56.5008 -126.062 PRESSAVG: 53800 42.3895 58.5619 11.7714 58.5619 -46.5569 -11.4376 11.7715 -11.4375 -42.1789 GPRESSAVG: 53800 42.8786 57.5683 10.7073 58.2944 -48.7849 -11.1612 12.0047 -12.9098 -40.5732 TIMING: 53800 CPU: 160.267, 0.0029909/step Wall: 160.267, 0.0029909/step, 4.10933 hours remaining, 198.378906 MB of memory in use. ENERGY: 53800 728.7356 2114.8625 1961.0380 107.0835 -205962.0562 17690.3892 0.0000 0.0000 34043.6740 -149316.2733 297.3119 -183359.9473 -149227.4803 298.6157 -121.8364 -87.7860 556562.3991 -15.4487 -15.4932 PRESSURE: 54000 -175.29 59.2697 -107.583 59.2689 -241.365 -120.722 -107.583 -120.723 -25.4415 GPRESSURE: 54000 -148.488 58.8737 -52.4279 80.4243 -185.803 -52.127 -67.5194 -165.859 -15.8839 PRESSAVG: 54000 56.1164 47.7319 -6.15988 47.7319 -73.0661 -24.0057 -6.15987 -24.0057 28.6765 GPRESSAVG: 54000 56.7477 47.0592 -3.72039 48.2589 -73.2546 -24.6356 -6.54003 -23.4748 28.0134 TIMING: 54000 CPU: 160.863, 0.00298077/step Wall: 160.863, 0.00298077/step, 4.09524 hours remaining, 198.378906 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: 54000 743.2047 2082.0534 1928.6402 106.0622 -205957.9875 17624.4945 0.0000 0.0000 34171.7872 -149301.7452 298.4307 -183473.5325 -149211.0467 299.0473 -147.3657 -116.7247 557155.3346 3.9089 3.8355 PRESSURE: 54200 288.003 -2.1106 -168.812 -2.11082 29.3416 115.231 -168.814 115.232 180.927 GPRESSURE: 54200 298.101 41.9487 -175.88 -13.7524 88.5067 175.971 -154.435 82.2163 214.209 PRESSAVG: 54200 -11.5605 23.1536 -12.6293 23.1536 -26.7218 66.268 -12.6294 66.2679 26.2939 GPRESSAVG: 54200 -12.9314 24.1822 -13.1482 21.5888 -25.9613 67.4966 -12.6966 62.751 27.3419 TIMING: 54200 CPU: 161.461, 0.00298721/step Wall: 161.461, 0.00298721/step, 4.10393 hours remaining, 198.378906 MB of memory in use. ENERGY: 54200 700.1905 2095.0124 1969.0268 106.3087 -206170.3320 17876.7511 0.0000 0.0000 34212.7386 -149210.3038 298.7884 -183423.0424 -149116.8997 298.2689 166.0907 200.2722 555962.2682 -3.9961 -3.8503 PRESSURE: 54400 -91.7661 -89.6803 -136.651 -89.6794 -157.363 89.9524 -136.651 89.9517 -98.9008 GPRESSURE: 54400 -42.4922 -182.062 -104.552 -53.7567 -128.277 92.9979 -121.203 153.65 -87.7695 PRESSAVG: 54400 25.5408 -42.6186 -31.4116 -42.6185 -25.8221 27.9299 -31.4116 27.9298 48.346 GPRESSAVG: 54400 25.8189 -43.8418 -30.6902 -41.6385 -26.6181 25.3577 -32.7252 30.7041 48.9228 TIMING: 54400 CPU: 162.061, 0.00299996/step Wall: 162.061, 0.00299996/step, 4.12127 hours remaining, 198.378906 MB of memory in use. ENERGY: 54400 690.2627 2035.6802 1945.7187 118.6252 -205328.8824 17287.2911 0.0000 0.0000 34019.3921 -149231.9124 297.0998 -183251.3045 -149127.9977 298.3095 -116.0100 -86.1796 557152.1023 16.0216 16.0412 PRESSURE: 54600 123.016 -41.1599 100.294 -41.161 173.602 73.0776 100.295 73.0786 92.4088 GPRESSURE: 54600 116.626 -113.396 89.0845 -23.4412 218.774 121.91 117.481 71.8125 142.087 PRESSAVG: 54600 28.2405 -53.1679 42.8022 -53.168 -33.8247 45.5271 42.8022 45.5272 16.4541 GPRESSAVG: 54600 27.6842 -53.6198 39.1983 -52.3184 -30.8197 47.3883 44.3947 44.111 13.9436 TIMING: 54600 CPU: 162.657, 0.00298192/step Wall: 162.657, 0.00298192/step, 4.09633 hours remaining, 198.378906 MB of memory in use. ENERGY: 54600 715.7171 2080.2624 1960.8585 112.9533 -206214.7834 17956.0064 0.0000 0.0000 34234.1343 -149154.8516 298.9752 -183388.9858 -149060.3220 299.0094 129.6755 159.1626 556226.1753 3.6233 3.6027 PRESSURE: 54800 226.985 60.7337 90.5535 60.7361 16.7063 133.007 90.5557 133.007 178.728 GPRESSURE: 54800 246.907 120.382 66.8701 134.584 41.0346 82.9254 69.2462 115.991 229.507 PRESSAVG: 54800 15.2912 26.3731 44.6314 26.3731 -38.9661 17.9363 44.6315 17.9364 8.98827 GPRESSAVG: 54800 16.4866 27.4048 44.9369 25.4162 -40.5709 17.5678 44.7999 19.2395 10.1121 TIMING: 54800 CPU: 163.254, 0.00298416/step Wall: 163.254, 0.00298416/step, 4.09924 hours remaining, 198.378906 MB of memory in use. ENERGY: 54800 719.2781 2051.7888 1940.5215 119.1589 -206114.2400 17939.3571 0.0000 0.0000 34318.4240 -149025.7116 299.7113 -183344.1356 -148924.6521 299.1907 140.8065 172.4829 556562.0270 -4.8955 -4.6574 PRESSURE: 55000 -278.874 -43.6633 30.6663 -43.6642 -169.106 -19.321 30.6647 -19.321 -431.183 GPRESSURE: 55000 -246.153 35.6153 8.70527 -88.3953 -121.93 -6.66619 16.0361 66.5872 -398.622 PRESSAVG: 55000 17.6643 4.80576 0.561562 4.80576 56.2737 14.5914 0.561511 14.5914 -34.3724 GPRESSAVG: 55000 16.7901 4.07953 3.16668 7.31727 56.7285 14.6633 -0.161141 13.8607 -33.7594 TIMING: 55000 CPU: 163.849, 0.00297509/step Wall: 163.849, 0.00297509/step, 4.08662 hours remaining, 198.378906 MB of memory in use. ENERGY: 55000 783.2872 2030.1279 1959.9346 115.1565 -205557.8616 17484.7122 0.0000 0.0000 34191.4487 -148993.1945 298.6024 -183184.6432 -148898.7342 299.3744 -293.0544 -255.5685 559205.2372 13.1886 13.2531 PRESSURE: 55200 -70.7133 97.0643 -106.088 97.063 -62.3056 -12.2105 -106.087 -12.2107 -81.5466 GPRESSURE: 55200 -67.1014 128.485 -56.9523 155.653 -5.08105 -37.8127 -112.213 63.015 -53.5015 PRESSAVG: 55200 -12.3677 1.80543 18.8027 1.80544 -62.1963 73.4253 18.8027 73.4253 40.1338 GPRESSAVG: 55200 -12.755 1.0415 16.5813 -1.52489 -61.3068 72.1236 20.4585 73.7951 39.7913 TIMING: 55200 CPU: 164.442, 0.00296626/step Wall: 164.442, 0.00296626/step, 4.07433 hours remaining, 198.378906 MB of memory in use. ENERGY: 55200 736.1664 2065.6864 1938.6053 102.4866 -205724.9828 17592.7245 0.0000 0.0000 34356.2049 -148933.1088 300.0413 -183289.3137 -148837.8179 300.7162 -71.5218 -41.8946 558919.3868 -11.4767 -11.4235 PRESSURE: 55400 -56.9548 -1.99492 182.731 -1.9966 -290.248 0.740683 182.73 0.739821 -136.071 GPRESSURE: 55400 25.0042 -54.7875 203.472 -62.7468 -273.49 -13.425 164.362 60.9738 -144.154 PRESSAVG: 55400 32.1421 -23.7925 -27.6082 -23.7926 -104.715 39.393 -27.6083 39.393 53.9524 GPRESSAVG: 55400 33.7507 -21.1683 -26.6562 -21.7888 -106.287 37.4668 -27.9356 41.2723 54.1716 TIMING: 55400 CPU: 165.038, 0.00297933/step Wall: 165.038, 0.00297933/step, 4.09211 hours remaining, 198.378906 MB of memory in use. ENERGY: 55400 773.2602 2026.0872 1967.8037 109.4191 -205683.6586 17614.0680 0.0000 0.0000 34240.4463 -148952.5741 299.0303 -183193.0204 -148858.2042 300.7222 -161.0912 -130.8798 557111.8726 -6.2068 -6.1214 PRESSURE: 55600 173.463 99.6073 123.775 99.6061 -71.4055 141.303 123.774 141.303 -147.06 GPRESSURE: 55600 149.914 -6.57969 88.2191 144.747 -6.94275 133.257 61.3772 34.7325 -104.3 PRESSAVG: 55600 19.9491 1.50278 29.4755 1.50274 -32.7717 -10.5192 29.4755 -10.5193 -7.77079 GPRESSAVG: 55600 18.6118 -1.11244 31.6771 2.36768 -31.1739 -8.6659 26.9155 -12.238 -8.0646 TIMING: 55600 CPU: 165.633, 0.00297521/step Wall: 165.633, 0.00297521/step, 4.08629 hours remaining, 198.378906 MB of memory in use. ENERGY: 55600 704.3960 2041.6163 1929.4228 101.3924 -205835.8613 17740.1816 0.0000 0.0000 34296.7660 -149022.0862 299.5222 -183318.8522 -148923.2473 300.3147 -15.0009 12.8907 559032.3634 -6.8645 -6.8756 PRESSURE: 55800 43.5527 67.5816 36.5854 67.5826 93.813 -58.0052 36.5858 -58.0059 74.4868 GPRESSURE: 55800 14.4392 8.44763 165.506 28.9766 182.476 -64.633 41.4539 -109.642 103.653 PRESSAVG: 55800 -54.5826 30.9145 24.0149 30.9145 22.1992 -2.05063 24.015 -2.05075 9.39938 GPRESSAVG: 55800 -54.6107 31.5924 21.1779 29.8353 21.8012 -2.42741 26.2356 -1.23581 9.64616 TIMING: 55800 CPU: 166.231, 0.0029875/step Wall: 166.231, 0.0029875/step, 4.10301 hours remaining, 198.378906 MB of memory in use. ENERGY: 55800 741.0003 2028.4827 1950.8147 116.6401 -206279.3726 17891.8159 0.0000 0.0000 34380.5816 -149170.0374 300.2542 -183550.6190 -149068.0225 299.8466 70.6175 100.1894 558572.3726 -7.6614 -7.7211 PRESSURE: 56000 -85.1385 106.321 -65.698 106.321 14.0061 -89.8346 -65.6978 -89.8368 -46.9269 GPRESSURE: 56000 -38.8806 132.52 -16.5249 84.3046 47.5368 -131.314 -32.5355 -170.739 -13.7293 PRESSAVG: 56000 0.227043 36.7666 20.9589 36.7666 -22.9071 20.3224 20.9588 20.3223 66.6477 GPRESSAVG: 56000 1.36079 36.7214 19.576 36.7862 -25.2415 22.3748 20.5382 18.5421 67.1512 TIMING: 56000 CPU: 166.824, 0.00296576/step Wall: 166.824, 0.00296576/step, 4.07298 hours remaining, 198.378906 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: 56000 799.1013 2065.7332 1923.7220 107.0610 -206312.5766 17834.9265 0.0000 0.0000 34442.7277 -149139.3049 300.7969 -183582.0327 -149041.9713 300.1634 -39.3531 -1.6910 557299.6801 14.6559 14.4235 PRESSURE: 56200 121.808 -156.12 4.81074 -156.12 -9.10632 -21.5744 4.81149 -21.5736 -0.890646 GPRESSURE: 56200 129.336 -202.022 23.8989 -166.572 16.5108 -30.3218 1.54689 -8.51378 58.6951 PRESSAVG: 56200 23.732 -0.674422 48.0909 -0.674403 13.684 40.8341 48.091 40.8341 -11.1869 GPRESSAVG: 56200 22.4986 -1.82582 50.5436 1.75123 14.7136 39.6357 47.6882 42.285 -10.9935 TIMING: 56200 CPU: 167.417, 0.00296754/step Wall: 167.417, 0.00296754/step, 4.07525 hours remaining, 198.378906 MB of memory in use. ENERGY: 56200 766.4638 2109.3190 1934.7892 111.7623 -205911.1062 17796.4347 0.0000 0.0000 34043.1203 -149149.2170 297.3070 -183192.3373 -149057.6532 300.5276 37.2703 68.1805 557526.9708 8.7430 8.7396 LDB: ============= START OF LOAD BALANCING ============== 170.932 LDB: ============== END OF LOAD BALANCING =============== 170.932 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 170.933 LDB: ============= START OF LOAD BALANCING ============== 171.229 LDB: Largest compute 4773 load 0.030630 is 26.0% of average load 0.117676 LDB: Average compute 0.001729 is 1.5% of average load 0.117676 LDB: TIME 171.231 LOAD: AVG 0.117676 MAX 0.204339 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 200.688 MB LDB: TIME 171.232 LOAD: AVG 0.117676 MAX 0.204339 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200.762 MB LDB: TIME 171.232 LOAD: AVG 0.117676 MAX 0.204339 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200.762 MB LDB: ============== END OF LOAD BALANCING =============== 171.234 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 171.237 PRESSURE: 56400 -194.808 -50.6295 133.217 -50.63 -43.9627 -79.3509 133.217 -79.3499 -264.813 GPRESSURE: 56400 -219.388 -148.394 150.365 58.2911 20.3977 -205.514 143.399 -35.3734 -202.633 PRESSAVG: 56400 -35.349 -30.4639 39.0647 -30.4639 20.4117 6.78879 39.0647 6.78877 9.94324 GPRESSAVG: 56400 -34.7076 -32.0285 38.2035 -30.6073 20.4755 6.86149 40.18 7.2238 9.2745 TIMING: 56400 CPU: 168.021, 0.00301781/step Wall: 168.021, 0.00301781/step, 4.14413 hours remaining, 196.949219 MB of memory in use. ENERGY: 56400 760.4955 2030.9816 1945.0164 112.8283 -205959.9304 17699.1481 0.0000 0.0000 34310.5244 -149100.9361 299.6423 -183411.4605 -149004.2348 299.5757 -167.8613 -133.8744 558391.1272 -1.6647 -1.6525 PRESSURE: 56600 111.575 54.647 3.15426 54.6461 -207.119 -14.2045 3.15371 -14.2046 -153.344 GPRESSURE: 56600 120.778 8.4339 8.89096 124.328 -184.613 -56.8725 -49.6874 -63.962 -94.7274 PRESSAVG: 56600 -35.7995 5.19732 6.65496 5.19737 40.3641 -29.9365 6.65493 -29.9365 -3.48044 GPRESSAVG: 56600 -35.2094 7.08877 6.19085 3.04994 39.4661 -27.5858 6.53249 -32.5375 -3.65568 TIMING: 56600 CPU: 168.609, 0.00294309/step Wall: 168.609, 0.00294309/step, 4.04136 hours remaining, 196.949219 MB of memory in use. ENERGY: 56600 748.9756 1962.5554 1949.2917 98.8662 -206220.1360 17888.2035 0.0000 0.0000 34418.6019 -149153.6417 300.5862 -183572.2436 -149063.8509 299.9305 -82.9626 -52.8542 558927.6341 0.3614 0.2004 PRESSURE: 56800 -30.0161 -50.5456 67.866 -50.5459 108.783 -88.2033 67.8658 -88.2048 10.3595 GPRESSURE: 56800 41.4242 -181.596 -71.0483 93.6805 99.2527 -37.6508 107.822 -158.311 50.412 PRESSAVG: 56800 11.5581 -11.9812 0.963682 -11.9812 -45.6141 6.80263 0.963675 6.80269 -6.3853 GPRESSAVG: 56800 11.3123 -11.852 1.48505 -12.0403 -45.1468 6.09395 0.535619 7.19539 -6.30706 TIMING: 56800 CPU: 169.202, 0.00296349/step Wall: 169.202, 0.00296349/step, 4.0692 hours remaining, 196.949219 MB of memory in use. ENERGY: 56800 750.3930 2027.0725 1946.8667 123.2679 -206045.0751 17837.8198 0.0000 0.0000 34244.4443 -149115.2110 299.0652 -183359.6553 -149021.1577 299.1126 29.7088 63.6963 557599.8750 -13.4804 -13.3805 PRESSURE: 57000 -107.703 -25.1194 -58.63 -25.1192 -11.9359 52.2596 -58.6301 52.2594 -66.0974 GPRESSURE: 57000 -44.0129 70.6705 -139.827 -29.0772 -1.71482 69.6141 18.3591 95.9745 -40.4344 PRESSAVG: 57000 29.4587 -32.8889 85.9318 -32.8889 49.2707 6.28234 85.9319 6.28242 8.76937 GPRESSAVG: 57000 28.823 -31.7824 87.439 -33.0582 49.3592 4.66633 84.8553 7.53845 9.0366 TIMING: 57000 CPU: 169.807, 0.00302337/step Wall: 169.807, 0.00302337/step, 4.15126 hours remaining, 196.949219 MB of memory in use. ENERGY: 57000 737.0148 2074.3838 1939.1763 130.3098 -205913.8872 17577.5303 0.0000 0.0000 34236.4761 -149218.9962 298.9957 -183455.4722 -149131.4890 299.1215 -61.9120 -28.7207 558062.8713 29.1663 29.0730 PRESSURE: 57200 -122.911 77.4697 125.718 77.4695 -98.1149 -162.992 125.718 -162.993 -180.386 GPRESSURE: 57200 -123.555 50.0218 80.7543 -31.0513 -38.2821 -119.917 124.782 -128.511 -135.731 PRESSAVG: 57200 11.2254 -32.4843 32.965 -32.4843 -69.801 -33.7986 32.9651 -33.7986 31.15 GPRESSAVG: 57200 10.0734 -32.9224 30.7711 -32.2698 -69.2109 -30.9291 34.7843 -37.2718 32.1089 TIMING: 57200 CPU: 170.406, 0.002994/step Wall: 170.406, 0.002994/step, 4.11076 hours remaining, 196.949219 MB of memory in use. ENERGY: 57200 775.4711 2046.4969 1949.4367 113.0915 -206062.0480 17662.2352 0.0000 0.0000 34517.7582 -148997.5584 301.4522 -183515.3167 -148896.5618 299.5990 -133.8041 -99.1891 557679.9958 -9.1419 -9.0095 PRESSURE: 57400 -229.883 27.911 -19.5614 27.9126 -40.2977 103.891 -19.5616 103.891 -283.748 GPRESSURE: 57400 -198.126 108.707 -54.3003 -4.69779 -11.1319 140.722 56.3873 56.4978 -257.522 PRESSAVG: 57400 11.0132 -23.0378 10.9689 -23.0378 -17.5454 -3.23202 10.9688 -3.23206 46.8026 GPRESSAVG: 57400 12.74 -23.9597 12.5924 -23.6205 -19.0614 -4.49304 12.2832 -0.04724 46.4173 TIMING: 57400 CPU: 171.006, 0.00299999/step Wall: 171.006, 0.00299999/step, 4.11883 hours remaining, 196.949219 MB of memory in use. ENERGY: 57400 745.5088 2071.3860 1935.1872 104.3740 -205931.7500 17621.7279 0.0000 0.0000 34352.0850 -149101.4811 300.0053 -183453.5660 -149006.8632 300.2506 -184.6429 -155.5931 558641.0922 13.4235 13.3653 PRESSURE: 57600 66.053 84.153 57.5395 84.1526 387.297 14.8025 57.5403 14.8018 -100.433 GPRESSURE: 57600 121.254 85.6519 18.6998 31.6652 379.098 -10.5944 68.6374 -13.5153 -49.0449 PRESSAVG: 57600 36.6412 -24.3241 2.37563 -24.3241 60.5846 -33.7096 2.37566 -33.7096 -78.4574 GPRESSAVG: 57600 35.6602 -22.5709 -0.156883 -25.5296 61.7097 -34.6609 -0.298869 -34.2561 -78.7851 TIMING: 57600 CPU: 171.604, 0.00299081/step Wall: 171.604, 0.00299081/step, 4.10604 hours remaining, 196.949219 MB of memory in use. ENERGY: 57600 738.9400 2033.1493 1965.3645 109.5222 -206133.3936 17900.9433 0.0000 0.0000 34109.3096 -149276.1647 297.8851 -183385.4743 -149182.3142 299.2169 117.6390 150.4357 557964.5687 6.2562 6.1949 PRESSURE: 57800 -14.7844 188.263 -130.118 188.263 147.577 -6.04793 -130.117 -6.04831 130.642 GPRESSURE: 57800 -20.1925 129.194 -162.144 187.533 182.15 -102.26 -141.737 -41.9704 196.581 PRESSAVG: 57800 15.5636 39.9528 36.0581 39.9528 -21.2695 -47.9676 36.0582 -47.9676 16.8111 GPRESSAVG: 57800 14.7848 39.2687 36.9839 41.4146 -20.9008 -48.6834 36.1576 -45.2352 17.7579 TIMING: 57800 CPU: 172.201, 0.00298629/step Wall: 172.201, 0.00298629/step, 4.09969 hours remaining, 196.953125 MB of memory in use. ENERGY: 57800 725.2678 2122.4907 1942.0315 111.9920 -206465.2052 17927.6528 0.0000 0.0000 34391.2118 -149244.5587 300.3470 -183635.7705 -149151.4371 299.3648 87.8114 119.5128 555566.8467 3.7017 3.8806 PRESSURE: 58000 -146.367 5.19769 -182.588 5.19904 -47.1553 243.342 -182.589 243.344 11.5036 GPRESSURE: 58000 -88.267 44.0692 -247.07 -29.7863 -16.4089 156.642 -231.215 308.642 12.9534 PRESSAVG: 58000 -6.70479 -1.34191 -8.36623 -1.34191 -22.6851 -22.2135 -8.3662 -22.2133 31.8391 GPRESSAVG: 58000 -5.86732 -1.75199 -9.96425 -2.36785 -23.1356 -21.4308 -7.33681 -24.1837 31.3003 TIMING: 58000 CPU: 172.795, 0.00297176/step Wall: 172.795, 0.00297176/step, 4.07957 hours remaining, 196.953125 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: 58000 775.8235 2060.8915 1919.4258 104.3781 -206076.8769 17703.5942 0.0000 0.0000 34244.0398 -149268.7239 299.0617 -183512.7637 -149170.3280 299.6303 -60.6728 -30.5741 556307.9816 0.8164 0.7658 PRESSURE: 58200 -82.397 42.0804 14.1132 42.0814 -387.329 -127.205 14.1114 -127.204 -107.743 GPRESSURE: 58200 -9.30822 8.53144 4.48101 104.816 -375.362 -154.032 38.335 -149.226 -104.116 PRESSAVG: 58200 -20.6084 -8.9569 -37.6171 -8.95691 -37.4819 3.32452 -37.6171 3.32463 37.4789 GPRESSAVG: 58200 -19.417 -7.58467 -35.0807 -8.4503 -37.3423 1.6044 -36.3732 2.49155 35.423 TIMING: 58200 CPU: 173.385, 0.00294816/step Wall: 173.385, 0.00294816/step, 4.04701 hours remaining, 196.953125 MB of memory in use. ENERGY: 58200 744.8143 2045.3593 1946.4203 114.6979 -205879.3281 17526.7211 0.0000 0.0000 34254.5055 -149246.8096 299.1531 -183501.3151 -149150.9620 299.8701 -192.4898 -162.9288 558404.2096 -6.8705 -7.1121 PRESSURE: 58400 96.6881 -116.048 -63.6845 -116.048 162.617 -71.1526 -63.6843 -71.1517 -226.44 GPRESSURE: 58400 138.182 -147.037 -103.043 -82.6308 225.671 -136.585 139.718 -13.1046 -226.862 PRESSAVG: 58400 -14.3834 -35.212 51.8451 -35.212 -40.049 -47.3355 51.845 -47.3356 31.0976 GPRESSAVG: 58400 -14.8606 -36.8171 50.3883 -33.6626 -39.9034 -44.5057 51.2442 -47.6022 32.0247 TIMING: 58400 CPU: 173.976, 0.00295571/step Wall: 173.976, 0.00295571/step, 4.0572 hours remaining, 196.953125 MB of memory in use. ENERGY: 58400 760.2602 2040.1169 1974.8301 111.8605 -206087.0503 17785.5881 0.0000 0.0000 34258.2040 -149156.1906 299.1854 -183414.3945 -149056.2348 299.5076 10.9548 45.6633 558200.2979 -7.7783 -7.5798 PRESSURE: 58600 -101.329 45.1134 100.991 45.1137 -161.259 -79.1719 100.99 -79.1722 71.0302 GPRESSURE: 58600 -96.8261 2.15687 112.42 30.5465 -132.176 -96.5651 -8.86735 -25.7403 134.212 PRESSAVG: 58600 28.5747 -17.6464 9.22811 -17.6465 -60.2352 11.1634 9.22805 11.1633 42.8098 GPRESSAVG: 58600 27.5958 -16.9652 12.6022 -19.1528 -60.083 9.66124 6.67331 12.6658 43.4773 TIMING: 58600 CPU: 174.57, 0.00296691/step Wall: 174.57, 0.00296691/step, 4.07241 hours remaining, 197.164062 MB of memory in use. ENERGY: 58600 758.2318 2118.2090 1930.3185 100.6427 -206237.6893 17721.2768 0.0000 0.0000 34377.5621 -149231.4484 300.2278 -183609.0105 -149132.4404 298.8943 -63.8526 -31.5967 556562.4999 3.7164 3.6633 PRESSURE: 58800 -3.99009 -46.7169 26.5579 -46.7157 -103.891 43.9586 26.5579 43.9582 8.25384 GPRESSURE: 58800 -7.57437 27.3158 129.734 -140.49 -43.7259 65.9929 22.6812 33.7324 40.9544 PRESSAVG: 58800 -19.1243 1.51231 71.6128 1.51221 -27.1253 33.6308 71.6127 33.6308 125.38 GPRESSAVG: 58800 -18.6679 1.65191 70.0601 0.295976 -26.5891 32.86 73.5256 33.1083 124.553 TIMING: 58800 CPU: 175.167, 0.00298815/step Wall: 175.167, 0.00298815/step, 4.1014 hours remaining, 197.164062 MB of memory in use. ENERGY: 58800 763.9387 2024.7501 1906.2824 104.9943 -205977.1487 17761.3633 0.0000 0.0000 34381.5586 -149034.2613 300.2627 -183415.8199 -148944.1059 300.0616 -33.2092 -3.4486 556109.3035 26.3768 26.4319 PRESSURE: 59000 -112.249 154.808 -96.3857 154.809 102.121 58.4467 -96.3843 58.4484 -103.287 GPRESSURE: 59000 -121.632 165.455 -116.336 180.209 169.171 -4.35582 -57.4541 123.831 -71.3332 PRESSAVG: 59000 6.8977 63.3319 29.8648 63.3319 20.1531 1.15951 29.8648 1.15965 -21.7901 GPRESSAVG: 59000 6.94372 62.9406 29.1966 65.6916 19.7565 2.60705 29.8404 -0.316814 -21.4428 TIMING: 59000 CPU: 175.761, 0.00297063/step Wall: 175.761, 0.00297063/step, 4.07719 hours remaining, 197.167969 MB of memory in use. ENERGY: 59000 730.0521 2074.5523 1933.1805 98.9321 -205875.4855 17688.3206 0.0000 0.0000 34184.0274 -149166.4204 298.5376 -183350.4478 -149070.9296 299.8865 -37.8049 -7.9312 557489.1216 1.7536 1.7525 PRESSURE: 59200 253.998 7.16904 175.479 7.16802 221.37 -84.3797 175.479 -84.3791 120.618 GPRESSURE: 59200 290.776 90.7808 193.443 6.89645 262.792 4.64646 192.653 -98.6154 139.647 PRESSAVG: 59200 37.4465 -36.6479 64.4027 -36.6479 -36.9797 -16.6774 64.4027 -16.6774 30.455 GPRESSAVG: 59200 38.175 -37.2213 65.5692 -37.0914 -36.6573 -17.9932 63.6735 -14.3642 29.9958 TIMING: 59200 CPU: 176.356, 0.0029722/step Wall: 176.356, 0.0029722/step, 4.07917 hours remaining, 197.167969 MB of memory in use. ENERGY: 59200 746.5938 2088.4656 1955.7101 102.8041 -206408.9073 18054.2485 0.0000 0.0000 34374.1560 -149086.9292 300.1981 -183461.0852 -148990.2596 300.1382 198.6620 231.0716 554732.5953 10.3073 10.5045 PRESSURE: 59400 -320.629 -125.304 -49.061 -125.304 13.4707 -152.528 -49.0603 -152.527 -100.783 GPRESSURE: 59400 -262.842 -146.518 22.0709 -124.389 -38.9183 -109.331 -68.5146 -192.1 -4.93831 PRESSAVG: 59400 11.6537 -38.926 64.1388 -38.9261 13.4788 -19.4338 64.1387 -19.4338 -34.6058 GPRESSAVG: 59400 11.9781 -37.3479 62.4025 -38.9718 12.1891 -16.6982 64.3376 -21.2741 -34.113 TIMING: 59400 CPU: 176.953, 0.00298744/step Wall: 176.953, 0.00298744/step, 4.09994 hours remaining, 197.167969 MB of memory in use. ENERGY: 59400 740.1687 2094.3681 1944.5436 110.5738 -206131.1954 17713.7016 0.0000 0.0000 34367.0102 -149160.8294 300.1356 -183527.8396 -149066.7812 300.3904 -135.9803 -102.2330 556417.5487 -3.1577 -3.3152 PRESSURE: 59600 -132.951 -15.5176 34.7799 -15.5163 -199.834 -197.75 34.7788 -197.751 -102.166 GPRESSURE: 59600 -78.056 -0.00485 66.4098 -20.8475 -139.169 -269.804 -2.16562 -118.969 -126.715 PRESSAVG: 59600 -17.4923 32.4585 -52.8188 32.4584 -31.6984 -54.7308 -52.8189 -54.7309 32.5537 GPRESSAVG: 59600 -17.7581 31.6745 -52.6136 33.009 -30.6015 -56.9439 -52.1335 -55.1583 31.6047 TIMING: 59600 CPU: 177.545, 0.00295896/step Wall: 177.545, 0.00295896/step, 4.06068 hours remaining, 197.167969 MB of memory in use. ENERGY: 59600 777.1119 2107.6313 1923.7828 112.3010 -205981.8692 17532.1355 0.0000 0.0000 34305.0638 -149223.8430 299.5947 -183528.9068 -149127.9368 299.7185 -144.9835 -114.6469 555537.4759 -5.5457 -5.5850 PRESSURE: 59800 -303.216 66.6315 -182.328 66.6302 95.5271 -45.7264 -182.329 -45.7252 -437.124 GPRESSURE: 59800 -264.662 48.7038 -235.094 33.2135 71.574 -139.059 -80.414 37.5262 -350.379 PRESSAVG: 59800 29.8921 33.5751 -35.6932 33.5752 -6.5481 10.9632 -35.6932 10.9632 -44.4507 GPRESSAVG: 59800 28.7255 34.5352 -34.1149 32.1108 -7.35308 10.0727 -36.2458 13.1022 -42.6898 TIMING: 59800 CPU: 178.137, 0.00296212/step Wall: 178.137, 0.00296212/step, 4.06485 hours remaining, 197.167969 MB of memory in use. ENERGY: 59800 763.6320 2082.6986 1916.7679 109.5725 -205820.9733 17557.9910 0.0000 0.0000 34322.8476 -149067.4636 299.7500 -183390.3112 -148968.0714 299.7711 -214.9374 -181.1556 556859.5648 -7.0356 -7.1058 PRESSURE: 60000 -179.153 -37.1139 126.437 -37.1123 -207.247 108.783 126.436 108.782 -293.689 GPRESSURE: 60000 -187.302 -71.8667 51.791 -72.1983 -166.505 107.892 39.0058 114.209 -241.129 PRESSAVG: 60000 -3.51865 43.6249 -14.5704 43.625 -5.23682 -51.9737 -14.5705 -51.9737 33.7131 GPRESSAVG: 60000 -3.3134 42.5911 -14.8974 45.9701 -4.95713 -50.0447 -15.9184 -53.6339 33.4828 TIMING: 60000 CPU: 178.732, 0.0029732/step Wall: 178.732, 0.0029732/step, 4.0799 hours remaining, 197.167969 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: 60000 778.7303 2098.1283 1937.6822 108.5932 -205958.4102 17443.3650 0.0000 0.0000 34524.2621 -149067.6491 301.5090 -183591.9113 -148963.1734 300.0776 -226.6963 -198.3119 556397.3294 8.3192 8.4041 PRESSURE: 60200 12.3056 105.214 64.7298 105.214 -69.2406 11.5663 64.7312 11.5649 175.158 GPRESSURE: 60200 33.5363 139.096 62.3395 75.8561 -5.03346 -18.1838 41.2408 45.9283 187.794 PRESSAVG: 60200 19.1777 17.4128 26.5096 17.4128 -74.8889 26.3179 26.5097 26.3179 45.2399 GPRESSAVG: 60200 19.2816 18.7853 25.8429 15.6021 -74.1767 25.9727 27.5916 27.7854 43.9945 TIMING: 60200 CPU: 179.327, 0.00297708/step Wall: 179.327, 0.00297708/step, 4.08505 hours remaining, 197.167969 MB of memory in use. ENERGY: 60200 788.4037 2072.6337 1958.9025 106.8745 -206201.4707 17737.9460 0.0000 0.0000 34241.1701 -149295.5401 299.0367 -183536.7103 -149197.2921 299.8611 39.4076 72.0991 555497.9801 -3.4904 -3.6335 LDB: ============= START OF LOAD BALANCING ============== 182.843 LDB: ============== END OF LOAD BALANCING =============== 182.843 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 182.844 LDB: ============= START OF LOAD BALANCING ============== 183.145 LDB: Largest compute 4773 load 0.029891 is 25.4% of average load 0.117739 LDB: Average compute 0.001728 is 1.5% of average load 0.117739 LDB: TIME 183.147 LOAD: AVG 0.117739 MAX 0.208119 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 199.27 MB LDB: TIME 183.148 LOAD: AVG 0.117739 MAX 0.208119 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.508 MB LDB: TIME 183.148 LOAD: AVG 0.117739 MAX 0.208119 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.508 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 183.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 183.153 PRESSURE: 60400 67.7241 -81.0893 48.059 -81.0885 29.3429 -70.6396 48.059 -70.6413 -76.0208 GPRESSURE: 60400 93.848 -82.7672 104.69 -9.05196 85.8505 -43.9746 87.9089 -45.6648 -65.0247 PRESSAVG: 60400 64.4511 -24.7223 24.7793 -24.7223 -6.2832 80.2098 24.7793 80.2099 -7.74705 GPRESSAVG: 60400 64.9393 -25.9059 24.6126 -23.7658 -7.12295 79.3534 25.1506 78.9766 -7.57102 TIMING: 60400 CPU: 179.937, 0.0030475/step Wall: 179.937, 0.0030475/step, 4.18151 hours remaining, 200.347656 MB of memory in use. ENERGY: 60400 690.0044 2038.1776 1929.9925 121.4968 -205843.2623 17482.4180 0.0000 0.0000 34190.7586 -149390.4142 298.5964 -183581.1728 -149285.6924 299.4064 7.0154 38.2246 554626.7071 16.8070 16.7485 PRESSURE: 60600 -109.767 -17.9444 -268.852 -17.9443 -14.8429 -31.5739 -268.851 -31.5728 -67.6298 GPRESSURE: 60600 -56.5859 54.6379 -224.052 -63.7721 -5.53859 -24.0009 -284.304 -27.4745 -36.1347 PRESSAVG: 60600 20.5169 -63.7348 -17.1952 -63.7348 27.8026 -19.5337 -17.1952 -19.5336 -27.92 GPRESSAVG: 60600 19.6154 -64.5842 -17.6348 -62.5871 28.498 -20.484 -17.1288 -17.6863 -27.7942 TIMING: 60600 CPU: 180.536, 0.00299501/step Wall: 180.536, 0.00299501/step, 4.10932 hours remaining, 200.417969 MB of memory in use. ENERGY: 60600 725.3965 2070.8632 1926.8512 118.4178 -205902.4313 17417.1609 0.0000 0.0000 34420.0356 -149223.7061 300.5987 -183643.7417 -149125.8859 299.1849 -64.0799 -32.7531 556104.3174 6.7998 6.7731 PRESSURE: 60800 -7.19214 -85.3517 -24.2973 -85.3523 -38.4098 -97.7852 -24.2969 -97.7843 201.009 GPRESSURE: 60800 60.9011 -66.3553 10.8832 -107.604 7.0805 -65.8378 30.9351 -90.8423 187.7 PRESSAVG: 60800 4.81379 20.3406 -10.8885 20.3405 -7.53163 -43.5459 -10.8886 -43.5459 11.4878 GPRESSAVG: 60800 5.33766 21.153 -11.8142 20.1531 -7.86848 -43.8942 -9.41811 -43.2071 10.8088 TIMING: 60800 CPU: 181.136, 0.00300143/step Wall: 181.136, 0.00300143/step, 4.11797 hours remaining, 200.417969 MB of memory in use. ENERGY: 60800 746.5050 2052.0676 1945.5239 118.2941 -206139.6832 17731.1691 0.0000 0.0000 34321.6139 -149224.5096 299.7392 -183546.1235 -149122.1225 299.6987 51.8023 85.2271 555143.8067 2.9233 2.7593 PRESSURE: 61000 26.8134 76.4029 60.231 76.4031 192.929 -73.1572 60.2297 -73.1566 42.4759 GPRESSURE: 61000 33.1995 136.524 64.1217 40.6238 232.15 -104.393 95.2731 -52.3481 81.4511 PRESSAVG: 61000 -1.86829 39.9028 25.0027 39.9028 -34.3737 -15.1668 25.0028 -15.1668 32.7429 GPRESSAVG: 61000 -2.50284 39.9449 27.389 39.3679 -33.9543 -14.9487 25.4029 -16.5629 32.8004 TIMING: 61000 CPU: 181.736, 0.00299727/step Wall: 181.736, 0.00299727/step, 4.11208 hours remaining, 200.417969 MB of memory in use. ENERGY: 61000 767.2853 2085.2420 1927.6651 115.5336 -206339.2397 17883.1307 0.0000 0.0000 34522.1137 -149038.2692 301.4902 -183560.3829 -148940.7953 300.1218 87.4060 115.6000 558086.0687 -1.1664 -1.2189 PRESSURE: 61200 -176.386 123.129 -6.84979 123.128 -116.797 -187.578 -6.84806 -187.577 -35.04 GPRESSURE: 61200 -141.371 64.8805 -99.4716 165.192 -91.6406 -177.257 41.3097 -172.662 13.7767 PRESSAVG: 61200 25.548 14.3544 23.2425 14.3544 -31.0225 -18.4026 23.2425 -18.4026 36.1963 GPRESSAVG: 61200 25.3891 13.4656 23.2427 14.0942 -30.4511 -16.2595 20.9118 -19.4854 36.4712 TIMING: 61200 CPU: 182.339, 0.00301733/step Wall: 182.339, 0.00301733/step, 4.13944 hours remaining, 200.621094 MB of memory in use. ENERGY: 61200 756.9720 2113.3929 1922.3754 113.3623 -206138.7693 17861.1343 0.0000 0.0000 34353.4900 -149018.0424 300.0176 -183371.5323 -148916.9347 300.0367 -109.4078 -73.0783 558776.4820 10.2406 10.4697 PRESSURE: 61400 -253.854 78.2394 -172.076 78.2386 4.98555 25.9853 -172.075 25.9835 -17.2815 GPRESSURE: 61400 -239.972 35.5743 -121.267 99.1352 45.7407 28.79 -261.014 94.7384 42.4798 PRESSAVG: 61400 20.6652 -16.6152 0.854503 -16.6152 -38.0344 -15.4921 0.854349 -15.4921 54.1206 GPRESSAVG: 61400 19.5865 -13.6056 0.563765 -18.0346 -37.8027 -18.6417 0.536194 -13.8736 54.9733 TIMING: 61400 CPU: 182.937, 0.00299141/step Wall: 182.937, 0.00299141/step, 4.10372 hours remaining, 200.691406 MB of memory in use. ENERGY: 61400 766.9663 2119.9217 1936.6695 118.2973 -205868.4641 17748.9908 0.0000 0.0000 34166.9735 -149010.6450 298.3887 -183177.6185 -148918.0776 300.1405 -88.7167 -50.5840 557766.0694 12.2505 12.2524 PRESSURE: 61600 -252.306 101.764 -69.8768 101.765 -30.1276 57.9964 -69.8778 57.9981 109.728 GPRESSURE: 61600 -164.122 72.4187 -76.6319 56.0974 -17.4762 45.971 -79.6243 54.0081 103.503 PRESSAVG: 61600 -26.4251 42.5355 -7.65131 42.5355 34.5786 71.1147 -7.65142 71.1147 -34.8899 GPRESSAVG: 61600 -23.6727 41.11 -9.50448 44.8953 33.6742 73.0042 -6.50007 69.2451 -36.7103 TIMING: 61600 CPU: 183.535, 0.00298632/step Wall: 183.535, 0.00298632/step, 4.09657 hours remaining, 200.691406 MB of memory in use. ENERGY: 61600 736.9985 2071.4266 1920.3317 126.6471 -205573.3509 17500.6956 0.0000 0.0000 34211.7440 -149005.5075 298.7797 -183217.2514 -148902.7446 300.3592 -57.5685 -26.0315 556107.1774 -8.9121 -8.9029 PRESSURE: 61800 12.4109 8.43389 -67.6289 8.4339 -22.1387 -67.4792 -67.6294 -67.4786 -201.315 GPRESSURE: 61800 28.397 74.3842 -13.6169 -21.9669 19.882 -111.621 -84.0969 -81.735 -167.885 PRESSAVG: 61800 9.17281 -6.9743 -16.2721 -6.97439 -22.0513 -7.79295 -16.2721 -7.79302 -5.10696 GPRESSAVG: 61800 7.17361 -7.64095 -14.1863 -6.74847 -20.3566 -9.44683 -15.3733 -6.66067 -4.5902 TIMING: 61800 CPU: 184.125, 0.0029523/step Wall: 184.125, 0.0029523/step, 4.04974 hours remaining, 200.691406 MB of memory in use. ENERGY: 61800 699.1049 2099.3270 1944.4777 117.1076 -205832.7608 17581.1979 0.0000 0.0000 34308.7252 -149082.8206 299.6266 -183391.5458 -148990.1497 299.4053 -70.3475 -39.8688 557285.3736 -5.9951 -5.9244 PRESSURE: 62000 122.363 -341.72 95.6754 -341.72 232.504 146.861 95.6743 146.862 -132.717 GPRESSURE: 62000 193.246 -385.197 71.9119 -274.086 290.164 164.116 11.6189 70.6483 -167.23 PRESSAVG: 62000 22.3303 -87.1706 39.9696 -87.1707 17.2863 0.583538 39.9696 0.583555 -6.56749 GPRESSAVG: 62000 23.4535 -86.8476 39.1149 -89.2491 15.8033 3.11227 38.9763 0.477713 -6.59578 TIMING: 62000 CPU: 184.719, 0.00297046/step Wall: 184.719, 0.00297046/step, 4.07448 hours remaining, 200.691406 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: 62000 783.6263 2046.2465 1942.2072 105.0039 -206192.6622 17849.1765 0.0000 0.0000 34499.1975 -148967.2042 301.2901 -183466.4017 -148877.4443 300.2554 74.0502 105.3936 556405.5656 11.0164 10.8870 PRESSURE: 62200 113.251 -54.5401 8.5633 -54.5409 -195.67 132.657 8.56249 132.656 -311.122 GPRESSURE: 62200 165.633 -65.5232 81.4641 -52.7743 -182.735 168.881 -61.3413 77.5492 -278.23 PRESSAVG: 62200 18.7683 -11.111 12.2423 -11.111 -3.23504 22.9356 12.2423 22.9356 7.13892 GPRESSAVG: 62200 18.142 -9.56129 12.9526 -10.0032 -3.83905 22.7919 11.992 24.3893 8.38256 TIMING: 62200 CPU: 185.312, 0.0029645/step Wall: 185.312, 0.0029645/step, 4.06614 hours remaining, 200.691406 MB of memory in use. ENERGY: 62200 767.2150 2089.4967 1992.3665 106.0131 -206069.4635 17542.5763 0.0000 0.0000 34511.1482 -149060.6476 301.3944 -183571.7958 -148965.6499 300.1008 -131.1805 -98.4439 557166.7192 7.5574 7.5618 PRESSURE: 62400 73.7646 94.4284 61.0116 94.4269 31.2838 -215.955 61.011 -215.957 66.5279 GPRESSURE: 62400 151.12 48.174 54.5662 125.803 60.2862 -147.112 86.3279 -191.246 57.5024 PRESSAVG: 62400 -9.27088 2.38661 12.8317 2.3867 -46.0393 9.33227 12.8317 9.33217 67.3818 GPRESSAVG: 62400 -8.48587 1.09114 11.6869 3.15176 -46.3638 8.54986 13.4756 9.43801 67.0482 TIMING: 62400 CPU: 185.909, 0.00298359/step Wall: 185.909, 0.00298359/step, 4.09216 hours remaining, 200.691406 MB of memory in use. ENERGY: 62400 728.6176 2023.0228 1959.8075 111.0069 -205793.2258 17528.8494 0.0000 0.0000 34303.0555 -149138.8661 299.5771 -183441.9216 -149040.5622 299.9109 57.1921 89.6362 555611.3473 4.0239 4.0662 PRESSURE: 62600 54.4285 -81.7255 75.0253 -81.725 67.7475 29.5436 75.0257 29.5434 303.737 GPRESSURE: 62600 69.9419 -222.15 47.5759 -148.794 168.609 -0.4659 36.1271 -18.7355 286.458 PRESSAVG: 62600 16.9448 32.2714 35.3167 32.2715 -14.5507 -33.8923 35.3167 -33.8924 28.4263 GPRESSAVG: 62600 16.9518 31.0139 37.5881 30.2857 -13.7759 -32.6279 34.8448 -37.098 28.0734 TIMING: 62600 CPU: 186.505, 0.00298027/step Wall: 186.505, 0.00298027/step, 4.08744 hours remaining, 200.691406 MB of memory in use. ENERGY: 62600 737.5750 2042.3534 1950.8339 117.7010 -206169.7974 17985.9897 0.0000 0.0000 34185.1313 -149150.2131 298.5473 -183335.3445 -149056.7584 299.4941 141.9709 175.0028 555932.0541 10.2734 10.4164 PRESSURE: 62800 -316.531 -33.8984 224.2 -33.8984 -58.2051 -14.1131 224.2 -14.1119 80.9094 GPRESSURE: 62800 -251.285 -9.50369 194.55 -20.7393 -50.9107 -19.4793 143.755 -31.2363 103.075 PRESSAVG: 62800 -10.0107 56.2567 78.5 56.2568 -11.4406 26.8592 78.4999 26.8592 53.9773 GPRESSAVG: 62800 -9.92665 56.9872 74.7959 56.659 -11.6456 26.2609 80.4342 26.8078 54.1377 TIMING: 62800 CPU: 187.102, 0.00298707/step Wall: 187.102, 0.00298707/step, 4.0966 hours remaining, 200.691406 MB of memory in use. ENERGY: 62800 769.9234 2083.3345 1947.1557 116.4215 -205910.0455 17453.1877 0.0000 0.0000 34351.6572 -149188.3654 300.0016 -183540.0226 -149086.9452 299.6115 -97.9424 -66.3736 557071.4749 10.8420 10.8552 PRESSURE: 63000 -165.478 3.45481 16.9335 3.45609 -59.3119 113.265 16.9347 113.264 156.67 GPRESSURE: 63000 -212.385 -62.1241 -98.4421 25.8759 26.8187 195.512 132.498 54.1442 209.522 PRESSAVG: 63000 -54.2997 24.6339 4.3154 24.6337 21.2864 20.1233 4.31546 20.1232 30.3824 GPRESSAVG: 63000 -54.6904 24.7015 7.0404 25.3956 21.4579 20.6063 3.494 20.1065 30.6856 TIMING: 63000 CPU: 187.699, 0.00298434/step Wall: 187.699, 0.00298434/step, 4.0927 hours remaining, 200.691406 MB of memory in use. ENERGY: 63000 727.1928 2087.0527 1930.1421 104.8239 -206147.0156 17810.5507 0.0000 0.0000 34450.7024 -149036.5512 300.8666 -183487.2535 -148947.6466 299.3307 -22.7065 7.9852 556500.5989 -0.8769 -0.8490 PRESSURE: 63200 -134.519 -17.7659 34.7685 -17.7661 -118.864 -17.6047 34.7692 -17.6048 -56.8824 GPRESSURE: 63200 -150.048 10.3331 104.427 -46.0948 -87.8576 -19.5235 -17.2921 -93.5992 29.9736 PRESSAVG: 63200 -25.1537 47.2975 62.8918 47.2975 12.0608 28.614 62.8917 28.614 4.99151 GPRESSAVG: 63200 -25.277 47.4659 61.9438 48.1184 11.044 28.3389 64.0152 28.6505 5.90072 TIMING: 63200 CPU: 188.299, 0.00299817/step Wall: 188.299, 0.00299817/step, 4.1115 hours remaining, 200.691406 MB of memory in use. ENERGY: 63200 763.1738 2067.4862 1997.5662 119.1410 -205643.4661 17365.6635 0.0000 0.0000 34223.0407 -149107.3948 298.8783 -183330.4354 -149006.9899 299.3384 -103.4218 -69.3108 556254.0691 -2.7005 -2.7774 PRESSURE: 63400 -14.8053 -89.9306 -2.25675 -89.9306 -310.133 42.0825 -2.25616 42.0836 -12.5107 GPRESSURE: 63400 -57.58 -106.269 56.7068 -56.5225 -255.185 72.5006 8.02385 24.2585 59.7253 PRESSAVG: 63400 9.70691 19.2156 12.3046 19.2154 -18.3327 39.6951 12.3045 39.6951 -3.74887 GPRESSAVG: 63400 9.28269 20.7931 11.9689 17.4711 -17.6098 40.4719 12.8049 40.123 -4.30334 TIMING: 63400 CPU: 188.896, 0.00298712/step Wall: 188.896, 0.00298712/step, 4.09618 hours remaining, 200.691406 MB of memory in use. ENERGY: 63400 763.0346 2068.6351 1962.6333 110.0540 -206047.5651 17632.8838 0.0000 0.0000 34448.0899 -149062.2344 300.8437 -183510.3243 -148964.2738 300.0806 -112.4830 -84.3465 557907.2514 -4.1249 -4.2101 PRESSURE: 63600 13.5068 -25.0405 -54.2402 -25.0401 -18.8867 51.4971 -54.2405 51.4983 51.4158 GPRESSURE: 63600 31.5741 -58.1455 -88.7299 23.456 -18.391 -32.7266 -9.25417 26.8212 134.136 PRESSAVG: 63600 -0.22446 -36.4176 -18.328 -36.4175 4.35837 42.0158 -18.328 42.0157 -1.14356 GPRESSAVG: 63600 -0.576904 -38.9612 -18.3961 -35.3608 4.74029 41.0039 -19.2718 42.1296 -0.938216 TIMING: 63600 CPU: 189.492, 0.00297808/step Wall: 189.492, 0.00297808/step, 4.08361 hours remaining, 200.691406 MB of memory in use. ENERGY: 63600 763.0561 2066.4819 1947.3847 98.7001 -206248.1193 17925.0205 0.0000 0.0000 34358.6600 -149088.8160 300.0627 -183447.4760 -148997.6944 299.5065 15.3453 49.1065 556712.0408 0.9968 1.0751 PRESSURE: 63800 -183.866 112.602 -89.1986 112.601 -122.191 122.727 -89.1986 122.729 49.177 GPRESSURE: 63800 -90.4224 108.471 -44.2413 178.377 -160.931 109.205 -142.432 160.856 85.0975 PRESSAVG: 63800 -18.2442 29.0439 22.9046 29.0439 0.0443444 20.8378 22.9045 20.8378 12.2364 GPRESSAVG: 63800 -17.1979 32.2666 25.6738 28.2264 -0.135362 19.9886 21.03 21.7759 11.6441 TIMING: 63800 CPU: 190.089, 0.00298726/step Wall: 190.089, 0.00298726/step, 4.09603 hours remaining, 200.691406 MB of memory in use. ENERGY: 63800 801.2266 2034.8409 1954.7518 111.5180 -205798.1422 17640.8273 0.0000 0.0000 34291.2282 -148963.7493 299.4738 -183254.9774 -148868.6213 299.5324 -85.6266 -55.4188 558502.6166 -1.9878 -1.8964 PRESSURE: 64000 107.059 -80.9315 84.7257 -80.9301 146.865 -57.2751 84.7261 -57.2755 83.2838 GPRESSURE: 64000 159.254 29.9896 89.8463 -84.0111 165.012 -85.571 133.308 -98.1144 98.9781 PRESSAVG: 64000 -30.7037 -48.6385 -3.38503 -48.6385 -14.2072 3.25264 -3.38504 3.25266 4.20814 GPRESSAVG: 64000 -31.7214 -50.6475 -4.8285 -48.4825 -13.8208 3.53163 -1.74759 4.37493 4.80445 TIMING: 64000 CPU: 190.694, 0.00302214/step Wall: 190.694, 0.00302214/step, 4.14369 hours remaining, 200.691406 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: 64000 721.0105 2152.2600 1960.3709 108.5055 -206146.4993 17939.5646 0.0000 0.0000 34427.4990 -148837.2889 300.6639 -183264.7879 -148738.1867 300.3820 112.4028 141.0812 557238.5521 -13.5676 -13.5792 PRESSURE: 64200 139.763 106.718 -36.1036 106.717 -142.088 132.957 -36.1044 132.955 -163.412 GPRESSURE: 64200 170.735 124.402 3.967 25.5438 -98.1888 223.463 0.649295 87.1564 -142.778 PRESSAVG: 64200 -11.9369 -14.5939 41.7222 -14.5939 19.3182 -76.6139 41.7221 -76.6139 -24.5084 GPRESSAVG: 64200 -11.8376 -14.1927 42.51 -15.8287 19.4384 -75.7834 41.2398 -78.9425 -25.3226 TIMING: 64200 CPU: 191.294, 0.00300179/step Wall: 191.294, 0.00300179/step, 4.11562 hours remaining, 200.691406 MB of memory in use. ENERGY: 64200 681.2984 2049.0035 1951.3828 133.6389 -205461.2902 17461.6697 0.0000 0.0000 34315.4588 -148868.8381 299.6854 -183184.2969 -148771.8021 300.5616 -55.2457 -23.4105 559105.0843 -5.7091 -5.9073 LDB: ============= START OF LOAD BALANCING ============== 194.812 LDB: ============== END OF LOAD BALANCING =============== 194.812 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 194.814 LDB: ============= START OF LOAD BALANCING ============== 195.116 LDB: Largest compute 4773 load 0.032422 is 27.5% of average load 0.117780 LDB: Average compute 0.001740 is 1.5% of average load 0.117780 LDB: TIME 195.118 LOAD: AVG 0.11778 MAX 0.205563 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 199.965 MB LDB: TIME 195.119 LOAD: AVG 0.11778 MAX 0.205563 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200.168 MB LDB: TIME 195.119 LOAD: AVG 0.11778 MAX 0.205563 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200.168 MB LDB: ============== END OF LOAD BALANCING =============== 195.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 195.125 PRESSURE: 64400 107.13 -80.9138 130 -80.9133 141.249 26.3452 129.999 26.3451 -12.5615 GPRESSURE: 64400 175.696 -79.7669 159.434 -77.2376 153.945 -87.5605 169.174 52.5678 5.4674 PRESSAVG: 64400 -41.4731 -20.1501 50.7511 -20.1502 66.2405 39.3698 50.7511 39.3699 -29.945 GPRESSAVG: 64400 -39.1705 -20.8763 50.7566 -19.9445 64.6003 37.7554 50.3939 41.4058 -30.4322 TIMING: 64400 CPU: 191.908, 0.00306941/step Wall: 191.908, 0.00306941/step, 4.20816 hours remaining, 198.191406 MB of memory in use. ENERGY: 64400 736.3869 2099.9452 1948.1722 116.6368 -206317.1243 18122.5944 0.0000 0.0000 34358.9712 -148934.4176 300.0654 -183293.3888 -148839.3503 299.8719 78.6059 111.7028 558198.7217 -1.7259 -1.6675 PRESSURE: 64600 183.933 -226.246 108.922 -226.246 -15.5215 -84.3095 108.922 -84.3089 36.4721 GPRESSURE: 64600 223.187 -224.053 91.6167 -147.222 24.946 -183.901 31.6099 -42.7654 53.0561 PRESSAVG: 64600 21.7502 -73.0547 28.3686 -73.0547 -20.313 2.8526 28.3686 2.85269 -2.25613 GPRESSAVG: 64600 20.814 -71.8598 28.0661 -71.9038 -20.0875 2.05571 28.1599 1.95642 -1.54383 TIMING: 64600 CPU: 192.501, 0.00296249/step Wall: 192.501, 0.00296249/step, 4.06141 hours remaining, 198.554688 MB of memory in use. ENERGY: 64600 795.1472 2134.5010 1939.2206 118.4508 -206002.5872 17963.6416 0.0000 0.0000 34211.3159 -148840.3102 298.7759 -183051.6261 -148741.9947 299.6170 68.2947 100.3965 558192.1427 -0.2730 -0.2725 PRESSURE: 64800 107.785 141.691 53.7785 141.69 -86.0779 53.5746 53.7783 53.5747 -244.683 GPRESSURE: 64800 149.063 140.239 60.4328 120.737 -147.63 -7.04783 94.9358 40.1176 -131.65 PRESSAVG: 64800 24.7137 -61.3974 15.7202 -61.3974 22.0864 -2.98841 15.7202 -2.98827 -20.5428 GPRESSAVG: 64800 24.752 -62.6172 15.3439 -62.0351 21.7455 -3.00855 18.0156 -2.01386 -20.7946 TIMING: 64800 CPU: 193.096, 0.00297932/step Wall: 193.096, 0.00297932/step, 4.08431 hours remaining, 198.554688 MB of memory in use. ENERGY: 64800 761.4617 2106.2568 1942.0223 117.4122 -205651.9454 17648.0711 0.0000 0.0000 34393.0573 -148683.6640 300.3631 -183076.7213 -148585.3242 300.3190 -74.3253 -43.4054 558764.9958 8.7524 8.5676 PRESSURE: 65000 -140.685 39.6656 59.325 39.6659 -219.715 -93.5467 59.3231 -93.5455 -194.147 GPRESSURE: 65000 -110.154 38.0221 142.858 54.9575 -243.015 -92.4814 25.9125 -49.5545 -106.554 PRESSAVG: 65000 48.6756 -4.4296 36.0288 -4.42972 -1.7619 -26.9697 36.0288 -26.9697 -14.8698 GPRESSAVG: 65000 47.5935 -2.47244 36.2001 -5.16625 -1.32349 -24.662 33.0137 -28.7107 -14.8001 TIMING: 65000 CPU: 193.692, 0.00297871/step Wall: 193.692, 0.00297871/step, 4.08332 hours remaining, 198.554688 MB of memory in use. ENERGY: 65000 820.0463 2100.8671 1965.9113 112.6246 -205843.2720 17698.0185 0.0000 0.0000 34417.3696 -148728.4346 300.5754 -183145.8042 -148629.6586 300.5028 -184.8490 -153.2408 558332.0024 10.6813 10.4900 PRESSURE: 65200 -73.0584 -157.302 -70.4339 -157.301 225.666 58.2454 -70.4336 58.2444 -12.1426 GPRESSURE: 65200 -56.9365 -112.059 -41.4692 -120.586 272.455 12.4138 -87.8485 82.2341 24.2185 PRESSAVG: 65200 -13.4498 -3.25082 -16.6171 -3.25068 -55.6339 -11.8828 -16.617 -11.8828 13.565 GPRESSAVG: 65200 -12.9586 -5.69234 -14.8625 -0.990047 -55.6555 -12.9337 -14.4216 -12.5396 13.5034 TIMING: 65200 CPU: 194.287, 0.00297291/step Wall: 194.287, 0.00297291/step, 4.07521 hours remaining, 198.554688 MB of memory in use. ENERGY: 65200 768.5263 2114.2182 1924.7810 127.8638 -205656.3022 17723.0032 0.0000 0.0000 34352.5823 -148645.3273 300.0096 -182997.9096 -148553.2541 299.9198 46.8216 79.9124 556766.9124 -18.5062 -18.3702 PRESSURE: 65400 8.73075 66.5029 48.5534 66.5016 -23.0346 34.5072 48.5521 34.5086 218.209 GPRESSURE: 65400 48.7774 -19.7576 96.8839 91.3432 5.24486 42.2751 59.9982 -38.8198 235.993 PRESSAVG: 65400 1.26183 3.98587 -47.8679 3.98584 -28.4427 17.3997 -47.868 17.3997 15.043 GPRESSAVG: 65400 1.56832 3.65405 -51.1856 3.33431 -28.6507 17.4293 -47.163 18.1444 15.1194 TIMING: 65400 CPU: 194.886, 0.00299888/step Wall: 194.886, 0.00299888/step, 4.11063 hours remaining, 198.554688 MB of memory in use. ENERGY: 65400 758.5831 2153.4237 1949.2153 116.6732 -205805.6563 17778.3505 0.0000 0.0000 34289.7583 -148759.6521 299.4610 -183049.4104 -148670.7659 300.1605 67.9683 96.6719 556962.0133 -4.0459 -3.9876 PRESSURE: 65600 -75.0741 13.798 24.8482 13.7973 -13.3432 82.3239 24.8477 82.3239 -351.844 GPRESSURE: 65600 -60.3887 39.3246 -27.4404 -26.9294 19.9601 159.958 19.8183 -7.56438 -314.954 PRESSAVG: 65600 16.5336 45.8407 2.74463 45.8408 -10.6762 33.1938 2.74469 33.1939 36.8558 GPRESSAVG: 65600 15.3547 45.0402 6.06851 46.192 -9.54884 34.0296 0.336044 32.0241 36.5966 TIMING: 65600 CPU: 195.486, 0.00299943/step Wall: 195.486, 0.00299943/step, 4.11122 hours remaining, 198.554688 MB of memory in use. ENERGY: 65600 750.2890 2131.6098 1952.2579 111.1353 -205699.0611 17567.0289 0.0000 0.0000 34223.0984 -148963.6418 298.8788 -183186.7402 -148866.3597 300.4286 -146.7536 -118.4608 559234.1786 14.2377 14.1341 PRESSURE: 65800 -9.16667 -26.1414 35.9482 -26.1411 8.06858 -72.1076 35.9476 -72.1083 -81.2699 GPRESSURE: 65800 34.2446 -21.7886 24.6565 -56.0729 21.6304 20.6819 67.4603 -146.581 -52.1484 PRESSAVG: 65800 32.2383 15.4734 23.0832 15.4734 25.0798 8.81714 23.0831 8.81707 -25.2106 GPRESSAVG: 65800 32.9111 17.1714 18.4876 16.3482 24.7866 7.49062 25.6471 9.84376 -25.4453 TIMING: 65800 CPU: 196.084, 0.00298742/step Wall: 196.084, 0.00298742/step, 4.09459 hours remaining, 198.554688 MB of memory in use. ENERGY: 65800 756.5373 2091.3173 1916.7493 116.9898 -205965.8621 17792.9076 0.0000 0.0000 34338.4814 -148952.8794 299.8865 -183291.3607 -148860.0835 299.6514 -27.4560 1.2422 557621.6011 10.7025 10.7508 PRESSURE: 66000 32.7837 127.076 71.2988 127.076 43.5381 37.5954 71.299 37.5958 -107.673 GPRESSURE: 66000 29.1406 206.243 43.3433 123.133 105.675 -9.60719 -12.7248 46.9316 -74.4814 PRESSAVG: 66000 -32.246 -27.9214 -32.857 -27.9214 21.0466 22.4408 -32.857 22.4407 16.6973 GPRESSAVG: 66000 -32.7842 -26.6505 -29.8384 -29.1221 21.7914 23.4168 -31.6079 20.714 16.0786 TIMING: 66000 CPU: 196.686, 0.00301141/step Wall: 196.686, 0.00301141/step, 4.12731 hours remaining, 198.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 66000 742.0308 2052.3678 1954.7243 116.2351 -205908.3343 17645.6064 0.0000 0.0000 34470.6111 -148926.7587 301.0404 -183397.3698 -148826.1511 300.2926 -10.4504 20.1115 557008.1182 1.8327 1.6953 PRESSURE: 66200 34.0336 -168.16 -58.5231 -168.161 202.965 56.3264 -58.5228 56.3253 -75.4004 GPRESSURE: 66200 72.7518 -187.16 -22.8877 -224.247 248.987 -25.8898 -101.685 76.1968 -69.9408 PRESSAVG: 66200 -15.806 6.68711 49.1165 6.68707 -16.3413 43.1862 49.1165 43.1861 -48.9095 GPRESSAVG: 66200 -15.2795 6.03868 49.1609 7.86818 -17.05 43.0278 46.6005 45.5645 -49.0965 TIMING: 66200 CPU: 197.282, 0.00297976/step Wall: 197.282, 0.00297976/step, 4.08376 hours remaining, 198.554688 MB of memory in use. ENERGY: 66200 748.5403 2083.3315 1964.4130 119.4072 -205834.1881 17849.2512 0.0000 0.0000 34423.0809 -148646.1642 300.6253 -183069.2450 -148552.8907 301.1119 53.8662 83.9328 557168.0991 -27.0189 -27.1420 PRESSURE: 66400 -0.0614357 2.74573 -36.4814 2.74529 -76.7529 -33.9266 -36.4816 -33.9261 -150.296 GPRESSURE: 66400 -7.09799 -30.0785 -8.42618 46.4604 0.347557 -9.56726 -3.09695 -21.4822 -129.314 PRESSAVG: 66400 -10.5002 9.40659 15.3501 9.40656 37.9905 -22.5929 15.3501 -22.5929 6.75933 GPRESSAVG: 66400 -10.5473 8.06176 14.4858 8.71946 38.6729 -21.7889 17.421 -22.4819 6.83271 TIMING: 66400 CPU: 197.881, 0.00299577/step Wall: 197.881, 0.00299577/step, 4.10554 hours remaining, 198.554688 MB of memory in use. ENERGY: 66400 730.9411 2118.2511 1987.1065 107.4809 -205812.4795 17675.6266 0.0000 0.0000 34560.4777 -148632.5956 301.8252 -183193.0733 -148526.2326 301.0044 -75.7034 -45.3548 557786.3528 11.4165 11.6528 PRESSURE: 66600 -193.032 -138.173 -6.77597 -138.173 452.733 -99.9899 -6.77596 -99.9905 7.1524 GPRESSURE: 66600 -181.898 -176.853 41.0367 -83.5961 494.253 -151.124 -34.1765 -89.7949 48.8543 PRESSAVG: 66600 -15.4435 -101.406 1.67868 -101.406 12.9265 42.2115 1.67872 42.2114 25.7069 GPRESSAVG: 66600 -16.3094 -101.422 2.31881 -101.291 12.6282 41.2731 0.937647 44.0853 26.7959 TIMING: 66600 CPU: 198.478, 0.00298377/step Wall: 198.478, 0.00298377/step, 4.08893 hours remaining, 198.554688 MB of memory in use. ENERGY: 66600 744.4991 2070.6634 1957.9677 114.4905 -205729.3814 17730.3873 0.0000 0.0000 34662.2255 -148449.1478 302.7138 -183111.3733 -148355.3638 301.6880 88.9513 120.4032 557067.2940 7.7299 7.7049 PRESSURE: 66800 266.239 -36.0361 -16.0828 -36.0359 -217.806 -52.2032 -16.0822 -52.2038 165.319 GPRESSURE: 66800 302.803 47.2517 -41.033 -45.2717 -180.201 -76.0202 28.9356 -17.4885 188.908 PRESSAVG: 66800 -49.898 -7.87729 7.20459 -7.87728 -11.4622 -47.2885 7.20468 -47.2885 20.7288 GPRESSAVG: 66800 -49.6349 -10.1168 9.2172 -8.01373 -10.2538 -48.1194 7.22219 -48.7306 18.9379 TIMING: 66800 CPU: 199.068, 0.00295027/step Wall: 199.068, 0.00295027/step, 4.04285 hours remaining, 198.554688 MB of memory in use. ENERGY: 66800 741.7067 2090.7261 1959.1420 113.7388 -206028.4081 17938.1177 0.0000 0.0000 34733.6216 -148451.3553 303.3374 -183184.9769 -148350.6251 301.7782 71.2508 103.8366 557859.9799 -13.5438 -13.6503 PRESSURE: 67000 -94.596 136.629 -56.9284 136.628 -88.3586 -31.6081 -56.9276 -31.6065 -73.9416 GPRESSURE: 67000 -61.7934 73.4561 -63.0972 151.782 -65.4719 -13.8179 -19.2264 -36.0957 -37.7905 PRESSAVG: 67000 15.2627 -18.2244 -29.8763 -18.2245 -16.5286 -31.5944 -29.8765 -31.5943 2.40212 GPRESSAVG: 67000 15.4315 -16.5779 -33.1675 -16.8285 -17.1623 -29.4475 -28.3375 -31.8386 2.79001 TIMING: 67000 CPU: 199.658, 0.00295017/step Wall: 199.658, 0.00295017/step, 4.04255 hours remaining, 198.554688 MB of memory in use. ENERGY: 67000 798.6297 2094.5962 1948.1759 115.3817 -205803.7381 17891.8188 0.0000 0.0000 34392.6596 -148562.4762 300.3597 -182955.1358 -148457.0766 301.9587 -85.6320 -55.0186 558859.5040 0.3787 0.3531 PRESSURE: 67200 -240.382 -21.9356 109.624 -21.9361 -129.964 -94.5732 109.622 -94.5731 -147.789 GPRESSURE: 67200 -248.104 -21.3419 1.73209 67.3886 -127.956 -43.1137 156.759 -72.6485 -52.9935 PRESSAVG: 67200 62.8011 35.3988 -26.5045 35.3989 -56.3893 0.289608 -26.5046 0.289673 26.5223 GPRESSAVG: 67200 63.0952 37.7404 -25.9731 35.6556 -56.9677 -2.60001 -28.2338 2.27012 26.6796 TIMING: 67200 CPU: 200.253, 0.00297201/step Wall: 200.253, 0.00297201/step, 4.07232 hours remaining, 198.554688 MB of memory in use. ENERGY: 67200 790.5112 2132.3528 1939.6076 93.7015 -205265.9536 17434.9623 0.0000 0.0000 34265.1471 -148609.6710 299.2461 -182874.8181 -148514.3381 301.3101 -172.7120 -143.0180 558585.4894 10.9780 10.9357 PRESSURE: 67400 49.0557 125.828 10.4101 125.827 -170.37 3.87801 10.4108 3.87767 232.852 GPRESSURE: 67400 86.3596 128.647 101.221 155.282 -187.122 -114.085 22.3741 35.594 304.709 PRESSAVG: 67400 -18.9884 21.1033 -7.94077 21.1032 -95.0783 44.5926 -7.9408 44.5927 88.2621 GPRESSAVG: 67400 -18.3669 20.9542 -7.69638 17.5252 -95.8421 46.6108 -8.81493 43.5734 87.946 TIMING: 67400 CPU: 200.85, 0.00298795/step Wall: 200.85, 0.00298795/step, 4.09399 hours remaining, 198.554688 MB of memory in use. ENERGY: 67400 768.1781 2071.5871 1970.5255 120.9590 -205725.5747 17776.2810 0.0000 0.0000 34387.4310 -148630.6130 300.3140 -183018.0440 -148531.1154 300.6511 37.1794 67.9820 558731.9564 -8.6015 -8.7543 PRESSURE: 67600 -120.925 49.8073 -65.9664 49.8073 -102.104 246.565 -65.9663 246.564 -321.324 GPRESSURE: 67600 -62.5969 67.8351 -87.9159 89.2329 -99.4148 197.082 -18.3003 256.141 -276.606 PRESSAVG: 67600 21.4115 55.0546 18.1916 55.0546 -110.892 49.8712 18.1917 49.8713 73.6923 GPRESSAVG: 67600 21.0555 51.9785 17.3344 57.593 -109.36 49.1388 20.5563 50.1739 72.6556 TIMING: 67600 CPU: 201.452, 0.00300859/step Wall: 201.452, 0.00300858/step, 4.1221 hours remaining, 198.554688 MB of memory in use. ENERGY: 67600 779.1784 2091.3002 1955.1236 120.3843 -205550.1676 17506.5771 0.0000 0.0000 34420.5591 -148677.0449 300.6033 -183097.6040 -148578.9702 300.9023 -181.4507 -146.2060 558315.9630 -5.2626 -5.2163 PRESSURE: 67800 30.3901 6.62852 37.6849 6.6284 257.46 -56.6488 37.6859 -56.6496 67.3632 GPRESSURE: 67800 44.958 -63.655 70.1277 -24.9268 279.818 -42.5479 80.6769 -82.6135 129.643 PRESSAVG: 67800 -31.6602 -10.7987 10.1461 -10.7987 -12.8875 37.5557 10.1461 37.5556 40.2081 GPRESSAVG: 67800 -33.0408 -8.34598 12.1048 -11.6223 -13.2018 39.4195 6.49615 34.4254 42.0902 TIMING: 67800 CPU: 202.057, 0.00302611/step Wall: 202.057, 0.00302611/step, 4.14594 hours remaining, 198.554688 MB of memory in use. ENERGY: 67800 722.3522 2064.6131 1929.8868 106.6171 -205997.5957 17791.9371 0.0000 0.0000 34590.3808 -148791.8086 302.0864 -183382.1894 -148686.4865 301.0394 118.4045 151.4730 556552.7043 -1.4465 -1.3841 PRESSURE: 68000 -78.3303 43.9213 -25.8036 43.9225 -33.6713 -69.7519 -25.8037 -69.7519 -2.26714 GPRESSURE: 68000 -18.5547 -67.9036 -17.514 88.591 -2.88191 -59.0797 -61.3117 -97.8381 10.4221 PRESSAVG: 68000 20.004 34.6856 27.8374 34.6855 -9.96411 14.4279 27.8374 14.4279 -19.0173 GPRESSAVG: 68000 21.6083 32.6331 27.3087 34.0957 -9.90787 12.7309 27.0966 15.3187 -20.4023 TIMING: 68000 CPU: 202.657, 0.00299928/step Wall: 202.657, 0.00299928/step, 4.10901 hours remaining, 198.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 68000 758.0336 2110.2571 1973.5637 110.1517 -205781.7435 17649.3086 0.0000 0.0000 34519.2506 -148661.1783 301.4652 -183180.4288 -148563.7544 300.4306 -38.0896 -3.6715 556877.2234 -2.9925 -2.9006 PRESSURE: 68200 82.3436 65.1298 -18.0435 65.1271 -344.621 -74.6622 -18.0439 -74.6631 -8.51073 GPRESSURE: 68200 136.806 106.234 -6.97702 23.0376 -320.514 -90.7277 35.1873 -18.8022 24.5744 PRESSAVG: 68200 32.1559 30.2988 57.9792 30.2988 -39.8102 1.39186 57.9792 1.39188 15.6926 GPRESSAVG: 68200 30.8721 31.5968 58.4139 31.787 -39.4677 -0.749674 59.5938 3.83249 16.5019 TIMING: 68200 CPU: 203.255, 0.00298883/step Wall: 203.255, 0.00298883/step, 4.09452 hours remaining, 198.554688 MB of memory in use. ENERGY: 68200 759.7069 2100.2209 1956.2367 116.6735 -205851.7246 17655.5013 0.0000 0.0000 34471.2751 -148792.1101 301.0462 -183263.3853 -148685.0238 300.7738 -90.2627 -53.0445 559212.1084 2.6795 2.6354 LDB: ============= START OF LOAD BALANCING ============== 206.77 LDB: ============== END OF LOAD BALANCING =============== 206.771 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 206.772 LDB: ============= START OF LOAD BALANCING ============== 207.071 LDB: Largest compute 4773 load 0.031873 is 27.1% of average load 0.117802 LDB: Average compute 0.001735 is 1.5% of average load 0.117802 LDB: TIME 207.073 LOAD: AVG 0.117802 MAX 0.2087 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 198.703 MB LDB: TIME 207.073 LOAD: AVG 0.117802 MAX 0.2087 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 198.906 MB LDB: TIME 207.073 LOAD: AVG 0.117802 MAX 0.2087 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 198.906 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 207.075 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 207.079 PRESSURE: 68400 48.2078 76.0124 59.9181 76.0117 -49.6204 23.8896 59.9176 23.8898 51.4746 GPRESSURE: 68400 86.7983 93.082 13.1955 -9.91106 -50.6836 108.219 62.2473 -70.2714 100.985 PRESSAVG: 68400 -8.04134 31.4764 59.7978 31.4764 2.14197 62.1442 59.7976 62.1443 18.769 GPRESSAVG: 68400 -7.72778 31.4244 58.4041 30.1842 2.01616 64.0257 62.4342 61.3943 18.7846 TIMING: 68400 CPU: 203.863, 0.0030394/step Wall: 203.863, 0.0030394/step, 4.16363 hours remaining, 199.992188 MB of memory in use. ENERGY: 68400 717.4379 2127.0109 1957.0045 117.4738 -206125.7976 17749.8682 0.0000 0.0000 34526.3954 -148930.6068 301.5276 -183457.0023 -148826.2169 301.0367 16.6874 45.7000 557840.1387 4.2899 4.3577 PRESSURE: 68600 -15.0806 21.7937 -138.382 21.7923 188.006 -74.7688 -138.382 -74.7693 51.6454 GPRESSURE: 68600 39.4806 71.8134 -240.889 -0.941201 215.5 -37.8218 -23.8146 -99.4562 59.6731 PRESSAVG: 68600 -6.48777 -5.27904 -2.37237 -5.27899 70.9329 20.2241 -2.37233 20.224 18.0748 GPRESSAVG: 68600 -6.15344 -5.31202 -1.84771 -6.63903 70.6145 20.0874 -5.08158 19.3134 18.3581 TIMING: 68600 CPU: 204.46, 0.00298777/step Wall: 204.46, 0.00298777/step, 4.09275 hours remaining, 200.062500 MB of memory in use. ENERGY: 68600 742.1892 2083.4626 1947.3247 111.1374 -206110.6005 17958.1783 0.0000 0.0000 34332.0290 -148936.2794 299.8301 -183268.3084 -148838.0825 300.5247 74.8568 104.8846 559376.0807 27.5066 27.6064 PRESSURE: 68800 125.313 -70.0358 63.9761 -70.0371 51.9326 -104.546 63.9752 -104.545 6.23335 GPRESSURE: 68800 134.47 -48.9419 35.487 -133.516 74.9696 -98.7001 15.7921 -79.1402 64.1122 PRESSAVG: 68800 -5.84416 50.871 -22.1435 50.8709 26.7576 -36.205 -22.1435 -36.2049 11.8667 GPRESSAVG: 68800 -5.47735 50.5547 -23.2512 51.6017 26.7643 -35.1427 -19.3607 -35.2434 11.4106 TIMING: 68800 CPU: 205.06, 0.00299961/step Wall: 205.06, 0.00299961/step, 4.1088 hours remaining, 200.062500 MB of memory in use. ENERGY: 68800 740.9626 2114.1638 1963.9013 102.5202 -206211.4658 17993.6211 0.0000 0.0000 34295.2528 -149001.0441 299.5090 -183296.2969 -148901.3286 299.8637 61.1598 91.1838 557298.8131 10.9267 10.8992 PRESSURE: 69000 -365.624 68.7653 -8.79833 68.7654 138.376 -52.3662 -8.79792 -52.3663 49.3813 GPRESSURE: 69000 -219.601 27.9268 -13.8903 82.1672 115.293 -78.0294 6.67142 -56.2841 34.249 PRESSAVG: 69000 -9.16396 -52.3124 -34.2902 -52.3123 45.7005 18.427 -34.2901 18.4269 -3.78943 GPRESSAVG: 69000 -8.62423 -52.4972 -34.4378 -51.8483 45.567 18.3003 -34.4069 16.7314 -3.49728 TIMING: 69000 CPU: 205.663, 0.00301538/step Wall: 205.663, 0.00301538/step, 4.13024 hours remaining, 200.062500 MB of memory in use. ENERGY: 69000 717.9888 2132.5330 1940.4347 100.7973 -205852.8295 17517.7271 0.0000 0.0000 34461.5345 -148981.8141 300.9612 -183443.3486 -148882.8859 300.3057 -59.2890 -23.3532 556633.5286 10.9157 11.1485 PRESSURE: 69200 -3.93938 -106.392 -6.20283 -106.393 229.534 47.443 -6.20338 47.4434 167.817 GPRESSURE: 69200 -24.5438 -152.554 14.8786 -34.4663 269.883 -5.28697 -31.8264 47.5768 246.108 PRESSAVG: 69200 -7.61049 -9.88371 -22.5106 -9.88358 -26.9444 -35.9026 -22.5106 -35.9025 2.38081 GPRESSAVG: 69200 -8.09498 -9.3728 -21.5058 -6.99042 -26.8282 -35.0798 -22.4981 -34.3456 2.77405 TIMING: 69200 CPU: 206.263, 0.00299876/step Wall: 206.263, 0.00299876/step, 4.10731 hours remaining, 200.062500 MB of memory in use. ENERGY: 69200 735.3765 2144.3704 1936.1163 103.3257 -205924.3417 17837.1159 0.0000 0.0000 34378.1093 -148789.9276 300.2326 -183168.0370 -148693.8286 301.0093 131.1373 163.8160 557647.3120 -10.7247 -10.7164 PRESSURE: 69400 -267.721 -184.646 13.3485 -184.645 -36.8948 -151.01 13.348 -151.011 14.9865 GPRESSURE: 69400 -281.366 -103.161 22.5966 -117.269 -20.1745 -162.313 -32.9396 -154.614 102.211 PRESSAVG: 69400 -41.7921 -39.9744 56.2253 -39.9743 13.786 -10.7019 56.2254 -10.702 3.22007 GPRESSAVG: 69400 -41.532 -40.436 57.2696 -41.766 14.2257 -12.5262 54.8588 -11.1573 2.23957 TIMING: 69400 CPU: 206.858, 0.00297722/step Wall: 206.858, 0.00297722/step, 4.07764 hours remaining, 200.062500 MB of memory in use. ENERGY: 69400 753.8288 2135.1810 1977.4154 126.9662 -206011.6923 17723.6020 0.0000 0.0000 34160.6433 -149134.0556 298.3334 -183294.6989 -149041.6893 300.3560 -96.5430 -66.4432 557370.8846 -8.2620 -8.3556 PRESSURE: 69600 -140.473 43.4382 36.2327 43.4362 -81.5785 -123.83 36.2342 -123.83 -6.56623 GPRESSURE: 69600 -112.738 65.622 69.3964 -39.6069 -9.99798 -67.3947 -6.01307 -106.555 -2.47448 PRESSAVG: 69600 -62.0508 5.37199 -11.1127 5.37199 26.5073 -43.7326 -11.1126 -43.7326 73.8439 GPRESSAVG: 69600 -60.9955 4.41187 -10.9269 7.1154 26.3441 -42.0244 -12.1435 -45.826 73.3394 TIMING: 69600 CPU: 207.455, 0.00298214/step Wall: 207.455, 0.00298214/step, 4.08421 hours remaining, 200.062500 MB of memory in use. ENERGY: 69600 717.0663 2147.7969 1951.9588 117.3390 -205973.8790 17608.9045 0.0000 0.0000 34289.8564 -149140.9571 299.4618 -183430.8134 -149045.0352 300.0305 -76.2060 -41.7367 556943.9837 12.7668 12.8960 PRESSURE: 69800 -151.32 81.5623 -54.1489 81.5615 -189.189 50.0534 -54.1488 50.0532 -251.795 GPRESSURE: 69800 -102.399 37.0844 -133.004 57.7965 -199.349 100.804 -55.3031 -22.9495 -206.59 PRESSAVG: 69800 30.2671 -9.2255 -32.5069 -9.22545 -8.9241 2.3665 -32.507 2.36649 -12.1705 GPRESSAVG: 69800 29.2837 -7.52042 -33.2012 -12.9901 -8.67502 1.91811 -30.3927 4.76624 -10.9076 TIMING: 69800 CPU: 208.049, 0.00297327/step Wall: 208.049, 0.00297327/step, 4.0719 hours remaining, 200.062500 MB of memory in use. ENERGY: 69800 766.8493 2122.2477 1936.3338 123.4580 -205818.5383 17417.9528 0.0000 0.0000 34229.1017 -149222.5950 298.9313 -183451.6967 -149130.2077 299.2503 -197.4346 -169.4461 557562.0326 3.0575 3.2337 PRESSURE: 70000 144.84 -62.3009 95.9958 -62.3 -34.1433 -163.156 95.9972 -163.157 1.34873 GPRESSURE: 70000 145.897 -74.8769 51.0901 -20.3142 30.0216 -210.955 112.36 -129.422 28.5284 PRESSAVG: 70000 -12.0656 -11.9897 -7.76348 -11.9898 3.89385 64.4394 -7.76351 64.4395 48.8442 GPRESSAVG: 70000 -12.0287 -12.569 -8.40436 -11.6991 3.78686 62.6372 -7.85196 66.2458 47.9937 TIMING: 70000 CPU: 208.65, 0.00300144/step Wall: 208.65, 0.00300144/step, 4.11031 hours remaining, 200.062500 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: 70000 772.8171 2080.6198 1956.9465 104.3480 -206113.5185 17928.0224 0.0000 0.0000 34067.4238 -149203.3409 297.5193 -183270.7647 -149102.5419 299.6739 37.3486 68.1490 555890.7290 13.5575 13.2506 PRESSURE: 70200 -67.4656 -93.6544 -149.768 -93.6544 37.9936 41.9513 -149.769 41.9511 -22.5462 GPRESSURE: 70200 35.1297 -150.292 -31.8735 0.544245 -0.457526 59.5655 -165.629 -39.6176 9.92301 PRESSAVG: 70200 -23.6778 30.363 9.89285 30.363 -10.1108 -13.274 9.89285 -13.2741 25.2976 GPRESSAVG: 70200 -23.775 29.6118 10.6896 29.4712 -10.7199 -12.2887 10.8585 -15.9081 25.9682 TIMING: 70200 CPU: 209.248, 0.00299218/step Wall: 209.248, 0.00299218/step, 4.09746 hours remaining, 200.062500 MB of memory in use. ENERGY: 70200 703.1911 2048.1232 1967.2873 116.6661 -206299.3774 17775.9831 0.0000 0.0000 34323.6165 -149364.5101 299.7567 -183688.1267 -149270.7308 299.5283 -17.3394 14.8651 556214.1931 -2.8303 -2.8422 PRESSURE: 70400 75.4794 229.292 5.01942 229.293 -229.059 -129.326 5.01997 -129.327 18.5347 GPRESSURE: 70400 73.9252 269.026 91.5914 229.24 -179.112 -131.729 15.4988 -143.51 61.6626 PRESSAVG: 70400 -39.8656 46.5196 -0.562542 46.5195 53.4545 -84.5713 -0.562562 -84.5714 -5.02199 GPRESSAVG: 70400 -41.0408 46.4732 -1.65766 50.3179 53.7727 -85.2386 -1.03473 -84.1253 -3.65293 TIMING: 70400 CPU: 209.844, 0.00297917/step Wall: 209.844, 0.00297917/step, 4.07947 hours remaining, 200.062500 MB of memory in use. ENERGY: 70400 738.4047 2094.4527 1935.6030 105.7724 -206175.5509 17675.6380 0.0000 0.0000 34323.6242 -149302.0559 299.7567 -183625.6801 -149201.8881 299.3728 -45.0150 -14.5081 556154.0277 2.8556 3.0263 PRESSURE: 70600 202.616 0.0768486 154.989 0.0761165 -43.1168 83.4714 154.99 83.4736 -103.475 GPRESSURE: 70600 221.673 -28.3353 141.902 -20.914 45.1225 177.08 156.038 65.7056 -98.2349 PRESSAVG: 70600 55.1005 66.7814 -4.89866 66.7813 13.8756 -20.0311 -4.89873 -20.031 -33.406 GPRESSAVG: 70600 57.4588 65.471 -4.41516 65.0084 13.0912 -19.8311 -6.63449 -21.167 -34.4904 TIMING: 70600 CPU: 210.448, 0.00301815/step Wall: 210.448, 0.00301815/step, 4.13269 hours remaining, 200.062500 MB of memory in use. ENERGY: 70600 705.1838 2088.5334 1954.4574 121.5707 -206115.3514 17800.5878 0.0000 0.0000 34217.9561 -149227.0623 298.8339 -183445.0184 -149139.4991 299.3990 18.6749 56.1868 555631.2584 11.8567 12.0199 PRESSURE: 70800 -67.3801 -22.4668 -73.3252 -22.4661 233.276 102.559 -73.3241 102.56 198.607 GPRESSURE: 70800 -19.4461 -32.2508 -127.32 -44.1633 303.801 123.002 -23.0252 143.304 173.262 PRESSAVG: 70800 -37.3418 -34.5526 12.5962 -34.5525 37.1793 13.6525 12.5962 13.6525 1.1372 GPRESSAVG: 70800 -37.7819 -33.3097 12.3737 -33.2305 37.9474 14.4213 13.8879 15.2821 1.37676 TIMING: 70800 CPU: 211.05, 0.00301201/step Wall: 211.05, 0.00301201/step, 4.12411 hours remaining, 200.062500 MB of memory in use. ENERGY: 70800 754.3250 2069.3877 1962.8788 114.5132 -206251.3639 17921.6057 0.0000 0.0000 34217.3987 -149211.2548 298.8291 -183428.6536 -149111.6986 298.9016 121.5011 152.5391 554954.5700 0.3249 0.5141 PRESSURE: 71000 -127.789 -142.497 15.1768 -142.496 137.873 43.3771 15.1778 43.3774 122.071 GPRESSURE: 71000 -97.829 -164.881 52.5896 -93.3554 107.95 61.5008 -31.3211 -31.8785 216.637 PRESSAVG: 71000 18.1693 18.4504 43.523 18.4505 38.9792 20.8228 43.523 20.8228 -30.0558 GPRESSAVG: 71000 17.4332 20.0066 45.1768 17.121 39.063 19.3108 42.3537 20.133 -29.5936 TIMING: 71000 CPU: 211.651, 0.00300484/step Wall: 211.651, 0.00300484/step, 4.11412 hours remaining, 200.062500 MB of memory in use. ENERGY: 71000 747.7446 2090.6024 1956.3944 94.9347 -206012.1083 17826.2669 0.0000 0.0000 34123.5104 -149172.6548 298.0091 -183296.1653 -149085.7498 299.3710 44.0518 75.5858 557728.9721 9.0309 8.9675 PRESSURE: 71200 77.3778 -7.64895 74.5637 -7.65051 23.7387 -64.5624 74.5643 -64.5635 214.247 GPRESSURE: 71200 82.9084 70.3393 39.697 -27.7827 124.62 -52.685 99.488 -28.4067 216.332 PRESSAVG: 71200 -30.9127 -17.5171 28.5277 -17.517 3.48224 -9.13151 28.5277 -9.13141 40.3256 GPRESSAVG: 71200 -29.9103 -17.2183 27.8847 -18.4475 3.52527 -6.7365 29.0479 -9.78307 40.2642 TIMING: 71200 CPU: 212.255, 0.00302062/step Wall: 212.255, 0.00302062/step, 4.13557 hours remaining, 200.062500 MB of memory in use. ENERGY: 71200 716.1899 2125.3691 1937.3568 108.8044 -205871.6508 17726.3602 0.0000 0.0000 34062.3679 -149195.2026 297.4751 -183257.5705 -149101.2985 299.6223 105.1211 141.2867 556269.7872 4.2984 4.6264 PRESSURE: 71400 57.5218 -269.608 -65.22 -269.608 8.50338 154.522 -65.218 154.522 -287.8 GPRESSURE: 71400 74.4252 -263.347 -6.44184 -257.942 22.288 119.44 -81.9401 190.794 -231.435 PRESSAVG: 71400 -36.1067 13.5767 36.8876 13.5767 -37.7305 -13.0755 36.8875 -13.0756 79.9415 GPRESSAVG: 71400 -36.2564 12.9745 36.4566 14.5543 -38.5117 -14.8324 38.9397 -12.3106 80.4859 TIMING: 71400 CPU: 212.858, 0.00301568/step Wall: 212.858, 0.00301568/step, 4.12864 hours remaining, 200.062500 MB of memory in use. ENERGY: 71400 760.4762 2101.1045 1986.7858 111.9543 -206220.8247 17620.3142 0.0000 0.0000 34427.1606 -149213.0291 300.6610 -183640.1897 -149116.7501 299.6982 -73.9248 -44.9072 556644.7030 2.0347 1.9059 PRESSURE: 71600 210.98 -1.80835 63.0263 -1.80783 46.9505 91.8037 63.0256 91.8046 44.182 GPRESSURE: 71600 221.512 1.03208 -6.274 -43.5981 88.7018 174.405 125.516 58.4413 83.744 PRESSAVG: 71600 53.6322 -3.80202 11.166 -3.80201 -71.3788 46.1896 11.1659 46.1896 23.7169 GPRESSAVG: 71600 52.3284 -3.79328 11.3691 -4.85507 -70.3564 46.2924 9.87484 47.3235 23.0825 TIMING: 71600 CPU: 213.462, 0.00302003/step Wall: 213.462, 0.00302003/step, 4.13442 hours remaining, 200.062500 MB of memory in use. ENERGY: 71600 724.5475 2049.7490 1966.8957 109.1982 -206626.4072 17981.3455 0.0000 0.0000 34181.7768 -149612.8945 298.5180 -183794.6713 -149518.2978 298.2675 100.7042 131.3191 555507.2773 1.9901 1.6849 PRESSURE: 71800 -194.697 22.7987 -5.88008 22.7998 115.13 -64.0773 -5.88043 -64.0762 -365.39 GPRESSURE: 71800 -158.531 10.4041 -84.0023 -11.0304 169.865 -53.0601 -2.16745 -78.7332 -364.606 PRESSAVG: 71800 27.7372 -10.7927 -11.6636 -10.7926 28.5666 49.8881 -11.6636 49.888 -45.6008 GPRESSAVG: 71800 28.5337 -11.1374 -13.2921 -10.9402 28.1419 51.5934 -10.7466 49.2427 -45.7888 TIMING: 71800 CPU: 214.061, 0.0029947/step Wall: 214.061, 0.0029947/step, 4.09957 hours remaining, 200.062500 MB of memory in use. ENERGY: 71800 746.4182 2112.4429 1970.9889 125.0038 -206296.0890 17669.6717 0.0000 0.0000 34147.3233 -149524.2402 298.2171 -183671.5635 -149419.2419 298.1948 -148.3190 -117.7574 557826.4139 3.5677 3.6289 PRESSURE: 72000 -139.913 -91.3114 35.9642 -91.3123 -290.066 -4.27343 35.9645 -4.2734 199.226 GPRESSURE: 72000 -112.574 -66.4728 40.9052 -83.9543 -252.358 -1.18533 99.7141 -70.1259 242.12 PRESSAVG: 72000 -0.56078 -36.2969 13.4431 -36.2968 20.916 -20.8634 13.4431 -20.8634 -32.7308 GPRESSAVG: 72000 1.02555 -35.7133 16.4998 -37.1679 20.0041 -21.0992 11.647 -21.2033 -33.4315 TIMING: 72000 CPU: 214.658, 0.00298661/step Wall: 214.658, 0.00298661/step, 4.08834 hours remaining, 200.062500 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: 72000 745.9958 2113.1530 1946.3423 108.5114 -206207.3736 17732.5940 0.0000 0.0000 34084.4934 -149476.2837 297.6684 -183560.7771 -149375.9416 297.8801 -76.9176 -40.9372 557546.1158 -4.1252 -4.1340 PRESSURE: 72200 106.006 -62.253 39.2631 -62.2531 273.784 -121.845 39.2623 -121.845 -246.919 GPRESSURE: 72200 100.246 -123.857 51.4281 -16.2802 284.441 -104.335 -14.8551 -166.835 -141.285 PRESSAVG: 72200 28.6085 -53.4518 -17.7397 -53.4518 -13.4761 -0.656912 -17.7398 -0.656911 -37.4035 GPRESSAVG: 72200 26.9801 -55.7326 -19.5095 -51.219 -13.0418 -1.71111 -19.4675 0.0302605 -36.8883 TIMING: 72200 CPU: 215.254, 0.00297747/step Wall: 215.254, 0.00297747/step, 4.07566 hours remaining, 200.062500 MB of memory in use. ENERGY: 72200 749.5459 2093.4342 1976.9686 113.4562 -206448.3833 17852.5034 0.0000 0.0000 34222.5843 -149439.8907 298.8743 -183662.4750 -149335.7632 298.9642 44.2906 81.1342 555540.0251 -7.4237 -7.6500 LDB: ============= START OF LOAD BALANCING ============== 218.767 LDB: ============== END OF LOAD BALANCING =============== 218.767 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 218.769 LDB: ============= START OF LOAD BALANCING ============== 219.068 LDB: Largest compute 4773 load 0.031637 is 26.9% of average load 0.117799 LDB: Average compute 0.001730 is 1.5% of average load 0.117799 LDB: TIME 219.07 LOAD: AVG 0.117799 MAX 0.208086 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 198.961 MB LDB: TIME 219.07 LOAD: AVG 0.117799 MAX 0.208086 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.164 MB LDB: TIME 219.07 LOAD: AVG 0.117799 MAX 0.208086 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.164 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 219.072 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 219.076 PRESSURE: 72400 -144.672 60.3223 41.4827 60.322 13.2066 -61.4749 41.4827 -61.4738 4.22577 GPRESSURE: 72400 -84.9539 15.175 158.497 105.496 66.8089 18.6234 -25.752 -164.132 -5.14204 PRESSAVG: 72400 -52.8558 -49.0607 29.3925 -49.0607 60.9438 -27.1835 29.3925 -27.1835 -16.0066 GPRESSAVG: 72400 -52.7523 -46.6393 30.522 -48.8844 61.688 -26.6132 31.0534 -26.1924 -16.8953 TIMING: 72400 CPU: 215.86, 0.00302952/step Wall: 215.86, 0.00302952/step, 4.14674 hours remaining, 199.152344 MB of memory in use. ENERGY: 72400 776.1643 2056.0382 1952.1154 101.7942 -206502.9799 17843.1796 0.0000 0.0000 34332.8870 -149440.8013 299.8376 -183773.6882 -149353.5113 298.6304 -42.4131 -7.7623 556802.9544 -2.6395 -2.6532 PRESSURE: 72600 -121.526 88.4349 -60.9288 88.4347 -27.6138 -37.7005 -60.9298 -37.7011 -200.107 GPRESSURE: 72600 -78.817 68.943 110.194 95.0003 -76.5074 -36.9568 -174.306 -47.5606 -97.4207 PRESSAVG: 72600 -3.43102 -3.16819 -15.5146 -3.16824 0.417892 0.775861 -15.5147 0.775776 -39.1971 GPRESSAVG: 72600 -4.20144 -3.76015 -15.1547 -3.0127 0.265975 1.7686 -16.1739 1.14812 -38.8555 TIMING: 72600 CPU: 216.458, 0.00299323/step Wall: 216.458, 0.00299323/step, 4.0969 hours remaining, 199.402344 MB of memory in use. ENERGY: 72600 768.9047 2112.3807 1922.5434 113.0303 -206222.9135 17706.7234 0.0000 0.0000 33994.6444 -149604.6866 296.8837 -183599.3310 -149508.5213 298.6889 -116.4156 -84.2484 556630.6786 -14.0701 -14.2637 PRESSURE: 72800 -268.844 36.858 -39.218 36.8578 -338.984 -177.979 -39.2186 -177.979 -78.8086 GPRESSURE: 72800 -177.172 22.9276 12.5189 129.958 -338.849 -46.1225 -28.3415 -259.004 -66.2511 PRESSAVG: 72800 1.71286 -32.5892 -20.6211 -32.5893 -67.8283 8.71918 -20.6212 8.71921 17.943 GPRESSAVG: 72800 1.9457 -33.5136 -21.4288 -32.692 -67.783 9.85047 -20.2718 7.3215 17.8945 TIMING: 72800 CPU: 217.054, 0.00297916/step Wall: 217.054, 0.00297916/step, 4.07748 hours remaining, 199.402344 MB of memory in use. ENERGY: 72800 746.6134 2098.7080 1954.4073 119.4020 -206095.9182 17426.4774 0.0000 0.0000 34052.8521 -149697.4581 297.3920 -183750.3101 -149600.7624 298.4209 -228.8789 -194.0906 557131.8016 -16.0575 -15.9809 PRESSURE: 73000 -36.7414 233.53 -69.482 233.529 -85.5434 146.343 -69.4815 146.344 -77.5775 GPRESSURE: 73000 29.068 245.203 -61.0369 236.071 -64.5039 93.2583 -26.9755 99.5647 -56.9716 PRESSAVG: 73000 32.2057 80.415 -42.3703 80.415 -18.2301 -7.68439 -42.3703 -7.68429 -17.1728 GPRESSAVG: 73000 32.51 82.9247 -44.6407 79.9743 -19.9903 -9.07212 -42.0638 -6.76208 -15.9484 TIMING: 73000 CPU: 217.653, 0.00299216/step Wall: 217.653, 0.00299216/step, 4.09511 hours remaining, 199.402344 MB of memory in use. ENERGY: 73000 741.2382 1997.4547 1942.1833 120.3553 -206562.4007 17838.2360 0.0000 0.0000 34117.7794 -149805.1537 297.9591 -183922.9331 -149708.5692 297.7700 -66.6208 -30.8025 557559.9705 -1.0657 -1.1429 PRESSURE: 73200 -234.026 36.9781 1.98108 36.9795 -508.746 30.5099 1.98085 30.51 -295.446 GPRESSURE: 73200 -209.386 147.337 -89.1995 -22.2209 -458.343 35.7711 36.7703 -1.2994 -278.749 PRESSAVG: 73200 38.076 40.8964 -35.814 40.8965 -3.17491 0.681667 -35.8141 0.681641 -30.8776 GPRESSAVG: 73200 37.8336 40.2109 -33.6891 40.5471 -1.4426 -0.231568 -37.1327 0.738467 -31.6593 TIMING: 73200 CPU: 218.25, 0.00298744/step Wall: 218.25, 0.00298744/step, 4.08847 hours remaining, 199.402344 MB of memory in use. ENERGY: 73200 734.6847 2035.8078 1948.1294 114.9745 -205939.7039 17447.1138 0.0000 0.0000 33952.5189 -149706.4747 296.5158 -183658.9936 -149610.7399 297.8033 -346.0725 -315.4928 558558.1919 1.3412 1.5772 PRESSURE: 73400 -82.4708 207.268 -36.7937 207.267 -91.8923 28.7787 -36.794 28.7795 -89.3776 GPRESSURE: 73400 -49.1437 269.449 -109.671 165.225 -80.7184 -0.0528564 -47.5069 19.4685 -36.7856 PRESSAVG: 73400 -22.8503 70.3558 41.8538 70.3559 -6.0022 -42.7091 41.8538 -42.7091 -7.15123 GPRESSAVG: 73400 -21.2206 70.7018 41.2928 70.1843 -6.97244 -43.4992 41.9689 -42.7385 -8.025 TIMING: 73400 CPU: 218.843, 0.0029653/step Wall: 218.843, 0.0029653/step, 4.05802 hours remaining, 199.402344 MB of memory in use. ENERGY: 73400 714.4636 2070.2893 1961.4337 108.5232 -206685.9099 17897.2727 0.0000 0.0000 34218.5138 -149715.4136 298.8388 -183933.9274 -149616.2549 297.7760 -87.9136 -55.5492 557796.3834 -12.0012 -12.0727 PRESSURE: 73600 10.429 -195.822 187.807 -195.822 -114.124 63.1153 187.807 63.1147 134.117 GPRESSURE: 73600 45.5987 -78.1637 234.636 -287.129 -97.8503 0.000247519 192.738 6.93774 178.15 PRESSAVG: 73600 -2.20902 46.915 36.3179 46.9151 15.2706 -24.0941 36.3179 -24.0941 8.66031 GPRESSAVG: 73600 -2.34144 47.2422 34.1419 45.4169 15.1388 -23.28 37.8153 -24.4529 8.75777 TIMING: 73600 CPU: 219.442, 0.00299578/step Wall: 219.442, 0.00299578/step, 4.09955 hours remaining, 199.402344 MB of memory in use. ENERGY: 73600 742.3001 2094.7852 1963.8326 108.9767 -206641.9979 17969.6470 0.0000 0.0000 34052.6230 -149709.8332 297.3900 -183762.4562 -149624.0809 298.6788 10.1406 41.9660 557402.1963 7.2406 7.1850 PRESSURE: 73800 -143.578 10.5368 -10.5703 10.5364 -135.599 -3.32512 -10.5695 -3.32498 -14.4322 GPRESSURE: 73800 -132.391 -7.88761 -107.876 66.1726 -83.1415 12.2086 23.3049 -8.31529 17.9484 PRESSAVG: 73800 7.00054 28.5283 -0.431249 28.5284 -51.5267 -4.08753 -0.431144 -4.08751 41.8612 GPRESSAVG: 73800 5.14638 26.1577 1.77509 31.0974 -50.2975 -3.22914 -1.32092 -3.43043 41.8754 TIMING: 73800 CPU: 220.037, 0.00297436/step Wall: 220.037, 0.00297436/step, 4.07008 hours remaining, 199.402344 MB of memory in use. ENERGY: 73800 755.8162 2026.8465 1977.6189 114.2674 -206417.8129 17791.9936 0.0000 0.0000 33997.3905 -149753.8799 296.9077 -183751.2704 -149660.7696 298.3939 -97.8697 -65.8614 557369.1901 -0.8883 -1.0919 PRESSURE: 74000 40.5455 -178.58 62.1665 -178.581 -15.9999 142.784 62.1666 142.785 -138.029 GPRESSURE: 74000 104.68 -147.071 94.948 -178.423 -1.57431 99.2927 27.6464 204.319 -117.548 PRESSAVG: 74000 24.7091 7.75007 3.38789 7.75002 -8.60562 -54.961 3.38776 -54.9612 5.41427 GPRESSAVG: 74000 24.4474 8.12948 3.77458 7.016 -8.08585 -54.5389 3.50335 -55.7248 5.9352 TIMING: 74000 CPU: 220.634, 0.00298143/step Wall: 220.634, 0.00298143/step, 4.07959 hours remaining, 199.402344 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: 74000 737.7163 2046.1865 1950.4610 133.3744 -206165.2771 17748.5201 0.0000 0.0000 34001.9430 -149547.0758 296.9474 -183549.0188 -149454.4540 298.0602 -37.8278 -4.8141 558855.5213 7.1726 7.4323 PRESSURE: 74200 -54.0703 -5.725 38.8587 -5.72581 -47.2703 -101.665 38.858 -101.666 91.5149 GPRESSURE: 74200 -16.439 -22.6488 -21.1153 78.9182 -35.7308 -150.522 92.3411 -92.595 132.471 PRESSAVG: 74200 34.5644 -16.1549 2.98564 -16.1549 23.0292 -10.3684 2.98563 -10.3684 -3.56369 GPRESSAVG: 74200 35.0508 -15.9275 4.49565 -13.7671 21.9998 -10.9968 1.35358 -9.96158 -3.62522 TIMING: 74200 CPU: 221.234, 0.00300234/step Wall: 221.234, 0.00300234/step, 4.10803 hours remaining, 199.402344 MB of memory in use. ENERGY: 74200 745.3906 2093.2856 1921.6557 117.4658 -206368.8698 17849.7439 0.0000 0.0000 34125.3578 -149515.9705 298.0252 -183641.3283 -149419.6057 298.0729 -3.2752 26.7671 558159.3197 18.0100 17.8084 PRESSURE: 74400 2.42663 -22.208 177.37 -22.2082 9.00126 -120.705 177.37 -120.705 107.579 GPRESSURE: 74400 92.5096 -15.7645 224.352 -11.3563 3.6044 -126.811 190.526 -71.6016 108.256 PRESSAVG: 74400 -40.7278 -14.5156 -27.607 -14.5156 40.2703 10.63 -27.607 10.6299 -20.063 GPRESSAVG: 74400 -39.9758 -14.1649 -27.3128 -17.6382 40.437 11.3746 -26.0095 12.1351 -20.9676 TIMING: 74400 CPU: 221.831, 0.00298403/step Wall: 221.831, 0.00298403/step, 4.08281 hours remaining, 199.402344 MB of memory in use. ENERGY: 74400 705.4899 2115.6314 1928.7946 104.0631 -206463.5993 17947.1725 0.0000 0.0000 34118.9623 -149543.4855 297.9694 -183662.4478 -149447.4247 298.3506 39.6689 68.1234 558912.2231 -6.8402 -6.8355 PRESSURE: 74600 107.513 245.355 173.904 245.356 255.969 -91.155 173.904 -91.1545 -79.2234 GPRESSURE: 74600 133.837 179.077 108.359 271.668 299.365 -33.5157 136.73 -98.9412 -52.6618 PRESSAVG: 74600 -2.30551 -9.17299 36.7075 -9.17309 35.3114 -13.1415 36.7075 -13.1415 -13.0194 GPRESSAVG: 74600 -2.45622 -10.833 33.5987 -7.6602 35.0987 -13.8238 37.6304 -14.149 -11.9884 TIMING: 74600 CPU: 222.435, 0.00301878/step Wall: 222.435, 0.00301878/step, 4.13019 hours remaining, 199.402344 MB of memory in use. ENERGY: 74600 753.9686 2066.7543 1918.4121 111.8379 -206705.4530 18126.6802 0.0000 0.0000 34095.0857 -149632.7141 297.7609 -183727.7998 -149539.4892 298.6616 94.7526 126.8469 557090.6901 6.6622 6.8847 PRESSURE: 74800 -111.296 4.30785 -132.592 4.30785 -212.354 49.7481 -132.591 49.7479 38.5598 GPRESSURE: 74800 -91.2452 40.41 -199.527 -31.7087 -115.407 1.52664 -74.3936 52.5883 28.6996 PRESSAVG: 74800 -47.006 28.2139 4.7314 28.2139 65.025 -45.7619 4.73145 -45.7619 -68.8405 GPRESSAVG: 74800 -46.7456 30.9559 5.70489 25.0867 67.026 -43.3395 4.81337 -47.3093 -70.7164 TIMING: 74800 CPU: 223.024, 0.00294901/step Wall: 223.024, 0.00294901/step, 4.03457 hours remaining, 199.402344 MB of memory in use. ENERGY: 74800 740.2127 2083.1758 1941.9449 103.4281 -206524.4442 17800.8586 0.0000 0.0000 34234.2239 -149620.6002 298.9760 -183854.8242 -149514.7486 298.0013 -95.0300 -59.3175 557165.1308 -16.9405 -16.8120 PRESSURE: 75000 139.096 262.788 -270.5 262.788 102.192 -115.328 -270.499 -115.329 -21.5657 GPRESSURE: 75000 94.9317 191.562 -150.794 227.616 141.115 -139.332 -273.581 -76.1771 80.4841 PRESSAVG: 75000 69.7197 73.6692 -28.5394 73.6692 9.98303 -2.69612 -28.5394 -2.69609 -103.264 GPRESSAVG: 75000 69.8637 70.7398 -28.3399 75.7113 9.33508 -3.19379 -29.7708 -1.74224 -102.62 TIMING: 75000 CPU: 223.62, 0.00297729/step Wall: 223.62, 0.00297729/step, 4.0731 hours remaining, 199.402344 MB of memory in use. ENERGY: 75000 739.0901 2116.4127 1939.9710 119.2426 -206631.4755 17847.1340 0.0000 0.0000 34182.1654 -149687.4597 298.5214 -183869.6251 -149596.6411 298.3891 73.2408 105.5103 556845.1720 -7.8537 -7.8071 PRESSURE: 75200 4.0478 -77.6671 -29.8652 -77.667 96.494 -91.3103 -29.8644 -91.31 230.923 GPRESSURE: 75200 77.0714 -38.975 -12.9828 -92.0866 120.676 -64.024 60.0195 -122.32 222.785 PRESSAVG: 75200 5.57284 21.0758 -30.1854 21.0758 52.4207 -47.4174 -30.1854 -47.4174 -21.127 GPRESSAVG: 75200 5.31115 21.5222 -29.3025 21.3354 51.9198 -48.2962 -30.7412 -47.8212 -20.1145 TIMING: 75200 CPU: 224.214, 0.00297035/step Wall: 224.214, 0.00297035/step, 4.06344 hours remaining, 199.402344 MB of memory in use. ENERGY: 75200 734.3236 2116.2184 1969.8599 112.5466 -206826.3752 18032.5367 0.0000 0.0000 34244.8467 -149616.0432 299.0688 -183860.8900 -149514.8323 298.8009 110.4882 140.1773 555402.0104 12.2889 12.3722 PRESSURE: 75400 84.9295 -2.78629 -28.409 -2.7878 -274.432 201.497 -28.4091 201.497 -44.9289 GPRESSURE: 75400 78.9652 -118.533 -44.6324 -51.6245 -226.654 233.26 -25.3936 175.411 4.27482 PRESSAVG: 75400 -52.145 -38.4717 8.70302 -38.4716 30.6797 13.1902 8.70302 13.1903 -11.4081 GPRESSAVG: 75400 -51.6362 -36.6575 7.46462 -40.3562 30.8427 14.2596 10.3643 12.2578 -12.2819 TIMING: 75400 CPU: 224.806, 0.00296058/step Wall: 224.806, 0.00296058/step, 4.04991 hours remaining, 199.402344 MB of memory in use. ENERGY: 75400 793.3052 2175.3051 1951.8735 119.0755 -206720.5591 17963.8241 0.0000 0.0000 34159.3708 -149557.8049 298.3223 -183717.1757 -149462.3724 298.5518 -78.1438 -47.8046 557183.5062 -10.9578 -11.0251 PRESSURE: 75600 -182.808 -9.56602 12.0034 -9.56611 382.153 -123.133 12.0042 -123.133 -307.841 GPRESSURE: 75600 -137.563 -19.4025 -11.8794 -70.3658 461.48 -172.983 42.7575 -90.051 -330.752 PRESSAVG: 75600 23.8171 -16.2766 -15.9303 -16.2766 18.646 2.60487 -15.9303 2.60491 1.35139 GPRESSAVG: 75600 23.6568 -18.4377 -17.5615 -12.7001 18.3945 2.73805 -15.2096 3.89694 2.25116 TIMING: 75600 CPU: 225.4, 0.00297149/step Wall: 225.4, 0.00297149/step, 4.06466 hours remaining, 199.402344 MB of memory in use. ENERGY: 75600 765.4838 2121.8475 1916.8490 116.9789 -206727.5634 17886.3402 0.0000 0.0000 34438.3170 -149481.7469 300.7584 -183920.0639 -149384.7208 298.9823 -36.1656 -2.2780 557440.7128 14.6048 14.7675 PRESSURE: 75800 -32.6336 252.77 87.6298 252.769 -138.689 209.71 87.6304 209.711 -195.04 GPRESSURE: 75800 15.6459 242.553 88.0104 238.042 -82.7949 174.341 35.6464 195.9 -196.648 PRESSAVG: 75800 -4.70207 -32.6582 -30.1672 -32.6582 35.5668 12.4476 -30.1672 12.4476 -13.5625 GPRESSAVG: 75800 -5.76697 -31.163 -28.1791 -33.4892 35.3894 12.087 -33.5606 12.9954 -12.5856 TIMING: 75800 CPU: 225.996, 0.00297643/step Wall: 225.996, 0.00297643/step, 4.07126 hours remaining, 199.402344 MB of memory in use. ENERGY: 75800 756.4082 2095.2139 1939.1080 108.4975 -206314.3729 17731.0932 0.0000 0.0000 34187.9740 -149496.0782 298.5721 -183684.0522 -149391.1947 299.6194 -122.1209 -87.9322 558380.5350 5.7674 5.6789 PRESSURE: 76000 -18.6477 -90.4423 126.355 -90.4442 -142.91 -53.0239 126.354 -53.0235 -88.6793 GPRESSURE: 76000 9.08104 -46.4195 126.97 -134.237 -66.6859 32.1133 160.255 -47.1296 -84.4559 PRESSAVG: 76000 -29.9093 -10.463 7.43142 -10.463 44.5741 -8.21105 7.43138 -8.21089 -40.3358 GPRESSAVG: 76000 -28.9363 -10.9011 8.62442 -9.62288 45.0646 -8.7319 7.66706 -7.99766 -41.4428 TIMING: 76000 CPU: 226.592, 0.0029801/step Wall: 226.592, 0.0029801/step, 4.07612 hours remaining, 199.402344 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: 76000 766.8726 2073.0015 1918.9275 113.2313 -206178.0162 17836.7149 0.0000 0.0000 33937.3363 -149531.9321 296.3832 -183469.2684 -149433.0595 298.6986 -83.4124 -47.3536 558414.6794 -8.5570 -8.4382 PRESSURE: 76200 31.778 36.2657 -112.18 36.2656 81.0622 3.845 -112.18 3.84533 -17.3 GPRESSURE: 76200 81.6905 -36.4392 -87.3909 -3.41105 117.922 37.2234 -87.7277 -57.5142 -14.7771 PRESSAVG: 76200 52.0822 -4.78578 14.4836 -4.78587 -57.7732 -32.3325 14.4836 -32.3325 65.8431 GPRESSAVG: 76200 52.2439 -4.87667 12.1056 -5.32549 -56.9375 -31.7429 15.4082 -33.8716 65.1913 TIMING: 76200 CPU: 227.184, 0.00296231/step Wall: 227.184, 0.00296231/step, 4.05162 hours remaining, 199.402344 MB of memory in use. ENERGY: 76200 752.9393 2111.0440 1964.6346 103.0331 -206513.3076 17868.5515 0.0000 0.0000 34153.4282 -149559.6769 298.2704 -183713.1051 -149463.4500 298.6698 31.8467 61.6117 556439.9472 20.0507 20.1659 LDB: ============= START OF LOAD BALANCING ============== 230.697 LDB: ============== END OF LOAD BALANCING =============== 230.697 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 230.699 LDB: ============= START OF LOAD BALANCING ============== 230.995 LDB: Largest compute 4773 load 0.031561 is 26.8% of average load 0.117801 LDB: Average compute 0.001731 is 1.5% of average load 0.117801 LDB: TIME 230.998 LOAD: AVG 0.117801 MAX 0.207169 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 199.859 MB LDB: TIME 230.998 LOAD: AVG 0.117801 MAX 0.207169 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.859 MB LDB: TIME 230.998 LOAD: AVG 0.117801 MAX 0.207169 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.859 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 231 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 231.004 PRESSURE: 76400 17.2539 -121.422 10.6207 -121.421 -116.171 -52.2455 10.6213 -52.2456 32.2254 GPRESSURE: 76400 92.536 -104.897 38.5421 -66.7675 -96.2201 -56.1101 29.2539 -83.9783 45.4276 PRESSAVG: 76400 -4.72897 -27.2559 -21.335 -27.2559 -8.28248 -82.8209 -21.335 -82.8209 -3.00312 GPRESSAVG: 76400 -4.99861 -24.9697 -21.4017 -29.4183 -8.34231 -82.7603 -21.4068 -82.6803 -2.94462 TIMING: 76400 CPU: 227.787, 0.00301653/step Wall: 227.787, 0.00301653/step, 4.12561 hours remaining, 201.335938 MB of memory in use. ENERGY: 76400 752.0227 2122.1702 1940.2928 115.7539 -206361.1787 17888.1659 0.0000 0.0000 34241.9526 -149300.8206 299.0435 -183542.7732 -149205.1634 298.4743 -22.2306 13.9145 556749.4519 -5.3382 -5.4285 PRESSURE: 76600 124.263 -76.484 -3.77379 -76.4852 121.535 121.676 -3.77514 121.676 43.0144 GPRESSURE: 76600 92.6492 -55.1791 -49.6959 -109.101 219.776 84.7824 39.9535 79.1196 76.1601 PRESSAVG: 76600 48.7672 -25.6281 -2.89243 -25.6282 -49.4283 -23.0479 -2.89243 -23.048 34.4644 GPRESSAVG: 76600 47.8068 -28.8947 -0.195383 -25.2665 -48.719 -23.4848 -2.45726 -23.0587 35.1752 TIMING: 76600 CPU: 228.378, 0.00295122/step Wall: 228.378, 0.00295122/step, 4.03612 hours remaining, 201.542969 MB of memory in use. ENERGY: 76600 778.0325 2021.3474 1966.1546 116.9937 -206898.7909 18248.9157 0.0000 0.0000 34325.2200 -149442.1270 299.7707 -183767.3470 -149347.2443 298.7974 96.2709 129.5286 557372.9587 11.2678 11.4210 PRESSURE: 76800 -54.6221 3.31262 2.54668 3.31145 93.4044 -126.186 2.54731 -126.187 -67.1233 GPRESSURE: 76800 -22.6839 -30.8604 29.2831 -7.66857 85.403 -20.9891 -76.4723 -106.209 -9.27094 PRESSAVG: 76800 3.08498 7.6428 -12.1736 7.64277 -41.6309 9.93726 -12.1734 9.93729 18.3372 GPRESSAVG: 76800 3.58074 9.2407 -12.9522 7.85978 -43.095 9.23944 -12.5066 10.3332 18.9139 TIMING: 76800 CPU: 228.974, 0.00298052/step Wall: 228.974, 0.00298052/step, 4.07602 hours remaining, 201.675781 MB of memory in use. ENERGY: 76800 759.9047 2084.9558 1986.9463 119.7705 -206420.5849 17948.0084 0.0000 0.0000 34106.5389 -149414.4602 297.8609 -183520.9991 -149320.0819 298.6494 -9.4470 17.8160 558393.8853 -6.7363 -6.8668 PRESSURE: 77000 114.19 -95.6857 -50.0198 -95.6879 101.078 83.4409 -50.0185 83.4403 -15.1597 GPRESSURE: 77000 175.413 -90.0081 6.07965 -85.0163 84.091 124.834 -77.2358 100.258 40.7872 PRESSAVG: 77000 -20.6231 26.0838 -38.7339 26.0839 35.0569 110.603 -38.7339 110.603 9.48243 GPRESSAVG: 77000 -19.7735 25.1443 -37.5004 27.2857 34.0614 111.383 -37.8132 110.223 9.53321 TIMING: 77000 CPU: 229.564, 0.00295064/step Wall: 229.564, 0.00295064/step, 4.035 hours remaining, 201.675781 MB of memory in use. ENERGY: 77000 735.4878 2091.2997 1953.0875 99.8884 -206311.3972 18072.5938 0.0000 0.0000 34012.1437 -149346.8963 297.0365 -183359.0400 -149249.1409 298.6573 66.7026 100.0971 558299.5431 7.9721 7.9404 PRESSURE: 77200 -104.615 91.7967 -5.88767 91.7955 -71.3408 13.7031 -5.88759 13.7032 -14.1903 GPRESSURE: 77200 -113.27 209.279 23.6036 36.9684 -27.181 -28.8504 -54.8471 47.1758 56.7536 PRESSAVG: 77200 -67.9705 -15.7913 -17.7897 -15.7913 46.9885 60.9684 -17.7897 60.9682 -6.6295 GPRESSAVG: 77200 -68.9125 -17.0744 -19.208 -15.9207 48.707 59.0766 -19.1904 60.6224 -7.52013 TIMING: 77200 CPU: 230.153, 0.00294543/step Wall: 230.153, 0.00294543/step, 4.02771 hours remaining, 201.675781 MB of memory in use. ENERGY: 77200 725.5106 2099.9824 1982.2233 98.7878 -206036.9208 17741.3006 0.0000 0.0000 34143.5584 -149245.5577 298.1842 -183389.1161 -149157.3035 298.7786 -63.3819 -27.8991 557517.6292 -9.2038 -9.2419 PRESSURE: 77400 147.144 125.21 41.077 125.21 203.552 -144.42 41.0788 -144.422 389.375 GPRESSURE: 77400 165.714 55.3051 -9.50263 175.666 242.35 -9.11892 38.6899 -200.998 431.558 PRESSAVG: 77400 -38.6967 54.4666 -29.4888 54.4665 16.2139 -23.776 -29.4889 -23.7759 38.976 GPRESSAVG: 77400 -38.8348 55.0314 -29.713 54.8391 14.158 -21.407 -28.4541 -23.3381 40.5568 TIMING: 77400 CPU: 230.742, 0.00294691/step Wall: 230.742, 0.00294691/step, 4.02957 hours remaining, 201.675781 MB of memory in use. ENERGY: 77400 723.9492 2134.5946 1941.1802 117.5242 -206621.6140 18286.3890 0.0000 0.0000 34346.0861 -149071.8906 299.9529 -183417.9767 -148980.6969 299.4065 246.6899 279.8738 556686.9354 5.4977 5.2933 PRESSURE: 77600 67.1637 -2.27406 67.0167 -2.2729 46.1159 38.6086 67.0157 38.6075 70.3067 GPRESSURE: 77600 174.101 46.1008 57.3739 -5.80319 44.296 22.5565 63.5754 102.003 63.7371 PRESSAVG: 77600 50.8124 29.6459 50.7745 29.646 5.24987 -8.52627 50.7744 -8.52622 2.69922 GPRESSAVG: 77600 51.2598 31.8329 50.9755 28.305 6.49701 -10.218 51.0751 -7.97447 1.13879 TIMING: 77600 CPU: 231.334, 0.00295948/step Wall: 231.334, 0.00295948/step, 4.0466 hours remaining, 201.675781 MB of memory in use. ENERGY: 77600 746.8944 2131.0004 1943.8277 119.1898 -206281.6861 17776.8481 0.0000 0.0000 34386.0419 -149177.8839 300.3019 -183563.9258 -149084.2092 299.7643 61.1955 94.0446 555674.7212 19.5872 19.6319 PRESSURE: 77800 186.062 182.232 5.49465 182.232 -2.08314 147.992 5.49434 147.992 -15.2917 GPRESSURE: 77800 238.64 263.302 -24.509 202.149 17.7538 94.6761 -48.6692 227.241 11.4439 PRESSAVG: 77800 68.0907 19.9701 71.86 19.9702 -46.9291 42.6109 71.8599 42.6109 -19.7824 GPRESSAVG: 77800 67.5498 20.1386 70.102 20.7089 -47.484 42.5043 73.31 43.0214 -18.984 TIMING: 77800 CPU: 231.931, 0.00298155/step Wall: 231.931, 0.00298155/step, 4.0766 hours remaining, 201.675781 MB of memory in use. ENERGY: 77800 762.6764 2056.1730 1938.5271 110.7482 -206044.2597 17804.8960 0.0000 0.0000 34317.8339 -149053.4051 299.7062 -183371.2390 -148959.0301 299.8282 56.2290 89.2792 556499.1560 0.4597 0.3606 PRESSURE: 78000 70.445 -118.387 -30.0613 -118.386 -12.1465 -7.44961 -30.062 -7.45047 -56.3595 GPRESSURE: 78000 92.0381 -80.1449 -114.664 -70.7894 18.0903 8.39326 64.1787 4.58871 -0.236038 PRESSAVG: 78000 35.0815 69.8069 -34.2873 69.8069 -7.55013 34.5886 -34.2874 34.5886 -22.248 GPRESSAVG: 78000 35.9079 67.4806 -31.9082 69.9688 -7.11985 35.9493 -36.8424 33.0107 -23.4224 TIMING: 78000 CPU: 232.526, 0.00297804/step Wall: 232.526, 0.00297804/step, 4.07164 hours remaining, 201.675781 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: 78000 796.9765 2071.3024 1948.1006 113.6261 -206321.4403 18094.2893 0.0000 0.0000 34317.3960 -148979.7495 299.7024 -183297.1455 -148885.9912 299.2573 0.6463 36.6308 557787.0061 1.7612 1.7885 PRESSURE: 78200 -71.1262 -4.70473 -36.7105 -4.7062 -20.8092 -185.721 -36.711 -185.721 -63.4919 GPRESSURE: 78200 -43.3469 131.547 -2.88838 -65.2028 52.6657 -115.993 -52.93 -186.082 -79.1206 PRESSAVG: 78200 -0.162458 48.3046 -4.32462 48.3045 9.33423 -21.9404 -4.32461 -21.9404 -44.9043 GPRESSAVG: 78200 -0.588062 50.2014 -3.38965 46.6875 9.04638 -20.2876 -4.43838 -21.8858 -43.9659 TIMING: 78200 CPU: 233.122, 0.00298096/step Wall: 233.122, 0.00298096/step, 4.07547 hours remaining, 201.675781 MB of memory in use. ENERGY: 78200 740.8437 2187.1064 1942.0060 111.2870 -205983.4533 17640.7494 0.0000 0.0000 34177.7188 -149183.7420 298.4825 -183361.4608 -149088.4121 299.6399 -51.8091 -23.2673 557064.7895 -11.9108 -11.8359 PRESSURE: 78400 202.04 -48.8874 9.92333 -48.8874 367.39 -118.739 9.92241 -118.74 212.776 GPRESSURE: 78400 220.987 -19.0944 -46.0418 -68.5872 424.82 -167.861 12.0416 -177.521 243.998 PRESSAVG: 78400 -23.2645 -27.5995 19.5385 -27.5996 85.1459 -4.75753 19.5384 -4.75752 -86.8652 GPRESSAVG: 78400 -22.7025 -27.4861 16.4006 -27.2385 85.3979 -6.87483 22.7642 -5.43545 -87.494 TIMING: 78400 CPU: 233.724, 0.00300964/step Wall: 233.724, 0.00300964/step, 4.11451 hours remaining, 201.675781 MB of memory in use. ENERGY: 78400 730.1683 2100.2544 1958.3731 112.0189 -206864.1090 18244.5214 0.0000 0.0000 34700.8048 -149017.9680 303.0508 -183718.7728 -148918.9333 300.4964 260.7353 296.6015 555932.9661 -8.3279 -8.2662 PRESSURE: 78600 -134.66 -82.6951 55.7971 -82.6948 165.81 -0.941174 55.7975 -0.942275 75.2941 GPRESSURE: 78600 -135.317 20.5819 79.5414 -152.693 210.265 55.3935 41.2929 51.6279 132.229 PRESSAVG: 78600 -28.9249 -60.9138 6.09476 -60.9138 25.9355 -74.5621 6.09477 -74.5624 43.7758 GPRESSAVG: 78600 -30.3176 -61.5669 8.30528 -60.5272 27.1562 -74.4657 3.59284 -72.5697 43.9516 TIMING: 78600 CPU: 234.332, 0.00303705/step Wall: 234.332, 0.00303705/step, 4.15182 hours remaining, 201.675781 MB of memory in use. ENERGY: 78600 704.4538 2090.3081 1943.9692 123.9492 -206365.9927 17952.3302 0.0000 0.0000 34393.4584 -149157.5238 300.3666 -183550.9822 -149065.2437 300.1635 35.4814 69.0587 557850.8621 13.5954 13.5967 PRESSURE: 78800 88.5518 -63.8306 -33.727 -63.8317 6.84635 -91.4699 -33.7263 -91.471 -18.6485 GPRESSURE: 78800 72.4859 -81.1147 -57.3222 -32.6633 59.2141 -55.002 -20.4968 -108.752 41.35 PRESSAVG: 78800 -74.7668 -5.64904 11.9401 -5.64911 35.7469 59.1612 11.94 59.1613 58.9329 GPRESSAVG: 78800 -73.3295 -3.5378 10.7325 -6.45455 33.1159 58.0055 13.2277 56.9297 60.4315 TIMING: 78800 CPU: 234.933, 0.00300508/step Wall: 234.933, 0.00300508/step, 4.10795 hours remaining, 201.675781 MB of memory in use. ENERGY: 78800 761.6171 2078.7581 1948.8036 112.2367 -206178.1518 18004.1431 0.0000 0.0000 34246.1188 -149026.4744 299.0799 -183272.5932 -148929.8378 299.8960 25.5832 57.6833 558893.1255 6.6377 6.7393 PRESSURE: 79000 1.52113 -69.3941 155.488 -69.3945 204.859 -83.4502 155.488 -83.4493 48.2281 GPRESSURE: 79000 -26.5749 -74.4918 173.424 -131.535 250.114 -41.0971 151.872 -175.231 120.733 PRESSAVG: 79000 34.8971 -63.7124 -11.8696 -63.7124 -90.7364 9.14492 -11.8697 9.14507 12.7076 GPRESSAVG: 79000 33.3109 -66.6005 -12.1085 -63.2592 -89.6918 8.88174 -12.8013 10.5128 13.4344 TIMING: 79000 CPU: 235.537, 0.00302064/step Wall: 235.537, 0.00302064/step, 4.12904 hours remaining, 201.675781 MB of memory in use. ENERGY: 79000 719.1185 2087.5446 1950.2893 118.5369 -206255.1998 17913.7653 0.0000 0.0000 34446.1872 -149019.7580 300.8271 -183465.9452 -148908.8884 299.6383 84.8695 114.7573 558389.4311 -14.3772 -14.3155 PRESSURE: 79200 146.618 75.4277 -157.441 75.4276 108.07 69.3832 -157.44 69.3836 21.2817 GPRESSURE: 79200 126.626 78.4538 -107.308 168.916 180.363 75.1495 -143.452 57.0038 56.8341 PRESSAVG: 79200 -45.1534 -6.59722 -14.3023 -6.5973 30.0781 57.4631 -14.3023 57.4631 10.992 GPRESSAVG: 79200 -44.5286 -6.97493 -13.6976 -3.3583 30.7576 56.9165 -13.5879 57.9508 10.2647 TIMING: 79200 CPU: 236.134, 0.00298476/step Wall: 236.134, 0.00298476/step, 4.07983 hours remaining, 201.675781 MB of memory in use. ENERGY: 79200 763.7133 2036.3034 1948.0357 118.4692 -206102.4296 17977.7385 0.0000 0.0000 34209.5266 -149048.6428 298.7603 -183258.1694 -148946.1358 299.8782 91.9900 121.2743 558139.9231 -1.3611 -1.1688 PRESSURE: 79400 -175.294 -142.234 -62.0934 -142.235 -84.6458 57.5993 -62.0925 57.5987 -185.829 GPRESSURE: 79400 -138.906 -161.064 7.8643 -113.434 -93.8103 133.732 -81.1396 99.8312 -130.16 PRESSAVG: 79400 33.7272 47.0711 -20.2497 47.0711 -79.1025 -10.3767 -20.2497 -10.3767 -14.2105 GPRESSAVG: 79400 34.2238 48.7364 -20.5254 43.1195 -79.0334 -9.06194 -21.2024 -10.5276 -15.0482 TIMING: 79400 CPU: 236.732, 0.00299009/step Wall: 236.732, 0.00299009/step, 4.08695 hours remaining, 201.675781 MB of memory in use. ENERGY: 79400 804.1564 2076.1724 1952.7270 111.8411 -206310.2156 17836.8671 0.0000 0.0000 34262.4424 -149266.0093 299.2224 -183528.4517 -149177.2467 299.3613 -148.5898 -120.9587 557534.5421 -19.8620 -19.9526 PRESSURE: 79600 -3.0984 -46.9274 112.854 -46.9274 -128.965 21.0351 112.854 21.0351 10.9766 GPRESSURE: 79600 30.6284 -20.2429 194.243 -48.5321 -108.098 17.3697 4.25936 64.8179 51.2467 PRESSAVG: 79600 18.5588 -36.7803 12.6534 -36.7804 -51.3917 -26.4138 12.6533 -26.4139 54.4227 GPRESSAVG: 79600 20.1139 -36.528 12.3441 -35.2512 -52.6366 -26.9249 15.5921 -27.7036 53.8568 TIMING: 79600 CPU: 237.33, 0.00298881/step Wall: 237.33, 0.00298881/step, 4.08504 hours remaining, 201.675781 MB of memory in use. ENERGY: 79600 743.9666 2050.5561 1934.6359 104.5281 -206194.9476 17841.6663 0.0000 0.0000 34277.1504 -149242.4442 299.3509 -183519.5946 -149144.5750 299.1419 -40.3623 -8.7410 557890.4022 7.1966 7.1114 PRESSURE: 79800 -72.5642 -125.728 -34.9624 -125.727 -336.334 -148.424 -34.962 -148.423 -362.021 GPRESSURE: 79800 -87.4693 -65.1971 47.0648 -119.233 -303.599 -208.822 -188.192 -122.035 -284.915 PRESSAVG: 79800 25.0136 -10.5365 10.6647 -10.5367 -46.6605 29.8331 10.6647 29.833 -4.10677 GPRESSAVG: 79800 23.2186 -11.6967 11.8436 -8.78933 -45.3634 29.5625 8.49291 32.074 -3.60904 TIMING: 79800 CPU: 237.922, 0.00296067/step Wall: 237.922, 0.00296067/step, 4.04641 hours remaining, 201.675781 MB of memory in use. ENERGY: 79800 733.2852 2086.4673 1967.4407 124.2732 -205722.5960 17386.6865 0.0000 0.0000 34202.8160 -149221.6271 298.7017 -183424.4431 -149128.9460 299.3383 -256.9730 -225.3278 558541.3922 -8.5846 -8.5846 PRESSURE: 80000 -390.44 -69.4501 -52.6972 -69.4499 -410.84 46.1807 -52.6978 46.1812 -11.7197 GPRESSURE: 80000 -332.034 -102.415 -97.6597 -67.2417 -335.814 56.291 -80.2541 -13.8212 -53.2703 PRESSAVG: 80000 1.7681 -49.908 13.371 -49.908 25.587 -50.5036 13.3711 -50.5038 -29.2776 GPRESSAVG: 80000 1.48038 -48.6863 12.9407 -53.379 25.2654 -53.0628 12.2319 -49.8708 -28.7342 TIMING: 80000 CPU: 238.522, 0.00300275/step Wall: 238.522, 0.00300275/step, 4.10376 hours remaining, 201.675781 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: 80000 734.2656 2116.6574 1954.4096 118.5997 -205933.4228 17528.6316 0.0000 0.0000 34330.0781 -149150.7809 299.8131 -183480.8590 -149046.3666 299.3677 -270.9999 -240.3728 559398.9679 -0.6408 -0.6628 PRESSURE: 80200 -38.7728 -164.664 118.978 -164.662 -139.366 -218.287 118.978 -218.286 -117.59 GPRESSURE: 80200 -36.6279 -224.554 121.308 -129.472 -96.828 -169.656 114.125 -213.005 -53.1963 PRESSAVG: 80200 -19.6454 -22.1985 -28.9384 -22.1985 -16.0582 -70.8898 -28.9385 -70.8897 39.8278 GPRESSAVG: 80200 -18.34 -24.3423 -28.2847 -20.6937 -16.2877 -69.0769 -29.8401 -71.7905 38.9434 TIMING: 80200 CPU: 239.121, 0.00299426/step Wall: 239.121, 0.00299426/step, 4.09198 hours remaining, 201.675781 MB of memory in use. ENERGY: 80200 718.6126 2151.4283 1959.3574 113.4400 -206267.3913 17746.7699 0.0000 0.0000 34397.3337 -149180.4494 300.4005 -183577.7831 -149082.7205 299.7395 -98.5763 -62.2174 558611.1719 1.3747 1.4386 LDB: ============= START OF LOAD BALANCING ============== 242.634 LDB: ============== END OF LOAD BALANCING =============== 242.634 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 242.636 LDB: ============= START OF LOAD BALANCING ============== 242.933 LDB: Largest compute 4773 load 0.031315 is 26.6% of average load 0.117772 LDB: Average compute 0.001727 is 1.5% of average load 0.117772 LDB: TIME 242.935 LOAD: AVG 0.117772 MAX 0.206488 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 199.148 MB LDB: TIME 242.935 LOAD: AVG 0.117772 MAX 0.206488 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.219 MB LDB: TIME 242.935 LOAD: AVG 0.117772 MAX 0.206488 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.219 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 242.937 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 242.941 PRESSURE: 80400 -214.11 -71.1528 -89.1602 -71.1516 -189.41 -146.081 -89.1609 -146.081 -140.97 GPRESSURE: 80400 -154.274 -38.6906 -113.611 -147.263 -155.515 -150.693 0.701531 -119.966 -133.054 PRESSAVG: 80400 -34.3093 -41.9806 -32.7922 -41.9804 -4.65994 21.1069 -32.7921 21.107 10.2507 GPRESSAVG: 80400 -35.3299 -39.7171 -35.3918 -42.8072 -4.24816 22.3971 -29.9346 21.6773 11.0462 TIMING: 80400 CPU: 239.725, 0.00301688/step Wall: 239.725, 0.00301688/step, 4.12274 hours remaining, 198.949219 MB of memory in use. ENERGY: 80400 790.8251 2165.8580 1946.6920 103.1902 -206189.8574 17718.1731 0.0000 0.0000 34455.3103 -149009.8086 300.9068 -183465.1190 -148922.0748 300.3190 -181.4965 -147.6142 557562.8216 -9.5729 -9.5106 PRESSURE: 80600 253.993 -156.377 -29.4839 -156.376 167.582 4.77141 -29.4836 4.77041 -90.165 GPRESSURE: 80600 221.229 -144.614 -47.3741 -129.791 186.805 8.57163 -80.8198 -7.70863 3.8474 PRESSAVG: 80600 14.7167 -12.9911 -34.3969 -12.9911 41.6331 -15.7598 -34.397 -15.7598 -29.8069 GPRESSAVG: 80600 15.1411 -13.2355 -32.2251 -10.881 41.8903 -16.4921 -36.8541 -17.9613 -30.2402 TIMING: 80600 CPU: 240.324, 0.00299783/step Wall: 240.324, 0.00299783/step, 4.09653 hours remaining, 198.949219 MB of memory in use. ENERGY: 80600 740.2669 2117.5216 1938.6791 130.3018 -206176.7202 17975.5995 0.0000 0.0000 34178.4602 -149095.8910 298.4890 -183274.3512 -148996.3820 299.8721 110.4698 137.2937 556950.9434 8.8476 8.9304 PRESSURE: 80800 -51.0709 157.752 199.938 157.753 -2.97805 -76.2831 199.939 -76.2842 95.268 GPRESSURE: 80800 -11.7591 175.133 161.266 67.3502 16.8458 -73.345 187.326 -101.469 119.948 PRESSAVG: 80800 14.2089 36.5002 2.43086 36.5001 12.3916 7.17191 2.43085 7.17189 43.7353 GPRESSAVG: 80800 14.32 34.1053 1.37887 35.308 12.383 7.87761 4.43627 5.51557 43.6207 TIMING: 80800 CPU: 240.92, 0.00297817/step Wall: 240.92, 0.00297817/step, 4.0695 hours remaining, 198.949219 MB of memory in use. ENERGY: 80800 751.8888 2141.0670 1927.4452 110.5885 -206083.6637 17805.3745 0.0000 0.0000 34349.5985 -148997.7011 299.9836 -183347.2996 -148900.0871 300.3903 13.7397 41.6783 558024.7928 23.4452 23.4412 PRESSURE: 81000 -118.932 -70.3954 38.8845 -70.3977 -7.05856 157.181 38.8848 157.182 66.987 GPRESSURE: 81000 -122.149 -53.5688 38.212 -14.5774 41.9477 94.7776 -17.6595 165.157 124.786 PRESSAVG: 81000 -45.5649 -22.5958 -25.1165 -22.5957 -52.2637 -2.4049 -25.1165 -2.40493 47.1111 GPRESSAVG: 81000 -45.4442 -20.4489 -24.6051 -24.4688 -53.0185 -1.16773 -25.5264 -1.5887 47.7577 TIMING: 81000 CPU: 241.514, 0.0029696/step Wall: 241.514, 0.0029696/step, 4.05762 hours remaining, 198.949219 MB of memory in use. ENERGY: 81000 732.9172 2132.1874 1949.3338 115.5706 -206338.4161 17933.6775 0.0000 0.0000 34440.5913 -149034.1384 300.7782 -183474.7297 -148935.5514 300.2938 -19.6679 14.8613 557504.4631 -16.9058 -16.9017 PRESSURE: 81200 164.681 -19.4379 -92.205 -19.4374 294.027 187.429 -92.2056 187.429 193.214 GPRESSURE: 81200 211.695 -37.8187 -171.894 44.0906 328.201 221.024 -75.3738 195.516 210.276 PRESSAVG: 81200 -2.49945 16.3432 -11.0776 16.3432 -49.6706 12.1993 -11.0777 12.1992 36.5055 GPRESSAVG: 81200 -2.88989 13.7737 -10.3259 18.7372 -47.8767 11.8715 -12.406 13.2933 35.3449 TIMING: 81200 CPU: 242.107, 0.00296748/step Wall: 242.107, 0.00296748/step, 4.05457 hours remaining, 198.949219 MB of memory in use. ENERGY: 81200 764.2075 2126.7938 1937.7341 120.7970 -206616.4301 18190.7250 0.0000 0.0000 34477.3699 -148998.8029 301.0994 -183476.1728 -148907.1777 300.5389 217.3075 250.0574 556259.2979 -5.2215 -5.1406 PRESSURE: 81400 81.4415 235.137 -33.1548 235.138 -174.025 -97.2373 -33.155 -97.2378 -84.1275 GPRESSURE: 81400 132.182 279.597 -24.6703 325.168 -161.75 18.0947 -3.73061 -101.606 -49.2327 PRESSAVG: 81400 56.8858 34.2542 3.10065 34.2543 -67.343 73.393 3.10061 73.393 10.8962 GPRESSAVG: 81400 57.9747 34.1012 2.39047 34.6846 -69.4713 71.8238 5.85537 73.4475 11.4256 TIMING: 81400 CPU: 242.7, 0.00296406/step Wall: 242.7, 0.00296406/step, 4.04973 hours remaining, 198.949219 MB of memory in use. ENERGY: 81400 769.8634 2141.2777 1935.2930 119.3905 -206395.9484 17903.2887 0.0000 0.0000 34248.8119 -149278.0232 299.1034 -183526.8350 -149178.4455 300.0228 -58.9037 -26.2669 556255.4165 0.1463 -0.0237 PRESSURE: 81600 43.9561 138.178 -73.9052 138.177 42.7579 17.8447 -73.9035 17.846 -104.068 GPRESSURE: 81600 109.798 196.118 -124.519 52.7653 83.0088 82.9093 -35.9715 -47.4021 -112.241 PRESSAVG: 81600 67.1666 33.7459 -4.50565 33.7458 -33.6768 -36.5369 -4.50552 -36.5368 22.475 GPRESSAVG: 81600 66.6576 34.936 -6.92818 33.4826 -33.1693 -35.6414 -5.32601 -37.771 22.2806 TIMING: 81600 CPU: 243.299, 0.00299371/step Wall: 243.299, 0.00299371/step, 4.09007 hours remaining, 198.949219 MB of memory in use. ENERGY: 81600 795.1200 2106.0238 1943.6404 104.9363 -206650.6733 18023.2456 0.0000 0.0000 34340.2999 -149337.4075 299.9024 -183677.7073 -149238.2478 299.1375 -5.7846 26.8551 555491.7827 18.6550 18.5896 PRESSURE: 81800 144.403 76.439 -27.5611 76.4389 -5.70659 71.4372 -27.5598 71.4391 -121.254 GPRESSURE: 81800 177.768 110.781 -1.44981 12.3213 -2.43676 84.2626 32.5583 34.2904 -61.1001 PRESSAVG: 81800 13.2045 12.2452 29.8063 12.2452 5.42836 40.5218 29.8062 40.5217 -11.2911 GPRESSAVG: 81800 12.774 12.975 31.7358 9.91346 6.65569 40.2339 28.2127 38.957 -12.361 TIMING: 81800 CPU: 243.897, 0.00299057/step Wall: 243.897, 0.00299057/step, 4.08562 hours remaining, 198.949219 MB of memory in use. ENERGY: 81800 731.7393 2126.2114 1928.8293 119.3480 -206485.2546 17803.0120 0.0000 0.0000 34276.8124 -149499.3023 299.3479 -183776.1147 -149408.0301 298.1941 5.8142 38.0771 556080.5985 2.4473 2.3562 PRESSURE: 82000 -135.282 -101.256 -72.1421 -101.256 -307.814 7.5602 -72.1427 7.55775 122.509 GPRESSURE: 82000 -111.29 -91.9218 -60.2554 -81.2498 -328.374 77.9622 -26.8193 64.8975 222.247 PRESSAVG: 82000 -41.6612 5.59227 -73.4052 5.59232 7.39526 24.7387 -73.4053 24.7388 5.6549 GPRESSAVG: 82000 -41.5139 5.51579 -71.5034 5.47884 5.73087 24.4751 -72.1207 27.9809 6.76522 TIMING: 82000 CPU: 244.495, 0.00299/step Wall: 244.495, 0.00299/step, 4.08467 hours remaining, 198.949219 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: 82000 777.5044 2138.1222 1936.4136 117.2917 -206427.0798 17736.6514 0.0000 0.0000 34099.1549 -149621.9417 297.7964 -183721.0966 -149521.4703 298.7981 -106.8625 -72.4724 556752.7069 -9.5370 -9.6726 PRESSURE: 82200 -12.294 -17.1053 22.1289 -17.1043 -134.572 45.8105 22.1297 45.8104 -61.7098 GPRESSURE: 82200 -39.6022 -53.5796 -13.9223 58.7278 -39.73 50.0457 93.3468 157.291 -31.3476 PRESSAVG: 82200 9.91439 -13.569 16.9476 -13.569 -52.4585 16.8492 16.9476 16.8493 52.6523 GPRESSAVG: 82200 9.84428 -13.9142 16.8511 -10.6878 -52.0166 17.1649 16.7732 14.7747 51.9246 TIMING: 82200 CPU: 245.092, 0.00298707/step Wall: 245.092, 0.00298707/step, 4.0805 hours remaining, 198.949219 MB of memory in use. ENERGY: 82200 768.1513 2133.1394 1949.4607 110.3740 -206038.8054 17695.2804 0.0000 0.0000 34003.4170 -149378.9826 296.9603 -183382.3996 -149283.1014 298.7155 -69.5253 -36.8933 559304.9357 3.3694 3.2508 PRESSURE: 82400 -41.3762 -48.6843 0.383155 -48.6839 -141.119 -80.9087 0.382805 -80.9078 -102.257 GPRESSURE: 82400 -36.4699 -55.9525 22.5552 -112.846 -130.802 -102.211 9.19354 4.10639 -25.5921 PRESSAVG: 82400 51.3584 40.4976 -29.1158 40.4976 12.8324 47.8291 -29.1158 47.8292 -22.6454 GPRESSAVG: 82400 51.4366 40.5038 -29.6814 38.7699 12.5129 47.632 -30.6321 49.7119 -22.2888 TIMING: 82400 CPU: 245.687, 0.00297528/step Wall: 245.687, 0.00297528/step, 4.06423 hours remaining, 199.054688 MB of memory in use. ENERGY: 82400 767.7790 2116.9570 1948.5896 119.5793 -206334.7830 17693.6166 0.0000 0.0000 34267.7925 -149420.4690 299.2692 -183688.2615 -149322.0370 299.0288 -94.9174 -64.2881 557291.0450 13.8485 13.8869 PRESSURE: 82600 151.958 140.192 85.0467 140.192 128.227 3.78823 85.0483 3.78838 -77.206 GPRESSURE: 82600 239.929 223.717 33.919 15.23 94.5428 112.653 162.507 -34.4306 -42.3644 PRESSAVG: 82600 81.2752 -42.0163 20.5849 -42.0163 -67.6174 -3.01807 20.5849 -3.01806 -23.7606 GPRESSAVG: 82600 82.8803 -41.786 19.852 -41.0451 -67.5175 -4.43655 22.3151 -4.33701 -24.8863 TIMING: 82600 CPU: 246.282, 0.0029739/step Wall: 246.282, 0.0029739/step, 4.06218 hours remaining, 199.054688 MB of memory in use. ENERGY: 82600 706.0514 2123.0721 1938.9466 107.8232 -206295.4690 17745.1734 0.0000 0.0000 34203.2722 -149471.1301 298.7057 -183674.4023 -149364.6343 299.1730 67.6597 97.3692 556774.9638 -3.3676 -3.1745 PRESSURE: 82800 -281.74 -39.9948 -28.2473 -39.9947 -24.6836 145.472 -28.2471 145.471 -236.881 GPRESSURE: 82800 -249.766 -159.935 8.45787 -3.46703 -48.6994 18.9829 -59.6666 193.328 -173.199 PRESSAVG: 82800 -32.5938 29.8254 -17.1618 29.8253 -0.562477 -47.6821 -17.1618 -47.6822 43.1527 GPRESSAVG: 82800 -33.3678 30.4104 -17.2018 28.1135 -0.900454 -47.0308 -18.5939 -46.6999 44.2583 TIMING: 82800 CPU: 246.883, 0.00300602/step Wall: 246.883, 0.00300602/step, 4.10589 hours remaining, 199.054688 MB of memory in use. ENERGY: 82800 719.7494 2068.6982 1956.9846 116.8997 -205866.2630 17505.3211 0.0000 0.0000 33991.6283 -149506.9816 296.8573 -183498.6099 -149409.1733 298.8299 -181.1015 -157.2216 556812.8767 3.3322 3.3300 PRESSURE: 83000 25.5687 104.017 43.2162 104.018 197.678 14.3141 43.2167 14.3151 -268.373 GPRESSURE: 83000 37.3745 45.1558 49.6001 232.096 283.654 -3.60547 45.1206 -18.8257 -271.185 PRESSAVG: 83000 -3.02707 -13.4992 18.7128 -13.4992 5.81681 37.7453 18.7128 37.7454 2.85934 GPRESSAVG: 83000 -3.66476 -13.5576 20.1899 -12.8377 5.83875 38.6752 19.6882 35.98 3.53397 TIMING: 83000 CPU: 247.482, 0.00299264/step Wall: 247.482, 0.00299264/step, 4.08745 hours remaining, 199.054688 MB of memory in use. ENERGY: 83000 718.8035 2060.5445 1945.8743 111.8646 -206353.6046 17706.8651 0.0000 0.0000 34338.8092 -149470.8435 299.8894 -183809.6527 -149377.2275 298.3687 -15.0422 16.6144 556209.8937 1.8830 1.9027 PRESSURE: 83200 -141.97 -95.6789 68.4657 -95.6798 123.049 85.6614 68.4658 85.6624 6.08428 GPRESSURE: 83200 -127.427 72.1636 -11.2572 -119.817 204.572 139.236 145.047 123.108 -1.77091 PRESSAVG: 83200 -21.9042 -13.0885 -7.97637 -13.0886 41.9899 29.6033 -7.97643 29.6035 3.91924 GPRESSAVG: 83200 -22.1968 -12.0065 -10.4384 -13.5912 43.8675 25.5811 -7.92241 32.1243 2.13523 TIMING: 83200 CPU: 248.08, 0.00299189/step Wall: 248.08, 0.00299189/step, 4.08626 hours remaining, 199.054688 MB of memory in use. ENERGY: 83200 738.7752 2084.4564 1965.9182 113.2553 -206098.4904 17629.7126 0.0000 0.0000 34280.7674 -149285.6053 299.3825 -183566.3727 -149182.7420 298.6238 -4.2792 25.1248 555236.3775 8.0016 7.9353 PRESSURE: 83400 -114.624 -65.2797 48.4347 -65.2801 116.692 -100.725 48.4346 -100.723 157.838 GPRESSURE: 83400 -117.503 21.1544 47.0215 -123.664 183.443 -106.884 39.7701 -148.297 198.989 PRESSAVG: 83400 4.38011 -10.0556 -5.65743 -10.0557 21.4143 50.8894 -5.65747 50.8893 -35.9029 GPRESSAVG: 83400 5.23753 -9.80272 -3.90297 -10.5532 19.3901 54.7296 -5.06173 50.2251 -34.9561 TIMING: 83400 CPU: 248.677, 0.00298183/step Wall: 248.677, 0.00298183/step, 4.07235 hours remaining, 199.054688 MB of memory in use. ENERGY: 83400 724.6959 2100.5132 1921.4487 106.6480 -206299.8589 17905.6621 0.0000 0.0000 34431.1328 -149109.7583 300.6956 -183540.8911 -149012.9210 299.9991 53.3017 88.3097 556001.4473 -3.3695 -3.4428 PRESSURE: 83600 -180.772 285.452 -131.616 285.45 39.3368 25.8718 -131.616 25.873 -79.762 GPRESSURE: 83600 -121.067 215.875 -121.474 278.841 64.3472 -21.0223 -65.9828 142.292 -71.983 PRESSAVG: 83600 -68.6955 49.7143 -44.8571 49.7143 86.9014 -3.66513 -44.8571 -3.6651 -15.6938 GPRESSAVG: 83600 -68.9769 49.3717 -44.4951 50.0969 87.0195 -5.75857 -43.965 -1.20627 -15.5395 TIMING: 83600 CPU: 249.27, 0.00296564/step Wall: 249.27, 0.00296564/step, 4.05008 hours remaining, 199.054688 MB of memory in use. ENERGY: 83600 777.8835 2081.0244 1932.5640 98.5825 -206047.0026 17624.4047 0.0000 0.0000 34422.6001 -149109.9434 300.6211 -183532.5436 -149013.3120 299.3059 -73.7325 -42.9008 556601.4507 0.8374 0.8344 PRESSURE: 83800 -360.249 -0.577745 38.4375 -0.57846 -181.84 -71.6502 38.4367 -71.6485 -355.061 GPRESSURE: 83800 -311.198 -44.6069 45.9359 4.2509 -142.583 17.192 18.9298 -44.335 -341.892 PRESSAVG: 83800 1.60731 17.2636 -40.3796 17.2636 47.6186 9.72349 -40.3796 9.7235 -68.2123 GPRESSAVG: 83800 2.1888 16.715 -42.2167 17.7378 47.0721 10.0816 -41.6482 9.48649 -68.2426 TIMING: 83800 CPU: 249.862, 0.00296244/step Wall: 249.862, 0.00296244/step, 4.04554 hours remaining, 199.054688 MB of memory in use. ENERGY: 83800 784.7053 2041.4797 1931.4835 109.9513 -205348.6580 17269.7995 0.0000 0.0000 34224.0990 -148987.1398 298.8876 -183211.2388 -148889.6779 299.8060 -299.0498 -265.2246 557669.5594 -6.3288 -6.3272 PRESSURE: 84000 176.022 -57.4772 57.5092 -57.4766 6.2137 -70.1371 57.51 -70.1377 -172.381 GPRESSURE: 84000 241.515 -31.0663 57.7304 -15.735 15.0693 -40.7675 -14.3905 -47.8899 -138.799 PRESSAVG: 84000 -19.38 -16.5451 5.15709 -16.5452 -8.67506 -14.7073 5.15709 -14.7073 57.9366 GPRESSAVG: 84000 -20.2512 -16.3352 6.16081 -15.4105 -7.06819 -14.9837 4.77569 -15.6474 57.4563 TIMING: 84000 CPU: 250.451, 0.00294577/step Wall: 250.451, 0.00294577/step, 4.02262 hours remaining, 199.054688 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: 84000 721.5900 2076.8103 1944.4273 113.3069 -205958.1891 17681.8192 0.0000 0.0000 34437.2799 -148982.9556 300.7493 -183420.2355 -148885.9343 299.5566 3.2849 39.2618 556852.6170 9.9605 10.0456 PRESSURE: 84200 -358.761 3.38638 -53.2804 3.38575 90.2694 198.566 -53.2804 198.564 -44.47 GPRESSURE: 84200 -309.721 24.0728 -113.153 -19.5854 136.356 150.554 -119.658 144.444 -42.5569 PRESSAVG: 84200 13.7125 27.2593 -11.2013 27.2592 16.6045 -1.46435 -11.2012 -1.46438 -48.3278 GPRESSAVG: 84200 13.2983 28.3413 -11.3115 27.5791 16.1451 -0.0715659 -11.4382 -3.50966 -48.2509 TIMING: 84200 CPU: 251.041, 0.00294679/step Wall: 251.041, 0.00294679/step, 4.02384 hours remaining, 199.054688 MB of memory in use. ENERGY: 84200 781.3202 2103.7732 1951.5148 114.6019 -205877.3092 17535.6666 0.0000 0.0000 34385.5476 -149004.8848 300.2975 -183390.4324 -148907.0355 299.9511 -104.3206 -71.9739 557476.7521 -6.0036 -6.2692 LDB: ============= START OF LOAD BALANCING ============== 254.553 LDB: ============== END OF LOAD BALANCING =============== 254.553 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 254.554 LDB: ============= START OF LOAD BALANCING ============== 254.849 LDB: Largest compute 4773 load 0.031529 is 26.8% of average load 0.117665 LDB: Average compute 0.001732 is 1.5% of average load 0.117665 LDB: TIME 254.852 LOAD: AVG 0.117665 MAX 0.204083 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 198.961 MB LDB: TIME 254.852 LOAD: AVG 0.117665 MAX 0.204083 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.031 MB LDB: TIME 254.852 LOAD: AVG 0.117665 MAX 0.204083 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.031 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 254.854 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 254.858 PRESSURE: 84400 -123.259 62.9154 96.6232 62.9155 -205.202 -213.692 96.6236 -213.692 250.332 GPRESSURE: 84400 -108.58 -50.6496 163.005 95.1199 -155.058 -188.915 62.0277 -228.483 274.171 PRESSAVG: 84400 -70.4232 -14.5288 8.01692 -14.5288 14.5296 -18.7897 8.01688 -18.7897 78.2642 GPRESSAVG: 84400 -69.5258 -16.9316 7.11625 -15.2063 13.8187 -18.7027 7.78174 -18.9505 77.8126 TIMING: 84400 CPU: 251.642, 0.00300422/step Wall: 251.642, 0.00300422/step, 4.1021 hours remaining, 200.253906 MB of memory in use. ENERGY: 84400 729.8995 2079.2392 1963.4284 115.3708 -205902.6885 17728.8490 0.0000 0.0000 34474.1158 -148811.7858 301.0710 -183285.9015 -148721.4014 300.1948 -26.0429 3.5112 557306.4289 7.4569 7.3685 PRESSURE: 84600 -63.5939 49.9716 -143.756 49.9719 49.0913 128.27 -143.756 128.27 -253.968 GPRESSURE: 84600 -22.6577 125.667 -188.417 70.8665 54.8786 258.195 -185.965 53.0017 -214.714 PRESSAVG: 84600 14.0062 -21.0402 -42.3623 -21.0402 -34.9438 -17.1012 -42.3623 -17.1012 19.6491 GPRESSAVG: 84600 13.5515 -18.1226 -41.6971 -24.0919 -34.2602 -16.1164 -40.1925 -16.1302 19.1518 TIMING: 84600 CPU: 252.232, 0.00295378/step Wall: 252.232, 0.00295378/step, 4.03306 hours remaining, 200.757812 MB of memory in use. ENERGY: 84600 768.2646 2061.3641 1945.3852 119.5496 -205852.4798 17619.0394 0.0000 0.0000 34474.7909 -148864.0861 301.0769 -183338.8770 -148764.7597 300.0591 -89.4901 -60.8309 557942.6344 -0.4295 -0.5190 PRESSURE: 84800 -64.5211 176.963 61.7406 176.963 175.462 -87.4931 61.7405 -87.4926 -80.4542 GPRESSURE: 84800 -38.4108 108.189 58.9436 166.625 248.783 -128.968 48.6426 -67.5451 -88.2994 PRESSAVG: 84800 -21.9302 -5.25429 17.5382 -5.25434 34.8958 2.82727 17.5382 2.82729 28.4928 GPRESSAVG: 84800 -22.2743 -8.09385 14.4625 -1.74394 34.1987 0.837492 18.8658 2.1532 29.7091 TIMING: 84800 CPU: 252.827, 0.00297554/step Wall: 252.827, 0.00297554/step, 4.0626 hours remaining, 200.757812 MB of memory in use. ENERGY: 84800 737.0192 2064.3842 1952.6402 125.2361 -206216.8577 17916.8953 0.0000 0.0000 34437.3788 -148983.3038 300.7502 -183420.6826 -148885.4044 300.4775 10.1623 40.6908 556905.2339 13.8195 13.8778 PRESSURE: 85000 -44.2158 -48.7265 133.097 -48.7274 -157.992 100.69 133.097 100.69 -258.38 GPRESSURE: 85000 18.8829 -56.1206 153.926 -36.2941 -117.314 48.6461 207.889 76.1404 -275.41 PRESSAVG: 85000 9.27019 6.6088 10.7272 6.60887 -23.1803 -27.0807 10.7272 -27.0806 -23.3917 GPRESSAVG: 85000 9.33187 10.0702 13.0924 4.1999 -21.3265 -25.9933 10.5765 -27.1926 -25.1148 TIMING: 85000 CPU: 253.419, 0.00295671/step Wall: 253.419, 0.00295671/step, 4.03673 hours remaining, 200.757812 MB of memory in use. ENERGY: 85000 746.7083 2074.1911 1951.2986 114.2134 -205689.1167 17635.7126 0.0000 0.0000 34289.8738 -148877.1189 299.4620 -183166.9927 -148779.8394 300.0646 -153.5293 -124.6137 560613.6164 -12.4339 -12.3698 PRESSURE: 85200 -377.53 54.072 -48.4434 54.0721 -205.655 233.712 -48.4434 233.713 235.415 GPRESSURE: 85200 -343.974 123.04 11.1311 18.9223 -168.534 269.253 -127.301 175.349 253.706 PRESSAVG: 85200 -56.7327 7.03166 14.6948 7.0317 -2.2515 -2.97877 14.6947 -2.9789 65.7199 GPRESSAVG: 85200 -56.9451 4.75682 15.2233 7.9815 -1.98323 -4.30576 11.3218 -1.25416 65.3498 TIMING: 85200 CPU: 254.013, 0.00297121/step Wall: 254.013, 0.00297121/step, 4.05636 hours remaining, 200.863281 MB of memory in use. ENERGY: 85200 731.7606 2089.5916 1951.4254 116.6035 -205759.3263 17593.3317 0.0000 0.0000 34407.7566 -148868.8570 300.4915 -183276.6136 -148764.7543 300.4319 -115.9235 -86.2672 558548.7377 2.2452 2.1405 PRESSURE: 85400 82.2384 87.0252 -157.572 87.0262 -165.827 64.3425 -157.573 64.3431 -144.316 GPRESSURE: 85400 82.0638 -4.69207 -66.1422 55.5583 -145.558 49.6211 -137.507 24.3621 -64.3765 PRESSAVG: 85400 -31.9791 -42.7147 -32.633 -42.7148 -53.6421 16.9268 -32.6329 16.9268 55.664 GPRESSAVG: 85400 -33.9584 -42.0416 -31.9715 -42.8013 -54.052 17.2778 -30.3809 17.1377 58.3567 TIMING: 85400 CPU: 254.61, 0.00298729/step Wall: 254.61, 0.00298729/step, 4.07814 hours remaining, 200.863281 MB of memory in use. ENERGY: 85400 767.0317 2120.7520 1941.8725 125.7664 -206050.2648 17873.7072 0.0000 0.0000 34280.8725 -148940.2624 299.3834 -183221.1349 -148849.4315 300.3714 -75.9681 -42.6237 558408.5351 -9.9857 -9.8846 PRESSURE: 85600 -167.512 252.461 7.12473 252.46 112.16 94.9049 7.12527 94.9049 -28.8126 GPRESSURE: 85600 -111.709 203.447 21.179 223.806 98.8835 108.496 22.0471 61.6794 13.7487 PRESSAVG: 85600 41.5689 -0.0172093 -12.7365 -0.0171631 -25.0576 23.4365 -12.7366 23.4366 -6.2517 GPRESSAVG: 85600 43.9122 -0.351473 -12.676 -0.351821 -26.5778 24.413 -14.0758 21.438 -6.9623 TIMING: 85600 CPU: 255.208, 0.00298628/step Wall: 255.208, 0.00298628/step, 4.07661 hours remaining, 200.863281 MB of memory in use. ENERGY: 85600 787.4516 2088.5245 1932.7809 115.9348 -206054.1894 17874.9137 0.0000 0.0000 34308.2851 -148946.2987 299.6228 -183254.5838 -148845.3680 300.0592 -28.0548 0.3079 557614.1034 3.4199 3.4574 PRESSURE: 85800 18.7712 167.548 -46.5098 167.549 92.7719 -1.26364 -46.5092 -1.26359 94.0478 GPRESSURE: 85800 55.4283 120.872 -109.252 123.561 92.4286 -68.983 -10.3265 -15.8467 154.51 PRESSAVG: 85800 16.2674 39.1067 38.423 39.1067 -33.309 34.1593 38.423 34.1593 -15.5749 GPRESSAVG: 85800 14.2385 39.4855 38.3318 39.6114 -31.8918 34.5144 37.9974 36.0867 -14.8067 TIMING: 85800 CPU: 255.807, 0.00299516/step Wall: 255.807, 0.00299516/step, 4.08856 hours remaining, 200.863281 MB of memory in use. ENERGY: 85800 730.4757 2084.7167 1930.2180 97.4115 -206029.1252 17817.5215 0.0000 0.0000 34309.1727 -149059.6091 299.6305 -183368.7818 -148964.1757 299.9158 68.5303 100.7890 557758.3241 -10.8721 -10.8200 PRESSURE: 86000 6.73859 42.1881 23.0148 42.1876 -159.768 70.679 23.0177 70.6786 -235.054 GPRESSURE: 86000 49.5704 81.8998 94.2044 60.6409 -132.184 53.5487 -8.80472 100.193 -200.087 PRESSAVG: 86000 55.4778 25.2676 -28.0112 25.2677 -7.99205 1.37377 -28.011 1.37372 -16.6436 GPRESSAVG: 86000 56.099 23.3978 -28.055 26.3706 -7.89447 1.05574 -28.7177 0.927339 -17.2845 TIMING: 86000 CPU: 256.406, 0.00299854/step Wall: 256.406, 0.00299854/step, 4.093 hours remaining, 200.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 86000 796.0851 2046.2603 1962.9956 116.0227 -205766.9175 17516.2945 0.0000 0.0000 34349.0815 -148980.1778 299.9791 -183329.2594 -148890.4562 300.5320 -129.3610 -94.2334 556045.0326 10.2807 10.3067 PRESSURE: 86200 49.8867 -170.127 -34.8137 -170.126 217.289 50.1865 -34.8148 50.1887 128.193 GPRESSURE: 86200 67.6227 -208.684 -13.2097 -156.163 227.773 91.3224 63.4762 -27.1894 195.234 PRESSAVG: 86200 -53.3997 7.69571 -21.9683 7.69572 67.551 8.28846 -21.9683 8.28857 -67.9407 GPRESSAVG: 86200 -52.3569 7.56225 -21.0584 8.39882 67.618 5.89392 -19.9303 7.3367 -68.8153 TIMING: 86200 CPU: 257.012, 0.00302598/step Wall: 257.012, 0.00302597/step, 4.13029 hours remaining, 200.863281 MB of memory in use. ENERGY: 86200 752.3128 2110.3153 1950.7033 121.8695 -205986.5397 17890.4385 0.0000 0.0000 34456.3294 -148704.5709 300.9157 -183160.9003 -148607.0635 300.6981 131.7896 163.5433 556790.2582 -17.9298 -17.8514 PRESSURE: 86400 137.061 28.7824 -44.4703 28.7837 127.339 112.599 -44.4706 112.6 41.5839 GPRESSURE: 86400 186.25 -57.8415 43.7058 74.4742 99.5571 120.896 -79.528 164.431 116.385 PRESSAVG: 86400 -31.1255 30.2372 1.12393 30.2372 39.356 -25.8799 1.12393 -25.8799 39.586 GPRESSAVG: 86400 -30.8469 30.9821 1.2736 29.3904 38.6894 -25.1594 -1.1881 -23.9861 40.3553 TIMING: 86400 CPU: 257.611, 0.00299936/step Wall: 257.611, 0.00299936/step, 4.0938 hours remaining, 200.863281 MB of memory in use. ENERGY: 86400 777.7014 2085.0584 1920.0994 105.5718 -206094.6316 17872.1452 0.0000 0.0000 34461.0911 -148872.9644 300.9573 -183334.0555 -148777.0121 301.0671 101.9948 134.0641 556904.2777 15.9388 16.0659 PRESSURE: 86600 -294.2 66.788 -147.569 66.7885 -226.223 -18.579 -147.568 -18.5786 -239.18 GPRESSURE: 86600 -270.953 72.3572 -231.075 133.448 -194.216 22.7759 -136.967 -50.2915 -207.03 PRESSAVG: 86600 57.127 23.8588 15.2328 23.8588 -44.8174 -34.5407 15.2327 -34.5408 19.1018 GPRESSAVG: 86600 57.4681 25.351 13.025 24.1502 -42.9587 -35.2712 19.0265 -34.0796 17.2531 TIMING: 86600 CPU: 258.208, 0.00298307/step Wall: 258.208, 0.00298307/step, 4.0714 hours remaining, 200.863281 MB of memory in use. ENERGY: 86600 777.2601 2064.1505 1969.6924 127.1958 -205909.9637 17503.4366 0.0000 0.0000 34391.0779 -149077.1504 300.3458 -183468.2283 -148975.9075 300.2509 -253.2008 -224.0662 557908.0386 10.4704 10.5875 PRESSURE: 86800 27.9279 9.26855 -205.868 9.26941 -127.049 21.6824 -205.867 21.6828 270.433 GPRESSURE: 86800 80.5355 19.0616 -185.834 86.8614 -85.5858 23.2784 -213.841 12.175 274.802 PRESSAVG: 86800 2.44677 -4.61419 16.7556 -4.61411 -15.7289 -49.4847 16.7556 -49.4847 0.289703 GPRESSAVG: 86800 2.21736 -4.48872 15.7619 -4.05245 -17.6762 -49.7662 15.2312 -51.7496 2.37509 TIMING: 86800 CPU: 258.805, 0.00298606/step Wall: 258.805, 0.00298606/step, 4.07531 hours remaining, 200.863281 MB of memory in use. ENERGY: 86800 729.3722 2096.1878 1938.7749 118.8595 -205953.0624 17847.5792 0.0000 0.0000 34313.1356 -148909.1532 299.6651 -183222.2888 -148812.6196 300.1297 57.1038 89.9174 557609.6698 -4.3308 -4.3612 PRESSURE: 87000 21.8187 117.536 -65.1624 117.536 153.001 -74.5672 -65.1639 -74.5671 175.241 GPRESSURE: 87000 104.581 177.798 -72.6574 63.4489 156.694 -82.2252 -48.3559 -24.0404 171.451 PRESSAVG: 87000 26.8276 21.188 -31.1763 21.1879 2.31627 56.2698 -31.1764 56.2699 21.91 GPRESSAVG: 87000 26.8996 20.5664 -29.6502 21.6277 2.85765 57.1531 -32.0898 56.9197 21.4116 TIMING: 87000 CPU: 259.407, 0.00300591/step Wall: 259.407, 0.00300591/step, 4.10224 hours remaining, 200.863281 MB of memory in use. ENERGY: 87000 753.9298 2113.9502 1937.7851 108.1792 -205802.1582 17724.3048 0.0000 0.0000 34168.0647 -148995.9444 298.3982 -183164.0092 -148897.4971 300.2971 116.6870 144.2421 556903.1205 17.0180 17.0563 PRESSURE: 87200 -228.198 -42.2342 -15.0814 -42.2346 3.39931 -51.2634 -15.0822 -51.2632 -109.741 GPRESSURE: 87200 -177.762 -52.2143 57.7365 -85.8648 64.9827 -31.3024 -2.86515 -86.4715 -124.028 PRESSAVG: 87200 -38.7373 10.4699 -54.3361 10.47 -9.27776 -69.2279 -54.3361 -69.2279 77.7399 GPRESSAVG: 87200 -40.186 8.71373 -52.8211 10.5845 -9.44209 -70.0895 -53.8967 -68.0008 79.8588 TIMING: 87200 CPU: 260.018, 0.0030561/step Wall: 260.018, 0.0030561/step, 4.17056 hours remaining, 200.863281 MB of memory in use. ENERGY: 87200 712.3759 2075.9213 1921.7560 112.9900 -205642.8786 17467.8139 0.0000 0.0000 34308.4936 -149043.5280 299.6246 -183352.0216 -148955.0000 299.6761 -111.5132 -78.9356 555995.3289 9.9083 10.0769 PRESSURE: 87400 -273.175 169.695 -164.315 169.695 9.97476 -145.45 -164.314 -145.452 -86.1936 GPRESSURE: 87400 -231.129 181.219 -184.945 177.315 1.85589 -87.6877 -186.337 -103.428 -31.446 PRESSAVG: 87400 19.0362 17.306 -80.3795 17.3061 -12.742 -19.7962 -80.3796 -19.7962 -23.8361 GPRESSAVG: 87400 19.6682 19.7065 -81.623 16.115 -12.2684 -18.7918 -80.4509 -20.6016 -24.8363 TIMING: 87400 CPU: 260.623, 0.00302405/step Wall: 260.623, 0.00302405/step, 4.12665 hours remaining, 200.863281 MB of memory in use. ENERGY: 87400 733.8025 2059.5761 1965.4814 114.0103 -206034.2621 17569.4819 0.0000 0.0000 34207.5676 -149384.3421 298.7432 -183591.9098 -149287.7685 299.3991 -116.4645 -86.9064 558335.3455 -5.8473 -5.8121 PRESSURE: 87600 -195.398 -13.43 -43.7966 -13.4309 -81.05 -19.3388 -43.7957 -19.3386 37.595 GPRESSURE: 87600 -110.462 29.4022 -77.1123 12.3311 -86.3114 15.0387 -83.4685 2.22486 75.0279 PRESSAVG: 87600 1.06254 -11.7173 12.2431 -11.7174 -18.8543 -30.5818 12.243 -30.5818 19.8092 GPRESSAVG: 87600 1.76404 -11.1352 11.6022 -11.6416 -18.9202 -30.3053 12.9678 -31.0361 19.5109 TIMING: 87600 CPU: 261.221, 0.00299057/step Wall: 261.221, 0.00299057/step, 4.08079 hours remaining, 200.863281 MB of memory in use. ENERGY: 87600 787.8044 2038.9096 1940.9572 123.8240 -206361.7320 17857.9121 0.0000 0.0000 34362.0196 -149250.3051 300.0921 -183612.3247 -149154.0154 299.1926 -79.6177 -40.5817 557972.7699 0.6725 0.7849 PRESSURE: 87800 223.624 247.432 -30.7808 247.433 -58.7307 30.3119 -30.7816 30.3111 -281.335 GPRESSURE: 87800 223.892 251.503 -29.6615 260.949 -34.2769 -5.69904 -25.4255 46.1464 -212.19 PRESSAVG: 87800 15.1517 31.5238 -11.7535 31.5238 10.5361 -13.0836 -11.7535 -13.0837 -2.32528 GPRESSAVG: 87800 13.8322 30.9492 -12.5983 32.9034 10.7826 -13.7344 -10.873 -13.2605 -1.30238 TIMING: 87800 CPU: 261.821, 0.00300386/step Wall: 261.821, 0.00300386/step, 4.09876 hours remaining, 200.863281 MB of memory in use. ENERGY: 87800 709.8517 2089.1636 1944.5848 120.2385 -205915.3837 17778.9693 0.0000 0.0000 34067.7706 -149204.8052 297.5223 -183272.5758 -149106.8642 298.9998 -38.8137 -7.5251 559345.1270 7.7875 7.7708 PRESSURE: 88000 379.481 178.407 -282.299 178.407 -82.8617 27.6267 -282.298 27.6271 332.004 GPRESSURE: 88000 362.959 165.059 -302.653 148.404 19.9701 -26.8228 -224.48 76.3928 354.045 PRESSAVG: 88000 11.1351 19.4887 -55.471 19.4886 -6.48958 1.7153 -55.4709 1.71535 24.5588 GPRESSAVG: 88000 11.5476 18.0826 -54.8874 20.7091 -5.94005 3.8253 -56.9794 0.265937 22.851 TIMING: 88000 CPU: 262.411, 0.0029461/step Wall: 262.411, 0.0029461/step, 4.0198 hours remaining, 200.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 88000 696.4984 2007.4424 1905.1861 109.6687 -206217.4959 18047.5211 0.0000 0.0000 34216.0987 -149235.0806 298.8177 -183451.1792 -149145.1079 299.4511 209.5412 245.6582 556820.6173 9.7348 9.4862 PRESSURE: 88200 -96.0083 78.6745 -102.703 78.6743 -89.2297 22.9378 -102.703 22.9382 -178.396 GPRESSURE: 88200 -103.832 43.0068 -37.8363 58.4251 -61.9554 43.1949 -61.9369 -0.188038 -105.729 PRESSAVG: 88200 -0.340633 -4.56364 -12.4145 -4.56367 -1.71246 -3.65758 -12.4146 -3.65763 25.8748 GPRESSAVG: 88200 -1.28941 -1.85927 -11.936 -7.09828 -1.49513 -4.28378 -11.8772 -3.44415 27.3852 TIMING: 88200 CPU: 263.007, 0.002984/step Wall: 263.007, 0.002984/step, 4.07134 hours remaining, 200.863281 MB of memory in use. ENERGY: 88200 728.2371 2066.6055 1952.3196 112.3167 -206344.5362 17809.2259 0.0000 0.0000 34212.7325 -149463.0989 298.7883 -183675.8314 -149365.6973 299.1139 -121.2114 -90.5054 558110.9606 7.9406 8.2002 LDB: ============= START OF LOAD BALANCING ============== 266.524 LDB: ============== END OF LOAD BALANCING =============== 266.524 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 266.525 LDB: ============= START OF LOAD BALANCING ============== 266.828 LDB: Largest compute 4773 load 0.032032 is 27.2% of average load 0.117747 LDB: Average compute 0.001738 is 1.5% of average load 0.117747 LDB: TIME 266.831 LOAD: AVG 0.117747 MAX 0.210014 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 201.012 MB LDB: TIME 266.831 LOAD: AVG 0.117747 MAX 0.210014 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 201.223 MB LDB: TIME 266.831 LOAD: AVG 0.117747 MAX 0.210014 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 201.223 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 266.833 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 266.837 PRESSURE: 88400 -92.0127 -94.7557 -13.5182 -94.756 -200.384 77.0726 -13.5176 77.0732 -199.834 GPRESSURE: 88400 38.4251 -132.991 -106.404 -75.6571 -210.304 -38.1367 -45.4131 49.5265 -233.812 PRESSAVG: 88400 -15.8651 -28.584 -22.7825 -28.584 -19.4094 4.81547 -22.7825 4.81556 23.4826 GPRESSAVG: 88400 -15.1819 -29.9846 -24.2144 -27.1239 -19.2114 3.8041 -21.1703 5.38095 22.5727 TIMING: 88400 CPU: 263.62, 0.00306434/step Wall: 263.62, 0.00306434/step, 4.18078 hours remaining, 199.222656 MB of memory in use. ENERGY: 88400 713.8847 2102.3170 1934.5461 108.0669 -206113.3288 17694.1697 0.0000 0.0000 34259.5833 -149300.7611 299.1975 -183560.3445 -149207.1444 299.0723 -164.0769 -135.2304 558178.4101 -3.9306 -3.9402 PRESSURE: 88600 43.617 120.723 78.7809 120.723 -138.348 -51.7042 78.7796 -51.7023 -83.4526 GPRESSURE: 88600 55.3896 107.407 73.8171 34.1189 -129.698 -23.1266 98.9233 -55.1388 -22.5916 PRESSAVG: 88600 -87.6404 -34.8497 -55.9987 -34.8497 77.877 -38.9866 -55.9987 -38.9865 14.0771 GPRESSAVG: 88600 -87.2473 -36.8927 -53.4188 -32.9337 76.1421 -40.249 -59.0784 -37.4503 14.7388 TIMING: 88600 CPU: 264.218, 0.00298962/step Wall: 264.218, 0.00298962/step, 4.07867 hours remaining, 199.519531 MB of memory in use. ENERGY: 88600 774.8483 2114.9232 1948.3521 105.4357 -206233.6044 17807.3483 0.0000 0.0000 34118.9207 -149363.7762 297.9690 -183482.6969 -149277.4717 299.2175 -59.3945 -32.3000 557657.5217 1.4379 1.2112 PRESSURE: 88800 -71.8885 42.6748 60.8883 42.673 -448.753 -76.1715 60.8889 -76.1708 -220.33 GPRESSURE: 88800 -129.192 141.941 116.599 -56.8083 -335.679 -46.0795 55.6008 -1.95215 -168.467 PRESSAVG: 88800 68.4057 -44.5538 11.4553 -44.5539 -55.9353 1.86726 11.4552 1.86728 -4.03283 GPRESSAVG: 88800 66.3779 -41.3165 11.9692 -47.8549 -53.0533 1.72819 9.16088 0.999115 -4.63627 TIMING: 88800 CPU: 264.818, 0.0029974/step Wall: 264.818, 0.0029974/step, 4.08912 hours remaining, 199.519531 MB of memory in use. ENERGY: 88800 746.9042 2069.6996 1969.2753 114.6044 -205952.9040 17485.7687 0.0000 0.0000 34221.7269 -149344.9249 298.8669 -183566.6518 -149249.3544 298.5514 -246.9905 -211.1127 558059.1521 2.8125 2.8961 PRESSURE: 89000 -73.459 52.7423 158.59 52.7424 -300.047 -14.3652 158.591 -14.3664 -138.938 GPRESSURE: 89000 -38.6199 -54.2371 150.566 155.387 -263.507 12.0651 133.439 -95.1055 -112.734 PRESSAVG: 89000 7.88435 7.29469 8.97442 7.29465 -44.3518 -31.6687 8.97441 -31.6686 51.9691 GPRESSAVG: 89000 9.54831 5.4603 7.98211 8.22449 -45.7572 -30.4653 12.7165 -32.2039 51.8248 TIMING: 89000 CPU: 265.417, 0.00299488/step Wall: 265.417, 0.00299488/step, 4.08552 hours remaining, 199.519531 MB of memory in use. ENERGY: 89000 721.7078 2070.8009 1931.6833 111.3606 -205936.2469 17560.0143 0.0000 0.0000 34186.2555 -149354.4247 298.5571 -183540.6802 -149258.8189 298.9437 -170.8149 -138.2872 558178.4424 5.1672 5.2053 PRESSURE: 89200 69.107 -52.6283 -111.222 -52.6289 252.146 -39.4903 -111.223 -39.4909 100.443 GPRESSURE: 89200 112.385 -93.4144 -102.945 -23.3681 254.179 16.0167 -111.383 -12.6078 146.548 PRESSAVG: 89200 -72.1353 -17.4408 2.67538 -17.4408 29.2651 -20.4582 2.67533 -20.4582 31.4981 GPRESSAVG: 89200 -72.1581 -17.4943 2.35359 -17.9835 28.9277 -19.6392 1.48906 -21.6047 32.1292 TIMING: 89200 CPU: 266.013, 0.00298079/step Wall: 266.013, 0.00298079/step, 4.06613 hours remaining, 199.519531 MB of memory in use. ENERGY: 89200 699.8295 2123.6454 1919.1090 105.8442 -206653.7116 18042.6290 0.0000 0.0000 34235.5622 -149527.0924 298.9877 -183762.6546 -149434.8618 299.0555 140.5652 171.0372 556426.6511 -3.7907 -3.7004 PRESSURE: 89400 167.779 -129.382 -18.5657 -129.381 195.469 -63.9603 -18.5672 -63.9628 -49.4141 GPRESSURE: 89400 186.619 -183.012 -84.0726 -62.3994 258.805 -72.7985 -31.3452 -51.1959 -39.3215 PRESSAVG: 89400 -21.6903 -23.7866 -2.31458 -23.7866 33.548 -8.66857 -2.31463 -8.66856 -21.608 GPRESSAVG: 89400 -21.3819 -23.5539 -3.40624 -23.7836 33.6128 -9.05149 -2.01079 -8.23786 -21.5872 TIMING: 89400 CPU: 266.608, 0.00297343/step Wall: 266.608, 0.00297343/step, 4.05592 hours remaining, 199.519531 MB of memory in use. ENERGY: 89400 705.6798 2107.9377 1953.4110 114.9806 -206749.9958 17963.7315 0.0000 0.0000 34392.1348 -149512.1204 300.3551 -183904.2553 -149412.9252 299.1061 104.6113 135.3674 556172.6306 -3.2501 -3.1188 PRESSURE: 89600 142.586 17.5867 121.276 17.5881 82.4621 -115.561 121.276 -115.562 -57.1853 GPRESSURE: 89600 122.508 52.4626 25.2901 -37.9877 86.5399 -225.369 58.3052 -119.289 58.7431 PRESSAVG: 89600 -40.3101 3.75621 39.1776 3.75633 51.8892 -101.009 39.1775 -101.009 3.27252 GPRESSAVG: 89600 -40.4415 5.10146 41.5143 3.18517 52.7392 -101.831 37.7486 -99.2628 3.56054 TIMING: 89600 CPU: 267.2, 0.00296405/step Wall: 267.2, 0.00296405/step, 4.04296 hours remaining, 199.519531 MB of memory in use. ENERGY: 89600 794.3719 2036.3716 1945.1248 113.6231 -206740.5470 18117.0435 0.0000 0.0000 34241.7922 -149492.2199 299.0421 -183734.0121 -149391.0331 298.7259 55.9541 89.2636 556489.9107 4.9505 5.2861 PRESSURE: 89800 18.2698 66.3911 32.941 66.3898 125.66 -92.7469 32.9408 -92.7458 93.6396 GPRESSURE: 89800 62.1301 22.5629 26.2254 89.2685 161.904 -28.6054 29.2892 -104.769 126.332 PRESSAVG: 89800 -62.2401 11.095 -20.8857 11.0949 49.6921 -26.336 -20.8857 -26.3359 37.3868 GPRESSAVG: 89800 -62.3296 9.87329 -23.4549 11.3137 51.8524 -25.9471 -19.4824 -26.1091 36.2485 TIMING: 89800 CPU: 267.794, 0.00297015/step Wall: 267.794, 0.00297015/step, 4.05113 hours remaining, 199.519531 MB of memory in use. ENERGY: 89800 774.1508 2103.0855 1931.9707 112.8756 -206548.6933 17988.7729 0.0000 0.0000 34200.7251 -149437.1126 298.6834 -183637.8377 -149348.4685 298.9305 79.1900 116.7886 555684.9497 8.2796 8.5904 PRESSURE: 90000 -49.8296 70.2524 23.9333 70.2528 -71.2653 -16.407 23.9347 -16.4083 -273.208 GPRESSURE: 90000 -52.7413 96.6655 83.7946 -42.5659 -26.1037 19.1047 60.132 -46.6957 -229.094 PRESSAVG: 90000 -17.7521 7.23813 -8.67248 7.23815 69.7115 -7.23664 -8.67241 -7.23666 -41.5197 GPRESSAVG: 90000 -17.3945 8.11916 -6.56685 6.01911 68.4867 -6.92145 -9.01034 -9.98217 -39.9959 TIMING: 90000 CPU: 268.389, 0.0029742/step Wall: 268.389, 0.0029742/step, 4.05648 hours remaining, 199.531250 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: 90000 760.5595 2081.8275 1946.4905 117.4671 -206691.8570 17754.8425 0.0000 0.0000 34287.1369 -149743.5329 299.4381 -184030.6698 -149641.7092 298.4923 -131.4344 -102.6464 556422.2526 3.4799 3.6988 PRESSURE: 90200 77.2937 -31.2074 -56.2531 -31.207 -1.28306 145.601 -56.2527 145.601 -17.5201 GPRESSURE: 90200 109.537 26.2051 -12.9346 -80.9438 48.2188 57.7133 -48.0167 187.015 -13.2198 PRESSAVG: 90200 41.0867 -13.7487 3.98643 -13.7486 -20.2704 10.0347 3.98636 10.0347 -61.0257 GPRESSAVG: 90200 40.2419 -13.3587 1.36218 -12.4579 -19.5767 12.0706 5.60291 13.4921 -60.6601 TIMING: 90200 CPU: 268.984, 0.00297436/step Wall: 268.984, 0.00297436/step, 4.05654 hours remaining, 199.531250 MB of memory in use. ENERGY: 90200 718.2882 2099.1646 1937.3517 126.5175 -206490.2089 17855.8336 0.0000 0.0000 34033.9007 -149719.1527 297.2265 -183753.0535 -149628.7612 298.0623 19.4969 48.1787 556150.8906 -13.4031 -13.3316 PRESSURE: 90400 -286.229 78.5124 -41.373 78.5125 -245.479 -95.754 -41.3729 -95.7537 74.7058 GPRESSURE: 90400 -280.37 57.6017 -137.068 117.96 -209.438 -60.6923 -20.6841 -163.849 137.124 PRESSAVG: 90400 -6.15964 -41.8013 15.0665 -41.8012 -19.1833 -12.8123 15.0665 -12.8122 3.55682 GPRESSAVG: 90400 -5.34166 -42.4489 16.7273 -41.8518 -19.5289 -11.7727 13.1336 -16.3607 3.17012 TIMING: 90400 CPU: 269.583, 0.00299334/step Wall: 269.583, 0.00299334/step, 4.08225 hours remaining, 199.531250 MB of memory in use. ENERGY: 90400 754.6984 2024.6690 1949.7216 108.1664 -206363.5601 17722.6180 0.0000 0.0000 34190.0499 -149613.6369 298.5902 -183803.6868 -149521.5453 298.9538 -152.3343 -117.5616 557032.9137 -7.2620 -7.2335 PRESSURE: 90600 -154.01 21.3294 90.5936 21.3306 -96.1633 -93.5649 90.5942 -93.5653 -134.774 GPRESSURE: 90600 -95.8977 -58.9009 -50.2377 128.631 -111.069 -46.8334 83.4356 -109.735 -71.8812 PRESSAVG: 90600 -18.8407 7.3802 -57.2063 7.38023 -12.6782 -49.9312 -57.2064 -49.9313 58.343 GPRESSAVG: 90600 -19.3539 8.0392 -56.4485 6.78 -11.2726 -54.4932 -56.579 -48.075 58.0829 TIMING: 90600 CPU: 270.176, 0.00296648/step Wall: 270.176, 0.00296648/step, 4.04545 hours remaining, 199.531250 MB of memory in use. ENERGY: 90600 771.0976 2097.1914 1932.9715 119.4775 -206152.4948 17685.3614 0.0000 0.0000 34031.2939 -149515.1014 297.2038 -183546.3953 -149416.8896 298.4379 -128.3157 -92.9494 557339.9924 8.9414 9.1521 PRESSURE: 90800 -74.6963 135.675 18.9983 135.673 84.5829 35.5754 18.9983 35.5771 48.0054 GPRESSURE: 90800 -24.4146 149.814 86.3263 84.2717 61.0053 -18.9404 57.8868 56.5361 110.662 PRESSAVG: 90800 29.4295 70.9841 30.4685 70.9842 20.1321 -13.5164 30.4684 -13.5164 -17.8576 GPRESSAVG: 90800 30.3906 71.1475 30.2415 70.6416 18.3365 -13.1825 30.5624 -12.5985 -16.9787 TIMING: 90800 CPU: 270.768, 0.00295855/step Wall: 270.768, 0.00295855/step, 4.03447 hours remaining, 199.531250 MB of memory in use. ENERGY: 90800 695.4150 2078.5711 1971.4970 104.3912 -206361.9516 17875.3371 0.0000 0.0000 34056.8121 -149579.9280 297.4266 -183636.7402 -149482.3045 298.2605 19.2973 49.0842 555693.9971 10.5680 10.5828 PRESSURE: 91000 154.234 68.6983 -159.677 68.6978 -224.547 -294.194 -159.675 -294.195 224.469 GPRESSURE: 91000 151.933 39.0924 -151.677 172.769 -164.45 -298.413 -206.462 -299.582 259.662 PRESSAVG: 91000 -43.9778 4.61556 14.5633 4.6156 -40.7361 -21.4334 14.5633 -21.4335 58.6688 GPRESSAVG: 91000 -44.0665 2.56378 11.9225 5.70319 -39.9942 -20.998 15.5518 -22.3096 58.4574 TIMING: 91000 CPU: 271.363, 0.0029742/step Wall: 271.363, 0.0029742/step, 4.05565 hours remaining, 199.656250 MB of memory in use. ENERGY: 91000 748.8819 2076.1060 1915.0910 103.5062 -206415.9158 17761.2948 0.0000 0.0000 34108.5746 -149702.4613 297.8787 -183811.0359 -149603.8288 297.5760 51.3853 82.3815 556838.2092 -8.6817 -8.5344 PRESSURE: 91200 -109.693 49.572 -138.991 49.5718 -106.724 -172.759 -138.991 -172.758 -72.3573 GPRESSURE: 91200 -6.62549 54.2014 -55.7703 -15.7008 -102.297 -137.158 -137.983 -234.597 -93.96 PRESSAVG: 91200 71.0569 19.7712 13.0617 19.7712 -34.8604 -22.5487 13.0617 -22.5486 -46.9936 GPRESSAVG: 91200 71.2717 22.1613 16.4537 18.5496 -34.3791 -23.1231 11.2869 -20.0098 -47.1237 TIMING: 91200 CPU: 271.953, 0.00295277/step Wall: 271.953, 0.00295277/step, 4.02627 hours remaining, 199.656250 MB of memory in use. ENERGY: 91200 711.3352 2068.1774 1949.2540 107.0348 -206375.5134 17752.4161 0.0000 0.0000 34012.0608 -149775.2352 297.0358 -183787.2960 -149672.8924 297.8233 -96.2583 -67.6274 556726.9787 -3.5990 -3.4104 PRESSURE: 91400 136.272 57.8707 -87.4732 57.8709 38.1753 143.72 -87.4723 143.72 64.1931 GPRESSURE: 91400 149.4 -2.44042 -63.6719 59.6639 36.8454 109.54 -62.4343 141.087 155.512 PRESSAVG: 91400 33.7265 62.2204 -34.5662 62.2205 -43.9884 -23.1591 -34.5662 -23.1591 1.74576 GPRESSAVG: 91400 34.6221 60.9564 -37.0385 63.4119 -44.7691 -21.9506 -33.2311 -25.8793 1.22205 TIMING: 91400 CPU: 272.545, 0.00295735/step Wall: 272.545, 0.00295735/step, 4.03234 hours remaining, 199.656250 MB of memory in use. ENERGY: 91400 727.6053 2084.0815 1955.8027 128.2370 -206569.1227 17854.5448 0.0000 0.0000 34143.2176 -149675.6339 298.1812 -183818.8515 -149581.2542 298.3706 79.5468 113.9193 557235.7442 -2.8387 -2.9750 PRESSURE: 91600 -150.702 -18.4903 98.3055 -18.4924 -283.744 -114.336 98.3052 -114.336 -242.124 GPRESSURE: 91600 -151.638 15.8568 112.653 22.7187 -181.451 -130.222 77.6388 -109.209 -252.975 PRESSAVG: 91600 11.9756 -51.6754 -37.1743 -51.6754 -4.20704 -19.4373 -37.1744 -19.4373 -32.6353 GPRESSAVG: 91600 10.5297 -51.7644 -37.113 -50.2874 -3.12136 -18.0837 -39.7184 -20.4534 -31.9214 TIMING: 91600 CPU: 273.14, 0.00297543/step Wall: 273.14, 0.00297543/step, 4.05684 hours remaining, 199.656250 MB of memory in use. ENERGY: 91600 743.9673 2084.2178 1918.9148 96.5771 -206362.6529 17590.2595 0.0000 0.0000 34377.9081 -149550.8084 300.2308 -183928.7165 -149455.3389 298.5149 -225.5234 -195.3545 557301.1569 -8.2889 -8.1710 PRESSURE: 91800 -54.6904 -30.4196 -35.3078 -30.4188 -170.263 -120.992 -35.3079 -120.992 -86.7941 GPRESSURE: 91800 -7.09076 -45.4505 -42.5729 -35.9884 -174.73 -230 39.5008 -42.3263 -35.2354 PRESSAVG: 91800 59.4486 -54.1763 7.32792 -54.1763 12.2844 20.0549 7.32803 20.0549 -69.2813 GPRESSAVG: 91800 59.9928 -52.5453 7.59102 -55.5204 11.8382 17.5431 9.74187 22.1026 -69.4735 TIMING: 91800 CPU: 273.735, 0.00297531/step Wall: 273.735, 0.00297531/step, 4.05651 hours remaining, 199.656250 MB of memory in use. ENERGY: 91800 739.1449 2051.1188 1972.4224 118.2076 -206515.4499 17691.0206 0.0000 0.0000 34319.6674 -149623.8682 299.7222 -183943.5355 -149533.5951 298.4335 -103.9158 -72.3520 556818.8087 0.8172 0.7858 PRESSURE: 92000 95.5977 -75.4387 -84.9231 -75.4385 -142.219 14.9779 -84.9219 14.978 -343.82 GPRESSURE: 92000 74.8537 -164.95 -21.0981 55.3343 -111.11 6.064 -104.726 77.7338 -259.363 PRESSAVG: 92000 62.3378 -1.98294 13.276 -1.98293 31.8603 4.46236 13.2761 4.4623 -80.0521 GPRESSAVG: 92000 62.4191 -3.11485 15.4411 -2.51036 32.4754 6.21487 10.8116 2.14955 -80.49 TIMING: 92000 CPU: 274.331, 0.00298325/step Wall: 274.331, 0.00298325/step, 4.06717 hours remaining, 199.656250 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: 92000 776.0294 2073.0762 1929.2702 116.2772 -206567.4416 17743.4561 0.0000 0.0000 34179.4455 -149749.8870 298.4976 -183929.3324 -149660.7355 298.2402 -130.1472 -98.5397 557306.0969 4.7153 4.8015 PRESSURE: 92200 355.618 74.993 133.095 74.9927 82.9715 77.0488 133.095 77.0496 264.436 GPRESSURE: 92200 381.217 19.386 64.8096 47.4386 167.962 42.4906 94.8209 64.2369 250.267 PRESSAVG: 92200 52.4309 15.2907 -29.167 15.2906 -48.8666 38.7605 -29.167 38.7605 2.22857 GPRESSAVG: 92200 52.5185 14.3856 -31.6797 14.6477 -48.8352 37.502 -27.8105 40.1411 1.83789 TIMING: 92200 CPU: 274.928, 0.00298328/step Wall: 274.928, 0.00298328/step, 4.06703 hours remaining, 199.656250 MB of memory in use. ENERGY: 92200 726.2441 2100.5983 1940.6165 109.6621 -206919.6527 18205.7560 0.0000 0.0000 34027.7389 -149809.0368 297.1727 -183836.7756 -149714.7708 298.0776 234.3418 266.4818 556638.5971 1.9309 1.8404 LDB: ============= START OF LOAD BALANCING ============== 278.443 LDB: ============== END OF LOAD BALANCING =============== 278.443 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 278.445 LDB: ============= START OF LOAD BALANCING ============== 278.743 LDB: Largest compute 4773 load 0.030126 is 25.6% of average load 0.117811 LDB: Average compute 0.001730 is 1.5% of average load 0.117811 LDB: TIME 278.745 LOAD: AVG 0.117811 MAX 0.209962 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 202.277 MB LDB: TIME 278.746 LOAD: AVG 0.117811 MAX 0.209962 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.516 MB LDB: TIME 278.746 LOAD: AVG 0.117811 MAX 0.209962 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.516 MB LDB: ============== END OF LOAD BALANCING =============== 278.748 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 278.752 PRESSURE: 92400 -186.221 117.814 166.039 117.814 232.275 -229.691 166.039 -229.692 -52.3944 GPRESSURE: 92400 -146.104 60.1625 55.1953 89.8958 296.789 -239.771 191.547 -228.116 -71.1257 PRESSAVG: 92400 10.6077 -17.5388 26.6428 -17.5389 35.2418 -48.9691 26.6428 -48.9692 -2.10538 GPRESSAVG: 92400 10.844 -19.3545 25.7639 -15.3408 35.4956 -46.599 27.6114 -50.5326 -2.48707 TIMING: 92400 CPU: 275.535, 0.0030352/step Wall: 275.535, 0.0030352/step, 4.13765 hours remaining, 199.531250 MB of memory in use. ENERGY: 92400 764.7396 2056.5936 1938.0281 110.8402 -206544.8640 17921.8255 0.0000 0.0000 34070.7722 -149682.0647 297.5485 -183752.8369 -149584.9028 297.7904 -2.1136 26.5197 558870.9885 14.5813 14.6175 PRESSURE: 92600 132.712 -125.81 9.861 -125.809 -169.72 -102.697 9.86082 -102.696 -38.8442 GPRESSURE: 92600 137.945 23.2338 98.8011 -164.169 -161.599 -54.224 -124.016 -176.661 47.1094 PRESSAVG: 92600 42.441 -33.3481 18.2152 -33.3481 17.4812 -33.8218 18.2152 -33.8218 -72.1051 GPRESSAVG: 92600 41.581 -31.5683 18.509 -34.2975 17.2349 -35.6 17.5539 -31.6183 -71.3351 TIMING: 92600 CPU: 276.13, 0.00297212/step Wall: 276.13, 0.00297212/step, 4.05149 hours remaining, 199.531250 MB of memory in use. ENERGY: 92600 738.2455 2094.4226 1950.1222 128.0391 -206474.7624 17907.4864 0.0000 0.0000 34167.7408 -149488.7059 298.3954 -183656.4467 -149388.8904 298.0448 -25.2842 7.8183 556536.5124 -4.0610 -4.1731 PRESSURE: 92800 -35.4236 -84.9147 47.3914 -84.9146 -100.722 12.3594 47.3921 12.3607 -47.5956 GPRESSURE: 92800 -28.7652 -82.3379 -10.8213 -53.7734 -39.766 32.7717 91.1995 -18.9334 -10.5285 PRESSAVG: 92800 49.0559 -1.6669 -49.5229 -1.66698 -66.0341 -52.8051 -49.5229 -52.805 7.92955 GPRESSAVG: 92800 49.2001 -0.564308 -48.487 -1.77008 -66.3219 -52.2592 -49.0295 -53.5702 8.32908 TIMING: 92800 CPU: 276.728, 0.00299324/step Wall: 276.728, 0.00299324/step, 4.08012 hours remaining, 199.531250 MB of memory in use. ENERGY: 92800 782.9780 2064.2961 1930.0141 102.1723 -206584.1396 18023.7511 0.0000 0.0000 34135.9974 -149544.9306 298.1182 -183680.9279 -149448.5792 297.6716 -61.2471 -26.3532 556865.6642 -3.0162 -2.9309 PRESSURE: 93000 -53.0536 47.8208 119.417 47.8203 -274.119 83.5735 119.416 83.5734 -87.964 GPRESSURE: 93000 -35.2438 26.6985 30.3169 61.7237 -211.938 83.3602 121.326 122.488 -82.4609 PRESSAVG: 93000 69.1001 -6.52906 10.7225 -6.52926 -58.3182 -11.2573 10.7224 -11.2573 2.07228 GPRESSAVG: 93000 70.5274 -8.67517 9.4441 -5.59387 -57.7417 -13.1707 9.88355 -10.6126 -0.117601 TIMING: 93000 CPU: 277.328, 0.00299793/step Wall: 277.328, 0.00299793/step, 4.08634 hours remaining, 199.531250 MB of memory in use. ENERGY: 93000 742.7589 2101.3768 1955.6837 119.3338 -206471.2459 17684.5570 0.0000 0.0000 34489.1438 -149378.3918 301.2023 -183867.5357 -149281.7666 299.1220 -138.3790 -109.8809 558104.2937 4.2847 4.2227 PRESSURE: 93200 -104.546 -54.2522 111.668 -54.2512 -59.684 -76.5048 111.667 -76.504 -121.437 GPRESSURE: 93200 -105.162 -37.4368 80.4257 -113.087 -48.3835 -40.5416 142.561 -111.893 -42.4666 PRESSAVG: 93200 -32.9772 -1.94264 15.5027 -1.94261 -28.6813 3.1406 15.5026 3.14074 70.4478 GPRESSAVG: 93200 -33.5429 0.254324 14.4918 -3.01052 -30.2345 4.49816 16.172 2.99563 72.829 TIMING: 93200 CPU: 277.926, 0.00298964/step Wall: 277.926, 0.00298964/step, 4.07487 hours remaining, 199.531250 MB of memory in use. ENERGY: 93200 727.6920 2081.8509 1941.8502 108.7007 -205839.3620 17591.8731 0.0000 0.0000 34138.7657 -149248.6295 298.1423 -183387.3952 -149157.4820 299.4104 -95.2223 -65.3372 558300.5896 2.9298 3.0172 PRESSURE: 93400 -84.7373 88.8052 -54.4407 88.8048 46.9234 -52.8615 -54.4409 -52.8642 -105.425 GPRESSURE: 93400 1.247 71.3097 97.3871 20.4311 25.493 -49.3335 -51.2157 -131.411 -67.9687 PRESSAVG: 93400 46.1625 -10.3273 36.5346 -10.3272 -32.7337 -35.7973 36.5347 -35.7973 -22.6425 GPRESSAVG: 93400 46.6463 -12.9018 36.7324 -10.3567 -34.0724 -34.9839 37.2455 -37.2793 -22.016 TIMING: 93400 CPU: 278.524, 0.00299231/step Wall: 278.524, 0.00299231/step, 4.07835 hours remaining, 199.531250 MB of memory in use. ENERGY: 93400 756.5770 2068.3512 1946.9546 111.6503 -206235.4279 17784.0463 0.0000 0.0000 34370.2799 -149197.5686 300.1642 -183567.8485 -149105.7531 299.5212 -47.7464 -13.7429 557807.5663 -3.0712 -3.1474 PRESSURE: 93600 149.839 34.3571 29.8675 34.3576 -31.6792 -107.309 29.8681 -107.308 82.0765 GPRESSURE: 93600 218.942 -16.4676 46.6537 38.4337 -21.5247 -108.286 70.9084 -106.583 104.385 PRESSAVG: 93600 28.1618 -10.1482 7.89404 -10.1481 104.197 10.6005 7.89412 10.6005 -76.801 GPRESSAVG: 93600 27.6044 -9.30206 9.14056 -9.9934 104.984 8.74538 6.87986 13.5347 -77.4129 TIMING: 93600 CPU: 279.131, 0.00303408/step Wall: 279.131, 0.00303408/step, 4.13511 hours remaining, 199.792969 MB of memory in use. ENERGY: 93600 739.3099 2074.5104 1913.6531 120.7597 -206169.5982 17818.3378 0.0000 0.0000 34280.9710 -149222.0563 299.3842 -183503.0274 -149124.7821 299.3585 66.7454 100.6005 557598.9690 18.5194 18.3919 PRESSURE: 93800 61.1629 15.277 23.0219 15.2763 -84.4367 -2.9239 23.0225 -2.92274 -134.979 GPRESSURE: 93800 76.9597 -9.07379 -64.1913 30.9603 -37.1517 41.6808 87.2118 24.7018 -106.614 PRESSAVG: 93800 21.9549 15.4232 26.9792 15.4232 -14.952 -14.5263 26.9792 -14.5263 -9.89101 GPRESSAVG: 93800 21.069 14.8836 27.2901 14.02 -13.4977 -12.977 28.5889 -15.0151 -10.2837 TIMING: 93800 CPU: 279.736, 0.00302359/step Wall: 279.736, 0.00302359/step, 4.12065 hours remaining, 199.792969 MB of memory in use. ENERGY: 93800 734.2403 2065.8126 1935.6378 111.6773 -206000.9103 17664.9389 0.0000 0.0000 34269.8061 -149218.7974 299.2867 -183488.6034 -149119.8301 299.1048 -52.7510 -22.2688 559256.7058 -0.9627 -0.9042 PRESSURE: 94000 -89.9335 -135.005 63.8724 -135.005 -282.371 91.8846 63.8723 91.8835 -218.107 GPRESSURE: 94000 -49.0196 -103.909 112.717 -161.487 -202.162 63.3732 62.3843 95.1471 -255.167 PRESSAVG: 94000 -2.22245 -2.38451 21.5073 -2.38447 73.936 -23.6965 21.5073 -23.6965 -20.3501 GPRESSAVG: 94000 -2.16721 0.459782 20.7685 -3.75828 74.1489 -23.9557 20.3463 -24.9562 -20.7366 TIMING: 94000 CPU: 280.329, 0.00296678/step Wall: 280.329, 0.00296678/step, 4.04306 hours remaining, 199.792969 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: 94000 741.4143 2040.5791 1923.6777 117.2153 -205847.8380 17576.5722 0.0000 0.0000 34295.8451 -149152.5343 299.5141 -183448.3794 -149065.2329 300.0093 -196.8037 -168.7831 559390.3387 17.1211 17.0817 PRESSURE: 94200 -113.9 -19.0825 -154.129 -19.081 -262.307 8.32012 -154.129 8.32021 -76.8126 GPRESSURE: 94200 -68.3924 -66.3827 -193.2 61.3415 -211.65 -27.1041 -225.004 -4.35018 -78.046 PRESSAVG: 94200 -46.0641 -25.1594 -16.2581 -25.1594 47.6528 13.0273 -16.2581 13.0273 -9.54471 GPRESSAVG: 94200 -45.6252 -26.8848 -16.7997 -22.016 46.9782 13.3604 -15.7269 12.4793 -9.30651 TIMING: 94200 CPU: 280.925, 0.00297846/step Wall: 280.925, 0.00297846/step, 4.05881 hours remaining, 199.894531 MB of memory in use. ENERGY: 94200 749.4684 2035.4790 1968.8290 113.0840 -206158.4135 17767.9443 0.0000 0.0000 34353.0850 -149170.5239 300.0140 -183523.6088 -149073.0675 299.2762 -151.0068 -119.3627 558432.2058 -2.6520 -2.6512 PRESSURE: 94400 2.32867 -50.3648 -114.814 -50.3639 17.0335 -95.5835 -114.814 -95.5839 31.0227 GPRESSURE: 94400 73.4576 -62.4658 -65.5042 25.7814 16.4198 -16.1134 -64.6205 -144.388 68.083 PRESSAVG: 94400 73.9802 9.6633 -46.0341 9.66326 -37.9002 22.5084 -46.034 22.5085 -39.1388 GPRESSAVG: 94400 74.7182 9.35757 -44.166 7.95338 -38.1885 22.6337 -46.2969 23.1484 -39.553 TIMING: 94400 CPU: 281.519, 0.00297191/step Wall: 281.519, 0.00297191/step, 4.04972 hours remaining, 199.894531 MB of memory in use. ENERGY: 94400 740.3376 2067.3575 1955.6065 112.2725 -206271.6059 17947.9966 0.0000 0.0000 34228.2472 -149219.7880 298.9238 -183448.0352 -149118.8644 299.4482 16.7950 52.6535 558350.3227 -1.0196 -1.0078 PRESSURE: 94600 -14.4114 -91.5883 -69.1014 -91.5898 -86.8879 -63.5829 -69.1025 -63.5826 -358.388 GPRESSURE: 94600 -10.74 -82.1445 -58.9674 -70.4632 -58.8004 -71.2042 -13.9632 -20.131 -297.055 PRESSAVG: 94600 56.9594 -35.6662 -46.3234 -35.6661 2.05867 -2.50999 -46.3232 -2.50988 -69.5848 GPRESSAVG: 94600 56.8089 -36.512 -45.7807 -34.0125 2.34678 -2.49255 -47.1104 -0.180309 -69.1415 TIMING: 94600 CPU: 282.115, 0.00297937/step Wall: 282.115, 0.00297937/step, 4.05972 hours remaining, 199.894531 MB of memory in use. ENERGY: 94600 710.4532 2027.8495 1942.2965 122.2026 -205577.2722 17508.7300 0.0000 0.0000 34056.2620 -149209.4785 297.4218 -183265.7405 -149109.4551 299.0722 -153.2293 -122.1983 558131.1320 -3.5222 -3.3286 PRESSURE: 94800 -26.0489 16.3764 -83.6776 16.3768 -75.1591 -84.4402 -83.6794 -84.4396 -55.4034 GPRESSURE: 94800 -6.20792 71.838 -16.5082 -47.7975 -8.28251 -87.668 -36.4071 -107.886 -33.1414 PRESSAVG: 94800 -28.6121 -15.7622 7.19451 -15.7621 -9.92125 -48.4967 7.1945 -48.4967 23.704 GPRESSAVG: 94800 -29.3148 -15.1351 6.50545 -17.2154 -8.92867 -47.74 6.79075 -50.5725 23.8027 TIMING: 94800 CPU: 282.711, 0.0029822/step Wall: 282.711, 0.0029822/step, 4.06341 hours remaining, 199.894531 MB of memory in use. ENERGY: 94800 740.4318 2020.3357 1949.6934 131.2006 -205963.9534 17620.6785 0.0000 0.0000 34320.3354 -149181.2780 299.7280 -183501.6134 -149087.0934 299.1108 -52.2038 -15.8773 557711.7111 -4.9431 -4.8136 PRESSURE: 95000 -26.4998 -27.3545 -246.824 -27.3545 68.7686 -110.95 -246.824 -110.95 -207.129 GPRESSURE: 95000 4.7964 -46.8739 -245.375 -1.92859 87.5546 -26.8411 -224.718 -142.925 -159.453 PRESSAVG: 95000 -26.5684 24.8814 -70.9648 24.8813 48.6566 -36.358 -70.9647 -36.3579 33.6401 GPRESSAVG: 95000 -25.4361 25.8597 -70.3121 26.7383 47.7622 -37.3816 -70.485 -36.5226 33.0872 TIMING: 95000 CPU: 283.307, 0.00297673/step Wall: 283.307, 0.00297673/step, 4.05579 hours remaining, 199.894531 MB of memory in use. ENERGY: 95000 739.4626 2100.1629 1947.2761 129.5067 -206212.2215 17833.9347 0.0000 0.0000 34326.3305 -149135.5481 299.7804 -183461.8786 -149038.5243 299.5348 -54.9533 -22.3672 557800.7077 18.5761 18.4711 PRESSURE: 95200 69.1193 56.2623 7.64217 56.2634 160.955 114.743 7.64153 114.744 75.7643 GPRESSURE: 95200 77.0495 26.1031 -14.0822 30.8858 209.151 70.7777 58.1115 118.051 106.415 PRESSAVG: 95200 -8.57479 0.423133 -14.9112 0.423099 -19.3048 4.10587 -14.9112 4.10594 7.28547 GPRESSAVG: 95200 -9.24425 2.00479 -16.6472 -1.87804 -18.853 2.7828 -14.6043 3.86159 8.61105 TIMING: 95200 CPU: 283.905, 0.00299192/step Wall: 283.905, 0.00299192/step, 4.07632 hours remaining, 199.894531 MB of memory in use. ENERGY: 95200 731.5857 2109.4956 1947.7669 114.6759 -206669.5060 18130.7009 0.0000 0.0000 34479.7745 -149155.5064 301.1204 -183635.2809 -149057.8634 299.8716 101.9463 130.8716 556920.3812 -6.8647 -6.4954 PRESSURE: 95400 -205.617 30.7222 5.71063 30.7203 -341.778 -101.348 5.71063 -101.347 -132.484 GPRESSURE: 95400 -175.266 87.7238 45.8802 -3.80866 -277.395 -45.7039 -15.7226 -122.514 -142.803 PRESSAVG: 95400 -48.6565 -10.5694 22.905 -10.5695 -11.6139 -16.9158 22.905 -16.9157 50.1734 GPRESSAVG: 95400 -48.4743 -12.0735 22.9042 -9.54776 -11.975 -16.9243 23.3856 -16.2413 50.3431 TIMING: 95400 CPU: 284.502, 0.00298598/step Wall: 284.502, 0.00298598/step, 4.06806 hours remaining, 199.894531 MB of memory in use. ENERGY: 95400 764.0347 2117.3512 1940.2289 114.7812 -205703.4569 17482.8937 0.0000 0.0000 34228.8494 -149055.3177 298.9291 -183284.1671 -148967.1766 300.0663 -226.6266 -198.4881 557172.5132 -3.3657 -3.3687 PRESSURE: 95600 175.349 124.265 36.8458 124.265 72.3425 -28.5967 36.8453 -28.5972 52.304 GPRESSURE: 95600 183.928 123.185 66.1264 92.6314 97.1027 29.7889 -47.3507 28.1031 112.816 PRESSAVG: 95600 -8.94587 -10.1485 55.7754 -10.1485 -3.08061 87.1561 55.7754 87.1561 7.36302 GPRESSAVG: 95600 -8.71194 -10.7807 56.0888 -10.348 -2.68762 87.694 54.1787 86.5676 7.27491 TIMING: 95600 CPU: 285.1, 0.00298941/step Wall: 285.1, 0.00298941/step, 4.07257 hours remaining, 199.894531 MB of memory in use. ENERGY: 95600 739.0049 2040.4922 1953.2470 119.8826 -205951.3828 17930.6331 0.0000 0.0000 34281.4628 -148886.6603 299.3885 -183168.1231 -148787.0305 299.9144 99.9984 131.2823 556132.7286 -1.5545 -1.3749 PRESSURE: 95800 34.2325 58.955 -119.595 58.9555 252.325 -17.2102 -119.595 -17.2096 200.712 GPRESSURE: 95800 23.8612 -68.346 -133.399 114.376 319.063 -78.9742 -83.3242 54.8739 239.038 PRESSAVG: 95800 -54.359 37.3177 32.0363 37.3177 88.421 92.2796 32.0362 92.2797 -24.3136 GPRESSAVG: 95800 -54.0218 38.3373 32.556 36.1134 87.9041 92.4105 33.6339 92.1005 -23.8365 TIMING: 95800 CPU: 285.698, 0.00299112/step Wall: 285.698, 0.00299112/step, 4.07473 hours remaining, 199.894531 MB of memory in use. ENERGY: 95800 732.1642 2065.5994 1948.4795 109.3849 -206110.0987 17807.0783 0.0000 0.0000 34455.9755 -148991.4169 300.9126 -183447.3923 -148886.8944 299.4906 162.4232 193.9872 556259.7108 3.2494 3.3486 PRESSURE: 96000 246.502 10.0795 -222.341 10.0797 131.064 -9.78886 -222.34 -9.78823 125.376 GPRESSURE: 96000 305.669 74.4876 -197.358 -28.4693 128.453 9.55433 -268.003 16.9635 158.377 PRESSAVG: 96000 -50.8114 22.0526 -11.3531 22.0526 37.5868 -35.9144 -11.3532 -35.9143 16.3866 GPRESSAVG: 96000 -51.1578 22.7607 -11.7296 21.9858 37.8974 -35.0397 -9.15039 -36.2663 16.8598 TIMING: 96000 CPU: 286.301, 0.0030133/step Wall: 286.301, 0.0030133/step, 4.10479 hours remaining, 199.894531 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: 96000 728.8418 2053.1485 1937.6417 97.9346 -206475.6830 18157.4950 0.0000 0.0000 34395.7165 -149104.9049 300.3863 -183500.6214 -149008.4847 299.7725 167.6474 197.4995 556392.8483 1.0540 1.1998 PRESSURE: 96200 50.9348 146.677 42.0693 146.678 -46.0419 -2.58109 42.0686 -2.58085 -10.2854 GPRESSURE: 96200 35.092 158.646 90.248 -6.55791 15.6732 -33.7222 135.093 10.0898 26.5811 PRESSAVG: 96200 31.3624 -6.20423 -45.4339 -6.20425 63.746 -50.1722 -45.434 -50.172 -39.0367 GPRESSAVG: 96200 30.7943 -6.52753 -43.9633 -4.87902 64.9157 -51.1138 -48.4444 -48.8251 -39.6559 TIMING: 96200 CPU: 286.906, 0.00302275/step Wall: 286.906, 0.00302275/step, 4.11749 hours remaining, 199.894531 MB of memory in use. ENERGY: 96200 750.8746 2053.1982 1923.8171 117.8424 -206035.4673 17667.1893 0.0000 0.0000 34258.5728 -149263.9729 299.1886 -183522.5457 -149173.9673 299.9327 -1.7975 25.7821 556777.2272 18.6906 18.6847 LDB: ============= START OF LOAD BALANCING ============== 290.423 LDB: ============== END OF LOAD BALANCING =============== 290.423 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 290.424 LDB: ============= START OF LOAD BALANCING ============== 290.728 LDB: Largest compute 4773 load 0.031157 is 26.5% of average load 0.117784 LDB: Average compute 0.001737 is 1.5% of average load 0.117784 LDB: TIME 290.731 LOAD: AVG 0.117784 MAX 0.213012 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 201.023 MB LDB: TIME 290.731 LOAD: AVG 0.117784 MAX 0.213012 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 201.023 MB LDB: TIME 290.731 LOAD: AVG 0.117784 MAX 0.213012 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 201.023 MB LDB: ============== END OF LOAD BALANCING =============== 290.733 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 290.737 PRESSURE: 96400 -248.926 30.0524 61.0536 30.0542 -124.792 26.5909 61.0545 26.5931 -231.389 GPRESSURE: 96400 -211.521 75.3589 98.2591 28.2119 -73.1104 90.2504 -0.968885 13.4708 -220.461 PRESSAVG: 96400 42.5538 14.3019 36.0678 14.302 4.44845 12.3565 36.0678 12.3566 -79.13 GPRESSAVG: 96400 43.6975 13.664 34.4721 14.1056 2.77825 13.1862 37.0294 11.9133 -78.9816 TIMING: 96400 CPU: 287.521, 0.00307461/step Wall: 287.521, 0.00307461/step, 4.18796 hours remaining, 199.945312 MB of memory in use. ENERGY: 96400 748.5506 2077.1334 1950.4269 115.2025 -206103.2524 17728.0036 0.0000 0.0000 34305.0103 -149178.9252 299.5942 -183483.9354 -149082.0955 299.5708 -201.7024 -168.3643 558722.8324 -10.7092 -10.8353 PRESSURE: 96600 267.445 -164.671 -62.2127 -164.671 -29.3124 -129.86 -62.2125 -129.86 163.842 GPRESSURE: 96600 283.222 -182.887 -92.6887 -131.186 25.2028 -138.825 -49.0424 -68.0144 193.778 PRESSAVG: 96600 -10.6298 -11.1459 8.21725 -11.1461 12.4295 1.59951 8.21725 1.59945 11.2905 GPRESSAVG: 96600 -9.94664 -9.53814 8.33067 -10.655 11.7522 2.48446 8.02716 1.10827 11.0506 TIMING: 96600 CPU: 288.124, 0.00301695/step Wall: 288.124, 0.00301695/step, 4.10925 hours remaining, 199.945312 MB of memory in use. ENERGY: 96600 736.2821 2123.0466 1915.8858 115.0642 -206554.6867 17908.0677 0.0000 0.0000 34440.1325 -149316.2078 300.7742 -183756.3403 -149220.9600 299.6849 133.9915 167.4011 555937.5136 4.3634 4.2854 PRESSURE: 96800 78.42 -23.7954 38.7146 -23.7944 43.4678 98.3847 38.7144 98.386 155.951 GPRESSURE: 96800 108.019 -47.549 94.3829 -9.44161 110.768 54.3394 -28.5925 74.537 174.296 PRESSAVG: 96800 24.2608 -7.79591 28.1328 -7.79592 -57.2131 10.7824 28.1327 10.7824 53.1883 GPRESSAVG: 96800 22.6614 -6.70352 29.2984 -9.10907 -56.4695 9.10053 28.2985 10.5878 54.0501 TIMING: 96800 CPU: 288.73, 0.00302786/step Wall: 288.73, 0.00302786/step, 4.12395 hours remaining, 199.945312 MB of memory in use. ENERGY: 96800 791.9845 2122.9529 1936.8493 120.4831 -205992.4413 17799.9772 0.0000 0.0000 34030.6720 -149189.5222 297.1983 -183220.1943 -149100.7583 299.7263 92.6130 131.0279 555714.8048 6.7453 6.7473 PRESSURE: 97000 8.47642 -62.4803 106.996 -62.4802 -17.3114 -50.5115 106.996 -50.5098 -101.256 GPRESSURE: 97000 50.302 -26.1872 118.516 -125.826 -11.3313 -60.5462 54.6871 -70.2252 -60.7995 PRESSAVG: 97000 31.4603 4.50719 3.34389 4.50707 -1.84964 20.8629 3.34399 20.8629 -16.8174 GPRESSAVG: 97000 31.3216 2.48219 4.70154 6.50156 -0.885498 22.2978 2.22957 18.0101 -17.0656 TIMING: 97000 CPU: 289.331, 0.00300529/step Wall: 289.331, 0.00300529/step, 4.09304 hours remaining, 199.945312 MB of memory in use. ENERGY: 97000 724.0592 2096.5510 1929.1384 101.6925 -206197.6848 17761.6377 0.0000 0.0000 34256.4250 -149328.1810 299.1699 -183584.6061 -149228.3240 299.2156 -36.6970 -7.2763 557805.9437 4.2644 4.4568 PRESSURE: 97200 242.023 -259.961 75.9503 -259.961 45.0119 -48.1505 75.9503 -48.1502 187.677 GPRESSURE: 97200 280.945 -148.445 82.4119 -270.246 53.26 -40.6828 52.2335 -1.52354 250.696 PRESSAVG: 97200 22.2755 8.70644 -24.5924 8.70647 -10.5792 -42.9121 -24.5923 -42.9121 24.8362 GPRESSAVG: 97200 22.9194 9.32663 -26.8548 7.9586 -10.8799 -43.6619 -22.436 -40.0281 25.006 TIMING: 97200 CPU: 289.937, 0.00303212/step Wall: 289.937, 0.00303212/step, 4.12941 hours remaining, 199.945312 MB of memory in use. ENERGY: 97200 738.9536 2095.7370 1942.8682 117.6404 -206604.7846 17980.6181 0.0000 0.0000 34225.4708 -149503.4966 298.8995 -183728.9674 -149412.1904 298.4424 158.2373 194.9668 555846.4473 12.1775 12.3485 PRESSURE: 97400 -116.846 -46.9087 170.797 -46.9096 -136.311 -76.0235 170.799 -76.0231 -124.037 GPRESSURE: 97400 -50.5221 -6.9202 155.288 -61.2498 -104.408 -164.752 115.012 -34.0412 -118.584 PRESSAVG: 97400 18.4601 13.2491 3.84609 13.249 -40.3507 -35.1082 3.84615 -35.1083 -47.8111 GPRESSAVG: 97400 18.0138 13.7701 4.57473 12.9873 -38.946 -33.035 2.03626 -37.3198 -47.8968 TIMING: 97400 CPU: 290.54, 0.00301495/step Wall: 290.54, 0.00301495/step, 4.10586 hours remaining, 199.945312 MB of memory in use. ENERGY: 97400 763.9871 2068.5964 1921.1516 119.7285 -206405.2773 17813.5459 0.0000 0.0000 34252.6216 -149465.6461 299.1367 -183718.2677 -149361.8551 298.1736 -125.7314 -91.1716 558036.1610 -23.2339 -22.9430 PRESSURE: 97600 10.6875 -182.652 -138.006 -182.653 -90.9826 4.69139 -138.006 4.69122 159.649 GPRESSURE: 97600 66.9107 -186.028 -197.929 -123.325 -87.0187 6.93834 -42.5131 -2.97412 193.694 PRESSAVG: 97600 33.7488 -15.8865 4.6338 -15.8865 -13.734 37.3386 4.63378 37.3388 -27.5664 GPRESSAVG: 97600 33.9227 -17.3047 3.62776 -15.9963 -13.5603 37.5613 4.29338 38.1177 -27.796 TIMING: 97600 CPU: 291.133, 0.00296654/step Wall: 291.133, 0.00296654/step, 4.03976 hours remaining, 199.945312 MB of memory in use. ENERGY: 97600 733.9674 2011.4297 1949.6547 109.6669 -206815.7904 18076.3107 0.0000 0.0000 34269.2981 -149665.4630 299.2823 -183934.7611 -149567.8291 297.9786 26.4514 57.8619 556397.6732 -2.5172 -2.4779 PRESSURE: 97800 -106.594 -60.4265 91.0366 -60.4267 -1.14129 -63.4395 91.0362 -63.4406 21.2949 GPRESSURE: 97800 -34.3136 -25.659 68.8587 -19.069 -12.3683 -43.817 61.6598 -117.041 46.6984 PRESSAVG: 97800 51.8616 -88.5222 -48.4815 -88.5222 -12.1381 -14.8798 -48.4815 -14.8798 -23.7453 GPRESSAVG: 97800 53.4081 -90.4444 -49.6457 -88.9208 -12.9374 -17.4654 -47.4244 -14.6795 -24.4691 TIMING: 97800 CPU: 291.727, 0.00296699/step Wall: 291.727, 0.00296699/step, 4.04021 hours remaining, 199.945312 MB of memory in use. ENERGY: 97800 732.6609 2082.3204 1927.0037 112.6999 -206369.3854 17618.1371 0.0000 0.0000 34150.2934 -149746.2700 298.2430 -183896.5634 -149640.3879 297.1124 -28.8136 0.0055 557078.1726 5.3261 5.3339 PRESSURE: 98000 -28.4757 235.735 -28.1447 235.733 -16.3936 59.1855 -28.1459 59.1862 -242.844 GPRESSURE: 98000 0.350316 242.209 24.7579 209.984 18.3075 38.9936 -42.8158 75.1318 -206.621 PRESSAVG: 98000 -12.843 9.52935 -16.943 9.52929 19.1453 -18.4848 -16.9431 -18.4848 -28.9613 GPRESSAVG: 98000 -13.985 13.0776 -15.7397 8.10856 19.7145 -17.7168 -15.9071 -17.113 -28.3904 TIMING: 98000 CPU: 292.321, 0.00297005/step Wall: 292.321, 0.00297005/step, 4.04422 hours remaining, 199.945312 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: 98000 739.1056 2058.7583 1917.2970 105.8668 -206453.9713 17717.3505 0.0000 0.0000 34294.6599 -149620.9333 299.5038 -183915.5932 -149527.8449 297.2261 -95.9043 -62.6543 556000.5767 -7.5530 -7.5536 PRESSURE: 98200 44.8926 -14.2713 146.155 -14.2723 88.0945 8.57951 146.156 8.58145 -121.225 GPRESSURE: 98200 81.3996 -19.9341 148.007 -11.4097 138.818 11.3411 103.351 -28.8265 -114.722 PRESSAVG: 98200 32.9339 39.6578 28.6036 39.6578 80.4802 13.7377 28.6035 13.7376 -88.3916 GPRESSAVG: 98200 32.8154 38.5941 28.7755 40.0838 79.8487 13.9349 29.3762 12.4889 -87.993 TIMING: 98200 CPU: 292.917, 0.00298265/step Wall: 292.917, 0.00298265/step, 4.0612 hours remaining, 199.945312 MB of memory in use. ENERGY: 98200 754.0455 2081.0685 1948.0938 107.0855 -206470.9026 17947.7953 0.0000 0.0000 34172.8412 -149459.9729 298.4399 -183632.8140 -149372.9633 298.5613 3.9206 35.1652 557414.7247 8.3409 8.2237 PRESSURE: 98400 -49.0209 -47.3577 -33.5568 -47.3579 -64.3121 -26.9362 -33.5558 -26.9346 -196.657 GPRESSURE: 98400 -9.93778 -13.5515 -31.4077 -72.4858 -85.9583 -74.9469 -96.9082 -50.3932 -124.161 PRESSAVG: 98400 78.3145 -19.5246 -7.44294 -19.5246 -42.0581 -1.10609 -7.44291 -1.10614 -8.62014 GPRESSAVG: 98400 78.3252 -19.8386 -7.04036 -19.2604 -41.5136 -0.484697 -8.93252 -1.87466 -8.94477 TIMING: 98400 CPU: 293.513, 0.00297935/step Wall: 293.513, 0.00297935/step, 4.05655 hours remaining, 199.945312 MB of memory in use. ENERGY: 98400 746.5914 2083.2430 1938.5401 107.3597 -206111.1729 17672.3945 0.0000 0.0000 34076.7744 -149486.2698 297.6009 -183563.0442 -149385.9262 298.6113 -103.3301 -73.3523 556047.0300 9.2121 9.2889 PRESSURE: 98600 152.699 -145.706 -43.3635 -145.705 -237.677 -119.81 -43.3627 -119.81 47.8816 GPRESSURE: 98600 104.065 -189.272 -51.5855 -83.8642 -173.923 -147.268 -26.9143 -125.487 135.963 PRESSAVG: 98600 33.5168 -17.6327 -50.7055 -17.6328 -28.3199 -14.7501 -50.7056 -14.7501 -50.8147 GPRESSAVG: 98600 34.3221 -19.6818 -52.2509 -16.6042 -28.4128 -16.2103 -48.4365 -12.9825 -51.4156 TIMING: 98600 CPU: 294.115, 0.00301073/step Wall: 294.115, 0.00301073/step, 4.09911 hours remaining, 199.945312 MB of memory in use. ENERGY: 98600 751.1108 2034.0258 1919.6861 99.0041 -206594.5975 17997.3198 0.0000 0.0000 34280.8455 -149512.6055 299.3831 -183793.4509 -149418.7376 298.2669 -12.3656 22.0347 556679.8184 -15.2059 -15.1687 PRESSURE: 98800 -90.8254 -32.4111 70.9708 -32.4111 -3.96939 -97.3121 70.9713 -97.3117 -25.0247 GPRESSURE: 98800 -18.2617 -151.425 113.087 60.2217 -35.1174 -81.7721 14.6689 -88.8766 27.3556 PRESSAVG: 98800 -28.177 -18.5787 42.1676 -18.5787 21.6376 -29.8802 42.1677 -29.8803 20.1834 GPRESSAVG: 98800 -28.1542 -19.7749 43.4769 -18.5108 21.229 -28.2211 37.979 -32.2473 21.4623 TIMING: 98800 CPU: 294.722, 0.0030317/step Wall: 294.722, 0.0030317/step, 4.1275 hours remaining, 200.015625 MB of memory in use. ENERGY: 98800 708.0381 1992.3868 1963.8007 123.8445 -205940.7726 17584.9375 0.0000 0.0000 34177.9047 -149389.8603 298.4841 -183567.7650 -149295.9810 298.4617 -39.9398 -8.6745 557081.4184 4.5480 4.8457 PRESSURE: 99000 138.486 50.5223 10.6362 50.5226 -72.6403 44.6869 10.6367 44.6858 -75.946 GPRESSURE: 99000 127.852 34.0264 -62.1587 70.2394 -16.3536 25.7386 94.0507 50.8129 -27.6882 PRESSAVG: 99000 76.7401 -19.5022 5.7002 -19.5022 -69.8788 -12.4466 5.70025 -12.4467 27.0396 GPRESSAVG: 99000 75.6398 -16.9658 6.02783 -20.2795 -70.1886 -11.8272 8.08858 -12.7414 28.1292 TIMING: 99000 CPU: 295.323, 0.00300595/step Wall: 295.323, 0.00300595/step, 4.09226 hours remaining, 200.015625 MB of memory in use. ENERGY: 99000 721.3223 2082.5824 1937.8762 92.5256 -206204.2448 17735.8795 0.0000 0.0000 34133.4881 -149500.5707 298.0962 -183634.0588 -149409.2343 298.6337 -3.3669 27.9369 556408.0345 11.3003 11.1935 PRESSURE: 99200 105.359 -71.9645 58.413 -71.9662 -138.595 37.6748 58.4124 37.6747 -104.72 GPRESSURE: 99200 186.496 -59.2778 26.2198 -37.3624 -156.11 48.1306 26.9545 37.1118 -59.1396 PRESSAVG: 99200 13.8452 -15.473 6.28262 -15.4731 0.168294 -13.4667 6.28252 -13.4667 -0.672294 GPRESSAVG: 99200 14.1106 -18.226 5.91175 -13.3256 0.16728 -15.8385 4.9925 -9.38963 -1.28507 TIMING: 99200 CPU: 295.924, 0.00300675/step Wall: 295.924, 0.00300675/step, 4.09319 hours remaining, 200.015625 MB of memory in use. ENERGY: 99200 736.2877 2056.8488 1936.4523 119.1507 -206155.1774 17719.7636 0.0000 0.0000 34187.2232 -149399.4512 298.5655 -183586.6744 -149303.5633 298.0086 -45.9852 -9.5843 558612.0790 4.4471 4.3309 PRESSURE: 99400 165.925 -28.8313 82.1424 -28.8311 -132.95 -73.7434 82.1423 -73.7423 -38.4924 GPRESSURE: 99400 135.8 -98.2555 136.439 80.7007 -77.4789 -132.287 47.012 -29.4771 35.9861 PRESSAVG: 99400 15.8203 4.86853 36.9589 4.86843 21.9904 28.6144 36.9588 28.6145 -14.7299 GPRESSAVG: 99400 16.1494 7.12666 37.1977 3.32511 21.6597 30.0753 37.7171 26.1031 -15.0282 TIMING: 99400 CPU: 296.518, 0.00297082/step Wall: 296.518, 0.00297082/step, 4.04411 hours remaining, 200.015625 MB of memory in use. ENERGY: 99400 716.8777 2030.4502 1944.4926 112.4475 -206256.4949 17790.8481 0.0000 0.0000 34448.8134 -149212.5654 300.8501 -183661.3787 -149111.1090 299.0557 -1.8390 31.4357 557280.5882 7.6936 7.5936 PRESSURE: 99600 -206.37 -62.9961 -83.6153 -62.9958 -18.6261 142.151 -83.6146 142.151 -179.454 GPRESSURE: 99600 -146.211 -102.213 -88.428 -61.4337 -14.9986 172.861 -95.5132 200.359 -138.778 PRESSAVG: 99600 16.1097 26.3276 33.5528 26.3277 -25.5142 42.2004 33.5527 42.2005 -47.4076 GPRESSAVG: 99600 16.3146 25.9668 33.6738 27.3481 -25.9768 43.1217 33.568 42.3178 -47.7918 TIMING: 99600 CPU: 297.114, 0.00298003/step Wall: 297.114, 0.00298003/step, 4.05648 hours remaining, 200.015625 MB of memory in use. ENERGY: 99600 761.7642 2092.8191 1902.4135 107.7728 -206334.1010 17763.2468 0.0000 0.0000 34438.1071 -149267.9775 300.7566 -183706.0846 -149164.4560 300.1155 -134.8168 -99.9956 558179.9595 -18.9374 -19.1513 PRESSURE: 99800 0.736487 -27.9309 100.068 -27.9306 -64.3402 -69.5749 100.067 -69.5745 216.762 GPRESSURE: 99800 52.6269 -4.01211 141.295 -15.5965 -58.3569 -2.47354 56.5135 -87.077 264.775 PRESSAVG: 99800 -68.5822 22.1744 -16.8502 22.1743 34.5249 14.0446 -16.8503 14.0447 62.1254 GPRESSAVG: 99800 -68.4237 22.1723 -15.7686 20.5751 34.0691 14.0521 -17.1457 14.8453 62.4779 TIMING: 99800 CPU: 297.71, 0.00297861/step Wall: 297.71, 0.00297861/step, 4.05439 hours remaining, 200.015625 MB of memory in use. ENERGY: 99800 761.3260 2035.0671 1931.9290 117.7838 -206686.2238 17995.3634 0.0000 0.0000 34519.0095 -149325.7450 301.4631 -183844.7545 -149223.8680 299.1377 51.0527 86.3484 557083.4312 9.3561 9.3744 PRESSURE: 100000 -31.2888 77.3036 238.536 77.3045 290.176 236.074 238.534 236.073 -33.3914 GPRESSURE: 100000 14.2947 84.1141 189.672 -3.20346 308.537 126.475 236.749 262.101 6.93302 PRESSAVG: 100000 -54.3529 3.30447 6.51372 3.30453 -24.0354 53.3416 6.51362 53.3416 98.51 GPRESSAVG: 100000 -55.0636 3.09474 6.28696 3.60469 -24.3626 50.785 4.98625 54.6726 99.3115 TIMING: 100000 CPU: 298.308, 0.00298734/step Wall: 298.308, 0.00298734/step, 4.06611 hours remaining, 203.105469 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: 100000 706.8419 2150.1755 1924.8064 107.6665 -206404.5083 17913.1680 0.0000 0.0000 34360.2765 -149241.5736 300.0768 -183601.8500 -149144.0616 299.3491 75.1654 109.9215 557653.8767 6.7072 6.6284 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 100000 OPENING COORDINATE DCD FILE WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 100000 WRITING COORDINATES TO RESTART FILE AT STEP 100000 FINISHED WRITING RESTART COORDINATES The last position output (seq=100000) takes 0.013 seconds, 203.141 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 100000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=100000) takes 0.004 seconds, 203.969 MB of memory in use PRESSURE: 100200 45.9365 -80.365 -208.527 -80.3653 224.04 -105.324 -208.527 -105.325 224.342 GPRESSURE: 100200 53.5589 -108.299 -119.965 -139.194 249.917 -97.501 -157.057 -52.0231 277.214 PRESSAVG: 100200 -61.5972 -55.3721 -37.7107 -55.3721 38.4887 41.4249 -37.7106 41.4248 -33.3823 GPRESSAVG: 100200 -62.1278 -53.4875 -39.2949 -55.951 39.8428 43.5423 -35.8071 39.1898 -34.577 TIMING: 100200 CPU: 298.917, 0.00304745/step Wall: 298.917, 0.00304745/step, 4.14775 hours remaining, 203.972656 MB of memory in use. ENERGY: 100200 714.7848 2122.0438 1952.1668 116.2292 -206291.2277 17998.7760 0.0000 0.0000 34246.7819 -149140.4452 299.0857 -183387.2271 -149048.3605 299.4748 164.7728 193.5633 557569.9377 -18.8303 -18.9540 LDB: ============= START OF LOAD BALANCING ============== 302.43 LDB: ============== END OF LOAD BALANCING =============== 302.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 302.432 LDB: ============= START OF LOAD BALANCING ============== 302.728 LDB: Largest compute 4773 load 0.030993 is 26.3% of average load 0.117784 LDB: Average compute 0.001735 is 1.5% of average load 0.117784 LDB: TIME 302.73 LOAD: AVG 0.117784 MAX 0.208459 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.938 MB LDB: TIME 302.73 LOAD: AVG 0.117784 MAX 0.208459 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.141 MB LDB: TIME 302.73 LOAD: AVG 0.117784 MAX 0.208459 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.141 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 302.732 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 302.736 PRESSURE: 100400 171.132 82.7528 -109.731 82.7527 193.458 -65.9045 -109.731 -65.904 45.1671 GPRESSURE: 100400 185.438 45.1697 -114.086 81.4819 258.627 -11.2513 -58.2042 -158.783 70.1981 PRESSAVG: 100400 -73.0053 18.8969 -26.0035 18.8969 -12.762 43.1479 -26.0036 43.148 58.2219 GPRESSAVG: 100400 -73.4283 17.0625 -23.7572 20.6315 -13.3917 39.542 -26.7357 44.3039 59.4919 TIMING: 100400 CPU: 299.52, 0.00301325/step Wall: 299.52, 0.00301325/step, 4.10103 hours remaining, 203.996094 MB of memory in use. ENERGY: 100400 720.8679 2096.1621 1932.6410 113.3187 -206186.0996 17868.9966 0.0000 0.0000 34345.2534 -149108.8599 299.9456 -183454.1133 -149010.3288 299.2617 136.5855 171.4211 557022.7012 -9.1818 -9.1094 PRESSURE: 100600 -164.31 80.4094 -106.513 80.409 92.4024 70.7312 -106.514 70.7317 141.34 GPRESSURE: 100600 -121.48 46.1579 -151.288 -8.26624 61.0527 10.702 -84.9979 66.4005 228.616 PRESSAVG: 100600 -84.7874 28.2341 -3.48161 28.2341 24.097 -14.2946 -3.48158 -14.2947 21.1155 GPRESSAVG: 100600 -84.2775 28.0576 -4.23286 27.6513 23.7051 -12.229 -4.0104 -13.6123 20.4593 TIMING: 100600 CPU: 300.115, 0.00297846/step Wall: 300.115, 0.00297846/step, 4.05352 hours remaining, 204.199219 MB of memory in use. ENERGY: 100600 722.3046 2096.4982 1960.6365 118.3679 -206063.2658 17825.8407 0.0000 0.0000 34144.6412 -149194.9768 298.1936 -183339.6180 -149098.5514 299.0799 23.1442 56.0627 557795.0186 -13.1916 -13.3710 PRESSURE: 100800 -233.451 -55.5616 -107.827 -55.5614 -186.175 -38.3244 -107.827 -38.3239 -177.379 GPRESSURE: 100800 -207.41 -33.6141 -91.8616 -112.883 -147.009 -36.7121 -50.7935 -13.454 -141.983 PRESSAVG: 100800 -3.2105 15.7736 4.03098 15.7736 22.7849 37.1039 4.03095 37.1038 2.79472 GPRESSAVG: 100800 -3.34073 15.467 4.89276 17.2697 22.243 37.9312 5.2682 35.3867 3.03212 TIMING: 100800 CPU: 300.709, 0.00297055/step Wall: 300.709, 0.00297055/step, 4.04259 hours remaining, 204.199219 MB of memory in use. ENERGY: 100800 757.4152 2106.5271 1952.3570 115.9105 -205619.4827 17632.4653 0.0000 0.0000 33827.7715 -149227.0361 295.4263 -183054.8076 -149129.2834 298.7965 -199.0017 -165.4676 558169.8253 7.4564 7.3114 PRESSURE: 101000 -360.983 -38.4335 14.0318 -38.4338 224.449 56.8475 14.0314 56.8506 -187.918 GPRESSURE: 101000 -324.502 -0.331693 58.0365 -33.7363 237.541 136.48 -55.5626 -2.10755 -132.965 PRESSAVG: 101000 -27.2873 25.5113 -15.8125 25.5112 17.426 44.3881 -15.8125 44.388 33.1234 GPRESSAVG: 101000 -28.8058 26.743 -15.8957 22.7916 18.0286 45.4502 -17.9959 44.6021 33.7066 TIMING: 101000 CPU: 301.305, 0.00297582/step Wall: 301.305, 0.00297582/step, 4.04959 hours remaining, 204.199219 MB of memory in use. ENERGY: 101000 720.7146 2123.7763 1934.5965 115.1184 -205897.7360 17477.1281 0.0000 0.0000 34259.7321 -149266.6702 299.1988 -183526.4023 -149172.0635 298.8679 -108.1505 -73.3088 556841.0257 7.7540 7.6431 PRESSURE: 101200 94.0596 -204.902 -85.6865 -204.902 -88.4693 -8.2775 -85.686 -8.27691 -225.581 GPRESSURE: 101200 147.23 -216.201 -45.6245 -46.3756 -36.2273 -18.355 -62.6014 12.9139 -217.69 PRESSAVG: 101200 49.6149 10.1889 -37.1917 10.1888 44.8339 -6.62827 -37.1917 -6.62809 -56.0514 GPRESSAVG: 101200 50.1653 12.3119 -38.004 8.25732 44.7266 -8.93804 -34.0333 -5.41697 -56.8649 TIMING: 101200 CPU: 301.904, 0.00299717/step Wall: 301.904, 0.00299717/step, 4.07849 hours remaining, 204.199219 MB of memory in use. ENERGY: 101200 760.0565 2104.9281 1948.6395 120.8235 -206206.9129 17764.7711 0.0000 0.0000 34317.2825 -149190.4117 299.7014 -183507.6942 -149084.3324 299.3944 -73.3302 -35.5627 556834.1501 12.7991 12.6756 PRESSURE: 101400 -217.962 -46.5695 138.254 -46.5696 -257.275 134.293 138.255 134.293 77.7255 GPRESSURE: 101400 -163.185 -30.2486 64.051 -136.743 -175.055 130.998 90.8109 78.2988 21.6816 PRESSAVG: 101400 -48.4016 -32.2257 -44.7108 -32.2257 59.2454 58.0557 -44.7109 58.0558 -38.728 GPRESSAVG: 101400 -46.8137 -35.4281 -44.1554 -28.4735 58.9816 57.2646 -44.9257 59.7151 -39.5934 TIMING: 101400 CPU: 302.507, 0.00301442/step Wall: 302.507, 0.00301442/step, 4.10178 hours remaining, 204.199219 MB of memory in use. ENERGY: 101400 778.2403 2067.6079 1936.9288 115.3712 -205768.1590 17559.8512 0.0000 0.0000 33980.8477 -149329.3119 296.7632 -183310.1596 -149231.3465 298.6875 -132.5038 -105.5195 557873.0129 -9.2947 -9.1418 PRESSURE: 101600 -65.1394 -81.2263 -42.2057 -81.2254 132.287 59.7004 -42.2034 59.7003 -132.65 GPRESSURE: 101600 -51.5739 -31.4454 -35.1526 -47.8165 172.697 -15.2963 -71.5554 104.854 -82.1689 PRESSAVG: 101600 -31.1058 3.76218 -5.63274 3.76221 51.2793 28.815 -5.63278 28.8148 -9.92902 GPRESSAVG: 101600 -31.1283 6.40105 -8.28631 2.33379 51.2138 30.0174 -7.52451 26.3093 -9.78427 TIMING: 101600 CPU: 303.102, 0.00297723/step Wall: 303.102, 0.00297723/step, 4.05102 hours remaining, 204.199219 MB of memory in use. ENERGY: 101600 777.2096 2040.2730 1927.2852 89.8140 -206580.4816 18022.5985 0.0000 0.0000 34441.6679 -149281.6334 300.7877 -183723.3013 -149183.1873 299.0116 -21.8341 12.9848 557144.5300 3.4148 3.4337 PRESSURE: 101800 29.479 13.1086 -47.1124 13.1094 176.259 126.013 -47.1132 126.014 3.97923 GPRESSURE: 101800 19.8284 41.9809 -67.0584 -13.5287 245.931 108.142 -61.9387 184.308 28.1661 PRESSAVG: 101800 -30.1774 13.6069 -29.9336 13.6068 7.81303 38.8809 -29.9336 38.881 47.3687 GPRESSAVG: 101800 -31.1777 14.2672 -29.2302 13.254 9.05064 40.2718 -27.7974 38.7891 46.7205 TIMING: 101800 CPU: 303.7, 0.00299005/step Wall: 303.7, 0.00299005/step, 4.0683 hours remaining, 204.199219 MB of memory in use. ENERGY: 101800 788.2928 2044.5161 1956.7165 115.5405 -206616.2561 18025.9630 0.0000 0.0000 34130.6854 -149554.5419 298.0718 -183685.2273 -149457.7975 299.2364 69.9058 97.9751 556103.4147 8.3348 8.1978 PRESSURE: 102000 -84.9068 108.701 -180.225 108.7 -4.82997 26.1476 -180.225 26.1487 130.09 GPRESSURE: 102000 -31.4917 91.9957 -226.642 24.5899 -6.10789 33.5033 -176.837 69.655 167.532 PRESSAVG: 102000 -10.351 1.1651 -101.719 1.16503 42.4694 37.4137 -101.719 37.4137 -19.8698 GPRESSAVG: 102000 -10.0755 0.920477 -102.923 1.65412 40.7414 36.0428 -101.812 37.7806 -18.3436 TIMING: 102000 CPU: 304.293, 0.00296282/step Wall: 304.293, 0.00296282/step, 4.03108 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: 102000 765.3194 2066.7096 1943.0105 111.8044 -206693.9046 18054.9081 0.0000 0.0000 34326.0551 -149426.0975 299.7780 -183752.1526 -149334.0622 298.5293 13.4511 43.3109 558101.1078 4.0829 4.1074 PRESSURE: 102200 -28.448 76.6886 5.81043 76.6887 -36.2443 -54.4663 5.80985 -54.4663 133.51 GPRESSURE: 102200 6.42962 87.9468 -64.3433 39.1919 9.95795 -95.0392 11.7304 -59.4182 158.159 PRESSAVG: 102200 18.8507 44.1823 -34.6421 44.1824 -36.9974 -15.1382 -34.6421 -15.1382 6.5086 GPRESSAVG: 102200 18.2803 43.4887 -34.1432 43.7578 -35.4942 -15.6925 -34.1852 -16.0839 5.83673 TIMING: 102200 CPU: 304.891, 0.00298853/step Wall: 304.891, 0.00298853/step, 4.06589 hours remaining, 204.199219 MB of memory in use. ENERGY: 102200 740.9521 2073.5318 1921.7253 113.0367 -206522.9156 17994.4402 0.0000 0.0000 34212.3019 -149466.9277 298.7845 -183679.2295 -149367.6869 299.1607 22.9392 58.1823 557661.1834 -3.8794 -3.7924 PRESSURE: 102400 -272.714 201.06 -69.5365 201.059 -132.709 -79.3336 -69.5359 -79.3344 6.06425 GPRESSURE: 102400 -275.345 173.931 -82.7383 215.299 -53.5097 -91.228 -75.2853 -109.688 29.406 PRESSAVG: 102400 -0.513515 55.5225 27.8188 55.5225 -60.5114 -36.2092 27.8188 -36.2091 69.4088 GPRESSAVG: 102400 0.653053 56.2645 27.4566 55.3772 -60.8332 -35.027 26.4503 -35.3495 68.9614 TIMING: 102400 CPU: 305.486, 0.0029745/step Wall: 305.486, 0.0029745/step, 4.04664 hours remaining, 204.199219 MB of memory in use. ENERGY: 102400 748.3376 2117.0999 1910.6075 112.2067 -206142.9884 17671.1244 0.0000 0.0000 33997.8495 -149585.7628 296.9117 -183583.6123 -149486.5092 297.9836 -133.1197 -99.8164 557056.3991 2.7946 2.9271 PRESSURE: 102600 -204.842 266.47 -120.659 266.471 -149.398 -102.749 -120.66 -102.749 -148.214 GPRESSURE: 102600 -126.853 212.593 -40.5112 278.63 -162.673 -132.613 -75.7827 -134.608 -115.67 PRESSAVG: 102600 -3.63201 81.0719 -54.0188 81.0718 -72.4399 -24.7584 -54.0187 -24.7585 11.5101 GPRESSAVG: 102600 -4.15117 79.0092 -53.7661 83.8233 -72.7578 -24.2075 -53.5621 -25.5048 11.7234 TIMING: 102600 CPU: 306.078, 0.0029597/step Wall: 306.078, 0.0029597/step, 4.02634 hours remaining, 204.199219 MB of memory in use. ENERGY: 102600 734.2581 2077.6352 1959.3092 108.6001 -206103.0688 17415.5934 0.0000 0.0000 34091.8818 -149715.7911 297.7329 -183807.6729 -149614.1251 297.8773 -167.4846 -135.0655 556962.0412 -21.5206 -21.7285 PRESSURE: 102800 -129.667 135.4 -82.444 135.401 89.257 114.465 -82.444 114.467 -95.7279 GPRESSURE: 102800 -85.7436 148.739 14.1452 51.9477 41.5856 66.6876 -76.1195 121.23 -18.279 PRESSAVG: 102800 12.6391 45.8718 -52.5048 45.8718 -20.9761 -29.6374 -52.5048 -29.6373 19.0267 GPRESSAVG: 102800 12.5341 47.7547 -50.9334 43.2051 -21.2949 -33.6959 -53.6998 -26.4881 19.9418 TIMING: 102800 CPU: 306.672, 0.00297247/step Wall: 306.672, 0.00297247/step, 4.04355 hours remaining, 204.199219 MB of memory in use. ENERGY: 102800 744.4822 2129.6950 1942.2401 110.3777 -206619.2339 17777.9110 0.0000 0.0000 34115.4889 -149799.0390 297.9390 -183914.5279 -149699.5670 297.8435 -45.3793 -20.8124 557490.9909 3.5633 3.7270 PRESSURE: 103000 -284.022 229.944 -18.2184 229.943 190.223 -32.9238 -18.2187 -32.9236 -140.31 GPRESSURE: 103000 -259.145 231.351 -40.8732 196.577 193.741 -84.4073 44.0271 29.3268 -84.9826 PRESSAVG: 103000 -49.3106 54.8571 -34.4936 54.8571 19.9291 15.4031 -34.4936 15.4031 46.3688 GPRESSAVG: 103000 -48.5456 55.4049 -33.8569 55.8229 20.0524 18.6643 -32.2053 13.8482 45.2401 TIMING: 103000 CPU: 307.271, 0.0029936/step Wall: 307.271, 0.0029936/step, 4.07213 hours remaining, 204.199219 MB of memory in use. ENERGY: 103000 747.2771 2024.6245 1937.4735 120.8560 -206271.6593 17632.0757 0.0000 0.0000 34075.2272 -149734.1253 297.5874 -183809.3525 -149642.8056 298.2092 -78.0361 -50.1291 556043.0427 5.6624 5.5823 PRESSURE: 103200 -131.435 -133.138 -79.9741 -133.138 -110.276 56.9075 -79.9734 56.9074 32.2073 GPRESSURE: 103200 -128.073 -128.797 -35.3277 -155.899 -55.981 25.6604 -69.0606 103.526 91.8596 PRESSAVG: 103200 -34.6176 13.9428 2.82315 13.9428 33.7369 55.6694 2.82316 55.6694 -40.2126 GPRESSAVG: 103200 -34.9249 12.163 2.1734 13.7596 34.1081 55.0205 0.749916 54.8727 -39.564 TIMING: 103200 CPU: 307.876, 0.00302522/step Wall: 307.876, 0.00302522/step, 4.11497 hours remaining, 204.199219 MB of memory in use. ENERGY: 103200 800.9175 2047.8411 1968.7162 105.6561 -206690.7218 17877.6010 0.0000 0.0000 34213.7424 -149676.2475 298.7971 -183889.9899 -149585.3149 298.8735 -69.8348 -30.7313 557338.1822 -13.6978 -13.4603 PRESSURE: 103400 -114.001 0.201837 -9.3403 0.202128 153.446 -57.6939 -9.33981 -57.6926 89.2185 GPRESSURE: 103400 -89.6033 9.81815 -59.7365 52.8143 171.639 -112.815 65.004 -21.7395 131.384 PRESSAVG: 103400 8.55744 -2.76261 15.7057 -2.76264 23.244 -34.5816 15.7058 -34.5816 -6.6302 GPRESSAVG: 103400 7.89814 -2.86409 13.5795 -1.74445 23.3056 -34.851 16.5333 -35.0664 -5.7006 TIMING: 103400 CPU: 308.474, 0.00299102/step Wall: 308.474, 0.00299102/step, 4.06828 hours remaining, 204.199219 MB of memory in use. ENERGY: 103400 736.8075 2119.0809 1946.5228 105.2465 -206569.3748 17899.9967 0.0000 0.0000 34002.0277 -149759.6927 296.9482 -183761.7204 -149674.7161 299.2764 42.8880 71.1398 557536.8633 8.3904 8.5011 PRESSURE: 103600 59.6079 48.7331 15.8913 48.7329 -17.4911 77.7291 15.8902 77.7292 122.342 GPRESSURE: 103600 115.43 53.4066 -12.4576 70.8777 -21.6257 90.9858 33.2229 38.2359 163.77 PRESSAVG: 103600 4.83643 20.7528 -78.0808 20.7528 -0.124361 -7.88908 -78.0808 -7.88918 -9.90536 GPRESSAVG: 103600 4.96613 22.3753 -76.692 19.7248 0.575732 -6.18059 -78.2279 -9.40163 -10.8201 TIMING: 103600 CPU: 309.074, 0.00299952/step Wall: 309.074, 0.00299952/step, 4.07968 hours remaining, 204.199219 MB of memory in use. ENERGY: 103600 727.4728 2068.9314 1933.9271 121.8919 -206810.3077 18013.6560 0.0000 0.0000 34145.4649 -149798.9635 298.2008 -183944.4285 -149697.2963 297.7919 54.8197 85.8583 557160.7070 -1.7311 -1.7594 PRESSURE: 103800 -89.0793 30.7369 74.473 30.7353 -1.10397 164.788 74.472 164.79 308.964 GPRESSURE: 103800 -37.5196 19.0027 86.6995 2.02641 47.8506 71.0425 47.08 177.844 295.442 PRESSAVG: 103800 -22.9604 -16.8799 -13.2436 -16.8798 5.90469 -9.09553 -13.2435 -9.09539 10.7226 GPRESSAVG: 103800 -21.3728 -15.9874 -14.0346 -18.6511 4.81333 -11.3925 -11.6454 -9.12547 10.3026 TIMING: 103800 CPU: 309.68, 0.00302931/step Wall: 309.68, 0.00302931/step, 4.12003 hours remaining, 204.199219 MB of memory in use. ENERGY: 103800 742.8429 2037.1035 1956.5322 114.0446 -206771.0229 17979.1869 0.0000 0.0000 34168.7300 -149772.5827 298.4040 -183941.3127 -149671.9506 297.5320 72.9268 101.9242 557452.2788 -2.1110 -2.0856 PRESSURE: 104000 -160.837 -20.3642 -15.3361 -20.3636 13.3036 -111.477 -15.3369 -111.478 -104.12 GPRESSURE: 104000 -155.012 62.1905 -28.5693 -64.4273 24.9596 -45.6624 42.7895 -164.027 -17.7983 PRESSAVG: 104000 -29.3132 34.3236 32.5256 34.3234 10.6532 11.1493 32.5257 11.1493 25.3781 GPRESSAVG: 104000 -30.7073 32.9709 32.6902 36.3723 10.9154 14.8278 29.2493 12.2781 26.7854 TIMING: 104000 CPU: 310.281, 0.00300538/step Wall: 310.281, 0.00300538/step, 4.08732 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: 104000 737.7585 2080.3723 1945.8109 120.5278 -206609.6130 17761.9315 0.0000 0.0000 34099.8604 -149863.3516 297.8026 -183963.2119 -149767.4530 297.9091 -83.8845 -49.2835 556511.7913 2.2394 2.3312 PRESSURE: 104200 -45.6206 139.518 -2.23983 139.518 -305.676 133.619 -2.2385 133.619 -205.472 GPRESSURE: 104200 -76.2225 95.3809 -75.5763 165.786 -189.289 171.862 109.38 150.152 -198.478 PRESSAVG: 104200 -27.1521 2.37503 39.1385 2.37498 -21.4518 19.7381 39.1386 19.7381 64.6911 GPRESSAVG: 104200 -27.413 1.51752 39.3315 3.35623 -20.4591 16.8083 41.3532 18.3523 64.137 TIMING: 104200 CPU: 310.874, 0.00296544/step Wall: 310.874, 0.00296544/step, 4.03283 hours remaining, 204.199219 MB of memory in use. ENERGY: 104200 741.8725 2129.3419 1955.5835 115.4580 -206497.1489 17599.1458 0.0000 0.0000 34085.5151 -149870.2320 297.6773 -183955.7471 -149777.1561 297.9130 -185.5894 -154.6631 556163.2885 5.3624 5.4216 LDB: ============= START OF LOAD BALANCING ============== 314.389 LDB: ============== END OF LOAD BALANCING =============== 314.389 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 314.391 LDB: ============= START OF LOAD BALANCING ============== 314.69 LDB: Largest compute 4773 load 0.032300 is 27.4% of average load 0.117755 LDB: Average compute 0.001736 is 1.5% of average load 0.117755 LDB: TIME 314.693 LOAD: AVG 0.117755 MAX 0.209313 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.215 MB LDB: TIME 314.693 LOAD: AVG 0.117755 MAX 0.209313 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.215 MB LDB: TIME 314.693 LOAD: AVG 0.117755 MAX 0.209313 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.215 MB LDB: ============== END OF LOAD BALANCING =============== 314.695 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 314.699 PRESSURE: 104400 134.292 10.8714 71.0315 10.8733 -22.8134 97.2623 71.0313 97.2616 21.9821 GPRESSURE: 104400 196.844 49.9566 -0.911094 76.4461 3.18786 45.2119 51.6517 115.877 21.0569 PRESSAVG: 104400 -25.192 14.4354 27.0672 14.4354 -2.24812 36.9185 27.0672 36.9185 54.9717 GPRESSAVG: 104400 -23.7878 15.3057 28.3249 12.9559 -3.37741 35.5013 27.7776 37.9146 54.5338 TIMING: 104400 CPU: 311.482, 0.00304156/step Wall: 311.482, 0.00304156/step, 4.13619 hours remaining, 205.476562 MB of memory in use. ENERGY: 104400 734.8206 2124.3531 1957.3729 104.0756 -206807.2134 17800.4784 0.0000 0.0000 34250.5114 -149835.6015 299.1182 -184086.1129 -149738.1371 297.5146 44.4871 73.6964 555120.2474 9.1772 9.1229 PRESSURE: 104600 -93.3905 -58.5491 172.574 -58.548 -211.998 7.64133 172.575 7.64209 93.569 GPRESSURE: 104600 -53.4966 -29.8039 172.477 -110.38 -197.279 77.4147 139.187 -72.7815 125.595 PRESSAVG: 104600 9.89039 -0.892295 -25.8885 -0.892303 -41.1823 13.999 -25.8885 13.9991 12.2856 GPRESSAVG: 104600 8.35153 -1.85612 -25.882 -1.01882 -38.8252 14.7055 -25.9709 14.2053 11.1901 TIMING: 104600 CPU: 312.076, 0.00296909/step Wall: 312.076, 0.00296909/step, 4.03747 hours remaining, 205.546875 MB of memory in use. ENERGY: 104600 753.9056 2083.8136 1942.1420 125.6863 -206644.2802 17810.0865 0.0000 0.0000 34146.7044 -149781.9417 298.2117 -183928.6461 -149684.2049 298.1573 -70.6066 -41.7271 556462.3841 -6.3354 -6.4278 PRESSURE: 104800 -56.0232 -22.1622 153.442 -22.1626 150.106 17.0427 153.441 17.0431 140.392 GPRESSURE: 104800 8.93602 49.0475 188.921 -61.9009 184.866 -50.6174 173.164 -3.49061 143.034 PRESSAVG: 104800 -21.9262 77.0841 34.632 77.084 -12.4924 56.0949 34.6321 56.0949 37.0451 GPRESSAVG: 104800 -20.8362 78.0985 33.7211 76.4574 -14.6356 55.8055 36.5125 56.4584 38.645 TIMING: 104800 CPU: 312.672, 0.0029816/step Wall: 312.672, 0.0029816/step, 4.05431 hours remaining, 205.546875 MB of memory in use. ENERGY: 104800 716.1080 2090.3365 1939.4638 134.4447 -206807.3734 17985.8268 0.0000 0.0000 34230.4693 -149710.7242 298.9432 -183941.1935 -149615.2533 297.7671 78.1581 112.2789 555987.7026 0.8755 1.0577 PRESSURE: 105000 -153.486 32.2767 65.2554 32.2766 203.103 66.1329 65.2558 66.1332 -30.6281 GPRESSURE: 105000 -123.888 101.61 80.9936 -38.3992 214.368 55.6241 84.161 84.02 28.9354 PRESSAVG: 105000 -82.0647 -28.4324 -22.0442 -28.4324 81.096 6.16267 -22.0442 6.16281 6.63622 GPRESSAVG: 105000 -81.6888 -28.0996 -23.8033 -27.2701 81.77 7.99866 -24.4964 7.19773 5.05917 TIMING: 105000 CPU: 313.269, 0.0029836/step Wall: 313.269, 0.0029836/step, 4.05687 hours remaining, 205.546875 MB of memory in use. ENERGY: 105000 750.3764 2108.9351 1938.2038 124.4186 -206461.9003 17867.6673 0.0000 0.0000 33913.5140 -149758.7851 296.1752 -183672.2992 -149657.3509 297.5564 6.3298 39.8050 556274.6871 1.8892 1.7135 PRESSURE: 105200 -37.4419 34.0354 -3.49312 34.0363 -220.782 -75.0125 -3.49266 -75.0107 -20.0352 GPRESSURE: 105200 -50.2356 1.7288 14.3914 -1.99258 -176.954 -55.652 -23.6835 -105.826 58.6608 PRESSAVG: 105200 -76.5634 -9.89575 -21.1826 -9.89579 42.8774 -20.9665 -21.1825 -20.9666 71.2027 GPRESSAVG: 105200 -77.2736 -9.75383 -19.9193 -11.0403 43.3396 -20.1318 -20.9253 -20.4193 72.0487 TIMING: 105200 CPU: 313.868, 0.00299428/step Wall: 313.868, 0.00299428/step, 4.07122 hours remaining, 205.546875 MB of memory in use. ENERGY: 105200 770.6992 2080.8534 1938.9413 117.1392 -206717.6226 17751.5876 0.0000 0.0000 34324.8475 -149733.5544 299.7674 -184058.4019 -149633.7313 298.3020 -92.7531 -56.1764 557815.3220 12.5055 12.7049 PRESSURE: 105400 -152.666 52.8562 126.733 52.8568 11.7874 2.91971 126.734 2.91807 183.17 GPRESSURE: 105400 -92.8916 -34.9582 97.6485 92.7917 39.0172 89.7953 261.728 -36.2029 209.633 PRESSAVG: 105400 -71.3307 -5.10712 -48.1344 -5.10717 20.2054 -27.1735 -48.1344 -27.1735 83.4763 GPRESSAVG: 105400 -69.38 -5.65295 -48.43 -6.09448 19.4344 -26.6959 -47.3824 -29.1975 82.4198 TIMING: 105400 CPU: 314.469, 0.00300349/step Wall: 314.469, 0.00300349/step, 4.08358 hours remaining, 205.546875 MB of memory in use. ENERGY: 105400 727.6685 2108.6335 1939.1822 114.2592 -206498.0146 17740.3699 0.0000 0.0000 34278.0893 -149589.8121 299.3591 -183867.9014 -149498.1424 298.1299 14.0972 51.9196 556732.7710 10.7836 10.8248 PRESSURE: 105600 -296.152 -10.9424 -75.7662 -10.9428 20.7994 -204.16 -75.7665 -204.159 -236.506 GPRESSURE: 105600 -247.666 -18.9196 -140.74 28.6654 34.7916 -264.643 -32.6488 -198.155 -210.337 PRESSAVG: 105600 -25.6545 7.19758 7.52546 7.19758 -22.1809 -18.1486 7.52544 -18.1487 29.2357 GPRESSAVG: 105600 -25.9911 7.83478 9.83135 8.64852 -22.0698 -22.3649 4.21117 -16.1068 29.877 TIMING: 105600 CPU: 315.065, 0.00298286/step Wall: 315.065, 0.00298286/step, 4.05537 hours remaining, 205.546875 MB of memory in use. ENERGY: 105600 772.4606 2111.6133 1966.3418 113.1038 -206588.2134 17819.2580 0.0000 0.0000 34141.1753 -149664.2606 298.1634 -183805.4360 -149565.7699 298.3081 -170.6195 -141.0704 558123.6791 -6.1999 -6.0613 PRESSURE: 105800 0.608315 170.861 85.962 170.863 115.078 -63.3182 85.9614 -63.3187 154.624 GPRESSURE: 105800 31.8143 209.585 158.873 167.547 193.948 -36.9283 122.949 -67.9102 143.154 PRESSAVG: 105800 -22.4871 27.0889 -20.7205 27.0889 9.95948 -15.157 -20.7205 -15.157 53.1722 GPRESSAVG: 105800 -23.3435 26.0193 -20.6893 28.7679 11.0059 -14.2171 -18.0487 -15.4033 53.2979 TIMING: 105800 CPU: 315.659, 0.00296656/step Wall: 315.659, 0.00296656/step, 4.03304 hours remaining, 205.546875 MB of memory in use. ENERGY: 105800 729.5881 2061.9183 1949.2820 112.6199 -206511.5710 18015.1232 0.0000 0.0000 34011.0935 -149631.9460 297.0273 -183643.0395 -149531.0911 298.1855 90.1032 122.9721 557686.1801 13.5482 13.6534 PRESSURE: 106000 194.66 -108.426 21.6974 -108.425 58.389 -19.6424 21.6971 -19.6422 -208.39 GPRESSURE: 106000 241.25 -85.8201 42.0283 -87.9063 82.7292 -27.3238 99.8412 -38.2651 -190.692 PRESSAVG: 106000 -29.0672 -18.7179 16.6348 -18.7179 14.0007 4.82614 16.6349 4.82613 36.8633 GPRESSAVG: 106000 -28.3471 -20.2349 14.8886 -21.3002 13.7437 5.28426 15.3734 2.83511 36.5508 TIMING: 106000 CPU: 316.256, 0.00298844/step Wall: 316.256, 0.00298844/step, 4.06262 hours remaining, 205.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 106000 724.2748 2078.4251 1949.9398 138.4087 -206506.1722 17957.2067 0.0000 0.0000 34087.3890 -149570.5281 297.6936 -183657.9171 -149474.4588 297.4858 14.8863 44.4291 557215.7480 7.2656 7.3158 PRESSURE: 106200 -379.655 -131.294 -11.3589 -131.295 -527.399 -72.8531 -11.3579 -72.854 -261.697 GPRESSURE: 106200 -343.124 -173.877 -20.4173 -81.9037 -515.344 -57.8951 -28.9732 -70.9968 -215.187 PRESSAVG: 106200 0.113379 -61.7007 54.0393 -61.7007 26.7921 -45.0252 54.0393 -45.0251 -34.7912 GPRESSAVG: 106200 -0.945103 -60.3526 52.4763 -59.3067 26.723 -44.8725 55.8696 -43.8906 -33.9117 TIMING: 106200 CPU: 316.855, 0.00299273/step Wall: 316.855, 0.00299273/step, 4.06829 hours remaining, 205.546875 MB of memory in use. ENERGY: 106200 772.5273 2047.4096 1931.4001 130.6438 -205689.8250 17305.3468 0.0000 0.0000 34085.2806 -149417.2168 297.6752 -183502.4974 -149325.3139 298.6673 -389.5836 -357.8847 558269.9334 -2.6286 -2.7113 PRESSURE: 106400 -177.302 52.6959 47.3817 52.6966 -34.0709 -80.5325 47.3822 -80.5331 -21.0868 GPRESSURE: 106400 -169.368 97.1844 11.1903 50.404 10.2048 -22.3511 64.2553 -95.2798 41.0304 PRESSAVG: 106400 -29.7024 -5.32599 13.8745 -5.3259 -2.38948 -43.5877 13.8746 -43.5876 -2.32279 GPRESSAVG: 106400 -29.0093 -6.58677 14.4577 -4.54997 -1.77444 -45.6843 14.7297 -42.9682 -3.10238 TIMING: 106400 CPU: 317.455, 0.00299894/step Wall: 317.455, 0.00299894/step, 4.07656 hours remaining, 205.546875 MB of memory in use. ENERGY: 106400 751.7785 2051.7164 1936.8862 120.0827 -205965.1189 17662.0478 0.0000 0.0000 34154.9322 -149287.6751 298.2835 -183442.6073 -149198.9832 298.8508 -77.4865 -39.3775 557556.7089 -11.4716 -11.2954 PRESSURE: 106600 316.819 -93.7036 66.9083 -93.7021 105.948 5.32898 66.9083 5.33016 119.97 GPRESSURE: 106600 330.304 -27.5449 7.52618 -81.8303 140.097 13.2329 109.547 -3.45914 168.867 PRESSAVG: 106600 -43.8196 -29.9684 5.23048 -29.9683 -8.38053 53.1786 5.23048 53.1787 13.7541 GPRESSAVG: 106600 -43.3872 -29.0101 5.54833 -29.4969 -9.63507 54.6337 4.52253 53.6442 14.5312 TIMING: 106600 CPU: 318.051, 0.00298124/step Wall: 318.051, 0.00298123/step, 4.05233 hours remaining, 205.546875 MB of memory in use. ENERGY: 106600 725.9680 2044.0610 1955.1673 119.3404 -206498.5028 17990.4515 0.0000 0.0000 34369.6414 -149293.8731 300.1586 -183663.5145 -149198.2543 299.2838 180.9123 213.0895 555346.9985 -12.8153 -12.8304 PRESSURE: 106800 -135.957 132.553 -43.3716 132.552 -75.061 -98.1968 -43.3727 -98.1967 -67.7279 GPRESSURE: 106800 -105.035 79.3746 -62.8178 200.45 7.70182 -124.616 -16.4752 20.6493 -91.6526 PRESSAVG: 106800 -49.0499 -0.234831 -35.5945 -0.234814 18.2697 -21.6002 -35.5945 -21.6001 65.1223 GPRESSAVG: 106800 -47.8651 0.0565112 -35.4446 -1.81663 18.5987 -21.1696 -36.6467 -24.5921 63.7488 TIMING: 106800 CPU: 318.643, 0.00295906/step Wall: 318.643, 0.00295906/step, 4.02202 hours remaining, 205.546875 MB of memory in use. ENERGY: 106800 740.7560 2062.1747 1949.9539 126.2262 -206181.5673 17765.4063 0.0000 0.0000 34182.0672 -149354.9830 298.5205 -183537.0502 -149270.2202 298.6960 -92.9155 -62.9953 558611.3312 11.4474 11.4942 PRESSURE: 107000 -255.163 -32.8907 -53.5449 -32.89 -152.084 -83.4867 -53.5462 -83.4876 -80.2601 GPRESSURE: 107000 -230.284 -63.4997 -39.8217 3.13434 -102.786 -103.944 -64.5067 -43.1685 -65.5893 PRESSAVG: 107000 -39.3988 24.127 -41.4803 24.127 5.05916 -16.0834 -41.4803 -16.0834 21.207 GPRESSAVG: 107000 -39.9202 25.7983 -41.7244 24.641 4.86589 -14.9301 -41.4999 -16.9223 22.2252 TIMING: 107000 CPU: 319.234, 0.00295572/step Wall: 319.234, 0.00295572/step, 4.01731 hours remaining, 205.546875 MB of memory in use. ENERGY: 107000 723.0550 2138.0176 1939.2630 102.6101 -205907.3090 17571.8796 0.0000 0.0000 34174.5027 -149257.9811 298.4544 -183432.4838 -149155.7763 298.8020 -162.5023 -132.8867 557796.3351 -4.3776 -4.2764 PRESSURE: 107200 -404.023 106.307 -77.8293 106.307 -227.106 -36.7489 -77.83 -36.7493 -166.956 GPRESSURE: 107200 -405.588 70.8245 -111.33 113.742 -169.083 10.6133 2.83287 -30.4035 -137.044 PRESSAVG: 107200 -15.6137 47.4568 -63.7834 47.4568 28.428 -7.78898 -63.7835 -7.78887 8.18184 GPRESSAVG: 107200 -15.6256 45.9299 -61.858 45.6195 27.9715 -7.53869 -64.5196 -5.37633 8.43009 TIMING: 107200 CPU: 319.828, 0.00297088/step Wall: 319.828, 0.00297088/step, 4.03776 hours remaining, 205.546875 MB of memory in use. ENERGY: 107200 732.8971 2123.1968 1942.2512 105.7499 -205752.5330 17405.2828 0.0000 0.0000 34105.6604 -149337.4948 297.8532 -183443.1552 -149243.4545 298.7873 -266.0282 -237.2384 557535.4063 6.9987 6.9253 PRESSURE: 107400 129.726 -42.8051 -214.52 -42.8059 63.8917 106.308 -214.52 106.306 -92.4154 GPRESSURE: 107400 65.5592 66.5453 -243.243 -92.4045 150.824 67.0285 -228.683 43.454 -34.6451 PRESSAVG: 107400 19.8301 5.13784 -33.5615 5.13787 34.8643 4.7053 -33.5616 4.70514 -13.3525 GPRESSAVG: 107400 18.9624 5.80418 -34.399 4.58204 36.3872 4.07392 -34.0191 1.98604 -13.5631 TIMING: 107400 CPU: 320.42, 0.00296278/step Wall: 320.42, 0.00296278/step, 4.02658 hours remaining, 205.546875 MB of memory in use. ENERGY: 107400 717.5644 2137.2425 1954.2079 115.5815 -206000.3654 17759.8214 0.0000 0.0000 34129.3552 -149186.5925 298.0601 -183315.9476 -149093.2230 298.7971 33.7343 60.5793 556837.8831 13.7807 13.9288 PRESSURE: 107600 59.5608 -25.6206 89.0076 -25.6215 -6.19704 0.954558 89.008 0.955735 129.582 GPRESSURE: 107600 103.823 13.8425 91.8943 -34.96 14.5997 -95.7892 70.8857 27.0896 175.521 PRESSAVG: 107600 -66.6198 -13.5927 -57.7443 -13.5927 6.81106 -17.5169 -57.7442 -17.5169 32.7288 GPRESSAVG: 107600 -65.9651 -13.8967 -58.6215 -11.5216 6.1808 -17.9674 -55.631 -16.1456 33.2298 TIMING: 107600 CPU: 321.015, 0.00297332/step Wall: 321.015, 0.00297332/step, 4.04074 hours remaining, 205.546875 MB of memory in use. ENERGY: 107600 709.5555 2075.5154 1970.6973 122.4517 -206248.0937 17843.2378 0.0000 0.0000 34278.7953 -149247.8406 299.3652 -183526.6359 -149156.2509 298.3673 60.9818 97.9814 557629.3509 -9.0267 -8.8515 PRESSURE: 107800 -0.785135 197.486 253.174 197.487 12.7463 -5.02601 253.174 -5.02729 -56.4889 GPRESSURE: 107800 12.3858 155.528 151.186 238.077 59.1035 6.69121 242.222 -18.0894 -17.5574 PRESSAVG: 107800 -33.6243 -6.60469 6.94864 -6.60469 41.0893 -32.8517 6.94853 -32.8517 25.5925 GPRESSAVG: 107800 -34.8422 -7.1747 7.45208 -8.07377 41.6415 -31.1732 6.76223 -34.1629 25.9244 TIMING: 107800 CPU: 321.611, 0.00297855/step Wall: 321.611, 0.00297855/step, 4.04769 hours remaining, 205.546875 MB of memory in use. ENERGY: 107800 800.1127 2061.8895 1948.5512 121.9105 -206374.4460 17974.9619 0.0000 0.0000 34392.8306 -149074.1897 300.3611 -183467.0203 -148982.3236 299.2883 -14.8426 17.9773 557216.0189 11.0192 10.9079 PRESSURE: 108000 -65.8699 -109.516 100.753 -109.514 -251.823 16.67 100.752 16.6709 99.707 GPRESSURE: 108000 -1.41222 -75.5301 148.821 -147.728 -194.362 38.0959 22.4205 -34.3056 75.0228 PRESSAVG: 108000 -68.3137 12.137 61.9347 12.1372 -28.4464 25.2307 61.9346 25.2308 58.5321 GPRESSAVG: 108000 -67.5509 11.7689 60.8903 11.968 -28.0329 23.1263 60.7639 26.1094 57.209 TIMING: 108000 CPU: 322.21, 0.00299579/step Wall: 322.21, 0.00299579/step, 4.07095 hours remaining, 205.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 108000 768.7781 2088.6464 1948.0519 103.7403 -206045.0859 17824.2298 0.0000 0.0000 34091.0609 -149220.5784 297.7257 -183311.6393 -149120.3480 299.6274 -72.6619 -40.2506 559737.5709 -12.7427 -12.7916 PRESSURE: 108200 212.953 17.9563 66.187 17.9559 -234.45 97.5401 66.1871 97.5402 175.783 GPRESSURE: 108200 235.023 20.7349 150.201 88.7212 -210.066 116.954 44.2809 117.577 213.034 PRESSAVG: 108200 -22.3787 20.6074 33.0901 20.6075 -63.284 21.0595 33.0901 21.0594 93.8533 GPRESSAVG: 108200 -22.2995 20.9459 33.331 20.5975 -62.7586 22.0927 34.0783 22.6493 93.1527 TIMING: 108200 CPU: 322.808, 0.00299008/step Wall: 322.808, 0.00299008/step, 4.06303 hours remaining, 205.546875 MB of memory in use. ENERGY: 108200 775.0066 2055.4043 1947.8773 113.8789 -206179.7986 17788.6855 0.0000 0.0000 34372.7098 -149126.2362 300.1854 -183498.9461 -149025.5201 299.8762 51.4285 79.3303 559261.2975 2.7302 2.6982 LDB: ============= START OF LOAD BALANCING ============== 326.327 LDB: ============== END OF LOAD BALANCING =============== 326.327 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 326.329 LDB: ============= START OF LOAD BALANCING ============== 326.629 LDB: Largest compute 4773 load 0.033460 is 28.4% of average load 0.117727 LDB: Average compute 0.001736 is 1.5% of average load 0.117727 LDB: TIME 326.631 LOAD: AVG 0.117727 MAX 0.207623 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.078 MB LDB: TIME 326.632 LOAD: AVG 0.117727 MAX 0.207623 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.078 MB LDB: TIME 326.632 LOAD: AVG 0.117727 MAX 0.207623 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.078 MB LDB: ============== END OF LOAD BALANCING =============== 326.634 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 326.638 PRESSURE: 108400 200.577 58.29 33.6295 58.2896 -19.0542 -23.7494 33.6289 -23.7492 -30.9393 GPRESSURE: 108400 226.198 70.8187 -1.936 92.353 19.058 -31.2995 81.4755 51.2881 15.9157 PRESSAVG: 108400 78.4245 39.6665 35.8416 39.6665 -45.0799 -49.9587 35.8415 -49.9587 9.91491 GPRESSAVG: 108400 78.1111 40.2264 35.2824 38.7278 -46.6299 -49.0962 34.2441 -50.7295 11.5934 TIMING: 108400 CPU: 323.421, 0.00306681/step Wall: 323.421, 0.00306681/step, 4.16711 hours remaining, 203.167969 MB of memory in use. ENERGY: 108400 702.2046 2069.4640 1962.0711 117.3740 -205607.8322 17568.6627 0.0000 0.0000 34340.3857 -148847.6700 299.9031 -183188.0557 -148755.4445 299.5260 50.1946 87.0572 558913.4131 14.4198 14.3582 PRESSURE: 108600 266.567 -38.9826 -50.0716 -38.9831 95.9952 46.0002 -50.0701 46.001 352.36 GPRESSURE: 108600 270.965 -84.0703 -71.14 -41.5424 147.407 100.201 -72.4564 32.3522 399.663 PRESSAVG: 108600 -18.7117 22.952 -46.9597 22.952 2.36526 6.13877 -46.9596 6.13877 17.3206 GPRESSAVG: 108600 -18.6329 20.7987 -44.9048 27.0416 3.14763 6.19762 -46.4027 5.78295 16.0262 TIMING: 108600 CPU: 324.02, 0.00299277/step Wall: 324.02, 0.00299277/step, 4.06635 hours remaining, 203.574219 MB of memory in use. ENERGY: 108600 702.3846 2029.0346 1968.1204 114.8900 -206075.0055 18063.6072 0.0000 0.0000 34351.5757 -148845.3928 300.0009 -183196.9686 -148745.1644 300.5281 238.3075 272.6779 557537.4670 0.3247 0.1803 PRESSURE: 108800 -12.7786 -28.0211 60.5828 -28.0213 -91.0718 -21.7798 60.5822 -21.782 -260.026 GPRESSURE: 108800 -10.8054 8.25394 -9.34781 40.9866 -82.3218 -3.75764 85.6342 -55.7877 -166.6 PRESSAVG: 108800 -9.50249 9.58968 18.5877 9.58973 24.1913 9.07794 18.5877 9.07798 38.3682 GPRESSAVG: 108800 -10.3364 9.3985 17.2206 7.16805 25.167 8.62489 19.9943 8.33929 38.1403 TIMING: 108800 CPU: 324.618, 0.00298865/step Wall: 324.618, 0.00298865/step, 4.06058 hours remaining, 203.574219 MB of memory in use. ENERGY: 108800 717.9553 2090.7453 1943.0342 116.1371 -205549.6020 17631.2612 0.0000 0.0000 34242.7596 -148807.7094 299.0505 -183050.4689 -148713.9265 300.3108 -121.2922 -86.5756 559783.9925 17.6857 17.6570 PRESSURE: 109000 106.489 -96.9867 49.0201 -96.9874 54.5659 -0.882476 49.0204 -0.883416 98.6266 GPRESSURE: 109000 147.806 -68.0264 -43.9788 -44.2766 101.781 3.54008 35.6827 44.0297 97.8835 PRESSAVG: 109000 -78.3837 -46.7592 43.7115 -46.7592 15.1201 -11.0868 43.7114 -11.0868 -8.09457 GPRESSAVG: 109000 -78.0141 -48.0081 42.6761 -46.2693 14.6935 -13.2848 41.2832 -11.4279 -8.21274 TIMING: 109000 CPU: 325.215, 0.0029881/step Wall: 325.215, 0.0029881/step, 4.05966 hours remaining, 203.574219 MB of memory in use. ENERGY: 109000 706.7998 2090.2511 1946.1719 130.5003 -205928.4852 17954.8555 0.0000 0.0000 34376.2667 -148723.6400 300.2165 -183099.9067 -148622.0871 300.0472 86.5606 115.8233 559073.4742 -23.7861 -23.8444 PRESSURE: 109200 -296.968 -106.549 -0.760944 -106.548 1.39985 66.2616 -0.760422 66.2609 21.9549 GPRESSURE: 109200 -248.886 -104.057 47.4311 -76.5208 65.3636 14.8878 35.02 105.637 3.91063 PRESSAVG: 109200 -27.7183 -36.8002 14.2482 -36.8002 35.2918 -9.62163 14.2483 -9.6215 65.7976 GPRESSAVG: 109200 -27.4618 -35.0962 15.857 -35.703 34.8 -9.66186 15.7688 -9.49329 66.2393 TIMING: 109200 CPU: 325.81, 0.00297408/step Wall: 325.81, 0.00297408/step, 4.04045 hours remaining, 203.574219 MB of memory in use. ENERGY: 109200 739.0736 2190.5958 1921.4381 128.3523 -205476.2574 17508.2530 0.0000 0.0000 34309.2146 -148679.3298 299.6309 -182988.5444 -148582.4090 300.0930 -91.2044 -59.8706 559503.2904 24.4570 24.5258 PRESSURE: 109400 -124.169 -2.07384 -19.3684 -2.07248 -104.816 16.5211 -19.3681 16.5217 -299.792 GPRESSURE: 109400 -101.587 -3.98152 -75.0124 1.5539 -64.7173 -16.4248 -59.5954 -27.8079 -275.9 PRESSAVG: 109400 12.8193 -50.5686 39.1803 -50.5687 -0.639441 19.4072 39.1803 19.4071 -20.9498 GPRESSAVG: 109400 12.0132 -51.5186 39.0106 -50.0822 -0.146111 23.2009 39.7631 19.1811 -21.0477 TIMING: 109400 CPU: 326.416, 0.00302894/step Wall: 326.416, 0.00302894/step, 4.11482 hours remaining, 203.574219 MB of memory in use. ENERGY: 109400 720.8827 2083.5505 1944.5383 115.8422 -205559.3623 17396.6662 0.0000 0.0000 34608.2773 -148689.6051 302.2427 -183297.8824 -148588.1754 300.6395 -176.2591 -147.4015 557448.2944 -2.9233 -3.0602 PRESSURE: 109600 -145.218 -174.411 13.126 -174.412 -176.167 205.063 13.1265 205.062 -84.4522 GPRESSURE: 109600 -158.748 -179.066 12.878 -112.496 -142.577 112.258 -35.0628 236.721 -19.7648 PRESSAVG: 109600 -53.4879 -46.2705 20.4759 -46.2705 74.8858 37.9107 20.4759 37.9106 10.26 GPRESSAVG: 109600 -52.3328 -45.6974 20.1176 -46.7446 74.0643 36.2121 19.4492 37.5568 9.3262 TIMING: 109600 CPU: 327.019, 0.0030162/step Wall: 327.019, 0.0030162/step, 4.09733 hours remaining, 203.574219 MB of memory in use. ENERGY: 109600 768.2647 2085.9474 1980.7970 112.2307 -205667.0575 17499.6585 0.0000 0.0000 34554.2290 -148665.9301 301.7707 -183220.1590 -148571.3909 300.6458 -135.2792 -107.0296 557797.2863 10.5526 10.3526 PRESSURE: 109800 -203.528 -173.436 -51.345 -173.436 -127.854 57.0748 -51.3452 57.076 -265.146 GPRESSURE: 109800 -141.525 -44.1598 14.1738 -216.965 -178.959 46.8949 -77.7599 83.9692 -180.249 PRESSAVG: 109800 31.4269 -54.9824 -30.5483 -54.9824 16.5902 38.1948 -30.5484 38.1948 -10.8097 GPRESSAVG: 109800 31.5503 -55.0805 -30.2682 -54.0812 15.7897 37.1862 -32.3699 40.7243 -9.94751 TIMING: 109800 CPU: 327.62, 0.00300537/step Wall: 327.62, 0.00300537/step, 4.08245 hours remaining, 203.574219 MB of memory in use. ENERGY: 109800 745.6203 2148.6916 1941.1931 105.9526 -205561.3811 17599.8220 0.0000 0.0000 34194.8847 -148825.2167 298.6324 -183020.1015 -148722.9759 300.7302 -198.8426 -166.9110 559671.9049 12.4025 12.4641 PRESSURE: 110000 -49.2078 38.6564 72.6801 38.6554 175.768 11.2798 72.6803 11.2807 -214.435 GPRESSURE: 110000 -63.7564 23.5312 70.4008 116.146 200.778 -63.2936 18.5047 146.67 -120.277 PRESSAVG: 110000 26.006 22.1193 65.9824 22.1192 23.8735 18.2062 65.9825 18.2062 -41.5316 GPRESSAVG: 110000 25.8731 23.8671 66.8302 19.7017 24.1013 18.5129 66.2208 16.0138 -42.0787 TIMING: 110000 CPU: 328.22, 0.00299869/step Wall: 328.22, 0.00299869/step, 4.07322 hours remaining, 203.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 110000 777.4383 2133.6757 1930.0089 119.6693 -205948.6574 17830.1181 0.0000 0.0000 34469.3532 -148688.3940 301.0294 -183157.7472 -148585.0835 300.5841 -29.2916 5.5814 557636.2152 2.7826 2.6319 PRESSURE: 110200 -5.4536 110.421 253.927 110.421 124.155 101.972 253.928 101.972 -183.989 GPRESSURE: 110200 -41.5773 53.1308 260.574 175.229 214.128 86.8635 165.63 165.091 -135.708 PRESSAVG: 110200 -102.961 2.59939 23.8456 2.59944 88.3437 66.2323 23.8456 66.2323 9.30532 GPRESSAVG: 110200 -103.61 1.53677 24.0112 3.81237 88.2324 64.8663 22.7189 67.153 9.50404 TIMING: 110200 CPU: 328.817, 0.00298565/step Wall: 328.817, 0.00298565/step, 4.05534 hours remaining, 203.574219 MB of memory in use. ENERGY: 110200 754.4463 2112.2701 1920.2326 116.7577 -205931.5985 17819.0609 0.0000 0.0000 34552.3734 -148656.4575 301.7545 -183208.8310 -148560.3741 300.9522 -21.7625 12.2810 559086.5632 -1.7706 -1.9579 PRESSURE: 110400 -86.8771 -17.9184 -5.6268 -17.9181 -159.711 23.761 -5.62693 23.761 -242.659 GPRESSURE: 110400 -62.5391 -50.8642 60.2254 83.0054 -105.769 55.136 -92.4771 23.7962 -224.916 PRESSAVG: 110400 -49.5104 27.9044 55.8217 27.9044 -11.1083 89.2598 55.8217 89.2599 52.5304 GPRESSAVG: 110400 -50.4114 26.74 55.5343 29.6746 -10.3582 89.9994 57.5443 87.7257 52.5712 TIMING: 110400 CPU: 329.416, 0.00299615/step Wall: 329.416, 0.00299616/step, 4.06944 hours remaining, 203.574219 MB of memory in use. ENERGY: 110400 758.1752 2074.0037 1924.3017 112.8768 -205505.9919 17593.4436 0.0000 0.0000 34333.4872 -148709.7036 299.8429 -183043.1908 -148607.3203 300.8938 -163.0824 -131.0745 559044.9639 -2.6961 -2.7328 PRESSURE: 110600 -17.5926 -33.4793 -34.8707 -33.4791 -217.371 43.8704 -34.8697 43.8701 -58.1645 GPRESSURE: 110600 18.8205 -24.1177 -11.2281 -41.1816 -193.51 -12.7872 15.9146 96.9429 -19.573 PRESSAVG: 110600 -12.9078 -58.3124 -47.0917 -58.3125 -26.0153 4.51502 -47.0918 4.51491 38.1038 GPRESSAVG: 110600 -11.9925 -56.3058 -46.976 -61.4287 -26.7437 4.85787 -47.2266 4.93067 37.8612 TIMING: 110600 CPU: 330.009, 0.0029636/step Wall: 330.009, 0.0029636/step, 4.02507 hours remaining, 203.574219 MB of memory in use. ENERGY: 110600 749.7195 2089.6207 1934.6686 123.6977 -205821.7051 17709.3872 0.0000 0.0000 34623.1566 -148591.4547 302.3726 -183214.6114 -148495.5855 300.2851 -97.7093 -64.7542 560265.3367 -0.2731 -0.2917 PRESSURE: 110800 -355.367 12.2917 36.4476 12.2924 118.815 -82.7788 36.446 -82.7787 178.652 GPRESSURE: 110800 -262.141 29.6975 42.1694 -0.973379 125.622 -108.814 57.3104 -92.1936 184.631 PRESSAVG: 110800 -41.8465 -33.6357 23.4099 -33.6357 32.4356 -18.7802 23.4099 -18.7803 -33.9691 GPRESSAVG: 110800 -41.7752 -33.4279 22.6044 -32.7665 33.7751 -18.4758 23.95 -18.03 -34.9683 TIMING: 110800 CPU: 330.608, 0.0029924/step Wall: 330.608, 0.0029924/step, 4.06401 hours remaining, 203.777344 MB of memory in use. ENERGY: 110800 730.2509 2110.5972 1950.1488 96.9153 -206020.0750 17795.7788 0.0000 0.0000 34634.4782 -148701.9058 302.4715 -183336.3840 -148601.6075 300.0393 -19.3003 16.0374 558272.8463 -14.4600 -14.3228 PRESSURE: 111000 -101.791 -50.7379 -82.2271 -50.7375 121.37 -48.4602 -82.2262 -48.4603 94.364 GPRESSURE: 111000 -116.487 -10.8898 -2.56936 2.98914 190.088 -46.7296 -134.358 -51.1342 138.104 PRESSAVG: 111000 10.4106 -40.084 9.55444 -40.0841 15.3086 -20.3734 9.55456 -20.3733 -15.5325 GPRESSAVG: 111000 11.0333 -41.2202 13.0302 -38.4315 14.6114 -21.2605 8.2643 -21.5296 -15.084 TIMING: 111000 CPU: 331.204, 0.00298029/step Wall: 331.204, 0.00298029/step, 4.04741 hours remaining, 203.777344 MB of memory in use. ENERGY: 111000 731.3110 2169.7253 1940.3587 117.5437 -205818.7662 17797.8170 0.0000 0.0000 34391.6106 -148670.3999 300.3505 -183062.0104 -148573.4787 300.5375 37.9808 70.5685 558362.3265 3.3955 3.5202 PRESSURE: 111200 49.8468 -84.0119 135.372 -84.013 -73.4836 18.6827 135.371 18.6823 49.1959 GPRESSURE: 111200 73.2539 -72.8881 94.6388 -124.597 24.7956 21.6477 131.682 16.5138 32.3317 PRESSAVG: 111200 0.543789 -74.8855 23.7227 -74.8855 -36.879 -45.5897 23.7226 -45.5898 -12.4134 GPRESSAVG: 111200 -0.64009 -73.6606 20.3659 -77.0002 -36.0772 -44.8001 24.5565 -44.396 -11.6299 TIMING: 111200 CPU: 331.806, 0.00301342/step Wall: 331.806, 0.00301342/step, 4.09223 hours remaining, 203.777344 MB of memory in use. ENERGY: 111200 720.8790 2132.4083 1937.3714 119.1326 -205694.9849 17659.0913 0.0000 0.0000 34297.1320 -148828.9703 299.5254 -183126.1023 -148735.4336 301.1945 8.5197 43.4604 558495.7836 -16.2495 -16.1157 PRESSURE: 111400 170.869 -4.76827 -21.0544 -4.76971 65.6117 -71.1097 -21.0536 -71.1106 -135.063 GPRESSURE: 111400 145.453 19.8601 87.8655 49.9615 117.325 -33.5898 -104.737 -35.2813 -62.9843 PRESSAVG: 111400 28.0037 15.5198 31.9144 15.5198 -20.3803 18.3513 31.9145 18.3513 6.77 GPRESSAVG: 111400 28.8506 14.844 32.5496 15.3397 -22.1123 18.1734 33.1762 18.4642 7.48011 TIMING: 111400 CPU: 332.406, 0.0030003/step Wall: 332.406, 0.0030003/step, 4.07424 hours remaining, 203.777344 MB of memory in use. ENERGY: 111400 749.9818 2071.8846 1949.8473 100.2318 -205946.8795 17829.7618 0.0000 0.0000 34366.9696 -148878.2026 300.1353 -183245.1722 -148783.8081 300.2587 33.8060 66.5979 557131.9221 4.7978 4.7395 PRESSURE: 111600 -60.5862 -110.978 77.2272 -110.978 1.81334 -27.1981 77.2275 -27.1974 -62.8736 GPRESSURE: 111600 12.3826 -127.384 107.569 -147.098 18.1268 -115.562 105.086 -39.2792 -58.8597 PRESSAVG: 111600 0.0196693 -73.3677 -7.44334 -73.3676 81.8439 -6.22916 -7.44334 -6.22908 -55.4137 GPRESSAVG: 111600 -1.72691 -75.6743 -5.62451 -71.5709 82.7511 -8.45545 -9.0275 -4.81164 -54.4488 TIMING: 111600 CPU: 333.004, 0.00299033/step Wall: 333.004, 0.00299033/step, 4.06053 hours remaining, 203.777344 MB of memory in use. ENERGY: 111600 752.8403 2112.0349 1960.9770 117.7142 -206214.9780 17793.5276 0.0000 0.0000 34574.7048 -148903.1790 301.9495 -183477.8839 -148811.8606 300.4781 -40.5488 -9.4501 557365.9881 8.8166 8.8585 PRESSURE: 111800 -356.863 199.841 -176.603 199.842 -108.184 32.045 -176.602 32.0461 -261.822 GPRESSURE: 111800 -267.454 143.122 -86.9513 254.217 -118.674 106.167 -218.179 51.8462 -248.845 PRESSAVG: 111800 44.7739 3.68227 43.8115 3.68237 -69.1101 0.0122145 43.8113 0.0122029 3.30878 GPRESSAVG: 111800 45.3352 7.42122 42.0679 0.872842 -69.1321 3.09046 43.984 -2.45764 2.51497 TIMING: 111800 CPU: 333.602, 0.00298841/step Wall: 333.602, 0.00298841/step, 4.05776 hours remaining, 203.777344 MB of memory in use. ENERGY: 111800 794.4747 2101.2388 1965.8218 115.2803 -205866.3982 17604.5465 0.0000 0.0000 34396.6550 -148888.3812 300.3945 -183285.0362 -148793.3044 300.7959 -242.2899 -211.6577 559771.5441 -7.0091 -7.0940 PRESSURE: 112000 -105.699 -77.6611 143.998 -77.66 -254.18 -131.412 143.997 -131.412 85.2961 GPRESSURE: 112000 -48.8676 -85.8702 139.763 -82.1703 -245.97 -140.285 153.035 -66.3358 103.813 PRESSAVG: 112000 5.24847 7.18162 -44.2842 7.18162 1.17225 44.3195 -44.2841 44.3196 15.3091 GPRESSAVG: 112000 5.78152 4.53119 -43.8632 9.18175 -0.670188 43.139 -43.6562 43.965 16.7923 TIMING: 112000 CPU: 334.198, 0.00298068/step Wall: 334.198, 0.00298068/step, 4.0471 hours remaining, 203.777344 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: 112000 744.3255 2061.3640 1957.4598 118.4251 -206005.1623 17826.3642 0.0000 0.0000 34272.8137 -149024.4101 299.3130 -183297.2238 -148927.2952 299.9859 -91.5275 -63.6748 560091.9332 7.2433 7.3012 PRESSURE: 112200 244.597 103.34 -69.6087 103.341 -190.877 20.8576 -69.6087 20.8585 4.40421 GPRESSURE: 112200 231.954 118.63 -70.1845 70.509 -119.965 -52.4281 -9.52137 57.06 48.1393 PRESSAVG: 112200 40.4729 -28.8562 4.02229 -28.8562 -9.25797 -4.13239 4.02229 -4.13247 -24.8939 GPRESSAVG: 112200 40.0555 -29.1572 4.68113 -27.6542 -6.89116 -4.60616 3.84191 -2.73574 -26.8334 TIMING: 112200 CPU: 334.8, 0.00300793/step Wall: 334.8, 0.00300793/step, 4.08393 hours remaining, 203.777344 MB of memory in use. ENERGY: 112200 728.3610 2098.0892 1988.1901 108.6101 -206048.2178 17751.7068 0.0000 0.0000 34337.9075 -149035.3531 299.8815 -183373.2606 -148931.2982 299.9246 19.3748 53.3759 559022.9016 2.1070 2.1103 LDB: ============= START OF LOAD BALANCING ============== 338.317 LDB: ============== END OF LOAD BALANCING =============== 338.317 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 338.319 LDB: ============= START OF LOAD BALANCING ============== 338.619 LDB: Largest compute 4773 load 0.031474 is 26.7% of average load 0.117863 LDB: Average compute 0.001736 is 1.5% of average load 0.117863 LDB: TIME 338.622 LOAD: AVG 0.117863 MAX 0.209256 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.477 MB LDB: TIME 338.622 LOAD: AVG 0.117863 MAX 0.209256 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.68 MB LDB: TIME 338.622 LOAD: AVG 0.117863 MAX 0.209256 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.68 MB LDB: ============== END OF LOAD BALANCING =============== 338.624 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 338.628 PRESSURE: 112400 158.818 34.0468 55.2786 34.0471 -79.0778 -103.231 55.2789 -103.231 341.197 GPRESSURE: 112400 155.848 15.636 44.9794 85.8963 6.26854 -110.356 22.2065 -75.3058 369.145 PRESSAVG: 112400 34.2504 -50.593 -15.861 -50.5929 20.7347 -6.13426 -15.861 -6.13435 -10.4134 GPRESSAVG: 112400 34.9341 -50.8638 -17.1745 -52.3017 20.0073 -8.28723 -15.6413 -5.82819 -9.80766 TIMING: 112400 CPU: 335.411, 0.00305718/step Wall: 335.411, 0.00305718/step, 4.15062 hours remaining, 203.816406 MB of memory in use. ENERGY: 112400 751.4327 2090.6639 1945.2736 108.3508 -206436.8189 17974.1071 0.0000 0.0000 34608.7847 -148958.2062 302.2471 -183566.9909 -148860.9293 300.0648 140.3123 177.0873 556564.8304 14.8573 15.0446 PRESSURE: 112600 -63.4078 -116.281 194.71 -116.28 112.953 -42.2858 194.711 -42.2847 -316.614 GPRESSURE: 112600 -44.2802 -180.394 204.414 -74.6482 99.7787 -42.1061 167.833 -113.375 -227.288 PRESSAVG: 112600 39.1151 4.54196 -28.2677 4.5421 -12.3882 -29.1467 -28.2676 -29.1467 -43.6218 GPRESSAVG: 112600 39.422 6.4747 -27.9379 3.75723 -13.6289 -24.5277 -28.9744 -30.9998 -43.1846 TIMING: 112600 CPU: 336.018, 0.00303219/step Wall: 336.018, 0.00303219/step, 4.11654 hours remaining, 204.019531 MB of memory in use. ENERGY: 112600 760.4843 2155.5929 1979.0211 94.6382 -205571.4484 17466.5490 0.0000 0.0000 34301.6264 -148813.5364 299.5646 -183115.1628 -148716.5030 299.7544 -89.0231 -57.2633 557142.2154 -5.6316 -5.7972 PRESSURE: 112800 67.8459 -30.018 -7.33288 -30.0186 211.878 44.7214 -7.33235 44.7216 229.502 GPRESSURE: 112800 68.1428 -67.7821 -47.8262 0.263485 202.325 105.158 -129.386 44.2322 334.497 PRESSAVG: 112800 -28.2454 52.7001 37.9898 52.7001 -15.9715 -17.9156 37.9897 -17.9156 17.5593 GPRESSAVG: 112800 -28.1689 52.7846 35.0255 52.1399 -14.5987 -19.8365 39.7034 -16.3565 16.5588 TIMING: 112800 CPU: 336.619, 0.00300822/step Wall: 336.619, 0.00300822/step, 4.08383 hours remaining, 204.019531 MB of memory in use. ENERGY: 112800 737.0770 2140.1042 1966.7414 111.7599 -206464.0301 18063.2435 0.0000 0.0000 34527.1612 -148917.9429 301.5343 -183445.1041 -148826.7346 299.9795 169.7419 201.6548 555019.4378 -8.8859 -8.7363 PRESSURE: 113000 -79.8792 114.943 -84.778 114.943 37.2505 -125.215 -84.779 -125.216 -392.086 GPRESSURE: 113000 -19.6504 67.0943 -69.381 99.1538 77.3633 -110.557 -10.7455 -118.983 -385.141 PRESSAVG: 113000 -4.99292 -0.144671 -32.3775 -0.144672 11.7384 -44.9255 -32.3776 -44.9256 -1.83028 GPRESSAVG: 113000 -4.96994 -1.18101 -30.8601 3.21798 11.1307 -43.158 -34.5614 -44.7916 -0.739729 TIMING: 113000 CPU: 337.213, 0.00296965/step Wall: 337.213, 0.00296965/step, 4.0313 hours remaining, 204.019531 MB of memory in use. ENERGY: 113000 700.1162 2032.7818 1964.1734 110.6682 -205645.1522 17606.9521 0.0000 0.0000 34345.3340 -148885.1263 299.9463 -183230.4604 -148788.2641 300.1551 -144.9049 -109.1428 558097.4986 1.6384 1.8070 PRESSURE: 113200 -307.642 -136.405 -24.9684 -136.405 -179.061 9.53409 -24.9691 9.53236 -228.73 GPRESSURE: 113200 -270.698 -150.656 31.4574 -125.312 -156.181 57.3482 33.2713 -115.934 -187.862 PRESSAVG: 113200 23.2906 15.0494 -33.6028 15.0495 1.49808 -18.4158 -33.6028 -18.4158 7.6429 GPRESSAVG: 113200 24.3182 14.3279 -34.8591 15.676 2.29063 -18.3294 -31.1092 -19.2023 6.26824 TIMING: 113200 CPU: 337.809, 0.00297921/step Wall: 337.809, 0.00297921/step, 4.04411 hours remaining, 204.019531 MB of memory in use. ENERGY: 113200 754.5274 2053.8329 1970.0803 118.6737 -205393.1252 17377.9360 0.0000 0.0000 34333.0977 -148784.9772 299.8395 -183118.0750 -148692.0369 299.5393 -238.4775 -204.9137 560036.7271 10.8105 10.9590 PRESSURE: 113400 -318.766 -113.589 -16.9083 -113.589 -299.936 -77.369 -16.9077 -77.368 160.684 GPRESSURE: 113400 -254.956 -135.551 -62.2129 -120.832 -220.764 29.9459 -60.7417 -164.954 108.593 PRESSAVG: 113400 6.83764 29.8732 -8.46535 29.8733 -25.4845 -45.3202 -8.46549 -45.3203 -2.34743 GPRESSAVG: 113400 6.30291 28.8703 -6.76345 29.2662 -25.2132 -47.4218 -8.71615 -45.4813 -1.90178 TIMING: 113400 CPU: 338.404, 0.00297373/step Wall: 338.404, 0.00297373/step, 4.0365 hours remaining, 204.019531 MB of memory in use. ENERGY: 113400 737.0692 2080.6156 1955.9770 114.3991 -205925.3654 17683.2267 0.0000 0.0000 34499.3489 -148854.7289 301.2914 -183354.0778 -148751.5155 299.9571 -152.6728 -122.3756 558125.5112 -6.9981 -6.9373 PRESSURE: 113600 49.3965 -116.949 -76.5585 -116.95 -101.523 -173.957 -76.5574 -173.958 -182.984 GPRESSURE: 113600 20.565 -48.031 -37.9234 -82.5634 -12.3477 -131.286 -105.628 -162.679 -139.864 PRESSAVG: 113600 -39.4393 12.5287 20.9224 12.5288 4.79636 -23.9916 20.9224 -23.9917 53.8489 GPRESSAVG: 113600 -39.724 13.6869 21.5684 11.4121 5.30944 -23.047 19.8288 -23.8645 53.4274 TIMING: 113600 CPU: 339, 0.00298254/step Wall: 339, 0.00298254/step, 4.0483 hours remaining, 204.019531 MB of memory in use. ENERGY: 113600 729.7468 2090.3100 1914.2258 108.0493 -205985.8138 17716.7252 0.0000 0.0000 34395.7794 -149030.9774 300.3869 -183426.7568 -148932.0491 300.1025 -78.3704 -43.8823 557984.2897 6.4020 6.3376 PRESSURE: 113800 47.4748 183.331 149.378 183.332 158.888 -105.946 149.379 -105.946 32.7072 GPRESSURE: 113800 102.478 202.759 108.444 167.977 150.785 -200.335 144.806 -116.193 77.3904 PRESSAVG: 113800 6.39314 -10.845 8.11322 -10.845 33.1518 -74.7839 8.11319 -74.7839 34.3589 GPRESSAVG: 113800 6.50014 -7.8194 7.07518 -13.1057 32.5128 -74.7861 8.15088 -74.6304 35.1594 TIMING: 113800 CPU: 339.6, 0.00299637/step Wall: 339.6, 0.00299637/step, 4.0669 hours remaining, 204.019531 MB of memory in use. ENERGY: 113800 769.4226 2082.6029 1939.9787 104.5918 -206317.7369 18028.6839 0.0000 0.0000 34218.4639 -149173.9930 298.8384 -183392.4569 -149074.5918 299.7410 79.6902 110.2176 557804.2840 24.6346 24.7241 PRESSURE: 114000 20.9476 -37.4287 68.096 -37.4278 -206.418 29.8095 68.0964 29.8115 -124.315 GPRESSURE: 114000 49.8379 -0.800975 101.313 -36.605 -181.413 34.244 99.6615 65.5095 -87.6396 PRESSAVG: 114000 -4.8522 -6.65525 20.1284 -6.65538 -19.3095 3.153 20.1284 3.15313 26.8776 GPRESSAVG: 114000 -4.56105 -8.29689 20.571 -4.11833 -20.0444 3.55744 20.4591 1.68913 27.7819 TIMING: 114000 CPU: 340.198, 0.00299153/step Wall: 340.198, 0.00299153/step, 4.06017 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: 114000 746.5632 2053.0989 1947.4359 112.2827 -206113.8107 17665.7900 0.0000 0.0000 34578.9322 -149009.7078 301.9864 -183588.6400 -148910.0873 299.4812 -103.2620 -73.0716 556739.4474 0.9053 1.0588 PRESSURE: 114200 156.335 -111.659 5.06626 -111.659 2.12782 60.2714 5.06625 60.2717 -64.6907 GPRESSURE: 114200 188.026 -67.0275 -12.7758 -118.355 26.8969 31.0342 -8.34363 154.313 -22.6409 PRESSAVG: 114200 28.1886 6.34223 28.2151 6.34211 13.7492 18.123 28.2152 18.1231 -85.9474 GPRESSAVG: 114200 28.2126 6.87905 28.9383 5.2111 14.0903 17.357 29.7582 19.0063 -86.1438 TIMING: 114200 CPU: 340.798, 0.00300163/step Wall: 340.798, 0.00300163/step, 4.07371 hours remaining, 204.417969 MB of memory in use. ENERGY: 114200 755.5532 2121.7893 1976.5736 122.2646 -206313.3301 18003.6040 0.0000 0.0000 34384.8275 -148948.7180 300.2913 -183333.5455 -148850.0474 300.3846 31.2573 64.0939 557663.2200 -14.6699 -14.6136 PRESSURE: 114400 -42.054 -77.2806 59.6851 -77.2816 -95.1405 -25.3907 59.6856 -25.3892 -143.564 GPRESSURE: 114400 -20.8697 -86.9995 86.0913 -41.6823 -15.4845 -16.234 -35.1665 -62.0771 -145.597 PRESSAVG: 114400 -19.3168 53.8352 0.792802 53.8353 54.62 -31.7848 0.792817 -31.7849 -41.5352 GPRESSAVG: 114400 -18.8531 49.9874 -0.0871309 55.9807 54.7399 -33.5674 -1.21034 -30.2133 -42.6069 TIMING: 114400 CPU: 341.395, 0.00298298/step Wall: 341.395, 0.00298298/step, 4.04824 hours remaining, 204.417969 MB of memory in use. ENERGY: 114400 721.0489 2150.8424 1933.0978 127.2103 -206171.8466 17765.7903 0.0000 0.0000 34396.0041 -149077.8527 300.3889 -183473.8569 -148986.7029 300.2983 -93.5863 -60.6504 556885.0221 -2.0773 -2.2400 PRESSURE: 114600 9.76163 52.7304 -15.1678 52.73 -166.887 -129.968 -15.1678 -129.967 -375.723 GPRESSURE: 114600 71.9142 111.256 -16.0363 48.6859 -196.779 -94.616 49.2295 -96.2201 -311.713 PRESSAVG: 114600 20.2322 44.7638 37.5942 44.7638 -4.53225 -76.347 37.5941 -76.347 6.54496 GPRESSAVG: 114600 21.4837 46.7128 37.1747 43.0025 -5.78431 -74.6259 39.7936 -77.0539 6.67109 TIMING: 114600 CPU: 341.993, 0.00299103/step Wall: 341.993, 0.00299103/step, 4.05899 hours remaining, 204.417969 MB of memory in use. ENERGY: 114600 735.2933 2093.1531 1955.9441 120.5091 -206134.5380 17484.5775 0.0000 0.0000 34522.2137 -149222.8470 301.4911 -183745.0608 -149126.8427 299.9442 -177.6161 -145.5260 556235.6329 7.4150 7.4568 PRESSURE: 114800 178.506 34.1892 -77.3002 34.1891 -9.55021 31.2591 -77.301 31.2582 -28.7355 GPRESSURE: 114800 190.126 9.16883 -16.7312 16.3234 17.7743 16.9553 -63.5398 26.6007 24.7229 PRESSAVG: 114800 59.4757 -15.4081 -14.3851 -15.408 -48.567 -17.1601 -14.385 -17.16 -50.6225 GPRESSAVG: 114800 57.2016 -16.9087 -12.6465 -13.1552 -47.5691 -15.4416 -16.0299 -18.6117 -49.9992 TIMING: 114800 CPU: 342.593, 0.00300178/step Wall: 342.593, 0.00300178/step, 4.07342 hours remaining, 204.417969 MB of memory in use. ENERGY: 114800 748.6196 2115.3042 1929.1156 108.5050 -206182.7055 17822.4053 0.0000 0.0000 34126.7001 -149332.0557 298.0370 -183458.7558 -149236.7839 298.8486 46.7401 77.5412 556272.6690 -13.2380 -13.4556 PRESSURE: 115000 -61.0456 50.9785 59.1008 50.9792 131.544 -38.9992 59.1003 -38.9981 128.112 GPRESSURE: 115000 -15.0719 131.323 65.1808 107.836 117.307 -32.5663 81.246 75.9172 197.951 PRESSAVG: 115000 -11.1511 50.6174 16.8102 50.6175 27.6893 -9.20933 16.8101 -9.20927 9.02001 GPRESSAVG: 115000 -10.7017 52.9815 17.376 49.3863 27.7216 -9.58914 15.4595 -9.11436 8.94143 TIMING: 115000 CPU: 343.192, 0.00299413/step Wall: 343.192, 0.00299413/step, 4.06287 hours remaining, 204.417969 MB of memory in use. ENERGY: 115000 745.3234 2071.5297 1943.6316 119.5564 -206171.3673 17776.4253 0.0000 0.0000 34205.2175 -149309.6835 298.7227 -183514.9011 -149209.7947 299.2780 66.2035 100.0619 555215.0717 8.5194 8.6538 PRESSURE: 115200 -199.229 36.8856 -114.493 36.8854 -21.1949 105.555 -114.493 105.556 -83.2483 GPRESSURE: 115200 -194.409 -20.0939 -85.6443 66.3808 34.1908 70.6197 -167.007 173.41 -41.2506 PRESSAVG: 115200 -41.0995 48.3157 -17.1496 48.3157 13.5811 -26.3026 -17.1497 -26.3025 28.6764 GPRESSAVG: 115200 -40.8368 48.6179 -18.0767 48.4329 13.0911 -28.7102 -15.9993 -25.9108 29.1235 TIMING: 115200 CPU: 343.795, 0.00301625/step Wall: 343.795, 0.00301625/step, 4.09271 hours remaining, 204.417969 MB of memory in use. ENERGY: 115200 779.8277 2083.2465 1944.2626 108.5595 -206306.3860 17800.6447 0.0000 0.0000 34182.3053 -149407.5397 298.5226 -183589.8450 -149306.7989 298.7893 -101.2241 -67.1562 557083.4473 0.3860 0.4593 PRESSURE: 115400 -80.4418 -42.632 -25.1121 -42.6325 -224.235 -9.11972 -25.1119 -9.11834 -97.8967 GPRESSURE: 115400 -91.162 -71.0971 -67.7057 5.45599 -193.551 20.9371 -36.5729 -19.8472 -19.709 PRESSAVG: 115400 -52.0349 71.9525 -32.3849 71.9525 -3.59562 -34.6036 -32.3849 -34.6036 36.0964 GPRESSAVG: 115400 -51.9571 70.2124 -32.5197 70.6865 -3.6992 -34.5797 -32.1189 -36.3726 36.0248 TIMING: 115400 CPU: 344.393, 0.00298553/step Wall: 344.393, 0.00298553/step, 4.05087 hours remaining, 204.417969 MB of memory in use. ENERGY: 115400 765.1011 2076.8657 1934.8090 106.9491 -206351.7438 17523.6616 0.0000 0.0000 34384.9260 -149559.4313 300.2921 -183944.3572 -149457.8741 298.5133 -134.1911 -101.4741 555315.4706 -6.5114 -6.5439 PRESSURE: 115600 -45.0869 -2.77393 76.4125 -2.77357 125.576 -91.6576 76.4129 -91.6563 175.652 GPRESSURE: 115600 25.3076 11.4913 -5.4635 -92.036 129.513 -155.719 129.402 -141.516 192.282 PRESSAVG: 115600 21.4242 3.98582 -24.7243 3.98582 17.4581 6.27182 -24.7242 6.27185 -32.1932 GPRESSAVG: 115600 21.4017 4.8041 -25.9659 3.51557 17.0524 7.10402 -25.6114 6.98795 -31.4687 TIMING: 115600 CPU: 344.984, 0.00295521/step Wall: 344.984, 0.00295521/step, 4.00957 hours remaining, 204.417969 MB of memory in use. ENERGY: 115600 703.2535 2092.0569 1943.4572 119.5142 -207010.5018 18164.7529 0.0000 0.0000 34505.5614 -149481.9057 301.3456 -183987.4671 -149389.4097 298.3813 85.3805 115.7007 556713.2869 2.2297 2.3285 PRESSURE: 115800 192.665 -132.913 -65.339 -132.913 82.1225 -34.9083 -65.3373 -34.9089 -62.4697 GPRESSURE: 115800 206.807 -129.167 17.3512 -170.081 139.652 -95.2752 -9.05125 32.8922 -40.5448 PRESSAVG: 115800 -39.3988 51.6199 -10.3792 51.62 33.4919 21.9566 -10.3792 21.9566 30.9345 GPRESSAVG: 115800 -40.4948 51.341 -8.30048 53.7372 35.0511 20.7316 -11.5506 21.0931 30.5359 TIMING: 115800 CPU: 345.58, 0.00298087/step Wall: 345.58, 0.00298087/step, 4.04421 hours remaining, 204.417969 MB of memory in use. ENERGY: 115800 732.0508 2096.3030 1970.1358 105.6329 -206519.9696 17947.6550 0.0000 0.0000 34228.9372 -149439.2549 298.9298 -183668.1921 -149336.1354 299.0543 70.7725 101.9716 557096.4615 8.3425 8.3641 PRESSURE: 116000 -357.818 82.3189 -160.415 82.3189 -191.544 32.2638 -160.414 32.2638 -243.276 GPRESSURE: 116000 -305.12 64.4557 -242.843 39.6464 -209.73 25.9363 -141.365 79.472 -175.192 PRESSAVG: 116000 -38.2097 58.3991 -39.3329 58.3992 12.4669 35.4459 -39.3329 35.4459 16.6482 GPRESSAVG: 116000 -37.7574 56.7252 -40.5283 57.436 12.1877 37.9028 -37.503 37.066 16.9749 TIMING: 116000 CPU: 346.173, 0.00296778/step Wall: 346.173, 0.00296778/step, 4.02628 hours remaining, 204.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 116000 717.5513 2064.5711 1921.7640 110.4164 -205917.9020 17416.4348 0.0000 0.0000 34276.6326 -149410.5319 299.3464 -183687.1645 -149317.5191 298.5264 -264.2126 -230.0140 558413.5188 -3.0315 -2.8649 PRESSURE: 116200 -57.3985 59.9425 73.1327 59.9434 113.477 77.5748 73.1322 77.5764 -170.098 GPRESSURE: 116200 0.491402 99.6674 42.9804 22.6154 130.75 123.313 50.9975 57.8992 -160.093 PRESSAVG: 116200 14.5819 -25.6773 -46.4725 -25.6773 0.915316 48.3963 -46.4724 48.3963 21.1164 GPRESSAVG: 116200 15.5985 -23.6905 -44.6305 -25.5907 0.935987 48.1309 -47.5791 47.725 19.7879 TIMING: 116200 CPU: 346.768, 0.00297547/step Wall: 346.768, 0.00297547/step, 4.03656 hours remaining, 204.417969 MB of memory in use. ENERGY: 116200 759.0407 1976.0119 1934.2224 109.0650 -206398.8086 17900.3049 0.0000 0.0000 34343.7311 -149376.4326 299.9323 -183720.1637 -149276.1671 299.3622 -38.0065 -9.6171 556638.3642 12.2045 12.1074 LDB: ============= START OF LOAD BALANCING ============== 350.286 LDB: ============== END OF LOAD BALANCING =============== 350.286 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 350.288 LDB: ============= START OF LOAD BALANCING ============== 350.589 LDB: Largest compute 4773 load 0.030303 is 25.7% of average load 0.117738 LDB: Average compute 0.001739 is 1.5% of average load 0.117738 LDB: TIME 350.592 LOAD: AVG 0.117738 MAX 0.208065 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.73 MB LDB: TIME 350.592 LOAD: AVG 0.117738 MAX 0.208065 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.934 MB LDB: TIME 350.592 LOAD: AVG 0.117738 MAX 0.208065 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.934 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 350.594 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 350.598 PRESSURE: 116400 -28.3309 26.8453 4.48755 26.8453 86.1056 177.791 4.48681 177.79 -88.7039 GPRESSURE: 116400 -17.5537 18.2584 -1.11723 13.0021 101.906 173.12 -12.9289 139.461 -24.9018 PRESSAVG: 116400 -78.85 51.334 -13.6437 51.3342 70.3818 4.65686 -13.6438 4.65689 -31.7006 GPRESSAVG: 116400 -77.8586 49.6297 -12.5317 52.5494 69.4866 4.38493 -14.4014 4.80346 -31.3699 TIMING: 116400 CPU: 347.381, 0.00306386/step Wall: 347.381, 0.00306386/step, 4.1563 hours remaining, 205.480469 MB of memory in use. ENERGY: 116400 773.2777 2052.7994 1935.8381 130.7423 -206693.4393 17996.5445 0.0000 0.0000 34287.3964 -149516.8408 299.4404 -183804.2373 -149423.4897 298.6695 -10.3097 19.8168 556491.0695 -13.3896 -13.2473 PRESSURE: 116600 -218.949 -47.9133 16.1662 -47.9124 -226.771 -8.67214 16.166 -8.67195 -328.832 GPRESSURE: 116600 -138.444 -18.0518 3.61874 -97.523 -231.377 61.4727 34.8842 -71.1102 -309.178 PRESSAVG: 116600 -20.6422 0.460945 16.1996 0.46097 63.2403 -14.6725 16.1996 -14.6725 -8.89031 GPRESSAVG: 116600 -21.2948 2.04502 14.6487 -1.76249 64.0133 -13.5135 17.6782 -13.9094 -8.58284 TIMING: 116600 CPU: 347.981, 0.00299781/step Wall: 347.981, 0.00299781/step, 4.06653 hours remaining, 205.769531 MB of memory in use. ENERGY: 116600 738.6601 2024.1853 1964.7513 103.9469 -205869.2009 17299.7683 0.0000 0.0000 34239.2671 -149498.6219 299.0200 -183737.8890 -149396.0896 298.2089 -258.1841 -226.3331 556774.8406 11.2360 11.3786 PRESSURE: 116800 162.795 98.2949 -14.2118 98.2947 185.303 -103.371 -14.21 -103.371 311.184 GPRESSURE: 116800 161.885 82.0908 -40.4244 80.03 264.618 -81.3719 27.3801 -72.8433 328.745 PRESSAVG: 116800 15.0058 15.2463 7.71863 15.2463 -33.2098 -45.1347 7.71867 -45.1347 6.2223 GPRESSAVG: 116800 14.1241 16.5522 5.87721 15.3297 -33.7713 -45.0273 8.84952 -47.1467 7.5304 TIMING: 116800 CPU: 348.581, 0.00300279/step Wall: 348.581, 0.00300279/step, 4.07312 hours remaining, 205.769531 MB of memory in use. ENERGY: 116800 742.3768 2082.8019 1945.4059 103.1011 -206808.7847 18100.2832 0.0000 0.0000 34260.3943 -149574.4215 299.2045 -183834.8158 -149479.7346 298.6428 219.7607 251.7493 555201.1722 -3.9939 -4.0389 PRESSURE: 117000 25.3311 116.905 -98.0012 116.904 88.3235 188.817 -98.0012 188.817 -210.185 GPRESSURE: 117000 16.6601 103.237 -109.183 139.971 66.8164 188.422 -10.4075 141.307 -95.5124 PRESSAVG: 117000 -31.268 33.0277 2.85899 33.0277 69.6428 -28.5473 2.85895 -28.5474 5.00995 GPRESSAVG: 117000 -30.4905 29.0834 3.33348 36.0621 69.972 -28.8062 3.09686 -28.1167 4.46352 TIMING: 117000 CPU: 349.184, 0.00301286/step Wall: 349.184, 0.00301286/step, 4.08661 hours remaining, 205.769531 MB of memory in use. ENERGY: 117000 774.2936 2084.7630 1955.5681 113.5932 -206538.6561 17716.9658 0.0000 0.0000 34334.7834 -149558.6889 299.8542 -183893.4723 -149463.3854 298.6679 -32.1766 -4.0120 556131.5933 14.4616 14.6484 PRESSURE: 117200 32.3212 -35.1555 74.0212 -35.1569 -203.764 88.4978 74.0218 88.4982 -48.5613 GPRESSURE: 117200 25.165 -3.90517 38.1952 -50.6293 -149.829 93.3165 133.843 -13.0654 -4.77685 PRESSAVG: 117200 25.945 49.1162 49.3746 49.1161 -3.22205 23.0548 49.3747 23.0549 -58.3671 GPRESSAVG: 117200 25.9221 49.3012 50.8504 47.0264 -2.58828 23.3439 48.5214 23.5349 -59.4621 TIMING: 117200 CPU: 349.777, 0.00296472/step Wall: 349.777, 0.00296472/step, 4.02114 hours remaining, 205.769531 MB of memory in use. ENERGY: 117200 740.4365 2072.1983 1946.3766 103.5833 -206520.7866 17821.8655 0.0000 0.0000 34178.1501 -149658.1765 298.4863 -183836.3265 -149565.9148 298.2955 -73.3345 -43.1468 556012.9954 -11.8814 -12.0428 PRESSURE: 117400 -238.374 124.586 5.24375 124.587 65.0929 91.4083 5.24316 91.4085 -226.72 GPRESSURE: 117400 -220.734 142.802 55.8185 137.206 87.7501 146.931 -43.045 -2.57304 -172.81 PRESSAVG: 117400 32.9706 -0.571113 35.5785 -0.571138 12.5411 -9.16044 35.5786 -9.16041 33.6486 GPRESSAVG: 117400 33.1135 -0.0686269 35.2914 0.104454 12.4463 -7.50128 34.3755 -10.5867 34.0638 TIMING: 117400 CPU: 350.372, 0.00297549/step Wall: 350.372, 0.00297549/step, 4.03559 hours remaining, 205.769531 MB of memory in use. ENERGY: 117400 724.3782 2047.5731 1923.5667 121.8756 -205917.5685 17593.4780 0.0000 0.0000 33998.6322 -149508.0646 296.9185 -183506.6968 -149414.1493 297.9551 -133.3339 -101.9313 557719.9965 26.3868 26.5412 PRESSURE: 117600 -178.425 146.781 71.0461 146.782 -159.995 -147.441 71.0454 -147.441 -8.13419 GPRESSURE: 117600 -154.582 83.2751 105.867 212.892 -100.447 -159.692 67.6062 -156.405 8.63414 PRESSAVG: 117600 55.3816 34.2103 -3.4208 34.2103 -12.1675 -2.97281 -3.42069 -2.97286 -42.5913 GPRESSAVG: 117600 56.3244 36.6113 -4.36095 33.67 -11.396 -4.30528 -1.37417 -1.59789 -43.8591 TIMING: 117600 CPU: 350.965, 0.00296435/step Wall: 350.965, 0.00296435/step, 4.02032 hours remaining, 205.769531 MB of memory in use. ENERGY: 117600 788.3085 2110.3846 1951.4953 109.5368 -206344.6406 17767.9515 0.0000 0.0000 34204.1019 -149412.8619 298.7129 -183616.9639 -149314.6459 298.5323 -115.5181 -82.1316 557595.6503 0.2076 0.3565 PRESSURE: 117800 -106.458 29.4512 -105.671 29.4503 -137.698 1.14117 -105.672 1.14025 -292.041 GPRESSURE: 117800 -100.04 63.2532 -13.8489 -39.3106 -147.662 43.3324 -98.6406 -33.974 -204.342 PRESSAVG: 117800 -0.310785 31.1004 -38.5499 31.1004 21.0422 27.8033 -38.5498 27.8032 19.6764 GPRESSAVG: 117800 -1.65534 30.7775 -38.4081 31.2929 20.3081 27.9561 -40.0634 27.6206 21.9879 TIMING: 117800 CPU: 351.559, 0.00296984/step Wall: 351.559, 0.00296984/step, 4.0276 hours remaining, 205.769531 MB of memory in use. ENERGY: 117800 741.2705 2081.4232 1957.0881 120.6008 -206081.3252 17590.5504 0.0000 0.0000 34165.2835 -149425.1087 298.3739 -183590.3921 -149332.6876 299.1366 -178.7324 -150.6816 559022.8695 13.4693 13.5469 PRESSURE: 118000 143.428 -139.828 -48.2851 -139.829 98.0769 -109.368 -48.2846 -109.369 28.6446 GPRESSURE: 118000 173.912 -218.841 -29.1099 -105.185 175.208 -78.283 -142.216 -113.058 21.5157 PRESSAVG: 118000 53.5175 -1.08071 -20.0865 -1.08052 -23.736 16.1636 -20.0865 16.1636 -17.5469 GPRESSAVG: 118000 55.4215 -2.24588 -20.1695 -0.938238 -24.5702 16.0378 -18.1878 14.9058 -18.2737 TIMING: 118000 CPU: 352.15, 0.00295395/step Wall: 352.15, 0.00295395/step, 4.00588 hours remaining, 205.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 118000 752.9770 2061.0569 1930.0290 109.7447 -206266.4651 17875.7471 0.0000 0.0000 34232.4530 -149304.4574 298.9605 -183536.9104 -149203.9157 298.8547 90.0499 123.5453 557480.8157 4.0782 4.1925 PRESSURE: 118200 -175.491 -6.93816 67.7958 -6.93938 -161.557 -41.4016 67.7969 -41.4017 -219.771 GPRESSURE: 118200 -187.549 11.9222 54.3931 -46.5053 -111.443 -43.1348 114.54 -67.6218 -158.888 PRESSAVG: 118200 38.3986 0.915242 73.302 0.915197 5.12715 11.796 73.302 11.796 -73.5942 GPRESSAVG: 118200 37.5397 -1.08431 72.4909 1.3867 6.26856 10.8037 73.7051 12.3229 -73.6657 TIMING: 118200 CPU: 352.748, 0.00298966/step Wall: 352.748, 0.00298966/step, 4.05415 hours remaining, 205.769531 MB of memory in use. ENERGY: 118200 763.7486 2054.2043 1951.1454 103.2320 -206191.5217 17622.0294 0.0000 0.0000 34350.3410 -149346.8211 299.9901 -183697.1620 -149253.9297 298.4519 -185.6064 -152.6264 557492.4659 -10.0228 -9.9525 PRESSURE: 118400 110.158 -15.337 -72.6302 -15.3358 24.8542 -131.179 -72.6307 -131.18 115.157 GPRESSURE: 118400 226.281 15.4164 -114.501 -15.4497 -0.926567 -179.783 -55.2996 -148.186 116.559 PRESSAVG: 118400 -93.1416 2.46305 12.2441 2.46296 95.3193 -55.7168 12.244 -55.7168 1.50833 GPRESSAVG: 118400 -93.5318 4.27753 14.7321 0.747334 95.7101 -53.7479 10.3255 -53.8757 1.45095 TIMING: 118400 CPU: 353.339, 0.00295693/step Wall: 353.339, 0.00295693/step, 4.0096 hours remaining, 205.769531 MB of memory in use. ENERGY: 118400 759.9422 2049.2527 1910.2815 113.6409 -206449.2289 17859.8801 0.0000 0.0000 34458.9780 -149297.2534 300.9388 -183756.2315 -149197.6960 299.3772 83.3895 113.9710 556769.9554 1.2287 1.2097 PRESSURE: 118600 -9.51673 -201.925 -0.293123 -201.927 -236.971 85.9173 -0.292274 85.917 -45.9767 GPRESSURE: 118600 17.7031 -254.124 -47.7056 -107.582 -172.511 111.448 39.5757 94.0029 -33.3888 PRESSAVG: 118600 32.9081 -39.5441 58.3154 -39.5441 -26.9789 28.1355 58.3155 28.1356 6.28981 GPRESSAVG: 118600 32.6571 -38.4345 56.0413 -40.3998 -26.693 27.4871 59.1364 25.7767 6.29289 TIMING: 118600 CPU: 353.933, 0.00297208/step Wall: 353.933, 0.00297208/step, 4.02998 hours remaining, 205.769531 MB of memory in use. ENERGY: 118600 745.2121 2096.3108 1942.5173 113.0857 -206239.6430 17682.3869 0.0000 0.0000 34287.4854 -149372.6447 299.4411 -183660.1301 -149283.5775 299.0423 -97.4880 -62.7323 556550.1558 4.0730 4.0857 PRESSURE: 118800 -103.624 42.9362 -77.3875 42.9362 -299.178 41.2761 -77.3873 41.2772 -203.104 GPRESSURE: 118800 -56.4304 195.83 -68.3 -36.6562 -307.51 107.126 -80.4781 -26.4314 -129.076 PRESSAVG: 118800 10.3361 32.2461 38.0636 32.246 7.86189 8.23175 38.0636 8.2318 -25.0982 GPRESSAVG: 118800 10.7826 31.7033 38.4752 32.7845 7.11086 8.31584 39.2121 7.93359 -25.0926 TIMING: 118800 CPU: 354.528, 0.00297174/step Wall: 354.528, 0.00297174/step, 4.02936 hours remaining, 205.769531 MB of memory in use. ENERGY: 118800 726.5983 2137.8437 1950.2962 105.0388 -206242.6186 17691.1779 0.0000 0.0000 34260.2245 -149371.4393 299.2031 -183631.6638 -149275.5141 298.7289 -201.9685 -164.3388 557474.6721 -2.3001 -2.3997 PRESSURE: 119000 22.4627 -15.4603 34.9332 -15.4595 108.977 -52.3075 34.9326 -52.3059 186.674 GPRESSURE: 119000 38.3225 -91.3237 94.7935 79.0518 161.189 -23.768 120.899 22.8383 217.329 PRESSAVG: 119000 16.5342 4.03198 14.7495 4.03192 -33.8271 -48.9349 14.7495 -48.9349 28.8837 GPRESSAVG: 119000 16.7434 2.20954 14.4968 5.3225 -34.2494 -48.3601 14.3815 -46.9403 28.904 TIMING: 119000 CPU: 355.126, 0.00299112/step Wall: 355.126, 0.00299112/step, 4.05546 hours remaining, 205.769531 MB of memory in use. ENERGY: 119000 722.0515 2076.5402 1940.7032 110.0012 -206741.0051 18084.7243 0.0000 0.0000 34379.4297 -149427.5549 300.2441 -183806.9846 -149331.4538 298.6307 106.0378 138.9469 556020.5551 3.8636 3.7993 PRESSURE: 119200 -126.721 -165.479 69.232 -165.481 -85.5008 83.9385 69.2314 83.939 -43.9469 GPRESSURE: 119200 -79.9799 -242.464 76.2756 -144.593 -116.136 31.4275 99.45 108.577 31.2468 PRESSAVG: 119200 -7.63723 -27.5368 -43.8996 -27.5369 9.54538 -52.9205 -43.8997 -52.9205 -13.5905 GPRESSAVG: 119200 -7.71317 -25.1548 -43.4036 -29.1888 8.3545 -53.6167 -44.8154 -53.7239 -12.6835 TIMING: 119200 CPU: 355.722, 0.00298198/step Wall: 355.722, 0.00298198/step, 4.0429 hours remaining, 205.769531 MB of memory in use. ENERGY: 119200 703.0086 2121.5733 1938.9869 104.6977 -206110.1739 17678.7415 0.0000 0.0000 34415.0270 -149148.1388 300.5550 -183563.1658 -149056.7771 298.6720 -85.3896 -54.9565 558249.1369 -3.8941 -4.0140 PRESSURE: 119400 38.7013 101.055 -188.226 101.055 -66.8302 -29.8267 -188.226 -29.8267 -211.159 GPRESSURE: 119400 18.3197 73.1863 -117.871 199.664 20.768 -21.1582 -224.111 -45.1236 -175.533 PRESSAVG: 119400 -24.3515 9.54993 -18.2996 9.54988 -28.2123 -9.24802 -18.2996 -9.24807 -2.62124 GPRESSAVG: 119400 -25.7637 10.1693 -18.666 12.052 -28.1584 -8.56648 -16.6735 -10.2811 -1.6241 TIMING: 119400 CPU: 356.321, 0.00299572/step Wall: 356.321, 0.00299572/step, 4.06136 hours remaining, 205.769531 MB of memory in use. ENERGY: 119400 743.5912 2085.0383 1952.8417 114.8711 -206293.5762 17854.1777 0.0000 0.0000 34262.2273 -149280.8289 299.2206 -183543.0562 -149181.3067 299.3114 -79.7625 -45.4819 558527.6776 -18.3950 -18.5154 PRESSURE: 119600 -166.99 -31.3693 -35.6581 -31.3678 -375.823 48.57 -35.6572 48.5699 -413.171 GPRESSURE: 119600 -143.497 17.0516 27.3102 -38.5723 -366.424 51.9525 -55.4733 43.0186 -351.544 PRESSAVG: 119600 4.84399 3.63001 -79.3678 3.62997 -53.4497 -22.7519 -79.3678 -22.7518 28.136 GPRESSAVG: 119600 6.54515 2.4695 -79.5282 2.77906 -52.3033 -22.4657 -80.2061 -23.1105 25.6665 TIMING: 119600 CPU: 356.92, 0.00299444/step Wall: 356.92, 0.00299444/step, 4.05946 hours remaining, 205.769531 MB of memory in use. ENERGY: 119600 746.1311 2132.8877 1961.6303 106.0554 -205819.3381 17468.4241 0.0000 0.0000 34246.8316 -149157.3778 299.0861 -183404.2094 -149062.5712 299.6288 -318.6612 -287.1546 557921.0303 -6.8232 -6.6972 PRESSURE: 119800 151.818 -80.0319 20.058 -80.0315 110.51 65.7831 20.0569 65.7828 45.7428 GPRESSURE: 119800 153.271 -34.4728 87.5698 -37.9145 146.308 117.393 74.0734 101.943 114.352 PRESSAVG: 119800 43.4238 -21.8075 -7.74944 -21.8077 -25.74 39.6131 -7.74952 39.6131 -11.8226 GPRESSAVG: 119800 42.7534 -18.7257 -7.87439 -23.4858 -25.4583 38.1723 -8.08082 42.0854 -11.5744 TIMING: 119800 CPU: 357.519, 0.0029945/step Wall: 357.519, 0.0029945/step, 4.05938 hours remaining, 205.769531 MB of memory in use. ENERGY: 119800 730.3258 2053.6723 1910.8238 114.1084 -206131.2102 17848.6028 0.0000 0.0000 34214.3757 -149259.3013 298.8027 -183473.6770 -149162.1613 299.1145 102.6904 137.9769 557488.0240 1.9537 1.9069 PRESSURE: 120000 22.2582 29.6733 -20.3232 29.673 125.239 39.3045 -20.3243 39.3035 -219.49 GPRESSURE: 120000 94.7939 -33.8478 -62.9611 36.4765 116.385 102.405 51.299 -19.8034 -183.401 PRESSAVG: 120000 53.5051 -56.7139 -11.2273 -56.714 -23.6222 50.2085 -11.2272 50.2086 -37.5527 GPRESSAVG: 120000 53.302 -58.6723 -7.91163 -55.0778 -24.1669 52.779 -13.4331 46.9093 -37.2418 TIMING: 120000 CPU: 358.118, 0.00299358/step Wall: 358.118, 0.00299358/step, 4.05796 hours remaining, 205.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 120000 751.9135 2073.3856 1964.4794 126.9241 -206021.3833 17740.0471 0.0000 0.0000 34339.9584 -149024.6753 299.8994 -183364.6337 -148927.6966 299.8036 -23.9977 9.2595 557688.4087 -2.5566 -2.7022 PRESSURE: 120200 -199.325 16.622 43.8909 16.6225 -86.8055 2.97885 43.8901 2.97794 -340.417 GPRESSURE: 120200 -166.383 58.9782 53.082 55.6579 -72.3209 -4.34553 95.7802 -70.1721 -284.774 PRESSAVG: 120200 -1.01939 -25.4024 53.0413 -25.4024 -74.5194 45.9747 53.0412 45.9747 23.9137 GPRESSAVG: 120200 -0.762834 -23.8358 51.9344 -26.4021 -73.8979 43.4804 55.1422 48.0131 23.9671 TIMING: 120200 CPU: 358.715, 0.00298514/step Wall: 358.715, 0.00298514/step, 4.04636 hours remaining, 205.769531 MB of memory in use. ENERGY: 120200 748.0830 2069.0042 1964.7696 112.4441 -206264.7400 17756.0345 0.0000 0.0000 34393.6686 -149220.7360 300.3685 -183614.4046 -149126.6743 299.2741 -208.8491 -174.4925 557617.0725 -17.2084 -16.8979 LDB: ============= START OF LOAD BALANCING ============== 362.232 LDB: ============== END OF LOAD BALANCING =============== 362.232 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 362.234 LDB: ============= START OF LOAD BALANCING ============== 362.536 LDB: Largest compute 4773 load 0.031037 is 26.3% of average load 0.117853 LDB: Average compute 0.001741 is 1.5% of average load 0.117853 LDB: TIME 362.538 LOAD: AVG 0.117853 MAX 0.210497 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.496 MB LDB: TIME 362.539 LOAD: AVG 0.117853 MAX 0.210497 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.496 MB LDB: TIME 362.539 LOAD: AVG 0.117853 MAX 0.210497 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.496 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 362.541 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 362.545 PRESSURE: 120400 -78.4433 18.1509 -30.9698 18.1517 436.671 13.9674 -30.9702 13.9677 34.3422 GPRESSURE: 120400 -53.9045 60.866 -73.6237 8.66673 424.576 -13.0047 -35.2543 37.6752 121.151 PRESSAVG: 120400 5.49651 -29.5538 -0.122167 -29.5539 12.7883 37.8385 -0.122112 37.8385 -13.8654 GPRESSAVG: 120400 5.70938 -31.1175 -2.27742 -29.2919 12.5099 37.9597 -0.316945 37.0966 -13.7793 TIMING: 120400 CPU: 359.328, 0.00306645/step Wall: 359.328, 0.00306645/step, 4.1564 hours remaining, 203.937500 MB of memory in use. ENERGY: 120400 728.7239 2060.6890 1976.0936 110.0775 -206339.8657 17941.0003 0.0000 0.0000 34340.2508 -149183.0305 299.9020 -183523.2814 -149086.3327 299.5197 130.8565 163.9408 556887.1113 1.4731 1.4800 PRESSURE: 120600 -190.563 -91.5388 48.0541 -91.5376 -5.0024 24.7093 48.055 24.7101 1.75891 GPRESSURE: 120600 -134.747 -105.834 85.501 -62.4761 17.2253 -36.1265 65.3327 -7.62231 25.7277 PRESSAVG: 120600 -60.7568 -53.4977 -19.8929 -53.4976 121.071 23.1012 -19.893 23.1013 -43.3903 GPRESSAVG: 120600 -60.7438 -52.7377 -19.7168 -53.2855 121.435 23.6462 -18.7287 23.4135 -44.2458 TIMING: 120600 CPU: 359.926, 0.00298834/step Wall: 359.926, 0.00298834/step, 4.05036 hours remaining, 204.195312 MB of memory in use. ENERGY: 120600 748.8130 2116.0406 1946.6763 108.3096 -205904.0363 17772.5038 0.0000 0.0000 34216.7072 -148994.9859 298.8230 -183211.6931 -148898.0277 299.2255 -64.6022 -30.5979 559070.5831 5.6414 5.4818 PRESSURE: 120800 334.696 11.0746 -44.9989 11.0745 -160.791 -57.927 -44.9987 -57.9277 62.7417 GPRESSURE: 120800 358.983 101.841 76.2808 -108.02 -93.2538 -73.3718 -77.808 -63.9475 59.1873 PRESSAVG: 120800 -25.9851 5.97058 -8.80717 5.97057 35.8847 32.3599 -8.8072 32.36 -5.94787 GPRESSAVG: 120800 -28.0002 5.5132 -7.0625 5.2418 37.9627 32.8259 -10.1323 32.5962 -5.85504 TIMING: 120800 CPU: 360.526, 0.00299897/step Wall: 360.526, 0.00299897/step, 4.0646 hours remaining, 204.195312 MB of memory in use. ENERGY: 120800 748.2645 2042.1576 1935.7277 110.5466 -205906.4186 17768.5689 0.0000 0.0000 34105.0106 -149196.1428 297.8475 -183301.1534 -149098.7570 299.3516 78.8821 108.3055 556377.2707 1.3173 1.3692 PRESSURE: 121000 115.675 66.7287 -273.811 66.7279 -33.8037 97.6797 -273.811 97.6803 91.1828 GPRESSURE: 121000 89.0318 32.4066 -150.276 77.2943 28.808 145.936 -360.017 139.092 149.987 PRESSAVG: 121000 -30.3684 -19.0935 -44.6657 -19.0936 38.2824 -15.8176 -44.6657 -15.8176 26.0907 GPRESSAVG: 121000 -28.8945 -19.8403 -44.9244 -18.4537 36.0194 -13.935 -45.6857 -18.1665 26.1915 TIMING: 121000 CPU: 361.126, 0.0030039/step Wall: 361.126, 0.0030039/step, 4.07111 hours remaining, 204.195312 MB of memory in use. ENERGY: 121000 773.5319 2090.0908 1945.1430 110.2550 -206322.0340 17895.6844 0.0000 0.0000 34303.8707 -149203.4582 299.5842 -183507.3289 -149106.3784 299.2314 57.6847 89.2757 557409.6012 11.3349 11.1055 PRESSURE: 121200 -76.52 60.8622 -9.99297 60.8628 -243.594 -39.5686 -9.99358 -39.5695 -161.73 GPRESSURE: 121200 -54.0916 88.8577 -71.4763 -11.8061 -191.023 32.8399 8.45592 -20.245 -155.009 PRESSAVG: 121200 15.1307 15.662 -28.1503 15.662 -12.2796 3.98218 -28.1503 3.98206 17.1199 GPRESSAVG: 121200 14.8715 16.1166 -29.7724 16.3673 -11.3299 2.87605 -27.5515 5.45638 15.9567 TIMING: 121200 CPU: 361.723, 0.00298441/step Wall: 361.723, 0.00298441/step, 4.04454 hours remaining, 204.195312 MB of memory in use. ENERGY: 121200 721.5636 2024.8374 1946.1314 124.8035 -206072.2484 17617.9666 0.0000 0.0000 34288.8597 -149348.0862 299.4531 -183636.9460 -149245.4688 299.1307 -160.6145 -133.3744 558183.7442 6.6570 6.4994 PRESSURE: 121400 194.941 60.6572 -5.97567 60.6566 128.083 -87.9242 -5.97546 -87.9258 73.0404 GPRESSURE: 121400 168.077 133.692 -16.3488 46.3099 196.132 -141.268 17.5627 -20.1943 121.869 PRESSAVG: 121400 81.1459 10.8777 -12.3372 10.8777 -61.097 3.21742 -12.3371 3.21739 17.7199 GPRESSAVG: 121400 80.7798 10.837 -11.6521 10.4164 -62.6434 0.673974 -12.9097 3.85309 19.2314 TIMING: 121400 CPU: 362.317, 0.0029662/step Wall: 362.317, 0.0029662/step, 4.01969 hours remaining, 204.195312 MB of memory in use. ENERGY: 121400 727.5416 2058.6193 1937.7413 101.4024 -206602.0115 18082.8875 0.0000 0.0000 34326.6781 -149367.1413 299.7834 -183693.8194 -149268.9168 299.0879 132.0215 162.0258 557265.9127 12.5896 12.4559 PRESSURE: 121600 61.3957 108.756 -162.731 108.755 -83.1474 33.1671 -162.731 33.1684 -82.1034 GPRESSURE: 121600 85.5196 156.961 -305.818 -45.8103 -15.4153 -21.7776 -65.462 -78.0831 -64.5623 PRESSAVG: 121600 6.20236 -11.6246 -65.8449 -11.6247 -27.2006 12.3748 -65.8449 12.3748 12.9838 GPRESSAVG: 121600 6.93388 -11.9587 -66.5383 -11.7623 -26.473 12.4799 -66.045 11.8619 11.729 TIMING: 121600 CPU: 362.912, 0.00297477/step Wall: 362.912, 0.00297477/step, 4.03115 hours remaining, 204.253906 MB of memory in use. ENERGY: 121600 753.5179 2044.3771 1935.3299 115.2244 -206231.4370 17906.6544 0.0000 0.0000 34088.1738 -149388.1596 297.7005 -183476.3334 -149293.1094 298.5624 -34.6184 1.8473 558984.3989 -2.6715 -2.6034 PRESSURE: 121800 -213.853 15.4222 -59.4692 15.4218 -292.378 -23.3171 -59.4703 -23.3154 117.368 GPRESSURE: 121800 -199.17 -75.4236 -44.336 67.8345 -231.476 -40.5927 14.1673 -35.5882 145.71 PRESSAVG: 121800 26.5444 1.94694 -12.5128 1.94696 38.5729 -36.2395 -12.5128 -36.2396 -45.8819 GPRESSAVG: 121800 25.5609 0.518846 -13.4904 3.3779 38.4023 -34.3638 -12.2424 -35.1526 -45.086 TIMING: 121800 CPU: 363.501, 0.00294635/step Wall: 363.501, 0.00294635/step, 3.99247 hours remaining, 204.253906 MB of memory in use. ENERGY: 121800 758.4189 2073.9113 1973.2723 109.0137 -206217.7732 17902.7900 0.0000 0.0000 33899.1718 -149501.1952 296.0499 -183400.3670 -149409.6570 298.4068 -129.6208 -94.9786 558685.2301 6.4118 6.2924 PRESSURE: 122000 286.55 14.4398 23.9444 14.4395 -126.108 -137.887 23.944 -137.888 110.744 GPRESSURE: 122000 323.498 76.4747 50.6299 -27.8276 -77.2818 -114.728 -95.3188 -107.73 112.555 PRESSAVG: 122000 1.49356 47.1803 28.8275 47.1803 -52.2102 -19.2551 28.8275 -19.2551 34.7384 GPRESSAVG: 122000 2.21716 48.4542 31.2871 47.9677 -51.9602 -21.4276 28.6625 -20.8375 33.2938 TIMING: 122000 CPU: 364.091, 0.00295056/step Wall: 364.091, 0.00295056/step, 3.99802 hours remaining, 204.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 122000 745.1447 2053.6277 1920.3834 117.9169 -206762.1414 18028.5397 0.0000 0.0000 34282.2186 -149614.3104 299.3951 -183896.5290 -149513.0577 298.1399 90.3953 119.5903 556844.9177 -5.3261 -5.4831 PRESSURE: 122200 41.8089 38.2372 -15.8813 38.238 184.527 -97.6131 -15.8807 -97.6143 109.879 GPRESSURE: 122200 65.7463 69.3584 -14.0186 51.3304 176.398 -21.5918 -43.6326 -72.018 185.577 PRESSAVG: 122200 -48.2367 29.346 -66.4886 29.346 -7.47574 -17.054 -66.4885 -17.054 35.8147 GPRESSAVG: 122200 -47.9733 30.2027 -65.9849 27.6954 -9.04738 -15.9234 -67.3615 -14.5282 37.3922 TIMING: 122200 CPU: 364.689, 0.00298838/step Wall: 364.689, 0.00298837/step, 4.04908 hours remaining, 204.253906 MB of memory in use. ENERGY: 122200 755.4251 2094.0961 1958.4941 111.0895 -206519.1029 17908.5528 0.0000 0.0000 34063.4314 -149628.0141 297.4844 -183691.4455 -149525.1923 298.1110 112.0716 142.5740 556824.2011 -6.6326 -6.5428 PRESSURE: 122400 -140.054 -26.3101 -29.8794 -26.3101 -81.4048 26.6546 -29.8798 26.6542 57.1639 GPRESSURE: 122400 -125.788 9.47136 -44.0251 46.7159 -27.2064 72.0534 -59.7917 -64.9789 94.667 PRESSAVG: 122400 -16.0808 8.04979 -21.8811 8.04983 10.2405 -20.4153 -21.8811 -20.4153 -17.1789 GPRESSAVG: 122400 -16.8329 7.07229 -25.0354 9.31239 10.9864 -20.3014 -19.0138 -22.3134 -16.6099 TIMING: 122400 CPU: 365.286, 0.0029886/step Wall: 365.286, 0.0029886/step, 4.04923 hours remaining, 204.253906 MB of memory in use. ENERGY: 122400 711.9214 2030.1593 1958.6075 113.9158 -206517.1397 17788.4075 0.0000 0.0000 34219.7775 -149694.3508 298.8498 -183914.1283 -149598.1653 298.4984 -54.7648 -19.4426 558451.2029 -7.6731 -7.4855 PRESSURE: 122600 -30.5044 107.689 71.7728 107.689 49.6061 -103.148 71.7726 -103.146 237.946 GPRESSURE: 122600 -22.3825 10.4364 77.1915 146.458 174.564 -103.684 88.1451 -211.142 202.476 PRESSAVG: 122600 63.3276 42.3279 84.5935 42.3279 -15.9575 18.3182 84.5934 18.3182 -57.1239 GPRESSAVG: 122600 62.5784 41.1787 87.6408 42.4797 -14.3542 20.2966 81.9865 16.9354 -58.0514 TIMING: 122600 CPU: 365.889, 0.0030135/step Wall: 365.889, 0.0030135/step, 4.08279 hours remaining, 204.253906 MB of memory in use. ENERGY: 122600 745.1142 2076.0418 1957.1831 108.1164 -206481.9364 17921.0787 0.0000 0.0000 34296.2494 -149378.1528 299.5177 -183674.4022 -149281.6499 298.9458 85.6826 118.2193 556567.6897 -3.2513 -3.2757 PRESSURE: 122800 -20.9613 30.6038 -126.586 30.6027 -240.747 43.7537 -126.586 43.7545 -75.1261 GPRESSURE: 122800 -29.8891 45.7687 -78.7735 52.3504 -199.926 118.667 -19.9161 -17.2738 -4.85272 PRESSAVG: 122800 31.1525 22.0491 58.5765 22.0491 42.6649 7.89212 58.5764 7.8922 -69.1942 GPRESSAVG: 122800 31.8714 24.6064 57.5933 17.8403 41.6951 5.14455 58.6122 11.1194 -68.7342 TIMING: 122800 CPU: 366.488, 0.00299688/step Wall: 366.488, 0.00299688/step, 4.06011 hours remaining, 204.253906 MB of memory in use. ENERGY: 122800 722.8622 1993.1645 1943.0796 109.0837 -206093.5350 17379.0718 0.0000 0.0000 34418.8439 -149527.4294 300.5883 -183946.2733 -149432.4006 298.7156 -112.2780 -78.2227 556007.3706 1.5411 1.6108 PRESSURE: 123000 75.0432 51.2815 -79.5551 51.2817 -32.5362 129.116 -79.5557 129.117 154.198 GPRESSURE: 123000 125.018 34.0997 -49.1894 3.62407 -31.2772 160.239 38.8634 82.0653 197.783 PRESSAVG: 123000 63.7249 -11.5963 47.1109 -11.5964 -40.6416 36.6812 47.1108 36.6812 3.55076 GPRESSAVG: 123000 63.6436 -12.7701 48.0597 -10.4248 -40.8407 38.6246 47.1185 34.0187 3.94268 TIMING: 123000 CPU: 367.086, 0.00299009/step Wall: 367.086, 0.00299009/step, 4.05074 hours remaining, 204.253906 MB of memory in use. ENERGY: 123000 766.0655 2080.9613 1950.7276 114.7130 -206628.4020 17977.8076 0.0000 0.0000 34276.8577 -149461.2693 299.3483 -183738.1270 -149373.6003 298.2401 65.5684 97.1747 557832.6370 8.8780 8.9152 PRESSURE: 123200 -256.326 43.1969 -33.8614 43.1974 -34.6093 67.6214 -33.8612 67.6215 -124.423 GPRESSURE: 123200 -211.16 87.852 -33.0132 54.4884 -36.8683 58.6249 -27.2284 68.5438 -63.0427 PRESSAVG: 123200 35.8067 -17.1411 -77.6667 -17.1411 -5.67541 34.2106 -77.6666 34.2106 -31.6614 GPRESSAVG: 123200 36.2132 -16.689 -76.1528 -15.1277 -5.39975 33.4096 -78.7474 35.075 -32.5733 TIMING: 123200 CPU: 367.678, 0.00296001/step Wall: 367.678, 0.00296001/step, 4.00982 hours remaining, 204.253906 MB of memory in use. ENERGY: 123200 779.6161 2012.3560 1963.2341 116.8292 -206554.1220 17765.1501 0.0000 0.0000 34267.0628 -149649.8737 299.2628 -183916.9365 -149555.3253 298.9874 -138.4527 -103.6903 556065.0372 -0.5100 -0.5866 PRESSURE: 123400 54.8939 154.308 -30.2024 154.309 63.1594 -50.7993 -30.2013 -50.7998 -275.6 GPRESSURE: 123400 44.378 122.151 -51.7437 197.764 76.7532 -151.887 -52.6664 1.08261 -171.673 PRESSAVG: 123400 19.2975 25.0589 -23.6853 25.059 22.3118 11.8065 -23.6853 11.8064 -71.4653 GPRESSAVG: 123400 19.5439 26.7865 -23.5358 22.8286 21.6099 14.0151 -22.668 10.4261 -71.1297 TIMING: 123400 CPU: 368.27, 0.00295622/step Wall: 368.27, 0.00295622/step, 4.00452 hours remaining, 204.253906 MB of memory in use. ENERGY: 123400 733.4383 2109.1661 1976.9616 119.1512 -206460.0011 17748.4136 0.0000 0.0000 34107.7262 -149665.1441 297.8713 -183772.8703 -149567.0989 298.4038 -52.5157 -16.8472 556419.1205 -9.9520 -9.9920 PRESSURE: 123600 -147.652 -145.023 -0.154842 -145.024 -319.078 -8.89332 -0.154616 -8.89348 -84.3897 GPRESSURE: 123600 -43.7253 -135.563 -72.6598 -94.444 -334.882 -4.05772 -29.7273 -60.7464 -86.9803 PRESSAVG: 123600 40.9396 19.928 9.62034 19.928 -41.4608 12.3253 9.62036 12.3253 17.701 GPRESSAVG: 123600 40.6839 18.6686 8.34073 20.6732 -40.3597 7.42214 9.93645 13.9114 16.9363 TIMING: 123600 CPU: 368.864, 0.00297245/step Wall: 368.864, 0.00297245/step, 4.02636 hours remaining, 204.253906 MB of memory in use. ENERGY: 123600 730.6600 2117.3375 1934.5571 115.3643 -206038.8701 17463.9487 0.0000 0.0000 34078.0813 -149598.9211 297.6124 -183677.0024 -149498.5240 298.3032 -183.7063 -155.1957 556851.2497 5.7266 5.7535 PRESSURE: 123800 289.494 162.815 -15.1967 162.814 211.064 -40.7578 -15.1973 -40.7565 151.93 GPRESSURE: 123800 335.794 190.628 -30.6008 102.489 285.345 -104.891 59.6956 112.223 129.791 PRESSAVG: 123800 -20.4067 12.8801 -50.2798 12.8802 -24.8775 -20.8195 -50.2798 -20.8195 -5.02471 GPRESSAVG: 123800 -20.7922 13.8559 -50.5931 13.503 -25.3161 -19.9525 -48.6829 -21.1945 -3.5463 TIMING: 123800 CPU: 369.46, 0.00298113/step Wall: 369.46, 0.00298113/step, 4.03794 hours remaining, 204.253906 MB of memory in use. ENERGY: 123800 725.0694 2056.7083 1962.8064 105.2214 -206828.9205 18133.0669 0.0000 0.0000 34253.4339 -149592.6142 299.1438 -183846.0481 -149494.6979 299.0226 217.4961 250.3099 554983.3744 -16.7696 -16.5515 PRESSURE: 124000 31.3765 -51.5125 -90.7152 -51.5118 -116.632 21.1238 -90.7146 21.1237 157.714 GPRESSURE: 124000 74.0815 -54.7078 -21.2705 23.6482 -75.7239 0.257529 -87.0139 32.5899 166.953 PRESSAVG: 124000 41.092 8.72442 -41.6265 8.72442 12.9779 25.7454 -41.6265 25.7455 2.1258 GPRESSAVG: 124000 41.9673 8.65324 -41.1776 9.89387 12.669 26.3866 -42.5163 25.5181 1.45072 TIMING: 124000 CPU: 370.058, 0.00298692/step Wall: 370.058, 0.00298692/step, 4.04562 hours remaining, 204.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 124000 749.6903 2082.2364 1930.7536 103.4538 -206514.2523 17874.9933 0.0000 0.0000 34281.0343 -149492.0905 299.3848 -183773.1248 -149387.9919 298.8259 24.1529 55.1034 556472.3569 18.7319 18.6957 PRESSURE: 124200 126.333 159.711 5.40631 159.712 -162.905 -65.8976 5.40687 -65.8973 -324.988 GPRESSURE: 124200 114.143 179.458 32.3972 108.181 -117.73 -24.8495 -53.6719 2.89761 -270.128 PRESSAVG: 124200 20.0189 36.2973 -67.5939 36.2973 -57.1035 13.8691 -67.5939 13.8691 -7.58809 GPRESSAVG: 124200 20.1968 34.7547 -69.2329 36.9123 -56.8092 12.659 -67.0641 14.2818 -7.95388 TIMING: 124200 CPU: 370.656, 0.00298946/step Wall: 370.656, 0.00298946/step, 4.04889 hours remaining, 204.253906 MB of memory in use. ENERGY: 124200 737.1130 2047.2159 1938.1310 109.9370 -206328.0607 17804.3234 0.0000 0.0000 34045.9508 -149645.3896 297.3318 -183691.3404 -149553.2683 298.4826 -120.5199 -91.2382 557643.8009 -14.8909 -14.8554 LDB: ============= START OF LOAD BALANCING ============== 374.174 LDB: ============== END OF LOAD BALANCING =============== 374.174 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 374.175 LDB: ============= START OF LOAD BALANCING ============== 374.477 LDB: Largest compute 4773 load 0.030513 is 25.9% of average load 0.117732 LDB: Average compute 0.001739 is 1.5% of average load 0.117732 LDB: TIME 374.479 LOAD: AVG 0.117732 MAX 0.208512 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.895 MB LDB: TIME 374.479 LOAD: AVG 0.117732 MAX 0.208512 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.895 MB LDB: TIME 374.479 LOAD: AVG 0.117732 MAX 0.208512 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.895 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 374.481 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 374.485 PRESSURE: 124400 -165.943 -14.9472 70.146 -14.9463 -107.634 -85.4808 70.1475 -85.4808 -153.606 GPRESSURE: 124400 -171.775 -29.5331 108.821 -89.3817 -90.9826 -82.7995 31.2571 -101.152 -71.3179 PRESSAVG: 124400 -56.5732 -23.9646 -32.0847 -23.9646 45.0091 -30.0977 -32.0846 -30.0976 30.6874 GPRESSAVG: 124400 -56.9365 -23.2689 -30.3432 -26.4497 44.966 -30.6053 -31.333 -29.3034 31.2371 TIMING: 124400 CPU: 371.269, 0.00306495/step Wall: 371.269, 0.00306495/step, 4.15096 hours remaining, 204.449219 MB of memory in use. ENERGY: 124400 771.1367 2103.3692 1945.0816 114.5498 -206284.6935 17782.8146 0.0000 0.0000 34207.7966 -149359.9450 298.7452 -183567.7416 -149264.2336 298.6190 -142.3944 -111.3586 557906.0896 6.3744 6.4222 PRESSURE: 124600 78.0116 27.3293 -30.6315 27.329 -3.05153 -377.8 -30.6324 -377.8 -19.4691 GPRESSURE: 124600 101.393 56.1935 -78.4814 47.9653 40.4157 -241.117 76.4977 -278.97 14.3454 PRESSAVG: 124600 -14.4346 13.2006 -22.4278 13.2006 85.3045 -129.995 -22.4279 -129.995 -48.0137 GPRESSAVG: 124600 -13.886 14.3956 -23.3291 14.6515 85.6389 -127.422 -22.0088 -130.004 -48.9403 TIMING: 124600 CPU: 371.874, 0.00302428/step Wall: 371.874, 0.00302428/step, 4.09571 hours remaining, 204.910156 MB of memory in use. ENERGY: 124600 746.0658 2062.8867 1968.9724 113.7764 -206519.2689 18057.8843 0.0000 0.0000 34279.1326 -149290.5507 299.3682 -183569.6833 -149196.1975 299.3154 18.4970 52.0515 558355.4364 7.6188 7.6042 PRESSURE: 124800 -167.859 125.138 -118.489 125.137 -56.8621 -19.1549 -118.49 -19.1563 -53.258 GPRESSURE: 124800 -168.33 88.0558 -234.087 87.2765 -4.96028 -49.7643 44.6046 61.9442 -9.5635 PRESSAVG: 124800 13.801 -6.46605 18.0923 -6.46605 -0.938975 -33.0949 18.0924 -33.095 14.6166 GPRESSAVG: 124800 13.3366 -7.91956 17.5428 -7.06102 -1.9073 -35.19 18.0882 -33.0134 15.9314 TIMING: 124800 CPU: 372.475, 0.00300684/step Wall: 372.475, 0.00300684/step, 4.07192 hours remaining, 204.910156 MB of memory in use. ENERGY: 124800 760.6580 2104.6053 1929.4127 106.6241 -205904.8147 17621.3418 0.0000 0.0000 34083.9067 -149298.2661 297.6632 -183382.1728 -149200.1238 299.0001 -92.6597 -60.9514 557199.0320 9.1595 9.1202 PRESSURE: 125000 -66.0168 30.8963 -47.0821 30.8964 141.77 16.5376 -47.0826 16.5371 -213.803 GPRESSURE: 125000 -71.3623 55.8515 -26.7865 75.6322 217.931 30.0381 -108.312 -5.28275 -196.282 PRESSAVG: 125000 -14.006 6.56402 22.3332 6.56404 50.0778 -10.7792 22.3332 -10.7791 -41.5144 GPRESSAVG: 125000 -13.2661 7.86836 22.0619 5.84241 51.29 -7.32292 21.9429 -12.0321 -43.4642 TIMING: 125000 CPU: 373.071, 0.00298118/step Wall: 373.071, 0.00298118/step, 4.03701 hours remaining, 204.910156 MB of memory in use. ENERGY: 125000 740.3462 2045.4797 1948.2971 110.9400 -206133.7852 17722.1342 0.0000 0.0000 34450.3645 -149116.2235 300.8636 -183566.5881 -149020.6103 299.1640 -46.0166 -16.5709 556764.7044 -1.8142 -1.8135 PRESSURE: 125200 71.8267 94.0795 -10.7049 94.08 89.2267 21.9917 -10.7043 21.9911 220.88 GPRESSURE: 125200 178.904 155.644 -9.44186 81.323 129.498 -11.3905 31.2135 61.5481 184.414 PRESSAVG: 125200 41.0344 16.3352 -16.4693 16.3352 -1.20537 15.7511 -16.4693 15.7511 23.0862 GPRESSAVG: 125200 40.5391 15.9531 -18.8337 16.5138 -1.89547 14.1639 -15.4586 15.813 23.4237 TIMING: 125200 CPU: 373.666, 0.00297326/step Wall: 373.666, 0.00297326/step, 4.02612 hours remaining, 204.910156 MB of memory in use. ENERGY: 125200 747.3789 2045.8750 1933.6774 112.5603 -206282.2646 18070.7879 0.0000 0.0000 34150.9593 -149221.0258 298.2488 -183371.9851 -149131.7413 299.4840 127.3110 164.2720 557294.6264 20.9717 20.6891 PRESSURE: 125400 -262.324 -87.1445 -7.06822 -87.1446 -35.4944 184.12 -7.06825 184.121 102.393 GPRESSURE: 125400 -176.48 -15.8739 23.7199 -131.08 25.7148 173.331 6.91559 155.82 71.1228 PRESSAVG: 125400 9.68644 19.5983 39.4745 19.5983 -30.1248 44.565 39.4745 44.5649 20.7907 GPRESSAVG: 125400 9.24141 17.9013 41.5017 21.173 -30.7253 42.1576 38.9289 45.5593 22.0226 TIMING: 125400 CPU: 374.264, 0.00299018/step Wall: 374.264, 0.00299018/step, 4.04887 hours remaining, 204.980469 MB of memory in use. ENERGY: 125400 802.0503 2033.6253 1929.3313 104.7244 -206263.6343 17769.2611 0.0000 0.0000 34400.5835 -149224.0584 300.4289 -183624.6419 -149131.2940 299.1346 -65.1417 -26.5476 557060.8655 0.1174 0.1796 PRESSURE: 125600 167.672 13.315 -44.166 13.3157 -277.96 -7.1055 -44.1641 -7.10574 -166.685 GPRESSURE: 125600 163.099 98.2419 -53.2817 82.4288 -248.792 -102.78 -111.864 80.8085 -113.211 PRESSAVG: 125600 27.9821 7.04776 22.7214 7.0478 -29.264 -0.398143 22.7214 -0.39817 -8.7323 GPRESSAVG: 125600 27.7776 9.46559 23.7407 6.61517 -28.1615 2.25147 22.6238 -1.66217 -9.81328 TIMING: 125600 CPU: 374.86, 0.0029826/step Wall: 374.86, 0.0029826/step, 4.03844 hours remaining, 204.980469 MB of memory in use. ENERGY: 125600 782.4459 2098.4042 1960.3879 117.9509 -206011.3366 17711.0338 0.0000 0.0000 34062.1381 -149278.9758 297.4731 -183341.1139 -149178.1081 299.1265 -92.3243 -66.3016 559050.7813 -3.3381 -3.3991 PRESSURE: 125800 -284.709 31.9684 160.763 31.9676 50.2574 11.4266 160.763 11.425 70.7456 GPRESSURE: 125800 -233.719 28.5149 153.822 -23.5766 72.9342 -32.4475 157.043 19.7451 86.1178 PRESSAVG: 125800 -12.9467 26.4377 13.0618 26.4377 30.4162 -9.91161 13.0619 -9.9116 -7.95237 GPRESSAVG: 125800 -12.3218 26.103 13.5845 24.5306 28.6367 -10.1448 11.4856 -11.2324 -6.43974 TIMING: 125800 CPU: 375.455, 0.00297395/step Wall: 375.455, 0.00297395/step, 4.02656 hours remaining, 204.980469 MB of memory in use. ENERGY: 125800 752.5322 2151.7341 1924.1000 117.6248 -206600.8360 18045.6759 0.0000 0.0000 34211.7315 -149397.4374 298.7796 -183609.1689 -149295.7572 298.7233 -54.5685 -24.8891 558420.3946 3.1724 3.2917 PRESSURE: 126000 -89.5738 102.106 -72.3978 102.107 -142.919 83.6718 -72.3974 83.6726 -277.569 GPRESSURE: 126000 -68.001 136.456 -68.306 36.4235 -118.938 49.5183 -11.9098 117.788 -234.222 PRESSAVG: 126000 23.2717 20.2383 38.8889 20.2383 15.2268 -18.2441 38.8889 -18.2441 -69.4472 GPRESSAVG: 126000 23.5339 18.3785 39.6507 19.6881 16.2694 -18.9715 40.7669 -17.4075 -70.8583 TIMING: 126000 CPU: 376.049, 0.00297017/step Wall: 376.049, 0.00297017/step, 4.02128 hours remaining, 204.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 126000 770.4893 2126.6253 1926.8857 104.6352 -206170.6974 17704.4784 0.0000 0.0000 34204.3049 -149333.2786 298.7147 -183537.5835 -149235.0112 299.2765 -170.0205 -140.3871 557932.6186 -10.3162 -10.3517 PRESSURE: 126200 7.71204 -66.7881 33.5493 -66.7884 -25.4131 -59.5832 33.5504 -59.5822 -90.1567 GPRESSURE: 126200 70.2217 -40.1042 142.812 -26.8324 -4.34029 -86.4279 -51.9318 -38.9131 -79.9476 PRESSAVG: 126200 -12.7645 -11.3888 50.6944 -11.3888 24.6494 -28.6632 50.6943 -28.6631 -55.3689 GPRESSAVG: 126200 -13.5772 -10.5748 49.8246 -8.52156 24.9317 -29.2126 49.7634 -29.0235 -54.8346 TIMING: 126200 CPU: 376.65, 0.00300352/step Wall: 376.65, 0.00300352/step, 4.06627 hours remaining, 204.980469 MB of memory in use. ENERGY: 126200 724.3945 2126.8941 1950.5683 106.0811 -205982.6535 17704.3742 0.0000 0.0000 34135.4396 -149234.9017 298.1133 -183370.3412 -149137.1476 299.2451 -35.9526 -4.6887 557647.6730 -14.4947 -14.4934 PRESSURE: 126400 94.5057 -79.6362 4.63579 -79.6363 -102.424 34.3849 4.63461 34.384 184.11 GPRESSURE: 126400 160.912 -81.8258 -6.92595 -70.1465 -71.1359 5.84443 57.8473 14.3184 188.017 PRESSAVG: 126400 -6.78868 7.76843 25.3737 7.76844 -15.1389 31.4195 25.3738 31.4195 26.2425 GPRESSAVG: 126400 -6.76143 4.52487 26.1735 7.09673 -15.703 31.8926 26.0617 31.6541 27.1417 TIMING: 126400 CPU: 377.248, 0.00298938/step Wall: 377.248, 0.00298938/step, 4.04695 hours remaining, 204.980469 MB of memory in use. ENERGY: 126400 755.1986 2099.8838 1940.9283 101.5619 -206707.0062 18156.2902 0.0000 0.0000 34244.3623 -149408.7810 299.0645 -183653.1433 -149312.0586 298.9559 58.7307 92.5977 556980.8978 1.4383 1.5591 PRESSURE: 126600 -93.9567 85.7954 -28.1021 85.7955 -283.368 147.472 -28.101 147.471 -381.781 GPRESSURE: 126600 52.6991 46.3551 -38.548 145.548 -251.101 120.204 -42.0369 174.172 -459.705 PRESSAVG: 126600 52.7747 38.3277 69.2169 38.3276 33.0082 -11.5398 69.2169 -11.5398 -111.707 GPRESSAVG: 126600 52.8586 41.3742 68.4978 39.1322 32.9165 -11.9322 68.8772 -10.0449 -111.959 TIMING: 126600 CPU: 377.854, 0.00303299/step Wall: 377.854, 0.00303299/step, 4.10582 hours remaining, 204.980469 MB of memory in use. ENERGY: 126600 780.2938 2110.8591 1948.7264 115.8970 -206171.3144 17645.7074 0.0000 0.0000 34103.6954 -149466.1353 297.8361 -183569.8307 -149365.5090 298.8264 -253.0355 -219.3690 557978.2494 -8.6413 -8.7280 PRESSURE: 126800 92.7863 42.9113 185.697 42.9107 347.11 9.85858 185.696 9.85865 -142.848 GPRESSURE: 126800 145.496 17.9248 222.817 82.5805 339.104 54.5884 136.689 -1.87035 -95.0455 PRESSAVG: 126800 -20.906 32.2221 2.45055 32.2221 85.8076 -9.85098 2.45054 -9.851 -107.22 GPRESSAVG: 126800 -20.1768 32.9307 4.63925 29.4614 85.7195 -10.9463 2.01417 -10.6911 -107.97 TIMING: 126800 CPU: 378.452, 0.00298785/step Wall: 378.452, 0.00298785/step, 4.04456 hours remaining, 204.980469 MB of memory in use. ENERGY: 126800 727.1142 2054.2555 1924.6759 113.1167 -206498.1400 17897.6895 0.0000 0.0000 34370.0624 -149411.2258 300.1623 -183781.2882 -149319.3841 298.7522 99.0159 129.8514 555828.7549 -14.1062 -14.1424 PRESSURE: 127000 -119.229 -71.3343 1.47281 -71.335 318.676 -44.9533 1.47288 -44.9531 -19.7297 GPRESSURE: 127000 -24.6309 -39.9243 -82.3377 -105.049 331.03 -60.5956 60.7885 -12.7127 -19.6704 PRESSAVG: 127000 -50.1486 32.065 52.1731 32.0651 56.2626 -0.180476 52.1732 -0.18044 -16.7152 GPRESSAVG: 127000 -51.4482 31.7454 49.7215 33.3353 57.7241 2.783 54.0302 -2.23274 -16.159 TIMING: 127000 CPU: 379.048, 0.00298225/step Wall: 379.048, 0.00298225/step, 4.03681 hours remaining, 204.980469 MB of memory in use. ENERGY: 127000 746.7722 2137.3475 1930.8024 105.6501 -206622.0573 18024.8590 0.0000 0.0000 34324.8990 -149351.7271 299.7679 -183676.6261 -149258.9632 298.8207 59.9058 95.5762 556801.3302 -3.5337 -3.2944 PRESSURE: 127200 -142.604 -21.2227 -218.748 -21.2225 238.653 54.2748 -218.748 54.2761 -66.6997 GPRESSURE: 127200 -44.421 -56.1422 -143.534 -40.6637 145.025 17.4945 -231.02 91.1222 20.4989 PRESSAVG: 127200 4.5696 19.6662 -12.114 19.6662 41.9589 12.4652 -12.114 12.4652 -64.553 GPRESSAVG: 127200 4.8148 19.7438 -11.7431 20.4407 41.8799 12.2244 -12.4608 13.0941 -65.1111 TIMING: 127200 CPU: 379.643, 0.00297156/step Wall: 379.643, 0.00297156/step, 4.02217 hours remaining, 204.980469 MB of memory in use. ENERGY: 127200 759.9885 2128.7376 1945.6760 107.9586 -206529.6358 17922.3717 0.0000 0.0000 34261.1459 -149403.7574 299.2111 -183664.9033 -149315.4968 299.0475 9.7828 40.3675 556830.1924 -6.0082 -6.1388 PRESSURE: 127400 -75.6567 160.054 -99.0624 160.053 -39.2422 74.6727 -99.0614 74.6735 174.204 GPRESSURE: 127400 -16.4976 137.308 -19.5971 221.623 18.0119 44.8212 -48.6841 99.0344 146.009 PRESSAVG: 127400 -18.8482 -43.3176 -34.3896 -43.3175 -41.5387 -33.544 -34.3894 -33.5441 -0.0552896 GPRESSAVG: 127400 -19.5552 -45.2487 -35.2798 -43.6987 -41.4888 -35.5837 -34.649 -32.077 0.580206 TIMING: 127400 CPU: 380.241, 0.00299378/step Wall: 380.241, 0.00299378/step, 4.05208 hours remaining, 204.980469 MB of memory in use. ENERGY: 127400 783.6944 2106.7889 1932.5411 111.9422 -206575.9631 18131.5600 0.0000 0.0000 34056.1314 -149453.3052 297.4207 -183509.4367 -149359.1697 298.8114 19.7685 49.1745 557505.4568 -20.1474 -20.1546 PRESSURE: 127600 -74.5558 -197.494 53.7146 -197.494 33.6052 -109.304 53.7145 -109.304 216.343 GPRESSURE: 127600 -4.7627 -172.715 -83.9059 -119.412 83.6957 -97.9246 40.7107 -61.3989 205.641 PRESSAVG: 127600 -49.9252 -18.614 -37.3684 -18.614 56.9165 -29.2999 -37.3684 -29.2999 -7.70046 GPRESSAVG: 127600 -48.7592 -17.1173 -36.9938 -18.8787 55.9974 -30.4332 -38.9555 -31.2392 -7.49745 TIMING: 127600 CPU: 380.841, 0.00299836/step Wall: 380.841, 0.00299836/step, 4.05811 hours remaining, 204.980469 MB of memory in use. ENERGY: 127600 754.3137 2073.9452 1966.0523 111.8442 -206476.0845 17819.1119 0.0000 0.0000 34244.7776 -149506.0397 299.0682 -183750.8173 -149403.3193 298.7578 58.4641 94.8581 557772.1544 -0.2364 -0.0864 PRESSURE: 127800 36.7423 54.1263 13.2335 54.1266 4.35935 96.0964 13.2338 96.098 157.211 GPRESSURE: 127800 80.8718 -6.95888 -37.2575 168.945 -10.4094 48.8636 32.4891 187.096 233.261 PRESSAVG: 127800 -54.7272 12.1269 -47.5414 12.1269 49.2377 -22.3485 -47.5414 -22.3484 20.1347 GPRESSAVG: 127800 -55.6338 11.5023 -47.5511 13.018 48.8068 -21.408 -45.4568 -20.852 21.9228 TIMING: 127800 CPU: 381.441, 0.00299949/step Wall: 381.441, 0.00299949/step, 4.05947 hours remaining, 204.980469 MB of memory in use. ENERGY: 127800 753.4589 2077.4266 1935.1861 111.8511 -206910.1493 18028.6860 0.0000 0.0000 34559.0974 -149444.4431 301.8132 -184003.5405 -149348.0403 299.1697 66.1042 101.2411 556821.9416 4.8817 5.0319 PRESSURE: 128000 -51.8607 -156.77 -144.596 -156.77 -382.334 78.9387 -144.597 78.9388 -232.539 GPRESSURE: 128000 -58.774 -96.0164 -111.562 -216.504 -305.533 95.4825 -227.209 -18.3482 -207.194 PRESSAVG: 128000 32.2854 -36.4258 -69.5474 -36.4258 20.9788 -9.23677 -69.5475 -9.23681 -55.4601 GPRESSAVG: 128000 32.9696 -34.3911 -65.0676 -36.8048 22.0894 -7.34684 -71.8921 -11.6855 -57.1655 TIMING: 128000 CPU: 382.038, 0.00298405/step Wall: 382.038, 0.00298405/step, 4.03842 hours remaining, 204.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 128000 786.1361 2093.1917 1913.3049 110.2156 -206079.5985 17649.9046 0.0000 0.0000 34299.7845 -149227.0610 299.5485 -183526.8456 -149123.1196 299.4496 -222.2448 -190.5006 558661.1214 -0.7320 -0.7022 PRESSURE: 128200 137.008 70.2874 -186.121 70.2871 -184.327 -17.4174 -186.121 -17.4177 -185.77 GPRESSURE: 128200 140.597 68.675 -195.451 60.7071 -193.35 14.6108 -167.414 7.03285 -77.0208 PRESSAVG: 128200 67.3194 -15.1034 -36.9689 -15.1034 -9.06612 -20.6659 -36.9689 -20.6661 -49.2389 GPRESSAVG: 128200 67.9151 -15.6345 -39.2823 -14.464 -8.59411 -21.377 -35.9275 -19.103 -50.7376 TIMING: 128200 CPU: 382.642, 0.00302055/step Wall: 382.642, 0.00302055/step, 4.08764 hours remaining, 204.980469 MB of memory in use. ENERGY: 128200 743.1938 2073.6823 1950.0370 112.6297 -206474.6681 17838.7522 0.0000 0.0000 34331.0487 -149425.3243 299.8216 -183756.3730 -149323.7807 299.3287 -77.6964 -43.2579 557387.2674 3.0048 2.8611 LDB: ============= START OF LOAD BALANCING ============== 386.161 LDB: ============== END OF LOAD BALANCING =============== 386.161 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 386.163 LDB: ============= START OF LOAD BALANCING ============== 386.465 LDB: Largest compute 4773 load 0.030011 is 25.5% of average load 0.117824 LDB: Average compute 0.001730 is 1.5% of average load 0.117824 LDB: TIME 386.468 LOAD: AVG 0.117824 MAX 0.212517 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.426 MB LDB: TIME 386.468 LOAD: AVG 0.117824 MAX 0.212517 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.629 MB LDB: TIME 386.468 LOAD: AVG 0.117824 MAX 0.212517 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.629 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 386.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 386.474 PRESSURE: 128400 -122.533 -69.4897 -0.351384 -69.4904 -224.858 -157.477 -0.352308 -157.478 -222.264 GPRESSURE: 128400 -90.5795 -114.327 -35.6683 -144.137 -201.958 -202.791 60.2236 -95.5429 -174.218 PRESSAVG: 128400 15.6213 17.637 -27.6553 17.637 -39.5464 -50.8226 -27.6552 -50.8227 -12.7565 GPRESSAVG: 128400 14.8064 17.4769 -28.0757 18.0921 -39.5444 -51.7681 -28.1474 -50.4934 -11.689 TIMING: 128400 CPU: 383.258, 0.0030796/step Wall: 383.258, 0.0030796/step, 4.16738 hours remaining, 205.722656 MB of memory in use. ENERGY: 128400 715.7947 2049.5319 1937.2856 105.8032 -205824.9096 17391.1000 0.0000 0.0000 34452.5687 -149172.8255 300.8829 -183625.3941 -149068.7162 299.2084 -189.8849 -155.5853 557757.1386 -12.2272 -12.1423 PRESSURE: 128600 -9.12289 146.138 181.032 146.138 115.878 10.5065 181.033 10.5062 78.8737 GPRESSURE: 128600 23.9721 135.532 195.778 176.081 150.128 68.7342 135.393 -10.3143 114.561 PRESSAVG: 128600 4.91364 34.5226 -1.43733 34.5226 92.1158 -18.8081 -1.43722 -18.8081 -27.408 GPRESSAVG: 128600 5.90455 31.4586 -1.86232 36.3276 90.9787 -14.5124 -1.2834 -21.3361 -27.2412 TIMING: 128600 CPU: 383.863, 0.00302795/step Wall: 383.863, 0.00302795/step, 4.09732 hours remaining, 205.792969 MB of memory in use. ENERGY: 128600 717.9056 2030.4869 1963.6943 119.1734 -206007.8789 17743.1396 0.0000 0.0000 34400.2151 -149033.2640 300.4256 -183433.4791 -148942.1765 299.6556 61.8764 96.2202 557114.3055 23.2072 23.2140 PRESSURE: 128800 -567.506 138.455 -126.391 138.455 -289.029 111.608 -126.391 111.609 -300.864 GPRESSURE: 128800 -521.903 76.5073 -170.672 206.266 -290.971 145.603 -90.0756 47.1446 -249.159 PRESSAVG: 128800 15.5252 22.3168 -11.9067 22.3168 2.14666 4.92073 -11.9067 4.92073 -64.723 GPRESSAVG: 128800 15.2402 23.2521 -12.7501 19.8481 2.72956 2.79591 -10.7642 7.02863 -64.4182 TIMING: 128800 CPU: 384.468, 0.0030208/step Wall: 384.468, 0.0030208/step, 4.08748 hours remaining, 205.792969 MB of memory in use. ENERGY: 128800 772.5585 2018.7150 1960.6414 116.0397 -205603.9600 17483.2883 0.0000 0.0000 34024.4021 -149228.3150 297.1436 -183252.7171 -149125.9887 298.7962 -385.7995 -354.0111 560045.9078 -15.6837 -15.4828 PRESSURE: 129000 -351.066 -56.4167 92.4172 -56.416 -261.567 71.8444 92.4167 71.8457 18.6998 GPRESSURE: 129000 -305.948 -32.5563 148.207 -104.286 -254.499 26.546 104.5 82.4649 63.7702 PRESSAVG: 129000 -3.13476 33.5296 14.8589 33.5295 27.0458 39.0078 14.8587 39.0078 -36.7513 GPRESSAVG: 129000 -4.16067 35.7446 14.4563 33.2398 28.711 38.3207 15.0096 39.6504 -37.4966 TIMING: 129000 CPU: 385.066, 0.00299215/step Wall: 385.066, 0.00299215/step, 4.04855 hours remaining, 205.792969 MB of memory in use. ENERGY: 129000 767.9660 2077.1503 1983.1580 113.0686 -205805.7409 17497.8562 0.0000 0.0000 34177.4286 -149189.1133 298.4800 -183366.5419 -149102.1859 298.6310 -197.9777 -165.5588 558155.0104 -4.2801 -4.3154 PRESSURE: 129200 -277.612 38.1633 73.4887 38.1648 -157.107 -136.064 73.4899 -136.063 -99.7933 GPRESSURE: 129200 -262.597 18.9938 40.2073 113.416 -90.3391 -97.5561 35.8338 -137.663 -86.5262 PRESSAVG: 129200 -1.24695 -1.70759 -19.1577 -1.70753 16.4977 80.6644 -19.1576 80.6646 -24.2888 GPRESSAVG: 129200 -0.54818 -2.05418 -17.8389 -0.877568 15.5775 81.1757 -18.4609 78.8228 -23.9374 TIMING: 129200 CPU: 385.664, 0.002988/step Wall: 385.664, 0.002988/step, 4.04277 hours remaining, 205.792969 MB of memory in use. ENERGY: 129200 765.3231 2107.4364 1936.5762 127.8258 -205968.8900 17659.1902 0.0000 0.0000 34309.1541 -149063.3843 299.6304 -183372.5384 -148968.2514 299.6279 -178.1707 -146.4874 557958.2961 -3.0127 -2.9693 PRESSURE: 129400 -173.312 -18.4052 -84.9778 -18.4063 2.87829 -23.6149 -84.9774 -23.6163 218.609 GPRESSURE: 129400 -110.237 3.86314 -141.199 74.2545 36.0996 5.13911 -147.843 53.5107 220.832 PRESSAVG: 129400 -78.7255 -35.603 -40.0081 -35.603 8.37782 32.9118 -40.0081 32.9118 42.4738 GPRESSAVG: 129400 -78.3836 -36.6581 -38.8808 -35.641 8.01343 34.189 -41.3536 33.7615 42.2237 TIMING: 129400 CPU: 386.264, 0.00300267/step Wall: 386.264, 0.00300267/step, 4.06245 hours remaining, 205.792969 MB of memory in use. ENERGY: 129400 735.9164 2103.8506 1961.9211 120.4403 -206015.8107 17605.2259 0.0000 0.0000 34489.4441 -148999.0123 301.2049 -183488.4564 -148905.5021 299.8199 16.0584 48.8981 557221.4101 -9.2913 -9.3822 PRESSURE: 129600 277.922 -61.5757 -3.13206 -61.5751 131.497 -63.3098 -3.13065 -63.3092 205.898 GPRESSURE: 129600 360.839 -2.90791 -17.282 -50.5354 121.072 -87.9535 52.9708 -104.111 223.98 PRESSAVG: 129600 33.0358 25.2167 -68.8102 25.2167 -70.0588 87.212 -68.8103 87.2118 34.4053 GPRESSAVG: 129600 32.3686 25.9769 -70.5199 24.7456 -70.5029 85.4828 -68.9281 89.0175 35.417 TIMING: 129600 CPU: 386.86, 0.00298157/step Wall: 386.86, 0.00298157/step, 4.03374 hours remaining, 205.792969 MB of memory in use. ENERGY: 129600 707.0450 2109.7473 1990.2641 102.8790 -206394.6287 18001.8400 0.0000 0.0000 34514.4570 -148968.3964 301.4233 -183482.8534 -148872.9458 299.6198 205.1059 235.2971 556740.0097 -0.8726 -0.9058 PRESSURE: 129800 -230.971 63.4665 -109.685 63.4668 -153.877 -9.58401 -109.686 -9.58446 -14.0866 GPRESSURE: 129800 -171.561 23.6939 -75.7123 101.897 -92.8146 43.5522 -134.644 -26.3053 -41.7095 PRESSAVG: 129800 -35.1313 30.3172 -33.3379 30.3172 44.126 -17.8839 -33.3379 -17.8839 15.4621 GPRESSAVG: 129800 -35.8175 28.7797 -33.5354 31.4016 45.7 -16.0772 -33.5905 -19.1848 14.7801 TIMING: 129800 CPU: 387.456, 0.00297885/step Wall: 387.456, 0.00297885/step, 4.02988 hours remaining, 205.792969 MB of memory in use. ENERGY: 129800 743.3753 2085.7268 1936.8262 124.4540 -205774.9694 17559.6120 0.0000 0.0000 34331.2693 -148993.7057 299.8235 -183324.9750 -148893.2498 299.5237 -132.9785 -102.0283 557355.1600 8.1523 8.2209 PRESSURE: 130000 -206.134 -73.674 -154.807 -73.6747 48.77 149.775 -154.808 149.775 -85.6405 GPRESSURE: 130000 -172.5 -70.0837 -193.318 -77.0514 121.894 86.2512 -134.403 139.002 -104.346 PRESSAVG: 130000 -24.6651 13.5093 -77.2195 13.5093 -38.9741 13.5428 -77.2195 13.543 66.9633 GPRESSAVG: 130000 -24.4442 14.0634 -78.2702 14.3593 -38.8121 13.934 -75.5833 13.5956 66.9186 TIMING: 130000 CPU: 388.054, 0.00298767/step Wall: 388.054, 0.00298767/step, 4.04165 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: 130000 749.7275 2095.0692 1939.5739 105.7843 -205840.0854 17602.3329 0.0000 0.0000 34195.0766 -149152.5209 298.6341 -183347.5975 -149058.2092 299.0534 -81.0013 -51.6506 557426.0212 1.1080 1.2208 PRESSURE: 130200 -119.923 22.0156 105.592 22.0169 -83.7289 10.0593 105.592 10.057 123.997 GPRESSURE: 130200 -38.9281 -20.2191 82.5382 95.6082 -75.0185 -140.721 150.927 61.5655 128.92 PRESSAVG: 130200 24.3047 -20.2645 -8.67036 -20.2644 -58.907 8.6244 -8.67041 8.62431 12.6113 GPRESSAVG: 130200 24.7262 -20.2172 -7.39685 -21.978 -60.0452 9.11788 -9.07111 7.19359 12.987 TIMING: 130200 CPU: 388.658, 0.00301936/step Wall: 388.658, 0.00301936/step, 4.08435 hours remaining, 205.792969 MB of memory in use. ENERGY: 130200 751.2329 2085.8218 1971.3241 115.9201 -206164.7402 17800.3190 0.0000 0.0000 33952.5098 -149487.6126 296.5157 -183440.1224 -149395.8054 298.4444 -26.5515 4.9912 558091.9178 -7.3303 -7.4440 PRESSURE: 130400 -323.088 41.8111 -12.2571 41.8117 -180.653 27.9379 -12.2571 27.9389 -277.55 GPRESSURE: 130400 -315.919 44.5902 -45.5232 -16.6509 -105.91 4.95735 24.9251 82.652 -273.263 PRESSAVG: 130400 -32.3095 -25.9685 -42.8397 -25.9685 3.99101 -14.7578 -42.8398 -14.7578 5.65706 GPRESSAVG: 130400 -34.6067 -26.285 -41.5747 -25.6165 4.89079 -13.4511 -45.1475 -15.1106 7.10105 TIMING: 130400 CPU: 389.268, 0.00305012/step Wall: 389.268, 0.00305012/step, 4.1258 hours remaining, 205.792969 MB of memory in use. ENERGY: 130400 749.2656 2058.0324 1956.9930 109.2340 -206082.2230 17653.6941 0.0000 0.0000 34234.5747 -149320.4292 298.9791 -183555.0039 -149219.1967 298.7256 -260.4305 -231.6972 559445.3693 -7.5538 -7.5383 PRESSURE: 130600 106.925 85.7568 152.949 85.7566 229.851 -4.7713 152.949 -4.77101 174.99 GPRESSURE: 130600 166.945 46.5018 164.518 140.849 254.578 -3.14372 105.913 32.2276 188.011 PRESSAVG: 130600 -9.79032 -15.128 49.2156 -15.1279 40.1908 24.4528 49.2156 24.4528 -10.6376 GPRESSAVG: 130600 -8.68456 -15.0266 49.671 -13.1552 40.7601 21.1948 48.216 26.6961 -12.0275 TIMING: 130600 CPU: 389.871, 0.00301582/step Wall: 389.871, 0.00301582/step, 4.07923 hours remaining, 205.792969 MB of memory in use. ENERGY: 130600 710.4495 2098.5809 1982.1744 113.5456 -206653.3340 18070.7558 0.0000 0.0000 34343.1170 -149334.7108 299.9270 -183677.8279 -149241.6660 299.4341 170.5887 203.1780 557277.4094 6.5876 6.6827 PRESSURE: 130800 -279.221 -102.894 14.4939 -102.894 -63.9931 137.524 14.493 137.523 -239.72 GPRESSURE: 130800 -212.565 -87.0453 38.233 -102.165 -48.5405 131.249 0.891839 191.458 -228.54 PRESSAVG: 130800 3.02456 -51.7653 -9.58489 -51.7653 15.797 -17.759 -9.58485 -17.759 -35.2354 GPRESSAVG: 130800 4.28356 -52.7404 -10.9203 -53.1156 14.5676 -17.8398 -9.03031 -16.4199 -35.5926 TIMING: 130800 CPU: 390.472, 0.00300561/step Wall: 390.472, 0.00300561/step, 4.06525 hours remaining, 205.792969 MB of memory in use. ENERGY: 130800 741.9801 2050.0490 1984.4572 111.2746 -205955.5738 17497.3161 0.0000 0.0000 34201.0008 -149369.4962 298.6858 -183570.4970 -149279.0609 299.6002 -194.3113 -163.2152 556643.7742 -5.4713 -5.5805 PRESSURE: 131000 -138.31 -48.192 -77.2404 -48.1921 12.5651 226.294 -77.2411 226.292 209.829 GPRESSURE: 131000 -114.116 -35.9965 -106.352 -145.253 74.8345 255.741 -80.8033 258.546 212.624 PRESSAVG: 131000 -27.0238 -35.1291 -73.991 -35.1291 25.1959 64.9283 -73.9911 64.9282 15.9655 GPRESSAVG: 131000 -27.5049 -34.8373 -74.7883 -36.2183 25.6168 66.7201 -72.4308 64.7712 15.9573 TIMING: 131000 CPU: 391.071, 0.00299351/step Wall: 391.071, 0.00299351/step, 4.04873 hours remaining, 205.792969 MB of memory in use. ENERGY: 131000 732.7975 2041.2801 1976.6852 120.1197 -206639.3049 17932.0762 0.0000 0.0000 34458.2483 -149378.0979 300.9325 -183836.3462 -149281.0338 298.8242 28.0279 57.7809 556535.9255 4.7125 4.6897 PRESSURE: 131200 196.555 -150.527 -21.8131 -150.527 -2.03434 -12.4577 -21.8141 -12.4573 295.196 GPRESSURE: 131200 226.655 -40.9701 -20.7984 -94.2305 23.7675 -13.0154 -69.7506 -53.1966 343.448 PRESSAVG: 131200 24.9015 6.59437 -83.5888 6.59444 -54.7577 66.3424 -83.5887 66.3424 43.6199 GPRESSAVG: 131200 23.6717 7.57995 -83.4836 7.29778 -54.493 64.6832 -83.3317 63.641 44.8731 TIMING: 131200 CPU: 391.669, 0.00299255/step Wall: 391.669, 0.00299255/step, 4.04726 hours remaining, 205.792969 MB of memory in use. ENERGY: 131200 729.7158 2070.0026 1959.3705 113.0996 -206651.3976 18086.2756 0.0000 0.0000 34235.7255 -149457.2080 298.9891 -183692.9335 -149360.8837 298.5223 163.2387 197.9569 555956.8525 4.5879 4.6839 PRESSURE: 131400 101.236 -11.0859 -99.4062 -11.0867 -147.212 89.3434 -99.4065 89.3448 -262.605 GPRESSURE: 131400 80.7102 -30.5133 -109.277 -1.90063 -84.4105 57.8205 -108.054 112.592 -203.097 PRESSAVG: 131400 33.6313 11.5389 -8.28199 11.539 -65.8426 40.9651 -8.28199 40.965 43.6493 GPRESSAVG: 131400 32.9124 9.44897 -5.4558 13.4413 -65.4522 41.9709 -10.9747 39.5841 44.0133 TIMING: 131400 CPU: 392.266, 0.00298406/step Wall: 392.266, 0.00298406/step, 4.03561 hours remaining, 205.792969 MB of memory in use. ENERGY: 131400 738.5754 2074.9620 1945.8250 113.9745 -206610.2501 17904.3336 0.0000 0.0000 34299.6032 -149532.9764 299.5470 -183832.5796 -149434.0177 298.7411 -102.8605 -68.9325 557433.9352 3.8127 3.8245 PRESSURE: 131600 -508.812 58.5731 39.467 58.5739 -170.565 15.1715 39.468 15.1698 -244.91 GPRESSURE: 131600 -419.014 68.3079 -98.1934 50.072 -167.535 -10.1728 38.7699 81.8125 -250.273 PRESSAVG: 131600 -11.7244 -2.29534 23.4731 -2.29536 -26.8398 37.4102 23.4731 37.4101 41.7028 GPRESSAVG: 131600 -10.3667 -1.49344 20.9084 -2.29735 -28.054 37.8064 24.9649 39.1015 41.3828 TIMING: 131600 CPU: 392.861, 0.00297495/step Wall: 392.861, 0.00297495/step, 4.02312 hours remaining, 205.792969 MB of memory in use. ENERGY: 131600 751.4000 2115.1931 1970.6616 107.5693 -206252.9497 17492.2959 0.0000 0.0000 34268.8425 -149546.9872 299.2783 -183815.8298 -149444.5152 299.0196 -308.0958 -278.9405 558305.6236 1.0462 0.9873 PRESSURE: 131800 -137.372 13.8979 46.6906 13.8978 -250.746 -168.391 46.6908 -168.391 149.969 GPRESSURE: 131800 -150.017 13.1563 110.851 -67.0645 -186.891 -139.335 56.4559 -106.823 201.25 PRESSAVG: 131800 -22.476 25.3489 -19.7823 25.3489 -29.132 8.60334 -19.7823 8.60333 16.4222 GPRESSAVG: 131800 -24.0231 25.3186 -20.6274 25.8859 -27.2565 5.83215 -19.9428 9.1814 15.767 TIMING: 131800 CPU: 393.455, 0.00296995/step Wall: 393.455, 0.00296995/step, 4.01619 hours remaining, 205.792969 MB of memory in use. ENERGY: 131800 740.2725 2045.8920 1966.7929 105.9345 -206068.8389 17638.9851 0.0000 0.0000 34061.2942 -149509.6677 297.4658 -183570.9619 -149411.0095 298.7317 -79.3830 -45.2190 557523.0317 -11.7286 -11.8376 PRESSURE: 132000 -53.9817 -12.3411 -10.461 -12.342 63.9572 -55.4741 -10.461 -55.474 -333.476 GPRESSURE: 132000 -62.9007 44.3159 -81.9548 -50.0335 73.1704 -44.8751 1.40549 -101.45 -248.146 PRESSAVG: 132000 -81.6779 8.89089 5.24236 8.89083 3.49515 -55.1 5.24233 -55.0999 100.521 GPRESSAVG: 132000 -80.4291 8.90792 6.34436 7.1807 2.28591 -53.0656 6.58745 -54.801 101.02 TIMING: 132000 CPU: 394.046, 0.00295642/step Wall: 394.046, 0.00295642/step, 3.99774 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: 132000 711.4365 2080.2990 1966.1028 111.8201 -206314.6342 17664.6313 0.0000 0.0000 34192.7319 -149587.6127 298.6136 -183780.3446 -149505.6052 298.7669 -107.8336 -79.2920 556001.3527 7.4461 7.6257 PRESSURE: 132200 -78.9755 -10.7809 -18.2414 -10.7817 66.4853 203.476 -18.2418 203.477 -102.489 GPRESSURE: 132200 -78.6175 -62.3618 20.2035 -7.91757 67.9098 202.042 -67.5599 282.836 -2.89623 PRESSAVG: 132200 -32.2022 -7.58229 24.2939 -7.58227 20.7669 9.16741 24.2939 9.16752 25.4197 GPRESSAVG: 132200 -33.2389 -6.89267 23.6774 -7.02813 20.6824 8.17965 22.5198 9.72086 26.1504 TIMING: 132200 CPU: 394.643, 0.00298361/step Wall: 394.643, 0.00298361/step, 4.03434 hours remaining, 205.792969 MB of memory in use. ENERGY: 132200 720.1795 2105.4253 1952.3952 110.6536 -206284.9657 17761.7671 0.0000 0.0000 34126.6374 -149507.9076 298.0364 -183634.5450 -149408.9867 298.4589 -38.3265 -4.5347 556624.5968 4.6614 4.5313 LDB: ============= START OF LOAD BALANCING ============== 398.162 LDB: ============== END OF LOAD BALANCING =============== 398.162 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 398.163 LDB: ============= START OF LOAD BALANCING ============== 398.466 LDB: Largest compute 4773 load 0.029496 is 25.0% of average load 0.117764 LDB: Average compute 0.001738 is 1.5% of average load 0.117764 LDB: TIME 398.468 LOAD: AVG 0.117764 MAX 0.211437 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.227 MB LDB: TIME 398.468 LOAD: AVG 0.117764 MAX 0.211437 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.227 MB LDB: TIME 398.468 LOAD: AVG 0.117764 MAX 0.211437 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.227 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 398.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 398.474 PRESSURE: 132400 -151.306 101.935 9.0897 101.934 201.496 -114.711 9.09012 -114.711 239.561 GPRESSURE: 132400 -145.286 125.303 -29.4506 11.1183 237.449 -84.3927 -10.4765 -146.813 287.678 PRESSAVG: 132400 -38.1824 19.9292 21.0047 19.9292 -35.7155 54.4263 21.0048 54.4262 49.081 GPRESSAVG: 132400 -37.7534 19.8726 21.2176 18.3918 -34.9511 55.5181 21.2254 53.0128 46.8345 TIMING: 132400 CPU: 395.258, 0.00307331/step Wall: 395.258, 0.00307331/step, 4.15545 hours remaining, 203.281250 MB of memory in use. ENERGY: 132400 709.5213 2059.3024 1948.6964 105.9830 -206673.9327 18027.2689 0.0000 0.0000 34403.8327 -149419.3279 300.4572 -183823.1606 -149317.5101 298.6142 96.5837 126.6137 554988.2317 -8.2723 -8.6234 PRESSURE: 132600 -109.102 -71.0112 74.5251 -71.0115 -417.511 63.1864 74.5251 63.187 -255.988 GPRESSURE: 132600 -129.952 -50.3607 57.6821 -120.923 -338.082 15.6249 45.2276 27.7802 -214.32 PRESSAVG: 132600 -75.5726 -41.3421 -16.7136 -41.3421 -54.2109 -3.5124 -16.7136 -3.51229 129.607 GPRESSAVG: 132600 -76.3565 -40.9414 -16.4744 -40.2896 -54.5667 -7.20244 -16.6695 -0.766479 130.487 TIMING: 132600 CPU: 395.857, 0.00299733/step Wall: 395.857, 0.00299733/step, 4.05256 hours remaining, 203.292969 MB of memory in use. ENERGY: 132600 754.5160 2003.6977 1942.2342 106.5878 -205997.7895 17473.7103 0.0000 0.0000 34407.6131 -149309.4305 300.4902 -183717.0436 -149204.9290 299.2975 -260.8671 -227.4512 556972.2970 -0.0587 -0.1455 PRESSURE: 132800 83.4715 -150.731 -124.571 -150.73 -93.3516 -68.1299 -124.571 -68.1287 57.6654 GPRESSURE: 132800 62.0691 -140.789 -161.696 -188.781 -57.2747 -78.7805 -99.9267 -73.1531 143.638 PRESSAVG: 132800 -2.35333 -2.88027 -72.6983 -2.88017 -56.9716 -4.55691 -72.6984 -4.55692 49.0564 GPRESSAVG: 132800 -2.10246 -2.02673 -71.601 -2.86499 -58.1232 -3.28786 -73.0762 -6.128 49.5768 TIMING: 132800 CPU: 396.461, 0.00302054/step Wall: 396.461, 0.00302054/step, 4.08377 hours remaining, 203.292969 MB of memory in use. ENERGY: 132800 735.4158 2064.1765 1965.8672 117.7971 -206420.0857 17901.3531 0.0000 0.0000 34234.2270 -149401.2491 298.9760 -183635.4761 -149309.4881 299.0562 15.9285 49.4776 556611.9548 -3.4229 -3.5496 PRESSURE: 133000 23.0559 -69.4792 27.6204 -69.4784 -179.115 -44.3992 27.6212 -44.3995 -33.0621 GPRESSURE: 133000 104.283 -146.953 -15.5726 -51.1463 -148.614 -2.27005 7.78 25.9265 -50.0319 PRESSAVG: 133000 42.6279 2.84246 13.5029 2.84246 -62.7595 39.2298 13.5029 39.2298 9.07553 GPRESSAVG: 133000 42.6945 1.12497 12.3132 0.567321 -62.7455 40.2198 15.5922 37.1287 8.87489 TIMING: 133000 CPU: 397.061, 0.00299801/step Wall: 397.061, 0.00299801/step, 4.05314 hours remaining, 203.351562 MB of memory in use. ENERGY: 133000 747.9174 2109.1433 1945.4167 107.2167 -205861.2026 17587.5363 0.0000 0.0000 34245.5428 -149118.4295 299.0748 -183363.9723 -149024.1534 299.0456 -63.0403 -31.4542 557584.3894 -3.6854 -3.7254 PRESSURE: 133200 -252.574 -129.243 -174.303 -129.242 -145.801 -35.9908 -174.303 -35.9909 100.065 GPRESSURE: 133200 -226.749 -166.722 -237.929 -85.3553 -113.462 -65.4991 -145.848 -25.53 125.32 PRESSAVG: 133200 38.514 -22.0471 -28.1682 -22.047 -44.4663 3.0959 -28.1682 3.09601 24.9252 GPRESSAVG: 133200 40.129 -19.9712 -28.2627 -20.7354 -44.2282 1.77103 -28.5802 4.19456 23.6551 TIMING: 133200 CPU: 397.662, 0.00300551/step Wall: 397.662, 0.00300551/step, 4.06312 hours remaining, 203.351562 MB of memory in use. ENERGY: 133200 735.5557 2069.1999 1935.5385 114.4888 -206200.8348 17813.9429 0.0000 0.0000 34154.9722 -149377.1369 298.2839 -183532.1091 -149276.0202 299.1368 -99.4366 -71.6304 559107.1831 6.3243 6.5186 PRESSURE: 133400 218.624 -18.927 189.783 -18.9275 6.61031 -174.951 189.782 -174.951 46.9539 GPRESSURE: 133400 227.898 -12.8687 179.236 -59.5024 78.8883 -165.186 204.617 -167.796 62.6122 PRESSAVG: 133400 19.2081 -33.4429 7.06273 -33.4429 -31.3947 -28.8427 7.06262 -28.8427 -11.9284 GPRESSAVG: 133400 17.2454 -35.3183 10.0087 -32.8747 -30.8263 -27.3076 4.64142 -28.9348 -10.6562 TIMING: 133400 CPU: 398.262, 0.00299979/step Wall: 398.262, 0.00299979/step, 4.05522 hours remaining, 203.351562 MB of memory in use. ENERGY: 133400 742.4942 2101.1519 1945.2910 109.4198 -206621.4672 18176.6739 0.0000 0.0000 34137.8791 -149408.5573 298.1346 -183546.4364 -149318.1426 298.5614 90.7293 123.1330 558315.5229 -8.0383 -8.0790 PRESSURE: 133600 -8.55619 111.926 -82.1925 111.926 137.293 32.0287 -82.1937 32.0305 65.8466 GPRESSURE: 133600 48.4295 133.259 -185.695 134.88 140.657 108.573 61.8299 49.4033 112.533 PRESSAVG: 133600 60.8322 5.99961 -3.3313 5.99972 -59.2489 -11.2063 -3.33138 -11.2062 29.7336 GPRESSAVG: 133600 60.7581 7.17355 -5.76361 5.6307 -60.0339 -11.195 -1.05131 -11.0352 30.407 TIMING: 133600 CPU: 398.86, 0.0029885/step Wall: 398.86, 0.0029885/step, 4.03978 hours remaining, 203.351562 MB of memory in use. ENERGY: 133600 770.4660 2058.9072 1958.9041 122.5741 -207083.9148 18243.2991 0.0000 0.0000 34386.0935 -149543.6709 300.3023 -183929.7644 -149446.7770 298.2913 64.8611 100.5398 558460.6633 10.4389 10.3771 PRESSURE: 133800 -49.6943 -58.6331 -94.3867 -58.6332 40.8229 -49.3909 -94.3861 -49.3908 42.219 GPRESSURE: 133800 17.325 -11.8896 -109.535 -168.469 15.1326 -14.6862 -113.153 -117.003 92.8773 PRESSAVG: 133800 -15.9406 -6.40919 -5.07864 -6.40916 20.3516 67.4451 -5.07861 67.445 1.97024 GPRESSAVG: 133800 -14.7712 -6.11898 -6.49762 -5.53514 19.7997 66.1008 -4.78593 67.586 1.26249 TIMING: 133800 CPU: 399.461, 0.0030064/step Wall: 399.461, 0.0030064/step, 4.06382 hours remaining, 203.351562 MB of memory in use. ENERGY: 133800 744.2978 2093.2981 1954.7461 111.5160 -206426.7081 17898.9406 0.0000 0.0000 34229.8993 -149394.0101 298.9382 -183623.9094 -149301.2532 299.0651 11.1159 41.7783 558715.9357 2.1271 2.0970 PRESSURE: 134000 340.078 -111.028 -156.679 -111.028 -22.3567 31.6564 -156.68 31.6569 281.693 GPRESSURE: 134000 346.87 -54.5386 -116.508 -157.959 37.4562 6.27467 -123.898 50.6178 317.596 PRESSAVG: 134000 -0.910192 -21.2699 9.78851 -21.27 21.9249 49.7325 9.78862 49.7326 -15.2613 GPRESSAVG: 134000 -1.8341 -20.5115 11.4648 -21.6441 22.2067 50.374 9.21926 50.2373 -15.0451 TIMING: 134000 CPU: 400.062, 0.00300759/step Wall: 400.062, 0.00300759/step, 4.06525 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: 134000 751.1965 2087.5508 1977.5050 106.2337 -206872.0046 18249.4161 0.0000 0.0000 34201.3755 -149498.7270 298.6891 -183700.1024 -149411.8241 298.9112 199.8046 233.9740 557873.2555 1.9178 1.7758 PRESSURE: 134200 -35.3775 -137.18 -66.696 -137.179 226.6 -61.7328 -66.6962 -61.7353 -85.4329 GPRESSURE: 134200 -26.1257 -102.226 -24.2736 -113.99 258.611 -91.6283 -51.5373 -19.6893 -29.7396 PRESSAVG: 134200 -71.7015 5.76583 -10.3337 5.76578 9.11946 61.0315 -10.3337 61.0316 56.8909 GPRESSAVG: 134200 -71.8537 5.25546 -8.78442 5.17149 8.21354 60.1031 -13.041 60.4213 57.802 TIMING: 134200 CPU: 400.665, 0.00301386/step Wall: 400.665, 0.00301386/step, 4.07356 hours remaining, 203.351562 MB of memory in use. ENERGY: 134200 722.6484 2082.7472 1959.2784 122.9871 -206351.8563 17880.8887 0.0000 0.0000 34028.1128 -149555.1939 297.1760 -183583.3066 -149456.4861 297.9505 35.2631 67.5821 557986.4453 -1.8971 -1.9461 PRESSURE: 134400 -15.2971 19.68 -0.268196 19.6801 -180.214 -170.211 -0.26731 -170.213 -97.9079 GPRESSURE: 134400 0.86715 -70.0964 -47.264 52.9664 -114.151 -135.469 -7.33597 -118.465 -82.0849 PRESSAVG: 134400 -27.6637 -23.348 4.36978 -23.348 36.8352 -28.8285 4.36982 -28.8284 -9.63701 GPRESSAVG: 134400 -28.2168 -24.6261 2.44189 -22.3184 38.0449 -27.3098 5.50163 -28.1973 -10.0244 TIMING: 134400 CPU: 401.265, 0.00299982/step Wall: 401.265, 0.00299982/step, 4.05442 hours remaining, 203.351562 MB of memory in use. ENERGY: 134400 716.2524 2066.2701 1930.7458 123.6805 -206339.9283 17892.4080 0.0000 0.0000 34071.2165 -149539.3549 297.5524 -183610.5714 -149440.6288 298.2523 -97.8062 -65.1230 557945.1607 -0.1552 -0.0654 PRESSURE: 134600 117.048 49.0125 -5.94409 49.0124 -116.994 -64.9364 -5.94484 -64.9361 -276.018 GPRESSURE: 134600 129.431 37.2952 -127.906 85.2613 -82.998 30.4628 -5.77096 -77.2057 -221.423 PRESSAVG: 134600 -6.3237 -2.34348 70.329 -2.34339 -43.6995 -3.52034 70.3291 -3.52039 67.3221 GPRESSAVG: 134600 -5.86292 -1.26904 71.0087 -2.15904 -43.5487 -4.32054 68.9134 -2.17077 67.2471 TIMING: 134600 CPU: 401.86, 0.0029755/step Wall: 401.86, 0.0029755/step, 4.02138 hours remaining, 203.351562 MB of memory in use. ENERGY: 134600 743.7002 2104.4270 1978.4415 107.2072 -206657.4369 17954.9748 0.0000 0.0000 34249.4293 -149519.2568 299.1088 -183768.6861 -149420.6253 298.2250 -91.9883 -58.3300 557678.6726 5.7663 5.9452 PRESSURE: 134800 175.088 -3.33201 49.976 -3.3332 45.5911 48.7899 49.977 48.791 155.192 GPRESSURE: 134800 214.117 20.5613 -6.47348 -38.6616 67.6091 104.286 -9.95506 55.7757 186.159 PRESSAVG: 134800 -4.20122 35.7982 -34.563 35.7982 18.271 -0.06337 -34.5631 -0.063185 -13.0483 GPRESSAVG: 134800 -3.3867 35.9145 -34.4211 34.3001 18.3919 -1.41205 -34.1375 -1.71654 -13.6985 TIMING: 134800 CPU: 402.458, 0.00298966/step Wall: 402.458, 0.00298966/step, 4.04035 hours remaining, 203.351562 MB of memory in use. ENERGY: 134800 752.9408 2045.1420 1933.4613 110.8850 -206801.3588 17984.6184 0.0000 0.0000 34318.4467 -149655.8645 299.7115 -183974.3113 -149562.0550 298.7353 125.2903 155.9616 555293.5264 0.3405 0.4356 PRESSURE: 135000 -125.438 73.4157 -54.2872 73.4154 38.5775 -66.4938 -54.2884 -66.4936 -39.1016 GPRESSURE: 135000 -72.2414 26.3356 -113.712 102.738 17.9819 -73.6984 24.5159 -47.2759 28.9293 PRESSAVG: 135000 -27.787 39.003 1.52849 39.0031 54.6359 -13.0995 1.5285 -13.0995 -32.5312 GPRESSAVG: 135000 -27.0522 36.9618 0.610541 41.0606 53.0379 -10.3847 2.20999 -13.3261 -31.4702 TIMING: 135000 CPU: 403.056, 0.00298871/step Wall: 403.056, 0.00298871/step, 4.03891 hours remaining, 203.351562 MB of memory in use. ENERGY: 135000 789.2588 2088.8288 1939.6892 107.4482 -206342.3152 17799.4521 0.0000 0.0000 34007.1755 -149610.4625 296.9931 -183617.6380 -149530.1186 297.8343 -41.9874 -8.4434 556832.7912 -1.8941 -1.8282 PRESSURE: 135200 -54.3299 266.4 -18.5709 266.4 -333.642 1.95902 -18.5705 1.95802 -28.2652 GPRESSURE: 135200 -35.4437 248.066 32.7012 234.912 -266.672 7.75575 -87.5612 -32.6054 -7.46513 PRESSAVG: 135200 27.5992 31.3455 -39.4934 31.3453 23.5777 -28.856 -39.4934 -28.856 -33.0131 GPRESSAVG: 135200 26.7078 31.731 -39.3877 28.8008 25.3021 -28.9854 -38.4363 -29.3804 -33.3908 TIMING: 135200 CPU: 403.654, 0.00299217/step Wall: 403.654, 0.00299217/step, 4.04342 hours remaining, 203.417969 MB of memory in use. ENERGY: 135200 737.6977 2081.1028 1933.3514 106.7805 -206085.6020 17584.5308 0.0000 0.0000 34004.9290 -149637.2098 296.9735 -183642.1388 -149541.1617 297.4546 -138.7457 -103.1936 556123.2299 6.0546 6.2064 PRESSURE: 135400 -136.487 -63.4733 87.3442 -63.475 58.4676 27.2442 87.3445 27.2439 -90.0424 GPRESSURE: 135400 -28.8983 -49.3438 95.6837 -104.258 41.8454 25.9292 115.975 77.2883 -89.854 PRESSAVG: 135400 28.2981 5.00347 -38.5785 5.00351 -69.7037 -8.47383 -38.5785 -8.47394 19.3682 GPRESSAVG: 135400 27.4339 5.26471 -39.9646 7.0977 -68.1927 -8.42774 -38.7771 -8.5176 18.3102 TIMING: 135400 CPU: 404.25, 0.00297872/step Wall: 404.25, 0.00297872/step, 4.02508 hours remaining, 203.417969 MB of memory in use. ENERGY: 135400 729.9434 2040.8095 1952.7495 108.6734 -206310.3773 17624.4217 0.0000 0.0000 34276.9027 -149576.8771 299.3487 -183853.7798 -149474.1196 297.9566 -56.0207 -25.6356 555738.1367 -7.3458 -7.4829 PRESSURE: 135600 352.087 -64.0341 -173.033 -64.0347 -14.1833 -27.7054 -173.034 -27.706 4.7016 GPRESSURE: 135600 365.44 -62.1491 -179.875 -12.0391 34.7123 26.5351 -162.96 -44.1562 24.8874 PRESSAVG: 135600 30.7086 0.993095 3.60205 0.993106 -34.2585 22.3232 3.60209 22.3231 30.7636 GPRESSAVG: 135600 31.7013 1.83227 6.4161 1.14538 -36.47 21.8556 1.76548 22.6 31.7909 TIMING: 135600 CPU: 404.849, 0.00299366/step Wall: 404.849, 0.00299366/step, 4.0451 hours remaining, 203.417969 MB of memory in use. ENERGY: 135600 741.1599 2014.6323 1923.7330 111.0325 -206618.5116 17973.2887 0.0000 0.0000 34389.6162 -149465.0489 300.3331 -183854.6651 -149366.4845 298.4141 114.2017 141.6799 554946.2931 9.0712 9.0074 PRESSURE: 135800 -238.991 -32.5115 16.4057 -32.5131 228.668 -134.416 16.4047 -134.416 30.8521 GPRESSURE: 135800 -212.658 59.5762 -100.98 -68.5577 254.379 -56.2189 -16.433 -237.701 81.8697 PRESSAVG: 135800 6.49526 -7.21542 -0.618428 -7.21547 24.4851 39.5564 -0.618404 39.5564 -77.2201 GPRESSAVG: 135800 5.18711 -8.40705 -3.46716 -7.82579 26.4236 38.6127 0.621987 40.2229 -77.1365 TIMING: 135800 CPU: 405.44, 0.0029578/step Wall: 405.44, 0.0029578/step, 3.99649 hours remaining, 203.417969 MB of memory in use. ENERGY: 135800 715.6678 2134.9340 1939.2188 119.2773 -206415.2715 17764.6173 0.0000 0.0000 34172.7929 -149568.7635 298.4395 -183741.5564 -149474.0769 298.7982 6.8429 41.1967 557013.2478 -15.4133 -15.1753 PRESSURE: 136000 3.25316 60.1641 104.254 60.1642 -103.603 102.197 104.254 102.197 -78.08 GPRESSURE: 136000 3.79995 76.9567 66.6044 -24.4532 -90.0552 68.2157 104.219 167.672 8.79069 PRESSAVG: 136000 -38.9016 -22.2394 -19.1157 -22.2394 -20.6386 -21.8428 -19.1156 -21.8428 30.7614 GPRESSAVG: 136000 -38.2396 -21.3276 -18.8474 -23.7461 -21.299 -20.4644 -19.3108 -21.9067 30.8953 TIMING: 136000 CPU: 406.032, 0.00295857/step Wall: 406.032, 0.00295857/step, 3.99735 hours remaining, 203.417969 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: 136000 745.8339 2079.8323 1953.6931 109.4355 -206522.0316 17844.3193 0.0000 0.0000 34358.5641 -149430.3533 300.0619 -183788.9174 -149333.2284 297.8975 -59.4766 -25.8215 556023.0447 -9.5930 -9.5478 PRESSURE: 136200 -45.3552 -54.7668 -109.899 -54.7673 95.2463 78.102 -109.9 78.1058 -37.5902 GPRESSURE: 136200 77.4205 39.375 -128.332 -29.0677 39.7966 148.71 -58.0862 21.5077 -1.26838 PRESSAVG: 136200 -62.6014 -48.0983 -5.42115 -48.0984 24.6163 14.9107 -5.42111 14.9108 6.14449 GPRESSAVG: 136200 -60.9092 -46.8978 -6.16329 -47.1724 23.9301 14.5142 -4.76527 13.7484 5.88707 TIMING: 136200 CPU: 406.628, 0.00298183/step Wall: 406.628, 0.00298183/step, 4.02861 hours remaining, 203.417969 MB of memory in use. ENERGY: 136200 712.4616 2141.2167 1942.8022 125.8931 -206331.5892 17909.0376 0.0000 0.0000 34034.5397 -149465.6383 297.2321 -183500.1780 -149365.7629 298.9437 4.1003 38.6496 557109.0466 -10.6135 -10.3640 LDB: ============= START OF LOAD BALANCING ============== 410.144 LDB: ============== END OF LOAD BALANCING =============== 410.144 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 410.146 LDB: ============= START OF LOAD BALANCING ============== 410.445 LDB: Largest compute 4773 load 0.030518 is 25.9% of average load 0.117881 LDB: Average compute 0.001738 is 1.5% of average load 0.117881 LDB: TIME 410.447 LOAD: AVG 0.117881 MAX 0.210749 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.348 MB LDB: TIME 410.448 LOAD: AVG 0.117881 MAX 0.210749 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.551 MB LDB: TIME 410.448 LOAD: AVG 0.117881 MAX 0.210749 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.551 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 410.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 410.454 PRESSURE: 136400 -98.9165 -108.142 -15.9769 -108.144 -101.392 -128.756 -15.9765 -128.757 -129.638 GPRESSURE: 136400 -58.7692 -136.325 -29.9957 -51.4909 -98.6501 -114.749 -66.0547 -188.781 -85.8867 PRESSAVG: 136400 -42.43 19.003 -12.0517 19.0029 63.834 -40.9473 -12.0517 -40.9475 -62.4473 GPRESSAVG: 136400 -42.4792 17.031 -11.3691 20.5394 64.429 -41.9546 -12.4607 -40.8917 -63.1506 TIMING: 136400 CPU: 407.238, 0.00304637/step Wall: 407.238, 0.00304637/step, 4.11564 hours remaining, 204.257812 MB of memory in use. ENERGY: 136400 762.0368 2020.5598 1960.2130 110.1996 -206485.4494 17858.0957 0.0000 0.0000 34234.5107 -149539.8337 298.9785 -183774.3445 -149438.8782 298.3449 -109.9821 -81.1020 559319.9848 -13.6811 -13.7336 PRESSURE: 136600 -231.898 -129.725 -58.1861 -129.725 49.0148 -88.745 -58.1864 -88.7449 -201.493 GPRESSURE: 136600 -196.943 -33.4956 -81.2441 -138.557 103.892 -53.577 -17.9896 -216.704 -190.398 PRESSAVG: 136600 26.391 29.8349 14.3453 29.8349 -14.5645 -19.5749 14.3453 -19.5748 -6.77071 GPRESSAVG: 136600 26.5926 30.085 14.4151 28.7761 -14.3268 -18.1478 15.568 -19.7062 -6.8941 TIMING: 136600 CPU: 407.838, 0.00300237/step Wall: 407.838, 0.00300237/step, 4.05603 hours remaining, 204.328125 MB of memory in use. ENERGY: 136600 752.6456 2102.5338 1961.2358 123.1623 -206076.9886 17550.7743 0.0000 0.0000 34059.4336 -149527.2033 297.4495 -183586.6369 -149441.7736 297.7998 -128.1253 -94.4832 557042.7978 1.6852 1.7906 PRESSURE: 136800 28.8107 61.4409 101.561 61.4396 107.338 171.463 101.56 171.462 27.9579 GPRESSURE: 136800 62.4409 75.7246 92.4604 -32.8305 106.99 200.999 113.993 105.126 90.1571 PRESSAVG: 136800 -14.2575 9.26154 48.3969 9.26145 11.3681 -58.4819 48.3968 -58.4819 -19.9198 GPRESSAVG: 136800 -14.6584 9.97036 49.0219 8.86966 10.3938 -59.5646 48.2112 -57.9166 -18.3597 TIMING: 136800 CPU: 408.442, 0.00301676/step Wall: 408.442, 0.00301676/step, 4.07531 hours remaining, 204.328125 MB of memory in use. ENERGY: 136800 704.6174 2097.9131 1929.0225 111.0345 -206315.7420 17863.2910 0.0000 0.0000 34192.1085 -149417.7550 298.6082 -183609.8635 -149329.0868 298.8647 54.7021 86.5292 555371.2525 -7.6031 -7.5414 PRESSURE: 137000 -58.7576 -53.9422 -212.896 -53.942 -188.061 -113.68 -212.897 -113.679 141.851 GPRESSURE: 137000 -110.543 -100.543 -186.559 -50.0361 -104.081 -90.7017 -177.9 -137.839 212.18 PRESSAVG: 137000 59.7257 11.312 -29.8433 11.312 -41.6266 -20.7163 -29.8433 -20.7163 -13.0595 GPRESSAVG: 137000 59.1775 9.18001 -28.875 11.4835 -40.1565 -21.3464 -31.0855 -20.7234 -13.6069 TIMING: 137000 CPU: 409.041, 0.00299765/step Wall: 409.041, 0.00299765/step, 4.04933 hours remaining, 204.328125 MB of memory in use. ENERGY: 137000 763.2024 2103.6837 1926.7108 121.6578 -206529.3580 17844.8767 0.0000 0.0000 34412.4145 -149356.8122 300.5322 -183769.2267 -149263.0003 299.3668 -34.9891 -0.8145 557684.5536 1.6798 1.8047 PRESSURE: 137200 77.869 68.7279 74.653 68.7271 16.6679 82.8452 74.6532 82.8468 105.913 GPRESSURE: 137200 98.0474 17.5794 186.841 86.2079 73.2145 60.847 -75.7954 118.105 122.505 PRESSAVG: 137200 -21.694 12.1334 -19.319 12.1335 -63.9814 20.6194 -19.319 20.6194 49.0318 GPRESSAVG: 137200 -21.9486 13.8977 -22.2022 11.2336 -63.7049 20.303 -16.618 20.5957 48.9814 TIMING: 137200 CPU: 409.636, 0.00297571/step Wall: 409.636, 0.00297571/step, 4.01952 hours remaining, 204.328125 MB of memory in use. ENERGY: 137200 725.7638 2014.5486 1949.5298 111.7809 -206497.9599 17881.2205 0.0000 0.0000 34419.0683 -149396.0480 300.5903 -183815.1163 -149301.2056 299.1184 66.8168 97.9223 556146.9643 -12.2145 -12.2240 PRESSURE: 137400 -63.9949 16.1044 42.1313 16.1046 37.654 -61.7563 42.1305 -61.7562 -0.462614 GPRESSURE: 137400 -75.8328 0.440143 -59.3184 -11.9578 50.6131 -36.6734 95.9447 -49.2902 90.8864 PRESSAVG: 137400 -16.7578 -2.64551 28.2941 -2.64556 3.76847 1.07295 28.2941 1.07293 30.858 GPRESSAVG: 137400 -16.3329 -2.64009 30.4005 -1.06895 2.62493 1.32556 26.9156 1.34538 31.3453 TIMING: 137400 CPU: 410.239, 0.00301222/step Wall: 410.239, 0.00301222/step, 4.06868 hours remaining, 204.328125 MB of memory in use. ENERGY: 137400 746.0317 2093.3121 1934.6794 117.8791 -206184.7387 17851.4585 0.0000 0.0000 34131.0728 -149310.3051 298.0751 -183441.3779 -149204.0572 298.6826 -8.9345 21.8889 558820.0023 5.9562 5.8791 PRESSURE: 137600 -192.434 -42.0476 32.2756 -42.0475 -132.513 119.802 32.2754 119.802 -405.876 GPRESSURE: 137600 -139.134 4.1386 -24.4078 13.146 -114.934 166.883 45.4649 82.9278 -372.911 PRESSAVG: 137600 -9.49636 -8.99472 -20.2863 -8.99477 22.005 14.747 -20.2863 14.747 -10.6845 GPRESSAVG: 137600 -9.331 -8.30485 -17.6134 -10.1411 21.2918 15.4322 -23.0965 14.6106 -10.4311 TIMING: 137600 CPU: 410.843, 0.00302138/step Wall: 410.843, 0.00302138/step, 4.08088 hours remaining, 204.328125 MB of memory in use. ENERGY: 137600 720.7640 2131.4893 1951.5149 100.2537 -205833.5754 17403.5678 0.0000 0.0000 34308.7999 -149217.1857 299.6273 -183525.9856 -149131.3620 298.6278 -243.6077 -208.9930 558341.1330 0.6080 0.5099 PRESSURE: 137800 -166.116 -142.885 107.357 -142.885 81.6673 78.0275 107.358 78.0276 -365.447 GPRESSURE: 137800 -141.396 -65.8451 57.2854 -226.822 125.233 3.39768 50.4868 117.529 -346.311 PRESSAVG: 137800 16.9657 -82.2423 -26.1871 -82.2424 -41.5504 -5.46212 -26.1873 -5.46213 -25.2514 GPRESSAVG: 137800 16.6259 -82.9626 -27.5595 -81.8403 -40.8944 -5.99545 -25.7717 -5.93139 -25.7085 TIMING: 137800 CPU: 411.444, 0.00300688/step Wall: 411.444, 0.00300688/step, 4.06112 hours remaining, 204.328125 MB of memory in use. ENERGY: 137800 788.0604 2094.1523 1933.6824 107.4889 -205936.3913 17681.8778 0.0000 0.0000 34101.5629 -149229.5666 297.8174 -183331.1295 -149129.0364 299.6334 -149.9653 -120.8246 558405.4599 -16.6120 -16.6590 PRESSURE: 138000 31.8028 43.142 -57.6559 43.1424 50.9456 -175.03 -57.6565 -175.031 208.434 GPRESSURE: 138000 56.9266 -29.8104 -69.229 85.4111 117.994 -134.102 -59.0351 -199.44 210.15 PRESSAVG: 138000 26.0294 -33.449 52.6935 -33.4491 -3.97362 -9.25828 52.6936 -9.25834 -27.9894 GPRESSAVG: 138000 25.2611 -32.737 52.6319 -35.1523 -2.49595 -10.0358 53.5341 -8.19399 -28.7881 TIMING: 138000 CPU: 412.044, 0.00299675/step Wall: 412.044, 0.00299675/step, 4.04728 hours remaining, 204.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 138000 745.9079 2037.9716 1956.5451 107.2182 -206137.1275 17929.5807 0.0000 0.0000 34188.3430 -149171.5609 298.5753 -183359.9040 -149075.7681 299.1329 97.0609 128.3568 556593.5460 -1.9779 -2.0076 PRESSURE: 138200 -124.292 140.136 10.7171 140.136 61.2351 94.3663 10.7169 94.3649 107.366 GPRESSURE: 138200 -19.6314 70.6551 18.4386 228.501 40.4033 125.401 -4.14982 90.2462 110.702 PRESSAVG: 138200 -58.4515 -4.06565 34.8014 -4.0657 54.2344 -16.7167 34.8014 -16.7167 5.8875 GPRESSAVG: 138200 -58.3444 -5.13008 35.3728 -1.95415 52.7433 -15.6062 34.3924 -18.2888 6.97841 TIMING: 138200 CPU: 412.645, 0.00300829/step Wall: 412.645, 0.00300829/step, 4.0627 hours remaining, 204.328125 MB of memory in use. ENERGY: 138200 728.8230 1992.7460 1968.1940 125.1467 -206054.3865 17866.3784 0.0000 0.0000 34279.7905 -149093.3078 299.3739 -183373.0983 -148997.4924 299.6202 14.7698 43.8246 558231.4164 0.5568 0.4591 PRESSURE: 138400 -106.819 38.5691 149.919 38.5691 -2.42686 31.5146 149.918 31.5152 -117.509 GPRESSURE: 138400 -40.2853 35.8639 146.832 28.5779 7.62711 77.6525 187.88 91.5045 -102.931 PRESSAVG: 138400 -42.2846 0.522456 -16.4874 0.522423 38.439 5.09339 -16.4874 5.09339 42.9189 GPRESSAVG: 138400 -40.7079 1.72097 -18.5653 0.304851 38.5613 4.24191 -15.9857 4.89145 41.6742 TIMING: 138400 CPU: 413.24, 0.00297487/step Wall: 413.24, 0.00297487/step, 4.0174 hours remaining, 204.328125 MB of memory in use. ENERGY: 138400 728.4903 2067.6564 1927.9543 102.3166 -205731.1615 17617.2402 0.0000 0.0000 34218.2279 -149069.2757 298.8363 -183287.5036 -148974.2317 299.4847 -75.5851 -45.1963 558790.8751 13.0244 13.1759 PRESSURE: 138600 207.537 109.447 -26.9049 109.448 -118.172 121.224 -26.9055 121.223 -85.9438 GPRESSURE: 138600 180.198 193.528 2.53113 44.8263 -83.3038 133.57 23.3514 85.9626 7.2717 PRESSAVG: 138600 -76.301 8.34507 11.2769 8.34517 -0.891457 -16.8255 11.2769 -16.8254 58.105 GPRESSAVG: 138600 -76.5108 8.27425 12.6403 7.94107 -1.70745 -14.2738 12.5766 -17.9396 58.9889 TIMING: 138600 CPU: 413.838, 0.00298763/step Wall: 413.838, 0.00298763/step, 4.03446 hours remaining, 204.328125 MB of memory in use. ENERGY: 138600 774.7151 2067.0255 1947.8184 111.7996 -206078.9012 17899.8233 0.0000 0.0000 34199.9772 -149077.7423 298.6769 -183277.7194 -148978.1019 299.0519 1.1404 34.7221 559047.2332 -6.3625 -6.4098 PRESSURE: 138800 3.55461 158.478 16.6226 158.474 -185.675 1.08259 16.6223 1.08094 -67.8389 GPRESSURE: 138800 34.1327 87.4697 -0.753721 177.788 -135.598 -80.1386 39.6356 90.0012 -48.9443 PRESSAVG: 138800 110.21 46.5713 -9.25013 46.5712 -46.5781 -35.8357 -9.25012 -35.8356 -31.9153 GPRESSAVG: 138800 110.061 47.7415 -9.46696 45.5813 -46.058 -38.4844 -10.9422 -35.8016 -32.7716 TIMING: 138800 CPU: 414.438, 0.00300137/step Wall: 414.438, 0.00300137/step, 4.05285 hours remaining, 204.328125 MB of memory in use. ENERGY: 138800 745.9035 2033.8960 1956.4306 116.7446 -205850.7482 17643.8028 0.0000 0.0000 34237.7469 -149116.2238 299.0068 -183353.9707 -149022.9067 299.6427 -83.3196 -50.1367 559099.5474 10.5721 10.4106 PRESSURE: 139000 -88.4303 -47.1338 -24.6689 -47.1345 30.7587 -162.32 -24.6685 -162.319 138.098 GPRESSURE: 139000 -58.1755 -70.9358 -18.1271 0.178079 34.2294 -106.035 -51.2107 -220.621 198.085 PRESSAVG: 139000 -1.51907 12.4233 19.3036 12.4233 62.1954 -52.8955 19.3037 -52.8957 -50.5668 GPRESSAVG: 139000 -1.68636 10.9926 18.0848 12.4463 61.3346 -50.0027 19.0613 -51.9375 -49.8109 TIMING: 139000 CPU: 415.038, 0.00299892/step Wall: 415.038, 0.00299892/step, 4.04937 hours remaining, 204.328125 MB of memory in use. ENERGY: 139000 751.3338 2068.5373 1973.9206 106.3113 -206312.9442 17985.5174 0.0000 0.0000 34394.5181 -149032.8055 300.3759 -183427.3237 -148942.1380 300.0554 26.8087 58.0462 557922.7764 3.3698 3.2791 PRESSURE: 139200 -280.4 -95.7527 111.849 -95.7521 -153.188 -59.9909 111.849 -59.9912 -221.601 GPRESSURE: 139200 -250.263 -57.9695 135.845 -140.39 -117.547 33.6337 144.474 -83.9639 -197.025 PRESSAVG: 139200 -13.2254 -26.2749 -30.3644 -26.275 -19.4109 -16.2543 -30.3645 -16.2543 64.4878 GPRESSAVG: 139200 -12.3285 -27.516 -29.5455 -25.1767 -19.1452 -16.112 -30.1022 -15.0159 63.5609 TIMING: 139200 CPU: 415.633, 0.00297505/step Wall: 415.633, 0.00297505/step, 4.01698 hours remaining, 204.328125 MB of memory in use. ENERGY: 139200 750.6866 2064.7793 1958.5740 109.6729 -205836.8733 17635.4977 0.0000 0.0000 34174.1669 -149143.4960 298.4515 -183317.6629 -149046.4778 299.6788 -218.3964 -188.2785 559325.5637 10.6172 10.6958 PRESSURE: 139400 273.895 -176.693 -203.949 -176.694 32.5469 42.9574 -203.949 42.9581 151.443 GPRESSURE: 139400 269.176 -184.14 -189.844 -117.09 63.5894 6.45754 -183.864 38.4008 227.747 PRESSAVG: 139400 13.9905 -15.9422 34.2746 -15.9422 -10.672 -34.7886 34.2746 -34.7886 -6.53804 GPRESSAVG: 139400 12.8249 -16.2122 35.5426 -15.4986 -10.0237 -36.2487 33.355 -36.9321 -6.34576 TIMING: 139400 CPU: 416.229, 0.00297937/step Wall: 416.229, 0.00297937/step, 4.02265 hours remaining, 204.328125 MB of memory in use. ENERGY: 139400 767.5400 2071.5527 1953.3474 106.8746 -206644.9992 18125.9381 0.0000 0.0000 34372.5268 -149247.2197 300.1838 -183619.7465 -149152.2112 298.7524 152.6285 186.8375 557635.4863 -1.0732 -1.1815 PRESSURE: 139600 -82.8174 5.55174 -11.9607 5.55025 127.493 -37.8513 -11.9604 -37.8501 223.9 GPRESSURE: 139600 -55.2224 -41.5039 -52.3502 15.5808 146.621 -35.764 -58.9055 -18.5997 270.985 PRESSAVG: 139600 36.9871 -14.5405 -19.2053 -14.5406 -38.7523 -33.988 -19.2053 -33.988 28.5316 GPRESSAVG: 139600 37.5698 -15.4714 -19.5052 -14.3081 -38.7506 -32.9665 -18.6325 -34.0937 27.7247 TIMING: 139600 CPU: 416.823, 0.0029716/step Wall: 416.823, 0.0029716/step, 4.01199 hours remaining, 204.328125 MB of memory in use. ENERGY: 139600 740.1316 2074.4667 1972.3574 105.8551 -206282.4869 17972.2196 0.0000 0.0000 34222.9680 -149194.4886 298.8777 -183417.4565 -149101.1315 298.9364 89.5252 120.7946 557269.4084 8.9221 8.8480 PRESSURE: 139800 -295.408 110.148 -147.865 110.149 -165.059 6.8441 -147.865 6.84399 -50.1106 GPRESSURE: 139800 -323.49 43.3037 -170.777 174.909 -103.704 63.7136 -58.4488 -15.6943 6.89447 PRESSAVG: 139800 35.2006 41.8107 -44.6701 41.8108 6.85795 -16.6554 -44.6702 -16.6555 -19.1759 GPRESSAVG: 139800 34.674 43.4516 -46.4714 40.3939 7.7533 -17.2709 -43.0649 -15.3701 -18.9462 TIMING: 139800 CPU: 417.42, 0.00298566/step Wall: 417.42, 0.00298566/step, 4.03081 hours remaining, 204.328125 MB of memory in use. ENERGY: 139800 776.2625 2112.6597 1926.1760 105.1204 -205750.7952 17510.9453 0.0000 0.0000 34177.0080 -149142.6233 298.4763 -183319.6313 -149046.1935 299.4480 -170.1925 -140.1000 557600.8812 7.6275 7.8270 PRESSURE: 140000 -266.273 -16.2566 22.9212 -16.2555 83.6203 78.7093 22.9206 78.708 92.2377 GPRESSURE: 140000 -235.544 -26.7647 -56.7193 -1.95368 153.354 101.952 72.7279 55.1741 93.8094 PRESSAVG: 140000 -11.0781 -33.226 -3.93305 -33.2261 -62.5904 -7.43462 -3.93307 -7.43461 64.1809 GPRESSAVG: 140000 -10.9244 -33.717 -1.44468 -33.9312 -63.1046 -6.96996 -5.68692 -8.24251 64.4065 TIMING: 140000 CPU: 418.02, 0.0029977/step Wall: 418.02, 0.0029977/step, 4.0469 hours remaining, 204.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 140000 784.6708 2124.5050 1933.2825 104.8908 -206234.3250 17845.3257 0.0000 0.0000 34374.4535 -149067.1969 300.2007 -183441.6503 -148967.8662 299.8997 -30.1382 3.8731 557483.8575 -3.1625 -3.2075 PRESSURE: 140200 -118.907 243.306 -80.5442 243.305 46.8484 -186.499 -80.5439 -186.499 -187.154 GPRESSURE: 140200 -73.7912 296.05 -76.1748 236.948 103.471 -106.988 -116.868 -162.211 -186.112 PRESSAVG: 140200 -32.6583 -5.74215 -31.5579 -5.74214 49.1146 24.9368 -31.558 24.9369 -35.2975 GPRESSAVG: 140200 -31.6857 -5.43044 -31.6774 -4.11666 49.4381 24.7481 -32.9133 25.2562 -36.2894 TIMING: 140200 CPU: 418.613, 0.0029688/step Wall: 418.613, 0.0029688/step, 4.00772 hours remaining, 204.328125 MB of memory in use. ENERGY: 140200 757.2456 2052.6342 1930.8245 117.5022 -206070.5590 17656.3801 0.0000 0.0000 34330.4521 -149225.5203 299.8164 -183555.9724 -149130.0931 299.4241 -86.4042 -52.1441 555988.2520 -6.2804 -6.1790 LDB: ============= START OF LOAD BALANCING ============== 422.129 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 422.129 LDB: =============== DONE WITH MIGRATION ================ 422.131 LDB: ============= START OF LOAD BALANCING ============== 422.43 LDB: Largest compute 4773 load 0.029919 is 25.4% of average load 0.117767 LDB: Average compute 0.001735 is 1.5% of average load 0.117767 LDB: TIME 422.432 LOAD: AVG 0.117767 MAX 0.209887 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.961 MB LDB: TIME 422.433 LOAD: AVG 0.117767 MAX 0.209887 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.965 MB LDB: TIME 422.433 LOAD: AVG 0.117767 MAX 0.209887 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.965 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 422.435 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 422.439 PRESSURE: 140400 79.0885 10.1264 -176.841 10.1271 181.47 32.3838 -176.842 32.3821 92.7878 GPRESSURE: 140400 136.484 116.964 -224.54 -18.158 206.685 3.0055 -206.511 14.448 90.3683 PRESSAVG: 140400 -64.6725 9.88113 -34.4143 9.88116 62.759 22.7229 -34.4144 22.7228 -57.8642 GPRESSAVG: 140400 -65.0675 11.0984 -35.1233 10.2907 62.8244 22.6705 -34.4389 21.1949 -57.6058 TIMING: 140400 CPU: 419.222, 0.00304385/step Wall: 419.222, 0.00304385/step, 4.10886 hours remaining, 204.273438 MB of memory in use. ENERGY: 140400 744.5914 2036.7415 1929.8691 103.2529 -206618.7545 17970.4783 0.0000 0.0000 34403.6535 -149430.1678 300.4557 -183833.8213 -149333.5865 299.1288 117.7820 144.5125 556098.1123 -19.9259 -19.9496 PRESSURE: 140600 -9.71108 -180.039 78.3387 -180.04 -110.007 107.469 78.3378 107.47 -205.619 GPRESSURE: 140600 66.2726 -180.804 78.568 -129.809 -128.392 118.098 94.6963 -8.61252 -163.446 PRESSAVG: 140600 -22.4938 17.6214 23.2144 17.6213 37.8742 0.673528 23.2143 0.673604 8.87444 GPRESSAVG: 140600 -23.7141 16.148 21.6317 16.1754 38.6022 2.04978 25.7388 1.57547 9.38244 TIMING: 140600 CPU: 419.822, 0.00299816/step Wall: 419.822, 0.00299816/step, 4.04702 hours remaining, 204.476562 MB of memory in use. ENERGY: 140600 754.9591 2143.9991 1954.3005 119.5366 -205975.8929 17511.1526 0.0000 0.0000 34244.5603 -149247.3848 299.0663 -183491.9450 -149148.0784 299.5348 -108.4458 -75.1887 556715.1478 8.0850 8.0902 PRESSURE: 140800 87.3855 -67.8652 41.2035 -67.8669 35.9941 -118.031 41.2036 -118.03 -74.9942 GPRESSURE: 140800 77.8339 -83.8083 48.3953 -93.9209 128.762 -92.1043 111.343 -93.9461 -59.7238 PRESSAVG: 140800 14.5495 -15.2381 11.9601 -15.2381 17.377 -13.7183 11.96 -13.7183 -33.5098 GPRESSAVG: 140800 14.4617 -16.0513 13.8192 -16.2511 18.1896 -13.0036 10.2431 -13.2493 -34.379 TIMING: 140800 CPU: 420.42, 0.00298891/step Wall: 420.42, 0.00298891/step, 4.03437 hours remaining, 204.476562 MB of memory in use. ENERGY: 140800 727.2621 2049.7297 1934.9355 115.9652 -206091.9791 17765.6139 0.0000 0.0000 34117.0664 -149381.4061 297.9528 -183498.4726 -149280.3743 299.0224 16.1285 48.9575 556362.4644 -0.5278 -0.5759 PRESSURE: 141000 10.3339 -88.1671 -152.19 -88.1672 189.769 -8.31553 -152.19 -8.31539 8.87077 GPRESSURE: 141000 -5.17392 -117.285 -136.582 -81.2706 238.959 -26.7648 -121.172 -63.0765 79.3024 PRESSAVG: 141000 -58.1704 -45.79 66.9535 -45.79 -9.92033 -41.7062 66.9535 -41.7063 51.2817 GPRESSAVG: 141000 -57.1266 -43.7772 66.1051 -46.1058 -12.2577 -41.8522 67.2784 -41.5345 52.8847 TIMING: 141000 CPU: 421.017, 0.00298652/step Wall: 421.017, 0.00298652/step, 4.03098 hours remaining, 204.476562 MB of memory in use. ENERGY: 141000 752.2418 2101.0384 1978.7871 98.9311 -206621.4598 17970.5048 0.0000 0.0000 34369.9977 -149349.9589 300.1617 -183719.9566 -149250.2503 298.8803 69.6579 104.3625 556595.9249 -5.6030 -5.4999 PRESSURE: 141200 -61.0091 -131.502 50.3083 -131.502 -0.582227 -72.1601 50.309 -72.1612 87.1078 GPRESSURE: 141200 2.02684 -142.17 127.049 -165.12 52.3462 -96.3265 108.298 12.3318 65.047 PRESSAVG: 141200 8.34577 -5.67261 37.3952 -5.67258 32.302 -32.837 37.3953 -32.837 17.358 GPRESSAVG: 141200 9.13257 -7.76665 36.5381 -4.38687 32.0031 -35.698 38.188 -32.2487 16.7662 TIMING: 141200 CPU: 421.615, 0.00298949/step Wall: 421.615, 0.00298949/step, 4.03482 hours remaining, 204.476562 MB of memory in use. ENERGY: 141200 781.0287 2076.6371 1936.8814 111.4139 -206331.6139 17868.5974 0.0000 0.0000 34169.4971 -149387.5584 298.4107 -183557.0555 -149292.8363 298.7417 8.5055 39.8067 556520.4339 19.3353 19.3006 PRESSURE: 141400 -8.98095 -76.698 64.2052 -76.6964 -315.296 -48.5869 64.2053 -48.5877 -95.7205 GPRESSURE: 141400 -8.42189 -29.3896 58.004 -85.6621 -278.106 -114.177 55.7204 -1.53925 -33.1058 PRESSAVG: 141400 25.0507 -39.8947 31.3566 -39.8946 -41.2632 -22.1284 31.3566 -22.1284 20.3837 GPRESSAVG: 141400 25.0746 -39.102 33.332 -40.9938 -40.3485 -18.753 31.0986 -22.6233 19.3484 TIMING: 141400 CPU: 422.215, 0.00299855/step Wall: 422.215, 0.00299855/step, 4.04687 hours remaining, 204.476562 MB of memory in use. ENERGY: 141400 748.4710 2056.6535 1929.9140 107.9187 -206055.1760 17768.8491 0.0000 0.0000 34288.8126 -149154.5572 299.4527 -183443.3698 -149064.4779 299.3007 -139.9991 -106.5446 558167.4880 1.3904 1.3581 PRESSURE: 141600 -202.412 -142.302 57.731 -142.302 -41.7629 -21.7943 57.73 -21.7946 183.086 GPRESSURE: 141600 -169.442 -126.322 78.1706 -127.079 14.047 -66.1103 83.862 43.3296 178.92 PRESSAVG: 141600 -91.887 -16.2484 76.8452 -16.2484 -8.03724 15.2451 76.8452 15.2452 92.0326 GPRESSAVG: 141600 -93.6363 -15.9336 75.1141 -15.0639 -7.65748 12.9594 76.6043 15.5516 93.4478 TIMING: 141600 CPU: 422.814, 0.00299606/step Wall: 422.814, 0.00299606/step, 4.04335 hours remaining, 204.476562 MB of memory in use. ENERGY: 141600 761.5164 2039.4860 1963.1568 119.7266 -206243.4128 17789.0010 0.0000 0.0000 34287.3932 -149283.1327 299.4403 -183570.5259 -149186.5144 299.5119 -20.3630 7.8415 557035.9081 -2.6305 -2.6154 PRESSURE: 141800 -215.966 -27.6909 -96.8119 -27.6911 -238.971 -36.6773 -96.8129 -36.678 -269.158 GPRESSURE: 141800 -207.763 -33.9886 -75.08 25.3652 -190.608 -108.678 -170.451 -12.3024 -218.515 PRESSAVG: 141800 -62.0418 -13.7332 43.3699 -13.7333 30.3198 4.93511 43.3699 4.93506 -24.0218 GPRESSAVG: 141800 -60.2891 -12.4217 42.0618 -14.661 28.908 5.51378 44.7494 6.73443 -23.9538 TIMING: 141800 CPU: 423.41, 0.00298075/step Wall: 423.41, 0.00298075/step, 4.02252 hours remaining, 204.476562 MB of memory in use. ENERGY: 141800 767.4727 2125.6547 1966.0192 106.5880 -206054.0070 17603.4910 0.0000 0.0000 34262.3388 -149222.4426 299.2215 -183484.7814 -149127.4263 298.9645 -241.3654 -205.6288 558341.6187 -18.5813 -18.4450 PRESSURE: 142000 -54.4037 51.5301 -19.5787 51.5292 42.9783 148.436 -19.5804 148.436 286.183 GPRESSURE: 142000 -21.836 67.5133 -69.0616 2.55509 83.6983 122.575 -10.0355 159.054 323.506 PRESSAVG: 142000 -42.3569 3.80001 -24.6636 3.79998 3.99445 -30.6973 -24.6636 -30.6972 64.215 GPRESSAVG: 142000 -43.5028 0.386337 -23.3746 5.81865 5.98577 -31.4067 -27.438 -31.4946 63.5127 TIMING: 142000 CPU: 424.012, 0.00300943/step Wall: 424.012, 0.00300943/step, 4.06106 hours remaining, 204.476562 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: 142000 712.7628 2055.4856 1949.7923 102.6725 -206196.8922 17820.8473 0.0000 0.0000 34277.9614 -149277.3705 299.3580 -183555.3319 -149184.4414 299.9533 91.5857 128.4561 557645.4908 8.6175 8.6652 PRESSURE: 142200 -153.125 69.0414 67.2514 69.0412 -230.545 27.478 67.2526 27.4771 36.7238 GPRESSURE: 142200 -103.269 59.472 34.9412 78.0899 -156.894 66.4373 43.6579 -5.29257 9.16445 PRESSAVG: 142200 -6.21285 6.70391 7.22138 6.70403 -0.424337 -15.2682 7.22152 -15.2682 30.9192 GPRESSAVG: 142200 -6.11081 9.31257 6.92609 5.71579 -1.66556 -16.3074 9.5801 -14.8159 31.9559 TIMING: 142200 CPU: 424.613, 0.00300461/step Wall: 424.613, 0.00300461/step, 4.05439 hours remaining, 204.476562 MB of memory in use. ENERGY: 142200 731.8702 2000.7097 1940.0175 113.7404 -206149.6294 17699.2194 0.0000 0.0000 34269.9398 -149394.1323 299.2879 -183664.0721 -149298.5986 299.1815 -115.6488 -83.6662 558524.8888 8.0940 8.0599 PRESSURE: 142400 -11.5322 136.013 103.364 136.013 -94.9596 43.4098 103.364 43.411 257.326 GPRESSURE: 142400 66.5083 168.837 137.826 184.954 -88.0133 32.9235 122.251 43.664 269.568 PRESSAVG: 142400 -22.6599 27.1778 52.6358 27.1779 -45.7986 -19.063 52.6358 -19.0631 40.4548 GPRESSAVG: 142400 -21.4799 25.349 55.0913 28.2488 -45.578 -17.004 50.5186 -21.5107 38.771 TIMING: 142400 CPU: 425.207, 0.00296883/step Wall: 425.207, 0.00296883/step, 4.00594 hours remaining, 204.476562 MB of memory in use. ENERGY: 142400 740.8101 2051.7901 1942.9567 114.4030 -206412.4098 18013.4025 0.0000 0.0000 34189.4751 -149359.5724 298.5852 -183549.0475 -149272.3735 299.0241 50.2780 82.6876 558090.1199 -9.3346 -9.4290 PRESSURE: 142600 -196.97 238.663 -0.84979 238.664 -74.7554 -2.51543 -0.848503 -2.51322 20.1344 GPRESSURE: 142600 -154.248 144.655 28.2856 251.787 -31.2116 33.6111 -49.2711 11.2954 20.178 PRESSAVG: 142600 -34.9347 106.846 57.4899 106.846 -46.9171 75.2659 57.4898 75.266 92.5794 GPRESSAVG: 142600 -34.6258 106.525 56.6022 107.002 -47.8717 75.4769 59.1869 76.2109 93.9581 TIMING: 142600 CPU: 425.8, 0.00296642/step Wall: 425.8, 0.00296642/step, 4.00252 hours remaining, 204.476562 MB of memory in use. ENERGY: 142600 760.3395 2091.8008 1954.5183 110.4321 -206319.1997 17842.5577 0.0000 0.0000 34392.3045 -149167.2467 300.3565 -183559.5512 -149073.9827 299.5784 -83.8637 -55.0938 557715.3220 3.5759 3.8202 PRESSURE: 142800 -170.321 -160.886 60.554 -160.886 -84.3465 43.7622 60.555 43.7613 92.8549 GPRESSURE: 142800 -164.292 -97.8161 100.72 -186.683 -76.6977 26.5866 118.827 -55.1075 179.482 PRESSAVG: 142800 -35.6016 56.9647 93.3286 56.9647 -12.6258 -8.63555 93.3285 -8.63553 69.2347 GPRESSAVG: 142800 -36.3293 61.7862 93.3976 55.0966 -12.736 -8.21991 93.1309 -9.48892 69.8761 TIMING: 142800 CPU: 426.399, 0.00299442/step Wall: 426.399, 0.00299442/step, 4.04014 hours remaining, 204.535156 MB of memory in use. ENERGY: 142800 727.2359 2099.9614 1942.7040 112.2734 -206026.1452 17693.6408 0.0000 0.0000 34276.4284 -149173.9013 299.3446 -183450.3297 -149078.2182 299.5219 -53.9375 -20.5025 557691.8811 7.0024 6.9369 PRESSURE: 143000 16.842 52.2833 83.3212 52.2828 -221.645 184.876 83.3218 184.874 22.1925 GPRESSURE: 143000 24.6853 -11.9312 -19.2082 112.668 -163.689 225.143 47.4855 233.146 61.9503 PRESSAVG: 143000 -75.3821 0.168223 -15.5744 0.168231 -4.53839 9.52298 -15.5744 9.523 91.8476 GPRESSAVG: 143000 -74.711 -2.7615 -18.3208 0.197088 -4.86767 9.84068 -15.6563 9.30022 91.3783 TIMING: 143000 CPU: 426.997, 0.0029928/step Wall: 426.997, 0.0029928/step, 4.03778 hours remaining, 204.765625 MB of memory in use. ENERGY: 143000 767.6897 2086.4023 1952.4245 120.2232 -206110.3243 17764.8031 0.0000 0.0000 34180.9063 -149237.8752 298.5104 -183418.7815 -149146.7655 299.3839 -60.8703 -25.6843 557803.5662 3.9757 3.9332 PRESSURE: 143200 -89.6513 97.7446 100.04 97.744 159.587 114.798 100.04 114.8 -130.103 GPRESSURE: 143200 -15.1993 84.1666 100.786 78.2649 186.642 112.764 163.105 142.625 -130.029 PRESSAVG: 143200 -46.9133 -11.0389 9.47515 -11.039 -6.35004 42.1001 9.47521 42.1002 -25.7818 GPRESSAVG: 143200 -48.382 -12.6769 12.4439 -10.2141 -5.14949 41.2176 9.67683 42.1955 -25.7881 TIMING: 143200 CPU: 427.588, 0.00295402/step Wall: 427.588, 0.00295402/step, 3.9853 hours remaining, 204.765625 MB of memory in use. ENERGY: 143200 768.4691 2070.8919 1927.3575 105.7452 -206353.9240 17993.8740 0.0000 0.0000 34401.7941 -149085.7922 300.4394 -183487.5863 -148987.2288 299.6503 -20.0558 13.8045 558109.1938 -26.3484 -26.4399 PRESSURE: 143400 113.06 -72.8018 -140.944 -72.801 -165.427 101.124 -140.944 101.124 227.24 GPRESSURE: 143400 131.773 -72.9576 -208.252 -50.2974 -131.372 31.509 -82.2399 101.3 265.722 PRESSAVG: 143400 32.6503 33.5494 20.5215 33.5493 0.852931 48.0294 20.5215 48.0294 -59.3257 GPRESSAVG: 143400 33.0595 34.8298 19.1852 33.0625 -0.342595 46.8914 20.2363 50.3165 -58.6776 TIMING: 143400 CPU: 428.18, 0.00295855/step Wall: 428.18, 0.00295855/step, 3.99125 hours remaining, 204.765625 MB of memory in use. ENERGY: 143400 750.1962 2158.3441 1956.0997 121.2951 -206448.9818 17951.6126 0.0000 0.0000 34391.4894 -149119.9447 300.3494 -183511.4341 -149032.5738 300.1501 58.2912 88.7078 556535.7357 -8.6075 -8.6536 PRESSURE: 143600 -159.985 59.9335 -206.97 59.9342 120.487 -37.8888 -206.969 -37.8905 53.596 GPRESSURE: 143600 -125.822 95.8012 -177.523 -9.57069 185.497 48.1487 -292.648 -88.1874 49.3803 PRESSAVG: 143600 -52.0293 -22.2788 -58.3229 -22.2788 74.8793 24.4393 -58.3228 24.4394 -9.1171 GPRESSAVG: 143600 -51.8263 -21.1254 -61.5432 -22.8971 74.6964 25.5773 -57.3133 22.4805 -8.88522 TIMING: 143600 CPU: 428.775, 0.00297593/step Wall: 428.775, 0.00297593/step, 4.01453 hours remaining, 204.765625 MB of memory in use. ENERGY: 143600 758.1192 2114.9904 1947.9377 110.1609 -206381.8751 17976.6360 0.0000 0.0000 34529.2335 -148944.7974 301.5524 -183474.0309 -148840.6969 300.5146 4.6992 36.3520 557822.8703 4.5776 4.6616 PRESSURE: 143800 -93.2285 2.58679 13.9297 2.58808 99.8324 -59.6139 13.9289 -59.6135 4.05716 GPRESSURE: 143800 -69.3268 -21.5941 4.84835 88.9467 170.791 -29.909 -76.3918 -46.6147 8.65909 PRESSAVG: 143800 -18.3569 7.39549 -25.8766 7.39554 54.4485 5.93849 -25.8766 5.93847 -6.70584 GPRESSAVG: 143800 -18.7372 6.10363 -20.6497 8.66506 55.5103 4.14939 -28.0694 5.79201 -8.01063 TIMING: 143800 CPU: 429.37, 0.00297487/step Wall: 429.37, 0.00297487/step, 4.01293 hours remaining, 204.765625 MB of memory in use. ENERGY: 143800 749.1989 2077.2501 1965.4075 109.9924 -206055.5012 17800.4944 0.0000 0.0000 34323.2702 -149029.8877 299.7537 -183353.1579 -148931.9636 299.8844 3.5537 36.7076 556674.4887 9.7952 9.5875 PRESSURE: 144000 -208.772 -129.868 -83.7734 -129.867 55.7614 -178.876 -83.7737 -178.876 -180.214 GPRESSURE: 144000 -204.414 -141.036 -133.377 -112.176 88.9756 -132.956 5.19244 -157.061 -136.766 PRESSAVG: 144000 -27.4152 49.6708 63.0948 49.6708 119.675 15.8556 63.0949 15.8556 -47.3244 GPRESSAVG: 144000 -27.4528 52.6732 58.5464 47.1951 118.489 16.5593 62.4522 16.7708 -46.2498 TIMING: 144000 CPU: 429.961, 0.00295399/step Wall: 429.961, 0.00295399/step, 3.98461 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: 144000 778.6293 2127.6184 1966.7564 119.5178 -206064.8097 17793.1159 0.0000 0.0000 34402.4292 -148876.7428 300.4450 -183279.1720 -148779.3683 299.9051 -111.0748 -84.0680 558767.0935 14.9786 14.9287 PRESSURE: 144200 -309.67 124.26 62.1076 124.26 -224.999 9.70997 62.1072 9.70985 -326.175 GPRESSURE: 144200 -235.189 75.5867 46.6753 122.414 -189.045 84.1774 52.5358 4.35022 -347.438 PRESSAVG: 144200 29.5467 -22.3231 0.487099 -22.3231 3.54717 18.5655 0.487168 18.5656 -16.8888 GPRESSAVG: 144200 30.5751 -25.4906 1.54753 -20.5243 3.30075 19.581 1.55014 17.1428 -17.4321 TIMING: 144200 CPU: 430.556, 0.00297398/step Wall: 430.556, 0.00297398/step, 4.0114 hours remaining, 204.765625 MB of memory in use. ENERGY: 144200 738.0522 2107.9789 1982.2223 115.1230 -205760.2419 17353.1118 0.0000 0.0000 34529.4346 -148934.3192 301.5541 -183463.7538 -148826.2454 300.7839 -286.9481 -257.2242 558913.8020 5.4017 5.4812 LDB: ============= START OF LOAD BALANCING ============== 434.07 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 434.07 LDB: =============== DONE WITH MIGRATION ================ 434.072 LDB: ============= START OF LOAD BALANCING ============== 434.371 LDB: Largest compute 4773 load 0.029698 is 25.2% of average load 0.117845 LDB: Average compute 0.001735 is 1.5% of average load 0.117845 LDB: TIME 434.373 LOAD: AVG 0.117845 MAX 0.208196 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.898 MB LDB: TIME 434.373 LOAD: AVG 0.117845 MAX 0.208196 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.898 MB LDB: TIME 434.373 LOAD: AVG 0.117845 MAX 0.208196 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.898 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 434.375 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 434.379 PRESSURE: 144400 -21.8077 182.164 104.34 182.163 195.527 -44.221 104.34 -44.2208 -74.7662 GPRESSURE: 144400 20.3472 208.738 100.395 55.7346 167.029 -29.5389 57.4023 -56.351 9.81756 PRESSAVG: 144400 -12.1673 55.3263 36.8044 55.3263 57.863 31.5104 36.8045 31.5105 12.4242 GPRESSAVG: 144400 -12.8986 54.7384 37.3881 54.9742 57.611 31.2773 37.4107 32.5906 13.6792 TIMING: 144400 CPU: 431.162, 0.0030348/step Wall: 431.162, 0.00303479/step, 4.09326 hours remaining, 204.972656 MB of memory in use. ENERGY: 144400 748.8062 2167.9072 1946.6582 128.2353 -206043.9409 17831.8142 0.0000 0.0000 34234.5600 -148985.9597 298.9789 -183220.5197 -148886.1094 300.0205 32.9845 65.7312 557801.8528 19.3733 19.4639 PRESSURE: 144600 -55.1071 -33.5141 106.647 -33.5129 -166.676 -50.5381 106.647 -50.539 -59.4794 GPRESSURE: 144600 -36.8487 -100.629 156.535 55.3415 -185.743 -26.2982 42.9479 -32.1948 42.7754 PRESSAVG: 144600 27.7815 -18.6039 54.4387 -18.604 58.8465 3.5803 54.4386 3.58028 -52.7034 GPRESSAVG: 144600 27.7538 -18.6198 58.1107 -18.4883 60.0333 3.5782 51.2 2.89905 -53.2313 TIMING: 144600 CPU: 431.761, 0.002991/step Wall: 431.761, 0.002991/step, 4.03403 hours remaining, 205.175781 MB of memory in use. ENERGY: 144600 729.6230 2094.1487 1978.5968 113.6184 -205901.5991 17615.4505 0.0000 0.0000 34355.9372 -149014.2246 300.0389 -183370.1618 -148920.9929 300.6608 -93.7541 -59.9387 556165.4319 11.3082 11.5186 PRESSURE: 144800 41.1741 156.375 -4.84882 156.375 114.836 25.86 -4.84961 25.861 105.992 GPRESSURE: 144800 21.0529 152.189 48.6465 151.379 154.432 115.765 -18.5129 -20.8108 181.838 PRESSAVG: 144800 -36.6879 -11.1621 -0.383065 -11.1622 -33.792 60.6039 -0.383097 60.6038 41.2193 GPRESSAVG: 144800 -36.0742 -9.32229 -2.19397 -10.1325 -33.3452 61.539 0.164001 60.2483 41.0113 TIMING: 144800 CPU: 432.355, 0.00297112/step Wall: 432.355, 0.00297112/step, 4.00706 hours remaining, 205.175781 MB of memory in use. ENERGY: 144800 723.2782 2100.2937 1966.9929 107.9633 -206243.5951 17859.9509 0.0000 0.0000 34550.4533 -148934.6629 301.7377 -183485.1162 -148830.8417 300.7365 87.3341 119.1076 555556.9258 -9.7535 -9.4694 PRESSURE: 145000 -76.4262 -282.276 176.606 -282.277 70.3911 -93.4784 176.606 -93.4765 13.9676 GPRESSURE: 145000 -42.2389 -290.499 205.983 -328.355 105.809 -27.9378 156.573 -143.508 35.0988 PRESSAVG: 145000 23.1315 -50.9321 4.02296 -50.9322 -37.6946 -51.8038 4.02294 -51.8037 12.3276 GPRESSAVG: 145000 23.9373 -52.0092 2.43143 -51.3966 -38.2888 -52.0381 6.08125 -51.2205 13.0228 TIMING: 145000 CPU: 432.949, 0.00296805/step Wall: 432.949, 0.00296805/step, 4.00275 hours remaining, 205.175781 MB of memory in use. ENERGY: 145000 749.3907 2087.0966 1973.6584 108.7950 -205789.5058 17661.3573 0.0000 0.0000 34312.5684 -148896.6394 299.6602 -183209.2078 -148807.0624 300.1192 2.6441 32.8898 557806.8680 -0.7452 -0.4429 PRESSURE: 145200 36.9342 -179.648 42.7755 -179.648 -265.112 -27.2636 42.7774 -27.263 78.8916 GPRESSURE: 145200 53.4691 -227.454 -45.4792 -202.794 -187.529 -36.1357 133.799 -9.99897 86.7997 PRESSAVG: 145200 41.9305 -45.9912 37.927 -45.9912 -52.9709 -0.66955 37.9269 -0.669548 37.5395 GPRESSAVG: 145200 41.4297 -46.2121 38.7659 -47.4248 -51.3433 -2.98692 36.4027 1.44971 36.6553 TIMING: 145200 CPU: 433.545, 0.00298023/step Wall: 433.545, 0.00298023/step, 4.019 hours remaining, 205.175781 MB of memory in use. ENERGY: 145200 756.6395 2079.9984 1954.3207 100.5114 -206099.9706 17847.6969 0.0000 0.0000 34385.4709 -148975.3328 300.2969 -183360.8037 -148884.0955 300.2844 -49.7620 -15.7535 557772.4597 8.8330 8.9139 PRESSURE: 145400 -63.8533 -123.587 -36.636 -123.588 -74.8172 201.113 -36.636 201.113 -46.7573 GPRESSURE: 145400 -21.7477 -129.675 52.2303 -133.136 -44.8883 146.045 -119.994 226.466 -18.2386 PRESSAVG: 145400 32.5516 -15.446 49.6439 -15.446 3.99084 -68.5238 49.6439 -68.5237 -41.5397 GPRESSAVG: 145400 33.411 -14.4514 50.8724 -15.3438 2.46116 -66.0408 49.7557 -71.1634 -40.5647 TIMING: 145400 CPU: 434.139, 0.00297469/step Wall: 434.139, 0.00297469/step, 4.01137 hours remaining, 205.175781 MB of memory in use. ENERGY: 145400 732.6226 2144.4512 1954.5038 118.9249 -206280.1472 17739.5796 0.0000 0.0000 34424.8742 -149165.1909 300.6410 -183590.0651 -149068.3161 299.8788 -61.8093 -28.2915 557908.8829 -1.6658 -1.5642 PRESSURE: 145600 315.839 46.5494 8.01776 46.5481 122.023 65.0812 8.01767 65.0816 -103.871 GPRESSURE: 145600 324.003 58.0357 18.9192 -15.078 153.558 13.7457 -4.97602 64.3601 -33.9746 PRESSAVG: 145600 48.9317 -18.4411 -30.2581 -18.4411 -15.0737 6.01585 -30.2582 6.01579 -49.4795 GPRESSAVG: 145600 47.5022 -20.0027 -32.2046 -15.7942 -14.7139 5.6622 -30.3823 6.36937 -47.7374 TIMING: 145600 CPU: 434.737, 0.00298566/step Wall: 434.737, 0.00298566/step, 4.02599 hours remaining, 205.312500 MB of memory in use. ENERGY: 145600 714.2875 2092.5093 1954.6696 116.6880 -206228.5422 17986.0549 0.0000 0.0000 34292.9221 -149071.4109 299.4886 -183364.3330 -148973.8788 299.5735 111.3300 147.8623 558560.0851 -5.2072 -4.9830 PRESSURE: 145800 -92.0902 -135.207 157.133 -135.207 -182.098 -68.0487 157.133 -68.0511 -128.769 GPRESSURE: 145800 -90.5109 -201.082 112.067 -97.8113 -140.288 -127.766 187.287 -82.0643 -68.0825 PRESSAVG: 145800 -3.67785 -44.9883 28.1594 -44.9883 -36.9916 9.46468 28.1594 9.46453 37.2754 GPRESSAVG: 145800 -1.43726 -44.4799 29.0182 -47.5466 -38.1082 10.3637 29.4621 9.57505 36.0764 TIMING: 145800 CPU: 435.336, 0.00299617/step Wall: 435.336, 0.00299617/step, 4.04 hours remaining, 205.312500 MB of memory in use. ENERGY: 145800 725.2141 2107.0041 1959.6465 118.2063 -205837.2615 17479.2952 0.0000 0.0000 34299.0515 -149148.8439 299.5421 -183447.8954 -149055.7968 299.5829 -134.3193 -99.6270 556639.9646 -1.1314 -1.1563 PRESSURE: 146000 69.7876 -109.377 16.6703 -109.376 -106.553 -18.0409 16.6694 -18.0409 -70.6342 GPRESSURE: 146000 109.653 -97.5738 116.326 -34.6972 -65.8425 -55.5739 -14.3862 17.138 -60.1605 PRESSAVG: 146000 12.8097 -4.92316 22.4922 -4.92321 15.8666 -45.423 22.4922 -45.4231 47.7711 GPRESSAVG: 146000 11.7697 -3.91245 22.5546 -3.80415 16.6081 -49.4113 20.3548 -42.429 47.7209 TIMING: 146000 CPU: 435.938, 0.0030085/step Wall: 435.938, 0.0030085/step, 4.05647 hours remaining, 205.312500 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: 146000 760.0716 2034.8431 1933.4224 105.3513 -206156.9765 17759.3704 0.0000 0.0000 34238.6164 -149325.3012 299.0144 -183563.9176 -149229.4812 299.4517 -35.7998 -5.4499 555481.9522 25.4825 25.3663 PRESSURE: 146200 34.4729 -56.02 4.72162 -56.0193 -86.5121 24.0594 4.72261 24.0596 47.6327 GPRESSURE: 146200 56.9904 -45.0155 25.8543 -10.7395 -6.18469 30.925 34.0126 37.3459 28.257 PRESSAVG: 146200 24.8212 -8.99628 -9.84221 -8.99625 26.8243 -48.5061 -9.84217 -48.5061 -21.7781 GPRESSAVG: 146200 24.5755 -10.2404 -7.95663 -9.26026 27.4057 -45.048 -8.79276 -51.0005 -21.7486 TIMING: 146200 CPU: 436.531, 0.00296817/step Wall: 436.531, 0.00296817/step, 4.00191 hours remaining, 205.312500 MB of memory in use. ENERGY: 146200 750.8099 2132.0341 1958.1591 113.5975 -206273.5037 17680.1244 0.0000 0.0000 34412.1900 -149226.5888 300.5302 -183638.7787 -149135.1125 299.0428 -1.4688 26.3542 555810.7783 9.9558 10.0775 PRESSURE: 146400 31.3221 51.6038 -155.681 51.6031 -135.476 -26.4803 -155.682 -26.48 -188.335 GPRESSURE: 146400 43.6947 71.786 -131.914 -8.84866 -96.1955 4.11739 -177.418 -43.8216 -133.65 PRESSAVG: 146400 37.1162 14.6292 -11.1128 14.6293 -15.416 14.3384 -11.1128 14.3384 36.8126 GPRESSAVG: 146400 37.918 16.3148 -13.3807 14.5958 -16.6365 11.9936 -11.2939 15.938 37.7611 TIMING: 146400 CPU: 437.131, 0.00300085/step Wall: 437.131, 0.00300085/step, 4.04582 hours remaining, 205.312500 MB of memory in use. ENERGY: 146400 747.7676 2125.7305 1950.4763 129.0165 -206154.3599 17699.0749 0.0000 0.0000 34420.3336 -149081.9606 300.6013 -183502.2941 -148983.8451 299.9223 -97.4966 -62.0503 557202.7557 19.5043 19.6809 PRESSURE: 146600 187.418 -9.12778 -109.339 -9.12778 155.178 165.783 -109.338 165.781 7.70607 GPRESSURE: 146600 243.682 -42.9251 -76.548 33.3747 151.649 67.7473 -110.226 103.199 51.8213 PRESSAVG: 146600 63.8879 17.3205 42.3596 17.3205 -1.25148 52.2217 42.3596 52.2217 -38.8848 GPRESSAVG: 146600 62.9239 16.2617 43.2843 18.447 -0.239225 53.964 42.6855 50.8998 -39.2132 TIMING: 146600 CPU: 437.73, 0.0029951/step Wall: 437.73, 0.0029951/step, 4.03789 hours remaining, 205.312500 MB of memory in use. ENERGY: 146600 732.1263 2088.4288 1959.6482 115.0028 -206314.6682 17927.4511 0.0000 0.0000 34297.3759 -149194.6350 299.5275 -183492.0109 -149102.3660 299.2045 116.7672 149.0508 557781.9244 7.9172 7.8238 PRESSURE: 146800 -33.2281 45.6224 50.4568 45.6237 -69.7567 25.1978 50.4581 25.1965 -182.093 GPRESSURE: 146800 -58.5268 17.9138 55.3071 33.7849 -38.263 29.6188 125.96 72.2373 -92.1768 PRESSAVG: 146800 18.2406 40.2903 -6.19664 40.2903 9.20498 24.4903 -6.19663 24.4902 -70.2166 GPRESSAVG: 146800 18.6609 40.8437 -6.01999 39.2209 9.10456 23.9431 -6.026 25.1372 -70.6512 TIMING: 146800 CPU: 438.325, 0.00297221/step Wall: 438.325, 0.00297221/step, 4.00687 hours remaining, 205.312500 MB of memory in use. ENERGY: 146800 741.2497 2058.0400 1943.6958 114.2793 -206073.6348 17618.9844 0.0000 0.0000 34331.2873 -149266.0983 299.8237 -183597.3856 -149165.1422 298.9303 -95.0258 -62.9889 557327.2154 -14.2570 -14.2953 PRESSURE: 147000 19.7543 -103.96 152.621 -103.959 -342.301 21.2347 152.621 21.235 79.3347 GPRESSURE: 147000 29.8156 -118.264 113.542 -93.4142 -252.044 -11.005 147.908 -36.8763 70.3957 PRESSAVG: 147000 -5.1722 -17.5931 -6.659 -17.5932 -12.8782 9.119 -6.65896 9.11896 32.8834 GPRESSAVG: 147000 -4.12997 -20.2569 -9.1245 -16.3162 -12.7502 8.72993 -5.55774 7.47725 32.361 TIMING: 147000 CPU: 438.92, 0.00297583/step Wall: 438.92, 0.00297583/step, 4.01159 hours remaining, 205.312500 MB of memory in use. ENERGY: 147000 761.2518 2051.9420 1917.3644 104.3653 -205984.4548 17580.5817 0.0000 0.0000 34267.4200 -149301.5296 299.2659 -183568.9497 -149202.6122 299.3588 -81.0708 -50.6110 558079.3651 4.9444 5.1603 PRESSURE: 147200 -530.102 25.9456 -123.664 25.9462 -386.459 32.6402 -123.664 32.6409 -187.797 GPRESSURE: 147200 -514.564 29.252 -151.252 64.7514 -356.136 56.3755 -158.262 -12.6692 -124.602 PRESSAVG: 147200 -35.2181 -62.5671 15.4061 -62.567 -23.9692 -20.075 15.4059 -20.0749 65.8167 GPRESSAVG: 147200 -35.3589 -59.4602 18.686 -63.2854 -24.7774 -20.1328 12.5541 -19.2861 67.2267 TIMING: 147200 CPU: 439.518, 0.00299148/step Wall: 439.518, 0.00299148/step, 4.03251 hours remaining, 205.312500 MB of memory in use. ENERGY: 147200 780.5929 2130.7794 1949.9885 109.2692 -205718.2714 17344.9813 0.0000 0.0000 34268.0478 -149134.6124 299.2714 -183402.6602 -149031.9652 298.9182 -368.1195 -331.7673 559631.9386 2.2098 2.3634 PRESSURE: 147400 82.3795 -93.1312 192.098 -93.1317 -11.1004 25.3059 192.098 25.3073 8.80154 GPRESSURE: 147400 117.288 -142.283 260.112 -50.8622 -4.21857 8.71662 193.826 -11.2845 62.6721 PRESSAVG: 147400 -24.1921 -2.04507 16.1819 -2.04503 43.271 -46.1957 16.1818 -46.1957 -5.82553 GPRESSAVG: 147400 -23.647 -3.19566 13.2925 -3.17594 43.7086 -44.7982 17.1629 -46.4912 -6.62748 TIMING: 147400 CPU: 440.115, 0.00298342/step Wall: 440.115, 0.00298342/step, 4.02148 hours remaining, 205.312500 MB of memory in use. ENERGY: 147400 774.1173 2079.9120 1946.1121 131.4279 -206342.3140 18086.8118 0.0000 0.0000 34241.8851 -149082.0477 299.0429 -183323.9328 -148986.3596 299.7102 26.6936 58.5806 557472.5905 4.4178 4.4780 PRESSURE: 147600 272.152 -11.2633 143.047 -11.2636 72.4731 -33.8951 143.048 -33.8964 56.3168 GPRESSURE: 147600 277.096 -64.3958 61.0397 30.9637 86.5906 -98.8031 190.009 -11.669 137.269 PRESSAVG: 147600 -31.2534 -3.97562 104.486 -3.97568 20.7278 -30.9344 104.486 -30.9345 33.942 GPRESSAVG: 147600 -32.1606 -3.98337 107.062 -3.45539 21.3893 -29.9564 103.492 -30.1955 33.8667 TIMING: 147600 CPU: 440.713, 0.00299215/step Wall: 440.713, 0.00299215/step, 4.03309 hours remaining, 205.558594 MB of memory in use. ENERGY: 147600 744.1293 2097.0254 1932.5946 110.8595 -206340.8590 17961.7997 0.0000 0.0000 34303.8289 -149190.6216 299.5839 -183494.4505 -149092.3066 299.7770 133.6474 166.9851 556229.9370 7.8054 7.6984 PRESSURE: 147800 -85.279 -30.2918 60.7205 -30.2928 -224.49 -41.0704 60.7203 -41.0708 -224.976 GPRESSURE: 147800 -66.7021 -131.678 22.9116 -40.9481 -193.958 -34.8752 92.7695 -69.7172 -185.269 PRESSAVG: 147800 55.5571 -10.2801 16.1393 -10.2801 9.53875 11.7349 16.1393 11.7348 -5.99365 GPRESSAVG: 147800 56.1765 -10.5035 13.3621 -8.73169 10.3824 11.983 20.0678 10.978 -7.54484 TIMING: 147800 CPU: 441.313, 0.0029972/step Wall: 441.313, 0.0029972/step, 4.03972 hours remaining, 205.558594 MB of memory in use. ENERGY: 147800 810.3858 2077.8721 1937.0686 114.7510 -205931.9074 17592.6483 0.0000 0.0000 34199.0771 -149200.1044 298.6690 -183399.1815 -149105.3496 299.4147 -178.2484 -148.6432 556523.2073 19.7007 19.6714 PRESSURE: 148000 -167.859 16.7209 105.992 16.7204 24.3186 50.5836 105.992 50.5838 128.914 GPRESSURE: 148000 -109.85 93.4947 144.855 15.5761 63.8363 140.237 16.1964 -10.2805 139.34 PRESSAVG: 148000 64.5953 18.5839 53.1254 18.5839 35.1689 7.8583 53.1254 7.85822 -101.711 GPRESSAVG: 148000 64.8275 19.8119 55.7812 17.7191 33.7237 6.64042 48.3771 8.36555 -100.642 TIMING: 148000 CPU: 441.91, 0.00298612/step Wall: 441.91, 0.00298612/step, 4.02463 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: 148000 772.4514 2120.3646 1918.7205 112.5564 -206258.2694 17639.0785 0.0000 0.0000 34263.7438 -149431.3543 299.2338 -183695.0980 -149339.6254 298.7703 -4.8756 31.1088 555784.0980 -0.6488 -0.6969 PRESSURE: 148200 -0.86345 218.565 -111.94 218.564 29.4514 -86.9676 -111.941 -86.9662 66.4119 GPRESSURE: 148200 36.6985 148.068 -87.837 291.858 23.2155 -85.4007 -139.309 -94.1515 128.886 PRESSAVG: 148200 21.5911 12.3003 -3.53747 12.3004 -15.9072 35.0494 -3.53751 35.0496 40.8433 GPRESSAVG: 148200 20.8138 10.8897 -4.49746 12.8253 -16.2492 35.0703 -2.20371 36.4845 42.2227 TIMING: 148200 CPU: 442.506, 0.00298214/step Wall: 442.506, 0.00298214/step, 4.0191 hours remaining, 205.558594 MB of memory in use. ENERGY: 148200 735.0943 2095.0302 1963.5259 111.7618 -206412.6173 17933.4671 0.0000 0.0000 34262.4585 -149311.2795 299.2226 -183573.7380 -149207.6611 299.3095 31.6666 62.9334 556915.0837 15.5091 15.5957 LDB: ============= START OF LOAD BALANCING ============== 446.022 LDB: ============== END OF LOAD BALANCING =============== 446.022 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 446.024 LDB: ============= START OF LOAD BALANCING ============== 446.321 LDB: Largest compute 4773 load 0.030341 is 25.8% of average load 0.117799 LDB: Average compute 0.001741 is 1.5% of average load 0.117799 LDB: TIME 446.324 LOAD: AVG 0.117799 MAX 0.207279 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.441 MB LDB: TIME 446.324 LOAD: AVG 0.117799 MAX 0.207279 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.66 MB LDB: TIME 446.324 LOAD: AVG 0.117799 MAX 0.207279 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.66 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 446.326 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 446.33 PRESSURE: 148400 85.2474 68.6508 67.0784 68.6515 -236.677 -14.3947 67.0779 -14.3934 280.834 GPRESSURE: 148400 126.541 142.36 77.3683 41.582 -143.579 51.4924 25.9227 -63.7978 250.25 PRESSAVG: 148400 -18.4942 -15.347 31.9988 -15.347 5.56032 22.8783 31.9987 22.8784 6.86082 GPRESSAVG: 148400 -17.6947 -15.1419 31.9244 -16.1764 4.72756 19.9008 32.8139 21.2034 6.46058 TIMING: 148400 CPU: 443.113, 0.00303475/step Wall: 443.113, 0.00303475/step, 4.08983 hours remaining, 203.210938 MB of memory in use. ENERGY: 148400 778.2913 2084.0527 1958.9141 119.2225 -206489.4027 18088.7203 0.0000 0.0000 34170.2634 -149289.9382 298.4174 -183460.2016 -149194.5245 299.1116 43.1346 77.7373 556879.8250 -2.0243 -2.1689 PRESSURE: 148600 -63.9287 166.308 -75.3781 166.308 8.77034 91.1373 -75.3764 91.1373 118.784 GPRESSURE: 148600 -20.5837 85.7593 -32.4902 192.889 47.3597 110.323 -31.7226 193.034 143.017 PRESSAVG: 148600 -6.53782 -22.5917 18.3217 -22.5917 33.4795 -10.94 18.3216 -10.9399 -32.0636 GPRESSAVG: 148600 -6.0712 -21.317 19.482 -25.4005 33.4675 -7.08772 17.3605 -9.57633 -33.4084 TIMING: 148600 CPU: 443.711, 0.00299009/step Wall: 443.711, 0.00299009/step, 4.02947 hours remaining, 203.210938 MB of memory in use. ENERGY: 148600 710.0292 2153.5802 1945.9447 103.3959 -206239.2421 17806.7868 0.0000 0.0000 34280.4085 -149239.0966 299.3793 -183519.5052 -149140.8384 299.2141 21.2086 56.5976 557381.8034 -1.7073 -2.0040 PRESSURE: 148800 -104.807 -10.9825 -12.0307 -10.9821 -142.924 -116.696 -12.0296 -116.696 -259.228 GPRESSURE: 148800 -124.769 -44.3496 -123.838 16.6614 -95.6454 -66.6805 49.8249 -109.243 -170.603 PRESSAVG: 148800 7.3744 -0.829554 30.1312 -0.829478 -2.7351 -1.0347 30.1312 -1.03468 -15.4573 GPRESSAVG: 148800 6.85802 -0.639383 26.5352 0.987697 -2.88421 -2.28742 31.0062 -1.04097 -14.3201 TIMING: 148800 CPU: 444.304, 0.00296491/step Wall: 444.304, 0.00296491/step, 3.99537 hours remaining, 203.414062 MB of memory in use. ENERGY: 148800 774.7030 2104.5796 1948.3287 101.2019 -206189.1863 17605.2217 0.0000 0.0000 34399.3037 -149255.8478 300.4177 -183655.1515 -149151.0560 299.7093 -168.9865 -130.3392 557241.7612 -3.6060 -3.4487 PRESSURE: 149000 -55.4385 95.887 154.492 95.8859 106.061 220.172 154.492 220.172 263.942 GPRESSURE: 149000 -9.84303 33.8201 254.736 151.934 128.31 227.886 134.33 145.761 287.343 PRESSAVG: 149000 -3.29061 -7.97715 7.58899 -7.9772 24.7354 28.9845 7.58906 28.9846 25.8698 GPRESSAVG: 149000 -3.20885 -8.38909 9.13408 -8.3863 25.6585 30.6291 5.86046 27.5999 24.8802 TIMING: 149000 CPU: 444.899, 0.00297181/step Wall: 444.899, 0.00297181/step, 4.00452 hours remaining, 203.414062 MB of memory in use. ENERGY: 149000 759.2163 2090.0187 1957.3604 109.1089 -206918.1136 18094.7352 0.0000 0.0000 34422.9812 -149484.6928 300.6245 -183907.6740 -149390.7731 299.2361 104.8551 135.2698 556783.1033 15.7715 15.7766 PRESSURE: 149200 48.4687 -39.2859 -34.8885 -39.2856 -106.663 -128.361 -34.89 -128.36 -3.71007 GPRESSURE: 149200 95.2682 -40.4813 -48.8117 -41.173 -59.8206 -90.1769 -5.87527 -137.185 3.31774 PRESSAVG: 149200 -14.9525 -43.5407 -25.9445 -43.5407 -86.2936 1.38128 -25.9445 1.38126 70.554 GPRESSAVG: 149200 -14.8332 -45.8119 -24.8431 -41.7091 -86.5974 -0.298762 -25.8605 2.74466 70.5548 TIMING: 149200 CPU: 445.491, 0.00296119/step Wall: 445.491, 0.00296119/step, 3.99004 hours remaining, 203.511719 MB of memory in use. ENERGY: 149200 733.6415 2114.8925 1925.7363 115.5122 -206513.5426 17881.8419 0.0000 0.0000 34172.9291 -149568.9891 298.4407 -183741.9182 -149473.0979 298.7241 -20.6348 12.9218 556206.2975 -10.2307 -10.2919 PRESSURE: 149400 -107.001 18.9311 -232.552 18.9309 134.588 -39.0342 -232.553 -39.0334 122.08 GPRESSURE: 149400 -45.2225 37.1855 -285.701 -42.2647 142.018 -86.8522 -213.089 -36.5537 152.575 PRESSAVG: 149400 34.0348 3.90668 -18.2308 3.90677 -0.227156 -73.6833 -18.2308 -73.6834 -55.212 GPRESSAVG: 149400 34.1483 4.03899 -18.9996 4.34717 -0.823447 -74.2121 -17.2148 -74.2448 -54.8801 TIMING: 149400 CPU: 446.088, 0.00298559/step Wall: 446.088, 0.00298559/step, 4.02275 hours remaining, 203.511719 MB of memory in use. ENERGY: 149400 699.2902 2084.5491 1941.4377 118.2763 -206472.5611 17979.7049 0.0000 0.0000 34064.6689 -149584.6341 297.4952 -183649.3030 -149490.4327 298.4642 49.8891 83.1236 559193.9496 -7.1348 -7.1851 PRESSURE: 149600 236.716 7.80216 -145.726 7.80214 -120.092 41.7902 -145.727 41.7901 -96.0664 GPRESSURE: 149600 218.131 32.1962 -184.296 13.0495 -79.0755 -8.21694 -79.7405 9.01298 -20.8606 PRESSAVG: 149600 11.3514 22.5185 25.4552 22.5185 -36.3349 -32.8597 25.4554 -32.8597 -12.4712 GPRESSAVG: 149600 12.1068 22.8405 23.9035 21.6772 -36.3054 -33.1434 28.6468 -34.4224 -13.2333 TIMING: 149600 CPU: 446.687, 0.00299187/step Wall: 446.687, 0.00299187/step, 4.03105 hours remaining, 203.511719 MB of memory in use. ENERGY: 149600 736.2493 2070.9683 1967.3285 122.5181 -206539.3416 17901.4036 0.0000 0.0000 34310.6163 -149430.2575 299.6431 -183740.8739 -149330.5714 298.3583 6.8526 39.3982 557734.0750 -12.4849 -12.4773 PRESSURE: 149800 -176.916 -5.67927 21.4556 -5.68007 -134.887 -33.796 21.4555 -33.7978 -123.538 GPRESSURE: 149800 -99.4444 -11.2619 -44.3148 39.206 -136.494 11.2651 105.701 -33.6887 -92.3214 PRESSAVG: 149800 32.9797 -13.1831 0.544887 -13.183 -11.1603 -26.9525 0.544797 -26.9524 -12.5764 GPRESSAVG: 149800 32.1498 -13.5692 1.80713 -14.154 -11.4151 -27.7401 -1.29349 -24.7671 -11.5189 TIMING: 149800 CPU: 447.288, 0.00300627/step Wall: 447.288, 0.00300627/step, 4.05028 hours remaining, 203.511719 MB of memory in use. ENERGY: 149800 756.2609 2048.5097 1952.2495 113.0451 -206030.2729 17674.4483 0.0000 0.0000 34231.4751 -149254.2843 298.9520 -183485.7594 -149157.0338 298.7210 -145.1137 -109.4198 557551.3697 3.0810 3.0719 PRESSURE: 150000 47.7714 -45.0573 -97.3823 -45.0575 8.03199 -117.656 -97.382 -117.655 65.7664 GPRESSURE: 150000 48.9121 -31.0018 -124.525 -32.7048 33.0421 -202.342 -106.241 -9.33414 132.854 PRESSAVG: 150000 -27.0342 46.0538 2.66424 46.0537 28.0909 -3.20254 2.66425 -3.20248 23.3902 GPRESSAVG: 150000 -26.4577 45.8499 3.13925 47.8459 29.0246 -4.45631 0.0157714 -3.76286 22.2311 TIMING: 150000 CPU: 447.887, 0.00299572/step Wall: 447.887, 0.00299572/step, 4.0359 hours remaining, 203.511719 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: 150000 726.3525 2080.6456 1963.5328 118.0552 -206213.6237 17741.5456 0.0000 0.0000 34359.5541 -149223.9378 300.0705 -183583.4919 -149126.3041 299.6250 40.5233 71.6028 556281.6365 8.1490 8.2660 PRESSURE: 150200 407.274 -36.2792 108.65 -36.2798 -9.45744 -109.034 108.65 -109.037 6.74579 GPRESSURE: 150200 399.283 -46.4635 79.6006 -95.4686 -0.551063 -222.16 55.2451 -73.6658 103.164 PRESSAVG: 150200 -19.9135 13.1649 51.9352 13.165 -40.4735 5.09212 51.9352 5.09198 24.1733 GPRESSAVG: 150200 -19.1478 12.7978 51.4004 13.2205 -40.5592 7.87541 52.4003 4.26495 23.9399 TIMING: 150200 CPU: 448.485, 0.00298918/step Wall: 448.485, 0.00298918/step, 4.02693 hours remaining, 203.511719 MB of memory in use. ENERGY: 150200 779.0425 2091.9463 1965.5085 108.5862 -206525.2992 18115.3527 0.0000 0.0000 34252.1362 -149212.7269 299.1324 -183464.8630 -149109.4803 299.4216 134.8542 167.2986 556706.2707 -12.0712 -11.9224 PRESSURE: 150400 95.495 29.7606 -189.107 29.7596 2.64787 -24.3405 -189.107 -24.3425 230.078 GPRESSURE: 150400 164.126 2.54769 -233.286 37.1562 20.7571 15.1907 -167.663 -112.245 245.904 PRESSAVG: 150400 35.1577 15.3231 -70.917 15.3231 -60.4916 0.483122 -70.917 0.483098 16.9543 GPRESSAVG: 150400 34.3883 16.4432 -70.3065 15.9209 -60.9102 0.139936 -70.5733 0.348891 18.6358 TIMING: 150400 CPU: 449.085, 0.00300178/step Wall: 449.085, 0.00300178/step, 4.04373 hours remaining, 203.511719 MB of memory in use. ENERGY: 150400 741.3020 2065.2316 1957.8814 103.2755 -206692.2451 18067.4069 0.0000 0.0000 34396.2977 -149360.8499 300.3914 -183757.1476 -149263.9128 298.7601 109.4070 143.5958 556709.5893 -2.7932 -2.6287 PRESSURE: 150600 -185.162 98.9317 5.86878 98.9318 67.1917 -152.526 5.8689 -152.524 34.9449 GPRESSURE: 150600 -138.82 -11.4534 27.901 174.789 93.4891 -166.604 -44.1975 -84.6468 65.4086 PRESSAVG: 150600 -29.0862 38.0155 -43.4248 38.0155 6.95575 -49.2302 -43.4248 -49.2301 4.38652 GPRESSAVG: 150600 -28.6943 36.7198 -43.0569 36.4621 7.2703 -48.0296 -42.3151 -48.468 4.18402 TIMING: 150600 CPU: 449.686, 0.00300356/step Wall: 449.686, 0.00300356/step, 4.04596 hours remaining, 203.511719 MB of memory in use. ENERGY: 150600 740.6468 2154.2141 1938.8265 111.9129 -206110.3344 17605.0184 0.0000 0.0000 34287.9118 -149271.8039 299.4449 -183559.7158 -149172.2649 299.5817 -27.6752 6.6927 558057.5023 -5.9146 -5.7466 PRESSURE: 150800 -233.753 -152.145 -135.9 -152.144 -119.238 -124.331 -135.9 -124.332 -321.36 GPRESSURE: 150800 -223.53 -88.564 -125.784 -149.933 -48.105 -151.135 -110.987 -191.944 -302.987 PRESSAVG: 150800 -22.0154 -17.2101 -57.0584 -17.2103 14.9813 -14.3959 -57.0584 -14.3959 -11.0877 GPRESSAVG: 150800 -22.8488 -17.6587 -56.8987 -17.0427 15.1734 -15.4224 -57.8989 -13.9235 -10.2308 TIMING: 150800 CPU: 450.291, 0.00302506/step Wall: 450.291, 0.00302506/step, 4.07476 hours remaining, 203.511719 MB of memory in use. ENERGY: 150800 756.2089 2095.9676 1939.7664 102.0847 -205966.6298 17644.7351 0.0000 0.0000 34166.7930 -149261.0742 298.3871 -183427.8672 -149165.2035 298.9813 -224.7836 -191.5407 558568.3348 -6.0406 -5.9688 PRESSURE: 151000 -110.224 103.729 -4.39602 103.73 36.131 53.4832 -4.3961 53.4835 236.512 GPRESSURE: 151000 -56.4023 79.8032 -52.1822 86.5509 57.9869 114.871 3.34915 37.7302 257.564 PRESSAVG: 151000 10.3428 -10.8694 -18.5485 -10.8693 22.3893 0.455205 -18.5485 0.45528 4.30987 GPRESSAVG: 151000 11.2517 -9.49688 -18.7802 -11.4917 21.0471 -1.33304 -18.5966 1.45278 4.74721 TIMING: 151000 CPU: 450.894, 0.003018/step Wall: 450.894, 0.003018/step, 4.06508 hours remaining, 203.511719 MB of memory in use. ENERGY: 151000 718.1875 2119.9281 1944.3338 117.6770 -206312.5574 17834.6055 0.0000 0.0000 34231.6775 -149346.1480 298.9538 -183577.8254 -149254.6998 299.1097 54.1395 86.3827 557711.4013 12.3473 12.3487 PRESSURE: 151200 -202.764 100.201 -19.9367 100.201 -83.9396 -34.1773 -19.9369 -34.1773 -119.406 GPRESSURE: 151200 -186.628 136.49 61.2522 101.218 -123.721 -78.8839 -66.6617 -36.6648 10.8635 PRESSAVG: 151200 53.3666 35.4602 -19.0773 35.4602 -29.8884 2.2454 -19.0773 2.24526 -36.1931 GPRESSAVG: 151200 53.5875 36.3848 -18.704 36.3745 -28.5867 4.76039 -18.3839 0.411943 -37.5351 TIMING: 151200 CPU: 451.491, 0.00298379/step Wall: 451.491, 0.00298379/step, 4.01883 hours remaining, 203.511719 MB of memory in use. ENERGY: 151200 763.1255 2114.1386 1964.0760 114.2588 -206591.4533 17986.9327 0.0000 0.0000 34265.3066 -149383.6151 299.2474 -183648.9217 -149285.5998 298.9966 -135.3700 -99.8287 558788.7601 -4.2383 -4.1781 PRESSURE: 151400 88.4726 -116.378 -55.2803 -116.378 42.9873 52.2388 -55.2809 52.2403 -178.652 GPRESSURE: 151400 121.359 -68.8131 -80.1135 -151.534 11.1839 -75.6282 -50.5869 60.8208 -87.8487 PRESSAVG: 151400 10.4076 6.52536 40.2137 6.5253 -41.6861 -35.4541 40.2138 -35.4542 30.8846 GPRESSAVG: 151400 9.22296 4.87694 40.4455 5.88599 -40.6221 -36.2156 39.6192 -35.5465 30.933 TIMING: 151400 CPU: 452.09, 0.00299196/step Wall: 452.09, 0.00299196/step, 4.02967 hours remaining, 203.511719 MB of memory in use. ENERGY: 151400 726.9680 2141.5845 1952.7219 99.4724 -206445.6413 18104.2459 0.0000 0.0000 34137.9249 -149282.7237 298.1350 -183420.6486 -149188.5390 299.0581 -15.7308 14.8982 558572.9054 -0.1313 -0.1554 PRESSURE: 151600 258.826 47.6381 90.1282 47.6383 47.7321 132.818 90.1272 132.819 70.492 GPRESSURE: 151600 238.673 14.8656 -12.6064 57.8374 121.748 51.413 72.8516 153.008 118.891 PRESSAVG: 151600 38.0003 -4.67083 -8.80995 -4.67074 27.3344 17.8589 -8.80984 17.859 -53.4512 GPRESSAVG: 151600 38.6447 -2.90896 -9.33491 -4.89158 25.0383 17.1233 -8.33293 18.2581 -51.8702 TIMING: 151600 CPU: 452.685, 0.00297715/step Wall: 452.685, 0.00297715/step, 4.00956 hours remaining, 203.511719 MB of memory in use. ENERGY: 151600 712.9211 2064.1503 1933.0460 100.1062 -206437.1073 18077.7102 0.0000 0.0000 34218.3292 -149330.8443 298.8372 -183549.1735 -149242.1951 298.7734 125.6833 159.7707 557840.5615 3.9612 3.9376 PRESSURE: 151800 -93.5563 -70.1742 -99.876 -70.1749 -439.604 68.4131 -99.8753 68.4136 -22.6551 GPRESSURE: 151800 -49.0597 -76.0488 -76.445 -124.516 -344.291 35.6042 -116.762 79.8079 -68.5991 PRESSAVG: 151800 25.0078 20.1933 -9.47794 20.1934 15.7916 33.8148 -9.47797 33.8147 -52.654 GPRESSAVG: 151800 24.5277 19.6851 -10.5123 20.4197 18.1119 32.9581 -10.9463 35.3527 -54.7464 TIMING: 151800 CPU: 453.282, 0.00298363/step Wall: 453.282, 0.00298363/step, 4.01813 hours remaining, 203.511719 MB of memory in use. ENERGY: 151800 713.9222 2078.6245 1964.7573 108.4650 -205917.1677 17610.5714 0.0000 0.0000 34259.6417 -149181.1858 299.1980 -183440.8274 -149082.0270 299.5450 -185.2718 -153.9833 560619.0573 -3.9515 -4.0356 PRESSURE: 152000 -64.9443 -119.265 -213.039 -119.266 58.3423 20.4983 -213.038 20.4968 -135.09 GPRESSURE: 152000 -86.8385 -148.848 -145.81 -66.0799 106.27 29.9839 -158.319 73.1381 -56.1407 PRESSAVG: 152000 0.411569 -3.68268 12.5244 -3.68264 -7.47141 37.2922 12.5244 37.292 -4.28653 GPRESSAVG: 152000 1.6191 -3.46397 12.8222 -5.61733 -9.1458 38.7539 13.3543 37.1299 -4.26534 TIMING: 152000 CPU: 453.88, 0.00299205/step Wall: 453.88, 0.00299205/step, 4.02929 hours remaining, 203.511719 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: 152000 735.8529 2114.5686 1968.6834 110.1646 -206227.4712 17883.0843 0.0000 0.0000 34125.1554 -149289.9620 298.0235 -183415.1174 -149195.2874 298.9699 -47.2306 -12.2363 559490.6466 -3.7821 -3.9307 PRESSURE: 152200 136.598 27.2041 -123.773 27.2041 13.9414 3.89995 -123.773 3.89961 -113.675 GPRESSURE: 152200 128.1 63.6747 -144.38 -0.106453 66.1336 49.8985 -83.0059 -41.7673 -49.7647 PRESSAVG: 152200 61.8933 -13.5005 -20.6878 -13.5004 -27.1953 -10.2486 -20.6879 -10.2486 -33.2455 GPRESSAVG: 152200 61.3898 -14.2603 -20.9267 -11.8146 -27.1029 -9.36977 -20.1729 -13.2958 -32.8236 TIMING: 152200 CPU: 454.483, 0.00301389/step Wall: 454.483, 0.00301389/step, 4.05854 hours remaining, 203.511719 MB of memory in use. ENERGY: 152200 725.2818 2091.8745 1974.6022 114.6032 -206202.7765 17883.4000 0.0000 0.0000 34179.6275 -149233.3873 298.4992 -183413.0148 -149128.0580 299.6808 12.2881 48.1564 558402.4353 0.4842 0.4878 LDB: ============= START OF LOAD BALANCING ============== 458.001 LDB: ============== END OF LOAD BALANCING =============== 458.001 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 458.003 LDB: ============= START OF LOAD BALANCING ============== 458.301 LDB: Largest compute 4773 load 0.032093 is 27.3% of average load 0.117768 LDB: Average compute 0.001748 is 1.5% of average load 0.117768 LDB: TIME 458.304 LOAD: AVG 0.117768 MAX 0.211146 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.164 MB LDB: TIME 458.304 LOAD: AVG 0.117768 MAX 0.211146 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.238 MB LDB: TIME 458.304 LOAD: AVG 0.117768 MAX 0.211146 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.238 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 458.306 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 458.31 PRESSURE: 152400 -104.21 -134.081 -43.2321 -134.08 58.161 -105.499 -43.2308 -105.5 -10.1829 GPRESSURE: 152400 -6.05715 -74.5518 -65.3862 -154.5 128.927 -215.009 -36.9785 -39.127 -74.4998 PRESSAVG: 152400 60.5881 -24.2469 -10.1227 -24.2469 -32.5876 -8.20895 -10.1228 -8.20887 -10.5647 GPRESSAVG: 152400 61.1546 -22.8131 -8.55029 -24.1884 -31.1103 -8.00174 -11.3347 -6.46216 -12.2892 TIMING: 152400 CPU: 455.093, 0.00305238/step Wall: 455.093, 0.00305238/step, 4.1102 hours remaining, 205.359375 MB of memory in use. ENERGY: 152400 720.1868 2073.0336 1954.7471 123.4721 -206464.7698 17815.1018 0.0000 0.0000 34255.2273 -149523.0011 299.1594 -183778.2284 -149424.6542 299.2456 -18.7440 16.1234 557588.4189 5.8119 5.9184 PRESSURE: 152600 -75.7267 -138.627 6.36119 -138.628 -193.641 15.5939 6.36134 15.5937 -84.8244 GPRESSURE: 152600 -47.6653 -117.29 49.1923 -136.908 -158.383 -39.8086 16.899 13.5294 -54.5828 PRESSAVG: 152600 -1.8508 -31.6331 -8.96719 -31.6331 -13.4965 -16.5244 -8.96711 -16.5245 -28.6828 GPRESSAVG: 152600 -2.74475 -32.3976 -9.99491 -31.323 -13.8544 -15.1201 -8.08623 -17.2344 -27.6433 TIMING: 152600 CPU: 455.696, 0.00301156/step Wall: 455.696, 0.00301156/step, 4.05507 hours remaining, 205.632812 MB of memory in use. ENERGY: 152600 753.6737 2074.0460 1955.4772 107.1822 -206356.2801 17686.1449 0.0000 0.0000 34363.8040 -149415.9521 300.1076 -183779.7561 -149322.1861 298.3716 -118.0641 -86.8770 557927.8272 -14.6767 -14.7475 PRESSURE: 152800 -71.8746 -129.409 -124.802 -129.408 -30.7517 -151.135 -124.801 -151.134 -5.55564 GPRESSURE: 152800 -51.7514 -64.9222 -156.117 -79.0811 -31.9799 -128.126 13.0719 -170.02 64.5704 PRESSAVG: 152800 26.962 -7.52944 -18.4338 -7.52937 39.6956 -46.476 -18.4337 -46.4761 -73.3576 GPRESSAVG: 152800 26.9345 -6.04467 -19.3841 -8.0299 37.989 -50.7336 -18.2797 -44.4366 -71.4272 TIMING: 152800 CPU: 456.298, 0.003011/step Wall: 456.298, 0.003011/step, 4.05414 hours remaining, 205.632812 MB of memory in use. ENERGY: 152800 818.2434 2087.2165 1947.6832 121.2843 -206805.4480 18072.6005 0.0000 0.0000 34515.8729 -149242.5472 301.4357 -183758.4201 -149145.2020 299.1915 -36.0606 -6.3870 558216.4286 -2.2333 -2.1679 PRESSURE: 153000 -214.84 -108.128 -25.0195 -108.129 -60.3918 -91.7893 -25.0191 -91.7908 -422.213 GPRESSURE: 153000 -148.537 -116.334 -53.9928 -17.8153 -68.3163 -47.7971 -39.5727 -14.0862 -378.061 PRESSAVG: 153000 -7.23555 -19.953 -22.9974 -19.9529 38.9701 -21.03 -22.9975 -21.03 -16.3757 GPRESSAVG: 153000 -6.91221 -21.8453 -21.151 -19.2347 39.1755 -20.484 -22.0041 -21.9577 -16.7579 TIMING: 153000 CPU: 456.896, 0.00299098/step Wall: 456.896, 0.00299098/step, 4.02702 hours remaining, 205.632812 MB of memory in use. ENERGY: 153000 740.2392 2066.7616 1932.1921 116.0208 -205938.5836 17454.8645 0.0000 0.0000 34537.9297 -149090.5758 301.6283 -183628.5054 -148994.1650 299.3817 -232.4816 -198.3048 557728.1099 5.1196 5.1685 PRESSURE: 153200 29.9955 -16.5915 -14.1216 -16.5915 -268.442 12.7505 -14.1216 12.7502 -170.498 GPRESSURE: 153200 9.80497 29.0498 -24.1026 -102.161 -184.513 -18.5803 -91.9658 24.092 -133.139 PRESSAVG: 153200 -16.8303 -24.3125 -35.7782 -24.3125 52.2252 5.77041 -35.7782 5.77058 9.20866 GPRESSAVG: 153200 -16.3277 -24.9143 -39.2435 -24.3631 52.0825 6.27051 -37.2524 6.41674 9.11693 TIMING: 153200 CPU: 457.492, 0.00298052/step Wall: 457.492, 0.00298052/step, 4.01277 hours remaining, 205.632812 MB of memory in use. ENERGY: 153200 756.8762 2127.4273 1944.7280 122.1813 -206317.0892 17749.2663 0.0000 0.0000 34536.2131 -149080.3970 301.6133 -183616.6101 -148992.3610 300.1024 -136.3149 -102.6155 557659.1978 14.8678 14.9572 PRESSURE: 153400 228.709 46.9606 63.7153 46.9599 -54.0116 9.32361 63.7141 9.32333 -41.4866 GPRESSURE: 153400 311.52 126.085 88.8018 3.38197 -57.3235 52.0164 29.9868 -68.6126 -29.2674 PRESSAVG: 153400 55.8659 -35.3033 -39.5138 -35.3034 -60.9624 0.101574 -39.5139 0.101557 -17.9809 GPRESSAVG: 153400 55.5824 -34.627 -36.4828 -36.9824 -60.6434 -2.31231 -39.3339 0.670879 -17.8212 TIMING: 153400 CPU: 458.089, 0.00298235/step Wall: 458.089, 0.00298235/step, 4.01508 hours remaining, 205.632812 MB of memory in use. ENERGY: 153400 737.5283 2156.2424 1978.0174 122.1993 -206595.0196 17989.1875 0.0000 0.0000 34489.2210 -149122.6236 301.2029 -183611.8447 -149028.7121 299.9744 44.4034 74.9763 556822.3270 -7.6925 -7.6274 PRESSURE: 153600 -51.3239 239.611 -106.633 239.612 -33.8735 93.7871 -106.632 93.788 -289.822 GPRESSURE: 153600 -28.5296 340.311 -218.812 224.259 11.8571 117.333 4.25496 61.7131 -261.123 PRESSAVG: 153600 63.3903 19.5268 -19.0979 19.5267 -52.8257 -17.7288 -19.0979 -17.7287 -15.4865 GPRESSAVG: 153600 64.0967 19.3659 -20.1316 19.2167 -53.0285 -14.5963 -18.8275 -19.6761 -16.005 TIMING: 153600 CPU: 458.682, 0.00296538/step Wall: 458.682, 0.00296538/step, 3.99206 hours remaining, 205.632812 MB of memory in use. ENERGY: 153600 772.2086 2037.3963 1977.2770 105.5761 -206343.8421 17809.8806 0.0000 0.0000 34523.1932 -149118.3104 301.4996 -183641.5036 -149022.8162 299.5931 -125.0064 -92.5984 557703.9144 -1.6406 -1.6456 PRESSURE: 153800 64.632 108.681 66.6746 108.683 -59.9201 9.6376 66.675 9.63698 -150.161 GPRESSURE: 153800 141.128 121.308 16.7325 169.113 -73.1066 -0.500833 -2.14727 87.8272 -124.804 PRESSAVG: 153800 1.75895 27.2278 17.5251 27.2279 3.54993 27.0219 17.5252 27.0218 28.1199 GPRESSAVG: 153800 0.939893 27.7006 16.4558 29.1931 4.11543 25.913 19.0983 28.9741 28.7628 TIMING: 153800 CPU: 459.28, 0.00299297/step Wall: 459.28, 0.00299297/step, 4.02903 hours remaining, 205.632812 MB of memory in use. ENERGY: 153800 776.5988 2095.8269 1975.9596 117.0873 -206141.1478 17853.3565 0.0000 0.0000 34198.9672 -149123.3514 298.6681 -183322.3186 -149027.1350 299.9759 -48.4829 -18.9275 558245.1078 11.1429 11.2727 PRESSURE: 154000 141.606 -0.528449 -154.929 -0.527537 -291.293 -163.422 -154.927 -163.422 192.621 GPRESSURE: 154000 134.067 -8.00108 -165.265 -53.645 -217.123 -126.55 -124.309 -145.244 217.628 PRESSAVG: 154000 49.1628 -43.1116 -48.105 -43.1116 -55.735 -38.7605 -48.105 -38.7606 7.38198 GPRESSAVG: 154000 48.7144 -43.7575 -47.2226 -44.6895 -56.6651 -39.0187 -49.5142 -38.4643 8.45909 TIMING: 154000 CPU: 459.876, 0.00297699/step Wall: 459.876, 0.00297699/step, 4.00736 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: 154000 752.4134 2040.1263 1962.7416 115.4511 -206060.2691 17722.4231 0.0000 0.0000 34141.2711 -149325.8426 298.1642 -183467.1136 -149231.3169 299.0791 14.3113 44.8574 557274.8411 0.2699 0.1695 PRESSURE: 154200 110.002 -0.195004 -53.3277 -0.195128 119.011 -46.3747 -53.3269 -46.3745 -30.4732 GPRESSURE: 154200 179.156 -45.5816 -41.5018 -8.82234 115.633 -3.39773 -108.159 -54.9913 17.7412 PRESSAVG: 154200 6.64948 -19.6123 -16.0597 -19.6123 7.45311 -74.5653 -16.0598 -74.5653 3.36609 GPRESSAVG: 154200 6.35365 -21.3985 -14.1833 -18.3631 8.55285 -71.7738 -17.8548 -75.9293 3.00535 TIMING: 154200 CPU: 460.473, 0.00298843/step Wall: 460.473, 0.00298843/step, 4.02259 hours remaining, 205.632812 MB of memory in use. ENERGY: 154200 725.9628 2103.1866 1959.1800 105.3817 -206323.9043 17747.3920 0.0000 0.0000 34380.5539 -149302.2473 300.2539 -183682.8012 -149204.9414 298.6029 66.1799 104.1768 556540.9453 5.8229 5.9706 PRESSURE: 154400 -251.782 111.57 -91.521 111.57 -172.168 107.098 -91.521 107.097 -77.0175 GPRESSURE: 154400 -201.84 97.0109 -107.294 155.531 -123.042 109.028 -13.6377 135.73 -79.9017 PRESSAVG: 154400 14.3507 -26.0996 -23.5282 -26.0995 97.3998 -39.6905 -23.5282 -39.6908 -33.9492 GPRESSAVG: 154400 14.6542 -25.3639 -25.371 -24.0751 97.7574 -39.8353 -20.813 -39.6201 -34.4309 TIMING: 154400 CPU: 461.07, 0.00298312/step Wall: 461.07, 0.00298312/step, 4.01528 hours remaining, 205.632812 MB of memory in use. ENERGY: 154400 764.0559 2109.6346 1950.1944 98.8962 -206144.7780 17827.2865 0.0000 0.0000 34125.3845 -149269.3259 298.0255 -183394.7104 -149173.7886 298.5089 -166.9890 -134.9279 559052.8383 25.9338 25.9935 PRESSURE: 154600 -235.315 -38.8845 -126.47 -38.8836 -194.891 14.9887 -126.471 14.989 -252.441 GPRESSURE: 154600 -202.301 22.8031 -202.534 -30.2833 -138.274 21.28 -94.6298 22.3744 -235.254 PRESSAVG: 154600 7.65567 -2.16186 8.51848 -2.16181 -8.84731 15.7733 8.51856 15.7733 -41.5343 GPRESSAVG: 154600 7.01315 -2.03499 11.3406 -4.51788 -8.91776 14.6136 6.5249 14.2454 -40.5695 TIMING: 154600 CPU: 461.672, 0.00301083/step Wall: 461.672, 0.00301083/step, 4.05241 hours remaining, 205.769531 MB of memory in use. ENERGY: 154600 769.3511 2105.3376 1950.8189 121.8953 -205659.1407 17363.6595 0.0000 0.0000 33963.7042 -149384.3741 296.6135 -183348.0783 -149295.4774 298.2282 -227.5489 -191.9429 558617.0871 -14.2420 -14.1580 PRESSURE: 154800 -61.0112 -174.738 87.3627 -174.736 -23.1989 48.2249 87.3613 48.2274 -204.699 GPRESSURE: 154800 -8.88673 -160.829 -39.4187 -150.771 9.77182 5.89741 113.827 132.175 -192.351 PRESSAVG: 154800 5.24249 -15.2226 -26.344 -15.2225 -15.2347 24.1782 -26.3439 24.1781 52.7205 GPRESSAVG: 154800 5.64158 -14.5057 -28.6428 -13.7489 -15.6178 22.7699 -25.92 26.9319 52.4591 TIMING: 154800 CPU: 462.273, 0.00300279/step Wall: 462.273, 0.00300279/step, 4.04142 hours remaining, 205.769531 MB of memory in use. ENERGY: 154800 742.4425 2091.0143 1962.3129 111.0862 -205985.1833 17632.7762 0.0000 0.0000 34005.5734 -149439.9778 296.9791 -183445.5512 -149347.8905 298.5865 -96.3031 -63.8220 558058.3946 14.2428 14.1610 PRESSURE: 155000 -128.446 155.87 -23.2031 155.871 -32.585 -137.762 -23.2035 -137.764 -36.3572 GPRESSURE: 155000 -83.2301 233.958 -20.1158 85.9437 -2.47779 -90.355 15.0669 -218.035 -16.6943 PRESSAVG: 155000 -38.3242 -12.5705 -16.9182 -12.5705 -56.8744 12.7385 -16.9181 12.7384 42.2304 GPRESSAVG: 155000 -38.5402 -11.0786 -15.6717 -13.4395 -55.1538 13.713 -15.978 11.7801 40.9118 TIMING: 155000 CPU: 462.868, 0.00297525/step Wall: 462.868, 0.00297525/step, 4.00419 hours remaining, 205.769531 MB of memory in use. ENERGY: 155000 794.8266 2062.2145 1958.3261 103.0473 -206566.9172 17906.4757 0.0000 0.0000 34287.4222 -149454.6049 299.4406 -183742.0271 -149353.4745 298.7439 -65.7961 -34.1341 557006.7114 -17.6561 -17.5941 PRESSURE: 155200 -155.946 -109.493 -70.865 -109.495 115.59 -62.392 -70.8647 -62.3907 188.675 GPRESSURE: 155200 -137.496 -35.1128 -120.66 -167.328 130.238 -15.8195 -47.3634 -156.451 259.184 PRESSAVG: 155200 -46.8444 55.5414 -28.8913 55.5414 42.8354 -41.1631 -28.8913 -41.1631 7.57542 GPRESSAVG: 155200 -45.9744 52.6567 -29.7975 55.6122 42.6382 -41.4212 -28.59 -42.7596 7.48022 TIMING: 155200 CPU: 463.463, 0.002978/step Wall: 463.463, 0.002978/step, 4.00772 hours remaining, 205.769531 MB of memory in use. ENERGY: 155200 755.6243 2099.4062 1935.0972 101.7950 -206300.8942 17919.1041 0.0000 0.0000 34057.3086 -149432.5587 297.4309 -183489.8674 -149323.8499 299.4177 49.4397 83.9754 555805.2966 1.1888 1.3813 PRESSURE: 155400 20.0965 62.5228 -39.4534 62.5223 -92.6273 232.936 -39.4539 232.936 -46.3868 GPRESSURE: 155400 44.653 23.7652 -40.3589 163.223 -50.6799 268.052 -49.1909 253.185 -29.8833 PRESSAVG: 155400 -3.70426 13.6752 40.7239 13.6752 -61.7929 45.1764 40.7239 45.1764 11.2226 GPRESSAVG: 155400 -4.10088 16.0039 41.1317 14.5075 -61.6881 45.2247 38.5466 45.2479 12.0461 TIMING: 155400 CPU: 464.061, 0.00298601/step Wall: 464.061, 0.00298601/step, 4.01834 hours remaining, 205.769531 MB of memory in use. ENERGY: 155400 753.7582 2054.4109 1956.1172 112.3378 -206155.3986 17659.7318 0.0000 0.0000 34116.5020 -149502.5407 297.9479 -183619.0427 -149412.5926 298.9035 -39.6392 -11.9701 556869.1918 -18.0915 -17.9143 PRESSURE: 155600 118.347 84.0585 20.9887 84.0579 76.9267 -105.396 20.988 -105.394 -41.48 GPRESSURE: 155600 181.99 81.0511 -3.5472 127.101 101.431 -90.5494 -4.94242 -113.09 -28.4531 PRESSAVG: 155600 22.0827 59.5697 -9.21566 59.5697 -6.51835 -11.1731 -9.2157 -11.173 17.6798 GPRESSAVG: 155600 21.2158 58.4498 -9.32973 60.0284 -6.76262 -11.3465 -6.08524 -9.85534 18.3858 TIMING: 155600 CPU: 464.659, 0.00299396/step Wall: 464.659, 0.00299396/step, 4.02887 hours remaining, 205.769531 MB of memory in use. ENERGY: 155600 737.1547 2099.8664 1930.9919 115.5719 -206349.7274 17953.0015 0.0000 0.0000 33987.4848 -149525.6562 296.8212 -183513.1410 -149427.6108 298.0410 51.2646 84.9892 557710.1594 11.0814 10.9463 PRESSURE: 155800 7.6313 64.9549 95.0623 64.9554 -88.3849 93.7377 95.063 93.7372 -199.007 GPRESSURE: 155800 31.4817 19.6473 64.0708 14.8916 -36.8921 94.5428 76.6643 76.3106 -168.798 PRESSAVG: 155800 22.5917 54.3616 -21.258 54.3617 -11.6774 -10.8732 -21.258 -10.8731 -55.2664 GPRESSAVG: 155800 23.6616 54.5164 -19.4126 53.4882 -11.9093 -12.183 -21.8675 -12.4425 -55.3229 TIMING: 155800 CPU: 465.256, 0.00298368/step Wall: 465.256, 0.00298368/step, 4.01487 hours remaining, 205.769531 MB of memory in use. ENERGY: 155800 734.7012 2116.3496 1923.2759 128.1884 -206447.8441 17834.5838 0.0000 0.0000 33942.6792 -149768.0659 296.4299 -183710.7452 -149669.0739 297.9030 -93.2536 -58.0696 556918.3634 -14.7840 -14.5235 PRESSURE: 156000 180.993 28.5146 -62.9994 28.5141 26.1689 66.1726 -63.0005 66.1725 58.5405 GPRESSURE: 156000 232.304 -11.5664 -20.058 55.4855 47.6811 76.32 -110.218 44.5321 97.5878 PRESSAVG: 156000 15.9178 50.6898 38.2422 50.6898 18.552 36.8692 38.2422 36.869 -10.5983 GPRESSAVG: 156000 15.4449 51.7452 36.2639 50.3295 18.1082 36.6208 38.2063 38.9345 -9.31903 TIMING: 156000 CPU: 465.853, 0.00298658/step Wall: 465.853, 0.00298658/step, 4.01861 hours remaining, 205.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 156000 725.3396 2037.5992 1954.7771 118.1741 -206807.4707 18072.2400 0.0000 0.0000 34088.3284 -149811.0124 297.7019 -183899.3408 -149721.4921 297.9182 88.5674 125.8575 556252.9601 7.9572 8.0780 PRESSURE: 156200 154.871 -65.2182 -5.93266 -65.2164 197.064 133.53 -5.93298 133.532 369.323 GPRESSURE: 156200 189.233 -108.329 38.1478 8.72803 213.265 109.073 -48.5755 180.637 416.818 PRESSAVG: 156200 7.65162 30.9418 55.0103 30.9417 -8.8991 19.2183 55.0103 19.2185 8.84396 GPRESSAVG: 156200 9.05374 29.124 54.3409 31.8867 -8.59739 20.7247 53.9628 19.3316 6.93913 TIMING: 156200 CPU: 466.451, 0.00299001/step Wall: 466.451, 0.00299001/step, 4.02306 hours remaining, 205.769531 MB of memory in use. ENERGY: 156200 722.2260 2065.3738 1937.1574 106.4054 -206793.5830 18209.2342 0.0000 0.0000 34110.0887 -149643.0975 297.8919 -183753.1862 -149550.5402 298.2078 240.4192 273.1052 554822.1664 2.5322 2.4652 LDB: ============= START OF LOAD BALANCING ============== 469.967 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 469.967 LDB: =============== DONE WITH MIGRATION ================ 469.969 LDB: ============= START OF LOAD BALANCING ============== 470.267 LDB: Largest compute 4773 load 0.030698 is 26.1% of average load 0.117797 LDB: Average compute 0.001732 is 1.5% of average load 0.117797 LDB: TIME 470.27 LOAD: AVG 0.117797 MAX 0.210668 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.875 MB LDB: TIME 470.27 LOAD: AVG 0.117797 MAX 0.210668 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.125 MB LDB: TIME 470.27 LOAD: AVG 0.117797 MAX 0.210668 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.125 MB LDB: ============== END OF LOAD BALANCING =============== 470.272 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 470.276 PRESSURE: 156400 271.024 73.8285 80.1498 73.8295 187.301 9.25859 80.1501 9.25873 -44.5717 GPRESSURE: 156400 275.083 167.924 101.219 44.753 212.571 54.9281 55.709 -62.0908 12.728 PRESSAVG: 156400 24.7931 -10.4497 -1.79493 -10.4497 -66.2461 11.8671 -1.79489 11.8671 24.4379 GPRESSAVG: 156400 23.1847 -8.97162 -1.78495 -9.67723 -64.199 11.3583 -1.02521 11.514 24.3796 TIMING: 156400 CPU: 467.06, 0.00304251/step Wall: 467.06, 0.00304251/step, 4.09353 hours remaining, 204.781250 MB of memory in use. ENERGY: 156400 766.2277 2072.9488 1921.7669 104.6066 -206979.3165 18223.5096 0.0000 0.0000 34335.2574 -149554.9996 299.8583 -183890.2570 -149455.7362 298.2056 137.9178 166.7938 557206.7727 -5.6717 -5.5449 PRESSURE: 156600 94.3778 129.374 56.3688 129.373 128.606 -221.321 56.3697 -221.319 2.2571 GPRESSURE: 156600 157.057 86.7465 51.6463 180.355 147.279 -201.758 108.527 -175.788 37.1215 PRESSAVG: 156600 47.3868 42.8296 23.6117 42.8296 32.972 -52.5838 23.6117 -52.584 -94.3597 GPRESSAVG: 156600 47.5906 41.6762 24.0071 42.113 31.35 -52.4284 24.8715 -51.985 -93.1387 TIMING: 156600 CPU: 467.655, 0.00297586/step Wall: 467.655, 0.00297586/step, 4.00368 hours remaining, 204.851562 MB of memory in use. ENERGY: 156600 752.3841 2100.2538 1945.5514 114.2510 -206678.2912 17909.5391 0.0000 0.0000 34350.6019 -149505.7098 299.9924 -183856.3117 -149411.1750 299.0142 75.0803 113.8189 556532.6828 -4.6670 -4.7327 PRESSURE: 156800 -309.84 9.05488 27.1398 9.05575 113.427 -74.9789 27.14 -74.9806 -511.067 GPRESSURE: 156800 -251.314 22.4556 85.2731 23.7549 126.352 46.6916 -29.3003 -147.783 -489.472 PRESSAVG: 156800 30.0094 -21.6409 21.1982 -21.6409 23.231 -20.972 21.1982 -20.9721 -12.0273 GPRESSAVG: 156800 31.0786 -20.9503 22.5155 -22.1305 23.426 -20.2764 17.7356 -21.9738 -13.3261 TIMING: 156800 CPU: 468.253, 0.00299035/step Wall: 468.253, 0.00299035/step, 4.02302 hours remaining, 204.851562 MB of memory in use. ENERGY: 156800 783.1557 2121.2287 1915.1837 114.1722 -205821.9960 17302.0829 0.0000 0.0000 34193.5320 -149392.6409 298.6206 -183586.1728 -149299.7601 299.0526 -235.8265 -204.8113 558016.6562 13.7377 13.7262 PRESSURE: 157000 -219.235 115.002 -4.18432 115.004 -244.029 122.036 -4.1847 122.037 -33.989 GPRESSURE: 157000 -169.896 66.7708 -57.1531 27.1896 -245.475 164.433 -6.95732 148.086 5.51411 PRESSAVG: 157000 -67.1089 -31.8647 23.6168 -31.8646 58.0171 -18.8775 23.6168 -18.8776 -8.54849 GPRESSAVG: 157000 -68.0844 -31.7651 23.61 -31.4528 57.7357 -19.2971 25.6708 -17.6354 -7.85183 TIMING: 157000 CPU: 468.855, 0.00300712/step Wall: 468.855, 0.00300712/step, 4.04541 hours remaining, 204.851562 MB of memory in use. ENERGY: 157000 769.8778 2141.2522 1940.3816 110.1779 -206048.1235 17604.5718 0.0000 0.0000 34102.7609 -149379.1013 297.8279 -183481.8622 -149278.4166 298.5429 -165.7512 -136.6190 557078.3583 -5.8801 -6.0668 PRESSURE: 157200 -51.3412 17.7975 122.484 17.7969 -369.642 -95.718 122.484 -95.7187 -66.1484 GPRESSURE: 157200 21.1629 -33.4885 151.706 7.63047 -318.592 -165.612 129.877 5.13514 -96.8387 PRESSAVG: 157200 46.786 9.87214 64.2831 9.8721 -60.5118 20.0507 64.2831 20.0507 14.4271 GPRESSAVG: 157200 46.3572 10.3343 63.9506 10.7976 -59.6465 20.8881 63.4603 18.7873 14.3168 TIMING: 157200 CPU: 469.454, 0.00299468/step Wall: 469.454, 0.00299468/step, 4.02851 hours remaining, 204.851562 MB of memory in use. ENERGY: 157200 787.8870 2155.3226 1948.6453 115.1447 -206412.9620 17647.1973 0.0000 0.0000 34248.1378 -149510.6274 299.0975 -183758.7651 -149415.9001 299.1973 -162.3772 -131.4227 556978.5295 0.2338 0.3425 PRESSURE: 157400 -35.3351 7.31189 120.749 7.31179 -20.6457 108.149 120.747 108.149 -200.813 GPRESSURE: 157400 25.3741 36.2066 73.8392 29.18 -1.28978 110.139 101.383 62.3659 -196.473 PRESSAVG: 157400 15.2005 -1.06891 3.75621 -1.06901 1.5971 -25.877 3.75621 -25.8769 -13.0596 GPRESSAVG: 157400 16.728 -0.0801936 2.91754 -1.42143 0.600906 -24.8577 4.00602 -25.4209 -13.0747 TIMING: 157400 CPU: 470.055, 0.00300542/step Wall: 470.055, 0.00300542/step, 4.04279 hours remaining, 204.851562 MB of memory in use. ENERGY: 157400 739.8438 2105.4626 1964.3307 122.0867 -206273.3358 17687.8418 0.0000 0.0000 34239.0293 -149414.7409 299.0180 -183653.7702 -149318.2349 298.7327 -85.5978 -57.4630 556977.2625 1.2460 1.4181 PRESSURE: 157600 199.334 175.161 12.8724 175.161 -368.689 98.3563 12.8733 98.358 -268.49 GPRESSURE: 157600 185.462 120.098 -77.9425 183.32 -322.801 111.783 35.532 49.378 -209.966 PRESSAVG: 157600 12.626 -30.0724 20.2229 -30.0723 -39.4392 39.4688 20.2229 39.4688 25.0954 GPRESSAVG: 157600 12.9667 -31.2743 21.549 -30.3724 -40.0419 37.1925 19.3264 40.4744 25.4458 TIMING: 157600 CPU: 470.655, 0.00300075/step Wall: 470.655, 0.00300075/step, 4.03635 hours remaining, 204.851562 MB of memory in use. ENERGY: 157600 747.1194 2102.6740 1972.0931 119.4503 -206388.9477 17707.4732 0.0000 0.0000 34346.0924 -149394.0453 299.9530 -183740.1377 -149294.6973 300.1783 -145.9484 -115.7681 557495.8122 -0.5726 -0.5431 PRESSURE: 157800 -79.8061 80.5926 12.3651 80.593 -35.5848 -49.7481 12.3644 -49.7487 -145.509 GPRESSURE: 157800 -39.0658 42.3049 11.0042 -5.21308 25.0672 -39.7138 86.7306 -97.7225 -135.298 PRESSAVG: 157800 -17.7981 -24.4802 20.9666 -24.4801 -63.7511 56.7621 20.9667 56.7622 23.6623 GPRESSAVG: 157800 -18.442 -24.4783 20.8387 -24.9603 -62.3319 56.3992 21.1616 56.9636 23.7615 TIMING: 157800 CPU: 471.255, 0.00300331/step Wall: 471.255, 0.00300331/step, 4.03962 hours remaining, 204.851562 MB of memory in use. ENERGY: 157800 736.6327 2060.2073 1934.2166 103.2963 -206012.1694 17681.9546 0.0000 0.0000 34148.7104 -149347.1515 298.2292 -183495.8619 -149258.2989 299.1611 -86.9666 -49.7656 557120.1257 -19.2956 -19.0042 PRESSURE: 158000 -264.324 5.70109 18.7875 5.69978 80.2069 -66.3031 18.7868 -66.3004 -256.293 GPRESSURE: 158000 -242.56 43.6279 22.2133 37.1044 69.7656 41.7396 46.2829 -104.552 -178.788 PRESSAVG: 158000 -43.1594 0.264997 26.7024 0.264991 22.5213 -34.5908 26.7024 -34.5907 27.6483 GPRESSAVG: 158000 -43.3257 -0.552775 25.3892 0.751894 20.951 -34.4028 25.8314 -35.4956 29.4801 TIMING: 158000 CPU: 471.858, 0.00301039/step Wall: 471.858, 0.00301039/step, 4.04898 hours remaining, 204.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 158000 733.2208 2076.7944 1941.2745 115.5542 -205940.6137 17557.6197 0.0000 0.0000 34083.8881 -149432.2619 297.6631 -183516.1501 -149336.2926 298.7178 -146.8034 -117.1942 557461.4233 2.3367 2.3684 PRESSURE: 158200 -177.68 99.6823 -80.2985 99.6834 -64.2167 -162.218 -80.298 -162.216 -36.6081 GPRESSURE: 158200 -143.355 116.277 -11.6681 105.887 -42.1839 -117.51 -107.721 -220.51 -4.79285 PRESSAVG: 158200 14.7977 20.2229 -33.2276 20.2229 -43.0765 -60.4757 -33.2275 -60.4756 14.122 GPRESSAVG: 158200 14.3014 21.289 -33.1979 20.1514 -41.2744 -60.85 -31.161 -59.8894 13.2044 TIMING: 158200 CPU: 472.455, 0.00298792/step Wall: 472.455, 0.00298792/step, 4.01858 hours remaining, 204.851562 MB of memory in use. ENERGY: 158200 736.4472 2048.4934 1926.2399 117.9318 -205986.1973 17641.3901 0.0000 0.0000 34082.8671 -149432.8278 297.6542 -183515.6950 -149342.2382 297.9661 -92.8350 -63.4439 557279.8911 -4.7189 -4.5895 PRESSURE: 158400 -210.036 31.4448 125.968 31.4449 -144.833 16.5758 125.968 16.5771 -137.461 GPRESSURE: 158400 -208.029 91.9254 116.408 -26.9041 -99.5451 20.1809 117.91 -85.2534 -75.0657 PRESSAVG: 158400 12.324 61.6664 43.4491 61.6665 -25.7198 -32.2295 43.449 -32.2295 37.504 GPRESSAVG: 158400 11.7683 60.4943 43.2013 62.1478 -24.9874 -32.5708 43.8795 -30.3781 36.9337 TIMING: 158400 CPU: 473.053, 0.00298889/step Wall: 473.053, 0.00298889/step, 4.01973 hours remaining, 204.851562 MB of memory in use. ENERGY: 158400 720.3690 2063.6575 1949.2990 120.5459 -205826.4265 17476.9252 0.0000 0.0000 34043.5130 -149452.1170 297.3105 -183495.6299 -149353.7851 297.9672 -164.1102 -127.5465 556481.7541 8.0361 7.9048 PRESSURE: 158600 -12.5833 73.3656 -98.7578 73.3666 -73.4231 -146.203 -98.7568 -146.202 -69.0198 GPRESSURE: 158600 14.4778 -65.9842 -125.753 109.22 -91.7542 -188.287 -56.4764 -148.192 25.4127 PRESSAVG: 158600 11.197 -0.81609 4.27266 -0.816066 15.7977 35.4173 4.27269 35.4173 6.87564 GPRESSAVG: 158600 10.8183 -0.645949 5.81514 -1.62045 15.3286 36.8411 3.29276 32.0178 7.99925 TIMING: 158600 CPU: 473.658, 0.00302506/step Wall: 473.658, 0.00302506/step, 4.06821 hours remaining, 204.851562 MB of memory in use. ENERGY: 158600 731.3414 2047.4354 1953.1255 113.8165 -206173.9807 17766.5771 0.0000 0.0000 34223.2463 -149338.4386 298.8801 -183561.6848 -149226.5384 298.3690 -51.6754 -17.2879 556235.0431 11.2901 11.3821 PRESSURE: 158800 56.6698 54.7217 53.8764 54.7213 -179.821 24.8363 53.8773 24.8363 -54.4679 GPRESSURE: 158800 59.8053 40.8378 -7.4782 96.4832 -156.03 27.565 56.9537 28.2357 7.93675 PRESSAVG: 158800 -8.13561 34.0932 -4.79757 34.0932 -46.7249 8.94546 -4.79765 8.94549 28.4336 GPRESSAVG: 158800 -7.59738 34.5125 -5.63106 33.2188 -47.2652 8.38114 -6.17854 11.465 28.4507 TIMING: 158800 CPU: 474.262, 0.00301999/step Wall: 474.262, 0.00301999/step, 4.06122 hours remaining, 204.851562 MB of memory in use. ENERGY: 158800 718.2153 2116.5874 1972.1766 103.7720 -206032.9174 17658.7077 0.0000 0.0000 34008.2813 -149455.1770 297.0028 -183463.4584 -149364.0998 298.6103 -59.2064 -29.4294 557160.6725 -8.8090 -8.8040 PRESSURE: 159000 -144.124 111.15 9.01088 111.151 -54.7242 -48.0144 9.0105 -48.0144 -375.71 GPRESSURE: 159000 -104.56 100.013 4.34843 144.977 -26.6967 -56.7104 1.3845 -113.917 -342.1 PRESSAVG: 159000 -47.9509 25.4685 -49.3042 25.4686 61.6111 25.2381 -49.3042 25.2381 -22.1802 GPRESSAVG: 159000 -47.9246 23.5693 -48.6649 27.681 62.5702 24.4309 -48.82 25.6819 -23.3126 TIMING: 159000 CPU: 474.863, 0.00300739/step Wall: 474.863, 0.00300739/step, 4.04411 hours remaining, 204.917969 MB of memory in use. ENERGY: 159000 741.5205 2053.8184 1926.4896 101.0750 -206137.2658 17598.0027 0.0000 0.0000 34250.5838 -149465.7758 299.1189 -183716.3596 -149364.6322 298.6245 -191.5196 -157.7856 557207.2633 -2.8400 -2.8890 PRESSURE: 159200 53.8893 11.3772 -22.4016 11.3763 104.665 -112.701 -22.4032 -112.7 -64.0827 GPRESSURE: 159200 77.5151 16.1092 47.7388 98.8971 131.005 -105.775 -48.3016 -143.507 3.03677 PRESSAVG: 159200 25.1605 29.7157 -18.9449 29.7157 -33.6178 -6.16717 -18.945 -6.16712 -17.0392 GPRESSAVG: 159200 25.1711 32.0693 -19.8107 29.0574 -33.472 -4.86469 -17.4842 -7.2504 -16.8195 TIMING: 159200 CPU: 475.46, 0.00298524/step Wall: 475.46, 0.00298524/step, 4.01415 hours remaining, 204.917969 MB of memory in use. ENERGY: 159200 754.9866 2035.9167 1948.9569 113.9096 -206371.1098 17937.3823 0.0000 0.0000 34167.6877 -149412.2701 298.3949 -183579.9578 -149311.4248 298.3617 31.4906 70.5190 557737.0141 -8.4988 -8.3735 PRESSURE: 159400 96.6529 88.5509 -16.5231 88.5525 -52.419 3.57988 -16.5231 3.58124 144.752 GPRESSURE: 159400 169.343 87.8763 -46.3861 89.1932 16.7075 -15.8397 24.558 -29.3506 109.433 PRESSAVG: 159400 50.5388 -11.397 18.7126 -11.397 -71.0432 -55.2397 18.7126 -55.2397 -0.909717 GPRESSAVG: 159400 50.706 -12.6908 19.4708 -11.9958 -71.2509 -52.7738 18.9747 -55.6541 -1.26113 TIMING: 159400 CPU: 476.067, 0.00303423/step Wall: 476.067, 0.00303423/step, 4.07986 hours remaining, 204.917969 MB of memory in use. ENERGY: 159400 743.4475 2023.0046 1953.8463 114.8141 -206540.0432 18121.5413 0.0000 0.0000 34249.3257 -149334.0638 299.1079 -183583.3895 -149238.5522 298.3633 62.9953 98.4943 556916.8148 -7.1380 -7.2687 PRESSURE: 159600 137.988 93.4341 129.329 93.4358 172.579 -110.273 129.328 -110.274 -101.045 GPRESSURE: 159600 114.794 148.472 100.563 77.9338 167.034 -100.074 85.1443 -50.4302 14.5531 PRESSAVG: 159600 -60.7312 -37.0317 -11.8154 -37.0318 -2.03562 -70.6306 -11.8154 -70.6305 51.4941 GPRESSAVG: 159600 -61.5603 -36.1845 -10.4619 -36.7788 -0.882188 -72.6444 -13.9352 -69.8662 51.4743 TIMING: 159600 CPU: 476.67, 0.00301311/step Wall: 476.67, 0.00301311/step, 4.05129 hours remaining, 204.917969 MB of memory in use. ENERGY: 159600 747.8550 2059.6605 1971.2975 114.2818 -206735.5056 18098.2367 0.0000 0.0000 34323.3943 -149420.7799 299.7547 -183744.1742 -149322.3110 298.5313 69.8406 98.7938 557415.6432 -3.7576 -3.6561 PRESSURE: 159800 319.214 -175.309 105.51 -175.308 170.064 -178.694 105.51 -178.693 146.824 GPRESSURE: 159800 349.308 -196.327 158 -195.793 197.202 -190.849 64.8457 -105.276 194.208 PRESSAVG: 159800 -31.6275 -1.24702 -13.5751 -1.24701 -51.3634 13.267 -13.5752 13.2669 45.1451 GPRESSAVG: 159800 -30.8587 -0.849068 -14.5388 -1.11586 -52.5195 12.343 -11.7418 13.1715 46.3536 TIMING: 159800 CPU: 477.272, 0.00300935/step Wall: 477.272, 0.00300935/step, 4.04607 hours remaining, 204.917969 MB of memory in use. ENERGY: 159800 745.9945 2087.3059 1955.9416 110.9663 -206780.5160 18288.4556 0.0000 0.0000 34108.5119 -149483.3403 297.8781 -183591.8521 -149390.7580 297.9421 212.0342 246.9062 558290.2958 -12.6152 -12.3415 PRESSURE: 160000 267.292 -89.5311 105.082 -89.5315 -52.1219 -87.653 105.081 -87.6522 448.874 GPRESSURE: 160000 292.954 -122.193 34.2737 -95.8384 -9.92597 -45.2941 197.377 -31.4025 485.399 PRESSAVG: 160000 -60.1989 -32.1494 -9.88518 -32.1494 -34.5976 10.2279 -9.88515 10.228 69.4145 GPRESSAVG: 160000 -60.7388 -32.7741 -10.908 -33.8414 -33.4019 10.6741 -9.35304 10.5224 68.7005 TIMING: 160000 CPU: 477.876, 0.00301848/step Wall: 477.876, 0.00301848/step, 4.05818 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: 160000 729.0940 2107.9791 1923.0872 109.8167 -206602.4771 18152.2717 0.0000 0.0000 34048.3854 -149531.8431 297.3530 -183580.2284 -149439.9521 298.0704 221.3480 256.1424 556330.4124 -8.4607 -8.4801 PRESSURE: 160200 69.104 81.7564 20.7902 81.7567 -36.915 39.4334 20.7919 39.4333 212.145 GPRESSURE: 160200 77.0589 68.4987 15.2483 91.7314 -25.5787 56.0803 8.80166 90.9087 302.326 PRESSAVG: 160200 0.744531 36.2829 -8.09563 36.2828 -57.9328 8.74851 -8.09558 8.74846 101.586 GPRESSAVG: 160200 1.10105 36.3089 -7.85806 38.0737 -57.5335 8.55985 -10.4111 8.96658 101.014 TIMING: 160200 CPU: 478.477, 0.00300519/step Wall: 478.477, 0.00300519/step, 4.04014 hours remaining, 204.917969 MB of memory in use. ENERGY: 160200 722.2458 2134.7039 1940.7839 113.4106 -206646.6810 17901.6983 0.0000 0.0000 34248.5504 -149585.2883 299.1011 -183833.8386 -149494.7291 298.3181 81.4445 117.9353 557035.9731 14.7993 14.8607 LDB: ============= START OF LOAD BALANCING ============== 481.994 LDB: ============== END OF LOAD BALANCING =============== 481.994 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 481.996 LDB: ============= START OF LOAD BALANCING ============== 482.296 LDB: Largest compute 4773 load 0.031342 is 26.6% of average load 0.117777 LDB: Average compute 0.001738 is 1.5% of average load 0.117777 LDB: TIME 482.298 LOAD: AVG 0.117777 MAX 0.210837 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.008 MB LDB: TIME 482.299 LOAD: AVG 0.117777 MAX 0.210837 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.18 MB LDB: TIME 482.299 LOAD: AVG 0.117777 MAX 0.210837 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.18 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 482.301 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 482.305 PRESSURE: 160400 -156.03 36.5727 1.62093 36.5722 36.1186 123.058 1.62285 123.06 -48.7332 GPRESSURE: 160400 -125.273 19.3081 37.0579 71.856 77.4978 104.369 9.92102 152.112 -7.6686 PRESSAVG: 160400 -17.2176 -13.4073 10.3467 -13.4073 -42.8959 70.0403 10.3467 70.0403 52.4065 GPRESSAVG: 160400 -17.3329 -13.6381 11.2029 -13.8794 -44.8735 71.2342 13.7894 69.2096 53.9574 TIMING: 160400 CPU: 479.088, 0.0030588/step Wall: 479.088, 0.0030588/step, 4.11204 hours remaining, 202.945312 MB of memory in use. ENERGY: 160400 720.0065 2049.3836 1947.9967 123.9769 -206262.2584 17670.9383 0.0000 0.0000 34247.6748 -149502.2816 299.0935 -183749.9564 -149404.1629 298.5617 -56.2149 -18.4814 557878.3252 -2.5690 -2.7497 PRESSURE: 160600 -26.7948 -73.614 -87.8775 -73.6143 19.5436 123.853 -87.8768 123.853 -126.948 GPRESSURE: 160600 36.7142 -87.1623 -117.7 -73.831 16.4165 62.3866 -53.3817 154.85 -73.261 PRESSAVG: 160600 -48.6859 48.8079 -32.4024 48.8078 -2.5383 12.9414 -32.4024 12.9414 -0.949678 GPRESSAVG: 160600 -48.1552 48.892 -31.7788 47.9481 -2.18507 11.4752 -34.2189 13.4477 -2.475 TIMING: 160600 CPU: 479.692, 0.00301851/step Wall: 479.692, 0.00301851/step, 4.05771 hours remaining, 203.148438 MB of memory in use. ENERGY: 160600 742.4915 2037.6808 1951.4204 106.0384 -205903.3410 17751.0426 0.0000 0.0000 34030.9431 -149283.7243 297.2007 -183314.6674 -149184.1939 298.8260 -44.7329 -6.7101 558483.2591 -17.3913 -17.6051 PRESSURE: 160800 387.826 -106.772 -78.5408 -106.773 -182.476 53.4507 -78.5405 53.4499 113.422 GPRESSURE: 160800 354.204 -75.2077 -53.9065 -67.9019 -115.282 92.7372 -30.0071 25.2426 180.321 PRESSAVG: 160800 25.357 3.21091 -21.6961 3.21092 -38.1745 25.7291 -21.6961 25.7291 11.6614 GPRESSAVG: 160800 24.8058 4.39594 -23.4482 4.0434 -38.0041 23.1014 -20.8061 26.0388 12.0461 TIMING: 160800 CPU: 480.294, 0.00301034/step Wall: 480.294, 0.00301034/step, 4.04657 hours remaining, 203.148438 MB of memory in use. ENERGY: 160800 716.5515 2070.6388 1926.8174 119.9623 -206432.1871 18008.7081 0.0000 0.0000 34148.2628 -149441.2463 298.2253 -183589.5090 -149345.7809 298.4494 106.2569 139.7479 557094.6007 -0.3854 -0.3841 PRESSURE: 161000 220.469 -195.798 -34.7854 -195.797 77.7012 242.144 -34.7857 242.146 140.293 GPRESSURE: 161000 191.667 -135.232 -11.4257 -184.434 217.749 216.022 -42.8962 280.91 123.454 PRESSAVG: 161000 -23.0711 22.1053 7.10447 22.1053 21.7077 40.6486 7.10442 40.6486 22.1475 GPRESSAVG: 161000 -23.1989 21.0445 9.01245 21.8523 21.0134 42.9011 6.14991 40.1137 22.8397 TIMING: 161000 CPU: 480.895, 0.00300417/step Wall: 480.895, 0.00300417/step, 4.03811 hours remaining, 203.148438 MB of memory in use. ENERGY: 161000 724.3193 2109.3825 1919.4731 104.3966 -206470.2488 18010.2615 0.0000 0.0000 34211.2658 -149391.1500 298.7755 -183602.4158 -149292.1189 298.9132 146.1543 177.6230 556452.1209 6.9280 6.8847 PRESSURE: 161200 104.483 129.31 146.372 129.31 30.0286 -70.3489 146.372 -70.3474 154.33 GPRESSURE: 161200 66.1958 127.242 189.065 148.239 99.1828 -52.3811 153.563 -82.4702 216.558 PRESSAVG: 161200 5.37918 -13.4737 8.6818 -13.4738 55.4182 -5.54095 8.68174 -5.54095 -52.341 GPRESSAVG: 161200 6.58047 -13.1137 7.51819 -12.2367 55.1066 -6.3445 6.60691 -4.60098 -53.4385 TIMING: 161200 CPU: 481.498, 0.00301658/step Wall: 481.498, 0.00301658/step, 4.05462 hours remaining, 203.148438 MB of memory in use. ENERGY: 161200 726.5741 2038.6949 1950.4389 105.9139 -206672.4712 17916.4145 0.0000 0.0000 34360.7914 -149573.6435 300.0813 -183934.4349 -149481.0733 299.0068 96.2807 127.3121 555784.9743 2.8188 2.7495 PRESSURE: 161400 -24.6137 30.2917 -1.83505 30.2919 -235.163 -112.871 -1.83548 -112.87 137.041 GPRESSURE: 161400 -27.2212 128.141 -3.95287 -37.0253 -152.207 -147.456 69.9364 -97.2979 155.532 PRESSAVG: 161400 -2.92882 40.6519 1.88106 40.652 2.73295 -6.13828 1.88097 -6.13818 -3.64709 GPRESSAVG: 161400 -3.49934 38.2901 1.66409 41.0873 3.42828 -3.99135 3.80406 -7.93422 -3.58677 TIMING: 161400 CPU: 482.104, 0.00302767/step Wall: 482.104, 0.00302767/step, 4.06935 hours remaining, 203.148438 MB of memory in use. ENERGY: 161400 747.5062 2115.0219 1966.6834 112.3640 -206479.3316 17792.7738 0.0000 0.0000 34169.2652 -149575.7171 298.4087 -183744.9823 -149481.5574 298.5198 -40.9120 -7.9654 557187.1661 -1.2810 -1.2193 PRESSURE: 161600 -2.89242 97.8563 106.153 97.8564 -14.7304 143.893 106.151 143.892 -122.738 GPRESSURE: 161600 34.3216 49.7857 136.154 54.7773 10.4463 178.918 104.306 75.6845 -93.1497 PRESSAVG: 161600 -41.859 41.5366 -11.7386 41.5366 42.5937 -6.00768 -11.7386 -6.0076 -11.172 GPRESSAVG: 161600 -41.4301 42.1398 -12.2502 41.2146 41.6215 -10.8616 -12.0613 -3.71241 -9.72191 TIMING: 161600 CPU: 482.699, 0.00297461/step Wall: 482.699, 0.00297461/step, 3.99787 hours remaining, 203.148438 MB of memory in use. ENERGY: 161600 763.8987 2077.1833 1979.5705 110.3265 -206270.8805 17840.8954 0.0000 0.0000 34009.3104 -149489.6957 297.0118 -183499.0061 -149400.2936 298.0087 -46.7871 -16.1273 558890.8470 -3.4791 -3.1768 PRESSURE: 161800 141.027 92.5664 28.905 92.5662 -27.8834 -15.6802 28.9049 -15.6808 -125.525 GPRESSURE: 161800 180.636 124.607 72.6956 -11.1723 -0.6729 38.7691 66.6305 -62.964 -96.919 PRESSAVG: 161800 -44.7724 -44.219 -60.7498 -44.219 26.7371 39.1807 -60.7498 39.1808 2.83168 GPRESSAVG: 161800 -43.9176 -43.3816 -61.2801 -44.7865 26.9705 41.0507 -59.1443 37.8772 1.61616 TIMING: 161800 CPU: 483.293, 0.00296993/step Wall: 483.293, 0.00296993/step, 3.99143 hours remaining, 203.148438 MB of memory in use. ENERGY: 161800 732.9413 2145.9765 1948.6321 114.0731 -206432.5956 17754.4172 0.0000 0.0000 34160.1611 -149576.3941 298.3292 -183736.5553 -149481.8783 298.3711 -4.1271 27.6815 557798.1758 -5.0679 -5.1103 PRESSURE: 162000 -113.371 -10.9177 19.2887 -10.9174 -167.795 5.91672 19.288 5.91701 -213.08 GPRESSURE: 162000 -45.4613 59.046 -20.2269 -33.5742 -163.276 -11.6128 -34.4087 31.4657 -186.322 PRESSAVG: 162000 -4.57627 31.4264 -55.6491 31.4264 33.5074 0.288453 -55.649 0.28844 -58.235 GPRESSAVG: 162000 -5.19684 31.1932 -54.1532 29.4798 33.5309 0.395678 -57.0496 -0.493692 -57.4647 TIMING: 162000 CPU: 483.897, 0.0030209/step Wall: 483.897, 0.0030209/step, 4.05975 hours remaining, 203.148438 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: 162000 790.0693 2035.3277 1936.1141 101.4754 -206031.9861 17524.2820 0.0000 0.0000 34106.2407 -149538.4769 297.8583 -183644.7176 -149440.7449 298.9925 -164.7490 -131.6864 555501.8555 -9.7679 -9.7102 PRESSURE: 162200 6.84747 -82.5421 -96.1761 -82.5435 -63.3904 -34.2382 -96.1765 -34.2377 -15.8546 GPRESSURE: 162200 49.0125 -86.2288 -87.1949 -37.6494 6.19072 79.59 -32.0623 -123.631 -25.042 PRESSAVG: 162200 -7.05132 -14.967 36.6826 -14.9671 21.5481 -12.5988 36.6826 -12.5987 -11.7559 GPRESSAVG: 162200 -7.33747 -15.8814 34.8185 -13.3758 21.7319 -12.3082 37.8966 -10.7646 -11.2258 TIMING: 162200 CPU: 484.502, 0.00302647/step Wall: 484.502, 0.00302647/step, 4.06707 hours remaining, 203.148438 MB of memory in use. ENERGY: 162200 764.3316 2108.8127 1948.5405 105.4646 -206438.7372 17761.6242 0.0000 0.0000 34158.0308 -149591.9327 298.3106 -183749.9635 -149495.6315 298.7680 -24.1325 10.0538 556095.7378 0.9136 1.0562 PRESSURE: 162400 -74.7252 64.1129 -37.7249 64.1123 -170.492 72.3941 -37.7255 72.3934 -4.05037 GPRESSURE: 162400 -40.1137 48.9266 8.47689 48.7686 -161.571 109.743 -138.337 72.2787 62.4107 PRESSAVG: 162400 -20.6473 -25.9629 -30.8786 -25.9629 41.725 54.7205 -30.8786 54.7205 -39.2718 GPRESSAVG: 162400 -19.2779 -25.7971 -30.4431 -25.6836 41.8366 54.0836 -31.531 54.0162 -40.3138 TIMING: 162400 CPU: 485.105, 0.00301192/step Wall: 485.105, 0.00301192/step, 4.04735 hours remaining, 203.175781 MB of memory in use. ENERGY: 162400 764.7236 2071.1583 1947.2923 114.5491 -206515.4558 17931.1532 0.0000 0.0000 34017.4072 -149669.1722 297.0825 -183686.5794 -149570.4631 298.3799 -83.0893 -46.4246 557316.4820 -6.0647 -5.9183 PRESSURE: 162600 30.2027 -49.3733 -149.235 -49.3717 -242.844 72.1313 -149.235 72.1298 -347.292 GPRESSURE: 162600 -6.35402 -19.8131 -38.3154 5.82212 -212.943 84.0355 -118.634 27.5474 -246.807 PRESSAVG: 162600 54.3468 -17.5906 -49.0926 -17.5905 -23.1728 85.884 -49.0926 85.8841 25.551 GPRESSAVG: 162600 52.95 -18.2295 -45.9703 -15.8532 -21.9578 86.2757 -50.6247 86.1674 25.8824 TIMING: 162600 CPU: 485.708, 0.00301948/step Wall: 485.708, 0.00301948/step, 4.05734 hours remaining, 203.175781 MB of memory in use. ENERGY: 162600 719.9200 2111.9519 1920.0083 119.3253 -206074.2230 17556.5307 0.0000 0.0000 34046.8500 -149599.6368 297.3396 -183646.4867 -149502.3297 298.0700 -186.6444 -155.3679 558297.2586 18.9083 18.9582 PRESSURE: 162800 -111.676 -81.3232 -38.393 -81.3226 206.711 150.073 -38.3922 150.073 163.455 GPRESSURE: 162800 -26.902 -64.2585 4.01081 -93.2053 181.539 138.776 -80.697 91.2071 201.675 PRESSAVG: 162800 25.5155 32.3979 -3.95075 32.3978 -36.7451 36.0335 -3.95072 36.0335 -63.4542 GPRESSAVG: 162800 27.2771 33.0231 -6.67325 31.847 -38.4805 34.7738 -2.28031 35.5585 -63.2711 TIMING: 162800 CPU: 486.307, 0.00299354/step Wall: 486.307, 0.00299354/step, 4.02232 hours remaining, 203.175781 MB of memory in use. ENERGY: 162800 741.5385 2085.9534 1939.1185 116.0871 -206732.6377 18025.6909 0.0000 0.0000 34191.0175 -149633.2319 298.5987 -183824.2494 -149540.3917 297.5243 86.1631 118.7707 557070.5601 -24.8946 -24.8248 PRESSURE: 163000 261.237 -68.3219 53.3794 -68.3223 -19.5292 -184.392 53.3792 -184.392 84.9838 GPRESSURE: 163000 230.512 -49.4772 -9.05274 -67.0122 84.9506 -140.872 91.4054 -147.23 105.702 PRESSAVG: 163000 27.2344 16.8337 52.8867 16.8336 6.98671 -6.05494 52.8867 -6.0549 -45.2681 GPRESSAVG: 163000 26.3849 17.6273 55.9031 15.221 8.6981 -2.48801 50.5562 -7.48116 -45.7724 TIMING: 163000 CPU: 486.905, 0.00299042/step Wall: 486.905, 0.00299042/step, 4.01796 hours remaining, 203.175781 MB of memory in use. ENERGY: 163000 737.8793 2108.3468 1942.6461 115.4338 -206732.3676 18097.2808 0.0000 0.0000 34264.3324 -149466.4485 299.2389 -183730.7808 -149366.3677 298.6012 108.8971 140.3880 556716.2517 -3.6823 -3.5631 PRESSURE: 163200 9.06109 108.627 -14.9617 108.628 -90.3868 122.339 -14.9614 122.339 -123.41 GPRESSURE: 163200 25.7804 117.021 -65.0299 126.204 -47.1135 190.179 -8.94013 5.48976 -77.6734 PRESSAVG: 163200 42.1133 76.5752 -25.7216 76.5752 -2.42041 -11.2033 -25.7215 -11.2033 -16.9387 GPRESSAVG: 163200 42.4707 77.6331 -27.7828 75.33 -3.19064 -13.096 -24.8926 -11.7132 -16.5716 TIMING: 163200 CPU: 487.501, 0.00297872/step Wall: 487.501, 0.00297872/step, 4.00208 hours remaining, 203.175781 MB of memory in use. ENERGY: 163200 787.0490 2102.8847 1945.9825 107.0797 -206284.7770 17703.3502 0.0000 0.0000 34049.6075 -149588.8235 297.3637 -183638.4310 -149486.3376 298.7469 -68.2453 -33.0022 556906.5325 7.5847 7.5695 PRESSURE: 163400 393.377 11.8516 -117.809 11.8517 -168.827 0.8517 -117.809 0.853453 -125.922 GPRESSURE: 163400 427.841 -74.8192 -123.732 43.9369 -137.629 21.613 -143.284 46.9281 -91.3337 PRESSAVG: 163400 16.7941 23.979 -28.4614 23.979 5.46999 41.6064 -28.4613 41.6065 -17.4074 GPRESSAVG: 163400 15.4582 22.4417 -26.7692 25.6085 6.71413 39.644 -28.2768 42.0662 -17.8552 TIMING: 163400 CPU: 488.096, 0.00297491/step Wall: 488.096, 0.00297491/step, 3.99679 hours remaining, 203.175781 MB of memory in use. ENERGY: 163400 745.3749 2078.8617 1936.4001 134.1907 -206490.4760 17943.0064 0.0000 0.0000 34081.2778 -149571.3645 297.6403 -183652.6423 -149469.8646 297.8938 32.8761 66.2929 557141.9868 1.6189 1.4390 PRESSURE: 163600 -155.202 -18.4965 -5.55804 -18.4968 -71.5097 151.643 -5.56015 151.643 -30.6514 GPRESSURE: 163600 -106.605 -68.2429 -57.3955 16.863 -82.3716 156.944 25.706 65.7475 31.236 PRESSAVG: 163600 102.193 41.1554 -12.7591 41.1555 -38.4047 -70.7876 -12.7591 -70.7876 -12.4718 GPRESSAVG: 163600 102.781 42.3433 -13.4272 39.9938 -39.1707 -68.3664 -11.306 -69.3246 -12.3789 TIMING: 163600 CPU: 488.691, 0.00297606/step Wall: 488.691, 0.00297606/step, 3.99817 hours remaining, 203.175781 MB of memory in use. ENERGY: 163600 750.1859 2061.2859 1952.2311 117.4602 -206442.8917 17753.4352 0.0000 0.0000 34041.9491 -149766.3444 297.2968 -183808.2935 -149668.5908 298.4976 -85.7876 -52.5802 556829.8402 17.1054 17.0772 PRESSURE: 163800 -141.188 128.447 55.5023 128.446 174.075 -46.5597 55.5015 -46.5593 -220.537 GPRESSURE: 163800 -153.161 102.61 122.138 106.538 235.642 -31.3452 -78.2606 -82.4771 -172.774 PRESSAVG: 163800 9.55959 7.5325 -3.02421 7.53252 45.9436 -16.0156 -3.0243 -16.0156 -49.1576 GPRESSAVG: 163800 7.97582 6.00321 -5.0592 10.0829 47.3546 -16.5334 -4.50608 -16.3368 -48.7775 TIMING: 163800 CPU: 489.289, 0.00299134/step Wall: 489.289, 0.00299134/step, 4.01853 hours remaining, 203.175781 MB of memory in use. ENERGY: 163800 765.7912 2060.7976 1950.8488 111.5432 -206699.4884 17926.8928 0.0000 0.0000 34076.9741 -149806.6405 297.6027 -183883.6146 -149715.1836 297.2391 -62.5500 -30.0975 555755.4757 2.1152 2.1843 PRESSURE: 164000 172.231 -9.28058 142.66 -9.28078 -45.3962 218.524 142.66 218.523 -228.428 GPRESSURE: 164000 148.592 10.8448 215.671 -25.8713 32.7227 296.46 163.786 180.21 -199.019 PRESSAVG: 164000 65.1194 25.6889 40.1896 25.6889 5.84326 77.5749 40.1896 77.5749 -95.3248 GPRESSAVG: 164000 65.909 25.957 41.5683 24.0065 5.16819 76.39 40.0984 78.5844 -95.4269 TIMING: 164000 CPU: 489.89, 0.00300449/step Wall: 489.89, 0.00300449/step, 4.03603 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: 164000 725.3168 2144.4080 1919.3401 101.5742 -206568.6033 17760.9915 0.0000 0.0000 34136.4769 -149780.4958 298.1223 -183916.9728 -149686.8119 298.3121 -33.8644 -5.9015 556139.3337 -8.1207 -8.1166 PRESSURE: 164200 -88.9792 76.4764 5.26385 76.4763 -99.2323 -46.5785 5.26517 -46.5794 -53.8321 GPRESSURE: 164200 -74.9454 87.035 -90.9808 122.956 -24.4607 3.23414 68.2836 3.7298 -45.8043 PRESSAVG: 164200 14.3311 36.831 36.9396 36.8308 -0.405688 22.9649 36.9395 22.965 -39.9076 GPRESSAVG: 164200 14.3358 36.4386 37.0398 37.368 0.179054 24.001 36.3013 22.8473 -40.4601 TIMING: 164200 CPU: 490.49, 0.002997/step Wall: 490.49, 0.002997/step, 4.02581 hours remaining, 203.175781 MB of memory in use. ENERGY: 164200 755.7010 2154.8190 1938.8896 107.1518 -206283.2565 17484.0900 0.0000 0.0000 33962.1183 -149880.4868 296.5996 -183842.6051 -149778.1071 298.2479 -80.6812 -48.4035 556764.5051 -8.6607 -8.6484 LDB: ============= START OF LOAD BALANCING ============== 494.004 LDB: ============== END OF LOAD BALANCING =============== 494.004 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 494.005 LDB: ============= START OF LOAD BALANCING ============== 494.306 LDB: Largest compute 4773 load 0.032916 is 27.9% of average load 0.117821 LDB: Average compute 0.001745 is 1.5% of average load 0.117821 LDB: TIME 494.308 LOAD: AVG 0.117821 MAX 0.211939 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.234 MB LDB: TIME 494.309 LOAD: AVG 0.117821 MAX 0.211939 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.438 MB LDB: TIME 494.309 LOAD: AVG 0.117821 MAX 0.211939 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.438 MB LDB: ============== END OF LOAD BALANCING =============== 494.311 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 494.315 PRESSURE: 164400 -65.97 95.9659 -154.541 95.9661 25.2936 -51.7985 -154.54 -51.7974 -257.347 GPRESSURE: 164400 -28.6721 97.848 -160.501 93.4971 33.0826 -100.474 -135.905 -9.57313 -209.066 PRESSAVG: 164400 -0.177328 -3.71088 -78.8979 -3.71093 40.5512 9.80396 -78.8979 9.80395 -60.3452 GPRESSAVG: 164400 -0.0125187 -2.10076 -81.3989 -4.22651 40.1723 8.78869 -77.1444 10.2334 -60.3398 TIMING: 164400 CPU: 491.098, 0.00304164/step Wall: 491.098, 0.00304164/step, 4.0856 hours remaining, 205.824219 MB of memory in use. ENERGY: 164400 723.0486 2094.0600 1959.1649 104.3291 -206580.4349 17716.5891 0.0000 0.0000 34086.1888 -149897.0544 297.6832 -183983.2433 -149800.7937 296.8217 -99.3411 -68.2185 557148.0187 -6.6571 -6.7267 PRESSURE: 164600 71.2549 -40.6132 -69.8087 -40.612 -55.7762 57.0504 -69.8075 57.0478 -31.1255 GPRESSURE: 164600 95.375 -115.865 -59.2292 -0.765139 -30.1749 45.1585 -82.1942 105.126 12.5876 PRESSAVG: 164600 29.5382 -34.2096 -37.4736 -34.2095 21.2843 -93.3591 -37.4735 -93.3591 -37.4165 GPRESSAVG: 164600 29.1167 -36.2766 -37.6248 -32.4044 20.592 -92.0082 -36.3683 -94.0767 -36.5156 TIMING: 164600 CPU: 491.701, 0.00301494/step Wall: 491.701, 0.00301494/step, 4.04956 hours remaining, 205.894531 MB of memory in use. ENERGY: 164600 733.8571 2030.8693 1950.1081 110.2869 -206729.2888 17842.0238 0.0000 0.0000 34067.8405 -149994.3030 297.5229 -184062.1435 -149896.9609 296.5592 -5.2156 25.9292 555390.5683 4.4687 4.3977 PRESSURE: 164800 83.0522 1.93415 142.363 1.93349 82.6221 -100.813 142.363 -100.812 73.3347 GPRESSURE: 164800 149.809 70.5488 32.5986 -27.3893 130.727 -131.699 173.076 -38.767 46.2114 PRESSAVG: 164800 33.3436 21.5282 12.2886 21.5283 -47.5524 -8.00147 12.2885 -8.00136 -35.0271 GPRESSAVG: 164800 33.6989 22.1857 12.6866 19.3975 -46.7188 -7.2897 10.0228 -10.7032 -36.2762 TIMING: 164800 CPU: 492.299, 0.002992/step Wall: 492.299, 0.002992/step, 4.01859 hours remaining, 205.894531 MB of memory in use. ENERGY: 164800 722.3584 2066.5472 1949.1739 102.2936 -207003.9177 18048.8745 0.0000 0.0000 34275.0922 -149839.5779 299.3329 -184114.6701 -149746.4610 297.6740 79.6696 108.9161 554511.7486 -16.4120 -16.4320 PRESSURE: 165000 -63.3959 -73.5183 -160.531 -73.5177 10.1769 -26.1407 -160.53 -26.139 -388.541 GPRESSURE: 165000 -69.5991 -113.942 -142.442 -79.2302 40.7329 -80.188 -122.585 13.4649 -305.448 PRESSAVG: 165000 -49.1878 -12.5443 3.94026 -12.5442 -0.974557 -27.6351 3.94029 -27.6352 61.3312 GPRESSAVG: 165000 -49.483 -13.7428 6.15789 -11.6081 -0.676153 -27.768 4.2268 -24.5325 61.6909 TIMING: 165000 CPU: 492.896, 0.00298255/step Wall: 492.896, 0.00298255/step, 4.00573 hours remaining, 205.894531 MB of memory in use. ENERGY: 165000 777.4242 2122.2564 1949.4986 111.3993 -206192.9143 17704.6436 0.0000 0.0000 33844.9407 -149682.7515 295.5763 -183527.6922 -149590.6899 298.1335 -147.2532 -111.4381 557126.9516 3.7230 3.8439 PRESSURE: 165200 -172.738 67.5026 -14.4987 67.5023 -85.3187 25.5975 -14.498 25.5977 -23.4766 GPRESSURE: 165200 -149.55 24.0538 -27.2107 130.536 -41.0601 50.9917 100.872 -13.3112 3.0645 PRESSAVG: 165200 47.6081 -10.0558 -4.11419 -10.0558 9.12259 10.0213 -4.11409 10.0213 -53.8857 GPRESSAVG: 165200 45.3506 -9.51915 -5.37903 -11.6013 10.0489 7.76911 -4.25874 8.71532 -52.7135 TIMING: 165200 CPU: 493.495, 0.00299595/step Wall: 493.495, 0.00299595/step, 4.02356 hours remaining, 205.894531 MB of memory in use. ENERGY: 165200 714.2616 2014.0538 1999.7335 105.7483 -206287.2771 17744.3159 0.0000 0.0000 33922.6452 -149786.5189 296.2549 -183709.1641 -149690.8280 297.5248 -93.8444 -62.5153 556320.9609 0.9483 0.8953 PRESSURE: 165400 -236.486 -93.3666 155.611 -93.3675 92.0263 -17.1767 155.612 -17.1771 166.196 GPRESSURE: 165400 -173.393 -72.8184 100.935 -201.72 154.292 39.762 124.167 -41.404 126.311 PRESSAVG: 165400 -2.33657 17.7395 -36.0409 17.7395 -13.0245 19.8322 -36.0409 19.8323 29.7095 GPRESSAVG: 165400 -1.57006 19.9066 -36.3416 17.558 -13.9983 21.4652 -34.2524 18.7662 29.467 TIMING: 165400 CPU: 494.094, 0.00299231/step Wall: 494.094, 0.00299231/step, 4.0185 hours remaining, 205.960938 MB of memory in use. ENERGY: 165400 728.0207 2082.1385 1948.4098 107.9568 -206414.9066 17824.4583 0.0000 0.0000 34041.5737 -149682.3489 297.2935 -183723.9226 -149590.7244 297.3013 7.2454 35.7368 556788.2283 4.7828 4.6329 PRESSURE: 165600 225.217 -49.0647 69.734 -49.0647 -33.5632 3.05765 69.7337 3.05697 -72.292 GPRESSURE: 165600 214.048 25.5468 86.1751 -135.3 -3.2204 24.2929 42.315 30.5119 5.09037 PRESSAVG: 165600 37.1408 6.58108 15.557 6.58122 -1.45394 -11.2211 15.557 -11.221 -26.5414 GPRESSAVG: 165600 37.4693 2.81089 16.6949 7.39627 -1.54539 -12.2186 14.5714 -9.60497 -26.7321 TIMING: 165600 CPU: 494.691, 0.00298881/step Wall: 494.691, 0.00298881/step, 4.01364 hours remaining, 205.960938 MB of memory in use. ENERGY: 165600 756.2432 2036.1088 1931.3571 107.2615 -206244.8475 17727.2298 0.0000 0.0000 34186.4877 -149500.1593 298.5591 -183686.6470 -149404.6144 298.3472 39.7871 71.9725 556618.2422 3.0485 3.0639 PRESSURE: 165800 -87.5731 105.824 -43.7952 105.825 -156.477 -61.2339 -43.7942 -61.2324 2.08418 GPRESSURE: 165800 -44.5779 40.5752 -68.6748 65.784 -128.293 -63.974 -67.1173 -31.0244 29.9422 PRESSAVG: 165800 54.3313 22.6142 18.8505 22.6141 -0.44699 50.8608 18.8505 50.8608 -70.7299 GPRESSAVG: 165800 53.9774 26.3547 18.8266 23.1226 0.78664 52.5265 17.9446 49.909 -71.8165 TIMING: 165800 CPU: 495.289, 0.0029897/step Wall: 495.289, 0.0029897/step, 4.01467 hours remaining, 205.960938 MB of memory in use. ENERGY: 165800 770.0788 2083.2335 1939.6519 114.0146 -206634.7131 17913.8734 0.0000 0.0000 34237.0436 -149576.8172 299.0006 -183813.8609 -149475.5831 298.6170 -80.6552 -47.6428 556676.6937 -5.6152 -5.6841 PRESSURE: 166000 -40.8412 127.624 -4.30727 127.624 55.1551 -145.282 -4.30618 -145.281 -175.07 GPRESSURE: 166000 -12.0275 105.901 20.0916 136.162 90.2888 -174.112 16.8671 -91.2639 -137.469 PRESSAVG: 166000 69.2717 -26.6957 12.7797 -26.6957 -54.9306 -49.8699 12.7797 -49.8699 2.10402 GPRESSAVG: 166000 69.2598 -31.2835 11.1284 -25.6299 -55.6115 -50.6013 13.8684 -50.7774 2.81609 TIMING: 166000 CPU: 495.883, 0.00297096/step Wall: 495.883, 0.00297096/step, 3.98934 hours remaining, 205.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 166000 726.1031 2099.6583 1930.2594 103.1365 -206163.2094 17663.5878 0.0000 0.0000 34085.6243 -149554.8400 297.6782 -183640.4643 -149461.1694 298.6009 -53.5854 -19.7360 556246.4034 5.4817 5.4881 PRESSURE: 166200 327.928 -39.3364 -263.408 -39.3361 -186.414 45.8992 -263.409 45.9005 -19.704 GPRESSURE: 166200 351.57 -30.7197 -274.463 -46.6509 -119.694 94.5108 -309.727 10.2106 -12.2463 PRESSAVG: 166200 29.5889 -17.8308 0.825822 -17.8308 11.865 -88.9091 0.82579 -88.9091 -20.1293 GPRESSAVG: 166200 29.6997 -14.9381 2.59679 -18.3389 11.7331 -89.4455 0.79099 -87.2923 -19.7103 TIMING: 166200 CPU: 496.482, 0.0029939/step Wall: 496.482, 0.0029939/step, 4.01998 hours remaining, 205.960938 MB of memory in use. ENERGY: 166200 756.4025 2065.2601 1934.4582 102.7581 -206555.7377 18008.8062 0.0000 0.0000 34225.0413 -149463.0113 298.8958 -183688.0526 -149368.7752 298.9227 40.6033 73.2102 556862.4142 7.1082 7.2408 PRESSURE: 166400 -244.583 -11.7293 -53.6616 -11.7293 200.613 -26.6814 -53.6621 -26.6803 -56.4474 GPRESSURE: 166400 -224.035 2.84076 -81.6427 -40.7991 216.161 -44.036 -32.2023 5.79309 -0.443088 PRESSAVG: 166400 17.1889 -56.6723 -70.8659 -56.6723 -35.723 33.601 -70.8659 33.601 47.2884 GPRESSAVG: 166400 16.9643 -56.4024 -71.7038 -55.8875 -35.8012 34.1033 -71.0806 33.616 47.9224 TIMING: 166400 CPU: 497.078, 0.00297964/step Wall: 497.078, 0.00297964/step, 4.00066 hours remaining, 205.960938 MB of memory in use. ENERGY: 166400 763.1230 2108.2880 1950.8264 118.3127 -206298.1232 17781.3494 0.0000 0.0000 34129.2913 -149446.9324 298.0596 -183576.2237 -149352.8616 298.1932 -33.4723 -2.7723 557366.1157 9.5848 9.6952 PRESSURE: 166600 45.6782 -2.4768 -1.25569 -2.4772 -110.417 8.00565 -1.25612 8.00572 91.284 GPRESSURE: 166600 33.1492 -63.3755 62.3675 -49.1422 -28.4111 26.2305 6.99858 -6.36704 126.401 PRESSAVG: 166600 -72.4949 25.3022 -40.2621 25.3021 0.996161 -10.1947 -40.2622 -10.1947 49.3033 GPRESSAVG: 166600 -73.3365 25.1968 -39.4857 21.7288 2.34968 -12.6346 -41.3607 -9.07427 49.3392 TIMING: 166600 CPU: 497.679, 0.00300192/step Wall: 497.679, 0.00300192/step, 4.03042 hours remaining, 205.960938 MB of memory in use. ENERGY: 166600 774.7437 2056.6509 1981.6483 113.3121 -206540.3824 17893.2276 0.0000 0.0000 34232.7329 -149488.0670 298.9630 -183720.7999 -149391.7620 298.4102 8.8485 43.7130 556666.3736 -7.3985 -7.2159 PRESSURE: 166800 -211.282 143.127 31.8441 143.127 -91.8496 -117.641 31.8457 -117.641 -286.712 GPRESSURE: 166800 -180.935 34.3533 89.158 190.783 -39.1734 -103.524 -12.4759 -156.873 -275.578 PRESSAVG: 166800 -20.9106 57.4559 -17.6148 57.456 39.1171 -34.4669 -17.6147 -34.467 18.9937 GPRESSAVG: 166800 -19.271 54.8576 -18.0242 61.7126 37.7345 -31.9609 -16.1952 -36.0179 19.4318 TIMING: 166800 CPU: 498.273, 0.00296999/step Wall: 498.273, 0.00296999/step, 3.98738 hours remaining, 205.960938 MB of memory in use. ENERGY: 166800 804.8857 2042.1995 1962.7617 117.2511 -206172.0406 17457.4465 0.0000 0.0000 34240.5438 -149546.9523 299.0312 -183787.4961 -149460.2108 298.9989 -196.6146 -165.2290 555866.8275 12.4001 12.6318 PRESSURE: 167000 -45.8908 -83.7387 -65.9091 -83.7381 25.3994 -193.496 -65.9097 -193.495 149.238 GPRESSURE: 167000 -56.7773 -48.2968 -92.9193 -111.793 94.3683 -304.316 -79.0605 -168.417 176.783 PRESSAVG: 167000 -75.7428 -21.6723 -2.9132 -21.6723 36.8946 -7.00861 -2.91326 -7.00867 32.9674 GPRESSAVG: 167000 -75.3139 -17.8654 -0.541977 -23.8885 37.736 -7.06362 -4.60694 -7.46047 31.4138 TIMING: 167000 CPU: 498.871, 0.00299068/step Wall: 498.871, 0.00299068/step, 4.01499 hours remaining, 205.960938 MB of memory in use. ENERGY: 167000 766.3085 2046.4610 1951.3256 121.2612 -206362.4751 17810.5362 0.0000 0.0000 34176.3722 -149490.2102 298.4708 -183666.5824 -149398.5283 298.6317 42.9157 71.4580 555171.7116 -1.9603 -2.0547 PRESSURE: 167200 -171.726 70.462 31 70.4629 -129.217 98.3742 30.9997 98.374 -66.3454 GPRESSURE: 167200 -105.459 9.59118 41.8388 60.7526 -137.947 111.21 59.1612 71.6975 -29.6529 PRESSAVG: 167200 -11.8431 -10.7508 -35.3915 -10.7509 4.44519 -7.66739 -35.3916 -7.66739 41.3354 GPRESSAVG: 167200 -12.0287 -11.4636 -35.3265 -10.6539 4.48922 -7.07355 -36.8329 -6.43159 41.5568 TIMING: 167200 CPU: 499.468, 0.00298686/step Wall: 499.468, 0.00298686/step, 4.0097 hours remaining, 205.960938 MB of memory in use. ENERGY: 167200 736.5737 2091.9591 1934.2943 109.0047 -206244.4563 17596.2992 0.0000 0.0000 34378.0233 -149398.3020 300.2318 -183776.3253 -149301.0476 298.6541 -122.4294 -91.0198 556022.0456 11.3125 11.3391 PRESSURE: 167400 -16.5042 10.1543 169.332 10.1539 -324.455 68.233 169.333 68.2349 -67.0191 GPRESSURE: 167400 -3.3378 33.5729 163.127 105.076 -286.114 -7.7565 102.535 72.8714 -32.6577 PRESSAVG: 167400 -48.3537 48.542 86.707 48.542 31.5141 6.15875 86.707 6.15871 24.0047 GPRESSAVG: 167400 -48.4749 49.8306 85.2022 47.4035 30.8101 5.4676 87.3144 5.3575 24.6505 TIMING: 167400 CPU: 500.061, 0.00296332/step Wall: 500.061, 0.00296332/step, 3.97793 hours remaining, 206.011719 MB of memory in use. ENERGY: 167400 748.2516 2049.3030 1931.8775 114.5047 -206077.3240 17436.4050 0.0000 0.0000 34245.6180 -149551.3642 299.0755 -183796.9822 -149455.8407 298.5721 -135.9927 -107.3700 556831.0431 2.3884 2.3286 PRESSURE: 167600 -173.438 71.9098 -54.3414 71.9098 -20.0633 -145.499 -54.3429 -145.5 -88.8122 GPRESSURE: 167600 -135.215 55.1473 -46.2782 92.6644 24.3638 -86.6007 -47.8184 -215.437 -77.8359 PRESSAVG: 167600 -23.6356 44.9652 28.513 44.9653 40.7848 3.84175 28.5131 3.84173 -47.4937 GPRESSAVG: 167600 -23.485 44.5316 27.1427 47.1968 40.8564 3.90548 31.3702 4.06298 -47.7341 TIMING: 167600 CPU: 500.654, 0.00296768/step Wall: 500.654, 0.00296768/step, 3.98362 hours remaining, 206.011719 MB of memory in use. ENERGY: 167600 740.3406 2078.1766 1967.7044 116.1883 -206559.7684 17895.1786 0.0000 0.0000 34271.8231 -149490.3567 299.3044 -183762.1798 -149390.3042 298.3635 -94.1045 -62.8958 558127.8733 -10.1149 -10.1209 PRESSURE: 167800 -229.637 -59.6392 -129.763 -59.6367 -241.031 -108.114 -129.762 -108.114 -340.099 GPRESSURE: 167800 -171.582 -71.532 -63.4003 -57.087 -230.478 -26.1435 -171.912 -43.5914 -302.439 PRESSAVG: 167800 -36.848 -18.6056 -24.8518 -18.6056 -23.9216 -25.3441 -24.8518 -25.3441 36.5131 GPRESSAVG: 167800 -37.2679 -19.2828 -24.4794 -20.2553 -23.7173 -26.2065 -25.3667 -25.5633 36.4815 TIMING: 167800 CPU: 501.247, 0.00296337/step Wall: 501.247, 0.00296337/step, 3.97766 hours remaining, 206.011719 MB of memory in use. ENERGY: 167800 765.6548 2067.7334 1953.8897 111.5300 -206050.6709 17584.2061 0.0000 0.0000 34133.4194 -149434.2374 298.0956 -183567.6569 -149340.1339 298.5786 -270.2560 -234.8329 558278.0935 -8.0855 -8.1679 PRESSURE: 168000 78.3099 -10.8397 -153.908 -10.8413 185.152 136.242 -153.908 136.24 267.812 GPRESSURE: 168000 179.926 57.185 -97.1291 -45.6741 202.637 82.8809 -281.619 122.062 245.103 PRESSAVG: 168000 6.79606 36.5901 -72.8968 36.5902 -15.0917 21.6527 -72.8968 21.6527 -4.00906 GPRESSAVG: 168000 5.8784 37.1066 -71.7866 37.8946 -14.0489 21.5236 -73.8902 22.8977 -4.01671 TIMING: 168000 CPU: 501.845, 0.00298953/step Wall: 501.845, 0.00298953/step, 4.01262 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: 168000 740.2920 2099.6436 1942.0416 116.7648 -206064.0612 17917.6193 0.0000 0.0000 34166.1127 -149081.5872 298.3812 -183247.6999 -148984.2798 298.5089 177.0914 209.2220 557881.5887 -4.1016 -4.0624 PRESSURE: 168200 141.686 -44.1996 6.94134 -44.2004 -20.7727 17.7462 6.94186 17.745 28.401 GPRESSURE: 168200 131.039 -37.5878 -61.6621 -83.4781 -8.38571 5.78859 43.819 86.8051 130.568 PRESSAVG: 168200 -27.7281 -4.15344 -35.888 -4.15339 26.4737 36.2458 -35.8879 36.2459 11.7063 GPRESSAVG: 168200 -27.8303 -5.66999 -36.8425 -5.60912 25.4791 36.3782 -34.4398 35.9352 12.2124 TIMING: 168200 CPU: 502.446, 0.00300582/step Wall: 502.446, 0.00300582/step, 4.0343 hours remaining, 206.011719 MB of memory in use. ENERGY: 168200 780.9550 2095.3341 1921.8003 102.5169 -206322.0472 18024.1626 0.0000 0.0000 34369.3454 -149027.9329 300.1560 -183397.2782 -148929.2404 299.7491 49.7713 84.4072 557075.9235 3.4840 3.2871 LDB: ============= START OF LOAD BALANCING ============== 505.964 LDB: ============== END OF LOAD BALANCING =============== 505.964 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 505.966 LDB: ============= START OF LOAD BALANCING ============== 506.268 LDB: Largest compute 4773 load 0.032797 is 27.8% of average load 0.117870 LDB: Average compute 0.001730 is 1.5% of average load 0.117870 LDB: TIME 506.27 LOAD: AVG 0.11787 MAX 0.209066 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.281 MB LDB: TIME 506.27 LOAD: AVG 0.11787 MAX 0.209066 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.352 MB LDB: TIME 506.271 LOAD: AVG 0.11787 MAX 0.209066 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.352 MB LDB: ============== END OF LOAD BALANCING =============== 506.272 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 506.276 PRESSURE: 168400 26.0975 -83.7711 -7.28227 -83.7726 -56.4035 85.3093 -7.28294 85.3108 212.964 GPRESSURE: 168400 52.1727 -100.064 36.3377 -29.5605 11.1998 45.0788 64.5011 114.952 220.606 PRESSAVG: 168400 17.8323 -6.90029 -7.26397 -6.90033 16.0756 -1.00994 -7.26387 -1.00994 -41.0564 GPRESSAVG: 168400 18.8513 -6.75968 -4.97398 -5.65245 16.0983 0.225266 -7.74276 -4.92176 -41.6719 TIMING: 168400 CPU: 503.06, 0.00306937/step Wall: 503.06, 0.00306937/step, 4.11943 hours remaining, 206.601562 MB of memory in use. ENERGY: 168400 724.5798 2134.6260 1949.6046 114.3973 -206140.0723 17860.5036 0.0000 0.0000 34286.5398 -149069.8213 299.4329 -183356.3611 -148972.7931 300.0708 60.8861 94.6596 557873.0029 -2.3829 -2.2408 PRESSURE: 168600 -105.14 73.7813 -48.5564 73.7798 10.9443 58.173 -48.5583 58.174 -195.933 GPRESSURE: 168600 -69.9377 -39.5484 -3.50264 61.9154 25.8642 17.7753 -98.5479 70.0612 -146.516 PRESSAVG: 168600 -49.6184 -16.9534 15.7412 -16.9534 40.3264 -3.07681 15.7412 -3.0769 21.8413 GPRESSAVG: 168600 -50.2304 -17.7308 14.3342 -18.0574 39.8117 -4.98177 15.416 1.19506 23.2394 TIMING: 168600 CPU: 503.656, 0.00297865/step Wall: 503.656, 0.00297865/step, 3.99752 hours remaining, 206.671875 MB of memory in use. ENERGY: 168600 747.0944 2064.7112 1942.2147 105.1572 -206216.9008 17764.7441 0.0000 0.0000 34409.6162 -149183.3629 300.5077 -183592.9791 -149083.0073 299.5146 -96.7097 -63.5299 558167.4800 4.1831 4.2736 PRESSURE: 168800 162.852 -185.637 -74.0095 -185.637 211.044 -66.9304 -74.0099 -66.9307 186.332 GPRESSURE: 168800 230.378 -152.42 -78.2228 -139.432 277.466 24.0085 -54.8607 -132.065 131.295 PRESSAVG: 168800 57.7271 0.657372 -10.6377 0.657325 15.6846 0.121534 -10.6377 0.121616 -66.6398 GPRESSAVG: 168800 57.0488 1.71552 -10.093 -0.874016 16.2614 0.829693 -10.5989 -1.21183 -66.9001 TIMING: 168800 CPU: 504.25, 0.00297307/step Wall: 504.25, 0.00297307/step, 3.98986 hours remaining, 206.671875 MB of memory in use. ENERGY: 168800 741.2487 2061.7432 1938.6933 131.3457 -206898.2833 18231.6111 0.0000 0.0000 34575.6432 -149217.9980 301.9577 -183793.6413 -149114.4492 300.2602 186.7428 213.0464 557101.9022 2.2573 2.1367 PRESSURE: 169000 52.5507 84.7771 -61.1708 84.777 56.0754 -135.461 -61.1705 -135.46 292.685 GPRESSURE: 169000 110.818 63.4045 -63.153 65.0129 81.9719 -55.2829 -60.7382 -113.975 312.2 PRESSAVG: 169000 17.1577 -1.83929 33.3869 -1.83946 48.6648 -5.15919 33.3867 -5.15912 -39.8327 GPRESSAVG: 169000 18.4848 -3.25087 31.6259 -0.960636 48.157 -3.44115 35.4171 -6.69221 -40.6233 TIMING: 169000 CPU: 504.845, 0.00297565/step Wall: 504.845, 0.00297565/step, 3.99316 hours remaining, 206.671875 MB of memory in use. ENERGY: 169000 778.3700 2073.7867 1948.4704 106.3757 -206437.3556 18057.3247 0.0000 0.0000 34328.5242 -149144.5039 299.7995 -183473.0281 -149048.9291 299.4716 133.7705 168.3299 557614.9441 8.6633 8.6729 PRESSURE: 169200 -16.2659 49.5223 -67.8458 49.5226 -199.957 -47.083 -67.8462 -47.0829 -396.449 GPRESSURE: 169200 78.274 98.9944 -107.702 -41.4701 -228.361 13.9285 -70.5201 -114.742 -363.801 PRESSAVG: 169200 -22.5159 -1.18347 -65.6641 -1.18343 6.00041 -26.1054 -65.6641 -26.1054 51.164 GPRESSAVG: 169200 -23.1469 2.02145 -65.9929 -2.01205 7.04956 -26.8393 -67.4561 -24.7817 51.0009 TIMING: 169200 CPU: 505.435, 0.00295046/step Wall: 505.435, 0.00295046/step, 3.95918 hours remaining, 206.671875 MB of memory in use. ENERGY: 169200 761.7686 2091.6408 1963.9820 114.7011 -206002.6805 17647.3078 0.0000 0.0000 34394.3952 -149028.8849 300.3748 -183423.2802 -148929.7285 299.5936 -204.2241 -171.2962 558608.2510 11.5495 11.6345 PRESSURE: 169400 -217.676 8.09382 -258.443 8.09277 65.1406 -118.302 -258.443 -118.302 -495.655 GPRESSURE: 169400 -150.862 -29.2586 -285.838 128.526 -4.28086 -42.0645 -279.876 -53.4937 -394.075 PRESSAVG: 169400 -35.8792 -8.45636 -64.7369 -8.45635 2.03645 -32.4859 -64.7368 -32.4859 -10.0174 GPRESSAVG: 169400 -36.8152 -9.5211 -63.0886 -7.82529 1.01559 -32.0891 -66.0251 -32.2507 -8.14982 TIMING: 169400 CPU: 506.023, 0.0029392/step Wall: 506.023, 0.0029392/step, 3.94391 hours remaining, 206.671875 MB of memory in use. ENERGY: 169400 725.0260 2069.2581 1950.9519 104.5297 -205798.0783 17523.9495 0.0000 0.0000 34391.5680 -149032.7949 300.3501 -183424.3630 -148942.8797 299.4253 -216.0635 -183.0727 558015.4009 -14.6200 -14.6498 PRESSURE: 169600 -22.0604 187.086 -41.5323 187.086 42.3769 75.6898 -41.5316 75.6893 123.761 GPRESSURE: 169600 8.64056 200.813 8.36285 245.428 62.5979 28.8797 -54.8544 57.2131 162.886 PRESSAVG: 169600 -25.6541 -25.3896 -65.7023 -25.3896 26.5514 13.2876 -65.7023 13.2878 -18.7175 GPRESSAVG: 169600 -26.3287 -26.6511 -66.1384 -24.8198 27.7943 12.144 -63.6064 12.7114 -19.5036 TIMING: 169600 CPU: 506.616, 0.00296263/step Wall: 506.616, 0.00296263/step, 3.97519 hours remaining, 206.671875 MB of memory in use. ENERGY: 169600 732.6088 2029.6072 1948.9110 110.5795 -205890.9106 17735.8819 0.0000 0.0000 34279.4537 -149053.8686 299.3710 -183333.3222 -148958.9209 300.0253 48.0257 78.0416 557440.1352 -5.9401 -6.0127 PRESSURE: 169800 216.715 -216.265 43.5318 -216.266 355.038 9.09546 43.5309 9.0952 340.719 GPRESSURE: 169800 280.84 -113.135 104.111 -224.391 331.383 -23.3782 136.18 -32.9612 393.273 PRESSAVG: 169800 -4.63232 48.012 55.446 48.012 -11.0216 -30.3353 55.4459 -30.3355 12.2647 GPRESSAVG: 169800 -2.50166 48.5739 56.3998 47.17 -12.394 -30.0988 54.8236 -32.0824 10.8843 TIMING: 169800 CPU: 507.212, 0.00298181/step Wall: 507.212, 0.00298181/step, 4.00076 hours remaining, 206.671875 MB of memory in use. ENERGY: 169800 716.1941 2054.9516 1932.4576 117.1555 -206257.1926 17937.1021 0.0000 0.0000 34388.9514 -149110.3803 300.3273 -183499.3317 -149015.0948 299.5288 304.1571 335.1652 555521.7579 -1.1297 -1.3371 PRESSURE: 170000 465.055 -40.3675 -171.59 -40.3679 364.942 87.3618 -171.59 87.3623 372.352 GPRESSURE: 170000 460.727 -59.1095 -169.346 -56.0928 425.893 7.87214 -99.8017 53.5184 404.884 PRESSAVG: 170000 2.5444 44.9416 -55.8301 44.9415 -28.3896 -43.0068 -55.8301 -43.0069 50.9303 GPRESSAVG: 170000 2.31999 46.7257 -57.6878 44.3939 -28.9471 -43.186 -54.812 -42.0475 51.5777 TIMING: 170000 CPU: 507.808, 0.00298154/step Wall: 507.808, 0.00298154/step, 4.00023 hours remaining, 206.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 170000 760.1929 2054.8202 1946.6167 101.5684 -206751.3912 18516.7748 0.0000 0.0000 34240.3267 -149131.0914 299.0293 -183371.4182 -149032.4799 300.0167 400.7829 430.5013 557158.7280 8.3617 8.3169 PRESSURE: 170200 75.1998 -85.6045 90.1775 -85.6041 -4.03592 -70.8078 90.1778 -70.808 195.336 GPRESSURE: 170200 91.8488 -58.7859 99.1086 -123.692 31.094 -184.173 46.5119 -89.1552 244.244 PRESSAVG: 170200 45.3553 -33.4777 -72.8636 -33.4777 -32.0705 -48.2318 -72.8636 -48.2319 33.7095 GPRESSAVG: 170200 44.9279 -34.8845 -72.795 -32.1382 -31.3343 -46.521 -73.4072 -49.0759 33.3724 TIMING: 170200 CPU: 508.401, 0.00296406/step Wall: 508.401, 0.00296406/step, 3.97661 hours remaining, 206.671875 MB of memory in use. ENERGY: 170200 751.1239 2029.7947 1961.6377 121.6577 -206355.4936 17915.4318 0.0000 0.0000 34377.4350 -149198.4128 300.2267 -183575.8478 -149091.9394 298.8429 88.8332 122.3957 557632.1009 15.6648 15.6553 PRESSURE: 170400 -45.737 -46.3014 -47.4589 -46.3017 325.868 -5.47623 -47.4589 -5.47538 5.14689 GPRESSURE: 170400 21.9725 1.38394 -90.3598 10.7135 338.791 8.27418 -85.398 -30.9895 15.5869 PRESSAVG: 170400 32.8857 21.5162 -34.1837 21.5163 -40.1473 -33.5273 -34.1837 -33.5274 -4.49603 GPRESSAVG: 170400 33.9774 19.5449 -33.3917 20.5671 -40.6296 -34.8433 -33.8384 -31.7192 -5.53909 TIMING: 170400 CPU: 509.002, 0.00300292/step Wall: 509.002, 0.00300292/step, 4.02858 hours remaining, 206.671875 MB of memory in use. ENERGY: 170400 707.6873 2129.9046 1916.5575 120.8349 -206155.6921 17863.1099 0.0000 0.0000 34115.0654 -149302.5325 297.9354 -183417.5980 -149212.1874 298.7562 95.0927 125.4502 558189.3464 -3.9192 -4.0638 PRESSURE: 170600 -127.574 -44.8496 107.908 -44.8487 21.1492 -65.8134 107.907 -65.814 110.509 GPRESSURE: 170600 -104.134 -92.6014 96.1325 56.8966 61.8685 -124.202 78.459 40.4769 155.339 PRESSAVG: 170600 -70.2856 -9.40867 42.7991 -9.40859 53.4859 -6.60309 42.7991 -6.60308 13.8235 GPRESSAVG: 170600 -71.4379 -6.9999 43.6132 -7.3673 54.3992 -5.91595 41.362 -7.73993 15.5731 TIMING: 170600 CPU: 509.6, 0.00299269/step Wall: 509.6, 0.00299269/step, 4.01469 hours remaining, 206.671875 MB of memory in use. ENERGY: 170600 745.0465 2089.9418 1968.6435 108.5745 -206416.7746 17869.6470 0.0000 0.0000 34316.5610 -149318.3604 299.6951 -183634.9213 -149216.5444 299.0774 1.3615 37.6912 557279.4338 -0.9921 -0.4885 PRESSURE: 170800 -313.049 -98.613 104.13 -98.613 -144.561 -17.6617 104.13 -17.6609 -237.661 GPRESSURE: 170800 -327.296 -69.7209 88.4808 -112.776 -143.133 -7.673 98.4601 -39.7314 -126.666 PRESSAVG: 170800 -26.4992 26.3149 17.4832 26.315 42.7595 1.94949 17.4831 1.94951 13.4354 GPRESSAVG: 170800 -25.4217 24.8248 16.461 25.7403 42.1293 1.40235 19.5569 2.84833 12.9068 TIMING: 170800 CPU: 510.196, 0.00297917/step Wall: 510.196, 0.00297917/step, 3.99639 hours remaining, 206.671875 MB of memory in use. ENERGY: 170800 772.8838 2106.6575 1921.2927 122.4157 -205853.9406 17514.2975 0.0000 0.0000 34457.9314 -148958.4619 300.9297 -183416.3934 -148870.0646 300.0808 -231.7571 -199.0319 559371.8342 9.8986 9.8714 PRESSURE: 171000 -98.1016 6.94581 -36.0901 6.94637 -393.116 -48.8562 -36.0885 -48.854 -137.104 GPRESSURE: 171000 -72.781 -34.602 12.7317 102.808 -312.335 15.5521 -58.6422 -112.695 -148.044 PRESSAVG: 171000 34.3884 -19.2963 -14.7234 -19.2963 -54.0854 41.1058 -14.7234 41.1059 -24.0353 GPRESSAVG: 171000 35.3658 -17.917 -15.8831 -19.3788 -54.3747 41.0838 -16.1269 41.1391 -24.5278 TIMING: 171000 CPU: 510.797, 0.00300615/step Wall: 510.797, 0.00300615/step, 4.03242 hours remaining, 206.671875 MB of memory in use. ENERGY: 171000 778.9688 2114.0772 1915.6681 114.1811 -206006.2253 17623.4456 0.0000 0.0000 34463.6216 -148996.2628 300.9794 -183459.8844 -148901.3514 300.1400 -209.4406 -177.7200 558774.8045 -14.5774 -14.5122 PRESSURE: 171200 0.218342 4.64323 -118.772 4.64253 -276.419 -118.981 -118.771 -118.982 -313.914 GPRESSURE: 171200 5.48875 -34.6321 -54.2284 -40.3963 -261.839 -114.353 -170.477 -19.0063 -229.481 PRESSAVG: 171200 44.3389 -29.0047 -1.84057 -29.0048 -64.7202 -2.49153 -1.84044 -2.49151 -11.018 GPRESSAVG: 171200 42.4173 -29.7653 0.035348 -30.0893 -64.2713 -2.03245 -0.751986 -2.73302 -9.46434 TIMING: 171200 CPU: 511.394, 0.00298193/step Wall: 511.394, 0.00298193/step, 3.99976 hours remaining, 206.671875 MB of memory in use. ENERGY: 171200 751.0198 2109.6928 1946.0056 122.0593 -206046.7881 17658.7907 0.0000 0.0000 34354.3506 -149104.8695 300.0251 -183459.2200 -149009.9053 299.2804 -196.7049 -161.9439 559262.2335 -10.4665 -10.4395 PRESSURE: 171400 -100.688 -148.941 105.422 -148.942 -46.8315 -75.9765 105.42 -75.9786 -53.6791 GPRESSURE: 171400 -25.3903 -141.182 53.7354 -131.659 -43.0059 -70.4076 113.519 -107.869 -30.0095 PRESSAVG: 171400 36.7652 41.4066 32.3034 41.4065 -23.7411 -10.1551 32.3033 -10.1552 -44.1588 GPRESSAVG: 171400 37.6527 41.7764 31.1614 41.1381 -24.4211 -9.85381 32.1461 -9.17795 -44.6545 TIMING: 171400 CPU: 511.992, 0.00299301/step Wall: 511.992, 0.00299301/step, 4.01446 hours remaining, 206.671875 MB of memory in use. ENERGY: 171400 715.9548 2078.0128 1965.8526 104.0487 -206024.0817 17664.5367 0.0000 0.0000 34477.3830 -149018.2931 301.0996 -183495.6761 -148917.5476 298.9727 -67.0661 -32.8019 557735.2149 -10.3782 -10.4743 PRESSURE: 171600 35.7162 -25.5472 129.39 -25.5466 -178.138 52.5503 129.39 52.551 121.215 GPRESSURE: 171600 64.7456 -76.8126 67.614 77.5111 -180.259 13.2467 169.099 3.0942 186.412 PRESSAVG: 171600 -1.01812 34.8048 32.3571 34.8047 2.26579 39.2819 32.357 39.2819 17.7155 GPRESSAVG: 171600 0.0603121 33.9029 31.6928 35.0665 3.26115 38.3609 32.3454 38.6571 16.497 TIMING: 171600 CPU: 512.592, 0.00299626/step Wall: 512.592, 0.00299626/step, 4.01865 hours remaining, 206.671875 MB of memory in use. ENERGY: 171600 736.6808 2057.5939 1943.9734 100.5504 -205963.4803 17769.1659 0.0000 0.0000 34311.7533 -149043.7626 299.6531 -183355.5159 -148946.5280 300.0877 -7.0687 23.6330 557341.0676 6.3211 6.6061 PRESSURE: 171800 340.449 -1.93626 -150.795 -1.93647 156.934 -152.41 -150.795 -152.411 152.944 GPRESSURE: 171800 355.852 84.9451 -277.219 -32.2444 249.368 -127.687 -103.863 -108.554 142.067 PRESSAVG: 171800 -4.22099 47.6391 -25.3784 47.6391 -13.7966 -12.7644 -25.3784 -12.7645 41.4179 GPRESSAVG: 171800 -5.4672 48.6875 -24.4148 47.508 -12.9763 -11.612 -25.0566 -13.3695 41.4202 TIMING: 171800 CPU: 513.194, 0.00301046/step Wall: 513.194, 0.00301046/step, 4.03752 hours remaining, 206.671875 MB of memory in use. ENERGY: 171800 749.6378 2118.0457 1952.0785 116.1548 -206291.4520 18154.7993 0.0000 0.0000 34282.5926 -148918.1434 299.3984 -183200.7360 -148823.8798 299.9108 216.7759 249.0958 558193.2508 7.8001 7.6589 PRESSURE: 172000 -441.958 -71.4243 219.998 -71.4234 61.8984 -154.438 219.997 -154.438 -169.897 GPRESSURE: 172000 -406.743 -100.438 190.076 -92.6103 100.712 -77.8011 141.611 -180.891 -144.756 PRESSAVG: 172000 19.4167 76.5598 15.2365 76.5598 -20.4578 4.04936 15.2364 4.04941 -6.24573 GPRESSAVG: 172000 19.7771 77.5575 15.1844 75.2446 -20.6161 2.52385 15.0903 3.16816 -6.38407 TIMING: 172000 CPU: 513.795, 0.00300564/step Wall: 513.795, 0.00300564/step, 4.03089 hours remaining, 206.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 172000 783.8777 2056.2669 1928.5802 121.4430 -206054.3176 17692.8384 0.0000 0.0000 34259.1588 -149212.1526 299.1938 -183471.3114 -149113.4226 299.7390 -183.3189 -150.2624 558902.6131 -2.4289 -2.4077 PRESSURE: 172200 -204.39 149.802 -219.359 149.8 -164.655 179.648 -219.358 179.648 -18.9281 GPRESSURE: 172200 -177.023 173.256 -142.073 103.363 -155.564 187.082 -219.897 195.723 35.941 PRESSAVG: 172200 7.03609 71.0606 10.011 71.0606 15.441 52.2899 10.011 52.2899 -30.8377 GPRESSAVG: 172200 7.48822 69.2018 8.42802 73.2084 13.9361 53.2593 10.9473 53.2185 -29.5512 TIMING: 172200 CPU: 514.398, 0.00301679/step Wall: 514.398, 0.00301679/step, 4.04569 hours remaining, 206.671875 MB of memory in use. ENERGY: 172200 770.3237 2122.2535 1939.9783 123.0389 -206008.5923 17670.7142 0.0000 0.0000 34238.8934 -149143.3905 299.0168 -183382.2839 -149042.7928 299.8463 -129.3242 -98.8820 558382.9561 -2.7869 -2.7090 LDB: ============= START OF LOAD BALANCING ============== 517.915 LDB: ============== END OF LOAD BALANCING =============== 517.915 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 517.917 LDB: ============= START OF LOAD BALANCING ============== 518.217 LDB: Largest compute 4773 load 0.032355 is 27.5% of average load 0.117775 LDB: Average compute 0.001731 is 1.5% of average load 0.117775 LDB: TIME 518.22 LOAD: AVG 0.117775 MAX 0.209152 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205 MB LDB: TIME 518.22 LOAD: AVG 0.117775 MAX 0.209152 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205 MB LDB: TIME 518.22 LOAD: AVG 0.117775 MAX 0.209152 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 518.222 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 518.226 PRESSURE: 172400 148.215 35.2828 12.7309 35.2838 18.6114 -106.253 12.7315 -106.254 -63.8675 GPRESSURE: 172400 141.903 159.292 16.6264 -91.3997 109.462 -219.701 -30.0011 -16.2162 -44.9064 PRESSAVG: 172400 -26.0909 -5.44356 6.2152 -5.4436 11.5547 18.8054 6.21525 18.8055 1.14824 GPRESSAVG: 172400 -26.5274 -3.61812 6.95328 -8.48849 12.7747 17.886 5.66263 19.6777 0.260438 TIMING: 172400 CPU: 515.01, 0.00305639/step Wall: 515.01, 0.00305639/step, 4.09861 hours remaining, 206.601562 MB of memory in use. ENERGY: 172400 735.8583 2112.8011 1925.8735 106.3174 -206128.9286 17854.0691 0.0000 0.0000 34219.3055 -149174.7036 298.8457 -183394.0091 -149079.8546 299.8016 34.3197 68.8194 557534.8670 -4.4627 -4.4974 PRESSURE: 172600 -67.2839 -20.6028 -42.5463 -20.6032 126.924 133.806 -42.5455 133.807 -165.543 GPRESSURE: 172600 -93.1622 -19.8024 -50.9171 -8.8108 151.716 118.231 -74.7391 88.3831 -72.3864 PRESSAVG: 172600 -16.8228 -19.6195 37.3659 -19.6195 57.9587 35.9398 37.3659 35.9396 -87.3448 GPRESSAVG: 172600 -16.5293 -20.6763 36.4327 -18.4775 57.2752 36.4401 36.6989 35.7351 -86.7792 TIMING: 172600 CPU: 515.612, 0.00301165/step Wall: 515.612, 0.00301165/step, 4.03846 hours remaining, 206.804688 MB of memory in use. ENERGY: 172600 720.1688 2097.8769 1940.0814 115.7331 -205968.9960 17649.5270 0.0000 0.0000 34370.5943 -149075.0145 300.1669 -183445.6088 -148971.5939 299.7405 -35.3012 -4.6109 557595.9007 -15.4030 -15.3444 PRESSURE: 172800 89.6754 -115.611 -133.682 -115.612 -23.4887 -51.9531 -133.683 -51.9538 -99.1226 GPRESSURE: 172800 65.1592 10.3955 -110.211 -154.176 37.006 33.9499 -53.2198 -22.564 -24.0771 PRESSAVG: 172800 46.1071 -29.0224 -6.91149 -29.0224 16.2801 7.96998 -6.91157 7.97002 -5.08542 GPRESSAVG: 172800 46.5662 -27.4543 -3.67662 -29.4132 15.9213 8.1161 -7.87608 6.34138 -4.85624 TIMING: 172800 CPU: 516.211, 0.00299545/step Wall: 516.211, 0.00299545/step, 4.01657 hours remaining, 206.804688 MB of memory in use. ENERGY: 172800 773.2935 2038.3012 1947.9969 103.8715 -206035.1767 17849.8574 0.0000 0.0000 34201.9000 -149119.9562 298.6937 -183321.8562 -149023.4851 299.4603 -10.9786 26.0293 558011.1390 19.1006 19.2104 PRESSURE: 173000 -243.043 -145.158 -44.8941 -145.158 -34.6927 22.5 -44.8942 22.5007 185.447 GPRESSURE: 173000 -215.847 -217.571 -58.0517 14.275 4.2182 26.6698 -72.6964 -20.652 210.31 PRESSAVG: 173000 41.7724 -16.7747 2.86249 -16.7747 -23.5773 8.04229 2.86249 8.04229 -45.7031 GPRESSAVG: 173000 42.5469 -18.8389 2.78309 -16.6075 -23.6119 6.73672 3.50724 9.76314 -46.7757 TIMING: 173000 CPU: 516.818, 0.00303399/step Wall: 516.818, 0.00303399/step, 4.06808 hours remaining, 206.804688 MB of memory in use. ENERGY: 173000 718.4809 2063.9509 1916.4349 110.9320 -205937.4492 17769.2603 0.0000 0.0000 34181.5663 -149176.8240 298.5161 -183358.3903 -149082.0768 299.1026 -30.7628 -0.4396 558394.4600 -9.1693 -9.2802 PRESSURE: 173200 -143.952 -94.4577 32.8262 -94.4573 22.5857 83.7141 32.8259 83.7165 -128.856 GPRESSURE: 173200 -91.9477 -23.9487 54.9181 -85.3646 50.0631 -9.16646 99.6764 155.438 -97.9202 PRESSAVG: 173200 60.9188 -14.6663 -23.4225 -14.6661 7.73154 -55.137 -23.4226 -55.137 -16.9923 GPRESSAVG: 173200 60.0861 -12.4822 -24.0055 -14.6506 8.17667 -54.1981 -23.4902 -55.5621 -16.2668 TIMING: 173200 CPU: 517.419, 0.00300722/step Wall: 517.419, 0.00300722/step, 4.03201 hours remaining, 206.804688 MB of memory in use. ENERGY: 173200 775.2458 2110.6103 1913.2264 121.2158 -206062.3519 17689.4293 0.0000 0.0000 34267.8319 -149184.7924 299.2695 -183452.6243 -149089.0608 299.0062 -83.4072 -46.6016 557066.7748 17.2194 17.3320 PRESSURE: 173400 17.1784 79.5986 -16.1145 79.6002 -112.489 21.2125 -16.1131 21.2123 105.173 GPRESSURE: 173400 69.5332 68.3832 -77.2752 55.6471 -93.1872 -45.4145 -61.4515 -53.2706 138.827 PRESSAVG: 173400 -1.53828 -26.0949 -17.2137 -26.0949 -90.4042 -3.59754 -17.2136 -3.59739 67.8864 GPRESSAVG: 173400 -1.00737 -28.9251 -19.2249 -27.1048 -90.0202 -4.64279 -18.3603 -2.99301 67.308 TIMING: 173400 CPU: 518.015, 0.00297753/step Wall: 518.015, 0.00297753/step, 3.99205 hours remaining, 206.804688 MB of memory in use. ENERGY: 173400 750.1991 2123.2059 1930.6018 114.3448 -206084.0755 17934.3502 0.0000 0.0000 34170.4402 -149060.9334 298.4190 -183231.3736 -148965.8724 299.3576 3.2875 38.3911 557537.7167 -8.0187 -7.9065 PRESSURE: 173600 260.412 57.4792 63.3424 57.4786 230.867 -67.7467 63.3423 -67.7474 390.726 GPRESSURE: 173600 300.678 114.083 64.1333 36.9533 272.721 -18.3877 107.65 -42.8872 408.588 PRESSAVG: 173600 89.0295 56.2145 36.5709 56.2146 -24.7451 7.38268 36.5708 7.38263 -34.5946 GPRESSAVG: 173600 88.7267 57.1633 38.8484 57.8375 -25.2054 9.42723 37.2048 6.15271 -34.0086 TIMING: 173600 CPU: 518.613, 0.00298912/step Wall: 518.613, 0.00298912/step, 4.00741 hours remaining, 206.804688 MB of memory in use. ENERGY: 173600 742.7946 2055.0716 1936.4923 117.8989 -206431.5603 18186.4275 0.0000 0.0000 34264.5362 -149128.3392 299.2407 -183392.8754 -149034.7448 299.3008 294.0018 327.3286 556782.7364 9.8966 9.8375 PRESSURE: 173800 -325.089 -205.277 7.11069 -205.278 213.196 124.663 7.11032 124.664 114.03 GPRESSURE: 173800 -243.658 -167.186 -57.9191 -248.797 191.4 61.5937 30.3076 97.5096 159.046 PRESSAVG: 173800 38.7312 9.6559 25.1043 9.65575 -15.0824 -42.2076 25.1042 -42.2076 11.3293 GPRESSAVG: 173800 39.8641 8.6686 23.8506 10.1735 -15.4272 -42.3781 24.2958 -42.5218 10.3774 TIMING: 173800 CPU: 519.218, 0.00302533/step Wall: 519.218, 0.00302533/step, 4.0558 hours remaining, 206.804688 MB of memory in use. ENERGY: 173800 758.2130 2100.5338 1963.9576 113.5833 -206134.0354 17830.3101 0.0000 0.0000 34257.9686 -149109.4690 299.1834 -183367.4376 -149007.4009 299.5916 0.7121 35.5961 557403.0431 11.6594 11.6048 PRESSURE: 174000 58.2837 -118.058 64.2276 -118.059 -109.119 -82.7822 64.2277 -82.7817 -239.291 GPRESSURE: 174000 119.997 -147.125 94.7505 -119.591 -100.771 -58.0583 65.6194 -90.3383 -221.807 PRESSAVG: 174000 2.98178 9.69337 47.5456 9.69339 -28.7028 -28.7142 47.5457 -28.7141 43.7887 GPRESSAVG: 174000 0.77803 12.2132 47.4816 9.66817 -28.8072 -29.5707 48.0968 -29.716 45.3316 TIMING: 174000 CPU: 519.819, 0.00300785/step Wall: 519.819, 0.00300785/step, 4.03219 hours remaining, 206.804688 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: 174000 766.7005 2061.0555 1953.1206 119.5165 -206156.0301 17892.5585 0.0000 0.0000 34198.5517 -149164.5269 298.6645 -183363.0786 -149070.4390 299.0293 -96.7088 -67.5271 558499.0639 6.0226 5.7675 PRESSURE: 174200 -39.7063 106.291 -118.951 106.29 -111.049 -56.1418 -118.951 -56.1425 -86.4487 GPRESSURE: 174200 -22.6261 78.015 -92.676 126.166 -32.7591 -103.913 -136.717 -21.0724 -85.8764 PRESSAVG: 174200 67.5408 -0.408758 41.7206 -0.40878 -69.3238 2.09102 41.7207 2.09104 -25.4722 GPRESSAVG: 174200 68.9052 -0.955162 43.1036 -1.50665 -69.238 2.83652 40.754 3.0788 -27.0963 TIMING: 174200 CPU: 520.417, 0.00298769/step Wall: 520.417, 0.00298769/step, 4.005 hours remaining, 206.804688 MB of memory in use. ENERGY: 174200 762.6811 2097.5087 1924.6661 131.3945 -206425.1119 17887.5068 0.0000 0.0000 34388.6417 -149232.7130 300.3246 -183621.3547 -149135.5572 299.0694 -79.0682 -47.0872 558791.4198 -9.0851 -9.1430 PRESSURE: 174400 -276.616 -103.651 129.953 -103.652 -149.883 55.7939 129.953 55.7943 -139.72 GPRESSURE: 174400 -304.848 -144.125 112.629 -70.057 -79.0796 -3.99842 122.611 46.672 -82.4249 PRESSAVG: 174400 -14.7683 34.726 -13.4796 34.7258 15.101 12.2885 -13.4796 12.2888 17.0633 GPRESSAVG: 174400 -14.3717 34.3512 -15.2586 34.0131 15.0347 12.4053 -11.6436 14.3316 16.7038 TIMING: 174400 CPU: 521.017, 0.0029995/step Wall: 521.017, 0.0029995/step, 4.02066 hours remaining, 206.804688 MB of memory in use. ENERGY: 174400 755.6665 2069.0587 1938.9192 110.2531 -206231.5638 17687.7169 0.0000 0.0000 34363.0982 -149306.8511 300.1015 -183669.9493 -149211.9991 298.6395 -188.7396 -155.4509 557569.7879 5.7987 5.7889 PRESSURE: 174600 54.7774 -210.139 -52.5202 -210.138 -93.2419 39.5124 -52.521 39.5135 -56.4925 GPRESSURE: 174600 116.959 -275.406 -40.1499 -231.775 -112.84 24.9084 -43.4071 10.9775 -6.56924 PRESSAVG: 174600 -5.50612 -28.9165 30.9624 -28.9164 -49.0601 -13.2119 30.9624 -13.2119 38.4795 GPRESSAVG: 174600 -5.84908 -29.9394 30.0795 -25.7708 -49.84 -14.8336 32.1497 -15.1402 39.7324 TIMING: 174600 CPU: 521.612, 0.00297632/step Wall: 521.612, 0.00297632/step, 3.98942 hours remaining, 206.804688 MB of memory in use. ENERGY: 174600 722.8836 2112.5336 1938.1182 118.2585 -206374.2842 17828.8413 0.0000 0.0000 34209.2819 -149444.3673 298.7582 -183653.6492 -149344.5796 299.4873 -31.6524 -0.8165 557177.0284 -5.3622 -5.3189 PRESSURE: 174800 -23.5662 -45.2137 139.022 -45.2137 37.5596 -44.4161 139.022 -44.4156 -180.078 GPRESSURE: 174800 -9.3824 -73.388 63.78 -47.9643 74.7797 -84.6219 218.055 -65.2176 -142.714 PRESSAVG: 174800 10.6754 -5.92227 6.13814 -5.92231 -18.0068 -12.5831 6.13811 -12.583 36.6332 GPRESSAVG: 174800 11.4223 -5.56968 9.94004 -7.2503 -17.5176 -11.2588 3.25711 -11.6569 35.931 TIMING: 174800 CPU: 522.21, 0.00299237/step Wall: 522.21, 0.00299237/step, 4.01078 hours remaining, 206.804688 MB of memory in use. ENERGY: 174800 743.6920 2075.1716 1948.0381 119.8865 -206043.8019 17589.3615 0.0000 0.0000 33981.0435 -149586.6087 296.7649 -183567.6522 -149495.0737 298.4657 -55.3616 -25.7722 555514.4101 9.7673 9.9452 PRESSURE: 175000 -55.299 55.5509 121.579 55.5511 -411.77 -2.65246 121.58 -2.65285 73.775 GPRESSURE: 175000 -28.4563 225.034 151.571 -107.762 -369.106 -19.6834 13.5988 52.7935 104.544 PRESSAVG: 175000 -1.87764 -24.9565 20.7575 -24.9566 -62.1716 -26.6664 20.7576 -26.6665 41.4714 GPRESSAVG: 175000 -1.97824 -22.8303 18.7095 -25.8347 -61.5909 -27.5804 20.6712 -28.4927 40.5274 TIMING: 175000 CPU: 522.806, 0.00297619/step Wall: 522.806, 0.00297619/step, 3.98892 hours remaining, 206.804688 MB of memory in use. ENERGY: 175000 739.7084 2109.3797 1923.0323 105.6282 -206441.0598 17826.4231 0.0000 0.0000 34226.9216 -149509.9664 298.9122 -183736.8880 -149415.2886 298.0044 -131.0980 -97.6727 556763.2501 -7.5259 -7.6806 PRESSURE: 175200 166.501 43.8165 -54.6822 43.8161 12.9097 -159.41 -54.6824 -159.411 202.587 GPRESSURE: 175200 204.886 18.9158 -106.522 70.9195 25.9909 -137.291 -11.1954 -204.839 232.916 PRESSAVG: 175200 -19.0059 23.3256 28.876 23.3257 -83.3977 -16.0284 28.8759 -16.0283 94.501 GPRESSAVG: 175200 -20.6029 23.514 27.2758 22.9783 -84.0662 -16.4768 30.7196 -14.2894 96.4053 TIMING: 175200 CPU: 523.4, 0.00296953/step Wall: 523.4, 0.00296953/step, 3.97983 hours remaining, 206.804688 MB of memory in use. ENERGY: 175200 750.4660 2080.6491 1926.6883 107.4429 -206353.1530 17773.9767 0.0000 0.0000 34122.4068 -149591.5232 297.9995 -183713.9300 -149497.1543 298.1117 127.3326 154.5975 556036.0493 -2.6342 -2.7546 PRESSURE: 175400 -87.1288 -85.1697 12.9271 -85.1705 88.6492 -38.6086 12.9271 -38.6086 -68.9856 GPRESSURE: 175400 -36.2783 -195.991 42.1287 90.7962 102.031 -81.2923 -40.7787 15.4255 -40.98 PRESSAVG: 175400 -53.3414 25.8567 20.5417 25.8567 13.5956 2.6783 20.5417 2.67825 31.5954 GPRESSAVG: 175400 -51.9264 25.8009 22.0068 25.8016 13.4328 3.04392 20.9922 2.13768 30.3235 TIMING: 175400 CPU: 523.995, 0.00297544/step Wall: 523.995, 0.00297544/step, 3.98759 hours remaining, 206.804688 MB of memory in use. ENERGY: 175400 730.9720 2065.8380 1926.9895 112.0800 -206468.4030 17883.7046 0.0000 0.0000 34133.8529 -149614.9661 298.0994 -183748.8190 -149518.6775 297.6510 -22.4884 8.2576 557875.6782 -2.7168 -2.7234 PRESSURE: 175600 -168.552 50.2394 114.803 50.2399 -51.9942 117.536 114.803 117.537 -120.257 GPRESSURE: 175600 -125.539 -4.75248 116.703 41.9006 -27.8091 148.098 130.977 165.338 -89.1331 PRESSAVG: 175600 -17.8334 -4.63681 16.9455 -4.6368 -4.0452 47.9554 16.9455 47.9553 16.2065 GPRESSAVG: 175600 -18.316 -4.81157 15.7619 -4.39766 -4.5708 47.4445 15.2057 49.0268 17.0956 TIMING: 175600 CPU: 524.591, 0.00298109/step Wall: 524.591, 0.00298109/step, 3.995 hours remaining, 206.804688 MB of memory in use. ENERGY: 175600 746.4029 2124.7628 1948.6197 108.4320 -206747.5113 17947.7715 0.0000 0.0000 34218.1749 -149653.3476 298.8358 -183871.5225 -149554.3278 297.8799 -113.6011 -80.8271 557022.6111 -1.8907 -1.9304 PRESSURE: 175800 -36.8553 77.2493 -80.1899 77.2485 -104.813 34.9823 -80.1897 34.9824 -100.539 GPRESSURE: 175800 16.1524 -67.0835 -80.6993 148.871 -51.4625 29.0468 -87.4818 32.1939 -110.037 PRESSAVG: 175800 0.118218 -15.9587 -2.04451 -15.9587 -11.2837 50.5464 -2.04452 50.5464 -11.0213 GPRESSAVG: 175800 -0.601783 -17.409 0.53267 -14.9929 -11.1958 52.3568 -1.57363 50.4601 -10.5567 TIMING: 175800 CPU: 525.185, 0.00296958/step Wall: 525.185, 0.00296958/step, 3.9794 hours remaining, 206.804688 MB of memory in use. ENERGY: 175800 752.5299 2050.8457 1932.2284 104.9025 -206544.7229 17743.0990 0.0000 0.0000 34226.8312 -149734.2862 298.9114 -183961.1174 -149641.7372 297.5977 -80.7356 -48.4491 556362.4235 -7.3956 -7.4514 PRESSURE: 176000 -73.9216 -46.7739 -60.1547 -46.774 -166.598 -147.267 -60.1529 -147.267 -45.4384 GPRESSURE: 176000 26.1753 -20.0617 -27.8288 -12.0805 -124.246 -64.3364 -85.159 -166.308 -82.8078 PRESSAVG: 176000 12.4434 7.59994 -45.5861 7.59986 -4.28306 -16.7552 -45.5862 -16.7552 10.561 GPRESSAVG: 176000 12.4548 7.0038 -48.7639 9.48222 -3.17702 -17.5048 -42.7038 -16.3197 9.52682 TIMING: 176000 CPU: 525.778, 0.00296845/step Wall: 525.778, 0.00296845/step, 3.97773 hours remaining, 206.804688 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: 176000 728.2001 2064.1753 1919.4674 107.7264 -206174.5270 17608.2853 0.0000 0.0000 33907.5492 -149839.1233 296.1231 -183746.6725 -149748.3947 297.2499 -95.3192 -60.2928 556280.5163 6.2405 6.2682 PRESSURE: 176200 -58.5481 19.3135 3.57186 19.312 166.833 -32.7936 3.57328 -32.7931 133.969 GPRESSURE: 176200 -32.0132 -60.566 79.8329 77.4622 152.759 -51.0577 -89.9932 -61.1846 214.915 PRESSAVG: 176200 -48.0278 27.2267 -108.061 27.2267 -28.9953 -4.76668 -108.062 -4.76668 30.6708 GPRESSAVG: 176200 -46.825 26.8109 -107.518 25.7403 -29.3149 -5.33432 -108.813 -6.68879 30.0054 TIMING: 176200 CPU: 526.377, 0.00299297/step Wall: 526.377, 0.00299297/step, 4.01042 hours remaining, 206.804688 MB of memory in use. ENERGY: 176200 709.7868 2002.6443 1960.6343 104.8915 -206693.4711 18075.5504 0.0000 0.0000 33900.0020 -149939.9618 296.0571 -183839.9638 -149834.0597 297.3643 80.7514 111.8868 557659.1827 -15.4507 -15.3781 LDB: ============= START OF LOAD BALANCING ============== 529.894 LDB: ============== END OF LOAD BALANCING =============== 529.895 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 529.896 LDB: ============= START OF LOAD BALANCING ============== 530.196 LDB: Largest compute 4773 load 0.032100 is 27.3% of average load 0.117755 LDB: Average compute 0.001743 is 1.5% of average load 0.117755 LDB: TIME 530.199 LOAD: AVG 0.117755 MAX 0.206856 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.801 MB LDB: TIME 530.199 LOAD: AVG 0.117755 MAX 0.206856 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.801 MB LDB: TIME 530.199 LOAD: AVG 0.117755 MAX 0.206856 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.801 MB LDB: ============== END OF LOAD BALANCING =============== 530.201 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 530.205 PRESSURE: 176400 162.161 -25.1849 -36.5334 -25.1856 -202.633 151.775 -36.5338 151.775 42.2653 GPRESSURE: 176400 177.534 -4.2902 -50.2492 -58.9259 -179.479 62.6241 -84.8071 228.281 103.707 PRESSAVG: 176400 -50.3229 -47.5089 4.15248 -47.509 -26.5603 -26.5623 4.15238 -26.5622 60.3184 GPRESSAVG: 176400 -50.6412 -45.9895 3.75659 -47.1789 -26.5725 -26.6669 3.28806 -24.511 60.797 TIMING: 176400 CPU: 526.988, 0.00305671/step Wall: 526.988, 0.00305671/step, 4.09565 hours remaining, 205.371094 MB of memory in use. ENERGY: 176400 739.3837 2077.1730 1937.7865 99.3139 -206538.2946 17843.5229 0.0000 0.0000 33945.7754 -149895.3391 296.4569 -183841.1146 -149798.3772 297.0800 0.5975 33.9204 555955.7914 -5.5216 -5.4722 Info: useSync: 0 useProxySync: 0 PRESSURE: 176600 33.202 0.304696 61.2343 0.305385 233.705 48.8413 61.2345 48.8405 10.3311 GPRESSURE: 176600 106.215 14.6689 77.1021 -30.3323 241.265 -82.4444 66.344 116.223 49.648 PRESSAVG: 176600 -44.3843 25.5484 -12.7039 25.5484 15.182 31.3562 -12.7038 31.3563 56.9571 GPRESSAVG: 176600 -44.0026 26.105 -11.1553 24.4635 15.9838 31.1541 -12.8162 30.3723 56.2341 TIMING: 176600 CPU: 527.584, 0.00297892/step Wall: 527.584, 0.00297892/step, 3.99126 hours remaining, 205.371094 MB of memory in use. ENERGY: 176600 723.6564 2088.0025 1914.0777 107.4856 -206854.1305 17971.6661 0.0000 0.0000 34249.0157 -149800.2264 299.1052 -184049.2421 -149703.9975 297.3250 92.4126 132.3762 556756.5680 9.2516 9.4051 PRESSURE: 176800 -249.232 27.8965 98.4448 27.8973 -168.82 -10.026 98.4445 -10.0267 -62.6389 GPRESSURE: 176800 -175.739 113.335 132.477 45.5229 -169.945 56.4113 127.269 1.82516 -28.0819 PRESSAVG: 176800 -20.5006 27.0326 3.79366 27.0328 -38.0793 7.16328 3.79374 7.16331 36.5154 GPRESSAVG: 176800 -20.4117 24.5437 1.12042 28.9798 -38.9536 8.72377 5.37336 6.54386 37.1955 TIMING: 176800 CPU: 528.18, 0.00297688/step Wall: 528.18, 0.00297688/step, 3.98836 hours remaining, 205.582031 MB of memory in use. ENERGY: 176800 746.7969 2019.7986 1906.8778 99.4958 -206057.9050 17580.1551 0.0000 0.0000 34115.1363 -149589.6446 297.9360 -183704.7809 -149483.7611 297.7178 -160.2302 -124.5888 558076.9546 -7.3548 -7.3899 PRESSURE: 177000 -118.811 88.0621 -95.1118 88.0604 -126.624 -96.349 -95.1119 -96.3506 67.0973 GPRESSURE: 177000 -74.3144 24.0044 -30.3342 127.696 -62.7551 -64.2701 -146.11 -93.3234 48.5668 PRESSAVG: 177000 29.4078 39.8881 8.37997 39.8881 -13.4176 17.1827 8.37997 17.1826 53.7906 GPRESSAVG: 177000 30.0826 40.9217 11.2613 38.17 -12.6945 16.4765 6.65858 17.9038 52.7813 TIMING: 177000 CPU: 528.776, 0.00298439/step Wall: 528.776, 0.00298439/step, 3.99825 hours remaining, 205.582031 MB of memory in use. ENERGY: 177000 688.9861 2132.3689 1938.7031 109.6363 -206190.5263 17578.4926 0.0000 0.0000 34138.4613 -149603.8779 298.1397 -183742.3391 -149514.6447 298.7761 -59.4459 -29.5009 556776.3301 23.2603 23.3898 PRESSURE: 177200 -63.9703 274.034 84.9235 274.033 -4.44687 -71.1099 84.925 -71.1094 -137.11 GPRESSURE: 177200 -20.7119 318.955 89.7698 226.539 58.7354 -76.0334 -7.89359 -168.587 -137.431 PRESSAVG: 177200 -48.3114 39.1208 -31.8791 39.1209 13.44 -8.07486 -31.8792 -8.07493 17.4032 GPRESSAVG: 177200 -47.0251 40.0412 -29.7854 39.0866 12.6885 -6.88653 -31.2439 -11.2403 17.1607 TIMING: 177200 CPU: 529.371, 0.00297268/step Wall: 529.371, 0.00297268/step, 3.9824 hours remaining, 205.582031 MB of memory in use. ENERGY: 177200 735.6484 2095.9508 1937.3349 121.7903 -206132.9616 17675.1758 0.0000 0.0000 34056.4085 -149510.6530 297.4231 -183567.0615 -149421.3465 298.7256 -68.5091 -33.1358 556424.8766 -5.8227 -5.7253 PRESSURE: 177400 234.589 -81.9106 -70.7827 -81.9091 133.128 68.1504 -70.7829 68.151 -162.561 GPRESSURE: 177400 204.327 -103.826 -36.2404 -59.2816 157.446 111.799 -60.0184 132.237 -54.1002 PRESSAVG: 177400 12.3833 42.4427 -21.0805 42.4427 19.7908 40.6399 -21.0804 40.6399 -30.5402 GPRESSAVG: 177400 10.9175 42.2454 -23.5493 43.3568 19.5218 41.0007 -22.1469 43.5163 -28.6972 TIMING: 177400 CPU: 529.967, 0.0029791/step Wall: 529.967, 0.0029791/step, 3.99083 hours remaining, 205.582031 MB of memory in use. ENERGY: 177400 742.3905 2150.0695 1930.0617 104.2668 -206541.4754 18019.5388 0.0000 0.0000 34113.7629 -149481.3852 297.9240 -183595.1480 -149385.6080 298.0912 68.3855 102.5576 557387.0295 0.5447 0.5807 PRESSURE: 177600 -95.7891 -47.1145 -153.559 -47.1153 69.6796 -17.7133 -153.559 -17.7128 -0.194174 GPRESSURE: 177600 -82.1039 -17.8767 -180.011 31.8443 124.25 -76.6898 -102.206 -38.1699 36.4603 PRESSAVG: 177600 35.1622 28.4682 15.2344 28.4683 13.6048 7.39004 15.2344 7.39003 2.9007 GPRESSAVG: 177600 36.2427 29.8223 17.3582 26.3031 13.3116 7.68848 14.0245 5.33862 2.5936 TIMING: 177600 CPU: 530.563, 0.00298051/step Wall: 530.563, 0.00298051/step, 3.99256 hours remaining, 205.582031 MB of memory in use. ENERGY: 177600 770.0008 2128.3731 1944.5343 108.9419 -206661.9227 17936.3542 0.0000 0.0000 34199.7024 -149574.0159 298.6745 -183773.7184 -149479.3614 298.9050 -8.7679 26.2022 556508.8322 17.2226 17.3826 PRESSURE: 177800 -14.5255 14.6314 -74.3731 14.6316 -42.9988 -158.362 -74.3721 -158.359 -48.0377 GPRESSURE: 177800 23.4036 57.4241 -70.0077 17.4971 2.64867 -104.94 -155.197 -183.564 -42.9741 PRESSAVG: 177800 9.65823 31.6653 -2.2374 31.6653 -44.2861 -2.11555 -2.23746 -2.11553 6.13032 GPRESSAVG: 177800 8.13714 32.0157 -4.66711 31.6742 -42.1156 -3.29953 -1.02169 -0.400619 5.78936 TIMING: 177800 CPU: 531.156, 0.00296433/step Wall: 531.156, 0.00296433/step, 3.97072 hours remaining, 205.582031 MB of memory in use. ENERGY: 177800 719.1822 2143.6728 1936.0573 91.9688 -206407.0419 17881.9090 0.0000 0.0000 34219.7147 -149414.5371 298.8493 -183634.2518 -149311.6591 298.5917 -35.1873 -5.6406 556572.3851 -9.4992 -9.3964 PRESSURE: 178000 55.2825 -6.47239 13.9337 -6.47147 -76.9199 -40.6184 13.9337 -40.6179 -103.871 GPRESSURE: 178000 70.7647 68.6622 104.185 -59.8798 -67.2898 -46.5201 -24.9135 -76.459 -40.4005 PRESSAVG: 178000 36.8126 39.1524 11.8291 39.1524 -44.3947 34.4841 11.8291 34.4841 9.06385 GPRESSAVG: 178000 37.3125 35.3967 11.3553 40.8289 -44.799 33.7442 12.5315 34.0888 9.04576 TIMING: 178000 CPU: 531.749, 0.00296635/step Wall: 531.749, 0.00296635/step, 3.97327 hours remaining, 205.582031 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: 178000 767.9791 2121.4238 1949.1205 111.5439 -206238.8689 17713.0232 0.0000 0.0000 34216.3459 -149359.4326 298.8199 -183575.7785 -149257.1594 298.9564 -41.8363 -12.3085 555307.7197 0.4939 0.5197 PRESSURE: 178200 86.7046 13.8039 -41.2896 13.8036 63.7303 60.649 -41.2894 60.6486 -14.8758 GPRESSURE: 178200 77.221 46.4709 -66.0673 13.0246 122.795 -2.25607 -37.5584 56.989 24.6756 PRESSAVG: 178200 62.6763 35.746 -2.83204 35.746 5.87993 68.462 -2.83222 68.4621 -31.059 GPRESSAVG: 178200 62.7356 37.2859 -0.889063 36.5837 5.56235 69.217 -3.17369 67.2251 -30.3262 TIMING: 178200 CPU: 532.342, 0.00296301/step Wall: 532.342, 0.00296301/step, 3.96862 hours remaining, 205.582031 MB of memory in use. ENERGY: 178200 732.4376 2126.3312 1956.4363 113.6145 -206185.9390 17688.9139 0.0000 0.0000 34255.9000 -149312.3055 299.1653 -183568.2055 -149221.9959 299.2159 45.1864 74.8971 555633.1169 12.4991 12.6572 PRESSURE: 178400 -206.526 155.18 -33.2698 155.18 44.3159 19.3851 -33.2694 19.3841 -68.7561 GPRESSURE: 178400 -121.883 277.399 -50.0668 36.6754 81.1354 67.3255 62.8496 6.34401 -94.3931 PRESSAVG: 178400 19.7008 -2.60436 -52.9293 -2.60429 14.1883 2.96391 -52.9293 2.96384 -57.5456 GPRESSAVG: 178400 19.3293 -1.85894 -53.015 -3.09626 15.162 3.50825 -52.7588 4.35077 -58.2938 TIMING: 178400 CPU: 532.932, 0.00295229/step Wall: 532.932, 0.00295229/step, 3.9541 hours remaining, 205.582031 MB of memory in use. ENERGY: 178400 744.5570 2099.7074 1939.9508 119.3093 -206156.8616 17642.9396 0.0000 0.0000 34309.4903 -149300.9073 299.6333 -183610.3975 -149198.6947 299.3040 -76.9886 -45.0470 556575.3030 -7.8855 -7.9341 PRESSURE: 178600 134.243 144.284 -14.1339 144.284 -99.9553 75.581 -14.1346 75.5803 -41.7987 GPRESSURE: 178600 126.873 141.039 -13.0177 160.957 -61.1863 109.396 -3.46825 43.5368 29.2093 PRESSAVG: 178600 33.8745 27.8955 -29.9278 27.8955 2.19578 15.7379 -29.9278 15.7377 -14.0292 GPRESSAVG: 178600 34.6959 27.6895 -32.8634 27.9673 1.53816 15.114 -28.9791 16.719 -13.7777 TIMING: 178600 CPU: 533.521, 0.00294495/step Wall: 533.521, 0.00294495/step, 3.94411 hours remaining, 205.582031 MB of memory in use. ENERGY: 178600 738.4551 2097.7464 1963.8795 113.8275 -206187.3232 17804.1898 0.0000 0.0000 34131.8302 -149337.3947 298.0818 -183469.2249 -149235.5920 299.1163 -2.5038 31.6320 555650.7877 7.3471 7.4854 PRESSURE: 178800 -168.51 -99.2611 -144.86 -99.2608 -6.35343 90.9788 -144.86 90.9802 -340.997 GPRESSURE: 178800 -143.007 -99.5265 -106.619 -97.5309 30.674 11.3283 -168.351 124.446 -297.647 PRESSAVG: 178800 13.1609 10.4342 -28.7538 10.4342 79.5783 17.0084 -28.7538 17.0084 -25.499 GPRESSAVG: 178800 13.4258 9.48066 -27.6993 10.0879 79.4915 17.6548 -30.0629 16.296 -25.6366 TIMING: 178800 CPU: 534.112, 0.00295349/step Wall: 534.112, 0.00295349/step, 3.95538 hours remaining, 205.582031 MB of memory in use. ENERGY: 178800 758.1090 2127.1906 1925.6024 126.7337 -205796.4517 17333.4123 0.0000 0.0000 34143.8129 -149381.5907 298.1864 -183525.4037 -149275.0669 299.5687 -171.9534 -136.6602 556134.6138 22.4134 22.4269 PRESSURE: 179000 -256.776 -64.2001 -47.0959 -64.2018 -99.6099 12.5282 -47.0957 12.5286 -181.35 GPRESSURE: 179000 -253.52 -21.981 -171.013 -30.2971 -24.7564 -36.9694 24.5639 37.7498 -170.871 PRESSAVG: 179000 20.0423 9.50553 -71.3106 9.50548 31.6064 -23.1373 -71.3106 -23.1373 -39.9114 GPRESSAVG: 179000 18.3386 10.8959 -73.6617 9.52406 32.4724 -24.6008 -69.8505 -22.8024 -39.1869 TIMING: 179000 CPU: 534.699, 0.00293675/step Wall: 534.699, 0.00293675/step, 3.9328 hours remaining, 205.582031 MB of memory in use. ENERGY: 179000 774.5842 2122.6608 1953.0716 115.1027 -206439.1503 17712.6167 0.0000 0.0000 34236.0683 -149525.0459 298.9921 -183761.1142 -149422.6749 299.2821 -179.2452 -149.7155 556277.7655 3.9124 3.8747 PRESSURE: 179200 -224.06 201.864 -141.654 201.864 -83.3 30.3506 -141.655 30.3506 -371.872 GPRESSURE: 179200 -198.371 99.6723 -132.915 189.17 -84.9119 9.77077 -159.783 120.782 -306.81 PRESSAVG: 179200 40.5268 36.2335 -49.1317 36.2335 23.443 23.4448 -49.1317 23.4448 -5.33203 GPRESSAVG: 179200 41.5688 35.0137 -47.2085 35.9466 22.623 24.0274 -49.8128 21.6787 -5.81048 TIMING: 179200 CPU: 535.29, 0.00295233/step Wall: 535.29, 0.00295233/step, 3.9535 hours remaining, 205.582031 MB of memory in use. ENERGY: 179200 731.1038 2117.0778 1930.7529 109.9086 -205909.2552 17556.9055 0.0000 0.0000 33937.3354 -149526.1713 296.3832 -183463.5067 -149430.0189 298.4356 -226.4108 -196.6977 557229.9036 19.5459 19.4604 PRESSURE: 179400 -48.6391 36.5636 118.178 36.5636 -44.5286 69.9797 118.178 69.9813 9.44573 GPRESSURE: 179400 -38.525 45.8493 224.294 14.0365 56.9504 54.9555 69.6002 19.7325 5.6048 PRESSAVG: 179400 -20.3131 26.3221 -4.03115 26.3221 -1.30748 -18.382 -4.03103 -18.382 28.8083 GPRESSAVG: 179400 -21.1233 28.0175 -3.94633 27.3137 -0.822545 -18.5497 -2.96565 -16.7869 29.6589 TIMING: 179400 CPU: 535.882, 0.00296091/step Wall: 535.882, 0.00296091/step, 3.96482 hours remaining, 205.582031 MB of memory in use. ENERGY: 179400 724.1319 2101.4373 1949.9186 115.4276 -206748.1528 17882.9786 0.0000 0.0000 34286.9872 -149687.2717 299.4368 -183974.2589 -149588.3588 298.3737 -27.9073 8.0101 555886.0436 2.3959 2.5710 PRESSURE: 179600 -226.192 149.277 -39.8055 149.277 -86.4763 -145.572 -39.8052 -145.572 -107.313 GPRESSURE: 179600 -235.776 197.185 -38.3237 64.7388 -10.4083 -185.703 -94.8211 -99.5041 -94.2395 PRESSAVG: 179600 -39.9566 86.1724 10.3047 86.1724 -37.064 -16.5151 10.3049 -16.515 15.5826 GPRESSAVG: 179600 -39.8338 85.4593 10.6589 85.896 -37.4033 -18.2397 9.40527 -15.3806 15.8482 TIMING: 179600 CPU: 536.478, 0.00298254/step Wall: 536.478, 0.00298254/step, 3.99362 hours remaining, 205.582031 MB of memory in use. ENERGY: 179600 721.1921 2034.5195 1947.3572 108.6820 -206463.2446 17798.7159 0.0000 0.0000 34192.5327 -149660.2452 298.6119 -183852.7780 -149562.8614 298.1259 -139.9938 -113.4747 556372.9848 -20.4793 -20.4630 PRESSURE: 179800 -311.254 -24.6832 -19.4263 -24.6818 24.7937 -138.477 -19.4269 -138.476 -85.0213 GPRESSURE: 179800 -234.772 -8.29496 -42.3026 -33.1656 -5.45273 -215.341 -74.2383 -52.1498 -26.3475 PRESSAVG: 179800 -20.3742 20.6876 32.0086 20.6877 6.43464 -68.1905 32.0085 -68.1905 59.9857 GPRESSAVG: 179800 -19.2284 19.6195 31.7098 20.5719 6.51343 -67.2248 33.4195 -69.5482 59.0175 TIMING: 179800 CPU: 537.075, 0.00298588/step Wall: 537.075, 0.00298588/step, 3.99793 hours remaining, 205.582031 MB of memory in use. ENERGY: 179800 723.4537 2076.7092 1957.4608 122.6738 -206103.6036 17543.9063 0.0000 0.0000 33998.6730 -149680.7268 296.9189 -183679.3998 -149585.8843 297.4398 -123.8273 -88.8573 557196.4263 15.3487 15.4342 PRESSURE: 180000 -16.1223 25.2484 -73.1594 25.2477 108.535 6.2558 -73.1601 6.25571 63.7847 GPRESSURE: 180000 73.8959 50.616 -54.6796 94.66 113.877 96.3586 -166.227 -6.79153 78.8984 PRESSAVG: 180000 -77.5072 22.3748 -42.9475 22.3748 -20.355 -20.8091 -42.9475 -20.809 39.9174 GPRESSAVG: 180000 -76.8316 23.6931 -41.9006 21.8114 -19.8396 -22.0765 -46.3247 -19.2106 39.5194 TIMING: 180000 CPU: 537.672, 0.0029845/step Wall: 537.672, 0.0029845/step, 3.99591 hours remaining, 205.582031 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: 180000 771.1624 2053.2466 1941.8983 108.8171 -206549.8957 17941.5163 0.0000 0.0000 34099.7879 -149633.4671 297.8019 -183733.2550 -149546.7766 297.7701 52.0657 88.8905 556559.8849 -19.3149 -19.0506 PRESSURE: 180200 70.9887 -17.3958 -97.7818 -17.3958 -119.861 118.695 -97.7823 118.696 82.5299 GPRESSURE: 180200 69.6875 -13.9821 -115.41 -31.0799 -31.2343 231.073 -165.772 -8.38054 97.0547 PRESSAVG: 180200 -36.4648 38.1112 -56.1777 38.1113 21.8398 46.8872 -56.1777 46.8873 3.8775 GPRESSAVG: 180200 -37.3449 38.2219 -56.6727 38.3596 22.684 45.4062 -54.3251 45.8027 4.16241 TIMING: 180200 CPU: 538.264, 0.00295773/step Wall: 538.264, 0.00295773/step, 3.9599 hours remaining, 205.582031 MB of memory in use. ENERGY: 180200 775.9025 2084.4979 1955.8219 115.6755 -206437.2584 17713.6472 0.0000 0.0000 34142.7705 -149648.9428 298.1773 -183791.7134 -149564.1444 297.6555 11.2193 45.1693 555353.7460 -3.5825 -3.4995 LDB: ============= START OF LOAD BALANCING ============== 541.78 LDB: ============== END OF LOAD BALANCING =============== 541.781 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 541.782 LDB: ============= START OF LOAD BALANCING ============== 542.081 LDB: Largest compute 4773 load 0.031692 is 26.9% of average load 0.117816 LDB: Average compute 0.001739 is 1.5% of average load 0.117816 LDB: TIME 542.083 LOAD: AVG 0.117816 MAX 0.205597 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.672 MB LDB: TIME 542.083 LOAD: AVG 0.117816 MAX 0.205597 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.738 MB LDB: TIME 542.083 LOAD: AVG 0.117816 MAX 0.205597 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.738 MB LDB: ============== END OF LOAD BALANCING =============== 542.085 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 542.089 PRESSURE: 180400 250.336 59.7549 -9.71624 59.7554 -186.208 106.685 -9.71622 106.686 -105.861 GPRESSURE: 180400 292.66 43.7182 -8.87546 49.6089 -110.409 83.7538 -20.7481 59.8436 -131.608 PRESSAVG: 180400 24.4099 13.5837 -24.3618 13.5837 -8.68708 -22.2694 -24.3618 -22.2694 -22.4066 GPRESSAVG: 180400 24.1176 10.6354 -23.3282 15.35 -9.76203 -20.3604 -26.6499 -21.196 -20.8745 TIMING: 180400 CPU: 538.873, 0.00304381/step Wall: 538.873, 0.00304381/step, 4.07499 hours remaining, 208.726562 MB of memory in use. ENERGY: 180400 734.3403 2064.9647 1968.9029 122.6380 -206671.7237 17903.2884 0.0000 0.0000 34179.6614 -149697.9282 298.4995 -183877.5895 -149599.6119 297.9631 -13.9109 16.8810 557394.8136 -2.2279 -2.1730 PRESSURE: 180600 -85.8241 37.2613 47.9183 37.2608 -194.129 -46.1994 47.9181 -46.2001 -83.9589 GPRESSURE: 180600 -88.2423 38.024 111.366 87.5456 -157.397 71.3225 -45.7298 -40.7656 -19.1009 PRESSAVG: 180600 25.6383 0.990198 7.25464 0.990197 -52.6365 -13.0754 7.25459 -13.0754 15.9312 GPRESSAVG: 180600 25.0801 3.59472 6.32256 0.444396 -52.4974 -11.1654 7.78039 -14.9704 15.7674 TIMING: 180600 CPU: 539.466, 0.00296708/step Wall: 539.466, 0.00296708/step, 3.97209 hours remaining, 208.929688 MB of memory in use. ENERGY: 180600 717.8594 2045.6529 1968.4247 108.5798 -205899.5657 17483.8415 0.0000 0.0000 34190.2913 -149384.9162 298.5923 -183575.2075 -149289.2685 299.1364 -121.3039 -88.2466 557340.5856 -3.6890 -3.8833 PRESSURE: 180800 31.0338 -74.3668 -53.6408 -74.3658 19.2763 -158.39 -53.641 -158.389 96.2777 GPRESSURE: 180800 49.7572 -18.0574 -122.734 -139.715 131.814 -246.898 -29.5987 -60.6388 59.7112 PRESSAVG: 180800 4.41531 -12.0675 -7.40521 -12.0674 -22.0491 -22.7681 -7.40516 -22.7682 18.4555 GPRESSAVG: 180800 4.24526 -12.4662 -8.45112 -13.1559 -22.5419 -24.2861 -5.48996 -20.2245 19.0371 TIMING: 180800 CPU: 540.06, 0.00296905/step Wall: 540.06, 0.00296905/step, 3.97457 hours remaining, 208.929688 MB of memory in use. ENERGY: 180800 756.0690 2044.0881 1957.7883 122.1293 -206388.4021 17918.1653 0.0000 0.0000 34259.7755 -149330.3866 299.1991 -183590.1622 -149235.2774 299.0213 48.8626 80.4275 557196.1172 0.2739 0.2468 PRESSURE: 181000 -142.131 12.8693 -34.3655 12.8695 -131.343 147.842 -34.3649 147.843 98.567 GPRESSURE: 181000 -135.387 53.7862 -43.2162 -67.9188 -73.5015 164.919 -45.6654 132.656 116.156 PRESSAVG: 181000 38.8094 -20.9163 -34.595 -20.9163 20.0248 29.1396 -34.595 29.1396 -27.9483 GPRESSAVG: 181000 38.4727 -21.1785 -33.3602 -18.3835 21.8783 29.9206 -34.9711 25.3924 -29.2714 TIMING: 181000 CPU: 540.657, 0.00298637/step Wall: 540.657, 0.00298637/step, 3.99759 hours remaining, 208.929688 MB of memory in use. ENERGY: 181000 726.6060 2118.9992 1953.0363 113.4199 -206089.7637 17681.8650 0.0000 0.0000 34339.9259 -149155.9113 299.8991 -183495.8373 -149063.2341 299.8058 -58.3025 -30.9109 558006.3547 10.2953 10.3599 PRESSURE: 181200 -37.9668 -2.96494 -77.1025 -2.96484 15.298 -96.1061 -77.1038 -96.1049 -150.874 GPRESSURE: 181200 -37.663 -71.2531 -64.1842 81.4008 74.4701 -77.3102 -45.4392 -69.7577 -121.475 PRESSAVG: 181200 -20.5993 56.4704 -6.94292 56.4704 38.7805 19.9743 -6.94291 19.9744 -6.44719 GPRESSAVG: 181200 -21.534 55.6263 -7.78988 53.7048 38.4332 18.3168 -6.9043 22.4776 -5.35324 TIMING: 181200 CPU: 541.253, 0.00298061/step Wall: 541.253, 0.00298061/step, 3.98972 hours remaining, 208.929688 MB of memory in use. ENERGY: 181200 713.6468 2072.3892 1970.8660 102.7587 -206305.4241 17731.2169 0.0000 0.0000 34439.2212 -149275.3253 300.7663 -183714.5465 -149174.5450 299.9069 -57.8475 -28.2228 558251.7215 3.9113 3.8486 PRESSURE: 181400 -173.28 138.123 160.895 138.124 -204.267 78.9214 160.894 78.9205 -53.2414 GPRESSURE: 181400 -167.935 168.154 256.586 203.399 -103.967 186.265 72.4111 -54.5651 -62.9911 PRESSAVG: 181400 5.46798 29.4361 -9.97663 29.4362 24.4986 18.4445 -9.97661 18.4447 -29.6485 GPRESSAVG: 181400 7.70954 29.6555 -8.69924 30.0027 23.9871 20.9066 -10.8022 17.1815 -30.4307 TIMING: 181400 CPU: 541.846, 0.00296389/step Wall: 541.846, 0.00296389/step, 3.96717 hours remaining, 208.929688 MB of memory in use. ENERGY: 181400 753.5295 2128.3994 1952.2952 112.3031 -206201.6373 17694.7670 0.0000 0.0000 34145.2972 -149415.0459 298.1994 -183560.3431 -149321.6544 299.1371 -143.5962 -111.6311 558295.8330 0.1060 0.4220 PRESSURE: 181600 -52.9412 -8.66058 19.2997 -8.65982 59.7276 28.1468 19.2994 28.1477 -1.0514 GPRESSURE: 181600 -5.0154 10.267 41.0159 10.8553 92.0952 58.1779 34.4251 -0.916039 18.1002 PRESSAVG: 181600 14.8697 -6.1039 26.1779 -6.10386 13.3412 75.9231 26.1777 75.9231 -10.7048 GPRESSAVG: 181600 14.3333 -6.63864 24.6413 -5.32312 13.5887 75.5063 26.4006 77.8828 -10.5157 TIMING: 181600 CPU: 542.439, 0.00296311/step Wall: 542.439, 0.00296311/step, 3.96595 hours remaining, 208.929688 MB of memory in use. ENERGY: 181600 683.2519 2065.8709 1972.0961 126.5149 -206246.7531 17803.9836 0.0000 0.0000 34213.7312 -149381.3045 298.7970 -183595.0357 -149282.2755 298.7603 1.9117 35.0600 556870.7483 5.8354 5.8021 PRESSURE: 181800 -17.9907 -115.035 67.8181 -115.036 -339.031 1.72154 67.8178 1.72249 96.1401 GPRESSURE: 181800 0.0342147 -120.634 9.76612 -18.7438 -314.026 -60.265 53.5509 -12.8481 154.042 PRESSAVG: 181800 58.6437 -39.4015 -45.5892 -39.4014 -75.054 17.9164 -45.5892 17.9164 4.03801 GPRESSAVG: 181800 57.7039 -37.7277 -44.2135 -39.5615 -74.3706 17.339 -46.6239 16.963 4.02256 TIMING: 181800 CPU: 543.033, 0.00296929/step Wall: 543.033, 0.00296929/step, 3.97407 hours remaining, 208.929688 MB of memory in use. ENERGY: 181800 700.0702 2137.0337 1959.0738 105.0152 -206090.5899 17583.7669 0.0000 0.0000 34318.7867 -149286.8435 299.7145 -183605.6302 -149189.0062 299.1033 -86.9606 -53.3167 557086.4223 -4.1241 -4.2147 PRESSURE: 182000 16.7763 133.278 160.695 133.278 176.694 50.5764 160.694 50.5776 -186.277 GPRESSURE: 182000 21.6764 100.319 126.501 94.9358 197.202 33.4323 166.957 -45.6344 -89.7613 PRESSAVG: 182000 31.2207 75.602 4.61157 75.602 6.45246 -22.7266 4.61164 -22.7266 -32.1651 GPRESSAVG: 182000 31.7929 76.5849 2.79945 73.3072 4.74828 -21.3163 6.41218 -21.6013 -30.8954 TIMING: 182000 CPU: 543.63, 0.00298706/step Wall: 543.63, 0.00298706/step, 3.99768 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: 182000 747.4060 2082.5499 1954.3221 107.7225 -206479.8908 17935.2638 0.0000 0.0000 34136.3708 -149516.2557 298.1214 -183652.6265 -149415.5763 298.9183 2.3977 43.0391 555496.9834 1.8360 1.8819 PRESSURE: 182200 -64.0904 74.7779 -50.6 74.7773 32.9487 167.798 -50.5998 167.798 -101.408 GPRESSURE: 182200 -27.3104 13.4395 -54.1703 116.152 56.4523 149.83 -94.7986 154.224 -76.3524 PRESSAVG: 182200 0.313233 -26.7856 -23.1661 -26.7857 78.6991 -25.0844 -23.1661 -25.0843 -53.3793 GPRESSAVG: 182200 -0.372785 -28.6531 -22.6983 -24.1791 80.3208 -24.7983 -22.8068 -26.3662 -53.9426 TIMING: 182200 CPU: 544.231, 0.00300365/step Wall: 544.231, 0.00300365/step, 4.01972 hours remaining, 208.929688 MB of memory in use. ENERGY: 182200 732.4020 2032.6025 1954.2852 129.3606 -206010.0424 17623.3401 0.0000 0.0000 34205.6371 -149332.4147 298.7263 -183538.0518 -149237.5662 299.1538 -44.1832 -15.7368 557673.1522 8.5444 8.6685 PRESSURE: 182400 112.474 -66.395 121.404 -66.3957 183.749 -88.6457 121.403 -88.646 50.638 GPRESSURE: 182400 193.806 -45.9564 147.718 -174.959 226.413 -27.2445 10.6396 -57.0095 20.3847 PRESSAVG: 182400 -2.32328 -20.4612 -9.20178 -20.4611 51.4952 -20.3266 -9.20186 -20.3267 -85.8253 GPRESSAVG: 182400 -2.48289 -19.0665 -9.25015 -21.8439 51.4839 -20.1743 -9.6701 -20.0161 -85.7687 TIMING: 182400 CPU: 544.834, 0.00301678/step Wall: 544.834, 0.00301678/step, 4.03712 hours remaining, 208.929688 MB of memory in use. ENERGY: 182400 699.5614 2115.2726 1943.8508 103.4331 -206268.9896 17916.5530 0.0000 0.0000 34264.7220 -149225.5966 299.2423 -183490.3186 -149138.9158 299.1160 115.6204 146.8678 558266.0401 -12.2178 -12.2559 PRESSURE: 182600 -67.2939 -62.4655 -42.0731 -62.4641 34.6018 1.74871 -42.0721 1.7488 -136.165 GPRESSURE: 182600 -90.4146 -75.0673 5.12982 -71.9306 63.2967 52.4736 -19.2089 -30.2307 -45.8387 PRESSAVG: 182600 -5.61307 16.9022 -4.46733 16.9022 -0.905347 10.0685 -4.46745 10.0685 10.3659 GPRESSAVG: 182600 -6.37368 15.9209 -3.71786 15.8803 -1.4586 6.86224 -5.14042 11.0644 11.0271 TIMING: 182600 CPU: 545.436, 0.00301209/step Wall: 545.436, 0.00301209/step, 4.03068 hours remaining, 208.929688 MB of memory in use. ENERGY: 182600 729.5399 2070.3510 1935.5797 105.4985 -206138.5331 17643.9891 0.0000 0.0000 34432.8031 -149220.7719 300.7102 -183653.5750 -149124.1823 299.1133 -56.2859 -24.3189 558310.0266 1.2825 1.0650 PRESSURE: 182800 40.5532 11.5052 124.673 11.5055 -14.0051 -79.962 124.672 -79.9625 -330.561 GPRESSURE: 182800 23.4016 39.686 202.039 10.2517 17.2834 -139.031 79.2533 -46.7241 -247.675 PRESSAVG: 182800 -30.2568 17.5611 -6.09164 17.5611 46.0434 30.4938 -6.09161 30.4938 -28.5663 GPRESSAVG: 182800 -29.3461 17.0407 -4.61821 17.5101 46.6262 30.0575 -8.31829 30.9932 -30.6332 TIMING: 182800 CPU: 546.032, 0.00297886/step Wall: 546.032, 0.00297886/step, 3.98604 hours remaining, 208.929688 MB of memory in use. ENERGY: 182800 759.5840 2157.4575 1934.8461 113.6173 -205886.7957 17811.3017 0.0000 0.0000 34023.2885 -149086.7005 297.1338 -183109.9890 -148989.5370 299.1986 -101.3376 -68.9967 560043.8851 -4.2599 -4.4510 PRESSURE: 183000 -115.344 247.764 192.736 247.766 -37.6851 111.39 192.736 111.39 -38.5497 GPRESSURE: 183000 -63.1615 282.543 105.851 299.066 -14.3136 89.0097 150.031 101.904 -18.6518 PRESSAVG: 183000 5.55499 42.5087 27.728 42.5087 70.6638 -0.40987 27.728 -0.409907 -68.9762 GPRESSAVG: 183000 5.29401 43.7119 28.1198 41.7634 69.9672 0.295438 29.5233 -1.0319 -67.6245 TIMING: 183000 CPU: 546.625, 0.00296204/step Wall: 546.625, 0.00296204/step, 3.96338 hours remaining, 208.929688 MB of memory in use. ENERGY: 183000 746.0400 2086.9807 1950.0532 114.7192 -206103.2440 17662.0022 0.0000 0.0000 34425.1421 -149118.3065 300.6433 -183543.4486 -149026.1134 299.4973 -63.8596 -32.0423 558440.0070 2.4142 2.5456 PRESSURE: 183200 -236.676 131.357 7.26125 131.357 93.9826 -120.015 7.26093 -120.016 -329.861 GPRESSURE: 183200 -148.673 31.1732 25.6816 155.232 47.7635 -176.761 -106.698 -87.9521 -276.607 PRESSAVG: 183200 -53.804 24.6423 23.0626 24.6423 55.3826 31.8397 23.0625 31.8396 -16.5735 GPRESSAVG: 183200 -53.3972 23.0778 23.1019 26.4924 55.2709 30.9195 22.3266 29.2155 -16.7279 TIMING: 183200 CPU: 547.222, 0.00298571/step Wall: 547.222, 0.00298571/step, 3.99488 hours remaining, 208.929688 MB of memory in use. ENERGY: 183200 730.2483 2048.2157 1933.9032 103.3076 -205503.2756 17390.4976 0.0000 0.0000 34376.0623 -148921.0409 300.2147 -183297.1031 -148821.7079 299.8885 -157.5180 -125.8389 559163.4952 -4.9983 -4.9514 PRESSURE: 183400 117.618 -176.36 -38.0533 -176.359 -145.618 160.492 -38.0547 160.493 175.817 GPRESSURE: 183400 130.155 -183.904 33.1021 -233.119 -36.882 119.923 -23.7843 156.692 144.968 PRESSAVG: 183400 -0.552928 -28.4321 21.8822 -28.432 14.2086 8.51076 21.8822 8.51066 -53.1929 GPRESSAVG: 183400 -0.768409 -27.347 20.5602 -27.3745 15.3883 9.33297 23.9948 10.5325 -53.8298 TIMING: 183400 CPU: 547.818, 0.00298278/step Wall: 547.818, 0.00298278/step, 3.99079 hours remaining, 208.929688 MB of memory in use. ENERGY: 183400 718.5623 2034.5165 1981.7181 99.9015 -206157.5809 17884.1077 0.0000 0.0000 34325.2020 -149113.5727 299.7705 -183438.7747 -149015.4027 299.3245 49.2725 79.4137 558054.2827 -13.1791 -13.0700 PRESSURE: 183600 -34.3071 -56.679 -0.119903 -56.6794 174.9 108.881 -0.120842 108.88 56.8012 GPRESSURE: 183600 10.6341 -48.9433 23.417 -58.2672 169.929 44.8931 -14.8202 149.203 111.681 PRESSAVG: 183600 67.3546 -41.6794 11.8955 -41.6795 -24.4404 42.1516 11.8955 42.1516 -78.5118 GPRESSAVG: 183600 67.6408 -41.1572 11.568 -41.9534 -24.467 43.1447 9.10713 41.5454 -78.5644 TIMING: 183600 CPU: 548.408, 0.00294733/step Wall: 548.408, 0.00294733/step, 3.9432 hours remaining, 208.929688 MB of memory in use. ENERGY: 183600 738.8679 2133.1617 1944.2246 110.1841 -206373.8333 17868.2446 0.0000 0.0000 34231.8660 -149347.2844 298.9554 -183579.1504 -149258.0711 299.0777 65.7982 97.4149 557707.9870 -11.8659 -11.7969 PRESSURE: 183800 166.673 -8.757 -30.241 -8.75845 267.851 23.2331 -30.2413 23.2329 421.657 GPRESSURE: 183800 155.575 -44.4222 -75.6127 -57.2818 326.796 -16.1064 -63.8557 -13.2235 464.444 PRESSAVG: 183800 -23.9749 -19.0444 -2.92442 -19.0444 -8.13742 1.71233 -2.92438 1.71225 37.5059 GPRESSAVG: 183800 -24.0623 -20.1383 -3.22652 -19.6462 -9.24071 1.98405 -0.724716 1.21171 38.5374 TIMING: 183800 CPU: 549.004, 0.0029828/step Wall: 549.004, 0.0029828/step, 3.99049 hours remaining, 208.929688 MB of memory in use. ENERGY: 183800 715.4730 2087.5574 1936.6019 110.9817 -206849.2797 18338.7841 0.0000 0.0000 34174.7181 -149485.1636 298.4563 -183659.8817 -149388.8165 298.6600 285.3940 315.6054 556056.6904 1.7979 1.7448 PRESSURE: 184000 -289.048 -123.938 31.3031 -123.938 -133.6 21.9749 31.3033 21.9751 -200.372 GPRESSURE: 184000 -230.315 -141.639 -25.4115 -103.593 -119.438 6.5456 8.14101 42.1731 -180.366 PRESSAVG: 184000 -59.5534 -18.6204 22.4543 -18.6204 -0.570489 -14.0736 22.4542 -14.0736 71.8042 GPRESSAVG: 184000 -59.3594 -20.1087 22.4911 -16.4604 0.0628348 -14.0936 21.45 -14.4279 70.9752 TIMING: 184000 CPU: 549.604, 0.00299901/step Wall: 549.604, 0.00299901/step, 4.01201 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: 184000 726.3517 2044.8404 1934.2558 112.6680 -206021.6135 17546.2252 0.0000 0.0000 34386.1624 -149271.1100 300.3029 -183657.2724 -149171.7147 298.5044 -207.6734 -176.7062 557620.9880 3.8934 3.8929 PRESSURE: 184200 -351.821 -141.507 -108.4 -141.506 -41.885 79.1729 -108.401 79.1735 211.498 GPRESSURE: 184200 -356.707 -117.226 -115.497 -109.562 16.9739 32.9699 -39.1629 111.746 245.029 PRESSAVG: 184200 1.42868 -37.5935 35.6285 -37.5935 4.08744 1.50556 35.6285 1.5055 -19.0956 GPRESSAVG: 184200 2.42873 -37.7296 35.7501 -40.1672 3.46708 1.15313 36.6497 2.24523 -19.552 TIMING: 184200 CPU: 550.198, 0.0029712/step Wall: 550.198, 0.0029712/step, 3.97465 hours remaining, 208.929688 MB of memory in use. ENERGY: 184200 738.9868 2090.8961 1963.9231 108.5637 -206255.5062 17849.3803 0.0000 0.0000 34362.0713 -149141.6847 300.0925 -183503.7560 -149046.1240 299.3183 -60.7360 -31.5680 558309.2517 -4.5265 -4.5521 LDB: ============= START OF LOAD BALANCING ============== 553.712 LDB: ============== END OF LOAD BALANCING =============== 553.712 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 553.713 LDB: ============= START OF LOAD BALANCING ============== 554.01 LDB: Largest compute 4773 load 0.030513 is 25.9% of average load 0.117746 LDB: Average compute 0.001734 is 1.5% of average load 0.117746 LDB: TIME 554.012 LOAD: AVG 0.117746 MAX 0.207259 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.23 MB LDB: TIME 554.013 LOAD: AVG 0.117746 MAX 0.207259 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.234 MB LDB: TIME 554.013 LOAD: AVG 0.117746 MAX 0.207259 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.234 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 554.014 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 554.018 PRESSURE: 184400 -108.806 -24.55 64.9588 -24.5508 -146.675 -38.111 64.9598 -38.1105 110.657 GPRESSURE: 184400 -77.1941 -22.0869 70.3912 -0.641225 -106.954 -85.345 73.5929 29.1663 130.006 PRESSAVG: 184400 -38.013 -35.4329 5.76898 -35.433 29.3981 -28.9692 5.76905 -28.9692 42.8866 GPRESSAVG: 184400 -38.829 -33.9614 6.08043 -34.4122 29.4207 -26.5927 4.90354 -30.1021 43.8676 TIMING: 184400 CPU: 550.802, 0.00301748/step Wall: 550.802, 0.00301748/step, 4.03638 hours remaining, 205.714844 MB of memory in use. ENERGY: 184400 763.8428 2053.6881 1968.5086 111.7253 -206014.0560 17858.5845 0.0000 0.0000 34296.5256 -148961.1811 299.5201 -183257.7067 -148862.5720 300.0719 -48.2744 -18.0475 558098.5868 11.4239 11.4864 PRESSURE: 184600 -106.992 7.91843 -8.10599 7.91872 -200.247 93.1368 -8.10493 93.1378 -127.63 GPRESSURE: 184600 2.85114 -21.4677 30.6077 -86.8246 -194.807 200.898 19.9425 25.1187 -144.014 PRESSAVG: 184600 -5.96207 -45.2833 -20.1255 -45.2832 20.9283 2.89951 -20.1255 2.89954 38.7636 GPRESSAVG: 184600 -5.94575 -46.5077 -19.1404 -45.811 22.3667 1.20392 -19.7011 3.61706 37.5326 TIMING: 184600 CPU: 551.393, 0.00295417/step Wall: 551.393, 0.00295417/step, 3.95154 hours remaining, 205.753906 MB of memory in use. ENERGY: 184600 760.1402 2086.0537 1948.3503 103.7085 -205864.7234 17549.1627 0.0000 0.0000 34313.3172 -149103.9907 299.6667 -183417.3079 -149004.4000 299.9637 -144.9564 -111.9898 557320.3883 17.9100 17.9845 PRESSURE: 184800 89.2634 -123.145 -37.3024 -123.146 -125.755 7.72041 -37.3037 7.71964 -136.149 GPRESSURE: 184800 104.26 -196.065 -36.0848 -31.6216 -76.9156 26.7583 -122.304 9.84534 -99.1686 PRESSAVG: 184800 -31.1493 -27.039 8.23642 -27.039 13.0464 19.1646 8.23643 19.1647 -9.51888 GPRESSAVG: 184800 -31.6414 -26.6716 8.49126 -26.6021 13.3786 20.027 6.27759 19.2225 -9.96347 TIMING: 184800 CPU: 551.989, 0.00298255/step Wall: 551.989, 0.00298255/step, 3.98933 hours remaining, 205.753906 MB of memory in use. ENERGY: 184800 746.0016 2051.1844 1969.1176 110.3701 -206130.4509 17821.9873 0.0000 0.0000 34222.5967 -149209.1933 298.8744 -183431.7900 -149117.2364 299.3464 -57.5467 -23.9413 559363.6318 -9.2073 -9.4087 PRESSURE: 185000 98.0666 -6.15475 -21.7895 -6.15454 105.01 25.0248 -21.7892 25.0258 -104.153 GPRESSURE: 185000 106.718 16.3254 104.32 35.3462 112.086 23.3878 -89.805 28.8925 -17.4404 PRESSAVG: 185000 -15.2502 -29.7869 -49.9846 -29.7869 52.2922 -17.2369 -49.9846 -17.2369 1.6113 GPRESSAVG: 185000 -15.2095 -29.5042 -51.3522 -29.4665 51.4341 -16.0339 -49.091 -18.4256 2.2724 TIMING: 185000 CPU: 552.58, 0.00295504/step Wall: 552.58, 0.00295504/step, 3.95237 hours remaining, 205.753906 MB of memory in use. ENERGY: 185000 717.5981 2001.9031 1977.2844 114.6350 -206269.6473 17828.3266 0.0000 0.0000 34268.0576 -149361.8425 299.2715 -183629.9001 -149263.8641 299.1660 32.9744 67.1213 556586.7363 12.8844 12.8323 PRESSURE: 185200 -215.235 18.2771 74.727 18.2782 -49.7682 54.3241 74.7266 54.3219 -210.302 GPRESSURE: 185200 -187.196 117.397 69.3987 -3.01153 -9.3213 44.6251 123.53 87.3185 -185.488 PRESSAVG: 185200 17.9607 20.9954 39.1306 20.9954 16.4279 -39.4616 39.1306 -39.4617 2.20336 GPRESSAVG: 185200 18.0021 20.4256 41.4653 20.881 15.6823 -41.474 38.7121 -39.4021 2.50131 TIMING: 185200 CPU: 553.174, 0.00296661/step Wall: 553.174, 0.00296661/step, 3.96768 hours remaining, 205.753906 MB of memory in use. ENERGY: 185200 714.3971 2055.2246 1950.5772 116.0273 -206070.8292 17555.6796 0.0000 0.0000 34217.8532 -149461.0701 298.8330 -183678.9233 -149362.8429 298.7644 -158.4351 -127.3350 556249.0157 12.1973 12.0619 PRESSURE: 185400 101.712 194.237 80.0002 194.238 -29.3934 -77.4385 80.0002 -77.4383 -54.1242 GPRESSURE: 185400 107.174 84.4085 59.1849 224.844 -13.6594 -51.1019 70.6564 -75.6831 0.572003 PRESSAVG: 185400 -21.048 -4.80715 66.7839 -4.80713 7.65074 30.7585 66.7839 30.7585 7.18946 GPRESSAVG: 185400 -20.8825 -5.13301 64.1859 -5.90343 8.16416 29.9811 69.3791 32.1373 6.86256 TIMING: 185400 CPU: 553.765, 0.00295699/step Wall: 553.765, 0.00295699/step, 3.95465 hours remaining, 205.753906 MB of memory in use. ENERGY: 185400 719.5973 2048.7198 1952.0563 106.1415 -206299.6502 17738.0551 0.0000 0.0000 34483.6672 -149251.4131 301.1544 -183735.0802 -149157.9744 298.5621 6.0648 31.3623 556311.3364 -2.0693 -1.9519 PRESSURE: 185600 220.105 -21.6501 -52.8833 -21.6498 -99.067 37.0767 -52.8844 37.0779 -7.45488 GPRESSURE: 185600 267.689 19.2593 -37.3301 -34.7495 -87.2179 28.965 -113.332 81.6644 27.5646 PRESSAVG: 185600 -7.52684 55.3342 7.25743 55.334 41.3359 -12.4478 7.25725 -12.4478 -42.3346 GPRESSAVG: 185600 -7.31368 55.3984 8.78851 55.8072 42.4096 -11.5331 4.88294 -15.4421 -43.2592 TIMING: 185600 CPU: 554.358, 0.00296629/step Wall: 554.358, 0.00296629/step, 3.96691 hours remaining, 205.753906 MB of memory in use. ENERGY: 185600 731.0009 2115.6345 1974.8910 110.1294 -206011.9582 17674.0526 0.0000 0.0000 34143.9727 -149262.2774 298.1878 -183406.2500 -149168.8408 299.5021 37.8611 69.3453 556201.6984 -2.8418 -2.7211 PRESSURE: 185800 -108.542 65.1197 26.1423 65.1199 -209.878 -68.8018 26.1423 -68.8009 170.42 GPRESSURE: 185800 -83.2471 85.6267 45.3085 1.28868 -112.431 60.7589 16.7062 -137.421 152.603 PRESSAVG: 185800 27.5684 -1.50601 -35.2925 -1.50596 -73.7302 -32.6179 -35.2925 -32.618 9.33738 GPRESSAVG: 185800 28.4997 -1.0164 -36.4175 0.557566 -75.2485 -32.4378 -34.7646 -29.7973 8.95069 TIMING: 185800 CPU: 554.953, 0.00297555/step Wall: 554.953, 0.00297555/step, 3.97914 hours remaining, 205.753906 MB of memory in use. ENERGY: 185800 724.5250 2097.1966 1942.7724 109.7995 -205685.1225 17541.9046 0.0000 0.0000 34175.6116 -149093.3128 298.4641 -183268.9244 -149001.1270 298.6954 -49.3333 -14.3584 556826.7409 -12.2748 -12.5994 PRESSURE: 186000 -136.909 -3.09472 16.1257 -3.09428 43.4298 121.768 16.1261 121.768 49.0356 GPRESSURE: 186000 -143.439 -53.582 -77.7756 80.0145 109.895 79.8431 2.85145 133.717 74.5581 PRESSAVG: 186000 -32.4197 37.9572 -37.8767 37.9572 33.6656 19.3407 -37.8767 19.3406 27.8177 GPRESSAVG: 186000 -34.5525 39.6722 -38.224 36.7129 34.762 17.6713 -38.6474 20.5781 28.0711 TIMING: 186000 CPU: 555.548, 0.00297316/step Wall: 555.548, 0.00297316/step, 3.97577 hours remaining, 205.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 186000 725.4009 2096.0662 1958.9839 103.9035 -206198.2882 17791.9153 0.0000 0.0000 34321.3355 -149200.6828 299.7368 -183522.0183 -149112.0520 299.8506 -14.8147 13.6713 557164.6678 9.6879 9.4269 PRESSURE: 186200 83.1178 -178.494 88.9864 -178.495 -194.02 97.0983 88.9868 97.0974 143.411 GPRESSURE: 186200 169.006 -194.949 185.016 -230.062 -173.807 103.023 30.4122 59.3357 134.985 PRESSAVG: 186200 -34.1094 -1.76953 -18.3411 -1.76947 9.63246 50.9922 -18.3411 50.9922 -16.9013 GPRESSAVG: 186200 -33.2022 -2.61956 -17.9058 -2.68036 9.15442 52.8023 -17.9352 49.5175 -17.557 TIMING: 186200 CPU: 556.143, 0.0029773/step Wall: 556.143, 0.0029773/step, 3.98114 hours remaining, 205.753906 MB of memory in use. ENERGY: 186200 792.5583 2077.5014 1977.0728 114.3952 -206018.9499 17658.3700 0.0000 0.0000 34158.5244 -149240.5278 298.3149 -183399.0522 -149145.0144 299.2617 10.8364 43.3948 558051.8560 -13.7928 -13.8683 PRESSURE: 186400 -178.908 -36.878 160.655 -36.8777 68.2957 -76.3229 160.656 -76.3208 456.677 GPRESSURE: 186400 -110.139 -72.9441 85.5103 -51.0562 118.118 -3.46976 210.545 -88.36 427.684 PRESSAVG: 186400 5.50765 11.7619 -5.48018 11.762 -64.4635 -17.6178 -5.48025 -17.6179 83.1997 GPRESSAVG: 186400 5.89715 12.4724 -5.7974 12.1308 -62.0458 -17.6484 -5.08991 -18.3718 81.284 TIMING: 186400 CPU: 556.74, 0.0029833/step Wall: 556.74, 0.0029833/step, 3.989 hours remaining, 205.753906 MB of memory in use. ENERGY: 186400 696.2055 2059.1615 1950.8602 129.4064 -206439.0604 17965.9140 0.0000 0.0000 34376.3403 -149261.1725 300.2171 -183637.5128 -149162.7133 299.5721 115.3547 145.2213 557138.0607 8.0813 8.3784 PRESSURE: 186600 74.981 121.472 -85.9903 121.472 105.213 146.38 -85.9904 146.378 -222.871 GPRESSURE: 186600 105.865 176.52 -54.7697 36.0031 125.005 82.0995 -60.7664 188.939 -170.623 PRESSAVG: 186600 -101.27 28.2822 25.7963 28.2823 43.4843 7.27138 25.7964 7.27145 71.8608 GPRESSAVG: 186600 -100.39 27.0104 26.988 28.4513 40.4198 5.85412 25.4596 8.09871 73.9295 TIMING: 186600 CPU: 557.339, 0.00299308/step Wall: 557.339, 0.00299308/step, 4.00192 hours remaining, 205.753906 MB of memory in use. ENERGY: 186600 767.9238 2119.2810 1943.7293 114.9698 -206510.1577 17919.5754 0.0000 0.0000 34443.4368 -149201.2417 300.8031 -183644.6785 -149103.5472 299.6840 -14.2255 20.0825 556235.4513 4.6918 4.6531 PRESSURE: 186800 18.9014 -54.5952 -28.5848 -54.5944 18.36 -113.7 -28.5844 -113.699 248.078 GPRESSURE: 186800 36.4587 -60.3536 66.1237 -81.032 57.2285 -61.008 -54.3044 -62.2174 296.958 PRESSAVG: 186800 15.9071 17.9427 -31.5648 17.9428 30.3088 -15.06 -31.5647 -15.0598 -40.9395 GPRESSAVG: 186800 15.2488 20.1542 -31.5882 16.5867 31.0941 -14.8845 -30.9545 -15.1124 -41.1296 TIMING: 186800 CPU: 557.937, 0.00299348/step Wall: 557.937, 0.00299348/step, 4.00228 hours remaining, 205.753906 MB of memory in use. ENERGY: 186800 761.6636 2091.4532 1962.4585 118.6527 -206595.1029 18084.4688 0.0000 0.0000 34313.9104 -149262.4958 299.6719 -183576.4062 -149168.3194 299.7085 95.1130 130.2149 557474.7825 1.7588 1.7378 PRESSURE: 187000 11.2962 -132.455 21.3433 -132.453 63.2876 24.7395 21.3427 24.738 -359.952 GPRESSURE: 187000 14.8513 -113.386 -94.0104 -102.392 117.626 -44.3696 36.2756 100.527 -319.811 PRESSAVG: 187000 98.5312 13.7633 -37.4059 13.7634 -11.7725 -25.4637 -37.406 -25.4636 -21.1374 GPRESSAVG: 187000 98.6603 11.6856 -37.7316 15.4766 -11.8347 -24.7806 -37.946 -24.5959 -20.8595 TIMING: 187000 CPU: 558.54, 0.00301504/step Wall: 558.54, 0.00301504/step, 4.03094 hours remaining, 205.753906 MB of memory in use. ENERGY: 187000 789.2152 2095.6320 1970.5879 104.6674 -206024.8892 17691.7288 0.0000 0.0000 34208.1901 -149164.8679 298.7486 -183373.0579 -149067.1756 300.1665 -95.1228 -62.4446 557171.1240 21.8738 21.9887 PRESSURE: 187200 -81.6176 -233.129 20.9755 -233.129 -209.833 80.8963 20.9751 80.8971 57.5921 GPRESSURE: 187200 -24.6413 -146.095 -28.8465 -297.875 -200.615 20.4384 48.5964 121.921 84.5741 PRESSAVG: 187200 58.32 -49.6951 -30.2904 -49.6952 30.4469 -20.9117 -30.2905 -20.9117 -50.7326 GPRESSAVG: 187200 57.2289 -49.3637 -30.8592 -48.8293 31.3769 -20.7278 -29.3356 -20.8655 -51.1876 TIMING: 187200 CPU: 559.139, 0.00299411/step Wall: 559.139, 0.00299411/step, 4.00279 hours remaining, 205.753906 MB of memory in use. ENERGY: 187200 770.1143 2066.5897 1950.6470 112.3111 -205979.4276 17701.7385 0.0000 0.0000 34224.2566 -149153.7703 298.8889 -183378.0269 -149059.2935 299.4987 -77.9527 -46.8940 559418.3197 12.6781 12.4727 PRESSURE: 187400 -106.375 172.639 -137.206 172.638 4.17548 108.75 -137.206 108.749 -63.8609 GPRESSURE: 187400 -6.08536 153.515 -106.839 240.548 17.9709 86.1576 -164.817 48.295 -79.1431 PRESSAVG: 187400 -13.2572 16.9026 25.7919 16.9027 -5.88479 41.5529 25.7919 41.553 21.9073 GPRESSAVG: 187400 -13.3091 14.6213 24.3317 16.8392 -5.90225 39.8551 26.9386 41.922 21.7981 TIMING: 187400 CPU: 559.737, 0.00299119/step Wall: 559.737, 0.00299119/step, 3.99873 hours remaining, 205.753906 MB of memory in use. ENERGY: 187400 727.2261 2048.0420 1954.3264 105.2981 -206218.7326 17675.9995 0.0000 0.0000 34488.2578 -149219.5827 301.1945 -183707.8405 -149117.7887 299.1702 -55.3537 -22.4192 557753.7519 0.9218 0.8622 PRESSURE: 187600 -285.762 17.3415 29.4218 17.3406 -129.643 130.99 29.422 130.988 4.07814 GPRESSURE: 187600 -234.185 32.3921 83.9647 -70.0103 -83.8193 134.658 -30.4037 141.203 13.5935 PRESSAVG: 187600 -65.5822 38.829 12.1586 38.8289 21.5902 14.7158 12.1585 14.7159 -1.58374 GPRESSAVG: 187600 -64.3397 41.1402 14.3571 38.3166 20.8441 16.7289 12.2617 13.016 -1.69471 TIMING: 187600 CPU: 560.338, 0.00300022/step Wall: 560.338, 0.00300022/step, 4.01062 hours remaining, 205.753906 MB of memory in use. ENERGY: 187600 792.5809 2080.9015 1958.5818 112.7832 -205616.7102 17470.1942 0.0000 0.0000 33925.2157 -149276.4529 296.2773 -183201.6686 -149187.9042 299.3096 -137.1090 -101.4702 558511.1818 -15.1919 -15.0634 PRESSURE: 187800 1.08304 59.3052 64.3329 59.3048 95.8778 -115.611 64.3326 -115.613 75.9685 GPRESSURE: 187800 75.0122 87.234 79.2818 37.042 115.453 -153.974 90.5031 -53.509 73.4254 PRESSAVG: 187800 -29.4557 -23.3263 1.57452 -23.3262 14.8377 33.7996 1.57448 33.7996 0.358994 GPRESSAVG: 187800 -30.0475 -24.8032 3.42967 -22.9083 14.6569 32.6715 -0.0703581 34.3995 0.976373 TIMING: 187800 CPU: 560.934, 0.00298422/step Wall: 560.934, 0.00298422/step, 3.98907 hours remaining, 205.753906 MB of memory in use. ENERGY: 187800 735.7143 2123.2970 1931.1615 116.7516 -206048.9026 17610.8710 0.0000 0.0000 34194.4250 -149336.6822 298.6284 -183531.1072 -149247.2819 299.1799 57.6431 87.9635 555194.2721 -4.7530 -4.8047 PRESSURE: 188000 -331.477 18.6818 92.3433 18.6819 53.6685 45.7196 92.3438 45.7192 -136.741 GPRESSURE: 188000 -248.487 5.52113 50.5482 25.9857 97.6988 98.0527 86.2914 59.4708 -158.673 PRESSAVG: 188000 -31.4514 2.17354 17.6716 2.17353 -18.4901 14.2074 17.6717 14.2074 79.552 GPRESSAVG: 188000 -31.5551 0.553771 14.5196 2.05796 -19.6538 13.8853 16.8125 16.101 80.8191 TIMING: 188000 CPU: 561.534, 0.00300054/step Wall: 561.534, 0.00300054/step, 4.01072 hours remaining, 205.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 188000 717.6293 2094.8280 1949.8034 109.1676 -206375.4225 17742.0414 0.0000 0.0000 34351.9538 -149409.9989 300.0042 -183761.9528 -149314.2455 298.7169 -138.1831 -103.1536 558639.9201 9.8702 9.8701 PRESSURE: 188200 -269.432 24.7443 -95.0544 24.7436 -253.948 71.5532 -95.0541 71.5532 -58.992 GPRESSURE: 188200 -207.549 40.6917 -78.6291 31.1997 -244.04 22.1421 -53.3902 95.9587 -29.5902 PRESSAVG: 188200 -5.26615 26.2351 -19.6773 26.235 -36.112 9.17675 -19.6773 9.1767 -33.1523 GPRESSAVG: 188200 -4.89741 28.3869 -19.1169 27.0502 -34.0019 10.7114 -17.9035 6.74973 -35.1682 TIMING: 188200 CPU: 562.133, 0.00299373/step Wall: 562.133, 0.00299373/step, 4.00146 hours remaining, 205.753906 MB of memory in use. ENERGY: 188200 736.3530 2079.9462 1942.9977 110.4938 -206011.5263 17555.5761 0.0000 0.0000 34282.8091 -149303.3503 299.4003 -183586.1594 -149205.3406 299.6988 -194.1241 -160.3929 558040.1215 -24.8435 -24.6891 LDB: ============= START OF LOAD BALANCING ============== 565.648 LDB: ============== END OF LOAD BALANCING =============== 565.648 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 565.65 LDB: ============= START OF LOAD BALANCING ============== 565.944 LDB: Largest compute 4773 load 0.030336 is 25.7% of average load 0.117813 LDB: Average compute 0.001731 is 1.5% of average load 0.117813 LDB: TIME 565.946 LOAD: AVG 0.117813 MAX 0.207001 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.457 MB LDB: TIME 565.946 LOAD: AVG 0.117813 MAX 0.207001 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.66 MB LDB: TIME 565.947 LOAD: AVG 0.117813 MAX 0.207001 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.66 MB LDB: ============== END OF LOAD BALANCING =============== 565.948 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 565.952 PRESSURE: 188400 59.8646 32.3981 60.9313 32.3994 -199.799 -52.4674 60.9311 -52.4679 22.7205 GPRESSURE: 188400 118.941 116.83 202.864 -32.8243 -181.512 10.1788 12.2386 -17.8628 37.0583 PRESSAVG: 188400 -2.37607 31.0244 -16.8097 31.0245 -35.9683 -9.91847 -16.8097 -9.91838 15.409 GPRESSAVG: 188400 -2.13516 31.393 -17.5893 27.9347 -36.4078 -7.5364 -15.6996 -10.1341 16.0072 TIMING: 188400 CPU: 562.736, 0.00301197/step Wall: 562.736, 0.00301197/step, 4.02566 hours remaining, 206.613281 MB of memory in use. ENERGY: 188400 713.3735 2079.2843 1959.5307 111.3195 -205787.8433 17578.1808 0.0000 0.0000 34021.3036 -149324.8508 297.1165 -183346.1545 -149234.1972 298.8374 -39.0713 -8.5041 557409.2475 -7.6451 -7.5119 PRESSURE: 188600 363.918 -251.39 -8.78206 -251.388 8.21328 39.8516 -8.78078 39.8516 174.171 GPRESSURE: 188600 395.746 -309.261 -25.7256 -219.994 72.0272 26.4642 -46.3157 33.1114 168.229 PRESSAVG: 188600 -0.838988 -29.3875 -13.4563 -29.3874 -71.5695 11.8595 -13.4563 11.8594 47.4467 GPRESSAVG: 188600 -1.43791 -31.7769 -11.8093 -25.5534 -70.5472 10.0316 -13.6487 13.2021 47.08 TIMING: 188600 CPU: 563.329, 0.00296506/step Wall: 563.329, 0.00296506/step, 3.9628 hours remaining, 206.625000 MB of memory in use. ENERGY: 188600 747.6009 2078.8453 1940.0400 112.2751 -206396.5731 17981.7215 0.0000 0.0000 34198.6041 -149337.4862 298.6649 -183536.0904 -149235.5464 298.6235 182.1009 212.0007 554971.9825 -8.3206 -8.3017 PRESSURE: 188800 -53.7232 -16.7888 -193.389 -16.7886 29.0571 -18.1128 -193.389 -18.1136 -175.347 GPRESSURE: 188800 0.895842 -38.5625 -254.005 -28.4911 19.5415 21.2956 -115.179 -54.7873 -126.537 PRESSAVG: 188800 32.1237 -4.16015 -97.1172 -4.16015 -37.6326 10.7972 -97.1172 10.7972 24.3356 GPRESSAVG: 188800 32.2132 -2.55885 -98.2912 -5.63887 -38.1679 10.4843 -98.3665 11.1928 24.8971 TIMING: 188800 CPU: 563.922, 0.00296568/step Wall: 563.922, 0.00296568/step, 3.96346 hours remaining, 206.625000 MB of memory in use. ENERGY: 188800 749.4366 2109.0993 1942.2562 97.3598 -205927.8209 17635.8985 0.0000 0.0000 33968.2362 -149425.5343 296.6531 -183393.7705 -149335.4430 298.2054 -66.6712 -35.3666 557171.0320 6.2756 6.3141 PRESSURE: 189000 53.6693 202.577 -102.891 202.576 -79.1519 14.5543 -102.891 14.556 242.505 GPRESSURE: 189000 66.7106 155.963 -51.5223 231.138 6.13651 2.55315 -81.7976 -0.326298 247.19 PRESSAVG: 189000 -21.401 10.8851 -82.1057 10.8851 -20.122 -1.13499 -82.1056 -1.13494 33.453 GPRESSAVG: 189000 -21.1913 11.4201 -82.1407 10.1956 -20.7763 -1.95999 -81.1442 -2.06565 34.7941 TIMING: 189000 CPU: 564.522, 0.00300028/step Wall: 564.522, 0.00300028/step, 4.00954 hours remaining, 206.625000 MB of memory in use. ENERGY: 189000 745.7896 2078.3786 1967.0085 114.2469 -206254.0387 17984.0412 0.0000 0.0000 33942.4480 -149422.1260 296.4278 -183364.5740 -149335.4531 297.6833 72.3409 106.6792 558401.5158 -2.6900 -2.3912 PRESSURE: 189200 8.33466 -64.9904 -108.887 -64.9894 80.0509 -100.278 -108.887 -100.279 151.673 GPRESSURE: 189200 54.3018 -59.3357 -120.888 -111.486 131.012 -112.49 -66.3125 -96.4281 154.751 PRESSAVG: 189200 -20.1749 25.9754 -13.8514 25.9754 -40.2305 6.32097 -13.8514 6.32097 80.1127 GPRESSAVG: 189200 -21.2905 26.2834 -14.7311 24.934 -39.2609 5.18304 -12.8982 7.13892 79.9396 TIMING: 189200 CPU: 565.118, 0.00297966/step Wall: 565.118, 0.00297966/step, 3.98183 hours remaining, 206.625000 MB of memory in use. ENERGY: 189200 734.1658 2036.4199 1916.5222 113.0484 -206560.1219 18029.1503 0.0000 0.0000 34501.2579 -149229.5573 301.3081 -183730.8153 -149131.8849 298.7220 80.0194 113.3549 557385.6491 6.5691 6.4627 PRESSURE: 189400 -66.1704 122.449 31.7974 122.449 40.5738 166.782 31.7969 166.784 108.414 GPRESSURE: 189400 -4.19542 196.758 -7.8788 4.82835 30.0538 116.632 111.921 149.332 131.725 PRESSAVG: 189400 -1.23417 -25.2595 4.58884 -25.2596 -51.268 31.7957 4.58884 31.7955 25.7488 GPRESSAVG: 189400 -1.15031 -25.6512 4.78847 -23.6189 -51.3043 32.2258 3.8923 30.872 26.0251 TIMING: 189400 CPU: 565.714, 0.00298065/step Wall: 565.714, 0.00298065/step, 3.98297 hours remaining, 206.625000 MB of memory in use. ENERGY: 189400 749.6486 2073.3963 1931.4703 107.6093 -206304.7220 17899.6203 0.0000 0.0000 34167.9920 -149374.9850 298.3976 -183542.9771 -149281.9846 298.4238 27.6059 52.5279 558471.0822 -8.9178 -8.8099 PRESSURE: 189600 -54.7057 -44.7838 131.471 -44.784 70.0543 -39.1154 131.471 -39.1177 206.618 GPRESSURE: 189600 -10.3255 -12.7255 225.918 -21.2052 102.937 -39.5676 204.254 -73.3885 221.855 PRESSAVG: 189600 -70.8575 -4.59387 50.1891 -4.59381 29.6882 -7.6156 50.1891 -7.61567 47.7157 GPRESSAVG: 189600 -69.7083 -4.18381 52.7426 -5.24005 28.795 -6.8586 50.3491 -8.83506 47.569 TIMING: 189600 CPU: 566.313, 0.00299731/step Wall: 566.313, 0.00299731/step, 4.00507 hours remaining, 206.625000 MB of memory in use. ENERGY: 189600 711.5143 2084.1629 1942.9904 110.5768 -206731.2290 18047.8300 0.0000 0.0000 34321.8781 -149512.2766 299.7415 -183834.1547 -149418.6972 298.5737 73.9890 104.8221 558151.6645 2.1821 2.2186 PRESSURE: 189800 -124.772 -58.0465 -49.4093 -58.0455 -100.382 -49.397 -49.4093 -49.3971 307.07 GPRESSURE: 189800 -70.5361 -0.996576 -82.7548 12.9444 -48.1076 19.443 -36.7278 -39.203 298.712 PRESSAVG: 189800 -29.7165 5.11385 60.6127 5.1139 -10.146 -1.37017 60.6126 -1.3702 29.8041 GPRESSAVG: 189800 -30.5358 5.14287 59.3077 5.42482 -9.5642 -0.298276 60.8851 0.534731 29.8084 TIMING: 189800 CPU: 566.91, 0.00298221/step Wall: 566.91, 0.00298221/step, 3.98474 hours remaining, 206.625000 MB of memory in use. ENERGY: 189800 727.3331 2118.8988 1935.3585 97.9005 -206171.3263 17704.7686 0.0000 0.0000 33946.2542 -149640.8126 296.4611 -183587.0668 -149546.9788 297.8848 27.3052 60.0229 556022.4675 -3.3528 -3.4306 PRESSURE: 190000 -33.3997 -39.1205 -87.104 -39.1221 -59.5641 -3.21404 -87.1027 -3.21466 30.1696 GPRESSURE: 190000 -5.02283 -60.7986 -41.8055 58.5364 -11.1953 -64.315 -87.4918 24.2727 53.4856 PRESSAVG: 190000 50.1389 29.1978 -16.2636 29.1978 -68.7095 47.5396 -16.2636 47.5397 2.01919 GPRESSAVG: 190000 51.3051 27.6389 -16.8743 29.4216 -68.0815 45.6521 -16.441 46.4161 0.226704 TIMING: 190000 CPU: 567.504, 0.00297267/step Wall: 567.504, 0.00297267/step, 3.97182 hours remaining, 206.625000 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: 190000 729.4584 2043.8501 1949.6594 111.2091 -206379.7015 17772.6214 0.0000 0.0000 34254.2157 -149518.6876 299.1506 -183772.9032 -149422.4665 297.9737 -20.9314 12.4225 557505.0113 -5.5171 -5.5165 PRESSURE: 190200 -93.325 -78.4228 -98.4091 -78.4234 79.4154 -23.5732 -98.409 -23.5731 4.26762 GPRESSURE: 190200 -95.9203 -95.1655 -104.19 -48.2207 107.819 -85.566 -118.23 -44.7865 87.8354 PRESSAVG: 190200 21.5582 -31.9584 26.147 -31.9584 -26.0031 -0.812932 26.147 -0.812962 16.7922 GPRESSAVG: 190200 20.7461 -31.192 27.5212 -32.4305 -25.2254 0.736652 26.7248 0.856069 17.553 TIMING: 190200 CPU: 568.098, 0.00296778/step Wall: 568.098, 0.00296778/step, 3.96511 hours remaining, 206.625000 MB of memory in use. ENERGY: 190200 731.9390 2058.0044 1944.6580 127.2242 -206332.8860 17815.1198 0.0000 0.0000 34246.3161 -149409.6245 299.0816 -183655.9406 -149310.7546 298.6282 -3.2140 33.2448 557478.4831 4.1158 4.3579 PRESSURE: 190400 -117.851 244.234 6.59083 244.234 -80.7608 54.2232 6.59066 54.2229 -173.672 GPRESSURE: 190400 -111.97 346.912 -27.6588 232.965 -42.8043 82.3956 49.0891 39.3058 -123.929 PRESSAVG: 190400 15.8249 -16.5498 34.0988 -16.5498 5.29817 67.5624 34.0989 67.5623 -14.0952 GPRESSAVG: 190400 15.0977 -15.7442 33.4386 -18.9755 3.63016 66.6009 33.9808 67.4319 -11.9619 TIMING: 190400 CPU: 568.697, 0.00299446/step Wall: 568.697, 0.00299446/step, 4.0006 hours remaining, 206.625000 MB of memory in use. ENERGY: 190400 747.3168 2110.9167 1949.0099 119.9408 -206307.3551 17768.8055 0.0000 0.0000 34248.4502 -149362.9152 299.1002 -183611.3654 -149275.6024 299.3170 -124.0944 -92.9013 559198.3143 2.3426 2.2553 PRESSURE: 190600 -200.338 62.1139 177.214 62.114 -488.328 -54.0274 177.213 -54.0284 -347.486 GPRESSURE: 190600 -191.989 98.1049 183.464 13.9697 -401.257 -137.343 226.978 -71.7344 -357.1 PRESSAVG: 190600 6.42466 20.5939 49.9615 20.5939 27.8544 39.1021 49.9615 39.1023 -29.3414 GPRESSAVG: 190600 8.10702 19.0834 49.248 22.2681 29.0866 38.8516 48.7774 37.7706 -31.7154 TIMING: 190600 CPU: 569.294, 0.00298566/step Wall: 569.294, 0.00298566/step, 3.98867 hours remaining, 206.625000 MB of memory in use. ENERGY: 190600 748.2041 2116.2100 1935.4042 119.1307 -206042.4017 17503.3865 0.0000 0.0000 34277.0993 -149342.9667 299.3504 -183620.0661 -149247.1680 299.4084 -345.3843 -316.7816 558127.8255 1.6459 1.8261 PRESSURE: 190800 120.563 -92.4853 85.9259 -92.4846 6.33014 68.3603 85.9276 68.3608 99.7054 GPRESSURE: 190800 156.04 -84.8531 -48.6473 -22.5795 48.1559 48.5651 82.3698 2.97452 122.099 PRESSAVG: 190800 -0.316917 -14.919 49.9047 -14.919 0.435279 -22.2219 49.9047 -22.2219 20.9751 GPRESSAVG: 190800 0.298042 -13.8236 50.9381 -14.4912 0.438975 -21.2813 49.7011 -21.9753 20.9011 TIMING: 190800 CPU: 569.889, 0.00297668/step Wall: 569.889, 0.00297668/step, 3.97652 hours remaining, 206.625000 MB of memory in use. ENERGY: 190800 723.8125 2150.5516 1921.0766 109.0572 -206506.1801 17925.4753 0.0000 0.0000 34092.6250 -149583.5820 297.7394 -183676.2070 -149491.3468 299.3769 75.5327 108.7649 556901.7085 7.0312 7.2127 PRESSURE: 191000 -65.1663 49.5783 50.8419 49.5786 88.6135 -99.819 50.8419 -99.8196 -4.67931 GPRESSURE: 191000 -44.3395 34.5133 49.9089 107.514 97.65 -143.738 23.341 -82.4676 47.6783 PRESSAVG: 191000 -8.9726 1.76099 -29.0321 1.76097 66.0983 13.0574 -29.0321 13.0574 8.35032 GPRESSAVG: 191000 -10.1838 0.393021 -29.5281 1.9403 65.9935 12.0864 -30.7955 13.1856 9.22808 TIMING: 191000 CPU: 570.483, 0.00296899/step Wall: 570.483, 0.00296899/step, 3.96607 hours remaining, 206.625000 MB of memory in use. ENERGY: 191000 737.4530 2107.0178 1934.5211 125.4454 -206484.0011 17742.4011 0.0000 0.0000 34098.0934 -149739.0693 297.7871 -183837.1627 -149636.3214 298.1719 6.2560 33.6630 555765.5480 21.8253 21.6792 PRESSURE: 191200 -95.9839 93.8829 -94.9064 93.8838 -204.282 179.128 -94.9062 179.129 -3.88382 GPRESSURE: 191200 -34.7398 120.565 -34.6802 39.7079 -196.398 227.032 -77.8048 205.847 19.4308 PRESSAVG: 191200 -78.2044 43.6118 2.94368 43.6119 54.3539 28.5979 2.9437 28.5979 60.7178 GPRESSAVG: 191200 -78.0835 44.3037 2.13268 42.2975 54.2472 29.3266 5.68853 29.172 60.5578 TIMING: 191200 CPU: 571.073, 0.00295001/step Wall: 571.073, 0.00295001/step, 3.94056 hours remaining, 206.625000 MB of memory in use. ENERGY: 191200 749.5655 2105.3972 1952.9882 117.9117 -206508.4747 17798.3808 0.0000 0.0000 34228.1459 -149556.0855 298.9229 -183784.2314 -149459.9769 298.3164 -101.3833 -70.5689 556408.4377 12.2891 12.2405 PRESSURE: 191400 26.1238 24.02 65.6238 24.0209 78.2897 90.5971 65.6232 90.5984 72.8008 GPRESSURE: 191400 31.7071 -10.78 132.245 -62.0957 123.028 48.0961 42.1198 89.0576 111.157 PRESSAVG: 191400 -6.52769 -54.3947 57.5545 -54.3948 -60.649 60.9267 57.5545 60.9266 40.4976 GPRESSAVG: 191400 -7.47269 -55.2504 58.7801 -53.7375 -60.467 59.7012 57.4518 60.1633 41.248 TIMING: 191400 CPU: 571.67, 0.00298514/step Wall: 571.67, 0.00298514/step, 3.98732 hours remaining, 206.625000 MB of memory in use. ENERGY: 191400 727.3650 2063.7538 1955.5809 113.7634 -206362.0622 17909.6941 0.0000 0.0000 34035.5817 -149556.3232 297.2412 -183591.9049 -149460.7067 298.9912 59.0714 88.6308 555337.5759 -8.8930 -8.8972 PRESSURE: 191600 84.0656 -0.412385 -63.2901 -0.411875 -37.9092 32.3721 -63.2904 32.3722 -57.7947 GPRESSURE: 191600 107.496 -36.7159 -117.087 -67.4951 9.30842 2.21516 -63.6117 43.5932 -40.3244 PRESSAVG: 191600 -10.126 -16.179 -4.01759 -16.1789 -46.5761 19.4462 -4.01763 19.4462 71.0144 GPRESSAVG: 191600 -9.57126 -17.4886 -4.56855 -15.4763 -46.1878 22.1765 -3.92656 19.0209 70.2781 TIMING: 191600 CPU: 572.275, 0.00302322/step Wall: 572.275, 0.00302322/step, 4.03801 hours remaining, 206.625000 MB of memory in use. ENERGY: 191600 746.7534 2062.1288 1920.8349 106.7367 -206277.2378 17658.9080 0.0000 0.0000 34205.0618 -149576.8141 298.7213 -183781.8760 -149479.7215 298.8108 -3.8794 25.4935 555608.8937 4.7708 4.8397 PRESSURE: 191800 318.874 39.5875 -151.322 39.5887 46.1242 69.8125 -151.322 69.8111 -45.8691 GPRESSURE: 191800 344.317 178.872 -163.842 27.1128 100.788 164.092 -129.298 -21.1351 -33.7482 PRESSAVG: 191800 -15.4949 21.6148 -50.5773 21.6149 -49.6594 55.6563 -50.5772 55.6564 -35.0905 GPRESSAVG: 191800 -15.072 24.3346 -49.7037 20.1093 -49.746 55.5183 -50.3201 53.8855 -35.1916 TIMING: 191800 CPU: 572.875, 0.00299917/step Wall: 572.875, 0.00299917/step, 4.00572 hours remaining, 206.625000 MB of memory in use. ENERGY: 191800 747.2647 2120.8920 1966.1398 108.9030 -206425.5010 17903.3335 0.0000 0.0000 34015.0766 -149563.8914 297.0621 -183578.9680 -149475.7249 298.5678 106.3763 137.1190 554702.0988 -33.4149 -33.3365 PRESSURE: 192000 -64.4067 -150.652 -15.3424 -150.651 -264.743 37.2694 -15.3409 37.2675 -1.47277 GPRESSURE: 192000 -74.5177 -171.328 -38.7166 -94.181 -205.546 -28.1255 -56.6799 15.4008 50.8752 PRESSAVG: 192000 8.83162 9.43068 -22.07 9.43061 8.00807 20.8737 -22.07 20.8737 3.03285 GPRESSAVG: 192000 8.62239 8.56597 -24.1833 9.45469 8.28 19.3409 -21.9457 24.3379 3.73104 TIMING: 192000 CPU: 573.474, 0.00299895/step Wall: 573.474, 0.00299895/step, 4.00527 hours remaining, 206.625000 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: 192000 721.5891 2053.8887 1965.6269 120.9037 -206554.1034 17766.0127 0.0000 0.0000 34245.1694 -149680.9129 299.0716 -183926.0824 -149589.4644 298.2903 -110.2073 -76.3961 555918.8465 6.6242 6.8778 PRESSURE: 192200 31.5514 -70.704 130.163 -70.7037 -236.859 -63.4549 130.162 -63.4534 228.071 GPRESSURE: 192200 104.839 -66.8415 232.949 -107.164 -232.186 -148.99 111.91 -91.9759 263.853 PRESSAVG: 192200 48.6408 -21.2843 3.62156 -21.2842 -16.4541 19.4551 3.62154 19.4551 20.0535 GPRESSAVG: 192200 49.2462 -22.0916 3.63862 -20.3519 -17.1244 19.9452 4.10335 17.8238 20.4486 TIMING: 192200 CPU: 574.072, 0.00298798/step Wall: 574.072, 0.00298798/step, 3.99045 hours remaining, 206.625000 MB of memory in use. ENERGY: 192200 763.6163 2084.4938 1932.9472 105.1551 -206302.9662 17727.4578 0.0000 0.0000 33962.0441 -149727.2518 296.5990 -183689.2959 -149641.3817 298.8403 7.5878 45.5021 555536.0413 17.4134 17.5235 LDB: ============= START OF LOAD BALANCING ============== 577.586 LDB: ============== END OF LOAD BALANCING =============== 577.586 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 577.588 LDB: ============= START OF LOAD BALANCING ============== 577.888 LDB: Largest compute 4773 load 0.031009 is 26.3% of average load 0.117848 LDB: Average compute 0.001730 is 1.5% of average load 0.117848 LDB: TIME 577.891 LOAD: AVG 0.117848 MAX 0.210255 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.715 MB LDB: TIME 577.891 LOAD: AVG 0.117848 MAX 0.210255 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.715 MB LDB: TIME 577.891 LOAD: AVG 0.117848 MAX 0.210255 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 577.893 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 577.897 PRESSURE: 192400 -29.6535 97.403 116.295 97.4034 -156.846 -81.0109 116.294 -81.0096 -113.022 GPRESSURE: 192400 -13.3729 140.683 157.21 11.3282 -182.838 -14.723 120.611 -115.034 -22.4996 PRESSAVG: 192400 63.2555 9.80363 15.7113 9.80362 5.67535 -12.1897 15.7112 -12.1897 -40.5804 GPRESSAVG: 192400 62.0104 11.7687 15.9336 9.15643 6.03777 -12.0622 14.5173 -10.9574 -40.088 TIMING: 192400 CPU: 574.681, 0.0030434/step Wall: 574.681, 0.0030434/step, 4.0643 hours remaining, 205.574219 MB of memory in use. ENERGY: 192400 736.6616 2036.6194 1950.4493 102.9243 -206332.8909 17802.8642 0.0000 0.0000 34174.5091 -149528.8629 298.4545 -183703.3720 -149434.3031 298.0520 -99.8406 -72.9033 557653.2171 9.4501 9.3201 PRESSURE: 192600 203.941 -70.5467 70.3225 -70.5448 137.332 26.3441 70.3218 26.3441 -141.692 GPRESSURE: 192600 213.103 -143.834 57.433 -43.5302 193.978 -33.2036 109.927 105.251 -101.603 PRESSAVG: 192600 113.061 31.5248 -26.2953 31.5249 -30.8968 -3.95156 -26.2953 -3.95175 -88.7848 GPRESSAVG: 192600 114.217 30.3623 -25.613 31.8867 -31.4329 -3.67537 -26.3809 -3.65608 -89.3507 TIMING: 192600 CPU: 575.274, 0.0029674/step Wall: 575.274, 0.0029674/step, 3.96263 hours remaining, 205.718750 MB of memory in use. ENERGY: 192600 705.1922 2077.2745 1960.4200 113.5958 -206568.3322 17953.9474 0.0000 0.0000 34184.2907 -149573.6116 298.5399 -183757.9023 -149481.3331 298.4301 66.5266 101.8261 557593.2690 -2.2067 -2.1890 PRESSURE: 192800 196.176 23.5657 92.6091 23.5655 -227.767 62.9489 92.6094 62.9499 22.9703 GPRESSURE: 192800 195.56 135.709 -40.0458 -20.1298 -170.659 97.6129 98.9259 -13.3384 66.1801 PRESSAVG: 192800 115.184 16.9049 0.364136 16.9051 -89.7126 57.611 0.364049 57.6109 -22.5939 GPRESSAVG: 192800 115.263 16.0559 -0.949479 15.9459 -89.2879 56.0579 1.04112 56.5663 -23.323 TIMING: 192800 CPU: 575.866, 0.00296099/step Wall: 575.866, 0.00296099/step, 3.9539 hours remaining, 205.718750 MB of memory in use. ENERGY: 192800 753.5618 2076.8568 1913.5717 119.9147 -206453.3324 17975.4338 0.0000 0.0000 34048.2774 -149565.7161 297.3521 -183613.9935 -149472.3329 298.7243 -2.8736 30.3604 557188.2930 0.9592 0.8839 PRESSURE: 193000 238.461 104.419 54.4037 104.42 85.8469 33.0401 54.4039 33.0403 77.0901 GPRESSURE: 193000 284.57 19.1996 38.8789 111.909 146.019 -10.7038 82.5037 24.7393 76.42 PRESSAVG: 193000 28.2475 50.1516 34.3537 50.1515 -21.2303 42.8693 34.3536 42.8693 10.1273 GPRESSAVG: 193000 27.6217 50.5494 33.9007 51.1791 -20.5504 43.2916 34.791 41.5776 9.75786 TIMING: 193000 CPU: 576.46, 0.00297053/step Wall: 576.46, 0.00297053/step, 3.96648 hours remaining, 205.718750 MB of memory in use. ENERGY: 193000 731.0182 2019.8562 1962.4117 106.0853 -206923.9281 18201.1475 0.0000 0.0000 34127.3492 -149776.0601 298.0426 -183903.4093 -149680.5979 297.8183 133.7994 169.0029 556668.5795 5.7148 5.6097 PRESSURE: 193200 205.914 20.5057 84.9792 20.5051 -24.1975 -104.622 84.9791 -104.621 64.5609 GPRESSURE: 193200 203.702 61.2116 35.2311 9.17274 47.2131 -27.0345 115.243 -120.309 98.1611 PRESSAVG: 193200 11.4502 52.3777 -28.6449 52.3778 15.6319 -9.3397 -28.6448 -9.33969 -2.84495 GPRESSAVG: 193200 11.2745 53.5605 -26.9396 49.8177 15.3216 -8.55936 -29.1857 -9.49351 -2.69761 TIMING: 193200 CPU: 577.059, 0.0029937/step Wall: 577.059, 0.0029937/step, 3.99726 hours remaining, 205.718750 MB of memory in use. ENERGY: 193200 738.7900 2057.8562 1925.7779 93.4017 -206957.0916 18132.5166 0.0000 0.0000 34180.0333 -149828.7159 298.5027 -184008.7492 -149732.7841 297.0807 82.0924 116.3586 556624.1593 8.0791 7.9662 PRESSURE: 193400 -173.414 -87.1849 -116.019 -87.185 -304.812 202.724 -116.02 202.724 -374.88 GPRESSURE: 193400 -116.116 -94.3687 -175.773 -30.2707 -280.307 146.282 39.1282 232.577 -348.716 PRESSAVG: 193400 33.5133 19.8771 -12.2036 19.8772 7.39003 8.64092 -12.2036 8.64108 -2.26729 GPRESSAVG: 193400 33.6415 18.9148 -12.8716 21.9509 7.23212 8.28144 -11.8101 8.6538 -1.72587 TIMING: 193400 CPU: 577.658, 0.00299581/step Wall: 577.658, 0.00299581/step, 3.9999 hours remaining, 205.757812 MB of memory in use. ENERGY: 193400 705.8006 2049.4530 1937.9857 111.6428 -206018.6966 17488.6259 0.0000 0.0000 34024.3490 -149700.8396 297.1431 -183725.1886 -149598.5272 297.1918 -284.3687 -248.3795 558941.5609 12.8787 13.0493 PRESSURE: 193600 -214.501 62.3297 -85.6272 62.3305 139.273 -98.9372 -85.6267 -98.9374 -13.9715 GPRESSURE: 193600 -249.177 52.4437 -50.8593 169.048 184.451 -112.528 -133.627 -189.248 73.5893 PRESSAVG: 193600 8.12592 -5.82316 -49.5312 -5.82315 -41.1169 -39.241 -49.5312 -39.241 -5.74541 GPRESSAVG: 193600 8.33222 -6.73215 -49.2889 -4.67531 -41.8068 -38.3419 -48.5045 -38.3193 -5.43782 TIMING: 193600 CPU: 578.257, 0.00299586/step Wall: 578.257, 0.00299586/step, 3.99981 hours remaining, 205.757812 MB of memory in use. ENERGY: 193600 743.9733 2056.6147 1932.4877 124.8128 -206527.5494 17818.9253 0.0000 0.0000 34299.1510 -149551.5845 299.5430 -183850.7355 -149453.4963 297.7335 -29.7332 2.9543 556661.6553 -12.9121 -12.9708 PRESSURE: 193800 -109.132 -21.189 -117.525 -21.1883 -81.1441 -12.6273 -117.525 -12.6277 -299.269 GPRESSURE: 193800 -99.1082 -3.0247 -82.0304 -141.11 -54.955 37.504 -73.7699 -40.3903 -244.356 PRESSAVG: 193800 10.6368 -15.6065 23.3531 -15.6066 -49.4055 -27.6711 23.353 -27.671 12.34 GPRESSAVG: 193800 10.6982 -15.3411 23.5129 -19.0226 -49.5649 -26.8094 22.9557 -29.6548 12.531 TIMING: 193800 CPU: 578.848, 0.00295457/step Wall: 578.848, 0.00295457/step, 3.94451 hours remaining, 205.757812 MB of memory in use. ENERGY: 193800 748.1479 2116.1818 1938.9409 112.6766 -206325.3669 17633.5386 0.0000 0.0000 34274.1317 -149501.7494 299.3245 -183775.8811 -149403.2148 298.7812 -163.1818 -132.8064 557589.6549 -8.8096 -8.7786 PRESSURE: 194000 72.3091 148.946 -173.851 148.945 191.193 262.852 -173.851 262.854 -127.741 GPRESSURE: 194000 104.119 141.851 -226.871 74.8503 215.091 233.802 -21.4797 254.684 -82.7098 PRESSAVG: 194000 -6.08412 82.1297 -20.1917 82.1297 24.5545 25.6988 -20.1917 25.6988 12.723 GPRESSAVG: 194000 -5.08291 81.4673 -20.4118 85.132 24.7808 23.6302 -19.9388 28.1365 11.8416 TIMING: 194000 CPU: 579.441, 0.00296119/step Wall: 579.441, 0.00296119/step, 3.95319 hours remaining, 205.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 194000 750.9066 2084.7095 1949.8550 110.5756 -206425.3465 17898.3153 0.0000 0.0000 34303.9745 -149327.0100 299.5851 -183630.9846 -149230.5728 298.5601 45.2539 78.8336 557969.7015 10.3978 10.5132 PRESSURE: 194200 40.2232 -100.117 -49.3299 -100.115 90.8287 157.045 -49.3301 157.043 220.569 GPRESSURE: 194200 130.9 -91.5634 -23.1496 -65.1569 69.0501 163.807 -21.5977 117.148 252.503 PRESSAVG: 194200 -51.088 25.5788 4.07423 25.5788 22.4663 -7.28209 4.07425 -7.28212 19.8816 GPRESSAVG: 194200 -52.1475 27.0313 5.06018 23.3919 22.2758 -5.9877 3.00756 -9.2494 20.8125 TIMING: 194200 CPU: 580.034, 0.00296506/step Wall: 580.034, 0.00296506/step, 3.95818 hours remaining, 205.757812 MB of memory in use. ENERGY: 194200 735.2443 2126.9599 1930.1948 107.7644 -206669.5113 17958.9229 0.0000 0.0000 34405.1868 -149405.2382 300.4691 -183810.4250 -149304.4202 299.4651 117.2071 150.8178 557137.2710 -2.9134 -3.0197 PRESSURE: 194400 189.971 4.68492 5.54099 4.68649 -60.0575 -56.3839 5.54126 -56.3824 20.8524 GPRESSURE: 194400 248.499 -16.5388 50.1574 -21.0669 -24.4387 -24.5588 -129.757 -103.115 17.6517 PRESSAVG: 194400 47.0035 15.8745 -16.6615 15.8745 -63.2335 -28.9087 -16.6615 -28.9086 5.65168 GPRESSAVG: 194400 46.8542 16.2352 -16.8606 16.1861 -61.5371 -29.3847 -16.8321 -28.9207 4.44905 TIMING: 194400 CPU: 580.627, 0.00296655/step Wall: 580.627, 0.00296655/step, 3.96002 hours remaining, 205.757812 MB of memory in use. ENERGY: 194400 759.4247 2043.0101 1944.6108 110.0961 -206213.9470 17999.2251 0.0000 0.0000 34050.4684 -149307.1119 297.3712 -183357.5803 -149211.5554 298.5082 50.2552 80.5708 558078.7650 -3.5261 -3.4113 PRESSURE: 194600 14.4087 100.736 -123.288 100.735 -60.9879 -46.1588 -123.288 -46.1587 100.534 GPRESSURE: 194600 34.4175 195.476 -165.186 63.6467 -16.6006 19.2991 -154.233 44.1452 120.554 PRESSAVG: 194600 7.14925 -11.5384 -17.3731 -11.5385 -42.5846 -30.1283 -17.3731 -30.1282 -2.00649 GPRESSAVG: 194600 7.45926 -11.7344 -17.0437 -10.7735 -43.5084 -32.2558 -17.0733 -25.9309 -0.791501 TIMING: 194600 CPU: 581.226, 0.00299535/step Wall: 581.226, 0.00299535/step, 3.9983 hours remaining, 205.757812 MB of memory in use. ENERGY: 194600 741.5502 2091.1693 1940.6755 104.6293 -206035.6777 17671.2938 0.0000 0.0000 34310.0773 -149176.2822 299.6384 -183486.3596 -149083.4796 299.6230 17.9848 46.1236 557441.4911 -12.4806 -12.2802 PRESSURE: 194800 98.876 26.5775 9.57465 26.578 -17.0313 53.6169 9.57444 53.6172 -265.183 GPRESSURE: 194800 96.7666 79.6947 115.347 -37.7254 20.4691 21.9579 -43.0657 42.0644 -194.961 PRESSAVG: 194800 3.43156 24.1284 -2.03874 24.1283 -41.736 -15.6895 -2.03864 -15.6895 38.4203 GPRESSAVG: 194800 3.20295 23.3162 -3.59741 23.7393 -41.7664 -12.8002 -3.04966 -16.5637 38.4556 TIMING: 194800 CPU: 581.828, 0.0030079/step Wall: 581.828, 0.0030079/step, 4.01487 hours remaining, 205.757812 MB of memory in use. ENERGY: 194800 741.5880 2033.1508 1919.9516 115.5883 -205910.1648 17653.5103 0.0000 0.0000 34133.8086 -149312.5671 298.0990 -183446.3757 -149215.6614 299.5379 -61.1128 -25.9084 558125.6341 0.0386 -0.0359 PRESSURE: 195000 -64.7831 365.676 18.0444 365.677 44.1247 15.5689 18.046 15.5683 -242.135 GPRESSURE: 195000 4.43075 266.47 31.2568 337.274 69.2171 87.9228 68.1638 -104.298 -238.237 PRESSAVG: 195000 -2.73243 82.884 -36.3423 82.8839 -22.5462 5.44335 -36.3423 5.44336 -2.61741 GPRESSAVG: 195000 -2.23585 82.252 -35.774 82.795 -23.3219 5.4103 -33.7402 3.65484 -1.63614 TIMING: 195000 CPU: 582.426, 0.00299212/step Wall: 582.426, 0.00299212/step, 3.99364 hours remaining, 205.757812 MB of memory in use. ENERGY: 195000 758.8921 2078.1560 1963.3483 104.7145 -206238.4795 17734.2314 0.0000 0.0000 34347.7470 -149251.3902 299.9674 -183599.1372 -149154.6260 299.0262 -87.5979 -54.8630 556986.6920 -9.2987 -9.0646 PRESSURE: 195200 -274.237 -31.0155 -40.0479 -31.0156 -97.9624 73.4504 -40.0488 73.45 103.826 GPRESSURE: 195200 -160.363 34.6065 20.0618 -42.3558 -127.666 63.6872 -42.6842 117.373 124.018 PRESSAVG: 195200 12.5097 94.7675 -18.3511 94.7675 8.34299 -30.2726 -18.3512 -30.2726 -17.1092 GPRESSAVG: 195200 12.1569 98.1668 -19.2244 92.9879 9.99412 -30.2777 -20.2619 -31.2373 -18.0654 TIMING: 195200 CPU: 583.024, 0.00299186/step Wall: 583.024, 0.00299186/step, 3.99313 hours remaining, 205.824219 MB of memory in use. ENERGY: 195200 737.7292 2099.4747 1950.8550 115.5180 -206128.7976 17852.7490 0.0000 0.0000 34199.5840 -149172.8876 298.6735 -183372.4716 -149081.6324 299.0596 -89.4576 -54.6703 557950.0039 1.2478 1.3619 PRESSURE: 195400 76.4672 -175.903 31.5353 -175.903 59.2882 -17.0154 31.5366 -17.014 -146.628 GPRESSURE: 195400 71.5551 -144.987 34.6317 -196.949 82.4108 -31.217 43.9965 18.3258 -64.3689 PRESSAVG: 195400 -14.4885 28.1373 -1.92225 28.1372 -32.5141 6.76945 -1.9221 6.76952 42.1991 GPRESSAVG: 195400 -15.0199 23.9154 -0.39164 29.6244 -32.7423 4.97239 -2.30871 9.85853 43.0338 TIMING: 195400 CPU: 583.63, 0.00302645/step Wall: 583.63, 0.00302645/step, 4.03913 hours remaining, 205.824219 MB of memory in use. ENERGY: 195400 733.6292 2038.3675 1966.0993 124.4342 -206268.9138 17883.4129 0.0000 0.0000 34419.3212 -149103.6494 300.5925 -183522.9707 -149006.9929 299.4117 -3.6243 29.8657 558024.0532 -1.6011 -1.5761 PRESSURE: 195600 -259.783 -148.106 -13.3051 -148.107 -243.118 53.4997 -13.3053 53.5009 -132.585 GPRESSURE: 195600 -208.515 -108.623 -70.6123 -189.823 -234.386 80.4454 -57.3979 25.7899 -96.4606 PRESSAVG: 195600 25.9688 -40.166 -20.7344 -40.166 -56.6879 -4.43546 -20.7344 -4.43539 25.9532 GPRESSAVG: 195600 25.493 -36.7689 -22.7173 -40.5282 -55.9907 -2.08149 -17.8422 -7.92482 25.0025 TIMING: 195600 CPU: 584.235, 0.00302764/step Wall: 584.235, 0.00302764/step, 4.04055 hours remaining, 205.824219 MB of memory in use. ENERGY: 195600 759.5277 2084.1377 1932.2023 112.2119 -205935.4269 17446.1612 0.0000 0.0000 34535.1366 -149066.0495 301.6039 -183601.1861 -148977.2238 300.1037 -211.8287 -179.7874 556920.7643 -1.5887 -1.8317 PRESSURE: 195800 36.6583 33.4167 -125.194 33.4174 179.209 -30.6494 -125.195 -30.6498 267.334 GPRESSURE: 195800 36.205 -43.7751 -103.924 49.4274 289.058 -3.20009 -134.222 4.61295 250.644 PRESSAVG: 195800 -26.602 -26.0966 22.742 -26.0966 51.7126 14.5433 22.7421 14.5435 -1.61532 GPRESSAVG: 195800 -27.0856 -24.8107 24.0171 -26.1007 51.1583 12.192 19.8422 18.3 -0.611111 TIMING: 195800 CPU: 584.834, 0.00299538/step Wall: 584.834, 0.00299538/step, 3.99734 hours remaining, 205.824219 MB of memory in use. ENERGY: 195800 706.8110 2123.6918 1933.6912 122.8030 -206523.1418 18158.1608 0.0000 0.0000 34262.5950 -149215.3889 299.2238 -183477.9840 -149116.7700 299.5965 161.0671 191.9692 556654.7499 7.8318 7.8205 PRESSURE: 196000 245.172 137.333 -25.4573 137.335 61.274 -207.505 -25.4558 -207.504 22.5492 GPRESSURE: 196000 287.423 101.938 -39.4993 238.519 102.516 -149.682 -84.0481 -149.828 27.4888 PRESSAVG: 196000 -30.5281 -11.0645 61.1858 -11.0644 27.1017 19.4956 61.1858 19.4957 13.4615 GPRESSAVG: 196000 -29.1348 -13.7144 60.9036 -9.40868 27.293 21.1165 60.7978 16.4277 12.2897 TIMING: 196000 CPU: 585.431, 0.00298152/step Wall: 585.431, 0.00298152/step, 3.97867 hours remaining, 205.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 196000 724.1883 2119.9352 1946.2410 118.0618 -206205.2338 17890.7397 0.0000 0.0000 34278.6881 -149127.3797 299.3643 -183406.0678 -149033.5375 299.1300 109.6650 139.1429 557769.0477 3.3450 3.4826 PRESSURE: 196200 -27.0915 56.4479 -44.4284 56.4482 152.438 -152.434 -44.428 -152.434 112.962 GPRESSURE: 196200 74.8773 21.096 -36.0274 45.2826 143.984 -125.027 -57.7081 -106.673 118.762 PRESSAVG: 196200 -2.27629 45.608 9.07417 45.608 -22.5608 -5.66511 9.07415 -5.66511 19.0409 GPRESSAVG: 196200 -1.47088 45.3105 11.0146 44.5884 -24.5313 -7.07738 8.94401 -3.96641 19.8908 TIMING: 196200 CPU: 586.028, 0.00298898/step Wall: 586.028, 0.00298898/step, 3.98846 hours remaining, 205.824219 MB of memory in use. ENERGY: 196200 741.6118 2095.5413 1927.9315 121.1736 -206085.5739 17810.7526 0.0000 0.0000 34187.3119 -149201.2512 298.5663 -183388.5631 -149102.0166 299.3958 79.4362 112.5409 558373.8189 -1.9321 -2.0371 LDB: ============= START OF LOAD BALANCING ============== 589.545 LDB: ============== END OF LOAD BALANCING =============== 589.546 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 589.547 LDB: ============= START OF LOAD BALANCING ============== 589.848 LDB: Largest compute 4773 load 0.031965 is 27.1% of average load 0.117830 LDB: Average compute 0.001743 is 1.5% of average load 0.117830 LDB: TIME 589.85 LOAD: AVG 0.11783 MAX 0.208937 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.496 MB LDB: TIME 589.851 LOAD: AVG 0.11783 MAX 0.208937 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.496 MB LDB: TIME 589.851 LOAD: AVG 0.11783 MAX 0.208937 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.496 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 589.852 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 589.856 PRESSURE: 196400 17.9168 97.2815 -51.8557 97.2813 -122.147 -13.8916 -51.8552 -13.8906 7.03613 GPRESSURE: 196400 2.09217 94.312 4.23003 114.709 -27.3335 40.5214 -66.7467 -47.2525 21.5061 PRESSAVG: 196400 33.2688 37.2655 -34.4003 37.2654 15.7699 -15.6203 -34.4003 -15.6204 -20.5682 GPRESSAVG: 196400 31.7694 38.892 -35.9286 37.187 17.9172 -15.3374 -33.0299 -13.6363 -21.0694 TIMING: 196400 CPU: 586.64, 0.00305799/step Wall: 586.64, 0.00305799/step, 4.08038 hours remaining, 206.484375 MB of memory in use. ENERGY: 196400 758.4870 2084.1557 1939.3433 112.4929 -205912.8391 17640.6693 0.0000 0.0000 34270.4915 -149107.1994 299.2927 -183377.6909 -149008.8659 299.1227 -32.3981 -1.2451 557044.7661 9.4902 9.5391 PRESSURE: 196600 90.382 60.4499 -50.4957 60.4478 -133.747 -127.104 -50.4959 -127.104 175.994 GPRESSURE: 196600 131.64 -22.852 -67.4743 71.9776 -65.6345 -52.9376 9.8417 -163.479 174.932 PRESSAVG: 196600 -41.9095 23.4236 -10.8263 23.4235 -2.89152 -31.8958 -10.8264 -31.8958 66.1728 GPRESSAVG: 196600 -41.6295 25.2756 -10.5704 22.5621 -3.3242 -31.2942 -10.5757 -33.4588 66.9032 TIMING: 196600 CPU: 587.237, 0.00298358/step Wall: 587.237, 0.00298358/step, 3.98092 hours remaining, 206.554688 MB of memory in use. ENERGY: 196600 707.5488 2123.6827 1965.8654 111.3667 -205919.0588 17800.6323 0.0000 0.0000 34180.0234 -149029.9395 298.5026 -183209.9629 -148936.0210 299.2644 44.2098 80.3128 558366.1806 7.1239 7.3165 PRESSURE: 196800 -8.12073 106.461 -38.4094 106.461 -119.085 31.3724 -38.4102 31.3715 267.302 GPRESSURE: 196800 -56.0504 78.0012 -12.4483 93.4558 18.6969 12.7105 -16.7814 64.4464 272.059 PRESSAVG: 196800 -32.8467 -5.59351 18.9017 -5.59357 -52.1379 22.7939 18.9017 22.794 36.6077 GPRESSAVG: 196800 -32.3276 -6.50501 18.3292 -6.75412 -50.645 21.4757 18.0339 23.1727 34.6465 TIMING: 196800 CPU: 587.84, 0.00301543/step Wall: 587.84, 0.00301543/step, 4.02325 hours remaining, 206.554688 MB of memory in use. ENERGY: 196800 765.0456 2075.6325 1946.4271 109.4356 -206552.5826 18038.6606 0.0000 0.0000 34524.1978 -149093.1834 301.5084 -183617.3812 -148995.2139 299.3242 46.6987 78.2351 557548.2011 -16.1257 -16.1087 PRESSURE: 197000 -211.329 -10.6689 56.3752 -10.6681 -124.425 -115.589 56.3759 -115.589 76.9575 GPRESSURE: 197000 -165.396 -18.7688 52.0145 13.9085 -79.0413 -131.402 96.2606 -47.3765 80.6281 PRESSAVG: 197000 -36.1396 -28.8792 -17.6298 -28.8792 -34.1281 -25.5661 -17.6299 -25.5661 69.0991 GPRESSAVG: 197000 -36.0738 -30.1445 -12.789 -27.1301 -35.7257 -22.836 -19.9567 -26.5883 71.0278 TIMING: 197000 CPU: 588.437, 0.00298654/step Wall: 588.437, 0.00298654/step, 3.98454 hours remaining, 206.554688 MB of memory in use. ENERGY: 197000 745.8709 2112.5911 1922.6833 105.6178 -206099.8670 17698.6611 0.0000 0.0000 34177.0482 -149337.3945 298.4767 -183514.4428 -149239.7612 298.7961 -86.2654 -54.6029 558192.5421 -0.3895 -0.2572 PRESSURE: 197200 -90.8403 63.5055 14.9921 63.5055 105.701 -44.7117 14.9926 -44.7114 147.786 GPRESSURE: 197200 -13.5813 110.707 -32.2197 17.6818 84.2778 -53.0911 19.3617 -40.5502 178.686 PRESSAVG: 197200 -15.8558 47.7701 -39.1816 47.7701 -53.556 8.33976 -39.1816 8.33961 49.2444 GPRESSAVG: 197200 -15.7773 46.3863 -44.2089 50.15 -52.6383 7.43031 -37.5976 7.46081 49.1012 TIMING: 197200 CPU: 589.03, 0.00296431/step Wall: 589.03, 0.00296431/step, 3.95471 hours remaining, 206.554688 MB of memory in use. ENERGY: 197200 772.3604 2092.4424 1949.5576 114.8137 -206317.1653 18076.0921 0.0000 0.0000 33921.5612 -149390.3379 296.2454 -183311.8991 -149292.5297 299.1683 54.2155 83.1273 558931.4231 -6.7224 -6.4381 PRESSURE: 197400 124.757 108.472 -3.34935 108.472 85.9953 -170.601 -3.34988 -170.601 -165.061 GPRESSURE: 197400 191.875 100.496 11.3519 144.575 70.4218 -229.273 -9.98673 -91.5449 -120.626 PRESSAVG: 197400 -19.4138 51.3585 -27.7462 51.3584 68.9458 -11.1252 -27.7462 -11.1253 -52.9366 GPRESSAVG: 197400 -19.5111 53.1547 -27.5318 50.4848 68.3678 -12.9153 -27.9528 -10.004 -52.5858 TIMING: 197400 CPU: 589.625, 0.00297478/step Wall: 589.625, 0.00297478/step, 3.96852 hours remaining, 206.554688 MB of memory in use. ENERGY: 197400 701.7520 2020.7514 1963.7737 103.5301 -206414.6118 17951.0230 0.0000 0.0000 34250.9356 -149422.8460 299.1219 -183673.7816 -149324.4999 297.9078 15.2305 47.2235 557399.7180 -1.1349 -1.2430 PRESSURE: 197600 23.6168 129.295 115.058 129.296 277.403 127.696 115.058 127.696 -297.019 GPRESSURE: 197600 50.0074 127.374 147.208 95.1972 281.081 148.159 108.709 102.206 -232.009 PRESSAVG: 197600 -12.4923 8.1007 25.6945 8.10071 48.482 5.56509 25.6945 5.56502 -40.6221 GPRESSAVG: 197600 -13.5187 8.2137 26.4279 5.90678 49.9909 8.65907 24.4084 5.23098 -40.9628 TIMING: 197600 CPU: 590.213, 0.00294188/step Wall: 590.213, 0.00294188/step, 3.92446 hours remaining, 206.554688 MB of memory in use. ENERGY: 197600 723.2973 2093.1617 1921.1468 96.9895 -206261.5515 17908.6611 0.0000 0.0000 34062.2436 -149456.0515 297.4740 -183518.2951 -149361.8327 298.4181 1.3337 33.0264 558022.6772 -1.5441 -1.4969 PRESSURE: 197800 -1.28778 -203.802 48.6565 -203.804 45.7149 -27.9136 48.6557 -27.9144 117.659 GPRESSURE: 197800 37.3053 -188.967 49.4004 -192.775 31.7335 -62.2079 56.344 49.1975 186.029 PRESSAVG: 197800 16.5269 -12.3607 47.9791 -12.3607 -5.32572 22.5107 47.9791 22.5108 4.54922 GPRESSAVG: 197800 17.1388 -11.502 49.3127 -13.3924 -5.54762 23.1485 48.1279 22.963 3.92126 TIMING: 197800 CPU: 590.81, 0.00298354/step Wall: 590.81, 0.00298354/step, 3.97987 hours remaining, 206.554688 MB of memory in use. ENERGY: 197800 736.9579 2029.6136 1942.5881 113.4924 -206664.8400 17986.3970 0.0000 0.0000 34299.9290 -149555.8621 299.5498 -183855.7911 -149460.1975 298.5745 54.0286 85.0227 556313.0642 5.2501 5.1708 PRESSURE: 198000 -134.887 -18.1548 29.8072 -18.1546 -26.1774 69.9136 29.8093 69.911 38.1357 GPRESSURE: 198000 -92.0872 12.4697 44.6253 5.76451 -23.3844 -52.958 24.3279 43.7836 97.2962 PRESSAVG: 198000 -63.4057 26.6547 -55.0481 26.6547 53.0188 44.6745 -55.0482 44.6743 18.165 GPRESSAVG: 198000 -63.218 25.465 -57.8616 29.8115 52.1827 43.2313 -53.111 42.4252 18.826 TIMING: 198000 CPU: 591.404, 0.00297171/step Wall: 591.404, 0.00297171/step, 3.96394 hours remaining, 206.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 198000 731.0637 2016.1563 1940.0650 113.2471 -206464.0422 17827.1312 0.0000 0.0000 34134.2567 -149702.1222 298.1030 -183836.3789 -149601.9695 298.3796 -40.9763 -6.0585 557348.9401 2.5927 2.5969 PRESSURE: 198200 62.7365 141.369 -73.0127 141.368 23.1927 42.6262 -73.0111 42.6273 -120.769 GPRESSURE: 198200 126.338 209.16 10.2778 143.697 12.905 5.11111 -109.851 50.4141 -69.2629 PRESSAVG: 198200 55.8366 -2.66477 -27.2743 -2.66474 -43.5966 -7.68234 -27.2743 -7.68236 -15.6653 GPRESSAVG: 198200 56.1532 -2.00733 -24.4088 -2.66409 -43.692 -8.78958 -29.2431 -5.72302 -16.1935 TIMING: 198200 CPU: 592.005, 0.00300544/step Wall: 592.005, 0.00300544/step, 4.00876 hours remaining, 206.554688 MB of memory in use. ENERGY: 198200 712.0379 2068.4543 1955.8309 108.2477 -206560.0470 17987.8347 0.0000 0.0000 34034.5566 -149693.0849 297.2322 -183727.6415 -149593.9338 298.3968 -11.6132 23.3268 557553.7935 -1.1418 -1.2441 PRESSURE: 198400 -53.791 73.5346 -46.953 73.5348 53.6389 -35.4712 -46.9535 -35.4711 28.7689 GPRESSURE: 198400 9.11137 72.0106 10.2828 111.058 83.1417 -22.9585 -45.3303 62.5995 28.1761 PRESSAVG: 198400 8.03008 3.46963 -63.0594 3.4696 28.5408 -15.1715 -63.0595 -15.1714 -2.18354 GPRESSAVG: 198400 7.35899 3.7238 -64.8728 3.37316 28.6834 -14.1696 -61.7781 -14.3047 -2.34085 TIMING: 198400 CPU: 592.601, 0.00297943/step Wall: 592.601, 0.00297943/step, 3.9739 hours remaining, 206.554688 MB of memory in use. ENERGY: 198400 718.0673 2075.8692 1939.7992 110.2892 -206479.0484 17970.3792 0.0000 0.0000 34236.5750 -149428.0692 298.9965 -183664.6442 -149332.5122 298.6322 9.5390 40.1431 557536.6216 11.4624 11.2339 PRESSURE: 198600 208.253 81.6544 -87.6035 81.6544 -36.9075 -133.298 -87.6038 -133.3 -25.0326 GPRESSURE: 198600 198.455 45.9454 -74.5131 -40.1594 8.94714 -176.962 -101.53 -188.988 41.4612 PRESSAVG: 198600 44.2677 20.8495 -20.7869 20.8496 -79.5282 20.2071 -20.7868 20.2072 24.9518 GPRESSAVG: 198600 44.2564 20.3235 -20.4427 19.9999 -79.9604 19.8683 -21.0197 20.0241 25.463 TIMING: 198600 CPU: 593.194, 0.0029657/step Wall: 593.194, 0.0029657/step, 3.95542 hours remaining, 206.554688 MB of memory in use. ENERGY: 198600 738.3359 2074.8479 1931.1140 106.5353 -206332.0886 17797.6973 0.0000 0.0000 34436.5094 -149247.0487 300.7426 -183683.5581 -149148.4675 298.9466 48.7711 82.9543 557277.7869 -3.4362 -3.4137 PRESSURE: 198800 -112.265 129.449 -13.9405 129.448 -526.037 -94.6047 -13.9393 -94.6037 -89.9188 GPRESSURE: 198800 -49.5751 153.654 33.6843 180.15 -554.658 -81.1201 -49.6551 -102.33 -22.4445 PRESSAVG: 198800 76.161 12.3193 -2.28762 12.3194 -105.554 20.2067 -2.28761 20.2067 55.2213 GPRESSAVG: 198800 76.0883 10.4715 -0.479755 14.6072 -105.15 22.4141 -4.35679 19.8313 54.9706 TIMING: 198800 CPU: 593.798, 0.00301915/step Wall: 593.798, 0.00301915/step, 4.02654 hours remaining, 206.554688 MB of memory in use. ENERGY: 198800 799.3248 2046.6883 1940.4658 114.4331 -205939.4022 17499.7036 0.0000 0.0000 34421.1101 -149117.6766 300.6081 -183538.7867 -149015.4528 300.0940 -242.7403 -208.8925 557079.4223 8.6095 8.6364 PRESSURE: 199000 184.418 90.4772 -33.8591 90.4762 -165.017 -20.8554 -33.8595 -20.8558 -92.1459 GPRESSURE: 199000 216.885 17.5995 -114.856 82.0797 -137.671 -72.1127 33.438 -13.4693 -60.1447 PRESSAVG: 199000 5.20207 0.568099 -13.2674 0.568197 -73.5306 -36.6056 -13.2674 -36.6054 42.6486 GPRESSAVG: 199000 5.72116 1.27897 -14.5566 -2.29143 -73.8059 -37.8753 -12.3853 -37.4876 42.1845 TIMING: 199000 CPU: 594.395, 0.00298137/step Wall: 594.395, 0.00298137/step, 3.97598 hours remaining, 206.554688 MB of memory in use. ENERGY: 199000 772.0324 2119.2855 1933.5147 112.2179 -206216.6911 17955.8867 0.0000 0.0000 34260.8343 -149062.9196 299.2084 -183323.7539 -148969.1505 299.9798 -24.2482 6.3564 557230.9063 -8.5599 -8.6334 PRESSURE: 199200 -66.2917 -119.576 278.795 -119.575 -188.618 -134.207 278.795 -134.207 41.8105 GPRESSURE: 199200 -33.2966 -131.07 360.339 -83.263 -98.2444 -164.514 239.448 -182.117 5.85814 PRESSAVG: 199200 74.8229 -60.0623 21.2447 -60.0623 -126.617 -38.9898 21.2446 -38.9899 29.4332 GPRESSAVG: 199200 74.0144 -58.244 20.9882 -58.3565 -125.115 -40.3237 21.7236 -37.3533 28.4098 TIMING: 199200 CPU: 594.99, 0.00297886/step Wall: 594.99, 0.00297886/step, 3.97247 hours remaining, 206.554688 MB of memory in use. ENERGY: 199200 761.7531 2070.0593 1933.2986 125.3395 -205790.9260 17535.8622 0.0000 0.0000 34214.5244 -149150.0888 298.8040 -183364.6132 -149048.2201 299.4276 -71.0332 -41.8943 558659.5109 -7.4537 -7.5638 PRESSURE: 199400 -1.4448 62.3954 -31.8158 62.3939 40.7278 -39.788 -31.8156 -39.7862 234.65 GPRESSURE: 199400 20.3121 12.8649 -12.7042 47.9548 56.2764 -34.5816 -96.3109 -52.2481 296.587 PRESSAVG: 199400 -2.13883 -20.0069 38.6571 -20.0069 -52.2165 -42.8723 38.657 -42.8722 14.1416 GPRESSAVG: 199400 -2.24298 -20.2498 39.0476 -20.8481 -52.4735 -41.6071 39.6152 -43.1143 14.5651 TIMING: 199400 CPU: 595.583, 0.00296304/step Wall: 595.583, 0.00296304/step, 3.95121 hours remaining, 206.554688 MB of memory in use. ENERGY: 199400 750.5844 2105.3193 1925.3616 106.0328 -206525.2056 18075.5830 0.0000 0.0000 34493.9981 -149068.3264 301.2447 -183562.3246 -148968.0388 299.3682 91.3109 124.3920 557699.2532 -13.4046 -13.3838 PRESSURE: 199600 131.747 101.938 76.4549 101.94 -78.3356 84.5731 76.4554 84.5734 150.897 GPRESSURE: 199600 104.246 62.2926 77.7514 86.247 -45.006 38.6249 116.769 73.5233 230.458 PRESSAVG: 199600 -71.1187 -10.2655 40.933 -10.2655 44.0312 27.2022 40.9329 27.2022 -27.3746 GPRESSAVG: 199600 -70.6107 -9.41396 40.5099 -9.61046 43.8196 27.8733 38.4743 25.9702 -27.5592 TIMING: 199600 CPU: 596.179, 0.00297851/step Wall: 596.179, 0.00297851/step, 3.97167 hours remaining, 206.554688 MB of memory in use. ENERGY: 199600 748.3829 2130.8864 1899.7426 116.1514 -205938.4288 17817.0366 0.0000 0.0000 34225.4151 -149000.8137 298.8991 -183226.2288 -148903.9408 300.0280 68.1030 96.5660 557775.3763 -18.1540 -18.1168 PRESSURE: 199800 -166.408 -96.9078 -80.7072 -96.9088 -229.83 22.1462 -80.7075 22.1454 246.969 GPRESSURE: 199800 -102.158 -104.225 -71.6065 -103.285 -180.26 28.7604 -40.6625 8.03411 231.192 PRESSAVG: 199800 -56.6127 -27.1027 57.6369 -27.1027 -3.41627 14.7772 57.637 14.7771 71.5865 GPRESSAVG: 199800 -56.3043 -28.1052 56.713 -27.6247 -3.80082 12.3504 59.9293 15.9703 71.5504 TIMING: 199800 CPU: 596.773, 0.00297339/step Wall: 596.773, 0.00297339/step, 3.96469 hours remaining, 206.554688 MB of memory in use. ENERGY: 199800 707.4344 2039.2043 1926.1022 111.7559 -205597.7206 17455.1661 0.0000 0.0000 34427.7911 -148930.2665 300.6665 -183358.0576 -148827.1669 300.3012 -49.7562 -17.0750 557281.7647 3.8525 3.8151 PRESSURE: 200000 -221.577 108.376 109.32 108.376 -435.647 -135.427 109.319 -135.427 -361.19 GPRESSURE: 200000 -235.721 102.618 74.7184 124.304 -419.844 -36.2636 178.556 -228.312 -255.931 PRESSAVG: 200000 -37.3512 22.1491 57.6553 22.149 -77.5938 2.84659 57.6554 2.84669 122.972 GPRESSAVG: 200000 -37.4627 21.862 58.9819 20.4359 -77.9121 3.55053 58.4374 2.78457 123.207 TIMING: 200000 CPU: 597.378, 0.00302189/step Wall: 597.378, 0.00302188/step, 4.02918 hours remaining, 206.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 200000 752.0462 2135.9751 1929.4966 104.9645 -205286.7794 17157.4372 0.0000 0.0000 34551.7007 -148655.1591 301.7486 -183206.8598 -148561.7759 300.9322 -339.4713 -303.8323 558044.2988 2.6756 2.6109 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 200000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 200000 WRITING COORDINATES TO RESTART FILE AT STEP 200000 FINISHED WRITING RESTART COORDINATES The last position output (seq=200000) takes 0.010 seconds, 206.555 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, 206.684 MB of memory in use PRESSURE: 200200 -207.991 -42.6521 127.314 -42.6524 20.1833 132.268 127.313 132.268 -19.726 GPRESSURE: 200200 -191.536 0.808727 92.5256 -100.205 35.0945 136.542 156.752 170.948 33.9302 PRESSAVG: 200200 1.33023 1.73061 80.4652 1.73069 2.17476 -4.97359 80.4653 -4.97356 -43.3424 GPRESSAVG: 200200 0.669238 2.32214 80.3959 2.27218 1.98282 -4.8925 79.2348 -6.09105 -43.1188 TIMING: 200200 CPU: 597.989, 0.00305416/step Wall: 597.989, 0.00305416/step, 4.07204 hours remaining, 206.683594 MB of memory in use. ENERGY: 200200 762.8333 2086.5247 1958.0270 116.4379 -205431.2920 17436.6986 0.0000 0.0000 34319.2433 -148751.5272 299.7185 -183070.7705 -148667.1245 301.1282 -69.1779 -40.8370 557172.8112 -13.2791 -13.4889 LDB: ============= START OF LOAD BALANCING ============== 601.506 LDB: ============== END OF LOAD BALANCING =============== 601.506 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 601.508 LDB: ============= START OF LOAD BALANCING ============== 601.813 LDB: Largest compute 4773 load 0.031904 is 27.1% of average load 0.117886 LDB: Average compute 0.001732 is 1.5% of average load 0.117886 LDB: TIME 601.816 LOAD: AVG 0.117886 MAX 0.210843 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.453 MB LDB: TIME 601.816 LOAD: AVG 0.117886 MAX 0.210843 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.656 MB LDB: TIME 601.816 LOAD: AVG 0.117886 MAX 0.210843 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.656 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 601.818 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 601.822 PRESSURE: 200400 140.638 -35.8369 57.8582 -35.8353 -60.0586 -119.133 57.8586 -119.133 30.6493 GPRESSURE: 200400 145.897 -48.4822 16.1756 6.69844 -61.0079 -92.761 50.0833 -131.728 115.722 PRESSAVG: 200400 18.8687 -4.9145 48.2945 -4.91447 -44.8909 -3.7588 48.2946 -3.75876 46.8466 GPRESSAVG: 200400 18.5691 -3.95348 48.7925 -3.88374 -45.3552 -3.45019 45.8923 -4.73861 47.8335 TIMING: 200400 CPU: 598.606, 0.00308525/step Wall: 598.606, 0.00308525/step, 4.11333 hours remaining, 206.679688 MB of memory in use. ENERGY: 200400 742.6008 2102.9801 1963.6593 112.5369 -206118.7708 17842.9402 0.0000 0.0000 34445.9504 -148908.1031 300.8251 -183354.0535 -148807.9210 300.8187 37.0763 66.8705 557945.3682 6.9415 7.0158 PRESSURE: 200600 35.1878 43.2209 67.9658 43.2206 137.998 22.3275 67.9659 22.3273 116.931 GPRESSURE: 200600 75.4982 64.0661 91.3863 44.6136 162.973 46.439 38.2395 -53.3675 143.234 PRESSAVG: 200600 -4.40219 0.541981 -6.20473 0.54204 -37.5171 -48.5021 -6.20478 -48.5021 16.9083 GPRESSAVG: 200600 -2.79088 -0.506667 -9.54338 1.02516 -37.962 -47.9106 -1.96328 -45.7288 15.6238 TIMING: 200600 CPU: 599.21, 0.00302375/step Wall: 599.21, 0.00302375/step, 4.03116 hours remaining, 206.679688 MB of memory in use. ENERGY: 200600 729.7644 2084.8046 1980.5693 120.5434 -205706.8757 17659.7124 0.0000 0.0000 34251.6416 -148879.8400 299.1281 -183131.4816 -148780.4835 300.1666 96.7056 127.2352 556773.8124 -8.3370 -8.3764 PRESSURE: 200800 -170.507 -269.745 31.533 -269.744 -173.851 -22.4068 31.5336 -22.4074 -19.9324 GPRESSURE: 200800 -168.236 -267.923 -1.68989 -284.959 -89.8395 -14.2213 -31.7705 -56.4388 6.60065 PRESSAVG: 200800 -6.10577 -25.4306 71.0005 -25.4306 -37.4838 14.499 71.0005 14.4992 32.0147 GPRESSAVG: 200800 -7.23373 -26.7477 73.9986 -27.5446 -36.2797 13.0567 69.2446 14.1628 31.8647 TIMING: 200800 CPU: 599.812, 0.00300995/step Wall: 599.812, 0.00300996/step, 4.0126 hours remaining, 206.679688 MB of memory in use. ENERGY: 200800 740.7319 2113.7982 1975.9298 121.8167 -205751.1934 17598.1842 0.0000 0.0000 34270.0786 -148930.6541 299.2891 -183200.7327 -148837.9823 299.5230 -121.4301 -83.8248 557492.1710 -3.8583 -3.8829 PRESSURE: 201000 18.4347 -9.81115 180.636 -9.81037 134.621 -77.1954 180.636 -77.1966 -84.2972 GPRESSURE: 201000 54.0588 3.28716 117.144 52.7566 200.488 -131.312 125.936 -18.2264 -81.0203 PRESSAVG: 201000 -10.3946 -40.8079 -7.74036 -40.8079 46.8383 -58.4039 -7.74033 -58.4039 -17 GPRESSAVG: 201000 -11.0912 -40.5274 -9.36368 -37.9551 46.6847 -58.1084 -7.13036 -58.6029 -16.1068 TIMING: 201000 CPU: 600.419, 0.0030358/step Wall: 600.419, 0.0030358/step, 4.04689 hours remaining, 206.679688 MB of memory in use. ENERGY: 201000 756.2537 2053.1514 1971.4526 124.5077 -205996.3379 17784.3408 0.0000 0.0000 34510.2413 -148796.3904 301.3865 -183306.6317 -148697.1175 300.4171 22.9196 57.8420 556087.8845 6.4812 6.4956 PRESSURE: 201200 155.418 -194.991 83.8926 -194.991 262.366 -163.171 83.8934 -163.169 266.085 GPRESSURE: 201200 188.366 -205.158 46.0198 -192.49 306.242 -129.268 87.5044 -153.154 275.005 PRESSAVG: 201200 -2.22691 -41.8226 62.3587 -41.8225 28.6498 -3.03978 62.3586 -3.03983 -12.3022 GPRESSAVG: 201200 -2.39547 -37.7759 61.9076 -44.437 28.9892 -3.82441 62.4353 -3.47085 -12.9429 TIMING: 201200 CPU: 601.027, 0.00303683/step Wall: 601.027, 0.00303683/step, 4.04809 hours remaining, 206.679688 MB of memory in use. ENERGY: 201200 723.6658 2057.1084 1962.9217 122.0737 -205945.3074 18024.3207 0.0000 0.0000 34281.9392 -148773.2780 299.3927 -183055.2171 -148676.7260 300.7026 227.9563 256.5377 556795.4470 4.7069 4.5503 PRESSURE: 201400 -229.408 112.315 57.8438 112.316 -3.94265 64.8943 57.8447 64.8942 -104.996 GPRESSURE: 201400 -226.62 77.6482 145.37 104.716 35.0436 63.766 4.72263 39.0565 -42.0999 PRESSAVG: 201400 -51.1467 18.8155 27.1556 18.8156 66.6741 0.489229 27.1557 0.489289 28.0542 GPRESSAVG: 201400 -49.6903 14.8917 28.1845 19.6697 65.9868 0.990281 26.2051 0.555907 27.5255 TIMING: 201400 CPU: 601.63, 0.00301768/step Wall: 601.63, 0.00301768/step, 4.0224 hours remaining, 206.679688 MB of memory in use. ENERGY: 201400 758.8922 2105.2989 1964.2079 111.8198 -205443.8560 17492.9764 0.0000 0.0000 34269.2981 -148741.3629 299.2823 -183010.6610 -148645.4842 300.4026 -112.7822 -77.8920 557315.7037 14.5272 14.6073 PRESSURE: 201600 19.3387 63.5217 -78.704 63.5206 -122.177 -20.9955 -78.7035 -20.9942 -30.4303 GPRESSURE: 201600 63.352 83.1736 -64.3203 36.401 -166.473 36.2456 -150.199 -52.0237 73.7583 PRESSAVG: 201600 -79.409 21.6106 -51.1044 21.6105 16.4848 -8.50569 -51.1044 -8.50565 14.73 GPRESSAVG: 201600 -79.6787 21.9596 -50.5502 22.5687 16.5226 -6.59562 -50.9957 -9.9435 15.0656 TIMING: 201600 CPU: 602.23, 0.00299857/step Wall: 602.23, 0.00299857/step, 3.99677 hours remaining, 206.679688 MB of memory in use. ENERGY: 201600 776.4290 2053.2683 1953.9572 108.5557 -205532.0660 17469.6803 0.0000 0.0000 34390.6588 -148779.5167 300.3422 -183170.1755 -148675.2756 300.4356 -44.4229 -9.7874 558079.3367 -16.0647 -16.0302 PRESSURE: 201800 -171.701 44.4052 46.6731 44.4041 -117.564 -12.3755 46.6734 -12.3759 -346.136 GPRESSURE: 201800 -193.486 31.9773 77.3864 69.2053 -21.6964 -56.8006 -3.10426 -68.8632 -315.065 PRESSAVG: 201800 12.7926 -7.00836 -56.9752 -7.0083 32.0689 -43.3334 -56.9752 -43.3334 -13.1962 GPRESSAVG: 201800 12.163 -7.54249 -58.578 -8.25043 33.2515 -43.1997 -56.4933 -44.2729 -13.6262 TIMING: 201800 CPU: 602.83, 0.00299867/step Wall: 602.83, 0.00299867/step, 3.99673 hours remaining, 206.679688 MB of memory in use. ENERGY: 201800 741.1215 2078.1127 1951.2527 118.0373 -205538.6742 17520.0938 0.0000 0.0000 34465.1834 -148664.8728 300.9930 -183130.0562 -148565.9171 301.2497 -211.8003 -176.7491 559284.9774 10.5551 10.5961 PRESSURE: 202000 -109.827 104.759 74.8059 104.759 40.7806 72.3379 74.8063 72.3381 -46.6984 GPRESSURE: 202000 -110.198 105.627 164.433 78.0245 135.155 54.9318 51.7279 82.2686 -36.5757 PRESSAVG: 202000 2.33255 25.4988 -12.8801 25.4987 1.70088 -18.3854 -12.8802 -18.3853 -31.538 GPRESSAVG: 202000 1.19306 26.516 -11.89 25.2049 2.05939 -18.1143 -14.3212 -18.6664 -30.9929 TIMING: 202000 CPU: 603.438, 0.00304228/step Wall: 603.438, 0.00304228/step, 4.05468 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: 202000 772.5764 2076.3877 1955.7723 106.1742 -205650.0293 17692.7737 0.0000 0.0000 34461.2596 -148585.0854 300.9588 -183046.3449 -148489.5397 301.2127 -38.5816 -3.8727 559226.5152 -9.1682 -9.2468 PRESSURE: 202200 182.965 -81.5012 55.9033 -81.5006 41.4763 -2.48037 55.9028 -2.48086 -6.08472 GPRESSURE: 202200 234.084 -53.4196 129.42 -7.40385 84.9868 -5.403 -22.8858 -28.8127 1.85747 PRESSAVG: 202200 -40.6746 9.84847 -46.5711 9.84856 43.0041 10.0144 -46.5712 10.0144 -0.0506726 GPRESSAVG: 202200 -39.3577 7.35856 -45.9771 12.7988 42.7641 6.74738 -47.8571 12.4901 -1.35863 TIMING: 202200 CPU: 604.039, 0.00300293/step Wall: 604.039, 0.00300293/step, 4.00207 hours remaining, 206.679688 MB of memory in use. ENERGY: 202200 732.9356 2108.0495 1975.5392 110.4300 -205886.4999 17783.6935 0.0000 0.0000 34559.8540 -148615.9981 301.8198 -183175.8521 -148520.6295 300.5154 72.7855 106.9760 556842.5579 0.7596 0.6826 PRESSURE: 202400 189.859 -91.2105 156.557 -91.2105 57.0286 90.0947 156.557 90.0939 97.9674 GPRESSURE: 202400 164.103 -60.3104 126.733 -95.9798 83.6235 2.62516 172.364 101.211 194.412 PRESSAVG: 202400 39.4884 17.4089 23.6451 17.409 -56.2251 11.3893 23.6451 11.3894 47.3568 GPRESSAVG: 202400 39.441 18.6765 22.6736 15.1103 -57.5961 12.185 24.6442 10.6574 48.7925 TIMING: 202400 CPU: 604.637, 0.00298887/step Wall: 604.637, 0.00298887/step, 3.98317 hours remaining, 206.679688 MB of memory in use. ENERGY: 202400 735.2180 2085.0036 1961.3124 110.5507 -205638.9450 17586.1561 0.0000 0.0000 34433.6240 -148727.0802 300.7174 -183160.7042 -148633.5890 300.6701 114.9518 147.3795 556740.6244 10.2067 10.2124 PRESSURE: 202600 -45.429 -41.202 -85.1335 -41.2008 -171.817 63.2927 -85.134 63.294 6.1658 GPRESSURE: 202600 -26.7775 -39.6931 -106.769 -3.40036 -99.1948 52.0487 -108.803 44.2385 8.22899 PRESSAVG: 202600 62.2712 24.7304 -33.0882 24.7304 -54.3025 -46.3596 -33.0882 -46.3596 -1.97639 GPRESSAVG: 202600 61.5188 26.0005 -33.5054 25.2757 -53.0813 -46.2622 -32.8701 -46.238 -2.82758 TIMING: 202600 CPU: 605.23, 0.00296586/step Wall: 605.23, 0.00296586/step, 3.95233 hours remaining, 206.679688 MB of memory in use. ENERGY: 202600 735.0239 2061.4616 1918.9679 108.7244 -205559.3972 17717.8796 0.0000 0.0000 34407.9605 -148609.3792 300.4933 -183017.3397 -148511.3210 301.2036 -70.3601 -39.2478 560430.9869 1.9974 1.8700 PRESSURE: 202800 -290.306 29.3387 -194.17 29.3377 -101.908 -97.135 -194.17 -97.135 104.12 GPRESSURE: 202800 -278.954 -76.1975 -181.349 45.4936 -59.8229 -129.226 -235.903 -80.5272 146.878 PRESSAVG: 202800 -22.0734 34.3187 -13.7269 34.3186 -4.97933 6.41546 -13.7269 6.41551 26.9338 GPRESSAVG: 202800 -21.071 34.8052 -12.3934 33.08 -5.6675 6.92258 -12.4001 6.62934 26.2366 TIMING: 202800 CPU: 605.822, 0.00296324/step Wall: 605.822, 0.00296324/step, 3.94869 hours remaining, 206.679688 MB of memory in use. ENERGY: 202800 737.1488 2143.8974 1946.3806 107.1409 -205554.6717 17561.6348 0.0000 0.0000 34484.0087 -148574.4605 301.1574 -183058.4692 -148477.2248 301.2398 -96.0311 -63.9661 557662.4047 -0.0396 -0.1673 PRESSURE: 203000 185.704 -18.1612 188.113 -18.1611 495.357 -206.368 188.113 -206.369 -190.275 GPRESSURE: 203000 276.296 -94.9931 162.909 65.106 451.982 -122.602 156.763 -190.211 -143.553 PRESSAVG: 203000 -48.4914 10.0503 -58.5788 10.0503 -2.83873 -56.6513 -58.5789 -56.6514 26.7747 GPRESSAVG: 203000 -48.5679 10.3526 -58.2692 9.53426 -3.988 -57.1188 -61.6993 -56.5389 27.6743 TIMING: 203000 CPU: 606.417, 0.00297448/step Wall: 606.417, 0.00297448/step, 3.9635 hours remaining, 206.679688 MB of memory in use. ENERGY: 203000 760.1669 2048.5134 1944.8063 111.3288 -205740.4766 17818.5097 0.0000 0.0000 34516.5870 -148540.5646 301.4419 -183057.1516 -148450.3478 301.5149 163.5950 194.9085 555772.4575 -8.1851 -8.2939 PRESSURE: 203200 -47.7933 -172.57 112.305 -172.57 24.0174 -83.3317 112.304 -83.3319 339.814 GPRESSURE: 203200 19.5942 -139.83 33.0656 -134.343 30.9482 -64.9488 94.8422 -111.911 359.976 PRESSAVG: 203200 -23.6435 6.36495 -23.4006 6.36492 -17.4345 7.95451 -23.4006 7.95454 -23.4643 GPRESSAVG: 203200 -24.1904 4.5349 -24.1577 7.90471 -16.5909 9.80732 -22.1368 7.57599 -24.2606 TIMING: 203200 CPU: 607.009, 0.00296073/step Wall: 607.009, 0.00296073/step, 3.94501 hours remaining, 206.679688 MB of memory in use. ENERGY: 203200 745.7772 2091.1905 1945.4896 105.3042 -205657.1890 17753.5620 0.0000 0.0000 34535.8155 -148480.0500 301.6099 -183015.8655 -148380.8289 300.8584 105.3460 136.8394 557690.9092 -21.5141 -21.6806 PRESSURE: 203400 -36.3494 34.773 -13.1559 34.7729 -77.9087 21.5364 -13.1563 21.5362 152.195 GPRESSURE: 203400 37.5339 18.769 -157.391 72.7733 -79.6077 47.3316 -6.05165 -44.0446 181.436 PRESSAVG: 203400 34.8621 41.1499 -1.97643 41.15 69.3033 10.2957 -1.97634 10.2957 -55.2178 GPRESSAVG: 203400 35.1638 40.5152 -2.0773 41.1622 69.6662 11.2656 -1.57325 10.5723 -55.4366 TIMING: 203400 CPU: 607.605, 0.00297671/step Wall: 607.605, 0.00297671/step, 3.96614 hours remaining, 206.679688 MB of memory in use. ENERGY: 203400 741.7998 2090.3056 1918.4116 113.0046 -205411.2037 17756.0674 0.0000 0.0000 34489.0380 -148302.5765 301.2013 -182791.6146 -148207.0715 301.9844 12.6457 46.4542 559184.4207 16.3159 16.4645 PRESSURE: 203600 48.947 -233.997 -4.39307 -233.997 -63.7324 -82.408 -4.39273 -82.4065 -31.2538 GPRESSURE: 203600 72.6804 -245.344 -40.9483 -189.931 -35.7656 -73.9747 6.50559 -155.591 6.49386 PRESSAVG: 203600 -10.6344 -32.93 17.414 -32.9299 -1.45239 9.96345 17.4141 9.96347 -16.0199 GPRESSAVG: 203600 -11.5028 -31.3796 16.7749 -33.1328 -2.70125 8.52204 16.3322 8.63742 -14.3782 TIMING: 203600 CPU: 608.199, 0.00297147/step Wall: 608.199, 0.00297147/step, 3.95898 hours remaining, 206.679688 MB of memory in use. ENERGY: 203600 775.6401 2081.6830 1951.9577 108.3231 -205474.8254 17864.3295 0.0000 0.0000 34254.3765 -148438.5153 299.1520 -182692.8919 -148343.5523 301.3603 -15.3464 14.4696 559510.7863 -9.3689 -9.5274 PRESSURE: 203800 96.3487 204.446 48.0715 204.445 45.7549 -106.444 48.0726 -106.445 -248.197 GPRESSURE: 203800 95.8955 225.715 139.452 167.478 82.1067 -111.786 83.7539 -83.8656 -195.95 PRESSAVG: 203800 0.12968 15.6795 17.3156 15.6795 -5.55759 0.790261 17.3156 0.790187 -5.565 GPRESSAVG: 203800 -0.103258 15.1877 16.596 14.8796 -4.20076 2.96777 19.4742 1.80633 -6.43544 TIMING: 203800 CPU: 608.797, 0.00299035/step Wall: 608.797, 0.00299035/step, 3.98397 hours remaining, 206.679688 MB of memory in use. ENERGY: 203800 743.8888 2041.1102 1948.4545 117.9411 -205555.1197 17735.2529 0.0000 0.0000 34378.8690 -148589.6033 300.2392 -182968.4723 -148496.7733 300.8339 -35.3646 -5.9826 559897.3042 -3.6643 -3.5798 PRESSURE: 204000 33.0163 32.931 -264.787 32.9295 40.6249 -103.319 -264.786 -103.319 -192.333 GPRESSURE: 204000 93.5956 28.5785 -236.233 -96.2736 10.3772 -80.2095 -273.823 -95.7709 -124.09 PRESSAVG: 204000 8.64216 10.3237 17.2666 10.3237 14.2145 8.10412 17.2666 8.10419 5.89406 GPRESSAVG: 204000 10.426 9.61139 18.2371 11.8164 12.9911 6.93446 18.9894 8.59707 4.8693 TIMING: 204000 CPU: 609.4, 0.00301168/step Wall: 609.4, 0.00301168/step, 4.01223 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: 204000 752.1375 2046.3258 1961.7437 110.7207 -205512.6868 17744.1034 0.0000 0.0000 34472.3250 -148425.3308 301.0554 -182897.6558 -148328.0137 301.2696 -39.5638 -6.7056 558732.1810 9.5836 9.4288 PRESSURE: 204200 94.4684 -133.927 -7.62694 -133.927 -189.076 -79.4489 -7.62622 -79.4501 158.678 GPRESSURE: 204200 98.9388 -171.797 42.2565 -140.898 -115.585 -73.8704 -87.6457 -81.0456 179.342 PRESSAVG: 204200 32.6423 17.1751 27.1651 17.175 -7.99505 -31.7484 27.1652 -31.7485 -42.2306 GPRESSAVG: 204200 30.6783 18.6141 26.8654 15.2773 -6.73827 -32.4007 25.3089 -33.2093 -41.4758 TIMING: 204200 CPU: 609.994, 0.00297178/step Wall: 609.994, 0.00297178/step, 3.95891 hours remaining, 206.679688 MB of memory in use. ENERGY: 204200 765.2661 2077.7429 1936.9550 121.1944 -205551.7783 17778.1610 0.0000 0.0000 34420.3810 -148452.0778 300.6017 -182872.4588 -148348.0045 301.5635 21.3567 54.2319 559049.5980 -5.8611 -5.8453 LDB: ============= START OF LOAD BALANCING ============== 613.507 LDB: ============== END OF LOAD BALANCING =============== 613.507 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 613.509 LDB: ============= START OF LOAD BALANCING ============== 613.806 LDB: Largest compute 4773 load 0.031904 is 27.1% of average load 0.117868 LDB: Average compute 0.001734 is 1.5% of average load 0.117868 LDB: TIME 613.808 LOAD: AVG 0.117868 MAX 0.20844 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.234 MB LDB: TIME 613.808 LOAD: AVG 0.117868 MAX 0.20844 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.234 MB LDB: TIME 613.809 LOAD: AVG 0.117868 MAX 0.20844 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.234 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 613.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 613.814 PRESSURE: 204400 39.0709 -83.5633 -51.8721 -83.5627 -5.38417 25.0178 -51.8712 25.0172 318.342 GPRESSURE: 204400 52.0368 -22.6598 -29.5822 -71.4612 41.1263 55.717 11.1405 94.8939 349.875 PRESSAVG: 204400 -38.0475 -6.73969 -25.6453 -6.73965 -20.7845 37.9447 -25.6454 37.9447 43.7555 GPRESSAVG: 204400 -37.5682 -8.29385 -24.4035 -5.95736 -21.4404 38.0111 -25.7053 39.5631 43.6707 TIMING: 204400 CPU: 610.598, 0.00301987/step Wall: 610.598, 0.00301987/step, 4.0228 hours remaining, 204.746094 MB of memory in use. ENERGY: 204400 744.3386 2078.5349 1964.3483 102.0082 -206025.7135 17935.0095 0.0000 0.0000 34645.3349 -148556.1391 302.5663 -183201.4740 -148461.9143 301.3892 117.3428 147.6794 557239.8515 -5.0255 -5.1127 Info: useSync: 0 useProxySync: 0 PRESSURE: 204600 96.7115 91.6048 18.9652 91.6052 -49.386 65.2748 18.9654 65.2752 -100.526 GPRESSURE: 204600 101.635 62.6025 -26.9322 73.507 -4.79718 14.4259 5.37955 85.8897 -50.025 PRESSAVG: 204600 13.2525 19.9622 16.1423 19.9622 15.944 -0.297401 16.1423 -0.29724 9.88798 GPRESSAVG: 204600 13.1892 22.0071 14.6814 18.5631 16.1418 0.593947 16.8666 0.498147 9.99162 TIMING: 204600 CPU: 611.195, 0.00298544/step Wall: 611.195, 0.00298544/step, 3.97677 hours remaining, 204.949219 MB of memory in use. ENERGY: 204600 756.7363 2134.7495 1958.9675 126.1566 -205483.1222 17623.8565 0.0000 0.0000 34266.8296 -148615.8261 299.2607 -182882.6558 -148511.6051 300.7959 -17.7335 15.6044 558860.3854 13.0282 13.1075 PRESSURE: 204800 -325.157 15.6366 -104.142 15.6361 -185.038 1.32382 -104.142 1.32334 72.651 GPRESSURE: 204800 -247.865 18.8324 -90.3152 84.7927 -147.295 -15.3982 -104.59 -36.2557 39.6767 PRESSAVG: 204800 22.5325 11.8945 -22.8045 11.8946 -3.90833 -21.587 -22.8045 -21.5871 -34.0527 GPRESSAVG: 204800 23.1999 10.2423 -22.561 13.0125 -3.60763 -21.3484 -25.8435 -21.3655 -34.2009 TIMING: 204800 CPU: 611.793, 0.00299005/step Wall: 611.793, 0.00299005/step, 3.98275 hours remaining, 204.949219 MB of memory in use. ENERGY: 204800 724.5751 2158.6029 1942.7009 109.9891 -205420.2885 17394.0065 0.0000 0.0000 34442.7686 -148647.6453 300.7973 -183090.4140 -148545.5183 300.7801 -145.8479 -118.4944 558520.2076 -5.1428 -4.8695 PRESSURE: 205000 72.8257 -135.865 28.2694 -135.865 -77.7228 12.6961 28.2704 12.6981 -136.044 GPRESSURE: 205000 78.5825 -87.6056 -76.5608 -2.32409 -88.2293 -11.9235 61.6254 -1.96394 -35.4072 PRESSAVG: 205000 87.5298 54.5919 30.6358 54.5919 -15.5166 -6.01653 30.636 -6.01656 -55.1625 GPRESSAVG: 205000 87.1764 54.2941 30.7382 56.3792 -15.1592 -4.9879 33.0263 -7.94699 -55.1436 TIMING: 205000 CPU: 612.389, 0.00298256/step Wall: 612.389, 0.00298256/step, 3.9726 hours remaining, 204.949219 MB of memory in use. ENERGY: 205000 788.3550 2116.5040 1962.8884 119.1101 -205943.7433 17825.7207 0.0000 0.0000 34537.0992 -148594.0660 301.6211 -183131.1652 -148494.7217 301.6066 -46.9803 -15.0180 558715.5136 5.6169 5.6245 PRESSURE: 205200 142.525 -82.4237 15.1497 -82.4244 -275.552 -4.87886 15.1497 -4.87852 111.337 GPRESSURE: 205200 153.415 -169.927 110.286 -24.8486 -242.59 -100.375 -18.1125 -11.0691 165.614 PRESSAVG: 205200 122.207 -33.5527 40.5357 -33.5527 -82.4819 45.6629 40.5357 45.6629 -7.02951 GPRESSAVG: 205200 120.87 -34.4889 41.2635 -33.53 -82.5849 44.0796 39.213 45.5578 -5.37437 TIMING: 205200 CPU: 612.988, 0.00299029/step Wall: 612.988, 0.00299029/step, 3.98273 hours remaining, 204.949219 MB of memory in use. ENERGY: 205200 732.3519 2129.9280 1942.3219 110.2280 -205623.7572 17655.5222 0.0000 0.0000 34281.3877 -148772.0175 299.3879 -183053.4052 -148676.4000 300.9995 -7.2298 25.4795 559131.9046 10.8987 10.9703 PRESSURE: 205400 -83.5067 27.0071 -153.372 27.0059 -85.9021 40.0206 -153.371 40.0213 -38.2951 GPRESSURE: 205400 -63.488 56.1572 -179.812 55.1369 -3.83858 -26.1195 -70.1007 104.01 -39.5391 PRESSAVG: 205400 -24.971 -36.7392 47.7981 -36.7392 -2.30146 37.3019 47.798 37.3018 37.2247 GPRESSAVG: 205400 -23.2931 -35.2232 46.6259 -37.8052 -3.14934 38.1196 48.656 36.7204 36.0946 TIMING: 205400 CPU: 613.589, 0.0030056/step Wall: 613.589, 0.0030056/step, 4.00296 hours remaining, 204.949219 MB of memory in use. ENERGY: 205400 721.2690 2098.8265 1947.9084 112.6806 -205963.1901 17655.5427 0.0000 0.0000 34475.1485 -148951.8143 301.0800 -183426.9628 -148859.5462 301.0745 -69.2347 -35.6219 558612.5398 3.3174 3.2174 PRESSURE: 205600 127.771 -79.7097 -43.1401 -79.7099 81.3396 52.23 -43.1389 52.2318 51.5626 GPRESSURE: 205600 211.515 -30.1173 6.17854 -163.673 55.7842 103.786 -12.6205 51.3163 92.5781 PRESSAVG: 205600 -52.3626 -62.4283 26.4954 -62.4282 49.7275 57.948 26.4953 57.9479 17.4323 GPRESSAVG: 205600 -51.7308 -60.9932 26.9755 -62.4573 49.321 57.7449 25.3875 57.9092 16.6675 TIMING: 205600 CPU: 614.191, 0.00301267/step Wall: 614.191, 0.00301267/step, 4.01221 hours remaining, 204.949219 MB of memory in use. ENERGY: 205600 804.0917 2086.1933 1949.3365 115.8754 -206031.5588 17865.2925 0.0000 0.0000 34284.4434 -148926.3260 299.4146 -183210.7694 -148842.6826 299.8507 86.8911 119.9590 557318.1013 4.9324 4.7526 PRESSURE: 205800 78.6477 -43.491 13.7985 -43.4911 135.752 -33.1923 13.8001 -33.1921 -63.3941 GPRESSURE: 205800 63.5901 -12.0896 -87.1671 -105.889 193.172 45.2242 94.3582 -69.1683 -8.91766 PRESSAVG: 205800 -12.6923 -16.6069 6.08879 -16.6069 -31.5639 26.9401 6.08877 26.9402 29.6602 GPRESSAVG: 205800 -13.5205 -18.6013 4.77545 -15.4717 -30.047 27.3982 6.51334 26.1508 29.3317 TIMING: 205800 CPU: 614.792, 0.00300446/step Wall: 614.792, 0.00300446/step, 4.00111 hours remaining, 204.949219 MB of memory in use. ENERGY: 205800 745.1079 2057.1875 1964.0447 117.7510 -206501.3668 17894.9068 0.0000 0.0000 34489.7273 -149232.6417 301.2074 -183722.3689 -149133.2806 299.8809 50.3353 82.6149 556949.8686 -4.8653 -4.7453 PRESSURE: 206000 -149.09 81.6959 1.44452 81.6965 -187.414 35.3265 1.44419 35.3267 253.458 GPRESSURE: 206000 -64.7621 90.8578 1.68706 29.2074 -125.338 50.8551 4.53276 118.61 198.583 PRESSAVG: 206000 -47.3145 -17.5536 31.2647 -17.5536 -21.707 -3.92383 31.2646 -3.92389 73.3355 GPRESSAVG: 206000 -47.8081 -16.4608 31.3892 -19.2344 -23.1239 -3.30702 31.0841 -2.88783 75.4532 TIMING: 206000 CPU: 615.395, 0.00301354/step Wall: 615.395, 0.00301354/step, 4.01303 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: 206000 720.2780 2126.6341 1965.9530 118.4586 -206078.1016 17790.6655 0.0000 0.0000 34347.5802 -149008.5322 299.9660 -183356.1124 -148909.2164 299.8879 -27.6820 2.8275 559082.4453 1.4380 1.5071 PRESSURE: 206200 -41.0578 -61.0614 38.0923 -61.061 89.7232 -58.1914 38.0932 -58.1913 174.873 GPRESSURE: 206200 3.98025 -106.325 -17.9178 -52.2399 97.035 -132.413 56.3917 30.7369 215.722 PRESSAVG: 206200 -4.64459 -47.4235 3.29311 -47.4234 46.7225 -31.7207 3.29307 -31.7209 -56.8976 GPRESSAVG: 206200 -4.64287 -48.1135 4.80443 -46.1083 47.4189 -32.4874 2.8288 -32.0046 -57.6918 TIMING: 206200 CPU: 615.991, 0.00298127/step Wall: 615.991, 0.00298127/step, 3.96989 hours remaining, 204.949219 MB of memory in use. ENERGY: 206200 759.4818 2083.2477 1944.6438 106.4436 -206398.7515 18151.8521 0.0000 0.0000 34141.3435 -149211.7390 298.1648 -183353.0825 -149121.1200 299.6351 74.5129 105.5791 559285.8906 -4.9399 -4.9719 PRESSURE: 206400 -138.922 -31.1132 60.3157 -31.1123 -233.954 -38.4514 60.3142 -38.4528 -28.6225 GPRESSURE: 206400 -74.4322 46.2985 35.7975 64.3365 -221.149 -62.6143 74.292 -68.8585 -12.1987 PRESSAVG: 206400 -79.5726 -24.5918 -18.3355 -24.592 98.4266 -8.61166 -18.3354 -8.61178 13.1256 GPRESSAVG: 206400 -79.0041 -24.22 -20.6864 -23.4943 97.9798 -8.56961 -16.4057 -6.42136 12.7325 TIMING: 206400 CPU: 616.584, 0.00296601/step Wall: 616.584, 0.00296601/step, 3.9494 hours remaining, 204.949219 MB of memory in use. ENERGY: 206400 729.3026 2098.0376 1963.2086 106.7295 -206095.8466 17720.2265 0.0000 0.0000 34257.0456 -149221.2963 299.1753 -183478.3418 -149120.1479 299.8092 -133.8325 -102.5933 558631.4290 10.6599 10.5694 PRESSURE: 206600 164.306 -156.613 100.084 -156.613 137.085 -22.1661 100.084 -22.1664 -10.9194 GPRESSURE: 206600 262.595 -132.589 137.854 -77.7299 112.881 161.966 48.5336 -148.959 26.3884 PRESSAVG: 206600 -30.1724 -22.7743 8.69532 -22.7743 81.9474 -22.264 8.69548 -22.2641 -10.0719 GPRESSAVG: 206600 -29.6292 -22.4732 8.76678 -24.716 81.4519 -22.6814 8.45841 -25.6132 -10.0608 TIMING: 206600 CPU: 617.18, 0.00297941/step Wall: 617.18, 0.00297941/step, 3.96708 hours remaining, 204.949219 MB of memory in use. ENERGY: 206600 757.2109 2067.7671 1958.8054 105.5309 -206223.3393 17909.9433 0.0000 0.0000 34227.2624 -149196.8193 298.9152 -183424.0817 -149087.0323 299.8938 96.8238 133.9547 556365.8403 13.9010 13.9207 PRESSURE: 206800 112.718 106.098 181.095 106.098 217.49 -85.159 181.095 -85.1589 -90.5311 GPRESSURE: 206800 138.745 110.448 125.348 144.305 238.741 -67.4986 228.721 -109.325 -30.2173 PRESSAVG: 206800 48.6265 -7.45989 6.3058 -7.45985 9.42981 -4.86067 6.3057 -4.86075 -58.1134 GPRESSAVG: 206800 47.9114 -10.0215 8.11577 -7.77114 10.8418 -3.20034 4.87655 -6.32186 -59.7764 TIMING: 206800 CPU: 617.781, 0.00300314/step Wall: 617.781, 0.00300314/step, 3.99851 hours remaining, 204.949219 MB of memory in use. ENERGY: 206800 723.4831 2092.3136 1947.5202 112.8246 -206149.4513 17844.2848 0.0000 0.0000 34329.2068 -149099.8182 299.8055 -183429.0250 -148999.7133 299.2308 79.8923 115.7562 556797.8106 -0.0190 -0.3411 PRESSURE: 207000 -354.224 -60.9071 -159.466 -60.9071 241.477 8.61192 -159.467 8.61023 -134.014 GPRESSURE: 207000 -321.853 -60.1585 -271.53 2.58817 257.56 -36.2899 -121.68 33.8918 -93.174 PRESSAVG: 207000 2.39217 18.5438 29.0259 18.5438 4.55014 -35.6057 29.026 -35.6056 14.4413 GPRESSAVG: 207000 1.68942 20.8738 30.2257 17.376 3.30352 -37.5146 28.176 -32.6225 16.2834 TIMING: 207000 CPU: 618.383, 0.00301052/step Wall: 618.383, 0.00301052/step, 4.00818 hours remaining, 204.949219 MB of memory in use. ENERGY: 207000 739.6178 2121.2450 1959.0316 113.9576 -205979.2530 17801.1950 0.0000 0.0000 34230.6685 -149013.5375 298.9449 -183244.2060 -148916.1235 299.2765 -82.2535 -52.4890 558659.4650 7.1279 7.0921 PRESSURE: 207200 -106.462 -79.7201 -62.2636 -79.7198 -240.725 164.142 -62.2649 164.143 -356.78 GPRESSURE: 207200 -57.5188 -125.466 -86.962 94.7177 -195.671 177.214 -111.138 185.085 -354.796 PRESSAVG: 207200 17.5328 -66.9111 38.5831 -66.9112 -6.15824 4.64672 38.5831 4.64675 2.16803 GPRESSAVG: 207200 17.4643 -68.7747 39.0766 -64.9591 -5.07933 5.0487 37.6359 2.79526 1.11067 TIMING: 207200 CPU: 618.984, 0.00300538/step Wall: 618.984, 0.00300538/step, 4.00117 hours remaining, 204.949219 MB of memory in use. ENERGY: 207200 796.8786 2095.2869 1946.0106 136.1707 -206138.1685 17683.2723 0.0000 0.0000 34438.6026 -149041.9469 300.7609 -183480.5495 -148943.5337 299.4774 -234.6552 -202.6621 559062.4216 4.5142 4.4985 PRESSURE: 207400 55.6706 103.363 13.6287 103.364 -26.2679 -43.8678 13.6283 -43.8682 60.283 GPRESSURE: 207400 76.8047 96.9134 57.89 50.5067 8.2271 -50.264 -82.9482 -17.7956 100.78 PRESSAVG: 207400 -26.6072 -14.0207 47.2343 -14.0207 -34.5046 10.645 47.2343 10.6449 65.3825 GPRESSAVG: 207400 -26.7306 -12.6098 46.2599 -14.4656 -35.3376 11.7723 46.3195 11.7151 65.9435 TIMING: 207400 CPU: 619.577, 0.00296508/step Wall: 619.577, 0.00296508/step, 3.94734 hours remaining, 204.949219 MB of memory in use. ENERGY: 207400 764.7809 2079.1330 1949.9207 112.3174 -206397.8469 17963.1364 0.0000 0.0000 34197.9269 -149330.6316 298.6590 -183528.5585 -149230.1222 299.7457 29.8952 61.9374 556859.8758 1.4236 1.2918 PRESSURE: 207600 -42.0987 -112.067 -251.873 -112.066 -197.798 -182.459 -251.873 -182.459 60.4012 GPRESSURE: 207600 23.9883 -174.934 -216.421 -107.136 -193.923 -177.434 -247.935 -169.409 84.8739 PRESSAVG: 207600 -64.0879 73.1767 -11.7539 73.1768 22.1793 -31.4622 -11.7538 -31.4621 52.5817 GPRESSAVG: 207600 -63.9466 72.8658 -11.7613 70.9567 21.5778 -31.7203 -9.10306 -30.2145 52.6931 TIMING: 207600 CPU: 620.178, 0.00300456/step Wall: 620.178, 0.00300456/step, 3.99974 hours remaining, 204.949219 MB of memory in use. ENERGY: 207600 750.1304 2081.4136 1951.4667 115.5615 -206017.8388 17690.1080 0.0000 0.0000 34281.9000 -149147.2587 299.3924 -183429.1586 -149045.0769 299.3770 -59.8317 -28.3536 557070.3802 3.5577 3.4414 PRESSURE: 207800 -135.648 16.6378 39.6234 16.6373 -267.646 -80.6666 39.6233 -80.6664 234.561 GPRESSURE: 207800 -74.0393 26.3383 117.591 -8.06432 -229.063 -28.6334 -84.138 -111.854 248.284 PRESSAVG: 207800 -41.8137 74.3323 -11.6223 74.3323 -25.157 -6.32815 -11.6223 -6.32812 83.9947 GPRESSAVG: 207800 -40.3906 76.0391 -12.7003 73.7839 -25.6241 -5.78612 -9.28442 -7.89522 82.9553 TIMING: 207800 CPU: 620.779, 0.00300414/step Wall: 620.779, 0.00300414/step, 3.99901 hours remaining, 204.949219 MB of memory in use. ENERGY: 207800 750.1069 2103.4389 1959.5190 117.7118 -206016.9592 17686.4750 0.0000 0.0000 34399.0270 -149000.6804 300.4153 -183399.7075 -148898.5658 299.7752 -56.2442 -18.2729 557573.1158 5.6747 5.6469 PRESSURE: 208000 -216.657 101.711 -91.2423 101.712 92.906 -31.3538 -91.2428 -31.3549 13.1414 GPRESSURE: 208000 -151.82 -12.4369 -33.9415 158.448 124.665 -79.9652 -94.1605 -18.0061 6.01513 PRESSAVG: 208000 -3.02199 41.1351 -20.314 41.1351 -8.68357 -28.8973 -20.314 -28.8972 17.343 GPRESSAVG: 208000 -4.62107 38.0581 -18.2182 46.4503 -7.28601 -30.5939 -23.6583 -27.2486 17.7742 TIMING: 208000 CPU: 621.374, 0.00297738/step Wall: 621.374, 0.00297738/step, 3.96322 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: 208000 753.8242 2097.5822 1952.4150 119.0945 -206091.9178 17786.4287 0.0000 0.0000 34531.3690 -148851.2042 301.5710 -183382.5733 -148749.3361 299.1137 -36.8697 -7.0464 558198.7020 1.8792 1.9557 PRESSURE: 208200 144.922 19.8343 -3.97866 19.833 -52.8093 80.8431 -3.97971 80.8416 50.2742 GPRESSURE: 208200 161.944 23.1917 -25.9726 -3.48866 68.1361 2.43974 -39.6042 30.8634 -3.1407 PRESSAVG: 208200 46.6245 7.33723 -63.9153 7.33719 -77.8439 13.3331 -63.9153 13.3331 55.2783 GPRESSAVG: 208200 46.0909 6.37787 -64.6055 5.40287 -78.6233 14.876 -63.5241 11.823 56.9682 TIMING: 208200 CPU: 621.963, 0.00294522/step Wall: 621.963, 0.00294522/step, 3.92025 hours remaining, 204.949219 MB of memory in use. ENERGY: 208200 743.4118 2066.1485 1972.1423 110.1096 -205821.1500 17811.7730 0.0000 0.0000 34139.8887 -148977.6761 298.1521 -183117.5648 -148886.5820 300.0572 47.4623 75.6463 557322.6047 8.0196 8.1453 LDB: ============= START OF LOAD BALANCING ============== 625.477 LDB: ============== END OF LOAD BALANCING =============== 625.477 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 625.479 LDB: ============= START OF LOAD BALANCING ============== 625.775 LDB: Largest compute 4773 load 0.030770 is 26.1% of average load 0.117892 LDB: Average compute 0.001735 is 1.5% of average load 0.117892 LDB: TIME 625.777 LOAD: AVG 0.117892 MAX 0.208467 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.008 MB LDB: TIME 625.778 LOAD: AVG 0.117892 MAX 0.208467 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.211 MB LDB: TIME 625.778 LOAD: AVG 0.117892 MAX 0.208467 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.211 MB LDB: ============== END OF LOAD BALANCING =============== 625.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 625.784 PRESSURE: 208400 98.8195 -67.8096 10.4257 -67.8103 -15.3583 53.0812 10.4265 53.081 -220.63 GPRESSURE: 208400 109.225 -54.937 20.7257 25.0962 -2.89108 42.5777 -25.1229 13.8446 -141.574 PRESSAVG: 208400 63.453 12.6478 -10.9348 12.6477 -47.2125 17.2294 -10.9348 17.2294 -52.7338 GPRESSAVG: 208400 64.3299 15.1824 -11.8239 11.7282 -46.7693 15.3721 -9.01132 18.4223 -53.9882 TIMING: 208400 CPU: 622.567, 0.00301964/step Wall: 622.567, 0.00301964/step, 4.01914 hours remaining, 204.949219 MB of memory in use. ENERGY: 208400 762.5701 2124.7547 1940.5993 114.4099 -206036.5708 17837.1524 0.0000 0.0000 34290.1127 -148966.9719 299.4641 -183257.0846 -148868.3942 300.2741 -45.7228 -11.7464 558355.6554 -12.1644 -12.1425 PRESSURE: 208600 121.484 25.6708 -127.629 25.6708 -93.0429 89.2553 -127.63 89.2543 14.8043 GPRESSURE: 208600 109.986 59.3436 -105.854 100.174 -25.6124 134.595 -66.1957 75.6596 59.7938 PRESSAVG: 208600 104.218 -43.4198 -13.6922 -43.4198 5.85853 40.3121 -13.6923 40.3122 -79.9693 GPRESSAVG: 208600 104.21 -42.2839 -15.2275 -45.7468 5.57705 42.0265 -13.3268 39.6363 -79.5465 TIMING: 208600 CPU: 623.158, 0.00295346/step Wall: 623.158, 0.00295346/step, 3.93089 hours remaining, 204.949219 MB of memory in use. ENERGY: 208600 739.0169 2019.6735 1987.1841 107.2230 -205948.5337 17721.1617 0.0000 0.0000 34385.5928 -148988.6816 300.2979 -183374.2745 -148892.6211 299.7484 14.4151 48.0559 557095.6989 10.0356 10.0800 PRESSURE: 208800 82.3122 -211.291 20.977 -211.293 -188.258 -7.36728 20.9772 -7.36819 30.7446 GPRESSURE: 208800 139.267 -219.674 15.5982 -235.296 -111.07 -38.2336 -4.53642 50.3605 -10.6374 PRESSAVG: 208800 10.1747 -79.3831 -59.4102 -79.3831 -5.04756 68.1893 -59.4102 68.1892 -11.5435 GPRESSAVG: 208800 10.1017 -80.9078 -58.1776 -77.6803 -4.93785 66.3452 -60.5584 68.3415 -11.1037 TIMING: 208800 CPU: 623.748, 0.00294908/step Wall: 623.748, 0.00294908/step, 3.9249 hours remaining, 204.949219 MB of memory in use. ENERGY: 208800 741.7515 2136.7658 1930.3803 107.9356 -205804.9698 17805.8979 0.0000 0.0000 34072.5271 -149009.7116 297.5639 -183082.2387 -148915.6838 299.7969 -25.0671 5.8531 558036.9999 -2.1388 -1.9800 PRESSURE: 209000 -244.472 -78.3239 -30.8946 -78.3243 -130.871 -55.7193 -30.8954 -55.721 -435.979 GPRESSURE: 209000 -155.864 -135.829 -57.2986 -39.5022 -173.032 -12.8106 9.74698 -57.0533 -384.806 PRESSAVG: 209000 27.7316 -32.0394 -72.1893 -32.0394 -22.9098 -59.5539 -72.1893 -59.554 5.11527 GPRESSAVG: 209000 28.0007 -32.8474 -71.8753 -30.0443 -22.6714 -56.9287 -71.8637 -60.0891 4.54957 TIMING: 209000 CPU: 624.342, 0.00297283/step Wall: 624.342, 0.00297283/step, 3.95634 hours remaining, 204.949219 MB of memory in use. ENERGY: 209000 754.7306 2022.3008 1974.2753 104.2469 -205746.4789 17375.6747 0.0000 0.0000 34417.8252 -149097.4254 300.5794 -183515.2506 -149000.2447 299.9594 -270.4404 -237.9004 559057.9572 3.3123 3.2929 PRESSURE: 209200 269.351 -30.236 20.6688 -30.2371 73.0616 -105.584 20.6676 -105.586 369.293 GPRESSURE: 209200 275.704 4.36023 -49.4218 -68.8377 167.97 20.9936 9.0711 -135.856 374.039 PRESSAVG: 209200 -2.66648 -23.2134 -45.4054 -23.2133 -0.118332 -0.827386 -45.4053 -0.827428 -35.124 GPRESSAVG: 209200 -2.78039 -22.1776 -45.0667 -24.063 0.774776 -1.63729 -46.6546 -0.604053 -35.6103 TIMING: 209200 CPU: 624.94, 0.00298982/step Wall: 624.94, 0.00298982/step, 3.97879 hours remaining, 204.949219 MB of memory in use. ENERGY: 209200 709.5270 2066.0310 1952.9232 111.0607 -206438.2831 18178.2468 0.0000 0.0000 34353.6156 -149066.8789 300.0187 -183420.4944 -148970.9305 299.3386 237.2351 272.5707 557604.8939 -12.6363 -12.5386 PRESSURE: 209400 -15.1793 63.4384 -17.1778 63.4382 27.3889 -91.8005 -17.176 -91.8004 38.4128 GPRESSURE: 209400 78.3007 -5.56626 24.591 118.351 41.6346 -145.437 24.4079 -50.7795 21.5095 PRESSAVG: 209400 -2.63121 -7.05057 14.5435 -7.05055 11.4474 24.1308 14.5436 24.1308 3.28014 GPRESSAVG: 209400 -2.7288 -7.54178 16.1793 -7.52022 11.3373 24.0278 13.0305 25.1454 3.37104 TIMING: 209400 CPU: 625.533, 0.00296183/step Wall: 625.533, 0.00296183/step, 3.94137 hours remaining, 204.949219 MB of memory in use. ENERGY: 209400 700.5832 2032.7866 1940.6693 123.2971 -206062.8240 17874.2113 0.0000 0.0000 34352.0102 -149039.2663 300.0046 -183391.2765 -148943.0270 300.1150 16.8741 47.1482 558642.4535 4.0321 3.9932 PRESSURE: 209600 120.172 -60.434 -45.8844 -60.4352 -109.848 14.6729 -45.8835 14.6728 -108.038 GPRESSURE: 209600 111.983 -113.756 -125.804 -54.1029 -73.3872 11.9533 31.0249 -32.5102 -46.6487 PRESSAVG: 209600 13.1872 -10.5172 -62.0731 -10.5171 50.9963 -31.6596 -62.0731 -31.6596 -24.8928 GPRESSAVG: 209600 13.5909 -8.86099 -63.9215 -11.4966 50.6714 -30.01 -60.0771 -33.5113 -24.5109 TIMING: 209600 CPU: 626.128, 0.00297831/step Wall: 626.128, 0.00297831/step, 3.96314 hours remaining, 204.949219 MB of memory in use. ENERGY: 209600 756.5833 2064.2466 1943.1000 102.0451 -205953.7695 17861.5883 0.0000 0.0000 34390.8624 -148835.3438 300.3440 -183226.2062 -148741.9367 299.9091 -32.5712 -2.6841 558719.7276 13.0969 13.2504 PRESSURE: 209800 113.331 -8.9582 132.25 -8.95753 91.1897 249.326 132.249 249.326 150.046 GPRESSURE: 209800 136.422 0.768478 121.91 -98.2686 142.961 306.223 83.5785 272.133 173.635 PRESSAVG: 209800 43.211 35.0255 -26.6212 35.0255 -38.5793 35.3979 -26.6213 35.3979 2.15393 GPRESSAVG: 209800 43.9061 33.5345 -24.1384 34.9947 -39.4191 32.3968 -26.2555 37.9628 2.54769 TIMING: 209800 CPU: 626.724, 0.00297668/step Wall: 626.724, 0.00297668/step, 3.9608 hours remaining, 204.949219 MB of memory in use. ENERGY: 209800 739.0450 2056.2601 1973.1330 102.4460 -205860.3845 17842.3419 0.0000 0.0000 34345.0795 -148802.0791 299.9441 -183147.1586 -148711.6255 299.8959 118.1889 151.0063 557273.4124 2.2619 2.3449 PRESSURE: 210000 34.7599 181.827 -16.6253 181.827 -64.5707 19.5701 -16.625 19.5694 75.8944 GPRESSURE: 210000 102.23 145.991 88.2447 278.039 -66.4005 77.5336 -23.6716 14.3405 100.502 PRESSAVG: 210000 7.37301 16.8751 42.3923 16.8751 -81.7908 38.464 42.3923 38.464 67.2445 GPRESSAVG: 210000 7.53458 19.5508 39.8292 17.6566 -81.856 40.9157 40.8099 38.0862 67.3202 TIMING: 210000 CPU: 627.312, 0.00294366/step Wall: 627.312, 0.00294366/step, 3.9167 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: 210000 764.1549 2032.5490 1948.2356 109.9099 -206089.0982 17916.4755 0.0000 0.0000 34342.1140 -148975.6592 299.9182 -183317.7733 -148879.0477 300.1710 15.3612 45.4440 558619.8381 -2.3911 -2.3337 PRESSURE: 210200 20.9628 62.8935 61.0175 62.8944 43.7487 -19.7283 61.0187 -19.7295 -260.816 GPRESSURE: 210200 53.3053 35.3978 6.41922 36.0857 91.9569 34.6253 154.056 -28.9103 -239.319 PRESSAVG: 210200 22.7498 46.3177 -5.91892 46.3177 6.33287 27.9103 -5.91884 27.9104 -46.7552 GPRESSAVG: 210200 22.7179 44.3072 -5.84934 47.2289 6.63846 27.5624 -3.82275 27.2181 -47.1238 TIMING: 210200 CPU: 627.902, 0.00294837/step Wall: 627.902, 0.00294837/step, 3.9228 hours remaining, 204.949219 MB of memory in use. ENERGY: 210200 754.3580 2095.5986 1928.9922 107.4086 -206105.1660 17863.9540 0.0000 0.0000 34336.8782 -149017.9765 299.8725 -183354.8547 -148918.8658 299.9176 -65.3680 -31.3522 557725.3751 -5.8908 -5.9225 PRESSURE: 210400 -74.1364 -94.4581 -51.1708 -94.4592 -7.20529 -149.551 -51.1716 -149.552 -55.5483 GPRESSURE: 210400 -16.0166 -20.6414 -165.858 -187.996 -25.7787 -163.185 64.4438 -81.9204 -5.53014 PRESSAVG: 210400 44.6593 6.23601 1.82244 6.23605 -45.3136 -28.1217 1.8225 -28.1216 43.3647 GPRESSAVG: 210400 44.9609 4.59856 2.76615 5.60148 -45.6881 -28.0586 -0.708703 -29.4351 42.9161 TIMING: 210400 CPU: 628.49, 0.0029416/step Wall: 628.49, 0.0029416/step, 3.91364 hours remaining, 204.949219 MB of memory in use. ENERGY: 210400 739.0263 2067.9788 1964.7974 127.7691 -206040.7708 17774.4157 0.0000 0.0000 34220.8734 -149145.9100 298.8594 -183366.7834 -149046.4043 300.0192 -45.6300 -15.7751 557035.8781 14.2368 14.0630 PRESSURE: 210600 70.7932 63.2601 -157.358 63.2618 137.36 -33.2942 -157.359 -33.2933 114.484 GPRESSURE: 210600 73.4316 41.5889 -213.48 73.4017 186.945 -10.5268 -135.179 -96.5985 166.826 PRESSAVG: 210600 17.0482 -24.7993 -37.2064 -24.7994 -69.7948 -6.92169 -37.2064 -6.92168 17.7095 GPRESSAVG: 210600 15.5105 -24.1228 -40.7871 -24.3748 -69.7984 -8.66829 -36.4562 -6.75144 18.9993 TIMING: 210600 CPU: 629.078, 0.00293677/step Wall: 629.078, 0.00293677/step, 3.90704 hours remaining, 204.949219 MB of memory in use. ENERGY: 210600 743.6885 2079.5904 1926.0750 114.6032 -206065.6925 17825.3023 0.0000 0.0000 34298.6296 -149077.8035 299.5385 -183376.4331 -148991.2780 299.5867 107.5458 142.4008 556441.9168 -11.6791 -11.7629 PRESSURE: 210800 147.52 -103.47 -12.7325 -103.47 213.476 -10.776 -12.732 -10.7761 140.169 GPRESSURE: 210800 129.424 -101.279 -47.5832 -154.917 221.029 9.09074 -65.4819 -145.639 248.173 PRESSAVG: 210800 -57.3995 -50.7954 -24.719 -50.7954 28.844 -10.2736 -24.7191 -10.2736 51.0621 GPRESSAVG: 210800 -56.8361 -48.5494 -21.2143 -51.2296 30.3679 -10.4724 -25.5568 -10.0529 49.1505 TIMING: 210800 CPU: 629.668, 0.00295249/step Wall: 629.668, 0.00295249/step, 3.9278 hours remaining, 204.949219 MB of memory in use. ENERGY: 210800 748.8088 2096.1252 1949.9121 118.1367 -206073.1222 17899.3502 0.0000 0.0000 34373.6852 -148887.1040 300.1939 -183260.7892 -148793.7976 299.9036 167.0549 199.5421 556643.7238 7.5022 7.5608 PRESSURE: 211000 115.891 -215.657 19.0594 -215.656 146.109 41.9916 19.0605 41.9931 235.611 GPRESSURE: 211000 202.154 -64.1413 -1.97145 -267.783 158.974 64.8296 61.7245 13.8158 239.469 PRESSAVG: 211000 -9.37671 -7.61153 37.0775 -7.61163 54.1996 -39.3708 37.0776 -39.3707 39.6556 GPRESSAVG: 211000 -9.29596 -8.62079 35.477 -8.21627 54.5677 -38.0339 38.0939 -39.2627 39.0871 TIMING: 211000 CPU: 630.26, 0.00296176/step Wall: 630.26, 0.00296176/step, 3.93996 hours remaining, 204.949219 MB of memory in use. ENERGY: 211000 761.6273 2076.2469 1926.8277 118.5390 -206195.0413 18016.5932 0.0000 0.0000 34321.4513 -148973.7559 299.7378 -183295.2072 -148874.4118 300.4924 165.8703 200.1992 554884.2399 28.1595 28.1196 PRESSURE: 211200 -87.3587 -123.841 77.5218 -123.841 -327.228 -44.8241 77.5222 -44.823 -235.049 GPRESSURE: 211200 -84.5653 -49.4214 6.8369 -71.731 -227.153 -68.932 63.6919 -34.8363 -228.517 PRESSAVG: 211200 -55.3994 -23.6968 6.69131 -23.6968 4.14403 44.4272 6.6913 44.4272 96.66 GPRESSAVG: 211200 -54.6895 -23.2919 7.1289 -23.7782 2.04895 43.9007 5.0114 45.0539 98.0378 TIMING: 211200 CPU: 630.855, 0.00297507/step Wall: 630.855, 0.00297507/step, 3.95751 hours remaining, 204.949219 MB of memory in use. ENERGY: 211200 754.0687 2106.8970 1931.3433 116.0167 -205654.0767 17389.6658 0.0000 0.0000 34292.1842 -149063.9010 299.4822 -183356.0852 -148964.5404 299.9902 -216.5451 -180.0786 557144.0508 15.1349 15.1324 PRESSURE: 211400 131.818 -156.587 -83.1049 -156.587 280.867 -4.41607 -83.1041 -4.41606 74.1415 GPRESSURE: 211400 123.403 -218.933 -69.8373 -173.346 332.776 -9.87453 -84.9149 -65.7368 131.84 PRESSAVG: 211400 36.1268 -25.0321 35.0035 -25.032 -19.6963 28.3326 35.0036 28.3327 -1.88892 GPRESSAVG: 211400 36.2193 -26.6741 35.0862 -24.8911 -20.5185 27.7416 37.5916 28.7011 -1.14798 TIMING: 211400 CPU: 631.451, 0.00297694/step Wall: 631.451, 0.00297694/step, 3.95983 hours remaining, 204.949219 MB of memory in use. ENERGY: 211400 733.1857 2093.9078 1934.1569 101.5964 -206383.3769 18140.4887 0.0000 0.0000 34238.1880 -149141.8533 299.0106 -183380.0414 -149034.7679 299.7296 162.2754 196.0064 556858.4395 4.8472 4.8509 PRESSURE: 211600 -216.291 20.233 62.8669 20.2346 278.666 65.4926 62.8671 65.4931 -53.4538 GPRESSURE: 211600 -146.369 59.2189 54.4361 21.7811 260.963 95.2123 104.469 27.4986 -7.99663 PRESSAVG: 211600 -56.2641 -43.7842 61.3097 -43.7842 74.8133 -31.3205 61.3097 -31.3204 9.28763 GPRESSAVG: 211600 -56.17 -45.4695 59.7327 -45.2232 75.5349 -32.665 60.221 -31.4789 8.92204 TIMING: 211600 CPU: 632.047, 0.00298224/step Wall: 632.047, 0.00298224/step, 3.96671 hours remaining, 204.949219 MB of memory in use. ENERGY: 211600 802.1195 2068.3516 1959.2107 119.7665 -206713.5479 18142.8528 0.0000 0.0000 34543.4453 -149077.8014 301.6765 -183621.2467 -148977.6075 299.2833 2.9738 35.5325 557831.1072 9.2790 9.4290 PRESSURE: 211800 -127.811 4.45191 -17.8894 4.45071 145.12 69.836 -17.889 69.8358 -236.279 GPRESSURE: 211800 -115.922 -122.801 66.3762 219.311 143.524 94.342 12.3928 17.2857 -142.554 PRESSAVG: 211800 -33.9881 50.3698 19.9088 50.3698 100.799 12.6988 19.9088 12.6987 -56.1514 GPRESSAVG: 211800 -33.6577 51.8117 20.1551 52.7521 100.226 14.4712 21.7689 11.8851 -55.8727 TIMING: 211800 CPU: 632.647, 0.00300094/step Wall: 632.647, 0.00300094/step, 3.99141 hours remaining, 204.949219 MB of memory in use. ENERGY: 211800 744.0554 2119.6152 1951.5442 105.3335 -205974.5582 17669.5844 0.0000 0.0000 34303.6156 -149080.8098 299.5820 -183384.4254 -148983.5428 300.4076 -72.9899 -38.3174 558078.8011 3.5531 3.5651 PRESSURE: 212000 -46.2207 124.463 -18.6928 124.463 -71.9263 -28.3476 -18.6944 -28.346 -97.6861 GPRESSURE: 212000 11.9436 70.1619 2.10003 129.753 -55.2833 -47.2229 -105.99 -19.1719 -77.6537 PRESSAVG: 212000 -65.076 24.3467 -4.31808 24.3466 27.3642 49.7004 -4.3181 49.7003 11.2952 GPRESSAVG: 212000 -64.8137 24.9353 -2.35117 25.7112 28.4329 50.4195 -6.47152 49.1079 9.81366 TIMING: 212000 CPU: 633.246, 0.00299052/step Wall: 633.246, 0.00299052/step, 3.9774 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: 212000 769.9161 2097.8152 1960.1543 112.1962 -205885.6683 17640.3684 0.0000 0.0000 34434.3987 -148870.8196 300.7242 -183305.2182 -148775.1644 300.9878 -71.9444 -40.3311 558688.2617 -8.8055 -8.8557 PRESSURE: 212200 -233.661 16.2441 -174.636 16.2438 -194.38 -85.5583 -174.637 -85.5586 -70.7645 GPRESSURE: 212200 -179.834 23.799 -71.1119 19.4105 -178.792 -17.9101 -273.337 -114.531 -39.7773 PRESSAVG: 212200 -35.1923 39.6371 -47.2382 39.6371 -4.83122 49.7538 -47.2382 49.7538 40.6495 GPRESSAVG: 212200 -35.6068 38.8833 -46.9292 37.9905 -5.1931 48.9515 -49.3205 50.8988 41.6586 TIMING: 212200 CPU: 633.842, 0.0029814/step Wall: 633.842, 0.0029814/step, 3.96509 hours remaining, 204.949219 MB of memory in use. ENERGY: 212200 784.1308 2114.8746 1954.2399 117.3820 -205573.1253 17456.8770 0.0000 0.0000 34277.0864 -148868.5345 299.3503 -183145.6210 -148779.0106 301.2097 -166.2687 -132.8014 558005.3384 0.2086 0.2862 LDB: ============= START OF LOAD BALANCING ============== 637.357 LDB: ============== END OF LOAD BALANCING =============== 637.358 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 637.359 LDB: ============= START OF LOAD BALANCING ============== 637.659 LDB: Largest compute 4773 load 0.031151 is 26.4% of average load 0.117845 LDB: Average compute 0.001736 is 1.5% of average load 0.117845 LDB: TIME 637.662 LOAD: AVG 0.117845 MAX 0.2084 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.68 MB LDB: TIME 637.662 LOAD: AVG 0.117845 MAX 0.2084 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.883 MB LDB: TIME 637.662 LOAD: AVG 0.117845 MAX 0.2084 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.883 MB LDB: ============== END OF LOAD BALANCING =============== 637.664 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 637.668 PRESSURE: 212400 91.302 24.1441 11.0461 24.1433 55.8007 -78.0308 11.0443 -78.0325 329.978 GPRESSURE: 212400 115.126 -19.3143 -10.2456 4.01982 173.831 -70.3285 1.6181 -40.9026 294.082 PRESSAVG: 212400 -59.475 -25.5763 -0.245881 -25.5763 10.2505 -29.4672 -0.245805 -29.4673 37.8265 GPRESSAVG: 212400 -59.3109 -23.1355 -1.58481 -26.2013 10.9359 -29.3123 2.55131 -28.2115 37.1015 TIMING: 212400 CPU: 634.452, 0.00304978/step Wall: 634.452, 0.00304978/step, 4.05586 hours remaining, 205.007812 MB of memory in use. ENERGY: 212400 797.6093 2114.5863 1948.6755 109.0930 -206414.5566 17979.1118 0.0000 0.0000 34484.3025 -148981.1782 301.1600 -183465.4807 -148880.6426 300.2643 159.0270 194.3460 555938.0666 -3.7994 -3.7578 PRESSURE: 212600 -122.774 63.7256 -35.7431 63.7264 -30.9766 -1.51444 -35.7442 -1.51363 -246.101 GPRESSURE: 212600 -124.458 139.848 42.9887 -12.491 41.945 -51.2054 -70.6961 -0.989948 -221.459 PRESSAVG: 212600 10.7443 -0.595331 -10.6698 -0.595315 -24.2584 -68.4547 -10.6699 -68.4547 61.2898 GPRESSAVG: 212600 10.0337 -2.38518 -10.1153 -0.554447 -24.7867 -68.1971 -13.1879 -70.7363 62.9476 TIMING: 212600 CPU: 635.054, 0.00301298/step Wall: 635.054, 0.00301298/step, 4.00676 hours remaining, 205.007812 MB of memory in use. ENERGY: 212600 766.0496 2104.7343 1925.2241 109.5617 -205895.3649 17589.3110 0.0000 0.0000 34567.6883 -148832.7958 301.8882 -183400.4841 -148739.1714 301.1394 -133.2837 -101.3243 559208.9680 15.9252 16.0649 PRESSURE: 212800 -136.399 -60.0119 136.983 -60.011 -153.927 -27.6073 136.983 -27.6092 -451.501 GPRESSURE: 212800 -131.393 -51.2213 55.448 -144.404 -130.419 -107.147 141.811 23.8007 -389.722 PRESSAVG: 212800 -38.438 -6.91063 21.8942 -6.91063 118.074 1.65444 21.8941 1.65446 -95.1925 GPRESSAVG: 212800 -37.7754 -8.0935 21.9704 -6.16889 118.168 1.51265 22.83 3.29809 -96.4426 TIMING: 212800 CPU: 635.649, 0.00297299/step Wall: 635.649, 0.00297299/step, 3.95341 hours remaining, 205.007812 MB of memory in use. ENERGY: 212800 779.4239 2043.2614 1948.9092 123.3001 -205632.9009 17588.7983 0.0000 0.0000 34220.1798 -148929.0282 298.8533 -183149.2080 -148833.5624 299.8730 -247.2755 -217.1780 559248.4389 -5.1855 -5.3500 PRESSURE: 213000 101.653 76.9427 -7.72984 76.9426 -109.666 65.8727 -7.72872 65.8717 -123.751 GPRESSURE: 213000 85.3077 29.4824 34.5362 66.265 -39.9403 -22.8501 44.461 128.257 -89.6754 PRESSAVG: 213000 36.1779 36.4752 -6.76419 36.4752 -64.1635 21.0551 -6.76418 21.0551 17.1954 GPRESSAVG: 213000 36.6562 38.5943 -6.37478 36.4275 -64.677 21.295 -5.00932 18.0198 16.6992 TIMING: 213000 CPU: 636.245, 0.00297773/step Wall: 636.245, 0.00297773/step, 3.95956 hours remaining, 205.007812 MB of memory in use. ENERGY: 213000 755.1561 2023.9190 1934.2650 111.1945 -206064.6519 17795.3472 0.0000 0.0000 34440.2676 -149004.5025 300.7754 -183444.7701 -148901.9184 299.4093 -43.9214 -14.7693 557802.4205 -3.5967 -3.7739 PRESSURE: 213200 -61.0343 69.0764 -123.422 69.0757 -482.403 -21.4526 -123.422 -21.4524 -212.646 GPRESSURE: 213200 -19.4403 -28.9529 -106.175 73.2699 -405.447 -28.5461 -76.4389 117.606 -242.049 PRESSAVG: 213200 48.1325 23.4725 30.8411 23.4726 36.0884 -23.5786 30.8411 -23.5787 -38.6655 GPRESSAVG: 213200 47.6924 22.3417 31.2325 23.3032 36.8237 -24.2293 27.6303 -22.2788 -38.7043 TIMING: 213200 CPU: 636.843, 0.00299084/step Wall: 636.843, 0.00299084/step, 3.97682 hours remaining, 205.046875 MB of memory in use. ENERGY: 213200 758.7608 2050.1943 1962.8480 106.9072 -206212.6007 17787.3398 0.0000 0.0000 34357.9439 -149188.6067 300.0565 -183546.5505 -149089.1737 299.6341 -252.0277 -222.3123 559453.6178 15.1852 15.2706 PRESSURE: 213400 -172.084 -28.2035 118.793 -28.2048 173.345 2.06715 118.794 2.06862 19.8384 GPRESSURE: 213400 -98.841 -25.1313 95.9819 1.01618 182.526 32.0353 33.669 -13.0274 26.2804 PRESSAVG: 213400 -33.897 41.2718 -29.3086 41.2718 56.6377 -47.2906 -29.3086 -47.2906 -7.61523 GPRESSAVG: 213400 -33.8424 41.4194 -29.9774 39.9498 56.0879 -47.4438 -28.6851 -45.7083 -7.1992 TIMING: 213400 CPU: 637.448, 0.00302417/step Wall: 637.448, 0.00302417/step, 4.02096 hours remaining, 205.046875 MB of memory in use. ENERGY: 213400 735.2717 2114.5298 1938.6862 114.9629 -205856.9471 17748.4769 0.0000 0.0000 33990.0125 -149215.0071 296.8432 -183205.0196 -149114.3250 298.9365 7.0331 36.6553 557463.5148 5.0418 5.0154 PRESSURE: 213600 -398.626 126.361 175.857 126.361 26.5693 -194.055 175.857 -194.054 -97.6076 GPRESSURE: 213600 -335.032 143.817 134.764 140.338 61.7813 -144.257 201.32 -208.401 -90.1636 PRESSAVG: 213600 21.6393 34.8929 49.8023 34.8929 -16.8651 -25.2115 49.8024 -25.2115 -20.6745 GPRESSAVG: 213600 22.1649 33.1927 50.6963 35.2629 -16.5713 -23.235 50.8848 -27.7448 -21.6628 TIMING: 213600 CPU: 638.046, 0.0029906/step Wall: 638.046, 0.0029906/step, 3.97617 hours remaining, 205.046875 MB of memory in use. ENERGY: 213600 761.4587 2024.8288 1953.9893 108.5948 -206199.1122 17595.2475 0.0000 0.0000 34165.0812 -149589.9120 298.3722 -183754.9931 -149498.0249 297.9337 -156.5548 -121.1381 556172.5506 -5.3001 -5.3564 PRESSURE: 213800 -48.641 -2.43838 -77.435 -2.43833 -170.864 -122.137 -77.4348 -122.137 -42.3103 GPRESSURE: 213800 11.4274 -89.7618 11.8283 -4.37578 -169.268 -114.254 -130.626 -85.7982 9.06943 PRESSAVG: 213800 12.8607 11.0198 -21.033 11.0198 -0.869256 24.3644 -21.0331 24.3645 17.3194 GPRESSAVG: 213800 12.8214 12.038 -21.1929 12.7027 -1.1555 24.6388 -20.5082 27.4024 18.4254 TIMING: 213800 CPU: 638.649, 0.00301684/step Wall: 638.649, 0.00301684/step, 4.01088 hours remaining, 205.046875 MB of memory in use. ENERGY: 213800 717.0343 2067.6620 1976.3385 124.0754 -206117.6786 17706.6100 0.0000 0.0000 33919.4152 -149606.5432 296.2267 -183525.9584 -149511.3720 298.5470 -87.2717 -49.5905 558011.4017 9.7703 10.0305 PRESSURE: 214000 -33.2665 27.1339 8.4585 27.1338 -154.099 -191.098 8.45868 -191.097 -341.92 GPRESSURE: 214000 -21.028 56.2343 13.057 38.7142 -109.271 -88.2232 -39.1586 -258.932 -298.891 PRESSAVG: 214000 30.884 -13.1493 -26.8133 -13.1493 -63.3373 30.071 -26.8132 30.071 32.2065 GPRESSAVG: 214000 30.4494 -10.6945 -25.9699 -15.8733 -62.5567 30.4336 -27.2277 27.6769 32.0319 TIMING: 214000 CPU: 639.246, 0.0029864/step Wall: 639.246, 0.0029864/step, 3.97025 hours remaining, 205.046875 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: 214000 723.4904 2078.7963 1947.9973 115.5865 -206116.5878 17546.1969 0.0000 0.0000 33967.6761 -149736.8443 296.6482 -183704.5203 -149638.7933 298.1138 -176.4283 -143.0636 556754.8149 -0.0823 -0.0251 PRESSURE: 214200 -197.341 -39.2705 60.6482 -39.2705 -23.2166 -49.0211 60.6478 -49.0203 174.994 GPRESSURE: 214200 -194.66 13.6635 -54.8692 -50.2502 68.33 -89.962 48.3261 -55.5104 177.948 PRESSAVG: 214200 -41.8695 33.1704 -44.3021 33.1703 23.4803 23.1537 -44.3022 23.1536 33.0274 GPRESSAVG: 214200 -42.4966 31.7742 -46.9862 35.0628 24.6568 24.4469 -44.2413 20.7679 32.1082 TIMING: 214200 CPU: 639.848, 0.00300912/step Wall: 639.848, 0.00300912/step, 4.00029 hours remaining, 205.191406 MB of memory in use. ENERGY: 214200 730.1174 2058.4610 1969.7873 122.5891 -206360.1415 17817.8647 0.0000 0.0000 34105.9512 -149555.3709 297.8558 -183661.3221 -149460.3838 298.1316 -15.1879 17.2062 556952.9852 4.8794 4.7561 PRESSURE: 214400 -135.995 136.068 30.4925 136.067 81.7775 -40.3292 30.4938 -40.3286 55.2583 GPRESSURE: 214400 -79.246 129.219 7.85521 120.407 92.036 -82.5733 60.9831 -11.6246 85.6761 PRESSAVG: 214400 5.68304 -11.1163 -35.8134 -11.1163 25.1695 -27.8378 -35.8135 -27.8378 -5.0301 GPRESSAVG: 214400 6.79299 -12.0145 -36.9555 -11.5113 24.0064 -30.4036 -34.766 -24.3648 -5.43035 TIMING: 214400 CPU: 640.449, 0.00300276/step Wall: 640.449, 0.00300276/step, 3.99167 hours remaining, 205.191406 MB of memory in use. ENERGY: 214400 742.2417 2111.6731 1957.5125 107.9609 -206315.9917 17754.6452 0.0000 0.0000 34316.5076 -149325.4508 299.6946 -183641.9584 -149226.0846 299.1031 0.3471 32.8220 557418.1961 8.6075 8.4563 PRESSURE: 214600 -147.124 86.3158 -99.7577 86.3155 -260.025 -125.699 -99.7583 -125.698 -50.8636 GPRESSURE: 214600 -120.878 68.1809 -85.3295 141.277 -241.129 -125.71 -50.0176 -155.168 11.2555 PRESSAVG: 214600 7.16101 22.451 -81.7794 22.451 3.40016 -29.7643 -81.7795 -29.7644 -32.2818 GPRESSAVG: 214600 8.11643 22.6765 -80.4454 23.5143 1.33364 -28.9945 -81.9455 -29.6448 -31.1592 TIMING: 214600 CPU: 641.048, 0.00299719/step Wall: 641.048, 0.00299719/step, 3.9841 hours remaining, 205.191406 MB of memory in use. ENERGY: 214600 746.3758 2080.2156 1952.4289 108.8029 -205952.5467 17498.7991 0.0000 0.0000 34216.5341 -149349.3904 298.8215 -183565.9244 -149256.4720 299.2050 -152.6709 -116.9170 556734.9797 -7.2402 -7.2364 PRESSURE: 214800 -14.8134 -114.605 88.6649 -114.606 -62.1685 -107.077 88.6651 -107.076 -103.949 GPRESSURE: 214800 -13.6665 -195.001 65.009 -77.1976 49.3798 -89.633 115.748 -134.16 -140.45 PRESSAVG: 214800 -7.4549 55.5216 -15.7756 55.5217 90.7429 -27.4271 -15.7757 -27.4271 -30.3696 GPRESSAVG: 214800 -8.5137 55.8319 -16.8312 52.273 91.09 -28.8198 -15.7811 -26.1174 -29.5241 TIMING: 214800 CPU: 641.646, 0.00298798/step Wall: 641.646, 0.00298798/step, 3.9717 hours remaining, 205.191406 MB of memory in use. ENERGY: 214800 754.2472 2051.6558 1978.2690 109.0233 -206297.5979 17743.3495 0.0000 0.0000 34160.3048 -149500.7484 298.3304 -183661.0532 -149404.5157 299.1766 -60.3104 -34.9122 555921.8639 17.6395 17.6841 PRESSURE: 215000 90.8595 104.409 -46.849 104.409 -111.289 32.54 -46.8498 32.5415 -0.428115 GPRESSURE: 215000 107.641 89.9197 26.4787 46.2776 -78.0778 39.3289 -112.551 56.6691 39.0578 PRESSAVG: 215000 26.7406 66.3056 1.64727 66.3055 8.114 16.243 1.64722 16.243 12.5031 GPRESSAVG: 215000 26.6251 65.3017 4.54837 69.0157 9.33096 17.1197 1.10267 15.4971 10.6019 TIMING: 215000 CPU: 642.24, 0.00297311/step Wall: 642.24, 0.00297311/step, 3.95176 hours remaining, 205.191406 MB of memory in use. ENERGY: 215000 737.4284 2078.1749 1941.2455 103.7485 -205863.1184 17678.9068 0.0000 0.0000 33936.7342 -149386.8800 296.3779 -183323.6142 -149305.8860 298.2908 -6.9526 22.8736 556486.9583 15.7859 15.5193 PRESSURE: 215200 -113.77 -130.769 -55.5453 -130.769 122.298 207.045 -55.5457 207.046 148.135 GPRESSURE: 215200 -72.9545 -180.998 -114.402 -83.4047 207.422 233.278 -23.9273 140.155 119.79 PRESSAVG: 215200 -42.1666 -19.7748 -24.3299 -19.7748 28.6823 49.5642 -24.3299 49.5642 4.21841 GPRESSAVG: 215200 -43.8167 -18.6386 -25.9345 -19.5992 28.1254 51.3625 -24.365 51.0566 6.23349 TIMING: 215200 CPU: 642.836, 0.00298039/step Wall: 642.836, 0.00298039/step, 3.96127 hours remaining, 205.191406 MB of memory in use. ENERGY: 215200 698.5641 2026.6069 1947.3816 110.7640 -205988.1859 17664.5337 0.0000 0.0000 34272.5754 -149267.7603 299.3109 -183540.3357 -149166.6455 298.8903 52.2211 84.7524 555675.3622 -3.0886 -3.1526 PRESSURE: 215400 -188.24 68.7626 -152.39 68.7618 253.931 39.5802 -152.388 39.5803 69.2578 GPRESSURE: 215400 -166.488 59.669 -69.3816 85.4496 273.774 69.9629 -147.361 60.1091 122.701 PRESSAVG: 215400 -34.0487 4.38165 -22.8205 4.38159 28.3789 8.31363 -22.8204 8.31359 43.5556 GPRESSAVG: 215400 -32.9667 3.96825 -22.859 1.99717 27.8525 7.28043 -22.293 5.66285 43.3964 TIMING: 215400 CPU: 643.431, 0.00297402/step Wall: 643.431, 0.00297402/step, 3.95264 hours remaining, 205.191406 MB of memory in use. ENERGY: 215400 722.5695 2045.3032 1922.3196 119.9249 -206294.3372 17778.2395 0.0000 0.0000 34147.7549 -149558.2255 298.2208 -183705.9803 -149466.4003 298.4811 44.9831 76.6623 556502.1127 12.6286 12.7607 PRESSURE: 215600 -279.256 139.934 128.564 139.934 -255.505 140.992 128.564 140.991 -243.527 GPRESSURE: 215600 -247.135 171.15 6.15881 65.282 -225.531 109.548 140.819 172.519 -201.226 PRESSAVG: 215600 -51.3705 -7.44273 68.4614 -7.44284 39.2775 3.21362 68.4613 3.21358 66.0427 GPRESSAVG: 215600 -50.0277 -6.19618 67.5002 -6.15991 40.0718 2.75167 68.8364 4.04445 63.7246 TIMING: 215600 CPU: 644.029, 0.00298657/step Wall: 644.029, 0.00298657/step, 3.96915 hours remaining, 205.191406 MB of memory in use. ENERGY: 215600 703.4560 2053.7630 1963.7862 119.5901 -205916.8297 17462.6573 0.0000 0.0000 34153.7123 -149459.8648 298.2729 -183613.5771 -149360.2409 298.7130 -259.4294 -224.6308 558027.2551 17.9833 17.9229 PRESSURE: 215800 -2.53337 2.5285 -13.8513 2.52841 -69.478 -30.1226 -13.8513 -30.1235 -73.5804 GPRESSURE: 215800 45.8362 39.402 -1.78607 -22.3683 -69.8946 58.1345 -52.1922 62.7173 -26.5125 PRESSAVG: 215800 -10.3671 1.40553 -5.63525 1.4055 -10.9823 -0.86657 -5.63526 -0.866653 7.81206 GPRESSAVG: 215800 -12.1857 0.209673 -5.75569 2.67841 -10.4317 -1.83967 -6.16277 1.15476 8.95391 TIMING: 215800 CPU: 644.623, 0.00297407/step Wall: 644.623, 0.00297407/step, 3.95237 hours remaining, 205.191406 MB of memory in use. ENERGY: 215800 717.2957 2120.4801 1953.9638 114.0169 -206360.4516 17945.1566 0.0000 0.0000 34203.4056 -149306.1329 298.7068 -183509.5385 -149214.4094 298.5152 -48.5306 -16.8570 557444.5611 -4.5124 -4.5545 PRESSURE: 216000 -264.118 31.4482 64.648 31.447 -125.225 20.5568 64.6477 20.5572 -175.51 GPRESSURE: 216000 -265.121 103.914 84.2007 54.7624 -87.9883 30.1969 92.8464 -50.2106 -109.054 PRESSAVG: 216000 6.45777 12.3805 24.6577 12.3804 -8.94682 5.67501 24.6577 5.67499 16.1051 GPRESSAVG: 216000 7.00352 14.5568 27.5294 12.8066 -9.02821 7.26262 24.1101 4.76901 16.1578 TIMING: 216000 CPU: 645.221, 0.00298723/step Wall: 645.221, 0.00298723/step, 3.9697 hours remaining, 205.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 216000 740.5311 2116.5462 1950.9359 109.4545 -205854.6055 17471.1254 0.0000 0.0000 34228.3279 -149237.6845 298.9245 -183466.0124 -149145.4596 299.4578 -188.2843 -154.0544 558605.1602 4.5387 4.7110 PRESSURE: 216200 48.6944 188.326 74.248 188.325 -322.111 69.6861 74.2478 69.6858 -174.501 GPRESSURE: 216200 73.4417 245.961 36.4345 68.4847 -266.955 69.9546 119.966 -34.0047 -147.69 PRESSAVG: 216200 -41.3766 -1.43324 40.4556 -1.43316 -2.81568 15.1634 40.4557 15.1633 28.2792 GPRESSAVG: 216200 -41.8445 -1.94671 39.573 -3.33994 -2.92719 14.2545 40.9213 13.1445 28.9267 TIMING: 216200 CPU: 645.816, 0.00297486/step Wall: 645.816, 0.00297486/step, 3.95309 hours remaining, 205.191406 MB of memory in use. ENERGY: 216200 804.6176 2115.0798 1959.4681 114.1535 -206200.5375 17859.8544 0.0000 0.0000 34070.9910 -149276.3730 297.5504 -183347.3641 -149191.3023 298.4000 -149.3058 -113.7343 557658.7534 -5.3044 -5.2817 LDB: ============= START OF LOAD BALANCING ============== 649.329 LDB: ============== END OF LOAD BALANCING =============== 649.329 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 649.331 LDB: ============= START OF LOAD BALANCING ============== 649.629 LDB: Largest compute 4773 load 0.029958 is 25.4% of average load 0.117805 LDB: Average compute 0.001729 is 1.5% of average load 0.117805 LDB: TIME 649.632 LOAD: AVG 0.117805 MAX 0.209008 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.949 MB LDB: TIME 649.632 LOAD: AVG 0.117805 MAX 0.209008 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.152 MB LDB: TIME 649.632 LOAD: AVG 0.117805 MAX 0.209008 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.152 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 649.634 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 649.639 PRESSURE: 216400 -40.1468 -98.1049 -2.39439 -98.1036 238.44 8.91269 -2.39365 8.91341 -4.68838 GPRESSURE: 216400 -16.7782 -108.646 -67.0408 -19.6156 190.688 -9.37667 11.7323 -38.7704 116.863 PRESSAVG: 216400 -32.9459 -25.8327 14.5226 -25.8327 -9.28493 40.0896 14.5226 40.0896 18.1646 GPRESSAVG: 216400 -33.0952 -27.2186 14.8156 -22.5919 -10.3874 39.6816 12.1594 42.2606 19.612 TIMING: 216400 CPU: 646.422, 0.00303201/step Wall: 646.422, 0.00303201/step, 4.02886 hours remaining, 205.902344 MB of memory in use. ENERGY: 216400 711.1354 2042.8779 1948.3731 121.5173 -206578.7448 18030.0762 0.0000 0.0000 34199.8232 -149524.9416 298.6756 -183724.7649 -149421.0547 297.8352 64.5349 96.9245 556208.5439 -8.0221 -7.9569 PRESSURE: 216600 124.077 -118.157 -82.1429 -118.157 114.853 -35.3126 -82.1436 -35.3111 237.795 GPRESSURE: 216600 151.27 -117.634 -100.081 -16.3445 153.161 50.549 -65.0397 -65.0581 267.516 PRESSAVG: 216600 -56.1159 -34.8481 -38.2182 -34.8481 7.21718 -26.09 -38.2182 -26.0899 43.9845 GPRESSAVG: 216600 -55.7253 -34.1957 -36.8882 -36.6955 7.98864 -26.4992 -35.7795 -27.1027 42.9227 TIMING: 216600 CPU: 647.018, 0.00297999/step Wall: 647.018, 0.00297999/step, 3.95958 hours remaining, 206.105469 MB of memory in use. ENERGY: 216600 745.7648 2092.1066 1951.1395 106.2187 -206837.1932 18095.3856 0.0000 0.0000 34331.3246 -149515.2534 299.8240 -183846.5780 -149424.3984 298.6352 158.9083 190.6492 556806.2241 -1.6381 -1.6047 PRESSURE: 216800 -270.889 -28.0367 120.384 -28.0365 124.232 -40.0671 120.383 -40.0666 33.5884 GPRESSURE: 216800 -210.161 -35.5593 136.83 35.7092 125.342 -10.4284 126.752 -74.5628 65.5837 PRESSAVG: 216800 -19.863 -6.90939 -21.5 -6.90941 3.88806 11.1858 -21.4999 11.1859 41.1573 GPRESSAVG: 216800 -19.4408 -5.93447 -24.7656 -6.69235 5.90832 10.8748 -20.7235 10.7919 39.0271 TIMING: 216800 CPU: 647.615, 0.00298214/step Wall: 647.615, 0.00298214/step, 3.96227 hours remaining, 206.105469 MB of memory in use. ENERGY: 216800 766.7021 2060.6039 1947.0469 106.9691 -206537.3612 17836.2100 0.0000 0.0000 34150.6993 -149669.1299 298.2466 -183819.8291 -149572.9564 297.8035 -37.6894 -6.4117 557711.9613 8.3941 8.4982 PRESSURE: 217000 115.908 -100.324 -76.0725 -100.323 132.343 -119.341 -76.0724 -119.341 100.336 GPRESSURE: 217000 154.153 -121.586 -44.4647 -33.7802 166.765 -189.22 -146.577 -66.983 132.395 PRESSAVG: 217000 -44.8861 14.862 -15.0793 14.862 -24.638 -3.37331 -15.0794 -3.3734 65.5121 GPRESSAVG: 217000 -44.7978 14.0895 -15.2535 15.8901 -26.2821 -1.63298 -14.7867 -3.30812 66.9319 TIMING: 217000 CPU: 648.205, 0.00295431/step Wall: 648.205, 0.00295431/step, 3.92512 hours remaining, 206.144531 MB of memory in use. ENERGY: 217000 752.3675 2087.9801 1956.5615 113.9757 -206838.4293 17980.2921 0.0000 0.0000 34177.5141 -149769.7383 298.4807 -183947.2524 -149676.9059 298.4022 116.1959 151.1042 554104.3343 -1.3373 -1.3827 PRESSURE: 217200 -65.2253 -80.5612 -20.5801 -80.5605 -195.719 -110.86 -20.5788 -110.86 -24.1498 GPRESSURE: 217200 -2.90072 -113.408 -92.9747 -86.0444 -200.299 -188.896 56.2428 3.88108 14.0517 PRESSAVG: 217200 0.00616248 26.4338 -49.5432 26.4338 -43.8443 -45.5453 -49.5432 -45.5454 76.895 GPRESSAVG: 217200 0.118448 26.8238 -49.1071 24.6015 -42.5814 -46.8395 -50.3684 -45.1718 76.1962 TIMING: 217200 CPU: 648.798, 0.00296267/step Wall: 648.798, 0.00296267/step, 3.93607 hours remaining, 206.347656 MB of memory in use. ENERGY: 217200 757.2736 2128.3525 1944.7390 113.4249 -206388.1596 17752.9931 0.0000 0.0000 33877.1954 -149814.1811 295.8580 -183691.3765 -149722.0697 297.5284 -95.0314 -63.0494 556133.5587 11.0190 11.2444 PRESSURE: 217400 198.41 51.6927 154.027 51.6926 189.661 43.3347 154.027 43.3342 211.571 GPRESSURE: 217400 217.288 54.0837 127.633 116.766 179.651 -1.29211 130.3 108.756 305.023 PRESSAVG: 217400 -49.3373 -6.88736 6.45701 -6.88733 40.7851 3.30045 6.45707 3.30044 17.8385 GPRESSAVG: 217400 -50.1919 -6.68682 6.88347 -5.70556 40.1007 5.49007 5.92107 4.19919 18.7355 TIMING: 217400 CPU: 649.391, 0.00296685/step Wall: 649.391, 0.00296685/step, 3.94146 hours remaining, 206.347656 MB of memory in use. ENERGY: 217400 724.8226 2072.0307 1938.7691 109.2766 -207382.0091 18350.0812 0.0000 0.0000 34377.1759 -149809.8530 300.2244 -184187.0289 -149711.9067 298.0915 199.8807 233.9876 557633.5309 3.0954 2.8814 PRESSURE: 217600 -225.727 -8.05639 -40.0487 -8.05545 -175.121 40.6338 -40.0475 40.6322 -58.3544 GPRESSURE: 217600 -190.713 92.8336 -145.689 -161.024 -156.385 12.8457 -8.5782 59.2081 3.38976 PRESSAVG: 217600 38.7221 6.9946 11.7957 6.99469 22.4452 0.552209 11.7957 0.552205 -27.0897 GPRESSAVG: 217600 39.7839 6.57374 10.4723 5.55369 22.6801 -0.96009 12.5301 1.14723 -28.1842 TIMING: 217600 CPU: 649.988, 0.00298111/step Wall: 649.988, 0.00298111/step, 3.96024 hours remaining, 206.347656 MB of memory in use. ENERGY: 217600 754.7889 2011.3583 1963.8120 116.3144 -206646.6523 17720.9264 0.0000 0.0000 34165.7363 -149913.7160 298.3779 -184079.4523 -149816.7080 298.1896 -153.0676 -114.5695 556832.5035 11.3592 11.4266 PRESSURE: 217800 -15.8812 -107.049 90.2576 -107.048 -122.19 -4.21969 90.2595 -4.21723 -144.525 GPRESSURE: 217800 53.7358 -68.9345 133.997 -119.928 -116.915 17.2023 14.1806 22.7542 -127.632 PRESSAVG: 217800 -64.6582 4.24798 -37.1751 4.24793 5.62129 -1.06405 -37.1751 -1.06405 31.4939 GPRESSAVG: 217800 -64.836 3.57833 -36.4494 5.25114 5.1314 -0.67427 -36.8522 -3.61071 31.554 TIMING: 217800 CPU: 650.586, 0.00299265/step Wall: 650.586, 0.00299265/step, 3.9754 hours remaining, 206.347656 MB of memory in use. ENERGY: 217800 755.4453 2091.4328 1951.1544 104.7061 -206643.4087 17689.0450 0.0000 0.0000 34181.0171 -149870.6080 298.5113 -184051.6251 -149770.4779 297.8639 -94.1986 -63.6036 557857.7848 -9.1810 -9.3835 PRESSURE: 218000 -125.571 -114.469 120.783 -114.471 -256.75 51.0253 120.781 51.0232 -88.1571 GPRESSURE: 218000 -133.24 -81.8962 169.149 -170.147 -234.332 170.663 120.667 45.2799 -9.68921 PRESSAVG: 218000 -45.4156 1.66945 12.4924 1.66955 60.7867 20.8401 12.4923 20.8399 -3.03733 GPRESSAVG: 218000 -47.0531 1.46736 14.1503 1.68067 61.3689 22.9238 11.2111 21.3322 -1.63584 TIMING: 218000 CPU: 651.187, 0.00300216/step Wall: 651.187, 0.00300216/step, 3.98788 hours remaining, 206.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 218000 751.8246 2169.4166 1953.5961 98.0596 -206653.0774 17776.1220 0.0000 0.0000 34186.5816 -149717.4770 298.5599 -183904.0586 -149623.2830 297.9435 -156.8260 -125.7538 557835.0604 4.1113 4.2267 PRESSURE: 218200 -136.631 -292.934 -2.36805 -292.932 55.1494 24.2492 -2.36723 24.2494 224.125 GPRESSURE: 218200 -104.423 -211.524 -59.386 -301.789 59.1781 -51.8865 47.5914 33.1723 295.278 PRESSAVG: 218200 -53.3361 -58.3379 -32.3875 -58.3378 10.4482 28.1753 -32.3876 28.1753 5.77203 GPRESSAVG: 218200 -51.7764 -55.8105 -33.2566 -60.2961 10.534 26.6436 -32.4498 29.5294 4.34288 TIMING: 218200 CPU: 651.785, 0.00299038/step Wall: 651.785, 0.00299038/step, 3.97205 hours remaining, 206.347656 MB of memory in use. ENERGY: 218200 732.1114 2052.5152 1938.6239 98.5759 -206820.3342 18160.5335 0.0000 0.0000 34256.1033 -149581.8709 299.1671 -183837.9742 -149484.0491 298.0458 47.5478 83.3443 556741.7504 -12.3719 -12.2998 PRESSURE: 218400 -155.519 -6.60894 -60.2601 -6.60935 -314.465 107.417 -60.2593 107.418 -121.099 GPRESSURE: 218400 -167.051 -45.7032 -59.738 102.089 -221.909 102.599 60.497 100.894 -106.689 PRESSAVG: 218400 22.1786 26.7631 -5.06087 26.7631 -10.983 9.82309 -5.06091 9.82321 40.3175 GPRESSAVG: 218400 22.192 21.7234 -4.29557 31.3181 -11.0073 11.7513 -5.03313 7.01135 40.6255 TIMING: 218400 CPU: 652.381, 0.00298379/step Wall: 652.381, 0.00298379/step, 3.96313 hours remaining, 206.347656 MB of memory in use. ENERGY: 218400 782.3270 2086.7237 1950.5510 99.8686 -206603.6515 17885.4408 0.0000 0.0000 34310.0576 -149488.6828 299.6383 -183798.7405 -149397.0108 298.2610 -197.0275 -165.2162 557149.2222 17.1710 17.2701 PRESSURE: 218600 70.5413 177.948 -115.94 177.948 4.85802 77.1111 -115.941 77.1095 -175.858 GPRESSURE: 218600 48.1973 189.012 -130.209 152.507 99.0588 135.412 -155.809 95.5975 -149.378 PRESSAVG: 218600 -27.5888 37.6114 -48.2271 37.6115 3.46104 -51.3912 -48.2272 -51.3912 -41.7401 GPRESSAVG: 218600 -28.553 40.2482 -47.6707 34.7533 3.42436 -52.7828 -48.1799 -51.7861 -40.9265 TIMING: 218600 CPU: 652.986, 0.00302417/step Wall: 652.986, 0.00302417/step, 4.0166 hours remaining, 206.347656 MB of memory in use. ENERGY: 218600 745.7315 2102.7514 1926.4542 101.0152 -206366.7702 17850.5922 0.0000 0.0000 34067.2872 -149572.9386 297.5181 -183640.2257 -149472.7250 298.1589 -33.4863 -0.7072 557323.3658 -21.9559 -22.0184 PRESSURE: 218800 18.4331 20.0871 31.3114 20.0873 40.2759 25.4273 31.3104 25.4284 -289.054 GPRESSURE: 218800 75.3353 33.773 6.54638 9.42519 32.0739 33.9235 50.2283 5.08036 -242.373 PRESSAVG: 218800 -14.8131 21.0611 37.4413 21.0611 23.1564 25.2418 37.4414 25.2417 2.11835 GPRESSAVG: 218800 -13.5512 21.8044 36.732 21.9744 22.0649 25.1539 37.8335 28.2257 1.90181 TIMING: 218800 CPU: 653.587, 0.0030037/step Wall: 653.587, 0.0030037/step, 3.98924 hours remaining, 206.347656 MB of memory in use. ENERGY: 218800 756.7041 2121.9094 1935.4465 110.9738 -206337.4080 17722.9597 0.0000 0.0000 34210.0241 -149479.3904 298.7646 -183689.4144 -149380.8840 298.4181 -76.7815 -44.9878 557420.2479 3.4872 3.4718 PRESSURE: 219000 -176.717 101.443 -34.2081 101.442 -231.888 -33.9314 -34.207 -33.9298 -113.022 GPRESSURE: 219000 -135.181 112.077 -34.0094 105.589 -224.071 -44.037 -39.2867 -119.397 -74.9653 PRESSAVG: 219000 7.3394 3.72365 -17.6781 3.7237 15.8375 23.3715 -17.6779 23.3716 -8.25673 GPRESSAVG: 219000 6.7401 2.60139 -16.1802 3.83575 15.472 23.9637 -17.893 22.3705 -7.51703 TIMING: 219000 CPU: 654.183, 0.00297877/step Wall: 654.183, 0.00297877/step, 3.95597 hours remaining, 206.347656 MB of memory in use. ENERGY: 219000 748.2899 2127.4335 1921.7251 101.4519 -206052.6231 17622.7894 0.0000 0.0000 34138.8682 -149392.0650 298.1432 -183530.9332 -149296.4262 298.4233 -173.8757 -144.7389 557267.9785 4.9734 4.8984 PRESSURE: 219200 -365.762 -33.7146 54.5705 -33.7166 -327.414 61.9398 54.5698 61.9394 -171.358 GPRESSURE: 219200 -307.344 -86.3359 -3.56385 -60.0389 -281.152 88.7983 129.174 6.71058 -173.045 PRESSAVG: 219200 -29.8017 -56.388 -3.54505 -56.3879 -19.2667 26.0392 -3.54498 26.0392 62.47 GPRESSAVG: 219200 -30.0789 -54.9335 -4.38572 -58.1571 -18.2359 26.4643 -3.71815 27.3534 61.0463 TIMING: 219200 CPU: 654.773, 0.00295347/step Wall: 654.773, 0.00295347/step, 3.9222 hours remaining, 206.347656 MB of memory in use. ENERGY: 219200 732.1233 2094.9779 1952.3974 98.8277 -205999.7805 17399.5249 0.0000 0.0000 34411.1474 -149310.7819 300.5211 -183721.9293 -149212.5046 299.0980 -288.1780 -253.8472 557173.6912 4.4672 4.2439 PRESSURE: 219400 295.675 18.6567 -240.891 18.6568 156.246 9.29955 -240.892 9.30061 -60.8382 GPRESSURE: 219400 303.112 18.0258 -294.273 -71.8398 196.428 30.3704 -152.176 -25.6488 -15.8143 PRESSAVG: 219400 -10.1828 11.1661 6.97022 11.166 -29.6812 35.937 6.97021 35.9371 31.585 GPRESSAVG: 219400 -10.73 12.5238 6.84025 12.3341 -29.3056 34.7187 6.91544 34.122 31.4426 TIMING: 219400 CPU: 655.369, 0.00297546/step Wall: 655.369, 0.00297546/step, 3.95125 hours remaining, 206.347656 MB of memory in use. ENERGY: 219400 720.5484 2090.8610 1964.9074 110.7238 -206783.0335 18128.7641 0.0000 0.0000 34441.2024 -149326.0263 300.7836 -183767.2287 -149230.4832 298.4712 130.3609 161.2419 558160.2460 -2.7597 -2.8643 PRESSURE: 219600 5.34045 5.62311 193.18 5.62334 -386.166 -24.6747 193.181 -24.6753 148.997 GPRESSURE: 219600 46.9297 -5.26679 169.065 7.77954 -375.577 63.6733 178.462 -73.0935 187.618 PRESSAVG: 219600 -11.7332 22.6323 28.9361 22.6323 -38.5185 -23.8421 28.9361 -23.8422 26.5224 GPRESSAVG: 219600 -11.215 20.0597 27.3669 22.7679 -39.0961 -22.6091 28.5758 -23.488 26.4336 TIMING: 219600 CPU: 655.969, 0.00300262/step Wall: 655.969, 0.00300262/step, 3.98715 hours remaining, 206.347656 MB of memory in use. ENERGY: 219600 769.7920 2040.1504 1960.9072 111.0659 -206283.0769 17725.0261 0.0000 0.0000 34274.6441 -149401.4911 299.3290 -183676.1352 -149302.3633 298.6147 -77.2762 -47.0100 557277.5780 -7.9098 -7.9592 PRESSURE: 219800 193.074 64.2074 110.594 64.2067 128.322 5.33813 110.594 5.33957 60.723 GPRESSURE: 219800 268.183 110.824 103.5 107.631 128.884 -4.67095 175.718 8.36054 82.4376 PRESSAVG: 219800 67.0706 -0.63157 43.8653 -0.631628 -50.642 -0.142051 43.8653 -0.142056 -7.27223 GPRESSAVG: 219800 66.7057 0.41506 46.7909 -1.79395 -50.2808 -2.67849 41.7184 0.318854 -6.72516 TIMING: 219800 CPU: 656.567, 0.00298846/step Wall: 656.567, 0.00298846/step, 3.96817 hours remaining, 206.347656 MB of memory in use. ENERGY: 219800 768.2911 2090.0828 1970.8086 111.3365 -206445.5238 18046.8896 0.0000 0.0000 34169.8480 -149288.2673 298.4138 -183458.1153 -149198.2671 299.0953 127.3728 159.8348 557432.0151 3.0521 3.2332 PRESSURE: 220000 -93.6279 -13.4376 -84.417 -13.4376 262.806 23.8433 -84.4174 23.8429 84.2037 GPRESSURE: 220000 -106.103 -17.3207 -84.8573 -22.7383 315.263 -79.696 -54.9934 121.497 142.279 PRESSAVG: 220000 -20.0818 32.3379 -51.6945 32.3379 24.5614 -13.848 -51.6945 -13.848 0.867895 GPRESSAVG: 220000 -18.9077 31.335 -53.271 36.2314 24.6736 -13.6572 -50.9305 -15.7315 -0.658056 TIMING: 220000 CPU: 657.159, 0.00296271/step Wall: 657.159, 0.00296271/step, 3.93382 hours remaining, 206.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 220000 720.4656 2160.5903 1949.7614 108.6674 -206291.7941 17823.2755 0.0000 0.0000 34239.2670 -149289.7668 299.0200 -183529.0338 -149201.2653 298.9486 84.4607 117.1462 557475.6745 1.7825 1.7026 PRESSURE: 220200 -113.423 50.0932 16.7592 50.0918 -17.6074 -110.955 16.7596 -110.954 -162.235 GPRESSURE: 220200 -89.971 73.7907 26.2751 47.6245 45.2217 -51.9699 -18.0505 -153.764 -148.4 PRESSAVG: 220200 -31.1287 55.3016 -58.5008 55.3017 81.9657 -45.428 -58.5009 -45.428 -84.0774 GPRESSAVG: 220200 -32.6505 55.603 -57.0551 52.9845 81.5135 -44.4844 -60.2571 -44.0169 -82.3893 TIMING: 220200 CPU: 657.756, 0.00298435/step Wall: 657.756, 0.00298435/step, 3.96239 hours remaining, 206.347656 MB of memory in use. ENERGY: 220200 760.1980 2092.0488 1945.9533 104.9170 -206013.3543 17639.7224 0.0000 0.0000 34320.3770 -149150.1379 299.7284 -183470.5149 -149059.8343 299.4552 -97.7552 -64.3831 558437.4962 -11.0801 -11.1754 LDB: ============= START OF LOAD BALANCING ============== 661.272 LDB: ============== END OF LOAD BALANCING =============== 661.272 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 661.273 LDB: ============= START OF LOAD BALANCING ============== 661.573 LDB: Largest compute 4773 load 0.030636 is 26.0% of average load 0.117811 LDB: Average compute 0.001730 is 1.5% of average load 0.117811 LDB: TIME 661.576 LOAD: AVG 0.117811 MAX 0.209833 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.844 MB LDB: TIME 661.576 LOAD: AVG 0.117811 MAX 0.209833 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.047 MB LDB: TIME 661.576 LOAD: AVG 0.117811 MAX 0.209833 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.047 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 661.578 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 661.582 PRESSURE: 220400 75.6936 14.9001 -95.7013 14.9008 -235.7 -65.6229 -95.7014 -65.6217 86.4985 GPRESSURE: 220400 76.891 7.39464 -72.077 -36.5776 -191.916 -13.7149 -77.3193 -70.8828 143.619 PRESSAVG: 220400 -63.8236 22.8815 19.8493 22.8815 54.286 14.6499 19.8492 14.65 8.31352 GPRESSAVG: 220400 -63.3251 23.9852 19.6966 21.4634 55.3898 15.5485 21.5802 13.1822 7.19385 TIMING: 220400 CPU: 658.366, 0.00304684/step Wall: 658.366, 0.00304684/step, 4.04518 hours remaining, 206.558594 MB of memory in use. ENERGY: 220400 757.9865 2106.9675 1981.1565 110.8779 -206251.6518 17871.1784 0.0000 0.0000 34221.3159 -149202.1691 298.8633 -183423.4850 -149104.6478 299.6311 -24.5027 9.5315 558159.1499 -0.4080 -0.2471 PRESSURE: 220600 -75.0728 -153.657 118.509 -153.657 -75.0004 57.2326 118.508 57.233 275.052 GPRESSURE: 220600 -29.9362 -167.311 117.927 -153.009 -25.6667 109.783 237.211 33.2358 281.23 PRESSAVG: 220600 -58.7371 16.1027 0.76288 16.1028 -2.7621 -49.6832 0.762919 -49.6832 113.599 GPRESSAVG: 220600 -57.76 14.0438 -0.211875 16.0607 -4.39843 -48.0305 0.401879 -48.8454 113.962 TIMING: 220600 CPU: 658.96, 0.00297115/step Wall: 658.96, 0.00297115/step, 3.94454 hours remaining, 206.558594 MB of memory in use. ENERGY: 220600 698.5377 2076.8047 1951.0211 120.6981 -205943.8959 17730.0607 0.0000 0.0000 34296.5149 -149070.2587 299.5200 -183366.7736 -148979.0231 299.2644 41.6596 75.2089 558180.3964 17.3667 17.2678 PRESSURE: 220800 16.0955 -34.4871 -119.848 -34.4862 162.509 -35.0164 -119.848 -35.0173 29.9619 GPRESSURE: 220800 108.566 -98.5573 -156.084 2.65733 166.12 -28.6703 -75.184 7.77846 20.7063 PRESSAVG: 220800 -20.6373 7.16389 -55.7493 7.16383 -17.9737 -69.6592 -55.7494 -69.6592 41.9741 GPRESSAVG: 220800 -20.5956 8.76296 -56.0796 7.19536 -17.9117 -72.3061 -55.0947 -69.6608 41.8024 TIMING: 220800 CPU: 659.565, 0.00302602/step Wall: 659.565, 0.00302602/step, 4.0172 hours remaining, 206.558594 MB of memory in use. ENERGY: 220800 719.5362 2051.0775 1950.6908 110.1555 -206067.5730 17850.2589 0.0000 0.0000 34415.4204 -148970.4336 300.5584 -183385.8540 -148869.7523 300.0351 69.5222 98.4643 559112.3416 1.1211 1.0983 PRESSURE: 221000 28.348 -2.77172 76.6143 -2.77079 4.83423 53.5367 76.6145 53.5365 -380.487 GPRESSURE: 221000 57.5621 2.05525 133.313 12.1799 27.9737 30.462 112.22 55.1864 -325.23 PRESSAVG: 221000 -18.0764 66.8951 -42.186 66.8951 28.7629 -6.98011 -42.1861 -6.98003 24.2462 GPRESSAVG: 221000 -18.7058 65.8633 -42.4214 70.0189 29.1307 -5.33647 -40.6891 -6.003 23.8979 TIMING: 221000 CPU: 660.166, 0.0030062/step Wall: 660.166, 0.0030062/step, 3.99072 hours remaining, 206.558594 MB of memory in use. ENERGY: 221000 735.8438 2126.3886 1964.6055 112.0753 -206129.8859 17841.4250 0.0000 0.0000 34361.9206 -148987.6271 300.0912 -183349.5476 -148888.5933 300.5348 -115.7682 -79.8979 559022.9261 11.6443 11.4409 PRESSURE: 221200 80.4246 -60.6714 -115.68 -60.6713 111.283 -31.4694 -115.68 -31.4691 87.4427 GPRESSURE: 221200 69.5017 -45.7905 -66.5768 -103.485 167.903 26.4679 -209.26 -28.4451 146.906 PRESSAVG: 221200 -56.4065 47.7104 -46.7663 47.7104 14.0286 25.8997 -46.7663 25.8998 17.9292 GPRESSAVG: 221200 -57.1831 48.3251 -46.6129 44.8049 14.0283 26.824 -49.5509 25.4581 18.5524 TIMING: 221200 CPU: 660.765, 0.00299485/step Wall: 660.765, 0.00299485/step, 3.9755 hours remaining, 206.558594 MB of memory in use. ENERGY: 221200 794.1748 2096.7639 1928.3843 117.4762 -206303.7420 18163.4216 0.0000 0.0000 34251.0620 -148952.4592 299.1230 -183203.5212 -148865.0161 300.1626 93.0501 128.1034 558367.5286 -8.1496 -8.2008 PRESSURE: 221400 -110.335 28.9886 36.0408 28.9882 -150.864 -154.778 36.0404 -154.776 -90.8117 GPRESSURE: 221400 -97.7089 -39.7371 -14.6134 74.7133 -115.402 -147.44 51.891 -104.243 -38.6489 PRESSAVG: 221400 45.7508 -10.8809 -11.653 -10.881 6.70273 8.64497 -11.6531 8.64516 -33.387 GPRESSAVG: 221400 46.7727 -10.908 -11.7874 -9.412 6.62401 7.5487 -9.16351 7.98034 -34.3354 TIMING: 221400 CPU: 661.359, 0.00297156/step Wall: 661.359, 0.00297156/step, 3.94442 hours remaining, 206.558594 MB of memory in use. ENERGY: 221400 777.7319 2126.9296 1944.9012 117.6799 -206003.3908 17645.3179 0.0000 0.0000 34388.7521 -149002.0782 300.3255 -183390.8303 -148915.6464 300.0716 -117.3371 -83.9198 557322.3606 6.3555 6.3538 PRESSURE: 221600 -3.43441 24.9033 -149.761 24.9014 -96.2973 91.1605 -149.76 91.1606 149.324 GPRESSURE: 221600 45.706 52.6252 -110.052 21.2709 -109.212 102.444 -215.681 44.3793 198.363 PRESSAVG: 221600 -4.55836 41.6734 -66.7312 41.6734 -73.928 -2.5624 -66.7312 -2.56231 84.4246 GPRESSAVG: 221600 -6.02592 40.2052 -64.7649 41.177 -73.1621 -3.28441 -68.7128 -2.12208 84.821 TIMING: 221600 CPU: 661.962, 0.0030103/step Wall: 661.962, 0.0030103/step, 3.99567 hours remaining, 206.558594 MB of memory in use. ENERGY: 221600 745.5531 2088.4805 1947.9402 87.9079 -206195.0218 17871.2281 0.0000 0.0000 34298.2894 -149155.6226 299.5355 -183453.9120 -149060.3531 299.7540 16.5308 44.9524 557132.1157 1.9794 1.8777 PRESSURE: 221800 -229.226 222.291 16.343 222.29 -253.925 -23.399 16.343 -23.3973 -233.143 GPRESSURE: 221800 -181.938 254.573 18.8195 238.181 -184.35 -24.5099 79.4968 -6.77432 -247.067 PRESSAVG: 221800 64.2596 49.574 -57.0744 49.5739 -14.3769 10.8577 -57.0744 10.8577 24.9695 GPRESSAVG: 221800 65.3038 50.1923 -58.4625 49.2914 -14.4956 9.5572 -56.8246 12.4803 24.8182 TIMING: 221800 CPU: 662.559, 0.00298787/step Wall: 662.559, 0.00298787/step, 3.96573 hours remaining, 206.558594 MB of memory in use. ENERGY: 221800 781.8534 2044.0939 1939.0184 97.4444 -205883.6228 17466.3690 0.0000 0.0000 34408.7036 -149146.1401 300.4998 -183554.8437 -149048.6402 299.9483 -238.7648 -204.4517 558566.1694 24.9507 25.2088 PRESSURE: 222000 -307.873 -180.618 87.4202 -180.616 -96.4879 141.564 87.4199 141.562 -127.655 GPRESSURE: 222000 -262.086 -159.7 2.40883 -203.883 -80.0033 98.2561 209.958 135.907 -100.369 PRESSAVG: 222000 44.427 -46.2606 14.6262 -46.2605 -100.53 28.4432 14.6261 28.4432 46.2729 GPRESSAVG: 222000 44.6829 -47.9255 13.3211 -46.1673 -100.273 30.0396 16.8275 26.0367 46.6579 TIMING: 222000 CPU: 663.161, 0.00300888/step Wall: 663.161, 0.00300888/step, 3.99346 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: 222000 769.6357 2120.3053 1922.8457 120.8850 -205793.6100 17596.2002 0.0000 0.0000 34209.2925 -149054.4456 298.7583 -183263.7381 -148956.2165 299.0275 -177.3387 -147.4864 558372.6640 -3.2766 -2.9775 PRESSURE: 222200 150.103 -292.589 -141.091 -292.59 22.2504 -96.0848 -141.089 -96.0857 229.949 GPRESSURE: 222200 157.324 -302.304 -219.566 -173.276 57.6008 -68.6716 -128.224 -77.115 281.606 PRESSAVG: 222200 -10.7558 -4.40052 35.9004 -4.40053 -111.58 33.7514 35.9003 33.7514 87.1612 GPRESSAVG: 222200 -10.6458 -1.74382 37.145 -5.21902 -110.841 34.511 34.6016 33.7607 86.0962 TIMING: 222200 CPU: 663.761, 0.0030024/step Wall: 663.761, 0.0030024/step, 3.98469 hours remaining, 206.558594 MB of memory in use. ENERGY: 222200 715.3223 2061.2683 1981.1781 122.2731 -206195.9491 18003.1800 0.0000 0.0000 34256.9844 -149055.7430 299.1748 -183312.7274 -148954.3330 300.5804 134.1008 165.5103 558419.2078 -11.7248 -11.7969 PRESSURE: 222400 -20.2523 -8.18063 -1.60119 -8.18095 -5.01698 78.5696 -1.60079 78.5709 -141.609 GPRESSURE: 222400 -4.37269 -104.92 -61.1722 -20.7378 28.4629 -50.3295 122.392 114.213 -94.403 PRESSAVG: 222400 23.9363 -9.07126 39.0036 -9.07124 -54.3304 -4.95761 39.0035 -4.9575 43.9005 GPRESSAVG: 222400 24.9739 -12.1486 40.0808 -7.64187 -55.1683 -8.30332 38.3358 -3.59319 43.7431 TIMING: 222400 CPU: 664.366, 0.00302082/step Wall: 664.366, 0.00302082/step, 4.00896 hours remaining, 206.558594 MB of memory in use. ENERGY: 222400 743.8449 2058.6221 1971.5391 120.6138 -206181.3624 17782.0629 0.0000 0.0000 34434.0968 -149070.5827 300.7215 -183504.6795 -148969.6346 300.5509 -55.6262 -23.4376 560173.1365 4.5022 4.5162 PRESSURE: 222600 141.117 -23.652 -72.0499 -23.6531 -2.07746 79.1707 -72.0514 79.1714 202.126 GPRESSURE: 222600 184.865 -67.1086 -2.65605 -36.5004 9.58887 63.2893 -130.154 62.4578 246.655 PRESSAVG: 222600 -73.7389 -4.6538 34.7041 -4.65378 -18.0726 24.4767 34.7041 24.4766 55.3172 GPRESSAVG: 222600 -73.5333 -2.97636 34.0057 -4.05657 -17.5036 26.8342 35.737 23.523 54.351 TIMING: 222600 CPU: 664.967, 0.00300568/step Wall: 664.967, 0.00300568/step, 3.9887 hours remaining, 206.558594 MB of memory in use. ENERGY: 222600 735.3543 2126.1345 1949.2734 121.5827 -206514.2209 18225.3235 0.0000 0.0000 34326.2298 -149030.3228 299.7795 -183356.5526 -148939.7365 299.5925 113.7218 147.0362 559719.3876 -12.1647 -12.2286 PRESSURE: 222800 17.1163 -55.4816 -259.177 -55.4824 -78.1752 24.0814 -259.178 24.0826 -34.2236 GPRESSURE: 222800 47.2952 -127.779 -235.96 -58.6767 -23.4258 88.6716 -281.81 8.95791 -19.3683 PRESSAVG: 222800 14.8164 -23.7811 17.7493 -23.7811 -32.462 -42.2576 17.7494 -42.2576 10.179 GPRESSAVG: 222800 13.2743 -24.2604 17.435 -24.7538 -31.7063 -44.0539 17.8165 -40.8291 11.5925 TIMING: 222800 CPU: 665.569, 0.00301179/step Wall: 665.569, 0.00301179/step, 3.99665 hours remaining, 206.558594 MB of memory in use. ENERGY: 222800 717.5300 2095.5598 1946.4386 126.2044 -206423.0649 18034.3014 0.0000 0.0000 34340.7045 -149162.3261 299.9059 -183503.0307 -149065.3966 299.2352 -31.7608 1.5004 559994.3037 -2.4889 -2.2798 PRESSURE: 223000 35.5718 49.2305 -199.369 49.2307 138.342 98.3389 -199.369 98.3371 -285.04 GPRESSURE: 223000 50.518 -17.5847 -186.14 28.7056 233.966 136.227 -214.929 104.577 -311.73 PRESSAVG: 223000 6.49619 7.12084 -35.9048 7.12089 37.7198 6.03497 -35.9048 6.03492 -52.7328 GPRESSAVG: 223000 6.38699 7.8673 -35.1107 6.00191 37.0585 7.44243 -36.6997 4.23687 -52.0799 TIMING: 223000 CPU: 666.167, 0.00299035/step Wall: 666.167, 0.00299035/step, 3.96802 hours remaining, 206.558594 MB of memory in use. ENERGY: 223000 737.7171 2136.8033 1937.2703 120.9134 -206048.8107 17819.4101 0.0000 0.0000 34149.3230 -149147.3735 298.2345 -183296.6965 -149044.7767 299.1575 -37.0418 -9.0820 557283.7297 -2.8389 -2.8782 PRESSURE: 223200 -183.252 57.0462 61.1802 57.0483 -101.774 -18.7045 61.1801 -18.7045 93.7692 GPRESSURE: 223200 -132.021 41.7261 68.2489 76.5367 -96.0723 87.7867 135.605 -1.51651 127.497 PRESSAVG: 223200 50.0373 41.9163 -15.4103 41.9163 -26.8574 3.15076 -15.4103 3.15074 -6.93011 GPRESSAVG: 223200 49.3822 41.7276 -15.4207 43.0081 -25.9542 1.12252 -15.702 5.91159 -6.89729 TIMING: 223200 CPU: 666.768, 0.00300568/step Wall: 666.768, 0.00300568/step, 3.98821 hours remaining, 206.558594 MB of memory in use. ENERGY: 223200 740.2860 2118.6107 1947.7839 115.7745 -206149.2772 17724.7306 0.0000 0.0000 34403.2704 -149098.8210 300.4523 -183502.0914 -149003.4793 299.2549 -63.7523 -33.5321 557937.8640 5.4166 5.5102 PRESSURE: 223400 4.74315 189.46 -167.015 189.458 245.417 -57.0768 -167.015 -57.0764 23.4031 GPRESSURE: 223400 52.0886 193.652 -118.34 127.352 230.642 -72.5502 -140.273 -47.1963 85.003 PRESSAVG: 223400 -14.4216 38.2291 -32.0529 38.2292 48.9836 21.0587 -32.053 21.0586 3.58259 GPRESSAVG: 223400 -13.001 38.8618 -32.8414 36.954 47.0023 22.3619 -31.1388 18.7808 3.85748 TIMING: 223400 CPU: 667.368, 0.00300003/step Wall: 667.368, 0.00300003/step, 3.98054 hours remaining, 206.558594 MB of memory in use. ENERGY: 223400 735.9633 2159.7246 1902.5167 119.0854 -206538.5934 17985.4357 0.0000 0.0000 34635.8481 -149000.0194 302.4835 -183635.8675 -148905.0358 300.4885 91.1877 122.5780 557048.7614 12.7149 12.6196 PRESSURE: 223600 280.447 -66.4244 -48.8276 -66.425 21.5576 133.884 -48.8283 133.883 -56.0441 GPRESSURE: 223600 270.119 -63.0991 37.5211 -51.5143 131.637 159.673 -61.5573 163.606 -57.4081 PRESSAVG: 223600 -24.0408 10.4518 -52.6844 10.4519 -2.6723 -1.62794 -52.6844 -1.6279 29.1992 GPRESSAVG: 223600 -24.4301 8.49072 -53.5995 12.1733 -1.79654 -1.19333 -52.3493 -3.08695 28.3701 TIMING: 223600 CPU: 667.974, 0.00302785/step Wall: 667.974, 0.00302785/step, 4.01728 hours remaining, 206.558594 MB of memory in use. ENERGY: 223600 760.2576 2110.4908 1925.7749 95.1148 -206064.9099 17829.9212 0.0000 0.0000 34037.2290 -149306.1217 297.2556 -183343.3506 -149220.6288 299.5441 81.9868 114.7825 556756.2037 0.8287 0.7145 PRESSURE: 223800 176.713 43.1659 -19.726 43.1662 -246.809 83.906 -19.7249 83.9097 -242.936 GPRESSURE: 223800 174.887 42.6607 -20.6847 57.0798 -171.067 49.7036 -15.1513 151.526 -220.254 PRESSAVG: 223800 20.1613 -38.6169 -5.63313 -38.6168 0.019746 -3.32991 -5.63307 -3.32987 -11.2735 GPRESSAVG: 223800 21.3128 -37.7453 -3.59866 -39.3666 -1.89825 -3.22683 -6.7767 -3.10755 -10.4864 TIMING: 223800 CPU: 668.578, 0.00302098/step Wall: 668.578, 0.00302098/step, 4.008 hours remaining, 206.558594 MB of memory in use. ENERGY: 223800 749.2524 2113.8731 1938.5951 109.8597 -206227.4480 17660.3342 0.0000 0.0000 34195.8119 -149459.7215 298.6405 -183655.5334 -149367.9098 298.7206 -104.3443 -72.1448 556257.4980 2.9692 2.9760 PRESSURE: 224000 -16.1167 104.578 135.008 104.577 93.0715 -92.6652 135.008 -92.6641 190.887 GPRESSURE: 224000 49.1135 68.161 165.253 111.614 107.945 5.75388 101.2 -129.725 212.482 PRESSAVG: 224000 -9.17224 4.45832 -31.0828 4.45827 11.4604 37.0898 -31.0829 37.0899 30.6594 GPRESSAVG: 224000 -10.5038 6.97001 -30.3622 2.97058 13.4221 38.0532 -31.5591 38.2454 30.2669 TIMING: 224000 CPU: 669.181, 0.00301292/step Wall: 669.181, 0.00301292/step, 3.99714 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: 224000 742.4154 2038.1879 1918.4477 109.8844 -206309.8389 17767.8805 0.0000 0.0000 34456.4727 -149276.5504 300.9169 -183733.0231 -149180.2758 298.7559 89.2807 123.1802 555988.4172 10.9825 11.0617 PRESSURE: 224200 97.659 -1.49129 78.4768 -1.49229 -209.463 149.052 78.4787 149.052 46.6682 GPRESSURE: 224200 77.292 -22.5592 66.7308 -5.64372 -190.924 164.996 149.469 131.533 146.598 PRESSAVG: 224200 -13.2231 38.0318 19.9091 38.0318 -29.1746 8.79002 19.9091 8.78995 0.633283 GPRESSAVG: 224200 -13.1771 35.1868 18.0718 40.1862 -28.6064 5.79742 22.9488 11.3635 -0.183875 TIMING: 224200 CPU: 669.782, 0.00300558/step Wall: 669.782, 0.00300558/step, 3.98723 hours remaining, 206.558594 MB of memory in use. ENERGY: 224200 737.9635 2045.5455 1923.4167 123.0150 -206114.2539 17658.2337 0.0000 0.0000 34300.3959 -149325.6835 299.5539 -183626.0795 -149234.8313 299.4001 -21.7118 10.9889 557087.0965 -13.9215 -13.9891 LDB: ============= START OF LOAD BALANCING ============== 673.297 LDB: ============== END OF LOAD BALANCING =============== 673.297 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 673.299 LDB: ============= START OF LOAD BALANCING ============== 673.601 LDB: Largest compute 4773 load 0.031178 is 26.5% of average load 0.117716 LDB: Average compute 0.001731 is 1.5% of average load 0.117716 LDB: TIME 673.603 LOAD: AVG 0.117716 MAX 0.210128 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.477 MB LDB: TIME 673.603 LOAD: AVG 0.117716 MAX 0.210128 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.484 MB LDB: TIME 673.604 LOAD: AVG 0.117716 MAX 0.210128 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.484 MB LDB: ============== END OF LOAD BALANCING =============== 673.605 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 673.609 PRESSURE: 224400 -294.176 -46.2599 -32.9975 -46.2597 -22.311 15.3111 -32.9982 15.3113 -42.3261 GPRESSURE: 224400 -255.569 -74.7959 -6.43428 -138.527 -31.6435 27.776 -9.06464 -10.1096 11.9367 PRESSAVG: 224400 -57.3998 30.5127 -0.352976 30.5128 14.234 56.0481 -0.353008 56.048 7.01187 GPRESSAVG: 224400 -56.3413 31.6116 0.68706 29.9719 13.4096 57.0294 -1.75792 52.7756 6.39086 TIMING: 224400 CPU: 670.393, 0.00305514/step Wall: 670.393, 0.00305514/step, 4.05282 hours remaining, 204.554688 MB of memory in use. ENERGY: 224400 749.1401 2117.9503 1946.1760 99.0246 -206077.8801 17658.6447 0.0000 0.0000 34157.8006 -149349.1438 298.3086 -183506.9444 -149258.9375 298.3088 -119.6045 -91.7585 557167.8312 -12.0513 -12.1803 PRESSURE: 224600 -28.4577 111.934 68.1213 111.934 -321.921 -138.177 68.1217 -138.178 204.472 GPRESSURE: 224600 -8.50625 97.3689 57.8751 115.376 -287.27 -111.976 99.5047 -89.23 241.224 PRESSAVG: 224600 -28.7274 28.4288 34.1444 28.4287 -0.946078 28.7688 34.1443 28.7688 -7.22137 GPRESSAVG: 224600 -29.2904 28.9367 35.4426 29.2063 -2.56659 27.1859 32.9377 30.39 -4.83118 TIMING: 224600 CPU: 670.994, 0.00300561/step Wall: 670.994, 0.00300561/step, 3.98694 hours remaining, 204.554688 MB of memory in use. ENERGY: 224600 758.3129 2107.5552 1926.8880 112.2869 -206042.5539 17686.0443 0.0000 0.0000 34071.8974 -149379.5691 297.5584 -183451.4665 -149284.7872 299.4263 -48.6355 -18.1843 557642.9144 -12.2983 -12.2294 PRESSURE: 224800 -45.2076 -87.273 123.812 -87.2734 -89.9082 5.41881 123.811 5.41704 -328.189 GPRESSURE: 224800 -17.8919 -81.9786 110.466 -42.2281 -69.3146 92.7489 114.511 -35.5663 -277.192 PRESSAVG: 224800 15.6073 45.5467 30.0203 45.5467 -16.8915 40.6728 30.0203 40.6728 -4.17843 GPRESSAVG: 224800 16.0291 43.5051 29.5907 44.4842 -15.964 42.8409 30.1416 39.7988 -5.79479 TIMING: 224800 CPU: 671.593, 0.00299713/step Wall: 671.593, 0.00299713/step, 3.97553 hours remaining, 204.554688 MB of memory in use. ENERGY: 224800 775.9880 2131.5026 1943.4876 113.1051 -205967.5510 17623.2991 0.0000 0.0000 34116.3064 -149263.8622 297.9462 -183380.1686 -149169.2113 299.3493 -154.4351 -121.4661 556885.1623 -1.8209 -1.9099 PRESSURE: 225000 -152.772 101.263 -55.2274 101.263 -34.2634 66.7658 -55.2274 66.7663 83.2987 GPRESSURE: 225000 -122.13 74.4207 20.0291 133.726 -32.8586 150.263 -41.9269 12.3422 141.975 PRESSAVG: 225000 37.0643 15.5452 17.5777 15.5452 -24.2334 8.44374 17.5777 8.44358 -16.3384 GPRESSAVG: 225000 37.2003 17.5633 15.9858 16.0522 -23.9681 7.15956 17.071 9.15832 -16.1534 TIMING: 225000 CPU: 672.193, 0.00299663/step Wall: 672.193, 0.00299663/step, 3.9747 hours remaining, 204.554688 MB of memory in use. ENERGY: 225000 736.4610 2075.8649 1940.9669 119.6348 -205972.5978 17696.0559 0.0000 0.0000 34110.3250 -149293.2893 297.8940 -183403.6143 -149198.6272 298.9289 -34.5788 -4.3379 557990.1763 -1.1692 -0.9737 PRESSURE: 225200 190.258 -108.229 82.6458 -108.229 -56.7422 -26.8327 82.6474 -26.8332 8.1755 GPRESSURE: 225200 213.979 -57.7139 77.6908 -85.7032 -23.1236 23.1572 147.95 14.698 65.2543 PRESSAVG: 225200 -3.40642 35.6335 8.46889 35.6335 13.8992 -22.1565 8.46886 -22.1565 4.23514 GPRESSAVG: 225200 -3.13156 36.3659 6.53955 33.2525 13.6798 -21.0326 9.70024 -21.8185 3.93614 TIMING: 225200 CPU: 672.784, 0.00295639/step Wall: 672.784, 0.00295639/step, 3.92116 hours remaining, 204.554688 MB of memory in use. ENERGY: 225200 741.9502 2154.1703 1963.2111 121.9462 -206233.8442 17815.1850 0.0000 0.0000 34334.3599 -149103.0214 299.8505 -183437.3813 -149003.9566 299.3762 47.2306 85.3698 557337.5298 4.9093 4.8281 PRESSURE: 225400 94.2008 -10.1939 -27.5271 -10.1941 -139.295 -21.3358 -27.5284 -21.3359 305.825 GPRESSURE: 225400 103.217 123.222 11.1817 12.3697 -97.3023 -82.4624 -103.771 28.9825 364.963 PRESSAVG: 225400 -2.47894 62.0363 0.17378 62.0363 -57.4577 -25.0829 0.173804 -25.0829 68.353 GPRESSAVG: 225400 -3.97235 61.1064 0.267393 65.1504 -56.9449 -24.9912 0.570441 -25.3175 69.0086 TIMING: 225400 CPU: 673.384, 0.00300234/step Wall: 673.384, 0.00300234/step, 3.98193 hours remaining, 204.554688 MB of memory in use. ENERGY: 225400 715.6844 2120.1667 1934.4210 103.0253 -206563.6709 17995.5449 0.0000 0.0000 34345.6092 -149349.2194 299.9487 -183694.8286 -149244.9341 299.3920 86.9105 123.6261 556882.1531 2.8055 2.6971 PRESSURE: 225600 -217.031 62.6678 -72.0577 62.6685 -198.225 -238.539 -72.0573 -238.539 290.553 GPRESSURE: 225600 -132.929 -31.4093 -150.789 125.78 -171.34 -209.074 -97.7311 -158.257 261.089 PRESSAVG: 225600 1.00061 21.6775 -6.48507 21.6775 -55.279 17.8248 -6.48499 17.8248 70.0026 GPRESSAVG: 225600 1.5609 20.3919 -4.89969 20.3 -55.9736 18.415 -8.34568 15.8167 69.646 TIMING: 225600 CPU: 673.981, 0.00298355/step Wall: 673.981, 0.00298355/step, 3.95685 hours remaining, 204.554688 MB of memory in use. ENERGY: 225600 778.1439 2131.2479 1951.7427 107.0352 -206368.9802 17887.7589 0.0000 0.0000 34417.3599 -149095.6917 300.5754 -183513.0516 -149000.1389 299.7033 -41.5678 -14.3934 557235.0794 5.2414 5.0778 PRESSURE: 225800 68.2218 2.19823 190.137 2.19789 -127.539 1.01006 190.137 1.00831 92.8534 GPRESSURE: 225800 77.3122 27.8658 138.183 39.5346 -38.6538 95.0037 255.642 -18.0865 88.7069 PRESSAVG: 225800 16.1149 -18.0748 -15.983 -18.0747 -100.788 -1.2011 -15.983 -1.20111 89.0605 GPRESSAVG: 225800 15.9565 -18.2166 -16.4498 -16.9649 -101.406 -0.985206 -14.7007 -1.48109 89.4792 TIMING: 225800 CPU: 674.577, 0.00297819/step Wall: 674.577, 0.00297819/step, 3.94958 hours remaining, 204.554688 MB of memory in use. ENERGY: 225800 704.9377 2113.9270 1937.6923 114.1669 -206122.6943 17825.8051 0.0000 0.0000 34184.0719 -149242.0934 298.5380 -183426.1653 -149143.7658 299.6257 11.1787 42.4551 556991.8563 1.4624 1.3434 PRESSURE: 226000 -118.077 -194.882 99.3593 -194.882 -192.677 186.448 99.3585 186.448 -146.399 GPRESSURE: 226000 -67.4476 -122.579 219.396 -174.491 -150.686 251.269 96.016 190.073 -131.397 PRESSAVG: 226000 19.8336 6.85088 29.863 6.85091 -31.6513 -25.7492 29.863 -25.7491 52.3338 GPRESSAVG: 226000 18.7645 7.53244 31.0064 4.01567 -30.3686 -27.4817 30.3858 -23.7787 52.519 TIMING: 226000 CPU: 675.176, 0.00299743/step Wall: 675.176, 0.00299743/step, 3.97492 hours remaining, 204.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 226000 751.7945 2127.1454 1971.4722 120.8230 -205809.8403 17486.5781 0.0000 0.0000 34219.3136 -149132.7135 298.8458 -183352.0271 -149031.9634 300.3145 -152.3841 -116.5103 558277.7853 13.5054 13.6383 PRESSURE: 226200 61.231 -130.878 69.3329 -130.879 -116.269 -84.8148 69.3331 -84.8152 17.1329 GPRESSURE: 226200 138.786 -112.892 27.5078 -119.884 -97.9017 -99.1804 142.49 -0.274296 22.9122 PRESSAVG: 226200 15.726 20.3753 9.25743 20.3752 -65.1894 -17.0001 9.25734 -17.0001 7.08074 GPRESSAVG: 226200 17.4634 22.7007 7.95907 19.6151 -66.9691 -15.6606 7.99033 -18.2942 6.73134 TIMING: 226200 CPU: 675.776, 0.0029969/step Wall: 675.776, 0.0029969/step, 3.97405 hours remaining, 204.554688 MB of memory in use. ENERGY: 226200 770.6550 2064.7072 1953.0072 124.8677 -205966.3411 17732.7266 0.0000 0.0000 34299.6794 -149020.6979 299.5476 -183320.3773 -148924.3619 300.0206 -12.6352 21.2656 557854.9908 -14.1276 -14.2581 PRESSURE: 226400 182.144 4.40687 -5.06697 4.40552 -83.0273 -140.185 -5.06706 -140.186 -1.15254 GPRESSURE: 226400 154.548 9.56956 -15.5201 1.75001 31.7947 -118.184 -22.4062 -93.0718 17.6766 PRESSAVG: 226400 3.90233 8.24298 -39.8106 8.24301 24.8434 -38.114 -39.8105 -38.114 14.6416 GPRESSAVG: 226400 4.19862 6.19833 -40.8374 11.179 25.1056 -39.0035 -40.7151 -36.7342 14.091 TIMING: 226400 CPU: 676.377, 0.00300945/step Wall: 676.377, 0.00300945/step, 3.99053 hours remaining, 204.554688 MB of memory in use. ENERGY: 226400 732.0731 2039.1254 1976.3986 106.0344 -206170.4372 18068.7839 0.0000 0.0000 34291.8240 -148956.1979 299.4790 -183248.0219 -148857.0945 299.9884 32.6547 68.0065 558581.8643 14.4624 14.4650 PRESSURE: 226600 -301.049 22.034 1.74788 22.0352 -223.103 -86.3054 1.74818 -86.3044 -226.788 GPRESSURE: 226600 -268.244 31.2716 62.6001 -21.8758 -150.309 -134.782 -64.6324 -75.3046 -253.49 PRESSAVG: 226600 -6.74713 14.62 -16.4919 14.6201 -5.33771 -28.0795 -16.4919 -28.0796 3.99398 GPRESSAVG: 226600 -7.01265 14.5309 -14.0468 15.448 -5.21057 -30.5035 -16.8292 -27.9594 4.42406 TIMING: 226600 CPU: 676.974, 0.00298143/step Wall: 676.974, 0.00298143/step, 3.95321 hours remaining, 204.554688 MB of memory in use. ENERGY: 226600 776.0738 2063.1730 1954.6275 121.8670 -205637.9939 17382.6323 0.0000 0.0000 34345.5996 -148994.0207 299.9487 -183339.6204 -148892.2566 299.6795 -250.3135 -224.0142 557667.1598 -2.6970 -2.5997 PRESSURE: 226800 182.725 63.3085 54.0863 63.3088 106.037 140.316 54.0866 140.316 97.8126 GPRESSURE: 226800 233.739 20.6652 46.331 139.504 131.611 173.379 67.5121 35.5677 107.325 PRESSAVG: 226800 62.583 31.375 29.4585 31.375 -22.8278 -0.258573 29.4585 -0.258566 17.018 GPRESSAVG: 226800 63.5168 30.9593 27.0129 29.7209 -23.6479 0.520928 33.6889 -1.39881 17.0789 TIMING: 226800 CPU: 677.574, 0.00300202/step Wall: 677.574, 0.00300202/step, 3.98035 hours remaining, 204.554688 MB of memory in use. ENERGY: 226800 754.6774 2078.3347 1963.6154 89.4595 -206243.9181 17994.4436 0.0000 0.0000 34525.7458 -148837.6417 301.5219 -183363.3875 -148737.6813 300.1495 128.8582 157.5586 557001.1980 18.9244 18.9826 PRESSURE: 227000 -279.189 27.4865 -15.407 27.4876 95.3188 246.008 -15.4076 246.007 -267.212 GPRESSURE: 227000 -220.389 63.1489 -104.068 24.7625 90.7879 251.104 -34.1558 201.856 -238.378 PRESSAVG: 227000 5.01086 -1.63664 -36.1265 -1.63654 17.7592 12.1879 -36.1265 12.1879 -9.03659 GPRESSAVG: 227000 4.25409 -1.37347 -34.7346 -1.4421 18.7318 14.8643 -40.3244 13.1824 -9.03443 TIMING: 227000 CPU: 678.182, 0.00304024/step Wall: 678.182, 0.00304024/step, 4.03085 hours remaining, 204.554688 MB of memory in use. ENERGY: 227000 732.5804 2130.5242 1981.7712 106.1951 -205510.1006 17473.4084 0.0000 0.0000 34434.4797 -148651.1416 300.7249 -183085.6214 -148556.1170 301.0135 -150.3606 -122.6596 558488.3644 4.5778 4.6505 PRESSURE: 227200 -105.243 -28.7934 5.73937 -28.7916 -245.021 175.569 5.73913 175.57 -199.475 GPRESSURE: 227200 -116.937 -2.59937 115.279 -9.7636 -238.823 116.607 -1.23615 83.8528 -99.7962 PRESSAVG: 227200 -31.0083 5.21212 25.7365 5.21215 -17.6521 39.3264 25.7365 39.3265 73.8077 GPRESSAVG: 227200 -31.3941 5.92467 24.9878 3.18377 -17.9773 37.7131 25.5039 38.7627 73.7318 TIMING: 227200 CPU: 678.787, 0.00302562/step Wall: 678.787, 0.00302562/step, 4.0113 hours remaining, 204.554688 MB of memory in use. ENERGY: 227200 773.0695 2091.1041 1945.9365 105.8028 -205450.0002 17423.2819 0.0000 0.0000 34492.4124 -148618.3930 301.2308 -183110.8054 -148517.2224 301.5950 -183.2464 -151.8521 557014.5510 8.3824 8.1201 PRESSURE: 227400 -164.888 -3.05037 127.743 -3.05156 -292.997 -118.543 127.742 -118.544 75.2066 GPRESSURE: 227400 -81.9149 26.5832 140.484 -36.6386 -281.992 -25.144 129.753 -61.1998 82.8841 PRESSAVG: 227400 -6.01908 0.0192246 0.221812 0.0191919 -32.9624 54.7563 0.221765 54.7562 26.2193 GPRESSAVG: 227400 -6.68278 1.09671 1.9674 2.05534 -31.9019 56.4638 1.48174 55.0226 25.8497 TIMING: 227400 CPU: 679.386, 0.00299517/step Wall: 679.386, 0.00299517/step, 3.97076 hours remaining, 204.554688 MB of memory in use. ENERGY: 227400 753.1917 2057.2416 1944.4953 115.4706 -205682.0137 17669.2980 0.0000 0.0000 34493.2224 -148649.0942 301.2379 -183142.3166 -148551.5393 301.5453 -127.5597 -93.6743 558908.5592 -4.2540 -4.2450 PRESSURE: 227600 56.598 0.223405 134.873 0.224074 -130.47 -137.416 134.873 -137.416 -366.464 GPRESSURE: 227600 97.5115 -89.4554 222.208 -4.38339 -78.9143 -88.0069 -31.9653 -170.547 -360.47 PRESSAVG: 227600 25.7889 62.0528 16.7852 62.0528 -0.652242 -26.1621 16.7853 -26.1621 -40.5953 GPRESSAVG: 227600 26.777 60.9585 17.0788 61.8992 -0.76287 -27.5617 17.2224 -25.1016 -41.3207 TIMING: 227600 CPU: 679.989, 0.00301279/step Wall: 679.989, 0.00301279/step, 3.99395 hours remaining, 204.554688 MB of memory in use. ENERGY: 227600 728.5828 2102.9835 1940.7379 116.7287 -205673.0602 17664.1932 0.0000 0.0000 34325.9081 -148793.9260 299.7767 -183119.8341 -148707.3249 301.3560 -146.7789 -113.9577 559062.2608 -5.1529 -5.1022 PRESSURE: 227800 155.34 52.9009 -62.5997 52.9011 68.8169 -83.2046 -62.6013 -83.2052 191.489 GPRESSURE: 227800 194.712 28.5554 -44.4083 -32.7629 52.5194 -71.3948 -71.6932 -72.8171 259.815 PRESSAVG: 227800 76.9585 12.65 9.03422 12.6499 -5.82956 -53.2519 9.03427 -53.252 -16.2013 GPRESSAVG: 227800 77.9299 12.8287 9.16009 11.2579 -6.80225 -52.3224 8.47305 -53.8068 -15.8342 TIMING: 227800 CPU: 680.596, 0.00303304/step Wall: 680.596, 0.00303304/step, 4.02063 hours remaining, 204.554688 MB of memory in use. ENERGY: 227800 701.5881 2093.4866 1930.4040 108.7947 -205937.3075 17847.1216 0.0000 0.0000 34320.3861 -148935.5266 299.7285 -183255.9126 -148832.4778 300.3175 138.5486 169.0154 558076.9391 18.3092 18.4311 PRESSURE: 228000 -233.118 -66.0083 23.1855 -66.0081 204.71 101.508 23.1857 101.509 -102.02 GPRESSURE: 228000 -161.896 -44.6598 -41.8905 -61.276 211.572 -18.439 -7.6229 83.9042 -84.9765 PRESSAVG: 228000 8.13159 2.46263 9.52146 2.46263 20.5113 49.9216 9.52149 49.9217 -16.485 GPRESSAVG: 228000 8.2674 0.617302 8.33961 3.67211 19.7167 50.1486 10.4067 49.2087 -15.8425 TIMING: 228000 CPU: 681.205, 0.00304608/step Wall: 681.205, 0.00304608/step, 4.03775 hours remaining, 204.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 228000 741.9843 2146.8540 1948.5288 128.0471 -205847.2326 17641.9126 0.0000 0.0000 34395.1803 -148844.7255 300.3817 -183239.9058 -148753.6662 300.2562 -43.4760 -11.7668 557697.3175 4.0526 4.0472 PRESSURE: 228200 63.0591 -27.9027 85.6386 -27.903 28.409 -17.3844 85.6395 -17.384 61.5365 GPRESSURE: 228200 81.1135 8.18679 71.0933 -80.9824 62.54 -107.673 62.969 -22.5983 96.1315 PRESSAVG: 228200 13.1625 -22.3312 22.4978 -22.3311 44.2116 11.9961 22.4977 11.9959 -33.3542 GPRESSAVG: 228200 13.0121 -20.698 22.4033 -21.4648 46.1168 11.5581 21.4046 12.8576 -34.639 TIMING: 228200 CPU: 681.81, 0.0030242/step Wall: 681.81, 0.0030242/step, 4.00858 hours remaining, 204.554688 MB of memory in use. ENERGY: 228200 735.4828 2087.0140 1955.9015 109.2696 -205972.6980 17823.8614 0.0000 0.0000 34306.1372 -148955.0314 299.6040 -183261.1686 -148857.0631 299.9230 51.0015 79.9283 557955.6512 8.0067 8.1633 LDB: ============= START OF LOAD BALANCING ============== 685.331 LDB: ============== END OF LOAD BALANCING =============== 685.331 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 685.333 LDB: ============= START OF LOAD BALANCING ============== 685.635 LDB: Largest compute 4773 load 0.027087 is 23.0% of average load 0.117847 LDB: Average compute 0.001724 is 1.5% of average load 0.117847 LDB: TIME 685.638 LOAD: AVG 0.117847 MAX 0.21507 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.105 MB LDB: TIME 685.638 LOAD: AVG 0.117847 MAX 0.21507 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.203 MB LDB: TIME 685.638 LOAD: AVG 0.117847 MAX 0.21507 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.203 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 685.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 685.645 PRESSURE: 228400 -174.696 -119.037 -41.0315 -119.036 142.564 79.843 -41.0322 79.8435 -66.1591 GPRESSURE: 228400 -184.378 -101.021 -23.9883 -221.089 205.419 44.6601 -79.903 142.898 -30.7092 PRESSAVG: 228400 14.1013 -15.1348 52.4392 -15.1347 -23.9875 62.0588 52.4392 62.0586 -9.50647 GPRESSAVG: 228400 13.7939 -14.2211 51.1006 -15.9667 -24.9899 62.6566 54.6373 61.2311 -8.43655 TIMING: 228400 CPU: 682.428, 0.00309225/step Wall: 682.428, 0.00309225/step, 4.0986 hours remaining, 205.718750 MB of memory in use. ENERGY: 228400 742.7873 2152.8428 1954.6264 125.4384 -206161.7097 17733.0037 0.0000 0.0000 34367.5680 -149085.4431 300.1405 -183453.0110 -148990.1207 299.9684 -32.7637 -3.2229 558310.0851 -6.4642 -6.5442 PRESSURE: 228600 47.9156 53.3758 -124.336 53.3765 -12.8483 128.268 -124.335 128.269 136.467 GPRESSURE: 228600 135.298 37.8433 -80.135 46.6267 10.6558 141.01 -119.861 191.762 127.513 PRESSAVG: 228600 11.803 35.2786 2.03807 35.2787 -28.2795 67.8508 2.03804 67.8507 2.50023 GPRESSAVG: 228600 12.805 34.2078 2.81403 35.3773 -28.7807 67.6746 0.623854 67.9592 2.32322 TIMING: 228600 CPU: 683.029, 0.00300371/step Wall: 683.029, 0.00300371/step, 3.98108 hours remaining, 205.921875 MB of memory in use. ENERGY: 228600 749.3122 2130.7543 1942.7023 111.1603 -206233.1146 17896.0353 0.0000 0.0000 34217.2091 -149185.9410 298.8274 -183403.1502 -149095.5900 299.3815 57.1782 91.1558 556653.0641 -4.6588 -4.5508 PRESSURE: 228800 -284.623 116.783 164.168 116.783 -223.987 -73.9408 164.168 -73.941 -241.124 GPRESSURE: 228800 -230.554 197.499 173.704 76.3157 -218.578 -51.8353 203.356 11.1813 -206.481 PRESSAVG: 228800 1.19588 38.3664 3.00885 38.3664 -10.9368 40.6173 3.00881 40.6175 31.5434 GPRESSAVG: 228800 0.897685 38.8431 4.75543 36.4112 -10.1806 39.0836 -0.191215 40.878 30.9123 TIMING: 228800 CPU: 683.635, 0.00302879/step Wall: 683.635, 0.00302879/step, 4.01416 hours remaining, 205.921875 MB of memory in use. ENERGY: 228800 718.5149 2102.9346 1948.8924 113.9587 -205644.6109 17266.4517 0.0000 0.0000 34153.8196 -149340.0391 298.2738 -183493.8587 -149241.3804 298.6290 -249.9114 -218.5378 557853.8018 7.2675 7.2098 PRESSURE: 229000 -233.843 19.4271 138.542 19.4276 -5.99597 -27.7759 138.542 -27.7769 -109.875 GPRESSURE: 229000 -164.204 15.12 90.1382 63.5904 -38.7083 -35.1571 150.593 8.9044 -52.359 PRESSAVG: 229000 -32.0958 4.43854 -17.2078 4.43859 44.1821 -0.13381 -17.2079 -0.133783 -49.0782 GPRESSAVG: 229000 -31.9476 4.55583 -19.1461 5.09623 42.923 1.09822 -15.3305 0.737431 -47.7839 TIMING: 229000 CPU: 684.238, 0.00301509/step Wall: 684.238, 0.00301509/step, 3.99584 hours remaining, 205.921875 MB of memory in use. ENERGY: 229000 752.5296 2080.3183 1918.9467 109.7733 -206070.9868 17703.6807 0.0000 0.0000 34063.5779 -149442.1602 297.4857 -183505.7381 -149340.4468 298.4131 -116.5712 -85.0903 556498.0505 -12.3306 -12.2695 PRESSURE: 229200 -216.13 -71.4311 1.16867 -71.4299 119.092 0.0114607 1.16883 0.0116161 -50.6703 GPRESSURE: 229200 -179.566 -60.5403 -27.164 -53.8029 158.216 -72.5921 13.1231 -10.8072 -18.1399 PRESSAVG: 229200 -18.8063 4.33379 -10.326 4.33381 8.28751 -60.4707 -10.3259 -60.4707 5.40287 GPRESSAVG: 229200 -19.8716 2.58462 -9.61999 6.81348 9.38922 -59.9104 -11.5641 -62.5161 5.11556 TIMING: 229200 CPU: 684.836, 0.00299045/step Wall: 684.836, 0.00299045/step, 3.96301 hours remaining, 205.921875 MB of memory in use. ENERGY: 229200 753.3110 2055.5733 1945.6354 114.3133 -205976.7307 17685.6383 0.0000 0.0000 34018.9480 -149403.3113 297.0959 -183422.2593 -149304.8249 298.2633 -49.2359 -13.1631 556580.1028 -1.7053 -1.7890 PRESSURE: 229400 126.025 -16.0654 -115.878 -16.0655 -59.3358 -95.9048 -115.878 -95.9053 167.327 GPRESSURE: 229400 207.033 -78.7556 -145.682 -46.7206 -12.5094 -97.9956 -45.469 -57.2835 146.455 PRESSAVG: 229400 18.8594 16.2436 -32.4646 16.2436 2.0394 -33.5548 -32.4645 -33.5548 13.7054 GPRESSAVG: 229400 18.9545 16.2688 -30.0327 15.7137 1.80978 -33.7907 -30.5548 -32.1669 13.469 TIMING: 229400 CPU: 685.446, 0.00305108/step Wall: 685.446, 0.00305108/step, 4.04318 hours remaining, 205.921875 MB of memory in use. ENERGY: 229400 747.6801 2119.6914 1919.5557 113.8186 -206573.0267 17902.6724 0.0000 0.0000 34264.1347 -149505.4737 299.2372 -183769.6085 -149414.7893 298.1205 78.0053 113.6595 555226.5434 11.5347 11.4111 PRESSURE: 229600 -197.191 51.6053 172.472 51.6055 -318.76 128.373 172.472 128.371 -245.279 GPRESSURE: 229600 -190.044 8.65198 82.0594 55.6267 -312.569 156.955 167.249 152.169 -167.969 PRESSAVG: 229600 -0.223046 37.6018 28.4129 37.6018 -31.6759 52.7047 28.4129 52.7047 12.7878 GPRESSAVG: 229600 -0.848217 37.5232 24.9626 35.8052 -31.5703 52.2167 30.0472 52.0458 13.546 TIMING: 229600 CPU: 686.05, 0.00302059/step Wall: 686.05, 0.00302059/step, 4.00262 hours remaining, 205.921875 MB of memory in use. ENERGY: 229600 733.9617 2058.5271 1935.0322 104.0170 -205743.4068 17352.4515 0.0000 0.0000 34290.8394 -149268.5779 299.4704 -183559.4173 -149165.7720 298.0698 -253.7433 -223.5272 559019.5756 -6.3704 -6.2908 PRESSURE: 229800 -286.796 67.6868 -20.444 67.6862 -274.159 -53.6325 -20.4425 -53.632 -283.363 GPRESSURE: 229800 -249.985 71.2079 60.0671 74.5258 -247.029 -8.2217 -102.368 -128.128 -249.334 PRESSAVG: 229800 0.517532 -6.71483 13.0837 -6.71486 -14.8792 42.086 13.0837 42.086 30.9643 GPRESSAVG: 229800 0.486954 -6.34481 14.884 -5.5969 -14.724 42.8663 10.317 42.4258 31.2456 TIMING: 229800 CPU: 686.65, 0.00300008/step Wall: 686.65, 0.00300008/step, 3.97527 hours remaining, 205.921875 MB of memory in use. ENERGY: 229800 773.8402 2114.5023 1945.7586 111.2985 -205768.7174 17538.1099 0.0000 0.0000 34033.1928 -149252.0151 297.2203 -183285.2079 -149152.4296 299.2222 -281.4392 -248.7826 557937.2600 5.5342 5.6695 PRESSURE: 230000 -19.1608 51.1121 -25.7681 51.1128 -237.255 112.591 -25.7664 112.591 -21.8298 GPRESSURE: 230000 44.318 68.9316 -46.0064 100.61 -215.747 78.8821 -68.9118 119.926 -21.5957 PRESSAVG: 230000 70.1809 -3.24168 -31.3906 -3.24179 -8.34921 -38.4966 -31.3905 -38.4965 -52.8051 GPRESSAVG: 230000 70.0245 -2.67574 -32.4433 -3.41026 -9.13193 -39.8567 -30.6693 -37.3614 -52.2957 TIMING: 230000 CPU: 687.249, 0.00299658/step Wall: 687.249, 0.00299658/step, 3.97047 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: 230000 706.6231 2123.3128 1917.2202 116.8773 -206080.4990 17619.7680 0.0000 0.0000 34483.3979 -149113.2997 301.1521 -183596.6976 -149017.0426 299.7804 -92.7484 -64.3415 558071.3635 3.0088 2.8656 PRESSURE: 230200 -194.105 -114.052 -47.0006 -114.051 -276.076 119.81 -47.0001 119.81 -298.278 GPRESSURE: 230200 -118.159 -130.367 -144.617 -84.9631 -245.07 35.8682 28.5833 168.859 -314.673 PRESSAVG: 230200 -41.8853 11.5305 -9.34416 11.5305 -17.9483 -40.5584 -9.34415 -40.5585 41.5734 GPRESSAVG: 230200 -41.6871 8.97277 -7.98183 12.6865 -16.8592 -40.7218 -9.25565 -39.8361 40.1611 TIMING: 230200 CPU: 687.844, 0.00297405/step Wall: 687.844, 0.00297405/step, 3.94045 hours remaining, 205.921875 MB of memory in use. ENERGY: 230200 750.1977 2092.2452 1935.6589 111.4661 -205525.3110 17395.3778 0.0000 0.0000 34171.3147 -149069.0505 298.4266 -183240.3653 -148968.1390 300.0694 -256.1530 -225.9673 558342.0128 -6.0868 -6.1284 PRESSURE: 230400 271.824 18.4879 189.193 18.4864 32.0725 25.0968 189.193 25.0969 -133.401 GPRESSURE: 230400 308.043 -13.1462 182.21 64.5665 26.4802 89.966 70.4066 -51.3088 -82.5903 PRESSAVG: 230400 -1.91155 35.6979 21.2935 35.6978 -60.9003 12.8107 21.2936 12.8107 43.8547 GPRESSAVG: 230400 -0.884771 37.8404 22.2182 33.8292 -63.0042 14.2058 19.6061 11.195 45.0069 TIMING: 230400 CPU: 688.447, 0.00301224/step Wall: 688.447, 0.00301224/step, 3.99089 hours remaining, 205.921875 MB of memory in use. ENERGY: 230400 726.9144 2147.1779 1950.0821 121.2186 -205892.0549 17831.1804 0.0000 0.0000 34401.8333 -148713.6482 300.4398 -183115.4815 -148615.4563 300.4275 56.8319 83.9777 557927.5702 -6.3191 -6.2940 PRESSURE: 230600 14.7858 -108.431 174.941 -108.431 -105.091 -129.636 174.942 -129.637 -8.9991 GPRESSURE: 230600 7.24632 -214.112 175.986 -82.4297 4.69852 -180.628 206.588 -94.0561 -15.7442 PRESSAVG: 230600 49.6705 -13.9039 37.053 -13.9039 -18.0398 -0.784581 37.0529 -0.784634 -33.2829 GPRESSAVG: 230600 50.0799 -13.5103 36.5222 -14.6275 -18.1839 -0.0634622 37.196 0.0399543 -33.343 TIMING: 230600 CPU: 689.041, 0.00297239/step Wall: 689.041, 0.00297239/step, 3.93792 hours remaining, 205.921875 MB of memory in use. ENERGY: 230600 719.1594 2080.8756 1925.8563 111.9382 -205512.5403 17573.0583 0.0000 0.0000 34354.9144 -148746.7381 300.0300 -183101.6525 -148642.3025 300.5427 -33.1014 -1.2665 559062.5693 -0.5507 -0.4823 PRESSURE: 230800 49.0864 -150.567 -64.1276 -150.568 -41.9283 59.4345 -64.1268 59.4345 116.965 GPRESSURE: 230800 48.7989 -156.337 -42.3446 -204.935 58.8372 -5.33709 -26.5666 85.9684 105.094 PRESSAVG: 230800 38.3701 -24.8058 -0.275482 -24.8057 -15.4394 -26.4202 -0.275495 -26.4201 -81.1989 GPRESSAVG: 230800 35.4782 -25.7342 -0.32691 -23.3511 -13.6353 -27.437 -0.161355 -26.9851 -81.1743 TIMING: 230800 CPU: 689.64, 0.00299526/step Wall: 689.64, 0.00299526/step, 3.96806 hours remaining, 205.921875 MB of memory in use. ENERGY: 230800 725.9981 2085.0174 1917.7567 104.8057 -205840.3514 17737.7193 0.0000 0.0000 34322.6377 -148946.4164 299.7481 -183269.0541 -148841.5541 300.0383 41.3744 70.9101 556861.3859 -19.4227 -19.7771 PRESSURE: 231000 -223.193 51.479 -40.9816 51.4796 -134.506 64.1954 -40.9837 64.1962 -243.956 GPRESSURE: 231000 -163.714 10.3982 -61.9191 -12.7142 -126.108 57.1815 3.57894 71.5425 -212.936 PRESSAVG: 231000 57.1226 -10.5612 -27.8803 -10.5613 -3.94067 47.2184 -27.8803 47.2184 -31.141 GPRESSAVG: 231000 59.2473 -10.4834 -27.8649 -11.8692 -4.97761 45.4203 -26.9479 46.3801 -32.0214 TIMING: 231000 CPU: 690.238, 0.00299127/step Wall: 690.238, 0.00299127/step, 3.9626 hours remaining, 205.921875 MB of memory in use. ENERGY: 231000 728.8125 2099.1846 1979.6306 112.0552 -205389.1104 17322.6913 0.0000 0.0000 34348.1538 -148798.5822 299.9710 -183146.7361 -148701.8499 300.1700 -200.5517 -167.5861 557597.9017 7.3470 7.4161 PRESSURE: 231200 -48.8932 25.4635 127.273 25.4649 10.3302 219.039 127.273 219.039 -262.919 GPRESSURE: 231200 -43.5885 -16.5792 136.367 2.35618 75.0464 229.623 134.525 99.1001 -227.429 PRESSAVG: 231200 24.4815 -0.214184 23.9189 -0.214102 14.3738 25.2827 23.9188 25.2827 -1.63701 GPRESSAVG: 231200 23.8065 -0.605174 23.4661 1.94898 14.8017 28.4941 22.5198 26.7903 -0.738383 TIMING: 231200 CPU: 690.834, 0.00297797/step Wall: 690.834, 0.00297797/step, 3.94482 hours remaining, 205.921875 MB of memory in use. ENERGY: 231200 707.7529 2069.2794 1916.6533 116.2751 -205710.3464 17446.7372 0.0000 0.0000 34542.1501 -148911.4984 301.6652 -183453.6485 -148814.3477 300.1147 -100.4942 -65.3239 558507.1019 12.4061 12.6233 PRESSURE: 231400 -37.2315 76.0056 106.984 76.0058 183.492 83.4647 106.985 83.4652 -2.21957 GPRESSURE: 231400 4.43927 -1.9639 125.329 25.2728 229.178 114.81 96.3503 49.135 2.66624 PRESSAVG: 231400 5.55293 18.9212 37.6779 18.9211 38.1884 40.7192 37.6779 40.7193 -83.2465 GPRESSAVG: 231400 5.60858 19.0819 38.2419 19.7779 38.6096 40.1812 36.4582 40.3348 -83.7217 TIMING: 231400 CPU: 691.43, 0.00298255/step Wall: 691.43, 0.00298255/step, 3.95072 hours remaining, 205.921875 MB of memory in use. ENERGY: 231400 722.6627 2108.9004 1962.7828 112.1760 -206094.2393 17941.9326 0.0000 0.0000 34470.6318 -148775.1531 301.0406 -183245.7850 -148676.2332 300.5880 48.0135 78.7612 557855.6901 -13.1684 -13.1679 PRESSURE: 231600 -148.077 130.78 65.8527 130.779 -429.509 -116.449 65.853 -116.448 75.6535 GPRESSURE: 231600 -83.5238 38.8963 86.7902 155.224 -403.992 -57.7543 -22.9542 -85.0347 78.4574 PRESSAVG: 231600 -14.645 26.5908 1.17774 26.5908 57.7312 -38.675 1.1777 -38.6751 -30.5187 GPRESSAVG: 231600 -14.73 25.4053 0.138592 25.923 57.7534 -38.4433 2.18187 -38.9162 -30.4966 TIMING: 231600 CPU: 692.026, 0.00297562/step Wall: 692.026, 0.00297562/step, 3.94137 hours remaining, 205.921875 MB of memory in use. ENERGY: 231600 720.6809 2111.3030 1950.9967 119.4708 -205446.6634 17356.9311 0.0000 0.0000 34322.9373 -148864.3436 299.7507 -183187.2809 -148766.6937 300.8326 -167.3109 -136.3529 559401.0298 4.1892 4.1756 PRESSURE: 231800 14.3798 -98.9631 -64.3566 -98.9633 163.076 39.0171 -64.3567 39.0183 -85.3988 GPRESSURE: 231800 78.3166 27.4208 -82.2794 -85.544 220.517 -5.93497 -3.06099 33.7186 -112.782 PRESSAVG: 231800 25.0997 24.1125 1.2771 24.1125 -21.0347 4.45811 1.2771 4.45807 33.0558 GPRESSAVG: 231800 25.2843 24.2718 0.779489 23.3939 -21.9029 5.04051 3.60904 3.09594 33.233 TIMING: 231800 CPU: 692.622, 0.00298076/step Wall: 692.622, 0.00298076/step, 3.94801 hours remaining, 205.921875 MB of memory in use. ENERGY: 231800 754.5173 2115.3898 1947.2642 113.5925 -206155.9811 17915.4047 0.0000 0.0000 34445.7766 -148864.0360 300.8235 -183309.8126 -148764.2094 300.7805 30.6857 62.0171 558723.0195 12.3736 12.2048 PRESSURE: 232000 108.737 -198.485 -59.9767 -198.484 -58.0317 -159.626 -59.977 -159.628 139.525 GPRESSURE: 232000 105.879 -149.639 12.1101 -186.841 -18.336 -150.941 -87.7631 -161.45 200.774 PRESSAVG: 232000 12.1226 -17.1375 9.32291 -17.1376 -10.7412 -3.36785 9.32296 -3.3678 10.7338 GPRESSAVG: 232000 13.2834 -17.0566 10.6058 -18.0046 -10.8845 -4.75854 10.0121 -2.93857 10.1345 TIMING: 232000 CPU: 693.219, 0.00298831/step Wall: 693.219, 0.00298831/step, 3.95785 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: 232000 805.0338 2106.0665 1948.5317 107.8415 -205857.2029 17801.5410 0.0000 0.0000 34128.5398 -148959.6485 298.0530 -183088.1884 -148869.3931 300.0462 63.4101 96.1055 558050.2528 4.0384 4.1778 PRESSURE: 232200 -75.276 155.283 -37.3238 155.281 17.7138 4.53824 -37.3238 4.5366 187.878 GPRESSURE: 232200 -7.85693 108.716 -163.303 139.16 41.01 -14.3529 -104.992 -22.9141 198.258 PRESSAVG: 232200 -40.4354 1.27409 -63.4083 1.27416 2.78637 -3.24441 -63.4084 -3.24436 4.27801 GPRESSAVG: 232200 -41.2576 0.443248 -62.9467 1.44849 3.69553 -4.63437 -65.2681 -2.88208 3.67806 TIMING: 232200 CPU: 693.817, 0.00298925/step Wall: 693.817, 0.00298925/step, 3.95892 hours remaining, 205.921875 MB of memory in use. ENERGY: 232200 692.9691 2109.1947 1958.2926 110.7480 -205780.1998 17707.2915 0.0000 0.0000 34327.7260 -148873.9780 299.7926 -183201.7040 -148775.3035 299.9876 43.4386 77.1369 557260.5173 -11.1237 -11.2947 LDB: ============= START OF LOAD BALANCING ============== 697.331 LDB: ============== END OF LOAD BALANCING =============== 697.331 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 697.332 LDB: ============= START OF LOAD BALANCING ============== 697.628 LDB: Largest compute 4773 load 0.028256 is 24.0% of average load 0.117845 LDB: Average compute 0.001723 is 1.5% of average load 0.117845 LDB: TIME 697.63 LOAD: AVG 0.117845 MAX 0.208386 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.316 MB LDB: TIME 697.631 LOAD: AVG 0.117845 MAX 0.208386 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.316 MB LDB: TIME 697.631 LOAD: AVG 0.117845 MAX 0.208386 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.316 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 697.632 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 697.637 PRESSURE: 232400 -211.474 -41.2767 0.697125 -41.2767 197.971 129.749 0.69701 129.749 -366.756 GPRESSURE: 232400 -168.804 -12.512 -42.4343 -35.2928 195.5 45.3247 24.6052 187.32 -313.86 PRESSAVG: 232400 -26.3851 -30.9918 2.07722 -30.9917 -20.9978 -1.29582 2.07712 -1.29577 53.6729 GPRESSAVG: 232400 -26.0613 -28.3533 1.06664 -32.6065 -22.4716 0.534449 3.35999 -1.01637 54.8199 TIMING: 232400 CPU: 694.42, 0.00301455/step Wall: 694.42, 0.00301455/step, 3.99227 hours remaining, 205.460938 MB of memory in use. ENERGY: 232400 724.3341 2067.4031 1941.2148 120.5520 -205604.7576 17521.9244 0.0000 0.0000 34374.1841 -148855.1452 300.1983 -183229.3293 -148754.8216 300.3506 -126.7529 -95.7212 557910.3999 2.0967 2.0957 PRESSURE: 232600 -25.2651 -40.0651 -132.516 -40.0664 34.4267 34.288 -132.517 34.2875 -43.1207 GPRESSURE: 232600 7.77826 -19.3346 -133.233 -71.3065 -23.0463 75.0869 -112.466 -76.6094 84.3532 PRESSAVG: 232600 28.1974 -13.0941 -22.1338 -13.094 -10.4326 -2.00117 -22.1339 -2.00102 -1.71821 GPRESSAVG: 232600 26.9307 -12.5092 -21.4387 -13.8064 -10.0678 -2.33115 -22.8205 -2.40798 -0.798297 TIMING: 232600 CPU: 695.019, 0.00299189/step Wall: 695.019, 0.00299189/step, 3.9621 hours remaining, 205.906250 MB of memory in use. ENERGY: 232600 734.2336 2084.1952 1946.4388 109.2411 -205930.6265 17821.4626 0.0000 0.0000 34328.9867 -148906.0685 299.8036 -183235.0552 -148807.5230 300.0875 -11.3197 23.0284 557635.9948 5.3489 5.3549 PRESSURE: 232800 150.517 -109.836 -3.02137 -109.835 139.922 35.3109 -3.02184 35.3099 72.448 GPRESSURE: 232800 153.5 -90.0947 -3.03557 -65.912 227.135 14.4022 -22.6219 61.7801 77.5803 PRESSAVG: 232800 52.3908 -59.4846 -37.801 -59.4847 8.689 -13.5602 -37.801 -13.5601 -22.0136 GPRESSAVG: 232800 53.5118 -62.5975 -40.376 -56.5513 8.42154 -12.3505 -36.7845 -12.5134 -22.6561 TIMING: 232800 CPU: 695.619, 0.00300237/step Wall: 695.619, 0.00300237/step, 3.9758 hours remaining, 205.906250 MB of memory in use. ENERGY: 232800 732.8200 2118.6004 1942.0084 110.7339 -206200.6684 17942.2750 0.0000 0.0000 34374.2566 -148979.9740 300.1989 -183354.2306 -148887.3315 300.0352 120.9623 152.7385 556659.1033 13.0220 13.0924 PRESSURE: 233000 -249.847 -71.0822 115.001 -71.0825 220.275 -63.5987 115.001 -63.5981 -326.348 GPRESSURE: 233000 -154.771 -111.798 100.59 1.60366 232.745 -39.2827 82.8288 -50.5745 -341.314 PRESSAVG: 233000 30.6945 33.6397 -52.1035 33.6397 -18.2939 -32.2294 -52.1035 -32.2295 -23.1012 GPRESSAVG: 233000 31.4836 35.1735 -50.5341 32.241 -18.3796 -34.1306 -51.9424 -32.6882 -24.4011 TIMING: 233000 CPU: 696.219, 0.00300035/step Wall: 696.219, 0.00300035/step, 3.97296 hours remaining, 205.906250 MB of memory in use. ENERGY: 233000 725.9376 2122.4627 1975.2096 112.3052 -205597.2527 17471.1969 0.0000 0.0000 34148.5848 -149041.5560 298.2281 -183190.1408 -148948.2026 299.3462 -118.6399 -87.7796 557774.6846 -3.5669 -3.7657 PRESSURE: 233200 -51.3427 64.4854 -93.57 64.4877 -177.951 162.807 -93.5707 162.809 86.7304 GPRESSURE: 233200 -20.2746 18.519 -134.722 102.968 -159.895 183.911 -126.313 156.959 137.611 PRESSAVG: 233200 50.6357 1.90137 -24.2846 1.90138 -12.2321 -51.7912 -24.2845 -51.7912 -38.9285 GPRESSAVG: 233200 49.9323 1.65669 -24.2423 2.46933 -12.018 -50.7863 -27.9022 -52.3079 -38.1211 TIMING: 233200 CPU: 696.818, 0.00299255/step Wall: 696.818, 0.00299255/step, 3.96247 hours remaining, 205.906250 MB of memory in use. ENERGY: 233200 757.3798 2071.1836 1946.1970 112.5627 -205983.2409 17744.5519 0.0000 0.0000 34236.9699 -149114.3960 299.0000 -183351.3659 -149025.0528 298.9360 -47.5212 -14.1863 557308.5805 -0.1749 -0.0689 PRESSURE: 233400 -89.0745 26.2728 -63.3526 26.2724 -281.064 -123.23 -63.3512 -123.229 138.832 GPRESSURE: 233400 -13.447 -30.8783 -79.2776 26.7001 -239.241 -18.7783 -35.7085 -163.886 117.034 PRESSAVG: 233400 -10.2018 -21.1827 -80.4226 -21.1827 42.4859 -46.2981 -80.4226 -46.2981 20.2695 GPRESSAVG: 233400 -10.6384 -20.8802 -82.1514 -21.883 42.1556 -47.0078 -77.1027 -46.0687 20.9818 TIMING: 233400 CPU: 697.408, 0.00295373/step Wall: 697.408, 0.00295373/step, 3.91091 hours remaining, 205.906250 MB of memory in use. ENERGY: 233400 695.5182 2050.3217 1969.9153 122.5445 -205799.8912 17558.8547 0.0000 0.0000 34365.8903 -149036.8466 300.1259 -183402.7369 -148939.1680 299.7840 -77.1020 -45.2181 557364.8476 17.5179 17.4997 PRESSURE: 233600 -49.7602 104.233 -69.9356 104.233 -36.4997 148.337 -69.9362 148.336 -19.66 GPRESSURE: 233600 22.6735 137.233 -76.4671 -54.5834 -4.70059 220.729 -6.20841 95.7611 -28.008 PRESSAVG: 233600 -32.2078 50.4624 -33.3303 50.4624 -45.7807 -37.5653 -33.3303 -37.5654 36.0126 GPRESSAVG: 233600 -32.1186 51.3813 -31.9044 50.2942 -45.7085 -37.2732 -35.0203 -35.713 36.1418 TIMING: 233600 CPU: 698.002, 0.00296826/step Wall: 698.002, 0.00296826/step, 3.92998 hours remaining, 205.906250 MB of memory in use. ENERGY: 233600 733.9416 2086.4624 1966.3117 113.3440 -205976.8444 17649.3264 0.0000 0.0000 34325.0767 -149102.3816 299.7694 -183427.4583 -149002.1803 299.8547 -35.3066 -3.3450 557393.5137 -13.9920 -13.8951 PRESSURE: 233800 231.181 156.646 -133.592 156.646 -17.7078 -50.847 -133.594 -50.8475 94.0783 GPRESSURE: 233800 228.138 188.166 -206.876 177.079 10.7469 -122.297 -242.07 -141.251 159.032 PRESSAVG: 233800 9.4697 11.3719 10.7912 11.3718 -56.493 -10.7125 10.7913 -10.7123 36.5242 GPRESSAVG: 233800 9.01164 9.14489 11.736 12.3774 -56.5784 -9.35491 11.3735 -12.8146 37.0924 TIMING: 233800 CPU: 698.603, 0.00300606/step Wall: 698.603, 0.00300606/step, 3.97985 hours remaining, 205.906250 MB of memory in use. ENERGY: 233800 738.8493 2094.7370 1951.9878 105.0054 -206354.1723 17987.7850 0.0000 0.0000 34440.8234 -149034.9843 300.7803 -183475.8077 -148936.8930 300.2138 102.5170 132.6389 556529.8028 -3.4997 -3.4915 PRESSURE: 234000 -98.3881 66.9901 65.8915 66.9906 -25.1679 -24.8979 65.891 -24.898 -13.1878 GPRESSURE: 234000 -41.729 118.152 47.8279 2.43139 -26.8517 -133.957 42.4376 -0.91695 36.3647 PRESSAVG: 234000 60.4263 -41.7099 -51.5856 -41.7099 -81.229 -22.962 -51.5856 -22.962 -18.9972 GPRESSAVG: 234000 61.9234 -39.2453 -51.33 -40.7088 -81.4305 -24.1714 -51.9363 -22.0688 -20.5035 TIMING: 234000 CPU: 699.2, 0.00298452/step Wall: 699.2, 0.00298452/step, 3.95117 hours remaining, 205.906250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 234000 738.0409 2036.8864 1944.0369 114.1382 -206131.8025 17770.8256 0.0000 0.0000 34323.0103 -149204.8644 299.7514 -183527.8747 -149108.7146 299.3709 -45.5813 -10.7387 558533.1785 -13.2666 -13.3369 PRESSURE: 234200 129.558 -77.7025 -53.8304 -77.7033 109.659 -91.437 -53.8295 -91.4356 -78.447 GPRESSURE: 234200 144.636 -69.0799 -166.281 -121.148 196.385 -38.2594 -20.0874 -84.9767 -85.0096 PRESSAVG: 234200 -2.62372 46.0912 -23.2137 46.0913 -19.7062 7.87493 -23.2137 7.87491 55.1987 GPRESSAVG: 234200 -3.44248 45.8325 -24.0576 44.2064 -19.6703 8.56767 -22.5845 8.35736 55.8374 TIMING: 234200 CPU: 699.796, 0.00297981/step Wall: 699.796, 0.00297981/step, 3.94477 hours remaining, 205.906250 MB of memory in use. ENERGY: 234200 720.2527 2155.1897 1961.1570 120.5764 -206329.2394 17833.4101 0.0000 0.0000 34269.3793 -149269.2741 299.2830 -183538.6535 -149167.9104 299.6583 53.5900 85.3371 557419.2496 10.9563 10.9082 PRESSURE: 234400 -143.788 79.9917 -67.3109 79.9918 51.728 85.8082 -67.3111 85.8067 60.5856 GPRESSURE: 234400 -122.646 158.056 -42.6593 74.1623 95.4247 126.251 -99.2793 106.014 90.3971 PRESSAVG: 234400 -4.81042 -30.1871 41.4242 -30.1871 40.0843 65.7183 41.4243 65.7184 -26.5675 GPRESSAVG: 234400 -4.96218 -28.3659 40.9822 -30.7344 39.8094 66.6758 41.6946 66.4268 -26.4952 TIMING: 234400 CPU: 700.399, 0.00301245/step Wall: 700.399, 0.00301245/step, 3.98782 hours remaining, 205.906250 MB of memory in use. ENERGY: 234400 750.5357 2164.2477 1934.5563 106.8632 -206340.3457 17804.7886 0.0000 0.0000 34289.8646 -149289.4895 299.4619 -183579.3541 -149185.3929 298.7650 -10.4915 21.0586 558081.9208 2.9021 2.7840 PRESSURE: 234600 259.114 -68.43 52.9727 -68.4307 50.3341 5.88968 52.9732 5.88869 0.792914 GPRESSURE: 234600 281.112 -3.09931 111.373 -137.328 111.103 -7.31356 61.5976 4.63494 16.4859 PRESSAVG: 234600 -86.7919 -6.75596 24.0634 -6.75592 50.2119 88.6604 24.0634 88.6603 38.6608 GPRESSAVG: 234600 -87.7902 -8.90386 23.0259 -6.48549 50.5251 85.9516 24.9632 88.2301 39.355 TIMING: 234600 CPU: 700.997, 0.00299249/step Wall: 700.997, 0.00299249/step, 3.96123 hours remaining, 205.906250 MB of memory in use. ENERGY: 234600 752.9577 2050.9420 1958.8009 111.3946 -206292.1208 18027.0790 0.0000 0.0000 34204.7978 -149186.1489 298.7190 -183390.9467 -149090.7349 298.8024 103.4135 136.2335 558170.1334 0.6936 0.6967 PRESSURE: 234800 -114.355 109.661 38.8925 109.661 -3.12664 99.3032 38.8918 99.3034 -14.3072 GPRESSURE: 234800 -126.831 81.6749 -31.6462 197.157 20.9277 22.0241 -17.9429 37.2534 72.3682 PRESSAVG: 234800 -5.27785 -32.2762 -17.1801 -32.2761 -33.5091 29.6104 -17.1801 29.6104 30.416 GPRESSAVG: 234800 -4.32885 -31.9151 -17.1062 -31.5416 -34.0454 31.0593 -17.6982 28.1585 29.932 TIMING: 234800 CPU: 701.588, 0.00295498/step Wall: 701.588, 0.00295498/step, 3.91141 hours remaining, 205.906250 MB of memory in use. ENERGY: 234800 710.1546 2132.3956 1931.2066 105.2692 -206130.4752 17823.4155 0.0000 0.0000 34189.7297 -149238.3039 298.5874 -183428.0336 -149136.6716 299.4278 -43.9296 -11.1782 558867.4094 -2.7903 -2.8141 PRESSURE: 235000 -245.641 -103.869 -0.134701 -103.868 -185.006 2.00659 -0.134849 2.00786 -91.0039 GPRESSURE: 235000 -228.245 -137.342 -89.9095 31.3423 -173.06 81.0902 -6.8917 17.9234 -21.1282 PRESSAVG: 235000 -59.1381 19.8041 -25.3257 19.8041 78.1163 24.6249 -25.3257 24.625 4.30113 GPRESSAVG: 235000 -59.2418 17.6379 -23.251 20.2882 78.8297 25.4668 -27.579 24.7593 3.35843 TIMING: 235000 CPU: 702.19, 0.00301183/step Wall: 702.19, 0.00301183/step, 3.98649 hours remaining, 205.906250 MB of memory in use. ENERGY: 235000 752.7688 2092.0987 1956.6351 124.1940 -205949.3634 17590.2934 0.0000 0.0000 34197.7081 -149235.6652 298.6571 -183433.3734 -149143.9050 299.2280 -173.8837 -140.8110 557795.8670 7.7598 7.6488 PRESSURE: 235200 -196.062 -53.0073 247.33 -53.0064 -308.756 12.5947 247.332 12.5945 -181.156 GPRESSURE: 235200 -195.035 -93.4725 226.434 -37.718 -287.348 37.957 251.925 22.3102 -103.224 PRESSAVG: 235200 -29.0369 -23.414 27.6252 -23.4141 -1.56647 28.9893 27.6252 28.9893 54.4876 GPRESSAVG: 235200 -29.0377 -22.8406 23.8608 -21.8047 -2.14401 28.6708 31.2631 31.6533 54.7059 TIMING: 235200 CPU: 702.792, 0.00300606/step Wall: 702.792, 0.00300606/step, 3.97869 hours remaining, 205.906250 MB of memory in use. ENERGY: 235200 775.6279 2068.9055 1955.4457 115.0640 -206021.1885 17522.8038 0.0000 0.0000 34514.1844 -149069.1572 301.4210 -183583.3417 -148971.5519 299.4085 -228.6580 -195.2024 557275.6308 7.9614 7.8414 PRESSURE: 235400 -292.399 -28.2726 -144.614 -28.2718 91.3187 -83.4184 -144.613 -83.418 13.1141 GPRESSURE: 235400 -251.219 -80.057 -110.001 7.94295 127.567 -79.62 -89.7132 -38.2941 31.1684 PRESSAVG: 235400 -36.3802 2.83189 -53.7994 2.83187 13.4005 -8.62781 -53.7993 -8.62795 47.9964 GPRESSAVG: 235400 -36.8463 2.97058 -51.007 0.303595 12.8804 -9.15197 -55.4424 -9.69477 48.5466 TIMING: 235400 CPU: 703.395, 0.0030147/step Wall: 703.395, 0.0030147/step, 3.98996 hours remaining, 205.906250 MB of memory in use. ENERGY: 235400 775.8250 2150.5257 1951.1471 114.9331 -206162.7367 17669.3058 0.0000 0.0000 34382.6148 -149118.3852 300.2719 -183500.9999 -149017.6653 300.1574 -62.6555 -30.8278 556236.6668 8.3389 8.1936 PRESSURE: 235600 -284.476 200.6 -125.302 200.599 24.3881 -37.5929 -125.302 -37.592 -231.295 GPRESSURE: 235600 -263.116 191.78 -158.381 156.948 44.0663 8.83741 -64.665 -35.5496 -173.952 PRESSAVG: 235600 1.88737 -14.9684 51.9148 -14.9684 96.7538 17.4929 51.9148 17.4929 -42.2165 GPRESSAVG: 235600 1.69817 -14.8309 50.8806 -13.3657 97.4013 18.1601 52.1107 19.1 -42.9794 TIMING: 235600 CPU: 703.995, 0.00300113/step Wall: 703.995, 0.00300113/step, 3.97182 hours remaining, 205.906250 MB of memory in use. ENERGY: 235600 752.5015 2135.8066 1922.4126 105.7897 -205893.0428 17438.2945 0.0000 0.0000 34512.8533 -149025.3847 301.4093 -183538.2379 -148929.8744 300.3221 -163.7942 -131.0006 557515.4590 18.8082 18.7067 PRESSURE: 235800 162.641 332.948 203.385 332.948 -65.9418 16.4155 203.385 16.4152 -78.8177 GPRESSURE: 235800 202.629 325.452 160.09 337.301 -71.3166 51.5605 161.258 -13.4693 -24.5412 PRESSAVG: 235800 -0.594479 40.339 31.3979 40.339 34.4059 69.0708 31.398 69.0708 -48.0972 GPRESSAVG: 235800 -1.58469 37.7205 31.5488 39.7494 32.8773 68.0837 30.3368 67.8438 -46.2439 TIMING: 235800 CPU: 704.589, 0.00297048/step Wall: 704.589, 0.00297048/step, 3.9311 hours remaining, 205.906250 MB of memory in use. ENERGY: 235800 741.1871 2065.5939 1937.3230 111.3678 -206003.0934 17796.2423 0.0000 0.0000 34367.1209 -148984.2584 300.1366 -183351.3793 -148886.6904 300.3842 5.9604 35.5906 557416.8328 -4.7619 -4.9838 PRESSURE: 236000 -183.902 -258.772 222.16 -258.772 141.215 99.3932 222.16 99.3919 -361.724 GPRESSURE: 236000 -223.338 -189.045 182.729 -191.081 223.212 102.064 190.136 117.884 -313.734 PRESSAVG: 236000 27.0187 5.17568 68.035 5.17562 7.16616 32.7938 68.0351 32.7939 -43.0574 GPRESSAVG: 236000 26.5432 7.10725 69.2824 6.60046 9.15602 32.1494 69.8162 32.4862 -44.4448 TIMING: 236000 CPU: 705.185, 0.00298223/step Wall: 705.185, 0.00298223/step, 3.94648 hours remaining, 205.906250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 236000 769.2565 2083.8033 1917.5619 95.7973 -205454.6050 17453.8586 0.0000 0.0000 34392.4934 -148741.8339 300.3582 -183134.3273 -148643.1349 300.2259 -134.8039 -104.6197 556474.3012 -2.9575 -2.9152 PRESSURE: 236200 270.243 64.1231 18.2024 64.1219 141.93 151.769 18.2028 151.767 90.3403 GPRESSURE: 236200 281.767 62.5282 -2.61089 82.3137 165.966 116.113 -17.3506 247.15 135.2 PRESSAVG: 236200 -5.3502 -50.5145 -0.675858 -50.5146 -42.3143 -0.125233 -0.67571 -0.125189 51.365 GPRESSAVG: 236200 -4.74831 -50.6595 -1.62819 -50.9511 -43.0041 1.25421 -2.90618 -1.58657 51.0803 TIMING: 236200 CPU: 705.78, 0.00297457/step Wall: 705.78, 0.00297457/step, 3.93619 hours remaining, 205.906250 MB of memory in use. ENERGY: 236200 746.2672 2159.0954 1939.9796 109.8404 -205787.1428 17804.3177 0.0000 0.0000 34352.8350 -148674.8075 300.0119 -183027.6425 -148582.2129 300.8083 167.5043 194.3110 556094.5654 1.2335 1.1093 LDB: ============= START OF LOAD BALANCING ============== 709.297 LDB: ============== END OF LOAD BALANCING =============== 709.297 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 709.299 LDB: ============= START OF LOAD BALANCING ============== 709.598 LDB: Largest compute 4773 load 0.028936 is 24.5% of average load 0.117867 LDB: Average compute 0.001729 is 1.5% of average load 0.117867 LDB: TIME 709.601 LOAD: AVG 0.117867 MAX 0.209326 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.719 MB LDB: TIME 709.601 LOAD: AVG 0.117867 MAX 0.209326 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.922 MB LDB: TIME 709.601 LOAD: AVG 0.117867 MAX 0.209326 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.922 MB LDB: ============== END OF LOAD BALANCING =============== 709.603 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 709.607 PRESSURE: 236400 -322.891 -83.7338 14.1376 -83.7334 -232.12 -117.603 14.1369 -117.602 -194.983 GPRESSURE: 236400 -271.681 -35.7125 51.6366 -138.264 -238.259 -112.674 75.4986 -133.923 -143.126 PRESSAVG: 236400 7.65263 2.11968 -31.8067 2.11964 -44.7501 -25.7283 -31.8068 -25.7283 34.2867 GPRESSAVG: 236400 8.01759 2.72559 -31.6678 -0.429716 -46.4445 -27.785 -30.9458 -24.258 35.2151 TIMING: 236400 CPU: 706.39, 0.0030507/step Wall: 706.39, 0.0030507/step, 4.03675 hours remaining, 205.519531 MB of memory in use. ENERGY: 236400 771.1704 2064.4535 1916.0191 104.3756 -205275.1638 17359.3523 0.0000 0.0000 34195.8149 -148863.9781 298.6406 -183059.7930 -148772.6549 300.3268 -249.9983 -217.6885 558996.3421 -0.9369 -1.0706 PRESSURE: 236600 14.4163 -19.2674 190.401 -19.2672 -4.17943 -165.105 190.401 -165.105 109.111 GPRESSURE: 236600 2.04908 23.8041 234.203 60.2863 61.002 -135.87 80.7172 -130.236 153.339 PRESSAVG: 236600 -98.0762 -31.8641 13.7976 -31.8641 4.19266 -19.6849 13.7976 -19.6847 93.6668 GPRESSAVG: 236600 -97.3832 -30.558 14.4671 -29.1895 5.0609 -17.6796 13.3955 -20.5484 92.72 TIMING: 236600 CPU: 706.988, 0.00298787/step Wall: 706.988, 0.00298787/step, 3.95345 hours remaining, 205.722656 MB of memory in use. ENERGY: 236600 752.3708 2063.8350 1913.9226 107.9432 -206185.6690 17866.9303 0.0000 0.0000 34537.9041 -148942.7630 301.6281 -183480.6671 -148847.5386 300.6457 39.7826 72.1302 558053.6588 -0.0722 0.1326 PRESSURE: 236800 166.955 -75.0654 -6.12499 -75.0642 134.216 24.4762 -6.12519 24.4744 -10.619 GPRESSURE: 236800 240.542 -71.5722 15.558 -74.4042 110.184 16.8001 -83.2506 31.7011 26.2295 PRESSAVG: 236800 -10.0988 -4.36105 -19.2252 -4.36099 -22.2745 -1.35215 -19.2251 -1.35212 24.2095 GPRESSAVG: 236800 -9.49111 -4.61192 -22.0555 -4.73326 -22.6491 -1.08341 -18.1323 -0.659951 23.7894 TIMING: 236800 CPU: 707.586, 0.00298886/step Wall: 707.586, 0.00298886/step, 3.95459 hours remaining, 205.722656 MB of memory in use. ENERGY: 236800 734.3799 2092.6516 1933.6432 119.7985 -205789.1441 17763.5033 0.0000 0.0000 34200.9792 -148944.1885 298.6857 -183145.1677 -148849.4230 300.6900 96.8506 125.6517 558377.8452 -2.7212 -2.7836 PRESSURE: 237000 130.487 -191.193 180.324 -191.192 -154.345 13.5659 180.325 13.564 -295.603 GPRESSURE: 237000 134.325 -266.546 267.892 -150.853 -106.637 9.3828 165.952 -19.4212 -248.069 PRESSAVG: 237000 58.9604 -23.8099 21.5091 -23.81 -60.4129 29.9967 21.5091 29.9966 -55.0928 GPRESSAVG: 237000 58.4266 -23.8257 23.1497 -24.45 -60.0504 31.101 21.7041 28.7002 -55.1648 TIMING: 237000 CPU: 708.187, 0.00300452/step Wall: 708.187, 0.00300452/step, 3.97515 hours remaining, 205.722656 MB of memory in use. ENERGY: 237000 754.1617 2078.7166 1927.7130 123.3098 -205753.8728 17631.6009 0.0000 0.0000 34276.8404 -148961.5305 299.3482 -183238.3709 -148861.8065 300.3706 -106.4871 -73.4603 557695.8862 -18.8484 -18.9295 PRESSURE: 237200 -1.82194 -131.868 -116.026 -131.868 -276.159 182.908 -116.027 182.909 -90.9956 GPRESSURE: 237200 0.29227 -102.268 -151.652 -68.9654 -210.204 211.919 -162.587 144.375 -50.0896 PRESSAVG: 237200 24.9391 -39.918 16.3198 -39.9181 -74.2667 -20.3836 16.3198 -20.3836 55.7687 GPRESSAVG: 237200 24.9942 -38.6307 16.1486 -40.8784 -74.5063 -22.5906 15.2354 -19.8566 56.1123 TIMING: 237200 CPU: 708.791, 0.00302221/step Wall: 708.791, 0.00302221/step, 3.99838 hours remaining, 205.722656 MB of memory in use. ENERGY: 237200 740.0599 2068.4855 1924.3714 112.1469 -205796.7927 17532.4509 0.0000 0.0000 34326.4709 -149092.8072 299.7816 -183419.2780 -148986.7817 299.8228 -122.9921 -86.6670 557413.3566 2.1470 2.2001 PRESSURE: 237400 469.955 170.048 -83.5995 170.048 77.8103 82.8707 -83.6005 82.8687 180.618 GPRESSURE: 237400 419.12 99.9235 -4.1589 175.018 171.491 7.76349 -43.8845 126.886 238.794 PRESSAVG: 237400 22.1219 -55.4153 13.2307 -55.4153 -37.4603 5.63011 13.2306 5.63017 26.853 GPRESSAVG: 237400 21.1727 -56.3731 15.5147 -55.7143 -36.307 5.15405 13.9575 6.14182 26.6734 TIMING: 237400 CPU: 709.398, 0.0030342/step Wall: 709.398, 0.0030342/step, 4.01408 hours remaining, 205.722656 MB of memory in use. ENERGY: 237400 716.7542 2132.8514 1931.9769 106.6347 -206391.1782 18102.9021 0.0000 0.0000 34315.9289 -149084.1300 299.6895 -183400.0588 -148991.1116 300.0327 242.7945 276.4685 556790.6595 3.8382 3.8463 PRESSURE: 237600 -62.3928 211.182 92.15 211.182 76.9829 104.006 92.1513 104.007 -28.521 GPRESSURE: 237600 -94.1653 255.418 100.533 196.66 91.8813 139.95 98.9899 129.836 80.2647 PRESSAVG: 237600 0.657451 -0.287117 19.8227 -0.28718 -31.109 -23.5729 19.8227 -23.573 27.3913 GPRESSAVG: 237600 0.740879 1.18468 18.6531 0.44422 -31.9878 -24.5062 18.5403 -23.7322 28.0739 TIMING: 237600 CPU: 709.999, 0.00300732/step Wall: 709.999, 0.00300732/step, 3.97835 hours remaining, 205.722656 MB of memory in use. ENERGY: 237600 764.5850 2064.9924 1912.1510 111.6911 -206165.2922 17806.3243 0.0000 0.0000 34278.9993 -149226.5492 299.3670 -183505.5484 -149137.6770 299.6929 -4.6436 25.9936 557832.8441 -1.0201 -1.0577 PRESSURE: 237800 155.838 49.3508 99.2438 49.3502 97.0074 -75.8737 99.2447 -75.8725 -13.3694 GPRESSURE: 237800 194.966 -17.5762 157.819 88.4239 104.327 2.32363 148.722 -172.143 36.2116 PRESSAVG: 237800 -31.5293 12.6929 -43.0872 12.6929 14.1723 -24.5661 -43.0873 -24.566 -6.56836 GPRESSAVG: 237800 -30.9292 11.2753 -43.8659 14.3774 13.8387 -21.9312 -41.4266 -26.5589 -7.05979 TIMING: 237800 CPU: 710.601, 0.00300641/step Wall: 710.601, 0.00300641/step, 3.97698 hours remaining, 205.722656 MB of memory in use. ENERGY: 237800 755.7999 2081.9196 1951.9963 119.4163 -206208.5251 17938.8769 0.0000 0.0000 34335.7156 -149024.8006 299.8623 -183360.5161 -148924.9176 299.6683 79.8252 111.8351 556961.4888 -7.9751 -8.0501 PRESSURE: 238000 -17.7026 -74.497 31.7093 -74.497 9.18803 -143.271 31.7082 -143.273 -24.0325 GPRESSURE: 238000 -11.4441 -78.0304 78.3143 22.7666 75.5216 -124.054 -3.24046 -86.2516 13.0132 PRESSAVG: 238000 -77.2943 3.31062 19.0625 3.31052 17.2203 2.31985 19.0624 2.31992 43.1668 GPRESSAVG: 238000 -75.6797 3.25927 19.4734 0.829869 17.3513 0.669788 18.3218 4.27919 41.9349 TIMING: 238000 CPU: 711.204, 0.00301523/step Wall: 711.204, 0.00301523/step, 3.98848 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: 238000 775.8852 2061.6805 1928.5964 102.2149 -206128.7528 17825.9969 0.0000 0.0000 34509.5320 -148924.8468 301.3803 -183434.3788 -148822.7068 299.9699 -10.8490 25.6969 557631.1269 -5.6357 -5.4645 PRESSURE: 238200 -48.9744 -73.8366 34.5882 -73.8361 -195.805 48.1491 34.5873 48.1506 -96.1737 GPRESSURE: 238200 -36.5906 10.5918 72.1134 -77.4195 -115.819 17.2223 -20.7137 137.644 -65.644 PRESSAVG: 238200 11.2211 -9.15727 49.1104 -9.15721 10.6744 -5.44224 49.1104 -5.44229 -23.6674 GPRESSAVG: 238200 10.1304 -9.20766 50.1336 -7.57301 11.3523 -4.73881 50.4856 -4.37284 -22.7764 TIMING: 238200 CPU: 711.805, 0.00300878/step Wall: 711.805, 0.00300878/step, 3.97978 hours remaining, 205.722656 MB of memory in use. ENERGY: 238200 750.9646 2012.9194 1929.4671 119.1479 -205840.7991 17679.3545 0.0000 0.0000 34488.1720 -148860.7736 301.1938 -183348.9456 -148759.1021 299.6229 -113.6510 -72.6846 558311.5825 -0.5906 -0.4313 PRESSURE: 238400 34.6887 36.7786 -187.484 36.7789 31.6361 -25.4301 -187.483 -25.4312 91.8303 GPRESSURE: 238400 72.4131 65.2988 -164.585 122.423 92.8809 -39.2568 -214.943 -20.592 84.2607 PRESSAVG: 238400 -31.8274 15.4227 -5.97246 15.4229 -57.373 24.8025 -5.97242 24.8026 15.2402 GPRESSAVG: 238400 -32.5114 16.2738 -6.60561 15.3862 -56.9092 23.6788 -7.69667 23.3845 15.6461 TIMING: 238400 CPU: 712.405, 0.00300005/step Wall: 712.405, 0.00300005/step, 3.96806 hours remaining, 205.722656 MB of memory in use. ENERGY: 238400 726.9537 2096.5147 1921.6489 108.3053 -205826.2354 17707.9451 0.0000 0.0000 34262.4568 -149002.4109 299.2226 -183264.8677 -148916.3257 299.8019 52.7184 83.1849 557417.8137 -24.6534 -24.5915 PRESSURE: 238600 175.048 -8.74543 -34.0194 -8.74508 -238.444 128.755 -34.0189 128.753 -262.783 GPRESSURE: 238600 215.891 10.248 15.6063 -41.636 -254.396 74.6502 -135.508 192.953 -188.767 PRESSAVG: 238600 18.4217 0.928121 -17.8048 0.92809 -1.60544 73.0222 -17.8049 73.0222 -21.3615 GPRESSAVG: 238600 19.5239 1.74522 -16.2535 0.395308 -2.52921 73.3377 -17.5326 72.638 -20.9202 TIMING: 238600 CPU: 713.008, 0.00301069/step Wall: 713.008, 0.00301069/step, 3.98198 hours remaining, 205.722656 MB of memory in use. ENERGY: 238600 766.8327 2009.4294 1949.3592 104.2579 -205790.6824 17777.7810 0.0000 0.0000 34333.8550 -148849.1672 299.8461 -183183.0222 -148751.6563 300.0779 -108.7264 -75.7571 559261.1079 -1.5151 -1.3085 PRESSURE: 238800 16.3091 -72.6944 156.646 -72.6932 -70.1741 85.3616 156.647 85.3615 -279.083 GPRESSURE: 238800 46.7656 -60.2682 99.6044 10.8581 -78.8807 30.8187 167.067 116.953 -215.326 PRESSAVG: 238800 -5.15915 -25.5259 80.9134 -25.5259 35.2411 34.594 80.9134 34.594 -40.9684 GPRESSAVG: 238800 -7.50819 -25.9319 78.4737 -25.61 35.437 35.8417 79.6819 33.1117 -39.5 TIMING: 238800 CPU: 713.601, 0.0029676/step Wall: 713.601, 0.0029676/step, 3.92482 hours remaining, 205.722656 MB of memory in use. ENERGY: 238800 796.4859 2081.4516 1962.4092 111.9963 -205343.1961 17512.3870 0.0000 0.0000 34167.5761 -148710.8899 298.3939 -182878.4661 -148613.9821 299.6759 -110.9827 -82.4803 558049.9681 -3.6288 -3.8571 PRESSURE: 239000 151 -217.033 -9.84651 -217.033 -245.028 -62.8518 -9.84741 -62.8498 -82.3401 GPRESSURE: 239000 169.793 -199.539 12.5511 -253.658 -208.491 -77.417 -21.4045 -10.8269 -30.9355 PRESSAVG: 239000 -6.51343 -50.0778 -13.3677 -50.0779 -5.4577 -22.2296 -13.3678 -22.2294 -21.6568 GPRESSAVG: 239000 -5.71117 -50.6117 -11.026 -51.4758 -5.31573 -20.3357 -13.1113 -22.6489 -22.7502 TIMING: 239000 CPU: 714.196, 0.00297579/step Wall: 714.196, 0.00297579/step, 3.93548 hours remaining, 205.722656 MB of memory in use. ENERGY: 239000 755.7131 2065.6039 1957.7506 108.7396 -205563.4188 17616.3880 0.0000 0.0000 34370.3467 -148688.8770 300.1648 -183059.2237 -148590.8113 300.1242 -58.7895 -23.2115 558258.3863 -11.2093 -11.2590 PRESSURE: 239200 7.33012 50.0569 -22.4583 50.058 -256.683 -120.329 -22.4581 -120.328 230.386 GPRESSURE: 239200 54.6069 -6.53365 44.6581 51.2949 -178.751 -120.636 -9.16006 -92.2107 213.167 PRESSAVG: 239200 49.4791 -42.4285 24.458 -42.4285 -72.6157 -25.4354 24.458 -25.4353 -4.13943 GPRESSAVG: 239200 48.7282 -41.3414 22.8955 -41.1387 -72.3936 -26.2794 26.8133 -24.0842 -3.77641 TIMING: 239200 CPU: 714.788, 0.00295796/step Wall: 714.788, 0.00295796/step, 3.91174 hours remaining, 205.722656 MB of memory in use. ENERGY: 239200 779.4740 2058.6141 1943.8119 112.4776 -205537.5912 17668.6326 0.0000 0.0000 34379.3224 -148595.2585 300.2432 -182974.5809 -148495.5588 300.4570 -6.3223 29.6743 557611.7792 -9.0920 -9.1473 PRESSURE: 239400 164.774 9.32476 -98.7967 9.32387 160.155 113.167 -98.7968 113.166 118.463 GPRESSURE: 239400 202.151 40.573 -29.3359 20.1741 142.719 103.19 -191.251 131.706 190.585 PRESSAVG: 239400 -38.2292 64.7063 -37.8961 64.7063 3.51043 13.551 -37.8961 13.551 32.3859 GPRESSAVG: 239400 -38.6774 66.2939 -37.3684 63.9585 3.4886 11.655 -40.1219 14.2902 33.0055 TIMING: 239400 CPU: 715.39, 0.00301185/step Wall: 715.39, 0.00301185/step, 3.98284 hours remaining, 205.722656 MB of memory in use. ENERGY: 239400 732.3438 2050.3274 1950.6227 120.4920 -206082.4990 17937.9524 0.0000 0.0000 34634.4917 -148656.2691 302.4716 -183290.7607 -148558.8070 300.7558 147.7976 178.4850 558033.3354 -0.7776 -0.7278 PRESSURE: 239600 -223.35 -74.699 -77.5465 -74.6993 38.3103 -71.6803 -77.5472 -71.68 -180.09 GPRESSURE: 239600 -207.076 -113.92 -15.3087 -77.0951 140.506 -156.742 -72.6913 50.1888 -209.313 PRESSAVG: 239600 38.7236 -26.6481 -17.7719 -26.6481 -21.3982 35.9997 -17.7719 35.9998 -14.3859 GPRESSAVG: 239600 39.5382 -28.7984 -18.0289 -26.7224 -21.7103 36.5798 -16.371 35.9911 -14.9657 TIMING: 239600 CPU: 715.987, 0.00298294/step Wall: 715.987, 0.00298294/step, 3.94444 hours remaining, 205.722656 MB of memory in use. ENERGY: 239600 723.1314 2085.6564 1921.2292 112.6555 -205671.4239 17604.2303 0.0000 0.0000 34441.3160 -148783.2051 300.7846 -183224.5211 -148682.8178 300.2665 -121.7099 -91.9611 559582.5571 0.9799 0.9541 PRESSURE: 239800 69.0362 -56.0035 -77.5726 -56.0036 133.204 115.44 -77.573 115.44 -8.52295 GPRESSURE: 239800 153.02 52.0367 -52.6435 -61.949 139.143 126.63 -72.766 72.459 -0.796816 PRESSAVG: 239800 -12.1419 -27.5128 27.6333 -27.5128 -10.897 58.4752 27.6332 58.4751 37.3704 GPRESSAVG: 239800 -10.4712 -26.8098 27.3299 -26.6073 -11.8859 58.8065 27.1239 58.8538 37.2402 TIMING: 239800 CPU: 716.577, 0.00294865/step Wall: 716.577, 0.00294865/step, 3.89893 hours remaining, 205.722656 MB of memory in use. ENERGY: 239800 745.5402 2050.5855 1928.2258 112.8761 -206037.1535 17908.2582 0.0000 0.0000 34577.4909 -148714.1768 301.9738 -183291.6677 -148613.9512 300.0382 64.5725 97.1219 559884.1062 4.7772 4.9610 PRESSURE: 240000 -142.044 -109.199 10.9501 -109.201 56.7112 -14.906 10.9514 -14.9076 66.2955 GPRESSURE: 240000 -136.545 -202.507 41.9671 -70.4939 66.08 -18.3445 93.2217 21.3627 153.983 PRESSAVG: 240000 41.4928 12.4856 -52.8546 12.4855 -35.8932 33.3609 -52.8546 33.361 0.789052 GPRESSAVG: 240000 40.5134 10.1397 -51.5477 13.6119 -34.2317 34.8339 -52.4194 32.6286 0.0083065 TIMING: 240000 CPU: 717.172, 0.00297752/step Wall: 717.172, 0.00297752/step, 3.93694 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: 240000 728.5110 2100.4940 1924.8405 114.3324 -205778.6363 17724.2948 0.0000 0.0000 34379.4231 -148806.7405 300.2441 -183186.1636 -148711.3588 300.7054 -6.3458 27.8392 558594.1999 2.1295 2.0967 PRESSURE: 240200 92.3725 10.4765 -134.563 10.4764 179.354 14.6199 -134.564 14.6209 32.3819 GPRESSURE: 240200 171.317 26.8027 -134.708 80.0009 150.011 55.3807 -131.055 -25.8015 88.7761 PRESSAVG: 240200 7.2019 6.21228 -17.5128 6.21235 73.4201 -14.7566 -17.5128 -14.7565 -30.1122 GPRESSAVG: 240200 7.68632 6.72035 -17.2542 6.14055 71.8109 -16.3525 -19.3654 -15.4039 -29.348 TIMING: 240200 CPU: 717.773, 0.00300593/step Wall: 717.773, 0.00300593/step, 3.97435 hours remaining, 205.722656 MB of memory in use. ENERGY: 240200 726.8012 2059.3510 1932.0169 105.9217 -206122.1279 18035.1444 0.0000 0.0000 34479.5603 -148783.3324 301.1186 -183262.8927 -148686.7140 300.9612 101.3694 136.7011 559992.2985 16.8366 16.7164 LDB: ============= START OF LOAD BALANCING ============== 721.29 LDB: ============== END OF LOAD BALANCING =============== 721.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 721.291 LDB: ============= START OF LOAD BALANCING ============== 721.592 LDB: Largest compute 4773 load 0.028053 is 23.8% of average load 0.117801 LDB: Average compute 0.001729 is 1.5% of average load 0.117801 LDB: TIME 721.595 LOAD: AVG 0.117801 MAX 0.210209 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.98 MB LDB: TIME 721.595 LOAD: AVG 0.117801 MAX 0.210209 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.184 MB LDB: TIME 721.595 LOAD: AVG 0.117801 MAX 0.210209 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.184 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 721.598 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 721.602 PRESSURE: 240400 -60.4475 37.2809 -182.205 37.2808 -35.9807 80.2896 -182.204 80.2888 -8.72263 GPRESSURE: 240400 -15.3999 1.64115 -169.6 58.9904 1.22514 127.412 -173.529 57.7478 3.82338 PRESSAVG: 240400 -10.1279 -15.6034 -6.8149 -15.6034 26.7626 41.8855 -6.81483 41.8854 9.13432 GPRESSAVG: 240400 -10.3132 -13.3494 -8.68469 -15.1862 28.5536 41.5889 -5.93149 42.3605 8.17942 TIMING: 240400 CPU: 718.385, 0.00306005/step Wall: 718.385, 0.00306005/step, 4.04573 hours remaining, 205.324219 MB of memory in use. ENERGY: 240400 759.8857 2064.2840 1938.7712 111.3716 -206017.1237 17803.5592 0.0000 0.0000 34457.1744 -148882.0777 300.9231 -183339.2520 -148784.3255 300.8068 -35.0503 -3.4505 558424.5087 8.5897 8.8066 PRESSURE: 240600 29.2177 -152.457 -4.91216 -152.457 93.7079 148.716 -4.91208 148.716 -208.859 GPRESSURE: 240600 55.0302 -200.833 -85.1644 -110.724 151.507 94.1755 86.6928 71.4378 -207.999 PRESSAVG: 240600 -27.9489 -52.934 -33.3849 -52.9339 65.6749 31.8056 -33.3849 31.8057 -34.221 GPRESSAVG: 240600 -27.64 -55.1612 -32.7287 -53.6949 65.192 31.5499 -32.7441 30.4932 -33.6043 TIMING: 240600 CPU: 718.992, 0.0030345/step Wall: 718.992, 0.00303451/step, 4.01178 hours remaining, 205.324219 MB of memory in use. ENERGY: 240600 724.7104 2099.1206 1929.6019 112.1182 -205931.7988 17754.6661 0.0000 0.0000 34205.7169 -149105.8648 298.7270 -183311.5817 -149007.6126 300.0190 -28.6445 -0.4875 558534.8932 1.1684 1.3159 PRESSURE: 240800 -220.626 -34.6189 105.314 -34.6201 -197.622 -110.422 105.314 -110.422 67.3002 GPRESSURE: 240800 -187.241 19.5569 42.9572 -146.11 -127.314 -79.0124 174.395 -96.8154 59.4387 PRESSAVG: 240800 64.2429 -33.9925 -35.3354 -33.9924 -37.8239 -4.98434 -35.3354 -4.98433 16.1656 GPRESSAVG: 240800 62.588 -33.3425 -34.4195 -35.2668 -37.1378 -5.32292 -35.8951 -3.55186 17.403 TIMING: 240800 CPU: 719.591, 0.00299258/step Wall: 719.591, 0.00299258/step, 3.9562 hours remaining, 205.324219 MB of memory in use. ENERGY: 240800 731.7879 2048.9243 1919.8641 108.2652 -205727.9245 17594.8447 0.0000 0.0000 34163.0833 -149161.1549 298.3547 -183324.2383 -149066.6481 298.9283 -116.9828 -85.0388 558740.0183 14.1949 14.2844 PRESSURE: 241000 -15.0811 28.8667 -90.2844 28.8672 -130.464 -115.318 -90.2842 -115.318 33.9992 GPRESSURE: 241000 11.389 -64.3484 -47.4355 39.6363 -74.0098 -146.527 -80.3483 -75.6726 32.9296 PRESSAVG: 241000 -28.3405 -10.675 -45.3501 -10.675 62.0244 -88.3201 -45.35 -88.3203 7.13557 GPRESSAVG: 241000 -26.7085 -11.327 -46.4161 -8.58166 61.6019 -86.3455 -44.0767 -90.2487 5.69866 TIMING: 241000 CPU: 720.189, 0.00299025/step Wall: 720.189, 0.00299025/step, 3.95294 hours remaining, 205.324219 MB of memory in use. ENERGY: 241000 755.8088 2159.0730 1950.5182 105.4229 -206122.5251 17841.6894 0.0000 0.0000 34346.1090 -148963.9038 299.9531 -183310.0128 -148872.8730 299.0064 -37.1819 -9.8971 558390.5194 13.6065 13.5307 PRESSURE: 241200 11.2941 6.59669 90.8354 6.59823 308.568 -172.614 90.8363 -172.616 -17.6798 GPRESSURE: 241200 33.3095 -34.7448 21.8489 50.1726 315.243 -114.388 94.7517 -168.539 38.7188 PRESSAVG: 241200 41.235 23.867 -4.13662 23.8671 26.5436 -26.1864 -4.13664 -26.1865 -56.0462 GPRESSAVG: 241200 39.8152 24.977 -4.22629 22.0713 26.8923 -26.2845 -3.61824 -23.8334 -55.4593 TIMING: 241200 CPU: 720.79, 0.0030084/step Wall: 720.79, 0.0030084/step, 3.97678 hours remaining, 205.324219 MB of memory in use. ENERGY: 241200 723.5296 2051.0793 1934.7929 112.5427 -205957.7159 17821.9797 0.0000 0.0000 34296.6371 -149017.1547 299.5211 -183313.7918 -148920.5259 299.8644 100.7274 129.0903 559463.4522 3.9108 3.7494 PRESSURE: 241400 158.484 75.5603 -165.195 75.5599 24.7963 206.64 -165.195 206.64 -203.163 GPRESSURE: 241400 203.175 37.7082 -151.942 108.032 68.8177 186.517 -189.443 160.407 -200.475 PRESSAVG: 241400 2.18284 -8.82024 39.5102 -8.82025 20.2122 31.0999 39.5101 31.1 -48.0762 GPRESSAVG: 241400 2.51138 -9.09961 38.7302 -9.46432 19.8955 29.4029 40.1951 30.535 -48.0921 TIMING: 241400 CPU: 721.395, 0.00302161/step Wall: 721.395, 0.00302161/step, 3.99406 hours remaining, 205.324219 MB of memory in use. ENERGY: 241400 745.6651 2086.4168 1933.9706 105.5568 -205980.8489 17750.5874 0.0000 0.0000 34297.6796 -149060.9727 299.5302 -183358.6523 -148961.3039 300.1772 -6.6276 23.8393 556917.3981 -8.5604 -8.5617 PRESSURE: 241600 -163.195 24.4406 -69.8914 24.4393 -2.15768 142.001 -69.8923 142 137.777 GPRESSURE: 241600 -84.494 9.30403 -7.24735 77.1724 1.67533 146.124 -145.93 207.152 131.616 PRESSAVG: 241600 82.1002 -25.9172 -35.8 -25.9172 25.5213 53.3827 -35.8001 53.3827 -118.03 GPRESSAVG: 241600 82.1477 -25.0378 -34.723 -26.4914 25.1056 56.0052 -37.9395 52.2242 -118.09 TIMING: 241600 CPU: 721.994, 0.00299885/step Wall: 721.994, 0.00299885/step, 3.96381 hours remaining, 205.324219 MB of memory in use. ENERGY: 241600 735.5365 2068.1459 1936.5093 105.8201 -205996.6290 17920.9397 0.0000 0.0000 34102.1524 -149127.5252 297.8226 -183229.6776 -149037.2049 299.4067 -9.1919 16.2658 558475.4036 -3.4694 -3.6123 PRESSURE: 241800 -35.2036 260.067 60.268 260.067 -295.476 -70.0406 60.2676 -70.0402 -222.489 GPRESSURE: 241800 24.4636 201.458 21.7523 228.776 -279.072 -153.575 61.9927 -29.6892 -197.103 PRESSAVG: 241800 9.57129 -61.7788 -36.4287 -61.7787 27.2582 77.4358 -36.4288 77.4358 -60.2523 GPRESSAVG: 241800 9.70624 -63.0898 -35.2009 -60.2169 27.9303 74.3828 -35.6445 78.0837 -60.8946 TIMING: 241800 CPU: 722.587, 0.00296214/step Wall: 722.587, 0.00296214/step, 3.91513 hours remaining, 205.324219 MB of memory in use. ENERGY: 241800 799.2809 2051.6135 1935.2317 120.2186 -205945.2382 17723.2897 0.0000 0.0000 34230.9930 -149084.6108 298.9478 -183315.6038 -148990.7827 299.4999 -184.3895 -150.5702 560776.7839 -7.8076 -7.7527 PRESSURE: 242000 -46.7361 -96.42 10.9916 -96.4201 -198.142 -137.005 10.9907 -137.005 -173.393 GPRESSURE: 242000 -50.4888 -161.027 21.6754 -36.8328 -165.03 -122.574 -8.12723 -183.014 -106.86 PRESSAVG: 242000 -4.81157 -22.804 -42.581 -22.8041 68.1172 8.38514 -42.581 8.3852 -38.069 GPRESSAVG: 242000 -4.66656 -24.5291 -40.4 -22.7957 68.3214 9.93829 -45.2257 8.84371 -38.3679 TIMING: 242000 CPU: 723.186, 0.00299488/step Wall: 723.186, 0.00299488/step, 3.95823 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: 242000 761.7908 2110.2219 1943.0491 111.7687 -206184.1590 17684.7748 0.0000 0.0000 34366.1424 -149206.4112 300.1281 -183572.5537 -149113.3597 299.3641 -139.4237 -107.4596 559346.1528 8.4122 8.4290 PRESSURE: 242200 -43.7262 15.1675 -119.647 15.1676 -169.101 -13.812 -119.647 -13.8107 -122.463 GPRESSURE: 242200 -28.6812 52.2272 -129.054 -50.2418 -110.999 30.2377 -113.611 -53.2256 -111.345 PRESSAVG: 242200 -13.8857 -7.31104 -52.3841 -7.31093 24.5806 17.5072 -52.384 17.5073 -3.25899 GPRESSAVG: 242200 -13.9287 -6.40083 -52.5372 -8.67229 24.1245 16.8277 -52.2728 17.0598 -3.04639 TIMING: 242200 CPU: 723.785, 0.00299392/step Wall: 723.785, 0.00299392/step, 3.9568 hours remaining, 205.324219 MB of memory in use. ENERGY: 242200 763.8709 2054.8315 1972.2245 119.7581 -206250.3581 17881.7593 0.0000 0.0000 34102.3986 -149355.5153 297.8247 -183457.9139 -149256.5920 299.0891 -111.7636 -83.6750 559700.0364 2.4786 2.3831 PRESSURE: 242400 -73.85 -78.202 97.1366 -78.2015 17.2912 -90.3858 97.1355 -90.3866 11.592 GPRESSURE: 242400 -66.045 -67.2041 153.929 -21.391 45.6221 -33.7483 100.706 -89.8375 67.1969 PRESSAVG: 242400 -45.6898 38.6617 -10.0468 38.6617 4.89172 -22.3197 -10.0469 -22.3198 59.7888 GPRESSAVG: 242400 -45.8764 40.1017 -13.9435 40.2206 4.41343 -22.3717 -7.44001 -20.1981 60.1314 TIMING: 242400 CPU: 724.375, 0.00295256/step Wall: 724.375, 0.00295256/step, 3.90198 hours remaining, 205.324219 MB of memory in use. ENERGY: 242400 787.3210 2078.0828 1951.8972 101.2929 -206504.3631 17945.9159 0.0000 0.0000 34298.1965 -149341.6567 299.5347 -183639.8532 -149245.6579 298.8964 -14.9890 15.5914 557924.4144 6.3302 6.2228 PRESSURE: 242600 -97.681 37.5529 76.6458 37.5517 45.0178 33.4186 76.6461 33.417 -291.124 GPRESSURE: 242600 -63.2334 120.635 91.7845 -1.48032 62.0542 118.852 119.228 30.4358 -243.916 PRESSAVG: 242600 9.04468 -33.9633 11.3926 -33.9633 -17.3483 -24.3968 11.3926 -24.3967 29.7433 GPRESSAVG: 242600 9.38138 -35.1836 15.2852 -34.9693 -16.6216 -24.5755 9.62906 -25.5861 29.0924 TIMING: 242600 CPU: 724.968, 0.00296399/step Wall: 724.968, 0.00296399/step, 3.91691 hours remaining, 205.324219 MB of memory in use. ENERGY: 242600 764.2637 2131.7214 1918.4238 115.4181 -206381.5550 17806.9593 0.0000 0.0000 34185.6666 -149459.1021 298.5519 -183644.7686 -149358.2664 298.2469 -114.5959 -81.6983 557975.5044 7.1466 7.2841 PRESSURE: 242800 -210.941 -55.5126 157.636 -55.5127 -100.335 -305.574 157.637 -305.573 -116.393 GPRESSURE: 242800 -152.406 -89.4489 -32.859 -50.9296 -64.9415 -149.376 176.365 -346.774 -109.326 PRESSAVG: 242800 -39.1951 -20.2907 40.1363 -20.2907 56.0144 6.03419 40.1364 6.03428 -21.9273 GPRESSAVG: 242800 -39.1318 -18.9094 35.7287 -21.5907 55.4885 7.48452 41.2134 4.446 -22.522 TIMING: 242800 CPU: 725.57, 0.00300828/step Wall: 725.57, 0.00300827/step, 3.97527 hours remaining, 205.324219 MB of memory in use. ENERGY: 242800 728.8081 2104.0147 1939.2813 105.6583 -206263.6514 17671.7308 0.0000 0.0000 34413.8704 -149300.2878 300.5449 -183714.1583 -149204.3492 299.3256 -142.5567 -108.8910 557479.7361 -1.7026 -2.0551 PRESSURE: 243000 164.861 -79.9512 -12.7018 -79.9512 -217.606 32.9788 -12.7006 32.9795 -128.016 GPRESSURE: 243000 194.881 -138.919 -51.0027 -128.867 -161.752 69.4063 -12.229 35.2664 -105.298 PRESSAVG: 243000 -3.81739 -56.334 5.05989 -56.3339 17.4471 -31.0155 5.05989 -31.0155 -1.62313 GPRESSAVG: 243000 -4.32056 -57.2284 6.16034 -56.2472 16.5577 -31.8617 5.55852 -29.1207 -0.612021 TIMING: 243000 CPU: 726.17, 0.00300404/step Wall: 726.17, 0.00300404/step, 3.9695 hours remaining, 205.324219 MB of memory in use. ENERGY: 243000 758.0518 2031.7361 1924.0930 113.1294 -206202.8570 17771.6125 0.0000 0.0000 34330.1362 -149274.0980 299.8136 -183604.2342 -149183.6909 299.7758 -60.2537 -24.0563 557674.2470 4.0022 3.8750 PRESSURE: 243200 -288.104 36.776 -130.254 36.7759 -3.16647 -132.707 -130.254 -132.706 -165.516 GPRESSURE: 243200 -269.218 64.6673 -69.4859 98.4127 56.4643 -207.813 -207.657 -96.5342 -143.112 PRESSAVG: 243200 88.9922 -13.5237 -18.4391 -13.5236 -60.234 -36.1347 -18.4391 -36.1346 -21.0893 GPRESSAVG: 243200 89.6329 -13.385 -17.992 -12.5266 -60.4416 -36.1177 -17.6185 -36.4612 -21.8774 TIMING: 243200 CPU: 726.773, 0.00301176/step Wall: 726.773, 0.00301176/step, 3.97954 hours remaining, 205.324219 MB of memory in use. ENERGY: 243200 758.5457 2055.2194 1959.3101 121.4394 -205986.3740 17573.3564 0.0000 0.0000 34272.0731 -149246.4298 299.3065 -183518.5030 -149144.7176 299.8324 -152.2622 -118.6219 558447.8336 2.5563 2.4380 PRESSURE: 243400 -111.979 92.3288 -112.872 92.3288 -143.71 34.0478 -112.873 34.0476 -43.3024 GPRESSURE: 243400 -61.9627 62.3901 -88.2756 70.1601 -163.948 33.3861 -90.198 26.9999 13.4385 PRESSAVG: 243400 9.74538 -2.2755 0.49998 -2.27554 67.9077 2.67152 0.50002 2.67155 -54.2858 GPRESSAVG: 243400 9.75419 -2.38561 2.40023 -2.83094 67.3575 4.29067 -1.18193 2.89204 -53.4139 TIMING: 243400 CPU: 727.368, 0.00297478/step Wall: 727.368, 0.00297478/step, 3.93051 hours remaining, 205.324219 MB of memory in use. ENERGY: 243400 747.7253 2073.7944 1946.8640 109.8845 -205861.1871 17645.5630 0.0000 0.0000 34177.4147 -149159.9412 298.4799 -183337.3559 -149064.1343 298.8131 -99.6636 -70.8241 558326.2630 7.7891 7.8993 PRESSURE: 243600 -171.092 117.211 -30.2263 117.211 -95.185 13.2964 -30.2261 13.2952 -65.5301 GPRESSURE: 243600 -116.936 155.552 -20.3422 57.9627 -57.844 -35.8644 -82.2278 -6.49231 -72.2756 PRESSAVG: 243600 27.316 -27.742 -18.5581 -27.742 -1.71112 -5.40059 -18.5582 -5.40058 -35.1269 GPRESSAVG: 243600 26.9965 -28.3748 -19.6216 -28.3203 -1.71251 -7.30564 -17.2745 -4.60429 -35.0447 TIMING: 243600 CPU: 727.967, 0.00299812/step Wall: 727.967, 0.00299812/step, 3.96119 hours remaining, 205.324219 MB of memory in use. ENERGY: 243600 758.7402 2154.8630 1924.0493 114.9178 -205762.1628 17520.0059 0.0000 0.0000 34232.3182 -149057.2683 298.9593 -183289.5865 -148954.5837 298.9607 -110.6023 -82.3518 557445.4651 -3.1740 -3.2536 PRESSURE: 243800 67.1745 40.2739 -125.827 40.2731 203.216 52.844 -125.827 52.8445 87.3384 GPRESSURE: 243800 49.718 -6.20102 -160.391 35.1144 267.264 24.4368 -3.23212 -18.7896 145.235 PRESSAVG: 243800 -17.1349 72.0207 -31.398 72.0206 -31.3545 -63.8767 -31.398 -63.8767 51.1934 GPRESSAVG: 243800 -17.1342 74.3161 -31.0008 72.3174 -31.401 -64.4372 -32.0585 -65.2078 51.0737 TIMING: 243800 CPU: 728.568, 0.00300438/step Wall: 728.568, 0.00300438/step, 3.96928 hours remaining, 205.324219 MB of memory in use. ENERGY: 243800 770.4297 2108.5026 1930.2198 105.0233 -206357.4261 18041.7223 0.0000 0.0000 34437.8600 -148963.6685 300.7544 -183401.5285 -148866.9582 299.7385 119.2430 154.0723 557364.0231 0.9013 0.8462 PRESSURE: 244000 -161.76 19.7236 -96.326 19.725 31.4106 -19.9877 -96.3246 -19.9875 -57.6751 GPRESSURE: 244000 -68.1298 70.9053 -49.9746 -9.3815 26.482 -71.0311 -109.922 5.15434 -43.9575 PRESSAVG: 244000 57.7681 58.4409 8.97641 58.4408 -63.6335 7.27649 8.97645 7.2765 8.19235 GPRESSAVG: 244000 57.4776 57.1932 7.51746 59.3505 -63.1957 6.72787 7.8479 7.23404 8.12009 TIMING: 244000 CPU: 729.164, 0.00298092/step Wall: 729.164, 0.00298092/step, 3.93813 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: 244000 770.3058 2009.3791 1904.2160 107.2130 -206169.1031 17983.6384 0.0000 0.0000 34239.1054 -149155.2453 299.0186 -183394.3507 -149056.9007 299.6549 -62.6750 -28.5351 557910.1241 0.7756 0.8007 PRESSURE: 244200 269.647 -116.329 13.0282 -116.328 184.202 -2.82617 13.0274 -2.82539 43.5813 GPRESSURE: 244200 348.226 -75.0489 96.4075 -125.041 117.643 -46.6869 34.6025 -42.6554 123.683 PRESSAVG: 244200 -29.3925 19.4762 26.0609 19.4762 -12.7488 22.8425 26.0609 22.8426 -37.8203 GPRESSAVG: 244200 -29.6909 19.4524 25.5485 19.0417 -13.3203 24.5191 27.0901 22.4019 -37.0868 TIMING: 244200 CPU: 729.767, 0.00301351/step Wall: 729.767, 0.00301351/step, 3.98102 hours remaining, 205.324219 MB of memory in use. ENERGY: 244200 754.4333 2042.8969 1921.5076 108.3688 -206054.1888 17963.4674 0.0000 0.0000 34210.2892 -149053.2256 298.7670 -183263.5148 -148962.7501 299.7033 165.8104 196.5173 558102.6205 -26.6539 -26.6993 LDB: ============= START OF LOAD BALANCING ============== 733.284 LDB: ============== END OF LOAD BALANCING =============== 733.284 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 733.286 LDB: ============= START OF LOAD BALANCING ============== 733.584 LDB: Largest compute 4773 load 0.029574 is 25.1% of average load 0.117876 LDB: Average compute 0.001731 is 1.5% of average load 0.117876 LDB: TIME 733.587 LOAD: AVG 0.117876 MAX 0.208069 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.402 MB LDB: TIME 733.587 LOAD: AVG 0.117876 MAX 0.208069 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.469 MB LDB: TIME 733.587 LOAD: AVG 0.117876 MAX 0.208069 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.469 MB LDB: ============== END OF LOAD BALANCING =============== 733.589 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 733.593 PRESSURE: 244400 -90.1124 -52.7433 -32.2378 -52.7425 -137.412 -69.8411 -32.2373 -69.8423 -211.664 GPRESSURE: 244400 -93.1863 -77.3505 -33.9112 -90.6878 -129.429 -73.7817 -60.0026 -82.3834 -115.555 PRESSAVG: 244400 50.1853 -3.69735 22.8537 -3.69742 -30.114 11.8591 22.8536 11.8592 -6.98616 GPRESSAVG: 244400 51.269 -3.28972 23.9797 -4.40503 -28.9443 9.66975 22.5399 12.9551 -9.17475 TIMING: 244400 CPU: 730.377, 0.00304681/step Wall: 730.377, 0.00304681/step, 4.02483 hours remaining, 205.949219 MB of memory in use. ENERGY: 244400 768.5474 2064.1374 1945.8304 114.9286 -205769.4705 17448.4199 0.0000 0.0000 34408.6052 -149019.0016 300.4989 -183427.6068 -148931.5467 299.4776 -146.3964 -112.7236 557611.6612 4.3617 4.3833 PRESSURE: 244600 306.675 65.8938 271.737 65.8939 60.0976 -32.8292 271.735 -32.8303 -127.961 GPRESSURE: 244600 351.739 141.075 263.286 10.5437 94.1893 -34.506 240.458 -40.3865 -101.896 PRESSAVG: 244600 -2.77488 -27.9172 22.0033 -27.9171 -19.171 -6.15555 22.0032 -6.15571 5.00599 GPRESSAVG: 244600 -1.99988 -27.9143 20.0497 -24.6908 -21.7025 -1.999 22.7914 -7.97625 7.05663 TIMING: 244600 CPU: 730.974, 0.00298883/step Wall: 730.974, 0.00298883/step, 3.94808 hours remaining, 205.949219 MB of memory in use. ENERGY: 244600 747.3704 2048.0944 1931.9767 122.9463 -206001.4808 17797.0898 0.0000 0.0000 34290.5813 -149063.4219 299.4682 -183354.0032 -148967.5002 299.7028 79.6039 114.6772 556592.9853 -5.6466 -5.5486 PRESSURE: 244800 51.5473 69.0146 -96.913 69.0147 199.806 94.2132 -96.9132 94.2119 -1.85437 GPRESSURE: 244800 35.1741 80.3385 -57.8856 -17.0012 248.478 27.171 -90.7247 186.892 51.9995 PRESSAVG: 244800 -74.436 -13.4517 30.5148 -13.4517 12.2385 -19.7614 30.5147 -19.7613 39.0732 GPRESSAVG: 244800 -75.0736 -13.1999 32.0343 -15.9016 14.6615 -23.2778 30.0951 -18.0983 37.3595 TIMING: 244800 CPU: 731.566, 0.00296058/step Wall: 731.566, 0.00296058/step, 3.9106 hours remaining, 205.949219 MB of memory in use. ENERGY: 244800 701.5564 2089.2407 1925.8225 112.0168 -206030.6961 17832.0540 0.0000 0.0000 34258.8620 -149111.1436 299.1912 -183370.0056 -149018.7261 298.2847 83.1662 111.8838 557589.8969 -7.7081 -7.6842 PRESSURE: 245000 -84.2282 66.0676 -79.0823 66.0679 -21.476 31.4726 -79.0824 31.4754 161.928 GPRESSURE: 245000 -87.5048 50.4337 -116.891 71.9805 77.1461 82.8341 -48.949 -51.1472 174.555 PRESSAVG: 245000 -64.3968 -33.5034 -48.6685 -33.5033 24.8646 17.5206 -48.6686 17.5206 41.2987 GPRESSAVG: 245000 -65.8843 -33.136 -50.0591 -35.4621 24.6755 18.7982 -48.3418 17.8644 43.1652 TIMING: 245000 CPU: 732.164, 0.00298601/step Wall: 732.164, 0.00298601/step, 3.94402 hours remaining, 205.949219 MB of memory in use. ENERGY: 245000 756.8512 2067.1862 1946.7391 117.4179 -206283.9218 17825.8823 0.0000 0.0000 34300.7374 -149269.1076 299.5569 -183569.8450 -149172.7553 299.3330 18.7414 54.7321 558044.8093 0.5888 0.6521 PRESSURE: 245200 39.7029 28.7551 -87.2851 28.7566 -4.83675 -8.38213 -87.2856 -8.38218 157.927 GPRESSURE: 245200 28.2844 91.4848 -59.6607 -18.0714 40.1134 -55.3778 -123.411 17.1287 218.227 PRESSAVG: 245200 -0.199772 -16.9444 48.8321 -16.9445 55.0902 32.9554 48.8319 32.9554 -28.7284 GPRESSAVG: 245200 1.48217 -18.0667 50.8933 -13.4269 54.8729 33.4777 48.0405 31.6252 -30.0932 TIMING: 245200 CPU: 732.759, 0.00297833/step Wall: 732.759, 0.00297833/step, 3.93371 hours remaining, 205.949219 MB of memory in use. ENERGY: 245200 736.6535 2024.5242 1962.3144 115.2535 -205958.7899 17801.2444 0.0000 0.0000 34080.7306 -149238.0693 297.6355 -183318.7999 -149149.2790 299.3216 64.2644 95.5416 557096.2333 8.7207 8.7539 PRESSURE: 245400 -244.102 -75.7319 -199.471 -75.7319 172.184 192.595 -199.471 192.593 77.4511 GPRESSURE: 245400 -252.416 -77.528 -202.314 -72.003 249.461 224.55 -183.459 173.542 109.134 PRESSAVG: 245400 -46.2602 15.4123 45.8086 15.4123 38.2808 -11.7725 45.8086 -11.7726 -4.06222 GPRESSAVG: 245400 -45.7466 15.1369 44.6925 13.4657 37.4836 -12.9161 46.1655 -9.79595 -3.58983 TIMING: 245400 CPU: 733.353, 0.00296658/step Wall: 733.353, 0.00296658/step, 3.91803 hours remaining, 205.949219 MB of memory in use. ENERGY: 245400 764.1110 2002.9561 1930.7491 116.2035 -206238.1412 17812.8313 0.0000 0.0000 34343.7073 -149267.5829 299.9321 -183611.2903 -149171.2304 299.4767 1.8443 35.3931 556301.8333 -4.0139 -3.9510 PRESSURE: 245600 -192.368 134.681 -95.3737 134.681 51.8818 46.9776 -95.3737 46.9804 154.589 GPRESSURE: 245600 -150.738 172.662 -18.4468 128.175 136.21 34.9031 -93.1721 66.1156 122.064 PRESSAVG: 245600 -28.6853 26.1456 -4.26421 26.1457 67.512 -7.8088 -4.26422 -7.80872 -32.0956 GPRESSAVG: 245600 -27.8668 26.8652 -2.19745 26.7324 66.9196 -8.22989 -4.97142 -8.15749 -32.4555 TIMING: 245600 CPU: 733.947, 0.00297261/step Wall: 733.947, 0.00297261/step, 3.92583 hours remaining, 205.949219 MB of memory in use. ENERGY: 245600 748.1321 2062.4625 1963.9792 114.1729 -205987.8504 17780.8956 0.0000 0.0000 34211.3976 -149106.8104 298.7766 -183318.2080 -149011.9669 299.5129 4.7010 35.8450 557720.4341 2.2437 2.1991 PRESSURE: 245800 178.004 -89.2543 84.3711 -89.2548 -141.656 -128.434 84.3708 -128.433 76.3174 GPRESSURE: 245800 232.902 -56.1097 74.7603 -87.6746 -147.044 -163.751 136.214 -85.8573 121.173 PRESSAVG: 245800 -41.6013 -60.7851 77.8495 -60.7851 90.1212 -37.7327 77.8494 -37.7328 -38.6836 GPRESSAVG: 245800 -42.3204 -59.5097 76.0351 -60.696 91.5863 -38.3285 77.5076 -38.5464 -39.253 TIMING: 245800 CPU: 734.543, 0.00297991/step Wall: 734.543, 0.00297991/step, 3.93531 hours remaining, 205.949219 MB of memory in use. ENERGY: 245800 751.5584 2068.1737 1937.3630 127.5513 -205893.7869 17533.3515 0.0000 0.0000 34159.3764 -149316.4126 298.3223 -183475.7890 -149229.0054 299.0859 37.5551 69.0103 555934.1955 3.2788 3.3377 PRESSURE: 246000 -111.825 13.6686 -287.745 13.6693 131.025 -12.8175 -287.744 -12.8179 -24.3553 GPRESSURE: 246000 -99.4359 -114.753 -209.474 -12.8043 162.912 -75.4007 -315.533 -4.39808 22.4316 PRESSAVG: 246000 -12.0488 -52.4679 -3.20438 -52.4679 16.0899 -42.8209 -3.20422 -42.821 -17.2033 GPRESSAVG: 246000 -13.7768 -54.5481 -2.62615 -50.7778 15.7461 -40.6489 -3.10538 -42.9019 -15.3468 TIMING: 246000 CPU: 735.14, 0.0029849/step Wall: 735.14, 0.0029849/step, 3.94172 hours remaining, 205.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 246000 684.9957 2089.9147 1959.1825 130.0659 -205956.5768 17635.1036 0.0000 0.0000 34138.1413 -149319.1731 298.1369 -183457.3144 -149220.1027 299.0428 -1.7184 28.6361 557042.6117 -4.3874 -4.4591 PRESSURE: 246200 -188.944 -87.1852 80.433 -87.1847 39.5348 -50.0094 80.4324 -50.0073 -277.674 GPRESSURE: 246200 -234.615 -125.601 126.562 -103.584 71.9183 20.977 79.2733 -132.701 -169.464 PRESSAVG: 246200 -2.18641 -7.86939 -11.8212 -7.86939 -36.6078 -10.9424 -11.8213 -10.9423 51.2341 GPRESSAVG: 246200 -0.819867 -6.58983 -11.972 -11.0651 -36.5697 -12.7364 -10.8053 -9.72262 50.1192 TIMING: 246200 CPU: 735.744, 0.00301724/step Wall: 735.744, 0.00301724/step, 3.98426 hours remaining, 205.949219 MB of memory in use. ENERGY: 246200 750.4774 2029.7382 1935.5455 119.0335 -205782.5357 17551.5624 0.0000 0.0000 34142.7168 -149253.4620 298.1768 -183396.1788 -149158.4041 299.4399 -142.3609 -110.7201 558009.3973 4.1466 4.2432 PRESSURE: 246400 -54.3089 -23.6739 -48.3632 -23.6739 -44.0053 69.3462 -48.3635 69.3464 -51.9675 GPRESSURE: 246400 8.49899 -49.0819 -127.637 29.7438 -5.21017 67.1961 -24.029 76.9006 -41.4918 PRESSAVG: 246400 21.0927 -45.8354 -26.9053 -45.8356 -21.5825 27.5316 -26.9053 27.5316 -2.17317 GPRESSAVG: 246400 20.9591 -47.7822 -26.0971 -42.3883 -21.0814 30.9401 -26.2654 25.9368 -2.55461 TIMING: 246400 CPU: 736.343, 0.00299935/step Wall: 736.343, 0.00299935/step, 3.96047 hours remaining, 205.949219 MB of memory in use. ENERGY: 246400 787.9774 2018.0608 1948.9836 109.1718 -205933.0043 17728.6938 0.0000 0.0000 34177.2575 -149162.8594 298.4785 -183340.1169 -149072.2024 299.1719 -50.0939 -12.7343 555766.0996 -0.8877 -0.8923 PRESSURE: 246600 -209.087 -35.1593 -108.605 -35.1577 -61.6171 -64.3123 -108.607 -64.3116 41.983 GPRESSURE: 246600 -144.791 -87.575 -154.395 -28.7661 -51.2904 -73.4429 31.7084 -68.2797 69.2544 PRESSAVG: 246600 22.872 -1.45742 37.4331 -1.45735 -27.7639 22.8036 37.433 22.8036 14.6038 GPRESSAVG: 246600 22.2276 -0.736916 35.4267 -2.93108 -26.9816 20.775 37.846 22.5691 13.9759 TIMING: 246600 CPU: 736.938, 0.00297564/step Wall: 736.938, 0.00297564/step, 3.92901 hours remaining, 205.949219 MB of memory in use. ENERGY: 246600 742.6462 2035.2316 1959.1106 113.7961 -205738.4925 17554.4736 0.0000 0.0000 34183.5636 -149149.6707 298.5336 -183333.2344 -149057.9838 299.0802 -76.2404 -42.2756 556620.3622 3.2373 3.0740 PRESSURE: 246800 80.879 44.9139 -36.9384 44.9137 137.735 -9.72978 -36.9405 -9.73178 -205.839 GPRESSURE: 246800 70.5308 57.1496 -22.3815 43.2579 116.183 16.8864 -70.0371 -46.674 -71.4793 PRESSAVG: 246800 45.9552 61.8928 34.8163 61.8926 4.71868 33.0773 34.8164 33.0773 -9.62115 GPRESSAVG: 246800 45.2557 61.859 36.0581 61.5654 3.45915 32.2801 33.8364 34.8504 -7.77108 TIMING: 246800 CPU: 737.541, 0.00301321/step Wall: 737.541, 0.00301321/step, 3.97844 hours remaining, 205.949219 MB of memory in use. ENERGY: 246800 743.0982 2073.7728 1947.1849 104.8651 -206047.0979 17754.1913 0.0000 0.0000 34229.8841 -149194.1014 298.9381 -183423.9856 -149094.4674 298.6259 4.2582 38.4114 556179.1695 13.6842 13.6479 PRESSURE: 247000 -190.219 60.5813 76.9646 60.5807 -25.5197 -39.5386 76.965 -39.5388 -105.976 GPRESSURE: 247000 -135.726 43.7985 93.6322 -61.6217 -25.1455 -11.92 -6.52622 14.8863 -61.9934 PRESSAVG: 247000 -11.2421 22.2503 28.1988 22.2504 -29.702 29.7228 28.1987 29.7229 3.04658 GPRESSAVG: 247000 -10.9614 22.4994 29.4141 22.4231 -29.5214 30.7837 26.8797 29.7725 2.28926 TIMING: 247000 CPU: 738.141, 0.00299709/step Wall: 738.141, 0.00299709/step, 3.957 hours remaining, 205.949219 MB of memory in use. ENERGY: 247000 724.4775 2072.1430 1944.6286 97.6361 -205756.8943 17539.0146 0.0000 0.0000 34201.5863 -149177.4083 298.6910 -183378.9946 -149081.3108 299.4685 -107.2380 -74.2881 558184.3165 -12.6325 -12.7312 PRESSURE: 247200 -118.249 9.50986 32.8349 9.50947 18.5198 123.563 32.834 123.564 -33.9755 GPRESSURE: 247200 -109.692 -55.552 52.0357 -31.3805 77.222 101.788 23.9512 104.26 -2.18318 PRESSAVG: 247200 35.3192 -2.29234 2.34274 -2.29228 -22.1232 19.7282 2.34277 19.7283 -43.7875 GPRESSAVG: 247200 34.6827 -2.05296 -0.572342 -2.69572 -20.7485 19.136 4.94266 18.9534 -44.0459 TIMING: 247200 CPU: 738.742, 0.00300599/step Wall: 738.742, 0.00300599/step, 3.96857 hours remaining, 205.949219 MB of memory in use. ENERGY: 247200 747.3367 2042.8768 1927.2334 105.5979 -206285.1323 17719.4218 0.0000 0.0000 34463.5809 -149279.0848 300.9790 -183742.6658 -149187.8536 299.7594 -44.5684 -11.5509 556334.1100 -10.1972 -10.0372 PRESSURE: 247400 -170.506 10.0107 68.4336 10.0105 -43.7162 56.0505 68.4339 56.0512 -244.096 GPRESSURE: 247400 -109.993 57.3043 90.1708 33.7132 10.0845 79.0907 -1.11819 75.2534 -260.677 PRESSAVG: 247400 -33.2089 47.0801 -7.06163 47.0801 25.7835 11.5631 -7.06167 11.5631 -12.9514 GPRESSAVG: 247400 -33.1567 46.6613 -3.75227 48.2061 26.0413 12.2628 -8.2227 12.6079 -13.2043 TIMING: 247400 CPU: 739.343, 0.00300807/step Wall: 739.343, 0.00300807/step, 3.97116 hours remaining, 205.949219 MB of memory in use. ENERGY: 247400 735.9907 2099.5748 1920.7194 108.0359 -205845.0934 17568.4161 0.0000 0.0000 34252.1630 -149160.1935 299.1327 -183412.3565 -149058.2443 298.7765 -152.7727 -120.1953 558201.4219 -6.7923 -6.7733 PRESSURE: 247600 -302.267 -46.4482 42.8914 -46.4485 -84.8061 -104.353 42.8911 -104.352 -137.204 GPRESSURE: 247600 -256.317 -120.64 53.6084 -35.1729 -81.5261 -97.0317 41.1175 -155.058 -96.0864 PRESSAVG: 247600 -18.2059 38.5686 9.46703 38.5686 77.1328 33.8798 9.46692 33.8799 -49.4269 GPRESSAVG: 247600 -17.9 38.0929 6.76381 38.9085 77.2033 33.3749 9.78014 31.4361 -49.5941 TIMING: 247600 CPU: 739.949, 0.00302847/step Wall: 739.949, 0.00302847/step, 3.99792 hours remaining, 205.949219 MB of memory in use. ENERGY: 247600 751.0755 2090.0349 1954.7695 96.5253 -205808.1042 17402.0643 0.0000 0.0000 34340.4434 -149173.1913 299.9036 -183513.6347 -149078.8364 299.6026 -174.7590 -144.6433 557712.4429 3.1667 3.2364 PRESSURE: 247800 -224.481 2.4761 41.1188 2.47655 49.9122 78.5213 41.1192 78.5221 -206.265 GPRESSURE: 247800 -175.109 -50.4122 -6.22717 -10.2976 78.1528 139.633 108.422 -14.823 -188.166 PRESSAVG: 247800 -64.4224 -6.59482 -24.203 -6.59494 29.6202 15.0488 -24.2029 15.0488 -16.3033 GPRESSAVG: 247800 -63.2697 -6.1239 -22.9331 -8.50898 29.1398 15.2376 -24.153 14.4266 -16.7215 TIMING: 247800 CPU: 740.555, 0.00302855/step Wall: 740.555, 0.00302855/step, 3.99786 hours remaining, 205.949219 MB of memory in use. ENERGY: 247800 758.1422 2041.3781 1943.8087 105.2873 -205919.3743 17641.2009 0.0000 0.0000 34209.9112 -149219.6459 298.7637 -183429.5571 -149125.8608 299.5986 -126.9446 -95.0409 558410.7813 -17.0352 -16.9505 PRESSURE: 248000 -289.356 -135.037 73.2188 -135.037 -125.374 -53.0265 73.2173 -53.026 -162.01 GPRESSURE: 248000 -275.786 -175.632 1.41193 -52.1792 -95.012 -43.5807 111.746 -12.8575 -110.611 PRESSAVG: 248000 -32.6258 -0.353598 -24.9199 -0.35366 91.5156 12.0745 -24.92 12.0745 -0.888694 GPRESSAVG: 248000 -33.2796 -0.398445 -26.1154 0.41559 91.6386 11.3369 -24.4025 15.1596 -0.440975 TIMING: 248000 CPU: 741.159, 0.00302259/step Wall: 741.159, 0.00302259/step, 3.98982 hours remaining, 205.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 248000 786.4488 2071.4622 1918.9248 114.5762 -205623.2311 17529.7133 0.0000 0.0000 34125.9959 -149076.1100 298.0308 -183202.1058 -148980.8926 299.3397 -192.2466 -160.4698 558854.5767 19.3337 19.3060 PRESSURE: 248200 -141.947 -70.0967 -78.4572 -70.096 -128.461 -123.054 -78.4568 -123.054 -230.44 GPRESSURE: 248200 -74.7404 -93.8382 -65.5674 -65.9396 -86.347 -126.482 -71.5681 -56.0652 -226.008 PRESSAVG: 248200 -63.0072 2.09454 -69.7838 2.09455 33.6331 39.4837 -69.7837 39.4836 31.2684 GPRESSAVG: 248200 -64.2204 3.12334 -66.4753 0.180841 34.0463 39.2137 -73.1242 38.5508 32.0402 TIMING: 248200 CPU: 741.766, 0.00303334/step Wall: 741.766, 0.00303334/step, 4.00384 hours remaining, 205.949219 MB of memory in use. ENERGY: 248200 755.8978 2109.8402 1921.4674 115.5206 -205899.6014 17545.5521 0.0000 0.0000 34476.9327 -148974.3906 301.0956 -183451.3233 -148873.1950 300.3822 -166.9494 -129.0319 555221.9598 0.6314 0.6220 LDB: ============= START OF LOAD BALANCING ============== 745.285 LDB: ============== END OF LOAD BALANCING =============== 745.285 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 745.287 LDB: ============= START OF LOAD BALANCING ============== 745.59 LDB: Largest compute 4773 load 0.032081 is 27.2% of average load 0.117806 LDB: Average compute 0.001726 is 1.5% of average load 0.117806 LDB: TIME 745.592 LOAD: AVG 0.117806 MAX 0.211976 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.035 MB LDB: TIME 745.593 LOAD: AVG 0.117806 MAX 0.211976 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.039 MB LDB: TIME 745.593 LOAD: AVG 0.117806 MAX 0.211976 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.039 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 745.595 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 745.599 PRESSURE: 248400 151.165 162.19 92.1976 162.19 -149.806 152.06 92.1968 152.06 42.9539 GPRESSURE: 248400 182.914 86.9885 97.2255 165.087 -85.3958 118.988 81.0526 166.624 48.0237 PRESSAVG: 248400 -55.6006 -10.9191 -22.864 -10.9192 -10.2293 15.6949 -22.864 15.6949 50.3096 GPRESSAVG: 248400 -54.5764 -10.2661 -26.6465 -9.27572 -12.2127 15.6911 -19.751 14.8678 51.6334 TIMING: 248400 CPU: 742.382, 0.0030814/step Wall: 742.382, 0.0030814/step, 4.06711 hours remaining, 204.468750 MB of memory in use. ENERGY: 248400 745.1160 2029.2702 1961.5919 113.8030 -206036.8261 17830.3790 0.0000 0.0000 34437.5310 -148919.1350 300.7515 -183356.6660 -148817.7784 300.4903 14.7712 48.5140 557287.6969 -5.1734 -5.0519 PRESSURE: 248600 -248.131 1.05831 -49.3528 1.05697 -271.209 118.614 -49.3523 118.614 -89.929 GPRESSURE: 248600 -255.355 40.6344 -51.6176 -75.1179 -216.629 62.2351 -156.069 107.937 -39.0892 PRESSAVG: 248600 4.77663 -13.3129 12.054 -13.3129 33.3697 20.4308 12.0539 20.4308 -12.4699 GPRESSAVG: 248600 4.30469 -14.8434 12.557 -12.6362 33.5788 20.1276 11.2855 23.408 -12.6666 TIMING: 248600 CPU: 742.988, 0.00302909/step Wall: 742.988, 0.00302909/step, 3.99789 hours remaining, 204.468750 MB of memory in use. ENERGY: 248600 734.8278 2062.9763 1956.0322 113.3568 -205409.3889 17173.2258 0.0000 0.0000 34491.4307 -148877.5393 301.2222 -183368.9700 -148786.2506 300.6906 -203.0896 -170.3577 557251.8532 8.5588 8.4056 PRESSURE: 248800 -18.7285 -14.0535 16.191 -14.053 -325.012 -96.0128 16.1903 -96.0129 -80.5243 GPRESSURE: 248800 -1.84199 23.5974 39.7683 -86.0778 -309.035 -97.012 76.1685 -72.7267 -16.4941 PRESSAVG: 248800 -12.2348 -0.38196 16.1692 -0.38203 -23.5393 -20.4753 16.1693 -20.4754 34.2263 GPRESSAVG: 248800 -13.5904 -1.51485 17.2231 -0.0134315 -21.6402 -20.4866 14.9401 -22.587 34.0002 TIMING: 248800 CPU: 743.594, 0.00302997/step Wall: 743.594, 0.00302997/step, 3.99888 hours remaining, 204.468750 MB of memory in use. ENERGY: 248800 718.0373 2063.4532 1976.3087 110.9385 -205655.9580 17369.6749 0.0000 0.0000 34452.1727 -148965.3727 300.8794 -183417.5454 -148865.1487 300.3627 -141.4215 -109.1238 557651.3449 -0.5160 -0.4101 PRESSURE: 249000 27.3132 25.0021 -84.7778 25.003 -188.842 68.2388 -84.7761 68.2386 51.909 GPRESSURE: 249000 85.4102 2.52703 -33.9189 -0.0808927 -181.95 67.3916 -48.1963 78.7411 78.7226 PRESSAVG: 249000 -4.94418 0.155187 37.2981 0.155283 -48.0855 -30.8378 37.298 -30.8378 17.1661 GPRESSAVG: 249000 -3.18438 1.28756 36.8919 -0.992135 -49.3771 -27.5857 38.4716 -31.6856 16.6431 TIMING: 249000 CPU: 744.197, 0.00301471/step Wall: 744.197, 0.00301471/step, 3.97859 hours remaining, 204.468750 MB of memory in use. ENERGY: 249000 733.0873 2059.9957 1929.6216 116.0206 -205826.9840 17559.0520 0.0000 0.0000 34223.2948 -149205.9119 298.8805 -183429.2067 -149107.7710 299.5801 -36.5398 -5.9391 557440.4824 -11.9545 -11.9728 PRESSURE: 249200 -30.6942 171.102 36.3885 171.101 119.559 68.3153 36.3889 68.3144 -52.9678 GPRESSURE: 249200 16.6501 153.913 17.0878 154.906 172.042 -41.5405 32.735 55.1648 -51.0807 PRESSAVG: 249200 52.1558 3.13395 77.2466 3.13399 5.52637 10.1276 77.2466 10.1275 -43.176 GPRESSAVG: 249200 51.1695 2.51449 76.4612 4.30291 6.70998 6.50754 78.0186 10.1356 -43.798 TIMING: 249200 CPU: 744.802, 0.00302456/step Wall: 744.802, 0.00302456/step, 3.99141 hours remaining, 204.468750 MB of memory in use. ENERGY: 249200 765.9418 2111.1993 1921.2341 116.3171 -206498.2937 17957.0256 0.0000 0.0000 34331.0088 -149295.5670 299.8212 -183626.5758 -149201.6170 300.3825 11.9658 45.8704 557712.3117 4.8354 4.6938 PRESSURE: 249400 304.514 -103.391 -98.3888 -103.389 41.6429 158.601 -98.3892 158.6 -83.7969 GPRESSURE: 249400 345.745 -16.9949 -150.799 -150.668 11.2562 116.579 -157.122 233.468 -6.44978 PRESSAVG: 249400 2.93988 23.2552 15.9322 23.2551 43.1669 -3.26853 15.9321 -3.26858 -15.2519 GPRESSAVG: 249400 1.6339 25.9238 16.7195 22.5015 42.6962 -3.53149 15.9948 -3.76065 -13.8275 TIMING: 249400 CPU: 745.405, 0.00301332/step Wall: 745.405, 0.00301332/step, 3.97641 hours remaining, 204.468750 MB of memory in use. ENERGY: 249400 760.5034 2038.0966 1940.7409 120.5338 -206603.0698 18064.5421 0.0000 0.0000 34426.7647 -149251.8882 300.6575 -183678.6530 -149158.1901 299.6915 87.4534 116.8505 557720.3187 10.2850 10.1675 PRESSURE: 249600 -155.909 -18.4233 103.327 -18.4224 261.214 189.788 103.326 189.788 152.995 GPRESSURE: 249600 -112.306 45.3018 89.5969 -40.5653 232.72 204.093 78.0745 98.1423 243.878 PRESSAVG: 249600 6.88395 21.4239 19.86 21.4239 22.0048 29.8688 19.8601 29.8687 -3.14661 GPRESSAVG: 249600 7.92533 19.902 19.5927 20.9745 21.0736 30.6872 20.4227 30.841 -3.07195 TIMING: 249600 CPU: 746.009, 0.00302218/step Wall: 746.009, 0.00302218/step, 3.98793 hours remaining, 204.468750 MB of memory in use. ENERGY: 249600 729.9428 2073.9708 1941.1526 110.0690 -206061.8035 17865.8292 0.0000 0.0000 34184.3434 -149156.4958 298.5404 -183340.8392 -149063.8143 299.7387 86.0999 121.4307 557766.0895 8.5807 8.6423 PRESSURE: 249800 -133.598 -147.712 77.1348 -147.711 -11.5024 2.62731 77.1341 2.62723 -149.704 GPRESSURE: 249800 -166.713 -151.831 90.8518 -100.584 22.8215 -64.7922 20.3468 40.8406 -69.9435 PRESSAVG: 249800 -29.2799 -78.3865 0.883671 -78.3866 19.8115 40.5546 0.883729 40.5546 -28.025 GPRESSAVG: 249800 -29.8097 -77.8504 2.0273 -78.6359 20.317 42.2236 -0.936506 39.2154 -28.3411 TIMING: 249800 CPU: 746.61, 0.00300628/step Wall: 746.61, 0.00300628/step, 3.96678 hours remaining, 204.468750 MB of memory in use. ENERGY: 249800 781.8513 2117.6093 1930.1842 109.0483 -205939.2301 17600.5629 0.0000 0.0000 34315.1286 -149084.8456 299.6826 -183399.9741 -148993.4023 299.6123 -98.2682 -71.2785 557692.2436 -12.4978 -12.6113 PRESSURE: 250000 48.6156 147.45 -106.601 147.451 183.365 -63.9469 -106.601 -63.9488 83.694 GPRESSURE: 250000 154.527 163.068 -39.4178 176.561 170.19 -31.7538 -93.9532 -44.3426 85.4527 PRESSAVG: 250000 5.3044 -13.5717 -18.3179 -13.5718 35.6841 50.9599 -18.3179 50.9598 7.98393 GPRESSAVG: 250000 6.23891 -15.2136 -19.8752 -11.5113 35.7332 49.0115 -17.4103 53.0535 7.25698 TIMING: 250000 CPU: 747.212, 0.0030068/step Wall: 747.212, 0.0030068/step, 3.96731 hours remaining, 204.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 250000 737.2818 2093.3780 1952.7337 126.5802 -205816.8840 17796.6546 0.0000 0.0000 34094.0265 -149016.2291 297.7516 -183110.2556 -148919.4997 300.2303 105.2247 136.7235 556949.9440 16.3241 16.4097 PRESSURE: 250200 -119.197 -48.8952 95.8139 -48.897 -48.6836 -47.4082 95.8149 -47.4075 -194.4 GPRESSURE: 250200 -66.5848 -49.0195 83.6748 -38.0706 -19.112 11.0039 67.6988 -54.8907 -164.954 PRESSAVG: 250200 -17.4403 -11.0364 -19.8037 -11.0364 38.746 -0.96515 -19.8037 -0.965239 -58.122 GPRESSAVG: 250200 -18.3043 -9.07639 -17.5914 -12.5399 39.0404 0.748739 -21.1942 -4.95989 -57.8266 TIMING: 250200 CPU: 747.814, 0.0030131/step Wall: 747.814, 0.0030131/step, 3.97545 hours remaining, 204.468750 MB of memory in use. ENERGY: 250200 759.4586 2038.2664 1974.4854 118.8801 -205736.1956 17489.8600 0.0000 0.0000 34190.7188 -149164.5263 298.5961 -183355.2451 -149071.9490 299.7328 -120.7600 -83.5503 557273.2637 -12.2721 -12.3635 PRESSURE: 250400 -87.1602 71.2755 -27.8176 71.2754 147.192 -7.98232 -27.8174 -7.98217 1.5845 GPRESSURE: 250400 -38.548 133.025 -86.8464 54.3737 156.945 -46.0585 72.6541 -5.19197 29.6993 PRESSAVG: 250400 55.6218 29.1642 -58.4037 29.1642 -2.23618 30.69 -58.4038 30.69 -9.82216 GPRESSAVG: 250400 55.1863 29.3171 -59.1082 28.2567 -2.59444 29.4617 -56.7419 32.9953 -9.01251 TIMING: 250400 CPU: 748.421, 0.00303207/step Wall: 748.421, 0.00303207/step, 4.00031 hours remaining, 204.468750 MB of memory in use. ENERGY: 250400 705.8435 2127.9296 1945.9878 111.0050 -206011.2596 17649.8347 0.0000 0.0000 34275.3471 -149195.3118 299.3351 -183470.6589 -149099.5824 300.2751 20.5387 49.3653 556257.2259 14.5212 14.5265 PRESSURE: 250600 -273.345 -141.774 148.077 -141.776 -162.154 47.4356 148.076 47.4365 -124.666 GPRESSURE: 250600 -205.396 -149.249 186.213 -50.7908 -148.45 -15.9423 145.177 80.9941 -96.0104 PRESSAVG: 250600 -0.491032 30.239 -68.7953 30.239 41.2853 23.0212 -68.7954 23.0212 -29.1844 GPRESSAVG: 250600 0.702034 28.413 -67.3775 31.2463 40.9271 24.0228 -69.0235 21.6699 -30.5924 TIMING: 250600 CPU: 749.019, 0.00299293/step Wall: 749.019, 0.00299293/step, 3.9485 hours remaining, 204.468750 MB of memory in use. ENERGY: 250600 749.8828 2074.1584 1956.7322 96.5626 -205927.7914 17518.8350 0.0000 0.0000 34278.3937 -149253.2268 299.3617 -183531.6205 -149156.0464 299.9961 -186.7213 -149.9523 557311.0982 3.8699 3.6789 PRESSURE: 250800 -21.3403 62.1052 138.892 62.1039 -231.037 71.3504 138.891 71.3505 -69.1876 GPRESSURE: 250800 2.96083 93.9795 151.164 -17.479 -133.244 139.64 158.875 81.8247 -86.8117 PRESSAVG: 250800 -33.2188 15.3513 33.3909 15.3513 -1.27677 -1.69715 33.391 -1.69704 25.1104 GPRESSAVG: 250800 -33.3505 17.8553 32.1745 13.5578 -2.02951 -2.53339 32.8368 -1.18773 25.8184 TIMING: 250800 CPU: 749.62, 0.00300197/step Wall: 749.62, 0.00300197/step, 3.96027 hours remaining, 204.468750 MB of memory in use. ENERGY: 250800 755.1701 2081.2462 1931.1406 113.6273 -206027.9435 17739.5282 0.0000 0.0000 34240.3884 -149166.8427 299.0298 -183407.2311 -149066.3707 299.2417 -107.1883 -72.3648 556499.7117 -3.1284 -3.1872 PRESSURE: 251000 -139.181 -31.0638 -32.4499 -31.065 24.7815 -92.0879 -32.4498 -92.0884 29.6953 GPRESSURE: 251000 -120.659 -47.703 -6.36184 -11.4731 79.5668 -72.718 58.8427 -180.533 55.8662 PRESSAVG: 251000 40.9379 20.9169 -7.40158 20.917 -52.6596 -3.10772 -7.40158 -3.10777 32.1315 GPRESSAVG: 251000 40.7513 18.4269 -9.07172 22.7635 -51.4502 -3.59727 -6.14729 -3.60144 31.5058 TIMING: 251000 CPU: 750.221, 0.00300777/step Wall: 750.221, 0.00300777/step, 3.96776 hours remaining, 204.468750 MB of memory in use. ENERGY: 251000 724.8524 2097.2873 1925.8109 104.2285 -206008.9108 17659.6051 0.0000 0.0000 34286.7108 -149210.4158 299.4344 -183497.1266 -149110.9045 299.3610 -28.2348 4.9247 558295.4781 6.8033 6.9356 PRESSURE: 251200 -149.985 137.115 -59.9148 137.115 -190.705 7.4388 -59.9149 7.43751 -211.626 GPRESSURE: 251200 -112.753 82.9647 -31.1498 125.307 -180.838 -9.23302 -111.477 -9.65001 -151.211 PRESSAVG: 251200 14.4002 -9.34813 -54.6991 -9.3482 -19.5229 -47.8193 -54.6991 -47.8194 48.0758 GPRESSAVG: 251200 13.8764 -10.7668 -54.7454 -7.36492 -19.6587 -45.6456 -54.943 -49.6101 48.5022 TIMING: 251200 CPU: 750.826, 0.00302398/step Wall: 750.826, 0.00302398/step, 3.98897 hours remaining, 204.468750 MB of memory in use. ENERGY: 251200 738.4222 2147.6747 1939.7944 116.3299 -205821.2024 17548.8632 0.0000 0.0000 34153.6496 -149176.4683 298.2723 -183330.1179 -149077.5253 299.5320 -184.1056 -148.2674 558340.4810 14.3177 14.2400 PRESSURE: 251400 -85.9012 36.0917 73.1385 36.0904 -110.497 98.8461 73.1392 98.845 44.67 GPRESSURE: 251400 -48.709 68.6787 37.0576 -35.2655 -73.7272 151.46 116.142 67.5409 56.5905 PRESSAVG: 251400 -33.5792 -34.7929 -49.5593 -34.793 32.6717 -1.7172 -49.5593 -1.7171 13.6242 GPRESSAVG: 251400 -33.5162 -33.3781 -48.7769 -35.5767 32.5395 -3.10267 -50.3883 0.97237 13.813 TIMING: 251400 CPU: 751.434, 0.00303759/step Wall: 751.434, 0.00303759/step, 4.00675 hours remaining, 204.468750 MB of memory in use. ENERGY: 251400 770.0351 2100.0539 1947.2115 112.3668 -206190.6070 17688.1752 0.0000 0.0000 34184.2773 -149388.4871 298.5398 -183572.7645 -149286.4727 298.7348 -50.5760 -21.9486 557729.3562 4.2389 4.2787 PRESSURE: 251600 -114.46 -106.145 -16.9379 -106.144 16.6985 208.138 -16.9369 208.139 -56.4564 GPRESSURE: 251600 -51.2078 -165.696 86.6103 -42.7878 -1.5484 212.47 -2.72113 273.747 7.02524 PRESSAVG: 251600 10.7485 0.32384 -27.9678 0.323869 -28.7578 76.6936 -27.9678 76.6936 15.0529 GPRESSAVG: 251600 9.70324 -0.0212523 -28.3942 -1.17011 -28.2283 77.4076 -26.0477 75.6658 15.6458 TIMING: 251600 CPU: 752.035, 0.00300962/step Wall: 752.035, 0.00300962/step, 3.96969 hours remaining, 204.468750 MB of memory in use. ENERGY: 251600 784.5317 2073.1418 1968.9394 106.6448 -206422.1091 17953.9708 0.0000 0.0000 34266.5436 -149268.3370 299.2582 -183534.8806 -149165.6220 299.7077 -51.4061 -15.2437 558319.8012 -0.9855 -0.9598 PRESSURE: 251800 -147.14 -2.29309 141.527 -2.29409 -100.537 -84.4689 141.527 -84.4673 -294.848 GPRESSURE: 251800 -112.163 50.9309 124.369 -94.7462 -63.1539 -98.335 43.4755 -76.7404 -266.5 PRESSAVG: 251800 -0.0154764 28.9719 13.5689 28.9719 52.0123 18.684 13.5689 18.6839 -66.1526 GPRESSAVG: 251800 1.59204 30.185 13.6224 30.4193 51.3262 17.3719 11.1185 18.175 -66.7111 TIMING: 251800 CPU: 752.632, 0.00298431/step Wall: 752.632, 0.00298431/step, 3.93614 hours remaining, 204.468750 MB of memory in use. ENERGY: 251800 759.2635 2087.5588 1962.5420 109.7536 -206039.9594 17488.0032 0.0000 0.0000 34239.8670 -149392.9714 299.0253 -183632.8384 -149298.1031 299.0790 -180.8416 -147.2721 558205.5677 -4.7186 -4.5976 PRESSURE: 252000 25.4703 81.0504 15.8702 81.0502 -65.1416 154.796 15.8708 154.797 70.9349 GPRESSURE: 252000 79.1427 24.0529 -54.1571 108.21 -56.2319 137.489 61.7669 180.955 98.9434 PRESSAVG: 252000 19.1146 21.8642 16.4482 21.8643 -26.3905 -0.312836 16.4484 -0.312736 -55.7236 GPRESSAVG: 252000 19.3289 22.6968 14.8684 20.7343 -24.7172 -0.298308 17.7673 1.58622 -56.9752 TIMING: 252000 CPU: 753.234, 0.00300806/step Wall: 753.234, 0.00300806/step, 3.9673 hours remaining, 204.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 252000 681.4654 2040.4833 1948.4244 110.7974 -206100.3127 17766.4199 0.0000 0.0000 34000.6297 -149552.0926 296.9360 -183552.7223 -149449.5567 298.7977 10.4212 40.6181 558480.0511 -20.9998 -20.7878 PRESSURE: 252200 -187.305 13.6596 35.2145 13.6602 -71.101 -220.251 35.2143 -220.252 -89.1966 GPRESSURE: 252200 -153.749 113.27 -25.5742 -58.4608 -32.5008 -264.78 101.614 -124.586 -74.3952 PRESSAVG: 252200 2.09404 28.2273 16.5844 28.2273 64.5123 -42.0632 16.5844 -42.0631 18.9051 GPRESSAVG: 252200 1.13996 27.1319 17.433 31.185 64.2394 -41.3873 14.5988 -40.7432 19.7984 TIMING: 252200 CPU: 753.839, 0.00302777/step Wall: 753.839, 0.00302777/step, 3.99312 hours remaining, 204.468750 MB of memory in use. ENERGY: 252200 748.7760 2067.8122 1941.2885 108.1682 -206555.0722 17860.5315 0.0000 0.0000 34139.8214 -149688.6744 298.1516 -183828.4958 -149591.6159 298.1811 -115.8676 -86.8816 557777.2177 28.5038 28.3926 LDB: ============= START OF LOAD BALANCING ============== 757.358 LDB: ============== END OF LOAD BALANCING =============== 757.358 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 757.36 LDB: ============= START OF LOAD BALANCING ============== 757.661 LDB: Largest compute 4773 load 0.031763 is 27.0% of average load 0.117825 LDB: Average compute 0.001728 is 1.5% of average load 0.117825 LDB: TIME 757.663 LOAD: AVG 0.117825 MAX 0.212334 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.18 MB LDB: TIME 757.664 LOAD: AVG 0.117825 MAX 0.212334 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.383 MB LDB: TIME 757.664 LOAD: AVG 0.117825 MAX 0.212334 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.383 MB LDB: ============== END OF LOAD BALANCING =============== 757.665 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 757.669 PRESSURE: 252400 206.975 -124.916 71.6137 -124.916 -33.3365 -28.3118 71.6145 -28.3114 -35.8011 GPRESSURE: 252400 240.66 -81.075 36.1744 -98.9851 -8.20789 -16.0449 139.494 -53.3743 11.7501 PRESSAVG: 252400 54.0127 16.2616 58.2149 16.2614 11.3532 23.9484 58.2149 23.9485 -46.5935 GPRESSAVG: 252400 54.6329 16.4161 59.0037 13.3809 11.3262 23.9526 60.2368 23.8687 -47.4611 TIMING: 252400 CPU: 754.453, 0.00306658/step Wall: 754.453, 0.00306658/step, 4.04414 hours remaining, 204.925781 MB of memory in use. ENERGY: 252400 746.5556 2130.6523 1954.4047 97.4132 -206693.7835 17959.3488 0.0000 0.0000 34157.5316 -149647.8773 298.3062 -183805.4089 -149556.0701 297.6403 45.9457 81.4008 557997.3315 6.2574 6.1660 PRESSURE: 252600 -80.411 -372.706 112.555 -372.705 -199.896 -76.8841 112.555 -76.8841 -400.68 GPRESSURE: 252600 -51.4819 -348.673 176.403 -355.864 -153.286 -53.7876 102.782 -154.041 -379.502 PRESSAVG: 252600 48.5019 -43.6865 33.2888 -43.6865 19.6611 -34.4655 33.2888 -34.4655 -95.5487 GPRESSAVG: 252600 48.3806 -43.6134 32.3713 -41.5702 19.1241 -33.1255 33.0581 -35.3668 -94.7444 TIMING: 252600 CPU: 755.051, 0.0029929/step Wall: 755.051, 0.0029929/step, 3.9468 hours remaining, 204.925781 MB of memory in use. ENERGY: 252600 770.3170 2114.5358 1914.9727 132.3053 -206195.3466 17666.8698 0.0000 0.0000 33990.8722 -149605.4738 296.8507 -183596.3460 -149514.7826 297.8306 -226.9956 -194.7566 558664.6514 -9.1285 -9.0799 PRESSURE: 252800 268.217 -53.8865 46.4339 -53.8861 -212.959 113.804 46.4344 113.804 22.9197 GPRESSURE: 252800 273.638 -68.8332 81.3944 7.5138 -168.013 133.588 67.4248 58.236 74.9135 PRESSAVG: 252800 41.1067 -57.3373 53.332 -57.3372 17.5829 -9.62021 53.3321 -9.62016 -30.0564 GPRESSAVG: 252800 40.5073 -57.7793 55.3221 -59.9717 16.53 -11.3118 52.3624 -9.82183 -28.4061 TIMING: 252800 CPU: 755.647, 0.00297976/step Wall: 755.647, 0.00297976/step, 3.92931 hours remaining, 204.925781 MB of memory in use. ENERGY: 252800 759.8255 2094.3073 1914.5672 98.3972 -206212.8490 17851.1879 0.0000 0.0000 33990.4693 -149504.0946 296.8472 -183494.5640 -149401.8470 298.6931 26.0594 60.1797 556427.2419 9.5444 9.5437 PRESSURE: 253000 -9.4557 -25.9876 29.6392 -25.9875 -210.913 47.6372 29.6386 47.6365 -73.4331 GPRESSURE: 253000 11.1987 15.6829 -32.0271 -84.7555 -167.584 8.26031 85.269 45.8405 -42.4887 PRESSAVG: 253000 0.142568 -65.5249 14.7653 -65.5249 -12.2968 -11.066 14.7652 -11.0661 -39.9541 GPRESSAVG: 253000 0.0483347 -65.7475 14.148 -64.3869 -11.0459 -12.5323 15.4817 -11.2598 -40.8728 TIMING: 253000 CPU: 756.249, 0.00300744/step Wall: 756.249, 0.00300744/step, 3.96564 hours remaining, 204.925781 MB of memory in use. ENERGY: 253000 749.3790 2094.4279 1945.5499 127.4602 -206108.8810 17646.9487 0.0000 0.0000 34186.9352 -149358.1801 298.5630 -183545.1153 -149260.0178 298.4813 -97.9339 -66.2912 556835.2307 -17.3694 -17.2901 PRESSURE: 253200 15.8634 39.3119 3.07368 39.3136 -4.11812 71.8878 3.07373 71.8862 -313.33 GPRESSURE: 253200 60.6673 118.521 23.9722 -26.5422 12.248 129.34 -3.81187 82.3285 -292.535 PRESSAVG: 253200 33.7715 -48.8763 13.7118 -48.8763 46.7142 43.632 13.7118 43.632 -53.0624 GPRESSAVG: 253200 33.6531 -47.6526 12.6952 -48.3362 47.155 45.7255 12.6623 42.911 -53.1619 TIMING: 253200 CPU: 756.845, 0.00298177/step Wall: 756.845, 0.00298177/step, 3.93163 hours remaining, 204.925781 MB of memory in use. ENERGY: 253200 743.6495 2089.9116 1952.8279 109.7841 -206156.2698 17632.9844 0.0000 0.0000 34170.4221 -149456.6902 298.4188 -183627.1123 -149355.8437 298.7859 -100.5282 -73.2066 558080.9237 9.1411 9.2154 PRESSURE: 253400 -134.271 -94.1395 -221.757 -94.1392 -123.081 216.475 -221.759 216.474 -248.942 GPRESSURE: 253400 -59.8037 -81.9305 -176.086 -86.8678 -139.22 257.224 -285.514 246.952 -213.53 PRESSAVG: 253400 -51.7485 -32.3311 40.1205 -32.3311 14.875 22.2685 40.1205 22.2684 2.56887 GPRESSAVG: 253400 -49.9976 -33.2299 40.2882 -32.9139 13.9403 23.8117 40.8723 21.2427 1.76598 TIMING: 253400 CPU: 757.446, 0.00300241/step Wall: 757.446, 0.00300241/step, 3.95868 hours remaining, 204.925781 MB of memory in use. ENERGY: 253400 762.7887 2064.3587 1939.0356 109.6866 -206283.7959 17714.1518 0.0000 0.0000 34259.0862 -149434.6882 299.1931 -183693.7745 -149338.3280 298.7699 -168.7649 -137.5179 558266.9352 -11.4349 -11.4304 PRESSURE: 253600 58.0369 193.167 -67.0541 193.167 -38.5577 -56.0891 -67.0552 -56.0887 -163.757 GPRESSURE: 253600 171.508 163.021 -22.7026 128.083 -68.7547 1.32862 -74.6191 -96.2278 -148.249 PRESSAVG: 253600 -30.5211 -6.9753 49.9974 -6.97538 25.5965 18.2383 49.9974 18.2383 -18.2208 GPRESSAVG: 253600 -30.0473 -6.88747 49.2003 -6.66227 24.575 16.426 50.9616 18.9444 -17.5757 TIMING: 253600 CPU: 758.043, 0.00298686/step Wall: 758.043, 0.00298686/step, 3.93801 hours remaining, 204.925781 MB of memory in use. ENERGY: 253600 755.4524 2176.5650 1940.2774 116.8401 -206411.8020 18062.3466 0.0000 0.0000 34016.4959 -149343.8247 297.0745 -183360.3206 -149254.2060 298.4526 -48.0927 -15.1653 557564.9895 -7.7151 -7.6827 PRESSURE: 253800 10.9746 127.07 -21.5446 127.069 -223.795 31.7324 -21.5453 31.7328 93.7593 GPRESSURE: 253800 -19.9574 44.0465 -2.42444 172.955 -188.288 110.753 -51.783 27.741 192.694 PRESSAVG: 253800 1.49406 56.9075 38.6851 56.9076 -39.9717 25.9425 38.685 25.9424 38.1595 GPRESSAVG: 253800 0.522966 57.0071 39.9452 56.9731 -39.1389 25.619 38.8613 26.6337 38.3241 TIMING: 253800 CPU: 758.642, 0.00299451/step Wall: 758.642, 0.00299451/step, 3.94793 hours remaining, 204.925781 MB of memory in use. ENERGY: 253800 757.3679 2113.8611 1923.5017 107.6649 -206076.6304 17719.7777 0.0000 0.0000 34248.4239 -149206.0332 299.1000 -183454.4572 -149111.1885 299.0124 -39.6871 -5.1837 557397.7366 -0.1060 -0.0973 PRESSURE: 254000 -176.237 77.541 8.94173 77.5405 201.975 34.9333 8.94165 34.9349 18.4075 GPRESSURE: 254000 -126.326 56.9398 73.1165 133.251 170.953 79.5461 -31.2307 47.5438 97.6601 PRESSAVG: 254000 24.705 34.9845 13.1105 34.9845 -9.78655 -20.9437 13.1105 -20.9436 11.3255 GPRESSAVG: 254000 25.1874 35.001 12.1128 35.3848 -9.90644 -19.7423 13.474 -20.5074 10.4827 TIMING: 254000 CPU: 759.248, 0.0030328/step Wall: 759.248, 0.0030328/step, 3.99825 hours remaining, 204.925781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 254000 765.5470 2049.2175 1971.9898 122.6748 -206430.6363 17964.6428 0.0000 0.0000 34283.9148 -149272.6497 299.4100 -183556.5646 -149168.1159 299.4592 14.7150 47.4288 556579.2093 8.7480 8.5879 PRESSURE: 254200 300.172 98.0158 87.217 98.0185 23.4111 -103.159 87.2159 -103.162 125.719 GPRESSURE: 254200 309.779 144.057 148.423 92.3145 77.0083 -158.063 -33.1053 -7.46461 149.205 PRESSAVG: 254200 -50.8224 33.2213 -27.255 33.2213 4.7967 -45.4156 -27.2551 -45.4156 27.3498 GPRESSAVG: 254200 -52.3915 32.5707 -26.101 33.0444 4.87914 -44.0904 -29.2992 -47.2893 28.4916 TIMING: 254200 CPU: 759.845, 0.00298137/step Wall: 759.845, 0.00298137/step, 3.93028 hours remaining, 204.925781 MB of memory in use. ENERGY: 254200 763.7623 2096.7095 1966.1421 119.0011 -206758.5975 18168.5088 0.0000 0.0000 34267.3044 -149377.1692 299.2649 -183644.4737 -149287.9245 299.5294 149.7674 178.6642 557140.2769 -6.2253 -6.3403 PRESSURE: 254400 -314.965 41.7143 -84.5589 41.7144 -151.859 13.9741 -84.5597 13.9746 146.025 GPRESSURE: 254400 -239.133 20.8129 -45.6711 42.6525 -106.069 -5.50292 -66.0637 9.42899 121.109 PRESSAVG: 254400 -11.9032 10.3279 49.9931 10.3279 -30.0642 12.0634 49.993 12.0634 79.1775 GPRESSAVG: 254400 -12.3017 10.2903 50.2107 10.4097 -29.5993 13.1105 53.1407 11.5728 78.9086 TIMING: 254400 CPU: 760.442, 0.00298621/step Wall: 760.442, 0.00298621/step, 3.93649 hours remaining, 204.925781 MB of memory in use. ENERGY: 254400 742.7547 2128.7365 1944.7663 110.7367 -206085.3986 17665.9988 0.0000 0.0000 34173.4029 -149319.0027 298.4448 -183492.4056 -149218.8385 298.3584 -106.9328 -74.6974 557242.6919 12.4033 12.3359 PRESSURE: 254600 -364.402 35.0859 202.91 35.0844 -81.6416 -20.9132 202.91 -20.9143 55.8538 GPRESSURE: 254600 -280.582 45.034 70.8935 22.1636 -125.964 -83.2852 147.882 0.901562 115.79 PRESSAVG: 254600 -53.8259 68.1819 -30.9407 68.1819 -10.3334 -6.9478 -30.9407 -6.94775 54.205 GPRESSAVG: 254600 -54.1042 68.6806 -30.3247 66.541 -11.2148 -9.35069 -33.6195 -6.99307 55.0647 TIMING: 254600 CPU: 761.042, 0.003001/step Wall: 761.042, 0.003001/step, 3.95582 hours remaining, 204.925781 MB of memory in use. ENERGY: 254600 777.6302 2110.3500 1932.1943 114.9955 -206494.9221 17819.8009 0.0000 0.0000 34350.0422 -149389.9090 299.9875 -183739.9512 -149294.5549 298.7653 -130.0632 -96.9186 558455.2853 -3.3181 -3.4181 PRESSURE: 254800 -151.875 26.3489 -48.1196 26.3481 -211.775 59.388 -48.1191 59.3899 -173.404 GPRESSURE: 254800 -158.571 20.5254 -121.082 -20.968 -169.769 35.8063 89.3001 107.794 -106.547 PRESSAVG: 254800 -5.51474 16.651 -40.9568 16.6509 30.8227 -33.7543 -40.9567 -33.7544 10.4516 GPRESSAVG: 254800 -4.86428 16.8549 -42.1717 17.3185 30.6061 -33.7045 -39.2798 -31.0797 10.1271 TIMING: 254800 CPU: 761.64, 0.00298867/step Wall: 761.64, 0.00298867/step, 3.9394 hours remaining, 204.925781 MB of memory in use. ENERGY: 254800 793.6852 2091.1514 1957.7510 114.4265 -206327.8040 17723.5257 0.0000 0.0000 34166.2192 -149481.0449 298.3821 -183647.2641 -149386.2084 298.9949 -179.0181 -144.9622 557899.9392 11.9198 11.9563 PRESSURE: 255000 25.4434 17.0153 -56.2885 17.0149 -82.2125 -122.417 -56.2899 -122.415 -10.026 GPRESSURE: 255000 65.7915 56.6318 26.6869 -43.827 -83.2287 -177.963 -26.0005 -60.878 39.9544 PRESSAVG: 255000 -21.2525 48.5385 7.55893 48.5385 -28.3664 -40.2547 7.55896 -40.2549 68.5701 GPRESSAVG: 255000 -21.0791 48.5739 9.05522 47.4634 -27.7968 -39.4758 8.39039 -42.5135 67.5704 TIMING: 255000 CPU: 762.237, 0.00298625/step Wall: 762.237, 0.00298625/step, 3.93604 hours remaining, 204.925781 MB of memory in use. ENERGY: 255000 768.9727 2120.9343 1952.7291 108.9392 -206118.0684 17811.2101 0.0000 0.0000 34233.9120 -149121.3710 298.9733 -183355.2830 -149012.7683 299.6730 -22.2650 7.5057 558081.5109 6.3171 6.2315 PRESSURE: 255200 -60.0067 -103.465 11.8014 -103.465 -93.2727 25.0474 11.8005 25.0462 11.5544 GPRESSURE: 255200 -88.0617 -141.732 -64.9854 -54.6305 -29.3549 63.1712 -58.4375 -6.4464 62.577 PRESSAVG: 255200 -83.6797 -8.72226 -4.66057 -8.72225 -6.41046 27.6105 -4.66052 27.6105 98.4627 GPRESSAVG: 255200 -83.4694 -11.2014 -5.4637 -4.51552 -6.54014 26.3269 -5.43203 28.2678 98.3181 TIMING: 255200 CPU: 762.835, 0.00298862/step Wall: 762.835, 0.00298862/step, 3.939 hours remaining, 204.925781 MB of memory in use. ENERGY: 255200 744.4014 2105.6305 1967.7843 110.5128 -206358.2108 17910.9098 0.0000 0.0000 34371.7923 -149147.1798 300.1774 -183518.9721 -149042.7429 300.2991 -47.2417 -18.2799 557432.8328 2.7909 2.7695 PRESSURE: 255400 217.79 -144.084 -181.556 -144.082 26.5233 -26.6167 -181.555 -26.6171 40.7281 GPRESSURE: 255400 247.772 -90.9467 -223.693 -99.7096 19.581 -45.5303 -173.829 -60.9322 103.644 PRESSAVG: 255400 -46.863 10.6854 -26.8598 10.6855 9.14881 27.2035 -26.8598 27.2034 46.2466 GPRESSAVG: 255400 -47.0717 12.4128 -28.1243 8.06515 8.28348 27.9608 -28.3039 26.3546 46.8634 TIMING: 255400 CPU: 763.437, 0.0030089/step Wall: 763.437, 0.0030089/step, 3.96557 hours remaining, 204.925781 MB of memory in use. ENERGY: 255400 729.5805 2127.4316 1962.3303 105.5657 -206179.5917 17860.9422 0.0000 0.0000 34332.8154 -149060.9260 299.8370 -183393.7413 -148961.4217 299.7219 95.0137 123.6655 558153.5433 2.8441 2.6917 PRESSURE: 255600 58.3162 -73.2582 -21.6385 -73.259 34.617 16.4428 -21.6382 16.4433 334.728 GPRESSURE: 255600 115.84 -82.4484 11.9661 27.7811 47.8209 -40.0844 1.61306 61.9666 341.833 PRESSAVG: 255600 -9.33791 -21.919 -21.4784 -21.919 49.4771 27.6393 -21.4784 27.6392 -32.3206 GPRESSAVG: 255600 -8.48826 -21.2324 -18.4997 -22.9065 48.3757 28.366 -21.5762 28.287 -31.8839 TIMING: 255600 CPU: 764.046, 0.00304482/step Wall: 764.046, 0.00304482/step, 4.01273 hours remaining, 204.925781 MB of memory in use. ENERGY: 255600 747.0136 2105.3594 1943.5961 120.1298 -206433.5813 17982.5738 0.0000 0.0000 34359.9509 -149174.9577 300.0740 -183534.9086 -149080.3654 299.6541 142.5539 168.4980 555893.9318 2.6062 2.6679 PRESSURE: 255800 246.739 -90.4796 -59.1856 -90.4806 -88.2491 33.283 -59.1863 33.283 27.4808 GPRESSURE: 255800 284.38 -33.3537 -115.969 -137.321 -43.6219 58.828 19.7579 13.3596 45.509 PRESSAVG: 255800 -53.937 -22.3351 -12.8268 -22.3351 49.4439 -5.94298 -12.8268 -5.94296 -13.549 GPRESSAVG: 255800 -54.5591 -22.1484 -13.9643 -24.0549 51.7352 -7.92035 -12.6662 -4.81755 -14.5013 TIMING: 255800 CPU: 764.646, 0.00300427/step Wall: 764.646, 0.00300427/step, 3.95913 hours remaining, 205.218750 MB of memory in use. ENERGY: 255800 743.8879 2064.0588 1920.0706 126.5184 -206574.9931 17994.7689 0.0000 0.0000 34474.3255 -149251.3629 301.0729 -183725.6885 -149148.4990 299.2892 61.9902 95.4222 556934.5518 -6.0140 -5.7751 PRESSURE: 256000 37.7523 -6.18612 26.2521 -6.18722 -20.3382 147.641 26.2516 147.641 77.2785 GPRESSURE: 256000 128.391 -40.0563 44.5088 -98.2302 -21.5285 118.186 -22.3812 214.652 76.2817 PRESSAVG: 256000 50.0019 -13.018 -45.7625 -13.0179 -68.1028 7.9009 -45.7625 7.90079 -6.11881 GPRESSAVG: 256000 50.9283 -14.4427 -46.3344 -11.428 -69.427 6.68965 -45.5929 7.36515 -5.48843 TIMING: 256000 CPU: 765.251, 0.00302378/step Wall: 765.251, 0.00302378/step, 3.98467 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: 256000 782.5649 2101.6226 1938.2643 113.5485 -206137.0147 17760.6066 0.0000 0.0000 34128.7896 -149311.6181 298.0552 -183440.4078 -149217.8970 298.9915 31.5642 61.0481 555427.4221 -8.0732 -7.9957 PRESSURE: 256200 -33.6033 119.431 -28.9161 119.431 46.3132 51.1034 -28.9148 51.1036 318.269 GPRESSURE: 256200 -24.0932 203.487 -38.3852 52.3575 60.8473 -17.1456 -122.435 -2.78688 384.517 PRESSAVG: 256200 -16.9988 49.8552 -6.29716 49.8552 15.8441 26.0949 -6.29701 26.0949 30.157 GPRESSAVG: 256200 -16.8339 51.4077 -7.15161 49.028 16.0946 27.0709 -7.15842 26.3837 30.034 TIMING: 256200 CPU: 765.855, 0.00301793/step Wall: 765.855, 0.00301793/step, 3.97679 hours remaining, 205.218750 MB of memory in use. ENERGY: 256200 730.4087 2063.1017 1942.2199 112.7054 -206522.0829 17927.7575 0.0000 0.0000 34371.3125 -149374.5771 300.1732 -183745.8896 -149273.0819 299.1652 110.3264 140.4236 554147.3258 9.6675 9.7649 LDB: ============= START OF LOAD BALANCING ============== 769.373 LDB: ============== END OF LOAD BALANCING =============== 769.373 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 769.375 LDB: ============= START OF LOAD BALANCING ============== 769.678 LDB: Largest compute 4773 load 0.031313 is 26.6% of average load 0.117800 LDB: Average compute 0.001736 is 1.5% of average load 0.117800 LDB: TIME 769.68 LOAD: AVG 0.1178 MAX 0.213103 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.848 MB LDB: TIME 769.68 LOAD: AVG 0.1178 MAX 0.213103 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.848 MB LDB: TIME 769.681 LOAD: AVG 0.1178 MAX 0.213103 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.848 MB LDB: ============== END OF LOAD BALANCING =============== 769.683 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 769.687 PRESSURE: 256400 47.7572 85.3387 28.1502 85.3399 158.774 145.206 28.1488 145.206 141.554 GPRESSURE: 256400 119.328 127.56 18.919 82.0895 186.241 146.737 63.7512 132.006 148.819 PRESSAVG: 256400 43.1207 26.225 27.8142 26.2251 -51.9251 21.3283 27.8141 21.3282 47.6139 GPRESSAVG: 256400 43.0849 24.456 28.8974 24.626 -51.0788 22.9189 28.9449 18.8429 47.9719 TIMING: 256400 CPU: 766.47, 0.00307659/step Wall: 766.47, 0.00307659/step, 4.05391 hours remaining, 205.976562 MB of memory in use. ENERGY: 256400 752.7452 2152.1914 1944.9275 107.6803 -206777.9168 17981.1329 0.0000 0.0000 34524.7001 -149314.5394 301.5128 -183839.2395 -149217.9080 298.7883 116.0282 151.4628 554976.2079 12.9365 13.3260 PRESSURE: 256600 -123.683 -12.0561 -165.807 -12.0558 -137.945 72.4253 -165.807 72.4251 -89.399 GPRESSURE: 256600 -110.196 37.591 -236.19 -98.9119 -83.8317 86.4252 -123.676 -32.3935 -66.0194 PRESSAVG: 256600 -43.3767 -36.6445 -28.9805 -36.6445 -68.6281 3.60189 -28.9805 3.60186 92.1242 GPRESSAVG: 256600 -43.8267 -37.5956 -29.0662 -34.1347 -67.9144 2.21979 -29.7466 5.3217 91.9618 TIMING: 256600 CPU: 767.079, 0.00304286/step Wall: 767.079, 0.00304286/step, 4.0093 hours remaining, 205.976562 MB of memory in use. ENERGY: 256600 729.3946 2049.5885 1936.4822 119.3705 -206060.0956 17634.9289 0.0000 0.0000 34250.2956 -149340.0353 299.1163 -183590.3309 -149239.7652 298.7132 -117.0090 -86.6825 557314.7220 -6.6269 -6.5931 PRESSURE: 256800 7.13347 29.6563 -119.549 29.6558 -215.465 121.292 -119.549 121.292 -75.427 GPRESSURE: 256800 -79.0784 -11.61 -190.832 77.1656 -92.5082 84.3101 -20.8373 100.838 -15.1257 PRESSAVG: 256800 33.2455 91.5413 -16.567 91.5414 -42.5859 -8.31767 -16.5669 -8.31761 16.9466 GPRESSAVG: 256800 34.3468 94.7846 -17.0997 90.8702 -43.2895 -8.52073 -15.4461 -6.77087 16.7027 TIMING: 256800 CPU: 767.686, 0.00303663/step Wall: 767.686, 0.00303663/step, 4.00093 hours remaining, 205.976562 MB of memory in use. ENERGY: 256800 745.2902 2089.6131 1928.1083 107.8128 -206208.1106 17803.3886 0.0000 0.0000 34070.7695 -149463.1280 297.5485 -183533.8975 -149375.0752 298.6243 -94.5862 -62.2375 557290.9091 2.5354 2.5867 PRESSURE: 257000 68.7493 -103.533 18.7787 -103.533 -52.1927 137.387 18.7788 137.386 -245.132 GPRESSURE: 257000 86.9779 -74.2374 -2.32976 -174.031 -32.4829 153.646 46.5521 97.9557 -193.253 PRESSAVG: 257000 60.9333 33.5952 17.6394 33.595 -43.323 35.2517 17.6393 35.2516 -3.92686 GPRESSAVG: 257000 60.5347 32.4539 17.3933 32.1233 -43.2706 33.9032 17.0642 34.2085 -3.77389 TIMING: 257000 CPU: 768.289, 0.00301425/step Wall: 768.289, 0.00301425/step, 3.97127 hours remaining, 205.976562 MB of memory in use. ENERGY: 257000 781.1990 2024.4735 1932.0306 116.5422 -206444.2805 17855.6659 0.0000 0.0000 34197.7137 -149536.6556 298.6571 -183734.3692 -149444.8559 299.1983 -76.1918 -46.2526 557574.1029 4.5611 4.4967 PRESSURE: 257200 -171.112 -90.5767 216.65 -90.5773 -448.965 85.4691 216.651 85.4698 -349.931 GPRESSURE: 257200 -107.046 3.68099 174.772 -67.1209 -413.009 78.9582 227.27 51.056 -354.816 PRESSAVG: 257200 1.33144 -51.0544 44.4207 -51.0545 59.5152 -54.6096 44.4208 -54.6096 -45.9804 GPRESSAVG: 257200 0.56011 -49.1269 45.0213 -51.6588 59.8828 -51.8126 46.5243 -55.2984 -46.3087 TIMING: 257200 CPU: 768.893, 0.0030184/step Wall: 768.893, 0.0030184/step, 3.97657 hours remaining, 205.976562 MB of memory in use. ENERGY: 257200 792.5002 2086.9440 1951.3043 111.9641 -205947.7966 17403.1515 0.0000 0.0000 34059.0184 -149542.9141 297.4459 -183601.9325 -149441.6434 298.2299 -323.3361 -291.6236 558771.6475 4.9554 4.7114 PRESSURE: 257400 91.4502 -34.3427 -72.4634 -34.3435 -34.7926 123.572 -72.4639 123.571 23.2116 GPRESSURE: 257400 190.795 -34.746 -69.1628 0.0153074 -26.9346 160.909 -19.8567 102.905 19.8874 PRESSAVG: 257400 49.2258 12.4764 29.2449 12.4763 2.93524 -34.37 29.245 -34.3699 -13.0284 GPRESSAVG: 257400 48.4219 9.45481 29.8597 15.5668 2.99214 -36.8946 27.904 -33.5683 -12.4894 TIMING: 257400 CPU: 769.496, 0.00301668/step Wall: 769.496, 0.00301668/step, 3.97414 hours remaining, 205.976562 MB of memory in use. ENERGY: 257400 730.1017 2093.9660 1939.1236 106.9083 -206550.2525 17893.2286 0.0000 0.0000 34131.6835 -149655.2408 298.0805 -183786.9242 -149562.9415 297.8655 26.6231 61.2492 556918.6523 13.0442 12.9749 PRESSURE: 257600 -451.964 59.4137 -124.579 59.414 -68.9504 73.4154 -124.579 73.4158 -263.785 GPRESSURE: 257600 -419.515 82.2369 -174.283 43.66 -58.92 4.80057 -79.2888 119.746 -186.991 PRESSAVG: 257600 77.8034 42.6199 -7.70361 42.6199 -45.5505 7.78891 -7.70357 7.78899 30.8572 GPRESSAVG: 257600 79.0203 44.1993 -9.0716 42.3077 -45.2534 9.24104 -8.05592 7.13486 29.8922 TIMING: 257600 CPU: 770.101, 0.00302716/step Wall: 770.101, 0.00302716/step, 3.98778 hours remaining, 205.976562 MB of memory in use. ENERGY: 257600 730.8484 2106.8158 1953.2617 112.3768 -206301.2931 17563.1953 0.0000 0.0000 34217.6534 -149617.1416 298.8313 -183834.7950 -149512.1259 297.9123 -261.5665 -221.8088 557390.6731 21.0367 21.2197 PRESSURE: 257800 18.033 30.6491 52.3223 30.6501 82.4873 -2.58865 52.3227 -2.58699 16.1983 GPRESSURE: 257800 11.17 39.8255 23.933 43.9142 149.183 48.2623 75.799 -6.70071 52.3948 PRESSAVG: 257800 17.6291 33.8288 -9.26246 33.8287 -19.3351 18.1122 -9.2624 18.1123 -48.3662 GPRESSAVG: 257800 17.5029 33.4755 -8.29344 34.6694 -19.5063 17.7952 -9.6649 18.7739 -47.3557 TIMING: 257800 CPU: 770.706, 0.00302474/step Wall: 770.706, 0.00302474/step, 3.98442 hours remaining, 205.976562 MB of memory in use. ENERGY: 257800 763.5585 2118.8477 1958.1462 113.3793 -206578.7703 17819.6384 0.0000 0.0000 34199.5686 -149605.6317 298.6733 -183805.2002 -149509.4403 298.0835 38.9062 70.9161 555961.5778 -16.6907 -16.4530 PRESSURE: 258000 -59.3597 -4.0266 106.164 -4.02424 24.74 -132.819 106.165 -132.82 -38.5166 GPRESSURE: 258000 37.2447 3.49775 52.6092 -92.6993 20.4999 -112.091 146.112 -185.606 -35.7201 PRESSAVG: 258000 61.0371 33.1346 23.7754 33.1346 47.8365 10.6398 23.7754 10.6399 -42.9298 GPRESSAVG: 258000 61.0603 32.1673 22.7573 31.842 48.9345 10.5132 26.368 9.66431 -44.0371 TIMING: 258000 CPU: 771.31, 0.00302063/step Wall: 771.31, 0.00302063/step, 3.97883 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: 258000 730.6298 2131.3525 1931.6475 110.0712 -206557.4186 17920.3604 0.0000 0.0000 34178.4089 -149554.9483 298.4885 -183733.3572 -149462.8745 298.1033 -24.3788 7.3415 556395.4321 21.9813 21.9859 PRESSURE: 258200 -85.8646 -4.73621 -50.2227 -4.73575 -217.593 50.1411 -50.2222 50.1415 -162.293 GPRESSURE: 258200 -10.2229 -26.9492 -27.3558 31.5351 -225.744 33.6873 -17.1042 40.4606 -143.247 PRESSAVG: 258200 8.68161 16.1117 -1.00856 16.1117 41.4157 -38.9423 -1.00842 -38.9422 -62.9366 GPRESSAVG: 258200 10.1846 17.5364 -1.94285 16.8603 40.0145 -38.5576 -1.67978 -37.4563 -63.2679 TIMING: 258200 CPU: 771.917, 0.00303531/step Wall: 771.917, 0.00303531/step, 3.99801 hours remaining, 205.976562 MB of memory in use. ENERGY: 258200 767.9305 2008.5283 1961.2153 108.0048 -206377.5791 17723.4707 0.0000 0.0000 34370.4800 -149437.9494 300.1660 -183808.4294 -149341.9800 298.4011 -155.2501 -126.4046 556685.4264 -4.2797 -4.3563 PRESSURE: 258400 -124.227 19.398 108.539 19.3955 -110.601 168.39 108.538 168.388 -254.314 GPRESSURE: 258400 -55.509 14.7076 122.551 14.4674 -128.005 284.293 29.7129 243.078 -215.01 PRESSAVG: 258400 35.0546 54.0629 -2.72667 54.0628 8.63562 36.6863 -2.72665 36.6863 -31.4655 GPRESSAVG: 258400 34.5733 53.6237 -0.171569 53.5204 8.34332 35.2762 -4.54229 36.7773 -30.9218 TIMING: 258400 CPU: 772.524, 0.00303309/step Wall: 772.524, 0.00303309/step, 3.99491 hours remaining, 205.976562 MB of memory in use. ENERGY: 258400 730.8829 2061.7062 1955.7634 112.4924 -205826.7181 17447.8976 0.0000 0.0000 34052.0594 -149465.9162 297.3851 -183517.9756 -149377.5405 298.8863 -163.0475 -132.8412 557978.1595 4.0749 3.9983 PRESSURE: 258600 -184.654 15.3972 -163.98 15.3977 -465.377 -109.979 -163.98 -109.98 -220.386 GPRESSURE: 258600 -155.819 -10.623 -178.048 51.0156 -428.606 -102.165 -146.988 -26.5926 -190.345 PRESSAVG: 258600 14.9551 15.7216 -43.231 15.7216 -28.8534 16.2303 -43.231 16.2303 -1.31616 GPRESSAVG: 258600 15.0443 13.9798 -43.1798 18.1985 -29.1462 16.2648 -42.7716 14.943 -1.10569 TIMING: 258600 CPU: 773.126, 0.00300702/step Wall: 773.126, 0.00300702/step, 3.96041 hours remaining, 205.976562 MB of memory in use. ENERGY: 258600 771.0578 2027.4640 1945.3635 101.3239 -205921.5571 17489.4007 0.0000 0.0000 34258.9891 -149327.9581 299.1923 -183586.9472 -149233.5206 299.0852 -290.1391 -258.2567 557447.7862 -5.0715 -5.0692 PRESSURE: 258800 73.0353 15.9064 -28.0687 15.9068 102.876 31.9464 -28.0689 31.9468 -7.50313 GPRESSURE: 258800 134.013 42.5288 84.3108 65.3664 113.468 -24.3545 -109.608 66.6198 26.0949 PRESSAVG: 258800 -1.83142 -9.11925 -29.4563 -9.11928 -3.95605 7.56169 -29.4563 7.56166 4.54098 GPRESSAVG: 258800 -1.88968 -8.59352 -33.9747 -10.7815 -2.57614 7.84419 -27.1382 7.91662 3.06457 TIMING: 258800 CPU: 773.725, 0.00299884/step Wall: 773.725, 0.00299884/step, 3.94947 hours remaining, 205.976562 MB of memory in use. ENERGY: 258800 744.0058 2093.4236 1962.0142 120.9598 -206492.9791 18008.8259 0.0000 0.0000 34075.7493 -149488.0005 297.5920 -183563.7499 -149399.6763 298.0140 56.1360 91.1921 556928.5464 -0.4155 -0.4671 PRESSURE: 259000 169.99 26.7267 -43.4538 26.7253 -86.273 -16.6713 -43.4547 -16.6707 38.1426 GPRESSURE: 259000 134.067 43.6446 -128.824 -29.0331 -15.8281 -76.0601 -27.7235 -38.9185 90.3504 PRESSAVG: 259000 -28.5656 -19.6938 1.47625 -19.6939 51.3913 -32.2618 1.47625 -32.2617 -12.3465 GPRESSAVG: 259000 -29.7699 -18.4825 2.86559 -19.1617 50.0213 -32.0366 -0.312225 -33.5163 -10.4632 TIMING: 259000 CPU: 774.327, 0.00300813/step Wall: 774.327, 0.00300813/step, 3.96155 hours remaining, 205.976562 MB of memory in use. ENERGY: 259000 785.7895 2051.6562 1938.6017 116.9406 -206169.3515 17733.1721 0.0000 0.0000 34007.9693 -149535.2221 297.0001 -183543.1914 -149431.6172 298.1410 40.6198 69.5298 556040.5567 3.4931 3.2628 PRESSURE: 259200 18.4821 4.35801 -181.146 4.35894 87.2076 70.1668 -181.147 70.1666 -50.4763 GPRESSURE: 259200 69.1676 -29.8169 -225.065 8.3222 68.8885 38.0466 -173.251 64.4721 16.8455 PRESSAVG: 259200 -5.80066 43.8836 13.1136 43.8837 -50.9785 33.4279 13.1136 33.4278 76.4359 GPRESSAVG: 259200 -5.59192 41.175 15.6311 44.3839 -50.9966 33.643 12.8651 32.9511 76.1886 TIMING: 259200 CPU: 774.929, 0.00300811/step Wall: 774.929, 0.00300811/step, 3.96135 hours remaining, 205.976562 MB of memory in use. ENERGY: 259200 738.4821 2081.0380 1969.5689 103.3922 -206275.3612 17833.7159 0.0000 0.0000 34286.3591 -149262.8050 299.4313 -183549.1642 -149172.1049 298.4669 18.4044 51.6339 556279.0072 6.5522 6.5334 PRESSURE: 259400 -24.0819 -16.6252 20.4848 -16.6252 79.3002 -6.70076 20.4848 -6.70111 -211.651 GPRESSURE: 259400 35.2796 -88.2901 53.5655 66.495 125.13 -7.14473 1.20916 -43.1658 -201.022 PRESSAVG: 259400 69.6744 42.7935 26.9332 42.7934 -5.36985 25.0656 26.9332 25.0656 -63.3513 GPRESSAVG: 259400 69.2992 46.5355 26.1435 40.2531 -5.15356 23.8976 27.8781 25.0222 -63.4197 TIMING: 259400 CPU: 775.526, 0.00298954/step Wall: 775.526, 0.00298954/step, 3.93673 hours remaining, 205.976562 MB of memory in use. ENERGY: 259400 739.1176 2093.1905 1957.8024 116.4325 -206119.2799 17603.9547 0.0000 0.0000 34350.9973 -149257.7850 299.9958 -183608.7823 -149166.7327 299.2986 -52.1441 -13.5373 555304.8056 0.3177 0.2420 PRESSURE: 259600 63.3268 -114.635 -109.011 -114.636 -80.2836 -55.7151 -109.011 -55.7151 26.5859 GPRESSURE: 259600 122.539 -164.385 -111.873 -21.9468 -58.3587 -72.7457 -195.966 -0.189309 43.3496 PRESSAVG: 259600 16.3142 43.8273 9.24698 43.8272 -30.3378 43.9266 9.24692 43.9266 -5.1776 GPRESSAVG: 259600 17.1809 43.2747 8.96681 44.6446 -29.7096 44.6114 9.20766 44.5218 -6.60778 TIMING: 259600 CPU: 776.128, 0.00300871/step Wall: 776.128, 0.00300871/step, 3.9618 hours remaining, 205.976562 MB of memory in use. ENERGY: 259600 743.5812 2124.6212 1919.8672 115.8198 -206074.0396 17822.8508 0.0000 0.0000 34140.5773 -149206.7221 298.1582 -183347.2994 -149118.7681 299.0637 3.2097 35.8432 557011.8610 -6.4004 -6.3788 PRESSURE: 259800 -47.618 -75.9908 118.31 -75.9902 75.7337 78.0108 118.309 78.012 67.3904 GPRESSURE: 259800 -18.6733 -63.6374 123.54 9.43321 77.4604 -1.63522 50.7133 54.0448 126.229 PRESSAVG: 259800 3.23128 -28.1071 12.548 -28.1073 -10.6113 62.9832 12.548 62.9831 2.55842 GPRESSAVG: 259800 1.39271 -26.7156 12.3386 -28.4343 -10.4778 60.8334 12.4029 66.2052 4.24743 TIMING: 259800 CPU: 776.726, 0.00298953/step Wall: 776.726, 0.00298953/step, 3.93638 hours remaining, 205.976562 MB of memory in use. ENERGY: 259800 729.6168 2066.8851 1909.5162 113.4950 -206126.8679 17723.6900 0.0000 0.0000 34462.8935 -149120.7714 300.9730 -183583.6649 -149022.4188 299.7817 31.8354 61.6719 557503.3307 -1.6072 -1.6125 PRESSURE: 260000 33.6576 42.4415 168.461 42.4418 92.2292 -86.7483 168.463 -86.7469 -260.539 GPRESSURE: 260000 72.2156 50.9214 166.913 26.393 73.9712 -82.7394 107.879 -69.4057 -172.333 PRESSAVG: 260000 -22.0377 18.868 -20.2699 18.8679 0.879436 -47.7696 -20.2699 -47.7697 27.3169 GPRESSAVG: 260000 -20.9119 16.7289 -18.2126 18.2325 -0.602544 -45.8969 -21.7598 -50.1368 27.5749 TIMING: 260000 CPU: 777.323, 0.00298404/step Wall: 777.323, 0.00298404/step, 3.92899 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: 260000 761.7954 2039.1499 1934.2426 116.4161 -205974.7293 17830.2145 0.0000 0.0000 34397.9901 -148894.9208 300.4062 -183292.9109 -148797.7006 299.7209 -44.8839 -8.7153 558779.8585 2.0529 2.0202 PRESSURE: 260200 83.503 65.2192 96.4145 65.2199 202.771 -33.1245 96.4149 -33.1249 -146.469 GPRESSURE: 260200 98.956 54.8127 57.3454 91.0201 253.265 -16.5095 29.0095 -67.6721 -117.744 PRESSAVG: 260200 -12.8279 13.381 13.6218 13.3811 73.6565 -18.3268 13.6218 -18.3268 -95.6774 GPRESSAVG: 260200 -12.9572 12.3854 12.2895 12.5468 75.4752 -19.0049 14.9408 -17.9765 -97.0666 TIMING: 260200 CPU: 777.921, 0.00299285/step Wall: 777.921, 0.00299285/step, 3.94042 hours remaining, 205.976562 MB of memory in use. ENERGY: 260200 708.0085 2095.8494 1947.6674 111.2113 -206146.4603 17882.9145 0.0000 0.0000 34371.9453 -149028.8640 300.1787 -183400.8093 -148922.1588 300.5110 46.6019 78.1590 558408.4359 -11.6163 -11.5162 LDB: ============= START OF LOAD BALANCING ============== 781.44 LDB: ============== END OF LOAD BALANCING =============== 781.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 781.441 LDB: ============= START OF LOAD BALANCING ============== 781.744 LDB: Largest compute 4773 load 0.031772 is 26.9% of average load 0.117897 LDB: Average compute 0.001729 is 1.5% of average load 0.117897 LDB: TIME 781.746 LOAD: AVG 0.117897 MAX 0.21252 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.645 MB LDB: TIME 781.747 LOAD: AVG 0.117897 MAX 0.21252 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.852 MB LDB: TIME 781.747 LOAD: AVG 0.117897 MAX 0.21252 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.852 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 781.749 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 781.752 PRESSURE: 260400 103.517 -76.177 -149.112 -76.1769 95.427 38.0403 -149.112 38.0396 47.3678 GPRESSURE: 260400 167.396 -130.131 -75.1446 -79.3066 134.131 57.4542 -114.987 57.846 40.3591 PRESSAVG: 260400 15.9902 23.4797 0.0190785 23.4797 -17.1621 12.7875 0.0191766 12.7874 9.24688 GPRESSAVG: 260400 16.6833 24.365 -0.927449 25.0809 -17.6331 12.6599 -1.01639 14.2004 8.50565 TIMING: 260400 CPU: 778.536, 0.00307287/step Wall: 778.536, 0.00307287/step, 4.0456 hours remaining, 206.105469 MB of memory in use. ENERGY: 260400 767.6807 2101.6739 1929.4126 129.9958 -206238.9966 18015.9220 0.0000 0.0000 34348.2947 -148946.0169 299.9722 -183294.3116 -148856.7140 300.1462 82.1040 113.9622 559398.5380 2.6917 2.5186 PRESSURE: 260600 116.197 -70.0936 -30.8875 -70.0925 21.8396 128.786 -30.8869 128.789 72.0208 GPRESSURE: 260600 119.597 -55.0353 122.06 -40.6207 110.336 70.0831 -114.961 163.024 86.3928 PRESSAVG: 260600 24.1249 37.3268 26.8409 37.3266 11.1948 -15.4424 26.8408 -15.4426 -38.2148 GPRESSAVG: 260600 24.4519 38.428 26.4778 37.0939 10.5382 -15.8743 25.1883 -16.92 -37.5156 TIMING: 260600 CPU: 779.136, 0.00299813/step Wall: 779.136, 0.00299813/step, 3.94704 hours remaining, 206.105469 MB of memory in use. ENERGY: 260600 737.8107 2070.1190 1948.9354 111.7587 -206074.9337 17923.8231 0.0000 0.0000 34313.6875 -148968.7992 299.6700 -183282.4868 -148868.4458 299.3633 70.0191 105.4420 558807.9504 -0.9650 -0.8418 PRESSURE: 260800 196.554 42.3791 172.118 42.3788 21.9304 42.877 172.119 42.8756 78.2562 GPRESSURE: 260800 300.838 24.2383 106.86 96.5924 16.0539 37.894 157.872 80.6355 73.0155 PRESSAVG: 260800 51.5543 63.5624 28.8364 63.5624 13.293 38.4794 28.8363 38.4795 -55.3926 GPRESSAVG: 260800 51.7319 61.5893 27.9733 65.8788 13.9401 37.2833 31.7205 38.9717 -56.2232 TIMING: 260800 CPU: 779.731, 0.00297649/step Wall: 779.731, 0.00297649/step, 3.91839 hours remaining, 206.105469 MB of memory in use. ENERGY: 260800 776.0387 2091.6221 1975.2869 105.1190 -206270.6887 17936.1034 0.0000 0.0000 34462.1249 -148924.3938 300.9663 -183386.5187 -148823.6623 300.0839 98.9135 129.9692 558012.7505 3.1515 3.1496 PRESSURE: 261000 -97.0896 4.05426 -159.782 4.05416 141.987 129.199 -159.782 129.199 166.829 GPRESSURE: 261000 -43.0491 -95.2899 -169.395 50.1455 206.747 175.21 -128.933 177.069 147.742 PRESSAVG: 261000 -38.192 19.5645 -57.723 19.5643 1.32795 -30.0335 -57.723 -30.0335 20.9493 GPRESSAVG: 261000 -39.088 21.6035 -55.5097 17.8087 1.27442 -27.1652 -58.0716 -31.2351 22.1842 TIMING: 261000 CPU: 780.326, 0.00297751/step Wall: 780.326, 0.00297751/step, 3.91956 hours remaining, 206.105469 MB of memory in use. ENERGY: 261000 729.7070 2087.0673 1946.1916 116.5028 -206272.6566 17989.7783 0.0000 0.0000 34377.9590 -149025.4507 300.2313 -183403.4097 -148929.1226 299.6450 70.5755 103.8134 558507.7977 -5.3049 -5.2098 PRESSURE: 261200 -8.64763 107.253 0.634458 107.256 3.63784 76.9823 0.634021 76.9808 104.313 GPRESSURE: 261200 -16.4526 108.142 -41.9454 169.542 56.3032 29.7126 38.9802 20.5919 150.747 PRESSAVG: 261200 -39.9995 57.4843 -6.81649 57.4844 2.57269 -8.88281 -6.8164 -8.88291 24.251 GPRESSAVG: 261200 -39.5354 53.6381 -7.62766 59.9011 1.98355 -9.97539 -5.51721 -8.08384 24.4639 TIMING: 261200 CPU: 780.92, 0.00296649/step Wall: 780.92, 0.00296649/step, 3.90488 hours remaining, 206.105469 MB of memory in use. ENERGY: 261200 727.8713 2039.7939 1938.0641 106.9065 -206258.5491 18046.0248 0.0000 0.0000 34244.1001 -149155.7884 299.0622 -183399.8885 -149054.3716 299.5255 33.1012 63.5324 558354.8123 -4.3919 -4.3626 PRESSURE: 261400 132.784 30.4765 -44.0021 30.4768 -178.194 28.3427 -44.0018 28.3434 -221.236 GPRESSURE: 261400 180.923 42.0722 -93.9717 42.0746 -130.21 33.8528 -5.91706 99.3652 -213.18 PRESSAVG: 261400 -17.8099 66.1835 -35.7737 66.1835 -22.0098 8.8911 -35.7737 8.89106 55.5189 GPRESSAVG: 261400 -17.6818 69.7457 -36.6898 64.6546 -21.3662 6.83844 -35.3955 10.0839 54.6887 TIMING: 261400 CPU: 781.517, 0.00298406/step Wall: 781.517, 0.00298406/step, 3.92785 hours remaining, 206.105469 MB of memory in use. ENERGY: 261400 721.9196 2094.3153 1932.3699 110.5899 -206101.5661 17675.3734 0.0000 0.0000 34287.9378 -149279.0602 299.4451 -183566.9981 -149182.7149 299.5069 -88.8820 -54.1556 559046.6282 5.2331 5.2136 PRESSURE: 261600 -147.507 172.066 65.1078 172.066 -45.4883 -76.54 65.1071 -76.5398 -78.6444 GPRESSURE: 261600 -91.055 207.332 77.203 164.762 -20.1145 -43.7713 146.713 -92.325 -72.3564 PRESSAVG: 261600 -25.5049 71.9468 -55.0166 71.9468 24.7436 -22.1051 -55.0166 -22.105 18.2528 GPRESSAVG: 261600 -25.2154 72.5507 -53.9962 69.9333 23.7509 -21.0142 -56.4539 -23.017 18.4507 TIMING: 261600 CPU: 782.118, 0.00300839/step Wall: 782.118, 0.00300839/step, 3.95971 hours remaining, 206.105469 MB of memory in use. ENERGY: 261600 759.0132 2077.6320 1937.3918 99.9342 -206175.5696 17593.6635 0.0000 0.0000 34434.9325 -149273.0025 300.7288 -183707.9350 -149172.0280 298.7323 -90.5466 -61.1753 557351.1854 5.8305 5.6621 PRESSURE: 261800 174.471 -123.022 115.622 -123.021 -95.1902 20.1275 115.621 20.1294 -214.974 GPRESSURE: 261800 161.903 -96.9212 97.9102 -167.073 -53.2901 34.086 38.1838 30.7345 -144.804 PRESSAVG: 261800 -9.66922 -7.45277 -26.6677 -7.45282 27.925 -29.1025 -26.6676 -29.1025 -48.2159 GPRESSAVG: 261800 -10.6689 -7.2556 -26.2008 -8.15601 29.1993 -30.0913 -26.4025 -29.9989 -48.5961 TIMING: 261800 CPU: 782.721, 0.00301259/step Wall: 782.721, 0.00301259/step, 3.96507 hours remaining, 206.105469 MB of memory in use. ENERGY: 261800 720.0170 2077.1024 1939.5339 113.8278 -206415.1320 17938.2777 0.0000 0.0000 34204.7318 -149421.6413 298.7184 -183626.3731 -149324.6993 298.9366 -45.2309 -12.0639 556875.8195 -9.9867 -10.0219 PRESSURE: 262000 -132.05 80.5779 -1.16001 80.5781 -183.209 141.841 -1.16067 141.842 -150.625 GPRESSURE: 262000 -97.0297 43.2292 -28.2579 135.049 -155.563 119.635 56.3571 148.189 -120.832 PRESSAVG: 262000 9.21939 -8.35393 -3.0958 -8.35388 27.1071 2.70369 -3.09582 2.70377 -16.8303 GPRESSAVG: 262000 8.52817 -9.61197 -1.31235 -6.55933 26.6079 4.56011 -4.64262 3.19011 -15.8104 TIMING: 262000 CPU: 783.323, 0.00300991/step Wall: 783.323, 0.00300991/step, 3.96137 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: 262000 732.2761 2094.3246 1958.3830 119.7052 -206186.4393 17738.8320 0.0000 0.0000 34287.6623 -149255.2562 299.4427 -183542.9184 -149157.7284 299.6391 -155.2949 -124.4749 557383.5794 6.4987 6.4419 PRESSURE: 262200 -376.938 36.5895 -43.0521 36.588 -163.04 17.7506 -43.0515 17.7497 45.6583 GPRESSURE: 262200 -314.622 -2.3758 -63.5218 11.0399 -97.7229 28.9678 42.705 49.717 15.4312 PRESSAVG: 262200 25.7297 21.6472 33.1596 21.6472 13.9499 54.3586 33.1596 54.3585 -21.7025 GPRESSAVG: 262200 26.5232 22.5784 30.9567 21.8296 13.8805 50.9381 35.6202 55.6838 -22.4609 TIMING: 262200 CPU: 783.931, 0.0030392/step Wall: 783.931, 0.0030392/step, 3.99976 hours remaining, 206.105469 MB of memory in use. ENERGY: 262200 748.7611 2057.0868 1909.9204 113.5886 -205815.3069 17362.4622 0.0000 0.0000 34161.6180 -149461.8698 298.3419 -183623.4878 -149369.6134 298.7920 -164.7732 -132.3044 556667.8918 5.9924 5.9809 PRESSURE: 262400 -30.0954 199.396 -201.544 199.394 -164.408 85.627 -201.545 85.6275 -35.9314 GPRESSURE: 262400 -13.0792 147.61 -195.085 216.617 -158.381 10.3336 -100.061 118.666 26.0527 PRESSAVG: 262400 -34.2734 -57.0058 14.5524 -57.0059 -2.5392 9.05718 14.5525 9.05716 45.5289 GPRESSAVG: 262400 -34.9065 -58.8502 16.095 -56.4347 -3.34253 10.7717 14.0524 7.46762 46.3478 TIMING: 262400 CPU: 784.541, 0.00305029/step Wall: 784.541, 0.00305029/step, 4.01418 hours remaining, 206.105469 MB of memory in use. ENERGY: 262400 755.9862 2124.6673 1923.5247 106.9327 -205882.4528 17465.4959 0.0000 0.0000 34102.5231 -149403.3228 297.8258 -183505.8459 -149303.0997 298.1183 -76.8116 -48.4691 556006.5611 2.9054 2.6996 PRESSURE: 262600 59.5207 16.6351 -27.8698 16.6354 113.296 99.6053 -27.8708 99.6058 -1.69402 GPRESSURE: 262600 128.506 72.7567 14.7373 -72.9275 122.989 127.043 -175.206 125.309 10.2024 PRESSAVG: 262600 29.97 -43.7048 -3.56165 -43.7047 -3.14056 36.7184 -3.56161 36.7185 1.5209 GPRESSAVG: 262600 30.6215 -43.6519 -3.45684 -43.0875 -3.3868 36.7303 -3.23608 37.4204 1.28677 TIMING: 262600 CPU: 785.152, 0.00305827/step Wall: 785.152, 0.00305827/step, 4.02451 hours remaining, 206.105469 MB of memory in use. ENERGY: 262600 769.6158 2066.8103 1947.5054 99.5874 -205976.2943 17897.8571 0.0000 0.0000 33874.3182 -149320.6001 295.8328 -183194.9183 -149229.3915 298.4321 57.0408 87.2324 557200.4702 9.4501 9.5072 PRESSURE: 262800 -82.183 30.595 128.667 30.5947 74.8336 61.4987 128.666 61.4986 -113.66 GPRESSURE: 262800 -77.3029 -25.6878 95.2792 107.561 74.7759 92.6979 127.096 20.8368 -30.0455 PRESSAVG: 262800 -4.59639 21.5128 -24.0221 21.5127 15.936 -34.3468 -24.0221 -34.3467 -9.51157 GPRESSAVG: 262800 -5.25954 22.3053 -24.5133 22.1419 16.6368 -33.3383 -24.0346 -33.2168 -10.0621 TIMING: 262800 CPU: 785.763, 0.00305578/step Wall: 785.763, 0.00305578/step, 4.02107 hours remaining, 206.105469 MB of memory in use. ENERGY: 262800 748.4718 2078.9473 1940.1397 93.6118 -206214.5207 17834.8791 0.0000 0.0000 34207.9832 -149310.4878 298.7468 -183518.4710 -149208.7817 299.1272 -40.3364 -10.8575 556987.2587 0.6093 0.4384 PRESSURE: 263000 4.70533 27.7066 16.0709 27.708 75.2771 24.5804 16.0706 24.5772 142.507 GPRESSURE: 263000 30.2064 145.159 -45.5405 48.0911 107.329 -12.3158 105.435 -59.9553 176.683 PRESSAVG: 263000 32.0535 9.1212 30.3924 9.1211 -18.9051 -5.04348 30.3925 -5.04347 13.0789 GPRESSAVG: 263000 33.1736 12.7954 29.6617 6.33951 -19.4029 -4.97729 29.1135 -5.18996 12.8961 TIMING: 263000 CPU: 786.368, 0.00302335/step Wall: 786.368, 0.00302335/step, 3.97822 hours remaining, 206.105469 MB of memory in use. ENERGY: 263000 713.5322 2085.6761 1929.8981 106.9027 -206198.2534 17727.5819 0.0000 0.0000 34350.5851 -149284.0773 299.9922 -183634.6625 -149186.5904 299.2782 74.1630 104.7395 556112.6543 8.7424 8.8889 PRESSURE: 263200 8.49855 -64.8613 -26.041 -64.8609 121.179 -33.8695 -26.0415 -33.8701 -35.62 GPRESSURE: 263200 27.6695 -40.204 -24.9319 -153.949 136.449 -24.2413 -53.4078 -1.22524 22.979 PRESSAVG: 263200 -12.2677 -33.6628 29.3531 -33.6628 4.08308 19.739 29.3531 19.739 4.45226 GPRESSAVG: 263200 -14.1928 -35.3096 29.4874 -32.9462 4.15015 19.5901 30.0353 19.808 6.17893 TIMING: 263200 CPU: 786.968, 0.00299979/step Wall: 786.968, 0.00299979/step, 3.94705 hours remaining, 206.105469 MB of memory in use. ENERGY: 263200 747.0648 2040.3948 1925.6411 103.4495 -206221.1522 17908.9392 0.0000 0.0000 34208.7969 -149286.8659 298.7539 -183495.6628 -149193.3763 298.7610 31.3524 62.3658 557163.4392 -1.2441 -1.2879 PRESSURE: 263400 84.7398 154.798 155.729 154.798 29.0623 -2.92749 155.73 -2.92739 120.408 GPRESSURE: 263400 118.287 75.9532 224.928 243.667 51.5254 14.853 146.865 26.5648 164.09 PRESSAVG: 263400 24.5875 22.0452 0.354381 22.0452 8.58716 34.1766 0.354403 34.1766 11.5089 GPRESSAVG: 263400 25.2302 19.1834 0.0650603 23.2146 7.58398 34.9085 0.474522 32.4024 11.2397 TIMING: 263400 CPU: 787.567, 0.00299452/step Wall: 787.567, 0.00299452/step, 3.93996 hours remaining, 206.105469 MB of memory in use. ENERGY: 263400 733.5521 2065.5432 1963.8129 116.1577 -205908.6400 17799.4982 0.0000 0.0000 34029.6895 -149200.3863 297.1897 -183230.0758 -149116.0053 299.1178 78.0699 111.3007 555945.2110 14.8945 14.6846 PRESSURE: 263600 -51.9136 53.6859 -13.4915 53.6871 -134.244 59.0062 -13.492 59.0062 -99.5849 GPRESSURE: 263600 39.0558 110.463 -38.3571 15.8873 -132.794 36.6897 -107.159 7.37575 -92.1179 PRESSAVG: 263600 9.51851 -23.2111 91.78 -23.2111 -25.2327 22.8199 91.78 22.8199 -17.8969 GPRESSAVG: 263600 9.59769 -21.5717 93.9974 -24.7935 -23.7832 22.8554 90.8113 22.4124 -19.3345 TIMING: 263600 CPU: 788.176, 0.00304275/step Wall: 788.176, 0.00304275/step, 4.00325 hours remaining, 206.105469 MB of memory in use. ENERGY: 263600 741.6418 2100.8837 1939.7553 108.9014 -205925.4955 17709.3034 0.0000 0.0000 34140.8664 -149184.1435 298.1607 -183325.0099 -149090.7064 299.5878 -95.2474 -61.9519 556733.6166 -11.2037 -11.1733 PRESSURE: 263800 -42.7273 -26.5576 87.0348 -26.5565 -255.255 -141.307 87.0345 -141.309 -116.974 GPRESSURE: 263800 42.1862 24.575 114.979 69.4083 -226.822 -63.5025 -10.5488 -173.421 -115.421 PRESSAVG: 263800 68.3491 42.5057 -16.7294 42.5057 -17.956 14.0014 -16.7294 14.0015 -19.0991 GPRESSAVG: 263800 68.4874 41.4116 -16.5673 45.3945 -18.6377 14.9198 -15.5936 12.7597 -19.1275 TIMING: 263800 CPU: 788.783, 0.00303864/step Wall: 788.783, 0.00303864/step, 3.99767 hours remaining, 206.105469 MB of memory in use. ENERGY: 263800 777.0916 2080.8303 1948.9718 109.9030 -206091.0787 17637.1235 0.0000 0.0000 34403.3761 -149133.7825 300.4532 -183537.1586 -149034.1928 298.9894 -138.3190 -100.0190 558687.5649 10.4314 10.2407 PRESSURE: 264000 -235.843 -155.994 -106.726 -155.993 -12.2883 17.3097 -106.726 17.3109 -46.9119 GPRESSURE: 264000 -204.341 -185.151 -127.798 -142.331 -20.6267 -21.0087 -95.443 -2.75402 17.2369 PRESSAVG: 264000 -29.1515 9.21432 30.7236 9.21438 35.6236 53.5161 30.7236 53.5161 -8.88982 GPRESSAVG: 264000 -29.1013 10.4857 29.4222 7.01457 36.5387 50.244 30.5888 57.2516 -9.63329 TIMING: 264000 CPU: 789.382, 0.00299218/step Wall: 789.382, 0.00299218/step, 3.93637 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: 264000 733.1960 2090.3982 1954.7783 108.2964 -206075.1488 17672.5148 0.0000 0.0000 34416.1692 -149099.7959 300.5650 -183515.9650 -148999.5903 299.9593 -98.3478 -69.2435 557953.6612 -0.8059 -0.7320 PRESSURE: 264200 -250.057 94.4095 -1.31994 94.4088 -52.9499 -85.6986 -1.32102 -85.7003 108.607 GPRESSURE: 264200 -183.772 70.73 -11.0052 92.9264 -54.1211 -77.093 33.1242 -81.9415 139.106 PRESSAVG: 264200 -22.807 -23.7411 -49.9947 -23.7411 49.7555 24.9483 -49.9947 24.9483 -2.73016 GPRESSAVG: 264200 -22.5866 -23.9985 -49.8592 -23.7348 50.1903 25.7385 -49.2899 21.0273 -3.19281 TIMING: 264200 CPU: 789.981, 0.00299646/step Wall: 789.981, 0.00299646/step, 3.94184 hours remaining, 206.105469 MB of memory in use. ENERGY: 264200 779.0487 2061.5461 1920.4769 124.9481 -206314.4679 17847.0204 0.0000 0.0000 34460.0304 -149121.3973 300.9480 -183581.4278 -149031.4870 299.7242 -64.8000 -32.9290 557996.7879 8.0728 8.1370 LDB: ============= START OF LOAD BALANCING ============== 793.496 LDB: ============== END OF LOAD BALANCING =============== 793.496 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 793.497 LDB: ============= START OF LOAD BALANCING ============== 793.795 LDB: Largest compute 4773 load 0.031462 is 26.7% of average load 0.117758 LDB: Average compute 0.001725 is 1.5% of average load 0.117758 LDB: TIME 793.798 LOAD: AVG 0.117758 MAX 0.209915 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.32 MB LDB: TIME 793.798 LOAD: AVG 0.117758 MAX 0.209915 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.328 MB LDB: TIME 793.798 LOAD: AVG 0.117758 MAX 0.209915 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.328 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 793.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 793.804 PRESSURE: 264400 76.4682 -101.94 -114.393 -101.94 40.8363 -57.5374 -114.394 -57.5388 -85.1742 GPRESSURE: 264400 28.2907 -69.6036 -91.5684 -59.8644 146.902 61.6446 -63.186 -133.899 -46.1118 PRESSAVG: 264400 28.2656 -13.5764 -25.4467 -13.5763 18.518 17.5133 -25.4467 17.5133 -52.8847 GPRESSAVG: 264400 28.5788 -12.6085 -26.0517 -13.6389 18.2941 17.6545 -26.0192 20.4946 -52.9112 TIMING: 264400 CPU: 790.587, 0.00303164/step Wall: 790.587, 0.00303164/step, 3.98795 hours remaining, 205.515625 MB of memory in use. ENERGY: 264400 764.7339 2103.9071 1926.0043 125.4970 -206165.2165 17882.6638 0.0000 0.0000 34217.6573 -149144.7531 298.8313 -183362.4104 -149052.7232 299.2809 10.7101 43.0270 557710.0841 -2.0337 -2.0128 PRESSURE: 264600 -49.1274 -125.862 16.7152 -125.861 -159.981 -33.2636 16.7152 -33.2628 -192.948 GPRESSURE: 264600 0.288661 -107.406 -14.6913 -180.847 -115.049 64.46 148.878 -54.5729 -186.695 PRESSAVG: 264600 -10.9949 -71.6729 49.0259 -71.6729 23.399 25.6809 49.026 25.6809 -15.6147 GPRESSAVG: 264600 -11.5992 -73.3212 51.5627 -71.0931 22.848 27.5434 49.0841 24.3721 -14.9697 TIMING: 264600 CPU: 791.183, 0.00297702/step Wall: 791.183, 0.00297702/step, 3.91595 hours remaining, 205.718750 MB of memory in use. ENERGY: 264600 735.1545 2080.8712 1950.7265 128.1332 -205774.7412 17644.8253 0.0000 0.0000 34249.0293 -148986.0012 299.1053 -183235.0305 -148890.8291 299.7017 -134.0187 -100.4852 558799.0085 -1.0702 -1.2403 PRESSURE: 264800 -348.896 108.129 -75.2885 108.129 25.4835 -6.76683 -75.2881 -6.76694 -270.458 GPRESSURE: 264800 -296.123 90.5323 -252.384 158.915 -7.94178 -50.5495 -77.8725 11.2279 -208.308 PRESSAVG: 264800 25.2978 -0.305163 -14.0796 -0.305096 -73.6874 22.1539 -14.0795 22.1538 14.7574 GPRESSAVG: 264800 24.5418 0.844977 -16.711 -0.0701019 -74.2285 20.886 -13.7253 22.1411 15.9405 TIMING: 264800 CPU: 791.783, 0.00300265/step Wall: 791.783, 0.00300265/step, 3.94949 hours remaining, 205.718750 MB of memory in use. ENERGY: 264800 728.5207 2038.9622 1942.5743 103.1556 -205727.6554 17591.0496 0.0000 0.0000 34295.9592 -149027.4337 299.5151 -183323.3929 -148928.4759 299.5011 -197.9568 -170.7909 558482.9329 -11.2107 -11.2487 PRESSURE: 265000 117.425 -207.593 -217.094 -207.593 -109.633 47.0337 -217.093 47.0345 -204.024 GPRESSURE: 265000 138.936 -183.615 -126.176 -191.537 -69.1967 48.2936 -255.334 22.1977 -166.289 PRESSAVG: 265000 -52.1264 29.197 -41.3338 29.197 14.9718 -8.28271 -41.3338 -8.28279 8.93037 GPRESSAVG: 265000 -51.3025 29.9844 -39.4694 27.4306 15.0939 -8.53189 -41.458 -8.26215 7.84957 TIMING: 265000 CPU: 792.383, 0.0029981/step Wall: 792.383, 0.00299811/step, 3.94334 hours remaining, 205.718750 MB of memory in use. ENERGY: 265000 710.0471 2069.8598 1934.0171 114.5219 -205532.4317 17384.1684 0.0000 0.0000 34158.8901 -149160.9274 298.3181 -183319.8175 -149059.6204 299.2057 -65.4108 -32.1834 556375.6285 -9.4081 -9.4530 PRESSURE: 265200 -154.103 -150.77 -59.1782 -150.77 -148.791 53.6342 -59.1788 53.636 -187.398 GPRESSURE: 265200 -145.26 -93.4934 -120.138 -155.065 -157.269 34.6536 -56.9038 19.2868 -84.2102 PRESSAVG: 265200 19.9193 -77.1764 -28.7045 -77.1764 -44.5701 -3.94802 -28.7045 -3.94803 -5.10861 GPRESSAVG: 265200 20.5439 -76.4066 -31.1036 -78.0884 -44.6926 -4.94852 -28.7245 -3.34975 -5.69056 TIMING: 265200 CPU: 792.988, 0.00302736/step Wall: 792.988, 0.00302736/step, 3.98166 hours remaining, 205.718750 MB of memory in use. ENERGY: 265200 758.8702 2044.3516 1960.5798 117.7394 -205711.5675 17663.0405 0.0000 0.0000 34154.6350 -149012.3508 298.2809 -183166.9859 -148916.8488 299.3127 -163.4309 -128.9130 560028.1749 -9.9198 -9.9464 PRESSURE: 265400 -43.3459 -31.3689 -129.367 -31.3679 -244.422 10.5274 -129.367 10.5277 -103.876 GPRESSURE: 265400 5.29855 36.898 -63.3686 -58.5171 -216.622 43.6975 -164.549 -8.72281 -83.8865 PRESSAVG: 265400 -14.5247 -4.16503 16.5731 -4.16507 60.1207 -48.3861 16.5731 -48.3861 -26.1586 GPRESSAVG: 265400 -15.439 -5.08535 18.0376 -0.54835 60.4122 -46.8801 16.6868 -49.6561 -25.6943 TIMING: 265400 CPU: 793.596, 0.00303859/step Wall: 793.596, 0.00303859/step, 3.99626 hours remaining, 205.718750 MB of memory in use. ENERGY: 265400 748.8202 2075.8987 1942.5670 98.6542 -205798.2475 17608.8846 0.0000 0.0000 34230.3706 -149093.0522 298.9423 -183323.4228 -148994.7958 300.0968 -130.5477 -98.4034 557647.7683 6.4791 6.4263 PRESSURE: 265600 -17.5125 -36.7934 8.61173 -36.7947 137.905 146.624 8.61109 146.625 -233.307 GPRESSURE: 265600 -22.017 14.3756 -22.2616 -47.19 187.232 143.627 30.3807 115.482 -181.356 PRESSAVG: 265600 -27.0682 24.2249 49.4024 24.2249 10.5116 -24.779 49.4024 -24.7789 15.8792 GPRESSAVG: 265600 -26.8694 20.7935 48.5114 24.5117 10.5932 -24.284 50.3961 -23.2792 15.5608 TIMING: 265600 CPU: 794.193, 0.00298696/step Wall: 794.193, 0.00298696/step, 3.92818 hours remaining, 205.718750 MB of memory in use. ENERGY: 265600 735.4060 2118.1463 1960.6553 119.6341 -205831.7426 17663.3733 0.0000 0.0000 34244.9715 -148989.5561 299.0699 -183234.5276 -148898.7799 299.6432 -37.6383 -5.3805 558062.1748 -0.2258 -0.2385 PRESSURE: 265800 71.9225 -70.3533 6.55192 -70.3546 98.8943 -18.3816 6.55253 -18.3821 67.9101 GPRESSURE: 265800 82.407 8.69215 37.3481 -90.6643 130.057 14.6225 23.9408 -2.41609 115.952 PRESSAVG: 265800 21.3663 -9.30384 -22.7292 -9.30396 -24.6185 64.606 -22.7292 64.6061 4.67231 GPRESSAVG: 265800 22.4989 -6.6354 -22.5373 -10.2966 -26.0092 65.3776 -23.2219 64.0546 5.26474 TIMING: 265800 CPU: 794.796, 0.00301144/step Wall: 794.796, 0.00301144/step, 3.96021 hours remaining, 205.718750 MB of memory in use. ENERGY: 265800 722.7432 2086.7357 1945.6078 123.2183 -205766.1635 17702.1074 0.0000 0.0000 34499.7195 -148686.0317 301.2946 -183185.7511 -148590.4774 300.2981 79.5756 109.4723 557841.2748 0.4734 0.5848 PRESSURE: 266000 152.29 217.431 -37.7565 217.431 -174.33 41.7622 -37.7559 41.7635 -114.197 GPRESSURE: 266000 148.125 268.054 -68.7476 148.552 -160.198 69.7262 -50.629 9.64469 -29.419 PRESSAVG: 266000 57.8611 16.5755 -27.1847 16.5756 -60.5708 -37.2831 -27.1848 -37.2829 -32.2888 GPRESSAVG: 266000 56.0209 17.8193 -25.6147 15.5625 -58.5691 -36.7933 -27.8215 -38.3416 -32.1412 TIMING: 266000 CPU: 795.393, 0.00298695/step Wall: 795.393, 0.00298695/step, 3.92783 hours remaining, 205.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 266000 752.6069 2059.7843 1970.8505 108.8136 -205874.1366 17783.6301 0.0000 0.0000 34416.3430 -148782.1083 300.5665 -183198.4513 -148683.6519 300.2873 -45.4121 -13.8306 559338.5999 -11.6662 -11.5631 PRESSURE: 266200 204.381 18.4968 -2.14928 18.4971 75.2464 -294.319 -2.14914 -294.321 -25.4273 GPRESSURE: 266200 249.006 163.874 5.86387 -46.1118 111.317 -303.425 -18.7567 -264.459 -15.4327 PRESSAVG: 266200 18.1491 -5.01287 19.2761 -5.0128 -27.5505 -27.1445 19.276 -27.1446 -21.1662 GPRESSAVG: 266200 19.261 -4.81457 18.2129 -4.03541 -27.128 -29.3682 20.1982 -26.2909 -22.372 TIMING: 266200 CPU: 795.992, 0.0029925/step Wall: 795.992, 0.0029925/step, 3.93497 hours remaining, 205.718750 MB of memory in use. ENERGY: 266200 777.3999 2063.9059 1949.2533 106.7167 -206411.5593 18310.0760 0.0000 0.0000 34370.5902 -148833.6173 300.1669 -183204.2075 -148735.9645 300.0427 84.7334 114.9636 558474.7201 -10.1892 -10.0797 PRESSURE: 266400 25.9292 -28.8505 28.9673 -28.8498 60.9972 31.3687 28.9671 31.3678 147.809 GPRESSURE: 266400 56.3497 -75.4204 131.289 -19.9923 48.781 26.6276 -45.2008 93.8061 226.87 PRESSAVG: 266400 -8.99728 2.92743 -33.6459 2.92749 -33.5021 -36.3221 -33.6459 -36.3221 21.023 GPRESSAVG: 266400 -8.47255 1.75334 -31.1668 2.49708 -35.1189 -37.3718 -33.7173 -34.857 21.975 TIMING: 266400 CPU: 796.594, 0.00301229/step Wall: 796.594, 0.00301229/step, 3.96083 hours remaining, 205.718750 MB of memory in use. ENERGY: 266400 744.7494 1995.5737 1971.4952 114.5495 -206097.2703 17943.5892 0.0000 0.0000 34622.4948 -148704.8185 302.3669 -183327.3133 -148611.4350 300.8140 78.2451 110.6669 558285.8684 -7.1588 -7.2055 PRESSURE: 266600 -53.7824 -28.5203 -5.01492 -28.5197 -293.433 29.9813 -5.01589 29.9803 -167.685 GPRESSURE: 266600 -25.4545 -31.3845 40.9761 -76.8685 -312.647 91.7795 74.8626 -19.7585 -86.5561 PRESSAVG: 266600 41.3462 12.1389 6.34269 12.1388 20.5394 38.9468 6.34272 38.9466 -13.5695 GPRESSAVG: 266600 41.328 11.2092 3.31071 13.1681 20.9044 41.7412 7.42925 36.9027 -14.0617 TIMING: 266600 CPU: 797.2, 0.00302755/step Wall: 797.2, 0.00302755/step, 3.98072 hours remaining, 205.718750 MB of memory in use. ENERGY: 266600 742.4702 2132.6495 1966.5753 96.5959 -205658.1037 17685.8538 0.0000 0.0000 34338.5863 -148695.3728 299.8874 -183033.9591 -148595.3307 300.6608 -171.6337 -141.5526 560935.4943 16.1053 16.0569 PRESSURE: 266800 124.109 11.4173 16.6708 11.4165 -150.735 -40.4524 16.6723 -40.4523 -294.74 GPRESSURE: 266800 117.828 -34.5002 23.5947 -12.3202 -72.0084 -18.2527 149.598 -46.7504 -270.95 PRESSAVG: 266800 19.9934 -84.5053 11.8912 -84.5052 -33.0077 30.7595 11.8912 30.7595 -1.1868 GPRESSAVG: 266800 20.6205 -81.7527 11.7027 -85.966 -32.6501 29.9052 11.6872 29.8201 -1.58715 TIMING: 266800 CPU: 797.801, 0.00300821/step Wall: 797.801, 0.00300821/step, 3.95513 hours remaining, 205.718750 MB of memory in use. ENERGY: 266800 768.4973 2043.2951 1951.6977 107.5343 -205915.1283 17895.2453 0.0000 0.0000 34215.6784 -148933.1803 298.8140 -183148.8586 -148837.6100 300.1643 -107.1220 -75.0435 559449.7747 -4.7337 -4.5389 PRESSURE: 267000 -286.363 -50.1989 -63.0846 -50.198 -194.603 123.553 -63.0852 123.552 -101.107 GPRESSURE: 267000 -235.141 -77.1609 -28.0848 -99.6367 -190.857 133.031 -8.52276 36.2086 -67.2201 PRESSAVG: 267000 -17.677 -71.7938 16.8657 -71.7938 13.1371 40.7475 16.8658 40.7475 7.62145 GPRESSAVG: 267000 -18.8966 -73.8081 16.6856 -71.1177 12.7575 40.4989 17.2415 41.7232 8.6173 TIMING: 267000 CPU: 798.4, 0.00299446/step Wall: 798.4, 0.00299446/step, 3.93689 hours remaining, 205.718750 MB of memory in use. ENERGY: 267000 763.3320 2035.8614 1944.0289 106.6359 -205805.1102 17622.2783 0.0000 0.0000 34333.4883 -148999.4854 299.8429 -183332.9737 -148901.1379 299.8921 -194.0246 -164.4058 559267.4598 1.0272 0.8261 PRESSURE: 267200 -82.8494 152.285 49.6888 152.286 -184.264 -44.3707 49.6886 -44.3701 -228.149 GPRESSURE: 267200 -13.3512 60.5031 107.601 176.095 -160.383 -44.9265 10.5631 -95.1786 -233.974 PRESSAVG: 267200 -7.15021 -99.6638 38.1411 -99.6636 -42.975 35.0006 38.141 35.0006 52.0937 GPRESSAVG: 267200 -6.38977 -97.1827 39.8145 -101.373 -43.2988 32.9621 36.9937 35.3649 51.8969 TIMING: 267200 CPU: 799, 0.00300098/step Wall: 799, 0.00300098/step, 3.94529 hours remaining, 205.718750 MB of memory in use. ENERGY: 267200 732.8037 2106.2713 1957.0916 100.1543 -205758.1375 17477.9617 0.0000 0.0000 34342.4314 -149041.4235 299.9210 -183383.8550 -148949.5077 299.6113 -165.0875 -135.9028 557568.7568 0.6562 0.7361 PRESSURE: 267400 120.063 119.122 -26.2973 119.122 -26.6538 28.9996 -26.2971 28.9984 127.737 GPRESSURE: 267400 146.176 109.349 28.2201 113.99 31.2827 43.6709 -132.778 77.0544 140.011 PRESSAVG: 267400 -5.58927 28.2238 -13.8577 28.2238 -12.4648 -16.9121 -13.8578 -16.9121 -32.5851 GPRESSAVG: 267400 -5.51219 26.4837 -14.66 27.7716 -11.6367 -16.6304 -14.5214 -15.7428 -33.8669 TIMING: 267400 CPU: 799.601, 0.00300176/step Wall: 799.601, 0.00300176/step, 3.94614 hours remaining, 205.718750 MB of memory in use. ENERGY: 267400 729.7716 2060.9581 1946.4521 99.0682 -206264.1538 17790.0811 0.0000 0.0000 34473.3301 -149164.4928 301.0642 -183637.8228 -149068.8393 300.3973 73.7155 105.8232 556613.3797 -16.8797 -17.0053 PRESSURE: 267600 168.176 -192.125 27.4499 -192.126 20.1098 -36.2295 27.4486 -36.2277 53.8984 GPRESSURE: 267600 205.751 -222.006 132.057 -256.335 68.073 18.4461 81.9209 -66.0296 61.8338 PRESSAVG: 267600 75.4447 16.4848 -3.19746 16.4848 -71.6819 -10.7714 -3.1975 -10.7714 8.80155 GPRESSAVG: 267600 74.9274 17.4456 -3.28292 17.7726 -72.5324 -9.24493 -1.54002 -11.9844 9.92291 TIMING: 267600 CPU: 800.198, 0.0029867/step Wall: 800.198, 0.0029867/step, 3.92618 hours remaining, 205.718750 MB of memory in use. ENERGY: 267600 742.9929 2068.0469 1976.7460 119.9834 -206174.5147 17931.0489 0.0000 0.0000 34433.6114 -148902.0852 300.7173 -183335.6965 -148808.1076 299.9185 80.7282 111.8861 557434.3852 4.1881 4.1060 PRESSURE: 267800 -98.4758 -98.7851 21.8091 -98.7861 -215.346 18.3024 21.8091 18.3016 28.8149 GPRESSURE: 267800 -68.5417 -73.5107 19.6818 -14.2289 -204.383 27.9472 11.9298 -83.3973 87.9138 PRESSAVG: 267800 12.6365 0.52493 -23.9947 0.524942 0.161644 9.13618 -23.9947 9.13621 56.4368 GPRESSAVG: 267800 12.7266 1.306 -23.7997 0.619618 1.31941 10.3127 -23.366 8.18313 55.4825 TIMING: 267800 CPU: 800.798, 0.0030006/step Wall: 800.798, 0.0030006/step, 3.94429 hours remaining, 205.718750 MB of memory in use. ENERGY: 267800 764.7372 2049.4797 1979.0161 112.3634 -205841.6758 17630.7212 0.0000 0.0000 34296.4620 -149008.8963 299.5195 -183305.3583 -148910.7323 300.1582 -95.0022 -61.6704 557938.2703 23.0783 23.1762 PRESSURE: 268000 -419.465 -15.1665 -50.4852 -15.1661 -164.289 -229.717 -50.485 -229.718 59.0951 GPRESSURE: 268000 -387.554 -118.562 -63.6566 40.2765 -176.231 -213.214 3.98886 -206.566 137.504 PRESSAVG: 268000 -70.0238 -21.8217 -87.0913 -21.8218 -12.0648 58.4595 -87.0913 58.4595 70.3431 GPRESSAVG: 268000 -69.5392 -24.6032 -86.8199 -21.3959 -11.6693 56.7268 -88.6623 59.7367 69.6346 TIMING: 268000 CPU: 801.393, 0.00297348/step Wall: 801.393, 0.00297348/step, 3.90847 hours remaining, 205.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 268000 758.3417 2078.9792 1938.2436 109.3392 -206212.7921 17659.1742 0.0000 0.0000 34566.7722 -149101.9420 301.8802 -183668.7141 -149002.0001 299.8831 -174.8864 -142.0937 557326.0690 -3.9151 -3.8579 PRESSURE: 268200 -277.205 -78.9259 58.2976 -78.9264 -15.3798 -115.974 58.2974 -115.975 202.85 GPRESSURE: 268200 -217.154 -77.9433 97.5658 39.9552 8.11131 -8.41248 117.158 -97.0551 218.741 PRESSAVG: 268200 15.2147 -36.8932 -15.3497 -36.8933 14.1879 6.98865 -15.3497 6.98867 -55.1943 GPRESSAVG: 268200 15.0522 -34.6681 -13.3819 -35.2997 13.832 6.06326 -14.4282 6.39435 -54.7867 TIMING: 268200 CPU: 801.995, 0.00301176/step Wall: 801.995, 0.00301176/step, 3.95862 hours remaining, 205.718750 MB of memory in use. ENERGY: 268200 741.3943 2055.9724 1924.4785 111.2427 -205951.3561 17738.6519 0.0000 0.0000 34267.0905 -149112.5259 299.2630 -183379.6164 -149012.2023 299.6969 -29.9119 3.2328 558308.2018 -8.5972 -8.6341 LDB: ============= START OF LOAD BALANCING ============== 805.511 LDB: ============== END OF LOAD BALANCING =============== 805.511 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 805.513 LDB: ============= START OF LOAD BALANCING ============== 805.813 LDB: Largest compute 4773 load 0.031750 is 26.9% of average load 0.117815 LDB: Average compute 0.001724 is 1.5% of average load 0.117815 LDB: TIME 805.816 LOAD: AVG 0.117815 MAX 0.2118 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.723 MB LDB: TIME 805.816 LOAD: AVG 0.117815 MAX 0.2118 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.723 MB LDB: TIME 805.816 LOAD: AVG 0.117815 MAX 0.2118 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.723 MB LDB: ============== END OF LOAD BALANCING =============== 805.818 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 805.822 PRESSURE: 268400 -77.146 -2.94977 82.6412 -2.9505 -24.1854 51.6251 82.641 51.624 -339.72 GPRESSURE: 268400 2.28246 -19.48 -48.4572 22.3122 -30.3801 70.8143 200.815 68.9096 -318.606 PRESSAVG: 268400 9.12564 -3.43933 -12.8597 -3.43927 26.8222 23.5865 -12.8597 23.5866 -14.8994 GPRESSAVG: 268400 9.04054 -4.49884 -15.8709 -5.44976 26.2092 24.5546 -13.0167 22.6525 -14.1058 TIMING: 268400 CPU: 802.606, 0.00305201/step Wall: 802.606, 0.00305201/step, 4.01135 hours remaining, 205.835938 MB of memory in use. ENERGY: 268400 777.8644 2094.4860 1942.9134 115.3348 -206101.7124 17721.8548 0.0000 0.0000 34217.8179 -149231.4410 298.8327 -183449.2589 -149135.7467 299.2036 -147.0171 -115.5680 558014.8722 7.0161 7.0480 PRESSURE: 268600 -161.678 -15.122 16.4785 -15.1221 -125.096 -14.3219 16.4781 -14.3214 -224.239 GPRESSURE: 268600 -73.635 -49.4822 17.0357 -47.9757 -129.642 -42.6312 52.3294 -55.9608 -208.864 PRESSAVG: 268600 44.8793 -7.30835 4.34727 -7.30832 -40.887 -22.2436 4.34724 -22.2437 -46.1335 GPRESSAVG: 268600 44.0817 -4.97402 5.71388 -6.56885 -39.2055 -20.6468 3.59167 -22.3609 -47.4331 TIMING: 268600 CPU: 803.205, 0.00299735/step Wall: 803.205, 0.00299735/step, 3.93935 hours remaining, 205.847656 MB of memory in use. ENERGY: 268600 735.2357 2070.6277 1936.8665 114.0421 -206289.7621 17686.9712 0.0000 0.0000 34367.6497 -149378.3693 300.1412 -183746.0190 -149277.0887 299.1883 -170.3377 -137.3803 556746.0595 -14.0471 -14.1856 PRESSURE: 268800 -141.513 -67.1319 -140.02 -67.1315 -101.348 -52.5611 -140.02 -52.5614 16.3614 GPRESSURE: 268800 -86.5546 -87.4873 -79.0422 -126.944 -98.0712 35.6916 -155.056 -15.2198 61.4759 PRESSAVG: 268800 -12.2316 36.7077 21.3574 36.7077 23.2354 38.4395 21.3573 38.4394 -31.898 GPRESSAVG: 268800 -12.1947 34.8514 21.5762 36.3879 22.073 37.5562 21.7001 38.8505 -31.155 TIMING: 268800 CPU: 803.806, 0.00300517/step Wall: 803.806, 0.00300517/step, 3.94946 hours remaining, 206.105469 MB of memory in use. ENERGY: 268800 769.8662 2075.7186 1929.0110 116.2301 -205965.9987 17565.6203 0.0000 0.0000 34214.6977 -149294.8548 298.8055 -183509.5525 -149196.1889 298.9779 -75.4998 -41.0500 556368.6231 -6.9648 -7.0922 PRESSURE: 269000 -178.675 102.835 43.9268 102.836 190.307 204.141 43.9241 204.141 58.3131 GPRESSURE: 269000 -152.374 118.683 17.9402 95.9212 214.727 196.111 8.62052 227.685 113.36 PRESSAVG: 269000 -18.8832 12.9388 15.2142 12.9387 -18.4693 -10.5286 15.2142 -10.5286 43.3137 GPRESSAVG: 269000 -18.8154 14.3518 14.8451 13.4559 -18.4914 -10.2795 15.1784 -10.2108 42.6053 TIMING: 269000 CPU: 804.404, 0.00298895/step Wall: 804.404, 0.00298895/step, 3.92798 hours remaining, 206.105469 MB of memory in use. ENERGY: 269000 773.2946 2106.3251 1912.3066 109.3636 -206081.5814 17924.4671 0.0000 0.0000 34146.5792 -149109.2453 298.2106 -183255.8245 -149012.6264 299.1537 23.3152 58.5711 558454.4216 1.9870 1.7662 PRESSURE: 269200 53.2116 13.9233 15.5158 13.9216 39.6763 76.8405 15.516 76.84 259.061 GPRESSURE: 269200 100.09 -71.2496 94.1846 -1.37314 63.0696 148.726 54.187 23.7893 268.357 PRESSAVG: 269200 -54.1705 14.6555 33.3908 14.6556 50.0317 43.7827 33.3909 43.7827 11.4778 GPRESSAVG: 269200 -53.1686 13.3532 32.707 14.1357 49.5297 45.4312 34.6527 44.0885 10.976 TIMING: 269200 CPU: 805.008, 0.00301902/step Wall: 805.008, 0.00301902/step, 3.96733 hours remaining, 206.105469 MB of memory in use. ENERGY: 269200 739.5048 2099.2842 1933.9104 101.6251 -206205.0540 17827.3898 0.0000 0.0000 34570.3242 -148933.0155 301.9112 -183503.3397 -148834.2678 299.7957 117.3164 143.8388 557779.1191 2.4463 2.4457 PRESSURE: 269400 -86.7311 63.8388 -105.506 63.8391 104.613 -125.868 -105.507 -125.869 10.5601 GPRESSURE: 269400 -77.0893 111.585 -115.605 54.7815 205.692 -70.4868 -117.081 -86.5302 3.38698 PRESSAVG: 269400 60.0257 44.2534 -27.0201 44.2534 -13.7462 15.4812 -27.0202 15.4812 -21.227 GPRESSAVG: 269400 59.8236 45.1042 -26.5518 43.8761 -14.2126 15.8203 -26.4275 14.6328 -20.6418 TIMING: 269400 CPU: 805.615, 0.00303725/step Wall: 805.615, 0.00303725/step, 3.99112 hours remaining, 206.105469 MB of memory in use. ENERGY: 269400 748.1963 2036.1866 1929.1990 114.1518 -206359.6716 18002.3621 0.0000 0.0000 34397.8937 -149131.6821 300.4054 -183529.5759 -149034.2982 299.7353 9.4806 43.9965 557946.5500 8.3508 8.3230 PRESSURE: 269600 242.16 -105.505 14.9663 -105.505 -275.046 -102.739 14.9668 -102.74 169.942 GPRESSURE: 269600 216.242 -162.163 31.0901 -14.3807 -160.117 -138.458 135.799 -51.5856 175.468 PRESSAVG: 269600 35.6215 18.5592 29.3863 18.5592 9.63255 22.0651 29.3862 22.0651 -16.0961 GPRESSAVG: 269600 35.4149 17.424 28.0994 18.584 11.1371 19.6492 28.3295 22.1664 -17.0548 TIMING: 269600 CPU: 806.224, 0.00304625/step Wall: 806.224, 0.00304625/step, 4.00277 hours remaining, 206.105469 MB of memory in use. ENERGY: 269600 744.9371 2083.2899 1931.8925 121.9392 -206163.5509 17867.3413 0.0000 0.0000 34306.1834 -149107.9675 299.6044 -183414.1509 -149014.3685 299.7883 45.6851 77.1979 557262.8616 9.7193 9.8324 PRESSURE: 269800 21.9466 4.86797 17.4186 4.86873 74.8202 -9.82702 17.4187 -9.82622 -46.9889 GPRESSURE: 269800 74.698 73.9258 32.9448 -20.0679 110.502 33.7095 -33.263 -1.10147 -19.2257 PRESSAVG: 269800 56.0454 -0.627028 -2.37657 -0.626995 -35.9526 -12.1382 -2.37646 -12.1383 -22.784 GPRESSAVG: 269800 55.7629 0.640087 -1.40325 0.694784 -35.9501 -12.6151 -3.92597 -10.9435 -22.0341 TIMING: 269800 CPU: 806.828, 0.00301953/step Wall: 806.828, 0.00301953/step, 3.96749 hours remaining, 206.105469 MB of memory in use. ENERGY: 269800 744.2978 2125.0401 1906.2890 103.3733 -206524.6562 18037.5629 0.0000 0.0000 34402.0698 -149206.0233 300.4418 -183608.0932 -149115.2320 299.6101 16.5927 55.3247 556811.6464 -0.8971 -0.7405 PRESSURE: 270000 297.827 38.5075 -105.351 38.5078 -44.61 95.5721 -105.352 95.5707 291.948 GPRESSURE: 270000 342.802 119.628 -33.4618 25.4789 -21.7043 32.0815 -100.471 148.027 316.595 PRESSAVG: 270000 -8.07821 57.788 11.1299 57.788 -10.9421 14.1684 11.1299 14.1685 17.1025 GPRESSAVG: 270000 -7.46521 57.3157 12.125 55.5974 -10.4864 12.7301 9.8512 15.3113 16.4145 TIMING: 270000 CPU: 807.428, 0.00299641/step Wall: 807.428, 0.00299641/step, 3.93695 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: 270000 757.7563 2117.2266 1934.9604 103.1467 -206091.4367 17953.3057 0.0000 0.0000 34026.9868 -149198.0542 297.1661 -183225.0410 -149107.2174 299.1719 181.7216 212.5642 556919.1750 -0.6393 -0.5124 PRESSURE: 270200 -327.482 -12.0451 180.001 -12.0443 -235.414 163.028 180.002 163.028 15.2387 GPRESSURE: 270200 -290.318 -62.9594 189.592 -24.7545 -215.578 167.49 93.2329 190.372 62.0253 PRESSAVG: 270200 31.5949 14.8767 -29.1022 14.8766 -23.1115 10.1806 -29.1021 10.1806 -2.81044 GPRESSAVG: 270200 30.9222 14.3478 -29.147 15.8043 -24.1984 13.2643 -28.7182 8.7817 -1.13622 TIMING: 270200 CPU: 808.028, 0.00300084/step Wall: 808.028, 0.00300084/step, 3.9426 hours remaining, 206.105469 MB of memory in use. ENERGY: 270200 759.9374 2030.3826 1922.1191 115.5720 -206136.8769 17687.6263 0.0000 0.0000 34267.3254 -149353.9142 299.2651 -183621.2396 -149254.6520 299.2355 -182.5524 -147.9571 558709.3619 1.8910 1.8625 PRESSURE: 270400 232.402 131.496 -4.77194 131.496 138.179 62.4497 -4.7721 62.4488 45.7221 GPRESSURE: 270400 308.034 200.007 -9.3112 28.9982 143.451 40.469 4.64823 164.718 73.8473 PRESSAVG: 270400 40.5676 -44.6094 4.98198 -44.6094 15.1088 53.7157 4.98195 53.7158 -8.9068 GPRESSAVG: 270400 40.5382 -44.6388 5.12236 -42.901 15.2509 54.3248 7.62998 53.3199 -8.70522 TIMING: 270400 CPU: 808.63, 0.00301136/step Wall: 808.63, 0.00301136/step, 3.95625 hours remaining, 206.105469 MB of memory in use. ENERGY: 270400 746.8903 2059.7402 1923.3462 111.0358 -206584.0232 18064.4901 0.0000 0.0000 34356.4050 -149322.1157 300.0430 -183678.5207 -149216.0345 298.6724 138.7677 175.1105 557286.3895 15.5899 15.6946 PRESSURE: 270600 111.147 -1.56509 -71.0076 -1.56486 -212.18 -33.3865 -71.0084 -33.3879 139.364 GPRESSURE: 270600 125.445 -26.5188 -12.788 43.3501 -157.08 -88.8964 -61.4478 6.30154 167.875 PRESSAVG: 270600 19.6013 7.26462 38.9742 7.26462 30.5279 56.1221 38.9742 56.122 -22.6743 GPRESSAVG: 270600 19.8139 7.73741 38.9057 4.77632 31.1569 53.9216 37.9741 56.7095 -23.389 TIMING: 270600 CPU: 809.231, 0.00300662/step Wall: 809.231, 0.00300662/step, 3.94986 hours remaining, 206.105469 MB of memory in use. ENERGY: 270600 754.7065 2105.6426 1926.6177 117.1441 -206110.7209 17716.7130 0.0000 0.0000 34307.1200 -149182.7771 299.6126 -183489.8971 -149087.4561 299.6200 12.7771 45.4136 557461.2687 9.1516 9.1939 PRESSURE: 270800 -267.952 63.833 53.9804 63.8314 -172.507 7.87872 53.9812 7.87903 161.574 GPRESSURE: 270800 -204.267 8.12345 -11.2946 52.7559 -136.557 -10.9226 36.8976 60.0564 153.078 PRESSAVG: 270800 17.507 -6.95437 -7.53241 -6.95438 13.4342 35.6765 -7.53245 35.6765 -24.2963 GPRESSAVG: 270800 17.297 -6.99567 -6.57191 -5.45194 12.8756 36.5152 -8.14585 36.4164 -23.336 TIMING: 270800 CPU: 809.826, 0.00297367/step Wall: 809.826, 0.00297367/step, 3.90641 hours remaining, 206.105469 MB of memory in use. ENERGY: 270800 787.5313 2093.6312 1940.3932 111.3218 -206386.3613 17838.4701 0.0000 0.0000 34382.8767 -149232.1370 300.2742 -183615.0136 -149134.4401 299.6492 -92.9618 -62.5821 557243.6486 2.2150 2.2789 PRESSURE: 271000 -431.894 -108.08 -181.057 -108.081 -183.363 120.322 -181.058 120.32 -246.715 GPRESSURE: 271000 -390.574 -88.3424 -161.112 -76.7959 -146.882 115.856 -184.678 69.4852 -222.327 PRESSAVG: 271000 -74.0776 -15.9877 -6.48478 -15.9877 28.961 -5.40946 -6.48481 -5.4095 40.5718 GPRESSAVG: 271000 -74.4534 -16.4189 -9.24916 -16.581 28.7552 -4.69324 -3.76418 -5.33973 41.081 TIMING: 271000 CPU: 810.431, 0.00302666/step Wall: 810.431, 0.00302666/step, 3.97585 hours remaining, 206.105469 MB of memory in use. ENERGY: 271000 758.7711 2098.6110 1910.1020 105.7360 -205385.7406 17323.0834 0.0000 0.0000 34149.7002 -149039.7370 298.2378 -183189.4371 -148946.5792 299.6558 -287.3238 -253.2613 558170.1066 -1.5149 -1.5391 PRESSURE: 271200 -106.381 100.729 -50.7652 100.729 236.219 -158.832 -50.7645 -158.832 29.8841 GPRESSURE: 271200 -78.4089 89.9328 -34.8416 131.007 277.628 -108.278 -70.914 -134.878 54.6239 PRESSAVG: 271200 -18.4651 -4.84454 10.4241 -4.84456 20.3291 -13.3891 10.424 -13.3891 -30.436 GPRESSAVG: 271200 -18.2644 -6.23205 11.8138 -4.03462 20.6813 -14.1067 9.93715 -13.4439 -31.902 TIMING: 271200 CPU: 811.041, 0.00304872/step Wall: 811.041, 0.00304872/step, 4.00466 hours remaining, 206.105469 MB of memory in use. ENERGY: 271200 800.9409 2146.0441 1923.0045 110.3754 -206203.7843 17956.3826 0.0000 0.0000 34382.8143 -148884.2224 300.2737 -183267.0368 -148789.7266 300.2319 53.2406 84.6143 557480.6275 -9.5240 -9.8284 PRESSURE: 271400 -30.5645 -23.2135 -123.287 -23.2122 -188.341 -31.2581 -123.286 -31.2597 -296.531 GPRESSURE: 271400 26.3516 38.0555 -150.633 -93.4718 -149.355 9.52139 -111.395 31.466 -302.124 PRESSAVG: 271400 37.8988 17.7711 -14.9146 17.7713 -37.2358 15.6123 -14.9145 15.6123 -55.962 GPRESSAVG: 271400 38.3216 20.673 -16.3391 18.5645 -37.66 16.7468 -13.9122 13.2626 -55.274 TIMING: 271400 CPU: 811.64, 0.00299495/step Wall: 811.64, 0.00299495/step, 3.93386 hours remaining, 206.105469 MB of memory in use. ENERGY: 271400 754.5805 2161.0151 1951.3667 104.1163 -206086.7475 17626.4829 0.0000 0.0000 34485.2108 -149003.9752 301.1679 -183489.1860 -148900.7812 299.9374 -171.8123 -141.7090 558042.8105 -18.4330 -18.2042 PRESSURE: 271600 -33.1844 11.515 -218.603 11.514 262.459 108.172 -218.603 108.172 -53.2655 GPRESSURE: 271600 43.4909 -60.6612 -277.243 29.4485 281.712 50.1183 -201.521 171.87 -59.3254 PRESSAVG: 271600 -14.7841 -1.28638 -17.3464 -1.28642 37.2579 7.43987 -17.3463 7.4399 -17.7838 GPRESSAVG: 271600 -13.7557 -2.06828 -15.3305 -2.67802 37.9126 7.99462 -18.6386 8.63033 -19.2084 TIMING: 271600 CPU: 812.24, 0.00299883/step Wall: 812.24, 0.00299883/step, 3.9388 hours remaining, 206.105469 MB of memory in use. ENERGY: 271600 757.1783 2072.2449 1950.9778 104.7016 -205846.1011 17814.0665 0.0000 0.0000 34037.6307 -149109.3013 297.2591 -183146.9320 -149019.2251 299.6610 58.6697 88.6258 557252.5899 1.5633 1.6495 PRESSURE: 271800 -261.236 -49.1169 -126.57 -49.1177 -25.1631 49.9785 -126.57 49.9773 -21.0115 GPRESSURE: 271800 -201.467 43.0163 -62.7014 -59.2716 -0.0542442 151.775 -106.957 18.7222 -13.775 PRESSAVG: 271800 -28.6682 -3.58746 -66.5145 -3.5875 -62.6001 38.8452 -66.5144 38.8452 75.9141 GPRESSAVG: 271800 -29.4086 -3.39024 -67.7224 -5.89624 -62.6403 39.4649 -65.6215 36.9876 77.4661 TIMING: 271800 CPU: 812.844, 0.00301947/step Wall: 812.844, 0.00301947/step, 3.96574 hours remaining, 206.105469 MB of memory in use. ENERGY: 271800 752.1903 2152.0275 1919.3320 110.5929 -205809.9126 17649.2297 0.0000 0.0000 34043.9350 -149182.6051 297.3142 -183226.5401 -149093.6288 299.5440 -102.4702 -71.7655 557834.0044 -5.1181 -4.8610 PRESSURE: 272000 -7.37089 42.6265 -14.3657 42.6262 36.3045 -22.3834 -14.3657 -22.3837 155.583 GPRESSURE: 272000 37.5547 84.5433 -14.8933 68.0303 66.6044 -12.2551 -53.8296 -11.7311 180.001 PRESSAVG: 272000 -30.7048 19.9698 6.54649 19.9699 1.83447 41.2589 6.54645 41.2589 46.9064 GPRESSAVG: 272000 -30.2211 20.3394 8.62915 22.8748 1.57268 37.8837 3.12892 44.2161 47.204 TIMING: 272000 CPU: 813.449, 0.00302507/step Wall: 813.449, 0.00302507/step, 3.97293 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: 272000 685.5506 2045.8777 1961.3444 117.7952 -206247.8612 17986.2502 0.0000 0.0000 34433.1355 -149017.9075 300.7131 -183451.0431 -148921.6290 299.8944 61.5054 94.7202 557355.1179 6.0120 6.1852 PRESSURE: 272200 27.34 -139.039 71.1478 -139.037 -219.059 252.441 71.1475 252.441 -352.615 GPRESSURE: 272200 74.3422 -114.141 55.8271 -72.0086 -211.224 245.054 55.9759 185.171 -311.212 PRESSAVG: 272200 9.55042 1.615 -7.62704 1.61485 -19.5246 33.8408 -7.62708 33.8408 24.9796 GPRESSAVG: 272200 10.0297 2.10322 -9.06877 -1.47522 -20.1371 34.099 -5.01585 32.45 24.7428 TIMING: 272200 CPU: 814.056, 0.00303396/step Wall: 814.056, 0.00303396/step, 3.98443 hours remaining, 206.105469 MB of memory in use. ENERGY: 272200 729.9743 2049.9198 1956.8940 108.0332 -205902.1027 17550.1312 0.0000 0.0000 34523.8401 -148983.3101 301.5053 -183507.1501 -148885.0978 300.4676 -181.4447 -149.3644 557915.2592 5.0018 4.8785 LDB: ============= START OF LOAD BALANCING ============== 817.577 LDB: ============== END OF LOAD BALANCING =============== 817.577 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 817.578 LDB: ============= START OF LOAD BALANCING ============== 817.88 LDB: Largest compute 4773 load 0.032542 is 27.6% of average load 0.117862 LDB: Average compute 0.001732 is 1.5% of average load 0.117862 LDB: TIME 817.882 LOAD: AVG 0.117862 MAX 0.213306 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.207 MB LDB: TIME 817.883 LOAD: AVG 0.117862 MAX 0.213306 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.207 MB LDB: TIME 817.883 LOAD: AVG 0.117862 MAX 0.213306 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.207 MB LDB: ============== END OF LOAD BALANCING =============== 817.885 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 817.889 PRESSURE: 272400 -123.905 162.837 -48.2364 162.837 -141.678 -100.759 -48.2359 -100.759 44.2919 GPRESSURE: 272400 -97.6881 161.383 -40.6663 83.736 -103.286 -70.4063 -18.916 -5.6847 84.876 PRESSAVG: 272400 -29.0352 16.0507 21.2468 16.0507 41.4765 -1.8016 21.2469 -1.80152 37.5531 GPRESSAVG: 272400 -30.0397 16.0683 20.1643 17.0269 42.7199 -0.160301 21.3955 -2.62383 37.43 TIMING: 272400 CPU: 814.672, 0.00308265/step Wall: 814.672, 0.00308265/step, 4.04821 hours remaining, 206.230469 MB of memory in use. ENERGY: 272400 776.4309 2068.3842 1964.1993 114.4900 -206168.8982 17717.1071 0.0000 0.0000 34573.9952 -148954.2915 301.9433 -183528.2867 -148857.2315 300.1807 -73.7636 -38.6993 556437.1256 16.6648 16.7034 PRESSURE: 272600 -88.1569 173.249 57.4381 173.248 9.14526 88.2507 57.4379 88.2518 137.846 GPRESSURE: 272600 -24.7483 150.233 57.1598 229.626 49.0831 73.2313 5.0401 -61.5373 131.288 PRESSAVG: 272600 21.1609 4.763 -28.9808 4.76306 -27.2555 65.1253 -28.9807 65.1252 -1.53063 GPRESSAVG: 272600 21.5898 4.59214 -25.2187 4.48304 -27.8462 65.2543 -29.7322 66.3984 -1.24398 TIMING: 272600 CPU: 815.271, 0.00299234/step Wall: 815.271, 0.00299234/step, 3.92944 hours remaining, 206.433594 MB of memory in use. ENERGY: 272600 708.8831 2133.3464 1935.5106 103.1380 -205813.0154 17589.4525 0.0000 0.0000 34406.9150 -148935.7696 300.4841 -183342.6846 -148842.2983 300.5119 19.6113 51.8742 557299.5998 -2.5418 -2.5001 PRESSURE: 272800 -306.618 152.35 120.416 152.349 -232.732 -79.7915 120.416 -79.7928 -88.0189 GPRESSURE: 272800 -242.443 153.881 94.7769 130.586 -218.011 -95.642 82.1016 -125.306 -62.2172 PRESSAVG: 272800 -19.8499 11.5792 33.6831 11.5792 -3.13556 -4.77769 33.683 -4.77775 53.5191 GPRESSAVG: 272800 -19.142 12.4441 32.5668 13.2305 -4.42664 -7.09099 33.0402 -5.40227 54.3242 TIMING: 272800 CPU: 815.873, 0.00301247/step Wall: 815.873, 0.00301247/step, 3.9557 hours remaining, 206.433594 MB of memory in use. ENERGY: 272800 785.7176 2132.6438 1947.6088 112.7676 -205596.1606 17386.7982 0.0000 0.0000 34280.8569 -148949.7677 299.3832 -183230.6246 -148853.4068 300.3046 -209.1228 -174.2238 557304.7893 10.1779 10.2519 PRESSURE: 273000 -344.366 -30.8423 66.8287 -30.844 -240.967 142.734 66.8281 142.734 -313.306 GPRESSURE: 273000 -296.814 -98.8015 -39.9757 -111.321 -255.185 128.352 60.6645 134.652 -266.832 PRESSAVG: 273000 -18.649 14.7101 65.621 14.7101 -43.2612 18.7924 65.621 18.7924 3.99515 GPRESSAVG: 273000 -19.2763 13.616 63.7253 12.9089 -42.0791 18.4017 67.3338 18.3754 3.24119 TIMING: 273000 CPU: 816.473, 0.00300064/step Wall: 816.473, 0.00300064/step, 3.94001 hours remaining, 206.433594 MB of memory in use. ENERGY: 273000 738.3620 2083.1283 1947.1291 115.4799 -205611.7783 17371.4220 0.0000 0.0000 34357.4905 -148998.7665 300.0525 -183356.2570 -148895.5349 300.2040 -299.5466 -272.9437 558601.5004 -19.3050 -19.3714 PRESSURE: 273200 -69.8625 8.14339 -11.9566 8.14404 -127.24 86.208 -11.9558 86.2073 177.584 GPRESSURE: 273200 1.55419 -34.8173 -4.0478 81.3055 -82.4874 -8.98913 -28.0359 203.583 178.435 PRESSAVG: 273200 59.9929 23.6289 -5.69881 23.629 -34.0097 57.253 -5.69887 57.253 19.0711 GPRESSAVG: 273200 59.8411 22.9502 -5.46483 25.7419 -33.4636 59.0345 -7.14991 57.204 18.2796 TIMING: 273200 CPU: 817.072, 0.00299541/step Wall: 817.072, 0.00299541/step, 3.93298 hours remaining, 206.433594 MB of memory in use. ENERGY: 273200 766.0090 2099.7108 1946.3451 107.3069 -205839.1725 17689.9840 0.0000 0.0000 34114.2170 -149115.5997 297.9279 -183229.8167 -149019.5879 300.4116 -6.5061 32.5006 557104.1707 15.0181 14.8857 PRESSURE: 273400 -78.6649 126.833 -65.5242 126.832 129.308 -57.2957 -65.5228 -57.2971 18.0948 GPRESSURE: 273400 -21.9772 152.671 -3.50081 103.114 145.047 -128.607 -43.7547 -62.0755 47.4863 PRESSAVG: 273400 47.4384 4.28782 -16.0555 4.28796 -38.0127 34.8264 -16.0554 34.8264 -16.117 GPRESSAVG: 273400 48.6148 3.94634 -14.5224 4.01617 -39.4624 34.8663 -17.6168 33.1113 -15.7856 TIMING: 273400 CPU: 817.674, 0.00301044/step Wall: 817.674, 0.00301044/step, 3.95255 hours remaining, 206.433594 MB of memory in use. ENERGY: 273400 738.7950 2104.4816 1973.0367 117.7087 -205960.9699 17705.6786 0.0000 0.0000 34328.7830 -148992.4863 299.8018 -183321.2693 -148897.6135 300.1237 22.9126 56.8521 557462.2604 -2.2304 -2.2111 PRESSURE: 273600 255.917 22.6867 1.50341 22.6864 68.4786 -55.2695 1.50412 -55.2688 214.771 GPRESSURE: 273600 280.878 0.354766 51.6553 29.6944 106.892 20.0484 -8.36122 -96.9666 256.455 PRESSAVG: 273600 50.8971 35.0373 -6.18659 35.0374 4.95432 -34.8809 -6.18653 -34.881 10.1979 GPRESSAVG: 273600 49.6362 34.7024 -8.05421 36.568 5.19323 -36.1316 -4.01944 -33.1809 11.0885 TIMING: 273600 CPU: 818.275, 0.00300366/step Wall: 818.275, 0.00300366/step, 3.94347 hours remaining, 206.433594 MB of memory in use. ENERGY: 273600 718.1307 2018.5821 1971.5462 118.8289 -206065.0687 17999.6483 0.0000 0.0000 34213.1517 -149025.1807 298.7920 -183238.3325 -148933.6065 300.0406 179.7223 214.7417 558615.6413 22.0165 21.9726 PRESSURE: 273800 -159.775 137.873 -57.6976 137.874 148.248 90.3272 -57.6973 90.3281 -245.633 GPRESSURE: 273800 -138.586 150.725 -73.9625 141.855 261.022 48.5493 -51.2059 93.9018 -281.01 PRESSAVG: 273800 4.30577 27.3606 -39.019 27.3607 11.8956 -30.0227 -39.019 -30.0227 -24.7505 GPRESSAVG: 273800 5.47096 28.2117 -39.8985 26.4393 12.5605 -28.8129 -37.5092 -29.7067 -26.177 TIMING: 273800 CPU: 818.877, 0.0030109/step Wall: 818.877, 0.0030109/step, 3.95281 hours remaining, 206.433594 MB of memory in use. ENERGY: 273800 742.4350 2054.3623 1961.7745 114.6947 -206314.9943 17987.9327 0.0000 0.0000 34540.3279 -148913.4672 301.6493 -183453.7951 -148816.5234 299.9460 -85.7205 -52.8580 560062.8113 -2.8497 -2.7152 PRESSURE: 274000 48.428 -82.6716 -58.2586 -82.6719 -294.825 -101.099 -58.2591 -101.099 -188.215 GPRESSURE: 274000 66.1416 -21.7895 -144.013 -147.706 -244.616 -64.8857 -55.2025 -87.3066 -143.524 PRESSAVG: 274000 25.1358 41.8869 -44.9616 41.8869 -39.6591 -30.842 -44.9616 -30.842 39.9874 GPRESSAVG: 274000 23.558 42.2332 -43.105 40.0449 -40.3974 -31.2243 -46.8866 -29.5935 41.5188 TIMING: 274000 CPU: 819.48, 0.00301166/step Wall: 819.48, 0.00301166/step, 3.95364 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: 274000 778.3315 2066.6979 1963.4702 126.5598 -205476.2640 17507.8114 0.0000 0.0000 34255.3995 -148777.9936 299.1609 -183033.3931 -148679.1369 300.0740 -144.8706 -107.3328 560298.5532 8.4881 8.2265 PRESSURE: 274200 62.3138 106.535 102.514 106.536 33.2055 9.9032 102.514 9.90323 -45.8838 GPRESSURE: 274200 96.1453 105.684 66.5857 64.2365 76.9461 -61.3997 138.924 6.51977 -35.5373 PRESSAVG: 274200 9.89612 -2.44642 -3.53267 -2.44645 -32.9085 -22.7085 -3.53263 -22.7085 -15.1537 GPRESSAVG: 274200 10.5416 -2.69867 -2.93667 -1.66896 -32.1955 -21.9818 -3.53538 -24.2987 -16.48 TIMING: 274200 CPU: 820.083, 0.00301675/step Wall: 820.083, 0.00301675/step, 3.96015 hours remaining, 206.433594 MB of memory in use. ENERGY: 274200 758.9575 2114.2536 1934.6404 115.8069 -206077.5871 17917.7430 0.0000 0.0000 34307.2870 -148928.8988 299.6141 -183236.1858 -148836.9002 299.8775 16.5451 45.8514 559269.7687 -12.7221 -12.7113 PRESSURE: 274400 -56.7314 76.5073 104.2 76.5082 134.6 13.505 104.2 13.5051 179.649 GPRESSURE: 274400 38.187 124.839 56.7662 25.9286 136.209 112.252 92.1121 -20.408 193.528 PRESSAVG: 274400 39.3496 -4.59985 49.447 -4.59982 -39.1621 -15.0427 49.447 -15.0427 19.2057 GPRESSAVG: 274400 39.1039 -4.70787 50.1789 -6.31083 -39.0455 -15.002 48.2385 -14.8969 20.1034 TIMING: 274400 CPU: 820.68, 0.00298364/step Wall: 820.68, 0.00298364/step, 3.91652 hours remaining, 206.433594 MB of memory in use. ENERGY: 274400 747.8816 2146.9196 1919.1630 107.0421 -206404.3579 18094.5407 0.0000 0.0000 34458.0434 -148930.7675 300.9307 -183388.8110 -148834.9930 300.1188 85.8393 122.6413 559350.0945 6.4644 6.7206 PRESSURE: 274600 115.147 -105.316 43.5762 -105.315 151.167 -7.07448 43.5759 -7.07452 -47.8101 GPRESSURE: 274600 142.543 -48.2908 31.3648 -62.3205 205.155 -5.88057 99.7931 4.70496 -38.5997 PRESSAVG: 274600 8.73282 -24.3247 76.8216 -24.3246 -75.8667 -15.8019 76.8216 -15.802 47.804 GPRESSAVG: 274600 8.91689 -22.5372 75.6612 -20.7167 -76.1054 -15.9517 77.9552 -14.7823 47.8222 TIMING: 274600 CPU: 821.275, 0.0029763/step Wall: 821.275, 0.0029763/step, 3.90673 hours remaining, 206.433594 MB of memory in use. ENERGY: 274600 688.9996 2101.7502 1944.9904 107.8083 -206278.6044 17924.7467 0.0000 0.0000 34514.0419 -148996.2673 301.4197 -183510.3092 -148902.3650 299.8374 72.8348 103.0329 557480.9322 -6.4433 -6.4554 PRESSURE: 274800 -141.914 81.1831 -93.0188 81.1822 276.632 58.09 -93.0166 58.0902 124.643 GPRESSURE: 274800 -104.334 58.9432 -33.7331 4.52029 282.382 -5.01329 -20.8625 2.29909 182.56 PRESSAVG: 274800 12.9972 -34.5846 15.9787 -34.5847 -17.5428 -46.3311 15.9788 -46.331 -4.86196 GPRESSAVG: 274800 13.7145 -35.4206 15.5918 -36.2856 -18.1245 -46.7113 17.1521 -48.0665 -4.67191 TIMING: 274800 CPU: 821.877, 0.00300971/step Wall: 821.877, 0.00300971/step, 3.95041 hours remaining, 206.433594 MB of memory in use. ENERGY: 274800 733.8391 2097.6577 1931.8673 112.6838 -205987.1216 17857.5858 0.0000 0.0000 34252.6998 -149000.7882 299.1373 -183253.4880 -148901.7312 300.4562 86.4535 120.2027 556982.3879 -3.1359 -3.0273 PRESSURE: 275000 28.2998 111.369 169.387 111.368 86.9376 -113.639 169.387 -113.638 130.252 GPRESSURE: 275000 132.074 22.2806 202.791 114.231 51.7527 48.8795 91.4471 -111.619 160.358 PRESSAVG: 275000 -42.539 -21.894 47.6428 -21.8941 0.668467 -3.57172 47.6428 -3.57158 12.6114 GPRESSAVG: 275000 -42.4226 -23.7747 49.5383 -22.1744 1.38248 -3.27448 46.5819 -3.09958 11.6104 TIMING: 275000 CPU: 822.478, 0.00300723/step Wall: 822.478, 0.00300723/step, 3.94699 hours remaining, 206.433594 MB of memory in use. ENERGY: 275000 745.4539 2093.6792 1940.4792 109.4066 -206067.1775 17875.8855 0.0000 0.0000 34231.7928 -149070.4804 298.9548 -183302.2732 -148969.3857 299.8229 81.8297 114.7283 557245.9243 -9.7530 -9.8099 PRESSURE: 275200 -80.7514 -72.7011 -89.8514 -72.7017 451.317 81.5188 -89.8509 81.5189 74.988 GPRESSURE: 275200 -42.8437 1.02588 -28.4836 -58.539 434.598 88.5279 -3.65865 63.4918 151.54 PRESSAVG: 275200 -8.81089 50.7987 12.395 50.7987 33.3062 -13.1101 12.395 -13.1099 11.5739 GPRESSAVG: 275200 -9.3916 50.11 10.9278 52.6115 33.3932 -14.2122 15.1468 -9.59647 11.7874 TIMING: 275200 CPU: 823.079, 0.00300106/step Wall: 823.079, 0.00300106/step, 3.93872 hours remaining, 206.433594 MB of memory in use. ENERGY: 275200 724.1988 2056.6991 1945.9472 112.7105 -206135.7252 17872.6032 0.0000 0.0000 34298.0874 -149125.4789 299.5337 -183423.5664 -149023.5973 300.1212 148.5178 181.0981 557671.2020 12.0230 11.9297 PRESSURE: 275400 40.1665 -46.1835 12.9792 -46.1841 -36.7311 -205.259 12.9796 -205.259 -68.9427 GPRESSURE: 275400 54.7342 -23.7058 51.6065 -61.4065 16.6269 -188.503 -11.0278 -171.245 -51.9199 PRESSAVG: 275400 -12.7006 -5.05698 -34.7506 -5.05708 -61.1409 -2.55205 -34.7506 -2.55214 40.5283 GPRESSAVG: 275400 -13.5949 -4.23996 -35.4762 -4.15003 -59.806 -0.656628 -36.2741 -6.83812 39.8937 TIMING: 275400 CPU: 823.679, 0.00300282/step Wall: 823.679, 0.00300282/step, 3.94087 hours remaining, 206.433594 MB of memory in use. ENERGY: 275400 775.7352 2098.4037 1964.0323 111.8819 -206129.9925 17804.8102 0.0000 0.0000 34164.2783 -149210.8509 298.3651 -183375.1292 -149123.6016 300.0622 -21.8357 6.4804 559632.0637 -11.1044 -11.1691 PRESSURE: 275600 -370.581 -107.881 -21.2562 -107.882 -38.9112 -76.4632 -21.257 -76.4617 -3.67249 GPRESSURE: 275600 -321.648 -89.1274 18.1305 -115.368 21.8064 -35.7495 -60.3624 -54.7882 -10.961 PRESSAVG: 275600 -70.3542 17.3884 -7.95937 17.3885 59.125 -40.095 -7.95949 -40.0949 -6.00664 GPRESSAVG: 275600 -70.4599 18.9103 -6.94637 15.2522 58.9439 -39.9828 -9.10267 -42.0037 -5.69403 TIMING: 275600 CPU: 824.28, 0.00300645/step Wall: 824.28, 0.00300645/step, 3.94546 hours remaining, 206.433594 MB of memory in use. ENERGY: 275600 747.5168 2076.1144 1955.1459 130.1546 -206399.6419 17827.3249 0.0000 0.0000 34471.3026 -149192.0827 301.0465 -183663.3852 -149093.9105 299.6366 -137.7215 -103.6009 558707.2866 -5.7453 -5.7367 PRESSURE: 275800 101.497 -42.6984 133.268 -42.6988 -428.591 62.7758 133.269 62.7755 -23.9298 GPRESSURE: 275800 96.943 -84.7071 90.6511 19.1528 -396.05 71.3208 93.4436 5.76209 35.5475 PRESSAVG: 275800 8.82955 -15.6106 44.771 -15.6106 -26.2927 21.5623 44.771 21.5622 -2.66785 GPRESSAVG: 275800 9.65475 -16.9624 44.2488 -15.0424 -28.1408 19.2173 46.9616 25.059 -1.93634 TIMING: 275800 CPU: 824.891, 0.00305043/step Wall: 824.891, 0.00305043/step, 4.00301 hours remaining, 206.433594 MB of memory in use. ENERGY: 275800 790.1222 2078.3733 1948.7702 110.9250 -206160.8241 17853.2177 0.0000 0.0000 34289.8480 -149089.5678 299.4618 -183379.4158 -148994.2146 299.5218 -117.0080 -87.8531 557650.6296 -6.7103 -6.8075 PRESSURE: 276000 -100.689 -134.985 103.688 -134.986 -327.44 -128.867 103.689 -128.865 -137.022 GPRESSURE: 276000 -26.5725 -238.464 98.8153 -30.8448 -272.369 -94.9377 34.1066 -221.35 -163.465 PRESSAVG: 276000 58.1989 11.5601 -8.81147 11.56 19.226 80.7305 -8.81148 80.7304 -45.3993 GPRESSAVG: 276000 57.0429 12.423 -9.44051 11.7045 20.7408 83.3403 -10.5861 78.5154 -45.799 TIMING: 276000 CPU: 825.499, 0.00304271/step Wall: 825.499, 0.00304271/step, 3.99271 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: 276000 740.3813 2102.7937 1938.9359 117.2301 -205808.4300 17410.9015 0.0000 0.0000 34403.8141 -149094.3732 300.4571 -183498.1873 -149000.5874 299.3457 -188.3837 -154.1355 557130.0771 10.6752 10.6616 PRESSURE: 276200 149.642 -0.29972 -138.625 -0.299308 -257.519 -134.618 -138.626 -134.617 127.54 GPRESSURE: 276200 172.866 30.9292 -159.865 59.7734 -224.482 -202.268 -150.2 -131.547 155.366 PRESSAVG: 276200 55.3176 -34.8051 -25.9184 -34.8052 -65.2207 -33.7144 -25.9184 -33.7144 -3.54971 GPRESSAVG: 276200 54.9672 -36.8999 -26.1076 -34.0197 -64.0514 -36.6078 -25.0515 -31.5228 -4.87211 TIMING: 276200 CPU: 826.11, 0.00305519/step Wall: 826.11, 0.00305519/step, 4.00892 hours remaining, 206.433594 MB of memory in use. ENERGY: 276200 766.7798 2073.7350 1961.2633 114.5325 -206088.5297 17821.3438 0.0000 0.0000 34286.7393 -149064.1360 299.4346 -183350.8752 -148963.4376 300.0111 6.5547 34.5832 556936.6030 -4.4843 -4.6521 LDB: ============= START OF LOAD BALANCING ============== 829.631 LDB: ============== END OF LOAD BALANCING =============== 829.631 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 829.633 LDB: ============= START OF LOAD BALANCING ============== 829.939 LDB: Largest compute 4773 load 0.032118 is 27.3% of average load 0.117768 LDB: Average compute 0.001726 is 1.5% of average load 0.117768 LDB: TIME 829.941 LOAD: AVG 0.117768 MAX 0.214362 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.211 MB LDB: TIME 829.941 LOAD: AVG 0.117768 MAX 0.214362 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.215 MB LDB: TIME 829.941 LOAD: AVG 0.117768 MAX 0.214362 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.215 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 829.943 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 829.948 PRESSURE: 276400 82.3203 -25.3071 93.9792 -25.3069 45.5697 98.1208 93.9793 98.1205 297.417 GPRESSURE: 276400 126.901 -106.471 50.058 66.8369 82.0588 174.441 88.5904 141.079 309.11 PRESSAVG: 276400 3.5831 -54.3366 48.1122 -54.3366 47.7662 -3.02083 48.1122 -3.02087 -49.3805 GPRESSAVG: 276400 4.86076 -50.8565 49.6668 -54.2627 45.4861 -3.53341 47.0948 -1.78654 -48.0619 TIMING: 276400 CPU: 826.731, 0.00310438/step Wall: 826.731, 0.00310438/step, 4.07329 hours remaining, 205.003906 MB of memory in use. ENERGY: 276400 755.2733 2073.6467 1955.2733 114.1203 -206315.9574 18107.8492 0.0000 0.0000 34367.5369 -148942.2578 300.1402 -183309.7946 -148839.4602 299.4952 141.7690 172.6900 556929.7476 0.6563 0.7617 PRESSURE: 276600 101.125 -67.3293 -2.28199 -67.3283 -19.3933 23.4092 -2.28109 23.4089 229.324 GPRESSURE: 276600 121.213 -59.1145 34.7624 -62.6915 28.3574 -1.11193 -18.6159 23.4748 252.263 PRESSAVG: 276600 35.2742 -34.3886 22.6967 -34.3885 -37.1878 -30.5753 22.6968 -30.5753 31.175 GPRESSAVG: 276600 34.0275 -37.3303 20.4783 -34.212 -35.6975 -31.0326 24.3156 -30.9649 31.2536 TIMING: 276600 CPU: 827.337, 0.00303149/step Wall: 827.337, 0.00303149/step, 3.97748 hours remaining, 205.207031 MB of memory in use. ENERGY: 276600 741.8211 2109.6732 1932.8251 126.3594 -206094.9501 17902.8877 0.0000 0.0000 34366.4686 -148914.9150 300.1309 -183281.3835 -148828.7100 300.4053 103.6853 133.9445 557895.5502 9.7538 9.8612 PRESSURE: 276800 -293.743 -62.5156 -43.9034 -62.5156 -228.023 12.8793 -43.904 12.8804 -329.57 GPRESSURE: 276800 -273.802 -87.0223 -76.0795 -9.12872 -186.532 -44.1174 8.83049 70.6474 -308.949 PRESSAVG: 276800 -21.0189 7.05909 -12.7472 7.05913 -41.2322 -25.2481 -12.7472 -25.2481 53.2474 GPRESSAVG: 276800 -20.7045 8.36898 -10.607 6.85459 -41.8771 -22.0955 -14.825 -26.7493 53.9826 TIMING: 276800 CPU: 827.949, 0.00305693/step Wall: 827.949, 0.00305693/step, 4.01069 hours remaining, 205.207031 MB of memory in use. ENERGY: 276800 757.7902 2098.6402 1962.5097 116.4737 -205716.7007 17459.9149 0.0000 0.0000 34455.6991 -148865.6729 300.9102 -183321.3720 -148765.2882 300.2173 -283.7787 -256.4275 560515.1937 -3.0012 -2.8663 PRESSURE: 277000 -183.296 156.058 68.8647 156.057 133.101 209.896 68.8645 209.896 -147.487 GPRESSURE: 277000 -111.89 133.277 9.38599 184.991 134.566 113.953 92.1512 206.095 -115.075 PRESSAVG: 277000 -40.3616 -5.76583 27.9533 -5.76587 34.3115 45.3927 27.9533 45.3927 8.84866 GPRESSAVG: 277000 -39.1752 -4.07452 27.406 -7.19707 34.3891 44.3231 27.6558 46.2416 8.05047 TIMING: 277000 CPU: 828.549, 0.00300218/step Wall: 828.549, 0.00300218/step, 3.9387 hours remaining, 205.207031 MB of memory in use. ENERGY: 277000 757.5845 2098.3752 1954.3711 105.0484 -205918.7050 17854.3431 0.0000 0.0000 34252.6497 -148896.3329 299.1369 -183148.9826 -148798.6135 300.3188 -65.8939 -30.7994 559580.9225 0.9329 1.0881 PRESSURE: 277200 -183.083 128.059 101.17 128.058 -182.519 25.9406 101.17 25.9399 15.7293 GPRESSURE: 277200 -120.292 114.759 167.34 82.5936 -168.443 -7.82997 5.48888 18.8505 27.5547 PRESSAVG: 277200 -10.1307 44.3491 16.3065 44.349 24.5962 33.6621 16.3064 33.6622 32.0452 GPRESSAVG: 277200 -11.3023 42.1494 16.8618 46.2328 25.0271 34.0915 16.1791 32.2304 32.013 TIMING: 277200 CPU: 829.153, 0.00302096/step Wall: 829.153, 0.00302096/step, 3.96317 hours remaining, 205.207031 MB of memory in use. ENERGY: 277200 763.5565 2081.4618 1957.6836 114.5486 -206044.9403 17714.8717 0.0000 0.0000 34700.9220 -148711.8961 303.0518 -183412.8181 -148619.8636 300.6540 -116.6240 -87.0599 558893.0322 15.5036 15.2459 PRESSURE: 277400 -409.436 -90.8593 112.188 -90.8592 -121.261 -219.6 112.188 -219.601 284.433 GPRESSURE: 277400 -360.633 -92.6602 128.754 -104.199 -97.53 -139.167 183.121 -226.454 313.483 PRESSAVG: 277400 -119.052 -26.373 -20.1591 -26.3729 71.5698 14.7746 -20.1591 14.7746 66.3246 GPRESSAVG: 277400 -119.997 -25.3369 -21.2359 -26.7078 72.7052 14.0206 -18.4408 15.9827 65.8441 TIMING: 277400 CPU: 829.755, 0.0030079/step Wall: 829.755, 0.0030079/step, 3.94587 hours remaining, 205.207031 MB of memory in use. ENERGY: 277400 800.8412 2104.4121 1969.8949 127.7430 -205913.2350 17635.8608 0.0000 0.0000 34446.0808 -148828.4022 300.8262 -183274.4830 -148734.8745 301.4046 -82.0878 -48.2267 557917.3294 6.2808 6.1841 PRESSURE: 277600 33.1008 15.7747 10.7175 15.775 11.2564 25.6543 10.7168 25.6548 -192.714 GPRESSURE: 277600 63.1902 33.0532 10.9883 25.0964 23.2238 65.8697 29.9062 -27.0773 -142.785 PRESSAVG: 277600 -55.6314 -2.49871 38.8642 -2.49876 13.9762 39.5831 38.8642 39.583 28.22 GPRESSAVG: 277600 -53.7769 -3.29519 39.5056 -2.85636 12.3968 38.8124 37.0958 39.5136 27.4516 TIMING: 277600 CPU: 830.362, 0.0030344/step Wall: 830.362, 0.0030344/step, 3.98046 hours remaining, 205.207031 MB of memory in use. ENERGY: 277600 780.3635 2134.1029 1954.2457 110.5426 -205720.5755 17595.4073 0.0000 0.0000 34459.8341 -148686.0794 300.9463 -183145.9135 -148588.2220 300.3147 -49.4522 -18.7904 556912.5769 -4.4784 -4.6428 PRESSURE: 277800 -271.341 142.472 51.5333 142.472 -262.616 -73.7596 51.5349 -73.7608 -161.49 GPRESSURE: 277800 -262.63 154.3 73.0843 139.123 -232.599 32.3846 66.0106 -127.965 -113.737 PRESSAVG: 277800 -53.2418 31.1263 50.3054 31.1264 89.5729 38.355 50.3054 38.3549 22.4389 GPRESSAVG: 277800 -53.6195 32.568 49.5432 31.3818 88.9258 38.35 52.1748 37.5671 23.4213 TIMING: 277800 CPU: 830.971, 0.00304422/step Wall: 830.971, 0.00304422/step, 3.99318 hours remaining, 205.207031 MB of memory in use. ENERGY: 277800 744.5659 2166.3926 1952.9448 112.9571 -205565.0420 17416.7695 0.0000 0.0000 34424.6041 -148746.8079 300.6386 -183171.4120 -148648.5550 300.5812 -231.8156 -202.9885 557707.4864 19.5900 19.5759 PRESSURE: 278000 126.711 -78.0164 17.2478 -78.0179 86.1684 -7.33438 17.2476 -7.33352 309.24 GPRESSURE: 278000 172.475 -43.8747 -28.5236 -105.357 63.163 7.88255 17.0026 -40.8675 390.989 PRESSAVG: 278000 -30.0721 -11.4349 109.949 -11.4349 -26.6951 14.1101 109.949 14.1101 73.1257 GPRESSAVG: 278000 -30.4562 -12.9895 108.787 -11.1598 -25.859 15.2397 110.03 14.341 72.9558 TIMING: 278000 CPU: 831.576, 0.0030295/step Wall: 831.576, 0.0030295/step, 3.9737 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: 278000 736.1536 2127.4914 1952.6177 115.0306 -206097.0858 18007.4006 0.0000 0.0000 34364.2811 -148794.1107 300.1118 -183158.3919 -148695.0614 300.1196 174.0397 208.8758 556554.6196 5.4528 5.5469 PRESSURE: 278200 19.4928 77.3369 -114.36 77.3368 42.4133 -138.999 -114.361 -138.998 50.5929 GPRESSURE: 278200 100.249 72.2237 -74.9939 86.9686 71.294 8.34945 -145.768 -174.707 31.7543 PRESSAVG: 278200 13.3982 18.085 25.8131 18.085 -23.4122 14.4779 25.8131 14.478 28.4007 GPRESSAVG: 278200 13.3952 18.4922 26.7478 17.1427 -23.0568 14.3619 26.3169 15.355 27.8836 TIMING: 278200 CPU: 832.175, 0.0029937/step Wall: 832.175, 0.0029937/step, 3.92657 hours remaining, 205.207031 MB of memory in use. ENERGY: 278200 762.8216 2155.6085 1956.1835 115.8580 -206440.5476 18061.6504 0.0000 0.0000 34500.9513 -148887.4744 301.3054 -183388.4257 -148787.0783 300.6363 37.4996 67.7659 557663.4837 6.1289 6.0740 PRESSURE: 278400 -212.1 -106.417 -168.233 -106.416 138.342 -26.7038 -168.233 -26.7022 -46.0611 GPRESSURE: 278400 -157.75 -80.145 -165.06 -73.614 160.85 25.204 -135.234 45.5933 -41.5594 PRESSAVG: 278400 -83.7416 9.95395 -50.8035 9.95401 1.45189 -15.601 -50.8035 -15.6009 69.6608 GPRESSAVG: 278400 -83.8464 11.7192 -50.1164 9.93275 2.20539 -16.1914 -52.0044 -17.4026 69.0763 TIMING: 278400 CPU: 832.776, 0.00300611/step Wall: 832.776, 0.00300611/step, 3.94268 hours remaining, 205.207031 MB of memory in use. ENERGY: 278400 763.1522 2105.9312 1926.4408 120.9136 -205747.1915 17607.4279 0.0000 0.0000 34310.6756 -148912.6502 299.6437 -183223.3258 -148818.5495 300.6711 -39.9398 -12.8198 557703.6478 -4.2096 -4.1882 PRESSURE: 278600 -45.5158 -135.66 -263.025 -135.66 262.817 -91.5068 -263.024 -91.5072 -87.7377 GPRESSURE: 278600 0.791125 -99.8892 -243.704 -104.577 281.41 -76.5274 -234.607 -28.0051 -51.0495 PRESSAVG: 278600 -61.045 -28.2434 -65.2096 -28.2434 1.73622 -35.8406 -65.2096 -35.8406 38.7911 GPRESSAVG: 278600 -60.6492 -29.8073 -64.9796 -27.4513 1.39185 -37.209 -64.8862 -33.5938 39.1551 TIMING: 278600 CPU: 833.372, 0.00297844/step Wall: 833.372, 0.00297844/step, 3.90622 hours remaining, 205.207031 MB of memory in use. ENERGY: 278600 758.5043 2136.9950 1938.2136 125.0352 -206206.6657 17808.4281 0.0000 0.0000 34521.2324 -148918.2571 301.4825 -183439.4895 -148821.8017 300.6442 43.1877 77.0504 557843.4923 -6.8392 -6.7007 PRESSURE: 278800 131.695 -3.54672 -98.8132 -3.54576 -92.604 -73.1398 -98.8144 -73.138 -244.203 GPRESSURE: 278800 172.739 -9.57543 -161.149 -38.9207 -73.7582 -65.1471 -138.085 -121.9 -208.358 PRESSAVG: 278800 -30.9997 6.00789 -37.5857 6.00796 -41.1465 -10.1061 -37.5856 -10.106 22.3018 GPRESSAVG: 278800 -30.8107 6.93365 -38.8474 4.83702 -40.9581 -8.61871 -37.8588 -11.2321 22.5767 TIMING: 278800 CPU: 833.97, 0.00298817/step Wall: 833.97, 0.00298817/step, 3.91882 hours remaining, 205.207031 MB of memory in use. ENERGY: 278800 742.5382 2092.1576 1973.7096 114.7874 -205693.8016 17578.4498 0.0000 0.0000 34305.0203 -148887.1387 299.5943 -183192.1590 -148789.9185 299.5970 -68.3707 -36.4591 557795.6500 -16.6148 -16.3974 PRESSURE: 279000 -129.732 -59.5744 110.137 -59.5747 -163.763 -202.95 110.137 -202.95 -80.0762 GPRESSURE: 279000 -68.8736 -44.5665 -4.62778 -103.847 -154.693 -211.696 179.455 -166.88 -53.5114 PRESSAVG: 279000 64.3966 -36.8646 -22.7956 -36.8647 2.59405 -16.9441 -22.7956 -16.9441 -22.4545 GPRESSAVG: 279000 64.9485 -37.0441 -22.7461 -37.8538 2.5107 -16.893 -23.3169 -16.9015 -23.3893 TIMING: 279000 CPU: 834.575, 0.00302494/step Wall: 834.575, 0.00302494/step, 3.96687 hours remaining, 205.207031 MB of memory in use. ENERGY: 279000 769.7293 2080.9456 1967.6342 95.1352 -205765.5395 17667.6468 0.0000 0.0000 34353.8051 -148830.6433 300.0203 -183184.4484 -148733.8249 300.4258 -124.5236 -92.3595 558525.5743 14.8454 14.6900 PRESSURE: 279200 -288.646 14.086 53.2525 14.0857 -126.494 -73.8004 53.2519 -73.7987 -236.234 GPRESSURE: 279200 -265.248 16.728 80.0859 -71.6511 -64.701 -83.8057 37.5475 9.34391 -222.815 PRESSAVG: 279200 -3.58755 4.23527 -30.3886 4.23513 -39.157 -14.0359 -30.3887 -14.036 -6.41186 GPRESSAVG: 279200 -4.46497 2.93146 -30.9233 6.46567 -38.8843 -14.4314 -29.0823 -13.1552 -6.0814 TIMING: 279200 CPU: 835.177, 0.00300999/step Wall: 835.177, 0.00300999/step, 3.94711 hours remaining, 205.207031 MB of memory in use. ENERGY: 279200 775.8246 2105.6535 1954.0312 110.8550 -205773.8771 17570.0115 0.0000 0.0000 34440.1436 -148817.3577 300.7743 -183257.5013 -148724.3288 299.8954 -217.1248 -184.2546 558160.0961 -16.3855 -16.4769 PRESSURE: 279400 149.614 -56.7042 73.4254 -56.7049 -196.447 -72.4258 73.4244 -72.4272 167.59 GPRESSURE: 279400 84.8496 -53.3757 95.9655 -90.5381 -136.707 -58.384 -37.3326 -41.7357 272.42 PRESSAVG: 279400 -52.3436 9.99774 23.3872 9.99767 0.311633 -61.0276 23.3871 -61.0276 82.5199 GPRESSAVG: 279400 -52.8608 7.89514 22.9163 9.53092 0.411146 -60.5429 23.3138 -62.9864 83.0354 TIMING: 279400 CPU: 835.783, 0.00302934/step Wall: 835.783, 0.00302934/step, 3.9723 hours remaining, 205.207031 MB of memory in use. ENERGY: 279400 748.0212 2065.5290 1934.4524 114.8432 -206046.9041 17927.0756 0.0000 0.0000 34309.2643 -148947.7185 299.6313 -183256.9828 -148846.4862 300.4157 40.2523 73.5208 556581.1564 10.1627 10.1952 PRESSURE: 279600 132.982 87.9107 35.0841 87.9115 145.572 -36.1556 35.0824 -36.1547 38.9969 GPRESSURE: 279600 179.521 123.799 74.1535 -43.5949 129.506 135.381 52.552 -12.1162 103.757 PRESSAVG: 279600 -13.5618 59.5398 -28.9955 59.5398 -39.379 -55.6763 -28.9955 -55.6763 54.6722 GPRESSAVG: 279600 -12.6107 61.4783 -26.0301 59.458 -40.2257 -53.4685 -30.2185 -52.5958 54.8785 TIMING: 279600 CPU: 836.391, 0.00304068/step Wall: 836.391, 0.00304068/step, 3.98701 hours remaining, 205.207031 MB of memory in use. ENERGY: 279600 717.5620 2057.9602 1947.6667 107.7549 -206369.8587 18072.3341 0.0000 0.0000 34534.9893 -148931.5915 301.6027 -183466.5809 -148834.1917 300.2115 105.8506 137.5948 558024.7563 0.5771 0.6807 PRESSURE: 279800 -0.925547 157.323 34.2384 157.323 -24.81 -95.581 34.2372 -95.5805 69.6995 GPRESSURE: 279800 95.6297 223.484 -62.7353 150.042 -35.8838 -147.309 37.3988 -82.8764 74.726 PRESSAVG: 279800 -32.6571 19.3749 -53.4358 19.375 4.81518 22.5946 -53.4359 22.5945 22.2312 GPRESSAVG: 279800 -32.3583 20.4921 -56.9218 18.2975 4.8048 21.2152 -52.3637 20.9668 21.2501 TIMING: 279800 CPU: 836.993, 0.0030122/step Wall: 836.993, 0.0030122/step, 3.9495 hours remaining, 205.207031 MB of memory in use. ENERGY: 279800 741.3399 2147.2638 1964.1767 116.1605 -205995.9858 17770.3914 0.0000 0.0000 34371.0587 -148885.5948 300.1710 -183256.6535 -148795.4100 300.3811 14.6547 44.8240 556600.9693 -1.8702 -2.1011 PRESSURE: 280000 45.463 -30.1392 -134.259 -30.1404 -52.1159 66.6318 -134.26 66.6305 -13.5293 GPRESSURE: 280000 62.1903 -134.03 -51.4304 -17.1118 -44.734 71.5617 -204.53 59.0987 47.5087 PRESSAVG: 280000 12.3841 51.6924 19.0904 51.6925 -33.6384 78.6271 19.0904 78.6271 82.4168 GPRESSAVG: 280000 10.9498 51.7366 20.3736 53.7018 -32.8898 78.8061 17.9714 78.7613 82.8808 TIMING: 280000 CPU: 837.592, 0.00299461/step Wall: 837.592, 0.00299461/step, 3.92626 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: 280000 767.4976 2091.6862 1986.0233 106.5640 -205918.7815 17686.3874 0.0000 0.0000 34325.1932 -148955.4298 299.7704 -183280.6230 -148860.8282 300.6387 -6.7274 21.6550 557970.7785 20.3875 20.3136 PRESSURE: 280200 -216.325 -76.0901 141.201 -76.0911 49.0824 43.5643 141.201 43.5657 76.0779 GPRESSURE: 280200 -111.048 -106.506 127.008 -94.5488 92.3727 -11.8068 70.5543 111.879 27.3725 PRESSAVG: 280200 3.60012 -9.66267 -9.38795 -9.66271 11.5371 -3.26284 -9.38799 -3.26283 23.0992 GPRESSAVG: 280200 3.55526 -11.0436 -8.60008 -10.8596 9.91571 -2.65761 -8.63206 -1.83912 24.4145 TIMING: 280200 CPU: 838.191, 0.00299663/step Wall: 838.191, 0.00299663/step, 3.92875 hours remaining, 205.449219 MB of memory in use. ENERGY: 280200 773.8096 2149.5172 1940.5230 110.0267 -206357.0249 17952.0290 0.0000 0.0000 34347.0272 -149084.0921 299.9611 -183431.1194 -148993.5771 300.2581 -30.3881 2.8992 558169.5711 12.7455 12.6285 LDB: ============= START OF LOAD BALANCING ============== 841.707 LDB: ============== END OF LOAD BALANCING =============== 841.707 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 841.708 LDB: ============= START OF LOAD BALANCING ============== 842.005 LDB: Largest compute 4773 load 0.031801 is 27.0% of average load 0.117832 LDB: Average compute 0.001735 is 1.5% of average load 0.117832 LDB: TIME 842.007 LOAD: AVG 0.117832 MAX 0.207988 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.805 MB LDB: TIME 842.008 LOAD: AVG 0.117832 MAX 0.207988 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.848 MB LDB: TIME 842.008 LOAD: AVG 0.117832 MAX 0.207988 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.848 MB LDB: ============== END OF LOAD BALANCING =============== 842.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 842.014 PRESSURE: 280400 -144.748 -7.84762 -23.7444 -7.8472 -164.638 -68.5164 -23.7448 -68.5178 2.22536 GPRESSURE: 280400 -100.051 9.74773 -84.9022 -25.3515 -118.842 -48.7864 11.453 -59.2348 -2.62025 PRESSAVG: 280400 -14.877 -14.1279 1.02343 -14.1279 -42.6309 -33.0314 1.02336 -33.0315 34.785 GPRESSAVG: 280400 -13.7533 -12.2169 -0.144638 -14.7568 -42.0257 -33.7975 2.73181 -35.4888 32.8496 TIMING: 280400 CPU: 838.797, 0.00302837/step Wall: 838.797, 0.00302837/step, 3.97019 hours remaining, 206.359375 MB of memory in use. ENERGY: 280400 761.7379 2050.0718 1939.5596 110.1029 -206202.5255 17883.7488 0.0000 0.0000 34241.4883 -149215.8162 299.0394 -183457.3045 -149126.5456 299.9793 -102.3869 -73.8378 558857.8984 -7.5743 -7.6431 PRESSURE: 280600 -304.993 93.8104 81.9325 93.8108 -44.2056 -33.7952 81.9312 -33.7937 -212.422 GPRESSURE: 280600 -298.495 159.47 98.676 167.319 -27.88 5.50121 27.7173 -114.641 -147.255 PRESSAVG: 280600 27.2765 28.6419 32.3575 28.6419 -47.507 8.28721 32.3576 8.28722 13.466 GPRESSAVG: 280600 27.8029 27.4495 33.7808 30.2457 -48.2249 7.37035 31.5639 11.0881 13.7019 TIMING: 280600 CPU: 839.39, 0.00296437/step Wall: 839.39, 0.00296437/step, 3.88612 hours remaining, 206.359375 MB of memory in use. ENERGY: 280600 778.8938 2100.7756 1920.3789 108.2705 -205986.9235 17630.5999 0.0000 0.0000 34202.9034 -149245.1013 298.7025 -183448.0048 -149136.3242 299.3930 -187.2067 -157.8767 558044.9936 -2.2549 -2.2400 PRESSURE: 280800 -294.448 -37.9954 -16.3534 -37.9951 -232.611 79.1967 -16.3527 79.1969 -43.4485 GPRESSURE: 280800 -293.701 -75.5899 -24.6289 -21.1668 -132.38 50.703 7.52709 35.353 -35.7783 PRESSAVG: 280800 38.1924 39.6827 21.3018 39.6826 -57.6319 24.1797 21.3018 24.1796 -6.52436 GPRESSAVG: 280800 39.0236 40.4483 19.8241 37.3803 -59.0776 25.8651 20.2798 21.5944 -5.86983 TIMING: 280800 CPU: 839.989, 0.00299508/step Wall: 839.989, 0.00299508/step, 3.92622 hours remaining, 206.359375 MB of memory in use. ENERGY: 280800 768.9965 2070.6175 1929.8877 107.6913 -205830.2591 17577.8495 0.0000 0.0000 34029.5193 -149345.6973 297.1883 -183375.2166 -149251.6573 299.3006 -190.1691 -153.9532 558203.6866 -8.6546 -8.6413 PRESSURE: 281000 -200.847 -35.5412 149.397 -35.5411 -179.627 -143.071 149.398 -143.069 11.6704 GPRESSURE: 281000 -221.773 0.783731 173.075 -10.3275 -106.946 -180.41 153.535 -127.297 61.3472 PRESSAVG: 281000 35.657 6.23029 17.3434 6.23025 -12.152 -28.6291 17.3433 -28.629 -12.3326 GPRESSAVG: 281000 35.1934 8.28851 19.0693 5.13619 -10.6337 -30.5225 17.3283 -27.1714 -14.0514 TIMING: 281000 CPU: 840.588, 0.00299461/step Wall: 840.588, 0.00299461/step, 3.92544 hours remaining, 206.359375 MB of memory in use. ENERGY: 281000 725.3604 2104.5210 1924.5774 106.6345 -206303.9068 17656.4004 0.0000 0.0000 34225.6865 -149560.7266 298.9014 -183786.4131 -149462.9752 298.5152 -122.9344 -89.1237 557471.0775 3.7241 3.5028 PRESSURE: 281200 78.7116 76.9636 32.738 76.9631 -60.4318 95.819 32.7369 95.8173 -243.199 GPRESSURE: 281200 119.587 16.1475 7.20873 171.123 -9.69437 102.376 -15.2671 85.866 -235.067 PRESSAVG: 281200 -13.8685 32.9978 -3.87114 32.9978 31.885 -20.4575 -3.87119 -20.4575 -25.1443 GPRESSAVG: 281200 -14.7544 32.0381 -3.59612 37.2784 32.3341 -21.4584 -3.84791 -19.6956 -24.3911 TIMING: 281200 CPU: 841.19, 0.00301215/step Wall: 841.19, 0.00301215/step, 3.94825 hours remaining, 206.359375 MB of memory in use. ENERGY: 281200 774.5955 2125.1589 1930.8029 95.3922 -205926.6921 17659.5315 0.0000 0.0000 34018.1136 -149323.0975 297.0886 -183341.2111 -149236.3698 298.2425 -74.9732 -41.7248 558196.9510 -2.3759 -2.2705 PRESSURE: 281400 100.639 126.209 -109.649 126.209 -136.056 -150.105 -109.649 -150.106 76.423 GPRESSURE: 281400 191.91 92.6002 -86.2993 141.604 -160.234 -127.102 -142.093 -154.744 99.8309 PRESSAVG: 281400 54.885 73.4479 -21.7155 73.4479 -30.2426 -7.68907 -21.7155 -7.68925 -19.9534 GPRESSAVG: 281400 54.8764 72.0382 -22.0536 70.6414 -30.9428 -6.27147 -20.3687 -7.46398 -19.5675 TIMING: 281400 CPU: 841.802, 0.00305777/step Wall: 841.802, 0.00305777/step, 4.00789 hours remaining, 206.359375 MB of memory in use. ENERGY: 281400 757.9794 2085.4969 1950.2933 111.6394 -206493.4128 18025.4129 0.0000 0.0000 34077.5551 -149485.0357 297.6078 -183562.5908 -149389.8655 298.3389 13.6687 43.8357 558319.0324 1.5630 1.4554 PRESSURE: 281600 -171.747 -4.9552 152.142 -4.95561 -21.4813 -29.7549 152.142 -29.7552 -14.2434 GPRESSURE: 281600 -145.113 -18.2006 110.788 -62.843 39.1729 57.315 139.763 -29.8191 0.372972 PRESSAVG: 281600 75.1754 -62.9633 5.07085 -62.9633 -78.4442 11.9703 5.07087 11.9702 3.83057 GPRESSAVG: 281600 74.87 -62.2748 4.32899 -60.6263 -78.2707 13.484 6.03627 11.3072 4.1623 TIMING: 281600 CPU: 842.401, 0.00299291/step Wall: 842.401, 0.00299291/step, 3.92271 hours remaining, 206.359375 MB of memory in use. ENERGY: 281600 769.0271 2053.7735 1959.2295 114.6887 -206358.4604 17811.2217 0.0000 0.0000 34164.2570 -149486.2629 298.3650 -183650.5199 -149384.0309 298.1757 -69.1571 -35.1891 557695.5723 0.1873 0.2538 PRESSURE: 281800 -82.8275 -43.1275 29.0066 -43.1273 -129.144 -65.7631 29.0044 -65.7633 -373.105 GPRESSURE: 281800 -71.6496 -52.4627 61.3247 -99.054 -114.108 -20.9017 45.9256 -122.563 -320.649 PRESSAVG: 281800 39.7863 24.1358 69.4128 24.1357 21.4848 87.3483 69.4129 87.3482 -60.9726 GPRESSAVG: 281800 39.7649 22.2465 69.9018 22.7186 21.1026 86.3683 68.8508 87.9443 -60.9236 TIMING: 281800 CPU: 842.997, 0.00298086/step Wall: 842.997, 0.00298086/step, 3.90675 hours remaining, 206.359375 MB of memory in use. ENERGY: 281800 739.2901 2143.4219 1940.3652 119.4356 -206153.8500 17649.1467 0.0000 0.0000 34086.4298 -149475.7608 297.6853 -183562.1905 -149374.5741 298.3111 -195.0253 -168.8020 558703.4398 0.0995 -0.0187 PRESSURE: 282000 83.1451 1.57266 176.955 1.57137 -209.978 -155.801 176.955 -155.8 -104.594 GPRESSURE: 282000 119.856 -12.2305 168.991 -13.4074 -206.478 -57.3758 150.32 -269.48 -47.2337 PRESSAVG: 282000 45.6161 -11.2402 8.25688 -11.2402 -61.983 36.2166 8.25693 36.2165 -6.37733 GPRESSAVG: 282000 45.7252 -10.8231 7.64148 -10.6346 -62.4067 35.2347 9.50875 33.3909 -5.67931 TIMING: 282000 CPU: 843.593, 0.00298061/step Wall: 843.593, 0.00298061/step, 3.90625 hours remaining, 206.359375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 282000 733.2501 2069.9639 1939.9928 109.9781 -206355.8311 17764.5288 0.0000 0.0000 34312.1563 -149425.9611 299.6566 -183738.1174 -149324.9512 299.4942 -77.1422 -44.6187 557203.8260 -7.5814 -7.4536 PRESSURE: 282200 -109.139 -48.1838 -34.4421 -48.1821 -159.897 17.0917 -34.4405 17.0918 -456.177 GPRESSURE: 282200 -57.3649 -36.5723 55.1927 -101.537 -177.744 -36.1325 -115.889 86.1187 -407.243 PRESSAVG: 282200 -10.7738 12.4672 27.3604 12.4672 35.9719 -3.61058 27.3604 -3.61064 -74.1598 GPRESSAVG: 282200 -10.5506 11.0831 27.9854 13.4607 36.1118 -4.09847 26.6004 -2.92373 -74.1923 TIMING: 282200 CPU: 844.186, 0.00296631/step Wall: 844.186, 0.0029663/step, 3.88734 hours remaining, 206.359375 MB of memory in use. ENERGY: 282200 790.5527 2098.6348 1986.4956 125.8050 -206002.1768 17471.1512 0.0000 0.0000 34141.9226 -149387.6149 298.1699 -183529.5375 -149295.0478 298.7770 -241.7378 -214.1173 557185.7748 -16.3206 -16.2104 PRESSURE: 282400 99.0231 112.84 -11.2085 112.84 -32.3887 132.995 -11.209 132.997 68.4438 GPRESSURE: 282400 160.797 51.5114 -30.1866 121.86 -21.8091 91.2035 -17.2521 159.613 85.7463 PRESSAVG: 282400 45.1027 47.4147 2.86181 47.4148 -10.9594 29.1949 2.8617 29.195 -0.85961 GPRESSAVG: 282400 45.1505 48.9816 3.45697 45.825 -10.6506 29.3416 3.859 30.3348 -1.77035 TIMING: 282400 CPU: 844.784, 0.00298874/step Wall: 844.784, 0.00298874/step, 3.91658 hours remaining, 206.359375 MB of memory in use. ENERGY: 282400 739.8873 2062.2486 1932.3647 118.9428 -206481.6921 17931.2642 0.0000 0.0000 34316.3005 -149380.6840 299.6928 -183696.9845 -149282.4537 299.2866 45.0260 74.9115 556123.7418 11.0946 10.9098 PRESSURE: 282600 -255.283 -59.1052 -58.2538 -59.1038 -273.695 157.078 -58.2541 157.077 -46.5818 GPRESSURE: 282600 -280.176 -22.0157 -183.422 -69.0696 -212.759 144.672 -39.1969 181.277 11.1801 PRESSAVG: 282600 -42.4667 27.7353 41.9083 27.7352 -9.7148 13.3863 41.9083 13.3863 17.2278 GPRESSAVG: 282600 -42.5239 28.4721 40.1731 28.2253 -10.4199 16.1982 40.3131 11.3105 17.5437 TIMING: 282600 CPU: 845.382, 0.0029929/step Wall: 845.382, 0.0029929/step, 3.92186 hours remaining, 206.359375 MB of memory in use. ENERGY: 282600 773.6057 2054.1077 1936.6445 100.4344 -205988.8549 17524.9543 0.0000 0.0000 34259.8511 -149339.2572 299.1998 -183599.1083 -149242.4867 299.5322 -191.8532 -160.5849 555767.5502 -11.6512 -11.8000 PRESSURE: 282800 126.343 153.525 47.211 153.526 102.316 -16.2175 47.2099 -16.2191 -67.8335 GPRESSURE: 282800 193.428 167.12 30.3866 223.596 148.129 141.988 138.409 5.53231 -66.1485 PRESSAVG: 282800 44.2022 -37.3485 -93.3317 -37.3486 10.9624 -20.6212 -93.3317 -20.6212 -23.2383 GPRESSAVG: 282800 43.7628 -37.904 -91.7644 -35.6583 11.2035 -22.803 -94.1453 -19.3405 -23.3059 TIMING: 282800 CPU: 845.976, 0.0029696/step Wall: 845.976, 0.0029696/step, 3.89116 hours remaining, 206.359375 MB of memory in use. ENERGY: 282800 762.6056 2072.7238 1960.8098 125.4162 -206418.9179 18091.5488 0.0000 0.0000 34025.8653 -149379.9485 297.1563 -183405.8138 -149291.9022 299.4500 53.6084 91.8027 556625.3990 10.6421 10.5535 PRESSURE: 283000 -65.0385 92.967 -162.539 92.9668 2.73143 -28.7088 -162.538 -28.7075 -159.585 GPRESSURE: 283000 14.1374 107.909 -204.076 83.2479 -12.3216 -63.41 -107.273 -57.5265 -133.242 PRESSAVG: 283000 19.0357 2.94934 -15.2684 2.94946 25.1996 36.2819 -15.2683 36.282 -46.8702 GPRESSAVG: 283000 17.7859 2.96419 -16.6623 3.34581 25.0723 35.7872 -14.5784 35.6922 -46.2629 TIMING: 283000 CPU: 846.572, 0.00297716/step Wall: 846.572, 0.00297716/step, 3.90091 hours remaining, 206.359375 MB of memory in use. ENERGY: 283000 743.6374 2146.9218 1945.0440 106.9833 -206108.2162 17681.4055 0.0000 0.0000 34287.1227 -149197.1016 299.4380 -183484.2243 -149098.4579 299.8956 -73.9641 -43.8086 556364.4098 -0.8783 -1.1349 PRESSURE: 283200 -215.436 -58.5707 -113.937 -58.5709 -173.594 -57.4369 -113.937 -57.4371 -73.542 GPRESSURE: 283200 -209.689 -148.548 35.1994 -17.1246 -94.456 21.7369 -127.19 -11.7968 -69.7989 PRESSAVG: 283200 19.6636 52.8189 27.1841 52.8188 -30.1777 54.2252 27.1841 54.2255 33.8641 GPRESSAVG: 283200 19.7782 51.694 29.5647 50.8799 -28.7096 56.9446 26.4177 53.7889 32.8008 TIMING: 283200 CPU: 847.17, 0.00299313/step Wall: 847.17, 0.00299313/step, 3.92167 hours remaining, 206.359375 MB of memory in use. ENERGY: 283200 748.7689 2105.3381 1948.6195 113.3142 -206099.4422 17652.4476 0.0000 0.0000 34378.1458 -149152.8080 300.2329 -183530.9538 -149050.5399 299.5449 -154.1909 -124.6481 558552.2872 7.7834 7.9565 PRESSURE: 283400 182.644 -8.8146 -59.216 -8.81306 101.377 44.4657 -59.2157 44.4643 176.249 GPRESSURE: 283400 209.579 -1.04358 -26.8972 27.3702 178.435 107.172 -108.814 -5.75469 159.161 PRESSAVG: 283400 -9.29586 -12.4845 -1.3867 -12.4845 -30.8046 33.1369 -1.38668 33.137 -9.84978 GPRESSAVG: 283400 -8.29049 -11.2131 -3.19019 -11.5386 -32.9114 31.997 0.241548 33.3869 -8.82746 TIMING: 283400 CPU: 847.768, 0.00298718/step Wall: 847.768, 0.00298718/step, 3.9137 hours remaining, 206.359375 MB of memory in use. ENERGY: 283400 744.1810 2070.1277 1958.3205 107.0660 -206487.8588 18188.8573 0.0000 0.0000 34330.7002 -149088.6063 299.8185 -183419.3064 -148994.1134 299.3644 153.4235 182.3919 557484.8588 -16.6501 -16.6764 PRESSURE: 283600 -80.6991 -45.2182 100.465 -45.218 -27.7481 134.902 100.465 134.903 -202.298 GPRESSURE: 283600 -53.5592 -41.0405 75.9752 -19.7186 -76.6493 50.2312 105.568 86.1561 -88.4474 PRESSAVG: 283600 53.9791 17.356 -10.5031 17.356 -20.3306 7.37616 -10.5031 7.37621 15.2979 GPRESSAVG: 283600 53.3156 17.4189 -10.5317 16.1872 -20.2495 5.73145 -12.3514 9.1288 15.6721 TIMING: 283600 CPU: 848.37, 0.003012/step Wall: 848.37, 0.003012/step, 3.94606 hours remaining, 206.359375 MB of memory in use. ENERGY: 283600 776.0612 2083.9033 1946.6269 120.5753 -205880.4702 17819.9357 0.0000 0.0000 34180.3153 -148953.0526 298.5052 -183133.3679 -148858.4476 300.3514 -103.5818 -72.8853 559472.2178 16.3155 16.2461 PRESSURE: 283800 -230.55 -86.2246 -154.006 -86.2247 -0.634694 -86.4919 -154.006 -86.492 -42.1545 GPRESSURE: 283800 -224.648 -118.527 -204.232 -87.4967 38.4834 -78.1663 -171.576 -31.3787 18.69 PRESSAVG: 283800 3.86854 28.3041 -5.05746 28.3041 27.1016 -33.0717 -5.05744 -33.0716 -6.61485 GPRESSAVG: 283800 3.53467 27.8326 -5.62744 29.362 26.5394 -32.1424 -3.55982 -31.9193 -5.55681 TIMING: 283800 CPU: 848.972, 0.00300911/step Wall: 848.972, 0.00300911/step, 3.9421 hours remaining, 206.359375 MB of memory in use. ENERGY: 283800 745.4564 2142.5471 1935.7856 123.1547 -205988.4890 17889.0828 0.0000 0.0000 34376.5696 -148775.8929 300.2191 -183152.4624 -148679.6302 300.7404 -91.1129 -55.8249 558842.7720 8.1184 8.1724 PRESSURE: 284000 -175.606 86.8706 16.9352 86.8702 -189.355 -5.11602 16.9345 -5.11649 154.161 GPRESSURE: 284000 -72.3615 54.0667 -40.6383 85.3813 -161.257 88.9878 29.0729 20.0333 119.497 PRESSAVG: 284000 -10.9924 14.4408 -37.039 14.4408 17.9582 -17.8595 -37.039 -17.8594 -23.9601 GPRESSAVG: 284000 -10.6491 15.1044 -37.0097 13.2917 17.9509 -18.4145 -36.2892 -19.7435 -24.5017 TIMING: 284000 CPU: 849.572, 0.00300201/step Wall: 849.572, 0.00300201/step, 3.93263 hours remaining, 206.359375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 284000 776.7540 2078.1651 1962.7255 117.5084 -205802.7622 17782.0352 0.0000 0.0000 34487.9337 -148597.6402 301.1917 -183085.5739 -148502.7838 301.1093 -70.2667 -38.0406 559180.2235 -5.6648 -5.7333 PRESSURE: 284200 17.1781 -124.791 -98.9809 -124.79 -45.3493 -44.7995 -98.9827 -44.8017 -43.0868 GPRESSURE: 284200 -20.7161 -159.332 -124.588 -132.851 5.78132 -88.0029 -121.021 -94.6951 50.3029 PRESSAVG: 284200 -28.4256 -4.02628 -56.4496 -4.02617 7.60654 -34.4261 -56.4496 -34.4259 25.9955 GPRESSAVG: 284200 -29.5331 -4.92363 -57.4516 -2.95146 9.14256 -33.5775 -56.5757 -35.5615 25.3288 TIMING: 284200 CPU: 850.171, 0.00299043/step Wall: 850.171, 0.00299043/step, 3.9173 hours remaining, 206.359375 MB of memory in use. ENERGY: 284200 723.2427 2082.6491 1936.0735 120.1836 -205737.2177 17759.7546 0.0000 0.0000 34483.0227 -148632.2915 301.1488 -183115.3142 -148525.8065 301.0530 -23.7526 11.7894 559235.5287 1.7255 1.6461 LDB: ============= START OF LOAD BALANCING ============== 853.685 LDB: ============== END OF LOAD BALANCING =============== 853.686 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 853.687 LDB: ============= START OF LOAD BALANCING ============== 853.987 LDB: Largest compute 4773 load 0.032057 is 27.2% of average load 0.117852 LDB: Average compute 0.001727 is 1.5% of average load 0.117852 LDB: TIME 853.989 LOAD: AVG 0.117852 MAX 0.213562 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.207 MB LDB: TIME 853.99 LOAD: AVG 0.117852 MAX 0.213562 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.207 MB LDB: TIME 853.99 LOAD: AVG 0.117852 MAX 0.213562 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.207 MB LDB: ============== END OF LOAD BALANCING =============== 853.992 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 853.996 PRESSURE: 284400 30.7028 -75.0981 -5.21436 -75.0986 -4.20225 -30.1558 -5.21398 -30.1554 -9.99511 GPRESSURE: 284400 83.4418 -59.0822 45.3375 -24.7 63.2612 36.6492 -44.9936 -30.2113 -34.1437 PRESSAVG: 284400 23.6304 4.11301 -9.67847 4.11307 40.1036 6.41825 -9.67844 6.4181 -15.562 GPRESSAVG: 284400 24.4151 3.75239 -8.13301 3.53342 39.5492 6.54344 -10.9082 6.63102 -15.3871 TIMING: 284400 CPU: 850.78, 0.0030461/step Wall: 850.78, 0.0030461/step, 3.99005 hours remaining, 207.062500 MB of memory in use. ENERGY: 284400 756.6350 2065.1028 1955.9073 114.8127 -205675.4751 17795.6855 0.0000 0.0000 34362.6718 -148624.6601 300.0978 -182987.3319 -148527.1097 301.1101 5.5018 37.5197 558201.7260 16.0573 16.1924 PRESSURE: 284600 148.891 -24.8943 103.568 -24.8951 77.6999 123.795 103.57 123.796 -76.2332 GPRESSURE: 284600 149.566 -20.5049 66.897 -11.8658 94.5371 155.676 34.3914 93.591 -4.74147 PRESSAVG: 284600 46.4771 -40.4377 -23.1838 -40.4377 8.38471 24.9385 -23.1838 24.9385 -3.68869 GPRESSAVG: 284600 47.6268 -40.1696 -22.6464 -41.1219 8.99596 24.7709 -23.8977 25.1911 -5.33513 TIMING: 284600 CPU: 851.381, 0.00300633/step Wall: 851.381, 0.00300633/step, 3.9378 hours remaining, 207.132812 MB of memory in use. ENERGY: 284600 725.6340 2104.7835 1946.7908 98.2773 -205778.0361 17967.9171 0.0000 0.0000 34395.8805 -148538.7530 300.3878 -182934.6335 -148435.4926 301.2099 50.1192 79.7871 558763.1879 17.0577 17.0959 PRESSURE: 284800 130.407 79.4423 -129.755 79.4422 49.5113 -70.7701 -129.754 -70.7706 -195.319 GPRESSURE: 284800 88.0608 85.3637 -143.597 90.2794 70.187 -80.4221 -120.488 -143.334 -82.0537 PRESSAVG: 284800 -13.3754 19.1856 -26.9184 19.1857 -16.6176 -10.5701 -26.9184 -10.5699 -1.8002 GPRESSAVG: 284800 -14.8204 19.5224 -25.868 19.7794 -16.9745 -10.3648 -24.9216 -12.4948 -0.781302 TIMING: 284800 CPU: 851.981, 0.00300001/step Wall: 851.981, 0.00300001/step, 3.92935 hours remaining, 207.132812 MB of memory in use. ENERGY: 284800 769.3749 2077.5797 1918.6863 100.5287 -205481.9456 17573.9339 0.0000 0.0000 34432.0177 -148609.8244 300.7034 -183041.8421 -148511.0091 300.9033 -5.1337 25.3980 559842.3878 -10.5977 -10.8587 PRESSURE: 285000 -24.9164 -67.4822 -21.7604 -67.482 -301.96 65.3414 -21.7609 65.3395 -138.867 GPRESSURE: 285000 58.902 -35.6064 37.0105 -177.686 -290.626 110.053 -79.5411 9.77308 -135.441 PRESSAVG: 285000 9.42632 39.144 -10.9415 39.144 29.9519 -9.98584 -10.9416 -9.98577 -63.1917 GPRESSAVG: 285000 10.4338 38.1919 -11.8097 39.4834 29.1534 -10.6309 -13.052 -7.97216 -63.0203 TIMING: 285000 CPU: 852.581, 0.00300069/step Wall: 852.581, 0.00300069/step, 3.93007 hours remaining, 207.132812 MB of memory in use. ENERGY: 285000 778.5679 2092.6277 1931.6566 107.8194 -205755.7642 17630.4534 0.0000 0.0000 34402.5766 -148812.0627 300.4463 -183214.6393 -148716.1039 299.9685 -155.2478 -122.3884 559050.7399 -7.9378 -7.8110 PRESSURE: 285200 -233.33 -23.5317 -68.5565 -23.5313 -138.782 148.591 -68.5571 148.592 111.087 GPRESSURE: 285200 -209.019 -18.846 -92.0558 -34.2112 -114.809 64.7899 -52.1283 228.063 149.659 PRESSAVG: 285200 -31.2801 36.0715 -45.1834 36.0715 -49.0984 31.4812 -45.1834 31.4811 78.0395 GPRESSAVG: 285200 -31.7549 36.4493 -44.7769 34.8694 -49.6095 30.7633 -42.5279 33.3109 79.1195 TIMING: 285200 CPU: 853.181, 0.00300176/step Wall: 853.181, 0.00300176/step, 3.9313 hours remaining, 207.132812 MB of memory in use. ENERGY: 285200 791.1239 2140.3423 1940.5968 113.3342 -205742.5132 17721.1316 0.0000 0.0000 34301.1892 -148734.7952 299.5608 -183035.9844 -148641.4324 300.2559 -87.0083 -58.0564 558223.6596 -0.7796 -0.7483 PRESSURE: 285400 -53.9592 19.5723 68.8922 19.5713 345.718 -107.33 68.8914 -107.33 265.294 GPRESSURE: 285400 -0.119456 -0.533387 61.7531 12.9052 328.065 -24.4934 36.7687 -94.3758 320.45 PRESSAVG: 285400 -33.0278 26.5109 6.98228 26.511 16.6836 1.70627 6.98222 1.70628 63.4908 GPRESSAVG: 285400 -31.7485 26.9325 7.83121 27.227 17.2476 1.98304 3.79851 0.809351 61.4228 TIMING: 285400 CPU: 853.786, 0.0030217/step Wall: 853.786, 0.0030217/step, 3.95725 hours remaining, 207.132812 MB of memory in use. ENERGY: 285400 727.2170 2067.2448 1952.2733 115.3261 -206337.2710 18156.0036 0.0000 0.0000 34598.6231 -148720.5830 302.1584 -183319.2061 -148615.7057 300.8091 185.6841 216.1319 558478.4300 15.7156 15.6406 PRESSURE: 285600 145.676 116.867 193.635 116.867 22.8208 -59.1424 193.635 -59.1424 -56.4922 GPRESSURE: 285600 171.489 84.1133 267.428 199.241 101.449 -74.5263 118.562 9.63677 -65.4778 PRESSAVG: 285600 -45.1736 -67.7237 55.8018 -67.7237 43.1603 -14.4096 55.8018 -14.4096 25.5191 GPRESSAVG: 285600 -47.0517 -69.0825 55.1041 -66.6672 43.9334 -12.8101 57.4419 -14.5905 26.101 TIMING: 285600 CPU: 854.386, 0.00299939/step Wall: 854.386, 0.00299939/step, 3.92786 hours remaining, 207.132812 MB of memory in use. ENERGY: 285600 718.6676 2068.3451 1933.5115 110.3060 -205747.0448 17742.7751 0.0000 0.0000 34433.5050 -148739.9344 300.7164 -183173.4394 -148649.2430 300.9562 37.3348 69.1533 559014.9904 7.8353 7.6609 PRESSURE: 285800 -404.446 -118.313 -40.5009 -118.313 -211.756 -71.7479 -40.5023 -71.7488 -342.897 GPRESSURE: 285800 -366.068 -153.78 -94.037 -18.485 -206.225 -150.502 -67.5513 -174.312 -302.58 PRESSAVG: 285800 32.5735 6.18316 -35.397 6.18321 -38.0067 -11.0872 -35.397 -11.0873 29.0499 GPRESSAVG: 285800 32.2913 8.2792 -36.1964 6.07141 -38.0839 -13.351 -35.03 -11.3441 29.2361 TIMING: 285800 CPU: 854.993, 0.00303894/step Wall: 854.993, 0.00303894/step, 3.97949 hours remaining, 207.132812 MB of memory in use. ENERGY: 285800 762.7240 2037.7139 1950.1088 120.8745 -205434.4940 17261.0802 0.0000 0.0000 34360.9408 -148941.0517 300.0826 -183301.9926 -148842.8217 300.4329 -319.6997 -291.6244 559181.0160 7.8722 7.8145 PRESSURE: 286000 -66.6565 -50.4689 -104.614 -50.4685 -307.325 109.031 -104.614 109.031 224.769 GPRESSURE: 286000 -63.2411 -51.8996 6.33593 -79.3822 -255.193 45.7573 -110.812 133.318 256.684 PRESSAVG: 286000 -24.9586 -39.6305 -2.53653 -39.6305 15.9511 -2.10616 -2.53652 -2.10623 7.03525 GPRESSAVG: 286000 -25.3532 -41.3435 -0.998657 -40.645 15.8564 -0.762676 -4.06668 -1.88839 7.77547 TIMING: 286000 CPU: 855.595, 0.00300609/step Wall: 855.595, 0.00300609/step, 3.93631 hours remaining, 207.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 286000 759.6039 2092.0065 1946.8617 118.3822 -205829.0401 17601.1477 0.0000 0.0000 34446.4889 -148864.5493 300.8298 -183311.0381 -148762.0977 299.8415 -49.7373 -20.5834 558734.6087 -0.6574 -0.5738 PRESSURE: 286200 -240.54 -121.427 83.3684 -121.428 -81.7702 115.498 83.369 115.498 -60.5499 GPRESSURE: 286200 -283.394 -79.7954 -97.941 -17.6596 25.4869 54.0641 219.454 163.784 -20.6806 PRESSAVG: 286200 -47.9308 25.5203 -68.892 25.5202 -35.1601 -21.9409 -68.8921 -21.9409 63.1291 GPRESSAVG: 286200 -47.1765 26.0007 -69.7718 24.6698 -35.6013 -23.1488 -67.4561 -23.524 62.9563 TIMING: 286200 CPU: 856.192, 0.00298762/step Wall: 856.192, 0.00298762/step, 3.91196 hours remaining, 207.132812 MB of memory in use. ENERGY: 286200 735.9439 2084.0815 1953.0856 111.8614 -205933.4253 17861.5440 0.0000 0.0000 34226.1376 -148960.7713 298.9054 -183186.9089 -148866.7508 299.9183 -127.6201 -92.8626 559010.9380 -6.6539 -6.6071 PRESSURE: 286400 -66.7429 11.074 46.9934 11.0734 93.5355 -72.979 46.9928 -72.9782 143.287 GPRESSURE: 286400 -50.3143 1.2031 -17.0884 12.5998 108.104 -62.8389 55.3505 -102.684 193.722 PRESSAVG: 286400 -25.4136 2.18974 28.1634 2.18972 -47.6554 3.52679 28.1634 3.52677 74.2634 GPRESSAVG: 286400 -25.3796 2.42317 29.4308 1.34132 -48.6352 4.14233 27.0358 5.57247 74.8113 TIMING: 286400 CPU: 856.793, 0.00300187/step Wall: 856.793, 0.00300187/step, 3.93045 hours remaining, 207.132812 MB of memory in use. ENERGY: 286400 704.3107 2094.4686 1964.5576 106.0093 -206231.6098 17863.9508 0.0000 0.0000 34255.2716 -149243.0411 299.1598 -183498.3127 -149148.0092 299.8778 56.6932 83.8373 557597.2047 0.3981 0.2655 PRESSURE: 286600 97.8373 -67.8329 -36.1631 -67.8328 -8.65082 170.458 -36.1627 170.459 -68.918 GPRESSURE: 286600 143.442 44.4347 -98.8158 -131.295 30.1135 100.861 -32.2057 268.934 -67.7781 PRESSAVG: 286600 6.84826 -39.566 37.6077 -39.5661 -52.8617 17.8392 37.6077 17.8392 73.7347 GPRESSAVG: 286600 6.68527 -38.3967 37.1214 -38.3702 -50.7117 18.3161 38.5427 16.5258 72.3423 TIMING: 286600 CPU: 857.392, 0.00299744/step Wall: 857.392, 0.00299744/step, 3.92449 hours remaining, 207.132812 MB of memory in use. ENERGY: 286600 732.3223 2068.1849 1971.6731 112.7479 -206438.4907 17928.0091 0.0000 0.0000 34387.0786 -149238.4748 300.3109 -183625.5534 -149137.1238 299.8500 6.7562 35.2593 557843.6192 9.2404 9.4386 PRESSURE: 286800 -225.451 -143.057 -43.0497 -143.058 -196.838 -46.6569 -43.0503 -46.6575 -166.576 GPRESSURE: 286800 -184.247 -159.524 93.0472 -237.47 -194.209 8.05 -15.8974 -47.8286 -117.034 PRESSAVG: 286800 -21.1691 -15.208 1.88422 -15.208 -35.0657 -43.2071 1.88427 -43.2071 14.476 GPRESSAVG: 286800 -20.1991 -17.3909 1.81543 -14.184 -35.1193 -42.812 1.54406 -42.9085 14.7918 TIMING: 286800 CPU: 857.99, 0.00298909/step Wall: 857.99, 0.00298909/step, 3.91339 hours remaining, 207.132812 MB of memory in use. ENERGY: 286800 763.8818 2067.4551 1965.2397 111.5776 -205922.6365 17442.7736 0.0000 0.0000 34351.9125 -149219.7962 300.0038 -183571.7087 -149118.9859 299.2920 -196.2884 -165.1632 558971.3209 -13.9196 -13.5089 PRESSURE: 287000 -53.9545 171.575 72.4676 171.575 -113.145 -42.8316 72.47 -42.8317 -191.87 GPRESSURE: 287000 -70.0272 143.709 18.5954 170.078 -127.642 -159.13 95.5317 26.2283 -64.1992 PRESSAVG: 287000 20.6256 17.6437 5.97856 17.6436 4.69032 -13.6562 5.97844 -13.6563 11.6866 GPRESSAVG: 287000 20.3313 17.4375 4.18873 17.6313 4.87347 -11.9013 8.34031 -16.1157 11.561 TIMING: 287000 CPU: 858.587, 0.00298656/step Wall: 858.587, 0.00298656/step, 3.9099 hours remaining, 207.132812 MB of memory in use. ENERGY: 287000 733.8351 2058.4834 1983.0300 122.9089 -206002.0081 17539.9507 0.0000 0.0000 34216.2362 -149347.5640 298.8189 -183563.8001 -149251.4986 298.7886 -119.6564 -87.2895 557733.2967 12.3342 12.2552 PRESSURE: 287200 182.058 72.3788 -182.411 72.3788 -78.2332 55.3564 -182.412 55.357 -35.9505 GPRESSURE: 287200 225.368 51.2397 -103.385 36.1901 -45.5951 -21.014 -252.155 -10.2094 -5.78773 PRESSAVG: 287200 -24.7844 -9.70133 19.1243 -9.70134 47.0993 -40.4272 19.1242 -40.4273 -8.71135 GPRESSAVG: 287200 -24.715 -8.07236 21.7182 -10.7032 46.8719 -41.5433 16.1934 -37.7646 -8.78536 TIMING: 287200 CPU: 859.188, 0.00300142/step Wall: 859.188, 0.00300142/step, 3.92919 hours remaining, 207.132812 MB of memory in use. ENERGY: 287200 737.7560 2113.2584 1972.4309 114.3454 -206042.0539 17705.9898 0.0000 0.0000 34143.5702 -149254.7031 298.1843 -183398.2733 -149157.2100 298.3919 22.6247 57.9950 556925.0678 4.5345 4.4572 PRESSURE: 287400 116.004 -117.179 165.709 -117.18 198.349 14.5187 165.707 14.5179 -80.1918 GPRESSURE: 287400 183.7 -148.274 83.3034 -143.555 207.855 -28.7467 201.321 10.1564 -54.7614 PRESSAVG: 287400 29.1882 2.67462 -0.350555 2.67458 -38.2809 53.9997 -0.350607 53.9997 -11.6197 GPRESSAVG: 287400 29.165 2.53332 -2.83293 2.93296 -37.6415 54.2143 1.97319 52.5061 -12.3804 TIMING: 287400 CPU: 859.789, 0.00300636/step Wall: 859.789, 0.00300636/step, 3.93549 hours remaining, 207.132812 MB of memory in use. ENERGY: 287400 761.0114 2077.0080 1955.8093 113.7159 -206567.6727 18012.6268 0.0000 0.0000 34286.6374 -149360.8640 299.4337 -183647.5013 -149261.9712 298.5669 78.0539 112.2647 555229.8967 -6.9042 -6.9523 PRESSURE: 287600 -0.0460719 -1.87805 49.5781 -1.87805 64.5716 115.603 49.5781 115.603 -21.9943 GPRESSURE: 287600 108.181 140.039 47.404 -15.6847 60.6602 71.2476 123.73 103.31 -34.1122 PRESSAVG: 287600 -30.712 -1.62802 -17.3878 -1.62801 10.1165 42.9085 -17.3879 42.9084 -12.261 GPRESSAVG: 287600 -30.2941 -2.74735 -16.0607 -0.198468 8.7839 42.9653 -18.3302 43.9962 -10.9359 TIMING: 287600 CPU: 860.388, 0.00299378/step Wall: 860.388, 0.00299378/step, 3.91885 hours remaining, 207.132812 MB of memory in use. ENERGY: 287600 691.3050 2084.4815 1956.0457 106.2995 -206118.4735 17667.4856 0.0000 0.0000 34258.6793 -149354.1769 299.1896 -183612.8562 -149252.6676 299.0384 14.1771 44.9097 556264.0610 -10.9522 -10.8154 PRESSURE: 287800 235.989 -115.565 -13.7236 -115.565 158.846 -18.2821 -13.723 -18.2816 22.1044 GPRESSURE: 287800 316 -131.019 52.4817 -80.207 146.163 32.4277 -73.6482 26.2154 47.3586 PRESSAVG: 287800 -33.7342 -52.2455 31.6318 -52.2455 -0.790737 -25.1926 31.6318 -25.1925 34.3099 GPRESSAVG: 287800 -33.5641 -50.9031 30.6134 -55.0416 -2.1839 -25.8774 31.6894 -24.4982 34.4327 TIMING: 287800 CPU: 860.991, 0.00301703/step Wall: 860.991, 0.00301703/step, 3.94912 hours remaining, 207.132812 MB of memory in use. ENERGY: 287800 752.7340 2069.7026 1938.7827 121.9666 -206365.4905 18054.3691 0.0000 0.0000 34173.0100 -149254.9253 298.4414 -183427.9354 -149156.0786 299.2970 138.9799 169.8406 556891.6593 -0.0717 -0.4384 PRESSURE: 288000 -158.217 113.874 224.415 113.875 136.289 60.7736 224.414 60.7723 -150.442 GPRESSURE: 288000 -103.686 176.98 248.697 1.97325 203.301 -62.6029 198.744 148.228 -175.676 PRESSAVG: 288000 -22.2767 29.9047 73.6761 29.9047 22.5719 -16.0243 73.6761 -16.0242 50.0356 GPRESSAVG: 288000 -24.0872 28.4368 73.5603 32.8733 23.8257 -17.1087 75.0874 -16.8696 50.3019 TIMING: 288000 CPU: 861.595, 0.0030222/step Wall: 861.595, 0.0030222/step, 3.95572 hours remaining, 207.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 288000 753.8417 2091.4439 1930.1019 108.3766 -206115.1902 17765.4545 0.0000 0.0000 34169.2447 -149296.7269 298.4085 -183465.9717 -149195.3661 299.0154 -57.4565 -25.3536 556623.2279 16.7769 16.6801 PRESSURE: 288200 -156.76 138.063 -48.9249 138.064 -227.918 22.2252 -48.9251 22.2257 -170.985 GPRESSURE: 288200 -125.682 195.918 30.9449 117.593 -154.897 -33.1427 -21.1047 41.2855 -180.674 PRESSAVG: 288200 -11.5354 0.178499 11.9582 0.178458 -29.8295 59.5695 11.9581 59.5694 -10.3127 GPRESSAVG: 288200 -10.2562 1.02003 11.1571 0.148527 -29.9677 59.4289 10.6866 61.8684 -11.3978 TIMING: 288200 CPU: 862.194, 0.00299208/step Wall: 862.194, 0.00299208/step, 3.91613 hours remaining, 207.132812 MB of memory in use. ENERGY: 288200 791.0109 2073.4802 1959.5339 118.1927 -206096.4140 17637.7101 0.0000 0.0000 34267.4712 -149249.0149 299.2663 -183516.4861 -149147.6427 297.9739 -185.2210 -153.7512 558453.7772 -17.2259 -17.2072 LDB: ============= START OF LOAD BALANCING ============== 865.709 LDB: ============== END OF LOAD BALANCING =============== 865.709 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 865.711 LDB: ============= START OF LOAD BALANCING ============== 866.008 LDB: Largest compute 4773 load 0.033644 is 28.6% of average load 0.117784 LDB: Average compute 0.001746 is 1.5% of average load 0.117784 LDB: TIME 866.011 LOAD: AVG 0.117784 MAX 0.210696 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.008 MB LDB: TIME 866.011 LOAD: AVG 0.117784 MAX 0.210696 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.066 MB LDB: TIME 866.011 LOAD: AVG 0.117784 MAX 0.210696 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.066 MB LDB: ============== END OF LOAD BALANCING =============== 866.013 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 866.017 PRESSURE: 288400 172.624 73.1855 -124.843 73.185 -16.628 99.4789 -124.843 99.4785 -214.337 GPRESSURE: 288400 186.443 53.6193 -87.8914 76.8558 10.1672 118.346 -138.908 57.0267 -165.912 PRESSAVG: 288400 -14.6007 37.4845 25.1495 37.4845 -12.3236 24.6574 25.1495 24.6574 -25.1047 GPRESSAVG: 288400 -14.8847 40.963 26.4201 34.5895 -12.3375 24.952 23.9311 23.3461 -25.3031 TIMING: 288400 CPU: 862.8, 0.00303299/step Wall: 862.8, 0.00303299/step, 3.96951 hours remaining, 204.695312 MB of memory in use. ENERGY: 288400 745.3694 2059.0225 1965.9004 125.4209 -206257.5156 17912.0591 0.0000 0.0000 34165.6385 -149284.1048 298.3770 -183449.7433 -149188.0239 298.7468 -19.4467 10.2327 559141.9651 -17.3430 -17.5084 PRESSURE: 288600 373.709 33.7783 41.2039 33.7783 48.9448 -99.6364 41.2043 -99.6351 -67.7137 GPRESSURE: 288600 375.335 -26.9644 107.413 136.36 29.3522 -137.347 -20.2551 -25.8133 54.4924 PRESSAVG: 288600 -33.4933 9.44199 35.9734 9.44205 17.6451 -4.80839 35.9734 -4.80833 -18.6141 GPRESSAVG: 288600 -31.956 4.54407 35.6666 14.0719 16.7879 -3.28816 35.9823 -5.45102 -19.169 TIMING: 288600 CPU: 863.398, 0.00298722/step Wall: 863.398, 0.00298722/step, 3.90945 hours remaining, 204.765625 MB of memory in use. ENERGY: 288600 739.7021 2031.3470 1947.2137 118.7779 -206165.5237 17970.7470 0.0000 0.0000 33995.8904 -149361.8456 296.8946 -183357.7360 -149260.0723 298.6845 118.3134 153.0599 556596.2929 -11.4875 -11.4457 PRESSURE: 288800 -20.4175 140.101 45.4849 140.101 115.873 63.4078 45.4847 63.4082 159.471 GPRESSURE: 288800 40.9158 133.738 77.3701 203.352 138.123 13.049 37.5255 89.6734 161.545 PRESSAVG: 288800 7.73574 55.0921 22.5501 55.0921 32.2618 -9.32694 22.5501 -9.3269 -40.9808 GPRESSAVG: 288800 6.75449 57.2486 25.1788 53.3592 31.6393 -8.74045 21.4176 -11.2799 -39.4364 TIMING: 288800 CPU: 863.994, 0.00298256/step Wall: 863.994, 0.00298256/step, 3.90318 hours remaining, 204.765625 MB of memory in use. ENERGY: 288800 751.5114 2049.7068 1922.5553 112.3917 -206666.1610 18157.3311 0.0000 0.0000 34500.3251 -149172.3395 301.2999 -183672.6647 -149075.8828 299.5508 84.9755 113.5281 558674.0842 -0.3277 -0.3475 PRESSURE: 289000 -299.664 103.253 59.4609 103.254 -10.838 -1.40613 59.4597 -1.40566 -58.0363 GPRESSURE: 289000 -301.782 113.942 53.0692 60.3676 1.58339 -16.2031 -53.8899 -17.398 27.4575 PRESSAVG: 289000 -92.0145 12.1497 -20.2225 12.1497 53.7604 9.66684 -20.2225 9.66683 -46.2256 GPRESSAVG: 289000 -91.976 11.9931 -22.3224 12.1447 53.9976 7.62055 -18.0395 11.5564 -45.7581 TIMING: 289000 CPU: 864.591, 0.00298553/step Wall: 864.591, 0.00298553/step, 3.90689 hours remaining, 204.804688 MB of memory in use. ENERGY: 289000 748.3017 2065.3777 1920.7946 111.5297 -205906.1729 17788.6211 0.0000 0.0000 34195.0704 -149076.4778 298.6341 -183271.5481 -148983.7951 299.1221 -122.8461 -90.9136 558373.4708 -28.1599 -27.9122 PRESSURE: 289200 156.561 107.155 -20.9177 107.155 93.3414 145.408 -20.9185 145.41 145.049 GPRESSURE: 289200 188.08 71.1348 55.7583 107.081 73.4965 91.8321 31.4191 171.733 233.624 PRESSAVG: 289200 -2.84506 1.91324 -33.383 1.91315 9.8322 -30.8615 -33.383 -30.8615 38.1347 GPRESSAVG: 289200 -3.7891 0.471758 -34.5292 2.96646 10.6907 -31.8157 -34.7847 -30.5444 37.89 TIMING: 289200 CPU: 865.188, 0.00298495/step Wall: 865.188, 0.00298495/step, 3.90597 hours remaining, 204.804688 MB of memory in use. ENERGY: 289200 750.3275 2029.4689 1952.6677 106.6042 -206138.1405 18026.2716 0.0000 0.0000 34280.7386 -148992.0619 299.3822 -183272.8005 -148892.4365 299.8604 131.6506 165.0667 557682.9106 15.0406 14.9305 PRESSURE: 289400 -226.76 -38.7251 -116.125 -38.7256 -27.4866 10.6079 -116.124 10.6062 133.414 GPRESSURE: 289400 -209.776 -27.9692 -76.2316 -47.3908 73.5818 -29.4363 -92.9918 69.2522 115.83 PRESSAVG: 289400 -7.23113 63.9901 -23.444 63.99 -6.14102 6.36124 -23.4441 6.36128 31.0966 GPRESSAVG: 289400 -7.09582 66.101 -23.3259 62.6394 -6.68816 8.16399 -23.2415 4.97784 31.0399 TIMING: 289400 CPU: 865.79, 0.00300611/step Wall: 865.79, 0.00300611/step, 3.9335 hours remaining, 204.804688 MB of memory in use. ENERGY: 289400 719.7716 2043.5433 1946.9254 115.7676 -205615.2011 17646.7370 0.0000 0.0000 34271.3508 -148871.1054 299.3002 -183142.4561 -148770.9871 299.7764 -40.2775 -6.7880 557897.1438 5.9081 5.7520 PRESSURE: 289600 -78.1907 -93.2103 -66.6661 -93.2103 68.5466 62.1566 -66.6673 62.156 -136.634 GPRESSURE: 289600 -65.3004 -129.289 -85.9207 -140.258 81.1872 32.3123 -62.3679 58.8379 -67.1663 PRESSAVG: 289600 77.0438 39.3775 -41.9907 39.3775 -31.5047 -81.0112 -41.9908 -81.0113 -12.4911 GPRESSAVG: 289600 77.0936 38.0082 -42.1219 37.0804 -31.4803 -80.2962 -41.6376 -79.9512 -13.1612 TIMING: 289600 CPU: 866.389, 0.00299688/step Wall: 866.389, 0.00299688/step, 3.92125 hours remaining, 204.804688 MB of memory in use. ENERGY: 289600 716.0403 2078.5521 1958.0001 113.8364 -205914.7894 17745.4846 0.0000 0.0000 34358.4218 -148944.4541 300.0606 -183302.8759 -148849.7005 299.9647 -48.7595 -17.0932 559559.3867 11.0160 10.8174 PRESSURE: 289800 35.4756 -9.70463 -18.2145 -9.70612 -86.5965 -49.9279 -18.2151 -49.9286 -233.234 GPRESSURE: 289800 28.9621 -31.7251 65.4404 -17.9491 -11.485 -132.528 -51.7848 -1.40108 -199.017 PRESSAVG: 289800 7.49104 32.3638 -14.1178 32.3638 -35.3068 -14.5762 -14.1178 -14.5763 -4.96781 GPRESSAVG: 289800 6.40561 31.4398 -12.1191 34.0678 -35.2022 -15.8252 -14.6106 -14.5759 -3.87676 TIMING: 289800 CPU: 866.989, 0.00299808/step Wall: 866.989, 0.00299808/step, 3.92266 hours remaining, 204.804688 MB of memory in use. ENERGY: 289800 711.9783 2103.8659 1945.3961 120.0473 -205769.5460 17643.6816 0.0000 0.0000 34342.2377 -148902.3391 299.9193 -183244.5769 -148804.8840 299.7256 -94.7850 -60.5134 558925.7050 -10.9279 -10.8911 PRESSURE: 290000 143.4 26.2082 3.724 26.2081 8.99609 52.0922 3.72526 52.0922 160.596 GPRESSURE: 290000 134.597 41.4809 -36.4749 104.388 49.1296 63.6726 43.6062 67.162 214.553 PRESSAVG: 290000 23.9656 24.2777 -2.25977 24.2776 24.7554 -28.079 -2.25976 -28.079 -25.5793 GPRESSAVG: 290000 24.4068 25.2161 -4.58111 23.6617 24.4593 -28.5581 0.623847 -28.2689 -25.4354 TIMING: 290000 CPU: 867.592, 0.00301712/step Wall: 867.592, 0.00301712/step, 3.9474 hours remaining, 204.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 290000 735.5250 2082.0202 1956.9831 111.3106 -206147.1271 17766.7465 0.0000 0.0000 34383.0884 -149111.4534 300.2761 -183494.5418 -149016.9437 299.1134 104.3307 132.7598 557263.4753 7.7139 7.8102 PRESSURE: 290200 -21.6323 42.9989 1.67695 42.9998 89.3477 -73.0338 1.67769 -73.0339 -73.5717 GPRESSURE: 290200 -27.1287 42.9986 43.4829 33.4192 133.641 -56.6839 18.3802 -79.9051 -15.8052 PRESSAVG: 290200 11.6962 16.4268 -24.0668 16.4268 54.0582 -25.5244 -24.0668 -25.5244 -46.5949 GPRESSAVG: 290200 11.8801 15.202 -22.5821 18.3965 54.9825 -24.2766 -26.4538 -25.5686 -47.5484 TIMING: 290200 CPU: 868.197, 0.00302242/step Wall: 868.197, 0.00302242/step, 3.95417 hours remaining, 204.804688 MB of memory in use. ENERGY: 290200 718.6363 2094.1146 1942.0968 99.1247 -206073.1687 17647.6394 0.0000 0.0000 34328.9925 -149242.5643 299.8036 -183571.5569 -149145.1444 299.1358 -1.9521 30.2357 556361.0525 6.3865 6.4380 PRESSURE: 290400 25.0203 -32.8952 -24.1611 -32.8955 -177.672 120.044 -24.1605 120.042 -45.663 GPRESSURE: 290400 -4.14614 -68.85 20.8565 -42.8947 -104.333 149.658 29.3299 89.3123 4.89253 PRESSAVG: 290400 44.4975 10.5837 37.4097 10.5837 -21.6761 -0.0849279 37.4099 -0.0849948 -27.2625 GPRESSAVG: 290400 45.2437 12.1599 37.0558 9.4683 -23.2613 -0.0903552 38.9374 -2.32254 -26.5213 TIMING: 290400 CPU: 868.794, 0.00298811/step Wall: 868.794, 0.00298811/step, 3.90911 hours remaining, 204.804688 MB of memory in use. ENERGY: 290400 750.8867 2117.4145 1941.0551 127.7238 -206004.1232 17693.0808 0.0000 0.0000 34051.7480 -149322.2142 297.3824 -183373.9622 -149229.3833 298.8353 -66.1049 -34.5289 556384.7529 -1.4804 -1.5130 PRESSURE: 290600 82.2876 -18.5284 -99.9258 -18.529 76.4969 117.33 -99.9262 117.33 26.4001 GPRESSURE: 290600 124.063 17.3721 -47.9135 14.4088 75.3542 61.3996 -86.7766 112.959 84.6567 PRESSAVG: 290600 81.8082 -48.5321 -9.8282 -48.5321 -24.2913 44.16 -9.82826 44.1599 -65.4709 GPRESSAVG: 290600 81.2462 -49.568 -8.15026 -49.0309 -22.7582 43.8658 -11.5021 44.9452 -66.6044 TIMING: 290600 CPU: 869.388, 0.00297015/step Wall: 869.388, 0.00297015/step, 3.88545 hours remaining, 204.804688 MB of memory in use. ENERGY: 290600 749.4150 2074.7796 1958.6053 101.7717 -206152.4563 17783.6776 0.0000 0.0000 34475.2251 -149008.9820 301.0807 -183484.2071 -148915.7032 299.8064 61.7282 94.6913 556443.4246 -2.6513 -2.7054 PRESSURE: 290800 78.3841 99.2703 121.862 99.2699 -68.0932 -0.627903 121.863 -0.629086 72.6597 GPRESSURE: 290800 108.114 181.31 115.781 105.903 -32.9199 -78.639 109.12 -6.26212 101.148 PRESSAVG: 290800 43.1343 -12.8521 45.5356 -12.8521 38.461 12.6626 45.5356 12.6627 -43.3087 GPRESSAVG: 290800 41.4592 -13.5756 42.6459 -11.1198 38.6125 13.3636 47.2688 10.5822 -42.8449 TIMING: 290800 CPU: 869.985, 0.00298401/step Wall: 869.985, 0.00298401/step, 3.90341 hours remaining, 204.804688 MB of memory in use. ENERGY: 290800 766.9790 2121.3611 1924.6537 111.5644 -205977.1770 17680.5514 0.0000 0.0000 34338.6700 -149033.3974 299.8881 -183372.0673 -148941.6558 300.3159 27.6502 58.7806 554882.8710 12.7622 12.4089 PRESSURE: 291000 242.77 -183.551 -113.854 -183.552 18.2141 -6.89388 -113.854 -6.8949 27.3569 GPRESSURE: 291000 320.901 -118.189 -111.239 -194.846 44.0521 -64.7759 -152.939 82.0868 18.565 PRESSAVG: 291000 8.5692 -9.68709 -32.4568 -9.68727 5.83211 7.55957 -32.4568 7.55968 -13.5482 GPRESSAVG: 291000 9.32096 -7.06335 -29.8827 -10.5364 4.19099 6.5753 -34.4471 9.89041 -12.1098 TIMING: 291000 CPU: 870.586, 0.00300568/step Wall: 870.586, 0.00300568/step, 3.9316 hours remaining, 204.804688 MB of memory in use. ENERGY: 291000 735.6292 2036.3476 1969.6793 115.3647 -206161.9542 17828.2480 0.0000 0.0000 34266.1634 -149210.5219 299.2549 -183476.6853 -149112.0104 300.0908 96.1138 127.8393 555584.7328 0.2844 0.4674 PRESSURE: 291200 -17.3982 -25.316 206.593 -25.3157 -20.8576 -26.8383 206.592 -26.8376 162.314 GPRESSURE: 291200 20.5163 -87.1462 270.191 -17.2327 24.2269 -68.1837 208.008 52.0908 167.804 PRESSAVG: 291200 8.51398 -24.7323 12.2863 -24.7323 -9.57659 -43.4637 12.2864 -43.4636 37.0202 GPRESSAVG: 291200 8.58902 -24.249 11.5651 -26.1138 -8.61756 -42.4275 12.2546 -43.0666 36.165 TIMING: 291200 CPU: 871.193, 0.003032/step Wall: 871.193, 0.003032/step, 3.96586 hours remaining, 204.804688 MB of memory in use. ENERGY: 291200 761.3563 2134.6581 1923.2435 114.3979 -206351.5607 17875.6405 0.0000 0.0000 34370.5062 -149171.7581 300.1662 -183542.2644 -149081.7512 299.7526 41.3529 70.8492 556233.2194 11.9859 12.0455 PRESSURE: 291400 58.814 203.33 15.3303 203.328 -21.421 -22.136 15.3302 -22.1358 58.8787 GPRESSURE: 291400 14.3205 224.245 51.3882 136.502 72.8874 11.9341 -0.459278 -68.4782 102.632 PRESSAVG: 291400 -63.6803 2.94937 -13.4192 2.94939 19.0101 -36.3636 -13.4191 -36.3636 -9.58299 GPRESSAVG: 291400 -64.7949 -1.6099 -13.8371 2.20101 19.2839 -36.5448 -12.3771 -36.4981 -9.03116 TIMING: 291400 CPU: 871.798, 0.00302882/step Wall: 871.798, 0.00302882/step, 3.96153 hours remaining, 204.804688 MB of memory in use. ENERGY: 291400 721.9008 2103.1248 1920.8225 124.6985 -206390.5294 17859.9101 0.0000 0.0000 34387.9593 -149272.1133 300.3186 -183660.0726 -149166.4199 299.9492 32.0906 63.2798 557015.2600 -18.0844 -18.1807 PRESSURE: 291600 -235.644 -57.7482 -53.1764 -57.7486 65.3624 65.2713 -53.177 65.2703 -19.1483 GPRESSURE: 291600 -228.343 23.8889 -76.6278 -129.877 122.975 57.028 -130.196 89.9981 14.9355 PRESSAVG: 291600 -1.15869 14.273 -26.2582 14.273 -15.8691 -2.52665 -26.2583 -2.5266 4.55328 GPRESSAVG: 291600 -0.537078 16.3555 -26.2748 14.7433 -16.1575 -3.22662 -24.6454 -2.78814 4.83261 TIMING: 291600 CPU: 872.398, 0.00299913/step Wall: 872.398, 0.00299913/step, 3.92253 hours remaining, 204.804688 MB of memory in use. ENERGY: 291600 750.1403 2129.0129 1984.6132 132.1644 -206280.1555 17775.7230 0.0000 0.0000 34190.7084 -149317.7932 298.5960 -183508.5016 -149225.8859 299.4641 -63.1432 -30.1440 557987.4357 -4.1582 -3.9540 PRESSURE: 291800 -130.447 256.404 41.1987 256.405 161.487 2.28368 41.1999 2.28297 161.043 GPRESSURE: 291800 -52.3956 177.263 89.6557 237.889 181.34 -24.1054 36.6419 -14.9183 165.775 PRESSAVG: 291800 -35.1694 6.79729 -36.0274 6.79722 40.8611 23.5257 -36.0273 23.5257 2.87611 GPRESSAVG: 291800 -34.3397 8.7394 -36.5363 5.86974 40.6446 24.6019 -38.853 21.5096 2.18915 TIMING: 291800 CPU: 872.999, 0.00300479/step Wall: 872.999, 0.00300479/step, 3.92977 hours remaining, 204.804688 MB of memory in use. ENERGY: 291800 749.1126 2105.9573 1967.2762 116.9449 -206406.8911 17908.1627 0.0000 0.0000 34142.8541 -149416.5833 298.1780 -183559.4374 -149314.7117 298.3798 64.0278 98.2399 556212.1401 2.8559 2.8314 PRESSURE: 292000 378.988 79.1094 -87.0699 79.1085 -94.1461 -104.426 -87.0699 -104.426 -142.28 GPRESSURE: 292000 359.846 147.566 -19.6139 118.365 -19.7904 -59.2833 -157.253 -104.528 -102.719 PRESSAVG: 292000 63.9244 -3.10197 -13.9936 -3.1019 13.2966 -47.7724 -13.9935 -47.7723 -63.0607 GPRESSAVG: 292000 63.8938 -6.14044 -14.6721 -1.33921 14.3497 -49.8339 -12.1479 -42.8087 -63.7892 TIMING: 292000 CPU: 873.598, 0.00299675/step Wall: 873.598, 0.00299675/step, 3.91908 hours remaining, 204.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 292000 747.5123 2175.6574 1960.7119 115.2671 -206507.5558 17859.8079 0.0000 0.0000 34202.2703 -149446.3288 298.6969 -183648.5990 -149354.9674 299.1677 47.5205 79.1122 557036.4722 4.7201 4.8181 PRESSURE: 292200 49.1014 55.8079 45.3496 55.8085 -114.916 57.7899 45.3481 57.7901 -291.359 GPRESSURE: 292200 91.8384 97.4298 68.3821 64.8486 -88.272 14.3788 24.3084 68.7785 -262.903 PRESSAVG: 292200 -19.3319 -8.21174 -11.1458 -8.21167 32.6024 22.1351 -11.1459 22.1351 -19.5095 GPRESSAVG: 292200 -19.641 -7.66783 -10.0896 -8.76244 31.9111 23.3953 -11.8976 19.9938 -18.1463 TIMING: 292200 CPU: 874.194, 0.00297689/step Wall: 874.194, 0.00297689/step, 3.89294 hours remaining, 204.804688 MB of memory in use. ENERGY: 292200 788.0255 2034.9244 1950.1324 103.2413 -206148.8707 17851.7516 0.0000 0.0000 34078.6819 -149342.1134 297.6176 -183420.7954 -149244.9942 299.7064 -119.0579 -86.4455 558843.5702 -2.0797 -1.9587 LDB: ============= START OF LOAD BALANCING ============== 877.711 LDB: ============== END OF LOAD BALANCING =============== 877.711 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 877.713 LDB: ============= START OF LOAD BALANCING ============== 878.014 LDB: Largest compute 4773 load 0.031448 is 26.7% of average load 0.117816 LDB: Average compute 0.001741 is 1.5% of average load 0.117816 LDB: TIME 878.016 LOAD: AVG 0.117816 MAX 0.212117 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.773 MB LDB: TIME 878.017 LOAD: AVG 0.117816 MAX 0.212117 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.773 MB LDB: TIME 878.017 LOAD: AVG 0.117816 MAX 0.212117 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.773 MB LDB: ============== END OF LOAD BALANCING =============== 878.019 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 878.023 PRESSURE: 292400 50.1967 -10.4806 114.02 -10.4802 131.954 -41.0804 114.02 -41.0806 -69.8132 GPRESSURE: 292400 62.1128 -11.0276 150.689 -19.766 142.818 -50.0468 69.7074 -71.2429 6.6364 PRESSAVG: 292400 -15.1273 -17.252 7.62867 -17.2521 13.0627 -16.0944 7.62873 -16.0943 2.60783 GPRESSAVG: 292400 -16.448 -15.7363 7.53814 -16.8939 13.4749 -15.6397 6.96057 -15.1351 2.82002 TIMING: 292400 CPU: 874.806, 0.00306232/step Wall: 874.806, 0.00306232/step, 4.00449 hours remaining, 205.324219 MB of memory in use. ENERGY: 292400 743.0819 2138.4726 1940.0534 122.0558 -206676.9022 17980.3119 0.0000 0.0000 34230.7310 -149522.1957 298.9455 -183752.9267 -149427.0290 298.7708 37.4458 70.5224 557010.8829 0.1811 -0.0510 PRESSURE: 292600 -40.8547 85.7434 70.0591 85.7423 33.8148 58.6745 70.0595 58.6737 114.818 GPRESSURE: 292600 -10.7922 125.259 64.2061 101.67 80.6991 21.561 -42.3508 57.1382 139.25 PRESSAVG: 292600 -32.8478 8.67188 -10.8755 8.67195 55.9961 47.1466 -10.8754 47.1466 -56.6077 GPRESSAVG: 292600 -30.9204 10.2663 -9.96825 6.07744 55.7681 45.1275 -10.6361 45.747 -58.0822 TIMING: 292600 CPU: 875.406, 0.00299933/step Wall: 875.406, 0.00299933/step, 3.92196 hours remaining, 205.332031 MB of memory in use. ENERGY: 292600 748.4741 2111.6572 1929.7208 95.9010 -206411.2907 17870.8521 0.0000 0.0000 34270.3974 -149384.2881 299.2919 -183654.6855 -149287.5564 299.2127 35.9259 69.7191 555517.5501 -11.1531 -11.0781 PRESSURE: 292800 -68.7201 16.055 -108.746 16.0561 -20.1832 44.5577 -108.745 44.5566 90.6538 GPRESSURE: 292800 -34.422 -17.3529 -150.428 -20.5922 -31.7097 94.0633 -42.3754 -11.6833 148.954 PRESSAVG: 292800 25.2684 -3.78743 -1.21291 -3.78747 4.25323 -10.0687 -1.21286 -10.0687 -45.3826 GPRESSAVG: 292800 25.1411 -6.86206 -1.89807 -1.51887 3.55038 -9.12101 0.228944 -9.48114 -44.8787 TIMING: 292800 CPU: 876.005, 0.00299511/step Wall: 876.005, 0.00299511/step, 3.91628 hours remaining, 205.332031 MB of memory in use. ENERGY: 292800 729.9565 2167.2988 1960.0508 118.3024 -206423.6980 17764.1208 0.0000 0.0000 34158.1679 -149525.8009 298.3118 -183683.9688 -149437.3981 298.2639 0.5835 27.6073 556882.1966 -5.2870 -5.3957 PRESSURE: 293000 -208.471 35.9952 -39.3133 35.9942 53.9145 47.1304 -39.3141 47.1294 -17.3705 GPRESSURE: 293000 -260.287 -12.6319 -11.4987 24.584 137.648 119.859 -36.0209 55.0991 23.892 PRESSAVG: 293000 -41.0817 -18.3485 48.8716 -18.3486 64.3533 12.2471 48.8716 12.2472 25.7881 GPRESSAVG: 293000 -40.7969 -18.6409 48.9438 -17.5339 64.6548 12.837 49.7678 11.5439 24.649 TIMING: 293000 CPU: 876.607, 0.00300877/step Wall: 876.607, 0.00300877/step, 3.93396 hours remaining, 205.332031 MB of memory in use. ENERGY: 293000 767.5962 2154.0357 1944.7872 116.0156 -206244.7313 17724.8395 0.0000 0.0000 34139.7030 -149397.7541 298.1505 -183537.4571 -149301.9836 298.8298 -57.3090 -32.9157 556382.9131 16.3532 16.1689 PRESSURE: 293200 -210.149 74.4628 -116.063 74.462 105.586 29.5666 -116.063 29.5662 14.6221 GPRESSURE: 293200 -155.349 114.846 -127.236 45.0958 149.091 37.0108 -110.77 24.1956 -6.43678 PRESSAVG: 293200 -68.5829 27.2638 59.7525 27.2639 70.9474 10.1479 59.7525 10.1478 -20.4239 GPRESSAVG: 293200 -68.1593 29.7695 57.8322 24.777 70.324 10.1275 59.7516 10.1872 -19.9316 TIMING: 293200 CPU: 877.209, 0.0030118/step Wall: 877.209, 0.0030118/step, 3.93777 hours remaining, 205.332031 MB of memory in use. ENERGY: 293200 770.8719 2157.5914 1931.1605 117.5718 -206144.7935 17679.2503 0.0000 0.0000 34247.1219 -149241.2258 299.0886 -183488.3477 -149146.9829 298.8522 -29.9803 -4.2317 556079.3847 -6.0198 -5.9223 PRESSURE: 293400 65.4776 -107.782 12.467 -107.782 211.998 -31.3362 12.4674 -31.3364 -135.449 GPRESSURE: 293400 111.671 -194.796 21.571 -39.0515 245.317 38.9432 118.127 -49.6704 -116.159 PRESSAVG: 293400 -56.981 -16.4732 21.0006 -16.4732 51.0694 0.648618 21.0006 0.648477 -16.5239 GPRESSAVG: 293400 -57.9121 -17.7825 21.7368 -15.1069 52.5995 0.18789 19.6131 2.63081 -17.1676 TIMING: 293400 CPU: 877.809, 0.00299682/step Wall: 877.809, 0.00299682/step, 3.91801 hours remaining, 205.332031 MB of memory in use. ENERGY: 293400 747.6711 2123.0538 1926.2671 102.3935 -206558.1323 18100.5547 0.0000 0.0000 34385.2140 -149172.9780 300.2946 -183558.1921 -149079.3896 300.1358 47.3425 80.2762 557463.4241 -7.4785 -7.4934 PRESSURE: 293600 145.814 110.951 199.446 110.95 43.3442 -87.1343 199.446 -87.1348 -61.2985 GPRESSURE: 293600 140.079 113.279 228.52 61.4313 55.172 -88.9221 134.438 -113.007 29.6892 PRESSAVG: 293600 56.774 7.20931 26.2543 7.20934 16.3039 13.8877 26.2542 13.8878 -18.1019 GPRESSAVG: 293600 56.4632 5.89428 27.1082 7.03335 16.5887 16.1185 26.5214 10.1578 -17.7219 TIMING: 293600 CPU: 878.413, 0.00302001/step Wall: 878.413, 0.00302002/step, 3.94817 hours remaining, 205.371094 MB of memory in use. ENERGY: 293600 745.4441 2153.7656 1933.8575 101.2072 -206682.1941 18090.0944 0.0000 0.0000 34366.1670 -149291.6583 300.1283 -183657.8253 -149199.7019 299.1255 42.6200 74.9800 557834.5306 18.3253 18.4433 PRESSURE: 293800 -99.1029 20.7246 6.10549 20.7254 -183.14 -139.805 6.10515 -139.803 96.9286 GPRESSURE: 293800 -90.1183 -49.9176 41.455 33.3979 -181.807 -94.6694 -50.1377 -41.348 185.185 PRESSAVG: 293800 -23.6159 -7.77146 4.00234 -7.77144 -37.3728 -29.846 4.00223 -29.846 83.9506 GPRESSAVG: 293800 -22.2089 -6.7508 5.17543 -6.5039 -38.4265 -32.2876 2.70078 -27.1027 84.0164 TIMING: 293800 CPU: 879.019, 0.00303308/step Wall: 879.019, 0.00303308/step, 3.96508 hours remaining, 205.371094 MB of memory in use. ENERGY: 293800 727.4079 2115.6997 1936.3294 102.0905 -205962.1429 17636.2681 0.0000 0.0000 34127.0772 -149317.2702 298.0403 -183444.3474 -149221.3829 298.5842 -61.7713 -28.9136 558731.5070 7.6539 7.7937 PRESSURE: 294000 116.804 -107.994 -77.9441 -107.992 223.239 47.1086 -77.9449 47.1108 247.974 GPRESSURE: 294000 139.945 -125.804 -31.0949 17.574 296.033 38.8662 -102.51 158.32 236.102 PRESSAVG: 294000 7.97411 -16.096 -6.79332 -16.096 -20.9285 -39.7272 -6.79326 -39.7272 44.2006 GPRESSAVG: 294000 9.15665 -15.6005 -8.68314 -15.6087 -20.9914 -36.4918 -5.55172 -41.9102 43.5711 TIMING: 294000 CPU: 879.631, 0.00306019/step Wall: 879.631, 0.00306019/step, 4.00034 hours remaining, 205.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 294000 760.0701 2033.3055 1920.8775 112.1302 -206643.4838 18117.2268 0.0000 0.0000 34363.3694 -149336.5044 300.1039 -183699.8738 -149247.2780 298.3242 196.0059 224.0264 557293.7695 10.4154 10.5788 PRESSURE: 294200 81.623 69.0743 -97.1888 69.0752 130.287 100.862 -97.1886 100.861 -171.24 GPRESSURE: 294200 147.274 122.055 -146.372 54.2869 104.221 54.794 -70.2884 201.449 -127.126 PRESSAVG: 294200 33.9093 -31.7168 39.1745 -31.7167 -37.9052 36.2171 39.1745 36.217 13.3929 GPRESSAVG: 294200 30.7049 -32.9705 39.4244 -33.1471 -37.269 35.2073 38.9101 37.2715 15.2224 TIMING: 294200 CPU: 880.242, 0.00305193/step Wall: 880.242, 0.00305193/step, 3.98938 hours remaining, 205.371094 MB of memory in use. ENERGY: 294200 738.8050 2124.6475 1903.4868 115.6992 -206658.3409 17955.8414 0.0000 0.0000 34451.8836 -149367.9775 300.8769 -183819.8611 -149268.4328 299.0042 13.5565 41.4562 557107.4828 3.1323 2.8861 PRESSURE: 294400 191.926 93.319 -71.7343 93.3179 -125.329 -0.114599 -71.7339 -0.115345 10.295 GPRESSURE: 294400 241.271 76.5565 1.19083 104.644 -65.1412 10.7547 -109.567 41.8897 -2.81058 PRESSAVG: 294400 90.4043 73.8513 47.2793 73.8513 -52.4916 20.5639 47.2792 20.5639 -12.6373 GPRESSAVG: 294400 92.9775 75.6477 47.8596 73.0832 -53.3507 19.6296 46.0867 17.3332 -14.73 TIMING: 294400 CPU: 880.855, 0.00306632/step Wall: 880.855, 0.00306632/step, 4.00802 hours remaining, 205.371094 MB of memory in use. ENERGY: 294400 754.8289 2130.2302 1938.3501 102.0269 -206581.1646 18033.8504 0.0000 0.0000 34223.7479 -149398.1302 298.8845 -183621.8781 -149299.1893 298.9234 25.6304 57.7732 557473.2588 8.4252 8.2989 PRESSURE: 294600 -100.729 15.5665 -150.024 15.567 -4.74122 -26.3674 -150.025 -26.3675 133.89 GPRESSURE: 294600 -7.26683 16.6172 -215.44 38.6474 12.4046 -15.7558 -64.974 -67.7407 138.647 PRESSAVG: 294600 51.5469 16.8091 24.023 16.8092 -45.3217 -29.1571 24.0231 -29.157 -15.8626 GPRESSAVG: 294600 50.5616 15.6574 23.8804 18.3574 -43.9241 -29.2982 24.5553 -26.4124 -15.9387 TIMING: 294600 CPU: 881.462, 0.00303259/step Wall: 881.462, 0.00303259/step, 3.96377 hours remaining, 205.371094 MB of memory in use. ENERGY: 294600 692.0622 2079.1629 1917.8917 109.7839 -206213.0388 17823.7621 0.0000 0.0000 34089.9294 -149500.4466 297.7158 -183590.3760 -149403.3857 298.1161 9.4730 47.9283 556519.0964 -3.2125 -3.1004 PRESSURE: 294800 -155.044 -113.672 34.2722 -113.672 15.8858 199.126 34.2714 199.124 -45.7828 GPRESSURE: 294800 -48.392 -170.452 -95.8441 -21.3756 32.8537 134.451 128.573 181.906 -78.1574 PRESSAVG: 294800 46.3604 47.1725 -25.607 47.1725 -34.9189 -34.2955 -25.6069 -34.2956 -21.9251 GPRESSAVG: 294800 47.6967 47.9412 -25.8625 45.62 -37.5927 -38.1376 -24.9791 -31.1687 -20.8163 TIMING: 294800 CPU: 882.067, 0.00302809/step Wall: 882.067, 0.00302809/step, 3.95771 hours remaining, 205.371094 MB of memory in use. ENERGY: 294800 707.8361 2153.2871 1922.7655 104.9625 -206106.5973 17704.1256 0.0000 0.0000 33937.1014 -149576.5190 296.3811 -183513.6205 -149483.3458 298.3635 -61.6470 -31.2319 557962.3867 -3.4945 -3.5708 PRESSURE: 295000 -61.6599 71.1434 -49.8482 71.1439 -30.7759 -38.4825 -49.8488 -38.4812 87.5492 GPRESSURE: 295000 -45.2192 81.3398 -24.3899 32.0313 30.592 -65.9926 12.1504 -33.9031 107.832 PRESSAVG: 295000 16.5574 -15.5007 -74.7742 -15.5007 9.39487 17.134 -74.7742 17.134 -54.4774 GPRESSAVG: 295000 14.2647 -16.8004 -72.9529 -13.6445 12.6573 20.2675 -74.6459 15.3274 -55.204 TIMING: 295000 CPU: 882.672, 0.0030221/step Wall: 882.672, 0.0030221/step, 3.94972 hours remaining, 205.371094 MB of memory in use. ENERGY: 295000 716.5936 2066.8271 1907.6463 103.9930 -206095.9242 17790.6662 0.0000 0.0000 34051.1115 -149459.0865 297.3768 -183510.1979 -149361.8509 298.0785 -1.6289 31.0683 556911.5501 -9.5084 -9.4274 PRESSURE: 295200 84.07 60.165 -67.8003 60.1655 68.6817 124.498 -67.7989 124.498 142.133 GPRESSURE: 295200 80.7357 97.3702 -8.57858 110.253 113.134 133.255 -148.457 152.676 188.291 PRESSAVG: 295200 50.2314 27.4264 -46.4028 27.4265 -22.5415 -44.594 -46.4028 -44.594 -22.5339 GPRESSAVG: 295200 51.2121 28.8823 -47.0503 27.2704 -23.4317 -45.6254 -45.4433 -43.4088 -22.8714 TIMING: 295200 CPU: 883.278, 0.00303272/step Wall: 883.278, 0.00303272/step, 3.96343 hours remaining, 205.371094 MB of memory in use. ENERGY: 295200 732.0806 2037.5976 1917.6955 130.9298 -206550.5013 18044.6445 0.0000 0.0000 34281.0513 -149406.5021 299.3849 -183687.5534 -149311.0216 298.3396 98.2948 127.3867 556090.8534 1.7186 1.6363 PRESSURE: 295400 -98.6304 35.0182 124.194 35.0172 44.3478 -303.814 124.194 -303.813 -40.3919 GPRESSURE: 295400 -76.0101 125.209 169.072 115.128 50.4686 -277.821 52.698 -324.234 29.4376 PRESSAVG: 295400 8.01883 -4.84301 44.3409 -4.84303 -6.0207 -45.3198 44.341 -45.3199 -16.8247 GPRESSAVG: 295400 8.26447 -5.40262 43.4756 -6.34364 -7.11831 -45.5313 44.4076 -44.5564 -15.714 TIMING: 295400 CPU: 883.885, 0.0030343/step Wall: 883.885, 0.0030343/step, 3.96533 hours remaining, 205.371094 MB of memory in use. ENERGY: 295400 782.2680 2078.9744 1938.1883 116.3000 -206476.5261 17938.0357 0.0000 0.0000 34277.6965 -149345.0632 299.3556 -183622.7597 -149255.0316 299.7487 -31.5582 1.2987 556770.2335 -4.9422 -4.8559 PRESSURE: 295600 52.6179 41.4141 107.168 41.413 -77.1683 -76.4623 107.168 -76.4642 -79.0595 GPRESSURE: 295600 71.4332 20.1342 42.018 59.9206 -58.245 6.0727 125.967 -65.1883 -16.496 PRESSAVG: 295600 21.617 -58.3759 38.3054 -58.3759 30.9744 -92.7348 38.3054 -92.7348 -67.3858 GPRESSAVG: 295600 21.5869 -57.8429 39.9589 -56.5928 30.89 -87.6224 37.9769 -95.8726 -67.7497 TIMING: 295600 CPU: 884.49, 0.00302533/step Wall: 884.49, 0.00302533/step, 3.95343 hours remaining, 205.371094 MB of memory in use. ENERGY: 295600 744.7590 2105.1019 1946.1138 110.3648 -205972.5475 17653.6411 0.0000 0.0000 34082.5130 -149330.0538 297.6511 -183412.5668 -149239.2519 299.1312 -34.5366 -1.1026 558223.2104 -4.9314 -5.0909 PRESSURE: 295800 272.121 -29.5612 11.8301 -29.5617 266.867 -14.9797 11.8302 -14.9803 367.116 GPRESSURE: 295800 312.543 65.5911 37.9702 -98.8078 314.053 -44.2994 -50.1466 13.1834 366.797 PRESSAVG: 295800 26.6228 -2.73757 53.3879 -2.73757 -6.09676 -84.3113 53.3878 -84.3112 -27.0386 GPRESSAVG: 295800 26.4522 -2.95863 51.7373 -3.38241 -5.87119 -86.8696 53.5182 -83.4307 -26.2676 TIMING: 295800 CPU: 885.093, 0.00301489/step Wall: 885.093, 0.00301489/step, 3.93962 hours remaining, 205.371094 MB of memory in use. ENERGY: 295800 752.9302 2055.4189 1962.6682 123.6839 -206833.6042 18241.9540 0.0000 0.0000 34303.0073 -149393.9418 299.5767 -183696.9491 -149296.0208 299.3133 302.0343 331.1313 556282.0959 -2.1708 -1.8955 PRESSURE: 296000 65.3756 -10.9106 0.587053 -10.9112 -72.8051 44.1356 0.586279 44.1343 50.6381 GPRESSURE: 296000 49.545 13.3917 96.7227 4.29358 3.84112 31.4002 11.568 -8.09374 86.23 PRESSAVG: 296000 -39.7039 -1.89482 2.44455 -1.89484 29.861 7.99882 2.44461 7.99882 4.09435 GPRESSAVG: 296000 -40.1502 -2.40878 4.3154 -4.31071 30.4917 6.06549 1.16275 8.71764 3.3042 TIMING: 296000 CPU: 885.701, 0.00304154/step Wall: 885.701, 0.00304154/step, 3.97428 hours remaining, 205.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 296000 740.0961 2102.7664 1948.6182 119.4935 -206769.9102 18018.8271 0.0000 0.0000 34228.9899 -149611.1191 298.9303 -183840.1090 -149510.0877 298.8801 14.4028 46.5387 556609.5428 -1.9162 -2.1181 PRESSURE: 296200 46.4002 4.83192 -106.842 4.83254 412.782 59.8393 -106.842 59.8386 -112.933 GPRESSURE: 296200 87.3699 -28.698 -146.229 53.4983 397.846 68.2988 -158.203 24.9473 -43.3845 PRESSAVG: 296200 12.2499 1.20834 30.252 1.20837 -25.2787 -45.5149 30.252 -45.5149 -12.8009 GPRESSAVG: 296200 12.2871 0.144967 30.9913 2.55468 -25.6179 -44.7949 29.7241 -47.2804 -12.6544 TIMING: 296200 CPU: 886.304, 0.00301218/step Wall: 886.304, 0.00301218/step, 3.93574 hours remaining, 205.371094 MB of memory in use. ENERGY: 296200 738.8792 2070.9221 1953.6044 111.3157 -206332.3936 17935.2023 0.0000 0.0000 34085.0376 -149437.4324 297.6731 -183522.4699 -149342.0301 298.5948 115.4162 147.2772 555842.8402 -8.6099 -8.6617 LDB: ============= START OF LOAD BALANCING ============== 889.823 LDB: ============== END OF LOAD BALANCING =============== 889.823 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 889.824 LDB: ============= START OF LOAD BALANCING ============== 890.129 LDB: Largest compute 4773 load 0.032814 is 27.9% of average load 0.117735 LDB: Average compute 0.001737 is 1.5% of average load 0.117735 LDB: TIME 890.131 LOAD: AVG 0.117735 MAX 0.214669 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.316 MB LDB: TIME 890.131 LOAD: AVG 0.117735 MAX 0.214669 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.52 MB LDB: TIME 890.132 LOAD: AVG 0.117735 MAX 0.214669 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.52 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 890.133 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 890.137 PRESSURE: 296400 -303.339 -142.84 20.2472 -142.842 156.856 -128.908 20.2462 -128.908 -88.5937 GPRESSURE: 296400 -304.44 -181.962 -1.13292 -163.63 163.019 -243.052 17.7337 -92.4783 -4.40094 PRESSAVG: 296400 -15.4875 -1.56193 25.7331 -1.56198 39.2653 36.2971 25.7331 36.2971 21.1687 GPRESSAVG: 296400 -15.4591 0.904214 24.0055 -1.13883 38.9562 36.9384 27.8803 36.0205 20.8013 TIMING: 296400 CPU: 886.921, 0.0030864/step Wall: 886.921, 0.0030864/step, 4.03255 hours remaining, 206.148438 MB of memory in use. ENERGY: 296400 761.1541 2100.3343 1937.1653 132.1839 -206278.5562 17683.3493 0.0000 0.0000 34249.9041 -149414.4651 299.1129 -183664.3693 -149319.0852 298.0953 -78.3590 -48.6074 556810.3627 14.9822 14.7661 PRESSURE: 296600 -13.4606 60.0208 75.3375 60.0213 -42.1818 -17.6094 75.3378 -17.6082 -337.103 GPRESSURE: 296600 9.41682 62.8263 98.9286 47.751 77.8992 -6.00843 166.773 -59.3092 -370.73 PRESSAVG: 296600 -20.6397 7.89496 29.409 7.89489 21.2633 -5.31889 29.409 -5.31886 22.9741 GPRESSAVG: 296600 -20.1067 6.56705 31.2051 8.79714 21.1784 -6.02282 29.3306 -4.9799 22.6794 TIMING: 296600 CPU: 887.531, 0.00305005/step Wall: 887.531, 0.00305005/step, 3.98489 hours remaining, 206.148438 MB of memory in use. ENERGY: 296600 754.8813 2107.6340 1964.5748 117.6689 -206187.7381 17760.2533 0.0000 0.0000 34025.3813 -149457.3445 297.1521 -183482.7258 -149362.7249 298.7021 -130.9151 -94.4714 558452.0283 7.8659 7.9170 PRESSURE: 296800 87.3974 -99.997 -114.848 -99.9966 135.155 -155.717 -114.847 -155.718 129.086 GPRESSURE: 296800 75.55 -117.265 -150.392 -92.1936 154.106 -91.6873 -81.8762 -258.683 215.207 PRESSAVG: 296800 -46.176 34.1417 9.0576 34.1417 -42.6546 18.1712 9.05783 18.1713 25.8006 GPRESSAVG: 296800 -46.1413 34.3744 9.12547 33.8731 -42.3116 18.1891 8.22577 18.3449 25.0034 TIMING: 296800 CPU: 888.135, 0.00302179/step Wall: 888.135, 0.00302179/step, 3.9478 hours remaining, 206.148438 MB of memory in use. ENERGY: 296800 759.5271 2140.6901 1942.4721 124.9171 -206600.3424 18045.9783 0.0000 0.0000 34264.4208 -149322.3369 299.2397 -183586.7577 -149221.2766 299.4993 117.2127 148.2875 556944.1175 -21.0100 -21.1498 PRESSURE: 297000 -184.21 -9.4537 -18.6856 -9.4545 -246.967 4.59042 -18.6862 4.59082 -253.718 GPRESSURE: 297000 -152.367 -43.4517 22.72 -8.40163 -223.004 7.44629 82.5399 92.0179 -221.894 PRESSAVG: 297000 -57.371 33.8705 2.05629 33.8705 69.3361 -25.2678 2.05625 -25.2679 32.8953 GPRESSAVG: 297000 -58.6442 33.3427 0.668644 34.3018 68.5392 -27.3434 1.92555 -22.4844 34.6893 TIMING: 297000 CPU: 888.743, 0.00303748/step Wall: 888.743, 0.00303748/step, 3.96812 hours remaining, 206.148438 MB of memory in use. ENERGY: 297000 758.9143 2139.6803 1951.4202 111.8769 -206178.5785 17573.1002 0.0000 0.0000 34324.4490 -149319.1376 299.7640 -183643.5866 -149221.1397 299.9116 -228.2984 -199.0884 559900.8100 14.9535 14.8614 PRESSURE: 297200 192.389 16.8947 75.8528 16.8954 -190.197 68.3172 75.8518 68.3179 -112.188 GPRESSURE: 297200 201.638 46.7239 162.466 71.5548 -95.8354 122.984 55.0052 102.117 -112.069 PRESSAVG: 297200 13.5863 60.511 -18.3942 60.5111 86.2124 38.2519 -18.3943 38.252 -98.6501 GPRESSAVG: 297200 14.3895 60.1685 -16.1795 60.7573 86.2205 40.7819 -19.5429 34.6258 -99.1821 TIMING: 297200 CPU: 889.349, 0.00303028/step Wall: 889.349, 0.00303028/step, 3.95856 hours remaining, 206.148438 MB of memory in use. ENERGY: 297200 734.8822 2091.5605 1969.1007 124.6137 -206269.5230 17770.6955 0.0000 0.0000 34396.8066 -149181.8637 300.3959 -183578.6703 -149087.7476 299.3760 -36.6654 -2.0889 557222.0574 0.3829 0.4760 PRESSURE: 297400 193.34 -11.769 -10.9141 -11.767 -108.308 -142.404 -10.9139 -142.403 -69.1063 GPRESSURE: 297400 163.28 45.979 -19.7557 38.6306 -5.61518 -149.863 -24.4418 -119.509 -45.2428 PRESSAVG: 297400 -76.2055 -12.1503 32.1024 -12.1502 75.635 -4.16821 32.1024 -4.16832 20.5257 GPRESSAVG: 297400 -77.6948 -11.2883 32.1599 -13.3607 76.5934 -4.7634 32.1364 -1.61646 20.6277 TIMING: 297400 CPU: 889.957, 0.00304176/step Wall: 889.957, 0.00304176/step, 3.97339 hours remaining, 206.148438 MB of memory in use. ENERGY: 297400 716.1339 2011.0204 1936.8667 110.2034 -206063.0706 17649.8073 0.0000 0.0000 34449.4049 -149189.6340 300.8552 -183639.0388 -149101.8782 299.8303 5.3086 37.4740 557327.2383 6.6517 6.5088 PRESSURE: 297600 -93.2848 105.993 41.1751 105.993 105.856 -33.3525 41.1752 -33.3519 103.506 GPRESSURE: 297600 -46.8626 18.2945 111.253 145.464 129.747 -21.7896 -61.3455 -86.7932 145.704 PRESSAVG: 297600 -53.4921 -10.172 -20.3757 -10.1721 78.3087 34.7618 -20.3757 34.7617 -27.8825 GPRESSAVG: 297600 -52.6647 -11.2274 -21.8493 -9.0283 77.8854 33.8499 -20.4111 34.5856 -28.7442 TIMING: 297600 CPU: 890.564, 0.00303492/step Wall: 890.564, 0.00303492/step, 3.96428 hours remaining, 206.148438 MB of memory in use. ENERGY: 297600 748.5981 2102.8462 1919.3746 93.7746 -205992.0953 17864.7882 0.0000 0.0000 33965.2540 -149297.4596 296.6270 -183262.7136 -149201.9667 298.8698 38.6923 76.1960 557427.2122 -1.0220 -1.1745 PRESSURE: 297800 -143.191 63.6027 108.136 63.6025 51.123 -37.9585 108.136 -37.9585 -192.083 GPRESSURE: 297800 -75.6909 115.057 48.2184 36.0177 67.0038 53.1129 169.164 -42.8563 -169.79 PRESSAVG: 297800 10.3407 -16.356 -26.7881 -16.356 2.17215 0.500422 -26.7881 0.500495 -17.2476 GPRESSAVG: 297800 9.32867 -15.0273 -27.0807 -16.2657 2.46751 1.86621 -25.3482 -2.08604 -16.9436 TIMING: 297800 CPU: 891.169, 0.00302203/step Wall: 891.169, 0.00302203/step, 3.94727 hours remaining, 206.148438 MB of memory in use. ENERGY: 297800 725.3860 2063.8635 1912.1454 113.5246 -205876.0083 17624.0695 0.0000 0.0000 34204.7260 -149232.2932 298.7184 -183437.0192 -149136.8050 298.4780 -94.7168 -59.4923 558499.3458 -1.5782 -1.7158 PRESSURE: 298000 217.847 -187.591 279.966 -187.589 127.779 80.1709 279.967 80.1713 45.2681 GPRESSURE: 298000 269.165 -231.908 269.376 -179.322 125.717 27.4097 272.697 45.2475 102.813 PRESSAVG: 298000 91.8197 -16.1135 1.57908 -16.1134 26.6131 27.2813 1.57902 27.2814 -76.3777 GPRESSAVG: 298000 92.479 -15.8364 2.38396 -17.7533 25.5141 27.2457 1.21139 26.6615 -76.0335 TIMING: 298000 CPU: 891.772, 0.00301607/step Wall: 891.772, 0.00301607/step, 3.93933 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: 298000 693.7742 2040.9142 1920.7295 127.8874 -206250.6884 18021.5260 0.0000 0.0000 34088.4626 -149357.3945 297.7030 -183445.8571 -149261.5602 298.5946 130.2981 165.8983 557266.7993 14.0184 13.9865 PRESSURE: 298200 -279.902 104.578 48.3667 104.579 151.067 -97.1809 48.3662 -97.1813 80.1601 GPRESSURE: 298200 -259.296 140.202 40.4396 -12.7006 205.715 -26.4246 35.7736 -44.5632 97.8886 PRESSAVG: 298200 -31.031 -66.5296 -7.80551 -66.5297 69.5377 7.52862 -7.80558 7.52858 -45.8278 GPRESSAVG: 298200 -31.2519 -67.5304 -9.11281 -65.8146 71.1619 4.75894 -6.88763 10.9355 -46.683 TIMING: 298200 CPU: 892.381, 0.00304728/step Wall: 892.381, 0.00304728/step, 3.97992 hours remaining, 206.148438 MB of memory in use. ENERGY: 298200 741.9254 2082.5669 1937.0088 113.6442 -206362.3886 17870.2211 0.0000 0.0000 34135.2014 -149481.8208 298.1112 -183617.0222 -149381.6646 298.2448 -16.2247 14.7693 557604.4990 -2.4404 -2.2577 PRESSURE: 298400 224.871 22.1273 -153.943 22.1264 304.337 153.599 -153.943 153.599 -35.3814 GPRESSURE: 298400 235.088 48.8049 -183.39 24.59 354.604 150.192 -120.428 109.286 -3.93733 PRESSAVG: 298400 12.9999 -37.7741 7.898 -37.7741 44.0119 37.2936 7.89795 37.2936 -68.2627 GPRESSAVG: 298400 12.7628 -39.715 8.73798 -37.1398 42.6124 40.6332 5.75947 33.9102 -66.6786 TIMING: 298400 CPU: 892.99, 0.00304298/step Wall: 892.99, 0.00304298/step, 3.97414 hours remaining, 206.148438 MB of memory in use. ENERGY: 298400 740.8972 2083.5313 1933.2338 102.1928 -206590.2579 18041.1294 0.0000 0.0000 34194.1875 -149495.0860 298.6263 -183689.2735 -149404.8351 298.0303 164.6087 195.2517 557936.8143 -3.7503 -3.7678 PRESSURE: 298600 93.5794 28.7339 75.7316 28.7332 41.6328 49.292 75.7333 49.2919 -84.7814 GPRESSURE: 298600 158.476 -28.5083 44.7621 90.2603 60.7379 135.399 64.4833 87.2685 -68.702 PRESSAVG: 298600 -4.99977 -16.3297 33.5973 -16.3297 10.5335 47.2057 33.5973 47.2058 -6.76245 GPRESSAVG: 298600 -5.18367 -13.3149 32.1348 -15.6817 11.7698 46.2906 34.8971 49.7584 -7.52694 TIMING: 298600 CPU: 893.598, 0.00304178/step Wall: 893.598, 0.00304178/step, 3.9724 hours remaining, 206.148438 MB of memory in use. ENERGY: 298600 727.1272 2066.9901 1922.1613 111.8092 -206570.1633 17933.0657 0.0000 0.0000 34187.5189 -149621.4908 298.5681 -183809.0097 -149529.6211 297.9904 16.8103 50.1705 557448.9061 -0.4096 -0.3136 PRESSURE: 298800 42.4223 -132.743 -3.30955 -132.743 191.194 17.0528 -3.31 17.0535 66.3691 GPRESSURE: 298800 112.467 -113.264 -17.2187 -190.19 230.32 37.4932 53.6126 -23.174 43.7188 PRESSAVG: 298800 69.1059 -8.47198 27.1532 -8.47194 -78.9381 21.0588 27.1532 21.0587 46.0608 GPRESSAVG: 298800 69.4087 -9.78047 27.622 -9.90009 -77.4943 22.4787 26.4955 20.7119 44.884 TIMING: 298800 CPU: 894.207, 0.00304516/step Wall: 894.207, 0.00304516/step, 3.97665 hours remaining, 206.148438 MB of memory in use. ENERGY: 298800 738.9586 2054.2286 1970.5590 100.9361 -206543.8894 17975.3870 0.0000 0.0000 34257.5111 -149446.3090 299.1794 -183703.8201 -149364.3090 298.1568 99.9953 128.8351 556766.8528 12.0762 12.2661 PRESSURE: 299000 135.16 56.5184 -26.2364 56.5175 -115.474 77.5701 -26.2375 77.57 107.839 GPRESSURE: 299000 197.281 -61.1242 -121.233 45.5262 -46.2273 -0.10571 89.0955 49.0958 64.9547 PRESSAVG: 299000 53.7808 -7.28844 49.3378 -7.28844 5.61137 31.7067 49.3378 31.7067 -78.4576 GPRESSAVG: 299000 53.7198 -8.43084 48.631 -7.24882 4.18079 30.6373 48.7169 30.0923 -76.4274 TIMING: 299000 CPU: 894.816, 0.00304243/step Wall: 894.816, 0.00304243/step, 3.97291 hours remaining, 206.148438 MB of memory in use. ENERGY: 299000 737.8351 1994.5170 1966.0315 108.7767 -206427.0510 17933.8601 0.0000 0.0000 34360.1248 -149325.9058 300.0755 -183686.0306 -149230.4389 298.6483 42.5082 72.0028 557177.9852 -6.3552 -6.1756 PRESSURE: 299200 -46.2255 -38.5865 4.57168 -38.5872 16.3135 179.217 4.57145 179.217 -26.1327 GPRESSURE: 299200 -17.3352 -16.5625 60.7312 4.11776 28.1354 199.421 -37.7469 127.799 44.3247 PRESSAVG: 299200 30.1419 -6.18786 11.4574 -6.18782 -22.7349 -17.4791 11.4574 -17.4791 9.49316 GPRESSAVG: 299200 31.46 -2.95646 13.6739 -6.52751 -22.1649 -18.8471 11.4706 -14.1019 7.94313 TIMING: 299200 CPU: 895.422, 0.00302858/step Wall: 895.422, 0.00302858/step, 3.95465 hours remaining, 206.148438 MB of memory in use. ENERGY: 299200 748.3958 2112.8158 1953.7480 103.2926 -206437.8998 17862.4391 0.0000 0.0000 34426.0323 -149231.1761 300.6511 -183657.2085 -149140.6773 299.3678 -18.6815 18.3750 557451.4711 5.6334 5.7461 PRESSURE: 299400 -166.135 77.4981 -122.713 77.4984 43.3347 132.597 -122.713 132.596 -54.9459 GPRESSURE: 299400 -163.59 70.2804 -73.8088 88.9072 66.9404 121.479 -150.025 159.021 19.0677 PRESSAVG: 299400 -32.5064 -9.15833 -40.3608 -9.15831 -4.32765 -36.8679 -40.3608 -36.8679 59.8386 GPRESSAVG: 299400 -32.8139 -11.2014 -40.2184 -7.2522 -5.72663 -36.7587 -39.8171 -38.3184 61.3012 TIMING: 299400 CPU: 896.022, 0.00300078/step Wall: 896.022, 0.00300078/step, 3.91818 hours remaining, 206.148438 MB of memory in use. ENERGY: 299400 700.9603 2096.4816 1955.9020 107.5165 -206131.0883 17703.9247 0.0000 0.0000 34284.7673 -149281.5360 299.4174 -183566.3033 -149185.2646 299.9557 -59.2486 -25.8606 556849.0445 7.6682 7.5869 PRESSURE: 299600 -40.4922 -26.3609 5.43581 -26.3614 -49.5732 37.1887 5.43598 37.1868 -35.9251 GPRESSURE: 299600 15.2491 -95.3154 -12.5277 -32.5378 -24.4343 91.9368 45.9659 1.87602 -27.8399 PRESSAVG: 299600 48.5237 -27.9266 -2.92605 -27.9265 -32.5829 17.2369 -2.92606 17.2369 -20.1732 GPRESSAVG: 299600 48.8443 -27.1986 -5.41047 -29.2975 -30.962 16.7138 -2.91193 16.3962 -21.6066 TIMING: 299600 CPU: 896.627, 0.00302575/step Wall: 896.627, 0.00302575/step, 3.95063 hours remaining, 206.148438 MB of memory in use. ENERGY: 299600 744.1202 2080.5583 1972.5710 108.9716 -205753.8617 17590.3898 0.0000 0.0000 34019.9421 -149237.3087 297.1046 -183257.2508 -149139.7448 299.6298 -41.9968 -12.3417 558498.7083 -1.4108 -1.2414 PRESSURE: 299800 223.894 -13.5645 -112.471 -13.5635 184.153 78.811 -112.472 78.8114 260.219 GPRESSURE: 299800 256.433 -13.4371 -77.6001 -67.3442 185.376 134.863 -163.298 15.6214 316.173 PRESSAVG: 299800 43.2745 11.5248 -4.75807 11.5249 -71.1199 9.01966 -4.75815 9.01962 37.0042 GPRESSAVG: 299800 43.1679 11.9418 -5.23073 11.0451 -72.3364 9.4094 -3.08632 10.411 38.0222 TIMING: 299800 CPU: 897.24, 0.00306677/step Wall: 897.24, 0.00306677/step, 4.004 hours remaining, 206.148438 MB of memory in use. ENERGY: 299800 742.2699 2124.7088 1918.5279 108.4934 -206924.3282 18285.4491 0.0000 0.0000 34353.4710 -149391.4079 300.0174 -183744.8790 -149297.2706 299.0002 222.7553 252.6604 556575.8326 3.0529 2.9512 PRESSURE: 300000 36.6758 -25.5883 101.528 -25.5889 42.9613 109.805 101.529 109.807 -162.612 GPRESSURE: 300000 56.7349 46.7881 39.1991 42.1971 82.8366 97.1996 106.21 135.825 -115.762 PRESSAVG: 300000 20.9908 -21.2976 5.52037 -21.2976 4.08046 26.6295 5.5205 26.6294 33.4199 GPRESSAVG: 300000 21.6213 -22.1775 9.1415 -21.0898 3.66464 28.8293 3.34598 25.1799 32.4482 TIMING: 300000 CPU: 897.845, 0.00302307/step Wall: 897.845, 0.00302307/step, 3.94678 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: 300000 777.9610 2056.1735 1926.1136 117.6699 -206395.8465 17801.9846 0.0000 0.0000 34233.2439 -149482.7000 298.9674 -183715.9440 -149393.8689 298.5422 -27.6584 7.9366 556672.8074 19.4971 19.2447 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 300000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 300000 WRITING COORDINATES TO RESTART FILE AT STEP 300000 FINISHED WRITING RESTART COORDINATES The last position output (seq=300000) takes 0.012 seconds, 206.148 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 300000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=300000) takes 0.008 seconds, 206.148 MB of memory in use PRESSURE: 300200 62.5511 31.6587 -45.9065 31.6569 -10.6891 224.746 -45.907 224.746 53.3481 GPRESSURE: 300200 112.959 156.539 27.0039 -4.4489 -3.34994 208.809 13.9374 177.48 90.4863 PRESSAVG: 300200 -47.0869 -72.3572 -7.67927 -72.3573 -9.4505 -30.1483 -7.67927 -30.1484 64.0031 GPRESSAVG: 300200 -48.1646 -71.691 -8.16121 -72.9507 -9.09677 -29.7414 -7.6531 -29.5129 64.6796 TIMING: 300200 CPU: 898.528, 0.00341637/step Wall: 898.528, 0.00341637/step, 4.46007 hours remaining, 206.148438 MB of memory in use. ENERGY: 300200 722.1973 2044.7298 1945.5648 123.4701 -206426.2878 17841.9622 0.0000 0.0000 34367.6836 -149380.6800 300.1415 -183748.3635 -149282.2994 299.1032 35.0701 66.6984 556095.2975 2.4886 2.4728 LDB: ============= START OF LOAD BALANCING ============== 902.047 LDB: ============== END OF LOAD BALANCING =============== 902.047 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 902.048 LDB: ============= START OF LOAD BALANCING ============== 902.354 LDB: Largest compute 4773 load 0.033301 is 28.3% of average load 0.117815 LDB: Average compute 0.001736 is 1.5% of average load 0.117815 LDB: TIME 902.357 LOAD: AVG 0.117815 MAX 0.218329 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.645 MB LDB: TIME 902.357 LOAD: AVG 0.117815 MAX 0.218329 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.645 MB LDB: TIME 902.357 LOAD: AVG 0.117815 MAX 0.218329 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.645 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 902.359 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 902.363 PRESSURE: 300400 19.9101 -61.7573 119.914 -61.7581 104.297 84.9367 119.914 84.9365 279.361 GPRESSURE: 300400 18.5093 -25.2299 150.122 -151.216 131.21 101.277 88.4214 56.172 354.925 PRESSAVG: 300400 -0.843957 21.5532 -1.17679 21.5533 8.20247 78.9285 -1.17671 78.9285 -42.824 GPRESSAVG: 300400 -0.84832 20.1148 -1.3236 20.858 8.09692 75.9402 0.425004 79.7556 -42.6689 TIMING: 300400 CPU: 899.147, 0.00309265/step Wall: 899.147, 0.00309265/step, 4.03729 hours remaining, 205.718750 MB of memory in use. ENERGY: 300400 760.0686 2081.4176 1935.3491 114.5626 -206856.1842 18102.5885 0.0000 0.0000 34364.5405 -149497.6573 300.1141 -183862.1978 -149400.5486 298.9069 134.5229 168.2148 556147.3984 -11.8218 -11.8068 PRESSURE: 300600 -318.408 -33.4017 -60.6486 -33.4013 -69.1188 -21.406 -60.6475 -21.406 -126.609 GPRESSURE: 300600 -318.534 -127.14 -77.7317 108.937 -5.25206 18.7169 -76.4417 2.22024 -86.7405 PRESSAVG: 300600 47.9926 -47.0937 45.7328 -47.0936 -17.766 33.7603 45.7328 33.7603 -19.2125 GPRESSAVG: 300600 48.7137 -46.5825 46.2079 -46.1014 -17.2615 36.4711 42.3862 32.5425 -20.5395 TIMING: 300600 CPU: 899.749, 0.00301172/step Wall: 899.749, 0.00301172/step, 3.93147 hours remaining, 205.960938 MB of memory in use. ENERGY: 300600 747.6447 2096.4197 1959.3167 120.8531 -206247.3713 17653.9538 0.0000 0.0000 34260.5595 -149408.6238 299.2060 -183669.1834 -149315.6294 298.3030 -171.3785 -136.8420 556494.6614 3.6714 3.6376 PRESSURE: 300800 -22.786 -163.364 62.0133 -163.365 -277.936 141.811 62.0134 141.81 -2.02754 GPRESSURE: 300800 7.20169 -136.86 2.20318 -165.987 -208.657 84.0957 111.072 146.299 -7.31631 PRESSAVG: 300800 -32.4223 -34.4156 26.1311 -34.4156 -31.0612 48.0595 26.1312 48.0593 45.1102 GPRESSAVG: 300800 -33.42 -33.9958 23.798 -34.8512 -31.9119 46.9872 30.8102 47.9282 46.6932 TIMING: 300800 CPU: 900.35, 0.00300637/step Wall: 900.35, 0.00300637/step, 3.92431 hours remaining, 205.960938 MB of memory in use. ENERGY: 300800 786.3047 2038.5841 1939.9892 127.0054 -206616.9263 17915.6626 0.0000 0.0000 34100.4383 -149708.9420 297.8076 -183809.3803 -149613.4257 298.5255 -100.9164 -69.5904 556896.3701 -6.1244 -6.2129 PRESSURE: 301000 161.027 50.2112 -28.3698 50.2118 -83.0051 61.81 -28.3696 61.8104 -363.429 GPRESSURE: 301000 220.189 74.6002 -19.2097 115.131 -78.4773 46.2584 53.7361 5.47795 -321.41 PRESSAVG: 301000 69.3282 0.416463 -14.6271 0.416529 -60.6097 24.9049 -14.6271 24.905 -18.2131 GPRESSAVG: 301000 70.522 1.00354 -14.0267 0.713876 -59.9439 25.2501 -17.4117 25.991 -20.0505 TIMING: 301000 CPU: 900.957, 0.00303562/step Wall: 900.957, 0.00303562/step, 3.96232 hours remaining, 205.960938 MB of memory in use. ENERGY: 301000 819.8606 2091.0637 1968.4754 109.1034 -206364.0946 17935.9766 0.0000 0.0000 33879.5529 -149560.0620 295.8786 -183439.6149 -149466.2319 297.5079 -95.1355 -59.8995 558642.1183 -3.1649 -3.1575 PRESSURE: 301200 -149.705 -1.98158 -154.327 -1.98235 -96.2501 103.972 -154.326 103.97 -13.5481 GPRESSURE: 301200 -67.5856 -70.9521 -142.785 -74.9942 -79.191 117.484 -112.617 82.7468 -16.8814 PRESSAVG: 301200 22.1235 28.0716 -54.5006 28.0716 -46.6877 64.8212 -54.5007 64.8211 47.0603 GPRESSAVG: 301200 21.8313 26.9503 -55.5271 26.8023 -47.248 64.4711 -53.4242 64.3883 47.5348 TIMING: 301200 CPU: 901.562, 0.00302292/step Wall: 901.562, 0.00302292/step, 3.94558 hours remaining, 205.960938 MB of memory in use. ENERGY: 301200 762.2553 2123.5458 1967.8333 110.1839 -206295.2032 17812.1739 0.0000 0.0000 34172.7461 -149346.4650 298.4391 -183519.2110 -149254.0596 298.5490 -86.5010 -54.5527 557184.2333 7.4987 7.3727 PRESSURE: 301400 -389.59 55.6718 42.1592 55.6731 -327.607 -32.7845 42.1588 -32.7832 -289.999 GPRESSURE: 301400 -354.469 130.915 41.7257 65.61 -331.943 -73.2419 39.9532 20.6185 -241.794 PRESSAVG: 301400 -26.8765 -12.5615 4.74411 -12.5615 -32.4139 -0.212692 4.74408 -0.212746 57.0137 GPRESSAVG: 301400 -26.3787 -14.5048 5.90258 -11.0316 -32.3194 2.59813 2.33044 -1.05413 56.2494 TIMING: 301400 CPU: 902.167, 0.00302619/step Wall: 902.167, 0.00302619/step, 3.94968 hours remaining, 205.960938 MB of memory in use. ENERGY: 301400 791.0041 2116.1177 1946.2081 105.3942 -205779.5666 17277.6758 0.0000 0.0000 34104.9724 -149438.1944 297.8472 -183543.1668 -149339.7094 298.6704 -335.7320 -309.4020 557758.8206 -0.7589 -0.8162 PRESSURE: 301600 -178.468 76.3428 -124.509 76.3423 -319.682 149.426 -124.509 149.424 -243.058 GPRESSURE: 301600 -143.006 100.077 -84.9742 50.1944 -315.412 143.497 -144.496 53.1141 -184.378 PRESSAVG: 301600 40.6254 -12.115 26.0513 -12.115 26.5204 22.5074 26.0514 22.5074 -11.0185 GPRESSAVG: 301600 39.5774 -10.2512 26.8619 -11.1455 26.6335 20.3273 26.7757 24.601 -10.0843 TIMING: 301600 CPU: 902.771, 0.0030176/step Wall: 902.771, 0.0030176/step, 3.93831 hours remaining, 206.226562 MB of memory in use. ENERGY: 301600 773.1899 2113.4035 1963.4810 120.9245 -206184.8936 17520.9168 0.0000 0.0000 34274.4214 -149418.5566 299.3270 -183692.9780 -149319.9188 298.4367 -247.0695 -214.2651 556996.2329 18.7091 18.7089 PRESSURE: 301800 -183.151 131.538 -9.50293 131.538 -247.041 13.9039 -9.50383 13.9051 27.3763 GPRESSURE: 301800 -164.46 165.89 -52.5799 86.0231 -234.336 79.1683 13.8147 13.5083 80.3365 PRESSAVG: 301800 51.9816 38.7953 4.68513 38.7954 -62.0043 41.8052 4.68508 41.8051 -6.93949 GPRESSAVG: 301800 52.0731 38.9978 2.7089 38.0061 -62.3046 41.9756 6.38468 40.682 -6.33559 TIMING: 301800 CPU: 903.375, 0.00302096/step Wall: 903.375, 0.00302096/step, 3.94252 hours remaining, 206.226562 MB of memory in use. ENERGY: 301800 751.3599 2098.1401 1947.8015 105.2179 -205770.1886 17488.8144 0.0000 0.0000 34098.5205 -149280.3344 297.7909 -183378.8548 -149181.7018 298.4034 -134.2721 -106.1530 558163.9143 -5.6540 -5.5224 PRESSURE: 302000 -149.214 187.259 118.854 187.258 55.571 222.838 118.854 222.839 -22.0313 GPRESSURE: 302000 -117.913 141.659 220.254 152.484 58.3341 275.281 57.519 122.211 35.616 PRESSAVG: 302000 25.9064 59.3312 18.5811 59.3312 -32.4025 19.9504 18.581 19.9503 34.9388 GPRESSAVG: 302000 26.6811 58.5775 19.7279 60.1949 -31.6311 20.9802 17.4604 19.4624 33.2677 TIMING: 302000 CPU: 903.979, 0.00301964/step Wall: 903.979, 0.00301964/step, 3.94064 hours remaining, 206.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 302000 751.1171 2087.9242 1946.8571 114.1367 -206442.8847 17829.3169 0.0000 0.0000 34358.7049 -149354.8278 300.0631 -183713.5327 -149259.9316 298.4148 -38.5581 -7.9876 558243.2963 9.4809 9.4392 PRESSURE: 302200 295.061 -97.4028 -44.415 -97.4028 186.574 75.686 -44.4136 75.6844 -54.658 GPRESSURE: 302200 280.17 -110.942 -52.798 -96.4075 180.239 53.8048 -75.4411 72.8197 60.1505 PRESSAVG: 302200 -33.6286 -6.72931 -4.90657 -6.72926 9.63497 26.0526 -4.90653 26.0526 55.0048 GPRESSAVG: 302200 -33.6317 -5.57567 -6.34807 -6.22094 7.8067 24.0654 -3.68939 28.6711 56.3361 TIMING: 302200 CPU: 904.577, 0.00299282/step Wall: 904.577, 0.00299282/step, 3.90547 hours remaining, 206.226562 MB of memory in use. ENERGY: 302200 716.7713 2122.5827 1959.2131 115.8506 -206412.2156 17879.4139 0.0000 0.0000 34029.7106 -149588.6733 297.1899 -183618.3839 -149493.1180 298.8709 142.3255 173.5197 557446.4256 10.3371 10.1704 PRESSURE: 302400 -145.004 33.6315 -79.3244 33.6312 49.5774 -110.859 -79.325 -110.858 -4.1388 GPRESSURE: 302400 -53.6516 -17.1729 -137.137 123.021 69.8122 -68.5673 -99.6874 -100.278 -9.13152 PRESSAVG: 302400 -31.3756 -54.7336 21.4173 -54.7338 -28.0128 16.9817 21.4173 16.9816 24.1441 GPRESSAVG: 302400 -32.5025 -54.9838 22.1788 -54.9281 -26.9591 18.365 21.1082 16.0085 24.5901 TIMING: 302400 CPU: 905.181, 0.0030178/step Wall: 905.181, 0.0030178/step, 3.9379 hours remaining, 206.226562 MB of memory in use. ENERGY: 302400 776.0700 2083.4330 1923.6309 102.4450 -206464.0792 17952.0273 0.0000 0.0000 34074.3149 -149552.1581 297.5795 -183626.4730 -149451.0694 297.5021 -33.1883 2.3430 559388.8556 -11.7481 -11.6238 PRESSURE: 302600 105.064 45.1316 -91.8416 45.1311 154.536 82.3937 -91.8426 82.3922 33.2607 GPRESSURE: 302600 112.238 -26.9649 -136.981 88.6965 188.06 86.4683 -88.5684 3.5472 85.5086 PRESSAVG: 302600 40.9625 29.2846 -26.8555 29.2846 -15.1346 -42.085 -26.8555 -42.085 -31.0817 GPRESSAVG: 302600 41.0836 29.2537 -29.3756 29.0563 -15.3349 -40.7436 -25.7112 -44.6223 -30.7579 TIMING: 302600 CPU: 905.786, 0.00302396/step Wall: 905.786, 0.00302396/step, 3.94576 hours remaining, 206.226562 MB of memory in use. ENERGY: 302600 739.2444 2091.7627 1941.5729 120.8837 -206438.4218 17940.4835 0.0000 0.0000 33976.7738 -149627.7007 296.7276 -183604.4745 -149529.7468 296.9315 97.6203 128.6022 557457.7436 -1.7512 -1.6697 PRESSURE: 302800 8.34125 -46.7755 -19.6497 -46.7748 11.1881 56.9477 -19.6508 56.9502 244.429 GPRESSURE: 302800 75.8832 58.8295 17.9187 -55.4787 69.5259 75.4111 -12.3423 33.1852 213.819 PRESSAVG: 302800 -4.72457 -43.0482 10.2345 -43.0481 3.07732 59.0738 10.2344 59.0737 -37.1434 GPRESSAVG: 302800 -4.29152 -41.4973 13.3019 -45.8028 3.46908 57.5391 8.97795 61.1409 -37.667 TIMING: 302800 CPU: 906.387, 0.00300567/step Wall: 906.387, 0.00300567/step, 3.92173 hours remaining, 206.226562 MB of memory in use. ENERGY: 302800 759.1949 2100.1706 1941.1217 103.8614 -206682.3305 17962.8134 0.0000 0.0000 34237.5398 -149577.6287 299.0050 -183815.1685 -149482.5916 297.0807 87.9862 119.7426 556235.3124 -12.9302 -12.8298 PRESSURE: 303000 -75.2811 38.2434 39.0782 38.2425 -181.677 -6.2149 39.078 -6.21405 -171.272 GPRESSURE: 303000 -40.9933 48.0171 75.2575 83.4615 -143.47 47.002 -4.63765 29.226 -146.786 PRESSAVG: 303000 -9.26852 -6.77116 -53.3183 -6.77123 31.1164 40.025 -53.3182 40.0251 -31.0459 GPRESSAVG: 303000 -10.1126 -6.30553 -53.64 -7.0839 31.0926 40.1157 -51.5017 39.238 -30.1785 TIMING: 303000 CPU: 906.991, 0.00301919/step Wall: 906.991, 0.00301919/step, 3.93921 hours remaining, 206.226562 MB of memory in use. ENERGY: 303000 730.1444 2073.7254 1946.4166 104.2167 -206212.5741 17512.4498 0.0000 0.0000 34288.3867 -149557.2345 299.4490 -183845.6212 -149460.7365 298.3446 -142.7432 -110.4164 556651.5995 -3.0660 -3.0662 PRESSURE: 303200 -149.728 -17.2547 121.529 -17.2547 67.1364 -181.049 121.529 -181.048 -5.46161 GPRESSURE: 303200 -90.7337 84.39 63.6147 -29.2112 60.2275 -172.346 67.9724 -204.221 49.9152 PRESSAVG: 303200 20.1126 -14.8226 -15.6467 -14.8227 -21.0115 46.7062 -15.6467 46.7061 7.03339 GPRESSAVG: 303200 21.819 -15.5054 -16.778 -13.8092 -20.8472 49.0427 -16.007 45.8341 4.90139 TIMING: 303200 CPU: 907.599, 0.0030403/step Wall: 907.599, 0.0030403/step, 3.96657 hours remaining, 206.226562 MB of memory in use. ENERGY: 303200 771.1890 2025.5397 1961.8273 125.6204 -206186.0595 17766.0522 0.0000 0.0000 33954.0711 -149581.7599 296.5293 -183535.8310 -149488.2510 297.9065 -29.3510 6.4697 555829.5994 2.0448 1.9578 PRESSURE: 303400 79.857 -111.651 -130.239 -111.652 -123.12 -89.592 -130.238 -89.5907 178.008 GPRESSURE: 303400 125.197 -36.365 -157.59 -108.267 -134.283 -69.719 -35.3046 -105.638 237.198 PRESSAVG: 303400 29.4904 -37.6094 -13.9392 -37.6094 -27.0648 -6.05302 -13.9392 -6.05313 -12.1552 GPRESSAVG: 303400 28.5068 -37.4948 -14.1012 -39.1221 -27.0625 -9.42454 -15.3212 -5.53749 -11.2172 TIMING: 303400 CPU: 908.207, 0.00304136/step Wall: 908.207, 0.00304136/step, 3.96779 hours remaining, 206.226562 MB of memory in use. ENERGY: 303400 756.9828 2111.5677 1948.0383 119.4671 -206422.8347 17834.5043 0.0000 0.0000 34268.3978 -149383.8768 299.2744 -183652.2746 -149289.2225 298.2237 44.9149 76.0374 555353.5760 -3.2432 -3.2577 PRESSURE: 303600 274.324 69.3626 -24.3898 69.3623 74.4587 6.29331 -24.3905 6.2941 26.4386 GPRESSURE: 303600 295.879 76.7492 -16.7366 104.389 112.596 10.9132 -93.7932 11.4492 69.6461 PRESSAVG: 303600 31.0382 -4.36601 -5.38138 -4.36612 -34.2858 -14.2286 -5.38147 -14.2285 52.3545 GPRESSAVG: 303600 30.4918 -5.22814 -4.32496 -1.69737 -33.8817 -11.2896 -4.91328 -15.479 52.2248 TIMING: 303600 CPU: 908.818, 0.0030541/step Wall: 908.818, 0.0030541/step, 3.98424 hours remaining, 206.226562 MB of memory in use. ENERGY: 303600 750.1061 2019.5031 1935.1716 113.7473 -206690.0462 18083.1393 0.0000 0.0000 34375.3661 -149413.0127 300.2086 -183788.3788 -149313.0190 298.6904 125.0737 159.3737 556757.2894 16.3690 16.2783 PRESSURE: 303800 -475.464 -115.96 -117.02 -115.959 -226.08 132.928 -117.02 132.928 -77.5117 GPRESSURE: 303800 -376.218 -30.5301 -71.2435 -65.6702 -226.314 41.3071 -218.113 126.727 -75.7088 PRESSAVG: 303800 66.4045 8.76868 -59.6565 8.76869 -56.1273 11.0402 -59.6567 11.0402 -26.6199 GPRESSAVG: 303800 66.9014 7.85386 -60.1098 8.8987 -56.8455 9.57868 -59.1919 12.2432 -26.4722 TIMING: 303800 CPU: 909.416, 0.00299298/step Wall: 909.416, 0.00299298/step, 3.90434 hours remaining, 206.226562 MB of memory in use. ENERGY: 303800 783.8412 2074.7464 1938.2549 121.4572 -205956.0741 17550.1563 0.0000 0.0000 34215.8223 -149271.7958 298.8153 -183487.6181 -149173.3363 298.7329 -259.6851 -226.0801 558761.3881 -5.4476 -5.4721 PRESSURE: 304000 139.723 -124.819 -57.1764 -124.818 -7.9497 47.6091 -57.1766 47.6094 124.248 GPRESSURE: 304000 153.758 -230.241 -38.8473 -131.89 55.2859 -12.9383 -18.4529 60.0849 138.069 PRESSAVG: 304000 12.7893 -5.42474 -38.0585 -5.42466 -92.9557 3.39334 -38.0586 3.39341 42.9786 GPRESSAVG: 304000 11.7193 -6.06636 -37.7403 -5.53907 -91.4259 1.63513 -37.1909 6.69056 42.2883 TIMING: 304000 CPU: 910.019, 0.00301502/step Wall: 910.019, 0.00301502/step, 3.93293 hours remaining, 206.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 304000 765.3488 2142.7974 1939.9503 120.3681 -206551.5290 17961.8215 0.0000 0.0000 34355.0682 -149266.1747 300.0314 -183621.2429 -149173.0471 299.6146 85.3404 115.7042 555866.8947 -12.3959 -12.4727 PRESSURE: 304200 28.5115 -87.9449 149.913 -87.9451 -11.9196 -99.9806 149.914 -99.9804 147.732 GPRESSURE: 304200 60.6949 -84.4939 124.357 -81.0035 -16.8205 -61.5514 122.632 -86.7931 216.34 PRESSAVG: 304200 43.2464 11.79 -14.8141 11.7901 -36.3343 10.752 -14.814 10.7519 -16.6002 GPRESSAVG: 304200 44.4873 12.3654 -15.6624 11.6141 -37.5574 11.3262 -13.7207 8.29215 -16.0593 TIMING: 304200 CPU: 910.623, 0.00301844/step Wall: 910.623, 0.00301844/step, 3.93722 hours remaining, 206.226562 MB of memory in use. ENERGY: 304200 723.8762 2086.5737 1955.0432 116.3088 -206412.4091 17872.2602 0.0000 0.0000 34380.4610 -149277.8860 300.2531 -183658.3470 -149183.2963 300.3394 54.7745 86.7383 556746.7415 -3.2294 -3.0431 LDB: ============= START OF LOAD BALANCING ============== 914.141 LDB: ============== END OF LOAD BALANCING =============== 914.142 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 914.143 LDB: ============= START OF LOAD BALANCING ============== 914.446 LDB: Largest compute 4773 load 0.033872 is 28.7% of average load 0.117852 LDB: Average compute 0.001745 is 1.5% of average load 0.117852 LDB: TIME 914.448 LOAD: AVG 0.117852 MAX 0.21183 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.426 MB LDB: TIME 914.449 LOAD: AVG 0.117852 MAX 0.21183 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.629 MB LDB: TIME 914.449 LOAD: AVG 0.117852 MAX 0.21183 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.629 MB LDB: ============== END OF LOAD BALANCING =============== 914.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 914.454 PRESSURE: 304400 39.6173 64.461 -41.5391 64.4607 158.231 -43.59 -41.5385 -43.5896 -1.02321 GPRESSURE: 304400 37.5815 3.47906 -172.496 100.746 215.199 -40.0974 58.2713 4.43885 40.5221 PRESSAVG: 304400 -17.3295 48.3453 -40.5335 48.3452 -4.02767 -32.9392 -40.5336 -32.9393 44.7915 GPRESSAVG: 304400 -18.6475 47.0506 -40.0476 49.0287 -2.82575 -32.4841 -41.7891 -32.4685 45.5614 TIMING: 304400 CPU: 911.238, 0.00307402/step Wall: 911.238, 0.00307402/step, 4.00955 hours remaining, 205.976562 MB of memory in use. ENERGY: 304400 749.8014 2034.4603 1972.0634 107.5438 -206548.9446 18014.9667 0.0000 0.0000 34427.8909 -149242.2181 300.6673 -183670.1090 -149138.7933 299.2947 65.6083 97.7675 557920.0837 7.8115 8.0294 PRESSURE: 304600 -56.6046 54.5231 -91.466 54.5235 -70.6569 140.173 -91.4643 140.172 -151.171 GPRESSURE: 304600 1.97003 18.7008 -121.343 81.2902 -43.699 90.1678 -123.514 162.101 -144.44 PRESSAVG: 304600 -16.0996 28.477 -43.0011 28.4769 -24.6908 21.6513 -43.001 21.6513 -32.4574 GPRESSAVG: 304600 -16.1823 28.3362 -42.3456 28.4489 -24.6323 21.4786 -44.8675 21.3731 -32.1765 TIMING: 304600 CPU: 911.837, 0.00299769/step Wall: 911.837, 0.00299769/step, 3.90982 hours remaining, 205.976562 MB of memory in use. ENERGY: 304600 745.2463 2152.9671 1939.2917 126.8355 -206249.6167 17662.6628 0.0000 0.0000 34186.0286 -149436.5846 298.5551 -183622.6133 -149340.8317 299.1323 -92.8108 -62.0563 557449.7729 -24.4159 -24.3304 PRESSURE: 304800 254.751 -63.6086 -80.5846 -63.608 -56.3148 89.0085 -80.5854 89.0085 109.066 GPRESSURE: 304800 209.014 -72.8554 -96.5759 -130.158 39.4086 102.632 -20.772 169.194 160.265 PRESSAVG: 304800 38.8955 21.6572 4.16005 21.6572 16.9917 71.386 4.15995 71.386 3.94732 GPRESSAVG: 304800 40.3815 23.7788 2.58818 21.5421 15.7637 71.8526 6.96697 70.2765 3.028 TIMING: 304800 CPU: 912.437, 0.00299522/step Wall: 912.437, 0.00299522/step, 3.90643 hours remaining, 205.976562 MB of memory in use. ENERGY: 304800 685.9516 2101.5468 1936.8865 115.3011 -206518.3575 17901.3970 0.0000 0.0000 34303.5411 -149473.7336 299.5814 -183777.2747 -149377.5896 299.6352 102.5008 136.2291 557180.1335 19.9448 19.7244 PRESSURE: 305000 177.391 -122.691 -137 -122.691 19.8828 9.1058 -137 9.10624 122.603 GPRESSURE: 305000 174.62 -120.88 -107.506 -124.019 69.3469 32.1593 -74.049 -1.07223 176.7 PRESSAVG: 305000 40.6555 -33.7887 -17.393 -33.7887 -14.0491 27.4436 -17.393 27.4436 -44.3692 GPRESSAVG: 305000 39.4385 -32.8664 -16.2094 -33.5185 -13.7102 26.3973 -18.6925 28.7923 -43.4884 TIMING: 305000 CPU: 913.033, 0.00298176/step Wall: 913.033, 0.00298176/step, 3.88871 hours remaining, 205.976562 MB of memory in use. ENERGY: 305000 736.5049 2057.7088 1960.1989 114.3119 -206506.8521 18091.5412 0.0000 0.0000 34078.2990 -149468.2875 297.6143 -183546.5866 -149369.0659 297.9156 106.6254 140.2222 558193.6625 -5.9209 -5.9200 PRESSURE: 305200 109.195 -12.1381 24.6047 -12.1378 202.945 -233.552 24.605 -233.551 270.853 GPRESSURE: 305200 203.36 -63.8366 68.0808 18.8153 229.668 -228.977 -78.5455 -135.805 253.566 PRESSAVG: 305200 -13.0225 -41.979 23.3136 -41.979 51.6125 -41.6051 23.3137 -41.6051 -21.3935 GPRESSAVG: 305200 -12.2163 -43.6191 23.5948 -41.1453 52.0674 -40.2944 22.0506 -42.6921 -22.4386 TIMING: 305200 CPU: 913.633, 0.0030028/step Wall: 913.633, 0.0030028/step, 3.91599 hours remaining, 205.976562 MB of memory in use. ENERGY: 305200 758.6637 2067.0497 1941.5867 115.3489 -207054.9546 18287.7940 0.0000 0.0000 34527.2394 -149357.2722 301.5350 -183884.5116 -149262.6161 298.8178 194.3309 228.8647 556734.7116 5.7322 5.8042 PRESSURE: 305400 -192.293 -107.834 -178.021 -107.835 -509.946 -58.7993 -178.022 -58.7995 -475.607 GPRESSURE: 305400 -185.326 -77.3136 -170.881 -83.8495 -463.503 -79.1179 -180.517 -81.2918 -428.702 PRESSAVG: 305400 -16.6335 -24.3457 23.3969 -24.3458 -19.0358 -69.4482 23.3969 -69.4483 51.8532 GPRESSAVG: 305400 -17.348 -22.5215 21.1328 -26.6188 -19.3451 -69.39 26.1134 -69.0883 52.9653 TIMING: 305400 CPU: 914.24, 0.00303391/step Wall: 914.24, 0.00303391/step, 3.95639 hours remaining, 205.976562 MB of memory in use. ENERGY: 305400 733.0227 2046.4481 1960.1988 120.6350 -205861.1104 17385.6544 0.0000 0.0000 34187.8405 -149427.3109 298.5709 -183615.1514 -149336.1852 299.0629 -392.6151 -359.1770 558682.5738 5.3946 5.4241 PRESSURE: 305600 -204.564 42.735 30.3231 42.7352 -98.1691 -137.379 30.3236 -137.378 50.0027 GPRESSURE: 305600 -190.171 47.7315 28.6725 -8.93906 -48.7217 -108.489 23.5043 -152.489 83.8318 PRESSAVG: 305600 -0.548699 -29.3479 -18.0986 -29.3479 -32.7385 -53.3672 -18.0986 -53.3672 0.701577 GPRESSAVG: 305600 1.06291 -30.6559 -15.9545 -28.435 -32.9408 -53.5775 -18.6277 -52.6007 -1.06934 TIMING: 305600 CPU: 914.838, 0.00298949/step Wall: 914.838, 0.00298949/step, 3.8983 hours remaining, 205.976562 MB of memory in use. ENERGY: 305600 727.3499 2065.8053 1962.5778 101.4305 -206129.8865 17717.3898 0.0000 0.0000 34100.1782 -149455.1549 297.8053 -183555.3331 -149357.6460 298.4632 -84.2436 -51.6868 557183.5937 -10.8619 -10.9824 PRESSURE: 305800 20.7732 66.205 -62.0553 66.2042 -103.286 -116.994 -62.0561 -116.991 328.419 GPRESSURE: 305800 57.7049 4.63339 -9.44838 131.7 -20.8562 -173.116 -64.3088 -84.1663 308.686 PRESSAVG: 305800 30.1777 21.9979 19.8274 21.9978 -31.3909 -34.0889 19.8273 -34.0889 -6.69341 GPRESSAVG: 305800 28.0881 22.3168 19.515 21.0194 -31.5144 -34.5825 19.5124 -35.4858 -4.68983 TIMING: 305800 CPU: 915.438, 0.00299824/step Wall: 915.438, 0.00299824/step, 3.90954 hours remaining, 205.976562 MB of memory in use. ENERGY: 305800 720.6976 2086.6813 1952.2803 110.2886 -206554.0076 17936.5285 0.0000 0.0000 34418.2448 -149329.2864 300.5831 -183747.5312 -149231.3227 298.9542 81.9685 115.1783 555889.3167 -2.6355 -2.7054 PRESSURE: 306000 172.211 -58.9626 -55.0924 -58.9627 96.6195 45.129 -55.0914 45.1294 23.7731 GPRESSURE: 306000 175.429 -78.014 -12.9071 -94.5643 112.363 75.8634 -41.4707 114.114 98.93 PRESSAVG: 306000 -11.2943 -0.223125 36.155 -0.223147 16.0791 0.542631 36.1551 0.542779 -48.6766 GPRESSAVG: 306000 -11.2127 0.661416 37.2738 -0.162704 16.8192 0.370834 35.9153 2.44953 -49.5936 TIMING: 306000 CPU: 916.038, 0.00300267/step Wall: 916.038, 0.00300267/step, 3.91514 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: 306000 769.3577 2050.9243 1973.5894 104.4055 -206385.5492 17892.5315 0.0000 0.0000 34109.2404 -149485.5005 297.8845 -183594.7409 -149385.5042 298.5701 97.5345 128.9073 556269.2327 -14.6306 -14.6623 PRESSURE: 306200 -392.202 65.6958 124.731 65.6958 -246.077 -261.014 124.731 -261.014 114.127 GPRESSURE: 306200 -309.76 160.131 83.4406 73.9923 -271.973 -234.511 137.591 -271.342 145.234 PRESSAVG: 306200 6.02326 25.7189 -5.28847 25.7189 45.6908 -17.7016 -5.28842 -17.7018 -32.8029 GPRESSAVG: 306200 6.96961 23.386 -5.61939 27.5829 44.1436 -18.0336 -4.98648 -18.5526 -32.8073 TIMING: 306200 CPU: 916.638, 0.0030002/step Wall: 916.638, 0.0030002/step, 3.91177 hours remaining, 205.976562 MB of memory in use. ENERGY: 306200 704.0966 2110.4741 1953.2310 98.2983 -206223.6048 17609.2311 0.0000 0.0000 34078.1995 -149670.0742 297.6134 -183748.2738 -149566.4045 297.9948 -174.7174 -145.4997 557758.5370 6.3037 6.1020 PRESSURE: 306400 145.131 -89.6082 35.4394 -89.6081 54.4421 193.864 35.4389 193.863 65.1187 GPRESSURE: 306400 153.965 -129.286 48.7769 -37.6005 57.8845 149.374 47.643 167.869 136.084 PRESSAVG: 306400 80.1497 8.60598 -5.92719 8.60602 7.61672 -3.73322 -5.9271 -3.73324 -61.3608 GPRESSAVG: 306400 79.7603 10.0294 -7.80187 6.94368 8.46932 -2.22787 -6.1745 -4.92947 -61.3471 TIMING: 306400 CPU: 917.238, 0.00299948/step Wall: 917.238, 0.00299948/step, 3.91066 hours remaining, 205.976562 MB of memory in use. ENERGY: 306400 759.7465 2089.9745 1963.7820 104.6422 -206450.0526 17982.3289 0.0000 0.0000 34023.4977 -149526.0807 297.1357 -183549.5785 -149430.6218 297.7140 88.2306 115.9780 556718.4974 8.8019 8.9608 PRESSURE: 306600 -92.4306 216.195 90.5443 216.194 129.002 28.9711 90.5449 28.9706 -95.3381 GPRESSURE: 306600 -78.6551 255.453 104.683 236.287 128.659 23.5904 99.6849 49.1533 -7.80061 PRESSAVG: 306600 -40.4519 -19.2548 -40.9542 -19.2548 25.2129 -31.1702 -40.9543 -31.1702 7.39556 GPRESSAVG: 306600 -40.9498 -18.4221 -38.9064 -19.1102 25.7729 -30.7783 -41.2159 -30.6221 7.4737 TIMING: 306600 CPU: 917.835, 0.00298161/step Wall: 917.835, 0.00298161/step, 3.88719 hours remaining, 205.976562 MB of memory in use. ENERGY: 306600 737.8823 1998.9846 1981.5917 118.8056 -206272.6712 17864.8718 0.0000 0.0000 34008.7372 -149561.7981 297.0068 -183570.5353 -149465.8337 298.0942 -19.5888 14.0679 557136.2211 -2.6145 -2.5677 PRESSURE: 306800 41.8289 -194.039 -70.9399 -194.039 -86.3467 -39.2795 -70.938 -39.279 -41.17 GPRESSURE: 306800 41.0033 -155.106 -123.191 -190.56 -23.995 -84.4889 -21.0304 -49.2614 -0.801956 PRESSAVG: 306800 -17.3361 -4.10263 3.6291 -4.10264 -0.853793 -17.4477 3.62916 -17.4476 6.77801 GPRESSAVG: 306800 -15.3499 -5.15848 0.566088 -1.65758 -2.37216 -20.0902 4.39761 -15.9556 6.50101 TIMING: 306800 CPU: 918.437, 0.00301422/step Wall: 918.437, 0.00301422/step, 3.92954 hours remaining, 205.976562 MB of memory in use. ENERGY: 306800 743.4863 2070.0304 1970.1563 117.5007 -206562.3727 17967.9093 0.0000 0.0000 34091.7005 -149601.5892 297.7313 -183693.2897 -149503.4538 297.9922 -28.5626 5.4021 556777.1263 -3.8040 -3.7404 PRESSURE: 307000 -64.9376 181.221 -129.5 181.219 -202.365 -131.153 -129.5 -131.152 155.16 GPRESSURE: 307000 -45.2197 147.009 -161.703 226.534 -166.403 -93.1117 -135.258 -77.2783 197.841 PRESSAVG: 307000 -40.2774 -3.34508 -44.1347 -3.34502 -11.3248 -1.88423 -44.1347 -1.88421 43.7772 GPRESSAVG: 307000 -40.4219 -2.38035 -41.827 -5.44619 -11.0064 -1.43394 -46.2696 -1.30724 43.9232 TIMING: 307000 CPU: 919.041, 0.00301601/step Wall: 919.041, 0.00301601/step, 3.93171 hours remaining, 205.976562 MB of memory in use. ENERGY: 307000 756.8204 2075.6093 1944.9008 114.2345 -206791.9887 17944.5894 0.0000 0.0000 34375.0413 -149580.7931 300.2058 -183955.8343 -149476.1602 298.3757 -37.3808 -4.5939 557024.4295 -2.6083 -2.5017 PRESSURE: 307200 -221.515 -70.8746 -7.45642 -70.8755 -212.672 -91.8452 -7.45635 -91.844 -283.319 GPRESSURE: 307200 -216.251 -83.6815 -38.0852 -83.9292 -158.978 -81.8493 69.8932 -10.1966 -251.85 PRESSAVG: 307200 -48.7783 12.9707 24.8509 12.9708 -8.6741 -24.167 24.851 -24.167 47.4977 GPRESSAVG: 307200 -51.2447 14.3887 25.2555 11.512 -7.09279 -21.9719 28.3463 -26.8182 48.7188 TIMING: 307200 CPU: 919.643, 0.00301363/step Wall: 919.643, 0.00301363/step, 3.92844 hours remaining, 205.976562 MB of memory in use. ENERGY: 307200 726.2962 2085.4870 1966.8851 115.1660 -205769.0937 17273.2444 0.0000 0.0000 34095.9207 -149506.0943 297.7682 -183602.0150 -149408.2608 298.4394 -239.1688 -209.0263 557369.5741 -3.3183 -3.2062 PRESSURE: 307400 -199.098 -90.0335 26.7112 -90.0352 -334.101 -3.30711 26.7114 -3.30926 -22.4569 GPRESSURE: 307400 -176.021 -137.566 65.9113 -29.6795 -268.079 28.1623 -24.8433 -36.3201 -2.72722 PRESSAVG: 307400 -59.1052 -29.1233 39.3176 -29.1234 46.7895 12.8381 39.3176 12.838 -7.58347 GPRESSAVG: 307400 -56.9229 -30.2538 38.6025 -27.6751 45.5199 10.466 37.6068 15.6478 -8.26348 TIMING: 307400 CPU: 920.247, 0.00302014/step Wall: 920.247, 0.00302014/step, 3.93676 hours remaining, 205.976562 MB of memory in use. ENERGY: 307400 773.6074 2054.8130 1950.9071 125.1616 -206070.4204 17478.1739 0.0000 0.0000 34215.8263 -149471.9312 298.8153 -183687.7575 -149373.4132 298.4181 -185.2186 -148.9424 558190.6338 -6.6330 -6.5555 PRESSURE: 307600 -266.283 20.8055 -21.4802 20.8063 -5.60955 -34.0692 -21.479 -34.0712 -83.9004 GPRESSURE: 307600 -238.733 40.1354 -32.5905 -30.1188 22.0322 18.8589 -5.05356 -97.0072 -42.1917 PRESSAVG: 307600 -12.7517 -1.08829 37.6211 -1.08837 -20.1034 28.3481 37.6211 28.3481 4.79155 GPRESSAVG: 307600 -12.1589 0.298226 36.9926 -1.01721 -20.1324 30.0333 38.5083 26.9688 4.53885 TIMING: 307600 CPU: 920.851, 0.00301939/step Wall: 920.851, 0.00301939/step, 3.93561 hours remaining, 205.976562 MB of memory in use. ENERGY: 307600 730.8071 2049.1488 1951.3694 113.9316 -205865.9015 17425.0071 0.0000 0.0000 34055.7146 -149539.9228 297.4170 -183595.6374 -149432.8441 298.1735 -118.5976 -86.2975 557370.8895 -9.3545 -9.2508 PRESSURE: 307800 268.183 -11.8072 127.849 -11.8074 -36.5132 -133.522 127.849 -133.521 -210.262 GPRESSURE: 307800 331.835 -2.65709 125.039 -31.1454 -38.5605 -188.373 82.631 -93.6927 -180.533 PRESSAVG: 307800 22.4154 -6.38329 -67.6285 -6.38336 -32.2967 -23.6833 -67.6285 -23.6833 -6.40863 GPRESSAVG: 307800 21.0034 -6.70753 -67.3571 -6.6503 -31.4252 -23.949 -69.3263 -24.569 -5.93435 TIMING: 307800 CPU: 921.458, 0.00303371/step Wall: 921.458, 0.00303371/step, 3.9541 hours remaining, 205.976562 MB of memory in use. ENERGY: 307800 702.4218 2080.0470 1933.1295 129.6387 -206524.3437 17939.9841 0.0000 0.0000 34289.9843 -149449.1383 299.4630 -183739.1226 -149355.6184 297.4375 7.1361 37.5804 557003.5044 -5.4300 -5.4521 PRESSURE: 308000 148.064 88.3506 109.183 88.3516 135.217 24.3402 109.183 24.3413 272.21 GPRESSURE: 308000 185.073 67.4396 54.8085 92.6746 137.781 22.6697 52.0375 72.175 328.908 PRESSAVG: 308000 15.5055 -17.5899 12.4417 -17.59 -12.662 5.29075 12.4417 5.29071 1.78423 GPRESSAVG: 308000 16.7403 -17.8717 12.2862 -17.3106 -13.0982 3.47435 13.4028 7.14196 0.932136 TIMING: 308000 CPU: 922.064, 0.00302977/step Wall: 922.064, 0.00302977/step, 3.9488 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: 308000 747.1922 2034.9038 1940.9769 105.6973 -206342.4885 17870.2505 0.0000 0.0000 34311.1271 -149332.3407 299.6476 -183643.4678 -149230.8231 299.2668 185.1636 217.2539 556173.2253 1.5426 1.5248 PRESSURE: 308200 60.2544 -110.204 -84.5206 -110.204 117.416 -119.538 -84.5194 -119.538 -199.769 GPRESSURE: 308200 82.3233 -101.529 -37.5736 -14.6007 158.808 -149.253 -107.034 -39.4552 -157.171 PRESSAVG: 308200 -0.499477 31.3549 4.18145 31.355 -41.5581 -38.7644 4.1815 -38.7645 -4.18791 GPRESSAVG: 308200 -0.133231 28.8097 4.99885 33.0602 -41.6255 -36.2828 4.4594 -40.0648 -4.46808 TIMING: 308200 CPU: 922.661, 0.00298428/step Wall: 922.661, 0.00298428/step, 3.88935 hours remaining, 205.976562 MB of memory in use. ENERGY: 308200 731.3626 2064.8860 1936.0317 125.1654 -206260.6904 17809.8770 0.0000 0.0000 34345.1597 -149248.2079 299.9448 -183593.3676 -149146.5538 298.7032 -7.3662 27.9867 557043.6338 -15.4152 -15.4089 LDB: ============= START OF LOAD BALANCING ============== 926.176 LDB: ============== END OF LOAD BALANCING =============== 926.176 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 926.178 LDB: ============= START OF LOAD BALANCING ============== 926.476 LDB: Largest compute 4773 load 0.032982 is 28.0% of average load 0.117850 LDB: Average compute 0.001736 is 1.5% of average load 0.117850 LDB: TIME 926.478 LOAD: AVG 0.11785 MAX 0.210186 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.074 MB LDB: TIME 926.478 LOAD: AVG 0.11785 MAX 0.210186 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.094 MB LDB: TIME 926.479 LOAD: AVG 0.11785 MAX 0.210186 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.094 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 926.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 926.484 PRESSURE: 308400 -109.841 20.1591 -42.9347 20.1573 150.263 58.0257 -42.9353 58.0271 95.7485 GPRESSURE: 308400 -8.76121 2.87377 16.9682 25.0678 203.682 73.467 -16.1645 84.2474 33.4679 PRESSAVG: 308400 8.7469 -3.07068 -7.40882 -3.07066 27.8059 17.8081 -7.40879 17.8081 3.3829 GPRESSAVG: 308400 6.92492 -3.80958 -7.64346 -3.66339 29.2258 15.5736 -8.28615 17.7121 3.65253 TIMING: 308400 CPU: 923.268, 0.00303493/step Wall: 923.268, 0.00303493/step, 3.95519 hours remaining, 205.976562 MB of memory in use. ENERGY: 308400 788.1148 2071.0695 1916.1001 114.3720 -206334.2317 18072.3674 0.0000 0.0000 34266.0676 -149106.1403 299.2541 -183372.2078 -149005.2437 299.7068 45.3901 76.1296 558820.0719 13.3119 13.2677 PRESSURE: 308600 -224.178 124.541 178.344 124.539 137.492 -43.2541 178.346 -43.2519 101.405 GPRESSURE: 308600 -183.166 146.723 169.874 88.3915 163.781 -78.5812 211.923 -103.812 134.923 PRESSAVG: 308600 4.40523 11.0429 31.4062 11.0429 41.9684 -8.49144 31.4062 -8.49147 27.2522 GPRESSAVG: 308600 5.99101 12.3103 31.1479 11.1884 40.8284 -8.88329 33.0196 -7.46733 27.0017 TIMING: 308600 CPU: 923.865, 0.00298839/step Wall: 923.865, 0.00298839/step, 3.89436 hours remaining, 206.179688 MB of memory in use. ENERGY: 308600 736.6430 2135.6693 1950.7105 128.9144 -206384.7290 17870.6025 0.0000 0.0000 34370.5733 -149191.6162 300.1668 -183562.1895 -149095.2425 299.8205 4.9062 38.5129 557245.0784 24.5419 24.6071 PRESSURE: 308800 -124.225 41.8653 -112.516 41.8651 53.3279 -60.1239 -112.515 -60.1239 89.9453 GPRESSURE: 308800 -53.4015 70.6851 -101.707 29.2325 43.6538 -52.18 -145.845 -114.164 127.018 PRESSAVG: 308800 -19.0938 -24.7711 -18.1414 -24.7712 27.1745 69.4066 -18.1413 69.4067 19.1842 GPRESSAVG: 308800 -19.823 -23.4107 -17.4348 -25.2509 26.5667 71.542 -18.5539 70.1504 20.268 TIMING: 308800 CPU: 924.462, 0.00298334/step Wall: 924.462, 0.00298333/step, 3.88762 hours remaining, 206.179688 MB of memory in use. ENERGY: 308800 746.4954 2035.4121 1955.4222 119.5292 -206126.7390 17848.0176 0.0000 0.0000 34163.5797 -149258.2827 298.3590 -183421.8625 -149155.4413 299.9018 6.3496 39.0901 557808.7610 9.0883 9.0039 PRESSURE: 309000 -8.62209 -78.7408 -96.5275 -78.7403 180.655 122.705 -96.5268 122.704 152.654 GPRESSURE: 309000 -11.4479 -28.0043 -171.337 -124.608 228.218 101.172 -52.1444 77.6076 213.743 PRESSAVG: 309000 -0.29697 43.9258 -29.3391 43.9259 -34.3414 3.44676 -29.3391 3.44683 -6.92362 GPRESSAVG: 309000 -0.00355721 43.009 -29.6119 43.3901 -33.6576 3.13417 -29.1902 1.2325 -7.19283 TIMING: 309000 CPU: 925.061, 0.00299461/step Wall: 925.061, 0.00299461/step, 3.90215 hours remaining, 206.179688 MB of memory in use. ENERGY: 309000 706.1586 2072.5953 1971.9052 121.3202 -206293.5436 18039.5777 0.0000 0.0000 34294.5296 -149087.4570 299.5027 -183381.9866 -148990.7469 299.4220 108.2290 143.5045 559199.3182 -13.8540 -13.6180 PRESSURE: 309200 168.011 20.0384 -72.7931 20.0378 -27.0647 28.0271 -72.7925 28.028 85.0397 GPRESSURE: 309200 200.501 11.3876 -68.8756 -38.9276 9.8109 -34.8349 -12.2654 53.0691 105.139 PRESSAVG: 309200 -50.0735 -24.1953 -18.013 -24.1953 2.92782 26.1807 -18.0129 26.1807 56.4586 GPRESSAVG: 309200 -49.3673 -25.2133 -19.9194 -22.5791 1.63887 24.9522 -18.5708 25.4658 56.8923 TIMING: 309200 CPU: 925.656, 0.00297258/step Wall: 925.656, 0.00297258/step, 3.87328 hours remaining, 206.179688 MB of memory in use. ENERGY: 309200 718.4581 2094.0791 1926.1282 116.6424 -206192.0970 17848.0233 0.0000 0.0000 34277.7106 -149211.0551 299.3558 -183488.7657 -149116.9140 299.2292 75.3286 105.1502 557190.6545 3.1043 3.0546 PRESSURE: 309400 -314.412 77.4836 -82.0567 77.4837 -165.374 192.303 -82.0565 192.303 -101.872 GPRESSURE: 309400 -244.352 70.1104 -91.4772 83.4484 -169.093 196.965 -29.4045 189.485 -84.2462 PRESSAVG: 309400 -0.0247959 13.6679 2.23418 13.668 -24.2817 37.4105 2.23405 37.4105 37.7888 GPRESSAVG: 309400 -0.166873 14.9256 3.40782 11.995 -22.8042 38.4334 3.09494 38.8044 37.014 TIMING: 309400 CPU: 926.247, 0.0029574/step Wall: 926.247, 0.0029574/step, 3.85333 hours remaining, 206.179688 MB of memory in use. ENERGY: 309400 751.0260 2124.2750 1946.4623 111.9213 -205764.0115 17421.8728 0.0000 0.0000 34252.1903 -149156.2637 299.1329 -183408.4540 -149064.1608 299.6231 -193.8858 -165.8969 558406.6736 4.4941 4.6810 PRESSURE: 309600 -56.3261 95.8011 -74.9919 95.8009 -45.1313 -41.208 -74.9917 -41.2088 -141.412 GPRESSURE: 309600 -39.254 54.4647 12.7207 68.7302 9.79965 36.746 3.44595 -29.4455 -111.636 PRESSAVG: 309600 -20.2568 -12.2224 -4.23444 -12.2224 34.7661 22.8477 -4.23439 22.8477 3.06492 GPRESSAVG: 309600 -22.0603 -12.185 -2.90825 -12.6025 35.3818 24.0172 -5.41252 20.641 4.16015 TIMING: 309600 CPU: 926.847, 0.00299842/step Wall: 926.847, 0.00299842/step, 3.90661 hours remaining, 206.179688 MB of memory in use. ENERGY: 309600 791.2305 2077.0162 1967.7706 113.8739 -206388.0076 17951.6909 0.0000 0.0000 34255.8242 -149230.6013 299.1646 -183486.4255 -149138.3798 299.2392 -80.9566 -47.0300 558088.8627 5.8581 5.8272 PRESSURE: 309800 -22.4381 -138.362 -6.65822 -138.362 163.111 -23.7691 -6.65876 -23.7679 58.062 GPRESSURE: 309800 16.5592 -97.2076 -81.0328 -121.586 163.721 4.23365 6.14061 -5.26841 116.168 PRESSAVG: 309800 -3.25205 3.64866 61.2208 3.64864 12.0816 12.4105 61.2209 12.4105 11.3587 GPRESSAVG: 309800 0.0197692 3.58895 60.1848 5.2179 12.1189 12.358 62.5796 14.5353 8.53152 TIMING: 309800 CPU: 927.449, 0.00301071/step Wall: 927.449, 0.00301071/step, 3.92245 hours remaining, 206.179688 MB of memory in use. ENERGY: 309800 775.1033 2119.5205 1944.7782 109.6448 -206122.7648 17936.4913 0.0000 0.0000 34135.7486 -149101.4780 298.1160 -183237.2266 -149007.7585 299.5744 66.2449 98.8158 558460.7131 6.7294 6.8901 PRESSURE: 310000 -122.431 241.438 45.6107 241.439 -110.374 25.1151 45.6109 25.1155 319.585 GPRESSURE: 310000 -63.3883 216.454 -7.0801 213.773 -34.496 -28.6055 153.115 65.6959 282.305 PRESSAVG: 310000 56.8311 20.3105 2.39636 20.3105 -43.6834 -17.7482 2.3964 -17.7482 -31.9172 GPRESSAVG: 310000 55.4095 22.3041 -0.111855 19.9457 -44.2121 -20.3217 2.58119 -16.3073 -29.8904 TIMING: 310000 CPU: 928.049, 0.00299998/step Wall: 928.049, 0.00299998/step, 3.9083 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: 310000 735.7139 2121.1640 1943.2038 117.3925 -206050.2022 17816.0589 0.0000 0.0000 34332.2816 -148984.3874 299.8324 -183316.6690 -148891.4959 299.1397 28.9268 61.4737 558073.0638 -6.2565 -6.2310 PRESSURE: 310200 -146.47 128.132 -38.7276 128.131 12.7196 43.3595 -38.7284 43.3594 -49.6657 GPRESSURE: 310200 -84.6375 72.6447 -152.626 181.159 82.3979 24.8647 -10.0334 70.4641 -96.1199 PRESSAVG: 310200 -33.1753 55.1685 24.9286 55.1686 -6.39322 57.6168 24.9286 57.6167 4.37308 GPRESSAVG: 310200 -32.2263 54.3327 27.0876 56.5313 -6.64591 59.7055 25.3668 55.1986 3.81773 TIMING: 310200 CPU: 928.654, 0.00302815/step Wall: 928.654, 0.00302815/step, 3.94483 hours remaining, 206.179688 MB of memory in use. ENERGY: 310200 728.2242 2093.2605 1948.9681 119.7189 -205947.3390 17682.6599 0.0000 0.0000 34218.2195 -149156.2879 298.8362 -183374.5074 -149058.0302 299.1495 -61.1387 -32.7865 557103.4325 -11.7318 -11.6848 PRESSURE: 310400 154.859 113.048 -21.6507 113.046 154.916 -35.0488 -21.6506 -35.0496 -5.3229 GPRESSURE: 310400 191.397 95.9231 -86.1349 166.78 176.117 -63.8722 -13.8173 -22.4653 41.9326 PRESSAVG: 310400 -4.47734 52.6849 31.3972 52.6849 40.6005 -14.0306 31.3971 -14.0305 -20.8873 GPRESSAVG: 310400 -5.63152 50.9907 31.9805 50.1109 41.1136 -15.0866 30.041 -12.8577 -19.6127 TIMING: 310400 CPU: 929.257, 0.00301248/step Wall: 929.257, 0.00301248/step, 3.92426 hours remaining, 206.179688 MB of memory in use. ENERGY: 310400 744.9796 2074.1067 1960.0594 127.6445 -206386.0558 17929.6321 0.0000 0.0000 34341.5380 -149208.0955 299.9132 -183549.6335 -149115.7740 299.6265 101.4843 136.4819 557652.7427 5.0786 5.2898 PRESSURE: 310600 9.44678 23.6955 48.4511 23.6951 -104.612 -31.5059 48.4517 -31.5069 328.7 GPRESSURE: 310600 63.0394 50.456 87.5826 51.9656 -14.402 -42.6387 51.5233 -45.7941 282.566 PRESSAVG: 310600 79.129 16.5267 -2.20889 16.5266 4.94039 -0.471618 -2.20889 -0.471614 -94.9587 GPRESSAVG: 310600 79.7712 17.7332 -2.71455 18.009 5.27843 1.09347 -0.620286 0.0668779 -96.3942 TIMING: 310600 CPU: 929.86, 0.00301654/step Wall: 929.86, 0.00301655/step, 3.92939 hours remaining, 206.179688 MB of memory in use. ENERGY: 310600 741.7377 2068.3121 1972.6224 127.9191 -206181.4319 17950.9394 0.0000 0.0000 34123.9881 -149195.9130 298.0133 -183319.9011 -149104.6594 299.2469 77.8450 110.4012 556082.4816 -3.6298 -3.7815 PRESSURE: 310800 205.918 15.8714 -61.563 15.8722 108.127 -80.1261 -61.5653 -80.127 -17.8266 GPRESSURE: 310800 190.879 13.5855 -20.9268 -75.2748 149.558 -172.423 -73.3209 -69.3268 51.674 PRESSAVG: 310800 7.79018 23.3192 27.4746 23.3191 -59.9789 -0.580753 27.4746 -0.580694 54.4668 GPRESSAVG: 310800 6.49619 23.055 24.5622 22.047 -61.1003 -1.26152 28.5279 -1.97687 56.5225 TIMING: 310800 CPU: 930.462, 0.00300767/step Wall: 930.462, 0.00300767/step, 3.91766 hours remaining, 206.179688 MB of memory in use. ENERGY: 310800 740.2576 2112.6755 1959.8572 117.3432 -206384.7400 17887.9247 0.0000 0.0000 34399.6156 -149167.0662 300.4204 -183566.6819 -149075.7337 299.8814 98.7394 130.7037 555564.8149 0.7594 0.6394 PRESSURE: 311000 -126.429 -4.78381 -43.4882 -4.78548 104.641 -0.630719 -43.4885 -0.629871 -52.9813 GPRESSURE: 311000 -148.958 -48.7947 -35.1386 -5.68648 202.738 53.9469 -11.9071 45.6796 -45.981 PRESSAVG: 311000 42.1781 22.575 -9.65777 22.5749 -83.9407 8.0692 -9.65777 8.06914 25.6082 GPRESSAVG: 311000 42.2909 22.8925 -4.89513 23.7731 -83.8021 8.9241 -12.6101 7.75039 24.9754 TIMING: 311000 CPU: 931.054, 0.00296244/step Wall: 931.054, 0.00296244/step, 3.85858 hours remaining, 206.179688 MB of memory in use. ENERGY: 311000 771.7807 2078.5966 1952.6134 113.4477 -206107.8518 17613.2105 0.0000 0.0000 34440.8271 -149137.3757 300.7803 -183578.2029 -149040.3952 300.0333 -24.9231 2.5997 556390.1162 -5.3848 -5.5119 PRESSURE: 311200 181.532 -56.5671 125.242 -56.5673 55.6205 167.142 125.242 167.141 248.721 GPRESSURE: 311200 182.499 -34.3485 66.6145 -60.4078 114.472 212.267 125.493 128.881 278.12 PRESSAVG: 311200 -64.8472 -14.9885 11.1693 -14.9885 -2.38624 32.5674 11.1692 32.5674 48.2977 GPRESSAVG: 311200 -63.6566 -15.1797 11.6429 -14.2772 -3.3805 32.3505 11.1907 34.0853 47.6931 TIMING: 311200 CPU: 931.648, 0.00296911/step Wall: 931.648, 0.00296911/step, 3.8671 hours remaining, 206.179688 MB of memory in use. ENERGY: 311200 762.2745 2049.0655 1973.2217 110.2509 -206294.9255 18114.3476 0.0000 0.0000 34332.3900 -148953.3753 299.8333 -183285.7654 -148853.7891 300.1849 161.9579 191.6969 556584.4577 -6.3119 -6.4480 PRESSURE: 311400 260.292 -173.144 -101.003 -173.143 -4.50799 -125.322 -101.004 -125.322 -74.0408 GPRESSURE: 311400 274.773 -159.081 -16.9401 -115.319 54.097 -101.301 -141.146 -111.794 -34.6686 PRESSAVG: 311400 49.6396 -31.352 -16.8356 -31.352 -26.8664 74.3989 -16.8356 74.399 -34.7215 GPRESSAVG: 311400 48.8148 -31.7961 -18.7277 -31.0338 -25.753 73.7741 -15.4006 74.841 -34.9316 TIMING: 311400 CPU: 932.243, 0.00297328/step Wall: 932.243, 0.00297328/step, 3.87237 hours remaining, 206.179688 MB of memory in use. ENERGY: 311400 761.0809 2057.0581 1957.7752 117.1087 -206034.9670 17862.4487 0.0000 0.0000 34412.8149 -148866.6806 300.5357 -183279.4955 -148777.3773 299.9360 60.5809 98.0671 557631.1182 -3.9828 -3.9566 PRESSURE: 311600 188.253 -131.222 12.6355 -131.222 -17.1231 12.3244 12.6352 12.3235 -88.1462 GPRESSURE: 311600 239.821 -117.783 106.055 -136.699 17.0414 31.4414 -4.62154 68.2685 -66.1455 PRESSAVG: 311600 -27.8754 -10.2954 18.3464 -10.2954 29.6759 -26.3582 18.3464 -26.3583 17.7643 GPRESSAVG: 311600 -27 -9.57609 19.2328 -12.9884 29.2762 -26.8049 17.2258 -26.5841 17.8221 TIMING: 311600 CPU: 932.839, 0.00298294/step Wall: 932.839, 0.00298294/step, 3.88478 hours remaining, 206.179688 MB of memory in use. ENERGY: 311600 728.9128 2055.2830 1933.2232 116.9981 -205934.5567 17887.9311 0.0000 0.0000 34295.4205 -148916.7881 299.5104 -183212.2085 -148826.6300 299.9666 27.6613 63.5724 558332.0295 6.5216 6.6995 PRESSURE: 311800 67.1657 203.914 72.3773 203.915 49.3363 69.55 72.3764 69.5515 39.3805 GPRESSURE: 311800 39.5605 220.958 52.0932 222.163 144.339 55.7087 160.706 23.933 70.2342 PRESSAVG: 311800 -29.8359 38.4352 -32.8526 38.4351 39.7419 11.6113 -32.8526 11.6114 17.5862 GPRESSAVG: 311800 -30.0703 39.4766 -35.204 38.9194 38.9587 11.522 -31.2464 11.9546 18.3431 TIMING: 311800 CPU: 933.438, 0.00299235/step Wall: 933.438, 0.00299235/step, 3.89687 hours remaining, 206.179688 MB of memory in use. ENERGY: 311800 745.7322 2095.4249 1945.9317 118.4860 -205845.4033 17821.8396 0.0000 0.0000 34175.8820 -148942.1068 298.4665 -183117.9888 -148845.3198 300.9602 51.9608 84.7112 559521.7490 9.1641 9.0772 PRESSURE: 312000 51.5146 -159.112 -150.417 -159.112 -111.344 34.7889 -150.418 34.7895 235.412 GPRESSURE: 312000 93.8033 -57.3055 -108.406 -167.453 -83.5207 9.98896 -210.447 93.2622 249.165 PRESSAVG: 312000 48.8314 29.811 -18.3785 29.8109 -1.25607 73.0706 -18.3784 73.0706 -12.6342 GPRESSAVG: 312000 48.3761 29.4882 -17.3319 29.4446 -0.57437 72.8164 -19.3535 73.3519 -12.8765 TIMING: 312000 CPU: 934.034, 0.00297861/step Wall: 934.034, 0.00297861/step, 3.87881 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: 312000 758.6372 2106.6349 1930.8320 100.5801 -206203.1874 17976.7911 0.0000 0.0000 34315.3316 -149014.3804 299.6843 -183329.7120 -148916.8762 299.7990 58.5275 86.4825 557656.4833 11.6471 11.6418 PRESSURE: 312200 70.2482 -102.859 49.7535 -102.859 -248.7 141.427 49.7535 141.429 -110.483 GPRESSURE: 312200 102.936 -75.7474 7.49648 -108.243 -151.73 132.988 84.5839 172.751 -144.978 PRESSAVG: 312200 -40.3484 -8.41809 -24.6035 -8.41829 21.4946 27.9259 -24.6034 27.9259 20.0449 GPRESSAVG: 312200 -39.9262 -8.30129 -25.4578 -7.72839 21.0418 28.2158 -23.0234 27.4667 20.2331 TIMING: 312200 CPU: 934.636, 0.00300991/step Wall: 934.636, 0.00300991/step, 3.91941 hours remaining, 206.179688 MB of memory in use. ENERGY: 312200 789.6941 2050.7427 1914.3755 101.1044 -205729.9973 17602.6861 0.0000 0.0000 34255.2965 -149016.0980 299.1600 -183271.3945 -148923.5825 299.6264 -96.3116 -64.5905 558223.7661 0.3970 0.4496 LDB: ============= START OF LOAD BALANCING ============== 938.157 LDB: ============== END OF LOAD BALANCING =============== 938.157 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 938.159 LDB: ============= START OF LOAD BALANCING ============== 938.461 LDB: Largest compute 4773 load 0.033114 is 28.1% of average load 0.117753 LDB: Average compute 0.001736 is 1.5% of average load 0.117753 LDB: TIME 938.463 LOAD: AVG 0.117753 MAX 0.215392 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.816 MB LDB: TIME 938.463 LOAD: AVG 0.117753 MAX 0.215392 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.816 MB LDB: TIME 938.464 LOAD: AVG 0.117753 MAX 0.215392 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.816 MB LDB: ============== END OF LOAD BALANCING =============== 938.465 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 938.469 PRESSURE: 312400 -270.051 2.6783 -199.066 2.67909 -51.9411 6.75143 -199.066 6.75178 -333.511 GPRESSURE: 312400 -290.133 -80.8027 -171.126 98.2168 35.665 -10.383 -243.373 -92.1489 -309.87 PRESSAVG: 312400 -55.8781 0.769669 -24.3725 0.769719 -12.5551 7.05771 -24.3725 7.05769 36.1589 GPRESSAVG: 312400 -55.7325 0.210757 -20.5023 0.823227 -11.3933 7.4247 -25.2488 6.36573 35.3764 TIMING: 312400 CPU: 935.253, 0.00308755/step Wall: 935.253, 0.00308755/step, 4.02034 hours remaining, 204.437500 MB of memory in use. ENERGY: 312400 726.3800 2078.6989 1930.2408 129.5900 -205659.4954 17441.1253 0.0000 0.0000 34232.0553 -149121.4051 298.9571 -183353.4603 -149025.4068 299.2741 -218.5009 -188.1127 559695.0390 -10.7581 -10.5831 PRESSURE: 312600 -156.897 0.116714 -16.3816 0.116708 127.815 -49.13 -16.3826 -49.1296 84.7145 GPRESSURE: 312600 -120.744 47.4474 11.016 41.1554 175.659 -33.0921 -101.144 -63.1708 97.7802 PRESSAVG: 312600 -14.3414 30.9086 -44.1539 30.9085 24.2822 12.8178 -44.1539 12.8177 -12.1278 GPRESSAVG: 312600 -15.8429 34.5679 -45.0158 29.7704 23.1884 12.7342 -46.032 13.3737 -10.0362 TIMING: 312600 CPU: 935.853, 0.00299845/step Wall: 935.853, 0.00299845/step, 3.90414 hours remaining, 204.695312 MB of memory in use. ENERGY: 312600 727.6458 2118.1581 1931.4112 97.2160 -206007.3106 17739.1444 0.0000 0.0000 34280.8423 -149112.8928 299.3831 -183393.7351 -149028.4544 299.9282 18.5440 50.8983 556730.3847 -0.7290 -0.8969 PRESSURE: 312800 159.648 2.17964 39.9221 2.18002 275.099 123.31 39.9228 123.311 -22.7541 GPRESSURE: 312800 192.642 -87.7459 -30.8527 0.922129 300.947 2.83231 111.445 84.5389 15.247 PRESSAVG: 312800 73.6985 36.7568 13.5309 36.7569 -61.1474 -22.9732 13.531 -22.9731 5.46051 GPRESSAVG: 312800 73.8219 32.6435 12.4182 35.8178 -62.2923 -22.907 13.9918 -24.3066 6.09678 TIMING: 312800 CPU: 936.452, 0.00299537/step Wall: 936.452, 0.00299537/step, 3.89998 hours remaining, 204.695312 MB of memory in use. ENERGY: 312800 731.4020 2065.2643 1954.4138 105.2812 -206405.7579 18036.3617 0.0000 0.0000 34201.4130 -149311.6219 298.6894 -183513.0349 -149214.9286 299.6143 137.3306 169.6120 556558.7187 6.0039 5.8754 PRESSURE: 313000 -29.1171 -122.077 -112.082 -122.077 82.345 -66.4342 -112.081 -66.4346 213.001 GPRESSURE: 313000 29.6013 -70.2749 -126.819 -19.05 106.111 -87.6069 -29.9328 -28.3182 228.361 PRESSAVG: 313000 -25.0077 -50.4059 -30.7131 -50.4059 39.2339 -49.7364 -30.713 -49.7363 -5.74221 GPRESSAVG: 313000 -23.5704 -49.6894 -31.352 -47.1762 39.7081 -51.4638 -30.0413 -47.7284 -7.64014 TIMING: 313000 CPU: 937.055, 0.00301348/step Wall: 937.055, 0.00301348/step, 3.92338 hours remaining, 204.695312 MB of memory in use. ENERGY: 313000 701.8319 2030.4812 1964.6169 123.1425 -206124.1237 17824.6500 0.0000 0.0000 34167.8829 -149311.5185 298.3966 -183479.4013 -149213.5872 298.6278 88.7432 121.3578 555942.9846 2.8280 2.8325 PRESSURE: 313200 -158.809 -127.746 17.7506 -127.745 125.692 165.659 17.7507 165.657 -363.486 GPRESSURE: 313200 -145.88 -211.361 78.1942 -73.9225 151.606 209.917 -28.7323 160.96 -310.503 PRESSAVG: 313200 4.21482 -11.0046 -23.2704 -11.0045 22.2846 -16.5577 -23.2705 -16.5576 -2.06623 GPRESSAVG: 313200 4.38795 -10.0604 -22.4769 -11.7856 22.5837 -14.1184 -21.8644 -21.5141 -2.30216 TIMING: 313200 CPU: 937.652, 0.00298768/step Wall: 937.652, 0.00298768/step, 3.88963 hours remaining, 204.695312 MB of memory in use. ENERGY: 313200 753.2873 2092.5353 1915.5532 119.9306 -205895.6123 17388.3679 0.0000 0.0000 34326.3078 -149299.6302 299.7802 -183625.9380 -149201.8106 298.6098 -132.2010 -101.5922 555700.7594 8.1444 8.2232 PRESSURE: 313400 -143.245 147.233 156.22 147.234 -216.493 25.0031 156.221 25.0054 192.623 GPRESSURE: 313400 -134.98 53.4773 70.141 248.292 -173.302 26.9706 255.453 31.5079 232.905 PRESSAVG: 313400 -11.6896 -12.4656 24.8064 -12.4656 19.2495 -26.1242 24.8064 -26.1243 27.906 GPRESSAVG: 313400 -11.4661 -14.725 23.4107 -12.553 17.8621 -26.6859 24.1178 -20.6476 29.0418 TIMING: 313400 CPU: 938.245, 0.00296706/step Wall: 938.245, 0.00296706/step, 3.86262 hours remaining, 204.695312 MB of memory in use. ENERGY: 313400 748.1275 2069.1574 1962.8658 106.4559 -206216.3400 17653.7647 0.0000 0.0000 34193.1611 -149482.8076 298.6174 -183675.9687 -149387.3068 298.9113 -55.7052 -25.1253 555508.8741 11.8220 11.8126 PRESSURE: 313600 -140.572 -114.957 -100.261 -114.96 153.41 -37.7293 -100.261 -37.729 -148.304 GPRESSURE: 313600 -135.376 -55.9644 -98.8119 -94.8545 188.5 37.1884 -91.5116 -62.3381 -84.1544 PRESSAVG: 313600 -29.3308 19.1731 26.3615 19.1729 14.2696 -22.371 26.3615 -22.371 23.5549 GPRESSAVG: 313600 -28.9287 21.5755 28.3506 17.8067 15.8237 -24.5771 24.4412 -22.9397 21.3095 TIMING: 313600 CPU: 938.841, 0.0029769/step Wall: 938.841, 0.0029769/step, 3.87526 hours remaining, 204.695312 MB of memory in use. ENERGY: 313600 725.5300 2129.1599 1957.4377 119.5113 -206216.1176 17757.8190 0.0000 0.0000 34070.5666 -149456.0932 297.5467 -183526.6598 -149369.3912 299.1790 -45.1554 -10.3434 556822.9407 2.8312 2.7348 PRESSURE: 313800 5.24014 74.7024 17.1083 74.7027 -89.3272 -125.773 17.1088 -125.772 329.203 GPRESSURE: 313800 44.0108 47.7979 41.7357 73.8201 -80.6117 -92.709 -77.3916 -55.3556 364.068 PRESSAVG: 313800 -29.9353 46.9673 -37.4924 46.9673 33.9767 -18.1222 -37.4924 -18.1224 13.5868 GPRESSAVG: 313800 -31.9956 43.9386 -39.4663 46.6786 33.5287 -16.5346 -34.6905 -17.4996 15.8365 TIMING: 313800 CPU: 939.44, 0.00299768/step Wall: 939.44, 0.00299768/step, 3.90214 hours remaining, 204.695312 MB of memory in use. ENERGY: 313800 708.8059 2084.4392 1970.1857 104.2244 -206461.5171 17895.9506 0.0000 0.0000 34115.5270 -149582.3844 297.9394 -183697.9114 -149489.8122 298.8143 81.7054 109.1556 557358.5945 5.8761 5.7899 PRESSURE: 314000 -142.327 -53.0921 215.614 -53.0915 -144.415 6.79777 215.615 6.79702 -49.4711 GPRESSURE: 314000 -119.8 -22.1053 259.253 -12.4024 -125.08 55.5874 171.203 24.9086 8.1573 PRESSAVG: 314000 -62.9402 5.62829 -2.25758 5.62837 36.9657 10.1777 -2.25759 10.1777 42.2402 GPRESSAVG: 314000 -61.7499 7.15036 -0.346769 7.28713 36.8585 9.01417 -4.2287 9.94646 41.7089 TIMING: 314000 CPU: 940.04, 0.00299998/step Wall: 940.04, 0.00299998/step, 3.90498 hours remaining, 204.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 314000 751.3807 2081.2480 1919.4535 111.6237 -206301.6085 17750.6399 0.0000 0.0000 34133.9508 -149553.3121 298.1003 -183687.2628 -149455.6478 298.0581 -112.0709 -78.9078 556489.2248 5.4219 5.6059 PRESSURE: 314200 112.964 90.1007 -96.523 90.1003 67.8605 40.8193 -96.5225 40.8192 -281.429 GPRESSURE: 314200 80.0753 66.0217 39.7304 134.207 153.202 97.8867 -159.15 -40.6788 -224.112 PRESSAVG: 314200 -32.141 1.69059 16.0945 1.6905 91.6733 -11.6781 16.0944 -11.678 -16.5731 GPRESSAVG: 314200 -32.5359 3.1139 15.2862 1.33819 92.5117 -7.87852 18.2744 -14.0338 -16.6782 TIMING: 314200 CPU: 940.638, 0.00298966/step Wall: 940.638, 0.00298966/step, 3.89138 hours remaining, 204.769531 MB of memory in use. ENERGY: 314200 759.6215 2062.9960 1948.7307 131.5047 -206438.8284 17947.7179 0.0000 0.0000 34299.0536 -149289.2039 299.5422 -183588.2575 -149192.6200 298.7457 -33.5347 3.0551 557790.8475 14.3197 14.4325 PRESSURE: 314400 7.55373 -20.4846 136.307 -20.4857 92.6447 -131.146 136.308 -131.144 29.5581 GPRESSURE: 314400 10.1003 -43.9491 149.974 -48.0775 104.847 -147.156 71.4743 -143.687 124.37 PRESSAVG: 314400 34.9911 12.2696 4.58271 12.2696 39.9645 -14.0344 4.58272 -14.0343 -38.9755 GPRESSAVG: 314400 35.6586 9.16341 3.96818 12.2437 39.2434 -17.7625 4.29395 -13.0367 -38.8111 TIMING: 314400 CPU: 941.236, 0.00298924/step Wall: 941.236, 0.00298924/step, 3.89066 hours remaining, 204.769531 MB of memory in use. ENERGY: 314400 733.6020 2094.2755 1944.0790 131.6567 -206166.2777 17925.2145 0.0000 0.0000 33971.0926 -149366.3573 296.6780 -183337.4499 -149273.5542 299.4762 43.2522 79.7725 557431.8389 11.9934 12.0303 PRESSURE: 314600 -48.4681 97.5384 -6.28412 97.5392 -7.86629 -80.0896 -6.28331 -80.0892 36.3013 GPRESSURE: 314600 -47.9548 96.3052 -48.5511 138.379 -4.49493 -109.687 -2.89549 -12.9228 130.608 PRESSAVG: 314600 -3.89 -3.34926 4.7873 -3.34931 -26.962 47.0964 4.78733 47.0965 40.628 GPRESSAVG: 314600 -4.15298 -1.08851 5.30699 -3.07394 -26.8568 48.2562 2.27278 46.1105 40.4531 TIMING: 314600 CPU: 941.835, 0.00299215/step Wall: 941.835, 0.00299215/step, 3.89428 hours remaining, 204.769531 MB of memory in use. ENERGY: 314600 725.2124 2094.9332 1947.7325 108.5456 -206360.3468 17666.7292 0.0000 0.0000 34460.9446 -149356.2492 300.9560 -183817.1938 -149252.0885 299.3910 -6.6777 26.0527 556366.6679 3.2586 3.1478 PRESSURE: 314800 -20.6914 36.093 -32.419 36.093 -271.461 -14.5641 -32.4168 -14.5662 -38.1242 GPRESSURE: 314800 -17.9534 -10.5801 -74.7622 75.1961 -195.99 -35.995 -6.06371 -57.1154 -15.6822 PRESSAVG: 314800 10.9686 70.496 36.1799 70.4961 -42.9061 6.6817 36.1799 6.68168 42.9661 GPRESSAVG: 314800 11.0575 69.8663 35.346 71.024 -43.2558 6.79778 38.9671 7.59607 42.9844 TIMING: 314800 CPU: 942.428, 0.00296739/step Wall: 942.428, 0.00296739/step, 3.86189 hours remaining, 204.769531 MB of memory in use. ENERGY: 314800 721.3041 2057.4209 1924.5115 112.7361 -206005.3185 17639.5002 0.0000 0.0000 34151.5012 -149398.3445 298.2536 -183549.8457 -149302.0310 299.5841 -110.0922 -76.5418 556868.6508 3.6762 3.5954 PRESSURE: 315000 53.3135 0.925472 23.2361 0.924491 -165.425 3.00919 23.2374 3.00853 -202.424 GPRESSURE: 315000 104.637 -10.9408 1.62877 -17.2041 -152.643 -10.8219 47.8927 -26.8863 -155.352 PRESSAVG: 315000 33.3819 2.19597 24.0024 2.19594 9.36845 69.7728 24.0025 69.7729 -18.5182 GPRESSAVG: 315000 34.1758 3.04226 24.3891 0.746399 9.21811 68.9354 23.8356 69.683 -18.9734 TIMING: 315000 CPU: 943.028, 0.00299949/step Wall: 943.028, 0.00299949/step, 3.90351 hours remaining, 204.769531 MB of memory in use. ENERGY: 315000 714.7586 2104.4923 1940.0573 108.4989 -205957.0012 17574.3857 0.0000 0.0000 34262.3133 -149252.4950 299.2213 -183514.8083 -149160.4450 299.2073 -104.8452 -67.7860 556086.7343 8.0774 8.1402 PRESSURE: 315200 -153.912 95.8662 -39.4086 95.8661 116.195 74.9468 -39.408 74.9464 167.339 GPRESSURE: 315200 -85.223 94.84 -59.0317 74.871 100.749 64.1846 12.7363 100.649 207.996 PRESSAVG: 315200 44.1191 46.4399 -0.869743 46.4398 38.3325 30.3982 -0.869791 30.3981 -33.4903 GPRESSAVG: 315200 44.5064 44.9202 -0.864535 45.1712 39.325 29.342 -1.41871 29.2409 -34.9662 TIMING: 315200 CPU: 943.629, 0.00300629/step Wall: 943.629, 0.00300629/step, 3.91218 hours remaining, 204.769531 MB of memory in use. ENERGY: 315200 745.9131 2091.5960 1923.7338 98.1873 -206707.9623 18097.5410 0.0000 0.0000 34376.2096 -149374.7815 300.2160 -183750.9910 -149280.3519 299.2629 43.2072 74.5074 557492.8177 16.3204 16.2884 PRESSURE: 315400 -57.1648 -35.4248 103.606 -35.4243 16.931 189.698 103.606 189.699 -98.9136 GPRESSURE: 315400 -18.8255 -3.64335 29.7081 -33.387 87.815 247.999 49.3545 130.063 -116.276 PRESSAVG: 315400 5.29255 1.60347 36.7814 1.6035 80.6817 25.5179 36.7814 25.5179 -57.9604 GPRESSAVG: 315400 4.60424 3.64543 37.7254 3.16 80.4132 27.7913 36.5349 24.9923 -56.6187 TIMING: 315400 CPU: 944.229, 0.00299745/step Wall: 944.229, 0.00299745/step, 3.90051 hours remaining, 204.769531 MB of memory in use. ENERGY: 315400 730.5138 2073.9760 1932.0096 113.7529 -206424.5018 17925.9337 0.0000 0.0000 34318.7167 -149329.5991 299.7139 -183648.3157 -149228.8159 298.7986 -46.3825 -15.7622 559064.0050 9.3379 9.4662 PRESSURE: 315600 -172.399 -24.8157 23.502 -24.8161 -68.4428 -12.6464 23.5021 -12.6476 -2.39598 GPRESSURE: 315600 -65.754 -4.14112 77.0635 -111.349 -68.6137 -7.22649 56.434 -40.7443 -7.4666 PRESSAVG: 315600 -5.73855 19.0485 -8.85706 19.0484 -30.3163 -6.83867 -8.85696 -6.83868 13.4542 GPRESSAVG: 315600 -6.21355 17.1901 -7.43902 21.3439 -30.0895 -5.32442 -10.1722 -8.12721 13.2914 TIMING: 315600 CPU: 944.834, 0.00302675/step Wall: 944.834, 0.00302675/step, 3.93847 hours remaining, 204.769531 MB of memory in use. ENERGY: 315600 760.6056 2142.5350 1942.6736 125.7584 -206130.4437 17788.5524 0.0000 0.0000 34040.9356 -149329.3831 297.2880 -183370.3187 -149241.6952 298.8438 -81.0792 -47.2781 558547.3166 -7.5335 -7.6706 PRESSURE: 315800 52.455 -14.0429 -60.7084 -14.0444 158.888 56.9309 -60.7086 56.9313 -70.7065 GPRESSURE: 315800 77.1639 -29.0583 -118.573 47.3017 232.834 31.6357 -5.609 12.9531 -64.7603 PRESSAVG: 315800 -15.6667 -3.35446 -16.7606 -3.35454 41.9869 -12.5985 -16.7605 -12.5984 16.9323 GPRESSAVG: 315800 -14.9916 -0.836874 -20.0125 -6.85937 41.7362 -16.2312 -14.8333 -9.88909 16.1544 TIMING: 315800 CPU: 945.434, 0.00299901/step Wall: 945.434, 0.00299901/step, 3.90222 hours remaining, 204.769531 MB of memory in use. ENERGY: 315800 757.4156 2080.6170 1931.5850 123.6633 -206558.2381 17973.4236 0.0000 0.0000 34343.0097 -149348.5240 299.9260 -183691.5336 -149249.4516 299.3113 46.8790 81.7457 557362.9330 14.4175 14.2997 PRESSURE: 316000 -293.003 -65.4867 22.176 -65.4861 -292.048 32.9624 22.1763 32.9631 -154.27 GPRESSURE: 316000 -223.172 -10.9615 -11.7399 -143.613 -269.072 57.9005 91.9339 111.122 -140.523 PRESSAVG: 316000 -39.3252 -24.3031 -42.4009 -24.303 68.3151 1.2604 -42.4007 1.26044 -46.6139 GPRESSAVG: 316000 -40.1857 -24.4002 -41.5113 -24.2039 67.5694 0.625488 -41.4726 1.62154 -45.1293 TIMING: 316000 CPU: 946.036, 0.00300863/step Wall: 946.036, 0.00300863/step, 3.91456 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: 316000 736.9652 2068.7717 1938.2353 118.8587 -206031.7255 17479.1645 0.0000 0.0000 34021.4040 -149668.3260 297.1174 -183689.7300 -149576.8838 299.2799 -246.4403 -210.9224 556980.4444 -5.8747 -5.9152 PRESSURE: 316200 -271.908 124.25 -19.4815 124.251 -25.2442 -94.5423 -19.4804 -94.5411 -61.3891 GPRESSURE: 316200 -198.245 185.956 -73.7191 74.7609 -46.0105 -49.6735 14.0095 -116.398 -12.0483 PRESSAVG: 316200 -88.3492 -15.0966 -15.0713 -15.0967 4.5899 -4.62998 -15.0713 -4.62992 45.9741 GPRESSAVG: 316200 -88.3929 -14.6792 -16.0395 -14.5963 4.53944 -3.4316 -16.2898 -6.55724 46.1079 TIMING: 316200 CPU: 946.639, 0.00301451/step Wall: 946.639, 0.00301451/step, 3.92205 hours remaining, 204.769531 MB of memory in use. ENERGY: 316200 766.6348 2020.9394 1948.1204 108.1008 -206478.9746 17694.0552 0.0000 0.0000 34048.1265 -149892.9975 297.3508 -183941.1240 -149794.0699 297.5319 -119.5138 -85.4347 556280.4472 -12.5951 -12.5818 LDB: ============= START OF LOAD BALANCING ============== 950.154 LDB: ============== END OF LOAD BALANCING =============== 950.155 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 950.156 LDB: ============= START OF LOAD BALANCING ============== 950.458 LDB: Largest compute 4773 load 0.032191 is 27.3% of average load 0.117758 LDB: Average compute 0.001733 is 1.5% of average load 0.117758 LDB: TIME 950.461 LOAD: AVG 0.117758 MAX 0.214912 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.684 MB LDB: TIME 950.461 LOAD: AVG 0.117758 MAX 0.214912 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.887 MB LDB: TIME 950.461 LOAD: AVG 0.117758 MAX 0.214912 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.887 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 950.463 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 950.467 PRESSURE: 316400 42.0933 25.3326 149.778 25.3336 144.079 -32.7773 149.777 -32.7767 323.251 GPRESSURE: 316400 96.6873 46.9346 49.4816 1.04549 160.289 -5.75243 262.238 126.151 341.637 PRESSAVG: 316400 -18.6075 -2.54018 83.9295 -2.54008 -61.6413 15.2398 83.9295 15.2398 31.7407 GPRESSAVG: 316400 -18.1914 -1.7745 85.8224 -3.07758 -61.1183 13.8961 83.4577 16.8389 31.2525 TIMING: 316400 CPU: 947.251, 0.00306092/step Wall: 947.251, 0.00306092/step, 3.98225 hours remaining, 205.207031 MB of memory in use. ENERGY: 316400 755.6713 2023.4828 1973.7679 122.6974 -207283.0726 18177.3689 0.0000 0.0000 34373.6848 -149856.3996 300.1939 -184230.0844 -149769.2293 297.0312 169.8076 199.5376 555634.2195 -16.1694 -16.0191 PRESSURE: 316600 173.195 55.5301 -38.9391 55.5292 233.897 -134.851 -38.9391 -134.85 94.6171 GPRESSURE: 316600 208.335 -3.03236 -56.787 67.4056 224.999 -183.821 -55.0967 -159.974 181.523 PRESSAVG: 316600 8.18475 -8.12069 18.8223 -8.12066 -40.7338 69.8303 18.8223 69.8304 58.8359 GPRESSAVG: 316600 8.52818 -11.0358 16.8319 -6.16741 -40.7474 69.612 20.2812 69.5538 58.7744 TIMING: 316600 CPU: 947.856, 0.00302436/step Wall: 947.856, 0.00302436/step, 3.93453 hours remaining, 205.410156 MB of memory in use. ENERGY: 316600 724.8911 2137.5617 1939.1753 110.7314 -206902.3954 18158.6404 0.0000 0.0000 34025.4933 -149805.9023 297.1531 -183831.3956 -149710.4881 297.1464 167.2364 204.9527 555652.6890 8.7623 8.8517 PRESSURE: 316800 -181.802 -115.47 100.621 -115.469 26.9608 148.311 100.62 148.311 -133.104 GPRESSURE: 316800 -152.469 -177.483 93.3228 -151.402 57.2759 131.62 73.1739 161.889 -82.381 PRESSAVG: 316800 67.3976 -4.55082 62.9591 -4.55074 4.75623 3.10605 62.959 3.10597 -21.6133 GPRESSAVG: 316800 67.6777 -3.15204 64.9112 -7.52086 4.42554 4.15565 61.1285 2.06472 -22.1068 TIMING: 316800 CPU: 948.458, 0.00301369/step Wall: 948.458, 0.00301369/step, 3.92048 hours remaining, 205.410156 MB of memory in use. ENERGY: 316800 735.2227 2064.8935 1949.8136 113.3498 -206314.9279 17782.1125 0.0000 0.0000 34055.8159 -149613.7199 297.4179 -183669.5357 -149512.5283 298.3690 -95.9817 -59.1913 557534.4536 16.8469 16.6655 PRESSURE: 317000 36.6348 -24.1515 4.67529 -24.1524 52.5193 -88.5318 4.67512 -88.5309 -104.377 GPRESSURE: 317000 97.1191 -38.5226 12.6951 -93.433 45.9141 -71.8274 -19.4106 -70.4804 -59.4864 PRESSAVG: 317000 47.0821 -38.5502 -7.17927 -38.5502 -19.5661 -6.24002 -7.17936 -6.24001 -25.2317 GPRESSAVG: 317000 46.5959 -40.1723 -6.04413 -36.893 -20.2462 -7.14645 -6.38535 -6.38802 -24.3498 TIMING: 317000 CPU: 949.057, 0.00299105/step Wall: 949.057, 0.00299105/step, 3.89086 hours remaining, 205.449219 MB of memory in use. ENERGY: 317000 725.5031 2087.1596 1924.1172 125.6040 -206732.5823 18016.3781 0.0000 0.0000 34101.5442 -149752.2760 297.8173 -183853.8203 -149656.2814 298.5430 -5.0742 27.8489 558064.3325 0.7614 0.6667 PRESSURE: 317200 -331.482 -133.986 79.6484 -133.986 101.73 -98.2936 79.6463 -98.2944 -1.66711 GPRESSURE: 317200 -313.545 -174.564 112.096 -180.613 162.778 -98.8682 113.737 -101.261 12.0869 PRESSAVG: 317200 -12.061 -19.5745 19.2221 -19.5746 50.9984 15.5998 19.2221 15.5998 -8.60815 GPRESSAVG: 317200 -12.195 -20.1746 19.2958 -17.7606 51.7103 16.3379 18.0037 16.3546 -9.22662 TIMING: 317200 CPU: 949.661, 0.00302227/step Wall: 949.661, 0.00302227/step, 3.93131 hours remaining, 205.449219 MB of memory in use. ENERGY: 317200 741.8859 2126.0018 1947.9806 115.1711 -206451.6077 17673.6900 0.0000 0.0000 34350.1181 -149496.7603 299.9881 -183846.8785 -149403.0452 298.5690 -77.1397 -46.2269 556663.8812 10.1098 10.0963 PRESSURE: 317400 -22.7741 183.033 59.7045 183.035 203.445 -41.5257 59.7046 -41.5261 130.475 GPRESSURE: 317400 8.91275 131.91 129.945 170.226 254.134 -23.201 48.8306 -62.0263 132.644 PRESSAVG: 317400 -23.0343 4.8295 11.7682 4.82954 46.4967 -29.7675 11.7683 -29.7675 -22.5039 GPRESSAVG: 317400 -22.984 7.07691 11.0069 2.13725 47.0858 -29.3519 14.9187 -30.7086 -23.4118 TIMING: 317400 CPU: 950.265, 0.00302263/step Wall: 950.265, 0.00302263/step, 3.9316 hours remaining, 205.449219 MB of memory in use. ENERGY: 317400 727.3394 2076.4182 1929.9406 101.7665 -206634.7296 18016.4343 0.0000 0.0000 34437.7392 -149345.0915 300.7533 -183782.8307 -149255.0660 298.5120 103.7151 131.8966 556693.8965 0.3195 0.2300 PRESSURE: 317600 82.1208 -133.187 46.8849 -133.188 -121.488 -76.0955 46.8829 -76.0954 -146.383 GPRESSURE: 317600 93.2022 -184.295 -55.5163 -115.48 -116.171 -55.1025 78.8099 -97.5638 -74.1154 PRESSAVG: 317600 -39.7094 -12.4996 4.35975 -12.4996 52.6796 -15.5505 4.3597 -15.5505 9.14301 GPRESSAVG: 317600 -39.7101 -13.0857 3.02935 -10.1249 51.981 -15.4076 2.7763 -16.4966 10.3691 TIMING: 317600 CPU: 950.87, 0.00302245/step Wall: 950.87, 0.00302245/step, 3.9312 hours remaining, 205.449219 MB of memory in use. ENERGY: 317600 720.5614 2053.4350 1962.4168 116.2711 -206181.7928 17695.8531 0.0000 0.0000 34171.9489 -149461.3065 298.4321 -183633.2554 -149368.9098 299.1871 -61.9167 -32.3613 557633.4168 7.3711 7.5466 PRESSURE: 317800 -53.9553 187.388 -57.5041 187.389 18.9153 142.563 -57.5041 142.563 -123.188 GPRESSURE: 317800 -2.86346 113.14 -73.9197 193.087 20.882 162.322 -144.926 81.3576 -78.7485 PRESSAVG: 317800 43.1471 -13.667 6.12799 -13.6671 -2.52193 -18.2993 6.12806 -18.2993 -26.2649 GPRESSAVG: 317800 43.7291 -12.1576 7.657 -14.5137 -3.29508 -17.582 4.07851 -19.1128 -25.9837 TIMING: 317800 CPU: 951.478, 0.00303772/step Wall: 951.478, 0.00303772/step, 3.9509 hours remaining, 205.449219 MB of memory in use. ENERGY: 317800 739.0014 2073.1431 1911.3177 108.9775 -206071.1236 17738.6452 0.0000 0.0000 34020.0888 -149479.9499 297.1059 -183500.0387 -149389.2547 298.5821 -52.7427 -20.2433 556056.7895 4.7868 4.8168 PRESSURE: 318000 -315.455 -50.699 -88.7058 -50.6996 -63.5727 6.45625 -88.7052 6.45671 -126.924 GPRESSURE: 318000 -255.092 -92.065 -99.6979 -62.3505 -44.0058 -37.2251 -11.7259 61.5598 -110.321 PRESSAVG: 318000 35.6083 13.5212 -43.7266 13.5212 -8.62754 73.7384 -43.7268 73.7382 13.9153 GPRESSAVG: 318000 35.3136 12.8777 -46.3145 12.9823 -7.92017 71.7097 -41.3406 74.8517 13.8711 TIMING: 318000 CPU: 952.086, 0.00304235/step Wall: 952.086, 0.00304235/step, 3.95675 hours remaining, 205.449219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 318000 732.0484 2090.5811 1940.6338 121.5284 -206157.9147 17598.6372 0.0000 0.0000 34157.8319 -149516.6538 298.3088 -183674.4857 -149422.2754 299.0671 -168.6508 -136.4731 557928.8410 13.6320 13.7548 PRESSURE: 318200 -85.8721 -5.03068 -62.4269 -5.03031 -338.311 -221.389 -62.4269 -221.389 126.811 GPRESSURE: 318200 -92.2097 55.1654 -128.454 -23.7817 -298.891 -264.87 50.6253 -158.038 183.308 PRESSAVG: 318200 5.72551 15.7145 8.17533 15.7145 -38.815 -13.7299 8.17536 -13.73 54.8118 GPRESSAVG: 318200 5.55925 15.124 9.69068 17.6213 -38.9369 -12.0567 8.628 -14.3062 54.7831 TIMING: 318200 CPU: 952.692, 0.00303051/step Wall: 952.692, 0.00303051/step, 3.94118 hours remaining, 205.449219 MB of memory in use. ENERGY: 318200 723.9765 2071.1663 1943.0709 118.9112 -206143.7951 17521.2271 0.0000 0.0000 34142.0708 -149623.3723 298.1712 -183765.4431 -149524.6195 298.1150 -99.1243 -69.2643 558043.5481 7.2408 7.1351 PRESSURE: 318400 -208.528 -18.7451 81.9273 -18.7453 75.764 85.1043 81.9264 85.1042 -86.0667 GPRESSURE: 318400 -150.487 -4.77143 136.051 -77.2717 100.67 41.7566 121.67 254.001 -60.3697 PRESSAVG: 318400 -40.32 28.3781 -3.68528 28.378 -29.349 -54.6868 -3.68529 -54.6868 12.1997 GPRESSAVG: 318400 -39.7017 29.6323 -5.94616 26.514 -29.4239 -54.4156 -2.03728 -54.0741 11.9687 TIMING: 318400 CPU: 953.297, 0.0030225/step Wall: 953.297, 0.0030225/step, 3.9306 hours remaining, 205.449219 MB of memory in use. ENERGY: 318400 713.9242 2007.4365 1963.8432 106.3628 -206439.0514 17878.5880 0.0000 0.0000 34111.7055 -149657.1912 297.9060 -183768.8968 -149557.2261 297.3555 -72.9435 -36.7290 557954.8940 -19.1564 -19.0523 PRESSURE: 318600 1.40068 -52.7559 66.0895 -52.7548 7.48509 -235.226 66.0885 -235.225 102.745 GPRESSURE: 318600 55.5034 -80.8324 44.7531 -70.0625 7.21253 -197.881 36.1559 -214.856 147.244 PRESSAVG: 318600 -48.8437 70.2009 26.2611 70.201 -28.2848 -39.0383 26.2611 -39.0382 78.9945 GPRESSAVG: 318600 -49.202 70.2953 27.8983 70.1707 -29.3073 -41.396 25.2247 -37.608 79.7997 TIMING: 318600 CPU: 953.897, 0.00300345/step Wall: 953.897, 0.00300345/step, 3.90565 hours remaining, 205.449219 MB of memory in use. ENERGY: 318600 732.2284 2035.8084 1956.6375 112.7281 -206421.1562 17920.3001 0.0000 0.0000 34104.6525 -149558.8012 297.8444 -183663.4538 -149465.2846 298.3407 37.2104 69.9865 557481.9575 0.6220 0.4301 PRESSURE: 318800 -17.8978 40.6218 -125.825 40.6203 333.102 187.275 -125.824 187.275 82.6296 GPRESSURE: 318800 19.2441 35.6339 -173.478 68.1088 380.621 115.007 -83.2978 162.614 112.423 PRESSAVG: 318800 -50.4284 3.53557 36.0822 3.53548 -27.7881 -7.67039 36.082 -7.67031 69.6733 GPRESSAVG: 318800 -50.5325 2.30672 36.9021 5.5375 -25.939 -5.83028 34.9885 -11.1539 68.3747 TIMING: 318800 CPU: 954.494, 0.00298421/step Wall: 954.494, 0.00298421/step, 3.88047 hours remaining, 205.449219 MB of memory in use. ENERGY: 318800 689.2337 2031.7335 1914.1184 108.1295 -206604.9620 18133.3560 0.0000 0.0000 34280.5399 -149447.8511 299.3805 -183728.3910 -149348.1665 298.5033 132.6112 170.7629 556236.1572 -2.8477 -2.6989 PRESSURE: 319000 -170.619 29.2127 2.11039 29.2118 -150.406 37.9911 2.11145 37.9906 -77.3939 GPRESSURE: 319000 -94.19 72.1291 158.484 -18.0528 -163.347 35.3639 23.9683 35.0135 -55.3603 PRESSAVG: 319000 -3.38954 -7.40839 -11.684 -7.40831 -61.7894 48.5343 -11.6841 48.5343 63.8438 GPRESSAVG: 319000 -3.01888 -6.42268 -11.5795 -8.40343 -62.3855 45.9389 -10.7855 50.649 63.9416 TIMING: 319000 CPU: 955.101, 0.00303368/step Wall: 955.101, 0.00303368/step, 3.94463 hours remaining, 205.449219 MB of memory in use. ENERGY: 319000 734.1800 2023.1893 1933.4049 112.9381 -206293.4111 17771.2780 0.0000 0.0000 34327.2455 -149391.1753 299.7884 -183718.4208 -149291.6416 298.5375 -132.8061 -104.2993 558367.4608 -0.4451 -0.4876 PRESSURE: 319200 -7.81159 -27.478 -48.2557 -27.4775 133.034 -53.4803 -48.2563 -53.4799 80.3096 GPRESSURE: 319200 38.9611 -65.6944 -125.327 32.3983 164.64 -57.3309 5.61623 52.5684 98.9665 PRESSAVG: 319200 -45.27 4.52081 1.14302 4.52071 -13.4179 -4.60893 1.14298 -4.60871 70.6789 GPRESSAVG: 319200 -45.7479 4.40246 -0.21575 4.25077 -12.4376 -2.67318 0.625183 -4.70988 70.3541 TIMING: 319200 CPU: 955.707, 0.00303044/step Wall: 955.707, 0.00303044/step, 3.94024 hours remaining, 205.449219 MB of memory in use. ENERGY: 319200 708.4217 2126.6185 1930.6180 112.3361 -206301.9753 17949.6006 0.0000 0.0000 34083.1278 -149391.2526 297.6564 -183474.3803 -149296.5425 299.1646 68.5107 100.8557 557719.0456 3.9970 4.0562 PRESSURE: 319400 88.1723 72.559 -133.365 72.5573 126.322 -110.477 -133.365 -110.476 125.551 GPRESSURE: 319400 98.4109 122.546 -135.563 29.3401 190.313 -57.5846 -73.8584 -55.1926 149.878 PRESSAVG: 319400 17.0179 -13.3285 32.5503 -13.3284 0.37133 13.0989 32.5502 13.0989 -3.30257 GPRESSAVG: 319400 17.34 -13.855 34.4479 -12.8253 -0.698956 13.8288 32.0036 12.1929 -2.49842 TIMING: 319400 CPU: 956.313, 0.00302963/step Wall: 956.313, 0.00302963/step, 3.93903 hours remaining, 205.449219 MB of memory in use. ENERGY: 319400 752.9889 2037.6172 1967.5627 103.1154 -206355.8135 18038.2383 0.0000 0.0000 34121.2174 -149335.0737 297.9891 -183456.2910 -149235.5433 299.1336 113.3484 146.2005 558692.6414 4.6955 4.7142 PRESSURE: 319600 6.32946 23.3454 80.9048 23.3459 208.675 -203.257 80.9036 -203.256 -171.784 GPRESSURE: 319600 45.5587 -17.9125 54.4434 95.2671 163.881 -191.033 118.214 -194.617 -77.9525 PRESSAVG: 319600 25.4151 -7.43529 -21.1257 -7.43535 15.9895 -20.341 -21.1258 -20.3408 -65.2475 GPRESSAVG: 319600 25.4907 -8.22593 -23.8559 -7.2275 15.6538 -20.9109 -20.5868 -20.3638 -64.9333 TIMING: 319600 CPU: 956.919, 0.00303148/step Wall: 956.919, 0.00303148/step, 3.94126 hours remaining, 205.449219 MB of memory in use. ENERGY: 319600 736.2914 1999.6729 1958.7970 107.9194 -206309.5825 17962.7992 0.0000 0.0000 34043.6577 -149500.4449 297.3117 -183544.1026 -149408.6901 298.2331 14.4068 43.8290 558501.1873 -7.9476 -7.9296 PRESSURE: 319800 -153.589 63.4127 -30.5814 63.4124 -130.463 138.462 -30.5803 138.461 -203.055 GPRESSURE: 319800 -124.544 44.7527 -10.0122 -32.6525 -136.231 118.03 -0.00768951 123.306 -131.062 PRESSAVG: 319800 58.9572 21.3673 12.8373 21.3673 -6.97275 -12.116 12.8373 -12.1159 -67.4745 GPRESSAVG: 319800 58.4878 21.9323 14.6292 22.5013 -5.66417 -11.8304 13.1167 -13.4811 -67.8869 TIMING: 319800 CPU: 957.528, 0.0030452/step Wall: 957.528, 0.0030452/step, 3.95893 hours remaining, 205.449219 MB of memory in use. ENERGY: 319800 753.7202 2084.9275 1962.2185 110.6064 -206255.5922 17811.0358 0.0000 0.0000 34056.8600 -149476.2237 297.4270 -183533.0837 -149384.0923 297.6001 -162.3688 -130.6123 559538.9534 -5.1633 -5.0211 PRESSURE: 320000 172.58 7.66705 -29.3711 7.66746 90.8479 -104.37 -29.371 -104.371 -46.6381 GPRESSURE: 320000 246.903 -70.454 -55.536 -36.9833 98.5624 15.387 13.8491 -79.1464 -47.4781 PRESSAVG: 320000 -4.07197 -2.80705 54.2107 -2.80702 5.81979 -17.3783 54.2108 -17.3784 -12.9931 GPRESSAVG: 320000 -3.90564 -4.49209 52.5751 -2.28135 5.08186 -17.3588 54.4718 -17.2883 -12.2381 TIMING: 320000 CPU: 958.144, 0.00307793/step Wall: 958.144, 0.00307793/step, 4.00132 hours remaining, 205.449219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 320000 749.7157 2058.5010 1928.0364 110.0388 -206626.2374 17949.7186 0.0000 0.0000 34343.4696 -149486.7574 299.9301 -183830.2270 -149391.6050 298.3796 72.2634 99.3290 557117.4056 -3.7484 -3.6873 PRESSURE: 320200 -162.856 -145.246 109.18 -145.247 -85.6642 45.3292 109.181 45.3295 24.529 GPRESSURE: 320200 -94.2133 -109.08 117.044 -186.336 -88.8954 85.9656 97.9888 54.9026 60.0622 PRESSAVG: 320200 14.0437 -49.7076 96.2617 -49.7076 -34.9685 0.545256 96.2618 0.545136 46.5383 GPRESSAVG: 320200 14.2628 -47.3165 96.2502 -51.3026 -34.3418 0.667362 95.0433 0.76997 45.8699 TIMING: 320200 CPU: 958.752, 0.0030406/step Wall: 958.752, 0.0030406/step, 3.95262 hours remaining, 205.449219 MB of memory in use. ENERGY: 320200 736.5510 2060.3510 1940.9071 105.3299 -206511.0789 17858.0890 0.0000 0.0000 34144.2229 -149665.6281 298.1900 -183809.8510 -149573.1314 298.5014 -74.6636 -41.0155 557452.6324 8.5378 8.5970 LDB: ============= START OF LOAD BALANCING ============== 962.271 LDB: ============== END OF LOAD BALANCING =============== 962.271 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 962.273 LDB: ============= START OF LOAD BALANCING ============== 962.579 LDB: Largest compute 4773 load 0.032855 is 27.9% of average load 0.117794 LDB: Average compute 0.001734 is 1.5% of average load 0.117794 LDB: TIME 962.581 LOAD: AVG 0.117794 MAX 0.213529 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.035 MB LDB: TIME 962.581 LOAD: AVG 0.117794 MAX 0.213529 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.043 MB LDB: TIME 962.581 LOAD: AVG 0.117794 MAX 0.213529 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.043 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 962.583 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 962.588 PRESSURE: 320400 -166.991 -261.941 33.0221 -261.94 57.3814 -31.1786 33.0229 -31.1781 396.175 GPRESSURE: 320400 -164.713 -303.415 27.3068 -200.274 64.653 -127.934 34.8534 -32.1073 473.594 PRESSAVG: 320400 13.471 29.86 22.0561 29.8599 -44.848 35.8974 22.0561 35.8973 14.9144 GPRESSAVG: 320400 12.521 29.1878 23.8969 31.9051 -43.1118 35.4651 20.8267 36.1646 14.4989 TIMING: 320400 CPU: 959.371, 0.00309644/step Wall: 959.371, 0.00309644/step, 4.02502 hours remaining, 205.839844 MB of memory in use. ENERGY: 320400 731.9254 2063.0155 1937.3846 105.3437 -206742.0242 18094.8455 0.0000 0.0000 34205.0625 -149604.4471 298.7213 -183809.5096 -149509.9079 298.7256 95.5219 124.5114 558333.6082 -5.4875 -5.3640 PRESSURE: 320600 -225.166 -40.1091 -46.9905 -40.1094 -148.634 -38.923 -46.9899 -38.9233 79.7936 GPRESSURE: 320600 -205.195 -84.9085 -26.3809 -63.4165 -60.6918 -29.8445 -42.7843 -53.8621 63.0927 PRESSAVG: 320600 18.7961 -33.3115 60.9973 -33.3114 4.84762 -46.4568 60.9973 -46.4567 -16.2041 GPRESSAVG: 320600 20.1245 -32.3947 60.1845 -33.9092 3.70725 -46.6229 62.0117 -46.9972 -16.5568 TIMING: 320600 CPU: 959.979, 0.00304051/step Wall: 959.979, 0.00304051/step, 3.95216 hours remaining, 206.042969 MB of memory in use. ENERGY: 320600 736.7142 2085.1993 1931.1072 122.9744 -206376.3410 17781.3313 0.0000 0.0000 34169.6597 -149549.3549 298.4121 -183719.0146 -149452.9787 298.0880 -98.0024 -67.5979 557819.6730 2.4799 2.4250 PRESSURE: 320800 -313.694 51.7005 132.647 51.7003 -318.597 162.457 132.648 162.458 -23.3982 GPRESSURE: 320800 -252.627 58.9643 274.978 -39.4389 -290.485 87.563 162.264 211.497 3.96329 PRESSAVG: 320800 -30.2314 -48.0253 4.72459 -48.0253 -12.1792 16.7828 4.72442 16.7828 39.5466 GPRESSAVG: 320800 -30.1851 -48.0371 6.00501 -49.1907 -13.0109 17.0975 4.98713 17.2752 40.0493 TIMING: 320800 CPU: 960.583, 0.00301935/step Wall: 960.583, 0.00301935/step, 3.92448 hours remaining, 206.042969 MB of memory in use. ENERGY: 320800 773.2835 2044.6581 1951.1718 112.1035 -206239.9815 17633.0908 0.0000 0.0000 34145.2895 -149580.3844 298.1993 -183725.6739 -149487.9372 297.7481 -218.5629 -179.7164 558913.2113 -0.9547 -1.0489 PRESSURE: 321000 -65.1201 61.8232 0.275134 61.8222 -67.7459 2.1673 0.275749 2.16673 -173.537 GPRESSURE: 321000 -16.5522 5.26757 -23.007 47.1055 -36.5184 -22.3049 -19.2188 -54.3347 -174.423 PRESSAVG: 321000 -22.1454 -20.0746 16.4893 -20.0746 15.2946 -20.716 16.4892 -20.716 49.3687 GPRESSAVG: 321000 -21.533 -21.7748 15.0739 -19.7503 14.9822 -19.7206 17.9022 -22.0313 48.862 TIMING: 321000 CPU: 961.193, 0.00305045/step Wall: 961.193, 0.00305045/step, 3.96474 hours remaining, 206.042969 MB of memory in use. ENERGY: 321000 734.5718 2147.2394 1936.6629 105.8769 -206483.9175 17798.3136 0.0000 0.0000 34197.1302 -149564.1228 298.6520 -183761.2529 -149479.6660 298.2908 -102.1342 -75.8311 558000.0052 14.1726 14.1037 PRESSURE: 321200 -150.326 -76.0631 100.887 -76.0616 -219.087 47.6805 100.887 47.6802 105.739 GPRESSURE: 321200 -172.553 -153.645 211.082 5.37697 -132.335 77.4127 123.231 -9.80935 133.956 PRESSAVG: 321200 -39.0473 -61.1635 14.3992 -61.1635 -21.8604 -39.4653 14.3992 -39.4653 53.57 GPRESSAVG: 321200 -39.0272 -61.4734 13.9463 -58.0397 -22.0495 -40.3969 13.161 -36.8089 53.6807 TIMING: 321200 CPU: 961.798, 0.00302174/step Wall: 961.798, 0.00302174/step, 3.92726 hours remaining, 206.042969 MB of memory in use. ENERGY: 321200 728.5479 2060.7325 1960.0992 120.0671 -205840.2901 17528.6626 0.0000 0.0000 33873.9925 -149568.1883 295.8300 -183442.1809 -149472.2842 297.4407 -87.8912 -56.9775 557736.5752 -2.4459 -2.4653 PRESSURE: 321400 -138.728 24.3071 37.3264 24.3072 182.938 -96.1237 37.3253 -96.1242 -132.427 GPRESSURE: 321400 -109.265 151.53 117.531 -62.4424 234.317 -169.221 -30.0132 -43.3032 -109.812 PRESSAVG: 321400 71.4341 -32.8382 13.4869 -32.8381 -39.716 -71.0565 13.487 -71.0565 -39.8082 GPRESSAVG: 321400 71.426 -30.794 14.8863 -35.2279 -39.9228 -71.224 13.0589 -71.0342 -39.4887 TIMING: 321400 CPU: 962.406, 0.00303976/step Wall: 962.406, 0.00303976/step, 3.95051 hours remaining, 206.042969 MB of memory in use. ENERGY: 321400 757.2633 2088.6583 1912.1185 124.0623 -206298.5752 18028.1075 0.0000 0.0000 33929.2134 -149459.1519 296.3123 -183388.3653 -149366.8730 297.9918 -29.4056 5.0799 558794.5756 -2.6967 -2.6619 PRESSURE: 321600 -235.213 -95.1179 51.6959 -95.1175 88.7973 -182.456 51.6961 -182.455 -157.613 GPRESSURE: 321600 -116.515 -160.25 72.0666 -94.33 87.0018 -238.973 66.657 -206.023 -176.849 PRESSAVG: 321600 -1.3654 -40.2048 15.9065 -40.2049 -20.0155 19.5356 15.9065 19.5357 56.7015 GPRESSAVG: 321600 -2.50767 -41.9182 13.6259 -40.0259 -20.5941 19.8517 17.1088 19.6284 57.7636 TIMING: 321600 CPU: 963.007, 0.00300823/step Wall: 963.007, 0.00300823/step, 3.90936 hours remaining, 206.042969 MB of memory in use. ENERGY: 321600 761.4951 2042.1979 1946.5745 106.0016 -206191.0604 17733.2867 0.0000 0.0000 34311.8834 -149289.6211 299.6542 -183601.5045 -149202.7225 298.6960 -101.3431 -68.7876 558505.8291 11.7735 11.5539 PRESSURE: 321800 106.493 -21.4109 -190.577 -21.4097 307.526 41.2496 -190.578 41.249 67.107 GPRESSURE: 321800 168.668 -64.4377 -182.993 3.92595 287.637 93.3289 -125.946 27.1308 116.13 PRESSAVG: 321800 5.74758 -9.45726 -45.9912 -9.45724 -14.6133 -3.7202 -45.9911 -3.72018 17.3216 GPRESSAVG: 321800 6.37593 -9.76105 -44.9825 -8.51101 -13.4872 -5.60092 -44.9985 -4.41449 15.6041 TIMING: 321800 CPU: 963.614, 0.00303571/step Wall: 963.614, 0.00303571/step, 3.94491 hours remaining, 206.042969 MB of memory in use. ENERGY: 321800 712.9440 2078.9188 1925.8199 109.6638 -206483.6127 18057.9757 0.0000 0.0000 34255.7831 -149342.5073 299.1643 -183598.2904 -149256.3363 299.7330 160.3754 190.8119 556327.0806 2.8186 2.8309 PRESSURE: 322000 224.671 -98.2233 8.90933 -98.2235 -119.397 23.0968 8.90941 23.0957 51.8537 GPRESSURE: 322000 280.245 -117.882 -21.5474 -82.7582 -83.588 35.5812 15.4836 74.61 44.6671 PRESSAVG: 322000 -10.3491 32.8081 -3.30222 32.8081 13.0361 -16.3588 -3.3022 -16.3587 -11.9147 GPRESSAVG: 322000 -10.0975 33.031 -4.74246 31.5535 12.0742 -13.7827 -3.84547 -16.4004 -11.5078 TIMING: 322000 CPU: 964.218, 0.0030166/step Wall: 964.218, 0.0030166/step, 3.9199 hours remaining, 206.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 322000 727.1489 2087.1244 1916.5196 118.6647 -206319.9436 17951.7427 0.0000 0.0000 34220.5626 -149298.1805 298.8567 -183518.7431 -149210.9173 298.9683 52.3759 80.4415 557593.5422 -3.0759 -3.1770 PRESSURE: 322200 73.095 44.4128 -161.854 44.412 53.7814 -44.7345 -161.853 -44.734 -140.85 GPRESSURE: 322200 90.4917 96.1911 -119.751 18.4795 73.4928 -36.0146 -157.452 33.4305 -75.9267 PRESSAVG: 322200 73.5326 18.4399 -48.1784 18.4399 -7.16118 -41.6498 -48.1785 -41.6497 -67.209 GPRESSAVG: 322200 73.6253 18.8039 -47.9437 17.1909 -8.02871 -42.2693 -49.0261 -41.2676 -66.7953 TIMING: 322200 CPU: 964.816, 0.00299178/step Wall: 964.816, 0.00299178/step, 3.88748 hours remaining, 206.042969 MB of memory in use. ENERGY: 322200 737.2566 2090.0564 1953.2445 117.6394 -205965.5952 17739.2665 0.0000 0.0000 34026.9955 -149301.1362 297.1662 -183328.1317 -149206.1828 298.6761 -4.6579 29.3526 556917.4050 -0.2792 -0.3996 PRESSURE: 322400 -76.292 2.65163 -0.237084 2.65125 -230.225 -78.8006 -0.236309 -78.8012 -327.966 GPRESSURE: 322400 -61.9657 101.303 -44.6039 -53.309 -221.18 -122.667 51.697 -124.788 -243.827 PRESSAVG: 322400 43.7068 -8.87339 -2.22147 -8.87342 19.9771 -19.5373 -2.22143 -19.5374 -30.7809 GPRESSAVG: 322400 42.4366 -8.01289 0.804872 -8.57963 21.5794 -19.2276 -3.16683 -20.1064 -31.695 TIMING: 322400 CPU: 965.419, 0.00301701/step Wall: 965.419, 0.00301701/step, 3.9201 hours remaining, 206.042969 MB of memory in use. ENERGY: 322400 765.1583 2087.1961 1937.8526 118.0044 -206069.9675 17626.3135 0.0000 0.0000 34335.4245 -149200.0182 299.8598 -183535.4426 -149107.1807 298.4701 -211.4942 -175.6578 558809.3967 10.9677 10.7737 PRESSURE: 322600 19.9332 -141.769 302.153 -141.769 158.148 11.0532 302.154 11.053 -380.005 GPRESSURE: 322600 55.8784 -191.314 280.162 -114.801 194.533 -49.4857 243.309 21.8215 -341.024 PRESSAVG: 322600 7.34579 36.0882 -74.1246 36.0883 13.7043 -26.8998 -74.1245 -26.8998 -65.8 GPRESSAVG: 322600 7.09565 34.085 -74.1607 35.5462 13.7569 -28.4825 -73.4728 -24.4556 -65.3167 TIMING: 322600 CPU: 966.023, 0.0030172/step Wall: 966.023, 0.0030172/step, 3.92019 hours remaining, 206.042969 MB of memory in use. ENERGY: 322600 777.8723 2072.5432 1966.0747 109.0102 -206466.2794 17959.0230 0.0000 0.0000 34505.2696 -149076.4865 301.3431 -183581.7560 -148977.9579 299.0288 -67.3080 -30.2040 557888.9303 -14.9166 -14.8214 PRESSURE: 322800 -90.0996 54.26 -95.8404 54.261 -115.456 -58.882 -95.8412 -58.8809 369.098 GPRESSURE: 322800 -92.0099 55.3637 -61.4601 42.3169 -77.3443 -63.0939 -43.9995 -144.551 431.355 PRESSAVG: 322800 26.1995 35.3102 11.0659 35.3102 -8.04317 -20.8043 11.066 -20.8044 -23.1706 GPRESSAVG: 322800 26.2515 35.8371 8.71999 36.4909 -8.2142 -21.6287 11.4935 -21.6308 -22.6553 TIMING: 322800 CPU: 966.624, 0.00300327/step Wall: 966.624, 0.00300327/step, 3.90191 hours remaining, 206.042969 MB of memory in use. ENERGY: 322800 728.8653 2064.7466 1919.6792 118.9010 -206027.4070 17754.3968 0.0000 0.0000 34453.0698 -148987.7482 300.8872 -183440.8181 -148880.1656 299.7906 54.5142 87.3335 558214.7218 -1.6714 -1.5393 PRESSURE: 323000 -238.015 -60.2518 -174.957 -60.2521 -102.452 67.8975 -174.958 67.8964 -154.663 GPRESSURE: 323000 -182.267 -93.3585 -142.263 -56.8464 -124.238 6.13585 -111.942 130.42 -90.344 PRESSAVG: 323000 29.9172 17.8618 -42.4847 17.8618 5.30666 -11.0759 -42.4848 -11.0759 -22.5962 GPRESSAVG: 323000 30.4338 20.0833 -40.4622 17.3606 5.11563 -12.9066 -43.5574 -10.2287 -23.0238 TIMING: 323000 CPU: 967.22, 0.00298127/step Wall: 967.22, 0.00298127/step, 3.87316 hours remaining, 206.042969 MB of memory in use. ENERGY: 323000 731.0526 2132.6750 1932.2906 117.0677 -205703.7317 17492.2194 0.0000 0.0000 34383.4754 -148914.9510 300.2794 -183298.4263 -148817.9550 300.3696 -165.0433 -132.2830 559755.0295 4.2092 4.1752 PRESSURE: 323200 82.95 -12.5816 36.4703 -12.5821 -17.1459 -54.6015 36.4704 -54.6013 95.387 GPRESSURE: 323200 76.8991 42.0258 65.5707 -138.936 63.8433 -57.7371 19.0413 -32.3974 111.553 PRESSAVG: 323200 41.2611 -36.7156 8.18528 -36.7156 18.1596 -10.9115 8.18522 -10.9115 11.4638 GPRESSAVG: 323200 40.4604 -39.1006 6.7611 -35.6018 18.9986 -7.34109 8.85886 -12.9216 11.948 TIMING: 323200 CPU: 967.822, 0.00301017/step Wall: 967.822, 0.00301017/step, 3.91055 hours remaining, 206.042969 MB of memory in use. ENERGY: 323200 768.5271 2102.7571 1959.3629 117.6278 -206348.5377 17934.4473 0.0000 0.0000 34402.2431 -149063.5724 300.4433 -183465.8154 -148961.1634 299.9553 53.7304 84.0985 557038.6937 23.6282 23.8023 PRESSURE: 323400 222.706 22.9592 84.3783 22.9578 -127.507 -121.853 84.3774 -121.854 -50.4086 GPRESSURE: 323400 250.748 -24.1986 0.694343 23.3237 -36.0475 -161.168 159.966 -38.2757 -62.1401 PRESSAVG: 323400 60.294 -22.8411 -12.045 -22.8411 3.83522 28.7407 -12.0449 28.7408 -58.9365 GPRESSAVG: 323400 61.8881 -22.7667 -12.8362 -22.9145 2.77109 27.0026 -11.02 29.5567 -59.0717 TIMING: 323400 CPU: 968.426, 0.00302258/step Wall: 968.426, 0.00302258/step, 3.9265 hours remaining, 206.042969 MB of memory in use. ENERGY: 323400 693.7413 2120.1262 1947.1460 117.9324 -205772.6002 17781.1592 0.0000 0.0000 34000.0699 -149112.4251 296.9311 -183112.4950 -149014.7712 299.0515 14.9299 50.8536 558781.4464 1.7309 1.8625 PRESSURE: 323600 -103.607 149.09 88.7963 149.09 76.5416 -53.8641 88.7958 -53.8637 -190.043 GPRESSURE: 323600 -28.6732 203.586 102.721 88.4683 63.098 31.551 116.226 -63.0543 -140.705 PRESSAVG: 323600 17.4123 -5.57613 26.3213 -5.57618 26.4362 37.3889 26.3214 37.3889 -27.3927 GPRESSAVG: 323600 17.0713 -4.26791 26.2213 -4.90722 26.4606 39.069 25.8419 37.9308 -27.2031 TIMING: 323600 CPU: 969.035, 0.00304451/step Wall: 969.035, 0.00304451/step, 3.95482 hours remaining, 206.042969 MB of memory in use. ENERGY: 323600 756.0905 2071.4346 1933.8434 120.3054 -205981.4953 17606.4946 0.0000 0.0000 34406.1300 -149087.1968 300.4773 -183493.3268 -148984.0982 299.8191 -72.3694 -35.4268 556756.2653 5.4853 5.4429 PRESSURE: 323800 -124.91 72.1629 26.0654 72.1631 -261.222 -110.901 26.0649 -110.9 -89.6453 GPRESSURE: 323800 -118.474 51.7521 -63.6075 120.015 -232.001 -85.5779 38.8559 -188.824 -16.3179 PRESSAVG: 323800 53.195 3.47548 44.7616 3.47547 25.8683 -57.6806 44.7616 -57.6806 -33.0145 GPRESSAVG: 323800 52.1367 2.30154 44.8865 4.41102 26.3917 -56.9783 44.1023 -59.3592 -32.8722 TIMING: 323800 CPU: 969.64, 0.00302402/step Wall: 969.64, 0.00302402/step, 3.92803 hours remaining, 206.042969 MB of memory in use. ENERGY: 323800 775.8057 2049.2783 1957.7214 113.3323 -205772.4117 17721.5050 0.0000 0.0000 34170.4999 -148984.2692 298.4195 -183154.7691 -148892.4582 299.7570 -158.5925 -122.2642 558758.1876 15.3496 15.2187 PRESSURE: 324000 -23.4258 -63.9227 74.2448 -63.9214 -102.664 -2.54907 74.2451 -2.54823 73.8987 GPRESSURE: 324000 -0.0449207 -127.715 44.4087 -59.1994 -65.0994 -114.657 32.6565 12.7862 107.609 PRESSAVG: 324000 39.9241 -12.3239 -22.24 -12.3238 -11.9884 -67.1502 -22.2399 -67.1501 -54.4596 GPRESSAVG: 324000 40.8094 -11.0708 -23.689 -12.6255 -12.2908 -70.0275 -21.158 -66.8084 -55.3324 TIMING: 324000 CPU: 970.243, 0.00301402/step Wall: 970.243, 0.00301402/step, 3.91488 hours remaining, 206.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 324000 754.2578 2121.4601 1956.9502 122.9748 -205797.4715 17712.5928 0.0000 0.0000 34017.2943 -149111.9414 297.0815 -183129.2357 -149015.8633 298.6373 -17.3972 14.1549 559353.5396 -8.8413 -8.9379 PRESSURE: 324200 -44.5098 60.2621 -80.0223 60.2622 176.714 38.8219 -80.0228 38.8209 95.5478 GPRESSURE: 324200 36.4096 -1.88722 -168.526 70.451 167.52 47.7641 -57.7499 -47.2963 122.722 PRESSAVG: 324200 -7.23922 3.28164 -1.92911 3.28166 -13.8488 -8.19748 -1.92906 -8.19744 -5.53921 GPRESSAVG: 324200 -8.56559 2.49633 -1.33815 2.3489 -13.3208 -7.53038 -3.81644 -6.77465 -5.12859 TIMING: 324200 CPU: 970.842, 0.00299721/step Wall: 970.842, 0.00299721/step, 3.89288 hours remaining, 206.042969 MB of memory in use. ENERGY: 324200 732.1169 2091.3885 1962.5595 112.5394 -206454.9690 18153.6771 0.0000 0.0000 34223.1007 -149179.5869 298.8789 -183402.6876 -149081.8518 299.0094 75.9172 108.8838 559071.8456 -8.8758 -9.0050 LDB: ============= START OF LOAD BALANCING ============== 974.361 LDB: ============== END OF LOAD BALANCING =============== 974.361 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 974.363 LDB: ============= START OF LOAD BALANCING ============== 974.664 LDB: Largest compute 4773 load 0.030248 is 25.7% of average load 0.117856 LDB: Average compute 0.001734 is 1.5% of average load 0.117856 LDB: TIME 974.667 LOAD: AVG 0.117856 MAX 0.212987 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.75 MB LDB: TIME 974.667 LOAD: AVG 0.117856 MAX 0.212987 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.75 MB LDB: TIME 974.667 LOAD: AVG 0.117856 MAX 0.212987 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.75 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 974.669 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 974.673 PRESSURE: 324400 -40.8285 15.1164 193.274 15.1166 -154.465 50.1035 193.273 50.1022 77.3084 GPRESSURE: 324400 -30.1437 27.9737 242.095 92.5546 -102.848 29.1867 193.009 76.1271 114.661 PRESSAVG: 324400 -0.518897 60.9071 -7.74378 60.9071 16.8459 -47.1631 -7.74368 -47.1631 -39.9627 GPRESSAVG: 324400 -0.839887 58.5383 -6.55873 62.8389 17.1978 -44.5499 -8.70445 -49.2429 -40.0546 TIMING: 324400 CPU: 971.457, 0.00307173/step Wall: 971.457, 0.00307173/step, 3.98949 hours remaining, 206.453125 MB of memory in use. ENERGY: 324400 746.2464 2110.9631 1922.1445 103.6171 -206005.8514 17697.6970 0.0000 0.0000 34203.1088 -149222.0745 298.7043 -183425.1833 -149124.3076 299.0295 -39.3283 -6.1103 558212.4068 -7.8786 -7.8989 PRESSURE: 324600 -28.969 -18.9028 143.709 -18.9029 37.0546 -98.5091 143.709 -98.5111 -111.931 GPRESSURE: 324600 45.3078 -80.2833 113.394 61.1864 -3.52331 -168.852 85.3782 -99.7857 -57.2759 PRESSAVG: 324600 41.3569 45.7684 17.6823 45.7684 -62.2213 -2.52602 17.6824 -2.52608 50.7699 GPRESSAVG: 324600 41.4228 49.6326 17.497 43.2793 -63.8076 -4.77074 20.0571 -2.58714 51.5993 TIMING: 324600 CPU: 972.063, 0.00303123/step Wall: 972.063, 0.00303123/step, 3.93672 hours remaining, 206.453125 MB of memory in use. ENERGY: 324600 727.2705 2085.3896 1955.8300 102.8880 -206260.3076 17796.8580 0.0000 0.0000 34275.7266 -149316.3449 299.3384 -183592.0716 -149220.2895 298.9580 -34.6151 -5.1638 558122.2342 9.9685 9.7382 PRESSURE: 324800 313.107 101.646 -89.3933 101.648 188.832 -61.1572 -89.3937 -61.1581 58.2705 GPRESSURE: 324800 333.083 100.377 -34.458 81.9429 176.882 -12.1386 -118.608 -62.2432 170.309 PRESSAVG: 324800 34.5321 -13.2746 26.8103 -13.2744 -31.8442 -41.2895 26.8104 -41.2895 17.4244 GPRESSAVG: 324800 34.6773 -12.5686 26.1415 -13.3039 -31.6811 -42.205 27.5558 -38.3714 17.8238 TIMING: 324800 CPU: 972.664, 0.00300508/step Wall: 972.664, 0.00300508/step, 3.9026 hours remaining, 206.453125 MB of memory in use. ENERGY: 324800 767.8165 2060.9117 1948.6280 107.7098 -206516.6631 18198.2346 0.0000 0.0000 34138.1378 -149295.2247 298.1368 -183433.3625 -149204.2751 298.7313 186.7366 226.7581 556561.6690 6.7041 6.9400 PRESSURE: 325000 34.7356 -124.144 66.19 -124.144 -52.1647 140.299 66.1883 140.299 -313.622 GPRESSURE: 325000 35.7524 -139.055 57.1865 -152.067 -23.2139 84.8605 135.114 191.94 -237.761 PRESSAVG: 325000 -17.0389 -56.6549 14.5141 -56.6549 7.5746 -10.9211 14.5141 -10.9211 -4.91738 GPRESSAVG: 325000 -17.4638 -58.8028 13.7618 -55.4088 8.78035 -10.0502 14.3919 -12.0943 -5.42525 TIMING: 325000 CPU: 973.267, 0.00301664/step Wall: 973.267, 0.00301664/step, 3.91744 hours remaining, 206.453125 MB of memory in use. ENERGY: 325000 750.6003 2096.5796 1929.7890 121.2342 -206321.4965 17734.8226 0.0000 0.0000 34340.1342 -149348.3366 299.9009 -183688.4708 -149252.1645 298.8692 -110.3503 -75.0743 557209.3978 -4.7939 -4.7029 PRESSURE: 325200 -143.815 63.0192 61.446 63.0197 -80.6307 -41.025 61.4454 -41.0246 39.3724 GPRESSURE: 325200 -131.797 65.5598 25.1052 95.1271 -77.1486 -85.1399 97.8048 -50.0099 130.387 PRESSAVG: 325200 2.94716 27.8683 -15.8111 27.8684 7.77886 -34.6206 -15.811 -34.6205 41.6741 GPRESSAVG: 325200 4.16689 26.687 -14.4152 29.6383 7.15227 -34.198 -17.4924 -35.283 40.5835 TIMING: 325200 CPU: 973.874, 0.00303241/step Wall: 973.874, 0.00303241/step, 3.93775 hours remaining, 206.453125 MB of memory in use. ENERGY: 325200 719.2767 2112.3558 1924.2251 108.2082 -206269.4827 17700.2722 0.0000 0.0000 34427.6207 -149277.5239 300.6650 -183705.1446 -149183.5779 299.0619 -61.6910 -26.1863 557289.1843 17.4667 17.3009 PRESSURE: 325400 -32.3395 41.7113 2.24378 41.7109 -26.7181 -80.5708 2.24456 -80.5707 -269.807 GPRESSURE: 325400 34.8743 47.7429 53.2574 95.4468 -5.27634 -4.08405 -9.37544 -19.1654 -266.155 PRESSAVG: 325400 11.5306 18.2507 -1.16617 18.2507 -16.7233 -54.7423 -1.16611 -54.7423 -7.29719 GPRESSAVG: 325400 10.814 19.5303 0.351921 15.5582 -17.359 -53.5863 -1.24008 -54.4056 -5.75185 TIMING: 325400 CPU: 974.479, 0.00302423/step Wall: 974.479, 0.00302423/step, 3.92696 hours remaining, 206.453125 MB of memory in use. ENERGY: 325400 732.6910 2074.5956 1965.6879 112.7207 -205759.3254 17540.3332 0.0000 0.0000 34122.4790 -149210.8180 298.0001 -183333.2970 -149112.8538 299.5374 -109.6214 -78.8523 558906.5502 -4.1633 -4.0990 PRESSURE: 325600 -107.514 -83.2585 -112.67 -83.2573 423.016 32.0001 -112.671 32 -17.2481 GPRESSURE: 325600 -29.9869 -92.6323 -166.419 -68.9608 424.467 16.9775 -171.396 -10.9424 4.71247 PRESSAVG: 325600 -27.4807 -5.21299 -49.761 -5.21294 45.068 -1.00705 -49.7611 -1.00696 -20.6338 GPRESSAVG: 325600 -26.8921 -5.6276 -51.1489 -3.40447 45.6296 -3.10948 -48.2629 0.308389 -21.0795 TIMING: 325600 CPU: 975.085, 0.00303024/step Wall: 975.085, 0.00303024/step, 3.93459 hours remaining, 206.453125 MB of memory in use. ENERGY: 325600 748.2540 2048.6387 1919.1502 99.9859 -206541.5552 18040.4124 0.0000 0.0000 34511.2828 -149173.8312 301.3956 -183685.1140 -149074.4575 299.2787 99.4180 133.0643 558000.1872 -1.0155 -0.7807 PRESSURE: 325800 -56.2538 38.0253 -120.5 38.0258 -87.3709 150.396 -120.5 150.397 -206.754 GPRESSURE: 325800 -2.67355 120.506 -179.356 56.6492 -92.1931 142.513 -107.816 167.095 -158.24 PRESSAVG: 325800 -57.0826 2.22683 -64.3344 2.22676 56.1826 40.3595 -64.3344 40.3595 39.9126 GPRESSAVG: 325800 -56.8353 3.74884 -64.4675 -0.188834 56.1936 41.0645 -64.7902 37.7298 39.9086 TIMING: 325800 CPU: 975.693, 0.00304258/step Wall: 975.693, 0.00304258/step, 3.95045 hours remaining, 206.453125 MB of memory in use. ENERGY: 325800 751.3583 1989.4321 1964.5164 121.2429 -205758.9775 17652.2048 0.0000 0.0000 34157.8898 -149122.3333 298.3093 -183280.2231 -149028.1696 299.4923 -116.7929 -84.3690 557203.1154 13.0042 13.0889 PRESSURE: 326000 -126.688 57.1888 84.9793 57.1877 -119.025 203.261 84.9801 203.26 -172.849 GPRESSURE: 326000 -89.124 106.228 48.0039 57.3067 -60.2546 202.284 61.8557 140.408 -180.007 PRESSAVG: 326000 -4.09622 24.3257 -19.9362 24.3258 -14.1423 39.9008 -19.9361 39.9009 37.5517 GPRESSAVG: 326000 -4.21048 23.2464 -19.4838 26.2408 -13.0592 38.8131 -21.6124 41.355 36.1465 TIMING: 326000 CPU: 976.297, 0.00301912/step Wall: 976.297, 0.00301912/step, 3.91983 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: 326000 764.2084 2115.3040 1961.0218 109.5275 -205978.1168 17607.9558 0.0000 0.0000 34100.3278 -149319.7714 297.8066 -183420.0992 -149225.2969 299.2566 -139.5206 -109.7951 556591.7056 6.4377 6.2923 PRESSURE: 326200 -259.362 21.497 -60.3739 21.4959 -189.516 -42.0477 -60.3749 -42.0477 -203.501 GPRESSURE: 326200 -288.679 -34.2949 -122.693 4.3022 -134.855 -9.26296 14.8157 -32.6428 -120.272 PRESSAVG: 326200 -73.4483 -3.04689 -28.9264 -3.04692 29.8044 -22.1194 -28.9264 -22.1194 48.8341 GPRESSAVG: 326200 -74.033 -3.25879 -28.888 -3.87066 29.7389 -20.9655 -27.6813 -22.4973 50.1036 TIMING: 326200 CPU: 976.889, 0.00296085/step Wall: 976.889, 0.00296085/step, 3.84401 hours remaining, 206.453125 MB of memory in use. ENERGY: 326200 739.2488 2009.9900 1936.7040 108.0249 -205738.2381 17422.6833 0.0000 0.0000 34273.6359 -149247.9513 299.3202 -183521.5872 -149157.7655 298.7936 -217.4595 -181.2684 558978.6812 1.7301 1.9365 PRESSURE: 326400 124.766 -144.426 -160.344 -144.426 12.7647 65.7793 -160.345 65.7798 -215.292 GPRESSURE: 326400 188.215 -188.227 -222.058 -126.618 50.4539 -32.8823 -43.3306 142.886 -204.56 PRESSAVG: 326400 -61.2598 -65.205 -55.1341 -65.205 3.52113 -39.3022 -55.1341 -39.3022 24.8267 GPRESSAVG: 326400 -61.5524 -64.2646 -53.555 -63.8802 3.85319 -38.471 -54.3956 -37.9034 24.9752 TIMING: 326400 CPU: 977.488, 0.00299631/step Wall: 977.488, 0.00299631/step, 3.88987 hours remaining, 206.453125 MB of memory in use. ENERGY: 326400 725.1936 2021.9837 1943.1597 106.0874 -206292.8149 17843.5535 0.0000 0.0000 34124.5043 -149528.3328 298.0178 -183652.8371 -149439.8976 299.0499 -25.9205 11.3697 557170.2294 -10.9707 -10.9080 PRESSURE: 326600 267.422 -69.5459 -63.8397 -69.5449 -6.55266 27.1368 -63.8401 27.1392 177.789 GPRESSURE: 326600 317.238 -106.168 -81.286 -82.4075 16.5753 -75.5353 -72.1478 59.5413 205.889 PRESSAVG: 326600 59.9414 -34.9999 -36.4056 -34.9999 -86.3759 -4.85458 -36.4055 -4.85453 49.1944 GPRESSAVG: 326600 59.7547 -36.1605 -40.3036 -36.6616 -85.8481 -7.20105 -37.2339 -6.39179 49.0672 TIMING: 326600 CPU: 978.092, 0.00301858/step Wall: 978.092, 0.00301858/step, 3.91862 hours remaining, 206.453125 MB of memory in use. ENERGY: 326600 742.4028 1987.0401 1926.5662 102.8883 -206693.4376 18162.8070 0.0000 0.0000 34099.0011 -149672.7320 297.7951 -183771.7331 -149580.5564 298.3454 146.2196 179.9008 558523.9084 7.5866 7.6579 PRESSURE: 326800 221.031 71.8258 2.67663 71.8263 199.347 59.1133 2.6786 59.1143 37.0524 GPRESSURE: 326800 200.039 32.2064 24.8151 87.0056 264.168 152.164 27.9243 -98.7152 88.1225 PRESSAVG: 326800 -3.90271 -5.59039 -1.99727 -5.59041 19.4111 -36.8689 -1.99716 -36.8689 3.16614 GPRESSAVG: 326800 -3.04778 -4.79019 -0.767668 -6.27988 19.2805 -35.8451 -2.21369 -35.0104 2.69786 TIMING: 326800 CPU: 978.688, 0.00297959/step Wall: 978.688, 0.00297959/step, 3.86783 hours remaining, 206.453125 MB of memory in use. ENERGY: 326800 738.0260 2035.5346 1945.9568 106.4745 -206863.1852 18126.2197 0.0000 0.0000 34319.7346 -149591.2390 299.7228 -183910.9736 -149493.8866 297.9917 152.4767 184.1097 556165.7035 6.2248 6.3102 PRESSURE: 327000 -49.3762 -253.522 32.3931 -253.523 -103.622 -60.7085 32.3932 -60.7075 -110.51 GPRESSURE: 327000 -17.1099 -249.666 54.7933 -256.354 -56.7243 -38.9522 9.12888 -90.3341 -90.8421 PRESSAVG: 327000 -35.7204 2.39741 18.5795 2.39734 27.9789 -28.4042 18.5794 -28.4041 -24.4188 GPRESSAVG: 327000 -35.1623 3.22427 20.5515 3.38255 27.2043 -26.82 17.9577 -29.6725 -24.0506 TIMING: 327000 CPU: 979.283, 0.00297367/step Wall: 979.283, 0.00297367/step, 3.85999 hours remaining, 206.453125 MB of memory in use. ENERGY: 327000 740.6506 2030.5661 1920.4983 116.9063 -206040.5279 17670.1057 0.0000 0.0000 34128.0701 -149433.7308 298.0489 -183561.8008 -149332.0980 297.4662 -87.8360 -54.8921 557347.2949 -10.7201 -10.6695 PRESSURE: 327200 -145.774 -62.2289 28.9273 -62.2303 -96.569 71.6263 28.9273 71.6265 -241.908 GPRESSURE: 327200 -77.908 -54.4624 -52.0737 -56.3525 -79.2131 45.2496 -8.93311 142.446 -228.449 PRESSAVG: 327200 -15.9652 -39.624 51.7247 -39.624 92.3625 -3.12272 51.7247 -3.12271 -8.03394 GPRESSAVG: 327200 -16.3785 -38.8669 50.4699 -39.9072 92.6774 -5.48217 51.5758 0.1527 -8.08439 TIMING: 327200 CPU: 979.88, 0.00298445/step Wall: 979.88, 0.00298445/step, 3.87382 hours remaining, 206.453125 MB of memory in use. ENERGY: 327200 736.3916 2049.4969 1929.5657 114.7251 -205697.1653 17360.8983 0.0000 0.0000 34138.0691 -149368.0186 298.1362 -183506.0877 -149276.1066 298.8405 -161.4172 -128.5233 557916.3531 22.7878 22.7382 PRESSURE: 327400 -313.33 177.186 36.148 177.187 268.299 -68.4529 36.1478 -68.453 156.87 GPRESSURE: 327400 -288.463 163.065 22.2648 96.8634 331.719 15.6826 23.7292 -115.838 167.186 PRESSAVG: 327400 -31.8853 -21.9457 3.04292 -21.9457 33.2215 -23.7031 3.04289 -23.703 -55.1826 GPRESSAVG: 327400 -31.0886 -20.6639 3.66797 -21.9093 33.0206 -24.6073 3.2192 -23.4512 -55.8589 TIMING: 327400 CPU: 980.483, 0.00301528/step Wall: 980.483, 0.00301528/step, 3.91367 hours remaining, 206.453125 MB of memory in use. ENERGY: 327400 730.2621 2092.8735 1944.0092 106.4202 -206244.2289 17825.7688 0.0000 0.0000 34230.4510 -149314.4440 298.9430 -183544.8951 -149224.2568 299.1114 37.2799 70.1475 555698.9448 -17.9488 -17.9756 PRESSURE: 327600 95.8092 56.0252 -22.0707 56.0263 39.2297 62.4555 -22.0704 62.4556 132.928 GPRESSURE: 327600 137.752 86.4532 -3.52469 25.5282 60.1421 -0.717002 20.5748 -3.77062 164.325 PRESSAVG: 327600 -29.1063 -2.98002 46.1323 -2.97999 62.2879 40.7019 46.1323 40.7019 -34.5875 GPRESSAVG: 327600 -29.3965 -7.14251 46.5422 -2.52523 61.4158 42.4413 46.105 35.7591 -33.3192 TIMING: 327600 CPU: 981.084, 0.00300767/step Wall: 981.084, 0.00300767/step, 3.90362 hours remaining, 206.453125 MB of memory in use. ENERGY: 327600 749.0738 2089.0208 1924.1332 114.0622 -206600.0560 18086.1866 0.0000 0.0000 34209.4301 -149428.1492 298.7595 -183637.5793 -149333.2093 299.1489 89.3223 120.7400 555587.0190 -0.4686 -0.4333 PRESSURE: 327800 184.304 185.603 109.848 185.603 266.482 -114.484 109.848 -114.483 44.621 GPRESSURE: 327800 236.835 115.977 44.1939 197.962 276.758 -144.624 185.773 -127.474 71.0808 PRESSAVG: 327800 -4.14633 -18.0372 29.8496 -18.0371 42.5321 -4.21388 29.8497 -4.21402 -17.3619 GPRESSAVG: 327800 -3.89268 -15.1702 27.2938 -19.411 43.9596 -3.64059 30.2209 -3.78168 -19.1676 TIMING: 327800 CPU: 981.689, 0.00302191/step Wall: 981.689, 0.00302191/step, 3.92193 hours remaining, 206.453125 MB of memory in use. ENERGY: 327800 723.5441 2032.3419 1963.9907 113.3867 -206623.4807 18137.6618 0.0000 0.0000 34324.9261 -149327.6293 299.7681 -183652.5555 -149222.0845 298.8083 165.1355 194.8913 555700.3758 7.0079 6.9664 PRESSURE: 328000 -54.9591 -56.2588 1.91039 -56.2585 69.3164 -202.358 1.90937 -202.359 -105.965 GPRESSURE: 328000 -2.75356 141.382 69.9918 -70.3143 40.2751 -167.024 -72.5019 -253.723 -46.0802 PRESSAVG: 328000 -54.8613 -62.1912 -15.6179 -62.1912 33.6475 -11.3532 -15.618 -11.3532 -4.34334 GPRESSAVG: 328000 -55.3186 -60.7371 -14.8696 -62.5975 33.5122 -12.0985 -15.0818 -10.6115 -3.28986 TIMING: 328000 CPU: 982.295, 0.00303439/step Wall: 982.295, 0.00303439/step, 3.93797 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: 328000 711.3700 2046.1250 1935.0727 114.3341 -205982.2172 17748.4900 0.0000 0.0000 34098.6792 -149328.1462 297.7922 -183426.8254 -149233.7531 299.4252 -30.5358 -2.8529 556522.2895 -8.5191 -8.3654 PRESSURE: 328200 -129.665 -69.8603 -111.269 -69.8599 -126.509 9.71474 -111.269 9.7165 63.9662 GPRESSURE: 328200 -81.196 -114.542 -0.0859523 -56.516 -59.2563 17.3077 -183.145 69.1961 52.1852 PRESSAVG: 328200 7.66914 -9.16582 -2.06337 -9.16568 12.8816 0.0590794 -2.0634 0.0590869 -37.9393 GPRESSAVG: 328200 7.33866 -9.69121 -3.95979 -7.15692 13.6588 0.841095 -1.77386 -1.18462 -38.3845 TIMING: 328200 CPU: 982.896, 0.00300073/step Wall: 982.896, 0.00300073/step, 3.89411 hours remaining, 206.453125 MB of memory in use. ENERGY: 328200 728.9424 2060.8563 1956.1315 103.5497 -206232.4586 17782.2554 0.0000 0.0000 34350.6836 -149250.0396 299.9931 -183600.7232 -149144.8744 299.3300 -64.0693 -29.4224 556824.7441 -5.7962 -5.7957 LDB: ============= START OF LOAD BALANCING ============== 986.412 LDB: ============== END OF LOAD BALANCING =============== 986.412 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 986.413 LDB: ============= START OF LOAD BALANCING ============== 986.712 LDB: Largest compute 4773 load 0.032942 is 28.0% of average load 0.117823 LDB: Average compute 0.001734 is 1.5% of average load 0.117823 LDB: TIME 986.714 LOAD: AVG 0.117823 MAX 0.213156 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206 MB LDB: TIME 986.714 LOAD: AVG 0.117823 MAX 0.213156 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.07 MB LDB: TIME 986.714 LOAD: AVG 0.117823 MAX 0.213156 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.07 MB LDB: ============== END OF LOAD BALANCING =============== 986.716 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 986.72 PRESSURE: 328400 144.572 -81.7971 150.228 -81.797 -101.519 31.1829 150.229 31.1826 181.179 GPRESSURE: 328400 180.752 -50.6052 -13.6547 -119.322 -51.5023 17.168 173.622 -70.3892 174.248 PRESSAVG: 328400 -50.8899 -6.80036 -43.804 -6.80032 -4.76905 -47.4481 -43.804 -47.4483 42.2916 GPRESSAVG: 328400 -50.8962 -8.2635 -42.7261 -5.5107 -4.81083 -48.4655 -44.2519 -47.7887 42.3356 TIMING: 328400 CPU: 983.504, 0.00304074/step Wall: 983.504, 0.00304074/step, 3.94586 hours remaining, 204.949219 MB of memory in use. ENERGY: 328400 773.3991 2123.6538 1966.6930 115.2874 -206144.4248 17865.1638 0.0000 0.0000 34087.5163 -149212.7113 297.6948 -183300.2276 -149116.7027 299.8476 74.7439 101.1659 555793.4645 -4.4558 -4.4571 PRESSURE: 328600 -252.419 25.0961 -20.4054 25.0962 -67.1231 -76.2112 -20.4042 -76.2115 -236.801 GPRESSURE: 328600 -217.109 -38.3564 -43.806 37.446 -59.9435 -31.8364 1.75772 -85.3145 -164.603 PRESSAVG: 328600 -27.7661 -44.1506 67.7524 -44.1505 -24.4159 -14.9298 67.7524 -14.9298 46.9425 GPRESSAVG: 328600 -28.321 -44.1899 68.7463 -44.4059 -25.413 -15.3093 67.0275 -12.5043 48.1661 TIMING: 328600 CPU: 984.105, 0.00300555/step Wall: 984.105, 0.00300555/step, 3.90004 hours remaining, 204.949219 MB of memory in use. ENERGY: 328600 749.1089 2095.4542 1924.6721 118.2457 -206156.7614 17692.4384 0.0000 0.0000 34269.7699 -149307.0722 299.2864 -183576.8421 -149213.1941 299.1997 -185.4479 -147.2185 558594.4609 -1.7465 -1.8560 PRESSURE: 328800 94.4093 -14.0641 -208.28 -14.0641 -213.105 -81.969 -208.279 -81.9687 64.0236 GPRESSURE: 328800 109.94 22.9358 -277.629 22.3417 -140.462 -93.2092 -110.438 -101.036 85.8181 PRESSAVG: 328800 54.5004 12.4521 30.9373 12.4521 -53.6178 -7.92631 30.9373 -7.92615 -4.97017 GPRESSAVG: 328800 54.347 13.6496 31.5468 10.9885 -53.0749 -8.69987 31.9885 -8.6651 -5.8332 TIMING: 328800 CPU: 984.704, 0.00299762/step Wall: 984.704, 0.00299762/step, 3.88957 hours remaining, 204.949219 MB of memory in use. ENERGY: 328800 703.2493 2117.1700 1955.6266 105.2091 -206224.8980 17852.5801 0.0000 0.0000 34097.4046 -149393.6582 297.7811 -183491.0629 -149302.2635 299.4050 -18.2240 18.4321 557818.2547 -1.3625 -1.5203 PRESSURE: 329000 -141.842 175.081 72.6272 175.082 -64.5545 -12.1978 72.6265 -12.1989 -88.2754 GPRESSURE: 329000 -135.079 160.672 129.582 148.071 4.91636 -39.0028 87.1965 29.4851 -50.9694 PRESSAVG: 329000 19.0346 25.3505 18.1225 25.3506 -22.09 1.43514 18.1225 1.43513 16.0562 GPRESSAVG: 329000 19.9371 24.2486 18.4919 27.4789 -23.3866 2.20354 16.9263 -0.696914 16.5285 TIMING: 329000 CPU: 985.305, 0.00300338/step Wall: 985.305, 0.00300338/step, 3.89689 hours remaining, 204.949219 MB of memory in use. ENERGY: 329000 767.4038 2111.9912 1966.3963 106.0052 -205963.9964 17639.7459 0.0000 0.0000 34076.4395 -149296.0145 297.5980 -183372.4539 -149198.9808 299.2470 -98.2238 -60.3773 556606.4477 4.3336 4.3597 PRESSURE: 329200 -113.017 -23.4509 133.135 -23.4521 -103.679 104.156 133.133 104.155 62.5375 GPRESSURE: 329200 23.8682 -102.363 162.777 35.4781 -117.22 57.4964 138.615 83.597 33.9556 PRESSAVG: 329200 53.4932 -12.6802 72.4369 -12.6802 -68.7571 5.22592 72.4367 5.22591 26.5929 GPRESSAVG: 329200 52.7658 -10.9967 71.5502 -14.3078 -67.7839 5.04819 72.2748 6.7748 26.5851 TIMING: 329200 CPU: 985.914, 0.00304377/step Wall: 985.914, 0.00304377/step, 3.94912 hours remaining, 204.949219 MB of memory in use. ENERGY: 329200 732.7863 2062.7607 1972.3676 109.9958 -206294.7993 17724.6699 0.0000 0.0000 34391.0836 -149301.1354 300.3459 -183692.2190 -149203.6796 299.4542 -51.3860 -19.7986 556872.1269 3.7763 3.8557 PRESSURE: 329400 -57.9493 111.025 -33.9921 111.024 168.503 130.299 -33.9905 130.298 63.7613 GPRESSURE: 329400 -17.7235 111.003 -42.54 126.453 193.449 185.724 49.1579 111.501 87.6556 PRESSAVG: 329400 82.3116 50.4779 13.8604 50.4778 -66.9165 49.0646 13.8604 49.0646 -16.0081 GPRESSAVG: 329400 82.7104 50.131 12.1682 49.3829 -66.8233 50.7056 15.5219 48.8292 -16.1048 TIMING: 329400 CPU: 986.522, 0.00303992/step Wall: 986.522, 0.00303992/step, 3.94396 hours remaining, 204.949219 MB of memory in use. ENERGY: 329400 716.7533 2152.4521 1927.4050 101.8284 -206630.7976 17926.3161 0.0000 0.0000 34333.4537 -149472.5889 299.8426 -183806.0426 -149381.1487 299.1091 58.1051 87.7937 556825.9631 -0.2043 -0.0726 PRESSURE: 329600 35.7619 98.3228 -57.142 98.3225 -190.952 196.258 -57.1433 196.258 -84.7154 GPRESSURE: 329600 86.023 69.1579 23.5038 100.158 -159.424 159.554 -119.051 118.211 -59.0001 PRESSAVG: 329600 51.1465 35.1468 44.1925 35.1469 -41.7229 22.4629 44.1925 22.463 11.3667 GPRESSAVG: 329600 50.7502 35.4276 45.9125 34.5764 -42.1597 19.4118 43.1229 22.282 11.6372 TIMING: 329600 CPU: 987.127, 0.00302758/step Wall: 987.127, 0.00302758/step, 3.92778 hours remaining, 204.949219 MB of memory in use. ENERGY: 329600 742.0633 2067.6160 1949.4462 110.3998 -205834.2432 17613.2616 0.0000 0.0000 33983.7847 -149367.6715 296.7888 -183351.4562 -149273.4092 299.3493 -79.9685 -44.1336 557735.4281 6.9301 6.7426 PRESSURE: 329800 117.357 -31.1058 -19.8299 -31.106 -110.927 80.7976 -19.8303 80.7962 -162.433 GPRESSURE: 329800 92.3841 -8.85499 1.7747 -13.4821 -43.7096 5.40851 44.0774 163.135 -97.8351 PRESSAVG: 329800 40.7687 -0.716864 18.9324 -0.716805 -63.2346 26.2369 18.9325 26.2369 33.7045 GPRESSAVG: 329800 40.4446 0.33375 19.0243 0.301599 -62.8646 27.8555 18.5934 26.5559 33.9839 TIMING: 329800 CPU: 987.733, 0.00302785/step Wall: 987.733, 0.00302785/step, 3.92796 hours remaining, 204.949219 MB of memory in use. ENERGY: 329800 717.9158 2037.3094 1951.6743 118.2728 -206333.5483 17832.0036 0.0000 0.0000 34347.7934 -149328.5791 299.9678 -183676.3726 -149234.0240 298.8409 -52.0010 -16.3869 557548.6682 3.7462 3.8547 PRESSURE: 330000 125.582 -22.3622 -25.171 -22.3614 -93.5194 22.856 -25.171 22.8541 -51.7683 GPRESSURE: 330000 171.421 -50.7471 -63.3623 85.1684 -42.5346 -30.6704 21.3308 64.0848 -50.4161 PRESSAVG: 330000 49.895 -65.0449 10.2012 -65.0449 -21.4154 7.2951 10.2012 7.29509 -65.8997 GPRESSAVG: 330000 49.9473 -66.3125 9.48922 -63.2901 -21.7179 8.32562 10.0542 6.8361 -65.4009 TIMING: 330000 CPU: 988.332, 0.00299661/step Wall: 988.332, 0.00299661/step, 3.88726 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: 330000 730.4812 2060.9446 1951.5496 124.2954 -206461.4722 17962.9155 0.0000 0.0000 34057.9107 -149573.3752 297.4362 -183631.2859 -149483.5092 298.0110 -6.5687 26.1569 556782.0734 -12.4734 -12.3905 PRESSURE: 330200 -61.3244 -124.884 119.726 -124.886 -341.615 45.9475 119.725 45.9474 -160.862 GPRESSURE: 330200 -25.4492 -126.287 154.288 -49.8659 -289.329 114.865 106.628 -24.8951 -146.345 PRESSAVG: 330200 95.2909 -89.6177 19.3929 -89.6176 -53.6351 18.793 19.393 18.793 52.7316 GPRESSAVG: 330200 96.0293 -89.8058 21.1354 -90.632 -53.0908 19.3567 19.3678 17.308 51.8197 TIMING: 330200 CPU: 988.93, 0.0029866/step Wall: 988.93, 0.0029866/step, 3.87412 hours remaining, 204.949219 MB of memory in use. ENERGY: 330200 734.9533 2006.6154 1957.7666 106.3512 -206332.2609 17655.4399 0.0000 0.0000 34336.7568 -149534.3776 299.8714 -183871.1344 -149436.3065 298.2746 -187.9338 -153.7080 557118.0473 31.4624 31.5861 PRESSURE: 330400 -113.244 -48.5882 38.6194 -48.5887 13.394 -140.477 38.6197 -140.476 93.2319 GPRESSURE: 330400 -119.701 -78.7051 88.8479 -7.93612 117.968 -194.107 -44.5186 -112.325 90.8678 PRESSAVG: 330400 -64.3305 -14.0371 27.9915 -14.0372 25.9353 0.106235 27.9915 0.106259 28.7651 GPRESSAVG: 330400 -63.5441 -14.6042 25.9054 -13.9285 25.4438 -0.775757 29.2943 1.67552 27.8401 TIMING: 330400 CPU: 989.537, 0.00303843/step Wall: 989.537, 0.00303843/step, 3.94119 hours remaining, 204.949219 MB of memory in use. ENERGY: 330400 729.3866 2068.6925 1943.4592 109.3536 -206013.0667 17726.2270 0.0000 0.0000 34166.4186 -149269.5292 298.3838 -183435.9478 -149167.5887 298.8236 -2.2061 29.7116 557529.0698 -3.2100 -3.4201 PRESSURE: 330600 12.447 -203.022 151.656 -203.022 -262.194 -22.389 151.656 -22.3893 -245.715 GPRESSURE: 330600 49.3683 -98.8589 145.496 -221.203 -271.932 5.76312 83.7657 -4.98928 -174.858 PRESSAVG: 330600 -9.73687 -30.4665 2.91717 -30.4665 -34.6696 -9.79311 2.91715 -9.79319 49.0087 GPRESSAVG: 330600 -10.854 -28.5335 5.96666 -30.437 -33.4777 -9.79554 1.41334 -10.5682 48.8806 TIMING: 330600 CPU: 990.135, 0.00299033/step Wall: 990.135, 0.00299033/step, 3.87863 hours remaining, 204.949219 MB of memory in use. ENERGY: 330600 723.9884 2079.7667 1928.0805 120.7841 -206046.0563 17566.2564 0.0000 0.0000 34438.2222 -149188.9580 300.7576 -183627.1802 -149089.7048 299.2584 -165.1540 -132.4736 558114.4305 1.5341 1.5163 PRESSURE: 330800 -403.14 -48.9298 -48.6962 -48.9319 -300.275 -41.511 -48.6966 -41.512 -166.595 GPRESSURE: 330800 -320.463 -73.8742 -17.143 -31.53 -224.858 -72.7757 -129.612 -22.9918 -225.255 PRESSAVG: 330800 15.1712 -23.028 8.78187 -23.028 -34.917 -24.0695 8.78183 -24.0696 6.92504 GPRESSAVG: 330800 15.3039 -22.8559 6.70984 -22.0936 -33.9262 -24.182 9.20234 -25.0666 6.2336 TIMING: 330800 CPU: 990.735, 0.0030008/step Wall: 990.735, 0.0030008/step, 3.89204 hours remaining, 204.949219 MB of memory in use. ENERGY: 330800 748.7308 2068.7189 1953.8452 109.6752 -205598.1144 17442.2634 0.0000 0.0000 34183.1524 -149091.7285 298.5300 -183274.8809 -148997.0522 299.4656 -290.0035 -256.8589 559822.7789 -4.2736 -4.1296 PRESSURE: 331000 16.0201 -101.109 -4.97424 -101.108 -270.218 -76.1627 -4.97474 -76.1616 -163.48 GPRESSURE: 331000 44.8882 -93.7839 -8.41247 -61.3471 -250.996 -135.953 -25.2296 -26.3329 -108.583 PRESSAVG: 331000 -35.34 -32.3479 -5.60218 -32.348 -9.04676 27.4849 -5.60216 27.4849 35.9389 GPRESSAVG: 331000 -36.719 -32.238 -8.31086 -35.7808 -10.2115 26.6925 -5.26637 27.7209 38.4025 TIMING: 331000 CPU: 991.332, 0.00298143/step Wall: 991.332, 0.00298143/step, 3.86675 hours remaining, 204.949219 MB of memory in use. ENERGY: 331000 758.1148 2123.8110 1946.3371 125.9566 -205966.9640 17693.7181 0.0000 0.0000 34393.4290 -148925.5973 300.3664 -183319.0262 -148831.9347 299.3944 -139.2260 -104.8970 558728.9528 -2.8159 -2.8427 PRESSURE: 331200 -153.214 -67.4877 62.5625 -67.487 -233.619 -27.8857 62.5627 -27.8855 -60.6514 GPRESSURE: 331200 -194.814 -8.05308 70.998 -85.6247 -184.457 9.29325 32.5955 -34.2323 18.1417 PRESSAVG: 331200 -26.1143 -1.51685 9.45654 -1.51678 -90.2084 -15.3399 9.45651 -15.3398 108.985 GPRESSAVG: 331200 -25.1824 -4.84174 11.4172 0.782748 -90.6196 -14.5255 8.83363 -15.0121 107.666 TIMING: 331200 CPU: 991.924, 0.00296132/step Wall: 991.924, 0.00296132/step, 3.8405 hours remaining, 204.949219 MB of memory in use. ENERGY: 331200 713.9651 2010.4269 1960.3663 114.3514 -206109.0098 17548.0999 0.0000 0.0000 34574.3658 -149187.4343 301.9465 -183761.8002 -149086.1373 300.0916 -149.1613 -120.3764 556128.1265 -2.4460 -2.7118 PRESSURE: 331400 -242.255 -131.5 -52.6682 -131.5 -129.443 128.207 -52.6681 128.209 -24.2617 GPRESSURE: 331400 -204.756 -87.0808 -77.3733 -69.1053 -97.4672 168.107 -121.784 72.9615 0.536946 PRESSAVG: 331400 -17.7842 11.7651 25.4336 11.7651 -44.9616 17.1903 25.4335 17.1902 46.4282 GPRESSAVG: 331400 -18.3711 13.8706 27.5985 10.9728 -44.2705 17.0951 26.4565 18.5649 46.1389 TIMING: 331400 CPU: 992.521, 0.00298511/step Wall: 992.521, 0.00298511/step, 3.8712 hours remaining, 204.949219 MB of memory in use. ENERGY: 331400 767.1384 2057.5059 1967.3752 97.3203 -206168.6087 17635.4106 0.0000 0.0000 34358.6362 -149285.2220 300.0625 -183643.8582 -149189.5155 299.3451 -131.9866 -100.5621 557688.6710 -5.4392 -5.5009 PRESSURE: 331600 -196.183 -36.6249 -118.275 -36.623 -113.124 31.2865 -118.276 31.2859 -500.648 GPRESSURE: 331600 -168.77 -89.412 -98.1426 -26.4017 -69.9501 -2.48041 -228.893 6.86874 -475.617 PRESSAVG: 331600 -12.0002 43.5182 9.21966 43.5181 29.1399 25.9806 9.21969 25.9806 10.2908 GPRESSAVG: 331600 -11.0001 44.5998 8.79304 43.3554 30.1365 26.4958 6.86308 24.5336 8.03121 TIMING: 331600 CPU: 993.121, 0.00299829/step Wall: 993.121, 0.00299829/step, 3.88811 hours remaining, 204.949219 MB of memory in use. ENERGY: 331600 735.2667 2109.7367 1944.3574 105.8910 -205732.2613 17300.6067 0.0000 0.0000 34141.2810 -149395.1217 298.1643 -183536.4027 -149301.8527 299.0012 -269.9849 -238.1125 558471.9236 9.1435 9.0559 PRESSURE: 331800 69.0182 -18.9946 24.2533 -18.9956 157.378 -17.8123 24.2528 -17.8148 -121.876 GPRESSURE: 331800 110.333 -51.3604 -30.0914 -36.1356 133.912 -26.4782 57.4209 -2.44167 -49.9383 PRESSAVG: 331800 14.3519 -31.2496 2.10336 -31.2494 70.3274 52.0246 2.10335 52.0245 -45.9882 GPRESSAVG: 331800 13.3577 -32.784 0.618054 -31.58 68.9703 50.2497 3.75052 54.5034 -43.4318 TIMING: 331800 CPU: 993.719, 0.00299125/step Wall: 993.719, 0.00299125/step, 3.87883 hours remaining, 204.949219 MB of memory in use. ENERGY: 331800 735.2614 2099.9566 1939.2380 105.4453 -206570.9129 18025.5819 0.0000 0.0000 34120.2208 -149545.2089 297.9804 -183665.4297 -149453.5727 298.6748 34.8398 64.7690 556748.2963 12.8970 12.9654 PRESSURE: 332000 -49.7391 -104.431 -15.5805 -104.432 296.988 59.4948 -15.5794 59.4952 -126.805 GPRESSURE: 332000 -50.4464 -140.731 -17.8037 -130.661 358.361 63.5819 -23.8226 62.0825 -89.1158 PRESSAVG: 332000 -18.734 34.7235 -8.18693 34.7235 52.5497 -21.7959 -8.18688 -21.7959 -52.0523 GPRESSAVG: 332000 -19.122 35.6432 -6.31245 36.5031 52.6117 -21.052 -8.98924 -25.0361 -52.0632 TIMING: 332000 CPU: 994.315, 0.00297882/step Wall: 994.315, 0.00297882/step, 3.86254 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: 332000 759.8808 2104.8789 1962.6571 104.0018 -206557.0068 18044.9716 0.0000 0.0000 34092.7639 -149487.8527 297.7406 -183580.6165 -149388.4134 298.5000 40.1478 72.9330 556976.2524 -6.0789 -6.1911 PRESSURE: 332200 139.414 -140.263 15.9138 -140.262 74.5973 80.5924 15.9145 80.5922 363.868 GPRESSURE: 332200 169.634 -187.983 -0.60158 -87.109 153.499 123.822 58.3282 122.532 353.104 PRESSAVG: 332200 -17.6395 15.4806 -35.6267 15.4806 37.1164 57.3624 -35.6267 57.3624 -43.6442 GPRESSAVG: 332200 -15.2421 13.916 -37.0642 15.7234 36.7093 56.6772 -33.6284 59.6217 -45.2246 TIMING: 332200 CPU: 994.908, 0.0029674/step Wall: 994.908, 0.0029674/step, 3.84756 hours remaining, 204.949219 MB of memory in use. ENERGY: 332200 712.7583 2050.3447 1945.3755 109.2749 -206732.7345 18195.5661 0.0000 0.0000 34248.9026 -149470.5124 299.1042 -183719.4150 -149371.5451 298.3067 192.6266 225.4121 556800.8987 -8.0557 -7.9191 LDB: ============= START OF LOAD BALANCING ============== 998.423 LDB: ============== END OF LOAD BALANCING =============== 998.424 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 998.425 LDB: ============= START OF LOAD BALANCING ============== 998.725 LDB: Largest compute 4773 load 0.031726 is 26.9% of average load 0.117819 LDB: Average compute 0.001730 is 1.5% of average load 0.117819 LDB: TIME 998.728 LOAD: AVG 0.117819 MAX 0.210227 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.23 MB LDB: TIME 998.728 LOAD: AVG 0.117819 MAX 0.210227 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.234 MB LDB: TIME 998.728 LOAD: AVG 0.117819 MAX 0.210227 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.234 MB LDB: ============== END OF LOAD BALANCING =============== 998.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 998.734 PRESSURE: 332400 221.239 -19.768 -71.5399 -19.7684 187.704 93.282 -71.5401 93.2798 -142.591 GPRESSURE: 332400 272.36 -19.4247 -222.849 8.63356 191.378 10.5744 -4.08205 133.189 -100.712 PRESSAVG: 332400 -15.4901 8.58116 -20.4385 8.58121 63.0142 55.6306 -20.4385 55.6305 -46.553 GPRESSAVG: 332400 -17.664 9.98971 -20.5014 8.13015 63.1882 55.8721 -20.9375 54.3377 -44.7618 TIMING: 332400 CPU: 995.517, 0.0030455/step Wall: 995.517, 0.0030455/step, 3.94866 hours remaining, 205.519531 MB of memory in use. ENERGY: 332400 749.0489 2109.4305 1957.2436 114.2361 -206657.6863 18074.7743 0.0000 0.0000 34134.7175 -149518.2354 298.1070 -183652.9529 -149430.8583 298.1196 88.7842 121.0086 557990.4054 0.3237 0.2541 PRESSURE: 332600 -78.34 108.695 -107.808 108.696 -321.015 -83.8821 -107.808 -83.8826 -96.8396 GPRESSURE: 332600 -47.8074 172.848 -70.4971 76.229 -285.681 -80.4231 -192.054 -126.788 -69.0302 PRESSAVG: 332600 -39.9869 14.0619 2.8254 14.0618 31.3645 24.5338 2.82542 24.5338 15.7329 GPRESSAVG: 332600 -39.5816 13.641 3.38026 14.3541 32.4472 26.9576 2.4495 22.0515 14.2101 TIMING: 332600 CPU: 996.116, 0.00299219/step Wall: 996.116, 0.00299219/step, 3.87938 hours remaining, 205.722656 MB of memory in use. ENERGY: 332600 782.5795 2149.6885 1926.1210 109.0003 -206092.3392 17583.1753 0.0000 0.0000 34179.6396 -149362.1350 298.4993 -183541.7746 -149269.3461 298.4406 -165.3981 -134.1730 557417.9756 2.3702 2.3585 PRESSURE: 332800 -158.238 -20.037 152.82 -20.0372 83.9487 -36.0886 152.822 -36.0903 -108.843 GPRESSURE: 332800 -138.928 -0.498674 185.289 42.4938 145.678 -24.51 129.006 -140.26 -94.5645 PRESSAVG: 332800 -4.04113 6.63063 -35.1572 6.63056 28.8152 26.8116 -35.1573 26.8116 -17.217 GPRESSAVG: 332800 -2.79296 6.51293 -34.4206 8.51305 28.0211 24.8808 -34.6005 29.6457 -17.4243 TIMING: 332800 CPU: 996.714, 0.00299287/step Wall: 996.714, 0.00299287/step, 3.88009 hours remaining, 205.722656 MB of memory in use. ENERGY: 332800 740.4675 2048.4825 1930.3364 110.5410 -205982.5817 17703.4348 0.0000 0.0000 34197.0021 -149252.3174 298.6509 -183449.3195 -149158.5498 298.9036 -61.0443 -29.2716 557888.7201 2.5190 2.6013 PRESSURE: 333000 53.8626 -185.115 80.6006 -185.115 91.8435 21.7374 80.6025 21.7393 -37.347 GPRESSURE: 333000 34.9964 -166.331 33.3223 -194.242 130.803 -24.4538 66.5255 46.9054 40.0312 PRESSAVG: 333000 -42.741 -66.1722 24.3084 -66.1721 37.8481 14.5026 24.3084 14.5025 -27.0506 GPRESSAVG: 333000 -43.9164 -67.0951 22.4605 -68.5269 38.0917 14.4897 24.3718 15.5065 -26.0226 TIMING: 333000 CPU: 997.312, 0.00299051/step Wall: 997.312, 0.00299051/step, 3.87686 hours remaining, 205.722656 MB of memory in use. ENERGY: 333000 724.2936 2052.7805 1972.8499 123.0939 -206296.4104 17930.1890 0.0000 0.0000 34144.1051 -149349.0984 298.1890 -183493.2035 -149250.7690 299.0797 36.1197 68.6103 558321.4271 -10.6478 -10.6158 PRESSURE: 333200 -327.653 46.7645 57.2734 46.7646 65.6172 -75.1736 57.2729 -75.1736 -85.1782 GPRESSURE: 333200 -312.099 18.9219 52.178 48.5141 75.3522 -7.45011 68.4471 -86.4811 -15.5159 PRESSAVG: 333200 29.9252 -8.43138 -3.10199 -8.43139 15.4235 6.64384 -3.10189 6.64382 13.3761 GPRESSAVG: 333200 31.0061 -5.24125 -3.45681 -7.97629 15.3103 5.65387 -2.10149 6.92751 13.02 TIMING: 333200 CPU: 997.911, 0.00299446/step Wall: 997.911, 0.00299446/step, 3.88182 hours remaining, 205.722656 MB of memory in use. ENERGY: 333200 753.4005 2094.4564 1961.6677 118.2450 -206175.5715 17793.1013 0.0000 0.0000 34217.0251 -149237.6756 298.8258 -183454.7007 -149149.4833 299.1001 -115.7379 -84.0875 558853.5197 19.5750 19.7788 PRESSURE: 333400 -158.824 -117.239 21.7869 -117.238 -148.125 -47.3251 21.7865 -47.327 -98.5728 GPRESSURE: 333400 -82.993 -160.138 66.1012 -120.658 -172.909 -135.547 -4.69841 -81.3233 -65.1808 PRESSAVG: 333400 6.05908 2.77586 -22.0009 2.7759 24.6828 -20.3179 -22.001 -20.3179 -3.56626 GPRESSAVG: 333400 5.59949 3.18648 -21.6219 1.17917 24.9429 -19.2977 -21.7731 -23.4252 -3.89123 TIMING: 333400 CPU: 998.513, 0.00300648/step Wall: 998.513, 0.00300648/step, 3.89723 hours remaining, 205.722656 MB of memory in use. ENERGY: 333400 742.0676 2036.8003 1978.2864 120.1520 -206123.5371 17704.3021 0.0000 0.0000 34287.7948 -149254.1339 299.4438 -183541.9286 -149164.0920 299.4341 -135.1740 -107.0275 558717.3289 9.0585 8.8837 PRESSURE: 333600 -74.6836 -22.9151 -19.7159 -22.9147 133.755 -223.616 -19.7159 -223.616 -62.6079 GPRESSURE: 333600 -12.4505 -140.486 34.1955 -5.9424 101.911 -220.43 25.9476 -186.798 6.17949 PRESSAVG: 333600 -26.5804 23.981 -0.23842 23.981 30.9414 -66.1352 -0.238462 -66.1352 -25.7175 GPRESSAVG: 333600 -27.6021 23.4639 -1.44224 23.9782 31.0091 -65.2685 0.165933 -67.3531 -25.5791 TIMING: 333600 CPU: 999.117, 0.0030239/step Wall: 999.117, 0.0030239/step, 3.91965 hours remaining, 205.722656 MB of memory in use. ENERGY: 333600 732.2979 2083.7648 1927.6519 108.3257 -206197.9696 18000.8637 0.0000 0.0000 34239.8565 -149105.2091 299.0252 -183345.0656 -149009.9346 299.7168 -1.1787 31.8801 559823.5118 -7.1188 -7.3907 PRESSURE: 333800 -38.2039 6.5011 -60.0745 6.50049 -4.00602 -157.233 -60.0739 -157.232 202.634 GPRESSURE: 333800 14.6747 26.9244 -85.2377 1.09889 32.6269 -147.22 -83.2564 -161.117 214.091 PRESSAVG: 333800 21.1411 -26.8759 45.4784 -26.8759 15.2816 -41.3257 45.4783 -41.3256 -31.0308 GPRESSAVG: 333800 21.8972 -28.4766 47.4004 -27.1218 14.5236 -41.207 43.641 -41.8855 -30.9905 TIMING: 333800 CPU: 999.731, 0.00306852/step Wall: 999.731, 0.00306852/step, 3.97732 hours remaining, 205.722656 MB of memory in use. ENERGY: 333800 725.1124 2072.4126 1963.2218 106.5598 -206395.3667 17884.8345 0.0000 0.0000 34388.2252 -149255.0003 300.3209 -183643.2255 -149158.5773 299.6403 53.4746 87.1310 558669.1724 1.7973 1.8101 PRESSURE: 334000 141.008 90.8196 85.6074 90.8197 117.1 125.552 85.6074 125.553 -70.3861 GPRESSURE: 334000 161.18 124.653 88.7222 115.759 126.666 193.622 37.1013 63.2308 -8.33981 PRESSAVG: 334000 -28.4779 25.4657 -64.466 25.4657 7.70697 -23.6528 -64.466 -23.6529 18.5496 GPRESSAVG: 334000 -28.6421 24.1399 -64.475 27.5405 8.4906 -25.7112 -64.3844 -21.815 18.2463 TIMING: 334000 CPU: 1000.34, 0.00304427/step Wall: 1000.34, 0.00304427/step, 3.94571 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: 334000 736.0002 2060.0819 1944.5091 113.0175 -206223.9385 17829.4480 0.0000 0.0000 34429.2672 -149111.6148 300.6794 -183540.8819 -149014.5034 299.5491 62.5741 93.1687 556642.5153 -0.7405 -0.6351 PRESSURE: 334200 97.7598 30.1628 96.1275 30.1614 -198.38 10.9609 96.1272 10.9611 -69.6034 GPRESSURE: 334200 86.3188 0.697817 138.163 58.7576 -112.776 -18.9284 102.374 78.4111 -55.4265 PRESSAVG: 334200 -10.7495 56.8939 8.02522 56.8939 -24.084 6.26101 8.0252 6.26094 28.9522 GPRESSAVG: 334200 -10.9059 59.9674 8.55272 55.8373 -24.2592 5.65803 8.77879 8.00663 29.2141 TIMING: 334200 CPU: 1000.94, 0.00300585/step Wall: 1000.94, 0.00300585/step, 3.89575 hours remaining, 205.722656 MB of memory in use. ENERGY: 334200 742.4471 2122.1473 1944.5355 114.3455 -205853.7856 17622.9685 0.0000 0.0000 34182.0937 -149125.2481 298.5207 -183307.3418 -149033.6986 299.6675 -56.7413 -27.2944 557959.8295 -1.9604 -1.9836 PRESSURE: 334400 -67.0315 -108.751 -58.7941 -108.751 6.11664 99.575 -58.7936 99.5753 -71.0997 GPRESSURE: 334400 -17.3076 -83.7466 4.99637 -197.023 -9.79812 161.937 -83.4029 6.1556 5.22244 PRESSAVG: 334400 47.6735 3.38529 -3.9532 3.38529 6.09135 -3.27476 -3.95324 -3.2746 -58.747 GPRESSAVG: 334400 48.9824 1.46946 -3.38251 3.27931 4.39214 -1.54528 -6.87258 -4.33087 -58.2964 TIMING: 334400 CPU: 1001.54, 0.00299764/step Wall: 1001.54, 0.00299764/step, 3.88494 hours remaining, 205.722656 MB of memory in use. ENERGY: 334400 748.3752 2068.3116 1940.2952 121.8235 -206090.8907 17879.0998 0.0000 0.0000 34256.7798 -149076.2057 299.1730 -183332.9855 -148982.3743 299.3010 -44.0049 -7.2944 559222.8233 -1.6607 -1.6406 PRESSURE: 334600 11.2069 5.3173 -171.338 5.31769 -31.9448 12.5651 -171.339 12.5657 -155.685 GPRESSURE: 334600 45.4541 45.9302 -104.413 60.3905 24.1696 47.7156 -128.116 -48.6179 -148.805 PRESSAVG: 334600 -28.9301 55.2888 0.0211067 55.2888 75.1941 32.9533 0.0211 32.9533 -53.3625 GPRESSAVG: 334600 -29.5479 55.8645 -2.10988 55.7775 75.8022 31.9785 2.68469 32.2078 -53.4676 TIMING: 334600 CPU: 1002.14, 0.00299416/step Wall: 1002.14, 0.00299416/step, 3.88027 hours remaining, 205.722656 MB of memory in use. ENERGY: 334600 751.2816 2106.7385 1959.6258 121.4965 -206499.0396 17899.6253 0.0000 0.0000 34340.0309 -149320.2410 299.9000 -183660.2719 -149218.3152 299.4329 -58.8078 -26.3939 556781.7552 -2.3662 -2.4044 PRESSURE: 334800 -16.0435 38.5205 25.9091 38.5198 -155.69 19.0678 25.9106 19.0677 -150.856 GPRESSURE: 334800 -45.728 11.4223 -59.4835 68.8973 -90.7127 -45.7944 51.057 -3.38305 -89.5799 PRESSAVG: 334800 16.4472 32.0553 6.09565 32.0555 48.6025 -2.76757 6.09566 -2.76763 -21.3804 GPRESSAVG: 334800 15.6236 31.9971 5.37365 31.8169 48.8033 -2.07901 5.04892 -2.41956 -21.2319 TIMING: 334800 CPU: 1002.74, 0.00298899/step Wall: 1002.74, 0.00298899/step, 3.8734 hours remaining, 205.722656 MB of memory in use. ENERGY: 334800 776.6113 2082.2514 1966.0319 109.6958 -206362.9820 17730.5120 0.0000 0.0000 34457.2636 -149240.6159 300.9239 -183697.8795 -149140.5454 299.4787 -107.5298 -75.3402 557519.4083 14.5564 14.3983 PRESSURE: 335000 -192.575 28.589 -118.144 28.5878 6.13787 -114.943 -118.143 -114.943 -252.959 GPRESSURE: 335000 -110.08 61.1706 -160.607 -14.2276 36.9974 -141.297 -145.111 -47.7428 -270.636 PRESSAVG: 335000 23.7497 16.4658 -25.6434 16.4658 -0.866043 -4.23133 -25.6435 -4.23138 5.35796 GPRESSAVG: 335000 24.6386 17.4069 -24.6624 16.2898 -1.15733 -3.49584 -25.2185 -5.47965 4.87422 TIMING: 335000 CPU: 1003.34, 0.00300999/step Wall: 1003.34, 0.00300999/step, 3.90044 hours remaining, 205.722656 MB of memory in use. ENERGY: 335000 767.1674 2124.7010 1976.1767 106.2896 -205899.2793 17600.9592 0.0000 0.0000 34164.6926 -149159.2929 298.3688 -183323.9855 -149063.0181 300.0058 -146.4653 -114.5728 557232.2764 9.4139 9.4518 PRESSURE: 335200 64.368 149.013 34.4702 149.015 -282.732 -31.0103 34.4708 -31.0116 -273.025 GPRESSURE: 335200 69.9142 96.1041 59.9391 149.289 -244.189 -38.8232 8.76908 -49.1262 -236.773 PRESSAVG: 335200 -58.1618 11.6329 15.8312 11.6329 16.1897 13.0579 15.8313 13.0581 2.84273 GPRESSAVG: 335200 -59.9936 11.4202 16.7583 10.5966 17.2994 13.6188 16.7423 14.7573 3.24842 TIMING: 335200 CPU: 1003.95, 0.00303178/step Wall: 1003.95, 0.00303178/step, 3.92852 hours remaining, 205.722656 MB of memory in use. ENERGY: 335200 742.1478 2070.3527 1956.7938 118.4618 -205911.7787 17534.1737 0.0000 0.0000 34291.9705 -149197.8783 299.4803 -183489.8488 -149110.0383 299.1369 -163.7962 -137.0157 556786.7913 -13.0431 -13.1486 PRESSURE: 335400 71.1009 -155.383 -75.5529 -155.382 17.6538 -41.8795 -75.5528 -41.8787 343.165 GPRESSURE: 335400 72.8386 -180.711 -105.724 -157.471 49.6586 -19.6648 -58.053 -4.85911 409.998 PRESSAVG: 335400 24.5319 14.4959 20.2091 14.4959 -32.33 67.9786 20.2091 67.9786 5.75071 GPRESSAVG: 335400 25.4004 14.1831 19.1974 16.4603 -32.9963 69.3228 21.6365 66.6687 5.80689 TIMING: 335400 CPU: 1004.55, 0.00302026/step Wall: 1004.55, 0.00302026/step, 3.91342 hours remaining, 205.722656 MB of memory in use. ENERGY: 335400 728.2972 2013.3704 1936.4032 116.5566 -206423.2772 17947.4627 0.0000 0.0000 34416.8991 -149264.2881 300.5713 -183681.1871 -149163.3506 299.5981 143.9734 177.4985 555692.1598 -0.6825 -0.5963 PRESSURE: 335600 196.422 6.94715 100.127 6.94744 193.827 224.058 100.127 224.058 -41.1219 GPRESSURE: 335600 178.468 -15.1969 87.3978 -23.3036 238.115 232.188 97.2875 149.65 30.9941 PRESSAVG: 335600 49.2418 -22.5989 -10.9395 -22.5989 -41.638 3.27953 -10.9395 3.27955 25.3979 GPRESSAVG: 335600 50.6779 -21.7129 -10.5532 -23.3221 -42.2813 1.21349 -13.1866 5.26588 25.1669 TIMING: 335600 CPU: 1005.15, 0.00301292/step Wall: 1005.15, 0.00301292/step, 3.90374 hours remaining, 205.722656 MB of memory in use. ENERGY: 335600 761.7392 2080.9339 1941.9933 109.0091 -205989.9990 17847.1486 0.0000 0.0000 34043.3765 -149205.7984 297.3093 -183249.1749 -149115.1080 298.9448 116.3757 149.1924 556157.7131 11.0005 11.1878 PRESSURE: 335800 -49.8191 14.0812 -35.6755 14.0803 128.305 -23.8418 -35.6754 -23.8398 -55.2356 GPRESSURE: 335800 2.786 73.9668 -126.97 66.7036 120.507 33.9314 41.8904 -46.6631 -1.59775 PRESSAVG: 335800 33.6278 58.4452 -41.744 58.4451 -43.357 40.9308 -41.744 40.9308 44.5022 GPRESSAVG: 335800 33.2671 55.4726 -43.4724 60.2271 -41.9225 41.7248 -40.1959 39.494 43.7519 TIMING: 335800 CPU: 1005.76, 0.00301392/step Wall: 1005.76, 0.00301392/step, 3.90487 hours remaining, 205.722656 MB of memory in use. ENERGY: 335800 718.0006 2115.2564 1931.5290 102.5243 -206116.2574 17728.9993 0.0000 0.0000 34183.4575 -149336.4903 298.5326 -183519.9477 -149244.8810 299.0022 7.7502 40.5652 556083.5516 11.5910 11.6988 PRESSURE: 336000 -491.189 -175.703 30.9838 -175.702 30.7881 10.2216 30.9845 10.2229 -373.942 GPRESSURE: 336000 -435.141 -168.505 121.393 -182.022 59.3002 35.5301 7.58066 48.8201 -371.217 PRESSAVG: 336000 -15.9363 36.0881 -2.74209 36.0881 32.0935 3.45327 -2.74199 3.45332 -17.4298 GPRESSAVG: 336000 -16.454 39.3588 0.529841 37.1396 32.1544 2.12892 -3.32913 4.37634 -17.464 TIMING: 336000 CPU: 1006.36, 0.00300971/step Wall: 1006.36, 0.00300971/step, 3.89925 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: 336000 747.1772 2048.6233 1957.1595 111.6915 -205988.7495 17557.2665 0.0000 0.0000 34291.7216 -149275.1099 299.4781 -183566.8315 -149181.3065 298.6494 -278.1142 -249.0191 559133.2047 -0.4242 -0.5878 PRESSURE: 336200 -93.3786 -178.571 -120.964 -178.572 120.35 -147.299 -120.963 -147.3 -315.573 GPRESSURE: 336200 -68.1678 -154.52 -25.7405 -198.633 192.307 -53.1326 -182.518 -136.7 -303.094 PRESSAVG: 336200 -33.1331 10.1749 -27.4874 10.1749 82.8341 41.2939 -27.4873 41.2939 -69.7909 GPRESSAVG: 336200 -32.3848 10.6054 -30.0112 7.63401 82.8312 42.5311 -27.944 41.574 -70.2716 TIMING: 336200 CPU: 1006.96, 0.00302002/step Wall: 1006.96, 0.00302002/step, 3.91244 hours remaining, 205.722656 MB of memory in use. ENERGY: 336200 747.2258 2049.8443 1928.9800 119.2006 -206018.4248 17686.9072 0.0000 0.0000 34185.8577 -149300.4093 298.5536 -183486.2670 -149208.7551 298.5536 -96.2006 -59.6517 557519.6515 -6.6967 -6.6084 LDB: ============= START OF LOAD BALANCING ============== 1010.48 LDB: ============== END OF LOAD BALANCING =============== 1010.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1010.48 LDB: ============= START OF LOAD BALANCING ============== 1010.79 LDB: Largest compute 4773 load 0.031601 is 26.8% of average load 0.117881 LDB: Average compute 0.001726 is 1.5% of average load 0.117881 LDB: TIME 1010.79 LOAD: AVG 0.117881 MAX 0.214502 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.492 MB LDB: TIME 1010.79 LOAD: AVG 0.117881 MAX 0.214502 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.492 MB LDB: TIME 1010.79 LOAD: AVG 0.117881 MAX 0.214502 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.492 MB LDB: ============== END OF LOAD BALANCING =============== 1010.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1010.8 PRESSURE: 336400 -171.941 201.746 -134.307 201.745 -153.458 -30.8464 -134.307 -30.8467 -319.631 GPRESSURE: 336400 -167.893 158.348 -177.352 162.653 -70.5906 -58.7113 -155.065 2.0928 -309.789 PRESSAVG: 336400 -49.6946 -24.8083 -78.3975 -24.8082 5.79431 35.0477 -78.3975 35.0477 82.4341 GPRESSAVG: 336400 -50.313 -25.5558 -77.4745 -25.8404 6.07946 34.5236 -76.5125 33.7152 82.1443 TIMING: 336400 CPU: 1007.58, 0.0031103/step Wall: 1007.58, 0.0031103/step, 4.02922 hours remaining, 205.468750 MB of memory in use. ENERGY: 336400 744.5899 2058.5472 1962.1546 123.3879 -205910.3894 17582.8155 0.0000 0.0000 34081.0128 -149357.8815 297.6380 -183438.8943 -149262.2564 298.6897 -215.0100 -182.7577 558253.3180 12.8446 12.6369 PRESSURE: 336600 29.2197 -202.98 148.164 -202.981 41.4784 -28.8429 148.162 -28.8441 -87.7201 GPRESSURE: 336600 86.2004 -193.308 129.27 -210.214 92.9353 -114.912 174.193 -57.5884 -83.7049 PRESSAVG: 336600 53.0954 22.1008 -68.3051 22.1008 0.225641 3.49988 -68.3052 3.49983 -30.5165 GPRESSAVG: 336600 53.8511 23.437 -69.7593 22.6089 -1.10281 3.40078 -69.798 4.06958 -29.502 TIMING: 336600 CPU: 1008.19, 0.00303845/step Wall: 1008.19, 0.00303845/step, 3.93597 hours remaining, 205.468750 MB of memory in use. ENERGY: 336600 779.0363 2050.9465 1933.3555 106.1088 -206140.1479 17832.0921 0.0000 0.0000 34111.8758 -149326.7330 297.9075 -183438.6088 -149233.7699 298.6997 -5.6740 31.8103 556442.0833 7.6015 7.7488 PRESSURE: 336800 -282.204 1.61824 -264.745 1.61916 -18.2298 41.4427 -264.745 41.4411 38.8323 GPRESSURE: 336800 -311.431 57.1636 -199.242 23.5361 58.8701 80.1664 -211.889 49.6415 67.7829 PRESSAVG: 336800 24.5368 56.9081 -24.0493 56.908 -23.4911 -32.4197 -24.0491 -32.4197 18.0277 GPRESSAVG: 336800 23.2606 54.8113 -23.2871 58.0375 -21.5374 -32.4955 -23.6503 -32.9013 17.1954 TIMING: 336800 CPU: 1008.79, 0.00299034/step Wall: 1008.79, 0.00299034/step, 3.87349 hours remaining, 205.468750 MB of memory in use. ENERGY: 336800 744.0353 2084.6719 1920.8586 105.0311 -206022.4142 17571.0769 0.0000 0.0000 34218.6114 -149378.1290 298.8396 -183596.7404 -149284.1072 298.9350 -87.2006 -61.5927 556823.1516 6.3578 6.3062 PRESSURE: 337000 49.8302 -113.242 -104.948 -113.242 286.121 -209.632 -104.949 -209.633 82.2815 GPRESSURE: 337000 31.3411 -48.4959 -119.91 -142.251 337.354 -207.394 -120.479 -252.004 137.879 PRESSAVG: 337000 16.8758 26.2876 6.79314 26.2876 30.0082 -28.1333 6.79316 -28.1332 -3.95906 GPRESSAVG: 337000 17.5639 27.8799 6.45352 24.5981 29.0124 -28.4608 5.46915 -27.4735 -4.23614 TIMING: 337000 CPU: 1009.39, 0.00300204/step Wall: 1009.39, 0.00300204/step, 3.88847 hours remaining, 205.468750 MB of memory in use. ENERGY: 337000 770.5460 1974.8872 1957.4794 107.1808 -206509.3172 18099.2656 0.0000 0.0000 34235.1789 -149364.7793 298.9843 -183599.9582 -149265.9558 298.9866 139.4108 168.8580 556316.2272 14.3083 14.1134 PRESSURE: 337200 -40.9167 64.5793 47.6624 64.5789 86.7736 61.0667 47.6623 61.0662 -243.765 GPRESSURE: 337200 21.8825 58.1042 121.145 69.3204 109.057 78.0056 89.8541 93.7167 -237.466 PRESSAVG: 337200 40.6865 -38.0121 14.7258 -38.0122 -44.9003 -31.8841 14.7257 -31.884 9.02828 GPRESSAVG: 337200 40.6476 -40.0385 15.8034 -35.3368 -45.3683 -31.4405 16.1247 -32.7473 9.01881 TIMING: 337200 CPU: 1009.99, 0.00298763/step Wall: 1009.99, 0.00298763/step, 3.86965 hours remaining, 205.468750 MB of memory in use. ENERGY: 337200 767.8708 2042.7763 1964.4495 124.2911 -206155.8943 17716.0604 0.0000 0.0000 34187.2403 -149353.2058 298.5657 -183540.4462 -149252.7310 299.5743 -65.9693 -35.5087 556295.6073 1.6048 1.4327 PRESSURE: 337400 -27.9647 212.068 22.3155 212.068 265.479 30.7032 22.3153 30.7004 44.7829 GPRESSURE: 337400 0.993833 262.317 71.3452 240.754 311.162 71.7983 42.7974 -7.79341 48.9621 PRESSAVG: 337400 34.0935 5.26485 -11.9764 5.26478 39.4219 3.4679 -11.9764 3.46793 -97.869 GPRESSAVG: 337400 33.7158 5.07369 -9.90671 5.82046 40.8967 1.74873 -15.0909 4.37874 -98.8178 TIMING: 337400 CPU: 1010.59, 0.00299601/step Wall: 1010.59, 0.00299601/step, 3.88033 hours remaining, 205.468750 MB of memory in use. ENERGY: 337400 744.5277 2057.0750 1970.5764 124.5095 -206156.5973 17777.7668 0.0000 0.0000 34167.0524 -149315.0895 298.3894 -183482.1419 -149218.2284 298.8915 94.0991 120.3726 554618.3696 -8.1179 -8.0684 PRESSURE: 337600 -44.3884 53.9356 -68.3756 53.9365 -14.7149 102.619 -68.3755 102.619 -86.3162 GPRESSURE: 337600 -5.78467 23.2756 -85.8515 -24.5032 -17.2058 92.4383 65.839 58.0579 -28.2782 PRESSAVG: 337600 33.265 23.3609 -7.94176 23.3608 35.7877 93.8038 -7.94178 93.8038 -37.4723 GPRESSAVG: 337600 33.9561 22.6438 -10.1681 22.8977 34.6775 93.5686 -5.44008 95.5978 -37.2815 TIMING: 337600 CPU: 1011.18, 0.00297951/step Wall: 1011.18, 0.00297951/step, 3.8588 hours remaining, 205.468750 MB of memory in use. ENERGY: 337600 760.7043 2016.7721 1948.6304 114.2460 -206088.3295 17630.7671 0.0000 0.0000 34428.7044 -149188.5052 300.6744 -183617.2097 -149086.9543 299.9199 -48.4732 -17.0895 556450.4996 10.5268 10.4507 PRESSURE: 337800 -404.424 7.17146 -23.4147 7.17109 -75.0414 38.8513 -23.4153 38.8518 123.084 GPRESSURE: 337800 -315.998 -18.734 -27.6473 63.3746 -54.0228 -19.1656 -81.7379 39.7586 122.32 PRESSAVG: 337800 46.224 -13.6756 25.0643 -13.6757 -4.17088 -0.518749 25.0643 -0.518957 -50.7418 GPRESSAVG: 337800 46.2531 -12.6186 25.4276 -14.2387 -4.37349 4.5365 24.5227 -2.98288 -50.8007 TIMING: 337800 CPU: 1011.78, 0.00300126/step Wall: 1011.78, 0.00300126/step, 3.8868 hours remaining, 205.468750 MB of memory in use. ENERGY: 337800 733.4822 2093.6091 1961.1855 107.0971 -205818.8212 17556.4905 0.0000 0.0000 34331.7805 -149035.1762 299.8280 -183366.9568 -148943.4543 299.4480 -118.7937 -82.5668 557230.5589 -2.8962 -2.9737 PRESSURE: 338000 86.0931 50.7991 323.806 50.8005 -59.5238 -46.0315 323.808 -46.0308 -148.481 GPRESSURE: 338000 163.177 108.554 259.362 56.4939 -56.679 -85.7689 243.932 -3.88918 -133.148 PRESSAVG: 338000 86.3583 24.2088 21.2962 24.2088 -4.89022 -15.5272 21.2962 -15.5272 -55.9575 GPRESSAVG: 338000 85.3421 27.0308 22.3855 22.4301 -3.83464 -19.4955 20.3653 -15.4471 -56.0542 TIMING: 338000 CPU: 1012.38, 0.00299779/step Wall: 1012.38, 0.00299779/step, 3.88214 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: 338000 725.6625 2154.8387 1954.7155 110.1388 -206130.1352 17666.1812 0.0000 0.0000 34535.5393 -148983.0592 301.6075 -183518.5985 -148881.4741 300.3141 -40.6372 -8.8833 557590.3070 8.5035 8.4844 PRESSURE: 338200 -246.958 -71.4945 74.2553 -71.4935 47.4122 105.223 74.256 105.224 -160.371 GPRESSURE: 338200 -155.659 -9.35203 79.8213 -109.191 54.0072 61.6935 73.8292 101.036 -175.108 PRESSAVG: 338200 19.1619 -22.5001 56.9011 -22.5001 -9.99552 15.0707 56.9012 15.0706 -10.0808 GPRESSAVG: 338200 19.2864 -24.8216 55.4135 -20.4834 -10.9467 15.1369 59.8239 15.1091 -9.86872 TIMING: 338200 CPU: 1012.98, 0.00297867/step Wall: 1012.98, 0.00297867/step, 3.85721 hours remaining, 205.468750 MB of memory in use. ENERGY: 338200 756.5423 2082.2583 1936.9055 113.8735 -206142.1180 17883.6927 0.0000 0.0000 34397.6815 -148971.1642 300.4035 -183368.8457 -148867.8075 299.7570 -119.9722 -92.2533 558589.5020 -0.3048 -0.5097 PRESSURE: 338400 -124.853 -226.669 139.857 -226.669 60.7212 -4.47322 139.857 -4.47463 5.23878 GPRESSURE: 338400 -30.8611 -222.819 134.772 -140.221 -5.71096 -58.1652 74.8772 -23.9541 64.5851 PRESSAVG: 338400 -21.4444 -41.8979 50.4902 -41.898 -7.94988 9.66803 50.4901 9.66795 60.8858 GPRESSAVG: 338400 -21.5384 -41.4823 50.2125 -44.1976 -6.82944 9.77758 47.7926 8.73577 60.4049 TIMING: 338400 CPU: 1013.57, 0.00297793/step Wall: 1013.57, 0.00297793/step, 3.85609 hours remaining, 205.468750 MB of memory in use. ENERGY: 338400 766.0176 2027.0880 1928.3636 104.0964 -206106.1823 17809.2658 0.0000 0.0000 34308.6649 -149162.6859 299.6261 -183471.3509 -149070.6036 299.6571 -19.6310 9.3377 558194.0454 10.4972 10.6790 PRESSURE: 338600 67.7678 -31.4572 249.523 -31.4552 -114.252 -91.6284 249.522 -91.6296 187.318 GPRESSURE: 338600 123.865 5.71198 269.197 -1.7239 -90.8832 -42.5982 203.896 -80.4403 207.089 PRESSAVG: 338600 65.2506 -24.8228 79.5215 -24.8228 -60.5474 -18.6547 79.5214 -18.6548 -0.0487329 GPRESSAVG: 338600 66.0217 -25.0207 79.0216 -22.9363 -60.9448 -18.2091 80.6262 -19.9697 0.140611 TIMING: 338600 CPU: 1014.17, 0.00300577/step Wall: 1014.17, 0.00300577/step, 3.89197 hours remaining, 205.468750 MB of memory in use. ENERGY: 338600 736.5535 2066.2448 1920.8645 118.8962 -206583.4814 17913.8470 0.0000 0.0000 34493.7445 -149333.3310 301.2425 -183827.0755 -149231.7047 299.3796 46.9446 80.0236 558632.7964 1.5515 1.7392 PRESSURE: 338800 328.637 -134.632 -119.736 -134.633 -178.319 70.1161 -119.736 70.1161 -54.0262 GPRESSURE: 338800 270.192 -40.4871 -183.192 -68.1044 -115.237 105.792 -161.584 46.9236 23.9871 PRESSAVG: 338800 85.9381 62.5183 -4.33114 62.5184 -27.1144 -2.21699 -4.3311 -2.21684 -46.5387 GPRESSAVG: 338800 86.1518 62.8096 -3.50053 63.6696 -28.1533 -2.87181 -3.38582 -0.260207 -45.9326 TIMING: 338800 CPU: 1014.77, 0.0029994/step Wall: 1014.77, 0.0029994/step, 3.88356 hours remaining, 205.468750 MB of memory in use. ENERGY: 338800 747.6397 2076.3531 1939.8518 115.3936 -206232.0476 17872.3016 0.0000 0.0000 34166.9024 -149313.6053 298.3881 -183480.5077 -149213.4364 299.2716 32.0974 59.6475 558188.3036 4.0950 4.0219 PRESSURE: 339000 129.737 45.6439 19.7834 45.6436 119.523 51.6595 19.7846 51.6572 -38.5689 GPRESSURE: 339000 117.759 -50.3675 37.5069 -27.2851 210.523 86.0029 -34.1826 87.2889 -22.0301 PRESSAVG: 339000 12.4677 33.9026 -34.8001 33.9026 2.03813 38.5312 -34.8001 38.5313 -12.4819 GPRESSAVG: 339000 12.5019 32.7537 -34.2431 29.5385 1.76467 40.9665 -38.959 38.4594 -12.177 TIMING: 339000 CPU: 1015.38, 0.00300512/step Wall: 1015.38, 0.00300512/step, 3.8908 hours remaining, 205.468750 MB of memory in use. ENERGY: 339000 719.2884 2177.6291 1917.2605 102.2333 -206663.1655 18045.8104 0.0000 0.0000 34352.4730 -149348.4708 300.0087 -183700.9438 -149259.8882 299.6743 70.2306 102.0841 557522.5132 0.6747 0.6965 PRESSURE: 339200 -160.152 91.5851 -5.74565 91.5845 62.6596 -135.145 -5.7458 -135.144 225.566 GPRESSURE: 339200 -46.5999 63.5456 30.2765 89.1516 36.8755 -129.253 -40.7524 -100.066 243.574 PRESSAVG: 339200 1.045 18.8844 -9.65608 18.8844 3.02215 -1.49506 -9.65603 -1.49505 0.29855 GPRESSAVG: 339200 0.297207 20.2874 -11.1408 23.2061 4.17702 -3.53993 -6.08091 -0.490267 0.397864 TIMING: 339200 CPU: 1015.98, 0.00301064/step Wall: 1015.98, 0.00301064/step, 3.89777 hours remaining, 205.468750 MB of memory in use. ENERGY: 339200 729.7132 2131.6878 1928.0103 110.9614 -206110.7441 17825.9660 0.0000 0.0000 34143.6512 -149240.7544 298.1850 -183384.4057 -149140.1597 299.3602 42.6912 77.9498 557503.4320 1.4552 1.6240 PRESSURE: 339400 160.919 9.60741 -80.8652 9.60682 194.21 -27.5282 -80.865 -27.5293 -8.51906 GPRESSURE: 339400 208.852 -60.2449 -85.0277 61.5011 206.004 -42.6114 -100.213 29.7392 36.6512 PRESSAVG: 339400 4.07695 -36.296 -19.1791 -36.2962 4.29546 -30.8334 -19.1791 -30.8335 -30.8905 GPRESSAVG: 339400 4.48444 -37.1812 -18.4601 -36.4249 3.30008 -29.8065 -20.679 -30.6977 -30.0995 TIMING: 339400 CPU: 1016.57, 0.00297228/step Wall: 1016.57, 0.00297228/step, 3.84795 hours remaining, 205.468750 MB of memory in use. ENERGY: 339400 733.7806 2083.5317 1923.3444 118.5856 -206240.7291 17855.6108 0.0000 0.0000 34218.2683 -149307.6076 298.8366 -183525.8759 -149207.4228 298.0663 115.5367 150.5026 557786.8144 -7.5060 -7.4383 PRESSURE: 339600 1.32653 52.4465 160.095 52.4463 -41.8596 -161.437 160.093 -161.438 75.9178 GPRESSURE: 339600 3.68769 -6.75814 185.476 37.878 12.3541 -272.015 124.38 -188.86 123.927 PRESSAVG: 339600 -4.91054 -6.83038 6.3408 -6.83035 32.7586 -24.4831 6.34067 -24.4831 0.99792 GPRESSAVG: 339600 -5.34956 -6.40437 7.09221 -7.43908 33.7051 -25.7329 6.9412 -24.0746 0.752182 TIMING: 339600 CPU: 1017.16, 0.00295994/step Wall: 1017.16, 0.00295994/step, 3.8318 hours remaining, 205.468750 MB of memory in use. ENERGY: 339600 795.3943 2062.9533 1909.4091 112.4689 -205889.5478 17790.1301 0.0000 0.0000 34007.6194 -149211.5727 296.9970 -183219.1921 -149114.2288 299.5283 11.7949 46.6563 557721.8224 9.6153 9.7026 PRESSURE: 339800 -324.624 -115.643 -57.511 -115.643 190.363 123.281 -57.5104 123.283 102.141 GPRESSURE: 339800 -292.149 -96.8047 -123.984 -45.8116 198.173 113.816 -40.2694 141.98 161.466 PRESSAVG: 339800 -119.877 1.06742 -34.3724 1.06758 31.3375 -8.70676 -34.3724 -8.70683 51.5037 GPRESSAVG: 339800 -119.667 0.37452 -34.1959 2.38924 30.5663 -8.9716 -34.0156 -8.60846 51.6864 TIMING: 339800 CPU: 1017.76, 0.00297364/step Wall: 1017.76, 0.00297364/step, 3.84938 hours remaining, 205.468750 MB of memory in use. ENERGY: 339800 786.1859 2081.2405 1934.0109 126.8457 -206452.5219 17882.3387 0.0000 0.0000 34440.0505 -149201.8497 300.7735 -183641.9002 -149104.8086 299.7560 -10.7068 22.4967 556458.4602 -12.3454 -12.4714 PRESSURE: 340000 -3.12574 -218.639 39.8224 -218.639 -67.5879 88.2529 39.8217 88.2542 -148.863 GPRESSURE: 340000 -3.35017 -283.242 80.5942 -174.948 -0.561686 42.1955 -81.8089 152.57 -118.331 PRESSAVG: 340000 -85.5019 -130.57 -48.1495 -130.57 101.755 2.81719 -48.1494 2.81721 -1.62923 GPRESSAVG: 340000 -85.4007 -131.972 -48.0543 -129.76 102.05 3.55683 -47.6275 2.63856 -2.59789 TIMING: 340000 CPU: 1018.36, 0.0030025/step Wall: 1018.36, 0.0030025/step, 3.88656 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: 340000 780.6280 2041.6984 1972.2190 110.6787 -206016.2299 17747.2898 0.0000 0.0000 34135.8544 -149227.8617 298.1169 -183363.7161 -149137.9576 299.6648 -73.1924 -40.7478 557059.8260 4.8746 4.6839 PRESSURE: 340200 -153.856 18.9591 -44.092 18.9596 -183.708 140.634 -44.0933 140.633 -117.755 GPRESSURE: 340200 -70.5038 34.4717 -20.6182 76.0793 -186.034 86.8789 -34.5321 100.265 -118.823 PRESSAVG: 340200 -34.8636 -44.882 -51.5878 -44.8821 36.1358 13.0118 -51.5878 13.0118 -44.4172 GPRESSAVG: 340200 -34.4974 -44.6118 -50.0066 -45.5473 35.3593 13.7731 -53.3454 11.1279 -44.3403 TIMING: 340200 CPU: 1018.97, 0.00304496/step Wall: 1018.97, 0.00304496/step, 3.94136 hours remaining, 205.468750 MB of memory in use. ENERGY: 340200 752.5135 2070.6154 1954.0162 111.4939 -205557.4970 17555.0475 0.0000 0.0000 33937.5186 -149176.2919 296.3848 -183113.8105 -149074.9538 298.9238 -151.7726 -125.1203 559632.3658 -14.3817 -14.4928 LDB: ============= START OF LOAD BALANCING ============== 1022.48 LDB: ============== END OF LOAD BALANCING =============== 1022.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1022.49 LDB: ============= START OF LOAD BALANCING ============== 1022.79 LDB: Largest compute 4773 load 0.030910 is 26.2% of average load 0.117811 LDB: Average compute 0.001734 is 1.5% of average load 0.117811 LDB: TIME 1022.79 LOAD: AVG 0.117811 MAX 0.207755 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.297 MB LDB: TIME 1022.79 LOAD: AVG 0.117811 MAX 0.207755 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.297 MB LDB: TIME 1022.79 LOAD: AVG 0.117811 MAX 0.207755 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.297 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1022.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1022.8 PRESSURE: 340400 -87.0281 51.4703 60.0632 51.4712 -140.582 -110.444 60.0637 -110.442 46.5232 GPRESSURE: 340400 -22.432 43.1142 62.8016 21.9975 -128.716 -15.7314 113.618 -132.157 69.4101 PRESSAVG: 340400 -31.5792 -4.68178 -18.8512 -4.68167 -18.6846 11.9074 -18.8512 11.9073 39.7476 GPRESSAVG: 340400 -31.3918 -3.28694 -21.76 -5.87543 -19.1928 9.20791 -18.2772 14.4262 39.8244 TIMING: 340400 CPU: 1019.58, 0.00305484/step Wall: 1019.58, 0.00305484/step, 3.95399 hours remaining, 205.199219 MB of memory in use. ENERGY: 340400 761.5373 2075.4451 1930.0571 99.2431 -206200.0785 17735.2287 0.0000 0.0000 34236.3965 -149362.1708 298.9950 -183598.5672 -149267.4678 298.9756 -60.3622 -27.2459 558819.0109 -3.5054 -3.5867 PRESSURE: 340600 36.9321 -91.7044 -44.4873 -91.7046 28.7199 248.733 -44.4866 248.734 -97.4521 GPRESSURE: 340600 46.4881 -6.00108 26.1395 -194.253 20.1925 174.513 -47.9426 257.522 12.0176 PRESSAVG: 340600 -87.1759 1.86416 -8.39743 1.86412 36.0373 -45.1125 -8.39743 -45.1125 6.19868 GPRESSAVG: 340600 -87.8613 1.00663 -7.06276 1.8211 36.5489 -42.1069 -8.77865 -46.6343 6.217 TIMING: 340600 CPU: 1020.18, 0.00299047/step Wall: 1020.18, 0.00299047/step, 3.8705 hours remaining, 205.199219 MB of memory in use. ENERGY: 340600 771.2153 2080.1333 1934.7963 115.8563 -206539.5029 18060.4757 0.0000 0.0000 34099.0915 -149477.9343 297.7958 -183577.0259 -149378.7009 298.4657 -10.6000 26.2328 558210.8831 -14.9800 -15.0318 PRESSURE: 340800 189.045 -47.1591 8.336 -47.1589 -62.3365 -34.0001 8.33661 -33.9994 88.8202 GPRESSURE: 340800 245.597 -56.2821 -44.7391 -14.3541 -33.9366 -43.8387 77.1398 -59.6132 85.877 PRESSAVG: 340800 26.838 56.0386 53.701 56.0384 3.37085 61.1723 53.7009 61.1723 3.99863 GPRESSAVG: 340800 27.5939 54.3375 53.366 56.5014 2.75491 60.0691 55.145 62.8861 3.71478 TIMING: 340800 CPU: 1020.78, 0.00301194/step Wall: 1020.78, 0.00301194/step, 3.89811 hours remaining, 205.199219 MB of memory in use. ENERGY: 340800 744.6024 2073.9077 1959.0617 111.2546 -206660.1814 18119.7682 0.0000 0.0000 34302.6859 -149348.9009 299.5739 -183651.5868 -149251.5447 298.9503 71.8430 99.1792 557651.1602 11.4025 11.3545 PRESSURE: 341000 10.7836 -38.6816 -31.0458 -38.6814 33.7541 -56.7013 -31.0441 -56.7024 188.772 GPRESSURE: 341000 34.5809 -12.3187 -43.2699 4.34123 31.352 -144.302 53.5332 -70.1438 249.442 PRESSAVG: 341000 -31.5271 5.7212 -1.24222 5.7212 22.7684 4.24918 -1.24219 4.24914 -8.35048 GPRESSAVG: 341000 -31.5213 7.48711 0.582514 5.81361 21.973 4.23947 -2.93053 1.56357 -7.53867 TIMING: 341000 CPU: 1021.38, 0.00298288/step Wall: 1021.38, 0.00298288/step, 3.86034 hours remaining, 205.199219 MB of memory in use. ENERGY: 341000 758.1827 2115.8661 1950.5945 113.1002 -206699.2026 18005.8767 0.0000 0.0000 34314.5738 -149441.0085 299.6777 -183755.5824 -149349.7057 299.3806 77.7699 105.1248 556632.9641 -5.7030 -5.6956 PRESSURE: 341200 -197.58 111.872 73.8575 111.871 -274.565 -47.5133 73.8565 -47.5129 -149.738 GPRESSURE: 341200 -155.729 58.3502 65.3805 103.647 -208.549 -18.1214 53.4299 -84.4216 -156.71 PRESSAVG: 341200 11.9845 -36.715 8.86197 -36.715 4.18686 67.5695 8.86182 67.5696 18.9126 GPRESSAVG: 341200 12.2243 -36.9218 6.65404 -37.0703 5.48723 69.9094 9.74066 68.5312 17.7921 TIMING: 341200 CPU: 1021.97, 0.00298751/step Wall: 1021.97, 0.00298751/step, 3.86616 hours remaining, 205.199219 MB of memory in use. ENERGY: 341200 781.5675 2071.7257 1946.2718 108.7180 -206110.5159 17520.6735 0.0000 0.0000 34375.7991 -149305.7603 300.2124 -183681.5594 -149205.3581 299.8960 -207.2944 -173.6629 556474.6543 11.6947 11.8345 PRESSURE: 341400 -150.819 -40.4676 -0.783401 -40.4685 8.8253 -77.5525 -0.781385 -77.5529 74.978 GPRESSURE: 341400 -91.6436 -67.52 66.6613 -55.3826 54.8215 -110.25 -75.8171 -15.8705 57.3722 PRESSAVG: 341400 48.2209 18.5568 -17.672 18.5568 -71.9563 36.0549 -17.6721 36.0548 26.855 GPRESSAVG: 341400 47.4485 17.1699 -17.251 19.4003 -72.0583 34.9985 -18.233 35.2479 27.6829 TIMING: 341400 CPU: 1022.57, 0.0030072/step Wall: 1022.57, 0.0030072/step, 3.89149 hours remaining, 205.199219 MB of memory in use. ENERGY: 341400 773.6012 2106.7689 1975.9712 104.9709 -205954.2777 17597.3364 0.0000 0.0000 34209.6429 -149185.9862 298.7613 -183395.6291 -149084.1113 299.4754 -22.3384 6.8500 556273.4783 1.0399 1.0244 PRESSURE: 341600 -87.588 24.0213 -44.2438 24.0221 107.845 5.88964 -44.2439 5.88931 87.3603 GPRESSURE: 341600 -20.6425 101.261 -49.1422 64.407 83.8574 -5.90177 -17.9536 60.5735 133.551 PRESSAVG: 341600 -3.30433 51.3468 5.2249 51.3468 -56.672 22.7439 5.22497 22.7439 46.4753 GPRESSAVG: 341600 -3.70914 53.2267 5.61998 50.9621 -56.0563 23.4256 6.01672 21.6073 46.8332 TIMING: 341600 CPU: 1023.18, 0.00300222/step Wall: 1023.18, 0.00300222/step, 3.88488 hours remaining, 205.199219 MB of memory in use. ENERGY: 341600 764.0327 2086.9288 1955.8638 102.2804 -206451.9647 18007.4811 0.0000 0.0000 34160.7788 -149374.5990 298.3346 -183535.3778 -149277.6385 298.5327 35.8724 65.5886 557014.1951 -4.5003 -4.3107 PRESSURE: 341800 122.709 -152.343 -23.5296 -152.343 216.449 -38.0697 -23.5301 -38.0689 40.4796 GPRESSURE: 341800 129.367 -168.828 33.7344 -188.829 291.869 -4.43017 -67.5255 -39.3702 50.3671 PRESSAVG: 341800 5.73177 -4.49099 18.6051 -4.49094 5.34861 -38.7414 18.605 -38.7413 1.39772 GPRESSAVG: 341800 6.63466 -4.18956 19.9879 -4.5597 4.79797 -38.0142 17.2813 -37.8816 1.71578 TIMING: 341800 CPU: 1023.78, 0.00300825/step Wall: 1023.78, 0.00300825/step, 3.89251 hours remaining, 205.199219 MB of memory in use. ENERGY: 341800 768.8160 2114.2591 1947.9381 115.4898 -206503.0881 17997.1879 0.0000 0.0000 34249.3034 -149310.0937 299.1077 -183559.3971 -149208.6513 299.2671 126.5459 157.2008 556508.9202 4.1594 4.3828 PRESSURE: 342000 147.386 92.4369 23.1049 92.4362 81.3915 139.462 23.1056 139.462 -48.8241 GPRESSURE: 342000 178.377 33.05 -17.3245 113.447 106.712 8.7588 -33.3522 159.303 -2.85409 PRESSAVG: 342000 10.6367 17.5145 35.4888 17.5144 80.2601 -14.9568 35.4888 -14.9567 -67.4822 GPRESSAVG: 342000 10.6391 16.1224 34.3983 18.3457 79.806 -16.9425 36.1213 -14.1562 -67.1166 TIMING: 342000 CPU: 1024.38, 0.00300206/step Wall: 1024.38, 0.00300206/step, 3.88433 hours remaining, 205.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 342000 709.2670 2120.2207 1947.6530 112.7259 -206434.1967 17918.7290 0.0000 0.0000 34377.8084 -149247.7928 300.2300 -183625.6011 -149151.9064 299.3220 59.9846 94.0783 555270.2614 7.8049 7.7762 PRESSURE: 342200 109.667 23.015 -51.5504 23.0151 -47.2284 126.494 -51.5497 126.495 -173.531 GPRESSURE: 342200 158.227 6.09324 -7.10594 -24.7709 -43.8776 109.48 -50.8439 150.127 -137.337 PRESSAVG: 342200 30.1219 22.3342 -14.2645 22.3343 4.17993 -1.02611 -14.2645 -1.0261 -8.45092 GPRESSAVG: 342200 30.0262 22.1045 -14.2452 22.4618 3.21701 -2.14706 -15.6762 -1.41619 -7.76838 TIMING: 342200 CPU: 1024.98, 0.00299968/step Wall: 1024.98, 0.00299968/step, 3.88109 hours remaining, 205.199219 MB of memory in use. ENERGY: 342200 732.6148 2104.4405 1937.3007 107.0319 -206141.9836 17787.3933 0.0000 0.0000 34197.8293 -149275.3731 298.6581 -183473.2024 -149190.6440 299.3074 -37.0306 -7.6628 557280.5939 8.6170 8.4916 PRESSURE: 342400 290.678 -23.4864 122.187 -23.4872 23.1372 53.5967 122.188 53.5954 -68.3288 GPRESSURE: 342400 320.731 -72.1987 73.6996 60.1937 43.978 77.3412 128.314 17.5822 -27.9773 PRESSAVG: 342400 17.6468 74.2257 0.842429 74.2257 -11.4055 -2.3667 0.842385 -2.36675 25.4425 GPRESSAVG: 342400 17.4689 75.9167 2.18451 71.3073 -11.1311 0.601149 0.656494 -2.6502 24.5285 TIMING: 342400 CPU: 1025.58, 0.00302654/step Wall: 1025.58, 0.00302654/step, 3.91568 hours remaining, 205.199219 MB of memory in use. ENERGY: 342400 728.2307 2096.1403 1935.2192 116.9793 -206346.4627 17948.6900 0.0000 0.0000 34301.4411 -149219.7622 299.5630 -183521.2033 -149127.4889 299.4091 81.8288 112.2438 558231.9126 10.5613 10.2888 PRESSURE: 342600 -19.3823 92.8418 87.1669 92.842 -193.442 74.2879 87.1673 74.287 -99.6618 GPRESSURE: 342600 12.6656 86.6615 62.038 129.064 -162.707 -8.72748 124.665 45.6617 -74.9767 PRESSAVG: 342600 -25.9241 59.2535 20.2783 59.2535 -15.9245 16.9207 20.2783 16.9208 10.5671 GPRESSAVG: 342600 -26.5052 56.5955 19.8183 61.9512 -15.3429 14.551 20.6462 17.9932 10.6898 TIMING: 342600 CPU: 1026.18, 0.00300986/step Wall: 1026.18, 0.00300986/step, 3.89392 hours remaining, 205.199219 MB of memory in use. ENERGY: 342600 742.2617 2068.8319 1974.4160 128.3908 -205915.9203 17552.1675 0.0000 0.0000 34079.0866 -149370.7658 297.6211 -183449.8524 -149273.1912 298.6268 -104.1621 -75.0060 558446.0667 -10.4271 -10.3861 PRESSURE: 342800 -12.0203 266.462 6.57751 266.463 103.174 13.7675 6.57814 13.7671 -39.5343 GPRESSURE: 342800 -3.97009 242.297 18.3084 243.5 134.981 36.068 -43.8441 12.0617 8.82412 PRESSAVG: 342800 -13.0111 37.4455 16.3951 37.4456 41.7463 0.452272 16.3951 0.452248 -5.36969 GPRESSAVG: 342800 -13.1239 38.9169 16.998 38.4804 41.6009 1.76425 16.036 -0.323402 -5.463 TIMING: 342800 CPU: 1026.79, 0.00300787/step Wall: 1026.79, 0.00300787/step, 3.89119 hours remaining, 205.199219 MB of memory in use. ENERGY: 342800 780.8585 2011.1767 1955.3862 118.8366 -206501.8922 18047.5443 0.0000 0.0000 34242.0510 -149346.0389 299.0443 -183588.0899 -149248.3730 298.4783 17.2064 46.6116 557946.5112 7.7885 7.6714 PRESSURE: 343000 -87.7088 84.8728 -1.55445 84.8742 -73.454 159.281 -1.5539 159.282 -225.586 GPRESSURE: 343000 -32.047 137.052 107.015 -28.8342 18.5935 173.534 -125.843 180.932 -286.459 PRESSAVG: 343000 5.57098 101.217 28.7841 101.217 27.3162 6.03067 28.784 6.03077 -72.9522 GPRESSAVG: 343000 5.2508 102.961 28.9066 97.7578 27.487 2.69502 28.8341 7.92523 -72.3891 TIMING: 343000 CPU: 1027.39, 0.00300868/step Wall: 1027.39, 0.00300868/step, 3.89206 hours remaining, 205.199219 MB of memory in use. ENERGY: 343000 747.4211 2051.0029 1962.3919 118.9774 -206039.0873 17710.1149 0.0000 0.0000 34202.3223 -149246.8569 298.6974 -183449.1792 -149157.5505 298.9862 -128.9162 -99.9707 558245.5461 -13.3550 -13.2171 PRESSURE: 343200 -150.024 -149.147 143.062 -149.147 -53.3598 44.2351 143.062 44.2353 -77.3822 GPRESSURE: 343200 -107.981 -165.273 119.073 -78.7768 -39.655 10.1964 83.5263 157.743 -42.8641 PRESSAVG: 343200 -18.9976 -16.2941 -11.3494 -16.294 -54.5447 2.14077 -11.3494 2.14072 59.604 GPRESSAVG: 343200 -18.3449 -16.3854 -11.8962 -16.0721 -54.332 4.68235 -10.7961 1.64181 58.6978 TIMING: 343200 CPU: 1027.99, 0.00300352/step Wall: 1027.99, 0.00300352/step, 3.88522 hours remaining, 205.199219 MB of memory in use. ENERGY: 343200 733.4214 2095.7412 1950.6594 113.9363 -205995.8021 17609.2477 0.0000 0.0000 34137.2117 -149355.5845 298.1288 -183492.7962 -149261.8676 298.6206 -93.5888 -63.5001 558105.3237 -4.6461 -4.6597 PRESSURE: 343400 -37.974 -5.28291 -124.908 -5.28391 -28.0112 106.034 -124.909 106.034 84.9631 GPRESSURE: 343400 21.7078 -12.9139 -115.608 47.4528 7.37168 72.1184 -97.2589 39.8888 92.2084 PRESSAVG: 343400 -16.9481 -4.75171 -6.55384 -4.7518 55.4976 -1.98382 -6.55381 -1.98373 41.0243 GPRESSAVG: 343400 -17.0205 -5.55581 -7.21987 -4.28244 55.2926 -1.56826 -7.29952 -4.22093 40.9852 TIMING: 343400 CPU: 1028.59, 0.0029939/step Wall: 1028.59, 0.0029939/step, 3.8726 hours remaining, 205.199219 MB of memory in use. ENERGY: 343400 737.0980 2068.9634 1961.4569 118.2302 -206385.7675 17848.0825 0.0000 0.0000 34265.8972 -149386.0394 299.2526 -183651.9366 -149290.1206 298.0770 6.3260 40.4293 557065.9781 26.5246 26.4191 PRESSURE: 343600 -311.989 -23.0044 148.603 -23.0047 -230.116 -22.4117 148.603 -22.4101 -276.335 GPRESSURE: 343600 -249.755 -19.1422 232.984 -47.4685 -195.047 -87.314 39.147 15.5289 -273.121 PRESSAVG: 343600 10.6988 -19.3253 6.55964 -19.3252 -6.58625 -16.8528 6.55963 -16.8529 4.29636 GPRESSAVG: 343600 9.96239 -18.2278 9.04244 -20.5377 -6.63698 -16.0587 4.46342 -16.8971 4.85706 TIMING: 343600 CPU: 1029.18, 0.00297961/step Wall: 1029.18, 0.00297961/step, 3.85395 hours remaining, 205.199219 MB of memory in use. ENERGY: 343600 747.2597 2078.3771 1937.2745 107.3671 -205792.1285 17457.2723 0.0000 0.0000 34183.4427 -149281.1350 298.5325 -183464.5778 -149188.3212 298.2935 -272.8133 -239.3076 557308.9183 2.8030 2.7275 PRESSURE: 343800 -199.568 58.3295 -93.9723 58.3285 45.6845 -2.67587 -93.9725 -2.67623 -197.533 GPRESSURE: 343800 -177.467 90.313 -84.2172 107.036 82.7197 78.9825 -87.5739 -77.8268 -160.492 PRESSAVG: 343800 -13.3256 12.5573 0.955537 12.5572 75.5363 18.7203 0.955594 18.7204 28.5707 GPRESSAVG: 343800 -12.6573 11.085 0.626982 14.0937 74.1476 16.7817 0.717345 18.5862 28.6994 TIMING: 343800 CPU: 1029.78, 0.00297883/step Wall: 1029.78, 0.00297883/step, 3.85279 hours remaining, 205.199219 MB of memory in use. ENERGY: 343800 745.5739 2052.2944 1968.5711 102.8369 -206114.8657 17612.8710 0.0000 0.0000 34531.9381 -149100.7804 301.5760 -183632.7185 -149004.2333 299.5432 -117.1385 -85.0799 557357.1224 30.2605 30.0633 PRESSURE: 344000 -136.801 -136.703 111.993 -136.703 -148.67 142.902 111.994 142.904 -200.01 GPRESSURE: 344000 -155.738 -175.322 84.9456 -152.854 -131.238 143.278 53.169 93.1029 -112.919 PRESSAVG: 344000 -35.5822 -9.87922 63.9898 -9.87926 16.0661 28.1087 63.9898 28.1088 2.26659 GPRESSAVG: 344000 -34.5465 -8.72336 61.7524 -10.2855 15.9113 27.5329 64.8839 29.7118 0.866822 TIMING: 344000 CPU: 1030.37, 0.00297778/step Wall: 1030.37, 0.00297778/step, 3.85126 hours remaining, 205.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 344000 758.6893 2078.3815 1957.3917 110.3509 -205918.7632 17641.5444 0.0000 0.0000 34180.5568 -149191.8486 298.5073 -183372.4054 -149095.3571 299.5403 -161.8269 -133.2981 558222.5126 -5.7498 -5.9228 PRESSURE: 344200 -325.363 -78.5312 64.1059 -78.5312 -227.647 -30.109 64.1058 -30.1082 -355.752 GPRESSURE: 344200 -295.006 -62.7198 -15.4219 -82.4416 -234.281 0.484845 143.888 -14.5236 -290.98 PRESSAVG: 344200 20.1318 -22.4651 46.2635 -22.4651 -26.7523 8.15486 46.2635 8.15476 -34.2046 GPRESSAVG: 344200 19.7035 -23.2641 47.1179 -23.3522 -26.7982 9.10514 46.6873 7.75095 -33.387 TIMING: 344200 CPU: 1030.97, 0.00299906/step Wall: 1030.97, 0.00299906/step, 3.87862 hours remaining, 205.199219 MB of memory in use. ENERGY: 344200 751.7933 2036.0100 1953.7417 106.3293 -205761.3207 17488.4839 0.0000 0.0000 34209.2174 -149215.7450 298.7576 -183424.9625 -149124.9088 298.8244 -302.9209 -273.4223 560205.1847 -13.6084 -13.4939 LDB: ============= START OF LOAD BALANCING ============== 1034.49 LDB: ============== END OF LOAD BALANCING =============== 1034.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1034.49 LDB: ============= START OF LOAD BALANCING ============== 1034.79 LDB: Largest compute 4773 load 0.032939 is 27.9% of average load 0.117910 LDB: Average compute 0.001727 is 1.5% of average load 0.117910 LDB: TIME 1034.8 LOAD: AVG 0.11791 MAX 0.208482 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.996 MB LDB: TIME 1034.8 LOAD: AVG 0.11791 MAX 0.208482 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.07 MB LDB: TIME 1034.8 LOAD: AVG 0.11791 MAX 0.208482 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.07 MB LDB: ============== END OF LOAD BALANCING =============== 1034.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1034.8 PRESSURE: 344400 267.654 -279.722 -31.2598 -279.722 35.654 94.4789 -31.2593 94.4782 41.6087 GPRESSURE: 344400 311.598 -164.986 -14.4828 -326.737 20.8987 169.909 13.6239 63.1115 112.424 PRESSAVG: 344400 -47.183 9.75961 34.855 9.75966 -16.2321 52.2642 34.855 52.2642 50.6758 GPRESSAVG: 344400 -46.5423 9.91087 33.0611 10.3758 -16.2896 53.675 36.8672 51.7363 50.7087 TIMING: 344400 CPU: 1031.58, 0.00305258/step Wall: 1031.58, 0.00305258/step, 3.94766 hours remaining, 205.054688 MB of memory in use. ENERGY: 344400 730.6132 2086.3496 1959.7572 112.9384 -206656.2195 18193.0404 0.0000 0.0000 34294.0880 -149279.4327 299.4988 -183573.5207 -149182.9774 299.0705 114.9722 148.3070 559161.0525 -4.2464 -4.0411 PRESSURE: 344600 23.2732 -25.5726 -124.543 -25.5725 -298.391 -98.792 -124.544 -98.7944 108.201 GPRESSURE: 344600 59.7691 -20.1583 -122.634 -32.3542 -215.633 -139.848 -79.8715 -105.907 91.2017 PRESSAVG: 344600 -3.83207 -41.7229 -2.14355 -41.7229 -58.0738 -50.4242 -2.14364 -50.4243 53.7577 GPRESSAVG: 344600 -4.4593 -41.0269 -2.69792 -40.4302 -56.3261 -53.1417 -1.73405 -48.3491 52.7739 TIMING: 344600 CPU: 1032.18, 0.00299473/step Wall: 1032.18, 0.00299473/step, 3.87268 hours remaining, 205.054688 MB of memory in use. ENERGY: 344600 724.8124 2091.5637 1942.0032 92.1967 -206128.1445 17771.2366 0.0000 0.0000 34298.6732 -149207.6587 299.5388 -183506.3319 -149109.3378 299.4379 -55.6392 -21.5542 558909.9606 -2.7161 -2.6705 PRESSURE: 344800 129.898 125.943 2.49985 125.942 -74.1193 -218.039 2.49963 -218.038 99.7168 GPRESSURE: 344800 80.935 205.04 32.2374 98.8649 -15.3908 -193.62 -24.1947 -239.601 183.099 PRESSAVG: 344800 -55.2222 -5.57322 25.9434 -5.57317 -54.9299 -7.57104 25.9435 -7.57108 82.0576 GPRESSAVG: 344800 -56.1979 -6.33764 27.2457 -5.6128 -55.2972 -8.11692 25.6967 -6.79029 83.5937 TIMING: 344800 CPU: 1032.78, 0.00300401/step Wall: 1032.78, 0.00300402/step, 3.88453 hours remaining, 205.054688 MB of memory in use. ENERGY: 344800 732.4218 2136.2959 1962.8805 105.5043 -206291.5077 18016.6581 0.0000 0.0000 34113.8677 -149223.8793 297.9249 -183337.7471 -149129.1547 300.0050 51.8319 82.8809 557139.4376 -9.3648 -9.3005 PRESSURE: 345000 -176.723 -60.7234 -39.1027 -60.7229 -135.871 -26.9987 -39.102 -26.9994 -5.95447 GPRESSURE: 345000 -70.208 -138.376 25.0893 -68.8955 -112.726 -86.4609 -128.569 3.84238 -32.7136 PRESSAVG: 345000 -27.5261 14.2111 -30.555 14.2111 30.7378 11.0393 -30.555 11.0393 18.8438 GPRESSAVG: 345000 -26.3985 12.9694 -29.9485 15.6042 30.4276 13.1762 -32.5442 8.80029 18.7945 TIMING: 345000 CPU: 1033.39, 0.00300442/step Wall: 1033.39, 0.00300442/step, 3.88488 hours remaining, 205.054688 MB of memory in use. ENERGY: 345000 757.2428 2019.5086 1981.4436 99.6792 -206123.9184 17930.2338 0.0000 0.0000 34167.6278 -149168.1827 298.3944 -183335.8106 -149071.5436 299.4770 -106.1828 -71.8824 557233.4888 7.3519 7.6079 PRESSURE: 345200 -38.7444 -174.499 3.8135 -174.498 -61.4496 68.4369 3.81343 68.4362 -141.277 GPRESSURE: 345200 7.01912 -233.704 49.0594 -166.878 -23.2364 47.2318 96.2968 28.7617 -141.378 PRESSAVG: 345200 -1.74982 4.80618 30.1106 4.80623 21.7597 8.36373 30.1105 8.36373 -19.1827 GPRESSAVG: 345200 -1.71311 6.91505 30.3121 2.32288 21.4802 8.12481 32.1943 8.72395 -18.7451 TIMING: 345200 CPU: 1033.99, 0.00303383/step Wall: 1033.99, 0.00303383/step, 3.92274 hours remaining, 205.054688 MB of memory in use. ENERGY: 345200 723.8276 2064.2061 1969.2826 106.7775 -205912.4792 17684.8169 0.0000 0.0000 34394.7169 -148968.8515 300.3776 -183363.5684 -148870.8269 299.3355 -80.4903 -52.5319 558733.3552 0.2757 0.3407 PRESSURE: 345400 90.5918 -139.155 -17.6648 -139.157 77.4429 7.89074 -17.6661 7.89061 -72.9774 GPRESSURE: 345400 104.623 -143.24 -19.958 -184.124 132.267 -7.54439 38.8498 53.0699 -50.3248 PRESSAVG: 345400 -49.8594 -69.7495 6.72429 -69.7495 52.0182 1.63123 6.72438 1.63138 -19.6303 GPRESSAVG: 345400 -48.5817 -70.3638 7.38383 -68.2795 51.8676 2.19414 5.70281 0.321434 -20.1012 TIMING: 345400 CPU: 1034.59, 0.00298522/step Wall: 1034.59, 0.00298522/step, 3.85972 hours remaining, 205.054688 MB of memory in use. ENERGY: 345400 732.0963 2065.5523 1939.7060 105.3578 -206378.4340 18012.7930 0.0000 0.0000 34419.3883 -149103.5403 300.5931 -183522.9286 -149014.1108 299.5641 31.6858 62.1883 558200.4431 -5.8238 -5.6051 PRESSURE: 345600 -205.381 23.0797 48.1528 23.0796 -56.5311 -292.826 48.1542 -292.828 -3.37344 GPRESSURE: 345600 -223.851 -50.6632 6.26825 -58.0204 48.2327 -241.314 48.5219 -256.873 17.9599 PRESSAVG: 345600 -56.7156 -15.3237 24.9645 -15.3237 75.5794 -12.3898 24.9645 -12.3899 8.2646 GPRESSAVG: 345600 -58.0763 -15.3473 23.981 -16.5608 76.1295 -15.9492 24.125 -11.0653 9.65526 TIMING: 345600 CPU: 1035.19, 0.00298839/step Wall: 1035.19, 0.00298839/step, 3.86365 hours remaining, 205.054688 MB of memory in use. ENERGY: 345600 759.4868 2099.7989 1943.9088 118.6215 -206225.6852 17763.1146 0.0000 0.0000 34313.7947 -149226.9598 299.6709 -183540.7545 -149121.0338 299.2846 -88.4284 -52.5528 557088.1014 9.0428 9.2361 PRESSURE: 345800 -91.0612 -146.398 17.1195 -146.398 48.9746 -209.743 17.1201 -209.742 214.414 GPRESSURE: 345800 -83.3638 -94.3359 64.9772 -193.363 92.0143 -226.094 -9.70713 -156.457 255.194 PRESSAVG: 345800 -93.4246 -52.9987 -3.09952 -52.9988 65.2417 -3.94422 -3.09951 -3.94428 68.9963 GPRESSAVG: 345800 -92.6165 -50.4144 -1.99303 -54.8355 65.8903 -1.19482 -2.43188 -3.82481 67.694 TIMING: 345800 CPU: 1035.78, 0.00296704/step Wall: 1035.78, 0.00296704/step, 3.83589 hours remaining, 205.054688 MB of memory in use. ENERGY: 345800 756.5009 2078.3213 1955.9738 110.9887 -205979.4080 17760.6699 0.0000 0.0000 34167.2972 -149149.6562 298.3915 -183316.9534 -149057.6964 299.8937 57.4423 87.9483 557636.9884 13.6045 13.6559 PRESSURE: 346000 232.02 -81.2576 108.546 -81.2594 199.861 -27.0474 108.547 -27.0479 173.618 GPRESSURE: 346000 216.63 -99.7227 24.2998 -52.8756 249.837 -24.0006 189.389 -36.4974 237.763 PRESSAVG: 346000 27.5021 -30.6733 1.89772 -30.6734 20.415 1.80118 1.89773 1.80103 9.57187 GPRESSAVG: 346000 28.0987 -31.7185 1.58815 -29.5773 20.3633 3.10782 1.68837 1.03725 9.04915 TIMING: 346000 CPU: 1036.38, 0.00299513/step Wall: 1036.38, 0.00299513/step, 3.87204 hours remaining, 205.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 346000 759.6392 2113.1784 1958.8830 109.1640 -206509.8216 18157.5821 0.0000 0.0000 34226.4159 -149184.9590 298.9078 -183411.3749 -149080.5708 298.9161 201.8330 234.7434 557156.1017 19.1630 19.1704 PRESSURE: 346200 -252.775 -30.6124 55.5836 -30.6126 -167.222 -94.5288 55.5829 -94.53 -208.696 GPRESSURE: 346200 -208.828 -64.0886 107.411 -31.2457 -117.578 -127.225 0.331637 1.32907 -196.997 PRESSAVG: 346200 -70.8923 -34.1639 -1.7318 -34.1639 42.8058 -32.5112 -1.73173 -32.5111 23.9913 GPRESSAVG: 346200 -71.8387 -35.8896 -2.84114 -33.3943 42.0608 -33.8868 -1.19438 -30.6598 25.7935 TIMING: 346200 CPU: 1036.98, 0.00300018/step Wall: 1036.98, 0.00300018/step, 3.8784 hours remaining, 205.054688 MB of memory in use. ENERGY: 346200 786.7112 2111.6208 1953.5269 113.5757 -205886.1946 17546.2227 0.0000 0.0000 34057.9310 -149316.6063 297.4364 -183374.5372 -149221.4825 299.0404 -209.5646 -174.4673 559299.4115 -1.3651 -1.3281 PRESSURE: 346400 -29.9918 -132.999 95.403 -133.001 -129.751 19.5886 95.4034 19.5897 -261.689 GPRESSURE: 346400 8.3479 -142.12 55.0882 -66.9939 -127.607 -30.0944 81.5004 54.4992 -195.328 PRESSAVG: 346400 42.7873 -27.2469 -4.25998 -27.2469 -25.3847 -65.3829 -4.25991 -65.3829 5.98526 GPRESSAVG: 346400 42.7097 -25.9607 -6.15199 -27.2336 -24.6759 -65.0835 -3.73058 -65.373 6.04569 TIMING: 346400 CPU: 1037.58, 0.00299234/step Wall: 1037.58, 0.00299234/step, 3.8681 hours remaining, 205.054688 MB of memory in use. ENERGY: 346400 772.6246 2105.9269 1948.7431 114.4922 -206026.1665 17702.2583 0.0000 0.0000 34252.7949 -149129.3265 299.1382 -183382.1214 -149033.3957 299.3223 -140.4772 -104.8622 559721.8953 7.7959 8.0265 PRESSURE: 346600 151.274 -90.5078 -158.425 -90.507 182.022 -11.1457 -158.425 -11.1434 313.331 GPRESSURE: 346600 200.115 -162.456 -126.846 -76.0364 169.092 -39.2349 -176.713 -6.93704 368.103 PRESSAVG: 346600 9.51234 11.8407 -44.0265 11.8408 -71.8578 28.1883 -44.0265 28.1884 43.2962 GPRESSAVG: 346600 10.0421 11.3133 -41.8703 11.2038 -71.4152 28.3781 -44.3495 27.4168 42.616 TIMING: 346600 CPU: 1038.18, 0.00300086/step Wall: 1038.18, 0.00300086/step, 3.87895 hours remaining, 205.054688 MB of memory in use. ENERGY: 346600 748.8428 2051.3155 1934.3088 118.7274 -206406.7981 18078.8493 0.0000 0.0000 34237.4713 -149237.2830 299.0044 -183474.7543 -149134.9554 300.0018 215.5422 245.7699 557493.2461 -6.3497 -6.2524 PRESSURE: 346800 283.417 54.1642 48.9035 54.1633 206.267 -21.9619 48.9031 -21.9618 68.9019 GPRESSURE: 346800 291.528 25.2287 44.8238 98.1609 246.864 -48.1013 27.6109 -38.3498 121.556 PRESSAVG: 346800 -26.2715 -14.2191 -35.1428 -14.2191 19.6549 -27.9376 -35.1428 -27.9376 11.9386 GPRESSAVG: 346800 -26.6531 -12.8431 -34.1191 -14.4945 19.4595 -29.1501 -36.1905 -26.8734 12.1374 TIMING: 346800 CPU: 1038.78, 0.00302792/step Wall: 1038.78, 0.00302792/step, 3.91376 hours remaining, 205.054688 MB of memory in use. ENERGY: 346800 716.5710 2074.4596 1942.0699 112.7185 -205998.9893 17969.1407 0.0000 0.0000 34051.0680 -149132.9617 297.3764 -183184.0297 -149040.0823 299.2738 186.1951 219.9824 557384.3211 1.7740 1.6479 PRESSURE: 347000 5.82176 45.2736 -109.006 45.2743 229.006 -98.026 -109.006 -98.0259 -146.492 GPRESSURE: 347000 71.3035 76.5802 -200.109 73.5346 252.481 -79.3854 -78.6074 -125.587 -139.072 PRESSAVG: 347000 -11.4065 12.4461 -14.7038 12.446 -1.24461 -0.819729 -14.7039 -0.819721 23.1237 GPRESSAVG: 347000 -11.8947 11.8352 -16.2776 13.2647 -2.16943 -1.1212 -12.3739 -0.279338 23.8215 TIMING: 347000 CPU: 1039.38, 0.00299919/step Wall: 1039.38, 0.00299919/step, 3.87645 hours remaining, 205.054688 MB of memory in use. ENERGY: 347000 718.8794 2137.6887 1930.7086 102.7199 -206388.8823 17954.3577 0.0000 0.0000 34234.9640 -149309.5641 298.9825 -183544.5281 -149216.1071 298.8729 29.4451 61.5710 558007.7539 3.4909 3.2525 PRESSURE: 347200 -195.784 -53.2758 -62.0446 -53.2771 -111.431 -21.3299 -62.0451 -21.3304 -72.1468 GPRESSURE: 347200 -136.027 -116.956 -14.7939 -8.38387 -101.028 -43.8962 -146.756 -48.0957 -34.4764 PRESSAVG: 347200 18.7412 -30.7667 -21.1347 -30.7666 -42.432 29.2778 -21.1346 29.2778 37.3533 GPRESSAVG: 347200 18.8585 -31.4992 -19.1476 -29.7657 -41.2769 31.1513 -22.967 27.9133 36.5905 TIMING: 347200 CPU: 1039.98, 0.00297163/step Wall: 1039.98, 0.00297163/step, 3.84067 hours remaining, 205.054688 MB of memory in use. ENERGY: 347200 737.3519 2081.8673 1924.0823 110.9872 -206052.2232 17441.1399 0.0000 0.0000 34438.9715 -149317.8231 300.7641 -183756.7946 -149218.0917 298.9208 -126.4538 -90.5105 557092.6781 4.5542 4.7240 PRESSURE: 347400 538.121 -2.26852 0.521422 -2.26979 193.739 -68.0699 0.521411 -68.0701 213.955 GPRESSURE: 347400 591.761 45.7859 138.574 -60.9294 185.585 -86.4808 -100.639 -93.037 249.933 PRESSAVG: 347400 -21.8315 23.8408 -15.9491 23.8409 44.6215 -34.7791 -15.9491 -34.779 2.23842 GPRESSAVG: 347400 -22.684 24.6394 -17.0228 21.6623 44.8536 -36.5333 -16.7387 -34.216 2.73877 TIMING: 347400 CPU: 1040.58, 0.00298877/step Wall: 1040.58, 0.00298877/step, 3.86266 hours remaining, 205.054688 MB of memory in use. ENERGY: 347400 722.4066 2039.1996 1934.4026 115.8190 -206851.3014 18177.3027 0.0000 0.0000 34269.0163 -149593.1546 299.2798 -183862.1709 -149493.3600 299.1135 315.2717 342.4262 555025.2496 8.3428 8.3028 PRESSURE: 347600 -420.775 78.1113 -28.7107 78.1125 -97.4549 127.211 -28.7094 127.212 -47.8563 GPRESSURE: 347600 -367.778 124.022 -26.2201 64.4249 -107.288 47.6203 -24.4601 152.58 -1.26321 PRESSAVG: 347600 14.3441 47.0824 30.1464 47.0825 -24.2955 13.8588 30.1463 13.8588 32.911 GPRESSAVG: 347600 15.0857 47.7249 28.8658 47.2368 -25.1309 14.7252 33.1397 13.8824 33.3629 TIMING: 347600 CPU: 1041.18, 0.00301774/step Wall: 1041.18, 0.00301774/step, 3.89992 hours remaining, 205.054688 MB of memory in use. ENERGY: 347600 753.2252 2074.1696 1900.6182 118.6388 -205908.9736 17498.9793 0.0000 0.0000 34148.5209 -149414.8216 298.2275 -183563.3425 -149324.7200 298.5858 -188.6956 -158.7762 556542.8584 7.6532 7.7726 PRESSURE: 347800 74.8961 23.6473 -249.806 23.6488 89.6129 74.017 -249.807 74.0172 -149.963 GPRESSURE: 347800 99.5761 -84.3754 -233.79 106.864 81.4536 0.0152164 -301.205 84.3288 -82.5637 PRESSAVG: 347800 -18.5548 65.4104 -11.6102 65.4104 4.3173 -5.23438 -11.6102 -5.23439 7.94536 GPRESSAVG: 347800 -17.687 63.962 -9.89506 67.6194 3.8476 -6.39453 -13.5984 -4.9878 7.38043 TIMING: 347800 CPU: 1041.78, 0.00302434/step Wall: 1041.78, 0.00302434/step, 3.90829 hours remaining, 205.054688 MB of memory in use. ENERGY: 347800 754.8653 2090.5330 1917.8241 109.8848 -206490.8675 17865.8080 0.0000 0.0000 34323.9762 -149427.9761 299.7598 -183751.9523 -149334.7949 299.1014 4.8487 32.8220 556361.1467 -2.0974 -2.1530 PRESSURE: 348000 129.999 121.593 167.608 121.593 62.7124 125.42 167.607 125.42 0.353937 GPRESSURE: 348000 134.84 134.846 188.702 104.169 127.153 125.028 152.585 93.2336 22.8785 PRESSAVG: 348000 9.46498 -29.9335 -25.0267 -29.9335 54.2953 21.3608 -25.0267 21.3608 -44.8789 GPRESSAVG: 348000 9.20466 -27.6463 -25.522 -31.484 54.0488 20.1593 -23.9901 20.4833 -44.1493 TIMING: 348000 CPU: 1042.39, 0.0030255/step Wall: 1042.39, 0.0030255/step, 3.90962 hours remaining, 205.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 348000 743.9781 2040.6438 1939.9720 102.0432 -206683.6046 17993.3476 0.0000 0.0000 34498.4404 -149365.1796 301.2835 -183863.6200 -149270.8108 298.8150 64.3551 94.9574 556238.3695 6.2938 6.3681 PRESSURE: 348200 81.3405 -86.6865 42.6092 -86.688 -143.487 -223.104 42.6079 -223.105 7.79147 GPRESSURE: 348200 57.5913 -33.1801 -27.9343 -87.6977 -31.9801 -268.211 97.0586 -182.904 10.2744 PRESSAVG: 348200 69.0417 -4.72122 -1.4793 -4.72121 -66.9134 1.23775 -1.47926 1.23785 -6.4993 GPRESSAVG: 348200 68.9877 -5.70201 -0.790861 -4.69136 -65.3515 1.83344 -1.13474 1.04576 -8.8213 TIMING: 348200 CPU: 1043, 0.00304505/step Wall: 1043, 0.00304505/step, 3.93472 hours remaining, 205.054688 MB of memory in use. ENERGY: 348200 726.9853 2050.8570 1934.8654 105.7244 -206016.9548 17678.6242 0.0000 0.0000 34086.4866 -149433.4119 297.6858 -183519.8986 -149350.3395 299.1590 -18.1185 11.9619 558446.7924 -1.4570 -1.7284 LDB: ============= START OF LOAD BALANCING ============== 1046.52 LDB: ============== END OF LOAD BALANCING =============== 1046.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1046.52 LDB: ============= START OF LOAD BALANCING ============== 1046.82 LDB: Largest compute 4773 load 0.031040 is 26.3% of average load 0.117870 LDB: Average compute 0.001729 is 1.5% of average load 0.117870 LDB: TIME 1046.82 LOAD: AVG 0.11787 MAX 0.21249 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.137 MB LDB: TIME 1046.82 LOAD: AVG 0.11787 MAX 0.21249 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.359 MB LDB: TIME 1046.82 LOAD: AVG 0.11787 MAX 0.21249 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.359 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1046.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1046.83 PRESSURE: 348400 -9.55515 -31.3476 33.544 -31.3476 7.16422 -73.7992 33.5446 -73.7981 -91.6148 GPRESSURE: 348400 18.9506 -18.4952 20.9415 -12.89 80.5967 -65.1269 143.955 -91.8367 -96.1097 PRESSAVG: 348400 9.5911 -33.526 1.52423 -33.5259 -4.01758 -16.3519 1.52424 -16.3519 -30.2742 GPRESSAVG: 348400 9.3432 -33.7371 0.869432 -32.2672 -5.65483 -15.8273 2.15401 -15.1938 -29.1304 TIMING: 348400 CPU: 1043.61, 0.00307165/step Wall: 1043.61, 0.00307165/step, 3.96891 hours remaining, 207.316406 MB of memory in use. ENERGY: 348400 749.8163 2101.9086 1955.7405 107.2711 -206201.4913 17856.4407 0.0000 0.0000 34057.8884 -149372.4257 297.4360 -183430.3141 -149279.2790 298.9872 -31.3353 1.1459 557308.8571 -8.2335 -8.4807 PRESSURE: 348600 -6.14064 21.1993 -14.0077 21.1981 194.416 64.8678 -14.0075 64.8657 123.555 GPRESSURE: 348600 32.6414 -1.19927 46.6644 15.9197 253.678 48.7817 -51.1517 21.4834 124.742 PRESSAVG: 348600 51.7706 -13.4791 38.5464 -13.4792 -53.4348 39.6049 38.5465 39.6048 -12.7355 GPRESSAVG: 348600 51.288 -14.042 38.1728 -14.6136 -53.2857 41.2514 35.7782 38.8845 -12.0425 TIMING: 348600 CPU: 1044.22, 0.00303336/step Wall: 1044.22, 0.00303336/step, 3.91926 hours remaining, 207.460938 MB of memory in use. ENERGY: 348600 705.3411 2073.2254 1924.5493 113.5727 -206538.4230 18107.6881 0.0000 0.0000 34309.8894 -149304.1570 299.6368 -183614.0464 -149208.8757 298.5720 103.9435 137.0205 557393.5716 -4.7999 -4.6801 PRESSURE: 348800 92.6451 10.8198 -127.537 10.8209 -31.0341 5.70005 -127.538 5.69996 22.6624 GPRESSURE: 348800 148.508 -39.3955 -111.976 19.6585 13.1807 27.3318 -171.683 -72.9931 20.94 PRESSAVG: 348800 -41.7692 9.31397 -64.5995 9.31383 38.4694 15.5199 -64.5997 15.5197 8.53067 GPRESSAVG: 348800 -42.4487 8.58039 -65.7342 9.41279 40.1249 14.4835 -63.2467 16.7114 7.29155 TIMING: 348800 CPU: 1044.82, 0.00298312/step Wall: 1044.82, 0.00298312/step, 3.8542 hours remaining, 207.460938 MB of memory in use. ENERGY: 348800 708.6262 2033.7685 1973.3780 115.2205 -206268.7434 17815.3216 0.0000 0.0000 34401.0042 -149221.4243 300.4325 -183622.4286 -149126.6225 299.0039 28.0911 60.8764 557146.1289 1.7436 1.6559 PRESSURE: 349000 113.262 88.6254 -27.8015 88.625 19.8194 -109.875 -27.8033 -109.876 -150.712 GPRESSURE: 349000 89.0349 22.524 0.154441 30.1587 81.7522 -93.2452 -50.6726 -126.899 -91.0796 PRESSAVG: 349000 39.9229 -30.979 -7.13816 -30.9789 17.968 29.888 -7.13823 29.8879 -34.2817 GPRESSAVG: 349000 40.4187 -30.0395 -5.21676 -31.2085 17.2705 30.8246 -7.54833 28.9312 -34.7028 TIMING: 349000 CPU: 1045.41, 0.00298154/step Wall: 1045.41, 0.00298154/step, 3.85198 hours remaining, 207.460938 MB of memory in use. ENERGY: 349000 688.8776 2116.1965 1929.9274 111.2814 -206203.0263 17828.7324 0.0000 0.0000 34331.6734 -149196.3375 299.8270 -183528.0109 -149094.5819 299.8889 -5.8767 26.5692 557927.6633 7.8697 7.6621 PRESSURE: 349200 67.4014 -66.3785 61.7668 -66.377 -91.0797 -1.47595 61.7665 -1.4757 -14.5725 GPRESSURE: 349200 125.933 -6.12848 -8.41493 -49.5743 -101.799 43.3623 49.2601 44.0626 28.1771 PRESSAVG: 349200 -51.9042 8.59483 -44.3948 8.59497 -15.7025 6.72332 -44.3948 6.72336 58.6074 GPRESSAVG: 349200 -50.8646 9.42942 -43.1615 10.8966 -16.0656 4.94729 -44.1788 6.04237 57.7024 TIMING: 349200 CPU: 1046.01, 0.00298939/step Wall: 1046.01, 0.00298939/step, 3.86196 hours remaining, 207.460938 MB of memory in use. ENERGY: 349200 730.6304 2163.6924 1943.2319 111.8245 -206182.6949 17695.4892 0.0000 0.0000 34322.9913 -149214.8352 299.7512 -183537.8266 -149121.1465 299.2015 -12.7502 17.4371 556635.4128 -2.9998 -3.0759 PRESSURE: 349400 -177.115 90.0703 1.83623 90.0702 -190.552 5.27902 1.83741 5.27977 -24.8251 GPRESSURE: 349400 -108.95 103.77 15.1041 70.7504 -159.848 -105.286 -108.748 57.8806 -20.9423 PRESSAVG: 349400 25.4276 21.6369 28.6693 21.6371 -56.0325 20.6043 28.6693 20.6044 25.5293 GPRESSAVG: 349400 25.0394 20.183 27.1805 20.5625 -54.4609 19.4039 29.0703 21.7729 24.7695 TIMING: 349400 CPU: 1046.61, 0.00301932/step Wall: 1046.61, 0.00301932/step, 3.90045 hours remaining, 207.460938 MB of memory in use. ENERGY: 349400 722.1198 2146.5184 1931.4242 107.1642 -205847.7281 17593.5926 0.0000 0.0000 34153.4989 -149193.4100 298.2710 -183346.9089 -149095.4529 299.3888 -130.8309 -96.5802 559047.4493 -1.6918 -1.5507 PRESSURE: 349600 198.657 72.0327 58.9388 72.0332 60.5778 -14.0299 58.9387 -14.0289 423.904 GPRESSURE: 349600 269.338 77.6991 80.7812 56.9814 102.297 66.9731 7.20345 -45.4933 413.849 PRESSAVG: 349600 44.0906 -2.21607 -11.0201 -2.21607 -52.6975 -17.8701 -11.0202 -17.87 -6.118 GPRESSAVG: 349600 43.9674 -1.79999 -11.3326 -3.01188 -52.872 -18.7001 -10.675 -16.5989 -5.49305 TIMING: 349600 CPU: 1047.22, 0.00304878/step Wall: 1047.22, 0.00304878/step, 3.93835 hours remaining, 207.460938 MB of memory in use. ENERGY: 349600 731.6006 2061.5319 1942.4431 113.4782 -206518.0156 18051.2040 0.0000 0.0000 34298.5468 -149319.2110 299.5377 -183617.7578 -149216.4565 299.0732 227.7129 261.8279 557284.4982 -4.9083 -4.7992 PRESSURE: 349800 -202.254 124.93 -64.7451 124.93 -180.88 -87.4692 -64.7463 -87.4684 -65.7179 GPRESSURE: 349800 -109.54 154.077 -50.4738 125.268 -168.524 -67.301 -63.5008 -65.2876 -68.524 PRESSAVG: 349800 44.6755 47.4792 38.526 47.4792 -35.4053 -18.9708 38.5261 -18.9706 -4.35226 GPRESSAVG: 349800 45.364 46.4844 38.0287 47.4643 -36.4116 -17.4225 36.8204 -21.59 -3.60105 TIMING: 349800 CPU: 1047.83, 0.00304286/step Wall: 1047.83, 0.00304286/step, 3.93054 hours remaining, 207.460938 MB of memory in use. ENERGY: 349800 779.9318 2110.7075 1943.6360 130.9010 -205592.9084 17366.4812 0.0000 0.0000 34008.3720 -149252.8789 297.0036 -183261.2509 -149152.5447 298.2583 -149.6172 -115.5295 559074.0060 1.6393 1.7838 PRESSURE: 350000 -44.3133 -135.299 161.391 -135.298 -159.322 91.4834 161.391 91.4827 230.083 GPRESSURE: 350000 -17.2168 -94.7094 290.888 -160.778 -165.308 21.1083 20.3714 120.55 295.45 PRESSAVG: 350000 44.2796 35.9393 -19.7171 35.9393 -40.8095 29.8637 -19.7171 29.8637 25.3117 GPRESSAVG: 350000 44.1327 36.4081 -18.8498 36.5774 -41.1227 30.3263 -18.9574 33.1041 25.5004 TIMING: 350000 CPU: 1048.43, 0.00300296/step Wall: 1048.43, 0.00300296/step, 3.87882 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: 350000 760.3021 2074.9237 1964.8751 117.7920 -206148.6677 17776.5721 0.0000 0.0000 34120.4694 -149333.7333 297.9825 -183454.2027 -149239.2031 298.9770 8.8159 37.6419 556704.8202 9.5939 9.5035 PRESSURE: 350200 -182.927 16.6817 65.1 16.6809 44.6155 73.0105 65.1001 73.0082 78.1301 GPRESSURE: 350200 -135.248 -21.7007 199.233 -25.6213 86.5194 158.972 -69.5383 50.7905 86.634 PRESSAVG: 350200 -49.5792 33.8239 -19.4559 33.824 -8.7811 7.62874 -19.4559 7.62891 24.7431 GPRESSAVG: 350200 -49.5509 34.0497 -19.1547 33.4999 -8.07981 9.3004 -19.1282 4.45721 24.6201 TIMING: 350200 CPU: 1049.03, 0.00298338/step Wall: 1049.03, 0.00298338/step, 3.85337 hours remaining, 207.460938 MB of memory in use. ENERGY: 350200 783.5839 2058.3186 1959.0239 111.6095 -206123.4791 17772.2057 0.0000 0.0000 34194.0473 -149244.6902 298.6251 -183438.7375 -149146.0788 298.8230 -20.0603 12.6352 556035.0122 -11.2057 -11.0035 PRESSURE: 350400 -185.855 -114.949 63.6669 -114.95 -253.266 172.094 63.6661 172.094 -190.808 GPRESSURE: 350400 -183.925 -137.547 68.2281 -69.9909 -199.515 165.367 109.794 155.724 -149.302 PRESSAVG: 350400 -4.29633 -13.1604 16.5967 -13.1604 39.2765 -10.3032 16.5967 -10.3031 -25.94 GPRESSAVG: 350400 -4.30292 -13.2311 16.0856 -11.8885 38.7816 -12.2795 15.9574 -9.03533 -25.7208 TIMING: 350400 CPU: 1049.63, 0.0029921/step Wall: 1049.63, 0.0029921/step, 3.86447 hours remaining, 207.460938 MB of memory in use. ENERGY: 350400 759.7177 2114.9877 1949.6693 125.7935 -205546.7097 17177.9344 0.0000 0.0000 34223.2134 -149195.3936 298.8798 -183418.6070 -149094.9941 299.0230 -209.9765 -177.5809 555745.7047 3.0134 2.9193 PRESSURE: 350600 23.6871 59.1491 119.273 59.1489 -105.507 201.818 119.273 201.818 -379.564 GPRESSURE: 350600 24.8951 -20.9879 123.668 163.522 -35.0801 234.043 128.97 106.931 -356.672 PRESSAVG: 350600 39.5559 23.5709 13.1261 23.5709 6.92124 -1.23474 13.1261 -1.23473 -38.3828 GPRESSAVG: 350600 38.7061 23.7049 13.5276 22.8252 7.77016 -0.42851 13.3748 -1.98391 -38.6354 TIMING: 350600 CPU: 1050.22, 0.00298038/step Wall: 1050.22, 0.00298038/step, 3.84916 hours remaining, 207.460938 MB of memory in use. ENERGY: 350600 737.1114 2104.0500 1957.0213 117.9386 -205863.7958 17386.3610 0.0000 0.0000 34213.7870 -149347.5265 298.7975 -183561.3135 -149252.4163 298.2255 -153.7945 -122.2856 556214.3824 2.6981 2.6136 PRESSURE: 350800 -36.141 45.7025 101.065 45.7029 -140.088 -1.74735 101.063 -1.74757 70.652 GPRESSURE: 350800 46.543 23.5548 32.154 97.1613 -162.611 -28.7329 104.388 21.2386 109.116 PRESSAVG: 350800 -4.2323 -40.299 18.3651 -40.299 8.65684 -5.44115 18.3651 -5.44118 -10.4231 GPRESSAVG: 350800 -2.63149 -40.8932 16.1989 -39.7653 7.79252 -6.43292 18.1683 -5.47544 -10.947 TIMING: 350800 CPU: 1050.82, 0.00297345/step Wall: 1050.82, 0.00297345/step, 3.84004 hours remaining, 207.460938 MB of memory in use. ENERGY: 350800 745.2644 2060.6852 1959.0082 105.7928 -206039.9696 17746.3628 0.0000 0.0000 34173.0897 -149249.7666 298.4421 -183422.8563 -149159.8149 299.2137 -35.1924 -2.3175 557600.5676 -1.9995 -1.9287 PRESSURE: 351000 -218.661 -110.19 89.6424 -110.19 -205.151 57.5711 89.6432 57.5698 -206.226 GPRESSURE: 351000 -165.353 -60.6307 86.5561 -123.959 -123.813 41.2357 118.081 35.1021 -239.377 PRESSAVG: 351000 -8.7898 0.278314 29.4413 0.278393 14.4335 27.3353 29.4414 27.3352 -16.2135 GPRESSAVG: 351000 -10.2546 2.44873 31.4037 -2.0305 14.2529 28.9575 28.9187 26.5923 -14.6649 TIMING: 351000 CPU: 1051.41, 0.00297723/step Wall: 1051.41, 0.00297723/step, 3.84477 hours remaining, 207.460938 MB of memory in use. ENERGY: 351000 756.1153 2095.2099 1949.8965 116.7623 -205764.9695 17379.0529 0.0000 0.0000 34228.3579 -149239.5747 298.9248 -183467.9326 -149143.6611 298.9766 -210.0126 -176.1806 558345.3241 -3.5233 -3.5555 PRESSURE: 351200 169.133 -25.0425 -51.8228 -25.0433 9.17871 -50.0749 -51.8227 -50.0722 131.01 GPRESSURE: 351200 229.727 64.6245 -38.047 -104.519 47.6057 28.5586 -56.2745 -41.2551 138.049 PRESSAVG: 351200 -10.7332 -16.9819 11.6223 -16.982 -5.71009 5.49698 11.6222 5.49708 66.9503 GPRESSAVG: 351200 -10.3153 -17.1138 12.7984 -16.1615 -5.22625 3.62556 10.4574 6.32966 66.2553 TIMING: 351200 CPU: 1052.01, 0.00299154/step Wall: 1052.01, 0.00299154/step, 3.86307 hours remaining, 207.460938 MB of memory in use. ENERGY: 351200 728.4069 1983.6288 1946.6043 102.1868 -206197.2151 18165.6642 0.0000 0.0000 34146.4395 -149124.2847 298.2093 -183270.7241 -149027.4556 299.3806 103.1070 138.4606 557712.9027 16.8357 16.9046 PRESSURE: 351400 -87.9194 74.9195 114.746 74.9211 -139.027 83.0388 114.745 83.0365 -200.092 GPRESSURE: 351400 4.69796 11.6824 38.9722 36.7448 -119.091 145.767 141.228 26.6527 -206.945 PRESSAVG: 351400 -9.9004 -12.0499 -20.5862 -12.0499 62.2644 28.3045 -20.5862 28.3046 18.4075 GPRESSAVG: 351400 -8.69848 -12.9483 -22.4917 -11.5036 61.8005 29.838 -19.7572 27.0161 17.9478 TIMING: 351400 CPU: 1052.61, 0.00298186/step Wall: 1052.61, 0.00298186/step, 3.85041 hours remaining, 207.460938 MB of memory in use. ENERGY: 351400 750.8891 2052.6470 1944.6594 97.1276 -205913.9684 17598.1833 0.0000 0.0000 34359.7800 -149110.6819 300.0725 -183470.4620 -149007.7521 299.3409 -142.3461 -107.1130 558460.7789 23.5905 23.6833 PRESSURE: 351600 110.939 -125.487 -31.1835 -125.487 205.607 89.8091 -31.1835 89.8093 305.201 GPRESSURE: 351600 132.702 -112.762 13.1508 -53.5718 227.109 101.028 11.1162 207.827 359.725 PRESSAVG: 351600 30.3168 5.56617 -15.8328 5.56612 11.5719 -4.19087 -15.8329 -4.19095 -74.7434 GPRESSAVG: 351600 29.0865 7.39449 -15.4575 4.29564 11.2699 -5.30201 -13.3953 -2.59959 -73.4398 TIMING: 351600 CPU: 1053.21, 0.00299445/step Wall: 1053.21, 0.00299445/step, 3.86649 hours remaining, 207.460938 MB of memory in use. ENERGY: 351600 705.8647 2004.4656 1943.7474 110.3804 -206290.3031 18044.8454 0.0000 0.0000 34156.9034 -149324.0963 298.3007 -183480.9996 -149227.6915 298.3804 207.2489 239.8452 556564.3701 -10.9516 -11.0278 PRESSURE: 351800 -48.2628 63.4058 57.6748 63.4069 -23.5177 106.146 57.6745 106.145 118.363 GPRESSURE: 351800 9.83992 -4.68587 4.02255 150.892 20.4787 196.077 111.315 -13.2566 103.842 PRESSAVG: 351800 34.4843 39.0913 31.8762 39.0913 1.02083 -18.462 31.8762 -18.4619 -16.5675 GPRESSAVG: 351800 33.7355 37.7713 31.2125 40.2929 1.50878 -17.009 29.307 -18.3951 -16.6069 TIMING: 351800 CPU: 1053.8, 0.00298217/step Wall: 1053.8, 0.00298217/step, 3.85048 hours remaining, 207.460938 MB of memory in use. ENERGY: 351800 759.8234 2017.7539 1948.5358 106.2419 -206305.0751 17918.1344 0.0000 0.0000 34202.3796 -149352.2061 298.6979 -183554.5857 -149258.4575 299.2205 15.5274 44.7201 557907.9100 6.3125 6.2125 PRESSURE: 352000 141.197 61.4664 -21.2662 61.4668 28.3858 -76.5294 -21.266 -76.5298 -176.692 GPRESSURE: 352000 148.946 132.196 -92.3108 -30.6752 77.0423 -2.70258 28.7725 -98.7053 -135.065 PRESSAVG: 352000 -34.6141 56.971 -30.5416 56.971 18.4159 3.69367 -30.5416 3.69371 5.45558 GPRESSAVG: 352000 -34.2041 56.702 -29.7503 58.5729 17.7165 2.66833 -31.9007 5.3663 5.85574 TIMING: 352000 CPU: 1054.4, 0.00295914/step Wall: 1054.4, 0.00295914/step, 3.82058 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: 352000 748.7640 2057.7245 1971.1461 109.1522 -206511.0982 17858.8586 0.0000 0.0000 34181.9087 -149583.5441 298.5191 -183765.4528 -149494.2190 298.3975 -2.3697 30.3079 557105.1643 -3.5809 -3.5440 PRESSURE: 352200 -235.745 -137.163 225.005 -137.163 -65.4574 59.6245 225.006 59.6234 17.0351 GPRESSURE: 352200 -196.63 -122.235 190.252 -138.619 -50.0846 8.74956 183.635 64.7679 45.6758 PRESSAVG: 352200 -28.4561 -40.9398 28.9002 -40.9399 45.2952 -28.6044 28.9002 -28.6045 -29.0708 GPRESSAVG: 352200 -27.4928 -41.5156 28.4047 -42.3453 45.4872 -28.3717 30.8327 -29.7091 -30.2626 TIMING: 352200 CPU: 1054.99, 0.00297294/step Wall: 1054.99, 0.00297294/step, 3.83823 hours remaining, 207.460938 MB of memory in use. ENERGY: 352200 760.1802 2090.0792 1998.2650 106.6837 -206274.4923 17619.7728 0.0000 0.0000 34143.9686 -149555.5429 298.1878 -183699.5115 -149461.7869 298.4920 -94.7223 -67.0129 557267.5959 -4.0772 -4.0894 LDB: ============= START OF LOAD BALANCING ============== 1058.51 LDB: ============== END OF LOAD BALANCING =============== 1058.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1058.51 LDB: ============= START OF LOAD BALANCING ============== 1058.8 LDB: Largest compute 4773 load 0.030860 is 26.2% of average load 0.117922 LDB: Average compute 0.001727 is 1.5% of average load 0.117922 LDB: TIME 1058.81 LOAD: AVG 0.117922 MAX 0.209366 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.992 MB LDB: TIME 1058.81 LOAD: AVG 0.117922 MAX 0.209366 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.195 MB LDB: TIME 1058.81 LOAD: AVG 0.117922 MAX 0.209366 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.195 MB LDB: ============== END OF LOAD BALANCING =============== 1058.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1058.81 PRESSURE: 352400 282.77 -45.9607 -21.0334 -45.9596 -142.042 16.3943 -21.0329 16.3946 105.667 GPRESSURE: 352400 260.064 45.3551 -18.4722 -46.6962 -49.5985 1.43957 -50.4093 -19.471 137.337 PRESSAVG: 352400 -5.64304 -29.4545 21.1146 -29.4545 -6.23561 -31.039 21.1146 -31.039 31.9374 GPRESSAVG: 352400 -6.95472 -29.5215 20.9607 -29.9691 -6.35051 -31.1913 21.55 -31.3892 33.333 TIMING: 352400 CPU: 1055.6, 0.00303055/step Wall: 1055.6, 0.00303055/step, 3.91245 hours remaining, 204.222656 MB of memory in use. ENERGY: 352400 744.4056 2049.4258 1936.7474 115.9616 -206298.6627 17814.4132 0.0000 0.0000 34154.7289 -149482.9802 298.2817 -183637.7091 -149377.0332 298.4754 82.1319 115.9343 557395.1199 6.6863 6.6759 PRESSURE: 352600 -75.2185 87.6818 43.894 87.6811 -123.392 -124.965 43.8929 -124.966 10.8008 GPRESSURE: 352600 40.2136 -23.81 -4.42713 153.46 -132.166 -150.613 21.6142 -86.5305 12.8757 PRESSAVG: 352600 -34.9195 6.7653 -14.1785 6.76535 -6.80683 -17.2756 -14.1785 -17.2757 63.8986 GPRESSAVG: 352600 -32.3475 5.35167 -12.1961 9.75179 -7.4394 -18.4678 -15.4226 -13.5536 62.465 TIMING: 352600 CPU: 1056.19, 0.00298119/step Wall: 1056.19, 0.00298119/step, 3.84855 hours remaining, 204.222656 MB of memory in use. ENERGY: 352600 758.9231 2049.0397 1948.2486 110.0348 -206059.7658 17590.4487 0.0000 0.0000 34052.9296 -149550.1414 297.3927 -183603.0710 -149459.9542 298.1852 -62.6031 -26.3588 556059.1053 7.3907 7.5594 PRESSURE: 352800 53.8075 89.7043 29.2039 89.7035 -130.425 -74.1336 29.2029 -74.1346 8.63399 GPRESSURE: 352800 62.9921 100.19 -25.5612 53.9323 -63.9533 -45.9008 185.669 -101.144 33.3311 PRESSAVG: 352800 -15.0818 43.4108 -12.3429 43.4107 20.0947 -30.7015 -12.3429 -30.7016 3.33569 GPRESSAVG: 352800 -16.4164 45.5719 -10.7099 41.0043 20.9787 -28.832 -13.383 -34.0541 3.77079 TIMING: 352800 CPU: 1056.79, 0.00297338/step Wall: 1056.79, 0.00297338/step, 3.8383 hours remaining, 204.515625 MB of memory in use. ENERGY: 352800 727.9168 2089.7724 1956.3455 116.5819 -206456.7163 17765.3408 0.0000 0.0000 34206.8489 -149593.9100 298.7369 -183800.7589 -149499.3970 298.3010 -22.6611 10.7900 556565.7860 2.7829 2.7777 PRESSURE: 353000 -24.3579 -21.0452 -106.603 -21.0443 153.912 -75.5906 -106.603 -75.5895 -250.398 GPRESSURE: 353000 19.2393 24.0189 -99.4689 -83.2467 160.008 -85.974 -163.284 -16.5436 -198.751 PRESSAVG: 353000 -31.0786 56.1068 1.52881 56.1069 65.6029 11.0201 1.52868 11.02 16.1 GPRESSAVG: 353000 -30.0608 57.0406 -1.16232 58.2719 65.941 11.6292 3.49568 8.58439 14.8755 TIMING: 353000 CPU: 1057.38, 0.00298067/step Wall: 1057.38, 0.00298067/step, 3.84755 hours remaining, 204.515625 MB of memory in use. ENERGY: 353000 680.4092 2080.1269 1966.9451 109.4897 -206295.4218 17643.4754 0.0000 0.0000 34012.0152 -149802.9601 297.0354 -183814.9753 -149715.3362 298.0808 -40.2816 -6.5013 556464.4658 16.8748 16.9186 PRESSURE: 353200 -352.426 -128.172 -167.482 -128.173 -155.043 221.835 -167.483 221.836 -354.526 GPRESSURE: 353200 -347.337 -85.2897 -219.32 -106.205 -71.3092 180.516 -162.713 105.527 -346.941 PRESSAVG: 353200 -23.204 26.586 -14.1134 26.5859 23.3599 20.709 -14.1134 20.7089 0.300442 GPRESSAVG: 353200 -24.4392 24.04 -13.4443 23.7165 24.7944 19.5715 -13.6954 21.7452 0.395778 TIMING: 353200 CPU: 1057.98, 0.00298996/step Wall: 1057.98, 0.00298996/step, 3.85937 hours remaining, 204.515625 MB of memory in use. ENERGY: 353200 706.8400 2048.7856 1942.7904 99.1252 -206089.1201 17513.9530 0.0000 0.0000 34147.2667 -149630.3592 298.2166 -183777.6260 -149535.4237 297.9574 -287.3317 -255.1957 558829.8335 0.1521 0.2503 PRESSURE: 353400 -36.8026 277.752 -91.281 277.751 -68.9474 -61.9297 -91.2815 -61.9305 -105.998 GPRESSURE: 353400 1.30805 211.16 -142.186 268.468 -13.8619 -50.1701 -110.835 -129.818 -110.511 PRESSAVG: 353400 -21.2752 81.3348 20.6918 81.3348 29.0846 -27.0199 20.6919 -27.0198 7.72119 GPRESSAVG: 353400 -20.4161 81.4898 19.5887 83.3486 28.8533 -27.2373 20.077 -25.1385 7.25926 TIMING: 353400 CPU: 1058.58, 0.00297518/step Wall: 1058.58, 0.00297518/step, 3.84012 hours remaining, 204.515625 MB of memory in use. ENERGY: 353400 722.2276 2025.1948 1977.5016 118.5873 -206226.2173 17728.2516 0.0000 0.0000 34031.2244 -149623.2300 297.2031 -183654.4544 -149522.1117 298.4833 -70.5828 -41.0218 557245.0138 5.1769 5.2321 PRESSURE: 353600 122.052 -163.325 -260.642 -163.326 127.545 60.3616 -260.642 60.3609 126.159 GPRESSURE: 353600 227.37 -131.084 -247.308 -134.052 105.549 -11.3856 -327.816 124.913 134.662 PRESSAVG: 353600 -16.0462 -21.0046 -7.48168 -21.0045 77.9958 -61.2887 -7.4817 -61.2887 -9.43089 GPRESSAVG: 353600 -15.3865 -19.9718 -7.08906 -20.971 76.4791 -60.4886 -8.43682 -60.3511 -8.27323 TIMING: 353600 CPU: 1059.17, 0.0029797/step Wall: 1059.17, 0.0029797/step, 3.8458 hours remaining, 204.515625 MB of memory in use. ENERGY: 353600 750.5754 2053.1528 1947.8519 105.3353 -206827.8483 18185.0269 0.0000 0.0000 34262.0375 -149523.8686 299.2189 -183785.9061 -149429.8055 298.2039 125.2523 155.8602 557516.4941 17.5062 17.6065 PRESSURE: 353800 -253.948 -61.0246 240.182 -61.0249 -68.8667 -54.1219 240.181 -54.1209 13.0224 GPRESSURE: 353800 -211.196 -37.3142 271.682 -45.1175 -25.6702 -99.9 77.5392 -25.6828 8.93129 PRESSAVG: 353800 -5.8845 -9.55426 -3.61447 -9.55432 22.8568 -23.7769 -3.61444 -23.7769 21.7584 GPRESSAVG: 353800 -5.29248 -9.49268 -3.21024 -9.69487 23.2006 -22.9452 -5.38487 -24.2446 20.3415 TIMING: 353800 CPU: 1059.77, 0.00296531/step Wall: 1059.77, 0.00296531/step, 3.82706 hours remaining, 204.515625 MB of memory in use. ENERGY: 353800 759.1208 2042.4589 1952.3291 110.9032 -206347.6481 17667.6401 0.0000 0.0000 34152.2475 -149662.9485 298.2601 -183815.1960 -149570.1473 297.6174 -103.2642 -75.9782 557877.5557 12.9102 12.7499 PRESSURE: 354000 33.763 49.8776 59.6733 49.8783 425.489 -59.1485 59.6719 -59.1479 66.2148 GPRESSURE: 354000 132.338 33.1784 139.951 -9.35164 399.364 -28.1996 14.0066 -47.1823 93.6064 PRESSAVG: 354000 -24.9646 -18.5925 -17.0298 -18.5926 14.9317 17.3253 -17.0299 17.3253 -25.8843 GPRESSAVG: 354000 -25.838 -17.4842 -18.6569 -19.6766 15.0144 15.4448 -14.8718 18.3845 -25.0871 TIMING: 354000 CPU: 1060.36, 0.002973/step Wall: 1060.36, 0.002973/step, 3.83682 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: 354000 711.6303 2057.9933 1965.1306 116.3201 -206616.9311 18025.6012 0.0000 0.0000 33964.4217 -149775.8339 296.6197 -183740.2556 -149687.8358 297.3392 175.1556 208.4363 555346.2121 -11.9724 -11.9702 PRESSURE: 354200 -49.9418 -27.7525 -55.6745 -27.7526 -178.758 -10.2191 -55.673 -10.2196 -233.972 GPRESSURE: 354200 -32.7279 -26.8337 -74.2377 -83.8753 -108.53 -18.6645 -22.4407 -11.1597 -224.304 PRESSAVG: 354200 -62.622 17.8675 -19.3925 17.8675 80.5043 -50.2074 -19.3925 -50.2075 7.52857 GPRESSAVG: 354200 -62.5645 17.1347 -18.4084 17.3456 81.2332 -49.6613 -18.5398 -53.0756 7.19733 TIMING: 354200 CPU: 1060.96, 0.00298206/step Wall: 1060.96, 0.00298206/step, 3.84834 hours remaining, 204.515625 MB of memory in use. ENERGY: 354200 726.6903 2052.5494 1930.9627 116.3216 -205801.6532 17382.3210 0.0000 0.0000 34007.4590 -149585.3493 296.9956 -183592.8082 -149491.4534 297.3008 -154.2238 -121.8541 556713.1208 8.4703 8.6220 PRESSURE: 354400 -122.424 -11.7846 84.7414 -11.7855 263.664 147.473 84.7413 147.473 32.6889 GPRESSURE: 354400 -122.595 -61.4491 80.2334 -10.3214 314.682 93.5112 94.8335 162.571 79.2812 PRESSAVG: 354400 -58.5752 -2.04991 -14.5479 -2.04995 40.0615 -53.5218 -14.5479 -53.5219 -17.4157 GPRESSAVG: 354400 -58.0255 -1.74726 -13.4072 -1.21089 39.766 -52.1929 -16.7966 -51.6666 -17.8594 TIMING: 354400 CPU: 1061.55, 0.00297626/step Wall: 1061.55, 0.00297626/step, 3.8407 hours remaining, 204.515625 MB of memory in use. ENERGY: 354400 761.7016 2024.7307 1933.1666 102.2645 -206335.3277 17824.1562 0.0000 0.0000 34061.2478 -149628.0603 297.4653 -183689.3081 -149532.6929 298.1227 57.9763 90.4562 556704.9364 -11.9765 -12.0396 PRESSURE: 354600 -189.061 119.111 7.84256 119.112 -216.696 -40.4671 7.84331 -40.467 -173.18 GPRESSURE: 354600 -172.582 143.568 -31.9382 92.1885 -202.378 44.4629 112.271 -71.3767 -103.434 PRESSAVG: 354600 -10.2762 8.91118 -25.6685 8.91121 11.4821 52.5071 -25.6685 52.5072 34.7907 GPRESSAVG: 354600 -10.8451 8.70968 -26.5196 11.2174 11.8407 50.9068 -23.9685 52.2796 35.6023 TIMING: 354600 CPU: 1062.15, 0.00298342/step Wall: 1062.15, 0.00298342/step, 3.84978 hours remaining, 204.515625 MB of memory in use. ENERGY: 354600 749.9347 2099.0188 1908.9281 102.3559 -206428.4003 17672.9751 0.0000 0.0000 34286.4761 -149608.7116 299.4323 -183895.1877 -149514.8137 298.3554 -192.9792 -159.4649 556409.4029 11.9988 12.1993 PRESSURE: 354800 -8.82815 -19.7702 -185.082 -19.7703 119.314 101.035 -185.082 101.036 -23.6739 GPRESSURE: 354800 4.20226 -48.2837 -147.639 -13.062 129.888 94.489 -228.438 -32.0298 42.7243 PRESSAVG: 354800 -0.690156 28.9394 -35.2217 28.9394 -49.0788 62.7041 -35.2217 62.7042 -2.14533 GPRESSAVG: 354800 -0.864107 29.1018 -35.6084 26.8833 -49.8197 61.0734 -35.1959 64.2226 -1.02387 TIMING: 354800 CPU: 1062.75, 0.00299112/step Wall: 1062.75, 0.00299112/step, 3.85954 hours remaining, 204.515625 MB of memory in use. ENERGY: 354800 727.5405 2083.8255 1931.1274 114.5103 -206754.1447 18113.3468 0.0000 0.0000 34143.5888 -149640.2054 298.1845 -183783.7942 -149548.5907 298.2104 28.9372 58.9383 557809.2973 -17.3047 -17.2359 PRESSURE: 355000 39.6219 -87.3581 92.3894 -87.3576 -209.976 226.701 92.3909 226.702 -260.864 GPRESSURE: 355000 35.3998 -84.3071 51.7547 -171.195 -152.963 297.677 146.295 187.676 -233.212 PRESSAVG: 355000 16.3776 -26.4028 -38.6853 -26.4028 -66.3907 14.2949 -38.6853 14.295 47.5618 GPRESSAVG: 355000 15.989 -27.6731 -39.6916 -24.425 -66.7424 18.1751 -37.2691 11.0881 47.6533 TIMING: 355000 CPU: 1063.34, 0.00296905/step Wall: 1063.34, 0.00296905/step, 3.83089 hours remaining, 204.515625 MB of memory in use. ENERGY: 355000 777.6542 2089.5108 1915.9859 110.1918 -206402.8163 17806.4153 0.0000 0.0000 34101.9639 -149601.0945 297.8209 -183703.0583 -149506.3284 298.6658 -143.7396 -116.9252 557538.0384 -0.8171 -1.0333 PRESSURE: 355200 -286.241 -49.5716 -80.0403 -49.5705 -263.138 -112.97 -80.0416 -112.97 -17.4938 GPRESSURE: 355200 -246.185 -178.747 -188.232 -47.3432 -229.645 37.0084 -129.064 -138.958 10.0095 PRESSAVG: 355200 -11.8549 29.6432 19.4885 29.6433 -28.0806 -22.2631 19.4886 -22.2631 22.949 GPRESSAVG: 355200 -11.651 30.8542 20.9932 28.3264 -28.2752 -23.6699 17.0784 -20.6826 23.452 TIMING: 355200 CPU: 1063.94, 0.00298047/step Wall: 1063.94, 0.00298047/step, 3.84547 hours remaining, 204.515625 MB of memory in use. ENERGY: 355200 788.6903 2051.5833 1952.8307 105.4113 -206028.3660 17510.5499 0.0000 0.0000 34255.2253 -149364.0752 299.1594 -183619.3005 -149267.5708 298.4490 -188.9576 -155.2736 557679.5089 -5.6622 -5.4914 PRESSURE: 355400 -510.822 55.4591 140.602 55.4599 -31.5735 -252.853 140.602 -252.853 32.4702 GPRESSURE: 355400 -396.547 17.1234 103.14 9.39983 -54.0616 -190.913 224.611 -243.401 59.6414 PRESSAVG: 355400 -39.8046 -1.06084 -17.1161 -1.06089 48.2401 -2.44833 -17.116 -2.44845 4.63521 GPRESSAVG: 355400 -38.5876 0.317157 -16.7169 -1.25781 48.5698 -2.47085 -15.4961 -2.47472 3.60015 TIMING: 355400 CPU: 1064.53, 0.00297663/step Wall: 1064.53, 0.00297663/step, 3.84034 hours remaining, 204.515625 MB of memory in use. ENERGY: 355400 729.1543 2051.3318 1970.1560 106.7955 -205930.2898 17506.1836 0.0000 0.0000 34278.8301 -149287.8385 299.3655 -183566.6686 -149184.7645 299.2364 -169.9750 -130.3225 558175.2537 4.3569 4.5274 PRESSURE: 355600 -225.912 174.459 -4.57749 174.459 -21.4609 83.4839 -4.57631 83.4833 -18.2724 GPRESSURE: 355600 -142.079 214.369 26.6721 79.3609 12.5637 73.873 18.4567 136.16 -24.4686 PRESSAVG: 355600 8.64411 2.20269 -27.8567 2.20267 -3.44389 1.8528 -27.8567 1.85285 -21.5079 GPRESSAVG: 355600 8.04492 -0.254681 -30.6583 2.47678 -3.66497 0.810879 -28.1238 2.21031 -21.2504 TIMING: 355600 CPU: 1065.13, 0.00297771/step Wall: 1065.13, 0.00297771/step, 3.84157 hours remaining, 204.515625 MB of memory in use. ENERGY: 355600 726.7945 2172.9439 1955.8992 127.6966 -206409.2197 17825.5719 0.0000 0.0000 34274.6686 -149325.6450 299.3292 -183600.3136 -149232.2923 299.5383 -88.5486 -51.3280 556164.3829 -5.4359 -5.6235 PRESSURE: 355800 151.344 -101.597 114.73 -101.597 33.8954 30.9039 114.73 30.9034 -150.457 GPRESSURE: 355800 203.502 -152.052 134.63 -31.2656 32.1221 117.081 114.763 -41.7838 -127.712 PRESSAVG: 355800 4.46439 -42.6017 19.8905 -42.6016 57.2293 -17.5832 19.8906 -17.5831 -32.5308 GPRESSAVG: 355800 4.58107 -41.4804 24.6268 -43.9057 57.1764 -16.8585 18.0127 -17.4758 -32.3733 TIMING: 355800 CPU: 1065.72, 0.00297157/step Wall: 1065.72, 0.00297157/step, 3.8335 hours remaining, 204.515625 MB of memory in use. ENERGY: 355800 745.0706 2123.9439 1956.5615 119.0070 -206403.9275 17802.2429 0.0000 0.0000 34157.6114 -149499.4903 298.3069 -183657.1017 -149409.7766 299.1248 11.5940 35.9706 555535.8406 9.7210 9.7947 PRESSURE: 356000 347.682 -139.848 106.902 -139.849 48.8047 -27.6643 106.902 -27.6653 -86.6554 GPRESSURE: 356000 375.172 -80.381 145.194 -200.086 28.4765 -33.467 32.4618 44.8187 0.642765 PRESSAVG: 356000 1.20575 -58.4969 34.2026 -58.4969 22.5148 5.75637 34.2026 5.75639 -0.647066 GPRESSAVG: 356000 2.27058 -59.2719 33.9439 -55.6798 22.829 6.10928 35.292 5.90999 -1.68506 TIMING: 356000 CPU: 1066.32, 0.00297993/step Wall: 1066.32, 0.00297993/step, 3.84411 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: 356000 728.8364 2094.2735 1960.2416 116.7872 -206271.8002 17901.3583 0.0000 0.0000 34023.9679 -149446.3353 297.1398 -183470.3032 -149353.5244 298.7296 103.2771 134.7637 556470.9500 7.6912 7.8048 PRESSURE: 356200 -74.8096 46.3992 -86.3264 46.4001 -126.398 -22.3142 -86.3264 -22.3141 161.893 GPRESSURE: 356200 -23.0458 -6.5691 -14.7721 89.2049 -36.7845 -5.24434 -146.288 -20.1714 109.724 PRESSAVG: 356200 -11.257 -19.1899 90.3236 -19.1899 -27.726 16.2351 90.3235 16.2353 24.1386 GPRESSAVG: 356200 -13.2892 -17.1351 89.1159 -22.5817 -26.8278 14.4901 89.5394 15.6536 24.9821 TIMING: 356200 CPU: 1066.91, 0.00298144/step Wall: 1066.91, 0.00298144/step, 3.84589 hours remaining, 204.527344 MB of memory in use. ENERGY: 356200 784.5255 2058.5683 1965.3990 104.5131 -206425.6427 17857.9485 0.0000 0.0000 34411.5337 -149243.1545 300.5245 -183654.6882 -149145.8378 299.1404 -13.1049 16.6311 557125.8288 -4.9481 -5.0450 LDB: ============= START OF LOAD BALANCING ============== 1070.43 LDB: ============== END OF LOAD BALANCING =============== 1070.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1070.43 LDB: ============= START OF LOAD BALANCING ============== 1070.73 LDB: Largest compute 4773 load 0.029087 is 24.7% of average load 0.117903 LDB: Average compute 0.001725 is 1.5% of average load 0.117903 LDB: TIME 1070.73 LOAD: AVG 0.117903 MAX 0.210311 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.684 MB LDB: TIME 1070.73 LOAD: AVG 0.117903 MAX 0.210311 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.684 MB LDB: TIME 1070.73 LOAD: AVG 0.117903 MAX 0.210311 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.684 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1070.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1070.74 PRESSURE: 356400 -141.829 26.8625 5.34325 26.864 -46.0126 -223.488 5.3437 -223.49 -37.5885 GPRESSURE: 356400 -131.963 -37.1497 27.0894 26.8581 101.148 -140.916 -5.20796 -166.922 -99.4441 PRESSAVG: 356400 -3.01857 -31.2541 17.3244 -31.254 28.7368 5.60542 17.3244 5.60543 8.99092 GPRESSAVG: 356400 -2.4154 -33.2923 17.4783 -28.1971 28.2609 8.49435 18.1822 5.46895 8.716 TIMING: 356400 CPU: 1067.52, 0.00303017/step Wall: 1067.52, 0.00303017/step, 3.90859 hours remaining, 204.437500 MB of memory in use. ENERGY: 356400 775.7402 2097.7814 1947.7667 103.3703 -206245.9945 17698.7275 0.0000 0.0000 34389.6381 -149232.9704 300.3333 -183622.6085 -149136.2269 299.6334 -75.1435 -43.4197 558011.2757 11.5697 11.5205 PRESSURE: 356600 47.8344 88.0384 -8.54775 88.0371 -100.017 -10.6721 -8.54825 -10.6733 -266.893 GPRESSURE: 356600 29.1535 55.006 13.4995 77.0235 -85.2511 19.7521 55.8262 49.8297 -174.133 PRESSAVG: 356600 4.012 -15.4713 -14.706 -15.4713 37.4197 0.759583 -14.706 0.759491 -51.1851 GPRESSAVG: 356600 3.82005 -14.4339 -16.019 -15.8202 36.9103 -0.678036 -13.8637 2.6831 -51.0095 TIMING: 356600 CPU: 1068.12, 0.00298575/step Wall: 1068.12, 0.00298575/step, 3.85112 hours remaining, 204.640625 MB of memory in use. ENERGY: 356600 731.2259 2113.3217 1969.6982 126.2570 -206116.6146 17662.7062 0.0000 0.0000 34315.8851 -149197.5204 299.6892 -183513.4055 -149096.6289 300.0710 -106.3585 -76.7437 558705.4196 -3.2511 -3.4264 PRESSURE: 356800 -302.813 -57.4457 -48.9876 -57.4458 20.7774 -72.1166 -48.9879 -72.1174 -69.0499 GPRESSURE: 356800 -249.239 31.0587 -5.18433 -140.081 63.7747 -19.2696 -59.8989 -43.3793 -63.9835 PRESSAVG: 356800 28.076 -46.1292 -16.369 -46.1293 -26.9312 -25.384 -16.369 -25.384 19.7979 GPRESSAVG: 356800 28.9416 -47.8363 -14.7392 -45.9644 -26.6652 -25.6908 -17.0963 -25.4409 19.1805 TIMING: 356800 CPU: 1068.71, 0.00298424/step Wall: 1068.71, 0.00298424/step, 3.84901 hours remaining, 204.640625 MB of memory in use. ENERGY: 356800 749.4216 2054.9019 1940.8829 108.0277 -205904.9548 17610.1748 0.0000 0.0000 34412.9810 -149028.5650 300.5371 -183441.5459 -148928.1585 300.2211 -117.0287 -83.1494 558567.5537 6.9809 7.1523 PRESSURE: 357000 218.061 126.528 -11.6583 126.527 71.5719 17.7137 -11.6581 17.7152 -25.8752 GPRESSURE: 357000 208.878 161.509 -77.9331 95.345 136.504 130.969 -98.062 -19.8661 16.2696 PRESSAVG: 357000 16.0687 -43.3331 16.8996 -43.3331 9.17025 -5.69939 16.8995 -5.69938 18.6935 GPRESSAVG: 357000 15.786 -41.9197 16.9008 -43.6736 10.4715 -4.42515 16.2692 -8.13119 17.97 TIMING: 357000 CPU: 1069.31, 0.00297249/step Wall: 1069.31, 0.00297249/step, 3.83368 hours remaining, 204.640625 MB of memory in use. ENERGY: 357000 763.1957 2140.0622 1954.9488 100.9951 -206227.8161 17920.6097 0.0000 0.0000 34225.2131 -149122.7916 298.8973 -183348.0046 -149028.5381 300.1559 87.9193 120.5503 556083.8126 14.6441 14.7425 PRESSURE: 357200 -259.177 -58.1177 25.5498 -58.1175 -17.7535 129.52 25.5502 129.521 -215.957 GPRESSURE: 357200 -235.205 -2.68371 14.2866 -84.4449 -47.2078 61.6945 20.1162 175.843 -108.301 PRESSAVG: 357200 44.8308 8.59416 32.8366 8.5942 -3.81518 23.3652 32.8366 23.3652 -61.8 GPRESSAVG: 357200 46.0276 9.2111 32.1784 7.49051 -4.33317 20.1812 34.9267 26.4714 -62.3497 TIMING: 357200 CPU: 1069.91, 0.00299725/step Wall: 1069.91, 0.00299725/step, 3.86545 hours remaining, 204.640625 MB of memory in use. ENERGY: 357200 721.3426 2071.4480 1981.0291 113.4410 -205796.6967 17478.6584 0.0000 0.0000 34306.0180 -149124.7597 299.6030 -183430.7777 -149028.8996 300.0511 -164.2958 -130.2381 557646.3105 -6.9281 -6.8851 PRESSURE: 357400 -171.577 -48.2131 26.2292 -48.2137 -252.244 -54.1731 26.2307 -54.173 -234.603 GPRESSURE: 357400 -163.452 -50.7805 91.7125 5.99139 -168.209 -97.0915 -82.9042 -66.3955 -230.026 PRESSAVG: 357400 -0.673898 -3.21634 7.3254 -3.21632 -56.9864 23.8204 7.3255 23.8204 70.5313 GPRESSAVG: 357400 -3.06312 -4.04336 7.67189 -3.92985 -57.4374 26.9868 6.79788 20.559 73.4897 TIMING: 357400 CPU: 1070.51, 0.00299239/step Wall: 1070.51, 0.00299239/step, 3.85902 hours remaining, 204.640625 MB of memory in use. ENERGY: 357400 778.6657 2029.8829 1979.8777 125.1590 -205672.2226 17467.3306 0.0000 0.0000 34146.7279 -149144.5788 298.2119 -183291.3067 -149050.2969 299.6777 -219.4748 -187.2290 557798.1607 4.2904 4.3297 PRESSURE: 357600 39.5387 -148.837 47.1154 -148.837 164.336 152.023 47.1161 152.023 -77.9281 GPRESSURE: 357600 35.6003 -133.755 15.067 -97.8732 214.476 146.92 3.52366 87.5002 -20.0745 PRESSAVG: 357600 38.9113 -43.3509 -30.4353 -43.351 -37.2304 25.4726 -30.4352 25.4724 42.6567 GPRESSAVG: 357600 40.2542 -40.5943 -30.8099 -42.4441 -37.0857 25.0546 -30.5179 25.4078 41.5641 TIMING: 357600 CPU: 1071.11, 0.00300056/step Wall: 1071.11, 0.00300056/step, 3.86939 hours remaining, 204.640625 MB of memory in use. ENERGY: 357600 741.2193 2067.1991 1970.1488 116.2865 -206271.9161 17895.1119 0.0000 0.0000 34200.9687 -149280.9818 298.6856 -183481.9505 -149185.1053 299.9049 41.9820 76.6672 556267.0964 14.7792 14.9109 PRESSURE: 357800 10.2072 -59.3991 99.4697 -59.3996 14.9102 101.444 99.4707 101.445 218.669 GPRESSURE: 357800 37.5584 -143.623 209.126 -17.5032 13.3491 103.01 97.1096 94.874 277.829 PRESSAVG: 357800 7.32477 -5.61919 -38.4116 -5.61904 1.14562 -25.7313 -38.4115 -25.7311 6.89423 GPRESSAVG: 357800 7.37261 -6.79919 -35.1581 -5.95979 1.83214 -25.9317 -40.9378 -24.131 6.86536 TIMING: 357800 CPU: 1071.71, 0.0030073/step Wall: 1071.71, 0.0030073/step, 3.87791 hours remaining, 204.640625 MB of memory in use. ENERGY: 357800 723.2907 2079.7148 1953.0826 95.3827 -205990.9793 17777.6816 0.0000 0.0000 34133.4107 -149228.4161 298.0956 -183361.8269 -149133.0448 299.8759 81.2620 109.5788 556434.1768 5.1215 5.3567 PRESSURE: 358000 201.769 -25.5256 -12.4062 -25.5258 -166.454 90.0104 -12.4059 90.0108 -149.826 GPRESSURE: 358000 239.684 -38.7993 -16.5141 -66.4108 -142.812 25.2378 -3.71481 33.5879 -130.727 PRESSAVG: 358000 42.1844 -16.8966 -15.653 -16.8966 33.9054 0.207828 -15.6529 0.207869 -75.3992 GPRESSAVG: 358000 41.98 -16.708 -17.5127 -18.1425 33.8718 -0.201833 -13.8947 -0.147234 -75.3545 TIMING: 358000 CPU: 1072.31, 0.00301956/step Wall: 1072.31, 0.00301956/step, 3.89356 hours remaining, 204.640625 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: 358000 732.8719 2081.3045 1932.6409 109.1630 -206074.7933 17778.9391 0.0000 0.0000 34174.4918 -149265.3820 298.4543 -183439.8738 -149167.6506 299.4638 -38.1703 -11.2850 556661.9612 0.2302 0.1658 PRESSURE: 358200 -4.102 -90.9716 -92.7332 -90.9723 -189.799 207.296 -92.734 207.297 -2.06737 GPRESSURE: 358200 19.8809 -117.303 -94.395 -54.4371 -168.637 234.558 -99.3021 167.51 53.146 PRESSAVG: 358200 51.9268 -36.1294 20.7359 -36.1294 -94.6774 54.9059 20.7359 54.9058 58.5911 GPRESSAVG: 358200 52.6777 -36.5708 16.8917 -32.7001 -94.3626 55.2993 20.0037 57.1824 57.7656 TIMING: 358200 CPU: 1072.91, 0.00299515/step Wall: 1072.91, 0.00299515/step, 3.86192 hours remaining, 204.640625 MB of memory in use. ENERGY: 358200 680.3585 2114.6537 1933.7637 107.0346 -206113.0733 17624.3749 0.0000 0.0000 34354.6328 -149298.2550 300.0276 -183652.8878 -149198.4078 299.4150 -65.3227 -31.8700 556148.3535 5.2802 5.3602 PRESSURE: 358400 -37.9019 48.5919 -19.0061 48.5936 177.987 -126.138 -19.0062 -126.138 38.3963 GPRESSURE: 358400 -9.29084 12.1532 25.38 47.3608 185.021 -112.451 -86.3067 -62.2404 94.2 PRESSAVG: 358400 5.46097 18.0405 -58.0764 18.0404 -27.3866 -7.80159 -58.0764 -7.80171 32.9533 GPRESSAVG: 358400 3.92396 17.2198 -54.8905 19.8522 -27.4494 -7.26569 -56.0441 -9.51716 34.3668 TIMING: 358400 CPU: 1073.51, 0.00298963/step Wall: 1073.51, 0.00298963/step, 3.85463 hours remaining, 204.640625 MB of memory in use. ENERGY: 358400 760.8042 2047.0948 1962.3162 117.0133 -206232.4723 17829.7263 0.0000 0.0000 34194.8269 -149320.6906 298.6319 -183515.5175 -149226.9889 298.6840 59.4939 89.9768 557994.4703 3.6759 3.6138 PRESSURE: 358600 -63.2913 -106.356 51.686 -106.357 43.8199 -9.22085 51.6864 -9.22227 108.308 GPRESSURE: 358600 13.1657 -84.5041 90.9296 -106.295 99.2683 51.2661 48.5892 -24.3561 78.2062 PRESSAVG: 358600 -74.513 -24.1583 16.1468 -24.1583 68.1206 -17.1413 16.1468 -17.1412 -23.1465 GPRESSAVG: 358600 -73.4806 -24.7958 17.169 -27.0473 67.9579 -17.5898 14.2337 -15.9511 -23.4915 TIMING: 358600 CPU: 1074.1, 0.00297581/step Wall: 1074.1, 0.00297581/step, 3.83665 hours remaining, 204.640625 MB of memory in use. ENERGY: 358600 710.7160 2041.6596 1933.2965 110.3774 -206232.8887 17939.3263 0.0000 0.0000 34055.0600 -149442.4530 297.4113 -183497.5130 -149338.8049 298.7048 29.6122 63.5467 557945.8701 -9.8463 -9.6714 PRESSURE: 358800 164.784 -58.9863 -75.0734 -58.9865 164.087 -34.0974 -75.0743 -34.098 -68.4253 GPRESSURE: 358800 173.518 18.5204 -78.5476 -15.115 231.275 -82.8859 -77.8004 -59.8289 -42.5066 PRESSAVG: 358800 12.7687 7.28022 -2.80759 7.28009 -11.8863 -23.2132 -2.80762 -23.2132 -2.29744 GPRESSAVG: 358800 11.4031 9.18965 -4.6799 6.74148 -11.5019 -23.9606 -0.733418 -23.3987 -1.58123 TIMING: 358800 CPU: 1074.7, 0.00298558/step Wall: 1074.7, 0.00298558/step, 3.84908 hours remaining, 204.640625 MB of memory in use. ENERGY: 358800 717.6942 2106.3339 1947.5555 108.6416 -206209.8022 17895.7045 0.0000 0.0000 34065.5660 -149368.3065 297.5031 -183433.8724 -149269.2218 298.5282 86.8151 120.7622 557331.6592 -0.4717 -0.5600 PRESSURE: 359000 -79.2417 -38.309 -123.21 -38.3073 72.7543 228.212 -123.211 228.212 -245.882 GPRESSURE: 359000 12.8013 -5.01798 -116.07 -45.6436 92.3986 216.344 -177.287 151.434 -255.614 PRESSAVG: 359000 49.8673 -42.4127 -3.66196 -42.4126 9.40684 18.6277 -3.66191 18.6276 -54.5972 GPRESSAVG: 359000 51.0336 -41.36 -3.89208 -41.6866 8.23458 18.379 -1.84509 17.3298 -55.2896 TIMING: 359000 CPU: 1075.3, 0.00298138/step Wall: 1075.3, 0.00298138/step, 3.8435 hours remaining, 204.640625 MB of memory in use. ENERGY: 359000 729.5443 2070.3067 1933.1955 109.8528 -206210.1493 17799.7681 0.0000 0.0000 34235.9894 -149331.4925 298.9914 -183567.4818 -149239.6102 299.0208 -84.1231 -50.1379 556531.1872 1.5590 1.3262 PRESSURE: 359200 52.1881 -48.7579 -1.97667 -48.7586 265.811 138.032 -1.97805 138.031 142.467 GPRESSURE: 359200 114.08 -65.1783 43.0384 -45.9823 288.055 127.708 -19.3486 110.821 173.912 PRESSAVG: 359200 33.5383 19.8973 6.70133 19.8972 -23.211 38.6286 6.70127 38.6287 -40.8198 GPRESSAVG: 359200 34.1287 18.494 6.68054 19.3858 -23.7564 39.9481 4.94251 40.1412 -40.3269 TIMING: 359200 CPU: 1075.89, 0.00298094/step Wall: 1075.89, 0.00298094/step, 3.84276 hours remaining, 204.640625 MB of memory in use. ENERGY: 359200 738.1425 2030.8126 1949.2254 123.9293 -206376.6526 18023.6636 0.0000 0.0000 34030.9242 -149479.9551 297.2005 -183510.8793 -149387.2756 298.6969 153.4888 192.0155 555260.8337 -10.1642 -9.9849 PRESSURE: 359400 90.7163 -97.8678 -27.3377 -97.868 -170.423 111.96 -27.3374 111.962 -26.1421 GPRESSURE: 359400 104.248 -94.5041 -50.9623 -162.359 -179.912 79.3271 -32.4021 110.568 71.3471 PRESSAVG: 359400 -48.9734 -47.6165 60.6455 -47.6164 43.1164 31.1342 60.6455 31.1341 8.2568 GPRESSAVG: 359400 -49.2284 -48.2267 61.7121 -47.7326 44.438 30.9023 60.0651 30.1015 7.54959 TIMING: 359400 CPU: 1076.49, 0.00298863/step Wall: 1076.49, 0.00298863/step, 3.85251 hours remaining, 204.640625 MB of memory in use. ENERGY: 359400 677.8030 2047.2244 1931.8768 105.5141 -206166.5780 17716.6361 0.0000 0.0000 34035.3466 -149652.1769 297.2391 -183687.5236 -149556.8371 298.4026 -35.2829 -1.4390 557817.8754 0.8000 0.9197 PRESSURE: 359600 -116.065 33.2103 178.83 33.2108 -171.203 -31.8033 178.83 -31.8019 -196.546 GPRESSURE: 359600 -56.4448 38.9428 176.097 17.1425 -127.439 8.57298 190.729 -74.0021 -218.724 PRESSAVG: 359600 17.6291 -91.8352 22.0661 -91.8352 2.8264 0.780385 22.0661 0.780269 -35.4723 GPRESSAVG: 359600 16.6573 -91.9807 22.4351 -89.8225 2.55628 0.485751 23.0943 0.194117 -34.261 TIMING: 359600 CPU: 1077.09, 0.00299269/step Wall: 1077.09, 0.00299269/step, 3.85757 hours remaining, 204.640625 MB of memory in use. ENERGY: 359600 714.2664 2066.6834 1952.8090 108.4116 -206079.1100 17673.2616 0.0000 0.0000 34126.6104 -149437.0676 298.0362 -183563.6780 -149342.5348 298.9988 -161.2713 -134.2026 559054.4635 -5.0056 -5.0158 PRESSURE: 359800 -215.26 -9.94832 -17.5031 -9.94762 -160.374 125.757 -17.504 125.755 35.4778 GPRESSURE: 359800 -165.719 167.948 -1.4975 -3.21649 -154.543 80.3119 25.6764 103.364 67.2591 PRESSAVG: 359800 24.2031 -30.6768 13.6244 -30.6768 -15.3101 -14.8298 13.6244 -14.8299 -10.2881 GPRESSAVG: 359800 25.9666 -29.1546 14.7456 -32.8304 -15.6082 -16.4033 11.505 -13.0817 -12.081 TIMING: 359800 CPU: 1077.69, 0.0029864/step Wall: 1077.69, 0.0029864/step, 3.84931 hours remaining, 204.640625 MB of memory in use. ENERGY: 359800 718.5711 2099.4802 1957.8863 112.8488 -206100.3118 17577.8840 0.0000 0.0000 34269.6825 -149363.9589 299.2857 -183633.6414 -149270.0514 298.9264 -113.3853 -84.3344 558147.2689 -0.4650 -0.5742 PRESSURE: 360000 -19.8321 65.7573 44.3285 65.7568 -235.132 -3.04453 44.3297 -3.04537 96.9026 GPRESSURE: 360000 27.0246 124.635 52.3958 22.6165 -212.686 -59.6032 85.4625 16.9515 120.331 PRESSAVG: 360000 -4.58984 -52.9981 13.7482 -52.998 -25.1822 32.1986 13.7483 32.1987 53.1095 GPRESSAVG: 360000 -4.99967 -53.5563 11.758 -53.1835 -24.834 33.1506 15.5724 31.7747 53.3166 TIMING: 360000 CPU: 1078.29, 0.00300479/step Wall: 1078.29, 0.00300479/step, 3.87284 hours remaining, 204.640625 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: 360000 745.4373 2116.8193 1964.4771 108.8423 -206216.5358 17686.1935 0.0000 0.0000 34220.0761 -149374.6902 298.8524 -183594.7663 -149280.1471 299.3532 -52.6871 -21.7766 557094.5812 7.7791 7.8276 PRESSURE: 360200 106.619 -60.8077 -3.32009 -60.8073 186.52 -158.823 -3.31968 -158.822 138.743 GPRESSURE: 360200 64.6993 33.0071 8.0609 -76.9106 281.601 -236.606 -95.161 -114.991 176.624 PRESSAVG: 360200 -8.38983 19.1914 -31.6298 19.1915 -14.1001 -0.714387 -31.6298 -0.714384 -21.9653 GPRESSAVG: 360200 -9.59729 20.0728 -30.5017 20.2217 -14.0505 -1.32025 -30.9727 -1.27308 -21.1016 TIMING: 360200 CPU: 1078.89, 0.00302681/step Wall: 1078.89, 0.00302681/step, 3.90105 hours remaining, 204.640625 MB of memory in use. ENERGY: 360200 713.3430 2102.4997 1957.2750 112.7501 -206238.2529 17875.1533 0.0000 0.0000 34144.7696 -149332.4623 298.1948 -183477.2319 -149238.9171 299.1883 143.9603 174.3081 555560.9839 -14.8184 -14.9165 LDB: ============= START OF LOAD BALANCING ============== 1082.41 LDB: ============== END OF LOAD BALANCING =============== 1082.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1082.41 LDB: ============= START OF LOAD BALANCING ============== 1082.72 LDB: Largest compute 4773 load 0.030618 is 26.0% of average load 0.117780 LDB: Average compute 0.001729 is 1.5% of average load 0.117780 LDB: TIME 1082.72 LOAD: AVG 0.11778 MAX 0.213218 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.719 MB LDB: TIME 1082.72 LOAD: AVG 0.11778 MAX 0.213218 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.926 MB LDB: TIME 1082.72 LOAD: AVG 0.11778 MAX 0.213218 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.926 MB LDB: ============== END OF LOAD BALANCING =============== 1082.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1082.72 PRESSURE: 360400 7.47434 -91.8588 47.2563 -91.858 6.36408 -84.3625 47.2575 -84.363 146.202 GPRESSURE: 360400 53.7928 -94.9017 55.486 -56.3722 36.2969 -92.797 17.5517 -65.1643 164.823 PRESSAVG: 360400 37.5312 -54.6244 40.6941 -54.6244 6.06549 5.55952 40.6941 5.55964 -7.33063 GPRESSAVG: 360400 36.6202 -54.9112 39.4339 -55.2732 5.28673 9.20344 39.4258 4.62821 -6.05974 TIMING: 360400 CPU: 1079.51, 0.00307208/step Wall: 1079.51, 0.00307208/step, 3.95923 hours remaining, 207.062500 MB of memory in use. ENERGY: 360400 728.5077 2095.7954 1957.3266 123.5764 -206084.5910 17768.0369 0.0000 0.0000 34138.7604 -149272.5876 298.1423 -183411.3480 -149184.5768 299.0866 53.3467 84.9710 555355.6263 12.0887 11.9491 PRESSURE: 360600 -73.8329 -218.055 45.3295 -218.055 131.09 -110.748 45.3282 -110.749 -450.212 GPRESSURE: 360600 -36.0462 -152.951 72.8843 -159.712 140.394 -78.6826 28.9558 -90.8917 -403.219 PRESSAVG: 360600 -2.9599 -13.8671 -10.697 -13.8671 5.68514 12.2307 -10.6969 12.2306 11.1656 GPRESSAVG: 360600 -2.37691 -14.3474 -10.0198 -12.7784 5.39481 8.45936 -10.3961 12.7054 10.328 TIMING: 360600 CPU: 1080.11, 0.00302193/step Wall: 1080.11, 0.00302193/step, 3.89442 hours remaining, 207.265625 MB of memory in use. ENERGY: 360600 767.3253 2144.1143 1951.5720 115.7197 -206403.3735 17613.5499 0.0000 0.0000 34590.2222 -149220.8700 302.0850 -183811.0922 -149122.9170 299.7387 -130.9848 -99.6237 556040.1163 4.6303 4.4486 PRESSURE: 360800 38.3687 111.938 138.329 111.938 -312.261 -76.5529 138.328 -76.5526 -50.7804 GPRESSURE: 360800 55.5563 86.7283 114.388 85.4469 -253.957 -70.8564 72.0205 -179.74 -45.6749 PRESSAVG: 360800 10.8501 12.0704 -15.0997 12.0704 -36.6481 -65.9304 -15.0996 -65.9304 9.10538 GPRESSAVG: 360800 10.7487 12.0579 -14.7911 12.1293 -36.8806 -65.0837 -16.1442 -65.587 8.85038 TIMING: 360800 CPU: 1080.71, 0.00299119/step Wall: 1080.71, 0.00299119/step, 3.85465 hours remaining, 207.265625 MB of memory in use. ENERGY: 360800 750.6800 2162.7922 1939.0451 110.9064 -206059.5255 17613.1381 0.0000 0.0000 34255.7901 -149227.1737 299.1643 -183482.9638 -149131.0856 300.0585 -108.2242 -81.3586 556979.4944 -5.5642 -5.7605 PRESSURE: 361000 -14.5278 66.4116 83.1312 66.4118 -161.531 33.2093 83.1309 33.2081 -258.288 GPRESSURE: 361000 44.7131 49.3535 121.839 -29.8089 -152.847 28.2657 11.2367 120.378 -232.487 PRESSAVG: 361000 88.7954 23.6186 9.10035 23.6187 -44.5373 -31.4176 9.10032 -31.4176 -15.8373 GPRESSAVG: 361000 89.7412 23.3721 6.94717 22.5204 -44.8756 -32.062 11.3187 -29.916 -16.1794 TIMING: 361000 CPU: 1081.31, 0.00299394/step Wall: 1081.31, 0.00299394/step, 3.85802 hours remaining, 207.265625 MB of memory in use. ENERGY: 361000 803.3782 2081.5817 1979.9107 117.4080 -206497.2726 17820.9938 0.0000 0.0000 34373.6764 -149320.3237 300.1939 -183694.0001 -149229.9057 300.0689 -144.7821 -113.5400 557704.5344 9.4736 9.5621 PRESSURE: 361200 125.545 95.1756 51.13 95.1761 54.365 90.8732 51.1287 90.8726 -146.848 GPRESSURE: 361200 161.606 72.5789 45.467 59.6243 16.4239 -20.9304 30.5578 110.325 -45.6411 PRESSAVG: 361200 87.6912 -2.61019 4.22207 -2.61025 -39.8521 24.5586 4.22214 24.5588 -30.0512 GPRESSAVG: 361200 86.8679 -3.40205 5.15675 -0.66769 -39.7487 25.7323 4.94638 22.4219 -29.3475 TIMING: 361200 CPU: 1081.9, 0.00297659/step Wall: 1081.9, 0.00297659/step, 3.8355 hours remaining, 207.265625 MB of memory in use. ENERGY: 361200 759.2431 2123.2777 1964.3759 110.0039 -206307.4574 17780.3428 0.0000 0.0000 34397.4968 -149172.7173 300.4019 -183570.2141 -149074.6194 299.1929 11.0208 44.1297 557489.1595 5.9293 5.9239 PRESSURE: 361400 95.843 85.2845 -109.063 85.2855 70.5139 3.23784 -109.063 3.23768 -16.9816 GPRESSURE: 361400 163.57 88.867 -104.643 88.3645 25.4701 -1.99619 -116.407 -1.39606 60.8128 PRESSAVG: 361400 20.3227 49.6011 15.8754 49.601 -14.6897 28.0183 15.8754 28.0184 6.68848 GPRESSAVG: 361400 20.1846 51.2066 15.8691 49.1035 -14.0255 27.4756 13.563 27.9821 5.84191 TIMING: 361400 CPU: 1082.5, 0.00298494/step Wall: 1082.5, 0.00298494/step, 3.8461 hours remaining, 207.265625 MB of memory in use. ENERGY: 361400 731.8712 2118.5718 1923.0289 117.2512 -206637.7976 17909.9198 0.0000 0.0000 34480.5289 -149356.6259 301.1270 -183837.1548 -149262.8755 298.8124 49.7918 83.2843 557820.9509 4.1072 4.0003 PRESSURE: 361600 -46.6831 -60.9581 60.9809 -60.9576 125.578 -130.702 60.9808 -130.703 25.207 GPRESSURE: 361600 -20.9363 -91.4843 125.523 -62.5044 166.663 -130.648 -24.7378 -15.3199 48.4897 PRESSAVG: 361600 18.4756 -37.3348 -71.1273 -37.3349 63.6607 39.5907 -71.1274 39.5907 -103.736 GPRESSAVG: 361600 18.2754 -38.856 -70.9182 -37.3262 63.1956 38.7804 -69.3223 40.3078 -103.366 TIMING: 361600 CPU: 1083.1, 0.00297948/step Wall: 1083.1, 0.00297948/step, 3.8389 hours remaining, 207.265625 MB of memory in use. ENERGY: 361600 764.5324 2081.2991 1940.7528 107.1103 -206037.1500 17658.9334 0.0000 0.0000 34002.0893 -149482.4328 296.9487 -183484.5220 -149383.5774 299.0050 34.7007 64.7388 557206.9631 -7.1998 -7.2984 PRESSURE: 361800 304.724 -147.133 153.34 -147.131 220.102 -76.8728 153.341 -76.8713 131.048 GPRESSURE: 361800 341.852 -136.226 199.042 -199.547 207.657 -139.469 193.184 -56.454 198.164 PRESSAVG: 361800 39.972 -58.7205 -23.4365 -58.7204 0.979333 29.3851 -23.4365 29.3852 -40.3059 GPRESSAVG: 361800 39.7725 -58.1259 -23.0956 -58.7943 1.46683 30.4046 -24.7411 28.431 -40.2723 TIMING: 361800 CPU: 1083.7, 0.0029928/step Wall: 1083.7, 0.0029928/step, 3.85588 hours remaining, 207.265625 MB of memory in use. ENERGY: 361800 748.3147 2059.1337 1927.7539 121.8420 -206652.9137 18124.6267 0.0000 0.0000 34178.9441 -149492.2986 298.4932 -183671.2427 -149394.4889 298.5310 218.6245 249.2241 557579.6095 0.2151 0.3223 PRESSURE: 362000 -46.9208 -8.46274 -76.7096 -8.46406 -197.136 -65.8441 -76.7104 -65.8447 -188.325 GPRESSURE: 362000 2.86012 -14.5499 -77.1959 -18.6629 -157.887 -19.3654 -72.4737 19.5439 -178.516 PRESSAVG: 362000 86.6615 0.720209 -89.1339 0.720175 -67.4075 -19.5321 -89.134 -19.532 -2.70672 GPRESSAVG: 362000 87.3559 1.31018 -90.4485 0.932755 -67.7901 -21.8744 -88.6608 -17.7161 -3.23473 TIMING: 362000 CPU: 1084.3, 0.00300087/step Wall: 1084.3, 0.00300087/step, 3.86612 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: 362000 753.5575 2093.2834 1925.7466 107.4693 -206497.3830 17918.8202 0.0000 0.0000 34154.1221 -149544.3839 298.2764 -183698.5061 -149451.7589 298.5848 -144.1272 -111.1811 559132.1684 5.5158 5.4437 PRESSURE: 362200 258.482 132.31 -46.7861 132.31 -57.5989 56.5911 -46.7857 56.5908 -24.3394 GPRESSURE: 362200 301.43 137.949 1.44604 59.2145 -81.7026 41.37 -29.5454 44.9674 49.6726 PRESSAVG: 362200 58.4439 -43.6806 -42.6158 -43.6806 -19.3923 6.89127 -42.6157 6.89123 -36.587 GPRESSAVG: 362200 58.7491 -43.3797 -40.3456 -45.7416 -20.372 8.91768 -41.2801 6.93425 -36.6612 TIMING: 362200 CPU: 1084.9, 0.00302278/step Wall: 1084.9, 0.00302278/step, 3.89418 hours remaining, 207.265625 MB of memory in use. ENERGY: 362200 718.6845 2053.7293 1962.4132 109.9398 -206835.7847 18190.3387 0.0000 0.0000 34215.9008 -149584.7785 298.8160 -183800.6793 -149491.4653 298.3805 58.8479 89.7999 558283.7731 0.8215 0.5719 PRESSURE: 362400 302.116 25.6762 46.7459 25.6755 -150.131 34.2187 46.7476 34.2179 107.576 GPRESSURE: 362400 286.709 49.8555 23.8045 37.2433 -81.6833 34.2383 80.7324 39.547 146.671 PRESSAVG: 362400 55.9276 28.7943 -23.493 28.7942 -62.7404 -12.1992 -23.4931 -12.1992 12.5159 GPRESSAVG: 362400 54.8166 29.7006 -23.9443 29.4226 -62.064 -10.6563 -25.8649 -16.6964 13.218 TIMING: 362400 CPU: 1085.5, 0.00300647/step Wall: 1085.5, 0.00300647/step, 3.873 hours remaining, 207.265625 MB of memory in use. ENERGY: 362400 713.1723 2097.6875 1974.6398 112.7118 -206526.8504 17907.8324 0.0000 0.0000 34187.2419 -149533.5648 298.5657 -183720.8067 -149441.0603 298.6920 86.5204 117.2320 556100.7261 1.9010 1.9902 PRESSURE: 362600 119.433 -51.1881 -20.8066 -51.1872 -13.6169 9.64604 -20.807 9.64431 262.916 GPRESSURE: 362600 159.903 27.678 14.5246 -80.9753 -36.963 26.2029 -76.5001 -17.5979 353.123 PRESSAVG: 362600 -7.04345 25.4944 2.82717 25.4944 -25.1833 6.76391 2.82709 6.76387 32.862 GPRESSAVG: 362600 -7.12509 25.16 2.14617 26.8271 -25.6269 4.47139 1.8192 10.3075 33.0476 TIMING: 362600 CPU: 1086.1, 0.00300079/step Wall: 1086.1, 0.00300079/step, 3.86551 hours remaining, 207.265625 MB of memory in use. ENERGY: 362600 757.5951 2158.2358 1918.8529 119.9241 -206786.2136 18133.7550 0.0000 0.0000 34191.5284 -149506.3223 298.6031 -183697.8508 -149412.1655 298.8625 122.9106 158.6874 556700.1335 0.2117 0.0986 PRESSURE: 362800 -370.738 14.7906 63.2714 14.7906 -272.834 39.5545 63.271 39.5542 -452.988 GPRESSURE: 362800 -340.495 51.0333 116.868 -88.852 -198.429 59.9284 81.6277 115.436 -467.325 PRESSAVG: 362800 -18.4061 3.87407 13.334 3.87399 13.862 -7.83456 13.334 -7.8346 22.7072 GPRESSAVG: 362800 -19.2007 4.98351 12.8017 2.33915 14.7179 -7.02232 13.5014 -8.35222 22.01 TIMING: 362800 CPU: 1086.7, 0.00298446/step Wall: 1086.7, 0.00298446/step, 3.84432 hours remaining, 207.265625 MB of memory in use. ENERGY: 362800 769.8439 2138.5321 1923.8156 116.3666 -206124.3675 17440.7970 0.0000 0.0000 34240.0845 -149494.9278 299.0272 -183735.0123 -149400.8325 298.6896 -365.5202 -335.4163 556666.5246 6.0544 5.8424 PRESSURE: 363000 -303.631 -20.0449 -85.6238 -20.0455 -168.446 -143.595 -85.624 -143.595 71.1231 GPRESSURE: 363000 -239.927 -41.3358 -72.01 24.1003 -162.29 -156.864 -96.6751 -71.005 93.6481 PRESSAVG: 363000 -8.19753 7.25776 35.952 7.25769 26.0667 -28.851 35.9521 -28.851 13.4905 GPRESSAVG: 363000 -7.29239 6.51948 36.7366 7.65185 25.9073 -28.4641 37.0454 -29.0554 12.7636 TIMING: 363000 CPU: 1087.3, 0.00298343/step Wall: 1087.3, 0.00298343/step, 3.84282 hours remaining, 207.265625 MB of memory in use. ENERGY: 363000 759.3202 2084.3972 1937.0689 121.8422 -206152.5732 17599.9446 0.0000 0.0000 34160.3057 -149489.6943 298.3304 -183650.0000 -149389.9513 298.1886 -133.6510 -102.8565 556616.4528 10.4532 10.4595 PRESSURE: 363200 238.449 -101.376 -107.701 -101.376 1.05351 -64.5842 -107.702 -64.5839 -189.043 GPRESSURE: 363200 205.318 -53.0599 -174.509 -49.1501 17.7191 -41.5959 -130.391 -65.4601 -70.6156 PRESSAVG: 363200 -37.4565 35.7428 -10.1051 35.7427 -72.1275 3.26434 -10.105 3.26427 118.714 GPRESSAVG: 363200 -37.4898 35.0067 -10.7583 36.5788 -72.8446 2.29916 -12.3144 2.80961 119.373 TIMING: 363200 CPU: 1087.9, 0.00301423/step Wall: 1087.9, 0.00301423/step, 3.88233 hours remaining, 207.265625 MB of memory in use. ENERGY: 363200 769.7673 2071.3871 1930.9143 107.9305 -206426.0223 17856.7526 0.0000 0.0000 34063.4139 -149625.8566 297.4843 -183689.2704 -149537.7055 298.7090 16.8196 50.8072 554902.6206 3.0432 3.0128 PRESSURE: 363400 -366.505 49.1602 -38.6983 49.159 -28.4351 125.412 -38.7001 125.412 -156.571 GPRESSURE: 363400 -353.082 64.1735 57.1337 42.9219 -34.4092 177.828 -143.736 230.535 -73.0676 PRESSAVG: 363400 -44.3144 -18.234 -2.37392 -18.234 -0.7298 -69.687 -2.37386 -69.6869 13.3678 GPRESSAVG: 363400 -44.1797 -17.3071 -1.94015 -18.3215 -0.0359281 -67.4855 -1.50948 -68.8516 12.5032 TIMING: 363400 CPU: 1088.5, 0.00301191/step Wall: 1088.5, 0.00301191/step, 3.87918 hours remaining, 207.265625 MB of memory in use. ENERGY: 363400 768.2332 2107.9082 1937.5397 107.1638 -206245.6048 17478.5265 0.0000 0.0000 34188.6184 -149657.6151 298.5777 -183846.2335 -149561.2659 298.2266 -183.8369 -153.5195 556304.4130 -10.5588 -10.5708 PRESSURE: 363600 46.6017 -140.416 11.5477 -140.417 -70.428 -174.622 11.549 -174.623 -41.1669 GPRESSURE: 363600 51.9147 -45.1782 51.7364 -223.968 22.7839 -118.147 -28.3027 -111.645 -50.963 PRESSAVG: 363600 -62.6024 23.3263 43.4095 23.3263 40.2534 -58.9719 43.4095 -58.972 8.06982 GPRESSAVG: 363600 -62.6842 23.386 43.0429 21.4187 39.748 -62.0533 43.3922 -60.2973 8.6001 TIMING: 363600 CPU: 1089.1, 0.00300946/step Wall: 1089.1, 0.00300946/step, 3.87585 hours remaining, 207.265625 MB of memory in use. ENERGY: 363600 762.0083 2072.7568 1959.1108 117.9211 -206654.6796 17801.2538 0.0000 0.0000 34214.0181 -149727.6108 298.7995 -183941.6289 -149630.7796 298.4570 -21.6644 7.9119 555911.6210 -4.7597 -4.7787 PRESSURE: 363800 157.595 56.8219 -7.16156 56.8228 -265.506 142.616 -7.15996 142.615 14.7187 GPRESSURE: 363800 200.797 46.1639 -38.9995 -1.3604 -179.275 113.597 30.3671 153.284 -6.15372 PRESSAVG: 363800 -94.8674 -36.2618 -3.63095 -36.2618 55.7297 -14.5239 -3.63087 -14.5239 5.63683 GPRESSAVG: 363800 -94.5779 -38.0352 -2.45266 -35.1578 56.3298 -13.194 -2.12357 -12.6787 4.56235 TIMING: 363800 CPU: 1089.71, 0.0030113/step Wall: 1089.71, 0.0030113/step, 3.87805 hours remaining, 207.265625 MB of memory in use. ENERGY: 363800 760.5247 2100.7622 1963.2963 106.7003 -206613.8548 17840.9480 0.0000 0.0000 34090.7204 -149750.9028 297.7227 -183841.6232 -149654.9441 298.6318 -31.0644 5.1228 556786.6099 -11.1670 -11.2286 PRESSURE: 364000 -19.0779 16.0103 -74.9063 16.0098 -244.781 -125.106 -74.9058 -125.106 -33.4639 GPRESSURE: 364000 -40.952 102.27 -118.453 -41.8189 -194.292 -153.474 0.935331 -143.913 35.7195 PRESSAVG: 364000 19.9091 -12.2317 -21.8869 -12.2317 21.2051 -6.15339 -21.8869 -6.15341 -23.2314 GPRESSAVG: 364000 18.8389 -10.9833 -22.3674 -11.8305 21.7503 -7.77936 -23.9 -4.96786 -23.1458 TIMING: 364000 CPU: 1090.3, 0.00299629/step Wall: 1090.3, 0.00299629/step, 3.85856 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: 364000 756.6687 2137.1015 1945.8904 115.2465 -206438.6387 17619.1021 0.0000 0.0000 34150.4414 -149714.1880 298.2443 -183864.6294 -149611.0158 298.3288 -99.1076 -66.5082 556947.8171 5.9609 5.8145 PRESSURE: 364200 271.348 -110.044 6.19362 -110.044 -28.7197 104.546 6.1942 104.546 195.683 GPRESSURE: 364200 251.269 -148.978 -69.0792 -32.1654 35.1873 83.8071 -104.841 123.021 239.134 PRESSAVG: 364200 57.1803 -42.4681 32.5377 -42.4681 -18.2073 29.1741 32.5376 29.1741 -55.1726 GPRESSAVG: 364200 56.5808 -43.5154 31.9787 -43.703 -17.8061 28.7563 33.5965 27.8825 -55.3415 TIMING: 364200 CPU: 1090.91, 0.00301627/step Wall: 1090.91, 0.00301627/step, 3.88412 hours remaining, 207.265625 MB of memory in use. ENERGY: 364200 779.2208 2065.0603 1959.3060 112.5553 -207146.3704 18162.1255 0.0000 0.0000 34212.3236 -149855.7789 298.7847 -184068.1025 -149763.9987 298.7314 146.1036 175.1967 556809.7612 -5.3998 -5.5223 LDB: ============= START OF LOAD BALANCING ============== 1094.43 LDB: ============== END OF LOAD BALANCING =============== 1094.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1094.43 LDB: ============= START OF LOAD BALANCING ============== 1094.74 LDB: Largest compute 4773 load 0.029753 is 25.3% of average load 0.117756 LDB: Average compute 0.001724 is 1.5% of average load 0.117756 LDB: TIME 1094.74 LOAD: AVG 0.117756 MAX 0.212719 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.457 MB LDB: TIME 1094.74 LOAD: AVG 0.117756 MAX 0.212719 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.465 MB LDB: TIME 1094.74 LOAD: AVG 0.117756 MAX 0.212719 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.465 MB LDB: ============== END OF LOAD BALANCING =============== 1094.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1094.75 PRESSURE: 364400 -46.5395 -17.3447 -44.6039 -17.3444 174.021 -48.7332 -44.6039 -48.7337 -49.4107 GPRESSURE: 364400 8.56082 29.8752 -106.793 -66.9461 178.628 -91.3652 0.202701 -64.435 -9.30573 PRESSAVG: 364400 -1.42912 -0.0577243 17.2915 -0.0577441 49.3048 20.9316 17.2914 20.9315 -91.4289 GPRESSAVG: 364400 -1.42506 0.951286 15.1372 -0.503174 48.7536 22.0713 17.874 20.7911 -90.7076 TIMING: 364400 CPU: 1091.53, 0.00311375/step Wall: 1091.53, 0.00311375/step, 4.00947 hours remaining, 206.238281 MB of memory in use. ENERGY: 364400 752.2882 2137.4243 1929.9480 130.7135 -207003.2428 17999.3099 0.0000 0.0000 34239.9271 -149813.6318 299.0258 -184053.5589 -149715.7985 297.6261 26.0238 59.2944 555935.1583 -14.5177 -14.4597 PRESSURE: 364600 -358.719 39.2878 -17.6484 39.2892 -471.028 -31.1947 -17.6475 -31.1947 -100.438 GPRESSURE: 364600 -361.699 -20.2915 36.5486 5.01489 -426.695 24.0875 26.0828 5.50719 -59.2066 PRESSAVG: 364600 60.5617 11.9918 -17.9344 11.9919 -69.2615 -30.1158 -17.9343 -30.1158 19.4005 GPRESSAVG: 364600 60.6529 11.5772 -14.4022 11.7959 -68.5971 -30.4405 -19.5385 -29.6867 19.0361 TIMING: 364600 CPU: 1092.13, 0.00301259/step Wall: 1092.13, 0.00301259/step, 3.87905 hours remaining, 206.238281 MB of memory in use. ENERGY: 364600 754.6626 2118.9020 1901.5246 119.2475 -206604.7621 17595.0182 0.0000 0.0000 34211.8015 -149903.6057 298.7802 -184115.4072 -149796.3529 297.9344 -310.0616 -282.5336 557318.9653 3.5669 3.6973 PRESSURE: 364800 38.9835 -67.3512 7.45305 -67.3517 -88.5613 105.398 7.45301 105.399 -133.801 GPRESSURE: 364800 47.19 -36.4689 -26.0804 -32.3397 -72.4161 178.164 -42.7641 79.8548 -60.0411 PRESSAVG: 364800 9.99712 1.27151 -1.18379 1.2715 -7.53965 3.91212 -1.18374 3.91209 -15.6319 GPRESSAVG: 364800 11.9834 0.874943 -3.52089 1.68325 -7.95437 5.22993 0.945814 3.585 -16.5723 TIMING: 364800 CPU: 1092.73, 0.00300636/step Wall: 1092.73, 0.00300636/step, 3.87086 hours remaining, 206.238281 MB of memory in use. ENERGY: 364800 785.3573 2079.8800 1927.1603 108.5450 -206473.0274 17851.7552 0.0000 0.0000 33853.0652 -149867.2646 295.6472 -183720.3297 -149775.1028 298.2026 -61.1263 -28.4224 556953.3028 -4.3915 -4.1811 PRESSURE: 365000 -28.9453 102.921 23.3271 102.921 113.516 -101.269 23.3259 -101.27 219.927 GPRESSURE: 365000 1.73944 154.303 -1.89397 61.6128 123.756 -137.172 52.7494 -149.154 275.484 PRESSAVG: 365000 -4.74033 13.7753 -5.41664 13.7753 38.463 20.5437 -5.41676 20.5437 22.6459 GPRESSAVG: 365000 -5.74506 15.1017 -4.47677 14.3185 39.7516 19.2154 -7.22088 20.9513 22.2908 TIMING: 365000 CPU: 1093.34, 0.00300381/step Wall: 1093.34, 0.00300381/step, 3.86741 hours remaining, 206.238281 MB of memory in use. ENERGY: 365000 757.6874 2111.3241 1942.0531 117.1948 -206794.5497 18033.5929 0.0000 0.0000 33924.6223 -149908.0751 296.2722 -183832.6974 -149808.4607 297.5733 101.4994 133.6599 555448.7563 18.7895 18.7658 PRESSURE: 365200 -48.6275 30.839 -49.5396 30.8393 -141.957 -96.8723 -49.5391 -96.871 161.025 GPRESSURE: 365200 28.918 -42.6176 16.4552 -21.0945 -154.262 -178.863 -25.1392 7.24592 177.937 PRESSAVG: 365200 6.69922 -46.9092 3.59364 -46.9092 11.3393 8.9128 3.59365 8.91276 7.85162 GPRESSAVG: 365200 6.87166 -47.6524 4.32006 -46.6327 10.5093 9.21213 4.25707 9.27459 8.6964 TIMING: 365200 CPU: 1093.94, 0.00301258/step Wall: 1093.94, 0.00301258/step, 3.87853 hours remaining, 206.238281 MB of memory in use. ENERGY: 365200 769.6560 2101.9314 1930.9568 104.7392 -206629.7593 17813.3971 0.0000 0.0000 34178.1732 -149730.9056 298.4865 -183909.0788 -149633.3319 297.4712 -9.8532 17.5309 555853.3775 8.6300 8.6925 PRESSURE: 365400 273.534 -36.9679 -31.2158 -36.9677 207.635 -32.0072 -31.2152 -32.0076 97.8719 GPRESSURE: 365400 319.204 -70.4348 -74.9003 -39.1383 227.843 65.4957 43.7706 -42.3719 125.574 PRESSAVG: 365400 -24.4023 -9.17956 -29.5044 -9.17954 73.1749 23.6392 -29.5043 23.6392 -48.6446 GPRESSAVG: 365400 -23.9489 -7.23524 -28.3298 -9.8496 72.4589 24.065 -31.6043 20.2573 -48.2483 TIMING: 365400 CPU: 1094.54, 0.00299731/step Wall: 1094.54, 0.00299731/step, 3.8587 hours remaining, 206.238281 MB of memory in use. ENERGY: 365400 732.3785 2135.9765 1929.8956 116.9489 -206949.5434 18275.9977 0.0000 0.0000 34235.1614 -149523.1848 298.9842 -183758.3462 -149425.5246 298.6774 193.0136 224.2070 556469.7602 0.0427 0.0872 PRESSURE: 365600 4.68054 -154.575 196.42 -154.574 -28.5253 -32.9542 196.42 -32.9555 6.16906 GPRESSURE: 365600 -3.32421 -88.2062 114.425 -133.62 54.5891 -69.0861 273.284 -104.951 35.6332 PRESSAVG: 365600 -67.2336 26.9328 -22.3803 26.9328 42.8668 -3.82589 -22.3804 -3.82597 9.6971 GPRESSAVG: 365600 -68.2264 27.2661 -23.9536 26.2606 43.0549 -5.47396 -21.0528 -0.971004 10.491 TIMING: 365600 CPU: 1095.13, 0.00297237/step Wall: 1095.13, 0.00297237/step, 3.82643 hours remaining, 206.238281 MB of memory in use. ENERGY: 365600 762.0690 2110.7467 1949.6494 113.5420 -206922.0958 18016.5690 0.0000 0.0000 34300.9553 -149668.5645 299.5588 -183969.5198 -149575.5393 298.4515 -5.8919 28.9660 557336.5928 -4.8899 -4.8935 PRESSURE: 365800 -189.399 67.1864 3.56617 67.1846 149.311 32.7295 3.56811 32.7289 110.709 GPRESSURE: 365800 -147.339 -36.0829 -4.76735 142.879 150.638 65.3723 21.7102 74.9573 154.512 PRESSAVG: 365800 17.6385 53.0741 2.16238 53.074 77.0801 93.908 2.1624 93.908 -3.57665 GPRESSAVG: 365800 18.7863 52.1001 3.25332 52.7006 75.9192 94.3004 1.54753 94.0328 -3.375 TIMING: 365800 CPU: 1095.73, 0.0029828/step Wall: 1095.73, 0.0029828/step, 3.83969 hours remaining, 206.238281 MB of memory in use. ENERGY: 365800 729.7333 2078.5103 1946.0683 114.1058 -206555.7049 17872.3847 0.0000 0.0000 34180.0677 -149634.8347 298.5030 -183814.9024 -149540.6011 298.3633 23.5406 52.6037 556761.5783 30.3806 30.4435 PRESSURE: 366000 -164.636 36.0504 167.265 36.0512 -69.7609 206.476 167.265 206.478 -113.546 GPRESSURE: 366000 -178.953 66.0123 120.024 35.4522 -3.8528 172.858 233.932 179.644 -65.0103 PRESSAVG: 366000 -18.4552 -27.5632 -1.63947 -27.5631 26.8281 58.0854 -1.63949 58.0855 14.5051 GPRESSAVG: 366000 -19.4624 -30.1391 -2.14306 -26.1739 28.8032 58.3313 -1.28736 56.0914 13.4184 TIMING: 366000 CPU: 1096.33, 0.00301436/step Wall: 1096.33, 0.00301436/step, 3.88015 hours remaining, 206.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 366000 746.6048 2026.8646 1954.5197 116.9664 -206274.8854 17520.9419 0.0000 0.0000 34258.4573 -149650.5309 299.1876 -183908.9881 -149555.1701 297.6748 -115.9811 -82.6053 557273.4148 7.6260 7.5864 PRESSURE: 366200 -232.532 28.4929 54.9698 28.4914 -177.029 -8.55553 54.9694 -8.5554 84.6337 GPRESSURE: 366200 -188.579 23.9416 31.7355 10.2485 -153.191 38.2379 51.0908 3.84531 112.588 PRESSAVG: 366200 -50.4273 31.7043 14.6727 31.7044 4.19004 5.50494 14.6727 5.50498 50.1349 GPRESSAVG: 366200 -50.5562 33.6057 13.5301 30.5647 2.83075 5.11064 15.6168 7.16822 51.3616 TIMING: 366200 CPU: 1096.94, 0.00303219/step Wall: 1096.94, 0.00303219/step, 3.90294 hours remaining, 206.238281 MB of memory in use. ENERGY: 366200 753.2435 2085.6672 1917.7349 120.4673 -205907.4535 17542.0720 0.0000 0.0000 33930.0988 -149558.1699 296.3200 -183488.2687 -149457.5337 298.6545 -108.3092 -76.3941 558574.9980 1.2992 1.2120 PRESSURE: 366400 -92.6947 26.9795 161.912 26.979 -316.8 -85.4895 161.912 -85.4888 -33.2267 GPRESSURE: 366400 -63.6029 -41.5895 144.638 103.344 -279.566 -6.79801 141.16 -214.27 -1.67493 PRESSAVG: 366400 -32.7561 67.2696 30.5118 67.2695 -58.1825 0.473607 30.5118 0.473534 62.4889 GPRESSAVG: 366400 -32.5706 65.3194 32.8827 68.5957 -58.4331 0.401105 31.3173 -1.04519 62.0295 TIMING: 366400 CPU: 1097.54, 0.00298915/step Wall: 1097.54, 0.00298915/step, 3.84737 hours remaining, 206.238281 MB of memory in use. ENERGY: 366400 708.5864 2119.3266 1915.6574 114.6491 -206070.4397 17611.1745 0.0000 0.0000 34174.2336 -149426.8121 298.4521 -183601.0457 -149329.0707 298.1198 -147.5740 -114.9479 558685.3810 -9.4832 -9.6581 PRESSURE: 366600 177.926 150.902 -13.0972 150.902 -52.5635 -41.5673 -13.0976 -41.5673 66.7768 GPRESSURE: 366600 169.207 135.23 -71.2549 131.568 -10.8471 0.839615 37.8756 -103.02 114.402 PRESSAVG: 366600 36.2861 4.0755 2.52256 4.07541 -27.9801 -1.15013 2.52256 -1.15018 -5.28621 GPRESSAVG: 366600 36.039 4.99375 0.475676 3.03532 -27.359 -0.443435 1.52437 -1.08366 -6.19269 TIMING: 366600 CPU: 1098.13, 0.00298478/step Wall: 1098.13, 0.00298478/step, 3.84157 hours remaining, 206.238281 MB of memory in use. ENERGY: 366600 730.7210 2103.0485 1934.8019 111.2776 -206529.6258 18063.2569 0.0000 0.0000 34193.7550 -149392.7649 298.6226 -183586.5199 -149295.5156 298.5619 64.0465 90.9207 558390.2401 1.0066 0.8291 PRESSURE: 366800 8.54036 24.7649 -55.5382 24.7638 -186.94 33.3979 -55.5392 33.3969 -337.639 GPRESSURE: 366800 19.5535 16.2659 -47.504 39.7651 -104.382 152.47 -122.422 -58.1398 -332.196 PRESSAVG: 366800 72.6529 35.398 37.4671 35.3979 -24.7137 -23.6775 37.467 -23.6775 -24.5773 GPRESSAVG: 366800 72.1388 35.7496 37.4432 36.6354 -23.9946 -23.3779 36.5121 -24.6454 -24.6583 TIMING: 366800 CPU: 1098.73, 0.002984/step Wall: 1098.73, 0.002984/step, 3.84041 hours remaining, 206.238281 MB of memory in use. ENERGY: 366800 766.0502 2077.0567 1944.0346 113.8000 -206014.9442 17620.4391 0.0000 0.0000 34107.8398 -149385.7238 297.8722 -183493.5636 -149298.5764 298.6379 -172.0130 -139.0080 558413.2052 7.7873 7.8286 PRESSURE: 367000 71.3805 28.3178 22.2944 28.3191 -203.226 66.6907 22.2943 66.6897 26.8015 GPRESSURE: 367000 83.1614 95.8401 118.664 -39.0317 -79.2206 113.021 26.8089 65.4238 -18.3376 PRESSAVG: 367000 80.0479 10.5678 34.804 10.5678 -61.9517 23.4378 34.804 23.4378 -19.0033 GPRESSAVG: 367000 80.0891 10.0807 34.9528 10.9606 -62.3088 20.5078 36.3678 24.1746 -18.6942 TIMING: 367000 CPU: 1099.33, 0.00298434/step Wall: 1099.33, 0.00298434/step, 3.84068 hours remaining, 206.238281 MB of memory in use. ENERGY: 367000 733.3108 2110.4144 1936.4718 106.5969 -206576.4852 17878.7938 0.0000 0.0000 34478.7568 -149332.1408 301.1116 -183810.8975 -149243.4221 298.8272 -35.0147 -4.7989 557480.5070 -0.3024 -0.3046 PRESSURE: 367200 -169.043 -82.8968 153.754 -82.8972 -13.406 54.6492 153.754 54.6484 25.825 GPRESSURE: 367200 -164.212 -99.7141 119.495 31.769 7.51438 86.2344 140.535 -46.7192 90.1433 PRESSAVG: 367200 -6.42076 -6.12878 20.9019 -6.12885 -58.6376 3.16179 20.902 3.16177 44.9424 GPRESSAVG: 367200 -6.22914 -3.74891 21.5676 -8.61903 -59.6848 6.12915 22.1066 2.58368 45.9769 TIMING: 367200 CPU: 1099.92, 0.00298816/step Wall: 1099.92, 0.00298816/step, 3.84543 hours remaining, 206.238281 MB of memory in use. ENERGY: 367200 736.2007 2121.7378 1937.7595 113.3908 -206166.4985 17742.1281 0.0000 0.0000 34167.9409 -149347.3407 298.3971 -183515.2816 -149253.4151 299.3565 -52.2079 -22.1847 557925.5719 -6.7053 -6.6457 PRESSURE: 367400 184.133 -28.5034 -168.2 -28.5034 -150.51 195.08 -168.2 195.078 240.759 GPRESSURE: 367400 167.808 -32.0178 -154.394 -42.7208 -13.8122 184.335 -157.452 160.93 222.833 PRESSAVG: 367400 22.5368 -11.9739 12.9485 -11.9739 -60.2616 32.2312 12.9484 32.2313 35.2246 GPRESSAVG: 367400 21.2748 -14.0395 12.607 -10.6321 -58.6082 30.5385 13.0026 34.2734 35.2247 TIMING: 367400 CPU: 1100.52, 0.00300043/step Wall: 1100.52, 0.00300043/step, 3.86106 hours remaining, 206.238281 MB of memory in use. ENERGY: 367400 744.0549 2061.8789 1938.9895 113.8039 -206806.6681 18116.1010 0.0000 0.0000 34421.2199 -149410.6200 300.6091 -183831.8399 -149317.1541 298.9907 91.4607 125.6095 557219.2357 -0.8334 -0.7029 PRESSURE: 367600 -132.453 -4.62895 -134.761 -4.62813 -204.751 96.3309 -134.761 96.3317 -138.939 GPRESSURE: 367600 -74.6853 33.8239 -155.463 0.856287 -167.178 43.4296 -93.1151 132.686 -141.871 PRESSAVG: 367600 13.731 -41.9056 -26.7518 -41.9056 -89.9196 37.4388 -26.7518 37.4387 60.1481 GPRESSAVG: 367600 14.2445 -40.4512 -25.7644 -41.3014 -89.7173 36.5445 -27.9325 35.463 59.7223 TIMING: 367600 CPU: 1101.13, 0.00301517/step Wall: 1101.13, 0.00301517/step, 3.87986 hours remaining, 206.238281 MB of memory in use. ENERGY: 367600 736.7251 2104.6407 1936.3211 103.8540 -206073.4170 17475.6134 0.0000 0.0000 34374.7810 -149341.4817 300.2035 -183716.2627 -149240.2335 299.2869 -158.7144 -127.9114 557627.6936 -5.3469 -5.2502 PRESSURE: 367800 23.2688 65.9502 -43.5228 65.9499 116.1 88.7193 -43.5203 88.7173 333.367 GPRESSURE: 367800 36.0679 83.9924 10.6028 86.9492 158.1 185.771 -17.7408 88.2555 369.05 PRESSAVG: 367800 32.0513 -54.0976 -53.206 -54.0976 -7.83856 20.644 -53.2059 20.644 -15.0826 GPRESSAVG: 367800 32.6462 -57.0264 -54.092 -54.4082 -8.64342 23.865 -51.7496 19.9808 -15.0132 TIMING: 367800 CPU: 1101.72, 0.00298213/step Wall: 1101.72, 0.00298213/step, 3.83717 hours remaining, 206.238281 MB of memory in use. ENERGY: 367800 747.1920 2121.7142 1991.5326 109.7685 -206533.3313 17981.8926 0.0000 0.0000 34133.8804 -149447.3510 298.0997 -183581.2315 -149343.8961 299.0585 157.5786 187.7391 554874.2513 3.0434 2.9965 PRESSURE: 368000 25.528 134.698 20.4251 134.697 -75.5684 -7.58733 20.4255 -7.58677 230.382 GPRESSURE: 368000 79.7918 185.975 -5.87684 113.089 -44.7582 -58.61 24.7315 -96.8536 244.445 PRESSAVG: 368000 19.8186 -24.1313 6.19677 -24.1313 36.3346 6.85129 6.19668 6.85117 -18.1415 GPRESSAVG: 368000 19.0727 -22.498 8.62111 -23.3798 37.312 7.17777 2.94974 7.3373 -18.2596 TIMING: 368000 CPU: 1102.32, 0.00297759/step Wall: 1102.32, 0.00297759/step, 3.83117 hours remaining, 206.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 368000 750.5447 2014.8811 1963.2268 111.7679 -206564.2978 17871.9406 0.0000 0.0000 34388.9591 -149462.9777 300.3273 -183851.9367 -149370.0925 298.2986 60.1139 93.1595 555637.7601 12.6705 12.7084 PRESSURE: 368200 13.4913 -97.4798 145.609 -97.48 60.8056 17.8864 145.61 17.8847 -118.553 GPRESSURE: 368200 55.9992 -138.739 146.474 -160.144 65.1986 43.6704 159.556 3.04824 -75.653 PRESSAVG: 368200 -7.26717 -40.3091 65.9988 -40.309 88.542 -39.8595 65.9988 -39.8595 -58.5689 GPRESSAVG: 368200 -7.1267 -38.4575 65.5647 -43.1008 88.0584 -41.8823 68.4231 -37.4867 -58.2593 TIMING: 368200 CPU: 1102.92, 0.00299722/step Wall: 1102.92, 0.00299722/step, 3.85626 hours remaining, 206.238281 MB of memory in use. ENERGY: 368200 742.4052 2081.4000 1940.2881 109.3461 -206476.0195 17697.4647 0.0000 0.0000 34343.0634 -149562.0520 299.9265 -183905.1154 -149463.3256 299.3366 -14.7519 15.1816 556345.5514 7.5686 7.5575 LDB: ============= START OF LOAD BALANCING ============== 1106.43 LDB: ============== END OF LOAD BALANCING =============== 1106.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1106.44 LDB: ============= START OF LOAD BALANCING ============== 1106.74 LDB: Largest compute 4773 load 0.031910 is 27.1% of average load 0.117885 LDB: Average compute 0.001718 is 1.5% of average load 0.117885 LDB: TIME 1106.74 LOAD: AVG 0.117885 MAX 0.21409 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.23 MB LDB: TIME 1106.74 LOAD: AVG 0.117885 MAX 0.21409 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.234 MB LDB: TIME 1106.74 LOAD: AVG 0.117885 MAX 0.21409 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.234 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1106.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1106.75 PRESSURE: 368400 -20.7803 80.8141 90.2386 80.815 -232.51 77.2917 90.239 77.2919 -77.7732 GPRESSURE: 368400 -90.6377 91.5054 84.9936 74.5511 -143.608 41.2529 75.8526 114.114 4.26928 PRESSAVG: 368400 -52.6283 14.9082 38.8708 14.9082 24.1444 16.3732 38.8708 16.3732 -45.9199 GPRESSAVG: 368400 -53.3843 12.9775 39.3148 16.1978 24.7165 17.1744 34.9645 15.2222 -45.7044 TIMING: 368400 CPU: 1103.53, 0.00306728/step Wall: 1103.53, 0.00306728/step, 3.94623 hours remaining, 206.035156 MB of memory in use. ENERGY: 368400 723.6604 2111.8966 1939.3777 111.3185 -206756.3771 17848.7048 0.0000 0.0000 34440.9133 -149580.5059 300.7811 -184021.4192 -149486.0928 298.7961 -110.3544 -76.6587 558294.0792 -24.8013 -24.7907 PRESSURE: 368600 -86.1478 -55.9354 130.833 -55.9368 -164.549 -55.7062 130.834 -55.7067 -124.06 GPRESSURE: 368600 -53.6043 -93.5587 152.4 -52.5706 -113.663 -92.6885 196.156 -36.9873 -115.566 PRESSAVG: 368600 -36.5296 -63.8513 74.9787 -63.8514 19.3513 -20.3591 74.9788 -20.3592 28.3052 GPRESSAVG: 368600 -35.4364 -62.8794 72.1723 -63.471 19.5015 -19.8427 78.2309 -20.0901 26.8336 TIMING: 368600 CPU: 1104.13, 0.00301469/step Wall: 1104.13, 0.00301469/step, 3.8784 hours remaining, 206.105469 MB of memory in use. ENERGY: 368600 698.4600 2077.1729 1955.9852 115.9862 -206539.4607 17870.1540 0.0000 0.0000 34259.5752 -149562.1274 299.1974 -183821.7025 -149459.9326 297.8080 -124.9187 -94.2778 558124.7344 3.7090 3.6329 PRESSURE: 368800 224.142 46.7026 152.785 46.7017 342.557 -27.9036 152.785 -27.9023 305.395 GPRESSURE: 368800 210.719 26.2606 171.095 67.5761 420.334 37.1676 20.363 -5.77995 327.997 PRESSAVG: 368800 -22.8999 15.7525 36.6542 15.7523 -14.836 13.8966 36.6542 13.8967 33.7526 GPRESSAVG: 368800 -22.4021 15.3474 37.4735 14.4577 -15.7235 15.7802 34.8652 14.5757 34.68 TIMING: 368800 CPU: 1104.73, 0.00299/step Wall: 1104.73, 0.00299/step, 3.84647 hours remaining, 206.105469 MB of memory in use. ENERGY: 368800 721.1267 2072.5600 1956.0280 127.5318 -206913.8333 18313.8510 0.0000 0.0000 33874.0064 -149848.7294 295.8301 -183722.7358 -149751.9955 297.6888 290.6984 319.6835 556287.4184 -1.3278 -1.1485 PRESSURE: 369000 68.3641 -100.23 23.8981 -100.229 212.362 -45.5144 23.8984 -45.5131 213.603 GPRESSURE: 369000 73.5475 -89.9878 -29.6541 -102.121 280.395 -115.512 11.0884 -52.7093 245.352 PRESSAVG: 369000 -19.3445 -18.1043 46.6546 -18.1044 18.1928 -9.61105 46.6545 -9.61112 -44.8799 GPRESSAVG: 369000 -20.2284 -17.5689 47.446 -16.6783 18.0915 -11.8946 47.9126 -8.24816 -43.9411 TIMING: 369000 CPU: 1105.33, 0.00301106/step Wall: 1105.33, 0.00301106/step, 3.8734 hours remaining, 206.105469 MB of memory in use. ENERGY: 369000 723.2404 2132.6006 1965.5588 116.8866 -206919.5291 18147.8654 0.0000 0.0000 34132.1263 -149701.2511 298.0843 -183833.3774 -149611.7895 297.2931 164.7763 199.7647 557802.7351 -15.3439 -15.3593 PRESSURE: 369200 -11.6508 -20.0375 -29.8444 -20.0374 166.23 -6.04016 -29.8458 -6.03895 197.927 GPRESSURE: 369200 14.7767 -7.55759 -56.4035 42.5455 222.923 -32.4014 93.081 28.7706 205.915 PRESSAVG: 369200 -7.25689 5.04154 34.9606 5.04148 59.0468 -15.6825 34.9605 -15.6825 -18.3729 GPRESSAVG: 369200 -6.45909 3.9553 32.5286 5.68978 58.917 -15.0889 34.7815 -17.6573 -19.5533 TIMING: 369200 CPU: 1105.94, 0.00301221/step Wall: 1105.94, 0.00301221/step, 3.8747 hours remaining, 206.105469 MB of memory in use. ENERGY: 369200 736.9526 2085.9678 1944.0242 113.9893 -206667.3839 18115.8562 0.0000 0.0000 34033.9158 -149636.6781 297.2267 -183670.5939 -149543.9864 298.3203 117.5020 147.8715 557913.7961 11.1390 10.9682 PRESSURE: 369400 67.9297 -176.327 -53.592 -176.327 -136.071 31.5812 -53.5912 31.5844 5.60611 GPRESSURE: 369400 137.694 -204.33 -85.3542 -129.493 -84.7566 -41.6568 -34.4537 20.959 -17.0721 PRESSAVG: 369400 21.2261 -28.3672 36.4338 -28.3672 26.9311 30.0563 36.4338 30.0564 -53.3837 GPRESSAVG: 369400 21.3962 -27.4858 38.1499 -28.4014 27.0687 30.4813 35.7202 29.3878 -53.5241 TIMING: 369400 CPU: 1106.54, 0.00299258/step Wall: 1106.54, 0.00299258/step, 3.84929 hours remaining, 206.105469 MB of memory in use. ENERGY: 369400 751.1084 2082.1916 1924.6471 124.0555 -206438.3303 17872.9722 0.0000 0.0000 34124.0695 -149559.2861 298.0140 -183683.3555 -149461.9384 297.9273 -20.8451 11.9551 558253.9859 -1.7422 -1.6864 PRESSURE: 369600 -78.6497 155.483 -89.0135 155.483 187.208 -138.472 -89.0123 -138.472 -127.162 GPRESSURE: 369600 -95.9597 91.1766 -53.4664 181.597 168.925 -133.946 -219.587 -126.254 0.21632 PRESSAVG: 369600 -50.5271 37.0135 0.733352 37.0135 26.9186 21.3641 0.733278 21.3642 31.8547 GPRESSAVG: 369600 -49.6441 37.7064 -0.841242 36.6492 26.0409 21.2888 1.07437 20.4488 32.0381 TIMING: 369600 CPU: 1107.13, 0.00297183/step Wall: 1107.13, 0.00297183/step, 3.82244 hours remaining, 206.105469 MB of memory in use. ENERGY: 369600 745.5254 2101.9293 1938.2119 104.8647 -206416.5861 17728.9033 0.0000 0.0000 34340.6020 -149456.5493 299.9050 -183797.1514 -149358.9274 298.5318 -6.2014 24.3938 555878.6129 2.7487 2.8116 PRESSURE: 369800 -165.983 -9.68077 59.7935 -9.67923 -196.176 47.529 59.7932 47.5292 -246.95 GPRESSURE: 369800 -114.033 12.4712 71.6481 49.6715 -134.225 50.0859 70.3925 19.8404 -263.632 PRESSAVG: 369800 17.1729 52.597 53.1708 52.5969 80.0233 15.2147 53.1709 15.2148 -124.638 GPRESSAVG: 369800 16.7132 51.266 55.4549 52.8166 80.3701 13.2417 54.2663 17.03 -124.767 TIMING: 369800 CPU: 1107.73, 0.00298187/step Wall: 1107.73, 0.00298187/step, 3.83518 hours remaining, 206.105469 MB of memory in use. ENERGY: 369800 745.3030 2100.6562 1943.7061 106.9850 -206087.4754 17349.2684 0.0000 0.0000 34380.6398 -149460.9168 300.2547 -183841.5566 -149364.6703 298.7798 -203.0362 -170.6299 555484.6338 -9.1474 -9.2278 PRESSURE: 370000 -246.953 -78.276 -3.74969 -78.2765 122.904 -29.2397 -3.74922 -29.239 -318.265 GPRESSURE: 370000 -276.681 -41.9037 -9.38047 -97.047 171.754 -3.51966 -59.78 28.184 -239.63 PRESSAVG: 370000 -15.0408 -3.74202 -15.2526 -3.74214 15.7239 29.5723 -15.2526 29.5724 -3.21979 GPRESSAVG: 370000 -15.6222 -4.39197 -16.0032 -2.69785 15.3999 31.3734 -17.7711 27.7337 -3.06541 TIMING: 370000 CPU: 1108.33, 0.00300372/step Wall: 1108.33, 0.00300372/step, 3.86312 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: 370000 723.4473 2085.3172 1961.5078 109.3738 -206082.7992 17566.5274 0.0000 0.0000 34097.4042 -149539.2214 297.7811 -183636.6256 -149440.3973 298.4899 -147.4380 -114.8524 556489.0916 -0.8456 -1.0959 PRESSURE: 370200 -101.554 -95.9436 -93.2541 -95.9439 46.8757 -129.215 -93.2546 -129.217 -1.02296 GPRESSURE: 370200 -34.8838 -35.699 -84.8054 -141.19 14.1044 -164.404 -38.6012 -155.319 56.1398 PRESSAVG: 370200 -58.912 -8.83753 50.7179 -8.83754 68.3114 -43.4799 50.718 -43.4799 3.70324 GPRESSAVG: 370200 -58.9423 -6.37297 51.3185 -10.7012 68.326 -45.4656 53.0526 -42.1951 4.00608 TIMING: 370200 CPU: 1108.93, 0.00301582/step Wall: 1108.93, 0.00301582/step, 3.87852 hours remaining, 206.105469 MB of memory in use. ENERGY: 370200 761.9906 2085.0154 1925.1350 111.3664 -206386.4240 17752.3477 0.0000 0.0000 34132.4756 -149618.0935 298.0874 -183750.5690 -149516.8771 298.4895 -18.5671 11.7868 555884.0533 4.3675 4.4633 PRESSURE: 370400 36.7599 -64.8786 63.0469 -64.8795 180.948 5.65782 63.0459 5.65815 -226.063 GPRESSURE: 370400 62.0561 -99.6043 2.41049 -16.314 132.95 66.2375 62.4938 35.4719 -100.565 PRESSAVG: 370400 -20.5571 33.5155 -8.47631 33.5155 4.50691 -17.8384 -8.47627 -17.8383 39.2948 GPRESSAVG: 370400 -19.2309 33.9149 -7.47849 32.8671 3.50797 -16.6588 -9.41783 -18.8123 38.8868 TIMING: 370400 CPU: 1109.53, 0.00301656/step Wall: 1109.53, 0.00301656/step, 3.87929 hours remaining, 206.105469 MB of memory in use. ENERGY: 370400 720.3052 2098.6593 1923.9035 111.7209 -206273.6701 17736.4124 0.0000 0.0000 34074.4769 -149608.1919 297.5809 -183682.6688 -149511.3600 298.1589 -2.7849 31.4804 556293.2930 7.7482 7.7213 PRESSURE: 370600 -203.131 -22.7585 -0.409987 -22.7581 -242.203 67.2364 -0.410517 67.2358 -53.9176 GPRESSURE: 370600 -138.804 -47.182 -86.945 14.9777 -164.765 89.3379 17.3777 9.94443 -111.594 PRESSAVG: 370600 -22.7113 -1.73702 54.9223 -1.73705 -6.9211 -28.7573 54.9224 -28.7573 18.9522 GPRESSAVG: 370600 -23.6301 -2.96265 52.7774 -0.685154 -5.37299 -28.5737 53.2828 -28.2751 18.4828 TIMING: 370600 CPU: 1110.13, 0.0029964/step Wall: 1110.13, 0.0029964/step, 3.8532 hours remaining, 206.105469 MB of memory in use. ENERGY: 370600 753.2446 2059.9062 1974.5952 110.8955 -205876.3889 17571.3602 0.0000 0.0000 33798.3943 -149607.9929 295.1698 -183406.3872 -149510.6574 297.9440 -166.4172 -138.3879 556613.4584 -3.5600 -3.5068 PRESSURE: 370800 -1.4371 -46.2347 112.599 -46.2332 -163.29 -99.9855 112.599 -99.9857 10.4261 GPRESSURE: 370800 6.69387 -26.1063 -10.1735 -79.8829 -101.238 -61.8788 89.6955 -83.273 29.7681 PRESSAVG: 370800 -11.7385 -56.0863 35.037 -56.0863 -7.602 -28.2419 35.037 -28.242 -2.54671 GPRESSAVG: 370800 -11.3397 -57.3927 35.8543 -56.6745 -7.05972 -27.9352 37.5518 -30.1187 -3.15658 TIMING: 370800 CPU: 1110.73, 0.00300419/step Wall: 1110.73, 0.00300419/step, 3.86306 hours remaining, 206.105469 MB of memory in use. ENERGY: 370800 715.0714 2083.7432 1980.3231 114.7625 -205957.4283 17635.0253 0.0000 0.0000 34005.1065 -149423.3964 296.9751 -183428.5028 -149333.4338 298.1442 -51.4335 -21.5920 556953.6014 -7.2957 -7.1853 PRESSURE: 371000 -66.5076 20.9209 -19.5337 20.9212 262.709 -88.297 -19.5338 -88.2969 -54.1591 GPRESSURE: 371000 -81.9885 15.2131 92.2663 -15.9825 285.589 -115.595 -162.748 -66.8385 18.4676 PRESSAVG: 371000 -30.5908 -44.7606 -3.40906 -44.7608 69.1111 -2.59946 -3.40904 -2.59951 -19.3817 GPRESSAVG: 371000 -30.3423 -42.463 -4.95941 -43.9194 68.1886 -3.19445 -2.67214 -0.697634 -18.6787 TIMING: 371000 CPU: 1111.33, 0.0030008/step Wall: 1111.33, 0.0030008/step, 3.85853 hours remaining, 206.105469 MB of memory in use. ENERGY: 371000 728.4743 2094.5382 1986.0625 102.7493 -206299.4401 17724.4602 0.0000 0.0000 34230.5703 -149432.5853 298.9441 -183663.1556 -149330.6062 298.8920 47.3475 74.0226 554283.8727 6.3795 6.3892 PRESSURE: 371200 -156.771 41.0132 -118.497 41.0143 -58.9409 120.016 -118.498 120.016 -86.9652 GPRESSURE: 371200 -96.3943 27.5943 -112.655 6.67833 -53.7811 80.6715 -149.716 117.012 -57.8326 PRESSAVG: 371200 31.2229 2.31398 -46.9743 2.31402 -1.37595 46.9893 -46.9743 46.9892 5.74855 GPRESSAVG: 371200 29.6862 0.55836 -45.9378 2.6138 -1.24564 48.2361 -48.5617 45.6135 6.45586 TIMING: 371200 CPU: 1111.93, 0.00298873/step Wall: 1111.93, 0.00298873/step, 3.84285 hours remaining, 206.105469 MB of memory in use. ENERGY: 371200 747.2853 2123.1168 1961.0825 117.5959 -206074.9048 17631.1443 0.0000 0.0000 34127.3641 -149367.3159 298.0428 -183494.6799 -149267.6417 299.1647 -100.8925 -69.3360 555846.8065 11.8652 11.6321 PRESSURE: 371400 56.5222 -115.518 -92.9685 -115.518 -156.492 63.3946 -92.9668 63.3968 -241.242 GPRESSURE: 371400 73.924 -96.4581 -109.861 -32.7062 -64.202 163.149 -20.6242 64.8442 -248.707 PRESSAVG: 371400 36.5219 0.606848 -67.998 0.606891 -19.4897 27.6302 -67.9978 27.6302 11.7108 GPRESSAVG: 371400 37.3651 -0.0203636 -68.0295 0.202931 -19.1961 27.6894 -67.5196 27.6903 10.8008 TIMING: 371400 CPU: 1112.53, 0.00298563/step Wall: 1112.53, 0.00298563/step, 3.83869 hours remaining, 206.105469 MB of memory in use. ENERGY: 371400 771.9028 2065.5635 1977.8909 105.4186 -206342.6854 17755.5380 0.0000 0.0000 34290.1895 -149376.1821 299.4648 -183666.3715 -149284.3673 298.8549 -113.7373 -79.6616 557514.3444 9.5810 9.6566 PRESSURE: 371600 -8.40546 -91.9502 -167.734 -91.9499 72.1342 -44.1579 -167.735 -44.1593 -77.2449 GPRESSURE: 371600 49.3352 -99.3248 -186.787 -64.7139 116.07 -43.7782 -171.812 -19.7619 -92.9619 PRESSAVG: 371600 23.7629 -22.7153 -51.0027 -22.7152 -25.6676 61.5158 -51.0028 61.5158 26.9692 GPRESSAVG: 371600 23.5472 -20.7786 -49.586 -22.2772 -25.6851 60.5736 -51.8239 60.7172 26.7789 TIMING: 371600 CPU: 1113.13, 0.00299721/step Wall: 1113.13, 0.00299721/step, 3.85341 hours remaining, 206.105469 MB of memory in use. ENERGY: 371600 684.6631 2125.8702 1927.9396 106.8133 -206293.2202 17821.5509 0.0000 0.0000 34107.1278 -149519.2553 297.8660 -183626.3831 -149428.5018 299.0249 -4.5054 24.1476 556258.1872 8.3548 8.2137 PRESSURE: 371800 -59.9279 -124.291 42.084 -124.292 31.4351 139.356 42.0848 139.355 -35.4249 GPRESSURE: 371800 -27.8962 -177.255 36.2326 -115.673 28.5784 74.6654 21.7147 192.396 28.909 PRESSAVG: 371800 -85.3553 -17.8092 2.31674 -17.8092 62.0407 45.0545 2.31674 45.0546 25.9941 GPRESSAVG: 371800 -85.351 -18.6568 2.4588 -17.7761 61.5563 46.7898 0.1168 44.9885 26.0894 TIMING: 371800 CPU: 1113.73, 0.00302229/step Wall: 1113.73, 0.00302229/step, 3.88549 hours remaining, 206.105469 MB of memory in use. ENERGY: 371800 723.5402 2064.6279 1927.8696 115.2578 -206445.9694 17789.4392 0.0000 0.0000 34141.9694 -149683.2653 298.1703 -183825.2347 -149584.7603 298.3733 -21.3059 9.8637 556819.9564 0.8932 0.7649 PRESSURE: 372000 -61.3231 143.949 39.0898 143.95 -107.978 100.175 39.0892 100.177 -459.866 GPRESSURE: 372000 -88.2537 135.666 25.2671 180.476 -48.0479 42.9679 101.785 79.4904 -403.64 PRESSAVG: 372000 -100.955 18.2086 -10.5112 18.2087 33.5795 38.3183 -10.5112 38.3183 47.3072 GPRESSAVG: 372000 -101.613 16.319 -11.7323 16.2974 33.9714 37.0802 -6.32384 39.0762 47.3632 TIMING: 372000 CPU: 1114.33, 0.00300463/step Wall: 1114.33, 0.00300463/step, 3.86262 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: 372000 756.0700 2107.6931 1924.9245 104.6452 -206001.3837 17559.3489 0.0000 0.0000 34069.0246 -149479.6773 297.5333 -183548.7019 -149389.7925 298.2694 -209.7223 -179.9805 557472.3333 -6.6895 -6.7594 PRESSURE: 372200 -75.8665 27.3982 37.0739 27.3971 87.5229 117.429 37.0726 117.429 3.29653 GPRESSURE: 372200 -38.6894 55.7452 87.2421 -60.0028 104.453 35.4376 -84.0743 104.704 45.0962 PRESSAVG: 372200 -40.5144 -22.973 40.921 -22.9729 65.0572 -5.31617 40.9211 -5.31619 -30.7401 GPRESSAVG: 372200 -40.1732 -22.2574 41.8096 -22.0103 65.4666 -4.47298 38.9246 -4.62715 -31.0882 TIMING: 372200 CPU: 1114.93, 0.00300433/step Wall: 1114.93, 0.00300433/step, 3.86206 hours remaining, 206.105469 MB of memory in use. ENERGY: 372200 744.0502 2044.7707 1944.0096 124.3082 -206548.2753 17876.8781 0.0000 0.0000 34259.2221 -149555.0365 299.1943 -183814.2586 -149458.1040 298.0026 4.9843 36.9533 557323.3434 -2.0658 -1.9316 LDB: ============= START OF LOAD BALANCING ============== 1118.45 LDB: ============== END OF LOAD BALANCING =============== 1118.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1118.45 LDB: ============= START OF LOAD BALANCING ============== 1118.75 LDB: Largest compute 4773 load 0.029067 is 24.7% of average load 0.117849 LDB: Average compute 0.001721 is 1.5% of average load 0.117849 LDB: TIME 1118.76 LOAD: AVG 0.117849 MAX 0.212315 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.445 MB LDB: TIME 1118.76 LOAD: AVG 0.117849 MAX 0.212315 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.445 MB LDB: TIME 1118.76 LOAD: AVG 0.117849 MAX 0.212315 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.445 MB LDB: ============== END OF LOAD BALANCING =============== 1118.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1118.76 PRESSURE: 372400 -56.4574 84.0877 -58.7673 84.0895 285.486 224.75 -58.7678 224.749 -169.045 GPRESSURE: 372400 -25.731 109.602 -73.9428 46.3219 320.907 149.218 -57.2471 168.739 -134.311 PRESSAVG: 372400 15.4555 59.0118 42.7792 59.0119 69.512 29.3873 42.779 29.3873 -63.0222 GPRESSAVG: 372400 15.6985 59.4218 40.8881 59.3049 69.2669 29.5364 43.2764 26.9279 -62.743 TIMING: 372400 CPU: 1115.55, 0.00305331/step Wall: 1115.55, 0.00305331/step, 3.92486 hours remaining, 207.117188 MB of memory in use. ENERGY: 372400 708.6144 2078.3534 1946.0065 109.1051 -206226.9223 17846.9523 0.0000 0.0000 34048.4747 -149489.4158 297.3538 -183537.8905 -149400.2818 298.4551 19.9946 53.6218 558656.8537 7.3151 7.4074 PRESSURE: 372600 215.166 38.9247 -262.278 38.9243 42.514 -71.5944 -262.278 -71.5945 57.6117 GPRESSURE: 372600 205.835 -2.42844 -245.4 51.2857 85.745 -14.6016 -297.993 -29.1877 120.671 PRESSAVG: 372600 17.5714 -18.1267 -12.9238 -18.1266 -73.7534 50.0377 -12.9237 50.0378 54.3965 GPRESSAVG: 372600 17.0269 -16.2954 -11.7281 -18.8606 -73.163 49.2808 -13.0746 50.8105 54.3321 TIMING: 372600 CPU: 1116.15, 0.00300956/step Wall: 1116.15, 0.00300956/step, 3.86845 hours remaining, 207.320312 MB of memory in use. ENERGY: 372600 730.9921 2045.9850 1954.5373 122.7506 -206725.6730 18134.8691 0.0000 0.0000 34268.1513 -149468.3877 299.2723 -183736.5390 -149377.8608 298.4103 105.0972 137.4170 557961.0641 -0.5952 -0.6013 PRESSURE: 372800 -397.215 -37.5526 -16.409 -37.5533 -165.198 -4.94578 -16.4086 -4.94429 -229.963 GPRESSURE: 372800 -410.18 30.4144 -17.283 -112.449 -98.4072 -33.246 0.998996 -47.7168 -191.151 PRESSAVG: 372800 -28.4665 22.863 -33.3557 22.8629 21.0037 5.32779 -33.3557 5.32792 0.812733 GPRESSAVG: 372800 -26.9515 24.4131 -35.1193 21.6234 19.5836 4.78287 -32.3238 5.90351 0.888833 TIMING: 372800 CPU: 1116.75, 0.0029962/step Wall: 1116.75, 0.0029962/step, 3.85111 hours remaining, 207.320312 MB of memory in use. ENERGY: 372800 759.6466 2049.7737 1965.7031 117.8614 -206284.4763 17558.2377 0.0000 0.0000 34364.9920 -149468.2618 300.1180 -183833.2538 -149374.0142 298.8201 -264.1256 -233.2461 555869.9945 -2.2167 -2.1597 PRESSURE: 373000 -38.9531 -75.3235 -16.515 -75.3244 -9.01061 7.40798 -16.515 7.40707 -78.092 GPRESSURE: 373000 -0.743811 -90.5231 6.87126 -78.094 28.26 29.3407 3.00062 -3.96605 -62.8939 PRESSAVG: 373000 -15.2376 18.5066 -23.3985 18.5066 51.7323 21.5358 -23.3986 21.5359 -21.7919 GPRESSAVG: 373000 -16.4344 16.1262 -21.3 19.4386 53.305 22.3748 -25.4719 19.712 -22.0208 TIMING: 373000 CPU: 1117.35, 0.00300152/step Wall: 1117.35, 0.00300152/step, 3.85779 hours remaining, 207.320312 MB of memory in use. ENERGY: 373000 711.4428 2123.8743 1953.3531 96.8954 -206275.0066 17736.9311 0.0000 0.0000 34286.5206 -149365.9893 299.4327 -183652.5099 -149271.5081 298.2691 -42.0185 -11.7926 558376.1681 4.9009 4.9499 PRESSURE: 373200 155.826 -20.5506 -5.9142 -20.5501 -13.9249 -122.843 -5.91403 -122.844 -92.7369 GPRESSURE: 373200 168.927 -26.8207 -49.5225 -18.7223 20.303 -128.267 15.5887 -130.244 -56.3157 PRESSAVG: 373200 -0.676897 11.7257 -48.7797 11.7258 35.5975 10.2809 -48.7798 10.281 -60.5259 GPRESSAVG: 373200 0.721644 11.3494 -49.0296 11.9535 33.7694 9.72146 -48.1855 11.6263 -60.4929 TIMING: 373200 CPU: 1117.94, 0.00297519/step Wall: 1117.94, 0.00297519/step, 3.82378 hours remaining, 207.320312 MB of memory in use. ENERGY: 373200 734.5613 2059.4767 1963.3032 123.3043 -206457.3867 17899.8850 0.0000 0.0000 34233.1230 -149443.7331 298.9664 -183676.8561 -149345.4231 298.6995 16.3880 44.3048 556540.5873 -8.5351 -8.6673 PRESSURE: 373400 147.092 -31.4133 175.717 -31.4141 70.8272 52.0486 175.716 52.0474 -181.916 GPRESSURE: 373400 173.356 -44.042 240.884 -100.073 119.68 29.6793 117.717 2.46617 -152.542 PRESSAVG: 373400 -2.56212 -34.7668 -49.1682 -34.7667 27.6065 14.8404 -49.1682 14.8405 -30.2079 GPRESSAVG: 373400 -2.82256 -35.0799 -51.3766 -32.1829 27.8026 15.4099 -47.6264 15.7482 -30.5715 TIMING: 373400 CPU: 1118.54, 0.00301493/step Wall: 1118.54, 0.00301493/step, 3.87468 hours remaining, 207.320312 MB of memory in use. ENERGY: 373400 737.0707 2087.1755 1941.9841 114.8759 -206228.0227 17783.0782 0.0000 0.0000 34166.0352 -149397.8032 298.3805 -183563.8384 -149297.0076 298.0222 12.0011 46.8314 556798.8998 -1.7212 -1.8638 PRESSURE: 373600 -32.3404 3.59936 -93.3675 3.59923 20.9133 29.4557 -93.3665 29.4567 -248.01 GPRESSURE: 373600 14.6549 35.2523 -53.5307 -2.39404 69.1918 44.369 -175.081 -44.2389 -235.655 PRESSAVG: 373600 28.2027 56.7797 13.3911 56.7798 46.6243 3.11923 13.391 3.11929 -33.3832 GPRESSAVG: 373600 28.2301 55.2736 15.4539 56.5678 46.1059 2.41115 12.4518 2.27535 -32.8974 TIMING: 373600 CPU: 1119.15, 0.00302635/step Wall: 1119.15, 0.00302635/step, 3.88919 hours remaining, 207.320312 MB of memory in use. ENERGY: 373600 763.1008 2116.8207 1972.5529 113.3212 -206288.0162 17900.5791 0.0000 0.0000 34088.4774 -149333.1641 297.7032 -183421.6415 -149240.6202 299.0369 -86.4790 -50.6026 558156.1304 13.8146 13.8129 PRESSURE: 373800 -85.3003 -140.165 118.69 -140.167 -71.4362 96.3928 118.69 96.3927 -375.224 GPRESSURE: 373800 -34.1056 -101.269 3.58793 -213.259 -84.6408 21.1204 181.75 158.978 -322.385 PRESSAVG: 373800 8.64441 42.6605 -16.238 42.6605 8.42871 -31.101 -16.238 -31.1011 -25.9213 GPRESSAVG: 373800 7.72174 44.5184 -15.9962 39.8323 10.1019 -30.2594 -16.163 -30.2592 -26.641 TIMING: 373800 CPU: 1119.75, 0.0029965/step Wall: 1119.75, 0.0029965/step, 3.85066 hours remaining, 207.320312 MB of memory in use. ENERGY: 373800 743.6257 2068.7127 1955.0937 124.4716 -205982.5707 17652.5574 0.0000 0.0000 34142.5760 -149295.5337 298.1756 -183438.1097 -149203.2128 299.6043 -177.3201 -147.0439 558486.2496 -2.9494 -2.9391 PRESSURE: 374000 -227.494 -100.871 121.916 -100.872 -96.0355 -265.934 121.916 -265.932 -117.866 GPRESSURE: 374000 -181.319 -115.769 119.024 -88.3615 -103.433 -286.238 163.791 -347.38 -64.4592 PRESSAVG: 374000 17.3512 22.1612 35.7655 22.1612 3.578 -24.0669 35.7655 -24.0669 -11.8986 GPRESSAVG: 374000 17.8033 21.7367 35.0583 21.8236 2.72206 -24.2566 36.1374 -24.2446 -11.515 TIMING: 374000 CPU: 1120.35, 0.00301583/step Wall: 1120.35, 0.00301583/step, 3.87534 hours remaining, 207.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 374000 774.9772 2068.3129 1949.0488 99.8684 -206397.9597 17844.9640 0.0000 0.0000 34313.6246 -149347.1638 299.6694 -183660.7884 -149256.9048 300.0267 -147.1319 -116.4039 559580.9939 3.0102 3.0035 PRESSURE: 374200 45.6158 95.2282 -21.6442 95.2287 -276.234 -76.4705 -21.6433 -76.4724 -81.3126 GPRESSURE: 374200 83.2093 112.008 -10.4575 52.839 -245.799 6.2624 -38.5812 72.3939 -45.125 PRESSAVG: 374200 41.7811 21.0165 30.2507 21.0164 -20.9168 56.3045 30.2506 56.3045 -0.823956 GPRESSAVG: 374200 42.6073 21.6043 31.2311 21.2312 -21.665 55.9354 28.3835 56.6082 -0.867537 TIMING: 374200 CPU: 1120.96, 0.00303037/step Wall: 1120.96, 0.00303037/step, 3.89386 hours remaining, 207.320312 MB of memory in use. ENERGY: 374200 754.5477 2070.2681 1967.5241 113.1488 -206110.5177 17814.1474 0.0000 0.0000 34123.8569 -149267.0248 298.0121 -183390.8817 -149167.4033 299.1205 -103.9770 -69.2381 558380.1296 6.6801 6.6916 PRESSURE: 374400 290.612 -30.0096 -204.562 -30.0106 86.814 172.398 -204.562 172.397 18.5952 GPRESSURE: 374400 324.324 16.6773 -179.152 -64.0256 82.4896 201.421 -76.2624 82.8333 70.7026 PRESSAVG: 374400 28.5027 62.1612 -47.5565 62.1611 -36.3471 -5.60999 -47.5565 -5.60998 -1.53873 GPRESSAVG: 374400 28.1515 62.0878 -48.6371 64.0553 -36.4369 -5.10145 -44.1403 -6.14955 -1.51047 TIMING: 374400 CPU: 1121.56, 0.00302151/step Wall: 1121.56, 0.00302151/step, 3.8823 hours remaining, 207.320312 MB of memory in use. ENERGY: 374400 752.7714 2105.0762 1928.9246 109.3775 -206923.3913 18314.9834 0.0000 0.0000 34412.8394 -149299.4188 300.5359 -183712.2582 -149202.5449 299.2520 132.0070 159.1721 558782.0806 -3.1277 -3.2653 PRESSURE: 374600 133.76 17.1926 55.9783 17.1933 77.0911 -59.4061 55.9775 -59.4073 -113.175 GPRESSURE: 374600 144.585 4.94565 90.5646 84.4304 122.21 4.58547 109.776 -47.9206 -71.4358 PRESSAVG: 374600 9.61427 39.8818 -40.7543 39.8819 -30.3475 40.3097 -40.7544 40.3096 44.4029 GPRESSAVG: 374600 10.0338 41.5315 -40.5021 37.5812 -29.1053 40.7426 -41.8018 42.5097 42.991 TIMING: 374600 CPU: 1122.17, 0.00303874/step Wall: 1122.17, 0.00303874/step, 3.90427 hours remaining, 207.320312 MB of memory in use. ENERGY: 374600 760.5927 2096.0110 1936.7180 126.0838 -206363.9261 17855.5608 0.0000 0.0000 34086.7660 -149502.1937 297.6882 -183588.9597 -149401.2593 299.4053 32.5588 65.1198 558519.9096 7.8899 7.9732 PRESSURE: 374800 95.6369 43.3961 74.8549 43.3954 251.217 58.6543 74.8555 58.653 55.6086 GPRESSURE: 374800 86.6492 75.0927 99.4156 44.6855 284.232 91.5515 -11.179 -47.6141 124.167 PRESSAVG: 374800 -36.9212 15.1218 22.5421 15.1219 -12.2931 46.7375 22.5422 46.7374 40.918 GPRESSAVG: 374800 -37.5256 11.6844 22.2752 16.9642 -13.9067 47.3079 21.6138 43.3833 43.454 TIMING: 374800 CPU: 1122.76, 0.00295902/step Wall: 1122.76, 0.00295902/step, 3.80168 hours remaining, 207.320312 MB of memory in use. ENERGY: 374800 772.9738 2155.0170 1926.6652 108.7363 -207040.1302 18238.7729 0.0000 0.0000 34423.7636 -149414.2015 300.6313 -183837.9650 -149321.3243 298.5380 134.1543 165.0161 556732.6016 -2.7654 -2.6594 PRESSURE: 375000 252.428 11.1409 -133.31 11.141 -39.0209 82.0461 -133.311 82.0431 -98.0997 GPRESSURE: 375000 297.694 -15.1999 -151.298 -9.48421 -24.6596 64.2118 -99.0235 63.2636 -75.8037 PRESSAVG: 375000 71.9927 30.1498 0.773741 30.1498 26.1241 40.5993 0.773758 40.5992 -66.9387 GPRESSAVG: 375000 71.7471 32.1433 0.0460535 29.1145 27.4891 41.9133 2.6866 41.2905 -67.8289 TIMING: 375000 CPU: 1123.36, 0.00299717/step Wall: 1123.36, 0.00299717/step, 3.85054 hours remaining, 207.320312 MB of memory in use. ENERGY: 375000 752.2956 2123.7765 1954.3537 128.0738 -206885.2896 18008.2565 0.0000 0.0000 34277.7461 -149640.7874 299.3561 -183918.5335 -149546.6223 299.4193 38.4359 65.7434 556183.9310 10.3927 10.4691 PRESSURE: 375200 -27.6149 18.9786 -0.931525 18.9782 47.8317 213.164 -0.932371 213.167 91.9504 GPRESSURE: 375200 -5.57366 -29.3444 43.0003 102.714 93.833 113.871 49.3728 270.396 110.482 PRESSAVG: 375200 -49.0404 -23.1808 48.4856 -23.1806 24.2954 -34.3205 48.4855 -34.3205 -17.9611 GPRESSAVG: 375200 -48.8991 -26.2752 49.2233 -21.7999 23.8081 -37.8814 46.3441 -31.9337 -18.2794 TIMING: 375200 CPU: 1123.96, 0.00299142/step Wall: 1123.96, 0.00299142/step, 3.84298 hours remaining, 207.320312 MB of memory in use. ENERGY: 375200 751.9023 2088.1974 1938.5439 121.0661 -206900.9053 18072.9643 0.0000 0.0000 34396.4308 -149531.8006 300.3926 -183928.2314 -149438.5449 298.4478 37.3891 66.2470 555728.0795 -14.2354 -14.4568 PRESSURE: 375400 -72.0173 -61.2731 -74.7017 -61.273 68.0038 -52.7726 -74.7015 -52.7739 17.7277 GPRESSURE: 375400 -0.270819 -107.064 -16.7009 -51.6231 90.2093 -45.3807 -97.8657 -24.0116 9.35963 PRESSAVG: 375400 -29.8637 55.7435 5.84186 55.7435 -31.9323 16.9819 5.8419 16.982 25.9571 GPRESSAVG: 375400 -28.2903 58.5326 6.80378 52.4778 -32.4315 19.6122 7.71862 15.9982 25.4839 TIMING: 375400 CPU: 1124.56, 0.00297842/step Wall: 1124.56, 0.00297842/step, 3.82611 hours remaining, 207.320312 MB of memory in use. ENERGY: 375400 718.2802 2111.3846 1946.3123 100.1587 -206431.3248 17729.5281 0.0000 0.0000 34255.4018 -149570.2591 299.1609 -183825.6609 -149469.1880 298.7060 4.5714 33.0994 557128.3014 -11.9463 -11.7460 PRESSURE: 375600 107.408 -48.908 28.3363 -48.9084 146.001 -69.7841 28.336 -69.783 67.519 GPRESSURE: 375600 101.478 -10.2799 64.5878 -91.2476 152.096 -48.3971 80.1139 -37.3265 159.285 PRESSAVG: 375600 -10.5894 -4.1131 45.5199 -4.11309 7.2554 46.7118 45.5198 46.7118 -0.452084 GPRESSAVG: 375600 -11.8318 -6.3458 44.4527 -3.55848 8.83162 46.7335 43.5875 44.5177 0.105409 TIMING: 375600 CPU: 1125.15, 0.00296897/step Wall: 1125.15, 0.00296897/step, 3.81381 hours remaining, 207.320312 MB of memory in use. ENERGY: 375600 756.9302 2081.7410 1969.3635 109.2084 -206817.0115 18191.6875 0.0000 0.0000 34135.3489 -149572.7319 298.1125 -183708.0809 -149471.2559 298.8384 106.9761 137.6196 556533.2598 -1.2620 -0.9649 PRESSURE: 375800 -133.225 -51.3613 117.803 -51.3608 -164.006 60.8466 117.804 60.8481 46.9148 GPRESSURE: 375800 -110.244 19.1178 80.3501 -197.47 -95.4585 35.1437 109.323 125.645 57.7869 PRESSAVG: 375800 44.7871 -59.1974 61.2109 -59.1974 -36.2059 -23.8718 61.211 -23.8717 -12.701 GPRESSAVG: 375800 45.4577 -55.4733 61.2485 -59.0975 -35.7954 -24.4612 62.2864 -21.9365 -13.6459 TIMING: 375800 CPU: 1125.74, 0.00297086/step Wall: 1125.74, 0.00297086/step, 3.81607 hours remaining, 207.320312 MB of memory in use. ENERGY: 375800 749.1846 2055.3484 1946.8121 115.6489 -206762.3067 17961.0291 0.0000 0.0000 34382.6955 -149551.5882 300.2726 -183934.2837 -149458.9413 298.5230 -83.4386 -49.3051 556622.6385 -1.3733 -1.3279 PRESSURE: 376000 -15.323 189.164 138.542 189.164 -123.789 8.81531 138.542 8.81571 -369.694 GPRESSURE: 376000 -100.289 95.7879 110.724 164.709 -35.2786 82.886 187.536 -80.2017 -278.966 PRESSAVG: 376000 -16.6764 -75.4174 37.6122 -75.4173 -16.1897 9.0086 37.6123 9.00852 29.1532 GPRESSAVG: 376000 -17.1192 -77.3656 39.8291 -76.6348 -15.6684 8.73655 36.6702 8.05135 29.0078 TIMING: 376000 CPU: 1126.34, 0.00295824/step Wall: 1126.34, 0.00295824/step, 3.79969 hours remaining, 207.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 376000 751.5111 2061.1670 1937.2596 119.7421 -206214.4873 17549.9245 0.0000 0.0000 34108.0027 -149686.8803 297.8737 -183794.8830 -149593.5036 299.0552 -169.6021 -138.1779 554898.9950 -1.2376 -1.2599 PRESSURE: 376200 90.1217 -10.04 -34.655 -10.0401 -153.605 -147.519 -34.6534 -147.519 -34.9262 GPRESSURE: 376200 131.883 -20.6112 -118.416 91.313 -198.911 -115.941 41.6427 -163.5 60.5878 PRESSAVG: 376200 14.5548 -34.3393 -30.0992 -34.3393 52.2638 -59.9454 -30.0992 -59.9453 -56.3572 GPRESSAVG: 376200 14.3624 -34.9135 -30.788 -32.2907 50.9621 -59.4737 -30.048 -59.9536 -54.8207 TIMING: 376200 CPU: 1126.93, 0.00297534/step Wall: 1126.93, 0.00297534/step, 3.8215 hours remaining, 207.320312 MB of memory in use. ENERGY: 376200 779.2025 2061.0298 1936.3264 109.7642 -206348.8435 17765.0591 0.0000 0.0000 34018.6827 -149678.7787 297.0936 -183697.4615 -149579.6288 298.1575 -32.8032 -2.1466 556912.8551 3.4871 3.5013 LDB: ============= START OF LOAD BALANCING ============== 1130.45 LDB: ============== END OF LOAD BALANCING =============== 1130.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1130.45 LDB: ============= START OF LOAD BALANCING ============== 1130.75 LDB: Largest compute 4773 load 0.029714 is 25.2% of average load 0.117833 LDB: Average compute 0.001723 is 1.5% of average load 0.117833 LDB: TIME 1130.75 LOAD: AVG 0.117833 MAX 0.211559 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.035 MB LDB: TIME 1130.75 LOAD: AVG 0.117833 MAX 0.211559 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.039 MB LDB: TIME 1130.75 LOAD: AVG 0.117833 MAX 0.211559 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.039 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1130.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1130.76 PRESSURE: 376400 -9.63334 0.979069 69.5217 0.978399 172.78 63.7257 69.5212 63.7255 -277.409 GPRESSURE: 376400 10.7705 2.63191 7.16602 -27.4125 168.428 81.682 -29.2617 31.4661 -197.745 PRESSAVG: 376400 -27.9127 -26.9794 29.1864 -26.9794 23.2395 -17.2956 29.1864 -17.2955 -18.5997 GPRESSAVG: 376400 -27.9353 -28.9281 28.2321 -26.0768 23.3433 -16.5258 29.0927 -15.1109 -19.2716 TIMING: 376400 CPU: 1127.54, 0.00305785/step Wall: 1127.54, 0.00305785/step, 3.9273 hours remaining, 206.597656 MB of memory in use. ENERGY: 376400 739.4438 2121.2535 1950.6543 122.7475 -206615.5699 17868.4201 0.0000 0.0000 34195.6462 -149617.4044 298.6391 -183813.0507 -149520.3966 298.6806 -38.0873 -6.1825 555288.5006 -7.7576 -7.9545 PRESSURE: 376600 -184.418 -111.736 7.16325 -111.737 136.035 -104.944 7.16341 -104.945 24.2391 GPRESSURE: 376600 -167.522 -154.367 -21.2684 -176.82 168.001 -128.397 -25.3955 -30.3103 75.1258 PRESSAVG: 376600 -24.1728 -4.62509 10.5345 -4.62507 29.4892 -16.6899 10.5346 -16.6899 -10.8828 GPRESSAVG: 376600 -25.0364 -2.42107 10.1612 -6.65572 29.1741 -18.9826 12.9571 -18.0511 -9.66207 TIMING: 376600 CPU: 1128.14, 0.00298638/step Wall: 1128.14, 0.00298638/step, 3.83535 hours remaining, 207.058594 MB of memory in use. ENERGY: 376600 730.9611 2031.3407 1974.3353 108.8921 -205929.0834 17675.6746 0.0000 0.0000 34023.0763 -149384.8031 297.1320 -183407.8794 -149288.1321 298.6606 -8.0482 25.2015 556977.5270 -1.8555 -1.8414 PRESSURE: 376800 -3.61261 12.8174 62.3724 12.8174 -104.425 225.866 62.3718 225.866 175.491 GPRESSURE: 376800 28.3107 -71.3774 50.3824 33.0165 -13.2849 237.207 -20.7844 215.735 135.387 PRESSAVG: 376800 12.77 -45.3739 0.392971 -45.3739 -19.9881 -13.4342 0.39291 -13.4342 26.8037 GPRESSAVG: 376800 12.9848 -45.8109 -0.0161398 -43.4931 -19.1622 -12.8831 0.285571 -13.359 25.7283 TIMING: 376800 CPU: 1128.74, 0.00300022/step Wall: 1128.74, 0.00300022/step, 3.85294 hours remaining, 207.058594 MB of memory in use. ENERGY: 376800 724.5882 2058.3011 1966.4639 114.1347 -206511.9299 17769.8166 0.0000 0.0000 34471.4813 -149407.1441 301.0480 -183878.6254 -149309.1031 298.8607 22.4845 50.1377 556494.3536 6.5285 6.5170 PRESSURE: 377000 117.476 115.715 -28.8251 115.714 -99.9187 78.8507 -28.825 78.8512 -8.76455 GPRESSURE: 377000 150.954 170.992 -23.0356 120.32 -55.2303 84.7749 -13.9162 96.9405 14.3815 PRESSAVG: 377000 36.8446 10.801 5.43889 10.8009 -11.6966 -22.9457 5.43891 -22.9456 -6.81103 GPRESSAVG: 377000 37.2967 11.2881 7.55978 10.596 -12.4118 -20.1064 2.81488 -23.7357 -6.94128 TIMING: 377000 CPU: 1129.35, 0.00303101/step Wall: 1129.35, 0.00303101/step, 3.89233 hours remaining, 207.058594 MB of memory in use. ENERGY: 377000 720.3746 2025.2053 1959.4338 105.7016 -206198.5874 17952.5494 0.0000 0.0000 34025.7734 -149409.5494 297.1555 -183435.3228 -149309.0159 298.9830 2.9309 36.7019 557265.1510 6.1123 5.9812 PRESSURE: 377200 203.195 -79.7898 33.5725 -79.7895 -2.86463 67.6497 33.574 67.6479 162.861 GPRESSURE: 377200 238.151 -61.1728 41.3941 -87.7998 13.6055 114.481 73.3414 79.4123 217.691 PRESSAVG: 377200 10.7308 12.1587 14.4024 12.1588 21.3151 -25.2426 14.4024 -25.2428 -63.2531 GPRESSAVG: 377200 9.91014 11.6865 14.3641 11.3141 21.6464 -28.323 13.5377 -22.8221 -62.9266 TIMING: 377200 CPU: 1129.95, 0.00302177/step Wall: 1129.95, 0.00302177/step, 3.88028 hours remaining, 207.058594 MB of memory in use. ENERGY: 377200 725.4493 2059.1017 1952.5191 110.9380 -206803.2656 18008.4633 0.0000 0.0000 34573.5050 -149373.2892 301.9390 -183946.7942 -149272.7055 299.1227 121.0637 156.4826 555862.5520 -10.4024 -10.4567 PRESSURE: 377400 -76.1896 4.01542 156.503 4.01466 205.47 -11.7779 156.501 -11.7756 -117.425 GPRESSURE: 377400 -77.5993 10.2164 186.893 -26.3946 250.793 -7.54172 180.269 -58.167 -66.2698 PRESSAVG: 377400 12.8743 18.7661 -6.47471 18.766 -32.4132 41.3089 -6.47471 41.3089 13.9661 GPRESSAVG: 377400 12.8626 18.3138 -6.86061 19.3403 -33.0174 42.984 -5.14703 39.7795 14.1756 TIMING: 377400 CPU: 1130.55, 0.0030094/step Wall: 1130.55, 0.0030094/step, 3.86424 hours remaining, 207.058594 MB of memory in use. ENERGY: 377400 750.8278 2097.5390 1955.7439 124.9965 -205688.9090 17766.5667 0.0000 0.0000 33803.5041 -149189.7309 295.2144 -182993.2351 -149085.6943 299.7857 3.9517 35.6412 557315.0139 -1.8576 -1.9930 PRESSURE: 377600 55.2047 -37.5812 -53.2796 -37.581 94.1947 9.87744 -53.279 9.87579 47.0877 GPRESSURE: 377600 47.0702 -45.5829 -112.834 -38.4358 164.423 -2.57232 -44.9501 51.9015 75.2314 PRESSAVG: 377600 14.114 10.6934 -17.803 10.6935 15.1158 7.66617 -17.8029 7.66614 -21.4021 GPRESSAVG: 377600 14.7233 9.15188 -18.232 11.2295 16.569 6.84896 -17.8626 8.77624 -22.7776 TIMING: 377600 CPU: 1131.15, 0.00297755/step Wall: 1131.15, 0.00297755/step, 3.82318 hours remaining, 207.058594 MB of memory in use. ENERGY: 377600 724.6665 2052.7916 1953.8344 108.0695 -206464.5442 17965.6947 0.0000 0.0000 34494.9693 -149164.5183 301.2531 -183659.4876 -149068.6351 299.1664 65.4957 95.5749 557035.6203 2.6092 2.8382 PRESSURE: 377800 -26.7209 10.3083 46.0619 10.3081 -340.057 -105.046 46.0614 -105.046 -169.533 GPRESSURE: 377800 44.4551 53.6717 41.7678 -30.2241 -362.074 13.608 12.9483 -143.623 -130.129 PRESSAVG: 377800 -2.45521 -24.0692 -24.4356 -24.0693 -7.11692 17.9805 -24.4357 17.9803 14.6466 GPRESSAVG: 377800 -1.76925 -23.3804 -25.2715 -23.3405 -8.48254 17.8931 -23.0904 18.6678 15.0664 TIMING: 377800 CPU: 1131.75, 0.00299405/step Wall: 1131.75, 0.00299405/step, 3.84419 hours remaining, 207.058594 MB of memory in use. ENERGY: 377800 758.5561 2088.0930 1959.6955 119.3015 -205819.6045 17572.8009 0.0000 0.0000 34086.5553 -149234.6023 297.6864 -183321.1576 -149136.6153 299.1315 -178.7705 -149.2491 558221.8517 1.6915 1.6049 PRESSURE: 378000 -49.3685 -95.3476 16.3704 -95.3466 98.6888 106.398 16.3705 106.397 -278.158 GPRESSURE: 378000 -40.4083 -152.353 24.5117 -43.7399 142.523 100.017 -19.0584 79.189 -250.331 PRESSAVG: 378000 16.0743 9.3856 32.4985 9.38552 -11.691 -13.3005 32.4985 -13.3006 -30.198 GPRESSAVG: 378000 15.6277 9.5572 33.3762 8.5632 -11.1238 -12.1433 30.8027 -14.4725 -30.5337 TIMING: 378000 CPU: 1132.34, 0.00296604/step Wall: 1132.34, 0.00296604/step, 3.80807 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: 378000 760.7231 2060.4222 1943.7444 101.0484 -205850.4217 17548.0198 0.0000 0.0000 34214.2574 -149222.2065 298.8016 -183436.4639 -149121.0359 299.5622 -76.2792 -49.4056 555910.5898 -8.6049 -8.6766 PRESSURE: 378200 -224.936 64.1767 -47.4438 64.1765 124.276 59.1447 -47.4434 59.1457 -156.508 GPRESSURE: 378200 -199.923 61.0685 -65.0566 48.2846 143.141 121.608 34.711 43.7161 -99.0854 PRESSAVG: 378200 -33.0678 -2.55645 39.007 -2.5564 68.9943 -40.2844 39.007 -40.2844 -65.6547 GPRESSAVG: 378200 -32.6161 -0.977922 38.8379 -3.20269 68.446 -41.091 39.8815 -37.6071 -64.653 TIMING: 378200 CPU: 1132.93, 0.00297608/step Wall: 1132.93, 0.00297608/step, 3.8208 hours remaining, 207.058594 MB of memory in use. ENERGY: 378200 751.9582 2057.9127 1932.3199 111.5211 -205970.9529 17616.0748 0.0000 0.0000 34292.8335 -149208.3325 299.4878 -183501.1661 -149109.6804 299.1528 -85.7228 -51.9558 557193.7742 -9.9094 -9.6077 PRESSURE: 378400 199.141 -170.874 -117.106 -170.873 122.074 31.813 -117.107 31.8119 -229.644 GPRESSURE: 378400 205.957 -250.932 -184.927 -203.547 172.051 11.3128 -66.274 35.5344 -182.612 PRESSAVG: 378400 3.88627 -59.2801 24.0021 -59.2801 32.7527 18.0416 24.0022 18.0416 -46.3382 GPRESSAVG: 378400 4.51107 -61.3113 24.0661 -57.3212 33.3552 20.83 23.4373 14.7874 -47.3453 TIMING: 378400 CPU: 1133.53, 0.00295789/step Wall: 1133.53, 0.00295789/step, 3.79727 hours remaining, 207.058594 MB of memory in use. ENERGY: 378400 748.1837 2095.4208 1976.2106 118.8346 -205999.6397 17770.0827 0.0000 0.0000 34153.6470 -149137.2604 298.2723 -183290.9074 -149040.5833 299.5798 30.5238 65.1320 556076.5757 -3.2331 -3.1597 PRESSURE: 378600 -333.769 196.934 45.408 196.933 -198.257 -60.7667 45.4082 -60.7662 -343.408 GPRESSURE: 378600 -253.923 274.829 68.1507 208.481 -222.345 -100.872 38.84 -67.6938 -310.152 PRESSAVG: 378600 34.0484 -23.3782 61.0195 -23.3782 -12.7595 -36.6114 61.0196 -36.6114 -26.7226 GPRESSAVG: 378600 34.8011 -24.6505 60.3128 -21.832 -12.524 -39.3277 61.0432 -35.699 -27.0966 TIMING: 378600 CPU: 1134.13, 0.00299521/step Wall: 1134.13, 0.00299521/step, 3.84501 hours remaining, 207.058594 MB of memory in use. ENERGY: 378600 719.4549 2146.1993 1926.2054 107.6956 -205703.7218 17194.8483 0.0000 0.0000 34425.5233 -149183.7950 300.6467 -183609.3183 -149089.3360 299.5029 -291.8114 -262.1400 555850.3258 -1.8112 -1.6065 PRESSURE: 378800 -137.488 0.331221 18.4633 0.330553 77.7139 159.451 18.4634 159.451 -64.2491 GPRESSURE: 378800 -120.682 -5.32533 -22.8296 6.63262 49.5867 87.8095 35.6956 193.417 40.6582 PRESSAVG: 378800 -8.25969 -13.6548 -3.07498 -13.6547 13.8194 -2.79162 -3.075 -2.79146 33.4023 GPRESSAVG: 378800 -9.93265 -11.8157 -3.61486 -15.0853 13.4736 -3.82018 -2.21311 -2.68462 35.5921 TIMING: 378800 CPU: 1134.72, 0.00298432/step Wall: 1134.72, 0.00298432/step, 3.83087 hours remaining, 207.058594 MB of memory in use. ENERGY: 378800 766.7413 2079.4024 1959.1109 117.4906 -205971.6212 17758.4077 0.0000 0.0000 34433.0369 -148857.4314 300.7123 -183290.4683 -148760.9680 299.9104 -41.3412 -10.1457 556570.0700 12.9873 13.0443 PRESSURE: 379000 -79.2205 -6.31666 -44.6928 -6.3158 261.543 -108.188 -44.6935 -108.188 133.723 GPRESSURE: 379000 -4.94708 24.0184 -32.5324 -62.2556 246.283 -61.3918 -26.6361 -105.028 161.707 PRESSAVG: 379000 -27.0307 -14.5703 31.9872 -14.5702 53.4816 -10.4736 31.9873 -10.4736 -0.334054 GPRESSAVG: 379000 -26.6215 -14.8235 32.2172 -13.6236 52.7266 -8.56204 30.8004 -11.1444 -0.809908 TIMING: 379000 CPU: 1135.32, 0.0030106/step Wall: 1135.32, 0.0030106/step, 3.86445 hours remaining, 207.058594 MB of memory in use. ENERGY: 379000 751.5027 2130.4991 1953.3912 118.4336 -205980.3048 17754.0504 0.0000 0.0000 34417.0715 -148855.3565 300.5728 -183272.4280 -148761.6901 300.6768 105.3485 134.3476 555931.7154 8.7056 8.4317 PRESSURE: 379200 129.299 -6.84514 38.8719 -6.84372 -89.2306 85.7401 38.8716 85.7397 -55.218 GPRESSURE: 379200 165.392 20.0163 55.637 -43.4354 -64.8533 60.938 33.1996 136.883 -27.8771 PRESSAVG: 379200 -35.3473 18.3784 22.9398 18.3783 -0.499438 -5.55762 22.9398 -5.55758 27.3126 GPRESSAVG: 379200 -35.2482 17.9165 24.1201 18.3359 0.115461 -6.00296 20.6544 -4.74588 27.021 TIMING: 379200 CPU: 1135.92, 0.00300433/step Wall: 1135.92, 0.00300433/step, 3.85623 hours remaining, 207.058594 MB of memory in use. ENERGY: 379200 790.3584 2098.8591 1938.4965 124.9766 -206157.3886 17738.3027 0.0000 0.0000 34482.9006 -148983.4947 301.1477 -183466.3953 -148891.0320 299.9944 -5.0499 24.2206 557638.3123 -2.8447 -2.7039 PRESSURE: 379400 -36.9941 -32.4287 -47.182 -32.4279 -60.1274 -3.60164 -47.182 -3.60212 20.8873 GPRESSURE: 379400 -12.5795 -3.81846 35.7066 -76.8835 -17.2708 -176.103 -133.352 0.990265 40.7813 PRESSAVG: 379400 64.8313 -18.825 43.0926 -18.825 -0.0698025 -4.5355 43.0926 -4.53541 9.41356 GPRESSAVG: 379400 64.8655 -17.6953 42.2841 -19.4698 -0.593289 -4.68874 45.6957 -2.59105 9.78127 TIMING: 379400 CPU: 1136.52, 0.00297837/step Wall: 1136.52, 0.00297837/step, 3.82273 hours remaining, 207.058594 MB of memory in use. ENERGY: 379400 728.9326 2139.9429 1942.3677 117.6138 -205983.5113 17740.7050 0.0000 0.0000 34315.2764 -148998.6729 299.6838 -183313.9493 -148903.1847 299.6392 -25.4114 3.6436 559192.1557 24.7250 24.6845 PRESSURE: 379600 -52.2323 -82.0689 -167.655 -82.0686 -114.891 -201.573 -167.654 -201.573 -32.7362 GPRESSURE: 379600 12.9668 -129.066 -181.882 -51.299 -69.15 -131.083 -115.913 -238.106 -50.2787 PRESSAVG: 379600 -27.4012 -4.23327 -24.8955 -4.23332 14.1108 6.43922 -24.8954 6.4393 3.65613 GPRESSAVG: 379600 -25.7936 -3.60861 -25.5675 -4.88454 14.4427 5.54148 -24.2122 6.49809 1.94675 TIMING: 379600 CPU: 1137.12, 0.0029876/step Wall: 1137.12, 0.0029876/step, 3.83442 hours remaining, 207.058594 MB of memory in use. ENERGY: 379600 725.8043 2113.6424 1959.6248 119.4138 -205873.9168 17741.1747 0.0000 0.0000 34189.8544 -149024.4023 298.5885 -183214.2567 -148927.7778 299.4285 -66.6198 -35.4873 558610.9263 -3.2114 -3.1347 PRESSURE: 379800 -18.6804 -11.53 9.85454 -11.5304 -18.4445 5.58523 9.85489 5.5838 182.277 GPRESSURE: 379800 24.8516 25.9699 19.5809 -31.4539 30.7232 34.3785 -64.1675 -18.1827 170.66 PRESSAVG: 379800 1.11739 14.35 -15.9828 14.35 -63.392 -41.4255 -15.9828 -41.4255 97.7702 GPRESSAVG: 379800 0.693469 13.4946 -13.9636 16.1074 -63.5473 -39.5407 -17.4062 -40.652 97.8569 TIMING: 379800 CPU: 1137.72, 0.00299536/step Wall: 1137.72, 0.00299536/step, 3.84421 hours remaining, 207.058594 MB of memory in use. ENERGY: 379800 695.1428 2131.8036 1974.0602 114.7898 -205948.4024 17853.8841 0.0000 0.0000 34322.7330 -148855.9890 299.7490 -183178.7220 -148759.7907 300.8438 48.3840 75.4115 559915.6448 11.8319 11.6677 PRESSURE: 380000 -56.4049 123.473 -67.3279 123.474 93.4338 33.0839 -67.329 33.0837 180.913 GPRESSURE: 380000 -27.4117 145.218 -34.6566 94.0775 150.303 98.7842 -57.1115 -27.6109 204.563 PRESSAVG: 380000 -13.3069 6.64588 -65.9771 6.64584 -75.9067 7.58888 -65.9772 7.58891 84.2567 GPRESSAVG: 380000 -15.5921 8.55663 -65.4347 3.90603 -74.535 6.74328 -66.8823 6.8105 85.1175 TIMING: 380000 CPU: 1138.32, 0.00300725/step Wall: 1138.32, 0.00300725/step, 3.85931 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: 380000 744.2537 2084.4986 1950.0199 113.6495 -206489.3054 18063.7301 0.0000 0.0000 34587.2904 -148945.8633 302.0594 -183533.1536 -148847.2457 300.2195 72.6472 109.1515 556837.2892 -1.6523 -1.6699 PRESSURE: 380200 -368.715 -77.6192 -45.4324 -77.6192 -77.2478 -11.2501 -45.4313 -11.251 -43.2043 GPRESSURE: 380200 -343.405 -165.243 -97.4257 -49.9331 -21.271 -10.7702 -33.1068 -27.7029 -25.5974 PRESSAVG: 380200 -48.6798 17.9425 -6.64868 17.9425 45.8477 -29.0809 -6.64871 -29.0808 2.67676 GPRESSAVG: 380200 -48.3876 13.2984 -7.78298 21.6356 45.3114 -27.1287 -5.92018 -32.2586 2.8964 TIMING: 380200 CPU: 1138.92, 0.0030013/step Wall: 1138.92, 0.0030013/step, 3.8515 hours remaining, 207.058594 MB of memory in use. ENERGY: 380200 716.0298 2120.9163 1944.1171 119.7017 -205840.7512 17601.7094 0.0000 0.0000 34453.6163 -148884.6607 300.8920 -183338.2769 -148783.9383 300.6873 -163.0556 -130.0913 559760.5942 -0.0518 -0.0599 LDB: ============= START OF LOAD BALANCING ============== 1142.43 LDB: ============== END OF LOAD BALANCING =============== 1142.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1142.44 LDB: ============= START OF LOAD BALANCING ============== 1142.73 LDB: Largest compute 4773 load 0.029639 is 25.2% of average load 0.117832 LDB: Average compute 0.001723 is 1.5% of average load 0.117832 LDB: TIME 1142.73 LOAD: AVG 0.117832 MAX 0.206204 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.312 MB LDB: TIME 1142.73 LOAD: AVG 0.117832 MAX 0.206204 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.312 MB LDB: TIME 1142.73 LOAD: AVG 0.117832 MAX 0.206204 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.312 MB LDB: ============== END OF LOAD BALANCING =============== 1142.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1142.74 PRESSURE: 380400 163.951 37.7232 -61.4744 37.7237 156.366 55.4369 -61.4734 55.4364 85.8978 GPRESSURE: 380400 158.648 24.121 -63.5072 80.2385 203.768 180.169 -9.28498 -24.6367 148.915 PRESSAVG: 380400 -63.7031 23.8084 -40.8491 23.8084 -22.4406 -26.13 -40.8491 -26.13 15.8311 GPRESSAVG: 380400 -63.4115 27.8385 -40.0841 21.5979 -22.8504 -27.3227 -39.6074 -23.9117 15.7163 TIMING: 380400 CPU: 1139.52, 0.00302962/step Wall: 1139.52, 0.00302962/step, 3.88767 hours remaining, 206.406250 MB of memory in use. ENERGY: 380400 699.2074 2172.4926 1938.8906 101.4946 -206105.0626 17937.5165 0.0000 0.0000 34355.9820 -148899.4789 300.0393 -183255.4609 -148802.5088 299.9307 135.4050 170.4435 559470.9680 -23.4375 -23.5152 PRESSURE: 380600 -88.0943 24.2927 -69.6989 24.2914 44.6145 11.3163 -69.6983 11.3166 43.9438 GPRESSURE: 380600 -70.3236 50.1889 -61.8179 -44.695 76.9805 19.0518 -137.81 2.86654 96.4936 PRESSAVG: 380600 -26.3192 -24.2069 3.72479 -24.207 48.1266 -17.6924 3.72473 -17.6923 -8.03334 GPRESSAVG: 380600 -25.9164 -27.7974 2.21934 -22.5045 48.315 -18.1852 3.21426 -18.4019 -8.90789 TIMING: 380600 CPU: 1140.12, 0.0029802/step Wall: 1140.12, 0.0029802/step, 3.82409 hours remaining, 206.609375 MB of memory in use. ENERGY: 380600 763.4123 2078.0231 1959.8893 107.7898 -206072.4859 17804.0111 0.0000 0.0000 34404.7675 -148954.5927 300.4654 -183359.3602 -148856.6980 299.7929 0.1547 34.3835 557674.7013 4.5913 4.4969 PRESSURE: 380800 39.1331 38.5974 30.774 38.5966 -188.195 -21.9584 30.7728 -21.9585 61.09 GPRESSURE: 380800 21.3645 43.5376 17.3063 10.9609 -99.3344 -36.8324 -48.0335 5.15602 84.4146 PRESSAVG: 380800 -38.2373 -14.0451 -8.71215 -14.045 -27.0485 -11.0898 -8.7121 -11.0898 61.6002 GPRESSAVG: 380800 -38.8012 -12.0011 -7.78985 -14.1484 -27.2477 -11.6473 -9.15504 -12.3621 62.2459 TIMING: 380800 CPU: 1140.72, 0.00300663/step Wall: 1140.72, 0.00300663/step, 3.85784 hours remaining, 206.609375 MB of memory in use. ENERGY: 380800 782.5626 2074.0709 1956.2474 113.4752 -205792.0453 17665.4003 0.0000 0.0000 34202.7607 -148997.5282 298.7012 -183200.2889 -148897.4726 299.6972 -29.3241 2.1482 556943.3723 -1.2285 -1.2676 PRESSURE: 381000 94.6546 90.1917 93.742 90.1908 161.957 -71.1551 93.7429 -71.1553 -253.232 GPRESSURE: 381000 87.1491 83.4871 5.61835 123.293 193.342 12.8038 119.498 -45.7104 -187.294 PRESSAVG: 381000 4.87432 -20.1796 -9.0754 -20.1796 32.8921 -12.2558 -9.07536 -12.2557 -33.2091 GPRESSAVG: 381000 5.78927 -19.9326 -9.35125 -20.323 32.1331 -14.4461 -7.68038 -9.7213 -33.7748 TIMING: 381000 CPU: 1141.32, 0.00301242/step Wall: 1141.32, 0.00301242/step, 3.86511 hours remaining, 206.609375 MB of memory in use. ENERGY: 381000 742.0318 2068.5090 1950.9848 119.4503 -205903.9803 17738.6120 0.0000 0.0000 34234.8667 -149049.5256 298.9816 -183284.3923 -148957.1176 299.4636 1.1267 31.0655 556836.4290 1.5191 1.3825 PRESSURE: 381200 39.6404 -55.228 6.81927 -55.228 327.679 91.4141 6.81875 91.414 158.634 GPRESSURE: 381200 106.577 -117.962 -45.3438 -31.9339 357.548 147.158 28.6663 166.224 150.172 PRESSAVG: 381200 -15.2164 12.4428 -15.3374 12.4428 8.97414 16.2335 -15.3373 16.2335 18.6708 GPRESSAVG: 381200 -15.245 12.7143 -16.7528 11.0089 9.3339 18.4372 -17.0732 17.0033 17.9088 TIMING: 381200 CPU: 1141.92, 0.0029935/step Wall: 1141.92, 0.0029935/step, 3.84066 hours remaining, 206.609375 MB of memory in use. ENERGY: 381200 726.3397 2062.2214 1940.6301 113.8601 -206201.3232 18058.2544 0.0000 0.0000 34401.6031 -148898.4144 300.4378 -183300.0176 -148790.5410 300.0084 175.3180 204.7656 557248.0686 4.1428 3.9992 PRESSURE: 381400 260.241 148.183 -18.2439 148.184 -232.589 -0.415917 -18.2425 -0.416742 163.444 GPRESSURE: 381400 309.879 76.6358 -81.8578 110.801 -202.975 57.3229 54.1541 -68.6887 171.763 PRESSAVG: 381400 -18.9232 19.313 37.1994 19.313 -92.8325 40.6724 37.1994 40.6724 65.7885 GPRESSAVG: 381400 -19.7209 18.548 37.9799 18.9621 -92.4718 41.0719 38.0603 39.3271 65.7471 TIMING: 381400 CPU: 1142.53, 0.00301323/step Wall: 1142.53, 0.00301323/step, 3.86581 hours remaining, 206.609375 MB of memory in use. ENERGY: 381400 731.9553 2104.7947 1929.7441 111.9423 -206144.3784 17914.1186 0.0000 0.0000 34209.9776 -149141.8459 298.7642 -183351.8234 -149047.3904 299.2283 63.6988 92.8890 558580.4773 -15.3224 -15.4819 PRESSURE: 381600 48.2395 32.1466 117.497 32.1469 -189.935 -6.86681 117.498 -6.86602 -148.116 GPRESSURE: 381600 87.1695 39.5783 42.932 73.9162 -190.491 -13.9632 125.079 59.986 -87.722 PRESSAVG: 381600 27.6194 57.6842 -3.51391 57.6843 -23.5939 -19.9214 -3.51398 -19.9214 -7.72063 GPRESSAVG: 381600 27.9224 58.596 -2.02779 59.3753 -22.9426 -21.9526 -4.97571 -17.58 -8.21768 TIMING: 381600 CPU: 1143.12, 0.00298346/step Wall: 1143.12, 0.00298346/step, 3.82745 hours remaining, 206.609375 MB of memory in use. ENERGY: 381600 726.2825 2016.1877 1915.1886 116.6744 -205867.2956 17610.0250 0.0000 0.0000 34224.9647 -149257.9726 298.8951 -183482.9373 -149159.3521 299.4191 -96.6037 -63.6812 558771.8122 -1.2317 -1.0793 PRESSURE: 381800 -28.7037 220.389 93.5906 220.388 -26.8919 -82.186 93.5904 -82.1882 13.1497 GPRESSURE: 381800 -12.6538 172.23 161.952 224.462 7.10079 -79.8236 52.4564 -109.876 57.5015 PRESSAVG: 381800 32.4668 2.61088 91.2071 2.61091 -30.9773 -22.8607 91.2071 -22.8606 0.690718 GPRESSAVG: 381800 32.0097 2.59709 89.1151 2.73504 -30.6929 -21.5531 93.0997 -24.2607 0.822517 TIMING: 381800 CPU: 1143.72, 0.00298675/step Wall: 1143.72, 0.00298675/step, 3.83151 hours remaining, 206.609375 MB of memory in use. ENERGY: 381800 735.2914 2059.0408 1922.3286 102.6135 -206323.0040 17942.3494 0.0000 0.0000 34308.7019 -149252.6782 299.6264 -183561.3801 -149144.4128 298.6967 -14.1486 17.3162 558303.4276 0.7267 0.7131 PRESSURE: 382000 106.281 -38.977 0.135111 -38.9775 -19.6723 -75.2483 0.133886 -75.2478 -20.6294 GPRESSURE: 382000 170.087 -15.801 88.8752 -78.7396 -49.0898 -92.4418 -31.3649 -133.588 33.5754 PRESSAVG: 382000 -9.49272 3.14353 28.8968 3.14353 -41.5439 -15.7691 28.8969 -15.769 25.5423 GPRESSAVG: 382000 -7.98749 2.67983 31.5395 2.04154 -43.1968 -14.6708 28.3934 -16.6461 25.6593 TIMING: 382000 CPU: 1144.32, 0.00300664/step Wall: 1144.32, 0.00300664/step, 3.85685 hours remaining, 206.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 382000 769.5861 2065.5940 1967.2649 106.5115 -206096.6599 17949.7633 0.0000 0.0000 34013.2876 -149224.6526 297.0465 -183237.9402 -149128.0405 298.5126 21.9930 51.5242 557233.3713 -8.4981 -8.5083 PRESSURE: 382200 -93.078 48.9561 81.8538 48.9547 -32.0544 -92.5997 81.8515 -92.6 -208.613 GPRESSURE: 382200 -64.4229 -38.8811 109.591 129.355 -31.4988 -115.585 115.778 -153.978 -153.904 PRESSAVG: 382200 -15.8384 -102.186 50.1676 -102.186 -49.0851 -43.3527 50.1676 -43.3529 26.3436 GPRESSAVG: 382200 -17.7119 -102.257 49.3829 -101.679 -48.8031 -43.9065 50.0201 -42.1134 27.6217 TIMING: 382200 CPU: 1144.92, 0.00299881/step Wall: 1144.92, 0.00299881/step, 3.84664 hours remaining, 206.609375 MB of memory in use. ENERGY: 382200 746.4210 2060.8785 1929.2662 100.4528 -205995.8554 17524.0289 0.0000 0.0000 34387.3166 -149247.4915 300.3130 -183634.8081 -149155.4496 298.9091 -111.2483 -83.2751 557343.0741 -12.8600 -12.9644 PRESSURE: 382400 211.174 116.111 -111.358 116.112 136.068 146.503 -111.358 146.503 -48.5727 GPRESSURE: 382400 303.774 31.7652 -201.309 136.557 148.366 177.737 -124.666 121.966 -56.1972 PRESSAVG: 382400 43.6634 3.79926 -3.71407 3.79914 -71.7355 -19.748 -3.71418 -19.748 -12.2396 GPRESSAVG: 382400 44.0323 4.30436 -4.29322 4.03692 -71.298 -20.0353 -2.20865 -19.0865 -13.2462 TIMING: 382400 CPU: 1145.52, 0.00298552/step Wall: 1145.52, 0.00298552/step, 3.82943 hours remaining, 206.609375 MB of memory in use. ENERGY: 382400 723.5771 2065.9972 1947.2648 119.4124 -206222.4040 17936.5671 0.0000 0.0000 34348.4428 -149081.1428 299.9735 -183429.5855 -148990.3011 298.6937 99.5563 131.9812 557920.0938 -13.4373 -13.5040 PRESSURE: 382600 -121.872 -91.9108 80.3097 -91.9108 94.548 18.3455 80.3105 18.3455 158.988 GPRESSURE: 382600 -63.1576 -81.0601 131.699 -116.934 105.722 23.8283 138.031 -70.8789 179.212 PRESSAVG: 382600 -11.0531 -15.5065 15.8353 -15.5064 38.4055 -49.6442 15.8353 -49.6442 -25.8397 GPRESSAVG: 382600 -10.4248 -17.5069 15.4982 -16.4169 38.2182 -50.0267 14.4272 -50.7391 -26.5894 TIMING: 382600 CPU: 1146.12, 0.00298505/step Wall: 1146.12, 0.00298505/step, 3.82866 hours remaining, 206.609375 MB of memory in use. ENERGY: 382600 760.7316 2101.2777 1970.5871 119.2427 -206010.6158 17896.3733 0.0000 0.0000 34160.6723 -149001.7312 298.3336 -183162.4035 -148904.5239 299.0609 43.8882 73.9256 558412.0995 0.5042 0.4013 PRESSURE: 382800 196.782 22.6974 -143.954 22.6962 88.5522 64.0676 -143.953 64.0674 15.9771 GPRESSURE: 382800 261.104 11.8126 -115.777 -2.27512 164.866 136.351 -103.862 63.61 -20.049 PRESSAVG: 382800 7.56984 -41.0649 4.41166 -41.0649 55.9064 76.8895 4.41158 76.8895 -34.5894 GPRESSAVG: 382800 5.9286 -41.5261 6.57853 -41.0605 56.8687 77.9632 3.02146 77.2727 -34.3802 TIMING: 382800 CPU: 1146.72, 0.00300375/step Wall: 1146.72, 0.00300375/step, 3.85248 hours remaining, 206.609375 MB of memory in use. ENERGY: 382800 765.9622 2087.7748 1939.1425 116.6029 -206281.9700 17967.9844 0.0000 0.0000 34424.8964 -148979.6068 300.6412 -183404.5032 -148886.3923 299.5838 100.4370 135.3072 558353.2082 9.6289 9.4724 PRESSURE: 383000 244.284 93.2275 -148.989 93.2272 48.4565 119.066 -148.989 119.064 131.179 GPRESSURE: 383000 343.293 94.6854 -252.352 26.8954 9.50297 33.7549 -92.2493 145.343 171.471 PRESSAVG: 383000 61.393 26.396 -27.1753 26.396 -44.3759 16.0618 -27.1752 16.0618 14.7433 GPRESSAVG: 383000 62.1083 28.0264 -27.7381 26.8447 -45.8574 15.9203 -25.0988 13.4647 15.0505 TIMING: 383000 CPU: 1147.31, 0.00297869/step Wall: 1147.31, 0.00297869/step, 3.82017 hours remaining, 206.609375 MB of memory in use. ENERGY: 383000 748.6711 2063.4442 1949.2720 118.0393 -206364.8026 17969.5822 0.0000 0.0000 34582.9021 -148932.8917 302.0211 -183515.7938 -148842.9280 299.6871 141.3067 174.7556 557492.4116 10.5868 10.4338 PRESSURE: 383200 56.6733 206.169 45.5577 206.168 68.0119 146.263 45.5584 146.262 134.435 GPRESSURE: 383200 107.236 216.099 71.6908 95.0792 159.706 232.017 50.5981 20.866 80.299 PRESSAVG: 383200 7.50146 -28.5293 -1.54795 -28.5293 15.7845 -6.4931 -1.54798 -6.49314 -11.7613 GPRESSAVG: 383200 7.08769 -28.4475 -3.79124 -28.0211 15.636 -6.08862 -1.21045 -4.62693 -11.2342 TIMING: 383200 CPU: 1147.92, 0.00302382/step Wall: 1147.92, 0.00302382/step, 3.87789 hours remaining, 206.609375 MB of memory in use. ENERGY: 383200 727.6263 2113.8516 1958.3728 93.3939 -206001.5578 17817.8176 0.0000 0.0000 34222.7500 -149067.7454 298.8758 -183290.4954 -148978.0002 299.6652 86.3734 115.7468 556604.3451 3.8415 3.8298 PRESSURE: 383400 -189.993 -79.2045 -14.2173 -79.2043 74.2454 76.1056 -14.2179 76.1064 173.361 GPRESSURE: 383400 -134.013 -96.3809 22.4846 -37.648 128.58 54.4437 1.95342 85.5273 160.427 PRESSAVG: 383400 -7.72032 17.7088 -25.8387 17.7088 -19.11 67.3127 -25.8387 67.3127 58.24 GPRESSAVG: 383400 -8.3823 16.0464 -23.8643 18.3246 -17.4223 65.9603 -26.2441 66.7373 57.2666 TIMING: 383400 CPU: 1148.52, 0.00302403/step Wall: 1148.52, 0.00302403/step, 3.87798 hours remaining, 206.609375 MB of memory in use. ENERGY: 383400 734.1350 2070.3678 1953.3090 114.3064 -206142.9913 17736.1154 0.0000 0.0000 34403.9674 -149130.7903 300.4584 -183534.7576 -149039.7419 299.5887 19.2045 51.6646 556115.7049 10.4699 10.4873 PRESSURE: 383600 4.20309 -16.29 -196.369 -16.2905 -228.701 171.397 -196.367 171.397 -63.844 GPRESSURE: 383600 36.8821 -66.5616 -256.622 62.6562 -193.301 124.313 -193.115 78.0227 -50.8489 PRESSAVG: 383600 -2.91936 18.9981 -17.2083 18.998 -33.9163 38.5821 -17.2083 38.5822 4.06174 GPRESSAVG: 383600 -2.70139 21.0427 -18.0919 18.978 -34.3328 39.2196 -17.0687 40.0971 3.87976 TIMING: 383600 CPU: 1149.12, 0.00301343/step Wall: 1149.12, 0.00301343/step, 3.86423 hours remaining, 206.609375 MB of memory in use. ENERGY: 383600 734.1987 2115.2491 1917.5039 111.8202 -205814.4123 17458.1596 0.0000 0.0000 34163.1264 -149314.3545 298.3551 -183477.4809 -149215.7215 299.2916 -96.1140 -69.0892 556962.3956 -10.9246 -11.0515 PRESSURE: 383800 -156.683 -80.9001 -133.451 -80.9006 -224.857 -73.8536 -133.45 -73.8538 40.2048 GPRESSURE: 383800 -104.678 -56.7834 0.370796 -185.839 -183.193 -18.9479 -152.533 7.29568 49.07 PRESSAVG: 383800 22.6137 12.6269 -26.0884 12.6269 -105.32 18.4271 -26.0883 18.4271 74.2318 GPRESSAVG: 383800 23.0096 11.3534 -25.1084 13.3982 -105.966 17.1679 -27.606 18.4672 74.4546 TIMING: 383800 CPU: 1149.73, 0.0030056/step Wall: 1149.73, 0.0030056/step, 3.85401 hours remaining, 206.609375 MB of memory in use. ENERGY: 383800 749.9526 2052.3741 1962.1020 115.9394 -206081.6255 17633.2240 0.0000 0.0000 34383.9391 -149184.0943 300.2835 -183568.0335 -149084.3441 299.0606 -113.7783 -79.6002 556779.2142 -2.8248 -2.8340 PRESSURE: 384000 393.749 26.9773 1.64545 26.9783 245.785 262.205 1.6444 262.205 31.3623 GPRESSURE: 384000 449.742 34.203 -6.65751 17.9932 280.578 277.403 30.3036 268.667 35.8572 PRESSAVG: 384000 37.0467 -8.99267 40.4281 -8.99271 -45.5674 -12.7449 40.4281 -12.7449 -2.73646 GPRESSAVG: 384000 36.4077 -8.70761 40.0298 -10.2382 -45.4394 -12.8497 41.0201 -12.6035 -2.42897 TIMING: 384000 CPU: 1150.33, 0.00303891/step Wall: 1150.33, 0.00303891/step, 3.89655 hours remaining, 206.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 384000 717.3852 2148.9255 1918.5237 114.4131 -206526.1127 18165.1851 0.0000 0.0000 34233.0892 -149228.5910 298.9661 -183461.6802 -149131.3414 299.3690 223.6320 255.3925 557616.9073 -3.7524 -3.8202 PRESSURE: 384200 124.17 -95.0573 -39.1365 -95.0579 -226.483 109.421 -39.137 109.421 -26.0588 GPRESSURE: 384200 108.763 -58.9533 -26.9582 -49.1322 -134.253 116.959 21.6298 108.952 -7.72383 PRESSAVG: 384200 -26.3385 -9.57718 17.9249 -9.57707 11.9696 13.4638 17.9249 13.4639 33.1868 GPRESSAVG: 384200 -25.4166 -10.8374 17.0177 -8.23737 10.7324 12.4007 18.8237 15.2938 33.4596 TIMING: 384200 CPU: 1150.94, 0.00302131/step Wall: 1150.94, 0.00302131/step, 3.87382 hours remaining, 206.609375 MB of memory in use. ENERGY: 384200 763.6959 2019.0805 1960.4569 110.8347 -206466.9939 17975.8786 0.0000 0.0000 34363.2265 -149273.8207 300.1026 -183637.0473 -149179.2269 298.8791 -42.7906 -11.0715 557721.8503 6.2726 6.2584 LDB: ============= START OF LOAD BALANCING ============== 1154.46 LDB: ============== END OF LOAD BALANCING =============== 1154.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1154.46 LDB: ============= START OF LOAD BALANCING ============== 1154.76 LDB: Largest compute 4773 load 0.029490 is 25.0% of average load 0.117861 LDB: Average compute 0.001727 is 1.5% of average load 0.117861 LDB: TIME 1154.76 LOAD: AVG 0.117861 MAX 0.213479 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.41 MB LDB: TIME 1154.76 LOAD: AVG 0.117861 MAX 0.213479 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.469 MB LDB: TIME 1154.76 LOAD: AVG 0.117861 MAX 0.213479 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.469 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1154.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1154.77 PRESSURE: 384400 183.844 31.4844 -187.905 31.4871 5.47666 0.345659 -187.904 0.345673 119.261 GPRESSURE: 384400 170.784 -20.4301 -162.647 14.8873 68.3105 20.7171 -123.641 -4.44649 160.711 PRESSAVG: 384400 17.0999 -4.2992 12.7063 -4.29908 -2.66746 -13.0231 12.7063 -13.0231 6.90515 GPRESSAVG: 384400 17.7142 -1.63496 11.3441 -6.89215 -1.80497 -12.6148 14.0209 -13.7064 5.17717 TIMING: 384400 CPU: 1151.55, 0.00307535/step Wall: 1151.55, 0.00307535/step, 3.94294 hours remaining, 205.257812 MB of memory in use. ENERGY: 384400 745.6497 2118.0504 1935.7969 107.0599 -206638.2109 18001.7497 0.0000 0.0000 34422.8466 -149307.0577 300.6233 -183729.9043 -149219.6816 299.0279 102.8607 133.2685 556526.5590 7.1125 7.0288 PRESSURE: 384600 98.5225 170.621 125.005 170.621 -66.9376 137.942 125.005 137.944 16.3267 GPRESSURE: 384600 139.551 171.629 33.8249 168.35 4.34355 114.161 264.706 121.6 7.91527 PRESSAVG: 384600 -63.8472 16.7682 3.77643 16.7681 65.0908 22.8208 3.77652 22.8209 32.7094 GPRESSAVG: 384600 -64.3558 15.9466 6.26801 18.3602 64.0802 25.5529 2.66334 21.7839 34.0746 TIMING: 384600 CPU: 1152.15, 0.00301108/step Wall: 1152.15, 0.00301108/step, 3.86037 hours remaining, 205.257812 MB of memory in use. ENERGY: 384600 732.7645 2138.9684 1919.9649 97.3137 -206220.4632 17832.4772 0.0000 0.0000 34162.8680 -149336.1064 298.3528 -183498.9745 -149239.7260 299.5422 15.9705 50.6033 557392.7720 11.3177 11.2663 PRESSURE: 384800 -5.91355 -34.8964 34.3547 -34.8952 -201.67 145.966 34.354 145.966 -122.091 GPRESSURE: 384800 30.7156 45.2146 129.375 -43.2196 -173.255 194.529 -1.90175 218.963 -91.4089 PRESSAVG: 384800 10.0137 9.41453 57.3199 9.4145 -39.3124 31.1036 57.32 31.1036 17.4463 GPRESSAVG: 384800 9.41328 10.9386 58.6598 9.3883 -39.2002 30.7157 56.0227 31.879 17.7464 TIMING: 384800 CPU: 1152.75, 0.00299888/step Wall: 1152.75, 0.00299888/step, 3.84457 hours remaining, 205.257812 MB of memory in use. ENERGY: 384800 726.4445 2132.5220 1936.5119 120.6420 -206134.5430 17703.2550 0.0000 0.0000 34199.6355 -149315.5322 298.6739 -183515.1677 -149222.0233 299.1185 -109.8916 -77.9829 556775.4235 -3.9508 -4.0135 PRESSURE: 385000 -7.89242 155.163 72.4001 155.163 86.8769 21.1888 72.3998 21.1884 -155.916 GPRESSURE: 385000 28.696 118.652 84.6826 120.782 118.349 61.2873 113.367 -35.7108 -123.174 PRESSAVG: 385000 -5.42332 18.269 8.75435 18.269 -20.9625 50.3003 8.75427 50.3005 -9.16606 GPRESSAVG: 385000 -5.30121 16.2768 6.83021 18.5548 -21.3828 49.5018 8.51712 47.7328 -8.2151 TIMING: 385000 CPU: 1153.36, 0.00303069/step Wall: 1153.36, 0.00303069/step, 3.88518 hours remaining, 205.257812 MB of memory in use. ENERGY: 385000 735.7493 2078.7727 1937.4272 105.7323 -206238.5097 17659.0503 0.0000 0.0000 34187.4773 -149534.3007 298.5677 -183721.7780 -149433.5417 298.3301 -25.6440 7.9570 556162.5737 -11.8506 -11.6330 PRESSURE: 385200 16.4386 -151.73 -77.3668 -151.731 -76.7566 55.5736 -77.3676 55.5735 -436.775 GPRESSURE: 385200 76.9068 -96.8362 -60.7311 -195.453 -59.2428 -4.85293 -113.234 59.0955 -430.241 PRESSAVG: 385200 37.2837 21.3267 3.35965 21.3266 0.664294 -37.5604 3.35965 -37.5603 -20.9501 GPRESSAVG: 385200 36.8346 21.2577 4.52811 20.342 0.0191552 -38.7842 3.26451 -35.2258 -20.0681 TIMING: 385200 CPU: 1153.96, 0.00299408/step Wall: 1153.96, 0.00299408/step, 3.83808 hours remaining, 205.257812 MB of memory in use. ENERGY: 385200 764.1773 2141.9831 1928.3599 119.4576 -206626.1831 17732.2451 0.0000 0.0000 34159.4379 -149780.5221 298.3229 -183939.9600 -149684.6151 298.2013 -165.6976 -137.5258 557543.2000 5.6659 5.5952 PRESSURE: 385400 -251.714 102.497 -55.9486 102.497 74.1232 190.503 -55.9478 190.504 -221.178 GPRESSURE: 385400 -153.777 108.656 -34.1152 105.835 62.8996 198.322 -74.167 151.378 -201.805 PRESSAVG: 385400 -9.64504 50.3047 -6.77183 50.3047 21.2426 -3.96195 -6.77189 -3.96197 -2.77367 GPRESSAVG: 385400 -7.9774 51.5357 -6.67939 51.1869 21.6968 -4.22191 -5.77523 -3.93567 -4.95736 TIMING: 385400 CPU: 1154.56, 0.0029998/step Wall: 1154.56, 0.0029998/step, 3.84524 hours remaining, 205.257812 MB of memory in use. ENERGY: 385400 748.7880 2043.6010 1956.8414 115.4538 -206419.4252 17855.7344 0.0000 0.0000 33994.1476 -149704.8589 296.8793 -183699.0065 -149605.8558 298.0738 -132.9230 -97.5605 557504.4604 2.9413 2.9207 PRESSURE: 385600 -165.205 130.535 178.227 130.535 -188.358 2.5786 178.226 2.5776 -122.024 GPRESSURE: 385600 -148.362 160.836 136.333 109.6 -153.675 57.235 235.362 -47.8118 -77.8288 PRESSAVG: 385600 22.6725 -2.39474 64.7409 -2.39486 -32.5769 35.7684 64.7408 35.7685 -13.3757 GPRESSAVG: 385600 20.972 -3.06875 62.7299 -3.68273 -32.9451 36.2135 65.6624 36.7378 -12.0414 TIMING: 385600 CPU: 1155.16, 0.00301031/step Wall: 1155.16, 0.00301031/step, 3.85855 hours remaining, 205.257812 MB of memory in use. ENERGY: 385600 691.1240 2066.1342 1922.2084 100.5691 -206318.3804 17470.4414 0.0000 0.0000 34186.5093 -149881.3940 298.5593 -184067.9033 -149783.6623 297.7044 -158.5287 -126.6218 556015.2897 -7.7600 -8.0048 PRESSURE: 385800 -66.4054 74.2575 -134.623 74.2572 -93.9988 -83.0288 -134.624 -83.0279 264.232 GPRESSURE: 385800 -73.7229 79.4061 -112.313 5.66827 15.176 -74.2076 -78.6908 -165.918 265.88 PRESSAVG: 385800 -36.6658 -50.3679 29.6333 -50.3678 10.1624 -37.435 29.6333 -37.4351 34.9428 GPRESSAVG: 385800 -36.2121 -48.5808 32.722 -49.3658 11.2319 -37.0036 28.0703 -40.0311 33.0286 TIMING: 385800 CPU: 1155.76, 0.00301152/step Wall: 1155.76, 0.00301152/step, 3.85993 hours remaining, 205.257812 MB of memory in use. ENERGY: 385800 735.9519 2131.9815 1928.7001 115.3308 -206666.5879 17795.1230 0.0000 0.0000 34211.1826 -149748.3180 298.7748 -183959.5006 -149651.7242 297.3214 34.6092 69.1111 555270.9625 2.8131 2.6828 PRESSURE: 386000 -97.0147 78.5682 176.963 78.5683 -374.041 -93.4055 176.963 -93.4074 -345.362 GPRESSURE: 386000 -58.1817 37.9584 165.926 103.753 -403.33 -133.623 203.391 -101.72 -260.726 PRESSAVG: 386000 24.1133 12.8084 93.6879 12.8084 -61.2586 -50.4359 93.6878 -50.4359 52.3808 GPRESSAVG: 386000 23.0923 10.7906 91.4158 12.3339 -60.742 -48.595 94.2781 -50.1191 52.8739 TIMING: 386000 CPU: 1156.36, 0.00300562/step Wall: 1156.36, 0.00300562/step, 3.85221 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: 386000 755.7862 2104.3404 1941.2627 104.5833 -206340.6860 17549.2426 0.0000 0.0000 34227.3268 -149658.1440 298.9158 -183885.4708 -149563.1930 298.1668 -272.1391 -240.7459 556457.5065 5.0785 5.0748 PRESSURE: 386200 -166.173 -24.8678 -58.8216 -24.8682 -109.424 27.7892 -58.8214 27.791 -158.922 GPRESSURE: 386200 -109.501 48.1966 -49.2558 -13.3193 -90.9577 117.406 -59.8451 -35.6465 -139.429 PRESSAVG: 386200 17.1144 1.81587 50.9439 1.81584 -1.38349 -0.899907 50.944 -0.899978 8.50638 GPRESSAVG: 386200 16.9076 1.78594 50.7953 2.61192 -2.07018 -1.72071 51.5125 -2.5852 9.06575 TIMING: 386200 CPU: 1156.97, 0.00301737/step Wall: 1156.97, 0.00301737/step, 3.86709 hours remaining, 205.257812 MB of memory in use. ENERGY: 386200 755.6947 2069.9558 1983.9695 109.2793 -206412.8955 17596.7637 0.0000 0.0000 34296.4630 -149600.7695 299.5195 -183897.2325 -149505.2577 299.0214 -144.8397 -113.2959 556977.4588 8.0791 7.9677 PRESSURE: 386400 -189.026 -114.902 -6.15586 -114.901 -97.2175 68.4775 -6.15581 68.4774 -193.675 GPRESSURE: 386400 -130.03 -106.202 -15.7726 -137.964 -113.199 112.315 10.6784 60.831 -143.194 PRESSAVG: 386400 -18.3507 57.5326 48.7694 57.5326 18.9826 19.6875 48.7693 19.6874 36.4025 GPRESSAVG: 386400 -17.2573 58.8953 48.4151 57.7814 18.262 17.5663 49.791 22.5764 35.7635 TIMING: 386400 CPU: 1157.57, 0.00300574/step Wall: 1157.57, 0.00300574/step, 3.85202 hours remaining, 205.257812 MB of memory in use. ENERGY: 386400 737.0918 2151.7524 1964.5589 119.0140 -206214.9207 17703.7315 0.0000 0.0000 33975.8236 -149562.9485 296.7193 -183538.7721 -149468.0692 298.4368 -159.9729 -128.8076 556735.9845 12.3448 12.2561 PRESSURE: 386600 -199.873 -103.783 97.7067 -103.783 -144.232 -122.829 97.7061 -122.828 70.312 GPRESSURE: 386600 -202.368 -182.351 56.6551 -68.833 -72.8898 -130.602 157.995 -76.8553 88.1584 PRESSAVG: 386600 -61.0529 15.0696 -7.81037 15.0697 30.2951 21.3251 -7.81038 21.3251 34.3067 GPRESSAVG: 386600 -60.8086 14.0712 -8.45912 15.7161 30.6015 22.5563 -7.64647 19.5829 34.1695 TIMING: 386600 CPU: 1158.17, 0.00299404/step Wall: 1158.17, 0.00299404/step, 3.83687 hours remaining, 205.257812 MB of memory in use. ENERGY: 386600 745.4423 2053.9896 2008.9614 122.0363 -206502.0125 17794.4535 0.0000 0.0000 34229.5293 -149547.6001 298.9350 -183777.1294 -149451.0973 298.1888 -91.2642 -62.3663 556656.7244 1.1830 1.3208 PRESSURE: 386800 -209.128 -105.427 -6.63024 -105.427 253.876 -148.018 -6.6291 -148.018 -93.5846 GPRESSURE: 386800 -123.335 -115.32 -35.4897 -4.19917 209.094 -98.7831 -67.8999 -113.341 -49.1517 PRESSAVG: 386800 -13.3835 41.4716 -21.7343 41.4717 -53.6293 -57.3525 -21.7343 -57.3523 72.5382 GPRESSAVG: 386800 -14.0673 39.3778 -21.2036 42.647 -53.9408 -56.2585 -21.9681 -56.4077 73.1048 TIMING: 386800 CPU: 1158.77, 0.00300563/step Wall: 1158.77, 0.00300563/step, 3.85155 hours remaining, 205.257812 MB of memory in use. ENERGY: 386800 772.3296 2103.1984 1950.9177 120.7781 -206339.7197 17809.4807 0.0000 0.0000 34139.4488 -149443.5664 298.1483 -183583.0152 -149349.9085 298.4922 -16.2787 12.2023 557018.9765 1.8418 1.6989 PRESSURE: 387000 21.3305 121.33 -95.374 121.33 165.79 -56.8332 -95.3742 -56.8343 -147.035 GPRESSURE: 387000 43.6015 125.376 -85.4472 86.7366 187.303 -16.7985 -170.556 -145.872 -91.6675 PRESSAVG: 387000 -86.1267 59.4499 32.988 59.4499 39.0685 1.71159 32.9879 1.71156 41.6755 GPRESSAVG: 387000 -86.3153 60.4986 33.2889 58.5446 40.1349 0.490934 31.9217 0.589422 41.4615 TIMING: 387000 CPU: 1159.37, 0.00300527/step Wall: 1159.37, 0.00300527/step, 3.85092 hours remaining, 205.257812 MB of memory in use. ENERGY: 387000 751.6823 2093.1429 1952.6503 111.0384 -206429.2795 17908.9051 0.0000 0.0000 34241.4813 -149370.3791 299.0394 -183611.8604 -149276.6641 298.6616 13.3619 46.4122 556446.1875 -1.7942 -1.5729 PRESSURE: 387200 49.3637 56.7427 -129.573 56.7434 -106.693 250.774 -129.572 250.774 -360.09 GPRESSURE: 387200 86.1814 37.9872 -186.505 37.776 -102.807 258.927 -69.3704 234.409 -304.545 PRESSAVG: 387200 35.7555 70.0819 -2.68876 70.0819 21.7366 18.006 -2.68879 18.006 -39.0069 GPRESSAVG: 387200 35.6495 71.9922 -3.53387 68.8285 21.7658 19.4683 -4.00668 18.3516 -39.3123 TIMING: 387200 CPU: 1159.97, 0.00300423/step Wall: 1159.97, 0.00300423/step, 3.84942 hours remaining, 205.257812 MB of memory in use. ENERGY: 387200 777.1884 2074.2348 1971.7465 105.0659 -206380.5019 17832.6010 0.0000 0.0000 34158.4954 -149461.1699 298.3146 -183619.6653 -149367.6822 298.9964 -139.1396 -107.0569 556809.7223 6.1617 6.0343 PRESSURE: 387400 -15.3935 -10.03 6.87776 -10.0306 11.1045 -191.365 6.87869 -191.365 -45.5036 GPRESSURE: 387400 10.7245 -20.1076 24.1534 64.4448 71.2336 -232.858 15.4762 -188.239 -43.9562 PRESSAVG: 387400 -10.1545 48.6666 -1.27251 48.6666 57.2293 45.2697 -1.27244 45.2698 -39.1944 GPRESSAVG: 387400 -9.25536 47.9473 -1.15576 48.3842 55.8535 43.1324 -0.091812 46.6646 -38.4117 TIMING: 387400 CPU: 1160.57, 0.00299256/step Wall: 1160.57, 0.00299256/step, 3.8343 hours remaining, 205.257812 MB of memory in use. ENERGY: 387400 747.5059 2016.9510 1954.9102 115.7903 -206303.9553 17874.9878 0.0000 0.0000 34102.4397 -149491.3703 297.8251 -183593.8100 -149398.0806 297.8149 -16.5976 12.6673 557955.7748 2.6268 2.7288 PRESSURE: 387600 -14.7212 -149.888 87.6483 -149.886 67.4221 -138.082 87.6477 -138.082 -217.279 GPRESSURE: 387600 42.8658 -198.242 67.8031 -126.893 126.807 -37.9343 66.0009 -93.4676 -224.715 PRESSAVG: 387600 31.9127 31.0366 13.4458 31.0366 28.3924 9.02467 13.4457 9.0247 -66.2553 GPRESSAVG: 387600 32.5006 30.5128 14.1939 32.4872 29.8957 10.4264 13.1609 8.3994 -68.111 TIMING: 387600 CPU: 1161.17, 0.00298253/step Wall: 1161.17, 0.00298253/step, 3.82129 hours remaining, 205.257812 MB of memory in use. ENERGY: 387600 740.8092 2103.0334 1966.6476 113.2384 -206164.0273 17618.4123 0.0000 0.0000 34270.9903 -149350.8960 299.2971 -183621.8863 -149261.0914 298.6193 -54.8595 -18.3475 556177.6719 -1.9834 -1.9049 PRESSURE: 387800 16.2459 -41.4184 -28.9724 -41.419 -4.70381 73.496 -28.973 73.4975 16.4132 GPRESSURE: 387800 13.4963 -50.3305 95.5232 -49.544 48.819 120.889 -42.5697 58.8365 79.6405 PRESSAVG: 387800 8.66629 -1.95315 -9.88886 -1.95308 10.3618 6.29093 -9.88892 6.29096 -26.7371 GPRESSAVG: 387800 8.61955 -1.09064 -10.3876 -0.929336 9.08599 7.91167 -11.3231 4.73972 -25.5503 TIMING: 387800 CPU: 1161.76, 0.00299104/step Wall: 1161.76, 0.00299104/step, 3.83202 hours remaining, 205.257812 MB of memory in use. ENERGY: 387800 737.5283 2088.3878 1922.7511 116.4444 -206128.6486 17735.1317 0.0000 0.0000 34320.8412 -149207.5641 299.7324 -183528.4053 -149101.7999 298.8368 9.3184 47.3186 556015.3207 -2.5697 -2.6149 PRESSURE: 388000 -345.105 131.561 -67.8818 131.561 -135.961 -70.9619 -67.8829 -70.9635 -161.756 GPRESSURE: 388000 -309.786 217.33 -129.759 105.544 -85.1968 -100.244 -25.7643 -40.7223 -158.195 PRESSAVG: 388000 42.1551 5.68418 -36.2338 5.68415 -60.8335 37.9228 -36.2339 37.9228 4.99922 GPRESSAVG: 388000 40.8786 6.10353 -37.6527 4.73132 -59.0617 37.0668 -34.1556 38.701 4.31544 TIMING: 388000 CPU: 1162.36, 0.00297724/step Wall: 1162.36, 0.00297724/step, 3.81418 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: 388000 768.4674 2103.3147 1982.7513 109.8084 -205802.4110 17407.1759 0.0000 0.0000 34287.7537 -149143.1396 299.4435 -183430.8933 -149051.3364 299.5150 -214.2739 -184.3925 557618.8107 -4.5597 -4.6226 PRESSURE: 388200 -87.5004 138.221 2.0927 138.22 -324.96 -40.4155 2.09334 -40.4148 3.0294 GPRESSURE: 388200 -4.37883 176.04 -15.765 107.369 -323.368 -53.6032 29.7649 20.8088 15.8044 PRESSAVG: 388200 10.0175 1.97066 -1.74547 1.97059 -31.4916 -39.8359 -1.74542 -39.8359 11.7808 GPRESSAVG: 388200 10.8096 0.573065 2.04466 1.27124 -31.7984 -39.5991 -4.43169 -40.9844 10.9882 TIMING: 388200 CPU: 1162.96, 0.00299461/step Wall: 1162.96, 0.00299461/step, 3.83626 hours remaining, 205.257812 MB of memory in use. ENERGY: 388200 759.5465 2082.4864 1942.8272 114.3304 -206001.6650 17718.0435 0.0000 0.0000 34109.0593 -149275.3716 297.8829 -183384.4310 -149180.8382 298.9248 -136.4768 -103.9808 557843.4800 -3.2311 -3.3335 LDB: ============= START OF LOAD BALANCING ============== 1166.47 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1166.47 LDB: =============== DONE WITH MIGRATION ================ 1166.47 LDB: ============= START OF LOAD BALANCING ============== 1166.78 LDB: Largest compute 4773 load 0.028372 is 24.1% of average load 0.117960 LDB: Average compute 0.001726 is 1.5% of average load 0.117960 LDB: TIME 1166.78 LOAD: AVG 0.11796 MAX 0.212386 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.926 MB LDB: TIME 1166.78 LOAD: AVG 0.11796 MAX 0.212386 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.992 MB LDB: TIME 1166.78 LOAD: AVG 0.11796 MAX 0.212386 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.992 MB LDB: ============== END OF LOAD BALANCING =============== 1166.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1166.79 PRESSURE: 388400 -24.2379 104.387 72.41 104.387 -183.845 -109.948 72.4101 -109.948 -202.519 GPRESSURE: 388400 8.3834 100.186 73.6209 240.107 -169.931 -139.588 38.2992 -168.693 -146.408 PRESSAVG: 388400 -6.72101 39.3684 -21.2839 39.3684 12.7946 -24.9915 -21.2839 -24.9915 -29.5819 GPRESSAVG: 388400 -5.73954 40.5636 -25.2296 38.7646 10.7885 -25.4283 -19.5261 -25.3335 -29.1867 TIMING: 388400 CPU: 1163.57, 0.00305876/step Wall: 1163.57, 0.00305876/step, 3.91827 hours remaining, 205.460938 MB of memory in use. ENERGY: 388400 767.2366 2079.6030 1965.9956 110.3392 -206018.0749 17616.9036 0.0000 0.0000 34083.5766 -149394.4202 297.6604 -183477.9968 -149302.4324 298.9908 -136.8675 -102.6517 558785.8409 -7.8361 -8.0459 PRESSURE: 388600 -253.865 -9.05249 276.382 -9.05339 -130.616 -31.5325 276.384 -31.5324 -155.191 GPRESSURE: 388600 -256.869 48.8181 283.865 -10.5464 -28.3307 -65.8918 264.774 -74.3577 -167.359 PRESSAVG: 388600 -17.4718 1.95445 48.8693 1.95454 30.782 -31.107 48.8694 -31.107 -12.7795 GPRESSAVG: 388600 -18.8863 0.603026 53.368 2.25332 31.8823 -32.5231 48.6609 -29.9979 -12.3395 TIMING: 388600 CPU: 1164.18, 0.00302994/step Wall: 1164.18, 0.00302994/step, 3.88119 hours remaining, 205.664062 MB of memory in use. ENERGY: 388600 756.1836 2119.8552 1967.3803 123.5478 -205956.6450 17467.5942 0.0000 0.0000 33984.9511 -149537.1327 296.7990 -183522.0838 -149441.6228 298.1661 -179.8909 -150.8528 558483.8125 0.1769 0.2188 PRESSURE: 388800 -149.205 13.1685 -9.05717 13.169 -47.8727 -31.7392 -9.05677 -31.7388 -278.364 GPRESSURE: 388800 -101.458 -5.53478 24.3154 120.888 -44.966 45.9765 -108.087 -76.8545 -217.972 PRESSAVG: 388800 -58.8466 55.6437 25.7284 55.6437 40.5135 -36.6375 25.7283 -36.6376 -11.1801 GPRESSAVG: 388800 -58.3986 58.803 22.4122 55.3742 40.4053 -37.2469 27.8789 -35.8775 -11.5278 TIMING: 388800 CPU: 1164.78, 0.00299459/step Wall: 1164.78, 0.00299459/step, 3.83573 hours remaining, 205.664062 MB of memory in use. ENERGY: 388800 737.5879 2127.9155 1934.2821 98.3995 -206270.4586 17641.6443 0.0000 0.0000 34148.6400 -149581.9894 298.2286 -183730.6294 -149491.2608 298.5871 -158.4806 -121.4656 556947.5198 -9.8377 -9.8404 PRESSURE: 389000 -263.769 -94.3412 -8.01749 -94.3402 145.142 21.1325 -8.01699 21.1316 -30.6378 GPRESSURE: 389000 -234.639 -38.8319 0.180063 -46.4688 105.811 -2.05559 45.5869 -20.8997 65.5295 PRESSAVG: 389000 -39.1135 14.9723 33.1402 14.9723 28.3115 -9.96004 33.1402 -9.96004 20.2239 GPRESSAVG: 389000 -39.0343 13.2571 34.9946 13.5849 26.4693 -9.39692 31.8919 -12.0146 21.9933 TIMING: 389000 CPU: 1165.38, 0.00300753/step Wall: 1165.38, 0.00300752/step, 3.85214 hours remaining, 205.664062 MB of memory in use. ENERGY: 389000 757.5471 2081.4665 1946.2837 109.6314 -206541.9050 17779.3800 0.0000 0.0000 34315.1763 -149552.4199 299.6830 -183867.5962 -149457.4093 298.6397 -49.7550 -21.0994 557127.7413 3.1406 3.1428 PRESSURE: 389200 98.2386 12.2744 -45.4937 12.2755 16.0512 -149.523 -45.4929 -149.524 -73.3914 GPRESSURE: 389200 181.27 39.3023 -70.5507 -30.7985 59.6723 -45.0341 -43.379 -135.129 -96.2585 PRESSAVG: 389200 -16.3005 30.6112 45.7052 30.6112 29.9367 -45.7206 45.7053 -45.7206 26.6085 GPRESSAVG: 389200 -15.6778 29.7964 45.1746 31.7778 31.021 -45.1757 46.434 -44.4006 25.1938 TIMING: 389200 CPU: 1165.98, 0.0029917/step Wall: 1165.98, 0.0029917/step, 3.83171 hours remaining, 205.664062 MB of memory in use. ENERGY: 389200 754.3673 2027.8119 1943.3733 110.1601 -206156.2385 17770.1850 0.0000 0.0000 34140.2532 -149410.0876 298.1553 -183550.3408 -149318.0346 298.4666 13.6328 48.2279 555446.1755 13.4149 13.5124 PRESSURE: 389400 38.7904 -102.435 82.1063 -102.437 -166.15 46.6108 82.105 46.6087 -175.343 GPRESSURE: 389400 59.1894 -86.6529 134.934 -76.317 -127.426 30.4958 72.8517 142.593 -137.419 PRESSAVG: 389400 -0.990645 -25.2657 -41.1441 -25.2657 11.1586 -43.8885 -41.1442 -43.8884 12.5579 GPRESSAVG: 389400 -1.76506 -24.4246 -40.7006 -25.3333 11.9593 -45.0549 -41.1074 -44.2118 12.8366 TIMING: 389400 CPU: 1166.57, 0.00296853/step Wall: 1166.57, 0.00296853/step, 3.80186 hours remaining, 205.664062 MB of memory in use. ENERGY: 389400 736.7547 2057.8490 1982.0828 111.4671 -206072.1273 17775.8678 0.0000 0.0000 34040.6265 -149367.4794 297.2853 -183408.1059 -149268.4224 298.6168 -100.9006 -68.5519 557208.3552 7.5753 7.6769 PRESSURE: 389600 8.91776 -1.1902 -44.4922 -1.18998 -309.827 76.5471 -44.4931 76.5471 -218.827 GPRESSURE: 389600 52.7338 15.2642 -22.1231 65.9614 -286.603 73.6436 8.06298 88.0543 -189.505 PRESSAVG: 389600 -17.6009 0.862077 19.7571 0.86213 -19.1821 7.69869 19.7571 7.69859 54.1652 GPRESSAVG: 389600 -17.4722 0.828961 19.4711 2.31765 -19.6969 7.43681 20.5233 8.35505 54.3074 TIMING: 389600 CPU: 1167.16, 0.00297524/step Wall: 1167.16, 0.00297524/step, 3.81029 hours remaining, 205.664062 MB of memory in use. ENERGY: 389600 759.5042 2098.7400 1951.5378 113.1534 -206115.7012 17667.2448 0.0000 0.0000 34191.0585 -149334.4626 298.5990 -183525.5211 -149240.5549 298.8844 -173.2454 -141.1246 559359.2654 5.7941 5.7128 PRESSURE: 389800 25.511 119.414 -104.1 119.415 -237.083 43.6787 -104.101 43.6769 -408.287 GPRESSURE: 389800 43.0781 229.961 -51.5001 126.455 -221.605 52.013 -128.117 24.5331 -365.832 PRESSAVG: 389800 35.0173 -0.191921 28.7823 -0.191818 -3.00916 -16.2682 28.7823 -16.2681 -16.6627 GPRESSAVG: 389800 35.5611 0.485694 30.0164 -1.72923 -3.02548 -15.4504 27.417 -18.2649 -17.1445 TIMING: 389800 CPU: 1167.77, 0.00300999/step Wall: 1167.77, 0.00300999/step, 3.85463 hours remaining, 205.664062 MB of memory in use. ENERGY: 389800 771.8369 2064.0133 1966.4197 103.9911 -206441.0462 17783.2133 0.0000 0.0000 34328.7480 -149422.8237 299.8015 -183751.5717 -149329.0772 299.0486 -206.6195 -181.4527 559040.5860 5.1152 5.1304 PRESSURE: 390000 -404.775 -29.2933 81.2443 -29.293 -186.403 22.3665 81.2445 22.3657 -102.273 GPRESSURE: 390000 -354.57 27.6293 117.484 -24.1096 -192.02 -26.97 35.9094 10.8176 -52.2192 PRESSAVG: 390000 -19.508 -10.201 9.68265 -10.2009 -44.4867 -45.0147 9.68276 -45.0147 38.7036 GPRESSAVG: 390000 -21.9122 -10.3983 10.0196 -9.12899 -43.9338 -46.0614 7.23939 -43.4257 40.3052 TIMING: 390000 CPU: 1168.37, 0.00300838/step Wall: 1168.37, 0.00300838/step, 3.8524 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: 390000 701.6935 2107.4520 1968.2510 127.1973 -205940.0002 17489.6943 0.0000 0.0000 34354.3041 -149191.4080 300.0247 -183545.7121 -149099.7192 299.1442 -231.1503 -199.6031 558620.4056 -8.4304 -8.5136 PRESSURE: 390200 -119.131 122.802 -145.2 122.803 -275.361 -53.381 -145.199 -53.3803 -78.9931 GPRESSURE: 390200 -57.0286 82.2218 -224.507 142.996 -297.246 -17.4108 -86.9615 -108.796 -18.6172 PRESSAVG: 390200 9.46671 -6.10282 -6.85458 -6.10292 24.6721 -83.7378 -6.8545 -83.7378 -2.56578 GPRESSAVG: 390200 11.2719 -7.81898 -6.91136 -4.53848 23.7193 -81.3853 -6.03128 -86.1468 -3.59118 TIMING: 390200 CPU: 1168.97, 0.00299828/step Wall: 1168.97, 0.00299828/step, 3.8393 hours remaining, 205.664062 MB of memory in use. ENERGY: 390200 761.2470 2030.3611 1974.6421 114.4945 -206192.1247 17707.2680 0.0000 0.0000 34213.3771 -149390.7350 298.7939 -183604.1121 -149295.8470 299.5486 -157.8283 -124.2973 557602.0799 10.5243 10.4667 PRESSURE: 390400 194.027 -131.54 -50.4246 -131.541 -33.1728 9.4779 -50.4249 9.47923 37.9114 GPRESSURE: 390400 213.133 -78.346 99.4047 -127.767 -5.20746 48.2908 -73.6848 -3.82115 81.8393 PRESSAVG: 390400 -17.0573 7.99533 -18.762 7.99538 11.7014 -12.4855 -18.762 -12.4855 -18.6752 GPRESSAVG: 390400 -17.66 10.5032 -20.0219 6.01116 11.5973 -13.3146 -16.7942 -10.6876 -17.7622 TIMING: 390400 CPU: 1169.57, 0.00300923/step Wall: 1169.57, 0.00300923/step, 3.85316 hours remaining, 205.664062 MB of memory in use. ENERGY: 390400 747.3102 2141.2133 1968.0110 113.1051 -206393.7372 17937.8014 0.0000 0.0000 34139.4930 -149346.8032 298.1487 -183486.2962 -149247.7166 298.8613 66.2551 96.5884 557358.3951 -8.0104 -7.9416 PRESSURE: 390600 -56.7072 -134.378 44.1529 -134.38 90.1956 41.3398 44.154 41.3398 85.4163 GPRESSURE: 390600 -13.0652 -163.694 100.993 -133.769 122.704 25.6978 -6.02109 42.6219 100.37 PRESSAVG: 390600 -15.8121 7.26636 38.329 7.26628 32.4602 -39.2738 38.329 -39.2737 36.1606 GPRESSAVG: 390600 -15.2213 5.01015 40.5303 7.22605 33.1641 -39.7722 38.3567 -42.2073 35.1255 TIMING: 390600 CPU: 1170.18, 0.00304275/step Wall: 1170.18, 0.00304275/step, 3.8959 hours remaining, 205.664062 MB of memory in use. ENERGY: 390600 759.2041 2110.3387 1927.6692 127.6695 -206242.2380 17993.1818 0.0000 0.0000 34344.4909 -148979.6838 299.9390 -183324.1747 -148887.8308 299.8737 39.6349 70.0030 559001.3664 17.6029 17.6894 PRESSURE: 390800 -325.297 108.268 207.795 108.268 -168.351 93.1154 207.794 93.1167 -19.1497 GPRESSURE: 390800 -287.103 75.4958 180.002 75.1378 -97.0253 58.5711 225.658 156.571 -30.7974 PRESSAVG: 390800 -82.5785 -26.0001 41.4015 -26.0001 -10.3414 11.1336 41.4015 11.1337 12.3704 GPRESSAVG: 390800 -81.6473 -25.5862 39.9992 -22.9386 -10.3598 11.4493 40.6469 13.341 11.1893 TIMING: 390800 CPU: 1170.79, 0.00305587/step Wall: 1170.79, 0.00305587/step, 3.91254 hours remaining, 205.664062 MB of memory in use. ENERGY: 390800 799.0936 2096.6123 1937.6454 108.9934 -205963.6611 17766.9492 0.0000 0.0000 34438.7855 -148815.5819 300.7625 -183254.3673 -148720.2599 299.8758 -170.9327 -138.3087 559211.8805 -26.8498 -26.9393 PRESSURE: 391000 -13.1962 -107.216 -59.7462 -107.214 87.4593 28.9576 -59.7467 28.9594 224.137 GPRESSURE: 391000 -19.2661 -74.5515 -33.0951 -138.333 131.868 73.5459 -74.2671 33.6811 277.606 PRESSAVG: 391000 8.00041 17.6271 -7.46072 17.6272 -14.9975 -0.444361 -7.46069 -0.444438 14.023 GPRESSAVG: 391000 6.79279 18.2654 -8.57533 15.2214 -14.9765 -3.57156 -6.99518 0.595781 15.5046 TIMING: 391000 CPU: 1171.39, 0.00300059/step Wall: 1171.39, 0.00300059/step, 3.84159 hours remaining, 205.664062 MB of memory in use. ENERGY: 391000 733.5960 2149.0629 1952.5360 103.7281 -206229.7338 17925.7305 0.0000 0.0000 34523.7394 -148841.3410 301.5044 -183365.0803 -148746.1575 301.0606 99.4667 130.0693 557051.0563 2.3420 2.4403 PRESSURE: 391200 -113.709 -216.34 84.8053 -216.339 -208.133 16.2738 84.8056 16.2746 101.23 GPRESSURE: 391200 -54.801 -227.863 136.648 -209.754 -198.554 0.747822 67.164 20.2298 133.545 PRESSAVG: 391200 -6.55931 -65.8376 -3.90465 -65.8376 21.082 22.3119 -3.90468 22.3118 -1.87025 GPRESSAVG: 391200 -6.05594 -64.4636 0.0485701 -67.7933 20.5339 25.3427 -5.43055 23.3621 -1.44362 TIMING: 391200 CPU: 1171.99, 0.00299714/step Wall: 1171.99, 0.00299714/step, 3.83701 hours remaining, 205.664062 MB of memory in use. ENERGY: 391200 776.0425 2108.7787 1947.9528 106.6465 -206100.8863 17917.3442 0.0000 0.0000 34495.5937 -148748.5278 301.2586 -183244.1216 -148655.9193 301.3366 -73.5375 -39.9368 558050.8334 4.2175 4.3448 PRESSURE: 391400 -202.569 143.166 127.479 143.166 -122.59 -67.6207 127.478 -67.6202 -144.614 GPRESSURE: 391400 -197.312 111.419 101.655 159.222 -48.8339 -166.809 113.819 -25.9948 -133.858 PRESSAVG: 391400 1.32149 -15.0368 47.3136 -15.0368 0.109329 -67.674 47.3135 -67.6741 -8.62404 GPRESSAVG: 391400 0.312251 -17.3958 44.4292 -11.8762 -0.0256992 -68.8348 47.9236 -69.3247 -7.99913 TIMING: 391400 CPU: 1172.59, 0.00299246/step Wall: 1172.59, 0.00299246/step, 3.83084 hours remaining, 205.664062 MB of memory in use. ENERGY: 391400 782.4166 2154.4636 1933.2689 116.0277 -205750.8345 17606.7068 0.0000 0.0000 34347.6939 -148810.2571 299.9670 -183157.9510 -148714.3024 301.0923 -156.5910 -126.6677 557112.5597 -2.3977 -2.5709 PRESSURE: 391600 -39.4263 2.89443 31.0004 2.89553 -125.264 -106.421 31.0006 -106.419 -160.164 GPRESSURE: 391600 -33.4279 -24.9245 -31.9333 -34.6783 -79.446 -187.369 76.9654 -67.2557 -125.735 PRESSAVG: 391600 34.2111 33.3172 49.8703 33.3172 -70.1689 22.3099 49.8703 22.31 37.3536 GPRESSAVG: 391600 34.443 34.8284 49.1243 31.2595 -69.3418 25.1111 52.3615 23.2515 36.6695 TIMING: 391600 CPU: 1173.19, 0.00300703/step Wall: 1173.19, 0.00300703/step, 3.84934 hours remaining, 205.664062 MB of memory in use. ENERGY: 391600 730.6086 2087.7107 1972.8531 124.0974 -205441.7328 17445.0245 0.0000 0.0000 34413.7049 -148667.7335 300.5434 -183081.4385 -148564.6661 300.4526 -108.2849 -79.5362 557224.6952 0.4653 0.5902 PRESSURE: 391800 -164.859 46.2744 24.8601 46.2737 -171.413 -44.5756 24.8601 -44.5762 -255.216 GPRESSURE: 391800 -135.468 55.038 19.4471 28.9118 -188.394 -137.324 74.8517 35.8238 -172.425 PRESSAVG: 391800 -26.046 -39.1408 -0.482748 -39.1408 -3.42941 -1.97738 -0.482713 -1.97732 26.3581 GPRESSAVG: 391800 -25.18 -40.9648 -0.448862 -37.5606 -4.00675 -4.73268 -0.795796 -3.62036 26.3625 TIMING: 391800 CPU: 1173.79, 0.00302294/step Wall: 1173.79, 0.00302294/step, 3.86953 hours remaining, 205.664062 MB of memory in use. ENERGY: 391800 778.1178 2086.8627 1973.8525 107.3534 -205682.6017 17475.3948 0.0000 0.0000 34484.2704 -148776.7502 301.1597 -183261.0206 -148682.1115 300.7994 -197.1624 -165.4287 556331.6061 -1.0391 -0.9414 PRESSURE: 392000 -261.124 3.33088 114.136 3.32938 -64.8289 -64.5318 114.136 -64.5334 92.5412 GPRESSURE: 392000 -225.202 -62.7834 19.56 55.3034 -0.859489 -93.039 162.518 -52.0219 84.1152 PRESSAVG: 392000 -33.3243 35.937 47.6372 35.937 28.302 -42.1328 47.6373 -42.1328 16.724 GPRESSAVG: 392000 -33.6582 36.9742 47.4906 36.0572 28.8398 -41.6879 45.6556 -40.3637 16.7234 TIMING: 392000 CPU: 1174.39, 0.00300347/step Wall: 1174.39, 0.00300347/step, 3.84444 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: 392000 752.6482 2093.2567 1968.9188 111.5077 -205844.8595 17721.8399 0.0000 0.0000 34595.3259 -148601.3623 302.1296 -183196.6882 -148492.5746 301.1783 -77.8039 -47.3155 556062.8874 3.9006 3.9683 PRESSURE: 392200 128.152 28.8866 52.0646 28.8862 -190.582 -59.9456 52.0639 -59.9453 -39.29 GPRESSURE: 392200 140.007 6.38677 -20.048 48.8403 -130.327 -16.9554 137.387 -63.0388 -7.75892 PRESSAVG: 392200 -58.4786 -4.44647 -8.43137 -4.4464 11.2466 -4.01018 -8.43133 -4.01027 33.1761 GPRESSAVG: 392200 -58.2505 -6.41165 -6.41406 -2.28522 9.80841 -3.32723 -9.43007 -3.79516 33.664 TIMING: 392200 CPU: 1175, 0.00301279/step Wall: 1175, 0.00301279/step, 3.8562 hours remaining, 205.664062 MB of memory in use. ENERGY: 392200 774.3526 2100.9845 1960.1623 101.3958 -205928.6272 17705.8366 0.0000 0.0000 34568.0813 -148717.8141 301.8917 -183285.8954 -148624.6441 301.0123 -33.9067 0.6403 557752.3037 -4.6853 -4.9260 LDB: ============= START OF LOAD BALANCING ============== 1178.51 LDB: ============== END OF LOAD BALANCING =============== 1178.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1178.52 LDB: ============= START OF LOAD BALANCING ============== 1178.82 LDB: Largest compute 4773 load 0.029028 is 24.6% of average load 0.117849 LDB: Average compute 0.001729 is 1.5% of average load 0.117849 LDB: TIME 1178.82 LOAD: AVG 0.117849 MAX 0.21014 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.461 MB LDB: TIME 1178.82 LOAD: AVG 0.117849 MAX 0.21014 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.461 MB LDB: TIME 1178.82 LOAD: AVG 0.117849 MAX 0.21014 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.461 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1178.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1178.83 PRESSURE: 392400 16.5764 -110.018 252.816 -110.018 220.411 -44.4938 252.817 -44.4942 -9.61505 GPRESSURE: 392400 52.6139 -64.896 273.448 -197.293 189.809 34.8878 181.653 -52.5371 84.4777 PRESSAVG: 392400 41.3432 0.366615 0.113604 0.366694 30.6946 -0.369989 0.11369 -0.369885 -69.3687 GPRESSAVG: 392400 41.9144 1.85116 -0.102195 -3.18075 30.7412 -0.590296 -0.923925 -1.2172 -70.0975 TIMING: 392400 CPU: 1175.61, 0.0030708/step Wall: 1175.61, 0.0030708/step, 3.93029 hours remaining, 205.718750 MB of memory in use. ENERGY: 392400 767.8209 2159.0932 1939.2785 114.3550 -206112.3813 17881.6394 0.0000 0.0000 34478.6889 -148771.5054 301.1110 -183250.1943 -148671.6959 300.4315 75.7908 108.9668 556764.8230 0.8897 0.8527 PRESSURE: 392600 -67.0795 -7.93317 -9.29292 -7.93494 70.1303 -29.9895 -9.2919 -29.9912 -179.703 GPRESSURE: 392600 -23.8595 48.0014 -43.4541 35.2623 113.123 -65.332 54.1527 -50.7916 -170.276 PRESSAVG: 392600 -34.736 -20.5309 36.211 -20.5309 62.9365 28.6343 36.2111 28.6343 -60.685 GPRESSAVG: 392600 -35.753 -18.5936 34.2967 -20.553 63.9147 28.4729 39.9908 27.4979 -60.1374 TIMING: 392600 CPU: 1176.21, 0.00301748/step Wall: 1176.21, 0.00301748/step, 3.86187 hours remaining, 205.921875 MB of memory in use. ENERGY: 392600 734.0928 2046.7866 1972.0809 117.9997 -205547.0708 17533.7836 0.0000 0.0000 34314.5560 -148827.7712 299.6776 -183142.3272 -148731.2398 300.0373 -58.8840 -27.0041 558953.2372 -10.8282 -10.6586 PRESSURE: 392800 125.639 292.484 -44.259 292.485 -47.1349 132.698 -44.258 132.697 16.9496 GPRESSURE: 392800 167.629 259.03 4.14591 287.666 -70.4582 197.309 -23.7077 152.877 90.9129 PRESSAVG: 392800 27.6615 41.8087 18.4514 41.8086 44.9042 27.6715 18.4514 27.6715 -50.5908 GPRESSAVG: 392800 26.8434 39.3918 22.2777 43.0921 44.7258 29.8796 16.0588 27.6774 -49.8956 TIMING: 392800 CPU: 1176.83, 0.00306354/step Wall: 1176.83, 0.00306354/step, 3.92065 hours remaining, 205.921875 MB of memory in use. ENERGY: 392800 740.2787 2048.8837 1994.1731 111.1700 -206058.8818 17814.7517 0.0000 0.0000 34290.7637 -149058.8610 299.4698 -183349.6247 -148965.3460 299.9381 31.8181 62.6947 557104.8996 7.3250 7.2246 PRESSURE: 393000 -130.593 -46.6142 73.4502 -46.6136 449.325 0.0785856 73.4516 0.0786506 283.191 GPRESSURE: 393000 -100.133 -76.0381 24.5701 -71.1528 483.063 47.2815 141.08 9.22063 303.871 PRESSAVG: 393000 -37.294 2.30056 30.3133 2.30057 39.2442 -22.4432 30.3135 -22.4431 18.0629 GPRESSAVG: 393000 -35.9165 2.35278 28.0812 2.31405 39.3166 -25.2187 32.042 -21.7142 16.9124 TIMING: 393000 CPU: 1177.43, 0.00302706/step Wall: 1177.43, 0.00302706/step, 3.8738 hours remaining, 205.921875 MB of memory in use. ENERGY: 393000 730.1520 2080.7332 1962.5299 103.7481 -206371.8067 18137.4234 0.0000 0.0000 34283.9023 -149073.3177 299.4098 -183357.2201 -148970.3765 298.9928 200.6410 228.9335 557717.6529 6.6710 6.7708 PRESSURE: 393200 120.631 33.7337 14.182 33.7333 -166.276 -38.9832 14.1817 -38.9822 -34.541 GPRESSURE: 393200 166.417 -11.95 39.2273 59.7508 -139.914 -63.6348 41.1131 -47.5934 -23.0782 PRESSAVG: 393200 -56.0507 -14.5068 -31.4197 -14.5069 40.4063 -48.4609 -31.4198 -48.4609 25.816 GPRESSAVG: 393200 -55.7102 -13.2185 -29.899 -13.9109 40.0514 -46.6297 -33.5943 -49.7344 26.2836 TIMING: 393200 CPU: 1178.03, 0.00300861/step Wall: 1178.03, 0.00300861/step, 3.85002 hours remaining, 205.921875 MB of memory in use. ENERGY: 393200 722.9731 2055.1685 1939.2859 104.7710 -205754.7591 17636.6213 0.0000 0.0000 34191.0931 -149104.8463 298.5993 -183295.9394 -149015.5083 298.9854 -26.7286 1.1417 558653.7165 3.3905 3.5416 PRESSURE: 393400 229.712 26.9628 -113.414 26.9633 -40.3177 111.217 -113.415 111.217 156.875 GPRESSURE: 393400 308.923 37.9812 -137.517 52.5928 9.91565 100.955 -89.2779 143.481 119.952 PRESSAVG: 393400 -2.77384 -21.0725 -26.4554 -21.0726 0.74165 16.1123 -26.4554 16.1122 34.6818 GPRESSAVG: 393400 -4.20375 -22.0363 -25.6524 -20.3697 2.30301 15.1045 -25.8536 16.7494 34.1515 TIMING: 393400 CPU: 1178.63, 0.00299675/step Wall: 1178.63, 0.00299675/step, 3.83468 hours remaining, 205.921875 MB of memory in use. ENERGY: 393400 705.6521 2123.9933 1953.0229 115.0817 -206454.0370 17966.2836 0.0000 0.0000 34568.9589 -149021.0444 301.8993 -183590.0033 -148928.4757 300.0251 115.4229 146.2637 556072.2170 10.8832 10.7502 PRESSURE: 393600 231.811 61.8676 -221.604 61.8681 -141.559 -138.483 -221.604 -138.483 -110.586 GPRESSURE: 393600 304.922 76.2318 -260.911 130.731 -131.989 -95.2295 -228.499 -91.9652 -100.416 PRESSAVG: 393600 21.3787 20.8596 -0.931365 20.8597 45.5646 -19.6705 -0.931319 -19.6704 -23.0982 GPRESSAVG: 393600 21.1376 18.5173 -3.21717 21.0249 45.5843 -18.9235 -0.92617 -19.5285 -22.587 TIMING: 393600 CPU: 1179.24, 0.00301569/step Wall: 1179.24, 0.00301569/step, 3.85874 hours remaining, 205.921875 MB of memory in use. ENERGY: 393600 747.8184 2138.4748 1939.1472 101.9408 -206388.7669 17899.6982 0.0000 0.0000 34497.0508 -149064.6367 301.2713 -183561.6875 -148970.7934 300.4603 -6.7778 24.1722 556844.8445 14.6150 14.7116 PRESSURE: 393800 69.1923 77.2054 66.7825 77.2054 -122.4 123.857 66.7818 123.855 44.6031 GPRESSURE: 393800 71.1564 132.981 44.4398 10.3202 -72.896 4.78815 66.1611 163.521 86.9615 PRESSAVG: 393800 34.453 16.4816 17.8567 16.4816 -0.486201 -29.2328 17.8567 -29.2329 -45.0876 GPRESSAVG: 393800 35.6811 20.2763 16.7675 16.2021 -1.46082 -30.0039 18.6344 -30.9219 -45.3654 TIMING: 393800 CPU: 1179.84, 0.00299632/step Wall: 1179.84, 0.00299632/step, 3.83379 hours remaining, 205.921875 MB of memory in use. ENERGY: 393800 740.8114 2094.5522 1947.5600 109.0151 -205959.0807 17795.4456 0.0000 0.0000 34294.2581 -148977.4383 299.5003 -183271.6964 -148874.7937 300.2894 -2.8682 28.4073 556985.1030 -3.7069 -3.7150 PRESSURE: 394000 -292.479 233.676 -79.2734 233.676 0.180964 15.9115 -79.273 15.9131 121.355 GPRESSURE: 394000 -273.5 185.28 -43.7598 211.559 12.5021 -53.4057 -70.2401 -5.6214 189.398 PRESSAVG: 394000 44.9752 45.78 -7.01836 45.7801 -30.185 -69.8304 -7.01828 -69.8304 39.4892 GPRESSAVG: 394000 46.8262 44.4499 -5.90067 44.029 -32.1249 -69.7635 -9.33203 -68.6218 39.0637 TIMING: 394000 CPU: 1180.43, 0.00299011/step Wall: 1180.43, 0.00299011/step, 3.82568 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: 394000 746.1926 2094.9622 1987.9285 121.0363 -205808.3508 17606.4005 0.0000 0.0000 34191.9280 -149059.9026 298.6066 -183251.8307 -148958.4083 300.1606 -56.9810 -23.8666 558316.6576 18.0931 17.9217 PRESSURE: 394200 -103.737 129.918 -13.3354 129.918 -0.313155 10.4048 -13.3355 10.4051 -45.3136 GPRESSURE: 394200 -74.9165 161.612 -87.6838 115.058 71.6087 124.655 55.6836 -27.1335 -40.0303 PRESSAVG: 394200 24.5515 48.0783 -6.41909 48.0783 -20.7384 38.0747 -6.4192 38.0746 7.58416 GPRESSAVG: 394200 21.8652 49.1071 -7.65304 48.1617 -18.4619 36.1787 -5.19918 39.4738 8.15923 TIMING: 394200 CPU: 1181.03, 0.00299875/step Wall: 1181.03, 0.00299875/step, 3.83657 hours remaining, 205.921875 MB of memory in use. ENERGY: 394200 752.2171 2072.7759 1950.0575 115.0715 -205979.9042 17742.9529 0.0000 0.0000 34297.2474 -149049.5819 299.5264 -183346.8293 -148953.8470 299.6735 -49.7880 -14.4460 558340.4088 3.7991 3.8542 PRESSURE: 394400 410.887 4.4049 25.8189 4.40409 69.7624 2.62811 25.8191 2.62979 -48.4012 GPRESSURE: 394400 450.376 -18.5349 137.429 4.03527 150.907 -31.867 56.8796 5.57078 -80.6805 PRESSAVG: 394400 101.396 50.4942 45.5593 50.4941 -55.5936 9.26606 45.5593 9.26612 -71.928 GPRESSAVG: 394400 102.653 50.608 46.4889 49.5902 -56.1475 11.529 43.5344 8.66736 -72.6432 TIMING: 394400 CPU: 1181.63, 0.00297589/step Wall: 1181.63, 0.00297589/step, 3.80715 hours remaining, 205.921875 MB of memory in use. ENERGY: 394400 715.2728 2074.2247 1953.6559 109.3226 -206188.6325 17955.3949 0.0000 0.0000 34182.8270 -149197.9346 298.5271 -183380.7616 -149098.7151 299.8273 144.0828 173.5344 557018.0015 -8.7086 -8.7127 PRESSURE: 394600 36.1614 93.7574 27.2592 93.7575 -82.7266 53.8195 27.2592 53.8184 37.5545 GPRESSURE: 394600 40.2717 79.8507 36.516 135.276 -17.8074 -81.2251 -18.0093 109.685 68.3837 PRESSAVG: 394600 13.941 11.6339 -14.0467 11.634 -14.7536 17.1222 -14.0465 17.1222 -21.5723 GPRESSAVG: 394600 13.7937 10.432 -14.2587 15.1698 -15.8283 16.4407 -11.5626 16.0109 -20.2113 TIMING: 394600 CPU: 1182.23, 0.00298868/step Wall: 1182.23, 0.00298868/step, 3.82335 hours remaining, 205.921875 MB of memory in use. ENERGY: 394600 745.8426 2059.1616 1940.9699 110.4099 -206617.9733 17934.1029 0.0000 0.0000 34500.8166 -149326.6698 301.3042 -183827.4864 -149226.1580 298.5519 -3.0036 30.2827 557712.3382 -7.4617 -7.4153 PRESSURE: 394800 43.0948 -34.7271 85.9536 -34.7264 299.866 -59.6357 85.9539 -59.6369 239.403 GPRESSURE: 394800 95.1367 -26.8628 67.8069 -13.3251 247.489 -59.5235 71.3099 -99.3815 329.131 PRESSAVG: 394800 -7.80937 13.1621 36.5205 13.162 24.8097 -29.4633 36.5206 -29.4633 26.6135 GPRESSAVG: 394800 -8.51025 11.866 38.1226 11.0375 25.1858 -31.336 35.5486 -27.8862 26.7016 TIMING: 394800 CPU: 1182.82, 0.00297813/step Wall: 1182.82, 0.00297813/step, 3.80969 hours remaining, 205.921875 MB of memory in use. ENERGY: 394800 771.2252 2084.6867 1936.1607 100.8552 -206581.0807 18172.8124 0.0000 0.0000 34340.6552 -149174.6853 299.9055 -183515.3405 -149074.8175 299.6716 194.1214 223.9188 557528.8702 14.5379 14.4591 PRESSURE: 395000 -77.8147 25.8616 -44.3114 25.8623 34.9215 133.273 -44.3134 133.273 -123.726 GPRESSURE: 395000 -48.0954 62.6382 -15.692 76.8391 66.7019 180.409 -40.1448 74.6939 -84.5614 PRESSAVG: 395000 3.4246 22.283 -24.3356 22.283 11.5534 -83.2249 -24.3355 -83.225 0.651901 GPRESSAVG: 395000 4.37736 21.8451 -24.1177 23.2732 11.9181 -82.9893 -27.9539 -82.5153 -0.11402 TIMING: 395000 CPU: 1183.42, 0.00300259/step Wall: 1183.42, 0.00300259/step, 3.84082 hours remaining, 205.921875 MB of memory in use. ENERGY: 395000 723.5093 2082.2909 1978.6620 100.0055 -206130.4363 17756.3461 0.0000 0.0000 34429.0382 -149060.5843 300.6774 -183489.6225 -148960.9411 299.6546 -55.5398 -21.9850 558589.7801 5.2100 5.3938 PRESSURE: 395200 110.752 7.58619 44.3279 7.58693 -106.56 -55.0086 44.3273 -55.0089 -354.163 GPRESSURE: 395200 179.526 -82.0524 107.425 91.9397 -89.6474 -86.3234 78.4258 -96.768 -343.967 PRESSAVG: 395200 10.5486 26.9686 23.1246 26.9687 54.5446 16.6771 23.1246 16.677 -85.6504 GPRESSAVG: 395200 11.0129 28.8403 20.5181 25.903 53.5568 18.3808 26.9916 14.3249 -85.0522 TIMING: 395200 CPU: 1184.02, 0.00298886/step Wall: 1184.02, 0.00298886/step, 3.82309 hours remaining, 205.921875 MB of memory in use. ENERGY: 395200 750.0157 2115.0082 1967.3145 103.4734 -206063.3471 17617.5968 0.0000 0.0000 34375.2038 -149134.7346 300.2072 -183509.9384 -149034.6353 299.5291 -116.6570 -84.6961 557675.3969 -6.8524 -6.8275 PRESSURE: 395400 -128.364 -39.9615 62.2458 -39.9616 -359.185 -48.8606 62.2451 -48.8605 -281.044 GPRESSURE: 395400 -177.152 -23.1614 32.5195 21.2238 -245.509 -46.8284 43.5123 -48.7245 -257.911 PRESSAVG: 395400 31.2422 10.0431 8.38388 10.043 -31.869 -2.98991 8.38383 -2.98987 23.9852 GPRESSAVG: 395400 31.5109 9.39465 8.79399 9.01154 -30.912 -2.62828 7.26578 -0.716456 22.6565 TIMING: 395400 CPU: 1184.62, 0.00300331/step Wall: 1184.62, 0.00300331/step, 3.8414 hours remaining, 205.921875 MB of memory in use. ENERGY: 395400 731.5708 2106.7803 1947.8573 111.1863 -205801.9962 17367.8124 0.0000 0.0000 34374.7960 -149161.9931 300.2036 -183536.7891 -149066.5717 299.8662 -256.1976 -226.8575 558367.2929 7.7861 7.7518 PRESSURE: 395600 -68.539 -63.2915 77.5714 -63.2917 32.2724 155.39 77.5703 155.39 209.656 GPRESSURE: 395600 -74.9026 -69.7087 137.913 -58.2017 87.93 205.742 95.4724 87.4809 265.93 PRESSAVG: 395600 -3.72072 -8.92611 44.5574 -8.92615 -23.2341 28.4126 44.5575 28.4126 -14.9352 GPRESSAVG: 395600 -4.55067 -10.3433 46.3239 -6.38483 -23.9326 26.7709 46.8741 28.2835 -13.3621 TIMING: 395600 CPU: 1185.22, 0.00301785/step Wall: 1185.22, 0.00301785/step, 3.85983 hours remaining, 205.921875 MB of memory in use. ENERGY: 395600 780.4308 2105.6300 1957.8219 107.7627 -206265.8870 17989.2364 0.0000 0.0000 34101.7567 -149223.2486 297.8191 -183325.0053 -149122.5511 299.8734 57.7964 92.9857 556969.6966 -13.9633 -13.9485 PRESSURE: 395800 67.2179 39.2464 101.378 39.2463 47.1266 28.8665 101.378 28.8683 47.5683 GPRESSURE: 395800 66.8907 104.116 55.9221 49.178 136.382 118.097 152.284 -32.1699 62.2024 PRESSAVG: 395800 -38.7468 -38.6196 9.50807 -38.6196 -25.3273 11.2196 9.50803 11.2196 76.7925 GPRESSAVG: 395800 -38.8994 -39.1413 6.75516 -40.1396 -23.3072 12.5309 8.82908 8.70083 75.332 TIMING: 395800 CPU: 1185.83, 0.00301939/step Wall: 1185.83, 0.00301939/step, 3.86164 hours remaining, 205.921875 MB of memory in use. ENERGY: 395800 743.1554 2151.0842 1944.2223 129.6098 -206298.6195 17846.0642 0.0000 0.0000 34152.5105 -149331.9731 298.2624 -183484.4836 -149241.2162 299.2688 53.9709 88.4916 556009.9091 4.2395 4.3751 PRESSURE: 396000 -65.1441 68.6214 18.2861 68.6221 -150.039 -87.7433 18.2852 -87.7427 130.805 GPRESSURE: 396000 -34.9653 67.7789 -37.4198 89.3779 -166.265 -21.1591 71.5891 -137.943 216.429 PRESSAVG: 396000 -32.6553 -34.0795 25.2872 -34.0795 -58.4034 62.0077 25.2871 62.0078 88.6805 GPRESSAVG: 396000 -32.107 -34.7187 27.4818 -32.8834 -59.4122 60.5626 23.4093 62.8374 89.7113 TIMING: 396000 CPU: 1186.43, 0.00298708/step Wall: 1186.43, 0.00298708/step, 3.82015 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: 396000 761.1235 2089.0207 1948.4064 111.4609 -206082.5073 17612.1847 0.0000 0.0000 34082.1924 -149478.1187 297.6483 -183560.3111 -149369.2921 299.1944 -28.1260 5.0664 556349.3893 -0.7927 -0.6026 PRESSURE: 396200 -38.0562 -89.5955 -99.7087 -89.595 -205.551 -8.61185 -99.7077 -8.61116 -14.0641 GPRESSURE: 396200 -64.877 -94.8405 -125.41 -71.3726 -132.433 -97.4955 -37.0185 20.9016 38.201 PRESSAVG: 396200 -77.6776 -1.99421 31.6227 -1.99417 -6.26381 -23.0265 31.6227 -23.0266 72.5527 GPRESSAVG: 396200 -78.6588 -1.15851 32.4188 -1.49601 -5.26973 -21.7227 31.0265 -20.4239 72.6726 TIMING: 396200 CPU: 1187.02, 0.0029904/step Wall: 1187.02, 0.0029904/step, 3.82422 hours remaining, 205.921875 MB of memory in use. ENERGY: 396200 751.5569 2102.4047 1942.4504 103.4884 -205959.3010 17661.5797 0.0000 0.0000 33957.5457 -149440.2751 296.5597 -183397.8208 -149340.8035 299.1361 -85.8905 -53.0362 557674.4900 -3.7963 -3.7520 LDB: ============= START OF LOAD BALANCING ============== 1190.54 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1190.54 LDB: =============== DONE WITH MIGRATION ================ 1190.54 LDB: ============= START OF LOAD BALANCING ============== 1190.84 LDB: Largest compute 4773 load 0.030242 is 25.7% of average load 0.117813 LDB: Average compute 0.001731 is 1.5% of average load 0.117813 LDB: TIME 1190.84 LOAD: AVG 0.117813 MAX 0.212617 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.035 MB LDB: TIME 1190.84 LOAD: AVG 0.117813 MAX 0.212617 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.242 MB LDB: TIME 1190.84 LOAD: AVG 0.117813 MAX 0.212617 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.242 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1190.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1190.85 PRESSURE: 396400 -119.009 40.5481 -140.151 40.5472 32.1152 -37.8453 -140.151 -37.8447 1.19088 GPRESSURE: 396400 -58.5485 21.4484 -156.176 31.6838 50.3995 -1.96286 -152.807 -9.32007 17.2072 PRESSAVG: 396400 -53.7922 -13.2688 -22.2723 -13.2687 113.291 39.4055 -22.2724 39.4056 -50.2327 GPRESSAVG: 396400 -53.5603 -12.1252 -24.322 -14.0115 112.249 39.3703 -20.0663 39.3764 -49.493 TIMING: 396400 CPU: 1187.63, 0.00304377/step Wall: 1187.63, 0.00304377/step, 3.89231 hours remaining, 204.949219 MB of memory in use. ENERGY: 396400 777.6692 2114.9652 1952.6074 102.9091 -206514.9748 17871.5396 0.0000 0.0000 34491.7702 -149203.5142 301.2252 -183695.2844 -149097.5663 298.9917 -28.5676 3.0194 556977.8558 3.0888 3.0652 PRESSURE: 396600 83.1595 -116.076 64.1555 -116.075 5.79318 -174.93 64.1558 -174.929 105.267 GPRESSURE: 396600 120.528 -108.304 124.63 -110.749 84.8269 -72.8296 100.857 -158.735 87.3541 PRESSAVG: 396600 -70.9643 -22.8223 -16.2515 -22.8223 -32.2711 30.638 -16.2515 30.6379 67.6219 GPRESSAVG: 396600 -69.8689 -23.2788 -16.5032 -23.1808 -31.5781 28.3354 -15.0509 31.4152 65.9889 TIMING: 396600 CPU: 1188.23, 0.00299429/step Wall: 1188.23, 0.00299429/step, 3.82886 hours remaining, 205.207031 MB of memory in use. ENERGY: 396600 755.0570 2120.0590 1971.3963 119.3971 -206303.7956 17905.6992 0.0000 0.0000 34232.0710 -149200.1160 298.9572 -183432.1870 -149102.5702 299.3158 64.7398 97.5696 556641.2814 -11.8711 -11.8194 PRESSURE: 396800 259.224 -37.8025 74.22 -37.8009 -16.5809 -176.124 74.2196 -176.123 -31.852 GPRESSURE: 396800 288.405 22.1932 81.6132 -33.5743 7.37439 -138.874 132.585 -175.764 -6.74317 PRESSAVG: 396800 -23.4011 -4.92738 6.68948 -4.92737 -33.9318 23.6739 6.6895 23.6739 20.9774 GPRESSAVG: 396800 -24.0278 -4.37013 8.71095 -5.19335 -34.4642 27.8336 4.13573 20.7901 22.4775 TIMING: 396800 CPU: 1188.83, 0.00298768/step Wall: 1188.83, 0.00298768/step, 3.82025 hours remaining, 205.207031 MB of memory in use. ENERGY: 396800 720.2953 2099.6496 1964.5443 110.4969 -206228.9954 17777.4412 0.0000 0.0000 34296.0811 -149260.4868 299.5162 -183556.5679 -149163.3469 299.7629 70.2635 96.3455 555966.0437 -12.1185 -12.0048 PRESSURE: 397000 -20.721 120.888 -69.3458 120.889 -211.7 -117.312 -69.3464 -117.312 -28.2013 GPRESSURE: 397000 14.9799 91.5964 -59.3502 102.114 -108.672 -69.8795 8.61255 -206.865 -70.8442 PRESSAVG: 397000 28.6821 -22.592 -36.874 -22.592 8.41203 -50.4571 -36.874 -50.4571 -13.0953 GPRESSAVG: 397000 27.7461 -22.485 -38.0381 -22.934 9.66654 -53.5302 -35.3776 -47.4021 -13.4577 TIMING: 397000 CPU: 1189.43, 0.00299261/step Wall: 1189.43, 0.00299261/step, 3.82639 hours remaining, 205.207031 MB of memory in use. ENERGY: 397000 776.0994 2118.1766 1974.7244 118.1226 -206425.5444 17840.9584 0.0000 0.0000 34334.7302 -149262.7328 299.8537 -183597.4629 -149165.2648 299.6724 -86.8740 -54.8453 557971.0218 7.9996 7.9850 PRESSURE: 397200 -147.079 117.442 -51.2262 117.442 -186.811 -226.838 -51.2272 -226.836 -222.68 GPRESSURE: 397200 -68.3018 32.0471 17.0125 142.192 -183.235 -223.595 -72.8252 -234.461 -205.643 PRESSAVG: 397200 30.2779 25.2381 -40.8111 25.2381 21.6006 -55.6458 -40.8111 -55.6458 -74.5327 GPRESSAVG: 397200 32.0484 25.0459 -43.6473 25.5713 20.6473 -54.7261 -40.5803 -57.7555 -75.1084 TIMING: 397200 CPU: 1190.03, 0.00298876/step Wall: 1190.03, 0.00298876/step, 3.82129 hours remaining, 205.207031 MB of memory in use. ENERGY: 397200 753.5954 2092.3025 1934.3592 126.3538 -205843.8357 17685.6399 0.0000 0.0000 34131.0741 -149120.5109 298.0752 -183251.5849 -149021.2777 299.6754 -185.5233 -152.3933 560305.2146 -7.5514 -7.4709 PRESSURE: 397400 488.943 202.686 194.746 202.686 167.016 60.7044 194.745 60.7039 11.7156 GPRESSURE: 397400 516.844 191.371 214.848 173.982 211.952 36.33 251.342 83.2287 50.0685 PRESSAVG: 397400 81.3827 37.4706 86.1639 37.4705 21.7449 -16.5784 86.1638 -16.5783 -51.8336 GPRESSAVG: 397400 81.5769 38.6008 89.3539 37.1527 21.9701 -14.193 84.4943 -17.4402 -51.8336 TIMING: 397400 CPU: 1190.63, 0.00303261/step Wall: 1190.63, 0.00303261/step, 3.8772 hours remaining, 205.207031 MB of memory in use. ENERGY: 397400 755.5309 2126.1791 1953.3420 109.1462 -206198.3048 18018.6652 0.0000 0.0000 34123.0678 -149112.3736 298.0052 -183235.4415 -149023.9238 299.8669 222.5580 259.6215 556433.9560 17.0980 17.2378 PRESSURE: 397600 -123.164 -100.806 -82.7397 -100.806 -135.265 153.732 -82.74 153.732 -110.574 GPRESSURE: 397600 -107.807 -138.886 -48.7073 -70.1663 -109.626 141.503 -36.8553 183.21 -54.3246 PRESSAVG: 397600 54.6928 -28.8013 21.6442 -28.8013 -26.3639 48.3406 21.6441 48.3406 -34.8275 GPRESSAVG: 397600 54.5545 -31.249 20.1252 -28.2624 -26.1061 46.0858 23.9284 50.3054 -34.4963 TIMING: 397600 CPU: 1191.23, 0.00297766/step Wall: 1191.23, 0.00297766/step, 3.80677 hours remaining, 205.207031 MB of memory in use. ENERGY: 397600 777.1005 2024.7032 1936.0335 119.2368 -206171.1568 17724.2752 0.0000 0.0000 34592.4345 -148997.3731 302.1043 -183589.8076 -148902.9886 300.3980 -123.0008 -90.5860 557250.4010 -2.1662 -2.0160 PRESSURE: 397800 -138.998 -35.8676 -54.0707 -35.866 -160.765 164.935 -54.0709 164.937 198.709 GPRESSURE: 397800 -79.7778 -105.852 -47.148 94.1946 -165.092 56.8494 3.5693 108.357 228.171 PRESSAVG: 397800 -29.4106 -45.149 -22.7486 -45.1488 31.4245 -24.1713 -22.7487 -24.1713 25.1873 GPRESSAVG: 397800 -30.1725 -42.3671 -22.1811 -44.5716 30.9453 -23.6871 -22.1129 -24.807 26.3935 TIMING: 397800 CPU: 1191.82, 0.00297971/step Wall: 1191.82, 0.00297971/step, 3.80923 hours remaining, 205.207031 MB of memory in use. ENERGY: 397800 742.7340 2095.8692 1960.9862 107.3186 -206003.6199 17714.1652 0.0000 0.0000 34440.3534 -148942.1934 300.7762 -183382.5467 -148839.4906 300.4679 -33.6846 -5.5660 557148.6198 9.0671 9.0554 PRESSURE: 398000 -99.4783 -96.0266 38.3937 -96.0269 -256.34 -17.267 38.3936 -17.267 -44.4567 GPRESSURE: 398000 -55.231 -56.5946 -38.4366 -50.481 -183.952 -3.19223 45.9793 -47.4427 -57.1363 PRESSAVG: 398000 29.0603 -1.78017 -8.04961 -1.78021 -3.41274 44.4051 -8.04962 44.4052 -30.1384 GPRESSAVG: 398000 30.4 -2.6725 -8.36557 -1.68814 -4.14355 44.0653 -8.40747 43.3997 -31.0367 TIMING: 398000 CPU: 1192.42, 0.00298596/step Wall: 1192.42, 0.00298596/step, 3.81706 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: 398000 762.2528 2133.2475 1966.4638 111.1491 -206004.5152 17801.3780 0.0000 0.0000 34323.2292 -148906.7949 299.7533 -183230.0240 -148806.1299 300.3291 -133.4251 -98.7730 560220.1256 -1.4969 -1.5934 PRESSURE: 398200 69.3837 63.4233 10.0439 63.4242 -66.6624 145.896 10.0433 145.897 100.564 GPRESSURE: 398200 100.795 52.5348 14.9266 68.66 -52.6935 76.3458 -22.4387 82.633 148.985 PRESSAVG: 398200 -33.9829 68.2263 -15.4558 68.2263 6.00418 33.223 -15.4558 33.2229 34.8922 GPRESSAVG: 398200 -35.5273 67.2862 -15.0612 66.7981 6.83693 32.4391 -15.7011 35.8799 35.6399 TIMING: 398200 CPU: 1193.01, 0.00296365/step Wall: 1193.01, 0.00296365/step, 3.78836 hours remaining, 205.207031 MB of memory in use. ENERGY: 398200 733.4921 2106.4458 1932.9521 98.7035 -205873.3291 17772.9890 0.0000 0.0000 34356.1087 -148872.6380 300.0404 -183228.7467 -148773.9884 300.4953 34.4284 65.6955 558169.8638 2.3045 2.3165 PRESSURE: 398400 193.746 39.2976 5.44819 39.2971 -22.0822 73.7517 5.44962 73.7522 117.203 GPRESSURE: 398400 278.383 26.2336 -2.15469 -20.0374 -3.45497 160.762 42.427 -6.56658 111.087 PRESSAVG: 398400 11.1064 24.3483 26.7839 24.3483 -21.7614 17.5705 26.784 17.5706 21.5005 GPRESSAVG: 398400 11.0852 23.7302 26.4684 25.4537 -21.0749 16.5935 26.7179 15.3166 20.9792 TIMING: 398400 CPU: 1193.61, 0.0029617/step Wall: 1193.61, 0.0029617/step, 3.78572 hours remaining, 205.207031 MB of memory in use. ENERGY: 398400 734.2783 2118.8563 1960.7958 128.4300 -205993.6095 17832.4754 0.0000 0.0000 34033.4064 -149185.3673 297.2222 -183218.7737 -149091.3078 299.9022 96.2888 128.6717 555991.4327 3.6152 3.6632 PRESSURE: 398600 176.391 2.96734 18.685 2.96936 253.657 147.039 18.686 147.039 0.775116 GPRESSURE: 398600 249.351 34.5838 -40.7652 -42.7089 275.912 131.436 40.6098 58.0619 -4.00635 PRESSAVG: 398600 13.4174 -9.42404 5.26923 -9.42407 43.4531 46.1217 5.2692 46.1217 13.7775 GPRESSAVG: 398600 13.7221 -7.14462 4.93173 -9.1966 44.2227 46.7372 4.93476 44.4582 13.2187 TIMING: 398600 CPU: 1194.2, 0.00298202/step Wall: 1194.2, 0.00298202/step, 3.81152 hours remaining, 205.207031 MB of memory in use. ENERGY: 398600 747.2905 2083.7615 1907.1084 116.3241 -206128.5747 17872.3294 0.0000 0.0000 34071.0241 -149330.7368 297.5507 -183401.7609 -149236.6815 298.9256 143.6079 173.7521 556617.6401 23.5494 23.7212 PRESSURE: 398800 -96.4164 6.81579 -30.4062 6.81464 -115.717 16.3168 -30.4069 16.3193 -296.153 GPRESSURE: 398800 -62.9672 -32.768 62.6395 -6.86723 -88.2874 22.7605 -88.1198 -7.75516 -256.286 PRESSAVG: 398800 1.14252 24.6731 4.36116 24.6731 1.41984 37.6315 4.36111 37.6314 6.91663 GPRESSAVG: 398800 2.07335 23.8754 6.08068 24.8235 0.0305477 38.5393 3.67701 39.9349 8.25927 TIMING: 398800 CPU: 1194.8, 0.00298428/step Wall: 1194.8, 0.00298428/step, 3.81424 hours remaining, 205.207031 MB of memory in use. ENERGY: 398800 743.6657 2079.8572 1961.7566 121.5225 -206284.8300 17644.7392 0.0000 0.0000 34307.1128 -149426.1760 299.6125 -183733.2888 -149318.4712 299.5381 -169.4288 -135.8469 556718.2882 3.1597 3.4544 PRESSURE: 399000 78.3539 203.136 65.1658 203.136 -24.885 -187.253 65.1653 -187.253 -60.9138 GPRESSURE: 399000 58.4749 182.367 74.9785 211.445 35.151 -185.452 74.0723 -242.406 -9.73405 PRESSAVG: 399000 13.2261 -29.3035 -6.78975 -29.3034 34.6358 -39.1125 -6.78972 -39.1124 -80.3135 GPRESSAVG: 399000 12.4324 -28.7972 -8.10852 -28.2718 35.6875 -38.6612 -4.77983 -39.3286 -80.1905 TIMING: 399000 CPU: 1195.4, 0.00298407/step Wall: 1195.4, 0.00298407/step, 3.81381 hours remaining, 205.207031 MB of memory in use. ENERGY: 399000 738.8789 2158.5942 1947.6552 109.5762 -206316.4965 17893.4622 0.0000 0.0000 34008.9997 -149459.3302 297.0091 -183468.3298 -149362.9947 297.9985 -2.4816 27.9639 557701.8371 -10.8172 -10.6902 PRESSURE: 399200 -107.649 121.209 79.5888 121.209 -248.283 14.4423 79.5887 14.4431 -284.006 GPRESSURE: 399200 -105.207 -23.7931 17.9764 147.112 -219.116 -12.0282 152.356 60.9601 -221.945 PRESSAVG: 399200 48.5945 -12.583 -20.1898 -12.583 -16.0253 28.0414 -20.1898 28.0414 -41.9875 GPRESSAVG: 399200 49.2821 -13.8838 -20.6628 -14.952 -15.7555 28.4273 -20.5374 27.648 -42.332 TIMING: 399200 CPU: 1195.99, 0.00296605/step Wall: 1195.99, 0.00296605/step, 3.79061 hours remaining, 205.207031 MB of memory in use. ENERGY: 399200 793.9268 2097.7497 1944.4338 114.1124 -206276.9727 17663.7205 0.0000 0.0000 34416.4385 -149246.5910 300.5673 -183663.0295 -149148.6542 299.1616 -213.3129 -182.0895 558288.8347 -3.1394 -2.9351 PRESSURE: 399400 -169.461 124.986 140.398 124.987 -248.005 82.4266 140.398 82.4253 38.4072 GPRESSURE: 399400 -149.894 115.54 119.155 179.061 -236.279 56.9656 190.778 85.8537 97.5537 PRESSAVG: 399400 4.34153 29.6344 8.11223 29.6344 -0.900028 -16.9364 8.11221 -16.9364 -17.1268 GPRESSAVG: 399400 3.52119 29.7907 7.9295 29.7534 -0.7244 -17.3471 7.76272 -16.6252 -16.3484 TIMING: 399400 CPU: 1196.58, 0.00296966/step Wall: 1196.58, 0.00296966/step, 3.79506 hours remaining, 205.207031 MB of memory in use. ENERGY: 399400 747.5261 2100.9065 1928.7733 118.7009 -205982.8522 17537.1449 0.0000 0.0000 34274.2146 -149275.5860 299.3252 -183549.8006 -149173.9539 299.0491 -126.3527 -96.2066 556265.7639 -4.5618 -4.5172 PRESSURE: 399600 -370.289 147.303 3.03077 147.303 -224.154 92.7586 3.03069 92.7597 138.388 GPRESSURE: 399600 -324.859 195.833 35.9503 137.465 -154.099 67.2813 -2.94081 78.4719 124.449 PRESSAVG: 399600 -49.1698 12.6642 -1.45335 12.6642 -75.1718 -1.1805 -1.45329 -1.18043 101.918 GPRESSAVG: 399600 -48.1498 11.8817 0.475705 14.5247 -75.54 -3.31571 -4.58574 0.192269 101.24 TIMING: 399600 CPU: 1197.18, 0.00298257/step Wall: 1197.18, 0.00298257/step, 3.8114 hours remaining, 205.207031 MB of memory in use. ENERGY: 399600 802.5418 2073.7337 1931.7954 105.4662 -206126.1175 17785.6215 0.0000 0.0000 34073.0572 -149353.9017 297.5685 -183426.9589 -149256.5384 298.6314 -152.0180 -118.1696 557175.6042 -7.4745 -7.4832 PRESSURE: 399800 -162.61 -11.9782 -168.276 -11.9775 -1.91924 22.8808 -168.278 22.8797 -78.8188 GPRESSURE: 399800 -111.209 5.41441 -172.547 0.709115 30.8365 47.9952 -158.785 -24.0941 -68.994 PRESSAVG: 399800 -28.6957 24.0663 -16.6062 24.0664 -21.8196 12.4756 -16.6062 12.4756 34.0034 GPRESSAVG: 399800 -29.2365 27.3756 -18.2608 23.6625 -22.0658 13.7626 -14.5037 12.0636 34.4417 TIMING: 399800 CPU: 1197.79, 0.00303878/step Wall: 1197.79, 0.00303878/step, 3.88305 hours remaining, 205.207031 MB of memory in use. ENERGY: 399800 820.2197 2033.8919 1951.4178 111.2893 -206549.0248 17850.4863 0.0000 0.0000 34248.9523 -149532.7674 299.1046 -183781.7197 -149436.9811 298.8936 -81.1162 -49.7887 558078.4332 -5.5039 -5.6202 PRESSURE: 400000 -201.211 -36.7688 40.6193 -36.7687 -77.3139 123.16 40.6201 123.16 201.497 GPRESSURE: 400000 -154.012 -114.125 148.847 125.167 26.2507 145.641 11.1165 57.6251 157.143 PRESSAVG: 400000 -11.5651 30.5108 -16.9024 30.5109 -22.6764 -18.598 -16.9025 -18.5981 74.5803 GPRESSAVG: 400000 -10.4096 29.176 -14.5914 29.789 -23.5901 -17.3157 -17.0486 -19.9942 73.6868 TIMING: 400000 CPU: 1198.39, 0.00303525/step Wall: 1198.39, 0.00303525/step, 3.87838 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: 400000 696.3868 2084.1697 1950.4235 118.9088 -206405.4202 17920.4227 0.0000 0.0000 34121.7956 -149513.3132 297.9941 -183635.1088 -149417.0561 298.3001 -25.6758 9.7938 559082.7017 13.4463 13.2290 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 400000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 400000 WRITING COORDINATES TO RESTART FILE AT STEP 400000 FINISHED WRITING RESTART COORDINATES The last position output (seq=400000) takes 0.009 seconds, 205.207 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, 206.492 MB of memory in use PRESSURE: 400200 -88.8004 -71.2246 138.957 -71.2226 34.0901 -125.969 138.957 -125.968 34.0593 GPRESSURE: 400200 -87.556 -31.5229 163.752 -64.0259 67.8183 -181.319 182.731 -153.295 90.389 PRESSAVG: 400200 -57.2812 47.186 -39.5422 47.1861 33.9964 -14.1902 -39.5423 -14.1902 45.2576 GPRESSAVG: 400200 -58.0241 46.4867 -40.6929 45.7139 34.9479 -14.3689 -37.6209 -15.1509 44.6115 TIMING: 400200 CPU: 1199.01, 0.00307588/step Wall: 1199.01, 0.00307588/step, 3.93012 hours remaining, 206.511719 MB of memory in use. ENERGY: 400200 744.7358 2072.4667 1963.8637 106.4586 -206037.8468 17689.0335 0.0000 0.0000 33964.1569 -149497.1317 296.6174 -183461.2886 -149388.3944 298.7353 -6.8837 23.5504 557075.3602 7.3243 7.1784 LDB: ============= START OF LOAD BALANCING ============== 1202.52 LDB: ============== END OF LOAD BALANCING =============== 1202.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1202.52 LDB: ============= START OF LOAD BALANCING ============== 1202.82 LDB: Largest compute 4800 load 0.031188 is 26.5% of average load 0.117858 LDB: Average compute 0.001729 is 1.5% of average load 0.117858 LDB: TIME 1202.82 LOAD: AVG 0.117858 MAX 0.207882 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.254 MB LDB: TIME 1202.82 LOAD: AVG 0.117858 MAX 0.207882 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.254 MB LDB: TIME 1202.82 LOAD: AVG 0.117858 MAX 0.207882 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.254 MB LDB: ============== END OF LOAD BALANCING =============== 1202.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1202.83 PRESSURE: 400400 59.9149 65.9443 27.8501 65.9443 -205.583 -52.374 27.8502 -52.375 -153.331 GPRESSURE: 400400 86.8447 28.0718 45.9765 98.3438 -138.679 -45.9778 -3.90585 -4.0507 -151.407 PRESSAVG: 400400 -33.2515 17.0473 12.1827 17.0473 -62.0099 -56.2401 12.1828 -56.2401 45.6333 GPRESSAVG: 400400 -33.3966 15.453 10.8067 19.7055 -63.3577 -57.0719 10.8479 -53.1659 47.3618 TIMING: 400400 CPU: 1199.61, 0.00302061/step Wall: 1199.61, 0.00302061/step, 3.85933 hours remaining, 207.593750 MB of memory in use. ENERGY: 400400 720.5425 2097.5128 1926.2863 122.4414 -206107.4263 17598.2728 0.0000 0.0000 34261.1465 -149381.2241 299.2111 -183642.3706 -149286.4355 298.5968 -99.6662 -67.7471 557258.1153 -16.5427 -16.4642 PRESSURE: 400600 -53.2571 14.9422 21.1615 14.9423 -54.9727 -16.4427 21.1615 -16.4428 168.54 GPRESSURE: 400600 23.5066 43.7878 -44.2211 23.9227 -68.9378 29.3999 89.5586 -7.80492 197.191 PRESSAVG: 400600 -5.50847 9.39977 -25.9669 9.39977 -12.8713 -21.7844 -25.967 -21.7844 8.26451 GPRESSAVG: 400600 -5.86717 9.35751 -25.6126 8.84068 -11.4543 -21.5287 -24.6866 -23.6303 6.90431 TIMING: 400600 CPU: 1200.21, 0.00299603/step Wall: 1200.21, 0.00299603/step, 3.82777 hours remaining, 207.593750 MB of memory in use. ENERGY: 400600 714.0554 2101.8960 1947.2078 112.7610 -205990.4010 17779.3318 0.0000 0.0000 34064.8417 -149270.3072 297.4967 -183335.1490 -149167.9331 298.7696 20.1035 50.5867 556966.0270 -3.3717 -3.4724 PRESSURE: 400800 -333.238 -101.74 29.5002 -101.741 -45.7973 -69.0342 29.502 -69.0347 66.6263 GPRESSURE: 400800 -282.752 -94.1062 -5.62242 -109.964 11.0044 -87.7411 78.0421 -9.91461 66.4756 PRESSAVG: 400800 -70.3267 14.8534 -41.7364 14.8533 15.5468 -7.59225 -41.7365 -7.59223 78.251 GPRESSAVG: 400800 -69.9022 14.8867 -39.7239 14.2665 15.2566 -6.20329 -44.5136 -7.74355 78.8968 TIMING: 400800 CPU: 1200.81, 0.00300638/step Wall: 1200.81, 0.00300638/step, 3.84082 hours remaining, 207.593750 MB of memory in use. ENERGY: 400800 756.9941 2052.8296 1961.3158 124.9358 -206155.9736 17771.6815 0.0000 0.0000 34158.3217 -149329.8951 298.3131 -183488.2168 -149234.0079 298.9238 -104.1362 -68.4241 557740.8975 7.8237 8.0837 PRESSURE: 401000 27.1742 -175.871 96.4582 -175.871 222.19 116.513 96.4594 116.513 -110.807 GPRESSURE: 401000 63.3906 -187.661 9.44928 -126.455 199.734 156.654 189.42 32.5079 -34.8742 PRESSAVG: 401000 -5.11644 -25.7271 -45.0195 -25.7271 38.1716 17.3011 -45.0196 17.3011 -62.1319 GPRESSAVG: 401000 -6.59666 -25.2984 -47.3406 -27.7339 39.1655 14.7377 -43.103 17.0805 -61.8389 TIMING: 401000 CPU: 1201.41, 0.0029862/step Wall: 1201.41, 0.0029862/step, 3.81487 hours remaining, 207.593750 MB of memory in use. ENERGY: 401000 735.9096 2106.9111 1952.1598 105.8803 -206079.8924 17825.3988 0.0000 0.0000 34068.5046 -149285.1281 297.5287 -183353.6328 -149185.0936 298.2844 46.1856 76.0834 558200.3106 -9.6922 -9.7567 PRESSURE: 401200 93.9645 59.0873 -196.182 59.0874 -81.6113 152.447 -196.182 152.448 228.38 GPRESSURE: 401200 126.983 52.2313 -155.822 78.8801 -87.6896 172.504 -189.272 153.385 293.548 PRESSAVG: 401200 -17.3634 35.3139 -16.6484 35.3137 -32.6951 2.65828 -16.6485 2.65835 36.714 GPRESSAVG: 401200 -16.4408 35.1317 -15.407 37.4106 -34.361 2.51483 -17.1652 3.74665 37.8503 TIMING: 401200 CPU: 1202.01, 0.00301263/step Wall: 1202.01, 0.00301263/step, 3.84847 hours remaining, 207.593750 MB of memory in use. ENERGY: 401200 729.0254 2120.4272 1935.4229 120.0826 -206187.2551 17812.5044 0.0000 0.0000 34226.6831 -149243.1095 298.9101 -183469.7925 -149150.1073 298.9625 80.2446 110.9472 557010.9279 -4.4482 -4.3172 PRESSURE: 401400 -5.06361 -36.597 -80.8584 -36.5982 -305.685 -52.9025 -80.8592 -52.9013 206.764 GPRESSURE: 401400 -33.1174 -40.5912 -118.714 -6.05425 -187.599 -18.3226 -74.5242 -45.7983 204.105 PRESSAVG: 401400 19.884 11.2334 47.7267 11.2334 -10.455 -29.7173 47.7267 -29.7173 -10.5401 GPRESSAVG: 401400 20.3561 13.0755 48.0972 10.2692 -9.68939 -30.6941 48.0826 -29.3338 -11.3184 TIMING: 401400 CPU: 1202.61, 0.00299922/step Wall: 1202.61, 0.00299922/step, 3.83116 hours remaining, 207.593750 MB of memory in use. ENERGY: 401400 748.4298 2079.7787 1998.9435 112.1833 -206275.3735 17795.6194 0.0000 0.0000 34419.5559 -149120.8628 300.5945 -183540.4188 -149019.7154 299.5425 -34.6614 -5.5371 557636.8199 -0.3704 -0.2172 PRESSURE: 401600 -99.9371 157.059 50.7397 157.058 -54.5274 27.7952 50.7394 27.7942 -227.092 GPRESSURE: 401600 -121.601 208.769 64.5422 47.5604 -6.23291 51.4665 43.2511 124.834 -157.025 PRESSAVG: 401600 53.0679 -51.9057 4.21798 -51.9057 -41.3783 -2.59485 4.21798 -2.59485 47.8991 GPRESSAVG: 401600 53.161 -53.6758 2.65758 -50.0142 -41.2198 0.629575 3.61521 -3.60994 46.8782 TIMING: 401600 CPU: 1203.21, 0.00300717/step Wall: 1203.21, 0.00300717/step, 3.84116 hours remaining, 207.593750 MB of memory in use. ENERGY: 401600 739.5280 2102.2893 1936.5936 108.8299 -205768.7435 17554.9472 0.0000 0.0000 34198.2925 -149128.2630 298.6622 -183326.5555 -149030.9448 300.0312 -127.1856 -94.9531 560022.0454 19.8629 19.6065 PRESSURE: 401800 52.2064 66.6573 -39.3339 66.656 3.87135 -55.8442 -39.3343 -55.8451 -129.506 GPRESSURE: 401800 129.627 10.5863 -109.789 80.415 3.71995 -157.762 10.7976 -36.5877 -105.074 PRESSAVG: 401800 -8.99683 -38.7044 34.5965 -38.7044 4.48472 38.1815 34.5965 38.1815 -19.5464 GPRESSAVG: 401800 -8.45964 -38.5641 35.2576 -40.2119 3.52601 36.3398 34.7869 38.7428 -19.1127 TIMING: 401800 CPU: 1203.82, 0.00303606/step Wall: 1203.82, 0.00303606/step, 3.87789 hours remaining, 207.593750 MB of memory in use. ENERGY: 401800 736.2146 2123.8079 1969.9779 105.6040 -206535.1140 17917.0033 0.0000 0.0000 34420.7294 -149261.7769 300.6048 -183682.5063 -149165.6335 299.6862 -24.4760 9.4244 558280.6417 -8.0195 -8.0154 PRESSURE: 402000 -144.13 105.128 -115.142 105.129 22.0946 131.655 -115.143 131.656 -156.112 GPRESSURE: 402000 -158.226 164.687 -150.113 52.9996 102.098 79.7962 -121.953 157.403 -129.517 PRESSAVG: 402000 -37.2143 2.5374 13.9831 2.53737 18.2494 -23.1037 13.983 -23.1039 72.9149 GPRESSAVG: 402000 -37.7748 5.26201 13.5681 3.62575 17.9005 -24.9724 13.6644 -21.5387 72.8513 TIMING: 402000 CPU: 1204.43, 0.00301657/step Wall: 1204.43, 0.00301657/step, 3.85283 hours remaining, 207.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 402000 790.6658 2078.2308 1909.3691 112.1118 -206248.8907 17810.2003 0.0000 0.0000 34256.8871 -149291.4258 299.1739 -183548.3129 -149191.2021 299.9198 -92.7158 -61.8817 556004.7409 17.9833 17.6590 PRESSURE: 402200 42.207 -183.879 -126.922 -183.877 116.125 225.443 -126.924 225.444 -20.5051 GPRESSURE: 402200 109.4 -207.927 -141.623 -47.157 96.2968 215.839 -152.192 230.439 26.5142 PRESSAVG: 402200 30.4445 16.8601 -34.4951 16.8601 -45.5574 51.1542 -34.495 51.1543 18.3764 GPRESSAVG: 402200 29.7762 14.6957 -36.1132 16.5635 -44.1257 53.5496 -33.7753 49.9086 17.1561 TIMING: 402200 CPU: 1205.03, 0.00300035/step Wall: 1205.03, 0.00300035/step, 3.83195 hours remaining, 207.593750 MB of memory in use. ENERGY: 402200 749.6731 2125.8039 1961.0365 118.3439 -206318.2006 17761.9908 0.0000 0.0000 34366.9748 -149234.3776 300.1353 -183601.3524 -149136.6102 299.3704 45.9423 77.4037 555353.6539 1.0878 0.9355 PRESSURE: 402400 -239.64 69.2038 131.94 69.2035 -434.802 -7.77392 131.937 -7.77362 -420.065 GPRESSURE: 402400 -207.113 65.0573 178.146 40.3173 -390.318 -50.4357 94.7482 -43.5493 -405.758 PRESSAVG: 402400 29.454 -18.609 -25.0004 -18.609 -0.577542 46.3882 -25.0004 46.3882 -17.7261 GPRESSAVG: 402400 30.9577 -17.9979 -22.1727 -20.6109 -2.65122 46.9462 -26.7796 44.949 -16.5434 TIMING: 402400 CPU: 1205.62, 0.00299238/step Wall: 1205.62, 0.00299238/step, 3.8216 hours remaining, 207.593750 MB of memory in use. ENERGY: 402400 755.6406 2133.5810 1936.3511 102.4279 -205873.9244 17321.2337 0.0000 0.0000 34468.0547 -149156.6354 301.0181 -183624.6901 -149058.0371 299.5503 -364.8359 -334.3966 558033.0960 3.7168 3.9211 PRESSURE: 402600 -457.689 -129.783 -13.1898 -129.785 -97.1997 -40.9952 -13.1889 -40.9947 45.0261 GPRESSURE: 402600 -428.787 -62.9809 67.1583 -195.036 -109.408 17.35 24.3794 -61.7395 113.952 PRESSAVG: 402600 5.22811 -29.6181 58.751 -29.6181 5.63703 -20.7541 58.751 -20.754 21.8339 GPRESSAVG: 402600 5.86708 -28.2352 59.6545 -28.852 6.31422 -22.4906 57.6956 -18.0987 20.7049 TIMING: 402600 CPU: 1206.22, 0.00299139/step Wall: 1206.22, 0.00299139/step, 3.82017 hours remaining, 207.593750 MB of memory in use. ENERGY: 402600 752.2710 2096.1345 1932.3486 110.3472 -205589.4508 17485.4961 0.0000 0.0000 34321.0244 -148891.8292 299.7340 -183212.8535 -148791.4235 300.1324 -169.9544 -141.4143 557834.6739 10.8997 10.9621 PRESSURE: 402800 -25.2931 277.668 -64.5107 277.667 -79.6644 -42.7294 -64.512 -42.7284 -199.67 GPRESSURE: 402800 -31.0314 199.842 -142.638 282.357 -35.3448 -41.9298 -90.4448 -24.8374 -146.346 PRESSAVG: 402800 -40.9313 55.153 47.2271 55.153 -37.6983 27.012 47.2272 27.0121 80.859 GPRESSAVG: 402800 -42.4434 54.2832 43.6657 54.18 -37.0502 30.07 50.5429 24.8682 82.1387 TIMING: 402800 CPU: 1206.82, 0.00299091/step Wall: 1206.82, 0.00299091/step, 3.81939 hours remaining, 207.593750 MB of memory in use. ENERGY: 402800 759.0576 2080.2699 1958.9721 121.3994 -206128.9836 17865.1762 0.0000 0.0000 34392.6717 -148951.4367 300.3598 -183344.1084 -148857.4043 299.8895 -101.5426 -70.9074 557976.7193 0.7431 0.8817 PRESSURE: 403000 121.996 -18.2554 -21.4438 -18.2545 248.016 0.884104 -21.444 0.883565 198.689 GPRESSURE: 403000 123.427 10.1764 -70.1611 -31.8903 368.229 -2.18391 -14.1703 67.1965 166.272 PRESSAVG: 403000 -10.1179 8.21336 21.7332 8.21343 6.93426 -42.374 21.7332 -42.374 40.2934 GPRESSAVG: 403000 -10.7676 6.1894 21.7725 12.1528 8.4938 -43.7028 21.6384 -41.6056 39.1192 TIMING: 403000 CPU: 1207.42, 0.00300836/step Wall: 1207.42, 0.00300836/step, 3.84151 hours remaining, 207.593750 MB of memory in use. ENERGY: 403000 692.5649 2059.5059 1974.7565 101.5285 -206094.4789 17919.1691 0.0000 0.0000 34143.8651 -149203.0890 298.1869 -183346.9540 -149112.2823 299.7720 189.5670 219.3095 556415.9228 12.3699 12.2818 PRESSURE: 403200 -259.536 73.6927 -57.0507 73.694 80.5528 -75.7575 -57.0505 -75.7576 26.3233 GPRESSURE: 403200 -205.745 43.4244 -82.2857 124.528 119.902 -7.6544 5.26831 -115.719 41.1565 PRESSAVG: 403200 25.8897 -18.2904 61.8595 -18.2904 20.5462 10.5657 61.8595 10.5656 -0.0929877 GPRESSAVG: 403200 26.503 -18.1206 61.5749 -21.6442 19.4735 11.506 63.4569 11.941 -0.264458 TIMING: 403200 CPU: 1208.02, 0.00301556/step Wall: 1208.02, 0.00301556/step, 3.85054 hours remaining, 207.593750 MB of memory in use. ENERGY: 403200 748.8216 2091.1054 1933.6111 106.0900 -206418.7839 17933.7432 0.0000 0.0000 34331.6372 -149273.7754 299.8267 -183605.4126 -149179.5513 298.8152 -50.8865 -14.8955 558978.5314 15.4477 15.2373 PRESSURE: 403400 -351.415 -29.9943 283.171 -29.9951 68.7467 -85.6818 283.171 -85.6791 -242.56 GPRESSURE: 403400 -291.103 47.939 315.883 25.406 37.0964 -88.3819 252.51 -95.9255 -185.333 PRESSAVG: 403400 -20.2355 10.4297 19.8952 10.4297 -31.8843 -1.06276 19.8952 -1.06284 -16.1185 GPRESSAVG: 403400 -19.9425 10.8838 22.0351 12.4591 -33.497 -2.41284 19.1707 -2.28896 -14.855 TIMING: 403400 CPU: 1208.63, 0.00303789/step Wall: 1208.63, 0.00303789/step, 3.87888 hours remaining, 207.593750 MB of memory in use. ENERGY: 403400 760.2788 2110.6249 1962.2011 111.8492 -205945.4189 17611.5769 0.0000 0.0000 34265.4761 -149123.4120 299.2489 -183388.8880 -149030.9577 298.9208 -175.0762 -146.4465 559695.2324 -22.7461 -22.7649 PRESSURE: 403600 -162.673 216.666 -171.726 216.666 195.785 -41.2738 -171.728 -41.2748 149.402 GPRESSURE: 403600 -111.798 123.069 -129.547 238.773 236.889 72.1625 -177.039 -47.3886 152.417 PRESSAVG: 403600 -33.1847 61.4217 42.2507 61.4218 9.23086 -44.8558 42.2507 -44.8556 -4.28183 GPRESSAVG: 403600 -33.1513 60.6069 41.7752 60.2072 10.2124 -43.8332 39.966 -45.2362 -5.44214 TIMING: 403600 CPU: 1209.24, 0.00302063/step Wall: 1209.24, 0.00302063/step, 3.85668 hours remaining, 207.593750 MB of memory in use. ENERGY: 403600 726.2925 2108.1839 1949.6111 107.2882 -205941.7344 17795.0701 0.0000 0.0000 34047.8662 -149207.4224 297.3485 -183255.2886 -149107.7723 299.3989 60.8378 92.5027 556923.5543 -9.4119 -9.4603 PRESSURE: 403800 -54.9622 -24.0773 78.8387 -24.0772 -101.823 -11.6323 78.8384 -11.6327 -149.554 GPRESSURE: 403800 -6.47892 -82.2599 51.9334 6.018 -28.4502 -11.3717 136.389 11.4593 -175.249 PRESSAVG: 403800 27.7534 39.5481 -1.86984 39.5481 -5.49453 -51.0705 -1.86968 -51.0706 -13.3264 GPRESSAVG: 403800 26.5149 39.9967 -0.983465 40.2969 -4.71475 -51.8981 -0.545355 -50.4604 -13.2877 TIMING: 403800 CPU: 1209.84, 0.00301228/step Wall: 1209.84, 0.00301228/step, 3.84584 hours remaining, 207.593750 MB of memory in use. ENERGY: 403800 764.8823 2054.1985 1953.0494 103.8550 -205975.3368 17657.3382 0.0000 0.0000 34317.2984 -149124.7151 299.7015 -183442.0135 -149030.5488 299.4592 -102.1133 -70.0594 557249.5610 2.9775 2.8375 PRESSURE: 404000 144.75 177.52 4.63193 177.52 -61.3894 69.7497 4.63146 69.7475 187.775 GPRESSURE: 404000 109.675 229.972 28.3218 122.692 10.2009 19.0294 -61.2929 75.055 247.518 PRESSAVG: 404000 10.3814 29.1096 3.50777 29.1096 -49.0975 11.4913 3.50779 11.4914 51.4719 GPRESSAVG: 404000 11.3838 32.5241 0.425429 26.814 -49.5889 11.7568 3.24001 12.2944 51.8014 TIMING: 404000 CPU: 1210.44, 0.0029832/step Wall: 1210.44, 0.0029832/step, 3.80855 hours remaining, 207.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 404000 738.7244 2054.7369 1937.4008 113.4419 -206400.3043 18090.3944 0.0000 0.0000 34282.5616 -149183.0443 299.3981 -183465.6059 -149086.7895 298.8118 90.3787 122.4646 558329.8266 4.2519 4.5321 PRESSURE: 404200 321.702 84.8261 82.8621 84.8268 44.5242 -11.9874 82.8624 -11.9883 258.25 GPRESSURE: 404200 363.9 54.8424 108.583 94.2655 42.1787 21.0145 22.9477 -51.3998 308.854 PRESSAVG: 404200 -17.0588 33.9621 11.9443 33.9621 -14.4827 -12.8986 11.9442 -12.8986 47.7235 GPRESSAVG: 404200 -17.9319 31.7617 12.6919 35.5684 -15.0174 -14.7847 10.9617 -13.2668 48.9719 TIMING: 404200 CPU: 1211.03, 0.0029825/step Wall: 1211.03, 0.0029825/step, 3.80749 hours remaining, 207.593750 MB of memory in use. ENERGY: 404200 713.6531 2050.8917 1936.2360 103.9632 -206376.3028 18189.9290 0.0000 0.0000 34200.7131 -149180.9166 298.6833 -183381.6297 -149083.5055 299.3672 208.1588 238.3107 557585.2017 5.3940 5.3409 LDB: ============= START OF LOAD BALANCING ============== 1214.55 LDB: ============== END OF LOAD BALANCING =============== 1214.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1214.55 LDB: ============= START OF LOAD BALANCING ============== 1214.86 LDB: Largest compute 4773 load 0.029565 is 25.1% of average load 0.117870 LDB: Average compute 0.001721 is 1.5% of average load 0.117870 LDB: TIME 1214.86 LOAD: AVG 0.11787 MAX 0.21093 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.797 MB LDB: TIME 1214.86 LOAD: AVG 0.11787 MAX 0.21093 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.797 MB LDB: TIME 1214.86 LOAD: AVG 0.11787 MAX 0.21093 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.797 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1214.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1214.86 PRESSURE: 404400 -465.35 -115.098 -55.1798 -115.099 -42.7407 61.2202 -55.18 61.2192 176.986 GPRESSURE: 404400 -342.776 -128.74 -50.7707 -104.76 -46.9586 63.1007 -49.5401 56.42 163.814 PRESSAVG: 404400 -54.5797 6.95799 12.3909 6.95806 37.8531 -42.6712 12.3909 -42.6712 -3.13895 GPRESSAVG: 404400 -53.6286 6.47386 14.1976 7.13085 37.3686 -41.8958 13.8546 -42.2015 -3.36257 TIMING: 404400 CPU: 1211.65, 0.00307718/step Wall: 1211.65, 0.00307718/step, 3.92819 hours remaining, 208.050781 MB of memory in use. ENERGY: 404400 755.0038 2083.0200 1948.9446 106.9630 -205757.4716 17612.4018 0.0000 0.0000 34150.9477 -149100.1907 298.2487 -183251.1384 -149008.2233 299.9964 -110.3684 -75.3070 558367.6753 -6.6218 -6.5408 PRESSURE: 404600 -119.46 3.57622 276.772 3.5759 -63.1569 -46.4119 276.772 -46.4118 -146.396 GPRESSURE: 404600 -101.521 145.201 294.924 -57.1823 -18.3029 -15.3973 305.928 -134.979 -112.674 PRESSAVG: 404600 -16.9157 8.61289 48.4033 8.61283 59.9497 -17.9173 48.4033 -17.9173 17.3233 GPRESSAVG: 404600 -15.6036 9.7561 48.6954 6.64673 59.4018 -17.2177 47.4138 -18.1123 17.1687 TIMING: 404600 CPU: 1212.25, 0.00299036/step Wall: 1212.25, 0.00299036/step, 3.81719 hours remaining, 208.050781 MB of memory in use. ENERGY: 404600 757.8993 2072.6041 1909.1439 102.3061 -206005.4654 17645.5967 0.0000 0.0000 34432.1404 -149085.7750 300.7044 -183517.9154 -148992.2192 299.1545 -109.6712 -77.4992 556813.1159 20.1191 20.3223 PRESSURE: 404800 140.194 -156.21 -39.9176 -156.21 260.531 63.8648 -39.9158 63.8642 23.8818 GPRESSURE: 404800 131.465 -131.545 6.4508 -183.288 295.004 -24.8537 -88.8428 120.459 86.6002 PRESSAVG: 404800 58.1041 3.20503 35.1835 3.20484 -23.0594 -2.05322 35.1835 -2.05333 -8.72109 GPRESSAVG: 404800 56.1901 1.49012 34.2558 4.07952 -21.5584 -1.62085 34.8811 -4.34097 -8.44877 TIMING: 404800 CPU: 1212.85, 0.00300446/step Wall: 1212.85, 0.00300446/step, 3.83503 hours remaining, 208.050781 MB of memory in use. ENERGY: 404800 724.3795 2082.0490 1971.6102 112.8881 -206555.4498 18018.5289 0.0000 0.0000 34322.2530 -149323.7411 299.7448 -183645.9941 -149232.7795 299.0415 141.5357 171.0233 555877.4094 8.7745 8.7276 PRESSURE: 405000 -71.3377 -93.1664 71.6701 -93.1676 66.8923 -103.658 71.67 -103.658 348.282 GPRESSURE: 405000 -52.5955 -130.295 102.666 -39.463 77.3137 -46.2241 -62.4299 -12.5561 415.4 PRESSAVG: 405000 11.8656 -12.6521 -3.52331 -12.6521 -16.8889 -24.3512 -3.52317 -24.3512 -12.5806 GPRESSAVG: 405000 12.6505 -12.637 -2.36245 -12.1059 -17.3817 -23.8938 -2.45242 -22.7109 -12.3504 TIMING: 405000 CPU: 1213.45, 0.00301934/step Wall: 1213.45, 0.00301934/step, 3.85385 hours remaining, 208.050781 MB of memory in use. ENERGY: 405000 731.0303 2059.1169 1965.3114 122.0566 -206266.2782 17915.6737 0.0000 0.0000 34213.5438 -149259.5454 298.7954 -183473.0893 -149159.0541 299.1611 114.6121 146.7061 558020.1921 -5.8680 -5.6939 PRESSURE: 405200 -273.772 23.2861 37.9516 23.2853 -227.709 -105.751 37.953 -105.751 -385.202 GPRESSURE: 405200 -252.78 56.2971 69.4938 5.39459 -154.545 -141.45 95.5566 -142.125 -389.398 PRESSAVG: 405200 7.9093 -51.0888 9.39755 -51.0888 0.25034 -63.4769 9.39751 -63.4769 52.119 GPRESSAVG: 405200 7.28152 -50.6498 11.0352 -52.824 0.77688 -64.7756 9.92122 -63.6383 51.8401 TIMING: 405200 CPU: 1214.05, 0.00302221/step Wall: 1214.05, 0.00302221/step, 3.85734 hours remaining, 208.050781 MB of memory in use. ENERGY: 405200 744.9834 2076.1215 1962.1050 114.6493 -205726.3221 17298.2461 0.0000 0.0000 34071.7855 -149458.4312 297.5574 -183530.2167 -149361.5592 299.4355 -295.5612 -265.5742 557428.5869 20.0929 19.9662 PRESSURE: 405400 -57.2214 12.3512 3.83239 12.3516 -151.575 73.9487 3.83291 73.9492 -182.49 GPRESSURE: 405400 -29.0699 24.5026 -6.3166 -2.49521 -87.2846 121.213 78.1425 97.1919 -183.038 PRESSAVG: 405400 35.1591 20.0669 11.0481 20.0669 -12.385 -18.9653 11.048 -18.9653 -66.8201 GPRESSAVG: 405400 33.7963 19.1475 10.7401 20.008 -11.4521 -18.7069 9.11293 -17.2981 -66.9008 TIMING: 405400 CPU: 1214.66, 0.00303056/step Wall: 1214.66, 0.00303056/step, 3.86783 hours remaining, 208.050781 MB of memory in use. ENERGY: 405400 768.1401 2070.5394 1924.4446 116.3968 -206293.6040 17747.8576 0.0000 0.0000 34079.6380 -149586.5876 297.6260 -183666.2256 -149488.1349 298.5486 -130.4289 -99.7976 555517.4588 -14.6820 -14.8522 PRESSURE: 405600 -150.327 -74.0333 171.377 -74.0354 -122.31 112.972 171.377 112.972 30.6777 GPRESSURE: 405600 -53.4648 -30.5759 147.783 -97.0375 -159.279 113.017 186.407 168.186 52.4418 PRESSAVG: 405600 -11.0392 -8.8126 46.7811 -8.81264 -90.0526 8.0868 46.7812 8.08695 86.6174 GPRESSAVG: 405600 -8.6626 -7.85079 45.0866 -5.32314 -91.6558 7.80794 47.713 8.18241 85.9199 TIMING: 405600 CPU: 1215.27, 0.00302446/step Wall: 1215.27, 0.00302446/step, 3.85988 hours remaining, 208.050781 MB of memory in use. ENERGY: 405600 755.2072 2074.0757 1951.6060 108.6935 -206394.7448 17813.6127 0.0000 0.0000 33993.1333 -149698.4165 296.8705 -183691.5497 -149613.5612 298.2245 -80.6530 -53.4340 555767.9156 -4.8248 -4.7995 PRESSURE: 405800 103.342 89.2292 3.59522 89.23 -114.243 13.2091 3.59634 13.21 124.783 GPRESSURE: 405800 93.5636 126.18 83.6389 56.088 -69.4226 -1.54632 84.4802 -25.7563 181.784 PRESSAVG: 405800 -36.7274 -25.7727 48.5016 -25.7726 -20.3034 45.6778 48.5016 45.6778 73.7637 GPRESSAVG: 405800 -37.7676 -24.4176 48.4834 -26.9847 -19.9153 45.3523 49.5433 45.0495 74.2025 TIMING: 405800 CPU: 1215.87, 0.00304095/step Wall: 1215.87, 0.00304095/step, 3.88076 hours remaining, 208.050781 MB of memory in use. ENERGY: 405800 748.5924 2090.9127 1946.5722 113.6964 -206505.1023 17792.6074 0.0000 0.0000 34215.8192 -149596.9021 298.8153 -183812.7213 -149512.8660 298.2724 37.9605 68.6418 555350.5963 5.5777 5.5065 PRESSURE: 406000 -4.87634 96.4064 325.42 96.4064 -129.791 -66.4611 325.42 -66.4619 69.9143 GPRESSURE: 406000 44.8622 50.3568 332.229 169.395 -68.3815 0.65615 311.935 -67.8359 65.5943 PRESSAVG: 406000 -53.3391 -50.8117 48.2628 -50.8116 -19.7885 15.4675 48.2629 15.4677 69.3425 GPRESSAVG: 406000 -52.0979 -51.3102 48.8179 -51.3905 -21.1026 16.6606 48.6648 15.5539 69.7057 TIMING: 406000 CPU: 1216.48, 0.00300693/step Wall: 1216.48, 0.00300693/step, 3.83718 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: 406000 726.0221 2042.7387 1954.5394 99.8274 -206439.2947 17794.3604 0.0000 0.0000 34324.2745 -149497.5322 299.7624 -183821.8067 -149390.6045 298.5515 -21.5843 14.0250 555374.2369 -1.2617 -1.1649 PRESSURE: 406200 -58.3474 -118.354 -15.3686 -118.354 -186.192 -175.111 -15.3678 -175.112 144.95 GPRESSURE: 406200 -28.4734 -127.603 17.3171 -145.138 -197.859 -142.454 -29.6082 -238.548 214.46 PRESSAVG: 406200 -36.4832 -48.3425 -17.5613 -48.3426 -2.49703 -21.3351 -17.5613 -21.3351 53.6479 GPRESSAVG: 406200 -37.1908 -50.309 -18.9761 -46.7264 -1.94467 -21.7296 -18.7621 -20.8404 53.3741 TIMING: 406200 CPU: 1217.08, 0.00300354/step Wall: 1217.08, 0.00300354/step, 3.83268 hours remaining, 208.050781 MB of memory in use. ENERGY: 406200 726.4919 2090.9743 1923.8541 113.8877 -205983.5350 17579.6277 0.0000 0.0000 34252.2025 -149296.4968 299.1330 -183548.6993 -149193.1549 298.1879 -33.1963 -3.9576 556624.5704 4.8892 4.7462 PRESSURE: 406400 -311.221 -69.2565 -94.9653 -69.2565 -148.387 63.2883 -94.964 63.2858 24.541 GPRESSURE: 406400 -260.969 -115.065 -157.813 -66.7299 -177.227 67.5575 -74.9526 78.5072 102.31 PRESSAVG: 406400 -2.55214 -55.2352 -44.2541 -55.2352 -13.1173 -39.5935 -44.2541 -39.5937 -7.61673 GPRESSAVG: 406400 -3.25308 -54.8365 -44.7773 -56.7806 -12.7181 -40.4689 -43.0384 -38.0066 -7.52879 TIMING: 406400 CPU: 1217.68, 0.00299437/step Wall: 1217.68, 0.00299437/step, 3.82081 hours remaining, 208.050781 MB of memory in use. ENERGY: 406400 721.1623 2076.9057 1965.7088 108.6342 -205855.8039 17616.8550 0.0000 0.0000 34117.1796 -149249.3583 297.9538 -183366.5379 -149157.2815 298.7447 -145.0223 -111.9619 558699.6196 -7.7620 -7.8333 PRESSURE: 406600 -52.886 -130.029 49.0418 -130.03 -24.2878 -168.723 49.0414 -168.72 -389.756 GPRESSURE: 406600 -6.14752 -101.467 60.6239 -135.752 -40.1113 -183.649 79.6286 -141.673 -325.426 PRESSAVG: 406600 -36.7588 -14.8628 -44.3389 -14.8628 -26.8804 -19.7969 -44.339 -19.797 30.2563 GPRESSAVG: 406600 -37.1559 -15.9545 -43.7787 -14.6833 -28.0506 -18.4164 -45.3951 -21.784 31.2601 TIMING: 406600 CPU: 1218.27, 0.00298405/step Wall: 1218.27, 0.00298405/step, 3.80748 hours remaining, 208.050781 MB of memory in use. ENERGY: 406600 724.3183 2077.2111 1925.9760 107.5554 -205714.9188 17494.2709 0.0000 0.0000 34089.7400 -149295.8471 297.7142 -183385.5871 -149195.3635 298.8428 -155.6432 -123.8948 558932.9948 -11.1276 -11.3155 PRESSURE: 406800 312.686 43.1756 -22.6855 43.1752 142.423 33.8765 -22.6861 33.8754 222.211 GPRESSURE: 406800 347.645 -2.71992 -28.2746 84.2092 158.865 117.593 56.7472 50.5688 254.561 PRESSAVG: 406800 63.4301 40.4909 -22.9624 40.4908 10.4631 29.3148 -22.9625 29.3147 -72.2317 GPRESSAVG: 406800 63.0942 42.4986 -19.7373 40.6411 11.6703 30.181 -24.921 27.68 -72.9192 TIMING: 406800 CPU: 1218.87, 0.00297334/step Wall: 1218.87, 0.00297334/step, 3.79365 hours remaining, 208.050781 MB of memory in use. ENERGY: 406800 707.8592 2090.1083 1933.4407 108.8803 -206246.9092 17966.6929 0.0000 0.0000 34287.3786 -149152.5492 299.4402 -183439.9277 -149053.4743 299.2355 225.7731 253.6905 557011.7595 0.5538 0.6151 PRESSURE: 407000 42.5515 -12.857 7.01181 -12.8569 168.248 -98.2422 7.01115 -98.2416 -49.29 GPRESSURE: 407000 123.579 -92.9618 72.6689 38.18 186.256 -71.8338 28.3183 -83.374 -47.8839 PRESSAVG: 407000 32.2221 31.3304 -11.3456 31.3304 -4.76101 -17.0126 -11.3456 -17.0126 -12.7218 GPRESSAVG: 407000 33.3907 29.1979 -15.0819 31.8494 -5.06964 -17.8128 -9.74712 -14.8071 -13.0655 TIMING: 407000 CPU: 1219.46, 0.00298587/step Wall: 1219.46, 0.00298587/step, 3.80947 hours remaining, 208.050781 MB of memory in use. ENERGY: 407000 717.7875 2067.1323 1948.3859 110.6014 -206070.9448 17813.5810 0.0000 0.0000 34207.2448 -149206.2120 298.7404 -183413.4568 -149114.5270 299.2299 53.8364 87.3169 555279.5945 4.9131 5.0852 PRESSURE: 407200 -149.454 -19.2603 59.3192 -19.2597 101.972 38.2091 59.3196 38.2105 -96.572 GPRESSURE: 407200 -169.451 -48.591 -19.2563 56.4533 127.311 -20.4398 108.437 58.1037 -13.4116 PRESSAVG: 407200 10.1367 -20.8403 -12.1522 -20.8402 -27.2848 -30.0797 -12.1521 -30.0798 5.70919 GPRESSAVG: 407200 9.05064 -18.8558 -10.7192 -20.9671 -26.487 -31.6677 -12.5015 -31.0998 6.08261 TIMING: 407200 CPU: 1220.06, 0.00299339/step Wall: 1220.06, 0.00299339/step, 3.81891 hours remaining, 208.050781 MB of memory in use. ENERGY: 407200 742.9739 2070.9175 1952.6403 105.0121 -206458.7080 17855.0152 0.0000 0.0000 34457.0977 -149275.0514 300.9224 -183732.1491 -149179.7737 299.2913 -48.0178 -18.5173 556623.4899 -3.8130 -3.7846 PRESSURE: 407400 -115.45 -19.9308 -107.002 -19.9308 -19.0382 -87.8723 -107.001 -87.8742 208.751 GPRESSURE: 407400 -82.5125 -0.292758 -139.497 -114.659 16.769 -89.6309 -55.1479 -84.8985 236.17 PRESSAVG: 407400 -10.1469 5.55944 8.2304 5.55944 29.8397 1.70022 8.23042 1.70017 -10.7032 GPRESSAVG: 407400 -9.7517 5.45075 5.74837 5.55211 29.1711 3.21315 9.47818 2.40502 -11.2702 TIMING: 407400 CPU: 1220.67, 0.00303138/step Wall: 1220.67, 0.00303138/step, 3.8672 hours remaining, 208.050781 MB of memory in use. ENERGY: 407400 704.6526 2113.5434 1959.5716 109.8915 -206141.9541 17866.2764 0.0000 0.0000 34194.7223 -149193.2964 298.6310 -183388.0187 -149097.0538 298.8571 24.7543 56.8089 558265.4262 2.9965 2.7164 PRESSURE: 407600 67.8807 112.322 63.5853 112.322 32.2355 16.7361 63.5869 16.7377 18.1849 GPRESSURE: 407600 110.399 94.3092 88.2006 151.32 45.9424 87.0498 80.7646 -5.34837 57.703 PRESSAVG: 407600 14.3027 55.1463 38.7651 55.1463 34.2442 4.41847 38.7652 4.41844 -10.1989 GPRESSAVG: 407600 14.4279 54.5288 37.6949 56.1382 33.8582 2.64528 39.4782 3.1508 -10.5653 TIMING: 407600 CPU: 1221.27, 0.00301089/step Wall: 1221.27, 0.00301089/step, 3.8409 hours remaining, 208.050781 MB of memory in use. ENERGY: 407600 771.4268 2090.2183 1938.8989 99.9184 -206535.7783 18120.8152 0.0000 0.0000 34243.2692 -149271.2316 299.0550 -183514.5008 -149180.8601 298.6394 39.4337 71.3480 557848.1450 12.7827 12.5736 PRESSURE: 407800 -100.152 89.1607 -99.9316 89.1617 -121.881 81.5074 -99.9324 81.5063 -60.9907 GPRESSURE: 407800 -77.8266 34.0453 -20.4735 148.583 -121.207 57.7898 -86.634 54.3171 6.54193 PRESSAVG: 407800 16.4895 16.7667 -10.3393 16.7666 -26.139 7.78015 -10.3393 7.78014 4.65063 GPRESSAVG: 407800 16.1577 20.5391 -7.79616 13.1648 -25.1674 8.59179 -11.0384 10.3354 4.36493 TIMING: 407800 CPU: 1221.88, 0.00302247/step Wall: 1221.88, 0.00302247/step, 3.85549 hours remaining, 208.050781 MB of memory in use. ENERGY: 407800 736.9574 2037.0695 1919.2521 111.8363 -205885.7796 17670.5382 0.0000 0.0000 34375.9927 -149034.1335 300.2141 -183410.1262 -148935.3782 299.0146 -94.3410 -64.1640 560952.1910 -1.6663 -1.5483 PRESSURE: 408000 -202.886 -39.4091 -122.289 -39.4102 -74.6856 128.313 -122.289 128.313 -73.1092 GPRESSURE: 408000 -149.155 -75.162 -186.641 -42.2755 -40.1498 112.508 -58.8032 145.326 -61.4553 PRESSAVG: 408000 3.12445 5.1279 -58.6498 5.12782 -30.9553 86.7242 -58.6498 86.7241 22.7169 GPRESSAVG: 408000 3.30372 0.249352 -57.3123 8.23278 -31.5713 87.5206 -58.3128 84.0955 22.9645 TIMING: 408000 CPU: 1222.47, 0.00297863/step Wall: 1222.47, 0.00297863/step, 3.79941 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: 408000 770.8240 2056.0811 1947.4901 107.2765 -205861.1213 17684.9664 0.0000 0.0000 34266.2143 -149028.2690 299.2554 -183294.4833 -148925.9037 298.9213 -116.8937 -83.5867 559316.7081 -1.7047 -1.7677 PRESSURE: 408200 -29.8857 -37.3171 61.0261 -37.3171 -276.315 158.739 61.0263 158.739 32.9361 GPRESSURE: 408200 -19.3837 -52.6276 128.987 -71.7851 -211.204 154.765 57.0298 134.601 63.6928 PRESSAVG: 408200 19.5806 18.4424 -16.2865 18.4425 -39.1759 84.0557 -16.2864 84.0558 29.1975 GPRESSAVG: 408200 19.3733 20.1633 -17.3184 17.4028 -39.149 83.9803 -15.431 84.8725 29.4558 TIMING: 408200 CPU: 1223.07, 0.00297667/step Wall: 1223.07, 0.00297667/step, 3.79675 hours remaining, 208.050781 MB of memory in use. ENERGY: 408200 768.4830 2059.8952 1944.7166 103.9789 -205883.9644 17686.4239 0.0000 0.0000 34102.9007 -149217.5662 297.8291 -183320.4669 -149119.4082 299.3502 -91.0882 -55.6318 557966.4253 3.2007 3.2267 LDB: ============= START OF LOAD BALANCING ============== 1226.58 LDB: ============== END OF LOAD BALANCING =============== 1226.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1226.58 LDB: ============= START OF LOAD BALANCING ============== 1226.88 LDB: Largest compute 4800 load 0.028723 is 24.4% of average load 0.117912 LDB: Average compute 0.001728 is 1.5% of average load 0.117912 LDB: TIME 1226.88 LOAD: AVG 0.117912 MAX 0.209243 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.621 MB LDB: TIME 1226.88 LOAD: AVG 0.117912 MAX 0.209243 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.684 MB LDB: TIME 1226.88 LOAD: AVG 0.117912 MAX 0.209243 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.684 MB LDB: ============== END OF LOAD BALANCING =============== 1226.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1226.89 PRESSURE: 408400 -261.332 -98.3829 -144.351 -98.3837 62.6424 -32.0096 -144.351 -32.0088 148.529 GPRESSURE: 408400 -231.72 -129.715 -83.2945 -40.7867 76.224 -63.9756 -176.02 -19.5353 198.24 PRESSAVG: 408400 -7.00751 -65.0627 24.4917 -65.0627 -47.7482 19.8089 24.4917 19.8089 43.4306 GPRESSAVG: 408400 -7.17834 -64.1824 24.6378 -64.4924 -48.1957 18.2367 23.3646 20.6891 44.5585 TIMING: 408400 CPU: 1223.67, 0.00303076/step Wall: 1223.67, 0.00303076/step, 3.86556 hours remaining, 208.417969 MB of memory in use. ENERGY: 408400 734.9149 2088.1186 1961.8303 110.8092 -206400.4977 17930.9175 0.0000 0.0000 34348.8946 -149225.0126 299.9774 -183573.9072 -149125.2687 299.3485 -16.7200 14.2482 558123.6270 -3.7750 -3.6052 PRESSURE: 408600 45.6892 109.617 97.2771 109.618 -104.213 164.465 97.2778 164.466 -245.151 GPRESSURE: 408600 123.331 152.453 65.8774 -11.9126 -141.613 4.44792 103.239 204.893 -186.13 PRESSAVG: 408600 -59.0086 -43.2085 -8.73201 -43.2085 10.45 19.4011 -8.73207 19.4011 18.9628 GPRESSAVG: 408600 -58.9758 -44.3583 -10.5681 -44.2613 10.8043 19.3111 -9.41379 19.6314 18.2004 TIMING: 408600 CPU: 1224.27, 0.00296835/step Wall: 1224.27, 0.00296835/step, 3.7858 hours remaining, 208.562500 MB of memory in use. ENERGY: 408600 743.1333 2049.9152 1953.1858 117.9413 -206247.0698 17653.3118 0.0000 0.0000 34416.6540 -149312.9284 300.5692 -183729.5824 -149215.3749 299.4843 -101.2250 -68.1375 557684.8657 -9.8653 -9.9904 PRESSURE: 408800 46.2259 -38.7966 4.32607 -38.7981 13.9569 114.36 4.32726 114.361 119.702 GPRESSURE: 408800 61.5562 -112.016 56.1463 90.7446 76.6273 133.899 -22.3241 87.9668 135.059 PRESSAVG: 408800 -6.86386 -18.2094 29.0997 -18.2094 -11.8447 -2.02869 29.0996 -2.02867 17.1609 GPRESSAVG: 408800 -6.589 -17.4625 28.8348 -20.6954 -11.3766 -1.57082 29.53 -3.74329 16.8807 TIMING: 408800 CPU: 1224.86, 0.00299242/step Wall: 1224.86, 0.00299242/step, 3.81633 hours remaining, 208.562500 MB of memory in use. ENERGY: 408800 715.7803 2084.2656 1932.1551 115.5360 -206762.9182 18137.0929 0.0000 0.0000 34473.5494 -149304.5389 301.0661 -183778.0883 -149208.0681 299.2042 59.9617 91.0808 557696.7189 -0.5159 -0.3616 PRESSURE: 409000 -221.902 -195.034 -145.624 -195.035 6.18902 -34.5191 -145.625 -34.5195 -105.533 GPRESSURE: 409000 -263.319 -199.17 -79.7428 -218.321 87.9292 -8.36064 -137.123 -46.2719 -46.3341 PRESSAVG: 409000 -53.6846 -44.7624 1.33484 -44.7623 9.85562 -18.0934 1.33482 -18.0934 50.1716 GPRESSAVG: 409000 -53.587 -46.2347 4.082 -41.3332 10.1615 -18.0831 -0.420296 -17.7333 49.3888 TIMING: 409000 CPU: 1225.46, 0.00298168/step Wall: 1225.46, 0.00298168/step, 3.80247 hours remaining, 208.562500 MB of memory in use. ENERGY: 409000 724.3567 2034.3357 1916.4555 126.0683 -205610.5454 17706.8162 0.0000 0.0000 33961.3258 -149141.1873 296.5927 -183102.5131 -149049.0463 299.2850 -107.0822 -73.9079 559377.3500 2.1142 1.9878 PRESSURE: 409200 -89.734 96.5219 -59.7666 96.5223 -180.904 -69.99 -59.7676 -69.9893 -18.2416 GPRESSURE: 409200 -14.1028 115.328 -60.7451 102.541 -136.712 -79.6892 -155.2 -69.7018 -38.9589 PRESSAVG: 409200 -63.2601 -34.7863 8.87835 -34.7863 7.10766 4.7982 8.87826 4.79816 10.8036 GPRESSAVG: 409200 -64.0449 -32.1737 9.12901 -35.9266 7.27962 4.05463 9.47898 7.29798 11.4338 TIMING: 409200 CPU: 1226.07, 0.00302602/step Wall: 1226.07, 0.00302602/step, 3.85885 hours remaining, 208.562500 MB of memory in use. ENERGY: 409200 759.3370 2068.9737 1916.8120 117.1258 -206173.3334 17740.1625 0.0000 0.0000 34253.1920 -149317.7304 299.1416 -183570.9224 -149217.8751 299.1168 -96.2933 -63.2578 558033.1896 -15.1163 -15.1105 PRESSURE: 409400 87.566 -192.974 173.556 -192.974 -46.1818 177.223 173.556 177.224 10.0575 GPRESSURE: 409400 93.5858 -172.308 156.118 -138.577 -44.9155 268.279 208.558 108.067 101.909 PRESSAVG: 409400 -29.2815 -47.7667 9.59373 -47.7667 10.2874 -5.98093 9.59376 -5.98087 27.0951 GPRESSAVG: 409400 -28.3331 -48.8327 7.94695 -47.9341 9.86286 -4.11863 11.6414 -8.17861 26.8032 TIMING: 409400 CPU: 1226.67, 0.00300299/step Wall: 1226.67, 0.00300299/step, 3.82932 hours remaining, 208.562500 MB of memory in use. ENERGY: 409400 750.8995 2056.1802 1936.2737 107.0831 -206089.4886 17710.2683 0.0000 0.0000 34323.6852 -149205.0987 299.7573 -183528.7838 -149104.1782 298.7469 17.1472 50.1931 557525.1216 2.7003 2.7776 PRESSURE: 409600 150.264 -126.227 116.887 -126.227 29.2356 2.87834 116.887 2.87994 -12.732 GPRESSURE: 409600 196.821 -98.5984 107.912 -118.493 100.395 -40.282 64.7987 -14.6489 -28.2036 PRESSAVG: 409600 -12.3456 -55.2072 -6.69785 -55.2072 6.37618 24.7336 -6.69794 24.7336 56.2899 GPRESSAVG: 409600 -12.4598 -55.9171 -4.53293 -56.5633 6.44435 25.3433 -7.72205 23.0005 56.3214 TIMING: 409600 CPU: 1227.26, 0.00296212/step Wall: 1227.26, 0.00296212/step, 3.77703 hours remaining, 208.562500 MB of memory in use. ENERGY: 409600 715.2227 2028.5972 1936.1342 110.5643 -206509.2045 18078.6149 0.0000 0.0000 34481.2506 -149158.8204 301.1333 -183640.0711 -149064.1253 299.4129 55.5891 89.6710 556544.8068 16.7735 16.7686 PRESSURE: 409800 121.956 -22.4597 -85.2429 -22.4594 109.189 -216.494 -85.244 -216.495 -79.7965 GPRESSURE: 409800 101.474 -42.0179 -26.6355 36.5429 93.9355 -253.573 -17.7907 -182.318 48.8075 PRESSAVG: 409800 49.5443 -31.1494 60.0086 -31.1494 31.0364 24.7889 60.0086 24.789 -61.0294 GPRESSAVG: 409800 48.266 -32.6919 54.9793 -29.5096 31.6083 22.8728 61.2555 27.0984 -60.4756 TIMING: 409800 CPU: 1227.86, 0.00299296/step Wall: 1227.86, 0.00299296/step, 3.81619 hours remaining, 208.562500 MB of memory in use. ENERGY: 409800 762.5432 2054.4556 1939.6645 101.6547 -206439.2107 18023.2158 0.0000 0.0000 34419.6591 -149138.0178 300.5954 -183557.6769 -149044.7143 300.0517 50.4497 81.4056 557925.3107 6.5171 6.4663 PRESSURE: 410000 141.646 15.7845 52.618 15.7846 -26.9014 22.9014 52.617 22.9021 186.461 GPRESSURE: 410000 173.201 22.9824 -48.8354 21.2597 75.5036 -0.180017 93.8664 32.6119 146.15 PRESSAVG: 410000 24.2511 -11.1488 4.20518 -11.1489 -10.6713 -36.8823 4.20523 -36.8824 8.94098 GPRESSAVG: 410000 24.1948 -10.5816 6.46803 -10.1545 -8.78608 -36.727 3.85551 -36.9427 6.92246 TIMING: 410000 CPU: 1228.46, 0.00300521/step Wall: 1228.46, 0.00300521/step, 3.83165 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: 410000 743.9228 2057.2052 1972.4879 113.2556 -206195.7405 17997.0770 0.0000 0.0000 34149.6389 -149162.1531 298.2373 -183311.7920 -149058.4282 299.3905 100.4017 131.6184 558375.2920 7.5069 7.4437 PRESSURE: 410200 -83.1857 -137.393 -279.108 -137.393 -78.2556 -58.6125 -279.109 -58.6107 25.1368 GPRESSURE: 410200 -90.6178 -177.976 -259.976 -100.818 -46.0771 -96.5228 -256.262 -22.9335 95.0462 PRESSAVG: 410200 50.7231 -56.8997 2.57645 -56.8998 -28.3109 -9.89597 2.57643 -9.8959 -40.7459 GPRESSAVG: 410200 51.3203 -55.8356 3.52033 -58.0396 -29.8474 -10.4625 1.15358 -8.43762 -38.9331 TIMING: 410200 CPU: 1229.06, 0.00302783/step Wall: 1229.06, 0.00302783/step, 3.86031 hours remaining, 208.562500 MB of memory in use. ENERGY: 410200 764.6941 2085.2133 1965.9476 125.5822 -206187.9258 17882.1592 0.0000 0.0000 34266.7030 -149097.6263 299.2596 -183364.3293 -149005.8464 298.7173 -45.4348 -13.8829 558992.8136 -6.1112 -5.8201 PRESSURE: 410400 -24.1745 -189.644 -26.286 -189.644 66.5445 -53.2151 -26.2853 -53.2159 -45.4179 GPRESSURE: 410400 -57.0964 -230.113 56.4736 -182.614 133.915 -81.0289 -28.0635 -127.676 18.1704 PRESSAVG: 410400 20.0682 -29.7764 -23.2819 -29.7764 -76.1843 22.5984 -23.2819 22.5983 13.2076 GPRESSAVG: 410400 20.1849 -30.3998 -23.0396 -30.932 -77.5646 23.6657 -22.6615 20.9427 14.1811 TIMING: 410400 CPU: 1229.66, 0.0030021/step Wall: 1229.66, 0.0030021/step, 3.82735 hours remaining, 208.562500 MB of memory in use. ENERGY: 410400 721.9036 2167.4000 1976.0665 117.4879 -206507.4336 17937.3600 0.0000 0.0000 34407.7260 -149179.4897 300.4912 -183587.2156 -149079.8222 299.3600 -1.0160 31.6631 559785.4797 -14.3029 -14.3995 PRESSURE: 410600 58.4327 -6.90816 -67.6631 -6.90944 -59.807 49.9684 -67.6647 49.9666 -11.4011 GPRESSURE: 410600 102.125 22.0117 -107.159 -49.7646 -7.11578 -34.7716 24.1944 55.3366 4.39513 PRESSAVG: 410600 106.022 14.4417 11.6229 14.4417 -20.6329 31.042 11.6228 31.0419 -91.7547 GPRESSAVG: 410600 107.036 16.6136 11.0195 12.9123 -20.9583 28.7956 12.8752 33.1577 -92.4333 TIMING: 410600 CPU: 1230.27, 0.00300321/step Wall: 1230.27, 0.00300321/step, 3.82859 hours remaining, 208.562500 MB of memory in use. ENERGY: 410600 780.3887 2030.8640 1978.2905 118.0046 -206580.4853 18101.8690 0.0000 0.0000 34469.4518 -149101.6166 301.0303 -183571.0684 -148995.3596 299.8269 -4.2585 33.1347 558550.9846 -2.1218 -2.1184 PRESSURE: 410800 104.738 8.37181 -90.5381 8.37141 -59.2662 125.265 -90.5371 125.265 157.463 GPRESSURE: 410800 121.653 27.7323 -28.733 32.017 24.0301 90.8884 -118.579 90.0995 159.724 PRESSAVG: 410800 113.736 -6.89538 -9.89187 -6.89541 -97.7751 53.2402 -9.89189 53.24 -27.2434 GPRESSAVG: 410800 113.606 -7.67891 -9.59359 -4.50585 -97.9179 56.6637 -12.8555 50.5088 -26.5315 TIMING: 410800 CPU: 1230.87, 0.00301624/step Wall: 1230.87, 0.00301624/step, 3.84504 hours remaining, 208.562500 MB of memory in use. ENERGY: 410800 739.9799 2129.0853 1967.0130 116.3962 -206375.3123 18104.9729 0.0000 0.0000 34144.5023 -149173.3628 298.1924 -183317.8651 -149075.5725 300.0160 67.6448 101.8022 557236.2952 -3.7607 -3.6143 PRESSURE: 411000 -116.324 -8.56046 -186.028 -8.55997 -12.842 63.5077 -186.029 63.5096 355.797 GPRESSURE: 411000 -105.142 29.3681 -187.597 -4.46423 42.025 15.0025 -25.8622 128.278 376.215 PRESSAVG: 411000 52.7849 -12.271 -33.2264 -12.271 32.1555 10.6475 -33.2265 10.6475 -46.7353 GPRESSAVG: 411000 52.453 -13.3566 -32.8313 -11.9338 31.8013 8.64896 -29.8606 12.6074 -46.062 TIMING: 411000 CPU: 1231.47, 0.00299932/step Wall: 1231.47, 0.00299932/step, 3.8233 hours remaining, 208.562500 MB of memory in use. ENERGY: 411000 738.5087 2094.5811 1942.1732 105.4203 -206349.6823 17808.4615 0.0000 0.0000 34399.0431 -149261.4944 300.4154 -183660.5375 -149159.2757 299.6709 75.5438 104.3662 555903.3513 12.7351 12.7308 PRESSURE: 411200 82.8657 -45.6098 25.3436 -45.6082 -52.0135 -62.1065 25.3435 -62.1064 246.91 GPRESSURE: 411200 148.9 33.9595 49.7853 -46.4692 -25.4434 11.4992 -84.7534 -71.8016 253.781 PRESSAVG: 411200 -12.2694 24.8094 -56.9621 24.8094 -27.8264 -0.443213 -56.9621 -0.443329 71.1656 GPRESSAVG: 411200 -12.5167 23.7703 -57.7696 24.395 -26.5901 -0.579282 -58.0045 -1.70235 70.0908 TIMING: 411200 CPU: 1232.07, 0.00300063/step Wall: 1232.07, 0.00300063/step, 3.8248 hours remaining, 208.562500 MB of memory in use. ENERGY: 411200 762.3465 2067.7990 1927.3134 107.8934 -206301.0375 17880.6666 0.0000 0.0000 34149.2105 -149405.8082 298.2335 -183555.0187 -149307.5974 298.9255 92.5875 125.7459 556964.1778 10.3566 10.3280 PRESSURE: 411400 -142.52 -96.3467 76.2336 -96.3465 243.219 -125.932 76.234 -125.933 -79.0481 GPRESSURE: 411400 -30.3027 -100.074 147.891 -85.6565 250.237 -109.656 18.1125 -190.868 -93.594 PRESSAVG: 411400 -27.2474 -23.5233 9.89273 -23.5234 24.8025 -37.8971 9.89279 -37.8972 -17.9317 GPRESSAVG: 411400 -26.9955 -21.0318 9.94308 -24.2909 24.5746 -36.0233 10.6742 -39.3298 -17.9673 TIMING: 411400 CPU: 1232.67, 0.00299258/step Wall: 1232.67, 0.00299258/step, 3.81438 hours remaining, 208.562500 MB of memory in use. ENERGY: 411400 731.6314 2076.7167 1943.2298 119.7265 -206334.7946 17776.2275 0.0000 0.0000 34143.9908 -149543.2718 298.1880 -183687.2626 -149458.9349 297.6709 7.2169 42.1136 556475.9956 -6.7922 -6.7960 PRESSURE: 411600 73.0994 -55.0972 -134.031 -55.0968 -59.3982 -70.8818 -134.031 -70.8816 -142.896 GPRESSURE: 411600 82.7308 -105.343 -163.252 66.0812 -46.3072 15.5813 -149.316 -33.9047 -61.0038 PRESSAVG: 411600 -36.2613 7.67525 -20.7309 7.67527 56.2934 -42.0504 -20.7309 -42.0504 -20.8249 GPRESSAVG: 411600 -35.8023 5.57071 -20.4137 10.3713 55.0941 -41.8787 -21.8492 -39.0318 -20.5996 TIMING: 411600 CPU: 1233.27, 0.0030183/step Wall: 1233.27, 0.0030183/step, 3.847 hours remaining, 208.562500 MB of memory in use. ENERGY: 411600 743.0913 2137.6127 1958.9464 117.2554 -206253.6889 17798.9087 0.0000 0.0000 33980.2696 -149517.6048 296.7581 -183497.8744 -149430.6857 298.3369 -43.0650 -8.1934 555898.5136 -0.2642 -0.4359 PRESSURE: 411800 -15.4216 260.114 46.9344 260.114 -190.843 92.3154 46.9354 92.3143 64.501 GPRESSURE: 411800 53.3344 313.563 168.808 300.803 -198.046 -35.6398 -40.6826 164.181 89.5882 PRESSAVG: 411800 24.1178 -37.2481 -13.5548 -37.2481 -38.1527 13.2348 -13.5548 13.2348 15.5424 GPRESSAVG: 411800 25.2597 -35.649 -13.4896 -38.3718 -36.8714 12.815 -13.3569 11.9515 13.8481 TIMING: 411800 CPU: 1233.88, 0.00302414/step Wall: 1233.88, 0.00302414/step, 3.85426 hours remaining, 208.562500 MB of memory in use. ENERGY: 411800 727.7288 2093.3585 1950.4702 123.6016 -206191.2531 17735.6979 0.0000 0.0000 34134.7047 -149425.6914 298.1069 -183560.3961 -149332.6145 298.5454 -47.2544 -18.3743 556885.5353 0.5025 0.7455 PRESSURE: 412000 -298.294 19.9029 48.6797 19.9045 -226.045 178.665 48.6789 178.667 -157.338 GPRESSURE: 412000 -250.612 30.7885 118.288 -6.56031 -171.097 169.998 -3.45636 178.958 -160.425 PRESSAVG: 412000 106.956 15.7623 -24.1877 15.7624 -39.8966 26.0578 -24.1878 26.0579 -27.6151 GPRESSAVG: 412000 105.449 14.5495 -23.5366 15.2846 -40.01 27.461 -22.5085 24.2397 -25.9515 TIMING: 412000 CPU: 1234.48, 0.00300961/step Wall: 1234.48, 0.00300961/step, 3.83558 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: 412000 793.7588 2141.8715 1913.6914 98.4514 -205923.7796 17580.6034 0.0000 0.0000 34029.5152 -149365.8879 297.1882 -183395.4031 -149275.0063 299.4387 -227.2257 -194.0447 557494.0174 13.1482 13.1624 PRESSURE: 412200 -48.6822 -64.4776 63.2041 -64.4773 6.35559 60.801 63.2055 60.8009 163.991 GPRESSURE: 412200 13.7053 -150.447 -1.94975 -33.7563 37.1113 70.5272 20.478 52.3616 168.625 PRESSAVG: 412200 -1.7606 -16.9679 -14.3301 -16.9679 -24.7812 29.9732 -14.33 29.9731 12.7225 GPRESSAVG: 412200 -1.40293 -17.3029 -15.4234 -17.4066 -24.8662 27.2749 -16.0277 32.8553 12.4238 TIMING: 412200 CPU: 1235.08, 0.00301082/step Wall: 1235.08, 0.00301082/step, 3.83696 hours remaining, 208.562500 MB of memory in use. ENERGY: 412200 732.5006 2071.4093 1919.3222 117.4071 -206079.2212 17825.2149 0.0000 0.0000 34182.5922 -149230.7748 298.5251 -183413.3670 -149136.2635 299.2330 40.5547 73.1471 557346.4687 -4.6064 -4.6151 LDB: ============= START OF LOAD BALANCING ============== 1238.6 LDB: ============== END OF LOAD BALANCING =============== 1238.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1238.6 LDB: ============= START OF LOAD BALANCING ============== 1238.9 LDB: Largest compute 4800 load 0.029613 is 25.1% of average load 0.117860 LDB: Average compute 0.001721 is 1.5% of average load 0.117860 LDB: TIME 1238.9 LOAD: AVG 0.11786 MAX 0.208688 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.008 MB LDB: TIME 1238.9 LOAD: AVG 0.11786 MAX 0.208688 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.078 MB LDB: TIME 1238.9 LOAD: AVG 0.11786 MAX 0.208688 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.078 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1238.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1238.91 PRESSURE: 412400 -146.484 -25.4557 -139.373 -25.4545 -83.373 -23.6424 -139.374 -23.6411 25.8247 GPRESSURE: 412400 -175.598 34.5724 -98.4026 -5.40869 4.30682 -11.1933 -123.372 44.0555 59.8536 PRESSAVG: 412400 34.548 34.3139 -14.4558 34.314 7.59418 14.4689 -14.4557 14.4689 -29.9556 GPRESSAVG: 412400 34.4122 34.8458 -14.7816 34.0143 7.83565 16.3687 -14.2297 14.2235 -30.0262 TIMING: 412400 CPU: 1235.69, 0.00304235/step Wall: 1235.69, 0.00304235/step, 3.87696 hours remaining, 207.140625 MB of memory in use. ENERGY: 412400 736.4362 2099.4767 1937.8143 110.3587 -206058.0888 17577.1673 0.0000 0.0000 34339.4628 -149257.3730 299.8951 -183596.8358 -149162.7808 298.9985 -68.0106 -37.1457 557342.9270 4.0622 4.0739 PRESSURE: 412600 99.5131 -101.051 52.4619 -101.05 -55.9456 -126.627 52.4622 -126.626 295.949 GPRESSURE: 412600 132.765 -129.426 -37.2079 -149.302 -0.00581702 -80.2224 82.4447 -115.159 307.008 PRESSAVG: 412600 46.927 -28.8885 18.4899 -28.8885 -99.5331 -18.531 18.49 -18.531 34.7732 GPRESSAVG: 412600 48.0225 -29.7337 20.1627 -27.2077 -99.5246 -18.649 16.984 -18.7562 33.643 TIMING: 412600 CPU: 1236.29, 0.00298772/step Wall: 1236.29, 0.00298772/step, 3.80718 hours remaining, 207.343750 MB of memory in use. ENERGY: 412600 740.7891 2104.0417 1944.0107 105.1075 -206678.2135 17963.2701 0.0000 0.0000 34355.4335 -149465.5608 300.0345 -183820.9944 -149363.9389 298.9752 113.1722 146.5891 555759.9899 -5.9443 -5.9530 PRESSURE: 412800 -65.3066 -158.584 -68.9571 -158.584 -104.082 24.4221 -68.957 24.4232 58.0592 GPRESSURE: 412800 -50.8206 -109.021 -12.2411 -155.216 -69.5112 -13.9062 -97.6953 26.0764 106.706 PRESSAVG: 412800 22.9416 10.7518 16.759 10.7517 25.8415 -14.6676 16.7591 -14.6677 -6.80613 GPRESSAVG: 412800 20.6497 8.45118 15.6279 10.9115 26.0793 -13.7092 20.244 -14.5451 -5.26129 TIMING: 412800 CPU: 1236.89, 0.00301004/step Wall: 1236.89, 0.00301004/step, 3.83546 hours remaining, 207.343750 MB of memory in use. ENERGY: 412800 735.2615 2152.5942 1917.5676 117.3039 -206422.3821 17829.8260 0.0000 0.0000 34174.4781 -149495.3507 298.4542 -183669.8289 -149398.5757 298.7972 -37.1098 -4.5419 556680.1448 13.9923 13.8226 PRESSURE: 413000 6.83882 126.049 -145.482 126.049 138.968 135.241 -145.481 135.242 220.774 GPRESSURE: 413000 79.1641 86.1644 -118.764 167.26 124.953 161.813 -74.3522 39.3578 249.731 PRESSAVG: 413000 -18.1266 -54.4757 -9.76316 -54.4757 56.7473 14.0813 -9.76305 14.0814 -48.8918 GPRESSAVG: 413000 -16.1942 -52.2721 -8.11915 -55.6104 55.7911 15.7895 -11.9889 11.5261 -50.0956 TIMING: 413000 CPU: 1237.49, 0.00300545/step Wall: 1237.49, 0.00300545/step, 3.82945 hours remaining, 207.343750 MB of memory in use. ENERGY: 413000 724.0672 2092.2733 1962.2759 116.0116 -206379.1074 17838.1352 0.0000 0.0000 34109.9091 -149536.4352 297.8903 -183646.3443 -149439.3375 298.8260 122.1939 151.2828 556069.9932 -3.4237 -3.4996 PRESSURE: 413200 -76.9302 8.25606 -59.4418 8.2561 -117.482 -37.181 -59.442 -37.1821 36.0974 GPRESSURE: 413200 -59.716 65.9157 -50.7588 13.315 -44.3477 -42.8905 -23.7624 -79.3818 45.1162 PRESSAVG: 413200 41.9788 -27.2413 -63.1358 -27.2412 -35.8356 17.3093 -63.1359 17.3094 -20.5684 GPRESSAVG: 413200 41.3222 -27.043 -62.9101 -27.6182 -34.5159 14.5263 -64.2248 19.2017 -21.0494 TIMING: 413200 CPU: 1238.1, 0.00303796/step Wall: 1238.1, 0.00303796/step, 3.87069 hours remaining, 207.343750 MB of memory in use. ENERGY: 413200 732.9737 2090.9394 1922.7566 120.6158 -206288.2065 17682.7557 0.0000 0.0000 34222.1102 -149516.0551 298.8702 -183738.1653 -149414.2031 298.9791 -52.7717 -19.6492 555675.2572 -4.8084 -4.7477 PRESSURE: 413400 236.358 -127.072 -31.3953 -127.072 222.233 56.8723 -31.3949 56.8725 -52.3757 GPRESSURE: 413400 262.895 -168.165 -62.0794 -147.078 256.377 93.0911 14.3853 112.013 -20.5143 PRESSAVG: 413400 30.0642 32.3201 -31.7488 32.3202 1.81252 -15.9564 -31.7488 -15.9564 -3.03963 GPRESSAVG: 413400 29.6018 34.1835 -32.4613 31.3699 1.23516 -13.1358 -31.2939 -17.1241 -1.73979 TIMING: 413400 CPU: 1238.71, 0.00307311/step Wall: 1238.71, 0.00307311/step, 3.91531 hours remaining, 207.343750 MB of memory in use. ENERGY: 413400 743.1931 2081.9093 1950.2490 108.2118 -206959.4912 18186.0159 0.0000 0.0000 34077.6421 -149812.2700 297.6085 -183889.9121 -149714.8410 298.6426 135.4051 166.2526 556433.2150 9.6124 9.6990 PRESSURE: 413600 -468.384 -113.998 45.2622 -113.998 -30.2371 21.8131 45.2627 21.814 35.9633 GPRESSURE: 413600 -431.077 -19.3583 95.3207 -122.746 21.1646 52.7764 64.1049 36.6469 55.0598 PRESSAVG: 413600 48.9868 16.8493 0.187727 16.8493 40.1291 42.7103 0.187865 42.7103 -53.2608 GPRESSAVG: 413600 49.1621 16.2272 1.3318 17.2555 39.2297 41.2342 -0.249947 44.6961 -52.6072 TIMING: 413600 CPU: 1239.31, 0.00300977/step Wall: 1239.31, 0.00300977/step, 3.83444 hours remaining, 207.343750 MB of memory in use. ENERGY: 413600 740.4108 2108.3588 1931.6197 119.2733 -206396.0909 17644.6963 0.0000 0.0000 34103.9719 -149747.7602 297.8385 -183851.7321 -149654.0280 297.6536 -154.2192 -118.2843 556193.2264 11.9517 11.9282 PRESSURE: 413800 85.2279 -18.2089 103.845 -18.2087 55.9071 12.1126 103.845 12.113 -13.3337 GPRESSURE: 413800 149.85 32.4366 203.944 -106.433 54.3872 -16.6838 67.1107 -68.9255 4.47487 PRESSAVG: 413800 7.54083 -27.4471 -15.9217 -27.447 8.2717 9.67196 -15.9217 9.67198 -20.2377 GPRESSAVG: 413800 8.34302 -27.8622 -15.7842 -26.3855 7.93696 9.58106 -15.1806 8.87232 -20.3367 TIMING: 413800 CPU: 1239.91, 0.0030074/step Wall: 1239.91, 0.0030074/step, 3.83127 hours remaining, 207.343750 MB of memory in use. ENERGY: 413800 722.6091 2097.2921 1950.4212 122.2187 -206736.2630 17863.7289 0.0000 0.0000 34100.0099 -149879.9830 297.8039 -183979.9929 -149791.9783 297.7098 42.6004 69.5708 554780.9355 -1.4751 -1.3522 PRESSURE: 414000 206.347 -13.1842 -69.8229 -13.1834 228.334 64.611 -69.8218 64.6089 158.123 GPRESSURE: 414000 293.072 -21.1947 -131.687 -37.8777 268.449 -19.2049 -38.9756 155.803 131.632 PRESSAVG: 414000 4.66192 -32.7531 -2.26048 -32.7531 -11.5409 9.25598 -2.26048 9.25593 8.28607 GPRESSAVG: 414000 4.28346 -34.2104 -2.40241 -34.0404 -10.8927 9.36371 -1.29397 8.79417 7.88764 TIMING: 414000 CPU: 1240.52, 0.00302215/step Wall: 1240.52, 0.00302215/step, 3.84988 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: 414000 765.9515 2067.5562 1948.7055 106.5840 -206702.7046 18032.7554 0.0000 0.0000 34167.5259 -149613.6261 298.3935 -183781.1520 -149524.1882 297.7759 197.6011 231.0512 554745.9594 0.4690 0.4261 PRESSURE: 414200 -86.1405 -85.0133 48.8937 -85.0121 -149.857 137.407 48.893 137.404 60.1349 GPRESSURE: 414200 -42.3019 -141.66 143.653 -90.3263 -148.613 58.0419 -38.9209 197.991 125.053 PRESSAVG: 414200 -0.90626 5.92296 -48.7876 5.923 14.9569 -9.40448 -48.7877 -9.40452 4.66707 GPRESSAVG: 414200 -0.832465 6.69844 -49.0683 5.81306 15.3577 -9.758 -50.9072 -9.17712 4.4603 TIMING: 414200 CPU: 1241.13, 0.00303599/step Wall: 1241.13, 0.00303599/step, 3.86735 hours remaining, 207.343750 MB of memory in use. ENERGY: 414200 735.1645 2069.1931 1930.8461 120.1189 -206406.4087 17746.2938 0.0000 0.0000 34091.9697 -149712.8228 297.7337 -183804.7925 -149610.4593 298.7042 -58.6208 -21.9538 557088.1536 6.2392 6.3285 PRESSURE: 414400 -146.202 112.903 -155.242 112.903 -161.649 109.33 -155.244 109.33 -78.7069 GPRESSURE: 414400 -116.684 31.6305 -202.952 144.957 -124.583 62.9075 -159.45 109.376 -47.7268 PRESSAVG: 414400 29.5055 46.3978 13.6173 46.3977 -3.49716 31.2112 13.6173 31.2111 -3.25397 GPRESSAVG: 414400 29.3038 44.83 12.8897 46.7555 -4.15469 32.1893 15.3214 32.4623 -2.53714 TIMING: 414400 CPU: 1241.72, 0.00299026/step Wall: 1241.72, 0.00299026/step, 3.80893 hours remaining, 207.343750 MB of memory in use. ENERGY: 414400 728.8391 2102.4383 1955.2908 130.5234 -206676.9818 17668.8579 0.0000 0.0000 34199.2062 -149891.8261 298.6702 -184091.0323 -149791.2776 297.9087 -128.8526 -96.3310 556503.8863 7.5848 7.5373 PRESSURE: 414600 17.4659 55.3795 167.373 55.3798 -23.3847 118.482 167.372 118.48 -97.8051 GPRESSURE: 414600 48.3428 58.9808 143.911 27.9126 -9.41595 190.687 109.065 71.1754 -46.6729 PRESSAVG: 414600 25.4331 18.688 -19.7964 18.6881 -9.79489 62.9349 -19.7964 62.9349 -17.7794 GPRESSAVG: 414600 24.5767 22.0666 -19.0061 17.327 -9.13135 62.2337 -21.6868 63.0141 -17.3227 TIMING: 414600 CPU: 1242.32, 0.00299899/step Wall: 1242.32, 0.00299899/step, 3.81988 hours remaining, 207.343750 MB of memory in use. ENERGY: 414600 760.8280 2031.6517 1972.9031 110.3254 -206731.3524 17784.5974 0.0000 0.0000 34091.3074 -149979.7394 297.7279 -184071.0468 -149883.2826 297.4129 -34.5746 -2.5820 555026.0321 -0.7138 -0.6258 PRESSURE: 414800 38.2338 66.6581 -117.164 66.6587 45.5071 -10.9839 -117.165 -10.9842 385.387 GPRESSURE: 414800 82.6429 53.0367 -172.272 80.1364 93.79 -1.16479 -148.912 -0.315675 392.131 PRESSAVG: 414800 -0.17517 22.1139 -18.2225 22.1139 13.0887 15.1257 -18.2226 15.1257 12.5676 GPRESSAVG: 414800 0.240469 22.0135 -20.4668 24.2426 13.8213 16.9392 -16.3216 12.7377 11.4602 TIMING: 414800 CPU: 1242.92, 0.0029713/step Wall: 1242.92, 0.0029713/step, 3.78444 hours remaining, 207.343750 MB of memory in use. ENERGY: 414800 722.4705 2116.6995 1939.0426 99.6577 -206757.7666 17911.5727 0.0000 0.0000 33997.4979 -149970.8257 296.9086 -183968.3236 -149878.0944 297.3371 156.3759 189.5213 554981.2944 8.4937 8.5073 PRESSURE: 415000 246.756 -52.1867 -7.6157 -52.1868 272.27 19.6944 -7.61713 19.6957 132.252 GPRESSURE: 415000 249.245 69.7333 -36.9267 -90.4313 297.719 -1.31018 18.2047 22.8734 198.474 PRESSAVG: 415000 38.7571 -23.0237 3.27056 -23.0237 50.4437 23.3897 3.27053 23.3897 -61.6494 GPRESSAVG: 415000 38.4905 -24.3003 4.99003 -23.6141 50.5193 21.8389 2.54968 26.0601 -61.264 TIMING: 415000 CPU: 1243.52, 0.00301743/step Wall: 1243.52, 0.00301743/step, 3.84303 hours remaining, 207.343750 MB of memory in use. ENERGY: 415000 728.3075 2076.1865 1968.3592 114.3625 -207077.2591 18151.9213 0.0000 0.0000 34112.1121 -149926.0100 297.9096 -184038.1222 -149826.0774 297.4432 217.0927 248.4792 555222.4521 9.1838 9.2486 PRESSURE: 415200 -78.6988 -53.6491 -120.097 -53.6499 90.7251 78.4255 -120.097 78.4249 -168.383 GPRESSURE: 415200 -40.426 -76.3394 -31.8084 33.0749 104.775 61.08 -152.588 75.0925 -128.238 PRESSAVG: 415200 110.856 37.8247 -24.8788 37.8247 2.85467 -38.5694 -24.8788 -38.5695 -96.8242 GPRESSAVG: 415200 111.569 38.5109 -24.255 38.1436 1.81103 -38.1861 -24.514 -39.9899 -96.501 TIMING: 415200 CPU: 1244.12, 0.00300238/step Wall: 1244.12, 0.00300238/step, 3.82369 hours remaining, 207.343750 MB of memory in use. ENERGY: 415200 732.7863 2081.1581 1942.6476 117.8129 -206670.0040 17851.8770 0.0000 0.0000 34020.5021 -149923.2200 297.1095 -183943.7221 -149823.5496 297.5739 -52.1190 -21.2966 557161.4134 5.6288 5.6262 PRESSURE: 415400 -104.857 116.623 53.5992 116.622 47.119 -85.5919 53.599 -85.5912 -6.18482 GPRESSURE: 415400 -65.1455 187.962 -2.53791 72.9745 75.4879 -84.6065 39.3016 -170.876 19.042 PRESSAVG: 415400 -8.17344 -5.14472 -4.87332 -5.14472 -46.2845 69.3618 -4.87334 69.3617 20.9543 GPRESSAVG: 415400 -9.2025 -6.69367 -4.50514 -2.5195 -44.8523 68.8768 -4.84992 71.3733 20.68 TIMING: 415400 CPU: 1244.72, 0.0030015/step Wall: 1244.72, 0.0030015/step, 3.82241 hours remaining, 207.343750 MB of memory in use. ENERGY: 415400 771.0724 2046.2549 1939.2060 111.6459 -206780.2641 18016.5642 0.0000 0.0000 33922.0264 -149973.4943 296.2495 -183895.5207 -149874.2622 296.8955 -21.3077 9.7948 557736.6194 -11.1679 -11.1249 PRESSURE: 415600 70.801 12.635 -100.822 12.6355 -56.8214 -2.11658 -100.823 -2.11495 -52.0961 GPRESSURE: 415600 70.6215 -49.4791 -143.628 86.7122 -13.7538 -16.5737 -167.423 -32.6253 -0.579623 PRESSAVG: 415600 28.6283 22.6639 -47.1648 22.6638 20.7778 26.1998 -47.1648 26.1998 -28.14 GPRESSAVG: 415600 29.1311 24.0154 -48.2611 20.365 20.8445 28.0849 -48.0646 23.0105 -28.1252 TIMING: 415600 CPU: 1245.33, 0.00303847/step Wall: 1245.33, 0.00303847/step, 3.86932 hours remaining, 207.343750 MB of memory in use. ENERGY: 415600 696.1622 2103.4548 1948.2468 108.3793 -206448.4940 17668.3673 0.0000 0.0000 34098.2980 -149825.5856 297.7889 -183923.8836 -149730.9122 297.4386 -12.7055 18.7627 557405.9059 7.0887 7.2835 PRESSURE: 415800 294.541 38.2233 20.1083 38.2239 -61.2536 -188.035 20.1075 -188.036 -132.37 GPRESSURE: 415800 292.096 27.5852 150.068 -74.7434 -33.6544 -200.351 -21.1903 -138.288 -54.0911 PRESSAVG: 415800 -47.1398 8.56257 -42.155 8.56252 -3.9409 -47.1623 -42.155 -47.1623 44.224 GPRESSAVG: 415800 -47.3219 8.05446 -43.0958 7.0592 -4.64671 -47.9485 -40.1955 -46.3704 45.2756 TIMING: 415800 CPU: 1245.94, 0.00304028/step Wall: 1245.94, 0.00304028/step, 3.87145 hours remaining, 207.343750 MB of memory in use. ENERGY: 415800 760.0484 2071.2376 1938.0391 112.5520 -206495.9688 17808.0770 0.0000 0.0000 34002.2421 -149803.7727 296.9500 -183806.0147 -149713.5890 296.9475 33.6391 68.1168 556009.7162 -2.2856 -2.2310 PRESSURE: 416000 59.2846 157.188 135.614 157.188 -147.471 80.5057 135.613 80.5058 173.136 GPRESSURE: 416000 -26.8724 213.838 168.995 102.522 -73.9154 40.1658 162.962 160.025 277.748 PRESSAVG: 416000 6.81002 54.3272 1.89162 54.3273 -26.0776 12.1003 1.89164 12.1004 62.0079 GPRESSAVG: 416000 6.9469 54.7719 3.23255 57.1468 -26.5197 11.1245 1.14093 13.1676 61.7648 TIMING: 416000 CPU: 1246.54, 0.00300399/step Wall: 1246.54, 0.00300399/step, 3.82508 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: 416000 753.2983 2062.2061 1943.8255 113.6524 -206379.1520 17862.2039 0.0000 0.0000 33830.1833 -149813.7825 295.4474 -183643.9658 -149712.9682 297.0982 28.3167 58.9866 555978.5333 14.2468 14.0640 PRESSURE: 416200 -99.2319 60.7186 -135.452 60.7187 151.473 -40.6817 -135.451 -40.6806 266.161 GPRESSURE: 416200 -49.1048 56.6358 -101.587 81.325 208.753 -109.377 -103.539 1.311 250.158 PRESSAVG: 416200 -49.4894 -6.02928 -14.4062 -6.0292 -36.0508 -12.5068 -14.4062 -12.5068 113.755 GPRESSAVG: 416200 -48.8409 -6.10586 -15.9969 -7.70284 -36.1712 -12.7008 -14.4444 -13.2538 113.266 TIMING: 416200 CPU: 1247.14, 0.00297897/step Wall: 1247.14, 0.00297897/step, 3.79305 hours remaining, 207.343750 MB of memory in use. ENERGY: 416200 755.9082 2069.2570 1959.4378 99.6357 -207049.6949 17992.0080 0.0000 0.0000 34431.1151 -149742.3332 300.6955 -184173.4482 -149645.9169 297.8815 106.1341 136.6020 555522.5182 9.4049 9.4179 LDB: ============= START OF LOAD BALANCING ============== 1250.65 LDB: ============== END OF LOAD BALANCING =============== 1250.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1250.65 LDB: ============= START OF LOAD BALANCING ============== 1250.96 LDB: Largest compute 4800 load 0.031742 is 26.9% of average load 0.117833 LDB: Average compute 0.001720 is 1.5% of average load 0.117833 LDB: TIME 1250.96 LOAD: AVG 0.117833 MAX 0.213553 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.102 MB LDB: TIME 1250.96 LOAD: AVG 0.117833 MAX 0.213553 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.309 MB LDB: TIME 1250.96 LOAD: AVG 0.117833 MAX 0.213553 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.309 MB LDB: ============== END OF LOAD BALANCING =============== 1250.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1250.96 PRESSURE: 416400 -197.981 131.342 -124.556 131.341 34.4993 4.45309 -124.557 4.45316 -209.836 GPRESSURE: 416400 -146.42 148.865 -52.0912 86.4984 2.35484 -19.3024 -260.826 47.0395 -127.156 PRESSAVG: 416400 -11.5812 59.8491 -74.7393 59.8491 -81.1541 -9.72583 -74.7392 -9.72577 99.7123 GPRESSAVG: 416400 -12.8973 58.7179 -71.4239 60.7959 -80.5067 -8.97233 -74.9201 -9.14874 100.083 TIMING: 416400 CPU: 1247.75, 0.00306753/step Wall: 1247.75, 0.00306753/step, 3.90565 hours remaining, 207.183594 MB of memory in use. ENERGY: 416400 751.6548 2064.1566 1950.1017 101.0764 -206400.7828 17779.8595 0.0000 0.0000 34210.2769 -149543.6569 298.7669 -183753.9338 -149445.1295 298.0192 -124.4393 -90.4071 556656.4640 2.3256 2.2264 PRESSURE: 416600 -149.893 -49.9186 141.412 -49.9197 -134.545 -151.708 141.411 -151.711 -60.6923 GPRESSURE: 416600 -116.486 -4.01233 143.103 -87.7586 -145.72 -249.129 116.1 -185.176 26.8566 PRESSAVG: 416600 -82.6647 63.4931 43.2989 63.493 6.46569 44.5665 43.2989 44.5664 102.19 GPRESSAVG: 416600 -81.9963 65.1808 39.5826 63.7542 5.9008 45.9484 43.928 42.84 102.359 TIMING: 416600 CPU: 1248.35, 0.00299753/step Wall: 1248.35, 0.00299753/step, 3.81636 hours remaining, 207.386719 MB of memory in use. ENERGY: 416600 781.6592 2094.2548 1912.0355 110.6664 -206233.6751 17646.6905 0.0000 0.0000 34073.9209 -149614.4478 297.5760 -183688.3687 -149515.1414 298.2605 -115.0434 -78.4498 556655.8151 8.6637 8.7546 PRESSURE: 416800 223.371 89.2279 87.4951 89.2272 -299.235 -101.257 87.4947 -101.254 -42.6979 GPRESSURE: 416800 212.568 1.40699 41.1159 160.966 -220.075 55.0109 58.8982 -140.981 -5.58174 PRESSAVG: 416800 -30.5728 24.6165 24.4601 24.6165 22.2674 6.63335 24.46 6.63335 -41.5936 GPRESSAVG: 416800 -29.7101 23.7386 25.5177 25.1715 21.2141 4.92902 22.9138 8.60585 -41.654 TIMING: 416800 CPU: 1248.95, 0.00300643/step Wall: 1248.95, 0.00300643/step, 3.82752 hours remaining, 207.386719 MB of memory in use. ENERGY: 416800 750.0496 2080.9379 1946.8413 111.9113 -206273.2364 17795.5588 0.0000 0.0000 34111.5890 -149476.3484 297.9050 -183587.9374 -149386.2712 297.7727 -39.5206 -4.3630 557901.3036 -16.6330 -16.7167 PRESSURE: 417000 106.38 -101.158 -98.5924 -101.159 144.871 -104.398 -98.591 -104.399 -81.7912 GPRESSURE: 417000 109.056 -165.772 -72.4059 -116.993 173.189 -171.637 -128.028 -151.911 -16.4962 PRESSAVG: 417000 55.5958 -12.839 -4.34098 -12.839 1.03276 22.2989 -4.34094 22.299 -42.7056 GPRESSAVG: 417000 53.99 -13.2616 -4.70909 -13.2632 2.29598 23.1507 -3.62286 22.3726 -41.8608 TIMING: 417000 CPU: 1249.55, 0.00301316/step Wall: 1249.55, 0.00301316/step, 3.83592 hours remaining, 207.386719 MB of memory in use. ENERGY: 417000 739.0945 2084.4240 1947.9190 114.8526 -206354.3481 17850.9281 0.0000 0.0000 34179.3431 -149437.7866 298.4967 -183617.1297 -149347.5588 298.7331 56.4866 88.5830 556968.0981 4.6410 4.8084 PRESSURE: 417200 -145.311 168.882 3.35848 168.883 37.5552 83.8547 3.35862 83.8534 107.571 GPRESSURE: 417200 -92.6572 102.503 -12.8752 224.488 85.0147 39.4458 -16.0115 120.264 100.993 PRESSAVG: 417200 -16.0778 -11.1301 -30.6598 -11.1302 10.1522 30.6494 -30.6598 30.6494 21.3348 GPRESSAVG: 417200 -15.6777 -12.5013 -29.7994 -9.4676 10.0929 28.8287 -29.0308 29.9783 20.5582 TIMING: 417200 CPU: 1250.16, 0.00302952/step Wall: 1250.16, 0.00302952/step, 3.85658 hours remaining, 207.386719 MB of memory in use. ENERGY: 417200 740.9225 2083.7698 1953.2525 118.3230 -206291.2837 17822.1226 0.0000 0.0000 34130.4698 -149442.4234 298.0699 -183572.8932 -149350.1900 298.0071 -0.0616 31.1168 557523.5487 5.1364 4.9911 PRESSURE: 417400 -287.469 -132.575 -89.5334 -132.575 -51.6501 -134.099 -89.5337 -134.098 -15.2393 GPRESSURE: 417400 -235.505 -141.469 -118.867 -78.6919 15.2317 -171.419 -6.173 -78.826 -42.095 PRESSAVG: 417400 -57.8447 -12.1072 -23.3483 -12.1072 53.325 20.1071 -23.3482 20.1071 17.6768 GPRESSAVG: 417400 -56.7561 -10.2719 -23.7001 -15.0825 52.5763 22.1046 -24.862 18.9658 17.2793 TIMING: 417400 CPU: 1250.76, 0.00303384/step Wall: 1250.76, 0.00303384/step, 3.86191 hours remaining, 207.386719 MB of memory in use. ENERGY: 417400 776.1669 2065.6687 1961.2231 108.0736 -206406.3706 17819.9708 0.0000 0.0000 34269.6910 -149405.5766 299.2857 -183675.2676 -149304.9218 298.6667 -118.1196 -87.4561 558633.9757 4.3857 4.3665 PRESSURE: 417600 24.0064 5.19988 133.846 5.20022 -311.592 -20.8066 133.847 -20.804 -162.223 GPRESSURE: 417600 33.4263 39.7976 173.78 -77.3158 -265.601 44.0871 68.6741 -0.962203 -123.63 PRESSAVG: 417600 -18.7036 -56.4069 37.7036 -56.4068 -26.2388 6.56218 37.7037 6.56222 13.4243 GPRESSAVG: 417600 -19.6194 -55.1876 39.2458 -55.1201 -25.0716 7.15173 36.8763 7.34699 14.0763 TIMING: 417600 CPU: 1251.37, 0.00301661/step Wall: 1251.37, 0.00301661/step, 3.8398 hours remaining, 207.386719 MB of memory in use. ENERGY: 417600 745.4261 2034.1203 1956.6755 112.7578 -206318.1322 17803.8618 0.0000 0.0000 34186.0106 -149479.2800 298.5549 -183665.2907 -149379.5665 298.2998 -149.9364 -118.6016 560032.9188 -10.5061 -10.2049 PRESSURE: 417800 -111.591 -2.83952 29.1277 -2.83976 -69.8131 36.2987 29.1265 36.2986 -68.1511 GPRESSURE: 417800 -62.2723 -41.5419 33.6154 -35.7194 -42.2719 14.9493 76.1163 153.698 -40.1538 PRESSAVG: 417800 38.542 -9.90223 -54.7257 -9.9021 -48.3703 69.6994 -54.7257 69.6993 61.1775 GPRESSAVG: 417800 40.0149 -11.8131 -54.9028 -9.62338 -49.2844 67.1416 -53.3176 71.7536 60.5467 TIMING: 417800 CPU: 1251.98, 0.00305262/step Wall: 1251.98, 0.00305262/step, 3.88547 hours remaining, 207.386719 MB of memory in use. ENERGY: 417800 742.1849 2088.8197 1960.2511 103.6022 -206423.8286 17685.2935 0.0000 0.0000 34243.8631 -149599.8141 299.0602 -183843.6772 -149504.0734 298.4863 -83.1851 -48.2327 555626.7647 17.1164 17.0924 PRESSURE: 418000 -62.4252 -6.77568 -6.81931 -6.77637 -216.95 79.0527 -6.82038 79.0521 144.163 GPRESSURE: 418000 10.2805 -28.2797 -54.9231 5.54972 -235.397 103.394 48.4888 73.1159 182.67 PRESSAVG: 418000 64.6758 55.9066 -54.9402 55.9067 -120.053 -3.51006 -54.9402 -3.51013 16.7851 GPRESSAVG: 418000 65.0145 56.6346 -56.579 55.3129 -119.825 -1.61652 -52.5563 -5.14312 15.896 TIMING: 418000 CPU: 1252.58, 0.00300981/step Wall: 1252.58, 0.00300981/step, 3.83082 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: 418000 751.1378 2035.7891 1966.3091 114.1693 -206177.1819 17743.8795 0.0000 0.0000 34201.0293 -149364.8678 298.6861 -183565.8971 -149266.5327 298.7337 -45.0708 -14.1488 556230.5189 -12.8639 -12.9716 PRESSURE: 418200 19.2116 -4.58986 81.179 -4.58981 48.2348 -43.9296 81.1783 -43.9269 125.162 GPRESSURE: 418200 25.4059 -55.9052 146.686 89.4352 109.183 -109.65 -23.866 31.6695 155.631 PRESSAVG: 418200 13.0947 7.55097 30.0447 7.55092 6.42649 -24.8419 30.0447 -24.8419 38.2223 GPRESSAVG: 418200 11.6957 6.16664 30.4154 9.23057 7.095 -23.2873 27.6916 -26.9884 39.5464 TIMING: 418200 CPU: 1253.18, 0.00299415/step Wall: 1253.18, 0.00299415/step, 3.81072 hours remaining, 207.386719 MB of memory in use. ENERGY: 418200 726.3273 2065.3944 1925.9315 104.8470 -206302.4889 17708.2957 0.0000 0.0000 34383.4898 -149388.2031 300.2796 -183771.6929 -149296.9428 299.0103 64.2027 96.7400 555550.6830 19.2478 19.4457 PRESSURE: 418400 -57.5934 -4.78302 44.8309 -4.78344 -51.5573 114.119 44.8305 114.118 311.23 GPRESSURE: 418400 -16.0837 -11.5642 -22.7771 12.4758 -41.7812 210.686 10.3145 62.2823 363.817 PRESSAVG: 418400 72.4324 -38.5325 -27.2459 -38.5325 -37.862 18.2975 -27.2459 18.2974 12.0862 GPRESSAVG: 418400 72.2808 -36.7706 -28.0768 -39.3649 -39.3421 16.6016 -26.919 18.9547 13.24 TIMING: 418400 CPU: 1253.78, 0.00299639/step Wall: 1253.78, 0.00299639/step, 3.8134 hours remaining, 207.386719 MB of memory in use. ENERGY: 418400 736.1520 2038.4532 1959.5820 104.8442 -206450.4758 17933.6416 0.0000 0.0000 34133.8222 -149543.9807 298.0992 -183677.8029 -149442.7617 298.0671 67.3597 101.9840 555960.1113 15.5522 15.3929 PRESSURE: 418600 -40.4054 72.9195 -73.4661 72.9192 -15.6228 26.2823 -73.4667 26.283 71.4472 GPRESSURE: 418600 8.35292 114.266 -82.3369 73.5218 -11.7369 10.7351 -43.4386 43.5657 125.818 PRESSAVG: 418600 -40.9672 24.9602 -37.2103 24.9603 -35.276 83.3234 -37.2102 83.3233 54.8736 GPRESSAVG: 418600 -41.5145 24.2162 -34.795 26.0482 -33.9005 82.4291 -37.749 83.3366 54.4996 TIMING: 418600 CPU: 1254.38, 0.00300183/step Wall: 1254.38, 0.00300183/step, 3.82017 hours remaining, 207.386719 MB of memory in use. ENERGY: 418600 730.7570 2062.8610 1913.4390 115.1753 -206524.6772 18080.2650 0.0000 0.0000 34140.0337 -149482.1461 298.1534 -183622.1799 -149388.4645 297.9559 5.1397 40.8115 557962.5938 -7.1232 -6.9718 PRESSURE: 418800 33.5634 61.5446 -53.5087 61.5445 -3.82711 -38.0748 -53.5091 -38.0763 13.9226 GPRESSURE: 418800 42.6685 172.341 -26.3296 67.3356 21.229 -148.714 -45.2851 -22.1636 75.0468 PRESSAVG: 418800 100.866 32.8549 -33.3885 32.855 -63.5939 -11.1469 -33.3887 -11.1469 2.06182 GPRESSAVG: 418800 101.525 35.2022 -33.4342 30.3877 -64.7218 -9.9918 -31.9514 -10.9977 2.50139 TIMING: 418800 CPU: 1254.98, 0.00301646/step Wall: 1254.98, 0.00301646/step, 3.83862 hours remaining, 207.386719 MB of memory in use. ENERGY: 418800 752.6234 2063.7712 1929.2713 117.9668 -206194.4023 17853.7799 0.0000 0.0000 34160.4325 -149316.5572 298.3316 -183476.9898 -149218.7970 298.6755 14.5529 46.3147 557959.1648 13.1112 13.1016 PRESSURE: 419000 177.059 214.061 -54.1333 214.061 48.7167 -32.4046 -54.1348 -32.4065 114.823 GPRESSURE: 419000 167.129 229.299 2.61322 134.862 67.1989 -42.47 -37.6893 -27.6431 196.751 PRESSAVG: 419000 -48.3566 -6.3476 51.3055 -6.34753 -29.8116 43.0968 51.3055 43.0968 50.5895 GPRESSAVG: 419000 -48.6945 -9.65682 55.118 -4.81382 -28.8445 42.9306 47.9116 43.601 50.6769 TIMING: 419000 CPU: 1255.58, 0.00299779/step Wall: 1255.58, 0.00299779/step, 3.81469 hours remaining, 207.386719 MB of memory in use. ENERGY: 419000 768.0852 2035.2050 1939.9189 108.9915 -206359.8403 18056.2981 0.0000 0.0000 34363.2695 -149088.0722 300.1030 -183451.3417 -148987.0103 299.6245 113.5329 143.6930 558053.5797 -9.1929 -8.9540 PRESSURE: 419200 -234.437 -43.5251 -214.837 -43.5244 92.6661 -88.9712 -214.837 -88.9708 -182.307 GPRESSURE: 419200 -184.41 -100.047 -217.691 1.54493 134.26 -88.74 -220.56 -70.5318 -174.761 PRESSAVG: 419200 7.26126 2.35348 -82.3842 2.35357 4.18175 39.7933 -82.3842 39.7932 3.5983 GPRESSAVG: 419200 7.89308 5.07436 -86.965 1.68189 5.17789 39.2984 -77.6179 41.7717 2.54326 TIMING: 419200 CPU: 1256.18, 0.0029787/step Wall: 1256.18, 0.0029787/step, 3.79023 hours remaining, 207.386719 MB of memory in use. ENERGY: 419200 723.4852 2110.7163 1937.6987 104.7133 -205935.2464 17598.0243 0.0000 0.0000 34237.3038 -149223.3048 299.0029 -183460.6086 -149120.6971 299.7802 -108.0257 -74.9704 558593.1472 5.0138 5.2047 PRESSURE: 419400 -412.603 -9.53167 -35.2189 -9.53083 -259.136 -88.4979 -35.2189 -88.4982 -147.147 GPRESSURE: 419400 -398.958 -15.213 -83.1311 -27.1916 -265.129 -63.807 -127.141 -137.599 -59.3719 PRESSAVG: 419400 15.4565 14.052 -8.63772 14.0519 53.2717 -44.351 -8.63781 -44.3511 -42.9564 GPRESSAVG: 419400 15.5302 10.6714 -8.41374 15.208 52.5179 -44.2946 -10.849 -48.1682 -41.8651 TIMING: 419400 CPU: 1256.77, 0.00298529/step Wall: 1256.77, 0.00298529/step, 3.79845 hours remaining, 207.386719 MB of memory in use. ENERGY: 419400 757.5102 2087.8762 1949.6909 120.1480 -205955.2711 17551.9333 0.0000 0.0000 34247.8624 -149240.2501 299.0951 -183488.1125 -149137.9076 299.4100 -272.9618 -241.1528 558646.8185 8.5906 8.7277 PRESSURE: 419600 -229.602 -36.7261 -159.268 -36.7262 -41.6444 -8.52645 -159.269 -8.5256 -182.377 GPRESSURE: 419600 -213.734 -62.9157 -182.305 -12.2662 12.7943 20.3966 -132.182 5.75816 -166.468 PRESSAVG: 419600 -34.5565 -22.951 -31.6215 -22.9509 -42.6441 52.5797 -31.6215 52.5798 38.1504 GPRESSAVG: 419600 -34.0858 -22.3469 -31.8492 -21.3064 -43.3151 54.6223 -30.9602 52.9138 38.4505 TIMING: 419600 CPU: 1257.38, 0.00300788/step Wall: 1257.38, 0.00300788/step, 3.82702 hours remaining, 207.386719 MB of memory in use. ENERGY: 419600 748.6038 2065.9499 1926.4094 102.9288 -206043.6284 17688.7672 0.0000 0.0000 34290.6505 -149220.3186 299.4688 -183510.9692 -149125.9444 298.9280 -151.2076 -122.4693 558527.3429 -13.0167 -12.9834 PRESSURE: 419800 -221.52 249.61 98.1814 249.609 -161.966 -82.2429 98.1807 -82.2447 46.0229 GPRESSURE: 419800 -194.857 214.718 159.595 209.08 -109.675 -86.4093 28.7837 -116.805 67.9301 PRESSAVG: 419800 -21.777 28.0705 34.4079 28.0703 16.6332 78.2079 34.4078 78.2079 26.19 GPRESSAVG: 419800 -21.5297 29.7928 34.8714 26.5496 17.7506 74.78 32.6332 79.5383 24.431 TIMING: 419800 CPU: 1257.98, 0.00299833/step Wall: 1257.98, 0.00299833/step, 3.81471 hours remaining, 207.386719 MB of memory in use. ENERGY: 419800 757.2805 2080.7151 1940.0059 114.3291 -205848.4607 17694.2904 0.0000 0.0000 33991.6102 -149270.2294 296.8572 -183261.8396 -149176.5948 299.0151 -112.4877 -78.8672 557346.7479 7.0154 6.8840 PRESSURE: 420000 -46.9902 97.3325 -81.5563 97.3324 223.349 142.479 -81.5563 142.477 121.98 GPRESSURE: 420000 -29.2252 99.4608 -121.359 156.517 239.694 136.271 -44.0739 175.556 176.6 PRESSAVG: 420000 -8.28858 61.7583 19.5765 61.7582 7.70215 12.7429 19.5766 12.7429 -11.8282 GPRESSAVG: 420000 -8.95749 61.6228 20.7945 59.128 7.05419 13.7122 18.7717 12.0793 -10.6864 TIMING: 420000 CPU: 1258.58, 0.00300433/step Wall: 1258.58, 0.00300433/step, 3.82217 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: 420000 746.8616 2117.8696 1944.6072 104.6628 -206261.7147 17872.6483 0.0000 0.0000 34311.3640 -149163.7013 299.6497 -183475.0653 -149067.7102 299.4755 99.4462 129.0229 557836.2794 -4.1382 -4.1966 PRESSURE: 420200 -186.874 68.8448 -77.38 68.8461 35.1313 -28.5082 -77.3807 -28.5075 104.444 GPRESSURE: 420200 -108.47 26.8711 -207.375 104.155 60.3161 -47.5168 -7.01239 -16.4203 93.5785 PRESSAVG: 420200 -51.7505 64.7676 23.9031 64.7677 16.4335 -21.7943 23.9031 -21.7943 51.7159 GPRESSAVG: 420200 -52.6153 63.0651 21.1649 67.4986 18.0214 -23.4506 25.5298 -21.2202 51.0381 TIMING: 420200 CPU: 1259.18, 0.00300391/step Wall: 1259.18, 0.00300391/step, 3.82148 hours remaining, 207.386719 MB of memory in use. ENERGY: 420200 708.3457 2132.2123 1959.4474 113.0150 -206113.1014 17704.1733 0.0000 0.0000 34306.2729 -149189.6348 299.6052 -183495.9077 -149095.3722 299.2570 -15.7663 15.1416 557454.2073 5.4663 5.4814 LDB: ============= START OF LOAD BALANCING ============== 1262.69 LDB: ============== END OF LOAD BALANCING =============== 1262.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1262.7 LDB: ============= START OF LOAD BALANCING ============== 1263 LDB: Largest compute 4773 load 0.028966 is 24.6% of average load 0.117838 LDB: Average compute 0.001736 is 1.5% of average load 0.117838 LDB: TIME 1263 LOAD: AVG 0.117838 MAX 0.211564 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.59 MB LDB: TIME 1263 LOAD: AVG 0.117838 MAX 0.211564 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.59 MB LDB: TIME 1263 LOAD: AVG 0.117838 MAX 0.211564 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.59 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1263 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1263.01 PRESSURE: 420400 -214.372 131.491 95.1648 131.491 -371.901 -148.081 95.1647 -148.081 -112.275 GPRESSURE: 420400 -234.447 40.2167 108.752 145.469 -281.139 -229.791 101.099 -71.9546 -84.8703 PRESSAVG: 420400 -75.066 -6.62819 14.0783 -6.62824 35.2852 -50.1462 14.0783 -50.1461 33.7298 GPRESSAVG: 420400 -73.9101 -6.5068 15.676 -7.68396 33.3738 -48.8156 14.8256 -51.0698 34.8792 TIMING: 420400 CPU: 1259.79, 0.00306029/step Wall: 1259.79, 0.00306029/step, 3.89303 hours remaining, 205.230469 MB of memory in use. ENERGY: 420400 782.6274 2108.9624 1962.8865 114.3413 -205881.1133 17624.5100 0.0000 0.0000 34241.4823 -149046.3033 299.0394 -183287.7856 -148950.0413 299.7809 -232.8493 -200.1519 559127.6422 -2.0170 -1.8857 PRESSURE: 420600 -57.7873 63.668 -105.43 63.6686 128.948 -182.409 -105.429 -182.409 -174.615 GPRESSURE: 420600 -22.5794 46.2886 -72.405 51.1669 123.962 -87.8515 -189.627 -243.33 -115.507 PRESSAVG: 420600 -10.0937 -10.3827 61.7029 -10.3827 -62.9254 -8.67222 61.703 -8.67227 40.185 GPRESSAVG: 420600 -9.2706 -8.73848 61.4815 -11.6252 -63.2843 -9.16999 59.7128 -6.79235 40.0713 TIMING: 420600 CPU: 1260.39, 0.0030044/step Wall: 1260.39, 0.0030044/step, 3.82176 hours remaining, 205.230469 MB of memory in use. ENERGY: 420600 720.4621 2132.6252 1944.6056 115.3807 -205699.6403 17512.7522 0.0000 0.0000 34289.9623 -148983.8524 299.4628 -183273.8147 -148891.1440 299.8051 -34.4849 -4.7082 557735.6399 -10.9447 -10.8279 PRESSURE: 420800 -104.958 262.74 60.371 262.74 91.6414 91.2317 60.3704 91.2302 -389.541 GPRESSURE: 420800 -131.073 207.242 65.7965 225.758 155.074 21.2057 27.0701 68.2082 -341.92 PRESSAVG: 420800 -22.2144 -20.569 31.6545 -20.5691 -64.1685 33.2579 31.6544 33.2579 17.7095 GPRESSAVG: 420800 -22.9966 -25.1871 31.556 -16.81 -63.8416 33.2723 32.9262 33.1787 17.9106 TIMING: 420800 CPU: 1261, 0.00303239/step Wall: 1261, 0.00303239/step, 3.8572 hours remaining, 205.230469 MB of memory in use. ENERGY: 420800 790.3246 2081.1115 1921.2410 121.7975 -206136.4474 17893.5884 0.0000 0.0000 34174.6776 -149153.7067 298.4560 -183328.3843 -149054.3591 299.5740 -134.2859 -105.9729 559778.0843 -22.8911 -22.9759 PRESSURE: 421000 -36.2076 -49.0321 -138.36 -49.032 -160.978 -12.3656 -138.359 -12.366 -289.285 GPRESSURE: 421000 44.4876 -21.1729 -96.6039 -85.8547 -137.748 -34.9374 -99.2723 -46.7333 -290.262 PRESSAVG: 421000 7.22467 7.63965 13.1317 7.63973 30.0656 -13.821 13.1318 -13.8211 -24.9461 GPRESSAVG: 421000 8.29249 10.2709 11.6888 5.82059 29.5769 -14.6662 12.4035 -14.006 -25.2925 TIMING: 421000 CPU: 1261.6, 0.00301461/step Wall: 1261.6, 0.00301461/step, 3.83442 hours remaining, 205.230469 MB of memory in use. ENERGY: 421000 737.6322 2073.9431 1935.3462 99.3382 -205844.4880 17562.6865 0.0000 0.0000 34179.0401 -149256.5017 298.4941 -183435.5418 -149158.5729 299.0536 -162.1570 -127.8409 557794.4101 4.1147 4.1923 PRESSURE: 421200 -38.2766 -4.65796 148.771 -4.65768 -238.593 7.73577 148.77 7.73418 -33.8526 GPRESSURE: 421200 -15.3349 -94.0877 136.506 117.692 -228.371 47.3172 87.2553 -40.3897 13.5418 PRESSAVG: 421200 -2.25586 31.76 -38.4537 31.7599 -14.4813 -15.5232 -38.4537 -15.5231 23.8 GPRESSAVG: 421200 -2.76552 30.2441 -37.0764 33.6302 -14.0155 -15.0563 -40.2892 -17.6507 23.3759 TIMING: 421200 CPU: 1262.2, 0.00298475/step Wall: 1262.2, 0.00298475/step, 3.79627 hours remaining, 205.230469 MB of memory in use. ENERGY: 421200 737.6324 2110.4662 1922.9857 120.1198 -206253.6834 17645.3496 0.0000 0.0000 34426.4261 -149290.7036 300.6545 -183717.1297 -149201.0308 299.3275 -103.5741 -76.7215 557871.8752 2.3543 2.1983 PRESSURE: 421400 -109.615 85.2418 128.746 85.2415 6.94879 58.9779 128.747 58.9787 -0.844991 GPRESSURE: 421400 -31.361 -0.124406 58.6134 45.3938 -10.0867 30.8185 127.7 -17.6114 19.273 PRESSAVG: 421400 26.7153 73.2809 -14.3381 73.2809 9.65979 42.9108 -14.3381 42.9107 -34.697 GPRESSAVG: 421400 26.1908 74.0616 -15.4188 69.8086 10.9422 44.4994 -11.9977 43.0082 -35.5241 TIMING: 421400 CPU: 1262.79, 0.00297203/step Wall: 1262.79, 0.00297203/step, 3.77992 hours remaining, 205.230469 MB of memory in use. ENERGY: 421400 732.2210 1996.3556 1925.8103 111.1810 -206021.6753 17819.6166 0.0000 0.0000 34092.7733 -149343.7174 297.7407 -183436.4908 -149246.7733 299.1250 -34.5038 -7.3916 557223.7272 0.5594 0.5363 PRESSURE: 421600 17.5933 -41.9537 67.142 -41.9531 -36.1008 -239.145 67.1411 -239.145 -94.0527 GPRESSURE: 421600 31.2214 -59.2793 88.7325 -16.7637 -14.7211 -214.148 30.3131 -280.213 -47.3281 PRESSAVG: 421600 3.0587 -5.19875 51.458 -5.19877 -35.1417 -11.9073 51.458 -11.9074 19.8226 GPRESSAVG: 421600 1.68086 -4.64552 51.2195 -3.9769 -34.7354 -11.9697 49.0628 -11.2948 20.1645 TIMING: 421600 CPU: 1263.39, 0.00298624/step Wall: 1263.39, 0.00298624/step, 3.79784 hours remaining, 205.230469 MB of memory in use. ENERGY: 421600 742.8677 2069.9507 1937.2133 114.1733 -206300.3002 17807.4632 0.0000 0.0000 34249.7869 -149378.8451 299.1119 -183628.6320 -149282.9022 298.7470 -37.5201 -10.2759 557400.9290 -4.0868 -4.2967 PRESSURE: 421800 80.1185 23.6132 78.3869 23.6138 52.3466 136.567 78.3867 136.566 -60.1667 GPRESSURE: 421800 87.2878 -16.1709 115.861 -21.5008 131.712 110.106 51.6053 108.815 -40.8235 PRESSAVG: 421800 72.762 -25.9993 30.6353 -25.9993 -6.50035 -6.84365 30.6353 -6.84362 -40.8077 GPRESSAVG: 421800 72.9703 -24.6496 31.4197 -28.2286 -7.86484 -10.1349 31.4672 -5.32587 -39.9099 TIMING: 421800 CPU: 1263.99, 0.00299323/step Wall: 1263.99, 0.00299323/step, 3.80655 hours remaining, 205.230469 MB of memory in use. ENERGY: 421800 738.5818 2056.6877 1946.6808 112.6826 -206555.4475 18038.7354 0.0000 0.0000 34266.5273 -149395.5519 299.2581 -183662.0792 -149293.5697 298.6644 24.0995 59.3923 557345.8606 8.4846 8.3985 PRESSURE: 422000 -73.9037 -13.62 -3.381 -13.6204 -165.023 -120.456 -3.38078 -120.455 -166.075 GPRESSURE: 422000 -22.0384 83.7068 -58.0671 -17.6984 -191.211 -203.194 -56.0142 -66.4977 -92.9466 PRESSAVG: 422000 -47.6747 -4.27526 17.369 -4.27521 51.3117 -8.71626 17.3691 -8.7162 -2.85176 GPRESSAVG: 422000 -47.7871 -6.98732 16.359 0.201003 51.482 -9.14282 20.4936 -8.00082 -2.62921 TIMING: 422000 CPU: 1264.59, 0.00302289/step Wall: 1264.59, 0.00302289/step, 3.8441 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: 422000 717.0720 2099.1394 1957.1097 130.8939 -206062.2738 17625.0804 0.0000 0.0000 34347.1302 -149185.8480 299.9620 -183532.9783 -149087.3119 299.0234 -135.0006 -102.0653 557100.7875 0.2617 0.3552 PRESSURE: 422200 155.361 -34.4437 -30.2672 -34.4421 220.866 -133.773 -30.2676 -133.775 -78.6935 GPRESSURE: 422200 203.843 -47.3841 -12.1478 60.6837 245.027 -203.698 -12.3157 -67.4398 -51.8464 PRESSAVG: 422200 15.3762 14.4924 -0.262721 14.4925 -14.9691 -29.0818 -0.262746 -29.0818 6.84355 GPRESSAVG: 422200 15.5115 18.3799 2.54205 13.843 -14.4019 -27.9905 -2.01196 -28.3272 6.19386 TIMING: 422200 CPU: 1265.19, 0.0029761/step Wall: 1265.19, 0.0029761/step, 3.78444 hours remaining, 205.230469 MB of memory in use. ENERGY: 422200 730.4209 2012.0169 1948.6764 112.5920 -206183.0230 17913.3834 0.0000 0.0000 34166.9729 -149298.9604 298.3887 -183465.9333 -149197.7332 298.6185 99.1781 132.3414 557556.6186 2.4169 2.4345 PRESSURE: 422400 179.296 -161.07 38.702 -161.07 2.35449 63.1365 38.7025 63.1355 131.157 GPRESSURE: 422400 212.338 -127.205 57.3989 -218.169 40.3567 154.403 37.5773 -92.0888 157.645 PRESSAVG: 422400 47.5704 15.022 25.3715 15.0221 17.6535 -25.4635 25.3715 -25.4636 -26.8168 GPRESSAVG: 422400 46.7218 14.2759 23.9785 12.7152 17.9997 -24.7911 25.1473 -27.731 -26.4087 TIMING: 422400 CPU: 1265.78, 0.00297753/step Wall: 1265.78, 0.00297753/step, 3.78609 hours remaining, 205.230469 MB of memory in use. ENERGY: 422400 715.9969 2091.1949 1967.5777 121.0850 -206249.0045 17907.6992 0.0000 0.0000 34255.2683 -149190.1824 299.1598 -183445.4507 -149087.5933 298.5940 104.2690 136.7801 556554.9706 12.8024 12.7710 PRESSURE: 422600 91.1891 46.7236 106.823 46.7226 -146.264 -54.0437 106.823 -54.0438 -194.848 GPRESSURE: 422600 149.917 29.6693 141.762 135.486 -150.122 -47.1505 50.0826 -45.8979 -142.17 PRESSAVG: 422600 51.5788 26.924 -5.28386 26.924 -32.4006 1.05008 -5.284 1.05008 -19.3858 GPRESSAVG: 422600 53.3516 25.9643 -5.06161 25.9071 -33.8302 2.19077 -4.77424 2.0586 -19.6023 TIMING: 422600 CPU: 1266.38, 0.00300553/step Wall: 1266.38, 0.00300553/step, 3.82153 hours remaining, 205.230469 MB of memory in use. ENERGY: 422600 738.9680 2095.9243 1921.2723 111.8998 -206239.0953 17817.6903 0.0000 0.0000 34296.7991 -149256.5415 299.5225 -183553.3406 -149164.7697 299.8153 -83.3075 -47.4583 559189.8815 -0.0692 -0.0270 PRESSURE: 422800 105.651 61.9828 -28.0377 61.9819 -76.507 -206.272 -28.0369 -206.273 -157.721 GPRESSURE: 422800 79.7359 184.026 -23.2638 78.1012 -23.1282 -172.384 -62.8578 -213.16 -101.302 PRESSAVG: 422800 -28.7319 38.285 21.8065 38.2852 27.0148 -18.4636 21.8065 -18.4635 -30.4716 GPRESSAVG: 422800 -29.8453 38.5565 21.9104 40.3019 28.3085 -19.2658 22.4483 -19.4304 -30.914 TIMING: 422800 CPU: 1266.99, 0.00303649/step Wall: 1266.99, 0.00303649/step, 3.86073 hours remaining, 205.230469 MB of memory in use. ENERGY: 422800 758.6198 1996.1774 1959.5861 106.4474 -206311.8256 17923.5436 0.0000 0.0000 34407.0908 -149160.3606 300.4857 -183567.4514 -149062.4418 299.3574 -42.8589 -14.8980 558589.1152 -10.7296 -10.8169 PRESSURE: 423000 -77.9071 -28.3073 84.9911 -28.307 -128.038 38.1885 84.9906 38.1889 -58.2811 GPRESSURE: 423000 18.8819 -133.645 27.8661 49.3175 -136.085 44.388 67.9754 63.4777 -37.3117 PRESSAVG: 423000 17.3313 53.1215 27.6529 53.1215 10.7198 7.09132 27.6529 7.09128 -30.0502 GPRESSAVG: 423000 19.0329 52.1041 25.0882 52.2292 10.7471 6.18092 27.8555 7.26498 -31.657 TIMING: 423000 CPU: 1267.6, 0.0030235/step Wall: 1267.6, 0.0030235/step, 3.84405 hours remaining, 205.230469 MB of memory in use. ENERGY: 423000 724.7416 2054.2847 1953.3012 112.3851 -205862.3613 17620.3622 0.0000 0.0000 34259.9486 -149137.3380 299.2007 -183397.2865 -149036.5288 299.4064 -88.0755 -51.5049 557101.6563 -0.6664 -0.6257 PRESSURE: 423200 -313.861 -148.229 -93.7856 -148.229 -176.41 -59.7856 -93.7848 -59.7852 -83.4885 GPRESSURE: 423200 -253.171 -114.491 -67.6846 -95.9165 -135.3 -128.926 -99.0028 -84.0202 -80.7088 PRESSAVG: 423200 17.68 12.0734 -11.1984 12.0734 2.67472 -55.1961 -11.1984 -55.1962 -43.5678 GPRESSAVG: 423200 16.3431 11.8224 -9.45634 12.315 3.04248 -54.9214 -12.6387 -53.9042 -41.9427 TIMING: 423200 CPU: 1268.2, 0.00303348/step Wall: 1268.2, 0.00303348/step, 3.85656 hours remaining, 205.230469 MB of memory in use. ENERGY: 423200 735.2680 2035.2330 1928.8748 120.2262 -205844.8997 17520.9164 0.0000 0.0000 34278.2376 -149226.1437 299.3604 -183504.3813 -149138.4219 299.7830 -191.2532 -156.3931 558822.5867 -7.7377 -7.5190 PRESSURE: 423400 -124.956 -37.2087 -52.3623 -37.2085 159.232 -13.9174 -52.3622 -13.9178 -109.061 GPRESSURE: 423400 -78.3893 -75.0558 16.4922 -59.5798 148.819 35.4675 -48.3912 -34.6461 -53.9955 PRESSAVG: 423400 -56.8973 -18.0165 3.47578 -18.0166 67.5414 19.2348 3.47579 19.2349 -7.98684 GPRESSAVG: 423400 -56.5484 -17.4282 3.951 -18.5636 66.8641 20.524 4.46139 19.1133 -7.68432 TIMING: 423400 CPU: 1268.81, 0.00304165/step Wall: 1268.81, 0.00304165/step, 3.86678 hours remaining, 205.230469 MB of memory in use. ENERGY: 423400 711.9318 2034.3641 1935.1734 100.9028 -206033.0560 17719.6472 0.0000 0.0000 34108.9354 -149422.1012 297.8818 -183531.0366 -149322.4342 298.8154 -24.9283 5.4779 557690.0324 0.8858 0.8771 PRESSURE: 423600 179.208 -61.2095 69.3505 -61.209 -153.435 65.1805 69.3509 65.1818 -149.695 GPRESSURE: 423600 212.82 -50.0889 86.1061 -72.9321 -103.342 7.24722 43.3868 102.989 -131.338 PRESSAVG: 423600 -17.2734 -29.9936 -56.1281 -29.9935 26.1562 1.55988 -56.1281 1.55999 -26.5354 GPRESSAVG: 423600 -17.7853 -29.9384 -55.5817 -30.4926 26.2495 0.00407512 -56.9653 -0.0843832 -26.4127 TIMING: 423600 CPU: 1269.42, 0.00306327/step Wall: 1269.42, 0.00306327/step, 3.89409 hours remaining, 205.230469 MB of memory in use. ENERGY: 423600 735.1683 2060.1548 1932.8148 104.7176 -206139.6983 17628.6394 0.0000 0.0000 34285.4484 -149392.7550 299.4233 -183678.2034 -149295.4868 298.8145 -41.3072 -7.2868 556079.3784 -5.8842 -5.9828 PRESSURE: 423800 -226.113 117.142 -127.15 117.14 162.891 70.0579 -127.15 70.0578 -32.7761 GPRESSURE: 423800 -167.471 131.953 -177.571 83.367 246.259 56.6342 -85.546 -41.0225 -71.016 PRESSAVG: 423800 9.70057 45.0479 -11.3364 45.0478 3.56475 -7.72432 -11.3365 -7.72427 16.0397 GPRESSAVG: 423800 10.7049 46.7384 -13.3863 44.268 3.73358 -5.3551 -10.68 -8.14855 14.769 TIMING: 423800 CPU: 1270.03, 0.0030399/step Wall: 1270.03, 0.0030399/step, 3.86423 hours remaining, 205.230469 MB of memory in use. ENERGY: 423800 745.1129 2114.6514 1940.4859 116.7975 -206161.5449 17776.6455 0.0000 0.0000 34102.5068 -149365.3449 297.8257 -183467.8518 -149268.4194 298.4412 -31.9997 2.5908 556051.1784 9.7683 9.7358 PRESSURE: 424000 -233.731 -46.4561 -33.7761 -46.4564 -47.1289 68.708 -33.7767 68.7069 -147.79 GPRESSURE: 424000 -151.773 -55.5715 -55.4821 -98.945 -58.1968 162.265 -24.6336 48.1839 -116.384 PRESSAVG: 424000 -55.6581 -25.6948 -48.0274 -25.6948 57.1703 -19.1264 -48.0275 -19.1263 9.11089 GPRESSAVG: 424000 -55.8172 -26.1119 -45.6776 -25.089 57.2012 -19.2181 -48.3408 -19.1072 9.38392 TIMING: 424000 CPU: 1270.64, 0.00304194/step Wall: 1270.64, 0.00304194/step, 3.86665 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: 424000 722.6672 2086.6942 1965.6118 102.9082 -206538.3709 17944.7035 0.0000 0.0000 34338.2078 -149377.5781 299.8841 -183715.7859 -149282.2606 298.8699 -142.8834 -108.7845 558034.3155 3.5410 3.5893 PRESSURE: 424200 153.918 -74.0642 157.617 -74.0654 149.009 -125.753 157.617 -125.754 -77.562 GPRESSURE: 424200 190.236 -100.025 169.581 -68.4117 153.605 -91.4249 105.548 -68.0938 -15.5022 PRESSAVG: 424200 -9.03289 -23.3764 -37.6337 -23.3764 -7.58399 -20.0124 -37.6337 -20.0123 -6.44076 GPRESSAVG: 424200 -9.27648 -25.5773 -41.9535 -22.3463 -7.64285 -20.7424 -35.2781 -20.0795 -6.4093 TIMING: 424200 CPU: 1271.24, 0.00301755/step Wall: 1271.24, 0.00301755/step, 3.83547 hours remaining, 205.230469 MB of memory in use. ENERGY: 424200 727.7184 2082.3347 1958.2639 102.1802 -206457.1343 17824.5432 0.0000 0.0000 34308.8619 -149453.2319 299.6278 -183762.0938 -149355.4429 299.3700 75.1217 109.4461 556551.1427 -7.6859 -7.7762 LDB: ============= START OF LOAD BALANCING ============== 1274.76 LDB: ============== END OF LOAD BALANCING =============== 1274.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1274.76 LDB: ============= START OF LOAD BALANCING ============== 1275.06 LDB: Largest compute 4800 load 0.030048 is 25.5% of average load 0.117764 LDB: Average compute 0.001723 is 1.5% of average load 0.117764 LDB: TIME 1275.07 LOAD: AVG 0.117764 MAX 0.211272 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.023 MB LDB: TIME 1275.07 LOAD: AVG 0.117764 MAX 0.211272 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: TIME 1275.07 LOAD: AVG 0.117764 MAX 0.211272 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1275.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1275.07 PRESSURE: 424400 -205.211 -75.1126 -60.1084 -75.1127 -355.742 87.0343 -60.1084 87.0357 -73.5864 GPRESSURE: 424400 -123.249 -10.4756 -78.19 29.5189 -266.867 63.0811 -7.3663 -34.2013 -140.69 PRESSAVG: 424400 -2.90183 -32.4397 35.8908 -32.4398 -30.7429 33.6677 35.8907 33.6678 6.69941 GPRESSAVG: 424400 -3.02724 -32.6961 38.7571 -30.2928 -30.0635 30.955 33.3467 35.3967 6.56714 TIMING: 424400 CPU: 1271.86, 0.0030617/step Wall: 1271.86, 0.0030617/step, 3.89142 hours remaining, 205.742188 MB of memory in use. ENERGY: 424400 726.4180 2108.4418 1941.5230 103.9210 -206063.7023 17678.9480 0.0000 0.0000 34034.6141 -149469.8363 297.2328 -183504.4505 -149382.2595 298.8743 -211.5132 -176.9354 558820.2041 -8.9818 -8.8412 PRESSURE: 424600 2.93419 -25.3523 -189.264 -25.3523 -69.6557 12.607 -189.263 12.607 -239.764 GPRESSURE: 424600 33.4763 47.1284 -253.301 -53.8886 -53.275 -11.7774 -104.23 12.5796 -190.448 PRESSAVG: 424600 25.2575 50.0207 42.8134 50.0206 -60.8182 -82.7611 42.8135 -82.7609 28.2491 GPRESSAVG: 424600 25.6759 51.7948 42.7601 46.7531 -62.574 -80.0381 42.3035 -83.6177 29.6306 TIMING: 424600 CPU: 1272.46, 0.00301728/step Wall: 1272.46, 0.00301728/step, 3.83479 hours remaining, 205.742188 MB of memory in use. ENERGY: 424600 739.5520 2024.1112 1977.2982 117.7694 -206352.2131 17809.3558 0.0000 0.0000 34178.7365 -149505.3902 298.4914 -183684.1266 -149410.2502 297.8523 -102.1619 -70.0824 559646.5614 -2.4372 -2.4225 PRESSURE: 424800 -204.832 -45.9305 -58.5915 -45.9295 -153.991 97.6186 -58.5926 97.6169 -240.715 GPRESSURE: 424800 -165.856 66.5701 -86.0117 -18.818 -79.4034 142.671 11.5662 65.6518 -248.483 PRESSAVG: 424800 99.5781 20.158 -61.3546 20.158 -71.7683 2.52716 -61.3546 2.52721 -30.5475 GPRESSAVG: 424800 99.5531 21.8408 -62.5715 19.1103 -70.8951 0.791164 -58.7503 2.6029 -32.0681 TIMING: 424800 CPU: 1273.06, 0.00302527/step Wall: 1273.06, 0.00302527/step, 3.84478 hours remaining, 205.742188 MB of memory in use. ENERGY: 424800 787.3116 2035.3716 1967.2467 112.9584 -206120.9816 17658.1335 0.0000 0.0000 34015.9739 -149543.9859 297.0700 -183559.9598 -149449.0086 297.7262 -199.8460 -164.5810 558832.9271 -0.9126 -1.1367 PRESSURE: 425000 -95.3072 -145.56 39.2628 -145.56 -6.30734 -149.663 39.2628 -149.663 -195.542 GPRESSURE: 425000 -59.9066 -57.9452 100.175 -210.918 -17.6281 -142.443 49.5956 -130.892 -110.892 PRESSAVG: 425000 13.6932 -12.3865 18.7578 -12.3866 63.952 -34.7937 18.7578 -34.7937 -72.8589 GPRESSAVG: 425000 13.5928 -12.2621 20.4478 -10.9903 63.3242 -33.689 17.9316 -34.691 -72.674 TIMING: 425000 CPU: 1273.67, 0.00303033/step Wall: 1273.67, 0.00303033/step, 3.85104 hours remaining, 205.742188 MB of memory in use. ENERGY: 425000 746.2457 2034.1983 1966.7060 102.2250 -206518.8226 17916.4200 0.0000 0.0000 34196.4137 -149556.6140 298.6458 -183753.0276 -149461.9589 298.2594 -99.0523 -62.8088 557812.0313 1.5954 1.4143 PRESSURE: 425200 -86.4939 -98.6637 -125.381 -98.6623 89.3183 41.0642 -125.382 41.064 120.281 GPRESSURE: 425200 -35.36 -77.8251 -172.789 -73.7825 77.9144 69.4651 -170.305 73.4796 162.174 PRESSAVG: 425200 -43.8877 16.7538 -19.0837 16.7538 -8.03507 -43.5115 -19.0839 -43.5115 53.4467 GPRESSAVG: 425200 -43.5794 16.8111 -19.5545 18.4553 -8.9537 -42.6219 -19.4559 -44.1849 53.8181 TIMING: 425200 CPU: 1274.27, 0.00300593/step Wall: 1274.27, 0.00300594/step, 3.81988 hours remaining, 205.742188 MB of memory in use. ENERGY: 425200 713.8531 2036.5774 1951.2214 111.8123 -206627.3470 18012.3052 0.0000 0.0000 34265.1524 -149536.4252 299.2461 -183801.5775 -149441.0716 298.3241 41.0350 68.2427 558339.5721 0.5080 0.4283 PRESSURE: 425400 82.9698 160.043 38.2211 160.043 107.079 44.5573 38.2213 44.5577 -10.1131 GPRESSURE: 425400 112.914 105.416 49.68 176.549 164.978 91.9642 -39.6861 18.6989 -1.91106 PRESSAVG: 425400 -31.3765 73.0619 -26.7453 73.0619 37.8358 -35.1339 -26.7452 -35.1339 12.9796 GPRESSAVG: 425400 -30.9181 73.3035 -24.2814 69.831 37.9936 -36.4037 -27.8658 -34.7868 12.6015 TIMING: 425400 CPU: 1274.87, 0.00300975/step Wall: 1274.87, 0.00300975/step, 3.82456 hours remaining, 205.742188 MB of memory in use. ENERGY: 425400 740.4758 2041.6082 1948.5294 119.8520 -206521.2984 18051.8221 0.0000 0.0000 34164.7841 -149454.2267 298.3696 -183619.0108 -149367.9444 297.7203 59.9784 91.9935 559020.9710 6.4796 6.5590 PRESSURE: 425600 158.969 47.8573 -89.9737 47.8564 84.9263 83.6757 -89.9741 83.6752 -120.307 GPRESSURE: 425600 151.543 57.8708 -34.3908 -12.5385 147.12 15.6099 -137.765 222.158 -76.2384 PRESSAVG: 425600 38.7502 92.5115 24.0666 92.5114 0.0175198 24.7033 24.0666 24.7033 -113.905 GPRESSAVG: 425600 38.304 91.7255 22.3808 94.69 0.207864 24.9761 25.0746 25.1432 -113.741 TIMING: 425600 CPU: 1275.47, 0.00299653/step Wall: 1275.47, 0.00299653/step, 3.80759 hours remaining, 205.742188 MB of memory in use. ENERGY: 425600 718.4955 2061.1037 1932.5293 107.2079 -206565.0432 17964.9833 0.0000 0.0000 34065.9724 -149714.7510 297.5066 -183780.7234 -149620.7566 297.6703 41.1963 74.1415 559249.0220 -25.0458 -25.0763 PRESSURE: 425800 287.687 -125.824 -78.4243 -125.824 -204.162 74.1595 -78.4244 74.1596 102.738 GPRESSURE: 425800 231.785 -39.6589 -23.1231 -161.568 -133.178 168.992 -137.728 12.8735 195.301 PRESSAVG: 425800 57.6738 -3.9809 -18.6301 -3.9809 -26.4329 11.8907 -18.63 11.8906 -7.33303 GPRESSAVG: 425800 57.4824 -2.86582 -18.1012 -4.65835 -26.6261 13.9098 -18.6589 10.2204 -7.02786 TIMING: 425800 CPU: 1276.07, 0.00297929/step Wall: 1276.07, 0.00297929/step, 3.78552 hours remaining, 205.742188 MB of memory in use. ENERGY: 425800 743.4053 2086.6758 1955.9230 108.8003 -206626.7180 18045.0907 0.0000 0.0000 34021.8297 -149664.9932 297.1211 -183686.8229 -149563.5076 297.8008 62.0876 97.9693 556289.0235 7.9693 7.9428 PRESSURE: 426000 35.5785 222.055 -20.0001 222.055 102.078 109.605 -19.9994 109.606 -23.9109 GPRESSURE: 426000 72.0905 216.554 -71.6432 113.82 176.937 70.3465 -48.1962 174.202 -34.5323 PRESSAVG: 426000 7.29956 20.6605 -5.11366 20.6606 18.3393 26.3561 -5.11365 26.3561 36.2425 GPRESSAVG: 426000 8.05849 18.9364 -7.03601 21.6445 18.8584 25.1084 -4.77826 29.7798 35.6499 TIMING: 426000 CPU: 1276.67, 0.0029964/step Wall: 1276.67, 0.0029964/step, 3.80709 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: 426000 740.1805 2029.4549 1963.4932 103.6970 -206430.2110 17912.8426 0.0000 0.0000 34170.2576 -149510.2854 298.4174 -183680.5429 -149413.4620 298.0986 37.9154 71.4984 555749.0865 20.6271 20.8556 PRESSURE: 426200 -270.724 23.7649 35.3939 23.7646 -171.908 134.91 35.3945 134.912 -229.468 GPRESSURE: 426200 -267.423 -14.7357 37.7162 1.30743 -132.325 119.026 100.441 126.513 -172.332 PRESSAVG: 426200 -12.8333 26.4619 -9.17515 26.462 36.472 -5.01159 -9.17509 -5.01139 30.6725 GPRESSAVG: 426200 -11.8897 27.5244 -10.5626 25.71 35.6571 -4.95702 -9.63051 -6.88754 30.8216 TIMING: 426200 CPU: 1277.27, 0.00300158/step Wall: 1277.27, 0.00300158/step, 3.81351 hours remaining, 205.742188 MB of memory in use. ENERGY: 426200 744.3860 2012.9483 1923.5931 114.3259 -205902.1918 17477.2398 0.0000 0.0000 34080.3554 -149549.3431 297.6322 -183629.6986 -149455.1245 298.7728 -224.0337 -190.6930 558114.3153 18.1037 18.1963 PRESSURE: 426400 -45.5153 -128.419 56.8699 -128.419 86.7819 24.6741 56.8708 24.6738 -93.5914 GPRESSURE: 426400 -0.841717 -99.3883 105.934 -169.714 103.372 41.2159 28.0569 -36.5143 -54.5634 PRESSAVG: 426400 -66.5376 -5.97813 -76.4217 -5.97806 -16.8943 40.6697 -76.4217 40.6697 44.7674 GPRESSAVG: 426400 -66.8494 -6.55158 -74.9945 -4.65125 -16.0101 39.7381 -77.0746 41.2393 44.5782 TIMING: 426400 CPU: 1277.87, 0.00299078/step Wall: 1277.87, 0.00299078/step, 3.79962 hours remaining, 205.742188 MB of memory in use. ENERGY: 426400 718.5228 2098.6265 1928.5934 107.6899 -206174.5392 17763.5887 0.0000 0.0000 33906.8032 -149650.7147 296.1165 -183557.5179 -149551.9086 297.6788 -17.4416 15.9890 556334.6354 -12.8882 -12.7605 PRESSURE: 426600 171.535 -82.8527 49.9858 -82.8534 116.423 161.885 49.986 161.884 269.655 GPRESSURE: 426600 200.651 -37.386 -63.0472 -161.949 137.24 146.666 62.1893 149.529 318.995 PRESSAVG: 426600 30.525 0.749245 -52.5623 0.749278 10.1544 51.9138 -52.5623 51.9138 -3.8494 GPRESSAVG: 426600 30.6434 1.27572 -52.7251 -0.350975 9.62372 53.6126 -52.9834 51.4849 -3.34928 TIMING: 426600 CPU: 1278.46, 0.00299003/step Wall: 1278.46, 0.00299003/step, 3.7985 hours remaining, 205.742188 MB of memory in use. ENERGY: 426600 712.3420 2094.6181 1920.0141 112.8803 -206975.9133 18215.4056 0.0000 0.0000 34156.1009 -149764.5524 298.2937 -183920.6533 -149674.0200 297.7867 185.8713 218.9622 555964.2176 12.2767 12.3060 PRESSURE: 426800 -69.2623 46.773 184.699 46.7723 155.934 -0.532441 184.7 -0.532874 304.403 GPRESSURE: 426800 -31.9194 44.613 271.754 93.6519 135.932 -73.5162 127.71 29.766 378.063 PRESSAVG: 426800 -6.21448 -22.3089 -33.9371 -22.3089 -23.8526 50.5471 -33.9371 50.547 14.7665 GPRESSAVG: 426800 -5.72853 -24.041 -32.3715 -21.2145 -24.7135 49.497 -36.2104 50.8326 15.3521 TIMING: 426800 CPU: 1279.06, 0.00299313/step Wall: 1279.06, 0.00299313/step, 3.80228 hours remaining, 205.742188 MB of memory in use. ENERGY: 426800 736.9960 2045.8223 1914.4378 108.9426 -207091.0767 18241.4330 0.0000 0.0000 34347.5913 -149695.8536 299.9661 -184043.4450 -149601.4831 297.8245 130.3582 160.6919 556528.6191 -5.1002 -5.0300 PRESSURE: 427000 -11.1569 229.532 10.9122 229.534 -200.243 -28.9503 10.9106 -28.9503 -11.1699 GPRESSURE: 427000 67.5107 199.09 -5.73031 262.304 -221.934 11.8832 15.3166 24.574 36.0751 PRESSAVG: 427000 24.408 43.0551 -2.92093 43.0551 -66.7394 37.24 -2.92091 37.2402 26.2349 GPRESSAVG: 427000 25.2417 44.9668 -4.24555 40.9968 -65.6943 38.257 0.572399 36.9017 25.5319 TIMING: 427000 CPU: 1279.66, 0.00298111/step Wall: 1279.66, 0.00298111/step, 3.78684 hours remaining, 205.742188 MB of memory in use. ENERGY: 427000 759.7126 2045.6827 1936.1709 103.7103 -206735.4154 18081.6637 0.0000 0.0000 34176.1929 -149632.2822 298.4692 -183808.4752 -149536.7336 298.5392 -74.1901 -39.4495 557724.8606 -5.3655 -4.9736 PRESSURE: 427200 57.9867 -124.306 91.8802 -124.305 35.8478 169.778 91.8803 169.778 -149.293 GPRESSURE: 427200 115.485 -73.6015 13.6315 -50.9115 68.5221 196.653 87.2971 103.311 -126.869 PRESSAVG: 427200 -22.1704 -5.91791 30.0462 -5.91785 -7.61381 30.0347 30.0462 30.0348 30.4538 GPRESSAVG: 427200 -22.5207 -7.12964 30.8518 -2.48414 -7.86563 27.8094 28.5918 31.6051 31.6151 TIMING: 427200 CPU: 1280.25, 0.00296469/step Wall: 1280.25, 0.00296469/step, 3.76581 hours remaining, 205.742188 MB of memory in use. ENERGY: 427200 676.3840 2080.6139 1938.3845 110.2686 -206548.5031 17972.2045 0.0000 0.0000 34190.3782 -149580.2694 298.5931 -183770.6476 -149479.2585 298.7927 -18.4861 19.0461 557609.4885 0.2232 0.4096 PRESSURE: 427400 -102.439 118.534 -126.539 118.533 -86.4324 -152.005 -126.539 -152.004 -52.0655 GPRESSURE: 427400 -2.50509 140.74 -80.5739 85.1366 -151.084 -177.147 -130.781 -164.756 14.1952 PRESSAVG: 427400 28.2797 -43.6103 12.4076 -43.6103 -19.5832 -30.0159 12.4076 -30.0159 1.44756 GPRESSAVG: 427400 27.7799 -45.2279 11.5792 -45.1447 -19.5426 -26.4698 12.1343 -33.8388 2.39006 TIMING: 427400 CPU: 1280.85, 0.00297351/step Wall: 1280.85, 0.00297351/step, 3.77686 hours remaining, 205.742188 MB of memory in use. ENERGY: 427400 728.6219 2064.9221 1941.2572 125.8067 -206392.5161 17748.4858 0.0000 0.0000 34018.6045 -149764.8180 297.0929 -183783.4225 -149667.3360 298.3500 -80.3125 -46.4647 556474.6321 3.3813 3.5425 PRESSURE: 427600 -250.758 -108.797 -81.6368 -108.797 -147.32 -143.449 -81.6357 -143.45 97.7403 GPRESSURE: 427600 -233.805 -103.507 -11.8536 -90.4208 -110.416 -126.335 -101.556 -151.06 153.85 PRESSAVG: 427600 -37.4751 -4.28177 -40.9257 -4.2817 1.08379 48.3318 -40.9257 48.3317 25.4974 GPRESSAVG: 427600 -36.8171 -1.64622 -40.2304 -5.46486 0.924107 45.3082 -40.176 51.4327 25.1535 TIMING: 427600 CPU: 1281.45, 0.00299806/step Wall: 1281.45, 0.00299806/step, 3.80787 hours remaining, 205.742188 MB of memory in use. ENERGY: 427600 726.7751 2131.6878 1925.2380 87.2899 -206436.8626 17692.8227 0.0000 0.0000 34276.1178 -149596.9313 299.3419 -183873.0491 -149498.0893 297.8920 -100.1124 -63.4572 557285.5835 -3.6313 -3.5798 PRESSURE: 427800 -214.329 57.3037 69.9482 57.3033 121.24 44.4728 69.9466 44.4737 -186.854 GPRESSURE: 427800 -196.939 66.042 2.35377 67.0455 160.954 -51.6641 25.1112 123.157 -149.907 PRESSAVG: 427800 10.0155 -6.56147 -21.5624 -6.56149 -32.0919 40.6151 -21.5624 40.6153 -7.96334 GPRESSAVG: 427800 9.06607 -6.73209 -19.2602 -7.61139 -31.9116 42.0531 -21.3724 37.9858 -7.65505 TIMING: 427800 CPU: 1282.05, 0.0029971/step Wall: 1282.05, 0.0029971/step, 3.80648 hours remaining, 205.742188 MB of memory in use. ENERGY: 427800 777.8054 2110.1505 1971.3892 107.9628 -206141.9979 17583.9166 0.0000 0.0000 34122.6364 -149468.1370 298.0015 -183590.7734 -149365.3263 298.4733 -93.3143 -61.9638 555529.8771 -10.0133 -10.1669 PRESSURE: 428000 -125.444 116.613 -5.19795 116.613 -261.699 -122.284 -5.19866 -122.283 80.5947 GPRESSURE: 428000 -106.171 104.086 17.936 116.918 -281.728 -156.265 -48.1827 -14.3043 186.432 PRESSAVG: 428000 -32.2026 -13.9616 30.5101 -13.9615 33.2305 25.5117 30.51 25.5118 -32.8937 GPRESSAVG: 428000 -32.9325 -13.0017 26.2391 -13.4248 33.2138 25.0118 31.0372 25.1006 -32.5348 TIMING: 428000 CPU: 1282.64, 0.00298517/step Wall: 1282.64, 0.00298517/step, 3.79116 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: 428000 747.4885 2058.7598 1932.2759 112.8558 -206320.0683 17736.4419 0.0000 0.0000 34212.3567 -149519.8895 298.7850 -183732.2463 -149422.7685 298.7923 -102.1830 -67.1555 558212.9835 -10.6219 -10.7511 PRESSURE: 428200 -180.915 24.0658 -98.8271 24.0661 -98.4836 293.276 -98.826 293.275 36.1631 GPRESSURE: 428200 -174.136 29.4006 -161.372 -13.0032 -35.0086 345.815 -173.966 273.328 76.0608 PRESSAVG: 428200 -17.0238 11.693 34.6728 11.693 -43.2485 12.9102 34.6728 12.9102 58.7498 GPRESSAVG: 428200 -16.531 11.9113 35.8475 11.6983 -42.4385 13.6973 34.3643 12.0366 57.7183 TIMING: 428200 CPU: 1283.24, 0.00298019/step Wall: 1283.24, 0.00298019/step, 3.78467 hours remaining, 205.742188 MB of memory in use. ENERGY: 428200 688.2079 2093.3401 1946.7610 110.0265 -206222.5762 17786.0343 0.0000 0.0000 34144.1614 -149454.0450 298.1895 -183598.2065 -149353.6371 298.5805 -81.0785 -44.3612 559756.1390 -0.5075 -0.4171 LDB: ============= START OF LOAD BALANCING ============== 1286.75 LDB: ============== END OF LOAD BALANCING =============== 1286.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1286.75 LDB: ============= START OF LOAD BALANCING ============== 1287.05 LDB: Largest compute 4800 load 0.030928 is 26.3% of average load 0.117768 LDB: Average compute 0.001724 is 1.5% of average load 0.117768 LDB: TIME 1287.06 LOAD: AVG 0.117768 MAX 0.210148 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.254 MB LDB: TIME 1287.06 LOAD: AVG 0.117768 MAX 0.210148 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.254 MB LDB: TIME 1287.06 LOAD: AVG 0.117768 MAX 0.210148 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.254 MB LDB: ============== END OF LOAD BALANCING =============== 1287.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1287.06 PRESSURE: 428400 157.632 71.8921 65.7798 71.8921 -189.129 70.2436 65.7796 70.2432 46.3841 GPRESSURE: 428400 154.416 92.453 -4.10165 76.9567 -138.545 40.9982 90.4279 84.195 93.7575 PRESSAVG: 428400 35.1354 -86.6568 31.1211 -86.6568 -66.3453 4.74249 31.1211 4.7425 73.6607 GPRESSAVG: 428400 34.7339 -89.5938 31.2717 -84.2531 -67.0226 3.73753 32.0983 7.45774 74.8499 TIMING: 428400 CPU: 1283.85, 0.00303516/step Wall: 1283.85, 0.00303516/step, 3.85432 hours remaining, 206.000000 MB of memory in use. ENERGY: 428400 689.1900 2094.1354 1938.3614 106.4304 -206383.9832 17883.0014 0.0000 0.0000 34260.7602 -149412.1044 299.2077 -183672.8646 -149318.7825 298.4331 4.9624 36.5429 559064.2687 14.1503 14.1871 PRESSURE: 428600 135.334 32.2068 67.7969 32.2059 15.651 112.1 67.7958 112.1 -134.749 GPRESSURE: 428600 181.673 45.5877 78.6382 40.3855 22.0593 158.639 178.879 139.992 -103.021 PRESSAVG: 428600 -14.3216 -13.3 -70.426 -13.3001 -37.2867 20.8315 -70.4261 20.8315 66.5284 GPRESSAVG: 428600 -14.5778 -10.9205 -69.879 -13.5541 -37.1903 22.0427 -71.7824 19.2319 66.1594 TIMING: 428600 CPU: 1284.44, 0.00295563/step Wall: 1284.44, 0.00295563/step, 3.75316 hours remaining, 206.203125 MB of memory in use. ENERGY: 428600 712.5673 2014.1823 1960.7900 111.7430 -206162.9878 17723.5729 0.0000 0.0000 34205.4154 -149434.7169 298.7244 -183640.1323 -149333.9723 298.4405 5.4121 33.5706 557521.6768 4.9733 4.7971 PRESSURE: 428800 -72.8258 -88.936 99.5776 -88.9343 254.564 -197.644 99.5767 -197.644 -77.3077 GPRESSURE: 428800 -49.819 -132.678 168.912 -22.9427 351.831 -221.472 23.4342 -193.809 -97.2595 PRESSAVG: 428800 41.0206 -20.6355 -53.2725 -20.6355 45.3486 26.6463 -53.2725 26.6464 -41.6886 GPRESSAVG: 428800 42.0988 -20.615 -55.9513 -19.384 46.298 25.4305 -52.4353 26.0858 -43.6809 TIMING: 428800 CPU: 1285.04, 0.00299156/step Wall: 1285.04, 0.00299156/step, 3.79862 hours remaining, 206.203125 MB of memory in use. ENERGY: 428800 714.3460 2057.5252 1924.4542 111.4475 -206218.4982 17794.1937 0.0000 0.0000 34218.7779 -149397.7539 298.8411 -183616.5318 -149294.7395 298.1871 34.8102 68.2509 556960.8616 14.8935 14.9053 PRESSURE: 429000 -48.8411 2.28149 -222.808 2.28157 137.437 -59.1839 -222.808 -59.1853 60.5247 GPRESSURE: 429000 -29.6823 22.1361 -135.774 47.4264 161.526 -76.1302 -234.42 12.3532 108.989 PRESSAVG: 429000 -82.0207 -8.00206 -61.4669 -8.00203 98.1104 -3.40019 -61.4669 -3.40017 -3.91241 GPRESSAVG: 429000 -83.4682 -7.56069 -59.4245 -9.47973 97.5421 -0.854056 -61.8809 -4.45525 -2.19092 TIMING: 429000 CPU: 1285.63, 0.00299036/step Wall: 1285.63, 0.00299036/step, 3.79693 hours remaining, 206.203125 MB of memory in use. ENERGY: 429000 737.0029 2029.8952 1956.4992 117.0591 -206044.7344 17645.0543 0.0000 0.0000 34216.4849 -149342.7389 298.8211 -183559.2237 -149251.4775 298.9984 49.7070 80.2775 556407.0673 4.0591 3.9610 PRESSURE: 429200 -62.5057 -161.693 -116.731 -161.691 -249.708 -39.8845 -116.73 -39.8846 -8.74835 GPRESSURE: 429200 -46.8923 -165.466 -137.154 -174.66 -222.501 -32.0181 -119.862 -50.0414 32.6792 PRESSAVG: 429200 15.909 -5.97338 -16.3603 -5.97335 62.772 -0.778892 -16.3604 -0.778966 2.46823 GPRESSAVG: 429200 16.3674 -8.29678 -15.7838 -5.05595 62.4668 -2.22708 -15.8511 -0.12084 2.16545 TIMING: 429200 CPU: 1286.23, 0.00298228/step Wall: 1286.23, 0.00298228/step, 3.7865 hours remaining, 206.203125 MB of memory in use. ENERGY: 429200 744.8448 1984.1778 1946.6249 112.0127 -206108.0687 17671.0759 0.0000 0.0000 34463.9437 -149185.3889 300.9822 -183649.3326 -149087.9270 298.7172 -106.9872 -78.9047 558468.8831 27.0497 26.9999 PRESSURE: 429400 -122.692 -43.9771 26.7471 -43.9772 -130.102 100.355 26.746 100.354 -246.768 GPRESSURE: 429400 -69.2934 -1.52792 -69.7036 -24.8584 -115.684 108.561 30.7667 98.6943 -229.79 PRESSAVG: 429400 38.8665 -54.1168 -47.3615 -54.1168 -26.5504 15.8438 -47.3614 15.8437 20.3982 GPRESSAVG: 429400 39.9552 -54.1057 -46.9637 -56.5427 -27.3611 15.9438 -49.7578 15.3149 20.0809 TIMING: 429400 CPU: 1286.83, 0.00298884/step Wall: 1286.83, 0.00298884/step, 3.79467 hours remaining, 206.203125 MB of memory in use. ENERGY: 429400 710.8686 2059.2459 1974.2936 107.9043 -205911.8507 17641.4782 0.0000 0.0000 34256.8902 -149161.1700 299.1739 -183418.0602 -149064.3233 299.1617 -166.5206 -138.2559 559734.9972 10.9048 10.8917 PRESSURE: 429600 -75.0797 78.6959 130.586 78.6957 -146.404 -5.80784 130.586 -5.80661 -179.596 GPRESSURE: 429600 -58.1523 96.167 176.286 120.639 -97.3312 -27.1943 126.064 7.63558 -143.196 PRESSAVG: 429600 23.498 32.7581 19.5172 32.7581 -5.1117 34.3515 19.5172 34.3515 -8.10258 GPRESSAVG: 429600 21.573 33.2391 19.8193 35.3714 -3.23005 32.6387 20.1852 35.3737 -7.73176 TIMING: 429600 CPU: 1287.42, 0.00298228/step Wall: 1287.42, 0.00298228/step, 3.78617 hours remaining, 206.203125 MB of memory in use. ENERGY: 429600 751.8342 2068.8419 1940.7647 105.7312 -206343.2765 17762.0731 0.0000 0.0000 34526.3558 -149187.6758 301.5273 -183714.0316 -149087.3049 299.3874 -133.6932 -99.5597 559694.2116 3.4279 3.5371 PRESSURE: 429800 -62.6879 -21.8734 -74.5871 -21.8725 -1.79687 157.772 -74.5864 157.771 99.303 GPRESSURE: 429800 -24.9564 -13.9442 -29.5823 -35.1158 -38.8288 65.1947 -170.401 130.612 211.128 PRESSAVG: 429800 -36.0583 8.0487 40.4676 8.04862 -36.6772 4.65293 40.4676 4.65295 36.7992 GPRESSAVG: 429800 -35.2318 9.82524 41.7719 6.62017 -38.2266 6.2334 39.925 3.97489 36.9951 TIMING: 429800 CPU: 1288.02, 0.00298912/step Wall: 1288.02, 0.00298912/step, 3.79468 hours remaining, 206.203125 MB of memory in use. ENERGY: 429800 745.4996 2088.7684 1927.8404 110.3228 -206371.2215 18070.8709 0.0000 0.0000 34236.1634 -149191.7560 298.9929 -183427.9193 -149096.1347 299.0437 11.6061 49.1142 559105.3931 -11.9788 -12.1544 PRESSURE: 430000 -52.2203 110.598 -112.393 110.598 124.043 -65.2449 -112.392 -65.2462 91.1603 GPRESSURE: 430000 18.1178 167.049 -74.8205 45.0312 143.946 -80.232 -95.2362 -83.032 102.121 PRESSAVG: 430000 6.24565 -39.0469 37.1102 -39.0468 -77.1046 19.6504 37.1102 19.6504 82.0799 GPRESSAVG: 430000 6.74004 -38.5978 37.4765 -39.3781 -76.0396 19.074 37.7113 19.7928 80.63 TIMING: 430000 CPU: 1288.62, 0.0029699/step Wall: 1288.62, 0.0029699/step, 3.77013 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: 430000 727.9908 2101.8148 1909.9045 116.4153 -206473.8925 18033.2147 0.0000 0.0000 34559.9818 -149024.5706 301.8209 -183584.5524 -148931.3409 299.7662 54.3278 88.0617 559141.8504 3.7403 3.7768 PRESSURE: 430200 140.022 115.17 98.3216 115.171 338.125 -125.839 98.3216 -125.839 201.777 GPRESSURE: 430200 213.965 81.3077 194.156 109.883 360.206 -163.331 11.5484 -45.3953 197.874 PRESSAVG: 430200 -16.8091 24.4744 27.822 24.4745 -25.7937 -4.62668 27.8219 -4.62665 63.6007 GPRESSAVG: 430200 -16.1805 22.8192 25.0187 25.6138 -26.0058 -4.41487 29.5667 -3.61738 63.9505 TIMING: 430200 CPU: 1289.21, 0.00298575/step Wall: 1289.21, 0.00298575/step, 3.79007 hours remaining, 206.203125 MB of memory in use. ENERGY: 430200 711.6798 2072.9556 1967.7396 112.5904 -206329.4977 18059.3508 0.0000 0.0000 34289.7546 -149115.4270 299.4610 -183405.1816 -149022.3098 299.2803 226.6412 257.3484 557672.2183 6.9993 7.2547 PRESSURE: 430400 79.832 -37.2602 -38.8209 -37.2606 326.431 -60.011 -38.8217 -60.0118 -18.627 GPRESSURE: 430400 143.372 8.19649 -27.7544 -60.8097 320.141 31.7973 -114.826 -168.413 21.161 PRESSAVG: 430400 -12.5039 41.727 49.7912 41.727 4.4717 3.38607 49.7913 3.38609 1.8944 GPRESSAVG: 430400 -12.4415 42.7337 50.4263 40.297 4.33538 0.703895 48.6999 3.09219 2.62524 TIMING: 430400 CPU: 1289.81, 0.00298286/step Wall: 1289.81, 0.00298286/step, 3.78624 hours remaining, 206.203125 MB of memory in use. ENERGY: 430400 737.7437 2080.3890 1918.9262 128.7759 -206596.1697 18132.3970 0.0000 0.0000 34474.4078 -149123.5300 301.0736 -183597.9378 -149025.0224 299.2548 129.2119 161.5579 558788.1526 -2.0459 -1.8270 PRESSURE: 430600 -112.83 109.82 86.4758 109.82 103.078 77.0627 86.4764 77.0642 -21.1604 GPRESSURE: 430600 -112.832 40.1909 -2.69703 127.788 170.542 69.6348 133.016 35.1062 5.21652 PRESSAVG: 430600 -27.8681 30.5608 -36.0158 30.5609 27.2694 72.4915 -36.0159 72.4916 15.5074 GPRESSAVG: 430600 -29.0495 30.482 -37.124 30.613 27.9658 74.2141 -34.9447 72.7798 15.836 TIMING: 430600 CPU: 1290.41, 0.0029862/step Wall: 1290.41, 0.0029862/step, 3.79031 hours remaining, 206.203125 MB of memory in use. ENERGY: 430600 730.1742 2072.2232 1919.6214 113.6558 -206073.6084 17846.0455 0.0000 0.0000 33991.0373 -149400.8512 296.8522 -183391.8884 -149303.1066 298.7872 -10.3041 20.9756 559504.4869 4.9696 4.9174 PRESSURE: 430800 -61.8606 73.2358 -39.8282 73.2363 -174.433 -22.2104 -39.8288 -22.2109 -126.182 GPRESSURE: 430800 -43.9775 78.8447 -36.9955 -34.9489 -146.903 -48.1737 48.4542 -65.1012 -81.3652 PRESSAVG: 430800 14.1517 72.2358 55.4628 72.2358 2.01444 19.836 55.4628 19.8361 11.4062 GPRESSAVG: 430800 14.6596 71.4755 57.4912 71.5159 0.476138 21.5062 55.5152 17.2852 11.697 TIMING: 430800 CPU: 1291, 0.00298521/step Wall: 1291, 0.00298521/step, 3.78889 hours remaining, 206.203125 MB of memory in use. ENERGY: 430800 789.7992 2076.9894 1935.6572 129.4379 -206016.7883 17628.5830 0.0000 0.0000 34306.2915 -149150.0300 299.6054 -183456.3215 -149055.2492 298.8845 -120.8251 -90.7485 557006.3883 9.1908 8.9442 PRESSURE: 431000 -299.196 48.8307 -83.2991 48.8302 -157.551 87.7226 -83.2996 87.7229 -60.4414 GPRESSURE: 431000 -263.995 30.1638 -78.824 48.7422 -149.127 96.9 -46.1561 96.366 5.1071 PRESSAVG: 431000 26.2099 -14.3404 -8.63115 -14.3404 -2.29116 14.231 -8.63107 14.2311 -1.08977 GPRESSAVG: 431000 26.065 -13.9679 -8.43465 -12.888 -1.9716 11.8557 -9.59968 16.1922 -1.44256 TIMING: 431000 CPU: 1291.6, 0.00299644/step Wall: 1291.6, 0.00299644/step, 3.80298 hours remaining, 206.203125 MB of memory in use. ENERGY: 431000 786.3185 2108.2348 1952.7782 127.1426 -205982.3436 17523.4102 0.0000 0.0000 34325.9889 -149158.4704 299.7774 -183484.4594 -149058.0670 300.0219 -172.3962 -136.0051 557857.6268 7.6097 7.5503 PRESSURE: 431200 -252.946 131.967 -10.3049 131.966 -93.7054 364.819 -10.3051 364.817 -30.4917 GPRESSURE: 431200 -195.439 94.3703 -82.1519 166.127 -29.3157 374.212 47.2756 368.6 -51.4315 PRESSAVG: 431200 -17.9023 59.0839 -45.8941 59.084 27.3093 58.0817 -45.8941 58.0816 26.8205 GPRESSAVG: 431200 -18.8212 58.4743 -47.1617 58.8535 27.9581 59.2247 -45.9129 56.8809 26.4318 TIMING: 431200 CPU: 1292.2, 0.00299137/step Wall: 1292.2, 0.00299137/step, 3.79638 hours remaining, 206.203125 MB of memory in use. ENERGY: 431200 737.8170 2111.7050 1947.2453 113.1774 -206014.7906 17680.0088 0.0000 0.0000 34207.5819 -149217.2553 298.7433 -183424.8371 -149124.9564 300.1646 -125.7142 -92.0622 559185.5693 12.0758 11.8562 PRESSURE: 431400 -190.72 -45.1756 -89.2421 -45.1753 -237.392 -33.1536 -89.2413 -33.1524 -229.03 GPRESSURE: 431400 -130.518 -70.0932 -80.2417 -51.7306 -235.131 -55.9939 -92.0217 3.08453 -194.82 PRESSAVG: 431400 61.8608 13.2349 2.19593 13.2348 -40.7085 54.4722 2.19599 54.4722 -30.4188 GPRESSAVG: 431400 62.8801 13.3405 1.91452 12.243 -42.1662 53.0489 2.5395 55.0484 -29.3206 TIMING: 431400 CPU: 1292.8, 0.00297743/step Wall: 1292.8, 0.00297743/step, 3.77853 hours remaining, 206.203125 MB of memory in use. ENERGY: 431400 749.9460 2101.7840 1964.1679 112.5955 -206086.3067 17548.0400 0.0000 0.0000 34348.4765 -149261.2968 299.9738 -183609.7733 -149155.5212 299.6497 -219.0474 -186.8228 559115.3845 -3.0888 -2.8689 PRESSURE: 431600 -240.197 -205.76 11.8283 -205.76 -104.144 -95.5105 11.8287 -95.5115 51.6449 GPRESSURE: 431600 -165.89 -223.568 33.6042 -157.735 -81.9288 -53.8704 36.8638 -114.868 55.3649 PRESSAVG: 431600 74.4439 2.13449 19.6061 2.13457 0.579525 23.4986 19.6061 23.4985 -56.7071 GPRESSAVG: 431600 74.0784 3.13391 21.2833 3.38369 1.8469 24.3596 18.7973 23.7037 -57.5518 TIMING: 431600 CPU: 1293.39, 0.00299045/step Wall: 1293.39, 0.00299045/step, 3.79488 hours remaining, 206.203125 MB of memory in use. ENERGY: 431600 766.9537 2080.1344 1950.4345 114.0992 -206062.3729 17680.9966 0.0000 0.0000 34346.9475 -149122.8069 299.9604 -183469.7544 -149028.9296 299.4544 -97.5655 -64.1512 557645.0409 6.1055 6.1245 PRESSURE: 431800 -61.9023 -170.172 -51.1101 -170.172 -46.312 80.4784 -51.1112 80.4759 40.9251 GPRESSURE: 431800 -12.1723 -180.613 -100.764 -201.675 -49.8359 63.2253 -4.13697 77.6279 86.6966 PRESSAVG: 431800 37.4451 -38.711 -17.7168 -38.7109 -41.413 -41.5653 -17.7167 -41.5653 47.3005 GPRESSAVG: 431800 38.4421 -39.7918 -19.2106 -41.5368 -42.088 -39.3089 -18.942 -43.4854 47.4457 TIMING: 431800 CPU: 1294, 0.00300748/step Wall: 1294, 0.00300748/step, 3.81633 hours remaining, 206.203125 MB of memory in use. ENERGY: 431800 730.2140 2089.7218 1916.5678 118.1711 -206200.2249 17834.0423 0.0000 0.0000 34450.0468 -149061.4610 300.8608 -183511.5078 -148958.5072 300.1380 -22.4297 8.2295 558830.8336 14.4442 14.5999 PRESSURE: 432000 64.8214 -24.9185 -52.5121 -24.9189 -67.7059 -16.1341 -52.5125 -16.1344 -51.4297 GPRESSURE: 432000 108.699 -73.6672 -46.0022 93.7218 -44.7756 88.9653 -40.5193 -77.8515 -15.9957 PRESSAVG: 432000 -16.6628 -45.2302 -41.7197 -45.2303 -41.7642 -1.2672 -41.7198 -1.26708 38.6877 GPRESSAVG: 432000 -16.5334 -45.7789 -40.588 -44.8027 -42.1687 -4.59878 -41.2384 1.47858 38.6938 TIMING: 432000 CPU: 1294.6, 0.00299622/step Wall: 1294.6, 0.00299622/step, 3.80187 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: 432000 706.4673 2074.4409 1919.9603 99.7325 -205994.1517 17768.3544 0.0000 0.0000 34389.3542 -149035.8421 300.3308 -183425.1963 -148946.0551 300.2843 -18.1047 15.9758 558510.9030 -6.5798 -6.6694 PRESSURE: 432200 -93.685 121.019 67.2514 121.018 -73.1262 47.0122 67.2521 47.0131 -116.498 GPRESSURE: 432200 -11.4309 44.7183 145.976 132.51 -22.7015 116.815 145.944 43.0714 -134.864 PRESSAVG: 432200 63.0179 24.1701 -12.3413 24.1701 -25.9189 -20.4621 -12.3413 -20.4622 12.3002 GPRESSAVG: 432200 62.0644 25.0258 -13.0445 24.1502 -24.5929 -17.9298 -11.18 -21.6771 11.7858 TIMING: 432200 CPU: 1295.19, 0.00299132/step Wall: 1295.19, 0.00299132/step, 3.79548 hours remaining, 206.203125 MB of memory in use. ENERGY: 432200 716.2009 2135.0961 1927.3581 106.9923 -205987.4938 17748.5960 0.0000 0.0000 34430.2206 -148923.0297 300.6877 -183353.2504 -148823.3023 300.6963 -94.4365 -56.3322 558927.7470 16.4664 16.4191 LDB: ============= START OF LOAD BALANCING ============== 1298.71 LDB: ============== END OF LOAD BALANCING =============== 1298.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1298.71 LDB: ============= START OF LOAD BALANCING ============== 1299.01 LDB: Largest compute 4800 load 0.028265 is 24.0% of average load 0.117887 LDB: Average compute 0.001721 is 1.5% of average load 0.117887 LDB: TIME 1299.01 LOAD: AVG 0.117887 MAX 0.213935 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.094 MB LDB: TIME 1299.01 LOAD: AVG 0.117887 MAX 0.213935 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.094 MB LDB: TIME 1299.01 LOAD: AVG 0.117887 MAX 0.213935 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.094 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1299.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1299.02 PRESSURE: 432400 102.72 -17.6788 -166.744 -17.6785 -88.1895 -67.7465 -166.743 -67.7463 53.322 GPRESSURE: 432400 139.651 78.3097 -157.682 -20.3542 -14.0612 -155.619 -183.309 51.5195 38.8559 PRESSAVG: 432400 -15.369 31.1777 -53.0819 31.1777 -67.6876 1.33044 -53.0819 1.33036 36.2942 GPRESSAVG: 432400 -14.8147 31.987 -51.4311 31.3103 -68.8345 1.31421 -55.9905 2.90201 36.314 TIMING: 432400 CPU: 1295.8, 0.00304944/step Wall: 1295.8, 0.00304944/step, 3.86906 hours remaining, 206.050781 MB of memory in use. ENERGY: 432400 777.1714 2059.5448 1937.1944 106.3925 -205868.8413 17844.5990 0.0000 0.0000 34559.4149 -148584.5242 301.8160 -183143.9391 -148489.3987 300.5878 22.6176 54.8152 557922.3625 -15.5875 -15.7784 PRESSURE: 432600 -3.06416 -19.792 -109.211 -19.7905 -64.7263 148.871 -109.209 148.873 233.088 GPRESSURE: 432600 63.0406 -36.6487 -69.1478 -14.2024 -45.0246 39.7293 -67.793 196.02 229.272 PRESSAVG: 432600 41.092 -2.53401 7.63824 -2.53399 -26.0523 -17.6604 7.63824 -17.6604 1.63721 GPRESSAVG: 432600 41.1108 -3.39349 7.43039 -2.02201 -26.0409 -17.2748 9.71826 -18.6945 1.33163 TIMING: 432600 CPU: 1296.4, 0.00297332/step Wall: 1296.4, 0.00297332/step, 3.77232 hours remaining, 206.253906 MB of memory in use. ENERGY: 432600 746.1828 2057.8469 1939.2626 121.5205 -205811.1850 17749.5728 0.0000 0.0000 34666.2725 -148530.5270 302.7492 -183196.7994 -148428.5309 301.1572 55.0992 82.4295 559527.4217 5.5590 5.4672 PRESSURE: 432800 -0.518713 -42.7924 -192.132 -42.7942 -29.323 38.3535 -192.131 38.354 -175.168 GPRESSURE: 432800 -1.63775 -57.0772 -116.993 -93.7075 11.9187 20.3114 -92.3871 -22.5038 -118.733 PRESSAVG: 432800 -38.1192 -78.2407 8.37518 -78.2407 15.5614 -20.6047 8.37512 -20.6047 -16.1564 GPRESSAVG: 432800 -37.3074 -76.5791 6.54419 -78.9678 15.5946 -22.191 9.01404 -21.965 -16.7451 TIMING: 432800 CPU: 1296.99, 0.00298045/step Wall: 1296.99, 0.00298045/step, 3.7812 hours remaining, 206.253906 MB of memory in use. ENERGY: 432800 765.6948 2094.0334 1944.6835 113.2309 -205959.5818 17855.2184 0.0000 0.0000 34573.2399 -148613.4809 301.9367 -183186.7208 -148506.6670 301.2349 -68.3366 -36.1507 558821.6361 -12.9047 -12.8193 PRESSURE: 433000 -217.466 -3.61198 -144.059 -3.61188 105.53 56.7711 -144.06 56.7702 4.3039 GPRESSURE: 433000 -126.685 -45.0106 -137.609 11.4121 58.9537 94.6624 -111.561 173.654 57.7047 PRESSAVG: 433000 -27.1449 -34.9894 26.6545 -34.9894 12.6498 -32.4503 26.6545 -32.4503 43.6341 GPRESSAVG: 433000 -28.3995 -38.278 27.7313 -34.3646 13.7395 -33.5703 26.7526 -27.9471 44.0239 TIMING: 433000 CPU: 1297.59, 0.00297333/step Wall: 1297.59, 0.00297333/step, 3.772 hours remaining, 206.253906 MB of memory in use. ENERGY: 433000 765.4609 2133.0606 1926.5947 111.4934 -205880.7866 17810.6660 0.0000 0.0000 34458.1242 -148675.3867 300.9314 -183133.5109 -148574.1700 300.8362 -35.8774 -3.3423 558413.2857 9.7130 9.7880 PRESSURE: 433200 -470.943 -18.047 -33.8859 -18.0476 -255.037 94.5305 -33.886 94.531 -215.109 GPRESSURE: 433200 -455.328 7.07493 -97.3628 0.309203 -262.918 63.5599 46.0232 87.3225 -135.521 PRESSAVG: 433200 -30.0747 -5.39936 18.0473 -5.39933 -36.5883 -10.2876 18.0471 -10.2876 54.0646 GPRESSAVG: 433200 -30.7717 -4.72497 18.667 -4.95629 -37.4906 -6.56379 15.5839 -14.7444 55.8577 TIMING: 433200 CPU: 1298.18, 0.00295783/step Wall: 1298.18, 0.00295783/step, 3.75218 hours remaining, 206.253906 MB of memory in use. ENERGY: 433200 782.2610 2104.0560 1923.3749 118.4449 -205453.1925 17242.6104 0.0000 0.0000 34449.2030 -148833.2423 300.8535 -183282.4454 -148735.7746 300.5513 -313.6966 -284.5890 558246.0181 -4.1995 -4.1349 PRESSURE: 433400 -63.8454 -44.7174 36.8722 -44.7156 -83.5831 6.96981 36.8719 6.96872 -103.256 GPRESSURE: 433400 -43.8647 -149.897 38.0676 18.6738 -21.4855 58.8778 100.629 -11.5645 -89.3958 PRESSAVG: 433400 54.1347 40.6278 -3.76553 40.6278 -17.0041 18.9162 -3.76555 18.9163 20.5498 GPRESSAVG: 433400 54.616 39.1154 -4.45079 40.371 -17.2348 17.7745 -0.0564971 20.9017 20.2164 TIMING: 433400 CPU: 1298.78, 0.00299438/step Wall: 1298.78, 0.00299438/step, 3.79838 hours remaining, 206.253906 MB of memory in use. ENERGY: 433400 727.0761 2050.7054 1955.9513 125.7755 -205656.2925 17543.4471 0.0000 0.0000 34442.7509 -148810.5861 300.7971 -183253.3370 -148714.3829 299.9390 -83.5616 -51.5820 558381.4327 19.2268 19.1992 PRESSURE: 433600 -110.424 -139.795 58.5778 -139.795 -250.643 139.018 58.5769 139.018 24.0545 GPRESSURE: 433600 -59.189 -173.898 55.4006 -108.986 -204.695 148.63 45.5315 112.268 20.5292 PRESSAVG: 433600 46.4204 -8.92225 17.5096 -8.92225 -114.236 43.2167 17.5096 43.2166 30.1973 GPRESSAVG: 433600 47.1056 -7.73158 16.5886 -8.95803 -113.965 42.9528 15.8485 44.328 28.7909 TIMING: 433600 CPU: 1299.38, 0.00299632/step Wall: 1299.38, 0.00299632/step, 3.80066 hours remaining, 206.253906 MB of memory in use. ENERGY: 433600 758.9784 2146.3340 1939.2776 123.8446 -205638.5264 17531.0438 0.0000 0.0000 34206.9689 -148932.0791 298.7380 -183139.0480 -148832.1465 300.3033 -112.3373 -81.1184 557431.7895 -12.5394 -12.6895 PRESSURE: 433800 -47.0216 149.364 35.3725 149.365 -24.0401 -15.2184 35.3717 -15.2187 -94.5598 GPRESSURE: 433800 -51.1803 126.053 26.9095 172.452 16.1483 -2.21237 111.006 -32.7319 -42.471 PRESSAVG: 433800 -48.8293 1.23409 32.0285 1.23406 9.13326 9.62332 32.0285 9.62336 21.6162 GPRESSAVG: 433800 -49.254 -0.617701 33.6781 1.78432 8.87617 12.5587 31.0422 6.93566 21.8792 TIMING: 433800 CPU: 1299.98, 0.00298553/step Wall: 1299.98, 0.00298553/step, 3.78681 hours remaining, 206.253906 MB of memory in use. ENERGY: 433800 756.4354 2062.1789 1955.7248 105.4104 -206155.7590 17843.9496 0.0000 0.0000 34493.1404 -148938.9196 301.2372 -183432.0600 -148839.8481 300.0030 -55.2071 -25.8344 559158.0075 -6.0266 -6.1662 PRESSURE: 434000 181.261 -188.291 36.9804 -188.291 80.8274 -20.325 36.9808 -20.3247 -165.615 GPRESSURE: 434000 209.638 -160.031 52.8685 -212.345 139.118 -106.497 -38.5634 4.10895 -156.779 PRESSAVG: 434000 -31.1701 10.6014 -0.236873 10.6014 26.9261 -68.4175 -0.236853 -68.4173 -5.46613 GPRESSAVG: 434000 -31.1919 11.6694 0.0603068 11.7326 27.3786 -69.2647 0.382655 -67.1534 -5.95266 TIMING: 434000 CPU: 1300.57, 0.00298033/step Wall: 1300.57, 0.00298033/step, 3.78005 hours remaining, 206.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 434000 742.3903 2093.9871 1981.8440 101.1958 -206223.0759 18061.5115 0.0000 0.0000 34344.6525 -148897.4947 299.9404 -183242.1472 -148801.2182 300.4775 32.1578 63.9925 559714.4125 -3.2367 -3.2553 PRESSURE: 434200 -9.6896 165.676 142.544 165.677 -434.369 15.2551 142.543 15.2554 -42.2446 GPRESSURE: 434200 18.3889 236.129 146.149 94.8222 -413.563 -29.8889 109.986 29.0984 -1.38035 PRESSAVG: 434200 5.36276 -20.9974 -54.9266 -20.9975 -68.4717 -25.7498 -54.9267 -25.7497 103.371 GPRESSAVG: 434200 7.05244 -20.0036 -53.865 -22.4389 -69.4944 -26.2544 -55.2986 -26.2781 103.117 TIMING: 434200 CPU: 1301.17, 0.00297761/step Wall: 1301.17, 0.00297761/step, 3.77644 hours remaining, 206.253906 MB of memory in use. ENERGY: 434200 779.0099 2085.6967 1958.8329 106.4844 -205702.3360 17552.2282 0.0000 0.0000 34235.1879 -148984.8960 298.9844 -183220.0839 -148887.5584 299.9478 -162.1012 -132.1848 559614.2507 13.4207 13.5583 PRESSURE: 434400 -214.398 -12.0422 3.0437 -12.0419 92.5439 -43.8138 3.04362 -43.8124 194.123 GPRESSURE: 434400 -115.493 -0.993023 41.8255 -13.1758 74.5955 -31.3866 7.71406 -156.184 212.285 PRESSAVG: 434400 -21.8405 17.2082 -34.8521 17.2082 -42.0975 -43.769 -34.8522 -43.7688 73.5251 GPRESSAVG: 434400 -23.5686 18.6495 -37.6902 16.2275 -41.0071 -44.5282 -35.1741 -44.2215 73.7834 TIMING: 434400 CPU: 1301.76, 0.00298205/step Wall: 1301.76, 0.00298205/step, 3.7819 hours remaining, 206.253906 MB of memory in use. ENERGY: 434400 746.1792 2125.1415 1950.7056 108.0255 -206511.0866 17883.2691 0.0000 0.0000 34493.9897 -149203.7760 301.2446 -183697.7657 -149108.7600 299.9650 24.0895 57.1291 558612.4453 3.1957 3.0692 PRESSURE: 434600 -66.9072 18.058 112.893 18.0595 -150.507 169.957 112.891 169.956 147.943 GPRESSURE: 434600 -37.6375 -3.42894 48.4479 92.4167 -68.1158 110.978 189.063 193.336 136.688 PRESSAVG: 434600 37.47 -41.6108 6.64928 -41.6107 -28.7006 -8.06354 6.64945 -8.06357 42.8744 GPRESSAVG: 434600 36.4371 -42.9007 8.08885 -41.4162 -28.4219 -9.09837 7.62713 -6.79713 44.2611 TIMING: 434600 CPU: 1302.37, 0.00302428/step Wall: 1302.37, 0.00302428/step, 3.8353 hours remaining, 206.253906 MB of memory in use. ENERGY: 434600 789.8272 2075.5934 1934.8661 110.6396 -205993.2264 17788.9663 0.0000 0.0000 34098.2430 -149195.0908 297.7884 -183293.3338 -149108.8611 298.6308 -23.1571 10.3116 557898.7127 17.2146 17.4255 PRESSURE: 434800 104.554 43.2379 -66.0423 43.2382 301.51 155.998 -66.0431 155.996 -219.838 GPRESSURE: 434800 116.323 8.86446 -32.3632 -20.1783 350.117 130.085 -91.7605 157.284 -188.31 PRESSAVG: 434800 99.4297 -9.75216 -41.7823 -9.75223 -66.2629 48.8094 -41.7824 48.8095 -40.2544 GPRESSAVG: 434800 100.652 -10.0337 -41.7122 -8.56782 -65.7194 49.6231 -43.5156 47.756 -41.6163 TIMING: 434800 CPU: 1302.97, 0.00301601/step Wall: 1302.97, 0.00301601/step, 3.82464 hours remaining, 206.253906 MB of memory in use. ENERGY: 434800 756.7804 2098.3317 1964.9367 117.0867 -206010.3977 17799.3351 0.0000 0.0000 34150.7987 -149123.1285 298.2474 -183273.9272 -149029.4886 298.9852 62.0755 92.7098 556601.4026 -2.3625 -2.2278 PRESSURE: 435000 134.746 -18.5785 -291.232 -18.5783 1.5201 66.6691 -291.232 66.6691 42.4678 GPRESSURE: 435000 249.748 -1.85412 -206.669 -31.3291 -1.23437 110.744 -272.114 -34.5342 31.7985 PRESSAVG: 435000 43.5693 -3.45764 -7.27306 -3.45766 -14.558 47.8377 -7.27305 47.8377 -48.2323 GPRESSAVG: 435000 42.7065 -3.68692 -8.60817 -2.47652 -15.1998 49.6044 -5.62576 48.246 -46.5361 TIMING: 435000 CPU: 1303.58, 0.00302272/step Wall: 1303.58, 0.00302272/step, 3.83298 hours remaining, 206.253906 MB of memory in use. ENERGY: 435000 764.0998 2070.4338 1960.1568 127.8489 -206168.9937 17810.3187 0.0000 0.0000 34396.0288 -149040.1070 300.3891 -183436.1358 -148946.8375 299.4016 59.5781 93.4373 555484.0098 -6.4070 -6.3431 PRESSURE: 435200 -25.2098 30.137 1.7718 30.1364 -195.172 -158.162 1.77194 -158.163 -66.6559 GPRESSURE: 435200 -53.8498 -6.25851 -12.0397 12.0998 -123.496 -127.113 21.1143 -106.301 -8.67381 PRESSAVG: 435200 -35.2026 22.4246 -31.0838 22.4246 31.5007 16.0167 -31.0838 16.0168 -1.39144 GPRESSAVG: 435200 -34.7476 23.8898 -29.7697 19.9007 31.7289 15.2774 -32.6778 17.303 -1.96375 TIMING: 435200 CPU: 1304.18, 0.0030139/step Wall: 1304.18, 0.0030139/step, 3.82163 hours remaining, 206.253906 MB of memory in use. ENERGY: 435200 779.8906 2080.2152 1956.3865 114.6061 -205820.9836 17697.7796 0.0000 0.0000 34146.2047 -149045.9010 298.2073 -183192.1057 -148945.9698 299.9669 -95.6792 -62.0065 557469.4066 -1.6978 -1.6608 PRESSURE: 435400 -185.351 260.086 41.0591 260.087 -280.388 18.2848 41.0597 18.284 -217.027 GPRESSURE: 435400 -155.48 273.37 7.67944 243.916 -205.202 32.7906 72.6516 32.3906 -234.155 PRESSAVG: 435400 0.0656194 39.0402 25.6785 39.0402 13.0241 -24.3639 25.6784 -24.364 -74.1365 GPRESSAVG: 435400 -0.23038 38.7629 25.6567 43.4006 13.256 -26.0505 25.6143 -25.6421 -74.0166 TIMING: 435400 CPU: 1304.79, 0.00305642/step Wall: 1304.79, 0.00305642/step, 3.87537 hours remaining, 206.253906 MB of memory in use. ENERGY: 435400 766.0207 2033.1142 1938.5689 107.3503 -205754.2320 17450.8568 0.0000 0.0000 34353.0248 -149105.2961 300.0135 -183458.3209 -149010.7982 299.6077 -227.5887 -198.2789 556229.9969 -20.3489 -20.3303 PRESSURE: 435600 -227.941 -19.6124 13.7969 -19.6121 -87.4167 -7.99098 13.7963 -7.99139 -95.9094 GPRESSURE: 435600 -175.665 -6.32088 -21.5534 -23.6585 -75.3093 -13.3421 -6.08794 -4.83354 -60.9667 PRESSAVG: 435600 29.8575 47.2634 27.9084 47.2634 -22.852 -8.86829 27.9085 -8.86825 58.5237 GPRESSAVG: 435600 31.3321 46.4913 27.3704 46.0443 -24.2252 -7.80066 28.4949 -7.8435 58.2776 TIMING: 435600 CPU: 1305.4, 0.00304905/step Wall: 1305.4, 0.00304905/step, 3.86586 hours remaining, 206.253906 MB of memory in use. ENERGY: 435600 701.5871 2091.6919 1925.6721 119.4059 -205703.2018 17483.8009 0.0000 0.0000 34295.6723 -149085.3716 299.5126 -183381.0439 -148992.9959 299.8784 -137.0892 -103.9802 556645.7069 21.8431 21.7948 PRESSURE: 435800 -161.527 -27.3685 56.6971 -27.3692 111.797 12.9787 56.6975 12.9793 31.3588 GPRESSURE: 435800 -101.422 -74.2559 82.3241 3.97144 127.461 9.85074 110.353 76.6578 61.4794 PRESSAVG: 435800 -15.3325 -1.79329 -2.86462 -1.79328 14.0411 -7.4603 -2.86466 -7.46018 3.99997 GPRESSAVG: 435800 -15.5961 -2.00307 -3.87428 -2.20746 14.7104 -6.56089 -2.73057 -8.85798 3.57468 TIMING: 435800 CPU: 1306.02, 0.00309192/step Wall: 1306.02, 0.00309192/step, 3.92004 hours remaining, 206.253906 MB of memory in use. ENERGY: 435800 716.8793 2069.4556 1937.3467 117.3941 -206178.7128 17874.3642 0.0000 0.0000 34265.9483 -149197.3246 299.2530 -183463.2729 -149096.7281 299.7346 -6.1238 29.1729 556291.8955 0.9029 0.8963 PRESSURE: 436000 -283.767 -260.627 -8.60215 -260.628 -181.271 -173.625 -8.60367 -173.624 16.9683 GPRESSURE: 436000 -337.509 -202.033 6.83792 -212.666 -119.42 -166.034 -98.7989 -172.488 99.6241 PRESSAVG: 436000 -9.46321 7.00354 15.9875 7.00363 31.8869 -25.9582 15.9875 -25.9581 -2.34375 GPRESSAVG: 436000 -10.3708 8.45299 17.1537 6.2187 32.1799 -27.6434 14.1445 -25.1373 -1.14596 TIMING: 436000 CPU: 1306.63, 0.00305109/step Wall: 1306.63, 0.00305109/step, 3.86811 hours remaining, 206.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 436000 718.1752 2083.5212 1940.3779 106.1278 -205587.1554 17501.9472 0.0000 0.0000 34097.8039 -149139.2021 297.7846 -183237.0060 -149041.4360 299.5271 -149.3565 -119.1015 558529.0927 6.6933 6.8877 PRESSURE: 436200 -447.268 74.6108 -31.2643 74.6111 -311.93 175.778 -31.2633 175.778 -14.7903 GPRESSURE: 436200 -357.266 56.1795 -116.704 137.356 -287.025 115.318 50.7923 205.017 -26.0718 PRESSAVG: 436200 -68.8672 6.51372 -5.9363 6.51371 -13.6886 -47.1266 -5.93636 -47.1266 43.4076 GPRESSAVG: 436200 -68.7424 6.64092 -6.67017 5.14169 -13.4127 -47.1112 -3.41867 -46.9778 42.7323 TIMING: 436200 CPU: 1307.23, 0.00299498/step Wall: 1307.23, 0.00299498/step, 3.79681 hours remaining, 206.253906 MB of memory in use. ENERGY: 436200 724.7602 2083.6988 1955.8208 113.7648 -205932.2721 17324.5799 0.0000 0.0000 34509.0008 -149220.6469 301.3757 -183729.6477 -149124.4628 298.8742 -257.9960 -223.4544 556646.4206 -13.0494 -13.1409 LDB: ============= START OF LOAD BALANCING ============== 1310.75 LDB: ============== END OF LOAD BALANCING =============== 1310.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1310.75 LDB: ============= START OF LOAD BALANCING ============== 1311.06 LDB: Largest compute 4800 load 0.029605 is 25.1% of average load 0.117887 LDB: Average compute 0.001720 is 1.5% of average load 0.117887 LDB: TIME 1311.06 LOAD: AVG 0.117887 MAX 0.218548 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.012 MB LDB: TIME 1311.06 LOAD: AVG 0.117887 MAX 0.218548 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.012 MB LDB: TIME 1311.06 LOAD: AVG 0.117887 MAX 0.218548 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.012 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1311.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1311.07 PRESSURE: 436400 67.0021 46.9648 -38.3161 46.9646 -113.917 -4.84809 -38.3162 -4.84866 -46.64 GPRESSURE: 436400 88.7209 88.513 -8.78233 35.1591 -70.44 30.5894 -17.4106 -21.9109 -18.7106 PRESSAVG: 436400 -4.49885 53.7533 -20.4665 53.7533 -27.1318 -12.5528 -20.4665 -12.5529 1.32913 GPRESSAVG: 436400 -4.49521 53.4778 -20.4633 56.6655 -27.2805 -10.2908 -20.8673 -13.6418 1.91054 TIMING: 436400 CPU: 1307.85, 0.00311533/step Wall: 1307.85, 0.00311533/step, 3.9492 hours remaining, 207.710938 MB of memory in use. ENERGY: 436400 755.7911 2069.7264 1932.4965 110.3214 -206113.8667 17819.2429 0.0000 0.0000 34256.7344 -149169.5540 299.1726 -183426.2884 -149077.5414 299.0546 -31.1850 -0.1432 557314.9376 -10.1005 -9.9550 PRESSURE: 436600 -112.174 -2.12487 -148.261 -2.1243 -24.7585 -244.353 -148.261 -244.353 77.8208 GPRESSURE: 436600 -50.9698 -25.4832 -133.749 -34.3491 1.0197 -189.403 -174.175 -244.146 82.3776 PRESSAVG: 436600 -1.02615 -15.2879 -32.9597 -15.2879 9.11867 -19.8928 -32.9597 -19.8929 3.74391 GPRESSAVG: 436600 -1.31808 -12.9663 -33.1293 -19.9932 9.08277 -20.8992 -32.4016 -19.0635 4.06439 TIMING: 436600 CPU: 1308.46, 0.00306146/step Wall: 1308.46, 0.00306146/step, 3.88074 hours remaining, 207.914062 MB of memory in use. ENERGY: 436600 739.3666 2089.4181 1915.1445 113.9579 -206386.7351 17881.8926 0.0000 0.0000 34266.2218 -149380.7335 299.2554 -183646.9553 -149288.1921 298.7244 -19.7040 10.8092 557915.3504 3.9455 3.9430 PRESSURE: 436800 186.375 -132.685 -159.989 -132.684 141.368 110.633 -159.989 110.633 50.2422 GPRESSURE: 436800 237.944 -100.719 -173.07 -105.206 168.127 -2.16652 -138.154 164.662 87.9127 PRESSAVG: 436800 32.2988 -45.5322 -29.0215 -45.5322 -42.0633 2.5083 -29.0215 2.50823 8.95033 GPRESSAVG: 436800 33.4573 -47.1659 -29.6536 -42.5613 -43.5555 2.22294 -28.3104 3.55484 8.92063 TIMING: 436800 CPU: 1309.07, 0.00305593/step Wall: 1309.07, 0.00305593/step, 3.87356 hours remaining, 207.914062 MB of memory in use. ENERGY: 436800 727.7274 2095.3816 1948.5654 115.2577 -206266.9989 17919.5244 0.0000 0.0000 34199.7249 -149260.8175 298.6747 -183460.5424 -149164.1516 298.4367 125.9952 164.6613 556127.1847 -0.2714 -0.3925 PRESSURE: 437000 -262.947 -169.155 -4.19618 -169.154 -106.484 -27.0653 -4.19648 -27.0649 -109.57 GPRESSURE: 437000 -201.175 -225.633 31.0234 -164.455 -52.1315 -97.7588 -19.6276 28.08 -117.478 PRESSAVG: 437000 24.6511 -99.3628 33.9115 -99.3628 97.8753 -11.2363 33.9114 -11.2363 -99.4786 GPRESSAVG: 437000 23.2696 -99.1539 33.5495 -100.122 99.0416 -10.0268 33.4226 -10.3919 -99.226 TIMING: 437000 CPU: 1309.68, 0.0030045/step Wall: 1309.68, 0.0030045/step, 3.80821 hours remaining, 207.914062 MB of memory in use. ENERGY: 437000 768.7069 2046.5364 1939.0532 107.1029 -206052.1686 17623.3290 0.0000 0.0000 34481.6140 -149085.8263 301.1365 -183567.4403 -148983.7530 298.4888 -159.6669 -123.5950 558133.4208 7.6826 7.6951 PRESSURE: 437200 15.8323 11.682 -131.193 11.6816 -181.699 -34.6614 -131.193 -34.66 -214.484 GPRESSURE: 437200 59.2098 -26.6518 -158.049 -3.56342 -206.093 -17.8266 -150.75 -91.8622 -127.165 PRESSAVG: 437200 58.7262 -49.9771 -15.6046 -49.9771 -19.3043 20.07 -15.6046 20.0701 -25.1586 GPRESSAVG: 437200 59.0419 -50.3252 -14.9349 -49.7633 -20.0354 19.1531 -15.9552 19.1462 -24.1427 TIMING: 437200 CPU: 1310.28, 0.00300378/step Wall: 1310.28, 0.00300378/step, 3.80712 hours remaining, 207.914062 MB of memory in use. ENERGY: 437200 756.3700 2144.1539 1928.1022 114.8960 -206000.4910 17683.1050 0.0000 0.0000 34338.8242 -149035.0398 299.8895 -183373.8640 -148946.1938 299.2582 -126.7837 -91.3491 558823.4861 4.7544 4.9546 PRESSURE: 437400 -227.982 149.335 -16.3028 149.335 83.6228 -117.016 -16.3014 -117.015 -292.438 GPRESSURE: 437400 -183.014 196.251 87.958 97.4137 107.552 -151.619 -62.7046 -53.0148 -260.233 PRESSAVG: 437400 74.0521 -58.879 -20.4149 -58.879 14.5965 99.839 -20.4149 99.839 -48.2979 GPRESSAVG: 437400 74.238 -58.6494 -21.9734 -57.9612 15.0086 98.9739 -20.9788 98.8818 -48.7248 TIMING: 437400 CPU: 1310.88, 0.0030266/step Wall: 1310.88, 0.0030266/step, 3.83587 hours remaining, 207.914062 MB of memory in use. ENERGY: 437400 778.7363 2138.1164 1913.7759 112.2090 -205945.1553 17578.3615 0.0000 0.0000 34429.5449 -148994.4115 300.6818 -183423.9563 -148893.9275 299.5173 -145.5992 -111.8985 558454.7833 13.4502 13.5073 PRESSURE: 437600 -345.556 34.5991 91.6451 34.6001 -170.51 273.567 91.6461 273.566 -166.368 GPRESSURE: 437600 -270.555 12.4001 147.361 119.593 -167.229 255.065 129.508 209.659 -151.082 PRESSAVG: 437600 -15.5847 -12.1847 -28.7973 -12.1846 -61.991 -21.7 -28.7973 -21.7001 7.18301 GPRESSAVG: 437600 -16.6556 -12.735 -28.2049 -11.1374 -61.4765 -21.5473 -27.4484 -21.9144 7.68965 TIMING: 437600 CPU: 1311.48, 0.00300077/step Wall: 1311.48, 0.00300077/step, 3.80298 hours remaining, 207.914062 MB of memory in use. ENERGY: 437600 785.5823 2064.5024 1940.9638 118.6160 -206254.3790 17766.2919 0.0000 0.0000 34359.0799 -149219.3427 300.0664 -183578.4227 -149122.8760 299.5226 -227.4781 -196.2887 559259.0550 -23.4642 -23.4808 PRESSURE: 437800 35.6948 -64.7367 -57.9492 -64.738 229.23 33.4355 -57.9491 33.4372 -42.836 GPRESSURE: 437800 109.763 -71.0995 -94.0265 -170.886 209.956 35.8399 55.9125 -32.9297 18.1806 PRESSAVG: 437800 73.5078 -68.4849 12.5581 -68.4847 -6.68202 3.90424 12.558 3.90426 -1.23087 GPRESSAVG: 437800 76.0601 -69.4592 13.0097 -70.6321 -8.06334 4.2601 12.6588 5.34534 -2.49315 TIMING: 437800 CPU: 1312.09, 0.00303818/step Wall: 1312.09, 0.00303818/step, 3.85022 hours remaining, 207.914062 MB of memory in use. ENERGY: 437800 754.4900 2037.0008 1952.2540 116.5514 -206445.4067 17937.5770 0.0000 0.0000 34335.4297 -149312.1039 299.8598 -183647.5336 -149220.9566 299.0671 74.0296 112.6332 558014.5826 21.8650 21.8345 PRESSURE: 438000 -93.2446 166.46 -69.4018 166.46 26.3655 -73.0602 -69.4025 -73.0595 -94.9269 GPRESSURE: 438000 -24.1769 201.939 -94.6816 123.964 51.1488 -117.947 -4.84188 -23.2608 -99.8686 PRESSAVG: 438000 -17.8112 -11.2429 -5.45307 -11.2429 81.6614 3.02301 -5.45302 3.02304 -58.2662 GPRESSAVG: 438000 -18.4632 -10.0286 -5.56072 -10.5897 82.0332 1.72312 -6.66051 3.17098 -57.788 TIMING: 438000 CPU: 1312.69, 0.00300829/step Wall: 1312.69, 0.00300829/step, 3.81217 hours remaining, 207.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 438000 743.4147 2074.1132 1945.5854 124.9634 -206144.5392 17680.6589 0.0000 0.0000 34387.8152 -149187.9884 300.3173 -183575.8035 -149084.1484 299.3674 -53.9354 -24.2989 558404.0048 1.8613 1.9273 PRESSURE: 438200 -251.916 -109.078 -82.2126 -109.077 -113.774 -23.5949 -82.2133 -23.5925 -73.9929 GPRESSURE: 438200 -194.78 -155.185 -21.9611 -73.0327 -58.8852 -32.0228 -14.3349 24.0575 -79.828 PRESSAVG: 438200 -18.4866 -22.0919 -9.49477 -22.0919 23.9398 10.659 -9.49483 10.659 -22.3833 GPRESSAVG: 438200 -18.7634 -24.1914 -7.39198 -21.604 25.3104 12.6402 -11.0299 11.0114 -23.2476 TIMING: 438200 CPU: 1313.29, 0.00300637/step Wall: 1313.29, 0.00300637/step, 3.80957 hours remaining, 207.914062 MB of memory in use. ENERGY: 438200 770.6221 2114.4870 1965.2503 105.2251 -206391.8559 17964.3163 0.0000 0.0000 34220.1955 -149251.7596 298.8535 -183471.9551 -149153.0745 299.5785 -146.5613 -111.1644 559798.0198 -5.6434 -5.5669 PRESSURE: 438400 -262.076 61.7098 -4.00556 61.7099 -343.225 93.8668 -4.00475 93.866 -121.457 GPRESSURE: 438400 -255.845 95.6923 2.08701 88.2945 -250.935 130.627 -57.4673 118.447 -117.848 PRESSAVG: 438400 -31.4433 -17.2987 -42.4115 -17.2987 57.1724 18.0121 -42.4114 18.0121 15.2948 GPRESSAVG: 438400 -30.5359 -15.8586 -42.4646 -16.7864 55.9042 19.404 -43.3038 15.9051 15.8857 TIMING: 438400 CPU: 1313.89, 0.00299315/step Wall: 1313.89, 0.00299315/step, 3.79266 hours remaining, 207.914062 MB of memory in use. ENERGY: 438400 756.0728 2079.6381 1949.6874 100.9948 -205974.5539 17600.9499 0.0000 0.0000 34251.7440 -149235.4669 299.1290 -183487.2109 -149137.6416 299.5735 -242.2524 -208.2094 559822.9492 13.6746 13.7514 PRESSURE: 438600 -150.545 1.7203 -60.0409 1.72006 -184.947 -1.37318 -60.0411 -1.37321 -106.748 GPRESSURE: 438600 -137.879 -11.8413 -23.9935 -58.4398 -171.552 -51.4885 -13.4297 39.3718 -27.1329 PRESSAVG: 438600 -19.6792 -10.2079 7.56959 -10.208 -51.6692 17.4119 7.56965 17.412 76.1318 GPRESSAVG: 438600 -20.1168 -10.7325 5.90436 -10.6985 -51.598 16.3171 11.2003 17.5736 76.8124 TIMING: 438600 CPU: 1314.49, 0.00297854/step Wall: 1314.49, 0.00297854/step, 3.77398 hours remaining, 207.914062 MB of memory in use. ENERGY: 438600 754.6878 2078.0021 1978.1088 125.5649 -206209.1196 17807.2880 0.0000 0.0000 34104.4110 -149361.0570 297.8423 -183465.4680 -149260.6614 298.6081 -147.4136 -112.1880 559801.3450 1.5945 1.6992 PRESSURE: 438800 78.2301 -108.764 70.2186 -108.765 -300.745 151.617 70.2194 151.616 -353.717 GPRESSURE: 438800 165.078 -28.552 109.41 -183.949 -326.781 58.2558 135.996 158.513 -303.184 PRESSAVG: 438800 33.0009 0.519727 33.2478 0.519743 -29.963 10.8011 33.2478 10.8011 0.681228 GPRESSAVG: 438800 33.9699 2.19545 33.885 -0.655153 -30.2541 9.74605 31.3651 10.2975 0.426276 TIMING: 438800 CPU: 1315.09, 0.00301401/step Wall: 1315.09, 0.00301401/step, 3.81875 hours remaining, 207.914062 MB of memory in use. ENERGY: 438800 758.5539 2114.5448 1904.8261 118.2256 -205897.1892 17536.1660 0.0000 0.0000 34205.8841 -149258.9886 298.7285 -183464.8727 -149166.7155 298.3477 -192.0773 -154.9620 560451.0651 1.2397 1.3807 PRESSURE: 439000 -161.962 -139.366 -182.495 -139.364 117.046 -11.7085 -182.494 -11.709 -260.063 GPRESSURE: 439000 -87.8524 -184.19 -98.0392 -160.875 85.7538 -54.3582 -213.326 -46.1966 -208.93 PRESSAVG: 439000 28.2432 -16.9799 78.297 -16.98 35.9814 52.7221 78.297 52.7222 -48.0925 GPRESSAVG: 439000 27.5894 -17.7379 77.746 -14.4461 37.0492 53.2121 77.5717 53.0806 -48.4797 TIMING: 439000 CPU: 1315.7, 0.0030544/step Wall: 1315.7, 0.0030544/step, 3.86976 hours remaining, 207.914062 MB of memory in use. ENERGY: 439000 761.9095 2088.5265 1963.4452 114.4160 -206091.6268 17705.3453 0.0000 0.0000 34324.4887 -149133.4956 299.7643 -183457.9843 -149039.5337 299.3607 -101.6596 -70.3427 558948.7156 5.3774 5.3863 PRESSURE: 439200 101.197 58.0508 41.8729 58.0489 129.556 -143.278 41.8738 -143.278 125.869 GPRESSURE: 439200 153.86 42.3087 133.702 84.2512 155.46 14.8427 -36.1707 -199.047 140.217 PRESSAVG: 439200 -4.78316 -8.10228 -40.0165 -8.1022 0.888781 -56.6167 -40.0165 -56.6168 -28.3509 GPRESSAVG: 439200 -5.06104 -8.11539 -39.7003 -10.5628 0.24514 -57.2999 -40.9403 -54.6935 -27.4057 TIMING: 439200 CPU: 1316.31, 0.00304357/step Wall: 1316.31, 0.00304357/step, 3.85587 hours remaining, 207.914062 MB of memory in use. ENERGY: 439200 702.6173 2138.4028 1966.1023 119.1409 -206629.5017 18150.4062 0.0000 0.0000 34367.8553 -149184.9770 300.1430 -183552.8323 -149087.1618 300.3214 118.8739 149.8457 559226.6454 -10.7484 -10.7405 PRESSURE: 439400 141.451 -0.494192 -148.139 -0.494213 35.2908 -68.9382 -148.139 -68.937 7.27227 GPRESSURE: 439400 198.874 -40.1781 -114.048 5.68504 71.3923 -129.027 -203.235 17.5328 13.4359 PRESSAVG: 439400 -0.488344 -1.20818 10.6101 -1.20822 -49.8563 -62.2411 10.6101 -62.241 36.0436 GPRESSAVG: 439400 -0.503408 -0.745415 10.8875 -1.47902 -48.4749 -61.3308 10.3778 -63.1729 34.8864 TIMING: 439400 CPU: 1316.91, 0.00300094/step Wall: 1316.91, 0.00300094/step, 3.80169 hours remaining, 207.914062 MB of memory in use. ENERGY: 439400 723.8144 2084.8592 1947.7076 108.9486 -206649.8936 18002.9772 0.0000 0.0000 34690.0162 -149091.5704 302.9565 -183781.5866 -148990.4662 300.1610 61.3379 94.5673 556721.4247 -4.7670 -4.6973 PRESSURE: 439600 -119.849 -60.5083 24.9941 -60.5073 -217.985 64.9281 24.9943 64.9285 48.6597 GPRESSURE: 439600 -77.114 -18.7553 -1.14748 -1.28483 -198.883 34.5942 0.907774 -24.4679 84.0838 PRESSAVG: 439600 6.62366 -26.0886 -32.6791 -26.0885 -2.01629 8.34613 -32.679 8.346 29.6012 GPRESSAVG: 439600 5.69731 -25.8319 -33.4267 -24.6112 -3.02921 8.24804 -31.1006 6.71004 31.1086 TIMING: 439600 CPU: 1317.5, 0.00297025/step Wall: 1317.5, 0.00297025/step, 3.76265 hours remaining, 207.914062 MB of memory in use. ENERGY: 439600 781.7801 2098.9964 1963.4008 109.5765 -206160.4892 17796.6381 0.0000 0.0000 34439.9931 -148970.1042 300.7730 -183410.0973 -148874.5773 299.7020 -96.3915 -63.9711 558839.7782 11.4028 11.2589 PRESSURE: 439800 -143.951 91.7585 -139.828 91.7576 234.596 -68.7701 -139.827 -68.7691 109.087 GPRESSURE: 439800 -95.1829 109.552 -66.886 49.3581 265.667 -107.298 -219.858 -82.1071 113.54 PRESSAVG: 439800 -60.4267 0.800116 -34.5576 0.80004 -14.5046 0.248984 -34.5576 0.24891 46.3618 GPRESSAVG: 439800 -59.3552 -0.134656 -33.4658 1.26608 -15.053 -0.931307 -35.9053 2.4892 45.9093 TIMING: 439800 CPU: 1318.1, 0.00296566/step Wall: 1318.1, 0.00296566/step, 3.75667 hours remaining, 207.914062 MB of memory in use. ENERGY: 439800 735.9517 2028.5554 1927.0564 131.6358 -205994.3365 17887.8223 0.0000 0.0000 34343.3229 -148939.9920 299.9288 -183283.3149 -148835.2568 299.6921 66.5774 94.6748 559541.4964 -9.5231 -9.4996 PRESSURE: 440000 -138.308 31.1973 -36.2254 31.197 -21.8318 -62.4249 -36.2268 -62.4251 -156.815 GPRESSURE: 440000 -110.151 35.1929 -90.4527 -10.7321 -21.9864 8.904 37.188 -58.3011 -91.6564 PRESSAVG: 440000 -30.771 -8.88849 -24.207 -8.88853 -7.39813 29.8013 -24.207 29.8013 62.0825 GPRESSAVG: 440000 -31.5021 -7.79169 -25.236 -9.45055 -7.45313 30.9435 -23.1906 27.983 62.3738 TIMING: 440000 CPU: 1318.69, 0.00299105/step Wall: 1318.69, 0.00299105/step, 3.78866 hours remaining, 207.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 440000 725.0582 2069.2881 1951.0021 114.2326 -205664.5569 17490.6094 0.0000 0.0000 34202.9647 -149111.4018 298.7030 -183314.3666 -149013.8519 299.9127 -105.6514 -74.5979 558593.6848 7.9711 7.8062 PRESSURE: 440200 -140.261 18.1286 -37.0764 18.1289 -266.398 104.638 -37.0774 104.638 -204.84 GPRESSURE: 440200 -113.405 0.694114 -44.7676 107.976 -238.47 81.4725 -86.0148 83.2735 -158.355 PRESSAVG: 440200 -5.18142 -28.9669 7.02544 -28.9669 -7.15467 60.7865 7.02539 60.7866 -71.4405 GPRESSAVG: 440200 -6.05706 -30.199 5.92635 -27.7201 -6.78804 60.8064 6.71261 62.3801 -70.963 TIMING: 440200 CPU: 1319.3, 0.00301374/step Wall: 1319.3, 0.00301374/step, 3.81723 hours remaining, 207.914062 MB of memory in use. ENERGY: 440200 746.8458 2064.9155 1967.8826 114.8829 -205897.8103 17568.4424 0.0000 0.0000 34211.2330 -149223.6081 298.7752 -183434.8411 -149118.4632 298.9588 -203.8329 -170.0765 559091.1589 -27.9255 -27.9360 LDB: ============= START OF LOAD BALANCING ============== 1322.82 LDB: ============== END OF LOAD BALANCING =============== 1322.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1322.82 LDB: ============= START OF LOAD BALANCING ============== 1323.12 LDB: Largest compute 4800 load 0.029080 is 24.7% of average load 0.117814 LDB: Average compute 0.001716 is 1.5% of average load 0.117814 LDB: TIME 1323.12 LOAD: AVG 0.117814 MAX 0.215404 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.473 MB LDB: TIME 1323.12 LOAD: AVG 0.117814 MAX 0.215404 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.543 MB LDB: TIME 1323.12 LOAD: AVG 0.117814 MAX 0.215404 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.543 MB LDB: ============== END OF LOAD BALANCING =============== 1323.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1323.13 PRESSURE: 440400 69.2443 -163.975 -183.95 -163.976 52.3555 -40.3628 -183.949 -40.3628 -43.6064 GPRESSURE: 440400 126.525 -204.106 -156.985 -184.219 102.426 20.3464 -137.955 22.3651 -54.4089 PRESSAVG: 440400 76.6531 31.3066 19.2141 31.3065 -15.7091 -40.9443 19.2141 -40.9443 -6.59092 GPRESSAVG: 440400 77.3409 31.5458 20.8366 29.5807 -15.2475 -40.4411 18.3712 -41.6197 -7.9267 TIMING: 440400 CPU: 1319.91, 0.00308422/step Wall: 1319.91, 0.00308422/step, 3.90634 hours remaining, 206.253906 MB of memory in use. ENERGY: 440400 742.7202 2147.2066 1928.5927 110.2657 -206165.8891 17885.2101 0.0000 0.0000 34338.8907 -149013.0032 299.8901 -183351.8939 -148920.6440 299.3406 25.9978 58.1808 557209.2390 18.1177 18.0556 PRESSURE: 440600 -65.537 -184.454 -69.8588 -184.453 -47.6733 98.8209 -69.8587 98.8195 -22.7179 GPRESSURE: 440600 -24.2766 -164.368 2.85128 -127.945 -12.9184 112.012 -195.664 127.505 5.75356 PRESSAVG: 440600 26.5773 -26.4777 -38.065 -26.4776 -35.8243 31.5458 -38.0651 31.5458 22.532 GPRESSAVG: 440600 28.0096 -26.4435 -38.952 -25.7219 -36.9915 31.1994 -37.4716 30.5413 21.9657 TIMING: 440600 CPU: 1320.51, 0.00300089/step Wall: 1320.51, 0.0030009/step, 3.80063 hours remaining, 206.714844 MB of memory in use. ENERGY: 440600 707.4182 2087.7368 1930.7100 110.6750 -205871.0300 17658.7412 0.0000 0.0000 34409.9050 -148965.8439 300.5103 -183375.7489 -148872.6709 299.8350 -45.3094 -10.4805 557468.2480 4.4283 4.3279 PRESSURE: 440800 -119.008 -91.6761 -66.6263 -91.6769 -39.671 46.6564 -66.6272 46.6548 1.24965 GPRESSURE: 440800 -102.922 -106.92 -72.3378 -3.66648 -7.18661 -29.4638 -128.886 14.604 56.9108 PRESSAVG: 440800 19.4919 10.1234 -1.31024 10.1235 -26.5614 44.8668 -1.31023 44.8669 0.155966 GPRESSAVG: 440800 18.5697 7.63285 -2.01573 11.8028 -26.009 45.953 -1.73305 46.7055 0.829167 TIMING: 440800 CPU: 1321.13, 0.0030628/step Wall: 1321.13, 0.0030628/step, 3.87887 hours remaining, 206.714844 MB of memory in use. ENERGY: 440800 738.7877 2069.4827 1965.8469 126.5989 -206092.8674 17852.4151 0.0000 0.0000 34517.5552 -148822.1809 301.4504 -183339.7361 -148724.7883 300.1406 -52.4765 -17.7327 557989.5110 -2.3045 -2.2034 PRESSURE: 441000 -245.015 -130.309 61.9064 -130.307 -134.769 -7.72229 61.9068 -7.72159 -83.3103 GPRESSURE: 441000 -227.92 -154.173 64.6834 -114.303 -84.1224 -102.248 32.6289 92.9444 -59.6397 PRESSAVG: 441000 -8.74001 40.1321 -7.01155 40.1321 -30.5077 -28.2995 -7.01149 -28.2994 8.30266 GPRESSAVG: 441000 -9.1457 42.4524 -6.02701 38.0782 -30.6411 -29.2366 -7.12803 -28.0761 8.84027 TIMING: 441000 CPU: 1321.74, 0.00304149/step Wall: 1321.74, 0.00304149/step, 3.85171 hours remaining, 206.714844 MB of memory in use. ENERGY: 441000 777.6564 2115.7947 1957.4547 117.1835 -205741.7944 17613.4204 0.0000 0.0000 34215.5725 -148944.7121 298.8131 -183160.2846 -148854.7532 299.8859 -154.3647 -123.8941 560065.3259 -10.3150 -10.3155 PRESSURE: 441200 26.4315 37.997 -200.294 37.9982 -170.398 -84.8461 -200.294 -84.8468 -298.655 GPRESSURE: 441200 -6.32633 0.973102 -150.823 64.1784 -133.865 16.9993 -161.552 -93.1374 -204.725 PRESSAVG: 441200 -24.5304 5.33512 59.7583 5.3351 -50.257 -42.141 59.7584 -42.141 96.2688 GPRESSAVG: 441200 -25.6829 5.70623 59.586 6.09365 -50.8443 -42.8332 60.451 -43.5787 97.8601 TIMING: 441200 CPU: 1322.35, 0.00305372/step Wall: 1322.35, 0.00305372/step, 3.86703 hours remaining, 206.714844 MB of memory in use. ENERGY: 441200 754.7140 2097.0286 1923.7064 107.0633 -205574.6912 17604.8668 0.0000 0.0000 34127.7543 -148959.5579 298.0462 -183087.3122 -148855.2415 300.4915 -147.5403 -114.9720 559296.2448 7.1605 7.1109 PRESSURE: 441400 -270.043 49.458 -139.226 49.4587 -89.2435 -111.202 -139.226 -111.202 28.4118 GPRESSURE: 441400 -278.775 -27.007 -135.096 23.2053 -33.7458 -105.965 -71.89 -113.519 77.9183 PRESSAVG: 441400 45.4178 9.01228 50.9491 9.01227 22.9332 57.8209 50.9491 57.8208 -68.1798 GPRESSAVG: 441400 46.0989 8.78811 51.6376 8.63158 23.3569 59.8178 49.0989 56.5112 -69.1184 TIMING: 441400 CPU: 1322.95, 0.00303648/step Wall: 1322.95, 0.00303648/step, 3.84503 hours remaining, 206.714844 MB of memory in use. ENERGY: 441400 748.0337 2048.8902 1949.8041 131.1471 -205955.0686 17744.9739 0.0000 0.0000 34330.6790 -149001.5406 299.8184 -183332.2195 -148906.9984 300.2840 -110.2916 -78.2008 558741.4762 0.0570 0.1125 PRESSURE: 441600 -141.819 138.061 138.858 138.06 -96.1969 1.32553 138.857 1.32524 90.7045 GPRESSURE: 441600 -75.6614 154.117 30.7114 29.3511 -40.4207 -42.3813 194.864 12.6536 59.8656 PRESSAVG: 441600 36.2247 44.3524 -14.5487 44.3525 -14.5857 -64.323 -14.5487 -64.3231 6.20515 GPRESSAVG: 441600 35.5751 43.9328 -12.7701 42.8806 -14.3279 -65.0039 -14.0554 -63.9398 6.87215 TIMING: 441600 CPU: 1323.56, 0.00303392/step Wall: 1323.56, 0.00303392/step, 3.84162 hours remaining, 206.714844 MB of memory in use. ENERGY: 441600 703.4831 1988.1796 1954.6283 104.6482 -205748.9996 17629.4190 0.0000 0.0000 34463.2661 -148905.3753 300.9763 -183368.6414 -148803.6437 300.3548 -49.1037 -18.7388 558448.0238 9.2814 9.3731 PRESSURE: 441800 -92.7647 -85.9565 -208.504 -85.9574 87.472 141.538 -208.504 141.536 -216.429 GPRESSURE: 441800 -95.5465 -62.1509 -237.124 -71.9335 144.603 156.545 -121.417 123.941 -162.694 PRESSAVG: 441800 10.9398 34.0003 45.2035 34.0002 -34.9111 -54.1163 45.2035 -54.1162 8.18801 GPRESSAVG: 441800 12.2498 37.9428 43.6386 33.3774 -34.2772 -52.5059 44.0924 -54.4492 5.84474 TIMING: 441800 CPU: 1324.16, 0.00300843/step Wall: 1324.16, 0.00300843/step, 3.80917 hours remaining, 206.714844 MB of memory in use. ENERGY: 441800 723.4795 2087.1068 1905.1590 111.4761 -205929.5919 17748.0478 0.0000 0.0000 34280.5142 -149073.8086 299.3803 -183354.3228 -148965.2447 299.9754 -73.9073 -37.8791 559491.9326 -5.2611 -5.3942 PRESSURE: 442000 -171.706 -42.9724 38.1925 -42.972 12.9747 44.2342 38.1919 44.235 106.54 GPRESSURE: 442000 -153.691 -54.5694 -50.6436 -63.8959 108.951 -119.124 78.5742 102.87 107.056 PRESSAVG: 442000 -7.98159 -15.1255 45.5874 -15.1255 60.4154 -17.3704 45.5874 -17.3704 -16.9958 GPRESSAVG: 442000 -7.94895 -20.3143 42.8727 -12.6046 60.1022 -20.0302 47.7335 -15.8457 -15.789 TIMING: 442000 CPU: 1324.76, 0.00298585/step Wall: 1324.76, 0.00298585/step, 3.78042 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: 442000 737.5313 2059.6061 1946.6482 109.2719 -206100.7711 17863.1415 0.0000 0.0000 34398.4049 -148986.1673 300.4098 -183384.5721 -148894.5483 299.6880 -17.3971 20.7720 558750.8241 11.8127 12.1214 PRESSURE: 442200 -15.2062 -86.8042 121.616 -86.8061 -536.523 -94.2444 121.616 -94.2439 -139.638 GPRESSURE: 442200 -2.63703 -134.479 84.1704 -153.734 -472.245 6.35197 170.83 -80.3648 -116.179 PRESSAVG: 442200 61.9205 -20.5712 79.0851 -20.5713 -45.7774 -40.1922 79.0851 -40.1923 -8.71377 GPRESSAVG: 442200 62.1105 -18.4397 79.973 -22.5626 -45.675 -39.9615 78.6583 -39.6509 -9.00353 TIMING: 442200 CPU: 1325.36, 0.0030152/step Wall: 1325.36, 0.0030152/step, 3.81741 hours remaining, 206.714844 MB of memory in use. ENERGY: 442200 740.4743 2123.3424 1951.3855 105.7231 -205616.8189 17278.0462 0.0000 0.0000 34642.1263 -148775.7211 302.5383 -183417.8474 -148673.4158 299.9883 -230.4558 -197.0206 557477.3712 2.4764 2.4773 PRESSURE: 442400 -79.949 -81.7477 -128.152 -81.7482 225.164 -100.022 -128.153 -100.023 48.2889 GPRESSURE: 442400 -71.3213 3.17888 -43.5806 -39.0879 255.051 -30.7706 -117.481 -132.47 102.747 PRESSAVG: 442400 75.0187 -41.2358 -30.3402 -41.2359 -66.106 -71.336 -30.3403 -71.336 -10.6978 GPRESSAVG: 442400 74.8822 -40.325 -29.7546 -40.4135 -67.0021 -70.7762 -31.1187 -71.6794 -9.70808 TIMING: 442400 CPU: 1325.97, 0.00301991/step Wall: 1325.97, 0.00301991/step, 3.8232 hours remaining, 206.714844 MB of memory in use. ENERGY: 442400 749.0945 2036.5129 1957.9599 113.9345 -206241.0278 17808.4809 0.0000 0.0000 34574.9589 -149000.0861 301.9517 -183575.0451 -148902.4971 300.4682 64.5013 95.4922 556734.0050 -0.5950 -0.6093 PRESSURE: 442600 -84.5891 5.98347 149.904 5.98473 152.322 -37.2285 149.905 -37.2302 -49.2865 GPRESSURE: 442600 -51.844 -30.6015 240.932 45.8549 217.198 40.2464 103.178 -86.8641 -29.0018 PRESSAVG: 442600 6.94193 -9.45975 14.5683 -9.4598 57.0703 -14.3621 14.5683 -14.3621 -33.8332 GPRESSAVG: 442600 7.76927 -11.0707 14.9297 -8.38081 57.2829 -15.6999 15.3268 -11.7085 -34.1701 TIMING: 442600 CPU: 1326.57, 0.00301911/step Wall: 1326.57, 0.00301911/step, 3.82202 hours remaining, 206.714844 MB of memory in use. ENERGY: 442600 745.1395 2046.9876 1962.5180 107.6396 -206262.3118 18010.7490 0.0000 0.0000 34345.1727 -149044.1055 299.9449 -183389.2782 -148943.3408 300.0648 6.1489 45.4508 557400.3811 10.0597 10.2940 PRESSURE: 442800 -206.861 209.413 101.699 209.412 -108.945 86.9882 101.7 86.9874 -121.118 GPRESSURE: 442800 -127.241 120.32 23.2446 154.778 -113.918 124.311 153.807 144.83 -108.027 PRESSAVG: 442800 -60.8321 16.9425 30.864 16.9424 23.4989 -1.65922 30.8641 -1.65913 35.8094 GPRESSAVG: 442800 -61.4853 15.6613 31.1289 15.3483 23.7422 -2.29204 29.2692 -1.13683 35.7703 TIMING: 442800 CPU: 1327.18, 0.00302792/step Wall: 1327.18, 0.00302792/step, 3.83302 hours remaining, 206.714844 MB of memory in use. ENERGY: 442800 766.9589 2134.0654 1930.2730 99.1759 -206153.2524 17762.5724 0.0000 0.0000 34283.8023 -149176.4044 299.4090 -183460.2067 -149078.8665 299.4515 -145.6416 -116.3952 558891.0392 -0.5079 -0.6576 PRESSURE: 443000 -78.208 12.0985 216.746 12.0977 88.8621 20.1244 216.747 20.1247 207.186 GPRESSURE: 443000 -27.7237 -34.1042 145.199 -52.969 96.7802 -4.60345 222.42 78.7035 248.224 PRESSAVG: 443000 9.03514 -18.0141 19.0402 -18.0141 23.0096 15.9048 19.0403 15.9048 -48.2989 GPRESSAVG: 443000 8.8787 -15.1949 18.5401 -17.625 22.3516 18.2957 19.3848 14.0354 -47.5438 TIMING: 443000 CPU: 1327.78, 0.00302849/step Wall: 1327.78, 0.00302849/step, 3.83357 hours remaining, 206.714844 MB of memory in use. ENERGY: 443000 748.8588 2153.9342 1936.3255 119.6399 -206314.5996 17856.5761 0.0000 0.0000 34141.1651 -149358.1000 298.1633 -183499.2650 -149268.3241 299.0081 72.6133 105.7603 557500.8926 -5.4180 -5.4378 PRESSURE: 443200 55.6956 -115.333 -68.9976 -115.333 -50.3995 -19.4069 -68.9968 -19.4058 77.4783 GPRESSURE: 443200 31.2767 -154.209 -56.4082 -20.5157 6.15575 90.6053 -125.682 -46.1605 140.273 PRESSAVG: 443200 -4.01293 -15.2551 -13.3877 -15.2552 -12.6352 18.6973 -13.3879 18.6973 -16.1582 GPRESSAVG: 443200 -4.86309 -17.957 -13.0234 -15.672 -11.55 17.5894 -13.431 18.6774 -17.2406 TIMING: 443200 CPU: 1328.38, 0.00300595/step Wall: 1328.38, 0.00300595/step, 3.80487 hours remaining, 206.714844 MB of memory in use. ENERGY: 443200 762.4444 2088.2222 1925.2510 120.9503 -206304.0127 17835.3223 0.0000 0.0000 34310.2216 -149261.6010 299.6397 -183571.8226 -149173.6024 299.4639 27.5915 59.2351 555367.8788 -10.9354 -11.2179 PRESSURE: 443400 186.878 2.39258 127.76 2.39364 89.7449 -2.76079 127.76 -2.76151 148.872 GPRESSURE: 443400 229.554 26.5758 134.226 29.2224 123.701 3.91877 135.744 53.4969 166.704 PRESSAVG: 443400 -30.6461 -17.8048 39.7138 -17.8047 49.0621 21.621 39.7137 21.621 18.615 GPRESSAVG: 443400 -30.8747 -15.2121 39.2261 -16.8328 49.1069 22.8573 39.1831 22.4305 18.1246 TIMING: 443400 CPU: 1328.99, 0.00305267/step Wall: 1328.99, 0.00305267/step, 3.86383 hours remaining, 206.714844 MB of memory in use. ENERGY: 443400 771.8859 2074.9155 1937.5105 100.9577 -206233.7196 18011.1901 0.0000 0.0000 34053.6594 -149283.6005 297.3991 -183337.2599 -149185.4227 299.1044 141.8317 173.3196 557415.9956 12.3437 12.1189 PRESSURE: 443600 -118.808 -108.083 76.2303 -108.082 -318.26 237.391 76.2298 237.391 -123.922 GPRESSURE: 443600 -122.084 -90.0692 0.164665 -181.157 -250.494 278.856 93.7107 163.612 -115.313 PRESSAVG: 443600 2.97322 -10.1293 31.4443 -10.1292 7.31782 8.84675 31.4443 8.84675 -2.56529 GPRESSAVG: 443600 3.65741 -11.54 31.1286 -10.2475 6.62991 9.9645 32.5306 7.5513 -2.41234 TIMING: 443600 CPU: 1329.6, 0.00305997/step Wall: 1329.6, 0.00305997/step, 3.8729 hours remaining, 206.714844 MB of memory in use. ENERGY: 443600 732.4734 2128.8781 1948.5544 108.6025 -205980.7582 17524.4546 0.0000 0.0000 34155.4808 -149382.3143 298.2883 -183537.7951 -149285.7433 298.3560 -186.9965 -162.6306 557334.8610 2.5753 2.6250 PRESSURE: 443800 -141.721 -66.1384 57.5901 -66.138 -25.0688 -10.1165 57.589 -10.1153 80.8747 GPRESSURE: 443800 -108.652 -39.4378 -13.2953 -56.4987 23.9421 3.59375 107.256 -17.7382 99.3584 PRESSAVG: 443800 -56.4121 -9.82179 75.8538 -9.82165 -49.663 46.7609 75.8539 46.7609 101.42 GPRESSAVG: 443800 -57.3877 -12.7999 77.3392 -7.80012 -48.9106 45.6069 75.5392 47.1729 102.008 TIMING: 443800 CPU: 1330.21, 0.00303128/step Wall: 1330.21, 0.00303128/step, 3.83643 hours remaining, 206.714844 MB of memory in use. ENERGY: 443800 718.6445 2039.6204 1939.9165 110.6976 -206275.9697 17865.1739 0.0000 0.0000 34262.2287 -149339.6881 299.2206 -183601.9168 -149237.2704 299.2910 -28.6383 4.8827 557595.1920 -1.5518 -1.4300 PRESSURE: 444000 -8.86965 -19.7944 29.4592 -19.7947 -193.431 55.2756 29.4595 55.2755 -52.9183 GPRESSURE: 444000 40.3093 -22.0933 -67.5632 -40.078 -142.133 114.029 78.3523 46.2237 -56.8865 PRESSAVG: 444000 -3.57154 26.3549 40.7265 26.3548 -61.3467 44.0577 40.7265 44.0576 54.1271 GPRESSAVG: 444000 -2.40773 28.3433 41.3503 25.7451 -62.2518 43.6881 40.5678 42.7018 54.0001 TIMING: 444000 CPU: 1330.81, 0.00298864/step Wall: 1330.81, 0.00298864/step, 3.78229 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: 444000 752.8987 2087.5178 1949.6968 126.0690 -206597.8804 17861.9036 0.0000 0.0000 34476.2885 -149343.5060 301.0900 -183819.7945 -149252.1781 298.3997 -85.0728 -52.9035 556590.6369 -3.5971 -3.5532 PRESSURE: 444200 -267.123 62.5998 87.7586 62.5991 -305.759 -13.7817 87.7591 -13.7817 -361.046 GPRESSURE: 444200 -265.666 130.982 77.4783 33.981 -271.705 -14.5837 130.883 -25.8841 -291.97 PRESSAVG: 444200 -25.4013 -15.8945 81.6328 -15.8944 1.87287 -20.7764 81.6328 -20.7764 10.4916 GPRESSAVG: 444200 -25.2206 -15.4154 79.9132 -16.9615 0.68141 -22.1118 81.5763 -20.4519 11.2791 TIMING: 444200 CPU: 1331.4, 0.00297159/step Wall: 1331.4, 0.00297159/step, 3.76055 hours remaining, 206.714844 MB of memory in use. ENERGY: 444200 743.6649 2077.9920 1937.2598 122.6304 -206177.8064 17644.5837 0.0000 0.0000 34207.8258 -149443.8497 298.7455 -183651.6755 -149346.3568 298.8146 -311.3093 -276.4472 558288.9389 -4.3456 -4.4200 LDB: ============= START OF LOAD BALANCING ============== 1334.92 LDB: ============== END OF LOAD BALANCING =============== 1334.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1334.92 LDB: ============= START OF LOAD BALANCING ============== 1335.22 LDB: Largest compute 4773 load 0.031172 is 26.4% of average load 0.117885 LDB: Average compute 0.001730 is 1.5% of average load 0.117885 LDB: TIME 1335.22 LOAD: AVG 0.117885 MAX 0.21116 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.797 MB LDB: TIME 1335.22 LOAD: AVG 0.117885 MAX 0.21116 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.797 MB LDB: TIME 1335.22 LOAD: AVG 0.117885 MAX 0.21116 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.797 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1335.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1335.23 PRESSURE: 444400 -101.756 24.6596 -68.6088 24.6586 -211.657 -155.9 -68.6084 -155.9 192.247 GPRESSURE: 444400 -20.9604 14.1707 -72.2715 2.33387 -199.636 -133.506 -90.2729 -162.572 208.672 PRESSAVG: 444400 37.4854 62.616 49.6451 62.6159 -14.9308 22.0525 49.645 22.0524 9.40708 GPRESSAVG: 444400 37.3286 62.4749 49.725 62.3221 -13.716 23.7765 50.0453 20.7682 7.83945 TIMING: 444400 CPU: 1332.01, 0.00304433/step Wall: 1332.01, 0.00304433/step, 3.85243 hours remaining, 208.304688 MB of memory in use. ENERGY: 444400 736.7185 2072.7580 1962.5530 118.3427 -206320.7598 17806.9855 0.0000 0.0000 34049.9341 -149573.4679 297.3665 -183623.4020 -149470.6035 298.1370 -40.3888 -3.9749 557653.2837 10.6539 10.4840 PRESSURE: 444600 -273.268 34.3778 -33.6425 34.3783 104.745 -109.119 -33.6416 -109.117 241.007 GPRESSURE: 444600 -243.835 -19.518 45.677 -32.3693 121.937 -143.36 -72.135 -57.7215 282.25 PRESSAVG: 444600 -31.5894 -4.80324 8.46725 -4.80314 -73.2092 -29.4942 8.46717 -29.4941 56.2771 GPRESSAVG: 444600 -30.8006 -3.19131 9.47742 -5.98667 -73.4659 -30.0064 8.61702 -28.0046 55.7968 TIMING: 444600 CPU: 1332.62, 0.0030285/step Wall: 1332.62, 0.0030285/step, 3.83223 hours remaining, 208.371094 MB of memory in use. ENERGY: 444600 707.1193 2060.4793 1947.5560 106.9209 -206736.4802 17970.5424 0.0000 0.0000 34184.5288 -149759.3336 298.5420 -183943.8623 -149668.8599 297.1176 24.1615 53.4508 557592.3580 -16.1738 -16.1566 PRESSURE: 444800 30.3328 -84.2116 -71.2475 -84.2111 -101.342 -3.67788 -71.2471 -3.67745 -49.6155 GPRESSURE: 444800 83.5444 -129.146 -113.65 -37.9603 -68.1125 -4.15969 -0.577709 -13.7212 -36.2439 PRESSAVG: 444800 -23.5855 9.38242 -33.6471 9.38241 -61.5536 40.0349 -33.6471 40.0349 72.7406 GPRESSAVG: 444800 -24.6917 6.0519 -34.0937 11.9544 -61.7835 38.2314 -34.9258 40.1761 74.3309 TIMING: 444800 CPU: 1333.22, 0.00299635/step Wall: 1333.22, 0.00299635/step, 3.79138 hours remaining, 208.371094 MB of memory in use. ENERGY: 444800 736.7439 2095.5742 1908.0453 127.7938 -206416.4012 17945.1912 0.0000 0.0000 33963.8683 -149639.1846 296.6149 -183603.0529 -149538.2289 296.6812 -40.2081 -6.9373 559142.5444 -4.1328 -4.0481 PRESSURE: 445000 -204.269 10.9962 -7.16952 10.998 -177.905 -190.46 -7.16869 -190.459 -117.951 GPRESSURE: 445000 -192.898 -41.9921 26.7251 58.5057 -166.467 -63.482 85.2346 -261.8 -43.0098 PRESSAVG: 445000 36.3201 5.88765 -57.2206 5.88765 -23.5637 -53.2552 -57.2207 -53.2552 7.65353 GPRESSAVG: 445000 36.7048 8.26421 -57.7242 4.48693 -24.1479 -49.9805 -54.6803 -54.5736 7.62995 TIMING: 445000 CPU: 1333.81, 0.00298888/step Wall: 1333.81, 0.00298888/step, 3.78176 hours remaining, 208.628906 MB of memory in use. ENERGY: 445000 709.9086 2066.7888 1957.7346 115.1149 -205785.7642 17517.8742 0.0000 0.0000 34030.2682 -149388.0750 297.1948 -183418.3432 -149289.0439 297.9792 -166.7084 -134.1249 559598.1942 6.8033 6.7289 PRESSURE: 445200 -179.871 -75.0919 -31.54 -75.0908 36.5812 19.3651 -31.5403 19.3661 -263.468 GPRESSURE: 445200 -160.689 -115.276 -101.718 -54.7974 50.6883 47.9536 -42.9919 7.57606 -208.987 PRESSAVG: 445200 -42.1357 -11.695 -41.3402 -11.6951 59.8282 -35.1516 -41.3402 -35.1516 -5.51669 GPRESSAVG: 445200 -42.5495 -12.4219 -40.7349 -11.0104 59.9023 -36.0974 -43.3029 -36.1783 -4.90748 TIMING: 445200 CPU: 1334.41, 0.00297758/step Wall: 1334.41, 0.00297758/step, 3.7673 hours remaining, 208.628906 MB of memory in use. ENERGY: 445200 735.2368 2095.2505 1957.8473 111.1027 -206350.7248 17724.9963 0.0000 0.0000 34295.8587 -149430.4325 299.5143 -183726.2912 -149334.6783 298.9551 -135.5859 -106.3294 558019.8639 4.0586 4.1485 PRESSURE: 445400 -17.3722 -103.767 -130.673 -103.766 -143.891 -32.2726 -130.673 -32.2721 -42.0759 GPRESSURE: 445400 4.11863 -12.4774 -55.109 -137.514 -86.3601 -95.5775 -147.787 -19.5106 -31.6127 PRESSAVG: 445400 48.427 -45.7825 -11.1911 -45.7824 -35.7061 -56.8111 -11.1912 -56.8111 50.3611 GPRESSAVG: 445400 47.8177 -45.4407 -11.6795 -45.7889 -33.3038 -57.8491 -10.6963 -53.2323 48.508 TIMING: 445400 CPU: 1335.01, 0.00301037/step Wall: 1335.01, 0.00301037/step, 3.80862 hours remaining, 208.628906 MB of memory in use. ENERGY: 445400 756.1700 2117.0721 1925.6379 107.4152 -206255.5806 17838.1346 0.0000 0.0000 34103.5356 -149407.6152 297.8347 -183511.1508 -149316.7017 298.9149 -67.7796 -37.9514 558586.3729 21.0273 21.0073 PRESSURE: 445600 -48.5048 171.537 -15.9587 171.537 -343.007 31.5428 -15.9597 31.541 -265.131 GPRESSURE: 445600 56.7444 160.447 -80.7644 156.749 -377.739 -16.5789 62.549 1.33529 -236.683 PRESSAVG: 445600 21.512 24.864 -14.2273 24.8639 -75.7095 36.7841 -14.2273 36.7841 58.1188 GPRESSAVG: 445600 20.5692 24.1393 -14.3582 24.2585 -76.2157 37.8525 -15.2515 35.7577 59.6023 TIMING: 445600 CPU: 1335.62, 0.00303429/step Wall: 1335.62, 0.00303429/step, 3.83871 hours remaining, 208.628906 MB of memory in use. ENERGY: 445600 776.1189 2115.4235 1942.7317 111.8585 -206207.5377 17700.7239 0.0000 0.0000 34279.6599 -149281.0214 299.3728 -183560.6814 -149183.0079 299.2682 -218.8810 -185.8924 558166.8088 1.3071 1.3186 PRESSURE: 445800 14.4371 24.7079 -68.4832 24.708 136.979 54.8635 -68.4833 54.8654 -324.388 GPRESSURE: 445800 93.2625 72.6323 -22.7913 33.2078 148.475 116.241 -60.6706 30.0518 -311.182 PRESSAVG: 445800 43.0144 -38.4846 -28.4159 -38.4846 -58.9508 31.3788 -28.4159 31.3788 0.471711 GPRESSAVG: 445800 43.6725 -35.32 -27.896 -39.2018 -58.985 29.898 -27.4733 31.7798 -0.0451319 TIMING: 445800 CPU: 1336.23, 0.00304136/step Wall: 1336.23, 0.00304136/step, 3.84749 hours remaining, 208.628906 MB of memory in use. ENERGY: 445800 740.4095 2145.2125 1962.8621 112.3573 -206192.4975 17776.9175 0.0000 0.0000 34110.4131 -149344.3255 297.8947 -183454.7386 -149248.1153 299.1178 -57.6570 -23.1481 557386.4470 -5.1549 -5.1192 PRESSURE: 446000 271.287 65.4025 -28.9283 65.4028 120.376 -60.0582 -28.9291 -60.059 42.1676 GPRESSURE: 446000 262.267 71.1277 5.09269 47.6521 184.105 -109.929 -97.7192 -33.3385 85.431 PRESSAVG: 446000 -12.1803 -23.3878 -34.17 -23.3877 -15.04 -10.9641 -34.1701 -10.9641 -19.4794 GPRESSAVG: 446000 -11.6706 -25.5356 -31.5285 -23.8068 -15.3388 -8.63126 -37.1147 -11.588 -19.5601 TIMING: 446000 CPU: 1336.83, 0.00302663/step Wall: 1336.83, 0.00302663/step, 3.82869 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: 446000 686.0430 2143.1054 1948.6153 110.9042 -206311.6343 17958.0839 0.0000 0.0000 34203.8668 -149261.0157 298.7109 -183464.8825 -149161.5918 298.6962 144.6104 177.2678 558545.5672 -15.5665 -15.5232 PRESSURE: 446200 219.856 -110.935 -162.241 -110.936 134.711 -39.0596 -162.241 -39.06 -295.861 GPRESSURE: 446200 247.497 -85.9929 -327.591 -136.081 150.225 -45.9335 -152.501 -31.5754 -239.51 PRESSAVG: 446200 64.7127 18.8246 -44.2574 18.8246 56.0831 -14.2707 -44.2574 -14.2708 -110.214 GPRESSAVG: 446200 63.2542 19.6945 -46.5964 19.9416 56.5633 -14.9888 -43.6928 -13.5797 -110.047 TIMING: 446200 CPU: 1337.44, 0.0030545/step Wall: 1337.44, 0.0030545/step, 3.86378 hours remaining, 208.628906 MB of memory in use. ENERGY: 446200 744.6725 2139.7510 1936.9658 102.3432 -206421.4885 17781.0214 0.0000 0.0000 34368.9179 -149347.8167 300.1523 -183716.7345 -149252.5360 299.2795 19.5687 52.7373 557087.0067 3.5271 3.2569 PRESSURE: 446400 4.38777 -76.0685 102.167 -76.0687 66.3103 94.8681 102.166 94.869 182.193 GPRESSURE: 446400 41.0056 10.085 103.449 -22.3741 98.1364 44.9563 173.511 28.5126 207.88 PRESSAVG: 446400 17.2642 -36.5243 8.03693 -36.5243 19.2133 -12.6859 8.03683 -12.6861 -25.8475 GPRESSAVG: 446400 17.7868 -36.8151 7.3488 -36.6975 17.4438 -13.364 10.4384 -11.9765 -25.9634 TIMING: 446400 CPU: 1338.05, 0.00304797/step Wall: 1338.05, 0.00304797/step, 3.85534 hours remaining, 208.628906 MB of memory in use. ENERGY: 446400 704.1328 2125.2267 1957.7675 110.5464 -206302.5443 17847.9762 0.0000 0.0000 34171.0299 -149385.8647 298.4241 -183556.8946 -149288.4633 298.5976 84.2969 115.6739 557537.8713 3.5433 3.0891 PRESSURE: 446600 43.4344 88.8264 -16.8945 88.8245 206.667 -19.6663 -16.8946 -19.6651 57.5668 GPRESSURE: 446600 90.1608 58.9934 40.6331 62.3919 255.807 -50.1959 -79.5732 -0.342661 64.6708 PRESSAVG: 446600 22.6613 7.29768 40.8695 7.29768 60.9465 -16.9612 40.8695 -16.9611 -53.0566 GPRESSAVG: 446600 22.6495 5.60513 43.3214 7.04511 61.0494 -17.864 39.9424 -16.3515 -53.3415 TIMING: 446600 CPU: 1338.66, 0.00301347/step Wall: 1338.66, 0.00301347/step, 3.81154 hours remaining, 208.628906 MB of memory in use. ENERGY: 446600 740.6766 2114.1878 1956.9390 109.6503 -206440.2632 17931.4521 0.0000 0.0000 34304.9156 -149282.4419 299.5934 -183587.3574 -149178.9569 299.1831 102.5560 136.8796 557208.2688 10.1837 10.1191 PRESSURE: 446800 -122.924 -4.49917 42.4845 -4.49789 -94.8292 -111.547 42.4837 -111.548 65.4126 GPRESSURE: 446800 -96.5983 1.419 20.6681 -20.9588 -60.3431 -79.1851 55.6143 -147.848 111.649 PRESSAVG: 446800 -37.1766 20.9469 21.4397 20.9468 54.2915 -4.62532 21.4397 -4.62525 20.7109 GPRESSAVG: 446800 -37.8868 20.8551 19.2421 20.6964 55.5436 -2.5898 21.3507 -7.74289 20.2029 TIMING: 446800 CPU: 1339.26, 0.00301137/step Wall: 1339.26, 0.00301137/step, 3.80871 hours remaining, 208.628906 MB of memory in use. ENERGY: 446800 735.0981 2113.9981 1958.7492 114.6810 -206340.9084 17817.5303 0.0000 0.0000 34190.1180 -149410.7337 298.5908 -183600.8517 -149318.0013 298.8705 -50.7803 -15.0975 558425.1075 12.6086 12.6199 PRESSURE: 447000 18.8456 -26.7491 62.4336 -26.7487 -160.045 177.917 62.4346 177.918 -266.425 GPRESSURE: 447000 48.3476 -61.746 55.7241 18.107 -73.8783 171.621 83.8261 152.694 -288.841 PRESSAVG: 447000 -29.9362 18.7295 75.309 18.7296 35.7078 -25.4816 75.309 -25.4816 -20.9692 GPRESSAVG: 447000 -28.9609 18.0783 75.2826 19.9265 35.3097 -26.5917 75.1768 -23.309 -20.8838 TIMING: 447000 CPU: 1339.86, 0.00302048/step Wall: 1339.86, 0.00302048/step, 3.82006 hours remaining, 208.628906 MB of memory in use. ENERGY: 447000 767.8769 2081.4196 1946.5716 111.8883 -206008.0110 17575.3342 0.0000 0.0000 34295.6246 -149229.2960 299.5122 -183524.9206 -149130.3271 298.5513 -135.8750 -104.7905 557140.2077 -5.0659 -4.8450 PRESSURE: 447200 23.8964 163.328 -14.9497 163.328 8.99698 -268.283 -14.9482 -268.282 24.802 GPRESSURE: 447200 42.507 254.499 -112.035 99.7992 44.3006 -218.409 16.136 -199.355 88.6472 PRESSAVG: 447200 -67.6043 22.5261 -4.89142 22.5261 -19.6038 -6.81991 -4.8914 -6.8199 45.8101 GPRESSAVG: 447200 -67.0318 23.8299 -4.71016 19.4486 -20.5559 -5.86379 -5.33345 -7.55233 45.331 TIMING: 447200 CPU: 1340.47, 0.00301523/step Wall: 1340.47, 0.00301523/step, 3.81326 hours remaining, 208.628906 MB of memory in use. ENERGY: 447200 765.4991 2063.5517 1951.0541 117.8489 -206207.3346 17725.0890 0.0000 0.0000 34249.8968 -149334.3950 299.1129 -183584.2918 -149235.8103 299.2596 19.2318 58.4850 555753.5937 -13.7994 -14.0856 PRESSURE: 447400 77.1902 19.1795 -42.9234 19.1791 -35.8474 -39.3974 -42.9246 -39.3952 -176.981 GPRESSURE: 447400 112.098 80.6146 -183.207 -10.9709 -13.7589 8.89432 105.266 -90.4673 -137.985 PRESSAVG: 447400 46.1427 7.11626 6.53117 7.11612 -47.732 6.46701 6.53116 6.467 -11.5387 GPRESSAVG: 447400 45.107 7.62027 10.746 8.28385 -48.0457 4.90073 4.65843 6.74186 -10.4767 TIMING: 447400 CPU: 1341.06, 0.00299408/step Wall: 1341.06, 0.00299408/step, 3.78635 hours remaining, 208.628906 MB of memory in use. ENERGY: 447400 793.5673 2137.1184 1925.4169 120.8553 -206575.3705 17904.9386 0.0000 0.0000 34242.0592 -149451.4147 299.0444 -183693.4739 -149354.2289 299.0356 -45.2128 -13.2151 557606.1413 -4.3760 -4.4718 PRESSURE: 447600 -390.065 93.3322 69.3323 93.3317 -254.959 1.01271 69.3339 1.01278 -110.511 GPRESSURE: 447600 -283.851 125.827 107.763 46.1202 -241.698 -21.4784 42.4204 72.0331 -122.79 PRESSAVG: 447600 -82.0772 46.8666 39.6262 46.8666 20.505 -8.25253 39.6263 -8.25258 29.8103 GPRESSAVG: 447600 -81.2047 44.5659 38.7815 49.1825 20.1829 -8.4731 40.4807 -6.20307 28.997 TIMING: 447600 CPU: 1341.66, 0.00299107/step Wall: 1341.66, 0.00299107/step, 3.78237 hours remaining, 208.628906 MB of memory in use. ENERGY: 447600 825.9737 2092.2938 1950.8156 106.8604 -206303.5624 17843.7479 0.0000 0.0000 33995.2566 -149488.6143 296.8890 -183483.8709 -149388.1182 298.2259 -251.8448 -216.1128 559250.2434 -10.5873 -10.6749 PRESSURE: 447800 -196.389 85.08 9.66354 85.079 -7.44145 -175.54 9.66335 -175.542 -266.492 GPRESSURE: 447800 -151.403 2.46656 -63.2968 60.7738 53.6409 -170.169 134.664 -127.277 -272.504 PRESSAVG: 447800 27.4214 8.26543 43.4844 8.26537 9.24802 -13.911 43.4843 -13.911 33.8441 GPRESSAVG: 447800 25.9829 7.18735 39.9885 7.24831 11.2023 -12.9686 45.3019 -13.6977 33.1506 TIMING: 447800 CPU: 1342.27, 0.00301716/step Wall: 1342.27, 0.00301716/step, 3.8152 hours remaining, 208.628906 MB of memory in use. ENERGY: 447800 752.1512 2091.1209 1920.4555 105.7716 -206254.2592 17783.5579 0.0000 0.0000 34158.6707 -149442.5314 298.3162 -183601.2021 -149341.1745 298.7852 -156.7741 -123.4219 558529.0985 23.5045 23.4453 PRESSURE: 448000 1.01244 -142.795 -106.977 -142.796 -217.469 242.889 -106.978 242.887 -194.231 GPRESSURE: 448000 53.1019 -145.065 -171.769 -153.88 -188.752 172.168 -4.90301 229.545 -173.03 PRESSAVG: 448000 4.9763 -9.18302 9.81584 -9.18296 27.5333 41.5874 9.8158 41.5872 49.5288 GPRESSAVG: 448000 5.64565 -7.60403 11.8467 -10.4433 26.2094 41.3904 7.26034 41.0574 50.0299 TIMING: 448000 CPU: 1342.87, 0.00303122/step Wall: 1342.87, 0.00303122/step, 3.83281 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: 448000 778.0804 2038.6252 1904.0959 129.0478 -206643.8625 17950.2671 0.0000 0.0000 34235.1597 -149608.5863 298.9842 -183843.7461 -149503.4034 298.4661 -136.8957 -102.8931 558458.9191 27.3461 27.2950 PRESSURE: 448200 -151.038 -126.462 -98.9947 -126.463 -155.208 -237.226 -98.9945 -237.227 -262.242 GPRESSURE: 448200 -146.545 -137.038 -147.831 -89.3658 -109.883 -278.284 -147.694 -273.824 -222.396 PRESSAVG: 448200 107.263 -17.3369 28.2644 -17.3369 -30.6229 32.6581 28.2644 32.6582 -65.7343 GPRESSAVG: 448200 106.399 -17.1516 27.1019 -17.7876 -29.3058 31.4449 29.843 31.5377 -66.1775 TIMING: 448200 CPU: 1343.48, 0.00303291/step Wall: 1343.48, 0.00303291/step, 3.83477 hours remaining, 208.628906 MB of memory in use. ENERGY: 448200 740.6748 2080.7797 1914.4608 115.5817 -206422.1457 17636.7265 0.0000 0.0000 34258.2943 -149675.6279 299.1862 -183933.9222 -149570.4001 297.5506 -189.4960 -159.6083 557333.5253 3.6352 3.6386 LDB: ============= START OF LOAD BALANCING ============== 1347 LDB: ============== END OF LOAD BALANCING =============== 1347 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1347 LDB: ============= START OF LOAD BALANCING ============== 1347.3 LDB: Largest compute 4800 load 0.030480 is 25.9% of average load 0.117900 LDB: Average compute 0.001719 is 1.5% of average load 0.117900 LDB: TIME 1347.3 LOAD: AVG 0.1179 MAX 0.215505 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.512 MB LDB: TIME 1347.3 LOAD: AVG 0.1179 MAX 0.215505 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.52 MB LDB: TIME 1347.3 LOAD: AVG 0.1179 MAX 0.215505 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.52 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1347.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1347.31 PRESSURE: 448400 -1.03474 44.0664 -88.655 44.0664 -208.414 166.125 -88.6538 166.125 210.338 GPRESSURE: 448400 29.3814 -49.9438 -106.836 134.311 -209.368 114.753 -104.118 83.9674 293.114 PRESSAVG: 448400 84.3215 29.3927 -16.2624 29.3927 -94.7632 12.8144 -16.2624 12.8145 -6.07077 GPRESSAVG: 448400 85.9945 27.8388 -14.9924 30.8258 -97.4419 13.1478 -17.3712 12.1988 -5.11075 TIMING: 448400 CPU: 1344.09, 0.00305146/step Wall: 1344.09, 0.00305146/step, 3.85806 hours remaining, 207.792969 MB of memory in use. ENERGY: 448400 721.7685 2105.1465 1931.2951 121.9376 -206585.3497 17757.0264 0.0000 0.0000 34141.8103 -149806.3654 298.1689 -183948.1757 -149702.5428 298.1300 0.2964 37.7091 556513.9957 -5.5042 -5.5194 PRESSURE: 448600 -141.403 4.56575 29.0421 4.56656 -246.5 12.2696 29.0433 12.2702 -81.4094 GPRESSURE: 448600 -61.541 1.93076 0.919456 -6.62116 -178.915 36.0229 34.964 37.4736 -125.659 PRESSAVG: 448600 23.2759 15.9332 33.0318 15.9333 -31.8048 35.318 33.0318 35.3181 16.3399 GPRESSAVG: 448600 20.9881 15.2969 32.436 15.3434 -29.1677 37.271 32.7175 35.7235 16.2091 TIMING: 448600 CPU: 1344.68, 0.00297627/step Wall: 1344.68, 0.00297627/step, 3.76284 hours remaining, 207.792969 MB of memory in use. ENERGY: 448600 746.3040 2114.5981 1932.9537 109.1136 -206221.3676 17749.8328 0.0000 0.0000 33673.1731 -149895.3924 294.0762 -183568.5655 -149797.4146 297.4487 -156.4374 -122.0383 557113.0453 2.6037 2.6765 PRESSURE: 448800 -144.965 -155.469 188.773 -155.47 72.1094 -7.83377 188.774 -7.83519 -174.041 GPRESSURE: 448800 -140.723 -122.367 116.328 -31.3696 88.5708 -45.6619 168.128 -71.4193 -87.2789 PRESSAVG: 448800 26.8988 -34.719 0.328237 -34.7189 10.1933 27.4711 0.328228 27.4712 18.5285 GPRESSAVG: 448800 27.3517 -31.3827 -1.64599 -33.5863 8.8598 25.6164 0.932815 28.6611 18.9218 TIMING: 448800 CPU: 1345.29, 0.00301012/step Wall: 1345.29, 0.00301012/step, 3.80546 hours remaining, 207.792969 MB of memory in use. ENERGY: 448800 774.4251 2052.6542 1927.5803 127.2154 -206610.2649 17902.4253 0.0000 0.0000 33959.2898 -149866.6747 296.5749 -183825.9645 -149762.8637 297.0121 -82.2990 -46.4772 557581.2923 18.5402 18.3778 PRESSURE: 449000 -223.747 -6.18834 20.684 -6.18773 32.7778 137.496 20.684 137.497 17.0447 GPRESSURE: 449000 -146.153 -55.4964 10.8083 -46.8361 25.622 188.83 -16.6594 83.8894 50.0371 PRESSAVG: 449000 -1.25769 3.25109 40.8019 3.25107 -2.48298 47.2712 40.8019 47.2712 39.0526 GPRESSAVG: 449000 -1.05338 3.34464 42.8046 2.50156 -1.54233 47.2491 41.7915 46.7876 38.7944 TIMING: 449000 CPU: 1345.89, 0.00304221/step Wall: 1345.89, 0.00304221/step, 3.84586 hours remaining, 207.792969 MB of memory in use. ENERGY: 449000 735.8219 2083.4128 1931.2254 118.3711 -206236.2512 17804.6075 0.0000 0.0000 33936.7450 -149626.0674 296.3780 -183562.8123 -149523.2816 297.3602 -57.9750 -23.4981 557171.0307 11.7707 12.0662 PRESSURE: 449200 74.6936 -42.9456 87.6963 -42.9452 -160.23 56.9696 87.6969 56.9689 -88.5238 GPRESSURE: 449200 76.6738 -110.568 41.8948 -73.8715 -64.6352 50.7791 104.555 79.9608 -87.0966 PRESSAVG: 449200 -24.9849 -4.65923 7.63263 -4.6592 14.4858 -16.5753 7.63255 -16.5754 15.957 GPRESSAVG: 449200 -24.3011 -9.54694 8.71302 -1.33293 13.8097 -16.7069 6.83999 -16.6443 15.631 TIMING: 449200 CPU: 1346.51, 0.00306252/step Wall: 1346.51, 0.00306252/step, 3.87137 hours remaining, 207.792969 MB of memory in use. ENERGY: 449200 764.6928 2092.9771 1932.6413 111.1434 -206819.0868 17980.6894 0.0000 0.0000 34357.9388 -149579.0039 300.0564 -183936.9427 -149485.0043 297.7952 -58.0202 -25.0194 557302.1271 1.8193 1.7132 PRESSURE: 449400 -121.457 -100.314 13.7812 -100.312 -44.9242 165.647 13.7822 165.647 146.634 GPRESSURE: 449400 -85.8322 -85.0235 48.9879 -106.624 47.8532 159.181 21.9485 121.999 114.156 PRESSAVG: 449400 -88.5233 2.04422 8.67144 2.04421 15.6409 35.4505 8.67138 35.4506 72.3546 GPRESSAVG: 449400 -88.6018 6.28466 7.69907 -2.3265 15.7903 35.9644 9.65475 36.0902 72.8142 TIMING: 449400 CPU: 1347.11, 0.00302192/step Wall: 1347.11, 0.00302192/step, 3.81988 hours remaining, 207.792969 MB of memory in use. ENERGY: 449400 758.1759 2090.2439 1958.7271 127.4171 -206701.6695 17913.1121 0.0000 0.0000 34176.6648 -149677.3285 298.4733 -183853.9933 -149579.9603 298.3674 -6.5823 25.3922 557311.1788 -0.1759 0.0009 PRESSURE: 449600 136.441 -25.7513 32.1503 -25.7521 -158.508 -125.995 32.1503 -125.997 -11.0408 GPRESSURE: 449600 187.2 2.75146 47.063 -27.7976 -143.193 -104.867 -7.90761 -179.184 23.9929 PRESSAVG: 449600 -24.7877 -33.8543 -6.66059 -33.8544 -38.8382 -1.73961 -6.66055 -1.73962 105.137 GPRESSAVG: 449600 -23.7459 -34.2523 -5.93432 -34.5289 -38.4856 -1.24635 -6.40723 -4.38542 103.641 TIMING: 449600 CPU: 1347.71, 0.00299389/step Wall: 1347.71, 0.00299389/step, 3.78428 hours remaining, 207.792969 MB of memory in use. ENERGY: 449600 729.9187 2114.6499 1925.9209 116.6187 -206582.6566 17845.0530 0.0000 0.0000 34154.7704 -149695.7251 298.2821 -183850.4954 -149597.1680 298.0258 -11.0360 22.6665 556920.6241 13.8370 13.8032 PRESSURE: 449800 -49.0734 152.373 34.6821 152.373 -22.1085 112.373 34.6823 112.372 -202.331 GPRESSURE: 449800 41.0109 57.9268 39.1079 215.313 -21.244 138.676 114.005 92.6113 -198.528 PRESSAVG: 449800 -17.3236 -0.0968727 6.43886 -0.0968893 -38.1445 12.76 6.43894 12.7598 53.1103 GPRESSAVG: 449800 -17.7658 -1.97873 7.44385 3.03536 -38.6912 10.9691 4.73436 14.0402 54.0797 TIMING: 449800 CPU: 1348.31, 0.00298748/step Wall: 1348.31, 0.00298748/step, 3.77601 hours remaining, 207.792969 MB of memory in use. ENERGY: 449800 783.9840 2079.1726 1964.0897 127.1702 -206520.2003 17774.0095 0.0000 0.0000 33983.4236 -149808.3507 296.7857 -183791.7743 -149710.5224 296.8379 -91.1709 -59.5870 556757.8552 -0.7859 -0.7924 PRESSURE: 450000 -204.537 -63.0891 -44.8097 -63.0888 -238.327 108.088 -44.8091 108.089 -165.165 GPRESSURE: 450000 -150.521 -19.0995 -104.254 -185.394 -219.311 40.3735 -14.2663 39.9841 -142.258 PRESSAVG: 450000 18.1369 -11.2139 19.1704 -11.2139 38.5762 44.1774 19.1705 44.1774 -53.7821 GPRESSAVG: 450000 16.6096 -10.4744 17.5079 -13.518 39.126 44.0815 20.9678 44.2353 -53.0322 TIMING: 450000 CPU: 1348.9, 0.00298003/step Wall: 1348.9, 0.00298003/step, 3.76643 hours remaining, 207.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 450000 751.4350 2073.9427 1925.8722 131.0853 -206259.6580 17572.5715 0.0000 0.0000 34136.6500 -149668.1013 298.1239 -183804.7514 -149573.6318 297.3936 -202.6766 -170.6967 556779.0515 0.9770 0.9011 PRESSURE: 450200 -39.8788 -64.4746 48.1421 -64.4744 19.2043 -73.2077 48.1418 -73.2088 21.4498 GPRESSURE: 450200 -19.4218 -119.679 76.2069 -54.5567 23.8966 -140.289 26.2499 -6.33992 83.5615 PRESSAVG: 450200 -79.78 -15.5109 35.5157 -15.5108 -34.6465 -30.0952 35.5157 -30.0951 62.0276 GPRESSAVG: 450200 -79.5358 -15.0834 36.7617 -13.9667 -33.9993 -29.8779 33.5107 -28.6195 61.431 TIMING: 450200 CPU: 1349.5, 0.00298791/step Wall: 1349.5, 0.00298791/step, 3.77622 hours remaining, 207.792969 MB of memory in use. ENERGY: 450200 724.7252 2085.1229 1937.9576 109.4649 -206344.3576 17874.4113 0.0000 0.0000 33923.7761 -149688.8997 296.2648 -183612.6758 -149591.2706 298.3962 0.2584 29.3454 557403.6462 -17.4663 -17.3680 PRESSURE: 450400 81.4408 129.173 -193.568 129.172 157.454 -221.277 -193.569 -221.277 323.97 GPRESSURE: 450400 100.876 240.206 -241.642 45.1245 228.726 -149.348 -122.894 -271.225 346.769 PRESSAVG: 450400 4.9395 -18.637 -45.9314 -18.637 4.37821 21.6548 -45.9314 21.6548 42.8987 GPRESSAVG: 450400 5.69321 -18.5626 -47.9218 -18.7391 3.87005 20.0469 -44.7745 23.904 42.8297 TIMING: 450400 CPU: 1350.1, 0.002981/step Wall: 1350.1, 0.002981/step, 3.76732 hours remaining, 207.792969 MB of memory in use. ENERGY: 450400 741.3649 2033.6814 1956.9313 119.3263 -206986.5555 18363.6506 0.0000 0.0000 33926.1213 -149845.4797 296.2853 -183771.6010 -149748.2887 297.8325 187.6217 225.4569 555538.6362 17.4055 17.4643 PRESSURE: 450600 51.973 138.072 -82.8353 138.072 179.759 40.6515 -82.8362 40.6529 112.668 GPRESSURE: 450600 110.123 146.036 -51.4065 89.7546 199.949 17.5837 -152.839 118.604 131.949 PRESSAVG: 450600 -22.905 3.57461 -32.483 3.57461 -21.566 23.5406 -32.483 23.5406 70.8264 GPRESSAVG: 450600 -22.6801 3.20415 -31.2943 2.73349 -22.0731 24.5289 -33.2577 20.5472 70.5204 TIMING: 450600 CPU: 1350.7, 0.00299301/step Wall: 1350.7, 0.00299301/step, 3.78233 hours remaining, 207.792969 MB of memory in use. ENERGY: 450600 735.1971 2084.3654 1935.5695 110.6637 -207001.3777 18224.0693 0.0000 0.0000 33986.9056 -149924.6070 296.8161 -183911.5127 -149837.5137 297.6981 114.7999 147.3406 556779.6832 8.7851 8.5890 PRESSURE: 450800 -210.163 -62.2933 -57.5782 -62.2934 -67.1213 -197.921 -57.5792 -197.921 -97.6574 GPRESSURE: 450800 -197.064 11.225 -93.0685 -170.433 -61.5438 -174.064 -99.2714 -176.175 -16.5067 PRESSAVG: 450800 -3.92677 -77.7834 -40.7983 -77.7836 -7.65658 12.3833 -40.7983 12.3833 2.43177 GPRESSAVG: 450800 -5.22327 -79.0757 -42.4354 -78.9826 -7.65645 13.8679 -39.8342 13.0318 3.49103 TIMING: 450800 CPU: 1351.29, 0.00298644/step Wall: 1351.29, 0.00298644/step, 3.77386 hours remaining, 207.792969 MB of memory in use. ENERGY: 450800 784.4472 2064.3956 1903.1378 111.0884 -207040.5601 18020.7691 0.0000 0.0000 34064.9074 -150091.8146 297.4973 -184156.7220 -149999.4212 296.8289 -124.9806 -91.7050 557651.3276 -3.0505 -3.1296 PRESSURE: 451000 2.22629 -36.2779 -103.423 -36.2787 -150.862 -64.8776 -103.424 -64.8786 -66.3101 GPRESSURE: 451000 41.498 -22.432 -157.381 -97.322 -71.2868 -127.965 -29.0914 -19.1401 -80.9365 PRESSAVG: 451000 -6.83207 10.8297 15.8218 10.8297 -21.9232 13.1513 15.8218 13.1512 5.7768 GPRESSAVG: 451000 -7.1071 12.4791 18.5205 12.7935 -21.1631 9.95534 13.0658 13.5296 5.11458 TIMING: 451000 CPU: 1351.9, 0.00302051/step Wall: 1351.9, 0.00302051/step, 3.81675 hours remaining, 207.792969 MB of memory in use. ENERGY: 451000 764.1191 2052.0467 1942.2717 113.1528 -207010.8500 18016.2113 0.0000 0.0000 34044.4633 -150078.5850 297.3188 -184123.0483 -149985.2345 297.2208 -71.6486 -36.9084 555810.7999 -7.6595 -7.7185 PRESSURE: 451200 -105.996 -89.315 253.13 -89.3145 -183.488 171.654 253.13 171.654 38.3909 GPRESSURE: 451200 -137.48 -103.101 211.928 -111.7 -118.797 101.938 220.535 128.674 98.653 PRESSAVG: 451200 0.549566 0.500417 40.4878 0.500451 37.1799 16.1161 40.4877 16.116 4.54666 GPRESSAVG: 451200 0.645009 -1.08896 39.6502 -0.871681 36.0216 17.4409 43.7151 15.1433 4.7751 TIMING: 451200 CPU: 1352.5, 0.00300691/step Wall: 1352.5, 0.00300691/step, 3.7994 hours remaining, 207.792969 MB of memory in use. ENERGY: 451200 739.2294 2105.2128 1935.5293 107.7890 -206645.7309 17742.8416 0.0000 0.0000 34218.7030 -149796.4258 298.8404 -184015.1288 -149711.6650 297.2662 -83.6977 -52.5416 556628.4229 14.0920 13.8139 PRESSURE: 451400 -44.1162 76.4048 241.583 76.4046 134.963 66.5885 241.583 66.5898 73.345 GPRESSURE: 451400 24.7725 55.5374 211.51 101.386 80.3323 132.934 262.415 65.7187 137.924 PRESSAVG: 451400 -2.84334 31.9383 66.125 31.9384 13.8396 59.8361 66.1251 59.8361 16.6893 GPRESSAVG: 451400 -1.82742 34.5608 65.7165 30.7485 13.2438 59.7347 64.8462 60.8998 15.8231 TIMING: 451400 CPU: 1353.1, 0.00301531/step Wall: 1353.1, 0.00301531/step, 3.80984 hours remaining, 207.792969 MB of memory in use. ENERGY: 451400 729.5156 2127.1309 1962.1697 116.3879 -206577.4654 18006.0427 0.0000 0.0000 33985.3789 -149650.8397 296.8028 -183636.2187 -149558.2221 298.0218 54.7304 81.0097 558665.0019 9.2285 9.0798 PRESSURE: 451600 -30.0766 29.5079 312.636 29.5076 112.715 -88.3105 312.637 -88.3093 23.3029 GPRESSURE: 451600 -27.3103 -38.3199 356.877 109.999 187.658 -9.59403 290.08 -194.522 51.4386 PRESSAVG: 451600 30.3574 57.0216 12.9779 57.0216 -31.7447 -14.9449 12.9779 -14.945 16.7949 GPRESSAVG: 451600 29.0181 57.1523 11.6918 58.2502 -31.408 -16.0553 15.2174 -16.29 18.0609 TIMING: 451600 CPU: 1353.71, 0.00302847/step Wall: 1353.71, 0.00302847/step, 3.8263 hours remaining, 207.792969 MB of memory in use. ENERGY: 451600 710.8746 2099.7546 1953.0508 104.9668 -206520.8324 18016.5902 0.0000 0.0000 33974.8570 -149660.7384 296.7109 -183635.5954 -149563.3645 297.4475 35.3139 70.5955 557266.6707 5.1358 5.2237 PRESSURE: 451800 183.761 146.856 -187.261 146.855 -134.116 -28.5784 -187.26 -28.5765 228.454 GPRESSURE: 451800 185.069 47.5648 -163.45 168.168 -57.8026 -52.9855 -140.904 9.07883 260.584 PRESSAVG: 451800 32.5278 -14.565 33.2305 -14.565 27.8367 -10.1575 33.2305 -10.1576 -40.3976 GPRESSAVG: 451800 33.3942 -15.7532 35.5159 -14.2326 28.365 -9.32929 31.4362 -10.1121 -41.1307 TIMING: 451800 CPU: 1354.31, 0.0030168/step Wall: 1354.31, 0.0030168/step, 3.81139 hours remaining, 207.792969 MB of memory in use. ENERGY: 451800 723.9484 2060.0085 1954.8841 110.0326 -206611.0568 17946.8584 0.0000 0.0000 34274.4721 -149540.8527 299.3275 -183815.3248 -149441.4017 297.9141 92.6997 129.2835 556131.3330 6.6556 6.8762 PRESSURE: 452000 -128.263 -15.1105 3.86225 -15.1102 80.3413 -183.984 3.86071 -183.985 -114.54 GPRESSURE: 452000 -107.305 24.7823 -57.4988 -16.3085 70.4118 -150.667 101.106 -134.337 -37.3674 PRESSAVG: 452000 17.5849 21.102 37.2612 21.1019 -42.1766 -69.5021 37.2611 -69.5021 31.0906 GPRESSAVG: 452000 17.031 22.0209 36.4862 21.0213 -42.44 -69.4884 37.9422 -68.3069 31.6662 TIMING: 452000 CPU: 1354.91, 0.00301576/step Wall: 1354.91, 0.00301576/step, 3.80991 hours remaining, 207.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 452000 723.3856 2074.5770 1940.9133 98.4666 -206242.4671 17725.3112 0.0000 0.0000 34036.5171 -149643.2963 297.2494 -183679.8134 -149548.0174 298.0737 -54.1540 -24.7534 557505.1969 2.1663 2.0857 PRESSURE: 452200 30.5864 198.052 -92.3935 198.052 30.6575 35.828 -92.3923 35.8286 14.8306 GPRESSURE: 452200 74.2521 158.858 7.766 171.355 25.3734 83.9258 -137.893 72.6411 58.482 PRESSAVG: 452200 13.145 29.7396 66.6208 29.7397 -41.1893 -8.90762 66.6208 -8.90755 35.3058 GPRESSAVG: 452200 12.9779 26.9899 66.9456 32.1564 -39.166 -7.46506 65.4469 -10.3113 34.2847 TIMING: 452200 CPU: 1355.52, 0.00302955/step Wall: 1355.52, 0.00302955/step, 3.82716 hours remaining, 207.792969 MB of memory in use. ENERGY: 452200 710.8284 2053.7290 1943.1286 116.0689 -205968.9131 17654.0443 0.0000 0.0000 34012.7413 -149478.3725 297.0417 -183491.1138 -149380.7819 298.2614 25.3582 52.7025 556693.3385 2.4205 2.6989 LDB: ============= START OF LOAD BALANCING ============== 1359.04 LDB: ============== END OF LOAD BALANCING =============== 1359.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1359.04 LDB: ============= START OF LOAD BALANCING ============== 1359.35 LDB: Largest compute 4800 load 0.031526 is 26.7% of average load 0.117917 LDB: Average compute 0.001714 is 1.5% of average load 0.117917 LDB: TIME 1359.35 LOAD: AVG 0.117917 MAX 0.214663 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.645 MB LDB: TIME 1359.35 LOAD: AVG 0.117917 MAX 0.214663 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.652 MB LDB: TIME 1359.35 LOAD: AVG 0.117917 MAX 0.214663 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.652 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1359.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1359.36 PRESSURE: 452400 -40.066 11.773 -93.4255 11.7727 -156.751 -76.5683 -93.4251 -76.5687 -232.833 GPRESSURE: 452400 14.1711 12.12 -68.7456 100.151 -146.207 -146.667 -99.0088 -33.3264 -199.05 PRESSAVG: 452400 0.209874 26.2274 61.4067 26.2275 -9.93573 -28.4305 61.4067 -28.4303 72.2724 GPRESSAVG: 452400 1.59793 28.4048 61.0304 24.4337 -12.2592 -29.3164 61.963 -25.8664 72.9722 TIMING: 452400 CPU: 1356.14, 0.00310124/step Wall: 1356.14, 0.00310124/step, 3.91755 hours remaining, 207.398438 MB of memory in use. ENERGY: 452400 709.4432 2111.3498 1942.2397 102.7379 -206216.0945 17606.4052 0.0000 0.0000 34200.3160 -149543.6027 298.6799 -183743.9187 -149450.8791 298.0865 -143.2167 -110.3622 558525.4001 20.8488 20.7703 PRESSURE: 452600 -66.3019 216.44 -206.845 216.44 -306.817 123.123 -206.846 123.124 241.571 GPRESSURE: 452600 -28.1028 144.679 -146.563 210.146 -306.475 67.4179 -265.405 105.548 292.31 PRESSAVG: 452600 -35.4784 -0.180855 46.4844 -0.180879 14.538 -41.1633 46.4843 -41.1632 28.6905 GPRESSAVG: 452600 -35.9654 -1.51266 47.6551 0.95331 14.8893 -40.535 45.088 -41.4104 28.5708 TIMING: 452600 CPU: 1356.74, 0.00299684/step Wall: 1356.74, 0.00299684/step, 3.78551 hours remaining, 207.398438 MB of memory in use. ENERGY: 452600 745.6734 2022.8350 1933.2270 117.9834 -206213.0982 17732.6544 0.0000 0.0000 33947.7054 -149713.0195 296.4738 -183660.7249 -149615.2721 297.9614 -43.8492 -14.0890 557009.2545 2.5834 2.4982 PRESSURE: 452800 -317.362 -8.37743 -64.5674 -8.37647 35.4274 25.233 -64.5683 25.2324 -133.841 GPRESSURE: 452800 -250.811 56.7932 43.8876 -1.23318 36.7196 21.5571 -2.19181 85.1908 -92.3705 PRESSAVG: 452800 -11.4071 11.8104 41.6172 11.8104 -92.4085 -10.3343 41.6173 -10.3343 98.99 GPRESSAVG: 452800 -10.779 12.7318 40.9384 12.0792 -92.253 -10.5339 42.3858 -10.8311 98.573 TIMING: 452800 CPU: 1357.35, 0.00304122/step Wall: 1357.35, 0.00304122/step, 3.84139 hours remaining, 207.398438 MB of memory in use. ENERGY: 452800 723.4078 1987.8198 1933.0289 104.2805 -206496.1982 17812.2790 0.0000 0.0000 34191.0841 -149744.2980 298.5992 -183935.3821 -149652.0936 297.5040 -138.5918 -102.1539 557409.0539 -1.6085 -1.4863 PRESSURE: 453000 -129.652 -23.4719 4.18823 -23.4706 169.58 -115.335 4.18723 -115.334 200.12 GPRESSURE: 453000 -72.0894 -103.077 -49.6555 25.0776 225.936 -77.2924 16.6333 -60.6096 192.342 PRESSAVG: 453000 -55.0162 -30.8983 43.4496 -30.8984 -9.8156 -26.1786 43.4496 -26.1785 92.4176 GPRESSAVG: 453000 -55.1722 -32.3711 43.2045 -29.9571 -10.172 -25.836 45.3865 -25.8443 93.2755 TIMING: 453000 CPU: 1357.95, 0.00303144/step Wall: 1357.95, 0.00303144/step, 3.82888 hours remaining, 207.398438 MB of memory in use. ENERGY: 453000 726.8645 2032.8649 1935.4725 112.6430 -206403.4076 17859.0553 0.0000 0.0000 34060.2138 -149676.2936 297.4563 -183736.5074 -149584.9066 298.0297 80.0160 115.3964 556221.0210 9.1952 9.3104 PRESSURE: 453200 122.502 9.26528 -169.986 9.26565 325.327 -119.72 -169.987 -119.721 181.772 GPRESSURE: 453200 139.155 26.3525 -145.973 -57.2113 354.373 -53.497 -186.426 -145.646 224.058 PRESSAVG: 453200 -70.2492 -26.2365 25.1896 -26.2363 8.23593 -6.81923 25.1896 -6.81922 55.3666 GPRESSAVG: 453200 -70.3238 -24.5132 26.6713 -28.2988 7.3134 -4.92632 22.7703 -8.44183 56.3752 TIMING: 453200 CPU: 1358.55, 0.00299837/step Wall: 1358.55, 0.00299837/step, 3.78694 hours remaining, 207.398438 MB of memory in use. ENERGY: 453200 760.7199 2099.9950 1946.8319 129.2689 -206570.0177 18096.5868 0.0000 0.0000 34037.5816 -149499.0336 297.2587 -183536.6152 -149410.9662 298.1143 209.8670 239.1956 555322.1573 -2.2156 -2.2117 PRESSURE: 453400 9.62073 -0.103297 -71.36 -0.103405 111.253 -126.213 -71.3602 -126.214 -148.604 GPRESSURE: 453400 16.031 -72.694 -58.7556 70.0848 181.848 -205.247 -17.1829 -36.4672 -134.444 PRESSAVG: 453400 -45.7539 59.3151 13.5997 59.3152 12.3623 -33.3589 13.5997 -33.359 20.8869 GPRESSAVG: 453400 -46.3155 57.8902 11.6338 61.1522 13.4163 -36.8326 13.5567 -31.4288 20.0959 TIMING: 453400 CPU: 1359.16, 0.00302092/step Wall: 1359.16, 0.00302092/step, 3.81525 hours remaining, 207.398438 MB of memory in use. ENERGY: 453400 705.8505 2058.1212 1921.2218 109.9658 -206251.3943 17775.7313 0.0000 0.0000 34366.6038 -149313.8999 300.1321 -183680.5037 -149218.0672 298.5307 -9.2434 21.1450 556974.0808 -4.1682 -4.2678 PRESSURE: 453600 -220.694 3.73559 -9.04066 3.73495 -95.6155 -134.886 -9.04153 -134.884 247.546 GPRESSURE: 453600 -133.274 -28.9066 -14.2068 75.3154 -107.008 -208.151 19.7476 -121.398 268.591 PRESSAVG: 453600 -28.1098 36.4074 -5.93824 36.4073 19.7833 -35.613 -5.93826 -35.6131 23.3963 GPRESSAVG: 453600 -28.3426 38.6976 -6.45707 35.0645 19.9347 -35.2439 -2.12805 -34.8679 23.3475 TIMING: 453600 CPU: 1359.77, 0.00303956/step Wall: 1359.77, 0.00303956/step, 3.83863 hours remaining, 207.398438 MB of memory in use. ENERGY: 453600 754.7141 2065.9291 1948.6380 100.9985 -206096.8385 17800.8187 0.0000 0.0000 33999.8005 -149425.9396 296.9287 -183425.7401 -149328.8963 298.9028 -22.9212 9.4363 558324.7890 5.0233 4.9799 PRESSURE: 453800 -14.5982 9.46697 68.9811 9.46708 175.756 -72.3836 68.9801 -72.3819 -217.645 GPRESSURE: 453800 17.51 -60.178 -4.41922 34.6536 198.887 -102.762 56.0134 -72.8933 -168.237 PRESSAVG: 453800 -18.8746 -43.5724 -27.0817 -43.5724 8.03305 -5.39759 -27.0817 -5.39746 -6.01873 GPRESSAVG: 453800 -18.0447 -45.7011 -26.5931 -43.2334 8.93776 -4.76066 -29.288 -7.27064 -6.55112 TIMING: 453800 CPU: 1360.37, 0.00303291/step Wall: 1360.37, 0.00303291/step, 3.83006 hours remaining, 207.398438 MB of memory in use. ENERGY: 453800 723.6663 2057.9943 1936.3607 111.2606 -206409.0795 17788.2383 0.0000 0.0000 34319.6416 -149471.9178 299.7220 -183791.5594 -149378.0477 298.1006 -18.8289 16.0534 556443.7831 -5.6201 -5.2194 PRESSURE: 454000 -60.7102 108.094 108.506 108.095 -7.46244 -107.473 108.506 -107.474 131.598 GPRESSURE: 454000 -5.65748 169.368 183.052 220.307 36.794 -89.7175 168.203 -195.561 125.199 PRESSAVG: 454000 2.81372 -3.75123 -21.2444 -3.75119 41.451 24.7833 -21.2445 24.7834 -56.4744 GPRESSAVG: 454000 2.29351 -2.87914 -19.1424 -3.13151 40.795 23.5701 -23.5254 27.0857 -55.0782 TIMING: 454000 CPU: 1360.98, 0.00301709/step Wall: 1360.98, 0.00301709/step, 3.80992 hours remaining, 207.398438 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: 454000 712.0158 2037.5090 1961.5836 113.6985 -206279.6655 17865.0812 0.0000 0.0000 34210.5021 -149379.2753 298.7688 -183589.7774 -149276.4465 298.5052 21.1419 52.1119 556861.0058 -4.0699 -3.9966 PRESSURE: 454200 -210.991 93.7411 85.1826 93.7413 5.98795 -58.637 85.1835 -58.6372 -164.351 GPRESSURE: 454200 -189.057 71.8735 81.4323 62.9883 6.90446 -179.708 6.5787 0.441527 -92.0482 PRESSAVG: 454200 45.4814 -8.54206 14.7359 -8.54203 -26.8091 -0.342945 14.7358 -0.342988 -32.0333 GPRESSAVG: 454200 44.9169 -8.90952 13.9599 -9.34965 -26.6271 -1.73925 16.9102 -0.372413 -31.3509 TIMING: 454200 CPU: 1361.58, 0.00304172/step Wall: 1361.58, 0.00304172/step, 3.84085 hours remaining, 207.398438 MB of memory in use. ENERGY: 454200 760.2463 2058.6822 1922.7264 108.7264 -205795.3577 17583.2118 0.0000 0.0000 34161.5870 -149200.1777 298.3416 -183361.7647 -149109.4756 298.8602 -123.1182 -91.4004 558529.9712 -4.4536 -4.3537 PRESSURE: 454400 187.234 -17.4294 -44.681 -17.4292 -76.5527 -57.963 -44.6807 -57.9616 -13.1912 GPRESSURE: 454400 191.879 18.9089 -14.1352 -41.838 -5.58905 -40.3546 -57.2845 -86.3131 18.8604 PRESSAVG: 454400 2.82625 -16.6694 41.5508 -16.6694 -0.13912 -14.1153 41.5508 -14.1153 41.7055 GPRESSAVG: 454400 2.50395 -14.685 41.4015 -18.9925 0.628843 -8.89813 41.2031 -16.1368 41.2324 TIMING: 454400 CPU: 1362.18, 0.00300055/step Wall: 1362.18, 0.00300055/step, 3.78869 hours remaining, 207.398438 MB of memory in use. ENERGY: 454400 729.1144 2012.9700 1939.3622 113.2448 -205867.6613 17711.3058 0.0000 0.0000 34327.1387 -149034.5253 299.7874 -183361.6641 -148942.1325 299.4248 32.4966 68.3835 557348.1917 14.7975 14.7884 PRESSURE: 454600 -123.577 0.601807 -39.509 0.600278 83.6985 -20.4252 -39.51 -20.4253 25.9215 GPRESSURE: 454600 -146.166 -24.7599 -50.926 80.4656 101.958 2.19624 -28.9764 2.9618 106.168 PRESSAVG: 454600 22.5015 -13.0761 -59.0724 -13.0761 -15.5376 -38.438 -59.0723 -38.438 3.15547 GPRESSAVG: 454600 22.5593 -15.5559 -60.554 -10.5843 -15.4158 -40.6344 -55.8967 -37.5828 3.0498 TIMING: 454600 CPU: 1362.78, 0.00300178/step Wall: 1362.78, 0.00300178/step, 3.79008 hours remaining, 207.398438 MB of memory in use. ENERGY: 454600 729.5044 2117.0069 1926.7008 106.0718 -205759.8225 17534.6004 0.0000 0.0000 34389.5219 -148956.4163 300.3322 -183345.9381 -148864.3143 300.2753 -4.6522 20.6534 558222.6288 3.3731 3.3978 PRESSURE: 454800 175.897 -52.05 -12.8808 -52.0508 208.767 -8.85789 -12.8819 -8.85828 287.756 GPRESSURE: 454800 238.612 29.1525 -44.0474 -72.4734 195.882 13.8134 55.3727 40.4404 350.909 PRESSAVG: 454800 15.9953 2.1181 -15.4498 2.11799 -56.9626 -11.097 -15.4499 -11.097 49.134 GPRESSAVG: 454800 17.2915 2.56471 -15.8692 4.51187 -58.37 -10.383 -15.8033 -11.5106 49.5716 TIMING: 454800 CPU: 1363.38, 0.00299736/step Wall: 1363.38, 0.00299736/step, 3.78433 hours remaining, 207.398438 MB of memory in use. ENERGY: 454800 741.8166 2045.7288 1952.9384 104.7393 -206343.4851 18003.7162 0.0000 0.0000 34447.6618 -149046.8840 300.8400 -183494.5458 -148949.2642 299.6392 224.1398 261.8008 555226.2587 2.7222 2.8310 PRESSURE: 455000 -79.6519 77.1355 -55.4857 77.135 -190.124 10.3412 -55.4843 10.3411 12.9282 GPRESSURE: 455000 -27.6185 88.9285 -9.96759 81.6059 -102.73 123.217 37.0345 -71.4871 -16.6265 PRESSAVG: 455000 -17.6677 4.14091 -20.9393 4.14092 23.4988 33.6087 -20.9394 33.6086 6.02164 GPRESSAVG: 455000 -18.3494 6.76557 -19.7753 -0.778454 24.6451 33.2734 -21.3427 32.4319 5.66585 TIMING: 455000 CPU: 1363.99, 0.00300534/step Wall: 1363.99, 0.00300534/step, 3.79424 hours remaining, 207.398438 MB of memory in use. ENERGY: 455000 732.7148 2067.1237 1943.8850 114.9686 -205837.7219 17559.4915 0.0000 0.0000 34484.0535 -148935.4848 301.1578 -183419.5383 -148845.4816 299.8451 -85.6158 -48.9918 557147.8750 3.9509 3.9872 PRESSURE: 455200 -121.55 -4.28046 117.573 -4.27921 -246.154 30.6859 117.573 30.6868 -187.427 GPRESSURE: 455200 -121.647 53.0339 88.2948 -76.1818 -160.025 26.3609 66.5043 114.355 -180.135 PRESSAVG: 455200 20.541 -39.5903 43.7944 -39.5904 78.6385 35.0459 43.7945 35.046 -34.9101 GPRESSAVG: 455200 20.7207 -43.0927 42.6341 -35.8204 78.3722 36.1313 43.4242 34.6678 -35.0571 TIMING: 455200 CPU: 1364.59, 0.00300538/step Wall: 1364.59, 0.00300538/step, 3.79413 hours remaining, 207.398438 MB of memory in use. ENERGY: 455200 756.7507 2080.6255 1948.7610 124.1683 -205202.8496 17363.6474 0.0000 0.0000 34132.7652 -148796.1316 298.0899 -182928.8968 -148704.4113 300.4715 -185.0436 -153.9358 558938.1679 21.4231 21.3453 PRESSURE: 455400 73.8061 44.3052 52.2185 44.3044 138.473 -130.264 52.2187 -130.263 83.8227 GPRESSURE: 455400 142.814 5.76591 23.8989 48.4582 194.452 -183.67 112.6 -117.224 64.6017 PRESSAVG: 455400 -2.74184 33.402 16.931 33.4021 70.8928 -30.3494 16.931 -30.3495 -11.0248 GPRESSAVG: 455400 -2.28598 34.608 19.1799 30.9948 70.9272 -31.1059 15.825 -29.399 -11.5348 TIMING: 455400 CPU: 1365.19, 0.00302009/step Wall: 1365.19, 0.00302009/step, 3.81252 hours remaining, 207.398438 MB of memory in use. ENERGY: 455400 727.1786 2053.4976 1964.1820 108.2572 -206129.5412 17951.9159 0.0000 0.0000 34449.3730 -148875.1369 300.8549 -183324.5099 -148781.2874 300.0382 98.7007 133.9560 558720.0629 19.0420 19.0355 PRESSURE: 455600 255.621 -13.2629 89.0632 -13.2634 -19.2803 114.994 89.0641 114.994 44.2624 GPRESSURE: 455600 279.503 -106.529 2.77609 87.8797 42.5622 197.746 97.389 101.396 58.1931 PRESSAVG: 455600 62.2956 -21.4319 51.9912 -21.432 0.644266 63.785 51.9913 63.785 -62.6595 GPRESSAVG: 455600 62.9023 -20.6291 51.4366 -21.5603 -0.0992671 64.4201 51.022 62.6875 -62.5408 TIMING: 455600 CPU: 1365.79, 0.00302257/step Wall: 1365.79, 0.00302257/step, 3.8155 hours remaining, 207.398438 MB of memory in use. ENERGY: 455600 733.5699 2099.0016 1910.9471 127.9933 -205933.9901 17865.8867 0.0000 0.0000 34325.8013 -148870.7903 299.7758 -183196.5916 -148771.3113 300.0169 93.5344 126.7529 558374.1343 0.0934 0.0874 PRESSURE: 455800 300.132 -151.176 -84.6772 -151.176 91.6541 -1.20178 -84.6777 -1.20305 125.122 GPRESSURE: 455800 359.345 -152.32 -107.38 -137.52 64.6831 -47.9205 -30.3341 -54.8282 184.586 PRESSAVG: 455800 22.7283 -38.7087 5.07783 -38.7087 56.0403 20.9789 5.07786 20.9789 -39.5752 GPRESSAVG: 455800 21.6919 -38.8546 4.6113 -38.3685 55.8427 18.2923 7.54559 21.9355 -38.543 TIMING: 455800 CPU: 1366.4, 0.00303599/step Wall: 1366.4, 0.00303599/step, 3.83226 hours remaining, 207.398438 MB of memory in use. ENERGY: 455800 735.2289 2075.4746 1922.7175 122.4432 -206213.4849 18166.1350 0.0000 0.0000 34273.9664 -148917.5192 299.3231 -183191.4856 -148822.9098 299.6112 172.3026 202.8713 557757.0579 13.0645 12.9972 PRESSURE: 456000 -288.384 139.241 144.267 139.24 152.512 90.1773 144.267 90.1768 -197.737 GPRESSURE: 456000 -268.271 69.4292 171.123 209.226 196.709 108.665 118.709 139.092 -174.902 PRESSAVG: 456000 78.9994 -7.91256 23.7772 -7.91252 -0.532057 46.2741 23.7773 46.2742 -48.029 GPRESSAVG: 456000 78.8331 -8.79751 23.5589 -7.62788 0.885362 46.4732 21.6176 46.073 -48.9781 TIMING: 456000 CPU: 1367.01, 0.00303914/step Wall: 1367.01, 0.00303914/step, 3.83607 hours remaining, 207.398438 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: 456000 742.3436 2106.5004 1922.6909 116.9968 -205805.4141 17634.3977 0.0000 0.0000 34365.5305 -148916.9543 300.1227 -183282.4847 -148823.2562 299.9887 -111.2027 -82.1549 560084.0534 10.1461 10.2468 PRESSURE: 456200 -138.777 31.0757 -181.936 31.0765 -155.674 29.1185 -181.937 29.1194 109.599 GPRESSURE: 456200 -38.9892 24.4656 -170.328 18.033 -105.897 15.8936 -145.819 -6.80068 61.7464 PRESSAVG: 456200 2.07992 31.0593 -23.1711 31.0593 43.4559 -11.5688 -23.1711 -11.5686 -13.5735 GPRESSAVG: 456200 2.55591 30.5602 -23.4132 31.3126 43.3942 -10.4831 -21.0252 -10.5095 -13.9804 TIMING: 456200 CPU: 1367.62, 0.00303035/step Wall: 1367.62, 0.00303035/step, 3.8248 hours remaining, 207.398438 MB of memory in use. ENERGY: 456200 719.6945 2092.4526 1946.5883 114.7629 -206087.8659 17848.0753 0.0000 0.0000 34360.2089 -149006.0834 300.0763 -183366.2923 -148901.5754 300.0692 -61.6172 -27.7132 560049.4048 10.6541 10.6566 LDB: ============= START OF LOAD BALANCING ============== 1371.13 LDB: ============== END OF LOAD BALANCING =============== 1371.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1371.14 LDB: ============= START OF LOAD BALANCING ============== 1371.44 LDB: Largest compute 4800 load 0.031913 is 27.1% of average load 0.117950 LDB: Average compute 0.001727 is 1.5% of average load 0.117950 LDB: TIME 1371.44 LOAD: AVG 0.11795 MAX 0.21536 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.426 MB LDB: TIME 1371.44 LOAD: AVG 0.11795 MAX 0.21536 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.426 MB LDB: TIME 1371.44 LOAD: AVG 0.11795 MAX 0.21536 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.426 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1371.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1371.45 PRESSURE: 456400 -110.446 -31.6978 70.1581 -31.6977 66.9737 6.15924 70.1575 6.15939 -166.913 GPRESSURE: 456400 -82.6387 -79.7876 54.8241 -61.8755 88.3186 -65.8494 55.6325 141.139 -121.842 PRESSAVG: 456400 -8.90763 -11.0034 12.0086 -11.0034 55.7 -24.5889 12.0086 -24.5889 8.79153 GPRESSAVG: 456400 -8.95647 -10.094 14.4479 -8.38605 54.5057 -25.1291 8.86747 -24.5332 9.42783 TIMING: 456400 CPU: 1368.23, 0.00306874/step Wall: 1368.23, 0.00306874/step, 3.87309 hours remaining, 209.335938 MB of memory in use. ENERGY: 456400 812.0320 2045.8559 1962.4450 110.5860 -205933.1263 17819.9655 0.0000 0.0000 34297.9903 -148884.2515 299.5329 -183182.2418 -148784.1574 300.2597 -70.1284 -38.7207 557712.4666 18.5280 18.3257 PRESSURE: 456600 118.272 67.3131 48.1644 67.3132 99.6706 24.2838 48.1654 24.2843 251.494 GPRESSURE: 456600 112.365 10.8883 161.157 152.235 129.76 82.2226 -72.5245 -29.5498 318.892 PRESSAVG: 456600 18.7525 -15.0234 -1.84646 -15.0233 -14.9962 23.5801 -1.84644 23.5801 -24.4404 GPRESSAVG: 456600 19.0735 -17.811 -4.23626 -15.4918 -15.4804 24.8795 3.09203 23.3071 -25.0734 TIMING: 456600 CPU: 1368.83, 0.00300762/step Wall: 1368.83, 0.00300762/step, 3.79578 hours remaining, 209.539062 MB of memory in use. ENERGY: 456600 720.0225 2070.6387 1961.3126 128.3080 -206007.4986 17800.7508 0.0000 0.0000 34502.8999 -148823.5661 301.3224 -183326.4660 -148723.6862 299.8507 156.4787 187.0059 555936.9608 -6.8947 -7.1601 PRESSURE: 456800 -74.698 -31.165 -101.176 -31.165 -130.811 27.0338 -101.176 27.0349 -133.1 GPRESSURE: 456800 -53.7571 -37.1965 -23.4642 -40.2631 -86.8468 40.2179 -139.555 28.6291 -103.141 PRESSAVG: 456800 60.1369 -10.1628 -30.7217 -10.1627 -32.5326 39.3544 -30.7216 39.3543 -1.54097 GPRESSAVG: 456800 58.5818 -7.17453 -28.3307 -12.7849 -31.0813 40.9144 -33.8415 39.404 -1.37522 TIMING: 456800 CPU: 1369.43, 0.00298627/step Wall: 1369.43, 0.00298627/step, 3.76867 hours remaining, 209.539062 MB of memory in use. ENERGY: 456800 748.5283 2100.4012 1949.4587 116.0651 -205767.4675 17507.4091 0.0000 0.0000 34390.2533 -148955.3518 300.3386 -183345.6051 -148854.4576 299.8253 -112.8696 -81.2481 556481.8744 8.6878 8.7084 PRESSURE: 457000 -36.0913 -181.963 132.721 -181.964 -194.869 106.908 132.723 106.908 -83.9023 GPRESSURE: 457000 -2.59766 -132.209 65.7269 -249.423 -81.675 183.025 129.853 21.5943 -123.333 PRESSAVG: 457000 -11.0267 -74.9174 -5.01265 -74.9175 -49.7674 -25.1752 -5.01263 -25.1752 47.5743 GPRESSAVG: 457000 -10.6963 -74.592 -4.86828 -74.5954 -51.0053 -27.698 -5.73381 -25.1687 48.5948 TIMING: 457000 CPU: 1370.03, 0.00298911/step Wall: 1370.03, 0.00298911/step, 3.77209 hours remaining, 209.539062 MB of memory in use. ENERGY: 457000 760.9310 2059.1310 1951.8723 124.0836 -205927.0231 17638.3714 0.0000 0.0000 34323.8741 -149068.7598 299.7589 -183392.6339 -148974.5432 299.3500 -104.9541 -69.2018 556448.4072 -4.4066 -4.3689 PRESSURE: 457200 42.8986 -75.6511 147.981 -75.6515 182.752 -16.4229 147.98 -16.423 210.71 GPRESSURE: 457200 113.594 -145.011 87.2152 -23.7166 209.051 -48.9926 209.771 -31.5276 211.42 PRESSAVG: 457200 28.97 -25.5422 -26.6423 -25.5421 -74.3767 -4.6624 -26.6424 -4.66224 57.8651 GPRESSAVG: 457200 29.0357 -27.987 -27.376 -23.3635 -74.4073 -6.36831 -26.4938 -3.12243 58.1688 TIMING: 457200 CPU: 1370.63, 0.00300172/step Wall: 1370.63, 0.00300172/step, 3.78784 hours remaining, 209.539062 MB of memory in use. ENERGY: 457200 723.2515 2065.8388 1937.9065 108.5326 -206489.7708 17999.3375 0.0000 0.0000 34523.7211 -149131.1828 301.5042 -183654.9039 -149027.4864 299.5427 145.4536 178.0217 556539.3878 4.1528 4.2657 PRESSURE: 457400 163.808 80.8849 -9.45673 80.8846 -253.662 -108.59 -9.45565 -108.591 -59.8199 GPRESSURE: 457400 221.134 88.1383 -44.6721 108.208 -210.517 -61.5978 88.7887 -67.3302 -63.8102 PRESSAVG: 457400 60.0306 46.7757 -38.663 46.7756 35.829 50.4748 -38.663 50.4749 -74.489 GPRESSAVG: 457400 59.0399 49.1275 -39.5591 44.5036 36.9244 52.3845 -37.58 50.265 -75.0019 TIMING: 457400 CPU: 1371.23, 0.00301428/step Wall: 1371.23, 0.00301428/step, 3.80352 hours remaining, 209.539062 MB of memory in use. ENERGY: 457400 734.1887 2106.1549 1964.8790 115.8519 -205952.9316 17597.0015 0.0000 0.0000 34294.7775 -149140.0782 299.5048 -183434.8557 -149035.1634 300.1903 -49.8914 -17.7312 556365.4955 7.1235 6.9875 PRESSURE: 457600 110.914 -187.487 111.179 -187.487 201.675 22.0561 111.178 22.0568 197.048 GPRESSURE: 457600 156.43 -181.693 197.274 -157.499 212.744 67.938 21.251 33.8793 231.324 PRESSAVG: 457600 12.8558 -39.2079 2.79174 -39.2078 -47.2403 -7.30782 2.79168 -7.30776 -1.86983 GPRESSAVG: 457600 14.3812 -39.4817 4.03679 -40.0465 -47.8146 -8.62018 1.92478 -9.09506 -3.60354 TIMING: 457600 CPU: 1371.83, 0.00299889/step Wall: 1371.83, 0.00299889/step, 3.78394 hours remaining, 209.539062 MB of memory in use. ENERGY: 457600 727.6546 2123.7657 1934.6816 107.5704 -206013.1824 17875.9824 0.0000 0.0000 34279.9099 -148963.6178 299.3750 -183243.5277 -148865.2850 300.1365 169.8790 200.1661 555490.5547 -12.0848 -12.3456 PRESSURE: 457800 24.5504 35.3543 129.827 35.3553 -118.86 226.41 129.828 226.41 221.06 GPRESSURE: 457800 47.2085 34.8407 192.314 0.10433 -67.2963 168.392 101.452 262.478 257.622 PRESSAVG: 457800 -46.6607 -85.3019 47.8268 -85.3018 -56.8575 45.7725 47.8267 45.7724 65.7059 GPRESSAVG: 457800 -46.9406 -84.2253 49.5036 -85.0699 -56.792 44.858 48.1315 45.4225 66.0114 TIMING: 457800 CPU: 1372.43, 0.00299844/step Wall: 1372.43, 0.00299844/step, 3.7832 hours remaining, 209.539062 MB of memory in use. ENERGY: 457800 732.1973 2065.0457 1941.3714 123.8147 -206232.6148 17910.8972 0.0000 0.0000 34490.4919 -148968.7966 301.2140 -183459.2885 -148869.6258 299.5203 42.2501 79.1782 557716.4196 -12.6041 -12.5737 PRESSURE: 458000 194.946 -104.567 82.6306 -104.565 551.923 -44.3567 82.632 -44.3579 89.5983 GPRESSURE: 458000 194.544 -153.856 79.9599 -10.7468 548.777 -16.6936 108.281 -13.1268 182.279 PRESSAVG: 458000 -67.6494 -39.1348 40.9027 -39.1348 59.0638 13.5676 40.9027 13.5676 36.269 GPRESSAVG: 458000 -68.463 -40.6846 38.1586 -37.4004 58.6486 14.1037 39.6911 14.4477 37.4202 TIMING: 458000 CPU: 1373.04, 0.0030332/step Wall: 1373.04, 0.0030332/step, 3.82689 hours remaining, 209.539062 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: 458000 735.2540 2088.6092 1965.2124 111.0571 -206541.0288 18365.8895 0.0000 0.0000 34268.7428 -149006.2639 299.2775 -183275.0067 -148907.8347 300.2132 278.8225 308.5336 557865.7111 9.2278 9.2019 PRESSURE: 458200 94.9498 -122.41 -21.6395 -122.41 179.814 51.1899 -21.6385 51.1905 -61.6314 GPRESSURE: 458200 95.1135 -57.6148 -105.389 -109.836 215.568 61.7027 -9.86493 52.1736 -0.529715 PRESSAVG: 458200 9.81297 -40.383 5.79698 -40.3828 18.0216 41.6446 5.797 41.6446 -28.676 GPRESSAVG: 458200 10.3149 -40.4445 3.85155 -41.5044 18.51 41.1093 7.64352 42.0141 -29.1357 TIMING: 458200 CPU: 1373.63, 0.00299453/step Wall: 1373.63, 0.00299453/step, 3.77793 hours remaining, 209.539062 MB of memory in use. ENERGY: 458200 705.8950 2152.0262 1958.4776 116.8239 -205873.7717 17698.1057 0.0000 0.0000 34335.3628 -148907.0805 299.8593 -183242.4433 -148810.0632 300.5478 71.0440 103.3839 558409.2139 -0.2805 -0.1036 PRESSURE: 458400 -113.857 36.626 47.0272 36.626 -182.242 80.7975 47.0273 80.7978 -84.698 GPRESSURE: 458400 -40.3245 19.4985 38.2683 13.9318 -184.518 94.4414 67.6629 148.185 -65.229 PRESSAVG: 458400 -34.9838 -7.67942 -35.8514 -7.67946 -20.3032 37.023 -35.8513 37.0231 47.3119 GPRESSAVG: 458400 -34.2004 -7.42375 -33.7816 -7.06634 -20.3469 35.7486 -36.4207 38.451 46.4514 TIMING: 458400 CPU: 1374.24, 0.00301568/step Wall: 1374.24, 0.00301568/step, 3.80445 hours remaining, 209.539062 MB of memory in use. ENERGY: 458400 751.5159 2138.5650 1976.3821 97.5681 -205870.9929 17605.7260 0.0000 0.0000 34509.1270 -148792.1087 301.3768 -183301.2358 -148692.3874 300.7545 -126.9321 -96.6904 557534.4938 -2.6584 -2.6986 PRESSURE: 458600 152.382 12.7947 83.0358 12.7941 -62.5983 243.063 83.0375 243.063 88.6732 GPRESSURE: 458600 206.803 -14.4556 93.5766 -11.2447 -50.8056 243.351 101.278 166.505 120.664 PRESSAVG: 458600 17.0574 -10.4333 22.7757 -10.4333 -37.1613 57.6512 22.7757 57.6512 -0.0343608 GPRESSAVG: 458600 16.6064 -10.8376 21.0812 -10.0914 -36.3469 60.2599 21.3922 55.9171 -0.231796 TIMING: 458600 CPU: 1374.84, 0.00300095/step Wall: 1374.84, 0.00300095/step, 3.78569 hours remaining, 209.539062 MB of memory in use. ENERGY: 458600 739.3299 2109.2462 1956.2129 113.6068 -206109.6286 17984.1363 0.0000 0.0000 34432.6598 -148774.4367 300.7090 -183207.0965 -148680.5135 301.8298 59.4856 92.2205 556808.4609 -6.7127 -6.6575 PRESSURE: 458800 147.063 116.164 115.476 116.163 84.0619 -90.4606 115.477 -90.4603 24.2041 GPRESSURE: 458800 157.681 106.733 55.5751 209.354 151.14 -159.318 209.285 -139.021 51.7223 PRESSAVG: 458800 45.4299 13.0071 3.42478 13.0071 -5.06724 73.581 3.42481 73.5811 -54.6038 GPRESSAVG: 458800 44.7278 13.8899 5.16182 12.1143 -4.89642 73.2176 5.32527 73.1833 -54.2844 TIMING: 458800 CPU: 1375.44, 0.00300063/step Wall: 1375.44, 0.00300063/step, 3.78513 hours remaining, 209.539062 MB of memory in use. ENERGY: 458800 787.3476 2102.9073 1957.3532 109.2511 -206025.4866 17904.7931 0.0000 0.0000 34519.9008 -148643.9335 301.4709 -183163.8343 -148556.4358 300.8724 85.1098 120.1813 557951.9413 -4.7470 -4.8177 PRESSURE: 459000 -68.7809 39.4187 270 39.4174 -35.4581 -219.999 270 -219.999 -129.754 GPRESSURE: 459000 -48.7383 43.9327 254.435 113.89 13.1939 -154.354 281.286 -246.055 -96.8148 PRESSAVG: 459000 37.8381 -18.6832 46.8991 -18.6832 70.8298 -11.9872 46.8991 -11.9873 -83.1834 GPRESSAVG: 459000 38.1483 -18.2031 46.8963 -17.9269 70.6516 -13.0857 46.1204 -13.485 -82.6904 TIMING: 459000 CPU: 1376.04, 0.00301542/step Wall: 1376.04, 0.00301542/step, 3.80362 hours remaining, 209.539062 MB of memory in use. ENERGY: 459000 762.4433 2116.8187 1976.4610 115.6437 -205669.8662 17691.6334 0.0000 0.0000 34353.6005 -148653.2655 300.0185 -183006.8660 -148560.6320 301.1773 -77.9977 -44.1197 557545.1074 8.4948 8.7032 PRESSURE: 459200 -55.6479 71.2371 -79.4936 71.2376 -182.03 122.749 -79.4946 122.749 -92.0723 GPRESSURE: 459200 -17.1074 75.2197 -108.41 35.0132 -177.375 92.1151 -46.4714 114.97 -43.2222 PRESSAVG: 459200 5.52375 36.0956 46.0488 36.0956 -32.335 -2.28562 46.0489 -2.28554 25.5588 GPRESSAVG: 459200 4.0369 36.2209 45.1174 35.176 -32.5101 -1.93236 47.4231 -0.274259 26.6106 TIMING: 459200 CPU: 1376.64, 0.00301452/step Wall: 1376.64, 0.00301452/step, 3.80232 hours remaining, 209.539062 MB of memory in use. ENERGY: 459200 760.8079 2102.1521 1974.6765 119.0061 -205876.1840 17569.6528 0.0000 0.0000 34544.1309 -148805.7576 301.6825 -183349.8885 -148701.9357 300.5415 -109.9167 -79.2349 556558.5973 -0.4175 -0.6209 PRESSURE: 459400 -234.089 -21.698 82.4765 -21.6983 -123.571 -5.0515 82.476 -5.05183 -169.24 GPRESSURE: 459400 -225.464 -102.197 34.5796 -46.428 -76.6861 89.4059 121.879 -55.0628 -126.824 PRESSAVG: 459400 106.817 50.215 0.255651 50.215 -41.6739 10.6295 0.255764 10.6295 -16.8973 GPRESSAVG: 459400 107.505 48.3975 1.64087 50.13 -41.8049 13.4618 -2.0409 8.65939 -18.1553 TIMING: 459400 CPU: 1377.25, 0.00301325/step Wall: 1377.25, 0.00301325/step, 3.80055 hours remaining, 209.539062 MB of memory in use. ENERGY: 459400 755.7433 2170.0767 1940.7200 113.0976 -205693.5944 17508.5926 0.0000 0.0000 34416.3273 -148789.0368 300.5663 -183205.3642 -148690.2116 300.5726 -175.6335 -142.9912 557947.6826 16.0821 15.8481 PRESSURE: 459600 -64.5899 9.28585 57.98 9.28583 -47.9762 12.2989 57.9807 12.2997 -202.81 GPRESSURE: 459600 12.2024 -32.5776 49.8342 83.0828 -91.9212 3.53831 56.8822 15.7895 -152.842 PRESSAVG: 459600 -48.3942 -24.1096 -9.13914 -24.1096 37.7717 30.714 -9.1391 30.7139 -46.0518 GPRESSAVG: 459600 -48.3624 -23.9826 -9.06329 -20.8797 37.2082 28.1913 -8.67951 31.6586 -45.9258 TIMING: 459600 CPU: 1377.84, 0.00297453/step Wall: 1377.84, 0.00297453/step, 3.75155 hours remaining, 209.539062 MB of memory in use. ENERGY: 459600 783.0687 2126.1565 1952.2184 113.7054 -205867.2176 17741.8564 0.0000 0.0000 34321.4889 -148828.7233 299.7381 -183150.2121 -148723.1066 299.9871 -105.1253 -77.5203 558567.2419 -18.8914 -19.0267 PRESSURE: 459800 243.546 134.705 174.51 134.705 134.319 -80.7032 174.509 -80.7028 259.583 GPRESSURE: 459800 258.47 119.049 191.486 136.782 122.913 -34.5181 215.259 -55.2626 347.262 PRESSAVG: 459800 46.1689 -11.0377 19.1932 -11.0375 -41.0077 52.915 19.1932 52.9151 -45.0899 GPRESSAVG: 459800 46.8095 -11.4833 18.5806 -12.7803 -41.1016 53.8972 21.2266 52.6774 -45.5851 TIMING: 459800 CPU: 1378.44, 0.00298235/step Wall: 1378.44, 0.00298235/step, 3.76124 hours remaining, 209.539062 MB of memory in use. ENERGY: 459800 777.5100 2143.6823 2001.1366 118.7013 -206448.8314 18294.5599 0.0000 0.0000 34422.6118 -148690.6295 300.6212 -183113.2413 -148588.8421 300.3981 212.4827 242.8817 557677.9547 -13.3096 -13.2924 PRESSURE: 460000 -316.3 -56.7497 -18.1102 -56.7513 -51.6939 94.1397 -18.1109 94.1392 -32.8618 GPRESSURE: 460000 -254.654 -97.3676 -59.2447 14.8087 -18.0836 16.568 14.7071 98.5343 -33.5409 PRESSAVG: 460000 52.6521 -53.0436 44.8245 -53.0436 -55.3263 -19.543 44.8246 -19.543 11.9321 GPRESSAVG: 460000 52.212 -50.7962 43.7854 -54.7869 -54.8637 -20.8002 44.5357 -18.401 12.1607 TIMING: 460000 CPU: 1379.03, 0.00298447/step Wall: 1379.03, 0.00298447/step, 3.76374 hours remaining, 209.539062 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: 460000 806.0235 2136.7350 1959.4637 123.7043 -206061.7889 17764.7446 0.0000 0.0000 34467.6356 -148803.4822 301.0144 -183271.1178 -148707.5539 300.7180 -133.6187 -102.0927 558292.2426 3.0860 3.1697 PRESSURE: 460200 48.8003 66.5372 -13.1472 66.5375 3.61101 -8.41182 -13.1467 -8.41053 3.25057 GPRESSURE: 460200 2.77012 90.3147 -17.7591 -21.2776 59.5967 18.5655 -4.04649 3.51138 97.7625 PRESSAVG: 460200 60.7962 7.0609 17.488 7.06088 -73.2273 17.1827 17.488 17.1826 20.2976 GPRESSAVG: 460200 61.0723 6.29883 20.2381 10.6317 -72.7927 18.7807 16.6026 16.0252 19.4592 TIMING: 460200 CPU: 1379.63, 0.00297015/step Wall: 1379.63, 0.00297015/step, 3.74553 hours remaining, 209.539062 MB of memory in use. ENERGY: 460200 707.7865 2137.3360 1969.5846 113.8033 -206012.7244 17721.2956 0.0000 0.0000 34467.8072 -148895.1113 301.0159 -183362.9185 -148796.4825 300.6950 18.5540 53.3764 556251.2220 2.6222 2.5796 LDB: ============= START OF LOAD BALANCING ============== 1383.14 LDB: ============== END OF LOAD BALANCING =============== 1383.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1383.15 LDB: ============= START OF LOAD BALANCING ============== 1383.45 LDB: Largest compute 4800 load 0.031988 is 27.1% of average load 0.117930 LDB: Average compute 0.001728 is 1.5% of average load 0.117930 LDB: TIME 1383.45 LOAD: AVG 0.11793 MAX 0.214546 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.891 MB LDB: TIME 1383.45 LOAD: AVG 0.11793 MAX 0.214546 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.895 MB LDB: TIME 1383.45 LOAD: AVG 0.11793 MAX 0.214546 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.895 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1383.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1383.45 PRESSURE: 460400 -171.306 32.0799 -27.6459 32.0784 -297.55 -21.5115 -27.6455 -21.5143 -20.1478 GPRESSURE: 460400 -162.28 61.0671 9.89822 146.785 -265.214 2.20213 -78.3198 -39.6545 33.9433 PRESSAVG: 460400 -4.28364 74.481 -29.9393 74.481 52.8974 -2.66067 -29.9394 -2.6606 -12.521 GPRESSAVG: 460400 -4.95069 73.961 -33.5138 73.332 51.773 -6.20878 -30.4292 -1.20544 -11.2656 TIMING: 460400 CPU: 1380.24, 0.00304796/step Wall: 1380.24, 0.00304796/step, 3.84347 hours remaining, 207.718750 MB of memory in use. ENERGY: 460400 763.1785 2097.1130 1953.0262 112.2553 -205769.8919 17651.2424 0.0000 0.0000 34256.7899 -148936.2865 299.1731 -183193.0764 -148831.8331 300.3475 -163.0011 -131.1838 559252.4143 12.0309 11.8522 PRESSURE: 460600 -345.597 168.766 24.0848 168.765 -82.6979 -26.5591 24.0849 -26.559 53.9609 GPRESSURE: 460600 -291.934 114.642 31.3825 175.847 -43.8534 -56.8156 71.6253 72.9264 62.4894 PRESSAVG: 460600 -30.7627 51.8452 1.35865 51.8452 -17.7834 -57.244 1.35865 -57.244 84.4297 GPRESSAVG: 460600 -29.8067 52.0231 4.33107 51.5594 -17.5471 -55.8373 2.80512 -57.6119 83.417 TIMING: 460600 CPU: 1380.84, 0.00299771/step Wall: 1380.84, 0.00299771/step, 3.77995 hours remaining, 207.921875 MB of memory in use. ENERGY: 460600 722.6854 2135.2267 1940.5317 124.8843 -205807.5692 17629.2825 0.0000 0.0000 34220.4659 -149034.4926 298.8558 -183254.9585 -148946.8251 299.6874 -124.7779 -91.0994 560162.3597 11.9612 12.0210 PRESSURE: 460800 21.039 71.826 -71.1823 71.8262 54.6465 48.4024 -71.1834 48.4017 43.2724 GPRESSURE: 460800 51.6698 12.4149 33.4706 130.115 109.526 -18.1942 -160.219 91.3464 55.987 PRESSAVG: 460800 -50.0296 21.1866 6.04534 21.1866 22.6442 -47.2781 6.04527 -47.2782 -19.6018 GPRESSAVG: 460800 -49.8817 19.8593 5.48798 20.2017 22.4649 -48.2007 3.582 -47.4009 -19.7829 TIMING: 460800 CPU: 1381.44, 0.00302605/step Wall: 1381.44, 0.00302605/step, 3.81551 hours remaining, 207.921875 MB of memory in use. ENERGY: 460800 744.1170 2120.0449 1926.1755 94.7680 -206194.5703 17976.3917 0.0000 0.0000 34401.8726 -148931.2006 300.4401 -183333.0733 -148835.3554 299.8774 39.6527 72.3944 559340.9808 -15.6624 -15.7332 PRESSURE: 461000 -184.596 14.8157 -5.4796 14.8167 -78.824 17.4197 -5.47869 17.4212 138.735 GPRESSURE: 461000 -130.223 -32.2314 -65.9718 -40.192 -88.4112 -27.9184 -10.5819 102.304 172.776 PRESSAVG: 461000 16.767 -2.3468 27.626 -2.34668 0.516538 -8.81811 27.6261 -8.81796 7.77291 GPRESSAVG: 461000 16.6137 -1.16508 28.8963 -1.96139 -0.693964 -5.64211 27.8625 -9.57744 8.82133 TIMING: 461000 CPU: 1382.05, 0.00302137/step Wall: 1382.05, 0.00302136/step, 3.80944 hours remaining, 207.921875 MB of memory in use. ENERGY: 461000 761.2795 2042.5815 1922.4422 110.6952 -205955.5121 17719.3785 0.0000 0.0000 34449.6508 -148949.4844 300.8574 -183399.1352 -148852.0382 300.4895 -41.5617 -15.2861 558500.3221 8.3522 8.2470 PRESSURE: 461200 -61.4882 -197.077 -125.599 -197.077 -21.5423 50.6544 -125.598 50.6552 162.638 GPRESSURE: 461200 -17.4273 -161.799 -96.4775 -191.505 17.1782 58.0039 -188.465 -27.3969 172.678 PRESSAVG: 461200 14.8447 35.511 14.0799 35.511 -26.3409 76.3079 14.0799 76.3079 24.5935 GPRESSAVG: 461200 15.4682 36.7313 10.8474 34.711 -25.4159 76.3961 15.3669 78.4528 22.7705 TIMING: 461200 CPU: 1382.65, 0.00301494/step Wall: 1382.65, 0.00301494/step, 3.80118 hours remaining, 207.921875 MB of memory in use. ENERGY: 461200 752.9965 2117.8269 1961.0978 117.0856 -206262.6856 17958.6494 0.0000 0.0000 34335.8903 -149019.1392 299.8639 -183355.0295 -148928.0792 299.7683 26.5359 57.4763 558886.7626 4.3658 4.2743 PRESSURE: 461400 -58.3946 -15.0517 125.572 -15.0509 80.8329 -126.352 125.572 -126.352 114.996 GPRESSURE: 461400 -83.8109 -14.9955 146.977 10.9 159.456 -104.021 142.724 -28.0022 134.5 PRESSAVG: 461400 16.9565 -14.0017 -0.862577 -14.0018 -76.4348 12.2793 -0.862662 12.2792 40.743 GPRESSAVG: 461400 16.1998 -15.8484 0.626252 -14.8997 -76.3419 9.55004 0.114733 10.6464 41.5188 TIMING: 461400 CPU: 1383.25, 0.00300173/step Wall: 1383.25, 0.00300173/step, 3.78435 hours remaining, 207.921875 MB of memory in use. ENERGY: 461400 744.6130 2162.0305 1935.6470 108.4051 -206183.7984 17806.2825 0.0000 0.0000 34300.8901 -149125.9302 299.5582 -183426.8203 -149023.9418 300.0522 45.8116 70.0484 557562.7903 -6.2451 -6.2077 PRESSURE: 461600 44.206 84.2858 -36.5903 84.2864 -2.45774 17.4102 -36.5912 17.409 -301.706 GPRESSURE: 461600 113.84 44.5233 -104.393 101.606 -5.5291 -80.2123 -42.8127 39.8186 -275.421 PRESSAVG: 461600 27.0694 20.0566 -30.9097 20.0567 -3.19441 40.5896 -30.9098 40.5896 -19.7335 GPRESSAVG: 461600 27.0896 18.4197 -30.4767 22.5967 -2.71481 40.9133 -31.4184 42.3098 -20.057 TIMING: 461600 CPU: 1383.85, 0.00301233/step Wall: 1383.85, 0.00301233/step, 3.79754 hours remaining, 207.921875 MB of memory in use. ENERGY: 461600 722.5333 2056.7982 1971.2902 117.3715 -206124.2432 17677.9773 0.0000 0.0000 34348.7207 -149229.5520 299.9759 -183578.2727 -149123.1913 299.6921 -86.6527 -55.7037 557182.5746 1.3805 1.4393 PRESSURE: 461800 -84.8552 121.235 -37.5726 121.235 -384.035 47.9682 -37.5738 47.9685 -62.1137 GPRESSURE: 461800 -28.3995 67.3458 -95.1845 65.8325 -319.885 84.9904 2.19771 -38.1055 -87.0428 PRESSAVG: 461800 -16.3923 32.0471 -55.2155 32.0472 -8.0486 -8.58011 -55.2155 -8.58009 51.9919 GPRESSAVG: 461800 -16.1835 35.1446 -57.197 30.7195 -7.8031 -6.88455 -54.6603 -9.57472 51.217 TIMING: 461800 CPU: 1384.45, 0.00300481/step Wall: 1384.45, 0.00300481/step, 3.78789 hours remaining, 207.921875 MB of memory in use. ENERGY: 461800 749.8335 2156.7184 1947.4460 97.8873 -206027.9197 17628.9885 0.0000 0.0000 34257.1596 -149189.8864 299.1763 -183447.0461 -149093.4275 299.6738 -177.0012 -145.1091 558182.4984 9.1837 9.0768 PRESSURE: 462000 147.731 72.5031 -43.4805 72.5022 -126.186 -74.6189 -43.4801 -74.6199 -97.492 GPRESSURE: 462000 225.542 82.7866 -133.441 78.8903 -147.204 -40.9266 54.7931 -97.2641 -49.9887 PRESSAVG: 462000 -12.1525 -22.7614 -51.4006 -22.7615 -5.419 -37.8663 -51.4005 -37.8663 7.55676 GPRESSAVG: 462000 -11.9207 -23.0319 -50.5043 -23.6471 -5.87351 -38.5046 -52.5544 -37.9307 8.17299 TIMING: 462000 CPU: 1385.06, 0.00301107/step Wall: 1385.06, 0.00301107/step, 3.79562 hours remaining, 207.921875 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: 462000 742.9546 2093.4382 1945.7150 123.6741 -206757.1352 18039.2909 0.0000 0.0000 34626.5587 -149185.5036 302.4023 -183812.0624 -149084.3610 299.3850 -25.3155 9.4497 557756.3375 -3.3383 -3.2071 PRESSURE: 462200 -262.18 49.8468 -61.728 49.8464 -50.3226 -84.5584 -61.7277 -84.5564 240.977 GPRESSURE: 462200 -243.029 21.4604 36.4913 5.70564 -23.6732 19.5437 -195.563 4.86958 281.552 PRESSAVG: 462200 -63.4171 11.8986 28.4315 11.8986 47.1495 35.8952 28.4314 35.8952 18.7114 GPRESSAVG: 462200 -63.1169 10.2675 29.0372 14.1613 45.7604 35.0808 30.2109 35.6204 19.3712 TIMING: 462200 CPU: 1385.66, 0.0030033/step Wall: 1385.66, 0.0030033/step, 3.78565 hours remaining, 207.921875 MB of memory in use. ENERGY: 462200 719.3115 2088.1281 1976.6931 108.0228 -206413.9511 17823.9440 0.0000 0.0000 34379.9349 -149317.9167 300.2485 -183697.8515 -149214.7052 300.1040 -23.8420 4.9499 556926.6671 0.8146 0.6716 PRESSURE: 462400 241.183 -12.8452 -28.6112 -12.8447 -104.67 -62.7467 -28.6111 -62.7467 123.76 GPRESSURE: 462400 202.972 79.0165 1.9378 48.6503 -57.6713 -85.0547 -74.5238 -57.6738 211.843 PRESSAVG: 462400 1.28205 12.837 -8.2212 12.837 -11.7569 7.07392 -8.22111 7.07389 2.2374 GPRESSAVG: 462400 0.699531 16.1385 -5.91674 12.6149 -10.4553 5.62115 -10.1499 9.51739 1.45114 TIMING: 462400 CPU: 1386.26, 0.0029894/step Wall: 1386.26, 0.0029894/step, 3.76797 hours remaining, 207.921875 MB of memory in use. ENERGY: 462400 729.1967 2073.2173 1906.3578 114.4025 -206188.4099 17791.1699 0.0000 0.0000 34339.1794 -149234.8863 299.8926 -183574.0656 -149135.2347 298.9442 86.7578 119.0479 555966.5850 -2.7458 -2.7682 PRESSURE: 462600 -123.65 117.727 81.3478 117.727 160.143 27.1385 81.3474 27.137 -117.263 GPRESSURE: 462600 -34.2598 263.442 47.7136 72.866 146.34 -25.5819 52.5548 44.5419 -86.275 PRESSAVG: 462600 48.9163 1.20505 -13.5592 1.20508 -48.3526 -52.5561 -13.5593 -52.5562 24.6673 GPRESSAVG: 462600 49.5298 -0.0641676 -16.906 -0.320342 -49.1255 -51.5302 -13.4176 -53.0955 24.5694 TIMING: 462600 CPU: 1386.86, 0.00299963/step Wall: 1386.86, 0.00299963/step, 3.7807 hours remaining, 207.921875 MB of memory in use. ENERGY: 462600 746.1841 2064.5474 1921.4959 103.2794 -206155.8552 17830.8249 0.0000 0.0000 34169.1209 -149320.4027 298.4074 -183489.5235 -149226.8425 298.9563 -26.9234 8.6018 558242.6410 8.4103 8.3246 PRESSURE: 462800 -25.5425 59.6007 -7.58022 59.6007 -182.779 61.022 -7.58043 61.0209 -55.8762 GPRESSURE: 462800 62.9248 51.7671 -49.9793 -72.2561 -189.838 107.511 -36.4201 49.3238 -29.2829 PRESSAVG: 462800 6.38473 42.6866 -90.4004 42.6865 -39.6128 -15.172 -90.4004 -15.172 25.7881 GPRESSAVG: 462800 7.62864 42.5248 -90.2849 43.0707 -40.852 -13.3434 -90.9286 -16.3282 25.8131 TIMING: 462800 CPU: 1387.45, 0.00299683/step Wall: 1387.45, 0.00299683/step, 3.77701 hours remaining, 207.921875 MB of memory in use. ENERGY: 462800 777.3197 2074.1622 1917.9005 111.7950 -206061.1263 17599.9850 0.0000 0.0000 34235.5812 -149344.3827 298.9878 -183579.9639 -149244.5755 298.7186 -88.0659 -52.0655 556383.9569 -2.4800 -2.4701 PRESSURE: 463000 -195.825 -43.4941 58.2901 -43.4942 -131.711 139.009 58.2906 139.01 205.018 GPRESSURE: 463000 -186.139 4.62155 138.787 -100.61 -64.1585 91.8888 2.19594 115.146 236.707 PRESSAVG: 463000 -27.9293 -46.0152 -36.0358 -46.0151 13.0156 36.8561 -36.0358 36.856 3.46209 GPRESSAVG: 463000 -29.6402 -48.5028 -33.4563 -46.3234 13.2957 35.6624 -37.9825 36.8423 4.48601 TIMING: 463000 CPU: 1388.06, 0.00300541/step Wall: 1388.06, 0.00300541/step, 3.78765 hours remaining, 207.921875 MB of memory in use. ENERGY: 463000 744.7983 2075.4863 1939.7605 108.0476 -206157.9121 17761.9008 0.0000 0.0000 34210.6627 -149317.2559 298.7702 -183527.9186 -149219.4365 299.0359 -40.8393 -4.5300 558740.1360 -3.8172 -3.9528 PRESSURE: 463200 -92.0514 -147.056 212.693 -147.056 -112.777 58.7726 212.694 58.7729 101.685 GPRESSURE: 463200 -68.3902 -95.6811 186.427 -98.7189 -115.193 26.5241 112.456 101.791 195.036 PRESSAVG: 463200 -60.1373 -16.215 -42.0446 -16.215 3.72086 -26.7959 -42.0446 -26.7958 13.6511 GPRESSAVG: 463200 -59.1408 -14.2384 -44.6057 -15.3831 4.37893 -26.4151 -40.5711 -26.9482 12.6672 TIMING: 463200 CPU: 1388.65, 0.00299591/step Wall: 1388.65, 0.00299591/step, 3.77551 hours remaining, 207.921875 MB of memory in use. ENERGY: 463200 724.0192 2066.5965 1954.1964 113.0049 -206107.5951 17779.6834 0.0000 0.0000 34252.1178 -149217.9769 299.1323 -183470.0947 -149119.3616 299.4090 -34.3810 3.8178 557616.8047 -14.2551 -14.0316 PRESSURE: 463400 -302.477 -63.6012 114.654 -63.6008 -133.761 -36.1444 114.656 -36.1443 -36.8201 GPRESSURE: 463400 -301.012 -55.5717 27.4716 -32.0541 -108.717 5.72483 207.011 -52.6983 29.2183 PRESSAVG: 463400 -84.8967 -44.8011 -2.78693 -44.8011 30.579 -26.4936 -2.78693 -26.4935 38.4816 GPRESSAVG: 463400 -85.5788 -44.7945 -2.99267 -44.7616 30.2294 -27.326 -1.58453 -26.4838 39.0417 TIMING: 463400 CPU: 1389.25, 0.00299545/step Wall: 1389.25, 0.00299545/step, 3.77477 hours remaining, 207.921875 MB of memory in use. ENERGY: 463400 759.1727 2132.1414 1942.6112 104.2382 -206059.5594 17670.1910 0.0000 0.0000 34374.0681 -149077.1367 300.1973 -183451.2048 -148978.8466 299.5174 -157.6862 -126.8369 558170.8815 -5.2787 -5.4359 PRESSURE: 463600 -83.4408 -13.1602 -71.1904 -13.1599 223.966 -90.7431 -71.1898 -90.7428 411.524 GPRESSURE: 463600 -12.9993 -17.4065 21.743 -61.0538 229.311 -117.346 -86.9282 -192.368 440.311 PRESSAVG: 463600 -44.055 -25.86 -24.6935 -25.8601 49.7248 -22.4263 -24.6934 -22.4265 18.6308 GPRESSAVG: 463600 -42.7539 -25.5715 -23.8824 -26.2583 48.585 -22.9902 -26.1096 -21.5555 18.0636 TIMING: 463600 CPU: 1389.85, 0.00297343/step Wall: 1389.85, 0.00297343/step, 3.74686 hours remaining, 207.921875 MB of memory in use. ENERGY: 463600 750.9773 2089.0400 1954.0621 113.3230 -205961.2962 17930.7926 0.0000 0.0000 34109.1930 -149013.9083 297.8841 -183123.1012 -148917.3478 299.9828 184.0162 218.8741 558118.8611 8.1002 7.9649 PRESSURE: 463800 -87.5006 98.1301 14.5527 98.1303 -24.5026 29.3797 14.5528 29.3792 -134.148 GPRESSURE: 463800 -44.0395 160.403 7.95004 89.3587 -6.94941 69.4281 54.3117 77.3629 -91.8945 PRESSAVG: 463800 -29.6375 -22.3347 -7.24124 -22.3348 25.0608 -45.2576 -7.24132 -45.2575 -1.67911 GPRESSAVG: 463800 -29.5252 -22.4839 -7.02611 -22.027 25.7507 -43.3414 -6.28225 -44.3414 -2.75952 TIMING: 463800 CPU: 1390.44, 0.00297157/step Wall: 1390.44, 0.00297157/step, 3.74434 hours remaining, 207.921875 MB of memory in use. ENERGY: 463800 767.2378 2067.6549 1932.0920 115.1228 -206032.1177 17698.1895 0.0000 0.0000 34545.7530 -148906.0677 301.6967 -183451.8207 -148817.7933 300.1560 -82.0505 -47.6278 557415.1153 -2.0853 -2.1780 PRESSURE: 464000 -100.238 29.0367 22.4738 29.0378 -73.5232 28.1329 22.4745 28.1335 1.46138 GPRESSURE: 464000 -122.73 56.2931 -13.8111 149.009 -53.0995 146.368 38.3424 58.7404 104.152 PRESSAVG: 464000 77.3175 3.78506 -23.758 3.78504 -13.826 -4.4509 -23.758 -4.45088 -24.4412 GPRESSAVG: 464000 76.2539 2.52466 -24.6025 4.43929 -13.8947 -6.10022 -25.2531 -5.41129 -23.6731 TIMING: 464000 CPU: 1391.04, 0.00299894/step Wall: 1391.04, 0.00299894/step, 3.77867 hours remaining, 207.921875 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: 464000 746.6399 2081.3049 1911.3592 117.1474 -205931.3133 17704.8568 0.0000 0.0000 34410.5711 -148959.4339 300.5161 -183370.0050 -148857.3211 300.4077 -57.4331 -23.8925 557673.8251 13.0168 12.8954 PRESSURE: 464200 512.168 -105.507 -211.661 -105.507 102.052 33.0336 -211.661 33.0344 239.506 GPRESSURE: 464200 474.216 -131.909 -182.744 -56.1355 202.275 -0.927527 -156.73 -5.16098 302.404 PRESSAVG: 464200 1.79995 -13.7483 -30.6964 -13.7484 29.3561 8.51623 -30.6964 8.51618 -19.314 GPRESSAVG: 464200 1.06077 -13.5604 -29.2981 -16.8443 28.7209 10.7665 -30.9157 6.7218 -18.0282 TIMING: 464200 CPU: 1391.65, 0.00303882/step Wall: 1391.65, 0.00303882/step, 3.82874 hours remaining, 207.921875 MB of memory in use. ENERGY: 464200 731.0307 2145.9728 1960.5401 113.1265 -206216.8649 18011.6031 0.0000 0.0000 34177.5454 -149077.0463 298.4810 -183254.5917 -148983.8969 299.9869 284.5752 326.2982 555289.9265 3.9474 3.9178 LDB: ============= START OF LOAD BALANCING ============== 1395.17 LDB: ============== END OF LOAD BALANCING =============== 1395.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1395.17 LDB: ============= START OF LOAD BALANCING ============== 1395.48 LDB: Largest compute 4800 load 0.032180 is 27.3% of average load 0.117804 LDB: Average compute 0.001728 is 1.5% of average load 0.117804 LDB: TIME 1395.48 LOAD: AVG 0.117804 MAX 0.215362 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.254 MB LDB: TIME 1395.48 LOAD: AVG 0.117804 MAX 0.215362 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.457 MB LDB: TIME 1395.48 LOAD: AVG 0.117804 MAX 0.215362 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.457 MB LDB: ============== END OF LOAD BALANCING =============== 1395.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1395.49 PRESSURE: 464400 129.07 -179.798 -53.2841 -179.798 16.2832 -22.612 -53.2837 -22.6137 319.124 GPRESSURE: 464400 215.713 -144.268 -72.8301 -232.356 36.3388 36.1042 -63.843 -77.4981 325.465 PRESSAVG: 464400 88.9466 -81.0066 -14.4493 -81.0066 -22.5048 -33.3303 -14.4494 -33.3303 -17.7638 GPRESSAVG: 464400 89.6887 -79.9297 -15.6448 -77.6862 -21.7294 -34.6647 -14.3977 -32.3307 -19.067 TIMING: 464400 CPU: 1392.27, 0.00309147/step Wall: 1392.27, 0.00309146/step, 3.8949 hours remaining, 207.542969 MB of memory in use. ENERGY: 464400 758.9376 2033.1168 1933.5420 113.1811 -206140.5793 18124.2432 0.0000 0.0000 34251.5596 -148925.9990 299.1274 -183177.5585 -148834.2859 299.8608 154.8257 192.5057 557969.3989 16.2260 16.2974 PRESSURE: 464600 -184.964 -68.6937 -39.0564 -68.6937 -115.413 -68.6958 -39.0568 -68.6961 55.3443 GPRESSURE: 464600 -192.833 -103.264 -7.90721 -17.8646 -65.4617 -148.015 -67.4785 -31.9988 100.45 PRESSAVG: 464600 -14.7612 -53.2893 -34.8804 -53.2893 -6.28218 -22.3318 -34.8804 -22.3318 44.3061 GPRESSAVG: 464600 -15.8646 -53.2857 -33.9708 -55.1423 -5.90662 -23.0381 -34.007 -22.8251 45.2886 TIMING: 464600 CPU: 1392.87, 0.00302581/step Wall: 1392.87, 0.00302581/step, 3.81202 hours remaining, 207.609375 MB of memory in use. ENERGY: 464600 753.0825 2169.2750 1945.3166 122.0150 -206193.4656 17743.4711 0.0000 0.0000 34497.6433 -148962.6620 301.2765 -183460.3054 -148865.5423 300.4953 -81.6774 -52.6149 558568.0478 7.7542 7.8391 PRESSURE: 464800 70.8183 -26.9465 154.75 -26.9467 164.246 -84.1484 154.75 -84.1495 36.8089 GPRESSURE: 464800 76.0549 21.7079 121.155 31.7439 221.566 -99.626 236.53 -12.2393 63.2596 PRESSAVG: 464800 -59.3909 -10.6345 24.1405 -10.6345 -20.8622 -56.902 24.1406 -56.9018 46.7541 GPRESSAVG: 464800 -59.4365 -11.3498 22.7266 -10.0778 -21.6178 -56.8025 24.4182 -56.216 47.3017 TIMING: 464800 CPU: 1393.47, 0.00300414/step Wall: 1393.47, 0.00300414/step, 3.78454 hours remaining, 207.609375 MB of memory in use. ENERGY: 464800 773.5742 2064.2595 1931.3345 112.3179 -205976.4573 17942.3692 0.0000 0.0000 34174.7671 -148977.8349 298.4567 -183152.6020 -148881.2224 300.1003 90.6244 120.2936 558821.9619 -11.1663 -11.2509 PRESSURE: 465000 134.105 70.8013 190.894 70.8007 -81.2828 -212.351 190.893 -212.349 255.238 GPRESSURE: 465000 225.323 56.4423 228.793 57.231 -68.4487 -207.969 209.167 -187.07 255.087 PRESSAVG: 465000 -2.48138 -44.9834 46.1547 -44.9833 -38.777 -18.6114 46.1547 -18.6116 57.1061 GPRESSAVG: 465000 -3.6901 -44.3721 45.2267 -45.0336 -37.4604 -19.1045 46.8689 -18.5305 57.054 TIMING: 465000 CPU: 1394.07, 0.0029828/step Wall: 1394.07, 0.0029828/step, 3.7575 hours remaining, 207.609375 MB of memory in use. ENERGY: 465000 736.8589 2096.5757 1946.2820 110.2851 -206052.3717 17964.4423 0.0000 0.0000 34344.4585 -148853.4693 299.9387 -183197.9277 -148764.2802 300.9174 102.6866 137.3204 558999.0975 5.2826 5.3012 PRESSURE: 465200 61.2349 115.168 22.3055 115.169 -44.2329 -24.0727 22.3043 -24.0736 -380.834 GPRESSURE: 465200 69.8099 -42.6937 67.6407 158.084 -57.1348 -9.86189 57.8047 -5.46243 -281.435 PRESSAVG: 465200 -6.05863 36.6219 -6.70438 36.6219 5.511 -15.446 -6.70449 -15.446 -26.523 GPRESSAVG: 465200 -3.73522 35.9251 -6.50464 36.7058 5.47788 -13.5038 -5.78215 -16.4934 -28.4654 TIMING: 465200 CPU: 1394.67, 0.00300751/step Wall: 1394.67, 0.00300751/step, 3.78847 hours remaining, 207.609375 MB of memory in use. ENERGY: 465200 734.1698 2082.7108 1936.1171 132.1779 -205917.6833 17704.6297 0.0000 0.0000 34496.6040 -148831.2740 301.2674 -183327.8780 -148742.9698 301.2707 -121.2773 -89.5867 559686.4684 -9.0235 -8.9076 PRESSURE: 465400 -76.9513 9.2293 13.5432 9.22837 -239.199 -112.062 13.5447 -112.063 -199.324 GPRESSURE: 465400 -30.4345 -35.9188 98.024 88.7952 -279.312 -52.0248 -24.0775 -114.217 -108.017 PRESSAVG: 465400 -19.0464 -10.8581 -4.86534 -10.8582 74.94 3.68131 -4.86527 3.68127 -6.5848 GPRESSAVG: 465400 -20.3196 -10.2985 -2.79584 -10.1388 73.8658 3.15143 -7.4576 1.77756 -5.04096 TIMING: 465400 CPU: 1395.28, 0.00301267/step Wall: 1395.28, 0.00301267/step, 3.79479 hours remaining, 207.609375 MB of memory in use. ENERGY: 465400 795.5364 2131.5210 1958.3303 117.5948 -205888.6523 17668.0945 0.0000 0.0000 34472.5372 -148745.0381 301.0572 -183217.5753 -148648.4238 301.6327 -171.8246 -139.2544 559496.2404 16.4363 16.1684 PRESSURE: 465600 189.527 -104.676 -105.722 -104.676 167.134 281.844 -105.722 281.844 106.99 GPRESSURE: 465600 248.42 11.3732 -115.76 -122.3 191.551 322.628 -170.625 289.598 109.703 PRESSAVG: 465600 -17.0743 -9.64002 -74.3185 -9.64012 21.5877 -5.11823 -74.3186 -5.11824 15.1102 GPRESSAVG: 465600 -16.6577 -9.64644 -75.3963 -10.4299 22.2416 -5.85692 -73.1787 -2.19341 13.5831 TIMING: 465600 CPU: 1395.88, 0.00300929/step Wall: 1395.88, 0.00300929/step, 3.79037 hours remaining, 207.609375 MB of memory in use. ENERGY: 465600 710.0513 2100.5851 1918.5177 112.2033 -206162.1030 18102.1828 0.0000 0.0000 34410.2960 -148808.2668 300.5137 -183218.5628 -148712.3929 300.5251 154.5502 183.2249 560970.9446 6.5412 6.3890 PRESSURE: 465800 -5.63567 9.34074 -109.948 9.33991 141.587 45.8434 -109.948 45.843 129.188 GPRESSURE: 465800 45.0203 23.2108 -120.627 18.8154 139.99 103.402 -81.581 36.0953 170.94 PRESSAVG: 465800 3.0424 -9.56805 7.24042 -9.56803 13.5097 -0.833434 7.24043 -0.833493 -62.309 GPRESSAVG: 465800 1.85054 -9.16794 8.24883 -8.65308 13.8485 -0.140566 7.00192 -1.63676 -60.9251 TIMING: 465800 CPU: 1396.48, 0.00300925/step Wall: 1396.48, 0.00300925/step, 3.79015 hours remaining, 207.609375 MB of memory in use. ENERGY: 465800 760.0675 2106.1309 1935.5847 111.0081 -206267.7763 18096.8394 0.0000 0.0000 34322.3659 -148935.7800 299.7458 -183258.1458 -148845.5338 299.8940 88.3799 118.6500 561198.3270 -15.2523 -15.0754 PRESSURE: 466000 -305.638 21.0881 -3.05683 21.0875 -77.6055 -239.77 -3.057 -239.768 47.1787 GPRESSURE: 466000 -281.159 98.5653 -32.5569 -51.6157 -26.7923 -255.57 -11.4956 -197.703 72.5726 PRESSAVG: 466000 57.2485 77.3312 7.09201 77.3313 -15.9323 -11.0466 7.09206 -11.0465 -25.2295 GPRESSAVG: 466000 58.2305 78.8111 6.91385 74.6498 -15.5006 -11.5277 7.03277 -11.4362 -26.2712 TIMING: 466000 CPU: 1397.08, 0.00302871/step Wall: 1397.08, 0.00302871/step, 3.81449 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: 466000 748.7143 2116.2006 1932.3094 104.9845 -205935.9872 17800.5978 0.0000 0.0000 34266.5802 -148966.6005 299.2586 -183233.1807 -148868.2463 299.8814 -112.0217 -78.4596 559781.6425 5.3622 5.4862 PRESSURE: 466200 332.065 34.7158 -111.043 34.7163 241.538 24.9004 -111.042 24.9023 10.7229 GPRESSURE: 466200 346.459 74.7584 -173.612 -9.54231 300.306 -20.6107 -133.302 58.0499 30.9715 PRESSAVG: 466200 -8.30352 29.1701 -6.67825 29.1701 5.97781 13.5122 -6.67824 13.5123 12.0247 GPRESSAVG: 466200 -9.02281 25.4564 -8.15371 30.9254 6.92732 13.2589 -5.93782 12.6553 11.932 TIMING: 466200 CPU: 1397.69, 0.00302086/step Wall: 1397.69, 0.00302086/step, 3.80444 hours remaining, 207.609375 MB of memory in use. ENERGY: 466200 764.7568 2113.3324 1926.9866 113.1022 -206547.4607 18142.6685 0.0000 0.0000 34468.5421 -149018.0720 301.0224 -183486.6141 -148925.1397 299.9289 194.7754 225.9120 557821.0155 3.2330 3.2788 PRESSURE: 466400 -159.283 -29.9302 8.9458 -29.9299 -2.92114 51.7744 8.94439 51.7741 -63.2734 GPRESSURE: 466400 -110.197 -60.67 36.4447 6.51864 -5.46873 78.9971 28.6799 6.9178 -19.2018 PRESSAVG: 466400 -40.4739 26.0489 -64.78 26.0488 16.6058 -22.325 -64.7799 -22.3251 46.3302 GPRESSAVG: 466400 -40.2407 28.606 -62.092 25.1155 15.2432 -21.941 -64.0347 -23.6417 47.8275 TIMING: 466400 CPU: 1398.3, 0.00303541/step Wall: 1398.3, 0.00303541/step, 3.8226 hours remaining, 207.609375 MB of memory in use. ENERGY: 466400 755.4793 2128.8062 1924.1267 121.2318 -205847.2635 17568.8987 0.0000 0.0000 34417.3369 -148931.3838 300.5752 -183348.7208 -148832.5264 300.0420 -75.1592 -44.9557 556060.0934 7.4874 7.6100 PRESSURE: 466600 278.151 -37.4695 -15.1158 -37.4689 49.6815 -153.808 -15.1175 -153.809 -69.8303 GPRESSURE: 466600 355.584 -47.4447 5.89569 -20.7357 81.8887 -124.427 -35.8454 -203.682 -65.0243 PRESSAVG: 466600 48.9091 45.5103 -17.3939 45.5103 -49.2226 -31.4286 -17.3939 -31.4286 -19.5702 GPRESSAVG: 466600 49.1658 46.7864 -21.0121 47.9397 -47.2691 -31.7662 -16.1713 -29.2649 -21.3978 TIMING: 466600 CPU: 1398.9, 0.00300124/step Wall: 1398.9, 0.00300124/step, 3.7794 hours remaining, 207.609375 MB of memory in use. ENERGY: 466600 773.2880 2069.8710 1942.1192 127.4956 -206316.7592 17940.6752 0.0000 0.0000 34409.2641 -149054.0461 300.5047 -183463.3102 -148954.0795 300.1660 86.0009 124.1494 555483.7150 -6.6279 -6.5004 PRESSURE: 466800 -56.8987 -69.8323 51.5881 -69.8327 67.078 21.9998 51.5878 22.0006 -68.2583 GPRESSURE: 466800 -20.571 -141.782 67.9159 -84.9486 69.4416 91.6776 24.994 -40.8269 -7.34158 PRESSAVG: 466800 11.8737 11.872 -21.8003 11.8721 47.7066 5.9425 -21.8002 5.94248 -58.3714 GPRESSAVG: 466800 13.2074 9.79568 -19.0315 9.66556 46.2064 4.36698 -24.7459 6.32953 -57.8677 TIMING: 466800 CPU: 1399.5, 0.00300328/step Wall: 1399.5, 0.00300328/step, 3.7818 hours remaining, 207.609375 MB of memory in use. ENERGY: 466800 735.5081 2084.3312 1949.5008 113.2120 -206072.1942 17734.6575 0.0000 0.0000 34386.6965 -149068.2880 300.3076 -183454.9845 -148974.6907 299.7579 -19.3597 13.8430 556616.9095 0.4029 0.5154 PRESSURE: 467000 -296.064 44.4124 -137.187 44.4115 -15.1623 -11.8164 -137.188 -11.8157 -221.228 GPRESSURE: 467000 -239.044 70.1449 -100.23 111.711 -15.6108 -20.0291 -193.807 -36.8937 -179.47 PRESSAVG: 467000 68.6379 12.1849 -58.3358 12.185 -15.5682 -44.1845 -58.3358 -44.1845 -26.9511 GPRESSAVG: 467000 68.4695 14.2663 -57.1681 12.2986 -15.9541 -44.2859 -58.101 -45.2823 -26.4122 TIMING: 467000 CPU: 1400.11, 0.0030459/step Wall: 1400.11, 0.0030459/step, 3.83529 hours remaining, 207.609375 MB of memory in use. ENERGY: 467000 746.2151 2037.7729 1934.7109 117.5256 -206003.7087 17638.5643 0.0000 0.0000 34464.1875 -149064.7325 300.9843 -183528.9200 -148967.8436 299.8623 -177.4845 -144.7080 558821.1356 8.7062 8.7011 PRESSURE: 467200 -306.725 -52.8944 -35.8189 -52.8942 -108.577 26.7851 -35.8187 26.7844 106.188 GPRESSURE: 467200 -200.665 -83.4914 -37.1365 -125.397 -140.476 27.7572 49.4289 30.2338 128.559 PRESSAVG: 467200 -31.0228 -0.382648 -19.7435 -0.38278 54.421 -33.927 -19.7435 -33.9269 16.7847 GPRESSAVG: 467200 -31.3215 -2.77866 -22.3363 0.74117 54.6681 -31.9242 -18.1225 -33.0503 17.102 TIMING: 467200 CPU: 1400.72, 0.00304945/step Wall: 1400.72, 0.00304945/step, 3.83959 hours remaining, 207.609375 MB of memory in use. ENERGY: 467200 781.7010 2060.8663 1943.2290 110.7562 -205811.0509 17582.3749 0.0000 0.0000 34255.2801 -149076.8434 299.1599 -183332.1235 -148983.1737 299.6881 -103.0379 -70.8607 557927.2645 13.3943 13.4828 PRESSURE: 467400 -280.142 -50.1787 -75.9782 -50.1788 -501.151 -29.0609 -75.9776 -29.0616 47.7461 GPRESSURE: 467400 -233.315 -58.2255 -92.189 19.7043 -389.21 -76.8132 -79.8811 -31.9313 -8.04221 PRESSAVG: 467400 -39.0531 -12.9012 8.92697 -12.9013 33.6865 -45.7535 8.92705 -45.7534 5.19605 GPRESSAVG: 467400 -39.5928 -11.328 10.2726 -13.5057 34.5458 -47.9967 7.74151 -44.324 4.58332 TIMING: 467400 CPU: 1401.32, 0.00303074/step Wall: 1401.32, 0.00303074/step, 3.81587 hours remaining, 207.609375 MB of memory in use. ENERGY: 467400 736.2530 2053.2575 1941.9765 111.7739 -205494.7019 17339.2159 0.0000 0.0000 34281.5192 -149030.7059 299.3890 -183312.2251 -148931.5496 299.6418 -244.5158 -210.1893 558266.9411 -0.0568 -0.1546 PRESSURE: 467600 180.592 37.9314 8.16808 37.9318 -137.58 -141.022 8.16815 -141.022 90.4932 GPRESSURE: 467600 210.076 36.9409 -36.5029 -12.4766 -73.2219 -92.1412 -26.4353 -115.492 95.3497 PRESSAVG: 467600 28.8944 5.98299 -0.481253 5.98292 25.707 -76.1591 -0.481149 -76.1592 1.31058 GPRESSAVG: 467600 28.3237 5.79037 -1.90871 6.17629 25.4233 -77.1041 0.139613 -75.0817 2.49306 TIMING: 467600 CPU: 1401.92, 0.00299939/step Wall: 1401.92, 0.00299939/step, 3.77623 hours remaining, 207.609375 MB of memory in use. ENERGY: 467600 723.3741 2031.9692 1940.5572 112.5578 -206149.1129 17790.2471 0.0000 0.0000 34556.4607 -148993.9468 301.7902 -183550.4076 -148897.7269 299.9836 44.5017 77.4014 554813.3552 18.6373 18.7467 PRESSURE: 467800 101.611 -74.0441 29.3069 -74.0421 2.33379 -39.0913 29.3069 -39.0927 140.73 GPRESSURE: 467800 133.312 -139.138 77.8244 -34.073 18.1061 -58.4143 37.6787 -42.5038 196.668 PRESSAVG: 467800 11.5625 0.676971 -38.7932 0.676982 -8.99675 -1.36919 -38.7931 -1.36914 27.4752 GPRESSAVG: 467800 12.103 0.604187 -36.9544 0.602786 -8.97196 1.31527 -39.3505 -5.23412 26.6572 TIMING: 467800 CPU: 1402.53, 0.00304127/step Wall: 1402.53, 0.00304127/step, 3.82879 hours remaining, 207.609375 MB of memory in use. ENERGY: 467800 736.9294 2093.5766 1946.7576 115.9144 -206066.4370 17822.6902 0.0000 0.0000 34152.4188 -149198.1499 298.2616 -183350.5688 -149102.1789 299.6786 81.5582 116.0289 556396.8564 10.0136 9.9294 PRESSURE: 468000 106.161 103.18 22.6606 103.179 -200.914 53.8665 22.6618 53.8679 -21.318 GPRESSURE: 468000 127.738 107.288 35.0933 129.656 -172.378 74.5618 -27.8283 22.6562 31.3109 PRESSAVG: 468000 21.4316 32.1029 -7.93842 32.1029 -17.1751 22.4934 -7.93851 22.4933 16.6065 GPRESSAVG: 468000 21.8909 31.5962 -7.81942 32.3288 -17.2528 21.4224 -9.90408 24.1352 16.6985 TIMING: 468000 CPU: 1403.14, 0.00303097/step Wall: 1403.14, 0.00303097/step, 3.81565 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: 468000 742.8739 2006.9917 1969.8097 113.4175 -206255.2725 17868.6638 0.0000 0.0000 34185.4764 -149368.0395 298.5503 -183553.5159 -149269.9916 299.0143 -38.6903 -4.4431 557338.7092 6.9543 7.1122 PRESSURE: 468200 -2.32634 -58.0151 130.025 -58.015 205.659 21.2927 130.025 21.2946 29.8483 GPRESSURE: 468200 1.79217 -29.8695 86.9985 20.5366 237.91 -29.0963 55.1598 5.63439 95.122 PRESSAVG: 468200 -43.9412 51.1527 2.79168 51.1527 12.3113 -34.7257 2.7917 -34.7256 41.9209 GPRESSAVG: 468200 -43.794 52.4266 1.72268 49.1966 12.1459 -38.0312 2.89023 -32.2117 41.4349 TIMING: 468200 CPU: 1403.74, 0.00300784/step Wall: 1403.74, 0.00300784/step, 3.78637 hours remaining, 207.609375 MB of memory in use. ENERGY: 468200 727.9175 2046.5346 1937.2040 94.8299 -206267.8320 17895.7517 0.0000 0.0000 34193.9943 -149371.5999 298.6247 -183565.5942 -149279.8649 298.4080 77.7270 111.6081 556708.2814 3.4304 3.2623 LDB: ============= START OF LOAD BALANCING ============== 1407.26 LDB: ============== END OF LOAD BALANCING =============== 1407.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1407.26 LDB: ============= START OF LOAD BALANCING ============== 1407.56 LDB: Largest compute 4800 load 0.032193 is 27.3% of average load 0.117780 LDB: Average compute 0.001725 is 1.5% of average load 0.117780 LDB: TIME 1407.56 LOAD: AVG 0.11778 MAX 0.215922 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.906 MB LDB: TIME 1407.56 LOAD: AVG 0.11778 MAX 0.215922 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.109 MB LDB: TIME 1407.56 LOAD: AVG 0.11778 MAX 0.215922 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.109 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1407.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1407.57 PRESSURE: 468400 -173.101 -170.754 -33.3251 -170.753 -273.889 -26.5681 -33.326 -26.5663 -145.406 GPRESSURE: 468400 -149.013 -78.7001 -20.5447 -276.496 -225.201 -94.4278 -41.338 -45.5085 -118.949 PRESSAVG: 468400 52.5093 -15.7146 11.8293 -15.7147 -47.9442 -26.0743 11.8292 -26.0743 12.8013 GPRESSAVG: 468400 51.2044 -17.4809 10.9516 -14.526 -47.9086 -22.906 14.7296 -30.4255 13.9744 TIMING: 468400 CPU: 1404.35, 0.00307771/step Wall: 1404.35, 0.00307771/step, 3.87416 hours remaining, 207.726562 MB of memory in use. ENERGY: 468400 733.7785 2051.9926 1938.5081 109.9351 -206231.5632 17759.1142 0.0000 0.0000 34257.9151 -149380.3196 299.1829 -183638.2347 -149281.3829 299.1596 -197.4654 -164.3875 558097.7693 5.7888 5.7567 PRESSURE: 468600 -235.638 -42.9514 166.499 -42.95 -89.7647 -92.6618 166.499 -92.6591 118.755 GPRESSURE: 468600 -195.872 4.03379 91.9147 -0.0304287 -41.808 -67.8798 263.757 -79.7858 128.303 PRESSAVG: 468600 -25.0437 28.6912 32.4147 28.6912 -4.26482 -41.9631 32.4147 -41.9632 29.592 GPRESSAVG: 468600 -24.7834 31.2787 32.7786 27.7112 -4.00508 -40.5918 31.9189 -39.8841 29.1291 TIMING: 468600 CPU: 1404.95, 0.00299513/step Wall: 1404.95, 0.00299513/step, 3.77004 hours remaining, 207.726562 MB of memory in use. ENERGY: 468600 763.7158 2030.1352 1916.7777 122.6982 -206341.1627 17995.4514 0.0000 0.0000 34181.2745 -149331.1099 298.5136 -183512.3844 -149242.0556 298.6495 -68.8824 -36.4588 559252.4139 0.0945 0.1135 PRESSURE: 468800 -14.7351 47.9401 128.436 47.9406 -124.987 79.788 128.436 79.7885 -131.922 GPRESSURE: 468800 5.19089 13.1143 130.61 104.505 -86.3885 97.3357 96.746 57.5241 -95.0112 PRESSAVG: 468800 -29.7155 34.9916 51.239 34.9916 0.565095 -10.962 51.239 -10.9619 11.4787 GPRESSAVG: 468800 -29.815 33.1471 53.9578 36.7587 0.867796 -11.1396 49.181 -11.0569 11.5234 TIMING: 468800 CPU: 1405.56, 0.00302356/step Wall: 1405.56, 0.00302356/step, 3.80566 hours remaining, 207.726562 MB of memory in use. ENERGY: 468800 752.7810 2138.5022 1924.8312 105.2719 -206072.2448 17717.1780 0.0000 0.0000 34136.4970 -149297.1836 298.1225 -183433.6806 -149202.4938 298.8636 -90.5479 -58.7363 558356.3698 -5.8906 -5.8080 PRESSURE: 469000 169.071 -37.2702 44.9145 -37.2715 69.7225 -17.195 44.914 -17.1956 154.096 GPRESSURE: 469000 234.411 10.9741 49.666 -108.048 85.7343 -25.9585 -44.4732 -37.9124 157.97 PRESSAVG: 469000 74.8933 -25.0957 -29.038 -25.0958 -44.4255 -41.4598 -29.038 -41.4599 -35.319 GPRESSAVG: 469000 74.7417 -23.8432 -30.7692 -26.1861 -44.7422 -42.4807 -27.4599 -41.1891 -35.1214 TIMING: 469000 CPU: 1406.16, 0.00301105/step Wall: 1406.16, 0.00301105/step, 3.78974 hours remaining, 207.726562 MB of memory in use. ENERGY: 469000 736.7957 2067.2935 1936.6143 106.5164 -206495.3825 18063.3971 0.0000 0.0000 34276.1384 -149308.6271 299.3420 -183584.7655 -149212.4548 298.1232 130.9630 159.3716 556875.0354 -1.6171 -1.7073 PRESSURE: 469200 71.905 61.501 72.273 61.5008 24.9832 -81.8271 72.2735 -81.8258 -1.00529 GPRESSURE: 469200 58.208 153.229 38.0885 13.0019 16.5191 -136.044 102.388 -39.1444 113.914 PRESSAVG: 469200 66.1628 -24.486 -37.8162 -24.486 -27.9113 -22.723 -37.8162 -22.723 -52.1865 GPRESSAVG: 469200 66.5237 -24.3689 -39.9146 -25.585 -27.0231 -21.9898 -36.5797 -22.2894 -53.0053 TIMING: 469200 CPU: 1406.76, 0.00300835/step Wall: 1406.76, 0.00300835/step, 3.78618 hours remaining, 207.726562 MB of memory in use. ENERGY: 469200 743.7773 2052.6797 1948.1937 115.7295 -206396.8042 17944.2789 0.0000 0.0000 34303.1432 -149289.0018 299.5779 -183592.1450 -149195.1858 298.5681 31.9610 62.8802 557829.3605 -4.6450 -4.5016 PRESSURE: 469400 115.349 -12.1485 37.44 -12.1479 189.476 -14.5665 37.4399 -14.568 259.594 GPRESSURE: 469400 216.806 49.1735 76.8745 -7.34038 192.3 84.6887 98.0559 -157.432 247.766 PRESSAVG: 469400 13.125 8.74601 -55.1141 8.74602 -25.757 -43.3028 -55.1142 -43.3029 54.625 GPRESSAVG: 469400 14.0599 7.55601 -53.6242 9.43851 -27.3317 -43.2528 -56.8154 -44.0458 55.3001 TIMING: 469400 CPU: 1407.36, 0.00300439/step Wall: 1407.36, 0.00300439/step, 3.78102 hours remaining, 207.726562 MB of memory in use. ENERGY: 469400 716.7778 2049.4263 1961.7972 125.4959 -206467.0718 18227.5398 0.0000 0.0000 34045.7200 -149340.3148 297.3297 -183386.0348 -149243.8331 298.2012 188.1398 218.9572 556978.8543 13.9977 14.0095 PRESSURE: 469600 -174.139 -79.0869 -105.784 -79.0874 -88.849 86.8558 -105.784 86.8554 50.8822 GPRESSURE: 469600 -113.436 -35.989 -117.124 -141.734 -52.1178 14.3073 -51.7967 20.4183 55.4566 PRESSAVG: 469600 21.5681 -26.9863 12.0975 -26.9864 -20.4293 -12.6101 12.0975 -12.6099 -16.1841 GPRESSAVG: 469600 20.1017 -27.2862 13.5489 -26.6861 -19.0563 -13.8165 10.6339 -10.2416 -16.6517 TIMING: 469600 CPU: 1407.97, 0.00304778/step Wall: 1407.97, 0.00304778/step, 3.83546 hours remaining, 207.726562 MB of memory in use. ENERGY: 469600 716.3027 2009.7661 1942.8547 105.7907 -206041.9759 17634.8529 0.0000 0.0000 34290.6345 -149341.7743 299.4686 -183632.4088 -149246.9572 298.4896 -70.7020 -36.6989 557761.1655 -5.0151 -5.2021 PRESSURE: 469800 40.3155 52.8815 61.9093 52.8809 -0.622882 -47.9572 61.91 -47.9575 418.167 GPRESSURE: 469800 79.093 113.833 68.2835 118.018 38.1192 -80.7849 114.935 16.8692 429.202 PRESSAVG: 469800 -9.97182 -16.0765 76.7236 -16.0765 13.9064 -24.3593 76.7235 -24.3593 -8.58637 GPRESSAVG: 469800 -9.47952 -16.3619 76.2887 -16.2547 13.8576 -21.515 78.631 -26.726 -9.02422 TIMING: 469800 CPU: 1408.58, 0.00303436/step Wall: 1408.58, 0.00303436/step, 3.81841 hours remaining, 207.726562 MB of memory in use. ENERGY: 469800 705.1358 2018.8454 1960.0106 115.6585 -206657.9061 18123.4190 0.0000 0.0000 34434.9606 -149299.8764 300.7291 -183734.8369 -149203.3048 298.9675 152.6199 182.1379 556718.5110 -1.5506 -1.5487 PRESSURE: 470000 -75.7819 195.948 94.7199 195.948 -197.125 -89.3483 94.7203 -89.3487 46.0953 GPRESSURE: 470000 -62.4996 133.11 30.3429 237.824 -215.475 -92.853 63.9552 -56.9654 141.592 PRESSAVG: 470000 -33.3043 1.93594 48.9258 1.93606 6.04796 -39.8274 48.9257 -39.8275 32.3958 GPRESSAVG: 470000 -33.1256 3.36166 46.4442 1.1127 6.28925 -39.6791 50.4317 -42.9296 32.2876 TIMING: 470000 CPU: 1409.18, 0.00301033/step Wall: 1409.18, 0.00301033/step, 3.788 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: 470000 737.1812 2056.9596 1950.6388 101.2021 -206159.0504 17668.5463 0.0000 0.0000 34184.7923 -149459.7300 298.5443 -183644.5222 -149363.3558 298.9199 -75.6037 -45.4608 557569.4133 1.7131 1.8171 PRESSURE: 470200 165.292 -5.33833 42.0048 -5.33686 14.2114 175.281 42.0044 175.281 -71.7924 GPRESSURE: 470200 216.435 12.9003 1.01098 25.277 31.6356 173.005 12.2539 166.465 -45.7783 PRESSAVG: 470200 -38.8646 -10.3894 27.4266 -10.3893 48.4235 8.22125 27.4266 8.22127 31.6214 GPRESSAVG: 470200 -37.9717 -10.4528 28.7092 -12.3364 48.1287 7.45744 25.8601 10.697 31.0959 TIMING: 470200 CPU: 1409.78, 0.00297841/step Wall: 1409.78, 0.00297841/step, 3.74767 hours remaining, 207.726562 MB of memory in use. ENERGY: 470200 773.1401 2027.0964 1921.2047 93.2689 -206639.4059 18065.6520 0.0000 0.0000 34294.6402 -149464.4036 299.5036 -183759.0439 -149362.6260 298.4423 35.9035 67.4308 559485.0072 13.7268 13.7510 PRESSURE: 470400 5.97009 145.285 209.577 145.286 376.158 125.422 209.576 125.421 24.9989 GPRESSURE: 470400 -56.5091 124.027 129.605 72.3379 460.869 43.6698 218.392 155.575 85.1349 PRESSAVG: 470400 65.8698 -11.1503 16.5926 -11.1503 51.5232 20.423 16.5925 20.4229 -105.356 GPRESSAVG: 470400 64.886 -12.1187 16.5793 -6.84349 51.7626 18.6825 15.8294 20.5552 -104.601 TIMING: 470400 CPU: 1410.37, 0.00299362/step Wall: 1410.37, 0.00299362/step, 3.76664 hours remaining, 207.726562 MB of memory in use. ENERGY: 470400 707.2275 2071.2479 1941.5670 99.7786 -206793.6327 18004.2953 0.0000 0.0000 34410.2716 -149559.2449 300.5135 -183969.5164 -149458.5477 298.9737 135.7091 163.1649 555847.4446 4.0123 4.0159 PRESSURE: 470600 -444.54 45.1849 -174.589 45.1844 -86.4792 -79.4541 -174.588 -79.4511 -183.519 GPRESSURE: 470600 -373.281 58.8916 -146.738 74.6116 -85.7398 -127.523 -93.3103 -84.504 -158.9 PRESSAVG: 470600 -59.1902 -10.8131 28.7058 -10.8131 82.5714 37.4415 28.7058 37.4415 18.2329 GPRESSAVG: 470600 -59.3049 -9.73731 27.1379 -11.8458 82.7771 37.998 30.0164 37.4809 18.655 TIMING: 470600 CPU: 1410.98, 0.00300405/step Wall: 1410.98, 0.00300405/step, 3.7796 hours remaining, 207.726562 MB of memory in use. ENERGY: 470600 716.7807 2081.1363 1939.2574 114.7209 -206130.0807 17472.2517 0.0000 0.0000 34226.9209 -149579.0129 298.9122 -183805.9338 -149477.1272 298.0113 -238.1791 -205.9736 556450.8969 13.8714 14.0424 PRESSURE: 470800 -147.464 150.37 -112.493 150.368 -130.559 -77.2062 -112.492 -77.206 -154.656 GPRESSURE: 470800 -91.6392 117.381 -121.648 180.227 -136.684 -95.4878 -139.421 -81.716 -113.743 PRESSAVG: 470800 18.4643 42.4363 35.6893 42.4363 12.4371 -9.15994 35.6894 -9.15993 -43.0784 GPRESSAVG: 470800 19.9414 41.5889 37.0916 41.7506 12.8689 -10.5345 35.604 -9.1446 -45.0421 TIMING: 470800 CPU: 1411.57, 0.00296929/step Wall: 1411.57, 0.00296929/step, 3.7357 hours remaining, 207.726562 MB of memory in use. ENERGY: 470800 791.4176 1999.3186 1970.5171 103.7579 -206598.9238 17769.2607 0.0000 0.0000 34384.0151 -149580.6369 300.2842 -183964.6519 -149491.6954 298.5703 -144.2262 -114.0222 556280.6512 -4.0590 -4.0773 PRESSURE: 471000 -247.076 19.6976 -36.9359 19.6975 -57.322 -49.6017 -36.9349 -49.6003 -271.042 GPRESSURE: 471000 -176.638 4.29051 -52.4489 77.1039 -15.7946 -41.5745 -95.939 -19.4751 -263.512 PRESSAVG: 471000 -41.7514 -53.6097 -10.2432 -53.6097 -1.85042 -13.9022 -10.2431 -13.9022 15.7192 GPRESSAVG: 471000 -43.3143 -52.4289 -9.03115 -54.5286 -1.59548 -11.8583 -11.1788 -13.7242 17.283 TIMING: 471000 CPU: 1412.17, 0.00300019/step Wall: 1412.17, 0.00300019/step, 3.77441 hours remaining, 207.726562 MB of memory in use. ENERGY: 471000 781.9380 2048.5619 1972.1167 115.6619 -206048.9874 17413.5402 0.0000 0.0000 34043.9529 -149673.2157 297.3143 -183717.1686 -149573.9018 298.0038 -191.8135 -151.9815 557059.0782 -9.2942 -9.2089 PRESSURE: 471200 -13.599 8.97553 12.648 8.9752 -53.2668 -15.3722 12.649 -15.3727 -206.007 GPRESSURE: 471200 2.13724 -20.3406 47.5919 -57.7441 -13.1244 37.9242 -53.3024 -13.3318 -161.528 PRESSAVG: 471200 8.97002 -27.2709 0.296214 -27.2709 33.8806 35.0083 0.296294 35.0083 -4.40021 GPRESSAVG: 471200 9.98788 -27.0372 -1.13966 -26.2313 33.3157 34.2348 2.11157 34.86 -4.60378 TIMING: 471200 CPU: 1412.77, 0.00300243/step Wall: 1412.77, 0.00300243/step, 3.77705 hours remaining, 207.726562 MB of memory in use. ENERGY: 471200 756.0985 2074.6238 1954.2855 121.5122 -206971.7937 18074.8837 0.0000 0.0000 34180.7244 -149809.6657 298.5088 -183990.3902 -149712.0443 298.2994 -90.9576 -57.5049 557566.1806 12.8168 12.8999 PRESSURE: 471400 247.97 -26.7866 -81.5631 -26.7868 104.37 26.0487 -81.5628 26.0507 316.649 GPRESSURE: 471400 294.461 -25.9678 -46.3192 -0.271415 131.067 -100.153 -100.583 87.5097 340.143 PRESSAVG: 471400 28.2831 6.35226 31.1747 6.3522 -21.3829 -20.1438 31.1748 -20.1437 19.0546 GPRESSAVG: 471400 27.7079 4.2964 32.4171 4.91906 -21.8347 -18.9396 29.206 -20.7433 19.8456 TIMING: 471400 CPU: 1413.37, 0.00301137/step Wall: 1413.37, 0.00301137/step, 3.78813 hours remaining, 207.726562 MB of memory in use. ENERGY: 471400 754.1928 2083.4729 1965.0642 118.4173 -207124.4461 18268.7182 0.0000 0.0000 34125.0225 -149809.5583 298.0223 -183934.5808 -149711.0914 297.4677 222.9962 255.2238 555780.0888 8.6516 8.5729 PRESSURE: 471600 -216.624 -127.737 -99.8297 -127.738 109.909 78.5637 -99.8293 78.5643 -326.909 GPRESSURE: 471600 -173.079 -124.88 -139.821 -142.357 145.318 48.4169 -63.4195 64.8492 -312.961 PRESSAVG: 471600 -17.0014 32.5753 8.55676 32.5752 -1.84328 1.62463 8.55673 1.6245 30.2482 GPRESSAVG: 471600 -16.3796 32.4431 8.90213 34.504 -1.18557 0.186837 9.34794 1.91133 29.3986 TIMING: 471600 CPU: 1413.98, 0.00302785/step Wall: 1413.98, 0.00302785/step, 3.8087 hours remaining, 207.726562 MB of memory in use. ENERGY: 471600 765.4631 2031.7268 1929.5176 116.0492 -206683.6478 17865.8231 0.0000 0.0000 34153.4291 -149821.6390 298.2704 -183975.0681 -149714.7105 298.4339 -144.5413 -113.5741 556113.1132 3.8012 3.9445 PRESSURE: 471800 -185.32 50.8815 -80.0849 50.8807 -133.077 -161.338 -80.0856 -161.337 48.7426 GPRESSURE: 471800 -161.98 96.897 -123.715 -64.9408 -89.791 -111.01 -25.9985 -283.322 88.8429 PRESSAVG: 471800 23.9425 -0.485438 -42.2994 -0.485393 27.1253 -0.138051 -42.2994 -0.138061 -10.9893 GPRESSAVG: 471800 25.2145 1.09205 -43.8131 -1.69447 26.3088 0.216088 -42.7232 -1.07538 -11.7174 TIMING: 471800 CPU: 1414.58, 0.00301814/step Wall: 1414.58, 0.00301814/step, 3.79631 hours remaining, 207.726562 MB of memory in use. ENERGY: 471800 743.4196 2115.1869 1946.7837 118.0450 -206920.2482 17936.4326 0.0000 0.0000 34182.3861 -149877.9943 298.5233 -184060.3804 -149787.2018 298.1706 -89.8850 -54.3094 556566.3995 13.3595 13.2686 PRESSURE: 472000 -211.135 -194.963 117.452 -194.964 -158.606 17.7987 117.453 17.7979 -337.517 GPRESSURE: 472000 -169.705 -166.091 140.146 -233.078 -181.346 29.846 71.7164 43.1575 -256.454 PRESSAVG: 472000 -8.23243 -62.5919 -39.2347 -62.5918 15.1332 -13.964 -39.2347 -13.964 27.6988 GPRESSAVG: 472000 -8.99714 -61.5406 -39.5367 -62.3546 15.6922 -12.6271 -39.0058 -12.8665 27.7866 TIMING: 472000 CPU: 1415.18, 0.00300142/step Wall: 1415.18, 0.00300142/step, 3.77512 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: 472000 766.4767 2097.6342 1987.7604 114.3192 -206597.4626 17601.3970 0.0000 0.0000 34010.1476 -150019.7276 297.0191 -184029.8751 -149921.8760 297.7462 -235.7527 -202.5018 556565.7156 11.5332 11.4939 PRESSURE: 472200 89.8248 60.5471 -16.0606 60.5458 30.6873 169.091 -16.0612 169.092 -98.432 GPRESSURE: 472200 142.8 -66.1965 -40.7531 124.045 52.3553 224.933 -26.9047 85.5549 -55.811 PRESSAVG: 472200 27.6513 -0.734238 -2.56806 -0.734238 -41.5263 1.16271 -2.56813 1.16268 38.3711 GPRESSAVG: 472200 29.5934 -3.4606 -3.26275 1.81034 -42.5535 1.53476 -0.875697 0.315415 37.8286 TIMING: 472200 CPU: 1415.78, 0.00300066/step Wall: 1415.78, 0.00300066/step, 3.774 hours remaining, 207.726562 MB of memory in use. ENERGY: 472200 747.9256 2107.2956 1930.0582 110.0714 -207143.1306 18187.7279 0.0000 0.0000 34058.2403 -150001.8116 297.4391 -184060.0519 -149917.7119 296.8755 7.3600 46.4481 556709.9977 8.1654 8.2895 LDB: ============= START OF LOAD BALANCING ============== 1419.3 LDB: ============== END OF LOAD BALANCING =============== 1419.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1419.3 LDB: ============= START OF LOAD BALANCING ============== 1419.61 LDB: Largest compute 4800 load 0.032612 is 27.7% of average load 0.117767 LDB: Average compute 0.001731 is 1.5% of average load 0.117767 LDB: TIME 1419.61 LOAD: AVG 0.117767 MAX 0.214042 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.398 MB LDB: TIME 1419.61 LOAD: AVG 0.117767 MAX 0.214042 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.469 MB LDB: TIME 1419.61 LOAD: AVG 0.117767 MAX 0.214042 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.469 MB LDB: ============== END OF LOAD BALANCING =============== 1419.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1419.61 PRESSURE: 472400 49.1043 89.3213 39.328 89.3225 -306.76 -283.805 39.3269 -283.807 -86.4749 GPRESSURE: 472400 44.9437 134.486 46.6234 48.7531 -294.463 -221.494 19.5789 -344.425 -9.43972 PRESSAVG: 472400 57.1603 51.925 15.0303 51.9251 24.6534 -1.95217 15.0302 -1.9522 -56.6116 GPRESSAVG: 472400 55.999 51.5408 14.7373 51.7254 25.4485 -1.81355 14.6029 -2.89777 -56.0788 TIMING: 472400 CPU: 1416.4, 0.00307954/step Wall: 1416.4, 0.00307954/step, 3.87303 hours remaining, 206.253906 MB of memory in use. ENERGY: 472400 721.7837 2039.4539 1960.2766 99.5236 -206685.1964 17692.1124 0.0000 0.0000 34150.4116 -150021.6345 298.2440 -184172.0461 -149933.3080 296.7866 -114.7102 -86.3198 556999.5652 8.4007 8.4562 PRESSURE: 472600 57.5779 73.9218 -33.3177 73.922 -157.021 60.2832 -33.3182 60.2846 -136.886 GPRESSURE: 472600 62.8096 -8.69113 -76.4252 43.7618 -113.229 -20.7622 46.4704 94.1307 -91.8474 PRESSAVG: 472600 70.8381 40.2656 10.5021 40.2655 20.4868 -6.32726 10.502 -6.32722 -132.226 GPRESSAVG: 472600 70.6226 39.6319 11.2181 38.5369 20.0417 -5.47963 9.82258 -5.86698 -131.49 TIMING: 472600 CPU: 1417, 0.00303136/step Wall: 1417, 0.00303136/step, 3.81228 hours remaining, 206.457031 MB of memory in use. ENERGY: 472600 751.0914 2036.7055 1923.0504 110.4694 -206859.9465 17768.5552 0.0000 0.0000 34298.6145 -149971.4600 299.5383 -184270.0745 -149869.9296 296.8089 -78.7762 -47.4223 556876.1790 -13.6338 -13.6087 PRESSURE: 472800 213.865 146.321 -36.0282 146.32 78.7166 -189.313 -36.0293 -189.313 197.674 GPRESSURE: 472800 291.595 305.097 -39.512 135.592 66.0462 -115.218 -21.2605 -227.134 210.595 PRESSAVG: 472800 -38.9996 -13.2172 36.8178 -13.2172 -1.20819 -6.89682 36.8178 -6.89681 6.73476 GPRESSAVG: 472800 -38.6135 -12.406 36.3857 -12.6955 -1.22953 -7.5545 36.6249 -7.1425 6.09994 TIMING: 472800 CPU: 1417.61, 0.00304497/step Wall: 1417.61, 0.00304497/step, 3.82922 hours remaining, 206.457031 MB of memory in use. ENERGY: 472800 741.7645 2064.7271 1965.8977 103.9077 -206795.1893 17988.7357 0.0000 0.0000 34033.9333 -149896.2232 297.2268 -183930.1565 -149805.4335 297.1115 163.4186 189.4120 557199.4480 -11.1577 -11.2477 PRESSURE: 473000 -11.4213 -17.0577 14.601 -17.0576 -20.7577 -126.718 14.6011 -126.717 -106.967 GPRESSURE: 473000 33.0076 -53.721 15.926 9.77474 -21.7481 -123.077 -28.4343 -112.239 -57.1564 PRESSAVG: 473000 25.7883 43.1731 6.83874 43.1731 -34.2385 -40.2956 6.83876 -40.2956 10.0295 GPRESSAVG: 473000 25.2571 43.409 6.70914 44.1219 -34.0711 -42.589 5.90392 -37.4836 10.2818 TIMING: 473000 CPU: 1418.22, 0.00301669/step Wall: 1418.22, 0.00301669/step, 3.79349 hours remaining, 206.457031 MB of memory in use. ENERGY: 473000 751.1828 2099.4377 1929.3740 104.8904 -206803.4140 17998.3916 0.0000 0.0000 34071.8891 -149848.2483 297.5583 -183920.1374 -149755.2240 297.0356 -46.3819 -15.2990 557831.1445 0.5265 0.4893 PRESSURE: 473200 -107.06 -89.5112 100.54 -89.5116 -335.018 -52.1117 100.54 -52.1097 56.9863 GPRESSURE: 473200 -6.10026 -159.014 44.9346 -147.449 -302.224 -103.759 133.076 -127.681 19.0322 PRESSAVG: 473200 15.4741 -48.9016 22.4213 -48.9015 33.5179 -2.68339 22.4212 -2.68336 -28.1925 GPRESSAVG: 473200 15.6038 -50.3525 23.1567 -50.8346 32.7695 -3.62539 21.6083 -3.69503 -26.9764 TIMING: 473200 CPU: 1418.82, 0.00302662/step Wall: 1418.82, 0.00302662/step, 3.8058 hours remaining, 206.457031 MB of memory in use. ENERGY: 473200 775.4988 2076.9857 1929.0151 101.9953 -206490.6819 17824.5799 0.0000 0.0000 34222.5707 -149560.0363 298.8742 -183782.6070 -149474.7786 297.7671 -128.3640 -96.4308 556837.5318 6.9332 7.1323 PRESSURE: 473400 -10.3097 -3.21435 -19.1439 -3.21315 -133.317 16.8528 -19.1441 16.8521 -101.905 GPRESSURE: 473400 47.5774 -27.7836 30.2083 0.827781 -125.109 36.2219 -47.5382 -52.9001 -71.6502 PRESSAVG: 473400 25.5106 -62.0819 2.58363 -62.0819 28.3838 -52.356 2.58365 -52.3559 -63.375 GPRESSAVG: 473400 25.8242 -63.8526 4.37239 -60.4921 28.1225 -49.0462 1.42598 -52.9485 -63.816 TIMING: 473400 CPU: 1419.43, 0.0030229/step Wall: 1419.43, 0.0030229/step, 3.80096 hours remaining, 206.457031 MB of memory in use. ENERGY: 473400 755.0637 2074.0708 1929.4268 107.0237 -206197.3813 17691.1557 0.0000 0.0000 34191.8569 -149448.7837 298.6060 -183640.6406 -149350.4048 298.5872 -81.8439 -49.7274 558526.8399 -3.1602 -3.2898 PRESSURE: 473600 -211.897 -68.8835 189.889 -68.8832 -155.997 129.219 189.889 129.219 -38.5284 GPRESSURE: 473600 -172.51 -57.3262 185.704 -100.3 -47.5133 178.024 156.263 87.0811 -83.1885 PRESSAVG: 473600 15.6635 -16.8348 2.69191 -16.8347 33.9254 -0.611231 2.69181 -0.611211 -51.2103 GPRESSAVG: 473600 17.112 -15.3408 2.76693 -16.0337 32.9475 -1.29616 4.39371 -1.07826 -52.0159 TIMING: 473600 CPU: 1420.03, 0.00301582/step Wall: 1420.03, 0.00301582/step, 3.79189 hours remaining, 206.457031 MB of memory in use. ENERGY: 473600 763.8103 2060.3169 1935.3981 114.7761 -206165.7643 17606.7153 0.0000 0.0000 34164.1072 -149520.6405 298.3636 -183684.7476 -149419.8994 298.4731 -135.4741 -101.0705 557727.6000 -0.5405 -0.6521 PRESSURE: 473800 233.834 -78.7437 133.753 -78.7431 271.222 10.7103 133.753 10.7087 237.932 GPRESSURE: 473800 272.887 -50.9319 81.8054 -106.239 271.388 2.3402 171.762 62.7506 292.984 PRESSAVG: 473800 0.0823665 -20.9296 21.6056 -20.9296 -5.24124 -36.5342 21.6055 -36.5342 41.7213 GPRESSAVG: 473800 -1.70066 -19.6866 21.2075 -22.3546 -3.6149 -38.6989 23.1526 -34.1312 42.2703 TIMING: 473800 CPU: 1420.63, 0.00298263/step Wall: 1420.63, 0.00298263/step, 3.75 hours remaining, 206.457031 MB of memory in use. ENERGY: 473800 710.8555 2054.3102 1950.5452 94.0718 -206716.1847 18055.3299 0.0000 0.0000 34398.8490 -149452.2231 300.4137 -183851.0721 -149352.4918 298.3826 247.6628 279.0861 555582.2532 12.1875 12.3183 PRESSURE: 474000 132.909 44 -88.5921 43.999 -35.4489 -127.775 -88.5938 -127.775 375.245 GPRESSURE: 474000 156.68 42.3318 -147.188 105.116 -38.3944 -110.761 -69.8712 -163.076 444.644 PRESSAVG: 474000 51.7466 -11.4901 -13.501 -11.4901 -32.0793 53.0685 -13.5011 53.0685 9.77031 GPRESSAVG: 474000 51.7435 -12.7978 -15.1784 -11.0293 -32.5434 55.7899 -13.2484 52.5102 10.1117 TIMING: 474000 CPU: 1421.22, 0.00298163/step Wall: 1421.22, 0.00298163/step, 3.74857 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: 474000 740.0953 2077.7651 1933.3967 110.7673 -206666.7317 18035.2580 0.0000 0.0000 34253.1769 -149516.2723 299.1415 -183769.4492 -149423.9970 298.8491 157.5684 187.6434 556449.1636 9.8125 9.7706 PRESSURE: 474200 47.3285 -178.65 25.8098 -178.649 -58.5976 -39.2506 25.8101 -39.2488 -1.56607 GPRESSURE: 474200 76.6296 -184.766 -6.0484 -182.089 -33.9998 0.647536 41.3883 -112.393 46.2384 PRESSAVG: 474200 55.2074 -22.2738 23.821 -22.2739 -15.7828 -41.7349 23.821 -41.735 -2.26879 GPRESSAVG: 474200 56.8789 -22.0144 23.7906 -22.2725 -16.2517 -43.275 22.8516 -43.0214 -3.46405 TIMING: 474200 CPU: 1421.82, 0.00299496/step Wall: 1421.82, 0.00299496/step, 3.76517 hours remaining, 206.457031 MB of memory in use. ENERGY: 474200 758.7275 1973.1729 1964.4212 109.5992 -206263.4938 17904.8220 0.0000 0.0000 34019.7734 -149532.9776 297.1031 -183552.7510 -149435.4743 298.3112 -4.2784 29.6227 557157.9820 12.3853 12.3877 PRESSURE: 474400 -105.983 26.8263 -98.586 26.8254 -369.952 -49.3087 -98.5869 -49.3085 168.732 GPRESSURE: 474400 -65.6541 14.515 -53.7686 93.7804 -297.677 -31.2438 -148.274 -145.162 155.532 PRESSAVG: 474400 7.46753 -45.7895 -7.19973 -45.7896 -18.0793 -34.8843 -7.19973 -34.8843 8.06315 GPRESSAVG: 474400 6.91289 -46.6852 -7.25561 -46.5144 -17.7797 -35.0139 -7.7411 -33.9434 8.22841 TIMING: 474400 CPU: 1422.42, 0.00299483/step Wall: 1422.42, 0.00299483/step, 3.76483 hours remaining, 206.457031 MB of memory in use. ENERGY: 474400 785.3769 2045.5089 1931.7112 104.5023 -206169.3212 17925.8602 0.0000 0.0000 33842.4015 -149533.9602 295.5541 -183376.3617 -149439.5644 297.8497 -102.4010 -69.2664 558188.5463 -0.8495 -0.8795 PRESSURE: 474600 -252.461 72.7807 -9.05163 72.7827 93.3795 -99.8205 -9.05195 -99.8207 -159.37 GPRESSURE: 474600 -239.96 -31.0391 -42.022 129.125 130.733 -27.8721 -36.0981 -158.063 -120.982 PRESSAVG: 474600 -46.3421 8.47267 1.19871 8.4727 36.2098 -35.9447 1.19872 -35.9448 54.5857 GPRESSAVG: 474600 -45.8462 9.26637 1.22884 8.13893 35.4952 -36.6281 2.92968 -34.1089 54.5872 TIMING: 474600 CPU: 1423.02, 0.0029917/step Wall: 1423.02, 0.0029917/step, 3.76074 hours remaining, 206.457031 MB of memory in use. ENERGY: 474600 718.6914 2042.2706 1944.9326 110.9360 -206237.2926 17816.2829 0.0000 0.0000 34149.3847 -149454.7944 298.2351 -183604.1791 -149360.3026 298.0531 -106.1505 -76.7364 558943.8631 14.8178 14.7454 PRESSURE: 474800 -46.4245 -198.751 -165.481 -198.751 -68.3664 135.362 -165.482 135.361 235.453 GPRESSURE: 474800 50.445 -204.864 -180.574 -99.313 -24.1705 172.828 -142.341 107.694 205.151 PRESSAVG: 474800 -53.8244 -15.755 7.31338 -15.755 59.1768 0.776015 7.31329 0.776073 5.14414 GPRESSAVG: 474800 -54.5426 -15.619 7.43113 -13.7698 59.6212 -0.219213 6.15276 -2.59756 5.01154 TIMING: 474800 CPU: 1423.62, 0.00299773/step Wall: 1423.62, 0.00299773/step, 3.76815 hours remaining, 206.457031 MB of memory in use. ENERGY: 474800 746.0323 2024.1764 1943.5171 100.6133 -206532.4623 18231.4509 0.0000 0.0000 34038.9605 -149447.7118 297.2707 -183486.6723 -149359.6891 298.1164 40.2207 77.1418 559394.5265 3.4988 3.3634 PRESSURE: 475000 -165.225 -68.6459 155.094 -68.6458 -67.5315 -12.2242 155.095 -12.2232 61.4319 GPRESSURE: 475000 -95.2021 -99.3473 168.358 -117.172 -96.2138 -22.5954 163.713 92.0238 114.995 PRESSAVG: 475000 5.35731 -51.8757 59.4793 -51.8758 25.2272 14.9628 59.4793 14.9628 -26.5363 GPRESSAVG: 475000 4.32406 -49.8811 59.4348 -54.5415 25.7424 15.0954 60.6776 16.8486 -26.1786 TIMING: 475000 CPU: 1424.22, 0.0030266/step Wall: 1424.22, 0.0030266/step, 3.80427 hours remaining, 206.457031 MB of memory in use. ENERGY: 475000 754.3486 2038.5289 1958.5313 119.4534 -206574.1451 17960.8883 0.0000 0.0000 34175.2056 -149567.1890 298.4606 -183742.3946 -149472.3168 298.2477 -57.1082 -25.4735 559403.5769 1.3494 1.2959 PRESSURE: 475200 11.8885 -123.917 -8.71868 -123.916 89.5673 25.0523 -8.71906 25.0523 -45.0438 GPRESSURE: 475200 -39.5047 -6.21741 -44.0123 -134.702 151.086 -66.782 -8.98029 115.107 41.6433 PRESSAVG: 475200 17.0611 31.4559 50.0983 31.4559 15.3563 -27.7947 50.0982 -27.7947 -22.1206 GPRESSAVG: 475200 18.4705 31.2355 50.4931 31.253 14.1615 -26.8775 49.2837 -27.9233 -21.8865 TIMING: 475200 CPU: 1424.83, 0.00304184/step Wall: 1424.83, 0.00304184/step, 3.82326 hours remaining, 206.457031 MB of memory in use. ENERGY: 475200 709.2011 2112.9488 1946.9349 110.4521 -206722.9361 17862.9799 0.0000 0.0000 34188.0198 -149792.3994 298.5725 -183980.4192 -149695.1323 297.7259 18.8040 51.0749 558413.1946 3.4322 3.5818 PRESSURE: 475400 -2.65188 -11.0462 -80.6463 -11.0459 -8.85385 48.5648 -80.6463 48.5655 136.532 GPRESSURE: 475400 -32.7489 59.5854 -39.4839 -83.4229 59.8387 -9.11548 -171.401 22.2891 185.359 PRESSAVG: 475400 84.1281 -1.01836 42.19 -1.01829 -28.925 -17.6862 42.1899 -17.6862 -27.0538 GPRESSAVG: 475400 83.1868 -1.67627 45.581 -0.344082 -27.6865 -18.5185 38.4227 -18.462 -27.2824 TIMING: 475400 CPU: 1425.44, 0.00303526/step Wall: 1425.44, 0.00303526/step, 3.81481 hours remaining, 206.457031 MB of memory in use. ENERGY: 475400 715.7261 2076.8800 1925.6286 114.0534 -206829.8344 18084.0549 0.0000 0.0000 34114.7461 -149798.7452 297.9326 -183913.4913 -149693.6500 297.9857 41.6756 70.8164 557162.1580 9.3831 9.4060 PRESSURE: 475600 -86.0856 200.599 54.1244 200.599 -99.3476 -91.1375 54.1241 -91.1366 -239.693 GPRESSURE: 475600 -6.3366 196.326 90.2559 157.363 -63.9008 -25.194 41.4286 -72.139 -267.696 PRESSAVG: 475600 30.1142 29.5527 5.23793 29.5526 16.8509 -74.6556 5.23785 -74.6555 -62.5827 GPRESSAVG: 475600 30.3372 28.9821 1.43682 28.2468 17.0815 -73.2638 10.4936 -76.8683 -62.6977 TIMING: 475600 CPU: 1426.04, 0.00300297/step Wall: 1426.04, 0.00300297/step, 3.77407 hours remaining, 206.457031 MB of memory in use. ENERGY: 475600 753.9760 2058.5827 1923.8209 108.7587 -206558.2555 17769.1641 0.0000 0.0000 34111.9179 -149832.0353 297.9079 -183943.9531 -149728.6547 297.8366 -141.7088 -112.6446 556422.1837 -5.2058 -5.0930 PRESSURE: 475800 79.4062 53.6652 59.7406 53.6645 -344.895 62.9841 59.7396 62.9831 -221.454 GPRESSURE: 475800 92.766 96.1895 89.4245 97.7008 -346.998 77.6387 58.792 87.7794 -152.147 PRESSAVG: 475800 34.9731 9.48278 17.1982 9.48277 28.309 17.4644 17.1983 17.4643 -65.8804 GPRESSAVG: 475800 36.8995 7.8682 19.273 11.1794 27.892 17.4999 14.9882 18.121 -66.4754 TIMING: 475800 CPU: 1426.64, 0.0030239/step Wall: 1426.64, 0.0030239/step, 3.8002 hours remaining, 206.457031 MB of memory in use. ENERGY: 475800 808.3578 2077.6112 1951.6200 119.0299 -206525.2649 17818.9302 0.0000 0.0000 33922.6470 -149827.0688 296.2549 -183749.7157 -149724.5470 297.9177 -162.3141 -135.4597 557823.0643 -0.8661 -0.5613 PRESSURE: 476000 42.4487 52.7563 -265.862 52.7577 66.1871 -46.7933 -265.862 -46.7949 175.145 GPRESSURE: 476000 99.2665 115.077 -326.416 41.3088 97.8314 -129.21 -284.151 26.2948 180.478 PRESSAVG: 476000 50.0202 9.67774 -9.61839 9.67763 5.02342 53.7558 -9.61837 53.7557 -70.2492 GPRESSAVG: 476000 48.9314 11.3822 -9.78581 9.77079 6.62602 53.6456 -9.91802 55.0911 -70.6699 TIMING: 476000 CPU: 1427.26, 0.00305377/step Wall: 1427.26, 0.00305377/step, 3.83757 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: 476000 752.2456 2051.9908 1945.0550 111.9308 -206853.3944 18067.6617 0.0000 0.0000 34061.5956 -149862.9150 297.4684 -183924.5106 -149774.1707 297.3479 94.5936 125.8586 554596.7132 -5.0685 -5.0375 PRESSURE: 476200 -170.791 -68.4617 186.578 -68.4627 -373.827 -25.5038 186.576 -25.503 -105.357 GPRESSURE: 476200 -159.16 -30.5742 172.403 -111.884 -292.578 45.6179 109.063 57.7702 -105.224 PRESSAVG: 476200 23.2037 -0.112536 30.7048 -0.112571 10.6024 -42.0412 30.7047 -42.0412 -29.1262 GPRESSAVG: 476200 23.3467 1.31665 29.3847 -2.09129 9.71412 -42.7753 32.6167 -42.6829 -28.7061 TIMING: 476200 CPU: 1427.86, 0.00304174/step Wall: 1427.86, 0.00304174/step, 3.82228 hours remaining, 206.457031 MB of memory in use. ENERGY: 476200 732.5324 2100.4965 1917.7375 106.0247 -206539.3279 17560.9540 0.0000 0.0000 34232.0490 -149889.5338 298.9570 -184121.5827 -149797.2511 298.0559 -216.6585 -185.6538 556973.7822 1.5599 1.4515 LDB: ============= START OF LOAD BALANCING ============== 1431.38 LDB: ============== END OF LOAD BALANCING =============== 1431.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1431.38 LDB: ============= START OF LOAD BALANCING ============== 1431.69 LDB: Largest compute 4800 load 0.032330 is 27.4% of average load 0.117922 LDB: Average compute 0.001726 is 1.5% of average load 0.117922 LDB: TIME 1431.69 LOAD: AVG 0.117922 MAX 0.215479 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.773 MB LDB: TIME 1431.69 LOAD: AVG 0.117922 MAX 0.215479 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.777 MB LDB: TIME 1431.69 LOAD: AVG 0.117922 MAX 0.215479 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.777 MB LDB: ============== END OF LOAD BALANCING =============== 1431.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1431.7 PRESSURE: 476400 119.813 108.862 -82.277 108.863 149.183 -60.2527 -82.2767 -60.252 -49.2636 GPRESSURE: 476400 205.722 187.738 26.3659 18.0951 195.004 -39.9935 -36.771 -73.5492 -87.8671 PRESSAVG: 476400 17.5435 31.1545 36.7116 31.1545 4.90246 19.3132 36.7116 19.3131 -48.0455 GPRESSAVG: 476400 17.0071 30.6179 38.856 32.0772 5.16203 20.2302 35.1565 17.4828 -48.2559 TIMING: 476400 CPU: 1428.48, 0.00308236/step Wall: 1428.48, 0.00308236/step, 3.87315 hours remaining, 208.042969 MB of memory in use. ENERGY: 476400 764.6859 2095.8947 1940.3264 115.5959 -206721.0362 18039.3403 0.0000 0.0000 33997.0844 -149768.1087 296.9050 -183765.1930 -149666.2128 298.0582 73.2438 104.2861 557651.5299 -8.5332 -8.6956 PRESSURE: 476600 -100.652 -3.90756 -94.8634 -3.90837 268.405 -61.9876 -94.8649 -61.9887 53.2923 GPRESSURE: 476600 -59.6121 -64.2378 -59.5131 45.1267 336.234 -60.0241 -146.915 -92.1682 55.2273 PRESSAVG: 476600 -84.3786 -14.5077 -42.3392 -14.5077 56.2424 3.35894 -42.3392 3.35889 8.31453 GPRESSAVG: 476600 -84.3576 -17.0717 -43.9636 -13.0798 55.9005 4.48204 -38.982 2.65967 8.99304 TIMING: 476600 CPU: 1429.09, 0.00304836/step Wall: 1429.09, 0.00304836/step, 3.83026 hours remaining, 208.246094 MB of memory in use. ENERGY: 476600 740.2120 2083.7637 1949.4757 104.6452 -206581.5299 17827.4409 0.0000 0.0000 34035.6748 -149840.3174 297.2420 -183875.9922 -149744.5849 298.0160 73.6819 110.6164 555202.7613 -6.6073 -6.4880 PRESSURE: 476800 -186.53 63.4366 -109.342 63.4376 -169.077 31.4741 -109.341 31.4733 162.96 GPRESSURE: 476800 -139.763 39.6755 -58.0856 20.5703 -162.574 20.1627 -94.4135 39.5343 215.146 PRESSAVG: 476800 -2.98821 -41.4286 -25.3411 -41.4285 11.7127 17.4556 -25.341 17.4555 5.16558 GPRESSAVG: 476800 -1.68127 -38.6186 -25.1314 -41.2117 10.9868 16.3261 -25.5517 20.038 4.37944 TIMING: 476800 CPU: 1429.7, 0.00305028/step Wall: 1429.7, 0.00305028/step, 3.83251 hours remaining, 208.246094 MB of memory in use. ENERGY: 476800 771.5933 2115.3711 1927.2036 105.3786 -206401.3662 17738.5685 0.0000 0.0000 33954.9184 -149788.3328 296.5367 -183743.2512 -149690.3472 297.5955 -64.2155 -29.0636 556239.7422 4.6300 4.5616 PRESSURE: 477000 -144.718 7.12727 -14.4561 7.12761 21.1798 97.2931 -14.4558 97.2933 52.7839 GPRESSURE: 477000 -90.1181 -9.60156 66.2812 35.3364 100.278 85.3515 -124.609 83.1772 24.4531 PRESSAVG: 477000 -3.30848 -13.1228 -24.8106 -13.1228 -23.6453 -37.413 -24.8105 -37.4131 25.793 GPRESSAVG: 477000 -4.68869 -15.4401 -23.15 -11.7866 -22.93 -38.1338 -27.4063 -37.2287 26.5844 TIMING: 477000 CPU: 1430.31, 0.00306299/step Wall: 1430.31, 0.00306299/step, 3.84831 hours remaining, 208.246094 MB of memory in use. ENERGY: 477000 721.2509 2074.8649 1935.3402 110.3395 -206558.4328 17867.9616 0.0000 0.0000 33965.0692 -149883.6065 296.6254 -183848.6757 -149784.6358 296.7898 -23.5848 11.5377 557126.6141 -0.3869 -0.3447 PRESSURE: 477200 107.835 -63.1738 17.4836 -63.1748 114.188 113.587 17.4841 113.586 -105.387 GPRESSURE: 477200 172.595 0.396571 -31.4792 -67.8819 138.511 27.8687 35.5595 180.291 -106.11 PRESSAVG: 477200 8.30341 33.1213 23.3861 33.1211 -6.77073 -32.2922 23.3862 -32.2923 19.7619 GPRESSAVG: 477200 7.01098 35.0219 21.2063 30.788 -6.74553 -31.2886 26.4669 -35.5654 20.8296 TIMING: 477200 CPU: 1430.92, 0.00304889/step Wall: 1430.92, 0.00304889/step, 3.83042 hours remaining, 208.246094 MB of memory in use. ENERGY: 477200 734.4739 2102.3212 1906.6241 112.6171 -207155.3911 18250.7993 0.0000 0.0000 34210.8302 -149837.7253 298.7717 -184048.5555 -149741.6221 297.2492 38.8788 68.3319 555760.2479 7.0982 7.0317 PRESSURE: 477400 70.9518 37.6001 -41.6907 37.5997 167.954 -141.373 -41.6913 -141.372 5.27934 GPRESSURE: 477400 85.0263 79.3143 -53.5097 -0.927247 221.037 -113.043 -41.5831 -158.271 40.5088 PRESSAVG: 477400 -1.80357 45.1441 -5.91606 45.1442 -8.80703 10.8576 -5.91627 10.8576 -12.6232 GPRESSAVG: 477400 0.155162 44.6236 -4.19248 45.46 -8.3406 11.1244 -10.2534 14.1866 -14.6071 TIMING: 477400 CPU: 1431.52, 0.00301362/step Wall: 1431.52, 0.00301362/step, 3.78595 hours remaining, 208.246094 MB of memory in use. ENERGY: 477400 746.5458 2118.7840 1945.7543 118.5277 -206977.2252 18033.1565 0.0000 0.0000 34115.5478 -149898.9090 297.9396 -184014.4568 -149803.0785 297.0984 81.3949 115.5241 555426.6809 -7.7446 -7.5975 PRESSURE: 477600 60.925 128.29 95.9452 128.29 73.4835 -14.1281 95.9461 -14.1293 -178.393 GPRESSURE: 477600 118.916 160.319 36.4838 54.02 24.7717 21.3479 106.53 -27.6209 -77.6981 PRESSAVG: 477600 35.6163 41.0509 -3.75929 41.0509 -38.6284 11.8048 -3.75932 11.8048 -13.9076 GPRESSAVG: 477600 35.3723 40.7492 -5.32633 42.1401 -38.5284 10.4037 -1.56089 10.0424 -13.9214 TIMING: 477600 CPU: 1432.12, 0.00299829/step Wall: 1432.12, 0.00299829/step, 3.76652 hours remaining, 208.246094 MB of memory in use. ENERGY: 477600 773.5046 2095.8286 1943.5784 122.3414 -206871.5884 18047.8545 0.0000 0.0000 34094.3796 -149794.1014 297.7547 -183888.4810 -149703.9247 297.6373 -14.6614 21.9966 557487.3373 -5.6399 -5.6925 PRESSURE: 477800 317.717 -122.916 42.0073 -122.916 -36.3719 42.0047 42.0089 42.0054 -235.619 GPRESSURE: 477800 321.599 -126.339 -18.7193 -77.3732 62.8505 -14.7652 22.1994 96.1541 -234.504 PRESSAVG: 477800 5.00413 -59.7033 55.505 -59.7033 48.2192 5.87962 55.5051 5.87959 -11.5973 GPRESSAVG: 477800 4.93954 -58.0174 57.3769 -60.737 47.9148 6.38951 56.0799 9.17923 -10.8288 TIMING: 477800 CPU: 1432.73, 0.00304584/step Wall: 1432.73, 0.00304584/step, 3.82609 hours remaining, 208.246094 MB of memory in use. ENERGY: 477800 745.2321 2104.5317 1956.0635 110.5947 -206782.7868 17945.5675 0.0000 0.0000 34078.3119 -149842.4854 297.6144 -183920.7973 -149745.4191 298.2022 15.2421 49.9817 557011.2926 13.8753 14.0085 PRESSURE: 478000 247.232 -57.1984 -33.591 -57.1978 -4.03158 55.1624 -33.5913 55.1628 262.181 GPRESSURE: 478000 254.201 -102.551 32.6869 -8.33177 50.0927 94.5301 -61.3284 64.4025 301.534 PRESSAVG: 478000 11.8414 40.7732 7.24304 40.7732 -42.7473 26.6549 7.24305 26.6549 -2.09204 GPRESSAVG: 478000 11.9712 40.4841 6.44142 38.5201 -42.4999 25.8156 8.72165 26.4963 -2.40992 TIMING: 478000 CPU: 1433.34, 0.00302566/step Wall: 1433.34, 0.00302566/step, 3.80056 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: 478000 735.1975 2107.7663 1952.9715 119.9269 -206997.2727 18095.3426 0.0000 0.0000 34170.2347 -149815.8332 298.4172 -183986.0679 -149715.4092 297.9226 168.4606 201.9423 555541.0327 -10.9993 -10.9795 PRESSURE: 478200 -55.0207 107.523 175.244 107.523 -31.7251 -125.063 175.243 -125.062 0.141876 GPRESSURE: 478200 -57.4631 67.1366 189.835 61.0334 4.59603 -94.8666 52.8597 -108.007 63.0684 PRESSAVG: 478200 -25.3354 5.49662 -47.7964 5.49672 19.503 -33.3352 -47.7965 -33.3352 -15.9835 GPRESSAVG: 478200 -25.8954 3.09743 -47.2104 8.05578 19.7407 -33.0418 -50.5281 -34.6891 -15.6549 TIMING: 478200 CPU: 1433.94, 0.00300766/step Wall: 1433.94, 0.00300766/step, 3.77779 hours remaining, 208.246094 MB of memory in use. ENERGY: 478200 733.5316 2077.2412 1956.6807 111.7925 -206616.8068 17994.2871 0.0000 0.0000 33872.4489 -149870.8247 295.8165 -183743.2736 -149774.2853 297.3586 -28.8680 3.4004 558328.2724 -7.2720 -7.2699 PRESSURE: 478400 -111.589 -11.6595 -66.4888 -11.6578 -89.4248 38.0086 -66.4891 38.0093 294.117 GPRESSURE: 478400 -79.8663 -46.9679 20.0965 14.3967 2.25561 5.84229 -130.226 43.1851 260.332 PRESSAVG: 478400 -44.3566 -17.2723 9.83367 -17.2723 -28.5722 38.9778 9.83373 38.9777 10.6779 GPRESSAVG: 478400 -43.1803 -17.0115 9.63327 -17.3608 -29.4176 40.0923 9.08336 38.4916 9.82583 TIMING: 478400 CPU: 1434.55, 0.0030599/step Wall: 1434.55, 0.0030599/step, 3.84324 hours remaining, 208.246094 MB of memory in use. ENERGY: 478400 737.0604 2108.8169 1959.0629 122.9109 -206638.4028 17834.5843 0.0000 0.0000 34007.5157 -149868.4517 296.9961 -183875.9674 -149776.0572 297.0915 31.0342 60.9072 556642.2759 -20.7503 -20.9240 PRESSURE: 478600 -82.0209 19.1764 14.2658 19.1764 -6.1215 -25.764 14.2661 -25.7645 -214.68 GPRESSURE: 478600 -77.995 8.7917 4.12211 16.0112 15.2572 -17.5537 3.01932 -3.29095 -136.399 PRESSAVG: 478600 -55.6307 -13.9668 -38.4695 -13.9668 3.09152 -52.6265 -38.4694 -52.6266 99.1665 GPRESSAVG: 478600 -55.6142 -13.9366 -39.2861 -15.3724 3.82776 -53.4955 -36.4188 -52.206 98.6262 TIMING: 478600 CPU: 1435.16, 0.00302815/step Wall: 1435.16, 0.00302815/step, 3.80319 hours remaining, 208.246094 MB of memory in use. ENERGY: 478600 783.8654 2070.3157 1939.6367 114.4733 -206479.1706 17807.1535 0.0000 0.0000 33960.5339 -149803.1919 296.5858 -183763.7258 -149703.6813 297.4732 -100.9407 -66.3791 559057.0014 15.5424 15.6132 PRESSURE: 478800 -226.764 69.7184 43.022 69.7178 182.341 43.0719 43.0217 43.0729 170.185 GPRESSURE: 478800 -207.747 103.449 28.4024 21.2757 249.701 26.2743 110.037 -9.6201 177.753 PRESSAVG: 478800 30.1138 -17.7298 -9.58128 -17.7298 -26.8185 8.65607 -9.58122 8.65608 -12.5883 GPRESSAVG: 478800 30.2705 -16.2731 -8.26044 -17.9957 -27.5293 6.94675 -11.4129 9.89436 -11.6691 TIMING: 478800 CPU: 1435.76, 0.00301463/step Wall: 1435.76, 0.00301463/step, 3.78604 hours remaining, 208.246094 MB of memory in use. ENERGY: 478800 730.8676 2073.3631 1929.4890 118.6365 -206381.3866 17813.3666 0.0000 0.0000 34140.9307 -149574.7332 298.1612 -183715.6639 -149479.6781 297.7905 41.9206 73.2357 557771.5757 -3.0977 -2.9760 PRESSURE: 479000 -341.726 -43.7068 61.3219 -43.706 -3.88283 -0.913209 61.3229 -0.915203 91.2532 GPRESSURE: 479000 -286.518 -50.8915 48.2666 -86.0511 31.7208 0.255847 48.3959 -53.1701 88.7825 PRESSAVG: 479000 3.89349 34.9597 6.2535 34.9597 -41.6604 27.4654 6.25358 27.4654 74.1213 GPRESSAVG: 479000 4.58584 34.0492 5.28219 36.4967 -42.2325 29.4258 6.87215 25.5326 74.0302 TIMING: 479000 CPU: 1436.37, 0.00302753/step Wall: 1436.37, 0.00302753/step, 3.80208 hours remaining, 208.246094 MB of memory in use. ENERGY: 479000 760.3995 2058.6101 1949.5295 114.1469 -206338.8228 17841.6661 0.0000 0.0000 34099.5042 -149514.9666 297.7995 -183614.4707 -149411.6962 298.8407 -84.7852 -55.3382 558177.0506 12.1181 12.1278 PRESSURE: 479200 246.025 65.705 -35.2784 65.7053 -69.6902 -2.68833 -35.2783 -2.68697 -48.0539 GPRESSURE: 479200 288.188 62.5016 -90.1262 134.08 -33.1456 68.8163 20.2248 -55.4832 -42.6276 PRESSAVG: 479200 0.177136 -9.07824 -23.3201 -9.07818 -11.0551 -5.48259 -23.3201 -5.48257 -9.37137 GPRESSAVG: 479200 0.756465 -8.10651 -23.0001 -9.46694 -9.60638 -3.69844 -23.3666 -6.33791 -11.0484 TIMING: 479200 CPU: 1436.97, 0.00302251/step Wall: 1436.97, 0.00302251/step, 3.7956 hours remaining, 208.246094 MB of memory in use. ENERGY: 479200 717.9015 2053.6060 1946.6745 115.4188 -206413.2723 17781.2298 0.0000 0.0000 34296.4292 -149502.0126 299.5192 -183798.4418 -149402.8838 297.8868 42.7604 70.8049 556875.3624 -6.7498 -6.6328 PRESSURE: 479400 98.1971 -36.66 -28.9891 -36.6599 38.5906 172.068 -28.9899 172.068 83.9909 GPRESSURE: 479400 135.831 -117.027 22.0329 -11.5919 67.9446 248.091 22.7573 190.426 123.243 PRESSAVG: 479400 78.8231 9.53568 22.4989 9.53569 7.81587 18.7797 22.4989 18.7798 -115.564 GPRESSAVG: 479400 78.0283 7.02168 21.5551 9.63911 7.67739 17.4671 24.8255 21.1003 -114.3 TIMING: 479400 CPU: 1437.58, 0.0030236/step Wall: 1437.58, 0.0030236/step, 3.7968 hours remaining, 208.246094 MB of memory in use. ENERGY: 479400 754.5195 2077.7520 1927.9501 97.3439 -206362.1693 17860.3557 0.0000 0.0000 34249.4263 -149394.8218 299.1088 -183644.2481 -149294.3176 298.9444 73.5928 109.0064 556711.1232 -9.6416 -9.5314 PRESSURE: 479600 222.809 -49.0568 99.1102 -49.0548 -153.323 -19.2304 99.1085 -19.2308 138.712 GPRESSURE: 479600 198.549 5.757 168.904 -116.858 -11.7014 34.9843 138.38 -84.2848 117.471 PRESSAVG: 479600 53.4394 -35.3211 80.1712 -35.3211 24.165 64.556 80.1712 64.556 -52.0601 GPRESSAVG: 479600 53.1669 -36.6538 80.7701 -35.496 23.5807 65.3711 78.07 63.7131 -50.7015 TIMING: 479600 CPU: 1438.18, 0.00303242/step Wall: 1438.18, 0.00303242/step, 3.80771 hours remaining, 208.246094 MB of memory in use. ENERGY: 479600 732.6262 2076.2453 1917.4162 116.7512 -206171.3944 17857.9702 0.0000 0.0000 34182.7670 -149287.6184 298.5266 -183470.3853 -149191.8345 299.1760 69.3995 101.4396 556449.3776 8.5148 8.6821 PRESSURE: 479800 -59.4062 -16.5545 38.2035 -16.5563 -14.1769 -87.6514 38.2041 -87.6507 -145.509 GPRESSURE: 479800 69.383 16.0992 104.149 -76.3647 -58.488 37.0887 -20.9377 -135.138 -139.393 PRESSAVG: 479800 91.7725 -19.7859 38.2883 -19.786 -55.058 37.9104 38.2882 37.9103 -45.9854 GPRESSAVG: 479800 92.9194 -14.4626 36.31 -20.9284 -55.3955 38.1505 41.094 37.5602 -46.9956 TIMING: 479800 CPU: 1438.78, 0.0029913/step Wall: 1438.78, 0.0029913/step, 3.75591 hours remaining, 208.246094 MB of memory in use. ENERGY: 479800 759.6284 2038.2395 1945.7589 106.5083 -205778.7844 17508.5892 0.0000 0.0000 34255.0103 -149165.0498 299.1575 -183420.0601 -149063.1186 299.7850 -73.0308 -42.8327 556022.0208 -3.0903 -3.1572 PRESSURE: 480000 50.2217 123.963 82.2263 123.963 -48.1333 165.751 82.2257 165.75 142.011 GPRESSURE: 480000 96.6333 110.454 36.8479 92.949 -24.539 173.663 101.139 164.879 169.055 PRESSAVG: 480000 -18.4226 -42.4761 21.3817 -42.4762 25.4505 48.7923 21.3817 48.7923 -2.22661 GPRESSAVG: 480000 -18.0194 -43.7273 22.9455 -44.3488 23.9946 47.1155 19.4633 50.4236 -0.845355 TIMING: 480000 CPU: 1439.38, 0.00300672/step Wall: 1439.38, 0.00300672/step, 3.7751 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: 480000 775.6011 2080.1477 1943.5679 122.6939 -206232.9222 17867.6479 0.0000 0.0000 34237.2903 -149205.9734 299.0028 -183443.2637 -149114.8869 299.3522 48.0333 80.3832 557440.6893 1.6004 1.7099 PRESSURE: 480200 -60.8792 49.8491 0.542441 49.8498 88.3247 -7.89435 0.542223 -7.89612 34.4446 GPRESSURE: 480200 -46.3802 -71.5643 60.4004 130.66 147.233 7.47215 -23.9761 -18.3452 54.4293 PRESSAVG: 480200 -21.6883 -17.875 39.6215 -17.875 24.7993 40.5334 39.6215 40.5334 42.7458 GPRESSAVG: 480200 -23.0656 -18.6442 39.6186 -17.1321 27.8682 39.3926 38.5822 39.8087 41.7341 TIMING: 480200 CPU: 1439.98, 0.00300868/step Wall: 1439.98, 0.00300868/step, 3.7774 hours remaining, 208.246094 MB of memory in use. ENERGY: 480200 731.5110 2112.2557 1949.3427 108.5063 -206198.0456 17841.9641 0.0000 0.0000 34265.2488 -149189.2170 299.2469 -183454.4658 -149086.3992 299.9458 20.6300 51.7607 557314.8863 15.2856 15.5122 LDB: ============= START OF LOAD BALANCING ============== 1443.5 LDB: ============== END OF LOAD BALANCING =============== 1443.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1443.5 LDB: ============= START OF LOAD BALANCING ============== 1443.8 LDB: Largest compute 4800 load 0.033048 is 28.0% of average load 0.117883 LDB: Average compute 0.001732 is 1.5% of average load 0.117883 LDB: TIME 1443.8 LOAD: AVG 0.117883 MAX 0.213005 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.816 MB LDB: TIME 1443.8 LOAD: AVG 0.117883 MAX 0.213005 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.887 MB LDB: TIME 1443.8 LOAD: AVG 0.117883 MAX 0.213005 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.887 MB LDB: ============== END OF LOAD BALANCING =============== 1443.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1443.81 PRESSURE: 480400 28.8347 -16.709 42.1657 -16.7094 5.06358 -145.128 42.1652 -145.129 -179.195 GPRESSURE: 480400 28.525 -0.144212 14.7022 -11.8536 53.6845 20.121 66.0086 -200.866 -135.511 PRESSAVG: 480400 -34.9392 -74.9508 74.1687 -74.9508 37.3472 40.9483 74.1687 40.9484 38.2877 GPRESSAVG: 480400 -35.9394 -74.9827 71.9021 -73.0044 37.0099 41.5583 73.7116 40.3025 39.5002 TIMING: 480400 CPU: 1440.59, 0.00305015/step Wall: 1440.59, 0.00305015/step, 3.8293 hours remaining, 207.003906 MB of memory in use. ENERGY: 480400 755.5260 2165.8925 1935.8768 112.4906 -206153.1586 17841.8121 0.0000 0.0000 34204.8649 -149136.6957 298.7196 -183341.5606 -149041.9945 299.2852 -48.4321 -17.7672 558518.4720 13.5653 13.5235 PRESSURE: 480600 171.242 62.2866 -129.61 62.2861 -155.844 55.8518 -129.61 55.8502 -229.895 GPRESSURE: 480600 137.66 101.803 -151.897 -22.9335 -83.1315 35.4728 -147.334 91.2399 -176.289 PRESSAVG: 480600 39.0927 49.5816 -2.5903 49.5816 22.5899 29.763 -2.59038 29.7629 -27.2499 GPRESSAVG: 480600 40.5102 49.5226 -2.01019 50.0689 22.4399 29.4714 -1.18099 31.5034 -28.4577 TIMING: 480600 CPU: 1441.2, 0.00301217/step Wall: 1441.2, 0.00301217/step, 3.78144 hours remaining, 207.207031 MB of memory in use. ENERGY: 480600 751.6520 2137.2476 1965.0904 99.6224 -206130.9041 17736.0998 0.0000 0.0000 34367.4641 -149073.7277 300.1396 -183441.1919 -148970.6374 299.8342 -71.4990 -40.5866 558249.5905 11.4776 11.4975 PRESSURE: 480800 -2.72061 -49.7449 -56.8222 -49.7455 -313.01 -61.6561 -56.8221 -61.6568 -124.951 GPRESSURE: 480800 43.5997 -4.98653 -63.2433 -111.087 -265.417 -39.0885 -35.2302 -99.2608 -111.914 PRESSAVG: 480800 26.1951 -18.9292 -23.21 -18.9293 -39.9766 -4.12745 -23.2099 -4.12738 -4.66878 GPRESSAVG: 480800 24.5684 -17.2979 -23.1562 -22.1751 -39.6181 -1.98311 -22.1984 -6.46073 -2.81941 TIMING: 480800 CPU: 1441.8, 0.00303283/step Wall: 1441.8, 0.00303283/step, 3.80721 hours remaining, 207.207031 MB of memory in use. ENERGY: 480800 759.9742 2170.9698 1934.7290 115.8052 -205782.8244 17595.1744 0.0000 0.0000 34207.9905 -148998.1812 298.7469 -183206.1718 -148900.9407 300.1328 -146.8938 -111.2435 557397.6118 -6.1501 -5.9564 PRESSURE: 481000 130.124 -10.0144 -53.5768 -10.0138 -14.4212 -233.338 -53.5774 -233.34 299.602 GPRESSURE: 481000 160.478 -5.27178 -111.942 -22.8938 38.5104 -237.355 -41.3919 -260.341 313.217 PRESSAVG: 481000 31.3693 11.9804 25.6428 11.9803 -74.6947 6.74354 25.6429 6.74354 4.49412 GPRESSAVG: 481000 32.8925 8.92365 26.349 15.2042 -75.2046 5.0077 24.3771 8.31191 3.70496 TIMING: 481000 CPU: 1442.41, 0.00306164/step Wall: 1442.41, 0.00306164/step, 3.84321 hours remaining, 207.207031 MB of memory in use. ENERGY: 481000 773.0283 2098.6249 1941.6581 114.3721 -205898.2974 17785.7873 0.0000 0.0000 34180.9930 -149003.8337 298.5111 -183184.8267 -148907.3201 299.6858 138.4347 170.7353 556116.4401 -12.9438 -12.8690 PRESSURE: 481200 236.457 -13.3107 28.372 -13.3106 -252.837 -147.729 28.372 -147.73 -38.6111 GPRESSURE: 481200 244.678 -25.5213 61.4943 -3.3643 -221.463 -61.1822 -55.8459 -163.248 20.3768 PRESSAVG: 481200 -28.8058 38.3236 -14.5989 38.3236 -54.5508 -3.96236 -14.5989 -3.96237 86.2263 GPRESSAVG: 481200 -28.9316 37.5022 -14.4376 36.5329 -54.399 -2.85796 -14.9623 -4.96895 86.1873 TIMING: 481200 CPU: 1443.03, 0.00305589/step Wall: 1443.03, 0.00305589/step, 3.83582 hours remaining, 207.207031 MB of memory in use. ENERGY: 481200 737.0809 2017.9578 1955.8659 122.1851 -205747.1508 17579.4826 0.0000 0.0000 34379.1669 -148955.4117 300.2418 -183334.5786 -148860.0725 300.4596 -18.3305 14.5306 557588.7838 0.9566 0.9522 PRESSURE: 481400 80.0443 -56.1626 -62.9284 -56.1617 -55.313 -227.636 -62.9288 -227.635 65.1948 GPRESSURE: 481400 128.171 -58.6851 -32.9902 -111.389 -21.1146 -222.096 -90.4092 -218.123 85.1402 PRESSAVG: 481400 -21.8827 21.4889 -31.639 21.4889 -20.7014 -34.573 -31.639 -34.573 33.8261 GPRESSAVG: 481400 -22.3805 23.6837 -31.7505 22.1198 -21.5523 -34.6926 -30.3786 -34.9253 34.9943 TIMING: 481400 CPU: 1443.63, 0.00300152/step Wall: 1443.63, 0.00300152/step, 3.76741 hours remaining, 207.207031 MB of memory in use. ENERGY: 481400 736.4547 2139.6737 1940.9818 119.4156 -206072.1152 17773.5161 0.0000 0.0000 34369.1702 -148992.9031 300.1545 -183362.0734 -148896.2557 299.8463 29.9754 64.0654 557907.7727 -2.9193 -2.9795 PRESSURE: 481600 -63.5333 1.28623 190.397 1.28687 25.6365 -29.3357 190.398 -29.3359 223.944 GPRESSURE: 481600 -11.7135 39.0294 198.604 -23.8888 88.5394 -25.684 203.474 -61.842 212.9 PRESSAVG: 481600 -26.2293 -16.4936 16.2727 -16.4936 -34.2932 -34.9156 16.2727 -34.9156 93.1888 GPRESSAVG: 481600 -26.7888 -15.4635 17.268 -18.0303 -31.6145 -33.5877 14.238 -36.2988 91.2131 TIMING: 481600 CPU: 1444.23, 0.00303655/step Wall: 1444.23, 0.00303655/step, 3.81121 hours remaining, 207.207031 MB of memory in use. ENERGY: 481600 734.5512 2122.2708 1957.8323 118.4226 -205997.0126 17748.6901 0.0000 0.0000 34168.6741 -149146.5716 298.4035 -183315.2457 -149046.6867 300.3080 62.0157 96.5754 556213.5284 10.8888 10.9366 PRESSURE: 481800 -376.026 134.435 53.1318 134.437 -80.2669 -74.3359 53.1318 -74.3355 -40.3526 GPRESSURE: 481800 -323.968 60.2114 19.2292 102.287 -97.9108 -32.3044 50.0496 -147.575 27.2692 PRESSAVG: 481800 -84.356 -7.85709 39.3686 -7.8571 20.3627 -4.34627 39.3686 -4.34639 42.24 GPRESSAVG: 481800 -82.9341 -6.98262 38.2181 -7.93028 18.7664 -4.64095 39.8539 -4.39477 42.7231 TIMING: 481800 CPU: 1444.84, 0.00302541/step Wall: 1444.84, 0.00302541/step, 3.79705 hours remaining, 207.207031 MB of memory in use. ENERGY: 481800 758.6310 2095.3380 1957.6720 112.3440 -205973.2030 17684.3948 0.0000 0.0000 34224.8932 -149139.9300 298.8945 -183364.8232 -149043.0794 300.5764 -165.5485 -131.5366 557746.7362 -7.2511 -7.1482 PRESSURE: 482000 160.147 101.817 161.987 101.816 105.364 100.412 161.987 100.413 -191.536 GPRESSURE: 482000 208.559 109.604 126.772 6.62817 145.324 59.4928 137.801 120.652 -188.289 PRESSAVG: 482000 29.5286 17.1628 24.9653 17.1629 11.9663 -45.0171 24.9652 -45.017 -27.8394 GPRESSAVG: 482000 28.6537 17.4883 24.3823 17.6061 12.6669 -45.9204 23.6468 -45.3987 -27.4614 TIMING: 482000 CPU: 1445.45, 0.00304659/step Wall: 1445.45, 0.00304659/step, 3.82347 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: 482000 732.0818 2116.4628 1964.2142 98.5081 -206032.8891 17698.6710 0.0000 0.0000 34225.3837 -149197.5676 298.8988 -183422.9513 -149110.0839 298.9649 24.6582 55.1983 556993.4319 4.5518 4.6197 PRESSURE: 482200 -160.681 -41.2443 -185.05 -41.2427 -263.011 7.68676 -185.05 7.68658 -195.351 GPRESSURE: 482200 -147.006 24.9481 -135.032 -36.4943 -153.616 -54.4116 -97.669 -17.4519 -230.01 PRESSAVG: 482200 -1.30576 -39.2359 11.4515 -39.2359 31.5703 15.272 11.4515 15.2721 10.5192 GPRESSAVG: 482200 -0.374118 -40.761 12.7973 -39.3801 30.2107 16.5611 13.5104 15.8772 10.1486 TIMING: 482200 CPU: 1446.05, 0.00303083/step Wall: 1446.05, 0.00303083/step, 3.80352 hours remaining, 207.207031 MB of memory in use. ENERGY: 482200 780.1965 2096.4423 1967.4057 102.3196 -205858.6992 17474.6313 0.0000 0.0000 34374.6399 -149063.0640 300.2023 -183437.7038 -148965.0442 299.4367 -206.3478 -176.8774 559416.3009 13.5946 13.3284 PRESSURE: 482400 -50.5413 15.3725 -20.0255 15.3723 -57.2553 26.8906 -20.0266 26.8898 -47.4588 GPRESSURE: 482400 31.8278 12.8331 -27.8701 -27.5718 -34.7901 -3.73763 -5.47102 -15.847 -57.1431 PRESSAVG: 482400 5.21888 -11.7181 14.4747 -11.718 -29.0762 28.4229 14.4748 28.4228 54.3072 GPRESSAVG: 482400 4.05627 -9.9444 14.4264 -11.8699 -28.1451 27.5478 13.6778 29.5828 54.6714 TIMING: 482400 CPU: 1446.66, 0.00301053/step Wall: 1446.66, 0.00301053/step, 3.77788 hours remaining, 207.207031 MB of memory in use. ENERGY: 482400 729.1768 2073.8158 1946.0017 103.8912 -205709.1717 17718.8920 0.0000 0.0000 34235.1088 -148902.2855 298.9837 -183137.3943 -148796.2874 300.0669 -51.7518 -20.0351 558946.0744 10.1499 10.1942 PRESSURE: 482600 -94.6221 -23.9982 180.295 -23.9977 -14.1284 61.479 180.295 61.4792 91.2107 GPRESSURE: 482600 -48.5643 -10.7986 204.789 -50.9274 68.0837 11.2494 162.352 105.876 70.1694 PRESSAVG: 482600 -8.92759 0.67028 23.4743 0.670185 -34.1019 3.31543 23.4743 3.3153 39.0644 GPRESSAVG: 482600 -9.45755 -0.664716 24.5864 1.97064 -34.37 4.40853 23.8579 2.34081 39.8432 TIMING: 482600 CPU: 1447.26, 0.00301404/step Wall: 1447.26, 0.00301404/step, 3.78211 hours remaining, 207.207031 MB of memory in use. ENERGY: 482600 743.7208 2078.3112 1934.8488 121.9399 -205862.5638 17677.4141 0.0000 0.0000 34275.2544 -149031.0745 299.3343 -183306.3289 -148931.2769 299.8691 -5.8466 29.8963 556901.9195 -1.3217 -1.3281 PRESSURE: 482800 -276.682 -103.162 -58.3045 -103.163 -99.0127 -54.7241 -58.3035 -54.7237 26.3066 GPRESSURE: 482800 -230.27 -108.316 -94.5358 -23.5042 -53.0054 -106.821 26.6778 5.73136 26.527 PRESSAVG: 482800 -7.27394 39.9963 49.7321 39.9962 42.1214 -26.4812 49.7321 -26.4813 -38.703 GPRESSAVG: 482800 -6.54809 38.9134 49.5304 40.1032 42.6696 -28.2189 47.275 -25.3819 -39.7575 TIMING: 482800 CPU: 1447.86, 0.00299421/step Wall: 1447.86, 0.00299421/step, 3.75707 hours remaining, 207.207031 MB of memory in use. ENERGY: 482800 721.2487 2013.2506 1945.5555 95.6764 -205599.7914 17413.2722 0.0000 0.0000 34223.4503 -149187.3378 298.8819 -183410.7881 -149089.4763 299.7451 -116.4626 -85.5829 556445.4618 -1.2852 -1.2120 PRESSURE: 483000 -142.431 -31.0145 47.5025 -31.013 -313.033 32.8281 47.5031 32.8277 -240.345 GPRESSURE: 483000 -131.445 -96.7083 71.59 -5.74581 -245.678 110.628 -39.1299 6.06527 -214.478 PRESSAVG: 483000 11.017 -53.3558 -21.4025 -53.3558 22.4652 -24.4249 -21.4025 -24.4249 0.988717 GPRESSAVG: 483000 10.3535 -54.1831 -22.6735 -52.552 22.206 -24.1861 -20.5615 -23.4719 2.1018 TIMING: 483000 CPU: 1448.45, 0.00298291/step Wall: 1448.45, 0.00298291/step, 3.74272 hours remaining, 207.207031 MB of memory in use. ENERGY: 483000 745.9161 2077.4650 1940.1310 96.9712 -205495.3873 17389.7173 0.0000 0.0000 34058.5402 -149186.6466 297.4417 -183245.1868 -149082.2588 299.8138 -231.9366 -197.2003 558799.6581 11.4903 11.5538 PRESSURE: 483200 -59.9124 56.3527 29.0603 56.3539 -107.924 97.2578 29.0606 97.2574 -82.5836 GPRESSURE: 483200 10.4355 -8.971 21.807 147.439 -92.5759 64.5774 42.9557 99.8581 -78.2229 PRESSAVG: 483200 44.3935 -22.5262 -15.3881 -22.5261 -12.7913 30.6946 -15.388 30.6947 -48.0253 GPRESSAVG: 483200 45.5956 -22.3227 -14.6889 -24.4497 -13.9816 32.0823 -15.1836 29.4183 -48.1991 TIMING: 483200 CPU: 1449.05, 0.00298735/step Wall: 1449.05, 0.00298735/step, 3.74813 hours remaining, 207.207031 MB of memory in use. ENERGY: 483200 729.3114 2091.0649 1934.7992 111.6368 -206213.0517 17621.5031 0.0000 0.0000 34350.7365 -149373.9996 299.9935 -183724.7362 -149279.9995 299.2013 -83.4734 -53.4545 557168.7674 -5.4744 -5.5284 PRESSURE: 483400 -62.9491 -104.874 79.7432 -104.874 81.8908 -181.778 79.7436 -181.777 70.5829 GPRESSURE: 483400 -18.5987 -150.678 73.4881 -41.8343 95.5459 -242.076 4.67131 -87.4332 130.17 PRESSAVG: 483400 2.67589 -52.4897 -14.161 -52.4896 12.8138 -28.916 -14.1609 -28.9159 -21.5452 GPRESSAVG: 483400 3.18048 -52.7552 -14.5036 -51.0898 14.0701 -27.2795 -13.0432 -30.7631 -23.0045 TIMING: 483400 CPU: 1449.65, 0.0030101/step Wall: 1449.65, 0.0030101/step, 3.7765 hours remaining, 207.207031 MB of memory in use. ENERGY: 483400 703.4511 2155.3763 1939.8220 111.6074 -206349.2778 17952.2573 0.0000 0.0000 33992.6938 -149494.0701 296.8666 -183486.7639 -149406.6124 298.1876 29.8415 69.0390 557695.1057 -2.0185 -1.9180 PRESSURE: 483600 28.2055 29.363 -47.393 29.363 76.4894 -126.654 -47.3914 -126.653 260.702 GPRESSURE: 483600 81.5706 11.8965 -59.6312 39.2234 94.3602 -94.4864 -35.6389 -146.06 283.594 PRESSAVG: 483600 -41.0607 -38.2496 27.9148 -38.2496 49.2468 -2.96035 27.9147 -2.96033 -54.9705 GPRESSAVG: 483600 -41.4622 -37.6283 29.3019 -38.4635 48.6252 -5.54335 26.7212 0.0788624 -53.8215 TIMING: 483600 CPU: 1450.26, 0.00302911/step Wall: 1450.26, 0.00302911/step, 3.80018 hours remaining, 207.207031 MB of memory in use. ENERGY: 483600 734.4170 2103.5876 1911.3505 113.1010 -206581.9458 18097.9239 0.0000 0.0000 33999.7562 -149621.8097 296.9283 -183621.5658 -149523.6551 298.1443 121.7988 153.1749 559196.9819 -15.5948 -15.5529 PRESSURE: 483800 184.606 52.318 -63.3388 52.3188 -447.121 39.546 -63.3393 39.5461 -23.9537 GPRESSURE: 483800 179.013 -43.7834 -1.79983 83.2457 -409.946 87.2475 -48.9532 80.1556 49.0183 PRESSAVG: 483800 10.6737 -12.8103 -27.4783 -12.8103 20.5178 4.04182 -27.4783 4.04184 -23.0465 GPRESSAVG: 483800 10.5444 -13.0661 -27.2565 -12.9688 20.4297 3.70252 -26.8757 2.70114 -22.7649 TIMING: 483800 CPU: 1450.86, 0.00300543/step Wall: 1450.86, 0.00300543/step, 3.77031 hours remaining, 207.207031 MB of memory in use. ENERGY: 483800 735.7148 2105.8732 1944.9182 110.7229 -206447.9338 17893.7317 0.0000 0.0000 34032.5891 -149624.3839 297.2151 -183656.9730 -149530.8355 298.0627 -95.4896 -60.6385 558356.7969 2.7150 2.7364 PRESSURE: 484000 92.3982 55.0807 128.748 55.0812 176.724 55.137 128.748 55.1367 -56.2106 GPRESSURE: 484000 139.723 7.08975 44.9149 7.07383 215.757 76.1367 180.896 -2.57579 -43.6962 PRESSAVG: 484000 89.8763 0.187735 -25.5459 0.187766 -3.43019 24.2468 -25.5459 24.2468 -47.6973 GPRESSAVG: 484000 89.6931 -2.02814 -25.8257 0.800647 -2.93421 24.6936 -25.5357 24.9329 -47.5233 TIMING: 484000 CPU: 1451.46, 0.00300839/step Wall: 1451.46, 0.00300839/step, 3.77386 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: 484000 742.0707 2073.3378 1933.9481 104.2456 -206502.5035 18039.5044 0.0000 0.0000 34222.0875 -149387.3094 298.8700 -183609.3969 -149295.1672 298.4143 70.9705 103.9279 558090.4029 12.9163 13.0785 PRESSURE: 484200 -285.496 -78.3882 -59.5789 -78.3885 -203.128 -182.316 -59.5804 -182.315 -46.8476 GPRESSURE: 484200 -236.323 -151.851 -125.117 -51.5182 -197.413 -221.105 -14.303 -188.208 -4.98435 PRESSAVG: 484200 -19.4659 22.3882 -25.2508 22.3881 -25.3877 -12.3477 -25.2509 -12.3477 -22.1384 GPRESSAVG: 484200 -18.6074 25.8666 -25.8562 19.2737 -25.8424 -14.0865 -26.5117 -10.4588 -22.2612 TIMING: 484200 CPU: 1452.07, 0.0030378/step Wall: 1452.07, 0.0030378/step, 3.81058 hours remaining, 207.207031 MB of memory in use. ENERGY: 484200 757.0901 2083.8893 1938.4271 120.9462 -205588.7608 17490.9414 0.0000 0.0000 33939.0912 -149258.3755 296.3985 -183197.4667 -149162.9776 298.2013 -178.4903 -146.2403 558518.1715 -22.3307 -22.2370 LDB: ============= START OF LOAD BALANCING ============== 1455.59 LDB: ============== END OF LOAD BALANCING =============== 1455.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1455.59 LDB: ============= START OF LOAD BALANCING ============== 1455.9 LDB: Largest compute 4800 load 0.032964 is 28.0% of average load 0.117830 LDB: Average compute 0.001736 is 1.5% of average load 0.117830 LDB: TIME 1455.9 LOAD: AVG 0.11783 MAX 0.215504 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.809 MB LDB: TIME 1455.9 LOAD: AVG 0.11783 MAX 0.215504 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.809 MB LDB: TIME 1455.9 LOAD: AVG 0.11783 MAX 0.215504 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.809 MB LDB: ============== END OF LOAD BALANCING =============== 1455.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1455.91 PRESSURE: 484400 109.338 -53.9188 92.8195 -53.9204 215.289 78.6196 92.8196 78.6207 -268.992 GPRESSURE: 484400 136.288 -66.1978 208.973 110.907 244.419 42.258 61.2744 98.2659 -217.357 PRESSAVG: 484400 -5.09419 -0.361338 9.80617 -0.361239 -21.0801 -40.0177 9.80627 -40.0176 -33.6187 GPRESSAVG: 484400 -5.84114 -0.967839 9.92394 1.01492 -19.3001 -37.8994 10.9224 -42.3887 -33.9445 TIMING: 484400 CPU: 1452.69, 0.00310651/step Wall: 1452.69, 0.00310651/step, 3.8966 hours remaining, 208.562500 MB of memory in use. ENERGY: 484400 682.7879 2053.0320 1929.2314 114.5386 -205854.0097 17637.4244 0.0000 0.0000 34104.9324 -149332.0631 297.8469 -183436.9955 -149237.5524 298.3292 18.5449 54.4500 557574.7935 -19.9310 -19.6952 PRESSURE: 484600 -49.5358 -137.811 -83.1054 -137.811 -105.822 -22.747 -83.105 -22.7493 70.9701 GPRESSURE: 484600 57.4479 -154.41 -87.8968 -190.22 -84.2704 -16.6829 -116.852 45.5234 47.4874 PRESSAVG: 484600 42.7091 -24.9991 -87.4147 -24.9991 55.7621 -46.3039 -87.4148 -46.3039 -48.4929 GPRESSAVG: 484600 44.2835 -25.7421 -85.3905 -23.707 55.2615 -48.6869 -88.1214 -45.5651 -49.4981 TIMING: 484600 CPU: 1453.3, 0.00302176/step Wall: 1453.3, 0.00302176/step, 3.79013 hours remaining, 208.562500 MB of memory in use. ENERGY: 484600 726.4055 2097.6614 1952.7147 112.9193 -206156.3957 17654.8894 0.0000 0.0000 34269.5401 -149342.2653 299.2844 -183611.8055 -149244.7871 299.3429 -28.1294 6.8883 555313.1279 16.6594 16.6823 PRESSURE: 484800 -210 -164.437 94.0456 -164.438 1.24852 5.02426 94.0455 5.02371 -7.18355 GPRESSURE: 484800 -172.6 -246.934 81.1837 -116.893 6.9114 -18.2286 71.2552 9.1532 64.5818 PRESSAVG: 484800 4.55819 10.7745 -11.6365 10.7746 -17.7834 -40.826 -11.6365 -40.8259 22.6052 GPRESSAVG: 484800 3.89715 10.1681 -12.4424 9.07537 -18.7635 -39.4903 -10.1468 -42.1957 24.4494 TIMING: 484800 CPU: 1453.89, 0.00299509/step Wall: 1453.89, 0.00299509/step, 3.7565 hours remaining, 208.562500 MB of memory in use. ENERGY: 484800 770.3702 2157.5363 1920.8216 111.4488 -206572.4997 17814.5684 0.0000 0.0000 34361.0796 -149436.6749 300.0839 -183797.7545 -149343.4646 299.1442 -71.9784 -33.7023 555556.4006 3.1267 3.1943 PRESSURE: 485000 120.102 -71.2898 -88.3628 -71.2902 216.862 -98.9168 -88.3637 -98.9175 -225.856 GPRESSURE: 485000 119.299 -37.3921 -78.3613 -130.212 228.301 -150.263 -114.675 -72.24 -140.295 PRESSAVG: 485000 5.6267 -22.3384 -4.76966 -22.3384 -9.87925 5.47197 -4.76971 5.47187 -16.4224 GPRESSAVG: 485000 3.95549 -22.4515 -6.6679 -21.3162 -7.83701 5.16128 -4.82706 5.9471 -16.5044 TIMING: 485000 CPU: 1454.49, 0.00300134/step Wall: 1454.49, 0.00300134/step, 3.76418 hours remaining, 208.562500 MB of memory in use. ENERGY: 485000 754.0854 2151.8855 1932.2326 126.8378 -206445.1252 17930.5325 0.0000 0.0000 34386.5651 -149162.9864 300.3064 -183549.5515 -149063.1688 299.2539 37.0357 69.1016 557251.5595 -6.8916 -6.7953 PRESSURE: 485200 72.6873 -103.802 39.6209 -103.802 15.7007 142.932 39.6193 142.933 96.7466 GPRESSURE: 485200 114.225 -49.8055 17.7782 -99.8279 105.552 85.6456 45.26 174.675 66.5191 PRESSAVG: 485200 -30.9754 -64.3358 19.4319 -64.3358 -2.02372 -18.3868 19.4319 -18.3869 34.2385 GPRESSAVG: 485200 -28.4605 -65.0381 17.4445 -63.2531 -2.93115 -16.9056 21.2059 -18.0981 33.0915 TIMING: 485200 CPU: 1455.09, 0.00297592/step Wall: 1455.09, 0.00297592/step, 3.73214 hours remaining, 208.562500 MB of memory in use. ENERGY: 485200 769.0668 2122.5973 1938.4401 101.6387 -206549.0587 18025.5535 0.0000 0.0000 34340.4456 -149251.3168 299.9037 -183591.7624 -149146.5477 299.9444 61.7115 95.4318 557163.3634 0.4131 0.5666 PRESSURE: 485400 232.648 107.418 68.3556 107.418 9.64714 -25.7686 68.355 -25.7667 -75.6228 GPRESSURE: 485400 188.832 160.074 72.218 126.731 79.1438 4.05181 28.2715 7.28987 -7.66911 PRESSAVG: 485400 4.22545 1.88129 44.9618 1.88129 14.9628 4.32513 44.9618 4.32516 -24.4933 GPRESSAVG: 485400 2.42909 4.35575 49.1389 -0.455119 16.9023 2.21552 41.7633 5.82514 -24.4972 TIMING: 485400 CPU: 1455.69, 0.00299217/step Wall: 1455.69, 0.00299217/step, 3.75235 hours remaining, 208.562500 MB of memory in use. ENERGY: 485400 720.6215 2156.9944 1927.8101 111.8046 -206154.8336 17891.7020 0.0000 0.0000 33993.8768 -149352.0243 296.8770 -183345.9011 -149257.8445 299.1365 55.5573 86.7687 557549.6892 -1.7684 -1.7219 PRESSURE: 485600 229.782 4.46698 -13.0863 4.46525 -149.808 20.5984 -13.0866 20.6002 -119.791 GPRESSURE: 485600 244.28 -9.86648 -30.0876 -5.14044 -97.5824 79.4342 35.0883 66.6286 -88.7317 PRESSAVG: 485600 -5.83865 19.2076 27.7988 19.2075 5.41002 -2.27062 27.7988 -2.2705 14.7352 GPRESSAVG: 485600 -5.47646 17.6565 26.2602 21.8908 3.50227 -3.42325 28.3285 -3.25592 16.3352 TIMING: 485600 CPU: 1456.29, 0.00300997/step Wall: 1456.29, 0.00300997/step, 3.7745 hours remaining, 208.562500 MB of memory in use. ENERGY: 485600 770.3344 2150.8832 1965.1962 117.7841 -206425.2869 17810.5656 0.0000 0.0000 34341.8306 -149268.6928 299.9157 -183610.5234 -149175.4391 298.8757 -13.2721 19.3220 557978.8478 4.7689 4.7870 PRESSURE: 485800 11.4362 68.3227 -193.856 68.3209 -46.8707 121.071 -193.856 121.072 -94.2122 GPRESSURE: 485800 36.3847 83.5996 -164.096 147.281 -33.5302 36.0973 -177.969 128.079 -49.0433 PRESSAVG: 485800 -6.83647 11.8522 2.53899 11.8523 -30.3867 -0.650138 2.53895 -0.650099 47.6033 GPRESSAVG: 485800 -6.50947 11.8799 4.38647 10.3794 -30.8415 1.93675 2.37985 -1.48959 47.3895 TIMING: 485800 CPU: 1456.89, 0.00299826/step Wall: 1456.89, 0.00299826/step, 3.75966 hours remaining, 208.562500 MB of memory in use. ENERGY: 485800 777.8576 2109.0576 1945.8085 129.5855 -206612.1219 18119.4680 0.0000 0.0000 34226.2404 -149304.1043 298.9063 -183530.3447 -149213.5525 299.2455 -43.2156 -15.3963 557990.9609 3.4600 3.3462 PRESSURE: 486000 -92.9331 128.966 -222.033 128.966 -357.356 25.1487 -222.032 25.1475 -115.859 GPRESSURE: 486000 -70.099 139.128 -218.744 116.592 -336.432 -14.2387 -226.492 70.7767 -60.782 PRESSAVG: 486000 0.928255 8.69334 -5.52986 8.69338 -61.0306 15.9094 -5.52991 15.9095 37.0628 GPRESSAVG: 486000 0.883311 9.36374 -7.95483 8.92403 -60.0955 15.3256 -4.93895 16.3096 36.3241 TIMING: 486000 CPU: 1457.49, 0.00301718/step Wall: 1457.49, 0.00301718/step, 3.78321 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: 486000 791.4663 2061.3646 1954.8958 127.2197 -206040.2862 17647.2727 0.0000 0.0000 34213.1975 -149244.8696 298.7924 -183458.0671 -149144.3527 299.6583 -188.7162 -155.7709 557781.7086 -7.6798 -7.6294 PRESSURE: 486200 95.6176 56.9816 37.5486 56.9818 -254.089 151.171 37.5495 151.171 -61.7452 GPRESSURE: 486200 121.461 34.0847 86.9967 -15.0719 -196.801 180.114 24.1737 87.5246 -37.9866 PRESSAVG: 486200 15.4204 -9.4427 -10.4636 -9.4427 3.26383 24.7845 -10.4637 24.7844 -9.62881 GPRESSAVG: 486200 15.838 -10.3619 -9.65726 -9.76557 3.53283 23.6658 -11.2688 24.9612 -10.0981 TIMING: 486200 CPU: 1458.09, 0.00300489/step Wall: 1458.09, 0.00300489/step, 3.76763 hours remaining, 208.562500 MB of memory in use. ENERGY: 486200 750.5530 2074.3027 1981.3759 111.2754 -206293.5542 17726.8161 0.0000 0.0000 34275.0290 -149374.2020 299.3324 -183649.2310 -149261.5670 299.5366 -73.4055 -37.7756 556894.2082 3.0185 3.0909 PRESSURE: 486400 183.789 52.5433 60.8844 52.543 -27.6573 -176.438 60.8848 -176.437 -88.3072 GPRESSURE: 486400 205.719 114.242 91.0611 23.9963 -33.8689 -206.301 32.4444 -189.43 8.87093 PRESSAVG: 486400 12.7519 25.8253 40.1057 25.8253 -69.1793 -20.981 40.1058 -20.981 66.936 GPRESSAVG: 486400 12.8684 25.7112 42.0036 27.6638 -69.7524 -19.6719 39.2106 -20.3986 67.5409 TIMING: 486400 CPU: 1458.7, 0.00301074/step Wall: 1458.7, 0.00301074/step, 3.7748 hours remaining, 208.562500 MB of memory in use. ENERGY: 486400 720.2568 2087.6758 1967.8874 107.3232 -206358.4635 17912.4223 0.0000 0.0000 34061.4693 -149501.4288 297.4673 -183562.8981 -149402.7785 298.8529 22.6080 60.2403 556719.3121 3.5029 3.5523 PRESSURE: 486600 69.6934 -87.813 -106.697 -87.8131 -68.8305 -88.7855 -106.698 -88.7865 135.193 GPRESSURE: 486600 96.9047 -101.868 -98.3098 -39.6329 -43.0296 -122.184 -95.9535 -43.1325 181.397 PRESSAVG: 486600 54.0745 -2.53307 -22.7543 -2.53301 -71.033 -21.1355 -22.7543 -21.1354 36.8656 GPRESSAVG: 486600 53.3848 -2.81256 -23.8191 -1.63625 -71.1002 -20.4906 -22.7741 -22.1495 37.6736 TIMING: 486600 CPU: 1459.3, 0.00300516/step Wall: 1459.3, 0.00300516/step, 3.76763 hours remaining, 208.562500 MB of memory in use. ENERGY: 486600 731.4907 2070.7651 1954.1640 109.8098 -206358.8082 17955.2479 0.0000 0.0000 34130.3968 -149406.9339 298.0692 -183537.3308 -149312.4802 298.5511 45.3518 78.4241 557950.4512 6.6357 6.6527 PRESSURE: 486800 -20.623 80.821 -66.5043 80.8195 67.9556 26.6966 -66.5054 26.6964 231.031 GPRESSURE: 486800 89.4884 111.52 -57.0638 9.77124 94.1925 46.2178 2.04707 -62.8817 197.755 PRESSAVG: 486800 -10.3873 -30.3694 -14.3095 -30.3695 -21.8296 -16.9193 -14.3094 -16.9192 3.37446 GPRESSAVG: 486800 -10.3242 -30.7857 -16.1098 -33.0444 -21.7146 -17.1926 -13.577 -15.0278 3.58797 TIMING: 486800 CPU: 1459.9, 0.0030079/step Wall: 1459.9, 0.0030079/step, 3.7709 hours remaining, 208.562500 MB of memory in use. ENERGY: 486800 734.3617 2009.6598 1929.3994 108.6296 -206435.8471 18060.4647 0.0000 0.0000 34056.9734 -149536.3584 297.4280 -183593.3318 -149447.7369 298.4067 92.7878 127.1453 556617.3540 -9.6142 -9.4836 PRESSURE: 487000 -102.12 -133.607 118.187 -133.606 19.7495 -72.973 118.188 -72.9717 -84.9558 GPRESSURE: 487000 -106.693 -125.162 134.317 -142.399 68.2829 -152.884 129.383 -86.1041 -27.7837 PRESSAVG: 487000 4.57243 -35.8312 38.632 -35.8313 -9.64951 -24.1021 38.6321 -24.1021 33.0069 GPRESSAVG: 487000 5.29745 -36.09 39.4589 -35.0056 -10.3588 -25.0486 40.1244 -25.65 32.9656 TIMING: 487000 CPU: 1460.5, 0.00300382/step Wall: 1460.5, 0.00300382/step, 3.76563 hours remaining, 208.562500 MB of memory in use. ENERGY: 487000 753.8745 2127.7000 1947.8303 117.3748 -206398.4078 17784.6880 0.0000 0.0000 34075.5308 -149591.4093 297.5901 -183666.9401 -149494.2499 298.7658 -55.7755 -22.0645 556271.9752 9.3100 9.3014 PRESSURE: 487200 229.524 -90.5576 -93.2771 -90.5581 117.374 -104.833 -93.2781 -104.831 65.3556 GPRESSURE: 487200 248.203 -87.274 -27.4046 -75.9958 137.868 -71.2188 -93.7527 -77.3074 116.356 PRESSAVG: 487200 -3.43697 -56.8057 0.311118 -56.8057 -24.0969 -12.1293 0.311176 -12.1293 36.565 GPRESSAVG: 487200 -3.63921 -55.8716 2.17836 -57.8502 -22.7533 -11.1904 -1.44168 -9.92616 35.512 TIMING: 487200 CPU: 1461.1, 0.00299534/step Wall: 1461.1, 0.00299534/step, 3.75482 hours remaining, 208.562500 MB of memory in use. ENERGY: 487200 729.2616 2100.4178 1966.4389 118.7398 -206361.0637 17879.5351 0.0000 0.0000 34199.9610 -149366.7094 298.6768 -183566.6705 -149265.5093 298.6150 137.4177 167.4757 555968.4828 3.0104 3.0398 PRESSURE: 487400 -219.044 57.3826 46.6245 57.3826 64.7204 15.2437 46.6249 15.2445 -361.729 GPRESSURE: 487400 -212.239 -46.9143 -39.8313 82.0388 167.309 -23.9742 54.3294 22.6735 -368.16 PRESSAVG: 487400 -79.4478 -37.8207 -29.6779 -37.8207 44.7955 -41.6112 -29.6779 -41.6111 28.2831 GPRESSAVG: 487400 -80.2711 -38.6675 -32.0151 -37.397 44.6318 -42.0901 -27.9892 -43.9504 29.1632 TIMING: 487400 CPU: 1461.7, 0.00298163/step Wall: 1461.7, 0.00298163/step, 3.73747 hours remaining, 208.562500 MB of memory in use. ENERGY: 487400 752.2845 2065.7360 1996.3122 115.6131 -206067.4603 17636.4261 0.0000 0.0000 34123.4035 -149377.6850 298.0082 -183501.0885 -149282.2570 298.7599 -172.0177 -137.6967 556640.9871 -2.1231 -2.1587 PRESSURE: 487600 -18.9451 18.6841 -128.929 18.6848 -59.5633 -67.0325 -128.931 -67.0318 -236.221 GPRESSURE: 487600 30.0453 -4.85 -186.965 -24.3521 -42.8593 -16.4579 -113.669 -67.692 -214.998 PRESSAVG: 487600 -49.7628 -19.0412 -1.4781 -19.0411 54.477 -8.74876 -1.47804 -8.74885 3.20611 GPRESSAVG: 487600 -49.5635 -18.0115 -0.799586 -17.5615 53.7604 -8.04996 -2.52939 -7.81404 3.44776 TIMING: 487600 CPU: 1462.3, 0.00301363/step Wall: 1462.3, 0.00301363/step, 3.77742 hours remaining, 208.562500 MB of memory in use. ENERGY: 487600 754.7223 2037.4247 1962.7663 112.4639 -206521.4487 17751.7872 0.0000 0.0000 34551.8423 -149350.4420 301.7498 -183902.2843 -149263.3881 299.1213 -104.9099 -75.9374 557233.5759 2.6401 2.5482 PRESSURE: 487800 -197.929 63.233 -64.0097 63.2338 -313.148 -16.6056 -64.008 -16.606 -64.5163 GPRESSURE: 487800 -216.625 67.3855 17.9208 52.2293 -240.942 -139.883 -94.7467 63.1652 -10.3277 PRESSAVG: 487800 -50.5868 1.50476 11.4454 1.50471 15.0938 -23.6273 11.4454 -23.6273 5.50633 GPRESSAVG: 487800 -51.1065 0.617431 10.5343 1.99509 15.7225 -26.9239 12.5958 -21.1459 5.94431 TIMING: 487800 CPU: 1462.9, 0.00300285/step Wall: 1462.9, 0.00300285/step, 3.76374 hours remaining, 208.562500 MB of memory in use. ENERGY: 487800 789.3719 2076.4996 1962.4326 105.4928 -205987.7049 17558.5091 0.0000 0.0000 34023.8915 -149471.5073 297.1391 -183495.3989 -149380.9736 298.6625 -191.8644 -155.9648 557305.9338 -9.9956 -9.8132 PRESSURE: 488000 -43.6975 -31.3354 -47.363 -31.336 78.5966 4.16066 -47.3634 4.15946 -117.585 GPRESSURE: 488000 -15.4473 -74.5539 -21.7675 -47.5049 95.4315 -19.719 -54.0147 53.7287 -67.6575 PRESSAVG: 488000 -16.7787 -5.15828 -15.2989 -5.15831 -8.01532 12.3052 -15.2989 12.3052 20.2461 GPRESSAVG: 488000 -16.0782 -4.87224 -16.6912 -7.18462 -8.18888 13.027 -14.0149 9.37758 19.694 TIMING: 488000 CPU: 1463.5, 0.00301141/step Wall: 1463.5, 0.00301141/step, 3.77431 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: 488000 761.0655 2080.5316 1912.7938 103.2256 -206376.6567 17693.4119 0.0000 0.0000 34239.1292 -149586.4991 299.0188 -183825.6283 -149481.5179 298.7024 -27.5619 4.1089 555746.7912 -1.5160 -1.5244 PRESSURE: 488200 -113.264 131.165 -262.653 131.165 -12.2508 -110.068 -262.653 -110.069 124.383 GPRESSURE: 488200 -32.8466 120.425 -296.638 82.5771 15.4097 -134.482 -246.596 -95.5561 110.361 PRESSAVG: 488200 -26.7617 36.7015 -28.3421 36.7016 41.0687 18.5856 -28.3421 18.5857 39.1731 GPRESSAVG: 488200 -27.1805 38.1359 -25.9075 36.4685 41.9703 19.3578 -29.5924 19.7303 38.9085 TIMING: 488200 CPU: 1464.11, 0.00303141/step Wall: 1464.11, 0.00303141/step, 3.7992 hours remaining, 208.562500 MB of memory in use. ENERGY: 488200 731.8302 2130.4204 1956.6733 112.8249 -206263.8972 17690.7763 0.0000 0.0000 34176.6695 -149464.7026 298.4734 -183641.3721 -149367.4237 298.9345 -0.3772 30.9748 556762.8690 17.8267 17.8995 LDB: ============= START OF LOAD BALANCING ============== 1467.63 LDB: ============== END OF LOAD BALANCING =============== 1467.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1467.63 LDB: ============= START OF LOAD BALANCING ============== 1467.94 LDB: Largest compute 4800 load 0.032082 is 27.2% of average load 0.117853 LDB: Average compute 0.001731 is 1.5% of average load 0.117853 LDB: TIME 1467.94 LOAD: AVG 0.117853 MAX 0.216784 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.238 MB LDB: TIME 1467.94 LOAD: AVG 0.117853 MAX 0.216784 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.441 MB LDB: TIME 1467.94 LOAD: AVG 0.117853 MAX 0.216784 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.441 MB LDB: ============== END OF LOAD BALANCING =============== 1467.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1467.94 PRESSURE: 488400 -186.274 236.904 81.7045 236.905 -269.008 -28.0353 81.7029 -28.037 -43.6231 GPRESSURE: 488400 -227.371 214.208 52.9306 207.71 -163.731 9.68209 101.372 -38.1359 -9.28691 PRESSAVG: 488400 -18.8728 -3.80478 5.17026 -3.80482 23.1477 -17.6805 5.17025 -17.6804 -2.41084 GPRESSAVG: 488400 -18.3735 -6.13211 6.7087 -2.1807 22.2647 -16.5626 3.9646 -17.7263 -2.16765 TIMING: 488400 CPU: 1464.73, 0.00310444/step Wall: 1464.73, 0.00310444/step, 3.89056 hours remaining, 207.535156 MB of memory in use. ENERGY: 488400 750.1055 2074.5929 1957.9810 111.2294 -205750.1046 17480.8515 0.0000 0.0000 34128.7204 -149246.6239 298.0546 -183375.3443 -149144.7589 299.3972 -166.3017 -133.4632 557699.1100 0.6214 0.5745 PRESSURE: 488600 -218.897 31.4495 -20.2545 31.4488 -207.25 104.622 -20.2541 104.623 -50.6891 GPRESSURE: 488600 -165.373 10.1648 -37.5494 76.6824 -171.918 151.934 14.4335 74.6608 -32.6799 PRESSAVG: 488600 -44.5176 25.8625 6.39486 25.8624 14.289 14.2566 6.39489 14.2565 18.9714 GPRESSAVG: 488600 -45.5849 26.4441 5.08817 26.8127 14.2474 14.0369 5.80663 14.4444 19.8435 TIMING: 488600 CPU: 1465.34, 0.00303676/step Wall: 1465.34, 0.00303676/step, 3.80556 hours remaining, 207.605469 MB of memory in use. ENERGY: 488600 730.7764 2085.9800 1954.9151 129.3153 -205963.9967 17586.3747 0.0000 0.0000 34228.2310 -149248.4042 298.9237 -183476.6352 -149157.5362 299.3384 -158.9453 -123.3236 556565.5692 -3.7524 -3.8313 PRESSURE: 488800 -20.2682 -88.8389 -82.4031 -88.839 -107.614 -44.1391 -82.4034 -44.1413 -265.741 GPRESSURE: 488800 -88.0475 -24.0481 -121.703 -114.733 -70.9966 33.2462 -79.5594 -90.0467 -123.137 PRESSAVG: 488800 24.8418 -4.78452 -6.40565 -4.78449 69.5051 30.1698 -6.4056 30.1698 -6.55437 GPRESSAVG: 488800 25.939 -2.68901 -5.69737 -5.26604 69.7422 29.818 -3.61665 29.2689 -7.65026 TIMING: 488800 CPU: 1465.94, 0.00303234/step Wall: 1465.94, 0.00303234/step, 3.79985 hours remaining, 207.605469 MB of memory in use. ENERGY: 488800 779.3195 2104.5634 1956.0096 116.7484 -205953.9891 17614.2684 0.0000 0.0000 34115.5401 -149267.5398 297.9395 -183383.0798 -149156.7676 299.3108 -131.2080 -94.0605 555620.4083 29.2642 29.3436 PRESSURE: 489000 10.2183 -10.3526 167.897 -10.3537 -121.971 -52.3554 167.897 -52.3558 7.89589 GPRESSURE: 489000 6.95697 -6.16932 178.147 64.3182 -51.1186 -74.0761 230.316 36.4274 47.6128 PRESSAVG: 489000 -21.9523 -21.7984 18.7627 -21.7985 28.2348 -23.4397 18.7627 -23.4397 -38.1128 GPRESSAVG: 489000 -21.9176 -22.4157 17.9579 -21.017 27.6545 -24.5315 18.455 -23.3307 -37.2553 TIMING: 489000 CPU: 1466.54, 0.00300065/step Wall: 1466.54, 0.00300065/step, 3.75998 hours remaining, 207.605469 MB of memory in use. ENERGY: 489000 755.5916 2054.8838 1951.3126 105.6044 -206146.7533 17604.2730 0.0000 0.0000 34469.8049 -149205.2829 301.0334 -183675.0879 -149106.3904 299.1401 -34.6189 1.1504 557138.6580 -10.6101 -10.5061 PRESSURE: 489200 233.881 -54.5504 -66.0378 -54.551 90.7825 -66.1832 -66.0369 -66.1813 -223.578 GPRESSURE: 489200 321.63 -57.7965 -23.7653 -127.829 91.7489 -23.132 -145.566 -104.001 -216.963 PRESSAVG: 489200 37.1111 32.9159 -16.7515 32.916 -3.22952 21.625 -16.7514 21.625 29.3979 GPRESSAVG: 489200 36.9301 32.8414 -16.4343 30.6394 -2.72359 23.2244 -19.4332 22.4721 28.9664 TIMING: 489200 CPU: 1467.14, 0.00300943/step Wall: 1467.14, 0.00300943/step, 3.77081 hours remaining, 207.605469 MB of memory in use. ENERGY: 489200 748.5034 2102.8601 1945.6587 119.7372 -206879.1480 17927.4329 0.0000 0.0000 34618.6936 -149416.2621 302.3337 -184034.9557 -149314.1621 299.4434 33.6951 65.4721 556447.9362 21.0932 21.0576 PRESSURE: 489400 -199 106.199 -89.1319 106.199 -164.001 76.1408 -89.1321 76.1396 -330.92 GPRESSURE: 489400 -214.507 73.3833 -92.3823 145.734 -154.179 90.1192 -48.0401 7.60017 -230.874 PRESSAVG: 489400 -18.2885 11.3264 -2.55925 11.3264 -24.9988 -27.8404 -2.55926 -27.8404 50.8561 GPRESSAVG: 489400 -18.5737 9.64972 -2.9545 12.7979 -25.232 -27.2313 -2.16754 -29.4152 51.1013 TIMING: 489400 CPU: 1467.74, 0.00299705/step Wall: 1467.74, 0.00299705/step, 3.75514 hours remaining, 207.605469 MB of memory in use. ENERGY: 489400 743.1746 2049.0542 1958.6534 107.2528 -205972.5610 17455.8595 0.0000 0.0000 34239.7746 -149418.7919 299.0245 -183658.5665 -149320.1126 298.8925 -231.3072 -199.8533 558424.8691 2.5229 2.4319 PRESSURE: 489600 -428.554 -206.788 -81.6258 -206.787 -154.44 -30.9269 -81.624 -30.9272 -221.256 GPRESSURE: 489600 -388.076 -174.894 -134.729 -283.101 -186.651 -5.16346 -7.5839 -10.1715 -140.334 PRESSAVG: 489600 -12.2294 -37.095 12.034 -37.095 -83.478 5.62768 12.0341 5.62777 77.2879 GPRESSAVG: 489600 -12.5422 -33.8512 13.1835 -37.2328 -83.0658 2.45146 11.077 7.50035 77.7154 TIMING: 489600 CPU: 1468.35, 0.00303758/step Wall: 1468.35, 0.00303758/step, 3.80575 hours remaining, 207.605469 MB of memory in use. ENERGY: 489600 729.7076 2083.3585 1927.7924 114.5762 -205761.6823 17314.1016 0.0000 0.0000 34148.6944 -149443.4516 298.2290 -183592.1460 -149340.6932 299.0032 -268.0834 -238.3535 558076.9391 -6.1398 -5.9642 PRESSURE: 489800 222.62 -100.032 -33.0438 -100.033 173.741 -107.977 -33.0428 -107.976 165.99 GPRESSURE: 489800 238.006 -38.635 2.48035 -114.029 223.17 -99.7142 -65.0971 -21.2851 195.704 PRESSAVG: 489800 -41.7826 -43.2323 24.1705 -43.2324 -35.8732 15.6949 24.1705 15.6949 43.6187 GPRESSAVG: 489800 -42.3942 -45.7192 24.762 -42.4931 -35.4408 19.1813 25.1125 13.9457 43.5477 TIMING: 489800 CPU: 1468.96, 0.00304763/step Wall: 1468.96, 0.00304763/step, 3.81818 hours remaining, 207.605469 MB of memory in use. ENERGY: 489800 735.0110 2107.7949 1950.0167 105.9385 -206849.2555 18216.7908 0.0000 0.0000 34448.5210 -149285.1826 300.8475 -183733.7036 -149193.6329 299.5117 187.4503 218.9599 556701.3500 -11.3457 -11.4291 PRESSURE: 490000 96.7847 -40.3137 15.807 -40.3137 86.4854 -23.9504 15.8064 -23.9503 143.506 GPRESSURE: 490000 129.269 -45.5315 32.4886 87.1006 87.7499 -83.3301 16.9597 -34.1426 208.386 PRESSAVG: 490000 1.69839 -13.2025 -64.8984 -13.2025 -19.8861 -18.7425 -64.8985 -18.7425 -0.117401 GPRESSAVG: 490000 3.08301 -13.1707 -67.8637 -12.8304 -20.2455 -17.7477 -63.8669 -18.3221 -0.712691 TIMING: 490000 CPU: 1469.57, 0.00303644/step Wall: 1469.57, 0.00303644/step, 3.80398 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: 490000 777.8961 2068.7620 1963.2411 111.7945 -206574.8564 18073.9980 0.0000 0.0000 34413.9240 -149165.2407 300.5454 -183579.1647 -149067.6161 299.8114 108.9253 141.8017 558430.9097 -6.1017 -5.9584 PRESSURE: 490200 8.73734 -82.7634 -158.535 -82.7628 110.636 64.7261 -158.535 64.7252 259.512 GPRESSURE: 490200 6.99246 -71.25 -164.15 -127.024 214.717 37.7916 -127.04 143.337 246.42 PRESSAVG: 490200 32.4443 -25.3529 -6.82132 -25.3529 -22.5596 93.6886 -6.82137 93.6886 -10.3182 GPRESSAVG: 490200 33.0042 -24.0041 -5.5733 -26.1667 -23.6119 91.6512 -7.29858 93.1498 -10.23 TIMING: 490200 CPU: 1470.17, 0.00302837/step Wall: 1470.17, 0.00302837/step, 3.79371 hours remaining, 207.605469 MB of memory in use. ENERGY: 490200 722.0821 2094.0905 1939.5564 118.8084 -206301.4720 18018.1818 0.0000 0.0000 34253.8984 -149154.8544 299.1478 -183408.7528 -149056.8445 299.5185 126.2951 156.0432 557440.4185 -0.1445 -0.2792 PRESSURE: 490400 -147.955 -12.0219 45.8177 -12.0209 -144.882 10.2714 45.8186 10.2711 -200.343 GPRESSURE: 490400 -79.0408 140.964 0.144126 -69.3608 -148.726 -8.329 51.8781 0.890961 -158.266 PRESSAVG: 490400 66.0472 -21.0185 7.48058 -21.0186 -16.9941 32.3421 7.48062 32.342 -24.6352 GPRESSAVG: 490400 65.9196 -22.4641 9.1504 -21.4337 -16.8204 32.5756 6.60643 32.0456 -24.9329 TIMING: 490400 CPU: 1470.78, 0.00304816/step Wall: 1470.78, 0.00304816/step, 3.81832 hours remaining, 207.605469 MB of memory in use. ENERGY: 490400 748.9177 2096.7881 1965.0120 105.7348 -206033.6767 17647.6369 0.0000 0.0000 34395.3959 -149074.1913 300.3835 -183469.5872 -148976.1248 299.4879 -164.3936 -128.6775 558004.0769 8.1393 8.0555 PRESSURE: 490600 -14.6124 -49.0596 58.6594 -49.0592 -186.803 105.066 58.6592 105.069 -82.0246 GPRESSURE: 490600 -20.9811 -150.286 69.1293 -31.4955 -117.983 -10.5326 109.78 147.124 -46.0445 PRESSAVG: 490600 13.417 36.7636 8.30117 36.7635 -55.1598 7.31702 8.30127 7.31701 -4.25051 GPRESSAVG: 490600 12.9905 38.3644 5.24839 36.525 -55.2265 6.0192 9.60744 7.8545 -3.59624 TIMING: 490600 CPU: 1471.39, 0.00303643/step Wall: 1471.39, 0.00303643/step, 3.80347 hours remaining, 207.605469 MB of memory in use. ENERGY: 490600 778.9238 2095.4881 1930.7006 104.8758 -206048.3906 17782.8828 0.0000 0.0000 34293.7138 -149061.8056 299.4955 -183355.5195 -148965.9225 299.5543 -94.4800 -61.6697 558435.9435 -15.3311 -15.2774 PRESSURE: 490800 239.833 -44.2851 24.9953 -44.2841 -39.5587 43.0292 24.9968 43.0278 98.6738 GPRESSURE: 490800 260.899 -0.0216606 33.158 -84.8915 14.5109 18.5942 -9.58394 96.9764 128.375 PRESSAVG: 490800 -28.3913 -14.6341 -23.8378 -14.634 -7.40692 6.51485 -23.8377 6.51491 8.06476 GPRESSAVG: 490800 -27.8507 -14.7105 -20.5291 -14.8701 -7.84271 9.23452 -26.2981 5.01943 8.23026 TIMING: 490800 CPU: 1472, 0.00304332/step Wall: 1472, 0.00304332/step, 3.81192 hours remaining, 207.605469 MB of memory in use. ENERGY: 490800 721.2469 2105.9662 1963.7148 119.3443 -206167.4361 17866.2046 0.0000 0.0000 34211.9599 -149178.9993 298.7816 -183390.9592 -149087.1405 299.4199 99.6495 134.5950 558226.2979 -9.2445 -9.1544 PRESSURE: 491000 -66.1955 -92.6146 -113.09 -92.6137 48.568 -177.208 -113.089 -177.209 -202.578 GPRESSURE: 491000 -22.7359 -50.0999 -80.4339 -66.9308 124.589 -154.002 -186.652 -250.38 -224.115 PRESSAVG: 491000 -7.45909 -50.6868 -7.40323 -50.6869 -46.7027 -0.430571 -7.40326 -0.430676 23.1987 GPRESSAVG: 491000 -7.11121 -53.0064 -8.6486 -51.3143 -46.394 -1.46608 -6.58192 0.922186 22.9917 TIMING: 491000 CPU: 1472.61, 0.00305709/step Wall: 1472.61, 0.00305709/step, 3.82901 hours remaining, 207.605469 MB of memory in use. ENERGY: 491000 753.5973 2055.3752 1948.4393 114.9861 -205921.2646 17704.8714 0.0000 0.0000 34152.2910 -149191.7044 298.2605 -183343.9954 -149092.4632 299.2511 -73.4018 -40.7539 559693.8145 -10.3210 -10.1712 PRESSURE: 491200 18.8962 -9.47089 64.3599 -9.47112 -88.6659 83.4521 64.3595 83.4526 -181.306 GPRESSURE: 491200 74.4119 -27.2414 140.972 7.52549 -18.9025 114.422 49.3183 63.8156 -218.317 PRESSAVG: 491200 6.44147 -12.7244 -22.3486 -12.7244 70.1795 -19.3984 -22.3486 -19.3984 -74.6255 GPRESSAVG: 491200 5.60418 -11.7083 -22.8284 -12.6142 70.8533 -20.5304 -22.0871 -18.9631 -74.509 TIMING: 491200 CPU: 1473.22, 0.00303937/step Wall: 1473.22, 0.00303937/step, 3.80664 hours remaining, 207.605469 MB of memory in use. ENERGY: 491200 756.2385 2031.8916 1948.9618 110.9165 -206133.2325 17811.2085 0.0000 0.0000 34237.8863 -149236.1293 299.0080 -183474.0156 -149133.3054 299.3068 -83.6920 -54.2692 558349.0252 0.6652 0.6495 PRESSURE: 491400 -121.962 72.342 104.47 72.3421 143.87 132.415 104.469 132.415 50.4792 GPRESSURE: 491400 -38.8372 79.038 95.799 135.923 137.846 20.4535 172.629 159.98 64.8389 PRESSAVG: 491400 -47.4749 -16.1637 -6.94166 -16.1637 -25.8211 30.9328 -6.94169 30.9327 53.5487 GPRESSAVG: 491400 -46.5271 -14.6288 -8.90808 -16.4789 -26.5981 27.7076 -5.0775 31.8429 53.546 TIMING: 491400 CPU: 1473.82, 0.00300542/step Wall: 1473.82, 0.00300542/step, 3.76396 hours remaining, 207.605469 MB of memory in use. ENERGY: 491400 742.5033 1991.2161 1922.9201 107.0826 -206299.3273 18047.6054 0.0000 0.0000 34326.2516 -149161.7480 299.7797 -183487.9996 -149060.3761 299.3210 24.1293 54.6158 558676.6053 -6.5824 -6.5264 PRESSURE: 491600 -186.545 106.795 87.7176 106.794 -53.8575 -72.688 87.7181 -72.6884 -19.0691 GPRESSURE: 491600 -178.909 94.0806 178.722 121.182 -48.8967 -98.4084 24.5888 -81.7575 58.2328 PRESSAVG: 491600 -15.2252 25.3383 17.1564 25.3383 -6.9792 12.6333 17.1564 12.6332 30.3543 GPRESSAVG: 491600 -17.0708 21.5861 19.4721 26.5289 -6.01138 16.1244 14.371 11.0344 31.0842 TIMING: 491600 CPU: 1474.42, 0.00302738/step Wall: 1474.42, 0.00302738/step, 3.79129 hours remaining, 207.605469 MB of memory in use. ENERGY: 491600 753.5217 2066.5816 1934.7894 114.0768 -206077.8599 17643.9836 0.0000 0.0000 34318.2319 -149246.6750 299.7097 -183564.9069 -149154.0154 298.9965 -86.4906 -56.5244 558907.7990 2.7166 2.6673 PRESSURE: 491800 54.308 -85.0688 211.697 -85.0693 -309.235 51.4975 211.696 51.4954 17.8337 GPRESSURE: 491800 90.0113 -111.495 243.341 -27.5455 -230.764 4.18633 138.59 55.2282 13.6924 PRESSAVG: 491800 17.2781 -16.5554 7.28935 -16.5553 -71.5222 52.0609 7.28928 52.0609 63.7376 GPRESSAVG: 491800 19.0092 -14.0994 7.8862 -16.5543 -72.3204 50.8797 9.39353 51.3549 62.5112 TIMING: 491800 CPU: 1475.03, 0.00301776/step Wall: 1475.03, 0.00301776/step, 3.77908 hours remaining, 207.605469 MB of memory in use. ENERGY: 491800 709.2768 2081.0194 1940.5862 109.1343 -206011.4939 17517.5129 0.0000 0.0000 34325.1152 -149328.8491 299.7698 -183653.9643 -149226.7184 299.4614 -79.0311 -42.3535 557254.6080 3.1645 3.0667 PRESSURE: 492000 171.436 -27.4769 166.897 -27.4759 267.488 -46.998 166.897 -46.9966 51.9735 GPRESSURE: 492000 249.098 112.09 241.806 -100.224 257.32 -49.2028 32.8327 -72.6597 89.349 PRESSAVG: 492000 38.1628 -6.86599 49.7903 -6.86598 -4.95283 -30.7796 49.7902 -30.7796 8.49499 GPRESSAVG: 492000 37.6804 -5.95836 49.2266 -7.5544 -4.29096 -31.5132 48.6112 -29.8342 8.40899 TIMING: 492000 CPU: 1475.63, 0.00302485/step Wall: 1475.63, 0.00302485/step, 3.78779 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: 492000 754.7989 2080.9226 1959.6182 112.4671 -206750.8058 18288.2625 0.0000 0.0000 34182.6581 -149372.0784 298.5257 -183554.7365 -149281.3533 299.3262 163.6324 198.5888 557957.2001 13.9017 13.9328 PRESSURE: 492200 -262.208 -46.044 -21.7625 -46.0438 -204.255 -144.069 -21.7626 -144.067 -155.633 GPRESSURE: 492200 -193.591 -127.728 -10.8727 -47.8158 -182.122 -9.3775 21.9999 -119.609 -151.102 PRESSAVG: 492200 -4.61956 59.8753 -17.4317 59.8753 27.4006 -34.3429 -17.4317 -34.3429 -0.87633 GPRESSAVG: 492200 -4.86367 58.2493 -16.0274 60.7141 27.2291 -32.3189 -17.1885 -34.8319 -0.613217 TIMING: 492200 CPU: 1476.23, 0.00298885/step Wall: 1476.23, 0.00298885/step, 3.74254 hours remaining, 207.605469 MB of memory in use. ENERGY: 492200 749.6907 2072.1889 1963.3186 119.0387 -205840.0790 17604.8494 0.0000 0.0000 33953.9688 -149377.0240 296.5285 -183330.9928 -149281.9863 299.2128 -207.3654 -175.6052 560429.7795 7.3016 7.2507 LDB: ============= START OF LOAD BALANCING ============== 1479.75 LDB: ============== END OF LOAD BALANCING =============== 1479.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1479.75 LDB: ============= START OF LOAD BALANCING ============== 1480.05 LDB: Largest compute 4800 load 0.030811 is 26.1% of average load 0.117884 LDB: Average compute 0.001721 is 1.5% of average load 0.117884 LDB: TIME 1480.05 LOAD: AVG 0.117884 MAX 0.212515 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.254 MB LDB: TIME 1480.05 LOAD: AVG 0.117884 MAX 0.212515 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.457 MB LDB: TIME 1480.05 LOAD: AVG 0.117884 MAX 0.212515 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.457 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1480.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1480.06 PRESSURE: 492400 -175.777 65.2481 -72.2155 65.2467 -215.775 -30.0167 -72.2142 -30.0158 187.923 GPRESSURE: 492400 -156.271 133.229 -11.6581 45.5607 -187.767 -80.3357 -82.8221 0.772379 249.564 PRESSAVG: 492400 -91.771 5.23812 -40.6296 5.23808 16.9412 -22.6943 -40.6295 -22.6943 60.5188 GPRESSAVG: 492400 -91.5551 6.01655 -42.6379 3.55312 18.677 -23.1461 -40.2296 -24.0921 59.2499 TIMING: 492400 CPU: 1476.84, 0.00303842/step Wall: 1476.84, 0.00303842/step, 3.80443 hours remaining, 208.566406 MB of memory in use. ENERGY: 492400 717.8310 2015.1440 1955.2274 123.4884 -205968.3519 17629.2027 0.0000 0.0000 34303.9249 -149223.5334 299.5847 -183527.4584 -149133.2114 299.6238 -67.8761 -31.4912 557375.4574 -4.7703 -4.5427 PRESSURE: 492600 62.0041 -3.59378 21.0295 -3.59305 58.9545 4.30498 21.0296 4.30364 -143.115 GPRESSURE: 492600 156.093 -16.6375 70.4646 39.9657 -0.0223244 18.9143 -36.2228 -59.0865 -65.0426 PRESSAVG: 492600 -23.3904 83.0482 0.234358 83.0482 -49.0919 -24.3486 0.234341 -24.3486 35.9224 GPRESSAVG: 492600 -22.5134 81.9599 1.07514 85.0235 -51.0972 -24.5747 -2.74365 -23.1513 37.1093 TIMING: 492600 CPU: 1477.44, 0.00299762/step Wall: 1477.44, 0.00299762/step, 3.75319 hours remaining, 208.636719 MB of memory in use. ENERGY: 492600 740.6095 2094.4064 1969.8227 119.3276 -206337.0681 17866.3555 0.0000 0.0000 34185.7527 -149360.7937 298.5527 -183546.5464 -149262.5732 299.6347 -7.3854 30.3426 556829.0369 -12.1866 -12.1671 PRESSURE: 492800 106.28 -194.415 -79.4817 -194.414 200.088 -35.9428 -79.4824 -35.9411 113.119 GPRESSURE: 492800 134.964 -154.127 -67.1771 -196.79 235.074 -120.794 -5.179 45.8099 156.174 PRESSAVG: 492800 47.5615 36.2521 2.81685 36.2521 -8.54984 54.0063 2.81682 54.0062 13.5354 GPRESSAVG: 492800 46.5904 36.1889 1.12026 37.2076 -6.85902 55.1452 4.04222 52.6098 12.6533 TIMING: 492800 CPU: 1478.04, 0.00298769/step Wall: 1478.04, 0.00298769/step, 3.74058 hours remaining, 208.636719 MB of memory in use. ENERGY: 492800 720.7476 2012.5378 1956.8465 103.8628 -206246.6695 17986.1530 0.0000 0.0000 34100.5473 -149365.9744 297.8086 -183466.5218 -149262.9509 298.8653 139.8289 175.4039 558524.4808 17.5157 17.4615 PRESSURE: 493000 -272.862 -129.177 73.9319 -129.177 -13.9706 67.2508 73.932 67.2496 -126.594 GPRESSURE: 493000 -201.005 -90.9942 69.5138 -156.497 -15.9587 65.7602 88.711 54.0065 -99.4 PRESSAVG: 493000 -22.7339 -53.7894 19.4463 -53.7894 48.3652 27.5359 19.4463 27.5359 -22.5143 GPRESSAVG: 493000 -21.2346 -51.4249 19.1346 -56.2944 47.279 24.774 20.2632 30.4294 -22.1399 TIMING: 493000 CPU: 1478.63, 0.00297711/step Wall: 1478.63, 0.00297711/step, 3.72718 hours remaining, 208.636719 MB of memory in use. ENERGY: 493000 723.2095 2035.0663 1935.6871 112.2317 -205871.3542 17587.5934 0.0000 0.0000 34227.8886 -149249.6777 298.9207 -183477.5663 -149150.7131 298.7984 -137.8090 -105.4545 559140.4941 1.0390 1.3015 PRESSURE: 493200 55.022 -91.2102 129.633 -91.2108 -239.313 -62.5475 129.631 -62.5477 58.1808 GPRESSURE: 493200 46.9307 -161.847 97.1555 22.143 -167.067 -104.47 49.2264 -84.074 82.9162 PRESSAVG: 493200 -37.9147 -45.3926 -29.5137 -45.3926 6.36276 27.1431 -29.5137 27.1431 41.068 GPRESSAVG: 493200 -38.8983 -45.5379 -28.7315 -43.2065 6.89343 28.1885 -30.8266 26.1593 41.3082 TIMING: 493200 CPU: 1479.23, 0.00300726/step Wall: 1479.23, 0.00300726/step, 3.76476 hours remaining, 208.636719 MB of memory in use. ENERGY: 493200 724.5367 2085.6874 1942.7095 102.1122 -206609.3362 17959.5021 0.0000 0.0000 34306.5833 -149488.2050 299.6079 -183794.7883 -149382.8678 299.1979 -42.0366 -12.4068 557278.3021 3.1720 3.1011 PRESSURE: 493400 -108.235 27.2796 -49.1369 27.2796 -64.1253 112.511 -49.1375 112.512 -160.381 GPRESSURE: 493400 -119.017 -20.4186 -88.4347 50.627 58.3981 121.841 16.5205 125.834 -159.992 PRESSAVG: 493400 -44.9397 16.5568 0.351162 16.5567 21.3706 -5.5293 0.351169 -5.52933 14.2537 GPRESSAVG: 493400 -44.6428 15.2975 1.48481 14.4646 22.4457 -4.74438 1.95317 -7.11196 12.9576 TIMING: 493400 CPU: 1479.83, 0.00299921/step Wall: 1479.83, 0.00299921/step, 3.75452 hours remaining, 208.636719 MB of memory in use. ENERGY: 493400 775.3677 2044.0217 1918.5742 121.3364 -206356.9901 17824.6618 0.0000 0.0000 34310.5789 -149362.4493 299.6428 -183673.0282 -149266.0782 298.4080 -110.9137 -73.5368 558293.5274 -3.1051 -3.0798 PRESSURE: 493600 -175.201 -6.52294 -80.4726 -6.52293 -129.812 -114.336 -80.4717 -114.336 -278.869 GPRESSURE: 493600 -121.123 -103.107 -12.9217 -4.62583 -140.103 -91.3481 -53.8758 -196.778 -205.118 PRESSAVG: 493600 -14.8712 44.0232 -2.80913 44.0233 43.591 -34.6272 -2.80902 -34.6271 -17.0709 GPRESSAVG: 493600 -15.9238 45.0736 -4.65935 44.3768 43.045 -33.9613 -1.27859 -33.9678 -15.9563 TIMING: 493600 CPU: 1480.44, 0.00301405/step Wall: 1480.44, 0.00301405/step, 3.77292 hours remaining, 208.636719 MB of memory in use. ENERGY: 493600 775.8534 2021.7050 1906.0053 115.6528 -206083.8129 17656.5776 0.0000 0.0000 34239.8239 -149368.1950 299.0249 -183608.0188 -149272.6813 298.6625 -194.6272 -155.4480 558107.1897 3.8829 3.7216 PRESSURE: 493800 40.8224 -55.5865 17.6034 -55.5872 -86.5296 209.853 17.6048 209.853 -329.115 GPRESSURE: 493800 68.2206 17.7709 5.78333 -59.822 -57.76 201.59 9.17512 169.284 -287.559 PRESSAVG: 493800 28.4033 0.868362 -27.1487 0.868334 27.653 -16.2892 -27.1487 -16.2892 -69.0196 GPRESSAVG: 493800 29.9781 -0.959701 -27.9121 1.13348 25.8509 -16.8257 -28.103 -17.1874 -69.1479 TIMING: 493800 CPU: 1481.05, 0.00305116/step Wall: 1481.05, 0.00305116/step, 3.81921 hours remaining, 208.636719 MB of memory in use. ENERGY: 493800 714.8745 2139.2065 1951.9350 113.1787 -206024.6886 17512.5949 0.0000 0.0000 34248.9638 -149343.9352 299.1047 -183592.8990 -149250.2369 298.0291 -124.9408 -92.3660 558264.0079 -4.3211 -4.4396 PRESSURE: 494000 -314.597 43.1468 -76.9401 43.1474 -244.17 -20.7791 -76.9394 -20.7784 -419.873 GPRESSURE: 494000 -260.67 -18.321 -39.4341 67.0161 -161.087 12.417 -90.7341 -60.4493 -449.681 PRESSAVG: 494000 43.8591 -11.9329 -26.5835 -11.9329 84.2001 44.209 -26.5835 44.209 -120.016 GPRESSAVG: 494000 43.4114 -10.4331 -25.3967 -11.6005 85.2461 43.392 -27.5544 45.0027 -120.454 TIMING: 494000 CPU: 1481.65, 0.00303297/step Wall: 1481.65, 0.00303297/step, 3.79627 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: 494000 801.9114 2091.4162 1950.0428 115.0230 -205846.7817 17438.2733 0.0000 0.0000 34089.9617 -149360.1532 297.7161 -183450.1150 -149260.6289 298.8369 -326.2129 -290.4795 558618.6413 2.6810 2.7345 PRESSURE: 494200 -4.76644 -30.4805 -17.0673 -30.4801 -83.9668 14.2458 -17.0674 14.2451 -137.431 GPRESSURE: 494200 52.0383 -29.1263 -44.3704 -43.9148 -71.5734 155.729 -4.24013 51.935 -99.5813 PRESSAVG: 494200 6.3747 45.6116 -71.0734 45.6116 -4.96124 23.1939 -71.0733 23.1939 -44.6884 GPRESSAVG: 494200 6.32808 45.9086 -71.7655 45.4363 -4.74914 24.386 -69.007 23.8684 -44.395 TIMING: 494200 CPU: 1482.26, 0.00303399/step Wall: 1482.26, 0.00303399/step, 3.79738 hours remaining, 208.636719 MB of memory in use. ENERGY: 494200 728.3183 2090.4549 1908.7062 117.0506 -206224.1815 17634.4548 0.0000 0.0000 34191.7610 -149553.4357 298.6052 -183745.1967 -149456.9831 298.4160 -75.3882 -39.7054 557736.7812 -14.4250 -14.2720 PRESSURE: 494400 -120.496 -131.559 -99.7054 -131.561 -185.499 -56.2531 -99.7046 -56.2528 -161.34 GPRESSURE: 494400 -35.2954 -111.629 -181.106 -60.0922 -149.3 -21.4522 -72.0075 -95.539 -193.96 PRESSAVG: 494400 37.3238 2.8481 -24.678 2.84811 27.7077 34.4801 -24.6778 34.48 -58.6086 GPRESSAVG: 494400 38.0143 1.96711 -23.6766 2.82942 26.3136 34.4679 -25.2806 34.3868 -58.4038 TIMING: 494400 CPU: 1482.86, 0.00301397/step Wall: 1482.86, 0.00301397/step, 3.77216 hours remaining, 208.636719 MB of memory in use. ENERGY: 494400 802.7507 2047.7102 1927.7069 115.5088 -206298.2080 17749.9319 0.0000 0.0000 34006.5712 -149648.0284 296.9878 -183654.5996 -149551.8059 298.0187 -155.7781 -126.1852 557898.0276 2.1409 1.9747 PRESSURE: 494600 104.279 -33.949 -15.8767 -33.9502 304.107 99.215 -15.8762 99.2151 32.2803 GPRESSURE: 494600 96.9362 -45.7934 -21.2423 53.9992 365.682 -55.911 62.0559 174.189 72.1149 PRESSAVG: 494600 -2.88406 0.174913 -7.88277 0.174928 -6.40405 -28.043 -7.88266 -28.0429 16.513 GPRESSAVG: 494600 -4.3211 0.626872 -8.69357 -0.584878 -5.7143 -28.5881 -7.13206 -29.233 17.2627 TIMING: 494600 CPU: 1483.47, 0.00302604/step Wall: 1483.47, 0.00302604/step, 3.78708 hours remaining, 208.636719 MB of memory in use. ENERGY: 494600 745.1793 2063.2456 1929.2708 109.4851 -206872.7310 18180.9001 0.0000 0.0000 34176.7635 -149667.8865 298.4742 -183844.6500 -149569.6248 298.2924 146.8885 178.2443 557747.8590 2.4083 2.4091 PRESSURE: 494800 -157.197 21.6549 135.092 21.6544 211.769 -109.398 135.093 -109.397 -208.13 GPRESSURE: 494800 -151.522 85.25 117.372 62.1256 216.969 -183.564 192.935 -46.0947 -115.536 PRESSAVG: 494800 -11.379 17.1342 -16.4766 17.1341 9.5261 -47.9212 -16.4766 -47.9211 8.24326 GPRESSAVG: 494800 -10.7273 17.3298 -15.0149 17.7429 9.13752 -48.2062 -17.9545 -47.3444 7.27948 TIMING: 494800 CPU: 1484.07, 0.00303166/step Wall: 1484.07, 0.00303166/step, 3.79395 hours remaining, 208.636719 MB of memory in use. ENERGY: 494800 713.9948 2095.7154 1915.4027 111.8565 -206822.8527 18054.3510 0.0000 0.0000 34191.1260 -149740.4063 298.5996 -183931.5323 -149634.6382 298.1083 -51.1857 -16.6963 558772.7486 2.1301 1.8966 PRESSURE: 495000 -107.754 19.8078 -66.0896 19.808 -32.99 54.2095 -66.0893 54.2087 -168.916 GPRESSURE: 495000 -151.701 90.7154 -95.9717 12.5177 46.2255 30.5868 -81.6183 -23.8554 -102.833 PRESSAVG: 495000 -38.5006 40.5218 11.6711 40.5219 0.453266 27.3305 11.6711 27.3306 -19.3318 GPRESSAVG: 495000 -39.2908 41.3795 10.1742 38.3204 -0.0293161 29.0927 12.1243 27.1401 -18.3138 TIMING: 495000 CPU: 1484.68, 0.00301267/step Wall: 1484.68, 0.00301267/step, 3.77003 hours remaining, 208.894531 MB of memory in use. ENERGY: 495000 718.7243 2065.0544 1925.0825 122.6101 -206234.8406 17713.6928 0.0000 0.0000 34172.7134 -149516.9632 298.4388 -183689.6766 -149417.3359 298.7407 -103.2201 -69.4360 557654.6161 -19.1264 -19.2113 PRESSURE: 495200 4.37157 104.09 -209.036 104.09 125.62 49.458 -209.035 49.457 38.5969 GPRESSURE: 495200 19.1362 26.595 -159.936 130.138 141.568 -10.0952 -286.331 35.6807 108.537 PRESSAVG: 495200 -35.4693 31.4564 -16.911 31.4563 57.2327 63.5231 -16.9109 63.5232 6.87334 GPRESSAVG: 495200 -35.7615 31.0598 -17.2722 35.4137 57.0946 62.9048 -16.1325 64.0438 6.85715 TIMING: 495200 CPU: 1485.27, 0.00299271/step Wall: 1485.27, 0.00299271/step, 3.74488 hours remaining, 208.894531 MB of memory in use. ENERGY: 495200 755.9888 2073.3298 1926.0371 114.7924 -206567.0658 17963.1687 0.0000 0.0000 34300.8445 -149432.9045 299.5578 -183733.7490 -149340.2646 298.5609 56.1963 89.7471 557807.1320 9.5456 9.3967 PRESSURE: 495400 -191.207 -127.304 -84.0404 -127.306 -109.821 -165.143 -84.0399 -165.143 -110.467 GPRESSURE: 495400 -177.68 -37.1066 -9.84361 -121.317 -63.0908 -197.192 -86.2291 -170.947 -71.9072 PRESSAVG: 495400 -52.9988 -13.2195 -17.794 -13.2196 67.6785 -3.45191 -17.7939 -3.45199 -12.4724 GPRESSAVG: 495400 -53.5366 -13.5167 -20.067 -15.203 68.2398 -2.47145 -16.8992 -4.22008 -13.1333 TIMING: 495400 CPU: 1485.87, 0.00299905/step Wall: 1485.87, 0.00299905/step, 3.75264 hours remaining, 208.894531 MB of memory in use. ENERGY: 495400 774.0383 2062.8346 1945.5451 110.2039 -206256.5365 17634.8253 0.0000 0.0000 34092.0523 -149637.0369 297.7344 -183729.0892 -149538.1328 298.6758 -137.1651 -104.2259 557601.7016 0.7357 0.5233 PRESSURE: 495600 -156.513 -12.9296 18.8051 -12.9274 -122.545 55.0083 18.8071 55.008 -306.281 GPRESSURE: 495600 -119.488 -5.93185 30.7389 -80.4831 -110.68 167.14 -10.4546 -6.04089 -263.619 PRESSAVG: 495600 78.4801 34.9067 -69.1357 34.9067 -7.83199 11.1714 -69.1357 11.1715 -48.9381 GPRESSAVG: 495600 78.1286 33.4417 -65.9441 34.7388 -7.7741 9.75773 -71.6306 12.929 -49.2858 TIMING: 495600 CPU: 1486.48, 0.00301416/step Wall: 1486.48, 0.00301416/step, 3.77139 hours remaining, 208.894531 MB of memory in use. ENERGY: 495600 768.6712 2089.0214 1954.0417 116.8305 -206170.2658 17612.3200 0.0000 0.0000 34168.2093 -149461.1717 298.3995 -183629.3810 -149369.7896 299.0727 -195.1130 -164.5957 557761.3294 7.2367 7.0229 PRESSURE: 495800 -109.72 16.522 168.452 16.5218 245.691 -195.813 168.45 -195.813 -130.061 GPRESSURE: 495800 -106.821 52.8672 126.29 25.2525 296.576 -160.105 114.835 -217.492 -96.1747 PRESSAVG: 495800 14.8689 -39.3998 -12.3444 -39.3999 -34.675 23.3661 -12.3444 23.3662 56.5828 GPRESSAVG: 495800 16.2343 -35.7639 -14.3127 -39.8929 -34.9311 22.6502 -10.9521 21.8645 55.6371 TIMING: 495800 CPU: 1487.08, 0.00303912/step Wall: 1487.08, 0.00303912/step, 3.80245 hours remaining, 208.894531 MB of memory in use. ENERGY: 495800 733.2003 2166.2350 1937.6142 117.1582 -206129.0711 17701.0550 0.0000 0.0000 34357.9758 -149115.8327 300.0567 -183473.8084 -149019.7251 298.8575 1.9701 31.1933 558513.0162 12.2589 12.3134 PRESSURE: 496000 -276.616 -3.19988 24.8236 -3.20055 197.949 79.9468 24.8233 79.947 37.9183 GPRESSURE: 496000 -230.458 -41.2867 8.1052 5.06622 225.022 17.7445 14.9775 70.3442 64.7853 PRESSAVG: 496000 -45.3015 -17.0298 -7.56364 -17.0298 31.076 6.63708 -7.56375 6.63718 8.84658 GPRESSAVG: 496000 -45.9027 -19.9728 -6.16397 -16.5142 31.2728 7.29116 -8.58574 6.03819 9.23143 TIMING: 496000 CPU: 1487.69, 0.00302797/step Wall: 1487.69, 0.00302797/step, 3.78833 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: 496000 715.1203 2117.1330 1938.4970 115.5113 -206121.4688 17606.9981 0.0000 0.0000 34340.0713 -149288.1377 299.9004 -183628.2090 -149190.6565 299.3362 -13.5830 19.7829 557604.9896 -1.7930 -1.7995 PRESSURE: 496200 -30.8897 104.877 -200.256 104.876 111.537 -26.0432 -200.256 -26.0441 -24.7541 GPRESSURE: 496200 -15.8111 40.0766 -180.167 139.115 174.486 24.1039 -170.332 24.1118 19.5262 PRESSAVG: 496200 -25.2599 -15.7143 2.38559 -15.7142 5.57126 11.7127 2.38557 11.7127 -8.28683 GPRESSAVG: 496200 -25.4637 -16.5775 1.30262 -15.2796 6.10225 8.13737 4.00291 12.6502 -7.73789 TIMING: 496200 CPU: 1488.29, 0.00299615/step Wall: 1488.29, 0.00299615/step, 3.74836 hours remaining, 208.894531 MB of memory in use. ENERGY: 496200 751.4123 2094.3339 1999.2253 125.0149 -206438.0581 17759.2323 0.0000 0.0000 34139.5394 -149569.3001 298.1491 -183708.8394 -149463.9850 298.9920 18.6312 59.4005 556658.9147 -9.3251 -9.0331 LDB: ============= START OF LOAD BALANCING ============== 1491.81 LDB: ============== END OF LOAD BALANCING =============== 1491.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1491.81 LDB: ============= START OF LOAD BALANCING ============== 1492.11 LDB: Largest compute 4800 load 0.029610 is 25.1% of average load 0.117953 LDB: Average compute 0.001724 is 1.5% of average load 0.117953 LDB: TIME 1492.11 LOAD: AVG 0.117953 MAX 0.21531 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.055 MB LDB: TIME 1492.11 LOAD: AVG 0.117953 MAX 0.21531 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.059 MB LDB: TIME 1492.11 LOAD: AVG 0.117953 MAX 0.21531 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.059 MB LDB: ============== END OF LOAD BALANCING =============== 1492.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1492.12 PRESSURE: 496400 167.321 -66.334 125.501 -66.3346 -171.796 133.467 125.5 133.465 -77.3284 GPRESSURE: 496400 194.413 -125.355 83.866 -142.378 -119.662 72.8276 122.858 150.849 -57.9696 PRESSAVG: 496400 -43.3848 -49.7686 12.4574 -49.7687 0.336095 46.7328 12.4573 46.7329 40.8008 GPRESSAVG: 496400 -43.1853 -47.7783 15.0255 -49.969 0.0333043 48.9617 11.0013 47.925 40.9673 TIMING: 496400 CPU: 1488.9, 0.0030605/step Wall: 1488.9, 0.0030605/step, 3.82868 hours remaining, 206.511719 MB of memory in use. ENERGY: 496400 767.4045 2113.4580 1961.5353 125.2225 -206349.7664 17759.6955 0.0000 0.0000 34072.9636 -149549.4869 297.5677 -183622.4506 -149450.1920 298.4295 -27.2679 5.5936 556651.4571 -0.7493 -0.7282 PRESSURE: 496600 190.861 -32.8904 -74.4526 -32.8884 203.919 -117.791 -74.4521 -117.792 -126.322 GPRESSURE: 496600 179.433 23.0557 -17.4175 -43.0879 228.928 -97.2265 -57.1002 -122.246 -32.3703 PRESSAVG: 496600 49.8706 -11.7424 9.10409 -11.7423 -0.929631 2.82166 9.10409 2.82165 -21.6538 GPRESSAVG: 496600 49.7678 -12.6381 7.68266 -10.8497 -0.786882 3.25021 9.27893 0.195916 -21.821 TIMING: 496600 CPU: 1489.51, 0.00301799/step Wall: 1489.51, 0.00301799/step, 3.77533 hours remaining, 206.714844 MB of memory in use. ENERGY: 496600 701.2753 2124.4778 1930.7522 102.8541 -206680.5334 17940.6566 0.0000 0.0000 34304.3851 -149576.1324 299.5887 -183880.5175 -149474.8066 299.0181 89.4860 125.3304 556222.2440 9.0957 9.0533 PRESSURE: 496800 -223.228 -62.2188 39.5755 -62.2194 -93.5624 47.9531 39.5754 47.9526 -178.984 GPRESSURE: 496800 -215.612 -44.6784 -9.83139 30.5797 -53.1855 36.9491 40.6673 -46.4095 -115.407 PRESSAVG: 496800 23.2619 5.09911 -45.2484 5.09916 27.2056 -33.3784 -45.2484 -33.3784 -46.621 GPRESSAVG: 496800 22.5491 4.76374 -45.7237 3.7341 28.039 -33.6226 -44.9827 -32.3377 -47.1905 TIMING: 496800 CPU: 1490.11, 0.00302213/step Wall: 1490.11, 0.00302213/step, 3.78035 hours remaining, 206.714844 MB of memory in use. ENERGY: 496800 771.8558 2062.1652 1950.6300 104.7028 -206254.0724 17801.0752 0.0000 0.0000 34173.9148 -149389.7286 298.4493 -183563.6434 -149290.6845 299.1508 -165.2581 -128.0681 558443.4644 1.2821 1.1325 PRESSURE: 497000 -13.8206 -118.245 64.0191 -118.245 38.9341 41.3831 64.0192 41.3827 136.029 GPRESSURE: 497000 33.5918 -117.121 -85.3478 -155.654 45.8868 67.7161 109.186 51.4504 189.401 PRESSAVG: 497000 48.1484 -16.7315 -16.6079 -16.7314 -92.773 3.1658 -16.608 3.16575 88.0083 GPRESSAVG: 497000 49.0687 -16.5129 -17.1308 -14.9513 -94.2367 3.12106 -16.8691 2.92784 88.5067 TIMING: 497000 CPU: 1490.71, 0.00301694/step Wall: 1490.71, 0.00301694/step, 3.77368 hours remaining, 206.714844 MB of memory in use. ENERGY: 497000 716.5029 2065.5271 1958.9688 122.6484 -206417.3403 17924.6922 0.0000 0.0000 34279.0249 -149349.9760 299.3673 -183629.0009 -149256.7923 299.3887 53.7142 89.6266 557029.9027 14.4612 14.4462 PRESSURE: 497200 353.727 -102.527 -71.0692 -102.527 -9.48009 -17.2162 -71.0681 -17.2184 -121.514 GPRESSURE: 497200 375.617 -53.5667 -70.5471 -162.328 19.6871 8.10919 -43.4495 -1.95811 -74.9555 PRESSAVG: 497200 29.0556 -38.5174 -17.6254 -38.5174 -31.2896 12.3768 -17.6255 12.3768 -21.5 GPRESSAVG: 497200 29.6055 -37.4598 -15.7586 -41.7616 -31.5281 12.3506 -18.6639 12.3081 -21.6938 TIMING: 497200 CPU: 1491.32, 0.00303094/step Wall: 1491.32, 0.00303094/step, 3.79104 hours remaining, 206.714844 MB of memory in use. ENERGY: 497200 753.6281 2038.9816 1926.5856 105.4254 -206484.8769 18097.3099 0.0000 0.0000 34270.3134 -149292.6329 299.2912 -183562.9463 -149193.4655 299.3381 74.2443 106.7827 556558.0582 -7.9114 -7.8721 PRESSURE: 497400 -159.609 -81.5724 -50.5188 -81.572 -23.6417 213.857 -50.5198 213.857 -122.761 GPRESSURE: 497400 -77.8535 -113.023 -140.56 -39.6545 3.68903 193.904 24.829 273.352 -142.032 PRESSAVG: 497400 17.9888 27.8469 -43.8987 27.8469 10.882 41.7865 -43.8989 41.7865 16.0795 GPRESSAVG: 497400 16.1818 26.833 -45.0204 29.3436 11.4638 44.0168 -44.5006 39.3675 17.4347 TIMING: 497400 CPU: 1491.92, 0.00301569/step Wall: 1491.92, 0.00301569/step, 3.77179 hours remaining, 206.714844 MB of memory in use. ENERGY: 497400 737.3319 2078.0837 1947.7701 114.6228 -206105.5973 17706.6352 0.0000 0.0000 34353.3880 -149167.7657 300.0167 -183521.1537 -149078.6665 299.3894 -102.0039 -72.0654 556085.8439 14.9834 15.0267 PRESSURE: 497600 -312.317 33.6868 -31.5387 33.6876 -56.3139 -76.8675 -31.5387 -76.8688 215.371 GPRESSURE: 497600 -262.742 96.532 -120.017 38.1488 14.5826 -92.2507 26.7971 -131.885 199.94 PRESSAVG: 497600 3.76912 35.9443 45.9731 35.9443 -26.3936 47.3043 45.9731 47.3045 17.301 GPRESSAVG: 497600 4.69988 37.4977 42.869 35.2255 -26.4713 45.2919 47.4637 48.8601 16.7698 TIMING: 497600 CPU: 1492.53, 0.00302146/step Wall: 1492.53, 0.00302146/step, 3.77884 hours remaining, 206.714844 MB of memory in use. ENERGY: 497600 738.2576 2086.0442 1931.9255 103.6984 -205817.5905 17510.4446 0.0000 0.0000 34149.1669 -149298.0533 298.2332 -183447.2202 -149205.9589 299.2885 -51.0867 -16.0732 557699.4015 -1.7745 -1.6672 PRESSURE: 497800 19.2533 -189.064 -86.093 -189.064 -61.3141 117.535 -86.0923 117.534 101.75 GPRESSURE: 497800 83.7247 -135.341 -100.661 -137.593 -11.8625 27.6255 -48.4936 152.933 88.0409 PRESSAVG: 497800 -59.0307 36.9644 35.6952 36.9644 2.23266 32.8592 35.6952 32.8592 57.3815 GPRESSAVG: 497800 -57.9142 36.3755 36.8673 35.9261 2.18617 33.6434 36.038 31.7323 56.4567 TIMING: 497800 CPU: 1493.13, 0.00302636/step Wall: 1493.13, 0.00302636/step, 3.7848 hours remaining, 206.714844 MB of memory in use. ENERGY: 497800 746.3314 2040.1904 1920.3982 121.2157 -206130.9613 17807.1981 0.0000 0.0000 34294.7094 -149200.9181 299.5042 -183495.6275 -149115.5736 298.6823 19.8964 53.3010 556501.1672 0.1945 0.2429 PRESSURE: 498000 -324.804 10.0604 -78.7527 10.0591 -82.0006 259.367 -78.7505 259.366 201.408 GPRESSURE: 498000 -259.567 -65.2171 -201.076 49.1539 -88.3631 230.553 -18.3058 214.699 244.523 PRESSAVG: 498000 -37.9748 -27.0947 -72.2836 -27.0946 -22.2816 36.4821 -72.2837 36.482 7.82094 GPRESSAVG: 498000 -37.5398 -26.2997 -72.2258 -26.3754 -23.4326 36.6092 -71.0452 38.3825 8.55486 TIMING: 498000 CPU: 1493.73, 0.00301072/step Wall: 1493.73, 0.00301072/step, 3.76507 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: 498000 765.7746 2115.8754 1910.0372 124.3915 -206039.0514 17768.0350 0.0000 0.0000 34246.6440 -149108.2937 299.0845 -183354.9377 -149007.7672 299.2619 -68.4657 -34.4690 556552.7526 -17.4785 -17.4725 PRESSURE: 498200 -61.4178 87.7225 -73.8134 87.7221 -192.018 -20.5204 -73.8137 -20.52 -132.444 GPRESSURE: 498200 -31.1834 150.931 -126.186 32.3164 -149.18 82.3941 -55.4649 -66.23 -108.8 PRESSAVG: 498200 -8.30532 13.7593 13.5413 13.7593 -37.4848 -20.2609 13.5413 -20.2609 11.8646 GPRESSAVG: 498200 -9.54129 13.1353 14.3813 13.1218 -36.1945 -22.8601 12.2812 -19.4292 10.9724 TIMING: 498200 CPU: 1494.34, 0.003027/step Wall: 1494.34, 0.003027/step, 3.78526 hours remaining, 206.714844 MB of memory in use. ENERGY: 498200 753.4167 2073.5380 1929.5574 105.7745 -205858.8573 17512.1070 0.0000 0.0000 34245.7028 -149238.7609 299.0762 -183484.4637 -149144.7784 299.3178 -128.6265 -96.3877 557066.0808 -11.3085 -11.5878 PRESSURE: 498400 147.877 -15.7257 -18.4832 -15.7261 123.28 -11.2621 -18.4821 -11.2617 -6.55955 GPRESSURE: 498400 206.129 -46.6585 -19.5836 57.7721 140.04 -87.25 -35.2479 7.38955 19.1473 PRESSAVG: 498400 -0.697937 11.5164 55.8564 11.5164 26.6887 -27.621 55.8563 -27.621 -2.53796 GPRESSAVG: 498400 0.319584 10.1094 56.4651 13.5352 27.5762 -26.1991 57.2402 -27.9432 -4.85679 TIMING: 498400 CPU: 1494.94, 0.00299877/step Wall: 1494.94, 0.00299877/step, 3.7498 hours remaining, 206.714844 MB of memory in use. ENERGY: 498400 732.3578 2128.2221 1909.5775 107.2441 -206672.3040 18030.7751 0.0000 0.0000 34209.5908 -149554.5365 298.7609 -183764.1273 -149462.7238 299.2788 88.1990 121.7724 556641.5067 7.8176 7.6797 PRESSURE: 498600 -130.434 -107.211 2.4204 -107.211 222.023 -97.7692 2.42104 -97.7689 -0.630563 GPRESSURE: 498600 -111.429 -132.594 36.0789 -103.251 240.286 -111.199 3.8154 -109.796 48.3767 PRESSAVG: 498600 -4.34266 36.6053 31.2226 36.6053 15.0392 -24.2307 31.2225 -24.2305 -67.5236 GPRESSAVG: 498600 -5.95051 37.7558 31.2197 35.6575 14.4101 -23.1269 29.3617 -26.632 -65.705 TIMING: 498600 CPU: 1495.54, 0.00301972/step Wall: 1495.54, 0.00301972/step, 3.77582 hours remaining, 206.714844 MB of memory in use. ENERGY: 498600 724.4645 2121.6114 1918.7622 122.8224 -206643.6107 17932.7448 0.0000 0.0000 34313.2513 -149509.9540 299.6662 -183823.2053 -149419.3687 298.1708 30.3197 59.0781 558383.1632 -18.9424 -19.0818 PRESSURE: 498800 109.504 -23.1632 -85.4251 -23.1629 124.778 -256.157 -85.4239 -256.156 -109.355 GPRESSURE: 498800 165.504 15.342 -78.8533 -87.4279 88.2911 -307.021 -159.017 -193.586 -36.9433 PRESSAVG: 498800 -42.4346 -43.042 -8.87337 -43.042 83.7492 -18.3677 -8.87345 -18.3676 -13.577 GPRESSAVG: 498800 -40.8372 -42.7293 -10.9051 -42.1427 82.5976 -18.5719 -9.26202 -17.8136 -14.2914 TIMING: 498800 CPU: 1496.15, 0.00304151/step Wall: 1496.15, 0.00304151/step, 3.80291 hours remaining, 206.714844 MB of memory in use. ENERGY: 498800 730.7777 2044.5684 1920.8107 108.7905 -206457.7830 17907.7979 0.0000 0.0000 34201.4374 -149543.6004 298.6897 -183745.0378 -149440.4284 297.7008 41.6426 72.2839 557287.1252 9.2459 9.1563 PRESSURE: 499000 -137.293 24.5537 0.325513 24.5537 -11.5165 26.1229 0.32417 26.1227 -85.4786 GPRESSURE: 499000 -93.5166 21.5049 20.4745 37.7897 62.1395 55.5703 -46.486 -47.1436 -106.634 PRESSAVG: 499000 29.1062 12.8763 2.45387 12.8765 0.469754 -16.059 2.45381 -16.059 -18.2222 GPRESSAVG: 499000 28.2762 10.928 3.21619 12.6669 1.06456 -18.2111 4.45761 -12.6974 -17.9239 TIMING: 499000 CPU: 1496.76, 0.00302296/step Wall: 1496.76, 0.00302296/step, 3.77954 hours remaining, 206.714844 MB of memory in use. ENERGY: 499000 745.8396 2132.2204 1944.5964 109.2806 -206504.2467 17932.6601 0.0000 0.0000 34068.6953 -149570.9542 297.5304 -183639.6495 -149481.5117 298.2351 -78.0959 -46.0039 557559.8834 3.7846 3.8056 PRESSURE: 499200 -172.773 32.7633 -96.2926 32.7632 231.186 178.939 -96.293 178.939 -2.82712 GPRESSURE: 499200 -136.535 35.2297 -200.959 -25.7538 261.065 251.421 -57.4229 109.84 22.8836 PRESSAVG: 499200 -36.9659 1.83985 -19.6667 1.83979 57.288 42.4172 -19.6666 42.4172 -34.7365 GPRESSAVG: 499200 -37.921 4.5639 -20.8887 -0.95488 56.5251 44.3325 -19.8597 39.8977 -33.6214 TIMING: 499200 CPU: 1497.36, 0.00300211/step Wall: 1497.36, 0.00300211/step, 3.7533 hours remaining, 206.714844 MB of memory in use. ENERGY: 499200 723.2157 2092.9598 1919.6120 106.6483 -206345.4120 17949.1114 0.0000 0.0000 34088.1437 -149465.7212 297.7002 -183553.8648 -149367.4463 297.7571 18.5287 49.1379 557759.8829 -4.8048 -5.0058 PRESSURE: 499400 233.658 104.017 -89.6504 104.018 157.123 -111.625 -89.6513 -111.626 -36.7418 GPRESSURE: 499400 304.396 41.7249 -35.5444 138.386 231.566 -58.9168 -92.5296 -109.127 -70.604 PRESSAVG: 499400 4.24758 8.78166 26.9681 8.7817 3.63539 38.7016 26.9681 38.7015 19.5235 GPRESSAVG: 499400 4.96329 7.59666 28.4978 10.9031 4.43664 40.5964 27.6804 39.7686 18.0819 TIMING: 499400 CPU: 1497.96, 0.00302328/step Wall: 1497.96, 0.00302328/step, 3.7796 hours remaining, 206.714844 MB of memory in use. ENERGY: 499400 725.7845 2099.6963 1947.2998 108.9401 -206667.2300 18088.9960 0.0000 0.0000 34247.9450 -149448.5683 299.0958 -183696.5132 -149355.4489 299.0685 118.0129 155.1195 556979.8158 9.1355 9.1606 PRESSURE: 499600 121.509 86.6971 172.854 86.6974 -63.5314 -259.984 172.852 -259.985 35.6922 GPRESSURE: 499600 136.404 80.2683 132.755 -9.27125 -70.1225 -214.275 106.218 -241.289 121.231 PRESSAVG: 499600 -26.6926 51.4626 2.44694 51.4625 51.1907 -55.5546 2.44696 -55.5545 -33.8965 GPRESSAVG: 499600 -26.9512 51.7956 3.61852 50.7262 50.4572 -57.9803 2.9219 -53.7839 -33.2564 TIMING: 499600 CPU: 1498.57, 0.00301787/step Wall: 1498.57, 0.00301787/step, 3.77267 hours remaining, 206.714844 MB of memory in use. ENERGY: 499600 725.3664 2078.9410 1969.7429 107.9771 -206700.9053 17964.8627 0.0000 0.0000 34222.0222 -149631.9931 298.8694 -183854.0153 -149530.6022 298.2990 31.2234 62.5040 556032.9058 -3.1328 -3.2501 PRESSURE: 499800 -33.62 12.8838 -54.7976 12.8851 209.996 41.6542 -54.7969 41.6539 -23.3092 GPRESSURE: 499800 24.2686 -105.052 -33.1946 75.79 181.801 111.15 -36.3242 -46.75 49.5376 PRESSAVG: 499800 -39.7531 22.4001 20.0634 22.4001 18.4378 -1.40427 20.0634 -1.40429 22.5706 GPRESSAVG: 499800 -38.4806 21.5657 19.9307 23.336 17.663 0.187449 18.6671 -3.7928 22.179 TIMING: 499800 CPU: 1499.17, 0.00302207/step Wall: 1499.17, 0.00302207/step, 3.77775 hours remaining, 206.714844 MB of memory in use. ENERGY: 499800 748.5054 2212.2511 1943.8172 113.7087 -206745.8379 17985.7098 0.0000 0.0000 34038.8777 -149702.9679 297.2700 -183741.8456 -149613.6552 298.5831 51.0223 85.2023 556483.5588 0.4184 0.4538 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 500000 WRITING COORDINATES TO RESTART FILE AT STEP 500000 FINISHED WRITING RESTART COORDINATES The last position output (seq=500000) takes 0.010 seconds, 206.715 MB of memory in use PRESSURE: 500000 22.9572 -85.5733 -93.9344 -85.5724 118.623 -31.8403 -93.9347 -31.8399 146.455 GPRESSURE: 500000 48.1358 -61.7678 -59.88 -72.5751 107.747 -73.8774 -171.188 -19.6299 251.065 PRESSAVG: 500000 -5.98518 11.3037 21.4951 11.3037 -12.5242 -31.2791 21.4951 -31.2791 62.3923 GPRESSAVG: 500000 -7.02015 13.0928 20.5557 9.094 -12.8638 -31.4399 22.7104 -31.8032 63.9842 TIMING: 500000 CPU: 1499.79, 0.00308795/step Wall: 1499.79, 0.00308795/step, 3.85994 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: 500000 739.7661 2106.2051 1935.1182 110.6845 -206570.3835 18028.8220 0.0000 0.0000 34173.8274 -149475.9603 298.4485 -183649.7877 -149384.2772 298.1898 96.0120 135.6491 557157.8321 14.6276 14.7001 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 500000 WRITING VELOCITIES TO RESTART FILE AT STEP 500000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=500000) takes 0.004 seconds, 206.840 MB of memory in use PRESSURE: 500200 -132.543 18.4835 28.3718 18.4837 10.5644 26.1266 28.3713 26.1286 54.4392 GPRESSURE: 500200 -131.805 -38.0498 25.5557 21.9597 96.9644 32.993 20.6445 29.3806 71.0118 PRESSAVG: 500200 37.8429 -13.2437 -7.3051 -13.2438 44.4376 -13.2282 -7.30508 -13.2282 -82.4357 GPRESSAVG: 500200 37.7509 -14.2962 -8.51074 -11.8414 45.8297 -13.5893 -6.65565 -11.93 -83.3245 TIMING: 500200 CPU: 1500.4, 0.0030542/step Wall: 1500.4, 0.0030542/step, 3.81758 hours remaining, 206.839844 MB of memory in use. ENERGY: 500200 749.2209 2132.6817 1914.0986 120.7677 -206528.4483 17929.0286 0.0000 0.0000 34240.5913 -149442.0594 299.0316 -183682.6507 -149345.6787 298.4610 -22.5130 12.0572 557299.6547 -0.0518 0.0854 LDB: ============= START OF LOAD BALANCING ============== 1503.92 LDB: ============== END OF LOAD BALANCING =============== 1503.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1503.92 LDB: ============= START OF LOAD BALANCING ============== 1504.22 LDB: Largest compute 4800 load 0.030981 is 26.3% of average load 0.117897 LDB: Average compute 0.001728 is 1.5% of average load 0.117897 LDB: TIME 1504.22 LOAD: AVG 0.117897 MAX 0.216483 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.41 MB LDB: TIME 1504.22 LOAD: AVG 0.117897 MAX 0.216483 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.414 MB LDB: TIME 1504.22 LOAD: AVG 0.117897 MAX 0.216483 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.414 MB LDB: ============== END OF LOAD BALANCING =============== 1504.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1504.23 PRESSURE: 500400 -228.314 77.7224 -106.842 77.7228 -186.712 -122.304 -106.843 -122.303 350.837 GPRESSURE: 500400 -158.314 110.323 -112.811 101.751 -193.798 -153.464 -26.6975 -134.308 378.824 PRESSAVG: 500400 5.04814 20.0701 -32.6748 20.0701 3.41262 -20.5771 -32.6747 -20.5771 18.9789 GPRESSAVG: 500400 5.16907 19.6551 -30.9424 21.312 3.97005 -19.8057 -32.9585 -19.5819 18.4665 TIMING: 500400 CPU: 1501.01, 0.00307452/step Wall: 1501.01, 0.00307452/step, 3.84281 hours remaining, 207.652344 MB of memory in use. ENERGY: 500400 776.3305 2076.7072 1931.9805 105.8860 -206087.9185 17632.0354 0.0000 0.0000 34035.2317 -149529.7472 297.2381 -183564.9789 -149438.9745 298.5408 -21.3966 8.9041 558628.9724 9.1466 9.2019 PRESSURE: 500600 131.498 73.8753 78.3273 73.8765 76.6462 54.4892 78.3264 54.489 -140.547 GPRESSURE: 500600 165.903 62.9227 80.9256 87.1781 111.347 20.1496 71.1799 11.552 -91.167 PRESSAVG: 500600 36.556 0.331663 -37.7824 0.33169 5.64083 5.87862 -37.7824 5.87854 -36.624 GPRESSAVG: 500600 37.1382 0.21417 -38.3754 -1.85883 4.77873 4.5727 -37.0319 5.50115 -36.6582 TIMING: 500600 CPU: 1501.62, 0.00302251/step Wall: 1501.62, 0.00302251/step, 3.77764 hours remaining, 207.652344 MB of memory in use. ENERGY: 500600 722.2822 2026.5274 1917.5457 113.2303 -206568.0934 18033.0663 0.0000 0.0000 34222.6897 -149532.7518 298.8753 -183755.4415 -149430.7481 298.3685 22.5324 62.0276 557340.4236 1.8576 1.7529 PRESSURE: 500800 -38.9865 185.722 145.901 185.723 -226.274 56.3547 145.901 56.3555 -71.3225 GPRESSURE: 500800 17.3839 87.5059 28.3378 257.304 -202.085 11.013 171.531 26.4291 -62.5645 PRESSAVG: 500800 21.6787 48.4748 -32.1943 48.4748 -9.60242 17.767 -32.1942 17.7672 -7.21368 GPRESSAVG: 500800 21.4175 49.1262 -31.2956 49.9971 -10.403 16.4685 -33.2451 18.6295 -6.75505 TIMING: 500800 CPU: 1502.22, 0.0029974/step Wall: 1502.22, 0.0029974/step, 3.74608 hours remaining, 207.652344 MB of memory in use. ENERGY: 500800 778.3056 2071.9250 1942.6345 123.6155 -206141.7982 17696.2414 0.0000 0.0000 34010.0838 -149518.9924 297.0185 -183529.0762 -149423.5944 298.6626 -112.1943 -82.4218 557863.9074 1.6209 1.4198 PRESSURE: 501000 -144.647 18.5105 -72.5693 18.5104 48.7167 -83.6824 -72.57 -83.6818 -127.511 GPRESSURE: 501000 -145.363 24.6958 17.1754 47.1701 113.641 -102.13 -125.066 -121.296 -93.2698 PRESSAVG: 501000 10.3342 -0.40711 -7.15004 -0.4071 -4.82463 47.0774 -7.14996 47.0775 -4.28543 GPRESSAVG: 501000 9.64899 -1.17233 -6.1833 0.577569 -3.29091 48.591 -8.0461 45.1049 -5.54144 TIMING: 501000 CPU: 1502.82, 0.00299545/step Wall: 1502.82, 0.00299545/step, 3.74348 hours remaining, 207.652344 MB of memory in use. ENERGY: 501000 774.1937 2115.3880 1928.6644 112.6594 -206321.4039 17933.6994 0.0000 0.0000 33982.0591 -149474.7398 296.7738 -183456.7990 -149377.9563 298.5398 -74.4805 -41.6640 558386.4419 0.4080 0.2722 PRESSURE: 501200 -134.34 -88.5652 52.1174 -88.5652 132.284 20.6655 52.1178 20.6669 -161.776 GPRESSURE: 501200 -88.2117 -9.35996 118.295 -107.503 126.849 45.0384 -27.8312 48.1373 -85.9153 PRESSAVG: 501200 -66.5319 17.0936 -2.53636 17.0935 1.1318 36.293 -2.53636 36.2929 36.7527 GPRESSAVG: 501200 -66.8739 16.9465 -3.3995 16.1096 1.07129 37.1321 -1.13621 37.5005 37.7306 TIMING: 501200 CPU: 1503.42, 0.00304469/step Wall: 1503.42, 0.00304469/step, 3.80484 hours remaining, 207.652344 MB of memory in use. ENERGY: 501200 721.7485 2104.9679 1972.8577 124.9316 -206381.5966 17731.8855 0.0000 0.0000 34127.6791 -149597.5262 298.0455 -183725.2053 -149507.1457 297.7613 -54.6110 -15.7594 557032.2052 -9.5491 -9.3573 PRESSURE: 501400 1.53478 -63.319 22.5428 -63.3192 128.9 -78.3927 22.5421 -78.3916 140.329 GPRESSURE: 501400 10.2438 -61.6262 27.288 -130.023 88.2703 -59.5889 44.2279 -90.4121 266.472 PRESSAVG: 501400 6.10833 -41.1954 2.61266 -41.1953 28.5676 18.5987 2.6126 18.5987 10.5992 GPRESSAVG: 501400 5.80515 -39.1902 2.78375 -43.1077 27.7102 17.3317 4.23945 19.1431 11.3162 TIMING: 501400 CPU: 1504.03, 0.00302141/step Wall: 1504.03, 0.00302141/step, 3.77559 hours remaining, 207.652344 MB of memory in use. ENERGY: 501400 742.3384 2125.9860 1914.5259 118.8282 -207078.9459 18291.6431 0.0000 0.0000 34412.7605 -149472.8639 300.5352 -183885.6244 -149381.0323 298.8132 90.2547 121.6620 557345.7665 15.0917 14.9438 PRESSURE: 501600 -134.981 103.732 -50.7698 103.732 4.10042 -128.162 -50.7697 -128.161 37.6114 GPRESSURE: 501600 -101.41 121.616 -89.1072 0.728385 19.8809 -96.1929 -43.5449 -110.642 72.6858 PRESSAVG: 501600 -20.2795 -6.4489 27.3571 -6.44887 -12.8373 28.5617 27.3572 28.5617 11.5454 GPRESSAVG: 501600 -19.3338 -7.57296 28.5157 -3.85122 -12.732 27.3446 25.0015 27.4938 10.295 TIMING: 501600 CPU: 1504.63, 0.00300942/step Wall: 1504.63, 0.00300942/step, 3.76044 hours remaining, 207.652344 MB of memory in use. ENERGY: 501600 729.9468 2108.5734 1949.1890 109.3373 -206122.9495 17755.8500 0.0000 0.0000 33942.7636 -149527.2893 296.4306 -183470.0529 -149440.1940 299.5538 -31.0896 -2.9478 557257.7018 -7.1905 -7.2569 PRESSURE: 501800 -241.055 -16.5224 27.4373 -16.5215 -97.3883 273.21 27.438 273.209 -210.142 GPRESSURE: 501800 -224.021 -18.9805 63.6651 -92.8458 -45.953 146.595 -22.3066 217.517 -167.035 PRESSAVG: 501800 56.7337 24.4987 54.5709 24.4988 20.0082 7.69717 54.571 7.69708 -68.7958 GPRESSAVG: 501800 56.2915 25.2422 52.9485 22.2872 19.888 7.95559 55.4471 8.91179 -67.6055 TIMING: 501800 CPU: 1505.23, 0.00299763/step Wall: 1505.23, 0.00299763/step, 3.74554 hours remaining, 207.652344 MB of memory in use. ENERGY: 501800 740.2938 2117.7563 1953.1129 90.4681 -206227.4984 17759.6893 0.0000 0.0000 33964.5790 -149601.5990 296.6211 -183566.1780 -149507.1420 298.3812 -182.8617 -145.6696 558155.4414 2.6487 2.8580 PRESSURE: 502000 78.5619 179.569 -92.4554 179.57 191.24 -9.17416 -92.4558 -9.17355 -33.6787 GPRESSURE: 502000 103.383 239.813 -43.2576 173.079 255.315 -81.6938 -108.949 11.8571 -20.2657 PRESSAVG: 502000 12.5952 58.5471 -2.08527 58.5471 24.0092 65.9552 -2.08521 65.9551 -74.7303 GPRESSAVG: 502000 12.833 57.1831 -1.9741 62.7694 23.4814 67.167 -0.778457 64.1646 -74.798 TIMING: 502000 CPU: 1505.83, 0.00300113/step Wall: 1505.83, 0.00300113/step, 3.74974 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: 502000 725.5704 2057.6263 1939.9334 116.9238 -206452.8726 17973.6029 0.0000 0.0000 34089.9709 -149549.2449 297.7162 -183639.2159 -149459.2155 297.8819 78.7079 112.8109 556225.2224 -12.7086 -12.8279 PRESSURE: 502200 -202.015 -33.0433 -62.2233 -33.0435 28.4844 -105.785 -62.2234 -105.786 71.1687 GPRESSURE: 502200 -197.929 -66.613 -85.8707 23.3244 25.5878 -25.3347 -77.6937 -170.851 174.512 PRESSAVG: 502200 -1.79415 48.5555 10.4462 48.5556 63.7981 -23.1313 10.4462 -23.1313 -19.855 GPRESSAVG: 502200 -1.52699 49.0083 9.68973 44.3348 63.2744 -22.3358 7.96546 -21.9003 -19.9226 TIMING: 502200 CPU: 1506.43, 0.0030066/step Wall: 1506.43, 0.0030066/step, 3.75641 hours remaining, 207.652344 MB of memory in use. ENERGY: 502200 746.2516 2058.2701 1931.5427 114.2359 -206194.0538 17887.4974 0.0000 0.0000 34072.0750 -149384.1810 297.5599 -183456.2560 -149290.1051 298.6551 -34.1208 0.7237 557246.3813 14.0496 13.9416 PRESSURE: 502400 -62.9702 -34.6418 8.30353 -34.6428 -290.766 203.856 8.30348 203.857 25.0687 GPRESSURE: 502400 -76.5127 -54.8808 -33.7861 -57.1668 -176.028 282.256 -19.13 133.072 19.0795 PRESSAVG: 502400 -25.1342 -31.6514 -23.7095 -31.6514 3.6665 -11.0445 -23.7094 -11.0445 19.6046 GPRESSAVG: 502400 -24.9686 -31.2285 -23.5195 -30.6473 3.80602 -11.4664 -21.47 -10.6904 18.4539 TIMING: 502400 CPU: 1507.03, 0.00299425/step Wall: 1507.03, 0.00299425/step, 3.74081 hours remaining, 207.652344 MB of memory in use. ENERGY: 502400 746.6516 2063.1914 1977.9396 126.4085 -206033.0266 17665.5686 0.0000 0.0000 34410.7181 -149042.5488 300.5174 -183453.2669 -148949.4431 298.7269 -109.5559 -77.8206 558006.8788 -0.6210 -0.9029 PRESSURE: 502600 -117.904 57.1732 -31.2889 57.1741 -182.931 -105.328 -31.2884 -105.327 -114.957 GPRESSURE: 502600 -90.7138 30.1402 -71.5331 34.0809 -133.938 -115.599 -12.3356 -88.9713 -96.6785 PRESSAVG: 502600 2.54402 43.7993 5.61243 43.7993 -34.2289 4.44653 5.61242 4.44647 -8.17858 GPRESSAVG: 502600 2.07704 42.4773 6.38246 43.7788 -34.1912 5.66212 3.94703 2.35455 -7.15308 TIMING: 502600 CPU: 1507.63, 0.00301643/step Wall: 1507.63, 0.00301643/step, 3.76835 hours remaining, 207.652344 MB of memory in use. ENERGY: 502600 749.3086 2109.6696 1949.5266 107.7480 -205738.1426 17609.7384 0.0000 0.0000 34138.1648 -149073.9866 298.1371 -183212.1515 -148977.6880 299.4965 -138.5971 -107.1101 558385.3794 -13.2878 -13.0891 PRESSURE: 502800 -23.1674 60.6122 200.396 60.6113 208.204 86.953 200.396 86.9523 -274.656 GPRESSURE: 502800 -8.22117 71.5459 296.081 49.8101 215.874 2.2331 196.736 172.9 -216.409 PRESSAVG: 502800 22.501 17.4578 -23.619 17.4579 16.6893 -31.6347 -23.619 -31.6348 -16.7762 GPRESSAVG: 502800 23.8002 16.5891 -23.9212 16.9337 16.4925 -31.2135 -22.364 -31.963 -18.3026 TIMING: 502800 CPU: 1508.24, 0.00302575/step Wall: 1508.24, 0.00302575/step, 3.77983 hours remaining, 207.652344 MB of memory in use. ENERGY: 502800 768.0072 2049.5478 1951.3986 110.7464 -206175.0493 17900.7782 0.0000 0.0000 34232.2155 -149162.3556 298.9585 -183394.5711 -149067.9271 299.9133 -29.8730 -2.9187 558440.2597 7.4714 7.3300 PRESSURE: 503000 286.488 17.6346 171.893 17.6336 76.9954 -32.4045 171.893 -32.4054 -106.291 GPRESSURE: 503000 252.185 -19.9699 118.035 102.287 78.2698 52.7118 216.209 -93.8384 23.9719 PRESSAVG: 503000 15.2354 14.4263 40.3907 14.4263 55.4476 9.82949 40.3907 9.82933 -24.2883 GPRESSAVG: 503000 14.0291 17.3275 40.0753 15.9449 56.4461 8.37311 40.6782 9.19608 -23.7517 TIMING: 503000 CPU: 1508.84, 0.00302496/step Wall: 1508.84, 0.00302496/step, 3.77868 hours remaining, 207.652344 MB of memory in use. ENERGY: 503000 733.6741 2033.7641 1929.3805 111.7135 -206313.5216 17977.8568 0.0000 0.0000 34164.3184 -149362.8143 298.3655 -183527.1327 -149264.6006 299.3060 85.7307 118.1422 557928.9388 15.4649 15.5745 PRESSURE: 503200 -261.109 -174.06 -102.295 -174.061 138.606 -67.8243 -102.293 -67.8244 -176.628 GPRESSURE: 503200 -251.747 -241.459 -150.591 -154.901 123.647 -27.9682 -96.5935 -100.638 -67.122 PRESSAVG: 503200 7.18753 15.7774 38.5076 15.7774 18.9334 -20.4047 38.5077 -20.4046 -21.7342 GPRESSAVG: 503200 6.85629 16.0849 38.2809 12.9506 19.1382 -22.8132 38.48 -18.1904 -21.2854 TIMING: 503200 CPU: 1509.45, 0.00303165/step Wall: 1509.45, 0.00303165/step, 3.78687 hours remaining, 207.652344 MB of memory in use. ENERGY: 503200 701.2973 2075.4311 1914.9677 100.9641 -206087.9891 17658.0111 0.0000 0.0000 34281.0510 -149356.2668 299.3849 -183637.3178 -149253.8255 298.4653 -99.7102 -65.0738 557355.9486 1.4622 1.5697 PRESSURE: 503400 140.48 -162.487 84.0324 -162.486 199.789 16.1672 84.0311 16.1639 37.4371 GPRESSURE: 503400 153.307 -123.658 83.8544 -149.789 246.681 59.6514 154.687 -18.215 71.9045 PRESSAVG: 503400 38.5895 25.2336 -19.8748 25.2336 39.3828 -39.3675 -19.8748 -39.3675 -42.1123 GPRESSAVG: 503400 40.3198 24.6796 -18.5934 25.8714 37.3966 -37.7168 -20.625 -40.5136 -41.9985 TIMING: 503400 CPU: 1510.06, 0.00303737/step Wall: 1510.06, 0.00303737/step, 3.79384 hours remaining, 207.652344 MB of memory in use. ENERGY: 503400 761.9752 2154.2077 1898.7282 125.4078 -206696.1167 18040.8820 0.0000 0.0000 34371.3281 -149343.5876 300.1734 -183714.9158 -149243.5017 299.0543 125.9018 157.2972 554933.5990 11.9533 11.9060 PRESSURE: 503600 -89.8776 62.5246 -88.9929 62.524 -74.7829 -21.2627 -88.9939 -21.2628 169.331 GPRESSURE: 503600 -37.6091 45.8037 -55.3987 -9.98581 -36.7208 -27.2807 -138.566 -14.0357 182.27 PRESSAVG: 503600 25.0074 -36.62 52.7954 -36.62 -17.7953 -13.8305 52.7955 -13.8305 -20.3826 GPRESSAVG: 503600 25.0254 -35.2557 52.0758 -36.8176 -17.6346 -14.0581 52.6054 -13.2627 -20.0297 TIMING: 503600 CPU: 1510.66, 0.0030293/step Wall: 1510.66, 0.0030293/step, 3.7836 hours remaining, 207.652344 MB of memory in use. ENERGY: 503600 738.7627 2136.2100 1948.5327 116.4602 -206290.7114 17818.5252 0.0000 0.0000 34224.4439 -149307.7767 298.8906 -183532.2206 -149213.3269 298.8970 1.5569 35.9802 557126.9455 -4.3902 -4.2130 PRESSURE: 503800 300.651 -97.1422 -101.142 -97.1411 33.3995 35.4922 -101.143 35.4913 9.35977 GPRESSURE: 503800 362.305 -113.277 -72.4212 -137.186 67.0345 -14.4306 -214.765 -3.72304 17.114 PRESSAVG: 503800 72.3447 41.3106 -68.0781 41.3106 -32.9212 11.6618 -68.0782 11.6618 -4.72237 GPRESSAVG: 503800 71.2694 39.5111 -67.679 41.1945 -31.7731 11.4221 -68.0033 10.6327 -4.48073 TIMING: 503800 CPU: 1511.26, 0.0030012/step Wall: 1511.26, 0.0030012/step, 3.74833 hours remaining, 207.652344 MB of memory in use. ENERGY: 503800 725.0017 2070.5360 1969.4886 114.0184 -206332.0096 17823.1359 0.0000 0.0000 34350.1200 -149279.7090 299.9881 -183629.8291 -149189.8249 298.3864 114.4699 148.8179 556096.1036 11.5670 11.6719 PRESSURE: 504000 -213.124 -60.1264 165.372 -60.1266 -93.4224 -69.1179 165.374 -69.1194 -152.822 GPRESSURE: 504000 -140.521 -1.9552 115.932 -75.3628 -79.0622 -133.209 267.906 57.3902 -141.385 PRESSAVG: 504000 56.8177 -52.6433 5.00918 -52.6433 59.8025 0.810809 5.00921 0.810897 -78.1285 GPRESSAVG: 504000 58.0001 -52.6481 5.89398 -51.4247 59.2901 -0.564451 4.63967 1.08219 -78.7489 TIMING: 504000 CPU: 1511.87, 0.00303059/step Wall: 1511.87, 0.00303059/step, 3.78487 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: 504000 751.9231 2108.6762 1945.6772 106.6712 -206078.3423 17660.3639 0.0000 0.0000 34207.8638 -149297.1668 298.7458 -183505.0306 -149195.6816 299.0199 -153.1226 -120.3229 557740.6735 12.8306 12.8471 PRESSURE: 504200 -1.65312 -137.587 17.5502 -137.586 -99.3363 -68.7626 17.5503 -68.763 -159.88 GPRESSURE: 504200 65.478 -104.169 1.98454 -161.748 -59.5611 -75.849 107.782 -72.1591 -165.846 PRESSAVG: 504200 30.6609 -29.7797 -7.2018 -29.7797 -49.1551 14.2376 -7.20186 14.2377 -3.09462 GPRESSAVG: 504200 29.8733 -30.7666 -7.8728 -28.7567 -49.3138 16.704 -5.85228 13.3083 -1.81746 TIMING: 504200 CPU: 1512.47, 0.00301377/step Wall: 1512.47, 0.00301377/step, 3.7637 hours remaining, 207.652344 MB of memory in use. ENERGY: 504200 763.3989 2108.7596 1938.7393 114.6129 -206287.6406 17934.9192 0.0000 0.0000 34266.7265 -149160.4843 299.2598 -183427.2107 -149061.1826 299.3852 -86.9565 -53.3096 559728.3073 -7.1963 -7.0860 LDB: ============= START OF LOAD BALANCING ============== 1515.99 LDB: ============== END OF LOAD BALANCING =============== 1515.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1515.99 LDB: ============= START OF LOAD BALANCING ============== 1516.29 LDB: Largest compute 4800 load 0.032868 is 27.9% of average load 0.117889 LDB: Average compute 0.001735 is 1.5% of average load 0.117889 LDB: TIME 1516.29 LOAD: AVG 0.117889 MAX 0.211033 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.023 MB LDB: TIME 1516.29 LOAD: AVG 0.117889 MAX 0.211033 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.023 MB LDB: TIME 1516.29 LOAD: AVG 0.117889 MAX 0.211033 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.023 MB LDB: ============== END OF LOAD BALANCING =============== 1516.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1516.3 PRESSURE: 504400 -126.301 35.5606 137.693 35.5602 -176.508 169.875 137.693 169.875 -138.661 GPRESSURE: 504400 -144.872 14.0502 172.502 17.7177 -133.227 171.414 90.5437 185.633 -78.9753 PRESSAVG: 504400 2.76929 5.955 -2.10217 5.95495 40.5894 6.16204 -2.10228 6.16213 -54.4785 GPRESSAVG: 504400 2.96932 4.04184 -0.93427 4.94003 41.9233 3.5898 -4.077 5.3548 -56.0101 TIMING: 504400 CPU: 1513.08, 0.00304809/step Wall: 1513.08, 0.00304809/step, 3.80638 hours remaining, 207.535156 MB of memory in use. ENERGY: 504400 738.0321 2119.6956 1922.2218 115.0205 -205790.5642 17430.8325 0.0000 0.0000 34336.4334 -149128.3282 299.8686 -183464.7616 -149026.5000 299.2986 -147.1566 -119.0249 557179.8043 -3.7066 -3.7058 PRESSURE: 504600 -45.1736 -69.5032 -173.156 -69.5032 -377.137 29.9768 -173.155 29.9769 -375.145 GPRESSURE: 504600 -54.4057 -67.3354 -235.952 -35.0353 -347.258 48.3149 -191.624 2.92086 -297.094 PRESSAVG: 504600 3.37299 -29.7751 -13.3928 -29.7751 17.9421 15.7769 -13.3927 15.777 -6.06154 GPRESSAVG: 504600 2.97936 -27.8956 -14.8251 -27.3691 17.1689 16.1957 -11.6874 17.6218 -4.92171 TIMING: 504600 CPU: 1513.68, 0.00298729/step Wall: 1513.68, 0.00298729/step, 3.73029 hours remaining, 207.535156 MB of memory in use. ENERGY: 504600 756.7873 2127.7154 1918.7662 106.0994 -205697.8481 17371.6398 0.0000 0.0000 34298.2962 -149118.5438 299.5356 -183416.8400 -149024.3173 299.4761 -265.8186 -232.9195 557674.7769 5.0845 5.0755 PRESSURE: 504800 22.5267 -141.139 35.2508 -141.14 -7.25884 7.68027 35.2514 7.68008 117.295 GPRESSURE: 504800 50.925 -218.285 69.9106 -90.6382 43.3005 21.3241 56.9056 -24.5138 137.357 PRESSAVG: 504800 -48.55 -1.8805 60.509 -1.88053 13.1668 -46.86 60.5091 -46.86 44.7681 GPRESSAVG: 504800 -48.2959 -0.353592 60.4432 -4.80457 13.863 -46.5161 60.2011 -49.0604 44.2348 TIMING: 504800 CPU: 1514.27, 0.00297329/step Wall: 1514.27, 0.00297329/step, 3.71265 hours remaining, 207.535156 MB of memory in use. ENERGY: 504800 755.1131 2062.8046 1913.3625 121.4501 -206172.2787 17824.4191 0.0000 0.0000 34349.8950 -149145.2342 299.9862 -183495.1292 -149047.0776 299.7862 44.1877 77.1940 557598.6969 3.1283 3.2673 PRESSURE: 505000 -98.8175 -36.1252 -66.4411 -36.1249 -31.6201 -25.5067 -66.4423 -25.5085 -145.786 GPRESSURE: 505000 -122.187 -109.984 -79.633 31.3419 -50.7821 -20.1665 5.21899 -5.62617 -14.4907 PRESSAVG: 505000 -29.5052 -38.6608 42.6359 -38.6608 21.8852 -12.9634 42.6358 -12.9635 -2.5817 GPRESSAVG: 505000 -29.5663 -39.2372 43.6265 -37.9544 22.1714 -14.3616 44.5858 -10.0791 -2.65932 TIMING: 505000 CPU: 1514.87, 0.00299884/step Wall: 1514.87, 0.00299884/step, 3.74439 hours remaining, 207.535156 MB of memory in use. ENERGY: 505000 785.9307 2063.3061 1948.4817 111.0884 -206060.9519 17689.1070 0.0000 0.0000 34256.9903 -149206.0477 299.1748 -183463.0380 -149106.9538 300.0241 -92.0744 -62.4866 557526.7230 -3.4006 -3.3514 PRESSURE: 505200 -152.737 -82.4881 -44.0334 -82.4871 -240.71 21.3578 -44.0329 21.3577 -50.9456 GPRESSURE: 505200 -136.054 -66.5729 -64.3168 -62.1287 -152.585 -17.6598 -62.955 27.4835 -66.9762 PRESSAVG: 505200 29.6671 -38.358 -52.9213 -38.358 52.1786 -26.7349 -52.9213 -26.7348 -49.654 GPRESSAVG: 505200 29.8353 -36.6942 -52.5658 -38.0611 52.0912 -26.4639 -54.0694 -28.5712 -49.5098 TIMING: 505200 CPU: 1515.47, 0.00299633/step Wall: 1515.47, 0.00299633/step, 3.74109 hours remaining, 207.535156 MB of memory in use. ENERGY: 505200 691.4237 2090.8093 1909.4241 108.6404 -205732.7376 17354.8848 0.0000 0.0000 34301.3402 -149276.2152 299.5621 -183577.5554 -149181.6872 299.7800 -148.1308 -118.5385 558211.3353 10.7306 10.8056 PRESSURE: 505400 -50.0301 -82.2757 40.702 -82.2743 -242.341 228.192 40.7024 228.192 -244.551 GPRESSURE: 505400 -21.3321 -82.3673 -20.6401 -68.6847 -182.448 108.555 84.3537 249.639 -239.901 PRESSAVG: 505400 22.1095 27.6307 -4.0136 27.6307 -6.88229 87.4918 -4.01364 87.4917 30.5132 GPRESSAVG: 505400 21.8284 24.4151 -6.5398 28.5167 -5.78731 87.8826 -4.48121 85.7206 29.5389 TIMING: 505400 CPU: 1516.07, 0.00299027/step Wall: 1516.07, 0.00299027/step, 3.73335 hours remaining, 207.535156 MB of memory in use. ENERGY: 505400 757.7861 2107.3433 1936.4489 113.6017 -205947.9160 17556.8193 0.0000 0.0000 34169.9957 -149305.9209 298.4151 -183475.9166 -149203.1022 299.5320 -178.9740 -147.8939 557777.2388 15.2468 15.1933 PRESSURE: 505600 -45.7826 -28.4424 54.2035 -28.4433 -103.088 169.094 54.2044 169.095 -91.0075 GPRESSURE: 505600 -32.8124 -45.0902 86.1882 -15.2369 -16.4068 171.394 -25.8773 70.5069 -83.2013 PRESSAVG: 505600 75.7475 -3.95362 36.525 -3.9536 -24.4969 37.8558 36.5248 37.8558 -79.345 GPRESSAVG: 505600 75.8165 -3.15474 37.1143 -5.16667 -23.7021 37.4969 37.4947 41.5694 -80.2715 TIMING: 505600 CPU: 1516.67, 0.00299964/step Wall: 1516.67, 0.00299964/step, 3.74489 hours remaining, 207.535156 MB of memory in use. ENERGY: 505600 767.9332 2018.6114 1924.4928 108.5140 -206398.6321 17896.9556 0.0000 0.0000 34313.0953 -149369.0298 299.6648 -183682.1251 -149271.7426 298.7354 -79.9594 -44.1402 556955.6156 -9.3648 -9.3857 PRESSURE: 505800 -42.9164 12.8011 -136.964 12.8001 -345.687 48.6458 -136.963 48.6454 -317.808 GPRESSURE: 505800 -9.09771 35.3188 -191.535 2.72848 -321.545 55.0581 -125.765 56.7868 -274.345 PRESSAVG: 505800 -29.8197 25.3611 -10.1483 25.3611 11.0054 13.7999 -10.1481 13.7997 -11.6499 GPRESSAVG: 505800 -29.9629 24.6275 -8.21597 26.7306 9.75365 14.5358 -11.3347 12.1529 -10.2765 TIMING: 505800 CPU: 1517.27, 0.00299753/step Wall: 1517.27, 0.00299753/step, 3.74208 hours remaining, 207.535156 MB of memory in use. ENERGY: 505800 782.3842 2123.0870 1944.7044 123.8092 -206306.6920 17717.5964 0.0000 0.0000 34195.8295 -149419.2813 298.6407 -183615.1108 -149321.2376 299.3066 -235.4706 -201.6625 558483.0678 -10.1547 -10.1619 PRESSURE: 506000 -170.997 -28.5464 -164.318 -28.5471 -25.7746 219.649 -164.318 219.65 -45.4011 GPRESSURE: 506000 -168.829 -97.9226 -89.2606 33.0771 10.6454 184.693 -303.655 258.254 14.5977 PRESSAVG: 506000 -4.3234 -4.63624 -67.5609 -4.63611 49.0804 86.3319 -67.5608 86.3319 -40.062 GPRESSAVG: 506000 -3.54456 -3.41723 -67.837 -4.69685 48.8105 86.9318 -67.8942 85.5505 -40.6508 TIMING: 506000 CPU: 1517.87, 0.00300006/step Wall: 1517.87, 0.00300006/step, 3.74507 hours remaining, 207.535156 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: 506000 798.1720 2139.4145 1933.0856 111.2868 -206641.6572 17916.2993 0.0000 0.0000 34226.1007 -149517.2983 298.9051 -183743.3990 -149424.4717 299.0289 -80.7242 -47.8619 557281.4996 1.5650 1.5384 PRESSURE: 506200 -186.521 17.1393 10.1603 17.1389 -227.682 -104.122 10.1597 -104.122 -139.97 GPRESSURE: 506200 -198.502 73.7648 8.31562 26.4996 -186.363 -138.994 54.4919 -173.404 -65.9568 PRESSAVG: 506200 -39.1756 18.2347 -69.5356 18.2347 -16.4647 43.422 -69.5357 43.422 54.5761 GPRESSAVG: 506200 -40.3069 18.0005 -69.3158 17.8445 -15.9006 41.5569 -67.4503 44.6889 55.0655 TIMING: 506200 CPU: 1518.47, 0.00301385/step Wall: 1518.47, 0.00301385/step, 3.76212 hours remaining, 207.535156 MB of memory in use. ENERGY: 506200 730.6299 2088.3585 1950.0525 109.7644 -206179.4106 17576.8434 0.0000 0.0000 34227.9042 -149495.8578 298.9208 -183723.7619 -149397.3301 299.1457 -184.7244 -150.2740 558222.0212 -0.3547 -0.3807 PRESSURE: 506400 -302.996 4.71371 -42.4826 4.71313 -58.381 70.3842 -42.4825 70.3852 270.178 GPRESSURE: 506400 -255.05 21.524 -30.2956 69.9376 -57.5157 5.48045 -44.5463 107.872 313.305 PRESSAVG: 506400 3.04241 14.805 -51.5439 14.8049 -52.9226 33.4417 -51.544 33.4417 48.4585 GPRESSAVG: 506400 2.63665 17.1016 -53.576 14.5989 -54.5774 33.7811 -52.575 33.5319 50.214 TIMING: 506400 CPU: 1519.08, 0.00300726/step Wall: 1519.08, 0.00300726/step, 3.75373 hours remaining, 207.535156 MB of memory in use. ENERGY: 506400 733.3332 2114.4098 1938.4209 114.2452 -206577.9184 17920.1402 0.0000 0.0000 34203.4326 -149553.9365 298.7071 -183757.3691 -149449.1753 298.9398 -30.3999 0.2463 559177.9246 -0.4739 -0.5756 PRESSURE: 506600 -47.8635 -25.007 22.9735 -25.008 -11.8058 138.836 22.9742 138.836 2.77093 GPRESSURE: 506600 -30.5357 -20.4257 86.1298 -28.6961 12.3153 260.934 80.301 111.71 58.5599 PRESSAVG: 506600 -50.8852 16.3451 -15.3127 16.3451 7.1967 7.68554 -15.3126 7.68551 20.5896 GPRESSAVG: 506600 -51.1311 15.2852 -13.3141 16.2047 7.45077 6.24529 -15.0459 8.79156 20.5847 TIMING: 506600 CPU: 1519.67, 0.00297517/step Wall: 1519.67, 0.00297517/step, 3.71351 hours remaining, 207.535156 MB of memory in use. ENERGY: 506600 732.3453 2136.7455 1942.6056 119.4941 -206737.9711 17900.2690 0.0000 0.0000 34168.2479 -149738.2638 298.3998 -183906.5117 -149643.5075 298.5240 -18.9661 13.4465 557836.3168 -7.6996 -7.6985 PRESSURE: 506800 -134.523 23.4789 72.585 23.4767 66.7772 44.0066 72.5854 44.007 -20.2284 GPRESSURE: 506800 -66.6783 64.0261 39.438 125.31 84.776 6.26819 82.544 16.2971 -12.083 PRESSAVG: 506800 -56.9498 -3.69812 28.3894 -3.69821 -15.8168 -4.35229 28.3893 -4.35225 56.7013 GPRESSAVG: 506800 -55.6831 -4.56316 28.9125 -2.2038 -16.5156 -3.53782 29.2543 -5.59837 56.0251 TIMING: 506800 CPU: 1520.27, 0.00297751/step Wall: 1520.27, 0.00297751/step, 3.71626 hours remaining, 207.535156 MB of memory in use. ENERGY: 506800 729.0875 2127.4080 1914.0822 115.5502 -206652.7218 17833.9176 0.0000 0.0000 34338.1777 -149594.4987 299.8838 -183932.6764 -149497.2753 298.2091 -29.3247 2.0049 557735.1510 -5.3551 -5.3912 PRESSURE: 507000 -150.268 48.1384 213.559 48.1391 294.327 102.937 213.559 102.937 -3.17969 GPRESSURE: 507000 -111.259 80.107 247.042 59.4239 330.034 191.942 152.353 5.65444 25.4088 PRESSAVG: 507000 -28.7208 -11.3483 7.32731 -11.3483 25.0394 26.7355 7.32728 26.7355 -38.1989 GPRESSAVG: 507000 -29.8675 -10.527 6.23641 -12.3908 25.6225 26.2781 7.97639 26.5593 -38.557 TIMING: 507000 CPU: 1520.86, 0.00297926/step Wall: 1520.86, 0.00297926/step, 3.71829 hours remaining, 207.535156 MB of memory in use. ENERGY: 507000 740.1820 2050.5375 1941.9771 121.9445 -206721.0372 18063.1653 0.0000 0.0000 34242.5821 -149560.6487 299.0490 -183803.2308 -149461.0526 299.3249 46.9598 81.3947 557971.2362 -13.9601 -14.2673 PRESSURE: 507200 353.745 -207.036 -38.3285 -207.036 -153.652 5.63061 -38.33 5.62891 -57.3386 GPRESSURE: 507200 376.422 -140.603 42.0178 -144.31 -126.239 35.7319 -79.6467 24.7956 -3.25547 PRESSAVG: 507200 -40.3115 12.8053 51.6024 12.8053 64.5125 -8.0608 51.6024 -8.06077 -22.8545 GPRESSAVG: 507200 -41.1971 14.5814 53.3205 11.6254 65.6747 -6.12332 48.0449 -8.0551 -22.8672 TIMING: 507200 CPU: 1521.46, 0.00301113/step Wall: 1521.46, 0.00301113/step, 3.75789 hours remaining, 207.535156 MB of memory in use. ENERGY: 507200 735.6384 2109.6060 1908.8728 108.4928 -206270.6196 17745.7660 0.0000 0.0000 34190.0641 -149472.1796 298.5903 -183662.2436 -149382.5444 298.6091 47.5850 82.3094 557349.7859 0.4488 0.5368 PRESSURE: 507400 26.3373 132.529 -139.217 132.528 -127.883 60.2219 -139.218 60.222 -161.57 GPRESSURE: 507400 61.9552 167.397 -146.376 41.2416 -78.8759 66.3014 -125.073 23.7197 -145.629 PRESSAVG: 507400 71.6624 -24.9272 40.4848 -24.9271 -25.687 20.8421 40.4847 20.8421 -24.4409 GPRESSAVG: 507400 73.538 -26.9359 41.9886 -23.3326 -26.8122 18.6753 41.1887 22.2 -24.9811 TIMING: 507400 CPU: 1522.06, 0.00300045/step Wall: 1522.06, 0.00300045/step, 3.74439 hours remaining, 207.535156 MB of memory in use. ENERGY: 507400 745.9093 2069.3205 1916.1063 105.0041 -206166.0792 17662.1557 0.0000 0.0000 34121.3859 -149546.1974 297.9905 -183667.5833 -149450.3667 298.0750 -87.7052 -54.1831 558411.1936 7.1782 7.2482 PRESSURE: 507600 126.643 79.7299 -76.1395 79.7289 -223.248 -2.3577 -76.1392 -2.35854 291.454 GPRESSURE: 507600 156.23 163.214 6.64456 28.1783 -143.374 104.951 -123.775 -57.5209 304.317 PRESSAVG: 507600 46.547 30.4667 7.36864 30.4667 -40.7659 -50.7103 7.36861 -50.7103 10.1199 GPRESSAVG: 507600 45.8781 29.9067 5.67892 30.2418 -40.4869 -49.1753 8.33662 -51.279 10.5207 TIMING: 507600 CPU: 1522.67, 0.00301745/step Wall: 1522.67, 0.00301745/step, 3.76545 hours remaining, 207.535156 MB of memory in use. ENERGY: 507600 731.1515 2094.0144 1932.4361 121.6007 -206693.7509 17900.1007 0.0000 0.0000 34246.5234 -149667.9241 299.0834 -183914.4476 -149569.4502 298.7579 64.9495 105.7244 556120.0438 5.3003 5.3040 PRESSURE: 507800 109.19 54.9986 91.4233 54.9978 22.1975 21.3205 91.4239 21.3187 -106.997 GPRESSURE: 507800 162.053 157.808 9.2053 24.8394 43.9073 44.7294 100.93 -13.5556 -94.9163 PRESSAVG: 507800 -24.8173 -8.18012 -2.85456 -8.18012 10.4283 -19.1654 -2.85451 -19.1655 3.73578 GPRESSAVG: 507800 -23.4756 -6.49257 -5.21343 -10.7453 9.37104 -18.1365 -2.45836 -20.4523 3.48281 TIMING: 507800 CPU: 1523.27, 0.00302198/step Wall: 1523.27, 0.00302198/step, 3.77093 hours remaining, 207.535156 MB of memory in use. ENERGY: 507800 776.4292 2124.9214 1937.5651 110.1500 -206408.5873 17790.4378 0.0000 0.0000 34145.2162 -149523.8676 298.1987 -183669.0838 -149435.8522 298.8678 8.1302 37.0146 557879.3531 -3.5511 -3.5406 PRESSURE: 508000 -70.1445 -64.1514 153.232 -64.1505 156.503 72.9188 153.231 72.9189 -63.0226 GPRESSURE: 508000 18.9345 -88.9346 165.932 21.4329 155.949 23.5771 85.3182 157.457 -50.1452 PRESSAVG: 508000 51.2697 -40.6895 14.9777 -40.6895 12.6485 -0.627032 14.9777 -0.627029 -50.523 GPRESSAVG: 508000 51.261 -40.6637 17.4174 -39.105 13.7532 -1.53923 14.1348 0.389335 -51.7886 TIMING: 508000 CPU: 1523.88, 0.00306419/step Wall: 1523.88, 0.00306419/step, 3.82343 hours remaining, 207.535156 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: 508000 758.2632 2083.2345 1962.4548 110.5468 -206635.1359 17978.9337 0.0000 0.0000 34451.3495 -149290.3534 300.8722 -183741.7029 -149191.7410 299.2666 7.7788 41.5794 556858.5642 4.4651 4.4085 PRESSURE: 508200 -440.749 -99.9516 -7.36738 -99.9523 -188.669 -12.4763 -7.36581 -12.4762 -190.894 GPRESSURE: 508200 -405.531 -97.7759 48.7961 -129.543 -144.929 -50.1147 4.99499 8.30701 -155.879 PRESSAVG: 508200 17.0149 -42.8077 21.1133 -42.8076 27.7473 -47.8215 21.1132 -47.8214 -42.3932 GPRESSAVG: 508200 15.6202 -43.0114 20.7842 -41.9151 27.5959 -47.5891 21.0498 -48.0409 -40.4656 TIMING: 508200 CPU: 1524.49, 0.00304971/step Wall: 1524.49, 0.00304971/step, 3.80519 hours remaining, 207.535156 MB of memory in use. ENERGY: 508200 776.8107 2044.6305 1952.6235 101.2493 -205870.9325 17452.5911 0.0000 0.0000 34248.6227 -149294.4046 299.1017 -183543.0273 -149196.2924 299.3415 -273.4375 -235.4464 557509.0111 0.7897 0.9168 LDB: ============= START OF LOAD BALANCING ============== 1528.02 LDB: ============== END OF LOAD BALANCING =============== 1528.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1528.02 LDB: ============= START OF LOAD BALANCING ============== 1528.32 LDB: Largest compute 4800 load 0.030892 is 26.2% of average load 0.117976 LDB: Average compute 0.001732 is 1.5% of average load 0.117976 LDB: TIME 1528.32 LOAD: AVG 0.117976 MAX 0.217431 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.445 MB LDB: TIME 1528.32 LOAD: AVG 0.117976 MAX 0.217431 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.52 MB LDB: TIME 1528.32 LOAD: AVG 0.117976 MAX 0.217431 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.52 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1528.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1528.33 PRESSURE: 508400 -400.426 -46.885 -51.4932 -46.8858 -450.789 -8.68587 -51.4926 -8.68608 -172.084 GPRESSURE: 508400 -356.821 6.45758 -119.96 -26.6608 -412.431 -47.9803 2.74918 -8.39895 -166.548 PRESSAVG: 508400 14.0935 -60.1133 26.5164 -60.1134 -21.9276 -27.6924 26.5164 -27.6924 -7.21837 GPRESSAVG: 508400 15.627 -59.3714 25.7942 -61.9317 -22.188 -27.0347 26.4912 -27.0756 -8.84835 TIMING: 508400 CPU: 1525.11, 0.00309496/step Wall: 1525.11, 0.00309496/step, 3.86148 hours remaining, 205.539062 MB of memory in use. ENERGY: 508400 758.0381 2116.9513 1944.3377 118.8865 -205689.2107 17322.8360 0.0000 0.0000 34002.1579 -149426.0032 296.9493 -183428.1611 -149323.6765 298.5876 -341.0997 -311.9331 558986.8079 -5.0175 -5.1365 PRESSURE: 508600 104.625 17.4806 -163.64 17.4816 -55.2129 25.0339 -163.641 25.0345 251.48 GPRESSURE: 508600 147.369 88.3612 -207.744 -17.013 -33.787 2.79316 -164.47 10.6244 286.292 PRESSAVG: 508600 -52.4755 41.8188 1.70324 41.8188 19.7802 -10.4605 1.70335 -10.4606 48.6913 GPRESSAVG: 508600 -54.7528 42.6536 4.08094 43.9306 20.1699 -11.6922 2.49425 -10.5316 50.5518 TIMING: 508600 CPU: 1525.72, 0.00303523/step Wall: 1525.72, 0.00303523/step, 3.78678 hours remaining, 205.742188 MB of memory in use. ENERGY: 508600 721.6100 2116.1399 1965.4137 110.2411 -206235.4972 18011.6617 0.0000 0.0000 34041.7939 -149268.6370 297.2955 -183310.4308 -149172.4927 298.5769 100.2976 133.2912 558850.3028 5.3320 5.3230 PRESSURE: 508800 -5.5846 -42.835 -81.3448 -42.835 92.8499 142.588 -81.3452 142.587 123.791 GPRESSURE: 508800 5.48955 -47.2581 -85.0716 -42.4321 122.258 138.124 -16.8634 75.8426 180.891 PRESSAVG: 508800 -12.4106 1.21941 11.1355 1.21946 -6.37331 18.8561 11.1355 18.8561 11.376 GPRESSAVG: 508800 -12.1893 0.746598 7.74916 0.22953 -6.40035 15.8727 10.9911 20.4537 11.2579 TIMING: 508800 CPU: 1526.33, 0.00304531/step Wall: 1526.33, 0.00304531/step, 3.79919 hours remaining, 205.742188 MB of memory in use. ENERGY: 508800 719.2588 2090.3167 1941.9396 126.8386 -206615.3070 18004.7833 0.0000 0.0000 34196.7319 -149535.4381 298.6486 -183732.1700 -149447.0104 298.1094 70.3522 102.8792 557209.1108 -2.4693 -2.4439 PRESSURE: 509000 -22.8973 -61.759 65.1443 -61.7589 -189.702 61.1668 65.1442 61.168 -246.259 GPRESSURE: 509000 -3.50743 -11.3642 60.3299 -60.0962 -175.078 104.762 40.2405 63.6837 -179.52 PRESSAVG: 509000 -5.55628 25.0252 16.2021 25.0252 -17.4055 24.1903 16.2021 24.1903 47.8814 GPRESSAVG: 509000 -3.7158 24.3171 17.3334 24.8908 -18.4735 28.2508 17.8949 22.5702 47.1746 TIMING: 509000 CPU: 1526.93, 0.00300429/step Wall: 1526.93, 0.00300429/step, 3.74785 hours remaining, 205.742188 MB of memory in use. ENERGY: 509000 779.8337 2032.1664 1969.3630 114.2667 -206376.5888 17803.0406 0.0000 0.0000 34297.1922 -149380.7263 299.5259 -183677.9185 -149283.6932 298.7067 -152.9529 -119.3685 558800.5386 8.3066 8.3285 PRESSURE: 509200 -86.882 55.4222 -113.245 55.422 17.2047 -20.5116 -113.244 -20.5108 57.3566 GPRESSURE: 509200 -84.6195 86.2468 -203.379 -21.6035 53.4823 -33.5369 -18.5851 5.62644 127.373 PRESSAVG: 509200 25.162 3.2278 -5.7101 3.2279 -68.1625 14.3031 -5.71011 14.3031 68.6187 GPRESSAVG: 509200 24.6104 2.61158 -4.11814 4.19871 -67.0112 12.4357 -8.74284 15.3248 68.8172 TIMING: 509200 CPU: 1527.53, 0.00301648/step Wall: 1527.53, 0.00301648/step, 3.76289 hours remaining, 205.742188 MB of memory in use. ENERGY: 509200 730.8780 2033.7637 1938.8813 129.5115 -206395.0380 17929.6075 0.0000 0.0000 34233.6621 -149398.7339 298.9711 -183632.3959 -149302.7608 298.3655 -4.1069 32.0787 557478.7425 8.5394 8.8054 PRESSURE: 509400 -192.144 -52.5038 -39.3489 -52.5041 -81.0345 35.03 -39.3484 35.0315 93.3181 GPRESSURE: 509400 -94.9285 -29.7419 -125.419 -82.8125 -49.8641 99.9528 19.0094 -7.30629 60.3713 PRESSAVG: 509400 16.0772 28.64 3.95946 28.6399 -9.08441 3.65907 3.9595 3.65907 8.60442 GPRESSAVG: 509400 16.0254 28.7946 3.36305 27.8074 -10.6914 3.57075 4.54977 2.9946 10.0674 TIMING: 509400 CPU: 1528.14, 0.00303412/step Wall: 1528.14, 0.00303412/step, 3.78472 hours remaining, 205.742188 MB of memory in use. ENERGY: 509400 727.2445 2075.4138 1932.1118 115.8598 -205934.8908 17663.4819 0.0000 0.0000 34035.4807 -149385.2984 297.2403 -183420.7790 -149289.4513 298.5865 -59.9534 -28.1404 558926.2302 5.1991 5.1338 PRESSURE: 509600 -311.268 205.449 -98.9691 205.449 -190.979 13.7154 -98.9695 13.7162 -188.03 GPRESSURE: 509600 -311.443 246.544 -100.345 185.624 -185.134 -20.901 -115.273 -12.1735 -93.6091 PRESSAVG: 509600 -24.3025 0.616955 -21.1199 0.616977 -24.4027 55.49 -21.1198 55.4901 36.7016 GPRESSAVG: 509600 -25.2861 1.35329 -22.2947 0.331613 -23.5898 56.1023 -19.8329 55.9997 36.1727 TIMING: 509600 CPU: 1528.75, 0.00303289/step Wall: 1528.75, 0.00303289/step, 3.78302 hours remaining, 205.742188 MB of memory in use. ENERGY: 509600 706.3425 2088.9567 1959.5123 119.0480 -205890.2929 17376.5222 0.0000 0.0000 34067.4037 -149572.5075 297.5191 -183639.9112 -149473.3825 298.4508 -230.0924 -196.7286 557617.1865 -4.0012 -4.2344 PRESSURE: 509800 160.173 25.1348 128.188 25.1361 -99.2637 -27.8248 128.188 -27.8248 75.2737 GPRESSURE: 509800 193.614 24.2724 163.802 -38.6782 -79.016 -49.6583 112.121 -51.0199 119.717 PRESSAVG: 509800 -50.7275 10.0445 43.6911 10.0446 23.9035 -24.9119 43.6911 -24.9119 -33.0091 GPRESSAVG: 509800 -49.9583 10.6762 46.1702 10.4942 24.3148 -27.6812 44.064 -22.782 -34.6853 TIMING: 509800 CPU: 1529.35, 0.00301128/step Wall: 1529.35, 0.00301128/step, 3.7559 hours remaining, 205.742188 MB of memory in use. ENERGY: 509800 709.4603 2097.0894 1953.4178 102.7564 -206270.7660 17919.8731 0.0000 0.0000 34027.6043 -149460.5647 297.1715 -183488.1690 -149367.6868 297.7612 45.3943 78.1051 557038.4169 -19.9444 -20.1096 PRESSURE: 510000 78.3953 -126.599 46.51 -126.599 -120.523 -122.082 46.5091 -122.082 34.6881 GPRESSURE: 510000 102.36 -93.3105 81.8027 -108.055 -106.592 -50.2507 -46.4781 -114.476 90.4062 PRESSAVG: 510000 -33.4874 -6.12219 -4.5418 -6.12218 23.9855 5.55841 -4.54174 5.55839 -27.843 GPRESSAVG: 510000 -34.9436 -4.80034 -6.4568 -7.64802 23.8479 8.51584 -7.45222 2.23492 -26.0173 TIMING: 510000 CPU: 1529.95, 0.00299577/step Wall: 1529.95, 0.00299577/step, 3.73639 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: 510000 739.3042 2077.0929 1950.9364 101.0953 -206208.4357 17781.9881 0.0000 0.0000 34268.5256 -149289.4932 299.2756 -183558.0188 -149198.6073 298.2857 -2.4798 28.7250 557928.0565 -12.4483 -12.3710 PRESSURE: 510200 22.1593 217.845 3.40517 217.845 -76.7063 -62.5756 3.40687 -62.5753 -49.5362 GPRESSURE: 510200 40.8541 262.043 -22.7876 157.01 -79.3084 -84.6426 -53.6432 -51.1799 36.5996 PRESSAVG: 510200 -10.3307 -35.0547 13.7224 -35.0549 -26.0767 -46.668 13.7224 -46.668 5.64999 GPRESSAVG: 510200 -9.64811 -37.301 14.9014 -32.5523 -26.8929 -48.3737 15.1065 -44.3995 5.76277 TIMING: 510200 CPU: 1530.54, 0.00297659/step Wall: 1530.54, 0.00297659/step, 3.7123 hours remaining, 205.742188 MB of memory in use. ENERGY: 510200 746.4084 2092.5817 1949.8226 110.6740 -206275.0007 17769.6271 0.0000 0.0000 34154.4418 -149451.4450 298.2792 -183605.8868 -149361.8568 298.9138 -34.6944 -0.6182 556839.3678 -10.2524 -10.2594 PRESSURE: 510400 -5.44503 95.8539 135.051 95.8538 25.887 150.416 135.051 150.416 106.751 GPRESSURE: 510400 14.9307 116.781 260.389 217.03 74.4213 222.655 23.2643 104.46 155.378 PRESSAVG: 510400 7.69256 14.3782 52.6565 14.3782 -30.5945 9.69619 52.6567 9.69614 50.3266 GPRESSAVG: 510400 9.12087 14.56 54.5693 13.6441 -30.0934 12.0057 52.2604 7.42898 48.5808 TIMING: 510400 CPU: 1531.14, 0.00298661/step Wall: 1531.14, 0.00298661/step, 3.72464 hours remaining, 205.742188 MB of memory in use. ENERGY: 510400 699.5958 2070.2234 1944.0883 109.0877 -206501.0375 17838.8796 0.0000 0.0000 34313.1645 -149525.9981 299.6654 -183839.1627 -149427.0965 299.1342 42.3977 81.5768 556590.6811 9.1415 9.2028 PRESSURE: 510600 -187.332 36.929 -78.0204 36.929 -74.3147 -63.5959 -78.0209 -63.5954 65.0047 GPRESSURE: 510600 -147.35 56.4896 -46.6745 -15.78 -64.0882 0.720386 -83.9912 -68.2074 112.644 PRESSAVG: 510600 -15.2133 -21.0539 -7.46151 -21.0539 -36.7547 -8.37366 -7.4616 -8.37368 52.5751 GPRESSAVG: 510600 -15.4784 -21.3972 -9.11418 -20.3026 -38.2148 -9.75485 -8.15624 -8.71447 53.3454 TIMING: 510600 CPU: 1531.74, 0.0030082/step Wall: 1531.74, 0.0030082/step, 3.75139 hours remaining, 205.742188 MB of memory in use. ENERGY: 510600 718.9386 2075.5327 1973.3721 114.4268 -206315.8571 17886.2424 0.0000 0.0000 34209.9799 -149337.3646 298.7643 -183547.3445 -149247.9476 298.4543 -65.5473 -32.9313 557368.8244 0.2024 -0.1160 PRESSURE: 510800 -13.6551 -80.2578 80.667 -80.2574 97.9313 77.4439 80.668 77.4435 308.041 GPRESSURE: 510800 14.5195 -92.6535 73.7476 -48.1836 153.989 98.2445 83.7235 32.6912 319.054 PRESSAVG: 510800 -23.7046 20.7598 -9.35452 20.7598 -53.774 -28.8992 -9.35445 -28.8992 52.9316 GPRESSAVG: 510800 -23.8881 20.1565 -10.7011 22.3758 -53.5915 -28.2057 -8.09661 -27.0584 53.372 TIMING: 510800 CPU: 1532.35, 0.00301352/step Wall: 1532.35, 0.00301352/step, 3.75786 hours remaining, 205.742188 MB of memory in use. ENERGY: 510800 753.9063 2038.3861 1959.3592 107.0081 -206611.0365 18128.6076 0.0000 0.0000 34127.3450 -149496.4242 298.0426 -183623.7692 -149396.6615 299.0565 130.7723 162.5207 557419.5346 -8.1823 -8.0359 PRESSURE: 511000 236.499 126.444 -1.19374 126.444 -128.006 6.19265 -1.19365 6.19299 -0.712958 GPRESSURE: 511000 234.677 186.368 -29.7264 82.6141 -104.094 -71.734 -37.0896 4.35231 63.9897 PRESSAVG: 511000 25.2471 14.4007 -30.4562 14.4008 16.5814 32.9714 -30.4562 32.9714 16.718 GPRESSAVG: 511000 24.7125 13.2126 -30.2175 13.5356 17.6992 32.4244 -29.5266 31.0679 16.1927 TIMING: 511000 CPU: 1532.95, 0.00300383/step Wall: 1532.95, 0.00300383/step, 3.7456 hours remaining, 205.742188 MB of memory in use. ENERGY: 511000 709.1710 2067.0107 1930.9273 108.7158 -206235.0234 17851.8199 0.0000 0.0000 34022.4216 -149544.9571 297.1263 -183567.3787 -149450.1642 298.1303 35.9264 64.8578 558681.8994 19.5155 19.5348 PRESSURE: 511200 66.6742 134.183 74.7443 134.184 -9.37044 -63.2198 74.7448 -63.2193 -90.8078 GPRESSURE: 511200 104.737 103.152 134.13 186.18 -37.3777 -4.13871 108.477 -15.2634 -1.7166 PRESSAVG: 511200 -102.343 16.9544 67.5413 16.9544 -8.49863 -50.3379 67.5412 -50.3379 46.4779 GPRESSAVG: 511200 -102.395 17.5261 67.8142 15.5072 -8.63835 -47.8267 65.9829 -49.1642 46.6109 TIMING: 511200 CPU: 1533.55, 0.00301631/step Wall: 1533.55, 0.00301631/step, 3.761 hours remaining, 205.742188 MB of memory in use. ENERGY: 511200 732.6886 2022.8547 1961.5307 114.3736 -206207.9339 17806.2057 0.0000 0.0000 34135.5007 -149434.7798 298.1138 -183570.2805 -149339.4812 298.3848 -11.1680 21.8810 558596.9229 -21.4545 -21.4741 PRESSURE: 511400 39.2148 -69.1857 19.0943 -69.1855 -44.2999 -10.0655 19.094 -10.0674 -98.346 GPRESSURE: 511400 76.9576 -42.7246 58.389 -51.5939 15.1534 27.2152 -29.9986 31.0647 -87.9946 PRESSAVG: 511400 -1.47937 14.9147 55.3408 14.9148 -20.5948 9.70914 55.3407 9.70908 68.3408 GPRESSAVG: 511400 -1.51878 17.09 56.3742 13.931 -19.8688 6.878 55.0657 10.4098 68.5403 TIMING: 511400 CPU: 1534.16, 0.00303297/step Wall: 1534.16, 0.00303297/step, 3.78161 hours remaining, 205.742188 MB of memory in use. ENERGY: 511400 772.1704 2115.6110 1924.0005 103.0842 -206308.9997 17923.3512 0.0000 0.0000 34131.9671 -149338.8154 298.0830 -183470.7824 -149238.7425 298.7837 -34.4770 1.3722 558391.4369 15.4222 15.7176 PRESSURE: 511600 -124.651 83.9161 -59.201 83.9154 -191.924 152.288 -59.2006 152.29 59.4603 GPRESSURE: 511600 -86.7582 73.4936 16.3092 -23.1349 -198.583 225.605 24.6078 119.835 138.911 PRESSAVG: 511600 71.0587 -43.446 -0.380498 -43.4461 -70.9528 50.0133 -0.380447 50.0133 5.08743 GPRESSAVG: 511600 71.24 -44.8785 -2.072 -44.2302 -72.0858 50.2087 0.746807 50.4847 5.9568 TIMING: 511600 CPU: 1534.77, 0.00305872/step Wall: 1534.77, 0.00305872/step, 3.81354 hours remaining, 205.742188 MB of memory in use. ENERGY: 511600 759.4174 2139.0130 1923.4385 108.2554 -206172.8144 17728.7477 0.0000 0.0000 34169.5304 -149344.4121 298.4110 -183513.9424 -149253.2978 299.0561 -85.7049 -48.8101 558190.4053 1.7311 1.7037 PRESSURE: 511800 -244.827 -16.2837 -44.6182 -16.2832 161.423 -19.5834 -44.6174 -19.5836 -152.711 GPRESSURE: 511800 -172.961 -44.2961 -43.2754 -9.12569 174.848 -89.1008 -14.1603 62.5842 -139.748 PRESSAVG: 511800 5.41549 -22.3704 -39.4317 -22.3705 47.7563 22.097 -39.4318 22.097 -63.433 GPRESSAVG: 511800 5.48405 -21.6445 -38.3139 -23.5124 48.8619 22.4916 -39.4742 20.6087 -64.7986 TIMING: 511800 CPU: 1535.38, 0.00307764/step Wall: 1535.38, 0.00307764/step, 3.83696 hours remaining, 205.742188 MB of memory in use. ENERGY: 511800 764.4664 2092.0311 1961.7231 121.8218 -206243.1817 17682.6550 0.0000 0.0000 34445.3699 -149175.1144 300.8200 -183620.4843 -149080.8862 298.9744 -78.7052 -45.9534 558226.1007 -3.4204 -3.4842 PRESSURE: 512000 177.85 -191.294 -59.9038 -191.294 41.6852 108.653 -59.9034 108.652 24.5078 GPRESSURE: 512000 169.395 -166.401 -96.3193 -253.839 79.1047 69.0438 -40.5534 120.304 87.2013 PRESSAVG: 512000 42.8875 -33.4107 18.2465 -33.4107 -4.55384 -7.60689 18.2465 -7.60689 -33.8003 GPRESSAVG: 512000 41.9195 -34.655 16.173 -32.4327 -4.26943 -9.50708 19.3856 -7.45222 -32.6704 TIMING: 512000 CPU: 1536, 0.00306258/step Wall: 1536, 0.00306258/step, 3.81802 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: 512000 737.3891 2079.9307 1962.4779 111.3582 -206437.3668 17935.7007 0.0000 0.0000 34480.1741 -149130.3360 301.1239 -183610.5101 -149029.0996 299.4996 81.3478 111.9003 557153.0630 1.5111 1.6599 PRESSURE: 512200 138.823 -168.232 14.9619 -168.233 -344.754 67.816 14.9609 67.8151 -83.1242 GPRESSURE: 512200 182.369 -255.61 -17.4251 -139.362 -306.825 131.66 -0.835554 136.4 -63.1522 PRESSAVG: 512200 -23.7082 11.2795 0.714423 11.2795 45.0206 51.0976 0.714374 51.0976 -6.84777 GPRESSAVG: 512200 -22.3302 11.6457 2.47078 11.5228 44.5027 53.1675 0.756633 49.8836 -7.77067 TIMING: 512200 CPU: 1536.61, 0.00308097/step Wall: 1536.61, 0.00308097/step, 3.84077 hours remaining, 205.742188 MB of memory in use. ENERGY: 512200 777.6040 2046.9675 1959.1908 104.3882 -206361.8193 17841.4396 0.0000 0.0000 34382.2199 -149250.0093 300.2685 -183632.2292 -149153.1153 299.5475 -96.3515 -62.5361 558121.4761 4.8215 4.8006 LDB: ============= START OF LOAD BALANCING ============== 1540.14 LDB: ============== END OF LOAD BALANCING =============== 1540.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1540.14 LDB: ============= START OF LOAD BALANCING ============== 1540.44 LDB: Largest compute 4800 load 0.032514 is 27.6% of average load 0.117877 LDB: Average compute 0.001732 is 1.5% of average load 0.117877 LDB: TIME 1540.45 LOAD: AVG 0.117877 MAX 0.219073 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.82 MB LDB: TIME 1540.45 LOAD: AVG 0.117877 MAX 0.219073 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.891 MB LDB: TIME 1540.45 LOAD: AVG 0.117877 MAX 0.219073 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.891 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1540.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1540.45 PRESSURE: 512400 60.3217 -159.99 98.0038 -159.99 -76.5353 -72.2274 98.003 -72.2286 -1.28496 GPRESSURE: 512400 92.9774 -156.197 69.9433 -184.091 -28.0882 -105.234 138.211 -54.2663 22.5512 PRESSAVG: 512400 37.291 -24.2297 25.9281 -24.2296 34.7426 5.53472 25.9281 5.53483 -32.395 GPRESSAVG: 512400 36.6843 -23.442 26.1112 -23.7679 35.195 3.91294 25.0877 7.32676 -32.1574 TIMING: 512400 CPU: 1537.24, 0.00312213/step Wall: 1537.24, 0.00312213/step, 3.8919 hours remaining, 207.207031 MB of memory in use. ENERGY: 512400 733.4408 2065.4917 1952.6009 128.2128 -206286.0393 17928.6523 0.0000 0.0000 34190.9726 -149286.6682 298.5983 -183477.6408 -149182.0614 298.7255 -5.8328 29.1468 557792.5126 13.2128 13.2407 PRESSURE: 512600 262.112 -37.0036 -17.5284 -37.0041 -193.142 98.4787 -17.5281 98.4787 34.2068 GPRESSURE: 512600 280.5 -18.4019 -11.17 -47.0374 -215.063 77.9644 20.0984 122.417 129.909 PRESSAVG: 512600 9.30039 -21.9884 -63.0005 -21.9883 -39.0841 -12.9967 -63.0005 -12.9967 35.3356 GPRESSAVG: 512600 9.76615 -22.4678 -64.3783 -23.3686 -39.6728 -13.4872 -61.8886 -13.4977 34.8435 TIMING: 512600 CPU: 1537.84, 0.0030165/step Wall: 1537.84, 0.0030165/step, 3.76007 hours remaining, 207.410156 MB of memory in use. ENERGY: 512600 771.3971 2165.6259 1969.2095 117.1470 -206339.1657 17907.3088 0.0000 0.0000 34122.5961 -149285.8815 298.0011 -183408.4776 -149201.2551 298.6847 34.3922 65.1152 555989.9157 1.8507 1.6456 PRESSURE: 512800 78.8052 -24.5595 -211.016 -24.5606 26.6391 81.2956 -211.015 81.2959 -182.717 GPRESSURE: 512800 185.517 110.278 -372.482 3.10842 -1.14963 105.489 -84.8009 98.129 -155.399 PRESSAVG: 512800 9.48061 -14.7156 -87.9875 -14.7156 -51.0042 10.2458 -87.9874 10.2458 33.1969 GPRESSAVG: 512800 9.36367 -14.9215 -87.0756 -12.0901 -50.7436 11.4045 -88.6944 11.0632 33.7572 TIMING: 512800 CPU: 1538.44, 0.00300222/step Wall: 1538.44, 0.00300222/step, 3.7421 hours remaining, 207.410156 MB of memory in use. ENERGY: 512800 750.4877 2127.3159 1935.1198 111.2358 -205938.5672 17556.9987 0.0000 0.0000 34159.4952 -149297.9142 298.3234 -183457.4093 -149204.1508 298.9949 -25.7575 9.6560 557462.8670 -2.7755 -2.5409 PRESSURE: 513000 -61.3051 10.1259 -52.5573 10.1249 50.3313 227.383 -52.5559 227.383 110.291 GPRESSURE: 513000 -58.9729 11.2334 -54.6932 -44.6083 89.941 285.964 -96.7475 193.057 166.984 PRESSAVG: 513000 31.5863 -10.3466 -24.8001 -10.3466 8.65806 56.2594 -24.8001 56.2595 -22.0185 GPRESSAVG: 513000 32.1957 -11.7102 -26.5369 -9.90567 8.26443 55.2412 -23.4821 55.5742 -21.9375 TIMING: 513000 CPU: 1539.05, 0.00303239/step Wall: 1539.05, 0.00303239/step, 3.77953 hours remaining, 207.410156 MB of memory in use. ENERGY: 513000 734.0480 2108.3773 1932.7145 101.7908 -206349.7814 17933.2493 0.0000 0.0000 34257.4475 -149282.1541 299.1788 -183539.6016 -149188.8887 299.1578 33.1056 65.9842 557330.8183 6.0753 6.1742 PRESSURE: 513200 -470.001 -25.3153 6.79671 -25.3146 -364.116 -55.5445 6.79735 -55.5436 -167.097 GPRESSURE: 513200 -394.297 -0.308368 -9.64457 48.4441 -333.302 -12.7189 -15.2519 -42.8278 -163.677 PRESSAVG: 513200 -6.85655 -4.49489 -5.15656 -4.49488 -18.3832 78.7587 -5.15669 78.7588 31.5897 GPRESSAVG: 513200 -6.10581 -2.98664 -3.96747 -6.28049 -18.2767 78.1589 -7.43041 80.1784 30.4913 TIMING: 513200 CPU: 1539.65, 0.00299679/step Wall: 1539.65, 0.00299679/step, 3.735 hours remaining, 207.410156 MB of memory in use. ENERGY: 513200 740.5790 2076.8606 1933.1178 109.8103 -205600.1938 17235.4602 0.0000 0.0000 34338.1559 -149166.2100 299.8837 -183504.3659 -149070.1092 299.0062 -333.7379 -297.0918 557469.3366 2.1167 2.0363 PRESSURE: 513400 -121.422 67.7643 90.258 67.7641 89.0408 -10.9038 90.2578 -10.906 172.104 GPRESSURE: 513400 -100.928 86.9395 50.5888 -19.2205 137.781 -89.787 74.1041 50.5944 201.074 PRESSAVG: 513400 -12.0326 63.2642 10.3824 63.2642 -8.91405 41.5773 10.3825 41.5773 40.9517 GPRESSAVG: 513400 -11.8956 63.5408 11.2131 65.1786 -9.08912 42.0624 9.57858 42.7405 41.1391 TIMING: 513400 CPU: 1540.25, 0.00301201/step Wall: 1540.25, 0.00301201/step, 3.7538 hours remaining, 207.410156 MB of memory in use. ENERGY: 513400 697.5194 2066.9254 1915.2218 107.8817 -206130.3674 17869.2161 0.0000 0.0000 34186.3380 -149287.2650 298.5578 -183473.6030 -149191.2916 299.1178 46.5741 79.3092 557753.3162 6.6683 6.7181 PRESSURE: 513600 -204.862 -50.0945 -107.139 -50.0928 -239.855 -110.762 -107.139 -110.761 -38.3284 GPRESSURE: 513600 -185.508 -0.392358 -121.465 -23.3252 -182.73 -124.631 -44.3121 -145.518 -8.64184 PRESSAVG: 513600 -46.4894 34.2086 -2.86575 34.2086 -67.5275 7.03152 -2.86566 7.03164 98.246 GPRESSAVG: 513600 -46.7122 34.3279 -3.62405 33.2416 -67.0356 7.08921 -1.48487 3.089 98.0023 TIMING: 513600 CPU: 1540.86, 0.00304825/step Wall: 1540.86, 0.00304825/step, 3.7988 hours remaining, 207.410156 MB of memory in use. ENERGY: 513600 727.2358 2116.3656 1922.5323 115.1511 -206110.7734 17540.0576 0.0000 0.0000 34364.2400 -149325.1910 300.1115 -183689.4310 -149229.8956 299.2457 -161.0153 -125.6266 558293.6765 -5.2570 -5.2485 PRESSURE: 513800 -248.979 -28.8854 -50.7953 -28.8864 -74.497 53.3434 -50.7948 53.3441 153.864 GPRESSURE: 513800 -224.24 -30.5829 -102.552 23.1194 -13.9201 40.8833 -37.2596 -12.5602 170.665 PRESSAVG: 513800 -5.85631 33.8014 83.8506 33.8014 -63.14 -13.1064 83.8506 -13.1064 63.724 GPRESSAVG: 513800 -6.63384 34.3331 83.8846 34.209 -61.7178 -13.1626 83.9753 -9.52615 63.1512 TIMING: 513800 CPU: 1541.46, 0.00301695/step Wall: 1541.46, 0.00301695/step, 3.75963 hours remaining, 207.410156 MB of memory in use. ENERGY: 513800 730.9500 2155.1347 1909.8697 124.8342 -206066.3786 17676.6741 0.0000 0.0000 34193.9348 -149274.9812 298.6241 -183468.9160 -149178.9912 298.5420 -56.5371 -22.4985 558415.8026 -1.7574 -1.7335 PRESSURE: 514000 181.877 -19.546 0.812309 -19.5469 -76.9056 110.173 0.810619 110.173 79.0952 GPRESSURE: 514000 266.617 -17.8478 -25.4149 10.1064 -117.463 173.664 45.9172 116.874 132.513 PRESSAVG: 514000 -9.43956 27.2031 51.1081 27.2032 -28.2716 -13.797 51.108 -13.7971 36.6337 GPRESSAVG: 514000 -9.12238 25.5728 49.0981 27.7519 -28.4206 -12.4779 52.7695 -16.0995 36.4107 TIMING: 514000 CPU: 1542.07, 0.00303156/step Wall: 1542.07, 0.00303156/step, 3.77766 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: 514000 733.6751 2093.5212 1941.9767 108.0341 -206582.4289 17986.0786 0.0000 0.0000 34387.8770 -149331.2663 300.3179 -183719.1432 -149231.4938 299.0040 61.3554 93.8891 557076.0985 -0.3592 -0.3774 PRESSURE: 514200 -172.145 25.2248 152.632 25.2237 -390.762 -199.069 152.632 -199.071 149.716 GPRESSURE: 514200 -170.085 -18.5886 78.3848 38.5132 -331.778 -127.577 132.459 -187.413 189.446 PRESSAVG: 514200 23.1049 28.1561 69.4979 28.1561 -71.8406 12.5904 69.498 12.5903 81.7763 GPRESSAVG: 514200 23.2336 29.0305 72.5226 26.9912 -73.8117 12.3281 67.041 13.0582 83.7005 TIMING: 514200 CPU: 1542.67, 0.00301466/step Wall: 1542.67, 0.00301466/step, 3.75644 hours remaining, 207.410156 MB of memory in use. ENERGY: 514200 764.1476 2119.5230 1951.9111 107.7154 -205590.8796 17532.4252 0.0000 0.0000 33980.9415 -149134.2157 296.7640 -183115.1572 -149034.5802 298.4628 -137.7305 -104.1390 558618.6503 11.0135 11.0408 PRESSURE: 514400 96.2881 153.096 18.4554 153.097 70.9642 -21.3312 18.4558 -21.3323 63.1956 GPRESSURE: 514400 141.89 161.366 -47.1579 167.237 89.9517 20.6778 62.9759 8.96931 91.2626 PRESSAVG: 514400 5.06607 5.18529 22.6086 5.18518 -74.0357 -21.9035 22.6086 -21.9034 58.85 GPRESSAVG: 514400 5.13862 5.81483 24.0254 5.72505 -73.1172 -22.3545 23.1014 -20.3706 57.8125 TIMING: 514400 CPU: 1543.27, 0.00300965/step Wall: 1543.27, 0.00300965/step, 3.75003 hours remaining, 207.410156 MB of memory in use. ENERGY: 514400 720.9231 2123.9090 1931.3558 98.7808 -206373.6053 17984.5948 0.0000 0.0000 34361.4070 -149152.6348 300.0867 -183514.0417 -149045.3932 299.7771 76.8160 107.7014 558118.8480 -3.3732 -3.3887 PRESSURE: 514600 -112.575 40.3553 103.324 40.3559 -318.21 -219.504 103.325 -219.505 44.9825 GPRESSURE: 514600 -52.3095 81.7854 121.672 90.9391 -302.604 -214.337 92.4152 -182.64 57.0915 PRESSAVG: 514600 100.826 48.7419 -11.5013 48.7419 -50.1106 17.1891 -11.5014 17.1891 -6.06455 GPRESSAVG: 514600 101.113 49.1811 -13.4264 47.1202 -49.5142 16.701 -11.4589 16.1768 -7.24238 TIMING: 514600 CPU: 1543.87, 0.00300903/step Wall: 1543.87, 0.00300903/step, 3.74908 hours remaining, 207.410156 MB of memory in use. ENERGY: 514600 761.1543 2114.9552 1941.7255 123.0476 -206034.4514 17549.7964 0.0000 0.0000 34347.7094 -149196.0630 299.9671 -183543.7724 -149090.5767 298.7193 -128.6010 -99.2740 558842.3743 14.8835 14.7856 PRESSURE: 514800 105.694 -64.6308 81.3567 -64.6293 -128.874 -299.939 81.356 -299.94 169.651 GPRESSURE: 514800 124.852 76.2847 35.9792 -97.4414 -36.3594 -289.664 89.3417 -263.288 155.115 PRESSAVG: 514800 62.0689 46.4165 43.0308 46.4166 -86.9465 -21.4792 43.0308 -21.4791 17.3511 GPRESSAVG: 514800 61.6086 46.6758 42.7093 47.4167 -87.9465 -21.6222 44.5279 -20.9833 18.2854 TIMING: 514800 CPU: 1544.48, 0.00302115/step Wall: 1544.48, 0.00302115/step, 3.76401 hours remaining, 207.410156 MB of memory in use. ENERGY: 514800 792.8473 2098.1933 1921.1755 109.6250 -206137.5096 17778.4117 0.0000 0.0000 34339.2262 -149098.0306 299.8930 -183437.2568 -148999.5263 298.8812 48.8237 81.2026 556819.9138 -2.5088 -2.6842 PRESSURE: 515000 6.16671 -4.96185 -93.9439 -4.96136 -284.408 -85.9737 -93.9427 -85.9749 -225.868 GPRESSURE: 515000 84.0879 0.882009 -232.715 -79.1139 -242.328 -122.399 -50.7801 -125.669 -249.438 PRESSAVG: 515000 -21.7319 -40.6529 -5.75459 -40.6529 3.85135 -60.9301 -5.75457 -60.9301 23.39 GPRESSAVG: 515000 -21.0156 -41.4759 -7.87641 -40.6687 4.39435 -61.0083 -4.62909 -60.9261 21.6874 TIMING: 515000 CPU: 1545.08, 0.00302708/step Wall: 1545.08, 0.00302708/step, 3.77124 hours remaining, 207.410156 MB of memory in use. ENERGY: 515000 746.2353 2068.3144 1946.3015 112.4751 -205767.8926 17551.4244 0.0000 0.0000 34230.3638 -149112.7779 298.9423 -183343.1418 -149009.1450 298.8597 -168.0363 -135.8927 557106.9684 1.8365 1.6887 PRESSURE: 515200 25.0302 -141.721 105.802 -141.722 -107.188 83.1108 105.802 83.1102 -154.311 GPRESSURE: 515200 96.6516 -137.838 205.95 -95.2431 -83.515 103.564 85.9647 69.2713 -154.083 PRESSAVG: 515200 18.9196 -2.02815 28.5077 -2.02801 -34.611 42.0827 28.5077 42.0828 31.1491 GPRESSAVG: 515200 17.6662 -1.6017 31.1192 -1.81596 -35.3733 42.5132 25.8006 40.026 33.2123 TIMING: 515200 CPU: 1545.69, 0.00301479/step Wall: 1545.69, 0.00301479/step, 3.75575 hours remaining, 207.410156 MB of memory in use. ENERGY: 515200 733.4656 2016.6065 1932.3761 118.9806 -205912.7678 17718.2353 0.0000 0.0000 34230.1636 -149162.9401 298.9405 -183393.1037 -149063.4959 299.2934 -78.8232 -46.9823 557443.2727 5.1525 5.1684 PRESSURE: 515400 49.1388 -63.6422 82.3428 -63.6418 193.297 -41.134 82.343 -41.133 5.7461 GPRESSURE: 515400 90.6648 9.22575 57.851 -60.283 249.132 89.8185 58.4306 -5.53115 11.0549 PRESSAVG: 515400 -19.7933 7.27881 47.1815 7.27879 71.4805 10.2244 47.1815 10.2243 -48.5134 GPRESSAVG: 515400 -19.3712 4.73215 48.1937 9.07848 71.2901 9.0153 45.114 11.7952 -48.4917 TIMING: 515400 CPU: 1546.29, 0.00302409/step Wall: 1546.29, 0.00302409/step, 3.76717 hours remaining, 207.410156 MB of memory in use. ENERGY: 515400 740.2449 2107.6793 1932.2699 113.2252 -206363.6379 18080.1594 0.0000 0.0000 34208.4847 -149181.5745 298.7512 -183390.0592 -149087.1055 298.8416 82.7274 116.9506 557148.3216 1.0579 1.1424 PRESSURE: 515600 118.002 6.50692 -87.5056 6.50597 -157.246 86.3436 -87.506 86.3466 -94.3357 GPRESSURE: 515600 176.592 -10.4699 -20.9861 37.9243 -111.204 88.7157 -131.519 81.8362 -93.5583 PRESSAVG: 515600 30.5237 -20.4094 15.4996 -20.4094 35.2756 -0.157463 15.4995 -0.157355 -81.4277 GPRESSAVG: 515600 29.8922 -18.0811 13.779 -21.1381 36.5424 2.57601 16.7667 -1.86652 -82.2525 TIMING: 515600 CPU: 1546.9, 0.00302333/step Wall: 1546.9, 0.00302333/step, 3.76606 hours remaining, 207.410156 MB of memory in use. ENERGY: 515600 734.0878 2043.9896 1964.8079 113.4162 -206339.3467 17935.7355 0.0000 0.0000 34457.3886 -149089.9211 300.9249 -183547.3097 -148998.1305 299.1340 -44.5266 -9.3901 557906.8970 -5.2094 -5.2726 PRESSURE: 515800 -243.9 -226.033 173.929 -226.033 -118.335 -97.4431 173.93 -97.4421 -41.7834 GPRESSURE: 515800 -201.432 -215.005 152.978 -222.337 -83.0806 -124.333 176.88 -64.6485 -34.8817 PRESSAVG: 515800 41.2068 -34.6365 -24.4675 -34.6365 25.6426 -13.5048 -24.4675 -13.5048 -78.1728 GPRESSAVG: 515800 41.6228 -33.9767 -23.422 -37.0849 25.2369 -15.2412 -25.2869 -11.0854 -77.5613 TIMING: 515800 CPU: 1547.5, 0.00303537/step Wall: 1547.5, 0.00303537/step, 3.7809 hours remaining, 207.410156 MB of memory in use. ENERGY: 515800 786.8544 2069.9147 1964.0549 117.8880 -206263.1092 17746.3006 0.0000 0.0000 34406.4383 -149171.6582 300.4800 -183578.0965 -149076.2478 299.9076 -134.6730 -106.4648 557226.2288 -3.7745 -3.5672 PRESSURE: 516000 -89.0619 -121.753 -66.829 -121.752 -34.7044 -54.5723 -66.8294 -54.5725 -46.343 GPRESSURE: 516000 -42.681 -179.623 -17.6256 -77.3237 24.1686 -10.0403 5.58063 -52.8814 -73.7254 PRESSAVG: 516000 6.57028 -34.6614 18.8935 -34.6614 -18.5614 -1.04018 18.8937 -1.04024 12.6613 GPRESSAVG: 516000 6.42774 -34.8865 19.8732 -34.1206 -17.7136 -1.53745 20.7744 -2.04556 12.3476 TIMING: 516000 CPU: 1548.11, 0.00302837/step Wall: 1548.11, 0.00302837/step, 3.772 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: 516000 730.1914 2080.6441 1950.1295 119.9551 -206120.3093 17776.3327 0.0000 0.0000 34171.0701 -149291.9864 298.4245 -183463.0565 -149193.4932 299.4286 -56.7031 -30.7459 557976.0785 0.2234 0.3539 PRESSURE: 516200 60.6258 15.6305 -12.4479 15.6306 -113.91 0.791725 -12.4473 0.792738 -145.973 GPRESSURE: 516200 92.6914 51.9178 -40.3121 54.52 -89.7081 -14.7808 12.9048 41.6673 -105.243 PRESSAVG: 516200 4.09549 -37.6808 40.4006 -37.6809 -10.3052 1.38846 40.4007 1.38842 -5.24343 GPRESSAVG: 516200 4.19225 -38.9649 41.644 -38.7717 -9.75587 0.281905 40.763 2.58315 -6.16178 TIMING: 516200 CPU: 1548.71, 0.00300385/step Wall: 1548.71, 0.00300385/step, 3.74129 hours remaining, 207.410156 MB of memory in use. ENERGY: 516200 773.2146 2155.7185 1932.4448 112.6260 -206720.3790 17812.5424 0.0000 0.0000 34506.9177 -149426.9150 301.3575 -183933.8327 -149334.4214 298.8578 -66.4188 -34.0866 556721.8363 -3.8177 -3.9085 LDB: ============= START OF LOAD BALANCING ============== 1552.23 LDB: ============== END OF LOAD BALANCING =============== 1552.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1552.23 LDB: ============= START OF LOAD BALANCING ============== 1552.54 LDB: Largest compute 4800 load 0.032696 is 27.7% of average load 0.117950 LDB: Average compute 0.001732 is 1.5% of average load 0.117950 LDB: TIME 1552.54 LOAD: AVG 0.11795 MAX 0.214833 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.652 MB LDB: TIME 1552.54 LOAD: AVG 0.11795 MAX 0.214833 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.719 MB LDB: TIME 1552.54 LOAD: AVG 0.11795 MAX 0.214833 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.719 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1552.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1552.54 PRESSURE: 516400 192.551 -139.884 37.9146 -139.884 163.418 -35.4077 37.9142 -35.4071 32.5284 GPRESSURE: 516400 247.811 -96.5408 44.9576 -140.702 145.414 -30.4199 6.91276 -146.429 96.2094 PRESSAVG: 516400 -1.85602 -7.03703 59.0269 -7.03697 -52.1204 -5.13088 59.0269 -5.1309 54.1579 GPRESSAVG: 516400 -2.10323 -7.00769 56.3545 -5.11109 -52.8646 -3.72711 57.8214 -7.44456 54.5755 TIMING: 516400 CPU: 1549.33, 0.00308701/step Wall: 1549.33, 0.00308701/step, 3.8447 hours remaining, 206.765625 MB of memory in use. ENERGY: 516400 753.1789 2139.9232 1943.6279 106.7307 -206567.2902 18067.0898 0.0000 0.0000 34187.6515 -149369.0883 298.5693 -183556.7398 -149270.7094 298.6929 129.4991 163.1445 558146.6536 0.0605 -0.1308 PRESSURE: 516600 -18.7998 -58.2072 -83.0321 -58.2072 -42.443 -95.6457 -83.0324 -95.6454 -85.8636 GPRESSURE: 516600 -29.3802 18.4308 -104.687 -66.8189 0.714025 -99.786 -30.1817 -66.4395 -17.4049 PRESSAVG: 516600 -24.59 34.425 42.3893 34.4251 -12.8162 -34.932 42.3894 -34.932 -0.412634 GPRESSAVG: 516600 -25.2831 35.763 42.2749 33.786 -13.1447 -35.0961 43.7526 -34.8997 0.0989585 TIMING: 516600 CPU: 1549.94, 0.00304101/step Wall: 1549.94, 0.00304101/step, 3.78724 hours remaining, 206.968750 MB of memory in use. ENERGY: 516600 726.9597 2081.6344 1936.5913 111.8727 -206461.8895 17885.7951 0.0000 0.0000 34194.0584 -149524.9779 298.6252 -183719.0363 -149423.0168 297.9597 -49.0354 -15.3570 557840.7830 -12.6063 -12.7763 PRESSURE: 516800 218.379 55.5994 -2.20137 55.5994 93.9803 194.594 -2.19981 194.594 349.247 GPRESSURE: 516800 255.771 54.5653 -72.4126 94.8094 177.538 148.118 98.7146 199.853 342.325 PRESSAVG: 516800 -26.205 10.4466 15.6122 10.4465 -55.2479 19.9846 15.6122 19.9846 59.6395 GPRESSAVG: 516800 -26.4149 7.6303 16.1939 12.5112 -54.5186 20.7163 14.2105 19.1726 59.8812 TIMING: 516800 CPU: 1550.54, 0.00303665/step Wall: 1550.54, 0.00303665/step, 3.78164 hours remaining, 206.968750 MB of memory in use. ENERGY: 516800 771.9413 2045.8548 1975.5866 97.1066 -206928.0789 18404.5735 0.0000 0.0000 34200.9838 -149432.0322 298.6857 -183633.0160 -149336.3955 298.6870 220.5355 258.5445 558463.6782 -7.2711 -7.0175 PRESSURE: 517000 56.3483 -33.9438 25.9944 -33.9438 -157.49 -28.0716 25.9949 -28.0714 -74.3638 GPRESSURE: 517000 47.47 -10.8246 -16.9084 16.0233 -112.418 2.96981 19.9994 -49.7283 -10.1256 PRESSAVG: 517000 -25.8283 -11.662 -31.1842 -11.662 -0.621801 30.1318 -31.1841 30.132 42.5525 GPRESSAVG: 517000 -25.1262 -10.7212 -29.7791 -14.5181 -1.12503 28.7078 -33.4385 30.4732 41.712 TIMING: 517000 CPU: 1551.15, 0.00304206/step Wall: 1551.15, 0.00304206/step, 3.7882 hours remaining, 206.968750 MB of memory in use. ENERGY: 517000 753.4179 2094.3670 1942.3389 126.9669 -206380.2142 17882.1942 0.0000 0.0000 34184.7392 -149396.1902 298.5438 -183580.9294 -149283.6192 298.8598 -58.5019 -25.0245 559813.5086 5.3675 5.1536 PRESSURE: 517200 -149.866 -77.1087 -74.1336 -77.1098 18.5311 77.4774 -74.1343 77.4765 -135.942 GPRESSURE: 517200 -130.996 -100.62 -50.5036 -66.4211 73.5901 67.8229 -92.5782 60.1398 -122.667 PRESSAVG: 517200 29.644 17.6294 -37.7022 17.6294 -22.4684 10.1872 -37.7022 10.1871 -15.4778 GPRESSAVG: 517200 28.6638 19.2176 -37.3345 18.7609 -22.1544 11.5946 -36.8561 11.9689 -14.7786 TIMING: 517200 CPU: 1551.77, 0.00306714/step Wall: 1551.77, 0.00306714/step, 3.81927 hours remaining, 206.968750 MB of memory in use. ENERGY: 517200 745.3819 2080.5190 1945.8687 113.5766 -206622.3398 17953.5046 0.0000 0.0000 34251.1575 -149532.3316 299.1239 -183783.4890 -149429.9788 297.9002 -89.0922 -60.0245 557914.9077 -2.7674 -2.7564 PRESSURE: 517400 9.03928 -55.7352 -35.962 -55.7354 -12.4483 52.4843 -35.9616 52.4827 24.187 GPRESSURE: 517400 40.5971 -114.869 -75.8069 -9.75051 -31.0922 133.678 3.74038 -90.9557 88.7774 PRESSAVG: 517400 -41.7589 -34.0396 -77.4522 -34.0396 18.3229 44.5026 -77.4522 44.5026 27.6547 GPRESSAVG: 517400 -40.3121 -36.7438 -78.7459 -33.281 17.1854 45.3213 -75.1546 42.8007 27.6362 TIMING: 517400 CPU: 1552.37, 0.00303021/step Wall: 1552.37, 0.00303021/step, 3.77312 hours remaining, 206.968750 MB of memory in use. ENERGY: 517400 701.8497 2106.4349 1930.1001 103.8465 -206303.7336 17794.0038 0.0000 0.0000 34279.5448 -149387.9538 299.3718 -183667.4986 -149286.3136 298.3873 6.9260 32.7608 558769.6665 1.4063 1.5032 PRESSURE: 517600 -250.578 36.5534 -136.611 36.5529 -56.2944 97.8545 -136.61 97.8538 -244.295 GPRESSURE: 517600 -237.837 46.2592 -112.278 51.6194 -50.9938 57.4502 -174.913 83.9907 -162.019 PRESSAVG: 517600 16.2108 5.941 -50.8681 5.94104 -5.39112 46.8054 -50.868 46.8055 -23.6706 GPRESSAVG: 517600 15.4505 7.8601 -51.1438 4.57444 -4.47592 43.8679 -50.6017 48.0819 -24.2333 TIMING: 517600 CPU: 1552.98, 0.00305165/step Wall: 1552.98, 0.00305165/step, 3.79964 hours remaining, 206.968750 MB of memory in use. ENERGY: 517600 730.9623 2097.2018 1932.2075 111.5335 -206137.3183 17585.2345 0.0000 0.0000 34257.9494 -149422.2293 299.1832 -183680.1788 -149337.0925 298.5376 -183.7225 -150.2833 558920.5602 -4.2836 -4.4196 PRESSURE: 517800 -242.606 21.5571 -107.302 21.5568 -101.82 107.657 -107.302 107.657 -219.374 GPRESSURE: 517800 -211.48 21.3044 -96.7929 36.6469 -66.7321 122.166 -118.545 119.967 -196.247 PRESSAVG: 517800 -42.8114 0.906675 -58.8573 0.906628 -1.92434 56.0607 -58.8572 56.0606 69.9305 GPRESSAVG: 517800 -43.5094 0.791412 -57.0188 1.71267 -1.43675 55.1527 -59.7235 56.1956 70.5147 TIMING: 517800 CPU: 1553.59, 0.00304827/step Wall: 1553.59, 0.00304827/step, 3.79526 hours remaining, 206.968750 MB of memory in use. ENERGY: 517800 760.3003 2062.7449 1944.5667 111.4934 -205782.4557 17409.0801 0.0000 0.0000 34184.8345 -149309.4358 298.5447 -183494.2703 -149211.2259 299.2084 -187.9334 -158.1530 557099.5776 8.3982 8.5229 PRESSURE: 518000 12.2426 19.0363 168.937 19.0371 -11.8922 -54.0067 168.936 -54.0059 -78.8277 GPRESSURE: 518000 42.5167 -2.04152 154.657 -74.9568 26.4542 -64.2785 166.049 -63.4669 -60.3963 PRESSAVG: 518000 -21.4289 1.09173 -51.9976 1.09169 4.09252 -14.2708 -51.9976 -14.2707 -5.95895 GPRESSAVG: 518000 -20.6069 1.52953 -53.867 -1.5214 2.15347 -11.0351 -52.2619 -16.2487 -4.85024 TIMING: 518000 CPU: 1554.2, 0.00305043/step Wall: 1554.2, 0.00305043/step, 3.79778 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: 518000 750.7348 2072.2748 1922.7243 125.5713 -206610.5046 17963.2309 0.0000 0.0000 34465.4616 -149310.5069 300.9954 -183775.9685 -149210.6373 298.9737 -26.1591 2.8582 555738.3122 -7.7651 -7.7679 PRESSURE: 518200 49.2784 65.3396 140.567 65.3388 123.018 78.0575 140.566 78.0572 132.808 GPRESSURE: 518200 103.89 28.283 172.841 127.036 141.766 71.2403 161.235 69.5767 155.882 PRESSAVG: 518200 28.1593 25.4769 21.4048 25.4768 11.8419 -10.939 21.4048 -10.9389 -19.6111 GPRESSAVG: 518200 29.1738 25.0337 22.7945 26.4152 12.7794 -10.6325 20.3374 -9.89209 -21.5428 TIMING: 518200 CPU: 1554.81, 0.00305227/step Wall: 1554.81, 0.00305227/step, 3.7999 hours remaining, 206.968750 MB of memory in use. ENERGY: 518200 733.6772 2096.7839 1941.1402 116.8398 -206418.4519 17929.7199 0.0000 0.0000 34249.3781 -149350.9130 299.1083 -183600.2911 -149260.8215 299.0470 101.7012 133.8462 556529.8003 6.7967 6.8035 PRESSURE: 518400 202.386 182.156 -31.6046 182.156 -116.11 86.2127 -31.6046 86.2123 -30.7203 GPRESSURE: 518400 202.547 186.864 -16.366 183.701 -61.3548 173.012 46.7933 -24.6708 12.2436 PRESSAVG: 518400 24.2164 19.9758 -29.6124 19.9758 -51.1251 -3.13959 -29.6125 -3.1396 8.43788 GPRESSAVG: 518400 22.1747 17.3295 -30.483 23.1942 -50.5707 -4.55606 -28.2058 -2.45076 10.1604 TIMING: 518400 CPU: 1555.43, 0.0030806/step Wall: 1555.43, 0.0030806/step, 3.835 hours remaining, 206.968750 MB of memory in use. ENERGY: 518400 731.6249 2090.4340 1948.2163 121.1858 -206294.7194 17815.6317 0.0000 0.0000 34230.3147 -149357.3120 298.9419 -183587.6267 -149259.0364 299.1948 18.5186 51.1453 555214.2581 -6.1569 -6.0785 PRESSURE: 518600 158.508 14.9189 49.5148 14.9195 -222.606 -114.756 49.5148 -114.756 -181.018 GPRESSURE: 518600 163.746 28.0007 12.7584 -4.95276 -156.958 -164.766 83.8142 -64.1451 -151.633 PRESSAVG: 518600 61.0775 -33.0818 -39.0624 -33.0818 -46.3026 -3.92737 -39.0623 -3.92732 -27.0294 GPRESSAVG: 518600 61.1582 -32.5946 -40.4239 -35.2708 -46.7323 -5.03668 -38.635 -3.09412 -26.7367 TIMING: 518600 CPU: 1556.04, 0.00303489/step Wall: 1556.04, 0.00303489/step, 3.77793 hours remaining, 206.968750 MB of memory in use. ENERGY: 518600 753.1096 2064.7898 1928.0394 118.8944 -206211.1208 17710.8766 0.0000 0.0000 34141.1757 -149494.2352 298.1634 -183635.4109 -149401.9721 299.1731 -81.7055 -48.2813 557573.1721 -4.0848 -4.1036 PRESSURE: 518800 -204.369 90.8203 18.2164 90.8198 -312.645 -67.5457 18.2166 -67.5458 -57.283 GPRESSURE: 518800 -111.993 -5.19199 -22.4407 74.9407 -285.248 -99.0738 -38.3277 6.90923 -84.7469 PRESSAVG: 518800 -32.0322 -15.8516 -29.4764 -15.8516 8.06108 20.0425 -29.4763 20.0425 52.997 GPRESSAVG: 518800 -30.9826 -14.0161 -28.9688 -16.1482 9.27721 19.6113 -31.3814 18.9618 50.9547 TIMING: 518800 CPU: 1556.64, 0.00300143/step Wall: 1556.64, 0.00300143/step, 3.73612 hours remaining, 206.968750 MB of memory in use. ENERGY: 518800 749.6946 2076.4163 1929.4828 117.3827 -206275.2146 17581.4301 0.0000 0.0000 34313.0619 -149507.7462 299.6645 -183820.8081 -149404.3332 297.9268 -191.4324 -160.6628 557245.8104 9.6753 9.7498 PRESSURE: 519000 203.56 -164.669 -70.2658 -164.668 73.743 150.294 -70.2654 150.294 57.0502 GPRESSURE: 519000 193.57 -235.09 -77.4508 -41.3504 139.805 97.1169 -137.525 93.1396 100.778 PRESSAVG: 519000 -3.71963 -33.0216 8.5901 -33.0216 -4.10022 -31.0175 8.59006 -31.0175 41.0616 GPRESSAVG: 519000 -4.46146 -33.3443 8.68894 -33.4943 -4.51794 -31.0717 9.05207 -32.4699 42.6794 TIMING: 519000 CPU: 1557.24, 0.00303618/step Wall: 1557.24, 0.00303618/step, 3.77921 hours remaining, 206.968750 MB of memory in use. ENERGY: 519000 733.8442 2059.0773 1921.6774 110.7343 -206537.3144 18041.6622 0.0000 0.0000 34281.1472 -149389.1718 299.3858 -183670.3190 -149290.3510 298.9217 111.4512 144.7177 556796.7941 11.0806 11.2333 PRESSURE: 519200 -13.7488 -41.3112 -158.396 -41.3101 -159.053 3.88462 -158.394 3.88586 -38.2254 GPRESSURE: 519200 64.5365 -43.7154 -240.731 12.927 -103.518 59.1281 -65.9031 -47.7908 -86.9293 PRESSAVG: 519200 50.0111 -71.5133 -38.3216 -71.5133 -83.7723 4.74266 -38.3216 4.74273 -6.73732 GPRESSAVG: 519200 49.0827 -70.845 -36.7925 -70.8408 -82.7578 4.59463 -38.8312 5.12293 -7.32203 TIMING: 519200 CPU: 1557.85, 0.00305014/step Wall: 1557.85, 0.00305014/step, 3.79641 hours remaining, 206.968750 MB of memory in use. ENERGY: 519200 748.0499 2134.5518 1917.8388 115.1568 -206201.9131 17600.3243 0.0000 0.0000 34352.8954 -149333.0962 300.0124 -183685.9915 -149243.1766 298.5467 -70.3425 -41.9704 557199.3652 -13.4995 -13.6657 PRESSURE: 519400 161.88 -176.889 -101.073 -176.89 234.855 -42.836 -101.073 -42.8367 157.603 GPRESSURE: 519400 212.1 -195.142 -149.217 -115.357 260.755 -73.7409 -72.1697 -106.018 177.146 PRESSAVG: 519400 38.1393 2.51369 -4.95903 2.51363 36.2989 -72.6679 -4.95912 -72.668 -56.8542 GPRESSAVG: 519400 38.5026 0.170058 -6.33442 2.80441 35.08 -70.6115 -3.62357 -73.3856 -56.2384 TIMING: 519400 CPU: 1558.46, 0.00306207/step Wall: 1558.46, 0.00306207/step, 3.81109 hours remaining, 206.968750 MB of memory in use. ENERGY: 519400 749.2522 2121.5187 1936.5427 103.6481 -206532.0704 18169.3763 0.0000 0.0000 33989.8869 -149461.8456 296.8421 -183451.7324 -149372.6430 299.2741 184.7795 216.6669 555959.8200 5.8613 5.7814 PRESSURE: 519600 450.273 102.258 -129.91 102.259 130.214 47.4444 -129.909 47.4433 278.319 GPRESSURE: 519600 423.545 27.7595 -164.28 47.7254 211.197 83.3892 -141.67 136.706 310.925 PRESSAVG: 519600 30.8907 5.4436 -20.7814 5.44363 16.8095 0.406099 -20.7813 0.406151 -46.2076 GPRESSAVG: 519600 30.6892 4.8103 -21.0725 4.91176 17.3685 -0.0517895 -21.5905 1.52698 -46.8604 TIMING: 519600 CPU: 1559.07, 0.00303527/step Wall: 1559.07, 0.00303527/step, 3.77756 hours remaining, 206.968750 MB of memory in use. ENERGY: 519600 726.5939 2055.3592 1923.6614 117.1037 -206354.5851 18019.6962 0.0000 0.0000 34044.2429 -149467.9278 297.3168 -183512.1708 -149371.9845 299.0186 286.2684 315.2227 555466.3712 0.4976 0.3991 PRESSURE: 519800 213.17 93.4171 -124.594 93.4177 -32.2098 54.9922 -124.594 54.9904 76.6824 GPRESSURE: 519800 316.257 129.116 -87.9988 129.659 -67.1102 84.8463 -105.723 8.85405 111.78 PRESSAVG: 519800 68.3138 -15.4796 -26.2897 -15.4796 -62.3527 -17.0758 -26.2898 -17.0759 6.60487 GPRESSAVG: 519800 67.5635 -14.66 -23.9221 -13.2721 -61.6899 -17.3878 -26.7917 -17.4315 6.89064 TIMING: 519800 CPU: 1559.68, 0.00301952/step Wall: 1559.68, 0.00301952/step, 3.75779 hours remaining, 206.968750 MB of memory in use. ENERGY: 519800 780.5196 2112.2066 1941.0453 97.1438 -206310.7142 17849.5063 0.0000 0.0000 34152.8355 -149377.4572 298.2652 -183530.2927 -149282.4853 298.8693 85.8809 120.3088 555952.6041 4.1887 4.2547 PRESSURE: 520000 26.6666 0.163906 132.373 0.165043 178.251 -92.9631 132.373 -92.9643 43.1535 GPRESSURE: 520000 36.7059 135.433 137.282 -84.3572 163.034 -131.96 45.5504 -88.1743 138.13 PRESSAVG: 520000 16.5569 1.88483 -12.0034 1.8849 -8.27758 -14.0639 -12.0035 -14.064 -37.5245 GPRESSAVG: 520000 16.7642 2.2488 -12.1531 0.061019 -8.21563 -14.3432 -10.8466 -14.0077 -38.2412 TIMING: 520000 CPU: 1560.28, 0.0030312/step Wall: 1560.28, 0.0030312/step, 3.77216 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: 520000 740.8661 2127.6030 1951.5490 107.9730 -206243.7524 17875.8525 0.0000 0.0000 34126.4163 -149313.4925 298.0345 -183439.9088 -149215.9946 299.1925 82.6904 112.6235 556152.1639 -9.7484 -9.8976 PRESSURE: 520200 -26.2555 -100.292 -90.9862 -100.292 -220.501 175.918 -90.9859 175.919 21.724 GPRESSURE: 520200 42.7654 -138.874 -130.457 -2.20658 -170.973 175.616 -5.86214 146.644 8.68961 PRESSAVG: 520200 16.4587 -6.63186 -2.72391 -6.63185 -72.3802 17.3339 -2.72392 17.3341 57.9917 GPRESSAVG: 520200 16.4575 -6.21051 -3.86243 -6.40403 -72.1317 16.8893 -2.44761 19.1083 57.6132 TIMING: 520200 CPU: 1560.89, 0.00305916/step Wall: 1560.89, 0.00305916/step, 3.80678 hours remaining, 206.968750 MB of memory in use. ENERGY: 520200 765.5527 2097.5476 1953.5414 125.3704 -206262.5080 17718.0135 0.0000 0.0000 34406.0022 -149196.4802 300.4762 -183602.4824 -149103.1623 299.3548 -75.0109 -39.8393 556117.0316 0.6901 0.6463 LDB: ============= START OF LOAD BALANCING ============== 1564.42 LDB: ============== END OF LOAD BALANCING =============== 1564.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1564.42 LDB: ============= START OF LOAD BALANCING ============== 1564.72 LDB: Largest compute 4800 load 0.033487 is 28.4% of average load 0.117895 LDB: Average compute 0.001727 is 1.5% of average load 0.117895 LDB: TIME 1564.72 LOAD: AVG 0.117895 MAX 0.213428 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.562 MB LDB: TIME 1564.72 LOAD: AVG 0.117895 MAX 0.213428 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.562 MB LDB: TIME 1564.72 LOAD: AVG 0.117895 MAX 0.213428 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.562 MB LDB: ============== END OF LOAD BALANCING =============== 1564.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1564.73 PRESSURE: 520400 155.427 -14.3302 12.4083 -14.3316 239.468 135.513 12.4097 135.513 235.312 GPRESSURE: 520400 194.832 4.20826 5.18023 -84.1477 320.709 202.737 -23.1347 98.2078 204.067 PRESSAVG: 520400 -34.2763 35.4368 -8.22313 35.4367 12.4909 63.7483 -8.22304 63.7484 20.1545 GPRESSAVG: 520400 -33.5667 37.0557 -8.29813 32.9453 12.4793 64.0001 -9.72353 61.0092 19.3858 TIMING: 520400 CPU: 1561.51, 0.00308126/step Wall: 1561.51, 0.00308126/step, 3.83411 hours remaining, 207.023438 MB of memory in use. ENERGY: 520400 725.0682 2170.8830 1928.8032 104.4644 -206669.4154 18024.9616 0.0000 0.0000 34489.6620 -149225.5731 301.2068 -183715.2350 -149124.6567 300.0367 210.0689 239.8694 555346.3548 -0.5436 -0.5672 PRESSURE: 520600 142.478 -213.391 -7.58193 -213.392 -62.3857 97.285 -7.58269 97.2832 -177.895 GPRESSURE: 520600 172.291 -257.416 58.8172 -208.632 -98.8887 54.5648 63.1604 123.78 -78.2308 PRESSAVG: 520600 17.8912 15.4787 34.7933 15.4787 -81.9848 46.7184 34.7933 46.7185 13.6872 GPRESSAVG: 520600 17.6084 15.2707 35.8147 14.5421 -82.8296 48.0776 34.5748 46.9797 15.0653 TIMING: 520600 CPU: 1562.12, 0.00303695/step Wall: 1562.12, 0.00303695/step, 3.77881 hours remaining, 207.226562 MB of memory in use. ENERGY: 520600 771.3151 2056.2607 1934.2769 115.4169 -206451.8040 17836.1155 0.0000 0.0000 34412.6986 -149325.7202 300.5347 -183738.4188 -149224.6437 299.9506 -32.6008 -1.6095 557046.8326 -16.8021 -16.7186 PRESSURE: 520800 -157.003 42.771 95.8779 42.7694 119.368 -85.3453 95.8777 -85.345 -124.557 GPRESSURE: 520800 -76.777 73.782 60.9197 -10.658 108.537 -90.8621 193.031 -29.3505 -98.3253 PRESSAVG: 520800 11.4384 -10.7684 -43.6596 -10.7684 -16.7233 32.9974 -43.6596 32.9976 22.1263 GPRESSAVG: 520800 11.0339 -12.9971 -43.451 -9.73945 -15.9364 31.8777 -42.7405 33.6836 21.3553 TIMING: 520800 CPU: 1562.72, 0.00302799/step Wall: 1562.72, 0.00302799/step, 3.76749 hours remaining, 207.226562 MB of memory in use. ENERGY: 520800 767.9639 2148.8820 1925.1088 107.8226 -206160.9451 17610.7876 0.0000 0.0000 34283.3144 -149317.0660 299.4047 -183600.3803 -149217.4711 299.3042 -54.0641 -22.1885 555818.2573 5.6138 5.4843 PRESSURE: 521000 213.676 89.3623 -23.7338 89.3616 29.9541 188.422 -23.7338 188.421 230.81 GPRESSURE: 521000 213.789 173.124 -70.6718 33.4649 125.605 228.138 20.1454 177.42 246.491 PRESSAVG: 521000 13.477 30.1417 30.7434 30.1416 -7.096 -49.3261 30.7435 -49.3262 6.05912 GPRESSAVG: 521000 13.7962 30.4965 30.9534 32.9859 -7.68292 -49.5846 30.2465 -48.7147 6.06998 TIMING: 521000 CPU: 1563.34, 0.00307173/step Wall: 1563.34, 0.00307173/step, 3.82175 hours remaining, 207.226562 MB of memory in use. ENERGY: 521000 771.2300 2083.9951 1930.0685 111.1192 -206486.8011 18012.7230 0.0000 0.0000 34314.5361 -149263.1292 299.6774 -183577.6653 -149167.3591 299.1825 158.1469 195.2947 556067.3316 4.1467 4.0611 PRESSURE: 521200 -137.066 53.5829 -51.7271 53.583 66.7056 228.857 -51.7257 228.858 67.6628 GPRESSURE: 521200 -93.9055 112.522 -90.6873 -34.5769 95.4096 215.692 -77.0141 255.467 101.732 PRESSAVG: 521200 -8.87323 73.7424 -22.2398 73.7424 -21.2209 12.4547 -22.2397 12.4547 44.0062 GPRESSAVG: 521200 -9.89581 76.2216 -25.0784 71.1583 -21.7738 13.5134 -19.1361 10.5863 45.3214 TIMING: 521200 CPU: 1563.96, 0.00312105/step Wall: 1563.96, 0.00312105/step, 3.88293 hours remaining, 207.226562 MB of memory in use. ENERGY: 521200 688.7028 2123.8747 1976.1860 116.0979 -206307.5730 17743.8168 0.0000 0.0000 34469.5528 -149189.3419 301.0312 -183658.8947 -149088.5973 299.8045 -0.8991 34.4122 557819.6356 4.6373 4.5506 PRESSURE: 521400 -197.857 70.1829 -97.6218 70.1838 -225.072 173.871 -97.6219 173.87 66.0176 GPRESSURE: 521400 -168.459 78.7345 -117.384 21.6247 -209.244 110.948 -62.3523 129.564 123.478 PRESSAVG: 521400 -64.3483 12.8646 2.44752 12.8646 -39.0349 19.6275 2.44754 19.6274 98.2032 GPRESSAVG: 521400 -64.1222 10.1133 4.61991 14.2045 -38.201 19.6225 0.915533 20.4017 97.2026 TIMING: 521400 CPU: 1564.58, 0.00309452/step Wall: 1564.58, 0.00309452/step, 3.84975 hours remaining, 207.226562 MB of memory in use. ENERGY: 521400 775.9826 2122.2672 1935.5658 103.6476 -206149.1906 17809.5369 0.0000 0.0000 34226.4154 -149175.7750 298.9078 -183402.1904 -149088.5558 299.9931 -118.9705 -84.7418 558903.0235 -1.7267 -1.7069 PRESSURE: 521600 17.0191 -36.2897 2.81527 -36.2909 -124.23 -34.9456 2.81407 -34.9459 -207.22 GPRESSURE: 521600 69.5219 -30.7133 -0.505229 -117.677 -96.3078 42.6861 12.8317 -82.8089 -178.588 PRESSAVG: 521600 16.1012 -20.4157 7.74757 -20.4156 -58.3611 -37.3216 7.74745 -37.3216 -0.108393 GPRESSAVG: 521600 16.0236 -19.8781 9.92517 -19.7974 -58.94 -37.1585 5.02677 -36.4438 0.610697 TIMING: 521600 CPU: 1565.19, 0.00305573/step Wall: 1565.19, 0.00305573/step, 3.80133 hours remaining, 207.226562 MB of memory in use. ENERGY: 521600 729.4159 2137.8796 1905.9620 107.3257 -206083.2303 17727.3160 0.0000 0.0000 34309.3052 -149166.0259 299.6317 -183475.3311 -149068.9786 299.6478 -104.8101 -68.4581 558220.4064 -14.1228 -14.1019 PRESSURE: 521800 42.9321 -113.147 64.5544 -113.149 -364.386 30.837 64.555 30.8366 5.55391 GPRESSURE: 521800 16.2793 -121.779 164.757 -143.777 -305.891 20.1295 -20.4803 85.6079 69.7166 PRESSAVG: 521800 55.1706 -5.90626 1.36776 -5.90628 -73.3719 -38.3426 1.36781 -38.3425 39.748 GPRESSAVG: 521800 55.5645 -4.58873 -1.04283 -7.71309 -73.7805 -38.9328 1.82306 -39.5215 40.7186 TIMING: 521800 CPU: 1565.8, 0.00303275/step Wall: 1565.8, 0.00303275/step, 3.77258 hours remaining, 207.226562 MB of memory in use. ENERGY: 521800 736.2927 2086.7277 1940.3678 107.8066 -206079.8489 17808.7868 0.0000 0.0000 34240.0097 -149159.8577 299.0265 -183399.8674 -149056.1743 299.0365 -105.3001 -73.2984 559311.1419 7.1823 7.5009 PRESSURE: 522000 9.18201 -54.5932 150.751 -54.593 247.466 -164.176 150.751 -164.175 145.074 GPRESSURE: 522000 72.4489 -47.4643 133.963 -92.3596 231.144 -201.59 148.046 -161.711 178.689 PRESSAVG: 522000 -43.2563 -17.593 -71.7247 -17.5931 -29.4024 -47.9813 -71.7246 -47.9813 27.8647 GPRESSAVG: 522000 -43.7266 -18.4926 -73.2674 -17.3463 -29.3677 -50.6495 -69.1689 -45.3236 28.0455 TIMING: 522000 CPU: 1566.41, 0.00307344/step Wall: 1566.41, 0.00307344/step, 3.82301 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: 522000 739.5503 2048.0137 1945.1019 113.3444 -206398.3733 18078.5406 0.0000 0.0000 34241.2021 -149232.6203 299.0369 -183473.8225 -149134.3135 299.2226 133.9072 160.7605 558787.3333 -14.9313 -15.0163 PRESSURE: 522200 55.9943 36.2209 162.864 36.2192 -69.4908 -129.466 162.865 -129.465 122.089 GPRESSURE: 522200 88.0427 62.5882 173.946 -3.95026 -10.2881 -112.643 99.3482 -191.467 145.342 PRESSAVG: 522200 -21.9505 -28.7295 14.0714 -28.7296 17.1129 -22.2717 14.0714 -22.2717 16.9832 GPRESSAVG: 522200 -20.9028 -29.5435 15.8583 -27.0388 17.7577 -17.007 11.671 -26.4128 15.2866 TIMING: 522200 CPU: 1567.02, 0.00303017/step Wall: 1567.02, 0.00303017/step, 3.76903 hours remaining, 207.226562 MB of memory in use. ENERGY: 522200 684.1947 2022.0224 1969.9729 118.8382 -205965.9506 17785.2965 0.0000 0.0000 34168.9680 -149216.6578 298.4061 -183385.6258 -149125.8347 298.9100 36.1975 74.3656 558284.5055 4.0485 4.0472 PRESSURE: 522400 12.3157 120.702 15.5612 120.703 348.229 -104.531 15.561 -104.531 -17.2474 GPRESSURE: 522400 65.8922 185.414 120.375 135.475 296.989 -44.0321 -6.11127 -157.088 86.9009 PRESSAVG: 522400 -36.4937 -9.91473 8.61311 -9.91477 -21.6879 21.7736 8.61317 21.7737 39.1145 GPRESSAVG: 522400 -36.9514 -9.2745 9.90053 -9.58536 -22.0887 21.3431 9.92699 22.6199 39.5335 TIMING: 522400 CPU: 1567.62, 0.00302652/step Wall: 1567.62, 0.00302652/step, 3.76431 hours remaining, 207.226562 MB of memory in use. ENERGY: 522400 733.2520 2099.3655 1946.9625 113.2902 -206456.4191 17997.0061 0.0000 0.0000 34456.7673 -149109.7756 300.9195 -183566.5428 -149018.2530 299.6691 114.4324 149.9275 557159.2990 -6.3557 -6.5022 PRESSURE: 522600 105.733 181.662 31.0615 181.662 49.9516 -188.303 31.0614 -188.303 -0.569818 GPRESSURE: 522600 86.7978 125.973 26.0064 216.084 93.3733 -144.508 -9.39232 -223.517 72.4326 PRESSAVG: 522600 -45.928 49.4352 1.62844 49.4352 46.9567 -77.0067 1.62853 -77.0067 -8.19455 GPRESSAVG: 522600 -45.3536 49.8783 0.705077 48.0638 46.8851 -78.5022 1.58595 -75.8948 -8.56541 TIMING: 522600 CPU: 1568.23, 0.00301618/step Wall: 1568.23, 0.00301618/step, 3.75129 hours remaining, 207.226562 MB of memory in use. ENERGY: 522600 766.4632 2085.4748 1942.0337 128.1143 -206164.9294 17793.5123 0.0000 0.0000 34353.3222 -149096.0088 300.0161 -183449.3311 -148999.2625 299.9262 51.7050 84.2012 555421.9163 -2.3886 -2.3446 PRESSURE: 522800 -38.9899 -109.549 52.051 -109.551 -202.127 29.1777 52.051 29.1783 23.2155 GPRESSURE: 522800 0.388299 -59.0235 96.6799 -145.314 -191.48 22.4928 19.4967 23.7664 58.387 PRESSAVG: 522800 -48.4998 74.3304 15.0859 74.3304 22.8467 -28.9131 15.0859 -28.9131 56.6839 GPRESSAVG: 522800 -49.319 73.5686 14.2299 73.0475 23.3963 -28.1189 14.1152 -30.5178 56.6938 TIMING: 522800 CPU: 1568.83, 0.00301345/step Wall: 1568.83, 0.00301345/step, 3.74773 hours remaining, 207.226562 MB of memory in use. ENERGY: 522800 726.7970 2079.8033 1941.1826 105.5676 -205962.0369 17678.7799 0.0000 0.0000 34400.0161 -149029.8905 300.4239 -183429.9065 -148928.6058 299.9519 -72.6338 -44.2349 556716.3055 10.3436 10.2570 PRESSURE: 523000 5.42124 190.839 -90.6748 190.837 -91.3814 134.264 -90.6742 134.263 -42.0338 GPRESSURE: 523000 12.6915 214.089 -62.0223 207.914 -57.3803 137.901 -66.5262 188.141 8.58481 PRESSAVG: 523000 -56.5164 -10.682 5.33685 -10.682 85.6197 -64.0728 5.33686 -64.0728 0.947391 GPRESSAVG: 523000 -56.5156 -13.1544 5.1228 -7.16778 86.1361 -63.1925 7.17807 -62.6306 0.466851 TIMING: 523000 CPU: 1569.43, 0.00299017/step Wall: 1569.43, 0.00299017/step, 3.71861 hours remaining, 207.226562 MB of memory in use. ENERGY: 523000 741.9050 2148.7544 1958.2862 103.8673 -205719.1331 17630.5329 0.0000 0.0000 34286.1362 -148849.6510 299.4294 -183135.7872 -148752.7779 300.0311 -42.6647 -12.0347 557585.5488 10.0169 10.0291 PRESSURE: 523200 5.90632 -33.4417 -67.2882 -33.4416 -75.3352 160.774 -67.289 160.774 -88.5668 GPRESSURE: 523200 52.1637 -106.477 -28.3558 7.80344 -74.5313 132.912 -102.807 172.862 -27.9666 PRESSAVG: 523200 -49.0365 -32.9415 5.13655 -32.9415 61.1782 25.4505 5.13672 25.4505 -34.0839 GPRESSAVG: 523200 -49.3401 -31.1111 6.67258 -38.3456 59.7009 23.5403 3.04115 25.9724 -32.4688 TIMING: 523200 CPU: 1570.03, 0.00300385/step Wall: 1570.03, 0.00300385/step, 3.73546 hours remaining, 207.226562 MB of memory in use. ENERGY: 523200 759.0427 2085.6363 1941.6178 114.9444 -206127.9376 17906.3483 0.0000 0.0000 34337.4509 -148982.8971 299.8775 -183320.3480 -148875.4304 299.9655 -52.6652 -16.7781 558410.9702 -7.3141 -7.3693 PRESSURE: 523400 -135.548 61.0946 -34.4751 61.095 129.452 51.0351 -34.4737 51.0361 39.7448 GPRESSURE: 523400 -92.1947 90.4884 -29.964 45.3504 149.674 84.8246 -42.9645 55.161 64.6162 PRESSAVG: 523400 -49.7414 -71.2932 15.2876 -71.2931 -15.8133 -29.7188 15.2877 -29.7189 52.9519 GPRESSAVG: 523400 -48.744 -71.0304 14.0402 -69.4201 -16.1578 -29.2406 15.0312 -29.9206 51.6499 TIMING: 523400 CPU: 1570.63, 0.00302088/step Wall: 1570.63, 0.00302088/step, 3.75647 hours remaining, 207.226562 MB of memory in use. ENERGY: 523400 726.0075 2078.2825 1971.5374 120.3318 -206129.9813 17895.6645 0.0000 0.0000 34140.1370 -149198.0206 298.1543 -183338.1576 -149100.7023 299.4490 11.2161 40.6984 559280.7613 -4.2009 -4.4173 PRESSURE: 523600 -184.345 -17.0033 60.3094 -17.0053 -282.465 -170.326 60.3099 -170.327 -73.3054 GPRESSURE: 523600 -137.22 -76.4745 22.4137 124.28 -307.114 -135.23 130.664 -121.635 9.02901 PRESSAVG: 523600 -56.5073 -37.7897 -10.998 -37.7897 30.5337 -7.43631 -10.9981 -7.43628 39.8399 GPRESSAVG: 523600 -57.0376 -37.4367 -10.4211 -35.0834 30.9535 -6.85626 -10.7599 -6.92874 40.0125 TIMING: 523600 CPU: 1571.23, 0.00300799/step Wall: 1571.23, 0.00300799/step, 3.74026 hours remaining, 207.226562 MB of memory in use. ENERGY: 523600 785.1012 2096.4452 1960.3408 113.9047 -206024.2475 17687.3561 0.0000 0.0000 34096.6785 -149284.4211 297.7748 -183381.0996 -149198.5935 298.6415 -180.0383 -145.1019 558337.6253 4.6221 4.6428 PRESSURE: 523800 -245.18 36.8368 5.07063 36.8378 -70.5324 -36.029 5.0688 -36.0288 77.5868 GPRESSURE: 523800 -230.087 -76.1661 -18.1565 4.94144 -9.34321 -11.1803 27.3162 -19.9186 85.8509 PRESSAVG: 523800 -76.0195 -20.6455 35.1353 -20.6455 -10.299 -41.6909 35.1353 -41.6908 65.9709 GPRESSAVG: 523800 -75.7719 -19.9775 35.2746 -23.1577 -9.93007 -41.536 35.0423 -43.509 65.8913 TIMING: 523800 CPU: 1571.84, 0.00301696/step Wall: 1571.84, 0.00301696/step, 3.75125 hours remaining, 207.226562 MB of memory in use. ENERGY: 523800 761.5057 2184.4556 1969.2345 113.3281 -206467.2408 17834.8551 0.0000 0.0000 34392.9571 -149210.9047 300.3622 -183603.8618 -149118.3275 299.2360 -79.3752 -51.1931 557820.4014 -6.7825 -6.6035 PRESSURE: 524000 147.54 -3.24559 217.411 -3.2463 -67.9772 -54.0504 217.41 -54.0486 269.309 GPRESSURE: 524000 194.765 -56.9631 291.348 70.154 -43.3201 8.538 157.981 -113.587 296.858 PRESSAVG: 524000 -37.741 18.4443 23.6187 18.4443 -13.8393 -16.3006 23.6187 -16.3007 19.1161 GPRESSAVG: 524000 -37.6387 15.72 22.3399 21.0614 -13.1204 -14.5737 22.9153 -17.0343 18.2114 TIMING: 524000 CPU: 1572.44, 0.00302815/step Wall: 1572.44, 0.00302815/step, 3.765 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: 524000 758.4509 2002.1476 1910.5885 112.9261 -206794.2896 18103.8509 0.0000 0.0000 34506.2257 -149400.0999 301.3515 -183906.3256 -149298.9589 298.9043 116.2905 149.4345 557550.6226 -10.8214 -10.8493 PRESSURE: 524200 -206.585 42.4491 -131.046 42.4499 30.9095 38.4742 -131.046 38.4755 -218.553 GPRESSURE: 524200 -198.374 18.0521 -110.738 63.2483 59.6391 30.835 -182.128 20.2754 -154.142 PRESSAVG: 524200 -22.4791 -34.9035 -3.20695 -34.9036 -7.45845 -4.49672 -3.20698 -4.49676 13.9211 GPRESSAVG: 524200 -23.1179 -34.5827 -2.05355 -35.0698 -7.27744 -5.98476 -1.77507 -1.9444 14.4369 TIMING: 524200 CPU: 1573.05, 0.00304091/step Wall: 1573.05, 0.00304091/step, 3.7807 hours remaining, 207.226562 MB of memory in use. ENERGY: 524200 733.7417 2121.8901 1953.7951 105.6805 -206158.3620 17558.9684 0.0000 0.0000 34166.2874 -149517.9989 298.3827 -183684.2863 -149423.2608 298.2749 -131.4092 -97.6255 556777.6816 -5.3388 -5.3195 LDB: ============= START OF LOAD BALANCING ============== 1576.57 LDB: ============== END OF LOAD BALANCING =============== 1576.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1576.57 LDB: ============= START OF LOAD BALANCING ============== 1576.88 LDB: Largest compute 4800 load 0.033092 is 28.1% of average load 0.117881 LDB: Average compute 0.001731 is 1.5% of average load 0.117881 LDB: TIME 1576.88 LOAD: AVG 0.117881 MAX 0.210988 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.188 MB LDB: TIME 1576.88 LOAD: AVG 0.117881 MAX 0.210988 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.25 MB LDB: TIME 1576.88 LOAD: AVG 0.117881 MAX 0.210988 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.25 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1576.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1576.88 PRESSURE: 524400 240.473 1.56747 33.6007 1.5672 -25.069 37.2271 33.602 37.2274 250.98 GPRESSURE: 524400 286.269 21.6001 -89.8112 16.1367 22.6815 55.4954 195.193 21.0586 248.851 PRESSAVG: 524400 46.0755 72.2581 3.32735 72.2581 -63.5146 5.75649 3.32744 5.7565 33.3502 GPRESSAVG: 524400 47.2004 73.2434 1.5413 71.3494 -64.2612 6.98973 3.41063 2.96631 32.9443 TIMING: 524400 CPU: 1573.67, 0.00308117/step Wall: 1573.67, 0.00308117/step, 3.83058 hours remaining, 206.253906 MB of memory in use. ENERGY: 524400 733.9704 2104.6963 1923.8021 111.5187 -206768.0856 18152.3459 0.0000 0.0000 34131.9527 -149609.7995 298.0828 -183741.7522 -149518.3819 298.1965 155.4615 185.9339 557115.3486 5.3037 5.2945 PRESSURE: 524600 -260.533 111.677 49.4048 111.674 -73.3742 40.815 49.4054 40.8158 166.328 GPRESSURE: 524600 -200.497 93.587 65.6623 61.7106 -58.0689 89.6028 -6.58061 42.7252 189.859 PRESSAVG: 524600 -53.4755 79.39 -42.9335 79.39 -40.8293 -12.4663 -42.9336 -12.4663 70.6037 GPRESSAVG: 524600 -54.5985 78.8686 -40.322 78.0023 -40.4974 -12.336 -44.6858 -11.9294 70.9223 TIMING: 524600 CPU: 1574.28, 0.00304872/step Wall: 1574.28, 0.00304872/step, 3.79006 hours remaining, 206.511719 MB of memory in use. ENERGY: 524600 727.7703 2063.5628 1964.9293 103.9174 -206283.5976 17633.9291 0.0000 0.0000 34206.1748 -149583.3139 298.7310 -183789.4887 -149486.1253 297.6378 -55.8599 -22.9024 557595.5885 -7.9004 -8.0578 PRESSURE: 524800 -22.6019 21.645 123.332 21.6431 79.6181 -137.976 123.332 -137.976 -41.6081 GPRESSURE: 524800 32.3046 33.5436 108.197 134.869 79.7006 -145.971 124.216 -190.444 -6.63874 PRESSAVG: 524800 19.4234 -23.3785 46.5428 -23.3784 -21.5619 18.2015 46.5428 18.2015 27.4845 GPRESSAVG: 524800 20.6674 -22.5 45.2001 -22.6497 -21.6967 18.1728 49.7992 18.1325 26.5883 TIMING: 524800 CPU: 1574.89, 0.00305979/step Wall: 1574.89, 0.00305979/step, 3.80366 hours remaining, 206.511719 MB of memory in use. ENERGY: 524800 757.2634 2156.1841 1981.2759 124.7522 -206493.7690 17828.4847 0.0000 0.0000 34306.6732 -149339.1355 299.6087 -183645.8087 -149242.1182 299.1903 5.1360 35.1222 557194.2193 8.4487 8.5197 PRESSURE: 525000 112.709 256.849 -26.642 256.849 -17.2986 170.581 -26.6412 170.581 -254.972 GPRESSURE: 525000 187.521 263.209 0.461897 238.271 -34.7809 107.187 19.7001 162.252 -217.746 PRESSAVG: 525000 0.0615931 24.4199 -10.4331 24.4199 10.174 -1.7365 -10.4331 -1.73659 -13.5219 GPRESSAVG: 525000 -1.00506 23.3363 -11.306 25.0817 9.57231 -0.970407 -9.83244 -0.534626 -12.4573 TIMING: 525000 CPU: 1575.5, 0.0030522/step Wall: 1575.5, 0.0030522/step, 3.79406 hours remaining, 206.511719 MB of memory in use. ENERGY: 525000 754.2236 2146.0054 1982.7767 109.7393 -206504.0890 17956.4505 0.0000 0.0000 34330.7938 -149224.0997 299.8194 -183554.8935 -149132.8863 299.6510 -53.1873 -21.6688 556378.6269 -1.0954 -1.2967 PRESSURE: 525200 -325.329 53.3676 -23.2495 53.3681 -251.573 -10.6134 -23.2496 -10.6146 -285.82 GPRESSURE: 525200 -288.043 45.8352 5.62594 24.9561 -204.72 -8.23717 -29.38 -27.5213 -274.815 PRESSAVG: 525200 -8.24272 -11.0815 12.6338 -11.0816 -5.54862 38.2994 12.6338 38.2993 40.8465 GPRESSAVG: 525200 -8.62214 -11.8772 13.2009 -9.94406 -5.68359 36.9543 11.1707 38.4971 41.4405 TIMING: 525200 CPU: 1576.11, 0.00302919/step Wall: 1576.11, 0.00302919/step, 3.76528 hours remaining, 206.511719 MB of memory in use. ENERGY: 525200 777.2146 2111.7060 1961.0276 112.8980 -206068.8869 17603.2215 0.0000 0.0000 34138.4049 -149364.4143 298.1392 -183502.8192 -149267.9095 299.3743 -287.5742 -255.8593 559154.1467 9.0184 9.0449 PRESSURE: 525400 50.7685 -5.75039 218.91 -5.74837 41.7119 -116.183 218.909 -116.184 44.061 GPRESSURE: 525400 110.421 -70.8714 247.483 36.7373 113.013 -160.077 255.246 -19.1001 10.4425 PRESSAVG: 525400 -4.91039 -12.294 5.44106 -12.2941 -25.4639 43.8976 5.44112 43.8975 26.3111 GPRESSAVG: 525400 -3.79588 -12.6903 4.98464 -13.6327 -25.1288 43.548 6.56323 44.4128 25.0648 TIMING: 525400 CPU: 1576.71, 0.00303779/step Wall: 1576.71, 0.00303779/step, 3.7758 hours remaining, 206.511719 MB of memory in use. ENERGY: 525400 751.4709 2067.7694 1971.6647 118.8921 -206372.4304 17910.1202 0.0000 0.0000 34157.5465 -149394.9665 298.3063 -183552.5130 -149298.9837 299.3336 45.5138 77.9586 558693.3162 -1.3544 -1.2866 PRESSURE: 525600 -35.6241 -64.1543 44.1831 -64.1535 -151.96 -91.9136 44.1835 -91.914 -10.6057 GPRESSURE: 525600 -17.2611 8.39417 -36.8145 -161.223 -122.583 -53.727 5.35266 -165.777 63.3469 PRESSAVG: 525600 54.0024 23.1141 28.3847 23.1142 -64.1862 9.52047 28.3849 9.52041 30.4375 GPRESSAVG: 525600 52.8724 25.3737 28.9486 21.4535 -63.9521 9.61381 23.6631 7.76247 30.9619 TIMING: 525600 CPU: 1577.32, 0.00303561/step Wall: 1577.32, 0.00303561/step, 3.77292 hours remaining, 206.511719 MB of memory in use. ENERGY: 525600 739.7441 2085.0206 1940.7574 106.8693 -206476.9515 17814.0689 0.0000 0.0000 34329.4329 -149461.0582 299.8075 -183790.4911 -149362.0907 299.5370 -66.0631 -25.4991 557625.3652 6.7512 6.6274 PRESSURE: 525800 -77.4022 -92.8005 -25.8464 -92.8016 185.995 166.667 -25.8448 166.667 -135.74 GPRESSURE: 525800 -10.4924 -108.681 -19.0047 -99.2322 148.1 106.021 -32.5247 176.911 -66.1809 PRESSAVG: 525800 14.4488 49.2825 -4.55979 49.2824 45.6235 14.1544 -4.55967 14.1545 -16.9266 GPRESSAVG: 525800 15.3991 49.3977 -4.54336 49.519 45.5892 15.4835 -1.05958 13.256 -17.5863 TIMING: 525800 CPU: 1577.92, 0.0030171/step Wall: 1577.92, 0.0030171/step, 3.74975 hours remaining, 206.511719 MB of memory in use. ENERGY: 525800 740.9698 2092.0037 1956.5842 117.9937 -206703.2797 17876.2018 0.0000 0.0000 34383.3210 -149536.2055 300.2781 -183919.5266 -149433.7334 298.8364 -9.0490 23.8090 557249.9012 14.3819 14.4673 PRESSURE: 526000 -172.697 38.1376 -159.634 38.1378 51.981 109.383 -159.632 109.384 93.3991 GPRESSURE: 526000 -138.137 128.984 -93.8507 -51.194 85.1168 -34.2089 -106.546 94.1455 123.088 PRESSAVG: 526000 18.4168 12.1913 -58.6466 12.1914 11.1951 -8.55074 -58.6464 -8.55063 -21.9003 GPRESSAVG: 526000 17.504 12.0559 -56.5626 12.307 11.3861 -11.4927 -61.6075 -7.47357 -20.9382 TIMING: 526000 CPU: 1578.53, 0.00301164/step Wall: 1578.53, 0.00301164/step, 3.7428 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: 526000 715.1920 2110.4304 1956.8151 107.7926 -206341.2327 17797.2644 0.0000 0.0000 34101.0560 -149552.6822 297.8130 -183653.7382 -149454.8302 298.6401 -9.1057 23.3560 556933.0442 2.5706 2.6506 PRESSURE: 526200 -177.287 -37.6984 19.4149 -37.6978 -111.408 -226.719 19.4145 -226.72 -130.455 GPRESSURE: 526200 -191.191 -19.4287 -9.83315 -62.0733 -79.856 -217.727 20.2201 -129.975 -49.5289 PRESSAVG: 526200 -8.17016 43.1738 32.1613 43.1737 28.0585 -96.9518 32.1612 -96.9518 14.2506 GPRESSAVG: 526200 -7.66401 42.4657 29.8352 43.5175 27.5557 -95.6775 36.3358 -96.1538 14.2394 TIMING: 526200 CPU: 1579.13, 0.00299519/step Wall: 1579.13, 0.00299519/step, 3.72219 hours remaining, 206.511719 MB of memory in use. ENERGY: 526200 745.5646 2118.3858 1935.6772 108.6241 -206261.0519 17582.0433 0.0000 0.0000 34252.9048 -149517.8521 299.1391 -183770.7569 -149419.4456 298.8710 -139.7168 -106.8588 556928.1880 11.3797 11.3770 PRESSURE: 526400 -185.586 63.5303 39.9176 63.5317 -154.278 -112.423 39.917 -112.424 32.1428 GPRESSURE: 526400 -154.988 4.81381 -67.3079 -7.53549 -113.945 -56.8244 19.1146 -90.0761 62.7919 PRESSAVG: 526400 21.8853 1.27675 3.87365 1.27666 -18.4316 -41.0566 3.8736 -41.0566 -19.6097 GPRESSAVG: 526400 22.9475 1.03059 4.35814 0.783114 -17.9771 -40.1707 2.51448 -41.2087 -20.8286 TIMING: 526400 CPU: 1579.73, 0.00300034/step Wall: 1579.73, 0.00300034/step, 3.72843 hours remaining, 206.511719 MB of memory in use. ENERGY: 526400 768.0051 2127.6461 1951.4806 115.8835 -206434.8528 17642.6597 0.0000 0.0000 34075.3782 -149753.7997 297.5888 -183829.1778 -149650.0019 298.4438 -102.5736 -68.7138 555362.5986 -5.3854 -5.2860 PRESSURE: 526600 -177.572 88.7218 -15.9839 88.723 12.8411 -25.1959 -15.9825 -25.195 72.6254 GPRESSURE: 526600 -181.335 138.346 -1.84316 8.41064 -12.2489 53.6667 -6.18409 -36.1192 190.202 PRESSAVG: 526600 -43.9569 -29.9945 -44.0047 -29.9945 -25.6641 20.1956 -44.0046 20.1956 57.4022 GPRESSAVG: 526600 -45.885 -28.1367 -43.4395 -29.2557 -26.1496 20.7856 -44.3631 17.6792 59.8859 TIMING: 526600 CPU: 1580.33, 0.00300481/step Wall: 1580.33, 0.00300481/step, 3.73381 hours remaining, 206.511719 MB of memory in use. ENERGY: 526600 712.0364 2135.4849 1953.2161 115.6086 -206633.8519 17927.0839 0.0000 0.0000 34115.3943 -149675.0278 297.9382 -183790.4220 -149580.9862 297.9166 -30.7018 -1.1272 557323.0918 -4.0729 -4.0496 PRESSURE: 526800 50.5922 -72.852 54.9802 -72.8526 -48.0259 76.9389 54.9798 76.939 20.1102 GPRESSURE: 526800 63.2012 -65.6746 58.1999 -47.9233 32.8455 149.13 125.718 41.3583 43.7785 PRESSAVG: 526800 -38.3721 27.8295 -37.9708 27.8295 16.1394 -13.7017 -37.9707 -13.7017 50.6039 GPRESSAVG: 526800 -37.5438 25.6658 -38.1389 28.3931 16.5453 -14.0731 -38.278 -12.0445 49.5735 TIMING: 526800 CPU: 1580.93, 0.00301584/step Wall: 1580.93, 0.00301584/step, 3.74735 hours remaining, 206.511719 MB of memory in use. ENERGY: 526800 754.7998 2123.0354 1922.3190 114.8375 -206879.8919 18062.7751 0.0000 0.0000 34221.2088 -149680.9164 298.8623 -183902.1251 -149591.3479 297.5663 7.5588 46.6084 557017.4052 9.4571 9.5250 PRESSURE: 527000 47.4652 6.57076 -41.6367 6.57174 -177.589 -94.6555 -41.6376 -94.6558 -19.7342 GPRESSURE: 527000 69.3113 5.70955 -16.192 -28.7965 -100.263 -62.3714 -23.0031 -133.729 -29.0244 PRESSAVG: 527000 -18.9827 5.73175 -36.4701 5.73173 -46.8255 45.3239 -36.47 45.3238 63.4767 GPRESSAVG: 527000 -18.6633 7.28819 -37.5538 5.02419 -47.5969 45.4773 -35.4405 44.5108 63.4472 TIMING: 527000 CPU: 1581.53, 0.00301856/step Wall: 1581.53, 0.00301856/step, 3.75057 hours remaining, 206.511719 MB of memory in use. ENERGY: 527000 761.9441 2096.6991 1912.2853 110.2546 -206163.3032 17499.8463 0.0000 0.0000 34132.6339 -149649.6398 298.0888 -183782.2737 -149544.9832 297.7342 -49.9526 -19.9922 556604.6822 -0.7772 -0.9377 PRESSURE: 527200 -184.092 -136.185 51.3714 -136.187 -225.363 147.865 51.3717 147.864 -29.5558 GPRESSURE: 527200 -170.624 -85.7286 109.033 -85.2811 -203.318 106.824 2.34401 157.216 39.9132 PRESSAVG: 527200 -21.9552 -5.10277 -10.5869 -5.10279 -37.5167 21.9533 -10.587 21.9534 54.6578 GPRESSAVG: 527200 -21.7014 -6.69086 -9.41793 -4.17397 -38.3677 21.3803 -12.7131 22.9528 55.2715 TIMING: 527200 CPU: 1582.14, 0.00302995/step Wall: 1582.14, 0.00302995/step, 3.76454 hours remaining, 206.511719 MB of memory in use. ENERGY: 527200 743.6689 2056.7291 1945.4836 123.4918 -206237.3887 17636.4887 0.0000 0.0000 34153.2335 -149578.2930 298.2687 -183731.5265 -149489.2373 298.4457 -146.3370 -111.3431 557045.3862 -1.6047 -1.5992 PRESSURE: 527400 45.3917 39.3028 7.88269 39.304 -38.4699 -52.1968 7.88377 -52.1988 120.697 GPRESSURE: 527400 104.808 -14.1994 -4.95552 125.216 -54.4937 -35.5966 78.0812 -36.2332 175.169 PRESSAVG: 527400 15.6297 26.9716 -45.162 26.9717 -77.343 22.6717 -45.162 22.6716 65.929 GPRESSAVG: 527400 15.033 26.8641 -45.5062 27.9344 -77.3654 22.5254 -44.5927 22.8477 66.2847 TIMING: 527400 CPU: 1582.74, 0.00301859/step Wall: 1582.74, 0.00301859/step, 3.75026 hours remaining, 206.511719 MB of memory in use. ENERGY: 527400 734.5842 2091.2194 1939.7485 115.1542 -206546.5980 17828.8476 0.0000 0.0000 34301.5567 -149535.4874 299.5640 -183837.0441 -149439.0609 298.0660 42.5397 75.1610 556103.4372 1.4053 1.3174 PRESSURE: 527600 46.4721 123.254 -80.2016 123.253 -23.7936 139.664 -80.2032 139.664 34.2856 GPRESSURE: 527600 49.3009 106.303 -73.3821 84.1648 37.9228 155.778 -57.3713 134.401 67.1877 PRESSAVG: 527600 2.20178 39.1675 -28.7016 39.1674 11.733 20.8306 -28.7015 20.8303 56.0846 GPRESSAVG: 527600 2.39427 38.727 -30.5816 37.1983 11.6614 19.8587 -27.2365 21.9328 55.4677 TIMING: 527600 CPU: 1583.35, 0.00301247/step Wall: 1583.35, 0.00301247/step, 3.74249 hours remaining, 206.511719 MB of memory in use. ENERGY: 527600 713.1850 2142.0506 1893.7868 123.9290 -206213.0797 17779.8925 0.0000 0.0000 34178.3346 -149381.9012 298.4879 -183560.2358 -149281.3552 299.2486 18.9880 51.4705 558474.1408 23.3398 23.1745 PRESSURE: 527800 66.5639 -118.982 137.422 -118.982 -174.548 -84.6935 137.422 -84.694 38.159 GPRESSURE: 527800 126.191 -81.4859 51.3437 -61.3913 -123.15 -123.3 199.837 -52.7818 29.8546 PRESSAVG: 527800 22.0066 -5.24186 -27.4711 -5.2418 -43.2374 26.2464 -27.4711 26.2464 -18.8807 GPRESSAVG: 527800 21.7672 -2.16991 -25.9424 -5.1942 -42.7103 26.9175 -27.9164 25.5766 -19.6833 TIMING: 527800 CPU: 1583.95, 0.00303686/step Wall: 1583.95, 0.00303686/step, 3.77262 hours remaining, 206.511719 MB of memory in use. ENERGY: 527800 737.2076 2138.3006 1952.3695 111.8201 -206321.0294 17958.2964 0.0000 0.0000 33941.5444 -149481.4907 296.4199 -183423.0351 -149391.3579 298.3297 -23.2750 10.9651 559414.6105 -13.3705 -13.5421 PRESSURE: 528000 -221.187 -42.9238 -33.9705 -42.9238 -194.702 -64.8362 -33.9706 -64.8356 -171.998 GPRESSURE: 528000 -202.12 -68.1503 -96.3546 -28.8751 -169.092 -123.546 6.21543 -57.1196 -120.451 PRESSAVG: 528000 -3.04843 8.56419 85.9407 8.56432 0.366542 -22.4958 85.9407 -22.4959 -10.5474 GPRESSAVG: 528000 -2.92342 5.74815 86.7419 9.72646 1.01519 -21.3479 86.3081 -22.7335 -11.22 TIMING: 528000 CPU: 1584.57, 0.00308219/step Wall: 1584.57, 0.00308219/step, 3.82876 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: 528000 767.2225 2130.9511 1942.6473 107.7904 -205978.4522 17594.4108 0.0000 0.0000 34085.2000 -149350.2301 297.6745 -183435.4301 -149250.2535 298.5585 -195.9623 -163.8877 557881.7216 -4.4098 -4.3761 PRESSURE: 528200 -17.8234 -102.184 73.0706 -102.184 82.866 162.992 73.0706 162.991 156.445 GPRESSURE: 528200 8.67054 -72.5223 76.3054 -153.084 140.966 124.478 51.6939 126.948 161.861 PRESSAVG: 528200 -85.8999 -38.0805 56.7596 -38.0806 65.5681 69.176 56.7596 69.1758 32.3121 GPRESSAVG: 528200 -85.6788 -35.0742 55.8409 -40.3494 65.6402 68.7631 56.9126 69.1035 31.7888 TIMING: 528200 CPU: 1585.18, 0.00305142/step Wall: 1585.18, 0.00305142/step, 3.79037 hours remaining, 206.511719 MB of memory in use. ENERGY: 528200 794.7895 2104.2055 1958.0877 107.7267 -206639.3752 18052.2793 0.0000 0.0000 34320.4152 -149301.8714 299.7287 -183622.2866 -149207.0455 299.4043 73.8292 103.8327 556031.3353 3.9934 3.9167 LDB: ============= START OF LOAD BALANCING ============== 1588.7 LDB: ============== END OF LOAD BALANCING =============== 1588.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1588.7 LDB: ============= START OF LOAD BALANCING ============== 1589 LDB: Largest compute 4800 load 0.033293 is 28.3% of average load 0.117810 LDB: Average compute 0.001737 is 1.5% of average load 0.117810 LDB: TIME 1589 LOAD: AVG 0.11781 MAX 0.213571 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.023 MB LDB: TIME 1589 LOAD: AVG 0.11781 MAX 0.213571 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: TIME 1589 LOAD: AVG 0.11781 MAX 0.213571 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1589.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1589.01 PRESSURE: 528400 -98.5586 118.643 -123.013 118.644 -105.861 95.036 -123.012 95.0354 -285.368 GPRESSURE: 528400 -16.3159 134.436 -119.565 113.609 -134.761 26.8518 -71.2366 160.058 -230.256 PRESSAVG: 528400 29.4487 -25.4553 35.282 -25.4553 -66.2792 25.3679 35.282 25.368 40.8363 GPRESSAVG: 528400 29.1762 -28.2931 37.0847 -23.3811 -67.4326 24.9721 35.8271 25.3544 41.7817 TIMING: 528400 CPU: 1585.79, 0.0030707/step Wall: 1585.79, 0.0030707/step, 3.81415 hours remaining, 205.742188 MB of memory in use. ENERGY: 528400 715.5874 2100.2986 1958.4743 111.5357 -206473.6659 17813.1140 0.0000 0.0000 34381.6294 -149393.0265 300.2633 -183774.6559 -149300.2753 299.0876 -163.2625 -127.1107 557408.1986 1.3353 1.1751 PRESSURE: 528600 51.3152 74.2184 -27.9723 74.2184 -284.321 -10.8277 -27.9717 -10.8268 -87.997 GPRESSURE: 528600 61.4638 -11.0441 24.3734 113.125 -244.17 -40.0008 46.9869 63.9779 -19.0879 PRESSAVG: 528600 45.2679 -49.9688 107.493 -49.9687 -67.6817 2.68434 107.493 2.68431 13.2148 GPRESSAVG: 528600 43.8283 -48.2247 106.792 -52.0235 -67.4658 5.27271 105.725 1.84891 14.45 TIMING: 528600 CPU: 1586.4, 0.00304638/step Wall: 1586.4, 0.00304638/step, 3.78378 hours remaining, 205.945312 MB of memory in use. ENERGY: 528600 757.1450 2125.6585 1948.1764 135.1592 -206582.6189 17870.6267 0.0000 0.0000 34348.0293 -149397.8236 299.9699 -183745.8529 -149304.0970 299.2663 -107.0010 -67.2648 557544.5882 -3.0664 -3.0625 PRESSURE: 528800 77.4194 -103.426 -104.026 -103.425 78.9214 65.3636 -104.025 65.3646 236.683 GPRESSURE: 528800 158.171 -65.1961 -115.05 -89.6987 97.3065 60.1538 -10.1633 58.7224 235.786 PRESSAVG: 528800 19.886 -13.258 46.4429 -13.258 -41.6534 21.2753 46.4429 21.2753 -12.4329 GPRESSAVG: 528800 21.9551 -13.2346 45.1437 -12.8944 -42.0868 20.4099 47.1799 20.3862 -13.9581 TIMING: 528800 CPU: 1587.01, 0.00301535/step Wall: 1587.01, 0.00301535/step, 3.74507 hours remaining, 205.945312 MB of memory in use. ENERGY: 528800 778.8433 2103.8244 1976.2179 109.3970 -206549.7718 18057.3961 0.0000 0.0000 34174.0595 -149350.0336 298.4506 -183524.0931 -149253.0577 299.1059 131.0079 163.7543 556581.5015 -11.4001 -11.3633 PRESSURE: 529000 -60.4111 -149.44 125.386 -149.44 -47.4782 -30.1321 125.386 -30.1323 -164.779 GPRESSURE: 529000 21.8947 -153.309 94.3243 -193.773 9.11739 -64.8345 159.203 -12.803 -190.649 PRESSAVG: 529000 -27.2745 10.5444 37.8023 10.5443 37.4852 12.062 37.8024 12.062 -28.7051 GPRESSAVG: 529000 -26.6727 11.3276 39.9823 11.2435 37.0525 12.1276 38.0059 11.7222 -28.2194 TIMING: 529000 CPU: 1587.61, 0.0029931/step Wall: 1587.61, 0.0029931/step, 3.71726 hours remaining, 205.945312 MB of memory in use. ENERGY: 529000 744.3237 2127.0400 1976.9271 117.1544 -206504.6969 17769.6154 0.0000 0.0000 34441.8877 -149327.7485 300.7896 -183769.6363 -149233.6807 298.7941 -90.8893 -53.2123 557761.3593 -6.1648 -5.9465 PRESSURE: 529200 -7.16023 -67.8737 11.9611 -67.8722 -50.1506 54.9268 11.9599 54.9257 -197.465 GPRESSURE: 529200 48.0561 -51.8463 31.1696 -101.071 -68.5576 41.115 55.244 50.6655 -141.724 PRESSAVG: 529200 16.6949 -18.4683 18.2682 -18.4682 23.6239 14.9821 18.2682 14.9821 -19.5194 GPRESSAVG: 529200 15.9734 -19.5574 18.8001 -18.0382 24.5022 12.1731 16.9248 19.4317 -19.7552 TIMING: 529200 CPU: 1588.21, 0.00300477/step Wall: 1588.21, 0.00300477/step, 3.73159 hours remaining, 205.945312 MB of memory in use. ENERGY: 529200 739.9576 2090.2011 1989.8773 110.7648 -206282.5635 17647.1491 0.0000 0.0000 34293.9317 -149410.6820 299.4974 -183704.6136 -149309.2882 299.0106 -84.9251 -54.0751 557207.4820 6.9331 6.9068 PRESSURE: 529400 1.13757 34.8642 -131.915 34.8631 22.2702 -56.6024 -131.914 -56.6013 -60.3864 GPRESSURE: 529400 -8.77325 18.7254 -126.47 77.0974 76.0592 -46.451 -146.463 -81.9291 -4.60361 PRESSAVG: 529400 41.3763 11.1112 -45.7766 11.1112 -17.0185 3.03617 -45.7766 3.03618 6.08965 GPRESSAVG: 529400 41.287 8.96769 -46.678 12.3878 -17.0403 4.96426 -44.3351 1.13811 6.18453 TIMING: 529400 CPU: 1588.81, 0.00299986/step Wall: 1588.81, 0.00299986/step, 3.72532 hours remaining, 205.945312 MB of memory in use. ENERGY: 529400 735.6766 2067.7597 1964.3186 138.7667 -206400.7118 17758.0315 0.0000 0.0000 34384.1667 -149351.9919 300.2855 -183736.1586 -149261.0024 298.6136 -12.3262 20.8941 556452.6582 10.1491 10.1437 PRESSURE: 529600 -0.283365 -34.4849 -188.69 -34.4853 -79.1033 16.557 -188.691 16.5563 -263.125 GPRESSURE: 529600 76.1559 35.0472 -132.102 -110.206 -79.912 -4.53979 -231.636 11.3656 -241.148 PRESSAVG: 529600 28.5776 7.41075 -13.5266 7.41058 34.9824 -21.5994 -13.5265 -21.5994 -100.054 GPRESSAVG: 529600 28.7012 12.0738 -12.4199 6.43538 35.1404 -22.5814 -16.0472 -21.9607 -99.5382 TIMING: 529600 CPU: 1589.41, 0.00300912/step Wall: 1589.41, 0.00300912/step, 3.73666 hours remaining, 205.945312 MB of memory in use. ENERGY: 529600 742.1480 2034.1095 1958.8653 116.3380 -206316.3348 17880.0499 0.0000 0.0000 34167.2569 -149417.5672 298.3912 -183584.8241 -149320.1379 299.1789 -114.1705 -81.6348 558735.2075 -12.1646 -11.8988 PRESSURE: 529800 40.1662 4.9223 27.3388 4.92173 -120.432 77.4206 27.3384 77.4205 -201.821 GPRESSURE: 529800 93.5656 36.9312 26.5638 19.3733 -175.193 -45.098 70.415 194.971 -94.7342 PRESSAVG: 529800 81.6611 -27.8065 4.17558 -27.8064 -15.5479 57.54 4.17555 57.5399 -79.4873 GPRESSAVG: 529800 81.8354 -29.7548 2.89516 -26.5246 -16.9594 58.0118 7.25761 57.269 -78.6539 TIMING: 529800 CPU: 1590, 0.00297721/step Wall: 1590, 0.00297721/step, 3.69687 hours remaining, 205.945312 MB of memory in use. ENERGY: 529800 755.9141 2106.4496 1959.9695 114.9318 -206355.7593 17697.3723 0.0000 0.0000 34337.6523 -149383.4698 299.8793 -183721.1221 -149284.3220 298.8580 -94.0291 -58.7871 557611.7270 -4.4580 -4.5926 PRESSURE: 530000 -98.7349 3.75283 41.6059 3.75242 0.162686 -42.0051 41.6063 -42.0068 -30.7145 GPRESSURE: 530000 -37.4674 9.89177 16.1752 -3.72747 1.73952 29.3591 73.7033 -33.1494 8.22664 PRESSAVG: 530000 52.5502 2.6262 19.5317 2.62616 18.7817 32.7558 19.5317 32.7558 -64.1569 GPRESSAVG: 530000 53.0098 3.47195 19.4393 0.575488 19.1022 34.1144 19.0937 32.9538 -64.9321 TIMING: 530000 CPU: 1590.6, 0.00299281/step Wall: 1590.6, 0.00299281/step, 3.71607 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: 530000 753.5882 2071.7766 1992.5890 110.0790 -206265.4896 17832.0018 0.0000 0.0000 34033.4759 -149471.9790 297.2228 -183505.4549 -149380.5234 298.9612 -43.0956 -9.1671 557499.0258 2.3917 2.3933 PRESSURE: 530200 -132.325 111.991 78.262 111.992 42.0712 -140.624 78.2627 -140.625 21.6439 GPRESSURE: 530200 -85.4189 101.97 135.514 95.9118 82.4182 -105.887 39.5651 -51.8596 26.2382 PRESSAVG: 530200 -61.2126 30.6739 52.505 30.6739 5.3286 -19.8746 52.505 -19.8745 54.6396 GPRESSAVG: 530200 -62.385 29.4785 50.9771 31.9879 6.27882 -20.0481 52.9004 -19.9685 54.7941 TIMING: 530200 CPU: 1591.2, 0.00300034/step Wall: 1591.2, 0.00300034/step, 3.72526 hours remaining, 205.945312 MB of memory in use. ENERGY: 530200 755.2083 2090.7276 1970.6330 110.9094 -206976.5031 18185.0839 0.0000 0.0000 34345.2244 -149518.7165 299.9454 -183863.9410 -149414.3965 298.6662 -22.8701 7.7459 559253.2646 -0.4148 -0.4374 PRESSURE: 530400 123.717 -23.238 -15.4019 -23.2374 -269.586 53.1832 -15.4015 53.183 -218.116 GPRESSURE: 530400 166.526 -34.9005 4.39673 29.4902 -231.74 109.889 -21.108 -66.1942 -195.141 PRESSAVG: 530400 -2.92556 37.227 25.5447 37.2269 -65.3511 -74.0902 25.5447 -74.0903 54.1076 GPRESSAVG: 530400 -3.22087 37.9694 26.5708 35.9924 -64.6634 -75.4855 23.0341 -74.2093 54.3534 TIMING: 530400 CPU: 1591.8, 0.00298272/step Wall: 1591.8, 0.00298272/step, 3.70321 hours remaining, 205.945312 MB of memory in use. ENERGY: 530400 738.2247 2070.1622 1959.5693 116.7940 -206547.2885 17897.4154 0.0000 0.0000 34106.1003 -149659.0227 297.8571 -183765.1230 -149559.8421 298.4846 -121.3287 -86.7846 558774.5864 -4.7230 -4.5103 PRESSURE: 530600 176.129 -6.58847 -38.488 -6.5873 -40.6846 56.6332 -38.4884 56.633 34.1952 GPRESSURE: 530600 157.185 94.0616 -32.349 63.5231 9.11947 70.6646 -26.3749 50.689 89.8124 PRESSAVG: 530600 24.018 57.9927 21.3127 57.9927 -15.6844 8.65996 21.3127 8.65977 -8.32416 GPRESSAVG: 530600 25.3024 59.0275 22.0684 56.9362 -15.7001 7.84946 21.4871 8.57476 -9.4331 TIMING: 530600 CPU: 1592.41, 0.0030459/step Wall: 1592.41, 0.0030459/step, 3.78148 hours remaining, 205.945312 MB of memory in use. ENERGY: 530600 767.3264 2084.3248 1922.3106 115.0068 -207010.4107 18134.5264 0.0000 0.0000 34227.4244 -149759.4912 298.9166 -183986.9156 -149661.9539 297.1065 56.5465 85.3723 556914.9038 0.0032 0.0564 PRESSURE: 530800 -180.808 -25.6957 31.7486 -25.6954 126.964 45.7322 31.7489 45.732 -5.17184 GPRESSURE: 530800 -118.785 38.6852 19.8592 -53.5697 155.151 69.9806 81.1268 -15.373 17.5385 PRESSAVG: 530800 -36.2348 15.3151 -41.2212 15.3151 64.4379 -26.8789 -41.2212 -26.8789 9.77189 GPRESSAVG: 530800 -36.7294 13.7859 -40.9086 16.8886 64.1799 -25.7697 -39.6981 -26.8373 10.9145 TIMING: 530800 CPU: 1593.01, 0.00300787/step Wall: 1593.01, 0.00300787/step, 3.7341 hours remaining, 205.945312 MB of memory in use. ENERGY: 530800 775.2413 2102.4528 1974.6122 118.4728 -207069.6490 18109.0680 0.0000 0.0000 34242.6179 -149747.1840 299.0493 -183989.8019 -149646.6418 297.0838 -19.6718 17.9682 556007.0857 12.6583 12.7883 PRESSURE: 531000 8.91271 27.9694 -37.8869 27.97 18.3269 -106.728 -37.8875 -106.729 28.2982 GPRESSURE: 531000 6.937 -13.4682 21.4857 51.28 28.55 -65.4827 -59.4462 -103.257 127.802 PRESSAVG: 531000 -73.3012 14.5948 -42.9597 14.5949 19.1079 -25.2332 -42.9598 -25.233 45.2151 GPRESSAVG: 531000 -72.2815 14.0705 -43.0947 13.2223 18.3243 -26.7026 -44.048 -22.6715 45.4402 TIMING: 531000 CPU: 1593.62, 0.00303223/step Wall: 1593.62, 0.00303223/step, 3.76418 hours remaining, 205.945312 MB of memory in use. ENERGY: 531000 703.8671 2109.2603 1944.4440 107.6328 -206849.9199 18006.1451 0.0000 0.0000 34170.2532 -149808.3175 298.4173 -183978.5707 -149708.0684 297.9718 18.5126 54.4295 556593.0976 -2.9927 -2.8390 PRESSURE: 531200 -20.2492 -56.7449 -5.17491 -56.7452 -121.962 -157.261 -5.17471 -157.261 232.907 GPRESSURE: 531200 -10.5149 -79.8028 0.0509143 -50.3313 -69.6546 -121.819 11.0001 -162.182 265.494 PRESSAVG: 531200 -16.3923 5.81303 -49.7355 5.81304 -20.202 17.4793 -49.7356 17.4792 48.0069 GPRESSAVG: 531200 -17.516 5.61534 -50.6751 7.77393 -19.4518 21.7685 -46.5857 12.5857 48.1036 TIMING: 531200 CPU: 1594.22, 0.00300602/step Wall: 1594.22, 0.00300602/step, 3.73147 hours remaining, 205.945312 MB of memory in use. ENERGY: 531200 755.6042 2111.6167 1999.2242 120.1793 -206607.6172 17922.9438 0.0000 0.0000 34137.0456 -149561.0034 298.1273 -183698.0490 -149455.8789 297.4891 30.2318 61.7747 556819.5300 3.8042 3.7119 PRESSURE: 531400 -47.6278 72.3002 188.952 72.3002 -44.8529 91.9398 188.952 91.9404 -20.2937 GPRESSURE: 531400 5.58469 108.339 165.505 76.6793 -72.3529 21.3435 181.432 121.153 39.7495 PRESSAVG: 531400 -7.96063 -30.3838 -35.8665 -30.3837 -13.3382 -17.9762 -35.8665 -17.9762 -20.2616 GPRESSAVG: 531400 -7.61673 -27.9807 -35.6282 -31.8703 -14.5577 -20.8198 -38.1105 -15.3667 -19.6355 TIMING: 531400 CPU: 1594.81, 0.00297518/step Wall: 1594.81, 0.00297518/step, 3.69303 hours remaining, 205.945312 MB of memory in use. ENERGY: 531400 768.1823 2104.3209 1958.8910 126.7299 -206374.4098 17904.6532 0.0000 0.0000 34060.7282 -149450.9042 297.4608 -183511.6325 -149348.2909 297.4757 -37.5915 -9.0062 558673.4329 -13.8535 -13.9366 PRESSURE: 531600 303.897 -117.939 135.338 -117.939 114.032 49.7019 135.338 49.7029 18.7575 GPRESSURE: 531600 319.819 -27.9991 181.415 -104.59 174.471 98.2822 194.173 -46.2755 39.7182 PRESSAVG: 531600 -12.0126 -2.38984 25.8425 -2.38977 -20.3223 -62.2002 25.8425 -62.2003 31.6431 GPRESSAVG: 531600 -10.821 -3.4222 25.9049 -2.5348 -20.9559 -61.2161 27.5576 -62.678 31.2192 TIMING: 531600 CPU: 1595.41, 0.00296981/step Wall: 1595.41, 0.00296981/step, 3.68619 hours remaining, 205.945312 MB of memory in use. ENERGY: 531600 717.4968 2094.7212 1968.1744 110.4428 -206704.4475 18041.6252 0.0000 0.0000 34361.0427 -149410.9443 300.0835 -183771.9870 -149319.7516 298.2874 145.5620 178.0028 555473.7907 -0.2306 -0.1859 PRESSURE: 531800 -45.7553 -16.2103 -104.622 -16.2105 173.578 -145.089 -104.623 -145.092 -98.6654 GPRESSURE: 531800 23.5221 19.2554 -149.468 -71.5918 141.976 -218.621 -69.0936 -140.246 -33.0747 PRESSAVG: 531800 -5.10741 -9.45632 2.57542 -9.45636 13.108 -11.3892 2.57537 -11.3893 3.98611 GPRESSAVG: 531800 -6.33125 -8.98413 3.23009 -8.92228 13.6577 -12.575 0.46571 -11.1265 4.43989 TIMING: 531800 CPU: 1596, 0.0029939/step Wall: 1596, 0.0029939/step, 3.71593 hours remaining, 205.945312 MB of memory in use. ENERGY: 531800 738.1057 2120.9345 1977.3805 106.0037 -206392.2034 17830.5003 0.0000 0.0000 34255.9430 -149363.3358 299.1657 -183619.2788 -149267.6404 298.8586 9.7190 44.1411 555863.3605 3.9956 3.9221 PRESSURE: 532000 163.491 -57.5537 -2.00067 -57.5539 -103.977 -22.6458 -2.00087 -22.646 -277.989 GPRESSURE: 532000 169.622 -92.0176 -34.0519 -31.5014 -83.4331 -31.8704 120.376 -27.4516 -215.307 PRESSAVG: 532000 -10.2926 47.2069 72.9995 47.2069 103.142 -33.3807 72.9995 -33.3808 -89.0376 GPRESSAVG: 532000 -10.0055 45.3732 71.6543 47.2622 103.239 -31.7583 75.3028 -33.7592 -89.6219 TIMING: 532000 CPU: 1596.61, 0.0030243/step Wall: 1596.61, 0.0030243/step, 3.75349 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: 532000 743.0058 2092.3356 1937.3390 103.3817 -206094.4444 17646.4557 0.0000 0.0000 34186.1043 -149385.8223 298.5558 -183571.9266 -149288.7621 299.3453 -72.8248 -43.0394 556991.8504 1.2705 1.2037 PRESSURE: 532200 79.3764 -58.4745 150.889 -58.4736 -87.3563 -127.857 150.89 -127.856 -117.933 GPRESSURE: 532200 117.959 -48.1828 195.862 -45.4766 -18.5674 -118.165 88.9273 -67.4584 -128.097 PRESSAVG: 532200 -49.2922 -50.5453 19.6252 -50.5452 -9.75696 31.6913 19.6252 31.6913 75.1767 GPRESSAVG: 532200 -48.8613 -49.357 19.8861 -50.4475 -8.97595 29.6863 18.7843 31.107 74.1645 TIMING: 532200 CPU: 1597.21, 0.00301931/step Wall: 1597.21, 0.00301931/step, 3.74713 hours remaining, 205.945312 MB of memory in use. ENERGY: 532200 726.3455 2115.0675 1938.6035 118.2504 -206226.6448 17755.7589 0.0000 0.0000 34209.7854 -149362.8335 298.7626 -183572.6189 -149267.0372 298.7649 -41.9708 -9.5685 557308.7478 5.3759 5.4424 LDB: ============= START OF LOAD BALANCING ============== 1600.73 LDB: ============== END OF LOAD BALANCING =============== 1600.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1600.74 LDB: ============= START OF LOAD BALANCING ============== 1601.04 LDB: Largest compute 4800 load 0.033318 is 28.3% of average load 0.117881 LDB: Average compute 0.001731 is 1.5% of average load 0.117881 LDB: TIME 1601.04 LOAD: AVG 0.117881 MAX 0.212603 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.023 MB LDB: TIME 1601.04 LOAD: AVG 0.117881 MAX 0.212603 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.031 MB LDB: TIME 1601.04 LOAD: AVG 0.117881 MAX 0.212603 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.031 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1601.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1601.05 PRESSURE: 532400 235.166 31.2916 -28.791 31.2916 192.676 -112.815 -28.7916 -112.816 42.4372 GPRESSURE: 532400 302.254 -23.9334 32.8206 37.9933 215.138 -99.7572 -17.0037 -155.262 49.018 PRESSAVG: 532400 36.1786 22.1256 15.2412 22.1255 12.1941 -9.91226 15.2413 -9.91219 -24.4392 GPRESSAVG: 532400 36.2253 22.5102 15.9112 21.7654 11.7574 -9.04808 14.6493 -10.8643 -24.6625 TIMING: 532400 CPU: 1597.83, 0.00308043/step Wall: 1597.83, 0.00308043/step, 3.82282 hours remaining, 207.535156 MB of memory in use. ENERGY: 532400 717.7666 2108.2208 1968.6358 116.4322 -206665.6770 18055.8005 0.0000 0.0000 34231.5853 -149467.2358 298.9529 -183698.8211 -149369.2462 299.2076 156.7597 188.8031 557211.6593 7.9778 7.7734 PRESSURE: 532600 -121.787 -44.4495 -61.1446 -44.4494 -34.5227 -50.3943 -61.1442 -50.395 -206.138 GPRESSURE: 532600 -85.8536 -67.1033 -78.0295 -8.05155 2.59939 -28.3889 -7.37269 -6.34352 -188.387 PRESSAVG: 532600 37.9903 64.6245 -7.71734 64.6245 35.6059 -16.2944 -7.71722 -16.2944 -51.4062 GPRESSAVG: 532600 38.0915 63.0412 -6.94207 64.9777 36.3107 -16.2439 -7.79121 -16.2091 -52.507 TIMING: 532600 CPU: 1598.43, 0.0029843/step Wall: 1598.43, 0.0029843/step, 3.70335 hours remaining, 207.738281 MB of memory in use. ENERGY: 532600 735.4072 2066.2695 1959.2165 105.4417 -206716.9152 17962.0806 0.0000 0.0000 34350.4354 -149538.0643 299.9909 -183888.4997 -149444.0959 298.6689 -120.8159 -90.5472 557982.2477 7.3967 7.2984 PRESSURE: 532800 -266.941 -57.8895 66.0257 -57.8895 -252.353 96.9706 66.0253 96.9711 -208.445 GPRESSURE: 532800 -191.243 -99.4766 45.6245 -14.4738 -279.878 154.745 72.5805 157.311 -156.523 PRESSAVG: 532800 15.4098 25.2649 0.116092 25.2649 38.9492 -27.5551 0.116135 -27.5553 -6.46413 GPRESSAVG: 532800 15.5669 23.8274 -1.74053 26.1059 37.9038 -27.9231 0.0786526 -26.6037 -5.06233 TIMING: 532800 CPU: 1599.03, 0.00300804/step Wall: 1599.03, 0.00300804/step, 3.73264 hours remaining, 207.738281 MB of memory in use. ENERGY: 532800 742.8703 2066.1970 1982.1005 112.6015 -206036.4672 17562.3384 0.0000 0.0000 34210.7869 -149359.5727 298.7713 -183570.3596 -149259.9092 298.3707 -242.5799 -209.2145 558740.7617 15.9650 16.1361 PRESSURE: 533000 -155.819 -35.2712 -117.496 -35.2699 -152.298 43.7706 -117.496 43.7703 -7.91296 GPRESSURE: 533000 -102.422 -93.7789 -206.684 -47.8825 -90.3123 6.2865 -76.0768 15.6348 -21.7409 PRESSAVG: 533000 53.4091 -12.3879 3.61507 -12.3879 -38.9689 20.7208 3.61502 20.7209 49.9567 GPRESSAVG: 533000 54.2131 -11.318 4.30906 -13.1829 -38.865 21.8563 4.70101 22.1185 49.3457 TIMING: 533000 CPU: 1599.63, 0.0030027/step Wall: 1599.63, 0.0030027/step, 3.72585 hours remaining, 207.738281 MB of memory in use. ENERGY: 533000 749.0912 2077.6572 1961.0124 117.6659 -206446.1546 17868.5097 0.0000 0.0000 34048.4555 -149623.7627 297.3536 -183672.2183 -149521.6102 298.5107 -105.3434 -71.4919 559852.0116 21.4656 21.5646 PRESSURE: 533200 12.0804 133.477 102.588 133.476 107.791 -64.4896 102.588 -64.4892 -229.666 GPRESSURE: 533200 42.875 150.237 103.739 95.3749 151.23 -49.0104 163.731 -113.855 -199.166 PRESSAVG: 533200 -17.5807 -4.19896 3.83096 -4.19909 6.48895 -2.64487 3.83098 -2.6449 32.0538 GPRESSAVG: 533200 -18.4771 -3.20221 4.77642 -4.91216 6.5191 -3.65007 2.71791 -3.54243 32.9134 TIMING: 533200 CPU: 1600.23, 0.00300037/step Wall: 1600.23, 0.00300037/step, 3.72279 hours remaining, 207.738281 MB of memory in use. ENERGY: 533200 719.4167 2033.5242 1959.6863 96.4032 -206708.1563 18054.7911 0.0000 0.0000 34106.2507 -149738.0839 297.8584 -183844.3347 -149635.9204 297.5664 -36.5984 -1.6869 558718.1384 6.9874 6.9851 PRESSURE: 533400 127.1 38.7582 -74.6945 38.7588 25.4283 -163.476 -74.6953 -163.478 181.449 GPRESSURE: 533400 106.268 -46.5603 -57.1968 88.9582 112.911 -143.641 -90.5413 -118.059 205.696 PRESSAVG: 533400 33.6903 -17.2951 -36.9517 -17.2951 60.3713 33.5783 -36.9517 33.5784 -109.069 GPRESSAVG: 533400 34.2368 -16.9734 -39.3871 -17.3628 61.4607 32.5199 -34.5505 35.2675 -110.98 TIMING: 533400 CPU: 1600.83, 0.00303045/step Wall: 1600.83, 0.00303045/step, 3.75994 hours remaining, 207.738281 MB of memory in use. ENERGY: 533400 750.7874 2069.3790 1964.9208 98.3522 -206587.5998 18091.4909 0.0000 0.0000 33783.5568 -149829.1127 295.0402 -183612.6695 -149746.7275 297.3686 111.3257 141.6251 558276.2576 -5.0024 -5.0942 PRESSURE: 533600 20.3355 275.467 -27.4911 275.468 -72.4983 55.5571 -27.4912 55.5553 -105.118 GPRESSURE: 533600 10.1347 174.554 -52.6514 242.48 -6.86323 50.8338 -54.2581 29.818 -75.7152 PRESSAVG: 533600 22.4277 56.5534 -21.6197 56.5534 -0.793082 -2.2846 -21.6197 -2.28468 -16.7781 GPRESSAVG: 533600 21.9227 57.1044 -18.3014 56.3702 -1.70638 -0.39853 -21.9659 -1.75212 -16.1696 TIMING: 533600 CPU: 1601.44, 0.0030056/step Wall: 1601.44, 0.0030056/step, 3.72895 hours remaining, 207.738281 MB of memory in use. ENERGY: 533600 768.0395 2040.8345 1951.8323 117.5927 -206478.8752 17787.6051 0.0000 0.0000 34162.3444 -149650.6266 298.3483 -183812.9710 -149557.4549 297.1832 -52.4270 -24.1479 556605.8231 1.6188 1.3489 PRESSURE: 533800 229.364 -48.8508 -91.9311 -48.8521 95.4564 84.5922 -91.9311 84.5929 120.896 GPRESSURE: 533800 242.085 -33.6306 4.63576 17.7094 101.931 75.2115 -172.289 100.297 203.234 PRESSAVG: 533800 -13.5835 36.2964 -46.0456 36.2964 5.96867 18.5282 -46.0456 18.5283 50.8319 GPRESSAVG: 533800 -14.1014 33.5854 -48.3639 37.6001 6.14933 18.3309 -47.8066 17.0178 51.0032 TIMING: 533800 CPU: 1602.04, 0.00301415/step Wall: 1602.04, 0.00301415/step, 3.73939 hours remaining, 207.738281 MB of memory in use. ENERGY: 533800 764.0662 2005.6717 1952.4166 106.2496 -206343.6138 17889.4736 0.0000 0.0000 34008.6442 -149617.0920 297.0059 -183625.7361 -149520.5304 297.9398 148.5720 182.4166 555812.1360 14.4057 14.3504 PRESSURE: 534000 -155.144 94.6524 220.655 94.6525 20.1989 -30.3289 220.657 -30.3288 -45.365 GPRESSURE: 534000 -143.48 139.835 250.003 61.5372 63.7295 -33.7296 165.661 -30.4696 -0.132639 PRESSAVG: 534000 56.4356 3.86559 -75.9967 3.86563 -67.6303 -14.5986 -75.9968 -14.5987 -13.471 GPRESSAVG: 534000 56.3183 5.31562 -75.3886 2.19677 -68.2547 -15.1556 -75.0225 -13.9521 -12.8317 TIMING: 534000 CPU: 1602.65, 0.00303638/step Wall: 1602.65, 0.00303638/step, 3.7668 hours remaining, 207.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 534000 774.4405 2082.0238 1935.3720 103.8723 -206500.8043 17882.0287 0.0000 0.0000 34191.0072 -149532.0598 298.5986 -183723.0670 -149440.7887 298.3669 -60.1033 -26.6279 556995.2413 -8.2219 -8.2560 PRESSURE: 534200 -104.271 -66.2733 -136.771 -66.2719 10.1708 -56.1404 -136.77 -56.1402 -49.5334 GPRESSURE: 534200 -15.5341 -113.445 -173.237 -147.17 68.3799 -62.4472 -191.284 -35.0427 -91.4758 PRESSAVG: 534200 9.81989 38.6701 18.8427 38.67 -19.4095 -11.8456 18.8427 -11.8455 -0.743033 GPRESSAVG: 534200 11.009 36.5151 16.4706 40.1315 -19.4591 -11.1948 17.5537 -13.3831 -1.48531 TIMING: 534200 CPU: 1603.25, 0.00303529/step Wall: 1603.25, 0.00303529/step, 3.76528 hours remaining, 207.738281 MB of memory in use. ENERGY: 534200 730.1267 2045.7423 1963.2889 113.4322 -206358.3593 17674.2524 0.0000 0.0000 34188.6710 -149642.8458 298.5782 -183831.5168 -149544.5981 298.4852 -47.8780 -12.8767 556750.1994 -3.4442 -3.3118 PRESSURE: 534400 12.3987 -117.446 -145.336 -117.446 325.307 -116.535 -145.336 -116.535 -263.37 GPRESSURE: 534400 16.5282 -152.197 -125.766 -112.777 330.541 -84.3478 -183.774 -110.981 -181.014 PRESSAVG: 534400 -5.65236 -73.0011 18.6636 -73.0012 0.104335 -32.0832 18.6635 -32.0832 -10.1359 GPRESSAVG: 534400 -6.83166 -72.4764 20.2976 -74.6711 1.3644 -31.9674 19.2911 -30.7568 -10.1448 TIMING: 534400 CPU: 1603.86, 0.00302775/step Wall: 1603.86, 0.00302775/step, 3.75575 hours remaining, 207.738281 MB of memory in use. ENERGY: 534400 739.5790 2046.4782 1978.5533 113.4218 -206718.2318 18027.0600 0.0000 0.0000 34125.5235 -149687.6160 298.0267 -183813.1395 -149590.6553 297.7944 24.7786 55.3519 556497.1935 -5.2280 -5.2040 PRESSURE: 534600 -60.2355 -150.542 34.0251 -150.543 109.306 -35.5523 34.0249 -35.5508 -58.5085 GPRESSURE: 534600 9.48172 -145.587 35.8707 -152.475 93.8192 -82.7324 21.0971 -33.9317 -7.904 PRESSAVG: 534600 23.8532 0.744241 -89.6122 0.744195 2.41252 -63.0567 -89.6122 -63.0566 -6.4884 GPRESSAVG: 534600 24.2331 0.472025 -88.6825 0.491531 2.52372 -62.5298 -89.3813 -64.2142 -7.01547 TIMING: 534600 CPU: 1604.46, 0.00303083/step Wall: 1604.46, 0.00303083/step, 3.7594 hours remaining, 207.738281 MB of memory in use. ENERGY: 534600 740.1444 2009.6322 1998.6853 110.3357 -206757.1241 18063.0424 0.0000 0.0000 34168.4931 -149666.7908 298.4019 -183835.2839 -149569.8421 298.3832 -3.1461 31.7990 557164.8849 6.5924 6.5805 PRESSURE: 534800 -202.875 -16.1376 2.63288 -16.1367 -259.053 -67.7782 2.63303 -67.7791 -158.704 GPRESSURE: 534800 -148.34 -23.39 -36.4578 -31.5429 -243.115 -25.3836 -17.7981 -112.145 -141.435 PRESSAVG: 534800 -35.8742 -12.9361 -23.6313 -12.9362 43.8051 -65.3146 -23.6313 -65.3145 -16.3953 GPRESSAVG: 534800 -35.811 -13.7936 -24.1835 -11.8939 43.8281 -67.4489 -23.6376 -63.5092 -16.5893 TIMING: 534800 CPU: 1605.07, 0.00302/step Wall: 1605.07, 0.00302/step, 3.74581 hours remaining, 207.738281 MB of memory in use. ENERGY: 534800 722.1610 2100.7984 1965.7662 124.5582 -205836.2993 17493.9737 0.0000 0.0000 33714.0760 -149714.9657 294.4334 -183429.0417 -149619.0392 297.9987 -206.8776 -177.6301 558270.3423 -2.8215 -2.8574 PRESSURE: 535000 -5.80667 -11.0095 57.307 -11.0088 14.6579 174.699 57.3063 174.699 3.21982 GPRESSURE: 535000 35.4215 -9.53665 65.6562 67.3151 95.6415 128.217 78.4557 156.626 -20.5955 PRESSAVG: 535000 -0.389 16.6093 -48.2307 16.6092 62.2792 -16.2576 -48.2307 -16.2575 -56.7802 GPRESSAVG: 535000 -0.855254 17.8153 -47.1546 15.2236 62.1093 -15.773 -47.9593 -16.1203 -56.3144 TIMING: 535000 CPU: 1605.67, 0.00301112/step Wall: 1605.67, 0.00301112/step, 3.73462 hours remaining, 207.738281 MB of memory in use. ENERGY: 535000 737.2866 2075.5163 1937.8853 111.4668 -206735.3348 18020.8831 0.0000 0.0000 34234.5243 -149617.7725 298.9786 -183852.2967 -149521.2934 297.6193 4.0237 36.8225 559287.3467 1.7033 1.6465 PRESSURE: 535200 -63.3053 -63.2995 -53.1843 -63.2995 -109.974 22.8881 -53.1844 22.8872 -27.8971 GPRESSURE: 535200 -55.9016 -71.4141 28.0735 -14.2209 -53.4671 -65.3715 -31.8013 69.5418 8.89968 PRESSAVG: 535200 1.22273 -39.6124 20.5619 -39.6124 14.8067 -5.01598 20.5619 -5.01607 4.80339 GPRESSAVG: 535200 1.88311 -40.4228 20.1613 -38.399 14.3837 -6.97481 19.7764 -4.75947 5.18245 TIMING: 535200 CPU: 1606.28, 0.00303231/step Wall: 1606.28, 0.00303231/step, 3.76073 hours remaining, 207.738281 MB of memory in use. ENERGY: 535200 730.2179 2107.9357 1938.7986 114.2512 -206166.7845 17802.2834 0.0000 0.0000 34047.1964 -149426.1013 297.3426 -183473.2977 -149329.4840 298.6501 -67.0589 -33.4897 559536.1087 6.9443 7.1497 PRESSURE: 535400 -236.866 -81.2396 -31.3354 -81.2404 116.358 59.6755 -31.3353 59.6756 -280.088 GPRESSURE: 535400 -213.172 -94.4999 34.5718 -68.6919 140.642 71.6924 -11.5617 15.7885 -227.621 PRESSAVG: 535400 -8.61642 -12.808 5.09319 -12.8082 31.2972 -14.4025 5.09326 -14.4025 -17.7414 GPRESSAVG: 535400 -8.85253 -12.972 5.53216 -10.806 31.817 -11.8074 5.41395 -15.9858 -18.1313 TIMING: 535400 CPU: 1606.88, 0.00302205/step Wall: 1606.88, 0.00302205/step, 3.74785 hours remaining, 207.738281 MB of memory in use. ENERGY: 535400 773.0235 2053.4170 1956.5106 113.4476 -206273.7069 17702.9761 0.0000 0.0000 34225.4283 -149448.9038 298.8992 -183674.3321 -149353.0056 299.3759 -133.5321 -100.0502 557379.3109 1.6464 1.6111 PRESSURE: 535600 -69.7357 20.459 58.7962 20.4584 -290.082 24.2339 58.7971 24.2342 20.3324 GPRESSURE: 535600 -71.7773 93.5658 22.0397 -55.1852 -246.797 -10.4468 86.7096 -102.625 87.837 PRESSAVG: 535600 16.8494 47.4252 -40.9407 47.4252 -0.520482 9.3942 -40.9407 9.39414 -17.0091 GPRESSAVG: 535600 16.9685 46.7507 -40.4288 46.4411 -1.49553 9.48162 -40.3329 9.86394 -16.2485 TIMING: 535600 CPU: 1607.48, 0.00301602/step Wall: 1607.48, 0.00301602/step, 3.7402 hours remaining, 207.738281 MB of memory in use. ENERGY: 535600 759.4931 2070.9056 1943.3015 118.7789 -206291.1975 17814.9099 0.0000 0.0000 34374.4690 -149209.3394 300.2008 -183583.8084 -149119.7162 299.0380 -113.1616 -76.9124 557342.3819 -0.2268 -0.2585 PRESSURE: 535800 -89.847 -30.7287 52.364 -30.7294 -44.2278 -13.0411 52.365 -13.0414 152.604 GPRESSURE: 535800 -69.7499 23.7869 106.519 -117.804 0.0204573 59.2439 44.8778 -57.9267 189.648 PRESSAVG: 535800 -5.46329 -8.01199 28.8405 -8.0121 -28.9886 -13.9643 28.8405 -13.9642 27.1344 GPRESSAVG: 535800 -5.66356 -7.49797 27.9132 -10.038 -29.3483 -13.1887 29.493 -14.4392 28.0341 TIMING: 535800 CPU: 1608.09, 0.00301572/step Wall: 1608.09, 0.00301572/step, 3.73966 hours remaining, 207.738281 MB of memory in use. ENERGY: 535800 744.2235 2044.0009 1946.7777 112.4426 -205957.7775 17749.7488 0.0000 0.0000 34326.1731 -149034.4109 299.7790 -183360.5841 -148934.6353 300.0344 6.1763 39.9728 557372.8201 -2.4392 -2.3259 PRESSURE: 536000 -192.937 114.961 48.0393 114.96 143.016 -127.914 48.0373 -127.914 95.2948 GPRESSURE: 536000 -155.779 68.9314 103.162 16.192 206.037 -61.1669 -21.1125 -107.464 90.3653 PRESSAVG: 536000 -40.0165 -26.4301 -6.32629 -26.4301 -20.301 9.5714 -6.32633 9.57133 50.2716 GPRESSAVG: 536000 -40.0406 -26.8141 -5.5115 -28.0054 -19.448 8.8065 -8.51384 10.1211 49.603 TIMING: 536000 CPU: 1608.69, 0.00300571/step Wall: 1608.69, 0.00300571/step, 3.72708 hours remaining, 207.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 536000 724.5723 2055.0551 1957.0124 115.5308 -205879.7102 17725.4889 0.0000 0.0000 34214.6980 -149087.3528 298.8055 -183302.0507 -148992.1972 299.5604 15.1246 46.8745 556703.3731 -3.3486 -3.2952 PRESSURE: 536200 201.661 -112.048 131.838 -112.049 -11.2621 -122.229 131.837 -122.23 81.1955 GPRESSURE: 536200 283.802 -188.02 63.9078 -45.0758 -21.4802 -73.1773 120.628 -94.692 94.9156 PRESSAVG: 536200 24.0512 -77.4739 34.0294 -77.4738 -22.2054 -5.08351 34.0294 -5.08339 -11.7738 GPRESSAVG: 536200 23.1914 -76.2229 34.2978 -75.8535 -21.3085 -5.4173 35.0489 -5.66992 -11.6059 TIMING: 536200 CPU: 1609.29, 0.00301903/step Wall: 1609.29, 0.00301903/step, 3.74343 hours remaining, 207.738281 MB of memory in use. ENERGY: 536200 754.7648 2025.0702 1918.7366 112.4138 -206086.2167 17906.5346 0.0000 0.0000 34369.7760 -148998.9207 300.1598 -183368.6967 -148900.8425 299.6492 90.5314 119.0791 556955.0058 -3.3093 -3.2410 LDB: ============= START OF LOAD BALANCING ============== 1612.81 LDB: ============== END OF LOAD BALANCING =============== 1612.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1612.81 LDB: ============= START OF LOAD BALANCING ============== 1613.12 LDB: Largest compute 4800 load 0.032608 is 27.7% of average load 0.117893 LDB: Average compute 0.001728 is 1.5% of average load 0.117893 LDB: TIME 1613.12 LOAD: AVG 0.117893 MAX 0.209822 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.852 MB LDB: TIME 1613.12 LOAD: AVG 0.117893 MAX 0.209822 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.852 MB LDB: TIME 1613.12 LOAD: AVG 0.117893 MAX 0.209822 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.852 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1613.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1613.12 PRESSURE: 536400 395.171 -16.0505 51.657 -16.0508 -34.0258 -6.19424 51.6573 -6.19328 -349.821 GPRESSURE: 536400 378.893 39.8139 90.2265 -10.0742 14.7237 -79.3794 -70.995 9.18299 -286.113 PRESSAVG: 536400 23.7326 -54.8021 24.6608 -54.8021 31.171 8.66962 24.6609 8.66961 -31.1346 GPRESSAVG: 536400 24.6879 -54.0591 23.8343 -56.1947 30.1626 7.39121 23.7262 9.00009 -31.1264 TIMING: 536400 CPU: 1609.91, 0.00307587/step Wall: 1609.91, 0.00307587/step, 3.81374 hours remaining, 207.789062 MB of memory in use. ENERGY: 536400 724.6424 2104.5267 1959.6814 111.3201 -205995.6137 17770.3170 0.0000 0.0000 34330.2977 -148994.8284 299.8150 -183325.1261 -148907.2120 300.2444 3.7746 35.8344 559005.8772 7.9230 7.9080 PRESSURE: 536600 146.327 176.209 10.3874 176.208 -5.2214 -69.0113 10.3872 -69.0122 -30.8253 GPRESSURE: 536600 172.767 140.292 -19.6163 86.3376 33.249 -140.787 88.2295 -116.502 -3.9233 PRESSAVG: 536600 -16.9464 -23.8507 2.8897 -23.8506 8.29813 27.0523 2.88973 27.0523 -22.8538 GPRESSAVG: 536600 -17.0872 -26.8813 1.40961 -22.4175 8.42755 28.2284 4.25876 26.5116 -22.9099 TIMING: 536600 CPU: 1610.51, 0.00299539/step Wall: 1610.51, 0.00299539/step, 3.71379 hours remaining, 207.789062 MB of memory in use. ENERGY: 536600 736.2126 2084.8956 1954.8080 122.6672 -206293.0090 17970.2586 0.0000 0.0000 34294.7315 -149129.4355 299.5044 -183424.1670 -149038.2832 299.4679 36.7601 67.3643 558025.3264 -10.5007 -10.5232 PRESSURE: 536800 -216.947 -3.44101 -147.757 -3.44166 -4.81961 0.281614 -147.758 0.277843 -144.89 GPRESSURE: 536800 -110.095 69.3056 -89.8856 -95.4491 -65.0761 -44.2929 -223.837 0.541052 -108.99 PRESSAVG: 536800 -5.60624 -28.2968 -24.1926 -28.2968 43.3552 -0.391972 -24.1927 -0.392042 -16.9609 GPRESSAVG: 536800 -4.03057 -25.2964 -24.145 -29.5096 42.6767 0.22095 -25.4831 0.308769 -17.2864 TIMING: 536800 CPU: 1611.1, 0.00298009/step Wall: 1611.1, 0.00298009/step, 3.69465 hours remaining, 207.789062 MB of memory in use. ENERGY: 536800 740.9432 2133.4461 1943.2940 93.9475 -206290.4557 17671.6278 0.0000 0.0000 34354.2412 -149352.9560 300.0241 -183707.1972 -149256.0790 299.8859 -122.2190 -94.7202 558905.5786 6.9294 7.1199 PRESSURE: 537000 -134.804 86.4762 -35.7106 86.4768 -400.714 -21.084 -35.7102 -21.0841 -242.183 GPRESSURE: 537000 -76.2581 -43.8918 -30.6843 130.638 -379.48 -40.6168 -14.2992 58.081 -223.295 PRESSAVG: 537000 35.2633 35.719 -42.9994 35.7191 7.93932 -5.14805 -42.9993 -5.14798 -11.2539 GPRESSAVG: 537000 33.4059 33.5213 -41.0412 39.6419 8.36142 -5.6776 -43.0018 -7.06057 -10.1955 TIMING: 537000 CPU: 1611.7, 0.00298234/step Wall: 1611.7, 0.00298234/step, 3.69727 hours remaining, 207.789062 MB of memory in use. ENERGY: 537000 780.0623 2068.3076 1957.9748 102.6995 -205996.2123 17669.1069 0.0000 0.0000 34132.7321 -149285.3292 298.0896 -183418.0613 -149189.9992 298.7327 -259.2337 -226.3443 558823.8951 10.6496 10.5240 PRESSURE: 537200 -149.952 27.5187 53.0637 27.5188 16.2126 32.5238 53.0642 32.5256 -3.58087 GPRESSURE: 537200 -98.4474 -61.9462 9.81303 35.7639 52.8858 25.1038 21.6679 8.94741 2.24692 PRESSAVG: 537200 -13.8485 7.11645 -24.2739 7.11643 6.30427 -16.9333 -24.2739 -16.9334 53.7 GPRESSAVG: 537200 -12.5311 8.82407 -25.8485 4.85102 5.50668 -16.375 -22.0321 -15.6539 53.2409 TIMING: 537200 CPU: 1612.3, 0.00298163/step Wall: 1612.3, 0.00298163/step, 3.69623 hours remaining, 207.789062 MB of memory in use. ENERGY: 537200 751.8435 2117.5781 1944.2175 104.8717 -206187.2599 17735.1676 0.0000 0.0000 34068.6654 -149464.9161 297.5301 -183533.5815 -149363.9825 298.6203 -45.7733 -14.4382 558248.6627 15.3853 15.4055 PRESSURE: 537400 265.481 -9.94451 -0.0826687 -9.94372 -104.307 41.2085 -0.0829573 41.2103 89.1054 GPRESSURE: 537400 244.606 37.1575 19.0918 24.2163 -26.4719 -38.5523 2.77175 67.1201 115.354 PRESSAVG: 537400 2.46204 -15.9048 0.95216 -15.9047 39.9071 -6.52864 0.952194 -6.52852 -2.8406 GPRESSAVG: 537400 2.43193 -15.9793 2.08669 -14.3962 40.1315 -7.04308 -0.0713764 -6.55567 -3.52304 TIMING: 537400 CPU: 1612.9, 0.00301665/step Wall: 1612.9, 0.00301665/step, 3.73947 hours remaining, 208.046875 MB of memory in use. ENERGY: 537400 735.8583 2056.4842 1969.0971 111.5745 -206544.8747 18088.0617 0.0000 0.0000 34354.6665 -149229.1325 300.0278 -183583.7989 -149134.6765 299.0510 83.4263 111.1627 557827.6178 13.1762 13.0135 PRESSURE: 537600 -239.318 14.4631 160.715 14.4637 24.7034 117.162 160.716 117.162 -15.1657 GPRESSURE: 537600 -213.985 -38.0055 206.83 22.3665 44.3864 77.3506 110.353 172.264 34.9265 PRESSAVG: 537600 17.158 10.466 29.4682 10.466 -6.39592 -11.0077 29.4683 -11.0076 -1.93324 GPRESSAVG: 537600 16.8546 9.4282 29.098 10.1434 -6.98936 -12.6461 30.1167 -10.9027 -0.885806 TIMING: 537600 CPU: 1613.51, 0.00303572/step Wall: 1613.51, 0.00303572/step, 3.76294 hours remaining, 208.046875 MB of memory in use. ENERGY: 537600 761.1880 2053.7428 1966.9401 106.8701 -206331.8928 17839.4863 0.0000 0.0000 34362.4369 -149241.2287 300.0957 -183603.6656 -149137.4802 299.4364 -76.5934 -44.8906 558810.3377 2.9429 2.9932 PRESSURE: 537800 -109.489 -15.6207 96.3778 -15.6209 152.92 -1.84979 96.3787 -1.84929 196.623 GPRESSURE: 537800 -47.9603 -61.077 67.9604 -32.508 181.626 -55.4536 120.798 -74.8778 201.851 PRESSAVG: 537800 1.92375 36.9888 37.4875 36.9888 0.797663 6.08799 37.4874 6.088 4.07082 GPRESSAVG: 537800 1.31494 38.5704 38.4654 36.2122 1.7605 8.10583 37.3225 4.84286 3.82255 TIMING: 537800 CPU: 1614.11, 0.00300937/step Wall: 1614.11, 0.00300937/step, 3.73012 hours remaining, 208.046875 MB of memory in use. ENERGY: 537800 737.8129 2122.9078 1920.4353 105.8120 -206407.9728 17892.1451 0.0000 0.0000 34314.1473 -149314.7124 299.6740 -183628.8597 -149220.9148 299.0796 80.0182 111.8387 557108.2926 2.2641 2.2993 PRESSURE: 538000 -132.907 69.3845 139.094 69.3841 -114.486 -35.7341 139.094 -35.7328 57.2276 GPRESSURE: 538000 -101.913 62.433 100.858 79.6053 -45.6037 -7.22391 139.676 -65.8241 64.2128 PRESSAVG: 538000 -10.8929 49.6232 15.5625 49.6231 -48.4221 16.0537 15.5624 16.0536 74.9728 GPRESSAVG: 538000 -11.164 49.1787 14.7835 49.1414 -47.9945 16.0717 14.54 16.8343 74.8406 TIMING: 538000 CPU: 1614.71, 0.00300438/step Wall: 1614.71, 0.00300438/step, 3.72376 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: 538000 735.6164 2095.2808 1967.8380 117.2904 -206238.7889 17758.4419 0.0000 0.0000 34270.0675 -149294.2539 299.2890 -183564.3213 -149196.1568 299.0064 -63.3886 -27.7680 558396.6674 5.2193 5.2273 PRESSURE: 538200 230.878 118.538 67.269 118.538 -302.816 -33.4268 67.2701 -33.4259 -146.701 GPRESSURE: 538200 219.932 133.04 155.181 17.4181 -253.375 17.5733 53.1784 -45.2462 -86.1363 PRESSAVG: 538200 7.35388 38.6803 33.02 38.6803 -86.3733 35.4968 33.02 35.4968 100.083 GPRESSAVG: 538200 7.10439 39.5946 31.4352 39.6996 -85.7184 35.5333 33.5226 36.1121 99.9015 TIMING: 538200 CPU: 1615.31, 0.00299379/step Wall: 1615.31, 0.00299379/step, 3.71047 hours remaining, 208.046875 MB of memory in use. ENERGY: 538200 774.6243 2064.6151 1951.1440 104.2337 -206234.7871 17763.9940 0.0000 0.0000 34290.1534 -149286.0226 299.4644 -183576.1760 -149187.8422 298.3813 -72.8798 -39.8600 557333.9457 7.0213 7.0958 PRESSURE: 538400 131.534 76.6645 -27.2312 76.6642 -72.0992 -61.1531 -27.2308 -61.1547 37.7559 GPRESSURE: 538400 211.295 197.659 -18.7662 13.8165 -69.9561 -115.565 -15.3968 0.512678 54.9205 PRESSAVG: 538400 32.1428 17.0738 46.0136 17.0738 -52.6193 3.54725 46.0135 3.54737 43.7218 GPRESSAVG: 538400 32.4175 15.9201 46.1987 16.78 -53.8944 3.41112 45.5816 3.16514 44.331 TIMING: 538400 CPU: 1615.91, 0.00299979/step Wall: 1615.91, 0.00299979/step, 3.71775 hours remaining, 208.046875 MB of memory in use. ENERGY: 538400 746.6500 2096.9746 1961.7714 113.6848 -206228.0556 17860.0005 0.0000 0.0000 34351.3994 -149097.5749 299.9993 -183448.9743 -149004.0707 298.6122 32.3968 65.4198 558521.5580 7.7484 7.6181 PRESSURE: 538600 -162.477 -119.51 -27.8077 -119.509 15.8196 60.5373 -27.8073 60.5354 -291.92 GPRESSURE: 538600 -124.597 -207.572 -48.717 -53.7223 -31.6199 95.1782 -17.2317 66.9503 -187.206 PRESSAVG: 538600 20.3003 -3.0293 6.31311 -3.02922 -67.1379 34.2707 6.31317 34.2707 29.3967 GPRESSAVG: 538600 20.9027 -2.91017 5.88682 -4.22124 -67.9346 34.296 8.15315 33.2426 30.3502 TIMING: 538600 CPU: 1616.51, 0.00301335/step Wall: 1616.51, 0.00301335/step, 3.73437 hours remaining, 208.046875 MB of memory in use. ENERGY: 538600 751.8151 2050.3166 1934.4767 116.0076 -205854.3523 17610.7005 0.0000 0.0000 34218.9082 -149172.1276 298.8422 -183391.0358 -149075.4115 298.9858 -146.1926 -114.4745 559014.7325 -5.8137 -5.5605 PRESSURE: 538800 -9.70261 -173.567 85.9421 -173.568 -189.237 32.2502 85.943 32.2503 2.48369 GPRESSURE: 538800 14.4138 -97.7517 106.059 -187.294 -166.217 -29.2738 38.0684 -16.9968 37.9206 PRESSAVG: 538800 -35.4047 -67.5583 56.8738 -67.5582 -77.0829 7.52225 56.8738 7.52227 82.0126 GPRESSAVG: 538800 -35.5271 -66.6757 56.9167 -67.6531 -76.94 8.14661 55.2004 7.88783 81.2742 TIMING: 538800 CPU: 1617.11, 0.00300785/step Wall: 1617.11, 0.00300785/step, 3.7274 hours remaining, 208.046875 MB of memory in use. ENERGY: 538800 735.4869 2078.1167 1943.5595 115.2006 -205952.6803 17669.9798 0.0000 0.0000 34169.0377 -149241.2991 298.4067 -183410.3368 -149140.8309 298.7380 -65.4854 -37.9607 559077.3248 -10.1583 -10.3976 PRESSURE: 539000 -318.212 120.861 -110.528 120.861 -226.731 -104.846 -110.527 -104.846 54.2876 GPRESSURE: 539000 -291.282 75.6968 -125.354 109.285 -120.934 -33.1977 -122.806 -128.678 22.5827 PRESSAVG: 539000 24.0249 -81.1557 -21.92 -81.1556 -48.9211 -0.655132 -21.9199 -0.655132 37.8414 GPRESSAVG: 539000 22.9594 -81.3544 -22.5897 -80.4129 -48.1307 -0.695502 -20.3248 -0.888091 37.8458 TIMING: 539000 CPU: 1617.71, 0.00299986/step Wall: 1617.71, 0.00299986/step, 3.71733 hours remaining, 208.046875 MB of memory in use. ENERGY: 539000 782.8256 2130.1321 1954.8509 110.7328 -205630.2704 17439.2095 0.0000 0.0000 34064.5401 -149147.9793 297.4941 -183212.5193 -149054.2889 298.8210 -163.5518 -129.8777 559557.7753 4.3151 4.2248 PRESSURE: 539200 -32.2018 190.43 31.0899 190.432 82.0759 -62.0774 31.0902 -62.0798 133.884 GPRESSURE: 539200 59.447 179.437 75.078 140.702 99.7025 -62.8795 86.599 -35.8191 130.522 PRESSAVG: 539200 16.3979 -23.0637 37.432 -23.0638 -12.6178 -28.6475 37.4319 -28.6476 -11.7615 GPRESSAVG: 539200 18.2854 -22.3021 39.6333 -21.9666 -13.0618 -27.3707 36.4564 -28.0462 -13.237 TIMING: 539200 CPU: 1618.31, 0.00300055/step Wall: 1618.31, 0.00300055/step, 3.71801 hours remaining, 208.046875 MB of memory in use. ENERGY: 539200 734.1718 2167.2556 1958.0966 108.3504 -206056.1874 17835.1862 0.0000 0.0000 34164.0721 -149089.0546 298.3633 -183253.1268 -148994.9537 299.0403 61.2527 96.5573 558430.3099 -2.6605 -2.6711 PRESSURE: 539400 72.4696 -52.6299 -102.754 -52.6305 -324.567 9.01281 -102.754 9.01421 -221.049 GPRESSURE: 539400 40.2833 -57.2649 -114.352 -85.6768 -281.759 20.8113 -68.452 -25.8114 -128.281 PRESSAVG: 539400 33.2151 -13.3022 15.6314 -13.3023 -34.6076 -51.0894 15.6315 -51.0895 35.3085 GPRESSAVG: 539400 32.6174 -13.3896 14.6535 -13.7781 -34.8395 -52.7385 16.183 -50.3201 36.173 TIMING: 539400 CPU: 1618.91, 0.00300281/step Wall: 1618.91, 0.00300281/step, 3.72065 hours remaining, 208.046875 MB of memory in use. ENERGY: 539400 743.5022 2062.0807 1954.5225 111.6219 -205800.0500 17605.8819 0.0000 0.0000 34346.6801 -148975.7608 299.9581 -183322.4409 -148879.5108 300.3880 -157.7155 -123.2522 558488.3164 11.3053 11.3170 PRESSURE: 539600 -245.629 57.1044 110.033 57.1031 160.138 16.2353 110.032 16.2354 113.284 GPRESSURE: 539600 -192.149 69.3162 173.873 76.1135 147.301 64.8982 92.1729 -44.0861 176.927 PRESSAVG: 539600 -32.1983 44.8576 -13.2764 44.8577 35.217 -20.4161 -13.2764 -20.4161 3.77516 GPRESSAVG: 539600 -32.5407 44.511 -12.3053 45.2847 35.3066 -20.576 -13.9318 -22.6408 3.93279 TIMING: 539600 CPU: 1619.51, 0.00300279/step Wall: 1619.51, 0.00300279/step, 3.72045 hours remaining, 208.046875 MB of memory in use. ENERGY: 539600 748.0793 2092.3873 1922.6526 110.4967 -205914.5500 17807.1599 0.0000 0.0000 34261.1149 -148972.6592 299.2108 -183233.7742 -148866.4201 299.9342 9.2644 44.0265 558388.6601 2.2647 2.2329 PRESSURE: 539800 -14.0971 -12.0098 -34.8724 -12.0099 214.161 -107.787 -34.8726 -107.788 -58.106 GPRESSURE: 539800 74.9436 18.3883 -111.62 -111.392 222.77 -70.1249 -102.723 -91.9236 -51.8961 PRESSAVG: 539800 21.2374 8.52208 58.9494 8.52218 22.2731 -16.4528 58.9493 -16.4529 -63.9541 GPRESSAVG: 539800 21.1305 8.85114 57.9224 8.45252 23.307 -16.8823 61.2492 -15.5397 -64.5323 TIMING: 539800 CPU: 1620.11, 0.0030006/step Wall: 1620.11, 0.0030006/step, 3.71757 hours remaining, 208.046875 MB of memory in use. ENERGY: 539800 752.0908 2115.4120 1940.4405 113.5380 -206287.6848 18014.9806 0.0000 0.0000 34226.2582 -149124.9648 298.9064 -183351.2230 -149037.7072 299.7602 47.3194 81.9392 558085.4819 -6.8145 -6.6983 PRESSURE: 540000 -49.4339 -215.525 -325.752 -215.524 -5.74233 -64.083 -325.753 -64.0827 -49.6609 GPRESSURE: 540000 6.17852 -137.436 -318.419 -285.944 21.4699 -45.1809 -279.024 -105.028 -38.8963 PRESSAVG: 540000 22.6054 -31.6166 -23.9095 -31.6166 33.7385 -55.7219 -23.9095 -55.722 -23.416 GPRESSAVG: 540000 22.9968 -30.9328 -23.2276 -33.258 33.0427 -55.1402 -26.6152 -54.8063 -23.2934 TIMING: 540000 CPU: 1620.71, 0.00297029/step Wall: 1620.71, 0.00297029/step, 3.67986 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: 540000 729.1880 2083.3507 1935.4287 120.7248 -205898.2834 17583.0300 0.0000 0.0000 34197.0898 -149249.4715 298.6517 -183446.5613 -149153.1202 298.7672 -34.9457 -3.7493 558607.4102 10.9759 10.9154 PRESSURE: 540200 141.263 -18.5783 -130.557 -18.5765 -91.989 -4.9496 -130.558 -4.951 6.0716 GPRESSURE: 540200 123.098 -78.3301 -94.6231 -50.1732 -20.9803 -73.6921 -187.423 98.4346 47.1392 PRESSAVG: 540200 76.5301 39.4024 -30.3394 39.4024 -34.53 -47.2328 -30.3394 -47.2327 -32.3984 GPRESSAVG: 540200 75.6289 38.5442 -30.0015 40.4815 -34.9232 -48.8555 -31.6421 -47.2435 -31.5106 TIMING: 540200 CPU: 1621.3, 0.00297457/step Wall: 1621.3, 0.00297457/step, 3.685 hours remaining, 208.046875 MB of memory in use. ENERGY: 540200 774.4463 2136.2064 1902.9370 108.4191 -206144.3383 17765.9375 0.0000 0.0000 34296.2089 -149160.1830 299.5173 -183456.3920 -149067.7124 299.7623 18.4486 49.7522 556793.9555 3.2006 3.0650 LDB: ============= START OF LOAD BALANCING ============== 1624.82 LDB: ============== END OF LOAD BALANCING =============== 1624.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1624.82 LDB: ============= START OF LOAD BALANCING ============== 1625.12 LDB: Largest compute 4800 load 0.031962 is 27.1% of average load 0.117827 LDB: Average compute 0.001738 is 1.5% of average load 0.117827 LDB: TIME 1625.12 LOAD: AVG 0.117827 MAX 0.212032 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.691 MB LDB: TIME 1625.12 LOAD: AVG 0.117827 MAX 0.212032 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.691 MB LDB: TIME 1625.12 LOAD: AVG 0.117827 MAX 0.212032 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.691 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1625.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1625.13 PRESSURE: 540400 8.81797 43.8573 3.51186 43.8576 25.8331 -208.509 3.51302 -208.509 -57.1747 GPRESSURE: 540400 45.7273 39.021 4.42643 84.2018 56.1122 -278.302 54.1057 -236.116 -30.8922 PRESSAVG: 540400 76.1474 32.5277 -26.6881 32.5277 2.53823 -2.63107 -26.6881 -2.63114 -59.4121 GPRESSAVG: 540400 75.777 30.766 -26.2148 33.999 3.40675 -0.451954 -25.5591 -4.42406 -59.6614 TIMING: 540400 CPU: 1621.91, 0.00304924/step Wall: 1621.91, 0.00304924/step, 3.77733 hours remaining, 207.273438 MB of memory in use. ENERGY: 540400 734.3014 2123.3798 1922.8340 108.7003 -206126.4739 17618.1368 0.0000 0.0000 34378.0582 -149241.0635 300.2321 -183619.1216 -149142.1693 300.1498 -7.5079 23.6491 557034.2974 6.4245 6.5075 PRESSURE: 540600 452.66 80.8298 169.221 80.8296 282.555 48.6347 169.221 48.634 112.193 GPRESSURE: 540600 402.619 108.025 176.702 81.2363 331.141 88.602 117.828 -39.904 211.966 PRESSAVG: 540600 25.416 -18.2763 29.8408 -18.2763 22.9494 10.4477 29.8409 10.4477 -8.06373 GPRESSAVG: 540600 25.9337 -16.9298 27.3793 -18.9011 22.5118 12.6619 30.5758 10.1144 -8.01215 TIMING: 540600 CPU: 1622.51, 0.00299901/step Wall: 1622.51, 0.00299901/step, 3.71494 hours remaining, 207.285156 MB of memory in use. ENERGY: 540600 758.8457 2126.4281 1921.1391 110.0900 -206544.4560 18162.5067 0.0000 0.0000 34305.6532 -149159.7932 299.5998 -183465.4465 -149064.1712 299.5245 282.4693 315.2420 555938.7568 13.4339 13.4778 PRESSURE: 540800 -275.353 -55.7425 93.1363 -55.7434 258.115 -111.999 93.1364 -111.999 -290.105 GPRESSURE: 540800 -255.68 -119.054 55.2457 49.85 249.382 -88.2132 66.5125 -27.5851 -214.071 PRESSAVG: 540800 52.0526 -23.1478 -24.5695 -23.1478 -30.5364 32.3234 -24.5694 32.3234 -56.4682 GPRESSAVG: 540800 51.6919 -24.0373 -22.4697 -24.1326 -30.5624 29.4774 -25.0317 34.3241 -57.0136 TIMING: 540800 CPU: 1623.11, 0.00300254/step Wall: 1623.11, 0.00300254/step, 3.71914 hours remaining, 207.285156 MB of memory in use. ENERGY: 540800 734.7421 2064.9971 1942.2527 104.4415 -205998.0282 17655.3858 0.0000 0.0000 34263.4912 -149232.7177 299.2316 -183496.2089 -149135.8190 298.6183 -102.4478 -73.4563 558627.1530 -11.6507 -11.9614 PRESSURE: 541000 267.708 -76.7259 45.3753 -76.7262 161.075 -102.478 45.3752 -102.479 90.6571 GPRESSURE: 541000 324.233 19.3272 81.2539 -138.544 220.695 -128.32 34.8967 -72.9896 80.2186 PRESSAVG: 541000 123.483 -23.7925 28.4533 -23.7924 -52.9172 -5.06675 28.4532 -5.06673 -41.5616 GPRESSAVG: 541000 123.761 -20.9002 26.3549 -22.6219 -53.2078 -5.67546 28.5222 -5.25428 -41.697 TIMING: 541000 CPU: 1623.71, 0.0029991/step Wall: 1623.71, 0.0029991/step, 3.71472 hours remaining, 207.285156 MB of memory in use. ENERGY: 541000 768.3568 2070.1603 1963.4739 105.9822 -206616.9637 18186.0779 0.0000 0.0000 34277.1001 -149245.8124 299.3504 -183522.9125 -149150.3298 298.9796 173.1466 208.3820 556383.3135 9.6680 9.6186 PRESSURE: 541200 -81.6321 48.7197 132.778 48.7209 180.072 128.905 132.778 128.904 -17.9469 GPRESSURE: 541200 -62.7548 -27.075 229.256 95.1544 194.692 100.757 67.395 178.268 45.4614 PRESSAVG: 541200 -60.0657 43.0245 14.9612 43.0245 49.744 45.474 14.9613 45.474 34.3173 GPRESSAVG: 541200 -59.8169 41.6341 17.6662 42.8882 48.6917 45.1251 14.4662 47.1332 35.0508 TIMING: 541200 CPU: 1624.31, 0.00299684/step Wall: 1624.31, 0.00299684/step, 3.71176 hours remaining, 207.285156 MB of memory in use. ENERGY: 541200 739.4987 2097.6163 1935.3220 114.6383 -206230.1493 17835.3543 0.0000 0.0000 34095.5687 -149412.1510 297.7651 -183507.7197 -149311.8686 299.7430 26.8309 59.1327 556626.2277 7.9985 7.9752 PRESSURE: 541400 100.054 -85.0465 198.796 -85.0462 21.4336 37.1575 198.796 37.1588 178.703 GPRESSURE: 541400 148.653 36.5617 200.75 -37.7251 41.9749 61.2824 216.889 39.2379 210.885 PRESSAVG: 541400 32.4101 30.9492 16.1072 30.9493 -55.427 44.4259 16.1071 44.4259 -3.91097 GPRESSAVG: 541400 31.421 31.5958 15.4302 30.8513 -54.5243 45.5133 13.8383 42.6296 -3.69957 TIMING: 541400 CPU: 1624.91, 0.00297804/step Wall: 1624.91, 0.00297804/step, 3.6883 hours remaining, 207.285156 MB of memory in use. ENERGY: 541400 737.6882 2109.0806 1953.8470 101.8801 -206402.6964 17914.5791 0.0000 0.0000 34190.8171 -149394.8043 298.5969 -183585.6214 -149298.0024 298.7821 100.0633 133.8376 556408.6505 -8.9760 -8.9343 PRESSURE: 541600 13.8887 73.4868 -118.269 73.4867 -65.3752 156.713 -118.27 156.715 360.118 GPRESSURE: 541600 36.6588 100.334 -222.477 28.7387 -19.8207 246.137 -129.297 37.4107 381.354 PRESSAVG: 541600 8.81247 0.892079 -14.2615 0.892062 -37.3254 42.3544 -14.2614 42.3545 58.1164 GPRESSAVG: 541600 9.79358 0.183803 -15.3051 0.0394721 -37.6917 42.2725 -11.2465 43.5927 57.7951 TIMING: 541600 CPU: 1625.5, 0.00298225/step Wall: 1625.5, 0.00298225/step, 3.69335 hours remaining, 207.285156 MB of memory in use. ENERGY: 541600 707.0431 2085.1373 1953.5651 114.3786 -206053.2517 17912.2202 0.0000 0.0000 34096.5957 -149184.3116 297.7741 -183280.9074 -149091.2191 298.7919 102.8771 132.7307 556985.1043 9.8678 9.9657 PRESSURE: 541800 -29.9358 -110.119 -136.19 -110.12 -127.289 -119.032 -136.19 -119.033 182.424 GPRESSURE: 541800 52.6566 -137.835 -209.12 -39.4403 -66.0303 -163.506 -98.2979 -60.8474 133.373 PRESSAVG: 541800 -34.0451 -15.9205 -55.6875 -15.9205 -34.2708 2.51237 -55.6875 2.51227 50.4522 GPRESSAVG: 541800 -33.0504 -14.7717 -54.14 -16.9494 -35.3962 2.75694 -56.4762 0.878222 50.0695 TIMING: 541800 CPU: 1626.1, 0.00299274/step Wall: 1626.1, 0.00299274/step, 3.70617 hours remaining, 207.285156 MB of memory in use. ENERGY: 541800 738.4048 2088.3695 1955.1151 127.0694 -206180.6838 17862.2454 0.0000 0.0000 34186.2323 -149223.2472 298.5569 -183409.4796 -149130.8141 299.5059 8.3999 39.9996 558342.7058 -5.9545 -6.1257 PRESSURE: 542000 9.05364 84.577 -174.328 84.5774 -15.9874 -68.4978 -174.327 -68.4988 -25.9908 GPRESSURE: 542000 22.5267 11.3816 -171.881 -0.572377 29.4983 -61.583 -224.758 -42.8629 10.1771 PRESSAVG: 542000 12.939 -70.7868 -43.621 -70.7867 -13.8165 6.4088 -43.621 6.4088 22.8094 GPRESSAVG: 542000 13.548 -74.5804 -43.3023 -69.6278 -15.1631 5.23727 -43.1381 8.34737 23.4259 TIMING: 542000 CPU: 1626.7, 0.00298104/step Wall: 1626.7, 0.00298104/step, 3.69152 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: 542000 771.4841 2041.1798 1930.1445 123.9447 -205995.0779 17803.2697 0.0000 0.0000 34284.2581 -149040.7969 299.4130 -183325.0549 -148949.3539 299.0224 -10.9748 20.7340 558680.0912 7.3107 7.2703 PRESSURE: 542200 -7.13308 -38.0428 -52.3548 -38.0434 -29.6527 54.2304 -52.3541 54.2293 -2.55181 GPRESSURE: 542200 -10.576 -12.6135 -102.463 -30.4549 -1.71839 65.3159 -43.6383 -27.5053 73.244 PRESSAVG: 542200 25.6283 -34.6406 -31.2671 -34.6406 -89.3407 25.4924 -31.2672 25.4923 14.345 GPRESSAVG: 542200 22.3644 -31.5201 -30.676 -33.0833 -87.3817 25.9818 -32.621 25.9666 15.5268 TIMING: 542200 CPU: 1627.3, 0.00299638/step Wall: 1627.3, 0.00299638/step, 3.71035 hours remaining, 207.285156 MB of memory in use. ENERGY: 542200 750.8741 2107.9601 1929.7505 109.5732 -206056.6160 17778.9781 0.0000 0.0000 34266.1765 -149113.3034 299.2550 -183379.4799 -149013.9188 299.0417 -13.1125 20.3165 558105.2755 -16.4558 -16.4968 PRESSURE: 542400 -133.959 -102.96 142.152 -102.961 54.0625 240.118 142.153 240.118 -25.1337 GPRESSURE: 542400 -50.0636 -32.098 199.174 -93.191 91.2238 181.29 114.895 289.149 -45.7102 PRESSAVG: 542400 -24.6867 1.06107 1.06103 1.06105 -1.48517 20.9082 1.06107 20.9082 -25.1509 GPRESSAVG: 542400 -23.2351 0.299137 -1.68855 1.34614 -1.14101 20.4221 3.18563 20.3221 -26.5057 TIMING: 542400 CPU: 1627.9, 0.00300443/step Wall: 1627.9, 0.00300443/step, 3.72016 hours remaining, 207.285156 MB of memory in use. ENERGY: 542400 770.6789 2099.7537 1953.7683 115.4086 -206259.7718 17755.8594 0.0000 0.0000 34439.5194 -149124.7835 300.7689 -183564.3029 -149024.3880 299.3703 -35.0102 -1.5167 557157.8763 -17.1076 -16.9606 PRESSURE: 542600 -131.846 -41.388 112.674 -41.3887 66.3475 277.295 112.675 277.295 -223.884 GPRESSURE: 542600 -83.7072 11.1552 127.946 -67.6918 88.9009 243.843 122.304 270.901 -192.456 PRESSAVG: 542600 -33.8545 -54.1589 26.2496 -54.1588 22.8593 -2.4424 26.2496 -2.44239 -16.3286 GPRESSAVG: 542600 -33.0411 -54.9359 27.3963 -56.4293 23.1216 -1.70025 25.0226 -1.99858 -17.1462 TIMING: 542600 CPU: 1628.5, 0.00299214/step Wall: 1628.5, 0.00299214/step, 3.70476 hours remaining, 207.285156 MB of memory in use. ENERGY: 542600 739.3322 2101.6211 1948.0354 112.7123 -206103.4577 17871.9317 0.0000 0.0000 34157.1047 -149172.7203 298.3025 -183329.8250 -149072.9131 299.4647 -96.4610 -62.4208 558621.5370 -9.1080 -9.0219 PRESSURE: 542800 107.099 -109.433 71.5662 -109.433 -49.8429 -167.95 71.5662 -167.951 -72.3265 GPRESSURE: 542800 137.448 -139.265 138.573 -54.7731 16.8519 -159.901 84.3809 -208.241 -71.793 PRESSAVG: 542800 11.9233 -44.7894 12.5777 -44.7894 7.02365 47.6716 12.5778 47.6718 -44.0487 GPRESSAVG: 542800 10.9894 -43.7243 10.7402 -43.9379 6.51822 49.0324 13.0063 46.7512 -43.0251 TIMING: 542800 CPU: 1629.1, 0.00300522/step Wall: 1629.1, 0.00300522/step, 3.72079 hours remaining, 207.285156 MB of memory in use. ENERGY: 542800 753.6130 2109.8837 1967.3927 115.6912 -206394.5706 18042.6787 0.0000 0.0000 34118.5595 -149286.7519 297.9659 -183405.3113 -149194.0141 298.9551 -5.0235 27.5023 558572.5693 -8.3673 -8.5058 PRESSURE: 543000 -174.342 26.2519 -62.1247 26.2524 -243.636 -44.4514 -62.1257 -44.4514 -330.066 GPRESSURE: 543000 -166.143 27.072 -87.9193 26.9877 -195.082 5.43967 46.578 22.5262 -293.15 PRESSAVG: 543000 86.15 -37.0551 37.5009 -37.055 -52.9547 25.873 37.5008 25.8729 -64.9499 GPRESSAVG: 543000 87.2304 -36.9453 38.4924 -37.2164 -53.7533 23.2192 37.1418 27.4763 -65.8006 TIMING: 543000 CPU: 1629.7, 0.00298709/step Wall: 1629.7, 0.00298709/step, 3.69818 hours remaining, 207.285156 MB of memory in use. ENERGY: 543000 738.5940 2090.8234 1962.0444 120.5962 -205871.6746 17491.6161 0.0000 0.0000 34267.6659 -149200.3347 299.2680 -183468.0005 -149107.8761 298.3055 -249.3480 -218.1250 558851.8731 -10.5849 -10.7745 PRESSURE: 543200 -43.0899 -1.96158 61.7433 -1.96228 -88.6611 -6.72427 61.7416 -6.7236 -27.0516 GPRESSURE: 543200 -25.0932 19.696 95.2815 64.341 -81.8694 25.3201 49.1859 28.9781 59.5709 PRESSAVG: 543200 45.7775 0.548012 -7.2814 0.54801 -14.2631 36.97 -7.28133 36.9701 -13.3411 GPRESSAVG: 543200 45.025 -2.79581 -6.74709 2.53807 -14.1674 37.6198 -5.54314 35.7314 -12.3295 TIMING: 543200 CPU: 1630.3, 0.00301539/step Wall: 1630.3, 0.00301539/step, 3.73306 hours remaining, 207.285156 MB of memory in use. ENERGY: 543200 784.7662 2105.5119 1952.6603 120.0788 -206374.1466 17733.7427 0.0000 0.0000 34175.8271 -149501.5595 298.4660 -183677.3866 -149395.0863 298.4600 -52.9342 -15.7972 555749.6142 6.0578 6.1760 PRESSURE: 543400 46.984 50.4016 -43.7897 50.401 -225.444 55.6168 -43.7894 55.6168 151.643 GPRESSURE: 543400 95.8188 18.7579 -42.1305 43.5596 -224.302 8.45056 -76.1084 58.8914 204.548 PRESSAVG: 543400 33.0767 -21.702 32.7552 -21.7021 -16.1525 79.575 32.7553 79.575 -11.8254 GPRESSAVG: 543400 34.087 -17.5136 32.3826 -23.7014 -16.8007 79.6123 31.8165 80.2711 -12.5373 TIMING: 543400 CPU: 1630.9, 0.00302546/step Wall: 1630.9, 0.00302546/step, 3.74535 hours remaining, 207.285156 MB of memory in use. ENERGY: 543400 718.7569 2082.7967 1936.6019 102.1040 -206467.4564 17828.4755 0.0000 0.0000 34181.7332 -149616.9883 298.5176 -183798.7214 -149525.3618 298.6725 -8.9390 25.3549 556717.8257 1.6996 1.5830 PRESSURE: 543600 195.53 51.7293 109.417 51.7288 -112.995 -42.7874 109.417 -42.7859 -296.639 GPRESSURE: 543600 212.843 53.3682 49.7134 114.935 12.284 29.8426 151.994 -78.3735 -339.579 PRESSAVG: 543600 18.3098 -6.40629 36.5871 -6.40632 -8.20446 52.0198 36.587 52.0197 -12.3619 GPRESSAVG: 543600 17.8876 -8.742 36.1501 -4.82907 -7.14429 52.3171 38.3437 51.2176 -13.001 TIMING: 543600 CPU: 1631.52, 0.00308579/step Wall: 1631.52, 0.00308579/step, 3.81986 hours remaining, 207.285156 MB of memory in use. ENERGY: 543600 727.8821 2044.1868 1916.8553 116.7815 -206323.6542 17712.6719 0.0000 0.0000 34368.3334 -149436.9432 300.1472 -183805.2766 -149335.7065 298.5451 -71.3681 -38.1507 556180.3044 -0.7522 -0.7526 PRESSURE: 543800 239.841 -114.505 106.016 -114.506 -124.777 -2.97346 106.017 -2.97385 -2.70035 GPRESSURE: 543800 191.731 -54.3034 119.787 -68.7844 -66.3217 3.56255 55.3742 20.7442 82.4768 PRESSAVG: 543800 69.1176 4.93263 -7.29342 4.93261 7.87066 -28.1063 -7.29339 -28.1064 -68.7603 GPRESSAVG: 543800 68.407 4.323 -5.96317 5.58477 6.88331 -27.5147 -10.7559 -27.9379 -66.9214 TIMING: 543800 CPU: 1632.14, 0.00308673/step Wall: 1632.14, 0.00308673/step, 3.82085 hours remaining, 207.285156 MB of memory in use. ENERGY: 543800 733.0480 2012.6094 1950.3861 117.9037 -206723.0099 17959.5811 0.0000 0.0000 34479.3255 -149470.1560 301.1165 -183949.4815 -149374.8894 298.9441 37.4548 69.2954 556924.1793 2.7426 2.7896 PRESSURE: 544000 44.0976 61.2669 185.723 61.2674 297.086 -18.7268 185.723 -18.7271 -20.8648 GPRESSURE: 544000 123.257 134.532 160.704 -56.9116 247.31 -44.4905 204.168 -35.2761 49.9591 PRESSAVG: 544000 -16.9997 25.1377 5.71392 25.1377 -13.7756 22.2627 5.71389 22.2627 11.8359 GPRESSAVG: 544000 -16.2583 26.6994 7.00531 23.118 -13.7982 21.8101 6.34817 21.1949 11.0852 TIMING: 544000 CPU: 1632.75, 0.00305124/step Wall: 1632.75, 0.00305124/step, 3.77676 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: 544000 778.8061 2046.4069 1906.6691 100.8121 -206541.8598 18030.6293 0.0000 0.0000 34126.9349 -149551.6015 298.0390 -183678.5364 -149450.4269 298.6671 106.7728 140.1753 556621.5979 -6.3131 -6.3238 PRESSURE: 544200 0.152499 -104.813 -103.32 -104.813 75.7617 -220.423 -103.319 -220.421 -148.004 GPRESSURE: 544200 21.9712 -185.912 -121.169 -26.6097 90.1436 -183.738 3.05177 -150.402 -98.1925 PRESSAVG: 544200 -34.6626 69.4223 -19.2581 69.4224 64.37 -51.3078 -19.2581 -51.3078 -38.8529 GPRESSAVG: 544200 -35.913 69.7585 -19.7735 70.2399 65.6768 -51.7609 -17.8364 -50.3786 -39.3267 TIMING: 544200 CPU: 1633.36, 0.00303429/step Wall: 1633.36, 0.00303429/step, 3.75561 hours remaining, 207.542969 MB of memory in use. ENERGY: 544200 716.5297 2099.2294 1928.9386 101.0521 -206558.4263 17865.0461 0.0000 0.0000 34090.4456 -149757.1848 297.7203 -183847.6305 -149669.5672 297.3654 -24.0300 4.6408 557160.4556 -3.0485 -3.1876 LDB: ============= START OF LOAD BALANCING ============== 1636.87 LDB: ============== END OF LOAD BALANCING =============== 1636.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1636.87 LDB: ============= START OF LOAD BALANCING ============== 1637.18 LDB: Largest compute 4772 load 0.029354 is 24.9% of average load 0.117913 LDB: Average compute 0.001728 is 1.5% of average load 0.117913 LDB: TIME 1637.18 LOAD: AVG 0.117913 MAX 0.214227 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.957 MB LDB: TIME 1637.18 LOAD: AVG 0.117913 MAX 0.214227 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.957 MB LDB: TIME 1637.18 LOAD: AVG 0.117913 MAX 0.214227 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.957 MB LDB: ============== END OF LOAD BALANCING =============== 1637.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1637.19 PRESSURE: 544400 -121.859 -94.8264 -39.4669 -94.826 -114.773 -96.6349 -39.467 -96.634 -34.3891 GPRESSURE: 544400 -96.1306 -109.215 -1.75927 -32.9905 -29.6149 -45.662 15.8154 -54.51 -55.4766 PRESSAVG: 544400 -22.9191 13.7602 -27.3488 13.7601 24.8687 -32.2343 -27.3487 -32.2344 -31.4072 GPRESSAVG: 544400 -22.5783 12.4463 -27.0241 15.9404 24.3562 -32.3663 -28.1109 -31.9274 -31.2532 TIMING: 544400 CPU: 1633.97, 0.0030658/step Wall: 1633.97, 0.0030658/step, 3.79443 hours remaining, 207.535156 MB of memory in use. ENERGY: 544400 760.6909 2038.4559 1976.0535 112.7707 -206241.2958 17689.7087 0.0000 0.0000 34119.4577 -149544.1583 297.9737 -183663.6160 -149442.6876 297.8508 -90.3401 -60.4073 557311.2078 -9.8192 -9.8251 PRESSURE: 544600 -49.1744 -179.066 70.0902 -179.066 -128.722 110.168 70.0887 110.169 -95.2128 GPRESSURE: 544600 -36.1148 -158.074 52.8266 -198.626 -130.672 121.52 88.0546 128.645 -14.8256 PRESSAVG: 544600 -24.6281 -18.487 44.9341 -18.4872 -12.9041 -17.7171 44.9341 -17.7173 -17.0177 GPRESSAVG: 544600 -23.4219 -17.4663 45.36 -21.1934 -14.7152 -18.1728 43.6774 -17.1124 -16.4257 TIMING: 544600 CPU: 1634.57, 0.00299701/step Wall: 1634.57, 0.00299701/step, 3.70913 hours remaining, 207.738281 MB of memory in use. ENERGY: 544600 761.1658 2070.4875 1942.3427 114.8036 -206266.6822 17833.9451 0.0000 0.0000 34095.0517 -149448.8860 297.7606 -183543.9377 -149357.3273 298.4876 -91.0365 -60.5374 556986.3133 -18.1833 -18.1876 PRESSURE: 544800 -368.706 -9.68809 80.5277 -9.68868 10.9221 50.0016 80.5283 50.0017 153.513 GPRESSURE: 544800 -311.341 19.3583 122.804 -18.541 62.4329 -13.2952 57.2188 80.441 138.113 PRESSAVG: 544800 -24.5443 -66.9855 20.4669 -66.9855 30.4519 22.6636 20.4668 22.6636 13.8525 GPRESSAVG: 544800 -24.5387 -67.8837 19.5995 -68.0246 31.5606 23.0196 21.4245 24.1961 12.478 TIMING: 544800 CPU: 1635.17, 0.00301235/step Wall: 1635.17, 0.00301235/step, 3.72795 hours remaining, 207.738281 MB of memory in use. ENERGY: 544800 704.2966 2053.7084 1932.9321 106.9924 -206236.4944 17734.1900 0.0000 0.0000 34214.0396 -149490.3353 298.7997 -183704.3749 -149391.1314 298.2295 -68.0904 -36.9317 557408.8027 6.5867 6.5000 PRESSURE: 545000 -19.0708 116.365 -18.6905 116.365 -138.209 5.48299 -18.6896 5.48318 153.645 GPRESSURE: 545000 67.5264 65.2464 -44.7177 97.3987 -138.714 98.7187 49.6917 -17.1013 161.335 PRESSAVG: 545000 -21.456 20.136 52.7369 20.136 -18.9389 10.6191 52.7368 10.619 20.7669 GPRESSAVG: 545000 -22.4217 19.9854 53.2199 23.5454 -18.4463 11.6572 52.6843 7.03905 21.6067 TIMING: 545000 CPU: 1635.77, 0.00301143/step Wall: 1635.77, 0.00301143/step, 3.72665 hours remaining, 207.738281 MB of memory in use. ENERGY: 545000 756.1589 2054.4392 1910.4532 112.9294 -206099.3444 17555.2227 0.0000 0.0000 34238.5280 -149471.6129 299.0136 -183710.1409 -149380.8126 298.2896 -1.2114 30.0491 556007.7538 -6.5426 -6.4204 PRESSURE: 545200 -109.513 70.4681 -14.0483 70.4674 -8.14989 27.4271 -14.0486 27.4269 -234.349 GPRESSURE: 545200 -89.3725 74.6254 -13.2679 -30.1296 37.6813 -19.5026 -125.442 43.6363 -197.599 PRESSAVG: 545200 -19.7714 5.01622 -28.634 5.01615 -1.64532 33.1467 -28.634 33.1467 27.0458 GPRESSAVG: 545200 -20.1391 5.96089 -28.1512 2.77572 -2.05836 33.8437 -28.8871 35.1092 27.8491 TIMING: 545200 CPU: 1636.38, 0.0030115/step Wall: 1636.38, 0.0030115/step, 3.72656 hours remaining, 207.738281 MB of memory in use. ENERGY: 545200 734.0672 2115.5510 1939.0163 107.5385 -205974.6147 17499.8458 0.0000 0.0000 34252.9978 -149325.5981 299.1399 -183578.5959 -149222.8009 299.1717 -117.3373 -83.0969 555772.8703 1.8764 1.8839 PRESSURE: 545400 -98.6169 56.286 -65.4323 56.2862 1.28161 126.648 -65.4311 126.648 -10.2044 GPRESSURE: 545400 -71.6904 68.023 -95.0863 45.6946 75.6863 185.212 -39.5543 55.4596 1.02097 PRESSAVG: 545400 55.5796 43.691 -4.06974 43.691 -73.8684 10.7354 -4.06967 10.7354 29.0909 GPRESSAVG: 545400 55.6026 43.6126 -4.56334 45.7342 -73.5893 9.06279 -3.80394 10.9195 28.3874 TIMING: 545400 CPU: 1636.97, 0.00298574/step Wall: 1636.97, 0.00298574/step, 3.69452 hours remaining, 207.738281 MB of memory in use. ENERGY: 545400 739.4805 2111.8812 1931.1805 123.6446 -206080.6519 17655.8884 0.0000 0.0000 34287.6775 -149230.8993 299.4428 -183518.5767 -149130.1926 299.7699 -35.8466 1.6723 555456.7647 3.6007 3.4669 PRESSURE: 545600 125.933 59.5048 -49.1916 59.5057 -69.1496 -105.207 -49.1929 -105.206 -214.111 GPRESSURE: 545600 152.361 134.111 -0.92678 42.5913 -42.5557 -153.873 -13.8415 -105.479 -184.053 PRESSAVG: 545600 6.42033 10.1378 -6.06073 10.1378 32.7675 35.8006 -6.06065 35.8006 -17.8917 GPRESSAVG: 545600 5.67587 12.0001 -5.80116 9.18982 32.9902 37.2262 -5.64611 33.5799 -17.5694 TIMING: 545600 CPU: 1637.58, 0.00303998/step Wall: 1637.58, 0.00303998/step, 3.76147 hours remaining, 207.738281 MB of memory in use. ENERGY: 545600 725.8105 2155.6583 1946.4386 113.6840 -205838.7885 17469.5017 0.0000 0.0000 34155.3291 -149272.3664 298.2870 -183427.6954 -149175.9365 299.6146 -52.4423 -24.7490 556971.1676 7.0987 7.0322 PRESSURE: 545800 73.955 34.1555 126.091 34.1547 127.878 75.3109 126.092 75.3109 154.123 GPRESSURE: 545800 148.639 73.9371 98.8507 -19.6697 233.748 -14.0372 165.897 91.794 79.551 PRESSAVG: 545800 -38.9466 54.7686 -23.9714 54.7686 -30.1187 14.8811 -23.9714 14.8812 41.8603 GPRESSAVG: 545800 -38.3706 53.1173 -24.875 51.7663 -29.9545 13.8359 -24.3895 17.1812 41.3501 TIMING: 545800 CPU: 1638.19, 0.0030435/step Wall: 1638.19, 0.0030435/step, 3.76565 hours remaining, 207.738281 MB of memory in use. ENERGY: 545800 736.1080 2107.7766 1961.4303 120.3338 -206550.2036 17936.8213 0.0000 0.0000 34459.4737 -149228.2599 300.9432 -183687.7336 -149126.5267 299.2762 118.6521 153.9792 556442.4391 -9.0683 -8.9917 PRESSURE: 546000 -290.419 -62.3399 -136.109 -62.3387 -17.6778 0.0373408 -136.109 0.0366126 30.8434 GPRESSURE: 546000 -239.317 -132.715 -177.196 24.1441 -21.0216 -34.9 -144.78 -75.5851 78.3125 PRESSAVG: 546000 23.1707 -32.2418 -2.39017 -32.2418 -43.3101 13.4901 -2.39013 13.4901 9.11684 GPRESSAVG: 546000 23.8656 -32.8614 -1.6251 -30.809 -45.0267 14.5641 -2.78151 12.1228 9.38495 TIMING: 546000 CPU: 1638.79, 0.00300904/step Wall: 1638.79, 0.00300904/step, 3.72286 hours remaining, 207.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 546000 793.7878 2119.5334 1940.0433 125.5102 -206348.2393 17827.7920 0.0000 0.0000 34325.0543 -149216.5183 299.7692 -183541.5726 -149110.0827 299.9599 -92.4179 -60.6755 557370.9559 -3.6742 -3.9254 PRESSURE: 546200 -53.7195 -35.9042 -9.66295 -35.9048 30.8317 118.205 -9.66271 118.206 360.694 GPRESSURE: 546200 -10.2164 -36.5632 -107.602 -39.9349 79.2997 116.684 39.0788 74.4829 346.419 PRESSAVG: 546200 -37.8696 -3.55251 -55.9179 -3.55259 -5.60072 -7.89665 -55.918 -7.89668 33.2387 GPRESSAVG: 546200 -38.1042 -1.81081 -59.2069 -3.67469 -5.04301 -7.65338 -56.3316 -9.43878 32.6218 TIMING: 546200 CPU: 1639.39, 0.00300253/step Wall: 1639.39, 0.00300253/step, 3.71463 hours remaining, 207.738281 MB of memory in use. ENERGY: 546200 735.3371 2107.3943 1935.0762 115.0874 -206201.6795 17770.0412 0.0000 0.0000 34502.6136 -149036.1297 301.3199 -183538.7433 -148940.8831 299.5117 112.6021 138.5007 555224.2696 -3.4105 -3.5085 PRESSURE: 546400 -298.736 -56.6762 19.7787 -56.6763 -193.518 -45.7092 19.7809 -45.7112 -331.666 GPRESSURE: 546400 -219.288 -83.0046 34.8018 -67.9353 -175.677 -38.3477 -62.6279 35.1284 -319.156 PRESSAVG: 546400 -25.1448 5.22252 -50.0307 5.22258 39.0804 14.4402 -50.0307 14.4403 -11.0904 GPRESSAVG: 546400 -26.1188 3.71798 -46.2988 5.74169 39.4293 13.9057 -50.4073 14.037 -10.724 TIMING: 546400 CPU: 1640, 0.0030583/step Wall: 1640, 0.0030583/step, 3.78346 hours remaining, 207.738281 MB of memory in use. ENERGY: 546400 771.9115 2064.2466 1934.2282 113.8080 -205635.2919 17345.4758 0.0000 0.0000 34293.7211 -149111.9006 299.4956 -183405.6217 -149018.7615 300.2056 -274.6399 -238.0400 558061.5104 0.9484 0.8622 PRESSURE: 546600 188.606 -66.4576 -3.80742 -66.4572 -101.219 -86.686 -3.80715 -86.6845 131.083 GPRESSURE: 546600 155.303 34.453 -30.2796 -146.634 -33.2299 -54.4215 26.9217 -53.9474 200.844 PRESSAVG: 546600 29.9081 -11.7259 -26.5185 -11.7258 52.27 -5.81136 -26.5185 -5.81141 -75.9967 GPRESSAVG: 546600 28.8426 -9.74133 -28.8492 -12.8354 51.5771 -7.1608 -25.6307 -3.13948 -73.9678 TIMING: 546600 CPU: 1640.61, 0.0030219/step Wall: 1640.61, 0.0030219/step, 3.73826 hours remaining, 207.738281 MB of memory in use. ENERGY: 546600 730.6638 2116.9329 1949.2557 111.0759 -206009.8500 17805.0821 0.0000 0.0000 34295.6874 -149001.1521 299.5128 -183296.8395 -148911.3849 299.5019 72.8234 107.6390 556393.8849 2.0605 2.1506 PRESSURE: 546800 -340.714 6.46909 170.26 6.46954 -418.2 5.72075 170.26 5.72037 -143.839 GPRESSURE: 546800 -318.145 8.91254 141.664 -11.6609 -334.21 85.1909 170.919 8.93613 -140.403 PRESSAVG: 546800 -40.6664 10.2601 28.3615 10.2602 45.6508 8.55938 28.3614 8.55943 18.3032 GPRESSAVG: 546800 -38.2948 9.38912 28.6205 12.2806 45.0833 11.9388 29.4937 7.38527 17.0875 TIMING: 546800 CPU: 1641.22, 0.00306307/step Wall: 1641.22, 0.00306307/step, 3.78902 hours remaining, 207.738281 MB of memory in use. ENERGY: 546800 808.9878 2079.1103 1913.0308 114.6438 -205719.3876 17429.1489 0.0000 0.0000 34422.3191 -148952.1470 300.6187 -183374.4661 -148859.6380 300.3877 -300.9174 -264.2529 557822.0568 7.7625 7.9587 PRESSURE: 547000 112.502 -46.636 -43.0101 -46.6355 -124.614 43.268 -43.0098 43.269 -301.633 GPRESSURE: 547000 130.237 13.2903 -86.8395 -103.574 -99.9521 41.6312 3.10293 -96.9628 -244.497 PRESSAVG: 547000 86.0432 13.0014 40.952 13.0014 -51.8134 15.5162 40.952 15.5163 -45.9914 GPRESSAVG: 547000 84.9897 13.8263 39.5463 12.0393 -51.1674 14.5086 38.6585 14.9454 -45.2296 TIMING: 547000 CPU: 1641.83, 0.00306166/step Wall: 1641.83, 0.00306166/step, 3.78711 hours remaining, 207.738281 MB of memory in use. ENERGY: 547000 793.4558 2070.7317 1916.4463 122.6364 -205999.4332 17609.7095 0.0000 0.0000 34618.2969 -148868.1565 302.3302 -183486.4535 -148775.1601 300.6195 -104.5818 -71.4040 556840.5930 -3.9205 -3.8024 PRESSURE: 547200 69.478 -9.88643 21.325 -9.88698 -111.272 -23.6128 21.3251 -23.6141 -186.812 GPRESSURE: 547200 58.9042 80.5325 13.8989 -27.5175 -30.5585 47.7557 24.6973 -162.79 -153.882 PRESSAVG: 547200 24.0102 -14.0792 -7.31059 -14.0792 -4.87664 4.95106 -7.31066 4.95113 11.92 GPRESSAVG: 547200 24.8976 -13.8033 -5.9787 -12.2528 -5.24852 1.25037 -5.80333 5.21703 11.6053 TIMING: 547200 CPU: 1642.44, 0.00304867/step Wall: 1642.44, 0.00304867/step, 3.77087 hours remaining, 207.738281 MB of memory in use. ENERGY: 547200 755.1948 2089.6644 1941.1736 117.4353 -205896.2688 17646.5652 0.0000 0.0000 34366.5058 -148979.7299 300.1312 -183346.2356 -148880.4455 300.6146 -76.2019 -41.8454 558530.5322 10.3512 10.4181 PRESSURE: 547400 -241.932 -91.7549 77.7725 -91.754 -247.611 35.4878 77.7727 35.4871 -36.2305 GPRESSURE: 547400 -169.224 -129.128 137.375 -60.7082 -211.953 -25.6739 15.1302 49.4843 -45.7564 PRESSAVG: 547400 27.3941 39.8438 41.9686 39.8439 -42.141 -32.7609 41.9685 -32.7609 29.015 GPRESSAVG: 547400 27.194 39.595 43.324 39.1221 -41.7953 -30.6068 39.7194 -33.3982 28.6649 TIMING: 547400 CPU: 1643.05, 0.00306261/step Wall: 1643.05, 0.00306261/step, 3.78794 hours remaining, 207.738281 MB of memory in use. ENERGY: 547400 795.3461 2071.0335 1932.4107 111.5032 -206150.0928 17625.0326 0.0000 0.0000 34600.4685 -149014.2983 302.1745 -183614.7668 -148914.3191 300.8707 -175.2580 -142.3112 557678.4971 4.7560 4.6879 PRESSURE: 547600 -192.047 110.693 41.8419 110.692 -186.807 -105.815 41.8422 -105.814 76.6786 GPRESSURE: 547600 -133.131 123.559 32.4955 103.592 -181.612 -1.25499 132.545 -111.452 113.983 PRESSAVG: 547600 -14.592 29.53 -12.8716 29.5301 -14.6245 -81.1604 -12.8715 -81.1604 25.0807 GPRESSAVG: 547600 -15.3347 27.7886 -13.3161 30.9454 -13.6617 -80.0451 -11.4746 -80.967 24.5828 TIMING: 547600 CPU: 1643.65, 0.00298849/step Wall: 1643.65, 0.00298849/step, 3.6961 hours remaining, 207.738281 MB of memory in use. ENERGY: 547600 808.9368 2081.9610 1948.4876 100.0671 -206052.2715 17695.2303 0.0000 0.0000 34322.4551 -149095.1335 299.7465 -183417.5886 -149001.7434 300.5024 -100.7251 -66.9199 558306.3238 -1.3786 -1.4712 PRESSURE: 547800 -84.2673 -12.6845 14.9199 -12.6856 49.0186 -106.403 14.9202 -106.402 5.07394 GPRESSURE: 547800 -43.2589 -62.8682 84.3649 13.8451 73.3603 -111.488 29.0013 -86.3255 27.3228 PRESSAVG: 547800 -52.8882 73.729 -30.767 73.729 -43.3908 -58.8769 -30.7671 -58.8768 119.74 GPRESSAVG: 547800 -52.2159 76.0566 -29.7535 71.6641 -45.88 -60.5706 -29.9263 -57.6563 121.412 TIMING: 547800 CPU: 1644.25, 0.00297039/step Wall: 1644.25, 0.00297039/step, 3.67355 hours remaining, 207.738281 MB of memory in use. ENERGY: 547800 768.3449 2052.8558 1935.7090 119.1331 -206132.1149 17851.3824 0.0000 0.0000 34265.6038 -149139.0858 299.2500 -183404.6897 -149047.4107 299.6048 -10.0583 19.1414 557424.5247 7.8205 7.7721 PRESSURE: 548000 -302.684 164.141 -14.9338 164.14 42.2879 -78.5109 -14.9325 -78.5105 106.553 GPRESSURE: 548000 -252.573 118.674 -114.049 148.965 53.9607 -102.901 0.0315234 -37.2863 131.061 PRESSAVG: 548000 -42.2454 3.97402 33.724 3.97397 -24.8752 -51.7656 33.7241 -51.7655 34.8381 GPRESSAVG: 548000 -42.0527 2.93347 32.0304 5.49506 -23.4346 -49.2361 31.9911 -55.0006 32.9973 TIMING: 548000 CPU: 1644.84, 0.00297498/step Wall: 1644.84, 0.00297498/step, 3.67906 hours remaining, 207.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 548000 738.7399 2063.0141 1954.7880 105.7964 -206400.1825 17881.3051 0.0000 0.0000 34457.3289 -149199.2102 300.9244 -183656.5391 -149102.5891 299.4245 -51.2809 -22.5172 558423.8917 -10.7608 -10.8300 PRESSURE: 548200 204.221 52.1929 79.7698 52.1933 16.5787 -60.7863 79.7692 -60.7849 -15.0158 GPRESSURE: 548200 260.488 46.7532 87.7603 83.1307 22.9265 -70.4099 35.3033 -58.5718 1.25887 PRESSAVG: 548200 -28.1937 12.5297 -45.8412 12.5296 -33.4317 -17.4069 -45.8412 -17.4069 29.5513 GPRESSAVG: 548200 -27.4016 10.0438 -46.128 11.3864 -34.3475 -19.0066 -45.1028 -14.9606 29.0136 TIMING: 548200 CPU: 1645.44, 0.00300758/step Wall: 1645.44, 0.00300758/step, 3.71921 hours remaining, 207.738281 MB of memory in use. ENERGY: 548200 740.8907 2091.6064 1953.2011 125.3398 -206143.2837 17916.6352 0.0000 0.0000 34350.2417 -148965.3688 299.9892 -183315.6105 -148871.8478 299.8428 68.5946 94.8912 557691.4732 -10.6914 -10.9118 LDB: ============= START OF LOAD BALANCING ============== 1648.96 LDB: ============== END OF LOAD BALANCING =============== 1648.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1648.96 LDB: ============= START OF LOAD BALANCING ============== 1649.27 LDB: Largest compute 4800 load 0.027978 is 23.7% of average load 0.117898 LDB: Average compute 0.001728 is 1.5% of average load 0.117898 LDB: TIME 1649.27 LOAD: AVG 0.117898 MAX 0.211704 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.273 MB LDB: TIME 1649.27 LOAD: AVG 0.117898 MAX 0.211704 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.477 MB LDB: TIME 1649.27 LOAD: AVG 0.117898 MAX 0.211704 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.477 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1649.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1649.27 PRESSURE: 548400 -560.647 46.6841 10.7129 46.6842 -218.235 -31.9646 10.7143 -31.9651 -85.7698 GPRESSURE: 548400 -535.298 106.245 19.4083 -30.1972 -200.156 -104.904 54.6626 11.8546 -35.7565 PRESSAVG: 548400 21.6272 -46.6508 25.8929 -46.6508 -36.8182 -47.8724 25.893 -47.8725 -5.81779 GPRESSAVG: 548400 20.5147 -44.2585 27.5476 -46.147 -36.4709 -44.8961 25.6228 -48.4068 -5.53172 TIMING: 548400 CPU: 1646.06, 0.00307201/step Wall: 1646.06, 0.00307201/step, 3.79871 hours remaining, 207.285156 MB of memory in use. ENERGY: 548400 802.6804 2111.1910 1958.9196 120.0598 -205708.2315 17578.8437 0.0000 0.0000 34269.6739 -148866.8630 299.2856 -183136.5369 -148767.8657 300.5331 -288.2173 -257.0701 560859.8856 -7.0029 -7.1627 PRESSURE: 548600 201.894 -18.7642 -70.0283 -18.7637 15.1629 -15.2938 -70.0267 -15.2951 -19.0166 GPRESSURE: 548600 311.399 37.8167 -85.667 -29.2866 -11.2894 -53.0319 7.85948 -144.729 -4.72172 PRESSAVG: 548600 -16.7304 -11.3421 -9.14344 -11.3421 27.4813 -46.8281 -9.14344 -46.8282 50.0962 GPRESSAVG: 548600 -15.7627 -12.8648 -11.2758 -11.5745 27.3225 -48.3722 -9.71914 -46.4902 49.4928 TIMING: 548600 CPU: 1646.66, 0.00301562/step Wall: 1646.66, 0.00301562/step, 3.72881 hours remaining, 207.285156 MB of memory in use. ENERGY: 548600 725.6690 2061.4491 1974.4384 120.5875 -206304.1879 17869.9301 0.0000 0.0000 34558.6417 -148993.4721 301.8092 -183552.1138 -148892.8104 300.4363 66.0133 98.4627 557782.7675 20.2824 20.3509 PRESSURE: 548800 -129.427 87.582 127.04 87.5825 -226.099 -13.4552 127.04 -13.4555 -271.676 GPRESSURE: 548800 -43.2372 165.099 97.8845 93.788 -220.64 1.63276 176.102 52.1699 -256.162 PRESSAVG: 548800 -31.7718 -17.5567 -24.1637 -17.5567 5.48194 -32.0821 -24.1637 -32.082 12.5516 GPRESSAVG: 548800 -32.3088 -15.0691 -25.2104 -18.814 4.06344 -32.2175 -21.4096 -32.4798 14.7597 TIMING: 548800 CPU: 1647.26, 0.00302011/step Wall: 1647.26, 0.00302011/step, 3.73419 hours remaining, 207.285156 MB of memory in use. ENERGY: 548800 768.8095 2116.1594 1968.9169 119.4472 -205750.8849 17552.2455 0.0000 0.0000 34386.8966 -148838.4099 300.3093 -183225.3064 -148738.9429 300.8034 -209.0670 -173.3463 559380.3782 -4.5794 -4.4952 PRESSURE: 549000 90.4375 16.1627 41.6771 16.1622 -82.9068 -56.3252 41.6774 -56.3263 232.064 GPRESSURE: 549000 151.188 37.1065 37.3054 16.8817 -33.8942 -43.5848 108.289 -50.6367 210.152 PRESSAVG: 549000 -3.73553 -16.986 31.3964 -16.986 10.8297 -15.984 31.3964 -15.9842 9.75251 GPRESSAVG: 549000 -3.53432 -18.8613 32.8883 -13.7075 10.8149 -16.5868 28.6582 -16.5505 9.78052 TIMING: 549000 CPU: 1647.87, 0.00300484/step Wall: 1647.87, 0.00300484/step, 3.71515 hours remaining, 207.285156 MB of memory in use. ENERGY: 549000 757.4242 2130.4820 1950.1409 115.6500 -206158.9174 18003.8147 0.0000 0.0000 34348.2220 -148853.1835 299.9716 -183201.4056 -148762.1659 301.0945 79.8649 109.1487 557851.0215 5.6155 5.6870 PRESSURE: 549200 138.719 75.739 114.582 75.7392 121.293 -120.98 114.581 -120.979 168.109 GPRESSURE: 549200 180.538 45.1217 165.276 154.438 151.568 -36.8924 70.4947 -118.462 194.151 PRESSAVG: 549200 52.523 18.2858 1.28434 18.2858 -26.897 7.2045 1.28429 7.20458 -51.2551 GPRESSAVG: 549200 53.1205 19.4667 0.956807 18.7832 -26.4399 9.58851 2.75534 7.35492 -51.6159 TIMING: 549200 CPU: 1648.47, 0.00301612/step Wall: 1648.47, 0.00301612/step, 3.72893 hours remaining, 207.285156 MB of memory in use. ENERGY: 549200 739.6786 2075.1598 1971.1773 115.4767 -205954.2847 17867.0882 0.0000 0.0000 34558.0725 -148627.6315 301.8042 -183185.7040 -148534.7585 300.9750 142.7067 175.4189 557740.6016 -8.5430 -8.3118 PRESSURE: 549400 -18.2541 -7.28133 -20.1144 -7.28147 100.462 -169.988 -20.1155 -169.988 2.8438 GPRESSURE: 549400 55.9124 -72.8088 -57.2683 -26.6893 111.85 -217.045 -6.01582 -140.858 18.8547 PRESSAVG: 549400 -50.1697 -14.6228 -10.4525 -14.6228 29.2606 -35.8642 -10.4525 -35.8642 102.037 GPRESSAVG: 549400 -50.5601 -14.7311 -7.47409 -16.9783 30.1575 -38.5448 -12.169 -33.9816 101.611 TIMING: 549400 CPU: 1649.07, 0.00299657/step Wall: 1649.07, 0.00299657/step, 3.70459 hours remaining, 207.285156 MB of memory in use. ENERGY: 549400 755.5145 2143.5575 1960.4606 106.6789 -206368.5544 17936.5735 0.0000 0.0000 34715.1594 -148750.6100 303.1761 -183465.7694 -148648.1874 301.0472 28.3507 62.2056 558561.3819 27.0426 27.0695 PRESSURE: 549600 92.0708 -38.4321 162.672 -38.433 31.3791 -74.3911 162.672 -74.3911 4.22174 GPRESSURE: 549600 75.3533 -26.534 92.9123 -94.7221 136.842 -2.20436 231.928 -95.0313 20.2437 PRESSAVG: 549600 1.42956 4.34278 -5.69391 4.34273 37.1759 -54.8712 -5.69387 -54.8711 -4.5536 GPRESSAVG: 549600 1.48504 3.80153 -7.30394 5.48376 37.8596 -52.666 -5.31841 -55.8838 -5.07002 TIMING: 549600 CPU: 1649.67, 0.00302089/step Wall: 1649.67, 0.00302089/step, 3.73449 hours remaining, 207.285156 MB of memory in use. ENERGY: 549600 759.1373 2069.3409 1956.0221 114.1670 -205853.6528 17736.0040 0.0000 0.0000 34396.7298 -148822.2516 300.3952 -183218.9814 -148724.5287 300.6916 42.5572 77.4798 556928.9193 11.3506 11.4249 PRESSURE: 549800 -89.6395 44.8856 1.706 44.8826 83.0433 -301.571 1.70693 -301.571 -176.389 GPRESSURE: 549800 10.3427 75.2369 11.6755 -12.6413 41.6586 -287.797 -4.07641 -293.626 -130.147 PRESSAVG: 549800 42.1527 43.3096 38.6128 43.3096 22.7539 15.516 38.6127 15.5157 -4.1606 GPRESSAVG: 549800 41.7672 42.0508 37.0201 43.7382 22.2967 14.6691 38.8946 14.0341 -2.75375 TIMING: 549800 CPU: 1650.27, 0.00300911/step Wall: 1650.27, 0.00300911/step, 3.71976 hours remaining, 207.285156 MB of memory in use. ENERGY: 549800 810.5150 2152.1658 1926.4812 111.9723 -206264.6452 17959.1015 0.0000 0.0000 34616.2298 -148688.1796 302.3121 -183304.4094 -148593.7487 301.3023 -60.9952 -26.0487 558329.6401 20.2487 20.4367 PRESSURE: 550000 -193.991 1.50063 172.059 1.50167 70.6123 68.7627 172.059 68.7626 158.433 GPRESSURE: 550000 -133.321 -134.625 166.399 -83.1272 96.5614 8.80315 140.796 45.0985 172.767 PRESSAVG: 550000 9.94367 -14.2282 7.06475 -14.2282 35.2363 -50.0508 7.06468 -50.0508 -28.6386 GPRESSAVG: 550000 10.6131 -13.131 8.56505 -16.0358 35.7967 -51.4447 8.75546 -49.2856 -30.4907 TIMING: 550000 CPU: 1650.87, 0.00299362/step Wall: 1650.87, 0.00299362/step, 3.70045 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: 550000 754.0151 2078.3188 1957.3349 115.5390 -205939.2548 17795.2911 0.0000 0.0000 34696.2777 -148542.4781 303.0112 -183238.7558 -148445.7515 301.1197 11.6849 45.3359 556942.8384 5.5138 5.3064 PRESSURE: 550200 -148.149 -87.5971 -135.41 -87.5966 -178.004 -49.6278 -135.41 -49.6295 -357.693 GPRESSURE: 550200 -183.501 -28.1436 -188.536 -113.773 -127.75 -16.0845 -111.415 -9.73908 -270.282 PRESSAVG: 550200 -74.604 24.622 19.7763 24.622 27.6488 22.3783 19.7764 22.3783 2.00537 GPRESSAVG: 550200 -74.8548 23.7418 19.2397 26.1203 27.147 25.786 18.5459 22.418 2.41902 TIMING: 550200 CPU: 1651.47, 0.00299746/step Wall: 1651.47, 0.00299746/step, 3.70502 hours remaining, 207.285156 MB of memory in use. ENERGY: 550200 742.5462 2117.6698 1983.6001 117.6470 -205395.7120 17499.9824 0.0000 0.0000 34319.3851 -148614.8815 299.7197 -182934.2666 -148517.0397 300.6473 -227.9485 -193.8442 559466.0645 -14.9833 -15.0963 PRESSURE: 550400 20.7211 -14.5628 -8.13373 -14.5629 -257.876 267.506 -8.13341 267.506 17.9485 GPRESSURE: 550400 95.8632 -17.9571 -83.5972 36.0145 -232.246 249.254 -4.84161 246.219 1.68831 PRESSAVG: 550400 2.53867 20.6255 -5.43024 20.6256 14.1319 -1.98583 -5.43024 -1.9859 -69.4168 GPRESSAVG: 550400 2.31132 21.5865 -6.21899 20.8847 14.4001 -5.32694 -6.44412 0.882747 -69.1071 TIMING: 550400 CPU: 1652.07, 0.00298673/step Wall: 1652.07, 0.00298673/step, 3.6916 hours remaining, 207.285156 MB of memory in use. ENERGY: 550400 739.1862 2054.1192 1968.1198 120.7803 -205340.5556 17412.9665 0.0000 0.0000 34331.4489 -148713.9347 299.8251 -183045.3836 -148612.7110 300.5023 -73.0688 -44.8983 558587.9660 -17.5821 -17.4652 PRESSURE: 550600 -27.8284 -140.331 -99.0448 -140.331 -10.4734 24.7929 -99.0448 24.7906 -229.282 GPRESSURE: 550600 -27.2403 -255.012 -79.3537 -27.5086 88.3529 -65.3016 -49.8187 23.0265 -226.796 PRESSAVG: 550600 -15.7519 -2.33384 -28.0057 -2.3339 -44.4724 -19.9409 -28.0057 -19.9408 47.1739 GPRESSAVG: 550600 -16.6768 -1.62569 -25.934 -4.85951 -43.293 -19.8508 -28.4335 -21.5551 46.9648 TIMING: 550600 CPU: 1652.67, 0.00298978/step Wall: 1652.67, 0.00298978/step, 3.6952 hours remaining, 207.285156 MB of memory in use. ENERGY: 550600 753.0524 2041.4829 1985.8196 132.0267 -206052.0144 17811.6085 0.0000 0.0000 34569.6552 -148758.3690 301.9054 -183328.0242 -148668.3491 300.6999 -89.1945 -55.2279 558783.7529 -4.3501 -4.3350 PRESSURE: 550800 -56.8164 -18.8221 73.0072 -18.8221 47.0081 95.7141 73.007 95.7143 264.287 GPRESSURE: 550800 1.83567 -26.2523 27.5831 -12.868 53.4769 -19.5308 67.9971 164.878 290.601 PRESSAVG: 550800 -10.2628 1.27837 6.21984 1.27839 -1.43118 43.6923 6.21972 43.6923 45.7668 GPRESSAVG: 550800 -9.4291 -0.121291 4.12289 2.24604 -2.09974 43.9793 6.96519 43.4146 45.8999 TIMING: 550800 CPU: 1653.27, 0.00300065/step Wall: 1653.27, 0.00300065/step, 3.70847 hours remaining, 207.285156 MB of memory in use. ENERGY: 550800 761.0139 2059.6574 1954.8864 110.7012 -206023.3475 17912.7596 0.0000 0.0000 34320.6194 -148903.7094 299.7305 -183224.3288 -148806.4274 300.0967 84.8261 115.3046 557630.8427 11.3576 11.4570 PRESSURE: 551000 -65.5833 10.9108 -31.4427 10.9117 -13.0467 158.768 -31.4423 158.769 133.152 GPRESSURE: 551000 -35.3525 77.8207 -67.9833 -9.83119 23.8942 111.95 -72.9558 168.151 168.778 PRESSAVG: 551000 -8.90634 16.3542 -34.2383 16.3541 -12.3802 -22.0469 -34.2382 -22.0468 35.3511 GPRESSAVG: 551000 -8.10115 17.7187 -33.4453 15.2784 -13.6375 -23.6034 -35.7529 -22.846 35.9621 TIMING: 551000 CPU: 1653.86, 0.00297367/step Wall: 1653.86, 0.00297367/step, 3.67496 hours remaining, 207.285156 MB of memory in use. ENERGY: 551000 762.3976 2137.4726 1951.0770 112.8239 -205947.4828 17745.1113 0.0000 0.0000 34333.9363 -148904.6641 299.8468 -183238.6004 -148812.2075 300.6716 18.1740 52.4398 558610.0792 4.6882 4.7411 PRESSURE: 551200 -45.9373 -92.9728 -50.6395 -92.9725 108.42 -141.714 -50.6382 -141.712 -54.7669 GPRESSURE: 551200 18.9654 -72.9323 -73.8633 -95.3179 118.459 -39.3933 24.7569 -203.878 -26.4627 PRESSAVG: 551200 -35.8816 10.5046 -59.9716 10.5046 47.2145 -34.1212 -59.9716 -34.1211 17.5981 GPRESSAVG: 551200 -37.5113 12.0566 -59.8342 10.9713 47.76 -29.5447 -58.3749 -35.0203 18.38 TIMING: 551200 CPU: 1654.46, 0.00298786/step Wall: 1654.46, 0.00298786/step, 3.69233 hours remaining, 207.285156 MB of memory in use. ENERGY: 551200 727.2390 2053.9695 1973.3548 123.8712 -205944.5516 17837.3439 0.0000 0.0000 34348.6443 -148880.1288 299.9753 -183228.7732 -148783.2456 300.1468 2.5719 36.9871 557720.3915 9.6437 9.5429 PRESSURE: 551400 -18.3145 -109.933 -103.486 -109.934 71.3704 -171.75 -103.486 -171.75 133.928 GPRESSURE: 551400 -23.3512 -154.572 -26.7526 -34.1094 82.8582 -161.835 -122.36 -144.619 218.019 PRESSAVG: 551400 25.3972 -15.4826 -58.3113 -15.4826 55.8254 16.5445 -58.3112 16.5445 -29.4156 GPRESSAVG: 551400 25.745 -15.8009 -56.7748 -16.1535 57.0671 14.2211 -57.9418 18.5801 -31.7224 TIMING: 551400 CPU: 1655.07, 0.00303329/step Wall: 1655.07, 0.00303329/step, 3.7483 hours remaining, 207.285156 MB of memory in use. ENERGY: 551400 744.7036 2070.0355 1958.4053 103.7254 -205754.5798 17676.6686 0.0000 0.0000 34442.4374 -148758.6039 300.7944 -183201.0413 -148667.7847 300.9546 62.3281 92.5087 556897.4709 17.2690 17.0299 PRESSURE: 551600 -2.62668 -16.8256 -21.8999 -16.8251 206.032 -50.2647 -21.8998 -50.2648 -2.11103 GPRESSURE: 551600 35.009 68.8918 -77.0244 -50.1973 192.119 -82.39 -38.7523 -56.5567 67.7227 PRESSAVG: 551600 41.3872 52.9103 -76.1977 52.9103 -5.16366 -38.0463 -76.1978 -38.0463 -38.1235 GPRESSAVG: 551600 41.3866 50.1751 -76.3906 53.941 -7.30709 -37.0074 -75.1413 -38.6664 -35.6841 TIMING: 551600 CPU: 1655.67, 0.00302252/step Wall: 1655.67, 0.00302252/step, 3.73483 hours remaining, 207.285156 MB of memory in use. ENERGY: 551600 731.3832 2059.6554 1949.9988 114.2373 -206102.8839 17987.7790 0.0000 0.0000 34662.8155 -148597.0145 302.7190 -183259.8300 -148501.2647 300.5932 67.0980 98.2835 559382.0160 -0.6333 -0.5349 PRESSURE: 551800 -116.08 33.4827 97.9978 33.4819 -10.1432 175.615 97.9985 175.616 -121.938 GPRESSURE: 551800 -52.497 86.4391 145.29 -24.1876 -21.108 290.701 97.8148 118.429 -87.5473 PRESSAVG: 551800 -11.806 43.3685 -28.5982 43.3684 6.61284 -18.3557 -28.598 -18.3556 -7.83353 GPRESSAVG: 551800 -11.6178 43.9004 -29.0658 44.8961 6.81525 -17.839 -29.982 -19.8321 -8.59 TIMING: 551800 CPU: 1656.28, 0.00302482/step Wall: 1656.28, 0.00302482/step, 3.7375 hours remaining, 207.285156 MB of memory in use. ENERGY: 551800 753.1100 2040.4244 1951.5878 100.6825 -205716.5999 17783.4632 0.0000 0.0000 34390.3054 -148697.0266 300.3391 -183087.3320 -148599.0446 300.5608 -82.7202 -53.7174 558657.6159 -4.3422 -4.4642 PRESSURE: 552000 -48.696 39.9886 46.6288 39.9896 -39.4589 23.0309 46.6284 23.0316 185.59 GPRESSURE: 552000 27.8734 -8.88763 51.8438 24.3162 -15.4543 1.28842 5.4601 3.66009 186.377 PRESSAVG: 552000 -67.8581 55.0171 32.0693 55.0172 1.18629 22.6023 32.0692 22.6022 51.1817 GPRESSAVG: 552000 -67.6086 54.988 31.7237 54.2174 1.87696 21.0849 32.9655 23.4935 50.7675 TIMING: 552000 CPU: 1656.88, 0.00303711/step Wall: 1656.88, 0.00303711/step, 3.75252 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: 552000 710.7075 2054.5273 1967.5259 115.9047 -205907.3262 17899.6014 0.0000 0.0000 34400.5886 -148758.4708 300.4289 -183159.0594 -148657.8332 300.1771 32.4785 66.2653 558675.1814 -5.1634 -4.9880 PRESSURE: 552200 50.8218 104.744 89.7892 104.741 114.341 -83.1026 89.7894 -83.1028 -100.29 GPRESSURE: 552200 80.9277 69.8171 69.5345 151.596 124.601 -59.9456 74.9178 -135.642 -37.0159 PRESSAVG: 552200 -46.9952 -13.9479 -27.6779 -13.9479 42.7994 15.6433 -27.6778 15.6432 -25.8852 GPRESSAVG: 552200 -47.947 -12.6087 -27.122 -14.163 42.4487 15.4962 -27.9875 16.125 -24.4408 TIMING: 552200 CPU: 1657.49, 0.00303836/step Wall: 1657.49, 0.00303836/step, 3.7539 hours remaining, 207.285156 MB of memory in use. ENERGY: 552200 739.3729 2076.5534 1976.8747 127.3013 -205905.3884 17719.8432 0.0000 0.0000 34592.2017 -148673.2411 302.1023 -183265.4428 -148581.0264 300.6011 21.6241 56.1709 558621.1663 -10.0270 -9.9797 LDB: ============= START OF LOAD BALANCING ============== 1661.01 LDB: ============== END OF LOAD BALANCING =============== 1661.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1661.02 LDB: ============= START OF LOAD BALANCING ============== 1661.32 LDB: Largest compute 4800 load 0.030471 is 25.8% of average load 0.117877 LDB: Average compute 0.001738 is 1.5% of average load 0.117877 LDB: TIME 1661.32 LOAD: AVG 0.117877 MAX 0.21246 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.766 MB LDB: TIME 1661.32 LOAD: AVG 0.117877 MAX 0.21246 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.969 MB LDB: TIME 1661.32 LOAD: AVG 0.117877 MAX 0.21246 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.969 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1661.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1661.33 PRESSURE: 552400 104.918 -39.3232 116.594 -39.3218 84.7906 -13.2959 116.594 -13.2943 -131.7 GPRESSURE: 552400 166.075 -33.6887 163.736 -28.5529 140.255 -4.68195 38.7649 -92.2826 -146.571 PRESSAVG: 552400 14.0398 21.5827 19.1277 21.5826 17.2985 -50.1696 19.1277 -50.1698 -43.6159 GPRESSAVG: 552400 14.4749 22.8305 18.1747 19.7886 16.7264 -49.3112 18.5253 -50.5861 -44.2193 TIMING: 552400 CPU: 1658.11, 0.00310317/step Wall: 1658.11, 0.00310317/step, 3.83379 hours remaining, 206.511719 MB of memory in use. ENERGY: 552400 758.5835 2082.7908 1938.8873 112.1107 -205694.2984 17778.9483 0.0000 0.0000 34424.9881 -148597.9897 300.6420 -183022.9778 -148503.0652 301.0217 19.3364 53.2529 557213.3998 -4.0925 -4.3393 PRESSURE: 552600 -92.7192 -79.7533 140.673 -79.7523 -290.474 125.793 140.674 125.795 -57.7513 GPRESSURE: 552600 -86.6648 -90.7404 98.1257 -122.724 -269.681 105.303 104.136 107.388 27.997 PRESSAVG: 552600 -22.8408 -0.0249551 27.5182 -0.0248715 -12.0987 -26.5218 27.5183 -26.5218 19.3486 GPRESSAVG: 552600 -22.4402 -0.576493 27.1044 3.79471 -12.8313 -27.5275 27.1876 -26.6101 19.6925 TIMING: 552600 CPU: 1658.72, 0.00304381/step Wall: 1658.72, 0.00304381/step, 3.76029 hours remaining, 206.511719 MB of memory in use. ENERGY: 552600 802.6142 2095.9073 1951.7005 120.0323 -205707.3477 17449.8677 0.0000 0.0000 34545.7661 -148741.4595 301.6968 -183287.2256 -148639.9152 300.8105 -146.9815 -109.4496 556941.4055 -5.1970 -5.1930 PRESSURE: 552800 -288.206 -66.9028 147.138 -66.902 113.264 -104.018 147.138 -104.016 -140.373 GPRESSURE: 552800 -239.868 -123.643 162.832 -45.3577 149.143 -127.896 75.2883 -157.073 -119.842 PRESSAVG: 552800 -4.80961 0.763383 27.4444 0.763334 -1.88442 -26.241 27.4444 -26.2409 34.1387 GPRESSAVG: 552800 -4.97748 0.222461 28.0687 -1.43851 -0.652448 -25.2134 26.7814 -26.3305 33.8366 TIMING: 552800 CPU: 1659.33, 0.00304974/step Wall: 1659.33, 0.00304974/step, 3.76744 hours remaining, 206.511719 MB of memory in use. ENERGY: 552800 762.0891 2107.5574 1944.0548 124.5113 -205848.6714 17653.3661 0.0000 0.0000 34498.3574 -148758.7353 301.2827 -183257.0927 -148655.3939 300.5977 -105.1053 -70.1889 559104.8162 9.1482 9.4022 PRESSURE: 553000 -20.9588 39.3293 -67.0684 39.3278 -70.7942 -63.5205 -67.0671 -63.5207 124.201 GPRESSURE: 553000 21.9212 81.0999 -69.8966 -74.5561 -47.5815 -73.5749 48.093 -41.7047 162.22 PRESSAVG: 553000 -45.2407 18.0352 -17.4101 18.0351 -15.227 17.0575 -17.4102 17.0574 21.2608 GPRESSAVG: 553000 -44.4115 17.5759 -19.4295 19.2352 -15.7065 13.6962 -15.0901 18.9849 21.1074 TIMING: 553000 CPU: 1659.94, 0.00303393/step Wall: 1659.94, 0.00303393/step, 3.74774 hours remaining, 206.511719 MB of memory in use. ENERGY: 553000 759.6850 2118.9019 1934.7241 114.1485 -205923.7478 17740.9928 0.0000 0.0000 34421.2557 -148834.0398 300.6094 -183255.2955 -148739.6055 300.1444 10.8160 45.5199 558283.0440 -13.0690 -13.0035 PRESSURE: 553200 -231.692 4.72953 61.8801 4.72989 -44.5999 114.549 61.8807 114.551 -523.708 GPRESSURE: 553200 -208.518 -6.21372 51.6479 -4.19302 -99.2072 213.278 98.1462 87.483 -398.246 PRESSAVG: 553200 -2.03963 32.4258 57.5313 32.4259 62.7201 -35.0341 57.5312 -35.0342 -27.7383 GPRESSAVG: 553200 -2.66534 31.4986 60.9848 32.8573 62.7022 -33.1367 56.0008 -35.2721 -26.8965 TIMING: 553200 CPU: 1660.54, 0.00300386/step Wall: 1660.54, 0.00300386/step, 3.71044 hours remaining, 206.511719 MB of memory in use. ENERGY: 553200 771.0303 2062.8294 1934.6468 117.8335 -206135.5603 17626.6233 0.0000 0.0000 34504.3248 -149118.2722 301.3348 -183622.5970 -149017.5573 299.7705 -266.6666 -235.3236 559217.3145 10.9807 11.0468 PRESSURE: 553400 47.5378 -5.99333 -39.7344 -5.99412 5.1162 165.272 -39.7358 165.271 -27.0575 GPRESSURE: 553400 61.6704 -1.7084 -75.4298 -29.9238 44.6134 129.129 -89.7194 135.677 7.7033 PRESSAVG: 553400 13.3423 45.0775 37.6238 45.0776 1.89757 47.489 37.6238 47.489 -12.9446 GPRESSAVG: 553400 13.3906 47.5406 36.4845 43.8962 2.20674 46.2209 38.7482 47.0495 -14.0842 TIMING: 553400 CPU: 1661.14, 0.00300612/step Wall: 1661.14, 0.00300612/step, 3.71307 hours remaining, 206.511719 MB of memory in use. ENERGY: 553400 733.0238 2126.1535 1971.1795 124.5025 -205949.1122 17729.2927 0.0000 0.0000 34263.4148 -149001.5453 299.2309 -183264.9601 -148907.5153 299.5706 8.5322 37.9957 557881.6679 0.7651 0.5044 PRESSURE: 553600 -92.0089 -168.864 -66.9112 -168.864 -90.5605 88.5968 -66.9122 88.5974 -28.6185 GPRESSURE: 553600 -48.9602 -92.3983 -13.2701 -184.169 -88.3077 94.0534 -72.1504 98.7296 11.3452 PRESSAVG: 553600 40.4066 47.3042 -32.2156 47.3043 -31.9506 -5.91725 -32.2156 -5.91727 -2.4207 GPRESSAVG: 553600 41.2748 45.1388 -33.459 49.7819 -32.2113 -4.29897 -31.9938 -7.92211 -3.04213 TIMING: 553600 CPU: 1661.75, 0.00304087/step Wall: 1661.75, 0.00304087/step, 3.75582 hours remaining, 206.511719 MB of memory in use. ENERGY: 553600 737.1664 2115.3193 1967.6984 118.2817 -205900.0746 17700.4683 0.0000 0.0000 34303.5889 -148957.5517 299.5818 -183261.1406 -148858.9581 300.2394 -70.3959 -41.9742 557523.3675 2.0117 2.0071 PRESSURE: 553800 60.9912 -24.5523 190.417 -24.5527 118.401 -265.336 190.417 -265.337 86.7208 GPRESSURE: 553800 71.6151 -13.54 125.724 -48.2154 150.246 -148.702 212.36 -246.118 133.064 PRESSAVG: 553800 26.3825 -26.5297 -28.8742 -26.5298 22.0572 -41.08 -28.8743 -41.0801 -67.7114 GPRESSAVG: 553800 24.9222 -25.2987 -28.58 -29.0544 22.9463 -39.7445 -27.7307 -38.9725 -67.2848 TIMING: 553800 CPU: 1662.36, 0.00304871/step Wall: 1662.36, 0.00304871/step, 3.76532 hours remaining, 206.511719 MB of memory in use. ENERGY: 553800 765.9301 2070.7184 1961.3451 139.8027 -205941.4272 17851.9280 0.0000 0.0000 34268.2191 -148883.4838 299.2729 -183151.7029 -148779.4387 300.2074 88.7045 118.3082 556265.2991 -6.4239 -6.4721 PRESSURE: 554000 -253.506 126.162 46.1924 126.161 -22.9791 82.1659 46.1929 82.1667 28.7349 GPRESSURE: 554000 -149.759 179.182 69.0018 104.994 -13.0638 80.4524 14.1885 90.7792 13.0807 PRESSAVG: 554000 38.1838 32.0135 24.3799 32.0135 11.8671 -56.5476 24.3799 -56.5476 25.4437 GPRESSAVG: 554000 37.9431 33.0177 24.1759 33.3995 10.0513 -57.1385 24.3685 -56.7532 27.2311 TIMING: 554000 CPU: 1662.96, 0.00303605/step Wall: 1662.96, 0.00303605/step, 3.74953 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: 554000 769.8597 2011.6168 1950.7473 111.6469 -205753.9915 17499.2934 0.0000 0.0000 34313.7444 -149097.0831 299.6705 -183410.8274 -148988.3081 299.9994 -82.5833 -49.9140 556180.4761 25.1649 25.0752 PRESSURE: 554200 -121.369 -41.0907 133.096 -41.091 -245.502 60.5455 133.096 60.5444 -276.178 GPRESSURE: 554200 -114.88 -35.2471 88.7168 128.833 -167.791 90.205 96.2525 69.735 -274.717 PRESSAVG: 554200 65.2587 60.3412 -48.4341 60.3411 -12.2339 14.1647 -48.4342 14.1647 -15.7903 GPRESSAVG: 554200 66.1131 58.6729 -45.6895 59.8314 -10.5371 14.908 -48.6873 12.142 -18.3527 TIMING: 554200 CPU: 1663.56, 0.00299937/step Wall: 1663.56, 0.00299937/step, 3.70405 hours remaining, 206.511719 MB of memory in use. ENERGY: 554200 738.3223 2126.5430 1956.5271 104.9854 -205986.1537 17666.9420 0.0000 0.0000 34293.5542 -149099.2797 299.4941 -183392.8339 -149005.0707 299.8756 -214.3495 -185.7959 556938.6573 12.4115 12.4078 PRESSURE: 554400 -30.8981 56.7833 -33.0798 56.7836 165.808 24.5439 -33.079 24.5444 199.739 GPRESSURE: 554400 19.4009 37.1224 -44.8926 90.919 127.357 71.6367 -23.6929 -3.03607 274.326 PRESSAVG: 554400 -21.573 -40.8546 -27.0351 -40.8546 24.5243 6.38579 -27.035 6.38576 28.0202 GPRESSAVG: 554400 -21.009 -39.9568 -30.1661 -42.5859 22.4639 3.56364 -28.4901 7.62361 30.0865 TIMING: 554400 CPU: 1664.16, 0.00298794/step Wall: 1664.16, 0.00298794/step, 3.68977 hours remaining, 206.511719 MB of memory in use. ENERGY: 554400 785.1885 2143.4079 1965.6113 117.8149 -206435.8830 17994.3981 0.0000 0.0000 34250.5768 -149178.8854 299.1188 -183429.4622 -149080.8402 299.1637 111.5495 140.3613 557169.0468 10.3239 10.5138 PRESSURE: 554600 68.7067 -123.295 164.751 -123.294 128.898 -92.2325 164.751 -92.2345 153.985 GPRESSURE: 554600 106.618 -74.846 201.071 -96.5114 180.184 -152.132 139.766 4.41141 144.709 PRESSAVG: 554600 29.8265 -8.36142 -17.135 -8.36146 -38.564 15.7671 -17.135 15.767 -2.79909 GPRESSAVG: 554600 29.7126 -9.29513 -16.3194 -7.65035 -37.9816 17.8198 -15.8935 17.1764 -3.42364 TIMING: 554600 CPU: 1664.77, 0.00303553/step Wall: 1664.77, 0.00303553/step, 3.74838 hours remaining, 206.511719 MB of memory in use. ENERGY: 554600 780.4498 2097.4527 1942.9783 112.5904 -206110.6682 17846.3193 0.0000 0.0000 34191.7074 -149139.1703 298.6047 -183330.8777 -149036.6522 299.2141 117.1964 143.8370 556553.4302 -3.8455 -3.8976 PRESSURE: 554800 -19.584 20.8062 -87.6206 20.8077 189.077 -35.433 -87.6209 -35.4324 -18.2392 GPRESSURE: 554800 -31.6261 16.9075 -184.432 25.2704 196.297 -38.3534 -74.6051 -72.4914 84.246 PRESSAVG: 554800 -61.5965 -22.5718 3.93085 -22.5718 -12.884 77.0373 3.93086 77.0373 71.9949 GPRESSAVG: 554800 -62.0055 -23.6224 5.68466 -21.7653 -11.2337 76.4159 1.81928 75.2388 71.2271 TIMING: 554800 CPU: 1665.38, 0.00304908/step Wall: 1665.38, 0.00304908/step, 3.76494 hours remaining, 206.511719 MB of memory in use. ENERGY: 554800 727.5840 2063.1567 1945.8183 116.5202 -206310.2323 17932.9177 0.0000 0.0000 34420.5425 -149103.6929 300.6032 -183524.2354 -149005.5431 298.9277 50.4180 82.9724 557879.3065 -0.8285 -0.6707 PRESSURE: 555000 32.4105 -99.9665 -123.05 -99.9667 55.5117 -134.419 -123.05 -134.419 148.105 GPRESSURE: 555000 97.0837 -99.0805 -123.219 -29.7866 102.049 -37.3266 -176.394 -231.047 154.085 PRESSAVG: 555000 -21.4911 -13.6518 -12.3245 -13.6519 -42.4683 39.9031 -12.3244 39.9031 55.9858 GPRESSAVG: 555000 -21.6631 -11.1902 -13.7433 -13.7969 -42.0518 40.0588 -11.3614 41.5803 55.5825 TIMING: 555000 CPU: 1665.99, 0.00305383/step Wall: 1665.99, 0.00305383/step, 3.77063 hours remaining, 206.511719 MB of memory in use. ENERGY: 555000 776.8850 2040.2344 1962.9458 116.3462 -206660.5548 18257.4281 0.0000 0.0000 34402.7689 -149103.9464 300.4479 -183506.7153 -149005.8812 299.6784 78.6757 117.7390 557762.9229 -2.6579 -2.7108 PRESSURE: 555200 59.7613 131.914 3.98233 131.915 -159.772 115.549 3.9831 115.548 -328.059 GPRESSURE: 555200 79.0383 194.18 69.95 34.5304 -148.358 222.706 -31.3301 67.62 -265.913 PRESSAVG: 555200 -4.74947 -16.7246 9.30889 -16.7246 25.2742 3.62997 9.30889 3.62994 32.0208 GPRESSAVG: 555200 -4.09498 -18.8905 10.6394 -16.5544 24.0898 3.18494 10.3281 0.475334 32.9661 TIMING: 555200 CPU: 1666.6, 0.00306362/step Wall: 1666.6, 0.00306362/step, 3.78255 hours remaining, 206.511719 MB of memory in use. ENERGY: 555200 740.3140 2081.7793 1929.5735 116.0540 -205895.6680 17752.5363 0.0000 0.0000 34314.4703 -148960.9405 299.6768 -183275.4108 -148856.2734 299.5922 -142.6900 -111.7444 559798.1275 17.5152 17.6537 PRESSURE: 555400 -89.7698 11.5919 -237.499 11.5916 -106.929 -79.4023 -237.499 -79.4026 -14.1565 GPRESSURE: 555400 -86.9831 38.1823 -237.421 39.7189 -35.7489 -64.1352 -202.081 -56.0623 13.8814 PRESSAVG: 555400 18.0359 5.07172 -81.3685 5.07171 -37.7289 1.53793 -81.3685 1.53799 25.4375 GPRESSAVG: 555400 18.9293 5.45934 -81.4049 5.08442 -37.3002 2.23467 -82.3342 1.97922 24.7212 TIMING: 555400 CPU: 1667.2, 0.00300206/step Wall: 1667.2, 0.00300206/step, 3.70638 hours remaining, 206.511719 MB of memory in use. ENERGY: 555400 764.3438 2074.6289 1937.5310 118.5751 -205955.5326 17757.8119 0.0000 0.0000 34057.2309 -149245.4110 297.4303 -183302.6418 -149153.3713 299.3960 -70.2852 -36.2836 558739.0137 1.9149 2.1168 PRESSURE: 555600 -158.885 -156.618 -128.117 -156.619 155.626 -70.7629 -128.117 -70.7635 -16.4477 GPRESSURE: 555600 -161.242 -175.952 -189.317 -163.703 162.816 -32.8049 -91.5895 -109.814 70.018 PRESSAVG: 555600 -13.0634 -35.8377 -87.7787 -35.8378 39.0626 -46.4632 -87.7787 -46.4633 -3.8901 GPRESSAVG: 555600 -13.291 -35.1018 -87.7343 -36.3227 39.211 -45.8569 -87.6853 -44.8097 -3.78113 TIMING: 555600 CPU: 1667.8, 0.00300481/step Wall: 1667.8, 0.00300481/step, 3.7096 hours remaining, 206.511719 MB of memory in use. ENERGY: 555600 743.5735 2069.1548 1923.9122 101.2158 -206120.7081 17686.6852 0.0000 0.0000 34301.9359 -149294.2308 299.5673 -183596.1667 -149195.6035 298.8518 -6.5689 23.8642 557405.4456 7.3697 7.3796 PRESSURE: 555800 95.9703 -112.192 48.8211 -112.191 -108.578 -20.5158 48.8212 -20.5151 72.6167 GPRESSURE: 555800 113.512 -113.292 45.3162 -87.794 -58.1769 -124.718 66.6251 -8.45818 105.552 PRESSAVG: 555800 -8.03125 -17.8437 -37.5726 -17.8437 16.898 -53.6003 -37.5726 -53.6003 21.6921 GPRESSAVG: 555800 -7.38825 -19.4071 -35.715 -16.0977 16.1932 -55.0777 -38.6968 -54.1701 21.9021 TIMING: 555800 CPU: 1668.41, 0.00303516/step Wall: 1668.41, 0.00303516/step, 3.7469 hours remaining, 206.511719 MB of memory in use. ENERGY: 555800 741.6783 2139.9958 1945.3981 122.6556 -206323.9866 17933.8261 0.0000 0.0000 34351.9694 -149088.4633 300.0043 -183440.4327 -148995.5535 298.8585 20.0031 53.6290 558047.4020 10.1863 10.2357 PRESSURE: 556000 122.312 99.4485 121.428 99.4506 36.2872 69.5608 121.429 69.5602 80.5533 GPRESSURE: 556000 146.324 109.608 119.79 64.4901 52.7043 27.0183 93.8083 101.831 121.53 PRESSAVG: 556000 32.5458 57.6596 6.91703 57.6598 -42.1463 -20.1718 6.91702 -20.1717 0.349114 GPRESSAVG: 556000 31.8882 57.8618 3.77765 56.1741 -40.3703 -20.1721 7.87171 -19.2456 -0.0479002 TIMING: 556000 CPU: 1669.01, 0.00299812/step Wall: 1669.01, 0.00299812/step, 3.70101 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: 556000 702.9556 2091.9478 1950.9051 114.4232 -205944.9285 17664.6048 0.0000 0.0000 34155.7823 -149264.3096 298.2909 -183420.0919 -149166.6940 298.7718 79.7175 106.8528 556636.2163 -3.0838 -2.8433 PRESSURE: 556200 -50.7078 190.378 -0.0966838 190.378 105.583 39.3356 -0.0969185 39.3377 -52.0251 GPRESSURE: 556200 -46.4576 178.809 50.5025 203.343 123.075 31.9567 9.37394 16.9061 35.1088 PRESSAVG: 556200 7.84335 67.0694 -16.5665 67.0695 -50.0312 5.57632 -16.5665 5.57632 21.5335 GPRESSAVG: 556200 7.703 68.7975 -16.5405 66.9031 -50.4817 3.37095 -15.7142 6.92508 22.6251 TIMING: 556200 CPU: 1669.61, 0.00300507/step Wall: 1669.61, 0.00300507/step, 3.70942 hours remaining, 206.511719 MB of memory in use. ENERGY: 556200 757.1351 2083.1715 1932.7793 113.4170 -206231.4219 17765.6872 0.0000 0.0000 34374.7112 -149204.5207 300.2029 -183579.2319 -149110.7400 298.9023 0.9500 37.2421 556340.9784 -6.8848 -6.7179 LDB: ============= START OF LOAD BALANCING ============== 1673.13 LDB: ============== END OF LOAD BALANCING =============== 1673.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1673.13 LDB: ============= START OF LOAD BALANCING ============== 1673.43 LDB: Largest compute 4800 load 0.028378 is 24.1% of average load 0.117884 LDB: Average compute 0.001735 is 1.5% of average load 0.117884 LDB: TIME 1673.44 LOAD: AVG 0.117884 MAX 0.210912 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.641 MB LDB: TIME 1673.44 LOAD: AVG 0.117884 MAX 0.210912 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.645 MB LDB: TIME 1673.44 LOAD: AVG 0.117884 MAX 0.210912 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.645 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1673.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 1673.44 Info: useSync: 0 useProxySync: 0 PRESSURE: 556400 51.4627 -163.095 -9.94805 -163.096 76.7767 84.6874 -9.94791 84.6869 -157.302 GPRESSURE: 556400 69.5169 -162.318 -62.6362 -33.6906 83.3959 40.6832 82.378 159.897 -90.4238 PRESSAVG: 556400 15.2578 63.8137 1.65572 63.8137 2.72112 11.6062 1.65578 11.6061 -53.3992 GPRESSAVG: 556400 15.1081 62.732 1.80732 65.3651 2.65524 13.5844 0.973902 7.14315 -53.9134 TIMING: 556400 CPU: 1670.23, 0.00306905/step Wall: 1670.23, 0.00306905/step, 3.78823 hours remaining, 207.535156 MB of memory in use. ENERGY: 556400 719.8419 2087.9391 1953.0663 113.0713 -205804.5367 17756.1712 0.0000 0.0000 34156.7086 -149017.7384 298.2990 -183174.4469 -148918.9870 299.4964 -9.6876 20.8297 556179.4516 -11.8068 -12.0500 PRESSURE: 556600 9.92684 -22.7135 -170.936 -22.7141 88.7291 121.131 -170.936 121.13 106.085 GPRESSURE: 556600 86.6788 -18.1955 -197.669 -40.176 92.5742 105.622 -162.105 124.084 125.793 PRESSAVG: 556600 9.63563 37.2185 -60.9757 37.2185 31.04 -5.38046 -60.9757 -5.38047 -13.3375 GPRESSAVG: 556600 11.3528 38.9992 -61.3479 35.0141 30.8306 -5.73328 -59.5003 -1.55543 -14.877 TIMING: 556600 CPU: 1670.82, 0.00299237/step Wall: 1670.82, 0.00299237/step, 3.69341 hours remaining, 207.601562 MB of memory in use. ENERGY: 556600 782.8346 2125.8964 1940.5095 112.5435 -206279.7958 17883.3695 0.0000 0.0000 34469.4621 -148965.1803 301.0304 -183434.6423 -148868.7076 299.8128 68.2470 101.6820 554845.3159 9.1127 9.1021 PRESSURE: 556800 -140.423 113.307 50.652 113.309 -33.8606 225.417 50.6538 225.416 0.397489 GPRESSURE: 556800 -137.031 46.5019 53.5613 91.4623 25.641 184.027 -9.69092 211.243 14.6348 PRESSAVG: 556800 -62.8737 64.0061 -1.35261 64.0062 -20.1055 -3.25506 -1.35257 -3.25512 59.8905 GPRESSAVG: 556800 -63.2951 62.4162 0.626373 64.6624 -21.701 -4.05426 -3.49742 -4.84907 62.1686 TIMING: 556800 CPU: 1671.42, 0.00297955/step Wall: 1671.42, 0.00297955/step, 3.67743 hours remaining, 207.601562 MB of memory in use. ENERGY: 556800 729.9668 2149.5766 1948.4892 119.7334 -206049.4963 17852.1373 0.0000 0.0000 34399.5615 -148850.0316 300.4199 -183249.5931 -148746.3636 300.2176 -57.9620 -32.2518 556836.9986 -7.6962 -7.6092 PRESSURE: 557000 -257.288 -31.1171 75.4647 -31.1173 -113.3 -2.4895 75.4653 -2.48809 -88.0174 GPRESSURE: 557000 -230.873 -35.4491 48.092 -42.5774 -89.8976 9.28074 26.2656 -1.35821 -41.4592 PRESSAVG: 557000 20.3818 8.47317 7.88524 8.47316 -3.42324 -32.9676 7.88526 -32.9675 7.78175 GPRESSAVG: 557000 19.9972 8.94349 7.52373 7.97645 -1.09274 -30.379 8.10597 -35.3062 6.03191 TIMING: 557000 CPU: 1672.01, 0.0029592/step Wall: 1672.01, 0.0029592/step, 3.65215 hours remaining, 207.601562 MB of memory in use. ENERGY: 557000 739.8045 2069.1911 1943.0821 108.5736 -205542.2820 17476.1022 0.0000 0.0000 34282.4592 -148923.0691 299.3972 -183205.5283 -148822.8145 299.9092 -152.8686 -120.7434 558955.1465 8.2468 8.3121 PRESSURE: 557200 -65.3178 -66.3121 -52.9443 -66.3111 -148.263 2.16087 -52.9431 2.16046 -225.962 GPRESSURE: 557200 -81.6046 -72.9943 -19.7796 28.4396 -90.796 65.1942 -21.9084 13.5003 -178.317 PRESSAVG: 557200 37.1161 29.0352 -13.8003 29.0352 -43.5516 1.45398 -13.8005 1.45394 1.6977 GPRESSAVG: 557200 38.5076 28.3858 -15.1648 31.1178 -45.9157 0.923413 -12.8055 3.79024 3.37544 TIMING: 557200 CPU: 1672.61, 0.00297157/step Wall: 1672.61, 0.00297157/step, 3.66724 hours remaining, 207.601562 MB of memory in use. ENERGY: 557200 765.5601 2079.3565 1923.4393 105.9041 -205983.8828 17812.7700 0.0000 0.0000 34189.2398 -149107.6130 298.5831 -183296.8528 -149012.7188 298.9756 -146.5145 -116.9060 559733.3442 -1.5793 -1.3442 PRESSURE: 557400 -50.4326 -26.8738 -35.9067 -26.8751 -76.7411 -121.018 -35.9068 -121.018 290.607 GPRESSURE: 557400 28.7146 -33.5766 -103.633 45.6089 -16.9927 -109.08 -45.4691 -156.807 256.913 PRESSAVG: 557400 1.62976 41.8472 7.63951 41.8471 -23.1122 -20.463 7.63944 -20.4631 -18.5397 GPRESSAVG: 557400 0.765327 43.0906 8.28781 41.2952 -21.5744 -23.8271 6.15309 -19.3697 -19.4214 TIMING: 557400 CPU: 1673.21, 0.00299978/step Wall: 1673.21, 0.00299978/step, 3.7019 hours remaining, 207.601562 MB of memory in use. ENERGY: 557400 731.2951 2088.2493 1909.9387 98.5222 -206133.1806 17846.0288 0.0000 0.0000 34392.4523 -149066.6941 300.3578 -183459.1464 -148976.2418 299.3175 54.4777 89.5450 557632.6297 -13.3407 -13.4102 PRESSURE: 557600 67.6119 -3.18027 25.2194 -3.18091 203.306 16.7274 25.2203 16.7278 131.154 GPRESSURE: 557600 85.0601 -67.9992 -14.8051 16.853 245.353 -12.9622 -58.2688 -35.4378 173.37 PRESSAVG: 557600 -35.0813 44.9641 15.4086 44.9642 89.0182 -10.8037 15.4087 -10.8037 -36.9054 GPRESSAVG: 557600 -33.9276 43.9954 15.8255 44.6137 88.8536 -10.3431 15.8537 -11.0691 -37.7377 TIMING: 557600 CPU: 1673.81, 0.00299747/step Wall: 1673.81, 0.00299747/step, 3.69888 hours remaining, 207.601562 MB of memory in use. ENERGY: 557600 760.0004 2098.6588 1946.8625 123.4218 -206524.8606 18008.3084 0.0000 0.0000 34436.3368 -149151.2719 300.7411 -183587.6087 -149059.5364 299.7902 134.0238 167.9277 556362.7559 5.6772 5.7294 PRESSURE: 557800 -133.178 -124.621 -174.044 -124.62 -409.25 137.808 -174.044 137.81 -23.0157 GPRESSURE: 557800 -152.643 -83.5911 -133.317 -136.706 -323.049 70.0367 -173.611 204.648 -2.33874 PRESSAVG: 557800 -29.4131 -15.8519 -5.01416 -15.852 4.5098 5.4753 -5.01423 5.4754 29.5124 GPRESSAVG: 557800 -30.8177 -17.0181 -5.81343 -15.5137 3.89566 9.47897 -4.30299 3.49524 31.2751 TIMING: 557800 CPU: 1674.41, 0.00300679/step Wall: 1674.41, 0.00300679/step, 3.71021 hours remaining, 207.601562 MB of memory in use. ENERGY: 557800 717.9679 2035.4158 1930.2123 113.9992 -205730.7128 17454.6299 0.0000 0.0000 34349.3881 -149129.0996 299.9817 -183478.4876 -149035.1472 299.8249 -188.4810 -159.3436 557942.2980 1.5364 1.4510 PRESSURE: 558000 67.3988 -34.9083 -10.361 -34.909 97.6893 -6.54803 -10.3593 -6.54757 -158.918 GPRESSURE: 558000 86.2682 -45.5766 31.8697 28.271 138.973 -37.5254 42.5175 43.6953 -143.005 PRESSAVG: 558000 -1.75656 -44.3278 -47.54 -44.3278 35.6732 102.187 -47.54 102.187 7.82032 GPRESSAVG: 558000 -0.759844 -43.8211 -47.4088 -43.0786 36.4429 99.5775 -47.5721 104.347 5.68528 TIMING: 558000 CPU: 1675.01, 0.00303074/step Wall: 1675.01, 0.00303074/step, 3.73959 hours remaining, 207.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 558000 719.1903 2104.9777 1940.1887 115.0012 -206180.6998 17715.8019 0.0000 0.0000 34382.0185 -149203.5215 300.2667 -183585.5400 -149111.7342 299.5952 2.0566 27.4120 556768.2538 13.9123 13.7894 PRESSURE: 558200 80.1407 68.1318 -113.512 68.1308 17.3978 11.6065 -113.512 11.6071 99.1917 GPRESSURE: 558200 152.553 96.2287 -35.9509 71.3558 64.96 13.9937 -156.225 -21.4942 72.5135 PRESSAVG: 558200 -75.873 -16.7534 -20.3576 -16.7535 72.98 47.3263 -20.3575 47.3263 7.42328 GPRESSAVG: 558200 -77.458 -15.2041 -19.6211 -19.2927 74.086 46.9992 -20.4752 47.091 8.05038 TIMING: 558200 CPU: 1675.62, 0.00303559/step Wall: 1675.62, 0.00303559/step, 3.74541 hours remaining, 207.859375 MB of memory in use. ENERGY: 558200 723.2976 2076.6092 1943.9756 107.3220 -206030.9301 17779.4440 0.0000 0.0000 34231.3483 -149168.9334 298.9509 -183400.2818 -149070.4470 299.7627 65.5767 96.6754 557852.4378 1.5101 1.5595 PRESSURE: 558400 117.757 77.129 11.1981 77.1283 -23.5672 -22.702 11.1981 -22.7031 -28.8575 GPRESSURE: 558400 171.366 68.1031 -75.659 30.4079 -40.5048 -40.3372 62.9781 -69.5458 40.8055 PRESSAVG: 558400 32.6751 20.6405 -2.67413 20.6405 -18.3174 -27.2246 -2.67415 -27.2247 6.47342 GPRESSAVG: 558400 33.1118 20.6616 -4.60977 19.1964 -18.8804 -27.6894 -2.95961 -27.3273 6.57451 TIMING: 558400 CPU: 1676.23, 0.00305037/step Wall: 1676.23, 0.00305037/step, 3.76348 hours remaining, 207.859375 MB of memory in use. ENERGY: 558400 757.8603 2029.2748 1936.1641 128.7738 -206433.2496 18025.7275 0.0000 0.0000 34186.6537 -149368.7954 298.5605 -183555.4490 -149279.0518 299.5499 21.7775 57.2222 559424.6418 6.9437 6.9353 PRESSURE: 558600 64.2422 11.3059 28.1304 11.3057 15.6045 19.3891 28.1301 19.3903 -173.673 GPRESSURE: 558600 124.058 29.8113 24.2251 -15.0504 86.39 3.96926 -9.31323 10.9786 -195.626 PRESSAVG: 558600 -25.7233 -35.4196 5.7349 -35.4196 14.765 64.5255 5.73486 64.5256 10.5991 GPRESSAVG: 558600 -25.2043 -34.8315 6.20812 -34.7754 14.5227 66.3733 7.59948 64.4897 10.7296 TIMING: 558600 CPU: 1676.83, 0.00301701/step Wall: 1676.83, 0.00301701/step, 3.72215 hours remaining, 207.859375 MB of memory in use. ENERGY: 558600 769.6679 2032.2433 1954.5194 123.5788 -206463.4936 18013.0739 0.0000 0.0000 34133.9116 -149436.4987 298.0999 -183570.4103 -149341.1001 298.8882 -31.2755 4.9406 556167.5618 -0.1197 0.0160 PRESSURE: 558800 -73.0323 -55.896 67.4111 -55.8964 -51.4619 -91.0846 67.4096 -91.0839 98.5783 GPRESSURE: 558800 -68.7413 48.374 170.478 -37.6871 -32.7775 -93.0634 -19.1485 -64.4576 184.568 PRESSAVG: 558800 -47.1477 -4.95436 -0.478547 -4.9543 57.2093 41.7982 -0.478566 41.7982 2.92316 GPRESSAVG: 558800 -47.0878 -6.65078 1.23732 -2.63303 57.7522 39.362 -4.52045 42.6241 2.9391 TIMING: 558800 CPU: 1677.44, 0.00302156/step Wall: 1677.44, 0.00302156/step, 3.7276 hours remaining, 207.859375 MB of memory in use. ENERGY: 558800 692.8689 2024.6962 1960.8687 119.8726 -206107.5935 17650.2943 0.0000 0.0000 34327.3830 -149331.6099 299.7896 -183658.9929 -149240.1880 299.0844 -8.6386 27.6830 556773.1838 4.3283 4.5345 PRESSURE: 559000 -24.6819 62.2356 10.0673 62.2362 -239.246 -64.178 10.0675 -64.1801 -141.83 GPRESSURE: 559000 27.296 41.6716 4.07672 29.3349 -244.728 -57.1036 26.4076 -82.5015 -105.092 PRESSAVG: 559000 -49.3943 8.67207 4.12441 8.67198 -19.7481 -33.8565 4.12434 -33.8565 26.2513 GPRESSAVG: 559000 -49.9444 10.7806 2.38461 7.41018 -19.4841 -32.8624 6.55944 -34.1797 26.515 TIMING: 559000 CPU: 1678.05, 0.00304514/step Wall: 1678.05, 0.00304514/step, 3.75652 hours remaining, 207.859375 MB of memory in use. ENERGY: 559000 749.5917 2002.8426 1952.5192 108.1293 -205898.5095 17556.9734 0.0000 0.0000 34119.6894 -149408.7639 297.9757 -183528.4533 -149311.4103 299.2028 -135.2526 -107.5079 557755.5349 -14.2970 -14.3045 PRESSURE: 559200 -227.633 -59.0745 240.908 -59.0734 198.717 -200.539 240.908 -200.54 0.635696 GPRESSURE: 559200 -207.74 -159.068 242.68 -18.2875 258.898 -178.701 201.479 -166.217 22.1557 PRESSAVG: 559200 -13.5134 -10.1102 21.0721 -10.1103 22.7418 -20.3525 21.0722 -20.3524 10.777 GPRESSAVG: 559200 -12.6253 -10.534 21.5827 -10.6462 22.3636 -18.7063 19.9543 -21.1735 10.2708 TIMING: 559200 CPU: 1678.65, 0.0030062/step Wall: 1678.65, 0.0030062/step, 3.70832 hours remaining, 207.859375 MB of memory in use. ENERGY: 559200 756.2931 2025.8290 1906.8729 115.6679 -206147.3874 17749.5058 0.0000 0.0000 34370.5175 -149222.7011 300.1663 -183593.2186 -149116.4053 298.9734 -9.4267 24.4381 557687.4706 6.6685 6.6697 PRESSURE: 559400 -140.116 48.1928 -67.0495 48.1928 86.2158 -3.45431 -67.0495 -3.45443 196.822 GPRESSURE: 559400 -97.8452 89.855 -49.3529 17.8551 123.908 -74.9231 -64.4745 -21.92 200.55 PRESSAVG: 559400 -48.5288 0.019866 -48.2327 0.0197616 22.356 -79.1641 -48.2327 -79.1641 5.46309 GPRESSAVG: 559400 -49.058 0.0607901 -45.5444 -0.769674 23.2274 -79.0554 -48.7129 -78.3637 4.54267 TIMING: 559400 CPU: 1679.25, 0.00301145/step Wall: 1679.25, 0.00301145/step, 3.71463 hours remaining, 207.859375 MB of memory in use. ENERGY: 559400 748.8608 2040.5910 1964.4427 109.4405 -206390.7180 17906.6037 0.0000 0.0000 34376.9797 -149243.7997 300.2227 -183620.7794 -149150.8110 299.1277 47.6405 75.5377 557105.2784 -6.9032 -7.0960 PRESSURE: 559600 144.156 132.243 -132.631 132.243 -42.8464 -65.4253 -132.63 -65.4234 92.4209 GPRESSURE: 559600 145.403 126.88 -47.1783 149.535 -6.0709 -28.8002 -182.394 -79.798 164.038 PRESSAVG: 559600 -13.3534 75.679 -3.51546 75.679 -61.6549 -18.5076 -3.51552 -18.5076 46.2519 GPRESSAVG: 559600 -13.4322 74.9757 -5.2038 76.6438 -61.6211 -18.43 -1.23624 -18.3716 46.5282 TIMING: 559600 CPU: 1679.86, 0.00305068/step Wall: 1679.86, 0.00305068/step, 3.76284 hours remaining, 207.859375 MB of memory in use. ENERGY: 559600 748.5386 2019.7588 1946.2167 100.3009 -206366.1291 17952.1382 0.0000 0.0000 34405.2064 -149193.9696 300.4692 -183599.1760 -149093.0368 299.1863 64.5768 101.1233 556668.9810 -9.5855 -9.5084 PRESSURE: 559800 118.77 -33.4193 4.66755 -33.4203 159.33 -9.03956 4.66899 -9.03731 67.2331 GPRESSURE: 559800 172.469 -13.9757 17.0775 -28.8505 179.911 -10.3839 -11.1437 -28.8752 86.9461 PRESSAVG: 559800 -51.7926 -34.6138 4.34091 -34.6139 -6.03201 1.42701 4.34099 1.42697 69.2857 GPRESSAVG: 559800 -51.3215 -34.504 2.11341 -33.523 -6.97506 1.88467 2.83747 0.603177 69.2796 TIMING: 559800 CPU: 1680.47, 0.00305822/step Wall: 1680.47, 0.00305822/step, 3.77197 hours remaining, 207.859375 MB of memory in use. ENERGY: 559800 739.4773 2029.4632 1938.1159 108.4410 -206154.7413 17909.2951 0.0000 0.0000 34394.1057 -149035.8431 300.3723 -183429.9488 -148945.6612 299.3148 115.1112 146.4422 557275.3602 3.8204 3.6610 PRESSURE: 560000 -66.9864 172.262 -2.00958 172.262 55.1155 64.6879 -2.01034 64.6883 -28.5537 GPRESSURE: 560000 -24.0715 194.834 41.0873 161.667 97.5457 60.8786 -8.92392 91.7467 -18.2094 PRESSAVG: 560000 16.1077 -25.2877 -59.8896 -25.2878 1.47114 66.7657 -59.8895 66.7658 23.4619 GPRESSAVG: 560000 16.8094 -23.431 -58.2564 -25.4961 0.576466 65.9707 -59.0478 66.8036 23.8562 TIMING: 560000 CPU: 1681.08, 0.00303757/step Wall: 1681.08, 0.00303757/step, 3.74633 hours remaining, 207.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 560000 743.9200 2029.0849 1921.2844 103.4910 -205789.4308 17619.1627 0.0000 0.0000 34311.4615 -149061.0263 299.6505 -183372.4878 -148958.8044 299.3270 -13.4749 18.4216 557097.1322 13.6802 13.7474 PRESSURE: 560200 82.1827 -40.3332 49.5384 -40.3332 -273.844 -193.185 49.539 -193.184 61.417 GPRESSURE: 560200 132.59 -67.1251 58.7219 -69.8001 -230.54 -252.165 61.4792 -186.139 53.8726 PRESSAVG: 560200 -1.86093 18.4022 -4.6027 18.4021 -34.4237 -38.5355 -4.60272 -38.5355 43.7754 GPRESSAVG: 560200 -3.97552 16.8494 -4.33856 18.2133 -33.351 -37.7783 -5.11581 -38.2279 44.9103 TIMING: 560200 CPU: 1681.69, 0.00303861/step Wall: 1681.69, 0.00303861/step, 3.74744 hours remaining, 207.859375 MB of memory in use. ENERGY: 560200 773.8445 2084.4582 1938.6965 115.9229 -205750.9764 17616.2312 0.0000 0.0000 34047.3625 -149174.4605 297.3441 -183221.8230 -149083.8644 298.9938 -43.4149 -14.6927 557497.3519 2.4969 2.5279 LDB: ============= START OF LOAD BALANCING ============== 1685.21 LDB: ============== END OF LOAD BALANCING =============== 1685.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1685.21 LDB: ============= START OF LOAD BALANCING ============== 1685.51 LDB: Largest compute 4800 load 0.028615 is 24.3% of average load 0.117829 LDB: Average compute 0.001736 is 1.5% of average load 0.117829 LDB: TIME 1685.52 LOAD: AVG 0.117829 MAX 0.210321 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.59 MB LDB: TIME 1685.52 LOAD: AVG 0.117829 MAX 0.210321 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.793 MB LDB: TIME 1685.52 LOAD: AVG 0.117829 MAX 0.210321 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.793 MB LDB: ============== END OF LOAD BALANCING =============== 1685.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1685.52 PRESSURE: 560400 -40.0887 145.16 4.95886 145.16 -273.771 -161.904 4.95801 -161.904 -383.582 GPRESSURE: 560400 -37.6652 141.594 -3.98954 141.502 -179.999 -183.112 27.1365 -221.71 -385.596 PRESSAVG: 560400 68.865 33.1796 -19.1964 33.1796 -27.8829 -24.9534 -19.1965 -24.9535 -49.4292 GPRESSAVG: 560400 70.3984 31.1236 -20.0783 34.2346 -28.6027 -26.003 -18.9787 -24.3983 -49.7812 TIMING: 560400 CPU: 1682.31, 0.00309211/step Wall: 1682.31, 0.00309211/step, 3.81326 hours remaining, 206.351562 MB of memory in use. ENERGY: 560400 750.1127 2058.6004 1925.8166 114.2097 -205996.4942 17646.2598 0.0000 0.0000 34374.5607 -149126.9341 300.2016 -183501.4949 -149033.0241 298.9885 -232.4806 -201.0865 558400.8051 -2.8157 -2.6619 PRESSURE: 560600 30.7778 31.1675 63.0388 31.169 257.179 -47.6876 63.0386 -47.6887 -99.5269 GPRESSURE: 560600 30.896 100.946 60.4534 19.0266 289.168 -74.1282 50.1979 -80.4452 -31.3253 PRESSAVG: 560600 -53.5243 37.1644 42.4523 37.1646 10.9196 -15.1652 42.4523 -15.1652 23.8675 GPRESSAVG: 560600 -54.1219 38.0774 44.404 35.5845 11.2933 -15.5868 42.0283 -17.0742 23.9586 TIMING: 560600 CPU: 1682.92, 0.00305509/step Wall: 1682.92, 0.0030551/step, 3.76744 hours remaining, 206.812500 MB of memory in use. ENERGY: 560600 725.8866 2088.4126 1937.9412 110.1295 -206106.2274 17886.2608 0.0000 0.0000 34145.7122 -149211.8846 298.2030 -183357.5968 -149116.4974 298.6761 62.8100 96.2462 558774.6559 -6.2457 -6.2900 PRESSURE: 560800 97.7764 71.8402 88.7422 71.8393 144.189 -106.109 88.7423 -106.111 32.1596 GPRESSURE: 560800 172.456 -1.62518 80.4334 61.0692 179.341 -54.0446 84.437 -112.694 13.1631 PRESSAVG: 560800 -20.2445 1.012 -16.6959 1.01198 48.3538 -23.7603 -16.6958 -23.7603 -8.7781 GPRESSAVG: 560800 -20.5317 2.97075 -18.2496 1.65367 48.3675 -25.5119 -17.1731 -20.7371 -8.31048 TIMING: 560800 CPU: 1683.52, 0.00302364/step Wall: 1683.52, 0.00302364/step, 3.72849 hours remaining, 206.812500 MB of memory in use. ENERGY: 560800 712.4822 2111.6276 1946.0325 117.0281 -206310.6513 17973.5201 0.0000 0.0000 34144.3756 -149305.5851 298.1913 -183449.9607 -149216.9342 299.6187 91.3751 121.6535 558010.8721 6.4437 6.5084 PRESSURE: 561000 65.6379 207.362 -84.3932 207.363 -327.008 73.2264 -84.393 73.2255 -49.0784 GPRESSURE: 561000 74.1814 149.581 -111.042 199.385 -297.295 45.3581 -53.1653 38.8777 10.44 PRESSAVG: 561000 -65.6835 27.6956 13.3631 27.6957 3.44857 25.2588 13.3631 25.2589 3.32734 GPRESSAVG: 561000 -65.5657 27.5798 14.6971 27.0849 3.94442 26.1219 12.9825 25.0834 2.95114 TIMING: 561000 CPU: 1684.13, 0.00302123/step Wall: 1684.13, 0.00302123/step, 3.72534 hours remaining, 206.812500 MB of memory in use. ENERGY: 561000 716.7516 2112.6210 1934.4174 119.4275 -206116.6872 17746.5154 0.0000 0.0000 34336.1902 -149150.7642 299.8665 -183486.9544 -149052.7101 299.2230 -103.4828 -70.8913 559627.0397 -19.6359 -19.5567 PRESSURE: 561200 262.354 44.7907 29.3509 44.7905 -28.0174 -37.4955 29.3511 -37.4938 -159.859 GPRESSURE: 561200 281.622 64.3072 38.607 63.1451 44.943 -105.838 -18.999 -18.1343 -152.933 PRESSAVG: 561200 49.0609 27.55 -3.94934 27.5499 69.1114 -0.723202 -3.94933 -0.723187 -103.011 GPRESSAVG: 561200 48.5676 26.4951 -5.99114 28.4055 68.5158 -0.39096 -2.85377 -0.470072 -101.861 TIMING: 561200 CPU: 1684.73, 0.00303783/step Wall: 1684.73, 0.00303783/step, 3.74565 hours remaining, 206.812500 MB of memory in use. ENERGY: 561200 726.4353 2124.5411 1942.2611 107.6339 -206489.6745 18073.2845 0.0000 0.0000 34321.0218 -149194.4969 299.7340 -183515.5186 -149099.4722 299.2047 24.8261 57.8773 560492.8394 5.0539 5.0741 PRESSURE: 561400 -13.2074 147.65 -98.7903 147.65 197.51 -31.2551 -98.7908 -31.2545 119.136 GPRESSURE: 561400 47.662 102.323 -10.9289 103.307 234.848 -65.9269 -28.4631 -19.1757 120.333 PRESSAVG: 561400 56.1657 42.9975 -28.191 42.9975 3.10609 -96.101 -28.191 -96.101 -68.0361 GPRESSAVG: 561400 57.442 44.147 -24.9246 42.7684 2.54544 -97.0858 -29.2109 -96.2311 -68.4947 TIMING: 561400 CPU: 1685.34, 0.00303611/step Wall: 1685.34, 0.00303611/step, 3.74335 hours remaining, 206.812500 MB of memory in use. ENERGY: 561400 765.0829 2010.1016 1913.5643 108.6989 -205895.5430 17842.1083 0.0000 0.0000 34088.9003 -149167.0866 297.7068 -183255.9869 -149074.2654 299.0171 101.1462 134.2811 557296.0449 -2.9214 -2.8358 PRESSURE: 561600 425.259 -155.357 94.2557 -155.358 288.243 -76.3205 94.2559 -76.3209 218.96 GPRESSURE: 561600 462.902 -239.046 62.0977 -79.9248 354.433 -36.1023 69.8565 -99.103 222.483 PRESSAVG: 561600 65.4707 -16.5471 4.84171 -16.5471 -57.7172 -7.30584 4.8416 -7.3059 17.1295 GPRESSAVG: 561600 65.0775 -15.8452 3.32697 -18.1797 -56.182 -6.13747 5.02902 -7.51555 16.6781 TIMING: 561600 CPU: 1685.94, 0.00301093/step Wall: 1685.94, 0.00301093/step, 3.71215 hours remaining, 206.812500 MB of memory in use. ENERGY: 561600 714.8247 2069.0173 1933.2027 124.4835 -206591.0965 18181.7119 0.0000 0.0000 34370.9141 -149196.9423 300.1697 -183567.8565 -149092.0503 299.1753 310.8208 346.6060 556666.1334 8.2943 8.5245 PRESSURE: 561800 311.38 49.3388 270.046 49.3398 -19.1403 -39.7198 270.046 -39.7203 -55.9136 GPRESSURE: 561800 307.72 20.853 252.814 47.7078 7.43768 -71.902 371.771 -47.0179 15.0495 PRESSAVG: 561800 23.3249 -6.6747 -1.16186 -6.67477 11.537 -26.7093 -1.16179 -26.7094 -30.2903 GPRESSAVG: 561800 23.6297 -7.37591 -1.09005 -5.13916 9.05646 -25.3325 -1.42829 -27.5542 -28.5396 TIMING: 561800 CPU: 1686.55, 0.00302956/step Wall: 1686.55, 0.00302956/step, 3.73494 hours remaining, 206.812500 MB of memory in use. ENERGY: 561800 728.4518 2076.2964 1932.9616 108.9584 -206250.0315 17911.6501 0.0000 0.0000 34281.4824 -149210.2308 299.3887 -183491.7132 -149111.4709 299.2747 78.7753 110.0692 557339.3685 1.5239 1.3822 PRESSURE: 562000 67.8642 -107.835 103.622 -107.835 -155.375 -164.14 103.623 -164.141 -84.8221 GPRESSURE: 562000 129.15 -99.384 102.633 -115.6 -187.674 -155.39 119.193 -189.131 2.018 PRESSAVG: 562000 -0.10732 33.2164 2.7723 33.2164 7.04859 16.2009 2.77231 16.2009 9.97365 GPRESSAVG: 562000 -1.07085 33.7968 3.74431 31.3812 7.99502 15.2656 2.50302 17.8223 9.23105 TIMING: 562000 CPU: 1687.15, 0.00299756/step Wall: 1687.15, 0.00299756/step, 3.69533 hours remaining, 206.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 562000 774.7621 2063.7182 1953.5662 116.2801 -206183.4905 17793.6408 0.0000 0.0000 34296.7651 -149184.7580 299.5222 -183481.5231 -149088.0798 299.5145 -57.4443 -18.8353 557073.3888 5.6383 5.3851 PRESSURE: 562200 -98.7365 -48.0178 73.1201 -48.0183 28.9713 -3.96313 73.1202 -3.96195 45.9563 GPRESSURE: 562200 -58.5952 -78.5335 177.039 -130.094 71.4203 10.1488 -7.75944 -34.5698 65.0985 PRESSAVG: 562200 -27.131 18.1089 -5.67589 18.1089 -11.163 -28.5091 -5.67585 -28.5091 52.2625 GPRESSAVG: 562200 -24.8291 17.0116 -4.74627 19.3244 -11.4054 -28.3181 -6.92995 -29.0735 49.9423 TIMING: 562200 CPU: 1687.75, 0.00300787/step Wall: 1687.75, 0.00300787/step, 3.70787 hours remaining, 206.812500 MB of memory in use. ENERGY: 562200 736.1014 2053.1492 1895.5248 127.3153 -206089.8097 17675.3801 0.0000 0.0000 34525.3169 -149077.0219 301.5182 -183602.3389 -148982.5264 299.5679 -7.9363 25.9745 557849.7132 4.6562 4.5692 PRESSURE: 562400 -3.51047 -176.892 98.3329 -176.892 34.5712 -29.6792 98.3319 -29.6783 41.4085 GPRESSURE: 562400 29.2678 -170.176 42.6712 -179.437 62.0875 -74.1938 106.918 -87.3106 76.5559 PRESSAVG: 562400 45.639 -63.2858 16.5379 -63.2859 16.4104 -7.90451 16.5379 -7.90454 -16.1304 GPRESSAVG: 562400 44.8709 -63.894 16.4233 -62.1282 15.0015 -9.15056 17.7544 -7.98483 -14.5027 TIMING: 562400 CPU: 1688.36, 0.00303404/step Wall: 1688.36, 0.00303404/step, 3.73996 hours remaining, 206.812500 MB of memory in use. ENERGY: 562400 758.4846 2116.4306 1940.0018 108.3551 -206230.4756 17868.6970 0.0000 0.0000 34325.6490 -149112.8574 299.7744 -183438.5064 -149013.6759 300.1042 24.1564 55.9704 558113.1533 15.3063 15.1232 PRESSURE: 562600 -233.082 -90.9373 -82.7112 -90.9365 -290.821 42.3422 -82.7107 42.344 -99.1479 GPRESSURE: 562600 -225.738 -84.8161 -22.2951 -56.2341 -272.79 -19.1842 -50.2886 57.9267 -19.718 PRESSAVG: 562600 34.3478 -44.5124 63.7945 -44.5124 -36.8143 3.67663 63.7945 3.6767 24.8935 GPRESSAVG: 562600 33.0421 -45.405 62.1743 -44.9256 -36.1923 5.34547 63.9737 3.06228 25.4851 TIMING: 562600 CPU: 1688.96, 0.00303776/step Wall: 1688.96, 0.00303776/step, 3.74437 hours remaining, 206.812500 MB of memory in use. ENERGY: 562600 748.9063 2074.6089 1954.4026 119.7901 -205941.2330 17541.9977 0.0000 0.0000 34318.8154 -149182.7121 299.7148 -183501.5275 -149085.0695 299.7177 -207.6837 -172.7486 557398.8169 7.4757 7.4450 PRESSURE: 562800 64.7621 51.1606 -120.567 51.1603 39.7771 47.4583 -120.568 47.4582 -36.8805 GPRESSURE: 562800 117.744 104.532 -159.126 15.6464 53.5813 66.2976 -169.061 44.9946 -8.29358 PRESSAVG: 562800 -0.387506 -6.36807 6.12009 -6.36817 -51.2733 7.03318 6.12016 7.03314 50.5654 GPRESSAVG: 562800 0.824908 -4.38257 5.90134 -7.19148 -50.1504 5.54035 7.0464 4.67156 48.2559 TIMING: 562800 CPU: 1689.56, 0.0030054/step Wall: 1689.56, 0.0030054/step, 3.70432 hours remaining, 206.812500 MB of memory in use. ENERGY: 562800 755.5623 2091.7881 1952.5567 120.4093 -206296.4391 17731.1052 0.0000 0.0000 34560.5071 -149084.5105 301.8255 -183645.0176 -148978.6207 299.5741 22.5529 54.3440 555309.6667 -0.3651 -0.3565 PRESSURE: 563000 137.496 -46.8127 -13.8236 -46.8141 -17.4432 111.68 -13.8232 111.68 224.531 GPRESSURE: 563000 185.43 1.7425 -6.30418 -127.624 41.1888 142.464 -32.4015 79.0829 211.358 PRESSAVG: 563000 37.7281 21.268 11.3805 21.268 -73.0916 -25.6887 11.3805 -25.6887 65.8481 GPRESSAVG: 563000 36.5316 21.7869 12.5791 22.1046 -73.3345 -25.8632 12.6812 -22.9266 66.8696 TIMING: 563000 CPU: 1690.16, 0.00298037/step Wall: 1690.16, 0.00298037/step, 3.67331 hours remaining, 206.812500 MB of memory in use. ENERGY: 563000 720.4346 2101.2256 1941.0849 114.7341 -206524.0164 17892.2676 0.0000 0.0000 34512.0474 -149242.2221 301.4023 -183754.2695 -149149.5653 299.9143 114.8611 145.9921 554945.9528 10.1615 10.0222 PRESSURE: 563200 249.815 32.7288 -167.042 32.7277 133.026 -41.5663 -167.041 -41.5666 -296.044 GPRESSURE: 563200 198.424 0.430244 -93.5197 -12.1112 199.191 -49.2633 -164.015 -21.9816 -218.111 PRESSAVG: 563200 59.1725 -3.71311 -36.8716 -3.71312 -65.0192 -45.8852 -36.8716 -45.8852 -12.707 GPRESSAVG: 563200 59.3588 -3.2846 -35.5018 -4.61623 -65.5804 -45.7186 -39.3041 -45.168 -12.5795 TIMING: 563200 CPU: 1690.76, 0.00298154/step Wall: 1690.76, 0.00298154/step, 3.67458 hours remaining, 206.812500 MB of memory in use. ENERGY: 563200 730.7638 2113.3823 1909.1244 112.0471 -206274.5860 17785.7190 0.0000 0.0000 34435.8613 -149187.6882 300.7369 -183623.5495 -149096.1746 300.2025 28.9323 59.8343 557039.0793 -6.1846 -6.2670 PRESSURE: 563400 86.2026 -52.8258 30.5468 -52.8247 -301.141 -63.0469 30.5463 -63.0467 -190.245 GPRESSURE: 563400 99.1296 5.16764 -23.5855 -87.2144 -269.471 -27.9525 15.0211 -129.507 -139.281 PRESSAVG: 563400 10.7269 -59.5502 -46.1316 -59.55 51.9352 6.36253 -46.1315 6.36252 -82.2966 GPRESSAVG: 563400 12.2728 -60.8926 -49.6451 -57.1871 51.7647 6.68859 -45.8596 5.89401 -83.3287 TIMING: 563400 CPU: 1691.36, 0.00300342/step Wall: 1691.36, 0.00300342/step, 3.70138 hours remaining, 206.812500 MB of memory in use. ENERGY: 563400 733.8773 2085.1610 1944.1889 125.0186 -205968.9891 17619.1785 0.0000 0.0000 34191.5339 -149270.0310 298.6032 -183461.5649 -149167.2543 299.9351 -135.0611 -103.2074 558210.5345 -6.5448 -6.4304 PRESSURE: 563600 140.195 -42.7563 -70.9012 -42.7565 116.175 -5.91227 -70.9015 -5.91313 43.9784 GPRESSURE: 563600 178.059 21.6528 -65.7097 -75.4886 147.694 14.6292 -109.666 95.7567 62.8762 PRESSAVG: 563600 -46.2532 -11.4479 12.5798 -11.4479 95.8927 10.321 12.5797 10.3211 -38.4317 GPRESSAVG: 563600 -47.982 -11.4533 14.534 -12.6847 95.4794 10.481 11.0201 10.2595 -36.5572 TIMING: 563600 CPU: 1691.96, 0.0030166/step Wall: 1691.96, 0.0030166/step, 3.71745 hours remaining, 206.812500 MB of memory in use. ENERGY: 563600 771.4744 2042.6312 1959.1470 109.5786 -206422.8290 18118.6519 0.0000 0.0000 34347.3483 -149073.9977 299.9639 -183421.3460 -148982.5622 299.8485 100.1161 129.5428 557722.1213 3.7359 3.6467 PRESSURE: 563800 15.787 45.9638 -206.887 45.9642 159.723 72.69 -206.888 72.6894 122.98 GPRESSURE: 563800 91.3845 135.373 -202.008 -11.3244 179.789 66.7666 -140.98 28.9385 124.102 PRESSAVG: 563800 -47.3973 11.3156 -0.4895 11.3156 36.4558 36.4187 -0.489546 36.4186 40.7266 GPRESSAVG: 563800 -46.0736 10.0938 -2.59151 11.1365 36.6274 34.0334 0.732674 37.4903 39.1758 TIMING: 563800 CPU: 1692.56, 0.00300459/step Wall: 1692.56, 0.00300459/step, 3.70249 hours remaining, 206.812500 MB of memory in use. ENERGY: 563800 744.8933 2148.1251 1944.4071 112.6677 -206291.1361 17792.1002 0.0000 0.0000 34442.0726 -149106.8701 300.7912 -183548.9427 -149012.2776 299.8236 99.4966 131.7582 555597.2473 9.9284 9.9099 PRESSURE: 564000 -158.301 189.486 15.2107 189.485 -139.629 115.102 15.2105 115.102 224.883 GPRESSURE: 564000 -146.555 156.394 -55.5948 231.533 -85.3155 93.9877 -10.681 104.497 259.653 PRESSAVG: 564000 -18.5674 50.064 -42.6093 50.064 -34.1056 21.4834 -42.6093 21.4835 29.7318 GPRESSAVG: 564000 -17.7817 50.5448 -42.0795 49.7972 -35.7903 23.0858 -41.8717 20.9415 30.2263 TIMING: 564000 CPU: 1693.16, 0.00300062/step Wall: 1693.16, 0.00300062/step, 3.69743 hours remaining, 206.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 564000 697.0484 2099.6323 1934.3943 112.6633 -205335.7405 17353.5776 0.0000 0.0000 34094.6333 -149043.7912 297.7569 -183138.4245 -148946.8448 300.0969 -24.3488 9.2608 557179.1318 -7.6471 -7.7819 PRESSURE: 564200 -122.188 85.4887 -116.307 85.488 -137.101 39.5501 -116.308 39.5508 -76.6832 GPRESSURE: 564200 -32.0678 109.133 -58.4265 53.7735 -138.281 7.65531 -44.6636 44.1291 -67.5871 PRESSAVG: 564200 -31.0848 -4.51513 -9.62737 -4.51514 0.318357 75.8235 -9.62745 75.8235 -16.4428 GPRESSAVG: 564200 -32.6228 -2.00299 -9.25837 -5.45682 2.32462 76.3339 -8.22119 75.5813 -16.8061 TIMING: 564200 CPU: 1693.77, 0.00303597/step Wall: 1693.77, 0.00303597/step, 3.74082 hours remaining, 206.812500 MB of memory in use. ENERGY: 564200 761.2770 2091.0207 1939.1001 110.2323 -205681.6641 17567.5124 0.0000 0.0000 34250.1807 -148962.3409 299.1153 -183212.5216 -148863.5536 300.2859 -111.9909 -79.3119 557497.4389 -15.7364 -15.7014 LDB: ============= START OF LOAD BALANCING ============== 1697.29 LDB: ============== END OF LOAD BALANCING =============== 1697.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1697.29 LDB: ============= START OF LOAD BALANCING ============== 1697.6 LDB: Largest compute 4772 load 0.029826 is 25.3% of average load 0.117935 LDB: Average compute 0.001733 is 1.5% of average load 0.117935 LDB: TIME 1697.6 LOAD: AVG 0.117935 MAX 0.211732 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.801 MB LDB: TIME 1697.6 LOAD: AVG 0.117935 MAX 0.211732 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.004 MB LDB: TIME 1697.6 LOAD: AVG 0.117935 MAX 0.211732 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.004 MB LDB: ============== END OF LOAD BALANCING =============== 1697.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1697.61 PRESSURE: 564400 -161.372 76.9789 19.8691 76.9794 -106.3 3.28109 19.8692 3.28006 58.264 GPRESSURE: 564400 -121.212 120.088 -103.769 155.401 -51.5685 -4.16022 82.6245 21.8101 54.0594 PRESSAVG: 564400 26.8831 27.5239 -34.3897 27.524 41.6606 -26.1781 -34.3897 -26.178 -3.40965 GPRESSAVG: 564400 25.7064 25.9353 -36.2112 29.3011 41.3596 -27.8016 -34.5505 -26.4892 -2.02054 TIMING: 564400 CPU: 1694.39, 0.00310765/step Wall: 1694.39, 0.00310765/step, 3.82896 hours remaining, 206.308594 MB of memory in use. ENERGY: 564400 773.3651 2125.4646 1957.5568 118.9033 -206128.7724 17644.5201 0.0000 0.0000 34461.1317 -149047.8307 300.9576 -183508.9625 -148955.0129 299.5787 -69.8029 -39.5736 556422.7819 21.7114 21.6818 PRESSURE: 564600 -2.81327 68.3923 -54.1087 68.3926 -136.476 -200.546 -54.1075 -200.546 142.128 GPRESSURE: 564600 47.3772 117.003 -76.8816 106.995 -150.06 -160.814 -92.8407 -242.018 196.476 PRESSAVG: 564600 -46.9411 -11.0486 -26.8716 -11.0487 18.3203 -85.5049 -26.8716 -85.505 19.3451 GPRESSAVG: 564600 -45.386 -9.98457 -25.7767 -10.2366 18.8633 -85.4832 -27.3177 -86.1659 17.5603 TIMING: 564600 CPU: 1695.01, 0.00307562/step Wall: 1695.01, 0.00307562/step, 3.78933 hours remaining, 206.308594 MB of memory in use. ENERGY: 564600 750.0889 2106.4512 1960.6659 94.6705 -206010.3875 17698.0069 0.0000 0.0000 34334.1479 -149066.3562 299.8487 -183400.5041 -148970.2549 299.7327 0.9462 31.2645 556621.8126 -3.0919 -2.9875 PRESSURE: 564800 8.85201 1.96691 9.6133 1.96736 -122.217 24.1879 9.61292 24.1886 183.569 GPRESSURE: 564800 42.4276 15.9988 5.53711 -12.1858 -66.9191 3.93668 58.5543 31.8818 183.228 PRESSAVG: 564800 -7.72041 61.8475 -9.66341 61.8475 13.7395 17.5735 -9.66341 17.5736 68.2184 GPRESSAVG: 564800 -8.0048 60.5541 -8.92808 62.6225 12.2614 18.2067 -11.1741 17.2534 70.0051 TIMING: 564800 CPU: 1695.62, 0.00308222/step Wall: 1695.62, 0.00308222/step, 3.79729 hours remaining, 206.308594 MB of memory in use. ENERGY: 564800 761.6798 2060.9107 1964.5220 106.9040 -205969.5211 17767.6643 0.0000 0.0000 34293.2989 -149014.5415 299.4919 -183307.8404 -148918.8372 300.1589 23.4011 52.9123 557059.4765 24.7458 24.7539 PRESSURE: 565000 14.21 -78.5692 -3.12143 -78.5689 -192.82 105.046 -3.12108 105.047 265.875 GPRESSURE: 565000 86.3928 -19.2921 -38.473 -149.019 -189.402 39.346 119.403 176.235 291.053 PRESSAVG: 565000 -44.1489 -9.12656 -5.51728 -9.12659 26.2303 -12.7936 -5.51736 -12.7937 36.9161 GPRESSAVG: 565000 -43.4958 -9.91627 -5.60981 -9.884 27.0424 -11.9757 -4.60111 -11.9943 35.4918 TIMING: 565000 CPU: 1696.23, 0.00303944/step Wall: 1696.23, 0.00303944/step, 3.74442 hours remaining, 206.308594 MB of memory in use. ENERGY: 565000 744.3857 2102.8874 1948.3249 110.4560 -206066.8874 17753.1639 0.0000 0.0000 34296.4667 -149111.2029 299.5196 -183407.6695 -149006.9252 299.7647 29.0881 62.6812 557892.8271 6.3325 6.3461 PRESSURE: 565200 -177.838 -76.7963 -175.571 -76.7971 115.108 -5.20779 -175.572 -5.20972 91.792 GPRESSURE: 565200 -174.577 -45.5764 -144.464 -84.0521 162.607 121.907 -106.134 -25.2572 142.56 PRESSAVG: 565200 1.9972 -11.8553 -77.0348 -11.8553 13.6949 16.7122 -77.0348 16.7121 58.6683 GPRESSAVG: 565200 2.79202 -9.94519 -77.4718 -12.8646 12.3456 18.1733 -77.5887 14.656 58.8989 TIMING: 565200 CPU: 1696.84, 0.00304988/step Wall: 1696.84, 0.00304988/step, 3.75712 hours remaining, 206.308594 MB of memory in use. ENERGY: 565200 742.8343 2078.4304 1953.9409 138.8640 -206120.6026 17666.9425 0.0000 0.0000 34330.2984 -149209.2921 299.8150 -183539.5905 -149116.9249 299.2892 9.6874 43.5297 556494.5842 24.7868 24.6788 PRESSURE: 565400 100.865 106.436 -103.097 106.435 135.724 -15.3302 -103.097 -15.3303 159.73 GPRESSURE: 565400 139.392 204.459 -74.5283 -41.6872 170.128 40.9884 -126.148 -1.14555 189.21 PRESSAVG: 565400 -22.3079 20.9144 -26.2833 20.9145 -39.3969 -31.4293 -26.2833 -31.4293 90.026 GPRESSAVG: 565400 -22.6548 19.7533 -25.4021 21.1045 -39.2474 -33.8117 -27.1671 -29.5264 90.3682 TIMING: 565400 CPU: 1697.45, 0.00303055/step Wall: 1697.45, 0.00303055/step, 3.73314 hours remaining, 206.308594 MB of memory in use. ENERGY: 565400 751.6112 2075.3177 1946.4702 119.3099 -206348.5121 18016.3722 0.0000 0.0000 34303.2065 -149136.2244 299.5784 -183439.4310 -149039.9727 299.3413 132.1061 166.2435 556453.2260 9.4404 9.4887 PRESSURE: 565600 -8.20725 15.5115 -42.9431 15.5105 147.119 -38.9106 -42.9444 -38.9101 -346.063 GPRESSURE: 565600 17.4654 27.4405 -66.5929 -83.7813 181.635 -22.8227 -5.98496 6.50747 -309.429 PRESSAVG: 565600 -20.4856 21.9213 -25.9387 21.9213 46.57 -40.2235 -25.9388 -40.2234 -62.9765 GPRESSAVG: 565600 -22.0332 22.836 -25.583 21.376 46.8005 -41.217 -25.6564 -40.3035 -61.7566 TIMING: 565600 CPU: 1698.06, 0.00305661/step Wall: 1698.06, 0.00305661/step, 3.76506 hours remaining, 206.308594 MB of memory in use. ENERGY: 565600 773.2486 2123.4236 1927.5065 121.6099 -206187.8637 17827.4627 0.0000 0.0000 34373.2937 -149041.3186 300.1905 -183414.6123 -148942.3534 299.1411 -69.0503 -36.7761 557875.8879 -12.2974 -12.3298 PRESSURE: 565800 -298.255 53.4564 -112.155 53.4575 18.3755 25.7568 -112.155 25.7572 20.5096 GPRESSURE: 565800 -313.249 -64.6453 -159.93 101.717 112.405 4.26949 -107.538 36.1064 38.0637 PRESSAVG: 565800 -29.1555 19.3236 -37.9101 19.3236 -43.9974 -5.63059 -37.91 -5.63056 77.2148 GPRESSAVG: 565800 -29.0488 17.5553 -37.6519 19.0001 -42.8208 -3.4741 -38.0911 -9.53724 75.8093 TIMING: 565800 CPU: 1698.66, 0.00303013/step Wall: 1698.66, 0.00303013/step, 3.73228 hours remaining, 206.308594 MB of memory in use. ENERGY: 565800 759.5115 2082.2267 1936.4889 121.9432 -206422.4031 17918.3237 0.0000 0.0000 34363.1603 -149240.7488 300.1020 -183603.9091 -149141.9047 298.6755 -86.4565 -54.2601 558163.4899 1.3540 1.3132 PRESSURE: 566000 -63.9435 -218.026 65.4299 -218.026 45.3121 -37.4323 65.4311 -37.4331 189.142 GPRESSURE: 566000 -78.18 -211.028 98.8153 -197.474 103.445 66.577 82.7696 -22.5925 239.759 PRESSAVG: 566000 31.6118 -68.0743 -31.1777 -68.0743 -88.8628 6.86584 -31.1778 6.86582 95.5136 GPRESSAVG: 566000 30.8259 -69.5381 -30.2541 -65.7773 -88.8682 6.24766 -31.0966 10.2733 96.0255 TIMING: 566000 CPU: 1699.27, 0.00303348/step Wall: 1699.27, 0.00303348/step, 3.73623 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: 566000 733.9209 2070.9761 1942.2431 106.9514 -206265.8150 17955.1132 0.0000 0.0000 34309.1314 -149147.4791 299.6302 -183456.6104 -149046.7367 299.3113 56.8367 88.3414 559356.9264 12.7542 12.6611 PRESSURE: 566200 -198.127 28.0363 -26.8469 28.0364 -230.764 -94.4231 -26.8472 -94.4241 -176.241 GPRESSURE: 566200 -157.967 127.657 -17.2213 4.75186 -207.793 -84.4492 -47.2906 -75.6408 -139.069 PRESSAVG: 566200 -11.0313 -18.7528 -0.0846799 -18.7528 -50.9208 14.6337 -0.0846917 14.6337 72.4595 GPRESSAVG: 566200 -9.54915 -16.623 -2.27184 -20.3449 -52.7159 14.5988 1.04711 13.379 72.8365 TIMING: 566200 CPU: 1699.87, 0.00301973/step Wall: 1699.87, 0.00301973/step, 3.71913 hours remaining, 206.308594 MB of memory in use. ENERGY: 566200 747.9509 2136.0083 1949.1661 122.2969 -205832.0507 17665.2769 0.0000 0.0000 34283.8927 -148927.4588 299.4098 -183211.3515 -148829.7068 299.8261 -201.7107 -168.2763 559803.4839 3.5025 3.5238 PRESSURE: 566400 11.5145 60.6786 30.5926 60.6789 85.9993 -143.573 30.5918 -143.574 16.9228 GPRESSURE: 566400 23.2911 42.8985 117.729 79.5455 87.1705 -81.3258 16.0406 -106.792 96.1403 PRESSAVG: 566400 -5.1237 -29.6026 -37.0712 -29.6028 -85.6646 -17.5288 -37.0712 -17.5288 20.947 GPRESSAVG: 566400 -6.42351 -30.1073 -34.9383 -29.4284 -84.057 -17.2594 -38.5017 -15.8995 20.7115 TIMING: 566400 CPU: 1700.48, 0.00300782/step Wall: 1700.48, 0.00300782/step, 3.7043 hours remaining, 206.308594 MB of memory in use. ENERGY: 566400 778.6516 2068.0191 1976.8083 107.1725 -206324.9152 17983.7587 0.0000 0.0000 34564.3490 -148846.1560 301.8591 -183410.5050 -148756.6823 299.7953 38.1456 68.8673 558228.2764 -23.2804 -23.2563 PRESSURE: 566600 140.778 28.5737 -96.5119 28.5736 212.646 119.705 -96.5122 119.705 -9.17183 GPRESSURE: 566600 169.499 93.0602 -91.0646 -14.1732 230.222 134.618 -122.878 74.589 46.6006 PRESSAVG: 566600 20.4987 5.07311 -55.4948 5.07313 -45.8773 -18.2031 -55.495 -18.2032 -8.21071 GPRESSAVG: 566600 21.6993 3.86262 -56.5386 3.73896 -46.6821 -16.8228 -53.7743 -19.7906 -8.49249 TIMING: 566600 CPU: 1701.08, 0.003017/step Wall: 1701.08, 0.003017/step, 3.71544 hours remaining, 206.308594 MB of memory in use. ENERGY: 566600 751.3813 2110.2139 1957.4416 120.2643 -206358.5421 18108.8188 0.0000 0.0000 34381.7508 -148928.6713 300.2644 -183310.4221 -148831.0660 299.6867 114.7509 148.7738 558267.2482 -11.1964 -11.1584 PRESSURE: 566800 42.6169 175.337 61.1291 175.337 72.0912 -13.5465 61.1293 -13.5467 90.0337 GPRESSURE: 566800 128.71 243.245 110.461 124.109 70.4954 9.46753 11.513 53.2209 115.15 PRESSAVG: 566800 2.14867 17.2935 31.6782 17.2935 -28.0243 20.8569 31.6782 20.8569 7.48627 GPRESSAVG: 566800 2.23334 19.5412 30.9546 17.1811 -26.4804 17.8895 30.8339 21.5803 5.63021 TIMING: 566800 CPU: 1701.68, 0.0030189/step Wall: 1701.68, 0.0030189/step, 3.71761 hours remaining, 206.308594 MB of memory in use. ENERGY: 566800 731.6077 2049.2692 1934.6132 127.3408 -205805.6095 17764.4421 0.0000 0.0000 34298.7076 -148899.6290 299.5391 -183198.3366 -148805.4469 300.0865 68.2473 104.7852 558811.7601 -6.1298 -6.2056 PRESSURE: 567000 40.384 131.165 35.6953 131.165 -391.755 -5.54473 35.696 -5.54494 -283.572 GPRESSURE: 567000 45.5792 73.9884 9.16476 226.203 -376.075 10.1405 0.377227 -32.1027 -213.365 PRESSAVG: 567000 43.7965 55.5098 29.9626 55.5098 -11.0108 36.1349 29.9626 36.135 -24.0929 GPRESSAVG: 567000 42.8177 52.0746 30.6166 57.3288 -11.7481 37.887 29.3752 35.5683 -22.4542 TIMING: 567000 CPU: 1702.29, 0.00302789/step Wall: 1702.29, 0.00302789/step, 3.72852 hours remaining, 206.308594 MB of memory in use. ENERGY: 567000 764.0053 2078.9268 1948.2519 126.0965 -206115.3472 17625.8068 0.0000 0.0000 34497.5775 -149074.6825 301.2759 -183572.2600 -148975.7884 299.7316 -211.6477 -181.2871 559709.5091 2.8976 2.8718 PRESSURE: 567200 -269.208 -59.8189 38.124 -59.82 -6.32979 -2.71212 38.1248 -2.7115 -180.733 GPRESSURE: 567200 -264.181 -6.8682 56.7545 -23.3244 77.8511 67.0462 67.3031 -12.3935 -160.176 PRESSAVG: 567200 -43.2454 18.5378 -18.2598 18.5376 1.50291 6.27558 -18.2598 6.27548 -22.8514 GPRESSAVG: 567200 -43.2958 22.6878 -18.3474 17.2857 1.15796 4.90785 -17.5468 6.93562 -22.7103 TIMING: 567200 CPU: 1702.9, 0.00306839/step Wall: 1702.9, 0.00306839/step, 3.77821 hours remaining, 206.308594 MB of memory in use. ENERGY: 567200 728.4857 2070.5144 1951.0816 119.5346 -205762.5644 17512.1756 0.0000 0.0000 34335.5337 -149045.2387 299.8608 -183380.7724 -148956.9449 300.0442 -152.0902 -115.5018 558500.1571 -21.5313 -21.6160 PRESSURE: 567400 -183.363 74.3201 -143.999 74.3208 -66.4196 173.349 -143.998 173.347 -197.229 GPRESSURE: 567400 -186.929 80.9039 -118.302 -37.6366 -25.5822 90.2346 -147.611 163.637 -125.192 PRESSAVG: 567400 -72.2746 -22.6932 -1.88798 -22.6931 39.6197 6.48587 -1.88802 6.48597 46.7814 GPRESSAVG: 567400 -70.7658 -23.5256 -2.99794 -23.0313 39.688 5.90118 -2.68119 5.5883 45.564 TIMING: 567400 CPU: 1703.51, 0.00303251/step Wall: 1703.51, 0.00303251/step, 3.73386 hours remaining, 206.308594 MB of memory in use. ENERGY: 567400 747.5892 2087.3032 1925.6270 117.1788 -206246.3274 17800.6885 0.0000 0.0000 34437.1436 -149130.7971 300.7481 -183567.9407 -149026.2267 299.7397 -149.0041 -112.5679 557574.3710 4.7088 4.8287 PRESSURE: 567600 45.5895 -13.2732 4.67735 -13.2721 -238.156 3.902 4.67733 3.90221 176.308 GPRESSURE: 567600 75.8397 22.7833 -74.4384 64.9531 -191.755 30.1208 23.6465 10.0387 200.162 PRESSAVG: 567600 45.0061 43.3528 -23.2265 43.3529 -83.3221 27.8779 -23.2265 27.8779 4.48236 GPRESSAVG: 567600 43.7093 44.0273 -22.6987 45.0756 -82.6381 28.9033 -23.187 27.7014 5.13708 TIMING: 567600 CPU: 1704.12, 0.00303451/step Wall: 1704.12, 0.00303451/step, 3.73616 hours remaining, 206.308594 MB of memory in use. ENERGY: 567600 766.1747 2063.1460 1934.4135 119.5352 -206045.4069 17884.0099 0.0000 0.0000 34203.0428 -149075.0849 298.7037 -183278.1277 -148978.8280 299.1974 -5.4197 28.0821 559226.2237 -11.2779 -11.2639 PRESSURE: 567800 -335.093 16.1539 56.385 16.1544 4.89563 71.4386 56.3842 71.437 -53.056 GPRESSURE: 567800 -284.856 49.2419 0.509796 4.72296 71.3385 44.5921 102.162 58.4288 -65.4434 PRESSAVG: 567800 20.4955 5.1808 9.7685 5.18076 -35.4141 -12.5878 9.76851 -12.5878 12.2975 GPRESSAVG: 567800 20.324 3.57376 11.01 5.28785 -35.6088 -11.824 10.7117 -12.644 13.3263 TIMING: 567800 CPU: 1704.72, 0.00302198/step Wall: 1704.72, 0.00302198/step, 3.72056 hours remaining, 206.308594 MB of memory in use. ENERGY: 567800 762.1280 2055.5627 1943.0899 115.1198 -206120.2413 17814.9004 0.0000 0.0000 34296.0861 -149133.3544 299.5163 -183429.4405 -149038.1261 299.5406 -127.7511 -92.9869 560434.0588 -0.8737 -0.6528 PRESSURE: 568000 31.3532 -45.5947 19.5551 -45.596 -221.671 78.7435 19.5583 78.7442 55.7512 GPRESSURE: 568000 54.2981 -50.4649 -5.25774 -58.0231 -176.247 70.0665 -19.8019 53.6444 81.0684 PRESSAVG: 568000 -45.0613 -43.931 22.3333 -43.9311 16.5035 35.3859 22.3333 35.3859 37.6961 GPRESSAVG: 568000 -44.4888 -44.248 21.2759 -45.6306 15.8129 35.1458 22.1497 36.2264 37.4378 TIMING: 568000 CPU: 1705.33, 0.00303092/step Wall: 1705.33, 0.00303092/step, 3.7314 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: 568000 719.3548 2062.2985 1964.2526 121.0274 -206005.7061 17835.6231 0.0000 0.0000 34146.4863 -149156.6634 298.2098 -183303.1497 -149070.8763 299.1824 -44.8554 -13.6268 557970.4380 3.0461 2.9206 PRESSURE: 568200 105.159 -126.469 131.238 -126.468 8.09727 77.1242 131.237 77.1237 20.8801 GPRESSURE: 568200 63.2746 -138.587 207.956 -76.7244 42.0942 101.547 81.7774 134.149 141.814 PRESSAVG: 568200 -11.3316 24.9559 21.0326 24.9559 -24.5294 4.45184 21.0326 4.45173 77.5549 GPRESSAVG: 568200 -11.6049 26.4637 21.9361 25.5186 -24.296 3.91146 19.5433 2.56127 77.9593 TIMING: 568200 CPU: 1705.93, 0.00302059/step Wall: 1705.93, 0.00302059/step, 3.71852 hours remaining, 206.308594 MB of memory in use. ENERGY: 568200 731.9210 2050.7828 1913.2929 109.7441 -206184.0341 17737.8221 0.0000 0.0000 34326.5967 -149313.8744 299.7827 -183640.4712 -149221.9973 298.5785 44.7120 82.3944 555240.2455 13.8980 14.0195 LDB: ============= START OF LOAD BALANCING ============== 1709.45 LDB: ============== END OF LOAD BALANCING =============== 1709.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1709.45 LDB: ============= START OF LOAD BALANCING ============== 1709.75 LDB: Largest compute 4772 load 0.028310 is 24.0% of average load 0.117819 LDB: Average compute 0.001725 is 1.5% of average load 0.117819 LDB: TIME 1709.76 LOAD: AVG 0.117819 MAX 0.210381 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.395 MB LDB: TIME 1709.76 LOAD: AVG 0.117819 MAX 0.210381 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.598 MB LDB: TIME 1709.76 LOAD: AVG 0.117819 MAX 0.210381 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.598 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1709.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1709.76 PRESSURE: 568400 52.8976 49.5094 -190.864 49.5103 -181.322 -221.483 -190.865 -221.483 27.2893 GPRESSURE: 568400 6.01366 57.9689 -163.174 29.9583 -99.6727 -223.563 -193.084 -159.329 90.1303 PRESSAVG: 568400 72.7136 -46.4706 -30.5693 -46.4705 -43.4735 -44.8085 -30.5694 -44.8085 16.1764 GPRESSAVG: 568400 73.7233 -47.0245 -32.9727 -47.9989 -43.3057 -44.7097 -29.8036 -43.5922 15.7331 TIMING: 568400 CPU: 1706.55, 0.00308205/step Wall: 1706.55, 0.00308205/step, 3.794 hours remaining, 207.136719 MB of memory in use. ENERGY: 568400 732.3198 2074.7679 1938.0212 129.0658 -206188.1080 17563.6056 0.0000 0.0000 34298.9072 -149451.4205 299.5409 -183750.3277 -149354.4832 299.1341 -33.7118 -1.1762 556784.4049 15.1388 15.3836 PRESSURE: 568600 -460.555 140.795 158.899 140.795 -142.769 4.384 158.9 4.38447 -80.382 GPRESSURE: 568600 -417.496 100.384 154.312 209.623 -65.9608 -40.7194 162.394 -18.725 -108.944 PRESSAVG: 568600 -54.1223 -47.3738 12.1677 -47.3738 2.51426 -28.3046 12.1678 -28.3045 24.4524 GPRESSAVG: 568600 -54.9329 -47.7536 13.8774 -45.9796 3.55549 -26.8937 14.9371 -31.1895 24.1049 TIMING: 568600 CPU: 1707.15, 0.00300814/step Wall: 1707.15, 0.00300814/step, 3.70285 hours remaining, 207.339844 MB of memory in use. ENERGY: 568600 735.3719 2022.5624 1928.5836 112.6617 -206234.6442 17523.6115 0.0000 0.0000 34331.4831 -149580.3699 299.8254 -183911.8530 -149491.4716 298.5462 -227.9019 -197.4671 557547.3703 -9.0519 -9.0908 PRESSURE: 568800 -79.9282 75.4094 26.8364 75.4103 200.833 89.9189 26.8367 89.9175 35.6159 GPRESSURE: 568800 -51.5121 230.31 12.6174 48.1565 251.51 -0.0317792 -16.0064 212.584 65.3624 PRESSAVG: 568800 -8.49196 -24.8516 -12.4816 -24.8516 10.7461 -32.111 -12.4816 -32.111 19.279 GPRESSAVG: 568800 -7.39412 -22.0047 -12.6252 -26.5183 9.55815 -33.3172 -12.9186 -29.4391 19.429 TIMING: 568800 CPU: 1707.75, 0.00302184/step Wall: 1707.75, 0.00302184/step, 3.71955 hours remaining, 207.339844 MB of memory in use. ENERGY: 568800 738.8723 2108.6248 1929.5865 117.1081 -206635.5445 17838.2797 0.0000 0.0000 34156.7140 -149746.3592 298.2991 -183903.0732 -149640.3904 298.3769 52.1736 88.4535 556435.2840 7.1777 7.1977 PRESSURE: 569000 107.774 -9.50312 -67.4409 -9.50255 109.968 39.333 -67.4418 39.3364 -9.52001 GPRESSURE: 569000 164.959 28.4106 -16.7124 -134.101 124.076 80.0505 -82.4065 19.6073 1.0028 PRESSAVG: 569000 15.7135 21.4088 -14.1289 21.4088 2.63057 12.5194 -14.129 12.5194 7.07857 GPRESSAVG: 569000 15.4651 19.9677 -13.1167 24.1128 2.68868 14.1052 -16.2431 11.9351 6.95897 TIMING: 569000 CPU: 1708.35, 0.00299245/step Wall: 1708.35, 0.00299245/step, 3.68321 hours remaining, 207.339844 MB of memory in use. ENERGY: 569000 719.3211 2096.5574 1933.1934 113.6801 -206812.3710 18123.6378 0.0000 0.0000 33900.1950 -149925.7862 296.0588 -183825.9812 -149835.2789 297.8334 69.4075 96.6794 558015.6780 8.4742 8.3709 PRESSURE: 569200 212.103 -172.181 -71.3157 -172.183 177.447 172.148 -71.3153 172.149 51.1807 GPRESSURE: 569200 249.069 -172.985 -32.1156 -235.373 227.788 154.049 -120.898 197.929 64.3776 PRESSAVG: 569200 15.2154 -35.0596 -26.3339 -35.0596 22.1948 9.04529 -26.3339 9.04531 -0.831282 GPRESSAVG: 569200 15.3351 -37.8824 -27.9735 -35.4988 22.0443 7.21498 -25.1713 9.33289 -0.545671 TIMING: 569200 CPU: 1708.95, 0.00299862/step Wall: 1708.95, 0.00299862/step, 3.69064 hours remaining, 207.339844 MB of memory in use. ENERGY: 569200 716.0030 2145.4844 1930.1741 130.2077 -206992.4231 18186.9050 0.0000 0.0000 34206.9639 -149676.6850 298.7379 -183883.6490 -149581.1306 298.1131 146.9100 180.4113 555992.3052 12.1930 12.2779 PRESSURE: 569400 -29.2857 46.3843 -150.829 46.3839 -19.4133 -146.601 -150.828 -146.601 -440.999 GPRESSURE: 569400 -36.2688 56.3803 -174.161 68.7947 21.7449 -172.7 -80.8496 -78.7074 -380.449 PRESSAVG: 569400 -8.10669 7.02081 -18.6744 7.02079 -40.117 0.609443 -18.6743 0.609417 18.3057 GPRESSAVG: 569400 -7.8453 8.33913 -16.3998 7.12606 -39.6664 0.860047 -20.4269 1.74673 17.9135 TIMING: 569400 CPU: 1709.55, 0.00297455/step Wall: 1709.55, 0.00297455/step, 3.66085 hours remaining, 207.339844 MB of memory in use. ENERGY: 569400 730.2763 2091.0421 1930.7513 125.0665 -206302.2835 17703.9187 0.0000 0.0000 33939.7741 -149781.4546 296.4045 -183721.2287 -149683.5141 298.6425 -163.2327 -131.6576 557270.0501 -9.9727 -9.8661 PRESSURE: 569600 -42.0364 2.10995 91.4477 2.11026 -117.879 119.703 91.4473 119.704 -85.8933 GPRESSURE: 569600 -26.5397 11.2306 98.7332 -69.1184 -103.99 34.6316 190.524 81.5996 -12.4091 PRESSAVG: 569600 -46.3912 -16.1944 18.7442 -16.1944 13.3408 12.0117 18.7442 12.0117 48.8511 GPRESSAVG: 569600 -45.8516 -16.9588 17.7197 -14.9855 12.5778 13.1916 20.9663 9.95067 48.8491 TIMING: 569600 CPU: 1710.14, 0.0029729/step Wall: 1710.14, 0.0029729/step, 3.65865 hours remaining, 207.339844 MB of memory in use. ENERGY: 569600 777.7574 2097.3547 1949.8025 104.9670 -206475.2268 17709.5705 0.0000 0.0000 34146.3784 -149689.3963 298.2088 -183835.7747 -149588.6143 298.0140 -81.9364 -47.6464 555392.8956 5.2669 5.1918 PRESSURE: 569800 -13.7768 55.743 338.176 55.7425 21.0661 28.6659 338.176 28.6665 -158.538 GPRESSURE: 569800 39.1082 50.0426 304.091 -28.6883 62.8995 58.3868 318.014 25.4131 -166.337 PRESSAVG: 569800 4.25806 -77.785 29.0167 -77.785 52.9996 48.3971 29.0167 48.3971 -64.3043 GPRESSAVG: 569800 3.25278 -77.0849 28.3306 -79.7538 53.6527 45.6352 29.2214 49.9646 -63.474 TIMING: 569800 CPU: 1710.74, 0.00298514/step Wall: 1710.74, 0.00298514/step, 3.67355 hours remaining, 207.339844 MB of memory in use. ENERGY: 569800 719.9504 2167.8805 1929.4666 125.5999 -206777.5039 17945.9163 0.0000 0.0000 34043.5555 -149845.1347 297.3108 -183888.6902 -149759.0902 297.5806 -50.4164 -21.4431 556311.3246 -2.3489 -2.1895 PRESSURE: 570000 -160.731 -110.063 67.7685 -110.063 -249.941 227.634 67.7696 227.632 -167.647 GPRESSURE: 570000 -127.182 -171.303 62.5646 -47.0512 -181.644 218.608 119.907 184.864 -171.984 PRESSAVG: 570000 -46.0611 -2.25872 71.5106 -2.25868 40.693 44.0746 71.5107 44.0746 13.2181 GPRESSAVG: 570000 -45.1186 -1.2602 72.8046 -1.9176 40.4138 45.8916 69.3803 44.6857 12.5282 TIMING: 570000 CPU: 1711.34, 0.00303523/step Wall: 1711.34, 0.00303523/step, 3.73502 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: 570000 724.7662 2166.8433 1950.9892 115.0289 -206093.5818 17516.7700 0.0000 0.0000 34026.4572 -149592.7271 297.1615 -183619.1843 -149489.2366 297.6886 -192.7731 -160.2699 557574.6350 2.6167 2.6078 PRESSURE: 570200 -100.575 244.223 -140.913 244.224 -85.5163 -17.7346 -140.914 -17.7352 109.285 GPRESSURE: 570200 -59.3484 239.727 -133.925 222.506 -15.734 35.3588 -113.867 -42.1239 94.5412 PRESSAVG: 570200 -46.8951 38.3251 -5.90997 38.3251 16.0835 58.4056 -5.9099 58.4058 38.5168 GPRESSAVG: 570200 -47.5199 36.3313 -6.85146 39.3243 16.0384 56.1379 -3.54528 57.0249 38.9727 TIMING: 570200 CPU: 1711.95, 0.00304764/step Wall: 1711.95, 0.00304764/step, 3.75012 hours remaining, 207.339844 MB of memory in use. ENERGY: 570200 750.5264 2111.5401 1939.4305 117.9777 -206428.5199 17902.5245 0.0000 0.0000 34031.2241 -149575.2968 297.2031 -183606.5209 -149477.3681 298.5571 -25.6019 6.4862 557073.8694 2.5684 2.4970 PRESSURE: 570400 -39.453 66.6201 -8.26496 66.6207 66.9562 -136.764 -8.26516 -136.764 278.786 GPRESSURE: 570400 -25.466 61.8601 21.76 59.9689 104.194 -46.5184 -23.9452 -170.005 329.345 PRESSAVG: 570400 -45.6482 47.1226 26.1364 47.1227 23.0356 66.9003 26.1363 66.9004 -7.94787 GPRESSAVG: 570400 -45.9067 47.5234 24.374 46.057 23.0626 66.9981 26.9802 67.1596 -7.6833 TIMING: 570400 CPU: 1712.56, 0.00302694/step Wall: 1712.56, 0.00302694/step, 3.72448 hours remaining, 207.339844 MB of memory in use. ENERGY: 570400 727.9444 2194.5441 1939.8365 129.6568 -206295.9911 17857.9399 0.0000 0.0000 33975.8141 -149470.2553 296.7192 -183446.0695 -149381.0399 298.3554 102.0965 136.0244 556825.4947 -10.1868 -10.1758 PRESSURE: 570600 -92.2974 -159.786 -57.0327 -159.786 -86.6788 165.888 -57.0333 165.888 -351.476 GPRESSURE: 570600 -87.0461 -181.174 -93.6806 -158.4 -40.3234 233.023 -81.5223 142.766 -301.967 PRESSAVG: 570600 -40.513 1.25036 0.88043 1.25033 38.5048 27.5647 0.880471 27.5647 -41.8181 GPRESSAVG: 570600 -40.2751 0.462278 1.95491 2.06554 38.4787 27.0358 -1.18508 27.9046 -41.925 TIMING: 570600 CPU: 1713.16, 0.00301096/step Wall: 1713.16, 0.00301096/step, 3.70465 hours remaining, 207.339844 MB of memory in use. ENERGY: 570600 763.8360 2108.8852 1955.3699 122.5862 -206140.3177 17642.0497 0.0000 0.0000 34136.8489 -149410.7418 298.1256 -183547.5907 -149315.6925 298.2950 -176.8176 -143.1121 557198.5765 -14.6087 -14.5738 PRESSURE: 570800 -170.763 158.307 -97.5432 158.306 303.56 -169.482 -97.544 -169.482 173.346 GPRESSURE: 570800 -97.2525 178.071 -44.9745 201.107 297.329 -173.702 -79.3034 -166.098 203.427 PRESSAVG: 570800 -10.3696 8.56757 12.5246 8.56762 47.5605 1.11991 12.5247 1.1199 -36.2672 GPRESSAVG: 570800 -9.71268 10.4484 12.5668 7.45761 47.4941 3.1813 14.5872 -0.593249 -36.6771 TIMING: 570800 CPU: 1713.76, 0.00301299/step Wall: 1713.76, 0.00301299/step, 3.70698 hours remaining, 207.339844 MB of memory in use. ENERGY: 570800 693.5516 2105.3144 1956.8463 112.9647 -206438.7463 17946.4204 0.0000 0.0000 34183.5901 -149440.0588 298.5338 -183623.6489 -149346.8010 298.6703 102.0477 134.5011 555479.9161 0.3079 0.3681 PRESSURE: 571000 -187.752 61.8041 33.482 61.8039 6.99041 -143.136 33.4825 -143.134 -242.742 GPRESSURE: 571000 -148.775 85.082 14.5007 59.7618 -2.78799 -179.702 29.0948 -106.302 -189.545 PRESSAVG: 571000 30.6844 64.5837 -28.8944 64.5838 0.0803002 -26.4235 -28.8943 -26.4235 -32.0855 GPRESSAVG: 571000 30.0982 63.9226 -27.6859 66.1862 -0.391096 -25.3613 -29.0143 -26.0465 -31.6453 TIMING: 571000 CPU: 1714.37, 0.00300737/step Wall: 1714.37, 0.00300737/step, 3.6999 hours remaining, 207.339844 MB of memory in use. ENERGY: 571000 791.1107 2124.8622 1962.2545 108.7888 -206027.7342 17587.0759 0.0000 0.0000 34098.2673 -149355.3748 297.7886 -183453.6421 -149258.5637 299.0691 -141.1680 -113.7026 556431.6390 -0.4402 -0.6460 PRESSURE: 571200 -151.745 -163.634 -218.731 -163.634 118.739 -116.407 -218.731 -116.409 -247.389 GPRESSURE: 571200 -112.017 -95.4585 -286.13 -236.115 177.464 -36.8685 -249.514 -108.514 -242.521 PRESSAVG: 571200 -30.3392 3.14066 -59.4893 3.14065 14.2526 -45.0434 -59.4893 -45.0434 -9.00296 GPRESSAVG: 571200 -31.2823 3.47475 -59.8045 3.71974 16.0069 -45.7964 -60.9682 -44.5307 -9.87408 TIMING: 571200 CPU: 1714.97, 0.00301227/step Wall: 1714.97, 0.00301227/step, 3.70576 hours remaining, 207.339844 MB of memory in use. ENERGY: 571200 773.5689 2117.1563 1936.3056 106.2042 -206498.9143 17924.9150 0.0000 0.0000 34259.8626 -149380.9016 299.1999 -183640.7642 -149277.8608 298.7394 -93.4648 -59.0248 557411.5912 -8.3632 -8.3832 PRESSURE: 571400 164.945 -82.7943 -17.2709 -82.7963 149.529 -54.6029 -17.271 -54.601 70.0905 GPRESSURE: 571400 193.113 -131.453 -26.2085 -100.864 133.082 -63.4395 15.0059 -101.001 138.595 PRESSAVG: 571400 -34.1911 23.0965 4.52191 23.0965 22.0829 -19.4898 4.52197 -19.4899 17.945 GPRESSAVG: 571400 -33.3685 23.6932 4.68207 21.2074 21.4654 -18.8621 4.98489 -20.396 17.6866 TIMING: 571400 CPU: 1715.57, 0.00300298/step Wall: 1715.57, 0.00300298/step, 3.69416 hours remaining, 207.339844 MB of memory in use. ENERGY: 571400 755.9289 2111.0089 1926.4533 110.2152 -206792.6213 18262.3777 0.0000 0.0000 34096.2624 -149530.3749 297.7711 -183626.6373 -149440.6117 298.7127 128.1883 154.9301 558540.0729 1.9456 1.9279 PRESSURE: 571600 -253.926 -181.934 28.9861 -181.933 -154.148 81.0527 28.9866 81.0533 -168.888 GPRESSURE: 571600 -239.273 -168.574 -58.4675 -158.626 -73.9779 130.512 114.725 35.3119 -169.213 PRESSAVG: 571600 -15.217 -53.8429 15.6395 -53.843 19.3342 -34.8311 15.6396 -34.8312 1.2568 GPRESSAVG: 571600 -15.5682 -56.1811 17.4942 -52.0437 18.8381 -36.7485 13.2586 -32.7807 1.91753 TIMING: 571600 CPU: 1716.17, 0.00299513/step Wall: 1716.17, 0.00299513/step, 3.68434 hours remaining, 207.339844 MB of memory in use. ENERGY: 571600 804.9693 2101.2325 1948.7777 121.3028 -206423.6877 17738.1479 0.0000 0.0000 34075.8560 -149633.4015 297.5929 -183709.2575 -149537.5319 297.9570 -192.3205 -160.8214 558099.4531 1.7913 1.7291 PRESSURE: 571800 131.539 7.12942 -148.858 7.12896 -134.504 10.463 -148.859 10.4613 -178.962 GPRESSURE: 571800 152.878 22.4415 -123.901 50.8801 -128.485 38.267 -142.3 -5.73022 -98.2447 PRESSAVG: 571800 -41.2621 9.98734 38.631 9.98732 46.1443 -41.8259 38.6311 -41.8259 -3.89366 GPRESSAVG: 571800 -40.8331 8.65366 37.2866 10.5897 46.734 -40.983 38.8833 -41.1265 -4.89859 TIMING: 571800 CPU: 1716.77, 0.0029983/step Wall: 1716.77, 0.0029983/step, 3.68807 hours remaining, 207.339844 MB of memory in use. ENERGY: 571800 783.6473 2086.3328 1942.7459 107.4776 -206632.9881 17826.4383 0.0000 0.0000 34300.2224 -149586.1238 299.5524 -183886.3462 -149488.9571 298.6439 -60.6421 -24.6171 556957.4496 0.3295 0.3341 PRESSURE: 572000 73.0426 -218.834 -11.2657 -218.834 102.338 22.4513 -11.2662 22.4515 -263.518 GPRESSURE: 572000 117.982 -166.551 86.1498 -334.496 114.749 65.9429 -56.9758 -1.00612 -222.147 PRESSAVG: 572000 9.44852 -17.7741 8.30496 -17.7741 0.631809 51.1668 8.30499 51.1667 -32.064 GPRESSAVG: 572000 8.84552 -16.588 7.8078 -17.1246 1.04901 51.4668 8.54976 51.0074 -32.15 TIMING: 572000 CPU: 1717.37, 0.00300016/step Wall: 1717.37, 0.00300016/step, 3.6902 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: 572000 772.6221 2101.3751 1967.1449 110.6047 -206326.5771 17800.0579 0.0000 0.0000 33897.9662 -149676.8062 296.0394 -183574.7724 -149584.1196 298.1916 -29.3790 3.5278 557442.1223 -7.3279 -7.4185 PRESSURE: 572200 -97.3 98.561 182.767 98.5621 -51.7422 135.439 182.766 135.438 24.9985 GPRESSURE: 572200 -48.7894 73.5106 120.968 96.3406 -36.2373 142.192 58.7678 73.0411 66.023 PRESSAVG: 572200 10.1819 -53.3912 31.7769 -53.3913 43.2075 -24.8935 31.7769 -24.8934 -26.5154 GPRESSAVG: 572200 10.6629 -52.8561 33.0203 -54.7991 42.4985 -25.0073 31.044 -26.2753 -26.4504 TIMING: 572200 CPU: 1717.97, 0.00299421/step Wall: 1717.97, 0.00299421/step, 3.68271 hours remaining, 207.339844 MB of memory in use. ENERGY: 572200 746.1265 2059.5882 1963.9325 115.4671 -206709.6284 17954.5461 0.0000 0.0000 34184.4762 -149685.4918 298.5415 -183869.9680 -149587.1075 298.0729 -41.3479 -6.3346 557664.6023 8.9580 8.9037 LDB: ============= START OF LOAD BALANCING ============== 1721.48 LDB: ============== END OF LOAD BALANCING =============== 1721.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1721.48 LDB: ============= START OF LOAD BALANCING ============== 1721.78 LDB: Largest compute 4772 load 0.029397 is 24.9% of average load 0.117870 LDB: Average compute 0.001733 is 1.5% of average load 0.117870 LDB: TIME 1721.78 LOAD: AVG 0.11787 MAX 0.20516 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.016 MB LDB: TIME 1721.78 LOAD: AVG 0.11787 MAX 0.20516 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.219 MB LDB: TIME 1721.78 LOAD: AVG 0.11787 MAX 0.20516 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.219 MB LDB: ============== END OF LOAD BALANCING =============== 1721.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1721.79 PRESSURE: 572400 -139.568 6.09323 -95.5717 6.09255 46.4584 84.4387 -95.571 84.4375 42.2339 GPRESSURE: 572400 -47.9818 -53.6921 -78.7072 0.217521 27.4859 121.092 -122.396 29.8902 70.885 PRESSAVG: 572400 10.0563 -64.3011 40.6455 -64.301 -70.3069 -40.2045 40.6456 -40.2045 48.3041 GPRESSAVG: 572400 9.70296 -62.6104 39.7423 -64.9304 -70.6813 -39.7543 39.7955 -40.8804 49.0257 TIMING: 572400 CPU: 1718.57, 0.00303586/step Wall: 1718.57, 0.00303586/step, 3.73377 hours remaining, 206.000000 MB of memory in use. ENERGY: 572400 751.6491 2071.4562 1952.4972 108.5385 -206777.4307 17936.1361 0.0000 0.0000 34332.9070 -149624.2465 299.8378 -183957.1535 -149529.6885 298.1715 -16.9587 16.7964 557730.5762 -3.9822 -3.9842 PRESSURE: 572600 -392.703 25.9833 147.633 25.9826 -255.31 -19.9486 147.634 -19.9498 -240.714 GPRESSURE: 572600 -371.546 53.7101 69.3626 14.7289 -248.48 86.2892 196.627 -70.6026 -163.259 PRESSAVG: 572600 19.3719 -51.196 -7.01354 -51.196 13.0868 27.5004 -7.01358 27.5003 -27.7415 GPRESSAVG: 572600 18.3837 -51.6137 -7.50066 -50.652 13.5489 25.4716 -5.75023 30.3648 -27.3603 TIMING: 572600 CPU: 1719.17, 0.00297702/step Wall: 1719.17, 0.00297702/step, 3.66124 hours remaining, 206.000000 MB of memory in use. ENERGY: 572600 721.4617 2124.4484 1932.2481 118.6893 -206427.1049 17678.4291 0.0000 0.0000 34182.6282 -149669.2003 298.5254 -183851.8285 -149572.0494 298.5840 -296.2421 -261.0952 558884.4978 1.5724 1.5241 PRESSURE: 572800 -169.007 122.229 59.9996 122.228 248.521 95.7411 59.9989 95.7413 56.3712 GPRESSURE: 572800 -146.416 91.862 59.3624 123.066 235.61 54.6796 45.4056 138.895 144.519 PRESSAVG: 572800 -1.39745 -10.3507 11.0095 -10.3509 -17.8736 19.729 11.0095 19.7289 18.9588 GPRESSAVG: 572800 -1.41165 -10.3649 9.70575 -11.4507 -17.9401 20.4227 11.2642 17.0504 18.8596 TIMING: 572800 CPU: 1719.77, 0.00300092/step Wall: 1719.77, 0.00300092/step, 3.69046 hours remaining, 206.000000 MB of memory in use. ENERGY: 572800 737.7373 2077.1831 1968.7203 111.3472 -206573.8730 17967.4259 0.0000 0.0000 34148.8563 -149562.6029 298.2305 -183711.4592 -149468.4737 298.4617 45.2953 77.9045 558347.4503 -0.1041 -0.1640 PRESSURE: 573000 108.421 50.5285 -24.5711 50.5275 -8.4442 27.6779 -24.5694 27.6779 84.3307 GPRESSURE: 573000 121.547 -16.1361 1.05428 60.3538 53.1542 -11.1071 13.8521 103.432 103.062 PRESSAVG: 573000 -11.8431 5.10471 55.5019 5.10476 100.694 -32.2828 55.5019 -32.2828 -84.8903 GPRESSAVG: 573000 -11.4853 4.35728 55.8434 6.63411 100.1 -30.2406 55.7861 -32.2804 -84.3006 TIMING: 573000 CPU: 1720.37, 0.00300155/step Wall: 1720.37, 0.00300155/step, 3.69108 hours remaining, 206.000000 MB of memory in use. ENERGY: 573000 733.6056 2113.6563 1923.9886 129.2343 -206750.3651 17947.6436 0.0000 0.0000 34260.5996 -149641.6371 299.2063 -183902.2366 -149546.1001 298.4790 61.4359 92.5876 555992.5883 1.3201 1.4379 PRESSURE: 573200 -72.7492 -75.4951 170.346 -75.4963 18.0347 40.0796 170.346 40.0797 75.9763 GPRESSURE: 573200 -63.7231 -113.171 229.065 21.4035 71.6182 39.4616 86.4937 -10.5101 117.511 PRESSAVG: 573200 -41.2501 -31.8964 7.24267 -31.8964 23.4243 1.19185 7.24256 1.19191 -6.22507 GPRESSAVG: 573200 -41.1962 -30.9924 8.09586 -32.3103 24.1918 -0.740854 4.74736 -0.146735 -6.857 TIMING: 573200 CPU: 1720.97, 0.00299645/step Wall: 1720.97, 0.00299645/step, 3.68463 hours remaining, 206.000000 MB of memory in use. ENERGY: 573200 736.6423 2150.5759 1948.9042 122.8100 -206964.5146 18008.0533 0.0000 0.0000 34196.1924 -149801.3366 298.6439 -183997.5290 -149707.2003 297.8781 7.0873 41.8021 557063.7465 -8.0170 -7.9538 PRESSURE: 573400 -100.703 44.7882 47.7683 44.7886 -13.7506 -141.17 47.768 -141.168 3.03341 GPRESSURE: 573400 14.591 -19.2252 29.392 97.193 -25.7785 -83.2553 -8.21002 -152.586 9.06209 PRESSAVG: 573400 -93.783 -37.9592 11.8193 -37.9592 51.8948 19.9851 11.8194 19.9851 117.431 GPRESSAVG: 573400 -92.2151 -37.4693 11.7492 -36.9521 50.4754 18.1754 12.8872 22.2773 117.543 TIMING: 573400 CPU: 1721.57, 0.00302916/step Wall: 1721.57, 0.00302916/step, 3.72468 hours remaining, 206.000000 MB of memory in use. ENERGY: 573400 776.3173 2080.1484 1943.9748 112.7469 -206367.1137 17800.3991 0.0000 0.0000 33847.9999 -149805.5272 295.6030 -183653.5271 -149716.6013 297.8595 -37.1401 -0.7085 557056.9580 25.1810 25.2679 PRESSURE: 573600 151.429 -160.779 -96.6572 -160.78 111.022 -3.50104 -96.657 -3.50111 -104.913 GPRESSURE: 573600 86.7627 -161.633 -31.6465 -96.806 182.969 -30.7586 -127.675 19.795 -22.3667 PRESSAVG: 573600 8.55114 -30.4526 -62.3182 -30.4526 -61.1331 -11.2546 -62.3183 -11.2544 1.4732 GPRESSAVG: 573600 5.79732 -29.6341 -61.9116 -31.8299 -59.2365 -10.3287 -60.6583 -14.1474 2.16673 TIMING: 573600 CPU: 1722.17, 0.00299435/step Wall: 1722.17, 0.00299435/step, 3.68172 hours remaining, 206.000000 MB of memory in use. ENERGY: 573600 763.1981 2138.6655 1973.2219 121.7621 -207036.6609 18182.1684 0.0000 0.0000 34117.7982 -149739.8466 297.9592 -183857.6448 -149646.9497 297.6334 52.5128 82.4550 556431.3245 -17.0363 -17.0908 PRESSURE: 573800 -35.8804 28.8532 -4.01433 28.8527 88.6133 42.5037 -4.0147 42.5039 186.764 GPRESSURE: 573800 59.5861 -27.9163 -85.6012 116.772 133.185 -24.068 -10.2602 -23.819 149.69 PRESSAVG: 573800 -45.1381 -34.6088 -1.23812 -34.6088 14.2361 -9.13522 -1.23807 -9.13519 36.7098 GPRESSAVG: 573800 -43.6961 -35.283 -1.99948 -33.9157 14.04 -9.62817 -1.87495 -7.416 35.3302 TIMING: 573800 CPU: 1722.77, 0.00300137/step Wall: 1722.77, 0.00300137/step, 3.69018 hours remaining, 206.000000 MB of memory in use. ENERGY: 573800 755.1505 2062.5220 1952.7448 119.6011 -206589.7599 18000.7159 0.0000 0.0000 33957.0945 -149741.9310 296.5558 -183699.0255 -149641.1536 297.8951 79.8323 114.1540 556219.4160 1.9359 1.8913 PRESSURE: 574000 100.867 63.589 -70.7154 63.588 -117.527 -36.5081 -70.7157 -36.5087 -132.51 GPRESSURE: 574000 193.383 79.4233 -109.148 6.20909 -136.294 -8.53716 -70.1239 -109.328 -105.386 PRESSAVG: 574000 -0.229673 -58.6196 -17.4183 -58.6196 -15.9861 -20.8465 -17.4183 -20.8465 -0.211009 GPRESSAVG: 574000 -0.55223 -60.4553 -19.0239 -56.9389 -15.4178 -18.2342 -17.024 -21.289 -0.808213 TIMING: 574000 CPU: 1723.38, 0.00302346/step Wall: 1723.38, 0.00302346/step, 3.71718 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: 574000 775.0714 2107.0601 1933.8227 99.1354 -206628.8364 17796.2747 0.0000 0.0000 34142.3395 -149775.1325 298.1735 -183917.4720 -149685.0557 298.0304 -49.7231 -16.0990 556625.0012 -5.4756 -5.5928 PRESSURE: 574200 -141.909 -172.861 105.047 -172.86 10.6165 -105.969 105.047 -105.969 45.3715 GPRESSURE: 574200 -179.848 -228.734 118.417 -33.1924 107.267 -169.208 126.206 -113.319 84.3319 PRESSAVG: 574200 10.0003 5.56725 -38.3632 5.56726 -17.4352 -64.5877 -38.3632 -64.5877 32.351 GPRESSAVG: 574200 9.54564 6.54129 -37.2111 3.95134 -18.9051 -67.5057 -38.2426 -63.337 34.4765 TIMING: 574200 CPU: 1723.98, 0.00302421/step Wall: 1723.98, 0.00302421/step, 3.71793 hours remaining, 206.000000 MB of memory in use. ENERGY: 574200 812.1513 2123.0406 1926.6008 119.0643 -206631.1598 17808.2096 0.0000 0.0000 34098.8752 -149743.2180 297.7940 -183842.0932 -149646.0572 297.9946 -28.6402 3.9170 555725.4201 8.3054 8.3723 PRESSURE: 574400 -320.468 -79.7633 -128.648 -79.7633 -126.305 56.9771 -128.648 56.9788 72.8405 GPRESSURE: 574400 -259.99 -137.717 -189.144 -102.47 -124.181 79.6668 -122.728 63.3245 114.848 PRESSAVG: 574400 -14.144 -3.33496 -5.0262 -3.33492 -42.7332 9.36641 -5.02617 9.36639 2.04625 GPRESSAVG: 574400 -13.232 -3.00598 -4.76373 -3.34554 -42.2961 10.4685 -3.45187 5.69896 0.491592 TIMING: 574400 CPU: 1724.59, 0.00301182/step Wall: 1724.59, 0.00301182/step, 3.70253 hours remaining, 206.000000 MB of memory in use. ENERGY: 574400 754.3798 2086.7274 1945.4276 108.9457 -206401.3226 17632.0971 0.0000 0.0000 34151.5268 -149722.2183 298.2538 -183873.7451 -149628.8366 298.5676 -124.6440 -89.7747 556252.6148 -18.2770 -18.3455 PRESSURE: 574600 -238.568 -85.5367 -24.6309 -85.5375 -166.813 -26.015 -24.6304 -26.0152 -140.388 GPRESSURE: 574600 -263.565 -57.5297 -98.2355 -68.3906 -152.334 59.5055 21.6135 -69.4543 -28.1577 PRESSAVG: 574600 53.666 -20.1131 3.34705 -20.1131 -29.3363 28.854 3.34704 28.8539 -3.23574 GPRESSAVG: 574600 51.8993 -18.1561 4.85093 -21.2127 -27.9262 27.9748 -0.332109 33.2224 -2.86209 TIMING: 574600 CPU: 1725.19, 0.00301317/step Wall: 1725.19, 0.00301317/step, 3.70402 hours remaining, 206.000000 MB of memory in use. ENERGY: 574600 736.9867 2125.5058 1945.0857 116.7008 -206218.0742 17611.5044 0.0000 0.0000 34043.0849 -149639.2058 297.3067 -183682.2907 -149544.6664 298.0456 -181.9232 -148.0186 553992.4041 7.0313 7.0370 PRESSURE: 574800 170.561 56.0481 -13.3648 56.0485 -245.485 -39.2026 -13.3649 -39.2026 11.9901 GPRESSURE: 574800 189.627 3.96418 26.9901 190.724 -213.733 -24.288 2.71533 50.28 83.6497 PRESSAVG: 574800 20.251 30.0557 -8.39578 30.0558 45.4841 2.4399 -8.39573 2.4399 -15.9997 GPRESSAVG: 574800 20.3319 26.6733 -8.59437 32.2096 44.6999 3.72645 -7.86764 -0.124294 -15.4119 TIMING: 574800 CPU: 1725.79, 0.00301243/step Wall: 1725.79, 0.00301243/step, 3.70294 hours remaining, 206.000000 MB of memory in use. ENERGY: 574800 762.2586 2083.5111 1947.5626 119.9517 -206414.8588 17556.7845 0.0000 0.0000 34323.0328 -149621.7575 299.7516 -183944.7903 -149529.3497 298.7584 -20.9782 19.8476 553624.2532 16.5785 16.5400 PRESSURE: 575000 487.386 -17.1295 -26.9859 -17.1302 288.986 31.4628 -26.9872 31.4625 227.29 GPRESSURE: 575000 524.455 59.704 -91.9759 -19.046 329.79 -47.1468 59.6877 80.1899 235.178 PRESSAVG: 575000 54.8636 29.1331 -53.1945 29.1331 0.235641 13.6607 -53.1944 13.6605 -47.9418 GPRESSAVG: 575000 54.3285 29.7983 -54.5564 27.5478 0.337079 12.7931 -51.5114 12.9213 -47.4776 TIMING: 575000 CPU: 1726.39, 0.00300159/step Wall: 1726.39, 0.00300159/step, 3.68945 hours remaining, 206.000000 MB of memory in use. ENERGY: 575000 726.0552 2066.4477 1946.7263 116.8280 -206847.7517 18314.8889 0.0000 0.0000 34134.9376 -149541.8681 298.1089 -183676.8056 -149449.0481 298.5131 334.5538 363.1411 553714.5169 2.3858 2.3960 PRESSURE: 575200 48.4389 187.011 3.32807 187.012 -53.1636 87.2925 3.32706 87.2925 -152.594 GPRESSURE: 575200 70.5033 243.28 -66.5106 182.878 -25.5338 107.856 25.2602 111.874 -110.107 PRESSAVG: 575200 -16.3139 54.4489 -22.7374 54.449 -54.6726 23.6236 -22.7374 23.6237 25.3719 GPRESSAVG: 575200 -14.6055 55.1296 -20.9153 54.555 -54.8987 22.3796 -22.3681 25.2842 24.2732 TIMING: 575200 CPU: 1726.99, 0.00299249/step Wall: 1726.99, 0.00299249/step, 3.6781 hours remaining, 206.000000 MB of memory in use. ENERGY: 575200 774.7524 2129.4572 1953.9649 106.8493 -206443.9834 17705.0850 0.0000 0.0000 34100.9900 -149672.8845 297.8124 -183773.8745 -149578.9923 298.1120 -52.4397 -21.7125 556666.2577 -15.2049 -15.0770 PRESSURE: 575400 -169.617 145.396 -33.8579 145.396 -82.3223 99.7511 -33.8588 99.7497 -232.557 GPRESSURE: 575400 -148.712 156.27 -47.7697 217.118 -43.5175 91.7847 -20.4693 51.6702 -184.677 PRESSAVG: 575400 -8.02051 87.6593 -72.7438 87.6593 -56.4117 8.74907 -72.7438 8.74887 52.1872 GPRESSAVG: 575400 -7.84066 89.5864 -73.8106 85.3059 -56.0972 10.4787 -72.3722 7.31577 51.7638 TIMING: 575400 CPU: 1727.59, 0.00299159/step Wall: 1727.59, 0.00299159/step, 3.67683 hours remaining, 206.000000 MB of memory in use. ENERGY: 575400 769.8593 2028.5146 1939.9168 116.0379 -206629.0870 17708.0672 0.0000 0.0000 34406.2192 -149660.4720 300.4781 -184066.6912 -149557.5084 298.3824 -161.4989 -125.6355 557033.2099 -4.0817 -4.0580 PRESSURE: 575600 217.42 178.083 -8.12377 178.082 -185.379 131.032 -8.12473 131.031 10.2425 GPRESSURE: 575600 240.238 157.453 -34.5839 180.28 -154.356 165.115 50.6619 113.613 35.7667 PRESSAVG: 575600 -48.2335 82.9546 -31.7547 82.9545 36.1899 16.0763 -31.7546 16.0763 8.47191 GPRESSAVG: 575600 -49.3087 81.1547 -31.9665 84.7641 35.513 17.2605 -31.9302 16.7429 10.7616 TIMING: 575600 CPU: 1728.19, 0.00301134/step Wall: 1728.19, 0.00301134/step, 3.70093 hours remaining, 206.000000 MB of memory in use. ENERGY: 575600 753.0258 2056.1636 1952.0124 112.9526 -206989.1790 18122.9923 0.0000 0.0000 34271.8253 -149720.2070 299.3044 -183992.0323 -149616.8456 298.2043 14.0946 40.5494 557178.5854 -1.1905 -1.0114 PRESSURE: 575800 -85.306 27.6723 -142.078 27.6725 -15.5024 -89.5188 -142.08 -89.5186 43.2268 GPRESSURE: 575800 -35.3094 12.8788 -108.091 35.1651 29.4081 -166.428 -100.143 -55.5792 38.5147 PRESSAVG: 575800 6.57869 -10.9445 13.3283 -10.9445 -14.8202 13.9495 13.3283 13.9496 49.5235 GPRESSAVG: 575800 8.36066 -12.1615 13.8538 -9.34921 -13.8394 11.9656 13.4926 14.774 47.0776 TIMING: 575800 CPU: 1728.79, 0.00299943/step Wall: 1728.79, 0.00299943/step, 3.68614 hours remaining, 206.000000 MB of memory in use. ENERGY: 575800 764.1943 2089.0083 1939.7521 109.7216 -206972.9562 18100.7598 0.0000 0.0000 34094.4314 -149875.0886 297.7551 -183969.5200 -149780.7017 297.7298 -19.1939 10.8711 557889.5305 13.7607 13.8663 PRESSURE: 576000 -160.121 44.6304 123.758 44.6295 25.3282 -0.39304 123.758 -0.393311 74.3387 GPRESSURE: 576000 -140.639 93.4838 114.853 -58.5079 84.4546 -22.2914 101.37 -35.325 91.8249 PRESSAVG: 576000 54.9749 -54.8001 -15.6076 -54.8002 -51.1522 0.322042 -15.6076 0.321985 -35.9542 GPRESSAVG: 576000 54.084 -53.9096 -16.6288 -56.4488 -50.5385 0.764933 -14.2943 0.967192 -35.4456 TIMING: 576000 CPU: 1729.39, 0.00297555/step Wall: 1729.39, 0.00297555/step, 3.65662 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: 576000 733.7178 2057.0314 1994.6836 139.1723 -207041.8695 18062.6466 0.0000 0.0000 34281.3709 -149773.2468 299.3877 -184054.6177 -149682.0162 298.5236 -20.1513 11.8800 557863.9619 -10.7105 -10.6334 PRESSURE: 576200 101.463 -62.7449 -20.7791 -62.7436 233.756 -161.952 -20.7796 -161.953 26.2639 GPRESSURE: 576200 152.233 -11.9017 23.321 -63.3465 265.35 -156.37 -92.4373 -234.13 28.1818 PRESSAVG: 576200 17.752 39.9795 -23.6601 39.9795 -24.754 -5.3158 -23.6601 -5.31578 -15.9203 GPRESSAVG: 576200 17.8863 40.1625 -23.0049 40.638 -25.9993 -5.29854 -23.8509 -6.44287 -15.6116 TIMING: 576200 CPU: 1729.99, 0.00301318/step Wall: 1729.99, 0.00301318/step, 3.70269 hours remaining, 206.000000 MB of memory in use. ENERGY: 576200 734.9316 2188.0642 1949.8088 103.2172 -207089.6954 18113.0137 0.0000 0.0000 34234.8664 -149765.7934 298.9816 -184000.6599 -149673.7838 298.3060 120.4942 148.5882 556289.7107 -7.6408 -7.9082 LDB: ============= START OF LOAD BALANCING ============== 1733.51 LDB: ============== END OF LOAD BALANCING =============== 1733.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1733.51 LDB: ============= START OF LOAD BALANCING ============== 1733.82 LDB: Largest compute 4772 load 0.031014 is 26.3% of average load 0.117852 LDB: Average compute 0.001737 is 1.5% of average load 0.117852 LDB: TIME 1733.82 LOAD: AVG 0.117852 MAX 0.210367 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.082 MB LDB: TIME 1733.82 LOAD: AVG 0.117852 MAX 0.210367 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.082 MB LDB: TIME 1733.82 LOAD: AVG 0.117852 MAX 0.210367 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.082 MB LDB: ============== END OF LOAD BALANCING =============== 1733.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1733.83 PRESSURE: 576400 101.849 74.4447 -105.293 74.4453 27.1561 -112.246 -105.292 -112.245 -185.793 GPRESSURE: 576400 208.663 64.8378 -94.908 -94.0398 -11.9935 -202.121 -121.953 -136.923 -161.963 PRESSAVG: 576400 69.0166 31.6894 -23.6779 31.6894 -56.9544 -45.7902 -23.6778 -45.7901 -14.77 GPRESSAVG: 576400 68.5286 31.5262 -23.9424 31.6099 -56.6332 -45.6763 -26.7796 -45.2208 -14.9594 TIMING: 576400 CPU: 1730.61, 0.00310397/step Wall: 1730.61, 0.00310397/step, 3.81409 hours remaining, 206.570312 MB of memory in use. ENERGY: 576400 752.6046 2053.2977 1959.4386 123.6430 -206734.6056 17948.2600 0.0000 0.0000 34227.7112 -149669.6506 298.9191 -183897.3617 -149574.8528 298.2505 -18.9293 11.5687 555646.4134 -0.9026 -1.0213 PRESSURE: 576600 10.0635 18.5494 99.3798 18.5476 22.4941 72.099 99.379 72.0993 -62.3702 GPRESSURE: 576600 50.4511 58.6001 64.6035 2.22161 66.3888 137.89 133.979 16.5215 -43.4895 PRESSAVG: 576600 -10.286 43.4644 -41.0759 43.4645 42.1045 -34.1708 -41.0759 -34.1708 -24.8274 GPRESSAVG: 576600 -9.63963 44.114 -41.664 43.214 42.7951 -34.5505 -38.1827 -35.2445 -25.302 TIMING: 576600 CPU: 1731.21, 0.00302855/step Wall: 1731.21, 0.00302855/step, 3.72124 hours remaining, 206.570312 MB of memory in use. ENERGY: 576600 786.9201 2065.0171 1935.7737 112.3836 -206432.4950 17795.2926 0.0000 0.0000 34135.0317 -149602.0762 298.1097 -183737.1079 -149505.1069 298.5273 -9.9375 24.4501 556406.6524 2.3304 2.6178 PRESSURE: 576800 -92.5587 52.2234 167.596 52.2219 -84.9576 12.7825 167.595 12.7811 296.705 GPRESSURE: 576800 -18.6215 8.09561 160.122 -39.0796 -64.6682 37.411 113.744 58.6524 310.795 PRESSAVG: 576800 47.867 4.37275 24.0121 4.37265 8.62145 -17.4285 24.012 -17.4286 -35.6105 GPRESSAVG: 576800 45.667 3.3427 25.563 5.42501 9.07632 -18.3633 22.6465 -18.2619 -33.5979 TIMING: 576800 CPU: 1731.82, 0.00303043/step Wall: 1731.82, 0.00303043/step, 3.72339 hours remaining, 206.570312 MB of memory in use. ENERGY: 576800 742.2954 2064.1615 1920.8399 108.9136 -206261.4538 17883.2324 0.0000 0.0000 34130.5013 -149411.5098 298.0702 -183542.0111 -149311.5604 298.9287 39.7294 75.8353 557525.0514 6.9593 7.0485 PRESSURE: 577000 -100.515 -143.924 110.918 -143.923 108.141 -264.835 110.918 -264.835 124.491 GPRESSURE: 577000 -91.3839 -79.7858 24.449 -205.978 151.914 -260.443 115.808 -182.534 165.277 PRESSAVG: 577000 0.32418 55.2075 55.3455 55.2075 -25.6405 -72.9661 55.3454 -72.966 17.5501 GPRESSAVG: 577000 1.71993 54.3802 53.812 55.0077 -28.1867 -71.9096 56.7566 -70.4302 18.6158 TIMING: 577000 CPU: 1732.42, 0.00298735/step Wall: 1732.42, 0.00298735/step, 3.67029 hours remaining, 206.570312 MB of memory in use. ENERGY: 577000 796.3795 2128.6060 1944.4825 99.5831 -206741.5624 18025.9529 0.0000 0.0000 34191.7905 -149554.7679 298.6054 -183746.5583 -149464.0682 298.4869 44.0391 75.2693 557089.5198 -2.5887 -2.6170 PRESSURE: 577200 111.805 -38.9717 -9.87919 -38.9722 98.6547 -103.418 -9.87825 -103.419 161.19 GPRESSURE: 577200 153.091 -85.6724 -72.1512 17.1578 80.3505 -137.026 30.7367 -87.2003 241.155 PRESSAVG: 577200 -74.4141 -54.4656 -24.9635 -54.4655 25.7652 16.3296 -24.9634 16.3294 52.8964 GPRESSAVG: 577200 -74.7927 -52.2678 -23.9357 -53.7685 28.3583 15.3766 -25.789 16.4742 50.7376 TIMING: 577200 CPU: 1733.02, 0.00300435/step Wall: 1733.02, 0.00300435/step, 3.69102 hours remaining, 206.570312 MB of memory in use. ENERGY: 577200 743.8958 2093.4757 1951.1429 117.0229 -206718.9856 18000.5315 0.0000 0.0000 34339.2287 -149473.6881 299.8930 -183812.9168 -149369.7956 298.8992 123.8832 158.1990 557852.6856 1.4158 1.4344 PRESSURE: 577400 -113.901 30.5042 -29.7917 30.5038 -90.2946 116.95 -29.7914 116.952 -393.575 GPRESSURE: 577400 -21.6086 -49.5654 -20.4445 89.1256 -52.9869 154.487 32.3063 140.669 -422.948 PRESSAVG: 577400 2.12164 44.7246 8.86053 44.7246 -13.6072 -17.0901 8.86052 -17.0902 21.2299 GPRESSAVG: 577400 3.10155 44.5218 8.80826 43.2869 -15.4986 -18.2436 9.90474 -16.7137 23.4818 TIMING: 577400 CPU: 1733.62, 0.00302007/step Wall: 1733.62, 0.00302007/step, 3.71015 hours remaining, 206.570312 MB of memory in use. ENERGY: 577400 745.8929 2127.6755 1923.6711 118.7282 -206316.0798 17783.7145 0.0000 0.0000 34098.4293 -149517.9683 297.7901 -183616.3976 -149409.3455 299.1228 -199.2571 -165.8478 559689.1837 3.2481 3.6949 PRESSURE: 577600 8.16785 38.5853 115.047 38.5843 -52.0854 -38.5028 115.045 -38.5025 -56.9665 GPRESSURE: 577600 103.476 -40.4636 106.448 129.488 -71.9721 -77.0166 64.806 -14.1415 -35.5177 PRESSAVG: 577600 19.8568 21.2151 10.2822 21.2152 -4.5347 -5.18609 10.2822 -5.18602 -25.8833 GPRESSAVG: 577600 20.116 20.8333 10.4831 21.7198 -3.95042 -4.03581 9.40695 -8.04175 -26.4392 TIMING: 577600 CPU: 1734.22, 0.00299668/step Wall: 1734.22, 0.00299668/step, 3.68126 hours remaining, 206.570312 MB of memory in use. ENERGY: 577600 748.5066 2068.8625 1939.6281 113.7557 -206198.6420 17654.5215 0.0000 0.0000 34385.1140 -149288.2536 300.2938 -183673.3676 -149191.8241 299.4374 -33.6280 -1.3378 556243.4456 -3.5204 -3.4245 PRESSURE: 577800 -18.688 8.27762 67.6394 8.27686 -91.506 16.9195 67.6394 16.9202 -254.525 GPRESSURE: 577800 40.4116 -54.9756 12.5593 57.9403 -112.38 48.8634 107.446 -41.7299 -183.896 PRESSAVG: 577800 -17.7831 -49.7416 15.3148 -49.7416 -48.7081 -1.88624 15.3148 -1.88644 33.1068 GPRESSAVG: 577800 -17.8662 -50.5895 14.8896 -50.3068 -47.474 -0.796448 12.962 -0.348037 32.0395 TIMING: 577800 CPU: 1734.82, 0.00297682/step Wall: 1734.82, 0.00297682/step, 3.65669 hours remaining, 206.570312 MB of memory in use. ENERGY: 577800 733.8613 2118.2710 1903.3579 107.8353 -206201.8622 17694.4433 0.0000 0.0000 34351.3024 -149292.7910 299.9985 -183644.0933 -149187.0280 299.8680 -121.5730 -85.2881 557467.2744 -11.1281 -11.1002 PRESSURE: 578000 84.2352 -30.137 -111.623 -30.1378 157.157 -111.196 -111.624 -111.196 -19.0722 GPRESSURE: 578000 118.046 41.207 -157.467 -58.4601 174.212 -182.843 -119.186 -85.4916 26.7653 PRESSAVG: 578000 25.9425 -64.5753 -34.4039 -64.5753 -61.0111 13.7706 -34.4038 13.7704 17.8559 GPRESSAVG: 578000 26.4485 -64.4505 -33.7427 -63.0308 -62.2746 13.6597 -33.1666 13.9286 19.0474 TIMING: 578000 CPU: 1735.42, 0.00302186/step Wall: 1735.42, 0.00302186/step, 3.71185 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: 578000 691.4029 2112.1045 1948.9374 102.3036 -206408.0069 17874.6874 0.0000 0.0000 34400.7755 -149277.7957 300.4305 -183678.5711 -149171.6221 299.5579 74.1066 106.3412 557648.1378 -5.7376 -5.5929 PRESSURE: 578200 38.0235 38.2479 131.399 38.2477 -198.443 90.3241 131.398 90.3247 -11.8704 GPRESSURE: 578200 60.8508 -30.2731 167.883 17.9953 -180.266 36.942 91.4823 49.9845 37.5007 PRESSAVG: 578200 14.8085 -53.2025 -1.61378 -53.2025 -39.7341 -15.7994 -1.61373 -15.7992 18.5719 GPRESSAVG: 578200 13.9186 -52.9999 -2.08287 -51.6303 -39.5276 -18.5403 0.68086 -15.9853 18.7441 TIMING: 578200 CPU: 1736.02, 0.00300912/step Wall: 1736.02, 0.00300912/step, 3.69603 hours remaining, 206.570312 MB of memory in use. ENERGY: 578200 769.3389 2142.4135 1949.3613 114.4345 -206266.5487 17805.3620 0.0000 0.0000 34297.4400 -149188.1987 299.5281 -183485.6387 -149089.8738 299.6961 -57.4298 -27.3047 558062.0108 -2.1179 -2.2883 PRESSURE: 578400 -67.731 -232.465 119.169 -232.464 20.5752 30.4319 119.167 30.4307 -115.086 GPRESSURE: 578400 -67.4966 -278.314 95.93 -227.468 56.0656 -75.7122 71.4023 79.5578 -49.9838 PRESSAVG: 578400 -6.83196 -82.8881 55.8181 -82.8879 14.2608 -59.316 55.818 -59.316 -87.8192 GPRESSAVG: 578400 -6.37898 -83.2951 52.9667 -85.5988 14.4223 -57.2789 55.7457 -59.8326 -87.9098 TIMING: 578400 CPU: 1736.64, 0.00305733/step Wall: 1736.64, 0.00305733/step, 3.75508 hours remaining, 206.570312 MB of memory in use. ENERGY: 578400 751.6563 2090.0262 1930.0445 108.0036 -206196.2260 17826.5796 0.0000 0.0000 34247.2444 -149242.6714 299.0897 -183489.9159 -149151.1053 299.7514 -54.0805 -20.4716 557894.9108 -26.7968 -26.6222 PRESSURE: 578600 -93.8239 47.6124 -181.47 47.613 -112.586 -184.264 -181.47 -184.265 85.3489 GPRESSURE: 578600 -60.0623 167.095 -226.622 -34.6103 -72.0238 -213.946 -113.086 -158.092 105.869 PRESSAVG: 578600 -40.2548 -56.921 -37.9708 -56.9209 97.221 16.2301 -37.9708 16.2301 12.7497 GPRESSAVG: 578600 -39.0779 -57.0838 -37.9208 -56.7833 97.3083 14.6302 -37.2423 17.4041 12.2263 TIMING: 578600 CPU: 1737.24, 0.0030446/step Wall: 1737.24, 0.0030446/step, 3.73927 hours remaining, 206.570312 MB of memory in use. ENERGY: 578600 724.8781 2093.6050 1921.0508 114.5009 -206301.0172 17774.0573 0.0000 0.0000 34329.2517 -149343.6734 299.8059 -183672.9251 -149244.4841 298.4971 -40.3538 -8.7391 558417.3957 23.2386 23.4856 PRESSURE: 578800 -182.023 -68.9148 -29.9693 -68.916 89.3346 60.5578 -29.9705 60.5591 -177.057 GPRESSURE: 578800 -186.271 -144.128 -76.7802 11.2564 110.509 139.14 -52.105 23.78 -98.7488 PRESSAVG: 578800 -38.3957 15.0057 -13.5855 15.0059 67.0949 -36.0724 -13.5855 -36.0723 4.83737 GPRESSAVG: 578800 -39.6265 13.7156 -11.5319 13.96 67.4476 -36.2922 -15.5977 -36.9026 5.31037 TIMING: 578800 CPU: 1737.84, 0.00299665/step Wall: 1737.84, 0.00299665/step, 3.68021 hours remaining, 206.570312 MB of memory in use. ENERGY: 578800 719.4304 2080.3759 1940.0805 117.8988 -205940.7106 17642.1793 0.0000 0.0000 34105.7607 -149334.9850 297.8541 -183440.7457 -149238.9960 299.0346 -89.9150 -58.1703 557383.1703 11.1789 11.0438 PRESSURE: 579000 67.2557 129.038 -55.7387 129.038 296.624 -50.1682 -55.7388 -50.1685 -106.338 GPRESSURE: 579000 121.62 37.1488 -140.131 164.281 319.266 19.5011 19.6146 -103.769 -73.2266 PRESSAVG: 579000 -116.394 8.52036 -21.3756 8.52037 57.1906 -17.6986 -21.3758 -17.6986 15.2293 GPRESSAVG: 579000 -117.005 10.0161 -21.3218 9.04373 56.938 -17.0018 -22.4823 -17.5679 15.8005 TIMING: 579000 CPU: 1738.45, 0.00300972/step Wall: 1738.45, 0.00300972/step, 3.6961 hours remaining, 206.570312 MB of memory in use. ENERGY: 579000 726.2371 2041.8338 1949.1713 108.6454 -206264.2188 18033.8926 0.0000 0.0000 33979.6485 -149424.7900 296.7527 -183404.4385 -149324.5421 298.8144 85.8473 122.5531 557947.3838 -14.6581 -14.7554 PRESSURE: 579200 -36.5715 66.4641 107.572 66.4656 -11.4621 4.89282 107.571 4.89368 131.984 GPRESSURE: 579200 -51.5303 120.458 114.432 83.7641 60.8777 16.4233 114.297 71.5002 170.747 PRESSAVG: 579200 -57.4847 -32.3729 18.0724 -32.3728 64.5933 -0.268316 18.0724 -0.268422 33.1315 GPRESSAVG: 579200 -56.8401 -30.935 16.2665 -31.8711 64.1069 -2.74051 19.0752 1.49901 32.8919 TIMING: 579200 CPU: 1739.05, 0.00300054/step Wall: 1739.05, 0.00300054/step, 3.68466 hours remaining, 206.570312 MB of memory in use. ENERGY: 579200 756.8382 2090.5793 1939.8152 124.7155 -206479.1484 17890.2813 0.0000 0.0000 34351.2576 -149325.6615 299.9981 -183676.9190 -149237.4596 298.9884 27.9834 60.0314 558122.8103 13.4134 13.3863 PRESSURE: 579400 -100.413 31.926 -47.6765 31.9255 -123.884 -87.9772 -47.6758 -87.9768 173.709 GPRESSURE: 579400 -51.0344 16.5517 -59.3105 -13.0512 -114.08 -86.6346 -7.52127 -151.403 213.307 PRESSAVG: 579400 14.6839 -7.73927 0.780427 -7.73922 75.6822 -46.002 0.780463 -46.0019 -57.3985 GPRESSAVG: 579400 14.9949 -8.10063 3.66099 -7.83002 75.094 -43.6352 0.352316 -49.884 -57.239 TIMING: 579400 CPU: 1739.65, 0.00300423/step Wall: 1739.65, 0.00300423/step, 3.68903 hours remaining, 206.570312 MB of memory in use. ENERGY: 579400 771.1650 2045.4860 1992.9136 117.6486 -206295.9395 17900.9131 0.0000 0.0000 34325.8982 -149141.9151 299.7766 -183467.8133 -149051.5905 299.8936 -16.8627 16.0644 557532.3304 10.9892 10.9500 PRESSURE: 579600 -448.39 -31.8126 39.1141 -31.8128 35.7912 -80.7845 39.1156 -80.7854 29.6594 GPRESSURE: 579600 -451.258 3.43655 53.6383 -60.9502 62.0191 -124.836 47.3196 -67.5753 93.0275 PRESSAVG: 579600 -28.7935 -43.8184 -5.96647 -43.8184 2.28678 -49.8259 -5.96647 -49.8259 38.111 GPRESSAVG: 579600 -28.3679 -43.0064 -7.89549 -46.1302 3.46805 -48.6806 -4.92004 -48.6626 37.2676 TIMING: 579600 CPU: 1740.25, 0.00299809/step Wall: 1740.25, 0.00299809/step, 3.68132 hours remaining, 206.570312 MB of memory in use. ENERGY: 579600 756.1016 2030.5757 1952.7788 120.8915 -206100.3190 17647.3102 0.0000 0.0000 34405.4169 -149187.2443 300.4711 -183592.6612 -149085.4600 299.1934 -127.6465 -98.7372 557702.7015 3.8681 4.1226 PRESSURE: 579800 -333.535 -72.0707 23.3505 -72.0709 -54.1831 -187.448 23.3497 -187.447 -69.2654 GPRESSURE: 579800 -305.251 -117.307 -33.5202 -59.2606 -45.2656 -166.955 -16.247 -161.121 -7.12816 PRESSAVG: 579800 -54.5206 -18.0435 -29.0118 -18.0435 36.4546 -57.8879 -29.0118 -57.888 23.4941 GPRESSAVG: 579800 -54.803 -19.4825 -27.8557 -16.2343 35.2729 -57.5095 -29.7038 -56.8063 25.1265 TIMING: 579800 CPU: 1740.85, 0.0030159/step Wall: 1740.85, 0.0030159/step, 3.70303 hours remaining, 206.570312 MB of memory in use. ENERGY: 579800 742.4146 2084.4820 1947.6983 108.1766 -205829.8383 17586.1732 0.0000 0.0000 34283.2534 -149077.6402 299.4042 -183360.8935 -148987.9493 299.6221 -152.3277 -119.2148 558426.3964 1.8094 1.8655 PRESSURE: 580000 -301.936 -35.6079 75.8841 -35.6071 145.352 -107.883 75.8845 -107.884 180.506 GPRESSURE: 580000 -287.384 -75.1921 126.715 -38.2493 168.673 -70.4661 -29.18 -100.967 239.991 PRESSAVG: 580000 -66.4371 -0.78821 -26.9676 -0.788197 29.7913 -72.2099 -26.9676 -72.2099 -12.7091 GPRESSAVG: 580000 -66.6463 -2.70344 -25.8764 -0.766174 30.7307 -72.7785 -27.5091 -74.4251 -13.426 TIMING: 580000 CPU: 1741.45, 0.00300412/step Wall: 1741.45, 0.00300412/step, 3.68839 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: 580000 776.0697 2141.5717 1958.8196 107.5503 -206233.7340 17793.3651 0.0000 0.0000 34236.8800 -149219.4777 298.9992 -183456.3577 -149131.6111 299.1327 7.9742 40.4265 556632.1623 -16.4516 -16.4472 PRESSURE: 580200 -81.3109 -37.3612 149.014 -37.3599 -125.509 16.5506 149.014 16.5501 220.52 GPRESSURE: 580200 -47.7057 -82.4589 164.164 -52.6618 -76.0981 55.1546 171.639 39.0765 224.942 PRESSAVG: 580200 1.65127 -55.4056 10.8106 -55.4056 15.2579 -12.8747 10.8106 -12.8746 -24.4021 GPRESSAVG: 580200 1.16594 -55.7318 7.0816 -54.3173 15.5483 -12.8267 10.737 -10.398 -24.2372 TIMING: 580200 CPU: 1742.05, 0.00301155/step Wall: 1742.05, 0.00301155/step, 3.69734 hours remaining, 206.570312 MB of memory in use. ENERGY: 580200 742.6143 2097.7270 1925.9690 112.8957 -205903.9885 17604.7829 0.0000 0.0000 34283.2036 -149136.7959 299.4037 -183419.9995 -149039.3973 300.0528 4.5667 33.7129 557533.4132 -2.4977 -2.5076 LDB: ============= START OF LOAD BALANCING ============== 1745.57 LDB: ============== END OF LOAD BALANCING =============== 1745.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1745.57 LDB: ============= START OF LOAD BALANCING ============== 1745.88 LDB: Largest compute 4800 load 0.029141 is 24.7% of average load 0.117833 LDB: Average compute 0.001736 is 1.5% of average load 0.117833 LDB: TIME 1745.88 LOAD: AVG 0.117833 MAX 0.211278 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.82 MB LDB: TIME 1745.88 LOAD: AVG 0.117833 MAX 0.211278 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.887 MB LDB: TIME 1745.88 LOAD: AVG 0.117833 MAX 0.211278 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.887 MB LDB: ============== END OF LOAD BALANCING =============== 1745.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1745.89 PRESSURE: 580400 -75.4963 70.5329 -36.7803 70.5317 20.3106 -20.6329 -36.7808 -20.6326 258.824 GPRESSURE: 580400 -19.9201 33.7291 -74.2161 102.436 87.2398 -7.40581 50.5259 -32.8106 238.509 PRESSAVG: 580400 3.00408 -25.3567 -0.422033 -25.3567 -12.0917 -32.9064 -0.422088 -32.9064 -14.5102 GPRESSAVG: 580400 3.85392 -24.6646 2.14884 -24.0182 -13.1707 -34.5038 0.745364 -34.281 -14.3954 TIMING: 580400 CPU: 1742.67, 0.00308351/step Wall: 1742.67, 0.0030835/step, 3.78552 hours remaining, 206.312500 MB of memory in use. ENERGY: 580400 746.1436 2076.0191 1935.4648 102.0960 -206367.7719 17862.6208 0.0000 0.0000 34423.8656 -149221.5620 300.6322 -183645.4276 -149126.8926 299.2910 67.8793 101.9429 557222.3073 -7.8659 -7.9040 PRESSURE: 580600 58.7412 -62.0621 -111.559 -62.061 65.5752 -215.612 -111.558 -215.611 371.305 GPRESSURE: 580600 149.284 -49.5631 -35.4484 -37.1245 105.804 -267.538 -83.7941 -182.677 325.872 PRESSAVG: 580600 50.9731 25.6638 21.5887 25.6637 -37.9876 -84.7435 21.5887 -84.7435 11.278 GPRESSAVG: 580600 50.0202 26.475 19.9856 25.3478 -37.1396 -84.29 21.1262 -83.2011 10.8708 TIMING: 580600 CPU: 1743.27, 0.00301101/step Wall: 1743.27, 0.00301102/step, 3.69636 hours remaining, 206.312500 MB of memory in use. ENERGY: 580600 740.5329 2105.1606 1950.2859 109.5578 -206345.4759 18218.1145 0.0000 0.0000 34206.7866 -149015.0376 298.7364 -183221.8242 -148917.3272 299.5072 165.2070 193.6534 558139.1392 8.0878 7.9171 PRESSURE: 580800 104.095 -41.7807 -110.616 -41.7806 -72.3019 -70.392 -110.615 -70.3901 96.34 GPRESSURE: 580800 143.541 -127.544 -168.161 63.9978 -44.714 42.5699 -65.3026 -127.589 128.831 PRESSAVG: 580800 27.9946 -1.19948 -65.2996 -1.1995 4.35833 -18.8514 -65.2995 -18.8515 29.3457 GPRESSAVG: 580800 28.0777 -1.90525 -64.3462 -2.42449 4.49735 -17.8083 -63.7451 -19.8773 29.8168 TIMING: 580800 CPU: 1743.88, 0.00303654/step Wall: 1743.88, 0.00303654/step, 3.72752 hours remaining, 206.312500 MB of memory in use. ENERGY: 580800 796.1153 2122.1195 1924.8864 112.2329 -206533.9905 17951.3547 0.0000 0.0000 34488.3093 -149138.9724 301.1950 -183627.2817 -149045.3285 299.7014 42.7109 75.8862 557676.3237 20.5662 20.7973 PRESSURE: 581000 -114.516 1.11592 54.8734 1.11738 -56.8724 -25.1907 54.8725 -25.1895 -199.164 GPRESSURE: 581000 -121.942 -20.961 122.029 31.8749 -36.281 -142.217 19.0027 -18.6446 -117.353 PRESSAVG: 581000 40.1368 -9.31516 -56.9994 -9.31512 -17.8906 -26.0255 -56.9994 -26.0255 -45.2257 GPRESSAVG: 581000 40.4113 -8.29874 -56.3814 -11.0984 -17.7708 -26.3089 -57.7578 -26.3085 -45.0121 TIMING: 581000 CPU: 1744.48, 0.00301468/step Wall: 1744.48, 0.00301468/step, 3.70052 hours remaining, 206.312500 MB of memory in use. ENERGY: 581000 753.4632 2093.0775 1953.5645 114.6532 -205671.6301 17624.6354 0.0000 0.0000 34066.5483 -149065.6880 297.5116 -183132.2363 -148969.4087 299.4777 -123.5175 -91.8586 559218.8315 -7.6599 -7.4572 PRESSURE: 581200 -35.6291 -36.8642 -169.894 -36.8636 -252.344 -22.5563 -169.895 -22.5577 -110.284 GPRESSURE: 581200 -16.5728 -6.10107 -155.852 -82.6263 -211.573 39.9054 -220.026 11.3809 -68.7363 PRESSAVG: 581200 46.788 -12.0497 -21.3552 -12.0496 -11.7049 -28.2399 -21.3552 -28.2399 -24.7955 GPRESSAVG: 581200 47.2551 -12.6377 -21.93 -11.7632 -12.2614 -29.0437 -21.3145 -26.6741 -24.6356 TIMING: 581200 CPU: 1745.08, 0.00299443/step Wall: 1745.08, 0.00299443/step, 3.67549 hours remaining, 206.312500 MB of memory in use. ENERGY: 581200 727.3755 2044.0495 1921.6277 109.5381 -205691.9779 17537.6966 0.0000 0.0000 34297.0720 -149054.6184 299.5249 -183351.6904 -148948.7167 299.3301 -132.7524 -98.9607 558578.8344 3.4292 3.4527 PRESSURE: 581400 92.5728 8.84397 25.3331 8.84441 -73.513 -150.116 25.3331 -150.117 -132.397 GPRESSURE: 581400 106.795 -30.1571 43.698 43.1205 -70.9925 -160.533 43.9934 -49.4566 -45.5256 PRESSAVG: 581400 18.4418 -38.3939 -18.148 -38.394 -24.8699 -44.2436 -18.148 -44.2437 -57.392 GPRESSAVG: 581400 18.5852 -38.1382 -17.7761 -37.1517 -24.3835 -44.1372 -18.1359 -45.1431 -58.3134 TIMING: 581400 CPU: 1745.68, 0.0029938/step Wall: 1745.68, 0.0029938/step, 3.67456 hours remaining, 206.312500 MB of memory in use. ENERGY: 581400 769.4556 2133.9578 1948.7184 107.0092 -206356.6221 17827.2208 0.0000 0.0000 34415.1025 -149155.1578 300.5556 -183570.2603 -149055.3365 299.7858 -37.7790 -3.2409 556210.9707 -21.2734 -21.3705 PRESSURE: 581600 -186.992 -13.5193 306.19 -13.5211 120.342 102.354 306.191 102.355 -183.717 GPRESSURE: 581600 -124.754 -8.61835 295.22 -9.05754 159.381 10.655 273.44 159.965 -173.599 PRESSAVG: 581600 29.7649 -11.4063 72.8524 -11.4063 37.7934 -5.30916 72.8524 -5.30914 -63.8332 GPRESSAVG: 581600 30.8353 -11.0599 70.6662 -13.0513 38.1626 -3.54408 73.5502 -4.95644 -64.8598 TIMING: 581600 CPU: 1746.28, 0.00301281/step Wall: 1746.28, 0.00301281/step, 3.69772 hours remaining, 206.312500 MB of memory in use. ENERGY: 581600 729.0544 2109.3957 1934.0360 102.6291 -206116.5257 17708.5436 0.0000 0.0000 34390.3357 -149142.5313 300.3394 -183532.8670 -149050.1472 299.4682 -83.4556 -46.3240 557855.4899 1.2417 1.3793 PRESSURE: 581800 271.11 48.1213 36.8664 48.1214 103.73 -95.9542 36.8652 -95.9529 170.799 GPRESSURE: 581800 311.624 30.4578 -118.248 19.7033 160.55 -29.7591 90.8189 -147.392 171.37 PRESSAVG: 581800 48.3322 -8.73567 18.3126 -8.73579 25.0456 11.6539 18.3127 11.6538 -66.0369 GPRESSAVG: 581800 47.6842 -9.30377 20.834 -7.15375 24.1135 11.5498 18.3374 11.2615 -63.9784 TIMING: 581800 CPU: 1746.88, 0.00299153/step Wall: 1746.88, 0.00299153/step, 3.67144 hours remaining, 206.312500 MB of memory in use. ENERGY: 581800 758.1789 2018.5278 1944.1694 116.1128 -206333.8814 18132.5045 0.0000 0.0000 34100.0219 -149264.3662 297.8040 -183364.3881 -149164.6566 299.2280 181.8796 214.5146 557744.1433 2.4469 2.6065 PRESSURE: 582000 49.6662 62.4377 53.0684 62.4382 364.85 -32.6233 53.0678 -32.6227 90.4077 GPRESSURE: 582000 72.6169 -21.6546 54.7652 162.415 375.81 -0.354173 0.0103263 -37.7022 166.178 PRESSAVG: 582000 -16.5068 -16.0772 5.57932 -16.0772 56.8325 8.56083 5.57929 8.56084 -17.09 GPRESSAVG: 582000 -16.2407 -16.4111 4.78103 -16.7783 57.0388 6.68068 5.88695 9.67278 -17.6602 TIMING: 582000 CPU: 1747.48, 0.00299121/step Wall: 1747.48, 0.00299121/step, 3.67088 hours remaining, 206.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 582000 726.7128 2089.0002 1927.4991 107.7378 -206460.7661 18193.6794 0.0000 0.0000 33996.9437 -149419.1930 296.9038 -183416.1367 -149317.1858 298.3329 168.3081 204.8684 557758.4888 7.7453 7.7126 PRESSURE: 582200 111.271 -40.4489 99.7676 -40.45 111.152 -101.821 99.7676 -101.821 34.5273 GPRESSURE: 582200 91.3438 -60.4211 85.356 -46.4483 149.342 -87.3225 38.844 -61.3276 105.726 PRESSAVG: 582200 -26.9627 57.3158 -4.46966 57.3158 48.5431 21.6311 -4.46975 21.6311 -1.02079 GPRESSAVG: 582200 -27.0412 55.4663 -5.04797 59.1872 48.1045 21.6747 -4.48394 20.1826 -0.893704 TIMING: 582200 CPU: 1748.08, 0.00301983/step Wall: 1748.08, 0.00301983/step, 3.70583 hours remaining, 206.312500 MB of memory in use. ENERGY: 582200 730.2986 2060.1494 1912.0415 107.7927 -206450.3241 17982.7724 0.0000 0.0000 34107.4359 -149549.8336 297.8687 -183657.2695 -149456.7874 298.4839 85.6500 115.4707 557830.0307 6.8532 6.7232 PRESSURE: 582400 -172.555 0.504281 -144.483 0.504716 -202.44 59.9052 -144.483 59.9054 28.6629 GPRESSURE: 582400 -138.898 88.3504 -184.017 -12.1426 -186.714 120.743 -88.37 2.56833 72.9404 PRESSAVG: 582400 -46.0096 37.6642 -23.2494 37.6641 -11.6556 11.5693 -23.2494 11.5693 66.2656 GPRESSAVG: 582400 -46.8533 39.0638 -22.5449 35.2642 -11.0233 10.9465 -23.6141 12.5224 65.7716 TIMING: 582400 CPU: 1748.69, 0.00302313/step Wall: 1748.69, 0.00302313/step, 3.70972 hours remaining, 206.312500 MB of memory in use. ENERGY: 582400 766.2410 2061.5960 1931.6276 104.9891 -206145.9064 17738.4259 0.0000 0.0000 34149.6898 -149393.3369 298.2377 -183543.0267 -149296.6213 298.6813 -115.4442 -84.2241 559700.5996 2.8668 2.6316 PRESSURE: 582600 -42.4188 -21.2327 -117.716 -21.2325 67.1898 29.3091 -117.718 29.31 64.2693 GPRESSURE: 582600 52.0289 -7.80174 -125.956 -29.934 77.6329 47.2807 -146.31 26.3642 58.4867 PRESSAVG: 582600 27.7949 -9.46171 -63.7938 -9.46176 -52.7416 -13.9586 -63.7938 -13.9586 16.4657 GPRESSAVG: 582600 28.1229 -9.80428 -63.6974 -7.81614 -53.3657 -14.1169 -64.5543 -14.4819 16.9 TIMING: 582600 CPU: 1749.29, 0.00302616/step Wall: 1749.29, 0.00302616/step, 3.71326 hours remaining, 206.312500 MB of memory in use. ENERGY: 582600 796.3676 2074.1389 1956.0610 122.4408 -206275.0336 17923.4663 0.0000 0.0000 33987.6194 -149414.9395 296.8223 -183402.5589 -149320.7627 298.0487 29.6801 62.7162 558362.0362 -2.8270 -2.7809 PRESSURE: 582800 -146.629 -88.0352 73.1068 -88.0336 36.4976 1.084 73.1079 1.08406 -325.59 GPRESSURE: 582800 -112.065 -129.298 55.8074 -117.885 87.506 -9.37836 155.556 -2.78316 -305.428 PRESSAVG: 582800 13.3748 4.61666 37.0478 4.61661 38.6096 32.6652 37.0478 32.6652 -18.6212 GPRESSAVG: 582800 12.9302 4.92724 38.3919 3.42071 39.1303 33.6577 36.2546 31.4836 -18.9373 TIMING: 582800 CPU: 1749.9, 0.00304019/step Wall: 1749.9, 0.00304019/step, 3.73031 hours remaining, 206.570312 MB of memory in use. ENERGY: 582800 797.8726 2115.8273 1939.9055 106.3373 -206684.7438 17927.7428 0.0000 0.0000 34291.3395 -149505.7187 299.4748 -183797.0582 -149415.9056 298.5160 -145.2406 -109.9956 557800.9335 11.1210 11.0410 PRESSURE: 583000 55.4255 12.658 -142.399 12.6587 190.677 -34.0141 -142.399 -34.0145 -168.549 GPRESSURE: 583000 117.518 26.2706 -92.9887 54.8539 194.565 -87.0113 -146.704 17.4589 -127.76 PRESSAVG: 583000 -6.32074 -19.1997 -28.9841 -19.1998 79.7929 -6.22182 -28.9842 -6.22185 -76.3453 GPRESSAVG: 583000 -5.8087 -19.7884 -30.1973 -18.5565 79.4256 -5.92204 -26.8316 -5.21832 -76.2291 TIMING: 583000 CPU: 1750.51, 0.00304919/step Wall: 1750.51, 0.00304919/step, 3.74119 hours remaining, 206.570312 MB of memory in use. ENERGY: 583000 772.1439 2105.7325 1940.1346 127.1064 -206334.2085 17833.8284 0.0000 0.0000 34161.7412 -149393.5215 298.3430 -183555.2627 -149296.7483 298.8458 25.8514 61.4410 556889.2128 -0.9577 -0.8707 PRESSURE: 583200 -332.26 155.545 -4.55238 155.546 -94.64 -65.8285 -4.55134 -65.8268 107.515 GPRESSURE: 583200 -313.06 130.56 10.4515 243.955 0.95636 -152.798 -51.2865 -24.3815 92.5089 PRESSAVG: 583200 -29.047 -1.33854 -20.0957 -1.33859 33.8078 -17.0339 -20.0957 -17.0339 18.795 GPRESSAVG: 583200 -30.4164 0.400057 -20.527 -0.650305 33.9969 -17.1123 -20.7497 -18.082 19.4388 TIMING: 583200 CPU: 1751.12, 0.00302837/step Wall: 1751.12, 0.00302837/step, 3.71548 hours remaining, 206.570312 MB of memory in use. ENERGY: 583200 739.1168 2108.6439 1938.1987 117.3271 -205953.7860 17474.8207 0.0000 0.0000 34322.3080 -149253.3707 299.7453 -183575.6787 -149161.2766 299.1692 -106.4615 -73.1983 557320.7114 7.8520 7.6731 PRESSURE: 583400 173.694 29.9509 -47.9731 29.9499 -194.886 19.7523 -47.9742 19.7521 -65.7285 GPRESSURE: 583400 183.34 40.9614 -37.6463 -9.26982 -202.418 -20.3916 -38.2426 -3.84169 16.2906 PRESSAVG: 583400 12.0442 1.87615 -9.115 1.87612 13.0509 5.62069 -9.11492 5.62074 -23.3889 GPRESSAVG: 583400 13.1357 0.173364 -7.84129 1.66488 13.4561 6.03371 -9.49356 5.1389 -24.2621 TIMING: 583400 CPU: 1751.72, 0.00301292/step Wall: 1751.72, 0.00301292/step, 3.69635 hours remaining, 206.570312 MB of memory in use. ENERGY: 583400 741.4425 2048.4915 1931.8756 115.9707 -206279.3523 17811.2355 0.0000 0.0000 34223.6305 -149406.7061 298.8835 -183630.3366 -149310.0770 299.0791 -28.9738 -0.9293 556949.2224 0.5687 0.7766 PRESSURE: 583600 -25.0938 -7.73041 77.1884 -7.73249 -194.102 51.1934 77.1887 51.1929 -70.1958 GPRESSURE: 583600 -42.8992 -37.3614 107.935 -53.3444 -137.766 98.4139 1.98459 -54.1066 -4.78432 PRESSAVG: 583600 -8.67073 -32.079 2.67263 -32.0789 -22.8045 -24.2229 2.67261 -24.2228 10.6923 GPRESSAVG: 583600 -10.4049 -31.4313 2.19555 -32.337 -23.0433 -26.0844 2.51482 -22.8249 12.4008 TIMING: 583600 CPU: 1752.33, 0.00305394/step Wall: 1752.33, 0.00305394/step, 3.7465 hours remaining, 206.570312 MB of memory in use. ENERGY: 583600 736.1982 2057.3341 1964.9954 112.2823 -206176.7138 17766.8896 0.0000 0.0000 34181.0239 -149357.9903 298.5114 -183539.0142 -149266.0682 298.7461 -96.4637 -61.8165 556689.3783 -6.9276 -7.0158 PRESSURE: 583800 -58.2267 -169.878 27.7433 -169.876 -54.4927 2.46412 27.7438 2.4639 -64.4221 GPRESSURE: 583800 -38.9148 -187.39 -20.0744 -136.975 -5.37927 40.2137 30.4178 -18.3967 -31.7373 PRESSAVG: 583800 -15.2813 -36.3858 -55.6058 -36.3859 -60.3849 29.2927 -55.6059 29.2926 38.19 GPRESSAVG: 583800 -15.4314 -36.0333 -54.5247 -36.1865 -60.2311 30.709 -57.5225 28.8456 37.8566 TIMING: 583800 CPU: 1752.94, 0.00306708/step Wall: 1752.94, 0.00306708/step, 3.76246 hours remaining, 206.570312 MB of memory in use. ENERGY: 583800 759.2631 2063.3559 1953.7753 119.5355 -205929.9331 17517.8092 0.0000 0.0000 34073.4193 -149442.7749 297.5716 -183516.1941 -149343.3412 297.6306 -59.0472 -25.3438 556147.1899 -12.4921 -12.6020 PRESSURE: 584000 103.796 -40.7692 0.756545 -40.7689 -171.389 -24.245 0.756476 -24.2467 -131.031 GPRESSURE: 584000 88.8873 -95.9518 92.9669 17.1399 -112.541 -60.7344 3.72055 -86.2971 -67.208 PRESSAVG: 584000 63.6883 15.5236 -28.8976 15.5236 12.9565 28.2686 -28.8977 28.2686 -69.0934 GPRESSAVG: 584000 64.0676 16.3081 -27.674 15.176 12.998 29.8785 -28.5434 29.3667 -69.3803 TIMING: 584000 CPU: 1753.56, 0.00308527/step Wall: 1753.56, 0.00308527/step, 3.78459 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: 584000 756.5053 2087.5759 1906.0043 112.4084 -205796.4726 17431.2197 0.0000 0.0000 34181.2529 -149321.5061 298.5134 -183502.7590 -149231.9598 298.0893 -66.2080 -30.2873 556057.8346 2.5171 2.5618 PRESSURE: 584200 -199.658 -125.166 -187.632 -125.165 -261.101 217.968 -187.632 217.967 27.6726 GPRESSURE: 584200 -122.294 -118.033 -133.811 -52.1494 -244.153 214.749 -204.036 227.462 34.6649 PRESSAVG: 584200 26.1736 -5.4693 -63.1882 -5.46927 -18.598 -22.4177 -63.1882 -22.4177 -18.8206 GPRESSAVG: 584200 26.1354 -6.72517 -67.4212 -3.08306 -18.7494 -25.0477 -59.8438 -22.2288 -18.8506 TIMING: 584200 CPU: 1754.16, 0.00300298/step Wall: 1754.16, 0.00300298/step, 3.68348 hours remaining, 206.570312 MB of memory in use. ENERGY: 584200 748.0560 2074.9207 1948.0927 102.3096 -206296.1689 17810.1132 0.0000 0.0000 34249.1074 -149363.5694 299.1060 -183612.6769 -149272.8676 298.3721 -144.3624 -110.5940 557974.7810 -3.7483 -3.8215 LDB: ============= START OF LOAD BALANCING ============== 1757.68 LDB: ============== END OF LOAD BALANCING =============== 1757.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1757.68 LDB: ============= START OF LOAD BALANCING ============== 1757.98 LDB: Largest compute 4800 load 0.030510 is 25.9% of average load 0.117868 LDB: Average compute 0.001743 is 1.5% of average load 0.117868 LDB: TIME 1757.98 LOAD: AVG 0.117868 MAX 0.208552 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.113 MB LDB: TIME 1757.98 LOAD: AVG 0.117868 MAX 0.208552 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.18 MB LDB: TIME 1757.98 LOAD: AVG 0.117868 MAX 0.208552 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.18 MB LDB: ============== END OF LOAD BALANCING =============== 1757.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1757.99 PRESSURE: 584400 160.178 -62.5474 -101.672 -62.5474 64.0729 -75.0798 -101.673 -75.0787 -115.549 GPRESSURE: 584400 160.404 -72.8712 -121.366 -143.032 104.485 -127.305 -125.299 -61.058 -63.5804 PRESSAVG: 584400 -7.24966 31.0885 47.6563 31.0885 35.5925 18.4423 47.6563 18.4423 -14.7278 GPRESSAVG: 584400 -5.85633 31.4212 48.9959 29.2008 36.0332 19.1587 45.9943 18.3151 -16.0691 TIMING: 584400 CPU: 1754.77, 0.00305619/step Wall: 1754.77, 0.00305619/step, 3.74859 hours remaining, 206.820312 MB of memory in use. ENERGY: 584400 756.5967 2064.6313 1924.5994 103.6833 -206481.1431 18009.4174 0.0000 0.0000 34149.9829 -149472.2321 298.2403 -183622.2150 -149370.1433 298.9276 36.2337 67.1032 557401.8949 4.5383 4.7026 PRESSURE: 584600 143.911 -54.0741 -46.2612 -54.073 -144.718 -136.992 -46.2622 -136.99 328.089 GPRESSURE: 584600 218.846 -41.5145 4.12425 -110.761 -105.992 -149.569 -1.75925 -85.0366 308.87 PRESSAVG: 584600 28.1654 -75.8008 29.1942 -75.8007 10.4545 16.515 29.1941 16.5149 -21.0882 GPRESSAVG: 584600 28.8273 -76.5489 29.3086 -75.0214 8.66115 17.7791 27.0572 14.7097 -20.203 TIMING: 584600 CPU: 1755.37, 0.0029914/step Wall: 1755.37, 0.0029914/step, 3.66896 hours remaining, 207.023438 MB of memory in use. ENERGY: 584600 752.8920 2107.0740 1944.7134 116.4624 -206644.5298 17920.8685 0.0000 0.0000 34286.6465 -149515.8730 299.4338 -183802.5195 -149423.4958 298.8920 109.0940 140.5748 556840.8688 5.8439 5.7618 PRESSURE: 584800 191.687 36.4522 -69.2943 36.453 -44.5132 -0.620276 -69.2933 -0.619825 70.3433 GPRESSURE: 584800 198.692 -55.9446 -56.4968 63.7829 9.18576 40.8623 -109.447 2.93287 109.887 PRESSAVG: 584800 102.179 -13.2632 41.4746 -13.2631 -89.9401 10.7251 41.4746 10.725 -48.4302 GPRESSAVG: 584800 101.285 -13.2451 41.2996 -12.3715 -89.1342 9.6931 43.1459 11.8554 -48.0325 TIMING: 584800 CPU: 1755.98, 0.00304751/step Wall: 1755.98, 0.00304751/step, 3.7376 hours remaining, 207.023438 MB of memory in use. ENERGY: 584800 712.2452 2106.7536 1955.1719 109.6577 -206307.2111 17718.2081 0.0000 0.0000 34183.3813 -149521.7934 298.5320 -183705.1747 -149420.1822 298.9279 72.5056 105.9216 557055.9575 -12.0639 -11.9606 PRESSURE: 585000 -177.474 80.4904 -5.6269 80.4899 -97.7265 34.2154 -5.62677 34.2162 210.212 GPRESSURE: 585000 -103.303 16.9646 16.54 109.32 -76.8804 47.6642 -51.1261 -7.00979 217.423 PRESSAVG: 585000 -23.0093 -1.18885 -7.76394 -1.1889 -42.0415 -21.3012 -7.76398 -21.3012 60.7726 GPRESSAVG: 585000 -24.1428 -0.906001 -7.74368 -2.03555 -41.1382 -22.2659 -7.11204 -22.0355 61.0498 TIMING: 585000 CPU: 1756.58, 0.00301692/step Wall: 1756.58, 0.00301692/step, 3.69991 hours remaining, 207.023438 MB of memory in use. ENERGY: 585000 751.4000 2119.9997 1921.5478 128.0676 -206719.3133 17939.0646 0.0000 0.0000 34176.2179 -149683.0157 298.4694 -183859.2336 -149590.7017 298.1802 -21.6627 12.4131 557376.5439 -1.4261 -1.4104 PRESSURE: 585200 146.462 -12.4162 -70.1591 -12.4183 8.20965 -104.632 -70.1578 -104.631 90.6143 GPRESSURE: 585200 219.013 -12.5688 24.3399 -6.75868 -15.3593 -233.095 -112.903 5.91019 142.886 PRESSAVG: 585200 -17.1009 59.9408 -4.91818 59.9408 35.7895 0.703907 -4.9181 0.703899 -21.0174 GPRESSAVG: 585200 -16.441 59.6789 -2.90403 58.6603 35.5551 1.64133 -5.37587 0.968916 -21.3324 TIMING: 585200 CPU: 1757.18, 0.00300049/step Wall: 1757.18, 0.00300049/step, 3.6796 hours remaining, 207.023438 MB of memory in use. ENERGY: 585200 731.5409 2119.8283 1941.2149 103.4314 -206802.1902 18013.4746 0.0000 0.0000 34240.7969 -149651.9033 299.0334 -183892.7002 -149551.3704 297.9896 81.7621 115.5132 556353.3661 -0.7763 -0.7395 PRESSURE: 585400 292.677 -69.8678 -134.555 -69.8683 225.85 -74.6582 -134.555 -74.6595 -122.329 GPRESSURE: 585400 321.168 -5.26316 -88.24 -99.0833 255.285 -73.8123 -193.321 -92.8273 -85.7437 PRESSAVG: 585400 9.26322 32.3101 7.31214 32.3101 3.35919 -13.6127 7.31207 -13.6126 4.9491 GPRESSAVG: 585400 9.84014 33.5439 5.78945 34.729 3.70005 -13.038 6.62481 -14.9813 4.29116 TIMING: 585400 CPU: 1757.77, 0.00295672/step Wall: 1757.77, 0.00295672/step, 3.62576 hours remaining, 207.023438 MB of memory in use. ENERGY: 585400 741.8421 2105.5941 1938.2304 120.7705 -206457.0543 17906.2585 0.0000 0.0000 34174.9420 -149469.4166 298.4583 -183644.3586 -149378.7988 298.4511 132.0660 163.5698 555706.7007 5.8572 5.9438 PRESSURE: 585600 -104.454 63.953 -2.00333 63.9524 -12.3184 30.0934 -2.00383 30.0938 192.935 GPRESSURE: 585600 -83.1196 45.652 -29.556 61.4471 22.0512 4.83864 19.3889 28.511 236.019 PRESSAVG: 585600 -74.7904 7.45053 -9.07941 7.45057 78.3837 -27.7879 -9.07948 -27.7881 2.86417 GPRESSAVG: 585600 -75.0182 4.38536 -8.18411 6.67405 77.4929 -25.5912 -7.90711 -27.4495 3.49442 TIMING: 585600 CPU: 1758.37, 0.00297188/step Wall: 1758.37, 0.00297188/step, 3.64418 hours remaining, 207.023438 MB of memory in use. ENERGY: 585600 752.3648 2079.9789 1941.4695 127.4233 -206787.2659 18048.7964 0.0000 0.0000 34194.9773 -149642.2557 298.6332 -183837.2330 -149545.9446 298.6258 25.3874 58.3168 556392.7279 2.1525 1.9897 PRESSURE: 585800 -197.45 50.2836 180.561 50.2825 -65.6279 -7.02799 180.561 -7.02592 180.02 GPRESSURE: 585800 -213.908 24.1426 138.107 103.935 44.6467 -18.1985 165.44 -52.0029 175.643 PRESSAVG: 585800 -148.29 65.6692 -5.07434 65.6692 151.196 37.0228 -5.07432 37.0228 60.9466 GPRESSAVG: 585800 -148.565 67.3166 -6.03077 66.6329 152.534 36.8712 -5.0933 36.765 59.9157 TIMING: 585800 CPU: 1758.97, 0.00300102/step Wall: 1758.97, 0.00300102/step, 3.67975 hours remaining, 207.023438 MB of memory in use. ENERGY: 585800 785.3463 2093.8026 1946.4257 106.3873 -206671.1065 17762.7936 0.0000 0.0000 34455.5500 -149520.8010 300.9089 -183976.3511 -149423.7631 298.5992 -27.6863 2.1273 555467.3793 21.2842 21.2951 PRESSURE: 586000 -64.9666 -38.1456 72.8383 -38.1447 140.82 -13.6206 72.8374 -13.6199 -49.3709 GPRESSURE: 586000 -30.0721 -139.123 148.832 -106.072 166.236 -20.2161 150.484 -30.4 -10.8644 PRESSAVG: 586000 -16.6573 9.40895 32.2671 9.40895 14.5531 -21.5254 32.2672 -21.5253 -9.34875 GPRESSAVG: 586000 -16.1452 7.86664 34.3256 6.75431 12.2843 -23.1499 30.7095 -18.5743 -7.73449 TIMING: 586000 CPU: 1759.57, 0.00299776/step Wall: 1759.57, 0.00299776/step, 3.67558 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: 586000 787.0549 2113.7548 1949.4766 104.0451 -206541.2680 17806.0982 0.0000 0.0000 34274.2303 -149506.6080 299.3254 -183780.8384 -149412.4534 298.6529 8.8274 41.7666 555456.4434 -3.8176 -3.8651 PRESSURE: 586200 76.1509 -55.2153 -28.2188 -55.2167 27.2179 -135.554 -28.2201 -135.553 3.38317 GPRESSURE: 586200 123.402 -54.1851 -44.9589 -150.249 51.9949 -85.9806 -101.001 -140.172 22.4833 PRESSAVG: 586200 5.10374 -10.1853 20.1369 -10.1852 54.7817 9.28338 20.1369 9.28339 -62.7336 GPRESSAVG: 586200 5.18162 -8.43128 18.3875 -10.5911 55.5862 9.18822 21.4963 6.96712 -63.5346 TIMING: 586200 CPU: 1760.17, 0.00298665/step Wall: 1760.17, 0.00298665/step, 3.66179 hours remaining, 207.023438 MB of memory in use. ENERGY: 586200 726.7978 2087.3534 1943.6514 114.6204 -206546.2838 17775.1311 0.0000 0.0000 34342.0398 -149556.6899 299.9176 -183898.7297 -149461.9387 299.1784 35.5840 65.9601 556067.4657 -0.9494 -0.9223 PRESSURE: 586400 -60.6741 -29.2737 50.831 -29.276 56.8577 105.243 50.8313 105.24 -270.166 GPRESSURE: 586400 -31.1347 -33.0959 70.3125 -6.05491 61.4058 94.8122 17.0744 172.972 -203.978 PRESSAVG: 586400 51.9714 -17.525 3.82759 -17.5252 43.1652 52.9581 3.82755 52.9581 -29.8226 GPRESSAVG: 586400 52.3783 -18.1303 4.54195 -15.854 42.9702 53.8997 2.74522 52.6156 -30.1123 TIMING: 586400 CPU: 1760.76, 0.00298703/step Wall: 1760.76, 0.00298703/step, 3.6621 hours remaining, 207.023438 MB of memory in use. ENERGY: 586400 777.1222 2109.2492 1945.0875 98.5618 -206439.3656 17762.4513 0.0000 0.0000 34129.0164 -149617.8772 298.0572 -183746.8936 -149523.1667 298.6774 -91.3273 -57.9024 556098.2319 21.7713 21.7454 PRESSURE: 586600 -215.156 113.71 174.816 113.711 19.9861 -10.9939 174.816 -10.9936 -61.4661 GPRESSURE: 586600 -146.87 78.3398 190.616 116.421 72.3083 -45.7591 137.028 -69.159 -74.7389 PRESSAVG: 586600 26.0812 -40.3613 -7.64679 -40.3614 18.3716 23.7602 -7.64676 23.7601 -69.0486 GPRESSAVG: 586600 25.5834 -43.0181 -7.94901 -39.9516 18.5312 23.9239 -7.16381 23.7408 -69.1582 TIMING: 586600 CPU: 1761.36, 0.00297894/step Wall: 1761.36, 0.00297894/step, 3.65201 hours remaining, 207.023438 MB of memory in use. ENERGY: 586600 732.6267 2044.6467 1968.2828 125.2199 -206511.8234 17699.7416 0.0000 0.0000 34328.0052 -149613.3005 299.7950 -183941.3057 -149519.7398 297.8917 -85.5452 -49.7669 554860.9662 -8.1986 -8.3478 PRESSURE: 586800 -178.355 -257.338 165.273 -257.337 -281.779 36.373 165.272 36.3748 -91.5347 GPRESSURE: 586800 -167.699 -211.169 114.411 -182.446 -238.584 143.886 193.926 34.3122 -51.0837 PRESSAVG: 586800 15.1034 -55.3066 32.0043 -55.3066 27.2172 -24.9309 32.0043 -24.931 -24.9846 GPRESSAVG: 586800 14.3489 -52.2163 31.3476 -54.6361 27.0514 -26.1365 33.9586 -23.1985 -24.5972 TIMING: 586800 CPU: 1761.96, 0.00298351/step Wall: 1761.96, 0.00298351/step, 3.65746 hours remaining, 207.023438 MB of memory in use. ENERGY: 586800 733.8142 2126.7217 1945.2961 115.9676 -206190.7716 17463.7712 0.0000 0.0000 34144.6613 -149660.5395 298.1938 -183805.2008 -149570.7489 298.2408 -183.8896 -152.4555 554801.1864 5.7787 5.6010 PRESSURE: 587000 -173.106 137.924 -75.5911 137.926 -130.77 12.9259 -75.5938 12.9253 -214.409 GPRESSURE: 587000 -115.632 143.812 -28.3362 91.2409 -141.687 -40.0019 -82.6832 -65.0268 -171.99 PRESSAVG: 587000 34.6183 -36.5197 11.0145 -36.5197 9.8666 -13.671 11.0145 -13.6709 -19.4806 GPRESSAVG: 587000 34.8684 -36.8075 12.1603 -38.5543 11.1035 -14.1301 9.08057 -13.7204 -20.6603 TIMING: 587000 CPU: 1762.56, 0.00300969/step Wall: 1762.56, 0.00300969/step, 3.68937 hours remaining, 207.023438 MB of memory in use. ENERGY: 587000 777.4431 2101.4666 1966.7255 118.7572 -206574.7183 17622.8442 0.0000 0.0000 34291.3988 -149696.0829 299.4753 -183987.4816 -149597.5985 298.1593 -172.7616 -143.1028 557250.7556 8.3348 8.4372 PRESSURE: 587200 131.07 117.644 6.41098 117.644 227.051 54.7403 6.41292 54.7417 120.398 GPRESSURE: 587200 97.5258 118.755 19.2604 108.362 264.903 96.2178 -88.561 25.9545 199.975 PRESSAVG: 587200 -6.94601 -15.4716 -22.0009 -15.4715 31.0898 8.07913 -22.0008 8.07901 -26.3796 GPRESSAVG: 587200 -7.86202 -14.8779 -21.35 -15.8403 29.831 8.50168 -22.3081 7.41102 -24.5777 TIMING: 587200 CPU: 1763.16, 0.00300497/step Wall: 1763.16, 0.00300497/step, 3.68343 hours remaining, 207.023438 MB of memory in use. ENERGY: 587200 731.4206 2112.0905 1942.5926 112.1472 -206867.9744 17936.8127 0.0000 0.0000 34298.7841 -149734.1267 299.5398 -184032.9108 -149637.0411 298.7908 159.5064 187.4681 555717.6601 -0.7453 -0.8696 PRESSURE: 587400 -178.285 109.602 49.2006 109.603 -353.529 59.1361 49.2016 59.1363 23.6527 GPRESSURE: 587400 -168.589 83.9021 24.5192 86.7648 -280.88 78.0974 -14.5897 32.068 26.6614 PRESSAVG: 587400 -7.43021 13.8436 39.0774 13.8436 -6.25551 -48.4806 39.0775 -48.4807 43.247 GPRESSAVG: 587400 -6.95571 13.2035 37.2392 14.6903 -5.65138 -48.872 38.7301 -48.1593 42.6926 TIMING: 587400 CPU: 1763.76, 0.00301755/step Wall: 1763.76, 0.00301755/step, 3.69868 hours remaining, 207.023438 MB of memory in use. ENERGY: 587400 774.7614 2105.3254 1944.1635 113.5030 -206276.5572 17645.3837 0.0000 0.0000 34105.7244 -149587.6958 297.8538 -183693.4202 -149487.3020 298.8502 -169.3872 -140.9358 556310.4540 9.8538 10.0285 PRESSURE: 587600 69.9046 142.916 183.823 142.915 -2.94066 -165.933 183.823 -165.932 148.088 GPRESSURE: 587600 111.328 97.9436 158.54 123.47 25.572 -206.924 143.304 -195.491 193.301 PRESSAVG: 587600 24.0054 15.3724 -24.1855 15.3723 22.2132 -32.455 -24.1855 -32.4551 14.1899 GPRESSAVG: 587600 23.2549 15.6434 -21.8273 16.1055 22.6047 -32.4086 -25.4963 -31.9766 15.196 TIMING: 587600 CPU: 1764.36, 0.0030006/step Wall: 1764.36, 0.0030006/step, 3.67773 hours remaining, 207.023438 MB of memory in use. ENERGY: 587600 710.0870 2104.4670 1923.0923 118.5263 -206792.3902 18021.3468 0.0000 0.0000 34353.6745 -149561.1963 300.0192 -183914.8708 -149464.0058 298.8776 71.6839 110.0671 557474.7544 20.1362 20.3518 PRESSURE: 587800 130.478 71.4152 103.496 71.4149 -218.618 -27.8042 103.498 -27.8034 -226.827 GPRESSURE: 587800 134.96 124.259 252.495 36.8139 -175.114 63.32 -40.5136 -31.4744 -164.76 PRESSAVG: 587800 3.61282 -4.6978 34.6635 -4.69795 -20.7214 -89.2319 34.6635 -89.2318 -27.5899 GPRESSAVG: 587800 4.40711 -6.32253 33.5516 -4.70535 -21.7043 -90.0619 36.8186 -89.8231 -26.9937 TIMING: 587800 CPU: 1764.96, 0.00301398/step Wall: 1764.96, 0.00301398/step, 3.69397 hours remaining, 207.023438 MB of memory in use. ENERGY: 587800 764.0873 2097.0064 1936.6672 108.4777 -206315.8769 17730.8027 0.0000 0.0000 34087.9760 -149590.8595 297.6988 -183678.8355 -149491.9669 298.0074 -104.9891 -68.3048 559285.9502 -14.8995 -14.7636 PRESSURE: 588000 -204.308 86.1035 -8.93789 86.1018 234.209 -29.8838 -8.93652 -29.8843 216.349 GPRESSURE: 588000 -130.999 48.5597 -83.5803 156.964 221.25 -84.6682 24.956 15.0414 254.943 PRESSAVG: 588000 -54.0068 57.375 58.7072 57.375 31.7194 -21.5052 58.7072 -21.5052 -23.17 GPRESSAVG: 588000 -52.9372 60.3891 57.8106 56.3001 32.0086 -19.8963 58.2129 -19.9097 -24.6931 TIMING: 588000 CPU: 1765.57, 0.00303772/step Wall: 1765.57, 0.00303772/step, 3.72289 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: 588000 730.0238 2070.1696 1925.5226 113.0546 -206326.7521 17884.4243 0.0000 0.0000 34167.1637 -149436.3937 298.3903 -183603.5573 -149344.4850 297.8391 82.0835 115.0646 557340.2644 -15.1524 -15.2072 PRESSURE: 588200 66.678 17.8602 -190.283 17.8599 -79.4031 81.2001 -190.282 81.2002 141.472 GPRESSURE: 588200 88.8959 -6.8555 -85.0232 6.95816 -53.2744 63.339 -159.977 169.2 192.541 PRESSAVG: 588200 -88.3592 26.3083 -24.6086 26.3084 17.0895 -3.38071 -24.6086 -3.38063 73.3629 GPRESSAVG: 588200 -89.0095 22.7705 -25.0535 28.7964 17.3328 -4.41957 -23.566 -6.17891 74.2109 TIMING: 588200 CPU: 1766.18, 0.00305649/step Wall: 1766.18, 0.00305649/step, 3.74573 hours remaining, 207.023438 MB of memory in use. ENERGY: 588200 775.3901 2064.3041 1936.8054 115.6479 -206416.7862 17947.5406 0.0000 0.0000 34315.6713 -149261.4269 299.6873 -183577.0981 -149162.0945 298.6814 42.9157 76.0541 558512.9565 0.6977 0.8447 LDB: ============= START OF LOAD BALANCING ============== 1769.7 LDB: ============== END OF LOAD BALANCING =============== 1769.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1769.7 LDB: ============= START OF LOAD BALANCING ============== 1770 LDB: Largest compute 4772 load 0.030238 is 25.7% of average load 0.117818 LDB: Average compute 0.001745 is 1.5% of average load 0.117818 LDB: TIME 1770 LOAD: AVG 0.117818 MAX 0.207136 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.051 MB LDB: TIME 1770 LOAD: AVG 0.117818 MAX 0.207136 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.254 MB LDB: TIME 1770 LOAD: AVG 0.117818 MAX 0.207136 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.254 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1770.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1770.01 PRESSURE: 588400 -76.2608 -122.42 -48.762 -122.421 -397.336 -56.3493 -48.7626 -56.3517 -1.37548 GPRESSURE: 588400 -94.1435 -174.466 -14.1474 -63.5169 -341.596 -118.846 -12.532 -81.2934 58.1941 PRESSAVG: 588400 -30.891 12.2727 -23.0756 12.2727 13.285 -27.5142 -23.0757 -27.5143 56.1771 GPRESSAVG: 588400 -28.6786 13.1393 -20.4439 10.9051 12.5558 -28.55 -25.1835 -23.7362 54.8929 TIMING: 588400 CPU: 1766.79, 0.0030536/step Wall: 1766.79, 0.0030536/step, 3.74202 hours remaining, 206.820312 MB of memory in use. ENERGY: 588400 737.1818 2139.4304 1950.5131 115.6664 -206452.2162 17826.3389 0.0000 0.0000 34272.1555 -149410.9301 299.3073 -183683.0855 -149311.0113 298.9092 -158.3242 -125.8484 557718.2295 12.8570 12.9234 PRESSURE: 588600 -182.897 62.1988 59.6887 62.1988 -224.871 -82.7091 59.6866 -82.71 78.002 GPRESSURE: 588600 -175.361 85.9339 60.0267 67.0274 -204.093 -120.176 4.2456 -52.5057 156.979 PRESSAVG: 588600 -59.3909 -0.737294 -20.7012 -0.73734 -5.52658 -19.8209 -20.7012 -19.8209 54.3601 GPRESSAVG: 588600 -61.0408 -0.371996 -21.3189 -1.27942 -4.15033 -19.8831 -19.8527 -21.7601 54.9573 TIMING: 588600 CPU: 1767.39, 0.00298667/step Wall: 1767.39, 0.00298667/step, 3.65983 hours remaining, 207.023438 MB of memory in use. ENERGY: 588600 712.9320 2108.3710 1896.5694 98.0911 -205871.9281 17542.0094 0.0000 0.0000 34167.3066 -149346.6485 298.3916 -183513.9551 -149253.9658 298.9433 -109.9218 -74.1583 557163.7135 -3.5191 -3.4113 PRESSURE: 588800 -171.035 186.107 -7.50073 186.107 -36.179 122.238 -7.50039 122.238 -187.459 GPRESSURE: 588800 -191.941 142.25 -9.99991 139.681 1.4168 209.697 40.3302 74.7389 -108.061 PRESSAVG: 588800 -9.47661 -40.0075 -26.1564 -40.0076 18.3326 -33.1985 -26.1564 -33.1984 -10.5751 GPRESSAVG: 588800 -9.07787 -41.8512 -25.5503 -38.3608 17.546 -32.3702 -26.7344 -33.2548 -10.4133 TIMING: 588800 CPU: 1767.99, 0.00301145/step Wall: 1767.99, 0.00301145/step, 3.69003 hours remaining, 207.023438 MB of memory in use. ENERGY: 588800 753.7880 2089.8109 1946.6097 106.8975 -205859.7062 17546.6699 0.0000 0.0000 34254.7396 -149161.1906 299.1552 -183415.9302 -149060.3268 299.2913 -131.5577 -99.5284 557838.3170 -0.5730 -0.6484 PRESSURE: 589000 -162.833 -48.9361 155.606 -48.9355 -94.3168 28.3912 155.606 28.3914 -128.904 GPRESSURE: 589000 -100.003 -97.0652 187.517 17.2751 -127.755 29.8546 195.946 49.3271 -63.5549 PRESSAVG: 589000 32.4484 -29.7988 26.0071 -29.7988 3.20094 -43.2358 26.0071 -43.2358 -37.492 GPRESSAVG: 589000 31.3895 -26.6756 25.3821 -32.422 4.48105 -44.2945 24.7544 -43.4567 -38.2699 TIMING: 589000 CPU: 1768.6, 0.00303783/step Wall: 1768.6, 0.00303783/step, 3.72218 hours remaining, 207.023438 MB of memory in use. ENERGY: 589000 773.8317 2090.4389 1924.5835 103.6231 -206095.5922 17736.0099 0.0000 0.0000 34128.8192 -149338.2858 298.0555 -183467.1051 -149239.0198 299.5992 -128.6847 -97.1044 558238.4024 -0.6142 -0.7998 PRESSURE: 589200 -6.56212 17.8188 -39.1161 17.8203 -170.682 -4.95845 -39.1159 -4.95805 176.935 GPRESSURE: 589200 0.137335 -1.34197 -33.8692 4.25214 -114.213 -82.2377 -81.3401 -31.0915 209.615 PRESSAVG: 589200 -20.0054 11.721 21.9955 11.721 -53.4355 -57.4586 21.9955 -57.4586 42.229 GPRESSAVG: 589200 -19.0446 12.7289 19.8163 12.5245 -54.3477 -57.5066 23.1126 -56.3489 41.9395 TIMING: 589200 CPU: 1769.21, 0.00302138/step Wall: 1769.21, 0.00302138/step, 3.70186 hours remaining, 207.023438 MB of memory in use. ENERGY: 589200 759.9980 2093.5782 1921.1576 109.4884 -206141.0172 17789.7758 0.0000 0.0000 34153.2245 -149313.7947 298.2686 -183467.0192 -149215.2379 298.7012 -0.1032 31.8462 557281.1628 -10.4039 -10.4842 PRESSURE: 589400 74.1904 100.504 -23.3036 100.504 125.834 -80.6396 -23.3031 -80.6394 -179.499 GPRESSURE: 589400 83.9142 123.82 -3.352 -9.13717 132.049 -45.7637 -42.7172 -146.859 -111.297 PRESSAVG: 589400 -17.0418 55.4797 3.11544 55.4796 -2.47028 -19.5545 3.11536 -19.5543 20.0536 GPRESSAVG: 589400 -17.6771 55.3149 2.97837 54.338 -3.81905 -20.5498 3.38359 -18.3128 22.5696 TIMING: 589400 CPU: 1769.82, 0.00305376/step Wall: 1769.82, 0.00305376/step, 3.74137 hours remaining, 207.023438 MB of memory in use. ENERGY: 589400 747.1543 2104.5570 1925.2343 108.6640 -206312.5628 17891.6858 0.0000 0.0000 34084.2297 -149451.0377 297.6661 -183535.2674 -149348.7258 298.5949 6.8418 34.8888 557665.0043 0.1805 0.3578 PRESSURE: 589600 189.74 -28.5852 -92.9324 -28.585 77.5362 -123.827 -92.934 -123.828 28.3098 GPRESSURE: 589600 225.542 22.9273 -49.4987 29.7158 100.123 -63.2368 -82.3925 -166.605 69.8778 PRESSAVG: 589600 15.6771 49.3805 15.5462 49.3805 7.71605 -11.9209 15.5461 -11.921 -24.623 GPRESSAVG: 589600 15.6273 47.1135 16.6843 51.8525 9.45137 -9.24195 15.8732 -13.7535 -25.7425 TIMING: 589600 CPU: 1770.42, 0.00302011/step Wall: 1770.42, 0.00302011/step, 3.69997 hours remaining, 207.023438 MB of memory in use. ENERGY: 589600 750.6612 2137.0653 1937.6479 120.6587 -206729.6030 18037.7094 0.0000 0.0000 34325.5252 -149420.3354 299.7733 -183745.8605 -149330.8578 298.2052 98.5285 131.8475 556905.5278 -0.4100 -0.2213 PRESSURE: 589800 -346.05 -144.127 117.539 -144.126 -378.701 -55.2571 117.536 -55.2581 -3.56051 GPRESSURE: 589800 -290.787 -124.054 98.0887 -92.038 -409.083 19.2218 106.168 -44.705 65.54 PRESSAVG: 589800 -7.29921 32.9899 55.0466 32.99 -34.2324 -21.01 55.0466 -21.01 50.6864 GPRESSAVG: 589800 -6.6843 31.9991 53.8566 31.9684 -37.1918 -23.0064 54.9898 -21.2244 51.8692 TIMING: 589800 CPU: 1771.02, 0.0030151/step Wall: 1771.02, 0.0030151/step, 3.69367 hours remaining, 207.023438 MB of memory in use. ENERGY: 589800 743.3487 2137.6480 1943.7653 125.8558 -206032.7551 17435.7013 0.0000 0.0000 34158.9232 -149487.5128 298.3184 -183646.4359 -149388.3852 298.9064 -242.7704 -211.4433 559246.9744 3.0516 2.6644 PRESSURE: 590000 -229.074 176.4 90.8947 176.4 -130.083 26.5545 90.8946 26.5545 -85.2842 GPRESSURE: 590000 -221.205 188.778 146.783 165.959 -53.3083 -25.4499 148.135 112.465 -70.2948 PRESSAVG: 590000 -37.595 -22.3203 14.2785 -22.3202 51.2971 -22.5077 14.2784 -22.5076 25.1986 GPRESSAVG: 590000 -36.8995 -20.0129 16.819 -21.8054 52.5643 -19.3894 13.168 -22.8638 22.8227 TIMING: 590000 CPU: 1771.63, 0.00304759/step Wall: 1771.63, 0.00304759/step, 3.7333 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: 590000 752.2135 2104.4008 1948.6877 122.3855 -206275.7671 17739.9152 0.0000 0.0000 34209.1474 -149399.0169 298.7570 -183608.1643 -149301.7183 298.2823 -148.1472 -114.9359 558006.3384 12.9669 12.8292 PRESSURE: 590200 228.329 -94.7427 -11.0308 -94.7416 115.117 -79.2477 -11.0309 -79.248 130.85 GPRESSURE: 590200 268.386 -154.875 26.8847 -58.2145 154.794 -120.994 -34.0514 -63.5946 144.933 PRESSAVG: 590200 2.80542 -22.188 35.158 -22.1881 82.8997 20.8016 35.1581 20.8015 -30.3168 GPRESSAVG: 590200 2.0396 -23.6545 33.1127 -20.3976 83.6093 17.9495 35.4033 20.7111 -30.2866 TIMING: 590200 CPU: 1772.24, 0.00305151/step Wall: 1772.24, 0.00305151/step, 3.73793 hours remaining, 207.023438 MB of memory in use. ENERGY: 590200 715.6023 2099.0909 1948.0713 102.6478 -206033.9878 17699.9104 0.0000 0.0000 34166.3753 -149302.2898 298.3835 -183468.6651 -149198.9971 298.2682 158.0987 189.3711 557052.5845 18.4628 18.4541 PRESSURE: 590400 -27.8819 -135.649 -80.911 -135.649 -28.6428 -143.463 -80.9122 -143.462 -125.589 GPRESSURE: 590400 -4.32988 -151.593 -75.7547 -167.96 -53.4218 -62.7496 -79.8396 -160.037 -35.3449 PRESSAVG: 590400 -3.06761 3.14598 -20.449 3.14596 14.3363 10.0966 -20.449 10.0966 21.5772 GPRESSAVG: 590400 -3.27434 2.48769 -21.3167 3.48931 12.9905 11.8057 -18.2409 10.3996 22.6958 TIMING: 590400 CPU: 1772.85, 0.00305075/step Wall: 1772.85, 0.00305075/step, 3.73683 hours remaining, 207.023438 MB of memory in use. ENERGY: 590400 749.0256 2070.3630 1939.3955 126.9492 -206238.3185 17830.4542 0.0000 0.0000 34020.5314 -149501.5996 297.1098 -183522.1310 -149406.8726 298.7469 -60.7046 -31.0322 558839.6136 10.9486 10.8040 PRESSURE: 590600 145.212 -115.624 -24.6867 -115.624 -252.828 -128.909 -24.6873 -128.908 -7.88887 GPRESSURE: 590600 98.349 12.2464 -38.6397 -113.547 -218.085 -73.342 -18.8319 -112.615 93.6126 PRESSAVG: 590600 -0.533819 -111.635 -10.8987 -111.635 -9.03208 -25.0227 -10.8988 -25.0227 6.45963 GPRESSAVG: 590600 0.241367 -109.818 -10.3711 -113.21 -8.43513 -24.7069 -12.2969 -26.8205 4.72019 TIMING: 590600 CPU: 1773.46, 0.00303906/step Wall: 1773.46, 0.00303906/step, 3.72234 hours remaining, 207.023438 MB of memory in use. ENERGY: 590600 734.7652 2152.1951 1931.9137 111.6131 -206724.4849 18073.3180 0.0000 0.0000 34443.0649 -149277.6149 300.7999 -183720.6797 -149179.7253 299.2193 -38.5016 -8.7077 558923.5681 -1.0354 -1.1579 PRESSURE: 590800 -94.7903 -92.0481 19.0397 -92.0466 120.686 -34.6036 19.0388 -34.6039 -136.335 GPRESSURE: 590800 -53.6007 -229.794 50.5371 12.4835 142.662 -35.2803 6.16136 -54.1462 -109.544 PRESSAVG: 590800 -26.0992 17.1331 -47.8296 17.1332 51.9687 -47.453 -47.8295 -47.453 -36.8751 GPRESSAVG: 590800 -27.4405 14.8074 -49.1374 19.0753 50.646 -47.365 -46.9206 -47.4171 -34.9085 TIMING: 590800 CPU: 1774.07, 0.00303647/step Wall: 1774.07, 0.00303647/step, 3.719 hours remaining, 207.023438 MB of memory in use. ENERGY: 590800 792.3298 2072.1616 1936.8395 105.0562 -206651.8815 17997.7657 0.0000 0.0000 34090.1679 -149657.5609 297.7179 -183747.7287 -149561.0959 299.3807 -36.8133 -6.8277 558054.6224 -3.6685 -3.9010 PRESSURE: 591000 178.395 72.6033 -57.7629 72.603 424.092 -194.609 -57.7627 -194.612 111.876 GPRESSURE: 591000 270.23 -4.9404 -71.4974 138.844 402.931 -158.752 -69.6124 -161.143 147.039 PRESSAVG: 591000 5.78648 -9.97984 34.809 -9.9798 54.8282 -35.7678 34.809 -35.7677 -29.3404 GPRESSAVG: 591000 5.44217 -9.52152 37.3019 -9.88932 55.7964 -37.983 33.1975 -32.8479 -29.809 TIMING: 591000 CPU: 1774.67, 0.00300658/step Wall: 1774.67, 0.00300658/step, 3.68222 hours remaining, 207.023438 MB of memory in use. ENERGY: 591000 738.9354 2028.7125 1948.6238 105.6567 -206903.5437 18280.3154 0.0000 0.0000 34153.6418 -149647.6582 298.2722 -183801.3000 -149546.4925 298.1040 238.1208 273.4000 555553.5819 10.4247 10.4765 PRESSURE: 591200 -147.792 5.48793 -100.483 5.48823 324.053 -151.569 -100.485 -151.57 -189.996 GPRESSURE: 591200 -136.825 -126.798 -35.16 61.6609 344.351 -74.5366 -157.459 -232.474 -121.589 PRESSAVG: 591200 -9.11835 10.1611 -26.1216 10.1611 64.9401 -29.734 -26.1217 -29.734 -70.3407 GPRESSAVG: 591200 -8.86524 12.043 -27.0342 7.76132 66.318 -27.9076 -24.4545 -31.5817 -71.0528 TIMING: 591200 CPU: 1775.27, 0.00301813/step Wall: 1775.27, 0.00301813/step, 3.69621 hours remaining, 207.023438 MB of memory in use. ENERGY: 591200 727.5921 2075.9280 1920.5483 115.5409 -206707.7667 18005.8484 0.0000 0.0000 34228.6417 -149633.6673 298.9272 -183862.3090 -149535.0135 298.0670 -4.5784 28.6458 557653.8958 -4.8397 -4.5333 PRESSURE: 591400 -262.743 196.791 41.9365 196.79 -20.3113 104.132 41.9356 104.133 -311.067 GPRESSURE: 591400 -223.711 168.655 -12.5412 111.276 14.9875 44.4169 73.7871 47.4807 -284.122 PRESSAVG: 591400 42.2767 25.5452 -2.07389 25.5453 9.64089 -12.444 -2.07391 -12.444 -25.9133 GPRESSAVG: 591400 42.4898 26.6648 -1.1462 27.8955 9.33609 -14.4935 -0.498971 -11.6723 -25.9265 TIMING: 591400 CPU: 1775.88, 0.00302242/step Wall: 1775.88, 0.00302242/step, 3.70129 hours remaining, 207.023438 MB of memory in use. ENERGY: 591400 750.0228 2076.2154 1934.8645 116.2839 -206333.1095 17691.4984 0.0000 0.0000 34239.5919 -149524.6325 299.0229 -183764.2244 -149418.7451 298.8158 -198.0403 -164.2820 557559.0639 8.6681 8.6331 PRESSURE: 591600 -38.9065 57.6332 56.9097 57.6327 -256.857 56.9411 56.9101 56.9394 77.1655 GPRESSURE: 591600 -28.2357 -45.9139 104.897 128.214 -160.633 17.676 99.9177 53.3886 68.58 PRESSAVG: 591600 57.1173 -40.7328 18.4912 -40.7328 54.6334 27.5992 18.4912 27.5992 -43.182 GPRESSAVG: 591600 57.1629 -42.3583 19.5976 -40.8685 55.0488 30.3854 16.4279 26.0557 -43.671 TIMING: 591600 CPU: 1776.48, 0.00302193/step Wall: 1776.48, 0.00302193/step, 3.70052 hours remaining, 207.023438 MB of memory in use. ENERGY: 591600 768.3255 2077.6560 1913.8265 119.8317 -206212.0969 17649.0463 0.0000 0.0000 34126.9265 -149556.4844 298.0389 -183683.4109 -149456.4783 298.5045 -72.8662 -40.0962 558874.0280 22.8562 22.8469 PRESSURE: 591800 -76.3715 -28.3491 -8.77601 -28.3488 -264.831 39.4397 -8.77708 39.4391 -122.022 GPRESSURE: 591800 -85.0266 -0.67327 68.9588 -40.9826 -280.614 -9.44259 1.13416 53.7942 4.34517 PRESSAVG: 591800 -25.7801 -3.7691 36.8266 -3.76914 45.6023 35.2369 36.8267 35.2369 -31.4306 GPRESSAVG: 591800 -26.967 -6.90002 36.2091 -3.73936 45.1082 32.4615 37.6534 36.9906 -30.047 TIMING: 591800 CPU: 1777.09, 0.00302229/step Wall: 1777.09, 0.00302229/step, 3.7008 hours remaining, 207.023438 MB of memory in use. ENERGY: 591800 767.2086 2062.6605 1940.2047 111.0018 -206208.4304 17584.9279 0.0000 0.0000 34312.2145 -149430.2124 299.6571 -183742.4269 -149324.1618 298.6730 -154.4083 -120.4318 556750.6709 -3.8695 -3.9686 PRESSURE: 592000 -224.538 -135.384 184.835 -135.384 -329.873 -119.995 184.834 -119.997 -263.598 GPRESSURE: 592000 -201.475 -106.82 124.44 -143.713 -277.532 -67.8188 157.853 -61.0084 -252.554 PRESSAVG: 592000 19.7726 -23.0372 45.8666 -23.0373 -30.7912 -39.7028 45.8667 -39.7028 5.8569 GPRESSAVG: 592000 20.8266 -18.2488 44.7828 -24.9516 -31.324 -39.137 45.2981 -41.2341 4.67887 TIMING: 592000 CPU: 1777.7, 0.00305046/step Wall: 1777.7, 0.00305046/step, 3.73512 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: 592000 751.1244 2121.3140 1938.9939 104.4549 -206095.0619 17435.1424 0.0000 0.0000 34214.3847 -149529.6475 298.8027 -183744.0322 -149434.4896 298.5130 -272.6699 -243.8537 557501.6957 -1.7206 -1.9395 PRESSURE: 592200 500.637 -134.926 -173.851 -134.926 -175.798 -115.308 -173.85 -115.307 -334.145 GPRESSURE: 592200 538.377 -140.779 -173.498 -139.657 -146.559 -45.3816 -127.283 -140.755 -301.872 PRESSAVG: 592200 66.4183 -54.0162 -12.6655 -54.0162 -18.3517 -11.6297 -12.6654 -11.6297 -43.9679 GPRESSAVG: 592200 66.0618 -54.9944 -11.3172 -53.2467 -18.9758 -10.9177 -12.5434 -10.2672 -42.7322 TIMING: 592200 CPU: 1778.3, 0.0030001/step Wall: 1778.3, 0.0030001/step, 3.67329 hours remaining, 207.023438 MB of memory in use. ENERGY: 592200 747.0559 2099.7382 1955.9155 110.2420 -206318.6972 17735.9938 0.0000 0.0000 34088.7632 -149580.9885 297.7056 -183669.7518 -149486.4031 298.1373 -3.1022 29.9821 556332.5888 1.3662 1.4512 LDB: ============= START OF LOAD BALANCING ============== 1781.81 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1781.82 LDB: =============== DONE WITH MIGRATION ================ 1781.82 LDB: ============= START OF LOAD BALANCING ============== 1782.12 LDB: Largest compute 4772 load 0.030497 is 25.9% of average load 0.117885 LDB: Average compute 0.001735 is 1.5% of average load 0.117885 LDB: TIME 1782.12 LOAD: AVG 0.117885 MAX 0.207897 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.078 MB LDB: TIME 1782.12 LOAD: AVG 0.117885 MAX 0.207897 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.082 MB LDB: TIME 1782.12 LOAD: AVG 0.117885 MAX 0.207897 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.082 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1782.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1782.13 PRESSURE: 592400 93.8014 5.99802 -103.003 5.99864 -154.256 15.1785 -103.003 15.1777 -78.8993 GPRESSURE: 592400 128.185 50.0612 -173.095 -51.1674 -128.78 35.0759 -27.078 42.0493 -36.4868 PRESSAVG: 592400 36.3248 -10.657 -28.0249 -10.657 -43.9526 53.8557 -28.025 53.8558 18.5166 GPRESSAVG: 592400 36.7692 -12.0663 -29.9527 -11.4829 -42.0631 54.9943 -27.7359 52.863 16.6151 TIMING: 592400 CPU: 1778.91, 0.00306869/step Wall: 1778.91, 0.00306869/step, 3.7571 hours remaining, 207.007812 MB of memory in use. ENERGY: 592400 718.9939 2051.9305 1927.8340 105.9057 -206177.5057 17723.1317 0.0000 0.0000 33990.2585 -149659.4513 296.8454 -183649.7099 -149556.5188 297.2350 -46.4512 -12.3608 556366.2903 3.6296 3.7738 PRESSURE: 592600 -192.843 -34.2058 -13.5975 -34.2055 210.883 -31.6635 -13.5978 -31.6613 92.6702 GPRESSURE: 592600 -142.467 8.13841 -46.8994 -20.8738 180.262 -5.81558 8.79296 48.8723 170.994 PRESSAVG: 592600 3.7467 7.6068 0.123716 7.6068 74.6883 9.28203 0.123722 9.28201 -37.3014 GPRESSAVG: 592600 4.38909 6.82685 1.33416 8.83101 73.5087 6.07676 -0.647973 10.1436 -37.2686 TIMING: 592600 CPU: 1779.51, 0.00301909/step Wall: 1779.51, 0.00301909/step, 3.69621 hours remaining, 207.152344 MB of memory in use. ENERGY: 592600 737.2798 2094.0892 1943.9237 100.8191 -206395.7770 17855.6313 0.0000 0.0000 34091.3913 -149572.6426 297.7286 -183664.0339 -149474.8633 298.5057 36.9031 69.5964 556418.6053 13.7112 13.5431 PRESSURE: 592800 -62.7921 46.0259 36.143 46.0247 -64.3796 -21.7937 36.1443 -21.7938 124.422 GPRESSURE: 592800 -69.7588 14.1548 4.24242 117.92 -4.26402 79.6313 93.4312 -15.527 184.343 PRESSAVG: 592800 -47.2292 68.3288 -11.4375 68.3286 -2.6074 -23.6825 -11.4375 -23.6825 50.5895 GPRESSAVG: 592800 -47.4981 68.8307 -11.7892 66.9083 -3.18709 -21.742 -11.0217 -23.9335 51.5627 TIMING: 592800 CPU: 1780.12, 0.00302218/step Wall: 1780.12, 0.00302218/step, 3.69983 hours remaining, 207.152344 MB of memory in use. ENERGY: 592800 755.7647 2141.1235 1948.8607 119.0907 -206469.6150 17900.9338 0.0000 0.0000 34091.6837 -149512.1579 297.7312 -183603.8416 -149417.2398 298.2029 -0.9165 36.7734 556841.1355 0.2509 0.2925 PRESSURE: 593000 -84.6174 73.7807 -11.7508 73.7797 -31.5711 -146.307 -11.7511 -146.307 -199.027 GPRESSURE: 593000 -91.8914 53.6745 -112.618 81.5096 37.3363 -77.4666 24.6983 -140.429 -145.005 PRESSAVG: 593000 -25.1239 13.7793 -23.7519 13.7793 60.64 -45.9288 -23.752 -45.9287 6.27874 GPRESSAVG: 593000 -25.9553 14.3001 -25.9581 13.6366 61.1953 -47.6682 -21.8613 -44.3381 5.88256 TIMING: 593000 CPU: 1780.72, 0.00300206/step Wall: 1780.72, 0.00300206/step, 3.67503 hours remaining, 207.152344 MB of memory in use. ENERGY: 593000 743.0784 2077.5354 1939.5113 106.3338 -206518.6829 17810.8458 0.0000 0.0000 34447.3279 -149394.0505 300.8371 -183841.3784 -149299.1199 299.7147 -105.0720 -66.5200 556371.0154 13.9316 13.7075 PRESSURE: 593200 147.807 98.449 -32.2709 98.4502 33.8864 -54.5188 -32.2709 -54.5184 148.689 GPRESSURE: 593200 200.217 70.541 -63.1124 23.4635 91.1754 -23.8912 -18.0556 -52.515 123.844 PRESSAVG: 593200 -31.8455 -26.1722 -36.3501 -26.1722 7.86914 -11.4734 -36.3501 -11.4733 -4.38774 GPRESSAVG: 593200 -31.9894 -25.0264 -34.4041 -24.6652 8.78788 -9.57976 -37.8393 -13.4097 -5.37094 TIMING: 593200 CPU: 1781.32, 0.00299219/step Wall: 1781.32, 0.00299219/step, 3.66277 hours remaining, 207.152344 MB of memory in use. ENERGY: 593200 732.0495 2145.5996 1942.7140 120.8277 -206653.3720 18123.5725 0.0000 0.0000 34252.1760 -149336.4328 299.1328 -183588.6088 -149241.1301 298.6940 110.1276 138.4121 558117.8498 -9.4547 -9.5242 PRESSURE: 593400 39.7474 59.9677 -53.6198 59.9669 -99.1138 84.5421 -53.6204 84.5409 -182.661 GPRESSURE: 593400 67.9531 57.0338 -117.21 47.8151 -61.2118 51.5354 -59.5008 72.1028 -140.995 PRESSAVG: 593400 32.0087 -1.54118 -49.4968 -1.54132 11.7668 27.0043 -49.4968 27.0042 -15.7634 GPRESSAVG: 593400 32.7649 -3.79125 -48.1182 -1.72723 9.68302 24.6512 -50.2281 27.2421 -14.6654 TIMING: 593400 CPU: 1781.92, 0.00300095/step Wall: 1781.92, 0.00300095/step, 3.67334 hours remaining, 207.152344 MB of memory in use. ENERGY: 593400 707.8760 2101.3936 1952.1674 117.7009 -206068.2406 17741.2900 0.0000 0.0000 34211.2549 -149236.5579 298.7754 -183447.8127 -149128.7099 299.0863 -80.6758 -44.7512 558496.1526 9.3374 9.2609 PRESSURE: 593600 -104.339 -43.74 -110.384 -43.7383 17.986 126.317 -110.386 126.316 -183.848 GPRESSURE: 593600 -97.1816 -71.0958 -71.4154 -57.9796 35.37 193.672 -173.38 161.554 -90.3806 PRESSAVG: 593600 75.663 44.6008 -17.7663 44.6008 -4.44882 -17.4493 -17.7664 -17.4493 -56.5878 GPRESSAVG: 593600 75.1159 45.5078 -18.9943 44.0376 -2.99769 -15.1401 -18.5526 -17.7168 -57.395 TIMING: 593600 CPU: 1782.52, 0.00299168/step Wall: 1782.52, 0.00299168/step, 3.66182 hours remaining, 207.152344 MB of memory in use. ENERGY: 593600 720.3056 2180.3212 1926.7956 103.4892 -206118.6457 17693.5998 0.0000 0.0000 34162.2955 -149331.8388 298.3478 -183494.1343 -149230.9483 298.8470 -90.0672 -50.7307 558094.2899 4.8755 4.9078 PRESSURE: 593800 72.2573 -56.203 38.0286 -56.2033 -82.6447 104.742 38.0286 104.741 353.132 GPRESSURE: 593800 76.2181 -67.4947 76.2848 -150.21 -78.4022 86.0856 42.0637 137.995 441.053 PRESSAVG: 593800 27.8234 24.2475 22.7007 24.2474 -1.19969 16.5596 22.7007 16.5595 22.2763 GPRESSAVG: 593800 27.3959 23.6678 23.5626 23.085 -0.736092 16.5189 24.3977 17.5181 21.7507 TIMING: 593800 CPU: 1783.12, 0.00302435/step Wall: 1783.12, 0.00302435/step, 3.70164 hours remaining, 207.152344 MB of memory in use. ENERGY: 593800 752.5715 2096.5699 1953.4387 128.2553 -206858.0454 18306.6300 0.0000 0.0000 34320.6037 -149299.9762 299.7304 -183620.5799 -149200.8300 299.1496 114.2482 146.2897 557523.4158 16.3000 16.1368 PRESSURE: 594000 92.9135 -90.2794 -41.629 -90.279 56.4042 19.3766 -41.6294 19.3759 -55.023 GPRESSURE: 594000 69.8791 -27.0381 -56.8315 -48.7582 111.043 -49.7138 12.6299 0.597244 -3.32783 PRESSAVG: 594000 11.7437 8.94029 59.1114 8.94026 6.84181 40.9454 59.1113 40.9453 13.8785 GPRESSAVG: 594000 11.4192 9.22724 58.436 12.6165 7.47798 40.1132 58.0246 39.7735 14.0228 TIMING: 594000 CPU: 1783.72, 0.00299349/step Wall: 1783.72, 0.00299349/step, 3.66369 hours remaining, 207.152344 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: 594000 768.1653 2154.3981 1937.1871 115.9062 -206452.3836 17970.7351 0.0000 0.0000 34223.8337 -149282.1580 298.8853 -183505.9918 -149192.3667 298.4397 31.4315 59.1979 557524.6925 10.8214 10.9733 PRESSURE: 594200 -35.2693 124.236 -80.1015 124.236 77.9178 -25.4538 -80.102 -25.4549 -112.476 GPRESSURE: 594200 -55.2675 125.351 -31.0755 124.402 108.763 63.2512 -54.7613 -38.1502 -39.1185 PRESSAVG: 594200 42.8235 10.8099 -28.8093 10.8099 -31.0986 29.2461 -28.8093 29.2461 -22.9447 GPRESSAVG: 594200 44.7571 11.9189 -29.5707 8.46154 -32.2444 27.9802 -27.1362 31.3714 -24.0376 TIMING: 594200 CPU: 1784.32, 0.0029855/step Wall: 1784.32, 0.0029855/step, 3.65375 hours remaining, 207.152344 MB of memory in use. ENERGY: 594200 728.4091 2090.4872 1929.1730 115.1069 -206350.3791 17705.5443 0.0000 0.0000 34338.3065 -149443.3522 299.8850 -183781.6586 -149344.5288 298.7568 -23.2758 4.7925 558039.2679 -3.7399 -3.8416 PRESSURE: 594400 24.7533 -2.2099 213.636 -2.20973 52.9019 -227.441 213.634 -227.44 195.986 GPRESSURE: 594400 100.454 -47.6851 171.457 -3.62075 73.1305 -183.232 211.887 -209.281 204.117 PRESSAVG: 594400 -13.0559 27.7877 -60.9729 27.7877 -0.349944 -26.4082 -60.973 -26.4082 12.1555 GPRESSAVG: 594400 -14.3187 28.1133 -58.9105 29.5712 -0.792842 -26.3271 -59.6124 -26.7942 13.2964 TIMING: 594400 CPU: 1784.92, 0.00299061/step Wall: 1784.92, 0.00299061/step, 3.65985 hours remaining, 207.152344 MB of memory in use. ENERGY: 594400 724.9817 2068.1888 1957.5972 103.2036 -206624.5220 17995.7613 0.0000 0.0000 34386.8898 -149387.8996 300.3093 -183774.7895 -149278.9937 298.6177 91.2136 125.9007 559033.8045 -0.4168 -0.6050 PRESSURE: 594600 130.462 -30.4131 -194.579 -30.4122 -159.227 5.74143 -194.579 5.74142 79.066 GPRESSURE: 594600 146.321 -48.1932 -180.348 30.0986 -113.652 -80.9091 -259.202 18.5894 115.932 PRESSAVG: 594600 -7.7136 -8.35408 -3.94884 -8.35411 -6.48965 -75.2381 -3.94884 -75.2381 -1.28698 GPRESSAVG: 594600 -8.62494 -8.70577 -3.96288 -9.33119 -5.8938 -74.1713 -7.07692 -73.538 -1.29582 TIMING: 594600 CPU: 1785.52, 0.00300411/step Wall: 1785.52, 0.00300411/step, 3.67619 hours remaining, 207.152344 MB of memory in use. ENERGY: 594600 765.3425 2132.8811 1957.2926 90.9305 -206367.7254 17961.3232 0.0000 0.0000 34180.8086 -149279.1469 298.5095 -183459.9555 -149187.3911 299.3169 16.7669 49.5336 557576.8368 -5.1634 -5.2715 PRESSURE: 594800 -81.56 -7.94484 24.0367 -7.944 -137.107 -14.9935 24.0366 -14.9918 -290.633 GPRESSURE: 594800 -37.7832 27.6592 40.2044 -49.648 -157.64 -34.9889 79.4988 -6.82765 -217.463 PRESSAVG: 594800 -10.7733 -14.5805 -6.43873 -14.5803 -58.5758 -17.2149 -6.43867 -17.2149 53.9506 GPRESSAVG: 594800 -10.3456 -14.6391 -6.98901 -15.0129 -59.188 -17.9548 -3.91061 -20.5334 54.2864 TIMING: 594800 CPU: 1786.12, 0.00300145/step Wall: 1786.12, 0.00300145/step, 3.67277 hours remaining, 207.152344 MB of memory in use. ENERGY: 594800 761.0808 2071.5177 1899.9100 118.7139 -206145.6399 17575.9306 0.0000 0.0000 34250.8701 -149467.6168 299.1214 -183718.4869 -149376.6249 298.9474 -169.7669 -137.6289 557541.1833 -5.1328 -5.0824 PRESSURE: 595000 -50.4141 -29.0296 158.547 -29.029 -79.5159 -190.234 158.548 -190.236 135.638 GPRESSURE: 595000 -33.1171 2.95219 297.1 -93.8825 -95.8625 -146.487 128.831 -261.392 231.143 PRESSAVG: 595000 33.9441 61.3359 6.11605 61.3359 -26.4449 13.7732 6.11601 13.7732 -0.72869 GPRESSAVG: 595000 35.2664 61.2167 7.8539 61.6996 -26.1577 15.0406 5.13835 15.8168 -2.11665 TIMING: 595000 CPU: 1786.72, 0.00303887/step Wall: 1786.72, 0.00303887/step, 3.7184 hours remaining, 207.152344 MB of memory in use. ENERGY: 595000 754.7131 2120.4061 1924.6136 103.4605 -206720.9702 17983.5264 0.0000 0.0000 34499.4950 -149334.7554 301.2927 -183834.2505 -149234.2745 298.7054 1.9027 34.0544 557105.5376 2.2568 2.3307 PRESSURE: 595200 -13.6454 -19.0036 -142.298 -19.0036 -80.7501 51.9556 -142.299 51.9539 -115.588 GPRESSURE: 595200 -8.19681 -57.1019 -146.127 93.7094 -49.9822 68.0232 -139.045 89.1274 -54.0407 PRESSAVG: 595200 17.1999 -36.0213 -5.17024 -36.0213 -61.4003 -38.5076 -5.17021 -38.5075 4.98838 GPRESSAVG: 595200 16.1349 -36.1226 -7.24671 -37.1939 -60.2856 -38.9485 -4.81578 -38.4888 5.73345 TIMING: 595200 CPU: 1787.33, 0.00303633/step Wall: 1787.33, 0.00303633/step, 3.71512 hours remaining, 207.152344 MB of memory in use. ENERGY: 595200 705.9315 2174.8240 1935.8929 130.4732 -205847.5733 17607.4762 0.0000 0.0000 34167.2518 -149125.7239 298.3911 -183292.9757 -149024.3556 299.4040 -69.9944 -37.4066 558744.1883 -13.0707 -12.8057 PRESSURE: 595400 196.591 -23.0045 119.869 -23.0047 84.981 -82.4915 119.87 -82.4907 -23.6692 GPRESSURE: 595400 215.327 -27.2476 161.806 -13.5468 116.947 -32.2259 137.287 -160.571 30.5852 PRESSAVG: 595400 -53.7113 -35.4646 -11.0177 -35.4644 37.6539 44.2209 -11.0178 44.221 -11.7878 GPRESSAVG: 595400 -53.3078 -32.1753 -11.2178 -34.7164 37.0007 45.4581 -9.35934 43.2077 -11.6775 TIMING: 595400 CPU: 1787.94, 0.00303494/step Wall: 1787.94, 0.00303494/step, 3.71324 hours remaining, 207.152344 MB of memory in use. ENERGY: 595400 695.5225 2168.3945 1941.0024 110.6932 -205989.3204 17848.7053 0.0000 0.0000 34143.6938 -149081.3089 298.1854 -183225.0026 -148982.0317 299.1105 85.9677 120.9530 557274.2081 -9.2817 -9.3282 PRESSURE: 595600 -15.8429 -103.233 123.401 -103.233 25.0079 47.1319 123.401 47.1322 -141.76 GPRESSURE: 595600 -17.5575 -95.3456 60.3179 -133.567 55.5095 18.5379 155.505 59.4459 -75.2038 PRESSAVG: 595600 44.7169 -26.3199 61.9436 -26.3199 1.4015 11.893 61.9437 11.8929 -42.3738 GPRESSAVG: 595600 43.2923 -28.2482 63.4126 -25.4298 1.67644 9.2172 60.0716 14.631 -41.3345 TIMING: 595600 CPU: 1788.53, 0.00298329/step Wall: 1788.53, 0.00298329/step, 3.64989 hours remaining, 207.152344 MB of memory in use. ENERGY: 595600 742.3664 2101.8643 1909.0717 109.3010 -206446.4963 17854.9133 0.0000 0.0000 34431.3373 -149297.6423 300.6974 -183728.9797 -149196.1235 299.9088 -44.1985 -12.4173 556591.4460 1.2482 1.2114 PRESSURE: 595800 48.4926 -84.9587 18.1863 -84.9591 40.2482 96.7885 18.1862 96.7893 -5.65148 GPRESSURE: 595800 102.216 -181.958 53.2479 -51.246 72.2941 152.243 -15.8963 -8.14894 18.0406 PRESSAVG: 595800 13.6873 -57.1981 34.4893 -57.1982 -6.2325 -29.648 34.4892 -29.6482 -60.4074 GPRESSAVG: 595800 16.2808 -58.2261 33.3412 -57.0721 -7.9339 -27.8405 35.3075 -31.6727 -61.2649 TIMING: 595800 CPU: 1789.14, 0.00300181/step Wall: 1789.14, 0.00300181/step, 3.67238 hours remaining, 207.152344 MB of memory in use. ENERGY: 595800 766.8116 2070.6517 1931.8680 125.5442 -206833.2392 18195.3109 0.0000 0.0000 34529.7764 -149213.2763 301.5571 -183743.0527 -149118.6518 299.9920 27.6964 64.1835 556085.9970 -17.6509 -17.6393 PRESSURE: 596000 -78.3348 114.328 -64.1424 114.327 -246.204 66.2631 -64.1435 66.2629 16.7402 GPRESSURE: 596000 -58.1785 113.953 -33.3083 33.0565 -184.243 52.6332 -52.2618 38.6025 36.413 PRESSAVG: 596000 36.9791 -1.15421 2.79502 -1.15424 6.23867 -6.11571 2.79502 -6.11582 -33.0103 GPRESSAVG: 596000 35.8401 -0.405952 2.17511 -3.48597 7.72795 -6.12412 4.16946 -6.03122 -32.6566 TIMING: 596000 CPU: 1789.74, 0.00300735/step Wall: 1789.74, 0.00300735/step, 3.679 hours remaining, 207.152344 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: 596000 757.0659 2038.7005 1936.7577 105.7778 -206372.4282 17707.8396 0.0000 0.0000 34556.8436 -149269.4431 301.7935 -183826.2867 -149163.9612 299.2797 -102.5994 -68.6694 558162.8329 3.4025 3.6372 PRESSURE: 596200 223.902 -93.9419 -154.651 -93.9412 -19.4908 -56.4168 -154.651 -56.4178 -198.305 GPRESSURE: 596200 244.408 -24.7832 -100.814 -149.333 -13.0639 -58.0859 -176.025 -101.173 -121.356 PRESSAVG: 596200 105.181 29.8652 13.6194 29.8654 -75.1735 30.1932 13.6194 30.1932 -48.6621 GPRESSAVG: 596200 104.802 31.061 10.8572 29.2064 -73.9715 30.5613 14.4824 30.4921 -49.1251 TIMING: 596200 CPU: 1790.34, 0.0030345/step Wall: 1790.34, 0.0030345/step, 3.71204 hours remaining, 207.152344 MB of memory in use. ENERGY: 596200 758.3875 2074.1932 1932.4595 117.5582 -206602.8949 18142.4819 0.0000 0.0000 34341.1780 -149236.6366 299.9100 -183577.8146 -149135.9492 298.6898 2.0353 36.6627 557620.7439 -6.2181 -6.0983 LDB: ============= START OF LOAD BALANCING ============== 1793.86 LDB: ============== END OF LOAD BALANCING =============== 1793.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1793.86 LDB: ============= START OF LOAD BALANCING ============== 1794.17 LDB: Largest compute 4772 load 0.028552 is 24.2% of average load 0.117841 LDB: Average compute 0.001736 is 1.5% of average load 0.117841 LDB: TIME 1794.17 LOAD: AVG 0.117841 MAX 0.20948 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.562 MB LDB: TIME 1794.17 LOAD: AVG 0.117841 MAX 0.20948 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.562 MB LDB: TIME 1794.17 LOAD: AVG 0.117841 MAX 0.20948 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.562 MB LDB: ============== END OF LOAD BALANCING =============== 1794.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1794.18 PRESSURE: 596400 179.542 153.471 105.108 153.473 343.244 13.8795 105.108 13.8822 -8.216 GPRESSURE: 596400 205.438 89.9423 107.494 85.6156 364.984 -24.7153 147.652 125.517 41.6204 PRESSAVG: 596400 0.568198 18.6149 55.7464 18.6148 -7.54709 -13.9954 55.7464 -13.9954 30.264 GPRESSAVG: 596400 2.22917 14.9846 59.2138 20.8958 -10.4253 -15.3515 52.2507 -13.9421 31.7095 TIMING: 596400 CPU: 1790.96, 0.00307674/step Wall: 1790.96, 0.00307674/step, 3.76354 hours remaining, 207.078125 MB of memory in use. ENERGY: 596400 751.6097 2141.1420 1909.9978 108.1486 -207077.1882 18304.3032 0.0000 0.0000 34288.9713 -149573.0157 299.4541 -183861.9871 -149474.1782 298.9715 171.5233 204.0138 557102.6512 7.7617 7.8378 PRESSURE: 596600 -46.9138 63.9282 148.246 63.9282 -75.4086 -162.053 148.245 -162.053 -43.4734 GPRESSURE: 596600 30.0815 98.7793 125.401 37.0567 -44.0301 -191.358 130.223 -116.034 -63.8528 PRESSAVG: 596600 33.1576 -41.9026 45.7562 -41.9025 17.7549 2.49931 45.7563 2.49932 -56.9759 GPRESSAVG: 596600 31.7752 -41.7107 46.3875 -41.8483 19.5843 4.87649 46.3867 2.346 -57.7114 TIMING: 596600 CPU: 1791.57, 0.00304002/step Wall: 1791.57, 0.00304002/step, 3.71845 hours remaining, 207.078125 MB of memory in use. ENERGY: 596600 780.7259 2093.4557 1912.2823 106.9711 -206223.7700 17639.4487 0.0000 0.0000 34272.6612 -149418.2251 299.3117 -183690.8863 -149318.5552 298.8407 -55.2652 -25.9338 557908.5694 -2.0211 -2.1173 PRESSURE: 596800 -210.681 -93.9776 -46.1546 -93.9774 -102.066 -151.957 -46.154 -151.957 -138.95 GPRESSURE: 596800 -238.013 -145.445 -37.5225 50.6848 -45.4751 -117.848 -16.06 -166.315 -77.1838 PRESSAVG: 596800 101.738 16.5 -18.4431 16.5 -24.6923 -6.11621 -18.4432 -6.1162 -64.8596 GPRESSAVG: 596800 102.973 15.7743 -18.4824 17.5056 -27.088 -7.14146 -16.711 -5.25067 -64.2473 TIMING: 596800 CPU: 1792.18, 0.00304104/step Wall: 1792.18, 0.00304104/step, 3.71953 hours remaining, 207.078125 MB of memory in use. ENERGY: 596800 786.8244 2102.7617 1935.5162 101.4487 -206501.1955 17678.8496 0.0000 0.0000 34463.7697 -149432.0251 300.9807 -183895.7949 -149337.8474 299.5494 -150.5653 -120.2239 557332.6397 4.0622 3.8792 PRESSURE: 597000 -156.642 115.049 -101.848 115.048 -189.931 -84.3822 -101.848 -84.3815 159.459 GPRESSURE: 597000 -144.927 90.6811 -99.4809 80.1118 -167.324 -141.043 -100.766 -34.4366 217.779 PRESSAVG: 597000 77.3687 33.0623 -48.6129 33.0624 -71.2277 -23.9409 -48.6128 -23.941 -28.3511 GPRESSAVG: 597000 76.9114 36.1382 -50.6376 31.4131 -69.7162 -23.3226 -48.9165 -22.8571 -29.3812 TIMING: 597000 CPU: 1792.77, 0.00299868/step Wall: 1792.77, 0.00299868/step, 3.66755 hours remaining, 207.078125 MB of memory in use. ENERGY: 597000 741.2057 2126.6818 1911.0033 119.6362 -206116.4513 17665.6507 0.0000 0.0000 34204.4678 -149347.8057 298.7161 -183552.2736 -149246.5779 298.7895 -62.3715 -31.4907 557480.2403 -7.4034 -7.3953 PRESSURE: 597200 4.83966 -49.5252 13.9359 -49.5243 93.3467 19.5687 13.9363 19.5684 60.9321 GPRESSURE: 597200 -17.3173 -37.4301 -10.0772 45.0254 146.26 63.6952 -48.1725 -3.98769 136.614 PRESSAVG: 597200 44.2277 25.1396 34.4955 25.1396 9.68435 -61.3563 34.4955 -61.3562 -25.8913 GPRESSAVG: 597200 44.6626 26.2228 35.8677 23.5275 9.53617 -60.698 33.7285 -62.419 -25.4324 TIMING: 597200 CPU: 1793.38, 0.00301366/step Wall: 1793.38, 0.00301366/step, 3.6857 hours remaining, 207.078125 MB of memory in use. ENERGY: 597200 744.8085 2104.5061 1924.2113 115.2066 -206223.4927 17968.3236 0.0000 0.0000 34087.5905 -149278.8460 297.6954 -183366.4365 -149189.6248 298.5861 53.0395 88.5186 557161.0947 9.3403 9.5888 PRESSURE: 597400 23.1667 -163.068 100.418 -163.067 -130.42 16.247 100.418 16.2474 127.372 GPRESSURE: 597400 105.634 -136.006 123.591 -271.502 -131.373 -68.0722 32.003 7.34207 137.682 PRESSAVG: 597400 -15.0876 49.9167 56.5295 49.9168 7.13832 -72.2086 56.5296 -72.2086 11.2269 GPRESSAVG: 597400 -16.404 46.9764 55.7757 52.5633 7.34409 -73.0943 56.5952 -73.7857 12.3159 TIMING: 597400 CPU: 1793.98, 0.00302276/step Wall: 1793.98, 0.00302276/step, 3.69667 hours remaining, 207.078125 MB of memory in use. ENERGY: 597400 744.5503 2054.1746 1902.3079 103.2936 -206280.8240 17916.0327 0.0000 0.0000 34164.2136 -149396.2513 298.3646 -183560.4649 -149306.9730 298.9518 6.7063 37.3142 557805.9699 1.0925 1.0853 PRESSURE: 597600 250.817 -58.2932 49.5764 -58.2923 -112.843 -31.899 49.5762 -31.9014 -36.4119 GPRESSURE: 597600 286.24 -22.0152 14.4605 -40.1727 -75.7623 -29.694 -12.2452 -12.3659 -12.6211 PRESSAVG: 597600 21.0486 -27.2579 39.7894 -27.2578 -21.5997 21.4742 39.7894 21.4742 -36.8017 GPRESSAVG: 597600 22.1755 -24.4973 38.9746 -28.8163 -21.8842 21.5551 40.4162 23.5827 -37.5965 TIMING: 597600 CPU: 1794.59, 0.00304402/step Wall: 1794.59, 0.00304402/step, 3.7225 hours remaining, 207.078125 MB of memory in use. ENERGY: 597600 723.9875 2092.4017 1930.3993 110.6106 -206181.2960 17841.5986 0.0000 0.0000 34252.3689 -149229.9293 299.1345 -183482.2982 -149137.8863 298.9529 33.8539 65.9521 557825.2434 -12.4509 -12.4351 PRESSURE: 597800 10.9909 -41.3218 -54.9797 -41.3215 -67.7017 -6.44431 -54.979 -6.44397 -325.875 GPRESSURE: 597800 64.2261 -15.0003 -21.2093 -103.932 -126.528 18.061 -42.9052 -28.25 -234.532 PRESSAVG: 597800 27.5148 -33.4321 56.7949 -33.4322 49.8377 4.19566 56.7949 4.19562 -77.2909 GPRESSAVG: 597800 27.4931 -34.8375 56.0144 -33.6154 49.4178 4.0734 56.4198 2.71639 -76.9229 TIMING: 597800 CPU: 1795.2, 0.00303698/step Wall: 1795.2, 0.00303698/step, 3.71372 hours remaining, 207.078125 MB of memory in use. ENERGY: 597800 757.8652 2114.9226 1922.2781 121.1526 -206153.6029 17673.3114 0.0000 0.0000 34205.6021 -149358.4709 298.7260 -183564.0730 -149259.4379 299.0301 -127.5287 -98.9446 557095.3197 0.0205 -0.0040 PRESSURE: 598000 -141.229 21.1358 2.8954 21.1361 -82.9397 -92.8842 2.89586 -92.8818 -288.579 GPRESSURE: 598000 -120.433 -28.6379 -68.2035 68.6636 -111.206 -132.056 12.7389 -64.6953 -187.531 PRESSAVG: 598000 18.2563 30.1937 56.3485 30.1937 27.2981 22.2373 56.3485 22.2372 -34.368 GPRESSAVG: 598000 20.0196 28.9269 57.8042 30.8259 27.0402 23.7918 56.5318 21.5596 -35.0766 TIMING: 598000 CPU: 1795.81, 0.00307314/step Wall: 1795.81, 0.00307314/step, 3.75777 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: 598000 717.5038 2105.9590 1940.9049 116.3113 -205949.2260 17476.6876 0.0000 0.0000 34129.0640 -149462.7953 298.0576 -183591.8594 -149367.5358 299.4677 -170.9158 -139.7237 558050.5336 3.7288 3.9944 PRESSURE: 598200 181.515 143.546 -26.9737 143.545 -32.4352 103.705 -26.9742 103.705 26.7192 GPRESSURE: 598200 143.225 198.343 -10.8186 65.0908 -26.5525 88.791 31.8674 156.692 139.849 PRESSAVG: 598200 -17.5559 31.504 7.91464 31.5041 -3.47954 -38.7072 7.91461 -38.7072 33.9043 GPRESSAVG: 598200 -18.8456 33.1644 7.46553 30.2503 -1.25671 -38.9895 9.06198 -38.2462 33.3827 TIMING: 598200 CPU: 1796.42, 0.00303197/step Wall: 1796.42, 0.00303197/step, 3.70726 hours remaining, 207.078125 MB of memory in use. ENERGY: 598200 772.5832 2113.6789 1939.6271 114.8572 -206530.6430 18038.0630 0.0000 0.0000 34190.6383 -149361.1952 298.5953 -183551.8336 -149265.2604 298.7848 58.5996 85.5070 558384.9011 4.2896 4.4268 PRESSURE: 598400 22.4503 46.8243 -81.0433 46.8245 45.3337 -27.1774 -81.0442 -27.1777 -149.888 GPRESSURE: 598400 62.1216 57.6525 -125.986 54.7879 46.2545 -40.6616 -73.9094 -44.9265 -100.718 PRESSAVG: 598400 22.5569 30.7148 -45.5974 30.7148 -25.3333 18.8995 -45.5973 18.8994 -6.73906 GPRESSAVG: 598400 23.3351 32.4464 -45.969 30.5729 -26.9391 19.0932 -47.5403 19.1169 -6.26165 TIMING: 598400 CPU: 1797.02, 0.00301967/step Wall: 1797.02, 0.00301967/step, 3.69205 hours remaining, 207.078125 MB of memory in use. ENERGY: 598400 728.4248 2081.3485 1943.3408 112.9501 -206161.3493 17901.1765 0.0000 0.0000 34064.0066 -149330.1019 297.4894 -183394.1085 -149223.4985 299.4941 -27.3680 2.5526 559107.3046 -3.1718 -3.2885 PRESSURE: 598600 -286.361 1.85248 -108.838 1.85356 -65.2081 -26.516 -108.837 -26.5141 -100.604 GPRESSURE: 598600 -307.065 31.3975 -126.704 -48.7369 32.9108 -16.5777 -90.3244 -103.569 -81.5717 PRESSAVG: 598600 32.7495 27.4229 -24.1815 27.4229 -6.07158 -51.3798 -24.1815 -51.3799 -43.009 GPRESSAVG: 598600 32.0161 25.9021 -24.3165 27.6096 -5.00369 -53.1065 -25.8581 -51.284 -43.5029 TIMING: 598600 CPU: 1797.63, 0.00303956/step Wall: 1797.63, 0.00303956/step, 3.71619 hours remaining, 207.078125 MB of memory in use. ENERGY: 598600 741.5161 2041.4940 1947.7702 117.4913 -206057.8293 17694.7604 0.0000 0.0000 34184.8437 -149329.9536 298.5447 -183514.7973 -149228.6041 298.3391 -150.7241 -118.5752 559123.8734 -5.4437 -5.4968 PRESSURE: 598800 59.2516 87.3268 52.578 87.3277 183.467 -17.1386 52.5781 -17.1387 109.105 GPRESSURE: 598800 52.3533 33.898 81.5223 72.2873 183.817 38.0208 69.2203 -8.807 213.131 PRESSAVG: 598800 -49.0075 31.9982 17.4224 31.9982 27.6869 -21.6323 17.4224 -21.6325 -1.11988 GPRESSAVG: 598800 -48.9558 31.649 16.9198 32.4874 25.9306 -20.9782 20.2572 -20.5067 0.141544 TIMING: 598800 CPU: 1798.23, 0.0030159/step Wall: 1798.23, 0.0030159/step, 3.68711 hours remaining, 207.078125 MB of memory in use. ENERGY: 598800 735.0590 2091.8331 1933.2690 106.4215 -206428.3465 18032.7109 0.0000 0.0000 34172.2864 -149356.7665 298.4351 -183529.0530 -149264.6725 298.6255 117.2744 149.7670 557258.7498 -7.4802 -7.6279 PRESSURE: 599000 -169.66 138.291 -42.2699 138.29 -97.5956 -176.985 -42.2709 -176.985 -473.952 GPRESSURE: 599000 -189.804 192.171 -1.01512 44.3039 -23.5732 -150.996 30.7277 -169.972 -442.543 PRESSAVG: 599000 -13.9427 15.4213 -18.8852 15.4213 24.0284 -60.7274 -18.8851 -60.7274 2.87837 GPRESSAVG: 599000 -14.6068 17.477 -15.271 15.6183 26.098 -59.0089 -22.1333 -62.5415 1.11884 TIMING: 599000 CPU: 1798.84, 0.00301756/step Wall: 1798.84, 0.00301756/step, 3.68897 hours remaining, 207.078125 MB of memory in use. ENERGY: 599000 772.3380 2083.8424 1954.9895 105.4322 -206234.5195 17645.3310 0.0000 0.0000 34344.5568 -149328.0296 299.9396 -183672.5864 -149235.8269 299.0668 -247.0692 -218.6400 557538.8531 4.3214 4.2033 PRESSURE: 599200 -189.437 20.2629 -66.2318 20.2628 -401.801 -83.7907 -66.2322 -83.79 25.3772 GPRESSURE: 599200 -208.55 47.7743 -164.588 -44.4274 -342.536 -25.0265 -27.1521 -152.582 72.6897 PRESSAVG: 599200 -12.2931 41.1797 -20.7725 41.1799 64.7019 -59.456 -20.7725 -59.4559 -47.9356 GPRESSAVG: 599200 -11.2031 39.0705 -23.7794 40.8211 63.1969 -60.8731 -17.7066 -60.4288 -46.726 TIMING: 599200 CPU: 1799.45, 0.00304063/step Wall: 1799.45, 0.00304063/step, 3.71701 hours remaining, 207.078125 MB of memory in use. ENERGY: 599200 728.3908 2073.6236 1936.0550 102.3969 -206014.5582 17503.0911 0.0000 0.0000 34403.4033 -149267.5975 300.4535 -183671.0008 -149167.0119 299.2115 -188.6204 -159.4657 559042.4013 1.4911 1.7560 PRESSURE: 599400 -111.015 -135.445 62.3753 -135.445 118.157 -188.026 62.3748 -188.026 118.646 GPRESSURE: 599400 -93.4479 -136.675 49.1212 -129.124 165.053 -141.813 105.112 -165.256 163.033 PRESSAVG: 599400 0.738978 16.9163 -33.3376 16.9163 47.871 -28.4071 -33.3376 -28.4071 -40.0494 GPRESSAVG: 599400 0.305092 17.8319 -33.3344 17.3673 49.3337 -28.6194 -33.7579 -26.3362 -40.1669 TIMING: 599400 CPU: 1800.05, 0.00300429/step Wall: 1800.05, 0.00300429/step, 3.67241 hours remaining, 207.078125 MB of memory in use. ENERGY: 599400 749.6818 2084.5796 1914.4684 108.4006 -206380.8997 18025.6914 0.0000 0.0000 34403.2766 -149094.8013 300.4524 -183498.0779 -149001.7102 299.6805 41.9293 78.2127 558195.7550 2.8535 3.1573 PRESSURE: 599600 356.609 -63.3052 -6.03134 -63.3036 160.002 78.7233 -6.03156 78.7233 -1.64486 GPRESSURE: 599600 369.355 -91.5924 -24.7515 -42.8559 165.635 125.864 51.9451 103.399 76.7111 PRESSAVG: 599600 11.9487 -19.2385 33.1533 -19.2383 15.3981 30.3823 33.1535 30.3824 -18.6367 GPRESSAVG: 599600 10.9848 -18.3477 34.741 -18.8194 15.8842 30.9663 32.4367 29.6022 -18.6225 TIMING: 599600 CPU: 1800.65, 0.00301134/step Wall: 1800.65, 0.00301134/step, 3.68087 hours remaining, 207.078125 MB of memory in use. ENERGY: 599600 703.6922 2126.8475 1975.6609 135.8744 -206472.3989 18049.4396 0.0000 0.0000 34351.3177 -149129.5667 299.9986 -183480.8844 -149032.2509 299.6784 171.6554 203.9003 557510.9446 2.9033 2.7488 PRESSURE: 599800 -314.826 25.4295 -32.4648 25.4299 30.6041 -44.9091 -32.4651 -44.9076 -172.833 GPRESSURE: 599800 -219.769 27.5921 -16.9392 34.8186 34.7782 54.3218 14.0239 -122.953 -171.593 PRESSAVG: 599800 -34.0795 -45.4209 52.5417 -45.4209 59.9582 41.6081 52.5416 41.608 -5.49423 GPRESSAVG: 599800 -31.7483 -47.211 53.1078 -43.6644 58.4896 40.5232 55.2436 41.8378 -6.57067 TIMING: 599800 CPU: 1801.25, 0.00301378/step Wall: 1801.25, 0.00301378/step, 3.68368 hours remaining, 207.078125 MB of memory in use. ENERGY: 599800 781.8380 2113.3218 1954.3191 133.2017 -206194.9258 17732.7385 0.0000 0.0000 34219.4547 -149260.0520 298.8470 -183479.5067 -149159.2443 299.6526 -152.3517 -118.8612 558911.2851 6.7948 6.7236 PRESSURE: 600000 -241.58 -5.45607 -64.9966 -5.45704 -358.637 35.0956 -64.9963 35.0967 -325.904 GPRESSURE: 600000 -204.824 12.1468 -59.7205 -15.3083 -272.345 39.5406 -70.7309 56.9193 -352.372 PRESSAVG: 600000 -61.6436 -30.2661 53.6335 -30.2661 45.5381 -23.2519 53.6336 -23.2518 -10.056 GPRESSAVG: 600000 -63.4613 -29.4066 53.3469 -31.9293 46.4228 -24.3187 51.2838 -22.7414 -8.50789 TIMING: 600000 CPU: 1801.85, 0.0030021/step Wall: 1801.85, 0.0030021/step, 3.66923 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: 600000 815.4639 2092.2159 1950.4311 120.3259 -206336.7057 17666.3992 0.0000 0.0000 34140.6450 -149551.2248 298.1587 -183691.8697 -149451.5381 299.0263 -308.7070 -276.5138 558791.7816 -8.7205 -8.5155 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 600000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 600000 WRITING COORDINATES TO RESTART FILE AT STEP 600000 FINISHED WRITING RESTART COORDINATES The last position output (seq=600000) takes 0.010 seconds, 207.078 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 600200 -58.2959 -132.176 171.269 -132.176 181.051 0.667959 171.268 0.668397 119.997 GPRESSURE: 600200 -49.2577 -120.694 290.401 -155.344 218.271 38.2038 48.2685 52.9399 183.254 PRESSAVG: 600200 1.25861 5.59534 29.2155 5.59534 -5.23957 -37.6938 29.2155 -37.6937 -14.7137 GPRESSAVG: 600200 1.95108 5.71952 29.53 3.55914 -4.38025 -36.9616 28.336 -36.1811 -16.1185 TIMING: 600200 CPU: 1802.47, 0.00310232/step Wall: 1802.47, 0.00310232/step, 3.79156 hours remaining, 207.203125 MB of memory in use. ENERGY: 600200 760.1110 2075.8318 1936.2528 121.9739 -206725.4638 18169.8951 0.0000 0.0000 34062.9092 -149598.4900 297.4799 -183661.3991 -149504.4037 298.6327 80.9175 117.4225 556107.0983 -6.2316 -6.1826 LDB: ============= START OF LOAD BALANCING ============== 1805.99 LDB: ============== END OF LOAD BALANCING =============== 1805.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1805.99 LDB: ============= START OF LOAD BALANCING ============== 1806.3 LDB: Largest compute 4794 load 0.028643 is 24.3% of average load 0.117924 LDB: Average compute 0.001733 is 1.5% of average load 0.117924 LDB: TIME 1806.3 LOAD: AVG 0.117924 MAX 0.211125 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.906 MB LDB: TIME 1806.3 LOAD: AVG 0.117924 MAX 0.211125 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.949 MB LDB: TIME 1806.3 LOAD: AVG 0.117924 MAX 0.211125 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.949 MB LDB: ============== END OF LOAD BALANCING =============== 1806.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1806.31 PRESSURE: 600400 -44.8669 58.7024 -20.5016 58.7015 107.451 172.911 -20.5011 172.912 105.171 GPRESSURE: 600400 -15.6206 144.761 -61.8319 11.766 148.901 327.479 48.6157 74.9023 132.693 PRESSAVG: 600400 -27.7579 -9.86983 18.846 -9.86981 3.25242 -56.7746 18.8459 -56.7746 7.97855 GPRESSAVG: 600400 -27.6034 -10.6779 18.3606 -7.75904 2.79309 -53.8028 18.225 -60.8205 8.20318 TIMING: 600400 CPU: 1803.09, 0.00308107/step Wall: 1803.09, 0.00308107/step, 3.76541 hours remaining, 207.250000 MB of memory in use. ENERGY: 600400 736.2576 2078.7703 1923.7705 117.8439 -206496.3618 17918.4054 0.0000 0.0000 34142.1477 -149579.1665 298.1719 -183721.3142 -149479.4739 297.7667 55.9186 88.6578 557060.9725 -5.5090 -5.5357 PRESSURE: 600600 38.9286 -44.2703 -28.6421 -44.2715 -254.484 -181.785 -28.6411 -181.785 -40.2462 GPRESSURE: 600600 31.8487 -18.6077 67.8316 -79.5306 -170.225 -220.829 -65.5516 -203.157 -23.0662 PRESSAVG: 600600 49.7315 -48.5428 -25.8 -48.5428 -60.4829 -51.8405 -25.8 -51.8405 3.3095 GPRESSAVG: 600600 50.1824 -46.52 -25.6377 -48.022 -61.7091 -55.2431 -25.1804 -49.3659 3.85886 TIMING: 600600 CPU: 1803.69, 0.00302281/step Wall: 1803.69, 0.00302281/step, 3.69404 hours remaining, 207.320312 MB of memory in use. ENERGY: 600600 756.5157 2112.4583 1904.5045 91.5989 -206241.0457 17720.2733 0.0000 0.0000 34071.4046 -149584.2904 297.5541 -183655.6950 -149488.6953 298.1699 -85.2673 -53.8142 558360.4198 -2.4806 -2.5560 PRESSURE: 600800 -197.742 -104.296 -6.1325 -104.296 50.1462 -2.48455 -6.13276 -2.48496 -150.49 GPRESSURE: 600800 -150.896 -154.799 -7.26802 -42.2212 78.4241 54.242 105.952 -17.4911 -110.26 PRESSAVG: 600800 56.0991 -54.5123 -39.0737 -54.5124 18.2273 18.7169 -39.0738 18.7169 -42.1862 GPRESSAVG: 600800 55.0799 -56.1968 -40.7737 -55.6695 19.4661 21.4308 -37.6666 17.2905 -42.5304 TIMING: 600800 CPU: 1804.3, 0.00301585/step Wall: 1804.3, 0.00301585/step, 3.68537 hours remaining, 207.320312 MB of memory in use. ENERGY: 600800 746.5813 2107.4199 1921.6415 89.4959 -206380.5327 17861.8106 0.0000 0.0000 34199.8823 -149453.7012 298.6761 -183653.5834 -149363.4225 297.9518 -99.3618 -60.9106 558311.7801 10.7134 10.6719 PRESSURE: 601000 6.29242 90.4896 -49.4806 90.4896 78.7533 -42.7941 -49.4797 -42.7937 98.968 GPRESSURE: 601000 46.7874 63.9346 -97.0066 121.69 90.2127 -10.5632 -34.5875 -90.8138 141.968 PRESSAVG: 601000 -25.9621 8.70622 3.30147 8.70622 -31.112 -4.31214 3.30143 -4.31211 59.2016 GPRESSAVG: 601000 -25.6891 10.221 3.15945 10.6 -31.2201 -5.42964 2.12317 -5.37247 59.5478 TIMING: 601000 CPU: 1804.9, 0.00302096/step Wall: 1804.9, 0.00302096/step, 3.69144 hours remaining, 207.320312 MB of memory in use. ENERGY: 601000 710.2910 2107.2522 1941.0176 115.0402 -206427.7930 17895.2414 0.0000 0.0000 34283.7900 -149375.1606 299.4089 -183658.9506 -149279.8428 298.3871 61.3379 92.9892 557868.7346 0.7092 0.8795 PRESSURE: 601200 -27.7701 2.37855 -103.216 2.37999 87.686 -177.088 -103.215 -177.089 195.538 GPRESSURE: 601200 15.8857 4.77996 -77.6968 -10.153 133.256 -226.754 -80.6201 -40.4882 205.578 PRESSAVG: 601200 -10.4137 17.1653 -21.4649 17.1653 32.9731 27.9438 -21.4647 27.9438 -13.8423 GPRESSAVG: 601200 -9.94012 18.0196 -20.2043 16.1413 32.0453 25.9162 -20.8735 32.0796 -13.1432 TIMING: 601200 CPU: 1805.51, 0.00303246/step Wall: 1805.51, 0.00303246/step, 3.70533 hours remaining, 207.320312 MB of memory in use. ENERGY: 601200 782.7962 2054.0201 1932.3495 100.0821 -206553.5556 18012.2154 0.0000 0.0000 34364.5021 -149307.5901 300.1137 -183672.0923 -149211.3545 298.2052 85.1512 118.2397 557471.5786 2.9057 2.9873 PRESSURE: 601400 -21.3191 -169.8 -96.2232 -169.799 -7.56499 42.9939 -96.2219 42.9938 112.282 GPRESSURE: 601400 14.8673 -163.41 -86.0204 -180.796 38.026 69.2294 -146.195 -9.61399 124.616 PRESSAVG: 601400 -30.489 22.398 -7.50849 22.398 -9.85109 15.8842 -7.50854 15.8842 81.9044 GPRESSAVG: 601400 -29.6515 20.1999 -7.43076 22.7302 -9.12508 17.4567 -7.71413 14.3652 80.1641 TIMING: 601400 CPU: 1806.11, 0.00302208/step Wall: 1806.11, 0.00302208/step, 3.69248 hours remaining, 207.320312 MB of memory in use. ENERGY: 601400 709.3494 2088.9983 1915.6659 108.5937 -206357.3908 17905.2422 0.0000 0.0000 34204.1305 -149425.4107 298.7132 -183629.5412 -149322.1976 298.9860 27.7994 59.1699 558237.6621 13.8548 13.7958 PRESSURE: 601600 -322.665 36.8407 -170.877 36.8417 -84.7682 -127.729 -170.877 -127.73 -184.831 GPRESSURE: 601600 -262.36 60.0898 -111.012 104.14 -55.6035 -84.6483 -114.703 -159.24 -177.249 PRESSAVG: 601600 -27.9143 -19.8555 42.232 -19.8556 22.3107 18.757 42.2319 18.757 21.2814 GPRESSAVG: 601600 -28.6117 -20.7396 43.1215 -18.8194 21.409 19.3599 42.4805 17.0951 23.4302 TIMING: 601600 CPU: 1806.71, 0.00299136/step Wall: 1806.71, 0.00299136/step, 3.65478 hours remaining, 207.320312 MB of memory in use. ENERGY: 601600 765.9481 2098.7310 1937.2435 102.2958 -206150.5271 17678.3757 0.0000 0.0000 34066.8644 -149501.0686 297.5144 -183567.9330 -149408.6747 298.9611 -197.4211 -165.0706 558801.4921 5.2259 5.4091 PRESSURE: 601800 28.943 79.4176 -162.255 79.4183 304.733 123.366 -162.255 123.366 107.727 GPRESSURE: 601800 134.632 65.6004 -91.9488 117.327 317.331 123.603 -183.859 102.635 102 PRESSAVG: 601800 -1.49693 -38.7875 7.25816 -38.7875 15.0685 10.1878 7.25817 10.1878 -54.7503 GPRESSAVG: 601800 -0.775668 -36.8398 6.22728 -43.0815 15.0367 10.6239 7.01784 9.17884 -55.1727 TIMING: 601800 CPU: 1807.31, 0.00301218/step Wall: 1807.31, 0.00301218/step, 3.68005 hours remaining, 207.320312 MB of memory in use. ENERGY: 601800 699.0446 2113.4267 1944.8144 101.6295 -206966.0216 18282.6058 0.0000 0.0000 34198.3005 -149626.2002 298.6623 -183824.5007 -149525.9652 297.9715 147.1346 184.6543 557247.5564 -13.7262 -13.6372 PRESSURE: 602000 7.9088 -128.671 -8.54716 -128.671 -293.009 -86.4901 -8.54672 -86.4912 -133.566 GPRESSURE: 602000 50.481 -132.769 -20.8504 -121.888 -223.775 -33.0431 11.5173 -74.1042 -146.063 PRESSAVG: 602000 22.2234 0.558991 2.12955 0.558999 60.816 -7.93911 2.12951 -7.93918 -65.4974 GPRESSAVG: 602000 20.9576 -0.359089 2.98975 3.34098 60.0573 -9.03057 3.25662 -5.68297 -64.0933 TIMING: 602000 CPU: 1807.92, 0.00301655/step Wall: 1807.92, 0.00301655/step, 3.68522 hours remaining, 207.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 602000 781.7619 2081.6715 1924.2023 114.2791 -206420.8443 17736.3100 0.0000 0.0000 34201.7509 -149580.8686 298.6924 -183782.6194 -149490.7172 298.4907 -139.5554 -106.4523 556814.5342 5.8473 5.6406 PRESSURE: 602200 -337.148 126.92 -39.6214 126.92 -215.477 -45.0561 -39.6194 -45.0545 -212.373 GPRESSURE: 602200 -271.918 103.315 -5.5906 113.11 -167.496 -92.123 21.4901 -42.9992 -232.725 PRESSAVG: 602200 0.266639 2.02743 -0.795612 2.02745 -67.7739 -3.93578 -0.795623 -3.93583 32.4478 GPRESSAVG: 602200 0.643698 4.06319 -2.66258 1.72048 -68.0053 -4.19705 0.734095 -4.85959 31.8865 TIMING: 602200 CPU: 1808.52, 0.00299545/step Wall: 1808.52, 0.00299545/step, 3.65928 hours remaining, 207.320312 MB of memory in use. ENERGY: 602200 738.5996 2133.7676 1929.8573 119.4643 -205689.4400 17530.9878 0.0000 0.0000 33778.2636 -149458.4997 294.9940 -183236.7633 -149361.6104 298.2316 -254.9991 -224.0465 559263.3776 -11.6865 -11.8250 PRESSURE: 602400 4.40316 64.0094 8.43713 64.0092 -54.7468 81.2684 8.43677 81.2679 322.5 GPRESSURE: 602400 71.9908 74.1679 2.47644 79.0021 -64.6896 98.2663 -76.6613 66.5639 381.251 PRESSAVG: 602400 -5.69156 18.5345 -21.0882 18.5344 -43.4382 4.19473 -21.0882 4.19479 67.0318 GPRESSAVG: 602400 -5.36732 16.734 -19.3666 19.5604 -43.1953 7.13119 -23.8017 2.88559 66.2717 TIMING: 602400 CPU: 1809.12, 0.00301053/step Wall: 1809.12, 0.00301053/step, 3.67753 hours remaining, 207.320312 MB of memory in use. ENERGY: 602400 718.6323 2103.4474 1948.1615 105.9441 -206651.8779 18040.5522 0.0000 0.0000 34131.8935 -149603.2469 298.0823 -183735.1404 -149512.6852 298.5000 90.7190 129.5173 557858.8290 5.9674 5.9030 PRESSURE: 602600 -92.8463 112.415 -59.8912 112.416 -47.4617 -37.7242 -59.8911 -37.7245 132.05 GPRESSURE: 602600 -37.6492 96.0956 -23.9553 171.752 15.4775 -78.6224 -113.633 -47.7713 110.772 PRESSAVG: 602600 29.1815 20.6333 -20.8197 20.6334 -68.7005 2.08567 -20.8196 2.08563 48.9475 GPRESSAVG: 602600 28.9976 20.7782 -21.93 21.1831 -68.5561 -0.0142818 -19.0319 2.55809 48.9896 TIMING: 602600 CPU: 1809.72, 0.00299214/step Wall: 1809.72, 0.00299214/step, 3.6549 hours remaining, 207.320312 MB of memory in use. ENERGY: 602600 742.3535 2068.0799 1945.7897 112.0366 -206209.8296 17848.8265 0.0000 0.0000 33990.6245 -149502.1189 296.8486 -183492.7435 -149404.9293 298.7331 -2.7527 29.5336 557445.2396 3.1428 3.1437 PRESSURE: 602800 -31.6483 -31.045 -51.4789 -31.0448 12.5531 -85.0176 -51.4795 -85.017 3.27968 GPRESSURE: 602800 -21.4739 43.5513 -72.0699 -0.196379 47.338 -167.105 -48.3514 -72.7914 55.5932 PRESSAVG: 602800 -12.1412 1.36495 -48.4039 1.36496 3.74807 23.039 -48.4038 23.0389 12.1298 GPRESSAVG: 602800 -11.7326 2.11421 -46.0428 0.414267 2.61277 20.8365 -50.4261 22.5657 12.121 TIMING: 602800 CPU: 1810.32, 0.00300769/step Wall: 1810.32, 0.00300769/step, 3.67373 hours remaining, 207.320312 MB of memory in use. ENERGY: 602800 759.2161 2096.8472 1909.1225 120.1335 -206646.4452 17896.6086 0.0000 0.0000 34390.0067 -149474.5107 300.3365 -183864.5174 -149377.4954 298.6839 -5.2718 27.1524 556850.4445 1.2456 1.0004 PRESSURE: 603000 212.779 292.697 -57.7744 292.698 -57.3052 -146.089 -57.7743 -146.089 -126.219 GPRESSURE: 603000 258.162 238.651 -74.4654 242.468 -44.6783 -95.8851 71.8202 -184.891 -73.6168 PRESSAVG: 603000 -56.3858 21.1791 6.02517 21.1791 2.82436 28.0195 6.02511 28.0195 10.6185 GPRESSAVG: 603000 -56.5076 18.8597 2.99513 22.0452 3.13438 30.0167 8.70312 27.9761 10.2757 TIMING: 603000 CPU: 1810.91, 0.00297002/step Wall: 1810.91, 0.00297002/step, 3.62754 hours remaining, 207.320312 MB of memory in use. ENERGY: 603000 728.7471 2118.9062 1928.5908 114.3897 -206422.7498 18006.9678 0.0000 0.0000 34251.8952 -149273.2531 299.1303 -183525.1483 -149178.5098 299.1933 9.7515 46.6223 557852.5543 -14.3143 -14.3658 PRESSURE: 603200 76.7484 187.867 46.9342 187.867 -36.3944 199.705 46.9352 199.704 -214.785 GPRESSURE: 603200 111.371 160.24 114.965 203.598 -22.2038 145.684 19.6904 245.493 -179.931 PRESSAVG: 603200 73.9329 17.3729 -0.656915 17.373 -44.4776 22.4552 -0.656831 22.4552 -51.85 GPRESSAVG: 603200 73.9001 19.8528 0.656162 15.1832 -43.5166 22.4551 -0.503163 22.5527 -52.7117 TIMING: 603200 CPU: 1811.51, 0.00298354/step Wall: 1811.51, 0.00298354/step, 3.64389 hours remaining, 207.320312 MB of memory in use. ENERGY: 603200 721.9628 2060.3816 1947.6620 100.7950 -206025.1758 17633.2998 0.0000 0.0000 34256.3162 -149304.7584 299.1689 -183561.0746 -149208.6177 299.0202 -58.1438 -30.2548 557819.5759 -7.4649 -7.4428 PRESSURE: 603400 202.434 141.501 129.06 141.501 4.84939 67.7992 129.06 67.7982 -209.477 GPRESSURE: 603400 174.034 106.485 64.6804 130.748 74.779 23.8516 155.755 18.9761 -170.241 PRESSAVG: 603400 62.5918 80.8099 14.7772 80.8098 -5.09644 -30.2773 14.7773 -30.2772 -38.3231 GPRESSAVG: 603400 61.9182 79.6707 15.866 82.0209 -5.25141 -31.9676 11.246 -28.7689 -37.563 TIMING: 603400 CPU: 1812.1, 0.00296353/step Wall: 1812.1, 0.00296353/step, 3.61929 hours remaining, 207.320312 MB of memory in use. ENERGY: 603400 728.9409 2080.6887 1920.9650 104.7460 -205946.9644 17783.2784 0.0000 0.0000 34115.6900 -149212.6553 297.9408 -183328.3453 -149118.1498 299.7630 -0.7311 26.1907 558147.7241 6.3907 6.3679 PRESSURE: 603600 30.1121 -51.7568 -48.6659 -51.7576 205.518 -17.3178 -48.665 -17.3166 -22.53 GPRESSURE: 603600 25.3719 -37.2632 -75.1576 -23.5773 263.217 63.1169 -37.8646 58.3867 13.1516 PRESSAVG: 603600 48.07 -1.90402 64.0043 -1.90409 27.8799 28.486 64.0043 28.4861 -104.723 GPRESSAVG: 603600 49.1418 0.028283 63.8026 -2.89478 27.3032 29.6287 64.6998 27.094 -105.684 TIMING: 603600 CPU: 1812.7, 0.00299527/step Wall: 1812.7, 0.00299527/step, 3.65789 hours remaining, 207.320312 MB of memory in use. ENERGY: 603600 728.0913 2125.4955 1934.8510 107.0124 -206047.5332 17670.7249 0.0000 0.0000 34295.8451 -149185.5132 299.5141 -183481.3583 -149092.1643 298.8704 71.0333 100.5801 556692.2489 -9.5910 -9.7465 PRESSURE: 603800 58.3212 -5.81904 -4.08978 -5.81993 389.202 151.816 -4.0899 151.817 79.5923 GPRESSURE: 603800 72.0923 2.09345 47.1897 30.0215 419.269 160.601 21.9146 160.189 128.807 PRESSAVG: 603800 13.4093 -34.645 15.3808 -34.6451 113.912 64.2694 15.3807 64.2693 -88.0338 GPRESSAVG: 603800 10.8876 -36.013 14.6286 -35.0416 115.297 65.2918 14.5509 64.5888 -87.4564 TIMING: 603800 CPU: 1813.3, 0.0029982/step Wall: 1813.3, 0.0029982/step, 3.6613 hours remaining, 207.320312 MB of memory in use. ENERGY: 603800 721.6385 2081.4792 1961.7679 129.0688 -206653.8634 18218.0593 0.0000 0.0000 34317.4377 -149224.4121 299.7027 -183541.8498 -149129.9038 299.5620 175.7051 206.7228 557623.4843 13.0959 12.9094 PRESSURE: 604000 132.47 87.879 61.3418 87.8796 -38.5291 45.7273 61.3417 45.7272 -115.855 GPRESSURE: 604000 155.632 18.7 45.6531 17.4533 -13.1605 1.06522 14.0281 -17.2257 -65.549 PRESSAVG: 604000 73.9681 -14.2963 24.3833 -14.2962 35.7144 6.20395 24.3833 6.20389 -84.8115 GPRESSAVG: 604000 75.3656 -12.9534 23.1076 -14.0493 34.5779 5.5475 25.6086 4.82759 -84.9101 TIMING: 604000 CPU: 1813.9, 0.00298131/step Wall: 1813.9, 0.00298131/step, 3.64051 hours remaining, 207.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 604000 737.5248 2081.9819 1958.0401 106.7487 -206456.1096 17831.1657 0.0000 0.0000 34359.0357 -149381.6127 300.0660 -183740.6484 -149291.0640 298.3060 -7.3048 25.6409 557952.0093 8.2903 8.3445 PRESSURE: 604200 -235.9 -22.194 -41.5318 -22.1934 -217.628 49.4412 -41.5326 49.4426 -404.155 GPRESSURE: 604200 -238.599 -21.2697 -58.2093 -31.3374 -224.984 101.585 -115.013 41.8973 -300.169 PRESSAVG: 604200 34.1972 28.4081 26.0248 28.4081 3.6355 7.95651 26.0248 7.95643 0.516264 GPRESSAVG: 604200 34.7327 26.9406 26.4364 30.3097 4.24502 8.14789 27.8491 9.85025 -0.306855 TIMING: 604200 CPU: 1814.5, 0.00301381/step Wall: 1814.5, 0.00301381/step, 3.68003 hours remaining, 207.320312 MB of memory in use. ENERGY: 604200 755.8680 2094.7861 1966.0751 119.6716 -206028.8478 17572.2354 0.0000 0.0000 34234.7685 -149285.4431 298.9807 -183520.2116 -149187.2734 299.1103 -285.8946 -254.5841 559447.5936 12.7830 12.8903 LDB: ============= START OF LOAD BALANCING ============== 1818.02 LDB: ============== END OF LOAD BALANCING =============== 1818.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1818.02 LDB: ============= START OF LOAD BALANCING ============== 1818.32 LDB: Largest compute 4794 load 0.027160 is 23.0% of average load 0.117938 LDB: Average compute 0.001734 is 1.5% of average load 0.117938 LDB: TIME 1818.32 LOAD: AVG 0.117938 MAX 0.211637 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.336 MB LDB: TIME 1818.32 LOAD: AVG 0.117938 MAX 0.211637 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.539 MB LDB: TIME 1818.33 LOAD: AVG 0.117938 MAX 0.211637 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.539 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1818.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1818.33 PRESSURE: 604400 243.332 50.5949 155.668 50.5932 106.953 159.184 155.669 159.185 251.918 GPRESSURE: 604400 285.551 -21.7043 117.81 107.219 126.684 164.191 182.129 243.024 292.584 PRESSAVG: 604400 15.9364 4.4092 9.55233 4.4092 -2.42076 40.2858 9.55222 40.2858 -69.5988 GPRESSAVG: 604400 15.6342 4.55421 9.61367 4.33758 -3.09946 39.2092 8.88588 38.9959 -68.2829 TIMING: 604400 CPU: 1815.11, 0.00307953/step Wall: 1815.11, 0.00307953/step, 3.7601 hours remaining, 207.761719 MB of memory in use. ENERGY: 604400 704.5560 2067.3752 1927.4747 113.5866 -206775.7187 18365.2932 0.0000 0.0000 34233.4955 -149363.9375 298.9696 -183597.4330 -149263.9812 298.9775 200.7346 234.9399 557685.3116 -18.6944 -18.5827 PRESSURE: 604600 59.2723 -241.489 -193.049 -241.489 -189.66 -33.7222 -193.048 -33.7207 29.0386 GPRESSURE: 604600 116.49 -185.331 -184.294 -273.153 -186.602 -4.53558 -168.343 -34.9085 66.7886 PRESSAVG: 604600 -25.3448 -60.1127 -3.81775 -60.1128 5.92252 29.7204 -3.81769 29.7204 35.0352 GPRESSAVG: 604600 -25.0111 -60.1531 -2.77683 -62.0219 5.42865 29.9177 -4.40666 31.724 34.302 TIMING: 604600 CPU: 1815.72, 0.00302556/step Wall: 1815.72, 0.00302556/step, 3.69404 hours remaining, 207.964844 MB of memory in use. ENERGY: 604600 730.9391 2081.7815 1958.3187 105.0022 -206372.8894 17846.1494 0.0000 0.0000 34143.3777 -149507.3208 298.1826 -183650.6985 -149409.9029 298.4738 -33.7830 -1.1077 558909.3166 5.2043 4.9065 PRESSURE: 604800 87.328 -90.9153 -211.769 -90.9146 -287.675 -4.24534 -211.769 -4.24584 -155.116 GPRESSURE: 604800 99.1486 -76.0607 -183.758 -70.6164 -252.606 38.0897 -259.677 -19.6894 -94.2457 PRESSAVG: 604800 61.5666 -46.8656 -42.4858 -46.8657 -40.4471 -2.72932 -42.4857 -2.72937 -25.2877 GPRESSAVG: 604800 60.6001 -47.2443 -42.4688 -43.7885 -39.3464 -0.27226 -41.4545 -3.95057 -24.9393 TIMING: 604800 CPU: 1816.32, 0.00299441/step Wall: 1816.32, 0.00299441/step, 3.65584 hours remaining, 207.964844 MB of memory in use. ENERGY: 604800 773.5115 2132.3419 1965.3050 120.8596 -206712.4579 17861.2522 0.0000 0.0000 34154.2832 -149704.9045 298.2779 -183859.1878 -149613.1942 298.4118 -118.4874 -82.5678 557664.7316 -1.3894 -1.2286 PRESSURE: 605000 78.4598 -205.985 -103.317 -205.985 156.126 -39.7862 -103.318 -39.7875 242.634 GPRESSURE: 605000 119.742 -147.139 -53.8047 -217.618 204.752 -73.3742 -49.8981 -27.8225 247.305 PRESSAVG: 605000 6.1255 72.1974 -11.4289 72.1975 17.9728 7.03394 -11.4289 7.03403 12.5226 GPRESSAVG: 605000 7.00766 71.8759 -9.96497 69.594 16.9951 5.74488 -12.8584 8.5747 12.0093 TIMING: 605000 CPU: 1816.92, 0.00301163/step Wall: 1816.92, 0.00301163/step, 3.6767 hours remaining, 207.964844 MB of memory in use. ENERGY: 605000 749.5714 2159.8303 1940.8071 109.4929 -207228.4692 18271.3183 0.0000 0.0000 34266.9672 -149730.4819 299.2619 -183997.4491 -149641.2241 298.3118 159.0734 190.5995 555628.0361 12.2069 12.0040 PRESSURE: 605200 -299.736 122.849 81.9224 122.848 -122.571 -39.7148 81.9211 -39.7161 14.9613 GPRESSURE: 605200 -287.544 133.004 77.4039 9.89023 -86.7748 -30.5631 146.021 -77.9525 58.1796 PRESSAVG: 605200 -79.9021 -43.6416 39.329 -43.6416 71.938 31.1796 39.329 31.1796 -4.04973 GPRESSAVG: 605200 -79.3144 -44.3719 39.3763 -43.4038 70.3551 28.593 40.3283 30.704 -3.47624 TIMING: 605200 CPU: 1817.53, 0.0030321/step Wall: 1817.53, 0.0030321/step, 3.70153 hours remaining, 207.964844 MB of memory in use. ENERGY: 605200 773.3796 2093.0406 1953.4550 108.7900 -206320.3859 17711.5852 0.0000 0.0000 34112.6282 -149567.5074 297.9141 -183680.1356 -149465.9783 298.3508 -135.7820 -105.3796 557760.8665 -4.0046 -4.1452 PRESSURE: 605400 -342.514 -6.72234 56.9569 -6.72096 40.2318 64.2499 56.9561 64.249 -25.9986 GPRESSURE: 605400 -245.124 -38.076 120.698 50.9645 47.5924 91.481 62.4012 92.102 -48.7607 PRESSAVG: 605400 -48.5603 -29.0552 18.8662 -29.0552 -27.5709 -27.841 18.8662 -27.8409 21.8727 GPRESSAVG: 605400 -47.9833 -25.8704 17.626 -30.5565 -26.7257 -24.8629 17.3259 -29.2675 20.1745 TIMING: 605400 CPU: 1818.13, 0.00299523/step Wall: 1818.13, 0.00299523/step, 3.65635 hours remaining, 207.964844 MB of memory in use. ENERGY: 605400 747.5737 2162.7388 1916.6958 127.8683 -206371.6366 17595.7834 0.0000 0.0000 34090.9768 -149729.9998 297.7250 -183820.9766 -149634.5251 297.7066 -109.4270 -82.0973 556713.4883 -18.0862 -18.1782 PRESSURE: 605600 139.163 -110.895 -87.905 -110.894 -6.53286 -105.981 -87.9052 -105.981 -282.149 GPRESSURE: 605600 168.904 -174.485 -70.132 -59.9331 -17.2208 -20.7929 -144.674 -129.468 -206.761 PRESSAVG: 605600 -84.8453 -22.0678 23.213 -22.0679 125.115 -14.6406 23.2131 -14.6406 -16.3444 GPRESSAVG: 605600 -85.4999 -22.4781 22.3314 -21.2598 124.686 -14.4741 25.4271 -13.007 -15.3757 TIMING: 605600 CPU: 1818.73, 0.00301074/step Wall: 1818.73, 0.00301074/step, 3.67511 hours remaining, 207.964844 MB of memory in use. ENERGY: 605600 747.3019 2154.6844 1945.4696 114.1595 -206709.7506 17942.6468 0.0000 0.0000 34127.6570 -149677.8314 298.0453 -183805.4884 -149586.6248 298.3185 -49.8396 -18.3593 557690.7592 7.9750 7.9369 PRESSURE: 605800 219.583 -46.3627 57.1459 -46.3631 -31.2106 83.0785 57.1449 83.0774 -35.518 GPRESSURE: 605800 238.43 -70.7066 162.465 -58.2364 20.3562 -23.5673 -46.4613 92.72 -0.0669224 PRESSAVG: 605800 53.6356 -16.1271 11.8902 -16.127 -10.0478 9.21183 11.8903 9.21181 -73.2339 GPRESSAVG: 605800 53.5061 -15.7314 11.1441 -16.8343 -9.37042 8.43768 10.4849 7.62025 -73.08 TIMING: 605800 CPU: 1819.33, 0.00301352/step Wall: 1819.33, 0.00301352/step, 3.67834 hours remaining, 208.222656 MB of memory in use. ENERGY: 605800 727.0788 2170.4123 1935.8736 112.4842 -206399.1030 17917.7099 0.0000 0.0000 33871.1922 -149664.3521 295.8055 -183535.5442 -149569.2789 297.4480 50.9516 86.2398 557507.5590 -9.8820 -9.6481 PRESSURE: 606000 39.5272 34.0645 47.4639 34.0651 -46.8111 -140.269 47.4639 -140.27 -128.599 GPRESSURE: 606000 67.6912 69.0907 102.751 1.86322 -14.4576 -107.64 44.626 -144.146 -81.9061 PRESSAVG: 606000 22.3997 -7.13475 0.746509 -7.13468 -35.4491 -33.1545 0.746474 -33.1544 -37.6029 GPRESSAVG: 606000 22.4535 -5.45351 2.55028 -6.13691 -34.6811 -33.2862 -1.61253 -32.3065 -38.2161 TIMING: 606000 CPU: 1819.93, 0.00299531/step Wall: 1819.93, 0.00299531/step, 3.65595 hours remaining, 208.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 606000 730.2776 2041.1600 1919.3982 117.0925 -206341.0838 17756.0538 0.0000 0.0000 34088.0271 -149689.0746 297.6992 -183777.1017 -149591.9472 298.1634 -45.2941 -9.5575 556918.7680 -16.8841 -16.8146 PRESSURE: 606200 -20.3395 30.4549 -10.9416 30.4545 -105.901 99.1351 -10.9421 99.1363 98.5797 GPRESSURE: 606200 0.48208 102.609 -66.8577 19.6832 -103.227 8.17865 -7.21095 122.661 176.697 PRESSAVG: 606200 -6.7567 15.0539 5.61695 15.054 -26.4956 7.01461 5.61682 7.01469 56.2612 GPRESSAVG: 606200 -7.14407 13.4592 3.23594 15.2933 -26.5464 6.51427 8.00314 7.91489 57.1116 TIMING: 606200 CPU: 1820.53, 0.00298932/step Wall: 1820.53, 0.00298932/step, 3.64846 hours remaining, 208.222656 MB of memory in use. ENERGY: 606200 773.1747 2091.9943 1930.7498 112.6548 -206356.9953 17817.3263 0.0000 0.0000 34088.7854 -149542.3099 297.7058 -183631.0954 -149450.8902 298.7048 -9.2204 24.6508 556886.5763 7.6696 7.8070 PRESSURE: 606400 172.03 -63.4305 32.8751 -63.4308 314.146 21.8991 32.875 21.8989 146.033 GPRESSURE: 606400 244.052 109.012 8.60908 -24.2055 302.847 40.3442 70.6083 -38.3881 198.448 PRESSAVG: 606400 37.1152 5.33332 30.2222 5.33324 -18.9996 31.2165 30.2222 31.2165 -7.42205 GPRESSAVG: 606400 37.3981 2.69638 31.5277 6.26236 -19.688 29.5125 30.483 32.3893 -7.66802 TIMING: 606400 CPU: 1821.13, 0.00299493/step Wall: 1821.13, 0.00299493/step, 3.65514 hours remaining, 208.222656 MB of memory in use. ENERGY: 606400 755.1839 2105.9422 1939.6356 112.5307 -206825.4108 18250.8847 0.0000 0.0000 34343.5661 -149317.6675 299.9309 -183661.2336 -149221.9876 299.0518 210.7363 248.4490 555887.0950 3.5645 3.3474 PRESSURE: 606600 -51.8652 -88.4221 -50.7072 -88.4229 -187.839 19.7157 -50.707 19.7141 -94.0551 GPRESSURE: 606600 -50.1468 -180.691 -26.606 -50.726 -169.169 4.08415 -71.3708 4.33306 -20.9291 PRESSAVG: 606600 -29.9985 -13.49 -29.8136 -13.4901 33.0875 -11.3905 -29.8137 -11.3905 14.1233 GPRESSAVG: 606600 -30.2765 -12.5101 -29.0873 -14.7342 33.2052 -10.9646 -30.5987 -14.0038 13.4036 TIMING: 606600 CPU: 1821.73, 0.00301931/step Wall: 1821.73, 0.00301931/step, 3.68474 hours remaining, 208.222656 MB of memory in use. ENERGY: 606600 770.6517 2029.3433 1973.4739 122.4090 -205980.4879 17665.6896 0.0000 0.0000 34138.4334 -149280.4870 298.1394 -183418.9204 -149180.0731 299.2215 -111.2532 -80.0817 558140.3966 5.7375 5.4441 PRESSURE: 606800 -118.343 -145.166 -40.3994 -145.166 35.2972 67.7291 -40.3993 67.7299 -219.423 GPRESSURE: 606800 -73.939 -40.3933 -21.3001 -63.2337 79.833 76.3059 30.7979 93.8891 -203.336 PRESSAVG: 606800 -72.9398 -49.493 -8.37308 -49.493 87.7681 24.7401 -8.37311 24.7401 -15.4629 GPRESSAVG: 606800 -74.0613 -48.5737 -8.14903 -49.8857 87.6717 28.4407 -5.93479 24.5855 -14.8409 TIMING: 606800 CPU: 1822.33, 0.00301259/step Wall: 1822.33, 0.00301259/step, 3.67636 hours remaining, 208.222656 MB of memory in use. ENERGY: 606800 715.7274 2122.3538 1942.0197 116.3613 -206001.7616 17637.6338 0.0000 0.0000 33974.6396 -149493.0260 296.7090 -183467.6657 -149401.2265 298.8234 -100.8229 -65.8141 557916.6878 -0.2116 -0.4102 PRESSURE: 607000 20.4854 22.1206 -273.135 22.1203 36.3095 -53.9259 -273.134 -53.9262 -134.755 GPRESSURE: 607000 58.1357 3.75049 -346.396 37.96 43.5685 -2.97157 -282.218 -100.14 -75.9124 PRESSAVG: 607000 36.9225 -69.7806 -0.328291 -69.7806 58.1395 21.3925 -0.328302 21.3926 -67.0501 GPRESSAVG: 607000 37.3648 -70.451 0.0932268 -67.6147 58.4157 18.0573 -3.69308 22.5872 -67.471 TIMING: 607000 CPU: 1822.93, 0.0030056/step Wall: 1822.93, 0.0030056/step, 3.66766 hours remaining, 208.222656 MB of memory in use. ENERGY: 607000 751.8151 2077.8400 1948.3184 107.9893 -206587.9075 17941.0398 0.0000 0.0000 34274.1293 -149486.7757 299.3245 -183760.9050 -149392.8258 298.8271 -25.9867 8.5973 557615.5415 9.3373 9.4365 PRESSURE: 607200 189.967 45.5179 -5.14506 45.5174 149.901 13.6021 -5.14565 13.6039 -124.285 GPRESSURE: 607200 221.034 59.7695 -2.38098 -6.76307 166.58 -61.4583 68.8312 0.400246 -83.7111 PRESSAVG: 607200 -30.2865 19.9011 -28.1853 19.9011 72.8035 21.1202 -28.1854 21.1203 7.65925 GPRESSAVG: 607200 -30.5341 19.506 -28.8272 18.1994 72.75 23.7935 -26.2543 20.6447 8.05349 TIMING: 607200 CPU: 1823.53, 0.00299362/step Wall: 1823.53, 0.00299362/step, 3.65288 hours remaining, 208.222656 MB of memory in use. ENERGY: 607200 709.5658 2083.9549 1918.0983 118.9924 -206572.2150 17983.8464 0.0000 0.0000 34325.1678 -149432.5894 299.7702 -183757.7572 -149333.3946 298.5441 71.8608 101.3011 558469.1044 16.7254 16.7565 PRESSURE: 607400 -153.883 85.7714 -78.8445 85.7718 -116.684 -79.735 -78.8439 -79.7334 -130.095 GPRESSURE: 607400 -122.524 34.4939 -178.353 168.459 -64.1261 -33.4498 7.05635 -71.7985 -122.732 PRESSAVG: 607400 -69.3163 -12.7382 -64.5604 -12.7383 37.1333 3.09597 -64.5603 3.09597 65.3455 GPRESSAVG: 607400 -69.0676 -13.5677 -63.4497 -13.4858 37.2466 2.66651 -66.0046 2.61321 64.9039 TIMING: 607400 CPU: 1824.13, 0.00299171/step Wall: 1824.13, 0.00299171/step, 3.65039 hours remaining, 208.222656 MB of memory in use. ENERGY: 607400 739.5234 2085.6280 1913.1056 117.6700 -206292.9452 17673.6265 0.0000 0.0000 34176.8070 -149586.5847 298.4746 -183763.3917 -149497.9941 297.8990 -133.5543 -103.1273 557931.3450 11.0542 11.0276 PRESSURE: 607600 -153.236 -34.5731 -10.9133 -34.5732 -98.664 192.52 -10.9152 192.521 -87.9027 GPRESSURE: 607600 -156.921 4.1019 4.02985 -55.5341 -65.7311 180.355 -21.6101 280.685 -19.5844 PRESSAVG: 607600 7.26908 -30.99 8.99235 -30.99 -7.63637 -10.1723 8.9923 -10.1723 5.18471 GPRESSAVG: 607600 7.00234 -29.2394 8.88125 -30.6192 -8.38065 -11.1388 9.07166 -9.20113 6.54451 TIMING: 607600 CPU: 1824.73, 0.00299943/step Wall: 1824.73, 0.00299943/step, 3.65964 hours remaining, 208.222656 MB of memory in use. ENERGY: 607600 768.9293 2078.2291 1917.4983 110.4295 -206387.2729 17696.8455 0.0000 0.0000 34194.2330 -149621.1082 298.6267 -183815.3412 -149522.7688 297.8306 -113.2677 -80.7456 557370.4923 1.6058 1.7221 PRESSURE: 607800 0.91965 -98.4841 -40.3108 -98.484 125.346 -56.8035 -40.3121 -56.8042 -113.843 GPRESSURE: 607800 9.9375 -161.458 30.4711 -45.6322 178.71 -0.61777 -60.3934 -70.0873 -80.5582 PRESSAVG: 607800 -57.4152 -16.6134 -40.6645 -16.6134 32.3357 22.6462 -40.6646 22.6462 39.8068 GPRESSAVG: 607800 -56.6695 -17.1334 -40.2803 -17.4558 31.6646 23.0368 -40.127 22.5847 39.7719 TIMING: 607800 CPU: 1825.34, 0.00301935/step Wall: 1825.34, 0.00301935/step, 3.68378 hours remaining, 208.222656 MB of memory in use. ENERGY: 607800 744.3235 2075.7069 1939.4039 111.3030 -206384.3028 17714.2878 0.0000 0.0000 34381.5049 -149417.7728 300.2622 -183799.2777 -149322.2732 298.3348 4.1411 36.0298 556608.9776 4.9091 4.9223 PRESSURE: 608000 -251.124 34.6531 75.5474 34.6523 -181.084 -139.837 75.5472 -139.838 -75.3541 GPRESSURE: 608000 -214.723 37.7929 173.105 53.8335 -171.098 -35.7673 9.74172 -134.856 -30.6308 PRESSAVG: 608000 -20.0048 16.8735 -9.48582 16.8735 39.9757 20.397 -9.48585 20.397 -36.5421 GPRESSAVG: 608000 -19.004 17.0647 -8.22328 17.6046 39.2481 18.3004 -9.26981 21.8834 -37.0998 TIMING: 608000 CPU: 1825.94, 0.0030264/step Wall: 1825.94, 0.0030264/step, 3.69221 hours remaining, 208.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 608000 735.5194 2039.3748 1959.7184 105.0783 -205974.4563 17609.9813 0.0000 0.0000 34213.3869 -149311.3972 298.7940 -183524.7841 -149208.2842 298.1940 -169.1876 -138.8174 557590.6977 -5.5237 -5.6186 PRESSURE: 608200 222.409 -57.0915 50.1084 -57.0926 -115.551 108.069 50.109 108.069 30.2947 GPRESSURE: 608200 245.993 -100.441 -0.69241 27.705 -139.725 61.5475 109.275 231.819 131.184 PRESSAVG: 608200 -39.2305 9.28024 3.6706 9.28019 3.74856 17.9848 3.67059 17.9848 27.9669 GPRESSAVG: 608200 -39.9886 8.94288 -0.90909 8.89429 4.34329 19.3727 4.60301 16.9029 28.1526 TIMING: 608200 CPU: 1826.54, 0.0030034/step Wall: 1826.54, 0.0030034/step, 3.66398 hours remaining, 208.222656 MB of memory in use. ENERGY: 608200 722.9449 2117.7244 1960.0276 113.8934 -205759.2351 17602.5952 0.0000 0.0000 34168.5425 -149073.5071 298.4024 -183242.0496 -148972.9980 299.1002 45.7178 79.1509 557070.7844 -2.5050 -2.4976 LDB: ============= START OF LOAD BALANCING ============== 1830.06 LDB: ============== END OF LOAD BALANCING =============== 1830.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1830.06 LDB: ============= START OF LOAD BALANCING ============== 1830.36 LDB: Largest compute 4794 load 0.027078 is 23.0% of average load 0.117932 LDB: Average compute 0.001731 is 1.5% of average load 0.117932 LDB: TIME 1830.36 LOAD: AVG 0.117932 MAX 0.205639 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.793 MB LDB: TIME 1830.36 LOAD: AVG 0.117932 MAX 0.205639 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.793 MB LDB: TIME 1830.36 LOAD: AVG 0.117932 MAX 0.205639 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.793 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1830.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1830.37 PRESSURE: 608400 21.2097 -43.4564 -208.531 -43.4568 -111.446 81.2329 -208.531 81.2322 363.49 GPRESSURE: 608400 71.9055 -86.5521 -108.615 -63.2921 -66.373 16.9146 -234.826 105.214 371.3 PRESSAVG: 608400 -86.0437 70.2791 -39.9494 70.279 52.0993 52.0452 -39.9494 52.0453 53.3467 GPRESSAVG: 608400 -86.0028 68.9183 -35.5952 70.9885 52.6239 53.0422 -41.6102 52.606 52.5801 TIMING: 608400 CPU: 1827.15, 0.00305021/step Wall: 1827.15, 0.00305021/step, 3.72092 hours remaining, 208.652344 MB of memory in use. ENERGY: 608400 761.2075 1999.4076 1963.0918 99.3662 -206362.8347 18028.4369 0.0000 0.0000 34408.5272 -149102.7975 300.4982 -183511.3247 -149002.5780 298.6060 91.0847 125.6110 558025.4772 6.4675 6.4004 PRESSURE: 608600 -82.9385 -46.5698 177.272 -46.5695 -207.45 -113.753 177.272 -113.754 -107.197 GPRESSURE: 608600 -38.2789 -45.0375 186.136 -85.683 -223.71 -13.597 99.6503 -184.111 -33.514 PRESSAVG: 608600 -35.5766 -6.69753 -27.9999 -6.6975 -28.9868 -6.29994 -27.9999 -6.29994 28.286 GPRESSAVG: 608600 -34.9313 -6.77528 -28.1153 -6.8586 -30.1565 -4.01976 -28.3556 -8.77607 29.0099 TIMING: 608600 CPU: 1827.74, 0.00296063/step Wall: 1827.74, 0.00296063/step, 3.61147 hours remaining, 208.652344 MB of memory in use. ENERGY: 608600 749.1165 2102.5779 1970.0893 101.9515 -205734.4181 17597.4351 0.0000 0.0000 34025.3052 -149187.9426 297.1515 -183213.2478 -149092.8125 299.0554 -132.5285 -98.5010 557515.1131 -12.0925 -12.0259 PRESSURE: 608800 -167.392 -2.55539 42.0901 -2.55597 -328.554 68.7369 42.0903 68.7355 97.2996 GPRESSURE: 608800 -137.22 68.6342 65.5103 -11.2305 -342.738 69.3298 83.5346 70.9115 186.307 PRESSAVG: 608800 -29.1785 31.9629 -5.62139 31.9629 -15.1859 -11.7599 -5.62141 -11.7599 68.3432 GPRESSAVG: 608800 -29.9634 32.878 -5.00183 32.4723 -14.2829 -13.4939 -5.54827 -11.3205 68.2843 TIMING: 608800 CPU: 1828.34, 0.0029694/step Wall: 1828.34, 0.0029694/step, 3.62201 hours remaining, 208.652344 MB of memory in use. ENERGY: 608800 746.8034 2037.2502 1937.7114 96.0894 -205803.2150 17579.6695 0.0000 0.0000 34223.5104 -149182.1807 298.8824 -183405.6911 -149085.9747 299.7077 -132.8820 -97.8838 557697.6371 7.9929 8.0127 PRESSURE: 609000 -192.974 30.4514 26.4557 30.4521 110.594 -53.6522 26.4556 -53.6524 -247.44 GPRESSURE: 609000 -122.48 15.4655 134.273 -38.4003 136.235 -80.1506 5.94791 -84.7261 -246.685 PRESSAVG: 609000 -28.9662 10.7625 11.7109 10.7625 33.6891 -36.9496 11.7108 -36.9496 9.64959 GPRESSAVG: 609000 -28.6643 9.2643 11.4782 12.7124 33.3054 -38.6176 10.8428 -35.2635 9.30879 TIMING: 609000 CPU: 1828.93, 0.00298905/step Wall: 1828.93, 0.00298905/step, 3.64581 hours remaining, 208.652344 MB of memory in use. ENERGY: 609000 749.9126 2076.3438 1935.4087 110.9499 -206012.5796 17730.8534 0.0000 0.0000 34304.4546 -149104.6565 299.5893 -183409.1110 -149004.4840 299.3284 -109.9401 -77.6433 557887.1481 4.7908 4.6500 PRESSURE: 609200 124.856 -230.345 -26.0363 -230.344 5.32801 -100.099 -26.0368 -100.1 39.8422 GPRESSURE: 609200 132.272 -149.521 -41.9252 -206.136 50.5406 -64.7327 -61.6501 -156.496 91.8367 PRESSAVG: 609200 -12.456 -26.7574 25.7766 -26.7574 41.2848 -84.2463 25.7765 -84.2463 -0.866886 GPRESSAVG: 609200 -12.6224 -26.4133 24.6262 -26.5689 41.7594 -82.0071 25.0432 -86.0808 -1.19497 TIMING: 609200 CPU: 1829.54, 0.0030036/step Wall: 1829.54, 0.0030036/step, 3.66339 hours remaining, 208.652344 MB of memory in use. ENERGY: 609200 742.2875 2148.8075 1931.2560 109.2426 -206255.9878 17844.7288 0.0000 0.0000 34360.2775 -149119.3878 300.0768 -183479.6653 -149021.4572 299.8791 56.6753 91.5497 555460.7447 9.3206 9.3140 PRESSURE: 609400 60.1256 62.7769 -86.7918 62.7784 17.9241 -10.3238 -86.7919 -10.3233 5.91211 GPRESSURE: 609400 63.7682 59.2354 -153.441 16.6332 85.9347 -53.55 -50.7964 -38.0243 32.6209 PRESSAVG: 609400 -52.7279 15.0243 36.5963 15.0244 61.0614 -1.5443 36.5963 -1.54428 29.3766 GPRESSAVG: 609400 -52.6455 17.1122 34.5714 12.8494 61.0373 -4.31322 39.4191 0.599479 29.1374 TIMING: 609400 CPU: 1830.13, 0.00297642/step Wall: 1830.13, 0.00297642/step, 3.63008 hours remaining, 208.652344 MB of memory in use. ENERGY: 609400 716.7497 2041.8289 1934.4700 111.2689 -206064.3502 17955.9411 0.0000 0.0000 34236.8627 -149067.2288 298.9990 -183304.0915 -148973.0991 299.9183 27.9872 60.7746 556770.0188 12.5700 12.5097 PRESSURE: 609600 -382.49 154.999 -142.468 154.998 -119.375 202.354 -142.469 202.355 23.0117 GPRESSURE: 609600 -350.025 120.63 -107.035 134.108 -45.9149 214.713 -20.4201 189.502 20.8542 PRESSAVG: 609600 -55.6598 36.9313 14.4905 36.9312 31.6271 -52.3615 14.4904 -52.3615 37.0655 GPRESSAVG: 609600 -55.5932 35.2579 15.0998 39.2099 31.8158 -51.4999 14.7973 -52.5179 36.975 TIMING: 609600 CPU: 1830.73, 0.00300016/step Wall: 1830.73, 0.00300016/step, 3.65886 hours remaining, 208.652344 MB of memory in use. ENERGY: 609600 769.8473 2075.3792 1911.4075 109.2864 -205805.5137 17611.4549 0.0000 0.0000 34256.7171 -149071.4212 299.1724 -183328.1383 -148973.3403 299.4096 -159.6177 -125.0286 557576.1423 4.3443 4.3992 PRESSURE: 609800 213.841 14.0162 -107.988 14.0168 375.569 -93.0297 -107.985 -93.0307 -75.8434 GPRESSURE: 609800 293.568 124.316 -29.0667 52.9239 415.067 -17.6389 -59.0866 -121.176 -84.922 PRESSAVG: 609800 -63.8907 29.3347 -20.055 29.3348 11.4815 -40.4091 -20.0548 -40.4091 21.0392 GPRESSAVG: 609800 -64.743 28.8229 -20.4994 27.5553 11.0117 -39.8212 -19.5768 -40.9592 21.5703 TIMING: 609800 CPU: 1831.33, 0.00300793/step Wall: 1831.33, 0.00300793/step, 3.66817 hours remaining, 208.652344 MB of memory in use. ENERGY: 609800 719.8896 2051.9658 1935.4471 112.8139 -206307.9837 18003.8395 0.0000 0.0000 34600.1089 -148883.9188 302.1714 -183484.0277 -148780.2099 300.4237 171.1891 207.9044 556315.9086 -10.4567 -10.7203 PRESSURE: 610000 -210.856 -60.6661 170.617 -60.666 -20.771 -57.9865 170.617 -57.9875 -249.1 GPRESSURE: 610000 -183.359 -68.6861 238.311 7.17736 -72.49 -121.426 113.285 -72.8624 -124.232 PRESSAVG: 610000 -66.995 13.2265 22.5825 13.2265 98.7111 -30.8622 22.5824 -30.8622 -22.2962 GPRESSAVG: 610000 -66.1562 15.08 24.6382 15.0657 98.2756 -30.7197 20.8523 -32.1308 -22.8227 TIMING: 610000 CPU: 1831.93, 0.00300292/step Wall: 1831.93, 0.00300292/step, 3.6619 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: 610000 736.5145 2021.2258 1921.6829 118.4908 -205487.0985 17312.8733 0.0000 0.0000 34398.1571 -148978.1541 300.4077 -183376.3112 -148878.5203 300.5415 -160.2422 -126.6937 558703.4233 3.1400 3.0989 PRESSURE: 610200 -162.067 59.7772 89.6687 59.7786 -146.69 6.40946 89.67 6.4085 -96.4304 GPRESSURE: 610200 -90.0927 41.144 62.0704 121.859 -74.7996 -4.59587 78.3701 58.5944 -145.547 PRESSAVG: 610200 21.9003 12.6803 -5.25018 12.6803 49.2553 23.8807 -5.25015 23.8809 -24.0255 GPRESSAVG: 610200 21.3203 12.2966 -7.07217 11.4867 49.4703 21.9211 -5.40044 24.2323 -24.1721 TIMING: 610200 CPU: 1832.53, 0.00297041/step Wall: 1832.53, 0.00297041/step, 3.62209 hours remaining, 208.652344 MB of memory in use. ENERGY: 610200 745.9928 2055.9175 1937.9585 104.1958 -205961.7730 17547.0644 0.0000 0.0000 34350.4620 -149220.1821 299.9911 -183570.6441 -149125.8633 299.6356 -135.0627 -103.4796 558048.7250 15.7100 15.5395 PRESSURE: 610400 121.022 116.584 -280.591 116.584 329.555 153.158 -280.59 153.157 -188.218 GPRESSURE: 610400 198.079 51.2594 -283.515 71.5479 299.263 178.151 -230.45 124.355 -136.478 PRESSAVG: 610400 25.486 -14.7549 -28.7332 -14.7548 -25.66 29.3934 -28.7332 29.3933 -7.61596 GPRESSAVG: 610400 26.2752 -12.7598 -28.7209 -16.5709 -26.6478 31.719 -28.349 28.6902 -7.26711 TIMING: 610400 CPU: 1833.12, 0.00295866/step Wall: 1833.12, 0.00295866/step, 3.60759 hours remaining, 208.652344 MB of memory in use. ENERGY: 610400 726.6606 2090.8334 1927.9768 106.8107 -206305.0908 17899.4937 0.0000 0.0000 34172.7042 -149380.6113 298.4387 -183553.3155 -149279.1430 299.5614 87.4530 120.2880 556460.0564 -2.5967 -2.5466 PRESSURE: 610600 -71.8109 46.2101 -74.1762 46.2089 22.3322 198.763 -74.1748 198.763 -106.547 GPRESSURE: 610600 -34.9003 93.5709 -143.803 -34.8968 31.8656 143.342 -63.0338 116.242 -68.2907 PRESSAVG: 610600 11.0298 35.6639 -42.0248 35.6638 -3.67855 62.0331 -42.0248 62.0329 17.6081 GPRESSAVG: 610600 10.3074 33.8829 -41.4473 37.5772 -2.11418 58.9267 -42.6574 64.1014 17.4831 TIMING: 610600 CPU: 1833.71, 0.00296097/step Wall: 1833.71, 0.00296097/step, 3.61024 hours remaining, 208.652344 MB of memory in use. ENERGY: 610600 783.7981 2065.9120 1933.9517 99.8540 -206162.1709 17735.2993 0.0000 0.0000 34152.2072 -149391.1486 298.2597 -183543.3559 -149291.3593 299.1939 -52.0085 -23.7752 557096.3002 8.3198 8.5588 PRESSURE: 610800 236.921 -146.488 -36.5931 -146.486 55.7266 213.356 -36.5935 213.356 15.0216 GPRESSURE: 610800 307.575 -155.191 52.9676 -124.041 60.2928 178.36 -42.4976 309.086 31.8955 PRESSAVG: 610800 -1.8379 8.54501 23.5755 8.54497 15.6057 74.2013 23.5755 74.2013 -22.8804 GPRESSAVG: 610800 -1.38402 5.64401 24.409 10.1741 15.6253 77.0313 25.0179 70.9193 -23.1681 TIMING: 610800 CPU: 1834.31, 0.00297222/step Wall: 1834.31, 0.00297222/step, 3.6238 hours remaining, 208.652344 MB of memory in use. ENERGY: 610800 739.1424 2042.1706 1958.0065 113.4657 -206633.4923 18050.7057 0.0000 0.0000 34387.9917 -149342.0096 300.3189 -183730.0013 -149240.3598 299.6902 102.5564 133.2544 556806.4147 -3.0375 -2.9756 PRESSURE: 611000 -61.3486 -84.3001 -139.199 -84.3002 355.889 5.9112 -139.198 5.91082 217.411 GPRESSURE: 611000 -7.42841 -137.884 -171.695 -110.607 360.83 -30.9668 -121.928 60.1812 245.55 PRESSAVG: 611000 34.3043 8.92201 8.31453 8.92198 38.9215 -11.8018 8.31447 -11.8019 -10.3113 GPRESSAVG: 611000 35.3538 10.9733 4.69696 6.94393 37.9977 -11.2982 11.1795 -10.827 -10.5249 TIMING: 611000 CPU: 1834.91, 0.00303269/step Wall: 1834.91, 0.00303269/step, 3.69735 hours remaining, 208.652344 MB of memory in use. ENERGY: 611000 762.4854 2016.8955 1945.6318 113.5120 -206223.1258 17907.0590 0.0000 0.0000 34196.7188 -149280.8234 298.6485 -183477.5421 -149184.5053 299.3981 170.6507 199.6504 556389.3506 20.9715 20.9422 PRESSURE: 611200 -172.147 33.1913 -122.189 33.1914 -247.887 52.7875 -122.189 52.7876 -179.894 GPRESSURE: 611200 -171.527 -30.9158 -85.4929 27.3996 -203.09 85.0855 -55.2476 43.0295 -133.539 PRESSAVG: 611200 65.6302 9.04713 51.8886 9.04712 -15.201 22.7493 51.8886 22.7493 -23.8078 GPRESSAVG: 611200 65.2993 9.55515 56.3065 8.98073 -14.0576 22.8198 48.5988 22.7968 -24.429 TIMING: 611200 CPU: 1835.51, 0.00299052/step Wall: 1835.51, 0.00299052/step, 3.64578 hours remaining, 208.652344 MB of memory in use. ENERGY: 611200 758.7296 2069.2306 1927.0994 114.9550 -205784.6545 17505.9030 0.0000 0.0000 34147.4077 -149261.3292 298.2178 -183408.7369 -149159.8915 299.2053 -199.9759 -169.3855 557951.9079 8.8738 8.9376 PRESSURE: 611400 -13.6391 12.424 2.83186 12.4237 -177.52 130.55 2.83216 130.549 -52.4939 GPRESSURE: 611400 -10.1779 67.5877 26.1721 -0.704756 -141.508 147.105 -57.7806 51.8504 8.12859 PRESSAVG: 611400 45.1322 -21.4901 -1.82738 -21.4901 -33.591 40.7365 -1.82736 40.7365 -11.868 GPRESSAVG: 611400 45.0847 -22.4666 -3.50983 -21.9861 -33.8279 40.094 -1.62705 41.8949 -11.5945 TIMING: 611400 CPU: 1836.11, 0.00298581/step Wall: 1836.11, 0.00298581/step, 3.63987 hours remaining, 208.652344 MB of memory in use. ENERGY: 611400 784.1073 2050.3836 1924.3200 112.2127 -206463.4240 18006.1275 0.0000 0.0000 34273.7604 -149312.5124 299.3213 -183586.2728 -149217.7665 299.0407 -81.2176 -47.8524 557635.8271 -0.1089 -0.1126 PRESSURE: 611600 -108.846 83.1195 -114.21 83.1202 -117.098 239.059 -114.209 239.059 -83.8776 GPRESSURE: 611600 -21.4873 24.3813 -89.0991 22.5142 -153.507 174.411 -197.272 213.823 -28.7714 PRESSAVG: 611600 19.9601 0.664617 7.08194 0.664679 28.5848 38.7028 7.08194 38.7027 -44.0919 GPRESSAVG: 611600 19.461 2.98518 7.34048 -2.67263 27.8484 36.7787 5.64236 40.8394 -42.8474 TIMING: 611600 CPU: 1836.71, 0.00299127/step Wall: 1836.71, 0.00299127/step, 3.64636 hours remaining, 208.652344 MB of memory in use. ENERGY: 611600 748.3675 2082.3262 1927.9274 109.3622 -206122.0812 17639.4137 0.0000 0.0000 34357.3009 -149257.3833 300.0509 -183614.6842 -149160.2150 299.0532 -103.2739 -67.9220 557534.0215 1.4843 1.4873 PRESSURE: 611800 -428.221 -27.159 -148.426 -27.1594 44.3095 -83.9531 -148.426 -83.952 -267.471 GPRESSURE: 611800 -355.689 -67.0865 -29.4321 -8.07339 71.8013 -156.026 -104.391 -3.19392 -267.277 PRESSAVG: 611800 8.75412 -0.770959 37.6801 -0.770954 51.6564 33.0037 37.68 33.0037 -22.8737 GPRESSAVG: 611800 9.74513 -1.06458 38.2769 2.06629 52.2761 35.192 38.2341 29.9513 -23.706 TIMING: 611800 CPU: 1837.3, 0.00298055/step Wall: 1837.3, 0.00298055/step, 3.63313 hours remaining, 208.652344 MB of memory in use. ENERGY: 611800 765.0457 2097.8603 1929.0516 111.4195 -206023.2012 17687.6933 0.0000 0.0000 34181.6845 -149250.4462 298.5172 -183432.1308 -149155.9395 298.7423 -217.1276 -183.7215 559181.0231 12.5123 12.7717 PRESSURE: 612000 -170.43 199.216 68.8065 199.217 -73.331 125.024 68.8068 125.023 -162.151 GPRESSURE: 612000 -142.373 210.054 133.561 195.801 -72.0521 167.77 78.2064 119.49 -99.5711 PRESSAVG: 612000 50.1694 0.392305 -22.2513 0.392373 43.7651 27.0592 -22.2512 27.0592 -65.3418 GPRESSAVG: 612000 49.7548 -0.517333 -23.4642 1.51888 44.654 28.222 -21.1603 27.9344 -65.5309 TIMING: 612000 CPU: 1837.9, 0.00298748/step Wall: 1837.9, 0.00298748/step, 3.6414 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: 612000 754.9905 2141.2515 1929.3442 121.5474 -205970.8380 17727.6776 0.0000 0.0000 34126.2649 -149169.7618 298.0332 -183296.0267 -149079.4383 299.3676 -135.3040 -104.6653 558591.5312 9.5309 9.6260 PRESSURE: 612200 -26.5147 -71.9289 19.1305 -71.9286 -187.646 -148.371 19.1302 -148.37 -11.0833 GPRESSURE: 612200 14.0318 -47.9314 68.7376 -4.41443 -167.209 -90.5007 22.1609 -131.32 38.7757 PRESSAVG: 612200 87.3665 37.4313 -5.77961 37.4314 -87.7871 -8.5408 -5.77957 -8.54069 -43.3154 GPRESSAVG: 612200 87.6372 36.9737 -7.91265 36.3408 -89.5537 -9.70452 -3.0552 -8.63415 -41.9777 TIMING: 612200 CPU: 1838.49, 0.00296888/step Wall: 1838.49, 0.00296888/step, 3.61857 hours remaining, 208.652344 MB of memory in use. ENERGY: 612200 736.0386 2091.0055 1946.5394 115.2082 -206290.4803 17679.1123 0.0000 0.0000 34313.1791 -149409.3972 299.6655 -183722.5763 -149310.5498 298.7832 -75.0813 -38.1337 556917.3259 -14.5787 -14.6314 LDB: ============= START OF LOAD BALANCING ============== 1842.01 LDB: ============== END OF LOAD BALANCING =============== 1842.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1842.01 LDB: ============= START OF LOAD BALANCING ============== 1842.31 LDB: Largest compute 4794 load 0.028017 is 23.8% of average load 0.117902 LDB: Average compute 0.001730 is 1.5% of average load 0.117902 LDB: TIME 1842.31 LOAD: AVG 0.117902 MAX 0.204265 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.668 MB LDB: TIME 1842.31 LOAD: AVG 0.117902 MAX 0.204265 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.871 MB LDB: TIME 1842.31 LOAD: AVG 0.117902 MAX 0.204265 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.871 MB LDB: ============== END OF LOAD BALANCING =============== 1842.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1842.31 PRESSURE: 612400 101.912 64.0358 18.3873 64.036 -224.122 180.58 18.3865 180.579 64.2818 GPRESSURE: 612400 151.575 32.8376 60.1984 67.442 -229.794 107.468 -28.2254 166.111 118.966 PRESSAVG: 612400 114.571 -23.2814 -64.4211 -23.2814 -64.5599 1.8171 -64.4212 1.81711 -7.50675 GPRESSAVG: 612400 115.431 -22.9907 -64.1926 -23.814 -63.0504 1.7383 -67.903 1.58346 -9.34293 TIMING: 612400 CPU: 1839.1, 0.00302702/step Wall: 1839.1, 0.00302702/step, 3.68927 hours remaining, 207.648438 MB of memory in use. ENERGY: 612400 759.7666 2126.4695 1931.1430 119.0831 -206637.5166 17879.5112 0.0000 0.0000 34370.2907 -149451.2525 300.1643 -183821.5432 -149359.0647 299.1126 -19.3092 13.5825 557291.5522 14.1682 14.3458 PRESSURE: 612600 -1.44838 46.5195 17.8017 46.5195 10.0385 -115.315 17.8002 -115.317 -260.475 GPRESSURE: 612600 8.36068 78.1426 92.6207 -11.6678 49.6385 -68.4701 -66.3151 -73.4099 -209.79 PRESSAVG: 612600 46.6733 11.1633 -15.0508 11.1633 -15.0351 -18.6763 -15.0508 -18.6763 -33.1179 GPRESSAVG: 612600 46.6115 10.6722 -13.2957 12.4941 -15.377 -17.6127 -15.0827 -18.8133 -32.5018 TIMING: 612600 CPU: 1839.7, 0.0029883/step Wall: 1839.7, 0.0029883/step, 3.6419 hours remaining, 207.851562 MB of memory in use. ENERGY: 612600 736.3132 2157.5043 1922.2201 101.0008 -206241.9250 17833.6114 0.0000 0.0000 34171.6614 -149319.6139 298.4296 -183491.2753 -149232.1409 298.6943 -83.9616 -50.5968 558383.8327 -0.4932 -0.4224 PRESSURE: 612800 299.188 130.358 -192.419 130.359 -102.245 -32.207 -192.419 -32.2074 -74.8312 GPRESSURE: 612800 296.55 94.0107 -203.207 77.3058 -38.154 31.1949 -96.1402 -47.6109 -30.3101 PRESSAVG: 612800 51.1013 7.41424 -26.8628 7.41419 -22.0275 17.5986 -26.8628 17.5985 -31.089 GPRESSAVG: 612800 50.4487 8.47729 -28.1598 5.42983 -21.7452 18.034 -25.3372 16.8759 -30.5823 TIMING: 612800 CPU: 1840.29, 0.00297167/step Wall: 1840.29, 0.00297167/step, 3.62148 hours remaining, 207.851562 MB of memory in use. ENERGY: 612800 701.6540 2101.6869 1968.2120 117.2779 -206363.7522 18009.8161 0.0000 0.0000 34225.4362 -149239.6692 298.8992 -183465.1053 -149139.6056 299.3169 40.7039 76.0287 556636.8822 -0.6717 -0.6263 PRESSURE: 613000 0.307773 -33.0159 134.158 -33.0159 -106.066 189.229 134.158 189.227 338.768 GPRESSURE: 613000 57.9575 -68.2497 185.329 -21.3098 -94.6046 216.369 66.6654 209.941 354.867 PRESSAVG: 613000 89.2919 -4.79752 -60.9364 -4.79744 21.4992 -7.23295 -60.9364 -7.23294 -34.4865 GPRESSAVG: 613000 89.9844 -4.78619 -59.0644 -5.02822 21.097 -6.82799 -62.796 -5.68778 -34.8486 TIMING: 613000 CPU: 1840.88, 0.00296544/step Wall: 1840.88, 0.00296544/step, 3.61371 hours remaining, 207.851562 MB of memory in use. ENERGY: 613000 768.0611 2114.5421 1928.8253 108.0926 -206366.5015 18081.3844 0.0000 0.0000 34304.8006 -149060.7954 299.5924 -183365.5960 -148961.6832 299.3765 77.6702 106.0733 558323.8761 25.4349 25.4109 PRESSURE: 613200 -208.223 -39.7079 11.5461 -39.7089 -95.8607 -92.2669 11.5464 -92.2667 42.2453 GPRESSURE: 613200 -178.258 -65.9447 22.0725 -44.5848 -25.2192 -76.2802 9.24443 -76.7685 44.7255 PRESSAVG: 613200 58.9754 -43.1458 -18.8092 -43.1458 -57.9144 20.5157 -18.8092 20.5157 40.8666 GPRESSAVG: 613200 60.2095 -43.9844 -19.2643 -42.2547 -58.0527 19.0821 -17.0356 21.8563 40.1393 TIMING: 613200 CPU: 1841.48, 0.0029693/step Wall: 1841.48, 0.0029693/step, 3.61825 hours remaining, 208.109375 MB of memory in use. ENERGY: 613200 736.9432 2093.6156 1933.3619 115.3513 -205966.7898 17767.0793 0.0000 0.0000 34349.9615 -148970.4770 299.9868 -183320.4385 -148870.5579 300.7780 -87.2793 -52.9174 560569.9337 13.9759 14.0987 PRESSURE: 613400 93.841 -78.8054 -40.0206 -78.8067 -138.84 243.876 -40.0212 243.876 336.135 GPRESSURE: 613400 102.973 -60.6923 -40.5917 -39.7618 -94.1179 175.564 -27.8157 204.289 382.617 PRESSAVG: 613400 37.4695 -21.6144 16.4172 -21.6145 -61.9323 -5.5046 16.4173 -5.50455 30.8249 GPRESSAVG: 613400 36.0839 -23.8651 16.9548 -20.7681 -59.9841 -5.30838 15.287 -6.60636 30.6034 TIMING: 613400 CPU: 1842.07, 0.00296671/step Wall: 1842.07, 0.00296671/step, 3.61493 hours remaining, 208.109375 MB of memory in use. ENERGY: 613400 742.3894 2113.3816 1961.2931 108.7673 -206678.7616 18139.8754 0.0000 0.0000 34593.3455 -149019.7092 302.1123 -183613.0547 -148919.1273 299.8722 97.0453 130.4907 558014.6697 2.1207 2.2344 PRESSURE: 613600 -147.071 147.805 -59.0812 147.804 -162.963 -100.233 -59.0809 -100.234 -26.4452 GPRESSURE: 613600 -113.926 142.231 -43.9896 73.9689 -181.081 -120.754 -60.2498 -87.3944 55.6207 PRESSAVG: 613600 39.3358 -21.9772 -17.2403 -21.9772 -16.9825 60.2425 -17.2403 60.2426 12.811 GPRESSAVG: 613600 38.705 -20.1887 -16.9375 -23.7512 -17.4932 58.5711 -15.7843 61.1649 13.9057 TIMING: 613600 CPU: 1842.66, 0.00295891/step Wall: 1842.66, 0.00295891/step, 3.60527 hours remaining, 208.109375 MB of memory in use. ENERGY: 613600 774.4184 2048.5387 1980.5937 123.7733 -205827.2239 17628.9033 0.0000 0.0000 34256.9388 -149014.0577 299.1744 -183270.9965 -148913.2301 300.0170 -112.1596 -79.7952 558818.4962 11.7214 11.7058 PRESSURE: 613800 128.91 -183.555 -104.73 -183.555 -92.939 -63.4418 -104.73 -63.4415 -182.196 GPRESSURE: 613800 125.202 -208.054 -104.408 -181.762 -63.865 -48.8229 -116.04 -43.4537 -99.1105 PRESSAVG: 613800 -17.1071 19.2433 11.965 19.2433 28.7982 16.3113 11.965 16.3113 37.897 GPRESSAVG: 613800 -16.9689 20.4841 12.5184 20.6934 28.5389 18.8615 13.0317 14.6551 38.2766 TIMING: 613800 CPU: 1843.25, 0.00295293/step Wall: 1843.25, 0.00295293/step, 3.59782 hours remaining, 208.109375 MB of memory in use. ENERGY: 613800 727.8229 2137.7365 1927.2672 113.6854 -206180.8589 17774.0601 0.0000 0.0000 34525.4454 -148974.8414 301.5193 -183500.2867 -148877.9734 300.3145 -48.7417 -12.5913 559018.4515 16.5294 16.6155 PRESSURE: 614000 -322.698 -70.7514 12.3447 -70.7501 21.9609 -40.7012 12.343 -40.7007 -333.829 GPRESSURE: 614000 -304.014 -1.51519 58.1267 -122.154 80.2693 -38.618 46.1422 -78.9389 -304.098 PRESSAVG: 614000 2.23484 31.2123 -17.2633 31.2123 -23.552 31.7616 -17.2633 31.7616 -10.166 GPRESSAVG: 614000 2.84234 32.143 -15.8551 30.4319 -23.3578 30.5349 -18.2421 31.3068 -10.9394 TIMING: 614000 CPU: 1843.85, 0.00298407/step Wall: 1843.85, 0.00298407/step, 3.63559 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: 614000 720.8200 2073.1823 1951.5604 99.3922 -205940.3005 17622.8675 0.0000 0.0000 34353.0226 -149119.4555 300.0135 -183472.4781 -149017.5459 299.9170 -211.5219 -175.9477 558305.5990 -10.4944 -10.4849 PRESSURE: 614200 -133.557 30.9932 -214.803 30.9932 260.554 55.0482 -214.802 55.0482 436.731 GPRESSURE: 614200 -66.4447 62.1128 -272.865 -46.8634 302.692 38.0919 -168.28 129.46 432.641 PRESSAVG: 614200 32.2565 43.2574 -81.0079 43.2574 -25.9538 30.6968 -81.0078 30.6967 -24.6691 GPRESSAVG: 614200 33.0178 40.9663 -85.1599 44.2083 -26.6111 27.672 -80.7002 33.2779 -24.8833 TIMING: 614200 CPU: 1844.44, 0.00297337/step Wall: 1844.44, 0.00297337/step, 3.62239 hours remaining, 208.109375 MB of memory in use. ENERGY: 614200 730.4940 2087.4685 1938.1200 111.8684 -206614.3006 18229.1244 0.0000 0.0000 34465.6876 -149051.5377 300.9974 -183517.2252 -148956.9438 299.7667 187.9093 222.9628 558160.3102 -6.1222 -6.1589 PRESSURE: 614400 -114.713 -64.3513 -16.7426 -64.3533 -204.27 50.4474 -16.7433 50.4481 -140.203 GPRESSURE: 614400 -79.8262 -20.2379 -44.663 -113.804 -154.972 27.7151 -61.1717 49.5027 -142.143 PRESSAVG: 614400 -42.0297 13.2633 18.8323 13.2632 -7.20809 -37.3072 18.8324 -37.3071 18.778 GPRESSAVG: 614400 -42.9875 14.8054 20.6852 10.8507 -5.95763 -35.4492 18.0612 -37.5868 18.3382 TIMING: 614400 CPU: 1845.03, 0.00295075/step Wall: 1845.03, 0.00295075/step, 3.59467 hours remaining, 208.109375 MB of memory in use. ENERGY: 614400 736.4778 2114.5897 1912.0867 113.3324 -206026.9972 17717.2630 0.0000 0.0000 34189.8910 -149243.3566 298.5888 -183433.2476 -149145.1444 299.9077 -153.0620 -125.6472 559301.4687 -10.1533 -10.2023 PRESSURE: 614600 -8.16675 122.069 93.1109 122.071 115.546 9.44587 93.1104 9.44627 -242.608 GPRESSURE: 614600 35.0202 125.405 97.2399 117.589 152.328 6.48507 95.8178 26.614 -215.732 PRESSAVG: 614600 -11.6122 14.8143 -2.95002 14.8143 13.3572 -17.598 -2.9501 -17.5981 12.7578 GPRESSAVG: 614600 -11.59 15.1323 -2.62114 14.0027 13.7149 -17.3791 -4.19923 -18.2906 12.6478 TIMING: 614600 CPU: 1845.63, 0.00295538/step Wall: 1845.63, 0.00295538/step, 3.60014 hours remaining, 208.109375 MB of memory in use. ENERGY: 614600 729.3703 2057.6069 1930.3344 108.3249 -205932.1996 17644.0859 0.0000 0.0000 34270.1800 -149192.2971 299.2900 -183462.4771 -149096.5665 299.2213 -45.0764 -9.4611 558104.4287 4.8343 4.9242 PRESSURE: 614800 -33.1307 52.0157 101.561 52.0148 -59.9216 -92.888 101.56 -92.8895 -33.9831 GPRESSURE: 614800 -67.4219 74.7775 121.76 46.5124 -7.47736 -49.9987 61.7836 -38.1974 42.9912 PRESSAVG: 614800 16.2329 75.8372 19.2922 75.8373 -59.2283 -73.243 19.2922 -73.2431 -0.764087 GPRESSAVG: 614800 15.7263 75.5082 19.2346 77.1301 -59.285 -73.8883 21.3902 -71.8478 -0.412524 TIMING: 614800 CPU: 1846.22, 0.00294922/step Wall: 1846.22, 0.00294922/step, 3.59247 hours remaining, 208.109375 MB of memory in use. ENERGY: 614800 740.6417 2097.2481 1942.0906 133.4863 -205842.0081 17801.4132 0.0000 0.0000 34145.3859 -148981.7423 298.2001 -183127.1282 -148891.1782 299.0527 -42.3452 -10.6360 559315.7425 -14.5865 -14.6571 PRESSURE: 615000 106.518 77.9138 -101.093 77.9152 -2.69702 -101.886 -101.093 -101.885 294.25 GPRESSURE: 615000 162.699 117.467 -177.349 27.5883 18.6584 -91.2297 -7.57345 -74.0378 316.001 PRESSAVG: 615000 -70.6884 20.8704 -5.62007 20.8703 3.62314 -20.7895 -5.62007 -20.7893 51.8475 GPRESSAVG: 615000 -69.2876 22.0695 -5.28852 20.2174 2.91466 -21.2309 -3.69891 -22.4942 51.1515 TIMING: 615000 CPU: 1846.81, 0.00297529/step Wall: 1846.81, 0.00297529/step, 3.62407 hours remaining, 208.109375 MB of memory in use. ENERGY: 615000 728.1543 2065.4869 1934.4827 106.3225 -206210.3893 17976.6227 0.0000 0.0000 34273.1511 -149126.1691 299.3160 -183399.3202 -149034.5110 299.7142 132.6903 165.7863 557187.2636 -5.0726 -5.0738 PRESSURE: 615200 -89.6418 2.91309 -114.849 2.91312 238.36 11.2273 -114.848 11.2283 -157.547 GPRESSURE: 615200 -44.1759 26.0665 -118.795 7.95707 253.842 -56.8994 -103.969 -8.8357 -117.349 PRESSAVG: 615200 19.658 35.5438 -9.65593 35.5438 -33.2705 52.222 -9.65592 52.2219 -0.382946 GPRESSAVG: 615200 19.2889 32.8339 -10.139 37.9847 -33.5368 54.3339 -11.2238 52.2996 0.500187 TIMING: 615200 CPU: 1847.41, 0.00297209/step Wall: 1847.41, 0.00297208/step, 3.62 hours remaining, 208.109375 MB of memory in use. ENERGY: 615200 718.2838 2078.6755 1916.5303 108.0207 -205885.2661 17770.0914 0.0000 0.0000 34346.6871 -148946.9773 299.9582 -183293.6643 -148851.6187 299.5102 -2.9430 30.7723 557763.9041 -4.6651 -4.5826 PRESSURE: 615400 82.0919 111.312 -130.621 111.313 92.7278 -18.8385 -130.621 -18.8384 18.4052 GPRESSURE: 615400 175.729 136.716 -85.932 54.0459 58.0123 -8.54191 -130.679 -32.3155 66.8881 PRESSAVG: 615400 9.48313 -11.7769 4.56556 -11.7769 9.70259 13.1277 4.56554 13.1277 -21.207 GPRESSAVG: 615400 10.2039 -8.99136 5.31435 -11.6929 8.7823 11.8163 2.95426 13.3391 -21.1367 TIMING: 615400 CPU: 1848.01, 0.00300458/step Wall: 1848.01, 0.00300458/step, 3.65941 hours remaining, 208.109375 MB of memory in use. ENERGY: 615400 747.4483 2052.5406 1919.4447 102.8263 -206367.0494 17812.0292 0.0000 0.0000 34786.8476 -148945.9126 303.8022 -183732.7602 -148841.3949 300.1871 64.4083 100.2099 557599.0306 -0.6738 -0.7168 PRESSURE: 615600 0.811858 27.1445 55.2024 27.1446 128.18 62.7106 55.2031 62.7103 -144.514 GPRESSURE: 615600 9.41072 22.5657 152.812 16.3489 203.806 39.7844 31.6702 145.018 -137.046 PRESSAVG: 615600 -22.0972 40.1378 -10.6529 40.1378 -13.2848 -10.7454 -10.6528 -10.7455 21.4263 GPRESSAVG: 615600 -22.2606 40.7735 -11.8495 39.479 -11.4026 -10.814 -10.2001 -11.208 19.8152 TIMING: 615600 CPU: 1848.61, 0.00299558/step Wall: 1848.61, 0.00299558/step, 3.64829 hours remaining, 208.109375 MB of memory in use. ENERGY: 615600 753.5670 2121.1891 1920.7254 109.0604 -206075.8009 17791.9789 0.0000 0.0000 34365.3586 -149013.9215 300.1212 -183379.2800 -148916.6035 299.6065 -5.1741 25.3906 557348.1884 -4.6519 -4.6160 PRESSURE: 615800 -149.414 1.23609 14.2488 1.23682 -43.5548 91.4475 14.2494 91.4479 23.0229 GPRESSURE: 615800 -117.963 4.45436 -23.6115 -16.0906 8.0394 35.1682 19.9802 11.4296 46.4808 PRESSAVG: 615800 -7.83376 9.50107 -53.123 9.5011 20.1433 20.5921 -53.123 20.5921 19.4303 GPRESSAVG: 615800 -8.81296 6.72894 -52.3522 10.6881 20.0194 22.8236 -53.2132 17.2601 21.4089 TIMING: 615800 CPU: 1849.21, 0.0030038/step Wall: 1849.21, 0.0030038/step, 3.65813 hours remaining, 208.109375 MB of memory in use. ENERGY: 615800 745.4473 2041.5844 1930.1717 104.2832 -205950.6617 17756.7682 0.0000 0.0000 34274.4538 -149097.9531 299.3273 -183372.4069 -148992.7625 299.6676 -56.6487 -21.1477 557830.1562 10.5799 10.8718 PRESSURE: 616000 39.2619 -33.5465 33.278 -33.5456 -279.019 -92.8099 33.279 -92.8084 -48.3587 GPRESSURE: 616000 57.3939 -25.1666 38.1126 -112.601 -240.323 -25.9803 3.8047 -126.088 3.84486 PRESSAVG: 616000 19.2379 -16.3194 -10.86 -16.3193 -45.4253 44.1887 -10.8601 44.1886 8.08182 GPRESSAVG: 616000 19.2427 -15.4009 -12.0206 -18.1328 -45.291 44.498 -10.3379 45.1514 7.935 TIMING: 616000 CPU: 1849.8, 0.00299511/step Wall: 1849.8, 0.00299511/step, 3.64738 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: 616000 791.0552 2047.9696 1943.4881 113.1498 -206055.2501 17765.4827 0.0000 0.0000 34350.1057 -149043.9991 299.9880 -183394.1048 -148945.8665 299.5684 -96.0385 -59.6949 559094.3185 -6.0352 -6.0378 PRESSURE: 616200 41.609 13.6995 -21.8114 13.6984 -158.629 30.9967 -21.8121 30.9983 -329.863 GPRESSURE: 616200 24.6825 -6.71861 -6.68499 97.4002 -142.39 -34.4715 -62.4759 39.6479 -217.464 PRESSAVG: 616200 11.1349 24.6173 -28.4281 24.6172 -42.93 -63.0985 -28.4281 -63.0986 42.3701 GPRESSAVG: 616200 11.103 24.5786 -27.702 26.2584 -42.6403 -64.2123 -28.8305 -63.0985 41.9447 TIMING: 616200 CPU: 1850.41, 0.00300447/step Wall: 1850.41, 0.00300447/step, 3.65861 hours remaining, 208.109375 MB of memory in use. ENERGY: 616200 733.2127 2063.0880 1935.4391 121.9583 -205543.3184 17453.3115 0.0000 0.0000 34160.2802 -149076.0285 298.3302 -183236.3087 -148973.3197 299.2991 -148.9612 -111.7235 558595.9690 3.5250 3.4691 LDB: ============= START OF LOAD BALANCING ============== 1853.92 LDB: ============== END OF LOAD BALANCING =============== 1853.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1853.92 LDB: ============= START OF LOAD BALANCING ============== 1854.22 LDB: Largest compute 4794 load 0.027948 is 23.7% of average load 0.117888 LDB: Average compute 0.001728 is 1.5% of average load 0.117888 LDB: TIME 1854.23 LOAD: AVG 0.117888 MAX 0.20449 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.395 MB LDB: TIME 1854.23 LOAD: AVG 0.117888 MAX 0.20449 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.398 MB LDB: TIME 1854.23 LOAD: AVG 0.117888 MAX 0.20449 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.398 MB LDB: ============== END OF LOAD BALANCING =============== 1854.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1854.23 PRESSURE: 616400 -77.3652 -155.111 -7.39714 -155.111 -10.023 -30.659 -7.39786 -30.6593 -174.264 GPRESSURE: 616400 -65.2183 -77.4466 -22.0264 -168.302 7.95939 -103.804 -40.1409 -16.0617 -115.133 PRESSAVG: 616400 12.7993 1.46456 10.3686 1.46459 -17.556 -6.62134 10.3687 -6.62134 -10.149 GPRESSAVG: 616400 12.8263 0.725034 7.5179 0.931293 -18.0211 -8.98079 13.5451 -3.50427 -9.02613 TIMING: 616400 CPU: 1851.02, 0.00305055/step Wall: 1851.02, 0.00305055/step, 3.71456 hours remaining, 206.738281 MB of memory in use. ENERGY: 616400 733.0396 2066.3704 1957.0426 115.8408 -205718.3424 17568.4824 0.0000 0.0000 34130.4646 -149147.1019 298.0698 -183277.5666 -149052.1586 298.9987 -87.2173 -57.4638 557628.2050 -4.9686 -4.7403 PRESSURE: 616600 129.526 29.886 -44.5702 29.8861 21.4371 -59.9545 -44.5701 -59.9549 161.289 GPRESSURE: 616600 173.648 12.5982 20.4723 -50.6851 39.6192 -64.388 -111.89 -8.88646 195.312 PRESSAVG: 616600 -20.5483 -31.4065 -26.2119 -31.4066 21.4363 -53.5141 -26.2119 -53.5141 -48.7866 GPRESSAVG: 616600 -21.4265 -29.8104 -21.848 -31.7931 21.6043 -51.7637 -27.42 -55.6688 -48.5676 TIMING: 616600 CPU: 1851.62, 0.0030032/step Wall: 1851.62, 0.0030032/step, 3.65673 hours remaining, 206.750000 MB of memory in use. ENERGY: 616600 752.0398 2074.8804 1936.8179 105.6487 -206130.0217 17827.5490 0.0000 0.0000 34295.9345 -149137.1514 299.5149 -183433.0860 -149035.4580 299.0757 104.0841 136.1930 557641.6376 -15.9662 -16.1299 PRESSURE: 616800 244.054 41.6956 -132.244 41.6947 357.238 70.2384 -132.244 70.2398 290.895 GPRESSURE: 616800 318.088 59.0846 -114.459 28.9492 358.875 124.453 -225.462 70.3335 317.513 PRESSAVG: 616800 -2.23788 26.6822 -40.1783 26.6822 0.136409 -10.3713 -40.1783 -10.3713 43.5288 GPRESSAVG: 616800 -0.186602 24.705 -43.3166 28.352 -0.487747 -10.3543 -41.4764 -9.56395 42.3626 TIMING: 616800 CPU: 1852.21, 0.00298323/step Wall: 1852.21, 0.00298323/step, 3.63225 hours remaining, 206.750000 MB of memory in use. ENERGY: 616800 677.9405 2070.1974 1965.0039 117.0526 -206588.3575 18209.5752 0.0000 0.0000 34477.7987 -149070.7891 301.1032 -183548.5879 -148976.1115 299.8461 297.3958 331.4920 556600.4987 13.8091 13.8961 PRESSURE: 617000 -273.291 9.97264 -22.0449 9.97312 117.018 -92.55 -22.0452 -92.5499 -3.27263 GPRESSURE: 617000 -208.238 22.8353 -37.5132 -33.592 130.441 -100.856 -29.4938 -72.2227 10.315 PRESSAVG: 617000 -31.4377 -1.20295 -59.2849 -1.20302 18.7323 14.1249 -59.2848 14.1249 -16.405 GPRESSAVG: 617000 -32.3606 0.118475 -58.9771 -2.13475 19.3285 13.6733 -58.726 13.4342 -16.4649 TIMING: 617000 CPU: 1852.81, 0.00298817/step Wall: 1852.81, 0.00298817/step, 3.63809 hours remaining, 206.750000 MB of memory in use. ENERGY: 617000 774.9591 2124.1010 1937.7270 122.4802 -206322.1694 17861.6024 0.0000 0.0000 34282.7988 -149218.5010 299.4002 -183501.2997 -149117.5384 299.1196 -53.1820 -22.4942 558511.4148 -9.7035 -9.8323 PRESSURE: 617200 -76.6709 42.0281 24.8821 42.0291 -97.2419 20.569 24.8813 20.5682 -406.867 GPRESSURE: 617200 -65.141 29.4737 37.1565 -14.1368 -55.2927 -15.6203 -31.9056 75.1963 -364.702 PRESSAVG: 617200 5.09186 -3.8567 2.35692 -3.85671 66.1657 -15.4766 2.35693 -15.4765 -73.0853 GPRESSAVG: 617200 6.0622 -3.53081 4.85655 -4.76165 65.6522 -14.7778 1.50139 -14.7552 -73.2328 TIMING: 617200 CPU: 1853.41, 0.00299753/step Wall: 1853.41, 0.00299753/step, 3.64933 hours remaining, 206.750000 MB of memory in use. ENERGY: 617200 741.0918 2083.1477 1954.0090 120.3053 -205745.7584 17534.9514 0.0000 0.0000 34133.3054 -149178.9478 298.0946 -183312.2532 -149079.5058 299.4942 -193.5933 -161.7119 559366.0784 -0.6092 -0.5061 PRESSURE: 617400 -85.5077 -221.793 -58.6421 -221.793 69.3216 -27.3593 -58.6424 -27.359 195.781 GPRESSURE: 617400 -94.815 -197.335 -112.061 -299.122 108.514 39.1083 -66.3589 10.9489 281.715 PRESSAVG: 617400 -14.6171 16.289 -6.74241 16.2889 33.6186 51.7797 -6.74247 51.7797 -14.8752 GPRESSAVG: 617400 -15.8244 14.1228 -8.50008 17.8743 34.3892 52.7312 -6.12106 49.3917 -14.062 TIMING: 617400 CPU: 1854.01, 0.00297761/step Wall: 1854.01, 0.00297761/step, 3.62491 hours remaining, 206.750000 MB of memory in use. ENERGY: 617400 745.8568 2081.0493 1939.2189 104.3843 -205916.9840 17856.4837 0.0000 0.0000 34337.7007 -148852.2903 299.8797 -183189.9910 -148744.3887 299.7323 59.8650 98.4713 558244.0899 1.3755 1.5010 PRESSURE: 617600 -137.745 17.4334 -65.4072 17.4328 -12.6878 199.465 -65.4072 199.464 -207.326 GPRESSURE: 617600 -104.894 -20.4432 -68.8346 48.2899 32.7634 168.155 -108.875 194.601 -191.42 PRESSAVG: 617600 -108.251 -3.76269 10.2622 -3.76247 35.4981 0.466064 10.2621 0.466159 84.9506 GPRESSAVG: 617600 -107.077 -2.09515 10.7796 -5.77484 35.3905 -1.53018 10.1528 2.82595 83.5618 TIMING: 617600 CPU: 1854.6, 0.0029629/step Wall: 1854.6, 0.0029629/step, 3.60684 hours remaining, 206.750000 MB of memory in use. ENERGY: 617600 768.8077 2132.2715 1942.5708 118.1322 -205589.4921 17525.4707 0.0000 0.0000 34280.1878 -148822.0515 299.3774 -183102.2393 -148728.9179 300.1782 -119.2530 -87.8502 557565.9097 4.0659 3.9583 PRESSURE: 617800 -65.3269 122.336 98.3332 122.337 -282.356 -94.6915 98.3337 -94.6894 -140.161 GPRESSURE: 617800 -87.0583 62.7874 64.0211 60.3814 -198.339 2.02193 76.5726 -132.757 -99.3819 PRESSAVG: 617800 -33.6364 31.6176 -29.0608 31.6176 30.6442 4.51032 -29.061 4.51028 -15.5568 GPRESSAVG: 617800 -35.0326 31.9485 -29.5057 31.6908 30.3041 4.50896 -30.0776 4.44905 -13.7094 TIMING: 617800 CPU: 1855.19, 0.00296192/step Wall: 1855.19, 0.00296192/step, 3.60548 hours remaining, 206.750000 MB of memory in use. ENERGY: 617800 761.5988 2041.5992 1943.0801 115.1524 -205907.3461 17721.4395 0.0000 0.0000 34470.1733 -148854.3027 301.0366 -183324.4760 -148758.6937 300.9922 -162.6149 -128.2599 558587.5636 -6.1830 -6.1460 PRESSURE: 618000 -30.0384 18.0985 -79.012 18.0991 -263.82 61.5799 -79.012 61.581 -3.53642 GPRESSURE: 618000 17.0303 -35.0909 -33.1791 -40.2062 -233.796 121.956 -43.792 38.1233 18.7152 PRESSAVG: 618000 18.148 -2.67741 2.09434 -2.67737 27.6477 2.40227 2.09435 2.40236 -23.6075 GPRESSAVG: 618000 18.4819 -2.25496 2.5039 -3.28575 27.8517 2.38952 2.15586 3.61528 -24.298 TIMING: 618000 CPU: 1855.78, 0.00295833/step Wall: 1855.78, 0.00295833/step, 3.60095 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: 618000 779.5473 2087.5409 1934.2441 111.5979 -205975.2549 17696.4889 0.0000 0.0000 34378.9789 -148986.8568 300.2402 -183365.8357 -148892.1741 300.2064 -99.1315 -66.0168 557429.5789 7.3961 7.3452 PRESSURE: 618200 -76.8405 211.338 -57.6016 211.338 90.2456 80.61 -57.6024 80.6103 -107.85 GPRESSURE: 618200 -93.9982 294.017 -43.1078 203.831 86.977 112.594 -124.145 21.0203 0.964468 PRESSAVG: 618200 8.77725 -15.807 19.7339 -15.807 -4.43214 60.1083 19.734 60.1085 51.0124 GPRESSAVG: 618200 9.37432 -16.4382 17.8689 -15.6321 -5.18931 61.0147 23.0188 59.0677 51.1047 TIMING: 618200 CPU: 1856.38, 0.00297267/step Wall: 1856.38, 0.00297267/step, 3.61823 hours remaining, 206.750000 MB of memory in use. ENERGY: 618200 756.9377 2122.0668 1957.3068 128.1381 -206327.5462 17967.3076 0.0000 0.0000 34337.7580 -149058.0314 299.8802 -183395.7894 -148966.6583 300.8495 -31.4815 -2.0189 556978.2092 18.4525 18.4299 PRESSURE: 618400 194.714 -173.312 10.4879 -173.312 -70.6594 129.559 10.4885 129.56 6.06642 GPRESSURE: 618400 171.106 -171.032 -27.5315 -90.4259 -37.2472 104.145 64.5278 39.8067 92.2967 PRESSAVG: 618400 -32.8258 5.23243 41.7268 5.23236 -3.89185 10.4503 41.7267 10.4503 1.93701 GPRESSAVG: 618400 -34.0059 4.59724 41.3056 6.34892 -2.82321 10.8803 41.5719 9.35415 1.84292 TIMING: 618400 CPU: 1856.97, 0.00298669/step Wall: 1856.97, 0.00298669/step, 3.63513 hours remaining, 206.750000 MB of memory in use. ENERGY: 618400 752.3172 2104.3656 1918.2299 119.4465 -206296.1582 17876.1952 0.0000 0.0000 34499.7715 -149025.8324 301.2951 -183525.6038 -148930.4192 300.6088 43.3736 75.3852 557661.6081 -11.5936 -11.6621 PRESSURE: 618600 -234.295 -196.497 149.145 -196.498 -253.117 21.2181 149.144 21.2198 -64.6312 GPRESSURE: 618600 -173.848 -151.899 196.757 -227.428 -194.924 -49.4912 123.593 56.2482 -90.6946 PRESSAVG: 618600 -20.0592 -50.8254 75.4461 -50.8254 39.0993 -20.3084 75.4461 -20.3083 -25.1428 GPRESSAVG: 618600 -19.0258 -50.9216 76.5315 -50.8691 38.8008 -22.2415 74.5872 -19.4576 -25.5458 TIMING: 618600 CPU: 1857.57, 0.00297662/step Wall: 1857.57, 0.00297662/step, 3.62271 hours remaining, 206.750000 MB of memory in use. ENERGY: 618600 765.8527 2041.2611 1929.2989 107.0151 -205641.4903 17499.3180 0.0000 0.0000 34257.0301 -149041.7144 299.1752 -183298.7445 -148950.8030 300.4586 -184.0145 -153.1554 557580.9408 -2.0342 -1.9236 PRESSURE: 618800 -98.1639 104.192 40.8219 104.192 -12.1325 -128.478 40.8205 -128.479 22.256 GPRESSURE: 618800 -82.7207 57.6645 -8.43492 157.246 46.8986 -129.019 19.7845 -103.721 42.9315 PRESSAVG: 618800 -32.8024 -15.2163 33.1488 -15.2163 -8.14863 -4.02708 33.1488 -4.02706 67.5749 GPRESSAVG: 618800 -32.8226 -15.6005 32.502 -15.7474 -7.567 -5.70104 33.0438 -4.07852 67.2331 TIMING: 618800 CPU: 1858.16, 0.00296527/step Wall: 1858.16, 0.00296527/step, 3.60874 hours remaining, 206.750000 MB of memory in use. ENERGY: 618800 759.0730 2089.8711 1932.6411 99.9105 -206031.6459 17751.8966 0.0000 0.0000 34350.9642 -149047.2894 299.9955 -183398.2535 -148949.5742 300.3052 -29.3468 2.3698 555433.9769 8.8746 8.9478 PRESSURE: 619000 -31.071 55.0332 77.186 55.0337 35.5818 142.501 77.186 142.501 -138.406 GPRESSURE: 619000 -64.2517 25.1552 67.4261 15.4737 54.2412 101.021 210.484 70.4962 -44.6535 PRESSAVG: 619000 3.33183 -15.6558 16.0607 -15.6558 14.0006 -57.7601 16.0608 -57.7601 -1.89055 GPRESSAVG: 619000 4.49091 -14.9925 17.624 -14.9686 12.7786 -55.3548 14.9102 -57.3768 -2.1292 TIMING: 619000 CPU: 1858.76, 0.00300829/step Wall: 1858.76, 0.00300829/step, 3.66093 hours remaining, 206.750000 MB of memory in use. ENERGY: 619000 771.2150 2061.3187 1963.4232 108.7422 -205765.7315 17535.4208 0.0000 0.0000 34248.1994 -149077.4121 299.0980 -183325.6116 -148985.4746 300.1019 -44.6317 -18.2213 556689.1142 5.1473 5.0468 PRESSURE: 619200 -256.607 103.612 87.701 103.614 -375.85 6.49453 87.7022 6.49534 -360.78 GPRESSURE: 619200 -269.562 93.4835 97.7634 75.7452 -317.003 32.7739 0.489746 38.186 -300.936 PRESSAVG: 619200 7.00844 -11.2677 -6.55443 -11.2678 -18.8415 30.81 -6.55443 30.8098 -15.0204 GPRESSAVG: 619200 7.60747 -12.3351 -8.16944 -10.2917 -18.9455 30.7649 -6.58693 30.7536 -15.302 TIMING: 619200 CPU: 1859.37, 0.00300844/step Wall: 1859.37, 0.00300844/step, 3.66094 hours remaining, 206.750000 MB of memory in use. ENERGY: 619200 733.8781 2125.8489 1932.9548 121.3768 -205481.7482 17350.5396 0.0000 0.0000 34259.3210 -148957.8291 299.1952 -183217.1501 -148863.0425 299.9939 -331.0788 -295.8337 558728.9595 -8.9512 -8.8800 PRESSURE: 619400 -176.228 -45.6247 -0.764109 -45.6254 45.7009 -33.2957 -0.763011 -33.2953 -120.359 GPRESSURE: 619400 -183.054 -152.042 -83.0597 -35.6385 85.0061 -35.5623 37.0051 -20.9124 -51.9029 PRESSAVG: 619400 -0.496681 2.95765 -10.9721 2.95763 23.0876 -25.3398 -10.9721 -25.3398 -55.4033 GPRESSAVG: 619400 -1.27878 4.22861 -9.11787 0.728388 24.1966 -23.1293 -9.34674 -28.055 -55.5182 TIMING: 619400 CPU: 1859.96, 0.00298021/step Wall: 1859.96, 0.00298021/step, 3.62642 hours remaining, 206.750000 MB of memory in use. ENERGY: 619400 738.2542 2124.5972 1966.2742 120.6711 -206104.4965 17739.6661 0.0000 0.0000 34394.0571 -149020.9767 300.3719 -183415.0337 -148926.1392 299.9100 -83.6285 -49.9836 557986.6178 -10.9375 -10.8668 PRESSURE: 619600 -3.90504 -16.927 53.8539 -16.9273 -56.8881 -51.4708 53.8541 -51.4711 227.13 GPRESSURE: 619600 8.54164 27.085 90.1073 -15.7767 -18.6877 -81.3392 80.1199 -3.32705 265.874 PRESSAVG: 619600 -50.8319 43.6262 -22.7197 43.6262 -11.0256 -25.4573 -22.7197 -25.4573 93.3327 GPRESSAVG: 619600 -52.1378 45.0467 -22.3529 45.9131 -10.4402 -26.979 -25.7536 -23.6813 93.5675 TIMING: 619600 CPU: 1860.56, 0.0029937/step Wall: 1860.56, 0.0029937/step, 3.64267 hours remaining, 206.750000 MB of memory in use. ENERGY: 619600 739.3994 2097.5104 1942.3586 104.8031 -206021.4081 17680.5666 0.0000 0.0000 34501.4319 -148955.3380 301.3096 -183456.7699 -148855.3352 299.7785 55.4455 85.2425 557067.3096 10.4917 10.3298 PRESSURE: 619800 -242.747 -21.3582 -178.291 -21.3594 -313.712 153.689 -178.29 153.689 -33.07 GPRESSURE: 619800 -134.991 5.80395 -229.359 3.52372 -374.529 214.515 -64.3773 38.895 6.53683 PRESSAVG: 619800 -21.9952 -31.0709 58.896 -31.0709 -18.151 19.2168 58.896 19.2169 23.9168 GPRESSAVG: 619800 -20.0121 -31.4952 57.8474 -32.1614 -19.8352 19.9026 59.3419 19.3703 24.0605 TIMING: 619800 CPU: 1861.16, 0.00298811/step Wall: 1861.16, 0.00298811/step, 3.6357 hours remaining, 206.750000 MB of memory in use. ENERGY: 619800 765.6206 2072.3204 1944.3038 106.8905 -205695.2828 17409.1040 0.0000 0.0000 34348.1881 -149048.8554 299.9713 -183397.0435 -148942.9432 299.6606 -196.5096 -167.6610 558948.5904 -5.4098 -5.2623 PRESSURE: 620000 -56.2129 -60.5667 23.4314 -60.5676 -467.452 -61.0912 23.4317 -61.0901 -156.164 GPRESSURE: 620000 -66.1741 -32.5805 23.8943 -74.7824 -418.61 -25.1642 -25.5323 -46.7517 -101.787 PRESSAVG: 620000 21.9301 20.062 -6.16999 20.0619 -62.9893 -25.774 -6.17003 -25.774 37.423 GPRESSAVG: 620000 21.8243 18.9552 -5.62797 19.8991 -62.0835 -26.6282 -4.56895 -24.0052 36.8874 TIMING: 620000 CPU: 1861.76, 0.00299764/step Wall: 1861.76, 0.00299764/step, 3.64713 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: 620000 778.4717 2115.1604 1945.5450 110.3457 -205675.0045 17382.5455 0.0000 0.0000 34299.6945 -149043.2415 299.5478 -183342.9360 -148945.6057 300.2504 -226.6096 -195.5235 557792.2723 -1.2121 -1.1239 PRESSURE: 620200 115.433 112.488 -139.608 112.488 -151.637 73.2549 -139.607 73.2557 -97.8488 GPRESSURE: 620200 160.768 104.583 -133.193 53.8061 -112.644 71.4067 -56.5655 16.4548 -76.5137 PRESSAVG: 620200 -32.1962 -2.83857 -60.8426 -2.83866 -25.0179 -19.1193 -60.8425 -19.1195 25.5537 GPRESSAVG: 620200 -33.1849 -0.468321 -63.287 -2.14498 -24.7464 -18.434 -61.2654 -19.6062 26.0514 TIMING: 620200 CPU: 1862.35, 0.0029549/step Wall: 1862.35, 0.0029549/step, 3.59497 hours remaining, 206.750000 MB of memory in use. ENERGY: 620200 769.9539 2102.4234 1979.6374 120.9229 -206252.6315 17834.8993 0.0000 0.0000 34393.3307 -149051.4639 300.3655 -183444.7946 -148965.2638 300.1917 -44.6843 -9.4632 557183.8476 -10.5535 -10.6266 LDB: ============= START OF LOAD BALANCING ============== 1865.86 LDB: ============== END OF LOAD BALANCING =============== 1865.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1865.86 LDB: ============= START OF LOAD BALANCING ============== 1866.16 LDB: Largest compute 4800 load 0.027326 is 23.2% of average load 0.117909 LDB: Average compute 0.001729 is 1.5% of average load 0.117909 LDB: TIME 1866.16 LOAD: AVG 0.117909 MAX 0.202826 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.016 MB LDB: TIME 1866.16 LOAD: AVG 0.117909 MAX 0.202826 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.016 MB LDB: TIME 1866.16 LOAD: AVG 0.117909 MAX 0.202826 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.016 MB LDB: ============== END OF LOAD BALANCING =============== 1866.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1866.17 PRESSURE: 620400 23.0582 171.051 2.17685 171.051 164.857 44.0071 2.1774 44.0082 -74.2183 GPRESSURE: 620400 53.4981 47.68 31.6125 190.946 192.483 52.7593 -33.3974 108.596 -30.9385 PRESSAVG: 620400 18.1342 -5.55892 -36.9043 -5.55887 1.46747 -10.9591 -36.9042 -10.9591 -25.3594 GPRESSAVG: 620400 18.9576 -7.72027 -34.6891 -5.63636 0.150955 -10.7734 -36.812 -10.5034 -25.008 TIMING: 620400 CPU: 1862.95, 0.00302209/step Wall: 1862.95, 0.00302209/step, 3.67654 hours remaining, 210.335938 MB of memory in use. ENERGY: 620400 722.2342 2048.1400 1942.0507 103.2614 -205858.2501 17834.3531 0.0000 0.0000 34119.2551 -149088.9556 297.9719 -183208.2107 -148994.2898 299.9922 37.8988 71.6810 558369.9200 -1.9193 -1.9665 PRESSURE: 620600 -71.0937 28.1072 79.7663 28.1079 -231.537 3.1711 79.7656 3.17369 -36.211 GPRESSURE: 620600 -18.4206 191.916 50.5004 4.98825 -139.048 17.522 99.0757 83.7393 -77.4631 PRESSAVG: 620600 -38.1898 0.699586 10.5214 0.699543 32.2972 -2.14001 10.5215 -2.13987 -11.5191 GPRESSAVG: 620600 -39.474 1.02983 10.964 -0.015413 34.643 -1.22946 8.93558 -2.83549 -12.9407 TIMING: 620600 CPU: 1863.55, 0.00296766/step Wall: 1863.55, 0.00296766/step, 3.61016 hours remaining, 210.539062 MB of memory in use. ENERGY: 620600 766.3781 2038.8336 1948.6948 100.7605 -205772.9733 17523.4616 0.0000 0.0000 34177.7383 -149217.1064 298.4827 -183394.8447 -149117.6946 298.6929 -112.9474 -78.3106 555380.7267 -5.8039 -5.9239 PRESSURE: 620800 -310.385 -81.2297 -58.3368 -81.2296 -268.038 7.95247 -58.3371 7.95234 -52.8508 GPRESSURE: 620800 -290.105 9.26115 -100.259 -186.108 -189.976 31.5641 -109.852 -18.5918 -73.7309 PRESSAVG: 620800 -24.0276 -12.3208 44.1704 -12.321 -30.7632 -48.8265 44.1705 -48.8265 55.9942 GPRESSAVG: 620800 -23.3815 -14.3539 44.4646 -10.9555 -31.6206 -50.3775 44.3142 -48.2468 56.4264 TIMING: 620800 CPU: 1864.14, 0.00297793/step Wall: 1864.14, 0.00297793/step, 3.62249 hours remaining, 210.539062 MB of memory in use. ENERGY: 620800 743.5816 2057.0440 1912.0714 114.6130 -205522.3100 17380.1802 0.0000 0.0000 34188.5868 -149126.2330 298.5774 -183314.8198 -149026.9944 299.2154 -210.4244 -184.6039 558913.4212 0.4012 0.4748 PRESSURE: 621000 -107.439 -63.4083 -54.3798 -63.408 116.132 -56.4988 -54.3799 -56.4975 149.668 GPRESSURE: 621000 -13.9884 -115.284 -128.541 -1.48062 141.581 -82.8639 -20.1787 -22.139 137.184 PRESSAVG: 621000 -23.5084 -4.03521 16.658 -4.03526 11.0083 18.1402 16.658 18.1402 41.77 GPRESSAVG: 621000 -23.007 -2.72467 14.9122 -4.36025 11.5093 18.5383 15.8027 17.5608 41.0962 TIMING: 621000 CPU: 1864.74, 0.00296382/step Wall: 1864.74, 0.00296382/step, 3.60516 hours remaining, 210.539062 MB of memory in use. ENERGY: 621000 744.5917 2068.7139 1920.2626 121.3188 -205962.9930 17790.6853 0.0000 0.0000 34239.4980 -149077.9227 299.0221 -183317.4208 -148981.2362 299.4726 52.7870 88.2591 556729.1373 9.7566 9.8661 PRESSURE: 621200 37.6596 -50.9359 122.053 -50.9355 5.534 -44.0797 122.052 -44.0791 -178.999 GPRESSURE: 621200 38.7084 -7.50804 21.4451 -78.3514 64.7441 -152.169 135.916 -28.1661 -143.26 PRESSAVG: 621200 15.9741 -17.6804 0.510402 -17.6804 -39.6749 5.50701 0.510408 5.50711 29.3029 GPRESSAVG: 621200 15.3746 -16.8057 -1.06765 -20.6092 -39.6683 5.04756 3.47589 6.44702 30.1567 TIMING: 621200 CPU: 1865.33, 0.00296068/step Wall: 1865.33, 0.00296068/step, 3.60117 hours remaining, 210.539062 MB of memory in use. ENERGY: 621200 731.6360 2093.1201 1956.9488 116.8803 -205926.2298 17511.2947 0.0000 0.0000 34597.2344 -148919.1156 302.1463 -183516.3499 -148824.0654 300.2303 -45.2685 -13.2692 556271.1457 1.8674 1.9543 PRESSURE: 621400 -24.7738 82.7369 59.0321 82.737 -150.272 -31.3501 59.0317 -31.3493 223.427 GPRESSURE: 621400 65.069 105.954 75.6676 23.8568 -104.083 39.9784 150.811 -131.118 193.036 PRESSAVG: 621400 35.958 -34.0044 31.5741 -34.0045 -61.318 -10.7015 31.5741 -10.7014 40.0387 GPRESSAVG: 621400 37.1506 -34.2705 34.7998 -33.7108 -62.137 -9.42732 30.6116 -10.5011 39.9297 TIMING: 621400 CPU: 1865.92, 0.0029666/step Wall: 1865.92, 0.0029666/step, 3.60821 hours remaining, 210.539062 MB of memory in use. ENERGY: 621400 780.9519 2036.6087 1963.0193 118.2334 -206158.7801 17811.6493 0.0000 0.0000 34514.3147 -148934.0028 301.4221 -183448.3175 -148837.5824 300.4973 16.1271 51.3408 555744.9904 4.8929 4.9811 PRESSURE: 621600 146.804 -39.8003 8.85156 -39.8003 -108.19 -1.48585 8.85109 -1.48697 37.3322 GPRESSURE: 621600 202.464 6.50034 -19.355 -123.703 -123.346 12.9685 -47.0285 -24.6814 102.373 PRESSAVG: 621600 39.184 -2.34407 26.0085 -2.34411 -58.9921 43.453 26.0085 43.4528 1.05662 GPRESSAVG: 621600 38.7509 -4.40078 24.6535 -1.42184 -58.3239 41.9806 24.6056 40.7421 0.850391 TIMING: 621600 CPU: 1866.52, 0.00297814/step Wall: 1866.52, 0.00297814/step, 3.62208 hours remaining, 210.539062 MB of memory in use. ENERGY: 621600 732.4857 2127.5691 1934.1686 129.4403 -206253.5106 17911.6707 0.0000 0.0000 34315.1418 -149103.0343 299.6827 -183418.1761 -149007.3078 300.1741 25.3154 60.4971 557144.8412 -6.2505 -6.2409 PRESSURE: 621800 -262.174 48.1699 -148.048 48.1693 -18.4988 155.84 -148.049 155.84 13.6664 GPRESSURE: 621800 -203.655 -1.43351 -152.065 94.8116 -2.08144 61.4612 -127.428 191.289 42.2413 PRESSAVG: 621800 27.7896 -14.3848 20.6648 -14.3848 -53.0803 31.8676 20.6647 31.8676 22.2052 GPRESSAVG: 621800 27.4756 -13.9022 20.0116 -12.9339 -52.4025 32.828 21.0963 34.4242 21.5674 TIMING: 621800 CPU: 1867.11, 0.00297191/step Wall: 1867.11, 0.00297191/step, 3.61434 hours remaining, 210.539062 MB of memory in use. ENERGY: 621800 796.8957 2092.3475 1944.9242 105.8654 -206093.2077 17719.2050 0.0000 0.0000 34429.3201 -149004.6497 300.6798 -183433.9698 -148909.7780 300.2262 -89.0022 -54.4983 557400.2990 -1.0285 -1.1199 PRESSURE: 622000 -88.0844 -158.372 -103 -158.372 -158.177 -32.4554 -103 -32.4546 -119.433 GPRESSURE: 622000 -37.7151 -199.532 -38.9078 -18.6039 -157.708 -129.547 -100.346 75.7635 -73.3037 PRESSAVG: 622000 20.8636 19.3085 -50.993 19.3084 -1.59532 30.3631 -50.9931 30.3632 23.6204 GPRESSAVG: 622000 20.7387 18.4761 -48.869 19.5419 -2.96774 28.3415 -53.4751 30.2634 25.5658 TIMING: 622000 CPU: 1867.71, 0.00297687/step Wall: 1867.71, 0.00297687/step, 3.62021 hours remaining, 210.539062 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: 622000 760.3154 2025.1928 1912.6097 125.5607 -205911.7470 17673.7770 0.0000 0.0000 34313.4492 -149100.8424 299.6679 -183414.2915 -149001.5507 300.3603 -121.8980 -89.5756 558402.2298 14.2962 14.4456 PRESSURE: 622200 192.177 65.3812 6.51146 65.3802 -34.2149 -182.485 6.51027 -182.483 -254.127 GPRESSURE: 622200 191.217 -24.1168 54.2858 5.27725 13.5182 -143.212 -19.697 -158.698 -204.018 PRESSAVG: 622200 28.6085 48.6307 -38.3973 48.6307 23.4317 -14.9483 -38.3973 -14.9482 -37.1499 GPRESSAVG: 622200 29.3946 49.1859 -39.2532 48.0485 24.7467 -13.1909 -35.031 -13.9569 -39.1018 TIMING: 622200 CPU: 1868.3, 0.00297868/step Wall: 1868.3, 0.00297868/step, 3.62224 hours remaining, 210.675781 MB of memory in use. ENERGY: 622200 755.7277 2057.0410 1915.4806 110.3886 -205921.4429 17805.5827 0.0000 0.0000 34311.1752 -148966.0472 299.6480 -183277.2224 -148872.8858 300.0711 -32.0550 0.2391 559776.2273 4.9634 5.0132 PRESSURE: 622400 4.42501 90.1177 8.36688 90.119 148.046 -16.613 8.36736 -16.6142 27.734 GPRESSURE: 622400 41.4779 64.378 -23.1081 74.1239 208.066 -3.92728 20.2349 -23.8867 22.1156 PRESSAVG: 622400 52.8801 -0.356938 5.55468 -0.356916 10.0717 -50.6623 5.55471 -50.6623 -52.274 GPRESSAVG: 622400 52.2325 0.533525 5.60225 -2.77149 10.5114 -52.684 4.49277 -51.329 -51.9362 TIMING: 622400 CPU: 1868.9, 0.00298636/step Wall: 1868.9, 0.00298636/step, 3.63141 hours remaining, 210.675781 MB of memory in use. ENERGY: 622400 744.5527 2043.7641 1920.2525 118.7298 -206119.3896 17922.9525 0.0000 0.0000 34524.6390 -148844.4990 301.5123 -183369.1380 -148753.3349 299.5956 60.0683 90.5533 559284.5960 3.5593 3.6026 PRESSURE: 622600 64.3029 -9.48517 -28.4198 -9.4853 108.535 63.3854 -28.4224 63.3875 -117.522 GPRESSURE: 622600 94.1943 -23.3449 -2.94334 31.937 113.567 37.5496 -18.1574 74.0248 -57.1967 PRESSAVG: 622600 9.52514 55.9931 -24.2707 55.9931 29.7325 -23.1587 -24.2707 -23.1587 -66.5335 GPRESSAVG: 622600 9.0971 53.2223 -24.7872 57.1779 28.1961 -19.3613 -24.2632 -25.4329 -64.8777 TIMING: 622600 CPU: 1869.49, 0.0029767/step Wall: 1869.49, 0.0029767/step, 3.6195 hours remaining, 210.675781 MB of memory in use. ENERGY: 622600 686.9525 2088.1451 1913.0206 123.5214 -206082.6429 17783.4180 0.0000 0.0000 34406.7718 -149080.8135 300.4829 -183487.5853 -148980.4265 299.8287 18.4386 50.1882 559136.3914 -9.0919 -9.1948 PRESSURE: 622800 -185.05 7.84572 -35.18 7.84519 -413.949 -119.796 -35.18 -119.796 -218.994 GPRESSURE: 622800 -193.252 -15.3889 -1.31674 89.4642 -350.615 -63.3447 25.8664 -149.86 -169.147 PRESSAVG: 622800 79.8726 -49.2858 45.8701 -49.2859 -10.6072 -9.03307 45.8701 -9.03308 -29.1583 GPRESSAVG: 622800 79.7527 -46.2912 46.6335 -49.8406 -10.4713 -11.0811 45.5884 -7.29323 -29.3245 TIMING: 622800 CPU: 1870.09, 0.00299777/step Wall: 1870.09, 0.00299777/step, 3.64495 hours remaining, 210.675781 MB of memory in use. ENERGY: 622800 771.0254 2068.6508 1928.3802 115.2298 -205868.9921 17412.5142 0.0000 0.0000 34435.9250 -149137.2667 300.7375 -183573.1917 -149034.8106 299.9228 -272.6645 -237.6714 558844.4085 13.3690 13.3190 PRESSURE: 623000 -0.612059 1.91642 43.4815 1.91792 -113.814 81.6613 43.483 81.6612 5.49928 GPRESSURE: 623000 -4.95181 81.6754 74.2844 30.2748 -59.5303 151.38 50.4517 34.6785 55.7258 PRESSAVG: 623000 21.5646 -12.9105 -37.4983 -12.9104 -11.4919 1.88339 -37.4983 1.88338 -30.1022 GPRESSAVG: 623000 21.8995 -14.1314 -38.0911 -12.018 -11.3625 -0.372357 -37.8653 3.39935 -30.2537 TIMING: 623000 CPU: 1870.69, 0.0029841/step Wall: 1870.69, 0.0029841/step, 3.62817 hours remaining, 210.675781 MB of memory in use. ENERGY: 623000 728.5575 2131.5160 1944.4134 107.2939 -206309.4413 17911.0354 0.0000 0.0000 34285.7275 -149200.8976 299.4258 -183486.6251 -149103.4385 299.4193 -36.3091 -2.9187 558632.7394 -6.6765 -6.5722 PRESSURE: 623200 194.475 -38.3832 -21.9789 -38.3824 -155.152 -61.5463 -21.98 -61.5457 81.7057 GPRESSURE: 623200 213.299 -18.9684 117.141 -100.268 -151.198 -107.5 -136.883 -109.611 143.794 PRESSAVG: 623200 -2.75281 -7.21496 9.62649 -7.2149 18.6078 22.9462 9.62635 22.9463 -39.1304 GPRESSAVG: 623200 -2.84628 -7.24039 9.59814 -8.06025 18.7146 23.9427 11.1612 21.4062 -38.4863 TIMING: 623200 CPU: 1871.29, 0.00298777/step Wall: 1871.29, 0.00298777/step, 3.63246 hours remaining, 210.675781 MB of memory in use. ENERGY: 623200 731.4752 2100.8123 1915.2778 99.4920 -206351.8102 18031.6431 0.0000 0.0000 34344.7163 -149128.3935 299.9409 -183473.1098 -149031.8329 299.7583 40.3428 68.6318 556583.2101 -7.7585 -7.5393 PRESSURE: 623400 -38.9667 124.427 38.9992 124.426 -282.518 49.3505 39.0007 49.3496 -175.024 GPRESSURE: 623400 -42.8088 180.944 -24.6984 182.414 -205.108 10.8163 58.8656 43.6975 -171.22 PRESSAVG: 623400 -22.9217 -55.7211 -29.716 -55.7211 15.6459 -12.2634 -29.716 -12.2635 -9.08287 GPRESSAVG: 623400 -23.027 -57.0389 -30.9698 -55.5015 16.0814 -14.0476 -29.588 -9.63501 -9.65064 TIMING: 623400 CPU: 1871.89, 0.00302171/step Wall: 1871.89, 0.00302171/step, 3.67356 hours remaining, 210.675781 MB of memory in use. ENERGY: 623400 736.1042 2065.8032 1956.8801 115.3092 -205383.8643 17268.3427 0.0000 0.0000 34363.4462 -148877.9786 300.1045 -183241.4248 -148785.8845 299.8650 -165.5029 -139.7122 556848.4696 -5.4529 -5.5321 PRESSURE: 623600 -161.418 56.9821 -182.13 56.981 -142.948 241.481 -182.131 241.48 -20.4513 GPRESSURE: 623600 -126.794 -43.4849 -135.074 16.6305 -106.717 246.331 -245.909 322.959 9.4493 PRESSAVG: 623600 -25.8951 -9.76677 -26.2586 -9.76677 44.9953 107.743 -26.2586 107.743 -18.4304 GPRESSAVG: 623600 -25.8937 -9.01927 -25.527 -9.96171 45.3058 111.552 -28.516 105.31 -18.211 TIMING: 623600 CPU: 1872.49, 0.00300971/step Wall: 1872.49, 0.00300971/step, 3.6588 hours remaining, 210.675781 MB of memory in use. ENERGY: 623600 741.1328 2147.3709 1936.3891 107.2233 -205715.6462 17358.3378 0.0000 0.0000 34618.5531 -148806.6391 302.3324 -183425.1923 -148705.8874 300.3934 -108.2727 -74.6873 557619.8453 0.2233 0.4004 PRESSURE: 623800 -174.189 76.2003 -92.1171 76.2013 -19.3191 6.33587 -92.1177 6.33679 -108.006 GPRESSURE: 623800 -137.559 86.8165 -135.66 22.0249 23.5887 -6.22457 -31.8259 78.2175 -89.7493 PRESSAVG: 623800 52.3394 -16.1043 -53.2931 -16.1043 29.2151 113.395 -53.293 113.395 -28.7943 GPRESSAVG: 623800 52.7692 -14.4454 -50.5208 -17.0257 29.3844 113.214 -52.8195 112.673 -29.4637 TIMING: 623800 CPU: 1873.09, 0.00298504/step Wall: 1873.09, 0.00298504/step, 3.62865 hours remaining, 210.675781 MB of memory in use. ENERGY: 623800 761.8162 2066.2729 1961.9211 123.8335 -205479.8940 17400.4719 0.0000 0.0000 34341.2259 -148824.3525 299.9105 -183165.5785 -148723.5843 300.5888 -100.5048 -67.9067 556852.5843 17.5867 17.5633 PRESSURE: 624000 -114.361 -199.524 69.3558 -199.524 14.6351 57.6813 69.3556 57.6797 175.435 GPRESSURE: 624000 -41.6141 -201.593 94.3076 -111.659 27.1809 7.42176 92.8447 86.0508 192.001 PRESSAVG: 624000 -0.933433 -21.9791 -18.1263 -21.9791 75.2012 86.3919 -18.1263 86.3919 -29.9207 GPRESSAVG: 624000 -1.93768 -20.9771 -20.4707 -22.6973 75.7902 83.566 -18.9893 86.6921 -29.4651 TIMING: 624000 CPU: 1873.7, 0.00304277/step Wall: 1873.7, 0.00304277/step, 3.69866 hours remaining, 210.675781 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: 624000 743.2112 2057.4286 1931.4072 118.2299 -206026.1056 17715.2327 0.0000 0.0000 34672.0281 -148788.5679 302.7994 -183460.5959 -148686.2327 300.8057 25.2364 59.1894 557423.3192 14.7824 14.7958 PRESSURE: 624200 -141.73 -56.6673 222.166 -56.6682 183.762 -60.2258 222.166 -60.2258 -26.934 GPRESSURE: 624200 -118.496 -28.4205 211.462 -58.6799 187.014 9.2875 219.109 -60.4048 35.8981 PRESSAVG: 624200 -61.3225 -35.8173 18.9302 -35.8173 25.5763 24.5582 18.9302 24.5581 73.7874 GPRESSAVG: 624200 -59.5834 -38.2759 18.7473 -31.361 24.4003 26.9372 22.4663 25.038 73.3742 TIMING: 624200 CPU: 1874.31, 0.00303072/step Wall: 1874.31, 0.00303072/step, 3.68384 hours remaining, 210.675781 MB of memory in use. ENERGY: 624200 762.6970 2100.4927 1925.1300 102.9419 -206163.7131 17888.0171 0.0000 0.0000 34557.8270 -148826.6074 301.8021 -183384.4345 -148727.2151 301.1403 5.0328 34.8053 557193.2034 12.6804 12.7304 LDB: ============= START OF LOAD BALANCING ============== 1877.82 LDB: ============== END OF LOAD BALANCING =============== 1877.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1877.83 LDB: ============= START OF LOAD BALANCING ============== 1878.13 LDB: Largest compute 4794 load 0.027289 is 23.1% of average load 0.118062 LDB: Average compute 0.001732 is 1.5% of average load 0.118062 LDB: TIME 1878.13 LOAD: AVG 0.118062 MAX 0.204105 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.805 MB LDB: TIME 1878.13 LOAD: AVG 0.118062 MAX 0.204105 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.805 MB LDB: TIME 1878.13 LOAD: AVG 0.118062 MAX 0.204105 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.805 MB LDB: ============== END OF LOAD BALANCING =============== 1878.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1878.14 PRESSURE: 624400 139.993 237.768 97.0186 237.768 -103.685 -22.7742 97.0187 -22.7732 536.917 GPRESSURE: 624400 162.819 283.353 167.213 135.529 -54.5899 -105.398 77.9158 -21.9289 570.625 PRESSAVG: 624400 1.87432 68.66 31.5663 68.66 -49.5061 30.6827 31.5663 30.6828 41.0494 GPRESSAVG: 624400 0.699978 70.8542 31.3105 65.9851 -49.3932 31.0004 30.6495 30.7022 42.5642 TIMING: 624400 CPU: 1874.92, 0.00306822/step Wall: 1874.92, 0.00306822/step, 3.72925 hours remaining, 207.382812 MB of memory in use. ENERGY: 624400 709.4328 2000.2921 1953.0945 132.6185 -205972.6049 17809.9036 0.0000 0.0000 34455.2645 -148911.9989 300.9064 -183367.2635 -148809.2827 300.3386 191.0749 226.2849 557105.6509 -2.1941 -2.0430 PRESSURE: 624600 -16.9111 143.049 -114.864 143.048 -116.233 125.268 -114.864 125.268 32.2908 GPRESSURE: 624600 14.8084 54.6919 -102.529 213.533 -72.617 139.122 -71.0608 196.564 58.0817 PRESSAVG: 624600 -17.8843 11.9817 7.52968 11.9818 -26.4177 30.1385 7.52968 30.1385 25.8692 GPRESSAVG: 624600 -17.1724 9.72569 8.82036 12.7221 -27.1153 28.1529 7.20845 30.0657 25.6437 TIMING: 624600 CPU: 1875.52, 0.00298556/step Wall: 1875.52, 0.00298556/step, 3.62862 hours remaining, 207.585938 MB of memory in use. ENERGY: 624600 749.3927 2082.6115 1951.7469 113.2984 -206049.1466 17921.6178 0.0000 0.0000 34277.6929 -148952.7864 299.3556 -183230.4793 -148861.0092 300.5478 -33.6176 0.0910 558673.7649 -6.1442 -6.2147 PRESSURE: 624800 177.898 -182.23 25.4815 -182.23 -241.621 84.4639 25.4814 84.4648 -174.744 GPRESSURE: 624800 162.102 -244.57 39.7338 -53.0202 -166.435 113.557 15.2855 23.0761 -155.998 PRESSAVG: 624800 -5.14043 -2.69412 -1.81007 -2.69416 -17.3666 28.2001 -1.81001 28.2 -4.53682 GPRESSAVG: 624800 -5.24766 -0.917109 -1.85786 -1.99936 -16.0357 29.2375 -2.44263 27.8697 -5.51118 TIMING: 624800 CPU: 1876.12, 0.00298981/step Wall: 1876.12, 0.00298981/step, 3.63361 hours remaining, 207.585938 MB of memory in use. ENERGY: 624800 757.9303 2056.2339 1959.2574 111.0016 -205836.7670 17556.6197 0.0000 0.0000 34399.7296 -148995.9946 300.4214 -183395.7242 -148895.7368 300.6255 -79.4889 -53.4436 557234.8450 -9.0146 -8.9315 PRESSURE: 625000 37.4359 -210.102 28.1448 -210.102 53.0364 99.3376 28.1462 99.3384 -130.67 GPRESSURE: 625000 35.2435 -228.077 112.297 -187.446 79.6604 -5.25405 -4.71469 107.456 -44.5042 PRESSAVG: 625000 77.1071 17.6596 20.514 17.6595 -16.15 65.4501 20.514 65.4502 -54.3578 GPRESSAVG: 625000 76.7094 18.9068 20.6619 17.0002 -15.7283 64.5104 20.745 67.1728 -54.2922 TIMING: 625000 CPU: 1876.72, 0.00300216/step Wall: 1876.72, 0.00300216/step, 3.64846 hours remaining, 207.585938 MB of memory in use. ENERGY: 625000 777.4787 2014.5250 1945.1812 116.7377 -206056.2595 17930.0327 0.0000 0.0000 34236.8239 -149035.4804 298.9987 -183272.3042 -148944.5442 300.1852 -13.3991 23.4666 557100.0399 2.1997 2.2296 PRESSURE: 625200 -235.355 118.343 131.714 118.344 -330.781 86.875 131.715 86.8752 -94.1855 GPRESSURE: 625200 -188.186 75.3901 125.68 108.744 -351.88 22.5672 122.812 99.3415 -22.427 PRESSAVG: 625200 -48.7027 3.91534 15.7935 3.91543 -12.9483 56.5887 15.7936 56.5889 0.226727 GPRESSAVG: 625200 -47.6014 2.92637 14.9821 5.89249 -14.5725 56.0616 16.4396 55.9594 0.542282 TIMING: 625200 CPU: 1877.32, 0.00299793/step Wall: 1877.32, 0.00299793/step, 3.64315 hours remaining, 207.585938 MB of memory in use. ENERGY: 625200 737.3148 2081.5117 1937.0934 111.6295 -205938.1463 17559.9040 0.0000 0.0000 34323.0052 -149187.6878 299.7513 -183510.6930 -149089.3863 299.5242 -220.1071 -187.4976 558005.9074 -20.4747 -20.5439 PRESSURE: 625400 6.70795 -42.8517 18.1133 -42.8522 52.9498 -314.963 18.113 -314.96 -105.61 GPRESSURE: 625400 41.5636 -52.8778 40.6019 -60.7459 51.8801 -257.996 -20.5352 -247.084 -42.2156 PRESSAVG: 625400 14.9855 -24.8117 16.4517 -24.8117 -35.5809 -4.19458 16.4518 -4.19447 44.6951 GPRESSAVG: 625400 12.1224 -26.2785 18.0516 -27.3011 -33.4244 -4.34873 14.8631 -5.15943 45.0759 TIMING: 625400 CPU: 1877.91, 0.0029853/step Wall: 1877.91, 0.0029853/step, 3.62764 hours remaining, 207.585938 MB of memory in use. ENERGY: 625400 741.8061 2123.3198 1947.8576 124.6855 -205659.9978 17706.6879 0.0000 0.0000 33918.5145 -149097.1264 296.2188 -183015.6409 -149000.8533 298.9913 -15.3174 17.0760 557718.2451 8.0332 7.9246 PRESSURE: 625600 -111.987 13.6797 -36.7222 13.6795 -157.91 147.283 -36.7214 147.282 -94.5248 GPRESSURE: 625600 -141.255 57.7878 -34.2249 31.8323 -111.521 124.59 16.7819 172.905 -17.197 PRESSAVG: 625600 -45.512 -35.2103 70.3451 -35.2103 -18.7352 43.8166 70.3451 43.8166 36.3862 GPRESSAVG: 625600 -44.8659 -37.1884 69.2575 -32.9583 -19.4718 44.8877 71.5818 43.6914 36.0307 TIMING: 625600 CPU: 1878.51, 0.00300272/step Wall: 1878.51, 0.00300272/step, 3.64863 hours remaining, 207.585938 MB of memory in use. ENERGY: 625600 734.9023 2093.9949 1956.3044 115.6130 -205668.6414 17537.1354 0.0000 0.0000 34254.9800 -148975.7116 299.1573 -183230.6916 -148880.9300 299.4682 -121.4740 -89.9912 557890.6304 -9.2870 -9.4357 PRESSURE: 625800 320.734 35.4896 -17.8132 35.4894 235.997 46.9959 -17.8135 46.9956 60.2003 GPRESSURE: 625800 367.629 -13.7673 15.5057 127.22 290.096 -1.20379 -31.5862 73.5028 63.1095 PRESSAVG: 625800 19.2248 2.15945 12.6522 2.15944 33.9635 -4.36363 12.6522 -4.36361 -67.6931 GPRESSAVG: 625800 19.5973 4.62469 11.7712 -0.840944 33.5592 -3.26023 12.623 -4.65203 -67.7899 TIMING: 625800 CPU: 1879.11, 0.00298081/step Wall: 1879.11, 0.00298081/step, 3.62185 hours remaining, 207.585938 MB of memory in use. ENERGY: 625800 737.9541 2065.6467 1908.5344 94.3066 -206323.4222 18127.8564 0.0000 0.0000 34418.5068 -148970.6172 300.5854 -183389.1239 -148879.6440 299.7490 205.6436 240.2781 556834.9870 -4.8349 -4.8778 PRESSURE: 626000 43.6439 -4.79611 -33.9305 -4.79644 151.756 -17.8467 -33.9308 -17.847 130.505 GPRESSURE: 626000 151.336 -23.8846 -154.134 -39.9628 155.902 10.206 29.0717 -79.9015 113.542 PRESSAVG: 626000 10.3439 -36.3296 15.5559 -36.3297 -40.1141 -15.5406 15.5559 -15.5407 59.3405 GPRESSAVG: 626000 10.5506 -36.6115 16.4864 -37.0912 -40.6051 -17.3836 15.8187 -12.3275 59.7696 TIMING: 626000 CPU: 1879.71, 0.00299388/step Wall: 1879.71, 0.00299388/step, 3.63756 hours remaining, 207.585938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 626000 722.6129 2026.1842 1927.2301 115.2623 -206219.4733 17954.6792 0.0000 0.0000 34331.9326 -149141.5720 299.8293 -183473.5046 -149037.7929 299.6640 108.6351 140.2600 558225.5071 9.8568 9.9050 PRESSURE: 626200 -107.585 -98.0078 75.4699 -98.0075 58.6501 -98.0147 75.4705 -98.0138 32.1262 GPRESSURE: 626200 -61.7527 -97.4454 50.7733 -163.526 136.64 -40.892 162.688 -106.51 12.4092 PRESSAVG: 626200 62.1708 -15.757 11.1351 -15.757 -55.4511 35.0174 11.1351 35.0174 -11.4336 GPRESSAVG: 626200 62.269 -15.6245 10.7087 -15.7922 -56.3823 37.0748 11.8688 31.8986 -10.8324 TIMING: 626200 CPU: 1880.3, 0.0029795/step Wall: 1880.3, 0.0029795/step, 3.61993 hours remaining, 207.585938 MB of memory in use. ENERGY: 626200 714.2903 2092.7212 1925.5768 106.1529 -205803.8917 17570.1291 0.0000 0.0000 34437.9644 -148957.0570 300.7553 -183395.0214 -148857.8693 299.0630 -5.6028 29.0989 556405.2360 -1.5713 -1.6486 PRESSURE: 626400 -157.861 89.8194 54.4807 89.8188 -238.865 43.5751 54.48 43.5742 -49.6347 GPRESSURE: 626400 -84.6134 104.418 67.1469 92.0789 -200.142 8.94909 11.3679 120.187 -66.1991 PRESSAVG: 626400 13.6642 -45.1966 25.5612 -45.1965 -54.6963 -27.7427 25.5612 -27.7428 56.6258 GPRESSAVG: 626400 12.5444 -46.4837 27.9099 -43.8661 -53.2883 -30.7739 25.0408 -26.3954 56.3366 TIMING: 626400 CPU: 1880.9, 0.00297953/step Wall: 1880.9, 0.00297953/step, 3.6198 hours remaining, 207.585938 MB of memory in use. ENERGY: 626400 778.8880 2093.5631 1938.3912 104.8566 -205988.1924 17686.2140 0.0000 0.0000 34387.2707 -148999.0088 300.3126 -183386.2795 -148907.5815 299.5975 -148.7868 -116.9848 556456.9831 5.1979 5.1975 PRESSURE: 626600 369.04 39.0077 1.085 39.0077 117.535 210.537 1.0853 210.537 33.7616 GPRESSURE: 626600 359.209 41.0736 17.0687 31.4033 185.389 153.946 -5.87879 234.399 78.3336 PRESSAVG: 626600 -13.3032 19.4441 17.1014 19.444 19.6881 16.5337 17.1014 16.5337 13.4456 GPRESSAVG: 626600 -13.3927 20.4657 16.0388 19.1293 18.4892 16.7338 16.26 17.9583 14.4512 TIMING: 626600 CPU: 1881.49, 0.00297251/step Wall: 1881.49, 0.0029725/step, 3.6111 hours remaining, 207.585938 MB of memory in use. ENERGY: 626600 718.3033 2101.7217 1933.8198 108.7899 -206535.0362 18172.9720 0.0000 0.0000 34436.0154 -149063.4141 300.7383 -183499.4295 -148971.9497 300.5813 173.4457 207.6437 555492.0479 6.6102 6.5159 PRESSURE: 626800 175.416 98.5167 -32.9188 98.5161 -1.24005 -65.5733 -32.9187 -65.5753 -25.5401 GPRESSURE: 626800 204.36 86.7781 -16.4574 83.1479 -10.5275 -37.155 -74.6918 -71.6167 37.4242 PRESSAVG: 626800 -52.2088 23.4543 -63.9422 23.4542 17.9569 32.7602 -63.9423 32.7602 29.6489 GPRESSAVG: 626800 -50.3964 23.2334 -67.6218 22.6329 17.0762 32.7793 -62.9444 32.1422 28.4443 TIMING: 626800 CPU: 1882.09, 0.00296585/step Wall: 1882.09, 0.00296585/step, 3.60285 hours remaining, 207.585938 MB of memory in use. ENERGY: 626800 735.0734 2086.1946 1966.4242 119.2445 -206436.7332 17980.5448 0.0000 0.0000 34450.7692 -149098.4826 300.8671 -183549.2518 -149003.8679 300.0252 49.5454 77.0855 556772.2633 -1.5343 -1.6253 PRESSURE: 627000 -428.538 75.8389 -59.7971 75.8386 -213.57 -182.388 -59.7971 -182.389 -153.222 GPRESSURE: 627000 -393.027 81.7913 -117.957 95.0832 -192.312 -153.837 -1.617 -157.617 -105.028 PRESSAVG: 627000 33.0591 60.6617 -12.4444 60.6616 -53.55 -0.545992 -12.4444 -0.546018 -3.87367 GPRESSAVG: 627000 31.2902 60.7058 -10.5266 60.0155 -51.9791 2.77198 -12.2365 -3.28232 -3.93763 TIMING: 627000 CPU: 1882.68, 0.00297544/step Wall: 1882.68, 0.00297544/step, 3.61434 hours remaining, 207.585938 MB of memory in use. ENERGY: 627000 763.2088 2132.6772 1926.4900 107.7312 -205868.4113 17552.1899 0.0000 0.0000 33996.8647 -149389.2495 296.9031 -183386.1142 -149289.7874 299.5877 -265.1098 -230.1223 559421.5960 -8.1215 -8.2088 PRESSURE: 627200 -62.0298 -28.8185 96.0167 -28.8181 28.7418 189.235 96.0175 189.235 -256.248 GPRESSURE: 627200 -25.7007 63.9943 155.181 7.69733 71.4673 239.729 56.356 126.19 -239.75 PRESSAVG: 627200 -27.5506 36.7818 -5.05511 36.7818 55.0967 12.7753 -5.05518 12.7753 -39.851 GPRESSAVG: 627200 -27.7706 37.4049 -4.83018 37.2157 54.2151 11.4484 -6.15894 16.0874 -39.493 TIMING: 627200 CPU: 1883.28, 0.00298129/step Wall: 1883.28, 0.00298129/step, 3.62128 hours remaining, 207.585938 MB of memory in use. ENERGY: 627200 774.8322 2067.6302 1956.3399 95.8342 -206313.6289 17775.2216 0.0000 0.0000 34308.5201 -149335.2507 299.6248 -183643.7709 -149245.6530 298.7650 -96.5118 -64.6610 557821.2093 -4.1016 -4.3495 PRESSURE: 627400 78.0228 118.635 -34.819 118.635 160.156 -75.3717 -34.82 -75.3724 -70.7358 GPRESSURE: 627400 153.96 43.3891 50.6309 95.1231 165.371 -120.168 -151.114 -47.5557 -46.2112 PRESSAVG: 627400 7.86312 21.9189 3.51409 21.9189 47.067 28.4448 3.51412 28.4447 -66.8565 GPRESSAVG: 627400 7.05755 22.4189 3.52336 21.8672 47.4771 26.3312 3.94016 26.9204 -67.0034 TIMING: 627400 CPU: 1883.88, 0.0030051/step Wall: 1883.88, 0.0030051/step, 3.65002 hours remaining, 207.585938 MB of memory in use. ENERGY: 627400 715.9883 2108.4346 1925.4148 112.0902 -206145.4522 17734.1149 0.0000 0.0000 34314.8073 -149234.6021 299.6797 -183549.4094 -149141.1454 299.2487 55.8145 91.0402 557294.8486 -3.9755 -4.1562 PRESSURE: 627600 -63.6256 -114.103 -182.007 -114.103 46.7992 25.9459 -182.008 25.9462 -194.51 GPRESSURE: 627600 -28.7327 -93.3003 -213.755 -172.548 126.106 51.7111 -126.298 11.1446 -204.753 PRESSAVG: 627600 11.0715 14.2701 -2.23721 14.2701 13.5957 39.403 -2.23729 39.4029 -39.0891 GPRESSAVG: 627600 12.0455 13.1402 -2.75034 13.9636 11.9252 39.391 -2.51479 39.7554 -39.2753 TIMING: 627600 CPU: 1884.48, 0.00298621/step Wall: 1884.48, 0.00298621/step, 3.62692 hours remaining, 207.585938 MB of memory in use. ENERGY: 627600 758.4262 2120.5966 1932.1383 112.7945 -206509.6697 17873.1524 0.0000 0.0000 34307.9109 -149404.6507 299.6195 -183712.5616 -149311.1120 299.3933 -70.4455 -35.7931 556761.6856 -4.8073 -5.1015 PRESSURE: 627800 211.752 164.954 15.1954 164.954 -126.29 56.8677 15.1956 56.8673 138.72 GPRESSURE: 627800 246.127 117.81 20.196 189.702 -65.8601 80.2926 -26.217 56.3922 133.089 PRESSAVG: 627800 33.1975 -11.1902 -29.9107 -11.1902 7.0704 9.11564 -29.9106 9.11571 -3.93886 GPRESSAVG: 627800 32.2783 -12.2521 -33.0398 -9.6818 7.66931 11.2655 -27.3184 9.8039 -3.66818 TIMING: 627800 CPU: 1885.07, 0.00297803/step Wall: 1885.07, 0.00297803/step, 3.61681 hours remaining, 207.585938 MB of memory in use. ENERGY: 627800 711.1324 2078.5708 1918.6908 115.6704 -206329.6943 18018.6098 0.0000 0.0000 34264.8217 -149222.1983 299.2432 -183487.0200 -149127.4941 299.4158 74.7274 104.4520 557105.8238 12.1097 12.0932 PRESSURE: 628000 58.1304 -20.7566 -115.303 -20.7568 -285.024 -102.845 -115.304 -102.846 21.3747 GPRESSURE: 628000 26.3815 -37.0543 -10.0645 52.258 -243.333 -136.445 -180.485 -60.7692 94.3275 PRESSAVG: 628000 46.3603 17.9291 -52.014 17.9292 -7.23651 -17.2047 -52.014 -17.2047 -24.1411 GPRESSAVG: 628000 46.2171 16.3983 -49.3108 18.7692 -6.9442 -16.6916 -53.7469 -17.955 -24.2252 TIMING: 628000 CPU: 1885.67, 0.00299799/step Wall: 1885.67, 0.00299799/step, 3.64089 hours remaining, 207.585938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 628000 721.9505 2087.7558 1933.0261 121.9753 -206157.2524 17655.7597 0.0000 0.0000 34326.7972 -149309.9879 299.7845 -183636.7851 -149206.5078 299.2234 -68.5061 -40.8746 556418.4641 4.9942 5.0159 PRESSURE: 628200 -144.741 -41.0894 -18.4451 -41.0912 -92.6286 219.119 -18.4451 219.118 -7.75856 GPRESSURE: 628200 -108.029 55.4417 7.03895 -34.6384 -64.8382 198.302 -38.6592 118.876 49.4015 PRESSAVG: 628200 -34.3903 19.6529 -11.6895 19.6529 29.081 -18.7555 -11.6896 -18.7554 -12.9078 GPRESSAVG: 628200 -34.2453 21.0202 -10.333 18.142 28.49 -21.1804 -13.4507 -16.5439 -12.1753 TIMING: 628200 CPU: 1886.26, 0.0029576/step Wall: 1886.26, 0.0029576/step, 3.59167 hours remaining, 207.585938 MB of memory in use. ENERGY: 628200 776.7560 2071.7589 1945.0840 109.2953 -206398.1306 17856.3658 0.0000 0.0000 34330.9032 -149307.9674 299.8203 -183638.8706 -149206.8828 299.4603 -81.7093 -41.1554 556855.2978 -6.0724 -5.9769 LDB: ============= START OF LOAD BALANCING ============== 1889.78 LDB: ============== END OF LOAD BALANCING =============== 1889.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1889.78 LDB: ============= START OF LOAD BALANCING ============== 1890.08 LDB: Largest compute 4794 load 0.028889 is 24.5% of average load 0.117898 LDB: Average compute 0.001727 is 1.5% of average load 0.117898 LDB: TIME 1890.08 LOAD: AVG 0.117898 MAX 0.203982 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.406 MB LDB: TIME 1890.08 LOAD: AVG 0.117898 MAX 0.203982 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.609 MB LDB: TIME 1890.08 LOAD: AVG 0.117898 MAX 0.203982 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.609 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1890.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1890.09 PRESSURE: 628400 164.078 101.133 -9.00621 101.132 18.4719 82.7572 -9.00634 82.7579 -272.534 GPRESSURE: 628400 130.493 120.366 60.5619 32.0547 29.6683 73.2681 0.402339 60.126 -148.956 PRESSAVG: 628400 67.079 -5.69514 -11.7459 -5.69517 -16.2654 12.8959 -11.7459 12.8959 -20.3535 GPRESSAVG: 628400 67.6283 -5.57837 -12.5223 -6.91067 -14.9559 14.777 -11.1498 11.3992 -21.7592 TIMING: 628400 CPU: 1886.87, 0.0030354/step Wall: 1886.87, 0.0030354/step, 3.68598 hours remaining, 207.191406 MB of memory in use. ENERGY: 628400 754.0619 2102.1416 1912.9806 114.1332 -206481.0956 17808.0966 0.0000 0.0000 34454.5097 -149335.1720 300.8998 -183789.6818 -149230.4916 299.3172 -29.9949 3.7352 557050.0621 10.1534 10.3044 PRESSURE: 628600 -10.4714 2.16178 50.454 2.15933 274.943 95.8741 50.4529 95.8766 30.2898 GPRESSURE: 628600 7.5934 -8.65703 41.7273 24.3103 319.5 54.9758 1.95503 84.6966 54.3631 PRESSAVG: 628600 21.8995 26.8311 -2.91849 26.831 -6.95953 45.8962 -2.91845 45.8962 4.38972 GPRESSAVG: 628600 21.6936 27.2926 -2.04931 27.2041 -7.46209 43.8152 -3.57854 44.7772 5.04182 TIMING: 628600 CPU: 1887.46, 0.00296625/step Wall: 1887.46, 0.00296625/step, 3.60185 hours remaining, 207.394531 MB of memory in use. ENERGY: 628600 737.2529 2103.2062 1970.7329 107.7006 -206344.2658 17710.3335 0.0000 0.0000 34277.8864 -149437.1532 299.3573 -183715.0396 -149342.8522 299.1459 98.2539 127.1521 555413.0426 6.4432 6.4244 PRESSURE: 628800 -129.928 25.3 -109.48 25.3007 166.454 -42.666 -109.48 -42.6641 -247.724 GPRESSURE: 628800 -74.0757 8.55839 -110.463 9.98587 134.485 -42.5283 -114.298 -25.2949 -172.934 PRESSAVG: 628800 -52.7203 -3.4136 -22.4069 -3.41366 65.868 -59.4674 -22.4068 -59.4673 -0.192817 GPRESSAVG: 628800 -51.9727 -1.70537 -22.8569 -5.04163 65.3464 -57.9015 -21.0647 -60.6525 -1.04765 TIMING: 628800 CPU: 1888.06, 0.00298424/step Wall: 1888.06, 0.00298424/step, 3.62353 hours remaining, 207.394531 MB of memory in use. ENERGY: 628800 730.4058 2130.9570 1969.8318 116.4568 -206439.1287 17775.7627 0.0000 0.0000 34224.0716 -149491.6431 298.8873 -183715.7147 -149402.6548 299.0671 -70.3993 -37.5082 556721.3771 4.3183 4.1087 PRESSURE: 629000 -71.0665 69.8681 -79.8289 69.8679 108.811 -17.9279 -79.8302 -17.927 -44.6371 GPRESSURE: 629000 -83.0354 123.42 -27.636 90.1054 141.288 -92.7219 -45.5435 37.2712 43.2388 PRESSAVG: 629000 14.8093 24.2332 -25.4153 24.2332 -2.80133 15.8585 -25.4153 15.8585 -10.1437 GPRESSAVG: 629000 13.8971 19.4835 -24.116 28.3895 -2.31266 15.3967 -27.2114 17.9867 -9.77616 TIMING: 629000 CPU: 1888.66, 0.00298365/step Wall: 1888.66, 0.00298365/step, 3.62265 hours remaining, 207.394531 MB of memory in use. ENERGY: 629000 768.2232 2079.5364 1930.0594 97.3140 -206492.0604 17840.4090 0.0000 0.0000 34201.5095 -149575.0089 298.6903 -183776.5184 -149482.6317 298.7442 -2.2974 33.8305 556901.8310 0.6214 0.6028 PRESSURE: 629200 -87.9056 27.9355 15.7214 27.9359 308.58 212.765 15.7212 212.763 -162.944 GPRESSURE: 629200 -43.8872 71.1798 -59.9084 69.312 317.519 216.234 49.8255 106.068 -113.536 PRESSAVG: 629200 -15.9301 -9.01226 -23.5016 -9.01219 64.7564 -3.22159 -23.5015 -3.22154 -40.971 GPRESSAVG: 629200 -15.6612 -5.43699 -23.8749 -9.88171 63.9294 -3.83177 -21.0804 -4.93802 -40.8569 TIMING: 629200 CPU: 1889.26, 0.00299161/step Wall: 1889.26, 0.00299161/step, 3.63215 hours remaining, 207.394531 MB of memory in use. ENERGY: 629200 756.8691 2155.6991 1895.7665 108.7472 -206802.7869 18045.4277 0.0000 0.0000 34204.2887 -149635.9886 298.7146 -183840.2773 -149547.3988 298.3668 19.2436 53.3651 556123.9158 2.6184 2.4704 PRESSURE: 629400 152.481 96.1539 125.681 96.1544 -34.0235 96.2935 125.683 96.2938 -20.9015 GPRESSURE: 629400 267.862 45.2531 56.0155 134.658 -35.7044 50.3065 166.068 117.933 -35.8891 PRESSAVG: 629400 54.8344 17.7087 22.7272 17.7087 26.6797 -14.6016 22.7272 -14.6015 -71.1341 GPRESSAVG: 629400 54.3163 15.5982 22.1839 17.3676 27.4443 -12.5998 21.9052 -13.2605 -71.6175 TIMING: 629400 CPU: 1889.86, 0.00301644/step Wall: 1889.86, 0.00301644/step, 3.66212 hours remaining, 207.394531 MB of memory in use. ENERGY: 629400 726.3870 2083.9074 1930.5358 116.4592 -206690.2437 18082.2494 0.0000 0.0000 34034.7685 -149715.9365 297.2341 -183750.7049 -149627.8812 297.8293 32.5186 65.4230 558094.6770 3.4600 3.3810 PRESSURE: 629600 -171.58 -137.397 -73.573 -137.398 -155.244 -72.8781 -73.5733 -72.8788 -193.917 GPRESSURE: 629600 -129.258 -77.6371 -117.203 -187.972 -123.599 -61.0444 -13.7047 -46.1872 -169.373 PRESSAVG: 629600 72.8862 14.2376 54.4611 14.2376 -34.2632 -4.06952 54.4612 -4.06961 -26.8987 GPRESSAVG: 629600 72.4034 15.442 55.6693 12.9519 -33.4777 -4.19804 52.8234 -5.5169 -27.112 TIMING: 629600 CPU: 1890.46, 0.00300939/step Wall: 1890.46, 0.00300939/step, 3.6534 hours remaining, 207.394531 MB of memory in use. ENERGY: 629600 771.2591 2076.8130 1952.8753 112.4739 -206373.3748 17653.4351 0.0000 0.0000 34143.4235 -149663.0949 298.1830 -183806.5184 -149567.7183 297.9419 -173.5806 -140.7436 557634.5574 3.9081 3.9379 PRESSURE: 629800 36.7816 -16.8968 53.3627 -16.8973 148.046 -87.0878 53.3625 -87.0893 -80.1202 GPRESSURE: 629800 131.72 -7.11463 31.1633 -30.2456 123.43 -7.31118 66.7216 -196.85 -49.9689 PRESSAVG: 629800 -54.3184 -6.58621 -29.4069 -6.58627 28.1284 0.55154 -29.4069 0.551399 28.8597 GPRESSAVG: 629800 -52.5549 -6.9234 -29.5146 -6.45613 27.3051 0.804135 -28.7075 2.43876 28.2673 TIMING: 629800 CPU: 1891.07, 0.00302716/step Wall: 1891.07, 0.00302716/step, 3.67481 hours remaining, 207.394531 MB of memory in use. ENERGY: 629800 768.3232 2097.6305 1927.5991 102.5602 -206753.9948 17932.1891 0.0000 0.0000 34289.2862 -149636.4065 299.4569 -183925.6926 -149534.4369 297.6433 34.9023 68.3938 555895.4132 0.8899 1.0058 PRESSURE: 630000 162.63 -22.8655 -54.844 -22.8649 -4.23247 -91.3164 -54.8434 -91.3168 26.6102 GPRESSURE: 630000 187.025 -75.2979 -181.105 -6.33797 47.0662 -96.1091 16.9802 -156.293 39.515 PRESSAVG: 630000 -36.6458 -115.094 -26.9704 -115.094 -35.5615 -11.463 -26.9704 -11.4632 20.5635 GPRESSAVG: 630000 -37.8296 -116.725 -26.2778 -114.524 -36.0074 -12.2486 -27.0532 -13.0919 21.9984 TIMING: 630000 CPU: 1891.67, 0.00303739/step Wall: 1891.67, 0.00303739/step, 3.68705 hours remaining, 207.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 630000 771.6933 2074.5157 1947.4919 123.9924 -206640.3595 17987.7195 0.0000 0.0000 33905.3946 -149829.5522 296.1042 -183734.9468 -149725.4281 297.2491 61.6693 91.2020 556632.0004 -17.2146 -17.2795 PRESSURE: 630200 87.7869 7.1933 17.0629 7.19256 -13.7285 116.956 17.0617 116.956 -197.417 GPRESSURE: 630200 63.1912 -71.1939 -43.4447 12.1082 90.5211 94.2435 142.859 158.34 -188.802 PRESSAVG: 630200 -23.1597 -48.4328 2.01083 -48.4328 -30.4845 24.2375 2.01084 24.2374 36.2092 GPRESSAVG: 630200 -23.2073 -46.4316 0.483353 -49.2501 -29.2628 25.8743 1.76999 24.2409 34.4784 TIMING: 630200 CPU: 1892.28, 0.00302147/step Wall: 1892.28, 0.00302147/step, 3.66756 hours remaining, 207.394531 MB of memory in use. ENERGY: 630200 785.0308 2065.4797 1950.7408 117.0512 -206732.3725 17856.6460 0.0000 0.0000 34222.9657 -149734.4584 298.8777 -183957.4241 -149640.8393 298.4562 -41.1196 -11.6967 556769.5253 -5.8116 -5.9973 PRESSURE: 630400 132.509 160.86 67.0896 160.861 120.394 10.5232 67.092 10.5223 184.971 GPRESSURE: 630400 99.5189 113.313 57.8352 192.287 209.527 39.8764 65.3633 35.6166 228.333 PRESSAVG: 630400 56.7052 5.28083 -59.2621 5.28105 -58.2627 50.3828 -59.2621 50.3826 22.5515 GPRESSAVG: 630400 56.1106 4.58992 -60.2641 5.65251 -57.8807 49.525 -56.901 49.2738 23.1089 TIMING: 630400 CPU: 1892.88, 0.00302873/step Wall: 1892.88, 0.00302873/step, 3.67621 hours remaining, 207.394531 MB of memory in use. ENERGY: 630400 729.8505 2088.8150 1922.1317 124.8161 -206523.9561 17941.9717 0.0000 0.0000 34072.8368 -149643.5344 297.5666 -183716.3711 -149549.3639 298.6557 145.9581 179.1262 554914.7592 6.9980 7.1130 PRESSURE: 630600 -74.3504 22.876 -100.565 22.8738 -38.6162 0.098592 -100.565 0.0971277 14.8048 GPRESSURE: 630600 -6.03325 10.7154 -170.155 -6.27596 -33.2823 0.342017 -52.2271 -27.5182 38.9552 PRESSAVG: 630600 22.46 -7.79005 -25.208 -7.79006 -24.0577 46.1881 -25.208 46.188 8.56689 GPRESSAVG: 630600 24.0063 -7.75293 -23.959 -6.80543 -26.0309 45.6559 -27.7861 47.4984 9.60611 TIMING: 630600 CPU: 1893.48, 0.00299897/step Wall: 1893.48, 0.00299897/step, 3.63992 hours remaining, 207.394531 MB of memory in use. ENERGY: 630600 797.8465 2105.6013 1924.6939 105.3796 -206661.1806 17899.6900 0.0000 0.0000 34256.0565 -149571.9129 299.1667 -183827.9694 -149477.5455 297.8141 -32.7206 -0.1201 556043.6556 2.3231 2.5272 PRESSURE: 630800 2.49653 64.9077 79.3224 64.9068 -1.33605 -54.6193 79.322 -54.6197 204.914 GPRESSURE: 630800 -20.055 132.088 88.8035 93.4151 83.2165 -90.8585 99.0564 10.5006 228.909 PRESSAVG: 630800 18.0271 -30.5292 -12.1957 -30.5293 -42.5787 -8.30809 -12.1957 -8.3081 46.2351 GPRESSAVG: 630800 17.5511 -30.0687 -11.7792 -30.6125 -42.121 -9.04857 -10.9988 -7.93702 45.9649 TIMING: 630800 CPU: 1894.08, 0.00298051/step Wall: 1894.08, 0.00298051/step, 3.61735 hours remaining, 207.394531 MB of memory in use. ENERGY: 630800 724.8529 2081.1936 1912.4272 99.0306 -206592.1111 17991.1416 0.0000 0.0000 34183.2580 -149600.2072 298.5309 -183783.4652 -149505.1752 298.3976 68.6917 97.3569 556430.8881 7.2278 7.1317 PRESSURE: 631000 -143.117 -44.503 64.6774 -44.5035 -194.874 -19.3913 64.6789 -19.3924 -97.8601 GPRESSURE: 631000 -65.993 -188.171 -7.21061 -82.1261 -204.472 -35.8093 103.704 -28.7927 -67.847 PRESSAVG: 631000 74.5313 -93.1612 -22.519 -93.1612 -5.19149 70.0872 -22.5191 70.0872 -52.1986 GPRESSAVG: 631000 74.2998 -93.4788 -22.7143 -93.7891 -3.72324 71.0759 -22.936 68.2989 -52.8573 TIMING: 631000 CPU: 1894.68, 0.00301112/step Wall: 1894.68, 0.00301112/step, 3.65432 hours remaining, 207.394531 MB of memory in use. ENERGY: 631000 757.0934 2110.7433 1946.5942 116.1491 -206110.7236 17701.1697 0.0000 0.0000 33947.5274 -149531.4465 296.4722 -183478.9740 -149434.8795 298.0622 -145.2836 -112.7705 559776.4172 5.7137 5.9064 PRESSURE: 631200 -138.922 -119.536 9.31076 -119.535 -260.413 -4.99242 9.31114 -4.9935 18.5797 GPRESSURE: 631200 -144.244 -126.23 9.95507 -149.979 -182.561 -61.8491 -49.1465 -67.893 29.9959 PRESSAVG: 631200 47.9446 -4.67234 -5.15487 -4.67234 -40.6025 22.0415 -5.15482 22.0415 -42.3904 GPRESSAVG: 631200 47.6428 -5.2137 -4.90823 -4.96992 -41.3696 21.6868 -3.88136 23.251 -41.6668 TIMING: 631200 CPU: 1895.28, 0.00300453/step Wall: 1895.28, 0.00300453/step, 3.64616 hours remaining, 207.394531 MB of memory in use. ENERGY: 631200 771.7724 2045.3313 1911.7945 121.2943 -206398.8439 17646.2435 0.0000 0.0000 34335.4718 -149566.9361 299.8602 -183902.4079 -149469.8607 298.1764 -126.9184 -98.9365 556560.0597 -11.6828 -11.7979 PRESSURE: 631400 21.684 133.036 -122.608 133.036 -5.59545 -119.438 -122.609 -119.437 203.81 GPRESSURE: 631400 93.7194 184.189 -67.333 67.1204 31.9002 -94.6828 -76.8574 -144.45 199.608 PRESSAVG: 631400 54.6561 10.5065 -27.1675 10.5065 -52.776 20.0321 -27.1676 20.0321 29.8838 GPRESSAVG: 631400 54.6678 9.83449 -26.811 9.25113 -52.4106 20.4875 -28.2381 21.7336 29.3099 TIMING: 631400 CPU: 1895.88, 0.00297415/step Wall: 1895.88, 0.00297415/step, 3.60913 hours remaining, 207.394531 MB of memory in use. ENERGY: 631400 746.2495 2055.6319 1907.3903 112.3854 -206620.1743 17862.0822 0.0000 0.0000 34243.0043 -149693.4308 299.0527 -183936.4351 -149587.9234 298.5332 73.2995 108.4092 556893.8745 10.5879 10.5223 PRESSURE: 631600 -313.476 7.02378 123.944 7.0235 -422.14 97.136 123.944 97.1362 181.569 GPRESSURE: 631600 -287.362 14.1075 77.0453 122.851 -394.549 145.504 87.0483 31.3723 214.328 PRESSAVG: 631600 -11.6834 -24.7681 -38.6709 -24.7682 -41.3067 -43.4582 -38.6709 -43.4582 39.5369 GPRESSAVG: 631600 -11.3329 -22.9524 -38.962 -22.5792 -41.3049 -42.3337 -39.2993 -45.7448 39.4678 TIMING: 631600 CPU: 1896.48, 0.00299287/step Wall: 1896.48, 0.00299287/step, 3.63168 hours remaining, 207.394531 MB of memory in use. ENERGY: 631600 775.1344 2102.6997 1908.2785 121.1317 -206521.1470 17700.5254 0.0000 0.0000 34235.9108 -149677.4665 298.9907 -183913.3773 -149579.3009 297.7388 -184.6823 -155.8609 556801.2072 -4.4844 -4.3900 PRESSURE: 631800 -129.832 -85.1466 -64.3168 -85.1463 -91.7052 -215.638 -64.318 -215.64 258.556 GPRESSURE: 631800 -101.558 -139.274 -85.3907 -109.057 27.2787 -148.72 -68.6571 -185.965 212.182 PRESSAVG: 631800 -42.3405 18.1722 -11.2393 18.1722 14.2231 -16.4799 -11.2393 -16.4798 8.80439 GPRESSAVG: 631800 -41.0416 19.4996 -12.5783 15.1491 14.1027 -19.7161 -11.2843 -16.4379 7.59744 TIMING: 631800 CPU: 1897.07, 0.00299338/step Wall: 1897.07, 0.00299338/step, 3.63213 hours remaining, 207.394531 MB of memory in use. ENERGY: 631800 740.3461 2029.0902 1913.7642 111.9259 -206163.6199 17610.5737 0.0000 0.0000 34047.6105 -149710.3093 297.3463 -183757.9198 -149605.6938 298.0645 12.3398 45.9676 555258.8636 -6.4377 -6.4471 PRESSURE: 632000 29.9095 85.0683 171.691 85.0693 -162.672 -14.7086 171.69 -14.7073 74.4252 GPRESSURE: 632000 76.2579 25.4778 174.74 5.65223 -111.461 -15.0465 93.5876 8.79029 74.9456 PRESSAVG: 632000 -45.1633 17.8974 33.7831 17.8973 32.8324 -13.7208 33.7831 -13.721 4.98701 GPRESSAVG: 632000 -45.7201 14.3604 34.303 20.7603 32.6158 -12.3836 35.5787 -13.1651 5.79472 TIMING: 632000 CPU: 1897.67, 0.00299873/step Wall: 1897.67, 0.00299873/step, 3.63846 hours remaining, 207.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 632000 763.9982 2116.6426 1915.2502 114.2480 -206100.8518 17672.1550 0.0000 0.0000 33979.0965 -149539.4613 296.7479 -183518.5578 -149445.2350 298.6837 -19.4457 13.2476 555743.6751 -2.4480 -2.4365 PRESSURE: 632200 -239.561 10.6535 -49.7975 10.6535 -193.19 -44.9818 -49.7976 -44.9814 51.0714 GPRESSURE: 632200 -219.609 -0.700306 -40.6085 37.0405 -190.333 13.3125 -40.8783 28.8337 128.778 PRESSAVG: 632200 17.1817 -16.326 64.8754 -16.326 29.7914 -1.80339 64.8754 -1.80331 -4.93339 GPRESSAVG: 632200 16.934 -14.678 65.2019 -16.8261 28.5779 0.313217 63.2034 -0.808931 -3.86837 TIMING: 632200 CPU: 1898.27, 0.00298726/step Wall: 1898.27, 0.00298726/step, 3.62438 hours remaining, 207.394531 MB of memory in use. ENERGY: 632200 756.7718 2110.2091 1925.0925 113.9849 -206089.4873 17620.6265 0.0000 0.0000 34015.4330 -149547.3694 297.0652 -183562.8025 -149447.3130 298.5891 -127.2266 -93.7214 557304.1422 14.0132 13.8812 LDB: ============= START OF LOAD BALANCING ============== 1901.79 LDB: ============== END OF LOAD BALANCING =============== 1901.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1901.79 LDB: ============= START OF LOAD BALANCING ============== 1902.1 LDB: Largest compute 4794 load 0.031318 is 26.6% of average load 0.117899 LDB: Average compute 0.001735 is 1.5% of average load 0.117899 LDB: TIME 1902.1 LOAD: AVG 0.117899 MAX 0.2049 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.57 MB LDB: TIME 1902.1 LOAD: AVG 0.117899 MAX 0.2049 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.777 MB LDB: TIME 1902.1 LOAD: AVG 0.117899 MAX 0.2049 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.777 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1902.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1902.11 PRESSURE: 632400 -281.053 29.7187 101.625 29.7176 -45.0416 -13.8205 101.625 -13.8195 -21.0731 GPRESSURE: 632400 -281.081 -2.01369 99.7883 101.303 -11.829 -6.35036 134.115 -52.6669 53.5818 PRESSAVG: 632400 -24.7097 8.43058 7.98383 8.43055 -28.344 -4.10054 7.98374 -4.10052 57.9756 GPRESSAVG: 632400 -24.8531 8.29786 9.00271 9.5667 -26.7556 -6.32625 9.17592 -3.0825 56.8862 TIMING: 632400 CPU: 1898.89, 0.00309524/step Wall: 1898.89, 0.00309524/step, 3.75521 hours remaining, 207.253906 MB of memory in use. ENERGY: 632400 753.5137 2101.0955 1925.4732 119.1766 -206243.3279 17710.8846 0.0000 0.0000 34014.1071 -149619.0773 297.0537 -183633.1844 -149517.9354 298.7222 -115.7227 -79.7761 557799.0444 1.6406 1.7592 PRESSURE: 632600 27.3053 -32.914 180.157 -32.9137 -385.616 30.6288 180.158 30.6278 -179.42 GPRESSURE: 632600 98.7707 -106.02 155.482 -83.5142 -330.74 -41.5762 125.605 81.3248 -227.16 PRESSAVG: 632600 -10.4129 3.87359 31.77 3.87361 -17.998 1.38395 31.77 1.38393 13.8844 GPRESSAVG: 632600 -10.4034 3.96363 30.4421 1.65365 -19.4513 2.81248 31.9341 1.45311 14.9423 TIMING: 632600 CPU: 1899.5, 0.0030435/step Wall: 1899.5, 0.0030435/step, 3.69228 hours remaining, 207.253906 MB of memory in use. ENERGY: 632600 752.7081 2076.6354 1934.4666 106.8151 -206122.0847 17429.6904 0.0000 0.0000 34298.3165 -149523.4526 299.5357 -183821.7691 -149426.6654 298.5327 -179.2436 -153.0428 557383.7747 -4.8422 -4.9708 PRESSURE: 632800 205.639 114.92 8.02137 114.919 230.199 -211.97 8.02002 -211.97 9.75184 GPRESSURE: 632800 281.076 90.5978 5.62657 98.3226 292.024 -224.614 73.4742 -170.381 -31.5057 PRESSAVG: 632800 91.112 -17.1639 -12.6471 -17.1639 -24.759 -34.7312 -12.6471 -34.7312 -27.5053 GPRESSAVG: 632800 91.6417 -18.4753 -12.8167 -15.5794 -25.1562 -35.4887 -12.1512 -36.5884 -27.6819 TIMING: 632800 CPU: 1900.1, 0.00302347/step Wall: 1900.1, 0.00302347/step, 3.6678 hours remaining, 207.253906 MB of memory in use. ENERGY: 632800 713.2585 2152.1297 1929.6163 105.2344 -206441.5938 18008.2696 0.0000 0.0000 34079.2775 -149453.8078 297.6228 -183533.0853 -149362.7072 298.0518 148.5298 180.5313 555551.1140 12.9493 12.9345 PRESSURE: 633000 161.281 -12.9678 -64.1689 -12.9679 86.3053 -107.918 -64.1702 -107.92 233.381 GPRESSURE: 633000 232.497 44.7721 -38.4751 -37.1302 137.587 -114.017 -33.8728 -32.5753 216.055 PRESSAVG: 633000 -43.889 10.5188 11.1027 10.5187 76.8042 -50.3095 11.1027 -50.3094 18.7323 GPRESSAVG: 633000 -43.9912 13.6066 14.8605 8.23269 77.9645 -50.9429 7.88858 -50.2867 17.8904 TIMING: 633000 CPU: 1900.7, 0.00297796/step Wall: 1900.7, 0.00297796/step, 3.61243 hours remaining, 207.253906 MB of memory in use. ENERGY: 633000 736.0084 2086.7884 1925.7476 98.0842 -206544.6564 18093.5574 0.0000 0.0000 34156.2443 -149448.2262 298.2950 -183604.4705 -149353.6078 298.2922 160.3224 195.3799 555819.0372 17.2158 17.2879 PRESSURE: 633200 189.451 134.431 -77.7611 134.431 118.129 -13.34 -77.7611 -13.3406 55.8792 GPRESSURE: 633200 162.545 102.406 -62.9658 144.969 236.47 -37.5804 -72.2833 96.5295 65.5387 PRESSAVG: 633200 -78.5448 36.4056 -59.3043 36.4055 15.9858 -10.5521 -59.3044 -10.5522 68.7001 GPRESSAVG: 633200 -78.267 35.4981 -61.0108 37.62 15.5364 -10.4305 -56.6625 -8.21284 69.0493 TIMING: 633200 CPU: 1901.29, 0.00296029/step Wall: 1901.29, 0.00296029/step, 3.59084 hours remaining, 207.253906 MB of memory in use. ENERGY: 633200 735.5148 2099.5252 1938.7294 123.4708 -206433.4294 17898.1618 0.0000 0.0000 34031.6267 -149606.4008 297.2067 -183638.0274 -149509.8722 298.2039 121.1532 154.8515 555574.3067 2.0471 2.1062 PRESSURE: 633400 -117.678 -120.045 33.8562 -120.045 181.65 -49.6687 33.8559 -49.6687 93.7262 GPRESSURE: 633400 -140.696 -69.8473 52.3947 -195.374 210.304 48.3469 -54.8771 -159.062 184.017 PRESSAVG: 633400 -49.7011 -11.4469 -17.2736 -11.4469 64.7808 -24.7402 -17.2737 -24.7401 25.7455 GPRESSAVG: 633400 -52.4807 -13.6245 -19.3399 -11.0718 66.8087 -22.9324 -17.2809 -28.1719 26.1201 TIMING: 633400 CPU: 1901.88, 0.00295372/step Wall: 1901.88, 0.00295372/step, 3.58269 hours remaining, 207.253906 MB of memory in use. ENERGY: 633400 758.3553 2013.9085 1933.9454 117.3622 -206227.1266 17782.1699 0.0000 0.0000 34171.8781 -149449.5072 298.4315 -183621.3853 -149353.3141 298.3202 52.5662 84.5414 556677.8460 13.6084 13.4827 PRESSURE: 633600 -4.99884 5.7389 25.0438 5.73822 8.50981 -98.8864 25.0439 -98.8885 177.829 GPRESSURE: 633600 -38.4733 -24.6112 65.4906 -67.5505 101.763 -186.361 -20.681 -17.8753 199.006 PRESSAVG: 633600 4.34572 -10.0303 2.6229 -10.0303 26.4375 20.9116 2.62291 20.9115 -15.4212 GPRESSAVG: 633600 6.80501 -7.92275 5.25037 -12.1853 25.1382 20.3312 0.440677 23.6822 -17.0145 TIMING: 633600 CPU: 1902.47, 0.00295463/step Wall: 1902.47, 0.00295463/step, 3.58364 hours remaining, 207.253906 MB of memory in use. ENERGY: 633600 750.2798 2118.0696 1925.7827 115.5428 -206445.1858 18020.9635 0.0000 0.0000 34151.0572 -149363.4902 298.2497 -183514.5475 -149266.3563 298.2228 60.4467 87.4319 558649.0886 5.1207 4.9762 PRESSURE: 633800 20.4753 4.70693 0.800271 4.70672 106.005 50.3156 0.800258 50.3151 -243.615 GPRESSURE: 633800 -10.6689 -43.6775 -11.4643 115.859 173.917 28.4393 -16.7017 3.38951 -189.324 PRESSAVG: 633800 -14.5091 -22.1588 -13.6117 -22.1589 44.2443 41.62 -13.6117 41.62 44.2463 GPRESSAVG: 633800 -15.14 -23.6343 -14.0949 -20.5955 44.8588 41.2721 -11.9668 40.7162 44.3734 TIMING: 633800 CPU: 1903.07, 0.00300301/step Wall: 1903.07, 0.00300301/step, 3.64215 hours remaining, 207.253906 MB of memory in use. ENERGY: 633800 759.7097 2075.3879 1887.5373 111.0217 -206090.9416 17950.3954 0.0000 0.0000 34101.0650 -149205.8246 297.8131 -183306.8896 -149109.7737 298.9451 -39.0449 -8.6919 559280.3455 24.6605 24.6974 PRESSURE: 634000 86.8342 79.4188 205.681 79.4188 -72.3027 -141.756 205.682 -141.757 226.026 GPRESSURE: 634000 142.635 46.674 218.597 61.7628 -68.2103 -141.809 198.835 -138.938 256.371 PRESSAVG: 634000 -4.63516 -46.9298 16.6855 -46.9298 37.8679 -46.4569 16.6855 -46.457 15.6778 GPRESSAVG: 634000 -4.73588 -48.8227 15.8479 -45.3642 36.6265 -48.6753 16.1158 -45.6087 17.5825 TIMING: 634000 CPU: 1903.67, 0.00299489/step Wall: 1903.67, 0.00299489/step, 3.63213 hours remaining, 207.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 634000 727.2909 2108.8031 1923.7740 117.9316 -206044.2447 17983.0865 0.0000 0.0000 34104.6215 -149078.7370 297.8441 -183183.3586 -148988.2474 298.7130 80.1857 110.2651 558217.5152 16.3035 16.4910 PRESSURE: 634200 51.2512 -153.164 76.7563 -153.165 -165.98 154.567 76.7572 154.565 281.527 GPRESSURE: 634200 18.8244 -182.933 111.292 -106.586 -55.6877 178.841 81.4464 175.922 310.157 PRESSAVG: 634200 51.7101 -17.658 18.3509 -17.658 -68.1485 -6.6685 18.3508 -6.66848 39.6886 GPRESSAVG: 634200 51.1708 -18.5159 19.2706 -18.1565 -67.2512 -4.09737 17.5167 -6.92556 39.0479 TIMING: 634200 CPU: 1904.27, 0.00298598/step Wall: 1904.27, 0.00298598/step, 3.62116 hours remaining, 207.253906 MB of memory in use. ENERGY: 634200 760.4365 2054.6559 1900.0937 112.0990 -206498.1722 18066.7560 0.0000 0.0000 34319.3189 -149284.8123 299.7191 -183604.1312 -149179.6227 298.8412 55.5995 91.0980 557166.3721 7.7501 7.6558 PRESSURE: 634400 -241.254 69.5113 50.1334 69.5102 -3.34928 110.814 50.1333 110.813 389.535 GPRESSURE: 634400 -211.855 17.397 106.159 42.4652 44.4504 55.7477 -12.7851 143.053 425.79 PRESSAVG: 634400 -51.9526 4.55762 17.2693 4.55758 45.3053 4.80392 17.2691 4.80378 29.1989 GPRESSAVG: 634400 -52.3794 5.91865 16.8817 3.843 45.0208 3.59236 18.0665 5.46122 30.0264 TIMING: 634400 CPU: 1904.87, 0.00300169/step Wall: 1904.87, 0.00300169/step, 3.64005 hours remaining, 207.253906 MB of memory in use. ENERGY: 634400 726.9861 2099.7632 1930.6710 117.4474 -206280.8815 17840.6434 0.0000 0.0000 34274.4244 -149290.9461 299.3271 -183565.3705 -149195.6405 298.8403 48.3106 86.1285 557077.7366 7.5172 7.5559 PRESSURE: 634600 -24.1784 218.325 99.8324 218.326 -65.0587 52.0875 99.8322 52.0875 -272.979 GPRESSURE: 634600 3.60601 302.845 59.2851 197.952 -7.6638 78.0883 135.64 71.072 -251.406 PRESSAVG: 634600 41.3393 -12.1589 12.4897 -12.1589 -32.2976 45.6446 12.4898 45.6446 21.4473 GPRESSAVG: 634600 41.5885 -13.4724 12.5301 -11.0539 -30.7362 46.4797 14.3017 44.5075 19.5568 TIMING: 634600 CPU: 1905.48, 0.00302556/step Wall: 1905.48, 0.00302556/step, 3.66883 hours remaining, 207.253906 MB of memory in use. ENERGY: 634600 751.3174 2028.1470 1961.0536 102.6933 -206203.6270 17673.5114 0.0000 0.0000 34273.0108 -149413.8936 299.3147 -183686.9043 -149319.3675 299.4448 -120.7387 -85.1545 557894.9143 10.1630 10.1364 PRESSURE: 634800 -5.43708 -15.4705 -28.4378 -15.4713 -83.1942 11.8785 -28.4388 11.8784 0.715662 GPRESSURE: 634800 68.2367 20.1756 -34.8146 -43.3937 -91.6315 -18.3895 57.2863 115.362 23.15 PRESSAVG: 634800 -30.7438 9.1206 22.3893 9.12068 34.2028 2.0106 22.3893 2.01066 11.6969 GPRESSAVG: 634800 -30.5507 10.5602 22.0151 8.9207 34.5181 1.75979 20.6197 2.37433 11.2921 TIMING: 634800 CPU: 1906.08, 0.00299971/step Wall: 1906.08, 0.00299971/step, 3.63732 hours remaining, 207.253906 MB of memory in use. ENERGY: 634800 788.9244 2103.1545 1918.8274 114.0122 -206304.1288 17778.4233 0.0000 0.0000 34215.0560 -149385.7311 298.8086 -183600.7870 -149284.5530 299.3366 -29.3052 -0.0816 557446.3611 5.0519 5.0865 PRESSURE: 635000 -117.68 13.4668 136.27 13.4673 -16.5175 38.3633 136.27 38.3647 18.2728 GPRESSURE: 635000 -119.751 14.9944 72.2471 62.147 74.2924 119.779 207.421 60.5065 33.3487 PRESSAVG: 635000 -11.6165 -42.9725 -26.0663 -42.9725 32.2243 -11.5286 -26.0663 -11.5286 21.5515 GPRESSAVG: 635000 -11.8798 -43.8226 -24.0527 -42.5192 31.0709 -9.94454 -26.955 -12.376 23.0808 TIMING: 635000 CPU: 1906.67, 0.00298486/step Wall: 1906.67, 0.00298486/step, 3.61914 hours remaining, 207.253906 MB of memory in use. ENERGY: 635000 737.3855 2063.4736 1920.0343 95.6123 -206331.7952 17868.1769 0.0000 0.0000 34248.2459 -149398.8666 299.0984 -183647.1125 -149304.7254 299.2040 -38.6417 -4.0366 557515.6269 14.0531 14.0906 PRESSURE: 635200 -258.2 -145.164 78.7083 -145.164 71.1558 169.625 78.7091 169.625 -139.864 GPRESSURE: 635200 -171.297 -169.498 19.7162 -120.817 84.5272 64.2759 64.6968 139.59 -145.272 PRESSAVG: 635200 -54.5722 -70.0614 -51.0114 -70.0613 25.0184 21.0988 -51.0114 21.0987 -34.624 GPRESSAVG: 635200 -53.1216 -68.8877 -52.6323 -71.3692 24.6719 19.8894 -49.8604 19.0709 -35.2791 TIMING: 635200 CPU: 1907.27, 0.00297168/step Wall: 1907.27, 0.00297168/step, 3.60299 hours remaining, 207.253906 MB of memory in use. ENERGY: 635200 767.7342 2053.6098 1937.4443 130.2607 -206033.5005 17675.5533 0.0000 0.0000 34214.5568 -149254.3414 298.8042 -183468.8982 -149161.6829 299.1265 -108.9695 -77.3472 558020.4577 -21.3926 -21.2429 PRESSURE: 635400 44.6747 72.3028 -174.256 72.3032 -130.322 51.0137 -174.256 51.0131 135.698 GPRESSURE: 635400 89.0005 -0.0117063 -168.635 54.5846 -101.016 63.1028 -115.287 -3.8828 157.63 PRESSAVG: 635400 -5.38747 -16.7991 -8.28088 -16.7991 23.7808 -2.84567 -8.28079 -2.84574 6.50694 GPRESSAVG: 635400 -6.43925 -18.3295 -8.70673 -15.8106 24.0354 -2.42586 -7.90652 -2.39053 7.68536 TIMING: 635400 CPU: 1907.87, 0.00300912/step Wall: 1907.87, 0.00300912/step, 3.64822 hours remaining, 207.253906 MB of memory in use. ENERGY: 635400 744.8757 2017.4186 1939.5206 115.2387 -206138.0846 17820.8286 0.0000 0.0000 34328.6959 -149171.5066 299.8010 -183500.2025 -149075.5097 300.0407 16.6833 48.5381 557291.6992 8.3001 8.4272 PRESSURE: 635600 -158.468 144.86 -223.212 144.86 59.4295 -146.453 -223.213 -146.452 28.4498 GPRESSURE: 635600 -110.339 132.185 -138.616 173.895 51.3339 -190.957 -183.635 -86.4219 74.5213 PRESSAVG: 635600 68.6131 46.3469 -11.5768 46.347 -0.228962 13.1354 -11.5768 13.1354 -41.7047 GPRESSAVG: 635600 71.3231 45.2389 -11.0685 45.5414 -1.24224 13.6502 -11.5308 14.1997 -43.2661 TIMING: 635600 CPU: 1908.47, 0.00299265/step Wall: 1908.47, 0.00299265/step, 3.62809 hours remaining, 207.253906 MB of memory in use. ENERGY: 635600 745.9337 2106.5512 1961.1614 114.7366 -206188.0460 17870.6186 0.0000 0.0000 34231.7594 -149157.2850 298.9545 -183389.0444 -149067.3766 299.7968 -23.5294 5.1719 558377.8829 8.8931 8.9383 PRESSURE: 635800 -58.0229 -124.94 -24.2289 -124.941 -311.091 -141.444 -24.2293 -141.444 20.5411 GPRESSURE: 635800 -48.6874 -117.152 -99.189 -106.172 -226.313 -81.284 -40.9076 -183.139 26.175 PRESSAVG: 635800 -16.0659 17.8697 -47.0315 17.8698 -18.0217 15.3421 -47.0315 15.342 24.102 GPRESSAVG: 635800 -17.6398 21.9852 -47.2733 15.8255 -16.997 15.1454 -48.035 17.9625 25.0157 TIMING: 635800 CPU: 1909.07, 0.00300778/step Wall: 1909.07, 0.00300778/step, 3.64626 hours remaining, 207.253906 MB of memory in use. ENERGY: 635800 765.7038 2057.6618 1930.1462 106.7958 -206249.8730 17790.1031 0.0000 0.0000 34151.9379 -149447.5243 298.2574 -183599.4622 -149351.6853 299.4382 -116.1910 -82.9418 556960.8736 -3.3285 -3.2070 PRESSURE: 636000 -111.353 -91.485 -94.6835 -91.4835 10.4876 42.0293 -94.6836 42.0295 -250.855 GPRESSURE: 636000 -49.7024 -69.2922 -20.661 -75.7373 56.6221 88.6225 -79.6912 -41.2657 -255.791 PRESSAVG: 636000 71.7323 -32.9957 44.4196 -32.9958 -43.8217 50.9055 44.4196 50.9055 -6.3549 GPRESSAVG: 636000 71.7049 -35.509 45.021 -32.5891 -44.9603 50.21 43.9893 49.446 -4.9244 TIMING: 636000 CPU: 1909.67, 0.00301877/step Wall: 1909.67, 0.00301877/step, 3.65941 hours remaining, 207.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 636000 741.5885 2076.2236 1935.1401 103.1716 -206226.6158 17699.7852 0.0000 0.0000 34404.4270 -149266.2797 300.4624 -183670.7066 -149172.1128 299.2400 -117.2402 -82.9570 558303.8244 7.1852 7.2734 PRESSURE: 636200 85.7843 -120.421 -112.78 -120.422 74.5758 61.5378 -112.781 61.5391 126.905 GPRESSURE: 636200 149.727 -134.166 -42.6614 -131.772 60.8601 -102.389 -146.561 66.3861 173.239 PRESSAVG: 636200 12.3218 0.43631 7.84693 0.436239 24.4805 -8.31315 7.84695 -8.3132 -67.6302 GPRESSAVG: 636200 11.8701 2.53249 5.67786 0.409208 24.6296 -7.06664 12.9431 -8.59941 -67.1445 TIMING: 636200 CPU: 1910.28, 0.00304425/step Wall: 1910.28, 0.00304425/step, 3.69014 hours remaining, 207.253906 MB of memory in use. ENERGY: 636200 735.9905 2022.3287 1944.3717 114.7388 -206242.3963 18012.4589 0.0000 0.0000 34223.3314 -149189.1763 298.8809 -183412.5077 -149092.5714 299.2977 95.7552 127.9419 558018.8400 -10.2760 -10.2149 LDB: ============= START OF LOAD BALANCING ============== 1913.8 LDB: ============== END OF LOAD BALANCING =============== 1913.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1913.8 LDB: ============= START OF LOAD BALANCING ============== 1914.1 LDB: Largest compute 4794 load 0.028652 is 24.3% of average load 0.117944 LDB: Average compute 0.001728 is 1.5% of average load 0.117944 LDB: TIME 1914.11 LOAD: AVG 0.117944 MAX 0.208286 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.906 MB LDB: TIME 1914.11 LOAD: AVG 0.117944 MAX 0.208286 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.91 MB LDB: TIME 1914.11 LOAD: AVG 0.117944 MAX 0.208286 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.91 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1914.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1914.11 PRESSURE: 636400 254.504 -70.0115 -20.4381 -70.0116 175.59 -99.556 -20.438 -99.5572 -26.8076 GPRESSURE: 636400 227.238 -11.6318 -34.7099 -107.03 241.115 -45.0158 -11.6171 9.55077 25.6264 PRESSAVG: 636400 0.00965992 -57.8203 42.6269 -57.8203 51.2779 25.153 42.6269 25.1529 -48.1736 GPRESSAVG: 636400 0.0498236 -61.9739 41.3438 -53.9349 52.701 25.9422 38.8417 24.583 -49.8829 TIMING: 636400 CPU: 1910.9, 0.0030749/step Wall: 1910.9, 0.0030749/step, 3.72712 hours remaining, 208.734375 MB of memory in use. ENERGY: 636400 771.3185 2096.5741 1949.1532 111.5347 -206293.2994 17951.8187 0.0000 0.0000 34206.0088 -149206.8914 298.7296 -183412.9003 -149113.3151 299.1258 134.4289 164.6600 557265.6661 1.0380 0.9560 PRESSURE: 636600 292.005 -120.034 -28.1398 -120.032 161.715 -149.481 -28.1396 -149.481 124.901 GPRESSURE: 636600 366.091 -89.8591 -63.7358 -162.066 131.944 -207.574 -62.1974 -180.647 175.322 PRESSAVG: 636600 -61.4273 -53.1386 11.904 -53.1387 43.2158 20.7738 11.904 20.7737 27.2447 GPRESSAVG: 636600 -60.3051 -50.1575 15.9154 -57.0948 42.4615 19.7989 11.4492 22.2976 26.8818 TIMING: 636600 CPU: 1911.5, 0.00300402/step Wall: 1911.5, 0.00300402/step, 3.64104 hours remaining, 208.734375 MB of memory in use. ENERGY: 636600 752.8315 2038.0430 1944.0110 114.4321 -206642.6453 18139.6037 0.0000 0.0000 34389.3016 -149264.4223 300.3303 -183653.7239 -149168.1273 299.1804 192.8733 224.4526 557180.6296 3.0111 3.0127 PRESSURE: 636800 47.4359 -44.1274 1.50818 -44.1267 -14.1029 -103.724 1.50654 -103.724 97.1651 GPRESSURE: 636800 77.4869 -22.9717 -11.5104 -9.50803 44.7541 -37.7645 22.7469 -72.4535 114.408 PRESSAVG: 636800 23.4282 -3.10571 6.2079 -3.10577 40.2421 -65.3642 6.20795 -65.364 -68.723 GPRESSAVG: 636800 22.4462 -3.32392 2.70737 -0.708691 40.6164 -65.351 8.13371 -66.0125 -68.1366 TIMING: 636800 CPU: 1912.1, 0.00299352/step Wall: 1912.1, 0.00299352/step, 3.62815 hours remaining, 208.734375 MB of memory in use. ENERGY: 636800 720.0739 2093.5859 1936.2682 125.0550 -205871.5029 17617.7893 0.0000 0.0000 34222.4764 -149156.2542 298.8734 -183378.7305 -149067.2676 299.4369 43.4994 78.8830 557618.4184 -1.6842 -1.6913 PRESSURE: 637000 221.59 40.9958 31.1306 40.9938 233.196 -65.2168 31.1307 -65.217 64.8861 GPRESSURE: 637000 262.066 -23.3256 54.4928 49.033 242.681 -46.4884 76.105 -105.197 106.585 PRESSAVG: 637000 -37.5746 57.5849 39.638 57.585 19.0551 -89.3993 39.638 -89.3993 26.6565 GPRESSAVG: 637000 -36.9542 56.0169 43.5156 59.1935 17.6347 -90.0859 38.2862 -89.9875 27.2075 TIMING: 637000 CPU: 1912.69, 0.00298735/step Wall: 1912.69, 0.00298735/step, 3.6205 hours remaining, 208.734375 MB of memory in use. ENERGY: 637000 724.4845 2062.9478 1925.5596 118.3790 -206344.7065 18039.3355 0.0000 0.0000 34348.8895 -149125.1106 299.9774 -183474.0001 -149019.3885 299.8233 173.2238 203.7772 556836.6179 2.7123 2.6293 PRESSURE: 637200 -348.242 -3.17391 105.623 -3.17578 -259.206 2.35841 105.623 2.35744 -101.299 GPRESSURE: 637200 -246.856 6.61436 108.285 -23.1649 -235.257 89.0336 204.358 25.3638 -130.305 PRESSAVG: 637200 23.3996 39.705 99.6169 39.705 -3.13725 -59.7569 99.6169 -59.7568 -4.82565 GPRESSAVG: 637200 23.0646 40.6326 98.2344 36.8845 -2.66651 -60.67 100.226 -58.5322 -5.361 TIMING: 637200 CPU: 1913.29, 0.00296841/step Wall: 1913.29, 0.00296841/step, 3.59738 hours remaining, 208.734375 MB of memory in use. ENERGY: 637200 766.6198 2109.9025 1930.3751 112.3852 -205670.9581 17533.9306 0.0000 0.0000 33936.1283 -149281.6166 296.3726 -183217.7449 -149187.7750 299.0513 -236.2490 -204.1393 557267.4336 5.1456 5.0124 PRESSURE: 637400 6.81515 7.84767 -30.6248 7.84804 -115.287 -31.5189 -30.6249 -31.5178 0.385764 GPRESSURE: 637400 11.1088 -8.79965 -64.7322 -2.49398 -62.1286 -12.8404 35.4236 -12.2119 26.1762 PRESSAVG: 637400 11.9577 -4.92141 70.5002 -4.9214 -22.4348 -17.1133 70.5003 -17.1133 -1.80273 GPRESSAVG: 637400 12.4396 -4.03132 71.6352 -5.07452 -22.018 -15.3895 69.2813 -17.5843 -2.31806 TIMING: 637400 CPU: 1913.88, 0.00298213/step Wall: 1913.88, 0.00298213/step, 3.61384 hours remaining, 208.734375 MB of memory in use. ENERGY: 637400 740.4362 2084.2137 1954.1791 106.2724 -206028.4660 17513.6184 0.0000 0.0000 34405.5369 -149224.2092 300.4721 -183629.7461 -149131.3542 299.5611 -36.0287 -8.2812 555961.8646 -4.0933 -3.9655 PRESSURE: 637600 -124.141 -99.7007 88.5476 -99.7004 -14.5287 148.404 88.5473 148.403 -72.0661 GPRESSURE: 637600 -73.8363 -153.61 157.876 -97.7923 18.3131 126.887 107.332 155.928 -62.4195 PRESSAVG: 637600 3.66134 8.06681 61.3177 8.06672 59.501 -15.5335 61.3178 -15.5335 0.656056 GPRESSAVG: 637600 2.79045 7.12161 60.8031 8.23359 60.6443 -15.8643 62.9123 -17.6196 0.310955 TIMING: 637600 CPU: 1914.48, 0.00296619/step Wall: 1914.48, 0.00296619/step, 3.59437 hours remaining, 208.734375 MB of memory in use. ENERGY: 637600 734.9365 2091.4904 1934.0192 106.4128 -205541.2029 17399.6777 0.0000 0.0000 34306.4456 -148968.2209 299.6067 -183274.6664 -148868.4676 299.9913 -70.2451 -39.3142 556956.0739 21.2728 21.2486 PRESSURE: 637800 -47.4886 -139.586 89.6064 -139.587 33.044 102.04 89.6067 102.043 66.0499 GPRESSURE: 637800 8.59127 -151.947 58.6717 -47.9054 62.2457 67.0643 97.0776 101.568 82.2057 PRESSAVG: 637800 -5.57972 28.8399 9.72442 28.8398 24.3666 60.467 9.72434 60.4672 -18.034 GPRESSAVG: 637800 -5.52369 29.6416 11.476 29.4916 22.8991 61.0793 7.7664 62.4628 -16.7061 TIMING: 637800 CPU: 1915.08, 0.00299699/step Wall: 1915.08, 0.00299699/step, 3.63152 hours remaining, 208.734375 MB of memory in use. ENERGY: 637800 719.7729 2051.8581 1943.3094 128.7411 -205920.8906 17728.8937 0.0000 0.0000 34397.4381 -148950.8774 300.4014 -183348.3154 -148851.2151 300.1970 17.2018 51.0142 556760.7445 0.2510 0.2231 PRESSURE: 638000 32.5573 -20.3409 109.155 -20.3395 208.764 37.017 109.155 37.0175 87.0864 GPRESSURE: 638000 44.1099 1.96589 97.0837 -106.348 197.78 -42.079 65.0644 109.876 178.872 PRESSAVG: 638000 -27.9456 23.4946 -5.40479 23.4946 45.3357 -48.796 -5.40476 -48.796 -6.60972 GPRESSAVG: 638000 -28.1198 22.582 -7.05518 25.0275 46.4591 -48.3171 -3.56594 -51.2769 -7.21154 TIMING: 638000 CPU: 1915.67, 0.00299195/step Wall: 1915.67, 0.00299195/step, 3.62525 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: 638000 731.4010 2091.8443 1909.5943 104.7274 -205904.9900 17794.9955 0.0000 0.0000 34306.1336 -148966.2938 299.6040 -183272.4275 -148858.9940 299.6836 109.4692 140.2539 558205.2250 3.5934 3.7093 PRESSURE: 638200 21.5114 52.944 -89.251 52.9444 159.298 -42.7396 -89.2523 -42.7401 -186.826 GPRESSURE: 638200 85.4443 96.2096 -84.8718 68.8397 181.929 -116.696 -134.173 -23.6361 -176.941 PRESSAVG: 638200 10.1967 15.9959 -33.5433 15.996 15.5388 -16.8029 -33.5432 -16.8028 -25.6357 GPRESSAVG: 638200 11.1972 17.5853 -33.0996 14.5072 15.2068 -16.8679 -32.8763 -15.4238 -26.098 TIMING: 638200 CPU: 1916.28, 0.00300473/step Wall: 1916.28, 0.00300473/step, 3.64056 hours remaining, 208.734375 MB of memory in use. ENERGY: 638200 720.7645 2102.4987 1955.8552 131.2753 -206030.3295 17690.5627 0.0000 0.0000 34289.4678 -149139.9053 299.4585 -183429.3731 -149043.7819 299.7014 -2.0052 30.1441 555945.7314 0.0333 0.1020 PRESSURE: 638400 119.322 -36.3753 70.1766 -36.3753 -80.5348 62.7592 70.1762 62.758 -212.748 GPRESSURE: 638400 112.434 -65.2515 104.709 -1.03643 -14.0504 16.7141 105.287 9.87718 -170.801 PRESSAVG: 638400 27.7696 60.5164 -11.9285 60.5164 -28.5469 22.6871 -11.9285 22.687 2.66356 GPRESSAVG: 638400 26.329 59.8024 -11.7133 60.4096 -28.3617 20.0875 -12.4913 24.4631 3.53625 TIMING: 638400 CPU: 1916.87, 0.0029832/step Wall: 1916.87, 0.0029832/step, 3.61431 hours remaining, 208.734375 MB of memory in use. ENERGY: 638400 758.4744 2036.3480 1973.3582 97.0417 -206050.4072 17802.3509 0.0000 0.0000 34365.7012 -149017.1327 300.1242 -183382.8339 -148910.5038 299.3928 -57.9869 -24.1393 558365.0651 0.6288 0.5012 PRESSURE: 638600 26.6468 -68.6606 82.0564 -68.6609 53.5894 50.2373 82.0559 50.238 132.94 GPRESSURE: 638600 78.9864 -72.3372 72.5289 -95.1988 46.2318 133.804 55.1723 59.9207 207.556 PRESSAVG: 638600 26.0072 28.9781 -34.1289 28.978 -19.3198 -16.0029 -34.1289 -16.0029 3.5773 GPRESSAVG: 638600 27.2781 28.9044 -32.9388 28.2528 -21.017 -12.8745 -35.3362 -16.6952 3.64748 TIMING: 638600 CPU: 1917.47, 0.00296983/step Wall: 1917.47, 0.00296983/step, 3.59795 hours remaining, 208.734375 MB of memory in use. ENERGY: 638600 751.9321 2098.9594 1932.7870 116.2033 -206373.8792 17990.0654 0.0000 0.0000 34418.6378 -149065.2943 300.5865 -183483.9321 -148962.4264 300.0815 71.0589 110.9246 557753.4349 3.4216 3.3029 PRESSURE: 638800 44.2992 -39.2019 -29.7814 -39.2031 118.878 1.93844 -29.7817 1.93898 -127.279 GPRESSURE: 638800 128.26 25.3505 -80.2748 -108.242 87.1661 85.408 -16.1279 20.8349 -75.9007 PRESSAVG: 638800 0.908529 26.991 -32.189 26.991 -20.2276 20.2509 -32.189 20.2508 11.3969 GPRESSAVG: 638800 -0.0664873 28.2276 -34.6288 25.004 -19.7176 19.1235 -29.8185 20.8213 11.8627 TIMING: 638800 CPU: 1918.06, 0.00298651/step Wall: 1918.06, 0.00298651/step, 3.61799 hours remaining, 208.734375 MB of memory in use. ENERGY: 638800 721.5081 2156.1823 1932.5664 111.2076 -206031.2653 17735.0880 0.0000 0.0000 34324.8440 -149049.8689 299.7674 -183374.7129 -148962.3468 300.0595 11.9660 46.5083 557839.0974 -2.6407 -2.6405 PRESSURE: 639000 -107.726 -50.3209 -140.248 -50.3217 -192.187 -34.2532 -140.248 -34.254 -147.089 GPRESSURE: 639000 -127.129 -43.2703 -211.498 -57.7179 -109.232 14.4768 -181.365 -37.3835 -122.962 PRESSAVG: 639000 -29.6757 -14.3709 6.48684 -14.3709 26.8259 -7.53256 6.48688 -7.53264 29.699 GPRESSAVG: 639000 -29.0865 -15.4478 4.65507 -12.3342 27.7576 -7.09704 6.57186 -8.84245 28.3572 TIMING: 639000 CPU: 1918.66, 0.00298251/step Wall: 1918.66, 0.00298251/step, 3.61298 hours remaining, 208.734375 MB of memory in use. ENERGY: 639000 791.2575 2074.3817 1957.3797 118.8623 -205895.9693 17590.5878 0.0000 0.0000 34308.4701 -149055.0303 299.6244 -183363.5004 -148958.5292 299.7579 -149.0007 -119.7742 558702.5087 8.9497 9.0094 PRESSURE: 639200 -140.929 160.912 -30.0372 160.911 111.448 -77.006 -30.0362 -77.0051 -274.991 GPRESSURE: 639200 -85.7188 68.9283 -32.2547 243.681 103.322 -99.9704 -53.826 -31.6026 -227.871 PRESSAVG: 639200 28.3036 -5.53331 -52.7681 -5.53326 -14.0879 19.6606 -52.7681 19.6606 -19.0315 GPRESSAVG: 639200 30.5334 -6.05576 -48.3919 -5.96345 -15.4587 17.9802 -54.3623 19.8777 -19.9844 TIMING: 639200 CPU: 1919.26, 0.00298776/step Wall: 1919.26, 0.00298776/step, 3.61918 hours remaining, 208.734375 MB of memory in use. ENERGY: 639200 771.3968 2123.5774 1928.7666 115.6179 -205923.8826 17724.5721 0.0000 0.0000 34362.9136 -148897.0381 300.0999 -183259.9517 -148799.0951 299.9056 -101.4905 -70.0890 557921.3688 -1.6053 -1.6366 PRESSURE: 639400 136.061 93.5319 -64.4138 93.5313 -30.2817 -82.2 -64.4127 -82.1988 -33.7178 GPRESSURE: 639400 161.73 66.8105 57.199 131.191 -9.26242 -199.601 -102.162 -79.7406 21.9407 PRESSAVG: 639400 31.9044 3.30899 -29.9286 3.30905 11.9869 -40.5578 -29.9286 -40.5577 -11.6364 GPRESSAVG: 639400 29.265 2.11299 -31.9636 3.16858 13.144 -39.5806 -28.5029 -39.6707 -10.6583 TIMING: 639400 CPU: 1919.85, 0.0029692/step Wall: 1919.85, 0.0029692/step, 3.59653 hours remaining, 208.734375 MB of memory in use. ENERGY: 639400 763.1499 2129.5304 1921.9508 114.8560 -205775.3388 17676.5028 0.0000 0.0000 34284.1178 -148885.2310 299.4117 -183169.3489 -148781.6513 300.5224 24.0204 58.1359 557519.9270 10.7517 10.5836 PRESSURE: 639600 8.30695 -49.3451 156.183 -49.3451 -101.718 48.4076 156.185 48.4066 162.894 GPRESSURE: 639600 90.4337 -19.5442 144.463 -75.8664 -110.775 27.3841 43.7343 80.8606 179.421 PRESSAVG: 639600 -12.7389 -6.45554 -8.22749 -6.45551 1.2051 -37.9468 -8.22749 -37.9467 -27.5849 GPRESSAVG: 639600 -12.645 -5.88702 -8.62102 -5.14015 1.89921 -38.9262 -9.02233 -39.5002 -28.4412 TIMING: 639600 CPU: 1920.45, 0.00298976/step Wall: 1920.45, 0.00298976/step, 3.62126 hours remaining, 208.734375 MB of memory in use. ENERGY: 639600 776.1182 2098.5263 1946.4499 121.9018 -206284.4339 17883.2949 0.0000 0.0000 34489.3412 -148968.8016 301.2040 -183458.1428 -148876.3892 300.4917 23.1612 53.0267 557869.4638 -13.0396 -13.0623 PRESSURE: 639800 -101.522 18.2167 11.159 18.2175 -97.0987 -30.9932 11.1595 -30.9946 -65.2037 GPRESSURE: 639800 -57.9929 62.5201 1.35767 -4.3424 -55.8795 -29.8335 -25.8941 -99.8824 -60.8359 PRESSAVG: 639800 5.48813 -3.67264 -23.56 -3.67257 6.96197 -30.0921 -23.56 -30.0922 15.0358 GPRESSAVG: 639800 5.35853 -3.79097 -22.4633 -2.24089 6.1821 -27.4608 -22.1183 -29.6162 15.5326 TIMING: 639800 CPU: 1921.05, 0.00298518/step Wall: 1921.05, 0.00298518/step, 3.61555 hours remaining, 208.734375 MB of memory in use. ENERGY: 639800 748.4756 2096.5588 1931.7493 102.8527 -206070.7556 17803.5357 0.0000 0.0000 34347.7727 -149039.8107 299.9676 -183387.5835 -148938.0600 300.7217 -87.9414 -58.2361 558389.4876 9.1620 9.0244 PRESSURE: 640000 -45.071 15.4211 41.3765 15.4209 61.5657 9.84837 41.377 9.84666 177.899 GPRESSURE: 640000 -35.3012 -8.4955 70.6863 92.063 123.149 -49.7101 33.8373 44.997 194.791 PRESSAVG: 640000 -14.8491 8.27258 -9.57834 8.27256 -57.0762 -53.3705 -9.57843 -53.3705 74.4112 GPRESSAVG: 640000 -13.8785 8.53658 -8.25987 7.79735 -57.7375 -55.3649 -10.7816 -52.5183 74.2722 TIMING: 640000 CPU: 1921.64, 0.00298241/step Wall: 1921.64, 0.00298241/step, 3.61203 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: 640000 796.9293 2138.2960 1937.7438 105.5439 -206321.4214 17967.2174 0.0000 0.0000 34308.2520 -149067.4388 299.6225 -183375.6908 -148970.4905 300.2834 64.7978 94.2132 556544.9976 0.8286 0.8854 PRESSURE: 640200 -17.3001 -155.842 120.327 -155.842 -70.1797 63.8732 120.328 63.8725 -29.1148 GPRESSURE: 640200 1.28984 -121.743 283.249 -141.193 3.17923 45.7476 70.5661 111.733 -13.2484 PRESSAVG: 640200 10.5288 -8.4586 10.1587 -8.45857 15.7418 2.5442 10.1587 2.54419 -13.4492 GPRESSAVG: 640200 9.96846 -6.88898 8.5774 -8.8898 15.7104 2.11736 8.3636 2.14435 -12.7388 TIMING: 640200 CPU: 1922.24, 0.00297274/step Wall: 1922.24, 0.00297274/step, 3.60015 hours remaining, 208.734375 MB of memory in use. ENERGY: 640200 745.7508 2114.1795 1933.7465 118.5564 -205865.1350 17730.7365 0.0000 0.0000 34160.4642 -149061.7012 298.3318 -183222.1654 -148968.2491 299.6407 -38.8649 -2.9265 558002.6415 4.2738 4.3133 LDB: ============= START OF LOAD BALANCING ============== 1925.75 LDB: ============== END OF LOAD BALANCING =============== 1925.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1925.75 LDB: ============= START OF LOAD BALANCING ============== 1926.06 LDB: Largest compute 4794 load 0.028112 is 23.8% of average load 0.117873 LDB: Average compute 0.001730 is 1.5% of average load 0.117873 LDB: TIME 1926.06 LOAD: AVG 0.117873 MAX 0.207087 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.512 MB LDB: TIME 1926.06 LOAD: AVG 0.117873 MAX 0.207087 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.715 MB LDB: TIME 1926.06 LOAD: AVG 0.117873 MAX 0.207087 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1926.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1926.07 PRESSURE: 640400 -184.863 -159.231 -16.8573 -159.231 -14.9323 198.14 -16.8564 198.141 -227.149 GPRESSURE: 640400 -180.601 -169.144 -17.1853 -119.591 72.2171 182.693 32.1996 251.758 -233.722 PRESSAVG: 640400 -29.0496 -21.7935 20.5088 -21.7936 89.7873 -7.15701 20.5088 -7.15702 -50.8012 GPRESSAVG: 640400 -28.8734 -22.4235 22.1456 -20.4012 90.212 -7.43078 22.0382 -8.56958 -51.6101 TIMING: 640400 CPU: 1922.85, 0.00305737/step Wall: 1922.85, 0.00305737/step, 3.70248 hours remaining, 208.222656 MB of memory in use. ENERGY: 640400 755.7081 2141.0763 1913.5317 112.3019 -205730.2695 17568.3126 0.0000 0.0000 34323.5258 -148915.8132 299.7559 -183239.3389 -148816.8197 299.9503 -142.3148 -114.0352 558663.9793 3.3122 3.2428 PRESSURE: 640600 130.926 -38.9991 -65.2074 -38.9992 56.134 -22.8237 -65.2078 -22.824 70.0504 GPRESSURE: 640600 125.906 -49.3503 -19.5685 -126.441 159.243 -124.419 -24.0583 36.971 80.5747 PRESSAVG: 640600 -11.4047 19.5271 -19.1773 19.5271 4.86878 41.6275 -19.1773 41.6275 -4.15203 GPRESSAVG: 640600 -11.3919 20.407 -19.8441 17.9191 5.07346 42.4469 -18.7558 43.4547 -4.46511 TIMING: 640600 CPU: 1923.45, 0.00300008/step Wall: 1923.45, 0.00300008/step, 3.63293 hours remaining, 208.222656 MB of memory in use. ENERGY: 640600 727.3572 2024.9467 1953.7325 117.2983 -206079.9997 17936.8179 0.0000 0.0000 34258.5494 -149061.2978 299.1884 -183319.8472 -148969.0512 299.7853 85.7035 121.9078 559056.8469 -3.5627 -3.5945 PRESSURE: 640800 180.438 -18.9532 -73.9106 -18.9547 171.777 -85.1697 -73.9116 -85.1694 -11.8904 GPRESSURE: 640800 208.461 -9.69546 -139.592 -9.76441 165.026 -75.3243 -47.644 -216.232 64.8245 PRESSAVG: 640800 20.3424 46.528 -29.7754 46.528 16.3184 -18.6835 -29.7754 -18.6835 -21.2956 GPRESSAVG: 640800 18.5394 44.0112 -29.2774 47.2779 16.1262 -19.0147 -31.001 -20.8498 -19.0382 TIMING: 640800 CPU: 1924.05, 0.0029839/step Wall: 1924.05, 0.0029839/step, 3.61318 hours remaining, 208.222656 MB of memory in use. ENERGY: 640800 692.3398 2046.0492 1959.0915 121.5861 -206318.8978 18002.3784 0.0000 0.0000 34317.1458 -149180.3069 299.7002 -183497.4527 -149082.7267 299.0126 113.4416 146.1037 558209.9681 5.1218 5.2091 PRESSURE: 641000 -348.638 -191.394 -32.8863 -191.394 -281.151 32.0722 -32.8863 32.0709 -96.5871 GPRESSURE: 641000 -250.868 -242.04 30.5736 -173.992 -314.227 26.0442 -112.874 68.7516 -67.426 PRESSAVG: 641000 60.0468 -2.53465 -55.8506 -2.5346 -5.57261 -10.7859 -55.8506 -10.7861 -21.9395 GPRESSAVG: 641000 60.9034 -1.37239 -57.2763 -2.37103 -4.62243 -12.2932 -56.3923 -9.06796 -23.404 TIMING: 641000 CPU: 1924.64, 0.00296822/step Wall: 1924.64, 0.00296822/step, 3.59403 hours remaining, 208.222656 MB of memory in use. ENERGY: 641000 728.1200 2064.2247 1935.3309 106.0527 -205647.4616 17505.4146 0.0000 0.0000 34189.1129 -149119.2058 298.5820 -183308.3187 -149027.5082 299.3221 -242.1254 -210.8403 558565.7074 10.8449 10.9590 PRESSURE: 641200 302.762 48.1649 -107.365 48.1653 62.0444 -123.614 -107.365 -123.612 -32.7314 GPRESSURE: 641200 305.822 32.163 -167.022 34.4253 78.3505 -111.367 -69.2029 -83.869 46.7946 PRESSAVG: 641200 9.31757 -33.0375 -36.5604 -33.0375 4.65459 47.5315 -36.5604 47.5314 -0.782082 GPRESSAVG: 641200 11.8792 -34.2147 -36.2358 -32.5412 2.90453 49.0902 -34.8058 47.852 -1.59417 TIMING: 641200 CPU: 1925.24, 0.00298278/step Wall: 1925.24, 0.00298278/step, 3.61148 hours remaining, 208.222656 MB of memory in use. ENERGY: 641200 773.7034 2095.1637 1945.3693 102.2315 -206502.9746 18041.7884 0.0000 0.0000 34339.5077 -149205.2106 299.8955 -183544.7183 -149109.2227 299.4348 110.6917 143.6558 557139.7269 4.3967 4.3965 PRESSURE: 641400 -219.206 45.5289 173.108 45.5284 18.6453 -41.3339 173.108 -41.3327 -283.037 GPRESSURE: 641400 -198.394 69.9898 85.6964 -50.5648 70.5108 -15.2279 61.227 -61.7822 -259.379 PRESSAVG: 641400 -23.3633 7.63889 1.42673 7.63893 -1.53931 31.0082 1.42667 31.0082 40.1233 GPRESSAVG: 641400 -25.2053 8.80214 -0.724693 6.21172 -0.151412 31.7749 2.40419 30.0209 40.5275 TIMING: 641400 CPU: 1925.83, 0.00295217/step Wall: 1925.83, 0.00295217/step, 3.57426 hours remaining, 208.222656 MB of memory in use. ENERGY: 641400 750.6849 2067.5637 1969.0453 113.3962 -205591.0574 17551.8571 0.0000 0.0000 34028.8355 -149109.6748 297.1823 -183138.5103 -149009.9851 298.9223 -161.1993 -129.0875 558671.8445 5.0736 5.0569 PRESSURE: 641600 -260.251 -97.195 -22.3239 -97.1946 -33.5723 7.74553 -22.3235 7.74716 247.517 GPRESSURE: 641600 -222.406 -151.066 -0.254977 -53.7487 -16.5928 -18.1304 -53.1083 9.7933 289.196 PRESSAVG: 641600 -56.6048 10.7451 12.7759 10.7451 41.7341 -13.4416 12.7758 -13.4417 8.0456 GPRESSAVG: 641600 -56.8529 11.1569 16.6766 11.1938 40.3817 -14.8287 11.1052 -11.7297 9.37178 TIMING: 641600 CPU: 1926.42, 0.00295113/step Wall: 1926.42, 0.00295113/step, 3.57283 hours remaining, 208.222656 MB of memory in use. ENERGY: 641600 727.0180 2059.3644 1938.6952 111.0288 -206127.8507 17838.2220 0.0000 0.0000 34390.0930 -149063.4293 300.3372 -183453.5223 -148961.3008 299.6799 -15.4354 16.7324 557635.4018 -2.2751 -2.3665 PRESSURE: 641800 -153.095 23.9366 -141.593 23.9377 -49.1388 -58.4117 -141.593 -58.4108 -99.3851 GPRESSURE: 641800 -143.714 -99.1955 -83.3119 77.0292 -8.00898 -53.0831 -146.281 -13.1559 -49.3637 PRESSAVG: 641800 -35.4636 0.859525 -13.5061 0.859595 -46.1239 45.7723 -13.5061 45.7725 117.043 GPRESSAVG: 641800 -35.7654 1.07741 -14.9119 1.81176 -45.4754 46.7417 -12.1361 45.2732 116.311 TIMING: 641800 CPU: 1927.01, 0.00296703/step Wall: 1927.01, 0.00296703/step, 3.59192 hours remaining, 208.480469 MB of memory in use. ENERGY: 641800 712.1995 2047.4364 1941.4352 113.4672 -205989.7902 17650.8416 0.0000 0.0000 34335.9815 -149188.4287 299.8647 -183524.4102 -149086.9525 299.4379 -100.5397 -67.0289 559222.9110 11.8186 11.6900 PRESSURE: 642000 83.4719 -117.271 -137.591 -117.27 -170.407 111.866 -137.59 111.867 5.47068 GPRESSURE: 642000 105.935 -50.3274 -98.7868 -72.0823 -127.794 36.6254 -196.429 100.399 34.0193 PRESSAVG: 642000 -24.2043 29.206 -56.6294 29.2061 8.07362 27.6662 -56.6294 27.6662 -23.0616 GPRESSAVG: 642000 -23.908 26.9049 -57.4197 29.155 8.18205 28.2282 -57.7798 27.0382 -23.8864 TIMING: 642000 CPU: 1927.6, 0.00296804/step Wall: 1927.6, 0.00296804/step, 3.59298 hours remaining, 208.480469 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: 642000 728.5144 2074.5192 1930.7457 127.0803 -205938.3176 17607.5668 0.0000 0.0000 34306.4047 -149163.4864 299.6064 -183469.8911 -149078.5856 298.8117 -27.1548 4.0536 558012.8883 -13.0641 -13.2041 PRESSURE: 642200 76.3586 -69.5348 -63.7216 -69.534 -79.2943 21.4594 -63.7214 21.4589 -113.223 GPRESSURE: 642200 71.5474 -85.573 -89.5416 -129.539 -35.9274 50.3454 34.6364 -33.4953 -51.3865 PRESSAVG: 642200 4.74167 13.4914 -24.4447 13.4914 -14.4998 13.3161 -24.4447 13.316 -14.7708 GPRESSAVG: 642200 5.96059 17.3681 -22.7374 11.158 -15.6986 12.5288 -23.6106 12.5567 -13.891 TIMING: 642200 CPU: 1928.2, 0.00296947/step Wall: 1928.2, 0.00296947/step, 3.59455 hours remaining, 208.480469 MB of memory in use. ENERGY: 642200 721.5899 2092.0666 1965.8655 112.5640 -205816.1864 17530.8709 0.0000 0.0000 34170.0288 -149223.2007 298.4154 -183393.2295 -149123.0245 298.8252 -38.7196 -5.2555 557422.5087 -8.1763 -7.8763 PRESSURE: 642400 -174.658 -68.2114 -33.3478 -68.2106 -74.336 221.614 -33.3475 221.612 164.191 GPRESSURE: 642400 -192.175 -63.8173 -45.388 23.3217 -23.3462 217.848 -20.1433 197.169 230.076 PRESSAVG: 642400 -20.4437 -21.9365 -4.04788 -21.9366 92.3383 41.0789 -4.04786 41.0789 -16.122 GPRESSAVG: 642400 -21.9531 -25.4237 -6.29987 -20.1056 94.0435 38.9022 -4.19704 42.1211 -16.5685 TIMING: 642400 CPU: 1928.79, 0.00295244/step Wall: 1928.79, 0.00295244/step, 3.57377 hours remaining, 208.480469 MB of memory in use. ENERGY: 642400 730.8807 2100.8866 1941.8567 113.5320 -206013.9703 17706.4983 0.0000 0.0000 34219.1444 -149201.1714 298.8443 -183420.3158 -149108.7029 298.9883 -28.2676 4.8517 556788.9151 18.5909 18.5073 PRESSURE: 642600 176.34 112.814 3.45572 112.815 48.2282 -83.9579 3.45723 -83.9602 199.164 GPRESSURE: 642600 229.501 82.6397 29.2674 143.843 92.6681 -71.403 -37.3135 -80.7125 190.987 PRESSAVG: 642600 -75.8011 -31.5458 -37.9848 -31.5458 76.9298 -0.166387 -37.9849 -0.166411 -38.6128 GPRESSAVG: 642600 -76.0422 -30.6781 -38.7184 -31.0942 77.589 1.69913 -38.3663 -0.681692 -39.8709 TIMING: 642600 CPU: 1929.38, 0.00294557/step Wall: 1929.38, 0.00294557/step, 3.56528 hours remaining, 208.480469 MB of memory in use. ENERGY: 642600 763.7142 2117.6233 1952.1303 120.6581 -206435.3183 17983.5667 0.0000 0.0000 34350.2962 -149147.3295 299.9897 -183497.6257 -149055.9964 299.6015 141.2442 171.0521 556989.1630 -12.4947 -12.7747 PRESSURE: 642800 -77.4143 23.2163 169.108 23.2171 -207.802 -211.37 169.108 -211.37 -194.677 GPRESSURE: 642800 -22.8131 -119.743 144.285 89.6679 -184.043 -191.385 130.971 -267.529 -172.038 PRESSAVG: 642800 36.4143 -13.0787 -22.9385 -13.0786 34.3595 20.4486 -22.9384 20.4485 12.9622 GPRESSAVG: 642800 36.9538 -13.2755 -22.2903 -13.5654 34.8011 18.3226 -22.8169 20.3051 12.9309 TIMING: 642800 CPU: 1929.98, 0.0029923/step Wall: 1929.98, 0.0029923/step, 3.62168 hours remaining, 208.480469 MB of memory in use. ENERGY: 642800 765.6279 2083.9970 1909.2206 107.2492 -205856.1694 17556.9487 0.0000 0.0000 34289.0954 -149144.0307 299.4552 -183433.1261 -149054.4383 299.7774 -159.9646 -126.2979 557012.0606 27.9120 28.2286 PRESSURE: 643000 183.41 58.229 -115.169 58.2281 -201.395 -48.3979 -115.169 -48.3968 124.459 GPRESSURE: 643000 154.812 42.5409 -171.596 21.7758 -124.032 -34.806 -2.72953 43.57 186.141 PRESSAVG: 643000 81.6809 23.8714 -52.3683 23.8713 -43.6674 -41.9971 -52.3683 -41.9972 30.3501 GPRESSAVG: 643000 82.0352 23.0803 -52.4761 24.696 -45.6435 -39.6864 -51.2495 -43.6438 31.389 TIMING: 643000 CPU: 1930.57, 0.00296728/step Wall: 1930.57, 0.00296728/step, 3.59123 hours remaining, 208.480469 MB of memory in use. ENERGY: 643000 746.1501 2114.6773 1936.0291 108.5224 -206354.5964 17908.0392 0.0000 0.0000 34297.8546 -149243.3237 299.5317 -183541.1783 -149147.8963 299.7472 35.4914 72.3069 557055.8950 22.7878 22.5936 PRESSURE: 643200 -134.725 98.9474 19.5896 98.9477 -217.492 -102.05 19.589 -102.049 -83.8584 GPRESSURE: 643200 -56.4263 121.954 -7.68144 141.258 -213.966 -71.0623 0.0381892 -125.194 -68.0004 PRESSAVG: 643200 13.6249 0.0831069 11.8788 0.0831222 -55.2102 -20.5395 11.8788 -20.5394 28.0415 GPRESSAVG: 643200 12.8228 2.10941 10.6154 -0.946674 -55.0582 -22.8832 11.741 -18.1309 28.5078 TIMING: 643200 CPU: 1931.16, 0.00296837/step Wall: 1931.16, 0.00296837/step, 3.59238 hours remaining, 208.480469 MB of memory in use. ENERGY: 643200 722.4424 2102.0014 1947.2320 109.0275 -205972.5253 17501.3794 0.0000 0.0000 34339.4484 -149250.9943 299.8949 -183590.4427 -149160.0563 299.3937 -145.3587 -112.7975 556817.2867 -4.5146 -4.5759 PRESSURE: 643400 -108.077 18.4107 -44.0677 18.4096 -129.727 14.8405 -44.0679 14.842 4.66681 GPRESSURE: 643400 -108.486 26.8006 -16.1848 54.3475 -102.201 66.3539 -117.121 23.0665 67.4804 PRESSAVG: 643400 31.4026 -16.0572 -34.3546 -16.0572 -84.1474 -48.8794 -34.3546 -48.8795 63.6723 GPRESSAVG: 643400 31.5169 -18.7298 -31.7712 -14.3397 -83.0322 -48.7726 -35.5452 -48.4949 62.3971 TIMING: 643400 CPU: 1931.76, 0.00299391/step Wall: 1931.76, 0.00299391/step, 3.62313 hours remaining, 208.480469 MB of memory in use. ENERGY: 643400 747.3042 2106.0981 1944.8219 114.9712 -206651.9792 17856.1910 0.0000 0.0000 34441.8119 -149440.7809 300.7889 -183882.5928 -149343.3212 299.5233 -77.7125 -47.7355 556036.1668 3.6425 3.6273 PRESSURE: 643600 -116.919 -217.95 178.226 -217.95 61.6748 -80.906 178.226 -80.9043 -115.586 GPRESSURE: 643600 -4.35842 -163.783 221.66 -259.621 14.0693 -65.2123 184.942 -121 -67.9473 PRESSAVG: 643600 -32.9604 19.2149 18.1343 19.2149 14.1565 -43.9479 18.1343 -43.9479 18.1145 GPRESSAVG: 643600 -32.0467 22.5958 17.0773 16.573 12.9607 -42.776 19.3452 -45.5325 18.6178 TIMING: 643600 CPU: 1932.36, 0.00298916/step Wall: 1932.36, 0.00298916/step, 3.61722 hours remaining, 208.480469 MB of memory in use. ENERGY: 643600 727.1024 2065.0745 1953.8156 109.6859 -206317.4900 17843.2573 0.0000 0.0000 34170.3221 -149448.2322 298.4179 -183618.5543 -149348.7535 299.6870 -56.9434 -19.4122 558855.6197 -0.2298 -0.1560 PRESSURE: 643800 73.232 88.4822 116.155 88.4813 -192.092 -79.4651 116.155 -79.4642 16.9833 GPRESSURE: 643800 122.259 106.057 163.167 85.1383 -174.299 -116.581 77.4124 -70.1787 52.5562 PRESSAVG: 643800 -47.0676 -11.0521 42.145 -11.052 28.1044 -11.8923 42.1451 -11.8924 42.5444 GPRESSAVG: 643800 -47.8478 -13.3786 43.8951 -10.7399 29.3616 -12.0131 40.4972 -13.1321 42.5751 TIMING: 643800 CPU: 1932.95, 0.00295641/step Wall: 1932.95, 0.00295641/step, 3.57742 hours remaining, 208.480469 MB of memory in use. ENERGY: 643800 750.8656 2102.5428 1941.6333 113.7009 -206274.5813 17712.2580 0.0000 0.0000 34064.3238 -149589.2569 297.4922 -183653.5807 -149499.8729 298.7492 -33.9590 0.1720 556429.0420 7.8604 8.0296 PRESSURE: 644000 -48.3436 141.007 -203.672 141.007 318.256 -186.863 -203.673 -186.862 35.0333 GPRESSURE: 644000 7.53248 97.9119 -133.506 170.274 299.05 -151.715 -258.315 -183.256 102.22 PRESSAVG: 644000 -11.9608 6.6443 -1.00258 6.64427 14.8975 -0.867757 -1.00262 -0.867726 2.1445 GPRESSAVG: 644000 -10.9594 7.4242 -3.20868 6.60403 13.7349 -2.05394 -0.24635 1.63423 3.01373 TIMING: 644000 CPU: 1933.55, 0.00297684/step Wall: 1933.55, 0.00297684/step, 3.60197 hours remaining, 208.480469 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: 644000 711.6855 2102.9061 1924.5271 114.4054 -206755.2076 18124.5892 0.0000 0.0000 34042.4465 -149734.6478 297.3012 -183777.0943 -149633.1028 298.0920 101.6486 136.2675 557437.4146 1.6937 1.9297 PRESSURE: 644200 -41.9234 126.256 -23.3305 126.256 172.127 -83.4354 -23.331 -83.4341 341.714 GPRESSURE: 644200 19.9059 216.398 27.1647 58.105 167.737 -103.153 17.5732 1.02707 376.502 PRESSAVG: 644200 6.83691 20.0444 33.0859 20.0443 -10.1472 -22.6757 33.0859 -22.6756 -19.5702 GPRESSAVG: 644200 6.9617 19.572 33.4607 20.9545 -8.96356 -22.4919 35.5157 -22.5556 -20.3704 TIMING: 644200 CPU: 1934.14, 0.00297218/step Wall: 1934.14, 0.00297218/step, 3.59618 hours remaining, 208.480469 MB of memory in use. ENERGY: 644200 751.2817 2082.3495 1922.3662 121.8927 -206922.6662 18216.2213 0.0000 0.0000 34080.5368 -149748.0179 297.6338 -183828.5548 -149658.8774 297.5377 157.3058 188.0484 558075.9408 -7.6269 -7.4574 LDB: ============= START OF LOAD BALANCING ============== 1937.66 LDB: ============== END OF LOAD BALANCING =============== 1937.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1937.66 LDB: ============= START OF LOAD BALANCING ============== 1937.96 LDB: Largest compute 4794 load 0.028669 is 24.3% of average load 0.117876 LDB: Average compute 0.001732 is 1.5% of average load 0.117876 LDB: TIME 1937.96 LOAD: AVG 0.117876 MAX 0.205453 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.738 MB LDB: TIME 1937.96 LOAD: AVG 0.117876 MAX 0.205453 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.738 MB LDB: TIME 1937.96 LOAD: AVG 0.117876 MAX 0.205453 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.738 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1937.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1937.96 PRESSURE: 644400 69.1951 125.257 202.01 125.257 136.623 14.7162 202.01 14.7155 -385.222 GPRESSURE: 644400 62.3081 127.843 185.481 132.281 169.749 53.7439 132.604 55.093 -315.72 PRESSAVG: 644400 -17.8252 28.4959 31.1219 28.4959 -55.6888 12.4004 31.1218 12.4004 76.5339 GPRESSAVG: 644400 -18.9429 29.1772 31.3782 27.3275 -54.9467 13.1928 27.2247 14.0908 76.6715 TIMING: 644400 CPU: 1934.75, 0.00303537/step Wall: 1934.75, 0.00303537/step, 3.67246 hours remaining, 208.929688 MB of memory in use. ENERGY: 644400 744.0923 2089.2116 1939.6333 100.7331 -206712.2997 17974.9932 0.0000 0.0000 34197.5456 -149666.0905 298.6557 -183863.6361 -149571.9730 298.0828 -59.8012 -27.8876 558067.3603 1.0066 0.9273 PRESSURE: 644600 51.781 -63.8577 69.9399 -63.8576 -35.1971 -132.946 69.9397 -132.945 295.101 GPRESSURE: 644600 87.989 -57.0491 184.89 57.3718 -20.4115 -19.7289 81.4038 -158.8 340.544 PRESSAVG: 644600 -57.2374 68.9139 -18.029 68.9139 -51.0073 -43.091 -18.0289 -43.091 111.369 GPRESSAVG: 644600 -55.2896 67.809 -20.1908 69.463 -52.707 -42.5824 -13.4992 -44.0583 110.895 TIMING: 644600 CPU: 1935.34, 0.00297847/step Wall: 1935.34, 0.00297847/step, 3.60345 hours remaining, 209.132812 MB of memory in use. ENERGY: 644600 733.3796 2088.0151 1931.4316 122.9226 -206635.5669 18108.7371 0.0000 0.0000 34066.1328 -149584.9481 297.5080 -183651.0809 -149486.5604 297.8596 103.8949 136.0405 557375.3118 1.0415 0.9663 PRESSURE: 644800 173.584 -10.9099 76.9237 -10.9085 -82.7962 9.38507 76.9225 9.38501 -62.45 GPRESSURE: 644800 165.91 -37.9234 73.79 -9.18772 48.5675 97.8047 43.2708 -38.8188 -92.3558 PRESSAVG: 644800 -31.8858 47.966 13.1342 47.9659 16.1885 10.9718 13.1343 10.9719 19.4219 GPRESSAVG: 644800 -33.9269 47.7694 15.1858 49.4502 18.1767 10.8894 10.5748 10.5994 19.4095 TIMING: 644800 CPU: 1935.95, 0.00301602/step Wall: 1935.95, 0.00301602/step, 3.64871 hours remaining, 209.132812 MB of memory in use. ENERGY: 644800 724.7135 2039.0552 1930.7592 106.7388 -206177.3632 17808.4646 0.0000 0.0000 34191.7414 -149375.8905 298.6050 -183567.6319 -149275.6327 298.3699 9.4460 40.7073 557164.7300 1.2415 1.2198 PRESSURE: 645000 83.4572 90.0798 -72.2302 90.0797 -75.7799 60.2632 -72.2313 60.2623 175.253 GPRESSURE: 645000 77.0956 105.251 -40.562 118.795 -12.1692 -8.8132 -107.013 42.7892 199.238 PRESSAVG: 645000 -24.223 13.3664 4.46601 13.3664 -23.9027 -73.4915 4.46599 -73.4915 99.8437 GPRESSAVG: 645000 -22.4028 13.2989 4.28627 12.1196 -25.326 -76.2558 4.1644 -73.1178 99.3706 TIMING: 645000 CPU: 1936.55, 0.00300789/step Wall: 1936.55, 0.00300789/step, 3.63872 hours remaining, 209.132812 MB of memory in use. ENERGY: 645000 703.8399 2021.7739 1936.5701 108.7204 -206086.4887 17938.4953 0.0000 0.0000 34006.5598 -149370.5294 296.9877 -183377.0892 -149270.3539 298.5345 60.9768 88.0547 558104.9647 17.2394 17.2139 PRESSURE: 645200 -18.5881 -113.55 155.035 -113.551 -87.2947 -104.208 155.035 -104.209 -57.6404 GPRESSURE: 645200 79.1091 -165.098 276.025 -183.451 -77.5472 -61.1199 169.901 -117.304 -75.5484 PRESSAVG: 645200 -63.5941 -6.05882 -9.97265 -6.05885 37.2311 -18.1679 -9.9726 -18.1679 -5.5285 GPRESSAVG: 645200 -63.9858 -7.18042 -10.5813 -4.4989 37.3133 -15.887 -8.77433 -17.66 -5.62977 TIMING: 645200 CPU: 1937.14, 0.00297249/step Wall: 1937.14, 0.00297249/step, 3.59572 hours remaining, 209.132812 MB of memory in use. ENERGY: 645200 774.5707 2034.1064 1989.2845 105.1421 -206306.6323 17806.9786 0.0000 0.0000 34044.6126 -149551.9373 297.3201 -183596.5499 -149454.9086 298.4905 -54.5077 -24.6622 558212.8571 -10.6305 -10.7674 PRESSURE: 645400 -10.1464 10.8216 173.006 10.8221 -112.698 -152.103 173.006 -152.102 -188.15 GPRESSURE: 645400 -41.8711 18.5446 192.903 36.2687 -88.7656 -168.281 98.3496 -95.6075 -78.2399 PRESSAVG: 645400 -5.82385 -26.4842 26.786 -26.4843 5.38682 -64.1483 26.7859 -64.1482 -35.1513 GPRESSAVG: 645400 -6.62639 -27.7888 26.3848 -26.4948 5.73297 -64.9755 26.9085 -64.4731 -34.9307 TIMING: 645400 CPU: 1937.74, 0.00299088/step Wall: 1937.74, 0.00299088/step, 3.6178 hours remaining, 209.132812 MB of memory in use. ENERGY: 645400 692.5387 2098.7977 1980.4199 119.7086 -206259.0443 17712.0145 0.0000 0.0000 34063.6732 -149591.8916 297.4865 -183655.5648 -149490.4117 298.6134 -103.6649 -69.6256 557346.4627 -11.8628 -11.9414 PRESSURE: 645600 -200.336 47.9515 -72.139 47.9513 1.75444 120.001 -72.1398 120.003 -65.1137 GPRESSURE: 645600 -158.114 31.1705 -145.198 80.8017 17.6171 149.561 -46.1897 37.8921 -8.90522 PRESSAVG: 645600 32.0201 23.3196 -0.0400612 23.3197 63.4247 -46.2756 -0.0400301 -46.2755 -69.0783 GPRESSAVG: 645600 32.0936 26.9957 -1.90847 20.66 62.9246 -45.376 0.255518 -46.4254 -68.5958 TIMING: 645600 CPU: 1938.34, 0.00301303/step Wall: 1938.34, 0.00301303/step, 3.64442 hours remaining, 209.132812 MB of memory in use. ENERGY: 645600 729.3274 2063.2212 1936.3968 115.7795 -206392.1708 17777.4610 0.0000 0.0000 34262.9763 -149507.0087 299.2271 -183769.9849 -149409.7465 298.5056 -87.8983 -49.8008 558080.3055 8.7888 8.8075 PRESSURE: 645800 -141.541 42.195 -85.2575 42.1947 -148.531 -92.9347 -85.2576 -92.9341 -119.79 GPRESSURE: 645800 -103.498 42.534 -49.3477 95.3947 -134.176 -213.486 -36.0326 -54.3537 -68.2388 PRESSAVG: 645800 -52.1351 58.5371 15.8871 58.5371 46.3928 -7.11648 15.8871 -7.11638 -3.71556 GPRESSAVG: 645800 -50.7046 54.8743 20.1477 59.7132 45.1221 -8.74922 17.0304 -7.71086 -3.64654 TIMING: 645800 CPU: 1938.94, 0.00298253/step Wall: 1938.94, 0.00298253/step, 3.60737 hours remaining, 209.132812 MB of memory in use. ENERGY: 645800 773.1969 2072.6941 1926.3183 117.6521 -206159.2503 17738.6045 0.0000 0.0000 34037.1868 -149493.5976 297.2552 -183530.7845 -149400.6668 298.1143 -136.6206 -101.9711 557449.7279 -3.1526 -3.0764 PRESSURE: 646000 -98.6187 21.4765 59.2531 21.4761 48.5636 27.1809 59.2527 27.1792 296.816 GPRESSURE: 646000 -3.83602 72.2742 56.8343 -29.1198 108.976 64.3211 59.276 -48.5017 246.138 PRESSAVG: 646000 23.6251 31.6927 -0.0567885 31.6927 15.9101 -23.5156 -0.0568097 -23.5156 -62.6599 GPRESSAVG: 646000 22.9897 31.9725 -0.26958 31.9808 17.0984 -22.1672 -2.69527 -23.0293 -63.0954 TIMING: 646000 CPU: 1939.54, 0.00297643/step Wall: 1939.54, 0.00297643/step, 3.59982 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: 646000 746.5263 2109.2489 1911.0361 105.2897 -206619.5452 18022.0971 0.0000 0.0000 34469.0439 -149256.3032 301.0267 -183725.3471 -149158.4924 299.0080 82.2538 117.0925 557464.3115 -7.7082 -7.6691 PRESSURE: 646200 -112.028 15.1769 -35.2943 15.1765 -137.177 -149.665 -35.2946 -149.667 -228.718 GPRESSURE: 646200 -93.3655 69.1141 -35.2034 143.116 -70.1488 -36.6392 -3.13491 -138.818 -219.426 PRESSAVG: 646200 1.5465 9.7674 46.5568 9.76738 -18.336 -1.03174 46.5568 -1.03173 41.8514 GPRESSAVG: 646200 0.606737 14.4578 46.7659 10.7337 -17.3406 0.351428 48.577 -0.86257 41.7877 TIMING: 646200 CPU: 1940.13, 0.00298112/step Wall: 1940.13, 0.00298112/step, 3.60534 hours remaining, 209.132812 MB of memory in use. ENERGY: 646200 728.1397 2067.9881 1929.4212 120.2523 -205824.2796 17454.7260 0.0000 0.0000 34411.4343 -149112.3179 300.5236 -183523.7522 -149012.5108 299.7241 -159.3077 -127.6469 557381.6790 8.3540 8.3513 PRESSURE: 646400 46.6396 80.4367 22.1569 80.4363 -115.1 -25.7406 22.1565 -25.7409 91.4709 GPRESSURE: 646400 69.0462 -3.09572 -5.4151 112.649 -78.0745 -43.081 5.24963 -4.62237 131.054 PRESSAVG: 646400 28.9649 12.5744 1.08223 12.5745 -5.5522 -40.5514 1.08231 -40.5513 -24.499 GPRESSAVG: 646400 28.7734 9.4871 1.40435 11.3723 -6.51527 -40.4383 -0.486843 -41.5509 -24.0136 TIMING: 646400 CPU: 1940.73, 0.00298472/step Wall: 1940.73, 0.00298472/step, 3.60952 hours remaining, 209.132812 MB of memory in use. ENERGY: 646400 770.7963 2145.6207 1921.3465 117.7945 -206163.2005 17819.5539 0.0000 0.0000 34459.1883 -148928.9002 300.9407 -183388.0885 -148832.6549 299.5742 7.6701 40.6754 558591.9680 -0.3621 -0.5851 PRESSURE: 646600 89.8684 -82.8427 77.3369 -82.8426 114.21 53.3173 77.3386 53.3171 -48.3449 GPRESSURE: 646600 135.614 -89.896 -29.2602 0.413727 133.799 33.1797 126.461 47.4821 -10.4223 PRESSAVG: 646600 15.0862 -33.1406 48.6193 -33.1405 23.338 -65.0804 48.6195 -65.0804 -36.9556 GPRESSAVG: 646600 15.4305 -34.6468 46.0531 -31.0208 22.7921 -65.8337 51.4452 -64.2809 -37.0481 TIMING: 646600 CPU: 1941.32, 0.00297664/step Wall: 1941.32, 0.00297664/step, 3.59959 hours remaining, 209.132812 MB of memory in use. ENERGY: 646600 716.3458 2103.0926 1951.9710 117.2259 -206326.5864 17965.8694 0.0000 0.0000 34455.8641 -149016.2176 300.9116 -183472.0817 -148916.2882 299.7010 51.9110 86.3301 556630.4314 0.4895 0.3915 PRESSURE: 646800 121.269 2.13286 -101.357 2.13267 34.3716 -73.3905 -101.358 -73.3914 -272.516 GPRESSURE: 646800 140.804 -54.7006 -115.333 -60.0365 55.5144 -193.049 -29.1164 43.027 -217.974 PRESSAVG: 646800 3.44563 -29.7713 17.0213 -29.7712 -22.0172 -12.2603 17.0212 -12.2603 -13.1053 GPRESSAVG: 646800 2.86743 -27.3319 20.235 -32.0884 -21.2558 -13.4376 15.2092 -11.0813 -12.6271 TIMING: 646800 CPU: 1941.91, 0.00295252/step Wall: 1941.91, 0.00295252/step, 3.57025 hours remaining, 209.132812 MB of memory in use. ENERGY: 646800 724.6803 2094.9728 1931.8242 121.8124 -205935.0790 17501.3514 0.0000 0.0000 34384.3872 -149176.0507 300.2874 -183560.4379 -149073.6254 300.5666 -38.9586 -7.2186 556436.7067 -10.5590 -10.3385 PRESSURE: 647000 -189.89 104.69 144.135 104.688 5.63277 60.3008 144.134 60.3003 -28.4305 GPRESSURE: 647000 -129.612 204.235 131.026 48.0517 23.1244 -4.26221 88.6488 117.136 1.4913 PRESSAVG: 647000 -29.3897 24.032 13.5755 24.032 49.0634 56.129 13.5754 56.1291 -32.8471 GPRESSAVG: 647000 -28.0988 22.9342 11.7185 24.9502 48.5851 55.9975 12.9988 56.7817 -33.4899 TIMING: 647000 CPU: 1942.5, 0.00294653/step Wall: 1942.5, 0.00294653/step, 3.56285 hours remaining, 209.132812 MB of memory in use. ENERGY: 647000 780.9752 2173.8021 1933.3796 99.3032 -206243.1624 17669.7276 0.0000 0.0000 34424.8229 -149161.1517 300.6405 -183585.9746 -149058.4122 299.9554 -70.8958 -34.9988 556095.6048 -4.3911 -4.3345 PRESSURE: 647200 -341.105 -29.3086 93.1101 -29.3099 14.4933 -101.896 93.1109 -101.896 -77.3755 GPRESSURE: 647200 -342.552 -67.3839 209.057 19.0488 92.9428 -154.568 30.5857 -88.6664 -51.7857 PRESSAVG: 647200 -74.5086 2.00931 -5.06563 2.00931 10.4007 -24.2456 -5.06561 -24.2457 64.4977 GPRESSAVG: 647200 -75.519 2.51161 -4.95064 -0.226529 10.0829 -24.0523 -3.55771 -26.5971 65.7819 TIMING: 647200 CPU: 1943.09, 0.00295054/step Wall: 1943.09, 0.00295054/step, 3.56753 hours remaining, 209.132812 MB of memory in use. ENERGY: 647200 763.4275 2116.5085 1946.1990 123.3116 -206359.3387 17736.3462 0.0000 0.0000 34478.5130 -149195.0328 301.1094 -183673.5458 -149096.8138 299.8020 -134.6626 -100.4648 557930.0114 0.1299 0.1153 PRESSURE: 647400 45.3473 -16.8422 -103.934 -16.8426 152.411 -216.39 -103.935 -216.389 -143.755 GPRESSURE: 647400 97.4875 -20.8777 -71.0708 -10.0605 258.533 -214.717 -87.9407 -236.424 -187.053 PRESSAVG: 647400 24.2529 6.08968 -36.3782 6.08961 -20.2424 -22.2817 -36.3783 -22.2818 -4.06532 GPRESSAVG: 647400 25.0496 5.67048 -36.5723 7.84957 -19.7 -19.9085 -37.1648 -22.0949 -5.33033 TIMING: 647400 CPU: 1943.69, 0.0029665/step Wall: 1943.69, 0.0029665/step, 3.58666 hours remaining, 209.132812 MB of memory in use. ENERGY: 647400 774.8562 2187.7956 1968.0917 108.2155 -206162.3709 17800.4391 0.0000 0.0000 34263.1531 -149059.8197 299.2286 -183322.9728 -148966.0014 299.6974 18.0010 56.3226 558014.4680 -0.0183 0.0064 PRESSURE: 647600 40.2653 87.1345 66.5055 87.1346 144.219 -181.297 66.5056 -181.296 74.9765 GPRESSURE: 647600 65.8878 39.9903 18.8772 -20.8923 139.38 -172.167 61.0404 -146.681 146.942 PRESSAVG: 647600 24.1095 58.8436 -4.85568 58.8438 -3.1314 -64.9646 -4.85569 -64.9647 -17.7421 GPRESSAVG: 647600 23.845 58.258 -5.69785 60.3743 -4.58292 -66.1094 -3.81628 -64.9149 -16.2764 TIMING: 647600 CPU: 1944.28, 0.00297066/step Wall: 1944.28, 0.00297066/step, 3.59153 hours remaining, 209.132812 MB of memory in use. ENERGY: 647600 783.5408 2097.2591 1966.3965 107.7902 -205967.2976 17935.7473 0.0000 0.0000 34063.0032 -149013.5604 297.4807 -183076.5636 -148915.0382 299.3184 86.4870 117.4035 556590.8120 1.0787 0.9952 PRESSURE: 647800 22.2089 -162.994 -35.6708 -162.995 97.8477 129.605 -35.6711 129.605 -311.265 GPRESSURE: 647800 7.9624 -196.375 13.3988 -146.478 175.647 186.247 -75.5101 112.577 -288.418 PRESSAVG: 647800 32.8017 -29.0171 -9.67754 -29.0171 51.532 -6.21971 -9.67738 -6.21977 -120.903 GPRESSAVG: 647800 32.6544 -30.0778 -6.38929 -29.9514 53.0575 -6.77528 -11.8777 -7.50731 -121.491 TIMING: 647800 CPU: 1944.87, 0.00296255/step Wall: 1944.87, 0.00296255/step, 3.58156 hours remaining, 209.132812 MB of memory in use. ENERGY: 647800 724.6198 2130.2732 1924.5591 119.2162 -205901.6605 17679.6925 0.0000 0.0000 34222.2494 -149101.0502 298.8714 -183323.2996 -149006.4152 298.9223 -63.7361 -34.9361 556374.6232 -12.1897 -11.9264 PRESSURE: 648000 -262.596 16.2361 58.5258 16.2358 291.845 -22.9459 58.5258 -22.9465 -34.6747 GPRESSURE: 648000 -239.17 63.764 -17.426 6.53964 308.25 34.1274 36.9191 -112.611 9.80371 PRESSAVG: 648000 -32.3521 -43.3182 -37.6599 -43.3182 44.3126 -40.3031 -37.66 -40.303 -8.11197 GPRESSAVG: 648000 -31.8066 -42.5156 -40.4234 -42.1105 44.1478 -38.7949 -37.0083 -40.1354 -8.12844 TIMING: 648000 CPU: 1945.47, 0.00297737/step Wall: 1945.47, 0.00297737/step, 3.59931 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: 648000 755.5169 2084.8339 1940.1953 95.5147 -206108.3916 17859.1403 0.0000 0.0000 34211.8143 -149161.3763 298.7803 -183373.1906 -149066.9836 299.4045 -1.8086 26.2945 557845.6604 1.2829 1.4042 PRESSURE: 648200 104.709 26.6186 46.6833 26.6174 171.833 -50.1188 46.6833 -50.1205 157.976 GPRESSURE: 648200 143.255 25.1354 29.061 40.9 198.923 5.19333 102.373 -27.2273 191.97 PRESSAVG: 648200 -70.0756 13.2679 0.982864 13.268 22.9627 87.9131 0.982788 87.913 79.1231 GPRESSAVG: 648200 -70.7956 13.3971 0.983958 12.31 22.1628 87.4736 1.45079 89.0155 81.2371 TIMING: 648200 CPU: 1946.07, 0.00300164/step Wall: 1946.07, 0.00300164/step, 3.62848 hours remaining, 209.132812 MB of memory in use. ENERGY: 648200 776.1695 2097.6119 1924.6187 111.0819 -206658.5786 18157.6542 0.0000 0.0000 34517.0195 -149074.4229 301.4457 -183591.4424 -148974.5348 299.6732 144.8396 178.0493 556407.5983 10.6701 10.8681 LDB: ============= START OF LOAD BALANCING ============== 1949.59 LDB: ============== END OF LOAD BALANCING =============== 1949.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1949.59 LDB: ============= START OF LOAD BALANCING ============== 1949.89 LDB: Largest compute 4794 load 0.030154 is 25.6% of average load 0.117886 LDB: Average compute 0.001728 is 1.5% of average load 0.117886 LDB: TIME 1949.89 LOAD: AVG 0.117886 MAX 0.206685 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.609 MB LDB: TIME 1949.89 LOAD: AVG 0.117886 MAX 0.206685 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.609 MB LDB: TIME 1949.89 LOAD: AVG 0.117886 MAX 0.206685 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.609 MB LDB: ============== END OF LOAD BALANCING =============== 1949.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1949.9 PRESSURE: 648400 -187.222 -45.3367 32.7201 -45.3377 -479.952 33.2394 32.7204 33.2393 144.445 GPRESSURE: 648400 -159.795 -93.8213 66.2645 -58.6181 -366.92 -82.3653 187.095 29.741 92.149 PRESSAVG: 648400 7.96533 14.0894 -29.7808 14.0894 -1.51473 -18.6077 -29.7808 -18.6078 -13.8632 GPRESSAVG: 648400 7.17441 13.8877 -27.0513 13.498 1.77268 -20.2793 -28.7882 -20.1167 -15.973 TIMING: 648400 CPU: 1946.68, 0.00305373/step Wall: 1946.68, 0.00305373/step, 3.69128 hours remaining, 207.960938 MB of memory in use. ENERGY: 648400 727.3328 2101.7459 1956.1777 117.3929 -205689.0845 17337.6834 0.0000 0.0000 34485.1725 -148963.5792 301.1676 -183448.7517 -148864.0099 300.5640 -174.2430 -144.8551 558929.3041 -2.4709 -2.3420 PRESSURE: 648600 30.2879 155.524 95.5828 155.524 -93.254 75.4383 95.5843 75.4388 155.597 GPRESSURE: 648600 41.1796 177.289 89.528 295 -50.5713 135.996 -33.9237 -35.6951 205.884 PRESSAVG: 648600 -89.0621 -12.3737 -27.9761 -12.3737 -19.3445 -11.7002 -27.9762 -11.7001 65.6876 GPRESSAVG: 648600 -87.6724 -12.4022 -29.672 -10.6661 -21.8742 -13.9671 -29.3144 -8.94475 66.6731 TIMING: 648600 CPU: 1947.28, 0.00300191/step Wall: 1947.28, 0.00300191/step, 3.62848 hours remaining, 208.164062 MB of memory in use. ENERGY: 648600 770.9797 2138.0270 1928.1950 112.6390 -206069.4868 17831.9032 0.0000 0.0000 34186.0139 -149101.7290 298.5550 -183287.7429 -149001.8455 300.0672 30.8770 65.4975 559121.8181 -14.2397 -14.2912 PRESSURE: 648800 66.6005 49.6074 -5.91859 49.6067 -15.8323 -83.0619 -5.91813 -83.0632 -58.1172 GPRESSURE: 648800 51.9513 22.9293 49.7063 68.6346 88.0632 -62.5148 -61.0781 -76.004 -42.8015 PRESSAVG: 648800 10.759 22.2074 -28.4618 22.2074 -28.8267 33.3416 -28.462 33.3416 42.3413 GPRESSAVG: 648800 10.5162 22.4478 -28.665 22.4457 -27.7768 35.3129 -27.5964 32.311 40.961 TIMING: 648800 CPU: 1947.88, 0.00298917/step Wall: 1947.88, 0.00298917/step, 3.61291 hours remaining, 208.164062 MB of memory in use. ENERGY: 648800 719.2189 2101.4339 1933.6529 114.5894 -206225.9767 17836.3248 0.0000 0.0000 34255.5681 -149265.1887 299.1624 -183520.7568 -149161.5841 299.7223 -2.4496 32.4043 558428.0045 8.0912 7.9001 PRESSURE: 649000 -238.99 147.867 -76.4609 147.868 -86.8147 53.0391 -76.4632 53.0381 -25.1591 GPRESSURE: 649000 -181.03 154.233 -103.295 152.667 -99.7352 102.542 27.863 -18.7353 31.4249 PRESSAVG: 649000 28.6991 17.4729 -45.1614 17.4729 5.48584 -7.3374 -45.1615 -7.33743 -27.906 GPRESSAVG: 649000 28.6981 16.99 -44.713 16.5032 6.09127 -4.99321 -45.3285 -8.21329 -28.3093 TIMING: 649000 CPU: 1948.48, 0.00300173/step Wall: 1948.48, 0.00300173/step, 3.62792 hours remaining, 208.164062 MB of memory in use. ENERGY: 649000 755.4208 2063.1466 1924.0734 108.9651 -206069.5015 17781.4540 0.0000 0.0000 34260.4334 -149176.0082 299.2049 -183436.4416 -149073.5911 298.6563 -116.9881 -83.1135 557648.3346 2.0930 2.1600 PRESSURE: 649200 180.132 -131.946 -129.169 -131.947 -81.8669 31.9269 -129.168 31.9257 277.052 GPRESSURE: 649200 230.86 -54.1934 -155.557 -117.062 -9.71304 -28.3235 -85.3836 1.38714 252.153 PRESSAVG: 649200 0.0455243 12.2118 -52.0908 12.2117 3.9288 -2.2803 -52.0908 -2.28025 43.9438 GPRESSAVG: 649200 0.64276 13.2359 -52.2529 11.9493 3.11887 -4.31029 -52.4947 -2.45005 44.4198 TIMING: 649200 CPU: 1949.08, 0.00299665/step Wall: 1949.08, 0.00299665/step, 3.62162 hours remaining, 208.164062 MB of memory in use. ENERGY: 649200 762.0875 2104.4316 1942.2583 118.5012 -205955.4011 17941.1568 0.0000 0.0000 33913.5919 -149173.3738 296.1758 -183086.9657 -149076.2664 299.6168 125.1059 157.7667 557311.1062 15.9727 16.0605 PRESSURE: 649400 -170.165 103.822 -152.503 103.821 98.8084 -2.72479 -152.503 -2.72305 98.3406 GPRESSURE: 649400 -98.3432 21.5346 -96.1918 74.9969 76.877 -5.8067 -180.255 -21.2771 149.798 PRESSAVG: 649400 -41.0543 94.1338 -23.7887 94.1337 4.81331 -34.3081 -23.7888 -34.3081 37.1303 GPRESSAVG: 649400 -40.8431 94.0017 -26.8169 92.6418 3.40505 -34.074 -26.2853 -34.5041 37.9333 TIMING: 649400 CPU: 1949.68, 0.0029963/step Wall: 1949.68, 0.0029963/step, 3.62103 hours remaining, 208.164062 MB of memory in use. ENERGY: 649400 710.0133 2124.7238 1962.6031 114.0375 -206023.7045 17651.8975 0.0000 0.0000 34161.2841 -149299.1452 298.3390 -183460.4293 -149202.6104 298.8171 8.9946 42.7772 557327.5621 0.2964 0.1651 PRESSURE: 649600 -68.011 75.348 50.8321 75.3474 -153.698 28.6629 50.8296 28.6628 -243.773 GPRESSURE: 649600 -109.396 17.9588 -11.0846 161.083 -126.309 48.3828 28.97 -1.21439 -122.624 PRESSAVG: 649600 -32.0193 50.3785 1.77952 50.3784 43.0031 -47.4343 1.77961 -47.4343 32.2964 GPRESSAVG: 649600 -33.8552 49.4414 7.53882 52.8515 44.1922 -48.341 2.43721 -45.913 32.258 TIMING: 649600 CPU: 1950.28, 0.00303132/step Wall: 1950.28, 0.00303132/step, 3.66318 hours remaining, 208.164062 MB of memory in use. ENERGY: 649600 744.1281 2078.2131 1928.1151 107.1488 -205916.9343 17718.9329 0.0000 0.0000 33885.3358 -149455.0604 295.9291 -183340.3962 -149360.8891 298.7097 -155.1605 -119.4429 558921.0150 14.4268 14.1983 PRESSURE: 649800 -163.986 -39.2944 -257.668 -39.2933 -11.4825 -191.256 -257.667 -191.256 102.003 GPRESSURE: 649800 -89.7307 -26.308 -290.736 -46.201 11.5559 -118.941 -224.939 -201.622 93.7451 PRESSAVG: 649800 -18.8666 26.6511 -32.9618 26.6511 -5.30891 -26.1258 -32.9617 -26.1258 -5.32729 GPRESSAVG: 649800 -18.9492 29.3904 -36.8914 23.5238 -5.51523 -24.7039 -32.3906 -26.9316 -5.7077 TIMING: 649800 CPU: 1950.89, 0.00303257/step Wall: 1950.89, 0.00303257/step, 3.66452 hours remaining, 208.164062 MB of memory in use. ENERGY: 649800 726.0203 2071.6166 1935.5318 117.6113 -206271.1001 17794.4568 0.0000 0.0000 34367.8551 -149258.0081 300.1430 -183625.8633 -149163.0711 298.8325 -24.4885 5.1901 557785.3949 -9.8343 -10.0574 PRESSURE: 650000 -0.801929 235.536 -3.45168 235.535 -220.327 -54.118 -3.45166 -54.1185 121.921 GPRESSURE: 650000 15.8468 230.144 -1.10606 211.981 -188.373 -0.771215 -56.9048 -115.645 162.379 PRESSAVG: 650000 -76.5252 17.5113 -21.0469 17.5114 8.66356 -54.2923 -21.0468 -54.2921 54.2027 GPRESSAVG: 650000 -76.374 14.9468 -21.2916 19.417 8.78353 -55.8774 -20.8869 -53.8497 52.872 TIMING: 650000 CPU: 1951.49, 0.00301566/step Wall: 1951.49, 0.00301566/step, 3.64392 hours remaining, 208.164062 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: 650000 759.9286 2090.0875 1902.0669 109.5544 -206113.6815 17722.0761 0.0000 0.0000 34302.8074 -149227.1606 299.5749 -183529.9680 -149119.0402 298.7794 -33.0690 -3.3823 557505.5756 -4.5530 -4.9061 PRESSURE: 650200 -210.965 156.734 84.1575 156.734 -317.241 -70.3169 84.1583 -70.3163 -64.2014 GPRESSURE: 650200 -183.685 140.262 156.999 145.3 -224.689 -75.6476 55.1249 -15.4369 -74.8561 PRESSAVG: 650200 -37.4492 12.0484 -54.1054 12.0484 75.7679 28.3506 -54.1055 28.3505 16.0422 GPRESSAVG: 650200 -36.6878 10.7529 -52.4023 12.2879 75.4351 32.2672 -55.851 27.3436 16.0205 TIMING: 650200 CPU: 1952.1, 0.0030333/step Wall: 1952.1, 0.0030333/step, 3.66506 hours remaining, 208.164062 MB of memory in use. ENERGY: 650200 794.9401 2043.7546 1916.0009 136.2204 -206081.4375 17635.9750 0.0000 0.0000 34207.1386 -149347.4079 298.7394 -183554.5465 -149252.1998 299.2756 -197.4692 -161.0767 558050.6447 18.1203 18.2559 PRESSURE: 650400 96.4037 43.4154 74.2434 43.4167 -206.456 -96.3637 74.243 -96.365 207.268 GPRESSURE: 650400 140.669 31.2663 212.267 157.376 -165.161 -100.947 29.7005 -69.1429 202.934 PRESSAVG: 650400 3.65069 100.365 39.1747 100.365 -30.9515 -42.076 39.1746 -42.0761 42.4236 GPRESSAVG: 650400 3.96625 100.917 39.939 99.6543 -31.0292 -43.2136 38.3545 -44.7307 41.6948 TIMING: 650400 CPU: 1952.7, 0.00300887/step Wall: 1952.7, 0.00300887/step, 3.63538 hours remaining, 208.164062 MB of memory in use. ENERGY: 650400 743.6800 2174.6487 1944.8204 106.6410 -206483.6840 18024.7173 0.0000 0.0000 34172.4465 -149316.7302 298.4365 -183489.1766 -149222.6201 298.7896 32.4054 59.4806 558873.8199 5.0409 4.8773 PRESSURE: 650600 190.222 -23.0563 -118.519 -23.0543 -58.6121 -64.7569 -118.52 -64.7574 13.5481 GPRESSURE: 650600 175.586 -132.237 -159.412 -0.789604 20.4013 -25.5145 -6.62941 -104.388 37.7783 PRESSAVG: 650600 54.1848 -1.5471 10.3196 -1.54707 -81.5505 -14.2084 10.3196 -14.2084 53.5754 GPRESSAVG: 650600 53.4435 -0.135994 8.20954 -0.271206 -81.7447 -15.2852 12.4124 -10.4102 54.2681 TIMING: 650600 CPU: 1953.3, 0.00299154/step Wall: 1953.3, 0.00299154/step, 3.61428 hours remaining, 208.164062 MB of memory in use. ENERGY: 650600 723.1360 2121.3246 1953.3734 107.7300 -206178.2831 17792.9162 0.0000 0.0000 34211.7804 -149268.0224 298.7800 -183479.8029 -149167.8733 299.0010 48.3858 77.9219 557922.4918 8.7366 8.6556 PRESSURE: 650800 15.6473 -33.6605 -231.935 -33.6594 -58.8939 49.471 -231.935 49.472 74.9876 GPRESSURE: 650800 69.1928 -74.2183 -231.981 -0.423852 -28.181 86.0852 -308.383 1.50072 95.2685 PRESSAVG: 650800 78.2688 -13.0467 37.6032 -13.0466 13.6093 -68.705 37.6031 -68.7049 -94.5405 GPRESSAVG: 650800 78.2972 -13.3887 37.7879 -13.9516 13.2422 -69.5261 36.2128 -68.8987 -94.3651 TIMING: 650800 CPU: 1953.9, 0.00297596/step Wall: 1953.9, 0.00297596/step, 3.59529 hours remaining, 208.164062 MB of memory in use. ENERGY: 650800 733.7161 2083.4989 1950.1821 115.8399 -205794.1436 17596.8998 0.0000 0.0000 34145.1942 -149168.8126 298.1985 -183314.0068 -149081.3151 299.3291 10.5803 45.4268 556787.5168 -0.8875 -0.9419 PRESSURE: 651000 97.8654 -41.029 -157.381 -41.0296 103.905 26.3763 -157.381 26.3754 435.587 GPRESSURE: 651000 102.067 -100.762 -164.477 -17.0635 141.336 31.6483 -128.51 -46.5049 486.87 PRESSAVG: 651000 5.3395 -46.1358 -93.6944 -46.1358 -21.4547 5.2142 -93.6944 5.21414 29.9023 GPRESSAVG: 651000 4.54217 -45.7105 -92.9173 -47.8464 -21.7343 6.45795 -92.9822 5.3015 30.1482 TIMING: 651000 CPU: 1954.49, 0.00298438/step Wall: 1954.49, 0.00298438/step, 3.6053 hours remaining, 208.164062 MB of memory in use. ENERGY: 651000 741.6200 2054.1798 1913.8127 129.5651 -206325.9470 18045.8613 0.0000 0.0000 34323.5057 -149117.4024 299.7557 -183440.9082 -149023.8453 299.2112 212.4527 243.4242 555246.1930 4.5957 4.3187 PRESSURE: 651200 -89.784 125.737 33.0509 125.737 -211.252 59.0522 33.0493 59.0524 -124.096 GPRESSURE: 651200 -62.6491 109.435 10.0199 168.837 -156.383 141.643 -24.9544 94.9075 -116.635 PRESSAVG: 651200 -8.91448 14.3273 -40.0067 14.3273 -44.6472 2.76044 -40.0066 2.76048 60.8762 GPRESSAVG: 651200 -8.52311 12.2151 -38.6013 16.2224 -44.3248 4.04809 -40.8016 0.530374 59.5048 TIMING: 651200 CPU: 1955.09, 0.00297958/step Wall: 1955.09, 0.00297958/step, 3.59933 hours remaining, 208.164062 MB of memory in use. ENERGY: 651200 756.9905 2108.5073 1945.7680 112.5417 -205636.8777 17424.4183 0.0000 0.0000 34428.2229 -148860.4291 300.6702 -183288.6519 -148768.1891 299.9765 -141.7107 -111.8889 556730.1576 2.4382 2.2190 PRESSURE: 651400 53.4825 63.495 -1.59423 63.4949 -235.305 -53.9674 -1.59415 -53.9687 72.5848 GPRESSURE: 651400 68.1463 92.9256 -121.793 50.5691 -202.822 -88.0757 73.9802 -68.6179 134.751 PRESSAVG: 651400 -15.4972 49.3594 -88.5445 49.3594 -54.3695 22.0877 -88.5445 22.0876 118.98 GPRESSAVG: 651400 -16.1977 50.2425 -90.2839 49.0474 -54.5408 21.4919 -85.743 22.7437 119.565 TIMING: 651400 CPU: 1955.68, 0.00296155/step Wall: 1955.68, 0.00296155/step, 3.57739 hours remaining, 208.164062 MB of memory in use. ENERGY: 651400 772.2554 2035.8213 1962.1820 94.7056 -205888.9977 17665.3621 0.0000 0.0000 34414.6922 -148943.9790 300.5521 -183358.6712 -148836.8854 300.2884 -36.4125 0.0250 556938.2673 16.3712 16.2754 PRESSURE: 651600 94.1539 160.791 -0.918772 160.79 358.067 58.3054 -0.9188 58.3043 393.513 GPRESSURE: 651600 75.0297 75.6489 -100.333 138.228 385.419 -16.4537 118.167 102.291 472.494 PRESSAVG: 651600 -29.4931 5.77194 -59.051 5.7719 -39.3361 35.2275 -59.051 35.2274 79.7411 GPRESSAVG: 651600 -28.4822 5.34662 -57.1664 6.88741 -39.4971 34.3011 -60.1334 35.2909 79.2468 TIMING: 651600 CPU: 1956.27, 0.0029462/step Wall: 1956.27, 0.0029462/step, 3.55868 hours remaining, 208.164062 MB of memory in use. ENERGY: 651600 708.0071 2078.0616 1960.8590 117.2990 -206760.8341 18226.3452 0.0000 0.0000 34530.0246 -149140.2376 301.5593 -183670.2622 -149040.6382 299.6542 281.9113 310.9809 555652.3489 3.6373 3.7558 PRESSURE: 651800 19.7037 -88.6676 60.7688 -88.6675 -176.777 114.37 60.7687 114.369 -21.5888 GPRESSURE: 651800 0.63192 -28.7631 116.713 -99.6205 -88.1259 26.9427 24.9147 188.574 -7.58649 PRESSAVG: 651800 0.210052 10.0912 20.9812 10.0912 -13.9737 21.4343 20.9811 21.4343 18.4881 GPRESSAVG: 651800 -0.263265 11.3531 18.4767 7.47707 -15.2459 20.7933 22.0258 22.46 19.9832 TIMING: 651800 CPU: 1956.86, 0.00295958/step Wall: 1956.86, 0.00295958/step, 3.57468 hours remaining, 208.164062 MB of memory in use. ENERGY: 651800 720.0968 2077.0831 1940.2651 110.7820 -205987.5971 17769.0942 0.0000 0.0000 34252.2693 -149118.0066 299.1336 -183370.2759 -149021.3703 299.8856 -59.5540 -31.6935 557609.5269 1.5748 1.4914 PRESSURE: 652000 -153.975 19.8478 -37.4813 19.849 28.1353 -112.483 -37.4815 -112.484 -30.6533 GPRESSURE: 652000 -68.1415 70.1453 11.6518 41.811 20.4045 -36.1434 -82.3149 -64.9608 -13.0601 PRESSAVG: 652000 -74.5884 24.3745 -39.5301 24.3745 64.1814 -60.5152 -39.5302 -60.5151 -1.87556 GPRESSAVG: 652000 -73.2124 24.2017 -38.1283 27.1571 63.9684 -59.1646 -40.3511 -62.4541 -3.09077 TIMING: 652000 CPU: 1957.45, 0.00296314/step Wall: 1957.45, 0.00296314/step, 3.57882 hours remaining, 208.164062 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: 652000 765.7151 2068.3400 1969.5338 120.0939 -206196.1954 17794.9583 0.0000 0.0000 34270.4748 -149207.0796 299.2926 -183477.5544 -149108.1077 299.4300 -52.1644 -20.2657 557005.6449 -4.0942 -4.1116 PRESSURE: 652200 -191.309 -46.7723 -182.137 -46.7718 -101.269 106.58 -182.137 106.58 109.151 GPRESSURE: 652200 -90.1363 -65.3996 -200.471 -136.25 -140.628 110.603 -100.711 90.7271 142.78 PRESSAVG: 652200 -69.8341 -10.3627 -38.9181 -10.3627 12.9175 -53.6496 -38.9182 -53.6497 88.7156 GPRESSAVG: 652200 -69.8608 -11.1118 -38.7664 -9.89783 12.8185 -54.6385 -36.7358 -54.0073 89.367 TIMING: 652200 CPU: 1958.05, 0.00297492/step Wall: 1958.05, 0.00297492/step, 3.59288 hours remaining, 208.164062 MB of memory in use. ENERGY: 652200 764.7070 2062.6297 1975.5985 109.1985 -205658.6253 17615.6598 0.0000 0.0000 34023.9748 -149106.8570 297.1398 -183130.8318 -149019.2042 299.2288 -61.1424 -29.3280 558300.7560 10.5997 10.7749 LDB: ============= START OF LOAD BALANCING ============== 1961.56 LDB: ============== END OF LOAD BALANCING =============== 1961.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1961.57 LDB: ============= START OF LOAD BALANCING ============== 1961.87 LDB: Largest compute 4794 load 0.029797 is 25.3% of average load 0.117851 LDB: Average compute 0.001729 is 1.5% of average load 0.117851 LDB: TIME 1961.87 LOAD: AVG 0.117851 MAX 0.205718 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.18 MB LDB: TIME 1961.87 LOAD: AVG 0.117851 MAX 0.205718 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.383 MB LDB: TIME 1961.87 LOAD: AVG 0.117851 MAX 0.205718 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.383 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1961.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1961.87 PRESSURE: 652400 150.04 -106.33 31.4171 -106.33 160.62 73.2917 31.4182 73.2903 288.36 GPRESSURE: 652400 216.335 -106.992 49.7463 -57.9274 175.045 50.1796 11.7065 133.737 310.481 PRESSAVG: 652400 -51.1043 -12.4543 -45.8646 -12.4543 -59.8165 7.83014 -45.8645 7.83014 85.7249 GPRESSAVG: 652400 -51.0726 -12.5978 -48.0998 -15.0066 -59.472 8.38081 -46.5425 8.05546 85.3255 TIMING: 652400 CPU: 1958.66, 0.00304339/step Wall: 1958.66, 0.00304339/step, 3.6754 hours remaining, 207.652344 MB of memory in use. ENERGY: 652400 692.7439 2043.2355 1950.0122 106.3730 -206592.7769 18242.8662 0.0000 0.0000 34404.5248 -149153.0211 300.4633 -183557.5460 -149057.7150 299.2441 199.6731 233.9539 556547.4411 -8.3986 -8.4064 PRESSURE: 652600 67.5717 -190.008 -184.184 -190.008 -5.73494 -257.165 -184.184 -257.165 156.756 GPRESSURE: 652600 138.62 -171.589 -240.051 -121.522 -0.129381 -241.258 -144.43 -214.746 172.083 PRESSAVG: 652600 -11.6455 15.6443 -50.1358 15.6443 0.140306 -7.78538 -50.1359 -7.78539 -11.6675 GPRESSAVG: 652600 -11.563 15.9168 -49.0467 16.9761 0.610496 -8.86168 -49.6419 -7.22631 -12.2424 TIMING: 652600 CPU: 1959.26, 0.00302079/step Wall: 1959.26, 0.00302079/step, 3.64795 hours remaining, 207.652344 MB of memory in use. ENERGY: 652600 761.4435 2086.2513 1949.4631 134.7244 -206396.0422 17921.5269 0.0000 0.0000 34383.2213 -149159.4117 300.2772 -183542.6329 -149057.7823 299.3921 72.8641 103.5247 558176.8654 -7.7242 -7.7316 PRESSURE: 652800 15.1838 126.465 27.116 126.466 130.588 100.208 27.1142 100.207 -140.806 GPRESSURE: 652800 82.5899 40.7882 95.6401 78.9091 123.508 126.453 83.5544 29.0557 -102.088 PRESSAVG: 652800 20.7702 -10.8947 -7.25098 -10.8946 -3.85204 13.4051 -7.25097 13.405 -18.5129 GPRESSAVG: 652800 19.9993 -10.32 -6.79273 -10.8769 -5.21856 13.389 -8.09923 13.0648 -16.3063 TIMING: 652800 CPU: 1959.87, 0.00303066/step Wall: 1959.87, 0.00303066/step, 3.65969 hours remaining, 207.652344 MB of memory in use. ENERGY: 652800 703.8498 2099.6555 1940.6039 116.2270 -206139.9330 17919.4672 0.0000 0.0000 34224.8632 -149135.2664 298.8942 -183360.1296 -149045.5290 299.2323 1.6554 34.6701 560667.2754 -0.5316 -0.5085 PRESSURE: 653000 26.0658 16.8047 -96.4937 16.8028 145.689 194.635 -96.4922 194.635 214.238 GPRESSURE: 653000 106.403 -71.544 -163.357 59.8785 179.533 170.13 -77.4167 168.651 207.926 PRESSAVG: 653000 -48.9883 101.217 -1.35943 101.217 30.0223 22.2849 -1.35946 22.285 -4.40259 GPRESSAVG: 653000 -49.1737 102.29 -2.70816 101.475 31.2738 23.2633 -1.26612 21.1871 -4.94032 TIMING: 653000 CPU: 1960.47, 0.00301369/step Wall: 1960.47, 0.00301369/step, 3.63903 hours remaining, 207.652344 MB of memory in use. ENERGY: 653000 715.2343 2065.5661 1982.0998 119.1136 -206384.1131 17994.6067 0.0000 0.0000 34340.0259 -149167.4665 299.9000 -183507.4924 -149075.2851 299.0735 128.6642 164.6208 559156.2925 -7.7895 -7.6134 PRESSURE: 653200 -202.213 32.4805 39.1513 32.4795 -114.132 -23.3163 39.15 -23.3168 -131.194 GPRESSURE: 653200 -161.14 27.6555 43.3854 18.5231 -79.9221 10.8087 10.089 69.3898 -114.935 PRESSAVG: 653200 -50.8738 65.346 -27.0054 65.346 30.9605 14.5671 -27.0054 14.567 51.3793 GPRESSAVG: 653200 -51.2823 63.5376 -26.7544 66.6169 30.7911 12.8914 -25.9223 16.1132 51.3001 TIMING: 653200 CPU: 1961.07, 0.00300685/step Wall: 1961.07, 0.00300685/step, 3.6306 hours remaining, 207.652344 MB of memory in use. ENERGY: 653200 761.8095 2067.0904 1952.9289 115.0695 -205884.0644 17648.6309 0.0000 0.0000 34254.5185 -149084.0167 299.1532 -183338.5352 -148979.5827 299.4687 -149.1797 -118.6655 559139.3489 10.4887 10.2696 PRESSURE: 653400 40.8654 -85.975 66.308 -85.9738 -291.77 82.8536 66.3087 82.8535 -263.671 GPRESSURE: 653400 107.5 -136.778 20.2962 -49.0076 -209.092 -90.325 160.609 150.566 -327.461 PRESSAVG: 653400 -33.0749 -26.1055 2.34345 -26.1054 2.60844 12.9847 2.34345 12.9846 15.17 GPRESSAVG: 653400 -33.4728 -24.4398 3.32865 -29.1513 3.62598 12.1058 2.7948 13.9636 14.1533 TIMING: 653400 CPU: 1961.67, 0.00299886/step Wall: 1961.67, 0.00299886/step, 3.62079 hours remaining, 207.652344 MB of memory in use. ENERGY: 653400 739.9451 2060.5526 1931.8079 112.6290 -205681.0629 17466.0554 0.0000 0.0000 34151.6063 -149218.4666 298.2545 -183370.0729 -149124.5072 299.5916 -171.5252 -143.0178 559672.6786 -5.0988 -5.2312 PRESSURE: 653600 -27.2279 -20.3615 -146.668 -20.362 -323.795 -63.2649 -146.668 -63.2642 -230.971 GPRESSURE: 653600 -59.772 -20.023 -155.659 -68.259 -205.309 -89.3791 -96.9159 -84.9321 -217.483 PRESSAVG: 653600 -19.6645 13.4562 -0.505133 13.4562 -18.3693 -9.90957 -0.505049 -9.90949 43.3245 GPRESSAVG: 653600 -19.3513 12.3071 -1.60949 14.1417 -19.0818 -8.39033 -2.00935 -12.6152 43.6083 TIMING: 653600 CPU: 1962.27, 0.0029887/step Wall: 1962.27, 0.0029887/step, 3.60836 hours remaining, 207.652344 MB of memory in use. ENERGY: 653600 736.8800 2066.7637 1929.3066 125.2725 -205769.3937 17473.9658 0.0000 0.0000 34371.3033 -149065.9018 300.1731 -183437.2051 -148971.8826 298.6236 -193.9979 -160.8548 558199.8931 1.7636 1.7251 PRESSURE: 653800 31.1942 132.264 28.8914 132.263 32.101 -91.9037 28.8923 -91.9047 -119.699 GPRESSURE: 653800 89.4838 245.312 62.4682 158.773 37.8789 -78.2298 -31.4024 -73.6523 -72.1961 PRESSAVG: 653800 -49.6388 71.566 -3.841 71.566 62.605 -40.0742 -3.84104 -40.0742 55.8752 GPRESSAVG: 653800 -48.7635 74.6178 -1.09794 71.0494 62.6707 -40.3891 -5.63346 -39.0782 54.9319 TIMING: 653800 CPU: 1962.87, 0.00301787/step Wall: 1962.87, 0.00301787/step, 3.64341 hours remaining, 207.652344 MB of memory in use. ENERGY: 653800 746.3774 2120.3665 1943.8769 110.2418 -206006.5068 17726.9582 0.0000 0.0000 34300.7001 -149057.9860 299.5565 -183358.6861 -148959.5578 300.0030 -18.8011 18.3889 557827.3057 22.9471 22.9464 PRESSURE: 654000 -183.967 41.4174 -183.818 41.4186 -246.86 -0.36069 -183.818 -0.361819 72.0837 GPRESSURE: 654000 -108.794 -76.3615 -242.483 30.1638 -246.619 -147.082 -35.7299 83.7327 101.421 PRESSAVG: 654000 -37.2979 49.72 -13.8863 49.7199 15.9038 -78.7864 -13.8864 -78.7864 6.84239 GPRESSAVG: 654000 -37.9209 48.0642 -16.8822 49.2773 15.7658 -79.469 -11.4204 -77.7668 7.55645 TIMING: 654000 CPU: 1963.48, 0.00301922/step Wall: 1963.48, 0.00301922/step, 3.64486 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: 654000 739.7994 2135.0299 1949.2480 112.3297 -205792.1695 17475.9964 0.0000 0.0000 34386.5197 -148993.2463 300.3060 -183379.7660 -148894.0870 299.5686 -119.5811 -84.6642 557161.4926 -4.8506 -4.8662 PRESSURE: 654200 16.6979 152.89 -78.5545 152.891 323.399 -25.4593 -78.5537 -25.4598 -230.863 GPRESSURE: 654200 155.62 255.811 -53.2955 111.732 245.87 -26.3819 -54.0581 -116.165 -208.565 PRESSAVG: 654200 -47.5871 -2.10312 -3.01847 -2.10315 -1.39064 -16.0079 -3.01858 -16.0079 36.495 GPRESSAVG: 654200 -47.6317 -3.61219 -0.840617 -2.52006 -1.582 -14.9499 -3.41136 -17.8257 35.9413 TIMING: 654200 CPU: 1964.08, 0.00299304/step Wall: 1964.08, 0.00299304/step, 3.6131 hours remaining, 207.652344 MB of memory in use. ENERGY: 654200 726.8885 2097.4907 1945.8708 109.9332 -206230.1117 17866.4625 0.0000 0.0000 34278.9516 -149204.5144 299.3666 -183483.4661 -149111.1694 299.8418 36.4111 64.3083 556197.8509 -4.1609 -4.4241 PRESSURE: 654400 -18.5171 105.141 -48.8081 105.141 135.656 -24.8337 -48.8092 -24.8334 33.544 GPRESSURE: 654400 -23.538 49.2938 -113.798 61.4457 208.924 46.6762 -64.9494 -41.511 73.097 PRESSAVG: 654400 8.85735 8.40466 10.1221 8.40474 10.9331 18.6435 10.1222 18.6435 -31.3988 GPRESSAVG: 654400 7.88971 8.97156 8.50081 7.73011 11.8862 18.8111 8.19117 20.7 -31.0358 TIMING: 654400 CPU: 1964.68, 0.00300717/step Wall: 1964.68, 0.00300717/step, 3.62998 hours remaining, 207.652344 MB of memory in use. ENERGY: 654400 706.9644 2103.8714 1950.2912 121.9324 -205749.6706 17678.8846 0.0000 0.0000 34236.8730 -148950.8537 298.9991 -183187.7267 -148855.3613 299.2524 50.2278 86.1612 557456.6495 -3.8694 -3.7533 PRESSURE: 654600 -309.858 -153.369 31.7372 -153.37 -73.2706 -60.5286 31.7363 -60.5268 -213.275 GPRESSURE: 654600 -235.365 -100.187 8.19518 -114.174 -4.15698 -57.9079 22.6985 -92.5482 -239.935 PRESSAVG: 654600 -39.449 35.7584 17.1472 35.7584 7.82107 6.41087 17.1472 6.41095 40.4844 GPRESSAVG: 654600 -40.0261 34.5188 19.0355 37.1031 8.14559 5.55506 17.4156 5.79185 40.9565 TIMING: 654600 CPU: 1965.28, 0.00300706/step Wall: 1965.28, 0.00300706/step, 3.62969 hours remaining, 207.652344 MB of memory in use. ENERGY: 654600 703.5793 2099.4682 1952.0531 107.8236 -205722.8505 17422.6546 0.0000 0.0000 34486.8215 -148950.4502 301.1820 -183437.2717 -148852.0654 299.7611 -198.8010 -159.8193 557383.8492 2.9521 3.0253 PRESSURE: 654800 -165.497 46.8665 -105.693 46.867 116.489 -1.72408 -105.692 -1.72334 -232.874 GPRESSURE: 654800 -188.449 0.119086 -73.7977 149.184 129.686 95.596 -155.874 -24.9959 -129.382 PRESSAVG: 654800 -89.0017 33.5255 -24.8055 33.5255 49.7314 -9.94765 -24.8054 -9.94782 3.30948 GPRESSAVG: 654800 -87.8943 35.9147 -23.9309 32.0356 48.6946 -8.21932 -23.6532 -9.32383 3.05914 TIMING: 654800 CPU: 1965.88, 0.0030103/step Wall: 1965.88, 0.0030103/step, 3.63343 hours remaining, 207.652344 MB of memory in use. ENERGY: 654800 731.9457 2053.0788 1921.8556 121.1773 -205913.7061 17720.0968 0.0000 0.0000 34209.2206 -149156.3312 298.7576 -183365.5519 -149054.7121 300.2380 -93.9609 -62.7150 558615.1078 -11.9870 -12.0468 PRESSURE: 655000 19.0558 43.6883 -116.016 43.6873 30.7918 65.3043 -116.014 65.3023 -154.455 GPRESSURE: 655000 45.616 -7.82024 -101.465 44.2067 93.4969 106.951 -86.412 21.5713 -144.541 PRESSAVG: 655000 -22.9672 -26.9814 14.6758 -26.9814 54.5194 3.12787 14.6759 3.12794 -26.4764 GPRESSAVG: 655000 -24.4264 -30.0963 12.9668 -24.3719 54.6222 2.76642 15.8281 1.87548 -25.7827 TIMING: 655000 CPU: 1966.48, 0.00299758/step Wall: 1966.48, 0.00299758/step, 3.61791 hours remaining, 207.652344 MB of memory in use. ENERGY: 655000 732.1618 2080.7200 1910.7460 112.1535 -206201.6465 17853.5311 0.0000 0.0000 34350.4271 -149161.9070 299.9908 -183512.3341 -149065.9690 298.9069 -34.8691 -1.8093 558459.7024 1.6920 1.4710 PRESSURE: 655200 -28.8318 13.6911 -190.749 13.6904 -99.6931 -83.86 -190.75 -83.8598 68.6599 GPRESSURE: 655200 -3.98638 49.1077 -214.05 -3.77533 -112.02 -113.882 -185.046 -58.1999 146.181 PRESSAVG: 655200 -28.4258 17.6869 4.85521 17.687 22.9259 -11.4152 4.85514 -11.4151 -8.36914 GPRESSAVG: 655200 -28.622 18.1265 3.8177 14.6613 23.1503 -12.0236 5.14838 -11.9176 -8.56854 TIMING: 655200 CPU: 1967.08, 0.00299474/step Wall: 1967.08, 0.00299474/step, 3.61432 hours remaining, 207.652344 MB of memory in use. ENERGY: 655200 750.7369 2077.3521 1914.2213 115.5857 -206021.3252 17743.2596 0.0000 0.0000 34243.8862 -149176.2834 299.0604 -183420.1696 -149084.7845 299.6393 -19.9550 10.0582 557906.4809 -4.6230 -4.6801 PRESSURE: 655400 -106.993 6.23339 -9.20151 6.2341 232.5 8.52865 -9.20132 8.52819 -40.1993 GPRESSURE: 655400 -43.4152 -17.4686 -20.638 -36.6631 206.013 21.6018 -64.1855 19.6864 18.1136 PRESSAVG: 655400 -1.45196 49.7392 -35.6116 49.7392 3.62952 -2.85867 -35.6115 -2.85882 -38.3757 GPRESSAVG: 655400 -1.13718 48.1202 -34.1724 53.7586 3.80069 -4.0539 -37.6626 -1.55366 -38.9673 TIMING: 655400 CPU: 1967.68, 0.00299354/step Wall: 1967.68, 0.00299354/step, 3.6127 hours remaining, 207.652344 MB of memory in use. ENERGY: 655400 732.7612 2076.5025 1940.7231 109.4638 -205568.2313 17599.3640 0.0000 0.0000 33992.1786 -149117.2380 296.8622 -183109.4167 -149025.9106 298.7830 28.4358 60.2370 558375.6393 -12.0660 -12.1013 PRESSURE: 655600 12.9743 -172.808 57.519 -172.809 270.248 -71.5585 57.5186 -71.5577 -116.761 GPRESSURE: 655600 -40.8293 -209.041 69.142 -205.507 368.581 47.8705 94.3472 -95.2442 -69.8105 PRESSAVG: 655600 22.7014 -9.58848 12.5424 -9.58858 59.0003 -21.0382 12.5424 -21.0381 -77.9958 GPRESSAVG: 655600 23.226 -7.74033 13.4718 -12.7785 57.699 -20.5074 11.0626 -22.3756 -77.0258 TIMING: 655600 CPU: 1968.27, 0.00297849/step Wall: 1968.27, 0.00297849/step, 3.59437 hours remaining, 207.652344 MB of memory in use. ENERGY: 655600 761.3196 2064.6591 1947.3747 108.4696 -205857.4952 17687.6097 0.0000 0.0000 34232.3462 -149055.7163 298.9596 -183288.0624 -148958.5751 299.4116 55.4871 85.9803 557648.6007 1.2353 1.2997 PRESSURE: 655800 171.705 -81.1786 -28.7118 -81.178 -61.4027 92.7603 -28.7115 92.7608 -71.0706 GPRESSURE: 655800 207.175 -84.3893 -36.2494 -104.861 -42.385 24.6109 -10.2651 93.7549 -17.5929 PRESSAVG: 655800 8.2969 26.3634 19.3202 26.3634 4.19738 -33.3194 19.32 -33.3195 31.7579 GPRESSAVG: 655800 7.90917 26.9003 15.9545 28.0941 5.73796 -32.3959 23.8511 -32.649 30.4672 TIMING: 655800 CPU: 1968.87, 0.00298743/step Wall: 1968.87, 0.00298743/step, 3.605 hours remaining, 207.652344 MB of memory in use. ENERGY: 655800 723.2353 2094.8732 1933.7637 107.3351 -205931.1884 17823.9725 0.0000 0.0000 34207.9676 -149040.0410 298.7467 -183248.0085 -148954.9501 299.6842 13.0772 49.0656 557551.5889 14.7507 14.7048 PRESSURE: 656000 -184.941 95.8422 -24.7806 95.8419 -84.4609 34.1087 -24.781 34.1084 -109.909 GPRESSURE: 656000 -121.745 159.498 -34.4577 41.3915 -93.4595 17.7483 -19.8542 46.651 -69.3832 PRESSAVG: 656000 12.3283 19.0419 42.5266 19.042 -41.7902 9.31648 42.5267 9.31656 32.0452 GPRESSAVG: 656000 13.0712 16.8796 44.3921 18.9798 -43.2142 10.1555 40.2782 9.495 32.2472 TIMING: 656000 CPU: 1969.48, 0.00302733/step Wall: 1969.48, 0.00302733/step, 3.65298 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: 656000 731.0642 2101.2646 1953.5220 102.0672 -205837.9864 17618.9102 0.0000 0.0000 34330.1897 -149000.9685 299.8141 -183331.1582 -148898.4183 299.3664 -126.4368 -94.8625 558667.1609 0.8611 0.7014 PRESSURE: 656200 -183.323 -82.3985 23.715 -82.3987 80.5339 31.8115 23.7138 31.8107 -51.5584 GPRESSURE: 656200 -161.912 -46.3635 31.9492 -108.151 120.02 -68.3711 -75.6184 31.4632 -19.4707 PRESSAVG: 656200 -43.2772 6.83331 7.59025 6.83329 65.8595 18.0762 7.59028 18.0762 27.6021 GPRESSAVG: 656200 -45.1217 7.97971 7.80364 7.40093 66.9524 16.7627 6.86933 16.9421 28.3025 TIMING: 656200 CPU: 1970.08, 0.00299416/step Wall: 1970.08, 0.00299416/step, 3.61278 hours remaining, 207.652344 MB of memory in use. ENERGY: 656200 771.4410 2009.1687 1932.2706 99.6787 -206208.4653 17851.5210 0.0000 0.0000 34443.7274 -149100.6579 300.8056 -183544.3853 -148994.1890 299.7684 -51.4493 -20.4544 556873.3195 16.7281 16.7111 LDB: ============= START OF LOAD BALANCING ============== 1973.59 LDB: ============== END OF LOAD BALANCING =============== 1973.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1973.59 LDB: ============= START OF LOAD BALANCING ============== 1973.89 LDB: Largest compute 4794 load 0.029539 is 25.1% of average load 0.117847 LDB: Average compute 0.001731 is 1.5% of average load 0.117847 LDB: TIME 1973.89 LOAD: AVG 0.117847 MAX 0.205362 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.734 MB LDB: TIME 1973.89 LOAD: AVG 0.117847 MAX 0.205362 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.938 MB LDB: TIME 1973.89 LOAD: AVG 0.117847 MAX 0.205362 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.938 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1973.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1973.9 PRESSURE: 656400 34.1364 -162.9 -58.7744 -162.898 -216.077 -36.1495 -58.7731 -36.1512 -45.7918 GPRESSURE: 656400 28.469 -149.946 -76.4052 -131.979 -155.97 13.0812 -111.204 -53.5678 -6.03562 PRESSAVG: 656400 -97.7581 -30.7103 42.8014 -30.7103 30.3909 1.06517 42.8013 1.06503 55.2743 GPRESSAVG: 656400 -97.4454 -28.3044 42.0928 -31.3224 30.2953 0.0581436 44.0444 -0.123261 55.0175 TIMING: 656400 CPU: 1970.68, 0.00304363/step Wall: 1970.68, 0.00304363/step, 3.6723 hours remaining, 207.394531 MB of memory in use. ENERGY: 656400 740.4422 2105.5258 1942.3527 110.9622 -206218.7669 17614.8113 0.0000 0.0000 34327.0865 -149377.5863 299.7870 -183704.6727 -149275.7660 299.6797 -75.9108 -44.5122 555978.6270 -4.0310 -4.0442 PRESSURE: 656600 -105.989 -28.3398 -86.4938 -28.3395 -20.2805 87.6686 -86.4943 87.6676 33.2822 GPRESSURE: 656600 -76.3096 22.0635 -126.733 49.6688 -12.2336 51.8913 -99.1735 99.1441 83.2142 PRESSAVG: 656600 1.13237 -26.5839 -34.6238 -26.5841 -13.5396 21.9654 -34.6237 21.9655 41.3784 GPRESSAVG: 656600 2.18196 -27.6749 -33.1442 -27.7979 -13.6092 22.4379 -37.2044 24.5512 40.3246 TIMING: 656600 CPU: 1971.29, 0.00301456/step Wall: 1971.29, 0.00301456/step, 3.63707 hours remaining, 207.460938 MB of memory in use. ENERGY: 656600 771.0315 2082.6651 1906.9109 106.6040 -206114.7365 17654.6673 0.0000 0.0000 34408.5238 -149184.3339 300.4982 -183592.8577 -149089.5301 299.1613 -30.9956 -1.7763 555663.3827 9.6571 9.6324 PRESSURE: 656800 -28.1055 267.327 26.7783 267.327 -265.869 -10.6631 26.7785 -10.6633 -516.751 GPRESSURE: 656800 5.17029 244.978 47.7202 285.712 -274.164 6.96622 -0.822281 -73.6658 -443.227 PRESSAVG: 656800 3.75663 4.13714 1.65206 4.1372 0.221938 6.36889 1.65199 6.36897 -1.05513 GPRESSAVG: 656800 3.27546 3.45077 -0.630148 4.57162 -0.830394 6.56496 4.69222 5.55143 0.0508409 TIMING: 656800 CPU: 1971.89, 0.00299564/step Wall: 1971.89, 0.00299564/step, 3.61408 hours remaining, 207.460938 MB of memory in use. ENERGY: 656800 757.8133 2077.9972 1945.4644 137.6461 -205701.0980 17288.4687 0.0000 0.0000 34271.6201 -149222.0882 299.3026 -183493.7082 -149117.7048 299.0951 -270.2418 -237.4068 556791.7820 0.9745 0.8320 PRESSURE: 657000 144.07 42.6556 13.669 42.6558 110.708 84.9123 13.6704 84.9138 -56.955 GPRESSURE: 657000 194.606 72.795 36.078 58.7584 135.663 66.0922 47.1533 104.601 -54.9608 PRESSAVG: 657000 50.1827 -20.3137 57.6819 -20.3137 -17.2466 54.5715 57.6819 54.5715 -53.7609 GPRESSAVG: 657000 48.56 -22.4711 60.4385 -20.4087 -16.2401 54.493 55.4294 55.2603 -54.1266 TIMING: 657000 CPU: 1972.49, 0.00300315/step Wall: 1972.49, 0.00300315/step, 3.62297 hours remaining, 207.460938 MB of memory in use. ENERGY: 657000 767.0349 2070.4504 1943.4505 119.0173 -206079.3370 17897.8011 0.0000 0.0000 34051.4586 -149230.1243 297.3799 -183281.5829 -149131.8147 298.7391 65.9408 91.7692 558270.1144 -6.9416 -7.2689 PRESSURE: 657200 -79.4541 -89.8328 104.345 -89.8321 55.0722 -4.65392 104.343 -4.65311 -390.117 GPRESSURE: 657200 -1.39959 -89.6407 42.8571 -138.775 64.9465 49.3756 131.248 -112.645 -377.105 PRESSAVG: 657200 3.65874 15.179 -3.74297 15.1789 -1.75042 -63.8936 -3.74304 -63.8935 -10.7263 GPRESSAVG: 657200 4.55129 18.4966 -5.03108 14.967 -1.46587 -64.2506 -3.40783 -64.7605 -11.8549 TIMING: 657200 CPU: 1973.09, 0.00299241/step Wall: 1973.09, 0.00299241/step, 3.60985 hours remaining, 207.460938 MB of memory in use. ENERGY: 657200 756.4772 2056.2192 1938.1799 119.9179 -205761.3068 17717.2855 0.0000 0.0000 34081.6080 -149091.6190 297.6432 -183173.2271 -148996.2274 299.2439 -138.1662 -104.5192 560544.9393 -2.9393 -2.9232 PRESSURE: 657400 -156.63 62.6604 41.7665 62.6617 93.5503 141.494 41.7652 141.492 25.0164 GPRESSURE: 657400 -52.6119 -1.32999 119.179 16.8518 88.3945 117.005 19.6829 129.897 23.2113 PRESSAVG: 657400 29.45 0.952787 -0.374489 0.952774 -44.1713 3.45933 -0.374465 3.45941 -27.0221 GPRESSAVG: 657400 29.0081 -0.789952 -0.550678 1.64267 -45.9488 4.10222 0.710875 2.62977 -24.786 TIMING: 657400 CPU: 1973.69, 0.00300672/step Wall: 1973.69, 0.00300672/step, 3.62694 hours remaining, 207.460938 MB of memory in use. ENERGY: 657400 767.1315 2099.9892 1918.7072 104.1486 -206207.6493 17750.8882 0.0000 0.0000 34403.5898 -149163.1947 300.4551 -183566.7845 -149061.2000 299.6325 -12.6878 19.6647 557132.7155 -13.9145 -13.9089 PRESSURE: 657600 -295.859 -96.2773 162.029 -96.2778 199.583 69.7118 162.028 69.712 -14.254 GPRESSURE: 657600 -253.328 -104.528 203.059 -76.8219 229.106 136.778 133.254 -1.94537 16.3203 PRESSAVG: 657600 -24.0415 11.5903 21.3061 11.5903 41.0466 -22.5492 21.3061 -22.5491 2.6105 GPRESSAVG: 657600 -22.5573 13.1823 23.6298 10.6668 40.0925 -22.9924 17.4644 -20.7663 1.63541 TIMING: 657600 CPU: 1974.29, 0.00301879/step Wall: 1974.29, 0.00301879/step, 3.64133 hours remaining, 207.460938 MB of memory in use. ENERGY: 657600 721.7755 2063.7890 1952.5891 107.2821 -206028.8011 17743.4596 0.0000 0.0000 34381.1539 -149058.7521 300.2592 -183439.9059 -148956.9643 299.6077 -36.8435 -2.6339 558249.8058 6.5385 6.3902 PRESSURE: 657800 -28.8025 -50.6649 -110.602 -50.6628 87.5588 -62.0516 -110.601 -62.0506 177.874 GPRESSURE: 657800 15.8122 -28.5072 -71.8728 -28.3236 138.888 16.0893 -0.389299 -147.548 178.521 PRESSAVG: 657800 -27.9367 28.6106 -0.978926 28.6105 42.2286 -2.82441 -0.978947 -2.82446 -22.2423 GPRESSAVG: 657800 -28.6014 27.5903 -2.91012 29.8844 43.9543 -1.0842 2.10949 -5.69935 -22.986 TIMING: 657800 CPU: 1974.9, 0.00303048/step Wall: 1974.9, 0.00303048/step, 3.65526 hours remaining, 207.460938 MB of memory in use. ENERGY: 657800 735.5377 2127.3939 1954.5052 109.5574 -206008.6413 17793.9778 0.0000 0.0000 34124.7451 -149162.9241 298.0199 -183287.6692 -149058.8040 299.8105 78.8768 111.0736 558595.0194 -2.6502 -2.5444 PRESSURE: 658000 -31.4003 -57.5812 75.5344 -57.58 233.805 109.94 75.5345 109.939 152.991 GPRESSURE: 658000 8.40579 -87.4296 143.416 16.9162 221.379 132.448 -60.5878 111.151 213.855 PRESSAVG: 658000 -22.4173 3.84086 29.788 3.84078 8.58248 -9.87105 29.7881 -9.87099 4.56496 GPRESSAVG: 658000 -23.2672 4.10356 29.5414 2.93266 8.14112 -10.762 30.022 -7.0633 5.95187 TIMING: 658000 CPU: 1975.5, 0.00302038/step Wall: 1975.5, 0.00302038/step, 3.64291 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: 658000 751.0923 2123.8373 1970.6760 114.4503 -206524.1776 18167.5558 0.0000 0.0000 34300.0402 -149096.5258 299.5508 -183396.5660 -148999.4426 299.2019 118.4651 147.8799 557965.6812 -3.0900 -3.0581 PRESSURE: 658200 111.823 -159.76 -10.1533 -159.76 -51.9425 -116.242 -10.1528 -116.242 -214.617 GPRESSURE: 658200 197.075 -208.8 75.096 -110.557 -55.3538 -141.982 19.8748 -87.4539 -198.11 PRESSAVG: 658200 4.08809 -14.162 18.1656 -14.1621 46.6048 58.3518 18.1657 58.3518 -8.19858 GPRESSAVG: 658200 4.80107 -16.0952 17.1818 -12.734 46.3246 56.4672 19.9762 59.5382 -8.2567 TIMING: 658200 CPU: 1976.1, 0.00300934/step Wall: 1976.1, 0.00300934/step, 3.62943 hours remaining, 207.460938 MB of memory in use. ENERGY: 658200 740.4018 2107.2016 1957.4435 113.6244 -205854.7285 17797.1741 0.0000 0.0000 34100.1045 -149038.7785 297.8047 -183138.8830 -148945.5092 299.5885 -51.5789 -18.7963 558754.5348 14.1648 14.2897 PRESSURE: 658400 104.973 65.263 -58.8721 65.2629 20.7121 -117.657 -58.8708 -117.656 -267.596 GPRESSURE: 658400 70.0175 -43.8795 71.0597 84.2857 131.968 -95.0011 -111.399 -50.8189 -245.098 PRESSAVG: 658400 58.8527 -13.5977 -2.5997 -13.5977 67.8791 -30.1476 -2.59964 -30.1476 -112.493 GPRESSAVG: 658400 57.8333 -12.0943 -1.53869 -13.813 67.9988 -30.939 -3.92185 -31.6973 -112.564 TIMING: 658400 CPU: 1976.71, 0.0030142/step Wall: 1976.71, 0.0030142/step, 3.63512 hours remaining, 207.460938 MB of memory in use. ENERGY: 658400 735.4394 2127.8769 1939.7519 105.2624 -205752.1760 17672.2819 0.0000 0.0000 34159.7197 -149011.8437 298.3253 -183171.5634 -148917.0632 299.9516 -47.3038 -14.3710 558702.4318 4.7464 4.4228 PRESSURE: 658600 -112.644 -136.731 -27.9529 -136.732 -115.211 -5.29011 -27.9538 -5.29082 -263.853 GPRESSURE: 658600 -109.629 -156.702 28.8296 -125.15 -75.723 51.8813 -73.7567 -46.5976 -211.873 PRESSAVG: 658600 16.4915 -54.4835 29.3226 -54.4835 5.61812 37.7315 29.3226 37.7313 -22.4265 GPRESSAVG: 658600 16.1758 -54.7549 29.7147 -53.8951 6.99496 40.1054 28.8355 36.8097 -22.7653 TIMING: 658600 CPU: 1977.3, 0.00296567/step Wall: 1977.3, 0.00296567/step, 3.57644 hours remaining, 207.460938 MB of memory in use. ENERGY: 658600 776.0517 2119.7794 1932.8968 114.9830 -205786.3890 17621.8631 0.0000 0.0000 34262.8070 -148958.0081 299.2256 -183220.8150 -148858.9105 300.5809 -163.9027 -132.4084 558825.7292 -0.1056 0.1352 PRESSURE: 658800 -87.3453 -126.476 140.271 -126.476 -33.2662 95.6149 140.271 95.6148 70.6284 GPRESSURE: 658800 -105.393 -120.578 185.707 -140.985 -8.86247 160.646 177.042 7.35907 153.465 PRESSAVG: 658800 37.8242 -9.81133 -22.5914 -9.81132 -85.7362 -35.1727 -22.5914 -35.1728 -14.0757 GPRESSAVG: 658800 39.1481 -7.36391 -23.0765 -13.178 -86.0142 -34.3178 -23.2602 -36.1468 -14.61 TIMING: 658800 CPU: 1977.89, 0.00296784/step Wall: 1977.89, 0.00296784/step, 3.57888 hours remaining, 207.460938 MB of memory in use. ENERGY: 658800 758.3963 2100.6531 1926.9552 113.9397 -205744.8347 17590.1071 0.0000 0.0000 34349.8310 -148904.9522 299.9856 -183254.7833 -148813.9182 299.6583 -16.6610 13.0697 557315.9386 -20.6626 -20.4921 PRESSURE: 659000 83.3442 -8.91202 -69.3256 -8.91172 36.1909 -13.6866 -69.3258 -13.6873 120.915 GPRESSURE: 659000 167.676 -72.711 -67.3101 106.841 23.4749 76.8519 16.9344 -23.5477 142.668 PRESSAVG: 659000 4.768 -9.11177 -30.598 -9.11175 -88.4218 -10.4697 -30.5981 -10.4696 99.9653 GPRESSAVG: 659000 2.86859 -13.0884 -27.0766 -5.77842 -87.412 -10.5309 -30.3306 -10.9354 100.809 TIMING: 659000 CPU: 1978.49, 0.00298634/step Wall: 1978.49, 0.00298634/step, 3.60103 hours remaining, 207.460938 MB of memory in use. ENERGY: 659000 758.4048 2117.1571 1938.7990 111.5393 -205975.0545 17787.0698 0.0000 0.0000 34265.0960 -148996.9884 299.2456 -183262.0844 -148903.1682 300.1879 80.1501 111.2730 556553.8023 5.4372 5.4219 PRESSURE: 659200 -25.7352 134.579 47.9805 134.58 98.2073 -43.4258 47.9817 -43.4259 228.219 GPRESSURE: 659200 72.455 105.482 67.638 156.392 83.2129 -40.9193 -14.6529 -65.634 243.916 PRESSAVG: 659200 28.1005 19.7539 41.6009 19.7539 -79.1066 -35.251 41.6008 -35.2508 35.042 GPRESSAVG: 659200 30.3176 19.9251 39.5952 18.9298 -80.8355 -33.9771 41.3257 -33.866 35.0634 TIMING: 659200 CPU: 1979.09, 0.00298632/step Wall: 1979.09, 0.00298632/step, 3.60084 hours remaining, 207.460938 MB of memory in use. ENERGY: 659200 747.5935 2069.3987 1925.7382 116.3920 -206070.0202 17941.4815 0.0000 0.0000 34397.5780 -148871.8384 300.4026 -183269.4164 -148782.9793 300.1441 100.2305 133.1946 558248.4769 -5.3214 -5.1515 PRESSURE: 659400 75.3371 90.6391 121.114 90.6398 -421.525 43.7104 121.114 43.7091 94.1543 GPRESSURE: 659400 180.44 40.6368 111.221 126.574 -402.146 49.2164 78.0831 -22.4716 67.1538 PRESSAVG: 659400 17.8442 3.09127 18.4434 3.09118 16.3022 -8.64747 18.4434 -8.6475 2.42952 GPRESSAVG: 659400 16.6843 4.41781 19.8237 2.13002 17.2361 -11.9185 17.9407 -6.06336 2.64375 TIMING: 659400 CPU: 1979.69, 0.00300481/step Wall: 1979.69, 0.00300481/step, 3.62297 hours remaining, 207.460938 MB of memory in use. ENERGY: 659400 748.6972 2062.8407 1971.4506 107.1224 -205866.9883 17637.0064 0.0000 0.0000 34241.7127 -149098.1583 299.0414 -183339.8710 -148999.2072 300.4131 -84.0112 -51.5174 557082.0375 12.1920 12.1881 PRESSURE: 659600 158.213 70.6767 -121.185 70.6765 29.6584 -26.5617 -121.186 -26.5605 -107.106 GPRESSURE: 659600 148.061 23.6062 -106.919 50.1523 60.8927 -10.3165 -133.332 -82.7745 -52.1063 PRESSAVG: 659600 0.293658 32.1727 -31.4028 32.1727 -7.51728 -4.81175 -31.4028 -4.81175 -15.0487 GPRESSAVG: 659600 -0.116291 32.6442 -32.4933 32.9469 -8.33189 -3.52591 -31.9774 -7.6616 -13.4946 TIMING: 659600 CPU: 1980.29, 0.00300105/step Wall: 1980.29, 0.00300105/step, 3.61827 hours remaining, 207.460938 MB of memory in use. ENERGY: 659600 714.2983 2063.6013 1904.6277 112.1211 -206317.5004 17869.6651 0.0000 0.0000 34347.4377 -149305.7493 299.9647 -183653.1869 -149215.5661 299.3370 26.9217 52.2826 556786.5634 -7.4241 -7.3143 PRESSURE: 659800 71.5104 -21.4676 -31.8624 -21.4678 -53.9457 -0.747055 -31.8629 -0.746762 111.352 GPRESSURE: 659800 102.912 -46.6346 42.9126 46.6416 -2.33422 30.0578 -79.6983 14.6143 116.908 PRESSAVG: 659800 -64.2774 -30.9629 -42.8238 -30.9629 41.6033 -49.6486 -42.8238 -49.6486 -19.6789 GPRESSAVG: 659800 -63.9129 -29.4464 -43.8857 -33.336 42.8161 -50.6866 -40.9773 -47.1927 -21.9681 TIMING: 659800 CPU: 1980.88, 0.00297356/step Wall: 1980.88, 0.00297356/step, 3.58496 hours remaining, 207.460938 MB of memory in use. ENERGY: 659800 735.4567 2118.9915 1950.6295 103.2003 -206305.7968 17810.8314 0.0000 0.0000 34333.6835 -149253.0038 299.8446 -183586.6874 -149160.8861 299.1698 42.9721 72.4954 556201.2088 -14.1177 -14.3550 PRESSURE: 660000 245.001 -10.8319 -92.0045 -10.8315 -115.366 -218.152 -92.0051 -218.152 112.882 GPRESSURE: 660000 299.945 -15.0174 -164.43 -54.2702 -79.5687 -270.502 -66.2135 -191.297 123.256 PRESSAVG: 660000 -18.037 -22.8081 -12.5599 -22.808 -12.5863 -39.5848 -12.5599 -39.5849 16.1146 GPRESSAVG: 660000 -18.0588 -23.6617 -10.6949 -22.1959 -13.6435 -38.5612 -12.6586 -41.9428 16.5788 TIMING: 660000 CPU: 1981.48, 0.00296959/step Wall: 1981.48, 0.00296959/step, 3.58001 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: 660000 754.9786 2038.1107 1948.5478 125.3377 -206596.0279 17965.5018 0.0000 0.0000 34331.6880 -149431.8633 299.8272 -183763.5513 -149334.3864 299.3235 80.8388 114.5439 556399.2122 -4.8362 -5.0412 PRESSURE: 660200 -277.649 -26.5416 -23.5375 -26.5409 -41.3136 44.2499 -23.538 44.2501 -129.139 GPRESSURE: 660200 -199.598 -1.06359 -43.6619 0.526927 -29.629 14.6862 -46.7522 88.1076 -120.113 PRESSAVG: 660200 -67.7767 -0.170545 41.8 -0.170487 1.45125 -37.531 41.7999 -37.531 30.9235 GPRESSAVG: 660200 -67.1729 0.646973 42.3392 0.436993 1.83142 -39.2252 41.6332 -35.1515 29.9537 TIMING: 660200 CPU: 1982.07, 0.00297392/step Wall: 1982.07, 0.00297392/step, 3.58506 hours remaining, 207.460938 MB of memory in use. ENERGY: 660200 754.5149 2027.9360 1917.9711 118.7567 -206005.1634 17613.7328 0.0000 0.0000 33942.3303 -149629.9216 296.4268 -183572.2519 -149543.6050 298.0433 -149.3670 -116.4467 557524.8698 -11.8006 -11.7959 LDB: ============= START OF LOAD BALANCING ============== 1985.59 LDB: ============== END OF LOAD BALANCING =============== 1985.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1985.59 LDB: ============= START OF LOAD BALANCING ============== 1985.89 LDB: Largest compute 4794 load 0.029616 is 25.1% of average load 0.117891 LDB: Average compute 0.001728 is 1.5% of average load 0.117891 LDB: TIME 1985.89 LOAD: AVG 0.117891 MAX 0.205937 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.414 MB LDB: TIME 1985.89 LOAD: AVG 0.117891 MAX 0.205937 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.422 MB LDB: TIME 1985.89 LOAD: AVG 0.117891 MAX 0.205937 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.422 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1985.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1985.9 PRESSURE: 660400 -69.4028 177.444 -82.5209 177.443 5.25651 85.0263 -82.5207 85.0254 -325.515 GPRESSURE: 660400 -85.7605 121.66 -180.933 205.204 19.7541 47.9114 -43.5249 68.3601 -214.421 PRESSAVG: 660400 -27.6163 -24.7606 19.3858 -24.7606 40.5393 -33.603 19.3858 -33.603 0.498366 GPRESSAVG: 660400 -28.9265 -25.9623 17.6716 -22.7887 40.7251 -31.9749 17.7524 -35.3154 1.81025 TIMING: 660400 CPU: 1982.68, 0.00305335/step Wall: 1982.68, 0.00305335/step, 3.68064 hours remaining, 207.628906 MB of memory in use. ENERGY: 660400 745.4467 2003.1379 1921.0409 108.1693 -206201.0298 17654.7308 0.0000 0.0000 34060.5239 -149707.9804 297.4590 -183768.5043 -149609.4168 298.5840 -129.8872 -93.4757 556944.2347 4.4738 4.5363 PRESSURE: 660600 -53.2844 69.688 62.621 69.6891 12.7354 -68.572 62.6204 -68.5707 204.588 GPRESSURE: 660600 3.65256 102.833 35.0512 -99.1083 24.4843 -83.4392 69.6407 -68.4286 227.875 PRESSAVG: 660600 -65.9925 58.7148 -33.7402 58.7147 -20.7168 31.6625 -33.7403 31.6624 56.6243 GPRESSAVG: 660600 -66.1608 57.4643 -33.7272 56.7574 -20.1932 29.8699 -32.2836 32.1475 56.322 TIMING: 660600 CPU: 1983.28, 0.00298405/step Wall: 1983.28, 0.00298405/step, 3.59694 hours remaining, 207.832031 MB of memory in use. ENERGY: 660600 730.3083 2031.3477 1948.1489 129.8897 -206668.3382 18064.0180 0.0000 0.0000 34138.3100 -149626.3156 298.1384 -183764.6256 -149533.9144 297.6523 54.6798 85.3372 557926.4608 -10.0283 -10.0107 PRESSURE: 660800 36.983 59.3536 -6.46345 59.3526 93.3446 8.10962 -6.46235 8.10773 362.215 GPRESSURE: 660800 102.416 76.7511 -74.3807 -85.1849 150.33 3.88417 -29.6718 -22.2597 350.644 PRESSAVG: 660800 -18.0124 18.4018 -14.9882 18.4017 -40.1412 7.80791 -14.988 7.80788 89.9931 GPRESSAVG: 660800 -16.6637 21.4964 -14.8314 16.7849 -41.7033 9.73204 -14.3604 7.3189 90.8709 TIMING: 660800 CPU: 1983.88, 0.00299065/step Wall: 1983.88, 0.00299065/step, 3.60473 hours remaining, 207.832031 MB of memory in use. ENERGY: 660800 712.8476 2067.8281 1940.3454 106.3156 -206567.7511 18014.6257 0.0000 0.0000 34231.0987 -149494.6899 298.9487 -183725.7886 -149397.2414 298.0190 164.1810 201.1298 556932.5124 10.6132 10.8347 PRESSURE: 661000 -252.27 148.936 -41.0031 148.936 -202.594 -126.328 -41.003 -126.328 41.8591 GPRESSURE: 661000 -216.903 149.014 -67.7659 150.295 -144.75 -143.48 -60.7259 -88.2258 51.929 PRESSAVG: 661000 -42.251 -12.1644 -18.8199 -12.1644 10.8929 3.07195 -18.82 3.07195 30.7369 GPRESSAVG: 661000 -43.5643 -14.9117 -19.4137 -7.66112 12.8905 2.08536 -17.7753 3.8266 30.114 TIMING: 661000 CPU: 1984.48, 0.0030351/step Wall: 1984.48, 0.0030351/step, 3.65814 hours remaining, 207.832031 MB of memory in use. ENERGY: 661000 707.1030 2002.1922 1945.5321 117.0939 -206178.8867 17586.8358 0.0000 0.0000 34323.3148 -149496.8149 299.7540 -183820.1297 -149403.5350 298.2532 -137.6684 -103.2416 557676.9614 -0.2071 -0.1866 PRESSURE: 661200 -180.81 -118.448 8.15904 -118.447 -238.232 -118.452 8.15993 -118.452 36.67 GPRESSURE: 661200 -102.16 7.94998 -58.9903 -248.808 -216.694 -72.2789 50.4706 -138.047 43.0156 PRESSAVG: 661200 34.1395 -24.2608 3.91444 -24.2608 -3.32307 15.0745 3.91438 15.0745 -25.5583 GPRESSAVG: 661200 34.5888 -25.1418 4.26595 -27.0278 -3.98927 15.5467 2.18576 13.7082 -25.5814 TIMING: 661200 CPU: 1985.1, 0.00305937/step Wall: 1985.1, 0.00305937/step, 3.68722 hours remaining, 207.832031 MB of memory in use. ENERGY: 661200 721.5515 2071.3297 1931.2735 128.9369 -206232.4427 17785.8364 0.0000 0.0000 34209.0453 -149384.4694 298.7561 -183593.5147 -149296.4811 298.4153 -127.4573 -91.9460 559409.9870 1.7527 1.6727 PRESSURE: 661400 -257.958 -89.1041 -160.45 -89.1047 44.4012 -146.561 -160.449 -146.56 22.1566 GPRESSURE: 661400 -246.703 -92.5631 -114.807 -108.638 37.8983 -116.509 -218.801 -33.1758 113.794 PRESSAVG: 661400 -30.8071 -38.9111 -10.4071 -38.9111 -23.4984 -3.77261 -10.4071 -3.77258 46.2224 GPRESSAVG: 661400 -31.4164 -38.5711 -9.3884 -36.6638 -23.2795 -2.96814 -10.4605 -2.20937 46.4776 TIMING: 661400 CPU: 1985.7, 0.00302021/step Wall: 1985.7, 0.00302021/step, 3.63986 hours remaining, 207.832031 MB of memory in use. ENERGY: 661400 738.3797 2078.9153 1912.2264 110.7556 -206088.7814 17655.8559 0.0000 0.0000 34256.3561 -149336.2925 299.1693 -183592.6485 -149246.4564 298.4783 -63.7999 -31.6702 558129.7164 -2.6944 -2.7394 PRESSURE: 661600 86.328 37.1563 -186.162 37.1558 314.553 -189.468 -186.16 -189.468 292.836 GPRESSURE: 661600 84.331 43.2782 -196.77 9.98136 359.085 -218.431 -199.832 -194.408 347.317 PRESSAVG: 661600 -33.469 -43.0459 -26.8707 -43.046 34.2594 -35.6154 -26.8708 -35.6154 -29.6621 GPRESSAVG: 661600 -33.3681 -41.1561 -27.9915 -44.5834 34.8917 -37.1234 -25.3708 -35.2974 -30.518 TIMING: 661600 CPU: 1986.3, 0.00299243/step Wall: 1986.3, 0.00299243/step, 3.60622 hours remaining, 207.832031 MB of memory in use. ENERGY: 661600 758.3010 2092.1197 1942.9377 118.6353 -206570.1342 18005.1561 0.0000 0.0000 34300.2960 -149352.6883 299.5530 -183652.9843 -149259.8610 299.6288 231.2389 263.5778 556634.5323 -9.6239 -9.6648 PRESSURE: 661800 -133.108 -212.832 -92.0687 -212.833 155.204 -156.151 -92.0687 -156.152 -121.753 GPRESSURE: 661800 -144.186 -207.419 -142.14 -190.986 230.215 -103.222 -111.125 -116.732 -92.1922 PRESSAVG: 661800 7.10109 39.6129 -0.512858 39.6128 -3.07188 -40.2553 -0.51289 -40.2552 20.5342 GPRESSAVG: 661800 8.43795 39.554 2.00375 39.3032 -4.1615 -38.2026 -1.03987 -42.8217 20.438 TIMING: 661800 CPU: 1986.89, 0.00295871/step Wall: 1986.89, 0.00295871/step, 3.56541 hours remaining, 207.832031 MB of memory in use. ENERGY: 661800 692.3180 2095.5092 1962.0011 100.9886 -206203.2464 17637.7170 0.0000 0.0000 34286.1055 -149428.6070 299.4291 -183714.7125 -149333.7408 298.7453 -33.2191 -2.0545 557677.1055 8.1878 8.2381 PRESSURE: 662000 144.351 -99.51 -53.9624 -99.5102 -52.8264 -12.4772 -53.9617 -12.4778 366.594 GPRESSURE: 662000 252.587 -126.457 6.32527 42.489 -59.1898 -4.57549 -59.9989 10.1169 358.915 PRESSAVG: 662000 9.02324 8.31953 -25.1588 8.31956 10.0916 19.2778 -25.1587 19.2778 20.6038 GPRESSAVG: 662000 7.32113 6.46376 -23.8468 10.19 11.1327 18.497 -27.3923 21.2673 21.7321 TIMING: 662000 CPU: 1987.48, 0.00296931/step Wall: 1987.48, 0.00296931/step, 3.57802 hours remaining, 207.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 662000 714.2606 2113.7966 1952.7033 124.6266 -206573.8049 18117.2057 0.0000 0.0000 34289.7521 -149261.4601 299.4609 -183551.2121 -149165.8291 298.5666 152.7065 184.1038 556128.4459 13.2395 13.3953 PRESSURE: 662200 -66.515 40.447 31.6652 40.445 -201.762 167.55 31.6652 167.549 -73.5705 GPRESSURE: 662200 -49.5962 23.9406 53.8608 45.434 -148.747 115.073 31.1159 189.344 -24.5518 PRESSAVG: 662200 -17.4641 35.262 -46.682 35.262 -19.7822 -33.199 -46.6821 -33.199 3.87704 GPRESSAVG: 662200 -16.7809 37.7434 -49.5784 34.1868 -19.8046 -32.1863 -45.9345 -34.1764 3.5296 TIMING: 662200 CPU: 1988.08, 0.00298752/step Wall: 1988.08, 0.00298752/step, 3.5998 hours remaining, 207.832031 MB of memory in use. ENERGY: 662200 785.8096 2027.0681 1976.4628 121.0579 -206203.4946 17924.1317 0.0000 0.0000 34161.3580 -149207.6065 298.3396 -183368.9645 -149114.2470 298.9759 -113.9491 -74.2984 558790.4472 -11.1231 -11.0186 PRESSURE: 662400 6.91139 -133.874 -93.4221 -133.874 -46.727 94.393 -93.4225 94.3932 225.035 GPRESSURE: 662400 25.7427 -187.676 -6.29217 -112.783 -1.08177 57.7005 -53.4988 108.768 242.181 PRESSAVG: 662400 27.9832 -41.9177 -6.13767 -41.9177 16.9916 43.6674 -6.13764 43.6675 -60.382 GPRESSAVG: 662400 28.255 -40.9546 -6.11805 -42.451 16.9115 41.5809 -5.2553 44.1851 -60.3234 TIMING: 662400 CPU: 1988.68, 0.00297982/step Wall: 1988.68, 0.00297982/step, 3.59035 hours remaining, 207.832031 MB of memory in use. ENERGY: 662400 733.3558 2070.1978 1966.6248 119.4008 -206252.5250 18009.0675 0.0000 0.0000 34251.1681 -149102.7101 299.1240 -183353.8782 -149010.2126 298.6370 61.7397 88.9474 557735.6644 -5.1357 -5.0523 PRESSURE: 662600 286.289 20.3434 6.78913 20.3423 -181.363 152.556 6.78987 152.555 -24.8322 GPRESSURE: 662600 281.829 -19.7014 0.397074 22.65 -127.287 158.327 33.327 90.3384 28.3189 PRESSAVG: 662600 0.819869 -20.3065 -21.1078 -20.3065 1.03649 43.1844 -21.1078 43.1844 0.119739 GPRESSAVG: 662600 -0.617022 -22.2661 -21.7115 -20.1972 0.975647 45.8829 -20.7755 42.4446 1.05864 TIMING: 662600 CPU: 1989.27, 0.00298324/step Wall: 1989.27, 0.00298324/step, 3.5943 hours remaining, 207.832031 MB of memory in use. ENERGY: 662600 750.3531 2060.6450 1954.3038 126.5603 -206509.9557 18007.6105 0.0000 0.0000 34553.4898 -149056.9931 301.7642 -183610.4829 -148954.1570 300.0321 26.6980 60.9535 555905.1684 0.6587 0.4724 PRESSURE: 662800 19.908 -3.84813 -123.865 -3.84773 151.846 39.1407 -123.865 39.1407 -96.1642 GPRESSURE: 662800 41.9803 36.9734 -103.1 -39.6726 134.699 51.6245 -151.338 3.8258 -5.23615 PRESSAVG: 662800 92.5305 -43.1899 -58.316 -43.1898 -67.7714 27.3848 -58.316 27.3847 -28.79 GPRESSAVG: 662800 94.1046 -42.7657 -57.2541 -43.4465 -68.6495 26.2049 -58.0658 27.9911 -29.6934 TIMING: 662800 CPU: 1989.87, 0.00297133/step Wall: 1989.87, 0.00297133/step, 3.5798 hours remaining, 207.832031 MB of memory in use. ENERGY: 662800 731.1059 2115.4199 1962.9248 118.9553 -205722.7337 17605.2881 0.0000 0.0000 34255.7511 -148933.2885 299.1640 -183189.0396 -148843.5567 300.0719 25.1967 57.1476 556911.8832 -1.3436 -1.4128 PRESSURE: 663000 -39.9357 -63.664 72.2119 -63.6645 -250.245 -169.764 72.2118 -169.763 -319.227 GPRESSURE: 663000 11.079 -13.7929 42.5357 -48.9141 -234.173 -177.709 148.416 -171.367 -283.789 PRESSAVG: 663000 -28.6434 -10.7063 20.3955 -10.7064 9.01521 1.2098 20.3954 1.20968 5.63927 GPRESSAVG: 663000 -29.7607 -9.5785 18.6768 -12.0544 10.1259 1.73798 20.385 0.865391 5.52973 TIMING: 663000 CPU: 1990.46, 0.00296952/step Wall: 1990.46, 0.00296952/step, 3.57744 hours remaining, 207.832031 MB of memory in use. ENERGY: 663000 726.4394 2097.9276 1959.0552 126.4241 -205517.5393 17397.1141 0.0000 0.0000 34396.1274 -148814.4515 300.3899 -183210.5789 -148716.0079 300.0506 -203.1358 -168.9611 556437.8887 -4.6630 -4.7017 PRESSURE: 663200 130.638 -9.59364 -44.7723 -9.59474 92.2551 47.442 -44.7725 47.4415 -147.026 GPRESSURE: 663200 111.05 -37.6534 31.6343 -28.4064 155.799 -19.5702 -126.292 45.3114 -96.4153 PRESSAVG: 663200 42.163 -7.92617 -38.3338 -7.92615 -21.0827 -38.5055 -38.3337 -38.5054 24.7018 GPRESSAVG: 663200 42.9111 -8.32872 -36.6407 -7.04741 -21.7148 -39.8538 -39.0404 -36.352 24.8077 TIMING: 663200 CPU: 1991.06, 0.00297667/step Wall: 1991.06, 0.00297667/step, 3.5859 hours remaining, 207.832031 MB of memory in use. ENERGY: 663200 746.6081 2057.4085 1954.3539 109.7396 -206300.8264 17845.6371 0.0000 0.0000 34468.8499 -149118.2293 301.0250 -183587.0792 -149018.1246 299.4861 25.2891 56.8112 556771.8216 15.2607 15.3347 PRESSURE: 663400 84.9886 -42.9791 -8.85466 -42.9799 -62.7179 -58.6949 -8.85328 -58.6946 41.3077 GPRESSURE: 663400 105.217 -108.868 -80.5644 37.3684 1.69979 -158.149 6.46271 -40.4924 55.3202 PRESSAVG: 663400 1.83316 -8.19583 42.7444 -8.19582 -12.8415 -17.2264 42.7445 -17.2264 27.2273 GPRESSAVG: 663400 0.812434 -8.07933 41.2694 -8.72443 -12.2558 -16.015 42.7496 -20.1914 28.1419 TIMING: 663400 CPU: 1991.66, 0.00299565/step Wall: 1991.66, 0.00299565/step, 3.6086 hours remaining, 207.832031 MB of memory in use. ENERGY: 663400 756.3055 2054.8661 1936.2426 110.6823 -206014.1168 17884.4200 0.0000 0.0000 34221.4480 -149050.1523 298.8644 -183271.6004 -148957.2539 299.3679 21.1928 54.0791 558022.3787 5.4063 5.5662 PRESSURE: 663600 131.517 12.0276 49.7556 12.0287 102.063 85.2486 49.7559 85.2477 128.702 GPRESSURE: 663600 133.848 29.8959 89.3565 5.959 109.574 180.068 22.5603 5.08453 209.212 PRESSAVG: 663600 14.772 21.4244 69.3847 21.4243 -15.8792 -8.95557 69.3847 -8.95564 -14.5476 GPRESSAVG: 663600 16.6142 21.5397 69.4444 21.6635 -16.7843 -8.58528 69.0186 -7.21776 -15.9445 TIMING: 663600 CPU: 1992.25, 0.00299045/step Wall: 1992.25, 0.00299045/step, 3.60217 hours remaining, 207.832031 MB of memory in use. ENERGY: 663600 746.4649 2041.0096 1947.6316 112.4171 -206279.9372 18008.8250 0.0000 0.0000 34456.2043 -148967.3847 300.9146 -183423.5889 -148865.8574 299.9249 120.7604 150.8783 557252.5078 -5.2182 -5.3715 PRESSURE: 663800 -24.5686 -209.382 3.19229 -209.383 378.304 -106.89 3.19194 -106.89 3.87793 GPRESSURE: 663800 0.732237 -142.363 0.947604 -260.633 417.766 -45.2169 -104.077 -94.7045 43.3358 PRESSAVG: 663800 -42.8804 -19.7081 23.6646 -19.708 77.6388 -17.9096 23.6646 -17.9095 -27.3647 GPRESSAVG: 663800 -44.0106 -19.8126 23.5506 -19.6694 77.1972 -18.1049 24.4758 -17.0863 -25.806 TIMING: 663800 CPU: 1992.85, 0.00296565/step Wall: 1992.85, 0.00296565/step, 3.57213 hours remaining, 207.832031 MB of memory in use. ENERGY: 663800 698.3057 2081.8741 1947.4010 124.9700 -206119.9066 17896.3383 0.0000 0.0000 34494.6345 -148876.3831 301.2502 -183371.0176 -148776.4714 300.2021 119.2043 153.9447 557508.4313 2.4646 2.4602 PRESSURE: 664000 107.461 -170.902 -184.263 -170.902 40.8509 34.3098 -184.263 34.3097 -329.382 GPRESSURE: 664000 154.306 -171.963 -171.926 -216.598 50.6307 -28.6205 -116.955 34.1279 -292.287 PRESSAVG: 664000 47.5031 -21.7555 -62.8087 -21.7554 22.0905 10.9027 -62.8088 10.9027 -60.0367 GPRESSAVG: 664000 48.6164 -22.8601 -62.3767 -19.3753 21.629 9.93414 -64.3215 7.23302 -60.853 TIMING: 664000 CPU: 1993.45, 0.00300707/step Wall: 1993.45, 0.00300707/step, 3.62184 hours remaining, 207.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 664000 710.9180 2063.9415 1943.5328 104.2205 -205876.4354 17748.8053 0.0000 0.0000 34338.1397 -148966.8776 299.8835 -183305.0173 -148865.7897 300.4422 -60.3566 -29.1165 558992.5076 3.1856 3.1308 PRESSURE: 664200 168.757 164.092 -17.9737 164.093 -149.128 -6.15086 -17.9733 -6.15299 -154.081 GPRESSURE: 664200 146.003 238.703 7.52162 157.537 -128.31 11.4696 -27.7328 -4.3912 -54.9903 PRESSAVG: 664200 -25.8512 -51.6076 7.05376 -51.6075 19.0367 -10.1606 7.05375 -10.1605 1.37875 GPRESSAVG: 664200 -27.1195 -48.7905 9.11165 -54.5796 19.7471 -11.859 8.61462 -8.96961 2.00127 TIMING: 664200 CPU: 1994.06, 0.00303213/step Wall: 1994.06, 0.00303213/step, 3.65186 hours remaining, 207.832031 MB of memory in use. ENERGY: 664200 721.4795 2033.8696 1954.8690 115.3933 -205941.3551 17658.8015 0.0000 0.0000 34378.4521 -149078.4901 300.2356 -183456.9422 -148979.6069 299.3734 -44.8171 -12.4326 559027.1825 -1.8119 -1.7904 LDB: ============= START OF LOAD BALANCING ============== 1997.57 LDB: ============== END OF LOAD BALANCING =============== 1997.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1997.57 LDB: ============= START OF LOAD BALANCING ============== 1997.88 LDB: Largest compute 4794 load 0.028890 is 24.5% of average load 0.117932 LDB: Average compute 0.001727 is 1.5% of average load 0.117932 LDB: TIME 1997.88 LOAD: AVG 0.117932 MAX 0.205372 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.766 MB LDB: TIME 1997.88 LOAD: AVG 0.117932 MAX 0.205372 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.766 MB LDB: TIME 1997.88 LOAD: AVG 0.117932 MAX 0.205372 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.766 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1997.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1997.88 PRESSURE: 664400 -85.4462 -25.3359 -138.139 -25.337 -156.572 220.79 -138.14 220.79 -93.1801 GPRESSURE: 664400 -48.097 -26.9105 -158.81 -32.8282 -67.211 157.751 -51.212 176.767 -123.112 PRESSAVG: 664400 -20.7071 36.0512 -7.33661 36.0513 9.88335 26.5457 -7.33658 26.5457 -46.427 GPRESSAVG: 664400 -18.7374 35.967 -8.11962 36.7479 9.53825 27.2452 -8.44196 27.2464 -48.0362 TIMING: 664400 CPU: 1994.67, 0.00306246/step Wall: 1994.67, 0.00306246/step, 3.68823 hours remaining, 208.472656 MB of memory in use. ENERGY: 664400 752.4994 2111.9155 1926.0724 102.3070 -205559.1124 17527.7427 0.0000 0.0000 34371.9469 -148766.6286 300.1788 -183138.5755 -148674.0275 299.5299 -111.7329 -79.4732 557917.7263 -19.0836 -19.0785 PRESSURE: 664600 72.1586 18.5728 160.476 18.5733 114.003 -136.221 160.476 -136.221 -154.013 GPRESSURE: 664600 50.2873 -119.464 182.841 56.5704 154.413 -31.9965 169.367 -148.19 -71.2846 PRESSAVG: 664600 26.2685 18.0496 -22.0866 18.0496 18.5648 -23.0911 -22.0865 -23.091 -77.0818 GPRESSAVG: 664600 24.6483 14.9954 -22.815 18.0339 17.8464 -22.0052 -21.7941 -20.8074 -75.1346 TIMING: 664600 CPU: 1995.26, 0.00296296/step Wall: 1995.26, 0.00296296/step, 3.56822 hours remaining, 208.796875 MB of memory in use. ENERGY: 664600 756.2282 2075.0424 1960.7058 115.1618 -206000.3379 17984.5126 0.0000 0.0000 34350.6607 -148758.0264 299.9929 -183108.6870 -148659.8635 300.1675 10.7164 44.4718 559050.5849 -10.7495 -10.8800 PRESSURE: 664800 -93.8948 -14.2161 6.54214 -14.2162 -12.3163 -61.2886 6.54233 -61.2862 62.624 GPRESSURE: 664800 -103.337 -10.3325 36.6921 -61.1698 -21.806 -101.665 35.1753 -45.3302 175.972 PRESSAVG: 664800 9.48506 -8.94774 -35.4742 -8.94775 50.356 -13.1456 -35.4741 -13.1456 -34.159 GPRESSAVG: 664800 9.63478 -8.61896 -34.5621 -9.92869 49.421 -14.1482 -35.1843 -14.0496 -33.7973 TIMING: 664800 CPU: 1995.86, 0.00298516/step Wall: 1995.86, 0.00298516/step, 3.5948 hours remaining, 208.796875 MB of memory in use. ENERGY: 664800 770.2460 2107.7438 1928.5965 108.3777 -205790.3575 17675.5854 0.0000 0.0000 34549.3885 -148650.4196 301.7284 -183199.8081 -148552.5704 300.5135 -14.5290 16.9429 557663.5595 8.5607 8.4195 PRESSURE: 665000 -72.0636 -34.7759 30.365 -34.7764 -75.3745 -111.568 30.364 -111.568 160.564 GPRESSURE: 665000 -30.393 14.6788 28.7439 -99.9883 -17.6338 -45.1881 -42.2081 -183.604 151.335 PRESSAVG: 665000 -5.6462 37.5602 13.8235 37.5603 -57.5509 27.5872 13.8235 27.5872 59.3732 GPRESSAVG: 665000 -6.4884 38.4408 12.787 37.0042 -55.7526 31.2093 14.7533 25.3254 58.401 TIMING: 665000 CPU: 1996.46, 0.00300101/step Wall: 1996.46, 0.00300101/step, 3.61371 hours remaining, 208.796875 MB of memory in use. ENERGY: 665000 727.2535 2132.8626 1935.4315 101.6840 -205744.7877 17696.9523 0.0000 0.0000 34424.1686 -148726.4352 300.6348 -183150.6038 -148622.4441 301.5739 4.3754 34.4362 557318.5121 -1.2746 -1.2800 PRESSURE: 665200 -132.745 13.9734 63.5987 13.9738 -38.1231 -3.24829 63.5977 -3.24811 216.787 GPRESSURE: 665200 -84.1018 57.8955 -3.12675 -14.2368 11.8383 45.5474 140.224 -152.5 214.003 PRESSAVG: 665200 -11.3498 -17.7638 -65.149 -17.7637 -93.1137 6.25298 -65.1491 6.25298 86.932 GPRESSAVG: 665200 -10.2872 -19.2861 -65.8943 -14.7854 -93.9294 3.37154 -64.473 5.81607 86.7352 TIMING: 665200 CPU: 1997.05, 0.0029763/step Wall: 1997.05, 0.0029763/step, 3.5838 hours remaining, 208.796875 MB of memory in use. ENERGY: 665200 737.7343 2098.7071 1936.9410 114.4596 -205800.9941 17788.3362 0.0000 0.0000 34469.7973 -148655.0186 301.0333 -183124.8159 -148548.2538 300.4968 15.3064 47.2466 559687.0378 -5.8438 -5.8271 PRESSURE: 665400 -354.978 -81.2797 16.7756 -81.2788 122.823 -33.9282 16.7762 -33.9264 -28.1066 GPRESSURE: 665400 -277.202 -31.4776 2.8745 -110.782 130.128 -25.749 -18.8988 -73.6272 -17.166 PRESSAVG: 665400 16.4763 29.0276 -12.4753 29.0275 -53.6987 45.9257 -12.4752 45.9257 30.4052 GPRESSAVG: 665400 15.7194 29.4641 -11.2027 27.3033 -52.7083 46.0743 -11.852 47.4245 30.2804 TIMING: 665400 CPU: 1997.66, 0.0030189/step Wall: 1997.66, 0.0030189/step, 3.63492 hours remaining, 208.796875 MB of memory in use. ENERGY: 665400 727.7501 2107.3901 1950.7015 115.8617 -205561.9862 17635.1031 0.0000 0.0000 34397.8891 -148627.2907 300.4053 -183025.1797 -148529.6753 300.2779 -86.7542 -54.7466 560476.9739 -2.2724 -2.2362 PRESSURE: 665600 17.1148 59.6545 -35.0274 59.6536 96.8808 14.6064 -35.0273 14.6066 186.34 GPRESSURE: 665600 2.1442 -54.923 -17.124 125.262 146.246 -3.59293 4.82942 68.9422 252.888 PRESSAVG: 665600 -34.4114 7.59607 -30.9814 7.59598 -49.7109 43.6799 -30.9813 43.68 72.9071 GPRESSAVG: 665600 -34.3828 9.40851 -31.2957 7.11166 -50.2219 43.6837 -31.4434 43.5241 73.3652 TIMING: 665600 CPU: 1998.26, 0.00300295/step Wall: 1998.26, 0.00300295/step, 3.61555 hours remaining, 208.796875 MB of memory in use. ENERGY: 665600 741.6863 2114.3207 1959.4550 122.9341 -206147.9442 18110.3761 0.0000 0.0000 34461.3272 -148637.8448 300.9593 -183099.1720 -148540.0849 300.8183 100.1119 133.7593 558926.7663 -3.7384 -3.7465 PRESSURE: 665800 11.9836 -35.7588 -30.2383 -35.759 -56.1293 -129.887 -30.2377 -129.887 -11.3014 GPRESSURE: 665800 61.9259 -57.1235 -80.8467 37.3479 -95.5817 -13.7264 -99.2571 -116.426 72.4664 PRESSAVG: 665800 18.7549 0.733035 -60.3583 0.733132 -61.794 13.9982 -60.3583 13.9982 77.8886 GPRESSAVG: 665800 18.0911 0.353941 -62.5021 -0.221717 -61.1852 15.2592 -61.6218 14.5729 78.0096 TIMING: 665800 CPU: 1998.86, 0.00299387/step Wall: 1998.86, 0.00299387/step, 3.60445 hours remaining, 208.796875 MB of memory in use. ENERGY: 665800 771.2090 2087.4917 1933.9051 118.4069 -205725.2744 17628.8730 0.0000 0.0000 34654.9758 -148530.4129 302.6505 -183185.3887 -148436.0873 300.8106 -18.4823 12.9369 559632.3444 11.6165 11.6385 PRESSURE: 666000 -99.7302 221.431 67.0202 221.43 -89.3682 -67.4742 67.0212 -67.4738 42.5725 GPRESSURE: 666000 -104.33 192.683 -24.3318 158.613 -81.8598 -94.3218 87.0347 5.09783 148.845 PRESSAVG: 666000 -8.26725 -7.65286 -59.5284 -7.65287 37.6809 -10.4953 -59.5283 -10.4953 -23.01 GPRESSAVG: 666000 -7.17197 -9.18982 -59.5812 -6.54784 37.3083 -8.01426 -59.5866 -12.2887 -23.3689 TIMING: 666000 CPU: 1999.45, 0.00299134/step Wall: 1999.45, 0.00299134/step, 3.60124 hours remaining, 208.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 666000 752.3302 2142.8351 1939.6069 110.8758 -205348.0048 17481.3372 0.0000 0.0000 34389.7471 -148531.2725 300.3342 -182921.0197 -148437.5731 300.8541 -48.8420 -12.4484 557970.4891 2.1346 2.2558 PRESSURE: 666200 -111.191 17.3001 -57.6427 17.3 -173.075 40.7075 -57.6421 40.7078 13.8511 GPRESSURE: 666200 -20.8571 32.2757 -111.661 -38.2355 -212.219 -52.3361 -87.1626 152.335 54.9922 PRESSAVG: 666200 42.6164 -42.5558 33.2531 -42.5559 -75.8429 -2.17478 33.2531 -2.1749 67.7449 GPRESSAVG: 666200 42.8967 -39.9261 37.9442 -43.2507 -75.6124 -5.54525 32.2101 -0.135251 66.8059 TIMING: 666200 CPU: 2000.05, 0.00297323/step Wall: 2000.05, 0.00297323/step, 3.57928 hours remaining, 208.796875 MB of memory in use. ENERGY: 666200 723.1191 2110.9755 1941.5930 113.1816 -205435.4927 17388.1127 0.0000 0.0000 34617.8452 -148540.6657 302.3263 -183158.5109 -148437.0998 301.0635 -90.1384 -59.3613 556249.4594 11.5061 11.3634 PRESSURE: 666400 161.593 35.85 -211.519 35.8494 -53.8837 16.5376 -211.519 16.5375 37.646 GPRESSURE: 666400 200.341 24.0331 -121.37 28.5611 -41.3508 -22.6397 -190.548 53.9176 91.2949 PRESSAVG: 666400 12.5362 53.8216 -3.27755 53.8216 -58.8502 -0.316947 -3.27745 -0.316926 58.0188 GPRESSAVG: 666400 12.7291 50.5407 -5.31984 55.2405 -59.7692 2.49189 -1.63148 -3.42604 58.7711 TIMING: 666400 CPU: 2000.65, 0.00298296/step Wall: 2000.65, 0.00298296/step, 3.59082 hours remaining, 208.796875 MB of memory in use. ENERGY: 666400 691.3015 2027.7380 1933.1542 114.5397 -205666.2188 17640.6066 0.0000 0.0000 34705.2685 -148553.6103 303.0897 -183258.8788 -148451.3634 300.8139 48.4518 83.4283 557439.1575 3.9016 3.9103 PRESSURE: 666600 -285.761 76.1443 183.034 76.1445 130.673 66.1963 183.034 66.1965 61.2263 GPRESSURE: 666600 -212.205 66.4687 169.012 40.8418 162.311 110.503 238.325 62.8967 47.517 PRESSAVG: 666600 -27.1794 17.6664 11.125 17.6665 -8.41501 55.6787 11.1251 55.6787 76.9846 GPRESSAVG: 666600 -27.1847 19.9241 11.0568 16.2035 -7.52926 54.026 9.41253 58.929 76.1703 TIMING: 666600 CPU: 2001.24, 0.00297507/step Wall: 2001.24, 0.00297507/step, 3.58116 hours remaining, 208.796875 MB of memory in use. ENERGY: 666600 764.7707 2034.6564 1945.7011 111.0876 -205817.7172 17667.2487 0.0000 0.0000 34463.2232 -148831.0295 300.9759 -183294.2528 -148737.9711 300.8068 -31.2873 -0.7922 555515.7220 13.7967 13.8188 PRESSURE: 666800 8.00289 -33.5541 99.4208 -33.5531 64.9856 65.5211 99.4207 65.5196 -36.3389 GPRESSURE: 666800 1.60818 0.281537 43.4192 -72.9729 113.602 92.5577 134.082 91.3112 14.8403 PRESSAVG: 666800 -34.6057 -8.60915 35.015 -8.60916 31.1282 7.38988 35.015 7.38995 7.5951 GPRESSAVG: 666800 -35.6486 -10.4219 34.3704 -7.90542 31.9235 7.9526 35.8658 7.34588 7.49725 TIMING: 666800 CPU: 2001.85, 0.00302536/step Wall: 2001.85, 0.00302536/step, 3.64153 hours remaining, 208.796875 MB of memory in use. ENERGY: 666800 752.3668 2123.2979 1951.6075 114.3372 -205959.1991 17788.1398 0.0000 0.0000 34283.7210 -148945.7289 299.4083 -183229.4499 -148846.7925 300.7526 12.2165 43.3500 557426.9922 1.3725 1.2574 PRESSURE: 667000 -227.326 141.41 -87.7385 141.411 -118.765 -134.882 -87.7383 -134.881 -119.69 GPRESSURE: 667000 -210.694 124.236 -136.605 149.605 -90.7033 -188.731 7.62719 -161.378 -54.9091 PRESSAVG: 667000 -54.1425 -30.5715 18.715 -30.5715 13.7657 -24.5982 18.715 -24.5981 52.8751 GPRESSAVG: 667000 -53.3488 -29.3097 19.8281 -29.6591 13.4161 -26.7303 18.8794 -24.6304 52.528 TIMING: 667000 CPU: 2002.45, 0.00303778/step Wall: 2002.45, 0.00303778/step, 3.65631 hours remaining, 208.796875 MB of memory in use. ENERGY: 667000 756.0484 2077.6246 1967.3727 104.5159 -205721.0276 17594.3214 0.0000 0.0000 34537.4002 -148683.7444 301.6237 -183221.1446 -148584.4402 300.0221 -155.2602 -118.7689 558318.1668 4.1661 4.1984 PRESSURE: 667200 33.5209 -13.4235 -108.01 -13.4234 54.6655 -125.499 -108.009 -125.498 -103.157 GPRESSURE: 667200 -8.28971 -115.777 -86.7238 2.85964 116.864 -137.664 35.437 -83.2148 -45.303 PRESSAVG: 667200 -56.8628 -30.9341 -13.9652 -30.9342 19.8445 -94.4253 -13.9652 -94.4251 63.8791 GPRESSAVG: 667200 -57.7438 -31.079 -13.8548 -29.5092 20.3258 -93.29 -13.6431 -94.4187 64.2901 TIMING: 667200 CPU: 2003.06, 0.00301698/step Wall: 2003.06, 0.00301698/step, 3.6311 hours remaining, 208.796875 MB of memory in use. ENERGY: 667200 721.2517 2033.6097 1945.3755 110.0291 -205821.2201 17858.6734 0.0000 0.0000 34397.0807 -148755.2000 300.3983 -183152.2807 -148657.3870 300.6769 -4.9902 21.0903 558983.7230 8.9536 8.9574 PRESSURE: 667400 92.6952 -74.9773 40.8015 -74.9764 75.8315 -182.367 40.7998 -182.367 325.278 GPRESSURE: 667400 88.8055 -33.4106 37.7512 -108.033 158.776 -104.225 37.4832 -172.154 343.989 PRESSAVG: 667400 -0.468459 -70.2726 7.43121 -70.2725 -52.6013 -7.48381 7.4312 -7.48389 30.1037 GPRESSAVG: 667400 -0.155722 -68.5451 8.24004 -72.45 -52.902 -7.76441 7.4817 -8.19864 29.5528 TIMING: 667400 CPU: 2003.66, 0.00301962/step Wall: 2003.66, 0.00301962/step, 3.63411 hours remaining, 208.796875 MB of memory in use. ENERGY: 667400 727.2522 2062.8413 1941.2304 105.1700 -205733.2842 17902.8765 0.0000 0.0000 34324.7407 -148669.1732 299.7665 -182993.9139 -148571.1556 300.8435 164.6016 197.1901 558742.6129 -7.6553 -7.8350 PRESSURE: 667600 -35.1565 79.5536 -111.458 79.5534 -106.96 28.7854 -111.459 28.7864 166.166 GPRESSURE: 667600 -30.0926 24.3902 -125.241 115.215 -71.7361 35.1122 -123.136 7.04217 219.705 PRESSAVG: 667600 36.6102 -0.127879 -19.8523 -0.127952 -72.6352 24.9343 -19.8523 24.9342 28.4167 GPRESSAVG: 667600 37.0573 -1.46854 -21.7059 1.17472 -74.2774 24.5298 -20.7915 25.1628 29.7628 TIMING: 667600 CPU: 2004.26, 0.00301634/step Wall: 2004.26, 0.00301633/step, 3.62999 hours remaining, 208.796875 MB of memory in use. ENERGY: 667600 697.4521 2077.4515 1933.0354 110.1433 -205469.8471 17609.3050 0.0000 0.0000 34379.2144 -148663.2453 300.2422 -183042.4597 -148568.2485 300.4604 8.0164 39.2921 558369.4757 -2.5361 -2.4858 PRESSURE: 667800 -172.881 -242.581 228.137 -242.584 -56.2005 102.986 228.138 102.985 -64.8994 GPRESSURE: 667800 -220.21 -298.825 162.359 -165.154 61.1752 160.089 256.195 86.3877 -31.9611 PRESSAVG: 667800 -13.9114 -33.9009 45.9224 -33.901 34.8308 -39.4164 45.9224 -39.4165 4.33265 GPRESSAVG: 667800 -13.6024 -35.5281 47.1674 -33.7347 34.836 -37.8057 46.2683 -40.534 4.16874 TIMING: 667800 CPU: 2004.87, 0.00302792/step Wall: 2004.87, 0.00302792/step, 3.64377 hours remaining, 208.796875 MB of memory in use. ENERGY: 667800 781.5353 2067.6738 1965.5813 108.4603 -205641.5991 17599.2649 0.0000 0.0000 34384.3627 -148734.7208 300.2872 -183119.0836 -148631.7470 300.9794 -97.9937 -63.6654 557735.6123 8.4173 8.4675 PRESSURE: 668000 225.502 -97.3734 136.8 -97.3732 155.806 -10.2447 136.8 -10.2466 102.481 GPRESSURE: 668000 338.863 -93.297 142.46 -151.694 164.524 34.2501 53.1608 60.8656 91.9973 PRESSAVG: 668000 -44.1555 -6.2552 31.0845 -6.25526 3.63855 -24.2687 31.0845 -24.2689 46.9744 GPRESSAVG: 668000 -43.9223 -3.89457 29.5323 -7.26714 4.53457 -23.9946 31.5132 -22.8211 45.6128 TIMING: 668000 CPU: 2005.47, 0.00301964/step Wall: 2005.47, 0.00301964/step, 3.63364 hours remaining, 208.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 668000 762.8884 2073.3988 1940.7787 116.8354 -206221.7042 18075.1087 0.0000 0.0000 34568.6548 -148684.0393 301.8967 -183252.6941 -148589.3321 300.9155 161.2629 198.4613 558164.6531 2.1525 2.0750 PRESSURE: 668200 85.6861 -146.855 -53.2889 -146.854 -124.707 -99.6756 -53.2892 -99.6749 60.199 GPRESSURE: 668200 91.0236 -158.346 -63.1342 -205.188 -132.596 -207.604 -141.469 47.6201 167.154 PRESSAVG: 668200 -9.53304 5.15044 -6.14874 5.15053 3.96229 -1.09058 -6.14864 -1.09055 16.6191 GPRESSAVG: 668200 -10.3843 4.45726 -3.76922 6.48916 3.04286 -0.615739 -5.7881 -3.10983 18.4438 TIMING: 668200 CPU: 2006.08, 0.00301378/step Wall: 2006.08, 0.00301378/step, 3.62641 hours remaining, 208.796875 MB of memory in use. ENERGY: 668200 724.9809 2050.1185 1958.8090 113.2151 -206028.4610 17868.8949 0.0000 0.0000 34464.4436 -148847.9991 300.9866 -183312.4426 -148744.6419 300.9485 7.0595 41.8605 557649.2837 3.6828 3.7008 LDB: ============= START OF LOAD BALANCING ============== 2009.6 LDB: ============== END OF LOAD BALANCING =============== 2009.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2009.6 LDB: ============= START OF LOAD BALANCING ============== 2009.9 LDB: Largest compute 4794 load 0.028763 is 24.4% of average load 0.117885 LDB: Average compute 0.001725 is 1.5% of average load 0.117885 LDB: TIME 2009.9 LOAD: AVG 0.117885 MAX 0.207047 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.105 MB LDB: TIME 2009.9 LOAD: AVG 0.117885 MAX 0.207047 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.309 MB LDB: TIME 2009.9 LOAD: AVG 0.117885 MAX 0.207047 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.309 MB LDB: ============== END OF LOAD BALANCING =============== 2009.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2009.91 PRESSURE: 668400 121.562 -87.0044 124.104 -87.0057 126.492 -156.634 124.103 -156.635 -21.1317 GPRESSURE: 668400 100.713 -109.927 178.603 -64.3692 191.114 -162.001 117.346 -171.362 38.0788 PRESSAVG: 668400 5.51318 -22.3952 -9.45917 -22.3951 -37.2236 49.4964 -9.45907 49.4962 10.4091 GPRESSAVG: 668400 5.83701 -21.2472 -10.4015 -23.7176 -34.9832 50.7119 -10.0943 51.4398 8.76734 TIMING: 668400 CPU: 2006.69, 0.00308309/step Wall: 2006.69, 0.00308309/step, 3.70964 hours remaining, 207.820312 MB of memory in use. ENERGY: 668400 746.8639 2093.8469 1946.8152 101.7954 -206159.2837 18031.8356 0.0000 0.0000 34224.1895 -149013.9372 298.8884 -183238.1266 -148915.3312 299.8600 75.6408 109.9685 558440.9301 -7.1004 -6.7930 PRESSURE: 668600 133.663 -55.2887 89.9242 -55.2892 -70.1828 -11.9772 89.9243 -11.9765 -286.286 GPRESSURE: 668600 175.092 -57.3228 101.961 -21.0195 -33.4486 54.7566 171.777 36.3975 -255.969 PRESSAVG: 668600 -58.2058 7.84131 33.9768 7.84128 68.6495 -29.1038 33.9768 -29.1038 -16.8762 GPRESSAVG: 668600 -58.0311 6.90022 34.6302 7.8287 66.876 -30.6554 34.9933 -30.3215 -15.9268 TIMING: 668600 CPU: 2007.29, 0.00299817/step Wall: 2007.29, 0.00299817/step, 3.6073 hours remaining, 207.820312 MB of memory in use. ENERGY: 668600 753.4525 2099.6333 1936.5077 123.1770 -205925.3640 17712.0163 0.0000 0.0000 34362.8070 -148937.7703 300.0989 -183300.5773 -148842.4329 299.9864 -74.2686 -38.1083 560011.3396 -2.1442 -2.3606 PRESSURE: 668800 -10.9193 -48.57 42.174 -48.5704 138.009 -179.975 42.1746 -179.975 -220.539 GPRESSURE: 668800 -0.00692422 -183.079 -33.3522 24.2243 200.172 -158.456 108.298 -183.331 -205.846 PRESSAVG: 668800 -3.62985 12.9915 -9.40584 12.9915 67.8153 -44.7123 -9.4057 -44.7123 -13.0584 GPRESSAVG: 668800 -4.52846 10.8168 -10.7946 14.3529 69.7126 -45.9712 -9.27647 -42.3912 -13.9487 TIMING: 668800 CPU: 2007.89, 0.00297156/step Wall: 2007.89, 0.00297156/step, 3.57512 hours remaining, 207.820312 MB of memory in use. ENERGY: 668800 765.0029 2137.3634 1952.2100 112.9065 -206380.8619 17930.1705 0.0000 0.0000 34422.8980 -149060.3106 300.6237 -183483.2086 -148966.9477 300.3542 -31.1499 -1.8937 558922.8048 17.0424 17.0785 PRESSURE: 669000 -178.175 -71.463 96.525 -71.4623 -3.00789 -50.8832 96.5242 -50.8825 101.237 GPRESSURE: 669000 -151.205 -11.1293 20.9349 -100.185 65.9853 -7.9388 104.511 -37.9474 115.526 PRESSAVG: 669000 0.0284473 -28.0508 29.4898 -28.0507 17.181 17.4307 29.4897 17.4307 -20.3273 GPRESSAVG: 669000 0.280231 -27.2829 29.3888 -28.1972 15.6372 18.7645 28.3014 13.5315 -19.1848 TIMING: 669000 CPU: 2008.48, 0.0029819/step Wall: 2008.48, 0.0029819/step, 3.58739 hours remaining, 207.820312 MB of memory in use. ENERGY: 669000 787.6653 2159.4723 1956.5973 110.1106 -205912.9171 17723.7654 0.0000 0.0000 34031.3443 -149143.9619 297.2042 -183175.3062 -149054.6424 299.2950 -26.6487 10.1023 557634.0370 -1.0393 -1.0891 PRESSURE: 669200 149.871 1.5655 4.9979 1.5649 16.1425 -8.67882 4.9961 -8.67816 -202.62 GPRESSURE: 669200 167.94 -43.464 1.09569 -28.213 -10.1289 25.7957 -96.1331 -63.3241 -103.681 PRESSAVG: 669200 34.6558 -27.3074 25.3299 -27.3073 12.5808 -41.2341 25.33 -41.234 -42.8878 GPRESSAVG: 669200 34.1377 -25.823 26.2752 -27.8417 12.6835 -40.9955 27.4696 -37.3094 -42.0621 TIMING: 669200 CPU: 2009.08, 0.00299836/step Wall: 2009.08, 0.00299836/step, 3.60703 hours remaining, 207.820312 MB of memory in use. ENERGY: 669200 689.2713 2120.5537 1926.0438 131.6764 -205777.1226 17753.9865 0.0000 0.0000 34134.4893 -149021.1016 298.1050 -183155.5909 -148917.0862 299.7386 -12.2019 18.0435 558202.4665 1.4496 1.5864 PRESSURE: 669400 -232.927 -62.1427 32.9264 -62.143 176.612 -31.4056 32.9258 -31.4056 -119.428 GPRESSURE: 669400 -240.322 -78.5145 -49.9606 -0.19203 194.836 20.0228 67.4144 -48.0845 -29.0047 PRESSAVG: 669400 -9.95567 35.0569 47.2955 35.057 -28.014 -34.411 47.2955 -34.4109 42.4965 GPRESSAVG: 669400 -9.33126 34.1131 45.1698 36.3789 -27.3953 -35.3537 48.4587 -36.208 40.6442 TIMING: 669400 CPU: 2009.68, 0.0029977/step Wall: 2009.68, 0.0029977/step, 3.60607 hours remaining, 207.820312 MB of memory in use. ENERGY: 669400 781.0867 2131.2144 1928.1452 106.1903 -206436.3303 17847.8290 0.0000 0.0000 34349.2455 -149292.6193 299.9805 -183641.8648 -149189.4313 299.3247 -58.5811 -24.8302 556442.6343 1.5089 1.3059 PRESSURE: 669600 -83.7079 47.2853 -78.4534 47.2859 99.0186 -27.7016 -78.4535 -27.7023 -41.3913 GPRESSURE: 669600 13.6754 56.4847 -81.0978 89.9445 111.704 -159.171 -78.3413 99.8462 -53.5716 PRESSAVG: 669600 -29.5372 -5.46966 15.2898 -5.46962 23.7085 -36.4069 15.2897 -36.4069 10.7574 GPRESSAVG: 669600 -29.3707 -4.24155 16.2622 -5.10325 22.9864 -36.3107 12.5237 -33.994 11.7026 TIMING: 669600 CPU: 2010.29, 0.00302277/step Wall: 2010.29, 0.00302277/step, 3.63606 hours remaining, 207.820312 MB of memory in use. ENERGY: 669600 743.6556 2083.7226 1947.6821 120.1082 -206251.3830 17756.7410 0.0000 0.0000 34358.6097 -149240.8638 300.0623 -183599.4735 -149143.4421 299.6171 -8.6935 23.9359 556607.9302 1.6429 1.7728 PRESSURE: 669800 -299.587 135.712 -54.4366 135.714 -0.368302 76.3451 -54.4364 76.3457 -284.419 GPRESSURE: 669800 -210.281 151.724 -38.5589 110.189 -1.33277 149.928 -64.3171 80.3838 -270.568 PRESSAVG: 669800 -0.230983 43.7815 -17.4875 43.7815 8.99767 -28.6064 -17.4875 -28.6065 -47.4028 GPRESSAVG: 669800 -0.29488 42.864 -16.6501 43.079 10.9934 -28.3885 -16.6489 -31.7437 -48.9855 TIMING: 669800 CPU: 2010.89, 0.00300229/step Wall: 2010.89, 0.00300229/step, 3.61125 hours remaining, 207.820312 MB of memory in use. ENERGY: 669800 748.7938 2131.9774 1957.4635 111.9315 -205884.2738 17604.1186 0.0000 0.0000 34178.1308 -149151.8581 298.4861 -183329.9890 -149050.4007 299.4909 -194.7914 -160.7271 558928.5601 -12.8787 -12.7623 PRESSURE: 670000 -119.26 8.0116 15.2831 8.01139 111.88 44.6566 15.2828 44.6572 25.433 GPRESSURE: 670000 -113.121 -59.8852 92.9452 20.9187 118.666 87.4679 -46.8548 -11.9388 109.162 PRESSAVG: 670000 -80.3763 5.9367 7.8096 5.93679 50.4788 -6.36788 7.80968 -6.36782 -18.899 GPRESSAVG: 670000 -79.7322 6.12283 7.25671 4.35263 48.3886 -5.40157 7.4634 -4.84815 -18.599 TIMING: 670000 CPU: 2011.49, 0.00299229/step Wall: 2011.49, 0.00299229/step, 3.59906 hours remaining, 207.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 670000 779.8356 2052.9674 1961.9508 106.3003 -206328.6839 17820.3504 0.0000 0.0000 34408.3256 -149198.9538 300.4965 -183607.2794 -149103.7308 299.3246 6.0176 38.2356 557936.5230 -16.2655 -16.6475 PRESSURE: 670200 -182.519 62.2693 -122.995 62.2702 -16.5871 -66.6851 -122.995 -66.6852 32.4583 GPRESSURE: 670200 -96.2674 145.519 -122.46 35.861 11.7085 -30.2079 -59.6634 -122.219 19.3886 PRESSAVG: 670200 -27.2452 33.0649 22.9275 33.0648 37.4256 -51.9759 22.9275 -51.976 -23.5545 GPRESSAVG: 670200 -27.2152 32.8981 21.8873 33.4496 38.2314 -51.3996 23.0849 -53.7004 -24.0509 TIMING: 670200 CPU: 2012.08, 0.00296235/step Wall: 2012.08, 0.00296235/step, 3.56288 hours remaining, 207.820312 MB of memory in use. ENERGY: 670200 768.1910 2088.3989 1948.0793 124.2726 -205823.8182 17655.3067 0.0000 0.0000 34106.8706 -149132.6991 297.8638 -183239.5698 -149043.6612 298.5927 -55.5493 -21.7235 556932.1589 -4.4580 -4.3449 PRESSURE: 670400 111.59 -90.9135 -91.056 -90.9137 -152.243 -38.066 -91.0547 -38.0655 114.179 GPRESSURE: 670400 94.8485 -46.025 -100.671 -66.1683 -98.7353 12.5645 -100.283 -13.2681 178.896 PRESSAVG: 670400 36.532 -31.0779 1.24697 -31.0779 -5.53198 -39.8551 1.24695 -39.855 -47.8801 GPRESSAVG: 670400 35.0444 -32.1395 1.17952 -30.7938 -4.35077 -41.104 -0.423055 -40.5404 -47.5325 TIMING: 670400 CPU: 2012.67, 0.00296762/step Wall: 2012.67, 0.00296762/step, 3.56905 hours remaining, 207.820312 MB of memory in use. ENERGY: 670400 741.7024 2014.8417 1976.1280 95.1604 -206070.0321 17622.4056 0.0000 0.0000 34380.9765 -149238.8175 300.2576 -183619.7940 -149135.8493 298.7478 24.5087 58.3365 557444.3618 -5.6267 -5.6129 PRESSURE: 670600 -127.692 177.326 -19.6774 177.327 26.6107 -100.683 -19.6772 -100.683 -344.859 GPRESSURE: 670600 -107.752 145.957 -46.9771 131.876 13.7943 -171.599 -18.4239 -83.0351 -255.923 PRESSAVG: 670600 51.1892 -4.67596 8.90026 -4.67601 -8.64725 -71.9466 8.90026 -71.9465 -1.36304 GPRESSAVG: 670600 51.9263 -3.47252 9.775 -5.32738 -9.18106 -71.6384 9.97193 -70.1323 -1.53004 TIMING: 670600 CPU: 2013.27, 0.0029887/step Wall: 2013.27, 0.0029887/step, 3.59424 hours remaining, 207.820312 MB of memory in use. ENERGY: 670600 746.5331 2024.3505 1949.7180 105.8191 -205859.4144 17614.0787 0.0000 0.0000 34242.5333 -149176.3817 299.0486 -183418.9151 -149081.0070 299.4529 -148.6467 -116.6270 558062.6404 13.7263 13.7384 PRESSURE: 670800 -153.115 111.523 84.3062 111.524 -255.01 -7.98974 84.3064 -7.99184 14.3967 GPRESSURE: 670800 -108.85 14.8306 57.8663 172.555 -227.63 -67.0045 238.794 11.0791 37.4635 PRESSAVG: 670800 49.7729 0.0888966 62.2188 0.0887877 13.5873 -7.94048 62.2188 -7.94058 -71.2484 GPRESSAVG: 670800 50.5209 -0.29926 62.5345 0.226451 12.5979 -8.94705 61.8045 -7.32809 -71.1713 TIMING: 670800 CPU: 2013.87, 0.00301208/step Wall: 2013.87, 0.00301208/step, 3.6222 hours remaining, 207.820312 MB of memory in use. ENERGY: 670800 745.4088 2104.8931 1935.7698 115.7956 -205986.0922 17569.6133 0.0000 0.0000 34175.5129 -149339.0988 298.4633 -183514.6117 -149242.8467 299.3290 -131.2429 -99.6721 557316.9892 -2.6294 -2.6842 PRESSURE: 671000 51.7442 -37.3757 26.3709 -37.3758 45.3183 -47.2729 26.3712 -47.2734 -23.2537 GPRESSURE: 671000 62.8467 -50.4247 52.8517 2.89947 60.5952 -153.026 -14.2328 -34.4698 52.3805 PRESSAVG: 671000 91.2175 4.36147 15.9939 4.36149 -45.9013 -19.8475 15.9939 -19.8475 -26.1736 GPRESSAVG: 671000 90.5362 3.43416 13.9686 4.69233 -45.365 -19.482 17.4538 -19.9718 -26.0156 TIMING: 671000 CPU: 2014.47, 0.00299655/step Wall: 2014.47, 0.00299655/step, 3.60335 hours remaining, 207.820312 MB of memory in use. ENERGY: 671000 740.7040 2101.1013 1927.9243 124.8392 -206224.0631 17917.3037 0.0000 0.0000 34134.9716 -149277.2190 298.1092 -183412.1906 -149175.9319 299.2468 24.6029 58.6074 557322.3748 6.3808 6.3852 PRESSURE: 671200 97.1235 -41.3172 -15.656 -41.3159 -194.232 -2.21396 -15.6569 -2.21393 -182.962 GPRESSURE: 671200 152.7 -122.714 -36.7143 -60.2385 -134.333 28.7266 -34.4622 52.3455 -201.619 PRESSAVG: 671200 34.6818 16.8831 -22.9793 16.8831 -17.8862 -23.5714 -22.9792 -23.5714 -13.5529 GPRESSAVG: 671200 36.7173 16.9064 -20.2238 16.5336 -19.0951 -22.5521 -23.7199 -22.5319 -14.3929 TIMING: 671200 CPU: 2015.08, 0.00302434/step Wall: 2015.08, 0.00302434/step, 3.6366 hours remaining, 207.820312 MB of memory in use. ENERGY: 671200 752.8053 2019.0687 1936.3264 101.1847 -206525.6148 17876.1652 0.0000 0.0000 34248.9323 -149591.1322 299.1044 -183840.0645 -149493.8236 298.1685 -93.3568 -61.0841 557142.5720 1.0809 1.0764 PRESSURE: 671400 -63.1906 -100.164 -171.134 -100.164 -168.093 -158.463 -171.135 -158.464 -265.074 GPRESSURE: 671400 -23.6615 -92.4081 -142.706 -35.0021 -154.025 -131.718 -130.937 -96.0437 -229.852 PRESSAVG: 671400 26.0633 7.47931 -48.9291 7.47928 52.582 -16.0589 -48.9291 -16.0589 -68.0793 GPRESSAVG: 671400 24.3185 10.9581 -49.2675 4.64771 53.698 -16.8788 -49.4718 -15.7062 -67.6047 TIMING: 671400 CPU: 2015.68, 0.002995/step Wall: 2015.68, 0.002995/step, 3.60116 hours remaining, 207.820312 MB of memory in use. ENERGY: 671400 738.8943 2028.7561 1920.6752 89.6180 -205896.8344 17504.4236 0.0000 0.0000 34125.9082 -149488.5590 298.0300 -183614.4673 -149388.6357 297.7305 -165.4526 -135.8461 557822.2026 3.5220 3.4706 PRESSURE: 671600 119.124 -60.6551 78.6802 -60.6545 46.2125 16.855 78.6815 16.8548 -123.229 GPRESSURE: 671600 180.25 -78.6193 112.65 19.6924 55.2688 2.7991 101.817 85.103 -98.3279 PRESSAVG: 671600 69.6057 -21.3972 17.8073 -21.3972 -39.4536 15.6632 17.8073 15.6632 -57.7006 GPRESSAVG: 671600 70.4183 -22.9158 17.3118 -20.0804 -40.2151 13.5658 18.1791 15.9559 -57.795 TIMING: 671600 CPU: 2016.27, 0.00298948/step Wall: 2016.27, 0.00298948/step, 3.59435 hours remaining, 207.820312 MB of memory in use. ENERGY: 671600 727.9899 2028.8932 1969.8112 104.2570 -206211.1316 17743.5427 0.0000 0.0000 34035.7856 -149600.8519 297.2430 -183636.6375 -149499.1008 297.9413 14.0356 45.7304 556802.7136 -9.1828 -9.1973 PRESSURE: 671800 -257.338 -46.2165 -147.359 -46.2159 -281.36 -77.6567 -147.359 -77.6571 278.836 GPRESSURE: 671800 -172.42 -27.6306 -206.342 23.8556 -265.054 -43.5078 -148.635 -91.8588 272.638 PRESSAVG: 671800 10.1298 9.78303 11.1089 9.78302 -3.83107 -43.0087 11.109 -43.0086 3.77746 GPRESSAVG: 671800 9.68008 8.41703 9.88293 11.1206 -3.72575 -40.5312 10.837 -45.6804 4.19003 TIMING: 671800 CPU: 2016.87, 0.00297049/step Wall: 2016.87, 0.00297049/step, 3.57136 hours remaining, 207.820312 MB of memory in use. ENERGY: 671800 753.1750 2084.4265 1921.2257 117.8749 -206451.7139 17649.7226 0.0000 0.0000 34295.6891 -149629.6001 299.5128 -183925.2892 -149534.3644 298.3573 -86.6211 -54.9453 555984.1379 3.3587 3.3815 PRESSURE: 672000 -324.023 -32.322 228.736 -32.3219 -148.642 12.5291 228.735 12.5291 -298.062 GPRESSURE: 672000 -275.262 -16.569 185.034 61.6467 -104.681 -8.76614 201.962 -5.60807 -280.024 PRESSAVG: 672000 -2.60009 32.7587 -1.17726 32.7587 -53.6402 32.1593 -1.17729 32.1594 19.3275 GPRESSAVG: 672000 -2.45693 35.7368 0.149834 31.5507 -52.938 31.7844 -0.402925 33.8059 17.7867 TIMING: 672000 CPU: 2017.46, 0.00298179/step Wall: 2017.46, 0.00298179/step, 3.58478 hours remaining, 207.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 672000 734.7240 2068.0088 1930.4696 109.3164 -205786.6101 17361.9711 0.0000 0.0000 34026.7941 -149555.3262 297.1645 -183582.1203 -149461.6289 298.0592 -256.9091 -219.9890 557311.2155 -12.3043 -12.5361 PRESSURE: 672200 128.762 -16.7172 -35.6534 -16.7178 -168.399 36.6989 -35.6536 36.6974 291.598 GPRESSURE: 672200 204.169 8.57803 -43.1346 1.38685 -127.424 -4.96528 -96.6779 25.6368 269.925 PRESSAVG: 672200 -11.3532 34.3339 -51.1065 34.3339 41.6495 29.5373 -51.1065 29.5373 -16.021 GPRESSAVG: 672200 -12.1219 32.7647 -50.6516 33.9174 42.4033 29.787 -49.7565 28.0302 -15.9333 TIMING: 672200 CPU: 2018.06, 0.00300759/step Wall: 2018.06, 0.00300759/step, 3.61563 hours remaining, 207.820312 MB of memory in use. ENERGY: 672200 758.6732 2080.1667 1931.5442 115.4461 -206154.2836 17774.9091 0.0000 0.0000 34076.7394 -149416.8049 297.6006 -183493.5443 -149319.0779 298.6843 83.9870 115.5565 556680.6129 4.7584 4.7827 LDB: ============= START OF LOAD BALANCING ============== 2021.58 LDB: ============== END OF LOAD BALANCING =============== 2021.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2021.59 LDB: ============= START OF LOAD BALANCING ============== 2021.89 LDB: Largest compute 4794 load 0.030501 is 25.9% of average load 0.117909 LDB: Average compute 0.001724 is 1.5% of average load 0.117909 LDB: TIME 2021.89 LOAD: AVG 0.117909 MAX 0.207411 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.82 MB LDB: TIME 2021.89 LOAD: AVG 0.117909 MAX 0.207411 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.023 MB LDB: TIME 2021.89 LOAD: AVG 0.117909 MAX 0.207411 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.023 MB LDB: ============== END OF LOAD BALANCING =============== 2021.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2021.9 PRESSURE: 672400 275.332 93.9396 -88.0883 93.9401 228.092 8.70714 -88.0884 8.70628 195.344 GPRESSURE: 672400 339.275 41.4202 -174.001 72.0994 242.633 116.567 -31.4939 -38.8555 208 PRESSAVG: 672400 8.39346 -3.52525 -11.1382 -3.52518 20.7344 -44.1575 -11.1382 -44.1574 -46.3171 GPRESSAVG: 672400 9.41543 -4.63951 -13.4215 -3.63113 20.0194 -43.1968 -11.0701 -43.0058 -46.8004 TIMING: 672400 CPU: 2018.68, 0.00308341/step Wall: 2018.68, 0.00308341/step, 3.7066 hours remaining, 208.652344 MB of memory in use. ENERGY: 672400 742.9468 2058.9336 1937.2081 106.1710 -206453.7605 17877.2174 0.0000 0.0000 34169.4723 -149561.8113 298.4105 -183731.2836 -149460.2339 297.8973 232.9227 263.3023 556357.1882 -5.7298 -5.7885 PRESSURE: 672600 -50.9048 44.3874 -19.454 44.3887 -125.139 135.937 -19.4527 135.936 220.052 GPRESSURE: 672600 -42.5136 49.9942 48.4925 28.5018 -83.3977 102.497 -50.6573 40.8203 273.955 PRESSAVG: 672600 26.9371 26.2315 -32.3832 26.2315 -21.4969 10.5435 -32.3832 10.5434 7.4325 GPRESSAVG: 672600 26.8015 27.374 -31.6896 26.3312 -22.689 8.82244 -34.1092 9.13378 9.17499 TIMING: 672600 CPU: 2019.28, 0.00299995/step Wall: 2019.28, 0.00299995/step, 3.6061 hours remaining, 208.652344 MB of memory in use. ENERGY: 672600 719.7126 2135.8245 1937.9958 113.3670 -206377.0552 17838.8167 0.0000 0.0000 34087.5211 -149543.8175 297.6948 -183631.3386 -149444.0305 298.0348 14.6695 49.3479 555675.8170 4.2909 4.4292 PRESSURE: 672800 144.419 -125.809 -138.664 -125.81 -184.573 24.4946 -138.664 24.4947 193.07 GPRESSURE: 672800 206.024 -71.77 -93.3708 -141.949 -154.285 10.6272 -152.411 66.7076 198.85 PRESSAVG: 672800 55.1285 14.3094 -44.7021 14.3095 -44.2707 -38.5401 -44.7021 -38.5401 -22.4868 GPRESSAVG: 672800 54.6291 12.9931 -43.2213 14.2332 -43.1456 -38.8998 -43.9537 -37.3627 -23.603 TIMING: 672800 CPU: 2019.88, 0.00297043/step Wall: 2019.88, 0.00297043/step, 3.57046 hours remaining, 208.652344 MB of memory in use. ENERGY: 672800 743.6778 2099.1182 1903.9754 113.6550 -206240.8022 17747.1903 0.0000 0.0000 34197.7230 -149435.4625 298.6572 -183633.1855 -149345.4294 299.1116 50.9718 83.5298 557152.9217 -3.8763 -4.0398 PRESSURE: 673000 104.189 47.8058 -56.1821 47.8056 40.9291 -31.2743 -56.1825 -31.2768 30.717 GPRESSURE: 673000 106.751 119.834 17.3742 19.6835 101.276 -54.9305 -11.4942 -80.2766 67.7257 PRESSAVG: 673000 -0.675995 32.1418 -6.82708 32.1417 7.53117 48.974 -6.82712 48.9742 9.31125 GPRESSAVG: 673000 -1.71989 34.3235 -5.29641 33.1371 7.62549 47.9818 -8.4989 47.7683 10.1904 TIMING: 673000 CPU: 2020.47, 0.00297863/step Wall: 2020.47, 0.00297863/step, 3.58015 hours remaining, 208.652344 MB of memory in use. ENERGY: 673000 765.6477 2071.5611 1925.2070 110.2095 -206526.6063 18032.9104 0.0000 0.0000 34061.5225 -149559.5481 297.4677 -183621.0706 -149462.5139 298.3624 58.6119 91.9174 557796.7376 5.3888 5.3653 PRESSURE: 673200 -287.071 -110.549 116.852 -110.548 123.748 198.577 116.852 198.577 -121.954 GPRESSURE: 673200 -245.96 -284.702 9.11957 -43.2635 169.253 186.676 166.441 299.184 -114.651 PRESSAVG: 673200 40.8685 33.349 13.3017 33.349 39.4779 16.3821 13.3018 16.3821 -64.1187 GPRESSAVG: 673200 42.2031 31.421 13.8452 32.2356 38.3308 17.6397 13.4446 16.6891 -64.1537 TIMING: 673200 CPU: 2021.07, 0.00297207/step Wall: 2021.07, 0.00297207/step, 3.5721 hours remaining, 208.652344 MB of memory in use. ENERGY: 673200 721.6161 2110.6992 1948.2377 111.6925 -206562.1040 17873.8446 0.0000 0.0000 34185.3677 -149610.6462 298.5493 -183796.0139 -149509.2024 299.0924 -95.0922 -63.7861 556859.0899 5.4092 5.4600 PRESSURE: 673400 12.9173 -158.925 173.285 -158.925 85.9137 37 173.285 36.9989 155.993 GPRESSURE: 673400 62.8967 -212.659 87.9571 -166.275 106.4 49.6502 236.368 65.6789 178.161 PRESSAVG: 673400 -32.8275 5.8509 28.031 5.85091 44.9397 -16.1882 28.031 -16.1883 -4.86803 GPRESSAVG: 673400 -32.513 6.46512 24.818 8.01777 45.568 -17.2995 28.8382 -16.805 -6.05764 TIMING: 673400 CPU: 2021.66, 0.00297524/step Wall: 2021.66, 0.00297524/step, 3.57574 hours remaining, 208.652344 MB of memory in use. ENERGY: 673400 751.1858 2133.6745 1920.4087 109.5937 -206674.2559 18092.4018 0.0000 0.0000 34237.2344 -149429.7570 299.0023 -183666.9914 -149329.6687 299.1177 84.9414 115.8192 556973.7816 2.4147 2.3325 PRESSURE: 673600 5.89128 58.3014 -20.8132 58.3011 -7.78454 42.7503 -20.8136 42.749 -403.282 GPRESSURE: 673600 77.8417 119.345 -1.39334 47.1959 -16.7906 -50.5536 35.5786 46.3404 -361.686 PRESSAVG: 673600 -3.98362 -7.65441 -11.285 -7.65444 54.8594 -77.696 -11.285 -77.696 -66.2624 GPRESSAVG: 673600 -4.21695 -6.98334 -12.1884 -10.0346 54.7134 -78.3292 -8.44391 -75.6419 -65.9829 TIMING: 673600 CPU: 2022.26, 0.0029985/step Wall: 2022.26, 0.0029985/step, 3.60353 hours remaining, 208.652344 MB of memory in use. ENERGY: 673600 784.6215 2141.3746 1916.6060 112.6624 -206479.5055 17814.4988 0.0000 0.0000 34361.6366 -149348.1055 300.0887 -183709.7421 -149252.2381 299.6271 -135.0585 -100.2117 557411.1680 -5.1289 -5.1621 PRESSURE: 673800 219.442 65.9376 111.25 65.9376 68.6014 94.4398 111.25 94.4377 -106.682 GPRESSURE: 673800 232.528 84.6315 136.163 79.3382 131.263 54.157 107.175 75.7712 -89.3374 PRESSAVG: 673800 -14.4565 41.3156 1.74102 41.3155 37.835 -8.67593 1.741 -8.67588 2.18667 GPRESSAVG: 673800 -14.8279 40.6128 3.10586 40.7712 37.5587 -8.48871 -1.2509 -7.56019 2.96144 TIMING: 673800 CPU: 2022.86, 0.00299182/step Wall: 2022.86, 0.00299182/step, 3.59534 hours remaining, 208.652344 MB of memory in use. ENERGY: 673800 742.7369 2152.8144 1918.5619 111.5859 -206413.1759 17925.1803 0.0000 0.0000 34267.7531 -149294.5434 299.2688 -183562.2966 -149195.7758 299.4217 60.4539 91.4844 557111.4527 8.5217 8.5641 PRESSURE: 674000 -179.603 83.4731 2.08457 83.4728 -382.476 -82.6302 2.08537 -82.6285 -19.4263 GPRESSURE: 674000 -177.648 30.2269 -0.413879 122.517 -280.464 -96.8826 17.5236 -150.247 -6.58649 PRESSAVG: 674000 -11.2937 -38.9948 3.3836 -38.9948 0.989421 -25.3752 3.38361 -25.3753 -0.319905 GPRESSAVG: 674000 -10.5284 -39.9413 4.91906 -38.9289 -0.36323 -25.6979 1.91891 -27.3862 -0.308228 TIMING: 674000 CPU: 2023.45, 0.00296412/step Wall: 2023.45, 0.00296412/step, 3.56189 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: 674000 797.0389 2098.2551 1935.4658 121.1479 -206128.3431 17726.1206 0.0000 0.0000 34153.5874 -149296.7274 298.2718 -183450.3148 -149208.8386 298.9953 -193.8351 -154.8996 557422.6266 -3.5414 -3.7333 PRESSURE: 674200 57.4054 66.7467 -177.731 66.7461 -158.843 61.9634 -177.73 61.9616 37.0014 GPRESSURE: 674200 125.309 20.5763 -242.202 -31.3822 -165.925 189.894 -132.21 39.8084 66.1302 PRESSAVG: 674200 94.6199 0.128221 21.9339 0.12826 -100.62 -33.5641 21.9339 -33.5641 -18.7526 GPRESSAVG: 674200 93.7394 -0.304092 19.4705 0.84715 -99.2288 -31.8024 24.2732 -32.5759 -18.957 TIMING: 674200 CPU: 2024.04, 0.00295321/step Wall: 2024.04, 0.00295321/step, 3.5486 hours remaining, 208.652344 MB of memory in use. ENERGY: 674200 732.0729 2120.3004 1898.0540 114.6701 -206418.9193 17814.3337 0.0000 0.0000 34241.5537 -149497.9345 299.0400 -183739.4881 -149397.3314 298.9384 -21.4788 8.5047 555547.0100 -8.2510 -8.1488 PRESSURE: 674400 -43.9935 -66.9644 3.89651 -66.9657 -65.1603 -110.544 3.89711 -110.543 243.859 GPRESSURE: 674400 41.3847 -55.9336 90.3878 -142.849 -69.5791 -141.149 -122.227 -100.572 248.134 PRESSAVG: 674400 44.374 -27.2494 4.77574 -27.2494 5.93584 -19.4285 4.77576 -19.4286 29.8467 GPRESSAVG: 674400 45.0146 -25.7994 6.22427 -27.8548 5.8574 -18.7703 4.55546 -20.2079 28.8508 TIMING: 674400 CPU: 2024.63, 0.00295959/step Wall: 2024.63, 0.00295959/step, 3.55611 hours remaining, 208.652344 MB of memory in use. ENERGY: 674400 725.4091 2157.6641 1920.1765 118.5968 -206259.5159 17752.3388 0.0000 0.0000 34088.7731 -149496.5576 297.7057 -183585.3306 -149397.5795 299.2093 44.9016 73.3133 555554.6266 26.7188 26.5743 PRESSURE: 674600 -306.972 -34.676 -32.7399 -34.6756 -156.117 -14.7841 -32.7391 -14.7843 42.5671 GPRESSURE: 674600 -280.243 -69.4259 68.6836 -6.26216 -164.836 5.63777 -43.9077 -91.4411 112.213 PRESSAVG: 674600 0.981743 -10.9959 -21.5454 -10.9959 -29.5672 15.4701 -21.5454 15.4701 -13.9293 GPRESSAVG: 674600 0.351746 -11.7291 -20.3227 -10.456 -28.2959 14.5754 -21.9196 14.1992 -14.5629 TIMING: 674600 CPU: 2025.22, 0.00294288/step Wall: 2025.22, 0.00294288/step, 3.53587 hours remaining, 208.652344 MB of memory in use. ENERGY: 674600 761.4752 2097.8444 1932.1275 113.1784 -206222.3570 17726.0429 0.0000 0.0000 34035.1463 -149556.5423 297.2374 -183591.6886 -149455.8107 298.4983 -140.1738 -110.9553 556775.2727 -14.1716 -14.1690 PRESSURE: 674800 -310.192 -65.7766 -58.2485 -65.7762 258.02 65.099 -58.2497 65.0973 -308.562 GPRESSURE: 674800 -261.616 -49.591 20.2286 -77.2021 279.207 28.9716 -193.014 88.0425 -263.736 PRESSAVG: 674800 -21.8394 23.2182 -58.8436 23.2182 67.9683 29.8235 -58.8437 29.8235 -44.582 GPRESSAVG: 674800 -21.0868 23.3811 -60.0931 23.175 67.6023 29.3422 -59.0569 31.323 -45.3888 TIMING: 674800 CPU: 2025.81, 0.00295063/step Wall: 2025.81, 0.00295063/step, 3.54501 hours remaining, 208.652344 MB of memory in use. ENERGY: 674800 726.4409 2086.7719 1931.9300 111.0388 -206308.1922 17638.7539 0.0000 0.0000 34138.6268 -149674.6300 298.1411 -183813.2568 -149573.2943 298.4057 -120.2448 -82.0483 556137.4851 0.5156 0.3755 PRESSURE: 675000 -133.849 -47.5073 -136.076 -47.5066 -43.7804 117.136 -136.076 117.136 158.524 GPRESSURE: 675000 -73.1507 -118.567 -168.937 -50.5093 -47.0155 87.6102 -138.616 26.7394 194.223 PRESSAVG: 675000 0.339065 70.676 -40.824 70.676 13.0344 19.6155 -40.8239 19.6156 -16.0334 GPRESSAVG: 675000 -1.21847 72.7185 -41.8142 69.7292 11.8181 20.1788 -38.9871 19.4867 -13.8276 TIMING: 675000 CPU: 2026.4, 0.00295154/step Wall: 2026.4, 0.00295154/step, 3.54594 hours remaining, 208.652344 MB of memory in use. ENERGY: 675000 743.1148 2063.5557 1915.1625 105.2459 -206728.0033 17855.8152 0.0000 0.0000 34307.0890 -149738.0200 299.6123 -184045.1090 -149640.2906 297.9129 -6.3684 24.6857 555556.1345 -0.8866 -1.0760 PRESSURE: 675200 -137.837 37.9299 -41.4747 37.931 36.7288 70.3211 -41.4751 70.3215 61.8432 GPRESSURE: 675200 -106.83 149.113 -11.6201 72.9664 35.7255 44.9993 -12.5332 13.4367 129.409 PRESSAVG: 675200 4.12741 -11.9559 -51.2096 -11.956 2.58847 -40.4942 -51.2096 -40.4942 9.29447 GPRESSAVG: 675200 4.55393 -13.2964 -50.3559 -10.8427 3.24599 -40.9422 -52.9367 -40.8103 7.59737 TIMING: 675200 CPU: 2027, 0.00298817/step Wall: 2027, 0.00298817/step, 3.58979 hours remaining, 208.652344 MB of memory in use. ENERGY: 675200 740.6000 2075.6436 1932.0882 104.9269 -206415.5780 17763.4671 0.0000 0.0000 33841.4315 -149957.4207 295.5456 -183798.8522 -149864.0028 297.3872 -13.0882 19.4350 556222.2827 5.3368 5.1324 PRESSURE: 675400 -96.8853 -19.4673 97.8813 -19.4673 -322.789 -67.5977 97.8804 -67.5975 -28.3138 GPRESSURE: 675400 -70.5602 -42.8896 44.7554 -2.03078 -260.251 6.21106 140.614 -99.572 -23.2417 PRESSAVG: 675400 25.3704 34.2231 -5.19265 34.2231 22.5313 44.4667 -5.19267 44.4667 -16.1284 GPRESSAVG: 675400 25.0012 34.7189 -6.11979 35.0552 23.2988 43.307 -5.18527 45.022 -16.5321 TIMING: 675400 CPU: 2027.6, 0.00298293/step Wall: 2027.6, 0.00298293/step, 3.58333 hours remaining, 208.652344 MB of memory in use. ENERGY: 675400 764.9363 2098.6334 1913.5549 98.0294 -206604.4092 17884.7871 0.0000 0.0000 33938.3879 -149906.0802 296.3924 -183844.4681 -149812.7836 297.4811 -149.3294 -118.0176 556633.8158 10.5911 10.5893 PRESSURE: 675600 -386.141 -229.913 -2.01683 -229.911 -133.17 -100.378 -2.01691 -100.379 -145.57 GPRESSURE: 675600 -328.443 -157.931 76.9433 -213.18 -108.058 -88.6543 -66.4871 -80.5207 -124.295 PRESSAVG: 675600 -9.56202 10.1405 1.28439 10.1405 19.8916 8.90295 1.28439 8.9029 -19.747 GPRESSAVG: 675600 -10.239 9.32953 2.43092 9.24094 19.0834 9.20756 0.49394 9.71765 -18.0939 TIMING: 675600 CPU: 2028.19, 0.00296132/step Wall: 2028.19, 0.00296132/step, 3.5572 hours remaining, 208.652344 MB of memory in use. ENERGY: 675600 729.5702 2103.8619 1936.8908 111.7518 -206500.1491 17543.6775 0.0000 0.0000 34275.8512 -149798.5455 299.3395 -184074.3967 -149702.5621 297.8165 -221.6267 -186.9321 557982.9150 -3.1391 -3.0831 PRESSURE: 675800 -42.2406 56.434 39.0873 56.4343 -2.62643 60.3697 39.0858 60.3719 12.9674 GPRESSURE: 675800 -5.64671 122.305 70.4204 18.1559 24.686 72.7303 15.7582 21.5724 32.5738 PRESSAVG: 675800 -24.8608 -41.8553 -30.7438 -41.8553 -6.83853 24.5089 -30.7437 24.509 -7.59965 GPRESSAVG: 675800 -22.6856 -39.5209 -29.5931 -43.0307 -7.40737 24.5295 -31.6068 22.5854 -9.01066 TIMING: 675800 CPU: 2028.79, 0.00301586/step Wall: 2028.79, 0.00301586/step, 3.62254 hours remaining, 208.652344 MB of memory in use. ENERGY: 675800 774.3556 2077.8753 1969.8218 111.8946 -206644.6163 17949.5979 0.0000 0.0000 34038.7472 -149722.3239 297.2688 -183761.0711 -149633.3434 297.6223 -10.6332 17.2044 556148.5160 -13.0997 -13.0345 PRESSURE: 676000 82.5264 172.28 -108.413 172.28 62.1102 -35.1946 -108.413 -35.1955 106.642 GPRESSURE: 676000 48.5233 131.448 -211.095 192.299 118.65 -47.98 2.54967 -38.5256 185.41 PRESSAVG: 676000 -63.1852 54.4501 -26.3196 54.4502 10.041 43.111 -26.3196 43.111 46.6469 GPRESSAVG: 676000 -64.9079 53.5042 -26.0044 55.8207 11.6651 41.5341 -25.3959 44.909 47.5156 TIMING: 676000 CPU: 2029.4, 0.00303058/step Wall: 2029.4, 0.00303058/step, 3.64006 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: 676000 739.3021 2004.3176 1956.2966 108.8286 -206712.4722 17939.8912 0.0000 0.0000 34471.1704 -149492.6657 301.0453 -183963.8360 -149394.3026 298.3821 83.7594 117.5279 556248.0818 -2.1658 -1.9091 PRESSURE: 676200 21.1642 -46.1303 49.8428 -46.1302 -88.4722 121.861 49.8412 121.863 120.554 GPRESSURE: 676200 43.5741 -0.328337 22.1281 -30.1055 -21.2565 61.9727 -6.12806 187.043 142.241 PRESSAVG: 676200 -11.7323 -6.27116 20.6171 -6.27111 33.9739 -50.7144 20.6171 -50.7144 33.6814 GPRESSAVG: 676200 -11.079 -7.36754 18.2235 -5.62879 33.7562 -50.2821 21.3018 -50.7683 32.9591 TIMING: 676200 CPU: 2030.01, 0.00303123/step Wall: 2030.01, 0.00303123/step, 3.64067 hours remaining, 208.652344 MB of memory in use. ENERGY: 676200 699.4658 2059.0904 1969.4222 124.9864 -206309.9336 17841.4307 0.0000 0.0000 34346.9072 -149268.6309 299.9601 -183615.5381 -149165.8689 298.7120 17.7488 54.8528 558061.7940 18.6410 18.5454 LDB: ============= START OF LOAD BALANCING ============== 2033.53 LDB: ============== END OF LOAD BALANCING =============== 2033.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2033.53 LDB: ============= START OF LOAD BALANCING ============== 2033.84 LDB: Largest compute 4794 load 0.028197 is 23.9% of average load 0.117929 LDB: Average compute 0.001732 is 1.5% of average load 0.117929 LDB: TIME 2033.84 LOAD: AVG 0.117929 MAX 0.214091 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.414 MB LDB: TIME 2033.84 LOAD: AVG 0.117929 MAX 0.214091 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.484 MB LDB: TIME 2033.84 LOAD: AVG 0.117929 MAX 0.214091 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.484 MB LDB: ============== END OF LOAD BALANCING =============== 2033.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2033.84 PRESSURE: 676400 -40.4964 213.826 -124.01 213.828 118.583 -55.6748 -124.009 -55.6761 -123.253 GPRESSURE: 676400 34.2097 264.084 -97.1193 195.795 117.321 -71.3581 -134.331 -13.0923 -95.0122 PRESSAVG: 676400 26.2739 26.6724 8.59678 26.6725 22.8864 -21.2654 8.59681 -21.2654 -48.0275 GPRESSAVG: 676400 26.2314 26.844 8.54059 28.1257 21.4213 -21.4095 9.72315 -24.9247 -46.6915 TIMING: 676400 CPU: 2030.63, 0.00311229/step Wall: 2030.63, 0.00311229/step, 3.73786 hours remaining, 208.015625 MB of memory in use. ENERGY: 676400 734.5230 2084.3746 1957.2482 114.1256 -206307.2832 17763.1895 0.0000 0.0000 34279.6965 -149374.1258 299.3731 -183653.8223 -149284.5609 298.9152 -15.0555 18.8394 557698.5475 0.3776 0.3204 PRESSURE: 676600 31.4613 -27.6103 29.5658 -27.6109 -57.5341 -20.3032 29.5663 -20.3035 -59.9758 GPRESSURE: 676600 43.6173 -145.174 154.334 41.4836 -13.6033 -0.285975 38.8774 -65.9231 -15.1838 PRESSAVG: 676600 25.4715 -11.558 16.6385 -11.5581 -33.3025 1.53755 16.6384 1.53757 45.899 GPRESSAVG: 676600 25.8217 -9.86822 19.2949 -11.8388 -32.6014 3.69004 13.3392 3.44521 44.8377 TIMING: 676600 CPU: 2031.24, 0.0030449/step Wall: 2031.24, 0.0030449/step, 3.65675 hours remaining, 208.218750 MB of memory in use. ENERGY: 676600 739.6744 2078.7391 1919.2337 124.2408 -206331.4257 17796.1371 0.0000 0.0000 34312.0411 -149361.3595 299.6556 -183673.4006 -149256.4661 299.4664 -28.6829 4.9434 557494.1153 12.6893 12.6860 PRESSURE: 676800 19.2754 -166.821 26.5355 -166.822 49.8771 144.497 26.535 144.498 64.4588 GPRESSURE: 676800 69.7547 -140.65 -100.632 -199.446 79.6437 198.004 148.34 164.907 60.5096 PRESSAVG: 676800 -4.66709 -33.7956 12.5854 -33.7956 -53.5292 66.0582 12.5853 66.0582 81.1176 GPRESSAVG: 676800 -5.61878 -34.6788 9.72904 -34.0277 -53.234 65.5052 16.038 66.0026 81.2708 TIMING: 676800 CPU: 2031.85, 0.00305104/step Wall: 2031.85, 0.00305104/step, 3.66396 hours remaining, 208.218750 MB of memory in use. ENERGY: 676800 774.0112 2138.5825 1924.6881 101.2849 -206615.3595 18063.1177 0.0000 0.0000 34258.2355 -149355.4397 299.1857 -183613.6752 -149264.3350 299.1837 44.5371 69.9693 556825.4891 7.6405 7.4727 PRESSURE: 677000 -1.93651 96.3806 221.683 96.381 -107.291 101.699 221.682 101.7 2.38412 GPRESSURE: 677000 -10.3167 68.0653 198.653 185.408 -99.5673 84.7214 270.724 14.7947 88.6822 PRESSAVG: 677000 -15.2402 36.873 -1.71916 36.8729 13.6297 60.997 -1.71921 60.997 24.4504 GPRESSAVG: 677000 -15.1514 37.2414 2.10237 37.7734 12.3868 60.7997 -4.54529 61.191 25.4062 TIMING: 677000 CPU: 2032.45, 0.00301502/step Wall: 2032.45, 0.00301502/step, 3.62054 hours remaining, 208.218750 MB of memory in use. ENERGY: 677000 760.8747 2044.5712 1921.9112 111.0770 -206152.6010 17765.0571 0.0000 0.0000 34154.0525 -149395.0572 298.2758 -183549.1097 -149295.3381 298.2882 -35.6145 -7.0673 556704.8370 7.6133 7.5472 PRESSURE: 677200 -81.8113 -29.7664 -127.701 -29.7675 146.485 -4.34344 -127.699 -4.34335 157.903 GPRESSURE: 677200 -13.084 -15.7134 -78.0059 -131.804 131.234 37.0682 -113.783 -77.6129 206.977 PRESSAVG: 677200 15.2204 20.1399 -3.39239 20.14 -20.8915 1.73553 -3.39244 1.73557 14.7018 GPRESSAVG: 677200 15.0608 20.3042 -6.91518 19.6785 -20.5439 -0.186619 -3.11749 0.22851 14.1702 TIMING: 677200 CPU: 2033.06, 0.00302794/step Wall: 2033.06, 0.00302794/step, 3.63588 hours remaining, 208.218750 MB of memory in use. ENERGY: 677200 761.4227 2045.4224 1934.7283 109.2065 -206231.0406 17807.6634 0.0000 0.0000 34135.7091 -149436.8882 298.1156 -183572.5973 -149350.6632 299.1536 74.1921 108.3756 556269.8271 3.0102 2.8957 PRESSURE: 677400 -82.424 -86.9313 56.5969 -86.9309 144.984 72.6008 56.5967 72.6003 64.1428 GPRESSURE: 677400 4.16716 -71.2826 75.7871 -85.9781 151.937 151.73 42.2669 -100.385 65.7465 PRESSAVG: 677400 7.83488 -28.3149 35.0987 -28.3148 -4.17641 -13.4851 35.0987 -13.4853 8.02181 GPRESSAVG: 677400 9.04933 -27.8328 35.6453 -30.1562 -3.66621 -11.6288 35.482 -12.0089 6.88562 TIMING: 677400 CPU: 2033.66, 0.00304247/step Wall: 2033.66, 0.00304247/step, 3.65316 hours remaining, 208.218750 MB of memory in use. ENERGY: 677400 730.0592 2145.1559 1937.1172 98.2860 -206528.5825 17981.6519 0.0000 0.0000 34271.1441 -149365.1682 299.2984 -183636.3123 -149271.2442 298.9277 42.2342 73.9502 555904.4282 3.8934 4.0896 PRESSURE: 677600 -184.283 -262.24 -24.3777 -262.24 -313.136 43.2676 -24.3768 43.2681 -161.85 GPRESSURE: 677600 -180.642 -243.331 23.0959 -284.764 -297.573 40.9985 0.219976 104.255 -75.6062 PRESSAVG: 677600 -17.2479 -32.1319 41.4723 -32.1319 12.2173 35.4743 41.4723 35.4744 -25.936 GPRESSAVG: 677600 -17.1022 -33.4521 41.7094 -32.2795 11.0004 37.0993 40.9059 33.779 -24.1946 TIMING: 677600 CPU: 2034.26, 0.00298711/step Wall: 2034.26, 0.00298711/step, 3.58652 hours remaining, 208.218750 MB of memory in use. ENERGY: 677600 786.4061 2099.9055 1943.9111 121.9734 -206290.2452 17759.9415 0.0000 0.0000 34084.8433 -149493.2643 297.6714 -183578.1075 -149400.6377 299.4735 -219.7563 -184.6069 557458.8229 -10.3222 -10.0988 PRESSURE: 677800 38.4125 37.9096 -173.472 37.9103 -12.4708 -108.676 -173.472 -108.677 -37.4211 GPRESSURE: 677800 100.361 -17.201 -177.979 52.5075 15.3359 -136.038 -171.694 -164.703 -22.076 PRESSAVG: 677800 44.0965 -5.82491 -35.4931 -5.82484 -63.3448 43.8921 -35.493 43.8922 11.4376 GPRESSAVG: 677800 43.0497 -6.75234 -35.4034 -4.82581 -61.7398 43.9863 -34.3932 43.218 10.9211 TIMING: 677800 CPU: 2034.86, 0.00300328/step Wall: 2034.86, 0.00300328/step, 3.60577 hours remaining, 208.218750 MB of memory in use. ENERGY: 677800 730.1839 2061.0049 1958.0911 121.4253 -206577.0949 17968.3992 0.0000 0.0000 34053.4808 -149684.5098 297.3975 -183737.9906 -149593.4593 298.7959 -3.8264 31.2069 558095.9259 -2.6036 -2.5897 PRESSURE: 678000 -134.024 26.7226 49.605 26.7232 -156.309 -89.0486 49.6043 -89.0492 -19.5084 GPRESSURE: 678000 -86.3917 26.042 64.3535 -62.9917 -61.824 -105.094 38.4165 -49.9058 -59.8313 PRESSAVG: 678000 -5.62166 25.7409 7.20877 25.7408 7.83363 0.622946 7.2088 0.623057 -8.54287 GPRESSAVG: 678000 -3.69779 27.3445 5.56045 24.3785 7.41353 0.14201 8.32099 1.47133 -9.99085 TIMING: 678000 CPU: 2035.46, 0.00298451/step Wall: 2035.46, 0.00298451/step, 3.58307 hours remaining, 208.218750 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: 678000 745.5862 2039.2908 1981.2550 117.9530 -206453.3090 17858.7935 0.0000 0.0000 34058.4848 -149651.9457 297.4412 -183710.4305 -149557.3841 298.3509 -103.2802 -69.3490 557662.8489 -2.1103 -2.0917 PRESSURE: 678200 -9.47953 -48.9549 -95.0685 -48.9547 63.3514 -28.0696 -95.0683 -28.0694 182.501 GPRESSURE: 678200 3.2173 -18.8105 0.857723 -17.0718 116.909 -16.5806 -155.653 -15.4654 222.351 PRESSAVG: 678200 -27.996 8.30666 -49.2562 8.30661 35.6676 29.8996 -49.2562 29.8995 -14.1199 GPRESSAVG: 678200 -27.6666 7.4619 -48.3638 9.1134 34.7993 28.0778 -49.4782 30.3601 -13.8834 TIMING: 678200 CPU: 2036.06, 0.00298522/step Wall: 2036.06, 0.00298522/step, 3.58376 hours remaining, 208.218750 MB of memory in use. ENERGY: 678200 757.2939 2125.9248 1943.1441 108.5102 -206800.5565 18096.7476 0.0000 0.0000 34123.5729 -149645.3630 298.0096 -183768.9359 -149556.4487 297.7730 78.7909 114.1590 557603.3556 -2.1494 -2.2502 PRESSURE: 678400 63.0483 35.1825 -71.6832 35.1838 -182.227 -3.98416 -71.6845 -3.98362 11.1468 GPRESSURE: 678400 45.029 36.1247 -30.0838 77.6034 -162.733 -68.7725 -80.1337 14.917 100.394 PRESSAVG: 678400 -53.3948 4.23298 -15.4415 4.23301 85.3759 12.8554 -15.4416 12.8554 -72.1218 GPRESSAVG: 678400 -54.0591 5.14402 -14.5291 4.92663 85.5573 16.0561 -15.3402 12.9249 -71.4276 TIMING: 678400 CPU: 2036.65, 0.00298608/step Wall: 2036.65, 0.00298608/step, 3.58463 hours remaining, 208.218750 MB of memory in use. ENERGY: 678400 748.3433 2086.6702 1935.4254 108.8780 -206621.0998 17974.1223 0.0000 0.0000 34165.1005 -149602.5601 298.3723 -183767.6606 -149513.4484 297.6498 -36.0106 -5.7701 558890.2878 -13.3802 -13.3098 PRESSURE: 678600 385.632 -13.929 -28.4848 -13.9288 96.1736 50.3746 -28.4852 50.3736 -0.701199 GPRESSURE: 678600 398.274 17.2126 8.7099 5.03839 194.526 76.4389 -86.3634 -23.0244 -4.41604 PRESSAVG: 678600 50.5294 2.5537 -48.1675 2.55379 -17.9695 67.5799 -48.1675 67.58 -11.9678 GPRESSAVG: 678600 49.9531 -0.181069 -47.0005 2.6871 -17.6673 66.0899 -49.4464 65.5163 -11.5823 TIMING: 678600 CPU: 2037.25, 0.00300043/step Wall: 2037.25, 0.00300043/step, 3.60169 hours remaining, 208.218750 MB of memory in use. ENERGY: 678600 729.0011 2074.5482 1946.6609 106.6467 -206737.2604 18128.3800 0.0000 0.0000 34293.5620 -149458.4615 299.4942 -183752.0235 -149365.2254 298.1681 160.3682 196.1283 557953.3301 6.8640 6.9011 PRESSURE: 678800 -215.166 -43.3652 -53.3388 -43.3655 -119.731 81.5667 -53.3367 81.5673 -299.238 GPRESSURE: 678800 -215.8 -135.269 -78.7714 -26.2406 -89.4503 87.3801 -23.9171 61.9443 -233.77 PRESSAVG: 678800 -33.0469 -6.4632 14.7096 -6.46325 34.9061 22.1593 14.7097 22.1594 10.1537 GPRESSAVG: 678800 -33.0473 -3.977 14.5101 -7.60991 35.3246 21.6285 14.593 22.5704 9.94379 TIMING: 678800 CPU: 2037.85, 0.00299361/step Wall: 2037.85, 0.00299361/step, 3.59333 hours remaining, 208.218750 MB of memory in use. ENERGY: 678800 788.3987 2101.5334 1947.8477 124.0161 -206160.2302 17681.2644 0.0000 0.0000 34235.6009 -149281.5690 298.9880 -183517.1699 -149187.0234 299.0577 -211.3781 -179.6733 559262.4619 4.0043 4.0737 PRESSURE: 679000 -24.4883 -15.3311 186.683 -15.3319 160.963 81.7883 186.684 81.7879 131.349 GPRESSURE: 679000 10.6623 -41.8262 240.3 15.5362 187.495 163.465 126.697 -13.4144 169.567 PRESSAVG: 679000 -53.7279 -21.5493 6.49675 -21.5493 28.9863 24.0387 6.49683 24.0386 16.0825 GPRESSAVG: 679000 -52.9285 -20.798 6.40269 -19.6999 28.9503 25.9245 6.85226 24.1699 15.1681 TIMING: 679000 CPU: 2038.46, 0.00302919/step Wall: 2038.46, 0.00302919/step, 3.63587 hours remaining, 208.218750 MB of memory in use. ENERGY: 679000 738.9585 2101.5267 1946.9192 115.1343 -206651.8237 18170.5807 0.0000 0.0000 34099.3073 -149479.3969 297.7977 -183578.7042 -149382.5363 298.3802 89.2745 122.5747 557566.5101 -2.8864 -2.9367 PRESSURE: 679200 263.617 -31.569 16.4392 -31.5682 40.7119 139.669 16.4393 139.668 -213.033 GPRESSURE: 679200 294.43 -99.4512 -8.38526 49.9713 111.751 108.037 87.5364 96.3529 -217.324 PRESSAVG: 679200 -25.7844 16.4418 19.8687 16.4419 -34.8071 36.5543 19.8687 36.5543 33.9205 GPRESSAVG: 679200 -26.338 16.8224 20.3419 15.899 -35.1536 35.6569 18.9362 34.7298 34.4658 TIMING: 679200 CPU: 2039.06, 0.00301682/step Wall: 2039.06, 0.00301682/step, 3.62085 hours remaining, 208.218750 MB of memory in use. ENERGY: 679200 765.1413 2115.8338 1968.5563 122.9225 -206584.3577 17935.2942 0.0000 0.0000 34343.9654 -149332.6443 299.9344 -183676.6097 -149240.7609 298.3238 30.4318 62.9522 557081.9980 -8.8904 -9.0086 PRESSURE: 679400 -208.634 73.429 -93.3399 73.4293 -76.7787 4.00153 -93.3386 4.00362 34.6583 GPRESSURE: 679400 -169.094 167.285 -31.48 -5.55726 -24.7018 -7.4714 -215.358 -22.1591 43.1473 PRESSAVG: 679400 27.9436 11.8168 -25.1455 11.8169 -53.5239 20.8821 -25.1455 20.8823 17.9656 GPRESSAVG: 679400 27.0417 13.1632 -24.7476 12.6311 -54.0948 21.0959 -24.2934 22.8041 19.5687 TIMING: 679400 CPU: 2039.66, 0.00300989/step Wall: 2039.66, 0.00300989/step, 3.61237 hours remaining, 208.218750 MB of memory in use. ENERGY: 679400 773.5609 2058.0798 1947.8509 119.2912 -206170.1810 17820.0216 0.0000 0.0000 34289.2416 -149162.1348 299.4565 -183451.3765 -149064.7922 299.7491 -83.5848 -50.2160 558415.6514 -2.5382 -2.4948 PRESSURE: 679600 -242.871 106.674 127.525 106.675 -297.658 214.703 127.526 214.703 -91.346 GPRESSURE: 679600 -158.095 42.0202 138.809 127.713 -313.603 120.769 29.0847 158.087 -56.9138 PRESSAVG: 679600 -42.4349 86.4712 -30.5654 86.4712 49.524 32.5077 -30.5654 32.5077 3.59651 GPRESSAVG: 679600 -41.7158 84.6989 -31.5022 86.7356 50.785 32.9338 -30.4996 33.1286 1.32041 TIMING: 679600 CPU: 2040.26, 0.00298157/step Wall: 2040.26, 0.00298157/step, 3.57822 hours remaining, 208.218750 MB of memory in use. ENERGY: 679600 790.6544 2070.8311 1936.4654 123.4647 -205761.3689 17455.9234 0.0000 0.0000 34046.2737 -149337.7562 297.3346 -183384.0299 -149246.7759 298.9056 -210.6252 -176.2041 558108.9487 3.5619 3.4632 PRESSURE: 679800 140.608 146.133 -53.1753 146.134 288.724 95.2793 -53.1745 95.2785 -48.7073 GPRESSURE: 679800 218.189 69.1804 -14.7131 146.075 337.125 18.26 -52.1736 9.8802 -78.0627 PRESSAVG: 679800 2.94181 22.5238 -29.5981 22.5238 30.3459 35.4413 -29.5981 35.4413 -6.66909 GPRESSAVG: 679800 2.12192 22.3808 -29.8387 19.5691 29.3734 35.168 -29.2496 33.2513 -5.04274 TIMING: 679800 CPU: 2040.86, 0.0030035/step Wall: 2040.86, 0.0030035/step, 3.60437 hours remaining, 208.218750 MB of memory in use. ENERGY: 679800 715.0411 2086.3647 1964.0281 117.9412 -206558.6076 17922.0975 0.0000 0.0000 34409.9500 -149343.1851 300.5107 -183753.1351 -149246.4809 298.6997 126.8747 159.0838 556003.6542 8.8729 8.8175 PRESSURE: 680000 -108.161 68.3447 -80.5411 68.3446 106.767 18.7749 -80.5409 18.7755 -159.986 GPRESSURE: 680000 -139.95 127.21 -7.79477 58.5026 188.319 66.0663 -86.9789 -13.417 -115.923 PRESSAVG: 680000 95.7372 -29.8603 -34.3024 -29.8603 -11.8769 40.5892 -34.3024 40.5892 -52.0058 GPRESSAVG: 680000 96.0525 -30.0673 -34.8812 -29.7265 -11.3521 41.6679 -34.4991 42.1426 -52.9586 TIMING: 680000 CPU: 2041.46, 0.00299317/step Wall: 2041.46, 0.00299317/step, 3.5918 hours remaining, 208.218750 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: 680000 749.8879 2061.5845 1935.7029 119.9719 -206318.4692 17802.3260 0.0000 0.0000 34092.6477 -149556.3483 297.7396 -183648.9960 -149457.6835 298.5837 -53.7932 -22.5181 557975.1013 10.6182 10.5806 PRESSURE: 680200 461.021 -169.662 83.3462 -169.662 310.362 -7.24955 83.3483 -7.24861 12.6463 GPRESSURE: 680200 488.432 -178.913 43.2464 -100.998 324.344 51.8897 28.4782 5.54684 78.5074 PRESSAVG: 680200 35.4892 9.96641 -35.5508 9.96652 11.6782 -4.56844 -35.5508 -4.56858 -41.6235 GPRESSAVG: 680200 35.6601 8.74869 -34.701 14.0173 10.4812 -6.8465 -37.8985 -5.61991 -40.5756 TIMING: 680200 CPU: 2042.06, 0.00301005/step Wall: 2042.06, 0.00301005/step, 3.61189 hours remaining, 208.218750 MB of memory in use. ENERGY: 680200 720.1377 2123.3204 1952.6861 111.7750 -207154.4658 18438.6939 0.0000 0.0000 34160.9346 -149646.9182 298.3359 -183807.8527 -149558.0919 297.8838 261.3430 297.0945 556835.7684 1.8479 1.8552 LDB: ============= START OF LOAD BALANCING ============== 2045.58 LDB: ============== END OF LOAD BALANCING =============== 2045.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2045.58 LDB: ============= START OF LOAD BALANCING ============== 2045.89 LDB: Largest compute 4794 load 0.027282 is 23.1% of average load 0.117924 LDB: Average compute 0.001723 is 1.5% of average load 0.117924 LDB: TIME 2045.89 LOAD: AVG 0.117924 MAX 0.210856 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.938 MB LDB: TIME 2045.89 LOAD: AVG 0.117924 MAX 0.210856 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.938 MB LDB: TIME 2045.89 LOAD: AVG 0.117924 MAX 0.210856 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.938 MB LDB: ============== END OF LOAD BALANCING =============== 2045.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2045.9 PRESSURE: 680400 66.4131 181.062 114.177 181.064 142.409 230.524 114.178 230.523 -263.398 GPRESSURE: 680400 139.424 160.346 42.0353 194.84 128.156 187.533 76.3684 182.269 -225.838 PRESSAVG: 680400 112.955 2.0031 -27.6555 2.00315 7.24826 37.6844 -27.6555 37.6844 -129.019 GPRESSAVG: 680400 113.527 1.78161 -28.0878 -0.244674 8.22437 37.5149 -26.741 38.5401 -130.638 TIMING: 680400 CPU: 2042.68, 0.00309191/step Wall: 2042.68, 0.00309191/step, 3.70994 hours remaining, 209.300781 MB of memory in use. ENERGY: 680400 751.5052 2069.6893 1933.1462 115.7163 -206557.2033 17876.8841 0.0000 0.0000 34199.2484 -149611.0137 298.6705 -183810.2621 -149518.3431 297.6234 -18.1921 13.9140 556898.9960 -2.9388 -2.9623 PRESSURE: 680600 -166.669 7.4897 -40.4361 7.48954 21.5534 195.048 -40.4348 195.048 -342.692 GPRESSURE: 680600 -107.762 27.6999 -68.2341 -41.0985 75.8504 136.772 -4.10893 233.104 -364.774 PRESSAVG: 680600 81.0183 13.1317 -16.3303 13.1317 -40.5971 93.3629 -16.3303 93.3629 -107.515 GPRESSAVG: 680600 81.5507 13.7743 -16.7878 9.96409 -41.9243 93.8862 -15.246 94.2535 -107.075 TIMING: 680600 CPU: 2043.29, 0.00303274/step Wall: 2043.29, 0.00303274/step, 3.63878 hours remaining, 209.503906 MB of memory in use. ENERGY: 680600 776.2655 2046.6580 1958.8384 114.1510 -207074.1900 18087.6959 0.0000 0.0000 34328.8590 -149761.7222 299.8025 -184090.5812 -149664.0683 298.5593 -162.6027 -132.2285 558359.3928 -22.3647 -22.4830 PRESSURE: 680800 0.746896 -40.9745 54.2942 -40.9737 -140.787 104.889 54.2946 104.889 -170.24 GPRESSURE: 680800 32.3739 9.92265 70.155 -51.9242 -80.1464 140.318 8.96359 109.101 -168.415 PRESSAVG: 680800 40.0234 -14.6433 8.52097 -14.6432 -37.1053 97.7592 8.52116 97.7591 5.15339 GPRESSAVG: 680800 39.2329 -14.7497 7.17583 -11.731 -37.3258 98.3645 8.97253 96.2079 5.85038 TIMING: 680800 CPU: 2043.89, 0.00302435/step Wall: 2043.89, 0.00302435/step, 3.62855 hours remaining, 209.503906 MB of memory in use. ENERGY: 680800 759.8972 2059.4273 1935.0842 124.3265 -206405.8640 17781.1501 0.0000 0.0000 34109.2859 -149636.6929 297.8849 -183745.9788 -149545.5880 298.0163 -103.4268 -72.0626 558489.9419 2.6905 2.5858 PRESSURE: 681000 -29.6912 24.2974 72.2789 24.2995 177.508 -263.992 72.279 -263.991 -90.9146 GPRESSURE: 681000 -10.783 21.665 -9.95502 -29.3871 182.759 -307.903 64.0069 -221.478 -29.6571 PRESSAVG: 681000 -1.79675 7.41062 -35.848 7.41062 -31.2373 -23.6191 -35.848 -23.6192 31.5654 GPRESSAVG: 681000 -1.79831 5.53378 -35.2206 9.75656 -31.3584 -25.8257 -36.4096 -19.9642 31.5702 TIMING: 681000 CPU: 2044.5, 0.00302815/step Wall: 2044.5, 0.00302815/step, 3.63293 hours remaining, 209.503906 MB of memory in use. ENERGY: 681000 749.3273 2115.7482 1970.2888 134.5224 -206973.4331 18045.5593 0.0000 0.0000 34200.1430 -149757.8441 298.6784 -183957.9870 -149662.4384 298.1660 18.9672 47.4397 557208.8838 -0.4895 -0.5288 PRESSURE: 681200 -174.825 -161.55 82.9094 -161.551 234.855 209.669 82.9088 209.669 -114.613 GPRESSURE: 681200 -113.324 -199.81 62.4694 -151.108 297.277 169.508 119.425 213.196 -146.83 PRESSAVG: 681200 5.49221 60.5706 -2.58928 60.5706 12.4569 -6.04917 -2.58932 -6.04913 -21.192 GPRESSAVG: 681200 4.11991 61.071 -2.41157 58.7319 13.8657 -6.14559 -1.81529 -6.49609 -21.3633 TIMING: 681200 CPU: 2045.1, 0.00300232/step Wall: 2045.1, 0.00300232/step, 3.60179 hours remaining, 209.503906 MB of memory in use. ENERGY: 681200 706.9850 2036.4398 1946.9947 107.4012 -206519.4473 17832.6095 0.0000 0.0000 33985.5882 -149903.4289 296.8046 -183889.0171 -149810.3601 296.9860 -18.1947 12.3745 557619.8080 -1.0810 -1.1259 PRESSURE: 681400 -57.7971 89.6782 4.74454 89.678 -64.9882 108.342 4.74368 108.342 -34.6894 GPRESSURE: 681400 -8.50439 105.514 80.75 24.8165 -88.3097 96.3587 -94.0787 52.7006 50.7863 PRESSAVG: 681400 49.7719 45.6014 -9.39138 45.6014 -7.58429 3.3769 -9.39135 3.37695 -5.73156 GPRESSAVG: 681400 50.5885 47.0271 -9.94159 45.8286 -8.08005 4.82548 -10.1842 1.00845 -5.48905 TIMING: 681400 CPU: 2045.7, 0.00301435/step Wall: 2045.7, 0.00301435/step, 3.61604 hours remaining, 209.503906 MB of memory in use. ENERGY: 681400 752.7089 2078.7480 1950.7557 114.9609 -206425.0834 17879.6302 0.0000 0.0000 33971.7074 -149676.5722 296.6834 -183648.2796 -149579.5687 297.5306 -52.4916 -15.3426 556906.3722 12.1520 12.3398 PRESSURE: 681600 267.625 114.888 -79.9915 114.889 -94.1136 171.336 -79.9917 171.335 -44.3784 GPRESSURE: 681600 252.351 99.0389 -140.873 190.101 -26.7794 75.2564 -77.1968 176.074 6.46119 PRESSAVG: 681600 11.6635 25.4485 -32.9041 25.4484 -28.5831 -0.685338 -32.9041 -0.685253 -13.0026 GPRESSAVG: 681600 11.0857 25.3537 -31.0525 23.8831 -27.9443 -2.00557 -32.0943 1.14969 -12.7138 TIMING: 681600 CPU: 2046.3, 0.00299628/step Wall: 2046.3, 0.00299628/step, 3.5942 hours remaining, 209.503906 MB of memory in use. ENERGY: 681600 760.2521 2093.4331 1934.1405 119.1765 -206802.8034 17905.4924 0.0000 0.0000 34380.4395 -149609.8692 300.2529 -183990.3087 -149511.4334 297.9467 43.0444 77.3442 556273.0054 -9.9741 -9.8575 PRESSURE: 681800 -53.2398 164.282 121.121 164.283 272.354 -35.7602 121.121 -35.7622 364.047 GPRESSURE: 681800 -32.6329 189.457 97.8636 155.6 240.332 3.36698 194.762 -42.7058 479.779 PRESSAVG: 681800 65.3918 12.4124 -22.4873 12.4125 -31.8807 -25.6949 -22.4872 -25.695 -38.9441 GPRESSAVG: 681800 65.0597 13.2942 -24.0091 14.0866 -32.3051 -26.5377 -22.4137 -27.0425 -38.3707 TIMING: 681800 CPU: 2046.89, 0.00297043/step Wall: 2046.89, 0.00297043/step, 3.56303 hours remaining, 209.503906 MB of memory in use. ENERGY: 681800 741.1383 2106.7953 1935.1349 109.9500 -206719.2616 18143.1900 0.0000 0.0000 34174.4278 -149508.6254 298.4538 -183683.0532 -149421.5638 297.8326 194.3870 229.1595 556359.1335 -1.8110 -1.8720 PRESSURE: 682000 270.46 -83.0509 -289.659 -83.0517 199.591 0.260646 -289.658 0.2612 155.004 GPRESSURE: 682000 343.07 6.4974 -175.294 -136.88 210.405 -10.3332 -291.864 22.4432 172.597 PRESSAVG: 682000 -19.2456 7.99723 -64.2622 7.99716 -18.0954 -41.6602 -64.2622 -41.6603 73.4264 GPRESSAVG: 682000 -16.678 6.57934 -64.0363 7.30572 -19.1904 -42.5333 -64.5916 -39.4402 71.4859 TIMING: 682000 CPU: 2047.49, 0.00297201/step Wall: 2047.49, 0.00297201/step, 3.56476 hours remaining, 209.503906 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: 682000 712.1336 2115.6055 1923.7403 116.3860 -206854.0442 18266.8671 0.0000 0.0000 34375.1978 -149344.1138 300.2072 -183719.3116 -149247.2186 298.4272 208.3519 242.0241 556278.3585 12.0285 11.8725 PRESSURE: 682200 -48.498 -157.648 7.68012 -157.648 8.08746 165.669 7.68041 165.67 -16.002 GPRESSURE: 682200 -24.4387 -184 -11.8473 -178.095 61.1222 80.4774 -51.3424 210.063 16.5957 PRESSAVG: 682200 -0.258834 -28.775 -49.5936 -28.775 -13.7978 21.2802 -49.5936 21.2802 8.77016 GPRESSAVG: 682200 -2.3913 -28.9054 -48.8842 -28.7468 -12.738 24.4554 -49.7219 18.8353 9.87639 TIMING: 682200 CPU: 2048.08, 0.00297625/step Wall: 2048.08, 0.00297625/step, 3.56968 hours remaining, 209.503906 MB of memory in use. ENERGY: 682200 765.5134 2164.1459 1927.2408 118.4016 -206421.1531 17804.9663 0.0000 0.0000 34399.5351 -149241.3501 300.4197 -183640.8852 -149149.3842 299.9065 -18.8042 17.7597 557038.8145 -1.7622 -1.7510 PRESSURE: 682400 -147.671 29.1046 110.439 29.1043 -87.265 -122.945 110.439 -122.944 19.1756 GPRESSURE: 682400 -92.6248 15.4556 165.415 -23.8391 -112.24 -138.998 34.536 -96.2332 90.9541 PRESSAVG: 682400 6.0391 56.0766 -64.3128 56.0767 -4.62055 45.6781 -64.3128 45.6783 -7.70661 GPRESSAVG: 682400 6.23576 56.0412 -62.9933 54.4336 -3.98754 46.1721 -65.1054 45.4428 -8.4264 TIMING: 682400 CPU: 2048.68, 0.00297295/step Wall: 2048.68, 0.00297295/step, 3.56556 hours remaining, 209.503906 MB of memory in use. ENERGY: 682400 757.9480 2077.1663 1945.4888 104.6209 -206495.8237 17820.5998 0.0000 0.0000 34593.4267 -149196.5733 302.1130 -183790.0000 -149100.1648 299.6070 -71.9203 -37.9702 558537.3471 -2.0960 -2.0594 PRESSURE: 682600 104.3 -19.1047 159.125 -19.1056 29.1873 -14.1974 159.126 -14.197 -66.6909 GPRESSURE: 682600 155.088 24.9815 86.6682 -62.0113 49.8701 58.7173 121.376 -115.582 -35.3932 PRESSAVG: 682600 -1.27207 20.3038 14.2797 20.3037 6.20339 -2.49368 14.2797 -2.49358 25.662 GPRESSAVG: 682600 -2.14528 22.2172 10.357 19.0629 5.20083 -4.09657 15.1951 -2.05872 27.1454 TIMING: 682600 CPU: 2049.27, 0.00298437/step Wall: 2049.27, 0.00298437/step, 3.57909 hours remaining, 209.503906 MB of memory in use. ENERGY: 682600 736.2182 2096.9123 1927.9237 107.4010 -206488.3500 17932.4352 0.0000 0.0000 34360.0821 -149327.3774 300.0751 -183687.4596 -149231.8461 299.7585 22.2656 56.5216 557413.0191 10.1978 10.0670 PRESSURE: 682800 -158.358 96.9111 -19.5809 96.9123 241.282 82.416 -19.5814 82.4157 -255.292 GPRESSURE: 682800 -158.333 34.7173 36.4556 74.9715 260.734 96.1637 48.7712 80.0743 -185.493 PRESSAVG: 682800 -18.3155 2.62246 14.9737 2.62255 46.4692 4.52839 14.9737 4.52847 -0.355175 GPRESSAVG: 682800 -17.9161 1.66961 17.0706 3.49818 46.5258 5.45511 14.8373 4.35907 -0.970437 TIMING: 682800 CPU: 2049.87, 0.00298763/step Wall: 2049.87, 0.00298763/step, 3.58283 hours remaining, 209.503906 MB of memory in use. ENERGY: 682800 747.7947 2134.1116 1922.4115 110.2782 -206322.4029 17756.6958 0.0000 0.0000 34338.0552 -149313.0560 299.8828 -183651.1112 -149216.7386 299.6970 -57.4563 -27.6975 558314.2540 9.2662 9.2131 PRESSURE: 683000 -2.47297 -221.888 -93.085 -221.888 -157.819 72.6468 -93.0843 72.6472 -261.339 GPRESSURE: 683000 -14.6937 -186.646 -163.703 -186.951 -70.3506 146.024 -22.4034 -14.5101 -232.589 PRESSAVG: 683000 47.8138 -5.05868 44.4299 -5.05864 -50.1003 -26.7333 44.4299 -26.7333 -10.2275 GPRESSAVG: 683000 48.0526 -4.88622 44.4018 -3.34721 -49.4035 -29.119 44.7762 -26.2424 -11.8392 TIMING: 683000 CPU: 2050.46, 0.00296654/step Wall: 2050.46, 0.00296654/step, 3.55738 hours remaining, 209.503906 MB of memory in use. ENERGY: 683000 731.9542 2072.6736 1938.3943 106.5362 -205720.6423 17538.4721 0.0000 0.0000 34012.2430 -149320.3688 297.0374 -183332.6118 -149221.8175 299.4427 -140.5438 -105.8777 558034.4947 -4.1714 -4.3967 PRESSURE: 683200 -9.49068 -48.9418 25.4384 -48.9407 74.5303 96.4394 25.4398 96.4407 24.2465 GPRESSURE: 683200 23.7527 -33.7028 -25.1034 -100.773 72.4787 86.0604 31.3329 127.883 97.5149 PRESSAVG: 683200 28.0846 -5.80995 14.4517 -5.80991 -33.4272 -21.7693 14.4516 -21.7693 -29.9913 GPRESSAVG: 683200 29.195 -5.72194 14.5687 -5.00361 -35.5044 -20.3304 13.3241 -22.1455 -28.8859 TIMING: 683200 CPU: 2051.06, 0.0029816/step Wall: 2051.06, 0.0029816/step, 3.57527 hours remaining, 209.503906 MB of memory in use. ENERGY: 683200 743.2324 2019.2535 1935.7594 110.9594 -206434.5815 17871.6880 0.0000 0.0000 34364.5208 -149389.1680 300.1139 -183753.6888 -149287.2011 299.8014 29.7620 64.5821 556528.3193 -11.7780 -11.7318 PRESSURE: 683400 -200.584 -363.299 11.9389 -363.298 -178.499 7.2145 11.9392 7.21334 -189.15 GPRESSURE: 683400 -188.343 -327.436 -40.9243 -301.117 -129.401 7.50978 21.2099 37.8376 -151.794 PRESSAVG: 683400 22.8663 -20.5327 14.7351 -20.5328 -43.1012 33.7344 14.735 33.7343 -1.08085 GPRESSAVG: 683400 20.9949 -18.5175 12.4135 -21.9656 -40.6432 33.6733 16.6187 34.42 -1.49443 TIMING: 683400 CPU: 2051.66, 0.00300056/step Wall: 2051.66, 0.00300056/step, 3.59784 hours remaining, 209.503906 MB of memory in use. ENERGY: 683400 757.3449 2104.1567 1954.9999 108.2538 -205769.1355 17363.1372 0.0000 0.0000 34005.5527 -149475.6901 296.9789 -183481.2429 -149383.4975 299.2034 -189.4111 -156.5130 556485.6223 -7.1052 -7.0476 PRESSURE: 683600 86.6854 -15.645 -77.5039 -15.6449 74.3013 -93.2933 -77.5022 -93.2914 -193.414 GPRESSURE: 683600 110.084 -22.8836 -164.712 21.3873 130.675 -14.4629 19.4241 -128.431 -182.226 PRESSAVG: 683600 -21.3642 10.2052 -39.408 10.2052 13.2183 23.6059 -39.4081 23.606 -20.5395 GPRESSAVG: 683600 -21.9777 5.03572 -37.3779 13.0677 12.407 24.906 -39.1847 21.2918 -19.5549 TIMING: 683600 CPU: 2052.26, 0.00299742/step Wall: 2052.26, 0.00299742/step, 3.5939 hours remaining, 209.503906 MB of memory in use. ENERGY: 683600 763.8119 2091.6974 1939.9744 125.5109 -206795.3417 18034.9961 0.0000 0.0000 34353.3847 -149485.9662 300.0167 -183839.3509 -149391.1646 299.2005 -10.8091 19.5110 556318.0084 -9.5618 -9.7085 PRESSURE: 683800 13.1924 99.2186 151.407 99.2191 239.536 -37.9738 151.407 -37.9739 -182.237 GPRESSURE: 683800 21.015 1.73748 125.003 192.683 213.965 -139.269 125.214 -30.2657 -76.6624 PRESSAVG: 683800 -18.6055 -21.1776 -0.584381 -21.1775 62.7838 -32.4609 -0.584359 -32.461 -28.3349 GPRESSAVG: 683800 -16.8489 -17.8498 -1.49194 -24.0216 62.3613 -33.1099 0.216779 -32.7981 -29.4188 TIMING: 683800 CPU: 2052.86, 0.0029779/step Wall: 2052.86, 0.0029779/step, 3.57033 hours remaining, 209.503906 MB of memory in use. ENERGY: 683800 743.0259 2130.0713 1947.5048 111.7015 -206482.9181 17899.5780 0.0000 0.0000 34324.1061 -149326.9306 299.7610 -183651.0367 -149224.4555 299.5889 23.4974 52.7724 556668.3027 5.2812 5.3645 PRESSURE: 684000 -108.135 18.8986 -113.357 18.8981 116.586 -80.676 -113.356 -80.6749 -35.0021 GPRESSURE: 684000 -114.254 84.3453 -38.1625 -8.3665 125.508 -39.0621 -194.081 -143.211 65.5306 PRESSAVG: 684000 26.968 19.785 -14.3585 19.7849 -0.156966 -46.4122 -14.3584 -46.4123 -27.7815 GPRESSAVG: 684000 27.3073 21.7684 -10.4047 18.935 0.399803 -46.5853 -15.1227 -45.0882 -28.6539 TIMING: 684000 CPU: 2053.45, 0.00297414/step Wall: 2053.45, 0.00297414/step, 3.56567 hours remaining, 209.503906 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: 684000 744.3943 2066.3530 1933.4452 115.7807 -206160.9656 17662.9418 0.0000 0.0000 34361.8320 -149276.2185 300.0904 -183638.0506 -149185.3827 299.5966 -8.8505 25.5951 557155.1059 -0.3235 -0.3156 PRESSURE: 684200 206.991 -103.628 35.7188 -103.627 -84.4786 105.8 35.7194 105.8 68.7424 GPRESSURE: 684200 265.832 -113.677 -14.5178 -119.608 -29.3276 -29.2013 50.6261 153.452 66.0925 PRESSAVG: 684200 31.1293 -20.0698 10.6192 -20.0699 13.1785 -35.733 10.6192 -35.733 -63.7574 GPRESSAVG: 684200 30.0629 -22.0881 8.04152 -17.837 12.7927 -36.8189 11.0936 -36.0956 -63.102 TIMING: 684200 CPU: 2054.05, 0.00300027/step Wall: 2054.05, 0.00300027/step, 3.59683 hours remaining, 209.503906 MB of memory in use. ENERGY: 684200 735.7759 2092.6338 1929.6876 112.4044 -206411.8909 17995.2234 0.0000 0.0000 34132.3246 -149413.8412 298.0861 -183546.1657 -149312.5205 299.0233 63.7516 100.8656 557839.2709 -6.4832 -6.7488 LDB: ============= START OF LOAD BALANCING ============== 2057.57 LDB: ============== END OF LOAD BALANCING =============== 2057.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2057.57 LDB: ============= START OF LOAD BALANCING ============== 2057.87 LDB: Largest compute 4794 load 0.026226 is 22.2% of average load 0.117874 LDB: Average compute 0.001727 is 1.5% of average load 0.117874 LDB: TIME 2057.87 LOAD: AVG 0.117874 MAX 0.207856 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.059 MB LDB: TIME 2057.87 LOAD: AVG 0.117874 MAX 0.207856 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.059 MB LDB: TIME 2057.87 LOAD: AVG 0.117874 MAX 0.207856 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.059 MB LDB: ============== END OF LOAD BALANCING =============== 2057.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2057.88 PRESSURE: 684400 -156.994 125.359 84.0385 125.359 -444.553 19.2206 84.0399 19.2212 -3.83379 GPRESSURE: 684400 -105.57 149.268 150.287 113.243 -384.095 27.8623 64.8077 71.7362 -12.5362 PRESSAVG: 684400 -8.83046 -10.5201 -39.1577 -10.5202 30.9917 23.2601 -39.1576 23.2602 -19.7111 GPRESSAVG: 684400 -8.05915 -12.0807 -40.1269 -12.2809 29.9039 25.7808 -40.2566 23.1147 -19.528 TIMING: 684400 CPU: 2054.66, 0.00305713/step Wall: 2054.66, 0.00305713/step, 3.66482 hours remaining, 208.527344 MB of memory in use. ENERGY: 684400 752.9034 2040.6586 1970.8051 107.7558 -206133.5231 17563.8457 0.0000 0.0000 34213.4416 -149484.1128 298.7945 -183697.5544 -149383.2276 298.4614 -201.7936 -167.4004 557566.6943 0.8167 0.7722 PRESSURE: 684600 -133.67 -17.5214 -1.35067 -17.5219 -272.168 61.0919 -1.34868 61.0899 -154.189 GPRESSURE: 684600 -138.92 66.3201 -19.3217 92.5051 -196.939 44.3796 -61.9613 9.42472 -136.969 PRESSAVG: 684600 63.8027 -33.0221 -32.4964 -33.0221 -8.85649 0.861397 -32.4965 0.861409 -27.8341 GPRESSAVG: 684600 63.985 -32.8932 -31.3548 -30.6307 -8.27548 -1.37235 -33.141 2.49904 -28.1632 TIMING: 684600 CPU: 2055.26, 0.0029744/step Wall: 2055.26, 0.0029744/step, 3.56548 hours remaining, 208.730469 MB of memory in use. ENERGY: 684600 708.2837 2166.7337 1961.7239 121.5776 -206129.1124 17638.5046 0.0000 0.0000 34111.2623 -149421.0264 297.9021 -183532.2888 -149323.9853 298.6494 -186.6755 -157.6092 558154.3084 9.0374 9.1821 PRESSURE: 684800 -235.004 32.4688 0.977116 32.4684 33.781 163.46 0.976834 163.46 -3.5736 GPRESSURE: 684800 -235.193 5.85167 -7.46716 50.2296 86.6802 133.621 -62.9842 126.497 35.1368 PRESSAVG: 684800 -36.9689 -34.3778 18.8174 -34.3778 57.2783 5.51326 18.8174 5.51327 -61.3435 GPRESSAVG: 684800 -37.2563 -32.1075 20.8725 -35.9521 57.2299 8.0174 17.9424 4.6273 -60.8558 TIMING: 684800 CPU: 2055.85, 0.00298481/step Wall: 2055.85, 0.00298481/step, 3.57779 hours remaining, 208.730469 MB of memory in use. ENERGY: 684800 752.0351 2118.7843 1937.4582 126.7332 -206376.6690 17695.5916 0.0000 0.0000 34231.9385 -149514.1282 298.9560 -183746.0667 -149420.7942 298.6173 -68.2655 -37.7921 558088.6490 -13.6780 -13.6274 PRESSURE: 685000 79.4277 87.033 -41.5171 87.0333 25.2497 117.86 -41.516 117.86 -153.464 GPRESSURE: 685000 145.567 107.765 -65.6643 83.1143 43.7778 66.7431 33.1988 139.476 -121.217 PRESSAVG: 685000 55.678 -24.3218 -14.1858 -24.3216 -27.6338 43.6293 -14.1858 43.6293 -29.9722 GPRESSAVG: 685000 55.8218 -26.2676 -14.4261 -23.5924 -27.4124 41.9314 -13.4045 43.1967 -29.9516 TIMING: 685000 CPU: 2056.45, 0.00298224/step Wall: 2056.45, 0.00298224/step, 3.57455 hours remaining, 208.730469 MB of memory in use. ENERGY: 685000 760.1677 2119.6643 1937.9665 129.4005 -206654.4099 18008.5063 0.0000 0.0000 34397.3577 -149301.3469 300.4007 -183698.7046 -149200.0312 298.6916 -16.2624 22.7093 557517.3576 -0.6427 -0.5141 PRESSURE: 685200 -197.601 -139.026 144.933 -139.027 -9.34485 -1.28582 144.933 -1.28466 -197.914 GPRESSURE: 685200 -111.815 -179.72 184.48 -95.7515 9.6047 79.6358 162.276 -73.1863 -209.375 PRESSAVG: 685200 22.7241 -17.212 -17.6939 -17.212 12.1897 27.177 -17.6939 27.1771 -6.84076 GPRESSAVG: 685200 22.9844 -16.7994 -18.5363 -20.0865 12.4248 25.2338 -17.4902 29.5012 -7.77354 TIMING: 685200 CPU: 2057.05, 0.00297834/step Wall: 2057.05, 0.00297834/step, 3.5697 hours remaining, 208.730469 MB of memory in use. ENERGY: 685200 772.4964 2158.6830 1941.5253 110.6247 -206446.0556 17804.1302 0.0000 0.0000 34248.6384 -149409.9575 299.1019 -183658.5959 -149319.3342 298.6480 -134.9531 -103.8617 557856.5722 9.3577 9.2119 PRESSURE: 685400 97.0917 -74.8177 -190.035 -74.8176 -4.07635 188.8 -190.034 188.802 192.572 GPRESSURE: 685400 124.924 -45.8702 -167.232 -50.7685 68.5226 231.874 -149.949 144.253 180.478 PRESSAVG: 685400 1.42212 -3.18577 -26.3568 -3.18571 20.3897 -20.9517 -26.3569 -20.9516 -51.7098 GPRESSAVG: 685400 0.953586 -4.37517 -25.9362 -1.23702 19.4306 -19.089 -26.9302 -23.678 -50.3166 TIMING: 685400 CPU: 2057.64, 0.00298372/step Wall: 2057.64, 0.00298372/step, 3.57599 hours remaining, 208.730469 MB of memory in use. ENERGY: 685400 727.0703 2172.7473 1915.0034 105.5186 -206288.0502 17787.7994 0.0000 0.0000 34235.6888 -149344.2222 298.9888 -183579.9111 -149238.6964 298.8875 95.1958 124.6413 555772.9728 -9.9660 -9.9775 PRESSURE: 685600 -161.347 -43.2613 75.6882 -43.2638 -247.055 -124.869 75.6884 -124.87 -166.708 GPRESSURE: 685600 -201.337 -56.3816 64.2317 -54.2426 -162.072 -114.816 79.3175 -114.785 -120.819 PRESSAVG: 685600 -10.7876 -16.8095 -5.04153 -16.8095 11.3599 -54.0876 -5.04143 -54.0875 -8.96232 GPRESSAVG: 685600 -11.4383 -16.6085 -7.14872 -16.9105 13.4605 -55.4257 -2.79276 -52.5914 -10.1529 TIMING: 685600 CPU: 2058.24, 0.00299326/step Wall: 2058.24, 0.00299326/step, 3.58726 hours remaining, 208.730469 MB of memory in use. ENERGY: 685600 784.4623 2122.8701 1945.4780 109.8461 -206161.9534 17601.1190 0.0000 0.0000 34192.7115 -149405.4665 298.6135 -183598.1779 -149318.0208 299.6934 -191.7034 -161.4094 558213.7070 -2.7967 -2.7102 PRESSURE: 685800 -216.083 -124.551 -15.1776 -124.551 26.1683 -75.9119 -15.1769 -75.9131 -150.931 GPRESSURE: 685800 -148.076 -30.3645 -36.5715 -132.645 25.0799 -25.5277 54.5291 10.6547 -113.252 PRESSAVG: 685800 -1.91665 -53.6885 28.0257 -53.6885 14.7233 -18.2527 28.0258 -18.2528 21.184 GPRESSAVG: 685800 -2.16624 -53.3913 29.8456 -54.481 14.37 -16.2279 26.5341 -18.1608 21.0244 TIMING: 685800 CPU: 2058.84, 0.00299948/step Wall: 2058.84, 0.00299948/step, 3.59455 hours remaining, 208.730469 MB of memory in use. ENERGY: 685800 732.9217 2120.5735 1953.9417 116.2381 -206312.6694 17645.9614 0.0000 0.0000 34292.6872 -149450.3458 299.4866 -183743.0330 -149352.5380 299.4297 -113.6151 -78.7495 556730.7854 11.3302 11.0761 PRESSURE: 686000 116.317 -7.81496 -82.3515 -7.81562 -283.646 8.10067 -82.3516 8.09965 -122.563 GPRESSURE: 686000 114.218 -13.0896 -125.094 136.881 -198.225 -50.1845 -67.8854 -38.5228 -98.6065 PRESSAVG: 686000 22.0684 -30.269 -30.9048 -30.269 -57.3959 25.1918 -30.9048 25.1918 39.6901 GPRESSAVG: 686000 22.7117 -30.2422 -32.0198 -28.5685 -57.2491 22.1414 -30.3199 25.2997 39.0733 TIMING: 686000 CPU: 2059.44, 0.00298309/step Wall: 2059.44, 0.00298309/step, 3.57474 hours remaining, 208.730469 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: 686000 760.5227 2123.5536 1930.5514 104.9069 -206584.5917 17905.0904 0.0000 0.0000 34077.5501 -149682.4166 297.6077 -183759.9667 -149589.8815 298.1536 -96.6305 -60.8714 557284.8518 1.4542 1.5120 PRESSURE: 686200 -70.9675 -206.097 48.4281 -206.096 -280.297 47.1119 48.4295 47.1119 -379.878 GPRESSURE: 686200 -61.739 -266.661 72.9375 -236.981 -247.709 -23.0945 105.228 56.7044 -321.505 PRESSAVG: 686200 79.864 -29.4639 -71.688 -29.4639 -40.4885 -23.8003 -71.6881 -23.8004 -44.2732 GPRESSAVG: 686200 78.6482 -30.544 -69.4908 -31.4166 -41.7797 -21.4292 -72.0984 -24.2893 -41.9201 TIMING: 686200 CPU: 2060.04, 0.00298904/step Wall: 2060.04, 0.00298904/step, 3.5817 hours remaining, 208.730469 MB of memory in use. ENERGY: 686200 774.9344 2112.5406 1939.0943 105.1879 -206147.4214 17502.0397 0.0000 0.0000 34139.9823 -149573.6422 298.1530 -183713.6245 -149485.4373 298.4035 -243.7142 -210.3176 557093.1293 -1.6326 -1.6839 PRESSURE: 686400 -41.888 32.3697 -40.1007 32.3687 -282.454 65.3225 -40.1001 65.3223 -78.9695 GPRESSURE: 686400 -57.2727 -50.7798 -58.1427 76.5414 -237.094 96.4552 43.1081 29.6495 0.406023 PRESSAVG: 686400 -0.582251 -18.7425 4.3182 -18.7425 -31.1209 15.9238 4.31817 15.9237 3.3936 GPRESSAVG: 686400 1.50613 -17.7124 1.6116 -18.5577 -32.2012 15.6565 5.67956 16.1919 2.58031 TIMING: 686400 CPU: 2060.64, 0.00299602/step Wall: 2060.64, 0.00299602/step, 3.5899 hours remaining, 208.730469 MB of memory in use. ENERGY: 686400 774.0754 2128.0943 1927.5067 120.9006 -206313.1657 17585.2504 0.0000 0.0000 34403.5801 -149373.7582 300.4550 -183777.3383 -149279.6385 299.8116 -134.4371 -97.9869 556234.9752 -9.4365 -9.3716 PRESSURE: 686600 197.555 -9.19332 -13.6465 -9.1948 251.991 -107.719 -13.6468 -107.719 -176.272 GPRESSURE: 686600 163.977 0.580842 27.8509 -38.0319 342.739 -171.933 -31.1982 -104.918 -138.77 PRESSAVG: 686600 -25.711 5.62588 -5.11434 5.62597 45.6967 9.68262 -5.11438 9.68255 13.0776 GPRESSAVG: 686600 -27.6923 6.78774 -5.46982 5.50607 47.0513 9.18303 -3.95835 9.69123 13.1172 TIMING: 686600 CPU: 2061.24, 0.00301293/step Wall: 2061.24, 0.00301293/step, 3.60999 hours remaining, 208.730469 MB of memory in use. ENERGY: 686600 764.1670 2105.6804 1978.7180 128.3984 -206283.2501 17927.4704 0.0000 0.0000 33949.3217 -149429.4942 296.4879 -183378.8159 -149337.7631 299.4759 91.0913 122.6490 556858.0821 11.0211 10.8254 PRESSURE: 686800 -163.444 54.9387 74.8165 54.938 421.069 -64.1365 74.8178 -64.1375 80.998 GPRESSURE: 686800 -147.247 60.9003 135.98 12.3325 479.765 -85.0207 118.732 -60.5348 116.244 PRESSAVG: 686800 -58.3543 -0.777052 -20.1194 -0.777137 54.8911 1.24947 -20.1193 1.24952 10.2661 GPRESSAVG: 686800 -57.8254 -3.49411 -18.5705 -0.916937 54.3897 2.55046 -21.6175 -0.0484293 10.6092 TIMING: 686800 CPU: 2061.84, 0.00301846/step Wall: 2061.84, 0.00301846/step, 3.61645 hours remaining, 208.730469 MB of memory in use. ENERGY: 686800 758.0830 2105.5999 1937.7761 117.1565 -206363.5152 18050.9235 0.0000 0.0000 34133.1209 -149260.8553 298.0930 -183393.9762 -149167.7073 298.7383 112.8744 149.5874 557407.6590 2.2676 2.3912 PRESSURE: 687000 -118.278 147.991 8.63553 147.99 1.54985 -45.0916 8.63467 -45.0917 -201.85 GPRESSURE: 687000 -103.938 112.487 67.4312 175.195 33.2219 -13.8823 3.40652 -64.5411 -152.858 PRESSAVG: 687000 -14.0784 -40.4349 -4.11397 -40.435 2.24361 3.25437 -4.11394 3.25439 -25.5386 GPRESSAVG: 687000 -13.6835 -38.3908 -4.17771 -38.6322 2.12847 3.7116 -4.09925 3.51172 -25.56 TIMING: 687000 CPU: 2062.44, 0.00298991/step Wall: 2062.44, 0.00298991/step, 3.58207 hours remaining, 208.730469 MB of memory in use. ENERGY: 687000 738.2703 2141.3343 1964.8575 124.0870 -206364.1611 17800.9455 0.0000 0.0000 34189.3559 -149405.3106 298.5841 -183594.6666 -149302.9984 298.7426 -106.1925 -74.5246 556775.3389 -12.4578 -12.3717 PRESSURE: 687200 -10.2558 35.2209 175.602 35.2209 -270.799 -9.01054 175.601 -9.01168 73.8415 GPRESSURE: 687200 0.870122 42.0649 147.344 -36.523 -204.087 -78.4191 190.331 -48.8987 100.359 PRESSAVG: 687200 97.3257 33.147 86.6684 33.1471 -9.28679 -24.5862 86.6684 -24.5863 -65.7674 GPRESSAVG: 687200 97.9191 32.1032 85.6035 31.2268 -10.3563 -26.3845 86.3209 -25.9375 -65.1453 TIMING: 687200 CPU: 2063.04, 0.00301738/step Wall: 2063.04, 0.00301738/step, 3.61482 hours remaining, 208.730469 MB of memory in use. ENERGY: 687200 740.0310 2121.0722 1922.6789 107.9320 -206369.6558 17735.4050 0.0000 0.0000 34398.3282 -149344.2085 300.4092 -183742.5367 -149249.9011 299.4063 -69.0711 -34.2858 554903.9755 7.4238 7.4725 PRESSURE: 687400 61.6192 165.264 55.2362 165.264 34.869 -137.747 55.2363 -137.747 -177.615 GPRESSURE: 687400 54.0325 133.042 64.485 176.562 81.3818 -38.1653 8.42955 -183.868 -110.037 PRESSAVG: 687400 75.3226 31.9552 20.2223 31.9552 -26.4802 -25.394 20.2224 -25.3939 -74.5474 GPRESSAVG: 687400 74.7847 32.1775 22.6838 31.4221 -26.1167 -25.419 19.2483 -24.3753 -74.493 TIMING: 687400 CPU: 2063.64, 0.00298965/step Wall: 2063.64, 0.00298965/step, 3.58143 hours remaining, 208.730469 MB of memory in use. ENERGY: 687400 779.4776 2119.7085 1939.6564 103.6476 -206282.5635 17864.7151 0.0000 0.0000 34038.1316 -149437.2268 297.2635 -183475.3584 -149344.3147 299.9806 -27.0423 8.4592 557416.0918 -8.5683 -8.6083 PRESSURE: 687600 -0.342037 -45.1626 -37.8711 -45.1637 -79.3691 73.7636 -37.8699 73.7645 264.489 GPRESSURE: 687600 69.268 -45.4484 -81.189 -97.7549 -50.6485 -81.7122 -59.9873 135.626 280.977 PRESSAVG: 687600 38.3924 -14.304 17.7231 -14.3039 12.3966 14.2632 17.7231 14.2633 -43.4554 GPRESSAVG: 687600 37.8114 -13.9718 17.674 -15.2826 13.6586 12.2507 17.0985 17.2377 -43.8749 TIMING: 687600 CPU: 2064.24, 0.00299701/step Wall: 2064.24, 0.00299701/step, 3.59009 hours remaining, 208.730469 MB of memory in use. ENERGY: 687600 737.9737 2065.7255 1938.0105 107.8924 -206592.7278 17950.9521 0.0000 0.0000 34410.2815 -149381.8920 300.5135 -183792.1735 -149274.2573 298.7867 61.5928 99.8657 556616.5252 2.4445 2.5317 PRESSURE: 687800 354.36 109.285 -90.8492 109.285 161.642 110.964 -90.8495 110.963 -125.28 GPRESSURE: 687800 387.559 72.4919 -109.594 174.339 142.528 48.2646 -33.8568 141.377 -48.5252 PRESSAVG: 687800 -17.2351 -19.8849 -30.4009 -19.8848 7.49317 33.7282 -30.4008 33.7282 55.6691 GPRESSAVG: 687800 -17.2278 -20.1805 -31.8261 -17.6281 7.04581 34.1565 -29.2414 33.8955 56.0602 TIMING: 687800 CPU: 2064.85, 0.00302315/step Wall: 2064.85, 0.00302315/step, 3.62123 hours remaining, 208.730469 MB of memory in use. ENERGY: 687800 806.6490 2040.5495 1924.8574 120.6773 -206777.5397 18211.9584 0.0000 0.0000 34224.9310 -149447.9171 298.8948 -183672.8481 -149354.4033 298.4589 130.2406 160.5203 557306.5326 15.3091 15.2927 PRESSURE: 688000 -295.923 61.6457 63.609 61.646 -297.442 372.187 63.609 372.187 17.016 GPRESSURE: 688000 -203.002 72.0699 -26.9416 56.3899 -286.473 321.358 66.81 322.106 7.7637 PRESSAVG: 688000 -18.0505 -3.32445 62.0469 -3.32448 46.4688 28.2725 62.0469 28.2725 2.5086 GPRESSAVG: 688000 -17.597 -4.64396 62.6346 -2.08071 45.2864 29.7501 61.3387 25.8876 3.33065 TIMING: 688000 CPU: 2065.45, 0.00302792/step Wall: 2065.45, 0.00302792/step, 3.62678 hours remaining, 208.730469 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: 688000 729.9378 2117.0302 1925.8206 106.7580 -205935.3799 17594.4215 0.0000 0.0000 33934.1729 -149527.2390 296.3556 -183461.4119 -149433.7649 297.9877 -192.1163 -160.5703 558154.1058 10.3089 10.3400 PRESSURE: 688200 172.149 -99.2573 -9.19797 -99.2568 -7.32158 -97.7041 -9.19776 -97.7052 -97.2353 GPRESSURE: 688200 169.606 -69.9065 -14.667 -142.238 14.9376 -55.6042 -46.6598 -77.214 -13.5644 PRESSAVG: 688200 9.28039 5.31825 -22.8244 5.31822 30.0641 33.0752 -22.8244 33.0753 -57.9523 GPRESSAVG: 688200 8.99646 6.07911 -22.7832 1.43168 31.4598 33.7429 -21.0545 32.5478 -59.0898 TIMING: 688200 CPU: 2066.05, 0.00301179/step Wall: 2066.05, 0.00301179/step, 3.60729 hours remaining, 208.730469 MB of memory in use. ENERGY: 688200 738.9789 2056.2868 1931.0056 106.8435 -206003.8707 17663.1019 0.0000 0.0000 33882.6496 -149625.0043 295.9056 -183507.6539 -149527.4219 298.1296 22.5307 56.9931 555989.8265 -6.2026 -6.2112 LDB: ============= START OF LOAD BALANCING ============== 2069.57 LDB: ============== END OF LOAD BALANCING =============== 2069.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2069.58 LDB: ============= START OF LOAD BALANCING ============== 2069.88 LDB: Largest compute 4794 load 0.026310 is 22.3% of average load 0.117991 LDB: Average compute 0.001726 is 1.5% of average load 0.117991 LDB: TIME 2069.88 LOAD: AVG 0.117991 MAX 0.211363 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.277 MB LDB: TIME 2069.88 LOAD: AVG 0.117991 MAX 0.211363 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.348 MB LDB: TIME 2069.88 LOAD: AVG 0.117991 MAX 0.211363 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.348 MB LDB: ============== END OF LOAD BALANCING =============== 2069.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2069.89 PRESSURE: 688400 17.6452 59.2454 -30.5194 59.2445 23.638 265.809 -30.5194 265.81 -52.756 GPRESSURE: 688400 51.6603 169.71 -28.7029 57.0827 55.3542 225.68 -45.6377 203.208 -26.982 PRESSAVG: 688400 27.9901 27.6005 -25.8408 27.6005 34.3694 27.6226 -25.8408 27.6226 29.8978 GPRESSAVG: 688400 27.9594 27.3397 -25.9846 30.1429 33.9209 25.2986 -27.3726 27.7044 30.1306 TIMING: 688400 CPU: 2066.67, 0.00308518/step Wall: 2066.67, 0.00308518/step, 3.69502 hours remaining, 208.289062 MB of memory in use. ENERGY: 688400 715.1482 2135.4888 1926.1252 106.6517 -206338.2784 17777.2806 0.0000 0.0000 34214.3621 -149463.2218 298.8025 -183677.5839 -149374.6602 299.1764 -3.8243 26.6775 554743.5743 30.7524 30.6703 PRESSURE: 688600 -187.531 -85.694 149.945 -85.6947 146.857 -68.8671 149.946 -68.8661 -115.49 GPRESSURE: 688600 -125.227 -89.0233 192.539 -59.294 173.85 -50.7206 100.244 -51.7982 -97.7451 PRESSAVG: 688600 -23.4259 -14.8677 57.8342 -14.8678 -19.6937 2.69267 57.8342 2.69264 29.3649 GPRESSAVG: 688600 -23.476 -13.8712 59.0968 -14.5096 -20.7341 3.68833 57.0813 4.09222 29.6634 TIMING: 688600 CPU: 2067.27, 0.00301661/step Wall: 2067.27, 0.00301661/step, 3.61272 hours remaining, 208.359375 MB of memory in use. ENERGY: 688600 734.1300 2071.3558 1910.9954 114.8887 -206304.8856 17638.4413 0.0000 0.0000 34445.3558 -149389.7185 300.8199 -183835.0743 -149288.8722 299.2823 -52.0547 -16.3739 555928.6332 -4.5849 -4.8489 PRESSURE: 688800 43.7264 -60.385 -8.99539 -60.3854 -15.6145 111.676 -8.9959 111.675 -4.16653 GPRESSURE: 688800 110.473 -50.1234 -20.7433 -57.8105 -2.82335 42.7027 -94.5996 143.622 4.33927 PRESSAVG: 688800 -8.21375 -51.2646 38.2713 -51.2645 53.1636 -18.3178 38.2712 -18.3179 -35.0853 GPRESSAVG: 688800 -8.00107 -50.0883 35.67 -53.0488 53.5655 -17.5301 40.1964 -20.9474 -35.784 TIMING: 688800 CPU: 2067.87, 0.00297214/step Wall: 2067.87, 0.00297214/step, 3.55931 hours remaining, 208.359375 MB of memory in use. ENERGY: 688800 724.7686 2105.5954 1946.6989 127.8038 -206144.3104 17741.9162 0.0000 0.0000 34145.5093 -149352.0183 298.2012 -183497.5276 -149250.3531 299.1702 7.9818 37.3298 555940.8198 3.2882 3.2601 PRESSURE: 689000 -21.5779 -13.807 83.2871 -13.8077 123.576 -83.1621 83.2865 -83.1614 18.0736 GPRESSURE: 689000 11.8358 46.8021 90.8211 -13.5932 138.843 -132.62 114.322 -89.1435 47.804 PRESSAVG: 689000 33.8091 -39.9668 -23.8528 -39.9668 -14.3238 49.2233 -23.8528 49.2232 36.7737 GPRESSAVG: 689000 33.9999 -40.5254 -21.1308 -39.9604 -14.7546 46.7898 -25.7187 51.7577 36.3534 TIMING: 689000 CPU: 2068.46, 0.00296477/step Wall: 2068.46, 0.00296477/step, 3.55032 hours remaining, 208.359375 MB of memory in use. ENERGY: 689000 759.0100 2116.3796 1946.0748 118.2227 -206005.2346 17832.5864 0.0000 0.0000 34091.7764 -149141.1847 297.7320 -183232.9611 -149041.0639 299.6551 40.0240 66.1610 557706.1396 18.7530 18.5329 PRESSURE: 689200 -44.7861 -286.198 130.808 -286.199 -83.2498 85.6594 130.808 85.6581 306.696 GPRESSURE: 689200 -30.1403 -350.841 109.1 -323.9 5.59445 111.55 169.277 104.29 305.864 PRESSAVG: 689200 -49.5333 -8.20853 -9.725 -8.20855 26.2693 54.2582 -9.72495 54.2581 13.08 GPRESSAVG: 689200 -50.0222 -8.34891 -11.8183 -9.70899 25.7602 55.5509 -7.89397 54.2215 13.7029 TIMING: 689200 CPU: 2069.06, 0.0030012/step Wall: 2069.06, 0.0030012/step, 3.59377 hours remaining, 208.359375 MB of memory in use. ENERGY: 689200 740.5910 2089.2186 1928.7911 118.2733 -206468.4631 18065.8548 0.0000 0.0000 34406.6116 -149119.1227 300.4815 -183525.7343 -149023.2005 300.0389 59.5535 93.7729 558307.7647 -3.3947 -3.5197 PRESSURE: 689400 -97.9697 134.023 -48.1703 134.024 -1.89067 -122.871 -48.1704 -122.873 56.1783 GPRESSURE: 689400 -107.874 41.7402 -53.8772 194.026 72.6615 -219.107 -28.5039 -28.637 82.5098 PRESSAVG: 689400 -26.4508 -10.4944 -24.7406 -10.4944 -45.2234 64.8961 -24.7406 64.8961 79.8151 GPRESSAVG: 689400 -26.1744 -12.8212 -23.5377 -6.57291 -44.7249 65.128 -27.0433 63.0921 79.5115 TIMING: 689400 CPU: 2069.66, 0.00299788/step Wall: 2069.66, 0.00299788/step, 3.58963 hours remaining, 208.359375 MB of memory in use. ENERGY: 689400 745.0614 2043.2887 1953.9049 111.8196 -206060.9640 17829.9272 0.0000 0.0000 34217.3229 -149159.6393 298.8284 -183376.9622 -149057.3807 299.5775 -14.5607 15.7656 558863.3385 2.7137 2.8708 PRESSURE: 689600 69.6961 -13.5279 -18.7238 -13.5273 -131.244 -37.5148 -18.7223 -37.5162 120.3 GPRESSURE: 689600 127.976 19.8883 -33.3661 -53.6369 -90.8567 -101.012 3.06486 -30.6248 101.552 PRESSAVG: 689600 -15.6823 -7.68387 16.9284 -7.68394 -19.6674 10.5363 16.9283 10.5364 34.7799 GPRESSAVG: 689600 -16.6174 -6.45045 19.3614 -11.6908 -19.6004 9.58112 19.3554 11.8069 35.4877 TIMING: 689600 CPU: 2070.26, 0.00299429/step Wall: 2070.26, 0.00299429/step, 3.58517 hours remaining, 208.359375 MB of memory in use. ENERGY: 689600 737.8574 2133.7818 1918.6574 111.9716 -205901.2918 17764.7290 0.0000 0.0000 34043.8528 -149190.4418 297.3134 -183234.2946 -149101.3846 299.5624 19.5840 46.2235 557263.8599 -0.1899 -0.2434 PRESSURE: 689800 -162.575 9.12575 -35.4918 9.12564 -179.765 300.984 -35.4927 300.983 33.7878 GPRESSURE: 689800 -107.719 39.0419 -134.396 -14.289 -128.927 355.983 18.652 212.824 34.2696 PRESSAVG: 689800 17.7073 -77.6132 -80.1491 -77.6132 13.1793 32.7492 -80.1491 32.7491 -5.46499 GPRESSAVG: 689800 17.9094 -76.1055 -82.2354 -77.7515 13.6478 31.8932 -80.1022 32.3101 -6.49397 TIMING: 689800 CPU: 2070.85, 0.00297381/step Wall: 2070.85, 0.00297381/step, 3.56048 hours remaining, 208.359375 MB of memory in use. ENERGY: 689800 712.0069 2056.4954 1922.1220 106.5026 -206229.7405 17668.1451 0.0000 0.0000 34501.0065 -149263.4620 301.3059 -183764.4685 -149163.4379 299.1574 -102.8506 -67.4590 558132.3842 8.4738 8.3544 PRESSURE: 690000 -11.7644 65.9682 -15.8018 65.967 320.513 3.93821 -15.8021 3.93665 -91.2424 GPRESSURE: 690000 38.8566 77.5898 30.5756 -67.9538 335.85 1.66015 -59.7323 34.3713 -58.4509 PRESSAVG: 690000 30.0709 -36.9136 -11.5801 -36.9135 -16.5792 42.2477 -11.5801 42.2478 38.3312 GPRESSAVG: 690000 30.9134 -39.3166 -11.7465 -33.8821 -17.1318 42.8139 -11.9468 41.6453 38.0749 TIMING: 690000 CPU: 2071.46, 0.00300405/step Wall: 2071.46, 0.00300405/step, 3.59651 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: 690000 746.2889 2080.9888 1941.5296 113.5365 -206364.2161 17762.4553 0.0000 0.0000 34480.7100 -149238.7069 301.1286 -183719.4169 -149140.9356 299.3560 72.5020 105.4186 556428.2503 17.2743 17.2855 PRESSURE: 690200 -239.789 1.484 -62.3911 1.48405 -266.803 -147.089 -62.3894 -147.088 -146.192 GPRESSURE: 690200 -200.025 -39.4057 -105.865 24.1253 -281.685 -107.737 -57.1893 -234.323 -65.1318 PRESSAVG: 690200 42.697 -37.6207 -36.5879 -37.6206 -59.2164 37.7951 -36.5879 37.795 12.6194 GPRESSAVG: 690200 42.402 -37.2204 -35.529 -39.462 -59.9442 38.5573 -38.1422 40.6419 13.561 TIMING: 690200 CPU: 2072.05, 0.00297811/step Wall: 2072.05, 0.00297811/step, 3.56529 hours remaining, 208.359375 MB of memory in use. ENERGY: 690200 783.0337 2066.0361 1942.3556 107.7893 -205915.6345 17521.7965 0.0000 0.0000 34401.9921 -149092.6312 300.4412 -183494.6233 -148996.4350 299.4014 -217.5948 -182.2805 558009.8886 -1.3000 -1.3271 PRESSURE: 690400 16.4918 7.70166 -112.138 7.70164 -210.638 -80.5434 -112.137 -80.5438 -156.103 GPRESSURE: 690400 56.0623 76.1951 -88.0813 -66.313 -153.769 -80.3868 -146.799 -53.4078 -156.593 PRESSAVG: 690400 6.64386 -62.4312 -19.081 -62.4312 -24.8666 -22.1422 -19.081 -22.1421 32.3158 GPRESSAVG: 690400 6.82951 -61.4378 -19.812 -61.0074 -24.3668 -23.1257 -18.6058 -24.4308 31.5549 TIMING: 690400 CPU: 2072.65, 0.00298143/step Wall: 2072.65, 0.00298143/step, 3.5691 hours remaining, 208.359375 MB of memory in use. ENERGY: 690400 742.0633 2064.8491 1963.4049 112.5186 -206275.8564 17752.9838 0.0000 0.0000 34491.6628 -149148.3739 301.2243 -183640.0367 -149052.4952 299.2304 -116.7500 -84.7664 558276.9816 4.6977 4.6725 PRESSURE: 690600 -359.481 73.3874 -115.391 73.3884 -190.378 92.3651 -115.392 92.3665 -211.292 GPRESSURE: 690600 -297.468 51.6289 -115.351 43.0191 -209.406 54.6516 -124.501 64.8279 -150.997 PRESSAVG: 690600 -8.04199 42.7572 -45.5123 42.7572 -30.0367 -33.5505 -45.5123 -33.5506 14.1829 GPRESSAVG: 690600 -7.85605 41.7705 -47.0197 42.119 -30.4002 -32.3129 -43.5859 -32.0793 14.2148 TIMING: 690600 CPU: 2073.24, 0.00297684/step Wall: 2073.24, 0.00297684/step, 3.56344 hours remaining, 208.359375 MB of memory in use. ENERGY: 690600 753.9720 2113.9285 1935.9795 108.9468 -205892.1563 17553.0147 0.0000 0.0000 34276.7651 -149149.5496 299.3475 -183426.3147 -149053.0139 299.5767 -253.7173 -219.2903 559339.3739 -7.9653 -8.0138 PRESSURE: 690800 -58.7326 17.3572 212.169 17.3569 -93.474 64.8375 212.169 64.8384 130.426 GPRESSURE: 690800 -18.1835 19.3332 290.491 -28.9074 -83.6945 95.1469 176.563 65.5406 172.306 PRESSAVG: 690800 0.82063 -22.4391 -1.71239 -22.439 -66.3665 22.7913 -1.71247 22.7913 32.4804 GPRESSAVG: 690800 -0.0584796 -22.3178 0.414871 -20.951 -64.8546 22.3036 -3.03182 21.7118 31.6175 TIMING: 690800 CPU: 2073.84, 0.00300755/step Wall: 2073.84, 0.00300755/step, 3.60004 hours remaining, 208.359375 MB of memory in use. ENERGY: 690800 743.2692 2117.8914 1951.1483 117.6149 -205889.9618 17623.6328 0.0000 0.0000 34225.5361 -149110.8691 298.9001 -183336.4052 -149013.4070 299.3110 -7.2602 23.4760 558385.0646 -11.0218 -11.0985 PRESSURE: 691000 -252.47 -14.4413 3.9177 -14.4404 21.9703 24.0167 3.91815 24.0167 -21.9357 GPRESSURE: 691000 -202.037 -20.2499 -3.32706 -58.9837 60.1547 -18.2678 14.5368 -10.8087 -34.0978 PRESSAVG: 691000 2.57596 0.152452 0.199397 0.152492 58.7098 -2.59008 0.199302 -2.59013 -3.05675 GPRESSAVG: 691000 2.88428 1.01672 -0.147632 -1.31606 58.3055 -4.0209 -0.469062 -2.00476 -3.08078 TIMING: 691000 CPU: 2074.45, 0.00304773/step Wall: 2074.45, 0.00304773/step, 3.64797 hours remaining, 208.359375 MB of memory in use. ENERGY: 691000 726.5694 2111.4521 1936.0937 109.2686 -205923.8298 17586.0976 0.0000 0.0000 34300.9118 -149153.4365 299.5584 -183454.3483 -149056.0097 299.2714 -84.1451 -58.6600 557346.0540 19.4097 19.3697 PRESSURE: 691200 76.2254 -47.8951 -23.1022 -47.8958 -176.308 -109.087 -23.1029 -109.086 33.6353 GPRESSURE: 691200 95.5669 -68.99 -42.7824 -138.636 -88.7994 -111.73 29.0272 -128.627 19.5234 PRESSAVG: 691200 12.9024 -26.2927 8.11983 -26.2927 -52.3968 -45.595 8.11985 -45.595 94.1193 GPRESSAVG: 691200 11.4816 -26.5964 7.89022 -25.7778 -52.6406 -43.9562 9.21545 -47.5931 95.8149 TIMING: 691200 CPU: 2075.06, 0.00303415/step Wall: 2075.06, 0.00303415/step, 3.63154 hours remaining, 208.359375 MB of memory in use. ENERGY: 691200 734.0231 2095.2832 1936.5189 108.7051 -205995.9398 17752.9039 0.0000 0.0000 34304.6153 -149063.8904 299.5907 -183368.5057 -148969.3097 299.9754 -22.1492 8.7637 556367.7667 18.2083 18.2186 PRESSURE: 691400 82.3561 99.8481 52.7661 99.8477 302.665 -61.4639 52.7661 -61.4625 51.6565 GPRESSURE: 691400 59.8796 214.968 123.903 -20.2958 325.865 -125.382 -68.9403 -34.5195 151.391 PRESSAVG: 691400 -4.10809 -4.14003 18.8384 -4.14004 65.4122 -84.364 18.8384 -84.3641 -78.3779 GPRESSAVG: 691400 -3.56762 -5.72219 20.6443 -2.91244 65.2083 -82.1176 18.2597 -86.2988 -78.5404 TIMING: 691400 CPU: 2075.67, 0.00305472/step Wall: 2075.67, 0.00305472/step, 3.65599 hours remaining, 208.359375 MB of memory in use. ENERGY: 691400 724.7697 2074.7736 1922.1922 113.0879 -206311.1881 18131.8642 0.0000 0.0000 34393.3200 -148951.1805 300.3654 -183344.5005 -148858.7865 299.5359 145.5591 179.0454 557760.8216 -5.6913 -5.6332 PRESSURE: 691600 207.205 40.8928 105.99 40.8931 -117.527 -74.3438 105.989 -74.3446 115.568 GPRESSURE: 691600 264.629 38.8148 94.4048 47.8977 -60.7189 -120.277 114.282 -38.4289 98.0611 PRESSAVG: 691600 44.4539 24.9683 16.5953 24.9683 4.52423 2.79889 16.5953 2.79881 -28.3161 GPRESSAVG: 691600 45.2668 26.7304 15.9918 23.3341 3.30372 1.24349 16.7688 5.9049 -27.594 TIMING: 691600 CPU: 2076.28, 0.00303725/step Wall: 2076.28, 0.00303725/step, 3.63491 hours remaining, 208.359375 MB of memory in use. ENERGY: 691600 709.3554 2083.5501 1942.7776 108.0612 -205968.1054 17738.7216 0.0000 0.0000 34434.6853 -148950.9541 300.7267 -183385.6395 -148850.8983 300.4697 68.4154 100.6571 557852.8402 6.8873 6.9922 PRESSURE: 691800 201.145 43.5811 -106.064 43.5815 219.444 -23.1135 -106.064 -23.1141 -173.364 GPRESSURE: 691800 189.927 23.759 -154.938 26.6529 276.838 -6.44585 -42.244 -65.4971 -112.846 PRESSAVG: 691800 72.4603 61.7803 67.5705 61.7802 4.31153 -29.0676 67.5705 -29.0675 -99.5241 GPRESSAVG: 691800 72.2364 61.7947 67.4329 61.7418 5.90781 -31.0137 68.0442 -31.2475 -100.334 TIMING: 691800 CPU: 2076.89, 0.00306169/step Wall: 2076.89, 0.00306169/step, 3.664 hours remaining, 208.359375 MB of memory in use. ENERGY: 691800 770.7761 2063.0616 1940.8404 112.5573 -205997.9138 17857.6827 0.0000 0.0000 34459.9884 -148793.0073 300.9476 -183252.9957 -148698.8532 300.2395 82.4083 117.9731 557725.2938 -7.5841 -7.3968 PRESSURE: 692000 -122.326 45.0475 50.8642 45.0468 -71.3997 -89.5732 50.8637 -89.5729 12.4945 GPRESSURE: 692000 -39.2134 78.6709 76.6621 -32.8765 0.688107 -73.5478 -23.3062 -81.6452 -49.5424 PRESSAVG: 692000 40.9651 31.5516 45.7378 31.5515 56.9395 -46.6665 45.7379 -46.6665 -104.61 GPRESSAVG: 692000 40.7529 30.8969 44.7398 31.5777 55.8051 -46.477 45.6276 -46.2628 -103.982 TIMING: 692000 CPU: 2077.49, 0.00299725/step Wall: 2077.49, 0.00299725/step, 3.58671 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: 692000 746.3410 2172.0052 1926.2815 111.4503 -205702.1576 17700.6955 0.0000 0.0000 34439.5562 -148605.8280 300.7692 -183045.3842 -148513.6329 300.6527 -60.4103 -29.3559 558465.2908 -2.2353 -2.4747 PRESSURE: 692200 -24.3235 -117.225 -14.31 -117.225 -205.948 94.5237 -14.3111 94.523 29.2795 GPRESSURE: 692200 18.708 -57.5003 30.6493 -82.3972 -173.826 158.957 -47.9921 -0.988368 43.3269 PRESSAVG: 692200 22.7582 -11.5471 33.9205 -11.5471 -20.421 2.7003 33.9205 2.70025 -8.05698 GPRESSAVG: 692200 23.693 -9.8594 34.9276 -12.8035 -20.3728 4.40781 35.6224 4.34337 -8.39483 TIMING: 692200 CPU: 2078.09, 0.00300055/step Wall: 2078.09, 0.00300055/step, 3.59049 hours remaining, 208.359375 MB of memory in use. ENERGY: 692200 733.8313 2076.2099 1941.5126 99.0570 -205485.6275 17428.5240 0.0000 0.0000 34515.3141 -148691.1786 301.4308 -183206.4927 -148596.1587 300.8645 -66.9972 -37.2636 556589.6552 -1.9066 -1.6916 LDB: ============= START OF LOAD BALANCING ============== 2081.61 LDB: ============== END OF LOAD BALANCING =============== 2081.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2081.61 LDB: ============= START OF LOAD BALANCING ============== 2081.91 LDB: Largest compute 4794 load 0.024308 is 20.6% of average load 0.117870 LDB: Average compute 0.001727 is 1.5% of average load 0.117870 LDB: TIME 2081.92 LOAD: AVG 0.11787 MAX 0.212216 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.727 MB LDB: TIME 2081.92 LOAD: AVG 0.11787 MAX 0.212216 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.77 MB LDB: TIME 2081.92 LOAD: AVG 0.11787 MAX 0.212216 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.77 MB LDB: ============== END OF LOAD BALANCING =============== 2081.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2081.92 PRESSURE: 692400 -18.3196 1.9942 -73.7161 1.99468 156.656 13.3276 -73.7157 13.3273 -152.197 GPRESSURE: 692400 70.8696 -28.4112 -125.415 95.5864 211.287 -34.8595 11.763 -23.9055 -172.779 PRESSAVG: 692400 -14.6461 -100.633 62.3912 -100.633 -46.9431 6.77095 62.3912 6.77092 37.3193 GPRESSAVG: 692400 -15.1911 -101.026 62.1784 -99.959 -46.4478 5.40433 60.9712 5.92742 37.469 TIMING: 692400 CPU: 2078.71, 0.00308366/step Wall: 2078.71, 0.00308366/step, 3.68977 hours remaining, 207.894531 MB of memory in use. ENERGY: 692400 733.5127 2076.7561 1949.0558 103.6961 -205920.2750 17619.5882 0.0000 0.0000 34637.6222 -148800.0438 302.4990 -183437.6660 -148705.1187 301.4413 -4.6200 36.4592 555858.9629 -8.0900 -8.0566 PRESSURE: 692600 -251.559 11.9038 -88.6501 11.9044 -68.1414 -12.0501 -88.6502 -12.0508 -105.563 GPRESSURE: 692600 -200.447 -13.884 -57.804 -34.0351 -48.4556 -112.447 -110.621 27.997 -63.6807 PRESSAVG: 692600 -27.2684 6.61565 -48.5755 6.61567 61.9101 5.68517 -48.5754 5.68524 2.55917 GPRESSAVG: 692600 -26.9123 6.89254 -48.515 6.85496 61.0754 4.26955 -47.9889 5.26173 3.16225 TIMING: 692600 CPU: 2079.31, 0.00298875/step Wall: 2079.31, 0.00298875/step, 3.57603 hours remaining, 208.355469 MB of memory in use. ENERGY: 692600 781.1223 2093.8662 1943.3757 117.4453 -205777.3648 17736.6749 0.0000 0.0000 34255.7127 -148849.1676 299.1637 -183104.8804 -148759.4479 300.4011 -141.7544 -104.1944 559121.6407 12.4003 12.4418 PRESSURE: 692800 252.087 -143.131 135.241 -143.13 -82.8284 61.3828 135.241 61.3826 -77.1538 GPRESSURE: 692800 243.932 -170.29 164.022 -139.043 -23.0421 18.0857 100.981 145.599 -30.9664 PRESSAVG: 692800 22.1903 -4.64367 -40.2246 -4.64381 -21.753 19.0822 -40.2247 19.0821 -22.1597 GPRESSAVG: 692800 22.1254 -4.55014 -39.4206 -6.79127 -20.6583 21.3559 -42.1655 19.7574 -22.9787 TIMING: 692800 CPU: 2079.91, 0.0030135/step Wall: 2079.91, 0.0030135/step, 3.60548 hours remaining, 208.355469 MB of memory in use. ENERGY: 692800 746.8859 2060.5161 1910.5264 103.1523 -205945.1260 17727.4768 0.0000 0.0000 34358.4332 -149038.1352 300.0607 -183396.5684 -148935.0659 300.1754 30.7015 63.3077 558680.7744 -7.2408 -7.1705 PRESSURE: 693000 -103.077 1.67301 -11.0513 1.67335 -30.1778 123.349 -11.0506 123.348 -384.937 GPRESSURE: 693000 -91.7988 5.24237 45.4198 -74.7767 17.7031 63.0605 -37.1916 124.786 -348.699 PRESSAVG: 693000 55.0173 2.32218 3.57583 2.32224 48.943 9.07082 3.57582 9.07078 -123.381 GPRESSAVG: 693000 55.0332 3.3226 3.10883 4.85651 49.1392 8.83429 4.28599 8.19487 -123.916 TIMING: 693000 CPU: 2080.51, 0.00300807/step Wall: 2080.51, 0.00300807/step, 3.59882 hours remaining, 208.355469 MB of memory in use. ENERGY: 693000 768.4721 2080.2284 1930.7797 113.6441 -205832.4349 17652.2149 0.0000 0.0000 34265.5410 -149021.5546 299.2495 -183287.0956 -148927.3293 299.8793 -172.7306 -140.9317 561083.9649 -6.4737 -6.5811 PRESSURE: 693200 -66.4173 40.1589 31.7821 40.1589 -135 -14.5338 31.7833 -14.5332 -166.904 GPRESSURE: 693200 -96.7387 59.6898 50.2646 31.8404 -97.8464 46.9565 54.1478 -66.3222 -77.7217 PRESSAVG: 693200 -14.0385 -40.4853 -6.30647 -40.4852 0.249189 35.5088 -6.30659 35.5087 47.9373 GPRESSAVG: 693200 -14.4386 -42.9124 -7.29928 -40.2432 0.0526602 35.7831 -4.81512 36.0877 48.9427 TIMING: 693200 CPU: 2081.11, 0.00300295/step Wall: 2081.11, 0.00300295/step, 3.59253 hours remaining, 208.355469 MB of memory in use. ENERGY: 693200 733.2489 2079.4386 1960.2005 122.8198 -206211.5136 17724.7207 0.0000 0.0000 34447.4544 -149143.6306 300.8382 -183591.0850 -149045.1037 299.3239 -122.7740 -90.7689 560703.2175 11.3826 11.5189 PRESSURE: 693400 -144.412 131.26 -207.801 131.261 -156.059 -66.1557 -207.801 -66.1551 -3.39614 GPRESSURE: 693400 -141.124 157.336 -103.188 82.9468 -142.65 -7.33373 -165.01 -126.038 65.8788 PRESSAVG: 693400 -48.5638 -7.13741 9.67928 -7.13747 13.3162 -11.76 9.67934 -11.7599 -5.37067 GPRESSAVG: 693400 -49.5511 -8.79056 8.82714 -7.12001 13.3955 -12.9259 9.02701 -10.7374 -4.6498 TIMING: 693400 CPU: 2081.71, 0.00301694/step Wall: 2081.71, 0.00301694/step, 3.6091 hours remaining, 208.355469 MB of memory in use. ENERGY: 693400 733.0414 2039.8182 1917.5058 113.5508 -206158.0597 17659.4326 0.0000 0.0000 34355.5196 -149339.1914 300.0353 -183694.7109 -149244.3849 299.5413 -101.2889 -72.6316 558539.4517 -13.5394 -13.6018 PRESSURE: 693600 8.44364 72.498 23.3332 72.4989 139.698 101.14 23.3338 101.138 72.1677 GPRESSURE: 693600 52.6605 172.349 61.0726 75.3488 141.11 111.48 22.588 52.0239 123.842 PRESSAVG: 693600 46.2026 58.3116 46.7811 58.3116 -43.2021 61.0156 46.7811 61.0156 5.66972 GPRESSAVG: 693600 47.318 63.2708 48.0241 55.9825 -44.1414 62.2009 45.3483 59.5356 6.11537 TIMING: 693600 CPU: 2082.32, 0.00301301/step Wall: 2082.32, 0.00301301/step, 3.60423 hours remaining, 208.355469 MB of memory in use. ENERGY: 693600 774.0486 2048.6771 1926.4743 112.0596 -206623.5830 18046.3955 0.0000 0.0000 34205.4835 -149510.4445 298.7250 -183715.9281 -149412.4796 299.6218 73.4366 105.8709 556238.5739 2.8901 3.0973 PRESSURE: 693800 -149.674 50.7992 167.408 50.7996 120.923 -13.2865 167.407 -13.2863 -28.2047 GPRESSURE: 693800 -125.161 12.4341 181.332 -67.9204 186.111 -10.4168 175.265 3.88685 -25.978 PRESSAVG: 693800 28.2613 40.3158 -8.89561 40.3158 39.7363 32.7881 -8.8956 32.7882 -64.0532 GPRESSAVG: 693800 28.191 36.8222 -10.5653 40.1355 40.0057 31.1037 -6.89229 33.7679 -64.3413 TIMING: 693800 CPU: 2082.92, 0.00300837/step Wall: 2082.92, 0.00300837/step, 3.59851 hours remaining, 208.355469 MB of memory in use. ENERGY: 693800 754.2645 2070.5399 1907.3799 97.8348 -206320.2967 17828.3080 0.0000 0.0000 34075.6362 -149586.3335 297.5910 -183661.9697 -149487.2045 298.5962 -18.9850 11.6574 557536.5224 1.3148 1.2851 PRESSURE: 694000 -62.2862 88.8357 -3.08759 88.8371 -19.7847 171.059 -3.08821 171.058 -23.3822 GPRESSURE: 694000 -17.4182 39.1272 1.28594 101.458 -10.6006 186.373 -21.6157 150.336 8.89766 PRESSAVG: 694000 22.4242 25.9425 -22.2894 25.9425 60.6972 57.15 -22.2892 57.15 -54.2298 GPRESSAVG: 694000 22.4227 25.464 -19.327 27.6353 62.5946 57.2654 -22.3824 56.7316 -55.7883 TIMING: 694000 CPU: 2083.52, 0.0030307/step Wall: 2083.52, 0.0030307/step, 3.62505 hours remaining, 208.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 694000 718.2834 2052.8899 1920.2871 100.1506 -206508.3025 17818.6465 0.0000 0.0000 34211.6321 -149686.4129 298.7787 -183898.0450 -149586.3079 297.9901 -35.1510 -6.3737 557298.8030 9.6305 9.7430 PRESSURE: 694200 162.593 -16.1121 96.2009 -16.1121 -141.127 -35.17 96.1997 -35.1697 144.405 GPRESSURE: 694200 132.865 -26.8084 90.2455 1.32371 -94.0588 -48.6302 94.9328 -59.2568 226.576 PRESSAVG: 694200 -6.6201 27.7658 -9.57729 27.7658 39.3911 34.7186 -9.57732 34.7186 -7.81901 GPRESSAVG: 694200 -6.05478 28.9194 -11.0454 26.8481 38.2796 33.5719 -11.2363 34.9517 -7.16083 TIMING: 694200 CPU: 2084.13, 0.00304526/step Wall: 2084.13, 0.00304526/step, 3.6423 hours remaining, 208.355469 MB of memory in use. ENERGY: 694200 738.1310 2068.9463 1941.7515 112.5764 -206374.7917 18001.4723 0.0000 0.0000 33984.7269 -149527.1873 296.7971 -183511.9142 -149436.3659 297.5371 55.2906 88.4609 557830.2440 8.3173 8.3547 PRESSURE: 694400 -148.278 53.1247 -68.4979 53.1233 42.4789 69.1669 -68.498 69.1684 -32.3857 GPRESSURE: 694400 -107.805 36.9473 -120.304 90.8785 91.1044 190.388 15.6165 -25.0266 -34.1509 PRESSAVG: 694400 -43.2422 -7.46517 20.5144 -7.46518 61.3826 -25.9715 20.5145 -25.9715 -44.5389 GPRESSAVG: 694400 -42.9731 -7.83817 20.5957 -6.07839 60.5962 -23.5322 20.4595 -28.1369 -43.1939 TIMING: 694400 CPU: 2084.74, 0.00303215/step Wall: 2084.74, 0.00303215/step, 3.62645 hours remaining, 208.355469 MB of memory in use. ENERGY: 694400 765.5396 2007.1661 1939.9269 114.2020 -206871.5609 18126.9273 0.0000 0.0000 34314.8380 -149602.9610 299.6800 -183917.7990 -149497.1833 297.8757 -46.0616 -16.9504 557328.1581 -8.7995 -8.5236 PRESSURE: 694600 31.9784 49.4031 -88.3903 49.4042 211.7 1.83919 -88.3895 1.839 -176.857 GPRESSURE: 694600 97.1445 -42.206 -74.3271 108.519 210.764 8.16719 -143.463 66.2315 -141.489 PRESSAVG: 694600 51.28 -8.80195 13.9409 -8.80197 -27.5986 8.99253 13.9409 8.99257 -33.9324 GPRESSAVG: 694600 51.5053 -7.19257 14.151 -10.9403 -26.6245 8.22643 13.7525 10.5992 -35.0478 TIMING: 694600 CPU: 2085.34, 0.00300896/step Wall: 2085.34, 0.00300896/step, 3.59854 hours remaining, 208.355469 MB of memory in use. ENERGY: 694600 760.6727 2074.8282 1931.2322 104.6750 -206327.5549 17852.3708 0.0000 0.0000 34150.9043 -149452.8719 298.2483 -183603.7762 -149358.4470 298.0897 22.2739 55.4732 557627.6434 -3.4170 -3.3890 PRESSURE: 694800 -29.3655 -255.464 95.6155 -255.462 25.0623 -122.832 95.6155 -122.832 -51.0379 GPRESSURE: 694800 -0.006005 -180.409 120.535 -193.226 78.8646 -158.68 120.985 -70.4961 -34.3689 PRESSAVG: 694800 -0.0465364 -16.0301 -17.4361 -16.0301 44.2668 5.80349 -17.4361 5.80355 -58.6693 GPRESSAVG: 694800 0.548792 -16.5022 -17.2042 -14.8626 44.2838 6.90775 -18.5285 4.24701 -58.7164 TIMING: 694800 CPU: 2085.95, 0.00302858/step Wall: 2085.95, 0.00302858/step, 3.62185 hours remaining, 208.355469 MB of memory in use. ENERGY: 694800 742.1372 2072.2223 1927.2952 95.3861 -206587.5008 17982.8249 0.0000 0.0000 34264.8021 -149502.8330 299.2430 -183767.6351 -149398.1012 298.6198 -18.4470 14.8299 557289.8567 -4.8164 -4.6279 PRESSURE: 695000 25.9622 60.9231 -85.6377 60.9238 34.4208 7.91647 -85.6386 7.91854 165.077 GPRESSURE: 695000 88.6045 108.248 -84.4206 -4.57612 56.6024 77.7946 -83.5013 -50.164 184.91 PRESSAVG: 695000 7.75255 2.79646 18.3705 2.79649 8.50247 30.8228 18.3705 30.8229 -24.7183 GPRESSAVG: 695000 7.86516 2.04167 20.5863 3.749 6.75002 28.9485 18.6081 32.5274 -22.957 TIMING: 695000 CPU: 2086.56, 0.00306633/step Wall: 2086.56, 0.00306633/step, 3.66682 hours remaining, 208.355469 MB of memory in use. ENERGY: 695000 728.3574 2050.7397 1913.4012 107.5798 -206318.7750 17966.8738 0.0000 0.0000 34054.4467 -149497.3765 297.4060 -183551.8231 -149402.9066 298.0337 75.1535 110.0389 558888.3438 -2.8211 -2.7806 PRESSURE: 695200 257.279 196.249 36.1561 196.249 98.2539 97.0956 36.1562 97.0957 -7.03282 GPRESSURE: 695200 278.936 201.972 100.778 160.862 124.558 169.231 51.2062 85.9453 50.9351 PRESSAVG: 695200 39.8541 43.4418 15.3395 43.4418 -9.7132 25.0417 15.3395 25.0418 -25.7776 GPRESSAVG: 695200 39.0295 42.7939 14.5983 43.2572 -8.21781 26.1073 14.7331 24.5995 -26.1631 TIMING: 695200 CPU: 2087.17, 0.00306579/step Wall: 2087.17, 0.00306579/step, 3.66601 hours remaining, 208.355469 MB of memory in use. ENERGY: 695200 715.4673 2078.5365 1908.0297 101.2337 -206542.2240 18014.2039 0.0000 0.0000 34252.2115 -149472.5415 299.1331 -183724.7530 -149378.4730 297.9315 116.1667 151.4765 557459.8706 1.4544 1.5495 PRESSURE: 695400 43.6316 -30.1697 -159.244 -30.1697 -208.336 3.33842 -159.245 3.33815 -213.835 GPRESSURE: 695400 110.62 -8.84036 -110.176 32.8008 -156.559 -63.4065 -181.905 68.8604 -218.62 PRESSAVG: 695400 68.9779 72.6985 -4.76679 72.6986 -0.936274 4.35094 -4.76683 4.35094 -62.5224 GPRESSAVG: 695400 68.8128 76.7791 -3.61089 70.8735 -1.32486 3.51776 -7.1082 4.2714 -61.9269 TIMING: 695400 CPU: 2087.78, 0.00305657/step Wall: 2087.78, 0.00305657/step, 3.65481 hours remaining, 208.355469 MB of memory in use. ENERGY: 695400 773.2882 2061.7208 1917.2042 122.5731 -206242.8433 17842.2903 0.0000 0.0000 34127.4625 -149398.3041 298.0436 -183525.7667 -149296.3284 298.7316 -126.1795 -88.1865 557852.6635 1.8398 1.8537 PRESSURE: 695600 -143.346 29.7541 81.2649 29.7526 -354.652 37.3803 81.2654 37.3797 -99.9807 GPRESSURE: 695600 -77.8237 104.439 27.1154 84.7604 -344.039 97.6403 87.4285 -36.9124 -78.0151 PRESSAVG: 695600 24.2764 68.1671 0.679731 68.1672 -14.5717 -4.94779 0.679765 -4.94781 1.8119 GPRESSAVG: 695600 24.4659 66.6711 -0.871658 69.2198 -13.9589 -5.39929 1.87794 -5.31189 1.20076 TIMING: 695600 CPU: 2088.39, 0.00304129/step Wall: 2088.39, 0.00304129/step, 3.63637 hours remaining, 208.355469 MB of memory in use. ENERGY: 695600 766.4244 2115.6258 1916.7758 123.1042 -206330.4708 17737.5510 0.0000 0.0000 34145.1437 -149525.8458 298.1980 -183670.9895 -149432.8538 298.2676 -199.3263 -166.6259 557491.1486 3.8389 3.9026 PRESSURE: 695800 -207.825 43.151 11.3742 43.1497 -350.593 -192.32 11.3736 -192.32 -397.031 GPRESSURE: 695800 -133.772 42.7168 10.2777 45.122 -372.981 -253.578 87.5189 -209.88 -339.565 PRESSAVG: 695800 4.31035 14.4052 -3.06239 14.4051 -9.47685 -11.7063 -3.06236 -11.7062 19.2652 GPRESSAVG: 695800 5.59609 13.8045 -3.55059 13.4239 -10.0142 -13.372 -0.583442 -9.64977 18.5463 TIMING: 695800 CPU: 2089, 0.00305503/step Wall: 2089, 0.00305503/step, 3.65263 hours remaining, 208.355469 MB of memory in use. ENERGY: 695800 760.6301 2064.9568 1957.2590 105.0050 -205798.0362 17310.0747 0.0000 0.0000 34237.4295 -149362.6811 299.0040 -183600.1106 -149267.7886 299.4133 -318.4831 -282.1059 558361.8439 4.6996 4.7094 PRESSURE: 696000 -11.8206 -148.031 -127.348 -148.031 69.4305 26.1998 -127.349 26.1997 156.141 GPRESSURE: 696000 26.9137 -153.04 -111.668 -132.494 114.771 130.813 -115.417 -22.3516 168.202 PRESSAVG: 696000 8.70862 22.3301 -33.3224 22.3301 -32.6246 -16.3238 -33.3225 -16.3238 8.62642 GPRESSAVG: 696000 7.02732 18.7241 -33.5715 25.6797 -31.2888 -12.9383 -34.8013 -17.4705 8.39863 TIMING: 696000 CPU: 2089.61, 0.00303726/step Wall: 2089.61, 0.00303726/step, 3.63122 hours remaining, 208.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 696000 747.0872 2014.7780 1945.8761 107.7805 -206690.6741 18007.3578 0.0000 0.0000 34373.3216 -149494.4729 300.1908 -183867.7946 -149399.9159 299.1696 71.2502 103.2956 556150.8946 -5.0965 -5.2876 PRESSURE: 696200 0.452719 22.0769 -184.734 22.0787 -65.9716 -94.1165 -184.734 -94.1163 -207.925 GPRESSURE: 696200 66.5128 40.1569 -99.9614 6.24397 -104.918 -190.555 -202.628 31.9437 -142.907 PRESSAVG: 696200 37.4839 28.5921 -36.7526 28.592 -18.5585 13.4907 -36.7526 13.4906 12.2992 GPRESSAVG: 696200 38.7558 29.4565 -36.3913 26.0962 -19.8185 13.9686 -36.6595 11.0192 12.2556 TIMING: 696200 CPU: 2090.22, 0.00303728/step Wall: 2090.22, 0.00303728/step, 3.63107 hours remaining, 208.355469 MB of memory in use. ENERGY: 696200 751.1198 2110.8399 1935.1564 118.0633 -206302.0178 17847.6209 0.0000 0.0000 34126.6909 -149412.5264 298.0369 -183539.2174 -149316.2680 298.3761 -91.1481 -60.4373 558915.8910 10.4082 10.3976 LDB: ============= START OF LOAD BALANCING ============== 2093.74 LDB: ============== END OF LOAD BALANCING =============== 2093.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2093.74 LDB: ============= START OF LOAD BALANCING ============== 2094.04 LDB: Largest compute 4794 load 0.025004 is 21.2% of average load 0.118015 LDB: Average compute 0.001722 is 1.5% of average load 0.118015 LDB: TIME 2094.05 LOAD: AVG 0.118015 MAX 0.21629 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.895 MB LDB: TIME 2094.05 LOAD: AVG 0.118015 MAX 0.21629 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.102 MB LDB: TIME 2094.05 LOAD: AVG 0.118015 MAX 0.21629 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.102 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2094.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2094.05 PRESSURE: 696400 -43.2238 15.6042 -130.111 15.6044 -91.5158 107.407 -130.111 107.407 91.8532 GPRESSURE: 696400 -11.0676 -0.576727 -69.6613 -11.6734 -36.8165 145.906 -158.26 119.506 112.238 PRESSAVG: 696400 59.5816 5.50475 -41.4594 5.5048 12.285 22.0409 -41.4594 22.041 -45.0521 GPRESSAVG: 696400 60.1742 7.18297 -39.8695 5.63676 11.7217 19.3056 -40.9425 24.5464 -44.5916 TIMING: 696400 CPU: 2090.84, 0.00308793/step Wall: 2090.84, 0.00308793/step, 3.69145 hours remaining, 210.019531 MB of memory in use. ENERGY: 696400 757.4988 2065.6986 1929.2329 112.3909 -206344.0041 17869.1697 0.0000 0.0000 34063.2813 -149546.7317 297.4831 -183610.0130 -149451.8954 298.5466 -14.2954 21.4513 557505.3728 8.9382 9.1014 PRESSURE: 696600 -252.433 -71.6702 10.1278 -71.6695 -249.756 90.5771 10.1281 90.575 -396.606 GPRESSURE: 696600 -253.26 -28.5414 26.477 -62.7927 -194.101 47.6806 1.53513 188.314 -343.245 PRESSAVG: 696600 6.19483 2.33079 19.501 2.33068 18.6365 62.9099 19.5011 62.9099 -34.1649 GPRESSAVG: 696600 5.7415 2.23101 18.3554 2.13648 19.2052 64.2394 18.4955 62.325 -33.9312 TIMING: 696600 CPU: 2091.45, 0.00305479/step Wall: 2091.45, 0.00305479/step, 3.65166 hours remaining, 210.222656 MB of memory in use. ENERGY: 696600 763.2619 2062.7866 1933.6846 106.7119 -205800.9607 17417.6421 0.0000 0.0000 34190.4694 -149326.4043 298.5939 -183516.8737 -149234.5695 298.3396 -299.5982 -263.5353 557879.0825 -3.1112 -2.9948 PRESSURE: 696800 -7.48292 18.0973 67.4735 18.0979 -29.9169 -55.1558 67.4741 -55.1579 152.891 GPRESSURE: 696800 15.6607 24.5249 114.871 -3.53845 -22.5385 32.3006 61.2467 -140.373 207.994 PRESSAVG: 696800 75.3576 19.5446 6.28078 19.5447 -80.5359 31.7034 6.28081 31.7035 43.4031 GPRESSAVG: 696800 76.239 19.2473 3.82215 18.5141 -80.1689 31.7272 9.95546 31.0272 42.556 TIMING: 696800 CPU: 2092.05, 0.00303498/step Wall: 2092.05, 0.00303498/step, 3.62782 hours remaining, 210.222656 MB of memory in use. ENERGY: 696800 783.2363 2101.2142 1944.2172 102.8236 -206089.9785 17752.7613 0.0000 0.0000 34087.2619 -149318.4641 297.6925 -183405.7259 -149224.7125 299.0371 38.4970 67.0389 556839.9752 12.7416 12.8754 PRESSURE: 697000 105.594 -42.7533 86.5048 -42.7526 -109.22 70.2889 86.5052 70.2888 88.254 GPRESSURE: 697000 161.061 31.4452 50.8175 -106.97 -57.365 73.3398 119.544 135.677 71.1784 PRESSAVG: 697000 -27.8111 24.5235 6.32294 24.5236 -76.4906 23.0845 6.32286 23.0844 101.284 GPRESSAVG: 697000 -28.9921 25.9438 6.85757 26.3633 -76.5828 22.5561 2.64953 25.272 101.896 TIMING: 697000 CPU: 2092.66, 0.00301664/step Wall: 2092.66, 0.00301664/step, 3.60572 hours remaining, 210.222656 MB of memory in use. ENERGY: 697000 729.9301 2092.9810 1909.9925 112.1948 -205934.9415 17803.9021 0.0000 0.0000 34232.6559 -149053.2850 298.9623 -183285.9409 -148961.6336 299.5068 28.2093 58.2913 558312.7551 -1.0060 -1.2264 PRESSURE: 697200 25.969 8.43722 97.5729 8.43825 -58.2885 60.0733 97.5729 60.0738 294.793 GPRESSURE: 697200 124.78 23.0194 -8.24998 -15.4659 -96.2571 27.4215 78.8979 185.925 344.698 PRESSAVG: 697200 11.4165 2.7375 -8.3215 2.73754 -26.3146 14.603 -8.32156 14.603 18.4143 GPRESSAVG: 697200 10.839 1.46941 -4.68603 1.87401 -25.5547 13.7005 -8.04755 12.4998 17.829 TIMING: 697200 CPU: 2093.27, 0.00306512/step Wall: 2093.27, 0.00306512/step, 3.6635 hours remaining, 210.222656 MB of memory in use. ENERGY: 697200 727.3157 2085.4161 1911.1983 117.6445 -206096.2145 17986.2324 0.0000 0.0000 34114.6863 -149153.7211 297.9320 -183268.4075 -149057.7562 299.6787 87.4910 124.4070 557652.2343 1.1721 1.0378 PRESSURE: 697400 89.8577 -63.5973 -8.74416 -63.5974 0.421197 -205.824 -8.74313 -205.823 -11.341 GPRESSURE: 697400 152.491 -83.0735 -3.78207 28.1129 8.10143 -82.4333 -65.2308 -171.142 18.3037 PRESSAVG: 697400 17.5919 -3.89288 -2.61955 -3.8929 -37.7109 5.07684 -2.61963 5.0769 15.4096 GPRESSAVG: 697400 17.1554 -3.99153 -7.21643 -3.20331 -37.9029 6.46721 -0.769097 5.3703 16.0048 TIMING: 697400 CPU: 2093.88, 0.003066/step Wall: 2093.88, 0.003066/step, 3.66438 hours remaining, 210.222656 MB of memory in use. ENERGY: 697400 720.3689 2105.4512 1891.3630 120.5958 -206114.9188 17820.7634 0.0000 0.0000 34252.7324 -149203.6441 299.1376 -183456.3765 -149110.0966 300.0590 26.3126 59.6319 557492.1940 -1.5698 -1.5809 PRESSURE: 697600 -67.6609 125.259 107.716 125.258 -200.652 -62.1728 107.715 -62.1737 -261.333 GPRESSURE: 697600 -101.96 138.303 57.2535 120.141 -183.162 -84.118 117.432 -81.4292 -161.526 PRESSAVG: 697600 33.5195 -51.1548 -19.7221 -51.1549 -26.885 -86.5055 -19.7221 -86.5057 -11.4475 GPRESSAVG: 697600 33.8261 -51.8231 -16.4426 -50.5583 -27.8753 -88.276 -22.2061 -86.9016 -10.8177 TIMING: 697600 CPU: 2094.49, 0.00301643/step Wall: 2094.49, 0.00301643/step, 3.60496 hours remaining, 210.222656 MB of memory in use. ENERGY: 697600 729.6608 2116.6711 1925.3504 103.6417 -205985.8357 17599.8319 0.0000 0.0000 34339.1453 -149171.5344 299.8923 -183510.6797 -149071.9511 299.2908 -176.5485 -148.8826 558972.6143 -1.6043 -1.6223 PRESSURE: 697800 -212.812 18.8083 -107.554 18.8068 -250.888 72.9571 -107.554 72.9561 -115.452 GPRESSURE: 697800 -89.3843 49.3781 -82.5265 80.5402 -285.829 -25.5266 -72.2354 142.759 -100.605 PRESSAVG: 697800 2.54898 -28.2936 13.2886 -28.2935 33.3952 -31.1215 13.2886 -31.1216 -23.8961 GPRESSAVG: 697800 3.26317 -29.4604 12.9591 -28.2325 32.933 -30.5675 13.8005 -32.1985 -24.5487 TIMING: 697800 CPU: 2095.09, 0.00300448/step Wall: 2095.09, 0.00300448/step, 3.59052 hours remaining, 210.222656 MB of memory in use. ENERGY: 697800 733.0662 2087.1305 1915.0939 98.1179 -205722.6065 17490.5840 0.0000 0.0000 34231.1552 -149167.4588 298.9492 -183398.6140 -149072.5745 299.5195 -193.0505 -158.6062 558818.8418 4.0160 3.8825 PRESSURE: 698000 -145.794 -24.7602 -114.344 -24.7593 -181.599 8.2466 -114.346 8.24839 65.8457 GPRESSURE: 698000 -109.898 94.7773 -113.242 -44.2462 -107.836 -17.8983 -129.803 83.6614 65.1808 PRESSAVG: 698000 14.7164 -7.65555 3.09293 -7.65564 -7.0315 3.24442 3.09294 3.24427 -10.8026 GPRESSAVG: 698000 14.5182 -6.68627 1.88279 -8.41281 -6.34191 3.10045 4.09375 6.03565 -11.0976 TIMING: 698000 CPU: 2095.7, 0.00303799/step Wall: 2095.7, 0.00303799/step, 3.6304 hours remaining, 210.222656 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: 698000 726.5708 2064.3103 1916.4510 123.0869 -206179.1952 17828.8029 0.0000 0.0000 34265.8247 -149254.1485 299.2520 -183519.9733 -149152.4890 299.6476 -87.1823 -50.8510 557814.5846 -1.0392 -0.9738 PRESSURE: 698200 211.442 -130.551 -77.7765 -130.551 223.924 -97.2355 -77.7769 -97.2361 326.424 GPRESSURE: 698200 233.521 -126.706 -167.602 -129.766 289.065 -60.4281 -55.3885 -122.001 314.931 PRESSAVG: 698200 -19.4263 4.64606 -7.90743 4.64596 -26.7363 11.3992 -7.90744 11.3992 60.5886 GPRESSAVG: 698200 -18.4285 5.01083 -6.11903 4.03885 -27.4335 12.2065 -7.33824 9.81766 60.0429 TIMING: 698200 CPU: 2096.3, 0.00302856/step Wall: 2096.3, 0.00302856/step, 3.61897 hours remaining, 210.222656 MB of memory in use. ENERGY: 698200 744.3897 2128.5469 1902.7188 107.4713 -206610.4809 18121.0076 0.0000 0.0000 34537.8367 -149068.5100 301.6275 -183606.3467 -148981.6612 299.2414 253.9300 279.1725 556505.9969 4.8087 4.7270 PRESSURE: 698400 -86.5366 56.6593 211.286 56.659 154.588 35.4383 211.287 35.4379 95.7281 GPRESSURE: 698400 -58.2521 0.500308 226.657 63.0775 213.907 27.9762 123.428 52.0624 111.961 PRESSAVG: 698400 -65.5625 -30.2519 29.3116 -30.2519 40.7682 -54.4873 29.3116 -54.4874 50.331 GPRESSAVG: 698400 -66.8596 -29.6169 26.853 -31.6589 41.2827 -53.9621 28.9477 -54.5999 51.2243 TIMING: 698400 CPU: 2096.91, 0.00301987/step Wall: 2096.91, 0.00301987/step, 3.60841 hours remaining, 210.222656 MB of memory in use. ENERGY: 698400 741.7562 2072.2276 1955.3996 108.4015 -206270.4604 17938.2172 0.0000 0.0000 34354.9176 -149099.5406 300.0300 -183454.4582 -149005.8077 300.2350 54.5931 89.2052 557346.9359 8.5123 8.5491 PRESSURE: 698600 189.026 -55.1758 30.2899 -55.176 -174.225 16.1988 30.2899 16.1982 32.0239 GPRESSURE: 698600 241.723 -16.0962 66.3026 34.7156 -133.252 25.4567 3.13265 -12.0388 31.0487 PRESSAVG: 698600 12.0798 20.5853 -11.3837 20.5853 -47.9612 -40.8862 -11.3836 -40.8862 53.7075 GPRESSAVG: 698600 13.4411 19.8954 -10.5127 23.9608 -48.2238 -41.2707 -11.4108 -40.4869 52.2809 TIMING: 698600 CPU: 2097.51, 0.00304431/step Wall: 2097.51, 0.00304431/step, 3.63744 hours remaining, 210.222656 MB of memory in use. ENERGY: 698600 758.2555 2107.0511 1891.5780 104.3125 -206452.0335 17928.2746 0.0000 0.0000 34548.5660 -149113.9958 301.7212 -183662.5618 -149017.9325 299.5306 15.6082 46.5065 557117.8174 5.9420 5.8328 PRESSURE: 698800 75.0053 33.0655 60.8853 33.0649 244.691 226.013 60.8874 226.012 84.4912 GPRESSURE: 698800 128.914 14.5854 41.9347 80.813 274.086 289.739 45.4017 134.26 97.2246 PRESSAVG: 698800 9.96631 29.1365 -24.3271 29.1365 71.5992 16.7177 -24.3272 16.7176 -75.2624 GPRESSAVG: 698800 9.49034 28.7626 -23.7253 27.6751 70.4183 17.2616 -25.1477 17.176 -73.7995 TIMING: 698800 CPU: 2098.12, 0.00302986/step Wall: 2098.12, 0.00302986/step, 3.62001 hours remaining, 210.222656 MB of memory in use. ENERGY: 698800 731.0205 2113.8674 1928.1833 104.8078 -206209.6204 18004.7647 0.0000 0.0000 34309.3377 -149017.6391 299.6320 -183326.9768 -148928.8126 298.7593 134.7292 166.7417 557104.9123 2.1010 2.0364 PRESSURE: 699000 -204.161 -155.46 -92.56 -155.461 317.261 122.113 -92.5597 122.114 -72.8423 GPRESSURE: 699000 -185.917 -55.3811 -85.939 -128.759 302.861 140.052 -98.3158 93.7238 14.2728 PRESSAVG: 699000 25.7597 -47.2253 -24.5643 -47.2254 24.9082 61.4807 -24.5643 61.4808 -34.5217 GPRESSAVG: 699000 24.775 -47.766 -25.8609 -47.9755 25.8592 60.6856 -24.5999 61.6059 -34.3197 TIMING: 699000 CPU: 2098.72, 0.00300584/step Wall: 2098.72, 0.00300584/step, 3.59115 hours remaining, 210.222656 MB of memory in use. ENERGY: 699000 738.2252 2061.7131 1907.3032 105.8618 -206127.9653 17739.8473 0.0000 0.0000 34303.9255 -149271.0893 299.5847 -183575.0148 -149180.7328 298.8025 13.4190 43.7391 557182.8312 5.3821 5.4382 PRESSURE: 699200 191.797 -33.4619 -108.373 -33.4616 291.105 29.2505 -108.373 29.249 201.925 GPRESSURE: 699200 217.531 46.5531 -79.1611 -131.76 332.448 12.6498 -162.803 26.1203 229.153 PRESSAVG: 699200 73.6742 -11.302 -25.2337 -11.302 -14.8129 53.8456 -25.2336 53.8456 -41.0906 GPRESSAVG: 699200 73.8341 -11.0456 -25.2994 -10.7893 -14.1969 54.9542 -23.8675 53.8271 -41.9211 TIMING: 699200 CPU: 2099.32, 0.00299675/step Wall: 2099.32, 0.00299675/step, 3.58012 hours remaining, 210.222656 MB of memory in use. ENERGY: 699200 697.3835 2032.4728 1918.4588 113.8512 -206425.4778 17917.0800 0.0000 0.0000 34280.7219 -149465.5096 299.3821 -183746.2314 -149374.4861 298.5753 228.2754 259.7109 555984.5325 5.9235 5.9054 PRESSURE: 699400 -122.841 76.44 79.0721 76.4398 -161.173 177.37 79.0715 177.369 -151.767 GPRESSURE: 699400 -136.545 25.4248 67.866 24.7759 -101.928 163.845 -15.6605 207.719 -97.4112 PRESSAVG: 699400 -22.1204 -13.6111 7.7351 -13.6111 26.8325 6.85105 7.73506 6.85101 22.3026 GPRESSAVG: 699400 -22.4731 -13.8245 8.52076 -16.6789 26.6315 7.08025 8.5215 7.0009 22.5184 TIMING: 699400 CPU: 2099.92, 0.00299593/step Wall: 2099.92, 0.00299593/step, 3.57897 hours remaining, 210.222656 MB of memory in use. ENERGY: 699400 713.0391 2051.4047 1957.1666 113.8784 -206101.5261 17678.6529 0.0000 0.0000 34279.1859 -149308.1986 299.3687 -183587.3845 -149211.2322 298.8076 -145.2605 -111.9616 556954.5576 9.0049 8.8923 PRESSURE: 699600 264.69 -196.445 145.502 -196.446 -69.4116 -50.6082 145.503 -50.608 2.60016 GPRESSURE: 699600 274.329 -121.585 122.184 -228.539 -11.4082 -27.9096 163.587 -74.7964 21.7489 PRESSAVG: 699600 55.7228 -21.6915 -9.03061 -21.6914 9.82605 45.4297 -9.03063 45.4297 -7.97492 GPRESSAVG: 699600 57.5253 -24.1328 -8.64408 -18.3309 8.13479 45.0812 -9.5005 45.258 -8.34614 TIMING: 699600 CPU: 2100.52, 0.00299061/step Wall: 2100.52, 0.00299061/step, 3.57245 hours remaining, 210.222656 MB of memory in use. ENERGY: 699600 763.1326 2072.5103 1928.1292 96.2480 -206320.5722 17866.5557 0.0000 0.0000 34343.8102 -149250.1863 299.9330 -183593.9965 -149157.1607 299.0801 65.9596 94.8899 557001.0388 19.1913 19.1047 PRESSURE: 699800 -41.0794 -225.352 -14.1346 -225.352 122.614 59.3604 -14.1356 59.3608 -196.25 GPRESSURE: 699800 -15.3776 -193.159 37.7658 -225.329 134.134 42.8929 5.08248 7.97075 -143.396 PRESSAVG: 699800 -42.5799 -14.8735 16.6409 -14.8734 -22.3517 36.6155 16.641 36.6155 -1.68996 GPRESSAVG: 699800 -43.8238 -11.2525 17.087 -16.2596 -21.415 36.8488 18.4593 37.2719 -1.46454 TIMING: 699800 CPU: 2101.12, 0.00301025/step Wall: 2101.12, 0.00301025/step, 3.59574 hours remaining, 210.222656 MB of memory in use. ENERGY: 699800 758.3092 2100.9415 1946.6295 119.8394 -206504.7755 17886.0676 0.0000 0.0000 34169.0654 -149523.9228 298.4069 -183692.9883 -149426.2260 298.8146 -38.2386 -8.2132 557666.9366 -22.2072 -22.2344 PRESSURE: 700000 -36.3775 41.5676 66.1342 41.5691 -3.78027 120.634 66.1354 120.634 -28.517 GPRESSURE: 700000 -4.11637 6.71955 83.7745 55.958 24.3351 205.692 -74.2496 53.1438 19.3616 PRESSAVG: 700000 -26.6449 -18.5687 -12.6469 -18.5687 10.3314 13.1908 -12.6469 13.1909 3.03638 GPRESSAVG: 700000 -27.256 -21.1756 -12.2385 -17.9132 11.1387 12.601 -14.6821 14.0118 2.30537 TIMING: 700000 CPU: 2101.72, 0.00301779/step Wall: 2101.72, 0.00301779/step, 3.60458 hours remaining, 210.222656 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: 700000 770.5634 2070.9544 1921.0632 116.3094 -206141.8176 17782.7053 0.0000 0.0000 33991.1032 -149489.1187 296.8528 -183480.2220 -149396.7873 297.8083 -22.8916 13.1934 555924.6105 -4.4257 -4.6040 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 700000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 700000 WRITING COORDINATES TO RESTART FILE AT STEP 700000 FINISHED WRITING RESTART COORDINATES The last position output (seq=700000) takes 0.010 seconds, 210.223 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 700200 12.0088 48.5273 -14.7406 48.5282 -112.24 -46.3025 -14.7403 -46.3014 162.837 GPRESSURE: 700200 66.2255 90.7001 17.4876 126.257 -59.8513 -51.8912 -112.065 -28.3178 127.972 PRESSAVG: 700200 -2.33509 -9.93208 -17.6027 -9.93217 7.58937 35.2878 -17.6027 35.2879 33.1097 GPRESSAVG: 700200 -1.61554 -7.01276 -17.333 -10.4257 6.91224 34.697 -17.7259 34.8212 33.1995 TIMING: 700200 CPU: 2102.34, 0.00310574/step Wall: 2102.34, 0.00310574/step, 3.70946 hours remaining, 210.222656 MB of memory in use. ENERGY: 700200 739.9438 2044.2977 1907.9049 109.6831 -206172.1561 17652.2725 0.0000 0.0000 34343.1478 -149374.9063 299.9273 -183718.0541 -149273.3422 299.1726 20.8686 44.7822 555743.6038 12.7880 12.8321 LDB: ============= START OF LOAD BALANCING ============== 2105.86 LDB: ============== END OF LOAD BALANCING =============== 2105.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2105.87 LDB: ============= START OF LOAD BALANCING ============== 2106.17 LDB: Largest compute 4800 load 0.024638 is 20.9% of average load 0.117971 LDB: Average compute 0.001728 is 1.5% of average load 0.117971 LDB: TIME 2106.17 LOAD: AVG 0.117971 MAX 0.213726 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.25 MB LDB: TIME 2106.17 LOAD: AVG 0.117971 MAX 0.213726 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.453 MB LDB: TIME 2106.17 LOAD: AVG 0.117971 MAX 0.213726 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.453 MB LDB: ============== END OF LOAD BALANCING =============== 2106.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2106.18 PRESSURE: 700400 -211.934 -227.373 -22.8961 -227.374 96.9269 43.8279 -22.8968 43.8288 -175.436 GPRESSURE: 700400 -201.266 -255.362 -108.964 -211.152 127.615 94.8083 61.7777 73.9783 -133.781 PRESSAVG: 700400 71.2634 -11.8115 -29.9857 -11.8115 51.9265 -1.05384 -29.9856 -1.05381 -55.2144 GPRESSAVG: 700400 70.2177 -11.4127 -31.8222 -13.7634 51.6982 3.03578 -29.2444 -3.62376 -54.0709 TIMING: 700400 CPU: 2102.96, 0.00307857/step Wall: 2102.96, 0.00307857/step, 3.67684 hours remaining, 208.273438 MB of memory in use. ENERGY: 700400 715.9388 2018.9899 1925.8685 105.3626 -205934.5837 17511.0437 0.0000 0.0000 34195.5694 -149461.8108 298.6384 -183657.3802 -149363.3296 298.6330 -96.8143 -69.1443 557041.2447 22.6585 22.6150 PRESSURE: 700600 48.8008 -124.827 95.6218 -124.827 -47.4418 -74.5477 95.6234 -74.5472 -206.496 GPRESSURE: 700600 102.269 -187.613 110.973 -64.8557 -43.3655 -140.77 76.659 -75.7745 -164.084 PRESSAVG: 700600 -12.439 -26.7111 -10.6901 -26.7111 79.7155 -9.36393 -10.69 -9.36376 -60.4689 GPRESSAVG: 700600 -12.3824 -28.0257 -9.34166 -26.3665 80.4274 -12.2675 -10.6154 -6.64627 -61.289 TIMING: 700600 CPU: 2103.57, 0.00303484/step Wall: 2103.57, 0.00303484/step, 3.62444 hours remaining, 208.476562 MB of memory in use. ENERGY: 700600 687.4962 2071.1235 1920.0913 113.8400 -206243.1784 17818.0556 0.0000 0.0000 34125.1692 -149507.4026 298.0236 -183632.5718 -149412.9232 298.6904 -68.3789 -35.0600 557763.2561 2.2692 2.2520 PRESSURE: 700800 -153.078 -127.585 121.985 -127.584 -110.841 10.6696 121.985 10.6703 204.162 GPRESSURE: 700800 -137.811 -176.359 28.5627 -71.0992 5.15587 -39.5753 127.189 44.2312 175.597 PRESSAVG: 700800 11.5945 -10.8593 52.971 -10.8593 -8.1129 14.5693 52.971 14.5693 4.22082 GPRESSAVG: 700800 11.7168 -10.2145 53.3904 -8.56231 -8.12284 13.5294 54.059 13.1738 3.61423 TIMING: 700800 CPU: 2104.17, 0.00299809/step Wall: 2104.17, 0.00299809/step, 3.58039 hours remaining, 208.476562 MB of memory in use. ENERGY: 700800 735.3982 2084.2868 1907.5643 105.0842 -206282.4821 17755.5803 0.0000 0.0000 34048.8646 -149645.7038 297.3572 -183694.5683 -149553.7103 298.2635 -19.9190 14.3142 555906.0598 2.5675 2.4027 PRESSURE: 701000 51.4699 -73.5579 34.852 -73.5579 -45.5142 -21.8898 34.8521 -21.8907 -118.105 GPRESSURE: 701000 89.9481 -87.9834 106.731 -100.444 -51.8017 34.2629 -20.5932 -14.2049 -43.6972 PRESSAVG: 701000 -10.946 13.6342 18.7388 13.6342 -16.309 23.4971 18.7389 23.4969 -8.03208 GPRESSAVG: 701000 -10.6903 13.826 17.731 12.3373 -16.8831 24.6357 16.0572 24.2572 -7.70578 TIMING: 701000 CPU: 2104.77, 0.00301431/step Wall: 2104.77, 0.00301431/step, 3.59959 hours remaining, 208.476562 MB of memory in use. ENERGY: 701000 721.0699 2095.7802 1949.7367 115.0843 -206319.7160 17781.2553 0.0000 0.0000 34170.2490 -149486.5406 298.4173 -183656.7897 -149387.4767 297.8514 -37.3831 -1.8503 556458.9893 -11.7623 -11.7598 PRESSURE: 701200 -211.407 -69.3959 -156.336 -69.3963 91.2892 -0.428211 -156.337 -0.427647 -26.6599 GPRESSURE: 701200 -169.736 -28.2647 -115.272 -78.649 113.794 -16.6798 -61.429 -7.33089 13.9539 PRESSAVG: 701200 24.451 0.950604 4.32038 0.950524 34.5419 41.3229 4.32048 41.3229 -25.9232 GPRESSAVG: 701200 23.8447 -0.570128 3.01872 2.21549 35.3679 42.0656 5.98771 40.623 -26.1611 TIMING: 701200 CPU: 2105.38, 0.00303269/step Wall: 2105.38, 0.00303269/step, 3.62137 hours remaining, 208.476562 MB of memory in use. ENERGY: 701200 708.3575 2044.9114 1923.5267 121.2052 -206432.6064 17653.3041 0.0000 0.0000 34321.3847 -149659.9168 299.7372 -183981.3015 -149565.9038 298.1390 -48.9258 -13.9962 556091.0803 11.0232 11.0172 PRESSURE: 701400 -70.3954 88.9222 9.47023 88.9242 -110.672 -155.59 9.46932 -155.591 129.073 GPRESSURE: 701400 -6.36654 -41.5054 29.3747 113.415 -122.609 -123.3 -0.327891 -177.514 168.639 PRESSAVG: 701400 -4.3027 -18.7178 -24.4653 -18.7178 8.59434 39.3497 -24.4652 39.3497 -0.221539 GPRESSAVG: 701400 -4.46621 -19.2318 -22.3036 -18.0451 8.26771 39.2157 -27.2082 36.4118 -0.597001 TIMING: 701400 CPU: 2105.98, 0.00303863/step Wall: 2105.98, 0.00303863/step, 3.62829 hours remaining, 208.476562 MB of memory in use. ENERGY: 701400 762.2863 2078.8914 1925.1256 115.1472 -206475.2280 17785.3877 0.0000 0.0000 34137.3295 -149671.0602 298.1298 -183808.3897 -149573.3402 298.5460 -17.3315 13.2210 556787.7193 1.3567 1.0682 PRESSURE: 701600 82.7195 32.4191 -56.548 32.4202 -477.233 94.2693 -56.547 94.2699 -169 GPRESSURE: 701600 50.6769 72.5527 -50.8201 37.4913 -378.955 169.653 -128.004 56.9353 -141.853 PRESSAVG: 701600 -5.54227 -62.3676 6.18547 -62.3675 -10.1656 -35.4017 6.18539 -35.4016 54.8144 GPRESSAVG: 701600 -5.32224 -61.2581 5.83086 -64.1909 -10.944 -36.1547 6.98449 -32.3377 54.7561 TIMING: 701600 CPU: 2106.6, 0.00307595/step Wall: 2106.6, 0.00307595/step, 3.67268 hours remaining, 208.476562 MB of memory in use. ENERGY: 701600 790.2498 2096.6927 1936.5183 113.2287 -206125.7404 17685.4061 0.0000 0.0000 33855.7948 -149647.8501 295.6711 -183503.6449 -149550.2377 298.1332 -187.8376 -156.7106 558302.0061 13.0355 12.8300 PRESSURE: 701800 -377.46 19.4749 -75.8195 19.4741 -129.773 -110.71 -75.8187 -110.71 -319.08 GPRESSURE: 701800 -297.204 7.84197 -68.9242 -7.15141 -124.496 -182.466 -9.54556 -96.8571 -303.863 PRESSAVG: 701800 -13.0725 6.11865 -19.8419 6.1187 -4.90751 -39.8253 -19.8419 -39.8252 10.0752 GPRESSAVG: 701800 -13.7792 5.8136 -17.2139 7.07643 -4.90548 -39.4446 -22.3678 -40.9756 10.398 TIMING: 701800 CPU: 2107.21, 0.00304313/step Wall: 2107.21, 0.00304313/step, 3.63332 hours remaining, 208.476562 MB of memory in use. ENERGY: 701800 744.0745 2095.8697 1965.0466 115.2764 -206229.2290 17506.6825 0.0000 0.0000 34240.0963 -149562.1831 299.0273 -183802.2795 -149459.7828 297.6970 -275.4378 -241.8547 558833.4052 -2.6349 -2.7622 PRESSURE: 702000 231.423 -2.42103 14.3857 -2.42162 277.891 -41.5473 14.3855 -41.5473 115.951 GPRESSURE: 702000 290.665 -82.0402 12.8476 60.661 302.249 -96.8785 -87.0351 -20.1572 124.36 PRESSAVG: 702000 -12.0032 19.3931 55.9317 19.3932 21.3506 -48.4484 55.9318 -48.4485 -76.0676 GPRESSAVG: 702000 -10.9427 20.6137 54.4897 19.9565 21.0966 -49.7443 57.1936 -48.5514 -76.4926 TIMING: 702000 CPU: 2107.82, 0.00306801/step Wall: 2107.82, 0.00306801/step, 3.66286 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: 702000 759.7837 2097.0358 1949.3516 108.8849 -206731.2049 18289.7765 0.0000 0.0000 34063.2182 -149463.1542 297.4826 -183526.3725 -149365.3797 298.5334 208.4215 239.0913 556227.2855 -22.2401 -22.1129 PRESSURE: 702200 224.665 126.366 -9.37304 126.366 -19.0718 81.8834 -9.3727 81.8834 -26.4685 GPRESSURE: 702200 164.483 117.283 -34.5525 109.866 98.5904 -0.307751 -123.416 71.6188 25.4608 PRESSAVG: 702200 0.817703 -28.3983 26.8612 -28.3984 -2.4377 -3.90041 26.8611 -3.90032 3.07611 GPRESSAVG: 702200 0.38466 -30.2736 26.4258 -30.7618 -2.37515 -2.78221 27.2704 -3.10991 3.31058 TIMING: 702200 CPU: 2108.43, 0.0030423/step Wall: 2108.43, 0.0030423/step, 3.63199 hours remaining, 208.476562 MB of memory in use. ENERGY: 702200 757.9971 2091.4969 1964.6050 110.8637 -206374.8329 17818.7951 0.0000 0.0000 34216.9381 -149414.1370 298.8250 -183631.0751 -149312.8344 299.1687 59.7082 96.1782 556132.2754 0.4854 0.4400 PRESSURE: 702400 -158.853 48.1854 178.822 48.1857 -191.115 283.088 178.82 283.089 105.565 GPRESSURE: 702400 -118.948 21.3479 221.27 104.984 -175.364 265.439 100.201 350.518 148.12 PRESSAVG: 702400 7.81214 11.904 95.9184 11.904 38.6668 14.3048 95.9185 14.3048 -23.1861 GPRESSAVG: 702400 6.85742 13.6534 97.8452 12.5264 38.2044 12.8924 95.6874 17.2508 -22.4306 TIMING: 702400 CPU: 2109.04, 0.00306817/step Wall: 2109.04, 0.00306817/step, 3.66271 hours remaining, 208.476562 MB of memory in use. ENERGY: 702400 729.5800 2098.7476 1921.0687 112.8896 -206062.4350 17558.8178 0.0000 0.0000 34301.4992 -149339.8321 299.5635 -183641.3313 -149235.4644 299.0971 -81.4678 -48.7305 556724.3425 7.7643 7.5438 PRESSURE: 702600 11.0425 -3.82794 -39.46 -3.8275 -50.5248 -105.214 -39.4594 -105.212 -256.155 GPRESSURE: 702600 57.7814 -77.1449 -43.4641 34.4657 -8.95787 -120.066 24.4069 -138.192 -245.099 PRESSAVG: 702600 23.3196 -11.4229 10.2605 -11.4228 77.7026 18.3462 10.2606 18.3461 -46.6978 GPRESSAVG: 702600 24.4074 -11.2431 8.73364 -12.1204 78.6572 21.8124 11.8933 14.6657 -48.1632 TIMING: 702600 CPU: 2109.65, 0.00303637/step Wall: 2109.65, 0.00303637/step, 3.62458 hours remaining, 208.476562 MB of memory in use. ENERGY: 702600 785.8535 2108.7574 1941.0928 111.4108 -205799.7462 17509.3625 0.0000 0.0000 34219.9533 -149123.3159 298.8514 -183343.2692 -149027.0513 299.6173 -98.5457 -65.4253 556933.5732 18.1082 18.3005 PRESSURE: 702800 83.9412 87.7993 88.3081 87.7978 -134.493 -118.377 88.3086 -118.377 -161.142 GPRESSURE: 702800 30.1649 164.458 47.7112 -27.235 -46.1738 -82.6506 -35.6975 -159.596 -113.296 PRESSAVG: 702800 33.1753 -3.66107 45.5256 -3.66105 41.5073 -27.3575 45.5257 -27.3575 -65.0549 GPRESSAVG: 702800 30.8736 -4.82003 45.2634 -2.89652 42.4281 -30.4391 45.3902 -24.7567 -63.7339 TIMING: 702800 CPU: 2110.27, 0.00307517/step Wall: 2110.27, 0.00307517/step, 3.67073 hours remaining, 208.476562 MB of memory in use. ENERGY: 702800 772.5898 2053.2168 1942.5291 109.2841 -205817.2734 17564.7038 0.0000 0.0000 34141.6653 -149233.2845 298.1677 -183374.9498 -149137.3701 299.3221 -70.5647 -43.1016 556351.0281 3.2092 3.1893 PRESSURE: 703000 -36.7284 15.4205 32.0592 15.4203 -41.3474 -121.358 32.0583 -121.359 -18.4567 GPRESSURE: 703000 3.89538 -32.0204 37.6971 27.9567 -63.5316 -101.732 -22.2088 -79.2312 48.4995 PRESSAVG: 703000 8.23474 45.7861 76.1768 45.7861 59.5748 -16.5663 76.1768 -16.5664 -66.335 GPRESSAVG: 703000 10.4205 43.5007 76.1683 46.7875 57.4534 -15.5305 74.2608 -18.9578 -65.6564 TIMING: 703000 CPU: 2110.87, 0.00304123/step Wall: 2110.87, 0.00304123/step, 3.63004 hours remaining, 208.476562 MB of memory in use. ENERGY: 703000 771.1933 2078.6522 1940.0121 118.5940 -206036.8825 17587.1430 0.0000 0.0000 34302.7997 -149238.4883 299.5749 -183541.2880 -149140.4774 299.4481 -32.1775 -3.7122 557191.5344 0.4915 0.7392 PRESSURE: 703200 -70.4129 -59.9501 -79.5175 -59.9493 290.348 -20.1689 -79.5171 -20.1682 363.506 GPRESSURE: 703200 -60.2627 -117.583 -126.722 -84.9253 319.507 -20.3295 -39.5415 -49.1987 420.019 PRESSAVG: 703200 49.7467 -11.0511 4.18124 -11.051 24.4106 18.8532 4.18113 18.8532 -83.383 GPRESSAVG: 703200 48.986 -10.0186 4.16458 -11.6523 25.2965 18.655 5.76019 20.9963 -83.7943 TIMING: 703200 CPU: 2111.48, 0.00304813/step Wall: 2111.48, 0.00304813/step, 3.63811 hours remaining, 208.476562 MB of memory in use. ENERGY: 703200 710.0641 2169.4170 1923.2599 122.8767 -206475.1989 17992.9519 0.0000 0.0000 34545.2345 -149011.3948 301.6921 -183556.6293 -148905.7103 299.8272 194.4802 226.4211 556318.5831 -3.0753 -3.1706 PRESSURE: 703400 -42.0631 36.7628 87.6059 36.7628 -150.108 65.0282 87.6069 65.0264 -92.2128 GPRESSURE: 703400 29.5979 -35.08 161.484 9.64536 -96.3712 77.8945 35.8492 -4.94569 -131.394 PRESSAVG: 703400 -13.3072 -44.8002 20.292 -44.8002 60.2575 3.21821 20.292 3.21836 -18.8794 GPRESSAVG: 703400 -12.1755 -45.7496 19.2222 -42.6299 58.9585 2.97366 19.1787 1.12831 -18.6999 TIMING: 703400 CPU: 2112.09, 0.00302007/step Wall: 2112.09, 0.00302007/step, 3.60445 hours remaining, 208.476562 MB of memory in use. ENERGY: 703400 768.3584 2094.6062 1967.0557 122.6614 -205996.7320 17671.4797 0.0000 0.0000 34326.1592 -149046.4114 299.7789 -183372.5706 -148948.7324 300.2288 -94.7947 -66.0556 558521.8542 9.3569 9.3610 PRESSURE: 703600 -264.929 24.469 36.0112 24.4692 25.5957 73.737 36.0126 73.7377 -468.725 GPRESSURE: 703600 -271.602 55.9325 -33.2621 75.5788 66.0539 201.166 -5.48856 36.2493 -405.348 PRESSAVG: 703600 33.7209 20.4195 12.0205 20.4196 23.2839 29.1421 12.0205 29.1421 -54.4843 GPRESSAVG: 703600 34.0949 22.684 14.0257 17.3023 23.4793 28.6563 12.2544 29.7372 -54.3327 TIMING: 703600 CPU: 2112.69, 0.0030238/step Wall: 2112.69, 0.0030238/step, 3.60873 hours remaining, 208.476562 MB of memory in use. ENERGY: 703600 787.1582 2068.8824 1938.2577 115.8048 -206072.1238 17735.8021 0.0000 0.0000 34361.2343 -149064.9843 300.0852 -183426.2187 -148956.0323 300.4111 -236.0196 -203.6320 559348.0507 0.8402 1.0805 PRESSURE: 703800 170.054 238.74 113.742 238.741 186.056 26.8575 113.742 26.8587 179.877 GPRESSURE: 703800 210.366 258.616 72.5719 217.747 217.722 108.435 129.293 -37.3285 203.262 PRESSAVG: 703800 -30.0075 64.5632 10.6355 64.5631 10.2161 30.0963 10.6355 30.0962 -35.5207 GPRESSAVG: 703800 -30.5006 64.0288 6.99752 66.397 11.6369 32.4689 14.5085 28.9094 -36.2427 TIMING: 703800 CPU: 2113.3, 0.00303332/step Wall: 2113.3, 0.00303332/step, 3.61993 hours remaining, 208.476562 MB of memory in use. ENERGY: 703800 741.9029 2051.1999 1945.5370 116.3655 -206543.1791 18162.5319 0.0000 0.0000 34352.9344 -149172.7075 300.0127 -183525.6420 -149080.8889 300.0450 178.6626 210.4497 556562.8732 -18.4374 -18.3688 PRESSURE: 704000 -22.0726 -14.1378 -12.4048 -14.1376 -0.155118 153.659 -12.404 153.658 -81.2417 GPRESSURE: 704000 42.4589 28.5506 47.3008 -78.7254 48.4553 125.872 -85.8433 200.009 -88.6364 PRESSAVG: 704000 -52.6495 47.6383 -32.7695 47.6383 28.3266 -0.66732 -32.7694 -0.667366 -3.96278 GPRESSAVG: 704000 -52.7986 48.3918 -30.0639 46.1771 28.4819 -0.840708 -34.0717 1.34275 -4.0456 TIMING: 704000 CPU: 2113.91, 0.00302898/step Wall: 2113.91, 0.00302898/step, 3.61458 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: 704000 770.7982 2094.9741 1937.8545 108.6411 -205903.8156 17743.5511 0.0000 0.0000 34138.5995 -149109.3971 298.1409 -183247.9966 -149012.9663 299.5350 -34.4898 0.7593 557817.9883 -9.4286 -9.4541 PRESSURE: 704200 24.0414 1.33885 -5.77852 1.33818 -100.047 25.639 -5.7788 25.6387 -339.552 GPRESSURE: 704200 5.80066 31.056 -11.5258 21.2829 -35.5228 -44.94 -2.37981 -53.0506 -284.307 PRESSAVG: 704200 -5.02616 75.8197 11.3224 75.8198 60.7623 16.0093 11.3224 16.0094 -58.0721 GPRESSAVG: 704200 -4.84991 77.1859 10.4173 77.5277 60.2108 14.1497 10.3922 13.5549 -57.4935 TIMING: 704200 CPU: 2114.51, 0.00304382/step Wall: 2114.51, 0.00304382/step, 3.63212 hours remaining, 208.476562 MB of memory in use. ENERGY: 704200 769.1065 2066.5038 1962.5552 112.6712 -205991.1218 17721.6255 0.0000 0.0000 34225.1628 -149133.4968 298.8969 -183358.6596 -149035.9864 298.8469 -138.5191 -104.6763 558110.3437 -0.7787 -0.7109 LDB: ============= START OF LOAD BALANCING ============== 2118.03 LDB: ============== END OF LOAD BALANCING =============== 2118.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2118.03 LDB: ============= START OF LOAD BALANCING ============== 2118.33 LDB: Largest compute 4794 load 0.024516 is 20.8% of average load 0.117930 LDB: Average compute 0.001719 is 1.5% of average load 0.117930 LDB: TIME 2118.33 LOAD: AVG 0.11793 MAX 0.211466 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.512 MB LDB: TIME 2118.34 LOAD: AVG 0.11793 MAX 0.211466 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.582 MB LDB: TIME 2118.34 LOAD: AVG 0.11793 MAX 0.211466 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.582 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2118.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2118.34 PRESSURE: 704400 119.724 -89.5013 35.401 -89.5009 370.344 -55.1477 35.4014 -55.1462 -11.0327 GPRESSURE: 704400 92.6214 -91.0917 37.9141 -128.981 418.919 -63.6436 -34.3206 -99.5675 81.1598 PRESSAVG: 704400 -9.28679 -1.1597 78.8709 -1.15983 10.134 -15.6774 78.8709 -15.6774 -33.0513 GPRESSAVG: 704400 -9.2067 -1.73628 77.5929 -5.21837 11.0229 -12.2791 79.7913 -15.2556 -33.8783 TIMING: 704400 CPU: 2115.13, 0.00305596/step Wall: 2115.13, 0.00305596/step, 3.64644 hours remaining, 207.703125 MB of memory in use. ENERGY: 704400 762.2452 2069.2268 1954.9437 112.0259 -206496.4899 18198.2390 0.0000 0.0000 34154.6667 -149245.1426 298.2812 -183399.8093 -149151.1624 299.1216 159.6783 197.5666 557565.3667 -10.7347 -10.6874 PRESSURE: 704600 -172.842 -176.671 36.6883 -176.672 58.6797 6.65238 36.6898 6.65225 -58.0322 GPRESSURE: 704600 -86.5209 -125.86 49.6467 -201.725 126.43 102.515 63.8848 -61.9418 -115.65 PRESSAVG: 704600 26.6683 -55.6264 51.3295 -55.6263 31.9494 18.9633 51.3296 18.9633 -69.3804 GPRESSAVG: 704600 25.9266 -57.1056 54.0994 -52.5259 31.8261 18.5092 50.1863 22.5851 -68.8278 TIMING: 704600 CPU: 2115.73, 0.00300303/step Wall: 2115.73, 0.00300303/step, 3.58311 hours remaining, 207.703125 MB of memory in use. ENERGY: 704600 698.6210 2139.2362 1978.4130 110.5813 -205799.0108 17506.9911 0.0000 0.0000 34295.8691 -149069.2991 299.5144 -183365.1681 -148974.7384 299.6726 -57.3981 -25.2467 558928.5328 -3.5876 -3.6917 PRESSURE: 704800 2.87998 208.753 120.213 208.754 59.7917 178.252 120.213 178.252 -21.2093 GPRESSURE: 704800 -27.6832 134.052 140.332 240.16 112.232 44.4789 27.847 163.339 42.3523 PRESSAVG: 704800 -4.62748 27.591 -51.4765 27.591 36.5499 -10.1913 -51.4764 -10.1914 -34.0603 GPRESSAVG: 704800 -4.52912 26.2204 -50.908 28.9214 36.822 -11.2436 -51.8573 -11.828 -34.9926 TIMING: 704800 CPU: 2116.33, 0.00301749/step Wall: 2116.33, 0.00301749/step, 3.6002 hours remaining, 207.703125 MB of memory in use. ENERGY: 704800 714.6576 2092.0083 1935.5596 102.5084 -206000.1057 17643.7709 0.0000 0.0000 34396.5063 -149115.0946 300.3932 -183511.6008 -149012.3040 300.3273 13.8208 42.3005 557527.7077 -0.7126 -0.8999 PRESSURE: 705000 189.349 178.683 14.0876 178.682 429.919 25.9352 14.0874 25.9362 53.2941 GPRESSURE: 705000 195.125 178.309 21.6581 124.398 480.801 -12.2098 59.2756 -6.0852 100.69 PRESSAVG: 705000 -30.4648 -7.83123 -41.3369 -7.83121 46.0938 0.38227 -41.337 0.382144 3.51738 GPRESSAVG: 705000 -30.561 -6.70241 -43.0564 -8.56875 45.3198 0.358349 -39.3303 -0.713693 4.70746 TIMING: 705000 CPU: 2116.93, 0.00300408/step Wall: 2116.93, 0.00300408/step, 3.58403 hours remaining, 207.703125 MB of memory in use. ENERGY: 705000 787.4475 2101.9961 1928.7290 116.0415 -206492.2008 18250.6191 0.0000 0.0000 34438.6630 -148868.7045 300.7614 -183307.3676 -148780.1800 299.9667 224.1874 258.8723 557097.0553 6.3821 6.4888 PRESSURE: 705200 33.9151 16.6632 -19.2164 16.6637 125.474 69.3066 -19.2158 69.3056 64.8676 GPRESSURE: 705200 78.5626 23.0282 -87.911 -10.5259 129.555 68.4826 -16.5174 66.8625 113.484 PRESSAVG: 705200 -25.7996 27.2269 -16.5078 27.2268 -26.7845 -29.9158 -16.5079 -29.9159 24.074 GPRESSAVG: 705200 -25.1413 30.0919 -14.4709 27.2423 -26.5051 -29.1391 -18.291 -30.0356 23.4323 TIMING: 705200 CPU: 2117.53, 0.0030023/step Wall: 2117.53, 0.0030023/step, 3.58174 hours remaining, 207.703125 MB of memory in use. ENERGY: 705200 731.2840 2073.3562 1936.5944 97.1161 -205978.4847 17808.1169 0.0000 0.0000 34404.2409 -148927.7762 300.4608 -183332.0171 -148830.5405 300.2882 74.7523 107.2004 557130.6919 -9.5034 -9.4047 PRESSURE: 705400 80.4362 146.911 136.283 146.911 -92.185 82.7096 136.281 82.7103 59.0899 GPRESSURE: 705400 102.624 196.914 90.9138 169.049 10.0425 119.816 182.688 25.1108 32.4628 PRESSAVG: 705400 -13.933 10.0559 35.2454 10.0559 34.075 48.9694 35.2454 48.9694 -5.60036 GPRESSAVG: 705400 -14.3782 8.24813 32.1227 9.06781 35.4819 49.2285 35.2327 49.1681 -6.28251 TIMING: 705400 CPU: 2118.13, 0.00301035/step Wall: 2118.13, 0.00301035/step, 3.59118 hours remaining, 207.703125 MB of memory in use. ENERGY: 705400 729.8405 2103.2472 1910.0810 114.3196 -206204.5873 17890.8452 0.0000 0.0000 34545.2076 -148911.0463 301.6919 -183456.2539 -148810.9585 299.7438 15.7804 48.3765 556655.4042 4.8472 4.9404 PRESSURE: 705600 45.4413 -110.979 227.217 -110.979 92.6297 -78.5393 227.216 -78.5408 -74.7996 GPRESSURE: 705600 103.898 -2.85701 151.319 -152.893 136.083 -55.8235 167.834 -95.5705 -89.1676 PRESSAVG: 705600 -20.9801 3.23931 16.1697 3.23928 -37.4522 49.9512 16.1697 49.9511 61.6147 GPRESSAVG: 705600 -20.9594 5.27261 16.0292 1.9875 -38.7395 48.6346 17.3267 51.233 62.3281 TIMING: 705600 CPU: 2118.74, 0.00301785/step Wall: 2118.74, 0.00301785/step, 3.59995 hours remaining, 207.703125 MB of memory in use. ENERGY: 705600 722.6026 2067.6784 1947.6864 103.7230 -205797.1346 17754.4052 0.0000 0.0000 34323.7818 -148877.2572 299.7581 -183201.0391 -148782.2971 300.0455 21.0905 50.2711 556976.3277 1.0608 0.8764 PRESSURE: 705800 20.3395 -39.0821 195.179 -39.0819 -229.182 -4.64732 195.18 -4.64733 -98.3111 GPRESSURE: 705800 6.57893 -18.669 205.591 37.0907 -212.105 4.61591 89.8544 -38.4039 -0.764782 PRESSAVG: 705800 -36.3174 -14.2974 29.1532 -14.2974 60.6904 23.9838 29.1532 23.9839 -9.78264 GPRESSAVG: 705800 -35.944 -18.5243 31.8659 -10.8753 60.382 25.7163 28.1845 23.4057 -9.42275 TIMING: 705800 CPU: 2119.35, 0.00304515/step Wall: 2119.35, 0.00304515/step, 3.63235 hours remaining, 207.703125 MB of memory in use. ENERGY: 705800 727.3215 2126.4865 1932.7501 114.4629 -205849.9235 17809.3746 0.0000 0.0000 34393.4505 -148746.0774 300.3666 -183139.5279 -148646.4066 300.3195 -102.3846 -68.7637 559969.2045 4.8635 5.0051 PRESSURE: 706000 -37.9711 -151.428 34.7367 -151.428 -198.575 -19.2754 34.7355 -19.2732 -208.811 GPRESSURE: 706000 -12.3654 -145.07 86.5128 -183.271 -176.833 55.9251 73.1261 -44.5375 -156.502 PRESSAVG: 706000 38.0617 25.558 2.31692 25.558 -45.028 37.6133 2.31692 37.6134 4.59829 GPRESSAVG: 706000 37.4919 26.6088 2.19394 22.9991 -46.0359 37.3822 1.13747 38.2542 6.15303 TIMING: 706000 CPU: 2119.96, 0.00305086/step Wall: 2119.96, 0.00305086/step, 3.639 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: 706000 743.4702 2113.0060 1937.0727 115.5831 -205626.6070 17661.1926 0.0000 0.0000 34350.3865 -148705.8960 299.9905 -183056.2825 -148612.0831 300.2894 -148.4525 -115.2336 559288.7608 -0.7893 -0.7970 PRESSURE: 706200 -66.4928 226.641 63.3276 226.641 -105.634 -10.5865 63.3268 -10.5851 18.8785 GPRESSURE: 706200 -29.455 236.706 20.0917 232.814 -75.1918 52.817 67.1529 -75.4066 60.2546 PRESSAVG: 706200 -17.1657 24.1438 -4.97764 24.1438 18.5811 12.9717 -4.97751 12.9717 3.96624 GPRESSAVG: 706200 -17.2402 25.8044 -4.65177 24.3476 19.3396 10.8791 -4.69454 14.2315 3.43339 TIMING: 706200 CPU: 2120.56, 0.00301646/step Wall: 2120.56, 0.00301646/step, 3.5978 hours remaining, 207.703125 MB of memory in use. ENERGY: 706200 771.6199 2030.0488 1965.1463 111.1460 -205701.7671 17773.0524 0.0000 0.0000 34349.3763 -148701.3774 299.9816 -183050.7537 -148603.7717 300.6432 -51.0828 -14.7974 557773.3893 1.7939 1.8443 PRESSURE: 706400 108.637 -66.9275 -4.73158 -66.9267 -231.598 -34.1779 -4.73243 -34.1782 -7.0113 GPRESSURE: 706400 88.085 -81.6704 107.591 -37.3581 -165.669 -36.0063 12.7723 -11.5469 33.9324 PRESSAVG: 706400 19.2878 -19.0535 -55.2317 -19.0535 -17.0111 37.1477 -55.2317 37.1479 -20.4282 GPRESSAVG: 706400 18.9421 -19.5034 -56.2675 -17.7181 -16.1534 39.2523 -55.1271 36.3349 -20.5772 TIMING: 706400 CPU: 2121.16, 0.00301197/step Wall: 2121.16, 0.00301197/step, 3.59227 hours remaining, 207.703125 MB of memory in use. ENERGY: 706400 732.8521 2100.8813 1945.2619 106.7635 -205314.4289 17410.4651 0.0000 0.0000 34321.1861 -148697.0189 299.7355 -183018.2051 -148600.0707 300.6412 -43.3240 -14.5504 557329.8902 -6.0505 -5.9295 PRESSURE: 706600 -236.756 -7.37166 -28.544 -7.37093 15.1693 -119.167 -28.5429 -119.167 -14.1422 GPRESSURE: 706600 -183.625 -20.3367 -35.4841 -53.5892 56.7393 -147.039 -33.5851 -133.75 -14.647 PRESSAVG: 706600 15.6462 -42.4479 -14.9757 -42.4479 37.6075 -69.67 -14.9757 -69.67 -26.8982 GPRESSAVG: 706600 15.8313 -43.3393 -15.5903 -42.6938 37.6836 -70.0611 -14.1155 -70.2813 -27.1352 TIMING: 706600 CPU: 2121.77, 0.0030282/step Wall: 2121.77, 0.0030282/step, 3.61147 hours remaining, 207.703125 MB of memory in use. ENERGY: 706600 729.3508 2054.9859 1944.0110 118.4378 -205251.1909 17486.8790 0.0000 0.0000 34207.0266 -148710.4998 298.7385 -182917.5264 -148614.8983 300.1122 -78.5762 -47.1774 556955.5479 8.7852 8.7932 PRESSURE: 706800 -75.7078 13.5116 -45.6616 13.5113 -292.145 -136.107 -45.6614 -136.108 -315.913 GPRESSURE: 706800 -103.51 14.8802 -39.3758 3.09732 -227.9 -148.512 -87.6477 -64.6565 -252.216 PRESSAVG: 706800 -19.5099 -17.9245 -5.36388 -17.9246 29.8943 -46.2169 -5.36395 -46.2169 -15.4388 GPRESSAVG: 706800 -18.9693 -16.9692 -3.0246 -17.8481 30.2547 -44.9091 -9.17821 -47.5888 -16.3106 TIMING: 706800 CPU: 2122.37, 0.00301148/step Wall: 2122.37, 0.00301148/step, 3.59136 hours remaining, 207.703125 MB of memory in use. ENERGY: 706800 729.0009 2074.0682 1932.2467 126.8723 -205071.7868 17349.4072 0.0000 0.0000 34290.6763 -148569.5151 299.4690 -182860.1914 -148464.5214 300.7622 -227.9219 -194.5419 558840.0142 -1.6848 -1.6750 PRESSURE: 707000 -14.8978 -18.8124 59.5359 -18.8138 -251.815 -54.2305 59.5356 -54.2305 -193.913 GPRESSURE: 707000 1.68363 -31.0998 107.836 7.39525 -208.107 -2.52449 56.0627 -76.1908 -149.323 PRESSAVG: 707000 -20.2224 -6.85423 -33.4207 -6.8542 1.30027 -33.217 -33.4206 -33.2169 5.83577 GPRESSAVG: 707000 -20.0931 -7.52095 -35.496 -6.3556 0.676424 -34.5702 -31.0296 -31.589 6.58908 TIMING: 707000 CPU: 2122.97, 0.00300012/step Wall: 2122.97, 0.00300012/step, 3.57765 hours remaining, 207.703125 MB of memory in use. ENERGY: 707000 766.8414 2043.0606 1944.4717 116.1825 -205789.2816 17624.7783 0.0000 0.0000 34454.0329 -148839.9141 300.8956 -183293.9471 -148741.0474 300.9494 -153.5419 -118.5819 557344.6259 -4.3621 -4.2759 PRESSURE: 707200 -89.7924 -91.7126 -41.9473 -91.7124 -10.129 67.3697 -41.9469 67.3687 -222.671 GPRESSURE: 707200 -82.5856 -72.8976 -35.9102 -63.1763 43.8244 42.8208 16.0265 75.8616 -197.619 PRESSAVG: 707200 20.2455 2.51252 47.1748 2.51261 4.34618 8.63923 47.1747 8.63917 -76.566 GPRESSAVG: 707200 20.1495 3.54681 46.6789 0.218732 4.65789 7.34582 47.6163 9.3495 -76.9963 TIMING: 707200 CPU: 2123.57, 0.00300466/step Wall: 2123.57, 0.00300466/step, 3.58289 hours remaining, 207.703125 MB of memory in use. ENERGY: 707200 753.6943 2114.0454 1934.0649 99.2235 -205735.6953 17728.0363 0.0000 0.0000 34453.7237 -148652.9073 300.8929 -183106.6309 -148553.6092 300.9824 -107.5306 -78.7935 558498.0574 -17.3248 -17.3963 PRESSURE: 707400 -138.557 9.11366 40.3545 9.11237 155.625 -40.5252 40.3546 -40.5256 -211.121 GPRESSURE: 707400 -185.009 -41.7683 51.8881 36.0894 189.445 -25.6927 56.4602 -24.748 -113.758 PRESSAVG: 707400 31.6833 -26.3123 20.999 -26.3123 -37.6696 -10.4738 20.999 -10.4738 -9.86773 GPRESSAVG: 707400 31.9149 -27.0811 21.8155 -24.4284 -37.6851 -9.42502 21.5537 -10.6422 -10.5434 TIMING: 707400 CPU: 2124.17, 0.00298969/step Wall: 2124.17, 0.00298969/step, 3.56487 hours remaining, 207.703125 MB of memory in use. ENERGY: 707400 744.2128 2071.6518 1932.1145 99.4468 -205748.5984 17730.7784 0.0000 0.0000 34485.1274 -148685.2666 301.1672 -183170.3940 -148587.2380 300.9162 -64.6844 -36.4405 558321.0812 -5.2847 -5.4379 PRESSURE: 707600 -79.8095 -158.803 -41.8427 -158.803 -138.73 -92.088 -41.8435 -92.0881 54.203 GPRESSURE: 707600 -94.7691 -142.481 -66.9637 -144.654 -106.158 -43.2959 -54.9482 -71.2352 145.428 PRESSAVG: 707600 51.7651 -4.665 23.3192 -4.66497 -17.3679 -15.1696 23.3192 -15.1698 -36.6138 GPRESSAVG: 707600 51.5544 -4.36672 21.9621 -4.2826 -17.5063 -13.1615 21.6708 -14.6897 -36.3417 TIMING: 707600 CPU: 2124.77, 0.00300384/step Wall: 2124.77, 0.00300384/step, 3.58157 hours remaining, 207.703125 MB of memory in use. ENERGY: 707600 737.7052 2125.2312 1911.3194 115.7411 -205908.9408 17803.3402 0.0000 0.0000 34453.7545 -148761.8493 300.8932 -183215.6037 -148665.6660 301.2999 -54.7788 -18.4998 559686.7639 -0.7389 -0.7645 PRESSURE: 707800 -177.626 -78.7817 22.6156 -78.7825 -34.3333 -47.8048 22.6154 -47.8062 -34.7538 GPRESSURE: 707800 -200.804 -94.4431 18.5728 -21.1562 43.7632 -58.986 27.4293 -2.06341 18.3402 PRESSAVG: 707800 52.9399 -67.6309 53.4663 -67.6309 -46.3538 25.76 53.4663 25.76 -15.627 GPRESSAVG: 707800 51.188 -66.3115 55.3245 -67.9267 -44.5677 23.3843 53.4695 25.5524 -15.6568 TIMING: 707800 CPU: 2125.38, 0.00306893/step Wall: 2125.38, 0.00306893/step, 3.65901 hours remaining, 207.703125 MB of memory in use. ENERGY: 707800 759.7734 2073.8016 1936.3941 116.7333 -206065.9726 17722.1796 0.0000 0.0000 34452.5576 -149004.5331 300.8828 -183457.0907 -148903.3565 300.4134 -82.2378 -46.2334 559016.1073 -3.0136 -3.0122 PRESSURE: 708000 35.9787 -75.6337 85.4111 -75.6323 -82.7728 -55.2716 85.411 -55.2726 60.8889 GPRESSURE: 708000 103.472 -108.601 82.4609 -2.6609 -82.6193 -40.8605 47.0111 -49.616 95.5595 PRESSAVG: 708000 29.5496 -21.6004 31.816 -21.6004 43.7039 -19.0627 31.8161 -19.0626 -45.0665 GPRESSAVG: 708000 30.9515 -23.7124 29.7733 -21.4593 41.8182 -17.7935 33.3308 -19.1282 -44.6172 TIMING: 708000 CPU: 2125.98, 0.00299974/step Wall: 2125.98, 0.00299974/step, 3.57636 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: 708000 739.5531 2146.0133 1942.5934 125.4457 -205876.0089 17732.3254 0.0000 0.0000 34473.3192 -148716.7588 301.0641 -183190.0780 -148618.0977 300.7724 4.6983 38.8041 558933.0864 9.3957 9.3842 PRESSURE: 708200 -113.461 -47.1234 -100.248 -47.1224 165.175 -73.039 -100.248 -73.0391 -35.5813 GPRESSURE: 708200 -56.8567 -95.3902 -58.6248 7.15942 204.348 -50.0389 -125.683 -72.2408 -34.4587 PRESSAVG: 708200 -2.27736 5.16146 -11.1895 5.16144 -50.369 -56.5151 -11.1895 -56.5151 48.5138 GPRESSAVG: 708200 -1.18802 6.47327 -8.42853 4.67441 -49.913 -56.9126 -13.9594 -57.1536 47.3788 TIMING: 708200 CPU: 2126.58, 0.00299093/step Wall: 2126.58, 0.00299093/step, 3.56569 hours remaining, 207.703125 MB of memory in use. ENERGY: 708200 750.9298 2139.2699 1938.7761 107.8154 -206181.4305 17891.4848 0.0000 0.0000 34387.5351 -148965.6194 300.3149 -183353.1545 -148864.7427 300.4990 5.3776 37.6774 558196.1268 -1.3775 -1.2407 LDB: ============= START OF LOAD BALANCING ============== 2130.09 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2130.1 LDB: =============== DONE WITH MIGRATION ================ 2130.1 LDB: ============= START OF LOAD BALANCING ============== 2130.39 LDB: Largest compute 4773 load 0.024424 is 20.7% of average load 0.117992 LDB: Average compute 0.001726 is 1.5% of average load 0.117992 LDB: TIME 2130.4 LOAD: AVG 0.117992 MAX 0.212723 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.504 MB LDB: TIME 2130.4 LOAD: AVG 0.117992 MAX 0.212723 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.504 MB LDB: TIME 2130.4 LOAD: AVG 0.117992 MAX 0.212723 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.504 MB LDB: ============== END OF LOAD BALANCING =============== 2130.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2130.4 PRESSURE: 708400 -390.25 -27.6163 13.867 -27.6157 -128.23 -61.2711 13.867 -61.2715 -13.9016 GPRESSURE: 708400 -293.999 -34.9074 -40.8211 -39.581 -65.5884 -67.1145 88.176 -217.085 -73.4141 PRESSAVG: 708400 -41.0008 15.9889 6.15577 15.989 56.164 -44.7065 6.15572 -44.7064 -17.8537 GPRESSAVG: 708400 -41.8705 16.12 4.81138 15.291 57.3943 -44.1108 8.29466 -45.8311 -18.0288 TIMING: 708400 CPU: 2127.19, 0.00303213/step Wall: 2127.19, 0.00303213/step, 3.61463 hours remaining, 207.710938 MB of memory in use. ENERGY: 708400 790.1918 2155.5298 1908.1817 119.7589 -205707.7864 17561.7606 0.0000 0.0000 34244.7626 -148927.6009 299.0680 -183172.3635 -148835.8856 300.3948 -177.4604 -144.3338 558033.3802 -0.8968 -0.8350 PRESSURE: 708600 -52.6046 87.5884 19.1087 87.5889 -246.441 -54.1457 19.1083 -54.1457 -198.198 GPRESSURE: 708600 -87.2837 100.703 -93.8992 134.628 -147.085 -8.02372 116.617 -58.8662 -171.443 PRESSAVG: 708600 -7.58077 -57.6196 -29.9138 -57.6196 12.1021 -3.40704 -29.9137 -3.40709 -11.0712 GPRESSAVG: 708600 -7.96712 -59.7895 -29.6478 -56.5289 10.3714 -6.80429 -32.2038 -0.997417 -8.88623 TIMING: 708600 CPU: 2127.78, 0.00297437/step Wall: 2127.78, 0.00297437/step, 3.54561 hours remaining, 207.777344 MB of memory in use. ENERGY: 708600 774.3187 2096.7574 1924.4446 119.9515 -206049.2665 17793.2288 0.0000 0.0000 34296.7134 -149043.8522 299.5217 -183340.5656 -148942.2489 300.0890 -165.7477 -135.2705 558730.3482 -2.1833 -2.1606 PRESSURE: 708800 -87.7369 27.9373 -21.7386 27.9373 -73.5007 -171.076 -21.7383 -171.075 -90.9765 GPRESSURE: 708800 -13.4922 93.928 43.2154 -27.0395 -71.2096 -168.81 -112.55 -233.532 -63.3838 PRESSAVG: 708800 48.0452 -12.4953 24.0395 -12.4953 46.4009 -23.7864 24.0394 -23.7864 4.63038 GPRESSAVG: 708800 48.8303 -12.3677 25.272 -10.5761 47.4988 -20.073 23.939 -23.6688 3.28651 TIMING: 708800 CPU: 2128.38, 0.00300266/step Wall: 2128.38, 0.00300266/step, 3.57917 hours remaining, 207.777344 MB of memory in use. ENERGY: 708800 770.7249 2089.3903 1927.5409 103.7609 -206106.8210 17736.8121 0.0000 0.0000 34277.1151 -149201.4767 299.3506 -183478.5918 -149103.4974 300.3974 -84.0714 -49.3619 557599.4090 33.0255 33.2052 PRESSURE: 709000 -78.4983 35.9309 -25.1022 35.9297 70.7041 -184.366 -25.1028 -184.367 4.65352 GPRESSURE: 709000 -45.9655 -12.2032 -34.9542 119.039 95.901 -279.969 -36.3498 -160.497 47.4202 PRESSAVG: 709000 -44.2599 -16.9107 48.8389 -16.9106 51.4318 -30.3079 48.8389 -30.3079 -31.524 GPRESSAVG: 709000 -45.3974 -14.817 47.0776 -19.1075 51.3397 -31.6487 50.5866 -31.0529 -30.9657 TIMING: 709000 CPU: 2128.98, 0.00300146/step Wall: 2128.98, 0.00300146/step, 3.57758 hours remaining, 207.777344 MB of memory in use. ENERGY: 709000 739.4789 2092.6753 1944.7725 114.6695 -206033.1087 17816.6520 0.0000 0.0000 34093.8645 -149230.9961 297.7502 -183324.8605 -149132.2236 299.7142 -1.0469 32.4519 558068.3330 -8.1174 -8.3412 PRESSURE: 709200 88.8126 -107.519 -115.041 -107.519 -86.0745 25.7225 -115.041 25.7223 164.215 GPRESSURE: 709200 148.348 -82.6609 -53.4202 -87.0017 -23.0932 6.05732 -47.1922 43.4355 136.966 PRESSAVG: 709200 15.0537 14.8965 30.757 14.8964 -11.1904 -68.5328 30.757 -68.5327 -1.98382 GPRESSAVG: 709200 15.7175 14.9455 32.8746 13.7251 -11.3805 -67.8217 31.1526 -68.7053 -2.285 TIMING: 709200 CPU: 2129.58, 0.00298799/step Wall: 2129.58, 0.00298799/step, 3.56135 hours remaining, 207.777344 MB of memory in use. ENERGY: 709200 734.2548 2067.6386 1952.3126 104.5757 -206146.1288 17815.4741 0.0000 0.0000 34409.7733 -149062.0998 300.5091 -183471.8730 -148960.3379 299.2733 55.6509 87.4069 558600.1950 0.6265 0.6840 PRESSURE: 709400 -71.1079 -67.4856 130.756 -67.4857 184.177 -114.336 130.758 -114.336 -51.187 GPRESSURE: 709400 1.77204 2.41952 132.677 -61.6219 189.988 -109.382 175.329 -96.01 -30.8492 PRESSAVG: 709400 74.5711 -18.9121 44.1686 -18.9122 -47.1857 -1.19692 44.1686 -1.19691 -14.4343 GPRESSAVG: 709400 75.8682 -15.7517 44.3752 -18.8411 -48.2488 -2.28547 44.2788 -0.673723 -14.4416 TIMING: 709400 CPU: 2130.18, 0.00299099/step Wall: 2130.18, 0.00299099/step, 3.56476 hours remaining, 207.777344 MB of memory in use. ENERGY: 709400 732.9427 2084.2739 1979.6647 113.3670 -206317.1709 18037.7450 0.0000 0.0000 34376.1190 -148993.0586 300.2152 -183369.1776 -148885.5984 300.4268 20.6274 53.6368 557814.9669 4.3170 4.3926 PRESSURE: 709600 7.5062 148.603 -30.0289 148.603 -65.1207 5.85437 -30.03 5.85547 -240.088 GPRESSURE: 709600 26.4458 135.083 -103.433 96.1017 -17.8785 83.5906 -19.7887 -31.2277 -208.273 PRESSAVG: 709600 23.3337 -33.7772 44.1869 -33.7772 -65.5605 -37.8957 44.187 -37.8959 26.0296 GPRESSAVG: 709600 22.9851 -38.2438 41.3886 -31.7107 -64.3056 -38.3079 42.5336 -38.8952 25.0538 TIMING: 709600 CPU: 2130.78, 0.00299935/step Wall: 2130.78, 0.00299935/step, 3.57456 hours remaining, 207.777344 MB of memory in use. ENERGY: 709600 740.2544 2092.4198 1974.1097 120.9201 -205940.0207 17542.2535 0.0000 0.0000 34429.8708 -149040.1924 300.6846 -183470.0632 -148942.4066 299.7753 -99.2342 -66.5686 558344.7467 -5.3991 -5.4223 PRESSURE: 709800 -78.5978 320.038 -314.473 320.039 -206.988 44.7452 -314.474 44.7464 60.4549 GPRESSURE: 709800 -0.362323 277.795 -253.442 277.323 -188.032 43.0358 -199.989 -41.2034 65.3177 PRESSAVG: 709800 7.95085 54.2061 8.9972 54.2061 -44.6485 -59.3368 8.9972 -59.3366 17.2706 GPRESSAVG: 709800 6.12578 54.6109 9.6788 53.4033 -44.6891 -58.0618 10.4209 -59.8601 18.634 TIMING: 709800 CPU: 2131.38, 0.0029878/step Wall: 2131.38, 0.0029878/step, 3.56063 hours remaining, 207.777344 MB of memory in use. ENERGY: 709800 739.2867 2092.8387 1950.8372 122.9231 -205892.0857 17671.8538 0.0000 0.0000 34197.2655 -149117.0806 298.6532 -183314.3462 -149020.4715 300.1852 -75.0438 -41.0254 558318.5672 -6.4757 -6.6431 PRESSURE: 710000 120.512 -109 -133.567 -108.999 -222.61 -90.7876 -133.568 -90.7879 -19.6575 GPRESSURE: 710000 94.4741 -131.824 -160.207 -109.479 -141.171 -102.386 -141.49 -76.9907 27.9235 PRESSAVG: 710000 10.3119 -8.45323 28.668 -8.45313 44.6813 -15.7929 28.6679 -15.7929 -18.5262 GPRESSAVG: 710000 10.9472 -9.52602 26.9503 -6.15456 45.4259 -16.9107 30.1109 -15.4223 -19.9753 TIMING: 710000 CPU: 2131.98, 0.00300007/step Wall: 2131.98, 0.00300007/step, 3.57508 hours remaining, 207.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 710000 717.6393 2092.9294 1967.7510 108.2320 -205806.9739 17609.9014 0.0000 0.0000 34264.3713 -149046.1495 299.2393 -183310.5208 -148945.9260 299.8769 -40.5852 -6.2577 557526.4851 12.1557 12.1326 PRESSURE: 710200 -35.9533 -28.7603 21.5264 -28.7602 89.0608 197.335 21.5259 197.335 207.716 GPRESSURE: 710200 -7.65229 26.6259 51.476 -34.5002 132.532 175.966 -2.95874 300.23 239.157 PRESSAVG: 710200 -33.5018 -8.76776 -3.66173 -8.7677 -3.089 33.7985 -3.6618 33.7984 34.4495 GPRESSAVG: 710200 -33.3803 -7.1231 -2.59463 -8.72194 -4.24741 32.5198 -5.03614 35.4225 35.0777 TIMING: 710200 CPU: 2132.58, 0.0030391/step Wall: 2132.58, 0.0030391/step, 3.62143 hours remaining, 207.777344 MB of memory in use. ENERGY: 710200 703.1864 2075.2386 1915.1349 102.0128 -206040.1756 17805.9214 0.0000 0.0000 34317.1719 -149121.5096 299.7004 -183438.6815 -149023.5258 299.3952 86.9411 121.3457 556044.9806 -0.7138 -0.8500 PRESSURE: 710400 56.5397 -148.865 -36.0283 -148.865 106.706 -45.9318 -36.0277 -45.9298 -196.23 GPRESSURE: 710400 86.4407 -207.489 -63.6461 -74.8961 109.908 -67.5847 -30.4089 -4.65563 -129.666 PRESSAVG: 710400 39.4889 56.074 -5.74454 56.074 24.5373 34.9339 -5.74466 34.9339 -35.4695 GPRESSAVG: 710400 40.4827 55.0646 -4.83677 53.6962 24.0354 36.4411 -5.89378 33.7008 -36.2487 TIMING: 710400 CPU: 2133.18, 0.0029996/step Wall: 2133.18, 0.0029996/step, 3.5742 hours remaining, 207.777344 MB of memory in use. ENERGY: 710400 715.8174 2104.2448 1907.3674 106.5008 -206006.2746 17788.0557 0.0000 0.0000 34211.4813 -149172.8072 298.7774 -183384.2885 -149073.5813 299.3733 -10.9949 22.2274 557408.3432 9.5189 9.4231 PRESSURE: 710600 22.9438 -85.8049 251.172 -85.8041 132.387 -45.1831 251.172 -45.1831 -124.548 GPRESSURE: 710600 37.6399 -49.8462 298.473 -77.8318 155.057 -31.8433 167.787 -107.393 -60.286 PRESSAVG: 710600 10.0562 -25.7327 66.7718 -25.7327 -31.0269 19.882 66.7717 19.8821 -13.6113 GPRESSAVG: 710600 8.89394 -25.9012 64.2392 -24.1349 -30.5025 18.3814 68.4621 20.4827 -12.8364 TIMING: 710600 CPU: 2133.78, 0.0029798/step Wall: 2133.78, 0.0029798/step, 3.55043 hours remaining, 207.777344 MB of memory in use. ENERGY: 710600 744.1822 2118.3021 1901.6956 107.4973 -205917.0062 17744.1180 0.0000 0.0000 34280.6004 -149020.6106 299.3810 -183301.2109 -148923.0079 299.4890 10.2608 44.1368 556305.3184 -11.5273 -11.4816 PRESSURE: 710800 -69.288 -34.0408 -59.9344 -34.042 -94.3001 -27.9135 -59.9348 -27.9137 -69.8638 GPRESSURE: 710800 -33.6134 30.9489 37.8573 -98.0522 -22.816 -30.7379 -27.177 11.7631 -75.2539 PRESSAVG: 710800 15.8184 -10.8364 14.9466 -10.8364 41.0544 16.8287 14.9467 16.8287 -37.8276 GPRESSAVG: 710800 15.1695 -8.04725 17.7875 -11.9569 42.5031 18.444 14.2013 16.4941 -39.5678 TIMING: 710800 CPU: 2134.38, 0.0029874/step Wall: 2134.38, 0.0029874/step, 3.55932 hours remaining, 207.777344 MB of memory in use. ENERGY: 710800 732.5774 2095.0567 1945.5951 115.8059 -205593.7604 17419.0253 0.0000 0.0000 34285.9728 -148999.7272 299.4279 -183285.7000 -148905.1172 300.2083 -77.8173 -43.8945 557109.7808 6.3484 6.0349 PRESSURE: 711000 202.508 150.901 -136.316 150.902 1.10239 201.253 -136.317 201.255 65.3958 GPRESSURE: 711000 255.458 157.617 -162.06 165.262 19.8406 132.757 -99.3965 151.453 83.4429 PRESSAVG: 711000 -43.6397 16.2231 -20.815 16.2231 -6.82289 15.1643 -20.8151 15.1642 41.5958 GPRESSAVG: 711000 -44.3513 16.3095 -23.7643 16.2933 -8.14585 14.9647 -20.1625 15.2562 43.4607 TIMING: 711000 CPU: 2134.98, 0.00301717/step Wall: 2134.98, 0.00301717/step, 3.59463 hours remaining, 207.777344 MB of memory in use. ENERGY: 711000 759.5745 2046.0953 1935.6072 111.0594 -206096.4077 17848.0671 0.0000 0.0000 34464.8510 -148931.1532 300.9901 -183396.0042 -148834.5597 299.8448 89.6686 119.5804 557830.5426 -2.9556 -3.0122 PRESSURE: 711200 128.172 105.359 135.957 105.36 -61.533 141.417 135.958 141.417 -58.1822 GPRESSURE: 711200 196.874 108.32 108.985 151.456 -46.1488 100.685 89.1225 47.8893 -44.2405 PRESSAVG: 711200 -57.1153 27.3401 15.6797 27.3401 -6.04385 18.4693 15.6796 18.4694 44.5909 GPRESSAVG: 711200 -55.637 26.0191 16.3845 28.2412 -7.02731 20.0039 12.6787 17.8345 44.177 TIMING: 711200 CPU: 2135.59, 0.00303137/step Wall: 2135.59, 0.00303137/step, 3.61137 hours remaining, 207.777344 MB of memory in use. ENERGY: 711200 746.1014 2090.1899 1927.6631 121.8809 -206011.2600 17895.7083 0.0000 0.0000 34209.0440 -149020.6725 298.7561 -183229.7165 -148920.3771 299.4527 2.8188 35.4947 558690.3657 -6.1894 -6.1624 PRESSURE: 711400 -22.977 -38.4584 -10.1787 -38.458 -182.751 190.184 -10.1773 190.183 316.42 GPRESSURE: 711400 -21.4446 -40.8523 -32.468 -47.4348 -108.414 97.3115 -43.1418 229.28 343.571 PRESSAVG: 711400 45.3908 17.9534 37.7122 17.9534 -24.15 81.0217 37.7122 81.0217 -28.7838 GPRESSAVG: 711400 44.5969 18.9327 39.9789 17.7775 -23.6091 78.9614 37.9558 81.3171 -28.7243 TIMING: 711400 CPU: 2136.19, 0.00300488/step Wall: 2136.19, 0.00300488/step, 3.57965 hours remaining, 207.777344 MB of memory in use. ENERGY: 711400 751.7036 2082.5567 1965.7842 105.0010 -206210.3851 17885.1333 0.0000 0.0000 34207.0718 -149213.1345 298.7389 -183420.2063 -149125.8628 299.3792 36.8975 71.2375 558194.0191 -2.5144 -2.5788 PRESSURE: 711600 -155.922 18.5096 24.6963 18.5105 -153.15 -19.3396 24.698 -19.3393 -61.1858 GPRESSURE: 711600 -100.472 41.4206 56.2825 96.5329 -143.736 20.1921 43.7261 -24.4656 -32.4046 PRESSAVG: 711600 -34.9099 25.7508 -37.4005 25.7507 -41.0592 50.5639 -37.4005 50.5639 68.5721 GPRESSAVG: 711600 -34.3116 25.1785 -40.1783 26.1814 -39.6567 51.8102 -35.1669 50.0513 67.4727 TIMING: 711600 CPU: 2136.79, 0.00301521/step Wall: 2136.79, 0.00301521/step, 3.59179 hours remaining, 207.777344 MB of memory in use. ENERGY: 711600 734.3567 2072.2067 1941.3596 115.6966 -205963.7840 17642.5686 0.0000 0.0000 34106.2161 -149351.3797 297.8581 -183457.5958 -149258.9724 299.0463 -123.4193 -92.2043 557550.9628 -2.4657 -2.1652 PRESSURE: 711800 62.5125 -112.358 -5.76552 -112.359 126.759 -113.403 -5.76611 -113.403 121.186 GPRESSURE: 711800 91.7308 -156.862 28.3284 -53.742 107.594 -123.907 -14.1481 -99.5337 187.05 PRESSAVG: 711800 2.56917 -49.7862 -8.82557 -49.7862 -84.0641 -41.0606 -8.82567 -41.0606 87.4235 GPRESSAVG: 711800 1.6193 -51.4895 -6.01699 -51.3919 -84.8802 -39.0419 -10.2248 -41.218 87.8566 TIMING: 711800 CPU: 2137.39, 0.00301375/step Wall: 2137.39, 0.00301375/step, 3.58988 hours remaining, 207.777344 MB of memory in use. ENERGY: 711800 742.9549 2049.1745 1933.7866 127.5088 -206275.8877 17918.0268 0.0000 0.0000 34182.5177 -149321.9183 298.5244 -183504.4361 -149230.6079 298.6432 103.4858 128.7918 557452.6882 1.9762 1.5319 PRESSURE: 712000 139.029 -17.3834 -129.127 -17.3839 26.2634 61.4537 -129.126 61.4544 -10.8077 GPRESSURE: 712000 162.853 -24.2822 -21.7723 1.57417 88.4716 110.479 -182.863 55.9387 5.56573 PRESSAVG: 712000 81.6708 -18.7291 -19.9428 -18.7291 -77.5721 21.0408 -19.9429 21.0409 -31.057 GPRESSAVG: 712000 81.5979 -17.6958 -20.1426 -18.4477 -77.6719 18.4075 -18.9832 21.4188 -31.1926 TIMING: 712000 CPU: 2138, 0.00301613/step Wall: 2138, 0.00301613/step, 3.59255 hours remaining, 207.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 712000 715.7142 2092.4665 1925.3692 102.4482 -206253.4864 17833.7954 0.0000 0.0000 34067.1348 -149516.5583 297.5168 -183583.6931 -149419.7861 298.3537 51.4950 85.6300 556068.8308 -8.9861 -9.0889 PRESSURE: 712200 -211.126 -104.691 -18.4645 -104.692 -192.933 -66.7823 -18.4654 -66.7829 -110.957 GPRESSURE: 712200 -225.198 -113.41 -60.0283 -0.252601 -115.935 -6.8679 2.19109 -34.5014 -75.0058 PRESSAVG: 712200 34.7789 -54.966 -3.73864 -54.966 -27.1964 8.3279 -3.73857 8.32793 -24.4845 GPRESSAVG: 712200 34.4721 -55.6868 -5.43015 -55.4497 -27.2686 8.61785 -3.47302 7.61718 -24.339 TIMING: 712200 CPU: 2138.6, 0.00302567/step Wall: 2138.6, 0.00302567/step, 3.60374 hours remaining, 207.777344 MB of memory in use. ENERGY: 712200 727.7788 2104.5951 1946.6767 109.4743 -206156.3499 17643.6268 0.0000 0.0000 34021.1069 -149603.0913 297.1148 -183624.1983 -149518.4066 298.5056 -171.6721 -138.7130 557744.1118 -5.6340 -5.7118 LDB: ============= START OF LOAD BALANCING ============== 2142.12 LDB: ============== END OF LOAD BALANCING =============== 2142.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2142.12 LDB: ============= START OF LOAD BALANCING ============== 2142.43 LDB: Largest compute 4794 load 0.024212 is 20.5% of average load 0.118057 LDB: Average compute 0.001721 is 1.5% of average load 0.118057 LDB: TIME 2142.43 LOAD: AVG 0.118057 MAX 0.216766 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.648 MB LDB: TIME 2142.43 LOAD: AVG 0.118057 MAX 0.216766 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.648 MB LDB: TIME 2142.43 LOAD: AVG 0.118057 MAX 0.216766 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.648 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2142.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2142.44 PRESSURE: 712400 95.8413 -18.2912 187.118 -18.2916 7.58752 77.0553 187.118 77.0552 44.754 GPRESSURE: 712400 129.505 55.3713 180.967 -53.2589 30.6301 121.347 91.2406 -13.8554 81.9584 PRESSAVG: 712400 17.8405 -38.1947 -0.481884 -38.1947 -66.7594 9.19536 -0.481782 9.19534 51.9226 GPRESSAVG: 712400 17.7271 -36.4684 -1.28024 -40.1019 -65.7468 6.82648 -1.93948 11.1588 50.6766 TIMING: 712400 CPU: 2139.22, 0.00308536/step Wall: 2139.22, 0.00308536/step, 3.67466 hours remaining, 207.765625 MB of memory in use. ENERGY: 712400 758.3245 2049.6958 1978.0220 113.9097 -206861.0546 18096.1205 0.0000 0.0000 34333.8039 -149531.1782 299.8456 -183864.9821 -149441.3907 298.1878 49.3943 80.6979 556545.9570 1.0012 0.8856 PRESSURE: 712600 14.7344 10.8363 -103.998 10.8366 145.075 20.6728 -103.998 20.6718 36.2472 GPRESSURE: 712600 26.7279 -33.8127 -133.289 18.2823 193.3 -25.4674 -76.724 96.2439 69.9318 PRESSAVG: 712600 -0.269011 -1.20732 -2.26756 -1.20736 13.6631 -11.8951 -2.26773 -11.8951 -76.1285 GPRESSAVG: 712600 1.39043 -1.14655 -0.31127 0.682474 12.4115 -10.7696 -2.92002 -12.973 -76.499 TIMING: 712600 CPU: 2139.83, 0.00303772/step Wall: 2139.83, 0.00303772/step, 3.61776 hours remaining, 207.765625 MB of memory in use. ENERGY: 712600 787.0636 2115.4192 1959.8536 109.4465 -206457.9308 18009.9782 0.0000 0.0000 34058.9238 -149417.2459 297.4451 -183476.1697 -149322.6466 298.8299 65.3523 96.6531 556681.5567 -20.9115 -20.8990 PRESSURE: 712800 -219.065 42.6269 64.488 42.6277 -173.283 2.95218 64.4868 2.95057 86.9546 GPRESSURE: 712800 -193.419 93.1444 126.684 85.3692 -127.717 -20.7552 -26.7836 -8.28196 120.401 PRESSAVG: 712800 -17.5869 -35.8437 18.8781 -35.8438 -54.2763 -80.6666 18.8782 -80.6666 79.499 GPRESSAVG: 712800 -19.4828 -36.6703 17.4391 -35.2649 -53.5749 -80.2252 18.0979 -80.3599 80.6131 TIMING: 712800 CPU: 2140.43, 0.00299982/step Wall: 2140.43, 0.00299982/step, 3.57246 hours remaining, 207.765625 MB of memory in use. ENERGY: 712800 768.5467 2106.8002 1943.0224 101.6911 -206568.7208 17861.3306 0.0000 0.0000 34383.4726 -149403.8572 300.2794 -183787.3298 -149309.2323 299.0433 -101.7981 -66.9121 557516.3081 2.5453 2.5184 PRESSURE: 713000 -188.142 -4.275 -49.5262 -4.27477 20.9655 -117.835 -49.5278 -117.835 -187.913 GPRESSURE: 713000 -127.264 53.4933 -73.3353 -32.3711 37.4783 -168.468 -21.881 -61.4892 -177.949 PRESSAVG: 713000 -15.3617 6.22151 -14.446 6.2215 -51.9685 -17.9509 -14.446 -17.9508 67.9289 GPRESSAVG: 713000 -14.7048 5.68025 -13.4632 5.8433 -51.8743 -15.6234 -12.7454 -18.6267 67.792 TIMING: 713000 CPU: 2141.03, 0.0030039/step Wall: 2141.03, 0.0030039/step, 3.57714 hours remaining, 207.765625 MB of memory in use. ENERGY: 713000 787.2270 2069.4938 1943.1693 104.7123 -206230.4090 17727.9246 0.0000 0.0000 34252.5401 -149345.3420 299.1360 -183597.8821 -149245.3029 299.5297 -118.3629 -89.2447 558549.2229 0.1995 0.4043 PRESSURE: 713200 41.4154 65.145 97.2715 65.1456 -37.4937 75.0442 97.27 75.0443 193.113 GPRESSURE: 713200 41.0841 86.7021 129.164 -19.5561 32.3294 106.353 27.2802 52.7341 229.353 PRESSAVG: 713200 25.9616 44.0566 29.3083 44.0566 -61.7873 -35.8997 29.3084 -35.8999 -4.83017 GPRESSAVG: 713200 26.4733 44.3209 29.0735 44.1702 -61.0978 -35.7127 28.8299 -35.9225 -5.88593 TIMING: 713200 CPU: 2141.63, 0.00299408/step Wall: 2141.63, 0.00299408/step, 3.56528 hours remaining, 207.765625 MB of memory in use. ENERGY: 713200 757.2681 2090.9187 1921.9371 120.2792 -206232.7453 17997.2629 0.0000 0.0000 34094.9663 -149250.1129 297.7598 -183345.0793 -149152.3934 299.8126 65.6781 100.9220 556056.1088 -13.5520 -13.5035 PRESSURE: 713400 169.661 -103.549 -7.83804 -103.55 439.946 48.2379 -7.83837 48.2374 38.3745 GPRESSURE: 713400 163.236 -125.014 -16.8807 -117.167 471.186 10.4188 -33.4141 32.3833 107.556 PRESSAVG: 713400 56.4004 -23.2999 8.13312 -23.2999 -31.0959 12.298 8.13314 12.298 6.6374 GPRESSAVG: 713400 55.9895 -23.2335 9.42497 -25.0639 -32.7708 10.2398 8.62326 12.529 8.8996 TIMING: 713400 CPU: 2142.24, 0.00304553/step Wall: 2142.24, 0.00304553/step, 3.62638 hours remaining, 207.765625 MB of memory in use. ENERGY: 713400 736.0542 2108.0221 1960.9831 103.3188 -206168.6783 18061.0028 0.0000 0.0000 34045.9182 -149153.3791 297.3315 -183199.2972 -149058.9122 299.2881 215.9940 247.3261 556634.7325 10.6473 10.7061 PRESSURE: 713600 41.2462 -49.2199 -98.5822 -49.2217 197.767 104.522 -98.5821 104.522 3.2065 GPRESSURE: 713600 95.554 -53.6726 -283.596 -48.6786 219.98 111.916 -26.5411 77.8881 29.1271 PRESSAVG: 713600 -3.17093 4.4559 34.3107 4.45592 4.93012 25.6593 34.3107 25.6593 5.4036 GPRESSAVG: 713600 -3.35651 4.76808 31.2796 5.5585 5.68084 24.6567 37.3067 26.8821 4.61346 TIMING: 713600 CPU: 2142.85, 0.00305029/step Wall: 2142.85, 0.00305029/step, 3.63188 hours remaining, 207.765625 MB of memory in use. ENERGY: 713600 751.4279 2088.2293 1948.3467 119.1733 -206645.0977 17950.0032 0.0000 0.0000 34512.7326 -149275.1849 301.4083 -183787.9175 -149179.1413 299.0457 80.7398 114.8870 557233.1073 2.3876 2.3126 PRESSURE: 713800 -37.2326 26.5302 -39.2834 26.5295 18.5965 -7.78117 -39.2835 -7.78021 72.2013 GPRESSURE: 713800 -15.6552 115.331 -58.2526 -92.3595 95.3359 54.4054 -44.1532 -30.4263 69.1261 PRESSAVG: 713800 -39.3703 26.6147 -0.0644555 26.6147 42.1445 17.7951 -0.064364 17.7951 -52.6885 GPRESSAVG: 713800 -38.8698 26.8233 2.48186 26.0442 42.8978 16.703 -2.5699 17.8322 -53.8783 TIMING: 713800 CPU: 2143.46, 0.00305302/step Wall: 2143.46, 0.00305302/step, 3.63496 hours remaining, 207.765625 MB of memory in use. ENERGY: 713800 730.1006 2056.2218 1918.8321 108.4965 -206490.2007 17963.9397 0.0000 0.0000 34179.4856 -149533.1242 298.4979 -183712.6099 -149437.4903 298.5981 17.8550 49.6023 558133.2664 -16.6381 -16.6167 PRESSURE: 714000 -290.567 -66.7976 19.6945 -66.7962 -110.394 -184.175 19.6935 -184.175 -297.899 GPRESSURE: 714000 -235.84 -25.5037 -0.140549 -27.3434 -101.867 -198.422 -2.75701 -136.113 -246.128 PRESSAVG: 714000 1.90707 49.549 -43.684 49.549 48.328 -15.9006 -43.6839 -15.9006 -25.5149 GPRESSAVG: 714000 2.88036 47.7898 -41.628 51.1845 47.4298 -14.3646 -43.1325 -16.3719 -25.6803 TIMING: 714000 CPU: 2144.07, 0.00305388/step Wall: 2144.07, 0.00305388/step, 3.63582 hours remaining, 207.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 714000 748.3462 2112.7616 1928.8580 106.8830 -206173.6362 17737.8102 0.0000 0.0000 34076.0907 -149462.8865 297.5950 -183538.9772 -149368.3244 298.9539 -232.9530 -194.6116 558986.1134 8.2400 8.2100 PRESSURE: 714200 393.939 209.969 -150.24 209.97 15.1084 -52.0335 -150.241 -52.0342 51.3709 GPRESSURE: 714200 424.675 262.12 -155.224 154.32 53.3264 -19.2428 -140.343 -159.53 80.1924 PRESSAVG: 714200 25.2093 47.0219 -46.054 47.022 -29.6679 -11.5321 -46.054 -11.5322 -22.6635 GPRESSAVG: 714200 24.6894 47.3816 -48.6091 44.7088 -30.1292 -12.5767 -46.7153 -11.6203 -22.6321 TIMING: 714200 CPU: 2144.68, 0.0030495/step Wall: 2144.68, 0.0030495/step, 3.63043 hours remaining, 207.765625 MB of memory in use. ENERGY: 714200 750.0716 2032.1894 1938.9381 102.5807 -206661.5986 18105.4054 0.0000 0.0000 34333.7768 -149398.6368 299.8454 -183732.4135 -149298.1382 298.5735 153.4727 186.0647 557508.9122 -9.0407 -9.3573 PRESSURE: 714400 17.3131 88.0457 104.239 88.045 6.9982 230.681 104.24 230.678 11.8709 GPRESSURE: 714400 57.185 60.5244 105.986 109.067 52.9939 321.559 38.8676 230.759 16.5854 PRESSAVG: 714400 -10.1556 -19.7521 12.2456 -19.7521 11.9718 61.1981 12.2456 61.1981 25.5932 GPRESSAVG: 714400 -10.6373 -18.3871 11.4511 -19.1574 13.143 62.0853 11.3333 60.8717 25.3959 TIMING: 714400 CPU: 2145.28, 0.00303069/step Wall: 2145.28, 0.00303069/step, 3.60787 hours remaining, 207.765625 MB of memory in use. ENERGY: 714400 701.8878 2088.0164 1958.6803 119.6533 -206373.0042 17945.1296 0.0000 0.0000 34139.5516 -149420.0851 298.1492 -183559.6367 -149329.9042 298.9858 12.0607 42.2548 558937.2349 9.1364 9.3005 PRESSURE: 714600 167.163 6.00355 16.1362 6.00393 75.7853 -107.377 16.135 -107.376 185.102 GPRESSURE: 714600 161.333 -39.2806 -12.9065 36.9506 149.923 -139.121 -22.8501 -52.4009 205.835 PRESSAVG: 714600 20.2503 13.345 7.91748 13.345 -10.1555 -1.99695 7.91759 -1.99698 -39.7268 GPRESSAVG: 714600 20.2694 11.3769 8.40066 14.2278 -10.6676 -2.42654 9.7721 -2.09838 -39.465 TIMING: 714600 CPU: 2145.89, 0.00303164/step Wall: 2145.89, 0.00303164/step, 3.60883 hours remaining, 207.765625 MB of memory in use. ENERGY: 714600 764.9030 2091.0248 1948.7943 113.3686 -206681.2826 18050.3904 0.0000 0.0000 34233.6943 -149479.1072 298.9714 -183712.8015 -149380.6495 298.8359 142.6833 172.3635 556215.4472 -9.8773 -9.9544 PRESSURE: 714800 -0.363595 -103.505 130.919 -103.503 -130.21 127.705 130.918 127.706 -393.805 GPRESSURE: 714800 34.0517 -10.7493 129.035 -172.68 -97.8156 35.2122 14.9199 179.447 -371.694 PRESSAVG: 714800 66.9433 32.5327 5.10742 32.5327 -47.4023 42.6609 5.10736 42.6608 -21.1368 GPRESSAVG: 714800 68.0745 32.9599 5.19896 32.9612 -47.7005 40.8703 4.29917 42.443 -21.8121 TIMING: 714800 CPU: 2146.49, 0.00301232/step Wall: 2146.49, 0.00301232/step, 3.58566 hours remaining, 207.765625 MB of memory in use. ENERGY: 714800 718.1381 2112.9020 1945.7214 111.2404 -206234.2220 17685.8546 0.0000 0.0000 34071.4790 -149588.8867 297.5547 -183660.3656 -149490.3230 298.5593 -174.7926 -145.1528 557754.4031 -0.5319 -0.4794 PRESSURE: 715000 -40.0958 25.3917 -47.2531 25.394 -46.8238 15.0452 -47.2545 15.0449 -59.6558 GPRESSURE: 715000 -19.7527 67.4863 -173.779 -21.1653 -51.6235 11.5337 40.7039 50.241 20.2858 PRESSAVG: 715000 56.5641 17.4199 0.413221 17.4199 10.2887 18.857 0.413195 18.8569 -56.5778 GPRESSAVG: 715000 56.1006 19.3526 -0.738943 16.1868 9.62691 21.8903 1.92578 16.797 -55.694 TIMING: 715000 CPU: 2147.1, 0.00302044/step Wall: 2147.1, 0.00302044/step, 3.59516 hours remaining, 207.765625 MB of memory in use. ENERGY: 715000 763.4299 2033.5985 1928.8806 116.7819 -206719.1423 17895.2806 0.0000 0.0000 34304.1028 -149677.0681 299.5863 -183981.1709 -149582.9629 298.3697 -48.8584 -17.0301 556845.2916 3.4250 3.3445 PRESSURE: 715200 -46.4032 -55.6739 -173.265 -55.6744 -110.139 -120.771 -173.264 -120.771 -8.11619 GPRESSURE: 715200 3.53959 -28.3496 -165.842 -77.4262 -84.8178 -172.882 -111.742 -111.091 6.36129 PRESSAVG: 715200 47.3071 11.9557 0.0737998 11.9557 5.10814 -38.1954 0.0737351 -38.1955 -31.4842 GPRESSAVG: 715200 48.5398 11.5934 1.8148 11.779 4.55318 -38.9684 -1.0829 -37.8498 -31.6858 TIMING: 715200 CPU: 2147.7, 0.0030228/step Wall: 2147.7, 0.0030228/step, 3.59781 hours remaining, 207.765625 MB of memory in use. ENERGY: 715200 761.5714 2040.9595 1923.8712 119.8320 -206397.3287 17870.1220 0.0000 0.0000 34272.0864 -149408.8862 299.3067 -183680.9726 -149310.2839 298.4294 -54.8860 -24.9723 558621.5706 6.9770 7.1357 PRESSURE: 715400 -38.3864 59.8055 162.527 59.8051 -269.707 4.00353 162.526 4.00317 -236.117 GPRESSURE: 715400 -7.0979 58.6595 132.752 86.0714 -243.027 6.72796 126.997 37.3584 -205.985 PRESSAVG: 715400 -21.3996 -39.811 15.7894 -39.811 -3.65254 -37.826 15.7893 -37.826 22.941 GPRESSAVG: 715400 -22.1153 -40.9742 15.2201 -38.7647 -3.27702 -37.9084 15.1795 -36.4965 23.183 TIMING: 715400 CPU: 2148.3, 0.00299992/step Wall: 2148.3, 0.00299992/step, 3.5704 hours remaining, 207.765625 MB of memory in use. ENERGY: 715400 758.5349 2109.2105 1949.0290 110.4731 -206131.1699 17668.5769 0.0000 0.0000 34126.9448 -149408.4008 298.0391 -183535.3456 -149323.3937 299.5694 -181.4032 -152.0367 558360.9482 -0.7037 -0.7364 PRESSURE: 715600 -30.8733 199.42 103.681 199.419 -131.759 13.3067 103.682 13.3076 -0.885281 GPRESSURE: 715600 -32.8641 188.263 159.395 203.527 -63.5925 32.4098 9.3927 34.5172 17.0586 PRESSAVG: 715600 48.8307 18.646 7.61344 18.6459 -18.0464 -16.7034 7.61333 -16.7033 17.0352 GPRESSAVG: 715600 47.8653 19.2971 7.42814 18.4201 -16.4979 -13.2185 8.12318 -17.9576 16.4246 TIMING: 715600 CPU: 2148.9, 0.00300502/step Wall: 2148.9, 0.00300502/step, 3.5763 hours remaining, 207.765625 MB of memory in use. ENERGY: 715600 762.9518 2098.3771 1920.8729 112.1064 -206439.3658 17927.7986 0.0000 0.0000 34388.7617 -149228.4972 300.3256 -183617.2590 -149140.2322 298.9038 -54.5058 -26.4660 556988.8925 15.9399 15.9306 PRESSURE: 715800 284.686 174.736 40.3796 174.736 6.58174 6.736 40.3795 6.73582 237.347 GPRESSURE: 715800 342.002 133.857 146.467 205.356 29.8711 -30.304 -54.5023 -36.6432 259.417 PRESSAVG: 715800 94.9824 -5.99759 -57.2972 -5.99759 -62.7219 20.6284 -57.2971 20.6283 0.682101 GPRESSAVG: 715800 95.4331 -7.84625 -57.9748 -4.56997 -63.2028 15.5877 -57.1635 21.0245 0.44386 TIMING: 715800 CPU: 2149.51, 0.00302729/step Wall: 2149.51, 0.00302729/step, 3.60264 hours remaining, 208.023438 MB of memory in use. ENERGY: 715800 768.8171 2068.7818 1926.4231 115.5411 -206673.8135 18184.6692 0.0000 0.0000 34364.3912 -149245.1899 300.1128 -183609.5811 -149153.7061 299.6065 176.2050 210.4301 557272.9327 10.9809 10.8914 PRESSURE: 716000 263.432 -3.13296 19.1642 -3.1337 3.56756 -65.0378 19.1641 -65.0361 -11.3161 GPRESSURE: 716000 304.415 -54.9742 3.53198 -46.1721 59.8529 -52.3115 -8.19039 -83.3006 -18.5 PRESSAVG: 716000 -13.6851 -3.59241 1.81114 -3.59247 -53.5919 -19.4943 1.81118 -19.4943 19.7035 GPRESSAVG: 716000 -13.1299 -2.97119 1.49515 -4.25751 -54.0637 -18.5855 1.65792 -17.8814 20.1488 TIMING: 716000 CPU: 2150.1, 0.00299046/step Wall: 2150.1, 0.00299046/step, 3.55865 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: 716000 761.7202 2107.9434 1907.0448 110.5516 -206510.2000 17956.4266 0.0000 0.0000 34238.3647 -149428.1487 299.0122 -183666.5135 -149340.4395 299.1586 85.2277 115.2561 556528.8399 -15.8578 -15.6816 PRESSURE: 716200 -240.006 118.312 -54.4168 118.312 41.8419 -285.837 -54.4162 -285.836 275.85 GPRESSURE: 716200 -197.603 119.76 -10.257 119.648 72.9718 -287.128 -133.532 -259.491 297.278 PRESSAVG: 716200 -5.32714 -17.785 -60.6251 -17.785 1.80912 -46.21 -60.6251 -46.2099 14.7218 GPRESSAVG: 716200 -6.10364 -18.1889 -59.9454 -18.3832 3.11302 -44.6116 -60.474 -45.1718 14.4798 TIMING: 716200 CPU: 2150.7, 0.00299577/step Wall: 2150.7, 0.00299577/step, 3.5648 hours remaining, 208.023438 MB of memory in use. ENERGY: 716200 773.7328 2100.5768 1906.5802 106.6755 -206411.3555 17970.3090 0.0000 0.0000 34103.1257 -149450.3555 297.8311 -183553.4811 -149354.7910 297.8932 25.8953 57.5489 558089.1025 3.7346 3.8297 LDB: ============= START OF LOAD BALANCING ============== 2154.22 LDB: ============== END OF LOAD BALANCING =============== 2154.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2154.22 LDB: ============= START OF LOAD BALANCING ============== 2154.52 LDB: Largest compute 4773 load 0.026039 is 22.1% of average load 0.117988 LDB: Average compute 0.001728 is 1.5% of average load 0.117988 LDB: TIME 2154.52 LOAD: AVG 0.117988 MAX 0.21124 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.418 MB LDB: TIME 2154.52 LOAD: AVG 0.117988 MAX 0.21124 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.484 MB LDB: TIME 2154.52 LOAD: AVG 0.117988 MAX 0.21124 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.484 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2154.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2154.53 PRESSURE: 716400 69.8184 -16.5637 -42.3465 -16.5641 313.314 74.3843 -42.3465 74.3841 108.384 GPRESSURE: 716400 83.9507 -56.1334 -29.8671 -3.86692 351.249 33.8832 -51.2654 78.3632 163.788 PRESSAVG: 716400 -18.8463 0.370947 53.8095 0.37092 46.9863 46.5584 53.8095 46.5585 -22.8614 GPRESSAVG: 716400 -18.836 0.984629 54.1745 2.24108 47.7029 45.366 53.7924 45.5553 -22.7809 TIMING: 716400 CPU: 2151.31, 0.00303808/step Wall: 2151.31, 0.00303808/step, 3.61498 hours remaining, 207.394531 MB of memory in use. ENERGY: 716400 724.1329 2129.6289 1913.1305 114.4756 -206685.9041 18190.4891 0.0000 0.0000 34068.4953 -149545.5518 297.5286 -183614.0472 -149454.0136 298.3982 163.8389 199.6626 557256.5099 1.7595 2.0287 PRESSURE: 716600 -37.8325 -98.2652 17.1917 -98.266 -86.8 -120.829 17.1907 -120.829 -27.5867 GPRESSURE: 716600 4.82415 -73.9629 -0.140312 -121.777 -73.9532 -174.201 0.3605 -97.2771 9.70997 PRESSAVG: 716600 -22.6013 -26.939 19.594 -26.939 16.3527 9.13075 19.5941 9.13075 30.6 GPRESSAVG: 716600 -21.6639 -24.7519 21.0226 -29.3231 15.3803 8.37762 19.7878 9.19655 31.3524 TIMING: 716600 CPU: 2151.91, 0.00299433/step Wall: 2151.91, 0.00299433/step, 3.56276 hours remaining, 207.394531 MB of memory in use. ENERGY: 716600 739.8438 2117.5707 1914.8749 118.1992 -206338.1920 17900.7342 0.0000 0.0000 33982.5683 -149564.4010 296.7782 -183546.9693 -149468.0317 298.5529 -50.7397 -19.8064 558024.5958 8.1171 8.3562 PRESSURE: 716800 58.948 89.407 -70.3348 89.4067 -179.857 17.2471 -70.3333 17.2463 -312.588 GPRESSURE: 716800 105.703 89.4918 -101.735 146.594 -176.344 -32.5134 -48.108 98.0023 -262.169 PRESSAVG: 716800 46.1553 1.83108 21.9246 1.83102 -8.92743 -12.0693 21.9246 -12.0693 -56.6194 GPRESSAVG: 716800 45.634 -0.0474905 20.64 0.715678 -8.97667 -11.6553 21.2253 -11.2701 -55.8138 TIMING: 716800 CPU: 2152.51, 0.00298319/step Wall: 2152.51, 0.00298319/step, 3.54933 hours remaining, 207.394531 MB of memory in use. ENERGY: 716800 779.5309 2109.9132 1938.6342 111.2771 -206161.3018 17594.4923 0.0000 0.0000 34057.3223 -149570.1318 297.4311 -183627.4541 -149475.7816 298.7429 -144.4989 -110.9363 556428.7170 -6.4638 -6.3855 PRESSURE: 717000 -148.768 -11.3239 124.866 -11.3239 -169.073 -3.58768 124.866 -3.58791 -54.2014 GPRESSURE: 717000 -151.272 -35.1076 172.149 -84.4642 -113.385 -111.096 57.3614 48.8769 -21.1284 PRESSAVG: 717000 -17.4284 20.34 69.9258 20.34 -14.1108 -27.4459 69.9258 -27.446 37.0365 GPRESSAVG: 717000 -17.6317 21.1148 70.8852 22.2253 -14.0829 -28.1363 70.556 -28.2506 36.7892 TIMING: 717000 CPU: 2153.1, 0.00298031/step Wall: 2153.1, 0.00298031/step, 3.54574 hours remaining, 207.394531 MB of memory in use. ENERGY: 717000 762.1694 2095.4724 1953.2541 113.5920 -205945.5982 17586.3825 0.0000 0.0000 34088.6391 -149346.0887 297.7046 -183434.7278 -149241.5055 298.7237 -124.0143 -95.2619 556573.7327 1.8324 1.6915 PRESSURE: 717200 78.3913 -165.902 -21.7434 -165.903 47.0788 -236.006 -21.742 -236.006 -146.663 GPRESSURE: 717200 125.927 -148.704 -90.8899 -120.516 33.5865 -206.158 -23.9063 -210.325 -96.7145 PRESSAVG: 717200 86.4524 -41.8717 66.8143 -41.8717 -36.882 4.56964 66.8144 4.56961 -45.2951 GPRESSAVG: 717200 86.2581 -41.3903 65.0244 -43.0633 -37.166 3.64251 66.7168 5.47184 -44.8181 TIMING: 717200 CPU: 2153.7, 0.00299104/step Wall: 2153.7, 0.00299104/step, 3.55834 hours remaining, 207.394531 MB of memory in use. ENERGY: 717200 756.9812 2133.1806 1962.5273 112.3642 -205986.8012 17747.9055 0.0000 0.0000 34036.1363 -149237.7060 297.2460 -183273.8423 -149142.8768 299.3946 -7.0642 20.9330 558210.4171 1.4251 1.4247 PRESSURE: 717400 -63.0243 12.4656 8.62268 12.4659 46.4805 36.6782 8.62162 36.6792 -15.2303 GPRESSURE: 717400 -54.4554 64.2853 -2.65194 -7.38789 151.37 -11.4468 -30.2037 41.7106 -26.3867 PRESSAVG: 717400 -27.6014 -26.2064 16.2327 -26.2064 14.9238 0.898788 16.2326 0.898669 -31.521 GPRESSAVG: 717400 -28.3616 -25.5757 17.7434 -27.9568 15.5006 1.28857 14.6841 0.323896 -31.2854 TIMING: 717400 CPU: 2154.31, 0.00302093/step Wall: 2154.31, 0.00302093/step, 3.59373 hours remaining, 207.394531 MB of memory in use. ENERGY: 717400 732.2395 2040.2891 1903.8732 115.7658 -206308.0134 17845.4569 0.0000 0.0000 34380.7070 -149289.6818 300.2553 -183670.3888 -149190.3708 299.3339 -10.5914 23.5094 556226.9056 -14.7329 -14.7155 PRESSURE: 717600 170.395 32.3404 -3.16383 32.341 246.899 -142.409 -3.16397 -142.409 25.6624 GPRESSURE: 717600 192.649 -85.4151 -73.0109 120.583 325.366 -176.715 15.2138 -69.1982 13.287 PRESSAVG: 717600 -34.5071 -18.2693 -2.32975 -18.2694 7.77307 -33.8765 -2.32978 -33.8763 -1.42488 GPRESSAVG: 717600 -32.9084 -20.1784 -4.55582 -14.5817 7.58819 -33.1012 0.553995 -34.0213 -2.68167 TIMING: 717600 CPU: 2154.92, 0.00304966/step Wall: 2154.92, 0.00304966/step, 3.62774 hours remaining, 207.394531 MB of memory in use. ENERGY: 717600 711.1334 2128.4368 1956.1461 102.5721 -206477.6554 17953.7274 0.0000 0.0000 34251.8073 -149373.8323 299.1296 -183625.6397 -149272.4680 299.6217 147.6522 177.1008 556031.5561 -9.3863 -9.3339 PRESSURE: 717800 -63.1091 75.2159 17.0729 75.2169 122.016 -36.0865 17.0721 -36.0859 112.987 GPRESSURE: 717800 16.8507 -16.7425 -13.5952 139.015 132.914 -105.682 -6.48711 52.5609 120.316 PRESSAVG: 717800 -23.5009 -25.0324 9.5128 -25.0325 72.9672 0.915182 9.51281 0.915017 -49.5848 GPRESSAVG: 717800 -24.5878 -25.4966 11.1656 -25.5887 73.5738 0.983539 6.98275 0.0729596 -49.0396 TIMING: 717800 CPU: 2155.53, 0.00306169/step Wall: 2155.53, 0.00306169/step, 3.64189 hours remaining, 207.394531 MB of memory in use. ENERGY: 717800 723.9229 2065.3488 1910.6680 107.0154 -206230.1586 17821.1270 0.0000 0.0000 34230.0768 -149371.9997 298.9398 -183602.0765 -149278.0964 298.4721 57.2980 90.0267 555841.8422 -0.0395 -0.0178 PRESSURE: 718000 -216.847 4.38876 -73.8177 4.38931 -529.814 -72.7577 -73.818 -72.7577 -208.241 GPRESSURE: 718000 -162.34 16.6615 -122.666 -32.721 -494.648 -63.7533 -128.729 -60.1088 -201.078 PRESSAVG: 718000 12.6381 58.745 -16.1595 58.7451 4.55831 -59.742 -16.1595 -59.742 7.97887 GPRESSAVG: 718000 13.4754 60.5202 -18.024 57.0523 4.71141 -60.9223 -15.0966 -58.9302 7.36578 TIMING: 718000 CPU: 2156.13, 0.00302698/step Wall: 2156.13, 0.00302698/step, 3.60043 hours remaining, 207.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 718000 793.3540 2070.0262 1905.2150 101.6703 -206029.4710 17489.5849 0.0000 0.0000 34169.6729 -149499.9476 298.4123 -183669.6206 -149402.4786 298.6828 -318.3007 -286.0219 556958.9566 8.3918 8.5175 PRESSURE: 718200 38.6641 -75.4168 167.758 -75.4173 342.19 -86.5939 167.758 -86.5932 -54.1514 GPRESSURE: 718200 37.2777 -23.9342 160.712 -181.454 343.088 22.7826 120.197 -189.241 43.1467 PRESSAVG: 718200 -22.2032 -16.8415 -0.964638 -16.8416 49.8174 -54.8351 -0.964643 -54.8351 -41.4423 GPRESSAVG: 718200 -22.4312 -16.4405 1.51431 -16.7658 49.6704 -54.925 -1.11597 -55.7591 -41.0413 TIMING: 718200 CPU: 2156.74, 0.00302694/step Wall: 2156.74, 0.00302694/step, 3.6002 hours remaining, 207.394531 MB of memory in use. ENERGY: 718200 727.2168 2018.0015 1909.4694 108.3870 -206141.1238 17930.9440 0.0000 0.0000 33938.1882 -149508.9169 296.3906 -183447.1051 -149408.7685 298.0803 108.9010 141.1706 555803.8113 -4.6094 -4.6007 PRESSURE: 718400 -256.895 101.716 -112.026 101.716 -283.618 -103.067 -112.028 -103.067 -219.559 GPRESSURE: 718400 -214.705 57.81 -202.885 125.163 -244.013 -145.503 -74.82 -108.88 -191.856 PRESSAVG: 718400 -10.637 26.1211 -4.20089 26.1211 26.9097 -61.6449 -4.20094 -61.6448 -57.047 GPRESSAVG: 718400 -10.4763 24.1819 -6.27026 25.7372 26.3717 -61.228 -4.10158 -59.8529 -56.5675 TIMING: 718400 CPU: 2157.34, 0.00301059/step Wall: 2157.34, 0.00301059/step, 3.58059 hours remaining, 207.394531 MB of memory in use. ENERGY: 718400 737.1678 2129.6363 1925.5118 113.7466 -206261.1822 17639.9019 0.0000 0.0000 34119.7470 -149595.4707 297.9762 -183715.2177 -149497.9154 298.6323 -253.3575 -216.8577 557047.7544 -13.5914 -13.5574 PRESSURE: 718600 7.91578 -144.049 -104.891 -144.048 145.232 151.09 -104.892 151.088 -198.567 GPRESSURE: 718600 49.9884 -157.064 -138.669 -195.695 149.507 161.666 -65.6738 140.542 -155.318 PRESSAVG: 718600 6.42048 2.22208 -10.1635 2.22213 3.89974 39.1165 -10.1634 39.1165 -12.6677 GPRESSAVG: 718600 6.88158 1.22299 -9.57856 1.90742 4.09852 39.7061 -6.56046 37.8691 -13.0094 TIMING: 718600 CPU: 2157.94, 0.00298489/step Wall: 2157.94, 0.00298489/step, 3.54986 hours remaining, 207.394531 MB of memory in use. ENERGY: 718600 736.8405 2069.7615 1908.2337 111.9545 -206286.4676 17635.7739 0.0000 0.0000 34213.3003 -149610.6032 298.7933 -183823.9035 -149513.8629 298.3366 -15.1397 14.7256 556146.3982 -0.7825 -0.6764 PRESSURE: 718800 -173.733 -14.9501 34.459 -14.9502 -102.882 138.549 34.4584 138.547 -113.52 GPRESSURE: 718800 -161.659 6.2777 101.412 -75.9477 -59.207 151.16 18.9691 40.3586 -54.56 PRESSAVG: 718800 -13.9105 -12.2931 -13.3285 -12.293 65.5627 35.7668 -13.3286 35.7669 -52.6725 GPRESSAVG: 718800 -14.493 -8.9617 -12.7103 -12.1714 65.8089 35.3541 -16.9266 35.5828 -52.2313 TIMING: 718800 CPU: 2158.54, 0.00299707/step Wall: 2158.54, 0.00299707/step, 3.56419 hours remaining, 207.394531 MB of memory in use. ENERGY: 718800 759.1307 2057.5863 1892.3607 114.8979 -206161.7290 17666.0690 0.0000 0.0000 34179.2913 -149492.3931 298.4963 -183671.6843 -149395.9190 298.5856 -130.0452 -91.8087 556548.1661 -0.3401 -0.3051 PRESSURE: 719000 -25.6136 -69.9776 -29.6119 -69.9779 123.624 224.992 -29.613 224.992 -84.3091 GPRESSURE: 719000 59.0203 -34.1002 6.74908 -29.3349 100.294 248.794 9.6698 130.712 -31.2808 PRESSAVG: 719000 -18.6881 -43.7167 -69.1163 -43.7167 57.031 23.2148 -69.1162 23.2149 -56.3457 GPRESSAVG: 719000 -18.1039 -44.3483 -70.3601 -43.817 56.1997 22.7009 -67.2994 23.8729 -56.6454 TIMING: 719000 CPU: 2159.14, 0.00302079/step Wall: 2159.14, 0.00302079/step, 3.59222 hours remaining, 207.394531 MB of memory in use. ENERGY: 719000 758.9078 2098.7247 1945.4847 104.0237 -206610.4471 17928.4137 0.0000 0.0000 34290.3548 -149484.5377 299.4662 -183774.8925 -149382.6734 298.3408 4.5670 42.6778 556633.1951 -6.0009 -6.1832 PRESSURE: 719200 82.9001 -51.6678 -109.14 -51.6683 176.452 -42.0105 -109.14 -42.0116 182.59 GPRESSURE: 719200 147.321 -50.5772 -129.781 19.3258 182.169 -123.998 -116.918 87.9248 213.588 PRESSAVG: 719200 45.5954 2.99188 -41.9406 2.99181 2.3801 -7.99259 -41.9406 -7.99267 -1.60969 GPRESSAVG: 719200 44.2317 0.65903 -40.3089 5.31099 2.74698 -8.11762 -43.4031 -8.21276 -0.902808 TIMING: 719200 CPU: 2159.75, 0.00302391/step Wall: 2159.75, 0.00302392/step, 3.59577 hours remaining, 207.394531 MB of memory in use. ENERGY: 719200 783.5624 2055.6015 1919.4244 99.3977 -206804.8852 18130.9404 0.0000 0.0000 34275.5935 -149540.3654 299.3373 -183815.9589 -149439.3689 298.8622 147.3138 181.0261 555593.1234 15.4553 15.3586 PRESSURE: 719400 -272.179 235.414 106.577 235.415 43.3742 38.5624 106.577 38.5649 23.6497 GPRESSURE: 719400 -302.035 112.893 115.936 199.436 139.786 112.147 128.523 63.474 49.8759 PRESSAVG: 719400 0.12716 -8.24235 -32.8918 -8.24239 -28.1864 61.5489 -32.8918 61.549 43.4099 GPRESSAVG: 719400 0.655084 -8.30696 -32.1718 -9.31883 -28.0158 62.8135 -32.6574 61.43 43.2055 TIMING: 719400 CPU: 2160.36, 0.00304676/step Wall: 2160.36, 0.00304676/step, 3.62276 hours remaining, 207.394531 MB of memory in use. ENERGY: 719400 717.0265 2156.0263 1941.8381 100.7029 -206222.4337 17722.0458 0.0000 0.0000 34081.0189 -149503.7752 297.6380 -183584.7941 -149408.4006 298.5062 -68.3851 -37.4577 557134.2329 5.1169 5.2816 PRESSURE: 719600 28.691 -87.7602 -34.6378 -87.7603 189.337 150.472 -34.6361 150.472 272.914 GPRESSURE: 719600 10.279 -50.941 -108.577 -16.4316 281.398 168.442 11.822 77.0863 312.014 PRESSAVG: 719600 -17.1295 40.9682 -45.656 40.9683 -2.60267 56.0389 -45.6558 56.0389 -0.892866 GPRESSAVG: 719600 -18.4403 42.6264 -46.162 39.9656 -1.51317 54.5545 -44.7454 57.87 -1.3654 TIMING: 719600 CPU: 2160.97, 0.00305336/step Wall: 2160.97, 0.00305336/step, 3.63045 hours remaining, 207.394531 MB of memory in use. ENERGY: 719600 719.3635 2035.2255 1922.0160 112.3782 -206385.0437 17929.6989 0.0000 0.0000 34293.2099 -149373.1516 299.4911 -183666.3615 -149279.3793 298.5834 163.6472 201.2301 555065.3554 -6.8750 -7.1063 PRESSURE: 719800 -59.5013 -35.1803 25.9053 -35.1808 -189.584 6.97269 25.9047 6.97229 74.63 GPRESSURE: 719800 -17.8265 -33.1905 21.0726 17.4791 -161.892 70.9326 83.2113 6.70431 105.968 PRESSAVG: 719800 -78.1225 15.9542 20.5116 15.9542 -1.41447 -5.15601 20.5116 -5.15607 52.1942 GPRESSAVG: 719800 -76.2195 16.5003 19.6703 17.4264 -2.51804 -4.24296 20.4679 -5.90333 51.0985 TIMING: 719800 CPU: 2161.57, 0.00301937/step Wall: 2161.57, 0.00301937/step, 3.58986 hours remaining, 207.394531 MB of memory in use. ENERGY: 719800 740.7538 2142.2378 1944.1955 112.6370 -206057.9285 17583.7049 0.0000 0.0000 34358.2587 -149176.1407 300.0592 -183534.3995 -149081.1679 298.6262 -58.1517 -24.5835 555465.3283 -9.1142 -9.2130 PRESSURE: 720000 -250.8 35.2724 97.4346 35.2718 50.9423 102.693 97.4336 102.693 -102.201 GPRESSURE: 720000 -205.059 -97.7486 123.974 171.603 52.9931 -39.4141 67.2181 33.9312 -54.0457 PRESSAVG: 720000 -12.9762 -3.5399 -10.2308 -3.53992 4.2266 7.74941 -10.2309 7.74948 4.1174 GPRESSAVG: 720000 -14.139 -3.508 -9.44236 -5.74296 3.11245 7.60484 -10.5876 8.05377 6.80576 TIMING: 720000 CPU: 2162.18, 0.00303973/step Wall: 2162.18, 0.00303973/step, 3.61391 hours remaining, 207.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 720000 717.0426 2070.8894 1952.9743 99.6146 -205995.4623 17719.4933 0.0000 0.0000 34264.4959 -149170.9522 299.2404 -183435.4481 -149078.2463 299.5663 -100.6862 -68.7037 558201.5373 -1.5441 -1.4069 PRESSURE: 720200 56.5586 -115.792 15.2126 -115.793 88.3128 -70.3175 15.2117 -70.3163 -88.0109 GPRESSURE: 720200 140.761 -107.026 79.5775 -90.6068 89.7502 -81.9019 -76.3475 -8.32001 -82.084 PRESSAVG: 720200 -4.73983 36.9419 -36.5439 36.942 18.8913 -12.4699 -36.5438 -12.47 -32.5645 GPRESSAVG: 720200 -3.49385 34.1378 -37.8514 39.031 19.6422 -11.2196 -36.2286 -13.918 -34.3415 TIMING: 720200 CPU: 2162.79, 0.00304856/step Wall: 2162.79, 0.00304856/step, 3.62422 hours remaining, 207.394531 MB of memory in use. ENERGY: 720200 718.6780 2086.3134 1940.3453 110.3873 -205967.8050 17670.3891 0.0000 0.0000 34328.4100 -149113.2819 299.7985 -183441.6919 -149016.0889 299.2456 18.9535 49.4756 556726.5893 -6.1377 -6.0644 LDB: ============= START OF LOAD BALANCING ============== 2166.3 LDB: ============== END OF LOAD BALANCING =============== 2166.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2166.31 LDB: ============= START OF LOAD BALANCING ============== 2166.61 LDB: Largest compute 4773 load 0.025266 is 21.4% of average load 0.118039 LDB: Average compute 0.001724 is 1.5% of average load 0.118039 LDB: TIME 2166.61 LOAD: AVG 0.118039 MAX 0.211266 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.68 MB LDB: TIME 2166.61 LOAD: AVG 0.118039 MAX 0.211266 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.684 MB LDB: TIME 2166.61 LOAD: AVG 0.118039 MAX 0.211266 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.684 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2166.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2166.62 PRESSURE: 720400 -139.441 84.2099 -32.0617 84.2082 -227.793 63.6433 -32.0619 63.6425 300.446 GPRESSURE: 720400 -135.744 -48.6029 -53.4095 182.6 -158.381 110.368 19.5379 22.564 314.68 PRESSAVG: 720400 21.5145 18.3795 -32.812 18.3795 24.9103 26.6355 -32.8121 26.6353 -33.9759 GPRESSAVG: 720400 22.1422 20.7208 -32.492 18.7658 24.1776 25.2476 -30.5259 28.7759 -33.2475 TIMING: 720400 CPU: 2163.4, 0.00306105/step Wall: 2163.4, 0.00306105/step, 3.63891 hours remaining, 207.648438 MB of memory in use. ENERGY: 720400 714.6390 2140.0491 1954.3663 112.6347 -205505.8980 17462.8533 0.0000 0.0000 33984.2064 -149137.1491 296.7925 -183121.3556 -149037.0827 299.5535 -22.2627 6.8516 557442.5820 4.1496 4.3574 PRESSURE: 720600 146.679 58.5161 34.3546 58.5161 204.434 33.5057 34.3547 33.5081 120.619 GPRESSURE: 720600 145.436 127.322 -12.1412 87.8985 220.928 46.1538 59.3737 42.0153 196.741 PRESSAVG: 720600 -107.826 23.5252 -3.8693 23.5253 34.419 -28.5447 -3.86925 -28.5447 20.2988 GPRESSAVG: 720600 -108.634 22.2607 -2.08755 22.6577 35.7812 -27.8016 -6.58269 -29.5648 20.0149 TIMING: 720600 CPU: 2164, 0.00301022/step Wall: 2164, 0.00301022/step, 3.57831 hours remaining, 207.851562 MB of memory in use. ENERGY: 720600 735.2014 2110.7432 1926.7424 117.8154 -206279.4135 17857.0934 0.0000 0.0000 34428.7857 -149103.0320 300.6751 -183531.8177 -149015.9876 298.5504 157.2441 187.7017 556988.5617 -17.7027 -17.6128 PRESSURE: 720800 223.777 6.69212 105.939 6.69318 -19.9078 -55.0864 105.941 -55.0846 175.496 GPRESSURE: 720800 246.974 37.0455 99.6782 30.27 73.2687 -75.414 126.597 -69.6751 169.671 PRESSAVG: 720800 -11.0226 23.8224 -28.0698 23.8224 49.3829 12.6423 -28.0698 12.6422 -62.2303 GPRESSAVG: 720800 -10.5765 24.4848 -30.7802 24.1245 48.6923 12.2242 -28.6585 11.9738 -62.4379 TIMING: 720800 CPU: 2164.61, 0.00305054/step Wall: 2164.61, 0.00305054/step, 3.62608 hours remaining, 207.851562 MB of memory in use. ENERGY: 720800 711.3587 2044.6136 1930.2890 114.8166 -206121.1564 17911.3331 0.0000 0.0000 34181.3907 -149227.3547 298.5146 -183408.7454 -149129.5477 298.9954 126.4551 163.3047 557137.2209 -7.9567 -8.1074 PRESSURE: 721000 74.3857 204.444 65.6003 204.442 119.947 -81.7523 65.5997 -81.7535 65.193 GPRESSURE: 721000 182.151 127.986 -15.4003 183.748 83.2993 -102.341 127.746 -116.528 94.6202 PRESSAVG: 721000 12.6229 5.0114 15.82 5.01144 -11.4615 16.434 15.8201 16.4341 -16.9458 GPRESSAVG: 721000 13.5567 5.47062 16.219 7.71473 -12.1059 17.739 16.6825 16.7578 -17.6198 TIMING: 721000 CPU: 2165.22, 0.00303897/step Wall: 2165.22, 0.00303897/step, 3.61215 hours remaining, 207.851562 MB of memory in use. ENERGY: 721000 746.1784 2065.7744 1937.6607 109.8936 -206126.5826 17824.4754 0.0000 0.0000 34249.2026 -149193.3975 299.1068 -183442.6002 -149090.0337 299.2846 86.5085 120.0236 555448.2494 -5.2615 -5.3897 PRESSURE: 721200 138.422 48.831 -65.4041 48.8299 261.039 118.257 -65.4042 118.257 125.466 GPRESSURE: 721200 205.566 34.8458 -40.299 2.29405 297.363 52.7295 10.9457 193.75 117.329 PRESSAVG: 721200 -16.4255 0.0761094 -33.2766 0.0761223 -8.16867 19.4706 -33.2767 19.4705 -14.8583 GPRESSAVG: 721200 -18.1905 -0.368139 -33.7817 -3.0575 -8.24765 17.6861 -31.9603 19.0988 -12.9067 TIMING: 721200 CPU: 2165.82, 0.00302328/step Wall: 2165.82, 0.00302328/step, 3.59334 hours remaining, 207.851562 MB of memory in use. ENERGY: 721200 749.6460 2054.0257 1923.1862 109.7403 -206466.6842 18258.7006 0.0000 0.0000 34372.4453 -148998.9402 300.1831 -183371.3855 -148887.8860 299.5018 174.9757 206.7526 555790.4972 -13.1508 -13.1149 PRESSURE: 721400 272.821 43.5489 -90.4346 43.5497 -284.169 -105.736 -90.4342 -105.738 -146.487 GPRESSURE: 721400 307.227 -34.8903 -73.8543 197.04 -257.805 -100.813 -78.1505 -155.205 -112.685 PRESSAVG: 721400 34.8006 41.0726 -41.5033 41.0726 8.07953 -4.27552 -41.5034 -4.27544 1.31997 GPRESSAVG: 721400 33.2594 40.8068 -39.8391 42.7966 9.60459 -2.79877 -43.3016 -2.33545 1.20579 TIMING: 721400 CPU: 2166.43, 0.00302233/step Wall: 2166.43, 0.00302233/step, 3.59203 hours remaining, 207.851562 MB of memory in use. ENERGY: 721400 743.5836 2101.9874 1952.6857 113.2831 -205790.8158 17654.1566 0.0000 0.0000 34147.7643 -149077.3550 298.2209 -183225.1193 -148984.0017 300.0759 -52.6119 -21.0878 557188.4475 14.7334 14.6899 PRESSURE: 721600 -277.29 -207.289 141.463 -207.289 19.5033 -123.695 141.461 -123.694 -135.723 GPRESSURE: 721600 -258.234 -238.781 179.529 -45.5994 -16.7013 -148.428 75.9814 -120.63 -25.1236 PRESSAVG: 721600 52.5027 19.7294 -24.2401 19.7295 35.3096 -24.8781 -24.2401 -24.8781 -63.7012 GPRESSAVG: 721600 53.6695 21.4745 -22.6154 19.5618 33.4342 -26.774 -25.7788 -24.7725 -63.5615 TIMING: 721600 CPU: 2167.04, 0.00304164/step Wall: 2167.04, 0.00304164/step, 3.61482 hours remaining, 207.851562 MB of memory in use. ENERGY: 721600 770.9343 2112.4772 1932.2756 110.4786 -205984.7721 17501.2347 0.0000 0.0000 34369.3617 -149188.0100 300.1562 -183557.3717 -149098.7111 300.1826 -131.1699 -100.0196 556381.9562 8.0370 7.8474 PRESSURE: 721800 296.548 12.1128 114.211 12.113 -76.7288 52.2588 114.21 52.2586 213.532 GPRESSURE: 721800 351.754 35.7315 141.932 49.3042 -74.5921 10.3767 139.974 36.7947 250.485 PRESSAVG: 721800 41.1638 8.95357 -9.67226 8.95359 -82.0996 6.92387 -9.67234 6.92384 28.1302 GPRESSAVG: 721800 41.7438 10.9127 -9.95142 10.3322 -81.734 8.43479 -7.46077 5.54834 27.0267 TIMING: 721800 CPU: 2167.64, 0.00300068/step Wall: 2167.64, 0.00300068/step, 3.56597 hours remaining, 207.851562 MB of memory in use. ENERGY: 721800 740.1841 2091.0852 1920.2634 121.0229 -206567.7832 18080.7658 0.0000 0.0000 34287.3014 -149327.1604 299.4395 -183614.4618 -149230.7762 299.4169 144.4503 175.8824 556758.7063 -4.2686 -4.3212 PRESSURE: 722000 160.653 75.3221 -116.501 75.3226 -30.8243 -84.9372 -116.502 -84.9355 -23.1888 GPRESSURE: 722000 166.361 84.2107 -72.0305 45.8507 28.01 -54.0917 -179.094 -89.7936 5.86779 PRESSAVG: 722000 43.8711 -0.691586 45.6436 -0.691495 -51.1491 23.6355 45.6437 23.6355 -28.5023 GPRESSAVG: 722000 42.6505 -1.65663 43.2303 -2.6413 -50.4193 21.5512 45.1862 25.2776 -27.8425 TIMING: 722000 CPU: 2168.24, 0.00302663/step Wall: 2168.24, 0.00302663/step, 3.59665 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: 722000 739.6035 2053.0888 1932.2586 123.2875 -206314.3577 17836.0689 0.0000 0.0000 34234.4055 -149395.6450 298.9776 -183630.0505 -149294.2143 298.8068 35.5466 66.7462 557269.3595 -11.9268 -11.8704 PRESSURE: 722200 -72.6174 73.1051 90.1131 73.106 -201.307 -50.885 90.1134 -50.8844 -34.7241 GPRESSURE: 722200 -53.7814 2.00468 -19.2559 98.2097 -127.972 -91.416 85.428 -47.5128 -26.4274 PRESSAVG: 722200 -19.6451 -22.2754 22.3894 -22.2755 55.8966 -9.21516 22.3895 -9.2151 -21.1256 GPRESSAVG: 722200 -19.8422 -24.04 22.3935 -21.8314 55.8335 -7.08043 21.0779 -11.4032 -20.5743 TIMING: 722200 CPU: 2168.85, 0.00305546/step Wall: 2168.85, 0.00305546/step, 3.63074 hours remaining, 207.851562 MB of memory in use. ENERGY: 722200 740.4489 2039.9020 1922.1502 115.5734 -205946.1547 17629.6448 0.0000 0.0000 34007.0251 -149491.4103 296.9918 -183498.4354 -149402.5105 298.0809 -102.8829 -69.3938 557021.2908 5.0420 5.1390 PRESSURE: 722400 108.257 -121.094 52.7904 -121.095 21.365 -26.4874 52.7908 -26.4894 90.1976 GPRESSURE: 722400 179.931 -152.725 91.8039 -97.6584 54.6458 -23.8042 45.2159 7.83276 83.9888 PRESSAVG: 722400 69.0048 32.5067 -42.8446 32.5067 -14.1606 6.05664 -42.8447 6.05654 -39.1059 GPRESSAVG: 722400 70.4915 33.5674 -41.4131 32.5395 -14.9862 6.40556 -41.0665 6.51021 -39.9241 TIMING: 722400 CPU: 2169.47, 0.0030718/step Wall: 2169.47, 0.0030718/step, 3.64998 hours remaining, 207.851562 MB of memory in use. ENERGY: 722400 723.9119 2061.5996 1945.2323 102.4511 -206439.6270 17946.9897 0.0000 0.0000 34256.7965 -149402.6460 299.1731 -183659.4426 -149298.7985 298.1006 73.2730 106.1884 556252.2870 5.2461 5.1937 PRESSURE: 722600 71.6225 -6.15558 79.4047 -6.15443 -24.2014 48.2065 79.4055 48.2061 -17.1009 GPRESSURE: 722600 144.129 82.6495 -35.8435 -55.6162 31.1635 -3.28246 101.009 0.0184672 -57.6596 PRESSAVG: 722600 26.9124 31.0482 82.8732 31.0481 -38.7244 -98.6849 82.8732 -98.6849 -28.8576 GPRESSAVG: 722600 26.8358 31.4069 80.7495 30.0122 -38.9194 -99.4587 80.4155 -97.4609 -28.2212 TIMING: 722600 CPU: 2170.08, 0.00304564/step Wall: 2170.08, 0.00304564/step, 3.61872 hours remaining, 207.851562 MB of memory in use. ENERGY: 722600 732.4626 2070.0209 1935.8265 114.8245 -206133.8361 17792.4276 0.0000 0.0000 34084.5004 -149403.7735 297.6684 -183488.2739 -149312.6740 298.5987 10.1067 39.2109 557774.3015 -13.5565 -13.4349 PRESSURE: 722800 -49.3129 210.319 150.843 210.319 -207.288 29.5288 150.842 29.528 -157.698 GPRESSURE: 722800 1.89513 222.925 113.274 133.477 -203.838 -13.8009 135.322 36.8669 -113.937 PRESSAVG: 722800 11.4627 36.3636 87.2267 36.3636 -2.27473 24.202 87.2267 24.2019 -38.8927 GPRESSAVG: 722800 11.5037 35.3446 86.8574 37.7549 -3.04187 23.2545 89.9741 22.9371 -38.1644 TIMING: 722800 CPU: 2170.68, 0.00300913/step Wall: 2170.68, 0.00300913/step, 3.57518 hours remaining, 207.851562 MB of memory in use. ENERGY: 722800 734.6409 2061.5438 1964.0285 123.3975 -206177.2789 17692.4363 0.0000 0.0000 34312.7966 -149288.4353 299.6622 -183601.2319 -149190.0476 299.1103 -138.0997 -105.2933 559131.8236 -9.9016 -9.9008 PRESSURE: 723000 131.843 -4.83109 -107.349 -4.83161 -118.85 7.89564 -107.348 7.89502 -164.517 GPRESSURE: 723000 122.273 22.541 -45.997 -88.0749 -75.5375 109.315 -80.6946 -74.9933 -98.8206 PRESSAVG: 723000 -5.80206 -11.6981 55.4604 -11.6982 1.40205 35.386 55.4605 35.3861 10.2714 GPRESSAVG: 723000 -6.70188 -11.0713 56.3119 -12.258 2.03082 38.5037 54.3864 33.3692 10.0041 TIMING: 723000 CPU: 2171.28, 0.00299576/step Wall: 2171.28, 0.00299576/step, 3.55913 hours remaining, 207.851562 MB of memory in use. ENERGY: 723000 724.5081 2129.7670 1902.2902 99.3642 -206184.2305 17787.8525 0.0000 0.0000 34138.0367 -149402.4117 298.1360 -183540.4484 -149298.9027 298.3283 -50.5082 -17.3616 558164.9641 1.9571 1.7777 PRESSURE: 723200 14.3764 -96.8973 14.4777 -96.8981 -55.9769 -61.8121 14.4786 -61.8106 -59.8332 GPRESSURE: 723200 5.02195 -75.6664 27.0805 -48.8183 -20.5012 -40.5848 70.6144 -79.2216 2.9389 PRESSAVG: 723200 7.53923 -18.1707 25.9932 -18.1706 10.6127 17.5636 25.9934 17.5636 -27.2733 GPRESSAVG: 723200 7.25953 -16.5603 28.0731 -19.6901 10.774 16.9019 26.3861 19.0303 -27.5864 TIMING: 723200 CPU: 2171.87, 0.0029836/step Wall: 2171.87, 0.0029836/step, 3.54451 hours remaining, 207.851562 MB of memory in use. ENERGY: 723200 764.5031 2064.5406 1929.8547 119.2173 -206375.4845 17936.1547 0.0000 0.0000 34160.7309 -149400.4831 298.3342 -183561.2140 -149305.0957 298.3183 -33.8112 -4.1801 558161.2365 -3.0404 -3.1843 PRESSURE: 723400 -135.774 -11.594 65.9319 -11.5944 -212.495 130.539 65.9308 130.538 -81.3081 GPRESSURE: 723400 -93.0359 50.1739 148.526 92.466 -113.867 79.1921 30.7042 179.783 -138.909 PRESSAVG: 723400 -18.5654 -9.75163 2.76084 -9.75174 36.1306 13.4944 2.7608 13.4944 -58.682 GPRESSAVG: 723400 -19.7344 -11.9063 1.63345 -7.57563 37.0252 12.4693 2.5716 13.0348 -58.4909 TIMING: 723400 CPU: 2172.48, 0.00300337/step Wall: 2172.48, 0.00300337/step, 3.56783 hours remaining, 207.851562 MB of memory in use. ENERGY: 723400 791.1435 2070.6981 1942.4715 116.0880 -206100.3256 17704.1105 0.0000 0.0000 34172.4884 -149303.3256 298.4368 -183475.8140 -149210.3004 298.7329 -143.1925 -115.2705 558292.0237 -13.7056 -13.7334 PRESSURE: 723600 -26.2872 86.4823 71.1867 86.4816 -191.088 -14.5797 71.1865 -14.5801 -54.0759 GPRESSURE: 723600 10.3796 34.5708 -69.8561 171.182 -249.161 49.704 94.6074 -27.0968 77.5821 PRESSAVG: 723600 -47.4696 -16.9107 -5.5707 -16.9108 -2.20898 -0.485944 -5.57057 -0.4859 45.79 GPRESSAVG: 723600 -46.3343 -16.517 -6.8812 -15.8485 -2.7308 0.885948 -6.91893 1.48959 45.3863 TIMING: 723600 CPU: 2173.08, 0.00299853/step Wall: 2173.08, 0.00299853/step, 3.56192 hours remaining, 207.851562 MB of memory in use. ENERGY: 723600 767.8538 2077.8449 1915.4196 109.1164 -206050.7737 17778.1393 0.0000 0.0000 34168.8728 -149233.5270 298.4053 -183402.3997 -149141.8004 298.5830 -90.4839 -53.7331 559364.9167 -1.2962 -1.2263 PRESSURE: 723800 -149.611 -59.1027 -75.6094 -59.1016 -2.43902 -130.314 -75.6088 -130.314 193.446 GPRESSURE: 723800 -122.27 -1.89574 -93.8003 -17.8429 80.163 -140.386 -125.973 -28.7535 165.546 PRESSAVG: 723800 -44.2846 -14.3182 -30.5201 -14.3182 0.864475 11.4958 -30.5202 11.4959 27.1656 GPRESSAVG: 723800 -44.1771 -12.9655 -31.2069 -15.2461 -0.141503 11.0847 -29.0906 10.7342 28.0868 TIMING: 723800 CPU: 2173.67, 0.00299444/step Wall: 2173.67, 0.00299444/step, 3.55689 hours remaining, 207.851562 MB of memory in use. ENERGY: 723800 746.8643 2110.7182 1923.3450 110.7119 -206304.7380 18029.4321 0.0000 0.0000 34057.3618 -149326.3048 297.4314 -183383.6666 -149224.5288 298.2125 13.7985 41.1464 558316.0223 -5.4182 -5.4106 PRESSURE: 724000 -147.358 177.743 -12.848 177.743 74.0314 17.2389 -12.8483 17.2393 27.813 GPRESSURE: 724000 -131.173 214.458 75.7462 48.3775 127.318 63.8861 -67.0361 -98.4773 57.7001 PRESSAVG: 724000 -41.2962 60.1232 -39.0622 60.1233 86.7123 -31.2969 -39.0622 -31.2969 -32.2351 GPRESSAVG: 724000 -41.5509 60.3193 -38.1633 58.3725 87.9477 -32.2821 -38.5977 -31.9648 -33.6444 TIMING: 724000 CPU: 2174.28, 0.00300669/step Wall: 2174.28, 0.00300669/step, 3.57128 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: 724000 769.3350 2102.2421 1937.9531 130.7533 -206712.4926 18072.7686 0.0000 0.0000 34388.1594 -149311.2813 300.3203 -183699.4406 -149211.3256 298.9929 -15.1713 17.9482 557536.9774 4.3937 4.2508 PRESSURE: 724200 111.505 6.1969 223.758 6.19728 -47.6464 -53.1947 223.758 -53.1951 -236.059 GPRESSURE: 724200 147.788 30.1762 227.912 16.9958 -94.1572 -28.5225 276.174 -13.7298 -139.123 PRESSAVG: 724200 4.08075 -12.1493 81.9448 -12.1494 44.1002 -47.091 81.9447 -47.0909 -77.2762 GPRESSAVG: 724200 3.78258 -14.4002 81.8754 -10.6867 43.2456 -45.5631 82.2102 -47.1894 -76.0717 TIMING: 724200 CPU: 2174.87, 0.00299413/step Wall: 2174.87, 0.00299413/step, 3.55619 hours remaining, 207.851562 MB of memory in use. ENERGY: 724200 756.4292 2003.7575 1923.1262 116.7904 -206334.9787 17960.8714 0.0000 0.0000 34397.8696 -149176.1344 300.4052 -183574.0040 -149084.8908 298.8747 -57.4001 -28.4974 558991.4681 -9.6984 -9.6812 LDB: ============= START OF LOAD BALANCING ============== 2178.39 LDB: ============== END OF LOAD BALANCING =============== 2178.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2178.39 LDB: ============= START OF LOAD BALANCING ============== 2178.69 LDB: Largest compute 4773 load 0.025620 is 21.7% of average load 0.117960 LDB: Average compute 0.001731 is 1.5% of average load 0.117960 LDB: TIME 2178.69 LOAD: AVG 0.11796 MAX 0.210325 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.883 MB LDB: TIME 2178.69 LOAD: AVG 0.11796 MAX 0.210325 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.953 MB LDB: TIME 2178.69 LOAD: AVG 0.11796 MAX 0.210325 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.953 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2178.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2178.7 PRESSURE: 724400 -59.7499 158.759 117.355 158.76 -70.8687 120.197 117.356 120.196 -244.594 GPRESSURE: 724400 -78.1566 232 59.1575 116.193 -15.5834 140.944 35.9954 90.9595 -185.476 PRESSAVG: 724400 -13.9089 13.5818 52.8276 13.5817 66.0314 -77.1844 52.8276 -77.1844 -34.4851 GPRESSAVG: 724400 -13.7895 13.7417 54.3946 14.1336 66.7606 -78.5908 50.9893 -75.2106 -35.6148 TIMING: 724400 CPU: 2175.48, 0.00305032/step Wall: 2175.48, 0.00305032/step, 3.62276 hours remaining, 210.015625 MB of memory in use. ENERGY: 724400 743.9867 2046.5355 1915.8377 103.2571 -205805.4275 17501.8552 0.0000 0.0000 34271.6688 -149222.2865 299.3030 -183493.9554 -149124.3159 299.8802 -125.0709 -93.0719 557916.1139 5.8791 5.7855 PRESSURE: 724600 -2.91663 -2.96251 -16.5594 -2.9617 220.901 -41.982 -16.5609 -41.9835 225.096 GPRESSURE: 724600 45.4417 -58.9027 -0.119037 -75.4763 228.871 -32.4976 -98.2222 -44.2593 268.134 PRESSAVG: 724600 51.9136 -6.59119 18.2864 -6.59124 60.4654 -60.3844 18.2864 -60.3845 -94.1043 GPRESSAVG: 724600 50.766 -6.71575 15.3435 -9.39603 59.9262 -59.4225 20.6638 -61.8668 -92.6819 TIMING: 724600 CPU: 2176.09, 0.00302476/step Wall: 2176.09, 0.00302476/step, 3.59224 hours remaining, 210.085938 MB of memory in use. ENERGY: 724600 731.8151 2122.8771 1940.9048 120.6183 -206520.8352 18090.4354 0.0000 0.0000 34131.2325 -149382.9519 298.0765 -183514.1845 -149295.5403 298.7096 147.6934 180.8155 556089.8701 6.0916 6.0034 PRESSURE: 724800 114.3 274.424 -125.812 274.423 -115.917 -350.431 -125.812 -350.432 -22.4792 GPRESSURE: 724800 101.435 225.316 -89.7201 268.537 -83.2211 -232.602 -90.7903 -376.977 57.3085 PRESSAVG: 724800 -3.80913 20.6223 30.8435 20.6223 3.35427 -83.5957 30.8436 -83.5957 -12.3701 GPRESSAVG: 724800 -2.44838 20.9681 32.6682 21.151 2.40686 -83.0389 29.6727 -81.18 -12.3145 TIMING: 724800 CPU: 2176.69, 0.00299337/step Wall: 2176.69, 0.00299337/step, 3.55479 hours remaining, 210.085938 MB of memory in use. ENERGY: 724800 735.9672 2101.4520 1903.9106 111.9199 -206338.7106 17875.7394 0.0000 0.0000 34041.7160 -149568.0056 297.2948 -183609.7215 -149467.2226 298.0558 -8.0322 25.1741 557153.6958 -4.2750 -4.1187 PRESSURE: 725000 245.226 -140.241 54.8822 -140.242 -9.66172 -67.6941 54.8814 -67.6944 355.321 GPRESSURE: 725000 242.566 -96.4587 53.5298 -161.187 29.6322 -37.9739 25.8489 -138.53 426.357 PRESSAVG: 725000 -46.4763 -21.4972 19.6104 -21.4972 6.85947 -10.6539 19.6105 -10.654 39.9573 GPRESSAVG: 725000 -47.5351 -21.4069 20.4251 -19.8865 7.26463 -10.0161 19.3387 -13.7377 39.8926 TIMING: 725000 CPU: 2177.29, 0.00299091/step Wall: 2177.29, 0.00299091/step, 3.5517 hours remaining, 210.085938 MB of memory in use. ENERGY: 725000 715.4582 2013.1711 1918.4260 110.4192 -206615.6505 18171.0785 0.0000 0.0000 34126.4593 -149560.6380 298.0349 -183687.0973 -149465.4584 297.4637 196.9619 232.8519 556037.6833 0.1135 -0.1260 PRESSURE: 725200 -123.986 -82.3781 211.716 -82.3773 -51.6171 -16.4509 211.716 -16.4505 25.6837 GPRESSURE: 725200 -61.5185 -93.6312 110.32 -147.223 -38.4913 -89.3614 230.98 48.437 45.1022 PRESSAVG: 725200 -91.7637 2.84981 31.6425 2.84986 -44.2578 -12.5504 31.6425 -12.5504 69.1282 GPRESSAVG: 725200 -91.2631 2.84716 29.0977 0.670041 -44.1606 -12.9467 34.3346 -12.2012 68.3723 TIMING: 725200 CPU: 2177.89, 0.00301746/step Wall: 2177.89, 0.00301746/step, 3.58307 hours remaining, 210.085938 MB of memory in use. ENERGY: 725200 723.9447 2081.6336 1892.3507 109.3717 -205932.9601 17713.4074 0.0000 0.0000 34168.5419 -149243.7100 298.4024 -183412.2519 -149142.5959 298.7007 -49.9732 -18.3025 558014.2651 -22.2977 -22.3505 PRESSURE: 725400 -211.458 95.7675 -110.796 95.768 -98.2324 170.552 -110.797 170.553 -76.3423 GPRESSURE: 725400 -221.647 1.37984 -202.116 204.27 -34.5755 100.743 -156.123 169.254 -28.4665 PRESSAVG: 725400 18.0674 22.7564 63.2253 22.7564 -60.4229 -0.431377 63.2253 -0.431262 26.9517 GPRESSAVG: 725400 17.8976 20.7163 65.1813 25.7089 -60.2388 -1.05387 62.6278 0.86483 27.7919 TIMING: 725400 CPU: 2178.49, 0.00300018/step Wall: 2178.49, 0.00300018/step, 3.56238 hours remaining, 210.085938 MB of memory in use. ENERGY: 725400 760.1470 2072.7771 1954.1863 113.6417 -206383.9493 17851.8176 0.0000 0.0000 34179.9563 -149451.4233 298.5021 -183631.3796 -149350.6815 298.8410 -128.6776 -94.8964 558923.3769 -5.1346 -4.8498 PRESSURE: 725600 9.90201 -139.146 21.7477 -139.145 87.2243 12.166 21.7476 12.1672 74.0974 GPRESSURE: 725600 28.1992 -195.331 -11.7799 -74.9754 86.3792 34.4046 34.1145 63.6003 156.53 PRESSAVG: 725600 7.78419 -35.8794 1.32507 -35.8793 -34.8873 29.2347 1.32512 29.2346 36.2737 GPRESSAVG: 725600 8.73996 -35.247 0.0386992 -36.6993 -35.9821 28.2831 0.194702 27.996 36.4904 TIMING: 725600 CPU: 2179.09, 0.00301675/step Wall: 2179.09, 0.00301675/step, 3.58188 hours remaining, 210.085938 MB of memory in use. ENERGY: 725600 742.5818 2086.5919 1928.4444 114.5052 -206533.1813 18028.9023 0.0000 0.0000 34170.2255 -149461.9302 298.4171 -183632.1557 -149366.7489 298.9806 57.0746 90.3694 557940.4902 3.0568 3.0828 PRESSURE: 725800 185.932 -186.868 -40.2014 -186.868 90.7189 106.747 -40.2016 106.746 -116.648 GPRESSURE: 725800 187.544 -109.387 -51.7363 -181.64 152.834 113.856 -72.3387 115.124 -89.3807 PRESSAVG: 725800 -16.5569 -28.1843 -10.7919 -28.1843 18.4597 -10.9638 -10.7918 -10.9639 0.775042 GPRESSAVG: 725800 -17.5301 -28.0798 -10.6119 -28.3049 19.8 -9.57809 -12.396 -9.44049 0.287947 TIMING: 725800 CPU: 2179.7, 0.00302607/step Wall: 2179.7, 0.00302607/step, 3.59279 hours remaining, 210.085938 MB of memory in use. ENERGY: 725800 693.1723 2079.1345 1932.2866 111.4505 -206614.9854 17957.3078 0.0000 0.0000 34419.6166 -149422.0170 300.5951 -183841.6336 -149318.5197 298.2920 53.3343 83.6660 556723.4708 0.8926 0.8526 PRESSURE: 726000 -219.99 71.0808 33.2953 71.0801 125.691 -160.619 33.2955 -160.619 -40.457 GPRESSURE: 726000 -106.488 131.801 79.9095 83.6508 162.299 -77.2659 54.9258 -209.074 -95.8195 PRESSAVG: 726000 20.9855 -74.7912 38.415 -74.7913 26.3177 55.8988 38.415 55.8989 -41.4637 GPRESSAVG: 726000 22.0817 -75.0229 38.7696 -75.1118 26.1627 55.9241 38.7545 55.1923 -41.8475 TIMING: 726000 CPU: 2180.3, 0.00301308/step Wall: 2180.3, 0.00301308/step, 3.57719 hours remaining, 210.343750 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: 726000 763.7019 2048.5968 1907.9655 105.6454 -206270.4625 17883.1777 0.0000 0.0000 34046.1993 -149515.1759 297.3339 -183561.3752 -149415.9961 298.8297 -44.9188 -13.3365 557623.6141 1.9465 2.1323 PRESSURE: 726200 -131.199 -105.25 -102.623 -105.251 -125.554 6.83588 -102.622 6.83541 -29.1088 GPRESSURE: 726200 -103.483 -141.59 -74.8884 -77.345 -105.459 21.5859 -177.515 -40.3503 9.58525 PRESSAVG: 726200 49.1325 8.92624 5.73583 8.92626 6.00731 5.53591 5.73588 5.53587 -85.1494 GPRESSAVG: 726200 47.5335 9.72397 7.25154 8.59886 5.81464 5.70694 4.01647 6.86968 -83.7939 TIMING: 726200 CPU: 2180.91, 0.00306195/step Wall: 2180.91, 0.00306195/step, 3.63505 hours remaining, 210.343750 MB of memory in use. ENERGY: 726200 760.6626 2084.3529 1944.4933 111.5082 -206349.9054 17769.9466 0.0000 0.0000 34291.8042 -149387.1375 299.4789 -183678.9417 -149285.9020 298.6250 -95.2874 -66.4523 556861.1824 -10.0032 -10.1486 PRESSURE: 726400 90.6704 163.805 57.4876 163.806 383.964 -199.263 57.4883 -199.263 233.081 GPRESSURE: 726400 170.711 219.835 123.748 181.805 352.179 -192.211 85.5898 -118.228 275.356 PRESSAVG: 726400 -10.0908 26.8995 8.7538 26.8995 66.4309 1.25896 8.7539 1.25905 -7.70203 GPRESSAVG: 726400 -9.44081 25.3669 5.38793 29.8136 66.0328 0.603646 11.7336 0.27459 -8.64471 TIMING: 726400 CPU: 2181.52, 0.00304301/step Wall: 2181.52, 0.00304301/step, 3.61239 hours remaining, 210.343750 MB of memory in use. ENERGY: 726400 731.3767 2086.5930 1935.1034 118.5474 -206658.7028 18197.4540 0.0000 0.0000 34374.3249 -149215.3034 300.1995 -183589.6283 -149119.0984 299.1286 235.9054 266.0821 556460.9728 16.2127 15.9824 PRESSURE: 726600 87.1926 132.089 55.7183 132.089 170.509 21.1489 55.719 21.1479 51.6313 GPRESSURE: 726600 100.51 143.03 44.9763 88.2208 225.372 22.4792 36.2874 122.678 72.6653 PRESSAVG: 726600 -18.4013 35.0534 34.1724 35.0534 22.0769 54.8383 34.1723 54.8384 16.7626 GPRESSAVG: 726600 -18.6174 35.2093 38.0443 34.2078 22.7018 56.0319 31.2604 53.9903 16.0504 TIMING: 726600 CPU: 2182.13, 0.0030161/step Wall: 2182.13, 0.0030161/step, 3.58028 hours remaining, 210.343750 MB of memory in use. ENERGY: 726600 734.6979 2083.1166 1919.7505 109.3054 -206425.1734 17891.5602 0.0000 0.0000 34523.2720 -149163.4708 301.5003 -183686.7428 -149059.6882 299.8915 103.1109 132.8490 557088.7972 6.8127 6.7116 PRESSURE: 726800 -230.849 -110.344 -6.66343 -110.344 20.0897 -87.547 -6.6644 -87.5474 109.372 GPRESSURE: 726800 -171.977 -51.1291 5.1329 -188.064 22.8127 -140.531 -13.0959 -33.755 148.4 PRESSAVG: 726800 36.7279 -26.6367 12.8642 -26.6368 0.934354 25.3395 12.8641 25.3396 12.2488 GPRESSAVG: 726800 36.6159 -26.9183 12.8511 -26.8488 0.823823 23.1938 13.7501 26.1476 13.1919 TIMING: 726800 CPU: 2182.73, 0.00303246/step Wall: 2182.73, 0.00303246/step, 3.59953 hours remaining, 210.343750 MB of memory in use. ENERGY: 726800 746.3366 2122.5536 1962.0972 107.1179 -206346.6923 17801.5698 0.0000 0.0000 34354.0574 -149252.9598 300.0225 -183607.0172 -149158.9750 299.1614 -33.7960 -0.2549 557418.7634 16.6370 16.8772 PRESSURE: 727000 393.226 200.547 -123.683 200.548 73.0045 41.893 -123.682 41.894 123.979 GPRESSURE: 727000 338.349 242.88 -173.176 164.697 107.048 68.692 -39.0187 8.8404 231.092 PRESSAVG: 727000 0.668491 -13.635 5.67756 -13.6349 -7.10044 23.469 5.67757 23.469 -8.12846 GPRESSAVG: 727000 -0.0908224 -12.9391 4.79941 -14.0216 -6.44315 25.6679 6.6038 21.9239 -7.88708 TIMING: 727000 CPU: 2183.34, 0.00303767/step Wall: 2183.34, 0.00303767/step, 3.60554 hours remaining, 210.343750 MB of memory in use. ENERGY: 727000 778.7127 2059.5311 1925.5522 100.7299 -206951.0701 18285.2538 0.0000 0.0000 34526.0650 -149275.2254 301.5247 -183801.2904 -149173.8813 299.0489 196.7363 225.4962 557003.4714 -4.8535 -4.8070 PRESSURE: 727200 -28.3686 -66.4766 -150.398 -66.4766 -15.8633 65.0144 -150.397 65.0162 65.019 GPRESSURE: 727200 21.3639 -43.7183 -235.491 -145.64 74.2783 -8.43933 -20.5754 133.574 22.6144 PRESSAVG: 727200 -1.19794 -10.7687 4.58833 -10.7688 -9.17144 32.387 4.5883 32.387 39.1508 GPRESSAVG: 727200 -1.06027 -11.085 3.65185 -11.9264 -9.74265 32.0936 4.28734 32.3607 39.2832 TIMING: 727200 CPU: 2183.94, 0.00300974/step Wall: 2183.94, 0.00300974/step, 3.57223 hours remaining, 210.343750 MB of memory in use. ENERGY: 727200 732.3033 2096.6435 1920.4728 124.0475 -205825.6700 17775.0843 0.0000 0.0000 34132.9369 -149044.1817 298.0914 -183177.1186 -148947.4951 299.4833 6.9290 39.4189 558119.0365 9.5938 9.4934 PRESSURE: 727400 13.9113 3.77447 129.653 3.77345 151.828 -211.878 129.653 -211.878 32.8152 GPRESSURE: 727400 69.5998 17.0687 130.239 10.7263 174.475 -167.533 82.5986 -154.087 58.7489 PRESSAVG: 727400 74.8224 0.702447 -35.7433 0.702533 6.37519 20.5188 -35.7433 20.5188 -34.6508 GPRESSAVG: 727400 76.5353 -0.505804 -35.1993 2.63755 6.50542 19.418 -35.4784 23.3393 -36.5505 TIMING: 727400 CPU: 2184.55, 0.00303192/step Wall: 2184.55, 0.00303192/step, 3.59839 hours remaining, 210.343750 MB of memory in use. ENERGY: 727400 760.4297 2086.9467 1924.8668 105.5443 -205842.7002 17918.6830 0.0000 0.0000 33929.6848 -149116.5448 296.3164 -183046.2296 -149018.0288 299.5172 66.1848 100.9414 557819.8671 15.5156 15.4967 PRESSURE: 727600 -7.14393 8.28192 162.14 8.28227 -183.613 32.517 162.139 32.5183 -84.6395 GPRESSURE: 727600 42.6172 67.6337 96.8042 38.3125 -160.938 46.2905 210.444 84.9206 -53.1017 PRESSAVG: 727600 -16.1895 13.329 -27.2264 13.329 -25.5608 -4.65565 -27.2263 -4.65568 21.4156 GPRESSAVG: 727600 -18.0963 16.383 -29.3594 10.3389 -25.4141 -1.98713 -26.6812 -8.28014 23.1798 TIMING: 727600 CPU: 2185.15, 0.00303043/step Wall: 2185.15, 0.00303043/step, 3.59645 hours remaining, 210.343750 MB of memory in use. ENERGY: 727600 743.7791 2097.6126 1919.5146 92.9002 -205815.2934 17697.8205 0.0000 0.0000 34047.9380 -149215.7282 297.3491 -183263.6663 -149125.5215 298.6141 -91.7989 -57.1408 558026.8371 -6.7783 -6.7769 PRESSURE: 727800 -124.417 -53.9676 102.252 -53.9669 -17.5754 0.367671 102.253 0.368494 -205.422 GPRESSURE: 727800 -85.729 -53.0075 79.8669 -46.5229 10.3732 -41.7653 150.856 60.0617 -170.756 PRESSAVG: 727800 12.5058 0.264287 -25.0755 0.264255 49.6711 -18.7238 -25.0755 -18.7238 -73.2618 GPRESSAVG: 727800 13.42 -3.57661 -21.32 2.41274 50.0321 -21.2906 -29.5012 -15.8204 -74.9192 TIMING: 727800 CPU: 2185.76, 0.00301265/step Wall: 2185.76, 0.00301265/step, 3.57518 hours remaining, 210.343750 MB of memory in use. ENERGY: 727800 723.6108 2047.3496 1947.0501 114.4297 -206043.4730 17634.7348 0.0000 0.0000 34320.6696 -149255.6283 299.7309 -183576.2979 -149151.1806 298.6915 -115.8048 -82.0372 558337.5249 -3.6949 -3.8224 PRESSURE: 728000 -187.359 47.5852 -20.9555 47.5849 243.719 53.5723 -20.955 53.5714 -153.691 GPRESSURE: 728000 -156.407 116.548 57.262 38.0606 267.745 106.395 49.0683 80.1734 -113.014 PRESSAVG: 728000 -85.0766 4.61153 9.75192 4.6115 9.31675 1.95773 9.75196 1.95776 46.1241 GPRESSAVG: 728000 -85.0753 5.73329 8.43383 5.79684 8.88735 3.94048 13.5045 1.53558 47.0023 TIMING: 728000 CPU: 2186.35, 0.0029934/step Wall: 2186.35, 0.0029934/step, 3.55216 hours remaining, 210.343750 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: 728000 756.3156 2070.0057 1914.2857 118.7588 -206394.9427 17963.3193 0.0000 0.0000 34220.3231 -149351.9346 298.8546 -183572.2577 -149254.1223 298.2051 -32.4438 -0.5586 559111.2074 -9.8786 -9.7285 PRESSURE: 728200 113.96 46.7899 176.889 46.7898 -360.491 194.418 176.889 194.419 -58.7544 GPRESSURE: 728200 80.2901 89.6772 146.767 44.2195 -302.362 187.41 137.405 208.534 12.7673 PRESSAVG: 728200 -68.394 41.2854 28.0338 41.2854 -17.6578 7.72344 28.0338 7.72354 95.7629 GPRESSAVG: 728200 -67.9465 42.6358 27.241 40.0293 -17.8326 4.92969 26.9203 9.09328 95.0887 TIMING: 728200 CPU: 2186.95, 0.00299032/step Wall: 2186.95, 0.00299032/step, 3.54835 hours remaining, 210.343750 MB of memory in use. ENERGY: 728200 768.7506 2120.9217 1944.3731 124.3476 -206302.6849 17716.7238 0.0000 0.0000 34223.5176 -149404.0505 298.8825 -183627.5681 -149315.7313 298.5935 -101.7618 -69.7683 557569.4824 3.2371 3.1032 LDB: ============= START OF LOAD BALANCING ============== 2190.47 LDB: ============== END OF LOAD BALANCING =============== 2190.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2190.47 LDB: ============= START OF LOAD BALANCING ============== 2190.77 LDB: Largest compute 4773 load 0.026663 is 22.6% of average load 0.118014 LDB: Average compute 0.001729 is 1.5% of average load 0.118014 LDB: TIME 2190.78 LOAD: AVG 0.118014 MAX 0.210793 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.285 MB LDB: TIME 2190.78 LOAD: AVG 0.118014 MAX 0.210793 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.488 MB LDB: TIME 2190.78 LOAD: AVG 0.118014 MAX 0.210793 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.488 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2190.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2190.78 PRESSURE: 728400 -148.283 -106.803 -111.221 -106.804 82.0299 53.1642 -111.22 53.1638 -115.921 GPRESSURE: 728400 -73.2834 -93.8755 -14.973 -60.4188 96.1896 3.23935 -48.7291 28.5101 -98.6606 PRESSAVG: 728400 -12.2799 34.669 8.2725 34.669 -2.5115 6.98016 8.27253 6.98007 62.4056 GPRESSAVG: 728400 -12.6402 34.7078 10.1078 36.0187 -2.27159 8.61698 9.54797 5.79367 62.886 TIMING: 728400 CPU: 2187.57, 0.00307151/step Wall: 2187.57, 0.00307151/step, 3.64452 hours remaining, 208.984375 MB of memory in use. ENERGY: 728400 743.3295 2080.7463 1898.1063 105.6829 -206624.9271 17961.1238 0.0000 0.0000 34382.3082 -149453.6301 300.2692 -183835.9383 -149354.9530 298.7395 -60.7248 -25.2515 558243.9298 15.8714 15.9914 PRESSURE: 728600 -195.844 0.707729 -122.614 0.707921 -182.026 -115.424 -122.613 -115.426 -140.344 GPRESSURE: 728600 -167.498 28.1376 -166.736 -38.5665 -151.445 -135.849 -152.301 -138.981 -96.5628 PRESSAVG: 728600 0.908419 24.0578 -27.3053 24.0578 -26.9624 -59.5438 -27.3053 -59.5439 22.9522 GPRESSAVG: 728600 0.477549 23.8498 -28.728 23.9618 -27.3671 -61.3572 -28.3804 -58.9428 23.6083 TIMING: 728600 CPU: 2188.17, 0.0030178/step Wall: 2188.17, 0.0030178/step, 3.58062 hours remaining, 209.054688 MB of memory in use. ENERGY: 728600 778.5767 2032.9596 1928.6428 104.3064 -206284.4767 17856.7479 0.0000 0.0000 34308.2327 -149275.0107 299.6223 -183583.2434 -149170.9814 298.6146 -172.7379 -138.5022 559099.1116 -1.0339 -1.0938 PRESSURE: 728800 -216.619 -161.746 -65.7557 -161.746 -261.08 71.4709 -65.7546 71.4719 189.883 GPRESSURE: 728800 -197.27 -48.0493 -103.507 -161.086 -275.632 58.0895 -15.4574 104.273 272.529 PRESSAVG: 728800 -17.9813 56.5837 -39.2435 56.5836 -2.60573 -37.2139 -39.2435 -37.2139 54.6645 GPRESSAVG: 728800 -16.9781 57.8136 -39.0112 54.6332 -2.65173 -35.2737 -37.8773 -37.762 54.3806 TIMING: 728800 CPU: 2188.78, 0.00306438/step Wall: 2188.78, 0.00306438/step, 3.63572 hours remaining, 209.054688 MB of memory in use. ENERGY: 728800 756.1704 2063.9810 1929.3445 113.7753 -206161.0375 17850.5322 0.0000 0.0000 34247.6314 -149199.6027 299.0931 -183447.2341 -149106.5730 299.4106 -95.9390 -66.7908 559385.1880 11.3592 11.5836 PRESSURE: 729000 -132.308 -58.4084 -80.6441 -58.4079 -108.763 12.3311 -80.6433 12.3293 -62.1799 GPRESSURE: 729000 -53.1804 -80.2164 -86.6958 -2.90773 -68.9822 133.75 -97.8532 -91.9988 -86.7196 PRESSAVG: 729000 31.3555 -40.7923 -22.861 -40.7924 -66.6824 -11.3196 -22.8611 -11.3195 13.8372 GPRESSAVG: 729000 31.2476 -42.1523 -23.6069 -40.4436 -66.3119 -11.3139 -23.266 -11.6009 13.3778 TIMING: 729000 CPU: 2189.39, 0.00304425/step Wall: 2189.39, 0.00304425/step, 3.61166 hours remaining, 209.054688 MB of memory in use. ENERGY: 729000 714.5218 2106.8980 1905.0230 116.7376 -205698.8204 17560.4105 0.0000 0.0000 34317.1076 -148978.1220 299.6998 -183295.2296 -148877.7093 299.2702 -101.0837 -69.6274 558309.7556 -7.1632 -7.2289 PRESSURE: 729200 -151.806 -19.226 -132.678 -19.2261 -21.9558 -111.14 -132.678 -111.139 -158.862 GPRESSURE: 729200 -118.508 -19.1473 -78.1185 36.5105 42.278 -76.4655 -158.935 -58.5376 -151.207 PRESSAVG: 729200 -0.624249 4.53416 37.3349 4.53414 20.4003 -39.2735 37.3349 -39.2735 -38.9307 GPRESSAVG: 729200 -1.77219 3.89006 36.747 5.35941 20.8652 -40.8258 37.5313 -39.4859 -39.1634 TIMING: 729200 CPU: 2190, 0.00302044/step Wall: 2190, 0.00302044/step, 3.58325 hours remaining, 209.054688 MB of memory in use. ENERGY: 729200 747.3841 2048.3180 1926.5323 100.5217 -205765.2623 17622.4792 0.0000 0.0000 34295.5379 -149024.4892 299.5115 -183320.0271 -148923.5517 300.0744 -110.8746 -75.8125 559094.0202 -6.3849 -6.6901 PRESSURE: 729400 46.9383 100.641 -44.6978 100.64 201.81 -68.5724 -44.6975 -68.5714 19.4837 GPRESSURE: 729400 101.798 180.38 28.5988 71.57 168.082 -41.9444 -80.5541 19.9441 100.62 PRESSAVG: 729400 -70.3915 12.9723 -30.5438 12.9723 24.5286 -57.4532 -30.5438 -57.4532 45.1319 GPRESSAVG: 729400 -69.5405 15.4733 -30.4096 12.0604 24.3141 -54.8923 -29.597 -58.9151 45.0844 TIMING: 729400 CPU: 2190.6, 0.00300037/step Wall: 2190.6, 0.00300037/step, 3.55927 hours remaining, 209.054688 MB of memory in use. ENERGY: 729400 737.7861 2070.6308 1901.5677 112.9024 -206011.5927 17854.7530 0.0000 0.0000 34358.1544 -148975.7984 300.0583 -183333.9528 -148874.2632 299.6476 89.4107 123.4998 557888.2411 -0.2437 -0.0473 PRESSURE: 729600 23.2767 -133.105 32.4186 -133.104 -26.2911 46.1736 32.4173 46.1734 44.3698 GPRESSURE: 729600 57.494 -145.5 21.9969 -152.814 25.6498 57.614 11.9497 -10.2319 53.3228 PRESSAVG: 729600 22.5615 -28.4417 86.3798 -28.4417 12.6601 -23.6518 86.3798 -23.6518 -22.9165 GPRESSAVG: 729600 21.0528 -29.246 86.7836 -26.9167 12.4988 -24.5689 84.2267 -20.1378 -21.8495 TIMING: 729600 CPU: 2191.2, 0.00301129/step Wall: 2191.2, 0.00301129/step, 3.57206 hours remaining, 209.054688 MB of memory in use. ENERGY: 729600 751.7798 2112.1522 1913.6242 120.3559 -205835.7161 17638.6486 0.0000 0.0000 34264.0383 -149035.1171 299.2364 -183299.1554 -148930.8845 299.3725 13.7851 45.4888 556820.5005 4.1017 3.9007 PRESSURE: 729800 -211.997 -180.869 -152.787 -180.869 -56.8588 -0.409036 -152.788 -0.40879 27.7669 GPRESSURE: 729800 -124.066 -222.842 -168.333 -174.403 -62.8724 15.9378 -181.957 -48.8072 36.5914 PRESSAVG: 729800 6.08724 -22.8282 28.5641 -22.8283 -14.0316 16.0381 28.5641 16.0381 38.5347 GPRESSAVG: 729800 8.00675 -19.2109 30.1122 -25.0499 -14.5841 16.1614 28.2088 14.0763 37.2749 TIMING: 729800 CPU: 2191.8, 0.00302561/step Wall: 2191.8, 0.00302561/step, 3.58887 hours remaining, 209.054688 MB of memory in use. ENERGY: 729800 715.3274 2031.4884 1928.0305 109.2473 -206076.4643 17593.2468 0.0000 0.0000 34479.9497 -149219.1743 301.1220 -183699.1241 -149118.4637 299.8680 -80.3630 -50.1157 558323.7452 10.1968 10.2325 PRESSURE: 730000 182.723 11.7401 -23.6726 11.7404 24.6 -14.6453 -23.6729 -14.6456 -41.8539 GPRESSURE: 730000 161.261 -30.5396 -108.273 0.446187 41.827 -2.6147 39.9207 -112.684 64.4451 PRESSAVG: 730000 -14.623 -1.72728 23.803 -1.72729 -28.6265 -0.432944 23.8031 -0.432991 9.38266 GPRESSAVG: 730000 -15.2443 -4.71832 22.1096 0.264785 -28.284 0.203479 26.0256 0.523307 9.24776 TIMING: 730000 CPU: 2192.4, 0.00299497/step Wall: 2192.4, 0.00299497/step, 3.55237 hours remaining, 209.054688 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: 730000 728.3968 1977.8038 1936.4614 109.5784 -205826.8749 17724.9932 0.0000 0.0000 34331.8137 -149017.8277 299.8283 -183349.6414 -148925.4708 300.3340 55.1563 89.1775 557466.3824 -11.2889 -11.4268 PRESSURE: 730200 50.1903 59.3043 251.659 59.3033 224.62 -218.848 251.66 -218.849 18.4467 GPRESSURE: 730200 73.1112 31.088 273.53 103.757 282.161 -200.458 279.766 -113.241 44.4116 PRESSAVG: 730200 -46.3951 25.78 53.8217 25.78 41.0207 -7.61409 53.8217 -7.61404 34.5567 GPRESSAVG: 730200 -47.4308 24.6496 53.4743 26.6172 42.2939 -8.17181 53.1448 -7.9182 34.1822 TIMING: 730200 CPU: 2193, 0.0029996/step Wall: 2193, 0.0029996/step, 3.5577 hours remaining, 209.054688 MB of memory in use. ENERGY: 730200 738.3214 2090.5653 1906.8131 115.2225 -206198.7628 18015.2556 0.0000 0.0000 34221.3559 -149111.2289 298.8636 -183332.5849 -149018.5817 299.8241 97.7523 133.2279 556759.4340 9.7274 9.6818 PRESSURE: 730400 -107.509 -40.2144 167.855 -40.215 -24.1719 63.2489 167.855 63.248 16.4383 GPRESSURE: 730400 -67.872 -11.6736 121.661 -34.0185 40.9684 58.9607 166.318 90.1208 17.7427 PRESSAVG: 730400 12.293 2.80612 25.085 2.80613 -62.6737 4.29575 25.0849 4.29576 25.0395 GPRESSAVG: 730400 13.7457 3.37967 24.2179 1.28282 -64.8851 4.17736 26.5528 3.74588 25.484 TIMING: 730400 CPU: 2193.6, 0.00297708/step Wall: 2193.6, 0.00297708/step, 3.53082 hours remaining, 209.054688 MB of memory in use. ENERGY: 730400 722.0472 2091.7574 1916.2387 108.8235 -206200.5122 17706.6196 0.0000 0.0000 34380.8862 -149274.1395 300.2568 -183655.0257 -149183.2815 298.8543 -38.4140 -3.0536 558223.1334 -8.4471 -8.5518 PRESSURE: 730600 54.0402 -53.3764 -82.0511 -53.3769 -59.9538 125.596 -82.0525 125.595 165.747 GPRESSURE: 730600 71.3078 -60.956 -155.246 -34.4184 -15.4724 118.63 -94.9132 169.328 199.735 PRESSAVG: 730600 53.2637 -20.9734 -19.7446 -20.9733 -73.2656 -14.82 -19.7445 -14.8201 3.16673 GPRESSAVG: 730600 51.9016 -20.7684 -20.3256 -21.6026 -70.7513 -15.0756 -20.1116 -16.0376 1.62219 TIMING: 730600 CPU: 2194.2, 0.00300048/step Wall: 2194.2, 0.00300048/step, 3.5584 hours remaining, 209.054688 MB of memory in use. ENERGY: 730600 722.5800 2062.5584 1947.8698 108.1438 -205986.9295 17719.9491 0.0000 0.0000 34365.3728 -149060.4555 300.1213 -183425.8284 -148973.5299 299.5496 53.2780 85.1901 557461.6714 -5.6117 -5.7425 PRESSURE: 730800 63.268 -128.148 192.836 -128.149 -112.443 -262.845 192.836 -262.844 -277.682 GPRESSURE: 730800 74.3516 -162.815 158.606 -88.5623 -84.3722 -273.468 139.322 -276.209 -219.025 PRESSAVG: 730800 45.8418 -50.3932 -11.042 -50.3933 -37.8166 -14.5965 -11.0421 -14.5965 -10.6592 GPRESSAVG: 730800 46.6217 -50.8972 -10.6513 -47.4028 -39.8346 -14.7344 -11.1683 -13.8201 -9.39737 TIMING: 730800 CPU: 2194.79, 0.00297314/step Wall: 2194.79, 0.00297314/step, 3.52582 hours remaining, 209.054688 MB of memory in use. ENERGY: 730800 738.0983 2067.8592 1918.5228 118.1633 -205922.8337 17623.8299 0.0000 0.0000 34456.2493 -149000.1109 300.9150 -183456.3602 -148906.4999 299.8460 -108.9525 -76.3484 557846.8671 -0.8780 -0.8701 PRESSURE: 731000 -299.468 140.227 95.6499 140.226 24.0321 55.9972 95.6505 55.997 -345.536 GPRESSURE: 731000 -238.727 134.478 129.168 22.4497 38.7945 100.799 77.31 23.4936 -325.733 PRESSAVG: 731000 4.96747 -14.8114 52.2203 -14.8114 -32.8138 -35.1557 52.2204 -35.1557 -1.87986 GPRESSAVG: 731000 4.5392 -13.9291 51.4826 -16.9628 -33.1037 -33.3446 52.4023 -34.7427 -1.18061 TIMING: 731000 CPU: 2195.39, 0.00301011/step Wall: 2195.39, 0.00301011/step, 3.56949 hours remaining, 209.054688 MB of memory in use. ENERGY: 731000 730.6493 2106.7658 1948.8577 118.1403 -205807.9975 17274.9104 0.0000 0.0000 34338.1900 -149290.4839 299.8840 -183628.6739 -149190.8717 299.5751 -206.9908 -175.2221 557992.0623 -9.9087 -9.9151 PRESSURE: 731200 -134.388 -11.3509 -186.265 -11.3523 -389.376 36.0616 -186.263 36.0605 228.656 GPRESSURE: 731200 -131.406 2.73917 -136.388 -10.9307 -307.107 44.2436 -145.552 64.123 244.409 PRESSAVG: 731200 21.6086 16.4786 -22.3772 16.4787 49.6933 47.8286 -22.377 47.8286 -23.2898 GPRESSAVG: 731200 20.8082 14.9849 -21.5507 18.3654 51.0574 45.9762 -23.7647 47.4181 -23.6094 TIMING: 731200 CPU: 2196, 0.00300805/step Wall: 2196, 0.00300805/step, 3.56688 hours remaining, 209.054688 MB of memory in use. ENERGY: 731200 744.1014 2072.4671 1923.7424 112.4221 -205888.4963 17611.0922 0.0000 0.0000 34131.8619 -149292.8092 298.0820 -183424.6711 -149196.8243 299.4443 -98.3694 -64.7011 557344.6146 16.0041 16.0854 PRESSURE: 731400 -162.21 -194.553 -116.517 -194.554 108.01 167.886 -116.517 167.887 -104.007 GPRESSURE: 731400 -136.862 -225.926 -125.45 -149.1 163.692 120.957 -38.7547 157.493 -94.9548 PRESSAVG: 731400 12.9115 -2.01765 -23.5575 -2.01771 4.57968 26.1438 -23.5575 26.1439 -11.6075 GPRESSAVG: 731400 13.3197 0.262979 -24.0008 -4.12918 4.61688 27.1092 -21.8898 27.3067 -11.9856 TIMING: 731400 CPU: 2196.59, 0.00299031/step Wall: 2196.59, 0.00299031/step, 3.54568 hours remaining, 209.054688 MB of memory in use. ENERGY: 731400 787.0423 2110.4908 1944.8941 110.6788 -206195.5975 17690.4013 0.0000 0.0000 34394.1392 -149157.9508 300.3726 -183552.0901 -149058.4027 300.2074 -52.7355 -22.7080 556688.1934 1.9612 1.9837 PRESSURE: 731600 -159.868 109.886 43.6373 109.885 253.728 -82.2882 43.6368 -82.2879 -231.148 GPRESSURE: 731600 -171.068 55.1498 51.7967 158.627 286.172 -195.022 63.9888 -36.5795 -142.48 PRESSAVG: 731600 20.4987 -24.7298 -20.4845 -24.7297 52.4476 49.0342 -20.4845 49.0342 -5.11049 GPRESSAVG: 731600 20.0073 -26.2366 -20.1616 -24.4244 51.6309 47.8743 -21.1529 48.4938 -3.32812 TIMING: 731600 CPU: 2197.19, 0.00296934/step Wall: 2197.19, 0.00296934/step, 3.52065 hours remaining, 209.054688 MB of memory in use. ENERGY: 731600 755.2856 2073.8005 1913.4622 124.1327 -206389.1942 17793.2036 0.0000 0.0000 34565.1328 -149164.1768 301.8659 -183729.3097 -149063.8144 300.5924 -45.7626 -9.1252 557009.2523 22.6119 22.7700 PRESSURE: 731800 -20.7716 197.937 -69.2851 197.936 -46.0554 2.42371 -69.286 2.42387 -141.544 GPRESSURE: 731800 48.2299 261.93 -109.766 144.265 -39.5408 -81.2764 -84.203 70.058 -119.803 PRESSAVG: 731800 -32.8739 37.4165 8.09518 37.4165 35.011 12.8467 8.0952 12.8467 -52.9547 GPRESSAVG: 731800 -31.9722 37.0955 9.29998 38.1281 34.9262 15.2348 6.65744 11.4934 -53.8007 TIMING: 731800 CPU: 2197.78, 0.00295407/step Wall: 2197.78, 0.00295407/step, 3.50238 hours remaining, 209.054688 MB of memory in use. ENERGY: 731800 799.8616 2091.2610 1927.2653 113.8427 -205988.9157 17664.6492 0.0000 0.0000 34179.0352 -149213.0007 298.4940 -183392.0359 -149117.0398 299.4710 -69.4570 -37.0380 556467.6846 -16.9392 -16.9489 PRESSURE: 732000 -102.231 81.8023 -34.4721 81.8033 -313.037 -47.8833 -34.472 -47.8844 -35.5967 GPRESSURE: 732000 -74.1182 83.6462 -7.3366 89.9542 -245.776 40.085 19.1075 -47.6051 -38.5684 PRESSAVG: 732000 55.7755 43.7845 -22.0431 43.7845 -60.7903 17.5003 -22.0431 17.5003 18.0865 GPRESSAVG: 732000 56.1049 44.1279 -21.5183 42.4611 -61.456 16.8618 -22.1016 18.0433 18.039 TIMING: 732000 CPU: 2198.37, 0.002978/step Wall: 2198.37, 0.002978/step, 3.53058 hours remaining, 209.054688 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: 732000 798.1158 2053.8151 1923.0773 110.1892 -206276.2122 17692.2350 0.0000 0.0000 34356.8726 -149341.9071 300.0471 -183698.7798 -149241.9071 298.7777 -150.2881 -119.4875 555798.3239 4.3572 4.2293 PRESSURE: 732200 -194.619 180.47 16.9554 180.47 -63.133 -129.132 16.9554 -129.131 -172.095 GPRESSURE: 732200 -206.388 161.015 30.8123 186.606 -33.0393 -207.023 48.2074 -101.027 -92.1137 PRESSAVG: 732200 27.3191 -32.6334 -21.6554 -32.6334 -23.7866 7.26897 -21.6554 7.26908 10.9459 GPRESSAVG: 732200 27.5526 -31.9618 -22.3202 -31.5613 -23.2373 5.89335 -20.0525 8.33788 10.7774 TIMING: 732200 CPU: 2198.97, 0.00295882/step Wall: 2198.97, 0.00295882/step, 3.50769 hours remaining, 209.054688 MB of memory in use. ENERGY: 732200 792.4373 2052.7542 1912.8674 127.6825 -206154.4201 17752.6438 0.0000 0.0000 34072.1658 -149443.8691 297.5607 -183516.0348 -149346.6205 298.8223 -143.2825 -110.5137 556036.0728 4.8261 5.0309 LDB: ============= START OF LOAD BALANCING ============== 2202.48 LDB: ============== END OF LOAD BALANCING =============== 2202.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2202.48 LDB: ============= START OF LOAD BALANCING ============== 2202.78 LDB: Largest compute 4773 load 0.026827 is 22.8% of average load 0.117918 LDB: Average compute 0.001731 is 1.5% of average load 0.117918 LDB: TIME 2202.78 LOAD: AVG 0.117918 MAX 0.207306 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.816 MB LDB: TIME 2202.78 LOAD: AVG 0.117918 MAX 0.207306 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.824 MB LDB: TIME 2202.78 LOAD: AVG 0.117918 MAX 0.207306 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.824 MB LDB: ============== END OF LOAD BALANCING =============== 2202.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2202.79 PRESSURE: 732400 -154.521 -69.2627 -61.5405 -69.2635 -257.97 -20.4239 -61.5415 -20.4232 -345.238 GPRESSURE: 732400 -124.371 -96.4641 17.6199 -13.8795 -199.241 88.8827 -150.332 -73.8248 -329.492 PRESSAVG: 732400 28.6564 60.5558 16.7123 60.5559 24.0116 22.8367 16.7121 22.8367 -26.5828 GPRESSAVG: 732400 27.5592 62.4249 17.3083 61.2656 24.0956 24.9095 15.1785 22.4113 -26.0673 TIMING: 732400 CPU: 2199.57, 0.00301011/step Wall: 2199.57, 0.00301011/step, 3.56832 hours remaining, 207.242188 MB of memory in use. ENERGY: 732400 744.0696 2080.9749 1922.1191 111.9853 -205917.0357 17458.1854 0.0000 0.0000 34166.0190 -149433.6824 298.3803 -183599.7014 -149342.6045 298.9720 -252.5761 -217.7014 557620.1983 8.6950 8.5291 PRESSURE: 732600 24.4438 -220.673 13.5791 -220.673 -298.51 80.9926 13.5798 80.9932 -289.883 GPRESSURE: 732600 -12.4642 -242.247 31.5393 -185.898 -239.521 46.2902 4.68312 67.8212 -219.419 PRESSAVG: 732600 62.7155 -32.3215 -9.09901 -32.3214 19.2016 -6.21136 -9.09902 -6.21131 -71.5525 GPRESSAVG: 732600 62.4904 -32.5716 -9.86891 -34.0683 19.451 -7.60968 -9.24168 -7.2165 -71.9334 TIMING: 732600 CPU: 2200.16, 0.00295573/step Wall: 2200.16, 0.00295573/step, 3.50369 hours remaining, 207.242188 MB of memory in use. ENERGY: 732600 768.9620 2134.4789 1909.3742 107.4185 -206544.8051 17794.2729 0.0000 0.0000 34482.6825 -149347.6160 301.1458 -183830.2986 -149259.8749 299.6925 -187.9831 -157.1346 557849.5966 3.4548 3.3360 PRESSURE: 732800 53.8468 123.927 -74.2453 123.928 214.128 -83.241 -74.245 -83.2416 -282.688 GPRESSURE: 732800 111.255 201.543 -143.461 121.205 219.88 -1.4381 -94.1917 -66.2782 -254.991 PRESSAVG: 732800 22.848 -54.7643 -22.395 -54.7643 63.6214 29.6753 -22.395 29.6753 -62.4511 GPRESSAVG: 732800 23.2091 -54.8433 -20.7447 -55.63 63.1018 27.6105 -22.7924 29.4737 -62.6316 TIMING: 732800 CPU: 2200.76, 0.00298391/step Wall: 2200.76, 0.00298391/step, 3.53692 hours remaining, 207.242188 MB of memory in use. ENERGY: 732800 741.2571 2090.2968 1949.1126 109.4238 -206439.3117 17937.3911 0.0000 0.0000 34329.6140 -149282.2163 299.8091 -183611.8303 -149181.3070 299.2277 -4.9044 25.3812 557083.2195 8.0061 7.8931 PRESSURE: 733000 132.11 16.6246 -141.975 16.6243 -128.225 166.401 -141.976 166.402 -120.851 GPRESSURE: 733000 126.955 32.1889 4.39478 83.8155 -79.8254 185.556 -162.7 159.889 -61.8427 PRESSAVG: 733000 100.517 4.35082 -53.247 4.35085 -3.87519 -24.0143 -53.247 -24.0144 -113.507 GPRESSAVG: 733000 101.952 3.34508 -54.0774 7.26923 -3.679 -20.9276 -52.0655 -24.7367 -115.174 TIMING: 733000 CPU: 2201.35, 0.00296808/step Wall: 2201.35, 0.00296808/step, 3.518 hours remaining, 207.242188 MB of memory in use. ENERGY: 733000 723.4817 2112.7998 1914.0746 116.2470 -206226.4363 17759.1632 0.0000 0.0000 34303.8929 -149296.7771 299.5844 -183600.6700 -149199.7307 298.7734 -38.9888 -4.9045 557088.7294 -5.6216 -5.6337 PRESSURE: 733200 -40.2021 242.235 38.3476 242.235 -119.084 -15.9104 38.3477 -15.911 -251.925 GPRESSURE: 733200 -29.232 306.782 93.7929 195.942 -47.0292 19.7756 82.6408 44.6933 -236.092 PRESSAVG: 733200 0.838735 41.6016 0.450057 41.6015 46.659 16.6912 0.45006 16.6912 -61.6936 GPRESSAVG: 733200 -0.396309 42.2712 -0.910588 42.0825 47.0748 14.968 1.78938 18.1253 -60.781 TIMING: 733200 CPU: 2201.95, 0.00299009/step Wall: 2201.95, 0.00299009/step, 3.54392 hours remaining, 207.242188 MB of memory in use. ENERGY: 733200 720.8705 2073.3404 1932.8893 101.9048 -205950.5097 17433.1827 0.0000 0.0000 34547.7259 -149140.5961 301.7139 -183688.3221 -149050.9548 299.4548 -137.0702 -104.1176 555654.8149 -4.7320 -4.7008 PRESSURE: 733400 32.5991 -26.8028 -99.4388 -26.8035 121.499 27.2706 -99.4373 27.2716 170.561 GPRESSURE: 733400 62.844 -63.2811 -134.372 -37.802 157.464 88.8977 -108.841 -46.4276 203.774 PRESSAVG: 733400 22.0151 20.1308 35.6537 20.1308 27.719 0.299945 35.6536 0.30001 -32.4469 GPRESSAVG: 733400 21.5412 19.5425 38.2213 16.6908 27.0209 1.11719 31.6901 -0.685606 -31.8654 TIMING: 733400 CPU: 2202.54, 0.00294596/step Wall: 2202.54, 0.00294596/step, 3.49146 hours remaining, 207.242188 MB of memory in use. ENERGY: 733400 752.2148 2083.7342 1959.5189 111.7853 -206291.3684 17911.5688 0.0000 0.0000 34337.5178 -149135.0286 299.8781 -183472.5465 -149041.7787 300.2546 108.2198 141.3609 555825.8982 5.7624 5.5656 PRESSURE: 733600 -178.203 4.05592 103.659 4.05579 -270.468 21.2728 103.659 21.2725 -139.046 GPRESSURE: 733600 -155.095 21.1059 62.0618 -10.729 -193.288 40.5129 192.013 69.6599 -135.309 PRESSAVG: 733600 51.3857 -1.92621 7.56395 -1.9263 1.22867 59.7007 7.56395 59.7008 -20.3089 GPRESSAVG: 733600 50.9292 -2.76637 6.26976 1.40519 1.12471 59.4178 10.728 59.6698 -19.8711 TIMING: 733600 CPU: 2203.13, 0.00295528/step Wall: 2203.13, 0.00295528/step, 3.50233 hours remaining, 207.242188 MB of memory in use. ENERGY: 733600 702.5635 2095.4369 1933.7846 125.4970 -205619.4656 17386.4122 0.0000 0.0000 34209.3173 -149166.4542 298.7585 -183375.7715 -149069.3030 299.6768 -195.9056 -161.2307 557393.6913 10.7685 10.7276 PRESSURE: 733800 -67.6165 -13.8693 115.629 -13.8706 -136.085 51.3176 115.628 51.3178 -159.365 GPRESSURE: 733800 -97.504 25.8744 181.891 -126.029 -77.1413 119.008 126.156 35.4892 -90.9797 PRESSAVG: 733800 -23.4609 -7.02695 26.6053 -7.02699 -71.0679 -17.8076 26.6053 -17.8075 64.0677 GPRESSAVG: 733800 -24.172 -8.19762 27.2613 -7.08945 -70.2679 -18.1688 25.7385 -15.1447 63.9705 TIMING: 733800 CPU: 2203.72, 0.00296528/step Wall: 2203.72, 0.00296528/step, 3.51402 hours remaining, 207.242188 MB of memory in use. ENERGY: 733800 707.8958 2143.2493 1933.4706 113.0903 -205885.5551 17546.7984 0.0000 0.0000 34160.2858 -149280.7649 298.3303 -183441.0507 -149181.4923 298.8875 -121.0223 -88.5416 558708.8043 -10.1537 -10.1565 PRESSURE: 734000 -110.93 20.4608 62.0271 20.4601 224.411 62.2305 62.0275 62.2308 81.233 GPRESSURE: 734000 -89.6213 11.2683 56.3381 -58.4439 238 60.5209 35.3775 55.6532 147.338 PRESSAVG: 734000 -12.9967 17.0883 28.0855 17.0884 -95.3022 24.9812 28.0854 24.9812 89.6984 GPRESSAVG: 734000 -13.4987 19.0247 26.0088 15.8255 -94.7138 26.2824 28.1423 23.9283 89.1639 TIMING: 734000 CPU: 2204.32, 0.00297917/step Wall: 2204.32, 0.00297917/step, 3.53032 hours remaining, 207.242188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 734000 743.0118 2114.3440 1933.9303 111.9964 -206384.5643 17898.3617 0.0000 0.0000 34219.2710 -149363.6491 298.8454 -183582.9201 -149277.7999 298.9024 64.9046 98.5722 557830.4653 -6.2002 -6.3495 PRESSURE: 734200 -125.394 20.2906 0.691793 20.29 -208.619 42.6827 0.692817 42.6821 192.944 GPRESSURE: 734200 -77.1977 -28.2791 -63.9544 -9.62922 -171.369 124.89 -18.1809 163.619 207.116 PRESSAVG: 734200 1.38262 11.5936 17.5004 11.5936 -24.3234 -32.26 17.5003 -32.26 65.6096 GPRESSAVG: 734200 2.63448 11.5597 18.6014 10.828 -24.0978 -33.1297 18.0513 -35.3548 64.355 TIMING: 734200 CPU: 2204.92, 0.0030164/step Wall: 2204.92, 0.0030164/step, 3.57427 hours remaining, 207.500000 MB of memory in use. ENERGY: 734200 730.4016 2126.8670 1937.8160 102.1589 -206021.0184 17694.1361 0.0000 0.0000 34193.7758 -149235.8629 298.6227 -183429.6387 -149137.0292 298.7647 -47.0229 -13.8170 557085.8875 14.2230 14.2972 PRESSURE: 734400 -24.3789 -89.4576 136.607 -89.4584 29.2433 114.929 136.607 114.931 23.1555 GPRESSURE: 734400 1.2351 -125.657 92.7504 -125.541 122.325 114.634 224.101 113.962 -5.16862 PRESSAVG: 734400 52.1317 -52.2458 -25.142 -52.2458 -56.1168 -9.6126 -25.1421 -9.61256 9.18062 GPRESSAVG: 734400 51.7384 -51.5948 -26.333 -50.5818 -56.9553 -9.27316 -25.1833 -7.80636 10.6995 TIMING: 734400 CPU: 2205.52, 0.00299318/step Wall: 2205.52, 0.00299318/step, 3.54658 hours remaining, 207.500000 MB of memory in use. ENERGY: 734400 734.0464 2106.9479 1935.8785 115.0076 -206272.5625 17956.2535 0.0000 0.0000 34271.7364 -149152.6923 299.3036 -183424.4287 -149054.3016 299.1117 9.3400 39.4638 556873.6292 1.7318 1.8275 PRESSURE: 734600 52.5903 -30.7939 -11.3274 -30.7949 -26.0646 -68.4244 -11.3289 -68.4245 -211.672 GPRESSURE: 734600 97.949 -115.359 -73.5273 -13.211 -0.160083 -16.747 -9.12212 -44.0031 -189.605 PRESSAVG: 734600 18.5181 -1.31645 -21.0175 -1.31636 5.11278 -28.4286 -21.0175 -28.4286 7.8558 GPRESSAVG: 734600 19.9624 -1.69638 -19.4491 -3.50487 4.48595 -28.2385 -22.685 -28.2524 6.47146 TIMING: 734600 CPU: 2206.11, 0.00296162/step Wall: 2206.11, 0.00296162/step, 3.50902 hours remaining, 207.500000 MB of memory in use. ENERGY: 734600 751.9646 2115.5184 1933.9000 123.7457 -206212.1376 17880.2311 0.0000 0.0000 34240.2993 -149166.4785 299.0290 -183406.7778 -149069.2553 299.9167 -61.7155 -30.6055 558137.8407 10.4956 10.3066 PRESSURE: 734800 -283.498 132.976 -53.2108 132.977 -44.4558 0.518542 -53.2107 0.515178 -201.938 GPRESSURE: 734800 -240.204 -3.75398 5.38923 149.893 -20.7756 -15.8095 -34.3109 -9.95438 -166.342 PRESSAVG: 734800 55.2645 22.9168 -46.5528 22.9168 -18.2123 -60.2351 -46.5529 -60.2351 20.3271 GPRESSAVG: 734800 54.6813 21.1708 -46.4732 26.3253 -17.8223 -60.5613 -43.9928 -60.0211 20.8557 TIMING: 734800 CPU: 2206.7, 0.00296599/step Wall: 2206.7, 0.00296599/step, 3.51404 hours remaining, 207.500000 MB of memory in use. ENERGY: 734800 745.6174 2071.0872 1918.6838 120.3547 -205855.0582 17549.2610 0.0000 0.0000 34353.6070 -149096.4472 300.0186 -183450.0542 -148998.9340 299.6932 -176.6305 -142.4406 559386.5932 19.1264 19.2382 PRESSURE: 735000 -34.8812 21.43 -253.991 21.4307 20.615 -149.381 -253.992 -149.38 -100.086 GPRESSURE: 735000 -38.9298 51.645 -217.397 -11.1058 58.0341 -200.961 -204.606 -117.879 -32.2548 PRESSAVG: 735000 33.7974 9.48724 0.653534 9.4872 -36.8849 -25.7883 0.653534 -25.7883 -23.7035 GPRESSAVG: 735000 33.7637 12.3334 0.05068 7.00255 -38.5245 -25.6051 -0.0645109 -25.5256 -22.4094 TIMING: 735000 CPU: 2207.3, 0.002967/step Wall: 2207.3, 0.002967/step, 3.51507 hours remaining, 207.500000 MB of memory in use. ENERGY: 735000 736.3596 2107.1748 1935.5292 113.2449 -205772.3281 17612.9604 0.0000 0.0000 34153.6365 -149113.4226 298.2722 -183267.0592 -149019.8336 299.6420 -38.1174 -4.3835 558654.7137 -8.9303 -9.0567 PRESSURE: 735200 19.1121 94.3192 71.2208 94.3162 -236.645 -64.0745 71.2215 -64.0732 -275.835 GPRESSURE: 735200 81.1677 113.949 52.5231 56.6767 -203.95 -50.3928 63.2153 -53.1398 -279.331 PRESSAVG: 735200 21.9644 -2.4068 26.1123 -2.40674 -34.5432 -54.1515 26.1124 -54.1513 15.2249 GPRESSAVG: 735200 20.8438 -3.41357 24.7726 -2.82121 -32.0097 -54.206 24.6256 -53.9123 13.837 TIMING: 735200 CPU: 2207.9, 0.00301238/step Wall: 2207.9, 0.00301238/step, 3.56867 hours remaining, 207.500000 MB of memory in use. ENERGY: 735200 741.8716 2100.3300 1948.5109 113.4536 -205698.7647 17542.0728 0.0000 0.0000 34076.9932 -149175.5326 297.6029 -183252.5258 -149074.5294 299.8249 -164.4558 -134.0378 558648.9241 0.8820 0.8904 PRESSURE: 735400 20.082 -20.1541 10.8776 -20.1528 -157.33 -38.5676 10.8779 -38.5661 -259.088 GPRESSURE: 735400 59.2854 48.4124 37.2949 -96.8009 -125.134 70.4557 11.6186 -59.0546 -229.545 PRESSAVG: 735400 -34.6775 -11.7432 39.6179 -11.7432 20.6537 -50.444 39.6178 -50.444 36.1169 GPRESSAVG: 735400 -34.248 -11.1691 42.4491 -12.2029 20.1907 -48.3143 39.5993 -50.9237 35.9758 TIMING: 735400 CPU: 2208.5, 0.00297967/step Wall: 2208.5, 0.00297967/step, 3.52976 hours remaining, 207.500000 MB of memory in use. ENERGY: 735400 734.9429 2074.3724 1921.0349 118.8452 -205918.9454 17656.9856 0.0000 0.0000 34084.7729 -149327.9916 297.6708 -183412.7645 -149225.6697 299.5614 -132.1119 -98.4648 557733.0654 7.3644 7.3062 PRESSURE: 735600 305.223 208.512 -80.2448 208.511 223.763 29.7179 -80.2446 29.7187 -84.5324 GPRESSURE: 735600 311.405 205.61 -99.3073 222.002 239.598 16.8346 -24.1576 -41.1681 -29.608 PRESSAVG: 735600 -31.672 13.9736 -50.4165 13.9736 -4.40331 18.6109 -50.4165 18.6111 30.0339 GPRESSAVG: 735600 -32.1678 13.0767 -50.9158 16.735 -4.87359 15.5828 -50.0992 19.6221 31.0554 TIMING: 735600 CPU: 2209.11, 0.00304438/step Wall: 2209.11, 0.00304438/step, 3.60623 hours remaining, 207.500000 MB of memory in use. ENERGY: 735600 748.9689 2101.9300 1931.2607 110.3544 -206566.8028 17977.8195 0.0000 0.0000 34369.5154 -149326.9539 300.1575 -183696.4694 -149227.4342 298.9698 148.1509 173.7982 556321.3325 -2.0138 -1.9953 PRESSURE: 735800 44.0321 32.7349 -37.2158 32.735 -187.735 -73.5738 -37.2168 -73.575 128.663 GPRESSURE: 735800 64.8908 4.91659 -70.0903 -23.216 -181.051 -126.61 -42.2913 -17.5464 187.113 PRESSAVG: 735800 -18.0743 -5.09983 9.18317 -5.09979 9.7923 14.4374 9.18324 14.4374 5.71738 GPRESSAVG: 735800 -17.3303 -5.5237 8.27223 -7.13539 9.90329 14.7974 8.51325 14.1092 5.32713 TIMING: 735800 CPU: 2209.71, 0.00304077/step Wall: 2209.71, 0.00304077/step, 3.60179 hours remaining, 207.500000 MB of memory in use. ENERGY: 735800 752.0731 2099.4430 1933.6724 94.1993 -205961.1697 17604.4072 0.0000 0.0000 34180.5487 -149296.8260 298.5072 -183477.3747 -149202.3179 298.6453 -5.0132 23.6508 555809.3111 -0.8549 -0.7000 PRESSURE: 736000 -207.581 7.05144 88.0303 7.05209 -38.0868 -61.7283 88.0311 -61.727 -253.8 GPRESSURE: 736000 -137.466 18.5758 94.5745 37.3726 -43.4674 -61.9822 18.3228 -158.744 -226.556 PRESSAVG: 736000 8.48217 -37.5034 -24.6232 -37.5034 9.44596 -57.1137 -24.6232 -57.1137 27.9192 GPRESSAVG: 736000 8.91129 -37.8282 -26.7329 -35.4983 9.42426 -58.0179 -23.042 -56.7327 27.6184 TIMING: 736000 CPU: 2210.31, 0.00300347/step Wall: 2210.31, 0.00300347/step, 3.55744 hours remaining, 207.500000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 736000 771.9897 2108.9210 1930.6470 114.6711 -206003.7439 17604.3741 0.0000 0.0000 34241.1975 -149231.9435 299.0369 -183473.1410 -149129.3201 299.5248 -166.4893 -135.8298 556884.6806 15.2824 15.3180 PRESSURE: 736200 -133.028 100.639 -19.9249 100.638 -36.2575 -76.7711 -19.9255 -76.771 264.398 GPRESSURE: 736200 -94.2664 82.5217 -60.1482 99.1989 7.71302 -227.744 -18.6935 -130.302 270.783 PRESSAVG: 736200 -40.0141 54.8921 -3.90628 54.8921 46.5219 -63.4856 -3.9062 -63.4856 -5.948 GPRESSAVG: 736200 -39.7815 55.8969 -1.94303 52.4159 45.9181 -61.4835 -5.89 -66.2228 -6.00433 TIMING: 736200 CPU: 2210.91, 0.00298712/step Wall: 2210.91, 0.00298712/step, 3.53791 hours remaining, 207.500000 MB of memory in use. ENERGY: 736200 767.3088 2106.0718 1931.1360 127.3905 -206175.9885 17764.0038 0.0000 0.0000 34164.3681 -149315.7095 298.3659 -183480.0776 -149222.0820 299.6353 31.7044 61.4098 556652.2818 0.1866 0.0441 LDB: ============= START OF LOAD BALANCING ============== 2214.43 LDB: ============== END OF LOAD BALANCING =============== 2214.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2214.43 LDB: ============= START OF LOAD BALANCING ============== 2214.73 LDB: Largest compute 4773 load 0.026456 is 22.4% of average load 0.117998 LDB: Average compute 0.001732 is 1.5% of average load 0.117998 LDB: TIME 2214.73 LOAD: AVG 0.117998 MAX 0.210383 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.207 MB LDB: TIME 2214.73 LOAD: AVG 0.117998 MAX 0.210383 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.414 MB LDB: TIME 2214.73 LOAD: AVG 0.117998 MAX 0.210383 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.414 MB LDB: ============== END OF LOAD BALANCING =============== 2214.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2214.74 PRESSURE: 736400 84.9893 -47.3428 -45.4193 -47.3441 1.65282 -3.57527 -45.4179 -3.5774 6.76368 GPRESSURE: 736400 103.716 -89.53 -46.2225 -43.3963 27.5059 88.5886 -64.5296 -27.4867 47.9049 PRESSAVG: 736400 -23.9301 -6.6579 6.35467 -6.65786 38.2146 20.6496 6.35466 20.6495 7.89469 GPRESSAVG: 736400 -24.5595 -5.57587 6.31939 -6.37294 38.641 20.4727 7.29455 23.3831 7.7948 TIMING: 736400 CPU: 2211.52, 0.00303266/step Wall: 2211.52, 0.00303266/step, 3.59168 hours remaining, 207.828125 MB of memory in use. ENERGY: 736400 710.1582 2076.5979 1952.3241 123.9114 -206311.9368 17862.3650 0.0000 0.0000 34205.9025 -149380.6776 298.7287 -183586.5801 -149292.2385 299.2200 31.1353 59.7090 556880.6759 7.3931 7.2921 PRESSURE: 736600 -181.242 33.0423 143.473 33.042 -17.5684 -17.8491 143.474 -17.8496 112.566 GPRESSURE: 736600 -145.885 52.75 104.449 45.8706 2.72434 16.5224 178.69 2.85226 162.486 PRESSAVG: 736600 -11.0708 -7.25587 -11.5812 -7.25583 16.1439 20.9634 -11.5811 20.9632 -24.404 GPRESSAVG: 736600 -12.2343 -7.34094 -12.4676 -5.3242 16.1142 20.8648 -10.5476 21.6486 -23.1816 TIMING: 736600 CPU: 2212.11, 0.00295829/step Wall: 2212.11, 0.00295829/step, 3.50344 hours remaining, 207.828125 MB of memory in use. ENERGY: 736600 750.2672 2122.7929 1931.5617 127.7751 -206231.1326 17724.3144 0.0000 0.0000 34200.0268 -149374.3945 298.6773 -183574.4213 -149278.6011 298.7626 -28.7483 6.4418 556490.9045 -6.4436 -6.4339 PRESSURE: 736800 -29.0082 123.862 -61.5615 123.862 -401.155 125.642 -61.561 125.644 -235.624 GPRESSURE: 736800 31.926 60.9766 -96.6349 94.9361 -387.553 103.473 -20.6527 173.449 -219.677 PRESSAVG: 736800 8.80294 13.5435 -6.81254 13.5434 -14.0583 44.8917 -6.81255 44.8918 46.9251 GPRESSAVG: 736800 10.1345 12.1078 -5.81822 10.7186 -12.6625 47.2744 -6.69591 43.7485 44.2209 TIMING: 736800 CPU: 2212.7, 0.00296402/step Wall: 2212.7, 0.00296402/step, 3.51006 hours remaining, 207.828125 MB of memory in use. ENERGY: 736800 766.6017 2070.5478 1930.0931 117.4244 -206233.5269 17683.3744 0.0000 0.0000 34336.4236 -149329.0619 299.8685 -183665.4855 -149226.5156 299.4135 -221.9288 -191.7680 557513.5011 13.8899 13.8976 PRESSURE: 737000 200.754 -128.368 -86.1072 -128.368 -128.491 138.134 -86.1074 138.135 4.90522 GPRESSURE: 737000 269.263 -106.691 -128.855 -125.801 -123.882 135.064 -84.431 181.73 30.3639 PRESSAVG: 737000 30.6962 24.48 -8.43848 24.48 -41.1282 -36.7567 -8.43844 -36.7567 11.735 GPRESSAVG: 737000 30.4554 24.9074 -8.56985 25.9333 -42.2641 -38.7831 -9.46738 -36.0603 13.3164 TIMING: 737000 CPU: 2213.31, 0.00302834/step Wall: 2213.31, 0.00302835/step, 3.58607 hours remaining, 207.828125 MB of memory in use. ENERGY: 737000 772.0774 2133.4213 1943.3542 108.2727 -206321.6773 18009.8254 0.0000 0.0000 34018.9269 -149335.7996 297.0957 -183354.7264 -149239.7177 299.3118 25.7228 58.5816 557753.4289 0.4343 0.5026 PRESSURE: 737200 -232.75 -187.739 220.992 -187.74 -289.403 10.6823 220.993 10.6813 101.921 GPRESSURE: 737200 -223.335 -174.172 190.069 -189.032 -222.802 44.9789 195.539 6.76934 130.473 PRESSAVG: 737200 -35.3561 13.7443 9.15996 13.7442 -39.5727 -12.3586 9.1599 -12.3585 53.1018 GPRESSAVG: 737200 -35.8121 13.7999 9.40118 12.9807 -39.9209 -11.7799 8.77621 -13.9443 54.1659 TIMING: 737200 CPU: 2213.92, 0.00303591/step Wall: 2213.92, 0.00303591/step, 3.59486 hours remaining, 207.828125 MB of memory in use. ENERGY: 737200 722.1600 2061.6268 1947.2544 117.3860 -206144.0835 17732.3636 0.0000 0.0000 34119.3741 -149443.9185 297.9730 -183563.2927 -149343.9687 298.0258 -140.0776 -105.2210 558707.4785 -7.2757 -7.1890 PRESSURE: 737400 62.0113 52.7603 77.4213 52.7607 -39.8856 54.3936 77.4226 54.3929 152.545 GPRESSURE: 737400 136.101 42.95 56.6027 77.2989 -21.6957 114.765 44.6648 91.9013 161.178 PRESSAVG: 737400 -50.2344 51.4691 31.5698 51.469 -6.91366 41.3271 31.5698 41.3271 72.5647 GPRESSAVG: 737400 -50.1819 50.3106 31.4525 52.9468 -7.38315 38.9842 33.9412 44.7444 72.9536 TIMING: 737400 CPU: 2214.52, 0.00301334/step Wall: 2214.52, 0.00301334/step, 3.56796 hours remaining, 207.828125 MB of memory in use. ENERGY: 737400 760.3161 2126.6506 1927.3222 99.3004 -206131.1930 17909.3364 0.0000 0.0000 34263.0199 -149045.2473 299.2275 -183308.2672 -148946.3408 299.4051 58.2237 91.8610 557154.8678 5.1389 5.1295 PRESSURE: 737600 -141.25 -140.877 -122.592 -140.878 78.8161 -248.468 -122.592 -248.467 141.99 GPRESSURE: 737600 -137.055 -106.478 -115.341 -141.266 84.642 -306.846 -174.933 -144.246 240.172 PRESSAVG: 737600 8.46294 24.2144 -27.0807 24.2144 -36.4608 -13.2343 -27.0807 -13.2343 31.7728 GPRESSAVG: 737600 8.15367 26.7379 -24.812 22.2268 -36.0659 -12.4652 -29.2253 -13.4713 31.5159 TIMING: 737600 CPU: 2215.13, 0.00304079/step Wall: 2215.13, 0.00304079/step, 3.60029 hours remaining, 207.828125 MB of memory in use. ENERGY: 737600 709.5875 2077.7783 1925.1922 128.1580 -206357.4240 17932.4947 0.0000 0.0000 34466.1756 -149118.0378 301.0017 -183584.2133 -149025.5187 299.6421 26.5188 62.5865 556748.3965 1.2583 1.2012 PRESSURE: 737800 -306.881 -43.8239 185.857 -43.8226 63.9814 25.4279 185.856 25.4282 -62.2977 GPRESSURE: 737800 -271.181 -163.28 158.501 -63.9743 58.8498 -65.6075 172.555 60.3134 -6.2679 PRESSAVG: 737800 -24.6965 5.87925 35.4647 5.87924 33.1584 -12.0542 35.4647 -12.0542 1.24221 GPRESSAVG: 737800 -24.617 4.8752 33.3425 5.83213 32.35 -12.1575 38.224 -13.1018 1.28325 TIMING: 737800 CPU: 2215.73, 0.00303743/step Wall: 2215.73, 0.00303743/step, 3.59614 hours remaining, 207.828125 MB of memory in use. ENERGY: 737800 732.7677 2069.6737 1928.7138 124.7232 -205967.0384 17538.8443 0.0000 0.0000 34304.7113 -149267.6044 299.5916 -183572.3157 -149171.7585 299.2304 -101.7325 -72.8663 556360.9819 3.2347 3.0054 PRESSURE: 738000 -67.3991 -97.2106 -4.52521 -97.2112 -7.92051 -16.212 -4.52587 -16.2136 -62.9102 GPRESSURE: 738000 -67.844 -164.03 13.5756 -97.4101 63.9572 -48.0341 -51.099 -63.0817 -25.9316 PRESSAVG: 738000 -95.1914 -45.5708 24.5922 -45.5708 82.8177 -35.9609 24.5921 -35.9609 -10.5251 GPRESSAVG: 738000 -95.9396 -45.4124 25.2992 -44.9653 82.6348 -35.4487 25.3053 -35.4817 -10.0278 TIMING: 738000 CPU: 2216.34, 0.0030491/step Wall: 2216.34, 0.0030491/step, 3.60979 hours remaining, 207.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 738000 746.5534 2158.3361 1924.1425 111.5809 -206105.9404 17755.9694 0.0000 0.0000 34320.8510 -149088.5071 299.7325 -183409.3582 -148988.1738 299.8999 -46.0766 -9.9394 557538.1355 -7.6329 -7.7775 PRESSURE: 738200 -134.386 -78.023 -2.6631 -78.023 50.7965 -38.0648 -2.66276 -38.0656 219.613 GPRESSURE: 738200 -111.063 -141.612 -33.844 -59.1128 126.361 -72.2836 5.80011 -27.7565 207.254 PRESSAVG: 738200 -28.8393 9.11659 0.544075 9.11656 -26.2286 -14.3435 0.543943 -14.3435 57.985 GPRESSAVG: 738200 -29.1274 8.46938 -0.652731 9.35803 -25.6528 -14.8253 -0.578303 -14.3091 57.3195 TIMING: 738200 CPU: 2216.94, 0.00299161/step Wall: 2216.94, 0.00299161/step, 3.54157 hours remaining, 207.828125 MB of memory in use. ENERGY: 738200 773.4790 2080.2099 1887.4947 112.7877 -206594.6078 17972.5742 0.0000 0.0000 34471.7394 -149296.3228 301.0503 -183768.0622 -149196.0647 299.9414 45.3411 74.1839 556490.2239 0.9724 0.8465 PRESSURE: 738400 -99.7273 56.8412 71.963 56.84 -178.371 -84.4432 71.9631 -84.442 -94.11 GPRESSURE: 738400 -86.8661 68.6713 10.4048 115.523 -31.2515 -105.05 39.5487 -142.444 -164.395 PRESSAVG: 738400 29.6861 4.30684 21.8355 4.30686 24.0098 3.90179 21.8355 3.90173 5.27034 GPRESSAVG: 738400 28.6853 4.8051 24.3583 4.87081 24.3205 4.38333 22.6558 2.61854 6.02838 TIMING: 738400 CPU: 2217.54, 0.00299263/step Wall: 2217.54, 0.00299263/step, 3.54261 hours remaining, 207.828125 MB of memory in use. ENERGY: 738400 752.1201 2052.4702 1935.0245 108.5283 -206057.4739 17600.2513 0.0000 0.0000 34425.1616 -149183.9179 300.6435 -183609.0795 -149084.5669 299.2059 -124.0695 -94.1710 558564.1188 19.6554 19.6781 PRESSURE: 738600 21.6606 -47.0816 63.8032 -47.0821 207.538 -132.804 63.8034 -132.804 -246.208 GPRESSURE: 738600 30.8526 -9.27677 50.1156 8.56896 220.111 -5.47112 32.1631 -207.105 -159.967 PRESSAVG: 738600 -16.4979 6.61173 14.7572 6.61173 33.2242 32.1869 14.7572 32.1869 27.001 GPRESSAVG: 738600 -14.5436 7.43625 14.1927 6.01826 32.7771 31.4753 12.1092 32.1386 26.0328 TIMING: 738600 CPU: 2218.14, 0.0029959/step Wall: 2218.14, 0.0029959/step, 3.54632 hours remaining, 207.828125 MB of memory in use. ENERGY: 738600 721.6977 2119.7511 1942.8467 108.1381 -206366.2998 17872.7506 0.0000 0.0000 34370.5805 -149230.5352 300.1668 -183601.1157 -149134.4802 299.8532 -5.6701 30.3320 557236.0606 14.5758 14.7555 PRESSURE: 738800 135.009 57.3557 -57.2256 57.3564 47.0313 42.8905 -57.225 42.8918 -39.2366 GPRESSURE: 738800 173.184 120.253 -63.4807 11.3668 100.421 -15.4103 -27.3327 -13.3437 -31.1787 PRESSAVG: 738800 34.5595 14.2274 -7.42679 14.2275 -61.845 44.5447 -7.42677 44.5447 -9.50683 GPRESSAVG: 738800 34.5867 12.4946 -8.26341 16.1494 -61.1803 43.1589 -7.80104 44.6382 -10.5898 TIMING: 738800 CPU: 2218.74, 0.00298134/step Wall: 2218.74, 0.00298134/step, 3.52891 hours remaining, 207.828125 MB of memory in use. ENERGY: 738800 741.6783 2145.7782 1938.7772 121.5666 -206462.3711 18033.8644 0.0000 0.0000 34535.7607 -148944.9456 301.6094 -183480.7063 -148846.5092 300.2283 47.6011 80.8085 556877.6284 -12.2641 -12.3945 PRESSURE: 739000 -210.061 -25.6795 85.4039 -25.6793 -192.169 0.769347 85.406 0.770066 -275.091 GPRESSURE: 739000 -118.112 5.57347 149.616 0.637727 -206.831 54.4409 28.7102 -16.7621 -261 PRESSAVG: 739000 4.56096 -1.17244 23.943 -1.17244 -18.1064 37.471 23.943 37.4711 -5.79702 GPRESSAVG: 739000 4.03873 -0.982981 23.4413 -2.47176 -19.6704 39.4771 27.4079 38.975 -3.52377 TIMING: 739000 CPU: 2219.33, 0.0029847/step Wall: 2219.33, 0.0029847/step, 3.53272 hours remaining, 207.828125 MB of memory in use. ENERGY: 739000 798.6191 2148.2627 1915.9222 108.1040 -205702.8418 17562.7144 0.0000 0.0000 34303.3925 -148865.8270 299.5801 -183169.2195 -148772.0543 300.2758 -225.7736 -195.3144 556816.6495 -6.4475 -6.3852 PRESSURE: 739200 -124.195 -31.6421 5.01658 -31.6421 -179.725 1.15469 5.01648 1.15538 -166.783 GPRESSURE: 739200 -124.091 -70.2992 -33.0124 87.9426 -107.546 -64.2702 42.9834 53.2243 -156.732 PRESSAVG: 739200 -4.58803 -3.80154 0.189449 -3.80158 25.3655 45.8346 0.189401 45.8347 12.2174 GPRESSAVG: 739200 -4.57277 -2.88598 1.34318 -4.5319 26.363 43.656 -2.08062 46.8209 12.0871 TIMING: 739200 CPU: 2219.93, 0.00300471/step Wall: 2219.93, 0.00300471/step, 3.55624 hours remaining, 207.828125 MB of memory in use. ENERGY: 739200 756.1215 2120.0949 1908.9843 135.5900 -205822.0285 17675.9832 0.0000 0.0000 34296.5228 -148928.7317 299.5201 -183225.2545 -148823.3918 300.0999 -156.9009 -129.4565 557539.7882 10.9983 11.2924 PRESSURE: 739400 -467.055 75.5538 -55.2312 75.552 27.6513 16.4012 -55.2333 16.4023 -119.352 GPRESSURE: 739400 -415.677 48.6988 -18.438 92.0369 61.1186 -81.1266 -98.1529 45.4484 -90.4493 PRESSAVG: 739400 11.8539 -31.2286 32.9409 -31.2286 35.7244 29.7504 32.9408 29.7504 11.0484 GPRESSAVG: 739400 11.9592 -31.3799 31.9742 -30.6464 35.5755 30.8037 35.399 27.3331 10.6863 TIMING: 739400 CPU: 2220.53, 0.0029603/step Wall: 2220.53, 0.0029603/step, 3.50352 hours remaining, 207.828125 MB of memory in use. ENERGY: 739400 793.2457 2058.5310 1922.0992 105.3023 -205816.8789 17629.1529 0.0000 0.0000 34379.9597 -148928.5881 300.2487 -183308.5478 -148835.2978 299.9819 -186.2520 -148.3360 558415.1817 19.5422 19.4070 PRESSURE: 739600 -122.647 48.2436 237.911 48.2431 -192.029 57.4702 237.91 57.4698 -63.5075 GPRESSURE: 739600 -48.498 51.872 212.999 35.532 -192.209 76.1399 263.94 -30.023 -40.8593 PRESSAVG: 739600 11.788 7.66827 17.9784 7.66821 -19.2844 -11.929 17.9783 -11.9289 -0.0224378 GPRESSAVG: 739600 12.3913 6.74031 18.881 7.04502 -19.8458 -11.5398 17.099 -10.2364 -0.199762 TIMING: 739600 CPU: 2221.12, 0.0029734/step Wall: 2221.12, 0.0029734/step, 3.51885 hours remaining, 207.828125 MB of memory in use. ENERGY: 739600 738.2093 2168.5878 1926.7149 115.0303 -205711.3308 17462.0548 0.0000 0.0000 34231.4719 -149069.2619 298.9520 -183300.7338 -148978.9686 300.2468 -126.0613 -93.8553 557909.2611 -2.5063 -2.5514 PRESSURE: 739800 175.477 105.444 -100.945 105.444 54.3625 -4.46605 -100.945 -4.46583 60.4669 GPRESSURE: 739800 137.956 72.976 -115.483 136.216 125.419 20.6805 -142.08 23.5545 115.132 PRESSAVG: 739800 -0.872795 -7.63843 35.1877 -7.63829 -11.1844 29.4078 35.1878 29.4077 8.86913 GPRESSAVG: 739800 -0.935119 -7.90744 35.4473 -7.35505 -10.5694 31.1081 32.7579 28.5509 8.20803 TIMING: 739800 CPU: 2221.72, 0.00299918/step Wall: 2221.72, 0.00299918/step, 3.5492 hours remaining, 207.828125 MB of memory in use. ENERGY: 739800 771.2697 2095.8045 1927.6410 117.5915 -206477.2167 18037.4319 0.0000 0.0000 34249.3688 -149278.1092 299.1083 -183527.4780 -149176.7782 300.2656 96.7689 126.1689 556078.3263 -1.0627 -1.0988 PRESSURE: 740000 -82.957 -41.1138 175.922 -41.1143 172.304 44.6515 175.923 44.6509 -23.0139 GPRESSURE: 740000 -78.8241 -17.3604 83.6384 -15.1725 187.031 1.09916 137.615 65.2909 64.118 PRESSAVG: 740000 -2.271 -13.7159 21.3033 -13.7159 38.0552 19.7421 21.3034 19.742 -30.9126 GPRESSAVG: 740000 -2.00659 -11.8229 18.9484 -13.1519 37.1361 19.3956 23.9603 19.589 -30.1768 TIMING: 740000 CPU: 2222.31, 0.00297149/step Wall: 2222.31, 0.00297149/step, 3.51626 hours remaining, 207.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 740000 737.4036 2088.3687 1941.1696 123.8541 -206634.1892 17844.9768 0.0000 0.0000 34507.1009 -149391.3154 301.3591 -183898.4163 -149293.8928 299.2642 22.1109 57.4416 555298.0549 1.6239 1.6509 PRESSURE: 740200 168.085 -10.5669 -9.55121 -10.5679 87.8227 106.767 -9.55071 106.768 20.6895 GPRESSURE: 740200 155.654 -33.6654 -48.5622 14.642 165.349 55.437 -76.0685 190.276 48.9039 PRESSAVG: 740200 15.2032 -8.79322 -4.23815 -8.79318 -18.5865 79.424 -4.23813 79.424 43.9336 GPRESSAVG: 740200 14.7139 -8.16743 -1.7562 -11.8712 -17.8281 79.8084 -3.88683 79.2976 43.9088 TIMING: 740200 CPU: 2222.91, 0.00296289/step Wall: 2222.91, 0.00296289/step, 3.50592 hours remaining, 207.828125 MB of memory in use. ENERGY: 740200 726.8563 2057.8102 1955.1634 124.6732 -206390.4868 18010.3481 0.0000 0.0000 34192.1337 -149323.5019 298.6084 -183515.6356 -149228.9368 299.1558 92.1991 123.3021 557604.2733 13.5167 13.5982 LDB: ============= START OF LOAD BALANCING ============== 2226.42 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2226.42 LDB: =============== DONE WITH MIGRATION ================ 2226.42 LDB: ============= START OF LOAD BALANCING ============== 2226.72 LDB: Largest compute 4794 load 0.025883 is 21.9% of average load 0.117948 LDB: Average compute 0.001731 is 1.5% of average load 0.117948 LDB: TIME 2226.72 LOAD: AVG 0.117948 MAX 0.20907 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.277 MB LDB: TIME 2226.72 LOAD: AVG 0.117948 MAX 0.20907 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.277 MB LDB: TIME 2226.72 LOAD: AVG 0.117948 MAX 0.20907 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.277 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2226.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2226.73 PRESSURE: 740400 193.412 -81.9246 99.7245 -81.9245 -38.8412 -113.495 99.7261 -113.493 -46.728 GPRESSURE: 740400 273.521 -50.3369 120.646 -80.7826 -1.18886 24.0105 98.1857 -157.575 -61.6825 PRESSAVG: 740400 55.1245 -2.12609 36.4006 -2.12617 -52.5186 47.392 36.4006 47.392 -20.6496 GPRESSAVG: 740400 54.9119 -4.09272 35.545 2.42745 -50.8644 45.0056 34.5227 48.3692 -21.8365 TIMING: 740400 CPU: 2223.51, 0.00303037/step Wall: 2223.51, 0.00303037/step, 3.5856 hours remaining, 208.734375 MB of memory in use. ENERGY: 740400 715.0646 2096.5321 1946.7726 96.8414 -206126.6811 17742.6238 0.0000 0.0000 34279.5908 -149249.2557 299.3722 -183528.8466 -149153.9564 299.4905 35.9476 70.2164 555870.2537 -6.0146 -5.9297 PRESSURE: 740600 -79.9793 34.0082 -100.798 34.0097 4.36789 82.5401 -100.798 82.5401 -59.0933 GPRESSURE: 740600 -81.9065 0.078775 -41.3632 22.2706 38.4921 100.467 -75.3702 54.9164 10.514 PRESSAVG: 740600 34.87 -19.7326 48.9517 -19.7327 -16.5876 50.8037 48.9518 50.8036 1.23912 GPRESSAVG: 740600 35.7291 -20.5261 51.8225 -21.6857 -18.1986 54.1111 48.5948 48.4602 2.4624 TIMING: 740600 CPU: 2224.11, 0.00300248/step Wall: 2224.11, 0.00300248/step, 3.55243 hours remaining, 208.734375 MB of memory in use. ENERGY: 740600 748.0552 2103.7437 1909.8681 117.1767 -206078.4201 17780.0663 0.0000 0.0000 34340.5000 -149079.0102 299.9041 -183419.5102 -148983.5819 299.4945 -44.9016 -10.9668 557679.7908 6.5072 6.6643 PRESSURE: 740800 258.944 -74.7942 -67.6443 -74.7935 280.901 -12.3483 -67.6451 -12.3471 200.713 GPRESSURE: 740800 279.497 -68.2227 -56.1048 -150.114 315.908 10.0053 -41.0554 -50.3065 254.641 PRESSAVG: 740800 -24.7419 15.67 28.7357 15.67 40.1504 70.0196 28.7356 70.0197 -72.2907 GPRESSAVG: 740800 -24.8925 17.0303 25.4684 15.2323 40.8665 68.4861 28.5842 70.0466 -72.8668 TIMING: 740800 CPU: 2224.72, 0.00301865/step Wall: 2224.72, 0.00301865/step, 3.5714 hours remaining, 208.734375 MB of memory in use. ENERGY: 740800 714.8307 2056.4934 1912.3995 115.1722 -205900.4061 17908.5217 0.0000 0.0000 34161.0711 -149031.9174 298.3371 -183192.9885 -148936.7391 299.4044 246.8530 283.3486 557155.0869 -18.9607 -18.9643 PRESSURE: 741000 270.566 -27.813 26.8584 -27.8137 96.8514 156.693 26.86 156.694 90.1063 GPRESSURE: 741000 339.802 -49.9305 97.3743 -54.2922 165.203 110.604 -6.71466 142.168 51.3106 PRESSAVG: 741000 -13.7709 -23.8976 -1.11268 -23.8977 58.3026 -51.4313 -1.11272 -51.4314 -11.4375 GPRESSAVG: 741000 -13.3593 -26.0315 1.92049 -23.1372 57.456 -51.6971 -1.03808 -50.0621 -11.7182 TIMING: 741000 CPU: 2225.32, 0.0030202/step Wall: 2225.32, 0.0030202/step, 3.57307 hours remaining, 208.734375 MB of memory in use. ENERGY: 741000 727.7982 2032.2545 1958.7526 123.7115 -206165.1701 17884.9883 0.0000 0.0000 34467.6315 -148970.0335 301.0144 -183437.6650 -148871.3281 299.0783 152.5080 185.4384 557048.5970 11.0314 10.7928 PRESSURE: 741200 -151.739 -147.366 -67.0989 -147.365 -117.817 -1.05198 -67.0986 -1.05165 -187.357 GPRESSURE: 741200 -207.597 -109.356 -65.1374 -171.023 -11.4659 45.5492 -43.2052 -43.7354 -131.155 PRESSAVG: 741200 7.39839 -86.8878 -7.32778 -86.8879 -6.88038 6.96965 -7.32776 6.96979 -40.384 GPRESSAVG: 741200 6.95634 -85.2569 -9.01391 -86.7846 -6.80975 7.05022 -5.12387 6.94716 -40.5116 TIMING: 741200 CPU: 2225.93, 0.0030355/step Wall: 2225.93, 0.0030355/step, 3.591 hours remaining, 208.734375 MB of memory in use. ENERGY: 741200 738.5321 2043.7611 1951.7357 110.4820 -205531.0939 17466.0625 0.0000 0.0000 34385.1876 -148835.3329 300.2944 -183220.5206 -148734.4438 300.2524 -152.3045 -116.7394 559148.8754 -13.2887 -13.4550 PRESSURE: 741400 -164.07 69.0313 76.358 69.0313 -442.014 -41.4368 76.3592 -41.4375 -82.722 GPRESSURE: 741400 -139.035 126.026 51.9553 39.9533 -364.042 -125.588 119.097 -75.5488 -85.5746 PRESSAVG: 741400 -3.24521 -10.6442 24.4325 -10.6443 60.5677 13.6452 24.4324 13.6452 -64.3992 GPRESSAVG: 741400 -3.94274 -11.934 26.0272 -10.6923 61.3261 12.1896 20.8278 12.8283 -64.4639 TIMING: 741400 CPU: 2226.53, 0.00300985/step Wall: 2226.53, 0.00300985/step, 3.56048 hours remaining, 208.929688 MB of memory in use. ENERGY: 741400 773.1022 2083.7292 1949.1702 115.8455 -205677.8254 17477.1718 0.0000 0.0000 34396.2716 -148882.5349 300.3912 -183278.8065 -148789.3845 300.7625 -229.6018 -196.2173 557455.9483 -2.3589 -2.3602 PRESSURE: 741600 125.844 66.1205 155.688 66.1207 -0.440419 -68.3222 155.688 -68.3221 -74.5913 GPRESSURE: 741600 166.232 -4.9338 81.3961 35.326 19.7628 -67.9961 180.756 8.92891 -39.6303 PRESSAVG: 741600 -11.7288 -50.2323 7.35891 -50.2322 55.9358 -27.7238 7.35899 -27.7238 -21.7377 GPRESSAVG: 741600 -11.2311 -49.0613 4.3477 -51.4419 54.9828 -27.0681 11.4803 -27.1895 -21.0164 TIMING: 741600 CPU: 2227.13, 0.00298117/step Wall: 2227.13, 0.00298117/step, 3.52639 hours remaining, 208.929688 MB of memory in use. ENERGY: 741600 724.0020 2079.2814 1912.1481 109.2608 -205847.5817 17833.1950 0.0000 0.0000 34317.2239 -148872.4705 299.7009 -183189.6944 -148778.4470 300.2769 16.9374 48.7882 558237.8058 7.4898 7.5784 PRESSURE: 741800 -1.57709 15.4275 -146.716 15.427 149.162 -156.831 -146.716 -156.831 -160.798 GPRESSURE: 741800 -17.8961 -25.671 -114.036 70.3974 184.08 -158.164 -47.4688 -121.895 -85.8956 PRESSAVG: 741800 46.9213 -49.5241 -29.3698 -49.5241 47.1281 25.2975 -29.3698 25.2974 -78.1056 GPRESSAVG: 741800 46.8421 -49.0508 -28.4123 -48.6496 47.1165 25.8122 -30.933 24.0381 -78.4303 TIMING: 741800 CPU: 2227.72, 0.00296304/step Wall: 2227.72, 0.00296304/step, 3.50479 hours remaining, 208.929688 MB of memory in use. ENERGY: 741800 736.0770 2076.8963 1933.9896 114.2419 -206002.5644 17894.9004 0.0000 0.0000 34415.9671 -148830.4921 300.5632 -183246.4592 -148731.5644 300.7226 -4.4045 26.7628 558757.5811 5.3146 5.1761 PRESSURE: 742000 -89.4937 183.144 -149.455 183.144 -255.535 16.1275 -149.455 16.1286 47.6309 GPRESSURE: 742000 -52.8033 161.613 -112.957 159.415 -206.099 3.07421 -198.392 18.4064 75.2395 PRESSAVG: 742000 -24.0274 -17.4221 -16.1602 -17.4221 -22.6408 -41.2845 -16.1602 -41.2844 34.1652 GPRESSAVG: 742000 -24.6 -19.53 -16.7426 -16.6339 -21.0831 -41.0948 -15.5965 -38.6352 34.21 TIMING: 742000 CPU: 2228.32, 0.00298051/step Wall: 2228.32, 0.00298051/step, 3.52529 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: 742000 749.0588 2064.9196 1924.4619 112.6319 -205558.4127 17579.7849 0.0000 0.0000 34375.4952 -148752.0604 300.2097 -183127.5556 -148662.2734 300.1548 -99.1327 -61.2208 557538.0248 -4.1676 -3.8244 PRESSURE: 742200 104.063 183.097 61.4991 183.098 4.0585 -244.641 61.4996 -244.64 -26.3381 GPRESSURE: 742200 132.432 147.72 82.1971 214.633 -7.10744 -325.265 51.6484 -202.489 30.4488 PRESSAVG: 742200 3.29251 20.4464 15.9041 20.4464 -59.8367 -56.3146 15.9041 -56.3147 7.33767 GPRESSAVG: 742200 5.48582 23.8582 16.3272 18.399 -61.5245 -55.7424 15.5119 -58.4205 6.31563 TIMING: 742200 CPU: 2228.92, 0.00300015/step Wall: 2228.92, 0.00300015/step, 3.54835 hours remaining, 208.929688 MB of memory in use. ENERGY: 742200 724.7594 2142.5281 1890.3524 128.3092 -205964.3090 17773.5929 0.0000 0.0000 34386.0493 -148918.7176 300.3019 -183304.7669 -148823.2130 300.6214 27.2613 51.9245 556809.3498 -16.4022 -16.5744 PRESSURE: 742400 229.428 -82.2095 -24.6142 -82.2084 128.366 -10.5605 -24.615 -10.5608 141.584 GPRESSURE: 742400 202.56 -80.6515 49.0251 -26.0379 182.729 30.778 14.6665 -90.3787 211.718 PRESSAVG: 742400 -41.8579 -5.6845 -32.8706 -5.68451 37.283 -46.385 -32.8706 -46.3849 -1.54523 GPRESSAVG: 742400 -44.0307 -5.53766 -31.5701 -5.59638 38.6699 -48.0297 -32.8273 -45.908 -1.12856 TIMING: 742400 CPU: 2229.52, 0.00301367/step Wall: 2229.52, 0.00301367/step, 3.56417 hours remaining, 208.929688 MB of memory in use. ENERGY: 742400 757.2983 2101.4084 1923.4534 109.3585 -206224.8508 17927.7448 0.0000 0.0000 34441.3244 -148964.2630 300.7847 -183405.5874 -148865.8475 300.6598 166.4592 199.0024 555606.3679 -2.0400 -2.1631 PRESSURE: 742600 -92.5223 153.669 -61.2877 153.669 -382.96 -35.6845 -61.286 -35.6836 -406.62 GPRESSURE: 742600 -56.4133 168.117 -71.4788 62.5168 -392.685 -139.804 -67.179 2.60585 -318.817 PRESSAVG: 742600 111.613 12.9447 -73.4923 12.9449 -43.863 -7.18358 -73.4923 -7.18355 -76.3262 GPRESSAVG: 742600 112.188 11.7092 -74.6696 14.2415 -45.4434 -8.53991 -74.0908 -5.89442 -75.2239 TIMING: 742600 CPU: 2230.11, 0.00297705/step Wall: 2230.11, 0.00297705/step, 3.52069 hours remaining, 208.929688 MB of memory in use. ENERGY: 742600 785.9120 2096.1902 1920.4192 116.0735 -205387.2766 17280.6873 0.0000 0.0000 34340.1947 -148847.7997 299.9015 -183187.9944 -148752.9988 301.0790 -294.0338 -255.9718 556641.7719 -2.8588 -2.8263 PRESSURE: 742800 -49.4162 -50.6305 17.6309 -50.6312 -4.42591 -28.6366 17.6315 -28.6341 -152.547 GPRESSURE: 742800 40.5141 -10.8187 -1.49906 -59.1932 -10.8259 -1.05932 90.3023 -65.0598 -116.795 PRESSAVG: 742800 39.2884 10.5229 0.371419 10.5228 8.61378 53.7436 0.371427 53.7437 -24.1778 GPRESSAVG: 742800 40.1737 10.748 1.23108 8.66143 9.41042 54.3012 0.922907 53.6996 -26.1387 TIMING: 742800 CPU: 2230.71, 0.00297467/step Wall: 2230.71, 0.00297467/step, 3.51772 hours remaining, 208.929688 MB of memory in use. ENERGY: 742800 764.1528 2099.2237 1937.2830 118.9066 -205850.1416 17605.6897 0.0000 0.0000 34361.4225 -148963.4634 300.0868 -183324.8858 -148869.2065 300.5030 -68.7965 -29.0356 555333.8815 7.9081 7.8151 PRESSURE: 743000 -204.268 -14.2316 -37.2922 -14.2316 72.183 -45.3796 -37.2913 -45.3773 -110.787 GPRESSURE: 743000 -177.393 80.5425 -78.025 -88.2688 102.434 -59.6627 21.9103 -9.08597 -70.8432 PRESSAVG: 743000 -6.72413 -8.29914 -3.69874 -8.29927 11.1895 45.7142 -3.69865 45.7142 29.4335 GPRESSAVG: 743000 -7.62674 -9.65153 -6.2599 -6.09367 12.0604 48.0534 -1.35653 44.278 29.2677 TIMING: 743000 CPU: 2231.3, 0.00297808/step Wall: 2231.3, 0.00297808/step, 3.52158 hours remaining, 208.929688 MB of memory in use. ENERGY: 743000 777.5080 2122.5887 1914.9886 111.4033 -206054.6363 17741.3677 0.0000 0.0000 34486.7912 -148899.9887 301.1817 -183386.7799 -148804.8956 299.8525 -80.9574 -48.6005 556160.1310 11.2997 11.2338 PRESSURE: 743200 -251.772 -43.7897 -9.15236 -43.7892 -30.6261 -52.5148 -9.15187 -52.5153 -28.7251 GPRESSURE: 743200 -181.584 -19.494 2.8764 -18.6742 -28.3681 -37.4531 -22.5681 -79.0974 -8.53735 PRESSAVG: 743200 24.4908 32.5322 18.9219 32.5321 43.5791 -49.247 18.9219 -49.2468 -41.5334 GPRESSAVG: 743200 25.4672 31.8473 24.5193 32.6933 42.1847 -50.7161 13.9874 -49.3979 -41.2441 TIMING: 743200 CPU: 2231.9, 0.00296752/step Wall: 2231.9, 0.00296752/step, 3.50893 hours remaining, 208.929688 MB of memory in use. ENERGY: 743200 723.5447 2085.3428 1950.0485 107.7339 -205929.3021 17757.7177 0.0000 0.0000 34426.4175 -148878.4971 300.6545 -183304.9146 -148783.4056 300.0486 -103.7078 -72.8299 558081.2720 8.8455 8.8026 PRESSURE: 743400 -176.762 -182.235 152.139 -182.234 100.583 -77.0081 152.138 -77.0088 209.785 GPRESSURE: 743400 -114.212 -146.521 123.871 -136.736 151.37 -85.7451 152.601 3.0367 204.404 PRESSAVG: 743400 -13.1726 28.5577 50.3143 28.5577 -6.98946 -22.0237 50.3144 -22.0237 54.0816 GPRESSAVG: 743400 -14.0615 27.9712 47.5279 29.9543 -5.87946 -21.7174 52.5032 -23.4843 53.1377 TIMING: 743400 CPU: 2232.49, 0.00297731/step Wall: 2232.49, 0.00297731/step, 3.52034 hours remaining, 208.929688 MB of memory in use. ENERGY: 743400 730.7527 2091.4773 1933.4294 112.5393 -205685.9310 17678.9970 0.0000 0.0000 34312.6808 -148826.0544 299.6612 -183138.7352 -148730.9354 299.9971 44.5354 80.5207 557162.1660 11.3065 11.0656 PRESSURE: 743600 246.556 -102.007 -152.133 -102.008 14.6256 162.342 -152.134 162.342 279.282 GPRESSURE: 743600 270.964 -204.739 -138.501 -78.0677 53.9209 206.587 -271.095 114.322 324.184 PRESSAVG: 743600 -67.3742 -36.9683 -44.6661 -36.9683 -35.2897 -17.4061 -44.6661 -17.4061 89.7839 GPRESSAVG: 743600 -67.089 -33.8064 -45.5847 -39.9825 -36.2196 -16.9805 -44.9274 -15.2399 90.2057 TIMING: 743600 CPU: 2233.09, 0.00299466/step Wall: 2233.09, 0.00299466/step, 3.54068 hours remaining, 208.929688 MB of memory in use. ENERGY: 743600 752.4242 2134.4222 1926.2880 122.8607 -206346.9935 18156.1842 0.0000 0.0000 34510.3846 -148744.4296 301.3878 -183254.8142 -148649.0119 300.7534 180.1545 216.3564 556454.2328 -4.2933 -4.3676 PRESSURE: 743800 -2.98077 81.5893 -167.561 81.5904 -28.6854 64.0042 -167.561 64.0038 -90.3802 GPRESSURE: 743800 74.7082 70.3558 -105.937 44.4192 -42.399 52.9932 -135.725 52.3807 -48.0814 PRESSAVG: 743800 -5.11826 13.2451 -17.1078 13.245 -16.6408 16.9006 -17.1078 16.9004 -0.0371624 GPRESSAVG: 743800 -6.61518 12.4065 -15.6701 13.8445 -15.6357 17.29 -17.271 16.2174 0.557787 TIMING: 743800 CPU: 2233.69, 0.00298411/step Wall: 2233.69, 0.00298411/step, 3.52805 hours remaining, 208.929688 MB of memory in use. ENERGY: 743800 749.8350 2086.4150 1917.1583 114.3498 -205928.1611 17755.1710 0.0000 0.0000 34496.4529 -148808.7791 301.2661 -183305.2320 -148713.9191 300.9837 -40.6821 -5.2574 557795.2506 -7.2654 -7.2310 PRESSURE: 744000 -355.976 120.018 79.727 120.018 -156.936 -91.4933 79.7269 -91.4933 -59.9992 GPRESSURE: 744000 -276.997 183.633 118.993 45.3757 -126.978 -93.9 81.5878 -111.686 -75.6978 PRESSAVG: 744000 49.4466 34.8621 -16.3011 34.8621 -39.3407 -53.9574 -16.3011 -53.9574 -52.0073 GPRESSAVG: 744000 50.2848 36.1833 -16.3206 35.2702 -40.2859 -52.7591 -16.251 -54.7253 -51.8173 TIMING: 744000 CPU: 2234.29, 0.00299013/step Wall: 2234.29, 0.00299013/step, 3.535 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: 744000 763.1681 2121.2391 1941.4387 107.5680 -205643.5898 17464.2733 0.0000 0.0000 34318.0979 -148927.8048 299.7085 -183245.9027 -148829.1848 299.9903 -190.9704 -159.8909 558638.9860 -13.9671 -13.9395 PRESSURE: 744200 -211.915 -113.976 -163.08 -113.977 88.036 -151.939 -163.081 -151.941 188.506 GPRESSURE: 744200 -124.999 -144.209 -95.7342 -111.403 84.323 -93.9881 -162.833 -200.082 204.749 PRESSAVG: 744200 -35.3216 1.47407 -18.8712 1.47401 -17.1342 23.509 -18.8711 23.5092 27.6015 GPRESSAVG: 744200 -35.9014 -1.94805 -21.0302 2.2193 -15.7952 20.9147 -18.5772 25.3871 27.26 TIMING: 744200 CPU: 2234.89, 0.00300684/step Wall: 2234.89, 0.00300684/step, 3.55459 hours remaining, 208.929688 MB of memory in use. ENERGY: 744200 729.4969 2095.2589 1901.7914 115.5823 -206222.8730 17774.4755 0.0000 0.0000 34517.1745 -149089.0934 301.4471 -183606.2679 -148984.3635 300.0747 21.5425 54.6910 556701.3763 -8.2848 -8.1455 LDB: ============= START OF LOAD BALANCING ============== 2238.41 LDB: ============== END OF LOAD BALANCING =============== 2238.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2238.41 LDB: ============= START OF LOAD BALANCING ============== 2238.71 LDB: Largest compute 4773 load 0.025202 is 21.4% of average load 0.118002 LDB: Average compute 0.001733 is 1.5% of average load 0.118002 LDB: TIME 2238.71 LOAD: AVG 0.118002 MAX 0.210741 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.766 MB LDB: TIME 2238.71 LOAD: AVG 0.118002 MAX 0.210741 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.766 MB LDB: TIME 2238.71 LOAD: AVG 0.118002 MAX 0.210741 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.766 MB LDB: ============== END OF LOAD BALANCING =============== 2238.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2238.72 PRESSURE: 744400 124.071 58.9433 -99.5453 58.9421 -5.62253 -38.1245 -99.5456 -38.1249 106.302 GPRESSURE: 744400 116.647 87.7484 -68.9188 85.5163 21.48 -41.9917 -125.809 -4.64419 162.477 PRESSAVG: 744400 -51.9218 0.559536 -1.47862 0.559575 -2.77653 -2.88831 -1.47858 -2.88838 107.747 GPRESSAVG: 744400 -52.7202 3.52079 -0.0515693 -1.98973 -3.24755 -0.928299 -2.6121 -4.89499 108.781 TIMING: 744400 CPU: 2235.5, 0.00307854/step Wall: 2235.5, 0.00307854/step, 3.63918 hours remaining, 208.281250 MB of memory in use. ENERGY: 744400 703.2263 2152.3933 1921.6829 115.6539 -206185.3718 17924.5234 0.0000 0.0000 34250.3662 -149117.5257 299.1170 -183367.8920 -149017.8906 299.4923 74.9170 100.2014 557048.1749 17.6828 17.6043 PRESSURE: 744600 24.6907 -54.0248 -51.1928 -54.0237 48.2963 91.7591 -51.1925 91.7588 135.301 GPRESSURE: 744600 25.3613 7.43546 -93.4849 -46.4468 100.929 12.5554 -21.7024 162.627 166.333 PRESSAVG: 744600 -41.7672 -7.62249 9.79538 -7.6225 -2.10901 -23.3074 9.79544 -23.3074 47.4488 GPRESSAVG: 744600 -40.7948 -9.29788 9.74374 -5.52115 -2.79496 -24.9083 8.95872 -21.8825 47.1643 TIMING: 744600 CPU: 2236.1, 0.00299053/step Wall: 2236.1, 0.00299053/step, 3.53497 hours remaining, 208.281250 MB of memory in use. ENERGY: 744600 735.5759 2066.8141 1939.9015 112.8470 -206165.0231 17743.9522 0.0000 0.0000 34436.2680 -149129.6644 300.7405 -183565.9324 -149039.6258 299.2996 69.4294 97.5410 557162.1193 1.1909 1.1915 PRESSURE: 744800 66.0375 -32.0112 -80.5004 -32.0113 -109.675 -5.9194 -80.5009 -5.91974 141.701 GPRESSURE: 744800 80.3578 -89.0984 -55.4547 -15.2742 -52.3973 -6.6588 0.0730716 -45.0105 165.485 PRESSAVG: 744800 -16.5995 18.5441 -30.0336 18.5441 31.976 -7.81853 -30.0336 -7.81852 -7.59077 GPRESSAVG: 744800 -16.2328 19.3806 -31.3572 17.9104 31.7565 -7.29801 -29.6619 -7.57968 -7.30099 TIMING: 744800 CPU: 2236.7, 0.00300772/step Wall: 2236.7, 0.00300772/step, 3.55512 hours remaining, 208.281250 MB of memory in use. ENERGY: 744800 731.1639 2126.9947 1960.5576 111.9825 -206394.0976 17947.1026 0.0000 0.0000 34487.6946 -149028.6018 301.1896 -183516.2964 -148921.2839 300.4393 32.6877 64.4820 558310.8124 2.5953 2.7409 PRESSURE: 745000 -7.44391 47.1748 -194.743 47.1747 -188.081 110.628 -194.742 110.628 -67.4804 GPRESSURE: 745000 7.23225 -13.976 -240.987 76.8969 -117.266 109.225 -143.07 150.87 -49.3664 PRESSAVG: 745000 17.2459 10.6075 -11.6967 10.6075 -12.3461 37.9397 -11.6967 37.9396 0.665695 GPRESSAVG: 745000 17.6674 11.0957 -9.30713 11.8671 -11.8993 37.2838 -12.4931 39.5313 0.100859 TIMING: 745000 CPU: 2237.3, 0.00297936/step Wall: 2237.3, 0.00297936/step, 3.52144 hours remaining, 208.281250 MB of memory in use. ENERGY: 745000 761.7691 2145.1216 1946.3880 111.7044 -206404.6571 17941.7031 0.0000 0.0000 34349.8585 -149148.1123 299.9859 -183497.9709 -149059.2874 299.8386 -87.6685 -53.1334 557993.6156 1.8552 1.9563 PRESSURE: 745200 17.7059 19.9753 102.167 19.9751 -235.667 69.6879 102.166 69.6903 1.23879 GPRESSURE: 745200 68.3594 44.8682 78.7973 -38.3005 -217.135 35.7777 49.8294 45.9026 26.12 PRESSAVG: 745200 26.391 27.7096 23.1556 27.7097 -85.4823 28.8907 23.1555 28.8907 56.2946 GPRESSAVG: 745200 26.3042 27.9654 20.8235 25.787 -85.7218 27.4466 24.8527 24.9182 57.0531 TIMING: 745200 CPU: 2237.9, 0.00299701/step Wall: 2237.9, 0.00299701/step, 3.54213 hours remaining, 208.281250 MB of memory in use. ENERGY: 745200 770.2947 2173.5343 1931.9880 110.6954 -205856.0280 17566.5857 0.0000 0.0000 34078.5425 -149224.3875 297.6164 -183302.9300 -149117.2079 299.5998 -72.2408 -40.8851 559190.5369 -0.9323 -0.7882 PRESSURE: 745400 56.6413 18.3292 77.5817 18.3293 -14.767 58.79 77.5812 58.7906 508.09 GPRESSURE: 745400 77.3248 14.3055 130.14 91.581 66.816 -9.90362 46.5651 69.2018 493.303 PRESSAVG: 745400 -18.7267 11.4419 -11.819 11.4419 -27.3453 14.1049 -11.819 14.1048 49.2679 GPRESSAVG: 745400 -19.06 10.5406 -12.9686 12.5209 -27.903 14.806 -11.6438 19.1219 50.2366 TIMING: 745400 CPU: 2238.5, 0.00298857/step Wall: 2238.5, 0.00298857/step, 3.532 hours remaining, 208.281250 MB of memory in use. ENERGY: 745400 753.2653 2125.0746 1949.9720 129.0940 -206798.0752 18269.5302 0.0000 0.0000 34301.6237 -149269.5155 299.5646 -183571.1392 -149177.5201 299.5919 183.3213 212.4813 557790.1886 1.0653 1.0912 PRESSURE: 745600 -71.8405 198.754 5.91041 198.753 191.702 62.1003 5.91087 62.0984 91.6113 GPRESSURE: 745600 -80.3683 63.4247 -0.191964 243.906 216.253 131.542 -50.2 99.742 174.067 PRESSAVG: 745600 -5.42856 -26.9782 -30.3694 -26.9782 35.51 -18.7126 -30.3694 -18.7125 4.61682 GPRESSAVG: 745600 -5.55345 -26.071 -28.3523 -27.9576 34.9759 -17.8318 -32.9348 -21.2601 4.96397 TIMING: 745600 CPU: 2239.09, 0.00297624/step Wall: 2239.09, 0.00297624/step, 3.51726 hours remaining, 208.281250 MB of memory in use. ENERGY: 745600 758.2208 2121.0502 1914.9761 110.7737 -206598.8924 18133.0574 0.0000 0.0000 34336.2747 -149224.5395 299.8672 -183560.8142 -149124.8277 299.1918 70.4910 103.3173 558158.8016 11.5661 11.4621 PRESSURE: 745800 -153.48 87.8491 -39.5872 87.8493 -162.007 -71.2329 -39.5877 -71.2316 192.674 GPRESSURE: 745800 -133.252 52.6961 -57.1009 114.497 -148.116 -83.7624 62.4846 -18.6836 260.22 PRESSAVG: 745800 13.8241 2.76233 -59.2403 2.76234 22.8382 -60.8019 -59.2402 -60.8019 -19.4654 GPRESSAVG: 745800 13.3663 2.02912 -60.2576 3.10542 23.8311 -60.8241 -57.9015 -61.9131 -19.8772 TIMING: 745800 CPU: 2239.69, 0.00299372/step Wall: 2239.69, 0.00299372/step, 3.53774 hours remaining, 208.281250 MB of memory in use. ENERGY: 745800 751.6809 2106.7990 1943.6583 117.7767 -206403.8789 17965.3587 0.0000 0.0000 34358.7386 -149159.8668 300.0634 -183518.6054 -149063.2484 299.4145 -40.9377 -7.0496 560437.1121 5.7323 5.7734 PRESSURE: 746000 221.546 71.9072 24.5815 71.9071 -13.2436 -5.42695 24.5815 -5.42717 -14.5715 GPRESSURE: 746000 260.843 -56.7379 83.2588 170.234 59.0056 -62.5984 69.7159 91.7041 -35.1854 PRESSAVG: 746000 -31.1144 -25.6062 28.9249 -25.6062 -69.1165 -7.53809 28.9248 -7.53813 66.3599 GPRESSAVG: 746000 -30.6646 -24.9928 28.3081 -25.615 -69.4689 -9.27813 29.9102 -7.56472 66.1692 TIMING: 746000 CPU: 2240.3, 0.0030281/step Wall: 2240.3, 0.0030281/step, 3.57821 hours remaining, 208.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 746000 770.2933 2091.8403 1927.3495 105.1551 -206510.3686 18120.4928 0.0000 0.0000 34294.8167 -149200.4209 299.5052 -183495.2376 -149105.0723 298.8107 64.5771 94.8876 558658.2125 -11.2903 -11.3214 PRESSURE: 746200 -146.626 11.4329 -178.293 11.433 -283.479 101.599 -178.294 101.599 -166.316 GPRESSURE: 746200 -110.595 29.8761 -254.377 2.80872 -279.486 89.9916 -110.431 67.6766 -104.949 PRESSAVG: 746200 -16.2389 -25.5516 -23.9082 -25.5515 40.9219 -67.9525 -23.9084 -67.9525 23.9542 GPRESSAVG: 746200 -15.7174 -26.2903 -23.4817 -27.8598 41.0943 -63.776 -23.4347 -68.2693 23.5059 TIMING: 746200 CPU: 2240.9, 0.0030158/step Wall: 2240.9, 0.0030158/step, 3.56351 hours remaining, 208.281250 MB of memory in use. ENERGY: 746200 749.5582 2097.7512 1941.0127 102.0882 -205956.0370 17574.6453 0.0000 0.0000 34283.0357 -149207.9457 299.4023 -183490.9814 -149104.9808 298.8137 -198.8071 -165.0099 559215.2762 16.2124 16.2943 PRESSURE: 746400 -108.534 -35.9265 -102.318 -35.927 -325.883 135.265 -102.317 135.265 -70.2329 GPRESSURE: 746400 -73.6342 -120.447 -108.312 0.926191 -268.87 182.742 -19.536 141.437 -77.5263 PRESSAVG: 746400 13.8053 20.1214 -51.8919 20.1214 39.8346 20.2734 -51.8919 20.2735 -27.6274 GPRESSAVG: 746400 13.1394 19.4884 -51.2943 23.7424 39.7466 18.4378 -52.5072 20.0672 -26.4639 TIMING: 746400 CPU: 2241.5, 0.00297939/step Wall: 2241.5, 0.00297939/step, 3.52031 hours remaining, 208.281250 MB of memory in use. ENERGY: 746400 747.8765 2072.8151 1923.1264 110.7249 -206084.7068 17593.8584 0.0000 0.0000 34336.1339 -149300.1717 299.8660 -183636.3055 -149203.7508 299.7256 -168.2166 -140.0100 557779.9660 8.6708 8.8073 PRESSURE: 746600 -192.001 12.4408 -174.269 12.4417 -48.1495 43.8207 -174.268 43.8226 -141.52 GPRESSURE: 746600 -167.759 -31.8559 -142.521 20.864 -9.0331 145.439 -164.144 44.771 -89.4916 PRESSAVG: 746600 -16.8947 -33.198 1.11201 -33.198 12.14 60.5131 1.11208 60.5128 43.6825 GPRESSAVG: 746600 -16.1813 -33.0806 2.85857 -36.1688 12.4628 61.4536 0.9861 61.0986 42.9225 TIMING: 746600 CPU: 2242.09, 0.00299393/step Wall: 2242.09, 0.00299393/step, 3.53733 hours remaining, 208.281250 MB of memory in use. ENERGY: 746600 759.1543 2035.6933 1944.5431 115.5174 -206117.2284 17752.2641 0.0000 0.0000 34386.3496 -149123.7067 300.3045 -183510.0563 -149028.9614 299.3755 -127.2236 -88.7614 558917.2233 12.9759 13.0680 PRESSURE: 746800 -164.615 10.1463 170.449 10.1463 -184.543 85.3455 170.45 85.3458 -127.545 GPRESSURE: 746800 -114.291 41.6394 102.684 -16.8826 -206.606 71.3162 171.08 0.984755 -55.0434 PRESSAVG: 746800 10.0959 -11.4775 0.264058 -11.4775 22.8966 14.0625 0.263994 14.0627 -18.3042 GPRESSAVG: 746800 9.63122 -11.2056 -0.222199 -9.7917 22.4824 11.9434 0.410288 14.2593 -16.8434 TIMING: 746800 CPU: 2242.7, 0.00303618/step Wall: 2242.7, 0.00303618/step, 3.58708 hours remaining, 208.281250 MB of memory in use. ENERGY: 746800 710.7478 2093.9045 1926.2714 114.0277 -205501.9268 17462.5168 0.0000 0.0000 34140.2062 -149054.2524 298.1549 -183194.4586 -148951.0903 299.4029 -158.9012 -125.3135 559891.8485 4.8961 5.0901 PRESSURE: 747000 -176.814 -123.322 39.5669 -123.322 135.578 56.8423 39.567 56.8421 307.659 GPRESSURE: 747000 -163.892 -74.0895 39.1156 -134.083 202.787 -8.31473 -12.8855 82.6303 312.013 PRESSAVG: 747000 -35.1655 15.2256 4.03339 15.2255 19.7667 58.5475 4.03344 58.5475 44.0539 GPRESSAVG: 747000 -36.2711 16.1767 4.51224 13.7061 19.7055 60.0671 3.54451 56.2033 44.319 TIMING: 747000 CPU: 2243.3, 0.00298752/step Wall: 2243.3, 0.00298752/step, 3.52942 hours remaining, 208.281250 MB of memory in use. ENERGY: 747000 746.2384 2048.0431 1933.1446 112.7822 -206120.5808 17978.1919 0.0000 0.0000 34175.2435 -149126.9370 298.4609 -183302.1805 -149037.2170 299.5657 88.8076 116.9691 558707.1833 9.5517 9.2511 PRESSURE: 747200 143.219 16.8026 76.4319 16.8033 -174.94 56.2908 76.4318 56.2901 -143.671 GPRESSURE: 747200 126.135 18.746 37.7284 18.3656 -96.0114 140.983 57.0872 -29.1292 -105.561 PRESSAVG: 747200 -11.0381 -25.2576 7.92015 -25.2576 -12.0576 -21.9344 7.92016 -21.9344 81.9068 GPRESSAVG: 747200 -9.09703 -26.6223 6.7496 -24.3947 -12.4987 -21.9876 7.80637 -20.2097 80.6033 TIMING: 747200 CPU: 2243.9, 0.00301726/step Wall: 2243.9, 0.00301726/step, 3.56439 hours remaining, 208.281250 MB of memory in use. ENERGY: 747200 735.8232 2086.6688 1927.6379 96.5139 -206158.2575 17771.4776 0.0000 0.0000 34350.9299 -149189.2062 299.9952 -183540.1361 -149093.6725 299.5118 -58.4642 -25.1456 559148.6763 19.6037 19.6692 PRESSURE: 747400 68.3369 118.018 124.369 118.016 -89.827 41.6452 124.37 41.645 197.975 GPRESSURE: 747400 158.636 169.794 77.4534 92.8412 -91.745 -41.6088 167.564 105.654 205.494 PRESSAVG: 747400 1.98997 67.7613 2.72821 67.7613 1.04367 -4.97142 2.72819 -4.97139 -8.50111 GPRESSAVG: 747400 0.83033 67.7689 2.97182 67.5434 1.88511 -6.61926 2.02405 -3.10565 -8.14785 TIMING: 747400 CPU: 2244.51, 0.00303454/step Wall: 2244.51, 0.00303454/step, 3.58463 hours remaining, 208.281250 MB of memory in use. ENERGY: 747400 739.1883 2065.5055 1920.4477 112.7713 -206511.0143 17886.2750 0.0000 0.0000 34457.8429 -149328.9837 300.9289 -183786.8267 -149230.0729 299.1569 58.8284 90.7950 557474.2622 -1.8225 -1.8108 PRESSURE: 747600 -22.387 -95.4919 -32.054 -95.4925 51.1056 77.0518 -32.0538 77.0508 186.438 GPRESSURE: 747600 59.3959 -178.664 -13.0885 -49.839 71.3817 88.4814 -77.9969 59.3231 185.102 PRESSAVG: 747600 29.651 -42.2309 7.91731 -42.2309 -29.2348 21.603 7.91734 21.6029 24.3103 GPRESSAVG: 747600 29.2261 -40.3386 8.05268 -40.512 -28.6882 24.0927 7.14277 18.5995 23.9549 TIMING: 747600 CPU: 2245.11, 0.0029874/step Wall: 2245.11, 0.0029874/step, 3.52879 hours remaining, 208.281250 MB of memory in use. ENERGY: 747600 735.9982 2024.7156 1933.8293 90.5743 -206372.6175 17880.3998 0.0000 0.0000 34443.3675 -149263.7329 300.8025 -183707.1003 -149153.2586 300.0629 71.7187 105.2933 557216.9724 8.2422 8.1643 PRESSURE: 747800 212.349 -75.5083 28.5909 -75.508 -6.66611 146.141 28.5909 146.14 12.9788 GPRESSURE: 747800 241.728 -18.7397 13.5322 -92.0576 20.7227 201.757 149.039 165.363 54.5302 PRESSAVG: 747800 -1.07394 -33.8277 0.410684 -33.8276 -50.0547 -4.61956 0.410664 -4.61959 20.3633 GPRESSAVG: 747800 -1.86592 -33.2807 -1.03956 -34.0687 -50.4278 -5.15625 2.50625 -2.0927 21.9037 TIMING: 747800 CPU: 2245.7, 0.0029892/step Wall: 2245.7, 0.0029892/step, 3.53074 hours remaining, 208.281250 MB of memory in use. ENERGY: 747800 722.5744 2110.9387 1938.1506 115.2194 -206262.0404 17938.6945 0.0000 0.0000 34147.5705 -149288.8922 298.2192 -183436.4628 -149192.3378 299.1822 72.8873 105.6604 555416.2533 -10.2551 -10.1300 PRESSURE: 748000 19.9032 -195.578 -29.4877 -195.578 -140.08 -74.4579 -29.4879 -74.4593 -274.379 GPRESSURE: 748000 37.5884 -193.324 -27.3234 -187.651 -154.28 -66.715 -95.5167 -35.469 -175.433 PRESSAVG: 748000 -50.1272 -49.4456 -29.1566 -49.4456 -25.2479 25.1863 -29.1565 25.1862 64.1426 GPRESSAVG: 748000 -49.7768 -49.9595 -28.1172 -51.0325 -26.3578 25.9306 -29.5875 23.258 65.0568 TIMING: 748000 CPU: 2246.3, 0.0029933/step Wall: 2246.3, 0.0029933/step, 3.53542 hours remaining, 208.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 748000 767.0485 2072.2209 1927.7001 114.3333 -206157.6172 17664.0550 0.0000 0.0000 34294.7727 -149317.4868 299.5048 -183612.2595 -149218.5266 299.3985 -131.5185 -97.3747 555578.6509 -3.7442 -3.6926 PRESSURE: 748200 -136.488 -15.3016 -110.517 -15.3019 -268.924 -189.535 -110.516 -189.534 -212.975 GPRESSURE: 748200 -79.3825 66.9522 -184.134 -26.9791 -249.365 -197.869 -160.766 -215.135 -211.388 PRESSAVG: 748200 -2.99024 -47.2142 -47.5029 -47.2142 27.5552 1.50185 -47.503 1.50187 -6.36767 GPRESSAVG: 748200 -1.68786 -47.7354 -48.1764 -45.6469 27.5365 0.736255 -48.3607 1.66265 -7.62847 TIMING: 748200 CPU: 2246.9, 0.00298935/step Wall: 2246.9, 0.00298935/step, 3.53059 hours remaining, 208.281250 MB of memory in use. ENERGY: 748200 752.4629 2113.2803 1926.4188 109.3700 -205372.3400 17332.8505 0.0000 0.0000 34005.9093 -149132.0483 296.9821 -183137.9576 -149034.3969 299.2514 -206.1292 -180.0452 558144.0382 6.0658 6.0734 LDB: ============= START OF LOAD BALANCING ============== 2250.42 LDB: ============== END OF LOAD BALANCING =============== 2250.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2250.42 LDB: ============= START OF LOAD BALANCING ============== 2250.72 LDB: Largest compute 4794 load 0.023803 is 20.2% of average load 0.117964 LDB: Average compute 0.001725 is 1.5% of average load 0.117964 LDB: TIME 2250.72 LOAD: AVG 0.117964 MAX 0.213564 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.535 MB LDB: TIME 2250.72 LOAD: AVG 0.117964 MAX 0.213564 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.738 MB LDB: TIME 2250.72 LOAD: AVG 0.117964 MAX 0.213564 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.738 MB LDB: ============== END OF LOAD BALANCING =============== 2250.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2250.73 PRESSURE: 748400 14.4281 -193.082 -78.424 -193.083 236.487 117.743 -78.4238 117.743 196.012 GPRESSURE: 748400 51.5421 -133.565 -70.582 -226.159 238.227 129.09 -120.232 189.84 249.546 PRESSAVG: 748400 -19.5933 -18.6381 -31.3904 -18.6382 -29.7241 70.6067 -31.3904 70.6066 40.0954 GPRESSAVG: 748400 -20.1539 -19.9982 -30.2127 -18.6134 -29.2251 67.1066 -30.596 73.6639 39.7305 TIMING: 748400 CPU: 2247.51, 0.00305816/step Wall: 2247.51, 0.00305815/step, 3.61168 hours remaining, 206.933594 MB of memory in use. ENERGY: 748400 735.5865 2099.7342 1923.6361 114.2053 -206086.7677 17937.7955 0.0000 0.0000 34157.9104 -149117.8996 298.3095 -183275.8100 -149023.5479 299.5255 148.9757 179.7717 556371.5124 -3.0740 -3.2162 PRESSURE: 748600 -100.534 10.0971 -51.1835 10.0973 -260.916 -20.7491 -51.1828 -20.7488 -227.128 GPRESSURE: 748600 -41.8117 25.6955 -147.375 -37.2427 -271.38 13.0651 60.028 27.8824 -173.113 PRESSAVG: 748600 -30.2378 6.33344 -33.8007 6.33346 -9.4935 30.6066 -33.8007 30.6067 10.772 GPRESSAVG: 748600 -30.3373 5.61449 -34.9894 7.57025 -9.36868 33.0562 -34.6707 28.4271 11.1934 TIMING: 748600 CPU: 2248.11, 0.00300002/step Wall: 2248.11, 0.00300002/step, 3.54285 hours remaining, 207.136719 MB of memory in use. ENERGY: 748600 743.8103 2067.4726 1956.3979 115.8267 -206209.9176 17635.0920 0.0000 0.0000 34384.3076 -149307.0104 300.2867 -183691.3180 -149213.8090 299.3783 -196.1925 -162.1017 557479.6582 -9.6531 -9.5042 PRESSURE: 748800 -82.3442 -86.0953 -156.573 -86.0961 -35.1215 -74.4612 -156.572 -74.4608 -116.304 GPRESSURE: 748800 -57.0295 -20.8955 -91.9208 -228.381 -18.1843 -36.6666 -74.1681 -136.025 -54.7856 PRESSAVG: 748800 0.11858 -30.3867 -15.6459 -30.3868 35.4619 -21.4071 -15.646 -21.4071 -32.0322 GPRESSAVG: 748800 -0.693101 -29.4975 -15.3321 -32.1727 35.3497 -20.8234 -13.8023 -20.5906 -31.539 TIMING: 748800 CPU: 2248.71, 0.00296936/step Wall: 2248.71, 0.00296936/step, 3.50648 hours remaining, 207.136719 MB of memory in use. ENERGY: 748800 753.2464 2079.8229 1953.7184 104.6787 -206147.1869 17785.6545 0.0000 0.0000 34397.6143 -149072.4518 300.4029 -183470.0661 -148981.7392 300.1266 -77.9231 -43.3332 558309.5296 1.1827 1.0392 PRESSURE: 749000 -193.627 -92.5075 6.40332 -92.5065 -136.264 43.2586 6.40413 43.2581 -322.981 GPRESSURE: 749000 -116.136 -120.147 24.5074 -48.5807 -122.829 67.2433 -82.6749 50.9782 -319.561 PRESSAVG: 749000 13.4668 -14.2642 -15.8127 -14.2642 -25.7584 -30.1167 -15.8127 -30.1166 16.969 GPRESSAVG: 749000 15.0601 -14.1244 -15.9271 -15.1239 -25.835 -30.8474 -14.9447 -30.8788 15.6843 TIMING: 749000 CPU: 2249.3, 0.00296135/step Wall: 2249.3, 0.00296135/step, 3.49686 hours remaining, 207.136719 MB of memory in use. ENERGY: 749000 760.5358 2057.3464 1912.8824 120.0512 -205732.2985 17506.8346 0.0000 0.0000 34120.8196 -149253.8284 297.9856 -183374.6480 -149160.3689 299.6083 -217.6243 -186.1753 558543.7626 1.5592 1.6365 PRESSURE: 749200 -91.6198 15.9991 60.6768 16.0001 -71.9125 63.8638 60.6768 63.8634 -169.293 GPRESSURE: 749200 -57.3912 -17.8512 -19.2718 54.0863 -24.4971 101.341 117.033 31.8316 -158.304 PRESSAVG: 749200 65.5204 -44.049 3.04128 -44.0489 -33.561 53.3128 3.04132 53.3128 -32.8839 GPRESSAVG: 749200 64.3065 -44.5551 4.83602 -42.7096 -33.8772 54.8498 -0.785942 52.1401 -31.3203 TIMING: 749200 CPU: 2249.89, 0.00297947/step Wall: 2249.89, 0.00297947/step, 3.51809 hours remaining, 207.136719 MB of memory in use. ENERGY: 749200 742.4273 2021.4097 1929.5436 105.1212 -205444.4182 17436.8115 0.0000 0.0000 33950.1621 -149258.9427 296.4952 -183209.1048 -149163.2551 298.8783 -110.9417 -80.0640 557875.4870 -0.3081 -0.2970 PRESSURE: 749400 71.4849 24.9896 21.0732 24.9901 -206.862 -27.8166 21.0734 -27.8168 4.38657 GPRESSURE: 749400 83.109 44.1279 89.1373 89.456 -143.248 -50.8083 -109.169 22.0427 30.538 PRESSAVG: 749400 7.38164 -4.71443 18.1996 -4.71442 -56.8764 -26.3612 18.1997 -26.3611 40.5791 GPRESSAVG: 749400 8.38195 -3.86639 16.5236 -5.14045 -57.1012 -28.8511 19.6278 -25.6853 39.7929 TIMING: 749400 CPU: 2250.49, 0.00297844/step Wall: 2250.49, 0.00297844/step, 3.5167 hours remaining, 207.136719 MB of memory in use. ENERGY: 749400 773.3791 2051.1648 1910.9661 116.3192 -206423.7125 18037.1214 0.0000 0.0000 34293.3701 -149241.3918 299.4925 -183534.7619 -149145.2446 298.7652 -43.6634 -9.8671 558148.3190 -2.9719 -2.9754 PRESSURE: 749600 -352.62 -36.1016 -39.0347 -36.1034 111.774 -31.1068 -39.0365 -31.1064 -14.7041 GPRESSURE: 749600 -308.242 45.1308 11.0124 -130.118 162.195 11.7411 -122.657 6.30638 -13.4548 PRESSAVG: 749600 19.7371 22.7424 11.273 22.7425 -38.7371 21.2993 11.273 21.2992 18.6086 GPRESSAVG: 749600 20.108 22.8224 11.4465 23.2136 -38.6036 21.1171 11.5878 22.6431 18.6032 TIMING: 749600 CPU: 2251.09, 0.00299065/step Wall: 2251.09, 0.00299065/step, 3.53096 hours remaining, 207.136719 MB of memory in use. ENERGY: 749600 779.2257 2030.7031 1953.7503 122.1731 -206252.9435 17720.2891 0.0000 0.0000 34276.8340 -149369.9681 299.3481 -183646.8021 -149282.9858 299.1080 -85.1835 -53.1672 557710.9441 -0.1304 0.0359 PRESSURE: 749800 -115.455 112.289 73.2187 112.29 -258.567 182.697 73.2191 182.697 -164.974 GPRESSURE: 749800 -33.9987 81.6433 -23.2476 70.65 -278.908 136.398 140.084 114.42 -131.718 PRESSAVG: 749800 -58.8616 -20.4568 0.450253 -20.4568 37.6011 14.2121 0.45018 14.2121 -21.2564 GPRESSAVG: 749800 -59.9181 -21.4755 -0.584281 -21.711 38.6671 14.8038 0.972579 11.9433 -21.5233 TIMING: 749800 CPU: 2251.69, 0.00298875/step Wall: 2251.69, 0.00298875/step, 3.52855 hours remaining, 207.136719 MB of memory in use. ENERGY: 749800 734.4319 2086.7999 1964.1225 117.8427 -206230.2657 17661.3116 0.0000 0.0000 34325.3947 -149340.3623 299.7722 -183665.7570 -149240.7271 298.6610 -179.6651 -148.2084 558890.8164 -14.1723 -14.2581 PRESSURE: 750000 75.057 -104.56 -157.572 -104.561 86.3368 140.089 -157.571 140.088 58.9533 GPRESSURE: 750000 77.9918 -107.139 -68.3092 -38.5793 133.712 180.546 -152.076 130.724 111.031 PRESSAVG: 750000 22.9622 53.0868 -40.7093 53.0867 -12.9698 51.9145 -40.7093 51.9145 -18.9414 GPRESSAVG: 750000 23.2168 53.8885 -39.6362 54.1486 -12.7094 52.9163 -39.3828 52.3146 -18.5643 TIMING: 750000 CPU: 2252.28, 0.00295552/step Wall: 2252.28, 0.00295552/step, 3.48916 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: 750000 717.2407 2097.5729 1937.4000 106.0640 -206358.0068 17785.7048 0.0000 0.0000 34374.0196 -149340.0049 300.1969 -183714.0245 -149242.8847 298.8394 73.4490 107.5781 557560.0487 -2.9830 -2.6856 PRESSURE: 750200 -271.624 -64.8864 46.4858 -64.8848 -110.045 102.806 46.4867 102.807 -128.721 GPRESSURE: 750200 -268.983 -104.577 40.3493 -151.956 -60.8274 75.603 65.2887 122.635 -88.8234 PRESSAVG: 750200 -38.2738 4.66822 3.8785 4.66821 19.4368 14.9721 3.87847 14.9721 18.2359 GPRESSAVG: 750200 -37.568 4.50389 5.95705 5.25763 19.2132 14.117 1.91191 16.0275 17.3111 TIMING: 750200 CPU: 2252.88, 0.00299584/step Wall: 2252.88, 0.00299584/step, 3.53659 hours remaining, 207.136719 MB of memory in use. ENERGY: 750200 734.8456 2105.1662 1921.9500 97.2145 -206274.7468 17732.6290 0.0000 0.0000 34064.8890 -149618.0524 297.4971 -183682.9415 -149518.6712 298.8118 -170.1300 -139.5445 557405.2851 -0.2004 -0.3479 PRESSURE: 750400 -74.0395 -35.1909 99.0246 -35.1908 139.6 -102.666 99.0249 -102.668 -159.844 GPRESSURE: 750400 -70.7009 -77.1688 143.113 -28.5896 206.95 -80.2723 44.7263 -134.658 -135.656 PRESSAVG: 750400 3.71405 -19.5036 16.4151 -19.5035 -21.8414 49.3765 16.4152 49.3766 22.2998 GPRESSAVG: 750400 3.43024 -19.0748 16.3321 -21.3681 -23.1334 47.4788 15.0962 49.5701 23.5477 TIMING: 750400 CPU: 2253.47, 0.00297231/step Wall: 2253.47, 0.00297231/step, 3.50865 hours remaining, 207.136719 MB of memory in use. ENERGY: 750400 718.3157 2110.8973 1926.3476 109.3253 -206410.9662 17815.5476 0.0000 0.0000 34349.1407 -149381.3921 299.9796 -183730.5328 -149290.5282 298.8539 -31.4281 0.1979 558011.8945 1.3908 1.2815 PRESSURE: 750600 -1.80226 -0.298826 6.87641 -0.298926 281.58 3.54989 6.87752 3.54896 -4.65712 GPRESSURE: 750600 20.1398 -36.3928 -58.8874 39.7536 333.169 8.48172 32.6753 -151.885 13.7839 PRESSAVG: 750600 -11.9284 -10.6713 38.9744 -10.6713 45.4521 -8.90953 38.9744 -8.90957 -15.8425 GPRESSAVG: 750600 -11.1595 -11.7745 36.3789 -9.77996 45.3271 -9.34483 39.0134 -7.98437 -16.4442 TIMING: 750600 CPU: 2254.07, 0.00297642/step Wall: 2254.07, 0.00297642/step, 3.51333 hours remaining, 207.136719 MB of memory in use. ENERGY: 750600 768.3764 2152.9485 1935.7251 112.8990 -206528.3742 18081.1012 0.0000 0.0000 34167.6690 -149309.6549 298.3948 -183477.3239 -149212.5919 299.2767 91.7070 122.3641 557596.2543 5.8937 5.9078 PRESSURE: 750800 29.9377 32.1209 -4.98193 32.1199 -18.3265 -4.229 -4.98101 -4.23009 166.181 GPRESSURE: 750800 70.8278 112.746 -58.3381 -86.9699 51.2554 -37.5033 74.727 86.9813 161.279 PRESSAVG: 750800 2.61641 31.6937 37.5348 31.6935 -56.2065 15.8402 37.5348 15.8402 5.77223 GPRESSAVG: 750800 2.56851 32.4859 37.584 30.4178 -55.8265 18.0116 37.8397 13.7044 5.92861 TIMING: 750800 CPU: 2254.67, 0.0029954/step Wall: 2254.67, 0.0029954/step, 3.53557 hours remaining, 207.136719 MB of memory in use. ENERGY: 750800 766.6687 2101.5618 1916.9209 114.9136 -206330.6944 17950.8391 0.0000 0.0000 34199.3899 -149280.4004 298.6718 -183479.7903 -149178.5407 299.3900 59.2640 94.4542 557743.4923 -15.9393 -15.7765 PRESSURE: 751000 68.0148 -29.0057 -68.7181 -29.0056 25.2439 69.2824 -68.7179 69.2827 -55.0511 GPRESSURE: 751000 123.855 -66.1089 -178.09 79.9344 -11.88 65.1409 -56.6573 72.2376 28.0637 PRESSAVG: 751000 25.4103 21.5035 10.8854 21.5034 19.858 16.466 10.8854 16.4659 -8.21264 GPRESSAVG: 751000 26.799 22.1237 12.0354 22.5227 19.3006 16.2241 10.8487 16.6224 -9.44219 TIMING: 751000 CPU: 2255.27, 0.00300078/step Wall: 2255.27, 0.00300078/step, 3.54176 hours remaining, 207.136719 MB of memory in use. ENERGY: 751000 761.5246 2134.8031 1949.1090 120.8131 -206395.3685 17977.4321 0.0000 0.0000 34111.6694 -149340.0172 297.9057 -183451.6865 -149242.6347 299.2664 12.7358 46.6795 557224.1516 12.3519 12.2191 PRESSURE: 751200 -58.566 -41.8566 -59.7859 -41.8555 119.603 66.1725 -59.7859 66.172 -13.2124 GPRESSURE: 751200 11.5126 -4.43158 -86.9287 -117.521 164.196 47.9441 -39.9173 63.8784 -55.7906 PRESSAVG: 751200 48.3749 1.40635 -0.881547 1.40638 -13.2812 55.0897 -0.881446 55.0897 -1.83894 GPRESSAVG: 751200 46.8722 0.742856 -1.00451 2.96058 -13.6505 55.6469 -0.305716 54.6251 -0.67433 TIMING: 751200 CPU: 2255.87, 0.00299684/step Wall: 2255.87, 0.00299684/step, 3.53694 hours remaining, 207.136719 MB of memory in use. ENERGY: 751200 732.4834 2140.6978 1930.8164 107.1593 -206619.2224 17990.8491 0.0000 0.0000 34241.8743 -149475.3420 299.0428 -183717.2163 -149377.2386 299.1882 15.9415 39.9726 557408.1101 11.0849 10.8491 PRESSURE: 751400 -18.1685 -48.908 -61.7243 -48.9061 -15.0703 145.473 -61.724 145.473 -12.2901 GPRESSURE: 751400 61.9819 -26.8041 -36.7137 -69.0052 -39.7008 200.043 -142.245 208.962 39.9176 PRESSAVG: 751400 -33.7011 13.5049 47.5295 13.505 6.97816 18.4395 47.5294 18.4394 18.4358 GPRESSAVG: 751400 -34.6848 12.7989 46.9683 12.1579 7.05749 18.4893 46.3219 21.078 19.4595 TIMING: 751400 CPU: 2256.46, 0.00299846/step Wall: 2256.46, 0.00299845/step, 3.53868 hours remaining, 207.136719 MB of memory in use. ENERGY: 751400 762.9790 2090.8172 1939.3003 110.8987 -206711.1038 18066.6325 0.0000 0.0000 34191.7552 -149548.7209 298.6051 -183740.4762 -149449.6608 298.5868 -15.1763 20.7329 557347.1094 -2.7624 -2.7226 PRESSURE: 751600 -170.12 191.222 -149.38 191.221 -180.049 -71.6308 -149.379 -71.6307 -26.0562 GPRESSURE: 751600 -91.5398 160.339 -134.203 205.492 -179.004 -106.77 -85.0099 -91.5821 -3.27168 PRESSAVG: 751600 -1.2865 12.1959 9.98617 12.196 27.6878 19.9137 9.98624 19.9136 -76.7189 GPRESSAVG: 751600 -0.421863 13.1097 8.79608 11.5648 28.6231 17.5612 10.6567 19.626 -78.0939 TIMING: 751600 CPU: 2257.07, 0.00303422/step Wall: 2257.07, 0.00303422/step, 3.58071 hours remaining, 207.136719 MB of memory in use. ENERGY: 751600 747.7689 2123.1854 1946.7762 117.9976 -206590.4521 17802.0094 0.0000 0.0000 34200.0477 -149652.6669 298.6775 -183852.7146 -149551.0687 298.5468 -125.4083 -91.2719 558304.4369 -16.7725 -16.6309 PRESSURE: 751800 -98.735 -120.002 27.9608 -120.002 -81.2126 -5.83543 27.9608 -5.83504 -418.499 GPRESSURE: 751800 -99.6168 -95.2694 -13.411 -52.0316 -13.9354 -13.0956 80.138 -39.1857 -387.287 PRESSAVG: 751800 59.8569 -18.3799 -5.5572 -18.38 -49.4614 0.451313 -5.55714 0.45131 -21.8892 GPRESSAVG: 751800 60.279 -18.8468 -2.8366 -15.8082 -49.3003 2.36297 -4.98989 -1.07105 -22.4572 TIMING: 751800 CPU: 2257.68, 0.00302229/step Wall: 2257.68, 0.00302229/step, 3.56647 hours remaining, 207.136719 MB of memory in use. ENERGY: 751800 769.7370 2131.4690 1921.9020 110.4227 -206202.1871 17592.2045 0.0000 0.0000 34284.9608 -149391.4910 299.4191 -183676.4518 -149291.8020 298.5065 -199.4823 -166.9465 559313.3497 -3.8312 -3.8262 PRESSURE: 752000 -268.225 95.3716 -172.395 95.3723 -101.071 -96.5733 -172.395 -96.5746 -140.386 GPRESSURE: 752000 -221.249 159.367 -127.12 68.5711 -101.205 -226.662 -153.222 -28.5406 -89.4026 PRESSAVG: 752000 53.0163 -45.8957 -4.36778 -45.8957 -56.9697 6.17813 -4.36784 6.17821 46.4075 GPRESSAVG: 752000 53.4459 -46.8376 -6.13778 -46.3851 -57.0967 6.18402 -5.16591 9.68122 45.8966 TIMING: 752000 CPU: 2258.28, 0.00302529/step Wall: 2258.28, 0.00302529/step, 3.56984 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: 752000 770.5440 2048.2387 1947.2181 103.9718 -206206.1334 17639.6251 0.0000 0.0000 34390.7188 -149305.8169 300.3427 -183696.5357 -149212.2927 299.5230 -169.8939 -137.2855 557191.1952 14.1514 14.0819 PRESSURE: 752200 28.0105 -11.3467 -112.867 -11.3473 -173.854 -127.855 -112.867 -127.856 -215.992 GPRESSURE: 752200 58.7474 -56.4389 -192.808 -3.77071 -157.018 -177.035 -74.8378 -94.0084 -170.414 PRESSAVG: 752200 -14.493 24.9032 -51.5011 24.9031 -78.6834 -15.9147 -51.501 -15.9148 89.988 GPRESSAVG: 752200 -13.9824 25.676 -49.2022 26.0588 -79.9337 -15.793 -53.1852 -17.6782 90.7389 TIMING: 752200 CPU: 2258.88, 0.00301464/step Wall: 2258.88, 0.00301464/step, 3.5571 hours remaining, 207.136719 MB of memory in use. ENERGY: 752200 735.9044 2116.7303 1933.0605 101.7346 -205919.6863 17561.8375 0.0000 0.0000 34118.9754 -149351.4435 297.9695 -183470.4189 -149253.5688 299.3210 -120.6118 -89.5616 556384.6347 -1.0628 -1.0591 LDB: ============= START OF LOAD BALANCING ============== 2262.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2262.4 LDB: =============== DONE WITH MIGRATION ================ 2262.4 LDB: ============= START OF LOAD BALANCING ============== 2262.71 LDB: Largest compute 4773 load 0.024264 is 20.6% of average load 0.117989 LDB: Average compute 0.001723 is 1.5% of average load 0.117989 LDB: TIME 2262.71 LOAD: AVG 0.117989 MAX 0.212983 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.609 MB LDB: TIME 2262.71 LOAD: AVG 0.117989 MAX 0.212983 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.812 MB LDB: TIME 2262.71 LOAD: AVG 0.117989 MAX 0.212983 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.812 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2262.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2262.72 PRESSURE: 752400 -141.162 134.116 -55.3115 134.116 58.2779 -28.6407 -55.3108 -28.6386 -320.161 GPRESSURE: 752400 -111.055 147.484 29.82 165.828 53.1131 -77.4753 -12.186 1.31991 -240.479 PRESSAVG: 752400 -56.6614 -5.27616 -72.8354 -5.27604 37.1854 -14.0115 -72.8354 -14.0114 -16.9008 GPRESSAVG: 752400 -57.6432 -4.28473 -74.7931 -8.09689 36.2959 -14.0633 -69.425 -14.4442 -15.3885 TIMING: 752400 CPU: 2259.5, 0.00307703/step Wall: 2259.5, 0.00307703/step, 3.63055 hours remaining, 208.417969 MB of memory in use. ENERGY: 752400 764.5951 2077.3556 1944.6216 119.0295 -206381.5178 17811.4566 0.0000 0.0000 34101.7982 -149562.6611 297.8195 -183664.4594 -149471.4911 298.4700 -134.3485 -99.4737 557984.2936 -12.1256 -12.2453 PRESSURE: 752600 -344.452 -34.2291 12.8043 -34.2278 -380.363 -131.581 12.8045 -131.582 13.5872 GPRESSURE: 752600 -254.454 -67.3432 41.9836 49.4802 -288.696 -99.024 -34.1334 -71.6832 -64.0387 PRESSAVG: 752600 -19.6255 -12.3302 -43.7626 -12.3302 8.8862 -38.2966 -43.7625 -38.2966 -2.05209 GPRESSAVG: 752600 -19.8593 -13.6335 -44.0064 -12.509 10.3044 -38.7728 -45.7927 -38.4476 -2.8485 TIMING: 752600 CPU: 2260.1, 0.00302497/step Wall: 2260.1, 0.00302497/step, 3.56896 hours remaining, 208.621094 MB of memory in use. ENERGY: 752600 738.1027 2073.0611 1919.9510 117.7434 -206268.8852 17516.8332 0.0000 0.0000 34087.9115 -149815.2823 297.6982 -183903.1938 -149718.9808 297.8732 -237.0762 -202.3963 556124.5344 -4.2638 -4.1345 PRESSURE: 752800 0.444206 -3.37761 -109.392 -3.37846 -247.251 -6.99948 -109.391 -6.99901 -238.214 GPRESSURE: 752800 46.3012 13.026 -185.616 -49.1251 -285.868 -8.20615 -89.178 -8.90354 -154.865 PRESSAVG: 752800 4.59894 21.12 -38.8016 21.12 -35.9504 -16.6291 -38.8017 -16.6291 42.4447 GPRESSAVG: 752800 5.18635 20.278 -38.8822 23.6409 -36.3361 -16.1006 -36.1334 -16.9598 41.8628 TIMING: 752800 CPU: 2260.71, 0.00300792/step Wall: 2260.71, 0.00300792/step, 3.54868 hours remaining, 208.621094 MB of memory in use. ENERGY: 752800 779.7595 2087.1531 1949.5400 122.2931 -206318.0310 17754.8858 0.0000 0.0000 34105.8428 -149518.5566 297.8548 -183624.3994 -149418.4348 297.8266 -161.6738 -131.4773 558366.1346 3.6977 3.5710 PRESSURE: 753000 56.0071 38.5363 30.9476 38.5355 -31.1758 -9.2053 30.9482 -9.20421 -24.1577 GPRESSURE: 753000 110.343 25.0958 59.4032 40.4332 -110.884 -27.1395 -52.2332 20.8842 106.674 PRESSAVG: 753000 -11.8905 -27.1817 30.5019 -27.1817 18.0918 38.8244 30.502 38.8244 -18.5571 GPRESSAVG: 753000 -10.7844 -26.0047 29.0327 -28.6715 17.7117 38.1115 26.4906 40.0765 -19.0711 TIMING: 753000 CPU: 2261.3, 0.00298135/step Wall: 2261.3, 0.00298135/step, 3.51717 hours remaining, 208.621094 MB of memory in use. ENERGY: 753000 790.2142 2083.1479 1957.3808 101.2909 -206691.8188 18053.0511 0.0000 0.0000 34301.3728 -149405.3611 299.5624 -183706.7339 -149314.6944 298.5849 0.2245 35.3777 556414.1525 -4.1186 -4.0479 PRESSURE: 753200 -94.8781 -73.6012 -51.0081 -73.6003 -248.509 -51.1721 -51.0092 -51.1738 -28.6702 GPRESSURE: 753200 -33.7709 -15.6923 -109.353 -122.562 -215.148 -70.6105 -57.8843 -17.7134 -29.4276 PRESSAVG: 753200 -26.9459 -25.7981 -29.4037 -25.7981 35.8195 9.0964 -29.4037 9.0963 -19.3825 GPRESSAVG: 753200 -27.2158 -24.7414 -30.2179 -26.9243 36.0362 10.533 -27.7166 6.52555 -18.8852 TIMING: 753200 CPU: 2261.9, 0.00299879/step Wall: 2261.9, 0.00299879/step, 3.53757 hours remaining, 208.621094 MB of memory in use. ENERGY: 753200 747.7058 2058.2383 1932.7830 116.4172 -205896.5846 17639.1838 0.0000 0.0000 33952.7977 -149449.4588 296.5182 -183402.2565 -149358.9416 298.8265 -124.0191 -92.7820 557989.0184 -3.5030 -3.3550 PRESSURE: 753400 272.997 -144.712 70.2643 -144.712 326.401 -286.593 70.2647 -286.592 127.685 GPRESSURE: 753400 328.969 -124.931 59.8378 -190.233 349.119 -266.173 149.465 -265.763 140.196 PRESSAVG: 753400 18.3513 -4.54593 22.4886 -4.54591 -37.4652 -6.31719 22.4886 -6.31707 7.44346 GPRESSAVG: 753400 16.8923 -7.06875 24.6279 -2.62487 -36.442 -6.67059 23.1781 -3.80851 7.77248 TIMING: 753400 CPU: 2262.5, 0.0030087/step Wall: 2262.5, 0.0030087/step, 3.54909 hours remaining, 208.621094 MB of memory in use. ENERGY: 753400 717.7448 2102.8039 1927.8708 106.8950 -206723.7605 18161.0972 0.0000 0.0000 34394.5775 -149312.7714 300.3764 -183707.3489 -149209.0607 299.3565 242.3611 272.7614 556652.6340 -3.8902 -3.9257 PRESSURE: 753600 -215.37 -90.5115 46.8262 -90.5117 9.19088 67.2313 46.8266 67.2313 9.20969 GPRESSURE: 753600 -271.607 -104.815 130.88 -94.3077 110.835 18.4523 -27.9179 82.8556 55.3501 PRESSAVG: 753600 14.3598 8.29959 41.2235 8.29956 47.4285 -17.5346 41.2235 -17.5347 -84.2589 GPRESSAVG: 753600 15.0491 8.49272 40.1993 7.85321 46.1367 -17.3409 41.7637 -18.2993 -83.8839 TIMING: 753600 CPU: 2263.11, 0.00301416/step Wall: 2263.11, 0.00301416/step, 3.55536 hours remaining, 208.621094 MB of memory in use. ENERGY: 753600 701.2707 2127.3724 1932.1835 114.7147 -205823.8197 17616.0660 0.0000 0.0000 34141.0385 -149191.1741 298.1622 -183332.2126 -149098.0312 299.2313 -65.6564 -35.1407 558400.7965 -7.4902 -7.5660 PRESSURE: 753800 -314.375 -81.6542 -70.9809 -81.6526 -376.824 54.75 -70.98 54.7498 -176.39 GPRESSURE: 753800 -259.076 -66.7519 -55.8987 -51.0108 -308.124 39.4137 -62.7732 19.8171 -204.415 PRESSAVG: 753800 -7.10273 40.5069 -28.5724 40.5068 32.2221 -20.006 -28.5724 -20.0061 -32.4065 GPRESSAVG: 753800 -7.98378 42.4881 -29.0506 41.2911 31.7196 -19.1793 -28.5624 -21.5404 -30.844 TIMING: 753800 CPU: 2263.71, 0.00301979/step Wall: 2263.71, 0.00301979/step, 3.56184 hours remaining, 208.621094 MB of memory in use. ENERGY: 753800 774.9188 2109.9467 1940.2467 109.8896 -205342.3720 17231.8146 0.0000 0.0000 34220.7534 -148954.8023 298.8584 -183175.5557 -148854.4599 299.7696 -289.1965 -257.2050 557295.9393 -2.4290 -2.3694 PRESSURE: 754000 -249.857 12.4733 -45.7979 12.4734 2.89611 -15.0151 -45.7982 -15.0159 59.0156 GPRESSURE: 754000 -192.116 12.9017 -80.1639 -52.4268 12.851 73.3198 -90.3246 27.2949 92.6114 PRESSAVG: 754000 -85.3924 -17.2213 14.116 -17.2213 61.9193 18.4454 14.116 18.4452 4.09353 GPRESSAVG: 754000 -84.3303 -17.7779 13.3166 -19.413 62.7998 18.7409 13.9867 17.2206 2.37039 TIMING: 754000 CPU: 2264.32, 0.00303093/step Wall: 2264.32, 0.00303093/step, 3.57482 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: 754000 737.5970 2095.5761 1916.4005 112.6539 -205753.8710 17530.2941 0.0000 0.0000 34380.2507 -148981.0988 300.2513 -183361.3495 -148877.9393 299.7413 -62.6485 -28.8846 557761.3547 -6.4599 -6.3867 PRESSURE: 754200 -216.478 73.9763 -87.8382 73.9759 -9.01558 -9.88654 -87.8387 -9.88603 -123.86 GPRESSURE: 754200 -118.926 133.074 -27.8104 -17.3115 -5.28002 20.7986 -68.1537 -4.06699 -125.648 PRESSAVG: 754200 -54.0688 26.6731 2.16227 26.6731 40.5111 -46.3215 2.16227 -46.3216 -3.18659 GPRESSAVG: 754200 -55.3707 27.8455 4.29763 27.2512 40.7328 -47.2533 3.15374 -42.7016 -2.20678 TIMING: 754200 CPU: 2264.92, 0.00300405/step Wall: 2264.92, 0.00300405/step, 3.54295 hours remaining, 208.621094 MB of memory in use. ENERGY: 754200 757.9368 2068.8162 1931.5229 102.6126 -205595.8167 17453.7136 0.0000 0.0000 34263.3474 -149017.8672 299.2303 -183281.2146 -148927.0617 299.4940 -116.4511 -83.2849 558463.1671 -5.5814 -5.6149 PRESSURE: 754400 -99.9414 -10.3565 -0.940343 -10.3569 -115.012 181.229 -0.938878 181.229 53.3603 GPRESSURE: 754400 -61.4523 10.2501 -37.6597 -90.4382 -72.7786 153.76 6.02117 181.412 72.2271 PRESSAVG: 754400 -53.1441 -30.788 -15.0719 -30.788 32.7665 48.001 -15.0718 48.001 -25.2964 GPRESSAVG: 754400 -52.7544 -32.1989 -14.6045 -29.2597 32.5101 47.4486 -16.4732 46.7915 -26.0497 TIMING: 754400 CPU: 2265.52, 0.00302384/step Wall: 2265.52, 0.00302384/step, 3.56612 hours remaining, 208.621094 MB of memory in use. ENERGY: 754400 770.1965 2118.4298 1922.2549 113.3756 -206233.8405 17767.2459 0.0000 0.0000 34481.2295 -149061.1083 301.1332 -183542.3379 -148963.9029 300.7603 -53.8643 -20.6679 557050.2127 -15.2247 -15.4314 PRESSURE: 754600 -331.867 62.5938 -23.8859 62.5939 -171.018 -42.0537 -23.8863 -42.0555 -164.102 GPRESSURE: 754600 -271.762 -20.4668 -20.3121 48.1725 -118.209 21.336 -53.7327 -72.9344 -165.335 PRESSAVG: 754600 -12.6766 14.4079 -8.95981 14.4078 17.7589 25.2544 -8.95976 25.2543 -1.4107 GPRESSAVG: 754600 -12.2539 13.5521 -8.42986 14.1318 18.0153 26.6267 -7.44628 22.8425 -2.31099 TIMING: 754600 CPU: 2266.13, 0.00302345/step Wall: 2266.13, 0.00302345/step, 3.56548 hours remaining, 208.621094 MB of memory in use. ENERGY: 754600 785.5539 2092.1713 1921.4530 108.3107 -206091.7712 17540.6569 0.0000 0.0000 34361.0838 -149282.5416 300.0839 -183643.6254 -149180.2365 299.4561 -222.3292 -185.1022 555616.6411 1.2239 1.1501 PRESSURE: 754800 -78.0502 -78.0737 -67.8895 -78.073 142.048 12.0485 -67.8896 12.0474 -520.038 GPRESSURE: 754800 -69.3694 -34.6079 -165.231 -208.998 238.493 28.8203 -58.5522 8.07365 -525.542 PRESSAVG: 754800 40.1796 21.4873 -2.28254 21.4873 79.4451 6.65405 -2.28264 6.65394 -89.2266 GPRESSAVG: 754800 39.7318 22.8362 -3.03122 20.8066 78.6719 4.75128 -4.04105 8.95216 -88.6302 TIMING: 754800 CPU: 2266.73, 0.00301564/step Wall: 2266.73, 0.00301564/step, 3.55611 hours remaining, 208.621094 MB of memory in use. ENERGY: 754800 780.7504 2058.1309 1914.4142 97.9721 -205953.7391 17642.9547 0.0000 0.0000 34122.6656 -149336.8512 298.0017 -183459.5168 -149237.8734 298.9016 -152.0133 -118.8062 557876.2404 10.1327 9.9245 PRESSURE: 755000 -190.601 -55.2818 -197.235 -55.2809 120.751 232.469 -197.233 232.468 68.6089 GPRESSURE: 755000 -169.108 -59.4193 -195.583 -12.8415 164.535 94.1725 -209.196 281.883 98.3642 PRESSAVG: 755000 52.8954 -27.3173 -11.0509 -27.3173 45.0626 4.89384 -11.051 4.89387 -104.302 GPRESSAVG: 755000 52.9504 -26.3831 -11.8656 -27.0926 44.1216 4.26408 -11.737 4.12139 -103.218 TIMING: 755000 CPU: 2267.33, 0.00300047/step Wall: 2267.33, 0.00300047/step, 3.53805 hours remaining, 208.621094 MB of memory in use. ENERGY: 755000 744.6444 2053.2676 1909.3572 116.8503 -206457.6215 17853.3483 0.0000 0.0000 34276.7317 -149503.4220 299.3472 -183780.1537 -149400.0704 299.1536 -0.4135 31.2637 557469.7787 -2.1147 -2.0487 PRESSURE: 755200 -136.043 -81.6931 72.4868 -81.6926 -389.415 153.764 72.4846 153.763 -97.7842 GPRESSURE: 755200 -130.245 -55.3834 90.232 -98.3215 -317.082 103.904 141.635 168.848 -75.2052 PRESSAVG: 755200 -11.1515 -52.5224 -18.7659 -52.5224 -0.332493 2.88519 -18.7659 2.88521 20.4741 GPRESSAVG: 755200 -12.8677 -52.0336 -16.9895 -54.4255 1.60942 4.93409 -17.6424 3.58078 20.6598 TIMING: 755200 CPU: 2267.93, 0.00302229/step Wall: 2267.93, 0.00302229/step, 3.56361 hours remaining, 208.621094 MB of memory in use. ENERGY: 755200 767.2934 2123.7740 1906.0742 119.3957 -206218.9646 17551.6446 0.0000 0.0000 34305.0808 -149445.7019 299.5948 -183750.7827 -149354.8802 298.6579 -207.7476 -174.1773 557943.5764 2.9967 3.1338 PRESSURE: 755400 145.353 28.6927 -41.0346 28.6922 90.5555 -218.348 -41.0353 -218.347 358.117 GPRESSURE: 755400 203.237 1.18173 -46.3172 -1.08394 134.018 -256.217 -48.8729 -167.133 369.328 PRESSAVG: 755400 -3.75352 33.3002 -5.0936 33.3002 13.6798 30.3996 -5.09361 30.3995 2.31653 GPRESSAVG: 755400 -2.65638 30.9735 -4.65691 36.5308 12.6437 27.3143 -6.69132 30.2796 1.99496 TIMING: 755400 CPU: 2268.54, 0.00301447/step Wall: 2268.54, 0.00301447/step, 3.55422 hours remaining, 208.621094 MB of memory in use. ENERGY: 755400 733.1244 2045.7318 1942.1090 113.3198 -206952.1074 18227.5995 0.0000 0.0000 34377.6259 -149512.5971 300.2284 -183890.2229 -149408.4780 298.5589 198.0084 235.5278 556527.2155 4.0809 3.9941 PRESSURE: 755600 105.994 40.4895 -114.018 40.4903 113.518 -60.3653 -114.018 -60.3644 110.852 GPRESSURE: 755600 84.135 -64.1012 -189.083 49.6733 173.7 3.49161 -95.6302 -116.19 167.466 PRESSAVG: 755600 -29.9498 48.7508 27.3647 48.7509 52.5565 28.1898 27.3646 28.1899 -5.09916 GPRESSAVG: 755600 -30.0768 48.506 24.6691 47.9592 52.9005 30.402 26.7422 28.2497 -5.54435 TIMING: 755600 CPU: 2269.14, 0.00303073/step Wall: 2269.14, 0.00303073/step, 3.57323 hours remaining, 208.621094 MB of memory in use. ENERGY: 755600 749.5795 2069.5330 1933.0858 107.8804 -206437.0778 17868.0652 0.0000 0.0000 34371.9185 -149337.0155 300.1785 -183708.9339 -149237.7594 298.7528 110.1213 141.7668 556616.2932 5.8359 5.7598 PRESSURE: 755800 -186.596 85.943 129.243 85.9427 -102.13 18.3723 129.243 18.3731 -17.963 GPRESSURE: 755800 -103.984 50.349 96.2315 76.4199 -107.79 63.9471 140.63 -24.2033 -2.10589 PRESSAVG: 755800 48.0093 47.124 -9.70365 47.1238 3.7768 4.46956 -9.70377 4.46963 -85.044 GPRESSAVG: 755800 47.3653 48.3094 -9.1536 46.108 4.18464 3.56338 -9.54142 4.44551 -84.5023 TIMING: 755800 CPU: 2269.74, 0.00300242/step Wall: 2269.74, 0.00300242/step, 3.53969 hours remaining, 208.621094 MB of memory in use. ENERGY: 755800 743.5803 2059.7241 1912.9315 123.1416 -205951.1519 17659.9321 0.0000 0.0000 34144.9746 -149306.8677 298.1966 -183451.8423 -149208.8911 298.6900 -102.2298 -71.2933 558285.7664 -11.0860 -10.9841 PRESSURE: 756000 46.5106 131.916 -93.1971 131.916 -219.373 -2.03556 -93.1962 -2.03496 -59.6366 GPRESSURE: 756000 123.89 189.829 -50.5382 68.8846 -217.227 107.224 -106.028 -20.6112 -51.3442 PRESSAVG: 756000 -48.8404 61.3093 21.5223 61.3094 88.254 45.6555 21.5224 45.6555 -28.8687 GPRESSAVG: 756000 -47.5624 61.5316 19.8464 63.9484 87.6272 45.143 23.1682 46.0572 -28.9763 TIMING: 756000 CPU: 2270.35, 0.0030266/step Wall: 2270.35, 0.0030266/step, 3.56802 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: 756000 803.6815 2110.0740 1926.9948 116.0610 -206236.0626 17875.2559 0.0000 0.0000 34041.6361 -149362.3593 297.2941 -183403.9954 -149275.4434 298.3860 -77.4997 -48.2268 559001.6282 3.5150 3.6962 PRESSURE: 756200 101.036 7.74321 -237.715 7.74156 67.7198 85.6794 -237.716 85.6796 -76.9391 GPRESSURE: 756200 145.545 -1.38664 -174.221 43.1546 127.859 -18.1354 -263.065 146.22 -89.5457 PRESSAVG: 756200 -21.1103 21.1125 28.0576 21.1124 34.3283 9.15711 28.0576 9.15702 -43.0244 GPRESSAVG: 756200 -21.2339 21.764 32.2001 21.3939 34.8319 8.65536 24.3279 9.31691 -42.4396 TIMING: 756200 CPU: 2270.96, 0.00302743/step Wall: 2270.96, 0.00302743/step, 3.56884 hours remaining, 208.621094 MB of memory in use. ENERGY: 756200 733.6458 2069.7269 1945.6896 103.1738 -206532.1794 18030.0280 0.0000 0.0000 34286.5471 -149363.3683 299.4329 -183649.9154 -149255.2513 298.3644 30.6054 61.2861 556865.2663 -9.9355 -9.6139 LDB: ============= START OF LOAD BALANCING ============== 2274.48 LDB: ============== END OF LOAD BALANCING =============== 2274.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2274.48 LDB: ============= START OF LOAD BALANCING ============== 2274.78 LDB: Largest compute 4773 load 0.024362 is 20.7% of average load 0.117910 LDB: Average compute 0.001731 is 1.5% of average load 0.117910 LDB: TIME 2274.78 LOAD: AVG 0.11791 MAX 0.214056 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.625 MB LDB: TIME 2274.78 LOAD: AVG 0.11791 MAX 0.214056 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.828 MB LDB: TIME 2274.79 LOAD: AVG 0.11791 MAX 0.214056 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.828 MB LDB: ============== END OF LOAD BALANCING =============== 2274.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2274.79 PRESSURE: 756400 -127.549 -8.63117 5.52959 -8.63146 -238.538 -109.196 5.52952 -109.197 -296.067 GPRESSURE: 756400 -126.462 -50.5725 41.098 59.4997 -154.609 -118.071 -50.3939 -53.3829 -295.199 PRESSAVG: 756400 -6.53574 -22.8429 -28.5732 -22.8428 49.4406 29.2667 -28.5733 29.2666 -20.2321 GPRESSAVG: 756400 -7.06054 -23.2914 -31.4692 -24.1799 49.8094 30.3179 -27.1983 28.756 -20.2115 TIMING: 756400 CPU: 2271.57, 0.00309633/step Wall: 2271.57, 0.00309633/step, 3.64989 hours remaining, 208.226562 MB of memory in use. ENERGY: 756400 768.7329 2117.0099 1948.2373 117.1080 -205985.3864 17625.9158 0.0000 0.0000 34034.9362 -149373.4464 297.2356 -183408.3826 -149285.5322 299.2982 -220.7179 -192.0900 558643.1734 7.5576 7.5125 PRESSURE: 756600 -191.211 -4.05379 45.9383 -4.0535 -288.222 -70.0088 45.9393 -70.0087 -71.8734 GPRESSURE: 756600 -171.713 -80.9768 40.4304 40.3335 -248.172 -51.1515 129.937 -43.6366 -18.8517 PRESSAVG: 756600 -21.715 32.6766 -57.9045 32.6767 -19.609 17.2659 -57.9046 17.2659 5.2419 GPRESSAVG: 756600 -19.3062 32.8848 -57.809 30.7162 -20.0778 20.372 -57.1809 16.3498 3.33055 TIMING: 756600 CPU: 2272.17, 0.00300134/step Wall: 2272.17, 0.00300135/step, 3.53775 hours remaining, 208.296875 MB of memory in use. ENERGY: 756600 758.2255 2048.0953 1899.1731 107.7112 -205880.0647 17589.1495 0.0000 0.0000 34233.5652 -149244.1448 298.9702 -183477.7100 -149143.6473 299.3745 -183.7688 -146.2456 557539.4658 -12.0274 -12.0178 PRESSURE: 756800 -126.237 -116.313 98.091 -116.313 -42.405 119.24 98.0903 119.242 -2.19943 GPRESSURE: 756800 -162.889 -153.139 97.0373 -66.3957 -12.9867 137.604 96.5113 73.8466 103.644 PRESSAVG: 756800 -15.9557 38.8727 -26.9947 38.8727 14.0544 -21.9286 -26.9947 -21.9287 26.6561 GPRESSAVG: 756800 -17.1952 38.7471 -27.2185 40.3637 15.095 -24.032 -25.2717 -20.6237 27.4444 TIMING: 756800 CPU: 2272.77, 0.002989/step Wall: 2272.77, 0.002989/step, 3.52304 hours remaining, 208.296875 MB of memory in use. ENERGY: 756800 747.9047 2130.6960 1910.2680 105.7321 -205955.0088 17812.1464 0.0000 0.0000 33924.5917 -149323.6699 296.2719 -183248.2616 -149229.7702 299.1243 -56.9471 -24.0773 557557.4861 8.2516 8.4481 PRESSURE: 757000 -10.3652 58.524 -65.01 58.5235 -131.183 -20.2881 -65.0087 -20.2891 -134.473 GPRESSURE: 757000 9.76119 60.8664 0.266579 57.6997 -44.2602 -52.3806 -95.9138 -8.47772 -149.758 PRESSAVG: 757000 -12.2483 53.1281 33.5948 53.1281 57.2364 2.95064 33.5948 2.95061 18.4166 GPRESSAVG: 757000 -11.901 53.4645 35.6439 53.7272 56.9087 2.28828 31.6389 2.71866 18.5284 TIMING: 757000 CPU: 2273.37, 0.00299244/step Wall: 2273.37, 0.00299244/step, 3.52693 hours remaining, 208.296875 MB of memory in use. ENERGY: 757000 752.2735 2070.6251 1921.8870 114.7302 -206165.5796 17879.4920 0.0000 0.0000 34049.6462 -149376.9256 297.3640 -183426.5718 -149280.9734 299.0460 -92.0071 -61.4190 558954.2793 21.1349 21.1787 PRESSURE: 757200 -188.532 151.278 -163.804 151.281 283.016 -38.7622 -163.804 -38.7648 123.858 GPRESSURE: 757200 -188.529 170.478 -138.455 187.884 283.492 -134.616 -158.022 70.9472 215.66 PRESSAVG: 757200 4.84118 21.6422 3.15749 21.6423 -0.00479196 -57.706 3.15756 -57.706 -79.083 GPRESSAVG: 757200 3.87232 21.3135 1.8608 21.7523 0.405882 -59.402 2.95992 -58.283 -78.0385 TIMING: 757200 CPU: 2273.97, 0.00298685/step Wall: 2273.97, 0.00298685/step, 3.52017 hours remaining, 208.296875 MB of memory in use. ENERGY: 757200 721.3602 2075.8708 1930.4326 100.9267 -206171.6245 17809.0369 0.0000 0.0000 34316.2453 -149217.7520 299.6923 -183533.9973 -149119.2685 299.2643 72.7806 103.5411 555820.3536 -24.7489 -24.5868 PRESSURE: 757400 149.737 -19.7106 -20.2817 -19.7104 -86.8677 204.918 -20.2819 204.919 -6.46952 GPRESSURE: 757400 142.712 5.80068 -15.0718 -77.8414 -0.754701 224.075 29.8505 202.051 4.08599 PRESSAVG: 757400 -5.08803 -9.30681 -34.6482 -9.30684 20.8136 47.35 -34.6481 47.3501 12.9028 GPRESSAVG: 757400 -4.94159 -8.71498 -32.0907 -10.0109 20.7919 50.011 -34.5024 46.749 12.2116 TIMING: 757400 CPU: 2274.57, 0.00303157/step Wall: 2274.57, 0.00303157/step, 3.57271 hours remaining, 208.296875 MB of memory in use. ENERGY: 757400 784.9174 2058.6802 1938.5192 107.1960 -206287.1939 17815.6881 0.0000 0.0000 34318.4584 -149263.7347 299.7116 -183582.1930 -149175.6584 298.6620 18.7999 48.6810 556444.8495 9.5428 9.3540 PRESSURE: 757600 -237.759 81.8661 66.691 81.8657 -294.538 -129.99 66.6901 -129.99 -111.757 GPRESSURE: 757600 -174.474 82.2466 48.5507 136.148 -229.532 -23.4196 85.7477 -252.808 -141.11 PRESSAVG: 757600 -11.3119 1.10138 11.0258 1.10141 -48.9786 -44.4355 11.0258 -44.4354 84.9076 GPRESSAVG: 757600 -11.5139 0.684501 8.72249 2.92189 -49.6691 -45.5414 10.4039 -44.5325 86.2741 TIMING: 757600 CPU: 2275.19, 0.00308194/step Wall: 2275.19, 0.00308194/step, 3.6319 hours remaining, 208.296875 MB of memory in use. ENERGY: 757600 735.2875 2113.8677 1910.2696 111.5145 -205459.1649 17277.3246 0.0000 0.0000 34145.1586 -149165.7424 298.1982 -183310.9010 -149068.4392 298.6417 -214.6849 -181.7055 557281.1841 8.2057 8.3637 PRESSURE: 757800 -98.0368 -52.6845 78.2691 -52.6852 -53.2171 114.611 78.2697 114.612 -204.191 GPRESSURE: 757800 -50.0331 -105.402 7.75788 -63.6311 -78.0989 135.038 109.252 121.58 -131.18 PRESSAVG: 757800 -32.2722 -25.1934 7.4466 -25.1934 -20.5554 -23.1806 7.44657 -23.1806 1.35596 GPRESSAVG: 757800 -31.0774 -23.2614 7.53732 -28.33 -20.7223 -23.8134 9.06557 -22.3085 0.451986 TIMING: 757800 CPU: 2275.8, 0.00305331/step Wall: 2275.8, 0.00305331/step, 3.59799 hours remaining, 208.296875 MB of memory in use. ENERGY: 757800 755.3684 2091.0535 1912.7685 107.3522 -206011.4106 17691.0560 0.0000 0.0000 34282.5606 -149171.2514 299.3981 -183453.8120 -149074.7803 299.7794 -118.4816 -86.4374 556843.1436 -17.1572 -17.1159 PRESSURE: 758000 28.0248 100.443 -154.991 100.444 146.184 6.38752 -154.989 6.38695 123.22 GPRESSURE: 758000 83.3042 15.8388 -201.409 99.0045 188.177 21.6552 -125.963 91.5178 133.552 PRESSAVG: 758000 -2.12456 -76.5882 -29.6148 -76.5883 56.3885 -40.737 -29.6149 -40.737 -29.1658 GPRESSAVG: 758000 -3.84162 -78.1393 -30.5744 -74.5176 57.3631 -39.8364 -30.0813 -42.3327 -28.4129 TIMING: 758000 CPU: 2276.41, 0.00306478/step Wall: 2276.41, 0.00306478/step, 3.61133 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: 758000 780.9950 2118.5533 1910.2761 111.0275 -206271.6208 17949.3080 0.0000 0.0000 34447.5078 -148953.9532 300.8387 -183401.4610 -148855.9178 299.8721 99.1431 135.0112 557102.5289 8.3660 8.3695 PRESSURE: 758200 -291.664 2.97905 64.1154 2.97808 66.0503 107.6 64.1149 107.6 -104.878 GPRESSURE: 758200 -273.016 2.12458 10.4835 -21.81 124.252 56.4245 17.812 44.2684 -85.261 PRESSAVG: 758200 -47.9279 14.4372 -6.47878 14.4372 35.8266 -24.1908 -6.47885 -24.1908 20.0711 GPRESSAVG: 758200 -46.5122 14.8267 -6.09492 14.4354 34.3378 -23.6832 -7.91751 -23.4796 19.7163 TIMING: 758200 CPU: 2277.02, 0.00304854/step Wall: 2277.02, 0.00304854/step, 3.59202 hours remaining, 208.296875 MB of memory in use. ENERGY: 758200 750.4116 2093.2833 1886.9806 112.6788 -205920.6943 17772.9621 0.0000 0.0000 34313.6688 -148990.7091 299.6698 -183304.3779 -148895.1817 300.5215 -110.1639 -78.0083 557477.3399 2.6566 2.5139 PRESSURE: 758400 58.6607 -47.8816 19.6849 -47.8821 -67.7775 91.8315 19.6853 91.8311 -99.6595 GPRESSURE: 758400 99.7782 -69.9413 -69.1453 -37.0401 -31.4691 69.5142 80.0813 78.2304 -80.2666 PRESSAVG: 758400 -13.6697 24.5031 -4.51733 24.5032 20.9864 -38.1163 -4.51739 -38.1164 16.1378 GPRESSAVG: 758400 -13.9467 22.2382 -5.84417 25.9101 22.6731 -37.9044 -4.16345 -38.0513 14.9862 TIMING: 758400 CPU: 2277.64, 0.00306638/step Wall: 2277.64, 0.00306638/step, 3.61288 hours remaining, 208.296875 MB of memory in use. ENERGY: 758400 781.6320 2157.7709 1933.0836 110.6863 -206188.7449 17856.1439 0.0000 0.0000 34262.3999 -149087.0284 299.2221 -183349.4283 -148996.9700 300.2505 -36.2588 -3.9859 558654.8647 7.8182 7.9042 PRESSURE: 758600 64.9818 122.546 -12.9293 122.547 245.3 96.1519 -12.9289 96.1521 88.5033 GPRESSURE: 758600 137.702 126.883 -68.7673 100.591 254.514 156.671 -10.5402 35.4671 104.072 PRESSAVG: 758600 -32.9449 -3.33128 4.27984 -3.33132 -6.98928 -17.1353 4.27986 -17.1353 -11.7841 GPRESSAVG: 758600 -33.6651 -1.63602 4.83494 -3.83787 -7.48968 -18.7852 3.6545 -17.3793 -10.116 TIMING: 758600 CPU: 2278.25, 0.00305249/step Wall: 2278.25, 0.00305249/step, 3.59635 hours remaining, 208.296875 MB of memory in use. ENERGY: 758600 747.7991 2045.0246 1943.0991 114.4262 -206236.5798 17932.0175 0.0000 0.0000 34196.4326 -149257.7807 298.6460 -183454.2133 -149159.9546 299.5749 132.9284 165.4294 557180.6965 -17.2394 -17.0903 PRESSURE: 758800 136.469 27.052 121.677 27.0515 -242.177 59.705 121.676 59.7035 -132.186 GPRESSURE: 758800 110.209 -19.0907 123.78 -2.70905 -159.094 50.9491 63.6007 18.2102 -102.918 PRESSAVG: 758800 81.6687 -44.9609 28.0348 -44.9609 -86.0499 -32.9017 28.0349 -32.9017 33.2139 GPRESSAVG: 758800 81.3161 -46.8773 27.2949 -43.1357 -85.1723 -34.5805 29.0204 -34.2419 32.6962 TIMING: 758800 CPU: 2278.85, 0.00303112/step Wall: 2278.85, 0.00303112/step, 3.571 hours remaining, 208.296875 MB of memory in use. ENERGY: 758800 751.5686 2163.9263 1936.1228 120.9318 -206243.6286 17703.9297 0.0000 0.0000 34493.4774 -149073.6720 301.2401 -183567.1494 -148981.7202 299.3847 -79.2981 -50.6010 556952.5860 9.6109 9.6134 PRESSURE: 759000 63.4234 -52.9413 -62.4222 -52.9399 -224.976 -70.0824 -62.4215 -70.0821 47.0002 GPRESSURE: 759000 96.7512 84.3944 -70.2618 -101.838 -206.277 -158.037 -132.817 -41.4243 89.4596 PRESSAVG: 759000 56.885 4.33717 -8.50723 4.33704 1.7277 -26.4871 -8.50729 -26.4871 -43.4692 GPRESSAVG: 759000 58.0628 6.58249 -8.35792 3.16747 0.97802 -25.8035 -7.9649 -25.3737 -43.5119 TIMING: 759000 CPU: 2279.46, 0.00305177/step Wall: 2279.46, 0.00305177/step, 3.59516 hours remaining, 208.296875 MB of memory in use. ENERGY: 759000 754.0383 2102.7152 1895.6329 103.3553 -206281.3331 17833.2906 0.0000 0.0000 34465.2316 -149127.0692 300.9934 -183592.3008 -149033.4002 300.0409 -38.1842 -6.6887 557732.7393 5.0479 5.1763 PRESSURE: 759200 -37.3367 146.543 -204.718 146.543 96.3657 104.485 -204.719 104.485 -58.7864 GPRESSURE: 759200 13.1436 120.077 -101.726 129.128 159.666 28.7301 -250.682 75.9375 -86.1703 PRESSAVG: 759200 -48.0436 -22.4505 -36.0506 -22.4506 53.9464 -10.5816 -36.0506 -10.5816 -13.6796 GPRESSAVG: 759200 -48.6211 -22.9625 -36.9209 -22.1438 54.3459 -8.3688 -36.9252 -10.9908 -13.486 TIMING: 759200 CPU: 2280.07, 0.00301848/step Wall: 2280.07, 0.00301848/step, 3.55577 hours remaining, 208.296875 MB of memory in use. ENERGY: 759200 751.9693 2086.7458 1926.2628 98.5273 -206237.3793 17953.3146 0.0000 0.0000 34238.5878 -149181.9716 299.0141 -183420.5594 -149086.0568 299.4932 0.0808 28.8799 557860.5474 -2.5923 -2.5870 PRESSURE: 759400 -163.588 -35.9462 170.481 -35.9461 96.8451 -92.98 170.481 -92.9792 355.061 GPRESSURE: 759400 -65.9225 84.5836 109.207 -161.977 101.174 -137.977 145.17 -22.9572 345.216 PRESSAVG: 759400 -24.292 -41.0104 -44.2409 -41.0105 54.3799 -4.70003 -44.2408 -4.70013 -30.6037 GPRESSAVG: 759400 -24.3091 -40.4574 -42.1043 -43.1075 53.7015 -4.11866 -45.5347 -3.42039 -30.0546 TIMING: 759400 CPU: 2280.68, 0.00306287/step Wall: 2280.68, 0.00306287/step, 3.60789 hours remaining, 208.296875 MB of memory in use. ENERGY: 759400 776.6000 2106.4168 1921.0482 114.2148 -206199.3657 17923.3125 0.0000 0.0000 34299.5644 -149058.2090 299.5466 -183357.7734 -148962.4168 299.6721 96.1062 126.8225 556537.1714 -0.1719 -0.2207 PRESSURE: 759600 215.915 156.955 64.1283 156.956 207.806 -149.573 64.1274 -149.575 51.2758 GPRESSURE: 759600 238.047 118.44 134.812 119.392 261.823 -175.033 6.42673 -69.2547 70.4037 PRESSAVG: 759600 -16.1316 -12.997 23.2846 -12.9969 15.0098 -32.9655 23.2846 -32.9655 -0.285444 GPRESSAVG: 759600 -15.7049 -13.2998 23.9 -13.2258 15.4658 -34.4865 24.8127 -34.8362 -1.52991 TIMING: 759600 CPU: 2281.29, 0.00303686/step Wall: 2281.29, 0.00303686/step, 3.57708 hours remaining, 208.296875 MB of memory in use. ENERGY: 759600 774.7161 2140.2589 1924.0723 112.3357 -206411.0773 17994.8143 0.0000 0.0000 34452.9418 -149011.9384 300.8861 -183464.8802 -148912.8377 300.4350 158.3324 190.0911 556117.2105 -0.4691 -0.5897 PRESSURE: 759800 124.249 136.039 -28.8684 136.039 -185.542 303.78 -28.8689 303.781 -330.171 GPRESSURE: 759800 144.568 116.373 -25.8062 60.4236 -143.309 266.23 -10.9968 250.333 -291.119 PRESSAVG: 759800 84.0432 38.1935 10.4417 38.1934 -22.8516 8.28209 10.4417 8.28214 -51.8772 GPRESSAVG: 759800 83.9541 37.2661 8.8106 38.9826 -24.1439 7.20034 9.64332 8.61862 -50.6355 TIMING: 759800 CPU: 2281.89, 0.00302983/step Wall: 2281.89, 0.00302983/step, 3.56864 hours remaining, 208.296875 MB of memory in use. ENERGY: 759800 752.9683 2105.3773 1985.8201 118.1174 -206297.6243 17772.2372 0.0000 0.0000 34377.4412 -149185.6628 300.2267 -183563.1040 -149090.6515 300.3210 -130.4880 -96.6202 557157.2660 3.1048 3.0582 PRESSURE: 760000 94.4585 3.88867 -244.354 3.88965 -12.248 77.2708 -244.356 77.2708 66.198 GPRESSURE: 760000 149.963 -99.1168 -237.83 72.7798 -4.1139 45.1608 -215.914 51.0176 90.1927 PRESSAVG: 760000 33.6436 3.12842 -32.2124 3.12838 -6.24309 31.3009 -32.2124 31.3008 -17.0691 GPRESSAVG: 760000 34.1065 2.61828 -32.8621 2.93462 -5.50969 32.3053 -32.0837 30.102 -18.022 TIMING: 760000 CPU: 2282.5, 0.00304124/step Wall: 2282.5, 0.00304124/step, 3.5819 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: 760000 757.2403 2137.1112 1986.2919 116.5374 -206678.0826 17939.3776 0.0000 0.0000 34549.5889 -149191.9354 301.7302 -183741.5243 -149096.1220 299.7975 49.4695 78.6807 556163.1976 3.4438 3.5249 PRESSURE: 760200 -118.436 200.689 110.785 200.689 -169.974 33.8495 110.784 33.8511 -203.292 GPRESSURE: 760200 -82.7262 229.435 148.163 104.967 -97.8976 98.6272 126.103 -22.1779 -215.964 PRESSAVG: 760200 9.06579 22.2568 -51.5294 22.2568 11.5252 2.25006 -51.5294 2.24994 -43.0019 GPRESSAVG: 760200 7.90274 23.8075 -51.4911 22.9443 11.1447 3.97414 -52.6034 3.10619 -42.3211 TIMING: 760200 CPU: 2283.11, 0.00304605/step Wall: 2283.11, 0.00304605/step, 3.5874 hours remaining, 208.296875 MB of memory in use. ENERGY: 760200 765.5673 2071.5045 1948.3132 104.8450 -206195.9126 17590.1761 0.0000 0.0000 34371.5154 -149343.9910 300.1750 -183715.5065 -149243.0023 299.4748 -163.9006 -132.1959 557418.7223 -7.4703 -7.7579 LDB: ============= START OF LOAD BALANCING ============== 2286.63 LDB: ============== END OF LOAD BALANCING =============== 2286.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2286.63 LDB: ============= START OF LOAD BALANCING ============== 2286.94 LDB: Largest compute 4773 load 0.026287 is 22.3% of average load 0.117853 LDB: Average compute 0.001736 is 1.5% of average load 0.117853 LDB: TIME 2286.94 LOAD: AVG 0.117853 MAX 0.209814 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.395 MB LDB: TIME 2286.94 LOAD: AVG 0.117853 MAX 0.209814 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.395 MB LDB: TIME 2286.94 LOAD: AVG 0.117853 MAX 0.209814 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.395 MB LDB: ============== END OF LOAD BALANCING =============== 2286.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2286.95 PRESSURE: 760400 -222.71 -31.6003 -86.028 -31.6 28.6523 93.155 -86.0295 93.1553 -412.053 GPRESSURE: 760400 -218.549 -14.0702 -88.6622 -15.4392 47.3669 75.9062 -70.4231 95.3024 -349.175 PRESSAVG: 760400 15.2879 38.5453 -24.1087 38.5452 109.949 -21.1362 -24.1088 -21.1361 -122.916 GPRESSAVG: 760400 15.4829 37.6395 -21.0939 36.3289 110.359 -23.2552 -24.7896 -20.4261 -123.181 TIMING: 760400 CPU: 2283.73, 0.00308513/step Wall: 2283.73, 0.00308513/step, 3.63326 hours remaining, 208.734375 MB of memory in use. ENERGY: 760400 723.0435 2110.7758 1958.1885 106.7347 -205997.7242 17363.2314 0.0000 0.0000 34321.3208 -149414.4295 299.7366 -183735.7503 -149308.2650 298.9217 -202.0370 -173.4526 556736.3370 0.7736 0.8868 PRESSURE: 760600 238.089 109.854 109.053 109.855 -173.064 -23.117 109.053 -23.1182 -233.337 GPRESSURE: 760600 244.555 144.917 47.9429 16.0146 -146.767 2.0508 110.338 64.0396 -161.687 PRESSAVG: 760600 20.1982 -0.496323 57.5082 -0.496315 44.3187 38.7532 57.5081 38.7532 -72.2515 GPRESSAVG: 760600 19.6909 -1.27717 55.231 0.597843 45.2483 40.8202 60.8593 36.5341 -72.441 TIMING: 760600 CPU: 2284.33, 0.00302836/step Wall: 2284.33, 0.00302836/step, 3.56623 hours remaining, 208.734375 MB of memory in use. ENERGY: 760600 756.4390 2146.8344 1939.6954 115.5113 -206399.9166 17864.8000 0.0000 0.0000 34085.9677 -149490.6687 297.6812 -183576.6364 -149391.7541 298.6335 -56.1038 -21.2999 557284.8613 -2.5782 -2.5006 PRESSURE: 760800 217.043 -104.283 125.546 -104.282 192.286 6.70189 125.545 6.70246 158.941 GPRESSURE: 760800 230.807 20.7531 134.448 -216.876 253.299 -7.44475 116.768 47.3918 181.227 PRESSAVG: 760800 56.5341 -49.8823 14.8415 -49.8823 16.861 36.0478 14.8414 36.0479 -66.1909 GPRESSAVG: 760800 57.3734 -48.2975 16.4804 -51.2195 16.1679 34.926 13.3952 38.5152 -65.8048 TIMING: 760800 CPU: 2284.94, 0.00301214/step Wall: 2284.94, 0.00301214/step, 3.54696 hours remaining, 208.734375 MB of memory in use. ENERGY: 760800 741.5603 2103.2682 1948.4783 126.8261 -206852.0444 18174.4058 0.0000 0.0000 34285.2013 -149472.3042 299.4212 -183757.5055 -149374.1358 298.5881 189.4235 221.7776 556514.3576 2.4014 2.5788 PRESSURE: 761000 -56.4419 60.4274 4.04298 60.429 -292.019 -124.695 4.04292 -124.694 39.0149 GPRESSURE: 761000 -49.733 13.3381 -85.9383 122.547 -259.71 -217.886 94.5182 -59.1924 110.381 PRESSAVG: 761000 34.2219 -58.7211 -34.0178 -58.7211 -4.51947 4.87757 -34.0178 4.87756 -54.0274 GPRESSAVG: 761000 34.0553 -60.3763 -35.3144 -57.6144 -3.91673 5.6328 -35.3272 3.49713 -54.5364 TIMING: 761000 CPU: 2285.54, 0.00299894/step Wall: 2285.54, 0.00299894/step, 3.53126 hours remaining, 208.734375 MB of memory in use. ENERGY: 761000 747.4078 2135.8090 1926.5560 106.4226 -205913.7301 17487.2491 0.0000 0.0000 34105.6878 -149404.5978 297.8535 -183510.2856 -149314.8633 298.1724 -103.1488 -66.3540 557281.4581 -8.1083 -8.1326 PRESSURE: 761200 -203.965 17.1084 -207.824 17.1083 -192.633 27.1519 -207.824 27.1544 -75.1655 GPRESSURE: 761200 -189.602 -52.0957 -267.633 59.5746 -169.147 -1.29586 -167.263 -15.2319 -15.9354 PRESSAVG: 761200 -9.76621 -30.535 -17.6981 -30.535 -75.345 25.8098 -17.698 25.8099 82.9679 GPRESSAVG: 761200 -10.2352 -29.0559 -18.0798 -30.2768 -76.5405 26.3515 -16.2745 24.4588 84.5798 TIMING: 761200 CPU: 2286.14, 0.00299813/step Wall: 2286.14, 0.00299813/step, 3.53013 hours remaining, 208.734375 MB of memory in use. ENERGY: 761200 729.9917 2136.4046 1927.2436 109.9000 -206158.5307 17546.7860 0.0000 0.0000 34143.1551 -149565.0497 298.1807 -183708.2047 -149471.8758 298.7870 -157.2545 -124.8946 557261.5696 -0.7144 -0.7320 PRESSURE: 761400 179.96 131.311 -156.348 131.311 -85.6879 74.5418 -156.35 74.5432 -240.877 GPRESSURE: 761400 179.538 194.312 -188.719 105.819 -39.0537 62.3648 -181.389 0.215368 -177.237 PRESSAVG: 761400 -30.3424 -36.7379 -56.193 -36.7379 16.7659 -25.9137 -56.1929 -25.9136 49.9664 GPRESSAVG: 761400 -31.581 -36.5631 -57.5145 -36.3003 17.9561 -27.9 -56.3687 -25.1482 49.7108 TIMING: 761400 CPU: 2286.74, 0.00300889/step Wall: 2286.74, 0.00300889/step, 3.54263 hours remaining, 208.734375 MB of memory in use. ENERGY: 761400 742.6776 2101.0202 1943.7621 122.9684 -206139.9118 17618.7044 0.0000 0.0000 33989.8741 -149620.9050 296.8420 -183610.7791 -149524.4869 298.1415 -48.8681 -12.2509 555766.6103 12.1300 12.0286 PRESSURE: 761600 -75.4069 -82.4288 -47.7884 -82.4285 -166.456 -86.8025 -47.7884 -86.8035 63.0315 GPRESSURE: 761600 -80.4601 -117.047 0.889473 -63.9759 -75.7612 -124.833 -34.5041 -61.4715 71.7832 PRESSAVG: 761600 6.61877 -20.0974 3.41642 -20.0974 -39.0036 -7.94851 3.41635 -7.94849 48.6362 GPRESSAVG: 761600 7.8895 -20.3104 4.83697 -19.8268 -40.5399 -6.76723 4.1861 -5.429 48.6202 TIMING: 761600 CPU: 2287.34, 0.00300456/step Wall: 2287.34, 0.00300456/step, 3.53736 hours remaining, 208.734375 MB of memory in use. ENERGY: 761600 765.7097 2087.6263 1941.7544 123.5229 -206241.6888 17707.1501 0.0000 0.0000 34222.5640 -149393.3615 298.8742 -183615.9254 -149297.8079 298.7146 -59.6105 -28.1460 557179.9896 5.4172 5.3233 PRESSURE: 761800 -202.575 -201.378 -16.8546 -201.377 -137.651 -124.752 -16.8537 -124.752 -82.9593 GPRESSURE: 761800 -168.491 -188.852 2.34396 -149.347 -142.21 -114.415 -94.4867 -121.318 -26.6596 PRESSAVG: 761800 6.34379 -33.8958 -46.9736 -33.8958 1.11191 -23.3602 -46.9736 -23.3603 -41.2686 GPRESSAVG: 761800 5.58655 -33.8804 -46.1433 -34.5824 2.31192 -22.6976 -49.1561 -23.6349 -41.6075 TIMING: 761800 CPU: 2287.94, 0.00302563/step Wall: 2287.94, 0.00302563/step, 3.56201 hours remaining, 208.734375 MB of memory in use. ENERGY: 761800 756.1038 2094.1039 1941.1974 108.1781 -205820.5197 17455.8782 0.0000 0.0000 34140.8837 -149324.1747 298.1608 -183465.0584 -149225.6250 299.3095 -141.0618 -112.4534 557862.9301 -11.2710 -11.2363 PRESSURE: 762000 -116.244 -79.9012 180.534 -79.8994 18.6264 -61.8725 180.535 -61.8726 117.008 GPRESSURE: 762000 -88.4982 39.1823 98.6269 -183.209 35.271 -47.0235 167.537 -20.4692 160.165 PRESSAVG: 762000 25.5731 -70.1655 34.6062 -70.1655 30.9629 15.7895 34.6062 15.7895 -37.2782 GPRESSAVG: 762000 26.1014 -69.9622 34.3037 -70.4998 30.6506 14.2641 34.4862 14.2318 -37.2805 TIMING: 762000 CPU: 2288.55, 0.0030115/step Wall: 2288.55, 0.0030115/step, 3.54521 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: 762000 755.6454 2096.9742 1961.1181 122.8954 -206430.5514 17915.9274 0.0000 0.0000 34223.4163 -149354.5746 298.8816 -183577.9909 -149257.5335 298.9721 6.4634 35.6459 557484.3433 6.4193 6.4905 PRESSURE: 762200 229.021 2.51249 213.526 2.51248 223.19 132.665 213.525 132.664 19.5362 GPRESSURE: 762200 278.917 23.7784 275.677 7.869 249.793 69.7211 145.281 150.684 33.4455 PRESSAVG: 762200 16.6062 -83.2081 30.956 -83.2082 23.4035 1.25714 30.956 1.25706 -22.611 GPRESSAVG: 762200 17.0039 -82.9452 30.2268 -82.7962 22.7117 1.93804 30.0669 1.82764 -22.7325 TIMING: 762200 CPU: 2289.15, 0.00303601/step Wall: 2289.15, 0.00303601/step, 3.57388 hours remaining, 208.734375 MB of memory in use. ENERGY: 762200 746.8664 2082.0219 1925.7553 110.4225 -206499.2871 18096.4162 0.0000 0.0000 34222.8452 -149314.9597 298.8766 -183537.8049 -149221.4812 299.6275 157.2490 187.3852 556426.4280 5.7995 5.6610 PRESSURE: 762400 -51.0434 -119.314 195.591 -119.315 11.9593 65.6678 195.591 65.6682 -232.448 GPRESSURE: 762400 -70.2426 -146.274 271.168 -113.021 43.8771 73.9788 162.863 25.3835 -132.088 PRESSAVG: 762400 29.6008 37.382 -6.17721 37.3821 43.4714 8.54954 -6.17722 8.54964 -74.3093 GPRESSAVG: 762400 29.6048 38.1999 -7.44135 35.8018 43.1657 8.33626 -4.47323 7.33136 -73.4914 TIMING: 762400 CPU: 2289.75, 0.00299178/step Wall: 2289.75, 0.00299178/step, 3.52166 hours remaining, 208.734375 MB of memory in use. ENERGY: 762400 737.1742 2084.4386 1914.7346 111.6372 -206469.6660 17853.8835 0.0000 0.0000 34384.0641 -149383.7338 300.2846 -183767.7979 -149286.1877 299.6077 -90.5106 -52.8180 557244.1423 -0.4124 -0.2403 PRESSURE: 762600 174.911 22.5768 -0.241167 22.5773 72.5417 -31.3666 -0.24154 -31.368 90.4812 GPRESSURE: 762600 155.984 35.6544 -27.5816 -98.0399 70.4577 -5.56939 19.1803 14.1799 200.373 PRESSAVG: 762600 36.3263 20.0306 67.3159 20.0306 2.68538 -2.69173 67.3158 -2.69177 -13.7228 GPRESSAVG: 762600 36.588 18.1599 68.7042 20.1656 2.25805 -2.27842 67.7138 -0.792161 -14.077 TIMING: 762600 CPU: 2290.35, 0.00298682/step Wall: 2290.35, 0.00298682/step, 3.51566 hours remaining, 208.734375 MB of memory in use. ENERGY: 762600 766.1934 2079.1418 1905.2560 116.7581 -206200.3429 17885.1046 0.0000 0.0000 34234.2636 -149213.6255 298.9763 -183447.8891 -149115.0348 299.3758 112.6448 142.2716 556567.4867 8.4296 8.2563 PRESSURE: 762800 -235.154 136.53 -69.2088 136.533 -271.562 -54.5476 -69.209 -54.548 -113.069 GPRESSURE: 762800 -182.814 109.78 -130.854 171.476 -192.13 37.6002 -40.798 -15.5112 -146.843 PRESSAVG: 762800 28.5594 27.7398 28.8997 27.7398 17.1733 -40.0642 28.8998 -40.0642 -18.6201 GPRESSAVG: 762800 28.6846 29.3567 27.7014 28.8821 18.6056 -38.3407 29.1643 -42.1645 -19.7573 TIMING: 762800 CPU: 2290.94, 0.00295937/step Wall: 2290.94, 0.00295937/step, 3.48318 hours remaining, 208.734375 MB of memory in use. ENERGY: 762800 762.0954 2073.6641 1930.4443 111.9127 -205830.4095 17565.7684 0.0000 0.0000 34202.6267 -149183.8979 298.7000 -183386.5246 -149083.0535 299.5224 -206.5950 -173.9290 557484.0584 9.0375 9.1776 PRESSURE: 763000 156.325 -104.644 -10.6117 -104.643 -44.1144 79.238 -10.6121 79.238 128.873 GPRESSURE: 763000 172.475 -127.837 -48.759 -105.477 -18.9958 59.135 26.4295 179.089 187.026 PRESSAVG: 763000 17.9589 1.35223 14.7682 1.35217 4.51633 -41.0867 14.7683 -41.0867 -2.92155 GPRESSAVG: 763000 18.7095 -1.08657 17.5455 3.54582 3.39661 -41.7645 11.7732 -39.5965 -2.0065 TIMING: 763000 CPU: 2291.54, 0.00297569/step Wall: 2291.54, 0.00297569/step, 3.50222 hours remaining, 208.734375 MB of memory in use. ENERGY: 763000 780.7909 2058.3031 1909.8184 122.1772 -206414.3499 18100.4646 0.0000 0.0000 34271.7809 -149171.0148 299.3040 -183442.7957 -149072.9855 299.4233 80.3613 113.5016 558208.7744 6.5179 6.6999 PRESSURE: 763200 133.944 -167.32 137.593 -167.321 -105.836 119.375 137.594 119.376 -21.9116 GPRESSURE: 763200 170.887 -166.561 144.919 -85.4889 -39.3913 152.467 140.672 193.023 -24.8224 PRESSAVG: 763200 19.7053 -51.7071 -11.7323 -51.7071 -13.5501 -8.9977 -11.7323 -8.99766 -34.214 GPRESSAVG: 763200 18.2693 -51.313 -11.4147 -53.7044 -12.5951 -11.199 -11.2974 -7.81221 -34.0276 TIMING: 763200 CPU: 2292.13, 0.00298048/step Wall: 2292.13, 0.00298048/step, 3.50769 hours remaining, 208.734375 MB of memory in use. ENERGY: 763200 749.1797 2090.1389 1944.0416 101.4486 -206032.8756 17883.4564 0.0000 0.0000 34329.9069 -148934.7035 299.8116 -183264.6104 -148833.3767 298.8094 2.0652 35.5578 558614.5181 -9.3529 -9.4511 PRESSURE: 763400 -95.0728 34.7623 -30.4779 34.7626 81.3582 -6.79937 -30.478 -6.80012 -95.9598 GPRESSURE: 763400 -34.3324 75.9917 -32.074 -22.2452 92.1729 15.0085 -37.2165 -18.7579 -72.4813 PRESSAVG: 763400 80.7211 2.02946 49.3601 2.02949 -23.9663 36.1404 49.3602 36.1404 21.9014 GPRESSAVG: 763400 80.4674 2.74965 48.4102 2.15685 -23.6609 38.7765 51.7893 34.6331 21.5029 TIMING: 763400 CPU: 2292.73, 0.0029833/step Wall: 2292.73, 0.0029833/step, 3.51085 hours remaining, 208.734375 MB of memory in use. ENERGY: 763400 738.3799 2096.3117 1959.6814 108.6343 -206034.5375 17800.5691 0.0000 0.0000 34400.3207 -148930.6406 300.4266 -183330.9612 -148836.5310 300.3486 -36.5582 -4.8803 558528.1602 26.2187 26.1031 PRESSURE: 763600 37.5133 -126.742 56.2052 -126.741 24.0307 -92.8464 56.2054 -92.8464 164.328 GPRESSURE: 763600 103.612 -145.987 176.123 -188.961 28.5624 -84.9242 32.1452 -84.0685 193.621 PRESSAVG: 763600 -10.0637 -32.3238 -14.5183 -32.3238 -33.0097 18.7819 -14.5182 18.7819 26.5902 GPRESSAVG: 763600 -9.34701 -31.9138 -16.7354 -33.6037 -34.3082 15.9718 -13.9813 20.1647 27.3901 TIMING: 763600 CPU: 2293.32, 0.00295376/step Wall: 2293.32, 0.00295376/step, 3.47592 hours remaining, 208.734375 MB of memory in use. ENERGY: 763600 763.3922 2067.0734 1917.0882 110.7576 -206500.2343 18082.3121 0.0000 0.0000 34578.0094 -148981.6015 301.9784 -183559.6109 -148879.6442 299.7814 75.2908 108.5985 557600.3930 -5.4944 -5.4217 PRESSURE: 763800 12.535 50.3884 46.395 50.3888 -237.702 -9.02989 46.3963 -9.02918 80.7487 GPRESSURE: 763800 25.694 19.3879 21.5588 95.6835 -155.224 -23.4646 43.3486 11.8963 81.9021 PRESSAVG: 763800 -3.62589 -47.3011 -11.4915 -47.3011 -11.9078 -27.4166 -11.4917 -27.4165 15.6367 GPRESSAVG: 763800 -3.01046 -47.5486 -8.10137 -47.6239 -11.1037 -27.5018 -13.507 -28.6101 14.1 TIMING: 763800 CPU: 2293.92, 0.00298778/step Wall: 2293.92, 0.00298778/step, 3.51578 hours remaining, 208.734375 MB of memory in use. ENERGY: 763800 736.7758 2044.6287 1930.7432 119.9307 -205719.5127 17609.0644 0.0000 0.0000 34352.7160 -148925.6537 300.0108 -183278.3697 -148829.9988 299.9383 -48.1396 -15.8759 556941.2782 0.0343 -0.0047 PRESSURE: 764000 -46.7606 58.0599 23.7346 58.062 -227.223 -58.2154 23.7342 -58.2149 -37.0299 GPRESSURE: 764000 -52.9888 19.6044 41.4953 -140.027 -186.125 -121.256 58.3181 -81.9503 25.471 PRESSAVG: 764000 17.3702 40.8518 -4.53071 40.8517 -10.7486 35.0436 -4.53075 35.0436 29.9542 GPRESSAVG: 764000 16.3159 43.6423 -6.24512 39.9953 -10.2815 34.5746 -2.55934 35.1623 31.3997 TIMING: 764000 CPU: 2294.52, 0.00301584/step Wall: 2294.52, 0.00301584/step, 3.54863 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: 764000 752.3690 2093.0394 1916.4207 120.9625 -205873.4984 17550.6009 0.0000 0.0000 34395.4865 -149044.6193 300.3843 -183440.1059 -148947.2082 299.3812 -103.6713 -71.2141 556836.7797 12.1919 12.4780 PRESSURE: 764200 65.0439 -23.6395 71.7443 -23.6401 349.132 40.5821 71.7438 40.5812 219.301 GPRESSURE: 764200 95.8071 -108.528 64.5044 -31.8412 405.104 77.4633 -49.0887 47.1776 220.92 PRESSAVG: 764200 29.3214 0.100187 -21.2191 0.100209 17.4126 -0.596526 -21.2192 -0.59646 -67.5497 GPRESSAVG: 764200 29.8656 -3.75848 -20.1353 3.54909 17.334 1.7353 -22.6157 0.329817 -68.524 TIMING: 764200 CPU: 2295.13, 0.00305787/step Wall: 2295.13, 0.00305787/step, 3.59793 hours remaining, 208.734375 MB of memory in use. ENERGY: 764200 753.8509 2085.1312 1924.0694 100.5825 -206359.1578 18083.3038 0.0000 0.0000 34310.5074 -149101.7127 299.6422 -183412.2201 -149006.0480 299.6346 211.1587 240.6105 557853.3855 -6.9386 -7.1081 LDB: ============= START OF LOAD BALANCING ============== 2298.66 LDB: ============== END OF LOAD BALANCING =============== 2298.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2298.66 LDB: ============= START OF LOAD BALANCING ============== 2298.96 LDB: Largest compute 4773 load 0.026674 is 22.6% of average load 0.117869 LDB: Average compute 0.001728 is 1.5% of average load 0.117869 LDB: TIME 2298.97 LOAD: AVG 0.117869 MAX 0.213237 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.73 MB LDB: TIME 2298.97 LOAD: AVG 0.117869 MAX 0.213237 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.801 MB LDB: TIME 2298.97 LOAD: AVG 0.117869 MAX 0.213237 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.801 MB LDB: ============== END OF LOAD BALANCING =============== 2298.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2298.97 PRESSURE: 764400 101.598 255.494 40.3384 255.493 237.905 104.206 40.3386 104.206 220.552 GPRESSURE: 764400 160.549 240.225 -21.5025 173.538 234.932 112.52 79.3809 58.4794 264.255 PRESSAVG: 764400 -20.7861 34.7732 -36.8418 34.7732 43.9281 4.68964 -36.8418 4.68967 -12.8167 GPRESSAVG: 764400 -21.0074 35.0433 -38.3271 32.3465 43.3765 3.75848 -36.4071 4.08678 -11.7163 TIMING: 764400 CPU: 2295.76, 0.00311635/step Wall: 2295.76, 0.00311635/step, 3.66655 hours remaining, 207.699219 MB of memory in use. ENERGY: 764400 740.9885 2077.2415 1923.1575 115.2753 -206702.2972 18192.9528 0.0000 0.0000 34489.7629 -149162.9187 301.2077 -183652.6815 -149068.8396 299.3970 186.6849 219.9119 556740.1604 3.4418 3.5509 PRESSURE: 764600 -155.309 81.3714 60.5271 81.3726 14.9616 133.811 60.5268 133.812 -6.45301 GPRESSURE: 764600 -141.351 201.774 74.3177 89.7324 -16.2308 112.075 78.1499 112.446 96.7083 PRESSAVG: 764600 -39.5734 22.5851 -29.7235 22.5851 -33.611 54.0923 -29.7235 54.0923 67.8186 GPRESSAVG: 764600 -39.6275 24.6446 -27.772 23.2081 -33.9363 56.3809 -31.4762 52.0889 68.3981 TIMING: 764600 CPU: 2296.37, 0.0030637/step Wall: 2296.37, 0.0030637/step, 3.60445 hours remaining, 207.902344 MB of memory in use. ENERGY: 764600 750.4868 2169.6283 1937.7220 107.5596 -205888.6328 17644.4860 0.0000 0.0000 34402.5130 -148876.2371 300.4457 -183278.7501 -148779.9428 300.3125 -48.9334 -20.2912 556363.6364 -1.7886 -1.7219 PRESSURE: 764800 -51.3151 -226.47 2.75841 -226.47 -99.4856 42.7681 2.75711 42.7685 -181.162 GPRESSURE: 764800 -53.1866 -295.657 -43.0759 -181.521 -83.8215 -23.2247 -61.8218 5.93369 -107.832 PRESSAVG: 764800 13.9265 -21.8989 -17.5806 -21.8989 -86.5117 -14.5195 -17.5807 -14.5197 80.9459 GPRESSAVG: 764800 14.0597 -23.0775 -18.2432 -21.4092 -86.287 -14.2497 -18.3028 -14.1252 80.9064 TIMING: 764800 CPU: 2296.99, 0.00309256/step Wall: 2296.99, 0.00309256/step, 3.63823 hours remaining, 207.902344 MB of memory in use. ENERGY: 764800 764.1861 2204.3853 1914.6581 110.6374 -205925.9289 17693.6360 0.0000 0.0000 34291.8368 -148946.5891 299.4791 -183238.4259 -148851.4862 300.6747 -110.6544 -81.6134 555613.2544 2.7869 2.8930 PRESSURE: 765000 -165.507 6.37353 51.7753 6.37206 -187.942 35.5863 51.7765 35.5862 -112.277 GPRESSURE: 765000 -118.496 125.286 56.7976 -53.4046 -180.786 -121.309 -48.0925 155.468 -66.7069 PRESSAVG: 765000 -11.0123 11.0947 3.56802 11.0947 -25.8645 5.53846 3.56809 5.5385 26.0629 GPRESSAVG: 765000 -10.7635 11.5051 1.73883 10.9799 -24.9385 2.30281 5.05616 7.40919 24.7654 TIMING: 765000 CPU: 2297.61, 0.00311109/step Wall: 2297.61, 0.00311109/step, 3.65985 hours remaining, 207.902344 MB of memory in use. ENERGY: 765000 748.9535 2128.3950 1936.7270 114.8099 -205825.1510 17552.0710 0.0000 0.0000 34380.9057 -148963.2888 300.2570 -183344.1945 -148864.1239 300.6709 -155.2423 -121.9964 555673.0364 -3.6046 -3.6456 PRESSURE: 765200 71.9729 59.0724 -156.091 59.0732 -212.297 -153.125 -156.091 -153.127 115.955 GPRESSURE: 765200 26.9377 25.6662 -150.62 -9.14038 -98.9039 -174.286 -140.572 -134.489 144.889 PRESSAVG: 765200 16.1035 25.9181 -32.8474 25.9181 -23.6909 -21.4376 -32.8474 -21.4375 -6.5905 GPRESSAVG: 765200 15.0254 27.062 -32.4234 24.4632 -23.7672 -20.3618 -32.1393 -21.278 -5.44624 TIMING: 765200 CPU: 2298.22, 0.00307453/step Wall: 2298.22, 0.00307453/step, 3.61668 hours remaining, 207.902344 MB of memory in use. ENERGY: 765200 726.7452 2121.0662 1909.4812 110.6745 -205920.2405 17806.1522 0.0000 0.0000 34151.9634 -149094.1578 298.2576 -183246.1211 -148994.3331 299.4802 -8.1229 24.3077 557588.7437 -4.7260 -4.7293 PRESSURE: 765400 -66.2927 105.197 83.4555 105.197 20.6033 -90.4475 83.4562 -90.4488 -65.5374 GPRESSURE: 765400 16.995 75.8962 2.77183 71.8931 16.8222 -104.947 119.072 -75.8824 -41.1327 PRESSAVG: 765400 30.919 -26.3662 35.7172 -26.3662 49.5198 -24.6059 35.7173 -24.606 -30.3479 GPRESSAVG: 765400 31.8122 -27.9109 37.7439 -23.9807 49.7336 -25.7001 34.5466 -25.8395 -31.0266 TIMING: 765400 CPU: 2298.83, 0.00303636/step Wall: 2298.83, 0.00303636/step, 3.57161 hours remaining, 207.902344 MB of memory in use. ENERGY: 765400 742.5212 2101.2518 1938.8351 104.5641 -205667.0448 17608.3468 0.0000 0.0000 34172.9409 -148998.5848 298.4408 -183171.5258 -148909.9169 299.3794 -37.0756 -2.4385 556819.3499 16.6969 16.8397 PRESSURE: 765600 120.939 27.955 -17.9755 27.9548 230.996 18.479 -17.976 18.4788 114.525 GPRESSURE: 765600 152.831 -66.2469 -19.0528 98.5891 275.547 180.43 -9.24751 -125.821 115.038 PRESSAVG: 765600 13.8149 37.1134 -3.69379 37.1134 17.7445 33.4415 -3.69388 33.4414 -66.3478 GPRESSAVG: 765600 13.6991 36.8459 -4.26867 36.5062 17.6995 34.747 -3.51604 33.8362 -66.7808 TIMING: 765600 CPU: 2299.43, 0.00299944/step Wall: 2299.43, 0.00299944/step, 3.52801 hours remaining, 207.902344 MB of memory in use. ENERGY: 765600 770.0177 2100.4185 1932.5963 113.5370 -206370.6572 18058.6124 0.0000 0.0000 34427.3175 -148968.1578 300.6623 -183395.4753 -148865.1042 299.9445 155.4868 181.1389 557366.8529 -11.5961 -11.7941 PRESSURE: 765800 -62.399 52.815 158.434 52.8151 -3.05768 -48.5358 158.434 -48.5355 -89.6904 GPRESSURE: 765800 0.845287 20.0218 77.0969 -1.04325 18.2399 -62.9553 182.846 -92.9902 -85.8483 PRESSAVG: 765800 -8.04854 -4.89624 6.75418 -4.89624 43.513 -46.4468 6.7541 -46.4467 -6.97851 GPRESSAVG: 765800 -7.73237 -3.49759 8.27686 -5.52365 43.4357 -47.3156 6.63827 -47.9895 -7.94273 TIMING: 765800 CPU: 2300.04, 0.00305484/step Wall: 2300.04, 0.00305484/step, 3.593 hours remaining, 207.902344 MB of memory in use. ENERGY: 765800 735.0255 2084.4889 1939.0814 116.3123 -205888.6885 17608.5840 0.0000 0.0000 34465.6044 -148939.5920 300.9967 -183405.1963 -148840.4196 300.3283 -51.7157 -22.2544 557828.2273 9.4953 9.2535 PRESSURE: 766000 -84.6769 20.4885 91.8001 20.4889 140.647 -23.2767 91.7994 -23.2779 -31.9352 GPRESSURE: 766000 -60.4068 -110.438 35.5857 101.586 197.159 -29.2891 121.669 -22.2143 -12.3567 PRESSAVG: 766000 -9.03163 -16.0964 35.5311 -16.0963 -21.604 36.8821 35.5312 36.8821 23.7094 GPRESSAVG: 766000 -7.84793 -18.1399 33.8925 -15.7195 -22.2644 38.9792 36.6232 37.8692 23.1019 TIMING: 766000 CPU: 2300.65, 0.00303003/step Wall: 2300.65, 0.00303003/step, 3.56365 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: 766000 781.6605 2079.4204 1932.0379 138.7230 -206259.0077 17913.5571 0.0000 0.0000 34390.0130 -149023.5959 300.3365 -183413.6089 -148928.7542 299.8442 8.0116 41.4653 556408.2145 -2.3087 -2.3368 PRESSURE: 766200 -15.9338 -40.2084 -4.21335 -40.208 13.8094 1.81406 -4.21399 1.81532 -111.667 GPRESSURE: 766200 -15.2644 -49.7573 12.4736 7.52978 92.4155 -60.5615 53.8601 81.9678 -73.8585 PRESSAVG: 766200 -38.915 -14.4639 39.3347 -14.4639 5.17534 87.6952 39.3347 87.6952 17.3931 GPRESSAVG: 766200 -40.2266 -14.7129 39.0377 -12.8495 5.84414 85.9459 39.2774 88.185 18.3481 TIMING: 766200 CPU: 2301.26, 0.00304547/step Wall: 2301.26, 0.00304547/step, 3.58165 hours remaining, 207.902344 MB of memory in use. ENERGY: 766200 786.7905 2035.1821 1907.2606 116.4789 -206189.3673 17752.5996 0.0000 0.0000 34462.8417 -149128.2138 300.9726 -183591.0555 -149031.1951 300.4111 -37.9304 1.0975 557001.1696 -5.4488 -5.3448 PRESSURE: 766400 301.729 -53.0831 -10.5727 -53.0832 208.445 18.4354 -10.5727 18.4359 105.678 GPRESSURE: 766400 335.89 -47.3419 2.47323 -62.2827 257.758 91.6737 -0.741829 -43.6925 121.181 PRESSAVG: 766400 -16.1814 -30.9197 36.2545 -30.9197 0.723842 34.6354 36.2545 34.6356 7.34321 GPRESSAVG: 766400 -17.413 -29.2332 37.2663 -30.6942 1.8512 35.4538 33.0467 34.3677 7.91263 TIMING: 766400 CPU: 2301.87, 0.00304686/step Wall: 2301.87, 0.00304686/step, 3.58311 hours remaining, 207.902344 MB of memory in use. ENERGY: 766400 746.5150 2084.7504 1909.9409 114.2927 -206624.1513 18159.2528 0.0000 0.0000 34371.7747 -149237.6248 300.1773 -183609.3995 -149144.3425 298.9151 205.2842 238.2761 556127.1988 -2.7048 -2.5497 PRESSURE: 766600 -142.121 1.00343 74.8336 1.00323 18.7814 -151.061 74.8343 -151.062 36.1362 GPRESSURE: 766600 -121.752 -28.9714 65.4674 70.2767 26.3495 -85.3902 56.753 -160.826 115.89 PRESSAVG: 766600 26.6719 0.980841 40.8812 0.980851 -14.0431 39.6026 40.8812 39.6026 18.6722 GPRESSAVG: 766600 27.4537 0.167299 38.833 -1.52052 -14.4252 40.3304 43.9698 39.4258 18.237 TIMING: 766600 CPU: 2302.47, 0.00302902/step Wall: 2302.47, 0.00302902/step, 3.56196 hours remaining, 207.902344 MB of memory in use. ENERGY: 766600 768.6496 2165.7863 1909.4594 102.2327 -206205.8793 17725.3334 0.0000 0.0000 34203.4573 -149330.9607 298.7073 -183534.4180 -149244.5557 298.9732 -29.0676 6.8290 556814.4504 10.4336 10.4218 PRESSURE: 766800 -266.671 3.12418 12.1019 3.12308 -151.542 -139.886 12.1018 -139.886 -44.6435 GPRESSURE: 766800 -157.171 73.8332 48.8495 -5.13276 -129.36 -95.2803 10.304 -195.835 -82.9165 PRESSAVG: 766800 -27.2622 6.11377 -10.8048 6.11388 -6.48337 -46.6069 -10.8048 -46.6069 6.99051 GPRESSAVG: 766800 -26.2206 9.0116 -8.50829 4.93144 -7.68649 -45.8827 -11.107 -47.0038 7.20267 TIMING: 766800 CPU: 2303.08, 0.00302874/step Wall: 2303.08, 0.00302874/step, 3.56146 hours remaining, 207.902344 MB of memory in use. ENERGY: 766800 784.0026 2128.5258 1918.7004 114.9025 -205902.0498 17673.6545 0.0000 0.0000 34020.4729 -149261.7910 297.1093 -183282.2640 -149168.9602 298.6228 -154.2853 -123.1492 557962.2783 -8.9183 -8.9015 PRESSURE: 767000 -56.9729 -57.473 74.1458 -57.4736 -156.85 -107.199 74.1464 -107.198 -72.75 GPRESSURE: 767000 -39.2205 -60.544 78.1067 -111.563 -128.233 -132.057 39.0928 -88.5661 -14.3526 PRESSAVG: 767000 -3.67666 41.3924 34.9809 41.3925 -24.8032 24.524 34.9809 24.5239 53.0715 GPRESSAVG: 767000 -4.58163 40.3976 34.4179 41.7568 -23.8926 21.7526 35.8293 26.5084 52.802 TIMING: 767000 CPU: 2303.68, 0.00302735/step Wall: 2303.68, 0.00302735/step, 3.55965 hours remaining, 207.902344 MB of memory in use. ENERGY: 767000 745.5179 2075.8244 1934.2240 94.9921 -206298.7034 17779.6635 0.0000 0.0000 34324.7691 -149343.7124 299.7667 -183668.4815 -149250.9120 299.3775 -95.5244 -60.6019 557366.4355 8.1972 8.1092 PRESSURE: 767200 225.177 -139.875 -21.1664 -139.874 -114.113 87.1852 -21.1671 87.1835 -101.547 GPRESSURE: 767200 271.798 -91.6516 -37.2097 -103.212 -69.1049 43.1912 -19.6889 202.764 -95.1896 PRESSAVG: 767200 -7.86766 -9.65368 -26.82 -9.65357 -35.092 -20.3645 -26.82 -20.3646 -17.703 GPRESSAVG: 767200 -8.3456 -9.40301 -27.7299 -9.64669 -35.3449 -17.9414 -26.9235 -21.752 -17.1428 TIMING: 767200 CPU: 2304.28, 0.00299932/step Wall: 2304.28, 0.00299932/step, 3.52654 hours remaining, 207.902344 MB of memory in use. ENERGY: 767200 752.0172 2110.4117 1922.7468 115.5303 -206242.1979 17876.0852 0.0000 0.0000 34148.7365 -149316.6702 298.2294 -183465.4067 -149220.8001 299.3137 3.1726 35.8344 556317.1362 -20.2209 -20.2778 PRESSURE: 767400 -344.647 -18.5793 -37.4926 -18.5794 69.4146 30.4288 -37.4939 30.4275 131.161 GPRESSURE: 767400 -323.619 -70.0778 -73.9714 -83.9888 108.454 40.5423 32.5058 25.6913 165.953 PRESSAVG: 767400 -44.4252 -33.9016 -16.8991 -33.9017 -0.560218 9.60037 -16.8991 9.60035 9.63851 GPRESSAVG: 767400 -44.5826 -35.0892 -17.3148 -31.7727 -0.901225 8.30703 -16.667 9.82251 9.8617 TIMING: 767400 CPU: 2304.88, 0.00296602/step Wall: 2304.88, 0.00296602/step, 3.48722 hours remaining, 207.902344 MB of memory in use. ENERGY: 767400 776.5298 2109.6944 1922.1321 104.4889 -206098.5414 17797.2421 0.0000 0.0000 34145.1347 -149243.3194 298.1980 -183388.4541 -149155.5570 298.6919 -48.0238 -16.4040 557769.1420 -11.7823 -11.8740 PRESSURE: 767600 -208.803 152.562 59.8582 152.563 -230.012 -79.201 59.8573 -79.2034 42.5711 GPRESSURE: 767600 -211.136 144.903 51.7546 180.469 -209.597 -65.9812 -7.38337 -106.17 130.853 PRESSAVG: 767600 -45.9338 16.3761 -18.1414 16.376 -22.0437 25.8957 -18.1415 25.8955 69.596 GPRESSAVG: 767600 -45.0945 15.1255 -16.4336 16.3145 -22.3593 27.1774 -18.2478 24.6935 69.0818 TIMING: 767600 CPU: 2305.47, 0.00297429/step Wall: 2305.47, 0.00297429/step, 3.49678 hours remaining, 207.902344 MB of memory in use. ENERGY: 767600 772.4741 2118.6711 1906.0032 122.3872 -206129.9538 17727.0168 0.0000 0.0000 34105.6058 -149377.7956 297.8527 -183483.4015 -149279.4447 299.1812 -132.0813 -96.6265 558487.4433 0.5395 0.5427 PRESSURE: 767800 -194.461 -73.7514 -117.065 -73.7514 -304.017 84.0377 -117.067 84.0389 43.985 GPRESSURE: 767800 -136.161 -46.6039 -37.6243 -64.1784 -257.895 153.992 -186.371 53.4711 46.6933 PRESSAVG: 767800 -56.9467 72.1157 -6.10491 72.1157 -74.3888 82.9851 -6.10491 82.985 87.0957 GPRESSAVG: 767800 -56.3905 72.4437 -7.07918 74.3673 -75.2024 80.9706 -4.78637 84.0568 87.8912 TIMING: 767800 CPU: 2306.07, 0.00296874/step Wall: 2306.07, 0.00296874/step, 3.49009 hours remaining, 207.902344 MB of memory in use. ENERGY: 767800 698.6431 2069.4331 1935.1803 93.6556 -205852.3430 17521.0816 0.0000 0.0000 34223.5164 -149310.8328 298.8825 -183534.3492 -149217.3464 298.0499 -151.4976 -115.7874 558074.8369 -14.7466 -14.5672 PRESSURE: 768000 58.623 -14.6872 89.0016 -14.6876 -77.6863 9.4186 89.0021 9.41785 221.759 GPRESSURE: 768000 69.6111 12.7915 105.544 5.31801 5.63967 -128.331 110.532 145.889 232.284 PRESSAVG: 768000 54.9745 -15.7912 -10.033 -15.7911 -73.3477 19.6446 -10.033 19.6445 41.7335 GPRESSAVG: 768000 54.207 -14.4339 -9.17855 -17.5666 -71.4178 18.7355 -12.6636 19.4859 41.6118 TIMING: 768000 CPU: 2306.67, 0.00299964/step Wall: 2306.67, 0.00299964/step, 3.52624 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: 768000 735.4718 2079.1564 1924.0578 102.6273 -206300.8696 17846.5217 0.0000 0.0000 34239.6561 -149373.3786 299.0234 -183613.0347 -149273.9433 298.8001 67.5651 102.5116 557069.3479 7.7868 8.1337 PRESSURE: 768200 -137.616 -68.7636 -80.6246 -68.7639 -27.6512 -99.4222 -80.6245 -99.4232 -99.8675 GPRESSURE: 768200 -71.096 -106.592 -177.659 -100.577 -35.6226 -72.9963 -9.52986 -142.41 -74.6652 PRESSAVG: 768200 34.1188 -9.97282 -3.56228 -9.97283 -36.9465 -40.447 -3.56224 -40.4469 -5.03392 GPRESSAVG: 768200 34.1227 -9.32071 -3.75624 -11.2185 -36.4055 -37.8346 -3.51401 -42.1807 -5.6187 TIMING: 768200 CPU: 2307.26, 0.00299652/step Wall: 2307.26, 0.00299652/step, 3.52241 hours remaining, 207.902344 MB of memory in use. ENERGY: 768200 750.6717 2062.9021 1934.6479 125.7201 -206189.4398 17562.9356 0.0000 0.0000 34289.2159 -149463.3465 299.4563 -183752.5624 -149363.6287 298.6326 -88.3784 -60.4613 556489.2026 -2.6205 -2.6339 LDB: ============= START OF LOAD BALANCING ============== 2310.78 LDB: ============== END OF LOAD BALANCING =============== 2310.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2310.78 LDB: ============= START OF LOAD BALANCING ============== 2311.08 LDB: Largest compute 4773 load 0.025748 is 21.8% of average load 0.117882 LDB: Average compute 0.001727 is 1.5% of average load 0.117882 LDB: TIME 2311.08 LOAD: AVG 0.117882 MAX 0.210541 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.832 MB LDB: TIME 2311.08 LOAD: AVG 0.117882 MAX 0.210541 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.836 MB LDB: TIME 2311.08 LOAD: AVG 0.117882 MAX 0.210541 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.836 MB LDB: ============== END OF LOAD BALANCING =============== 2311.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2311.09 PRESSURE: 768400 120.31 -191.444 -179.571 -191.443 20.5298 -156.445 -179.571 -156.446 59.2647 GPRESSURE: 768400 152.255 -206.095 -149.522 -178.209 149.411 -135.134 -145.655 -138.847 8.70993 PRESSAVG: 768400 -44.8904 -4.22974 -40.1066 -4.22974 -3.92002 -30.8111 -40.1067 -30.811 42.8626 GPRESSAVG: 768400 -44.5955 -3.96824 -39.2476 -2.64818 -4.28569 -30.9828 -39.964 -27.7078 42.5822 TIMING: 768400 CPU: 2307.87, 0.00304944/step Wall: 2307.87, 0.00304944/step, 3.58444 hours remaining, 209.250000 MB of memory in use. ENERGY: 768400 731.2455 2081.4813 1933.7630 116.4456 -206737.9312 18026.6064 0.0000 0.0000 34247.3096 -149601.0797 299.0903 -183848.3894 -149499.6124 298.3458 66.7014 103.4585 557912.3002 -1.9826 -2.0997 PRESSURE: 768600 92.5466 -88.4771 150.851 -88.4754 317.571 -31.9902 150.852 -31.9897 212.82 GPRESSURE: 768600 166.91 -121.349 63.3102 -131.84 297.927 -68.8762 194.659 72.4521 259.141 PRESSAVG: 768600 -40.3533 -21.2991 -6.63593 -21.2991 26.7214 -75.3411 -6.63583 -75.3412 6.4357 GPRESSAVG: 768600 -40.1782 -23.0728 -7.8987 -20.2477 26.3953 -73.8483 -6.66095 -76.9844 6.38485 TIMING: 768600 CPU: 2308.47, 0.0029967/step Wall: 2308.47, 0.0029967/step, 3.52229 hours remaining, 209.250000 MB of memory in use. ENERGY: 768600 736.8790 2096.2178 1922.4486 118.8458 -206612.9356 18129.0202 0.0000 0.0000 34081.1217 -149528.4024 297.6389 -183609.5242 -149428.6298 297.5541 207.6460 241.3264 556663.3681 -2.3988 -2.4660 PRESSURE: 768800 63.3684 10.7273 -104.783 10.7286 31.0837 87.5789 -104.782 87.5788 118.661 GPRESSURE: 768800 70.8356 45.9336 -84.0375 -10.7399 74.1077 89.8524 -164.769 57.7402 164.245 PRESSAVG: 768800 2.57344 36.4307 48.8637 36.4307 39.5761 -8.26153 48.8637 -8.2615 6.86415 GPRESSAVG: 768800 1.34846 37.7581 49.4773 35.3376 40.422 -11.0271 50.0206 -5.77194 7.55956 TIMING: 768800 CPU: 2309.07, 0.00298187/step Wall: 2309.07, 0.00298187/step, 3.50469 hours remaining, 209.250000 MB of memory in use. ENERGY: 768800 755.4248 2024.0112 1909.7353 112.3318 -206123.5452 17868.9022 0.0000 0.0000 33992.9177 -149460.2222 296.8686 -183453.1399 -149355.5935 297.6582 71.0376 103.0629 556758.9517 16.3379 16.4433 PRESSURE: 769000 92.6631 -175.57 -73.5115 -175.57 20.8511 35.9544 -73.5118 35.954 154.565 GPRESSURE: 769000 90.7213 -194.776 -132.805 -165.456 80.6834 9.76678 -22.3244 16.4132 188.894 PRESSAVG: 769000 28.4665 -23.9244 -7.46718 -23.9243 8.66115 17.2726 -7.4672 17.2726 -11.6623 GPRESSAVG: 769000 29.5058 -25.1903 -7.26085 -24.4041 8.13098 16.5364 -7.88284 17.021 -11.7363 TIMING: 769000 CPU: 2309.67, 0.00299709/step Wall: 2309.67, 0.00299709/step, 3.52242 hours remaining, 209.250000 MB of memory in use. ENERGY: 769000 777.5963 2084.9623 1894.9817 107.0751 -206412.9924 17958.9317 0.0000 0.0000 34137.9808 -149451.4645 298.1355 -183589.4453 -149360.7502 298.7037 89.3598 120.0996 555134.7574 8.4884 8.6335 PRESSURE: 769200 -137.714 -69.8681 67.5035 -69.8684 -230.916 162.917 67.503 162.918 224.606 GPRESSURE: 769200 -23.0543 -78.6687 69.4426 -136.969 -210.838 164.151 40.5608 224.141 192.675 PRESSAVG: 769200 -47.1543 -39.3345 -2.16885 -39.3345 -15.0865 35.8508 -2.16885 35.8508 65.2702 GPRESSAVG: 769200 -46.8585 -38.7696 -2.61051 -41.035 -15.9142 37.944 -3.27613 34.3298 65.169 TIMING: 769200 CPU: 2310.27, 0.00301965/step Wall: 2310.27, 0.00301965/step, 3.54876 hours remaining, 209.250000 MB of memory in use. ENERGY: 769200 751.6645 2080.2725 1935.8752 112.9480 -205952.6948 17769.9534 0.0000 0.0000 34019.4198 -149282.5614 297.1001 -183301.9812 -149190.0951 298.7558 -48.0079 -13.7390 556550.6645 1.0098 0.7988 PRESSURE: 769400 -32.3567 12.5954 -27.622 12.5945 62.6716 31.5996 -27.6214 31.5992 -13.4268 GPRESSURE: 769400 -24.0281 107.116 12.2951 -57.2199 142.542 23.26 -61.0912 38.2292 1.05135 PRESSAVG: 769400 -48.4861 9.82811 64.7413 9.82811 -24.7603 55.5396 64.7413 55.5397 56.9196 GPRESSAVG: 769400 -48.8727 10.4512 63.9157 12.5501 -24.6482 54.6961 65.1512 55.2772 57.3442 TIMING: 769400 CPU: 2310.89, 0.00307696/step Wall: 2310.89, 0.00307696/step, 3.61594 hours remaining, 209.250000 MB of memory in use. ENERGY: 769400 756.0193 2141.1438 1929.8335 101.8789 -205934.6212 17732.0964 0.0000 0.0000 33991.4227 -149282.2266 296.8555 -183273.6493 -149182.7157 298.9684 5.6293 39.8552 557543.5222 -5.4423 -5.3922 PRESSURE: 769600 22.8637 45.7691 81.5963 45.7692 -273.627 2.17151 81.5964 2.17091 -96.5381 GPRESSURE: 769600 30.9833 149.418 128.238 75.6342 -161.33 2.36991 80.1542 15.2001 -121.26 PRESSAVG: 769600 34.0849 27.4646 -24.7393 27.4645 18.1694 71.765 -24.7393 71.7651 -18.1234 GPRESSAVG: 769600 33.0681 25.5675 -23.9199 26.6256 17.7469 72.5443 -23.2595 72.9274 -17.2284 TIMING: 769600 CPU: 2311.5, 0.0030601/step Wall: 2311.5, 0.0030601/step, 3.59596 hours remaining, 209.250000 MB of memory in use. ENERGY: 769600 712.8955 2101.8577 1935.3785 97.5509 -205940.3465 17572.4628 0.0000 0.0000 34248.1478 -149272.0532 299.0976 -183520.2010 -149182.8036 299.3144 -115.7671 -83.8688 556811.0789 11.3769 11.1956 PRESSURE: 769800 55.337 24.6765 41.3728 24.677 13.8382 -78.2192 41.3714 -78.2186 -57.9185 GPRESSURE: 769800 129.784 24.3879 56.5421 -22.4185 48.6067 17.3844 -57.4149 -99.8845 -63.8688 PRESSAVG: 769800 56.7924 66.583 13.644 66.583 -14.2125 28.0712 13.6439 28.0714 -64.407 GPRESSAVG: 769800 57.7451 67.3087 15.5854 67.0592 -14.5591 27.9594 11.3285 27.9926 -65.1832 TIMING: 769800 CPU: 2312.11, 0.0030234/step Wall: 2312.11, 0.0030234/step, 3.55266 hours remaining, 209.250000 MB of memory in use. ENERGY: 769800 713.8900 2070.5957 1954.7675 119.0911 -206150.0880 17694.7348 0.0000 0.0000 34182.5605 -149414.4483 298.5248 -183597.0088 -149311.8979 298.7364 3.7522 38.1739 556982.8453 -7.2757 -7.3324 PRESSURE: 770000 89.35 -61.0991 -66.5604 -61.0997 -33.2006 -37.8188 -66.5611 -37.8189 -4.03862 GPRESSURE: 770000 163.258 -32.6824 -39.9712 -102.588 -62.719 -110.565 -98.6318 -37.4979 41.5983 PRESSAVG: 770000 49.8946 -16.6319 8.73709 -16.6319 -19.7614 -7.05724 8.73711 -7.05723 -15.2801 GPRESSAVG: 770000 48.0914 -16.2834 7.90377 -17.4017 -20.5354 -7.80249 10.9865 -7.82791 -13.5832 TIMING: 770000 CPU: 2312.71, 0.00300064/step Wall: 2312.71, 0.00300064/step, 3.52575 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: 770000 765.1893 2081.6967 1939.1766 105.2784 -205938.3675 17618.6143 0.0000 0.0000 34157.0628 -149271.3495 298.3021 -183428.4123 -149178.6732 298.6685 17.3703 47.3790 556935.5480 4.9510 4.6576 PRESSURE: 770200 -58.2712 65.9648 -218.894 65.9649 68.1474 137.468 -218.895 137.469 -111.569 GPRESSURE: 770200 -67.2977 -9.68094 -183.319 91.2576 130.119 97.881 -215.491 81.0555 -62.215 PRESSAVG: 770200 -70.355 43.3847 -19.4453 43.3846 -21.7151 19.7869 -19.4452 19.7869 64.2435 GPRESSAVG: 770200 -70.3297 43.822 -19.9562 42.8375 -21.2631 20.7949 -19.2754 19.7207 63.7434 TIMING: 770200 CPU: 2313.31, 0.00300827/step Wall: 2313.31, 0.00300827/step, 3.53455 hours remaining, 209.250000 MB of memory in use. ENERGY: 770200 725.8267 2065.6011 1943.6152 121.6418 -206195.4557 17786.4208 0.0000 0.0000 34194.9061 -149357.4441 298.6326 -183552.3501 -149257.8932 298.6377 -33.8975 0.2023 558132.3484 -9.2755 -9.2831 PRESSURE: 770400 96.9944 75.3469 -144.236 75.3455 -71.1582 -88.829 -144.235 -88.829 -209.682 GPRESSURE: 770400 134.883 44.1369 -103.054 154.225 -23.1564 -128.451 -177.749 -13.0134 -204.809 PRESSAVG: 770400 15.5798 -5.65962 -42.2998 -5.65969 -13.0013 21.8244 -42.2997 21.8245 -22.2979 GPRESSAVG: 770400 16.2819 -7.6894 -42.6898 -5.40338 -12.4209 19.4318 -41.9684 23.7601 -23.1589 TIMING: 770400 CPU: 2313.9, 0.00297827/step Wall: 2313.9, 0.00297827/step, 3.49913 hours remaining, 209.250000 MB of memory in use. ENERGY: 770400 730.0483 2088.2639 1921.3423 110.2726 -206358.0264 17904.5655 0.0000 0.0000 34207.5638 -149395.9700 298.7432 -183603.5339 -149294.0837 298.7878 -61.2820 -31.0276 558996.6660 -6.5731 -6.4326 PRESSURE: 770600 -103.99 24.0089 -1.92601 24.0075 -117.238 -222.944 -1.92554 -222.944 -268.929 GPRESSURE: 770600 -62.5515 16.4477 46.2839 -4.21752 -84.9343 -269.138 -36.3683 -216.681 -239.673 PRESSAVG: 770600 43.6577 40.6573 -54.7018 40.6572 17.7687 26.1645 -54.7018 26.1644 -75.728 GPRESSAVG: 770600 44.6427 41.3483 -52.785 41.418 17.4975 29.5944 -56.2944 24.3268 -76.7613 TIMING: 770600 CPU: 2314.5, 0.00300719/step Wall: 2314.5, 0.00300719/step, 3.53295 hours remaining, 209.250000 MB of memory in use. ENERGY: 770600 754.1538 2096.6903 1953.6381 105.6032 -206192.8012 17599.1961 0.0000 0.0000 34173.1052 -149510.4145 298.4422 -183683.5197 -149417.0510 298.1486 -163.3857 -129.0530 558842.8745 -4.7672 -4.8737 PRESSURE: 770800 -237.714 49.7295 -71.5419 49.7303 -263.694 -7.02892 -71.5428 -7.02988 -48.711 GPRESSURE: 770800 -189.16 88.6552 -149.126 42.4902 -214.279 6.82537 12.8839 33.1216 -39.8745 PRESSAVG: 770800 -10.2185 -16.7566 30.8827 -16.7567 -0.857264 -60.0042 30.8828 -60.0042 45.5027 GPRESSAVG: 770800 -10.9394 -16.6968 30.128 -16.3207 -0.518275 -59.9947 32.9428 -60.1474 45.9131 TIMING: 770800 CPU: 2315.11, 0.00304689/step Wall: 2315.11, 0.00304689/step, 3.57942 hours remaining, 209.250000 MB of memory in use. ENERGY: 770800 775.1455 2122.6715 1936.7658 109.2227 -206232.5701 17737.7300 0.0000 0.0000 34159.0648 -149391.9699 298.3196 -183551.0346 -149296.4518 298.4568 -183.3730 -147.7712 558476.0789 11.4757 11.4852 PRESSURE: 771000 -257.125 68.9616 -114.047 68.961 -290.653 0.0228974 -114.048 0.0226183 -159.854 GPRESSURE: 771000 -248.286 -16.6827 -122.813 122.651 -235.915 29.3623 -81.5723 -32.3477 -130.285 PRESSAVG: 771000 -53.8003 34.0739 2.40229 34.0738 -51.5053 11.3285 2.40234 11.3285 68.9776 GPRESSAVG: 771000 -54.209 32.9069 3.61637 33.1761 -52.8217 9.84938 1.50565 11.4377 70.039 TIMING: 771000 CPU: 2315.72, 0.00303184/step Wall: 2315.72, 0.00303184/step, 3.56158 hours remaining, 209.250000 MB of memory in use. ENERGY: 771000 726.8109 2137.1498 1912.9528 120.7267 -205928.9285 17559.1397 0.0000 0.0000 34177.8840 -149294.2646 298.4840 -183472.1486 -149197.0409 298.5210 -235.8774 -204.8286 558213.0227 -12.1093 -12.3306 PRESSURE: 771200 -456.441 25.0235 -8.39792 25.0214 -224.204 -144.498 -8.39781 -144.5 -50.5069 GPRESSURE: 771200 -419.501 -40.3492 -34.1291 43.2676 -204.742 -42.6029 -37.6733 -237.833 -23.0456 PRESSAVG: 771200 -9.9971 31.6907 -16.0522 31.6907 -34.7876 -10.5858 -16.0522 -10.5858 26.0358 GPRESSAVG: 771200 -11.5668 32.6373 -15.9644 31.0947 -34.4807 -9.83939 -17.1259 -12.6896 26.879 TIMING: 771200 CPU: 2316.33, 0.00302591/step Wall: 2316.33, 0.00302591/step, 3.55444 hours remaining, 209.250000 MB of memory in use. ENERGY: 771200 753.3275 2096.4053 1920.3779 99.5122 -205715.5524 17392.9440 0.0000 0.0000 33964.0148 -149488.9707 296.6162 -183452.9855 -149382.2323 299.1715 -243.7174 -215.7628 558307.7541 -6.2497 -6.3895 PRESSURE: 771400 -155.552 74.7202 -85.2494 74.7199 -21.112 -79.389 -85.2489 -79.3877 20.5023 GPRESSURE: 771400 -113.712 84.0646 41.2772 48.4823 24.6797 -60.1885 -172.637 -78.0153 26.2651 PRESSAVG: 771400 -25.1209 -12.2734 -20.1715 -12.2733 -24.5177 -4.43958 -20.1715 -4.43963 41.6795 GPRESSAVG: 771400 -25.022 -12.3205 -20.6111 -12.2222 -25.035 -4.34791 -19.9885 -2.53171 41.6458 TIMING: 771400 CPU: 2316.93, 0.00303458/step Wall: 2316.93, 0.00303458/step, 3.56445 hours remaining, 209.250000 MB of memory in use. ENERGY: 771400 750.5418 2127.8247 1948.8731 114.6757 -206482.7680 17831.5759 0.0000 0.0000 34408.9277 -149300.3492 300.5017 -183709.2769 -149201.5516 298.9805 -52.0538 -20.9225 555558.5596 -2.6530 -2.8037 PRESSURE: 771600 -86.5792 76.0372 -104.743 76.0373 -436.417 194.111 -104.743 194.111 -109.314 GPRESSURE: 771600 -28.0353 0.463365 -66.1362 61.8862 -418.953 164.541 -41.1004 125.98 -93.0749 PRESSAVG: 771600 6.22018 45.5063 19.5717 45.5063 -23.4073 7.12365 19.5717 7.12363 20.2176 GPRESSAVG: 771600 8.3468 47.2626 20.3852 44.672 -22.9609 5.46003 19.3959 7.12695 17.878 TIMING: 771600 CPU: 2317.54, 0.00304408/step Wall: 2317.54, 0.00304408/step, 3.57544 hours remaining, 209.250000 MB of memory in use. ENERGY: 771600 741.5664 2088.9295 1940.9877 113.8862 -205942.1570 17572.0760 0.0000 0.0000 34125.6321 -149359.0790 298.0276 -183484.7111 -149261.3186 299.3828 -210.7700 -180.0210 557320.3589 1.0102 1.0880 PRESSURE: 771800 -155.925 -49.9715 -115.018 -49.9712 -127.459 -61.1326 -115.018 -61.1329 8.67794 GPRESSURE: 771800 -190.44 -34.0759 -75.0576 77.5821 -77.4877 -16.9865 -167.001 -53.4268 85.5895 PRESSAVG: 771800 88.6274 23.0102 -27.2186 23.0102 -34.2279 -14.1162 -27.2187 -14.1161 -24.9095 GPRESSAVG: 771800 87.7397 21.9372 -29.4728 24.0271 -34.0381 -14.4743 -26.9287 -12.8954 -24.1396 TIMING: 771800 CPU: 2318.14, 0.00300833/step Wall: 2318.14, 0.00300833/step, 3.53328 hours remaining, 209.250000 MB of memory in use. ENERGY: 771800 781.6321 2039.2612 1942.2628 105.9957 -206089.7926 17658.1499 0.0000 0.0000 34058.0863 -149504.4047 297.4377 -183562.4909 -149411.2499 298.6833 -91.5687 -60.7794 556914.3129 9.8300 9.8540 PRESSURE: 772000 -133.534 68.0086 161.503 68.0082 -106.791 -89.8346 161.503 -89.8357 169.975 GPRESSURE: 772000 -118.523 123.915 210.118 -30.4578 -24.6369 -18.2939 93.4899 -172.941 172.338 PRESSAVG: 772000 -4.74349 35.1888 -11.183 35.1888 -10.2627 8.01445 -11.1829 8.01453 23.298 GPRESSAVG: 772000 -5.216 35.1482 -11.4215 37.2082 -10.1674 10.069 -10.268 8.00514 23.0373 TIMING: 772000 CPU: 2318.74, 0.00299403/step Wall: 2318.74, 0.00299403/step, 3.51633 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: 772000 718.9900 2073.1107 1929.0624 100.9045 -206319.5977 17844.5605 0.0000 0.0000 34077.0207 -149575.9489 297.6031 -183652.9696 -149475.2409 297.6830 -23.4500 9.7261 558238.0786 2.7639 2.5513 PRESSURE: 772200 42.2842 38.0819 -114.966 38.0827 -141.107 -69.8267 -114.965 -69.8258 -178.128 GPRESSURE: 772200 34.7426 12.0217 -168.757 37.8809 -100.009 -78.5775 -103.091 24.7836 -116.846 PRESSAVG: 772200 -31.7719 -35.8489 -18.7728 -35.8489 45.194 1.96197 -18.7729 1.96194 -8.93901 GPRESSAVG: 772200 -31.0382 -35.6077 -17.2372 -38.7097 44.3908 0.136201 -19.6626 2.33645 -8.71711 TIMING: 772200 CPU: 2319.34, 0.00301006/step Wall: 2319.34, 0.00301006/step, 3.53498 hours remaining, 209.250000 MB of memory in use. ENERGY: 772200 731.9734 2041.0001 1936.0120 104.2845 -205966.6729 17674.4094 0.0000 0.0000 33867.5383 -149611.4552 295.7736 -183478.9935 -149520.4387 297.6319 -92.3169 -60.7042 556627.5335 1.4944 1.5452 LDB: ============= START OF LOAD BALANCING ============== 2322.86 LDB: ============== END OF LOAD BALANCING =============== 2322.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2322.86 LDB: ============= START OF LOAD BALANCING ============== 2323.16 LDB: Largest compute 4773 load 0.024733 is 21.0% of average load 0.117929 LDB: Average compute 0.001725 is 1.5% of average load 0.117929 LDB: TIME 2323.16 LOAD: AVG 0.117929 MAX 0.209762 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.906 MB LDB: TIME 2323.16 LOAD: AVG 0.117929 MAX 0.209762 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.977 MB LDB: TIME 2323.16 LOAD: AVG 0.117929 MAX 0.209762 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.977 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2323.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2323.17 PRESSURE: 772400 -118.353 154.275 45.1575 154.277 69.6629 131.245 45.1569 131.244 8.98364 GPRESSURE: 772400 -70.1341 146.404 45.4079 118.704 130.027 139.689 32.4665 162.675 -16.5259 PRESSAVG: 772400 14.6766 10.2826 -23.5695 10.2827 12.1578 1.85606 -23.5695 1.85602 4.90099 GPRESSAVG: 772400 14.4563 9.8 -24.9789 10.2792 13.3546 4.6455 -23.2838 -0.525369 3.95113 TIMING: 772400 CPU: 2319.95, 0.00304028/step Wall: 2319.95, 0.00304028/step, 3.5703 hours remaining, 208.476562 MB of memory in use. ENERGY: 772400 765.3330 2036.6715 1913.4577 104.7662 -206418.5314 17848.2054 0.0000 0.0000 34356.4191 -149393.6785 300.0432 -183750.0976 -149293.3843 298.3718 -13.2354 14.4558 555844.9270 10.5785 10.5873 PRESSURE: 772600 -148.633 -220.136 41.2045 -220.136 279.398 -92.0057 41.2046 -92.0065 -9.29873 GPRESSURE: 772600 -129.746 -209.555 22.9953 -181.081 290.03 -158.732 -12.6071 -75.588 54.2325 PRESSAVG: 772600 -49.7769 11.2336 16.0003 11.2336 49.7341 -5.67327 16.0003 -5.67328 7.43263 GPRESSAVG: 772600 -50.3527 12.3174 16.3317 12.0486 49.2506 -8.33986 16.8193 -3.98794 8.6318 TIMING: 772600 CPU: 2320.56, 0.00302662/step Wall: 2320.56, 0.00302662/step, 3.5541 hours remaining, 208.542969 MB of memory in use. ENERGY: 772600 745.2821 2121.5146 1906.4792 106.4889 -206643.7891 17923.4921 0.0000 0.0000 34452.0455 -149388.4866 300.8783 -183840.5321 -149286.6569 299.6124 40.4890 71.5054 557023.5709 2.4633 2.5099 PRESSURE: 772800 -39.7776 96.7207 59.9433 96.7208 303.404 -270.589 59.9417 -270.59 155.627 GPRESSURE: 772800 -35.7639 109.099 95.0908 70.4608 290.694 -310.123 18.4086 -289.245 253.054 PRESSAVG: 772800 6.76966 -6.5547 14.5118 -6.55474 28.887 -6.28868 14.5118 -6.28887 -27.4719 GPRESSAVG: 772800 7.57211 -7.11947 16.5713 -7.10483 28.959 -3.13112 12.3174 -7.90103 -27.6814 TIMING: 772800 CPU: 2321.16, 0.0030379/step Wall: 2321.16, 0.0030379/step, 3.56718 hours remaining, 208.542969 MB of memory in use. ENERGY: 772800 744.3379 2110.6572 1956.5416 104.6184 -206418.0608 18061.2468 0.0000 0.0000 34177.6136 -149263.0453 298.4816 -183440.6589 -149175.0077 300.0112 139.7512 169.3281 557298.1561 2.7283 2.9499 PRESSURE: 773000 -125.448 152.445 -108.848 152.444 60.6722 -136.035 -108.849 -136.035 185.633 GPRESSURE: 773000 -130.381 171.529 -185.66 145.165 88.2449 -141.847 -53.5065 -113.664 268.661 PRESSAVG: 773000 -30.4908 56.6915 1.02886 56.6915 -25.1699 -54.6575 1.02889 -54.6574 39.9296 GPRESSAVG: 773000 -30.6075 55.83 -2.34699 56.4619 -25.3155 -56.9748 3.64321 -53.8099 39.8556 TIMING: 773000 CPU: 2321.77, 0.00302044/step Wall: 2321.77, 0.00302044/step, 3.5465 hours remaining, 208.542969 MB of memory in use. ENERGY: 773000 748.6817 2087.0824 1943.8091 112.5619 -206338.0999 17943.2640 0.0000 0.0000 34169.4729 -149333.2279 298.4105 -183502.7008 -149238.9408 298.9810 40.2858 75.5082 557933.7646 -5.2437 -5.3558 PRESSURE: 773200 -326.867 -1.3381 54.1447 -1.33746 -119.082 -96.0203 54.1436 -96.0236 -142.847 GPRESSURE: 773200 -294.174 -115.772 -25.8229 97.9577 -97.8228 -120.821 137.376 -144.803 -94.9629 PRESSAVG: 773200 16.7247 19.8928 -9.06823 19.8927 48.0938 -46.5421 -9.06826 -46.5422 -25.3302 GPRESSAVG: 773200 16.1352 19.7453 -8.73604 19.9328 49.682 -46.8988 -10.7359 -46.879 -25.9273 TIMING: 773200 CPU: 2322.38, 0.00304201/step Wall: 2322.38, 0.00304201/step, 3.57165 hours remaining, 208.542969 MB of memory in use. ENERGY: 773200 771.1857 2068.5942 1910.7338 123.3997 -205960.4160 17457.6120 0.0000 0.0000 34415.7420 -149213.1486 300.5612 -183628.8906 -149109.9846 299.4172 -196.2651 -162.3199 559173.5982 13.1627 13.2966 PRESSURE: 773400 -96.5791 -17.7662 150.14 -17.7644 -273.124 -8.91706 150.14 -8.91607 -283.138 GPRESSURE: 773400 -81.8118 72.2127 188.719 -6.25886 -241.706 -59.9195 143.162 8.81281 -227.575 PRESSAVG: 773400 9.48033 -66.4126 18.5531 -66.4126 -37.0227 -12.0701 18.553 -12.0701 58.9792 GPRESSAVG: 773400 11.1548 -65.6611 21.6124 -66.8641 -38.371 -11.8789 18.5978 -10.3971 58.928 TIMING: 773400 CPU: 2322.99, 0.00305031/step Wall: 2322.99, 0.00305031/step, 3.58123 hours remaining, 208.542969 MB of memory in use. ENERGY: 773400 763.3346 2060.2056 1896.7586 122.1152 -205502.2764 17424.6802 0.0000 0.0000 34194.2754 -149040.9068 298.6271 -183235.1821 -148944.1784 299.6468 -217.6136 -183.6976 559627.2153 10.4789 10.5706 PRESSURE: 773600 24.5639 -164.645 142.581 -164.645 116.201 28.0421 142.58 28.0433 155.61 GPRESSURE: 773600 83.2611 -200.583 100.915 -175.657 171.845 2.74313 185.909 -24.9177 136.065 PRESSAVG: 773600 -15.7576 15.3489 -30.4476 15.3489 14.7884 10.3273 -30.4476 10.3273 29.6013 GPRESSAVG: 773600 -17.4048 14.355 -32.745 16.8113 15.883 10.8033 -29.4149 7.53492 29.9305 TIMING: 773600 CPU: 2323.59, 0.00301073/step Wall: 2323.59, 0.00301073/step, 3.53459 hours remaining, 208.542969 MB of memory in use. ENERGY: 773600 763.8311 2067.8813 1906.8771 110.6173 -206319.7258 17921.0750 0.0000 0.0000 34410.8235 -149138.6205 300.5183 -183549.4440 -149042.2091 299.7852 98.7918 130.3904 558460.9622 9.5440 9.4696 PRESSURE: 773800 273.773 15.0969 209.662 15.0965 -196.932 -111.122 209.662 -111.122 -28.787 GPRESSURE: 773800 242.222 69.7881 287.395 27.2282 -178.882 -130.074 188.197 -176.699 73.4243 PRESSAVG: 773800 -2.40214 10.3205 59.8303 10.3206 -14.1845 -6.56189 59.8304 -6.562 30.8866 GPRESSAVG: 773800 -3.23283 11.4885 59.9612 9.14774 -14.4141 -4.59689 60.7111 -6.01629 31.9379 TIMING: 773800 CPU: 2324.19, 0.00299991/step Wall: 2324.19, 0.00299991/step, 3.52172 hours remaining, 208.542969 MB of memory in use. ENERGY: 773800 726.1347 2065.2943 1929.0006 118.4229 -206232.1076 17822.7778 0.0000 0.0000 34389.3190 -149181.1582 300.3305 -183570.4772 -149087.7393 299.7295 16.0180 45.5881 557494.0382 4.7666 4.7637 PRESSURE: 774000 -192.387 -54.1407 -53.1468 -54.1413 -46.4284 -178.617 -53.1464 -178.62 -174.314 GPRESSURE: 774000 -126.408 -46.8242 -11.6728 0.0668826 -34.5081 -120.146 -124.59 -199.446 -141.056 PRESSAVG: 774000 17.8704 -41.6856 39.185 -41.6856 38.5046 -56.2981 39.1851 -56.2982 -59.094 GPRESSAVG: 774000 17.4529 -41.1602 40.9986 -42.5293 39.1912 -60.3903 37.1853 -54.7758 -59.6368 TIMING: 774000 CPU: 2324.8, 0.00303971/step Wall: 2324.8, 0.00303971/step, 3.56829 hours remaining, 208.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 774000 741.1448 2084.9169 1909.8215 102.2389 -205658.6080 17537.5845 0.0000 0.0000 34349.9772 -148932.9241 299.9869 -183282.9013 -148833.4644 299.3242 -137.7096 -100.6573 558449.5347 -0.9063 -0.9976 PRESSURE: 774200 -259.841 -12.0239 127.043 -12.0242 -316.559 -225.279 127.043 -225.279 -116.459 GPRESSURE: 774200 -296.841 -13.5528 114.899 -38.6493 -209.699 -184.056 169.83 -151.996 -90.2817 PRESSAVG: 774200 -21.9218 -27.9722 26.5506 -27.9721 -51.5355 -57.2743 26.5506 -57.2743 72.1261 GPRESSAVG: 774200 -21.293 -29.9237 24.3075 -25.4291 -51.3352 -55.6181 28.9176 -58.2849 71.2481 TIMING: 774200 CPU: 2325.4, 0.00301518/step Wall: 2325.4, 0.00301518/step, 3.53932 hours remaining, 208.542969 MB of memory in use. ENERGY: 774200 736.2906 2030.5814 1953.9481 125.7305 -205840.2675 17388.2037 0.0000 0.0000 34543.6281 -149061.8851 301.6781 -183605.5132 -148956.9934 299.7924 -230.9533 -198.9405 558618.3637 -0.4438 -0.4600 PRESSURE: 774400 -296.028 222.453 -116.882 222.453 -339.117 -114.152 -116.88 -114.154 -188.925 GPRESSURE: 774400 -224.613 228.263 -42.9522 187.014 -387.103 -129.422 -106.939 -75.647 -124.513 PRESSAVG: 774400 -5.31868 30.7369 4.25102 30.7368 -89.0068 -19.1729 4.251 -19.1729 50.4706 GPRESSAVG: 774400 -5.00453 31.6783 7.16051 28.934 -90.438 -18.7544 0.836082 -20.3326 51.2878 TIMING: 774400 CPU: 2326, 0.00302276/step Wall: 2326, 0.00302276/step, 3.54805 hours remaining, 208.542969 MB of memory in use. ENERGY: 774400 776.7490 2068.0012 1913.8884 100.0556 -205410.2522 17324.2353 0.0000 0.0000 34196.8458 -149030.4771 298.6496 -183227.3228 -148933.1736 299.8738 -274.6897 -245.4094 559457.4680 -14.6183 -14.7182 PRESSURE: 774600 -80.7155 -175.447 16.2206 -175.446 -41.7468 -66.6318 16.2208 -66.6333 73.034 GPRESSURE: 774600 -86.2315 -156.207 60.5904 -153.129 30.4835 -53.9483 -64.7722 -59.1687 101.256 PRESSAVG: 774600 -31.3795 9.53581 -10.3893 9.53579 -9.7712 -45.6239 -10.3893 -45.6238 52.705 GPRESSAVG: 774600 -32.5293 10.0295 -13.6645 10.767 -9.09195 -47.0869 -8.89532 -43.6829 53.3131 TIMING: 774600 CPU: 2326.61, 0.00300587/step Wall: 2326.61, 0.00300587/step, 3.52806 hours remaining, 208.542969 MB of memory in use. ENERGY: 774600 764.1482 2080.4024 1919.4767 116.2918 -206075.3883 17880.8010 0.0000 0.0000 34317.9691 -148996.2992 299.7074 -183314.2682 -148896.2319 299.6955 -16.4761 15.1695 558043.1756 3.8514 3.8973 PRESSURE: 774800 41.1761 -70.0606 -19.5065 -70.0613 -196.969 -93.6914 -19.5065 -93.69 -378.938 GPRESSURE: 774800 68.1226 -110.083 45.8486 -120.776 -163.316 -110.458 -35.0383 -76.2384 -336.779 PRESSAVG: 774800 62.181 -1.04977 -27.5953 -1.0497 -0.199144 10.0514 -27.5953 10.0515 -107.425 GPRESSAVG: 774800 63.0766 -2.64563 -25.207 1.19542 -1.01683 12.1052 -27.6224 7.65357 -107.496 TIMING: 774800 CPU: 2327.21, 0.00303719/step Wall: 2327.21, 0.00303719/step, 3.56465 hours remaining, 208.542969 MB of memory in use. ENERGY: 774800 740.5715 2106.0458 1920.0902 118.5158 -205822.8351 17605.3939 0.0000 0.0000 34297.2062 -149035.0116 299.5260 -183332.2179 -148937.8522 299.7673 -178.2438 -143.9909 558145.8267 -15.1476 -15.1454 PRESSURE: 775000 -121.432 159.741 55.054 159.739 -277.292 21.7221 55.0538 21.723 -94.2617 GPRESSURE: 775000 -122.626 43.5053 127.161 174.76 -232.057 8.34705 -20.3521 6.70088 -36.7558 PRESSAVG: 775000 -9.95138 -55.1051 8.91384 -55.1051 31.5355 -41.9361 8.91386 -41.9359 -5.27292 GPRESSAVG: 775000 -11.2888 -53.9825 9.97316 -58.5162 32.3708 -42.9152 8.7703 -42.013 -5.58963 TIMING: 775000 CPU: 2327.82, 0.003025/step Wall: 2327.82, 0.003025/step, 3.55018 hours remaining, 208.542969 MB of memory in use. ENERGY: 775000 747.6433 2148.8229 1936.2724 118.5405 -205762.4180 17424.9469 0.0000 0.0000 34327.2354 -149058.9566 299.7883 -183386.1920 -148960.5817 299.7822 -164.3284 -130.4794 557537.8733 5.4371 5.1641 PRESSURE: 775200 -43.4885 -85.3078 -105.115 -85.307 -228.787 126.038 -105.116 126.042 -59.5811 GPRESSURE: 775200 -0.548853 39.1336 -108.983 -133.29 -197.682 259.629 -130.818 107.329 -33.2645 PRESSAVG: 775200 28.26 -7.53935 15.2985 -7.53931 -10.5462 4.25774 15.2983 4.25781 2.07858 GPRESSAVG: 775200 29.1533 -7.00174 14.0614 -5.8219 -10.6471 5.65207 15.3071 3.78428 2.02321 TIMING: 775200 CPU: 2328.42, 0.00299605/step Wall: 2328.42, 0.00299605/step, 3.51603 hours remaining, 208.542969 MB of memory in use. ENERGY: 775200 727.5817 2168.2979 1947.7598 117.1764 -205810.1700 17415.4619 0.0000 0.0000 34290.1379 -149143.7543 299.4643 -183433.8923 -149043.7697 299.7688 -110.6189 -77.1651 556663.9714 6.5974 6.8431 PRESSURE: 775400 150.486 29.4411 99.7071 29.4426 -55.7346 19.8481 99.7074 19.849 -36.3548 GPRESSURE: 775400 215.777 14.0369 160.21 49.2101 -37.9715 -44.406 68.7534 14.3409 -23.7705 PRESSAVG: 775400 9.02681 9.40977 -13.8092 9.4097 7.7152 0.216848 -13.8092 0.216787 -11.9498 GPRESSAVG: 775400 9.1346 9.89666 -12.7423 9.5018 7.88705 -0.45516 -13.618 0.143345 -11.9635 TIMING: 775400 CPU: 2329.02, 0.00302886/step Wall: 2329.02, 0.00302886/step, 3.55437 hours remaining, 208.542969 MB of memory in use. ENERGY: 775400 740.0425 2094.6960 1923.9018 119.3669 -205866.1607 17673.3156 0.0000 0.0000 34256.7406 -149058.0973 299.1726 -183314.8379 -148957.9628 298.8885 19.4656 51.3450 557283.9932 1.5974 1.6861 PRESSURE: 775600 140.732 85.4391 89.691 85.44 124.334 -72.1922 89.6901 -72.1923 -167.647 GPRESSURE: 775600 143.009 96.7257 114.951 94.9281 149.322 -44.1063 84.6074 -105.227 -95.5485 PRESSAVG: 775600 -7.46225 -18.5051 34.8413 -18.5051 -32.0219 43.231 34.8413 43.231 8.65331 GPRESSAVG: 775600 -7.34315 -18.2365 33.8246 -19.6061 -31.5712 43.2278 32.5017 44.1115 8.8167 TIMING: 775600 CPU: 2329.63, 0.0030312/step Wall: 2329.63, 0.0030312/step, 3.55694 hours remaining, 208.542969 MB of memory in use. ENERGY: 775600 815.4323 2091.6107 1900.6954 110.2875 -206112.9465 17914.0637 0.0000 0.0000 34303.1501 -148977.7067 299.5779 -183280.8568 -148880.6614 299.8689 32.4729 65.5941 557308.8611 -10.2770 -10.0326 PRESSURE: 775800 144.13 -119.66 -116.032 -119.658 59.1799 61.2543 -116.032 61.254 -132.355 GPRESSURE: 775800 168.464 -83.5227 -149.296 -113.363 77.6915 82.4335 -45.3639 -9.42242 -80.0344 PRESSAVG: 775800 -9.92894 -95.7984 -14.3991 -95.7986 -15.3837 0.61272 -14.3991 0.612705 2.87207 GPRESSAVG: 775800 -10.3601 -97.4061 -16.5864 -95.6796 -15.6306 1.83568 -9.92127 -0.801548 3.98664 TIMING: 775800 CPU: 2330.23, 0.00301647/step Wall: 2330.23, 0.00301647/step, 3.53949 hours remaining, 208.542969 MB of memory in use. ENERGY: 775800 769.4711 2073.3054 1931.4359 102.3918 -205875.5437 17687.4173 0.0000 0.0000 34257.8766 -149053.6456 299.1826 -183311.5222 -148952.2220 299.9049 23.6516 55.3736 556617.0970 -7.4802 -7.3347 PRESSURE: 776000 70.352 -8.57407 28.1105 -8.57369 -44.6546 -24.0362 28.1107 -24.0364 -83.7317 GPRESSURE: 776000 100.979 -58.0657 121.887 32.2267 -69.7544 -63.5975 -45.9327 48.2497 3.47041 PRESSAVG: 776000 0.0907464 -27.583 33.5425 -27.583 -48.0304 49.8386 33.5424 49.8387 40.2012 GPRESSAVG: 776000 1.10182 -27.3793 36.2255 -26.916 -48.1123 49.6801 32.1967 50.1413 39.2533 TIMING: 776000 CPU: 2330.84, 0.0030494/step Wall: 2330.84, 0.0030494/step, 3.57797 hours remaining, 208.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 776000 747.5524 2085.1228 1947.6216 110.3117 -206147.9101 17799.4492 0.0000 0.0000 34277.9305 -149179.9218 299.3577 -183457.8524 -149088.0936 299.2875 -19.3448 11.5651 557098.2477 -2.5795 -2.5857 PRESSURE: 776200 -143.563 31.9064 -42.2123 31.9053 -305.056 -110.273 -42.2123 -110.272 191.235 GPRESSURE: 776200 -44.3148 47.3271 -70.2534 51.8616 -272.649 -133.685 -13.4665 -66.5578 156.92 PRESSAVG: 776200 21.222 -45.8287 0.50145 -45.8287 -32.613 6.17732 0.501344 6.17718 29.5065 GPRESSAVG: 776200 20.7299 -46.7419 -1.5913 -43.8573 -32.3703 3.12829 1.29977 6.56958 30.2877 TIMING: 776200 CPU: 2331.45, 0.00302115/step Wall: 2331.45, 0.00302115/step, 3.54465 hours remaining, 208.542969 MB of memory in use. ENERGY: 776200 760.2428 2105.9229 1946.7764 122.0502 -206129.9949 17702.3570 0.0000 0.0000 34152.0786 -149340.5670 298.2586 -183492.6455 -149242.3465 299.4436 -85.7946 -53.3480 555844.8017 6.0385 6.2157 LDB: ============= START OF LOAD BALANCING ============== 2334.97 LDB: ============== END OF LOAD BALANCING =============== 2334.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2334.97 LDB: ============= START OF LOAD BALANCING ============== 2335.28 LDB: Largest compute 4773 load 0.026130 is 22.2% of average load 0.117939 LDB: Average compute 0.001726 is 1.5% of average load 0.117939 LDB: TIME 2335.28 LOAD: AVG 0.117939 MAX 0.213934 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.762 MB LDB: TIME 2335.28 LOAD: AVG 0.117939 MAX 0.213934 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.965 MB LDB: TIME 2335.28 LOAD: AVG 0.117939 MAX 0.213934 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.965 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2335.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2335.29 PRESSURE: 776400 141.843 -59.5383 -20.8055 -59.5391 -31.8442 -233.985 -20.8058 -233.984 69.7567 GPRESSURE: 776400 178.259 -107.465 -8.32368 -63.3825 15.8482 -155.555 -51.1801 -253.583 73.229 PRESSAVG: 776400 33.4836 3.20816 17.0999 3.20809 -52.4801 -18.5525 17.0998 -18.5525 51.643 GPRESSAVG: 776400 34.1797 4.82259 17.7379 2.177 -52.8447 -17.0698 16.1035 -17.2469 51.5838 TIMING: 776400 CPU: 2332.07, 0.0031182/step Wall: 2332.07, 0.0031182/step, 3.65834 hours remaining, 207.761719 MB of memory in use. ENERGY: 776400 755.2603 2020.7535 1961.1205 112.7181 -206482.6949 18074.7891 0.0000 0.0000 34261.8407 -149296.2127 299.2172 -183558.0534 -149196.4969 299.1170 59.9185 89.1119 556492.1218 10.8822 10.9729 PRESSURE: 776600 223.337 135.315 56.0765 135.317 16.0601 78.836 56.0757 78.833 -345.815 GPRESSURE: 776600 224.222 165.641 61.0617 16.1454 28.3541 119.002 74.4685 15.0228 -264.855 PRESSAVG: 776600 43.3876 16.6683 62.3246 16.6684 -16.6782 28.0243 62.3246 28.0242 -4.18221 GPRESSAVG: 776600 41.8379 14.8738 62.6392 17.4454 -15.2342 29.0805 63.019 28.0202 -4.52405 TIMING: 776600 CPU: 2332.67, 0.00302098/step Wall: 2332.67, 0.00302098/step, 3.54412 hours remaining, 207.964844 MB of memory in use. ENERGY: 776600 717.0157 2046.7863 1947.9956 109.9788 -205971.8090 17530.4944 0.0000 0.0000 34336.4813 -149283.0568 299.8690 -183619.5381 -149181.3550 299.3627 -35.4727 -4.0929 557242.1304 7.5091 7.3599 PRESSURE: 776800 -64.4724 -8.28522 -122.839 -8.28558 -153.958 -19.8923 -122.839 -19.892 -149.953 GPRESSURE: 776800 -35.7592 -55.4771 -144.164 -2.35624 -140.767 72.8526 -82.4427 -28.8913 -95.8696 PRESSAVG: 776800 22.9017 7.50688 -9.513 7.50702 -18.9904 20.3237 -9.51307 20.3238 28.4227 GPRESSAVG: 776800 24.181 6.43506 -9.03781 7.36743 -19.5083 20.0409 -9.33467 19.9527 28.3339 TIMING: 776800 CPU: 2333.28, 0.00303781/step Wall: 2333.28, 0.00303781/step, 3.56369 hours remaining, 207.964844 MB of memory in use. ENERGY: 776800 767.3714 2090.3634 1918.9262 109.8766 -206241.2171 17775.5888 0.0000 0.0000 34146.7131 -149432.3776 298.2117 -183579.0907 -149334.7281 299.0113 -122.7946 -90.7985 558157.6686 10.7780 11.0022 PRESSURE: 777000 -45.2978 -22.7839 42.8659 -22.7839 67.3849 116.284 42.8649 116.285 130.229 GPRESSURE: 777000 -16.8563 10.77 56.1224 74.8755 131.856 193.324 53.6952 156.206 138.935 PRESSAVG: 777000 57.2025 1.18557 -7.93644 1.18542 -36.743 33.8388 -7.93641 33.8388 -35.8027 GPRESSAVG: 777000 56.9034 3.47507 -8.22149 0.583665 -36.3925 34.0388 -8.12012 34.5726 -35.5884 TIMING: 777000 CPU: 2333.9, 0.00309364/step Wall: 2333.9, 0.00309364/step, 3.62901 hours remaining, 207.964844 MB of memory in use. ENERGY: 777000 747.9773 2081.5089 1910.1531 124.7939 -206560.2561 18001.1092 0.0000 0.0000 34276.3317 -149418.3820 299.3437 -183694.7137 -149318.2184 298.5508 50.7720 84.6449 557030.3687 -5.1144 -5.0258 PRESSURE: 777200 14.9435 110.341 14.7909 110.341 133.902 93.3606 14.7926 93.361 -100.49 GPRESSURE: 777200 73.3695 169.56 -58.8765 72.1548 149.721 6.21814 -4.25627 130.127 -90.2783 PRESSAVG: 777200 -23.872 39.0383 12.2938 39.0382 -7.55082 53.306 12.2938 53.306 -10.7897 GPRESSAVG: 777200 -23.137 40.3547 13.5633 36.5237 -7.68434 53.789 10.4323 50.7 -11.1309 TIMING: 777200 CPU: 2334.51, 0.00304483/step Wall: 2334.51, 0.00304483/step, 3.57159 hours remaining, 207.964844 MB of memory in use. ENERGY: 777200 762.5476 2069.5305 1931.3814 113.1244 -206354.2884 17851.0961 0.0000 0.0000 34197.0381 -149429.5703 298.6512 -183626.6084 -149342.0283 299.1705 16.1186 44.2706 556161.6018 -14.0708 -13.9841 PRESSURE: 777400 -239.34 35.6892 209.584 35.6895 63.5257 -157.087 209.584 -157.087 -350.263 GPRESSURE: 777400 -148.901 103.25 258.693 41.4535 -12.0943 -66.6718 143.145 -147.673 -272.617 PRESSAVG: 777400 58.1926 3.17248 -25.6065 3.17252 -66.8352 55.2447 -25.6066 55.2446 19.5174 GPRESSAVG: 777400 56.938 0.266753 -26.5701 5.70401 -66.2851 55.0173 -24.4877 56.532 20.7611 TIMING: 777400 CPU: 2335.11, 0.00301911/step Wall: 2335.11, 0.00301911/step, 3.54124 hours remaining, 207.964844 MB of memory in use. ENERGY: 777400 754.8958 2058.6918 1937.3357 108.8247 -206213.8785 17516.9814 0.0000 0.0000 34316.7475 -149520.4016 299.6967 -183837.1491 -149418.2210 299.0378 -175.3589 -144.5374 558176.4869 3.6249 3.8047 PRESSURE: 777600 19.0845 -168.895 -136.711 -168.897 -209.315 43.837 -136.711 43.838 -232.726 GPRESSURE: 777600 97.4401 -193.814 -120.778 -159.289 -183.964 20.0448 -131.119 18.8689 -234.375 PRESSAVG: 777600 -19.1976 -19.5248 18.0837 -19.5249 61.2291 -7.09429 18.0837 -7.09429 -15.1921 GPRESSAVG: 777600 -17.0366 -19.048 18.7567 -22.6031 61.0004 -6.68808 17.117 -8.49812 -17.0066 TIMING: 777600 CPU: 2335.71, 0.00297581/step Wall: 2335.71, 0.00297581/step, 3.4903 hours remaining, 207.964844 MB of memory in use. ENERGY: 777600 736.9787 2078.2086 1939.8232 122.0412 -205709.3947 17448.1815 0.0000 0.0000 33972.9213 -149411.2402 296.6940 -183384.1614 -149315.0603 298.1372 -140.9854 -106.9663 557142.3156 8.9465 8.9857 PRESSURE: 777800 -26.3376 181.231 -1.5546 181.232 -167.662 -17.8982 -1.55547 -17.9002 151.699 GPRESSURE: 777800 13.3001 168.023 1.29032 202.617 -127.072 -200.453 41.5763 27.7764 174.375 PRESSAVG: 777800 -8.97397 -8.86942 -7.43849 -8.8695 -17.0164 38.3788 -7.4384 38.3789 42.6238 GPRESSAVG: 777800 -10.2285 -8.9973 -9.08044 -5.96281 -17.2494 37.8752 -3.22016 39.2387 44.0905 TIMING: 777800 CPU: 2336.31, 0.00298062/step Wall: 2336.31, 0.00298062/step, 3.49578 hours remaining, 207.964844 MB of memory in use. ENERGY: 777800 764.7447 2111.7353 1942.1357 125.4336 -205858.1717 17496.5613 0.0000 0.0000 34013.6273 -149403.9337 297.0495 -183417.5611 -149305.5312 298.8497 -14.1002 20.2011 555821.5079 5.5445 5.5375 PRESSURE: 778000 -153.755 88.3333 255.211 88.334 177.33 110.718 255.212 110.719 48.3677 GPRESSURE: 778000 -113.391 133.524 216.444 9.20535 204.149 112.374 296.561 60.3934 83.0543 PRESSAVG: 778000 -111.109 51.6639 10.3364 51.6639 32.1986 -1.77399 10.3363 -1.77397 94.2124 GPRESSAVG: 778000 -110.055 51.865 11.948 50.0213 32.147 -3.94931 7.17016 -1.74597 93.1271 TIMING: 778000 CPU: 2336.9, 0.0029785/step Wall: 2336.9, 0.0029785/step, 3.49312 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: 778000 771.3347 2140.8956 1904.5626 129.5423 -206485.2471 17840.7397 0.0000 0.0000 34287.1055 -149411.0666 299.4378 -183698.1722 -149310.4553 298.7615 23.9809 57.9373 555902.6759 5.1005 5.0729 PRESSURE: 778200 106.724 -67.1104 -21.1172 -67.1112 40.0537 -155.898 -21.1177 -155.897 -383.592 GPRESSURE: 778200 150.134 -34.0811 69.1849 -100.961 15.4631 -218.066 -81.1893 -144.638 -305.332 PRESSAVG: 778200 -78.8469 18.7898 -13.3743 18.7898 102.547 -22.6891 -13.3743 -22.6891 16.6347 GPRESSAVG: 778200 -79.2077 19.7771 -12.9619 18.777 102.895 -22.6621 -13.6039 -20.3604 17.2659 TIMING: 778200 CPU: 2337.5, 0.00300496/step Wall: 2337.5, 0.00300496/step, 3.52398 hours remaining, 207.964844 MB of memory in use. ENERGY: 778200 759.1146 2134.7768 1942.2628 127.0056 -206294.0670 17725.4333 0.0000 0.0000 34099.9837 -149505.4903 297.8036 -183605.4740 -149413.0526 299.2903 -78.9380 -46.5783 556422.8002 13.4451 13.6511 PRESSURE: 778400 260.281 -63.2717 -62.2659 -63.273 -125.994 -181.387 -62.2647 -181.387 36.5909 GPRESSURE: 778400 294.438 -50.7577 2.57406 -73.7907 -71.3738 -109.685 -96.8971 -218.058 56.1057 PRESSAVG: 778400 78.3438 -8.34554 -86.5482 -8.34557 -31.2149 -40.4833 -86.5483 -40.4834 -40.5816 GPRESSAVG: 778400 78.1912 -8.26536 -87.4806 -8.04643 -30.5011 -38.751 -86.7362 -42.1328 -40.7993 TIMING: 778400 CPU: 2338.1, 0.00299425/step Wall: 2338.1, 0.00299425/step, 3.51126 hours remaining, 207.964844 MB of memory in use. ENERGY: 778400 770.6072 2131.0237 1945.9604 105.0319 -206466.5562 17889.8583 0.0000 0.0000 34234.3531 -149389.7216 298.9771 -183624.0747 -149297.7626 299.3053 56.9594 93.0565 556967.3350 2.1825 2.2969 PRESSURE: 778600 -93.1403 22.9722 -104.285 22.9725 -44.4251 -77.6407 -104.287 -77.6413 276.858 GPRESSURE: 778600 -69.4814 -2.83033 -11.0787 114.562 30.5706 -2.6169 -139.066 -96.6877 282.201 PRESSAVG: 778600 -41.8547 -9.85207 -59.523 -9.85207 44.8098 -34.1101 -59.5231 -34.1103 22.8958 GPRESSAVG: 778600 -42.3643 -10.3421 -57.9436 -9.67367 44.1852 -33.7135 -61.2242 -34.5573 23.1962 TIMING: 778600 CPU: 2338.7, 0.00299444/step Wall: 2338.7, 0.00299444/step, 3.51131 hours remaining, 207.964844 MB of memory in use. ENERGY: 778600 737.5376 2048.9429 1929.1285 122.6445 -206464.0974 17928.1998 0.0000 0.0000 34333.9070 -149363.7373 299.8465 -183697.6442 -149268.4010 298.7881 46.4308 81.0969 557714.4166 8.6170 8.3390 PRESSURE: 778800 -250.903 44.606 -178.777 44.6071 -138.565 176.77 -178.777 176.77 -121.853 GPRESSURE: 778800 -227.798 -38.0087 -251.557 110.331 -111.802 131.492 -138.959 193.139 -77.3656 PRESSAVG: 778800 -5.27428 10.7706 -3.77129 10.7707 44.9387 5.28557 -3.77119 5.28579 -50.7015 GPRESSAVG: 778800 -5.69525 9.076 -5.0714 12.9746 45.3359 5.54747 -1.98362 4.29863 -51.1824 TIMING: 778800 CPU: 2339.3, 0.00298532/step Wall: 2339.3, 0.00298532/step, 3.50046 hours remaining, 207.964844 MB of memory in use. ENERGY: 778800 733.9085 2142.9572 1976.4123 114.2308 -205868.5015 17463.8182 0.0000 0.0000 34138.3331 -149298.8414 298.1386 -183437.1745 -149199.8272 299.1491 -170.4404 -138.9883 557110.0140 -3.6790 -3.8472 PRESSURE: 779000 -3.62154 -274.467 6.76892 -274.467 -221.65 143.733 6.76875 143.733 221.704 GPRESSURE: 779000 30.0546 -303.523 51.2466 -184.84 -176.376 204.658 42.2061 137.377 229.088 PRESSAVG: 779000 -8.27223 22.1432 -23.9526 22.1431 -3.86909 43.4675 -23.9526 43.4675 22.6774 GPRESSAVG: 779000 -8.38465 23.1635 -23.7559 21.3635 -4.02494 43.3867 -25.1346 43.6814 22.4502 TIMING: 779000 CPU: 2339.89, 0.00297614/step Wall: 2339.89, 0.00297614/step, 3.48953 hours remaining, 207.964844 MB of memory in use. ENERGY: 779000 732.9008 2155.9820 1950.8941 119.5684 -206383.8809 17897.2577 0.0000 0.0000 34385.0781 -149142.1998 300.2934 -183527.2779 -149048.9061 299.3478 -1.1894 27.5888 557008.9715 3.5120 3.3469 PRESSURE: 779200 71.4451 60.783 -18.8393 60.7835 35.7823 56.4151 -18.8405 56.4151 -34.5675 GPRESSURE: 779200 130.456 68.5611 -52.8298 119.285 47.7436 159.93 2.28365 -7.53366 -2.77754 PRESSAVG: 779200 15.0489 49.9111 54.2715 49.9113 50.187 77.0043 54.2716 77.0043 -12.5658 GPRESSAVG: 779200 15.1389 49.4939 54.0598 48.3855 49.1856 76.8519 54.8746 76.8394 -11.243 TIMING: 779200 CPU: 2340.5, 0.00301776/step Wall: 2340.5, 0.00301776/step, 3.53815 hours remaining, 207.964844 MB of memory in use. ENERGY: 779200 762.3833 2154.6247 1973.5618 113.4206 -206453.6066 17964.8816 0.0000 0.0000 34299.0698 -149185.6647 299.5423 -183484.7346 -149092.2751 300.1327 24.2200 58.4739 556439.9024 17.5567 17.6938 PRESSURE: 779400 -107.262 -23.5745 -106.961 -23.5751 -57.7762 -65.4525 -106.961 -65.4517 -186.724 GPRESSURE: 779400 -101.962 -4.75268 -205.602 -111.401 -11.3578 -82.2323 -103.217 -47.6818 -154.105 PRESSAVG: 779400 -7.70664 -40.3301 62.5492 -40.3301 18.7976 1.65111 62.5492 1.65112 -9.32013 GPRESSAVG: 779400 -6.85869 -39.1716 62.0033 -40.3074 19.5147 0.809958 63.2647 3.37631 -10.1031 TIMING: 779400 CPU: 2341.1, 0.00302891/step Wall: 2341.1, 0.00302891/step, 3.55106 hours remaining, 207.964844 MB of memory in use. ENERGY: 779400 759.4513 2128.2089 1951.9986 111.6488 -206000.1856 17663.5102 0.0000 0.0000 34137.9439 -149247.4238 298.1352 -183385.3677 -149158.6117 299.5476 -117.2539 -89.1415 558690.9732 0.5903 0.8509 PRESSURE: 779600 -132.041 81.0066 71.3069 81.0058 147.387 215.103 71.3087 215.102 -102.031 GPRESSURE: 779600 -137.05 115.291 -17.3695 43.305 111.362 167.037 197.858 289.457 28.0607 PRESSAVG: 779600 -31.9778 3.05592 -6.87116 3.05596 52.2972 -34.1185 -6.87116 -34.1184 -10.5661 GPRESSAVG: 779600 -33.5246 2.87691 -6.76517 3.57678 53.0885 -33.7984 -8.26355 -34.1244 -9.88966 TIMING: 779600 CPU: 2341.7, 0.00300308/step Wall: 2341.7, 0.00300308/step, 3.52061 hours remaining, 207.964844 MB of memory in use. ENERGY: 779600 732.8129 2124.1946 1945.3988 118.4048 -206181.6459 17756.5175 0.0000 0.0000 34341.5709 -149162.7463 299.9135 -183504.3172 -149068.8284 299.4201 -28.8952 0.7909 557379.3646 3.2511 3.2247 PRESSURE: 779800 -204.81 2.65128 -115.555 2.65085 -127.307 -32.6638 -115.554 -32.6628 -2.62014 GPRESSURE: 779800 -199.04 -24.2451 -76.4882 -88.1249 -64.1094 -108.458 -131.979 43.8698 34.8672 PRESSAVG: 779800 10.0703 43.8884 57.4389 43.8885 5.03315 -24.657 57.4389 -24.657 19.0286 GPRESSAVG: 779800 9.80891 44.4842 56.745 42.894 4.92886 -25.6172 58.3517 -24.351 19.7536 TIMING: 779800 CPU: 2342.3, 0.00299961/step Wall: 2342.3, 0.00299961/step, 3.51638 hours remaining, 207.964844 MB of memory in use. ENERGY: 779800 721.6003 2102.3847 1955.6050 111.7551 -205969.8586 17648.7442 0.0000 0.0000 34223.8111 -149205.9582 298.8851 -183429.7693 -149108.9298 298.7743 -111.5794 -76.0940 557117.0556 11.3773 11.4971 PRESSURE: 780000 -26.6428 -131.857 90.9254 -131.859 -182.992 -57.4606 90.9249 -57.4596 -195.014 GPRESSURE: 780000 -25.5255 -93.1934 179.622 -199.42 -172.395 -122.483 56.801 23.754 -105.84 PRESSAVG: 780000 49.2539 -29.1658 -25.9212 -29.1658 -55.3759 15.8791 -25.9212 15.8791 -6.49584 GPRESSAVG: 780000 48.9376 -31.7275 -23.7706 -28.0499 -55.4866 14.3239 -26.5683 16.3215 -5.58969 TIMING: 780000 CPU: 2342.9, 0.0029889/step Wall: 2342.9, 0.0029889/step, 3.50366 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: 780000 729.9021 2096.1984 1921.1960 123.5354 -206021.2446 17718.6953 0.0000 0.0000 34283.8093 -149147.9081 299.4090 -183431.7174 -149046.6350 299.4089 -134.8829 -101.2535 557049.7298 -4.2060 -4.0462 PRESSURE: 780200 -47.1161 -128.44 -340.09 -128.439 -65.8643 62.0018 -340.089 62.0024 169.502 GPRESSURE: 780200 -38.7423 -132.743 -271.956 -193.589 -17.1465 45.4796 -243.057 103.029 200.041 PRESSAVG: 780200 15.6999 -89.0696 3.08663 -89.0696 -57.8834 19.4433 3.08676 19.4434 20.7427 GPRESSAVG: 780200 16.8734 -86.7429 1.9879 -90.3579 -57.8774 20.9963 2.66368 18.0573 19.9425 TIMING: 780200 CPU: 2343.5, 0.00299069/step Wall: 2343.5, 0.00299069/step, 3.50558 hours remaining, 207.964844 MB of memory in use. ENERGY: 780200 750.6812 2195.9111 1906.9737 121.7077 -206334.4577 17866.4527 0.0000 0.0000 34491.3717 -149001.3595 301.2217 -183492.7313 -148903.5381 300.0423 18.8406 48.0509 557516.6525 -7.1469 -7.0205 LDB: ============= START OF LOAD BALANCING ============== 2347.01 LDB: ============== END OF LOAD BALANCING =============== 2347.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2347.01 LDB: ============= START OF LOAD BALANCING ============== 2347.32 LDB: Largest compute 4773 load 0.026367 is 22.4% of average load 0.117969 LDB: Average compute 0.001724 is 1.5% of average load 0.117969 LDB: TIME 2347.32 LOAD: AVG 0.117969 MAX 0.212411 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.48 MB LDB: TIME 2347.32 LOAD: AVG 0.117969 MAX 0.212411 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.684 MB LDB: TIME 2347.32 LOAD: AVG 0.117969 MAX 0.212411 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.684 MB LDB: ============== END OF LOAD BALANCING =============== 2347.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2347.32 PRESSURE: 780400 -166.425 126.098 75.3809 126.1 -250.243 11.9107 75.3813 11.9111 36.61 GPRESSURE: 780400 -112.465 36.6946 60.0794 140.472 -198.341 16.5546 25.8481 33.6018 25.9923 PRESSAVG: 780400 -3.32905 -31.8483 -15.0243 -31.8484 19.4663 42.3318 -15.0242 42.3318 -42.9535 GPRESSAVG: 780400 -3.28593 -31.9702 -15.528 -30.841 19.2256 40.2837 -12.4279 42.9474 -42.4219 TIMING: 780400 CPU: 2344.11, 0.00305139/step Wall: 2344.11, 0.00305139/step, 3.57657 hours remaining, 208.855469 MB of memory in use. ENERGY: 780400 714.5631 2170.0404 1938.7026 126.3877 -205899.5679 17483.8815 0.0000 0.0000 34397.1012 -149068.8913 300.3984 -183465.9925 -148965.0729 300.0004 -126.6861 -94.9380 558873.3251 -8.9387 -8.8274 PRESSURE: 780600 204.612 -164.498 11.2645 -164.496 -16.8655 188.846 11.2648 188.846 42.7437 GPRESSURE: 780600 204.548 -204.108 24.2084 -109.262 -9.6577 161.889 43.2229 124.726 114.826 PRESSAVG: 780600 -27.2788 -13.8629 1.57798 -13.863 6.05788 10.2788 1.57798 10.2787 14.375 GPRESSAVG: 780600 -26.6742 -14.2264 0.776606 -14.3891 6.12796 11.7707 0.894359 10.1332 13.5755 TIMING: 780600 CPU: 2344.71, 0.00300879/step Wall: 2344.71, 0.0030088/step, 3.52648 hours remaining, 208.867188 MB of memory in use. ENERGY: 780600 761.2089 2146.3447 1919.5273 110.0082 -206237.9349 18031.9732 0.0000 0.0000 34216.6599 -149052.2127 298.8226 -183268.8726 -148954.0798 299.6801 76.8301 103.2385 559179.6030 -2.2820 -2.3236 PRESSURE: 780800 -134.465 -74.1913 -37.6239 -74.1908 -60.8171 21.4908 -37.6238 21.4895 -349.747 GPRESSURE: 780800 -122.488 -78.1546 -84.3405 8.15764 -11.9921 29.6573 66.6129 129.106 -304.821 PRESSAVG: 780800 -20.8929 -27.1493 -48.1934 -27.1494 53.1838 -22.964 -48.1934 -22.9639 -60.1671 GPRESSAVG: 780800 -20.8417 -29.1335 -46.229 -26.0823 54.0911 -22.1114 -47.3355 -22.9166 -60.4501 TIMING: 780800 CPU: 2345.31, 0.00299275/step Wall: 2345.31, 0.00299275/step, 3.5075 hours remaining, 208.867188 MB of memory in use. ENERGY: 780800 745.6472 2126.6816 1936.4507 126.3840 -206109.1125 17745.1589 0.0000 0.0000 34413.0307 -149015.7594 300.5376 -183428.7901 -148916.6980 300.1278 -181.6767 -146.4336 559388.2240 -9.2921 -9.0669 PRESSURE: 781000 -118.221 30.0934 26.4524 30.0929 48.7099 -57.789 26.4514 -57.7884 -85.0879 GPRESSURE: 781000 -72.6165 54.0547 33.0501 -55.2928 75.92 -38.716 -102.871 -103.629 -60.2903 PRESSAVG: 781000 32.6241 -4.9672 -6.32854 -4.96714 2.57541 -52.901 -6.32855 -52.901 -36.4573 GPRESSAVG: 781000 32.3515 -4.5368 -6.35671 -4.97832 2.33 -53.2418 -7.51324 -53.9742 -36.0714 TIMING: 781000 CPU: 2345.91, 0.00300246/step Wall: 2345.91, 0.00300246/step, 3.51872 hours remaining, 208.867188 MB of memory in use. ENERGY: 781000 732.6989 2103.1584 1924.0463 109.0747 -205770.9167 17636.1110 0.0000 0.0000 34078.6206 -149187.2067 297.6171 -183265.8273 -149087.7854 299.2742 -51.5328 -18.9956 557930.6708 -0.4193 -0.4633 PRESSURE: 781200 255.954 -206.308 -52.0271 -206.307 118.468 -172.266 -52.0275 -172.265 90.9313 GPRESSURE: 781200 244.549 -194.627 2.38513 -99.6271 150.283 -160.209 -61.8141 -140.096 179.393 PRESSAVG: 781200 23.3039 -26.8527 -16.1871 -26.8527 -17.7847 8.85545 -16.1871 8.85543 -9.55582 GPRESSAVG: 781200 22.1254 -26.204 -17.4457 -27.1175 -17.3767 8.15531 -16.2609 7.35568 -9.12884 TIMING: 781200 CPU: 2346.51, 0.00301421/step Wall: 2346.51, 0.00301421/step, 3.53232 hours remaining, 208.867188 MB of memory in use. ENERGY: 781200 762.2056 2099.4764 1918.8111 110.2987 -206694.6823 18267.1093 0.0000 0.0000 34358.1052 -149178.6761 300.0579 -183536.7813 -149080.5340 298.6828 155.1178 191.4085 556935.1789 -1.3455 -1.4601 PRESSURE: 781400 -111.538 52.2467 72.1015 52.2475 -247.282 57.7212 72.1019 57.7188 -291.584 GPRESSURE: 781400 -135.431 121.568 76.7073 -3.16157 -182.917 76.7873 37.196 56.7698 -229.424 PRESSAVG: 781400 -4.45478 -17.8574 -28.4623 -17.8574 29.8002 -27.4386 -28.4624 -27.4386 -65.1215 GPRESSAVG: 781400 -2.85891 -19.0256 -30.0764 -16.6789 28.2087 -27.041 -29.8472 -24.5363 -65.2575 TIMING: 781400 CPU: 2347.11, 0.0030008/step Wall: 2347.11, 0.0030008/step, 3.51644 hours remaining, 208.867188 MB of memory in use. ENERGY: 781400 759.4770 2096.7715 1918.4482 115.2182 -205855.7652 17428.7331 0.0000 0.0000 34344.0513 -149193.0659 299.9351 -183537.1172 -149097.0556 299.0064 -216.8014 -182.5902 557150.5399 -13.2587 -13.3026 PRESSURE: 781600 -175.318 28.7265 -17.9279 28.7267 -95.6672 122.39 -17.9277 122.391 -175.114 GPRESSURE: 781600 -140.898 66.6732 -40.503 16.0229 -33.8649 104.238 -5.47739 48.8979 -188.564 PRESSAVG: 781600 12.2933 -12.5353 7.03797 -12.5353 13.5381 -9.97259 7.03802 -9.97261 -26.4833 GPRESSAVG: 781600 11.9116 -11.3765 7.78833 -13.1385 14.2115 -10.5002 7.26388 -10.3727 -26.5156 TIMING: 781600 CPU: 2347.71, 0.00301441/step Wall: 2347.71, 0.00301441/step, 3.53222 hours remaining, 208.867188 MB of memory in use. ENERGY: 781600 738.3244 2126.9792 1953.6218 113.3430 -205860.5898 17437.1159 0.0000 0.0000 34114.2549 -149376.9505 297.9283 -183491.2054 -149286.0223 298.4414 -148.6999 -121.1089 557045.1659 -0.2173 -0.1309 PRESSURE: 781800 197.667 50.785 -113.305 50.7849 -80.5763 7.49147 -113.304 7.49154 156.358 GPRESSURE: 781800 271.579 53.129 -127.854 44.301 -53.5157 -27.3043 -67.7976 8.79635 169.814 PRESSAVG: 781800 8.53948 -18.9446 10.0116 -18.9446 7.9499 -45.043 10.0117 -45.043 -0.646711 GPRESSAVG: 781800 8.66255 -16.5978 10.7287 -20.2386 7.52121 -47.2854 11.0048 -44.421 -0.730502 TIMING: 781800 CPU: 2348.32, 0.00301369/step Wall: 2348.32, 0.00301369/step, 3.53121 hours remaining, 208.867188 MB of memory in use. ENERGY: 781800 746.6807 2070.6227 1943.7390 116.7100 -206352.1671 18028.4074 0.0000 0.0000 34046.0808 -149399.9264 297.3329 -183446.0072 -149307.0798 298.4275 91.1494 129.2926 557250.0884 5.2809 5.1511 PRESSURE: 782000 72.6227 71.8564 -88.1158 71.8567 -104.649 32.1143 -88.115 32.114 -287.433 GPRESSURE: 782000 68.0258 80.9728 -123.255 52.3126 -83.3352 -13.6399 -70.9048 61.4348 -211.373 PRESSAVG: 782000 52.5742 -37.4868 -16.5684 -37.4868 3.01886 -49.5947 -16.5684 -49.5946 -90.071 GPRESSAVG: 782000 51.9458 -41.5418 -16.2437 -34.5121 3.63514 -45.0559 -15.7499 -52.1594 -90.3604 TIMING: 782000 CPU: 2348.91, 0.00294567/step Wall: 2348.91, 0.00294567/step, 3.45134 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: 782000 749.1864 2055.9424 1938.6041 114.0320 -206452.6353 17794.7149 0.0000 0.0000 34416.5497 -149383.6057 300.5683 -183800.1555 -149281.3696 299.0728 -106.4866 -75.5609 556533.1831 -11.4926 -11.5932 PRESSURE: 782200 98.3657 -156.179 -18.2044 -156.178 -122.03 -181.811 -18.2046 -181.811 -29.3961 GPRESSURE: 782200 115.13 -103.777 -0.0574168 -149.487 -64.6748 -198.294 22.1046 -124.107 -6.77316 PRESSAVG: 782200 25.3439 -56.2435 35.0456 -56.2436 78.3547 -0.446471 35.0455 -0.446496 -78.7977 GPRESSAVG: 782200 24.2314 -54.4994 34.8862 -57.6251 78.6722 -1.67395 34.7845 0.607204 -77.6926 TIMING: 782200 CPU: 2349.5, 0.00298313/step Wall: 2349.5, 0.00298313/step, 3.49507 hours remaining, 208.867188 MB of memory in use. ENERGY: 782200 756.3119 2126.1708 1918.8218 114.7051 -206370.8308 17856.5113 0.0000 0.0000 34079.4428 -149518.8672 297.6243 -183598.3100 -149422.1576 298.4656 -17.6868 14.5608 556993.1346 8.3003 8.4037 PRESSURE: 782400 -119.997 -81.8223 -99.42 -81.822 -124.527 -136.032 -99.4204 -136.033 -131.897 GPRESSURE: 782400 -96.1334 -125.687 -77.0068 -45.8848 -61.1102 -38.2757 -96.5331 -117.246 -108.712 PRESSAVG: 782400 -7.10728 -28.5697 13.4016 -28.5698 -44.4601 32.1428 13.4016 32.1429 -23.5544 GPRESSAVG: 782400 -6.80297 -29.4175 12.6152 -28.0046 -44.5844 31.1346 12.7207 33.3628 -22.9652 TIMING: 782400 CPU: 2350.1, 0.00296599/step Wall: 2350.1, 0.00296599/step, 3.47482 hours remaining, 208.867188 MB of memory in use. ENERGY: 782400 775.5391 2058.7990 1940.0781 102.2199 -206363.0792 17826.1831 0.0000 0.0000 34296.1813 -149364.0787 299.5171 -183660.2599 -149265.0316 299.3540 -125.4734 -88.6518 557916.2121 -25.0406 -24.7842 PRESSURE: 782600 82.9406 -77.0147 -8.28278 -77.0162 -128.201 16.9016 -8.28458 16.9013 -156.603 GPRESSURE: 782600 88.9501 -126.586 -42.6125 -22.4562 -48.2598 88.4546 -69.2103 -81.4856 -135.415 PRESSAVG: 782600 26.1818 -10.3354 -8.41549 -10.3353 22.899 -39.2144 -8.41555 -39.2144 -29.3021 GPRESSAVG: 782600 28.1561 -10.7127 -7.88265 -10.2877 21.8899 -40.5328 -7.59928 -38.9982 -30.4736 TIMING: 782600 CPU: 2350.69, 0.00298338/step Wall: 2350.69, 0.00298338/step, 3.49503 hours remaining, 208.867188 MB of memory in use. ENERGY: 782600 735.3931 2047.2191 1913.6258 112.1864 -206287.1475 17928.4758 0.0000 0.0000 34153.8711 -149396.3763 298.2743 -183550.2474 -149296.5243 299.2362 -67.2878 -31.5747 559474.6990 6.5929 6.5241 PRESSURE: 782800 -107.379 119.47 -92.2794 119.473 92.7628 87.5022 -92.2784 87.5029 -185.842 GPRESSURE: 782800 -56.2933 114.606 -98.2105 94.9461 114.354 57.9054 -85.5331 113.582 -154.858 PRESSAVG: 782800 -24.1955 48.1889 1.42285 48.1889 62.0311 -44.288 1.42285 -44.288 -78.2829 GPRESSAVG: 782800 -24.3136 50.0659 2.54777 45.1192 62.2866 -42.5167 -1.35497 -44.4155 -78.7431 TIMING: 782800 CPU: 2351.29, 0.00299493/step Wall: 2351.29, 0.00299493/step, 3.50839 hours remaining, 208.867188 MB of memory in use. ENERGY: 782800 734.6893 2064.9757 1917.7064 109.2747 -206058.5074 17839.8740 0.0000 0.0000 34094.0054 -149297.9820 297.7514 -183391.9873 -149199.1889 298.2894 -66.8193 -32.2658 560095.1351 -13.4824 -13.5901 PRESSURE: 783000 88.0383 70.5503 108.073 70.5516 -226.239 34.6636 108.074 34.6643 -84.2149 GPRESSURE: 783000 139.85 8.44462 83.1533 75.5198 -186.774 21.8824 141.154 78.8983 -92.3044 PRESSAVG: 783000 -22.0436 52.8475 22.4233 52.8475 32.5015 26.08 22.4234 26.0801 23.9601 GPRESSAVG: 783000 -23.5419 51.5802 22.0644 53.6854 33.0767 25.2015 24.4105 25.8344 25.0071 TIMING: 783000 CPU: 2351.89, 0.00298917/step Wall: 2351.89, 0.00298917/step, 3.50148 hours remaining, 208.867188 MB of memory in use. ENERGY: 783000 726.4268 2120.5792 1923.0856 110.5280 -205871.1714 17584.2284 0.0000 0.0000 34201.0909 -149205.2325 298.6866 -183406.3234 -149110.9248 298.9259 -74.1385 -46.4096 556917.3118 11.4727 11.5140 PRESSURE: 783200 -198.786 -125.944 -33.1658 -125.944 -284.53 54.666 -33.1654 54.6652 -110.273 GPRESSURE: 783200 -244.949 -85.2137 -8.85806 -119.291 -216.729 165.074 30.9623 -2.74216 -24.7464 PRESSAVG: 783200 -27.1261 7.46813 20.66 7.468 53.2966 -30.5354 20.66 -30.5354 -41.6119 GPRESSAVG: 783200 -25.7873 6.55375 19.6497 8.04358 51.8456 -30.1327 20.5816 -28.7705 -41.572 TIMING: 783200 CPU: 2352.49, 0.00298703/step Wall: 2352.49, 0.00298703/step, 3.49881 hours remaining, 208.867188 MB of memory in use. ENERGY: 783200 756.3129 2064.1807 1931.8630 117.1437 -205906.7555 17536.7818 0.0000 0.0000 34211.6925 -149288.7808 298.7792 -183500.4733 -149195.2639 298.5717 -197.8633 -162.1412 559573.8479 -5.1471 -5.1712 PRESSURE: 783400 -297.435 21.5295 13.2137 21.5293 -75.8938 -36.7491 13.2145 -36.7503 -311.226 GPRESSURE: 783400 -269.186 43.5433 -11.4694 -23.8647 -9.76604 39.8003 24.3178 -96.6681 -314.312 PRESSAVG: 783400 -58.253 8.7809 27.1194 8.78084 -28.5969 -2.53178 27.1194 -2.53177 86.1083 GPRESSAVG: 783400 -58.8757 8.63374 27.6123 7.41644 -26.8581 -3.74872 29.6842 -3.28383 85.0796 TIMING: 783400 CPU: 2353.08, 0.00298706/step Wall: 2353.08, 0.00298706/step, 3.49868 hours remaining, 208.867188 MB of memory in use. ENERGY: 783400 725.2118 2108.9371 1910.5652 122.3685 -205751.5246 17406.1437 0.0000 0.0000 34213.0506 -149265.2478 298.7911 -183478.2984 -149163.7759 298.6350 -228.1850 -197.7547 558491.1259 -0.2472 -0.2181 PRESSURE: 783600 160.478 19.374 -64.416 19.3741 -100.432 91.6488 -64.4149 91.6482 -62.2131 GPRESSURE: 783600 227.621 16.6742 -86.5082 96.2779 -105.204 113.779 -119.782 74.3991 -36.4554 PRESSAVG: 783600 -22.372 -13.1868 -20.317 -13.1869 -14.3299 7.26319 -20.3171 7.26319 24.3857 GPRESSAVG: 783600 -20.7968 -11.5652 -20.5788 -12.6683 -15.8176 9.13723 -20.8161 7.30198 23.8719 TIMING: 783600 CPU: 2353.68, 0.00299855/step Wall: 2353.68, 0.00299855/step, 3.51196 hours remaining, 208.867188 MB of memory in use. ENERGY: 783600 736.2680 2057.0392 1957.3626 111.9828 -206159.1608 17837.5560 0.0000 0.0000 34273.6195 -149185.3329 299.3200 -183458.9524 -149088.6491 299.5632 -0.7225 28.6538 557933.8113 -4.1054 -4.2475 PRESSURE: 783800 64.7499 69.7201 -1.72783 69.7209 -202.53 12.2379 -1.72774 12.2355 -121.951 GPRESSURE: 783800 40.3918 83.0061 48.5019 21.2157 -98.3893 -17.046 -25.696 -2.38843 -114.833 PRESSAVG: 783800 10.3893 -66.9504 19.6718 -66.9504 -2.54704 -10.0411 19.6717 -10.0412 8.10531 GPRESSAVG: 783800 8.16465 -66.9695 18.9123 -67.1777 -2.09417 -10.3134 16.879 -10.5075 9.64725 TIMING: 783800 CPU: 2354.28, 0.00298425/step Wall: 2354.28, 0.00298425/step, 3.49506 hours remaining, 208.867188 MB of memory in use. ENERGY: 783800 728.5469 2104.7915 1907.1316 102.9777 -205821.6344 17587.6983 0.0000 0.0000 34297.0368 -149093.4516 299.5246 -183390.4884 -149003.6047 299.4219 -86.5771 -57.6101 556357.9911 5.3158 5.2392 PRESSURE: 784000 -127.177 -60.0551 161.072 -60.0534 -258.425 1.22943 161.073 1.22751 -45.7319 GPRESSURE: 784000 -113.253 3.5878 189.43 -161.129 -248.88 43.1558 127.572 -23.771 18.3252 PRESSAVG: 784000 -16.6856 -40.5993 52.3032 -40.5993 -35.1211 25.2213 52.3032 25.2214 42.6421 GPRESSAVG: 784000 -16.6747 -39.1697 51.6992 -40.4279 -35.2346 26.488 53.2507 25.034 42.2394 TIMING: 784000 CPU: 2354.88, 0.00298521/step Wall: 2354.88, 0.00298521/step, 3.49602 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: 784000 751.2951 2092.9303 1922.9444 107.8830 -205925.6419 17528.6216 0.0000 0.0000 34186.9954 -149334.9721 298.5635 -183521.9675 -149235.2160 299.2997 -143.7779 -114.6025 557051.8604 -3.0548 -3.2233 PRESSURE: 784200 22.0815 -77.6947 86.8881 -77.6943 -337.292 -159.867 86.8879 -159.867 -387.716 GPRESSURE: 784200 -0.365862 17.5008 -11.1594 -35.5364 -283.898 -98.8735 167.234 -206.373 -311.534 PRESSAVG: 784200 59.3905 -33.4861 22.741 -33.486 27.6559 37.8738 22.741 37.8738 -70.5922 GPRESSAVG: 784200 58.6581 -32.7605 25.0638 -32.4941 28.8006 37.3968 21.6363 37.1412 -70.8571 TIMING: 784200 CPU: 2355.47, 0.00297202/step Wall: 2355.47, 0.00297202/step, 3.4804 hours remaining, 208.867188 MB of memory in use. ENERGY: 784200 773.3200 2079.5904 1917.5535 116.2741 -206343.5208 17639.0995 0.0000 0.0000 34391.9523 -149425.7310 300.3535 -183817.6833 -149326.3044 299.6466 -234.3088 -198.5993 556658.2587 5.4848 5.5339 LDB: ============= START OF LOAD BALANCING ============== 2358.99 LDB: ============== END OF LOAD BALANCING =============== 2358.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2358.99 LDB: ============= START OF LOAD BALANCING ============== 2359.29 LDB: Largest compute 4773 load 0.027451 is 23.3% of average load 0.117974 LDB: Average compute 0.001719 is 1.5% of average load 0.117974 LDB: TIME 2359.29 LOAD: AVG 0.117974 MAX 0.208689 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.137 MB LDB: TIME 2359.29 LOAD: AVG 0.117974 MAX 0.208689 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.34 MB LDB: TIME 2359.29 LOAD: AVG 0.117974 MAX 0.208689 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.34 MB LDB: ============== END OF LOAD BALANCING =============== 2359.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2359.3 PRESSURE: 784400 1.36711 184.156 40.3606 184.157 -88.7829 158.244 40.3602 158.245 -231.727 GPRESSURE: 784400 -19.1294 119.698 99.1053 205.72 -36.0375 113.016 -34.517 90.9814 -170.313 PRESSAVG: 784400 71.8428 7.30023 48.9665 7.30024 -45.8817 -2.21521 48.9663 -2.2152 -69.271 GPRESSAVG: 784400 72.7482 4.3454 46.6139 7.45988 -46.9538 -2.32145 49.4674 -2.59645 -68.5909 TIMING: 784400 CPU: 2356.08, 0.00305599/step Wall: 2356.08, 0.00305599/step, 3.57856 hours remaining, 207.707031 MB of memory in use. ENERGY: 784400 773.7698 2062.4095 1910.1109 105.1261 -206343.8462 17726.8070 0.0000 0.0000 34340.4868 -149425.1362 299.9040 -183765.6229 -149327.0185 298.7462 -106.3810 -75.1601 556830.4211 -14.4366 -14.2655 PRESSURE: 784600 230.299 226.797 1.21941 226.796 -464.1 5.33802 1.22015 5.33729 -306.799 GPRESSURE: 784600 253.928 191.013 -11.976 204.5 -413.594 -23.4567 25.0775 85.9906 -272.54 PRESSAVG: 784600 95.7099 68.1995 -3.09515 68.1994 -15.2544 2.14356 -3.09509 2.14358 -73.9483 GPRESSAVG: 784600 96.4802 71.709 -0.430701 66.9379 -15.1602 1.42852 -2.51433 3.24014 -74.8763 TIMING: 784600 CPU: 2356.69, 0.00303509/step Wall: 2356.69, 0.00303509/step, 3.55392 hours remaining, 207.707031 MB of memory in use. ENERGY: 784600 738.6949 2089.7697 1928.1746 111.8908 -205929.6490 17570.1749 0.0000 0.0000 34081.0744 -149409.8698 297.6385 -183490.9442 -149313.4266 299.0016 -180.2000 -144.0687 557625.2277 2.1691 2.1479 PRESSURE: 784800 -98.2303 -207.983 111.184 -207.983 209.905 -136.497 111.184 -136.497 35.4052 GPRESSURE: 784800 -56.6715 -195.073 129.677 -207.937 258.394 -163.44 35.0126 -61.496 72.2886 PRESSAVG: 784800 8.98003 47.2435 -7.9967 47.2436 49.3788 -14.4391 -7.99672 -14.439 -80.6175 GPRESSAVG: 784800 7.31527 43.029 -8.39431 48.872 50.3793 -13.9584 -9.15553 -14.3844 -79.6608 TIMING: 784800 CPU: 2357.3, 0.00302433/step Wall: 2357.3, 0.00302433/step, 3.54116 hours remaining, 207.707031 MB of memory in use. ENERGY: 784800 746.6168 2079.4197 1912.9033 116.9844 -206160.0596 17823.2701 0.0000 0.0000 34255.4673 -149225.3981 299.1615 -183480.8654 -149130.4460 298.9196 49.0266 91.3371 556398.6236 -7.4195 -7.3221 PRESSURE: 785000 59.4015 94.4065 -19.6713 94.4067 -41.0926 41.7811 -19.67 41.7812 35.1923 GPRESSURE: 785000 105.913 128.003 -75.3228 74.2665 -18.0583 103.619 -16.1018 18.969 65.5294 PRESSAVG: 785000 34.2423 23.4322 -31.0777 23.4324 13.0176 -7.95281 -31.0778 -7.95282 -42.5603 GPRESSAVG: 785000 36.5703 25.0788 -33.8078 24.231 12.0123 -8.49672 -30.2074 -9.4274 -44.2252 TIMING: 785000 CPU: 2357.9, 0.00301975/step Wall: 2357.9, 0.00301975/step, 3.53563 hours remaining, 207.707031 MB of memory in use. ENERGY: 785000 747.1704 2055.8673 1905.9660 106.4404 -206381.9234 17905.7520 0.0000 0.0000 34358.9914 -149301.7359 300.0656 -183660.7273 -149203.5694 299.8728 17.8337 51.1279 558510.5666 1.5666 1.4525 PRESSURE: 785200 71.6873 -126.625 123.999 -126.625 13.3854 1.12098 123.997 1.12085 -70.3186 GPRESSURE: 785200 109.73 -113.355 105.138 -35.1563 49.9413 47.6763 148.626 -30.484 -38.5602 PRESSAVG: 785200 26.0014 5.21799 31.1975 5.21797 -3.07068 22.1431 31.1975 22.1431 -14.3751 GPRESSAVG: 785200 26.3905 3.71343 32.4016 5.01074 -3.92075 22.1477 31.388 22.5754 -13.4043 TIMING: 785200 CPU: 2358.5, 0.00299723/step Wall: 2358.5, 0.00299723/step, 3.50908 hours remaining, 207.707031 MB of memory in use. ENERGY: 785200 744.6996 2076.5899 1900.0946 108.1519 -206233.1281 17973.6963 0.0000 0.0000 34003.9223 -149425.9735 296.9647 -183429.8959 -149335.2023 299.1477 4.9181 40.3704 558627.7253 2.8519 3.0218 PRESSURE: 785400 91.8745 15.9627 31.756 15.9636 -8.98399 86.2965 31.7554 86.2968 -59.5703 GPRESSURE: 785400 129.924 -1.83959 48.4817 26.1887 24.4743 123.112 42.7953 88.5354 -31.0226 PRESSAVG: 785400 62.2711 -17.4085 44.4007 -17.4084 -22.9877 53.7708 44.4008 53.7708 -13.1482 GPRESSAVG: 785400 60.7314 -15.2657 45.641 -17.746 -21.1242 54.1636 43.1914 53.4005 -13.9303 TIMING: 785400 CPU: 2359.1, 0.00302101/step Wall: 2359.1, 0.00302101/step, 3.53676 hours remaining, 207.707031 MB of memory in use. ENERGY: 785400 724.8405 2040.7712 1910.4008 107.9843 -206269.0729 17923.9773 0.0000 0.0000 34071.0068 -149490.0920 297.5506 -183561.0988 -149398.1386 298.3076 7.7734 41.1253 558225.3621 8.7118 8.5589 PRESSURE: 785600 77.4473 60.8457 -181.162 60.8458 -73.5135 58.9416 -181.163 58.9438 -111.624 GPRESSURE: 785600 130.472 110.602 -186.058 -22.647 -76.2079 82.0751 -199.206 119.023 -57.0096 PRESSAVG: 785600 33.4325 -69.5569 -41.2364 -69.5567 -17.4074 -19.9619 -41.2364 -19.9619 -11.022 GPRESSAVG: 785600 33.1918 -69.2205 -41.9829 -70.1643 -18.2663 -21.3462 -40.0641 -17.035 -10.2398 TIMING: 785600 CPU: 2359.7, 0.0030053/step Wall: 2359.7, 0.0030053/step, 3.51821 hours remaining, 207.964844 MB of memory in use. ENERGY: 785600 725.3654 2045.0026 1906.3121 99.7795 -206422.3995 17854.0278 0.0000 0.0000 34261.4116 -149530.5006 299.2134 -183791.9121 -149441.9508 298.3939 -35.8966 -0.9153 558866.4342 1.6677 1.5619 PRESSURE: 785800 94.4792 -90.8725 -108.943 -90.8725 -35.5831 119.309 -108.943 119.31 186.705 GPRESSURE: 785800 105.861 8.77811 -200.722 -95.5263 -18.3786 66.6601 -77.069 143.105 266.373 PRESSAVG: 785800 20.0801 -4.65985 -61.3453 -4.65993 -24.8654 25.659 -61.3453 25.6589 11.5277 GPRESSAVG: 785800 19.5652 -6.61772 -62.7304 -4.86925 -24.6627 26.1114 -60.3374 24.2509 12.2502 TIMING: 785800 CPU: 2360.31, 0.00301292/step Wall: 2360.31, 0.00301292/step, 3.52696 hours remaining, 207.964844 MB of memory in use. ENERGY: 785800 669.9946 2067.3767 1922.1582 102.9753 -206441.1774 17993.1307 0.0000 0.0000 34231.6446 -149453.8972 298.9535 -183685.5419 -149366.5458 298.7595 81.8672 117.9518 559066.9393 2.2474 2.3842 PRESSURE: 786000 -202.049 -8.64976 -79.5746 -8.64934 -249.445 60.9372 -79.5754 60.9374 82.2751 GPRESSURE: 786000 -215.072 40.0574 -105.766 -30.6878 -191.685 119.122 -69.1364 53.1441 145.092 PRESSAVG: 786000 44.9876 19.3685 -37.9358 19.3686 -32.505 19.4458 -37.9359 19.4458 -16.1587 GPRESSAVG: 786000 44.1485 19.109 -37.4789 19.5988 -32.465 20.7007 -39.1968 17.7085 -15.3838 TIMING: 786000 CPU: 2360.91, 0.00301805/step Wall: 2360.91, 0.00301805/step, 3.53279 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: 786000 759.8388 2055.1425 1910.6396 111.2255 -206294.1414 17769.9437 0.0000 0.0000 34086.6500 -149600.7014 297.6872 -183687.3513 -149508.8976 297.7309 -123.0729 -87.2217 558971.1476 -1.2254 -1.2334 PRESSURE: 786200 69.5414 19.9374 -56.4154 19.9364 -78.1233 -72.8216 -56.4148 -72.8224 66.2302 GPRESSURE: 786200 50.918 21.1666 -46.2689 66.4677 23.0559 -71.161 -2.51892 -30.6678 95.0209 PRESSAVG: 786200 -26.5878 5.49632 -92.0241 5.49624 46.6068 -14.8122 -92.0241 -14.8122 -34.73 GPRESSAVG: 786200 -24.8683 6.76057 -93.4979 4.99006 46.3142 -16.0247 -90.8262 -14.7032 -36.5725 TIMING: 786200 CPU: 2361.51, 0.00301582/step Wall: 2361.51, 0.00301582/step, 3.53001 hours remaining, 207.964844 MB of memory in use. ENERGY: 786200 732.9640 2073.1897 1894.7117 122.8573 -206460.6593 17957.5237 0.0000 0.0000 34113.1330 -149566.2799 297.9185 -183679.4129 -149467.2546 298.2505 19.2161 56.3316 558389.7728 -4.9037 -5.0422 PRESSURE: 786400 -102.852 -26.2701 -90.7033 -26.2706 -113.866 -13.5287 -90.7051 -13.5291 113.879 GPRESSURE: 786400 -119.071 -60.7488 -78.2935 7.64643 -7.04474 66.347 -114.421 5.78266 134.595 PRESSAVG: 786400 -18.4695 12.3843 -8.48363 12.3841 61.4255 17.7886 -8.48371 17.7886 -27.2847 GPRESSAVG: 786400 -18.4193 12.0554 -6.81085 11.1769 60.772 20.3062 -10.7239 16.9756 -26.1317 TIMING: 786400 CPU: 2362.12, 0.00302554/step Wall: 2362.12, 0.00302554/step, 3.54123 hours remaining, 207.964844 MB of memory in use. ENERGY: 786400 735.0020 1979.5264 1930.3865 117.3062 -206335.3808 17863.6659 0.0000 0.0000 34036.6039 -149672.8899 297.2501 -183709.4937 -149574.5225 298.4220 -34.2799 2.8265 558158.1854 5.2238 5.4070 PRESSURE: 786600 24.0918 4.99592 87.334 4.99548 330.288 64.1217 87.3362 64.1208 -19.915 GPRESSURE: 786600 74.8199 44.263 33.9639 -24.2928 286.356 60.5092 82.1298 90.7456 62.518 PRESSAVG: 786600 -14.6452 50.6389 -16.5605 50.639 52.0343 36.1955 -16.5605 36.1955 2.47257 GPRESSAVG: 786600 -13.91 50.1975 -15.8453 51.9223 53.4461 33.0865 -18.1782 35.6208 0.147565 TIMING: 786600 CPU: 2362.72, 0.00300853/step Wall: 2362.72, 0.00300853/step, 3.52115 hours remaining, 207.964844 MB of memory in use. ENERGY: 786600 768.6320 2050.0714 1955.1062 115.6649 -206783.5509 18155.4276 0.0000 0.0000 34094.4089 -149644.2398 297.7550 -183738.6487 -149549.9048 297.9088 111.4884 141.2311 556775.2135 13.2872 13.2279 PRESSURE: 786800 144.25 -19.1979 85.6575 -19.1982 139.225 -86.3563 85.6579 -86.3572 149.272 GPRESSURE: 786800 230.97 -73.492 141.206 -50.9206 136.201 -124.072 117.491 -61.0199 160.467 PRESSAVG: 786800 -55.679 24.6612 -46.1881 24.6612 72.7617 26.028 -46.1881 26.0281 -52.3747 GPRESSAVG: 786800 -56.4372 27.1088 -47.8033 23.3957 71.1953 25.3851 -42.7178 28.8355 -49.6873 TIMING: 786800 CPU: 2363.33, 0.00303919/step Wall: 2363.33, 0.00303919/step, 3.55687 hours remaining, 207.964844 MB of memory in use. ENERGY: 786800 703.4046 2018.2061 1943.8322 115.0940 -206433.6514 18060.0065 0.0000 0.0000 34130.4594 -149462.6486 298.0698 -183593.1080 -149367.0054 297.9713 144.2487 175.8792 557382.8646 -11.7640 -11.6431 PRESSURE: 787000 -37.8231 65.0416 -109.843 65.0406 -9.87395 48.4943 -109.844 48.4937 187.069 GPRESSURE: 787000 4.03516 -14.1873 -89.7817 190.892 54.8501 34.0137 -107.74 162.885 169.823 PRESSAVG: 787000 -53.8662 5.56567 -34.4196 5.56565 36.3917 11.9149 -34.4196 11.9148 -4.69442 GPRESSAVG: 787000 -53.5282 4.73925 -33.0666 7.00824 37.4758 12.4268 -36.9813 10.9261 -5.8366 TIMING: 787000 CPU: 2363.94, 0.00304507/step Wall: 2363.94, 0.00304507/step, 3.56357 hours remaining, 207.964844 MB of memory in use. ENERGY: 787000 729.8675 2015.0044 1925.9578 117.7706 -206166.8331 17736.1427 0.0000 0.0000 34116.9372 -149525.1530 297.9517 -183642.0901 -149426.7201 299.0334 46.4574 76.2362 556619.5451 -7.3897 -7.2963 PRESSURE: 787200 -300.028 -14.3897 33.0959 -14.3904 84.2759 53.7038 33.0957 53.7042 315.005 GPRESSURE: 787200 -267.511 -21.404 9.13741 -20.6391 139.887 17.5245 14.4522 54.1395 323.463 PRESSAVG: 787200 -81.698 -23.6797 19.945 -23.6797 1.90021 -15.4161 19.9449 -15.4161 117.385 GPRESSAVG: 787200 -81.6129 -24.2293 16.8775 -22.5229 1.62428 -14.7989 21.3362 -16.8799 116.972 TIMING: 787200 CPU: 2364.54, 0.00302351/step Wall: 2364.54, 0.00302351/step, 3.53818 hours remaining, 207.964844 MB of memory in use. ENERGY: 787200 725.7845 2026.1610 1902.6484 109.9283 -206332.7651 17896.8609 0.0000 0.0000 34124.2240 -149547.1580 298.0153 -183671.3820 -149440.0368 298.5630 33.0844 65.2798 556745.4161 12.5292 12.3279 PRESSURE: 787400 -191.828 -66.6512 149.104 -66.6519 -24.2044 -15.9332 149.104 -15.9351 -5.37014 GPRESSURE: 787400 -80.4404 -37.788 151.636 -39.1776 -2.26735 67.4066 194.168 -51.5241 -51.6594 PRESSAVG: 787400 -120.048 13.988 46.5445 13.9879 6.12721 -11.2622 46.5445 -11.2622 77.9669 GPRESSAVG: 787400 -120.341 13.7688 47.7566 12.0182 5.35147 -10.2486 46.1002 -8.85559 79.21 TIMING: 787400 CPU: 2365.14, 0.00299357/step Wall: 2365.14, 0.00299357/step, 3.50297 hours remaining, 207.964844 MB of memory in use. ENERGY: 787400 702.7906 2019.5899 1916.4804 122.2994 -206103.4961 17701.4415 0.0000 0.0000 34217.7218 -149423.1724 298.8319 -183640.8943 -149324.6515 298.7209 -73.8008 -44.7891 556636.7083 -11.9846 -11.9264 PRESSURE: 787600 23.0387 19.7177 -126.597 19.7182 161.794 88.554 -126.597 88.5534 268.968 GPRESSURE: 787600 76.431 58.5852 -77.2456 53.8392 180.246 41.8102 -94.1904 94.8733 291.394 PRESSAVG: 787600 -35.8056 -51.325 -13.2452 -51.325 5.91399 9.27985 -13.2452 9.27991 28.2432 GPRESSAVG: 787600 -34.8024 -52.9039 -11.6165 -49.8794 5.51416 9.09871 -13.6722 8.31985 27.3428 TIMING: 787600 CPU: 2365.74, 0.00298191/step Wall: 2365.74, 0.00298191/step, 3.48917 hours remaining, 207.964844 MB of memory in use. ENERGY: 787600 715.2710 2047.8020 1935.8716 117.2766 -206600.3511 18085.3254 0.0000 0.0000 34297.6563 -149401.1481 299.5300 -183698.8044 -149307.5366 298.3262 151.2669 182.6901 557183.0319 -0.5495 -0.6485 PRESSURE: 787800 -184.556 -44.6066 -129.419 -44.6066 169.037 161.256 -129.419 161.254 -132.572 GPRESSURE: 787800 -135.005 13.7344 -94.0298 -113.63 133.928 153.315 -113.24 104.311 -37.3642 PRESSAVG: 787800 -13.1402 -102.08 3.10858 -102.08 53.5783 38.2371 3.10868 38.237 6.48981 GPRESSAVG: 787800 -15.0535 -100.877 2.92422 -104.891 53.7937 37.7305 2.80779 38.9459 8.9561 TIMING: 787800 CPU: 2366.34, 0.00299851/step Wall: 2366.34, 0.00299851/step, 3.50843 hours remaining, 207.964844 MB of memory in use. ENERGY: 787800 726.3173 2047.3316 1923.6064 103.7400 -206324.5042 17903.6663 0.0000 0.0000 34317.4022 -149302.4404 299.7024 -183619.8426 -149198.4444 299.1046 -49.3637 -12.8138 558473.6986 15.6426 15.8987 PRESSURE: 788000 -116.673 3.25122 27.4358 3.2512 117.151 -82.7115 27.4355 -82.7108 -238.27 GPRESSURE: 788000 -73.5103 27.8819 73.3368 73.8672 153.572 -94.3004 30.3038 -112.319 -217.844 PRESSAVG: 788000 33.583 15.2265 45.6109 15.2264 49.8131 27.9234 45.6109 27.9233 -75.4479 GPRESSAVG: 788000 35.0689 17.8551 43.8687 16.2284 50.478 26.8795 45.3611 25.6317 -77.704 TIMING: 788000 CPU: 2366.93, 0.00297902/step Wall: 2366.93, 0.00297902/step, 3.48545 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: 788000 744.7375 2076.7242 1913.0457 122.9462 -206290.4788 17820.1184 0.0000 0.0000 34335.4198 -149277.4870 299.8598 -183612.9068 -149181.8013 299.6812 -79.2640 -45.9275 558773.8582 2.6494 2.6143 PRESSURE: 788200 -117.78 -18.5304 41.1311 -18.531 147.008 52.8015 41.1325 52.7991 -150.842 GPRESSURE: 788200 -78.5807 2.27731 34.4789 21.861 128.785 -38.0974 0.868205 100.155 -83.1841 PRESSAVG: 788200 -56.4047 -39.7797 -47.1186 -39.7797 124.911 18.6765 -47.1185 18.6765 -78.1939 GPRESSAVG: 788200 -56.0284 -40.8881 -45.7519 -39.7792 124.171 18.9393 -46.7711 20.0265 -78.2373 TIMING: 788200 CPU: 2367.53, 0.00297543/step Wall: 2367.53, 0.00297543/step, 3.48109 hours remaining, 207.964844 MB of memory in use. ENERGY: 788200 750.5971 2085.6843 1949.8895 104.9678 -206333.3760 17834.2329 0.0000 0.0000 34427.0994 -149180.9050 300.6604 -183608.0044 -149084.2430 299.2293 -40.5379 -10.9934 558758.7481 -3.2293 -3.3647 LDB: ============= START OF LOAD BALANCING ============== 2371.05 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2371.05 LDB: =============== DONE WITH MIGRATION ================ 2371.05 LDB: ============= START OF LOAD BALANCING ============== 2371.35 LDB: Largest compute 4773 load 0.026419 is 22.4% of average load 0.117911 LDB: Average compute 0.001729 is 1.5% of average load 0.117911 LDB: TIME 2371.35 LOAD: AVG 0.117911 MAX 0.207657 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.883 MB LDB: TIME 2371.35 LOAD: AVG 0.117911 MAX 0.207657 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.883 MB LDB: TIME 2371.35 LOAD: AVG 0.117911 MAX 0.207657 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.883 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2371.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2371.36 PRESSURE: 788400 223.703 133.298 -20.6398 133.3 79.3316 -66.2904 -20.6409 -66.2925 90.4175 GPRESSURE: 788400 350.532 166.064 -29.4963 87.2365 68.7143 -70.2474 -57.4427 29.8101 67.8243 PRESSAVG: 788400 64.6294 -78.0297 -14.9999 -78.0297 -27.6629 -6.95645 -15 -6.95657 3.71371 GPRESSAVG: 788400 63.3557 -80.1985 -17.4894 -77.851 -26.4475 -6.68931 -13.9217 -6.4463 3.4468 TIMING: 788400 CPU: 2368.14, 0.00307375/step Wall: 2368.14, 0.00307375/step, 3.59595 hours remaining, 208.222656 MB of memory in use. ENERGY: 788400 772.9514 2091.7445 1947.3934 111.3083 -206423.2929 18319.8906 0.0000 0.0000 34063.4376 -149116.5670 297.4845 -183180.0046 -149024.1442 299.2050 131.1505 162.3568 558335.2861 13.5601 13.4517 PRESSURE: 788600 2.18264 -21.4768 -87.1941 -21.4782 -268.616 -134.277 -87.1939 -134.278 98.0056 GPRESSURE: 788600 -24.6649 -127.705 -160.589 -43.0878 -210.52 -109.96 -107.751 -140.486 175.699 PRESSAVG: 788600 -1.24814 -0.297846 -24.9378 -0.297849 46.3889 -1.93707 -24.9378 -1.93708 38.9756 GPRESSAVG: 788600 -0.380125 -0.713717 -22.6875 0.0362869 45.1802 -2.11578 -26.2242 -2.75929 38.8614 TIMING: 788600 CPU: 2368.74, 0.00297713/step Wall: 2368.74, 0.00297713/step, 3.48275 hours remaining, 208.367188 MB of memory in use. ENERGY: 788600 759.5649 2082.4585 1950.8730 111.8551 -206266.4362 17793.8315 0.0000 0.0000 34342.5534 -149225.2999 299.9221 -183567.8533 -149133.8063 299.2144 -56.1426 -19.8285 558200.8131 28.0388 27.8872 PRESSURE: 788800 249.494 84.3492 -35.7877 84.3485 31.7354 -117.784 -35.7882 -117.785 191.308 GPRESSURE: 788800 293.236 52.7011 -52.9599 51.241 42.3728 -129.379 -6.71187 -166.499 231.329 PRESSAVG: 788800 -24.0716 -0.480161 -33.7175 -0.480149 23.3764 -11.7649 -33.7176 -11.7649 29.5664 GPRESSAVG: 788800 -23.8211 0.766083 -34.3894 -2.00663 23.904 -11.1717 -32.4782 -12.7838 28.8063 TIMING: 788800 CPU: 2369.34, 0.00302536/step Wall: 2369.34, 0.00302536/step, 3.539 hours remaining, 208.367188 MB of memory in use. ENERGY: 788800 766.2160 2069.1705 1899.4162 118.4290 -206404.1026 18155.2197 0.0000 0.0000 34093.1334 -149302.5178 297.7438 -183395.6512 -149216.4162 298.7297 157.5127 188.9792 556080.5633 9.6237 9.6297 PRESSURE: 789000 -597.227 -84.7641 34.1423 -84.7639 133.158 -39.2822 34.1426 -39.2831 -94.7394 GPRESSURE: 789000 -571.519 -48.1051 51.5054 -239.515 164.004 -45.9889 23.8308 -10.5156 -51.805 PRESSAVG: 789000 37.9024 -7.99368 24.6261 -7.99368 -19.5205 -12.8804 24.626 -12.8804 -6.60078 GPRESSAVG: 789000 37.5692 -8.65677 25.324 -5.964 -20.779 -10.2032 24.9393 -13.248 -5.53868 TIMING: 789000 CPU: 2369.94, 0.00297165/step Wall: 2369.94, 0.00297165/step, 3.476 hours remaining, 208.367188 MB of memory in use. ENERGY: 789000 726.0500 2130.6610 1950.4423 118.4267 -205845.7212 17542.8869 0.0000 0.0000 34315.6316 -149061.6228 299.6869 -183377.2544 -148964.6413 299.0747 -186.2696 -153.1068 558541.8284 3.9270 3.7505 PRESSURE: 789200 133.77 -242.244 82.5639 -242.244 342.278 121.217 82.5625 121.217 254.324 GPRESSURE: 789200 76.4447 -175.244 138.231 -214.697 408.621 57.5108 37.6821 145.007 359.618 PRESSAVG: 789200 -28.3102 -14.4866 42.7595 -14.4866 35.4449 26.8167 42.7596 26.8166 29.5213 GPRESSAVG: 789200 -27.8999 -12.5683 42.6993 -15.1905 36.2944 24.4988 42.2938 28.5107 28.2212 TIMING: 789200 CPU: 2370.53, 0.00296342/step Wall: 2370.53, 0.00296342/step, 3.46621 hours remaining, 208.367188 MB of memory in use. ENERGY: 789200 726.3690 2081.6488 1925.4832 100.5562 -206528.2565 18109.5183 0.0000 0.0000 34520.2867 -149064.3943 301.4742 -183584.6810 -148970.9275 299.7924 243.4571 281.5609 556232.8178 12.2187 12.2052 PRESSURE: 789400 -64.2481 143.372 -12.966 143.371 153.977 -8.05968 -12.9657 -8.06023 -175.439 GPRESSURE: 789400 -45.4591 155.867 -31.7471 112.373 177.818 105.364 -38.257 -124.561 -118.32 PRESSAVG: 789400 -71.7575 1.066 61.6737 1.06604 53.6765 19.7279 61.6738 19.7277 20.5841 GPRESSAVG: 789400 -72.1921 -1.2241 62.3929 1.50783 53.2825 19.8584 61.5675 20.123 21.7252 TIMING: 789400 CPU: 2371.13, 0.00300236/step Wall: 2371.13, 0.00300236/step, 3.5116 hours remaining, 208.367188 MB of memory in use. ENERGY: 789400 739.3002 2124.9924 1907.1019 101.8022 -206350.6685 17955.2264 0.0000 0.0000 34340.0544 -149182.1909 299.9002 -183522.2454 -149087.6161 299.8109 -28.5701 4.6796 557495.6983 0.8343 0.9385 PRESSURE: 789600 -10.3731 -125.288 25.4986 -125.288 -21.8446 138.541 25.4978 138.541 4.87281 GPRESSURE: 789600 74.0758 -119.758 8.34643 -87.8186 -14.5555 -18.7064 12.4702 125.25 21.7314 PRESSAVG: 789600 -2.75784 10.7006 -32.385 10.7006 -28.7478 27.0106 -32.3849 27.0107 5.69767 GPRESSAVG: 789600 -2.17278 9.96086 -32.4972 13.1807 -27.9829 28.0438 -34.3332 26.5372 4.81681 TIMING: 789600 CPU: 2371.73, 0.00301455/step Wall: 2371.73, 0.00301455/step, 3.52568 hours remaining, 208.367188 MB of memory in use. ENERGY: 789600 822.3684 2050.0724 1946.6580 133.3771 -206387.2794 17872.6796 0.0000 0.0000 34262.3212 -149299.8027 299.2214 -183562.1239 -149205.3834 299.5754 -9.1150 27.0839 556510.6482 -8.6026 -8.4463 PRESSURE: 789800 -52.6961 106.301 -20.6441 106.301 49.2357 123.386 -20.6425 123.387 -213.415 GPRESSURE: 789800 -27.0169 87.1354 -100.775 61.556 46.3954 193.084 34.0906 9.01296 -153.976 PRESSAVG: 789800 10.0137 21.2865 30.4924 21.2866 31.108 40.3264 30.4924 40.3264 4.89425 GPRESSAVG: 789800 11.4556 23.5936 31.8016 16.876 30.1729 41.1855 31.1724 39.9054 3.55818 TIMING: 789800 CPU: 2372.33, 0.00297274/step Wall: 2372.33, 0.00297274/step, 3.47662 hours remaining, 208.367188 MB of memory in use. ENERGY: 789800 756.0489 2106.3095 1922.7897 116.3449 -205922.1967 17745.0929 0.0000 0.0000 34035.8238 -149239.7869 297.2433 -183275.6108 -149143.6563 299.6583 -72.2918 -44.8657 556894.1485 15.3386 15.0622 PRESSURE: 790000 -320.477 -193.135 -43.464 -193.136 -259.994 211.034 -43.4644 211.033 -170.661 GPRESSURE: 790000 -303.515 -183.127 -130.355 -159.342 -185.895 247.234 43.4259 143.053 -159.577 PRESSAVG: 790000 -21.607 -47.3089 28.9064 -47.3088 -33.0439 -31.012 28.9063 -31.0121 54.5201 GPRESSAVG: 790000 -21.9953 -47.9667 27.9777 -45.5406 -33.0512 -34.1687 30.1099 -30.4327 54.486 TIMING: 790000 CPU: 2372.92, 0.00295558/step Wall: 2372.92, 0.00295558/step, 3.45639 hours remaining, 208.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 790000 757.6136 2068.9150 1917.5980 105.6080 -206266.7536 17745.9136 0.0000 0.0000 34343.8342 -149327.2711 299.9332 -183671.1054 -149225.0940 299.3194 -250.3775 -216.3292 558534.2254 -0.0436 -0.1868 PRESSURE: 790200 172.66 140.276 -150.109 140.277 -85.9816 11.218 -150.11 11.2169 -169.97 GPRESSURE: 790200 171.689 142.566 -162.535 122.213 -41.4652 26.7023 -120.075 -43.0338 -118.68 PRESSAVG: 790200 -33.9761 21.8081 -7.04935 21.808 1.31084 -15.3742 -7.04927 -15.3742 38.1732 GPRESSAVG: 790200 -35.3084 22.5076 -7.27196 21.6706 1.01368 -14.3942 -9.21219 -15.546 38.7386 TIMING: 790200 CPU: 2373.51, 0.0029676/step Wall: 2373.51, 0.0029676/step, 3.47028 hours remaining, 208.367188 MB of memory in use. ENERGY: 790200 758.4156 2077.7668 1917.3171 103.8876 -206525.7031 17873.9992 0.0000 0.0000 34096.4993 -149697.8174 297.7732 -183794.3167 -149605.8068 298.7513 -27.7639 3.8480 556073.6467 1.8360 1.4813 PRESSURE: 790400 222.935 -34.7545 10.4835 -34.7549 141.318 -116.976 10.4838 -116.976 131.038 GPRESSURE: 790400 317.89 -86.7036 5.42546 -34.2259 114.935 -173.94 -44.3745 -122.817 162.716 PRESSAVG: 790400 4.65303 -5.4762 -36.5714 -5.47627 4.51545 -28.4354 -36.5713 -28.4354 12.4667 GPRESSAVG: 790400 5.79822 -7.31593 -37.0426 -5.65724 3.30178 -30.1341 -35.0484 -28.3862 12.0823 TIMING: 790400 CPU: 2374.11, 0.00296881/step Wall: 2374.11, 0.00296881/step, 3.47153 hours remaining, 208.367188 MB of memory in use. ENERGY: 790400 732.5628 2038.1786 1934.6690 115.6194 -206887.4791 18011.1362 0.0000 0.0000 34320.5759 -149734.7374 299.7301 -184055.3133 -149633.9577 298.3392 165.0973 198.5136 554149.1966 7.2117 7.0608 PRESSURE: 790600 150.932 21.6881 -44.2182 21.689 48.5795 11.5788 -44.2171 11.5781 111.829 GPRESSURE: 790600 202.742 -81.1519 -92.9576 -51.9233 82.6669 56.8849 31.2926 21.3549 128.304 PRESSAVG: 790600 48.1903 -29.4214 -23.4844 -29.4214 -82.6466 -60.1098 -23.4844 -60.1098 22.8865 GPRESSAVG: 790600 48.8118 -27.9192 -24.3094 -27.9976 -83.8697 -59.171 -23.7384 -61.2193 22.9389 TIMING: 790600 CPU: 2374.7, 0.00296214/step Wall: 2374.7, 0.00296214/step, 3.46356 hours remaining, 208.367188 MB of memory in use. ENERGY: 790600 735.6625 2003.4893 1942.9981 105.7303 -206742.5806 18120.1235 0.0000 0.0000 34218.3023 -149616.2746 298.8369 -183834.5769 -149520.0760 298.4122 103.7804 137.9042 556660.6081 -3.8566 -4.0397 PRESSURE: 790800 258.224 123.078 144.845 123.078 -29.7917 -200.755 144.844 -200.754 146.708 GPRESSURE: 790800 345.937 118.82 99.159 58.4241 -1.31136 -123.295 106.04 -256.686 139.81 PRESSAVG: 790800 63.0373 33.2341 36.7129 33.2341 -45.2376 32.4916 36.7129 32.4915 -12.912 GPRESSAVG: 790800 62.3076 33.2234 35.62 31.5422 -42.6717 32.372 37.2002 34.2042 -14.3215 TIMING: 790800 CPU: 2375.3, 0.00299992/step Wall: 2375.3, 0.00299992/step, 3.50758 hours remaining, 208.367188 MB of memory in use. ENERGY: 790800 754.7601 2057.8692 1946.8136 108.2415 -206962.7696 18194.2541 0.0000 0.0000 34264.0043 -149636.8267 299.2361 -183900.8310 -149543.0168 298.2745 125.0465 161.4786 556024.7703 1.6292 1.7714 PRESSURE: 791000 -50.8185 -84.2545 81.5066 -84.2551 -202.594 38.0984 81.5068 38.0985 92.3198 GPRESSURE: 791000 -12.0285 -147.886 121.304 -82.6297 -244.586 47.663 91.5144 32.3792 211.259 PRESSAVG: 791000 53.4215 21.6804 67.8595 21.6805 -82.5799 50.5045 67.8596 50.5045 -33.5943 GPRESSAVG: 791000 54.0013 21.4289 68.9331 23.6172 -83.1064 51.6419 68.6452 47.9718 -33.3914 TIMING: 791000 CPU: 2375.89, 0.00297235/step Wall: 2375.89, 0.00297235/step, 3.47517 hours remaining, 208.367188 MB of memory in use. ENERGY: 791000 738.2463 2130.5731 1919.1493 114.9437 -206103.0007 17680.4050 0.0000 0.0000 34154.4489 -149365.2344 298.2793 -183519.6833 -149271.1858 297.9727 -53.6977 -15.1184 557282.3234 -20.9176 -20.8322 PRESSURE: 791200 -85.2238 117.193 148.456 117.193 -163.797 25.2059 148.456 25.2049 -239.686 GPRESSURE: 791200 -73.7119 92.5021 174.918 29.2374 -126.557 55.9982 120.883 13.1741 -208.313 PRESSAVG: 791200 -9.478 29.1336 -15.3271 29.1336 9.29335 -30.3087 -15.3272 -30.3088 1.86321 GPRESSAVG: 791200 -10.5617 30.6601 -15.9459 26.2636 8.32476 -29.2146 -15.4758 -27.707 3.39996 TIMING: 791200 CPU: 2376.49, 0.00296838/step Wall: 2376.49, 0.00296838/step, 3.47037 hours remaining, 208.367188 MB of memory in use. ENERGY: 791200 754.2957 2127.1792 1932.6551 118.6976 -205662.8232 17490.1169 0.0000 0.0000 34210.8608 -149029.0178 298.7720 -183239.8786 -148930.2868 298.6114 -162.9020 -136.1941 558496.1989 0.5595 0.3877 PRESSURE: 791400 -243 -80.4977 -62.8878 -80.4975 -80.539 11.9916 -62.8878 11.9908 -12.3903 GPRESSURE: 791400 -172.503 -76.067 -64.0554 -133.006 -36.7806 -50.9756 -14.3632 47.8611 -29.7587 PRESSAVG: 791400 13.8851 -55.9649 -21.9928 -55.9649 -24.3789 -30.4199 -21.9927 -30.4199 48.4605 GPRESSAVG: 791400 13.4587 -55.4289 -18.6955 -56.0394 -24.1294 -30.8195 -22.9313 -30.9703 48.5049 TIMING: 791400 CPU: 2377.08, 0.00297258/step Wall: 2377.08, 0.00297258/step, 3.47511 hours remaining, 208.367188 MB of memory in use. ENERGY: 791400 715.3695 2083.1590 1949.6621 110.7393 -205591.4731 17577.7430 0.0000 0.0000 34189.5695 -148965.2307 298.5860 -183154.8002 -148864.9695 299.5588 -111.9765 -79.6807 558503.5185 12.6556 12.6114 PRESSURE: 791600 304.471 -111.156 14.998 -111.156 89.6674 88.3533 14.9984 88.3541 266.251 GPRESSURE: 791600 377.182 -137.45 -0.989608 -75.0186 118.599 127.793 59.8547 18.9931 266.558 PRESSAVG: 791600 9.22513 -19.4129 40.7186 -19.4129 5.64984 26.466 40.7186 26.466 18.1311 GPRESSAVG: 791600 10.4341 -20.3378 40.1942 -17.4121 6.01595 25.6493 41.9965 25.2695 16.5474 TIMING: 791600 CPU: 2377.68, 0.00298459/step Wall: 2377.68, 0.00298459/step, 3.48899 hours remaining, 208.367188 MB of memory in use. ENERGY: 791600 698.5056 2057.4798 1913.6805 107.6873 -206102.0090 18111.0557 0.0000 0.0000 34335.6653 -148877.9348 299.8619 -183213.6001 -148787.8482 299.9218 220.1297 254.1131 557298.5471 11.0020 10.9992 PRESSURE: 791800 11.5638 -35.9226 140.748 -35.923 -53.674 118.208 140.746 118.207 396.469 GPRESSURE: 791800 -7.41862 -39.9085 144.429 12.6623 6.53743 110.279 193.491 187.004 453.007 PRESSAVG: 791800 9.0312 16.8013 74.1884 16.8013 -59.2795 53.9047 74.1885 53.9047 49.1901 GPRESSAVG: 791800 8.59912 16.7003 75.2901 15.9129 -59.0623 53.3093 72.5901 55.2463 49.5196 TIMING: 791800 CPU: 2378.27, 0.00298092/step Wall: 2378.27, 0.00298092/step, 3.48453 hours remaining, 208.367188 MB of memory in use. ENERGY: 791800 731.5264 2105.0413 1927.1490 89.2008 -206074.4045 17885.5935 0.0000 0.0000 34422.9535 -148912.9400 300.6242 -183335.8935 -148816.5934 300.0469 118.1197 150.7085 558737.7026 -0.3527 -0.3145 PRESSURE: 792000 29.8997 -68.479 -50.9169 -68.4786 -124.148 -40.3599 -50.9168 -40.3599 -251.743 GPRESSURE: 792000 37.8552 -139.35 -126.233 -112.883 -30.0435 -89.893 2.27668 -13.3933 -251.489 PRESSAVG: 792000 67.6307 -60.2732 63.4683 -60.2732 -34.6336 5.96081 63.4683 5.9608 -58.1362 GPRESSAVG: 792000 66.866 -60.3712 61.2695 -61.3169 -34.5922 5.74495 63.6859 5.24488 -57.433 TIMING: 792000 CPU: 2378.87, 0.00297343/step Wall: 2378.87, 0.00297343/step, 3.47561 hours remaining, 208.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 792000 764.1086 2073.8050 1916.8574 117.6291 -205746.0114 17631.6606 0.0000 0.0000 34521.7039 -148720.2468 301.4866 -183241.9507 -148622.7377 300.4330 -115.3305 -81.2258 558012.0401 -8.3797 -8.3864 PRESSURE: 792200 -7.78304 -90.1002 -153.944 -90.1005 -220.56 196.376 -153.944 196.376 230.951 GPRESSURE: 792200 67.8876 -108.081 -130.131 -72.673 -166.743 140.716 -60.2088 208.527 196.169 PRESSAVG: 792200 56.5691 -2.82104 -10.9608 -2.82104 54.1189 9.72786 -10.9607 9.72782 -66.7151 GPRESSAVG: 792200 57.2607 -1.83517 -11.3231 -1.5611 54.1989 11.0964 -10.069 9.92257 -67.2819 TIMING: 792200 CPU: 2379.46, 0.00296864/step Wall: 2379.46, 0.00296864/step, 3.46985 hours remaining, 208.367188 MB of memory in use. ENERGY: 792200 731.9625 2082.0385 1934.5879 117.3250 -205867.8729 17776.0833 0.0000 0.0000 34414.0295 -148811.8463 300.5463 -183225.8757 -148709.4498 300.7064 0.8693 32.4377 557556.7235 14.6576 14.7259 LDB: ============= START OF LOAD BALANCING ============== 2382.97 LDB: ============== END OF LOAD BALANCING =============== 2382.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2382.98 LDB: ============= START OF LOAD BALANCING ============== 2383.28 LDB: Largest compute 4794 load 0.025902 is 22.0% of average load 0.117971 LDB: Average compute 0.001733 is 1.5% of average load 0.117971 LDB: TIME 2383.28 LOAD: AVG 0.117971 MAX 0.204974 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.445 MB LDB: TIME 2383.28 LOAD: AVG 0.117971 MAX 0.204974 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.445 MB LDB: TIME 2383.28 LOAD: AVG 0.117971 MAX 0.204974 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.445 MB LDB: ============== END OF LOAD BALANCING =============== 2383.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2383.29 PRESSURE: 792400 -352.447 71.4836 113.35 71.4841 -139.026 -102.55 113.351 -102.55 -226.763 GPRESSURE: 792400 -290.12 70.0128 73.2805 51.7865 -73.8593 -58.6346 203.337 -149.15 -252.59 PRESSAVG: 792400 -32.4743 -33.6376 -18.7532 -33.6375 -8.14457 15.212 -18.7531 15.2119 74.4672 GPRESSAVG: 792400 -33.3318 -34.466 -15.0973 -33.4997 -8.9641 15.1364 -21.1133 15.9484 76.2768 TIMING: 792400 CPU: 2380.07, 0.00303088/step Wall: 2380.07, 0.00303088/step, 3.54242 hours remaining, 210.281250 MB of memory in use. ENERGY: 792400 750.9947 2124.1214 1940.9807 113.6854 -205678.8375 17511.0351 0.0000 0.0000 34354.2074 -148883.8128 300.0238 -183238.0202 -148788.1190 299.9286 -239.4118 -205.5232 557488.1427 11.2828 11.3270 PRESSURE: 792600 -2.70045 79.9179 -12.4989 79.9174 108.484 -74.8267 -12.4983 -74.8253 -78.5323 GPRESSURE: 792600 32.0375 115.181 -65.6915 100.348 128.339 -47.9062 26.3609 -65.6471 -44.7355 PRESSAVG: 792600 -54.5518 3.22843 10.9971 3.2284 43.7088 -18.3569 10.9972 -18.3568 -8.23321 GPRESSAVG: 792600 -53.4307 3.56749 7.21123 2.62016 45.5974 -19.14 15.0274 -19.1731 -11.146 TIMING: 792600 CPU: 2380.67, 0.00299182/step Wall: 2380.67, 0.00299182/step, 3.49661 hours remaining, 210.281250 MB of memory in use. ENERGY: 792600 702.2159 2051.1435 1930.3277 120.1610 -206059.1908 17831.4998 0.0000 0.0000 34321.8390 -149102.0039 299.7412 -183423.8429 -149009.1951 299.5437 9.0838 38.5471 557423.9510 -6.3587 -6.3264 PRESSURE: 792800 -150.322 -17.4205 -121.975 -17.4205 -167.254 -65.4622 -121.974 -65.4618 -54.7732 GPRESSURE: 792800 -131.101 -158.694 -31.5752 -11.888 -165.348 -106.307 -169.18 39.6535 14.9565 PRESSAVG: 792800 47.2447 47.5543 -21.6712 47.5543 -31.215 66.3159 -21.6711 66.3159 -22.7637 GPRESSAVG: 792800 47.7927 45.757 -19.4566 47.0573 -32.2121 66.5643 -25.2428 65.2208 -22.1823 TIMING: 792800 CPU: 2381.27, 0.00299269/step Wall: 2381.27, 0.00299269/step, 3.49745 hours remaining, 210.281250 MB of memory in use. ENERGY: 792800 730.2301 2107.9352 1915.9440 107.5464 -205660.6993 17560.7663 0.0000 0.0000 34133.6099 -149104.6674 298.0973 -183238.2773 -149006.9012 299.6057 -124.1162 -93.8308 558127.4368 -2.2447 -2.2006 PRESSURE: 793000 -93.5523 -109.944 -39.591 -109.943 -213.276 135.364 -39.5918 135.363 -134.554 GPRESSURE: 793000 -107.105 -58.5319 -59.4846 -131.713 -154.666 139.224 1.22566 172.593 -83.9752 PRESSAVG: 793000 47.7032 -16.7097 43.2799 -16.7097 -67.7365 46.5366 43.28 46.5366 -0.116174 GPRESSAVG: 793000 47.0942 -17.4489 41.4114 -14.8724 -67.854 47.6951 44.1727 46.7996 0.834781 TIMING: 793000 CPU: 2381.86, 0.00299215/step Wall: 2381.86, 0.00299215/step, 3.49665 hours remaining, 210.281250 MB of memory in use. ENERGY: 793000 732.3750 2031.5293 1945.2293 113.1050 -205711.7557 17512.5084 0.0000 0.0000 34259.4892 -149117.5196 299.1966 -183377.0088 -149025.4078 299.5163 -147.1274 -115.2488 558122.8220 -6.7165 -6.6417 PRESSURE: 793200 235.903 -96.6564 -61.4392 -96.6553 -82.2426 -37.3248 -61.4399 -37.3246 -7.18757 GPRESSURE: 793200 264.577 -94.5587 -131.953 -194.713 -73.2082 -74.2553 -70.368 -5.08138 50.6832 PRESSAVG: 793200 19.8814 -34.2649 -19.4524 -34.265 11.8137 76.9931 -19.4525 76.993 0.0950907 GPRESSAVG: 793200 20.4848 -31.9337 -21.0901 -36.7713 10.6293 77.2642 -17.4076 77.3742 0.556736 TIMING: 793200 CPU: 2382.46, 0.00298615/step Wall: 2382.46, 0.00298615/step, 3.48949 hours remaining, 210.281250 MB of memory in use. ENERGY: 793200 705.0972 2103.4697 1952.5117 116.5310 -206046.8188 17785.3827 0.0000 0.0000 34273.0335 -149110.7930 299.3149 -183383.8265 -149014.3358 299.5375 48.8243 80.6841 556727.1405 10.5967 10.5570 PRESSURE: 793400 -52.7983 -100.543 -136.533 -100.544 -94.9868 105.748 -136.533 105.748 -148.577 GPRESSURE: 793400 -45.544 -100.648 -143.972 2.15104 -74.2419 58.5755 -167.077 171.328 -70.8895 PRESSAVG: 793400 28.9747 -34.9354 -58.4235 -34.9354 34.908 0.480176 -58.4235 0.480151 -42.6841 GPRESSAVG: 793400 28.4594 -33.4279 -53.8194 -33.3141 36.3902 -2.18963 -62.264 2.71827 -43.3857 TIMING: 793400 CPU: 2383.06, 0.00297354/step Wall: 2383.06, 0.00297354/step, 3.47458 hours remaining, 210.281250 MB of memory in use. ENERGY: 793400 733.1123 2101.9396 1912.5099 121.1357 -206125.2960 17637.5634 0.0000 0.0000 34477.2238 -149141.8113 301.0982 -183619.0351 -149049.3936 299.0034 -98.7875 -63.5585 557672.7684 7.0662 7.1546 PRESSURE: 793600 -185.676 -36.1829 99.2104 -36.1819 -175.41 -10.829 99.2111 -10.8283 -8.79274 GPRESSURE: 793600 -160.003 -51.9667 33.43 30.2801 -164.692 19.1818 82.3314 -59.8517 49.8619 PRESSAVG: 793600 8.4784 9.96831 25.5394 9.96835 19.8134 16.4268 25.5394 16.4268 -61.7806 GPRESSAVG: 793600 9.44204 9.19763 22.5061 8.72024 18.4307 18.3227 27.5235 15.5079 -61.6649 TIMING: 793600 CPU: 2383.66, 0.00300694/step Wall: 2383.66, 0.00300694/step, 3.51345 hours remaining, 210.281250 MB of memory in use. ENERGY: 793600 755.0039 2071.2186 1930.3422 106.6454 -206135.3612 17763.9716 0.0000 0.0000 34223.5534 -149284.6260 298.8828 -183508.1795 -149186.3081 299.3275 -123.2928 -91.6110 558236.0367 -11.1629 -11.2640 PRESSURE: 793800 124.568 149.752 86.7556 149.751 -122.851 -56.353 86.7561 -56.3529 198.799 GPRESSURE: 793800 136.669 63.929 111.966 183.361 -120.002 -54.5685 55.3345 -55.49 280.594 PRESSAVG: 793800 -36.9462 -10.1833 16.9935 -10.1833 11.963 -15.5947 16.9935 -15.5948 -4.81736 GPRESSAVG: 793800 -36.4181 -11.6575 17.77 -9.38607 11.9179 -14.4645 17.9437 -16.3397 -5.14011 TIMING: 793800 CPU: 2384.26, 0.00301106/step Wall: 2384.26, 0.00301106/step, 3.51808 hours remaining, 210.281250 MB of memory in use. ENERGY: 793800 735.8384 2092.9477 1935.1421 115.5169 -206290.4516 18087.9502 0.0000 0.0000 34119.9495 -149203.1067 297.9780 -183323.0562 -149114.9705 298.7923 66.8385 99.0869 557911.7256 -9.9335 -9.8801 PRESSURE: 794000 94.2607 -198.521 -130.012 -198.522 19.0222 -176.519 -130.012 -176.519 323.282 GPRESSURE: 794000 189.299 -211.7 -141.723 -83.7937 71.2898 -218.888 -103.999 -115.605 271.609 PRESSAVG: 794000 -40.6078 -28.5549 -46.0872 -28.5548 6.11852 -84.6635 -46.0871 -84.6635 52.0258 GPRESSAVG: 794000 -43.1474 -27.4197 -45.2678 -28.908 8.95126 -84.6585 -47.5965 -84.3099 51.2416 TIMING: 794000 CPU: 2384.86, 0.00301295/step Wall: 2384.86, 0.00301295/step, 3.52013 hours remaining, 210.281250 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: 794000 734.2244 2102.6337 1928.7523 106.9690 -206573.1626 18168.6013 0.0000 0.0000 34492.9567 -149039.0252 301.2356 -183531.9819 -148942.7903 299.6157 145.5215 177.3994 558452.8638 5.8455 5.6818 PRESSURE: 794200 179.741 136.612 -7.89 136.611 -232.841 -37.7629 -7.8906 -37.763 66.0155 GPRESSURE: 794200 176.078 161.458 -49.5207 135.907 -177.184 -87.9594 -35.6191 -40.9137 103.663 PRESSAVG: 794200 -69.5206 -39.2619 -4.54419 -39.2621 3.50417 -51.0136 -4.54416 -51.0137 57.6867 GPRESSAVG: 794200 -68.5808 -40.034 -5.23083 -38.7755 1.20383 -52.0609 -5.55268 -53.1614 58.721 TIMING: 794200 CPU: 2385.46, 0.00297751/step Wall: 2385.46, 0.00297751/step, 3.47856 hours remaining, 210.281250 MB of memory in use. ENERGY: 794200 750.4626 2172.9911 1938.1380 123.7096 -206369.2424 17903.9613 0.0000 0.0000 34485.3701 -148994.6097 301.1693 -183479.9798 -148898.0365 299.5434 4.3051 34.1853 557387.2222 -2.7766 -2.8853 PRESSURE: 794400 -317.032 146.221 70.8836 146.22 -56.9188 76.0658 70.8829 76.0665 121.292 GPRESSURE: 794400 -273.124 160.45 148.773 128.386 3.67395 149.047 60.2825 44.638 113.379 PRESSAVG: 794400 -6.06929 19.6437 20.1093 19.6438 18.2944 7.70483 20.1093 7.70467 30.8582 GPRESSAVG: 794400 -5.1924 20.6005 20.9251 17.9806 18.1517 10.5432 21.4652 7.8141 30.239 TIMING: 794400 CPU: 2386.05, 0.00298068/step Wall: 2386.05, 0.00298068/step, 3.4821 hours remaining, 210.281250 MB of memory in use. ENERGY: 794400 755.6720 2106.6359 1940.4789 120.5941 -205727.7275 17706.3022 0.0000 0.0000 34185.1442 -148912.9001 298.5474 -183098.0443 -148808.1089 300.3082 -84.2196 -52.0240 557722.4411 14.3611 14.3995 PRESSURE: 794600 -123.534 -0.306681 171.541 -0.305517 -214.733 86.1158 171.539 86.1157 -119.527 GPRESSURE: 794600 -80.2621 11.8317 117.3 -44.0721 -223.313 166.094 198.31 60.0516 -62.3179 PRESSAVG: 794600 -50.6762 -27.275 -19.3096 -27.2751 32.7019 -8.34438 -19.3095 -8.34434 7.64725 GPRESSAVG: 794600 -51.897 -27.0672 -20.9028 -24.592 32.9973 -11.1551 -18.2371 -5.34994 8.19086 TIMING: 794600 CPU: 2386.65, 0.00297715/step Wall: 2386.65, 0.00297715/step, 3.47781 hours remaining, 210.281250 MB of memory in use. ENERGY: 794600 769.3393 2114.6646 1929.4766 105.4534 -205872.8977 17795.2094 0.0000 0.0000 34395.2957 -148763.4587 300.3827 -183158.7545 -148665.7615 299.9062 -152.5979 -121.9644 559053.6777 -3.4423 -3.5696 PRESSURE: 794800 -70.1399 -66.3427 179.719 -66.3432 -11.5403 68.6731 179.72 68.6727 -186.515 GPRESSURE: 794800 -58.7654 -138.235 173.699 6.74554 63.4265 115.222 145.854 34.0075 -166.968 PRESSAVG: 794800 62.9802 17.9428 11.7817 17.9428 -32.3971 -19.7199 11.7817 -19.7199 -6.21218 GPRESSAVG: 794800 63.2225 16.5919 10.5482 18.1407 -33.7104 -20.0828 11.4629 -19.0316 -5.60077 TIMING: 794800 CPU: 2387.24, 0.00297717/step Wall: 2387.24, 0.00297717/step, 3.47767 hours remaining, 210.281250 MB of memory in use. ENERGY: 794800 759.3530 2074.5427 1919.4913 111.8365 -205757.4022 17738.1450 0.0000 0.0000 34377.4361 -148776.5977 300.2267 -183154.0338 -148685.1196 301.0138 -89.3984 -54.1023 558557.1367 8.1236 7.9704 PRESSURE: 795000 -55.6841 -6.68568 98.4286 -6.68466 89.1883 -37.9361 98.4281 -37.9385 242.777 GPRESSURE: 795000 -22.3785 -19.6806 56.17 -48.0127 104.952 -25.0429 105.479 -50.0644 283.762 PRESSAVG: 795000 -31.9399 -17.2273 -27.8993 -17.2273 -30.4855 -21.0578 -27.8992 -21.0579 41.7427 GPRESSAVG: 795000 -30.6022 -14.9839 -28.1647 -19.2285 -30.124 -19.6445 -28.3495 -22.3723 40.6531 TIMING: 795000 CPU: 2387.85, 0.00301533/step Wall: 2387.85, 0.00301533/step, 3.52207 hours remaining, 210.281250 MB of memory in use. ENERGY: 795000 728.8000 2094.4819 1937.3675 109.9480 -205947.7890 17970.7469 0.0000 0.0000 34353.8400 -148752.6047 300.0206 -183106.4447 -148656.3496 301.0818 92.0939 122.1120 558768.7399 -6.8942 -6.6910 PRESSURE: 795200 -308.714 -26.5633 -110.025 -26.5632 67.2318 -93.0803 -110.026 -93.079 111.806 GPRESSURE: 795200 -284.067 -63.0221 -110.042 10.9312 83.8377 -90.2578 -103.782 -79.8647 171.431 PRESSAVG: 795200 -1.80856 21.2611 12.9592 21.2611 -9.66003 -7.97149 12.9592 -7.97135 53.9009 GPRESSAVG: 795200 -1.93565 19.5474 13.8712 21.4656 -10.0481 -8.22502 14.6889 -8.23509 54.978 TIMING: 795200 CPU: 2388.45, 0.00300167/step Wall: 2388.45, 0.00300167/step, 3.50595 hours remaining, 210.281250 MB of memory in use. ENERGY: 795200 751.2187 2088.2169 1924.6628 120.9178 -205823.0548 17843.0583 0.0000 0.0000 34408.2580 -148686.7223 300.4959 -183094.9803 -148589.6065 300.5246 -43.2254 -9.5995 559248.7238 14.1441 14.3314 PRESSURE: 795400 20.6206 -84.1989 29.3517 -84.1994 -163.158 37.8308 29.3533 37.8304 -46.563 GPRESSURE: 795400 -15.5108 -130.085 -20.9682 -129.539 -94.0407 82.195 25.1219 36.3006 10.4836 PRESSAVG: 795400 -56.8468 -3.89857 21.7672 -3.89852 15.1579 22.8004 21.7673 22.8004 44.5899 GPRESSAVG: 795400 -58.0785 -3.39936 23.9952 -2.59895 16.1745 23.5948 20.0185 21.6571 44.3842 TIMING: 795400 CPU: 2389.05, 0.00298569/step Wall: 2389.05, 0.00298569/step, 3.48712 hours remaining, 210.281250 MB of memory in use. ENERGY: 795400 751.1011 2107.1191 1939.2349 110.1674 -205842.2931 17661.9703 0.0000 0.0000 34573.9848 -148698.7155 301.9432 -183272.7003 -148603.5881 301.0650 -63.0334 -33.0226 558050.5342 0.9670 0.8268 PRESSURE: 795600 215.18 -73.5465 39.9625 -73.5463 13.4818 116.854 39.9623 116.854 -178.594 GPRESSURE: 795600 205.938 -11.9875 100.382 -152.957 112.183 150.533 17.1644 167.625 -161.295 PRESSAVG: 795600 47.0557 25.6258 33.0471 25.6257 -5.17379 40.528 33.047 40.5282 -30.3162 GPRESSAVG: 795600 47.1047 27.0922 32.7973 22.9181 -5.04185 39.0105 33.1851 42.8082 -30.5774 TIMING: 795600 CPU: 2389.64, 0.0029965/step Wall: 2389.64, 0.0029965/step, 3.49958 hours remaining, 210.281250 MB of memory in use. ENERGY: 795600 764.4451 2131.9182 1928.4979 127.3289 -205743.6820 17713.8344 0.0000 0.0000 34418.6692 -148658.9883 300.5868 -183077.6575 -148565.6940 301.2496 16.6892 52.2752 557947.4796 3.8552 3.8285 PRESSURE: 795800 260.898 -4.52891 134.832 -4.52714 -4.22879 -37.7116 134.832 -37.7119 -174.417 GPRESSURE: 795800 285.696 -20.0468 78.5751 -81.8012 31.8571 -71.3788 118.851 -7.69565 -142.627 PRESSAVG: 795800 49.42 7.66246 23.5507 7.66249 -17.3812 18.2016 23.5507 18.2016 -64.0722 GPRESSAVG: 795800 49.807 6.43722 22.6335 10.6101 -18.4759 16.8714 25.2868 16.6336 -63.4435 TIMING: 795800 CPU: 2390.25, 0.00300284/step Wall: 2390.25, 0.00300284/step, 3.50681 hours remaining, 210.281250 MB of memory in use. ENERGY: 795800 746.5350 2121.9920 1959.3888 116.0229 -205704.8533 17621.6994 0.0000 0.0000 34506.8859 -148632.3293 301.3572 -183139.2152 -148539.0581 300.7223 27.4174 58.3087 556923.9916 -10.6778 -10.7041 PRESSURE: 796000 -70.9952 161.436 -10.3474 161.435 -214.933 -90.5973 -10.3481 -90.5983 115.191 GPRESSURE: 796000 -14.3763 184.577 4.60167 63.396 -192.613 -145.212 26.5828 -18.1334 120.846 PRESSAVG: 796000 -7.60574 13.9394 -5.66842 13.9394 21.6834 -43.5581 -5.66839 -43.5581 12.4182 GPRESSAVG: 796000 -6.84417 13.3933 -3.89024 13.9868 22.002 -41.1891 -7.80847 -43.8132 11.433 TIMING: 796000 CPU: 2390.84, 0.00297433/step Wall: 2390.84, 0.00297433/step, 3.47336 hours remaining, 210.281250 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: 796000 762.0669 2176.9610 1928.9205 127.8845 -205586.5823 17507.0427 0.0000 0.0000 34419.2707 -148664.4361 300.5921 -183083.7068 -148566.5738 302.3564 -56.9127 -28.7143 558175.8661 8.8320 8.8636 PRESSURE: 796200 -1.81251 -216.615 161.701 -216.616 -209.039 -132.76 161.703 -132.759 -77.7984 GPRESSURE: 796200 -64.8101 -216.367 170.096 -211.685 -119.623 -146.091 183.035 -111.809 -14.9152 PRESSAVG: 796200 16.8869 -28.5681 -65.6022 -28.5681 10.873 -17.5555 -65.6022 -17.5555 -46.8102 GPRESSAVG: 796200 15.2851 -31.034 -66.2301 -28.5718 11.0795 -17.7976 -63.5528 -17.2499 -44.9034 TIMING: 796200 CPU: 2391.44, 0.00298331/step Wall: 2391.44, 0.00298331/step, 3.48367 hours remaining, 210.281250 MB of memory in use. ENERGY: 796200 767.1445 2092.3088 1919.3779 122.6902 -205667.0638 17661.1429 0.0000 0.0000 34328.1685 -148776.2310 299.7964 -183104.3995 -148678.4422 300.6531 -96.2167 -66.4495 558566.3353 -6.3501 -6.1796 LDB: ============= START OF LOAD BALANCING ============== 2394.95 LDB: ============== END OF LOAD BALANCING =============== 2394.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2394.95 LDB: ============= START OF LOAD BALANCING ============== 2395.25 LDB: Largest compute 4794 load 0.026733 is 22.7% of average load 0.117984 LDB: Average compute 0.001736 is 1.5% of average load 0.117984 LDB: TIME 2395.26 LOAD: AVG 0.117984 MAX 0.205967 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.113 MB LDB: TIME 2395.26 LOAD: AVG 0.117984 MAX 0.205967 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.113 MB LDB: TIME 2395.26 LOAD: AVG 0.117984 MAX 0.205967 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.113 MB LDB: ============== END OF LOAD BALANCING =============== 2395.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2395.26 PRESSURE: 796400 15.9067 55.5592 -18.473 55.559 -113.34 53.3885 -18.4715 53.3888 -50.9738 GPRESSURE: 796400 37.9222 130.328 28.9446 67.9722 -63.252 -64.1405 -18.1037 182.773 -19.9608 PRESSAVG: 796400 -4.92958 -11.5327 27.8533 -11.5327 62.3588 6.39011 27.8534 6.39009 -18.7396 GPRESSAVG: 796400 -3.46657 -8.51706 28.7643 -11.7744 62.6643 6.94166 27.0643 7.34555 -20.1515 TIMING: 796400 CPU: 2392.05, 0.00304832/step Wall: 2392.05, 0.00304832/step, 3.55942 hours remaining, 208.285156 MB of memory in use. ENERGY: 796400 747.9803 2079.7201 1925.2819 112.7368 -205747.5513 17584.0272 0.0000 0.0000 34409.2877 -148888.5173 300.5049 -183297.8050 -148798.4888 300.7589 -49.4689 -15.0969 557892.7381 12.8965 13.0154 PRESSURE: 796600 -239.376 122.033 114.047 122.034 -69.0659 12.5948 114.049 12.5971 -181.412 GPRESSURE: 796600 -284.582 98.8414 105.623 116.826 12.927 30.9949 157.867 27.3908 -117.069 PRESSAVG: 796600 59.2131 -50.6657 22.3707 -50.6657 -30.0956 -9.10168 22.3708 -9.10176 -3.03019 GPRESSAVG: 796600 57.6058 -52.3965 20.7435 -49.8766 -30.0752 -11.3442 21.9328 -8.15707 -1.47413 TIMING: 796600 CPU: 2392.64, 0.00297427/step Wall: 2392.64, 0.00297427/step, 3.47279 hours remaining, 208.285156 MB of memory in use. ENERGY: 796600 779.7972 2113.5168 1948.7364 106.6973 -206023.0382 17734.9988 0.0000 0.0000 34464.1955 -148875.0963 300.9844 -183339.2917 -148779.2476 300.7913 -163.2847 -129.5747 558312.1601 8.6958 8.6855 PRESSURE: 796800 -127.821 56.9152 -131.767 56.913 185.361 24.2874 -131.767 24.2882 -163.229 GPRESSURE: 796800 -34.9855 9.82023 -202.002 44.1816 197.552 -17.0682 -34.6922 58.9974 -170.838 PRESSAVG: 796800 3.87522 -8.95261 -24.5728 -8.95262 33.7505 -16.2612 -24.5728 -16.2611 -24.7908 GPRESSAVG: 796800 5.77323 -6.37033 -24.7643 -8.98757 32.3964 -14.995 -23.1995 -17.4683 -25.4167 TIMING: 796800 CPU: 2393.24, 0.00300223/step Wall: 2393.24, 0.00300223/step, 3.50527 hours remaining, 208.285156 MB of memory in use. ENERGY: 796800 774.9105 2118.3942 1912.7712 110.5090 -205981.3810 17787.3975 0.0000 0.0000 34289.6406 -148987.7580 299.4600 -183277.3986 -148894.0183 300.3240 -35.2299 -2.7570 558032.7222 4.2783 4.2510 PRESSURE: 797000 11.8126 -10.7133 75.7044 -10.7121 -48.415 -122.658 75.7036 -122.659 -28.4961 GPRESSURE: 797000 48.0194 86.5533 41.7287 -114.088 -33.8869 -62.4559 87.0227 -181.374 21.2257 PRESSAVG: 797000 22.0559 22.0884 -15.6783 22.0885 -34.123 19.2928 -15.6783 19.2928 -18.8143 GPRESSAVG: 797000 20.6275 21.8716 -16.183 20.3871 -33.821 20.4041 -16.2247 19.1734 -17.28 TIMING: 797000 CPU: 2393.85, 0.00304474/step Wall: 2393.85, 0.00304474/step, 3.55473 hours remaining, 208.285156 MB of memory in use. ENERGY: 797000 780.6269 2113.7087 1946.1726 105.4830 -206121.2757 17911.6175 0.0000 0.0000 34096.2470 -149167.4200 297.7710 -183263.6670 -149074.4646 299.4976 -21.6995 11.7861 558616.0208 -10.2938 -10.1578 PRESSURE: 797200 -304.574 123.462 2.93356 123.462 -182.36 37.9456 2.93315 37.9458 -190.211 GPRESSURE: 797200 -233.895 107.407 1.96034 115.173 -170.113 64.889 26.132 51.0474 -173.737 PRESSAVG: 797200 35.4672 33.4462 -26.9515 33.4463 -41.1646 5.66891 -26.9515 5.66899 -13.6353 GPRESSAVG: 797200 36.8323 31.7756 -24.1088 34.499 -40.6022 6.07726 -27.8745 4.61371 -16.0162 TIMING: 797200 CPU: 2394.46, 0.00302617/step Wall: 2394.46, 0.00302617/step, 3.53288 hours remaining, 208.285156 MB of memory in use. ENERGY: 797200 745.3619 2092.1817 1922.8854 97.9124 -205760.8789 17551.7614 0.0000 0.0000 34287.5451 -149063.2310 299.4417 -183350.7761 -148961.3496 299.2606 -225.7149 -192.5816 559655.4188 -6.4442 -6.5954 PRESSURE: 797400 -79.6949 114.608 59.6906 114.608 -27.0128 78.5351 59.6916 78.5355 -259.487 GPRESSURE: 797400 -27.0421 101.071 6.30766 108.364 -15.377 151.438 3.5958 60.5957 -216.024 PRESSAVG: 797400 6.9109 26.2936 -8.48705 26.2936 31.3861 29.4016 -8.48705 29.4016 -32.5082 GPRESSAVG: 797400 5.60561 27.1349 -7.87288 27.2394 30.2439 29.9899 -9.13797 31.4133 -30.4403 TIMING: 797400 CPU: 2395.06, 0.00300384/step Wall: 2395.06, 0.00300384/step, 3.50665 hours remaining, 208.285156 MB of memory in use. ENERGY: 797400 773.5439 2120.6052 1910.4559 107.7053 -205867.1181 17707.1957 0.0000 0.0000 34233.5105 -149014.1015 298.9698 -183247.6121 -148918.3877 299.3652 -122.0650 -86.1477 558431.3438 1.9296 1.8030 PRESSURE: 797600 -30.1902 170.323 43.2714 170.322 -154.183 -32.3809 43.2723 -32.3822 -155.915 GPRESSURE: 797600 -18.6065 92.6369 -30.8212 178.213 -140.409 0.582756 62.1478 -60.2871 -97.2497 PRESSAVG: 797600 46.5427 -12.0978 24.2579 -12.0977 -64.0601 -0.559811 24.258 -0.559828 7.49507 GPRESSAVG: 797600 48.3758 -11.9671 21.5002 -12.7246 -63.3529 -1.20642 26.5366 0.138345 5.22047 TIMING: 797600 CPU: 2395.66, 0.00300468/step Wall: 2395.66, 0.00300468/step, 3.50746 hours remaining, 208.285156 MB of memory in use. ENERGY: 797600 789.9344 2052.0314 1942.9512 118.4272 -206319.8547 17906.7503 0.0000 0.0000 34309.6691 -149200.0911 299.6349 -183509.7602 -149102.7406 299.4836 -113.4294 -85.4216 557361.3383 -3.3408 -3.2522 PRESSURE: 797800 -184.472 -9.30105 -72.7918 -9.29878 149.203 -96.5177 -72.7926 -96.5171 -159.028 GPRESSURE: 797800 -128.213 -25.3967 -140.97 67.363 191.356 -150.641 -1.93309 -63.5786 -163.12 PRESSAVG: 797800 21.7486 -35.2781 15.333 -35.2781 27.3546 -22.3593 15.3329 -22.3593 -78.6117 GPRESSAVG: 797800 21.1973 -34.8583 17.0572 -34.4276 26.7212 -20.8837 14.6961 -24.2186 -77.3913 TIMING: 797800 CPU: 2396.26, 0.00299817/step Wall: 2396.26, 0.00299817/step, 3.4997 hours remaining, 208.285156 MB of memory in use. ENERGY: 797800 800.2206 2163.2544 1937.0648 117.1634 -205712.1053 17518.7503 0.0000 0.0000 34112.8320 -149062.8198 297.9158 -183175.6518 -148976.0450 299.1294 -64.7655 -33.3256 558036.3518 -9.8362 -9.8243 PRESSURE: 798000 114.958 -112.907 7.76985 -112.907 233.665 -156.942 7.77017 -156.941 -22.7429 GPRESSURE: 798000 137.264 -53.8272 13.6088 -93.5937 301.38 -20.9677 13.7381 -260.036 -22.925 PRESSAVG: 798000 -19.2392 -18.0203 11.594 -18.0203 35.8311 -83.7376 11.594 -83.7375 -67.6913 GPRESSAVG: 798000 -20.0661 -18.1027 12.2008 -18.1837 36.4917 -85.2037 10.5825 -83.0291 -68.2967 TIMING: 798000 CPU: 2396.85, 0.0029616/step Wall: 2396.85, 0.0029616/step, 3.45684 hours remaining, 208.285156 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: 798000 737.6536 2067.4907 1959.9653 117.5905 -205966.7566 17725.3944 0.0000 0.0000 34380.3187 -148978.3434 300.2519 -183358.6620 -148885.4258 299.2101 108.6264 138.5731 556742.0040 -17.0331 -17.2903 PRESSURE: 798200 -287.219 -124.303 72.057 -124.305 -138.265 13.5201 72.0569 13.5201 180.85 GPRESSURE: 798200 -267.593 -29.1443 105.191 -217.116 -79.8066 -27.3695 106.437 12.31 204.753 PRESSAVG: 798200 -83.2257 -12.4683 9.21771 -12.4684 73.2068 -29.5819 9.21771 -29.5819 19.0256 GPRESSAVG: 798200 -82.1209 -12.7065 8.42489 -15.056 72.6114 -29.7784 9.16199 -30.8132 19.0687 TIMING: 798200 CPU: 2397.45, 0.00299007/step Wall: 2397.45, 0.00299007/step, 3.48991 hours remaining, 208.285156 MB of memory in use. ENERGY: 798200 727.8764 2074.8128 1916.6712 115.2470 -205930.9879 17764.3267 0.0000 0.0000 34455.5012 -148876.5525 300.9085 -183332.0538 -148785.4811 299.6270 -81.5447 -47.5490 557319.1684 3.0022 3.1864 PRESSURE: 798400 -101.783 91.1644 -42.2084 91.1629 -39.0915 -41.5234 -42.209 -41.5221 -252.544 GPRESSURE: 798400 -77.6991 166.115 -18.9609 51.6781 -30.858 -20.5293 -101.607 -2.25804 -191.369 PRESSAVG: 798400 -23.2057 -46.8417 7.91266 -46.8418 -33.3241 -40.3617 7.9127 -40.3616 25.2436 GPRESSAVG: 798400 -24.8677 -46.7535 8.13895 -46.3044 -31.8173 -38.9597 7.68024 -40.2548 25.0006 TIMING: 798400 CPU: 2398.05, 0.00298649/step Wall: 2398.05, 0.00298649/step, 3.48556 hours remaining, 208.285156 MB of memory in use. ENERGY: 798400 735.6463 2084.6403 1926.3369 104.2514 -205742.0778 17589.4366 0.0000 0.0000 34225.4931 -149076.2734 298.8997 -183301.7665 -148974.6885 300.4454 -131.1396 -99.9754 557159.6204 -10.4287 -10.5615 PRESSURE: 798600 97.49 -72.792 -32.9684 -72.7916 221.122 -37.1847 -32.9684 -37.1843 137.883 GPRESSURE: 798600 73.2014 -72.5393 -51.885 -47.7987 332.281 -78.2879 -62.5662 21.3743 141.72 PRESSAVG: 798600 -52.8426 -28.5927 -22.565 -28.5926 45.6405 20.7233 -22.565 20.7234 -5.57058 GPRESSAVG: 798600 -52.8517 -27.9827 -22.9663 -28.3464 46.1311 20.2547 -22.7776 20.7946 -6.04273 TIMING: 798600 CPU: 2398.64, 0.00296691/step Wall: 2398.64, 0.00296691/step, 3.46255 hours remaining, 208.285156 MB of memory in use. ENERGY: 798600 721.6849 2140.4746 1939.6867 108.4027 -206340.8980 17998.9063 0.0000 0.0000 34285.8866 -149145.8563 299.4272 -183431.7429 -149049.9244 299.6876 152.1652 182.4007 555938.3157 -4.2576 -4.2545 PRESSURE: 798800 -19.322 -297.601 73.5826 -297.601 -12.0967 38.9864 73.5825 38.9849 46.4824 GPRESSURE: 798800 17.4736 -349.608 105.403 -262.56 47.4887 67.1526 22.1156 88.522 29.792 PRESSAVG: 798800 20.315 -13.6164 19.44 -13.6164 58.2491 -27.2368 19.44 -27.2369 -62.034 GPRESSAVG: 798800 21.7852 -13.882 19.852 -13.3618 57.4189 -25.8617 22.9267 -26.0842 -62.1115 TIMING: 798800 CPU: 2399.23, 0.00297172/step Wall: 2399.23, 0.00297172/step, 3.468 hours remaining, 208.285156 MB of memory in use. ENERGY: 798800 753.5431 2021.4786 1913.4763 103.0636 -205862.7797 17792.6272 0.0000 0.0000 34389.7312 -148888.8596 300.3341 -183278.5908 -148790.0363 300.4246 5.0212 31.5848 557478.1775 5.5100 5.6976 PRESSURE: 799000 -252.501 63.0441 -84.7316 63.0444 52.201 -0.00745393 -84.7324 -0.00726053 -42.7405 GPRESSURE: 799000 -206.117 66.381 -84.4904 106.055 166.516 62.2551 -14.1734 -4.17761 -101.339 PRESSAVG: 799000 -21.4488 -10.3554 20.9439 -10.3553 48.8167 28.585 20.9439 28.585 -47.6758 GPRESSAVG: 799000 -22.7987 -10.9959 22.7971 -11.6438 49.8146 26.8657 17.2753 29.3964 -46.7706 TIMING: 799000 CPU: 2399.82, 0.00294476/step Wall: 2399.82, 0.00294476/step, 3.43637 hours remaining, 208.285156 MB of memory in use. ENERGY: 799000 769.9860 2107.1821 1909.7899 110.6946 -205915.3519 17847.4614 0.0000 0.0000 34311.6039 -148858.6339 299.6518 -183170.2378 -148766.9518 299.8804 -81.0136 -46.9802 558367.4407 -6.7693 -6.5849 PRESSURE: 799200 -7.61245 -167.439 69.5039 -167.439 12.3705 50.5194 69.5057 50.5223 -162.967 GPRESSURE: 799200 14.0879 -239.992 52.8038 -124.044 66.1592 35.3825 22.4018 27.5801 -136.445 PRESSAVG: 799200 5.96476 -42.5745 -14.205 -42.5745 -2.87382 -17.0646 -14.205 -17.0646 48.0481 GPRESSAVG: 799200 8.20645 -42.7712 -16.9053 -40.1673 -4.09623 -13.0348 -12.8372 -19.685 47.0192 TIMING: 799200 CPU: 2400.41, 0.00294655/step Wall: 2400.41, 0.00294655/step, 3.4383 hours remaining, 208.285156 MB of memory in use. ENERGY: 799200 718.1275 2079.6083 1938.3518 118.3603 -205670.0855 17647.1773 0.0000 0.0000 34250.3995 -148918.0607 299.1173 -183168.4602 -148819.7468 299.6818 -52.7364 -18.7327 557502.8515 17.0463 17.0431 PRESSURE: 799400 22.7174 -24.7129 125.238 -24.7124 -107.447 -118.129 125.238 -118.128 -499.183 GPRESSURE: 799400 62.1139 36.4015 114.474 -49.1089 -140.102 47.9051 176.739 -165.63 -398.923 PRESSAVG: 799400 52.2485 57.3515 -0.572124 57.3514 -16.5459 29.7565 -0.572099 29.7565 3.64186 GPRESSAVG: 799400 52.4829 58.9292 0.737362 56.3175 -16.4582 26.0217 -0.134109 32.1255 3.65539 TIMING: 799400 CPU: 2401, 0.00295501/step Wall: 2401, 0.00295501/step, 3.44801 hours remaining, 208.285156 MB of memory in use. ENERGY: 799400 773.0364 2100.4169 1959.4358 124.2528 -205594.8994 17379.2852 0.0000 0.0000 33963.9035 -149294.5688 296.6152 -183258.4723 -149201.2184 299.1532 -194.6373 -158.9703 557419.7534 13.1148 13.2267 PRESSURE: 799600 17.3886 -95.583 -47.8418 -95.5834 230.292 -84.1076 -47.8418 -84.1067 -5.7183 GPRESSURE: 799600 66.6656 -20.5684 -27.7255 -140.73 297.553 -46.2525 23.5 -142.808 -4.14852 PRESSAVG: 799600 64.8311 32.3631 13.6643 32.3632 6.24883 -30.7458 13.6642 -30.7459 1.17689 GPRESSAVG: 799600 63.9572 30.2834 11.6939 33.1432 6.40938 -28.3006 14.0227 -31.1567 2.43256 TIMING: 799600 CPU: 2401.6, 0.00297431/step Wall: 2401.6, 0.00297432/step, 3.47036 hours remaining, 208.285156 MB of memory in use. ENERGY: 799600 754.8241 2140.5987 1925.2102 132.9312 -206778.5741 18062.3627 0.0000 0.0000 34278.7834 -149483.8639 299.3651 -183762.6473 -149386.4787 298.6746 80.6540 120.0232 555999.2235 24.0856 24.2664 PRESSURE: 799800 -3.84068 118.951 45.6432 118.949 -74.5498 101.676 45.6443 101.676 -47.2238 GPRESSURE: 799800 30.4937 131.612 -72.1829 106.39 3.0714 146.471 74.6309 85.6666 -60.5454 PRESSAVG: 799800 29.9752 52.9968 6.82578 52.9968 -34.325 17.8434 6.82576 17.8433 49.4177 GPRESSAVG: 799800 30.0872 52.5815 8.13042 51.8445 -34.5879 15.1305 4.2162 18.6965 49.385 TIMING: 799800 CPU: 2402.2, 0.00302471/step Wall: 2402.2, 0.00302471/step, 3.529 hours remaining, 208.285156 MB of memory in use. ENERGY: 799800 726.6909 2163.8639 1898.5374 116.0280 -206279.7226 17701.5885 0.0000 0.0000 34227.1435 -149445.8703 298.9142 -183673.0138 -149354.6710 298.6285 -41.8714 -8.9934 556998.7518 15.0226 14.9614 PRESSURE: 800000 -111.808 -75.2056 -131.545 -75.2063 -37.8017 124.441 -131.545 124.44 2.49828 GPRESSURE: 800000 -67.4009 -108.389 -97.6916 12.7219 -22.294 130.551 -73.1688 168.639 44.1277 PRESSAVG: 800000 -4.57015 -18.2079 48.7995 -18.208 29.1095 59.4415 48.7995 59.4414 -39.2939 GPRESSAVG: 800000 -3.96481 -16.859 47.3857 -18.9371 28.8168 60.0378 50.6867 59.7234 -39.0768 TIMING: 800000 CPU: 2402.81, 0.00302357/step Wall: 2402.81, 0.00302357/step, 3.5275 hours remaining, 208.285156 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: 800000 724.7655 2057.1918 1911.9827 119.9561 -206079.4080 17747.6134 0.0000 0.0000 34031.8271 -149486.0713 297.2084 -183517.8984 -149384.1515 298.7564 -49.0372 -15.1891 557633.4606 -4.9182 -4.7416 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 800000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 800000 WRITING COORDINATES TO RESTART FILE AT STEP 800000 FINISHED WRITING RESTART COORDINATES The last position output (seq=800000) takes 0.008 seconds, 208.285 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 800200 -54.148 -15.6602 -41.3294 -15.6614 125.309 -6.83123 -41.3287 -6.83234 150.987 GPRESSURE: 800200 -68.4508 -41.5675 -5.94447 -12.1289 181.275 9.07795 -114.188 -66.7827 214.027 PRESSAVG: 800200 -67.1739 -2.82372 46.2052 -2.82379 21.6491 60.4627 46.2053 60.4628 65.8625 GPRESSAVG: 800200 -67.8187 -1.55843 44.6095 -2.93689 22.5522 60.5492 46.7985 58.7735 65.9587 TIMING: 800200 CPU: 2403.43, 0.00309655/step Wall: 2403.43, 0.00309655/step, 3.61247 hours remaining, 208.285156 MB of memory in use. ENERGY: 800200 740.2697 2071.1107 1935.8647 125.7466 -206182.6741 17842.0787 0.0000 0.0000 34116.2109 -149351.3927 297.9454 -183467.6036 -149252.7399 298.9799 74.0493 108.9505 556383.4928 6.7792 6.8974 LDB: ============= START OF LOAD BALANCING ============== 2406.94 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2406.94 LDB: =============== DONE WITH MIGRATION ================ 2406.95 LDB: ============= START OF LOAD BALANCING ============== 2407.25 LDB: Largest compute 4794 load 0.025803 is 21.9% of average load 0.117935 LDB: Average compute 0.001725 is 1.5% of average load 0.117935 LDB: TIME 2407.25 LOAD: AVG 0.117935 MAX 0.207574 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.215 MB LDB: TIME 2407.25 LOAD: AVG 0.117935 MAX 0.207574 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.285 MB LDB: TIME 2407.25 LOAD: AVG 0.117935 MAX 0.207574 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.285 MB LDB: ============== END OF LOAD BALANCING =============== 2407.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2407.26 PRESSURE: 800400 18.4234 -129.76 -22.8831 -129.762 102.906 97.4314 -22.8818 97.4305 70.5157 GPRESSURE: 800400 88.901 -70.4259 20.2857 -136.426 140.112 31.1799 -82.4161 183.156 74.4365 PRESSAVG: 800400 -66.8366 24.416 -14.92 24.4159 13.8363 -2.74638 -14.92 -2.74632 14.1573 GPRESSAVG: 800400 -65.0431 24.8118 -14.5108 23.9944 12.0222 -1.8817 -13.6986 -1.92275 13.8337 TIMING: 800400 CPU: 2404.04, 0.00307724/step Wall: 2404.04, 0.00307724/step, 3.58977 hours remaining, 208.535156 MB of memory in use. ENERGY: 800400 741.4251 2106.5874 1939.5857 109.1676 -206397.9677 17935.6390 0.0000 0.0000 34278.9451 -149286.6177 299.3666 -183565.5628 -149190.5984 299.0184 63.9485 101.1499 557154.7626 -12.9477 -13.0624 PRESSURE: 800600 23.3138 27.739 -76.9043 27.7382 79.5988 -50.236 -76.9054 -50.237 -28.5703 GPRESSURE: 800600 17.7411 20.5292 -93.1989 111.922 119.275 -73.8421 -85.6358 -53.7008 26.5424 PRESSAVG: 800600 -62.2686 -8.9553 -37.8421 -8.95532 62.4148 5.1793 -37.8421 5.17923 44.9275 GPRESSAVG: 800600 -63.5025 -10.1839 -36.2394 -8.06469 64.0847 4.92695 -39.5584 4.53994 44.3937 TIMING: 800600 CPU: 2404.64, 0.00301121/step Wall: 2404.64, 0.00301121/step, 3.51258 hours remaining, 208.792969 MB of memory in use. ENERGY: 800600 736.9583 2122.6308 1925.5843 110.3469 -205843.2561 17768.2524 0.0000 0.0000 34166.0941 -149013.3893 298.3810 -183179.4835 -148915.9337 299.2802 24.7808 54.5196 557593.6621 15.0246 14.9919 PRESSURE: 800800 -159.189 101.749 12.4545 101.75 -92.1272 93.3753 12.4543 93.3739 -83.7118 GPRESSURE: 800800 -150.143 105.251 1.18857 41.2035 -17.5388 92.8771 24.7993 -3.51006 -74.8283 PRESSAVG: 800800 -6.05553 -9.6008 -9.58684 -9.60078 10.3766 27.5284 -9.58682 27.5283 -6.43089 GPRESSAVG: 800800 -4.5554 -10.0266 -9.22842 -8.95703 9.93523 25.8421 -9.51627 27.7568 -6.49828 TIMING: 800800 CPU: 2405.24, 0.00300309/step Wall: 2405.24, 0.00300309/step, 3.50293 hours remaining, 208.792969 MB of memory in use. ENERGY: 800800 736.6839 2057.0798 1935.1944 112.7269 -206217.8837 17803.3632 0.0000 0.0000 34443.5042 -149129.3312 300.8037 -183572.8354 -149032.1770 299.7852 -111.6761 -80.8367 559475.1084 -0.7033 -0.3728 PRESSURE: 801000 -292.2 122.823 -65.965 122.823 -176.601 50.5961 -65.9649 50.5961 -64.6264 GPRESSURE: 801000 -253.671 179.486 -27.8185 131.683 -168.983 139.835 -87.0281 -43.4298 -14.8464 PRESSAVG: 801000 -25.9542 -17.2154 -8.27746 -17.2154 18.7188 36.3322 -8.27745 36.3321 -5.17938 GPRESSAVG: 801000 -27.6645 -17.5583 -8.59562 -17.5232 19.0579 37.326 -9.59973 36.1218 -3.83722 TIMING: 801000 CPU: 2405.85, 0.00304049/step Wall: 2405.85, 0.00304049/step, 3.54639 hours remaining, 208.792969 MB of memory in use. ENERGY: 801000 763.7763 2048.6813 1916.6199 103.6983 -206031.3920 17642.7255 0.0000 0.0000 34224.7138 -149331.1769 298.8929 -183555.8907 -149230.6401 299.6690 -177.8092 -145.8333 558783.1923 -4.1383 -4.1479 PRESSURE: 801200 -165.34 -37.268 -59.7735 -37.2692 -23.4462 -178.261 -59.7736 -178.26 3.71449 GPRESSURE: 801200 -94.8515 -22.7152 -22.3046 -99.138 -47.6647 -189.301 -108.986 -165.391 61.0798 PRESSAVG: 801200 -15.97 -8.36239 -31.7459 -8.36244 7.9601 -23.0467 -31.7458 -23.0467 1.6184 GPRESSAVG: 801200 -14.6369 -9.50868 -33.5393 -8.93366 6.74869 -24.4903 -29.7284 -24.0222 1.54793 TIMING: 801200 CPU: 2406.45, 0.00301047/step Wall: 2406.45, 0.00301047/step, 3.51122 hours remaining, 208.792969 MB of memory in use. ENERGY: 801200 730.1648 2094.7909 1930.1081 122.1159 -205972.7791 17699.5176 0.0000 0.0000 34051.8382 -149344.2436 297.3832 -183396.0818 -149248.8124 298.2071 -61.6904 -27.1455 558027.9704 -2.1305 -2.1134 PRESSURE: 801400 -53.455 201.931 -42.9964 201.93 -126.932 42.1919 -42.9958 42.191 -149.276 GPRESSURE: 801400 -21.5444 166.684 -25.2551 199.953 -137.766 70.911 -59.1406 28.3807 -65.666 PRESSAVG: 801400 12.2018 -1.20867 -42.4374 -1.20867 20.864 6.42666 -42.4374 6.42671 -53.6964 GPRESSAVG: 801400 12.3516 0.788824 -41.3633 -0.79364 21.6703 6.87873 -43.6768 9.11633 -54.6764 TIMING: 801400 CPU: 2407.05, 0.0029914/step Wall: 2407.05, 0.0029914/step, 3.4888 hours remaining, 208.792969 MB of memory in use. ENERGY: 801400 753.4151 2114.5260 1925.1199 105.9393 -206311.2732 17745.6996 0.0000 0.0000 34239.3538 -149427.2195 299.0208 -183666.5732 -149336.8288 298.9561 -109.8876 -74.9921 557752.9264 -6.8769 -6.8849 PRESSURE: 801600 -393.14 177.399 12.6989 177.399 -21.7711 28.3926 12.698 28.3923 -176.994 GPRESSURE: 801600 -411.222 196.96 103.639 120.347 32.0463 -8.5477 34.0466 -41.387 -110.595 PRESSAVG: 801600 -67.4263 -27.2498 -66.0861 -27.2499 39.4292 16.8615 -66.0862 16.8615 42.4033 GPRESSAVG: 801600 -67.3081 -29.7638 -66.4598 -25.9723 39.2131 14.2494 -65.414 16.6438 42.845 TIMING: 801600 CPU: 2407.65, 0.00297237/step Wall: 2407.65, 0.00297237/step, 3.46644 hours remaining, 208.792969 MB of memory in use. ENERGY: 801600 727.9814 2108.8948 1939.8346 97.5531 -205912.3185 17555.1946 0.0000 0.0000 34295.2653 -149187.5948 299.5091 -183482.8601 -149095.0972 299.3348 -197.3018 -163.2567 558447.0944 4.8021 4.9167 PRESSURE: 801800 -187.422 36.9417 -111.332 36.9399 -139.964 -70.8636 -111.332 -70.863 -59.8885 GPRESSURE: 801800 -171.385 13.4178 -102.013 35.7556 -111.644 -54.5461 -16.6776 -134.291 -6.75742 PRESSAVG: 801800 -59.5415 20.0303 -20.0028 20.0303 -20.8108 -1.88594 -20.0027 -1.88599 65.664 GPRESSAVG: 801800 -60.2164 21.9129 -19.816 20.1068 -20.1009 1.59549 -19.2199 -3.97408 65.8426 TIMING: 801800 CPU: 2408.25, 0.00299445/step Wall: 2408.25, 0.00299445/step, 3.49202 hours remaining, 208.792969 MB of memory in use. ENERGY: 801800 730.4351 2077.5230 1917.4415 115.3325 -205940.2341 17626.9309 0.0000 0.0000 34298.7404 -149173.8306 299.5394 -183472.5710 -149075.5698 298.5885 -129.0915 -96.5955 559247.2463 -4.8961 -4.8249 PRESSURE: 802000 -6.79912 11.004 18.5623 11.0043 458.613 102.108 18.5629 102.11 139.597 GPRESSURE: 802000 60.5104 30.1139 30.7861 -1.51821 457.676 79.6903 -50.984 165.106 157.354 PRESSAVG: 802000 0.440196 -2.42405 -12.6694 -2.424 39.8144 47.7495 -12.6693 47.7495 -3.56419 GPRESSAVG: 802000 1.06915 -3.61403 -11.45 -3.46572 40.1237 46.7634 -16.2869 47.9654 -3.83412 TIMING: 802000 CPU: 2408.84, 0.0029577/step Wall: 2408.84, 0.0029577/step, 3.44901 hours remaining, 208.792969 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: 802000 705.5468 2119.2771 1926.6103 117.8528 -206154.0426 17952.0192 0.0000 0.0000 34217.7199 -149115.0167 298.8319 -183332.7366 -149021.8662 299.2005 197.1370 225.1803 558028.2012 12.2301 12.4529 PRESSURE: 802200 65.0952 -20.7341 -94.1991 -20.7343 -38.9311 93.2457 -94.199 93.245 208.375 GPRESSURE: 802200 88.2271 11.8345 -123.468 -50.3177 -6.0457 117.612 -114.314 61.421 248.65 PRESSAVG: 802200 3.08082 -70.5147 -36.4463 -70.5147 -69.3214 0.0364633 -36.4462 0.0365934 24.5524 GPRESSAVG: 802200 2.64421 -69.4621 -38.8625 -70.2288 -69.5211 1.51889 -32.5389 -2.62309 24.7681 TIMING: 802200 CPU: 2409.44, 0.00298959/step Wall: 2409.44, 0.00298959/step, 3.48602 hours remaining, 208.792969 MB of memory in use. ENERGY: 802200 750.2969 2152.5734 1949.7198 121.2788 -206339.2567 17937.0013 0.0000 0.0000 34280.2365 -149148.1500 299.3778 -183428.3865 -149061.9631 299.7364 78.1795 110.2772 556507.3466 -13.8961 -14.0363 PRESSURE: 802400 -177.22 -27.9029 -95.0524 -27.9029 -316.777 -70.0578 -95.0537 -70.0576 80.4992 GPRESSURE: 802400 -138.206 -80.9972 -162.891 17.5058 -294.183 -134.471 -45.5832 -53.8135 122.163 PRESSAVG: 802400 -75.7653 -40.0917 -51.4519 -40.0918 26.0007 28.2567 -51.4519 28.2567 34.5003 GPRESSAVG: 802400 -76.1448 -40.3867 -51.1085 -41.6244 25.6346 26.7799 -53.9723 30.1676 35.4069 TIMING: 802400 CPU: 2410.03, 0.0029841/step Wall: 2410.03, 0.0029841/step, 3.47946 hours remaining, 208.792969 MB of memory in use. ENERGY: 802400 756.6733 2069.7952 1929.7659 96.5674 -205856.9370 17597.7072 0.0000 0.0000 34231.1618 -149175.2663 298.9492 -183406.4280 -149078.0121 299.4358 -137.8327 -103.4082 558393.6393 -5.0881 -5.0345 PRESSURE: 802600 171.492 -132.101 -92.4067 -132.101 -183.949 -181.224 -92.408 -181.223 -143.045 GPRESSURE: 802600 168.409 -71.3769 -96.8011 -135.656 -81.2561 -146.269 -70.5088 -222.167 -147.146 PRESSAVG: 802600 39.2741 -18.4491 -6.46263 -18.449 -53.8798 34.5318 -6.46264 34.5317 33.2185 GPRESSAVG: 802600 39.7799 -17.3497 -6.15754 -17.191 -53.8343 34.6021 -5.1633 34.8136 32.4485 TIMING: 802600 CPU: 2410.64, 0.00302231/step Wall: 2410.64, 0.00302231/step, 3.52384 hours remaining, 208.792969 MB of memory in use. ENERGY: 802600 713.1808 2123.6210 1932.6254 126.9988 -206027.5277 17695.6902 0.0000 0.0000 34234.4854 -149200.9262 298.9783 -183435.4116 -149104.7972 299.4106 -51.8342 -19.9978 558264.5425 6.2043 6.1314 PRESSURE: 802800 -210.768 -43.8744 167.942 -43.8749 70.2913 -127.009 167.941 -127.01 -263.094 GPRESSURE: 802800 -163.71 72.835 100.179 -69.998 62.6081 -90.5323 208.478 -182.859 -210.499 PRESSAVG: 802800 43.547 -60.9137 0.287283 -60.9138 -16.8524 -24.9253 0.287235 -24.9253 -25.1357 GPRESSAVG: 802800 42.0508 -60.8897 1.01254 -61.052 -15.6591 -23.8432 -0.844297 -24.6361 -25.456 TIMING: 802800 CPU: 2411.24, 0.00302561/step Wall: 2411.24, 0.00302561/step, 3.52752 hours remaining, 208.792969 MB of memory in use. ENERGY: 802800 778.6510 2076.4105 1947.2997 116.0152 -206226.9900 17667.7528 0.0000 0.0000 34444.0194 -149196.8415 300.8082 -183640.8608 -149099.2237 300.1286 -134.5236 -103.8671 556441.1469 0.5196 0.3119 PRESSURE: 803000 168.784 -76.9757 -15.9199 -76.9764 -41.8648 -157.475 -15.9198 -157.475 24.1238 GPRESSURE: 803000 212.506 -41.3177 -29.6315 -63.8375 -45.3516 -138.171 16.5917 -98.892 84.1042 PRESSAVG: 803000 6.83644 -23.5241 -22.0693 -23.524 -5.9081 0.185817 -22.0693 0.185838 -10.9044 GPRESSAVG: 803000 7.96245 -23.9238 -20.9829 -23.2639 -6.63036 -0.129975 -22.1532 0.390675 -11.2869 TIMING: 803000 CPU: 2411.85, 0.00302537/step Wall: 2411.85, 0.00302537/step, 3.52708 hours remaining, 208.792969 MB of memory in use. ENERGY: 803000 760.6070 2106.6086 1927.4549 108.2476 -206612.9923 18077.9559 0.0000 0.0000 34363.1062 -149269.0121 300.1016 -183632.1183 -149173.4251 299.6595 50.3477 83.7528 557667.3096 -3.3253 -3.3183 PRESSURE: 803200 -362.133 -95.8167 -95.2574 -95.8171 -153.092 -34.138 -95.2574 -34.1376 -89.1125 GPRESSURE: 803200 -318.679 -165.75 -33.8267 -66.4057 -103.806 -69.3349 -115.597 41.0074 -110.625 PRESSAVG: 803200 -90.2716 -2.83251 0.103658 -2.83249 13.7745 -4.68004 0.103769 -4.67998 86.581 GPRESSAVG: 803200 -90.5671 -2.24003 -1.09434 -3.6947 12.5724 -3.38408 0.828422 -4.2893 87.1827 TIMING: 803200 CPU: 2412.45, 0.00300702/step Wall: 2412.45, 0.00300702/step, 3.50551 hours remaining, 208.792969 MB of memory in use. ENERGY: 803200 763.9058 2118.4643 1957.5000 134.3237 -206132.5407 17623.9610 0.0000 0.0000 34440.6748 -149093.7112 300.7790 -183534.3860 -148995.8676 299.7774 -201.4457 -177.7032 559381.7745 3.3613 3.0627 PRESSURE: 803400 8.50179 -80.6065 -45.0056 -80.6067 11.4147 132.353 -45.0059 132.352 -210.904 GPRESSURE: 803400 -1.65582 -63.4552 39.9507 -4.23365 55.9314 11.8055 -48.0358 135.154 -159.576 PRESSAVG: 803400 -67.1556 -1.22337 -26.2845 -1.22337 13.9414 9.96076 -26.2845 9.96075 26.8407 GPRESSAVG: 803400 -67.8139 -1.31461 -26.7177 -0.664223 16.7611 8.74335 -26.4144 10.9644 24.9471 TIMING: 803400 CPU: 2413.04, 0.002982/step Wall: 2413.04, 0.002982/step, 3.47618 hours remaining, 208.792969 MB of memory in use. ENERGY: 803400 745.9526 2128.0237 1926.1664 106.7349 -206200.0295 17967.3454 0.0000 0.0000 34286.9419 -149038.8646 299.4364 -183325.8065 -148949.4326 299.9586 -63.6625 -35.1001 559125.9577 -8.7912 -8.7019 PRESSURE: 803600 -42.9503 10.0778 -169.982 10.0781 -255.612 222.922 -169.982 222.922 -74.4947 GPRESSURE: 803600 12.5888 14.7382 -189.083 46.5369 -293.235 282.162 -196.904 147.353 2.79816 PRESSAVG: 803600 41.6384 10.6248 -43.0986 10.6249 -40.0596 0.86407 -43.0987 0.863898 22.7722 GPRESSAVG: 803600 42.0206 9.9326 -42.5061 9.43353 -41.8723 0.828467 -44.178 -2.44707 23.9866 TIMING: 803600 CPU: 2413.64, 0.002991/step Wall: 2413.64, 0.002991/step, 3.4865 hours remaining, 208.792969 MB of memory in use. ENERGY: 803600 757.0864 2062.6199 1927.5409 122.5630 -206110.5788 17850.6065 0.0000 0.0000 34402.7052 -148987.4569 300.4474 -183390.1621 -148893.9522 299.8414 -124.3524 -92.6159 558850.9047 8.1170 8.0450 PRESSURE: 803800 -108.688 -119.397 -28.0213 -119.397 -139.351 15.6753 -28.0222 15.6746 -151.77 GPRESSURE: 803800 -110.447 -200.62 -23.5606 -30.6079 -93.8526 19.4815 -51.0805 5.87824 -96.4887 PRESSAVG: 803800 -21.8442 -49.7483 -56.0784 -49.7484 58.33 -25.5624 -56.0784 -25.5624 2.26044 GPRESSAVG: 803800 -21.9147 -49.9613 -54.4887 -47.4035 59.595 -26.5011 -57.1318 -22.9532 0.872768 TIMING: 803800 CPU: 2414.24, 0.00297866/step Wall: 2414.24, 0.00297866/step, 3.47196 hours remaining, 208.792969 MB of memory in use. ENERGY: 803800 771.9752 2091.0523 1940.1219 119.3926 -205702.4028 17544.4147 0.0000 0.0000 34235.6097 -148999.8364 298.9881 -183235.4461 -148909.7469 299.6482 -133.2699 -100.2628 558096.6116 12.9154 12.8511 PRESSURE: 804000 111.109 44.3499 89.6198 44.3503 -10.0265 -80.8888 89.6198 -80.8896 -145.512 GPRESSURE: 804000 86.7789 105.457 128.259 25.1158 21.597 -103.641 62.1694 -11.818 -66.5862 PRESSAVG: 804000 46.1137 -22.9767 28.3649 -22.9766 58.1834 -23.0212 28.365 -23.0212 -53.6762 GPRESSAVG: 804000 46.2473 -21.8382 28.8787 -23.0306 57.115 -23.3628 29.8998 -23.2703 -53.1053 TIMING: 804000 CPU: 2414.84, 0.00298171/step Wall: 2414.84, 0.00298171/step, 3.47535 hours remaining, 208.792969 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: 804000 737.5975 2120.4592 1918.9881 117.9425 -206047.1619 17782.0048 0.0000 0.0000 34258.5025 -149111.6673 299.1880 -183370.1698 -149014.3785 299.9170 -14.8098 13.9299 558448.7424 16.8736 16.7523 PRESSURE: 804200 -36.6193 109.196 -1.62681 109.197 -88.3247 53.5887 -1.6262 53.5877 -144.929 GPRESSURE: 804200 -55.6969 59.0364 -18.7649 105.531 -36.4809 37.2726 89.5475 38.7436 -89.4466 PRESSAVG: 804200 21.4086 -11.8458 -27.2126 -11.8458 -31.2533 34.0973 -27.2125 34.0972 -7.63637 GPRESSAVG: 804200 20.2273 -13.4382 -30.4158 -10.7716 -30.8547 37.1379 -26.027 31.0625 -6.59678 TIMING: 804200 CPU: 2415.43, 0.00297742/step Wall: 2415.43, 0.00297742/step, 3.47019 hours remaining, 208.792969 MB of memory in use. ENERGY: 804200 772.1169 2108.7346 1915.4599 124.6615 -205993.0720 17691.9963 0.0000 0.0000 34218.9288 -149161.1739 298.8424 -183380.1028 -149061.9267 298.9718 -89.9576 -60.5415 558001.8625 -5.8270 -5.7414 LDB: ============= START OF LOAD BALANCING ============== 2418.94 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2418.94 LDB: =============== DONE WITH MIGRATION ================ 2418.95 LDB: ============= START OF LOAD BALANCING ============== 2419.24 LDB: Largest compute 4794 load 0.026043 is 22.1% of average load 0.117889 LDB: Average compute 0.001729 is 1.5% of average load 0.117889 LDB: TIME 2419.25 LOAD: AVG 0.117889 MAX 0.203926 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.91 MB LDB: TIME 2419.25 LOAD: AVG 0.117889 MAX 0.203926 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.91 MB LDB: TIME 2419.25 LOAD: AVG 0.117889 MAX 0.203926 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.91 MB LDB: ============== END OF LOAD BALANCING =============== 2419.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 2419.25 Info: useSync: 0 useProxySync: 0 PRESSURE: 804400 116.614 0.852021 -109.244 0.852138 -79.6222 -127.802 -109.243 -127.802 135.479 GPRESSURE: 804400 136.02 27.884 -115.542 -4.87063 -24.2002 -168.464 -106.593 -114.723 155.462 PRESSAVG: 804400 -38.8203 -2.7439 17.7457 -2.74389 8.21201 50.9804 17.7457 50.9803 18.7001 GPRESSAVG: 804400 -38.0502 -3.9439 20.7599 -4.43267 8.26232 48.5839 14.6097 53.1851 18.4078 TIMING: 804400 CPU: 2416.03, 0.00302152/step Wall: 2416.03, 0.00302152/step, 3.52142 hours remaining, 208.093750 MB of memory in use. ENERGY: 804400 784.2822 2032.8350 1938.3210 117.1714 -206344.2220 17997.8950 0.0000 0.0000 34369.1504 -149104.5671 300.1543 -183473.7175 -149013.3884 299.5825 57.4903 89.0940 558909.6722 -3.9694 -3.7934 PRESSURE: 804600 -60.6545 15.9351 -49.1934 15.9351 -11.8876 -222.242 -49.194 -222.241 -73.0641 GPRESSURE: 804600 -13.0866 39.2109 -4.1024 34.7486 47.4624 -209.212 -42.4554 -225.577 -78.0012 PRESSAVG: 804600 22.8007 103.497 -21.7001 103.497 -36.573 -21.3054 -21.7 -21.3053 2.74068 GPRESSAVG: 804600 22.1209 104.894 -22.5335 103.015 -37.7044 -20.0525 -21.6964 -21.6586 3.99289 TIMING: 804600 CPU: 2416.63, 0.00298513/step Wall: 2416.63, 0.00298513/step, 3.47884 hours remaining, 208.160156 MB of memory in use. ENERGY: 804600 741.4475 2049.1404 1933.2636 117.0520 -206118.7296 17871.7863 0.0000 0.0000 34320.2298 -149085.8101 299.7271 -183406.0398 -148988.2359 299.3417 -48.5354 -14.5418 560011.5185 -3.6772 -3.8635 PRESSURE: 804800 24.7866 161.518 -74.2722 161.518 -155.387 -41.5337 -74.2723 -41.5323 59.2319 GPRESSURE: 804800 -7.8262 132.856 -135.377 115.333 -85.865 6.81958 -11.517 -69.1552 113.677 PRESSAVG: 804800 12.834 33.4451 -32.1403 33.4452 -28.4606 -9.42227 -32.1403 -9.42227 4.31161 GPRESSAVG: 804800 12.3019 31.9875 -31.7992 33.4047 -28.0766 -11.3209 -30.9498 -7.43023 4.41244 TIMING: 804800 CPU: 2417.23, 0.00299085/step Wall: 2417.23, 0.00299085/step, 3.48534 hours remaining, 208.160156 MB of memory in use. ENERGY: 804800 763.1968 2094.7783 1918.1510 115.7149 -206585.6058 18177.2885 0.0000 0.0000 34288.2191 -149228.2572 299.4475 -183516.4763 -149135.3876 300.0439 -23.7895 6.6619 559278.3054 -3.7716 -3.7874 PRESSURE: 805000 128.171 15.6568 13.7248 15.6567 53.3669 -175.099 13.7255 -175.1 31.09 GPRESSURE: 805000 106.539 -28.612 43.0813 -16.5728 97.8271 -239.803 11.209 -140.794 105.951 PRESSAVG: 805000 -24.3433 16.7956 -48.2181 16.7955 5.8523 -18.2229 -48.2182 -18.223 -28.495 GPRESSAVG: 805000 -23.2137 19.3764 -50.1701 17.761 6.3349 -14.7813 -47.1455 -20.0527 -30.5473 TIMING: 805000 CPU: 2417.83, 0.00299798/step Wall: 2417.83, 0.00299798/step, 3.49348 hours remaining, 208.160156 MB of memory in use. ENERGY: 805000 729.8065 2084.2550 1928.5963 119.8780 -206328.8604 17876.0295 0.0000 0.0000 34290.1504 -149300.1447 299.4644 -183590.2951 -149202.1806 299.3578 70.8759 103.4392 557340.9783 -15.6620 -15.8087 PRESSURE: 805200 -95.6249 64.9353 -133.78 64.9368 -7.30981 -26.0064 -133.781 -26.0056 -113.693 GPRESSURE: 805200 -93.662 26.8641 -47.4248 57.5272 2.31129 8.43765 -163.236 -89.5465 -20.6952 PRESSAVG: 805200 32.188 24.3453 -14.9226 24.3454 -1.84779 49.4544 -14.9226 49.4544 18.281 GPRESSAVG: 805200 31.6287 22.2106 -14.142 23.4554 -1.32956 47.3946 -17.122 50.4846 18.3817 TIMING: 805200 CPU: 2418.42, 0.00297515/step Wall: 2418.42, 0.00297515/step, 3.46672 hours remaining, 208.160156 MB of memory in use. ENERGY: 805200 760.1742 2073.6247 1903.1860 128.4845 -206160.0075 17845.6901 0.0000 0.0000 34183.4260 -149265.4220 298.5324 -183448.8480 -149165.7403 299.4630 -72.2092 -37.3486 558402.8242 16.2071 16.2269 PRESSURE: 805400 -12.4766 -16.5678 47.3415 -16.5693 -17.737 37.3796 47.3412 37.378 70.0211 GPRESSURE: 805400 74.1246 -7.95583 -29.8995 -57.3717 8.40323 -26.9824 -21.8127 50.8146 53.8148 PRESSAVG: 805400 -59.3903 18.7337 20.6765 18.7337 -3.82714 -1.62187 20.6764 -1.62193 60.7177 GPRESSAVG: 805400 -59.5508 21.023 20.575 19.1916 -4.29354 -2.83013 21.1354 -2.20628 61.524 TIMING: 805400 CPU: 2419.02, 0.00298261/step Wall: 2419.02, 0.00298261/step, 3.47524 hours remaining, 208.160156 MB of memory in use. ENERGY: 805400 748.3780 2054.8001 1926.1410 130.8912 -206435.1392 17931.7436 0.0000 0.0000 34337.7609 -149305.4245 299.8802 -183643.1854 -149204.7449 299.0528 13.2692 45.4475 557572.9813 -0.8332 -0.7734 PRESSURE: 805600 -8.79872 -78.934 151.461 -78.9349 94.649 126.07 151.46 126.07 -196.74 GPRESSURE: 805600 10.8701 -54.6038 222.639 -79.0021 175.81 66.6475 165.797 133.079 -203.13 PRESSAVG: 805600 -37.2993 -10.9024 -1.33176 -10.9024 75.485 7.69674 -1.33182 7.69672 -21.3231 GPRESSAVG: 805600 -37.3334 -9.86156 -1.60221 -12.0084 74.2035 9.85904 -0.11248 7.69849 -20.2609 TIMING: 805600 CPU: 2419.62, 0.00299122/step Wall: 2419.62, 0.00299122/step, 3.48511 hours remaining, 208.160156 MB of memory in use. ENERGY: 805600 799.0448 2053.3593 1928.9368 117.3060 -206272.7110 17840.5139 0.0000 0.0000 34230.5513 -149302.9988 298.9439 -183533.5501 -149211.8719 299.4724 -36.9633 -5.4832 555749.8235 5.6209 5.5364 PRESSURE: 805800 48.0682 49.312 -26.4839 49.3128 119.326 -34.3715 -26.4856 -34.3719 -100.393 GPRESSURE: 805800 74.2958 79.8103 -117.387 67.4966 134.394 -47.7509 -15.7578 -44.9206 -30.2834 PRESSAVG: 805800 -61.9913 38.6733 7.65976 38.6733 98.317 -37.2998 7.65978 -37.2999 -45.4987 GPRESSAVG: 805800 -62.5788 36.8092 7.59977 40.1779 99.2739 -39.985 7.05689 -38.0825 -45.6227 TIMING: 805800 CPU: 2420.22, 0.00299826/step Wall: 2420.22, 0.00299826/step, 3.49314 hours remaining, 208.160156 MB of memory in use. ENERGY: 805800 767.0258 2111.6627 1934.0851 101.5721 -206289.5581 17870.3001 0.0000 0.0000 34167.4660 -149337.4462 298.3930 -183504.9123 -149240.8170 299.1505 22.3339 59.4687 558182.0486 -3.0577 -2.9759 PRESSURE: 806000 59.4166 323.161 -33.3068 323.161 -164.184 -70.6039 -33.3064 -70.6037 41.2865 GPRESSURE: 806000 41.8717 227.966 13.8804 303.182 -103.659 -58.3957 -30.3486 -57.7847 96.9735 PRESSAVG: 806000 26.7386 -6.57896 -11.1769 -6.57898 17.193 -21.3829 -11.177 -21.3829 -54.8799 GPRESSAVG: 806000 27.6795 -7.76324 -12.9923 -5.56393 16.6821 -19.7812 -11.2665 -20.054 -55.0613 TIMING: 806000 CPU: 2420.83, 0.00303013/step Wall: 2420.83, 0.00303013/step, 3.53011 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: 806000 736.8800 2107.9825 1901.9469 111.9109 -206458.0026 17876.2604 0.0000 0.0000 34433.2318 -149289.7901 300.7140 -183723.0218 -149185.5569 298.9509 -21.1604 11.7288 556903.3745 -3.6494 -3.5665 PRESSURE: 806200 -116.86 -17.607 -152.76 -17.6068 -76.0554 43.3219 -152.761 43.3218 -66.9371 GPRESSURE: 806200 -102.847 -45.7469 -166.689 -26.5845 0.705387 60.6973 -167.971 37.5346 -65.1105 PRESSAVG: 806200 -62.2023 70.6766 -6.48634 70.6767 32.5994 -29.1792 -6.48625 -29.1793 20.6343 GPRESSAVG: 806200 -61.0091 71.8887 -5.67363 68.8219 33.5922 -27.2884 -5.82453 -30.3996 18.9594 TIMING: 806200 CPU: 2421.42, 0.00299128/step Wall: 2421.42, 0.00299128/step, 3.48468 hours remaining, 208.160156 MB of memory in use. ENERGY: 806200 710.9740 2096.4420 1911.0125 108.0638 -206313.3121 17798.9972 0.0000 0.0000 34214.6819 -149473.1407 298.8053 -183687.8225 -149371.2916 298.8661 -86.6174 -55.7507 556954.6626 -2.9895 -2.8192 PRESSURE: 806400 188.321 -19.7808 -23.9075 -19.7813 -67.1028 -178.49 -23.9077 -178.49 107.483 GPRESSURE: 806400 195.019 20.4841 -76.3179 42.4913 -35.9763 -259.103 -78.2078 -138.503 153.693 PRESSAVG: 806400 83.6943 -22.978 8.38851 -22.978 -46.6371 -55.3469 8.38848 -55.3469 -16.5023 GPRESSAVG: 806400 83.4029 -23.1813 9.23245 -23.8367 -47.4788 -57.1698 6.61438 -53.5231 -14.632 TIMING: 806400 CPU: 2422.02, 0.0029775/step Wall: 2422.02, 0.0029775/step, 3.46845 hours remaining, 208.160156 MB of memory in use. ENERGY: 806400 747.0730 2092.4654 1933.1980 114.7238 -206304.9698 17760.1045 0.0000 0.0000 34224.3298 -149433.0753 298.8896 -183657.4050 -149331.9913 298.8272 76.2336 104.2452 555773.6404 6.8516 7.0974 PRESSURE: 806600 39.8138 85.8506 52.8234 85.851 -0.262715 -35.2106 52.8223 -35.2099 166.73 GPRESSURE: 806600 47.5322 -39.1602 -39.7815 94.8643 62.4224 -21.6185 120.387 -75.7629 194.933 PRESSAVG: 806600 34.9084 23.5851 -24.3547 23.585 -33.3632 -23.3699 -24.3546 -23.3701 16.7602 GPRESSAVG: 806600 34.4387 20.446 -23.3142 26.8718 -31.7064 -22.8682 -24.1765 -24.2472 15.4205 TIMING: 806600 CPU: 2422.61, 0.00294779/step Wall: 2422.61, 0.00294779/step, 3.43369 hours remaining, 208.160156 MB of memory in use. ENERGY: 806600 779.6290 2075.6179 1915.6426 105.2849 -206371.0294 17935.1384 0.0000 0.0000 34136.5333 -149423.1832 298.1228 -183559.7166 -149328.0256 298.8264 68.7602 101.6292 556083.6561 6.1018 6.0509 PRESSURE: 806800 -99.0728 -6.51431 -229.993 -6.51348 -275.976 -1.92531 -229.993 -1.92642 114.206 GPRESSURE: 806800 -33.8516 48.2111 -204.012 29.8879 -228.559 10.379 -154.422 74.6461 95.6187 PRESSAVG: 806800 -32.9111 -12.4948 -58.9478 -12.4949 -71.2965 26.1294 -58.9478 26.1294 70.7281 GPRESSAVG: 806800 -33.3107 -10.6713 -59.2529 -13.8072 -72.4897 26.4946 -60.2747 26.7404 72.3977 TIMING: 806800 CPU: 2423.2, 0.00295709/step Wall: 2423.2, 0.00295709/step, 3.44435 hours remaining, 208.160156 MB of memory in use. ENERGY: 806800 749.5538 2138.3015 1876.0749 108.7135 -206233.7921 17686.6136 0.0000 0.0000 34087.3433 -149587.1914 297.6932 -183674.5347 -149489.8770 298.2899 -86.9473 -55.5973 556352.1532 -11.1599 -11.1342 PRESSURE: 807000 14.3875 -39.0822 -66.4048 -39.0826 59.4166 56.1285 -66.4047 56.128 -181.884 GPRESSURE: 807000 24.8037 -7.17901 -55.7073 -23.3578 87.0664 22.157 -45.3811 105.015 -122.193 PRESSAVG: 807000 -7.09752 32.839 -27.1123 32.839 40.7061 -0.981784 -27.1122 -0.981765 -35.575 GPRESSAVG: 807000 -6.61105 33.7905 -28.4152 31.3186 41.584 0.132718 -26.7357 -3.06915 -36.7186 TIMING: 807000 CPU: 2423.79, 0.00297421/step Wall: 2423.79, 0.00297421/step, 3.46413 hours remaining, 208.160156 MB of memory in use. ENERGY: 807000 735.2717 2128.5752 1952.8151 119.3299 -206381.3736 17850.5709 0.0000 0.0000 34005.3313 -149589.4794 296.9770 -183594.8107 -149487.7456 298.4476 -36.0268 -3.4409 555185.8792 -0.6555 -0.5819 PRESSURE: 807200 -244.929 -221.723 21.2016 -221.722 106.742 -70.796 21.2028 -70.7971 -84.3539 GPRESSURE: 807200 -166.683 -165.238 63.2119 -138.025 108.937 -109.064 -38.8326 -20.2176 -69.5606 PRESSAVG: 807200 79.5852 -44.953 6.72669 -44.953 -27.624 -6.92434 6.72669 -6.92437 -49.962 GPRESSAVG: 807200 80.0769 -46.9445 5.76266 -42.6236 -27.6628 -9.54615 8.79624 -3.46261 -50.3819 TIMING: 807200 CPU: 2424.39, 0.00297302/step Wall: 2424.39, 0.00297302/step, 3.46257 hours remaining, 208.160156 MB of memory in use. ENERGY: 807200 733.5689 2122.5787 1906.8591 123.9652 -206232.3466 17748.7632 0.0000 0.0000 33987.0540 -149609.5576 296.8174 -183596.6116 -149507.0351 297.6746 -74.1803 -42.4355 556014.8592 0.6664 0.6774 PRESSURE: 807400 33.0899 -91.2161 -102.156 -91.2157 -300.76 49.6374 -102.156 49.6378 -101.41 GPRESSURE: 807400 92.2073 -128.159 -100.229 -39.6078 -275.768 7.50434 -129.472 53.3269 -86.4058 PRESSAVG: 807400 37.8634 -62.3929 -0.778025 -62.3929 40.1281 20.9021 -0.778108 20.9019 -30.9001 GPRESSAVG: 807400 37.3134 -60.8139 -1.08313 -64.4245 39.6485 20.277 -1.59147 19.8109 -29.9732 TIMING: 807400 CPU: 2424.98, 0.00296056/step Wall: 2424.98, 0.00296056/step, 3.44791 hours remaining, 208.160156 MB of memory in use. ENERGY: 807400 758.1607 2179.8362 1906.1784 112.2507 -206328.7806 17726.0695 0.0000 0.0000 34013.8347 -149632.4503 297.0513 -183646.2850 -149537.5367 298.2859 -123.0266 -89.9888 557162.7614 15.6972 15.6629 PRESSURE: 807600 52.9249 -16.9586 138.475 -16.9594 85.2522 128.128 138.476 128.129 -218.561 GPRESSURE: 807600 68.5355 -36.5744 50.3278 -57.1413 91.7413 173.694 148.192 160.552 -148.568 PRESSAVG: 807600 -14.8187 -37.2731 2.80281 -37.2731 16.9915 37.0068 2.80289 37.0068 -16.7542 GPRESSAVG: 807600 -15.2937 -37.7253 2.20729 -37.6604 17.8494 36.3143 1.94178 38.611 -17.5331 TIMING: 807600 CPU: 2425.58, 0.00297508/step Wall: 2425.58, 0.00297508/step, 3.46465 hours remaining, 208.160156 MB of memory in use. ENERGY: 807600 744.0699 2102.3178 1930.7112 109.4275 -206715.5343 17850.7952 0.0000 0.0000 34290.0189 -149688.1938 299.4633 -183978.2127 -149589.8967 297.6825 -26.7945 3.9030 556742.2537 -4.8605 -4.9925 PRESSURE: 807800 159.2 -48.4333 -49.4841 -48.4336 57.0483 -41.1644 -49.4844 -41.1629 233.378 GPRESSURE: 807800 201.634 -86.4174 11.1492 1.73675 77.0456 68.028 -16.4245 -196.564 274.075 PRESSAVG: 807800 37.6083 23.801 -57.7155 23.8008 47.0039 13.6552 -57.7155 13.6551 -45.6223 GPRESSAVG: 807800 37.2678 25.7077 -55.0303 22.3513 47.5423 14.2272 -58.3594 12.4386 -45.6551 TIMING: 807800 CPU: 2426.17, 0.00297629/step Wall: 2426.17, 0.00297629/step, 3.46589 hours remaining, 208.160156 MB of memory in use. ENERGY: 807800 783.9808 2166.3944 1932.3865 113.0845 -206971.2593 18200.8638 0.0000 0.0000 34337.9011 -149436.6482 299.8814 -183774.5493 -149350.9246 298.5710 149.8754 184.2515 557103.2305 12.9966 13.0516 PRESSURE: 808000 -58.8846 22.4649 -87.405 22.4647 280.782 -74.212 -87.4033 -74.2127 -228.702 GPRESSURE: 808000 -31.8951 -36.7968 -16.2068 81.4174 348.109 29.4589 -116.427 -138.939 -219.469 PRESSAVG: 808000 59.0178 33.0085 -12.6123 33.0085 -60.8999 -1.71697 -12.6123 -1.71715 22.8065 GPRESSAVG: 808000 58.5874 31.8861 -14.8326 35.7491 -60.6928 0.256012 -12.1633 -2.32073 22.6824 TIMING: 808000 CPU: 2426.77, 0.00298685/step Wall: 2426.77, 0.00298685/step, 3.47802 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: 808000 742.1479 2099.0359 1914.2559 113.3213 -206504.7970 18003.5019 0.0000 0.0000 34158.1400 -149474.3942 298.3115 -183632.5342 -149377.0466 299.4779 -2.2682 32.2483 556949.4653 6.9748 6.8590 PRESSURE: 808200 -277.829 -130.617 65.214 -130.617 -59.1033 -90.6574 65.2136 -90.6561 168.373 GPRESSURE: 808200 -275.058 -181.787 53.0035 -137.228 -0.202189 -29.2971 78.0588 -158.811 207.536 PRESSAVG: 808200 -60.8513 28.8561 -3.32457 28.8561 10.5396 -18.0159 -3.32458 -18.0159 7.96728 GPRESSAVG: 808200 -59.856 28.0038 -2.83513 26.4878 8.61007 -18.7551 -3.65537 -16.6674 8.00618 TIMING: 808200 CPU: 2427.36, 0.00294794/step Wall: 2427.36, 0.00294794/step, 3.43255 hours remaining, 208.160156 MB of memory in use. ENERGY: 808200 764.0424 2145.4196 1936.8023 118.3580 -206359.3798 17763.6627 0.0000 0.0000 34294.1579 -149336.9369 299.4994 -183631.0948 -149249.7947 299.0858 -56.1864 -22.5748 557198.3115 -14.1148 -14.4133 LDB: ============= START OF LOAD BALANCING ============== 2430.87 LDB: ============== END OF LOAD BALANCING =============== 2430.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2430.87 LDB: ============= START OF LOAD BALANCING ============== 2431.17 LDB: Largest compute 4773 load 0.026211 is 22.2% of average load 0.117996 LDB: Average compute 0.001723 is 1.5% of average load 0.117996 LDB: TIME 2431.17 LOAD: AVG 0.117996 MAX 0.203483 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.516 MB LDB: TIME 2431.17 LOAD: AVG 0.117996 MAX 0.203483 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.516 MB LDB: TIME 2431.17 LOAD: AVG 0.117996 MAX 0.203483 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.516 MB LDB: ============== END OF LOAD BALANCING =============== 2431.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2431.18 PRESSURE: 808400 -3.86309 24.5736 -32.3576 24.5722 -38.7389 -64.2342 -32.3582 -64.2333 -104.533 GPRESSURE: 808400 18.3843 -26.8019 -48.0481 76.6577 -47.7567 -4.30459 21.8956 -80.1028 -24.2076 PRESSAVG: 808400 10.0002 1.54553 7.45268 1.54545 3.16498 -41.0983 7.45265 -41.0983 -9.43969 GPRESSAVG: 808400 10.2849 2.45024 4.73419 3.36632 3.81739 -43.4594 9.56223 -41.6242 -10.1888 TIMING: 808400 CPU: 2427.96, 0.00301575/step Wall: 2427.96, 0.00301575/step, 3.51134 hours remaining, 206.105469 MB of memory in use. ENERGY: 808400 754.3105 2154.1312 1923.0535 107.5509 -206378.0676 17906.4713 0.0000 0.0000 34183.4264 -149349.1238 298.5324 -183532.5502 -149249.2044 299.3163 -49.0449 -17.8600 557118.2392 1.2418 1.3045 PRESSURE: 808600 -149.728 -73.5323 -40.8587 -73.5326 -293.812 -21.3609 -40.8593 -21.3613 -118.904 GPRESSURE: 808600 -112.071 -87.9453 -16.2028 -89.5663 -231.058 -19.3044 -74.2274 25.8512 -118.034 PRESSAVG: 808600 -29.2295 -15.7602 15.6705 -15.7602 -15.417 -4.3784 15.6705 -4.37837 13.8343 GPRESSAVG: 808600 -30.5724 -14.7025 16.1651 -17.8473 -15.4785 -2.29151 15.5913 -6.97873 15.1676 TIMING: 808600 CPU: 2428.56, 0.0029684/step Wall: 2428.56, 0.0029684/step, 3.45605 hours remaining, 206.105469 MB of memory in use. ENERGY: 808600 782.2287 2113.4184 1951.1178 119.5626 -206166.5649 17524.7818 0.0000 0.0000 34375.1576 -149300.2980 300.2068 -183675.4555 -149207.9597 299.0932 -187.4812 -153.7207 557825.0301 -10.2707 -10.2944 PRESSURE: 808800 -43.3108 -66.4114 -65.3204 -66.411 47.8486 117.973 -65.3212 117.973 -336.935 GPRESSURE: 808800 6.14591 -42.5758 -84.6593 -68.4834 57.8254 92.701 -52.4101 150.691 -298.383 PRESSAVG: 808800 18.4217 -54.5112 6.38601 -54.511 -5.64598 17.5366 6.38595 17.5367 70.5157 GPRESSAVG: 808800 18.2102 -55.5271 5.72071 -54.6286 -4.54677 16.6841 5.52948 19.5098 69.8558 TIMING: 808800 CPU: 2429.15, 0.00299596/step Wall: 2429.15, 0.00299596/step, 3.48796 hours remaining, 206.105469 MB of memory in use. ENERGY: 808800 733.1980 2064.0700 1919.2181 129.6530 -205989.9385 17576.5265 0.0000 0.0000 34357.3106 -149209.9622 300.0509 -183567.2728 -149103.8102 299.7177 -110.7991 -78.1373 558218.4041 27.7638 27.8397 PRESSURE: 809000 -157.826 -181.188 24.3035 -181.187 -223.583 5.95143 24.3024 5.95135 -116.496 GPRESSURE: 809000 -130.979 -199.993 -33.9229 -79.2405 -183.531 -2.17448 -40.2477 36.3617 -78.1019 PRESSAVG: 809000 15.8128 -1.4933 38.1183 -1.49336 -4.89624 54.9082 38.1183 54.9082 -12.5495 GPRESSAVG: 809000 15.8061 -2.91999 40.5453 1.05681 -4.79249 55.9267 37.3908 53.4361 -12.7144 TIMING: 809000 CPU: 2429.76, 0.00301756/step Wall: 2429.76, 0.00301756/step, 3.51294 hours remaining, 206.105469 MB of memory in use. ENERGY: 809000 744.9632 2110.8947 1954.7600 120.2156 -206043.3158 17713.8586 0.0000 0.0000 34160.0656 -149238.5582 298.3283 -183398.6237 -149146.2305 299.1619 -165.9683 -130.8707 558085.0913 -0.5443 -0.5669 PRESSURE: 809200 31.7457 -63.786 -110.352 -63.7856 21.0436 19.5038 -110.35 19.5028 5.43438 GPRESSURE: 809200 52.8273 -98.7587 -136.713 -0.0864056 92.4999 9.46102 -85.2847 93.5451 -0.77934 PRESSAVG: 809200 -4.92958 -10.2766 21.6462 -10.2766 -0.287393 28.0514 21.6462 28.0514 18.2639 GPRESSAVG: 809200 -3.25228 -8.52494 22.3911 -13.4652 -1.38417 29.5012 21.9272 28.369 18.4511 TIMING: 809200 CPU: 2430.36, 0.002988/step Wall: 2430.36, 0.002988/step, 3.47837 hours remaining, 206.105469 MB of memory in use. ENERGY: 809200 758.1849 2074.2613 1935.9474 132.2531 -206778.4971 18060.2413 0.0000 0.0000 34646.5257 -149171.0835 302.5767 -183817.6092 -149074.5947 299.7982 19.4079 48.1826 558369.1410 4.3490 4.6049 PRESSURE: 809400 89.5872 142.279 -74.2022 142.28 -71.8211 85.112 -74.2015 85.1111 153.894 GPRESSURE: 809400 152.826 164.476 -147.451 151.316 -62.3271 110.602 -58.0279 8.81335 176.107 PRESSAVG: 809400 -48.0144 -31.927 45.123 -31.927 111.374 11.5176 45.123 11.5176 -15.358 GPRESSAVG: 809400 -49.8349 -30.5296 43.8766 -31.7725 111.842 9.33183 45.0494 11.9116 -14.1193 TIMING: 809400 CPU: 2430.95, 0.00296838/step Wall: 2430.95, 0.00296838/step, 3.45536 hours remaining, 206.105469 MB of memory in use. ENERGY: 809400 798.9738 2091.2198 1945.2574 117.6788 -206169.8278 17790.3324 0.0000 0.0000 34215.5676 -149210.7981 298.8131 -183426.3657 -149116.8202 299.7410 57.2199 88.8688 558098.0819 16.0005 15.9626 PRESSURE: 809600 147.965 -16.9867 92.6449 -16.9884 93.4278 19.9051 92.6454 19.9059 -174.413 GPRESSURE: 809600 197.363 8.39609 19.6918 -75.4412 144.398 -8.05022 86.9984 -47.3086 -175.679 PRESSAVG: 809600 -66.6029 -45.0933 46.0276 -45.0932 56.8738 -8.35022 46.0275 -8.35016 -33.0432 GPRESSAVG: 809600 -65.5842 -44.6512 45.8901 -44.8405 56.1289 -7.03725 46.5522 -7.68096 -33.866 TIMING: 809600 CPU: 2431.55, 0.00300609/step Wall: 2431.55, 0.00300609/step, 3.49908 hours remaining, 206.105469 MB of memory in use. ENERGY: 809600 731.3073 2147.0872 1918.6399 108.4151 -206495.0051 17969.0035 0.0000 0.0000 34079.8739 -149540.6781 297.6280 -183620.5519 -149444.8012 298.7934 22.3266 55.3607 558800.5918 -14.2574 -14.4404 PRESSURE: 809800 -50.1422 -89.757 38.8075 -89.7559 78.3716 -85.4268 38.807 -85.4268 -44.7025 GPRESSURE: 809800 -55.0419 -126.293 25.2253 -33.0308 66.7656 -90.1435 14.577 -103.956 71.7576 PRESSAVG: 809800 46.2516 -22.8154 18.2965 -22.8154 9.90792 -42.696 18.2966 -42.6961 -32.0437 GPRESSAVG: 809800 44.812 -26.8946 21.0798 -21.267 10.8335 -42.8017 15.4359 -41.9824 -31.3115 TIMING: 809800 CPU: 2432.15, 0.00300914/step Wall: 2432.15, 0.00300914/step, 3.50247 hours remaining, 206.105469 MB of memory in use. ENERGY: 809800 732.4732 2102.7339 1928.6924 103.1523 -206234.7643 17754.1832 0.0000 0.0000 34017.9671 -149595.5622 297.0874 -183613.5293 -149492.8182 298.4251 -5.4910 27.8271 558481.3912 8.0386 8.1114 PRESSURE: 810000 87.5946 -127.547 -18.5558 -127.549 29.3469 -33.6601 -18.5553 -33.6613 296.852 GPRESSURE: 810000 139.985 -68.7554 -131.513 -151.937 63.4197 16.2131 33.2685 -7.71029 296.402 PRESSAVG: 810000 -13.7437 -26.749 81.7127 -26.749 14.056 -62.065 81.7127 -62.065 1.44678 GPRESSAVG: 810000 -12.8588 -22.1701 81.482 -28.0811 12.9709 -63.0158 82.2197 -61.4502 1.88172 TIMING: 810000 CPU: 2432.75, 0.00299211/step Wall: 2432.75, 0.00299211/step, 3.48248 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: 810000 744.0449 2202.6713 1952.8512 129.4650 -206804.2050 17971.2358 0.0000 0.0000 34233.5798 -149570.3570 298.9704 -183803.9368 -149480.5780 298.2134 137.9312 166.6023 555987.4503 0.5864 0.6646 PRESSURE: 810200 -446.335 -85.7217 106.403 -85.7215 -216.639 -82.7356 106.403 -82.7388 -225.904 GPRESSURE: 810200 -398.324 -106.51 106.712 -29.8285 -176.108 -18.4406 66.4712 -36.0927 -215.798 PRESSAVG: 810200 -63.8024 -62.1519 25.0038 -62.1518 -20.3847 49.6355 25.0038 49.6356 107.736 GPRESSAVG: 810200 -61.5725 -63.8042 22.925 -61.1249 -20.4258 49.6999 27.4628 48.5841 105.547 TIMING: 810200 CPU: 2433.35, 0.00297432/step Wall: 2433.35, 0.00297432/step, 3.46161 hours remaining, 206.105469 MB of memory in use. ENERGY: 810200 758.1384 2101.4278 1924.7925 117.7661 -205807.5126 17192.2712 0.0000 0.0000 34264.7092 -149448.4075 299.2422 -183713.1167 -149358.6416 297.8343 -296.2927 -263.4099 557884.6063 7.8498 7.8497 PRESSURE: 810400 285.624 76.8326 -12.8702 76.8325 -94.3747 85.285 -12.8706 85.2855 -215.63 GPRESSURE: 810400 336.425 156.939 -26.2237 0.447461 -76.8539 94.0348 -19.5342 149.675 -207.1 PRESSAVG: 810400 69.2765 5.22912 -26.3247 5.22913 -59.1142 39.6991 -26.3248 39.6991 12.2059 GPRESSAVG: 810400 66.7689 2.77888 -24.4133 6.43598 -59.5019 39.6802 -28.9718 40.2391 13.6139 TIMING: 810400 CPU: 2433.95, 0.00299725/step Wall: 2433.95, 0.00299725/step, 3.48814 hours remaining, 206.105469 MB of memory in use. ENERGY: 810400 738.9051 2060.5036 1956.8234 124.7135 -206404.7888 17782.1263 0.0000 0.0000 34173.9824 -149567.7345 298.4499 -183741.7169 -149464.6897 298.2923 -8.1267 17.4904 556945.7689 7.4561 6.9603 PRESSURE: 810600 -117.891 -17.4932 -58.0591 -17.4916 63.1631 -49.4599 -58.0607 -49.4585 241.78 GPRESSURE: 810600 -87.307 -5.97191 -89.8183 3.43556 88.4565 -42.8729 -10.9807 -0.98831 282.355 PRESSAVG: 810600 64.4995 4.47962 -66.0338 4.47964 -90.7149 33.7023 -66.0338 33.7022 18.4159 GPRESSAVG: 810600 64.5301 7.24768 -67.5006 3.69484 -90.4608 34.1275 -64.442 33.3542 17.6015 TIMING: 810600 CPU: 2434.56, 0.00304939/step Wall: 2434.56, 0.00304939/step, 3.54865 hours remaining, 206.105469 MB of memory in use. ENERGY: 810600 742.0056 2077.8227 1935.5318 123.3490 -206098.7557 17801.6378 0.0000 0.0000 33905.2544 -149513.1544 296.1030 -183418.4088 -149416.6074 298.5707 62.3509 94.5015 555497.1985 -2.5998 -2.7764 PRESSURE: 810800 35.8955 123.272 108.778 123.272 80.2544 10.7304 108.778 10.7315 -16.6629 GPRESSURE: 810800 103.553 160.41 41.8251 116.118 99.8262 18.3678 96.6364 -17.2791 3.59483 PRESSAVG: 810800 -41.8616 16.7634 30.9046 16.7634 50.0908 -3.71745 30.9046 -3.71742 6.6502 GPRESSAVG: 810800 -41.9515 16.5225 31.4471 17.7547 50.6978 -4.73476 30.2019 -2.31375 6.62531 TIMING: 810800 CPU: 2435.15, 0.00298519/step Wall: 2435.15, 0.00298519/step, 3.47376 hours remaining, 206.105469 MB of memory in use. ENERGY: 810800 740.4429 2126.2416 1916.9921 118.3865 -206627.5100 17925.0332 0.0000 0.0000 34266.0620 -149534.3517 299.2540 -183800.4137 -149446.0536 298.3737 33.1623 68.9912 554924.8408 4.9598 5.1239 PRESSURE: 811000 -131.727 -120.004 51.6723 -120.003 -60.832 -126.775 51.6721 -126.776 238.992 GPRESSURE: 811000 -94.5497 -194.921 102.706 -117.853 -63.4814 -152.558 6.6362 -77.5693 306.645 PRESSAVG: 811000 -27.4304 3.14831 0.679552 3.14845 -5.642 55.0703 0.679636 55.0703 72.2829 GPRESSAVG: 811000 -27.7331 3.48622 0.169817 2.75437 -5.07689 56.6503 2.05635 53.5732 72.0466 TIMING: 811000 CPU: 2435.75, 0.00299189/step Wall: 2435.75, 0.00299189/step, 3.4814 hours remaining, 206.105469 MB of memory in use. ENERGY: 811000 743.8570 2139.0229 1938.0799 109.1907 -206427.1821 17831.7067 0.0000 0.0000 34006.6093 -149658.7156 296.9882 -183665.3249 -149561.7518 298.0393 15.4778 49.5380 555968.8673 13.0702 13.0789 PRESSURE: 811200 316.418 17.348 -253.454 17.3474 11.9971 23.2473 -253.454 23.2471 524.769 GPRESSURE: 811200 374.129 -64.6334 -303.629 13.721 67.9075 79.9751 -278.559 2.35516 512.863 PRESSAVG: 811200 11.0592 -22.5066 -33.9531 -22.5066 -23.3837 10.5967 -33.9531 10.5967 -6.20704 GPRESSAVG: 811200 11.0735 -24.1021 -33.9433 -21.8465 -23.2331 10.8412 -34.0358 11.3785 -6.07422 TIMING: 811200 CPU: 2436.35, 0.00301619/step Wall: 2436.35, 0.00301619/step, 3.5095 hours remaining, 206.105469 MB of memory in use. ENERGY: 811200 749.7912 2084.4818 1925.6647 118.7965 -207112.7466 18383.5293 0.0000 0.0000 34223.8112 -149626.6718 298.8851 -183850.4830 -149533.8278 298.6958 284.3947 318.3000 555010.1981 -6.1772 -6.0779 PRESSURE: 811400 174.675 -42.8516 67.8406 -42.8504 7.19084 80.8337 67.8407 80.8326 -186.651 GPRESSURE: 811400 223.174 -98.1184 -1.38747 -18.0593 19.1062 97.3386 164.349 100.009 -145.867 PRESSAVG: 811400 24.8958 9.42965 -24.1664 9.42962 -25.6643 16.5891 -24.1664 16.5891 32.4956 GPRESSAVG: 811400 26.5009 11.6377 -24.1305 7.96372 -26.4935 19.2692 -23.3299 13.8425 32.3563 TIMING: 811400 CPU: 2436.95, 0.00297976/step Wall: 2436.95, 0.00297975/step, 3.46694 hours remaining, 206.105469 MB of memory in use. ENERGY: 811400 761.0776 2056.9294 1919.0915 117.1973 -206324.2973 17843.8987 0.0000 0.0000 34154.4512 -149471.6516 298.2793 -183626.1027 -149379.5541 299.0445 -1.5953 32.1376 556979.2464 10.5757 10.7879 PRESSURE: 811600 55.5699 160.342 -0.325833 160.341 -316.842 69.0584 -0.326003 69.0584 -68.3683 GPRESSURE: 811600 98.4832 277.301 -52.3306 168.909 -264.778 101.824 10.9811 32.419 -61.1535 PRESSAVG: 811600 26.1889 25.1902 -2.64604 25.1902 -20.2424 20.0753 -2.64602 20.0753 2.79917 GPRESSAVG: 811600 25.585 24.2626 -2.86432 25.8552 -20.5963 18.1834 -2.15272 22.0025 3.55288 TIMING: 811600 CPU: 2437.54, 0.00296385/step Wall: 2437.54, 0.00296385/step, 3.44827 hours remaining, 206.105469 MB of memory in use. ENERGY: 811600 741.7214 2077.0966 1929.4526 113.7400 -206446.1362 17763.5734 0.0000 0.0000 34262.6391 -149557.9132 299.2241 -183820.5523 -149459.0859 298.8564 -109.8803 -75.8160 557487.4919 2.9152 2.8472 PRESSURE: 811800 -154.462 -111.797 42.5488 -111.797 14.3262 176.531 42.5506 176.532 -33.7289 GPRESSURE: 811800 -38.0522 -76.3333 -27.5464 -200.693 -45.103 187.383 95.5144 170.71 18.4494 PRESSAVG: 811800 4.76767 37.1672 45.6001 37.1672 -30.4585 43.0503 45.6002 43.0503 32.6352 GPRESSAVG: 811800 5.47759 35.4572 46.6291 39.017 -30.9465 43.3793 43.3633 42.5876 32.3952 TIMING: 811800 CPU: 2438.14, 0.00297123/step Wall: 2438.14, 0.00297123/step, 3.4567 hours remaining, 206.105469 MB of memory in use. ENERGY: 811800 768.5549 2087.3678 1926.3877 121.7582 -206491.5343 17848.6278 0.0000 0.0000 34145.6429 -149593.1949 298.2024 -183738.8379 -149503.6333 298.3973 -57.9551 -21.5686 557051.6097 2.3148 2.3088 PRESSURE: 812000 163.858 -78.011 -48.5772 -78.0103 -130.008 175.038 -48.5756 175.037 21.6645 GPRESSURE: 812000 225.277 -63.8862 0.955469 -64.0516 -98.3384 204.101 13.0009 146.393 25.2266 PRESSAVG: 812000 35.7205 19.2766 -19.2227 19.2766 -15.0797 44.2143 -19.2227 44.2144 5.47493 GPRESSAVG: 812000 35.4696 20.22 -19.2072 16.0414 -15.412 43.4244 -19.2211 47.5765 5.92822 TIMING: 812000 CPU: 2438.73, 0.00298273/step Wall: 2438.73, 0.00298273/step, 3.46991 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: 812000 693.0833 2135.1939 1904.5454 116.3972 -206008.3963 17589.8431 0.0000 0.0000 34056.0370 -149513.2964 297.4198 -183569.3334 -149415.3017 298.6369 18.5045 50.7216 556650.6320 8.7053 8.6620 PRESSURE: 812200 99.5965 -48.7112 79.6371 -48.7096 -61.454 -0.321463 79.6363 -0.320195 -221.491 GPRESSURE: 812200 111.865 -21.5459 21.4783 10.5761 -49.8986 104.2 59.8552 -23.1449 -146.25 PRESSAVG: 812200 50.4585 9.53254 17.9165 9.53251 -38.2008 29.2913 17.9165 29.2913 -32.2458 GPRESSAVG: 812200 51.1417 10.3978 17.8363 10.2418 -37.3205 29.5828 16.847 27.3564 -32.7849 TIMING: 812200 CPU: 2439.33, 0.00299817/step Wall: 2439.33, 0.00299817/step, 3.4877 hours remaining, 206.105469 MB of memory in use. ENERGY: 812200 747.6243 2116.2946 1917.2213 111.9393 -206204.7684 17823.2408 0.0000 0.0000 34198.0147 -149290.4334 298.6598 -183488.4481 -149187.5493 298.5030 -61.1161 -28.0943 557096.7480 -6.6627 -6.3212 LDB: ============= START OF LOAD BALANCING ============== 2442.85 LDB: ============== END OF LOAD BALANCING =============== 2442.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2442.85 LDB: ============= START OF LOAD BALANCING ============== 2443.15 LDB: Largest compute 4794 load 0.026790 is 22.7% of average load 0.117980 LDB: Average compute 0.001731 is 1.5% of average load 0.117980 LDB: TIME 2443.15 LOAD: AVG 0.11798 MAX 0.202786 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.641 MB LDB: TIME 2443.15 LOAD: AVG 0.11798 MAX 0.202786 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.844 MB LDB: TIME 2443.15 LOAD: AVG 0.11798 MAX 0.202786 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.844 MB LDB: ============== END OF LOAD BALANCING =============== 2443.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2443.16 PRESSURE: 812400 -27.6451 -78.3826 -67.1265 -78.383 -49.5923 -148.225 -67.1272 -148.225 0.97601 GPRESSURE: 812400 34.5264 -129.77 -170.857 -2.6939 -20.469 -241.292 -71.2887 -95.3212 13.3208 PRESSAVG: 812400 40.3691 -15.9335 25.0099 -15.9334 -16.3018 -8.33516 25.01 -8.33509 -40.3836 GPRESSAVG: 812400 39.0544 -16.7043 22.1952 -15.0666 -14.7567 -8.0313 25.4829 -10.1808 -40.4111 TIMING: 812400 CPU: 2439.94, 0.0030282/step Wall: 2439.94, 0.0030282/step, 3.52247 hours remaining, 208.671875 MB of memory in use. ENERGY: 812400 780.1703 2090.6179 1939.4871 109.4139 -206365.1985 17908.3041 0.0000 0.0000 34296.3855 -149240.8197 299.5189 -183537.2052 -149150.2773 298.9627 -25.4205 9.1261 556663.3050 -5.4388 -5.3711 PRESSURE: 812600 18.7865 152.262 -126.86 152.262 199.073 -71.5907 -126.859 -71.5898 308.871 GPRESSURE: 812600 55.5312 84.5715 -73.0774 176.039 196.547 -91.2245 -88.4493 -97.3871 370.141 PRESSAVG: 812600 35.9485 51.8124 44.5916 51.8124 -28.8403 -40.3599 44.5916 -40.36 20.7227 GPRESSAVG: 812600 36.1862 51.5399 47.0467 50.438 -29.1188 -39.9244 44.2084 -39.9373 20.6229 TIMING: 812600 CPU: 2440.53, 0.00297166/step Wall: 2440.53, 0.00297166/step, 3.45654 hours remaining, 208.742188 MB of memory in use. ENERGY: 812600 748.0970 2078.6599 1917.9497 111.6941 -206668.8231 18167.3051 0.0000 0.0000 34252.5922 -149392.5251 299.1364 -183645.1173 -149291.4166 299.1327 175.5768 207.4065 555901.3722 9.2770 9.2301 PRESSURE: 812800 -30.3608 -26.3555 85.527 -26.355 -136.106 -108.505 85.5264 -108.505 -74.3208 GPRESSURE: 812800 10.2677 11.5821 156.585 -29.2157 -116.351 16.0477 62.8837 -151.487 -30.6805 PRESSAVG: 812800 3.52817 5.24856 1.62924 5.24844 -56.2222 -9.44266 1.6292 -9.44259 41.6254 GPRESSAVG: 812800 5.10441 7.25419 -0.144903 4.83638 -56.7833 -10.3838 2.7715 -9.52357 40.9125 TIMING: 812800 CPU: 2441.13, 0.00296679/step Wall: 2441.13, 0.00296679/step, 3.4507 hours remaining, 208.742188 MB of memory in use. ENERGY: 812800 766.6919 2026.7792 1899.7408 112.5689 -206097.4348 17645.2994 0.0000 0.0000 34379.9402 -149266.4144 300.2486 -183646.3546 -149176.7762 299.2283 -80.2625 -45.5880 557191.1176 -3.6895 -3.5888 PRESSURE: 813000 -96.5461 -37.5127 42.5033 -37.5127 -43.4033 171.77 42.5019 171.769 174.528 GPRESSURE: 813000 5.05311 -58.4922 68.2386 42.2499 -57.4745 197.286 36.7694 222.611 184.776 PRESSAVG: 813000 -14.8552 0.840447 -6.70707 0.840425 -9.40027 42.2304 -6.7071 42.2303 6.10258 GPRESSAVG: 813000 -16.0141 -1.00262 -5.0681 1.98463 -9.49061 44.6174 -6.64337 41.4299 6.80148 TIMING: 813000 CPU: 2441.72, 0.00297967/step Wall: 2441.72, 0.00297967/step, 3.46552 hours remaining, 208.742188 MB of memory in use. ENERGY: 813000 744.0979 2029.9545 1923.2392 102.8893 -206260.3072 17889.5764 0.0000 0.0000 34438.0718 -149132.4780 300.7562 -183570.5498 -149037.5168 299.6382 11.5261 44.1181 557018.5737 -6.0510 -6.2344 PRESSURE: 813200 98.3285 83.5487 -63.2586 83.5492 -17.3446 -16.8569 -63.2586 -16.8574 -121.349 GPRESSURE: 813200 156.769 54.7283 -112.424 146.825 50.4499 -29.5566 -49.1419 -19.2334 -139.857 PRESSAVG: 813200 0.575247 41.3523 -24.2659 41.3524 7.17963 -27.2487 -24.2657 -27.2487 36.8644 GPRESSAVG: 813200 0.359562 41.2909 -24.8216 42.1837 6.88348 -29.8886 -24.4442 -27.4664 37.5751 TIMING: 813200 CPU: 2442.31, 0.00295877/step Wall: 2442.31, 0.00295877/step, 3.44105 hours remaining, 208.742188 MB of memory in use. ENERGY: 813200 740.7535 2090.0504 1924.5837 102.1885 -206149.9921 17750.4351 0.0000 0.0000 34389.2390 -149152.7418 300.3298 -183541.9808 -149046.6471 299.4802 -13.4551 22.4540 557175.8564 14.8731 14.9394 PRESSURE: 813400 -17.4062 285.42 29.8443 285.42 43.7457 34.9619 29.8439 34.9622 85.9126 GPRESSURE: 813400 63.7268 230.337 67.2767 309.305 66.2099 42.898 -114.6 6.37317 74.6639 PRESSAVG: 813400 47.0487 55.626 15.5723 55.6259 14.285 50.3954 15.5722 50.3955 -12.0964 GPRESSAVG: 813400 49.4511 56.2913 17.1283 54.1631 13.0802 50.0532 14.7639 52.2183 -13.0461 TIMING: 813400 CPU: 2442.91, 0.00300324/step Wall: 2442.91, 0.00300324/step, 3.4926 hours remaining, 208.742188 MB of memory in use. ENERGY: 813400 718.4841 2059.7476 1919.6607 116.7393 -206063.2799 17787.0867 0.0000 0.0000 34360.6338 -149100.9278 300.0800 -183461.5616 -149005.6178 299.8713 37.4174 68.2002 556472.6837 16.4124 16.4951 PRESSURE: 813600 -82.0662 -96.3742 -56.7423 -96.3751 -70.6078 -80.1755 -56.7433 -80.1777 -239.617 GPRESSURE: 813600 -68.6593 4.29672 -39.9809 -124.838 -74.2219 -99.3626 -10.3693 -181.701 -150.611 PRESSAVG: 813600 64.8783 81.4183 8.32538 81.4183 6.14442 -2.13507 8.32538 -2.13523 20.8505 GPRESSAVG: 813600 61.4602 81.1165 9.03849 82.8357 7.48169 -1.24026 9.25815 -3.91891 23.1455 TIMING: 813600 CPU: 2443.52, 0.00302025/step Wall: 2443.52, 0.00302025/step, 3.51221 hours remaining, 208.742188 MB of memory in use. ENERGY: 813600 769.3904 2060.3771 1937.2023 109.0478 -206140.1533 17663.5171 0.0000 0.0000 34461.1509 -149139.4675 300.9578 -183600.6184 -149046.6458 300.1749 -130.7638 -97.8309 555698.8412 30.6244 30.6958 PRESSURE: 813800 64.5688 -78.2218 29.1009 -78.2215 8.30219 -29.0164 29.1017 -29.0163 -216.717 GPRESSURE: 813800 70.4094 -78.7463 67.7657 -23.2326 36.7908 -121.122 11.6842 13.604 -151.927 PRESSAVG: 813800 -6.06084 -18.6774 -45.274 -18.6774 5.73834 -6.08772 -45.274 -6.08773 3.11803 GPRESSAVG: 813800 -4.68297 -18.1584 -45.7558 -19.0786 6.01149 -6.00219 -44.9987 -7.11598 1.06461 TIMING: 813800 CPU: 2444.12, 0.00299843/step Wall: 2444.12, 0.00299843/step, 3.48668 hours remaining, 208.742188 MB of memory in use. ENERGY: 813800 702.3678 2068.3110 1916.2528 104.6784 -205706.7055 17477.2677 0.0000 0.0000 34366.8334 -149070.9944 300.1341 -183437.8278 -148971.8651 299.7387 -47.9487 -14.9090 557385.7805 0.9318 0.7977 PRESSURE: 814000 -173.248 74.8003 49.0497 74.8 -27.0438 -61.4371 49.0501 -61.435 -146.765 GPRESSURE: 814000 -119.473 138.322 195.548 20.9286 -13.5518 -3.41731 -41.5814 -88.7508 -133.62 PRESSAVG: 814000 37.2298 -7.44089 -65.7071 -7.44085 5.20491 0.169417 -65.707 0.169527 -46.7986 GPRESSAVG: 814000 38.1045 -7.05202 -65.6052 -8.46077 3.92268 -0.493704 -67.2903 1.23995 -46.5333 TIMING: 814000 CPU: 2444.71, 0.00296332/step Wall: 2444.71, 0.00296332/step, 3.44569 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: 814000 788.4002 2081.5700 1924.1441 111.9773 -205909.1714 17645.8660 0.0000 0.0000 34274.9222 -149082.2917 299.3314 -183357.2138 -148987.0154 299.3794 -115.6857 -88.8815 557262.7629 -1.4546 -1.5021 PRESSURE: 814200 -14.055 110.041 -18.4498 110.04 282.778 -124.379 -18.4505 -124.38 -42.7415 GPRESSURE: 814200 -45.311 61.3943 49.229 79.2564 352.086 -138.965 -19.0177 -104.04 15.1166 PRESSAVG: 814200 -11.4803 -1.80024 29.0953 -1.80024 21.0686 -15.6799 29.0953 -15.6799 4.1272 GPRESSAVG: 814200 -12.729 -2.66998 29.5326 -0.420167 21.9667 -14.9211 29.087 -15.815 4.94041 TIMING: 814200 CPU: 2445.31, 0.00297611/step Wall: 2445.31, 0.00297611/step, 3.46039 hours remaining, 208.742188 MB of memory in use. ENERGY: 814200 746.9625 2115.7339 1933.3577 115.6502 -206134.9743 17925.3917 0.0000 0.0000 34303.3664 -148994.5120 299.5798 -183297.8783 -148892.5908 299.2876 75.3272 107.2970 556813.7240 4.5718 4.7260 PRESSURE: 814400 -63.847 -14.1241 -255.821 -14.1237 -340.966 -63.0816 -255.82 -63.0829 -277.657 GPRESSURE: 814400 -60.164 -4.82847 -340.206 74.1795 -273.158 -44.2275 -137.481 -149.741 -242.873 PRESSAVG: 814400 -29.3965 9.27955 -22.9717 9.27944 48.9897 -14.5462 -22.9716 -14.5462 -17.4401 GPRESSAVG: 814400 -28.5221 9.27958 -24.0507 9.72518 49.5271 -13.9535 -23.1054 -14.7766 -18.6976 TIMING: 814400 CPU: 2445.9, 0.00299125/step Wall: 2445.9, 0.00299125/step, 3.47783 hours remaining, 208.742188 MB of memory in use. ENERGY: 814400 756.7520 2064.5071 1937.1807 111.7100 -205487.9403 17457.1208 0.0000 0.0000 34168.8013 -148991.8684 298.4046 -183160.6696 -148893.3066 299.5567 -227.4899 -192.0653 559340.6773 0.7177 0.7691 PRESSURE: 814600 34.7288 13.4217 64.5318 13.4223 97.7986 80.483 64.5309 80.4853 -139.898 GPRESSURE: 814600 95.6861 5.51547 57.723 -26.1905 94.468 82.2848 33.4628 27.8164 -97.0826 PRESSAVG: 814600 -33.0987 23.4161 -39.582 23.4161 59.6 -32.8537 -39.582 -32.8538 -31.8377 GPRESSAVG: 814600 -33.6302 23.2483 -40.8556 24.037 59.4705 -35.2415 -38.7426 -32.6659 -31.1572 TIMING: 814600 CPU: 2446.5, 0.00299117/step Wall: 2446.5, 0.00299117/step, 3.47756 hours remaining, 208.742188 MB of memory in use. ENERGY: 814600 715.6829 2076.0278 1927.7764 123.8142 -206100.3618 17957.5204 0.0000 0.0000 34223.2970 -149076.2431 298.8806 -183299.5402 -148979.7913 299.0733 -2.4569 31.0239 559365.5114 -1.7788 -1.7723 PRESSURE: 814800 65.5823 175.475 -47.2755 175.475 -125.221 -98.4426 -47.2746 -98.4416 -37.1523 GPRESSURE: 814800 86.3558 191.135 -20.3417 200.663 -74.0982 -106.396 -6.1833 -62.0684 -15.0447 PRESSAVG: 814800 10.2898 10.5793 -13.1399 10.5792 -6.80338 -28.1941 -13.14 -28.1941 -33.6722 GPRESSAVG: 814800 11.0564 12.5794 -12.1768 8.44397 -6.62592 -27.4304 -12.3064 -28.8679 -34.6105 TIMING: 814800 CPU: 2447.09, 0.00296048/step Wall: 2447.09, 0.00296048/step, 3.44173 hours remaining, 208.742188 MB of memory in use. ENERGY: 814800 748.8910 2134.0634 1899.0904 115.1313 -206060.4444 17665.0751 0.0000 0.0000 34302.6827 -149195.5104 299.5739 -183498.1932 -149096.6788 298.7831 -32.2637 -0.9291 558353.6877 -10.0619 -10.0600 PRESSURE: 815000 -248.7 -114.197 -190.195 -114.199 4.53351 166.442 -190.196 166.441 -53.6904 GPRESSURE: 815000 -163.583 -12.5495 -196.998 -127.095 -23.5635 155.823 -202.605 150.941 -29.8119 PRESSAVG: 815000 4.42804 -7.07853 -21.817 -7.0785 7.07095 8.95372 -21.817 8.95375 -23.8938 GPRESSAVG: 815000 4.19799 -9.35905 -21.6758 -4.45054 6.01787 9.31329 -23.6628 8.89359 -22.4325 TIMING: 815000 CPU: 2447.69, 0.00297115/step Wall: 2447.69, 0.00297115/step, 3.45397 hours remaining, 208.742188 MB of memory in use. ENERGY: 815000 742.3324 2092.4353 1952.0402 115.3737 -206285.3541 17879.3564 0.0000 0.0000 34236.5145 -149267.3017 298.9960 -183503.8162 -149164.7686 299.6160 -99.2855 -72.3196 557294.6371 -4.1316 -4.0722 PRESSURE: 815200 58.4767 -140.762 -11.1274 -140.761 -118.094 148.695 -11.1292 148.694 77.6311 GPRESSURE: 815200 38.0666 -153.241 86.5983 -173.875 -61.2577 199.899 -96.5488 82.8059 142.129 PRESSAVG: 815200 -56.2913 3.28715 -9.77221 3.28708 5.78709 17.3084 -9.77212 17.3083 20.4926 GPRESSAVG: 815200 -57.3756 3.95503 -9.11326 3.485 6.98632 15.934 -9.69837 18.5983 20.0293 TIMING: 815200 CPU: 2448.28, 0.00297363/step Wall: 2448.28, 0.00297363/step, 3.45668 hours remaining, 208.742188 MB of memory in use. ENERGY: 815200 751.9440 2053.3551 1936.7997 115.8266 -206159.0002 17858.9505 0.0000 0.0000 34307.8960 -149134.2283 299.6194 -183442.1243 -149034.9034 299.5424 6.0045 39.6460 557616.3992 -10.0039 -10.1200 PRESSURE: 815400 165.726 61.3092 -164.48 61.3111 73.8442 -63.5728 -164.479 -63.573 -39.7551 GPRESSURE: 815400 192.194 124.562 -180.813 -28.0483 110.251 -70.0644 -91.1494 -98.6487 -9.77028 PRESSAVG: 815400 -46.0424 9.85268 24.0945 9.85268 26.7732 -35.5915 24.0944 -35.5915 -32.8967 GPRESSAVG: 815400 -45.1743 8.99177 24.4164 8.67096 26.5693 -34.6664 24.6318 -36.9982 -33.6752 TIMING: 815400 CPU: 2448.88, 0.00298423/step Wall: 2448.88, 0.00298423/step, 3.46884 hours remaining, 208.742188 MB of memory in use. ENERGY: 815400 726.4169 2109.4559 1918.7958 107.4245 -206115.3032 17706.8328 0.0000 0.0000 34312.2476 -149234.1296 299.6574 -183546.3772 -149145.9666 299.3511 66.6049 97.5582 556628.1531 -17.3886 -17.4268 PRESSURE: 815600 -5.2203 56.6025 -195.38 56.6032 -79.8583 -11.6637 -195.38 -11.6647 -132.856 GPRESSURE: 815600 38.9936 -52.447 -152.061 53.4256 -61.5201 -62.6637 -213.375 66.4136 -88.9281 PRESSAVG: 815600 -48.008 -21.2473 3.33737 -21.2473 19.0569 14.8219 3.33743 14.8219 5.94359 GPRESSAVG: 815600 -48.6881 -20.9025 1.75326 -22.9663 18.2378 16.6533 4.87616 15.2186 6.60517 TIMING: 815600 CPU: 2449.47, 0.00296336/step Wall: 2449.47, 0.00296336/step, 3.44442 hours remaining, 208.742188 MB of memory in use. ENERGY: 815600 719.1742 2121.1877 1898.8568 119.5728 -205864.8958 17717.4059 0.0000 0.0000 34065.7267 -149222.9716 297.5045 -183288.6983 -149126.6665 299.0551 -72.6449 -37.1515 556405.6003 -7.6692 -7.9484 PRESSURE: 815800 -1.72371 -65.3201 21.3383 -65.3194 -81.9149 -19.9812 21.3384 -19.9822 41.3441 GPRESSURE: 815800 27.1123 -73.185 19.5672 -64.2531 -56.7508 83.1138 -13.6572 -107.697 79.8576 PRESSAVG: 815800 -24.1696 -34.7248 9.00629 -34.7249 -12.1128 -19.0754 9.00623 -19.0753 31.2889 GPRESSAVG: 815800 -23.3568 -34.7778 10.3495 -32.6742 -13.1384 -20.7635 7.09213 -17.663 31.1919 TIMING: 815800 CPU: 2450.07, 0.00297795/step Wall: 2450.07, 0.00297795/step, 3.46121 hours remaining, 208.742188 MB of memory in use. ENERGY: 815800 729.1759 2084.2357 1904.5400 114.3424 -206175.2945 17811.1690 0.0000 0.0000 34289.2267 -149242.6048 299.4563 -183531.8315 -149142.8125 299.1386 -14.0982 16.7397 557063.3259 -1.6645 -1.7678 PRESSURE: 816000 -57.5243 12.0652 -166.668 12.0647 306.75 -122.683 -166.667 -122.683 177.989 GPRESSURE: 816000 -22.9769 -20.9598 -165.289 -25.448 340.512 -118.623 -165.466 -122.09 206.1 PRESSAVG: 816000 -25.1368 17.2141 29.441 17.2141 48.567 -38.6759 29.4409 -38.6759 15.5512 GPRESSAVG: 816000 -25.3413 17.7573 28.4254 16.0737 49.0016 -39.6106 28.9618 -39.4949 16.0456 TIMING: 816000 CPU: 2450.67, 0.0029874/step Wall: 2450.67, 0.0029874/step, 3.47202 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: 816000 689.0152 2093.0651 1916.0640 106.4615 -206416.0654 17943.3236 0.0000 0.0000 34266.4444 -149401.6916 299.2574 -183668.1360 -149307.2749 299.0986 142.4049 174.5449 556544.2877 12.9938 13.2353 PRESSURE: 816200 4.52678 -56.0868 136.096 -56.0868 153.725 -55.0325 136.097 -55.0334 194.269 GPRESSURE: 816200 -41.3196 -21.3348 144.023 -78.1343 240.982 -63.7064 116.153 -43.9067 244.54 PRESSAVG: 816200 -37.9726 -16.1939 21.5837 -16.1937 4.43062 -2.91608 21.5837 -2.91612 23.1869 GPRESSAVG: 816200 -37.2661 -15.8271 23.1437 -16.1351 4.22834 -2.53398 23.7039 -0.334059 23.1515 TIMING: 816200 CPU: 2451.26, 0.00296421/step Wall: 2451.26, 0.00296421/step, 3.44491 hours remaining, 208.742188 MB of memory in use. ENERGY: 816200 735.4733 2107.7348 1920.6138 117.3924 -206280.3042 17923.5165 0.0000 0.0000 34120.7162 -149354.8574 297.9847 -183475.5735 -149259.3843 299.3469 117.5071 148.0675 556896.7771 -3.4517 -3.2954 LDB: ============= START OF LOAD BALANCING ============== 2454.78 LDB: ============== END OF LOAD BALANCING =============== 2454.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2454.78 LDB: ============= START OF LOAD BALANCING ============== 2455.08 LDB: Largest compute 4794 load 0.026652 is 22.6% of average load 0.117807 LDB: Average compute 0.001742 is 1.5% of average load 0.117807 LDB: TIME 2455.08 LOAD: AVG 0.117807 MAX 0.205791 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.219 MB LDB: TIME 2455.08 LOAD: AVG 0.117807 MAX 0.205791 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.422 MB LDB: TIME 2455.08 LOAD: AVG 0.117807 MAX 0.205791 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.422 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2455.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2455.09 PRESSURE: 816400 -186.843 -174.361 -16.9031 -174.362 -96.7787 -22.8052 -16.9038 -22.8059 24.808 GPRESSURE: 816400 -102.546 -143.514 42.9294 -129.354 -105.222 -17.1384 -58.1767 -27.9919 49.5783 PRESSAVG: 816400 -2.57595 6.40819 13.6402 6.40815 -0.990391 -81.4158 13.6402 -81.4159 39.247 GPRESSAVG: 816400 -2.93352 7.98438 12.4379 4.78794 -0.260445 -80.3531 12.4633 -81.9092 38.8185 TIMING: 816400 CPU: 2451.87, 0.00306291/step Wall: 2451.87, 0.00306291/step, 3.55944 hours remaining, 208.667969 MB of memory in use. ENERGY: 816400 707.2175 2017.3579 1916.8509 101.1244 -206073.4146 17524.7886 0.0000 0.0000 34209.4467 -149596.6285 298.7596 -183806.0752 -149509.4146 298.9992 -86.2714 -52.7296 558065.8181 11.8935 11.8748 PRESSURE: 816600 -150.4 -57.4884 49.2716 -57.4871 -99.9186 35.1255 49.2712 35.1251 111.506 GPRESSURE: 816600 -108.231 -111.955 -22.581 -10.2386 -98.6484 22.0458 -47.993 31.4272 162.277 PRESSAVG: 816600 -77.8059 -5.48551 -11.6774 -5.48549 43.0782 -28.4921 -11.6775 -28.4921 47.6495 GPRESSAVG: 816600 -78.2569 -5.6271 -12.4759 -4.25789 41.7482 -28.2059 -11.2924 -30.0987 48.6287 TIMING: 816600 CPU: 2452.47, 0.00298474/step Wall: 2452.47, 0.00298474/step, 3.46843 hours remaining, 209.125000 MB of memory in use. ENERGY: 816600 736.9437 2025.5368 1917.3031 106.4546 -206353.4746 17623.3641 0.0000 0.0000 34256.7228 -149687.1495 299.1725 -183943.8723 -149585.5091 298.5233 -46.2710 -14.8676 555495.9395 4.3073 4.0400 PRESSURE: 816800 -272.872 -59.1439 -11.9307 -59.1442 -229.3 96.3605 -11.9307 96.3596 13.3095 GPRESSURE: 816800 -243.636 -67.0534 -54.3317 7.19089 -139.526 55.0126 64.0093 156.48 -9.06723 PRESSAVG: 816800 -88.5049 42.7082 -3.22296 42.7082 26.7492 -21.5438 -3.22298 -21.5439 67.6657 GPRESSAVG: 816800 -87.7782 44.8481 -3.06127 43.7643 27.0565 -22.0629 -3.18592 -21.1217 66.8886 TIMING: 816800 CPU: 2453.07, 0.00299223/step Wall: 2453.07, 0.00299223/step, 3.47697 hours remaining, 209.125000 MB of memory in use. ENERGY: 816800 734.7771 2104.2947 1894.1971 111.3884 -206337.6344 17817.6951 0.0000 0.0000 33929.8456 -149745.4364 296.3178 -183675.2820 -149644.7490 298.1099 -162.9543 -130.7428 558796.8051 1.9700 2.0556 PRESSURE: 817000 133.822 92.5336 -119.11 92.5349 -62.9669 148.295 -119.11 148.294 84.0575 GPRESSURE: 817000 80.1454 241.142 -148.279 18.9871 -10.8704 77.9067 -103.057 234.499 175.215 PRESSAVG: 817000 -15.5702 5.99593 -58.1787 5.99581 0.55891 -6.78715 -58.1787 -6.78715 55.3405 GPRESSAVG: 817000 -15.7063 1.92834 -57.7398 4.39744 1.01146 -4.51522 -58.6772 -7.63363 55.216 TIMING: 817000 CPU: 2453.66, 0.00297103/step Wall: 2453.66, 0.00297103/step, 3.45217 hours remaining, 209.125000 MB of memory in use. ENERGY: 817000 722.2941 2110.6279 1882.6022 117.0161 -205904.7605 17661.1137 0.0000 0.0000 33883.2957 -149527.8108 295.9112 -183411.1064 -149432.8202 297.8204 51.6376 81.4967 558419.4553 13.4431 13.5070 PRESSURE: 817200 -347.058 -151.97 20.6864 -151.97 -490.086 -138.304 20.6856 -138.303 -232.125 GPRESSURE: 817200 -320.519 -175.15 -55.0275 -144.012 -441.556 -56.1282 -16.8845 -149.332 -201.964 PRESSAVG: 817200 17.2792 47.9022 -7.38802 47.9021 25.0696 -12.2233 -7.388 -12.2232 -29.4701 GPRESSAVG: 817200 16.3254 49.1809 -8.00086 48.2947 24.711 -13.0719 -6.05593 -11.3065 -28.5994 TIMING: 817200 CPU: 2454.25, 0.00296578/step Wall: 2454.25, 0.00296578/step, 3.4459 hours remaining, 209.125000 MB of memory in use. ENERGY: 817200 764.0847 2051.2979 1922.2681 108.1701 -206099.6604 17354.1983 0.0000 0.0000 34159.0055 -149740.6357 298.3191 -183899.6413 -149644.6451 297.8463 -356.4227 -321.3467 557946.1674 4.2929 4.1457 PRESSURE: 817400 -106.464 -116.468 -80.7867 -116.467 -31.8455 -113.125 -80.7864 -113.125 18.391 GPRESSURE: 817400 -117.396 -135.868 -76.3568 -71.8441 7.22648 -20.5918 -45.4246 -174.416 83.9775 PRESSAVG: 817400 -4.4821 -22.6647 17.3563 -22.6646 3.28183 -17.7128 17.3564 -17.7128 -8.12189 GPRESSAVG: 817400 -3.25899 -23.5935 18.2891 -21.5774 2.50362 -19.5167 15.9033 -17.6885 -8.23073 TIMING: 817400 CPU: 2454.85, 0.00295517/step Wall: 2454.85, 0.00295517/step, 3.43341 hours remaining, 209.125000 MB of memory in use. ENERGY: 817400 771.6032 2098.1888 1902.3648 123.8243 -206654.1133 17893.9456 0.0000 0.0000 34183.7829 -149680.4038 298.5355 -183864.1867 -149585.7004 298.0990 -39.9729 -8.7307 556815.9764 -3.1074 -2.9954 PRESSURE: 817600 -66.8268 -24.1614 -68.2938 -24.1622 39.0395 -5.77294 -68.2943 -5.77415 152.263 GPRESSURE: 817600 -44.5284 -10.7738 -159.52 -21.1211 153.503 4.17408 -40.1113 77.1932 116.518 PRESSAVG: 817600 -1.64965 28.5794 -52.7367 28.5795 16.0638 7.05175 -52.7368 7.05169 -51.4958 GPRESSAVG: 817600 -3.13264 28.6177 -54.579 29.3904 17.0224 5.5624 -47.7587 8.2145 -51.774 TIMING: 817600 CPU: 2455.44, 0.00297872/step Wall: 2455.44, 0.00297872/step, 3.46062 hours remaining, 209.125000 MB of memory in use. ENERGY: 817600 718.9603 2031.8107 1905.3595 112.9740 -206470.1823 17943.2622 0.0000 0.0000 34024.1951 -149733.6204 297.1418 -183757.8156 -149632.8762 298.3009 41.4918 75.1645 556345.4991 -12.3605 -12.6281 PRESSURE: 817800 167.357 -46.7036 -155.663 -46.7033 48.2618 -46.9473 -155.663 -46.9467 -156.313 GPRESSURE: 817800 217.844 -28.6211 -111.811 -10.7278 42.7131 -53.8402 -105.752 -127.653 -123.755 PRESSAVG: 817800 -30.5145 7.83782 6.72391 7.83801 -39.3498 36.3335 6.72399 36.3333 87.1859 GPRESSAVG: 817800 -28.0917 10.0769 9.55354 8.28903 -42.0399 36.7821 1.89617 35.4245 87.7705 TIMING: 817800 CPU: 2456.03, 0.00296554/step Wall: 2456.03, 0.00296554/step, 3.44513 hours remaining, 209.125000 MB of memory in use. ENERGY: 817800 754.6384 2046.4755 1918.5791 108.6844 -206604.9479 17952.0027 0.0000 0.0000 34255.6364 -149568.9315 299.1630 -183824.5679 -149469.9732 298.3228 19.7685 45.6005 557108.1437 5.7739 5.8796 PRESSURE: 818000 -133.286 17.5445 70.3605 17.5447 -256.19 28.4131 70.3597 28.4132 -215.067 GPRESSURE: 818000 -102.083 26.9309 36.2887 121.691 -250.912 41.247 44.4328 -9.5761 -141.802 PRESSAVG: 818000 86.7111 7.72997 50.2901 7.72994 -8.95812 -37.6949 50.2901 -37.6949 -21.9756 GPRESSAVG: 818000 85.5111 6.74879 47.4616 5.95416 -7.76275 -37.8288 51.9822 -37.4514 -22.4111 TIMING: 818000 CPU: 2456.63, 0.00296963/step Wall: 2456.63, 0.00296963/step, 3.44972 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: 818000 745.6892 2120.4468 1928.7985 104.6421 -206072.0113 17459.7422 0.0000 0.0000 34207.8119 -149504.8805 298.7453 -183712.6924 -149410.9607 298.7980 -201.5146 -164.9323 558896.7662 18.5925 18.4458 PRESSURE: 818200 169.933 152.222 -103.346 152.224 -30.1903 11.1902 -103.347 11.1905 65.3246 GPRESSURE: 818200 227.569 112.343 -96.6696 110.815 -21.1395 -24.4969 -99.5092 -28.0709 90.7427 PRESSAVG: 818200 22.0228 12.928 -3.76024 12.9279 -6.92232 -59.1443 -3.7602 -59.1442 -25.041 GPRESSAVG: 818200 22.143 12.216 -2.19687 13.3012 -6.9551 -57.5132 -2.88573 -60.474 -24.7957 TIMING: 818200 CPU: 2457.22, 0.00297067/step Wall: 2457.22, 0.00297067/step, 3.45076 hours remaining, 209.183594 MB of memory in use. ENERGY: 818200 764.9637 2105.6346 1923.2511 115.8343 -206434.5978 17929.8910 0.0000 0.0000 34011.7326 -149583.2905 297.0329 -183595.0231 -149483.4011 297.7461 68.3556 99.0573 555728.9512 -3.3135 -3.2026 PRESSURE: 818400 -204.467 -54.1151 4.2659 -54.1145 -156.334 -140.469 4.26741 -140.469 -174.27 GPRESSURE: 818400 -125.392 -40.6862 -2.73412 -34.2489 -122.952 -92.5393 64.7907 -168.548 -188.217 PRESSAVG: 818400 17.0301 -14.8675 -8.36565 -14.8675 -36.6244 4.62605 -8.36567 4.62611 20.7832 GPRESSAVG: 818400 16.3482 -12.5544 -9.10834 -15.492 -36.9284 4.47811 -9.48205 5.23044 21.2031 TIMING: 818400 CPU: 2457.82, 0.00299182/step Wall: 2457.82, 0.00299182/step, 3.47517 hours remaining, 209.183594 MB of memory in use. ENERGY: 818400 771.2388 2055.4549 1914.6430 115.7330 -206077.4986 17617.8684 0.0000 0.0000 34083.1820 -149519.3785 297.6569 -183602.5605 -149423.9017 297.9247 -178.3570 -145.5207 556736.1857 0.3963 0.2076 PRESSURE: 818600 -50.5654 -40.1799 28.4352 -40.1804 -65.1962 -66.3 28.4352 -66.3022 79.9615 GPRESSURE: 818600 -4.89148 -34.7364 81.5241 35.2421 -68.1792 -31.2411 79.3119 -98.1149 138.889 PRESSAVG: 818600 -14.1785 -9.30156 -18.4051 -9.30159 8.85302 25.1992 -18.405 25.1991 27.8481 GPRESSAVG: 818600 -13.3876 -8.63866 -15.6425 -10.5279 8.97983 24.6554 -19.9369 23.0724 27.5515 TIMING: 818600 CPU: 2458.42, 0.00299092/step Wall: 2458.42, 0.00299092/step, 3.47396 hours remaining, 209.183594 MB of memory in use. ENERGY: 818600 734.7162 2061.0150 1933.9217 115.7705 -206467.1782 17786.2772 0.0000 0.0000 34073.5680 -149761.9096 297.5729 -183835.4776 -149660.5792 298.0352 -11.9334 21.9394 557921.7367 7.5075 7.7146 PRESSURE: 818800 132.4 185.583 -24.6146 185.583 33.1857 -90.4641 -24.6156 -90.4634 23.7714 GPRESSURE: 818800 152.866 154.769 -4.14112 192.465 118.098 -68.9178 44.8221 -54.351 26.2674 PRESSAVG: 818800 4.76259 27.164 -60.2767 27.1639 -14.0811 -91.0737 -60.2767 -91.0736 0.0718014 GPRESSAVG: 818800 4.92352 24.2661 -62.989 29.6275 -13.7769 -92.1858 -58.4005 -88.9102 -0.197182 TIMING: 818800 CPU: 2459.02, 0.00298195/step Wall: 2459.02, 0.00298195/step, 3.46337 hours remaining, 209.183594 MB of memory in use. ENERGY: 818800 773.2661 2045.2166 1945.1653 124.9083 -206754.3212 18041.2389 0.0000 0.0000 34056.4491 -149768.0770 297.4234 -183824.5261 -149668.5914 298.0299 63.1190 99.0772 558625.2065 -3.0822 -3.0169 PRESSURE: 819000 28.1915 -9.48203 6.5943 -9.48208 126.29 46.974 6.59428 46.9739 5.98723 GPRESSURE: 819000 44.2842 67.3755 -67.0278 -161.908 166.768 -12.6826 0.504284 40.3261 27.332 PRESSAVG: 819000 -18.6131 3.33659 -61.0721 3.33657 43.5671 1.77919 -61.072 1.77929 2.0022 GPRESSAVG: 819000 -19.4552 7.4732 -60.2257 0.119768 44.3692 2.75115 -62.2975 1.51019 1.87869 TIMING: 819000 CPU: 2459.61, 0.00296869/step Wall: 2459.61, 0.00296869/step, 3.4478 hours remaining, 209.183594 MB of memory in use. ENERGY: 819000 733.7497 2115.3922 1929.6533 110.5199 -206679.7257 17972.5932 0.0000 0.0000 34121.3677 -149696.4497 297.9904 -183817.8174 -149598.0925 297.2009 53.4897 79.4616 558184.2845 8.9854 8.9309 PRESSURE: 819200 -54.2428 -59.0652 107.478 -59.0662 -92.0208 23.7501 107.478 23.7503 -177.044 GPRESSURE: 819200 -39.4867 -155.174 139.871 -82.8447 -19.8895 115.648 135.878 -71.6032 -161.454 PRESSAVG: 819200 -6.81187 -6.54816 -39.9244 -6.54815 55.8759 -29.818 -39.9243 -29.818 -50.7378 GPRESSAVG: 819200 -6.22201 -8.3083 -40.3544 -4.36847 55.4857 -29.8959 -39.6875 -29.8414 -50.7416 TIMING: 819200 CPU: 2460.21, 0.00299366/step Wall: 2460.21, 0.00299366/step, 3.47663 hours remaining, 209.183594 MB of memory in use. ENERGY: 819200 743.1574 2122.0704 1905.5843 123.5987 -206489.1643 17922.5866 0.0000 0.0000 33911.3360 -149760.8310 296.1561 -183672.1669 -149658.3348 297.4703 -107.7691 -73.6101 558868.6617 -0.5579 -0.4926 PRESSURE: 819400 -70.5952 6.46745 -54.3875 6.46744 78.6055 2.96762 -54.3877 2.96822 139.798 GPRESSURE: 819400 3.1227 16.6947 -31.1756 7.06331 96.7563 66.6562 -55.7421 -28.9264 159.972 PRESSAVG: 819400 36.2563 -26.0472 -37.5118 -26.0471 -11.2975 -18.4186 -37.5118 -18.4186 -27.8748 GPRESSAVG: 819400 35.3735 -26.9862 -35.8527 -26.5815 -11.4351 -17.6421 -36.6341 -18.9052 -26.9744 TIMING: 819400 CPU: 2460.81, 0.0030089/step Wall: 2460.81, 0.0030089/step, 3.49416 hours remaining, 209.183594 MB of memory in use. ENERGY: 819400 728.6123 2118.5390 1919.7101 113.9202 -207001.0899 18069.8187 0.0000 0.0000 34363.1471 -149687.3426 300.1019 -184050.4897 -149594.0318 297.8277 49.2695 86.6169 556561.7021 -0.9720 -1.0120 PRESSURE: 819600 -195.99 28.7767 -12.9838 28.777 -380.907 31.384 -12.9838 31.3838 49.9064 GPRESSURE: 819600 -162.418 46.6772 -15.7227 -5.89752 -362.551 5.68685 -70.6265 45.0415 91.408 PRESSAVG: 819600 5.38299 -33.4613 -8.2892 -33.4613 10.9628 -57.0419 -8.28928 -57.0417 -13.5298 GPRESSAVG: 819600 6.76644 -35.6782 -9.28691 -31.6255 10.248 -57.4019 -8.76822 -54.8031 -14.6002 TIMING: 819600 CPU: 2461.41, 0.00301277/step Wall: 2461.41, 0.00301277/step, 3.4985 hours remaining, 209.183594 MB of memory in use. ENERGY: 819600 700.1597 2096.7595 1917.4845 109.3831 -206268.2257 17503.9275 0.0000 0.0000 34346.2388 -149594.2725 299.9542 -183940.5113 -149496.6093 298.3393 -175.6636 -144.5203 556886.5063 0.9387 0.8048 PRESSURE: 819800 -138.989 16.3279 -130.515 16.3283 302.911 -9.58411 -130.514 -9.58278 -110.532 GPRESSURE: 819800 -102.529 51.1692 -54.2364 45.4002 340.386 7.28489 -121.82 -25.1015 -93.3898 PRESSAVG: 819800 15.5 -46.3233 -27.3537 -46.3233 -12.5764 -18.8373 -27.3537 -18.8373 -35.155 GPRESSAVG: 819800 16.2883 -43.5804 -26.7596 -48.119 -12.7763 -17.1325 -28.0989 -19.8684 -35.5997 TIMING: 819800 CPU: 2462.02, 0.00301498/step Wall: 2462.02, 0.00301498/step, 3.50089 hours remaining, 209.183594 MB of memory in use. ENERGY: 819800 787.7741 2099.2069 1917.2259 113.6042 -206378.6658 17799.1697 0.0000 0.0000 34095.0573 -149566.6276 297.7606 -183661.6850 -149470.9989 298.7016 17.7968 48.1556 556673.9608 -10.7438 -10.6959 PRESSURE: 820000 44.2083 38.0231 89.214 38.0234 93.937 133.873 89.2135 133.873 -49.1839 GPRESSURE: 820000 76.1687 -3.93287 76.6132 143.272 156.342 130.849 66.114 142.002 -43.9954 PRESSAVG: 820000 29.1074 14.3596 -32.3123 14.3596 45.5771 -26.1697 -32.3123 -26.1697 -51.2733 GPRESSAVG: 820000 27.9705 13.8014 -31.9968 15.0551 46.1833 -27.8556 -32.24 -26.7435 -50.7778 TIMING: 820000 CPU: 2462.61, 0.00299068/step Wall: 2462.61, 0.00299068/step, 3.47251 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: 820000 725.9781 2090.0624 1904.5995 110.7953 -206180.3582 17767.9839 0.0000 0.0000 34307.6777 -149273.2614 299.6175 -183580.9391 -149178.3437 298.8744 29.6538 62.8385 555733.8377 7.8037 7.7920 PRESSURE: 820200 74.4245 -72.182 271.528 -72.18 248.109 51.6971 271.528 51.6959 8.59078 GPRESSURE: 820200 121.192 -63.8651 236.106 -140.348 236.264 -48.4454 237.672 61.85 59.8547 PRESSAVG: 820200 55.9464 -25.3395 49.7607 -25.3395 29.3641 20.8215 49.7607 20.8214 -41.5773 GPRESSAVG: 820200 55.5162 -24.5056 48.0939 -25.4847 28.4157 21.9734 50.0889 19.9854 -40.6491 TIMING: 820200 CPU: 2463.21, 0.00300312/step Wall: 2463.21, 0.00300312/step, 3.48679 hours remaining, 209.183594 MB of memory in use. ENERGY: 820200 759.4844 2088.1804 1904.3532 101.8610 -206108.7418 17886.6970 0.0000 0.0000 34079.0712 -149289.0946 297.6210 -183368.1658 -149193.3679 299.3374 110.3749 139.1038 555862.9941 14.5777 14.4276 LDB: ============= START OF LOAD BALANCING ============== 2466.73 LDB: ============== END OF LOAD BALANCING =============== 2466.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2466.73 LDB: ============= START OF LOAD BALANCING ============== 2467.03 LDB: Largest compute 4800 load 0.027102 is 23.0% of average load 0.117867 LDB: Average compute 0.001736 is 1.5% of average load 0.117867 LDB: TIME 2467.04 LOAD: AVG 0.117867 MAX 0.207536 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.98 MB LDB: TIME 2467.04 LOAD: AVG 0.117867 MAX 0.207536 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.18 MB LDB: TIME 2467.04 LOAD: AVG 0.117867 MAX 0.207536 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.18 MB LDB: ============== END OF LOAD BALANCING =============== 2467.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2467.04 PRESSURE: 820400 265.78 64.3029 -141.282 64.3028 197.955 -8.10485 -141.281 -8.10406 93.4932 GPRESSURE: 820400 351.442 46.4265 -127.097 70.987 229.224 40.4186 -135.103 -4.0827 88.2068 PRESSAVG: 820400 37.895 -33.1196 -40.6338 -33.1197 18.5699 17.1739 -40.6338 17.1739 -30.1299 GPRESSAVG: 820400 37.8962 -32.3985 -39.9794 -34.477 19.0799 17.6583 -39.8267 18.4198 -31.0234 TIMING: 820400 CPU: 2463.83, 0.00306595/step Wall: 2463.83, 0.00306595/step, 3.55957 hours remaining, 207.195312 MB of memory in use. ENERGY: 820400 721.2459 2075.0279 1921.6752 111.1979 -206605.7153 18054.4627 0.0000 0.0000 34318.1199 -149403.9859 299.7087 -183722.1057 -149298.0364 298.4551 185.7425 222.9578 556215.0748 8.7783 8.6509 PRESSURE: 820600 -258.823 22.2929 -47.2235 22.2929 -40.4421 10.1167 -47.2233 10.1187 8.96378 GPRESSURE: 820600 -206.074 76.1526 -87.5262 -17.7839 -8.24219 103.615 -9.7192 -40.0315 33.1404 PRESSAVG: 820600 -7.32854 -9.58623 -67.4725 -9.58629 67.0054 -45.7271 -67.4725 -45.7271 -56.7629 GPRESSAVG: 820600 -6.05774 -10.1022 -67.8354 -8.82437 65.8309 -47.8707 -68.1978 -44.5532 -56.5303 TIMING: 820600 CPU: 2464.43, 0.00303573/step Wall: 2464.43, 0.00303573/step, 3.52432 hours remaining, 207.195312 MB of memory in use. ENERGY: 820600 737.3310 2118.3442 1929.2121 114.6509 -206363.6755 17762.1304 0.0000 0.0000 34219.2709 -149482.7359 298.8454 -183702.0068 -149383.8795 298.4972 -96.7672 -60.3919 557876.9654 0.9713 1.0809 PRESSURE: 820800 55.6025 -29.4578 122.919 -29.4561 169.964 -28.7924 122.919 -28.7929 107.1 GPRESSURE: 820800 81.6358 -32.524 142.479 -118.477 198.77 -85.1702 126.733 12.226 145.079 PRESSAVG: 820800 6.13262 -31.7438 -15.5916 -31.7438 12.2385 32.6328 -15.5916 32.6329 -38.9869 GPRESSAVG: 820800 6.01298 -30.2515 -13.9535 -32.2244 13.7817 33.9992 -17.3408 31.926 -40.1715 TIMING: 820800 CPU: 2465.03, 0.00299667/step Wall: 2465.03, 0.00299668/step, 3.47881 hours remaining, 207.195312 MB of memory in use. ENERGY: 820800 752.5914 2054.0152 1918.9419 111.6918 -206649.0122 18091.2048 0.0000 0.0000 34089.6624 -149630.9046 297.7135 -183720.5670 -149539.0984 298.5465 110.8888 141.8283 557957.2470 -6.8719 -6.7923 PRESSURE: 821000 77.1434 123.247 103.768 123.245 43.7938 133.104 103.767 133.105 -81.4047 GPRESSURE: 821000 120.696 83.5453 62.5845 78.454 108.972 214.163 152.174 57.3707 -113.305 PRESSAVG: 821000 -20.3076 -6.5357 -27.4113 -6.53557 104.762 -37.2387 -27.4113 -37.2387 -69.2812 GPRESSAVG: 821000 -20.8701 -6.81871 -26.7139 -6.48578 104.565 -38.835 -26.9633 -37.9854 -69.3999 TIMING: 821000 CPU: 2465.63, 0.00298157/step Wall: 2465.63, 0.00298157/step, 3.4611 hours remaining, 207.195312 MB of memory in use. ENERGY: 821000 723.2419 2058.6160 1921.1387 113.2139 -206607.1823 17940.0380 0.0000 0.0000 34159.8427 -149691.0911 298.3264 -183850.9338 -149598.7570 298.7143 13.1775 38.7875 558516.7674 5.0577 4.7649 PRESSURE: 821200 -93.3157 -32.5551 22.741 -32.5561 -17.6039 -96.204 22.7411 -96.2042 20.109 GPRESSURE: 821200 -50.7887 -10.3181 20.9953 -89.6056 -26.1293 -24.8534 13.4947 -67.9379 70.8658 PRESSAVG: 821200 9.75653 27.7027 28.9221 27.7028 27.8373 -2.7783 28.922 -2.77833 -58.1999 GPRESSAVG: 821200 10.1921 25.946 28.2353 26.5998 27.4266 -2.07371 28.9246 -1.55473 -57.9071 TIMING: 821200 CPU: 2466.23, 0.00298256/step Wall: 2466.23, 0.00298256/step, 3.46208 hours remaining, 207.195312 MB of memory in use. ENERGY: 821200 733.1880 2065.2475 1929.9966 115.4055 -206581.3160 17925.9308 0.0000 0.0000 34126.5751 -149684.9725 298.0359 -183811.5476 -149589.7827 298.1284 -30.2702 -2.0174 556758.0031 -6.8687 -6.7628 PRESSURE: 821400 55.8844 45.4823 58.3583 45.4828 219.323 -1.31636 58.3575 -1.31577 -77.459 GPRESSURE: 821400 79.6349 25.323 -141.909 70.2177 228.432 -46.9022 181.948 30.9103 -16.8008 PRESSAVG: 821400 -12.6477 -4.48218 3.90269 -4.48226 5.9343 -15.1813 3.90274 -15.1813 2.53415 GPRESSAVG: 821400 -12.8602 -5.21903 3.1524 -2.72237 5.64265 -14.6489 4.38851 -16.0201 3.3033 TIMING: 821400 CPU: 2466.82, 0.00297522/step Wall: 2466.82, 0.00297522/step, 3.4534 hours remaining, 207.195312 MB of memory in use. ENERGY: 821400 738.3825 2050.1766 1919.9206 115.7199 -206707.7068 18052.0393 0.0000 0.0000 34109.3075 -149722.1604 297.8851 -183831.4679 -149621.6815 298.1241 65.9163 97.0889 556527.2992 -1.3931 -1.3048 PRESSURE: 821600 201.222 -207.51 -85.2082 -207.51 8.80676 37.7121 -85.2089 37.7139 214.322 GPRESSURE: 821600 287.037 -82.3614 -75.9816 -257.502 37.1135 24.914 -11.2946 38.9377 211.339 PRESSAVG: 821600 37.5412 -51.0991 23.987 -51.0991 32.2589 -49.3606 23.987 -49.3605 -24.4227 GPRESSAVG: 821600 37.5121 -47.6814 24.7578 -53.5132 31.9322 -48.5872 23.6538 -49.0372 -24.4737 TIMING: 821600 CPU: 2467.42, 0.00300299/step Wall: 2467.42, 0.00300299/step, 3.48547 hours remaining, 207.195312 MB of memory in use. ENERGY: 821600 707.5903 2120.8575 1928.5166 126.3630 -206784.0758 18228.5753 0.0000 0.0000 34022.7351 -149649.4381 297.1290 -183672.1732 -149552.7590 297.5880 141.4502 178.4964 557531.6588 15.1258 14.9902 PRESSURE: 821800 -163.405 -108.379 -308.867 -108.379 69.6192 -39.6794 -308.868 -39.6795 105.49 GPRESSURE: 821800 -158.887 -76.8682 -272.823 -54.8264 149.939 -33.6131 -331.645 -16.1565 122.22 PRESSAVG: 821800 14.5831 -20.6548 -74.9073 -20.6549 -41.6833 -51.7638 -74.9073 -51.7638 28.1829 GPRESSAVG: 821800 14.2249 -22.1742 -73.5243 -19.1118 -41.2083 -50.5298 -75.5137 -51.8429 27.7746 TIMING: 821800 CPU: 2468.02, 0.00298112/step Wall: 2468.02, 0.00298112/step, 3.45992 hours remaining, 207.195312 MB of memory in use. ENERGY: 821800 750.6490 2072.1183 1909.7122 111.4724 -206227.4744 17893.6410 0.0000 0.0000 33809.2970 -149680.5844 295.2650 -183489.8814 -149587.6196 298.0213 3.9013 37.7572 558228.0850 0.3609 0.2637 PRESSURE: 822000 14.2458 118.621 65.8162 118.621 113.023 92.4057 65.8158 92.4067 31.618 GPRESSURE: 822000 57.6252 64.5984 101.54 210.367 113.324 90.2408 79.2409 59.8128 100.237 PRESSAVG: 822000 -17.2849 18.8995 19.32 18.8996 11.3285 16.6492 19.32 16.6492 18.6814 GPRESSAVG: 822000 -16.5776 18.588 16.4263 22.1948 10.6024 15.9305 22.3559 15.5079 19.4354 TIMING: 822000 CPU: 2468.62, 0.00299796/step Wall: 2468.62, 0.00299796/step, 3.47929 hours remaining, 207.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 822000 743.0832 2113.8141 1920.7441 108.8628 -206843.3110 18029.0102 0.0000 0.0000 34289.4077 -149638.3889 299.4579 -183927.7966 -149540.8590 297.3040 52.9621 90.3953 557381.6331 4.2417 4.4867 PRESSURE: 822200 -146.93 42.2117 115.967 42.2112 -68.0945 -121.536 115.967 -121.537 -92.216 GPRESSURE: 822200 -108.222 -9.2191 134.611 21.0686 -53.46 -56.7011 82.3194 -232.382 -42.1222 PRESSAVG: 822200 -28.0879 29.2473 9.12324 29.2473 59.455 -1.13109 9.1232 -1.13124 -20.8111 GPRESSAVG: 822200 -29.6361 29.7492 12.9887 25.095 61.0304 -1.7988 7.40079 -0.24672 -20.239 TIMING: 822200 CPU: 2469.22, 0.00299891/step Wall: 2469.22, 0.00299891/step, 3.48024 hours remaining, 207.195312 MB of memory in use. ENERGY: 822200 744.7478 2032.3219 1947.0961 114.1053 -205946.0773 17558.3579 0.0000 0.0000 33952.4867 -149596.9615 296.5155 -183549.4482 -149502.5599 297.8048 -102.4135 -67.9346 557927.1021 3.5187 3.7184 PRESSURE: 822400 -117.622 27.4165 29.4899 27.4155 -334.929 191.694 29.4893 191.696 -274.396 GPRESSURE: 822400 -119.081 58.4448 40.5319 26.4041 -304.265 141.971 -4.72998 205.121 -202.023 PRESSAVG: 822400 -11.955 -17.8589 9.89758 -17.8589 -7.33349 7.08379 9.89755 7.08382 -26.4333 GPRESSAVG: 822400 -9.73198 -17.0943 6.67795 -18.104 -7.72532 5.70602 10.1079 6.969 -28.0354 TIMING: 822400 CPU: 2469.82, 0.00299383/step Wall: 2469.82, 0.00299383/step, 3.47418 hours remaining, 207.195312 MB of memory in use. ENERGY: 822400 764.7098 2050.6128 1918.5333 122.0792 -205870.4642 17450.9767 0.0000 0.0000 34070.0410 -149493.5113 297.5421 -183563.5523 -149399.0131 298.1260 -242.3157 -208.4566 559145.4498 -15.2406 -15.1642 PRESSURE: 822600 -308.682 -27.5033 6.35224 -27.5035 -111.759 -23.976 6.35359 -23.9758 -31.1083 GPRESSURE: 822600 -286.037 -30.1391 47.0841 54.0226 -73.8345 39.0316 1.12575 -44.1266 3.04723 PRESSAVG: 822600 15.1165 14.529 21.9985 14.529 -10.674 10.7185 21.9985 10.7184 -9.28689 GPRESSAVG: 822600 15.4152 15.2617 24.9858 15.1305 -10.4848 12.8886 20.3732 11.9848 -9.90072 TIMING: 822600 CPU: 2470.41, 0.002987/step Wall: 2470.41, 0.002987/step, 3.46608 hours remaining, 207.195312 MB of memory in use. ENERGY: 822600 704.1487 2106.0571 1925.8180 117.6962 -206425.7716 17553.2846 0.0000 0.0000 34524.3471 -149494.4199 301.5097 -184018.7669 -149393.9396 298.5871 -150.5163 -118.9415 556514.8994 -1.6148 -1.6568 PRESSURE: 822800 139.158 40.8024 -33.1525 40.8029 212.745 238.528 -33.1516 238.528 -130.086 GPRESSURE: 822800 189.361 -44.3092 -2.64658 17.6139 215.993 152.968 -6.51163 205.335 -86.8273 PRESSAVG: 822800 -35.9429 -34.4851 36.2786 -34.4852 65.575 10.6421 36.2787 10.6421 -30.7203 GPRESSAVG: 822800 -36.0408 -35.3277 32.4551 -34.0262 63.9574 9.50221 35.7745 10.6412 -29.089 TIMING: 822800 CPU: 2471.01, 0.00298598/step Wall: 2471.01, 0.00298598/step, 3.46473 hours remaining, 207.195312 MB of memory in use. ENERGY: 822800 747.8908 2104.9651 1890.6468 105.3988 -206257.4420 17859.0057 0.0000 0.0000 34154.8202 -149394.7147 298.2825 -183549.5349 -149299.5841 298.7391 73.9390 106.1755 556723.7169 -0.3627 -0.3908 PRESSURE: 823000 -361.385 -42.6755 195.575 -42.6761 -121.192 61.4136 195.574 61.4139 -143.02 GPRESSURE: 823000 -302.36 -74.9639 223.598 -18.4847 -98.6327 72.6909 159.982 11.8809 -117.531 PRESSAVG: 823000 -13.1016 17.046 -5.96786 17.0459 2.15666 -9.04536 -5.96796 -9.04549 45.3403 GPRESSAVG: 823000 -13.9094 17.157 -4.45047 19.184 3.25029 -6.50132 -2.15492 -10.4601 44.5085 TIMING: 823000 CPU: 2471.61, 0.00298989/step Wall: 2471.61, 0.00298989/step, 3.4691 hours remaining, 207.195312 MB of memory in use. ENERGY: 823000 765.9977 2034.0088 1899.7545 94.3636 -206006.7736 17606.6315 0.0000 0.0000 34075.4324 -149530.5851 297.5892 -183606.0175 -149435.1390 298.3906 -208.5323 -172.8412 557584.4414 11.4652 11.2831 PRESSURE: 823200 4.01756 -45.4325 83.6568 -45.4344 -17.2913 10.8686 83.6579 10.8688 -119.175 GPRESSURE: 823200 25.4204 41.7228 131.594 -143.427 58.224 37.5003 138.412 -0.675253 -115.415 PRESSAVG: 823200 -59.3881 52.0598 26.0787 52.0598 27.5661 35.3715 26.0786 35.3716 -9.28064 GPRESSAVG: 823200 -59.3392 52.7845 25.9088 50.2096 27.4102 35.6302 25.3204 36.1589 -8.84818 TIMING: 823200 CPU: 2472.21, 0.00302868/step Wall: 2472.21, 0.00302868/step, 3.51394 hours remaining, 207.195312 MB of memory in use. ENERGY: 823200 743.8913 2069.3679 1903.4098 122.6969 -206191.6935 17758.9068 0.0000 0.0000 33978.2457 -149615.1751 296.7405 -183593.4208 -149523.6622 297.6834 -44.1496 -10.5904 557389.1785 -13.7009 -13.5924 PRESSURE: 823400 97.6957 -65.136 11.7301 -65.1355 182.117 -109.941 11.73 -109.942 -97.2388 GPRESSURE: 823400 152.218 -33.5609 13.1546 -25.694 169.764 -94.1227 -48.732 -116.22 -46.3746 PRESSAVG: 823400 -29.0331 -7.87715 25.2225 -7.87709 47.836 7.7605 25.2225 7.76038 -10.9519 GPRESSAVG: 823400 -29.1056 -10.6212 26.0979 -7.13705 48.1482 5.3657 23.9063 9.05677 -10.6505 TIMING: 823400 CPU: 2472.82, 0.00302263/step Wall: 2472.82, 0.00302263/step, 3.50675 hours remaining, 207.195312 MB of memory in use. ENERGY: 823400 755.3518 2051.2474 1920.7183 109.9990 -206544.4078 18015.7374 0.0000 0.0000 34239.3086 -149452.0455 299.0204 -183691.3540 -149360.8052 298.3543 60.8580 91.8692 557809.4926 2.6170 2.7974 PRESSURE: 823600 -68.875 -119.709 54.1358 -119.708 -291.017 -55.366 54.1354 -55.3662 40.8681 GPRESSURE: 823600 -52.3117 -166.259 66.4683 -86.8363 -285.036 -55.0441 25.6161 -117.06 123.233 PRESSAVG: 823600 -28.9198 21.1003 -26.7887 21.1003 66.0284 -18.9092 -26.7887 -18.9091 -11.3221 GPRESSAVG: 823600 -29.543 22.0779 -25.7343 20.1061 66.6887 -17.7666 -26.9778 -21.0193 -12.0442 TIMING: 823600 CPU: 2473.42, 0.00299468/step Wall: 2473.42, 0.00299468/step, 3.47416 hours remaining, 207.195312 MB of memory in use. ENERGY: 823600 704.6393 2086.7805 1928.6019 129.0141 -206193.6594 17803.9913 0.0000 0.0000 34134.5122 -149406.1200 298.1052 -183540.6322 -149308.8981 298.9040 -106.3412 -71.3714 558001.5368 8.5955 8.3672 PRESSURE: 823800 10.6673 124.419 66.629 124.419 -164.757 62.9552 66.6294 62.9549 -151.501 GPRESSURE: 823800 57.6101 124.726 39.1552 169.024 -150.164 44.1039 -10.2515 54.222 -116.482 PRESSAVG: 823800 -3.74911 54.7135 -18.494 54.7135 -38.6587 -3.89113 -18.4939 -3.89124 72.3809 GPRESSAVG: 823800 -4.44457 52.9664 -18.6815 56.769 -39.1294 -4.81873 -19.2173 -4.30776 73.125 TIMING: 823800 CPU: 2474.02, 0.00299369/step Wall: 2474.02, 0.00299369/step, 3.47285 hours remaining, 207.195312 MB of memory in use. ENERGY: 823800 776.8088 2016.0382 1912.5880 109.7416 -206215.3955 17851.8564 0.0000 0.0000 34118.7014 -149429.6611 297.9671 -183548.3625 -149330.8090 298.8803 -101.8638 -69.6784 558464.1634 9.9910 9.8503 PRESSURE: 824000 -222.826 -63.2569 -17.4004 -63.2577 39.3955 214.262 -17.402 214.263 87.891 GPRESSURE: 824000 -122.193 -89.462 -52.1334 -92.0226 13.3521 159.513 10.8606 190.473 104.896 PRESSAVG: 824000 17.3373 0.562379 7.53936 0.562465 -42.5914 31.5235 7.53921 31.5236 10.2276 GPRESSAVG: 824000 18.5902 3.0703 4.3997 -2.06138 -43.3023 30.2103 10.1416 33.3549 9.29928 TIMING: 824000 CPU: 2474.61, 0.00298985/step Wall: 2474.61, 0.00298985/step, 3.46822 hours remaining, 207.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 824000 709.6282 2127.3841 1924.4994 109.0764 -206337.8774 17726.0042 0.0000 0.0000 34325.2485 -149416.0367 299.7709 -183741.2851 -149320.5195 298.9896 -31.8464 -1.3151 557266.1366 -5.0089 -5.1376 PRESSURE: 824200 98.0259 -18.9481 -29.7162 -18.9486 -63.981 -3.72787 -29.7152 -3.72641 -270.295 GPRESSURE: 824200 120.382 2.41962 46.7496 72.0556 -43.1374 -15.3204 -89.8521 30.6011 -213.807 PRESSAVG: 824200 11.4934 -18.818 -7.91083 -18.8181 -7.26451 -3.67183 -7.91084 -3.67185 2.67755 GPRESSAVG: 824200 11.5816 -20.0468 -3.96632 -15.0719 -6.90992 -3.27331 -10.0983 -2.21171 2.87024 TIMING: 824200 CPU: 2475.21, 0.00297037/step Wall: 2475.21, 0.00297037/step, 3.44547 hours remaining, 207.195312 MB of memory in use. ENERGY: 824200 731.5374 2089.2361 1910.8839 121.1504 -206408.3030 17760.7647 0.0000 0.0000 34227.0366 -149567.6940 298.9132 -183794.7306 -149478.3322 298.6276 -78.7500 -45.5207 557167.6798 2.3021 2.5140 LDB: ============= START OF LOAD BALANCING ============== 2478.72 LDB: ============== END OF LOAD BALANCING =============== 2478.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2478.72 LDB: ============= START OF LOAD BALANCING ============== 2479.02 LDB: Largest compute 4794 load 0.027888 is 23.7% of average load 0.117921 LDB: Average compute 0.001732 is 1.5% of average load 0.117921 LDB: TIME 2479.02 LOAD: AVG 0.117921 MAX 0.205691 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.023 MB LDB: TIME 2479.02 LOAD: AVG 0.117921 MAX 0.205691 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.227 MB LDB: TIME 2479.02 LOAD: AVG 0.117921 MAX 0.205691 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.227 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2479.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2479.03 PRESSURE: 824400 10.6088 77.1512 -24.4195 77.1511 107.576 42.395 -24.42 42.3933 34.4785 GPRESSURE: 824400 33.1557 -7.07961 -97.2129 117.979 150.039 65.6024 88.3778 -45.8704 66.169 PRESSAVG: 824400 5.86064 26.2566 24.0452 26.2565 53.6585 -4.91 24.0451 -4.91006 -53.6751 GPRESSAVG: 824400 5.50524 26.047 24.0028 23.7973 53.6219 -4.43161 23.2266 -5.55742 -53.4926 TIMING: 824400 CPU: 2475.81, 0.00302698/step Wall: 2475.81, 0.00302698/step, 3.51097 hours remaining, 208.074219 MB of memory in use. ENERGY: 824400 718.5242 2034.3437 1901.2808 119.1222 -206267.2357 17890.7685 0.0000 0.0000 34131.2642 -149471.9321 298.0768 -183603.1963 -149379.6840 297.9320 50.8879 83.1212 557960.8208 1.9480 1.8782 PRESSURE: 824600 425.811 95.945 76.4027 95.9444 153.856 -91.6435 76.4032 -91.6448 48.7105 GPRESSURE: 824600 439.032 19.5287 33.928 99.7643 164.754 -77.162 28.1877 -166.418 110.47 PRESSAVG: 824600 17.6411 14.5369 13.7839 14.5368 -7.33471 22.1845 13.7839 22.1844 -29.4372 GPRESSAVG: 824600 18.0456 17.4154 14.1517 12.5669 -7.643 24.0487 12.2215 20.7937 -29.8972 TIMING: 824600 CPU: 2476.41, 0.00296938/step Wall: 2476.41, 0.00296938/step, 3.44398 hours remaining, 208.074219 MB of memory in use. ENERGY: 824600 734.1988 2072.4576 1903.0526 116.8239 -206691.9790 18200.1511 0.0000 0.0000 34235.0530 -149430.2421 298.9832 -183665.2951 -149336.5166 298.7589 209.4592 238.0854 556635.7712 -6.3769 -6.4982 PRESSURE: 824800 -348.107 -133.442 148.175 -133.443 -70.8951 151.674 148.174 151.675 -145.938 GPRESSURE: 824800 -354.791 -273.421 164.998 -30.3117 -14.4656 157.683 94.436 55.8011 -102.126 PRESSAVG: 824800 4.21099 -50.3998 3.6338 -50.3998 -36.4318 56.414 3.63379 56.414 31.2427 GPRESSAVG: 824800 4.29896 -52.4521 0.0491791 -47.3471 -35.8123 55.2689 3.68351 56.0931 30.5609 TIMING: 824800 CPU: 2477, 0.00296913/step Wall: 2477, 0.00296913/step, 3.44353 hours remaining, 208.074219 MB of memory in use. ENERGY: 824800 749.1242 2076.8898 1927.0082 118.9715 -205941.1867 17457.9159 0.0000 0.0000 34308.4626 -149302.8146 299.6243 -183611.2771 -149203.4520 298.4023 -188.3135 -157.1277 556674.7104 -0.3260 -0.3175 PRESSURE: 825000 91.8406 -127.352 -39.0471 -127.351 215.96 84.8305 -39.0466 84.8303 221.68 GPRESSURE: 825000 89.0769 -161.061 -138.579 -129.442 305.646 123.858 -11.128 64.6629 227.779 PRESSAVG: 825000 -57.4136 -35.2281 -24.2154 -35.2281 -4.45419 30.562 -24.2154 30.562 26.9441 GPRESSAVG: 825000 -58.3886 -36.2153 -23.1925 -35.1158 -4.42136 30.9937 -20.5591 31.0083 27.6935 TIMING: 825000 CPU: 2477.59, 0.00296474/step Wall: 2477.59, 0.00296473/step, 3.43827 hours remaining, 208.074219 MB of memory in use. ENERGY: 825000 720.8586 2084.9965 1903.3784 97.9586 -206425.8561 17924.1279 0.0000 0.0000 34421.8722 -149272.6639 300.6148 -183694.5361 -149165.8199 298.8928 176.4937 207.5008 556387.8807 -11.6412 -11.7055 PRESSURE: 825200 1.36564 -84.1461 -52.7563 -84.1464 -38.4472 -163.493 -52.756 -163.493 -93.0373 GPRESSURE: 825200 -49.1632 -79.5191 -156.795 -83.6713 57.4824 -162.041 -17.3317 -205.968 -40.171 PRESSAVG: 825200 -1.94485 -18.4413 -37.3718 -18.4414 41.2462 -7.77004 -37.3719 -7.76998 -58.2462 GPRESSAVG: 825200 -2.47306 -20.3196 -36.273 -19.0553 42.0008 -7.47913 -39.2771 -8.54001 -58.7494 TIMING: 825200 CPU: 2478.19, 0.00299812/step Wall: 2478.19, 0.00299812/step, 3.47682 hours remaining, 208.074219 MB of memory in use. ENERGY: 825200 705.5396 2133.8780 1915.3702 111.8613 -206197.1011 17739.7759 0.0000 0.0000 34238.0426 -149352.6335 299.0093 -183590.6762 -149251.0590 299.4625 -43.3730 -10.6173 558637.2748 -6.3150 -6.4072 PRESSURE: 825400 -16.3846 51.5114 71.9226 51.5122 137.427 35.7251 71.9221 35.7264 40.5147 GPRESSURE: 825400 14.745 126.43 84.7595 -27.7087 183.416 14.6314 -44.2381 -99.3415 48.9852 PRESSAVG: 825400 50.2646 3.57043 -30.6096 3.57047 52.0677 -16.2567 -30.6097 -16.2569 -33.3505 GPRESSAVG: 825400 52.1547 6.01263 -31.1136 2.3904 50.7449 -18.5304 -31.3608 -13.9503 -33.6471 TIMING: 825400 CPU: 2478.79, 0.00298215/step Wall: 2478.79, 0.00298215/step, 3.45814 hours remaining, 208.074219 MB of memory in use. ENERGY: 825400 749.3225 2082.6351 1903.3590 116.9201 -206313.3366 17874.9775 0.0000 0.0000 34219.9548 -149366.1675 298.8514 -183586.1223 -149274.2515 299.1077 53.8525 82.3819 556560.8788 22.9939 23.0842 PRESSURE: 825600 -19.664 30.4293 117.182 30.4289 -160.275 -21.9308 117.182 -21.9297 -36.1688 GPRESSURE: 825600 -17.5628 98.8036 107.428 -63.7208 -136.875 12.3735 70.6634 41.4201 21.5223 PRESSAVG: 825600 -24.4841 -22.6423 18.6005 -22.6423 -25.7545 26.3541 18.6003 26.354 61.5309 GPRESSAVG: 825600 -25.197 -23.2316 18.8281 -23.1627 -25.2551 26.8836 20.3359 24.7955 61.3308 TIMING: 825600 CPU: 2479.39, 0.0030022/step Wall: 2479.39, 0.0030022/step, 3.48122 hours remaining, 208.074219 MB of memory in use. ENERGY: 825600 775.9309 2096.7973 1916.6844 99.2204 -206200.5791 17705.6578 0.0000 0.0000 34310.9604 -149295.3279 299.6462 -183606.2883 -149195.9896 299.0697 -72.0359 -44.3050 556469.3594 3.7641 3.6262 PRESSURE: 825800 -338.462 -78.0645 42.3924 -78.0627 -18.7891 -82.1151 42.3929 -82.1148 -223.61 GPRESSURE: 825800 -336.284 -21.0593 61.5189 -112.14 33.6011 -40.3571 60.5741 -58.6202 -177.365 PRESSAVG: 825800 -11.4692 -27.7424 -10.4453 -27.7425 14.3158 -37.6753 -10.4454 -37.6753 1.09535 GPRESSAVG: 825800 -10.1812 -27.0799 -10.4194 -28.4471 13.4767 -37.3904 -11.3237 -37.8091 0.535904 TIMING: 825800 CPU: 2479.99, 0.00298066/step Wall: 2479.99, 0.00298066/step, 3.45608 hours remaining, 208.074219 MB of memory in use. ENERGY: 825800 806.3521 2087.0466 1939.9245 116.5523 -206361.4624 17806.2600 0.0000 0.0000 34334.6848 -149270.6421 299.8533 -183605.3269 -149172.2043 299.4011 -193.6202 -160.0160 556919.7491 1.3140 1.2772 PRESSURE: 826000 -478.195 121.79 78.2159 121.791 -90.4387 53.0291 78.2162 53.027 75.2363 GPRESSURE: 826000 -432.783 154.151 15.3928 89.1557 -12.84 49.7351 18.3107 -11.0746 60.3047 PRESSAVG: 826000 -30.1781 -18.9356 9.77659 -18.9355 33.6485 7.18741 9.77667 7.18732 11.2885 GPRESSAVG: 826000 -32.956 -19.2515 10.4575 -17.0136 34.8831 6.71799 8.33524 9.28771 13.0746 TIMING: 826000 CPU: 2480.59, 0.00301339/step Wall: 2480.59, 0.00301339/step, 3.49386 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: 826000 772.4334 2094.2305 1917.5361 107.4888 -205708.0063 17507.0887 0.0000 0.0000 34198.6515 -149110.5773 298.6653 -183309.2288 -149021.4897 299.7756 -164.4659 -128.4394 558215.6579 4.9196 5.0006 PRESSURE: 826200 -178.119 85.1092 -48.4367 85.1094 299.987 -16.4359 -48.4353 -16.4363 54.0571 GPRESSURE: 826200 -145.554 211.704 -38.6826 75.492 343.15 88.6587 -17.7201 -94.3375 78.251 PRESSAVG: 826200 -0.655049 55.2247 49.6035 55.2248 -0.743699 30.042 49.6035 30.0419 7.30048 GPRESSAVG: 826200 0.483851 55.9825 48.3476 56.1574 -0.827276 31.3946 49.7867 29.4849 6.40199 TIMING: 826200 CPU: 2481.19, 0.00298689/step Wall: 2481.19, 0.00298689/step, 3.46297 hours remaining, 208.074219 MB of memory in use. ENERGY: 826200 724.1002 2072.3850 1914.1734 123.1711 -206168.7016 18002.1982 0.0000 0.0000 34207.9789 -149124.6947 298.7468 -183332.6737 -149031.8625 299.7922 58.6416 91.9491 557810.1031 1.9672 2.0195 PRESSURE: 826400 -10.9247 -210.46 114.109 -210.46 107.695 -26.5311 114.109 -26.5317 149.671 GPRESSURE: 826400 -32.4991 -130.465 109.539 -181.697 166.919 -10.4404 225.903 -18.6374 203.88 PRESSAVG: 826400 -30.3757 -37.9013 -22.0788 -37.9014 -9.96477 0.197886 -22.0787 0.197901 -16.1716 GPRESSAVG: 826400 -30.8297 -38.8477 -20.2464 -42.3714 -10.1522 -0.707342 -22.9163 -0.0786507 -15.3774 TIMING: 826400 CPU: 2481.79, 0.00298941/step Wall: 2481.79, 0.00298941/step, 3.46573 hours remaining, 208.332031 MB of memory in use. ENERGY: 826400 711.1200 2052.9199 1911.9840 101.3284 -206454.4768 18022.7726 0.0000 0.0000 34498.2826 -149156.0693 301.2821 -183654.3519 -149053.7928 299.3308 82.1472 112.7665 558013.8371 -18.8374 -18.7864 PRESSURE: 826600 118.634 48.1527 5.90757 48.1525 5.84711 3.10983 5.90704 3.11059 48.8882 GPRESSURE: 826600 156.065 30.4703 -25.1088 8.7182 45.6386 -127.3 62.8434 21.071 60.0095 PRESSAVG: 826600 44.439 27.9401 -30.8333 27.9401 19.5735 -6.06743 -30.8334 -6.06748 -49.885 GPRESSAVG: 826600 44.9436 28.2779 -34.0668 32.1214 20.2475 -7.67818 -30.2325 -5.29367 -51.1286 TIMING: 826600 CPU: 2482.38, 0.00298787/step Wall: 2482.38, 0.00298787/step, 3.46377 hours remaining, 208.332031 MB of memory in use. ENERGY: 826600 729.0265 2106.7748 1924.6048 113.1471 -206277.4340 17940.5539 0.0000 0.0000 34288.2633 -149175.0635 299.4479 -183463.3268 -149078.6013 300.2757 57.7898 87.2376 556940.9371 4.7092 4.6875 PRESSURE: 826800 219.141 -214.604 -57.0078 -214.603 39.6239 126.614 -57.0083 126.611 80.8404 GPRESSURE: 826800 248.031 -181.66 -42.3101 -215.365 102.81 170.474 -5.41803 30.9942 76.0796 PRESSAVG: 826800 106.751 -44.012 -2.17538 -44.012 -22.7714 19.7189 -2.17547 19.719 -43.2852 GPRESSAVG: 826800 107.508 -45.6192 -0.229178 -43.8828 -23.2499 21.7047 -1.89259 19.2817 -43.6709 TIMING: 826800 CPU: 2482.98, 0.00300758/step Wall: 2482.98, 0.00300758/step, 3.48645 hours remaining, 208.332031 MB of memory in use. ENERGY: 826800 751.0716 2105.2196 1903.3551 124.2593 -206665.2433 18036.4179 0.0000 0.0000 34200.9452 -149543.9747 298.6854 -183744.9198 -149442.6808 299.1783 113.2019 142.3071 556479.2583 13.5649 13.5290 PRESSURE: 827000 -242.913 -88.3466 -90.1882 -88.347 -148.54 82.4725 -90.1884 82.4708 -116.225 GPRESSURE: 827000 -190.347 -77.723 -39.9354 -14.9337 -106.44 65.5173 -117.228 31.7168 -94.7467 PRESSAVG: 827000 60.7073 -70.7783 -21.1412 -70.7783 -47.9621 19.4734 -21.1412 19.4733 3.19049 GPRESSAVG: 827000 59.8296 -69.4807 -22.7 -71.2998 -48.3917 18.5095 -21.0409 20.5832 3.68333 TIMING: 827000 CPU: 2483.58, 0.00299873/step Wall: 2483.58, 0.00299873/step, 3.47603 hours remaining, 208.332031 MB of memory in use. ENERGY: 827000 778.4688 2059.1485 1915.8490 112.4033 -206225.3583 17780.9895 0.0000 0.0000 34016.3780 -149562.1212 297.0735 -183578.4992 -149469.5510 298.0183 -169.2259 -130.5112 558334.8900 5.3119 5.0404 PRESSURE: 827200 153.075 40.0423 -37.1926 40.0428 319.397 200.557 -37.1927 200.557 162.18 GPRESSURE: 827200 176.442 58.369 -10.506 30.515 384.127 211.28 -29.6978 251.972 172.994 PRESSAVG: 827200 5.05256 14.4677 3.87322 14.4677 -15.4032 24.7156 3.8732 24.7157 -0.992234 GPRESSAVG: 827200 5.80667 16.387 5.1284 14.1286 -15.7908 24.9647 4.02506 24.0441 -1.80354 TIMING: 827200 CPU: 2484.19, 0.00303085/step Wall: 2484.19, 0.00303085/step, 3.5131 hours remaining, 208.332031 MB of memory in use. ENERGY: 827200 773.7927 2098.4234 1899.5441 117.5113 -206818.6125 18379.5043 0.0000 0.0000 34309.0747 -149240.7619 299.6297 -183549.8366 -149145.5202 298.3741 211.5503 244.5211 557129.7996 -3.7810 -3.9292 PRESSURE: 827400 -64.8946 -16.219 -7.64141 -16.2177 98.1562 -40.252 -7.64142 -40.2519 -273.86 GPRESSURE: 827400 -81.0765 -90.3515 6.78438 32.0089 138.605 -48.7842 67.2188 -55.1265 -209.896 PRESSAVG: 827400 -26.7632 -9.5013 14.278 -9.5013 80.8546 0.630539 14.2779 0.630543 1.72193 GPRESSAVG: 827400 -26.5456 -9.75591 13.1384 -10.3526 79.3464 0.696246 14.3266 0.24569 2.66695 TIMING: 827400 CPU: 2484.79, 0.00301026/step Wall: 2484.79, 0.00301026/step, 3.48905 hours remaining, 208.332031 MB of memory in use. ENERGY: 827400 765.1214 2102.0152 1919.3941 106.3237 -206235.0375 17864.1721 0.0000 0.0000 34093.2869 -149384.7242 297.7452 -183478.0111 -149288.0438 298.6472 -80.1995 -50.7890 557973.0266 18.6044 18.4892 PRESSURE: 827600 -29.1387 -129.682 -97.0276 -129.682 58.3985 106.681 -97.0277 106.683 219.167 GPRESSURE: 827600 -9.25845 -93.3786 -112.493 -147.282 132.651 -15.8557 -118.868 128.092 219.847 PRESSAVG: 827600 27.5337 -76.717 30.5505 -76.7171 -4.39768 24.1164 30.5506 24.1164 -28.3808 GPRESSAVG: 827600 26.2252 -79.4927 33.4016 -75.6848 -2.97199 23.3399 31.0359 24.7783 -28.9445 TIMING: 827600 CPU: 2485.39, 0.00299367/step Wall: 2485.39, 0.00299367/step, 3.46966 hours remaining, 208.332031 MB of memory in use. ENERGY: 827600 747.1371 2119.4324 1915.2428 117.4833 -206553.5255 17947.1547 0.0000 0.0000 34336.2736 -149370.8016 299.8672 -183707.0752 -149271.1125 298.9982 82.8089 114.4131 556820.7311 -1.7483 -1.8971 PRESSURE: 827800 -164.202 -207.943 -184.159 -207.942 -199.106 109.002 -184.159 108.999 49.62 GPRESSURE: 827800 -137.377 -83.2356 -126.302 -251.54 -171.251 80.3904 -267.847 144.452 102.272 PRESSAVG: 827800 -11.5331 -51.8576 52.2043 -51.8576 18.2715 -11.9748 52.2043 -11.9749 -5.31977 GPRESSAVG: 827800 -12.072 -47.6947 50.8365 -52.1666 17.8852 -9.93168 52.766 -11.928 -4.51199 TIMING: 827800 CPU: 2485.99, 0.00300391/step Wall: 2485.99, 0.00300391/step, 3.48137 hours remaining, 208.332031 MB of memory in use. ENERGY: 827800 733.5537 2078.7070 1927.8515 120.1706 -206214.3685 17803.6722 0.0000 0.0000 34251.2226 -149299.1908 299.1244 -183550.4135 -149198.0797 299.4097 -104.5626 -68.7854 558822.1420 0.4729 0.4337 PRESSURE: 828000 -33.3203 0.289081 36.2606 0.289307 -136.474 53.5837 36.2608 53.5836 -112.742 GPRESSURE: 828000 -35.068 88.6963 25.1666 -19.97 -90.9603 -38.3195 44.1572 81.2825 -69.4581 PRESSAVG: 828000 44.6325 -22.9244 12.6207 -22.9244 -27.4508 -41.9489 12.6208 -41.9489 -38.6032 GPRESSAVG: 828000 45.6329 -24.1755 11.0874 -22.6145 -28.9108 -43.8075 13.7348 -40.5435 -38.7121 TIMING: 828000 CPU: 2486.59, 0.00299347/step Wall: 2486.59, 0.00299347/step, 3.4691 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: 828000 706.4244 2080.9726 1934.1577 130.5773 -206246.6893 17688.2172 0.0000 0.0000 34562.6937 -149143.6464 301.8446 -183706.3401 -149037.1367 299.1696 -94.1788 -65.1622 558246.6729 -7.1405 -7.3300 PRESSURE: 828200 -333.529 78.7953 -96.1379 78.7961 -137.653 108.724 -96.1375 108.726 177.053 GPRESSURE: 828200 -233.575 130.75 -120.942 -19.0101 -83.831 106.04 -64.7193 137.945 125.419 PRESSAVG: 828200 -68.8022 15.1911 49.7323 15.1911 36.5407 6.10959 49.7323 6.10952 -1.27782 GPRESSAVG: 828200 -69.3619 14.0101 53.2001 13.5552 37.3252 6.89447 49.1009 4.33341 -1.99849 TIMING: 828200 CPU: 2487.19, 0.00297822/step Wall: 2487.19, 0.00297822/step, 3.45126 hours remaining, 208.332031 MB of memory in use. ENERGY: 828200 738.1666 2100.4358 1944.9327 117.0130 -205978.2958 17529.4796 0.0000 0.0000 34300.2401 -149248.0279 299.5525 -183548.2680 -149147.6868 299.2728 -98.0431 -63.9957 556140.1681 -11.1798 -11.3451 LDB: ============= START OF LOAD BALANCING ============== 2490.7 LDB: ============== END OF LOAD BALANCING =============== 2490.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2490.7 LDB: ============= START OF LOAD BALANCING ============== 2491 LDB: Largest compute 4800 load 0.028372 is 24.1% of average load 0.117825 LDB: Average compute 0.001741 is 1.5% of average load 0.117825 LDB: TIME 2491.01 LOAD: AVG 0.117825 MAX 0.205833 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.188 MB LDB: TIME 2491.01 LOAD: AVG 0.117825 MAX 0.205833 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.191 MB LDB: TIME 2491.01 LOAD: AVG 0.117825 MAX 0.205833 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.191 MB LDB: ============== END OF LOAD BALANCING =============== 2491.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2491.01 PRESSURE: 828400 -86.0806 166.21 135.552 166.21 -72.6959 -93.8635 135.55 -93.8632 -42.9522 GPRESSURE: 828400 -54.286 90.6627 159.048 180.56 -3.17967 -248.743 111.762 -96.0762 -56.636 PRESSAVG: 828400 -1.58285 -17.3681 27.3324 -17.3681 12.3024 42.954 27.3324 42.9541 -0.522182 GPRESSAVG: 828400 -2.98317 -15.8763 26.5829 -16.3862 12.3494 41.592 24.6952 44.0077 -0.0365899 TIMING: 828400 CPU: 2487.8, 0.00304372/step Wall: 2487.8, 0.00304372/step, 3.52699 hours remaining, 207.550781 MB of memory in use. ENERGY: 828400 798.6626 2103.7435 1938.1391 110.4776 -206301.9777 17869.9050 0.0000 0.0000 34136.9315 -149344.1184 298.1263 -183481.0499 -149249.6969 298.9055 -67.2429 -38.0339 557334.8059 3.3991 3.1099 PRESSURE: 828600 111.909 54.6428 14.6076 54.6432 -34.8567 -70.9858 14.607 -70.987 -26.4559 GPRESSURE: 828600 159.642 69.337 19.3531 43.9067 -65.707 -8.22533 104.08 -102.287 56.2797 PRESSAVG: 828600 35.2772 20.3572 56.996 20.3573 -34.5665 -7.44155 56.996 -7.44155 11.4229 GPRESSAVG: 828600 35.8984 20.1459 53.916 18.6107 -34.1501 -5.54269 58.617 -7.6977 10.5252 TIMING: 828600 CPU: 2488.39, 0.00297612/step Wall: 2488.39, 0.00297612/step, 3.4485 hours remaining, 207.753906 MB of memory in use. ENERGY: 828600 750.2366 2128.3041 1905.9525 110.1037 -206181.0369 17831.0922 0.0000 0.0000 34054.0241 -149401.3237 297.4023 -183455.3478 -149300.4407 298.7845 16.8653 50.0715 557685.0045 4.0445 4.0912 PRESSURE: 828800 41.4439 7.65997 -93.6007 7.65836 -111.304 206.437 -93.6002 206.435 25.2593 GPRESSURE: 828800 108.905 -8.28484 -105.16 69.29 -60.3654 174.347 -142.801 133.893 16.7986 PRESSAVG: 828800 1.24869 6.74088 45.9907 6.74089 27.6874 31.0927 45.9908 31.0928 -3.39266 GPRESSAVG: 828800 1.82188 9.23205 47.1049 6.63511 27.2136 30.7788 45.986 30.2102 -2.90188 TIMING: 828800 CPU: 2488.98, 0.00295902/step Wall: 2488.98, 0.00295902/step, 3.42852 hours remaining, 207.753906 MB of memory in use. ENERGY: 828800 729.2397 2082.5522 1907.7019 106.3458 -206298.5212 17743.5601 0.0000 0.0000 34148.1797 -149580.9419 298.2245 -183729.1216 -149486.4023 298.2790 -14.8668 21.7795 556584.3760 8.5145 8.7112 PRESSURE: 829000 75.5713 -44.24 165.555 -44.2409 -51.1346 -0.813577 165.554 -0.81412 -100.897 GPRESSURE: 829000 112.399 -71.7727 199.828 -15.7006 -14.7445 -47.9913 184.492 39.5816 -86.5834 PRESSAVG: 829000 44.5396 10.357 4.83153 10.3569 1.4408 65.8407 4.83157 65.8406 -14.7599 GPRESSAVG: 829000 43.9635 4.83104 4.34415 13.19 1.2232 63.1118 4.6507 65.7388 -14.3986 TIMING: 829000 CPU: 2489.58, 0.00296784/step Wall: 2489.58, 0.00296784/step, 3.43857 hours remaining, 207.753906 MB of memory in use. ENERGY: 829000 771.2638 2079.5045 1925.9244 108.7146 -206684.3901 17932.2526 0.0000 0.0000 34211.4575 -149655.2727 298.7772 -183866.7302 -149560.0006 298.6913 -25.4866 3.6903 556442.4570 10.4069 10.2627 PRESSURE: 829200 90.4493 157.878 257.811 157.878 25.3461 91.8613 257.811 91.8609 -254.324 GPRESSURE: 829200 105.815 100.197 278.971 175.936 28.4371 -2.62434 200.779 143.754 -185.071 PRESSAVG: 829200 14.5154 -4.31588 50.1265 -4.31588 9.57559 -10.8309 50.1266 -10.8309 -3.81105 GPRESSAVG: 829200 15.2638 -2.49137 51.457 -4.64712 9.28726 -7.53995 49.8759 -10.4874 -4.37096 TIMING: 829200 CPU: 2490.17, 0.0029853/step Wall: 2490.17, 0.0029853/step, 3.45863 hours remaining, 207.753906 MB of memory in use. ENERGY: 829200 743.2040 2085.2031 1936.0643 123.4890 -206474.9079 17752.3713 0.0000 0.0000 34072.6711 -149761.9052 297.5651 -183834.5763 -149664.8043 298.0933 -46.1761 -16.9394 556917.7265 6.7600 6.7267 PRESSURE: 829400 63.6273 97.0153 63.158 97.015 87.48 77.2226 63.1579 77.225 72.4228 GPRESSURE: 829400 166.372 35.86 54.1954 134.232 62.3873 114.303 8.14269 69.4162 103.45 PRESSAVG: 829400 57.2816 -29.3934 92.4171 -29.3935 -24.5512 2.35734 92.417 2.35732 4.10224 GPRESSAVG: 829400 57.5707 -28.517 91.1201 -27.9063 -24.4675 0.230835 93.1782 2.91458 4.1517 TIMING: 829400 CPU: 2490.77, 0.0029793/step Wall: 2490.77, 0.0029793/step, 3.45152 hours remaining, 207.753906 MB of memory in use. ENERGY: 829400 733.3672 2106.5542 1926.9362 110.8409 -206679.5521 17845.1642 0.0000 0.0000 34339.6810 -149617.0085 299.8970 -183956.6895 -149519.8308 298.5013 74.5100 110.7366 554847.0487 12.2776 12.4183 PRESSURE: 829600 227.748 103.92 33.0414 103.921 123.381 -119.986 33.0407 -119.987 -81.6048 GPRESSURE: 829600 305.018 88.7667 -91.3669 40.6203 126.966 -49.8214 101.552 -56.361 -66.286 PRESSAVG: 829600 -3.42973 27.1219 -14.7556 27.1219 18.362 -6.74162 -14.7555 -6.74161 -47.5651 GPRESSAVG: 829600 -4.67249 28.0161 -12.1153 24.0342 18.5116 -5.46541 -16.5932 -6.02951 -46.1982 TIMING: 829600 CPU: 2491.37, 0.00298948/step Wall: 2491.37, 0.00298948/step, 3.46314 hours remaining, 207.753906 MB of memory in use. ENERGY: 829600 748.2211 2117.6672 1901.7101 123.8079 -206773.9147 18107.6611 0.0000 0.0000 34151.6654 -149623.1820 298.2550 -183774.8474 -149528.9091 298.3643 89.8414 121.8992 556740.6108 -10.8776 -10.7864 PRESSURE: 829800 92.9473 -56.1856 -115.784 -56.1855 57.4419 14.4119 -115.785 14.4142 107.748 GPRESSURE: 829800 92.6567 -93.7392 -67.8065 -113.64 90.416 -46.0981 -114.612 85.6903 168.433 PRESSAVG: 829800 43.9112 18.1702 30.8397 18.1703 5.55801 42.5907 30.8397 42.5908 -12.9826 GPRESSAVG: 829800 45.165 16.3847 29.0738 16.9991 5.26179 42.1939 32.2698 42.4075 -14.0969 TIMING: 829800 CPU: 2491.96, 0.00295847/step Wall: 2491.96, 0.00295847/step, 3.42706 hours remaining, 207.753906 MB of memory in use. ENERGY: 829800 738.6705 2081.4916 1936.6144 126.2227 -206511.5120 17911.0619 0.0000 0.0000 34103.8574 -149613.5935 297.8375 -183717.4509 -149518.8299 298.4884 86.0457 117.1684 556801.7961 12.1622 12.1100 PRESSURE: 830000 -84.3256 87.4614 -110.031 87.4628 -126.671 36.9881 -110.03 36.9895 80.349 GPRESSURE: 830000 -47.2094 2.5643 -68.521 150.377 -119.751 -0.492525 -79.5299 27.5118 129.278 PRESSAVG: 830000 10.8833 9.89069 -48.0727 9.89069 -27.8282 32.4895 -48.0727 32.4894 -10.6835 GPRESSAVG: 830000 10.4676 9.91814 -47.7666 13.072 -26.9965 32.9171 -49.2128 32.5976 -10.6272 TIMING: 830000 CPU: 2492.56, 0.00300169/step Wall: 2492.56, 0.00300169/step, 3.47695 hours remaining, 207.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 830000 709.3831 2094.9350 1914.9503 109.6672 -206261.0232 17692.6247 0.0000 0.0000 34204.0925 -149535.3705 298.7128 -183739.4630 -149435.9137 297.8997 -43.5492 -12.5609 557533.6261 -9.2095 -9.0520 PRESSURE: 830200 -236.627 -23.0151 71.827 -23.0165 -36.2015 13.0575 71.8259 13.056 -107.852 GPRESSURE: 830200 -239.234 1.25666 72.9068 -82.5621 44.3405 42.5099 50.5985 -56.6163 -83.7792 PRESSAVG: 830200 31.9968 -15.918 59.5259 -15.9181 35.8784 20.5992 59.526 20.5991 -75.3696 GPRESSAVG: 830200 32.7314 -14.9384 57.5374 -17.1689 34.8145 20.2423 61.3946 19.8431 -74.9396 TIMING: 830200 CPU: 2493.16, 0.00299646/step Wall: 2493.16, 0.00299646/step, 3.47073 hours remaining, 207.753906 MB of memory in use. ENERGY: 830200 752.5183 2090.3715 1904.1471 118.3072 -206457.3533 17694.3421 0.0000 0.0000 34198.3044 -149699.3626 298.6623 -183897.6670 -149599.8111 298.0493 -126.8936 -92.8909 559316.2095 -2.4981 -2.4646 PRESSURE: 830400 201.239 -32.032 126.371 -32.0319 -200.994 141.336 126.371 141.337 174.784 GPRESSURE: 830400 242.15 -55.1885 108.063 -21.6095 -157.853 28.3706 95.9405 149.503 186.835 PRESSAVG: 830400 38.4457 22.3628 31.817 22.3628 -44.6761 60.8561 31.817 60.856 6.90431 GPRESSAVG: 830400 38.3407 20.4281 32.7099 24.7508 -45.3798 60.831 30.968 61.1764 7.84806 TIMING: 830400 CPU: 2493.76, 0.00301449/step Wall: 2493.76, 0.00301449/step, 3.49145 hours remaining, 207.753906 MB of memory in use. ENERGY: 830400 740.4954 2092.5722 1900.2870 119.8551 -206527.2926 18001.2975 0.0000 0.0000 33896.4109 -149776.3744 296.0258 -183672.7854 -149682.9809 297.2781 58.3433 90.3771 557858.3256 0.2246 0.2697 PRESSURE: 830600 -163.331 -263.202 147.87 -263.203 288.968 -35.7244 147.869 -35.7243 40.7108 GPRESSURE: 830600 -93.1151 -248.354 145.694 -227.789 293.073 -122.621 123.453 37.3491 67.6571 PRESSAVG: 830600 24.0581 -46.5391 -2.8599 -46.5392 25.0283 30.1827 -2.85989 30.1827 -65.9875 GPRESSAVG: 830600 23.5388 -44.6457 -2.77288 -49.3108 25.4964 28.7801 -3.20454 29.776 -66.1121 TIMING: 830600 CPU: 2494.36, 0.00298059/step Wall: 2494.36, 0.00298059/step, 3.45202 hours remaining, 207.753906 MB of memory in use. ENERGY: 830600 771.4933 2096.6435 1888.1058 113.8496 -206845.2809 18259.4461 0.0000 0.0000 33967.5185 -149748.2242 296.6468 -183715.7427 -149651.3105 297.2363 55.4495 89.2050 558689.8283 -5.6337 -5.6923 PRESSURE: 830800 -58.6314 33.1208 35.6314 33.1203 78.4114 72.5367 35.6307 72.5377 304.979 GPRESSURE: 830800 -41.8265 31.596 -17.1248 53.5907 114.567 126.317 84.8979 17.2987 341.703 PRESSAVG: 830800 19.8668 -33.1431 39.2724 -33.1431 34.6315 1.93299 39.2724 1.93301 -21.1553 GPRESSAVG: 830800 20.0299 -32.6542 39.5553 -33.1989 34.1178 1.77523 39.5598 1.53155 -21.128 TIMING: 830800 CPU: 2494.95, 0.00298829/step Wall: 2494.95, 0.00298829/step, 3.46077 hours remaining, 207.753906 MB of memory in use. ENERGY: 830800 733.9182 2086.5754 1916.1129 112.2280 -206845.0808 18060.8197 0.0000 0.0000 34156.1592 -149779.2674 298.2942 -183935.4266 -149678.4988 297.0675 108.2529 138.1478 556478.2521 11.1143 11.0066 PRESSURE: 831000 79.7383 -55.1908 190.427 -55.191 142.538 -28.3577 190.426 -28.3572 88.0759 GPRESSURE: 831000 130.421 -44.518 204.723 -61.7094 170.068 44.7086 202.133 -88.5386 112.76 PRESSAVG: 831000 -17.1105 -56.4796 47.9524 -56.4797 20.9389 -47.461 47.9524 -47.4609 -11.0282 GPRESSAVG: 831000 -17.2278 -58.322 49.4595 -53.4868 21.8229 -46.163 48.5279 -48.2864 -11.3501 TIMING: 831000 CPU: 2495.55, 0.00298097/step Wall: 2495.55, 0.00298097/step, 3.45212 hours remaining, 207.753906 MB of memory in use. ENERGY: 831000 727.0125 2114.1655 1927.3107 114.5711 -206835.0447 18106.2640 0.0000 0.0000 34038.5748 -149807.1461 297.2673 -183845.7209 -149712.5471 297.3663 103.4509 137.7496 557433.0149 -2.3999 -2.2517 PRESSURE: 831200 -226.904 -94.9329 108.543 -94.9313 69.6526 88.7272 108.543 88.7281 -99.6061 GPRESSURE: 831200 -212.303 -62.4374 106.33 -82.2693 88.4432 132.029 120.843 78.2454 -40.3288 PRESSAVG: 831200 -51.4402 -28.6359 26.5616 -28.636 53.0466 31.2082 26.5617 31.2083 19.0771 GPRESSAVG: 831200 -52.0144 -25.5631 26.9422 -30.6398 53.7725 28.6077 26.62 35.178 18.7162 TIMING: 831200 CPU: 2496.15, 0.0029933/step Wall: 2496.15, 0.0029933/step, 3.46624 hours remaining, 207.753906 MB of memory in use. ENERGY: 831200 753.9282 2121.9544 1888.2835 104.9373 -206350.0288 17817.2998 0.0000 0.0000 33874.3528 -149789.2729 295.8331 -183663.6257 -149694.6421 297.7074 -85.6192 -54.7296 558127.2696 6.8945 6.8248 PRESSURE: 831400 79.8722 -37.4466 -15.9248 -37.4454 -76.7498 -53.5379 -15.9249 -53.5371 -353.966 GPRESSURE: 831400 84.9803 20.7745 99.1122 -129.682 -52.2597 12.9048 -47.5473 -100.306 -279.878 PRESSAVG: 831400 -37.5179 -4.98354 -5.31168 -4.9835 75.3301 -21.1462 -5.31175 -21.1461 -33.1696 GPRESSAVG: 831400 -37.8492 -5.83385 -8.96091 -5.34769 75.2784 -19.7314 -4.30228 -23.989 -33.0391 TIMING: 831400 CPU: 2496.75, 0.00298202/step Wall: 2496.75, 0.00298202/step, 3.45302 hours remaining, 207.753906 MB of memory in use. ENERGY: 831400 771.6509 2165.9946 1904.7357 125.9575 -206505.7287 17793.9325 0.0000 0.0000 34110.4943 -149632.9633 297.8954 -183743.4576 -149552.0743 297.5848 -116.9478 -82.3857 558526.7628 1.5476 1.4634 PRESSURE: 831600 -346.74 -0.679131 152.702 -0.678903 -112.68 -62.9191 152.7 -62.9186 -324.386 GPRESSURE: 831600 -248.058 1.66703 66.5777 53.5824 -92.6155 -116.256 221.566 -63.4868 -349.708 PRESSAVG: 831600 32.4489 41.08 49.7105 41.0801 -27.3863 -11.7095 49.7104 -11.7094 25.3954 GPRESSAVG: 831600 33.2578 39.86 50.5012 41.856 -27.8435 -11.5696 50.8674 -12.8963 25.2424 TIMING: 831600 CPU: 2497.34, 0.00298776/step Wall: 2497.34, 0.00298776/step, 3.45949 hours remaining, 207.753906 MB of memory in use. ENERGY: 831600 772.6697 2082.0024 1933.2323 118.6312 -206511.1950 17870.3725 0.0000 0.0000 34341.4662 -149392.8206 299.9126 -183734.2869 -149287.2395 298.2229 -261.2686 -230.1273 559630.5808 10.1526 10.2189 PRESSURE: 831800 -357.78 -128.404 -87.6517 -128.401 -120.531 -172.711 -87.6519 -172.711 -81.8157 GPRESSURE: 831800 -290.688 -137.528 -0.0465621 -167.494 -108.066 -176.281 -27.0841 -226.186 -64.7295 PRESSAVG: 831800 -28.9131 -41.4675 14.5186 -41.4674 -5.90343 -32.6607 14.5186 -32.6606 68.7015 GPRESSAVG: 831800 -29.584 -42.0616 14.782 -41.1299 -5.67626 -32.7846 12.0309 -33.2146 69.2148 TIMING: 831800 CPU: 2497.94, 0.00299617/step Wall: 2497.94, 0.00299617/step, 3.46907 hours remaining, 207.753906 MB of memory in use. ENERGY: 831800 786.3952 2091.4249 1897.9949 117.6828 -206246.3741 17685.2809 0.0000 0.0000 34268.1179 -149399.4777 299.2720 -183667.5956 -149303.8895 299.4062 -186.7091 -154.4946 558907.0312 11.2950 11.3182 PRESSURE: 832000 79.1741 101.541 4.28945 101.542 -255.887 -84.057 4.2899 -84.056 -46.3792 GPRESSURE: 832000 111.207 131.78 -45.5324 106.033 -209.368 -130.436 81.6806 -25.7761 -30.7021 PRESSAVG: 832000 -13.1141 -6.35499 -18.3497 -6.355 -18.0672 -6.91191 -18.3497 -6.91193 68.3705 GPRESSAVG: 832000 -12.1331 -5.63105 -18.9101 -6.20416 -18.5615 -7.00873 -18.85 -4.46523 67.8552 TIMING: 832000 CPU: 2498.54, 0.0029897/step Wall: 2498.54, 0.0029897/step, 3.46141 hours remaining, 207.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 832000 766.8588 2067.4072 1926.9681 113.8536 -205991.9194 17680.2889 0.0000 0.0000 34113.9151 -149322.6277 297.9253 -183436.5428 -149224.1982 299.0765 -74.3642 -42.9546 559394.2364 12.3964 12.3869 PRESSURE: 832200 81.7222 -78.1321 -45.7814 -78.1304 -53.4349 81.5528 -45.7807 81.5498 -9.80953 GPRESSURE: 832200 89.5744 -104.469 -12.5729 -12.7293 7.70789 115.337 -79.8013 126.831 29.3327 PRESSAVG: 832200 -27.5993 37.7334 -12.4875 37.7334 -33.1701 63.1546 -12.4874 63.1546 28.5661 GPRESSAVG: 832200 -27.939 38.3826 -10.9032 36.4255 -32.9676 63.7149 -12.2506 61.7633 28.805 TIMING: 832200 CPU: 2499.14, 0.002992/step Wall: 2499.14, 0.002992/step, 3.4639 hours remaining, 207.753906 MB of memory in use. ENERGY: 832200 792.0531 2137.7790 1905.6750 123.3059 -206707.6608 18071.6339 0.0000 0.0000 34075.2728 -149601.9410 297.5878 -183677.2138 -149504.7333 298.6410 6.1593 42.2050 558976.3444 -10.7344 -10.7005 LDB: ============= START OF LOAD BALANCING ============== 2502.65 LDB: ============== END OF LOAD BALANCING =============== 2502.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2502.66 LDB: ============= START OF LOAD BALANCING ============== 2502.96 LDB: Largest compute 4773 load 0.027039 is 22.9% of average load 0.117992 LDB: Average compute 0.001734 is 1.5% of average load 0.117992 LDB: TIME 2502.96 LOAD: AVG 0.117992 MAX 0.20598 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.195 MB LDB: TIME 2502.96 LOAD: AVG 0.117992 MAX 0.20598 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.398 MB LDB: TIME 2502.96 LOAD: AVG 0.117992 MAX 0.20598 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.398 MB LDB: ============== END OF LOAD BALANCING =============== 2502.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2502.96 PRESSURE: 832400 57.3991 45.1194 123.568 45.1195 -46.0142 -40.1544 123.567 -40.1565 81.6513 GPRESSURE: 832400 73.5227 36.0689 141.39 1.41846 1.12836 -55.0682 90.6298 -49.6508 109.307 PRESSAVG: 832400 -6.33958 -24.4122 -22.2752 -24.4121 -35.2341 -0.542292 -22.2751 -0.542164 45.0805 GPRESSAVG: 832400 -6.36439 -25.7521 -22.8559 -25.1531 -34.2543 -2.01215 -22.272 -0.649776 43.8403 TIMING: 832400 CPU: 2499.75, 0.00304597/step Wall: 2499.75, 0.00304597/step, 3.52622 hours remaining, 207.449219 MB of memory in use. ENERGY: 832400 739.4464 2123.5083 1920.5620 112.5618 -206740.1923 18071.2010 0.0000 0.0000 34140.1502 -149632.7625 298.1544 -183772.9127 -149533.1151 298.2495 31.0121 61.3193 558263.7655 1.1689 1.0739 PRESSURE: 832600 -140.238 -52.342 -86.8759 -52.3424 -303 79.6639 -86.8761 79.6642 10.1871 GPRESSURE: 832600 -112.452 22.9515 -70.7551 -75.5483 -274.035 98.2486 -128.551 89.173 55.2655 PRESSAVG: 832600 -85.1673 -28.423 -18.515 -28.423 41.9179 30.6468 -18.5151 30.6468 60.3469 GPRESSAVG: 832600 -85.048 -28.8616 -18.6071 -25.2955 41.173 31.7803 -17.8397 32.3134 60.4922 TIMING: 832600 CPU: 2500.35, 0.00300008/step Wall: 2500.35, 0.00300008/step, 3.47293 hours remaining, 207.652344 MB of memory in use. ENERGY: 832600 730.5723 2117.0090 1924.2661 114.8935 -206355.2106 17626.8044 0.0000 0.0000 34172.3281 -149669.3373 298.4354 -183841.6654 -149582.2601 298.1568 -144.3502 -110.4072 557111.7189 5.6992 5.5391 PRESSURE: 832800 -50.0637 109.659 -72.9499 109.659 -146.096 68.8676 -72.9492 68.8685 -206.735 GPRESSURE: 832800 -16.0265 134.469 -75.8031 184.525 -142.031 37.2593 -75.9019 70.2864 -151.629 PRESSAVG: 832800 25.0835 34.8046 15.5867 34.8046 -87.697 22.9813 15.5867 22.9813 34.2587 GPRESSAVG: 832800 24.3986 36.933 14.4027 34.0556 -87.2383 24.5887 15.1902 21.8716 34.6298 TIMING: 832800 CPU: 2500.95, 0.0030339/step Wall: 2500.95, 0.0030339/step, 3.51191 hours remaining, 207.652344 MB of memory in use. ENERGY: 832800 756.9543 2099.3462 1937.0042 111.9351 -206310.9934 17601.8142 0.0000 0.0000 34240.5271 -149563.4123 299.0310 -183803.9393 -149471.3044 297.9027 -134.2983 -103.2290 556092.6283 -9.4516 -9.4033 PRESSURE: 833000 -72.9808 67.9638 85.6308 67.9652 -141.047 -155.784 85.6318 -155.784 228.185 GPRESSURE: 833000 -22.8093 91.8794 58.2932 27.044 -106.435 -162.156 36.6469 -174.571 261.129 PRESSAVG: 833000 -8.68494 21.2691 -47.1878 21.269 25.5882 50.2875 -47.1878 50.2875 11.4834 GPRESSAVG: 833000 -7.42287 22.3486 -47.5989 20.1037 26.1981 49.0112 -44.6898 50.1576 10.2497 TIMING: 833000 CPU: 2501.56, 0.00302934/step Wall: 2501.56, 0.00302934/step, 3.50647 hours remaining, 207.652344 MB of memory in use. ENERGY: 833000 759.6963 2067.1729 1929.7192 118.8861 -206568.2495 17952.7666 0.0000 0.0000 34187.8284 -149552.1801 298.5708 -183740.0085 -149456.3646 298.2358 4.7190 43.9617 556507.5898 9.4622 9.6750 PRESSURE: 833200 -268.69 -213.734 -59.8072 -213.733 -311.393 37.2437 -59.8078 37.2426 134.868 GPRESSURE: 833200 -181.209 -261.409 -51.9679 -147.778 -262.487 27.8083 -59.9605 83.3559 109.024 PRESSAVG: 833200 -10.6526 33.6433 -2.16876 33.6433 -39.8829 12.8149 -2.16875 12.815 45.113 GPRESSAVG: 833200 -10.0371 31.792 -1.63702 32.3538 -40.7081 12.8955 -3.99656 12.2446 45.502 TIMING: 833200 CPU: 2502.16, 0.00301659/step Wall: 2502.16, 0.00301659/step, 3.49153 hours remaining, 207.652344 MB of memory in use. ENERGY: 833200 766.5583 2094.1114 1928.4138 113.5123 -206197.0129 17637.5924 0.0000 0.0000 34128.7915 -149528.0332 298.0552 -183656.8247 -149421.0830 298.5361 -148.4049 -111.5573 556404.9244 -1.8075 -1.7477 PRESSURE: 833400 75.0491 205.507 54.3941 205.507 23.9402 66.5281 54.3945 66.5283 76.2072 GPRESSURE: 833400 156.642 158.768 88.2801 166.519 66.0492 -45.4191 -22.6158 64.7657 48.2057 PRESSAVG: 833400 -21.8046 -59.1952 -48.3839 -59.1952 16.2343 -42.5961 -48.3841 -42.596 69.1441 GPRESSAVG: 833400 -22.169 -59.8355 -49.6131 -57.3851 16.7584 -44.3981 -48.2436 -40.3484 68.488 TIMING: 833400 CPU: 2502.77, 0.00302953/step Wall: 2502.77, 0.00302953/step, 3.50634 hours remaining, 207.652344 MB of memory in use. ENERGY: 833400 709.0199 2070.1685 1948.9298 102.2198 -206576.1638 17880.1768 0.0000 0.0000 34289.9569 -149575.6922 299.4627 -183865.6491 -149474.9456 298.2904 58.3988 90.2989 556875.1516 21.1913 21.0258 PRESSURE: 833600 -88.1057 -98.43 27.1835 -98.4295 -286.789 20.6292 27.1844 20.629 -129.643 GPRESSURE: 833600 -38.1196 -118.203 35.6144 -16.3892 -199.224 9.78813 37.974 52.4891 -166.845 PRESSAVG: 833600 87.6154 20.9917 13.8288 20.9916 -34.4654 27.9436 13.8288 27.9436 0.243111 GPRESSAVG: 833600 87.4076 19.9267 13.8868 22.9281 -35.225 31.1363 13.6472 26.8299 1.12634 TIMING: 833600 CPU: 2503.37, 0.00301307/step Wall: 2503.37, 0.00301307/step, 3.48712 hours remaining, 207.652344 MB of memory in use. ENERGY: 833600 736.4919 2127.1789 1949.2644 107.8381 -206222.1644 17689.7056 0.0000 0.0000 34069.7758 -149541.9097 297.5398 -183611.6855 -149432.9919 298.0072 -168.1791 -134.7295 558578.7430 17.7977 17.7696 PRESSURE: 833800 39.2782 -157.171 -13.6141 -157.171 -291.275 -162.39 -13.6143 -162.391 -92.5406 GPRESSURE: 833800 30.7088 -120.339 71.3872 -112.293 -236.07 -124.613 -38.8728 -157.239 -59.5352 PRESSAVG: 833800 69.9295 -11.0613 -18.0472 -11.0613 -61.8133 -16.2791 -18.0471 -16.279 1.55748 GPRESSAVG: 833800 69.8493 -10.1153 -16.5964 -11.5302 -60.7661 -16.8766 -19.491 -17.7198 0.896449 TIMING: 833800 CPU: 2503.98, 0.00302912/step Wall: 2503.98, 0.00302912/step, 3.50553 hours remaining, 207.652344 MB of memory in use. ENERGY: 833800 776.3271 2073.3245 1910.9694 108.3205 -206732.9312 17823.2211 0.0000 0.0000 34362.7079 -149678.0607 300.0981 -184040.7686 -149578.0046 298.3102 -114.8458 -88.2989 557409.1747 3.2246 3.3266 PRESSURE: 834000 150.245 183.988 71.4738 183.988 341.425 63.5077 71.4735 63.5088 45.5855 GPRESSURE: 834000 152.932 105.441 88.5459 245.309 408.884 119.395 38.7298 33.9491 58.556 PRESSAVG: 834000 -1.23983 -6.3597 47.5888 -6.35969 -8.8701 -4.37088 47.5888 -4.37091 37.4409 GPRESSAVG: 834000 -1.65401 -5.81611 47.8043 -8.09643 -9.4328 -5.62773 48.742 -3.95869 38.2862 TIMING: 834000 CPU: 2504.58, 0.00299131/step Wall: 2504.58, 0.00299131/step, 3.46161 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: 834000 743.7248 2086.8177 1887.3619 105.3102 -206923.6958 18196.3448 0.0000 0.0000 34154.8159 -149749.3204 298.2825 -183904.1363 -149657.8443 298.2684 179.0852 206.7905 556681.2842 9.1103 9.0665 PRESSURE: 834200 -85.6327 29.2145 71.6044 29.2144 75.4705 -169.223 71.604 -169.223 -97.6302 GPRESSURE: 834200 -9.85196 40.5801 95.283 8.20717 119.946 -131.311 63.3775 -112.697 -127.093 PRESSAVG: 834200 -5.43547 15.8179 39.9491 15.8179 50.1273 -16.7324 39.9491 -16.7325 16.1675 GPRESSAVG: 834200 -5.7532 13.0962 38.9508 18.4415 51.2743 -16.5298 38.1288 -15.1021 15.3563 TIMING: 834200 CPU: 2505.18, 0.00300908/step Wall: 2505.18, 0.00300908/step, 3.48201 hours remaining, 207.652344 MB of memory in use. ENERGY: 834200 745.7799 2034.7972 1909.2044 96.5034 -206683.5098 17907.7325 0.0000 0.0000 34203.1834 -149786.3090 298.7049 -183989.4924 -149684.5844 297.8504 -35.9308 -5.6664 556330.0842 20.2864 20.2925 PRESSURE: 834400 6.7188 -12.1536 84.3241 -12.1526 105.486 -126.96 84.3237 -126.96 -6.21746 GPRESSURE: 834400 34.6835 -26.7901 72.5656 -31.4291 148.062 -123.17 62.875 -127.306 17.6786 PRESSAVG: 834400 -6.70242 -28.4797 25.7503 -28.4796 33.4786 -66.3651 25.7504 -66.3652 -20.0056 GPRESSAVG: 834400 -4.95374 -27.5701 26.0301 -29.5703 32.2605 -66.016 29.2372 -67.8053 -20.5789 TIMING: 834400 CPU: 2505.78, 0.00299763/step Wall: 2505.78, 0.00299763/step, 3.46859 hours remaining, 207.652344 MB of memory in use. ENERGY: 834400 770.6203 2069.3304 1919.9018 104.2710 -206889.2422 17991.2209 0.0000 0.0000 34119.5742 -149914.3236 297.9747 -184033.8978 -149823.0841 297.8398 35.3290 66.8081 557406.2828 2.2569 2.2426 PRESSURE: 834600 -301.689 41.8797 30.6282 41.88 -211.857 -73.6742 30.6268 -73.675 -130.722 GPRESSURE: 834600 -316.261 106.461 -42.9505 26.8512 -155.043 -23.5554 36.3246 -63.8755 -71.6338 PRESSAVG: 834600 -52.4186 -2.60445 30.5486 -2.60436 23.758 -16.439 30.5486 -16.4391 9.90055 GPRESSAVG: 834600 -52.7474 -1.07507 30.8405 -2.87792 22.3542 -15.1076 28.3217 -18.4415 11.0891 TIMING: 834600 CPU: 2506.38, 0.00299825/step Wall: 2506.38, 0.00299824/step, 3.46914 hours remaining, 207.652344 MB of memory in use. ENERGY: 834600 767.8001 2119.7553 1911.3229 115.1698 -206302.9949 17605.8769 0.0000 0.0000 33985.4614 -149797.6084 296.8035 -183783.0699 -149696.1731 297.2187 -214.7558 -180.9794 558236.6566 -6.2534 -6.4347 PRESSURE: 834800 80.5336 -8.66177 -95.5738 -8.66278 -12.5549 -35.1619 -95.5735 -35.161 141.341 GPRESSURE: 834800 74.1634 -77.5504 -45.0692 48.1812 -26.1088 -84.9301 -93.3763 3.89152 249.868 PRESSAVG: 834800 0.882762 32.2854 -31.7682 32.2854 -60.0828 -28.5077 -31.7681 -28.5076 49.456 GPRESSAVG: 834800 -0.783029 31.7141 -32.6375 31.674 -56.6936 -31.3223 -31.3347 -26.2968 47.9665 TIMING: 834800 CPU: 2506.98, 0.00299612/step Wall: 2506.98, 0.00299612/step, 3.46651 hours remaining, 207.652344 MB of memory in use. ENERGY: 834800 753.5178 2123.4828 1905.3795 104.7468 -206911.5620 18085.9799 0.0000 0.0000 34253.9321 -149684.5231 299.1481 -183938.4552 -149593.6883 298.1169 69.7732 99.3077 557736.0337 -3.2480 -3.1701 PRESSURE: 835000 -532.402 16.4548 -44.3903 16.456 -142.123 -50.7205 -44.389 -50.7207 -116.955 GPRESSURE: 835000 -480.219 -22.9093 65.7803 51.3228 -97.0858 -6.1966 -131.29 -129.245 -99.787 PRESSAVG: 835000 -46.2258 39.075 -41.8523 39.0751 -3.85171 -10.9685 -41.8522 -10.9686 63.8658 GPRESSAVG: 835000 -45.52 39.4831 -40.4974 38.699 -4.38643 -8.5041 -42.4381 -11.1514 64.4137 TIMING: 835000 CPU: 2507.57, 0.00296806/step Wall: 2507.57, 0.00296806/step, 3.43388 hours remaining, 207.652344 MB of memory in use. ENERGY: 835000 751.4582 2085.6141 1912.2213 123.6324 -206097.4702 17391.7461 0.0000 0.0000 34235.3849 -149597.4131 298.9861 -183832.7980 -149503.8245 298.3079 -263.8264 -225.6971 556894.9176 4.5961 4.8358 PRESSURE: 835200 142.049 -49.8183 -201.002 -49.8177 -289.55 115.907 -201.002 115.909 -116.422 GPRESSURE: 835200 206.314 -14.5549 -289.119 -37.1947 -240.57 200.217 -103.857 29.0912 -126.362 PRESSAVG: 835200 -49.4284 0.439719 67.2431 0.439705 38.7239 -66.6862 67.2431 -66.6861 4.12745 GPRESSAVG: 835200 -49.7952 -0.29152 65.5351 0.238145 38.9798 -67.8963 69.7501 -65.3407 4.54014 TIMING: 835200 CPU: 2508.17, 0.00297252/step Wall: 2508.17, 0.00297252/step, 3.43887 hours remaining, 207.652344 MB of memory in use. ENERGY: 835200 737.0649 2108.0883 1935.3076 98.6096 -206762.4044 17875.4398 0.0000 0.0000 34337.8855 -149670.0086 299.8813 -184007.8942 -149574.1340 298.5754 -87.9742 -53.5394 556464.6278 -2.1923 -2.0918 PRESSURE: 835400 -106.255 53.4161 123.928 53.4142 74.4313 86.1967 123.928 86.1971 -240.523 GPRESSURE: 835400 -121.547 32.2616 89.3538 114.03 86.8749 88.1349 112.933 83.949 -153.486 PRESSAVG: 835400 -15.781 41.5046 60.2354 41.5047 31.1916 -4.53743 60.2355 -4.53739 -49.5279 GPRESSAVG: 835400 -16.9563 42.6307 58.8437 42.3515 31.0995 -3.79627 59.0338 -7.52631 -48.7201 TIMING: 835400 CPU: 2508.76, 0.00298215/step Wall: 2508.76, 0.00298215/step, 3.44985 hours remaining, 207.652344 MB of memory in use. ENERGY: 835400 764.3190 2129.7971 1906.2347 112.0959 -206743.8500 17980.5162 0.0000 0.0000 34262.2868 -149588.6002 299.2211 -183850.8871 -149484.1920 298.3298 -90.7822 -62.7194 557610.4837 -11.3724 -11.5256 PRESSURE: 835600 223.071 174.02 -74.0679 174.02 -170.303 21.9459 -74.066 21.9446 -77.6254 GPRESSURE: 835600 252.381 239.973 -94.8991 129.826 -130.531 119.557 -43.8207 39.8286 -54.5808 PRESSAVG: 835600 -37.3507 34.1776 -17.0465 34.1776 -11.5146 -12.9765 -17.0464 -12.9765 37.4843 GPRESSAVG: 835600 -36.0513 33.468 -13.405 34.3267 -11.9109 -12.6567 -18.3851 -9.38081 36.7098 TIMING: 835600 CPU: 2509.36, 0.00297629/step Wall: 2509.36, 0.00297629/step, 3.4429 hours remaining, 207.652344 MB of memory in use. ENERGY: 835600 743.6333 2119.0718 1911.3790 106.8265 -206467.9374 17947.7040 0.0000 0.0000 33994.8398 -149644.4832 296.8854 -183639.3230 -149550.5530 298.1792 -8.2860 22.4229 557814.6312 -3.7937 -3.7508 PRESSURE: 835800 -181.338 41.349 62.1839 41.3496 -369.312 140.647 62.1841 140.646 51.4275 GPRESSURE: 835800 -182.498 58.3924 79.343 41.0049 -288.47 108.154 -3.84575 160.966 56.5723 PRESSAVG: 835800 24.6686 32.858 18.2174 32.8579 -30.2084 -23.6903 18.2174 -23.6903 11.6624 GPRESSAVG: 835800 24.7457 30.6598 17.1727 33.061 -30.8419 -25.0152 19.8226 -24.8441 11.877 TIMING: 835800 CPU: 2509.95, 0.00298086/step Wall: 2509.95, 0.00298086/step, 3.44802 hours remaining, 207.652344 MB of memory in use. ENERGY: 835800 724.9905 2106.5094 1954.8672 109.0412 -206178.4528 17574.2792 0.0000 0.0000 34081.1728 -149627.5925 297.6394 -183708.7654 -149528.4830 298.1190 -166.4074 -138.1319 557919.7337 2.0409 1.9269 PRESSURE: 836000 90.5154 -159.573 -73.6984 -159.573 -120.195 189.284 -73.6996 189.286 -116.798 GPRESSURE: 836000 137.195 -192.095 -28.2337 -150.251 -80.8392 268.708 -100.345 103.792 -94.6745 PRESSAVG: 836000 -33.3699 -24.1648 -33.2582 -24.1648 17.2619 35.9141 -33.2581 35.9141 61.388 GPRESSAVG: 836000 -33.141 -21.7107 -32.4389 -24.8109 16.726 36.5188 -33.7988 33.0097 61.5037 TIMING: 836000 CPU: 2510.55, 0.00300156/step Wall: 2510.55, 0.00300156/step, 3.4718 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: 836000 741.7697 2123.7715 1927.3273 113.2568 -206551.7523 17785.3862 0.0000 0.0000 34234.0246 -149626.2162 298.9743 -183860.2408 -149530.2519 298.2288 -48.8258 -12.7729 557667.2350 15.0933 15.0296 PRESSURE: 836200 -1.77391 -5.34825 162.957 -5.34829 143.776 -7.09634 162.959 -7.09576 -70.034 GPRESSURE: 836200 40.7938 21.1249 151.49 28.4377 172.845 -39.485 176.485 -35.4443 -38.0664 PRESSAVG: 836200 -45.9789 0.207778 33.9985 0.207809 37.7879 -0.705018 33.9985 -0.705057 -15.6506 GPRESSAVG: 836200 -46.8367 0.338669 32.898 -0.655645 38.9414 -2.37759 34.224 -0.147407 -16.0871 TIMING: 836200 CPU: 2511.16, 0.00304264/step Wall: 2511.16, 0.00304264/step, 3.51916 hours remaining, 207.652344 MB of memory in use. ENERGY: 836200 770.2244 2042.3859 1928.9931 115.5087 -206419.6172 17886.0860 0.0000 0.0000 34217.0230 -149459.3961 298.8258 -183676.4191 -149369.9568 299.1411 23.9893 58.5240 557398.8968 -7.9472 -7.9941 LDB: ============= START OF LOAD BALANCING ============== 2514.68 LDB: ============== END OF LOAD BALANCING =============== 2514.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2514.68 LDB: ============= START OF LOAD BALANCING ============== 2514.98 LDB: Largest compute 4800 load 0.028885 is 24.5% of average load 0.117914 LDB: Average compute 0.001737 is 1.5% of average load 0.117914 LDB: TIME 2514.98 LOAD: AVG 0.117914 MAX 0.203176 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209 MB LDB: TIME 2514.98 LOAD: AVG 0.117914 MAX 0.203176 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.031 MB LDB: TIME 2514.98 LOAD: AVG 0.117914 MAX 0.203176 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.031 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2514.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2514.99 PRESSURE: 836400 -112.781 140.74 14.3601 140.74 -72.6311 -95.1386 14.3604 -95.1392 -237.641 GPRESSURE: 836400 -56.9033 124.013 38.0329 183.338 -78.2245 -66.8008 37.4706 -66.6742 -190.475 PRESSAVG: 836400 -58.4115 -40.8304 47.6241 -40.8304 40.216 -12.2571 47.6241 -12.2571 23.2486 GPRESSAVG: 836400 -57.9603 -40.236 48.2021 -39.2805 39.053 -11.4954 45.3847 -11.3125 23.5493 TIMING: 836400 CPU: 2511.77, 0.00303706/step Wall: 2511.77, 0.00303706/step, 3.51253 hours remaining, 209.183594 MB of memory in use. ENERGY: 836400 751.7687 2100.3120 1929.2150 111.4637 -206363.6611 17756.0883 0.0000 0.0000 34360.4715 -149354.3419 300.0785 -183714.8134 -149256.6571 299.0138 -141.0176 -108.5343 558635.7638 1.6844 1.5473 PRESSURE: 836600 172.021 56.9101 -129.169 56.9096 34.1783 66.9129 -129.169 66.9148 62.9018 GPRESSURE: 836600 174.486 91.6951 -201.3 109.744 55.8745 -23.7911 -72.5913 86.5133 135.131 PRESSAVG: 836600 1.48843 33.2543 14.0742 33.2544 14.8987 -9.37384 14.0742 -9.37377 9.98274 GPRESSAVG: 836600 1.38345 31.7684 15.4165 31.7315 14.9686 -10.7711 15.9148 -9.18321 9.70085 TIMING: 836600 CPU: 2512.37, 0.00298329/step Wall: 2512.37, 0.00298329/step, 3.45018 hours remaining, 209.328125 MB of memory in use. ENERGY: 836600 736.7454 2061.1680 1914.4006 123.2898 -206753.6828 18023.7642 0.0000 0.0000 34288.6159 -149605.6989 299.4510 -183894.3147 -149507.0269 298.8972 89.7004 121.8305 557591.1615 8.7900 8.6843 PRESSURE: 836800 91.543 37.1508 -8.85747 37.1501 115.515 -110.392 -8.85548 -110.394 414.367 GPRESSURE: 836800 149.134 48.9812 14.409 -1.28888 192.853 -108.008 50.307 -76.5728 381.849 PRESSAVG: 836800 16.3127 56.1608 1.11821 56.1609 15.2737 0.394442 1.11826 0.394311 -25.1691 GPRESSAVG: 836800 15.3326 56.1979 1.81202 57.1406 16.6327 2.00957 1.49978 0.156164 -25.5797 TIMING: 836800 CPU: 2512.96, 0.00297709/step Wall: 2512.96, 0.00297709/step, 3.44284 hours remaining, 209.328125 MB of memory in use. ENERGY: 836800 722.4759 2039.2971 1887.7547 110.5890 -206546.0410 18062.3415 0.0000 0.0000 34233.3278 -149490.2551 298.9682 -183723.5829 -149395.5184 298.1500 207.1418 241.2786 556508.9227 2.1391 2.1285 PRESSURE: 837000 -19.6701 -44.8806 -18.807 -44.8811 31.2431 7.17487 -18.8061 7.17454 3.9864 GPRESSURE: 837000 93.2891 25.6097 -3.98451 -98.8898 1.61701 44.0695 62.013 6.83244 30.2819 PRESSAVG: 837000 -44.9145 48.0749 53.3281 48.075 -4.78527 -48.2009 53.3282 -48.2008 65.5556 GPRESSAVG: 837000 -45.1881 48.2986 53.7551 48.9121 -5.08373 -47.5934 51.4968 -47.956 65.9636 TIMING: 837000 CPU: 2513.56, 0.00297878/step Wall: 2513.56, 0.00297878/step, 3.44463 hours remaining, 209.328125 MB of memory in use. ENERGY: 837000 741.4074 2123.3361 1902.5431 95.4506 -206376.6887 17848.4764 0.0000 0.0000 34303.0109 -149362.4642 299.5767 -183665.4751 -149273.8161 298.2777 5.1865 41.7294 557791.8559 5.2853 5.2306 PRESSURE: 837200 -331.204 -18.1145 41.1299 -18.1153 -57.0547 -41.19 41.1292 -41.1898 -302.523 GPRESSURE: 837200 -257.747 -48.5794 34.7806 -11.5249 -63.6433 -3.02059 47.4383 -106.146 -274.608 PRESSAVG: 837200 -43.5223 -28.5773 32.141 -28.5773 43.6948 -94.1584 32.1409 -94.1584 10.8009 GPRESSAVG: 837200 -42.8434 -27.2359 30.0539 -30.6605 42.6112 -96.1427 34.4139 -94.0394 11.2829 TIMING: 837200 CPU: 2514.15, 0.00298784/step Wall: 2514.15, 0.00298784/step, 3.45494 hours remaining, 209.328125 MB of memory in use. ENERGY: 837200 765.7106 2058.4633 1915.5767 117.8955 -205861.0470 17448.4130 0.0000 0.0000 34216.9886 -149337.9993 298.8255 -183554.9879 -149240.5604 298.9280 -230.2606 -198.6662 557577.6873 3.6578 3.6835 PRESSURE: 837400 -106.942 -4.12558 -80.4215 -4.12447 -187.878 138.803 -80.4212 138.803 -156.715 GPRESSURE: 837400 -105.462 -62.4499 -158.623 -46.4233 -190.711 100.226 -31.2882 142.091 -68.4248 PRESSAVG: 837400 32.0233 -35.2251 23.2883 -35.225 14.186 -48.7933 23.2883 -48.7934 -19.8133 GPRESSAVG: 837400 30.7424 -36.3949 24.1098 -34.9555 14.9118 -47.6648 23.0374 -48.9516 -19.5806 TIMING: 837400 CPU: 2514.75, 0.00298946/step Wall: 2514.75, 0.00298946/step, 3.45664 hours remaining, 209.328125 MB of memory in use. ENERGY: 837400 764.9230 2118.2302 1912.9420 116.1343 -205883.1012 17488.2302 0.0000 0.0000 34226.6943 -149255.9471 298.9102 -183482.6414 -149158.6894 299.0690 -150.5119 -121.5327 557929.1917 8.7986 8.6912 PRESSURE: 837600 -230.185 -123.201 249.395 -123.201 -149.806 -32.3041 249.395 -32.3039 -6.87453 GPRESSURE: 837600 -245.447 -169.523 218.011 -81.4687 -132.229 -69.4249 180.869 7.19018 93.5446 PRESSAVG: 837600 -46.8313 -7.29973 -11.3843 -7.29969 1.15 20.0123 -11.3844 20.0123 31.7403 GPRESSAVG: 837600 -45.9578 -8.33711 -12.7947 -4.46638 0.387744 20.9898 -12.1038 19.5947 31.5191 TIMING: 837600 CPU: 2515.35, 0.00299078/step Wall: 2515.35, 0.00299078/step, 3.45801 hours remaining, 209.328125 MB of memory in use. ENERGY: 837600 784.4732 2044.3286 1920.1305 115.6224 -206027.6029 17605.9095 0.0000 0.0000 34243.3655 -149313.7732 299.0558 -183557.1387 -149211.5290 299.1611 -128.9550 -94.7107 558050.2766 -4.6470 -4.6836 PRESSURE: 837800 -222.461 31.0192 -174.124 31.0202 6.76653 -59.0651 -174.123 -59.0641 100.977 GPRESSURE: 837800 -153.523 -14.6023 -194.676 55.6988 0.677019 -49.7321 -169.49 -53.5809 141.328 PRESSAVG: 837800 -53.3949 38.8652 -15.3721 38.8653 -13.1659 -5.07923 -15.3721 -5.07923 35.063 GPRESSAVG: 837800 -53.9909 39.5905 -14.9269 37.4007 -13.0514 -6.22308 -14.8318 -4.57778 34.8919 TIMING: 837800 CPU: 2515.95, 0.00298752/step Wall: 2515.95, 0.00298752/step, 3.45407 hours remaining, 209.328125 MB of memory in use. ENERGY: 837800 748.7371 2055.4459 1883.0169 118.7625 -206211.7356 17886.4184 0.0000 0.0000 34164.7093 -149354.6455 298.3689 -183519.3548 -149263.1238 298.9987 -38.2392 -3.8391 557991.5385 -10.4992 -10.7168 PRESSURE: 838000 18.8785 66.1915 -159.403 66.1898 -205.404 79.281 -159.403 79.2806 -35.3692 GPRESSURE: 838000 42.2767 0.444823 -142.008 36.6885 -138.337 58.3936 -134.213 91.9656 -20.6061 PRESSAVG: 838000 2.03657 47.3891 15.7986 47.3891 -27.271 -18.4601 15.7986 -18.4602 -14.1277 GPRESSAVG: 838000 2.77902 49.4071 15.9216 47.4241 -27.2691 -18.3351 15.3899 -18.7215 -14.7317 TIMING: 838000 CPU: 2516.55, 0.00299675/step Wall: 2516.55, 0.00299675/step, 3.46457 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: 838000 739.7722 2096.1864 1926.8025 116.2006 -206207.9577 17721.9756 0.0000 0.0000 34123.8304 -149483.1900 298.0119 -183607.0204 -149393.1538 298.8627 -73.9649 -38.8890 558218.0547 -13.1207 -13.0739 PRESSURE: 838200 -202.613 -44.9725 -61.5426 -44.9723 -169.002 -46.9718 -61.5433 -46.9721 11.6386 GPRESSURE: 838200 -139.951 -3.64743 -17.6023 -47.9644 -99.8474 -6.3387 -104.948 -79.1023 -29.0309 PRESSAVG: 838200 1.23927 93.3241 -60.1749 93.324 -52.5496 -18.4452 -60.1749 -18.4452 42.8761 GPRESSAVG: 838200 -0.161014 92.1094 -59.4648 93.9448 -51.7491 -18.2397 -60.2093 -18.1705 43.9944 TIMING: 838200 CPU: 2517.15, 0.0029998/step Wall: 2517.15, 0.0029998/step, 3.46794 hours remaining, 209.328125 MB of memory in use. ENERGY: 838200 750.2265 2111.5845 1909.8679 106.0249 -206224.2413 17647.3147 0.0000 0.0000 34161.2063 -149538.0165 298.3383 -183699.2228 -149440.2881 298.8406 -119.9919 -89.6098 557574.0353 -2.8114 -2.6385 PRESSURE: 838400 77.5893 101.089 132.569 101.089 105.726 142.625 132.568 142.626 129.702 GPRESSURE: 838400 143.047 142.25 66.8722 25.243 77.18 127.004 79.4881 106.395 180.879 PRESSAVG: 838400 -57.2208 30.7245 25.1789 30.7245 46.7864 -29.3385 25.1789 -29.3385 9.33788 GPRESSAVG: 838400 -56.2768 28.4513 23.6269 30.3944 46.1563 -28.8727 26.3505 -31.6555 8.72651 TIMING: 838400 CPU: 2517.75, 0.00302239/step Wall: 2517.75, 0.00302239/step, 3.49388 hours remaining, 209.328125 MB of memory in use. ENERGY: 838400 743.5327 2143.3186 1922.7318 116.6337 -206451.0782 17895.0512 0.0000 0.0000 34159.3280 -149470.4823 298.3219 -183629.8102 -149381.2802 298.1616 104.3393 133.7021 555911.8042 -0.3655 -0.4647 PRESSURE: 838600 -161.986 -51.1075 -56.1343 -51.1069 -203.634 -69.8586 -56.1344 -69.8592 -27.6875 GPRESSURE: 838600 -93.6182 -33.8312 -100.978 23.6197 -146.308 -142.915 -28.477 -102.636 -48.142 PRESSAVG: 838600 -22.9857 33.6126 -23.1656 33.6127 40.16 -6.52876 -23.1656 -6.52868 28.8912 GPRESSAVG: 838600 -23.3669 35.9024 -21.8307 34.001 40.2729 -7.41437 -24.527 -6.99008 29.0851 TIMING: 838600 CPU: 2518.35, 0.00301274/step Wall: 2518.35, 0.00301274/step, 3.48256 hours remaining, 209.328125 MB of memory in use. ENERGY: 838600 725.6992 2072.6321 1930.7597 105.0121 -205894.7963 17569.2845 0.0000 0.0000 34141.7417 -149349.6669 298.1683 -183491.4086 -149251.1907 298.7546 -131.1025 -96.0229 557569.9162 15.3552 15.3304 PRESSURE: 838800 -160.445 299.136 165.518 299.136 84.0226 78.5967 165.518 78.5974 -176.144 GPRESSURE: 838800 -110.657 330.741 167.568 304.463 95.5748 106.126 120.785 73.9137 -124.691 PRESSAVG: 838800 -39.6026 -3.43118 68.4334 -3.43113 48.0163 -53.5739 68.4334 -53.5738 15.0375 GPRESSAVG: 838800 -39.1479 -3.16457 69.7975 -3.78427 48.3442 -51.9001 68.5964 -50.8625 14.5943 TIMING: 838800 CPU: 2518.95, 0.00299807/step Wall: 2518.95, 0.00299807/step, 3.46543 hours remaining, 209.328125 MB of memory in use. ENERGY: 838800 799.5497 2116.2431 1911.1349 97.4618 -206648.4583 18064.5048 0.0000 0.0000 34271.5715 -149387.9925 299.3022 -183659.5640 -149290.8024 299.4493 -84.1888 -46.5911 557667.5614 7.8171 7.9302 PRESSURE: 839000 218.387 146.971 63.4915 146.972 203.46 -123.386 63.4913 -123.389 400.602 GPRESSURE: 839000 280.194 200.96 25.8131 124.68 301.415 -92.7537 94.3349 -152.488 323.819 PRESSAVG: 839000 29.4038 53.8896 -19.1655 53.8896 44.5978 -69.1871 -19.1654 -69.187 -64.2252 GPRESSAVG: 839000 29.6282 54.0123 -21.0464 51.1625 45.5061 -71.7994 -17.2377 -69.2186 -65.7265 TIMING: 839000 CPU: 2519.55, 0.00299934/step Wall: 2519.55, 0.00299934/step, 3.46674 hours remaining, 209.328125 MB of memory in use. ENERGY: 839000 744.7988 2120.2137 1939.2724 120.8532 -206948.2025 18288.1186 0.0000 0.0000 34239.2069 -149495.7390 299.0195 -183734.9459 -149398.8887 298.5162 274.1497 301.8093 555693.7785 3.2588 3.1360 PRESSURE: 839200 -256.489 -135.884 53.399 -135.884 -165.417 91.3428 53.3975 91.3424 -62.6163 GPRESSURE: 839200 -269.193 -98.3239 6.58546 -113.58 -77.0453 66.14 21.28 92.9573 -44.3487 PRESSAVG: 839200 43.3563 -15.5521 20.174 -15.552 -29.7072 -20.2926 20.1739 -20.2927 20.2834 GPRESSAVG: 839200 43.5549 -16.1926 21.8027 -14.5349 -30.981 -21.2012 17.2318 -19.9314 21.0156 TIMING: 839200 CPU: 2520.16, 0.00301275/step Wall: 2520.16, 0.00301275/step, 3.48207 hours remaining, 209.328125 MB of memory in use. ENERGY: 839200 747.3826 2132.6025 1906.6629 100.6194 -206108.6468 17448.9892 0.0000 0.0000 34340.0735 -149432.3169 299.9004 -183772.3904 -149342.8903 298.2749 -161.5074 -130.1957 555124.7653 11.3108 11.1965 PRESSURE: 839400 49.3866 -88.3124 -34.1245 -88.3145 -147.339 -100.393 -34.1254 -100.393 -1.47201 GPRESSURE: 839400 122.977 -135.818 -39.9446 -133.88 -88.9713 -1.36696 -22.5324 -61.1844 -28.167 PRESSAVG: 839400 -28.7074 4.88513 23.1254 4.88508 32.5626 22.0413 23.1254 22.0414 -15.9936 GPRESSAVG: 839400 -29.1161 3.89671 20.6991 5.66655 32.1476 23.1328 26.5801 21.1715 -15.0208 TIMING: 839400 CPU: 2520.76, 0.00299338/step Wall: 2520.76, 0.00299338/step, 3.45952 hours remaining, 209.328125 MB of memory in use. ENERGY: 839400 691.7839 2123.1617 1914.4087 108.4755 -206017.9163 17502.9844 0.0000 0.0000 34215.8868 -149461.2153 298.8158 -183677.1021 -149363.4375 298.5339 -33.1414 1.9462 555193.7436 -4.0461 -3.9965 PRESSURE: 839600 111.627 -15.8968 249.162 -15.8977 1.79355 81.2699 249.162 81.2692 104.954 GPRESSURE: 839600 133.032 -60.853 134.151 38.653 15.5515 72.9565 271.214 50.4985 164.606 PRESSAVG: 839600 -27.7347 -11.3271 29.6397 -11.3272 37.9421 -26.7495 29.6397 -26.7496 12.7821 GPRESSAVG: 839600 -27.8629 -11.543 31.4301 -10.7717 38.8356 -24.945 27.6887 -28.6769 11.6162 TIMING: 839600 CPU: 2521.35, 0.00299426/step Wall: 2521.35, 0.00299426/step, 3.46037 hours remaining, 209.328125 MB of memory in use. ENERGY: 839600 721.4724 2069.2448 1933.0957 95.6593 -206367.7841 17850.1638 0.0000 0.0000 34285.1057 -149413.0424 299.4204 -183698.1481 -149312.4443 298.6192 72.7915 104.3965 555269.7794 7.6632 7.5297 PRESSURE: 839800 163.496 15.1847 -129.545 15.1832 -77.9526 107.852 -129.544 107.853 37.2813 GPRESSURE: 839800 148.903 -35.1562 -135.713 65.7064 -75.2991 120.305 -30.6944 62.1661 131.148 PRESSAVG: 839800 13.1537 -58.4823 39.3295 -58.4822 1.45887 15.6098 39.3295 15.6098 -21.2457 GPRESSAVG: 839800 13.2812 -59.3033 38.4964 -58.2298 1.21225 14.136 40.5332 17.9548 -21.4243 TIMING: 839800 CPU: 2521.95, 0.00299498/step Wall: 2521.95, 0.00299498/step, 3.46103 hours remaining, 209.328125 MB of memory in use. ENERGY: 839800 744.4242 2186.5991 1932.7967 99.0320 -206145.1636 17833.3539 0.0000 0.0000 34200.6823 -149148.2755 298.6831 -183348.9578 -149050.2032 298.8361 40.9414 68.2505 558829.4082 -2.2111 -2.3103 PRESSURE: 840000 195.473 -110.596 29.165 -110.596 219.352 -88.845 29.1649 -88.8443 -164.805 GPRESSURE: 840000 196.457 -57.5798 36.6605 -148.13 249.329 -125.369 38.8958 -62.7231 -87.0961 PRESSAVG: 840000 39.1421 -10.01 13.5403 -10.0099 -15.648 -22.9463 13.5403 -22.9464 -23.0213 GPRESSAVG: 840000 39.6678 -8.75539 14.1535 -10.4894 -15.9077 -21.4333 12.7471 -22.9794 -23.2235 TIMING: 840000 CPU: 2522.55, 0.00296727/step Wall: 2522.55, 0.00296727/step, 3.42885 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: 840000 719.5548 2153.5658 1906.2816 112.1563 -206322.3366 18016.5645 0.0000 0.0000 34193.3442 -149220.8693 298.6190 -183414.2135 -149128.9078 299.1216 83.3401 119.5632 557433.3699 0.1576 0.1789 PRESSURE: 840200 68.122 57.3487 71.0965 57.3498 151.366 129.812 71.0965 129.81 -68.7386 GPRESSURE: 840200 121.807 57.81 124.906 121.918 130.711 28.6953 57.1264 137.387 -11.2727 PRESSAVG: 840200 44.5493 17.6093 21.7099 17.6092 16.6816 -36.9392 21.71 -36.9392 -32.6657 GPRESSAVG: 840200 43.117 17.1356 21.4463 17.7182 16.0961 -39.807 22.0907 -35.9136 -31.0943 TIMING: 840200 CPU: 2523.15, 0.00300006/step Wall: 2523.15, 0.00300006/step, 3.46656 hours remaining, 209.328125 MB of memory in use. ENERGY: 840200 747.9422 2091.6385 1907.5685 111.6716 -206284.8107 17823.7070 0.0000 0.0000 34138.0956 -149464.1873 298.1365 -183602.2829 -149368.3934 298.7218 50.2499 80.4151 555937.4867 9.5217 9.3729 LDB: ============= START OF LOAD BALANCING ============== 2526.67 LDB: ============== END OF LOAD BALANCING =============== 2526.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2526.67 LDB: ============= START OF LOAD BALANCING ============== 2526.97 LDB: Largest compute 4800 load 0.028982 is 24.6% of average load 0.117868 LDB: Average compute 0.001741 is 1.5% of average load 0.117868 LDB: TIME 2526.97 LOAD: AVG 0.117868 MAX 0.209436 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.902 MB LDB: TIME 2526.97 LOAD: AVG 0.117868 MAX 0.209436 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.902 MB LDB: TIME 2526.97 LOAD: AVG 0.117868 MAX 0.209436 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.902 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2526.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2526.98 PRESSURE: 840400 73.0598 -17.8926 182.023 -17.8921 -13.3436 -53.8832 182.022 -53.8822 16.7019 GPRESSURE: 840400 116.887 -7.37176 73.0513 -79.104 -19.2418 19.2103 209.436 -108.026 76.3701 PRESSAVG: 840400 -39.4361 24.2033 -33.4448 24.2032 0.43703 -24.9343 -33.4447 -24.9343 59.3082 GPRESSAVG: 840400 -39.2212 23.6771 -33.6692 23.9747 2.28118 -23.483 -32.157 -26.5273 57.4145 TIMING: 840400 CPU: 2523.76, 0.00307885/step Wall: 2523.76, 0.00307885/step, 3.55744 hours remaining, 207.652344 MB of memory in use. ENERGY: 840400 696.5326 2110.1588 1920.2685 101.5805 -206164.6799 17744.3950 0.0000 0.0000 34047.8114 -149543.9331 297.3480 -183591.7445 -149453.1404 298.9012 25.4727 58.0050 558034.6234 6.7697 6.8248 PRESSURE: 840600 151.197 138.997 64.3764 138.997 314.401 -145.964 64.3751 -145.963 205.174 GPRESSURE: 840600 184.275 82.0823 138.847 165.873 342.778 -5.59452 68.3295 -132.865 235.005 PRESSAVG: 840600 3.26629 58.625 -21.0203 58.6251 -7.07131 -55.8567 -21.0202 -55.8568 19.1328 GPRESSAVG: 840600 4.81772 60.4159 -19.648 59.0758 -8.24623 -54.9476 -23.0188 -55.218 18.8558 TIMING: 840600 CPU: 2524.37, 0.00302205/step Wall: 2524.37, 0.00302205/step, 3.49164 hours remaining, 207.855469 MB of memory in use. ENERGY: 840600 721.4040 2068.2736 1927.2103 109.2542 -206616.4686 18166.1403 0.0000 0.0000 34245.9394 -149378.2468 299.0783 -183624.1861 -149287.4117 298.8647 223.5906 254.0193 556411.2330 5.1093 5.1424 PRESSURE: 840800 107.91 -107.076 -51.4956 -107.076 -236.715 -97.5204 -51.4967 -97.52 106.472 GPRESSURE: 840800 116.585 -114.355 -69.177 -114.777 -207.472 -135.982 -35.2622 -111.397 171.619 PRESSAVG: 840800 49.9187 15.4517 -42.2337 15.4518 -34.4081 -66.4782 -42.2337 -66.4783 -12.1499 GPRESSAVG: 840800 49.3034 16.559 -45.5131 12.6809 -34.584 -68.3792 -41.3365 -65.6773 -12.0707 TIMING: 840800 CPU: 2524.97, 0.00301467/step Wall: 2524.97, 0.00301467/step, 3.48295 hours remaining, 207.855469 MB of memory in use. ENERGY: 840800 712.5626 2055.6022 1942.7730 98.2477 -206446.9088 17941.3898 0.0000 0.0000 34498.5911 -149197.7423 301.2848 -183696.3335 -149102.3903 299.1758 -7.4447 26.9108 556938.4884 1.1202 0.8829 PRESSURE: 841000 -105.949 -102.974 48.0228 -102.974 -132.519 104.944 48.0224 104.945 98.0994 GPRESSURE: 841000 -66.1689 -86.0678 139.024 -236.957 -97.0055 173.185 -27.9935 117.298 130.186 PRESSAVG: 841000 18.0326 -35.0692 -27.8711 -35.0693 13.7292 -9.15236 -27.8711 -9.15235 -23.7609 GPRESSAVG: 841000 17.6445 -36.158 -27.0003 -33.4146 13.3705 -7.1687 -30.1856 -10.4374 -23.1018 TIMING: 841000 CPU: 2525.57, 0.00299658/step Wall: 2525.57, 0.00299658/step, 3.46188 hours remaining, 207.855469 MB of memory in use. ENERGY: 841000 751.6339 2087.2184 1956.6734 124.0931 -206151.0855 17818.3230 0.0000 0.0000 34338.2588 -149074.8850 299.8846 -183413.1438 -148974.1902 299.0384 -46.7895 -10.9962 558179.0488 2.6669 2.6377 PRESSURE: 841200 167.877 -18.8505 -16.3458 -18.8503 143.779 -141.59 -16.346 -141.59 285.785 GPRESSURE: 841200 191.901 67.3226 53.3235 -194.876 152.274 -128.395 -49.8569 -134.066 356.479 PRESSAVG: 841200 41.9323 17.288 15.704 17.288 -27.5187 4.91183 15.7042 4.91183 -5.26988 GPRESSAVG: 841200 41.5179 16.6583 18.1851 18.5922 -26.5104 2.9628 15.7971 4.88458 -5.97315 TIMING: 841200 CPU: 2526.17, 0.00299816/step Wall: 2526.17, 0.00299816/step, 3.46354 hours remaining, 207.855469 MB of memory in use. ENERGY: 841200 739.2634 2091.4529 1926.6018 110.3076 -206412.8243 18011.6710 0.0000 0.0000 34392.3066 -149141.2211 300.3566 -183533.5276 -149039.2528 300.0885 199.1472 233.5509 556007.8244 3.0479 3.0114 PRESSURE: 841400 9.10444 138.618 -213.4 138.618 -240.557 67.9774 -213.398 67.978 -388.229 GPRESSURE: 841400 98.3975 195.747 -178.755 87.216 -270.662 64.9571 -157.228 58.3764 -351.882 PRESSAVG: 841400 56.9839 44.628 46.3708 44.628 -9.35452 16.8639 46.3707 16.8638 -14.0761 GPRESSAVG: 841400 57.8858 43.255 43.6939 43.4042 -10.8614 17.4753 49.0013 15.8553 -13.3737 TIMING: 841400 CPU: 2526.78, 0.0030325/step Wall: 2526.78, 0.0030325/step, 3.50305 hours remaining, 207.855469 MB of memory in use. ENERGY: 841400 764.1916 2102.9643 1929.9479 100.2964 -206364.9934 17622.6935 0.0000 0.0000 34552.4597 -149292.4400 301.7552 -183844.8997 -149196.1520 300.1775 -206.5605 -174.7155 557122.4355 11.1844 11.2169 PRESSURE: 841600 87.3341 -55.2928 -0.348024 -55.2939 -188.364 -152.309 -0.347914 -152.31 -174.634 GPRESSURE: 841600 115.86 -17.9899 -20.5927 -68.6557 -170.246 -128.149 68.3177 -79.0727 -107.848 PRESSAVG: 841600 101.436 2.5383 68.5922 2.53838 20.1887 14.9251 68.5922 14.925 -120.252 GPRESSAVG: 841600 101.07 3.4475 71.4631 2.6651 20.0211 13.996 66.771 16.035 -120.237 TIMING: 841600 CPU: 2527.38, 0.00300899/step Wall: 2527.38, 0.00300899/step, 3.47572 hours remaining, 207.855469 MB of memory in use. ENERGY: 841600 762.0327 2065.5289 1919.4200 110.2373 -206024.6398 17660.7794 0.0000 0.0000 34233.0847 -149273.5568 298.9660 -183506.6415 -149179.1990 298.8209 -91.8881 -54.0779 557322.6093 0.4575 0.2847 PRESSURE: 841800 41.4541 -85.4135 -62.2959 -85.4123 -219.868 -35.0478 -62.2964 -35.0456 -246.164 GPRESSURE: 841800 92.2611 -93.0864 -65.0463 -53.3162 -193.372 -52.0985 -49.1172 -40.6485 -208.522 PRESSAVG: 841800 73.1466 13.0335 -51.8097 13.0335 20.6431 1.03149 -51.8097 1.03149 -120.747 GPRESSAVG: 841800 73.4365 15.0053 -53.7315 13.0027 21.772 2.68829 -51.5386 2.2086 -122.521 TIMING: 841800 CPU: 2527.97, 0.00298488/step Wall: 2527.97, 0.00298488/step, 3.44771 hours remaining, 207.855469 MB of memory in use. ENERGY: 841800 762.9798 2052.0434 1919.8687 121.9566 -206178.7107 17742.8502 0.0000 0.0000 34387.9960 -149191.0160 300.3189 -183579.0120 -149095.6075 298.7606 -141.5260 -103.2110 558941.2294 -8.9858 -9.1042 PRESSURE: 842000 108.153 -60.7085 -172.774 -60.7089 14.7209 170.044 -172.775 170.045 -144.087 GPRESSURE: 842000 136.262 -102.298 -203.463 -80.1059 60.1654 137.874 -98.5605 150.691 -132.079 PRESSAVG: 842000 2.04942 -15.2352 -23.4587 -15.2352 45.0823 29.6188 -23.4585 29.6189 -43.612 GPRESSAVG: 842000 1.40322 -15.8418 -24.2946 -15.8743 44.6966 31.1403 -22.1248 27.7675 -42.3385 TIMING: 842000 CPU: 2528.57, 0.00298148/step Wall: 2528.57, 0.00298148/step, 3.44361 hours remaining, 207.855469 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: 842000 723.9584 2068.8768 1922.1375 113.6453 -205950.9374 17810.6131 0.0000 0.0000 34141.5123 -149170.1939 298.1663 -183311.7063 -149063.7232 299.2514 -7.0710 21.4494 558837.5580 1.1732 1.2538 PRESSURE: 842200 174.865 25.3791 225.058 25.3776 -142.485 -15.5964 225.056 -15.5973 -28.9911 GPRESSURE: 842200 214.917 108.082 222.742 4.04524 -110.741 -31.712 180.447 -45.4005 -4.38025 PRESSAVG: 842200 55.0142 61.2504 -10.0572 61.2503 46.2403 -23.661 -10.0571 -23.661 -40.3633 GPRESSAVG: 842200 54.9138 60.1364 -9.9738 61.2327 47.3571 -23.6039 -10.4097 -25.0447 -41.0597 TIMING: 842200 CPU: 2529.17, 0.00298215/step Wall: 2529.17, 0.00298215/step, 3.44422 hours remaining, 207.855469 MB of memory in use. ENERGY: 842200 758.7436 2100.7957 1946.2116 109.5494 -206002.7254 17815.0814 0.0000 0.0000 34216.0723 -149056.2714 298.8175 -183272.3437 -148965.1867 299.0645 1.1298 33.2654 558547.9786 20.2971 20.4037 PRESSURE: 842400 -12.0018 -37.8251 146.44 -37.825 -176.26 -139.995 146.439 -139.994 -48.3597 GPRESSURE: 842400 25.7694 -74.6164 173.102 -85.44 -158.052 -62.2232 39.2746 -111.429 -15.9376 PRESSAVG: 842400 14.8185 2.34923 31.1766 2.34925 24.3861 -19.5782 31.1766 -19.5783 -52.5793 GPRESSAVG: 842400 15.2666 3.18876 32.2461 2.77317 23.1788 -21.7817 28.4248 -15.7072 -51.9461 TIMING: 842400 CPU: 2529.77, 0.0029935/step Wall: 2529.77, 0.0029935/step, 3.45716 hours remaining, 207.855469 MB of memory in use. ENERGY: 842400 715.8275 2101.4712 1923.6807 111.0288 -206084.5022 17640.1604 0.0000 0.0000 34486.7771 -149105.5566 301.1816 -183592.3337 -149013.0116 300.0870 -78.8738 -49.4067 557874.8691 -4.4583 -4.5002 PRESSURE: 842600 -56.8842 164.871 -115.109 164.871 -61.1618 43.9031 -115.109 43.9049 -420.556 GPRESSURE: 842600 21.3882 171.218 -58.3641 94.6791 -47.512 79.3571 -104.738 11.7807 -412.136 PRESSAVG: 842600 68.3143 25.7606 19.3386 25.7606 -55.5842 2.99872 19.3385 2.99878 -15.1029 GPRESSAVG: 842600 68.604 25.1517 20.2925 25.0001 -55.2955 4.07451 21.3909 2.55731 -15.4688 TIMING: 842600 CPU: 2530.36, 0.00299511/step Wall: 2530.36, 0.00299511/step, 3.45885 hours remaining, 207.855469 MB of memory in use. ENERGY: 842600 733.2323 2094.3044 1943.6113 106.8916 -205815.0174 17552.3166 0.0000 0.0000 34036.9456 -149347.7155 297.2531 -183384.6612 -149255.0871 299.6488 -179.5340 -146.0866 557917.7861 -0.7909 -0.7201 PRESSURE: 842800 87.2902 105.128 -46.5534 105.128 -40.6398 -61.2801 -46.5529 -61.2799 -100.329 GPRESSURE: 842800 140.819 96.8859 -94.2506 83.1136 -24.663 -76.5748 -24.7779 -23.9037 -76.2722 PRESSAVG: 842800 21.6134 105.375 48.4204 105.375 -63.0033 12.4917 48.4204 12.4917 27.8844 GPRESSAVG: 842800 20.5224 104.921 48.296 105.06 -62.0754 10.1017 48.5882 11.2502 27.6902 TIMING: 842800 CPU: 2530.97, 0.00301339/step Wall: 2530.97, 0.00301339/step, 3.4798 hours remaining, 207.855469 MB of memory in use. ENERGY: 842800 769.1901 2095.4803 1943.1775 111.4627 -206605.2809 18101.5084 0.0000 0.0000 34371.2576 -149213.2044 300.1727 -183584.4620 -149125.0083 298.3694 -17.8930 13.2946 558164.0792 -4.5018 -4.6209 PRESSURE: 843000 396.465 60.3857 -134.048 60.3856 -30.4886 -109.592 -134.048 -109.594 -38.0445 GPRESSURE: 843000 404.321 77.1925 -168.746 147.401 -8.80703 -120.282 -58.6118 -96.4825 12.8816 PRESSAVG: 843000 -16.8072 61.9809 -9.28834 61.9808 25.9321 2.83273 -9.2884 2.83256 -12.2277 GPRESSAVG: 843000 -16.8459 60.5581 -9.58679 65.4373 24.8244 3.0325 -10.2541 3.39437 -11.0872 TIMING: 843000 CPU: 2531.57, 0.0030136/step Wall: 2531.57, 0.0030136/step, 3.47987 hours remaining, 207.855469 MB of memory in use. ENERGY: 843000 728.1919 2102.3789 1908.2090 133.7602 -206264.6171 17893.7658 0.0000 0.0000 34182.2790 -149316.0323 298.5223 -183498.3112 -149218.5379 298.9245 109.3107 136.1318 555835.3386 -1.0343 -1.0362 PRESSURE: 843200 336.78 170.266 -148.733 170.266 290.285 -11.6915 -148.732 -11.693 165.288 GPRESSURE: 843200 357.656 184.299 -115.539 148.375 318.791 -2.67214 -181.19 -84.6746 210.972 PRESSAVG: 843200 38.3536 33.6253 -48.8891 33.6253 90.3282 15.5165 -48.8891 15.5164 -71.186 GPRESSAVG: 843200 38.3512 36.9308 -49.9581 31.2265 89.1558 17.9796 -47.6435 14.2977 -70.5121 TIMING: 843200 CPU: 2532.18, 0.00303483/step Wall: 2532.18, 0.00303483/step, 3.50421 hours remaining, 207.855469 MB of memory in use. ENERGY: 843200 704.7647 2107.5466 1908.2583 112.4921 -206590.7122 18152.2109 0.0000 0.0000 34242.1372 -149363.3024 299.0451 -183605.4396 -149269.9513 298.5960 264.1174 295.8064 555172.3064 19.1653 18.9983 PRESSURE: 843400 135.334 48.1167 -75.2946 48.1166 59.535 -67.111 -75.2946 -67.1101 63.1689 GPRESSURE: 843400 140.969 86.905 -103.671 52.5025 108.351 -73.6218 -66.7362 -90.1821 110.484 PRESSAVG: 843400 23.906 72.0118 -46.1083 72.0117 22.7975 8.60137 -46.1083 8.60134 -28.3653 GPRESSAVG: 843400 24.0947 70.7151 -45.3345 72.4753 23.3972 6.63255 -47.9429 9.50699 -29.165 TIMING: 843400 CPU: 2532.78, 0.00303293/step Wall: 2532.78, 0.00303293/step, 3.50186 hours remaining, 207.855469 MB of memory in use. ENERGY: 843400 686.6502 2201.7032 1924.9231 109.5932 -206046.2743 17785.6288 0.0000 0.0000 34005.1275 -149332.6482 296.9752 -183337.7757 -149237.0897 298.1931 86.0126 119.9347 557137.9597 6.1128 6.1090 PRESSURE: 843600 -59.6202 -24.2527 3.4887 -24.2519 -373.805 88.7076 3.48817 88.7073 -249.709 GPRESSURE: 843600 -5.19236 -82.6254 1.28788 -2.92317 -319.037 101.883 52.6713 80.7003 -263.242 PRESSAVG: 843600 -33.3521 69.9776 -6.25269 69.9776 41.9921 12.3119 -6.25264 12.3118 -7.3928 GPRESSAVG: 843600 -33.1185 72.2932 -4.88326 68.8381 41.9218 12.7639 -7.13543 10.7184 -7.7606 TIMING: 843600 CPU: 2533.39, 0.003009/step Wall: 2533.39, 0.003009/step, 3.47406 hours remaining, 207.855469 MB of memory in use. ENERGY: 843600 764.0664 2113.2946 1916.2570 113.1143 -206336.4245 17613.4759 0.0000 0.0000 34109.0127 -149707.2036 297.8825 -183816.2163 -149607.7591 298.1204 -227.7115 -195.8238 557870.6648 0.4157 0.3476 PRESSURE: 843800 84.4889 138.046 133.263 138.047 -54.1525 72.4862 133.263 72.4858 52.9541 GPRESSURE: 843800 64.1228 81.1264 69.8998 154.692 6.36649 69.7751 92.2919 22.4995 118.278 PRESSAVG: 843800 5.55905 47.6777 35.3645 47.6777 65.1625 65.1519 35.3645 65.1517 -42.996 GPRESSAVG: 843800 4.85006 44.6792 32.3826 49.1746 65.6524 66.1827 36.8434 65.3138 -42.8529 TIMING: 843800 CPU: 2533.99, 0.00300817/step Wall: 2533.99, 0.00300817/step, 3.47294 hours remaining, 207.855469 MB of memory in use. ENERGY: 843800 715.9761 2096.8891 1926.2193 121.6368 -206841.9346 18045.8693 0.0000 0.0000 34163.3925 -149771.9516 298.3574 -183935.3440 -149673.3015 298.2192 27.7635 62.9225 557905.0891 9.2419 9.2165 PRESSURE: 844000 208.927 -7.61265 -81.25 -7.61281 295.974 -145.47 -81.2503 -145.467 205.312 GPRESSURE: 844000 216.57 -64.3327 -145.692 8.2525 276.259 -217.257 2.12529 -88.0179 311.072 PRESSAVG: 844000 26.2544 12.833 23.4576 12.833 -12.6499 0.589403 23.4576 0.589525 -31.0808 GPRESSAVG: 844000 25.7656 16.2577 24.1334 11.4561 -13.0068 0.467098 24.1805 2.84357 -30.0223 TIMING: 844000 CPU: 2534.59, 0.00300555/step Wall: 2534.59, 0.00300555/step, 3.46975 hours remaining, 207.855469 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: 844000 711.0603 2099.4155 1917.1986 104.2918 -206918.8870 18322.6770 0.0000 0.0000 34010.5205 -149753.7231 297.0223 -183764.2437 -149660.2136 297.4841 236.7375 267.9670 557240.2619 -5.8254 -5.7545 PRESSURE: 844200 -52.875 100.431 28.6004 100.429 -159.042 -236.994 28.6013 -236.995 -321.824 GPRESSURE: 844200 -4.90105 25.6086 29.2256 54.9302 -143.035 -106.518 28.7865 -258.255 -280.72 PRESSAVG: 844200 86.8591 -23.8095 -17.6936 -23.8095 -27.8307 -37.4047 -17.6936 -37.4047 -53.2519 GPRESSAVG: 844200 87.9019 -26.6337 -19.5235 -22.4945 -28.1722 -37.9532 -16.3954 -39.7281 -53.7975 TIMING: 844200 CPU: 2535.19, 0.00299015/step Wall: 2535.19, 0.00299015/step, 3.45179 hours remaining, 207.855469 MB of memory in use. ENERGY: 844200 746.4590 2126.7372 1914.6032 102.4998 -206446.4366 17613.9706 0.0000 0.0000 34360.5721 -149581.5947 300.0794 -183942.1667 -149481.2256 297.9583 -177.9138 -142.8852 556722.7672 1.9255 1.9774 LDB: ============= START OF LOAD BALANCING ============== 2538.7 LDB: ============== END OF LOAD BALANCING =============== 2538.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2538.71 LDB: ============= START OF LOAD BALANCING ============== 2539.01 LDB: Largest compute 4800 load 0.029992 is 25.4% of average load 0.117928 LDB: Average compute 0.001740 is 1.5% of average load 0.117928 LDB: TIME 2539.01 LOAD: AVG 0.117928 MAX 0.205475 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.141 MB LDB: TIME 2539.01 LOAD: AVG 0.117928 MAX 0.205475 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.344 MB LDB: TIME 2539.01 LOAD: AVG 0.117928 MAX 0.205475 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.344 MB LDB: ============== END OF LOAD BALANCING =============== 2539.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2539.02 PRESSURE: 844400 69.0805 -56.6768 -59.1871 -56.6753 -138.228 164.839 -59.1868 164.839 -13.7376 GPRESSURE: 844400 167.58 -3.15891 -10.284 -26.6133 -172.055 184.292 -113.551 179.822 22.3815 PRESSAVG: 844400 -12.3616 -33.8083 -38.2849 -33.8082 -57.5772 6.35671 -38.2848 6.35683 44.049 GPRESSAVG: 844400 -12.9972 -32.5627 -35.4437 -34.2768 -56.6992 6.64721 -40.8042 7.27039 43.8119 TIMING: 844400 CPU: 2535.8, 0.00307936/step Wall: 2535.8, 0.00307936/step, 3.55461 hours remaining, 206.628906 MB of memory in use. ENERGY: 844400 752.1617 2095.7325 1901.2778 111.2696 -206732.9176 18004.6393 0.0000 0.0000 34212.9661 -149654.8705 298.7903 -183867.8367 -149561.7519 298.5102 -27.6285 5.9688 556329.4212 -8.6299 -8.6282 PRESSURE: 844600 144.258 -208.866 -63.0024 -208.867 -25.6963 97.9038 -63.0025 97.904 22.3978 GPRESSURE: 844600 182.333 -181.805 -136.251 -218.124 8.69523 38.291 -111.268 154.335 52.2573 PRESSAVG: 844600 21.324 -24.9315 -35.3202 -24.9314 8.46757 41.9377 -35.3201 41.9376 13.2598 GPRESSAVG: 844600 21.7105 -26.6209 -36.4933 -23.0205 8.32936 41.0297 -33.6142 41.4778 13.4255 TIMING: 844600 CPU: 2536.4, 0.00300891/step Wall: 2536.4, 0.00300891/step, 3.47312 hours remaining, 206.628906 MB of memory in use. ENERGY: 844600 732.8692 2120.1585 1926.5610 119.4941 -206362.4154 17913.5551 0.0000 0.0000 34139.6357 -149410.1417 298.1499 -183549.7774 -149315.2042 299.2659 46.9866 81.0950 557147.0137 14.3504 14.4885 PRESSURE: 844800 63.1106 107.262 -194.167 107.261 -154.411 44.6146 -194.167 44.6164 -70.9516 GPRESSURE: 844800 36.0184 132.128 -172.586 101.259 -59.0994 -47.796 -201.095 30.9285 -52.5478 PRESSAVG: 844800 -2.84065 42.5313 -50.602 42.5313 -26.0059 -30.2628 -50.602 -30.2627 -6.55233 GPRESSAVG: 844800 -1.98809 45.3034 -50.0449 40.0659 -26.6153 -30.4025 -51.7992 -30.543 -7.16676 TIMING: 844800 CPU: 2537.01, 0.00301149/step Wall: 2537.01, 0.00301149/step, 3.47593 hours remaining, 206.628906 MB of memory in use. ENERGY: 844800 755.3021 2127.0347 1921.3396 108.1534 -206338.3216 17767.8017 0.0000 0.0000 34229.3998 -149429.2903 298.9339 -183658.6901 -149332.6259 298.6570 -54.0841 -25.2096 556678.0162 -11.7996 -11.9234 PRESSURE: 845000 -220.194 1.75635 -146.317 1.7567 -20.6691 67.8252 -146.317 67.8242 67.5589 GPRESSURE: 845000 -194.113 71.9396 -172.733 -6.47264 -2.52145 -55.3707 -102.838 118.122 110.104 PRESSAVG: 845000 61.8694 58.6476 -68.308 58.6475 7.73803 -10.9028 -68.3079 -10.9027 -28.607 GPRESSAVG: 845000 60.7503 58.418 -69.6047 58.8497 8.95471 -10.7318 -68.0964 -10.9013 -28.07 TIMING: 845000 CPU: 2537.61, 0.00301844/step Wall: 2537.61, 0.00301844/step, 3.48378 hours remaining, 206.628906 MB of memory in use. ENERGY: 845000 712.4009 2105.6324 1904.5742 123.2261 -206262.4620 17685.1260 0.0000 0.0000 34341.3554 -149390.1471 299.9116 -183731.5025 -149290.1455 298.6105 -57.7680 -28.8436 557713.4692 13.6668 13.8783 PRESSURE: 845200 -233.023 -16.5962 3.24026 -16.5953 162.506 -24.5171 3.24037 -24.5169 232.324 GPRESSURE: 845200 -149.567 -81.0057 47.5804 -68.0051 149.888 -68.1057 38.667 1.87309 266.919 PRESSAVG: 845200 -48.895 29.3964 -41.6814 29.3964 -6.70804 30.4784 -41.6814 30.4784 9.7205 GPRESSAVG: 845200 -48.3539 28.3543 -39.2924 29.4628 -6.04725 30.2076 -42.6862 32.4609 9.07511 TIMING: 845200 CPU: 2538.21, 0.00300375/step Wall: 2538.21, 0.00300375/step, 3.46666 hours remaining, 206.628906 MB of memory in use. ENERGY: 845200 727.7420 2073.4541 1913.1679 120.7779 -206362.2835 17927.4539 0.0000 0.0000 34239.1348 -149360.5530 299.0189 -183599.6878 -149261.6890 298.9911 53.9355 89.0799 557274.0947 -15.2942 -15.1087 PRESSURE: 845400 59.4573 130.468 -35.3104 130.467 -58.9273 -5.86548 -35.3107 -5.8648 -36.4764 GPRESSURE: 845400 106.854 95.0949 8.58779 70.528 -31.7585 -86.6635 -37.9617 0.263434 -20.9773 PRESSAVG: 845400 3.43735 -3.87267 -32.3682 -3.87267 4.15042 7.99545 -32.3682 7.99549 2.22623 GPRESSAVG: 845400 4.79245 -3.85868 -33.0478 -3.98192 3.45907 9.47948 -33.0198 6.08894 2.33498 TIMING: 845400 CPU: 2538.81, 0.00299106/step Wall: 2538.81, 0.00299106/step, 3.45185 hours remaining, 206.628906 MB of memory in use. ENERGY: 845400 746.1286 2144.1468 1916.2771 108.9074 -206136.2908 17820.8060 0.0000 0.0000 34055.3212 -149344.7037 297.4136 -183400.0249 -149244.7703 298.6700 -11.9821 18.0393 557518.1001 3.2713 3.5288 PRESSURE: 845600 181.316 -30.888 -233.5 -30.8876 232.367 124.565 -233.5 124.567 -313.717 GPRESSURE: 845600 189.82 -39.4605 -177.639 -19.0688 247.661 181.53 -236.629 19.3445 -241.295 PRESSAVG: 845600 -5.65272 42.4566 -57.4002 42.4567 17.4578 -27.0855 -57.4001 -27.0855 -74.0051 GPRESSAVG: 845600 -5.51916 42.1237 -58.0911 41.9571 15.928 -28.4856 -56.7902 -26.2168 -72.435 TIMING: 845600 CPU: 2539.41, 0.00299232/step Wall: 2539.41, 0.00299232/step, 3.45314 hours remaining, 206.628906 MB of memory in use. ENERGY: 845600 720.7489 2158.5611 1929.3203 101.5715 -206204.4608 17865.3034 0.0000 0.0000 34035.0851 -149393.8705 297.2369 -183428.9556 -149294.5494 298.0284 33.3220 65.3954 556301.3310 -20.7334 -20.6754 PRESSURE: 845800 192.661 132.447 -50.8496 132.448 -81.9324 -154.938 -50.8501 -154.938 59.931 GPRESSURE: 845800 185.524 136.557 -31.0843 216.905 -15.8275 -156.728 -3.78946 -120.841 103.523 PRESSAVG: 845800 10.0178 23.1257 -4.84192 23.1257 40.8037 -22.9785 -4.84189 -22.9786 -76.69 GPRESSAVG: 845800 8.42096 24.584 -4.08465 22.9766 43.0681 -24.0383 -4.70218 -22.6902 -77.3413 TIMING: 845800 CPU: 2540.01, 0.00300369/step Wall: 2540.01, 0.00300369/step, 3.46609 hours remaining, 206.628906 MB of memory in use. ENERGY: 845800 736.6733 2133.2638 1933.3446 108.4521 -206538.2532 17944.7907 0.0000 0.0000 34318.0653 -149363.6634 299.7082 -183681.7287 -149267.2609 298.6765 56.8864 91.0733 556930.6876 -8.6229 -8.6174 PRESSURE: 846000 -65.0145 9.31031 -175.653 9.30967 195.993 -110.981 -175.653 -110.982 152.824 GPRESSURE: 846000 -11.2285 53.0579 -221.762 -0.681055 218.452 -111.794 -177.65 -159.927 159.174 PRESSAVG: 846000 -28.7761 47.1389 -22.8469 47.1389 37.505 -4.90684 -22.8469 -4.90676 -13.7596 GPRESSAVG: 846000 -27.9872 45.0593 -24.4408 50.8666 36.9153 -3.93121 -21.5173 -5.20762 -14.4353 TIMING: 846000 CPU: 2540.61, 0.00300044/step Wall: 2540.61, 0.00300044/step, 3.46218 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: 846000 755.8354 2064.1816 1948.8855 94.9142 -206352.0456 17883.4634 0.0000 0.0000 34338.5881 -149266.1774 299.8874 -183604.7655 -149170.4449 298.9210 94.6007 122.1324 555417.6217 -1.6769 -1.8357 PRESSURE: 846200 5.78535 -78.4025 139.943 -78.4027 1.4977 -51.0143 139.943 -51.0136 108.837 GPRESSURE: 846200 61.116 57.4773 232.585 -107.519 -3.77883 35.7171 105.97 -20.4745 151.965 PRESSAVG: 846200 -62.3718 -14.8705 -17.8729 -14.8705 30.7716 4.15001 -17.873 4.14991 -6.96164 GPRESSAVG: 846200 -62.4533 -13.1561 -17.25 -15.9111 29.7855 6.93296 -18.7086 3.34753 -5.86801 TIMING: 846200 CPU: 2541.21, 0.00303094/step Wall: 2541.21, 0.00303094/step, 3.49719 hours remaining, 206.628906 MB of memory in use. ENERGY: 846200 746.0369 2083.2064 1893.2700 100.4811 -206061.8491 17860.7405 0.0000 0.0000 34233.3861 -149144.7281 298.9687 -183378.1141 -149043.8017 298.9986 38.7065 69.7673 556637.1853 -12.8539 -12.8453 PRESSURE: 846400 180.403 31.8039 121.754 31.8046 106.697 -172.238 121.755 -172.239 129.251 GPRESSURE: 846400 179.209 28.0197 169.966 73.5932 188.14 -118.116 60.8982 -164.022 137.093 PRESSAVG: 846400 54.2953 -18.3694 21.9304 -18.3694 -72.3825 56.3951 21.9304 56.3952 5.26551 GPRESSAVG: 846400 54.9751 -17.8217 22.0958 -21.4658 -73.5415 55.2023 20.2419 57.0325 5.01629 TIMING: 846400 CPU: 2541.81, 0.002968/step Wall: 2541.81, 0.002968/step, 3.42442 hours remaining, 206.628906 MB of memory in use. ENERGY: 846400 760.8600 2149.8208 1918.7200 111.1957 -206325.6163 18000.4940 0.0000 0.0000 34162.9109 -149221.6149 298.3532 -183384.5259 -149123.2719 299.4233 138.7836 168.1473 557997.6102 -4.2739 -4.5167 PRESSURE: 846600 -196.337 -28.5653 135.879 -28.5644 -57.243 -102.167 135.881 -102.165 -137.527 GPRESSURE: 846600 -214.891 -48.3829 221.07 -115.751 4.54825 -114.978 101.561 -65.9362 -76.6463 PRESSAVG: 846600 4.34838 -41.3312 -9.15239 -41.3313 -18.2803 -23.9076 -9.15244 -23.9076 19.9303 GPRESSAVG: 846600 3.70577 -45.3669 -8.60851 -39.0181 -16.6614 -25.0252 -10.4616 -21.8455 19.1817 TIMING: 846600 CPU: 2542.41, 0.00299875/step Wall: 2542.41, 0.00299875/step, 3.45972 hours remaining, 206.628906 MB of memory in use. ENERGY: 846600 700.6138 2125.0262 1912.1285 127.7808 -206098.3624 17587.8954 0.0000 0.0000 34546.5669 -149098.3508 301.7038 -183644.9177 -148998.0644 299.4343 -130.3688 -95.6629 558953.8792 1.9995 2.0753 PRESSURE: 846800 -320.641 69.5057 35.8622 69.5059 -42.6937 -137.191 35.8646 -137.191 154.41 GPRESSURE: 846800 -272.132 59.9798 3.00126 88.073 -18.4501 -87.3422 52.5781 -91.8547 176.248 PRESSAVG: 846800 -66.0051 -25.3695 -32.0031 -25.3696 19.6103 -49.8541 -32.0031 -49.8541 -2.96398 GPRESSAVG: 846800 -65.1218 -21.2763 -32.6725 -26.6965 18.4374 -49.7826 -31.3832 -51.6166 -2.2593 TIMING: 846800 CPU: 2543.01, 0.00299158/step Wall: 2543.01, 0.00299157/step, 3.45128 hours remaining, 206.628906 MB of memory in use. ENERGY: 846800 775.5342 2102.4029 1923.4247 123.1756 -205931.4128 17711.4027 0.0000 0.0000 34165.2772 -149130.1955 298.3739 -183295.4728 -149028.6898 299.1632 -69.6416 -38.1115 557997.6957 -16.4529 -16.3146 PRESSURE: 847000 -174.427 -149.247 -63.8175 -149.247 32.2222 -82.2163 -63.8168 -82.216 39.2196 GPRESSURE: 847000 -128.165 -220.573 -32.1859 -59.5845 49.0672 -86.789 -64.9323 -129.7 80.5158 PRESSAVG: 847000 -12.998 -18.2254 2.3147 -18.2255 -33.8068 -38.0752 2.31473 -38.0753 64.3433 GPRESSAVG: 847000 -14.4079 -19.6731 2.35639 -17.6036 -33.3923 -38.4045 3.78835 -38.1778 65.1277 TIMING: 847000 CPU: 2543.61, 0.00300961/step Wall: 2543.61, 0.00300962/step, 3.47193 hours remaining, 206.628906 MB of memory in use. ENERGY: 847000 773.6448 2201.1165 1917.8590 132.3564 -206134.7429 17652.0041 0.0000 0.0000 34322.6414 -149135.1207 299.7482 -183457.7621 -149043.1135 299.7815 -34.3284 0.4727 558566.2768 5.8462 5.7758 PRESSURE: 847200 -263.036 -67.6481 310.135 -67.6481 -67.4101 15.719 310.136 15.7197 -15.7135 GPRESSURE: 847200 -245.594 -20.6567 270.007 -68.3408 -56.387 100.847 282.742 -64.0909 58.0261 PRESSAVG: 847200 -14.205 -7.6436 -53.4025 -7.64366 -30.4421 -22.465 -53.4025 -22.465 25.884 GPRESSAVG: 847200 -12.4167 -7.02206 -52.6221 -6.39725 -31.7798 -23.1248 -56.1552 -22.082 25.908 TIMING: 847200 CPU: 2544.21, 0.00298901/step Wall: 2544.21, 0.00298901/step, 3.44799 hours remaining, 206.628906 MB of memory in use. ENERGY: 847200 726.8076 2105.8265 1927.0038 116.7644 -205954.0852 17632.6050 0.0000 0.0000 34168.8220 -149276.2559 298.4048 -183445.0779 -149175.5329 299.6071 -115.3864 -81.3183 558822.7440 -6.2544 -6.0961 PRESSURE: 847400 85.7606 -101.528 55.8266 -101.528 51.3002 -29.5787 55.8258 -29.5787 -283.78 GPRESSURE: 847400 93.856 -64.599 99.621 -163.486 98.41 -64.0662 -27.9624 48.4014 -238.354 PRESSAVG: 847400 56.683 -51.7137 10.4426 -51.7136 33.5928 -59.7137 10.4427 -59.7135 -89.4683 GPRESSAVG: 847400 55.9336 -51.907 9.55185 -52.9788 34.7906 -59.5898 13.4217 -58.7107 -90.1706 TIMING: 847400 CPU: 2544.81, 0.00300308/step Wall: 2544.81, 0.00300308/step, 3.46406 hours remaining, 206.628906 MB of memory in use. ENERGY: 847400 751.5442 2051.2202 1924.7524 122.5087 -206537.8688 17919.1357 0.0000 0.0000 34285.5071 -149483.2006 299.4239 -183768.7076 -149389.0460 298.9617 -48.9063 -15.3626 558274.7171 0.2692 0.1845 PRESSURE: 847600 91.0683 -326.985 100.304 -326.985 -155.032 -24.7585 100.304 -24.7584 69.1718 GPRESSURE: 847600 102.604 -319.565 125.698 -221.348 -106.243 -36.6361 70.8315 -31.0835 114.445 PRESSAVG: 847600 15.2489 -69.5539 40.2274 -69.5539 28.5538 2.8826 40.2275 2.88258 -57.9616 GPRESSAVG: 847600 14.1809 -71.5998 38.2907 -68.0628 28.8743 3.66783 41.3263 0.194895 -56.913 TIMING: 847600 CPU: 2545.4, 0.00298642/step Wall: 2545.4, 0.00298642/step, 3.44467 hours remaining, 206.628906 MB of memory in use. ENERGY: 847600 756.0946 2068.3368 1918.4229 111.0818 -206457.5635 17980.8376 0.0000 0.0000 34060.5834 -149562.2066 297.4595 -183622.7899 -149467.0293 298.3499 1.7360 36.9352 557032.2902 -4.7196 -4.6193 PRESSURE: 847800 -207.187 40.3315 -143.871 40.3315 87.4514 -71.9225 -143.872 -71.9234 -76.5194 GPRESSURE: 847800 -248.902 97.6016 -144.835 -18.0875 158.904 78.5154 -161.283 -154.034 -11.0041 PRESSAVG: 847800 -30.9761 -70.0576 21.8838 -70.0576 -13.4862 -8.74231 21.8838 -8.74236 43.7321 GPRESSAVG: 847800 -29.4652 -68.3645 23.9015 -73.6999 -12.7527 -7.76578 20.6916 -7.22001 41.5421 TIMING: 847800 CPU: 2546, 0.00298771/step Wall: 2546, 0.00298771/step, 3.44599 hours remaining, 206.628906 MB of memory in use. ENERGY: 847800 733.0559 2043.3604 1935.7379 113.1166 -206069.7633 17690.2514 0.0000 0.0000 34094.5853 -149459.6558 297.7565 -183554.2411 -149361.5257 298.0557 -65.4182 -33.6674 558066.3638 -0.2434 -0.2253 PRESSURE: 848000 -258.57 39.9509 125.182 39.9518 -2.51622 -104.384 125.182 -104.385 -372.145 GPRESSURE: 848000 -276.888 47.3467 173.497 53.9217 14.091 -92.1693 102.847 -31.1637 -267.057 PRESSAVG: 848000 36.7025 -17.3704 20.2513 -17.3705 27.5448 -11.0259 20.2512 -11.0259 -21.5381 GPRESSAVG: 848000 37.2877 -19.5492 20.9693 -14.3272 26.6825 -12.4956 21.4332 -11.379 -20.6416 TIMING: 848000 CPU: 2546.6, 0.00299266/step Wall: 2546.6, 0.00299266/step, 3.45153 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: 848000 764.4871 2081.1856 1906.3138 112.4858 -206010.0865 17536.6777 0.0000 0.0000 34293.9159 -149315.0207 299.4973 -183608.9366 -149214.1383 298.7802 -211.0768 -176.6178 557702.3406 14.2364 14.4429 PRESSURE: 848200 -127.176 57.0069 -36.4373 57.0075 -62.184 6.10168 -36.4368 6.10307 -67.4451 GPRESSURE: 848200 -134.455 83.7224 -17.6986 62.4945 0.375279 -32.1229 -67.4049 109.919 -40.2469 PRESSAVG: 848200 24.302 32.0767 28.7912 32.0767 1.43319 4.42444 28.7913 4.42441 -49.0786 GPRESSAVG: 848200 22.1998 33.6658 26.8551 31.1174 2.48484 5.92751 28.5298 4.74446 -48.0077 TIMING: 848200 CPU: 2547.2, 0.00299937/step Wall: 2547.2, 0.00299937/step, 3.4591 hours remaining, 206.628906 MB of memory in use. ENERGY: 848200 748.1379 2131.5379 1908.6410 114.8749 -206204.5337 17643.9462 0.0000 0.0000 34336.6612 -149320.7344 299.8706 -183657.3957 -149224.4284 299.0264 -85.6016 -58.1090 556499.1144 -7.7812 -7.7744 LDB: ============= START OF LOAD BALANCING ============== 2550.72 LDB: ============== END OF LOAD BALANCING =============== 2550.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2550.72 LDB: ============= START OF LOAD BALANCING ============== 2551.02 LDB: Largest compute 4800 load 0.031090 is 26.4% of average load 0.117787 LDB: Average compute 0.001742 is 1.5% of average load 0.117787 LDB: TIME 2551.02 LOAD: AVG 0.117787 MAX 0.210465 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.652 MB LDB: TIME 2551.02 LOAD: AVG 0.117787 MAX 0.210465 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.652 MB LDB: TIME 2551.02 LOAD: AVG 0.117787 MAX 0.210465 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.652 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2551.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2551.03 PRESSURE: 848400 -166.042 232.149 69.7562 232.15 -426.234 95.1866 69.7555 95.1884 -259.198 GPRESSURE: 848400 -106.621 231.024 96.3606 163.993 -386.579 107.1 64.9675 -4.01199 -253.976 PRESSAVG: 848400 -17.3274 -14.6697 27.6429 -14.6697 15.9035 -2.93624 27.6429 -2.93629 21.757 GPRESSAVG: 848400 -15.1322 -14.5319 28.733 -13.3924 14.4258 -1.90407 28.3624 -4.26294 20.8899 TIMING: 848400 CPU: 2547.81, 0.00306652/step Wall: 2547.81, 0.00306652/step, 3.53638 hours remaining, 208.035156 MB of memory in use. ENERGY: 848400 732.9456 2071.2166 1916.0695 112.9084 -205579.0953 17330.5408 0.0000 0.0000 34260.5408 -149154.8736 299.2058 -183415.4144 -149057.1931 299.3217 -283.8245 -249.0587 558342.2100 6.7777 6.7278 PRESSURE: 848600 79.6047 -133.787 55.3199 -133.787 49.3508 -87.8071 55.3204 -87.8045 -93.4988 GPRESSURE: 848600 126.513 -127.441 -7.68471 -67.2324 36.5355 -101.663 -2.82143 -64.6311 -34.0868 PRESSAVG: 848600 -31.3354 -8.30788 -44.4386 -8.30787 17.9266 -31.0769 -44.4386 -31.0769 13.0505 GPRESSAVG: 848600 -31.4295 -8.8279 -44.3714 -7.12301 18.0702 -35.1909 -45.0083 -29.9818 13.0256 TIMING: 848600 CPU: 2548.42, 0.00302449/step Wall: 2548.42, 0.00302449/step, 3.48774 hours remaining, 208.035156 MB of memory in use. ENERGY: 848600 706.9416 2122.3266 1941.9095 119.4682 -206037.5324 17646.7636 0.0000 0.0000 34392.4055 -149107.7174 300.3574 -183500.1229 -149013.4269 299.5463 11.8189 42.9874 557895.4668 -0.1194 -0.1112 PRESSURE: 848800 26.3964 -89.3653 98.6852 -89.365 -70.4244 148.616 98.6845 148.617 -121.834 GPRESSURE: 848800 37.8967 -61.9927 95.2793 -44.5376 9.49619 149.89 24.2262 126.563 -111.919 PRESSAVG: 848800 -46.3053 -12.8345 -5.76292 -12.8345 49.2615 -9.05759 -5.76288 -9.05764 8.88289 GPRESSAVG: 848800 -48.085 -10.118 -7.42982 -15.461 49.1205 -6.41307 -5.58327 -8.94117 11.0666 TIMING: 848800 CPU: 2549.02, 0.00299901/step Wall: 2549.02, 0.00299901/step, 3.45819 hours remaining, 208.035156 MB of memory in use. ENERGY: 848800 732.7111 2093.2472 1916.7175 126.1463 -206011.3302 17691.7390 0.0000 0.0000 34275.6234 -149175.1458 299.3375 -183450.7692 -149071.8102 299.7405 -55.2872 -21.5086 557202.7101 3.9463 4.0341 PRESSURE: 849000 296.244 -85.2855 130.109 -85.2851 -8.03504 -16.0902 130.108 -16.0907 -89.453 GPRESSURE: 849000 322.524 -6.61447 152.323 -94.5064 24.3835 26.451 46.5189 2.90615 -59.5048 PRESSAVG: 849000 39.2821 -11.9522 -11.3016 -11.9521 -22.4292 52.6754 -11.3016 52.6754 -33.1959 GPRESSAVG: 849000 40.0465 -14.5797 -10.5059 -10.5212 -20.4826 51.976 -10.1031 52.281 -36.3316 TIMING: 849000 CPU: 2549.61, 0.00297807/step Wall: 2549.61, 0.00297807/step, 3.43388 hours remaining, 208.035156 MB of memory in use. ENERGY: 849000 724.2769 2171.2894 1949.7794 107.9781 -206133.9078 17812.7925 0.0000 0.0000 34301.0202 -149066.7712 299.5593 -183367.7915 -148968.8369 299.7063 66.2518 95.8010 558416.9678 -5.4477 -5.5892 PRESSURE: 849200 -101.792 26.337 60.3089 26.3362 -54.2215 -68.6554 60.3085 -68.6584 325.65 GPRESSURE: 849200 -33.754 -40.3665 124.533 7.88639 -82.9411 -78.8214 -5.14441 -101.265 383.516 PRESSAVG: 849200 7.6738 -31.3305 21.7891 -31.3304 -56.8199 28.8556 21.7891 28.8557 43.2809 GPRESSAVG: 849200 8.11639 -29.4013 22.0499 -34.0213 -58.9287 29.3376 19.1524 28.3428 46.1631 TIMING: 849200 CPU: 2550.21, 0.00297736/step Wall: 2550.21, 0.00297736/step, 3.4329 hours remaining, 208.035156 MB of memory in use. ENERGY: 849200 725.8025 2078.2235 1954.9407 116.2784 -206072.4238 17875.1050 0.0000 0.0000 34205.2732 -149116.8006 298.7232 -183322.0737 -149019.8440 299.2707 56.5453 88.9404 557225.3609 -1.9551 -1.5498 PRESSURE: 849400 -116.02 108.035 47.6357 108.035 -10.0875 114.301 47.6357 114.3 -167.055 GPRESSURE: 849400 -109.998 75.4601 -43.4755 151.781 20.0419 70.6335 64.3066 135.076 -106.853 PRESSAVG: 849400 -39.9861 -14.9628 49.3354 -14.9629 -42.2223 -12.0377 49.3353 -12.0376 83.6527 GPRESSAVG: 849400 -40.4943 -15.7762 49.3239 -11.8682 -40.3885 -13.4777 50.3556 -12.1795 82.834 TIMING: 849400 CPU: 2550.81, 0.00298633/step Wall: 2550.81, 0.00298633/step, 3.44307 hours remaining, 208.035156 MB of memory in use. ENERGY: 849400 744.6789 2115.1779 1903.6559 109.6508 -206112.0157 17851.4893 0.0000 0.0000 34396.3068 -148991.0562 300.3915 -183387.3630 -148893.5936 298.8086 -97.7208 -65.6030 557935.9754 0.4814 0.6504 PRESSURE: 849600 -40.3226 43.4661 -14.112 43.4663 -139.834 -7.64773 -14.1124 -7.64895 147.338 GPRESSURE: 849600 3.80789 76.4535 -7.52701 -92.8695 -133.574 -16.3321 -59.461 -65.0944 188.348 PRESSAVG: 849600 -7.39073 -9.03577 -13.945 -9.03573 40.7906 -35.7307 -13.945 -35.7306 -13.5416 GPRESSAVG: 849600 -7.07477 -10.7979 -12.8773 -8.92043 39.5711 -33.7824 -14.7193 -35.8826 -12.7741 TIMING: 849600 CPU: 2551.4, 0.00296984/step Wall: 2551.4, 0.00296984/step, 3.4239 hours remaining, 208.035156 MB of memory in use. ENERGY: 849600 774.1791 2086.1279 1958.3869 104.8856 -206102.6877 17864.8459 0.0000 0.0000 34272.6927 -149041.5695 299.3119 -183314.2622 -148943.5443 299.8398 -10.9395 19.5273 556909.2604 6.6194 6.5741 PRESSURE: 849800 -213.414 -17.714 108.967 -17.7138 72.0071 71.3752 108.967 71.375 -38.8227 GPRESSURE: 849800 -179.998 -81.9389 52.9086 -22.5307 109.728 49.9173 161.862 13.874 -8.34844 PRESSAVG: 849800 -54.5636 -32.4713 -14.3896 -32.4712 -20.9109 -26.0228 -14.3896 -26.0228 81.3348 GPRESSAVG: 849800 -54.1924 -29.7293 -15.4113 -33.2124 -20.3808 -26.9621 -14.6986 -25.2996 80.5175 TIMING: 849800 CPU: 2551.99, 0.00295543/step Wall: 2551.99, 0.00295543/step, 3.40712 hours remaining, 208.035156 MB of memory in use. ENERGY: 849800 743.7350 2115.9223 1938.3037 114.1999 -206217.4314 17779.8146 0.0000 0.0000 34361.9794 -149163.4764 300.0917 -183525.4559 -149069.8660 299.9478 -60.0766 -26.2060 557207.6546 1.9535 1.9815 PRESSURE: 850000 -36.2238 -33.4572 63.5274 -33.4586 150.346 -39.6161 63.5269 -39.6148 339.725 GPRESSURE: 850000 28.6344 -41.5365 57.297 -85.7864 223.155 -87.2508 62.4763 27.4827 311.326 PRESSAVG: 850000 -22.6282 -23.855 28.902 -23.855 66.6874 8.02254 28.902 8.02241 -3.96527 GPRESSAVG: 850000 -21.782 -25.5684 27.1257 -23.7266 65.7065 6.27904 30.444 9.9063 -3.14425 TIMING: 850000 CPU: 2552.58, 0.00294229/step Wall: 2552.58, 0.00294229/step, 3.3918 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: 850000 773.6398 2087.2168 1899.2557 113.4353 -206500.0596 17988.6111 0.0000 0.0000 34399.1493 -149238.7517 300.4163 -183637.9010 -149141.7888 299.5462 151.2825 187.7054 555984.9246 13.3647 13.5934 PRESSURE: 850200 6.83912 -71.5328 -128.514 -71.5331 142.841 102.905 -128.513 102.905 -143.158 GPRESSURE: 850200 54.0777 -108.146 -47.8377 -29.3684 147.307 153.38 -173.013 140.295 -94.3497 PRESSAVG: 850200 -46.2104 -20.663 -30.877 -20.663 10.5594 13.7291 -30.8769 13.7292 -38.8013 GPRESSAVG: 850200 -46.8005 -18.8778 -28.3245 -19.3401 10.9494 19.7327 -32.6878 9.76253 -38.8869 TIMING: 850200 CPU: 2553.17, 0.00297801/step Wall: 2553.17, 0.00297801/step, 3.43282 hours remaining, 208.035156 MB of memory in use. ENERGY: 850200 778.2284 2109.7874 1926.5465 114.3108 -206517.7983 17965.5159 0.0000 0.0000 34336.7439 -149286.6653 299.8713 -183623.4092 -149189.4681 299.5687 2.1741 35.6785 556329.9236 -24.8174 -24.9127 PRESSURE: 850400 -274.059 36.9631 -17.2897 36.9632 288.191 9.75049 -17.2895 9.74765 32.3421 GPRESSURE: 850400 -199.949 70.9457 -75.963 -14.7624 284.394 80.1003 -111.497 -103.677 41.02 PRESSAVG: 850400 -36.1724 -17.06 16.0071 -17.0599 80.4991 8.25649 16.0071 8.25642 -20.2601 GPRESSAVG: 850400 -36.1588 -17.1077 15.2851 -19.6191 80.7884 4.98072 16.3493 9.16998 -21.1668 TIMING: 850400 CPU: 2553.77, 0.00297551/step Wall: 2553.77, 0.00297551/step, 3.42977 hours remaining, 208.035156 MB of memory in use. ENERGY: 850400 741.2040 2148.8974 1917.7910 115.8029 -206451.3035 17968.9906 0.0000 0.0000 34200.4017 -149358.2159 298.6806 -183558.6175 -149264.2717 299.2736 15.4910 41.8217 556889.7904 8.0222 7.8209 PRESSURE: 850600 -188.916 -42.0597 -169.12 -42.0587 171.047 5.18519 -169.12 5.18502 181.764 GPRESSURE: 850600 -88.5134 -157.601 -111.577 61.5115 166.71 33.5913 -230.917 80.7567 194.566 PRESSAVG: 850600 -87.9127 7.40317 1.54802 7.40318 111.639 -0.948078 1.54807 -0.948044 -30.2128 GPRESSAVG: 850600 -86.7189 5.93723 4.13379 9.70977 110.243 -3.03106 1.22294 0.136372 -29.6261 TIMING: 850600 CPU: 2554.36, 0.00296352/step Wall: 2554.36, 0.00296352/step, 3.41579 hours remaining, 208.035156 MB of memory in use. ENERGY: 850600 719.2275 2113.9515 1959.2655 117.5200 -206575.6280 17949.0705 0.0000 0.0000 34453.9426 -149262.6503 300.8949 -183716.5929 -149158.4607 298.6939 54.6313 90.9209 556372.2269 -2.1621 -2.0340 PRESSURE: 850800 -205.979 -70.3441 49.8067 -70.3445 -24.4359 130.304 49.807 130.305 -178.182 GPRESSURE: 850800 -168.524 -80.8696 46.1402 -32.3937 22.2826 152.63 30.3028 53.1383 -163.085 PRESSAVG: 850800 4.36277 8.31776 -59.0371 8.31778 -3.06041 -35.7059 -59.0372 -35.706 -5.27006 GPRESSAVG: 850800 3.17852 9.22543 -60.8072 8.11566 -2.30144 -35.4256 -59.9305 -35.2267 -5.28338 TIMING: 850800 CPU: 2554.96, 0.00296732/step Wall: 2554.96, 0.00296732/step, 3.42 hours remaining, 208.035156 MB of memory in use. ENERGY: 850800 763.9977 2120.5913 1940.7364 124.1970 -205895.0437 17590.5193 0.0000 0.0000 34069.2370 -149285.7650 297.5351 -183355.0019 -149186.0861 299.2417 -136.1990 -103.1086 557804.4946 -1.3226 -1.4688 PRESSURE: 851000 -175.839 -60.1204 -27.9921 -60.1208 -29.6965 -116.72 -27.9898 -116.718 30.5419 GPRESSURE: 851000 -196.26 -109.719 -50.5471 -25.3162 33.0021 -178.643 -61.6929 9.51354 93.0144 PRESSAVG: 851000 24.2281 5.05925 -63.497 5.05931 13.3075 74.7649 -63.4969 74.765 -35.3748 GPRESSAVG: 851000 24.065 4.53938 -63.5027 3.79705 13.7029 75.904 -61.6729 74.6494 -35.647 TIMING: 851000 CPU: 2555.55, 0.00297853/step Wall: 2555.55, 0.00297853/step, 3.43276 hours remaining, 208.035156 MB of memory in use. ENERGY: 851000 763.0854 2107.7563 1934.7389 115.6051 -206242.6832 17714.7611 0.0000 0.0000 34189.4624 -149417.2741 298.5851 -183606.7365 -149320.4843 298.5777 -58.3311 -23.4144 557369.8389 0.7203 0.7070 PRESSURE: 851200 -217.45 36.7448 -19.1335 36.7449 -273.797 -21.4494 -19.1343 -21.4505 6.58675 GPRESSURE: 851200 -175.382 -1.1035 54.6549 29.1726 -249.915 -26.7862 -13.7742 48.0195 43.2014 PRESSAVG: 851200 -5.00225 -10.0271 -7.79411 -10.0272 -19.6229 -27.3804 -7.79408 -27.3805 -5.61067 GPRESSAVG: 851200 -4.31527 -8.37657 -8.51996 -10.7464 -19.899 -28.191 -9.043 -27.9613 -6.34451 TIMING: 851200 CPU: 2556.15, 0.00298692/step Wall: 2556.15, 0.00298692/step, 3.44226 hours remaining, 208.035156 MB of memory in use. ENERGY: 851200 776.8496 2099.7986 1936.9456 106.5102 -205956.0935 17513.1452 0.0000 0.0000 34088.3836 -149434.4606 297.7023 -183522.8442 -149335.2883 298.8209 -161.5535 -127.3652 558396.4826 -10.0786 -10.1862 PRESSURE: 851400 100.426 -35.9595 -70.4356 -35.9586 176.621 147.368 -70.4333 147.367 204.781 GPRESSURE: 851400 172.392 30.902 -136.203 -47.382 198.01 148.029 -84.6829 101.894 209.465 PRESSAVG: 851400 17.2927 39.2373 21.797 39.2372 -25.5938 -58.0382 21.797 -58.0381 43.9254 GPRESSAVG: 851400 16.2952 38.0886 24.1855 41.7954 -27.0039 -56.347 19.0866 -59.3327 46.5174 TIMING: 851400 CPU: 2556.75, 0.00298468/step Wall: 2556.75, 0.00298468/step, 3.43952 hours remaining, 208.035156 MB of memory in use. ENERGY: 851400 749.7598 2092.0403 1911.1902 122.3475 -206781.6502 18106.9701 0.0000 0.0000 34239.9011 -149559.4413 299.0256 -183799.3423 -149468.8134 298.1515 160.6091 193.2888 557353.9431 11.8748 11.9362 PRESSURE: 851600 60.421 -16.3684 -46.2449 -16.368 -33.8707 -146.56 -46.2447 -146.561 20.2238 GPRESSURE: 851600 113.713 -53.1869 -54.9824 34.1832 -75.138 -119.118 48.9645 -224.057 99.9726 PRESSAVG: 851600 22.3125 35.2266 -68.5069 35.2266 -54.4273 29.0863 -68.507 29.0863 -4.80127 GPRESSAVG: 851600 22.4411 33.2137 -68.7609 35.795 -53.1357 27.2792 -65.7617 29.9449 -6.16076 TIMING: 851600 CPU: 2557.34, 0.00299446/step Wall: 2557.34, 0.00299446/step, 3.45061 hours remaining, 208.035156 MB of memory in use. ENERGY: 851600 752.6259 2051.3737 1893.9456 112.1505 -206573.1525 17942.6921 0.0000 0.0000 34250.9539 -149569.4108 299.1221 -183820.3647 -149474.2598 298.2300 15.5914 46.1825 557915.8654 -12.3054 -12.2851 PRESSURE: 851800 253.995 63.6487 23.9301 63.6485 -74.6995 -134.88 23.9311 -134.882 -39.4718 GPRESSURE: 851800 286.725 128.276 93.6532 47.2761 -71.4524 -155.264 -2.52891 -106.311 18.4413 PRESSAVG: 851800 18.2069 -33.3088 16.2384 -33.3087 -8.16846 -35.8105 16.2384 -35.8106 13.287 GPRESSAVG: 851800 18.1354 -32.0116 14.7726 -34.965 -7.73596 -35.3317 16.281 -34.7475 13.7307 TIMING: 851800 CPU: 2557.94, 0.00298602/step Wall: 2557.94, 0.00298602/step, 3.44073 hours remaining, 208.035156 MB of memory in use. ENERGY: 851800 737.0302 2039.7133 1932.9335 118.4124 -206495.5170 17925.7507 0.0000 0.0000 34182.9554 -149558.7216 298.5283 -183741.6770 -149464.7487 297.8433 46.6078 77.9048 558628.1752 7.7751 8.0434 PRESSURE: 852000 -210.256 -11.0719 9.27835 -11.0726 -165.853 45.0779 9.27992 45.0785 -71.6277 GPRESSURE: 852000 -148.811 -130.011 128.805 42.3148 -197.499 26.7684 -48.5374 56.2595 0.407679 PRESSAVG: 852000 41.9125 -33.8658 -21.6763 -33.8657 -49.6 -2.90989 -21.6763 -2.90998 2.86327 GPRESSAVG: 852000 42.4303 -32.4272 -20.846 -32.9384 -50.0118 -3.4204 -23.0746 -3.11627 2.69667 TIMING: 852000 CPU: 2558.54, 0.0030041/step Wall: 2558.54, 0.0030041/step, 3.46139 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: 852000 769.5541 2108.9657 1938.1692 112.3646 -206325.6378 17818.1626 0.0000 0.0000 34182.3518 -149396.0698 298.5230 -183578.4216 -149299.8987 298.2035 -149.2457 -115.3009 558384.4841 -1.6081 -1.6283 PRESSURE: 852200 136.144 -238.721 -68.2855 -238.722 -68.7486 -17.0117 -68.2849 -17.0117 86.2906 GPRESSURE: 852200 188.996 -217.379 5.54588 -183.68 -49.2814 -1.58071 -128.934 -22.6058 107.039 PRESSAVG: 852200 26.1207 -20.1309 -88.7416 -20.131 -52.1417 -2.22044 -88.7415 -2.22033 42.9481 GPRESSAVG: 852200 26.4124 -19.5537 -88.3347 -21.2183 -53.4362 -2.2435 -87.1458 -2.86613 44.351 TIMING: 852200 CPU: 2559.15, 0.00302968/step Wall: 2559.15, 0.00302968/step, 3.4907 hours remaining, 208.035156 MB of memory in use. ENERGY: 852200 744.0749 2091.1075 1932.4951 105.9098 -206125.8510 17810.3399 0.0000 0.0000 34016.1396 -149425.7840 297.0714 -183441.9237 -149334.7039 298.0680 51.2288 82.2512 558730.6628 5.6424 5.7757 LDB: ============= START OF LOAD BALANCING ============== 2562.67 LDB: ============== END OF LOAD BALANCING =============== 2562.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2562.67 LDB: ============= START OF LOAD BALANCING ============== 2562.97 LDB: Largest compute 4800 load 0.030330 is 25.7% of average load 0.117821 LDB: Average compute 0.001735 is 1.5% of average load 0.117821 LDB: TIME 2562.97 LOAD: AVG 0.117821 MAX 0.206651 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.637 MB LDB: TIME 2562.97 LOAD: AVG 0.117821 MAX 0.206651 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.668 MB LDB: TIME 2562.97 LOAD: AVG 0.117821 MAX 0.206651 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.668 MB LDB: ============== END OF LOAD BALANCING =============== 2562.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2562.98 PRESSURE: 852400 -125.374 192.336 73.9249 192.337 221.068 -39.2609 73.924 -39.2606 181.627 GPRESSURE: 852400 -74.8138 173.17 82.296 180.772 261.38 -15.6908 101.41 -24.1874 181.296 PRESSAVG: 852400 41.1589 22.137 -8.93044 22.1371 13.144 16.3412 -8.93041 16.3412 -26.0441 GPRESSAVG: 852400 42.4704 21.644 -10.0524 24.6705 14.8574 17.0912 -8.0182 17.9697 -28.8462 TIMING: 852400 CPU: 2559.76, 0.00307482/step Wall: 2559.76, 0.00307482/step, 3.54253 hours remaining, 209.761719 MB of memory in use. ENERGY: 852400 749.0586 2111.1920 1899.9214 122.2641 -206279.2263 18013.7973 0.0000 0.0000 33958.4496 -149424.5434 296.5676 -183382.9930 -149333.3322 298.5792 92.4404 122.6206 557885.1247 9.4196 9.4939 PRESSURE: 852600 -268.149 195.168 -18.8267 195.166 12.1336 50.1936 -18.8257 50.1933 -197.018 GPRESSURE: 852600 -212.333 109.792 -18.9235 131.076 53.0769 -32.5709 -9.29494 74.7551 -197.009 PRESSAVG: 852600 -21.3399 79.5328 -5.2797 79.5327 36.2827 -16.5078 -5.27977 -16.5079 -21.8572 GPRESSAVG: 852600 -23.0641 78.5332 -5.98047 77.2946 36.547 -14.6152 -4.82092 -16.9474 -19.2776 TIMING: 852600 CPU: 2560.37, 0.0030247/step Wall: 2560.37, 0.0030247/step, 3.48462 hours remaining, 209.832031 MB of memory in use. ENERGY: 852600 794.0643 2084.9882 1933.1427 91.7038 -206436.6782 17750.4031 0.0000 0.0000 34397.9252 -149384.4509 300.4056 -183782.3761 -149291.0816 298.3743 -151.0110 -118.7549 556576.2155 -2.3048 -1.9316 PRESSURE: 852800 -6.94899 -8.17937 60.7957 -8.17903 -38.4338 102.214 60.7974 102.214 -109.585 GPRESSURE: 852800 -1.00674 -116.148 39.4532 11.7648 5.83157 134.233 137.222 87.0351 -63.3549 PRESSAVG: 852800 -6.41922 33.7683 -19.3371 33.7684 2.48059 50.1953 -19.3371 50.1954 -10.3234 GPRESSAVG: 852800 -5.99574 34.4326 -17.666 32.7673 1.81742 47.7895 -20.5857 52.9169 -9.80392 TIMING: 852800 CPU: 2560.97, 0.00301493/step Wall: 2560.97, 0.00301493/step, 3.4732 hours remaining, 209.832031 MB of memory in use. ENERGY: 852800 736.0178 2041.1885 1937.0956 116.2095 -206039.8965 17809.9785 0.0000 0.0000 34036.4955 -149362.9111 297.2492 -183399.4066 -149274.4452 298.2536 -51.6559 -19.5100 558476.9305 -4.7540 -4.6607 PRESSURE: 853000 305.286 -204.98 -55.8175 -204.98 -128.134 -11.6427 -55.8164 -11.6412 -6.94148 GPRESSURE: 853000 347.659 -191.279 -123.761 -192.357 -70.0818 -17.563 -122.003 -43.7623 -11.8508 PRESSAVG: 853000 -8.34219 -37.9812 -17.9153 -37.9812 28.8279 -0.776694 -17.9154 -0.776621 -13.0584 GPRESSAVG: 853000 -7.59762 -37.3783 -15.76 -35.5108 28.3266 -1.37764 -19.9265 -3.63192 -13.4403 TIMING: 853000 CPU: 2561.58, 0.00303656/step Wall: 2561.58, 0.00303656/step, 3.49795 hours remaining, 209.832031 MB of memory in use. ENERGY: 853000 759.6069 2084.7849 1947.7664 110.7274 -206072.0394 17712.3189 0.0000 0.0000 34159.0060 -149297.8289 298.3191 -183456.8349 -149207.4123 299.4428 56.7366 88.5755 557173.3637 2.4758 2.4296 PRESSURE: 853200 175.983 -36.3622 -45.9092 -36.3638 35.9783 -87.9273 -45.9108 -87.9258 351.829 GPRESSURE: 853200 168.819 -25.7968 -120.135 -26.4009 107.984 -40.7687 -55.2773 -101.005 401.55 PRESSAVG: 853200 3.89074 -50.3736 8.39198 -50.3736 -2.62383 -1.07746 8.39198 -1.07741 -39.9747 GPRESSAVG: 853200 3.908 -48.6828 6.37915 -51.1618 -2.04004 -1.39139 8.99922 0.112645 -40.2286 TIMING: 853200 CPU: 2562.19, 0.00305804/step Wall: 2562.19, 0.00305804/step, 3.52252 hours remaining, 209.832031 MB of memory in use. ENERGY: 853200 755.7758 2111.5527 1920.5519 116.7790 -206423.3495 18062.8452 0.0000 0.0000 34090.0559 -149365.7890 297.7169 -183455.8449 -149268.5202 298.4559 187.9298 226.1175 554991.9094 -12.9026 -12.7869 PRESSURE: 853400 81.0333 127.387 -121.385 127.386 319.219 50.9071 -121.386 50.9079 149.871 GPRESSURE: 853400 106.932 263.583 -207.665 123.644 326.598 52.6448 -68.6459 124.417 221.992 PRESSAVG: 853400 -17.6655 -12.5515 -38.973 -12.5516 25.3622 33.1677 -38.9729 33.1678 -14.4516 GPRESSAVG: 853400 -17.9399 -12.9133 -37.8543 -12.4011 25.3514 33.0374 -38.1584 33.8291 -13.966 TIMING: 853400 CPU: 2562.79, 0.00301638/step Wall: 2562.79, 0.00301638/step, 3.47437 hours remaining, 209.832031 MB of memory in use. ENERGY: 853400 753.8623 2113.1826 1930.1944 107.1630 -206802.1703 18201.0007 0.0000 0.0000 34287.7800 -149408.9874 299.4437 -183696.7674 -149311.3685 298.7408 183.3744 218.5075 555248.8630 -2.2516 -2.1848 PRESSURE: 853600 -229.616 1.73411 -69.4177 1.73408 48.0989 -116.761 -69.4179 -116.761 139.558 GPRESSURE: 853600 -177.36 83.8504 -26.3532 34.4116 108.55 -93.6063 14.2886 -84.562 130.888 PRESSAVG: 853600 25.9148 -10.8013 -47.0615 -10.8013 -15.2722 -30.8589 -47.0615 -30.8589 -31.6145 GPRESSAVG: 853600 25.7098 -12.737 -49.5089 -10.9609 -14.532 -29.7591 -45.104 -31.4556 -32.3302 TIMING: 853600 CPU: 2563.4, 0.00302706/step Wall: 2563.4, 0.00302706/step, 3.4865 hours remaining, 209.832031 MB of memory in use. ENERGY: 853600 768.1754 2039.1733 1921.8997 110.4314 -205882.1265 17533.9310 0.0000 0.0000 34258.1664 -149250.3493 299.1851 -183508.5156 -149158.5640 298.6957 -13.9866 20.6924 556260.2166 -6.9906 -7.0508 PRESSURE: 853800 -216.55 111.009 107.045 111.007 -236.307 72.44 107.046 72.4393 -383.454 GPRESSURE: 853800 -198.284 84.188 88.0359 211.313 -200.372 -33.3496 193.173 8.35481 -338.209 PRESSAVG: 853800 18.3564 19.7649 48.4035 19.7648 -19.6729 -44.9304 48.4035 -44.9304 -0.517335 GPRESSAVG: 853800 18.7601 18.7944 48.5567 20.634 -19.6264 -44.3538 48.8362 -45.969 -0.405799 TIMING: 853800 CPU: 2564, 0.00302653/step Wall: 2564, 0.00302653/step, 3.48572 hours remaining, 209.832031 MB of memory in use. ENERGY: 853800 769.3062 2088.2469 1926.1373 110.5048 -205377.5703 17337.3758 0.0000 0.0000 33947.3216 -149198.6777 296.4704 -183145.9993 -149100.4659 299.2947 -278.7707 -245.6216 557614.4869 -0.6113 -0.4240 PRESSURE: 854000 -199.259 -83.6055 83.4781 -83.6046 -152.463 -8.80822 83.4767 -8.80774 -119.476 GPRESSURE: 854000 -192.926 -98.4837 40.7322 -31.3291 -119.051 72.0955 175.191 -29.8249 -67.5583 PRESSAVG: 854000 -0.617627 -41.8165 50.66 -41.8165 -25.4415 35.1033 50.66 35.1032 30.4673 GPRESSAVG: 854000 0.159696 -39.3743 54.0636 -41.4614 -26.585 34.2123 46.7325 35.8752 31.227 TIMING: 854000 CPU: 2564.61, 0.00301208/step Wall: 2564.61, 0.00301208/step, 3.46892 hours remaining, 209.832031 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: 854000 761.3614 2144.8153 1928.9029 113.9820 -205716.7987 17562.7769 0.0000 0.0000 34202.6723 -149002.2878 298.7004 -183204.9601 -148901.6819 299.1902 -157.0662 -126.5120 557642.9385 1.4694 1.6006 PRESSURE: 854200 125.644 -40.9023 -173.898 -40.9021 47.2509 -154.985 -173.898 -154.984 -158.597 GPRESSURE: 854200 132.823 1.53201 -163.421 -64.3149 75.458 -187.251 -193.975 -190.275 -106.738 PRESSAVG: 854200 -15.1342 17.422 -19.3598 17.422 -20.8261 -69.693 -19.3599 -69.6929 8.80287 GPRESSAVG: 854200 -14.9014 15.7211 -20.7091 16.9092 -20.7648 -69.5288 -15.7856 -69.7425 8.24908 TIMING: 854200 CPU: 2565.21, 0.00299446/step Wall: 2565.21, 0.00299446/step, 3.44845 hours remaining, 209.832031 MB of memory in use. ENERGY: 854200 735.5093 2131.3656 1917.0801 108.7972 -205945.5620 17669.6845 0.0000 0.0000 34337.4593 -149045.6661 299.8776 -183383.1253 -148942.3704 299.5149 4.7659 33.8477 556538.3700 -9.0525 -9.1390 PRESSURE: 854400 -111.661 -9.77864 -17.0639 -9.77933 30.574 -83.4215 -17.0647 -83.421 -109.703 GPRESSURE: 854400 -53.6223 -26.9513 -44.3245 50.6656 52.5349 -28.8106 -2.3761 -62.2741 -82.2286 PRESSAVG: 854400 9.8961 47.3817 14.759 47.3817 13.5294 38.4593 14.7589 38.4594 -46.9343 GPRESSAVG: 854400 10.1424 48.3917 13.5749 47.2417 13.1922 38.8033 11.9056 37.2454 -46.0912 TIMING: 854400 CPU: 2565.8, 0.00298794/step Wall: 2565.8, 0.00298794/step, 3.44077 hours remaining, 209.832031 MB of memory in use. ENERGY: 854400 762.8651 2043.0891 1913.6506 128.1986 -205878.0218 17658.0415 0.0000 0.0000 34302.8274 -149069.3495 299.5751 -183372.1769 -148972.9931 299.6275 -63.5965 -27.7720 558179.4004 -7.8363 -7.5855 PRESSURE: 854600 -72.2053 -65.5354 156.535 -65.5379 -165.029 -124.232 156.535 -124.232 -236.869 GPRESSURE: 854600 -139.366 -65.5367 133.547 -94.0486 -89.5046 -61.9787 154.647 -188.114 -140.037 PRESSAVG: 854600 -14.9 -54.1942 46.1409 -54.1943 23.3428 31.4817 46.141 31.4818 45.741 GPRESSAVG: 854600 -14.9822 -55.7844 45.8439 -53.4303 24.7757 32.1323 46.4357 31.9381 44.8325 TIMING: 854600 CPU: 2566.4, 0.00298/step Wall: 2566.4, 0.00298/step, 3.43147 hours remaining, 209.832031 MB of memory in use. ENERGY: 854600 699.9387 2075.3053 1958.2172 103.5659 -205701.8553 17496.9164 0.0000 0.0000 34337.1500 -149030.7618 299.8749 -183367.9118 -148940.8776 299.3863 -158.0345 -122.9692 557712.3588 18.0613 18.2087 PRESSURE: 854800 -223.398 -53.2819 -25.6583 -53.2838 -138.671 58.9591 -25.6582 58.9592 -389.43 GPRESSURE: 854800 -166.598 -223.533 -95.1198 -32.6649 -138.973 -19.6664 36.4117 74.2602 -350.722 PRESSAVG: 854800 61.3975 -5.17117 14.3384 -5.17124 16.1014 14.3811 14.3383 14.3812 -35.6269 GPRESSAVG: 854800 61.0603 -3.64546 15.463 -7.24215 15.6328 13.797 14.9917 14.6856 -34.8897 TIMING: 854800 CPU: 2567, 0.00298834/step Wall: 2567, 0.00298834/step, 3.44091 hours remaining, 209.902344 MB of memory in use. ENERGY: 854800 777.1590 2056.2436 1926.1165 116.2249 -205689.1540 17545.1419 0.0000 0.0000 34107.1144 -149161.1537 297.8659 -183268.2682 -149071.1162 299.2668 -250.4994 -218.7643 559054.7928 13.9574 13.9345 PRESSURE: 855000 76.7777 31.5091 10.8583 31.5083 27.6002 -47.8897 10.8566 -47.8895 -42.0133 GPRESSURE: 855000 137.845 153.354 18.7149 24.469 77.8898 12.3639 -56.1318 -120.993 -53.948 PRESSAVG: 855000 56.0408 -6.72371 -17.6853 -6.72366 -1.53172 -2.06455 -17.6854 -2.0646 3.4339 GPRESSAVG: 855000 56.5154 -5.67416 -18.2126 -7.62029 -0.94593 -2.40572 -17.3141 -1.0227 2.62369 TIMING: 855000 CPU: 2567.59, 0.00297212/step Wall: 2567.59, 0.00297212/step, 3.42207 hours remaining, 209.902344 MB of memory in use. ENERGY: 855000 717.7757 2100.6565 1939.6817 113.8373 -205987.1253 17837.4770 0.0000 0.0000 34175.8850 -149101.8120 298.4665 -183277.6971 -149001.8577 298.7078 20.7882 53.9288 558018.9145 19.3143 19.3977 PRESSURE: 855200 -108.127 8.83768 -193.003 8.83721 49.3344 -0.586545 -193.004 -0.586685 311.401 GPRESSURE: 855200 -52.1981 -16.2344 -229.735 -22.6347 45.7946 -32.4589 -209.395 -47.2092 351.304 PRESSAVG: 855200 29.0956 25.5232 -24.4228 25.5232 -3.77782 -1.2252 -24.4228 -1.22513 -27.9928 GPRESSAVG: 855200 29.47 24.3088 -23.0453 27.6024 -4.72633 -0.707441 -25.8713 -3.45337 -27.9439 TIMING: 855200 CPU: 2568.19, 0.00299555/step Wall: 2568.19, 0.00299555/step, 3.44888 hours remaining, 209.902344 MB of memory in use. ENERGY: 855200 728.7388 2094.3330 1935.9990 107.8651 -205865.1141 17786.8365 0.0000 0.0000 34285.2119 -148926.1298 299.4213 -183211.3417 -148833.3996 299.4970 84.2028 114.9669 557869.7939 -0.8917 -1.0668 PRESSURE: 855400 -284.752 101.489 27.0711 101.487 -113.397 -41.9605 27.0712 -41.9613 9.15988 GPRESSURE: 855400 -222.024 -22.1518 38.6352 155.625 -51.1345 -15.7907 -14.8496 -57.4611 -18.7532 PRESSAVG: 855400 -7.43868 -1.20098 -33.3467 -1.20096 -10.4921 -1.47548 -33.3469 -1.47546 28.4768 GPRESSAVG: 855400 -8.52426 -1.24228 -36.8991 -2.15229 -10.2314 -2.62085 -33.0899 0.488117 29.6121 TIMING: 855400 CPU: 2568.79, 0.00299989/step Wall: 2568.79, 0.00299989/step, 3.4537 hours remaining, 209.902344 MB of memory in use. ENERGY: 855400 719.1814 2050.9070 1938.5977 117.9629 -205800.8168 17528.0065 0.0000 0.0000 34433.8196 -149012.3417 300.7191 -183446.1613 -148910.3687 300.2730 -129.6631 -97.3039 558688.3837 3.5153 3.6188 PRESSURE: 855600 -108.154 -56.5973 59.3033 -56.5973 26.6915 -46.5713 59.304 -46.5709 214.554 GPRESSURE: 855600 -74.2645 -159.988 31.1509 -1.92645 26.6601 -20.5379 112.14 -67.0218 273.146 PRESSAVG: 855600 -14.6017 -14.7659 1.19465 -14.7659 -39.7388 -9.72755 1.19474 -9.72755 30.6341 GPRESSAVG: 855600 -14.7336 -14.4203 1.78471 -14.6517 -39.9235 -10.1266 2.13324 -9.6754 31.3098 TIMING: 855600 CPU: 2569.39, 0.00298068/step Wall: 2569.39, 0.00298068/step, 3.43142 hours remaining, 209.902344 MB of memory in use. ENERGY: 855600 755.8907 2004.9238 1938.6320 120.0820 -205990.3656 17890.1059 0.0000 0.0000 34323.7156 -148957.0156 299.7575 -183280.7312 -148862.2462 300.4922 44.3639 75.1806 557646.1926 -7.9022 -7.7824 PRESSURE: 855800 -238.225 21.2807 -0.170402 21.2807 67.7095 128.475 -0.169976 128.475 -55.7571 GPRESSURE: 855800 -171.351 -15.9743 20.5144 23.4067 41.0637 48.4235 1.69173 215.787 1.69953 PRESSAVG: 855800 37.6257 28.3127 34.432 28.3127 -37.525 -6.99767 34.4318 -6.99763 15.6533 GPRESSAVG: 855800 38.7491 26.7137 35.048 27.8514 -37.4508 -7.15517 33.1181 -7.11855 13.9882 TIMING: 855800 CPU: 2569.99, 0.00300582/step Wall: 2569.99, 0.00300582/step, 3.4602 hours remaining, 209.902344 MB of memory in use. ENERGY: 855800 741.8245 2108.5679 1905.7903 122.7020 -205929.7295 17745.4151 0.0000 0.0000 34337.4351 -148967.9946 299.8774 -183305.4296 -148867.3358 299.8008 -75.4241 -42.8627 557153.8252 5.2513 5.0955 PRESSURE: 856000 133.131 -42.8172 45.6739 -42.8178 218.844 11.0817 45.6745 11.0818 -41.7195 GPRESSURE: 856000 180.209 -96.7487 107.472 32.9951 229.608 29.5945 -12.6519 -33.9904 -6.75857 PRESSAVG: 856000 -8.83299 19.7968 29.886 19.7968 6.31276 -13.836 29.8859 -13.8359 15.871 GPRESSAVG: 856000 -9.42608 19.7317 31.6194 21.9451 6.22718 -12.9581 30.3617 -13.9118 16.7112 TIMING: 856000 CPU: 2570.58, 0.00298466/step Wall: 2570.58, 0.00298466/step, 3.43568 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: 856000 756.5091 2057.0657 1928.9678 99.2305 -206081.9087 18034.3059 0.0000 0.0000 34174.1458 -149031.6840 298.4513 -183205.8298 -148941.1227 299.9786 103.4185 134.3528 557024.2125 4.4502 4.5041 PRESSURE: 856200 -71.3775 -40.7264 52.5702 -40.7253 110.332 -90.9695 52.5712 -90.9689 -311.457 GPRESSURE: 856200 -34.3715 27.9774 69.1765 -17.3772 176.576 -74.3397 35.9263 -39.4271 -322.518 PRESSAVG: 856200 -45.2134 24.6232 16.3233 24.6232 89.3669 0.219878 16.3233 0.220006 -76.6767 GPRESSAVG: 856200 -44.8459 25.5885 13.2001 24.3825 89.4055 0.152351 17.3791 -0.0186102 -76.9419 TIMING: 856200 CPU: 2571.18, 0.00299128/step Wall: 2571.18, 0.00299128/step, 3.44312 hours remaining, 209.902344 MB of memory in use. ENERGY: 856200 793.6340 2075.8482 1931.3219 119.8886 -205903.9000 17796.6943 0.0000 0.0000 34156.8170 -149029.6960 298.3000 -183186.5130 -148935.6948 299.2233 -90.8341 -60.1044 557329.1753 -10.8411 -10.7941 LDB: ============= START OF LOAD BALANCING ============== 2574.7 LDB: ============== END OF LOAD BALANCING =============== 2574.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2574.7 LDB: ============= START OF LOAD BALANCING ============== 2575.01 LDB: Largest compute 4800 load 0.030583 is 26.0% of average load 0.117829 LDB: Average compute 0.001731 is 1.5% of average load 0.117829 LDB: TIME 2575.01 LOAD: AVG 0.117829 MAX 0.207109 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.25 MB LDB: TIME 2575.01 LOAD: AVG 0.117829 MAX 0.207109 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.348 MB LDB: TIME 2575.01 LOAD: AVG 0.117829 MAX 0.207109 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.348 MB LDB: ============== END OF LOAD BALANCING =============== 2575.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2575.01 PRESSURE: 856400 165.452 100.33 -67.9848 100.329 8.27893 28.7772 -67.984 28.778 -38.11 GPRESSURE: 856400 137.743 97.9624 -40.5855 180.263 76.0186 22.8211 -52.1912 -9.99158 14.551 PRESSAVG: 856400 34.4253 -12.4081 -34.2024 -12.4081 41.1752 1.71959 -34.2024 1.71968 -59.4649 GPRESSAVG: 856400 33.8496 -11.7092 -29.1524 -12.5154 41.6438 2.54598 -37.449 1.94495 -59.3474 TIMING: 856400 CPU: 2571.8, 0.00307646/step Wall: 2571.8, 0.00307646/step, 3.54101 hours remaining, 208.800781 MB of memory in use. ENERGY: 856400 752.8928 2060.5638 1903.1071 124.1301 -206134.1014 17898.1780 0.0000 0.0000 34521.2760 -148873.9536 301.4829 -183395.2296 -148779.6219 299.9818 45.2069 76.1042 556626.4199 5.3785 5.3820 PRESSURE: 856600 44.6398 113.387 29.7824 113.387 -134.598 74.0939 29.7823 74.0929 87.9188 GPRESSURE: 856600 45.9905 152.141 5.23187 69.4436 -90.5693 125.475 51.1036 -74.0799 153.504 PRESSAVG: 856600 62.2272 12.6968 13.2471 12.6967 -58.3524 -2.34064 13.2471 -2.34064 -8.06506 GPRESSAVG: 856600 63.0257 14.6037 8.97338 10.284 -58.8403 -3.2945 14.7984 -2.54429 -8.05129 TIMING: 856600 CPU: 2572.4, 0.00303035/step Wall: 2572.4, 0.00303035/step, 3.48776 hours remaining, 208.800781 MB of memory in use. ENERGY: 856600 769.2288 2020.2952 1912.6740 116.1701 -205994.8013 17653.9287 0.0000 0.0000 34551.2541 -148971.2506 301.7447 -183522.5046 -148865.4834 300.4705 -0.6798 36.3084 556342.6252 -1.3967 -1.2886 PRESSURE: 856800 41.3577 -20.8061 92.0107 -20.8059 99.2243 65.0265 92.0114 65.0262 29.6707 GPRESSURE: 856800 80.9341 -109.469 53.1108 3.06314 148.841 134.398 155.023 3.45034 32.5235 PRESSAVG: 856800 -11.4324 -15.4556 -21.2632 -15.4556 40.8158 5.74721 -21.2632 5.74734 37.9464 GPRESSAVG: 856800 -11.3763 -17.1703 -19.6423 -15.8555 39.5714 5.33599 -22.1349 5.67937 39.7609 TIMING: 856800 CPU: 2573.01, 0.00302744/step Wall: 2573.01, 0.00302744/step, 3.48425 hours remaining, 208.800781 MB of memory in use. ENERGY: 856800 738.1305 2096.8689 1930.2804 123.5162 -206415.5587 18017.2589 0.0000 0.0000 34248.2110 -149261.2928 299.0981 -183509.5038 -149161.0933 299.5265 56.7509 87.4327 556663.6735 22.4433 22.6520 PRESSURE: 857000 120.448 -112.778 -80.7802 -112.778 54.4851 -21.8229 -80.78 -21.8229 -92.2912 GPRESSURE: 857000 137.837 -30.8995 -106.367 -173.053 38.091 120.951 -100.352 -60.2257 6.14334 PRESSAVG: 857000 -20.3321 -24.2391 -20.168 -24.2391 -6.85345 -10.4938 -20.168 -10.4937 -2.04933 GPRESSAVG: 857000 -20.3485 -23.1204 -21.3796 -21.535 -6.53444 -8.52201 -18.1938 -9.53518 -2.43939 TIMING: 857000 CPU: 2573.61, 0.00300561/step Wall: 2573.61, 0.00300561/step, 3.45896 hours remaining, 208.800781 MB of memory in use. ENERGY: 857000 733.9760 2121.8760 1913.2385 104.9276 -205987.7032 17737.3172 0.0000 0.0000 34263.7098 -149112.6581 299.2335 -183376.3678 -149021.6354 299.0293 27.5474 60.6905 557759.6561 -9.7450 -9.7741 PRESSURE: 857200 -19.0638 30.6945 174.048 30.6947 54.7425 55.7347 174.048 55.7351 99.3282 GPRESSURE: 857200 7.99877 40.1626 207.446 -14.7531 44.1639 71.0001 197.027 -37.3976 180.495 PRESSAVG: 857200 11.3747 27.3147 -49.1113 27.3147 4.19514 -29.8073 -49.1112 -29.8073 -5.91754 GPRESSAVG: 857200 11.0323 28.0589 -48.0242 23.4118 5.25677 -30.7657 -48.7498 -30.9897 -6.67422 TIMING: 857200 CPU: 2574.21, 0.0030087/step Wall: 2574.21, 0.0030087/step, 3.46235 hours remaining, 208.800781 MB of memory in use. ENERGY: 857200 746.4258 2049.2089 1955.3435 108.1166 -206406.8398 17883.7278 0.0000 0.0000 34456.6044 -149207.4128 300.9181 -183664.0172 -149113.1996 299.3892 45.0023 77.5525 556863.5918 3.2174 3.2050 PRESSURE: 857400 -80.6091 5.26388 -35.8479 5.26315 -547.083 132.478 -35.8478 132.478 -345.558 GPRESSURE: 857400 -20.2274 -39.1859 0.749627 12.8779 -525.268 35.7632 -13.5175 227.344 -327.84 PRESSAVG: 857400 23.8452 2.17771 5.63482 2.17775 23.7362 28.8439 5.63488 28.8438 -29.9455 GPRESSAVG: 857400 24.4173 -0.759864 3.81732 4.44846 23.7933 27.7782 7.28457 30.2458 -30.8732 TIMING: 857400 CPU: 2574.82, 0.00302414/step Wall: 2574.82, 0.00302414/step, 3.47994 hours remaining, 208.800781 MB of memory in use. ENERGY: 857400 783.3774 2122.0427 1940.4029 110.8463 -205968.5743 17534.9473 0.0000 0.0000 34125.4424 -149351.5152 298.0260 -183476.9577 -149248.9582 299.3655 -324.4167 -291.1118 558445.7217 5.8786 5.7791 PRESSURE: 857600 31.5099 -22.7329 -1.3142 -22.7327 -150.882 -78.864 -1.31443 -78.8643 151.842 GPRESSURE: 857600 82.0474 92.9229 -18.6086 -85.988 -125.736 -37.926 -7.55993 -125.317 169.654 PRESSAVG: 857600 86.795 -10.8488 -53.9263 -10.8487 -13.775 32.0791 -53.9263 32.0791 -66.2054 GPRESSAVG: 857600 86.8032 -8.72327 -52.8609 -10.8221 -13.8367 32.3907 -58.2742 31.8455 -66.0992 TIMING: 857600 CPU: 2575.43, 0.00305515/step Wall: 2575.43, 0.00305515/step, 3.51546 hours remaining, 208.800781 MB of memory in use. ENERGY: 857600 736.1132 2098.2840 1943.2148 103.0606 -206158.9740 17873.6420 0.0000 0.0000 34282.8231 -149121.8362 299.4004 -183404.6593 -149024.7889 299.1124 10.8234 41.9884 558093.0190 2.2715 2.2891 PRESSURE: 857800 -183.414 -135.484 71.8834 -135.485 -160.879 -95.6273 71.8834 -95.6281 134.011 GPRESSURE: 857800 -122.236 -84.4303 139.225 -168.166 -107.649 -123.417 -26.1775 -7.45074 125.427 PRESSAVG: 857800 49.4728 -74.8447 27.123 -74.8448 -36.0915 16.0431 27.1231 16.0432 37.0379 GPRESSAVG: 857800 48.8598 -74.2906 26.1933 -75.0774 -35.9046 14.289 30.7337 16.4325 37.6252 TIMING: 857800 CPU: 2576.04, 0.00304222/step Wall: 2576.04, 0.00304222/step, 3.50041 hours remaining, 208.800781 MB of memory in use. ENERGY: 857800 750.8763 2087.7144 1930.6024 113.6030 -206030.4742 17616.7526 0.0000 0.0000 34223.0947 -149307.8308 298.8788 -183530.9254 -149209.3368 299.3982 -70.0939 -34.8192 557051.6785 16.8064 16.8601 PRESSURE: 858000 350.122 -66.8543 100.755 -66.8535 77.9322 58.3167 100.755 58.3166 -43.2022 GPRESSURE: 858000 377.675 -41.2 145.186 -114.266 119.467 46.5378 5.13667 30.998 -8.62312 PRESSAVG: 858000 -12.2658 -57.6287 49.0691 -57.6286 47.6351 32.1407 49.069 32.1408 -19.0737 GPRESSAVG: 858000 -10.8124 -59.5668 48.3745 -58.9767 46.7892 32.3847 47.6261 30.6654 -19.7939 TIMING: 858000 CPU: 2576.64, 0.00301425/step Wall: 2576.64, 0.00301425/step, 3.46806 hours remaining, 208.800781 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: 858000 752.5734 2140.6359 1933.0500 117.9708 -206468.9965 18080.8367 0.0000 0.0000 34122.0327 -149321.8969 297.9962 -183443.9296 -149227.7983 298.9822 128.2841 162.8397 555771.3916 5.4319 5.3943 PRESSURE: 858200 20.6736 7.66408 -108.085 7.66369 -194.554 -109.363 -108.084 -109.361 -271.832 GPRESSURE: 858200 38.7435 76.5654 -197.408 49.7375 -125.243 -39.9866 -125.818 -132.504 -260.787 PRESSAVG: 858200 -4.03582 -0.185064 28.132 -0.185064 -4.61964 15.7372 28.132 15.7372 28.7822 GPRESSAVG: 858200 -5.27741 1.0925 29.3748 1.28083 -3.74679 17.7792 27.0607 17.3789 28.8041 TIMING: 858200 CPU: 2577.24, 0.0030165/step Wall: 2577.24, 0.0030165/step, 3.47048 hours remaining, 208.800781 MB of memory in use. ENERGY: 858200 752.5395 2144.1572 1931.5514 114.2971 -205769.7519 17456.1546 0.0000 0.0000 34153.6062 -149217.4459 298.2719 -183371.0521 -149121.2263 298.9729 -148.5707 -115.7623 556592.4940 6.7089 6.5933 PRESSURE: 858400 121.219 80.6497 -46.3604 80.6517 -243.551 -58.6184 -46.3615 -58.6179 192.397 GPRESSURE: 858400 100.662 120.146 -31.255 79.9784 -144.806 47.6941 -42.1963 -30.1285 219.591 PRESSAVG: 858400 -59.8682 41.1318 -42.1293 41.1317 -57.4095 -17.8434 -42.1292 -17.8435 76.8972 GPRESSAVG: 858400 -59.8261 38.5669 -41.2684 42.6231 -56.3362 -19.0543 -40.9449 -17.8101 76.1906 TIMING: 858400 CPU: 2577.85, 0.00301328/step Wall: 2577.85, 0.00301328/step, 3.46661 hours remaining, 208.800781 MB of memory in use. ENERGY: 858400 755.4893 2100.4352 1935.5111 104.8996 -206284.3535 17745.4834 0.0000 0.0000 34462.9997 -149179.5352 300.9739 -183642.5349 -149084.4147 299.6200 23.3549 58.4823 556659.4815 -13.4602 -13.3239 PRESSURE: 858600 176.746 -208.548 -81.8115 -208.548 119.176 -165.362 -81.8106 -165.362 164.35 GPRESSURE: 858600 189.463 -173.932 -109.395 -212.661 153.606 -164.668 26.2931 -270.425 221.518 PRESSAVG: 858600 -23.1135 19.4102 -62.0086 19.4102 -63.8231 -52.376 -62.0087 -52.376 60.0101 GPRESSAVG: 858600 -23.6109 19.756 -61.9923 18.3708 -64.6676 -53.0811 -62.1442 -53.7807 61.1468 TIMING: 858600 CPU: 2578.44, 0.00299488/step Wall: 2578.44, 0.00299488/step, 3.44527 hours remaining, 208.800781 MB of memory in use. ENERGY: 858600 765.9320 2070.1975 1915.8750 116.3866 -206449.3741 18090.4066 0.0000 0.0000 34351.8525 -149138.7240 300.0033 -183490.5765 -149040.7461 299.5020 153.4243 188.1957 556544.6463 -8.9755 -9.0439 PRESSURE: 858800 -11.0134 143.756 17.5855 143.756 244.344 -23.5263 17.5861 -23.526 111.551 GPRESSURE: 858800 130.87 250.171 0.542125 101.515 231.803 -111.174 36.3097 0.805768 89.2546 PRESSAVG: 858800 22.0236 83.8463 15.4033 83.8463 55.0837 -72.5741 15.4032 -72.5741 -1.55876 GPRESSAVG: 858800 22.0909 85.8808 15.7549 84.1308 54.6208 -69.9188 14.8868 -74.0653 -0.908148 TIMING: 858800 CPU: 2579.05, 0.0030233/step Wall: 2579.05, 0.0030233/step, 3.4778 hours remaining, 208.800781 MB of memory in use. ENERGY: 858800 781.1480 2164.4518 1930.6743 110.9450 -206121.8598 17900.1589 0.0000 0.0000 34274.5954 -148959.8864 299.3286 -183234.4818 -148860.3808 300.3095 114.9604 150.6423 556528.6432 25.1828 25.2679 PRESSURE: 859000 -186.848 2.60787 -60.9838 2.60746 -98.9933 78.251 -60.9843 78.2517 -29.7695 GPRESSURE: 859000 -88.7509 -48.1884 -73.8435 -32.7839 -84.9693 53.9744 -87.1233 142.003 -43.2143 PRESSAVG: 859000 54.1465 27.303 -15.4023 27.303 -72.5196 22.1221 -15.4023 22.1222 31.4195 GPRESSAVG: 859000 54.7722 27.0414 -15.1891 26.1219 -71.9427 19.9713 -16.5973 25.2613 30.8665 TIMING: 859000 CPU: 2579.65, 0.00299494/step Wall: 2579.65, 0.00299494/step, 3.44501 hours remaining, 208.800781 MB of memory in use. ENERGY: 859000 732.7184 2110.5826 1928.9780 112.0733 -205928.8713 17406.9605 0.0000 0.0000 34617.8779 -149019.6804 302.3265 -183637.5584 -148918.5038 300.5199 -105.2035 -72.3115 555747.5842 4.3488 4.5653 PRESSURE: 859200 -254.568 -33.9173 4.46681 -33.9178 -158.826 4.9992 4.46718 4.99867 -394.004 GPRESSURE: 859200 -261.996 -2.56359 27.191 -18.1049 -107.513 -30.3475 -52.9588 29.6104 -333.921 PRESSAVG: 859200 13.7695 -0.623945 2.51782 -0.624044 35.4548 19.9837 2.51778 19.9836 -39.7152 GPRESSAVG: 859200 13.726 0.597871 2.06806 -0.147887 34.9503 19.8111 2.59988 17.6186 -39.2772 TIMING: 859200 CPU: 2580.25, 0.00300842/step Wall: 2580.25, 0.00300842/step, 3.46035 hours remaining, 208.800781 MB of memory in use. ENERGY: 859200 775.0039 2068.6360 1946.9927 112.1476 -205639.0713 17379.9761 0.0000 0.0000 34316.5077 -149039.8074 299.6946 -183356.3151 -148942.7129 300.0303 -269.1326 -234.4766 557874.7509 3.1697 3.1330 PRESSURE: 859400 40.0528 86.9522 26.6642 86.9516 92.1772 78.2229 26.6652 78.2235 -9.51918 GPRESSURE: 859400 77.3358 150.487 -13.4466 144.854 121.629 28.0471 4.74844 109.425 21.8164 PRESSAVG: 859400 -32.6967 -29.8538 -7.74136 -29.8538 43.2252 -32.2708 -7.74142 -32.2708 -41.0089 GPRESSAVG: 859400 -32.8073 -30.5318 -8.05313 -30.6883 43.6865 -32.1798 -6.87778 -31.215 -41.8387 TIMING: 859400 CPU: 2580.85, 0.00298485/step Wall: 2580.85, 0.00298485/step, 3.43307 hours remaining, 208.800781 MB of memory in use. ENERGY: 859400 753.5661 2074.9892 1959.0893 110.7666 -206391.2347 17971.4676 0.0000 0.0000 34316.7500 -149204.6059 299.6967 -183521.3559 -149103.4628 299.7456 40.9036 73.5937 557677.1092 -10.1601 -10.3199 PRESSURE: 859600 23.1662 -124.075 -37.3152 -124.077 -103.517 -73.0814 -37.3159 -73.0824 -76.258 GPRESSURE: 859600 30.6042 -139.016 72.1603 -68.1169 -50.9058 -25.5008 -85.9277 -122.928 -35.2528 PRESSAVG: 859600 20.2782 15.8169 22.9159 15.8169 -10.7407 -32.0671 22.916 -32.0672 -34.9942 GPRESSAVG: 859600 21.357 15.4873 26.2771 17.5111 -11.3316 -30.4641 21.3407 -33.1103 -35.5391 TIMING: 859600 CPU: 2581.45, 0.00299317/step Wall: 2581.45, 0.00299317/step, 3.44248 hours remaining, 208.800781 MB of memory in use. ENERGY: 859600 761.9737 2073.1201 1946.3111 105.8860 -205985.5565 17657.0947 0.0000 0.0000 34247.7390 -149193.4320 299.0940 -183441.1711 -149093.3524 299.3694 -52.2029 -18.5181 558233.6543 -8.4855 -8.5046 PRESSURE: 859800 105.299 11.8681 127.003 11.8682 -109.507 -21.7568 127.004 -21.7574 -72.1549 GPRESSURE: 859800 112.849 33.9803 189.982 -42.096 -57.0824 -48.5158 73.5561 -16.4376 -40.5264 PRESSAVG: 859800 42.3382 -34.101 21.6874 -34.1011 -62.8163 -66.395 21.6874 -66.395 15.5127 GPRESSAVG: 859800 41.6729 -34.8594 19.0381 -35.5699 -63.4699 -67.5845 22.5264 -67.1137 16.7957 TIMING: 859800 CPU: 2582.05, 0.00302516/step Wall: 2582.05, 0.00302516/step, 3.47911 hours remaining, 208.800781 MB of memory in use. ENERGY: 859800 786.0067 2087.1175 1954.1715 107.9525 -206301.1256 17897.5641 0.0000 0.0000 34153.7699 -149314.5434 298.2734 -183468.3133 -149218.5784 298.7604 -25.4543 5.0800 558195.5201 -1.6552 -1.6671 PRESSURE: 860000 -195.336 56.957 -111.315 56.957 -167.235 42.3185 -111.314 42.319 -191.051 GPRESSURE: 860000 -213.872 105.338 -45.7193 -0.953987 -143.002 81.1325 -119.985 -22.6949 -93.9313 PRESSAVG: 860000 33.6204 24.9597 -12.9406 24.9597 4.56698 -2.74644 -12.9405 -2.74645 -53.6894 GPRESSAVG: 860000 32.9879 25.7531 -13.5187 23.4388 4.78232 -2.3045 -12.0028 -0.877446 -53.0334 TIMING: 860000 CPU: 2582.65, 0.0029978/step Wall: 2582.65, 0.0029978/step, 3.44747 hours remaining, 208.800781 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: 860000 773.0022 2156.8239 1915.7423 115.9648 -206279.4556 17803.7246 0.0000 0.0000 34296.5882 -149217.6095 299.5206 -183514.1977 -149118.3279 299.8330 -184.5406 -150.2684 558281.2420 -5.1673 -5.0877 PRESSURE: 860200 -38.4212 -41.9464 134.165 -41.9463 -150.071 85.1645 134.165 85.1647 228.275 GPRESSURE: 860200 63.283 -2.19196 132.278 -38.3679 -163.419 74.3858 119.118 192.958 242.383 PRESSAVG: 860200 36.0939 -58.192 -43.8104 -58.192 -7.18263 16.6422 -43.8104 16.6422 8.22086 GPRESSAVG: 860200 36.1288 -59.0589 -44.2283 -56.6616 -6.25064 17.9597 -44.2666 14.9548 6.75025 TIMING: 860200 CPU: 2583.25, 0.00298174/step Wall: 2583.25, 0.00298174/step, 3.42883 hours remaining, 208.800781 MB of memory in use. ENERGY: 860200 740.5575 2104.8467 1948.8893 105.1594 -206327.8129 17897.0798 0.0000 0.0000 34185.1924 -149346.0878 298.5478 -183531.2801 -149241.9513 299.3774 13.2609 47.4158 559128.9522 12.3774 12.2095 LDB: ============= START OF LOAD BALANCING ============== 2586.76 LDB: ============== END OF LOAD BALANCING =============== 2586.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2586.76 LDB: ============= START OF LOAD BALANCING ============== 2587.06 LDB: Largest compute 4800 load 0.029711 is 25.2% of average load 0.117887 LDB: Average compute 0.001733 is 1.5% of average load 0.117887 LDB: TIME 2587.06 LOAD: AVG 0.117887 MAX 0.208958 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.953 MB LDB: TIME 2587.06 LOAD: AVG 0.117887 MAX 0.208958 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.156 MB LDB: TIME 2587.06 LOAD: AVG 0.117887 MAX 0.208958 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.156 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2587.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2587.07 PRESSURE: 860400 177.699 -32.1801 106.238 -32.1811 -154.317 -39.1854 106.238 -39.184 -83.4294 GPRESSURE: 860400 225.929 -38.4391 121.483 -4.78201 -145.251 -13.8511 51.0633 -94.3331 -40.4577 PRESSAVG: 860400 8.36052 -59.123 -1.61324 -59.1231 -4.70228 -2.51355 -1.61323 -2.5135 -33.6654 GPRESSAVG: 860400 8.21891 -58.3564 -0.265233 -60.3341 -4.64824 -3.93415 -0.712413 -0.737219 -33.5167 TIMING: 860400 CPU: 2583.85, 0.00303725/step Wall: 2583.85, 0.00303725/step, 3.49249 hours remaining, 208.476562 MB of memory in use. ENERGY: 860400 739.6578 2130.7355 1944.5898 111.1473 -206275.9673 17813.0175 0.0000 0.0000 34291.0916 -149245.7279 299.4726 -183536.8195 -149152.0213 299.2352 -20.0157 13.4067 558514.7787 -10.0024 -9.9820 PRESSURE: 860600 -274.229 -29.8297 41.7949 -29.8305 -60.5805 119.835 41.7943 119.836 91.3721 GPRESSURE: 860600 -225.455 -90.8035 62.5845 95.8657 0.351347 104.213 57.3343 89.7615 80.4077 PRESSAVG: 860600 14.5805 -24.3889 -10.2559 -24.3888 -32.6274 10.7354 -10.256 10.7352 -0.240602 GPRESSAVG: 860600 14.6033 -24.7163 -11.3756 -23.7936 -32.4648 11.482 -10.0284 9.91868 -0.50176 TIMING: 860600 CPU: 2584.45, 0.00298594/step Wall: 2584.45, 0.00298594/step, 3.43334 hours remaining, 208.546875 MB of memory in use. ENERGY: 860600 748.2347 2077.6529 1948.4042 105.1165 -206320.4148 17816.3071 0.0000 0.0000 34377.7534 -149246.9459 300.2295 -183624.6993 -149143.4162 299.6641 -81.1459 -48.2319 558290.1451 -6.0958 -6.1211 PRESSURE: 860800 36.3478 171.687 90.9164 171.686 -316.413 121.062 90.916 121.062 8.11434 GPRESSURE: 860800 51.5851 168.68 63.2217 147.753 -287.827 130.192 60.0419 86.1983 47.9332 PRESSAVG: 860800 -9.72339 -4.28011 20.7139 -4.28014 -23.2956 5.75769 20.7138 5.75766 46.5812 GPRESSAVG: 860800 -8.77564 -5.66202 20.5214 -3.95003 -24.4942 5.29454 19.9974 4.41926 46.0244 TIMING: 860800 CPU: 2585.05, 0.00301621/step Wall: 2585.05, 0.00301621/step, 3.46797 hours remaining, 208.546875 MB of memory in use. ENERGY: 860800 784.6437 2109.0937 1923.7050 118.9540 -206226.4606 17769.7800 0.0000 0.0000 34393.0438 -149127.2403 300.3630 -183520.2841 -149032.6879 298.7594 -90.6503 -62.7695 558819.5046 4.5207 4.2515 PRESSURE: 861000 -131.666 173.677 6.0906 173.677 -348.284 56.7164 6.09073 56.7173 -107.457 GPRESSURE: 861000 -139.408 171.685 -22.895 258.359 -300.342 155.371 2.03923 77.2019 -51.1653 PRESSAVG: 861000 64.2562 30.1534 48.9021 30.1534 -123.373 -18.8386 48.9021 -18.8386 65.8134 GPRESSAVG: 861000 62.5254 30.9904 51.3505 31.6616 -121.649 -17.7751 49.5367 -19.5588 65.6126 TIMING: 861000 CPU: 2585.66, 0.00303/step Wall: 2585.66, 0.00303/step, 3.48366 hours remaining, 208.546875 MB of memory in use. ENERGY: 861000 741.4252 2124.8833 1954.8142 111.3357 -205841.0589 17564.9290 0.0000 0.0000 34172.5836 -149171.0878 298.4377 -183343.6714 -149071.4163 299.4891 -195.8025 -163.6383 558999.1328 2.2323 2.1631 PRESSURE: 861200 97.0089 -136.174 39.4142 -136.172 -9.52712 20.7481 39.414 20.7486 8.80872 GPRESSURE: 861200 180.672 -133.986 24.9763 -170.273 35.8366 2.61637 79.5063 -32.8705 -21.5144 PRESSAVG: 861200 34.9961 19.617 -11.5715 19.6171 -8.22572 13.4533 -11.5716 13.4533 9.68863 GPRESSAVG: 861200 34.6457 19.539 -12.5164 18.4497 -8.38019 12.3367 -11.9918 15.4784 9.95754 TIMING: 861200 CPU: 2586.26, 0.00298767/step Wall: 2586.26, 0.00298767/step, 3.43482 hours remaining, 208.546875 MB of memory in use. ENERGY: 861200 763.0445 2077.9525 1953.5159 118.9977 -206462.8538 17945.8412 0.0000 0.0000 34191.2357 -149412.2663 298.6006 -183603.5020 -149316.2036 299.4531 32.0968 64.9981 557338.2688 12.1530 12.0743 PRESSURE: 861400 105.74 110.188 77.5332 110.188 183.103 41.0096 77.5338 41.0072 65.8748 GPRESSURE: 861400 126.985 165.029 59.8778 133.702 171.179 34.6695 15.8081 145.258 157.567 PRESSAVG: 861400 -1.15785 -20.1089 12.5842 -20.1088 -28.54 4.90131 12.5841 4.90138 37.3508 GPRESSAVG: 861400 -1.79304 -20.1715 9.91761 -20.3253 -29.0426 3.77264 14.2661 4.76288 38.613 TIMING: 861400 CPU: 2586.86, 0.00299778/step Wall: 2586.86, 0.00299778/step, 3.44628 hours remaining, 208.546875 MB of memory in use. ENERGY: 861400 750.7917 2045.9261 1948.5108 111.6075 -206633.8622 18036.5425 0.0000 0.0000 34246.4049 -149494.0787 299.0824 -183740.4835 -149389.3456 298.2978 118.2396 151.9102 556357.2856 2.5510 2.5924 PRESSURE: 861600 -153.06 12.9587 169.785 12.9587 -79.5418 -103.083 169.786 -103.082 18.5497 GPRESSURE: 861600 -130.942 6.31267 162.013 33.0224 -78.4788 -128.757 214.277 -23.8592 96.1191 PRESSAVG: 861600 47.6714 1.63747 3.99012 1.63745 -20.3658 -34.9444 3.99004 -34.9446 -5.13159 GPRESSAVG: 861600 49.3083 3.20587 5.16864 2.17963 -20.4382 -33.7928 1.96852 -33.3268 -6.90003 TIMING: 861600 CPU: 2587.46, 0.00300191/step Wall: 2587.46, 0.00300191/step, 3.45086 hours remaining, 208.546875 MB of memory in use. ENERGY: 861600 762.1621 2123.9582 1946.4594 113.6380 -206427.8873 17856.7095 0.0000 0.0000 34189.7181 -149435.2421 298.5873 -183624.9602 -149339.2182 298.3060 -71.3505 -37.7672 557195.6879 7.3913 7.3234 PRESSURE: 861800 -68.9361 -17.5263 10.8278 -17.5265 -64.3539 -111.896 10.8284 -111.896 103.014 GPRESSURE: 861800 21.2603 -7.36577 -54.0765 -89.515 -34.3704 -152.614 8.04196 -64.7338 79.7734 PRESSAVG: 861800 22.5181 45.2139 19.4632 45.2139 -99.9027 -23.5953 19.4633 -23.5953 44.5973 GPRESSAVG: 861800 20.188 44.5738 19.8505 43.9794 -99.4828 -24.2264 18.6421 -26.6178 46.3545 TIMING: 861800 CPU: 2588.05, 0.00298375/step Wall: 2588.05, 0.00298375/step, 3.42982 hours remaining, 208.546875 MB of memory in use. ENERGY: 861800 710.5583 2108.5074 1946.3317 113.2080 -206325.5442 17875.5555 0.0000 0.0000 34228.9838 -149342.3995 298.9302 -183571.3833 -149245.7134 299.1377 -10.0921 22.2211 557227.4085 -10.9291 -10.9801 PRESSURE: 862000 -155.247 -22.2449 157.764 -22.2453 -124.425 -59.0504 157.764 -59.0491 59.4014 GPRESSURE: 862000 -91.9029 100.496 158.927 -126.635 -116.061 -75.6295 152.783 -77.8352 88.672 PRESSAVG: 862000 -22.0528 6.28766 -19.3533 6.28759 -49.3344 40.5354 -19.3533 40.5354 43.9666 GPRESSAVG: 862000 -21.3758 6.78161 -19.5246 6.22786 -49.6688 42.3319 -18.9499 42.3198 43.5204 TIMING: 862000 CPU: 2588.65, 0.00298074/step Wall: 2588.65, 0.00298074/step, 3.4262 hours remaining, 208.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 862000 745.7637 2151.6171 1932.2341 114.3610 -206030.7800 17677.9787 0.0000 0.0000 34287.1785 -149121.6469 299.4385 -183408.8254 -149018.9078 299.5444 -73.4236 -39.7641 556666.5142 -9.1402 -9.1748 PRESSURE: 862200 -179.767 -13.8459 -7.74153 -13.8463 -158.67 46.4745 -7.74235 46.4741 -127.52 GPRESSURE: 862200 -205.424 -12.0221 -84.1572 -34.7356 -43.3967 61.9501 15.3071 17.8577 -113.888 PRESSAVG: 862200 -44.4293 37.5825 5.37621 37.5824 -27.3284 -52.5404 5.3761 -52.5405 97.8312 GPRESSAVG: 862200 -45.3765 37.0436 5.14012 38.1245 -26.9401 -54.0985 3.99399 -51.5448 98.4001 TIMING: 862200 CPU: 2589.24, 0.00296796/step Wall: 2589.24, 0.00296796/step, 3.41134 hours remaining, 208.546875 MB of memory in use. ENERGY: 862200 779.8701 2106.3605 1933.2040 115.2711 -206025.5375 17579.3769 0.0000 0.0000 34385.5957 -149125.8590 300.2980 -183511.4547 -149028.3967 298.9066 -155.3191 -120.9030 556436.2097 8.6912 8.6945 PRESSURE: 862400 -166.526 60.7639 -91.8443 60.7638 -216.465 -66.439 -91.8452 -66.4409 -32.6502 GPRESSURE: 862400 -128.486 -3.7033 -115.158 106.301 -131.985 -29.7985 17.481 -108.487 -51.8062 PRESSAVG: 862400 20.7257 29.3896 -0.109548 29.3896 -14.8334 -56.6742 -0.10945 -56.6743 -1.07567 GPRESSAVG: 862400 21.8786 26.5056 -1.14352 32.8466 -15.5506 -53.4258 2.25318 -57.6804 -0.969269 TIMING: 862400 CPU: 2589.84, 0.00297688/step Wall: 2589.84, 0.00297688/step, 3.42143 hours remaining, 208.546875 MB of memory in use. ENERGY: 862400 750.0160 2156.8826 1939.7919 111.5774 -205699.2618 17479.6020 0.0000 0.0000 34190.8822 -149070.5097 298.5975 -183261.3919 -148974.7518 299.8775 -138.5472 -104.0924 557109.1532 1.6055 1.7862 PRESSURE: 862600 -192.694 137.947 81.8302 137.946 275.221 196.006 81.8302 196.008 60.1483 GPRESSURE: 862600 -158.493 59.4831 47.834 142.467 251.78 228.359 54.7882 164.331 143.797 PRESSAVG: 862600 -22.9545 45.0277 -6.266 45.0277 6.21538 7.90648 -6.26595 7.90655 -0.420036 GPRESSAVG: 862600 -21.2753 45.8832 -5.50913 43.8702 6.5416 4.55892 -5.48017 8.15819 -1.67124 TIMING: 862600 CPU: 2590.44, 0.00298131/step Wall: 2590.44, 0.00298131/step, 3.42635 hours remaining, 208.546875 MB of memory in use. ENERGY: 862600 738.2398 2128.3527 1936.3038 121.4833 -205687.0742 17569.1718 0.0000 0.0000 34358.5900 -148834.9327 300.0621 -183193.5227 -148737.4645 299.9563 47.5586 79.0282 556771.6959 -5.7197 -5.4683 PRESSURE: 862800 -108.321 20.408 81.2521 20.4076 -120.177 38.3703 81.2512 38.369 -363.534 GPRESSURE: 862800 -1.55174 -36.4927 71.6823 7.6649 -128.387 92.4232 63.0589 15.0348 -366.949 PRESSAVG: 862800 13.4023 -23.3404 -2.81493 -23.3405 -9.00414 66.8237 -2.81501 66.8239 -23.833 GPRESSAVG: 862800 13.1165 -21.1174 -1.76498 -26.2463 -9.08112 68.0888 -3.18211 66.4189 -23.6209 TIMING: 862800 CPU: 2591.03, 0.00297124/step Wall: 2591.03, 0.00297124/step, 3.41462 hours remaining, 208.546875 MB of memory in use. ENERGY: 862800 768.4665 2062.2360 1964.3270 118.8094 -205633.3521 17542.5072 0.0000 0.0000 34230.6858 -148946.3201 298.9451 -183177.0059 -148855.9894 300.2740 -197.3442 -165.6294 557839.9256 -6.4783 -6.5285 PRESSURE: 863000 -34.7952 72.8068 229.424 72.8077 -71.179 -3.73209 229.424 -3.73265 -3.87808 GPRESSURE: 863000 -41.235 139.784 221.033 116.481 -10.4904 -20.9577 96.7626 8.16119 40.7039 PRESSAVG: 863000 -42.2175 10.0185 34.9097 10.0185 34.1172 -17.6156 34.9098 -17.6156 -0.589004 GPRESSAVG: 863000 -43.1831 9.27557 32.5913 10.7953 35.9076 -16.151 36.0989 -17.5836 -0.623356 TIMING: 863000 CPU: 2591.63, 0.00298928/step Wall: 2591.63, 0.00298928/step, 3.43518 hours remaining, 208.546875 MB of memory in use. ENERGY: 863000 757.9760 2097.9324 1938.2647 119.2963 -206043.0441 17708.0632 0.0000 0.0000 34513.3458 -148908.1657 301.4136 -183421.5115 -148809.6225 300.7091 -36.6174 -3.6738 556797.3325 -2.8964 -2.6330 PRESSURE: 863200 -38.4997 -124.483 71.8487 -124.482 -58.2425 62.9771 71.8496 62.9771 -123.514 GPRESSURE: 863200 -32.6306 -175.873 93.9612 -118.995 -56.8188 147.081 92.1826 -20.3978 -37.4028 PRESSAVG: 863200 -11.5418 27.7539 2.62548 27.7539 46.5227 -10.7885 2.62548 -10.7884 5.50551 GPRESSAVG: 863200 -11.6883 26.3472 4.74014 28.8696 45.7466 -11.4294 -0.561823 -10.1796 6.72553 TIMING: 863200 CPU: 2592.23, 0.00299261/step Wall: 2592.23, 0.00299261/step, 3.43884 hours remaining, 208.546875 MB of memory in use. ENERGY: 863200 768.4015 2100.4680 1935.5945 126.7473 -205593.2824 17601.1357 0.0000 0.0000 34140.2781 -148920.6573 298.1555 -183060.9354 -148826.5672 300.1507 -73.4187 -42.2841 557457.1914 13.4955 13.5946 PRESSURE: 863400 -109.282 75.6448 -120.009 75.645 291.428 202.048 -120.01 202.047 333.545 GPRESSURE: 863400 -7.67337 195.149 -11.1809 -36.5537 301.789 165.281 -109.339 208.704 309.659 PRESSAVG: 863400 -2.6733 -13.3988 -15.2813 -13.3988 -67.5274 11.6399 -15.2813 11.6399 42.3584 GPRESSAVG: 863400 -2.6759 -12.269 -14.7021 -13.7644 -67.3015 12.0535 -13.4195 10.6246 41.4742 TIMING: 863400 CPU: 2592.82, 0.0029719/step Wall: 2592.82, 0.0029719/step, 3.41488 hours remaining, 208.546875 MB of memory in use. ENERGY: 863400 741.0565 2103.7294 1942.6600 113.2458 -205991.9890 17969.0434 0.0000 0.0000 34280.0293 -148842.2245 299.3760 -183122.2538 -148742.0861 299.7399 171.8970 201.2584 558126.7178 -9.2808 -9.5011 PRESSURE: 863600 196.976 -174.524 -27.0779 -174.523 8.12309 -8.46401 -27.0775 -8.46302 -174.196 GPRESSURE: 863600 215.586 -149.831 21.0608 -135.661 -0.773752 -9.5032 -96.2714 -66.1774 -97.0401 PRESSAVG: 863600 -34.1705 -27.3335 -12.4223 -27.3334 54.2399 35.0686 -12.4223 35.0686 -39.5649 GPRESSAVG: 863600 -33.104 -26.6903 -13.052 -26.6074 52.9683 33.7234 -14.5433 35.9946 -39.7161 TIMING: 863600 CPU: 2593.42, 0.00299299/step Wall: 2593.42, 0.00299299/step, 3.43894 hours remaining, 208.546875 MB of memory in use. ENERGY: 863600 800.3810 2125.2077 1940.7964 121.3795 -206189.9850 17829.8865 0.0000 0.0000 34560.2453 -148812.0885 301.8232 -183372.3339 -148717.5840 300.5186 10.3010 39.2572 557334.8192 -6.4985 -6.6172 PRESSURE: 863800 -126.761 3.26784 -4.51748 3.26763 -90.6866 185.129 -4.51834 185.13 -121.188 GPRESSURE: 863800 -99.8024 -50.2734 44.3577 -73.8942 -2.07251 64.0798 -25.4069 260.988 -134.992 PRESSAVG: 863800 53.4489 23.2424 -2.10364 23.2423 24.5211 38.3883 -2.10368 38.3882 -57.494 GPRESSAVG: 863800 52.8957 20.9915 -0.750688 22.8835 25.1663 38.1502 -2.5862 39.1778 -58.2077 TIMING: 863800 CPU: 2594.01, 0.00297277/step Wall: 2594.01, 0.00297277/step, 3.41554 hours remaining, 208.546875 MB of memory in use. ENERGY: 863800 806.2962 2120.4634 1899.3377 116.3444 -206143.5281 17841.4522 0.0000 0.0000 34524.3337 -148835.3005 301.5096 -183359.6342 -148729.2253 300.4397 -112.8787 -78.9556 559228.2140 6.8253 6.6181 PRESSURE: 864000 -164.631 -45.0854 183.459 -45.0868 -194.931 76.2122 183.458 76.2127 101.056 GPRESSURE: 864000 -124.331 -116.356 197.582 24.518 -176.332 82.078 140.059 86.6003 130.365 PRESSAVG: 864000 -24.6015 11.6739 44.6257 11.6738 -21.9522 -2.23325 44.6257 -2.23314 60.9166 GPRESSAVG: 864000 -25.5407 12.5158 42.1847 11.392 -20.8538 -1.22672 47.3925 -4.35352 61.38 TIMING: 864000 CPU: 2594.61, 0.00298553/step Wall: 2594.61, 0.00298553/step, 3.43004 hours remaining, 208.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 864000 766.8609 2155.2239 1968.8621 112.9362 -205788.2449 17662.4629 0.0000 0.0000 34323.9527 -148797.9463 299.7596 -183121.8990 -148695.3561 299.6301 -86.1686 -56.7660 558548.1144 4.7876 4.9952 PRESSURE: 864200 -242.411 -205.068 49.6324 -205.068 -189.134 85.3765 49.632 85.3761 173.452 GPRESSURE: 864200 -219.009 -253.326 -9.25418 -130.33 -146.255 79.9878 86.2942 18.1566 197.293 PRESSAVG: 864200 -11.9876 -25.266 -54.5982 -25.2661 -21.1157 17.5941 -54.5982 17.5942 70.8378 GPRESSAVG: 864200 -10.6965 -24.22 -55.8529 -24.9739 -21.4964 17.9153 -53.7484 18.1127 70.2391 TIMING: 864200 CPU: 2595.21, 0.00299089/step Wall: 2595.21, 0.00299089/step, 3.43603 hours remaining, 208.546875 MB of memory in use. ENERGY: 864200 755.8025 2095.1383 1954.0407 111.3415 -205540.7746 17605.2764 0.0000 0.0000 34165.3430 -148853.8323 298.3744 -183019.1752 -148767.1632 300.3556 -86.0309 -55.9903 559378.7210 12.5782 12.6821 LDB: ============= START OF LOAD BALANCING ============== 2598.72 LDB: ============== END OF LOAD BALANCING =============== 2598.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2598.73 LDB: ============= START OF LOAD BALANCING ============== 2599.02 LDB: Largest compute 4800 load 0.028920 is 24.5% of average load 0.117807 LDB: Average compute 0.001727 is 1.5% of average load 0.117807 LDB: TIME 2599.03 LOAD: AVG 0.117807 MAX 0.20342 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.129 MB LDB: TIME 2599.03 LOAD: AVG 0.117807 MAX 0.20342 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.332 MB LDB: TIME 2599.03 LOAD: AVG 0.117807 MAX 0.20342 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.332 MB LDB: ============== END OF LOAD BALANCING =============== 2599.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2599.03 PRESSURE: 864400 -61.0051 122.086 31.0015 122.084 -185.606 55.668 31.0007 55.6692 152.954 GPRESSURE: 864400 -37.7372 169.255 79.2265 127.596 -115.776 65.9823 27.2454 176.038 162.356 PRESSAVG: 864400 18.532 20.0798 10.6111 20.0797 -61.1846 9.1515 10.6111 9.15144 28.1939 GPRESSAVG: 864400 18.4592 18.6679 11.4003 20.8526 -61.5787 10.0042 10.4635 8.95504 29.113 TIMING: 864400 CPU: 2595.81, 0.00302578/step Wall: 2595.81, 0.00302578/step, 3.47595 hours remaining, 209.191406 MB of memory in use. ENERGY: 864400 758.5477 2043.8445 1937.6122 112.3492 -206034.2212 17828.8754 0.0000 0.0000 34259.4275 -149093.5646 299.1961 -183352.9922 -148994.6969 299.6525 -31.2191 2.9478 559826.4588 -4.8196 -4.6688 PRESSURE: 864600 -38.985 120.655 -81.9861 120.655 -51.7456 -68.0704 -81.9869 -68.0698 11.5801 GPRESSURE: 864600 -28.2909 51.65 -99.965 68.8921 -27.6356 -4.21172 -64.4037 -40.9774 80.464 PRESSAVG: 864600 -37.5041 -21.8479 32.0637 -21.8479 -62.1004 14.3507 32.0638 14.3507 50.7229 GPRESSAVG: 864600 -36.6564 -21.0593 32.7169 -23.1378 -62.4164 11.819 31.8481 15.3421 50.1827 TIMING: 864600 CPU: 2596.41, 0.00298359/step Wall: 2596.41, 0.00298359/step, 3.42732 hours remaining, 209.261719 MB of memory in use. ENERGY: 864600 734.6402 2112.8307 1935.7902 112.6718 -205984.0168 17796.6692 0.0000 0.0000 34120.5769 -149170.8378 297.9835 -183291.4147 -149073.2821 299.4238 -26.3835 8.1792 559216.4379 -16.2939 -16.2967 PRESSURE: 864800 65.728 58.4798 -37.0038 58.4798 -76.8269 163.922 -37.0055 163.92 -101.406 GPRESSURE: 864800 95.8449 -5.40792 96.355 106.147 -12.3498 125.535 -105.931 192.597 -106.279 PRESSAVG: 864800 17.7222 2.84707 50.4138 2.84713 -4.93704 -34.1396 50.4138 -34.1396 42.5702 GPRESSAVG: 864800 16.9125 1.17211 48.712 5.89547 -3.7599 -33.5996 50.743 -34.7406 42.4651 TIMING: 864800 CPU: 2597.01, 0.00300999/step Wall: 2597.01, 0.00300999/step, 3.45747 hours remaining, 209.261719 MB of memory in use. ENERGY: 864800 770.4799 2128.5711 1927.2798 112.6282 -206291.2517 17728.2304 0.0000 0.0000 34291.7882 -149332.2742 299.4787 -183624.0624 -149240.3303 299.1468 -37.5016 -7.5948 556494.4447 18.4518 18.5392 PRESSURE: 865000 -57.3917 52.3121 86.196 52.3134 -71.985 79.3397 86.1965 79.3397 -261.827 GPRESSURE: 865000 -43.14 41.5859 132.183 4.27996 -31.1724 88.5162 -31.6635 105.829 -219.558 PRESSAVG: 865000 -20.1367 -38.9323 -14.1793 -38.9323 12.7271 -47.5558 -14.1792 -47.5558 23.1102 GPRESSAVG: 865000 -19.4112 -39.4242 -14.0406 -39.6712 11.7645 -46.2473 -15.678 -47.5181 23.6243 TIMING: 865000 CPU: 2597.61, 0.00296598/step Wall: 2597.61, 0.00296598/step, 3.40675 hours remaining, 209.261719 MB of memory in use. ENERGY: 865000 734.4889 2100.4833 1940.9822 117.7715 -205700.7655 17523.8236 0.0000 0.0000 34051.3559 -149231.8600 297.3790 -183283.2160 -149131.6288 298.9469 -130.4012 -97.9569 557596.0734 5.2335 5.3259 PRESSURE: 865200 -14.6894 -7.25216 46.2732 -7.25211 103.585 134.519 46.2727 134.519 -161.409 GPRESSURE: 865200 -61.0895 -55.6004 40.0408 21.4181 132.124 46.809 53.653 263.079 -47.6507 PRESSAVG: 865200 -8.46202 -26.2267 -19.9229 -26.2265 48.1379 -8.25534 -19.9229 -8.25537 -28.1852 GPRESSAVG: 865200 -8.73634 -24.7326 -18.4234 -28.0245 48.6232 -8.89246 -19.348 -9.54544 -28.3674 TIMING: 865200 CPU: 2598.2, 0.0029842/step Wall: 2598.2, 0.0029842/step, 3.42751 hours remaining, 209.261719 MB of memory in use. ENERGY: 865200 753.8636 2132.4700 1966.1902 117.9616 -205820.1623 17642.0058 0.0000 0.0000 34072.8354 -149134.8358 297.5665 -183207.6712 -149045.9291 299.4780 -24.1711 7.7945 556492.8205 3.8302 3.8398 PRESSURE: 865400 -259.506 2.96812 48.8576 2.96768 132.155 -1.07872 48.8598 -1.0784 164.875 GPRESSURE: 865400 -198.712 11.531 -56.3037 -51.0345 207.783 -24.1888 62.5459 36.838 119.999 PRESSAVG: 865400 14.1787 -8.01547 6.78501 -8.01542 24.7416 4.23632 6.785 4.23631 -53.443 GPRESSAVG: 865400 13.8023 -7.44301 5.16618 -5.5154 23.9006 5.48594 8.48464 4.61899 -52.4825 TIMING: 865400 CPU: 2598.8, 0.00299297/step Wall: 2598.8, 0.00299297/step, 3.43742 hours remaining, 209.261719 MB of memory in use. ENERGY: 865400 796.0148 2104.4582 1933.8760 114.9393 -206119.0034 17862.3382 0.0000 0.0000 34383.7123 -148923.6646 300.2815 -183307.3770 -148820.6816 300.4335 12.5082 43.0232 558066.3971 -4.8409 -4.9265 PRESSURE: 865600 -45.0976 -3.69691 125.866 -3.69784 -11.9105 -57.0343 125.865 -57.0352 -246.024 GPRESSURE: 865600 -32.9972 -2.32687 192.657 12.8336 36.6146 -28.1226 88.5873 -69.9224 -218.482 PRESSAVG: 865600 -6.18809 -14.8681 37.9482 -14.868 23.883 -5.78321 37.9482 -5.78332 -39.4865 GPRESSAVG: 865600 -6.66164 -15.6806 40.4658 -16.4714 24.1933 -8.76002 35.6502 -4.50917 -39.7232 TIMING: 865600 CPU: 2599.4, 0.00301063/step Wall: 2599.4, 0.00301063/step, 3.45754 hours remaining, 209.261719 MB of memory in use. ENERGY: 865600 780.3689 2119.0133 1941.7571 112.2921 -205868.6925 17707.5092 0.0000 0.0000 34276.6870 -148931.0649 299.3468 -183207.7519 -148827.8374 299.9361 -101.0107 -71.6215 557580.1797 -7.2639 -7.3972 PRESSURE: 865800 -46.1278 -61.0093 92.1559 -61.0101 14.283 -45.9055 92.1545 -45.9055 9.13155 GPRESSURE: 865800 -69.7699 -26.8829 58.7434 -4.53889 61.3855 58.6531 90.0481 -77.7221 81.8374 PRESSAVG: 865800 74.7869 1.08288 23.0084 1.08296 47.6915 55.294 23.0085 55.2941 -107.226 GPRESSAVG: 865800 75.264 2.03584 23.9652 0.908019 47.5501 56.8739 22.4808 54.4666 -107.25 TIMING: 865800 CPU: 2600, 0.00298751/step Wall: 2600, 0.00298751/step, 3.43083 hours remaining, 209.261719 MB of memory in use. ENERGY: 865800 742.9097 2128.4092 1946.9153 121.7918 -206037.7006 17635.2620 0.0000 0.0000 34492.4893 -148969.9233 301.2315 -183462.4126 -148877.0888 300.6337 -7.5711 24.4843 557525.1858 5.0840 5.1882 PRESSURE: 866000 226.782 -90.8167 87.2484 -90.8159 192.34 -115.574 87.2469 -115.573 129.864 GPRESSURE: 866000 243 -175.979 -7.17098 -23.7698 227.112 -98.0521 63.5163 -78.17 170.595 PRESSAVG: 866000 -18.9415 -26.7585 25.4835 -26.7585 -4.58847 -23.0097 25.4835 -23.0098 -4.61132 GPRESSAVG: 866000 -18.2155 -27.9072 23.634 -25.7528 -5.24825 -25.2267 26.6213 -21.1564 -4.89107 TIMING: 866000 CPU: 2600.6, 0.00299643/step Wall: 2600.6, 0.00299643/step, 3.4409 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: 866000 743.3224 2104.8401 1933.5287 109.7490 -206105.7150 17949.7592 0.0000 0.0000 34400.6935 -148863.8221 300.4298 -183264.5156 -148763.8729 300.3348 182.9951 213.5691 557734.7892 -9.3804 -9.4516 PRESSURE: 866200 -407.843 -161.936 -198.743 -161.937 12.197 78.0698 -198.746 78.0694 -239.407 GPRESSURE: 866200 -350.782 -85.8152 -156.546 -189.698 -8.62039 61.1207 -211.161 90.2908 -168.234 PRESSAVG: 866200 29.9476 -34.1657 81.5296 -34.1657 54.4573 0.915743 81.5295 0.915806 -32.6227 GPRESSAVG: 866200 28.9694 -32.0914 81.6383 -35.2155 54.732 1.94095 82.4449 -0.0502153 -31.248 TIMING: 866200 CPU: 2601.2, 0.00299118/step Wall: 2601.2, 0.00299118/step, 3.43471 hours remaining, 209.261719 MB of memory in use. ENERGY: 866200 737.0389 2046.5287 1940.4989 140.9400 -205915.4505 17542.1721 0.0000 0.0000 34570.2904 -148937.9815 301.9109 -183508.2719 -148842.7177 300.2069 -211.6842 -175.8790 559375.3065 17.2607 17.4845 PRESSURE: 866400 60.8822 100.987 56.7805 100.987 -57.7606 -140.081 56.7793 -140.08 -22.6829 GPRESSURE: 866400 137.976 98.7759 36.2775 173.621 -6.48404 -176.538 91.4462 -9.6177 -57.7518 PRESSAVG: 866400 -22.4116 -17.6823 18.5217 -17.6822 29.1728 -5.82363 18.5216 -5.82371 -18.1733 GPRESSAVG: 866400 -21.6307 -18.7533 17.7862 -17.9264 27.9909 -5.03146 16.7391 -4.73533 -17.7352 TIMING: 866400 CPU: 2601.8, 0.00298873/step Wall: 2601.8, 0.00298873/step, 3.43173 hours remaining, 209.261719 MB of memory in use. ENERGY: 866400 723.6866 2095.7907 1943.6829 110.1735 -206169.6335 17842.2157 0.0000 0.0000 34367.1842 -149086.8999 300.1372 -183454.0841 -148988.1004 299.7655 -6.5204 24.5800 559139.9363 -3.8040 -3.7916 PRESSURE: 866600 -71.6697 -24.2077 -7.54277 -24.2068 -231.904 -39.2512 -7.54239 -39.2523 -18.1657 GPRESSURE: 866600 -93.3958 -41.5027 -48.0925 -129.396 -125.813 -17.6264 86.2224 7.39492 -4.64187 PRESSAVG: 866600 -29.421 54.252 23.7546 54.252 35.6509 71.2351 23.7546 71.2352 -4.41802 GPRESSAVG: 866600 -31.1257 54.8883 23.3803 54.0775 37.313 71.5477 23.8185 69.7393 -4.80464 TIMING: 866600 CPU: 2602.39, 0.00298729/step Wall: 2602.39, 0.00298729/step, 3.42991 hours remaining, 209.261719 MB of memory in use. ENERGY: 866600 752.6790 2096.0307 1955.1482 127.6725 -205908.4254 17661.7161 0.0000 0.0000 34351.6889 -148963.4900 300.0018 -183315.1789 -148866.2512 299.2771 -107.2466 -74.6170 557468.9535 0.6040 0.4609 PRESSURE: 866800 -115.07 307.838 -74.3848 307.839 -165.833 -132.057 -74.3844 -132.058 -119.755 GPRESSURE: 866800 -70.303 325.575 -119.558 259.819 -146.031 -72.1101 -74.9998 -168.221 -88.643 PRESSAVG: 866800 -58.8425 22.2451 -41.34 22.2451 6.81001 50.8989 -41.34 50.8987 -6.47265 GPRESSAVG: 866800 -56.8878 21.3033 -38.7138 19.6558 5.96244 49.4073 -41.2288 51.0066 -7.61159 TIMING: 866800 CPU: 2602.99, 0.00297773/step Wall: 2602.99, 0.00297773/step, 3.41876 hours remaining, 209.261719 MB of memory in use. ENERGY: 866800 738.9877 2098.1679 1926.7041 104.1145 -206189.7837 17778.3450 0.0000 0.0000 34381.6860 -149161.7784 300.2638 -183543.4644 -149078.1546 300.0066 -133.5527 -101.6591 557514.4258 -19.5017 -19.5123 PRESSURE: 867000 69.3527 81.3108 -34.4462 81.3103 51.5494 -151.512 -34.4452 -151.512 155.859 GPRESSURE: 867000 92.5195 -4.00164 -52.3418 92.8782 90.2986 -141.174 -25.145 -153.098 187.113 PRESSAVG: 867000 13.118 29.6171 28.223 29.6171 -1.69207 7.99945 28.223 7.99952 -18.9385 GPRESSAVG: 867000 12.8332 31.3905 27.9869 30.6526 -1.71256 9.91055 28.7465 5.11278 -18.5883 TIMING: 867000 CPU: 2603.59, 0.00297697/step Wall: 2603.59, 0.00297697/step, 3.41773 hours remaining, 209.261719 MB of memory in use. ENERGY: 867000 746.0034 2111.6524 1932.2291 111.4744 -206346.7645 17849.1736 0.0000 0.0000 34416.2700 -149179.9615 300.5658 -183596.2314 -149082.6359 300.0451 92.2538 123.3103 555043.7463 -2.5042 -2.4892 PRESSURE: 867200 6.2308 59.3263 -68.1954 59.3264 174.808 -104.644 -68.1953 -104.643 -110.612 GPRESSURE: 867200 40.7285 104.913 -189.996 53.443 182.398 -22.0434 -3.28533 -191.739 -48.219 PRESSAVG: 867200 -62.1947 -15.9102 -47.5033 -15.9102 45.6581 -3.62237 -47.5033 -3.62235 36.0668 GPRESSAVG: 867200 -63.2491 -16.1181 -48.9855 -14.2532 46.0748 -5.08607 -48.7222 -0.353737 36.9554 TIMING: 867200 CPU: 2604.18, 0.00298408/step Wall: 2604.18, 0.00298408/step, 3.42572 hours remaining, 209.261719 MB of memory in use. ENERGY: 867200 701.4121 2125.0687 1946.1370 122.2209 -205983.3535 17650.9293 0.0000 0.0000 34306.8968 -149130.6888 299.6107 -183437.5856 -149031.1011 299.8756 23.4756 58.3025 555024.4299 6.5100 6.5937 PRESSURE: 867400 126.522 -23.1182 19.2337 -23.1187 235.38 132.586 19.2355 132.586 137.744 GPRESSURE: 867400 114.75 -76.5459 64.2307 -23.7875 301.534 149.904 -72.3897 87.4975 187.879 PRESSAVG: 867400 -49.7247 19.8819 42.4112 19.8819 32.4092 2.3185 42.4112 2.31845 -18.8492 GPRESSAVG: 867400 -49.4723 17.7731 41.802 20.8459 32.5314 3.28097 44.6734 0.0700445 -18.7076 TIMING: 867400 CPU: 2604.78, 0.0029706/step Wall: 2604.78, 0.0029706/step, 3.41008 hours remaining, 209.261719 MB of memory in use. ENERGY: 867400 757.4624 2112.9223 1957.4381 110.7949 -206365.7824 18042.5379 0.0000 0.0000 34297.8361 -149086.7907 299.5315 -183384.6268 -148989.3469 300.4814 166.5488 201.3879 555433.6351 -12.0549 -11.8828 PRESSURE: 867600 -64.6391 29.788 -12.6047 29.7875 130.314 -117.272 -12.605 -117.271 -62.7461 GPRESSURE: 867600 -16.6591 52.5737 -0.0794386 83.3665 144.546 -50.2006 0.309613 -103.014 -39.893 PRESSAVG: 867600 -65.5581 -6.34596 15.6854 -6.34585 -15.1945 -14.1559 15.6855 -14.1558 92.5885 GPRESSAVG: 867600 -65.1591 -4.68655 14.8995 -8.5751 -14.711 -14.4243 16.3021 -12.7901 91.9003 TIMING: 867600 CPU: 2605.37, 0.00296576/step Wall: 2605.37, 0.00296576/step, 3.40436 hours remaining, 209.261719 MB of memory in use. ENERGY: 867600 776.7340 2105.2169 1934.1476 110.6400 -205921.8509 17698.8921 0.0000 0.0000 34490.3710 -148805.8494 301.2130 -183296.2204 -148714.6241 299.8489 0.9761 29.3314 557687.7890 3.9453 4.0101 PRESSURE: 867800 -221.063 -31.4222 28.3198 -31.4216 -131.281 -160.161 28.3195 -160.161 150.792 GPRESSURE: 867800 -160.554 -42.9593 -13.3302 -43.2207 -78.8249 -203.424 76.2311 -52.2478 134.241 PRESSAVG: 867800 -69.2286 -12.7705 20.352 -12.7705 51.885 -43.1195 20.352 -43.1195 43.1439 GPRESSAVG: 867800 -70.6734 -12.5515 19.5361 -12.7014 52.6869 -43.8575 20.9474 -41.9839 44.0714 TIMING: 867800 CPU: 2605.96, 0.00297291/step Wall: 2605.96, 0.00297291/step, 3.41241 hours remaining, 209.261719 MB of memory in use. ENERGY: 867800 759.5337 2180.3225 1946.5297 123.9597 -206049.2721 17851.4776 0.0000 0.0000 34295.6364 -148891.8125 299.5123 -183187.4489 -148797.7412 300.2710 -67.1837 -35.0462 557775.4143 8.6001 8.6950 PRESSURE: 868000 -152.039 -61.5945 -93.7435 -61.5933 32.4091 -32.4977 -93.7437 -32.4981 -67.2334 GPRESSURE: 868000 -136.537 -117.008 -26.8877 -154.201 95.1643 26.4091 -105.895 -76.3054 -52.1633 PRESSAVG: 868000 -64.1774 -54.978 -43.3113 -54.978 27.9704 37.0838 -43.3113 37.0839 3.43135 GPRESSAVG: 868000 -63.8167 -55.6024 -40.6869 -55.3698 28.0229 37.8426 -46.6611 36.711 2.86922 TIMING: 868000 CPU: 2606.56, 0.00295432/step Wall: 2606.56, 0.00295432/step, 3.3909 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: 868000 732.5299 2162.3969 1934.6526 119.9977 -205829.7134 17698.1578 0.0000 0.0000 34201.9413 -148980.0372 298.6941 -183181.9785 -148884.2828 300.4560 -62.2876 -31.1786 559351.3999 -10.9252 -10.9749 PRESSURE: 868200 -175.978 75.9481 -40.0915 75.9485 -8.88383 -108.971 -40.0918 -108.973 194.198 GPRESSURE: 868200 -126.611 134.406 -92.5133 52.8167 29.6388 -44.5593 -10.0503 -92.6928 205.249 PRESSAVG: 868200 -34.3066 -55.0066 -12.8613 -55.0066 58.6801 15.5561 -12.8614 15.5561 -39.2862 GPRESSAVG: 868200 -33.3552 -52.7355 -13.2321 -55.0215 57.5055 16.1528 -11.531 14.2286 -39.1712 TIMING: 868200 CPU: 2607.15, 0.00295328/step Wall: 2607.15, 0.00295328/step, 3.38954 hours remaining, 209.261719 MB of memory in use. ENERGY: 868200 752.2670 2153.2871 1931.7056 103.5424 -206132.9669 18005.2259 0.0000 0.0000 34359.0514 -148827.8875 300.0661 -183186.9389 -148728.1446 300.0260 3.1120 36.0921 558952.2273 -4.9709 -5.0069 LDB: ============= START OF LOAD BALANCING ============== 2610.66 LDB: ============== END OF LOAD BALANCING =============== 2610.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2610.66 LDB: ============= START OF LOAD BALANCING ============== 2610.96 LDB: Largest compute 4800 load 0.030310 is 25.7% of average load 0.117868 LDB: Average compute 0.001735 is 1.5% of average load 0.117868 LDB: TIME 2610.96 LOAD: AVG 0.117868 MAX 0.205465 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.961 MB LDB: TIME 2610.96 LOAD: AVG 0.117868 MAX 0.205465 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.961 MB LDB: TIME 2610.96 LOAD: AVG 0.117868 MAX 0.205465 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.961 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2610.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2610.97 PRESSURE: 868400 -169.082 -58.6237 -62.4066 -58.6248 20.2194 10.0658 -62.4057 10.0663 131.63 GPRESSURE: 868400 -112.137 -39.7295 40.6831 -46.2785 74.8355 -54.5693 -132.818 75.2129 125.257 PRESSAVG: 868400 -4.04069 -13.0442 39.9101 -13.0443 -2.54695 45.7232 39.9101 45.7232 -3.48681 GPRESSAVG: 868400 -4.5172 -15.7009 38.6429 -11.1211 -1.99038 44.5461 41.0689 46.1014 -3.631 TIMING: 868400 CPU: 2607.75, 0.0030143/step Wall: 2607.75, 0.0030143/step, 3.45941 hours remaining, 207.246094 MB of memory in use. ENERGY: 868400 699.5676 2086.0385 1949.5146 115.1616 -205502.9968 17636.9715 0.0000 0.0000 34285.0956 -148730.6474 299.4203 -183015.7430 -148637.8300 300.2219 -5.7442 29.3186 559856.2005 -3.3582 -3.3795 PRESSURE: 868600 -10.3137 62.0659 122.826 62.0638 191.52 34.7363 122.827 34.7353 47.4237 GPRESSURE: 868600 78.106 9.59586 155.909 76.0653 196.716 -58.9714 162.483 98.7052 55.4993 PRESSAVG: 868600 76.3684 -37.7877 -12.4061 -37.7878 -43.4828 67.1196 -12.4062 67.1196 -42.6802 GPRESSAVG: 868600 77.5593 -36.7362 -11.1872 -37.1774 -44.3727 65.7509 -13.8752 66.5211 -43.2567 TIMING: 868600 CPU: 2608.34, 0.00295216/step Wall: 2608.34, 0.00295216/step, 3.38793 hours remaining, 207.449219 MB of memory in use. ENERGY: 868600 824.5267 2093.8605 1951.0165 109.6871 -206290.2152 18147.0086 0.0000 0.0000 34307.7796 -148856.3362 299.6184 -183164.1158 -148758.1511 300.7583 76.2101 110.1072 559075.8528 -3.2649 -3.3567 PRESSURE: 868800 124.392 77.6085 9.10598 77.6096 -32.9161 -68.315 9.10616 -68.3132 -192.047 GPRESSURE: 868800 169.37 -12.8098 -34.6718 80.2747 -9.81937 -106.224 -3.80218 -41.3869 -164.506 PRESSAVG: 868800 45.6522 40.3914 14.7402 40.3914 -8.35601 -3.05313 14.7402 -3.05313 -30.4058 GPRESSAVG: 868800 44.6314 39.4524 12.7128 40.5875 -8.04118 0.668496 15.4975 -4.49939 -30.0315 TIMING: 868800 CPU: 2608.93, 0.00295411/step Wall: 2608.93, 0.00295411/step, 3.39001 hours remaining, 207.449219 MB of memory in use. ENERGY: 868800 816.7024 2122.1746 1945.9588 124.4825 -206060.5510 17887.4922 0.0000 0.0000 34267.1373 -148896.6033 299.2634 -183163.7405 -148808.9316 300.3571 -33.5237 -1.6518 557796.6347 2.2968 2.1862 PRESSURE: 869000 0.747116 -92.213 -237.136 -92.2126 69.5049 -101.364 -237.135 -101.365 -46.5862 GPRESSURE: 869000 26.2958 -65.8504 -358.985 -74.2032 127.855 -141.604 -178.523 -64.4754 -21.931 PRESSAVG: 869000 -29.8697 32.7867 13.9617 32.7868 -6.20029 17.3873 13.9616 17.3874 4.08614 GPRESSAVG: 869000 -29.4014 33.1667 14.6607 31.9473 -7.13476 16.3198 14.8501 20.3997 4.39952 TIMING: 869000 CPU: 2609.53, 0.00297692/step Wall: 2609.53, 0.00297692/step, 3.41602 hours remaining, 207.449219 MB of memory in use. ENERGY: 869000 731.9219 2093.4045 1917.8336 110.9326 -206050.5947 17694.0209 0.0000 0.0000 34379.7851 -149122.6961 300.2472 -183502.4812 -149025.8736 299.5523 7.8886 44.0733 556527.8655 -10.6613 -10.7122 PRESSURE: 869200 10.2526 -185.507 -75.0476 -185.507 -96.5038 54.8338 -75.0484 54.8328 -359.073 GPRESSURE: 869200 61.1916 -165.926 -75.6834 -240.319 -35.671 -2.42344 -35.3352 122.631 -373.774 PRESSAVG: 869200 5.50846 -28.6033 7.54736 -28.6034 5.36872 21.1824 7.5473 21.1824 -6.36956 GPRESSAVG: 869200 3.65649 -27.8587 5.88526 -29.9114 6.32976 18.2723 7.10332 23.512 -6.02133 TIMING: 869200 CPU: 2610.13, 0.00300314/step Wall: 2610.13, 0.00300314/step, 3.44594 hours remaining, 207.449219 MB of memory in use. ENERGY: 869200 811.1451 2058.4872 1939.7758 110.6344 -205999.0199 17623.4302 0.0000 0.0000 34225.0449 -149230.5023 298.8958 -183455.5472 -149141.1271 299.2338 -148.4413 -116.0844 558404.8207 1.5025 1.3216 PRESSURE: 869400 -230.337 -48.1991 63.4566 -48.1984 -187.921 -126.162 63.4556 -126.162 -38.0176 GPRESSURE: 869400 -187.121 -103.545 -11.6884 116.911 -132.461 -136.558 108.229 -198.808 -43.4117 PRESSAVG: 869400 4.56757 6.58831 18.0389 6.58835 14.4564 8.94151 18.0389 8.94149 -32.5168 GPRESSAVG: 869400 5.82225 6.83126 21.7304 7.34794 14.0621 10.9749 16.1554 5.7206 -32.3863 TIMING: 869400 CPU: 2610.72, 0.00298135/step Wall: 2610.72, 0.00298135/step, 3.42077 hours remaining, 207.449219 MB of memory in use. ENERGY: 869400 735.1986 2081.9060 1934.3818 110.3924 -205994.3541 17629.7209 0.0000 0.0000 34290.7654 -149211.9891 299.4698 -183502.7545 -149114.0485 299.1994 -152.0918 -120.9979 557836.3602 -4.4976 -4.1673 PRESSURE: 869600 31.4402 -146.81 67.4035 -146.809 66.5282 238.326 67.4035 238.325 -79.3237 GPRESSURE: 869600 58.1002 -57.0005 51.3599 -199.073 104.667 264.26 80.3818 258.971 -50.0091 PRESSAVG: 869600 63.4304 5.66912 0.895349 5.66919 82.7147 10.7136 0.895387 10.7137 -51.137 GPRESSAVG: 869600 64.2197 2.04703 -2.58413 6.15213 82.6741 12.0513 3.51994 9.36509 -51.4709 TIMING: 869600 CPU: 2611.32, 0.00299413/step Wall: 2611.32, 0.00299413/step, 3.43526 hours remaining, 207.449219 MB of memory in use. ENERGY: 869600 776.8515 2130.3464 1915.2357 113.9504 -206125.4737 17870.3254 0.0000 0.0000 34217.0037 -149101.7607 298.8256 -183318.7644 -149003.8744 299.6401 6.2149 37.5860 556303.3896 31.6694 31.8076 PRESSURE: 869800 301.231 -78.9331 5.72377 -78.9338 275.328 -151.242 5.72373 -151.242 -53.0626 GPRESSURE: 869800 248.696 -85.3206 51.3812 -86.2375 285.769 -182.726 -67.7356 -153.559 82.2526 PRESSAVG: 869800 11.0375 8.28641 -39.0767 8.28646 76.5565 10.4831 -39.0767 10.4831 -53.9172 GPRESSAVG: 869800 11.5691 10.7057 -37.6206 6.61865 76.6806 11.0229 -40.1324 10.965 -54.2949 TIMING: 869800 CPU: 2611.92, 0.00299636/step Wall: 2611.92, 0.00299636/step, 3.43766 hours remaining, 207.449219 MB of memory in use. ENERGY: 869800 733.2832 2094.5248 1925.4931 112.2380 -206447.3079 17938.2154 0.0000 0.0000 34522.8229 -149120.7304 301.4964 -183643.5533 -149022.8184 300.0310 174.4990 205.5726 554296.8298 11.2256 11.3183 PRESSURE: 870000 -222 -82.5596 45.5937 -82.5601 -380.243 56.5938 45.593 56.5944 -229.199 GPRESSURE: 870000 -174.291 -136.552 34.4967 11.8136 -377.625 77.3207 12.9479 92.6257 -168.219 PRESSAVG: 870000 21.4287 14.9837 14.5715 14.9836 31.2842 -24.258 14.5716 -24.2578 -60.2212 GPRESSAVG: 870000 20.2798 16.4276 15.6123 15.5517 30.9607 -25.7442 13.9818 -23.7543 -58.7199 TIMING: 870000 CPU: 2612.52, 0.00299413/step Wall: 2612.52, 0.00299413/step, 3.43493 hours remaining, 207.449219 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: 870000 784.5056 2118.4263 1903.6071 111.3514 -205387.9481 17291.7389 0.0000 0.0000 34103.8073 -149074.5115 297.8370 -183178.3188 -148977.0180 299.7469 -277.1474 -240.0450 557459.7714 -2.5028 -2.4931 PRESSURE: 870200 25.8827 75.2934 -48.341 75.2933 0.598273 38.0134 -48.3406 38.0138 167.533 GPRESSURE: 870200 36.2797 121.648 -42.0872 22.3635 19.9304 -51.8328 -72.9063 133.433 231.977 PRESSAVG: 870200 -31.2466 0.747217 -26.6018 0.74719 -43.125 -29.827 -26.6017 -29.8271 79.9113 GPRESSAVG: 870200 -30.5232 0.77666 -27.2514 1.21181 -42.7824 -28.7665 -26.002 -29.5129 79.0209 TIMING: 870200 CPU: 2613.11, 0.00295859/step Wall: 2613.11, 0.00295859/step, 3.394 hours remaining, 207.449219 MB of memory in use. ENERGY: 870200 733.0774 2170.5035 1935.7157 124.8628 -206322.2770 17920.6307 0.0000 0.0000 34256.2748 -149181.2119 299.1686 -183437.4867 -149078.4569 299.5243 64.6714 96.0623 557103.8648 1.8466 1.9051 PRESSURE: 870400 -36.6034 46.6782 30.4509 46.679 -31.3784 -92.5629 30.4497 -92.5604 -166.499 GPRESSURE: 870400 -5.01054 23.7434 1.62791 108.899 47.2857 20.768 123.261 -145.042 -176.537 PRESSAVG: 870400 10.2814 -15.7034 23.2569 -15.7034 88.281 -50.5304 23.2569 -50.5304 -61.9623 GPRESSAVG: 870400 10.5522 -15.6182 22.7054 -14.8029 88.2921 -51.2787 23.0902 -47.8833 -62.5394 TIMING: 870400 CPU: 2613.71, 0.00297537/step Wall: 2613.71, 0.00297537/step, 3.41308 hours remaining, 207.449219 MB of memory in use. ENERGY: 870400 723.0710 2128.9578 1936.1550 110.3900 -206091.5666 17660.4999 0.0000 0.0000 34323.3500 -149209.1428 299.7544 -183532.4928 -149116.5839 298.8924 -78.1602 -44.7541 556712.6577 12.2000 12.1016 PRESSURE: 870600 -361.118 227.634 70.4955 227.634 -81.895 79.9399 70.4951 79.9406 -150.952 GPRESSURE: 870600 -306.075 266.543 127.374 200.909 -37.5638 29.7739 -5.37071 120.479 -164.653 PRESSAVG: 870600 14.7855 -24.4888 66.0126 -24.4888 -25.7347 -53.1144 66.0126 -53.1144 16.3536 GPRESSAVG: 870600 15.3688 -24.4652 66.5218 -26.0392 -25.8855 -54.377 63.8421 -53.7052 16.3671 TIMING: 870600 CPU: 2614.3, 0.0029713/step Wall: 2614.3, 0.0029713/step, 3.40825 hours remaining, 207.449219 MB of memory in use. ENERGY: 870600 745.7641 2084.8831 1950.0460 112.3575 -205730.3112 17349.3948 0.0000 0.0000 34410.0919 -149077.7738 300.5119 -183487.8657 -148978.2181 299.6383 -197.9882 -169.4308 557693.1792 1.8014 1.9501 PRESSURE: 870800 -31.2939 -40.0298 46.9941 -40.0304 142.134 118.465 46.9949 118.464 -136.544 GPRESSURE: 870800 -7.20125 -156.905 67.564 0.384478 153.603 118.272 25.3832 123.382 -77.0365 PRESSAVG: 870800 12.9478 -13.2208 34.4562 -13.2208 71.0831 32.9226 34.4562 32.9225 -45.9764 GPRESSAVG: 870800 12.5156 -15.464 35.1058 -11.5941 70.9974 34.4414 35.1312 30.4602 -45.7903 TIMING: 870800 CPU: 2614.9, 0.0029944/step Wall: 2614.9, 0.0029944/step, 3.43457 hours remaining, 207.449219 MB of memory in use. ENERGY: 870800 744.5668 2107.5417 1934.0999 102.1593 -206168.6250 17842.5387 0.0000 0.0000 34446.3900 -148991.3285 300.8289 -183437.7185 -148903.1006 300.1731 -8.5680 23.1217 557491.2011 12.6848 12.5742 PRESSURE: 871000 -151.09 6.93095 134.304 6.93036 202.579 52.3176 134.304 52.3172 70.4052 GPRESSURE: 871000 -128.128 26.9732 155.037 -21.7335 222.41 69.3791 159.916 26.6859 119.077 PRESSAVG: 871000 14.8452 -9.89367 6.93885 -9.89366 18.651 31.0676 6.93882 31.0677 -67.633 GPRESSAVG: 871000 14.0609 -9.8639 6.46791 -9.55742 19.1449 29.878 7.66322 31.7435 -66.9818 TIMING: 871000 CPU: 2615.5, 0.0030039/step Wall: 2615.5, 0.0030039/step, 3.44531 hours remaining, 207.449219 MB of memory in use. ENERGY: 871000 758.2356 2021.9427 1936.3248 106.2559 -206181.8826 17954.1786 0.0000 0.0000 34239.1809 -149165.7640 299.0193 -183404.9449 -149069.0181 299.4943 40.6313 71.1198 557036.9188 -11.3789 -11.2587 PRESSURE: 871200 -270.345 111.853 52.402 111.853 -16.2361 -212.994 52.4038 -212.993 -82.7291 GPRESSURE: 871200 -239.871 129.774 59.452 170.522 29.3494 -257.121 82.0957 -178.736 -73.7188 PRESSAVG: 871200 33.1498 8.7026 25.5688 8.70262 22.9866 56.4861 25.5689 56.486 -44.8514 GPRESSAVG: 871200 33.7106 9.73169 28.1547 8.20819 23.5388 58.0939 23.5337 57.5459 -45.7477 TIMING: 871200 CPU: 2616.1, 0.00298033/step Wall: 2616.1, 0.00298033/step, 3.41811 hours remaining, 207.449219 MB of memory in use. ENERGY: 871200 752.9026 2075.4943 1953.6900 124.8582 -206029.0230 17634.8363 0.0000 0.0000 34297.9968 -149189.2448 299.5329 -183487.2416 -149096.6765 299.2466 -123.1035 -94.7468 558750.4005 3.7617 3.8339 PRESSURE: 871400 -216.37 -2.70232 83.3226 -2.70067 136.263 28.1179 83.3218 28.1189 83.3842 GPRESSURE: 871400 -188.361 13.7417 80.0526 -107.222 173.722 -16.2296 144.279 63.1511 130.761 PRESSAVG: 871400 -36.2347 -8.25334 3.54042 -8.25339 18.1698 12.4616 3.54046 12.4617 -4.09325 GPRESSAVG: 871400 -35.1915 -9.12464 0.156818 -7.30799 16.9815 9.48951 5.73649 11.6119 -3.71073 TIMING: 871400 CPU: 2616.7, 0.00300564/step Wall: 2616.7, 0.00300564/step, 3.44696 hours remaining, 207.449219 MB of memory in use. ENERGY: 871400 723.6259 2085.5707 1933.4109 114.4578 -206367.1576 17824.0590 0.0000 0.0000 34310.1255 -149375.9078 299.6389 -183686.0333 -149271.2557 299.5536 1.0923 38.7076 558392.7403 -7.3860 -7.3069 PRESSURE: 871600 -119.034 137.729 92.5688 137.729 -10.341 63.7356 92.5703 63.735 -283.08 GPRESSURE: 871600 -142.883 177.189 116.761 54.866 20.1215 100.228 65.6103 48.9174 -193.678 PRESSAVG: 871600 1.19761 40.4733 12.7925 40.4733 35.262 -35.8118 12.7925 -35.8118 -49.6723 GPRESSAVG: 871600 1.39483 42.3941 13.9184 38.5704 36.3001 -36.9147 13.4416 -35.0709 -50.9042 TIMING: 871600 CPU: 2617.31, 0.00304992/step Wall: 2617.31, 0.00304992/step, 3.49758 hours remaining, 207.449219 MB of memory in use. ENERGY: 871600 750.6822 2111.9896 1901.5665 117.1323 -205968.2110 17657.8163 0.0000 0.0000 34120.2500 -149308.7740 297.9806 -183429.0240 -149213.9677 298.7986 -137.4847 -105.4799 558187.4082 -4.4043 -4.4031 PRESSURE: 871800 218.709 43.5304 89.5239 43.532 -111.619 -38.2669 89.524 -38.2657 -39.8809 GPRESSURE: 871800 270.351 61.5187 67.6483 91.8185 -121.261 -144.111 160.336 -64.7397 18.3181 PRESSAVG: 871800 8.62767 29.3814 -23.2231 29.3814 43.4675 -38.8484 -23.2231 -38.8485 -69.7285 GPRESSAVG: 871800 7.82435 28.9827 -23.8444 30.3449 43.322 -36.1835 -24.4302 -38.5836 -69.3212 TIMING: 871800 CPU: 2617.91, 0.00300611/step Wall: 2617.91, 0.00300611/step, 3.44718 hours remaining, 207.449219 MB of memory in use. ENERGY: 871800 740.1318 2086.6817 1958.6015 98.8905 -206326.0632 17832.2435 0.0000 0.0000 34380.5668 -149228.9474 300.2540 -183609.5142 -149128.8866 298.5451 22.4031 55.8029 556067.0476 -5.8778 -6.0583 PRESSURE: 872000 -32.6929 -26.2928 -0.176298 -26.2932 37.3567 78.1892 -0.177471 78.1896 47.0972 GPRESSURE: 872000 7.04034 -13.6449 51.5384 -35.0577 12.7323 29.1771 -160.672 46.6149 122.131 PRESSAVG: 872000 44.5881 -5.90631 -13.8293 -5.9063 -71.8069 -9.77692 -13.8294 -9.77698 33.5257 GPRESSAVG: 872000 43.9984 -6.63364 -13.5991 -6.79825 -72.5946 -10.609 -15.9082 -10.2821 35.3629 TIMING: 872000 CPU: 2618.51, 0.00302753/step Wall: 2618.51, 0.00302753/step, 3.47157 hours remaining, 207.449219 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: 872000 761.8169 2058.4628 1944.2674 115.5969 -206405.8493 17816.4868 0.0000 0.0000 34339.0003 -149370.2181 299.8910 -183709.2184 -149276.3267 299.6998 17.2537 47.3012 556762.0511 2.1023 2.2556 PRESSURE: 872200 -149.234 -187.293 -26.721 -187.294 -52.5241 -115.862 -26.7202 -115.862 13.7346 GPRESSURE: 872200 -156.581 -110.666 -11.5551 -212.666 37.6976 -193.656 -6.2678 17.0471 37.8878 PRESSAVG: 872200 6.74592 -16.7031 4.28125 -16.7031 23.6608 9.8703 4.28123 9.87023 45.9376 GPRESSAVG: 872200 5.92978 -15.9121 3.68047 -15.1015 24.6977 10.3131 6.40328 9.39795 45.0831 TIMING: 872200 CPU: 2619.12, 0.00300788/step Wall: 2619.12, 0.00300788/step, 3.44887 hours remaining, 207.449219 MB of memory in use. ENERGY: 872200 737.2717 2081.4650 1939.4832 106.6077 -206098.3959 17683.3713 0.0000 0.0000 34147.6202 -149402.5768 298.2197 -183550.1970 -149305.0078 299.9353 -62.6744 -26.9985 557107.2853 25.4481 25.2369 LDB: ============= START OF LOAD BALANCING ============== 2622.63 LDB: ============== END OF LOAD BALANCING =============== 2622.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2622.63 LDB: ============= START OF LOAD BALANCING ============== 2622.93 LDB: Largest compute 4794 load 0.029271 is 24.8% of average load 0.117839 LDB: Average compute 0.001737 is 1.5% of average load 0.117839 LDB: TIME 2622.94 LOAD: AVG 0.117839 MAX 0.203966 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.219 MB LDB: TIME 2622.94 LOAD: AVG 0.117839 MAX 0.203966 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.219 MB LDB: TIME 2622.94 LOAD: AVG 0.117839 MAX 0.203966 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.219 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2622.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2622.94 PRESSURE: 872400 -272.499 -113.29 -9.83878 -113.291 -232.628 -162.575 -9.83839 -162.575 -59.6938 GPRESSURE: 872400 -284.272 -146.43 -87.4595 -80.3739 -146.437 -166.905 29.4134 -161.102 -39.5973 PRESSAVG: 872400 -97.996 -16.2089 8.75442 -16.2089 20.3134 -51.4186 8.7544 -51.4186 18.5104 GPRESSAVG: 872400 -97.6431 -17.2197 8.44283 -17.5139 20.0026 -50.6014 7.86468 -49.7966 18.0983 TIMING: 872400 CPU: 2619.73, 0.00305293/step Wall: 2619.73, 0.00305293/step, 3.50035 hours remaining, 209.308594 MB of memory in use. ENERGY: 872400 732.5147 2107.4825 1939.2964 116.0662 -206065.2917 17634.5704 0.0000 0.0000 34221.5679 -149313.7936 298.8655 -183535.3615 -149219.1704 298.7865 -188.2733 -156.7688 557841.7764 -19.7241 -19.8474 PRESSURE: 872600 42.823 -84.5178 -100.631 -84.518 -171.745 -103.945 -100.63 -103.945 -81.9939 GPRESSURE: 872600 72.6436 -118.991 -98.0021 -98.9891 -125.451 -73.7434 -75.3432 -22.543 -62.3981 PRESSAVG: 872600 -59.8117 -114.875 15.2765 -114.875 45.6002 -20.0715 15.2765 -20.0715 45.331 GPRESSAVG: 872600 -59.2838 -114.507 15.9153 -114.324 44.8588 -19.9438 16.0883 -22.3107 45.5382 TIMING: 872600 CPU: 2620.33, 0.00300276/step Wall: 2620.33, 0.00300276/step, 3.44266 hours remaining, 209.511719 MB of memory in use. ENERGY: 872600 729.4517 2088.0171 1929.7394 111.3939 -206268.9412 17662.3062 0.0000 0.0000 34283.5668 -149464.4662 299.4069 -183748.0330 -149364.5890 299.3908 -70.3053 -38.4017 557936.7057 10.3731 10.3711 PRESSURE: 872800 28.62 19.4959 130.948 19.4979 205.418 12.2247 130.948 12.2249 170.08 GPRESSURE: 872800 45.1712 17.5077 92.0039 -27.5291 227.288 23.3941 124.958 -2.95378 217.455 PRESSAVG: 872800 -27.9085 -39.4146 8.33164 -39.4146 37.8091 -49.4707 8.33158 -49.4706 13.5737 GPRESSAVG: 872800 -27.6546 -38.1821 9.83818 -41.2186 37.7435 -50.3664 5.12384 -49.5817 13.1651 TIMING: 872800 CPU: 2620.92, 0.00298604/step Wall: 2620.92, 0.00298604/step, 3.42333 hours remaining, 209.511719 MB of memory in use. ENERGY: 872800 723.4262 2092.4306 1941.8622 118.6251 -206333.8146 17928.5747 0.0000 0.0000 34184.8182 -149344.0776 298.5445 -183528.8957 -149251.2772 298.5629 134.7057 163.3050 556175.6914 7.8248 7.7513 PRESSURE: 873000 251.862 133.304 11.2119 133.304 16.3603 88.2736 11.2126 88.2747 54.117 GPRESSURE: 873000 264.636 176.875 15.8934 114.751 16.1042 113.586 30.3796 20.8344 136.281 PRESSAVG: 873000 -24.5234 9.39948 12.8928 9.39955 50.0656 -47.8192 12.8928 -47.8193 -18.3627 GPRESSAVG: 873000 -25.3934 9.07479 10.9102 11.6512 50.9261 -47.0503 15.685 -47.1401 -18.3517 TIMING: 873000 CPU: 2621.52, 0.00299657/step Wall: 2621.52, 0.00299657/step, 3.43524 hours remaining, 209.511719 MB of memory in use. ENERGY: 873000 742.6289 2094.0974 1923.8299 100.8289 -206102.7690 17879.2628 0.0000 0.0000 34112.7433 -149249.3779 297.9151 -183362.1211 -149160.8716 298.6589 107.4465 139.0070 555295.8391 2.3932 2.3937 PRESSURE: 873200 -92.3346 -12.3931 -146.278 -12.3937 -206.52 28.9347 -146.279 28.9333 -237.222 GPRESSURE: 873200 -71.2722 -10.5049 -200.579 2.80323 -116.722 -10.6079 -162.834 58.806 -249.97 PRESSAVG: 873200 10.0833 2.20069 -23.8225 2.20062 -9.2838 -36.924 -23.8226 -36.924 4.66098 GPRESSAVG: 873200 11.403 1.91789 -21.7963 2.15628 -9.89365 -38.5319 -25.5239 -36.3562 3.88143 TIMING: 873200 CPU: 2622.12, 0.00300862/step Wall: 2622.12, 0.00300862/step, 3.44888 hours remaining, 209.511719 MB of memory in use. ENERGY: 873200 755.2611 2092.0611 1915.5939 115.3683 -205848.0940 17586.6353 0.0000 0.0000 34266.3184 -149116.8560 299.2563 -183383.1744 -149019.8086 299.0509 -178.6923 -145.9881 558253.5672 1.8202 1.7969 PRESSURE: 873400 -11.2262 -11.3513 -47.2905 -11.3501 -54.3093 -102.878 -47.2911 -102.878 9.13296 GPRESSURE: 873400 17.7697 92.1212 -101.708 -68.458 17.4791 -178.511 7.22848 -20.4462 0.893972 PRESSAVG: 873400 5.97887 73.0584 15.2366 73.0584 7.589 -28.4204 15.2366 -28.4204 -6.45961 GPRESSAVG: 873400 5.68451 74.6204 13.2997 73.1844 7.3773 -27.3205 15.3745 -29.6821 -5.84474 TIMING: 873400 CPU: 2622.73, 0.00300503/step Wall: 2622.73, 0.00300503/step, 3.4446 hours remaining, 209.511719 MB of memory in use. ENERGY: 873400 771.6401 2103.1521 1923.8293 118.8189 -206436.9464 17955.8762 0.0000 0.0000 34385.8262 -149177.8037 300.3000 -183563.6299 -149086.2582 299.9357 -18.8008 12.0476 555908.0692 2.3694 2.4057 PRESSURE: 873600 158.637 -60.4021 42.4172 -60.4029 -5.03218 -123.357 42.4181 -123.358 213.141 GPRESSURE: 873600 163.779 -35.7669 -34.6781 -96.7409 58.0235 -142.338 39.642 -111.452 242.566 PRESSAVG: 873600 45.2601 7.32559 0.291548 7.32562 11.9069 5.20353 0.291453 5.20361 -73.2161 GPRESSAVG: 873600 44.5519 5.49801 0.509692 5.85848 11.6637 5.24751 1.51802 6.56034 -72.6225 TIMING: 873600 CPU: 2623.33, 0.00300994/step Wall: 2623.33, 0.00300994/step, 3.45007 hours remaining, 209.511719 MB of memory in use. ENERGY: 873600 717.6087 2118.7203 1953.7725 112.4329 -206125.9439 17918.5419 0.0000 0.0000 34344.6349 -148960.2327 299.9402 -183304.8676 -148869.9107 299.8318 122.2485 154.7897 557394.9700 -5.3497 -5.4690 PRESSURE: 873800 130.506 11.5858 -89.0093 11.586 230.092 18.8523 -89.0094 18.8512 151.984 GPRESSURE: 873800 137.549 82.2085 -113.439 33.0256 307.687 10.043 -12.789 -3.79676 159.626 PRESSAVG: 873800 -15.3197 21.8755 37.0055 21.8756 79.3384 12.4349 37.0056 12.4347 -2.93525 GPRESSAVG: 873800 -15.3541 22.24 35.1172 22.5676 79.7581 14.7613 37.7061 10.2406 -2.84476 TIMING: 873800 CPU: 2623.93, 0.00303037/step Wall: 2623.93, 0.00303037/step, 3.4733 hours remaining, 209.511719 MB of memory in use. ENERGY: 873800 736.2037 2052.2033 1943.5201 108.3829 -206066.8081 17970.8369 0.0000 0.0000 34235.9125 -149019.7487 298.9907 -183255.6612 -148929.7693 299.2856 170.8608 201.6207 556247.9123 20.3612 20.5197 PRESSURE: 874000 -78.7048 -24.4089 -2.56606 -24.408 -361.312 -76.0715 -2.56596 -76.0706 125.283 GPRESSURE: 874000 -61.8516 -84.067 -50.1714 -61.9302 -237.289 -21.3785 43.82 -34.0267 89.1247 PRESSAVG: 874000 -23.8498 -10.6261 -9.02274 -10.6261 41.6364 5.40943 -9.0227 5.40943 -31.4454 GPRESSAVG: 874000 -23.4537 -10.8422 -7.8645 -11.2364 42.7602 2.30063 -12.2302 7.38232 -32.0518 TIMING: 874000 CPU: 2624.53, 0.00299292/step Wall: 2624.53, 0.00299292/step, 3.43022 hours remaining, 209.511719 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: 874000 758.7740 2124.0856 1947.8869 107.3805 -206103.2847 17630.1432 0.0000 0.0000 34668.0789 -148866.9356 302.7650 -183535.0146 -148770.4184 300.3131 -104.9109 -70.0054 557070.1552 -4.5529 -4.2484 PRESSURE: 874200 11.0747 -101.387 147.665 -101.389 -81.1406 -114.678 147.665 -114.677 -197.387 GPRESSURE: 874200 65.6779 -46.6979 38.1602 -124.589 -57.5996 -138.8 141.455 -28.6782 -183.299 PRESSAVG: 874200 45.9457 -37.1341 19.8423 -37.1342 -9.41948 10.0762 19.8423 10.076 -52.0029 GPRESSAVG: 874200 45.928 -38.035 19.6689 -35.8927 -9.90771 11.3007 20.9798 10.3769 -51.3176 TIMING: 874200 CPU: 2625.13, 0.00296512/step Wall: 2625.13, 0.00296512/step, 3.39819 hours remaining, 209.511719 MB of memory in use. ENERGY: 874200 723.5125 2091.2816 1925.5460 107.9775 -205745.8795 17642.0739 0.0000 0.0000 34315.3456 -148940.1423 299.6844 -183255.4880 -148839.7982 300.7665 -89.1511 -58.4069 557289.5636 -5.1589 -5.0991 PRESSURE: 874400 50.3493 -136.53 -172.617 -136.529 -184.301 -73.2147 -172.618 -73.2147 -278.871 GPRESSURE: 874400 66.4744 -148.74 -142.767 -132.996 -154.19 -92.6355 -159.932 -92.7803 -229.964 PRESSAVG: 874400 29.1629 -42.5508 -38.1665 -42.5508 38.2933 1.62482 -38.1666 1.62483 -91.4968 GPRESSAVG: 874400 30.1999 -40.8106 -36.7936 -42.8983 37.5175 0.379145 -40.2687 2.31996 -92.3061 TIMING: 874400 CPU: 2625.72, 0.00297248/step Wall: 2625.72, 0.00297248/step, 3.40646 hours remaining, 209.511719 MB of memory in use. ENERGY: 874400 799.0336 2067.5161 1938.5786 103.1872 -205599.7156 17571.3948 0.0000 0.0000 34200.5422 -148919.4631 298.6818 -183120.0053 -148814.5804 300.4117 -137.6074 -105.8931 557601.1376 -8.0136 -8.1962 PRESSURE: 874600 -315.729 31.0794 -147.637 31.079 -73.0371 12.4385 -147.637 12.4378 -28.758 GPRESSURE: 874600 -289.554 4.5019 -87.9459 17.7005 -16.1493 -16.2483 -189.82 43.7727 -12.0825 PRESSAVG: 874600 -42.9505 -12.9451 -14.5063 -12.9452 -22.0645 35.2961 -14.5064 35.2961 40.1676 GPRESSAVG: 874600 -44.5337 -13.7428 -15.6901 -12.8128 -20.7425 35.7548 -10.3789 33.8213 40.3506 TIMING: 874600 CPU: 2626.32, 0.00300698/step Wall: 2626.32, 0.00300698/step, 3.44583 hours remaining, 209.511719 MB of memory in use. ENERGY: 874600 784.3199 2088.8833 1916.2119 102.7896 -205992.1042 17660.7004 0.0000 0.0000 34447.3672 -148991.8320 300.8374 -183439.1992 -148896.5942 300.0581 -139.1747 -105.9285 557171.8752 -8.2825 -8.3085 PRESSURE: 874800 50.3978 127.177 195.532 127.177 -14.365 -186.415 195.532 -186.414 -73.2038 GPRESSURE: 874800 94.2758 124.24 167.671 89.073 50.9348 -270.604 202.47 -89.9176 -87.1387 PRESSAVG: 874800 63.0442 13.9366 -26.888 13.9366 -57.5071 30.1635 -26.8879 30.1634 44.6883 GPRESSAVG: 874800 64.3242 16.7537 -26.4943 12.1508 -59.1004 30.9268 -28.4217 31.7461 45.5384 TIMING: 874800 CPU: 2626.92, 0.00297215/step Wall: 2626.92, 0.00297215/step, 3.40576 hours remaining, 209.511719 MB of memory in use. ENERGY: 874800 775.1323 2142.4579 1926.3677 107.0307 -206055.3828 17804.2412 0.0000 0.0000 34433.6407 -148866.5123 300.7175 -183300.1530 -148771.9187 300.1958 -12.3903 19.3573 557014.0367 16.7418 16.9207 PRESSURE: 875000 343.641 -73.2561 87.5816 -73.2553 175.911 70.2515 87.5817 70.2539 118.951 GPRESSURE: 875000 403.367 -26.078 176.558 -54.5558 162.455 50.6138 110.235 57.9955 170.177 PRESSAVG: 875000 63.1269 -56.1559 -33.7578 -56.1558 -23.4808 6.54559 -33.7578 6.54561 -15.8469 GPRESSAVG: 875000 62.7307 -58.3761 -32.7019 -55.1785 -22.6293 5.87409 -33.7477 6.95048 -15.9413 TIMING: 875000 CPU: 2627.52, 0.00300771/step Wall: 2627.52, 0.00300771/step, 3.44633 hours remaining, 209.511719 MB of memory in use. ENERGY: 875000 741.3341 2114.7162 1947.4043 112.9447 -206184.5545 17981.6389 0.0000 0.0000 34445.8264 -148840.6898 300.8240 -183286.5162 -148747.5185 300.8622 212.8345 245.3328 557361.7328 7.9331 8.0534 PRESSURE: 875200 176.634 -145.758 14.2663 -145.758 -91.9529 91.3501 14.2663 91.3497 -100.35 GPRESSURE: 875200 189.624 -91.5356 -3.1073 -120.241 -97.4644 63.076 107.493 115.259 -11.7546 PRESSAVG: 875200 37.5047 -44.1507 -74.051 -44.1506 -77.1049 71.9718 -74.051 71.9718 5.80921 GPRESSAVG: 875200 38.6544 -43.2399 -74.333 -44.7561 -77.5262 72.5504 -73.6082 70.4852 5.00972 TIMING: 875200 CPU: 2628.12, 0.00302908/step Wall: 2628.12, 0.00302908/step, 3.47065 hours remaining, 209.511719 MB of memory in use. ENERGY: 875200 751.0709 2050.8963 1928.7176 114.5510 -205894.7646 17822.8666 0.0000 0.0000 34427.7544 -148798.9079 300.6661 -183226.6623 -148696.7303 300.6552 -5.2230 26.8018 558545.4919 -11.2637 -11.2874 PRESSURE: 875400 -150.138 -37.6151 25.9649 -37.6166 -300.194 -25.7865 25.9651 -25.7849 -147.847 GPRESSURE: 875400 -203.733 -42.5034 -95.8348 58.8045 -223.017 -88.4489 84.0424 47.2049 -66.7296 PRESSAVG: 875400 94.554 6.16349 -39.2915 6.16367 -55.5475 -44.5123 -39.2915 -44.5123 10.0824 GPRESSAVG: 875400 93.7714 2.5336 -41.2227 7.48451 -55.5031 -44.7186 -39.3712 -42.1107 10.6955 TIMING: 875400 CPU: 2628.73, 0.00303858/step Wall: 2628.73, 0.00303858/step, 3.48137 hours remaining, 209.511719 MB of memory in use. ENERGY: 875400 772.6723 2115.4270 1918.6249 108.8950 -205373.7465 17333.0096 0.0000 0.0000 34380.4870 -148744.6307 300.2533 -183125.1177 -148647.6434 300.6051 -199.3927 -164.4932 558710.9092 16.3630 16.3212 PRESSURE: 875600 -157.923 -120.34 -118.037 -120.341 -105.805 10.8105 -118.036 10.8104 -95.1327 GPRESSURE: 875600 -114.117 -98.9387 -114.357 6.1894 -64.8901 56.9883 -118.001 -29.6335 -70.7472 PRESSAVG: 875600 42.3596 31.3919 4.71458 31.3917 -18.5083 -22.9842 4.71456 -22.9843 -35.9239 GPRESSAVG: 875600 41.5982 34.5305 5.34197 29.3154 -17.8657 -23.3493 3.55717 -24.4846 -35.4339 TIMING: 875600 CPU: 2629.34, 0.00302384/step Wall: 2629.34, 0.00302384/step, 3.46431 hours remaining, 209.511719 MB of memory in use. ENERGY: 875600 762.6075 2118.4674 1943.3361 120.6831 -205616.0850 17615.6346 0.0000 0.0000 34287.9793 -148767.3770 299.4455 -183055.3563 -148671.3245 300.6578 -119.6201 -83.2513 558796.3282 -4.0242 -3.9005 PRESSURE: 875800 26.6542 215.724 -127.036 215.723 50.2733 16.5788 -127.035 16.5786 -389.534 GPRESSURE: 875800 85.9819 243.443 -97.2627 204.009 86.4493 80.9465 -135.729 -103.959 -392.416 PRESSAVG: 875800 90.6368 90.8716 -83.7036 90.8716 -47.8499 -20.9732 -83.7036 -20.9731 -8.01164 GPRESSAVG: 875800 91.4008 89.4552 -82.2224 93.2013 -47.362 -20.4981 -83.7168 -21.3161 -8.82445 TIMING: 875800 CPU: 2629.94, 0.00300015/step Wall: 2629.94, 0.00300015/step, 3.437 hours remaining, 209.511719 MB of memory in use. ENERGY: 875800 751.7242 2106.8783 1931.6170 118.4181 -205267.9629 17429.5250 0.0000 0.0000 34247.3297 -148682.4705 299.0904 -182929.8002 -148574.6019 301.2351 -104.2023 -73.3282 557814.3768 11.5917 11.7381 PRESSURE: 876000 -63.9533 -9.49708 -7.51031 -9.49733 -21.2507 50.0958 -7.51088 50.097 -185.161 GPRESSURE: 876000 -34.9849 -90.4356 66.3486 40.9111 23.3394 128.717 -49.2778 80.017 -170.081 PRESSAVG: 876000 -65.6642 33.8894 12.2499 33.8893 28.4866 -18.5129 12.2497 -18.5129 14.5557 GPRESSAVG: 876000 -67.1116 33.0427 10.5701 32.7357 28.6879 -17.3042 12.4364 -18.3309 15.7068 TIMING: 876000 CPU: 2630.53, 0.00298294/step Wall: 2630.53, 0.00298294/step, 3.41713 hours remaining, 209.511719 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: 876000 759.2840 2049.8049 1914.7417 114.8444 -205819.5510 17779.1885 0.0000 0.0000 34477.5953 -148724.0922 301.1014 -183201.6876 -148621.6117 300.4820 -90.1218 -60.5755 558597.0577 -7.5406 -7.5723 PRESSURE: 876200 -351.008 54.0723 211.253 54.0731 -259.332 -5.34867 211.251 -5.34984 136.114 GPRESSURE: 876200 -282.936 -56.2237 239.09 89.2938 -207.241 23.5387 239.156 45.6838 118.692 PRESSAVG: 876200 53.6025 30.2086 5.3977 30.2086 22.5858 91.4044 5.39776 91.4044 -74.7787 GPRESSAVG: 876200 54.7008 31.5 6.14216 30.7238 23.0141 89.8253 4.39257 92.3234 -75.489 TIMING: 876200 CPU: 2631.13, 0.00300267/step Wall: 2631.13, 0.00300267/step, 3.43956 hours remaining, 209.511719 MB of memory in use. ENERGY: 876200 755.6168 2171.6649 1904.5075 115.5442 -205825.1860 17560.2832 0.0000 0.0000 34502.8652 -148814.7041 301.3221 -183317.5693 -148719.1216 300.6457 -158.0752 -123.8283 558206.3482 0.4698 0.7420 LDB: ============= START OF LOAD BALANCING ============== 2634.65 LDB: ============== END OF LOAD BALANCING =============== 2634.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2634.65 LDB: ============= START OF LOAD BALANCING ============== 2634.95 LDB: Largest compute 4794 load 0.030109 is 25.6% of average load 0.117802 LDB: Average compute 0.001740 is 1.5% of average load 0.117802 LDB: TIME 2634.95 LOAD: AVG 0.117802 MAX 0.204838 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.148 MB LDB: TIME 2634.95 LOAD: AVG 0.117802 MAX 0.204838 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.352 MB LDB: TIME 2634.95 LOAD: AVG 0.117802 MAX 0.204838 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.352 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2634.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2634.96 PRESSURE: 876400 13.2053 -44.9348 47.1405 -44.9359 -102.5 94.6539 47.1391 94.655 -27.7774 GPRESSURE: 876400 0.713477 -21.0895 -53.5912 -44.6201 -89.9795 195.72 -4.24781 74.253 67.2242 PRESSAVG: 876400 4.34694 -4.02908 -1.48551 -4.02909 -16.3804 -31.3752 -1.48552 -31.3751 -29.1222 GPRESSAVG: 876400 3.8021 -3.3898 -1.76106 -2.06429 -16.6523 -30.5386 -0.730452 -32.5282 -27.9596 TIMING: 876400 CPU: 2631.74, 0.00304829/step Wall: 2631.74, 0.00304829/step, 3.49165 hours remaining, 206.152344 MB of memory in use. ENERGY: 876400 745.6577 2111.7196 1931.3096 108.1455 -205733.8182 17634.6809 0.0000 0.0000 34473.2710 -148729.0340 301.0636 -183202.3049 -148627.9371 300.1407 -39.0241 -7.3473 558288.2187 -13.7185 -13.6033 PRESSURE: 876600 -100.003 -7.17305 -10.0547 -7.17509 -220.834 -162.443 -10.055 -162.442 2.02934 GPRESSURE: 876600 -29.8137 -20.9833 18.6673 -6.435 -223.633 -190.369 57.7508 -186.043 42.0698 PRESSAVG: 876600 26.8551 80.0208 3.70234 80.0208 -5.81012 -13.2838 3.7023 -13.2839 -23.4515 GPRESSAVG: 876600 27.8845 79.9616 4.52262 77.3745 -5.86208 -13.4389 5.40908 -12.2118 -24.3894 TIMING: 876600 CPU: 2632.33, 0.00295697/step Wall: 2632.33, 0.00295697/step, 3.38688 hours remaining, 206.152344 MB of memory in use. ENERGY: 876600 744.6056 2024.1768 1948.6152 114.3532 -205799.4553 17703.9934 0.0000 0.0000 34424.7018 -148839.0094 300.6395 -183263.7111 -148744.1056 300.9025 -106.2693 -70.4589 557006.6637 -0.8022 -0.7890 PRESSURE: 876800 -54.433 74.8913 38.8036 74.8916 -60.8238 -122.5 38.8051 -122.499 133.839 GPRESSURE: 876800 -99.2071 10.871 -35.8858 134.662 0.903857 -108.325 63.0547 -94.2289 207.939 PRESSAVG: 876800 18.5217 -20.3194 14.8517 -20.3195 -58.9769 -57.2769 14.8516 -57.277 43.793 GPRESSAVG: 876800 18.7014 -23.9899 15.911 -18.0754 -58.7285 -56.907 13.4239 -57.668 43.129 TIMING: 876800 CPU: 2632.93, 0.00298224/step Wall: 2632.93, 0.00298224/step, 3.41565 hours remaining, 206.152344 MB of memory in use. ENERGY: 876800 772.6823 2088.6574 1951.7649 112.6300 -205911.5897 17778.6280 0.0000 0.0000 34350.1787 -148857.0485 299.9887 -183207.2272 -148759.9825 300.7864 6.1940 36.5451 557020.8459 1.1126 1.0339 PRESSURE: 877000 125.688 108.683 73.9672 108.683 129.36 10.8981 73.9679 10.8988 -21.68 GPRESSURE: 877000 156.232 114.506 121.249 41.7963 141.041 3.55814 60.2488 17.6588 28.1552 PRESSAVG: 877000 9.37445 -36.4584 1.50002 -36.4584 30.9737 -1.98504 1.50003 -1.98507 -40.4087 GPRESSAVG: 877000 9.08492 -33.5775 -1.80362 -37.8647 30.7085 -2.57326 5.29386 -3.01171 -41.0623 TIMING: 877000 CPU: 2633.52, 0.00297064/step Wall: 2633.52, 0.00297064/step, 3.4022 hours remaining, 206.152344 MB of memory in use. ENERGY: 877000 783.6542 2058.3014 1936.6834 125.2391 -206030.2182 17938.7667 0.0000 0.0000 34260.4228 -148927.1506 299.2048 -183187.5734 -148834.2940 300.4215 77.7892 108.4762 557776.0158 -0.0202 -0.4230 PRESSURE: 877200 -120.03 38.6628 -61.5101 38.6631 -212.643 -33.5903 -61.5099 -33.5897 -203.596 GPRESSURE: 877200 -54.5172 17.4393 -75.1157 73.4072 -249.398 -16.0914 -46.819 -52.5726 -142.027 PRESSAVG: 877200 16.7327 14.4821 -4.08505 14.482 8.24974 32.1389 -4.08508 32.139 -26.2824 GPRESSAVG: 877200 16.4883 12.4587 -2.96496 16.5644 8.28665 30.3185 -6.5178 33.6723 -26.1926 TIMING: 877200 CPU: 2634.12, 0.00296171/step Wall: 2634.12, 0.00296171/step, 3.39182 hours remaining, 206.152344 MB of memory in use. ENERGY: 877200 737.4905 2152.1273 1912.6354 107.9294 -205733.4059 17655.8382 0.0000 0.0000 34267.2385 -148900.1465 299.2643 -183167.3850 -148807.9957 299.8870 -178.7564 -148.6472 560350.3340 -0.4333 -0.4726 PRESSURE: 877400 5.48339 -11.0948 59.8 -11.094 76.8045 -37.5528 59.7998 -37.5526 18.3627 GPRESSURE: 877400 44.44 27.2447 106.044 -99.3441 113.892 -34.1303 132.027 -28.1984 26.9754 PRESSAVG: 877400 -16.2358 9.73379 65.5238 9.73374 65.0713 69.3407 65.5238 69.3407 -42.1081 GPRESSAVG: 877400 -15.9036 10.8504 66.6856 8.18018 64.6606 71.6937 65.2325 68.3479 -41.4428 TIMING: 877400 CPU: 2634.7, 0.00293447/step Wall: 2634.7, 0.00293447/step, 3.36046 hours remaining, 206.152344 MB of memory in use. ENERGY: 877400 699.8052 2096.0615 1922.5824 112.9128 -206120.7391 17827.2670 0.0000 0.0000 34340.0086 -149122.1017 299.8998 -183462.1103 -149020.2898 299.1803 33.5502 61.7693 557145.1918 2.2425 2.4381 PRESSURE: 877600 -79.3001 -64.3324 -103.386 -64.3311 236.249 72.1304 -103.385 72.1292 -256.749 GPRESSURE: 877600 -77.4778 -34.8234 -65.9661 -49.7745 324.687 68.5426 -168.122 91.2343 -245.705 PRESSAVG: 877600 -56.5904 62.903 -59.6791 62.9031 90.2569 67.3598 -59.6789 67.3597 -34.7759 GPRESSAVG: 877600 -56.6035 62.3429 -59.5304 63.1339 90.228 66.1075 -60.998 68.5606 -34.188 TIMING: 877600 CPU: 2635.3, 0.00297064/step Wall: 2635.3, 0.00297064/step, 3.40172 hours remaining, 206.152344 MB of memory in use. ENERGY: 877600 758.9203 2024.9961 1933.7276 122.0127 -206166.4776 17814.8156 0.0000 0.0000 34222.1917 -149289.8137 298.8709 -183512.0054 -149185.4006 298.6717 -33.2669 0.5014 557362.7271 -0.3698 -0.1879 PRESSURE: 877800 15.3121 -67.7433 -15.0536 -67.7435 298.06 -159.372 -15.0527 -159.372 78.1913 GPRESSURE: 877800 64.1514 -13.3937 26.521 -117.759 312.331 -254.64 -75.7293 -116.785 95.2042 PRESSAVG: 877800 -82.2162 -9.52443 34.8958 -9.52446 103.001 6.06875 34.8959 6.0689 -48.7058 GPRESSAVG: 877800 -81.8074 -8.17409 35.2917 -9.52408 102.98 7.66278 34.7949 4.18312 -48.4539 TIMING: 877800 CPU: 2635.89, 0.00297114/step Wall: 2635.89, 0.00297114/step, 3.40212 hours remaining, 206.152344 MB of memory in use. ENERGY: 877800 730.4731 2049.0448 1917.4423 104.3767 -206072.0473 17933.0516 0.0000 0.0000 34091.8005 -149245.8583 297.7322 -183337.6587 -149150.7167 298.5185 130.5212 157.2289 558007.0430 -9.3071 -9.0937 PRESSURE: 878000 -252.145 -52.3376 -123.158 -52.3388 -146.026 72.7089 -123.158 72.7083 -240.878 GPRESSURE: 878000 -203.455 -89.8824 -136.731 -79.7178 -53.2557 -27.9332 -132.441 134.595 -280.229 PRESSAVG: 878000 -34.3315 -9.04667 -5.32216 -9.04672 54.0039 -33.2509 -5.32214 -33.2511 30.4239 GPRESSAVG: 878000 -35.2167 -7.96448 -5.54422 -9.86341 54.4235 -33.2062 -3.57223 -33.4792 30.9684 TIMING: 878000 CPU: 2636.49, 0.0029711/step Wall: 2636.49, 0.0029711/step, 3.40191 hours remaining, 206.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 878000 765.7542 2076.2673 1932.2898 120.0115 -205995.7003 17587.9046 0.0000 0.0000 34127.6841 -149385.7887 298.0456 -183513.4728 -149290.1756 297.6637 -213.0163 -178.9799 557485.3927 16.6988 16.7251 PRESSURE: 878200 -178.515 -72.7168 133.961 -72.7165 20.4889 68.5491 133.96 68.5497 -4.27241 GPRESSURE: 878200 -162.797 -52.277 103.034 -54.1584 -0.825072 11.8061 38.0114 -41.5034 111.678 PRESSAVG: 878200 9.66581 -22.5179 19.7903 -22.5179 15.2931 24.6792 19.7904 24.6791 3.59355 GPRESSAVG: 878200 11.232 -22.3131 21.2572 -22.4717 14.6401 22.8726 18.8154 26.05 3.16826 TIMING: 878200 CPU: 2637.08, 0.00298565/step Wall: 2637.08, 0.00298565/step, 3.4184 hours remaining, 206.152344 MB of memory in use. ENERGY: 878200 779.7661 2078.5729 1933.7025 110.2233 -206828.3240 17980.2377 0.0000 0.0000 34545.9375 -149399.8841 301.6983 -183945.8216 -149296.3140 298.4974 -54.0994 -17.3148 556538.6620 9.5175 9.6801 PRESSURE: 878400 167.714 13.7865 -75.8639 13.787 239.2 -303.132 -75.8634 -303.131 -106.38 GPRESSURE: 878400 109.704 34.2299 -52.8122 73.9587 267.778 -339.387 -81.7895 -239.112 19.0468 PRESSAVG: 878400 -15.2403 17.7564 -22.7769 17.7563 44.8755 8.93327 -22.7769 8.93336 28.6578 GPRESSAVG: 878400 -15.6159 15.9438 -22.3066 18.9164 45.693 10.2341 -23.5786 7.68341 28.5118 TIMING: 878400 CPU: 2637.69, 0.00302284/step Wall: 2637.69, 0.00302284/step, 3.46081 hours remaining, 206.152344 MB of memory in use. ENERGY: 878400 771.2992 2057.6151 1952.4734 111.5227 -206830.5559 18243.0825 0.0000 0.0000 34412.2830 -149282.2800 300.5310 -183694.5630 -149192.9515 299.1769 100.1780 132.1764 557038.0288 19.4310 19.5296 PRESSURE: 878600 33.6685 33.6581 216.255 33.6574 70.6904 -56.3419 216.256 -56.3423 -67.4147 GPRESSURE: 878600 117.84 51.2652 205.086 53.8289 84.0532 -65.4314 263.89 -148.189 -80.2178 PRESSAVG: 878600 -84.5895 11.5891 19.089 11.589 38.9787 -39.0273 19.0889 -39.0273 -6.31464 GPRESSAVG: 878600 -86.2408 11.1316 16.569 12.4743 40.0704 -39.8366 22.6451 -38.6739 -5.99646 TIMING: 878600 CPU: 2638.29, 0.00301715/step Wall: 2638.29, 0.00301715/step, 3.45414 hours remaining, 206.152344 MB of memory in use. ENERGY: 878600 728.6318 2067.8564 1971.6704 117.7423 -206355.1508 17898.9204 0.0000 0.0000 34164.2334 -149406.0962 298.3647 -183570.3296 -149315.9794 298.2905 12.3147 40.5585 557047.7805 -17.3085 -17.3890 PRESSURE: 878800 -129.208 -3.53313 -112.203 -3.53214 -2.82653 -1.21268 -112.204 -1.21297 -109.137 GPRESSURE: 878800 -129.091 7.03823 -115.143 -18.4691 51.7341 -30.8578 -45.7579 -15.7149 -71.917 PRESSAVG: 878800 -45.6348 9.61139 10.9637 9.6114 70.8669 -23.3248 10.9637 -23.3248 -9.33792 GPRESSAVG: 878800 -45.0119 11.9474 12.7343 6.67238 70.8503 -22.9352 7.33026 -24.0262 -10.0054 TIMING: 878800 CPU: 2638.9, 0.00302108/step Wall: 2638.9, 0.00302108/step, 3.45847 hours remaining, 206.152344 MB of memory in use. ENERGY: 878800 745.0897 2088.7528 1928.9614 118.9078 -205982.6596 17556.0984 0.0000 0.0000 34225.6366 -149319.2130 298.9010 -183544.8496 -149225.2800 298.7597 -80.3906 -49.7581 556227.0570 5.2981 5.2777 PRESSURE: 879000 -245.526 118.166 146.374 118.167 -437.421 28.4321 146.373 28.4325 -195.663 GPRESSURE: 879000 -253.484 126.733 169.421 110.768 -378.975 28.8356 61.9721 -57.7953 -132.754 PRESSAVG: 879000 -79.2901 -23.7141 -37.8355 -23.7141 33.2256 -0.0542278 -37.8355 -0.054251 61.6829 GPRESSAVG: 879000 -78.5262 -27.3293 -39.1463 -20.0508 31.896 -0.782331 -36.2439 1.2092 61.9533 TIMING: 879000 CPU: 2639.49, 0.00297849/step Wall: 2639.49, 0.00297849/step, 3.40955 hours remaining, 206.152344 MB of memory in use. ENERGY: 879000 752.5813 2044.0145 1941.0140 132.5227 -205830.1284 17435.5482 0.0000 0.0000 34415.6722 -149108.7756 300.5606 -183524.4478 -149016.2893 299.4333 -292.8698 -255.0709 557579.8124 5.2061 5.1077 PRESSURE: 879200 -34.6467 9.0087 -26.9136 9.00728 106.466 -82.4377 -26.9135 -82.4382 60.4882 GPRESSURE: 879200 -48.8757 -24.9127 14.7674 51.6381 161.437 -102.602 70.4948 -144.223 115.223 PRESSAVG: 879200 9.14514 26.1297 -2.76795 26.1297 -7.49399 -28.2649 -2.76795 -28.2649 9.60353 GPRESSAVG: 879200 8.54041 26.7466 -3.34301 25.5454 -5.85349 -28.4188 -2.50422 -30.0813 8.58977 TIMING: 879200 CPU: 2640.09, 0.00299638/step Wall: 2640.09, 0.00299638/step, 3.42986 hours remaining, 206.152344 MB of memory in use. ENERGY: 879200 738.2149 2129.9362 1926.4151 106.3559 -206412.1604 17888.1350 0.0000 0.0000 34404.0305 -149219.0728 300.4590 -183623.1033 -149115.0247 300.2577 44.1026 75.9282 556224.8838 3.7516 3.7589 PRESSURE: 879400 -128.425 -55.701 -58.7898 -55.7002 171.456 -128.928 -58.7901 -128.928 106.435 GPRESSURE: 879400 -61.2867 -12.6352 -102.566 -45.2045 198.044 -102.249 -38.2053 -173.778 107.009 PRESSAVG: 879400 -43.5416 -2.0975 6.2013 -2.09748 65.6009 -3.13555 6.20131 -3.13554 1.74198 GPRESSAVG: 879400 -42.7938 2.48006 8.75341 -4.57469 65.0106 -0.240561 6.2207 -4.37018 2.33076 TIMING: 879400 CPU: 2640.69, 0.00298306/step Wall: 2640.69, 0.00298306/step, 3.41445 hours remaining, 206.152344 MB of memory in use. ENERGY: 879400 768.7437 2039.4912 1928.5675 103.0063 -206125.7792 17715.6592 0.0000 0.0000 34451.5996 -149118.7118 300.8744 -183570.3113 -149020.8159 299.7942 49.8222 81.2556 556673.9745 7.9338 8.1825 PRESSURE: 879600 -140.279 193.815 -20.6269 193.814 144.223 62.9237 -20.6272 62.9238 125.277 GPRESSURE: 879600 -53.7546 200.225 -29.3243 205.987 143.728 101.316 62.7543 17.6216 139.797 PRESSAVG: 879600 -31.8899 -5.12143 34.085 -5.12141 45.316 -6.54162 34.085 -6.54159 -28.2427 GPRESSAVG: 879600 -32.1268 -6.61637 32.626 -5.76356 44.7448 -8.84524 35.0695 -5.37351 -27.4445 TIMING: 879600 CPU: 2641.28, 0.00298194/step Wall: 2641.28, 0.00298194/step, 3.413 hours remaining, 206.152344 MB of memory in use. ENERGY: 879600 774.2645 2075.4851 1932.3256 115.2774 -205943.5537 17602.9480 0.0000 0.0000 34348.1583 -149095.0947 299.9710 -183443.2531 -149002.2252 299.2297 43.0736 76.5903 555867.4537 -4.9389 -4.9422 PRESSURE: 879800 -145.236 -11.6598 -228.869 -11.659 126.475 22.5828 -228.87 22.5834 113.907 GPRESSURE: 879800 -131.841 44.3914 -231.378 34.7429 172.168 39.3953 -169.809 -0.221887 150.258 PRESSAVG: 879800 14.5222 44.9474 44.9658 44.9473 20.3576 47.5506 44.9658 47.5506 -10.0783 GPRESSAVG: 879800 13.8683 45.0398 45.0347 44.9957 20.2739 48.6244 43.6039 49.2211 -10.1985 TIMING: 879800 CPU: 2641.88, 0.00299654/step Wall: 2641.88, 0.00299654/step, 3.42954 hours remaining, 206.152344 MB of memory in use. ENERGY: 879800 765.7170 2061.1768 1921.9392 115.6668 -205862.9307 17795.6989 0.0000 0.0000 34196.1197 -149006.6123 298.6432 -183202.7320 -148909.2940 299.8164 31.7151 63.5281 556742.1528 8.2672 7.9812 PRESSURE: 880000 206.817 -82.6378 -5.37199 -82.6378 84.3222 -11.8035 -5.37203 -11.8025 -90.151 GPRESSURE: 880000 236.912 -57.1874 19.2564 -28.1463 102.737 -49.7716 28.4412 6.4156 -37.8952 PRESSAVG: 880000 20.982 20.7549 -15.1065 20.7549 35.8526 3.58129 -15.1065 3.5812 -87.4918 GPRESSAVG: 880000 22.1827 19.4674 -15.3159 22.1601 36.0564 1.22315 -14.5629 2.75761 -88.5274 TIMING: 880000 CPU: 2642.48, 0.0029783/step Wall: 2642.48, 0.0029783/step, 3.4085 hours remaining, 206.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 880000 723.8935 2064.5220 1938.8311 119.4343 -205850.9547 17778.5490 0.0000 0.0000 34244.1967 -148981.5281 299.0631 -183225.7248 -148883.2602 299.7408 66.9961 100.5849 557675.4939 -10.2191 -10.0961 PRESSURE: 880200 -179.379 -35.4077 126.9 -35.4084 -65.6256 -280.552 126.899 -280.553 -78.55 GPRESSURE: 880200 -114.843 -48.1961 81.9172 0.979749 -34.4945 -281.613 156.681 -348.937 -67.6461 PRESSAVG: 880200 78.2722 -16.2019 58.0848 -16.2019 -38.3383 55.9145 58.0848 55.9146 -51.4335 GPRESSAVG: 880200 78.9707 -15.5777 58.3548 -16.9819 -38.9258 56.2664 57.6171 56.5888 -52.3234 TIMING: 880200 CPU: 2643.07, 0.00295839/step Wall: 2643.07, 0.00295839/step, 3.38555 hours remaining, 206.152344 MB of memory in use. ENERGY: 880200 737.9328 2056.7791 1938.4473 112.4679 -205869.9664 17535.2833 0.0000 0.0000 34544.6339 -148944.4222 301.6869 -183489.0560 -148837.8685 300.4988 -107.8517 -72.3279 556936.7768 -3.8332 -4.0928 LDB: ============= START OF LOAD BALANCING ============== 2646.58 LDB: ============== END OF LOAD BALANCING =============== 2646.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2646.59 LDB: ============= START OF LOAD BALANCING ============== 2646.88 LDB: Largest compute 4794 load 0.027174 is 23.1% of average load 0.117875 LDB: Average compute 0.001730 is 1.5% of average load 0.117875 LDB: TIME 2646.88 LOAD: AVG 0.117875 MAX 0.202248 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.469 MB LDB: TIME 2646.88 LOAD: AVG 0.117875 MAX 0.202248 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.512 MB LDB: TIME 2646.88 LOAD: AVG 0.117875 MAX 0.202248 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.512 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2646.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2646.89 PRESSURE: 880400 145.226 54.639 101.642 54.6395 210.279 -52.9349 101.641 -52.9347 -27.8109 GPRESSURE: 880400 214.066 73.5426 47.8867 32.8709 250.941 -66.2824 82.5781 -76.4951 -44.513 PRESSAVG: 880400 -25.6462 9.58547 -10.4574 9.58541 0.275086 23.041 -10.4575 23.0409 5.36219 GPRESSAVG: 880400 -26.3376 10.6796 -10.7172 10.151 0.632503 25.1041 -9.7558 23.3821 5.43386 TIMING: 880400 CPU: 2643.67, 0.00301822/step Wall: 2643.67, 0.00301822/step, 3.45385 hours remaining, 206.937500 MB of memory in use. ENERGY: 880400 739.5174 2089.6201 1933.2855 117.3358 -205989.7874 17916.0088 0.0000 0.0000 34313.8598 -148880.1602 299.6715 -183194.0199 -148783.7535 300.6677 109.2312 140.1647 557992.3533 -6.6697 -6.7571 PRESSURE: 880600 -73.8433 163.783 -234.814 163.784 -39.2315 -114.701 -234.814 -114.7 -65.1292 GPRESSURE: 880600 -28.8264 135.363 -252.618 198.67 -10.4901 -107.374 -261.524 -53.7278 -35.066 PRESSAVG: 880600 28.7172 68.9149 -17.0515 68.9149 34.5779 -71.2733 -17.0515 -71.2733 -4.24867 GPRESSAVG: 880600 29.1289 67.3543 -17.2933 69.481 33.9909 -73.4292 -17.2451 -70.5714 -3.96074 TIMING: 880600 CPU: 2644.27, 0.00298761/step Wall: 2644.27, 0.00298761/step, 3.41866 hours remaining, 206.937500 MB of memory in use. ENERGY: 880600 735.8969 2075.4220 1914.7376 120.9967 -205843.1000 17795.7537 0.0000 0.0000 34228.7392 -148971.5540 298.9281 -183200.2931 -148872.9300 299.8558 -59.4013 -24.7942 559587.6132 19.6822 19.7197 PRESSURE: 880800 127.975 10.9496 38.4449 10.9499 261.113 166.293 38.4449 166.293 17.1698 GPRESSURE: 880800 104.178 36.7224 63.7501 -41.7778 296.084 190.195 54.993 146.323 101.057 PRESSAVG: 880800 15.6584 4.79317 -54.186 4.79323 12.5909 -13.8247 -54.186 -13.8248 -24.1001 GPRESSAVG: 880800 15.4901 5.52328 -52.7032 4.31752 14.1407 -13.0072 -53.6528 -16.3717 -24.9444 TIMING: 880800 CPU: 2644.86, 0.00296126/step Wall: 2644.86, 0.00296126/step, 3.38834 hours remaining, 207.195312 MB of memory in use. ENERGY: 880800 748.2467 2051.2142 1916.5752 114.7407 -205962.4071 17824.5861 0.0000 0.0000 34475.2609 -148831.7834 301.0810 -183307.0443 -148738.3756 300.2260 135.4193 167.1061 557467.1336 1.3831 1.5621 PRESSURE: 881000 -407.766 -166.001 145.996 -166.002 -268.22 108.578 145.997 108.579 -87.6039 GPRESSURE: 881000 -336.115 -162.644 85.2525 -108.027 -248.881 76.9645 144.859 112.35 -91.3433 PRESSAVG: 881000 -3.78317 10.9864 -21.5545 10.9865 0.676319 44.4725 -21.5544 44.4725 -30.9948 GPRESSAVG: 881000 -4.95257 10.8591 -22.205 10.6065 0.623888 41.9036 -22.0321 48.1449 -30.3474 TIMING: 881000 CPU: 2645.46, 0.00296617/step Wall: 2645.46, 0.00296617/step, 3.3938 hours remaining, 207.195312 MB of memory in use. ENERGY: 881000 730.4228 2070.3215 1936.0912 110.4461 -205559.0181 17437.5192 0.0000 0.0000 34276.8204 -148997.3970 299.3480 -183274.2174 -148900.1887 300.1751 -254.5299 -225.4462 558797.8239 -11.3672 -11.5587 PRESSURE: 881200 128.578 7.68876 -168.088 7.68805 151.742 181.432 -168.088 181.43 106.27 GPRESSURE: 881200 130.013 51.6726 -133.865 -60.6076 195.107 215.288 -230.726 119.944 162.543 PRESSAVG: 881200 13.6316 -25.1671 -19.5968 -25.167 -10.0428 40.126 -19.5967 40.1261 -9.8521 GPRESSAVG: 881200 14.0894 -23.318 -20.0816 -26.291 -10.3052 41.3878 -20.5587 38.0125 -10.5533 TIMING: 881200 CPU: 2646.05, 0.00298344/step Wall: 2646.05, 0.00298344/step, 3.41339 hours remaining, 207.195312 MB of memory in use. ENERGY: 881200 747.1205 2084.9825 1938.8480 111.6968 -206325.9554 18097.1294 0.0000 0.0000 34286.0125 -149060.1658 299.4283 -183346.1783 -148966.8171 299.6987 128.8631 162.5545 556734.8806 -2.0878 -2.2564 PRESSURE: 881400 202.642 174.77 -33.5837 174.77 128.841 -106.092 -33.5837 -106.093 253.722 GPRESSURE: 881400 217.273 183.281 -26.5555 116.328 242.096 -114.602 9.65318 -52.4755 232.097 PRESSAVG: 881400 8.41336 -5.75222 11.7814 -5.75225 48.6714 -8.78928 11.7813 -8.7894 -82.0383 GPRESSAVG: 881400 9.09938 -6.99025 10.8641 -5.8608 47.6622 -8.8389 12.694 -8.72774 -81.127 TIMING: 881400 CPU: 2646.65, 0.00299921/step Wall: 2646.65, 0.00299921/step, 3.43127 hours remaining, 207.195312 MB of memory in use. ENERGY: 881400 721.5766 2133.3536 1900.0432 114.5522 -206255.2580 17945.3188 0.0000 0.0000 34215.2809 -149225.1327 298.8106 -183440.4136 -149130.7576 299.7266 195.0682 230.4891 556779.8237 -8.3178 -8.1218 PRESSURE: 881600 -250.939 -38.5614 159.553 -38.5604 -101.835 -53.8659 159.553 -53.8644 14.6255 GPRESSURE: 881600 -223.255 -38.0297 95.4966 -21.4434 -67.9194 -10.8647 180.414 -41.5507 54.1472 PRESSAVG: 881600 -15.3125 13.8526 26.3425 13.8527 21.4714 -10.9745 26.3425 -10.9746 40.5933 GPRESSAVG: 881600 -16.0781 12.3117 25.5175 15.7264 21.0552 -9.50154 24.2579 -11.6755 42.4018 TIMING: 881600 CPU: 2647.25, 0.00299997/step Wall: 2647.25, 0.00299997/step, 3.43197 hours remaining, 207.195312 MB of memory in use. ENERGY: 881600 731.9594 2039.3852 1919.0368 109.9420 -205904.6612 17582.9939 0.0000 0.0000 34358.8790 -149162.4649 300.0646 -183521.3439 -149064.2021 300.1986 -112.7163 -79.0092 557233.8844 15.5840 15.7930 PRESSURE: 881800 -171.957 33.98 50.3024 33.9794 -24.738 -2.7038 50.3019 -2.7044 -59.3205 GPRESSURE: 881800 -113.591 -28.5716 47.1261 31.7387 -22.6418 -37.3043 -26.5882 59.1847 -42.9867 PRESSAVG: 881800 -41.6455 -1.83179 11.2485 -1.83178 11.9513 54.584 11.2484 54.584 31.4404 GPRESSAVG: 881800 -42.0503 -1.0669 11.8259 -4.90038 13.4622 54.2477 13.9712 53.5515 30.4319 TIMING: 881800 CPU: 2647.85, 0.00300631/step Wall: 2647.85, 0.00300631/step, 3.43905 hours remaining, 207.195312 MB of memory in use. ENERGY: 881800 761.7391 2039.9131 1936.8129 107.8814 -205605.2638 17496.4890 0.0000 0.0000 34296.8917 -148965.5366 299.5233 -183262.4282 -148874.3943 300.0653 -85.3384 -59.7397 557395.8430 0.5821 0.6146 PRESSURE: 882000 -110.964 126.785 -114.768 126.786 -279.228 -69.6101 -114.767 -69.6099 85.6901 GPRESSURE: 882000 -50.211 100.412 -110.029 80.0453 -311.876 -77.3956 -114.803 -51.5674 142.074 PRESSAVG: 882000 -41.7654 16.8654 -33.1496 16.8654 0.85917 -15.8274 -33.1495 -15.8274 18.6026 GPRESSAVG: 882000 -41.6754 16.4928 -32.6382 17.0246 0.0361624 -16.639 -36.8429 -15.2895 19.7436 TIMING: 882000 CPU: 2648.46, 0.00301232/step Wall: 2648.46, 0.00301232/step, 3.44576 hours remaining, 207.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 882000 760.2517 2162.7718 1940.8173 116.1434 -205558.9316 17483.5637 0.0000 0.0000 34183.9799 -148911.4038 298.5372 -183095.3837 -148820.5329 299.3930 -101.5006 -73.3377 559073.6573 -7.4346 -7.2985 PRESSURE: 882200 213.227 113.992 17.6384 113.993 -228.412 102.676 17.6389 102.675 -163.967 GPRESSURE: 882200 244.95 135.807 61.7907 70.0093 -192.729 85.2176 27.0975 108.097 -128.632 PRESSAVG: 882200 9.97047 60.5295 -12.0111 60.5294 -27.5549 -27.2188 -12.0112 -27.2189 -0.612392 GPRESSAVG: 882200 10.6551 59.1348 -10.1202 62.6471 -27.8704 -27.9673 -9.58674 -24.8465 -1.09819 TIMING: 882200 CPU: 2649.06, 0.00302917/step Wall: 2649.06, 0.00302917/step, 3.46486 hours remaining, 207.195312 MB of memory in use. ENERGY: 882200 744.4966 2059.6249 1945.2225 112.7757 -205894.5562 17759.1758 0.0000 0.0000 34321.6320 -148951.6288 299.7393 -183273.2607 -148855.6453 299.5452 -59.7175 -25.4707 558098.7988 -6.0656 -6.1045 PRESSURE: 882400 116.219 -14.9864 0.911477 -14.9859 48.935 -127.702 0.911703 -127.703 -143.394 GPRESSURE: 882400 156.02 -40.6838 -15.7979 4.18535 70.7259 -108.129 -24.7267 -89.3922 -105.758 PRESSAVG: 882400 21.9791 -25.0023 5.73238 -25.0024 -36.8683 40.6176 5.73237 40.6176 54.1985 GPRESSAVG: 882400 21.092 -23.8091 5.36983 -26.7368 -36.0384 43.1372 5.5495 37.2762 53.745 TIMING: 882400 CPU: 2649.66, 0.00299809/step Wall: 2649.66, 0.00299809/step, 3.42915 hours remaining, 207.195312 MB of memory in use. ENERGY: 882400 720.2969 2085.8709 1940.2888 95.5676 -205820.6553 17665.0288 0.0000 0.0000 34152.9541 -149160.6483 298.2662 -183313.6024 -149068.4958 299.5162 7.2533 40.3292 558220.7616 13.1031 12.9328 PRESSURE: 882600 -273.793 101.315 74.0677 101.315 -108.798 22.9532 74.0673 22.9534 58.7492 GPRESSURE: 882600 -192.348 40.0609 81.1543 57.1536 -97.3693 106.13 -22.0473 -62.4642 68.0878 PRESSAVG: 882600 -23.9848 29.6899 -11.4801 29.69 4.66121 11.3637 -11.4801 11.3638 12.8067 GPRESSAVG: 882600 -22.7256 28.7601 -13.3653 28.6673 2.96414 12.1319 -10.2679 11.9691 13.5195 TIMING: 882600 CPU: 2650.26, 0.0030026/step Wall: 2650.26, 0.0030026/step, 3.43414 hours remaining, 207.195312 MB of memory in use. ENERGY: 882600 785.3669 2157.7579 1937.4640 101.8097 -206161.1415 17712.0786 0.0000 0.0000 34307.2259 -149159.4385 299.6135 -183466.6644 -149068.9529 299.7246 -107.9473 -73.8766 558779.4454 -2.1723 -2.0806 PRESSURE: 882800 60.5829 56.2932 -46.6513 56.2925 -264.604 -29.9837 -46.6507 -29.9837 -180.24 GPRESSURE: 882800 104.552 200.517 17.205 -21.3821 -211.547 -36.223 -61.669 4.50021 -188.823 PRESSAVG: 882800 -12.135 2.05672 61.4965 2.05674 -37.5976 24.1839 61.4965 24.1839 -1.81498 GPRESSAVG: 882800 -12.6899 5.34253 61.8224 3.3753 -36.6174 21.2973 59.5649 25.6642 -2.77119 TIMING: 882800 CPU: 2650.86, 0.00300657/step Wall: 2650.86, 0.00300657/step, 3.43851 hours remaining, 207.195312 MB of memory in use. ENERGY: 882800 762.8650 2113.7539 1932.7675 114.2774 -206081.8896 17785.8873 0.0000 0.0000 34304.5355 -149067.8031 299.5900 -183372.3385 -148969.5782 299.3812 -128.0870 -98.6061 560256.9713 -17.1825 -17.3595 PRESSURE: 883000 21.6788 160.786 -155.679 160.786 -200.593 4.84491 -155.678 4.84417 -169.223 GPRESSURE: 883000 45.6993 45.1685 -179.366 263.366 -157.022 -47.3666 -147.243 81.9184 -146.048 PRESSAVG: 883000 -51.9518 33.6731 9.74318 33.6731 4.58445 -13.8725 9.74321 -13.8726 31.7733 GPRESSAVG: 883000 -53.4102 30.4401 8.64942 35.7595 4.98692 -15.0822 10.2802 -13.4947 32.0201 TIMING: 883000 CPU: 2651.47, 0.00303015/step Wall: 2651.47, 0.00303015/step, 3.46531 hours remaining, 207.195312 MB of memory in use. ENERGY: 883000 756.7521 2091.4822 1921.3423 113.5775 -206098.0885 17798.7923 0.0000 0.0000 34324.5081 -149091.6340 299.7645 -183416.1421 -148991.4392 299.4993 -116.0458 -85.7900 557398.1253 -5.1980 -5.4677 PRESSURE: 883200 -89.6284 -90.1191 60.576 -90.1198 -16.8052 -69.5136 60.5765 -69.5111 322.016 GPRESSURE: 883200 -92.9081 -98.8035 10.0511 -89.0418 39.207 3.23602 47.5168 30.3935 366.902 PRESSAVG: 883200 -20.3494 -59.9795 5.49458 -59.9795 -0.456576 6.81733 5.49469 6.81735 -1.35645 GPRESSAVG: 883200 -19.74 -59.5538 6.20415 -59.1267 -0.341529 9.02019 5.11441 6.93389 -2.46106 TIMING: 883200 CPU: 2652.08, 0.00302411/step Wall: 2652.08, 0.00302411/step, 3.45824 hours remaining, 207.195312 MB of memory in use. ENERGY: 883200 739.0176 2086.7495 1889.3534 101.9220 -206091.9149 17851.7806 0.0000 0.0000 34333.9607 -149089.1310 299.8470 -183423.0917 -148980.3360 299.2560 71.8607 104.4004 557570.4240 -7.3875 -7.5142 PRESSURE: 883400 46.5085 -29.1775 270.808 -29.1776 -118.614 26.8193 270.807 26.8164 -98.9528 GPRESSURE: 883400 77.4979 -62.9686 219.607 9.04929 -122.722 53.2098 298.902 4.70312 -28.9877 PRESSAVG: 883400 141.462 -25.608 -14.7811 -25.608 -16.0203 -19.4356 -14.7812 -19.4357 -101.32 GPRESSAVG: 883400 141.41 -25.203 -14.0653 -25.7997 -16.5601 -19.461 -12.3216 -20.4096 -101.181 TIMING: 883400 CPU: 2652.68, 0.00300028/step Wall: 2652.68, 0.00300028/step, 3.43082 hours remaining, 207.195312 MB of memory in use. ENERGY: 883400 725.8413 2092.5230 1910.8151 98.6649 -206028.5829 17639.7251 0.0000 0.0000 34403.5422 -149157.4714 300.4547 -183561.0135 -149065.5282 300.0750 -57.0194 -24.7372 556306.0894 8.0405 7.8897 PRESSURE: 883600 4.48254 150.699 45.3814 150.7 -120.346 128.181 45.3804 128.18 40.6397 GPRESSURE: 883600 20.3348 120.633 43.373 180.904 -46.4361 168.849 64.0199 172.244 42.9105 PRESSAVG: 883600 24.1442 -30.6621 50.3973 -30.662 56.3781 -50.1443 50.3974 -50.1443 -40.2565 GPRESSAVG: 883600 25.2644 -28.3247 48.9899 -32.6318 56.0012 -48.6519 50.1302 -50.3394 -41.539 TIMING: 883600 CPU: 2653.28, 0.00300663/step Wall: 2653.28, 0.00300663/step, 3.43792 hours remaining, 207.195312 MB of memory in use. ENERGY: 883600 744.6540 2095.9207 1907.6846 119.1012 -206028.9426 17673.4424 0.0000 0.0000 34268.1876 -149219.9521 299.2726 -183488.1397 -149125.5599 299.7730 -25.0746 5.6031 556317.0611 13.4219 13.2422 PRESSURE: 883800 -124.954 33.0366 31.866 33.0373 17.6697 -54.055 31.8658 -54.0542 -125.209 GPRESSURE: 883800 -113.209 45.4551 101.784 67.2438 -11.9587 -83.4776 -21.5011 -67.048 -25.9528 PRESSAVG: 883800 49.9305 -30.3442 -41.3978 -30.3442 -47.1779 -5.89943 -41.3977 -5.89948 16.6364 GPRESSAVG: 883800 48.9556 -30.6083 -41.5008 -29.814 -46.9377 -7.42255 -43.3491 -5.59525 17.7055 TIMING: 883800 CPU: 2653.88, 0.0030203/step Wall: 2653.88, 0.0030203/step, 3.45337 hours remaining, 207.195312 MB of memory in use. ENERGY: 883800 726.3006 2107.9912 1886.2268 119.1189 -206027.2303 17603.9012 0.0000 0.0000 34152.0353 -149431.6563 298.2582 -183583.6916 -149330.1972 298.5095 -77.4976 -50.3733 555867.8035 6.4630 6.5744 PRESSURE: 884000 -36.6533 41.0361 60.5634 41.0373 -160.888 95.7111 60.5633 95.712 78.1309 GPRESSURE: 884000 8.58005 50.5671 37.0864 -8.33575 -152.075 116.738 92.061 116.07 112.513 PRESSAVG: 884000 -12.0144 45.9397 58.9496 45.9398 30.9743 -26.9226 58.9496 -26.9225 -39.1427 GPRESSAVG: 884000 -11.0391 44.4409 59.2655 46.0867 30.5453 -26.6874 59.7463 -26.1244 -39.5408 TIMING: 884000 CPU: 2654.49, 0.00302264/step Wall: 2654.49, 0.00302264/step, 3.45589 hours remaining, 207.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 884000 742.8778 2060.4830 1919.6023 112.6994 -206321.5934 17722.4507 0.0000 0.0000 34469.4493 -149294.0309 301.0303 -183763.4803 -149193.7859 298.7550 -39.8034 -10.3272 556924.0652 -6.7276 -6.6782 PRESSURE: 884200 117.677 105.809 87.9727 105.809 -144.767 185.079 87.9717 185.079 -25.6641 GPRESSURE: 884200 119.561 144.254 90.9483 154.969 -74.9493 98.3466 146.826 229.153 2.31587 PRESSAVG: 884200 5.20485 74.9403 -12.0594 74.9402 63.3671 48.2215 -12.0594 48.2217 -42.5472 GPRESSAVG: 884200 4.63883 73.9049 -11.3267 77.107 62.1725 47.1137 -12.1045 46.7155 -41.3881 TIMING: 884200 CPU: 2655.09, 0.00300719/step Wall: 2655.09, 0.00300719/step, 3.43805 hours remaining, 207.195312 MB of memory in use. ENERGY: 884200 699.1566 2126.2030 1945.1996 109.6710 -206167.7842 17692.9160 0.0000 0.0000 34243.6825 -149350.9555 299.0586 -183594.6380 -149256.0290 299.3714 -17.5845 15.6424 556937.9537 8.6749 8.4744 LDB: ============= START OF LOAD BALANCING ============== 2658.61 LDB: ============== END OF LOAD BALANCING =============== 2658.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2658.61 LDB: ============= START OF LOAD BALANCING ============== 2658.91 LDB: Largest compute 4794 load 0.027500 is 23.3% of average load 0.117840 LDB: Average compute 0.001735 is 1.5% of average load 0.117840 LDB: TIME 2658.91 LOAD: AVG 0.11784 MAX 0.205343 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.195 MB LDB: TIME 2658.91 LOAD: AVG 0.11784 MAX 0.205343 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.195 MB LDB: TIME 2658.91 LOAD: AVG 0.11784 MAX 0.205343 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.195 MB LDB: ============== END OF LOAD BALANCING =============== 2658.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 2658.92 Info: useSync: 0 useProxySync: 0 PRESSURE: 884400 172.407 -125.274 -118.336 -125.276 450.127 42.0482 -118.337 42.0466 82.5128 GPRESSURE: 884400 187.535 -186.396 -123.202 -133.943 497.574 89.2707 -76.646 45.7808 123.106 PRESSAVG: 884400 -20.3786 71.4099 18.1388 71.4099 71.4169 -21.1786 18.1388 -21.1787 -37.1749 GPRESSAVG: 884400 -19.8733 72.5234 16.1683 69.3827 71.6166 -19.5936 18.8674 -21.8112 -37.6604 TIMING: 884400 CPU: 2655.7, 0.00307712/step Wall: 2655.7, 0.00307712/step, 3.51783 hours remaining, 207.195312 MB of memory in use. ENERGY: 884400 694.2933 2053.1777 1947.1238 109.6162 -206711.5427 18076.5243 0.0000 0.0000 34427.5302 -149403.2773 300.6642 -183830.8075 -149306.8449 299.0341 235.0156 269.4052 555998.4059 4.6211 4.6943 PRESSURE: 884600 -234.188 -90.431 -151.846 -90.4309 -282.051 -118.818 -151.847 -118.819 -345.565 GPRESSURE: 884600 -196.123 4.01471 -125.866 -192.293 -267.089 -45.894 -111.637 -34.5902 -291.793 PRESSAVG: 884600 -62.4617 -13.7578 -36.8955 -13.7579 35.7055 -9.30082 -36.8954 -9.30082 -7.9098 GPRESSAVG: 884600 -62.198 -13.4055 -34.1693 -13.8366 36.6343 -10.931 -37.0878 -6.01878 -8.66713 TIMING: 884600 CPU: 2656.3, 0.00300776/step Wall: 2656.3, 0.00300776/step, 3.43837 hours remaining, 207.195312 MB of memory in use. ENERGY: 884600 722.9000 2069.9583 1902.4773 117.9825 -205661.5338 17426.0063 0.0000 0.0000 34083.0151 -149339.1944 297.6554 -183422.2094 -149251.7262 299.0493 -287.2679 -251.6683 558489.6982 -11.5553 -11.4103 PRESSURE: 884800 -137.037 84.3402 149.546 84.3398 77.6184 -36.627 149.546 -36.6278 -16.314 GPRESSURE: 884800 -74.041 124.837 125.709 15.8446 96.8687 33.5548 123.12 -79.1431 -2.60742 PRESSAVG: 884800 -8.89076 14.5987 7.33712 14.5986 12.2842 -33.3006 7.33706 -33.3006 -29.4974 GPRESSAVG: 884800 -7.70205 13.6304 5.36239 15.2667 11.3274 -30.8383 7.8616 -34.6393 -29.4818 TIMING: 884800 CPU: 2656.9, 0.00300203/step Wall: 2656.9, 0.00300203/step, 3.43166 hours remaining, 207.195312 MB of memory in use. ENERGY: 884800 730.5022 2093.0031 1941.0938 111.7057 -206313.4501 17793.2996 0.0000 0.0000 34214.1199 -149429.7257 298.8004 -183643.8456 -149328.3382 299.0329 -25.2441 6.7401 558061.9706 -8.7013 -8.6188 PRESSURE: 885000 -78.676 103.052 -37.273 103.051 -197.838 -199.527 -37.2743 -199.527 -199.822 GPRESSURE: 885000 -95.9754 61.4167 -28.4008 182.051 -114.286 -220.816 -19.9613 -121.073 -164.807 PRESSAVG: 885000 26.2557 -23.1504 -17.8572 -23.1505 69.4747 10.0745 -17.8572 10.0746 -13.2549 GPRESSAVG: 885000 25.7771 -22.2454 -15.4493 -24.1837 70.5161 9.15993 -20.0262 9.99266 -14.1059 TIMING: 885000 CPU: 2657.5, 0.00298035/step Wall: 2657.5, 0.00298035/step, 3.4067 hours remaining, 207.195312 MB of memory in use. ENERGY: 885000 774.2220 2095.4306 1934.9736 119.9792 -206007.6294 17603.6991 0.0000 0.0000 34011.1986 -149468.1262 297.0283 -183479.3249 -149371.4302 297.8056 -158.7784 -125.0227 559034.5585 27.4919 27.3957 PRESSURE: 885200 113.395 97.5615 103.296 97.5624 -124.305 -65.4549 103.295 -65.4532 -177.687 GPRESSURE: 885200 195.859 5.33018 123.169 139.606 -135.816 -0.282073 43.7697 -46.8313 -164.269 PRESSAVG: 885200 15.0836 12.6605 15.4334 12.6606 -66.4675 -31.315 15.4333 -31.3152 43.5263 GPRESSAVG: 885200 14.8867 11.4079 11.8485 13.1179 -67.1639 -31.6196 17.1102 -30.5419 44.1006 TIMING: 885200 CPU: 2658.1, 0.00299621/step Wall: 2658.1, 0.00299621/step, 3.42467 hours remaining, 207.195312 MB of memory in use. ENERGY: 885200 748.4245 2066.1090 1924.1966 120.2559 -206268.2787 17860.0135 0.0000 0.0000 34166.2359 -149383.0433 298.3822 -183549.2792 -149286.1049 298.2655 -62.8656 -34.7421 559408.2103 -2.6192 -2.7256 PRESSURE: 885400 -223.016 163.88 -115.866 163.879 -231.881 71.6113 -115.866 71.6101 -40.3284 GPRESSURE: 885400 -194.225 122.48 -110.349 119.563 -235.261 -66.6062 -33.1278 120.712 39.8089 PRESSAVG: 885400 -43.518 4.56495 -35.2447 4.56501 18.0001 23.4336 -35.2446 23.4336 29.3052 GPRESSAVG: 885400 -43.9077 5.78394 -34.9362 5.7615 18.2802 20.1327 -35.5979 23.1468 29.5547 TIMING: 885400 CPU: 2658.7, 0.00302673/step Wall: 2658.7, 0.00302673/step, 3.45938 hours remaining, 207.195312 MB of memory in use. ENERGY: 885400 740.5778 2137.4145 1946.2287 111.3960 -205941.9412 17549.8176 0.0000 0.0000 34200.9894 -149255.5171 298.6857 -183456.5064 -149160.6273 298.7700 -165.0751 -129.8924 560090.2345 1.2624 1.3091 PRESSURE: 885600 -93.4803 -89.7057 -50.9175 -89.707 -163.061 13.4039 -50.9172 13.4028 0.682477 GPRESSURE: 885600 -49.2039 -55.8268 7.9829 -131.819 -149.314 -20.7091 -105.196 46.827 48.3987 PRESSAVG: 885600 -37.1873 -45.5779 -15.4041 -45.5778 41.622 0.151661 -15.4041 0.151733 -12.5319 GPRESSAVG: 885600 -37.5196 -45.0472 -15.205 -46.4025 42.3079 1.88013 -16.8743 -0.568189 -12.8303 TIMING: 885600 CPU: 2659.31, 0.00301997/step Wall: 2659.31, 0.00301997/step, 3.45149 hours remaining, 207.453125 MB of memory in use. ENERGY: 885600 730.1101 2046.9028 1953.3537 115.0843 -205844.0346 17713.4521 0.0000 0.0000 34098.7373 -149186.3942 297.7928 -183285.1315 -149093.3439 298.1628 -85.2861 -50.0399 558995.2149 -2.6991 -2.6807 PRESSURE: 885800 154.466 -21.8208 31.286 -21.8204 155.09 65.7685 31.2866 65.7695 89.9721 GPRESSURE: 885800 190.724 -19.9622 63.9555 -92.5362 241.72 18.8124 6.17717 101.011 65.1674 PRESSAVG: 885800 -4.19885 -23.2131 -3.40578 -23.213 85.1431 -3.85789 -3.40586 -3.85782 -65.6351 GPRESSAVG: 885800 -3.99635 -21.8137 -2.06773 -24.1588 84.225 -3.86842 -3.89487 -3.6311 -64.8687 TIMING: 885800 CPU: 2659.91, 0.00300908/step Wall: 2659.91, 0.00300908/step, 3.43888 hours remaining, 207.453125 MB of memory in use. ENERGY: 885800 762.8092 2051.5695 1953.8826 107.5509 -206378.1358 18006.0068 0.0000 0.0000 34146.1619 -149350.1549 298.2069 -183496.3167 -149254.0558 298.4806 133.1764 165.8704 557390.3940 5.1031 5.1200 PRESSURE: 886000 281.666 -63.6816 -103.575 -63.6828 169.326 24.3635 -103.575 24.3624 -129.125 GPRESSURE: 886000 269.255 -44.7464 -39.5439 -84.8676 251.534 44.0869 -152.246 -27.0482 -83.2539 PRESSAVG: 886000 30.6881 -78.4549 38.4339 -78.4549 20.0173 8.73648 38.4339 8.73641 -67.0242 GPRESSAVG: 886000 29.6787 -81.7191 38.8654 -75.3564 20.5178 10.8726 40.2934 7.59644 -65.7806 TIMING: 886000 CPU: 2660.51, 0.00298644/step Wall: 2660.51, 0.00298644/step, 3.41284 hours remaining, 207.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 886000 778.0704 2052.3718 1924.8281 100.8108 -206503.5554 17984.7503 0.0000 0.0000 34191.4136 -149471.3105 298.6021 -183662.7241 -149374.1324 298.3706 107.2888 145.8449 557613.9314 -5.4396 -5.1947 PRESSURE: 886200 -280.759 -60.8411 209.36 -60.8415 -188.332 93.5649 209.361 93.5643 -26.5953 GPRESSURE: 886200 -232.911 -81.908 164.543 -51.7966 -138.861 46.3174 198.752 67.9156 -33.7877 PRESSAVG: 886200 -16.6919 13.3531 25.151 13.3531 17.0281 6.1726 25.151 6.17263 17.37 GPRESSAVG: 886200 -14.6685 15.2692 24.2799 9.92333 15.915 3.23617 22.5456 6.6499 15.7755 TIMING: 886200 CPU: 2661.1, 0.00296128/step Wall: 2661.1, 0.00296128/step, 3.38392 hours remaining, 207.453125 MB of memory in use. ENERGY: 886200 745.5960 2095.2280 1948.2698 104.2004 -205881.9769 17358.4228 0.0000 0.0000 34072.7756 -149557.4842 297.5660 -183630.2599 -149455.2403 298.3164 -165.2288 -135.1867 556765.0881 5.9021 5.6740 PRESSURE: 886400 79.8513 43.3408 -11.4082 43.3399 228.575 46.5795 -11.4085 46.5792 -180.245 GPRESSURE: 886400 48.3944 -12.8969 -44.8716 82.0815 250.037 140.675 -8.9693 18.583 -82.6683 PRESSAVG: 886400 35.7841 23.0887 89.2801 23.0886 -19.6262 -3.52322 89.2802 -3.52326 -16 GPRESSAVG: 886400 33.8508 20.3539 89.7948 25.3606 -19.5203 -2.87746 91.5067 -2.97101 -14.0579 TIMING: 886400 CPU: 2661.7, 0.00299305/step Wall: 2661.7, 0.00299305/step, 3.42006 hours remaining, 207.453125 MB of memory in use. ENERGY: 886400 719.8947 2088.9161 1908.1797 107.4117 -206307.3144 17915.8344 0.0000 0.0000 34169.7612 -149397.3165 298.4130 -183567.0776 -149309.8409 298.3015 42.7269 71.9210 557297.8992 0.0526 0.0909 PRESSURE: 886600 -130.854 38.6086 -156.993 38.6091 9.56057 -139.998 -156.993 -139.999 253.585 GPRESSURE: 886600 -132.718 -89.1788 -130.062 115.886 106.323 -34.287 -201.686 -154.257 247.559 PRESSAVG: 886600 -14.0944 32.7541 -53.2514 32.754 -5.77523 66.9232 -53.2515 66.9233 -12.2354 GPRESSAVG: 886600 -13.2941 33.742 -53.8072 31.8039 -4.16726 66.4 -52.7352 67.7625 -14.4818 TIMING: 886600 CPU: 2662.29, 0.00297313/step Wall: 2662.29, 0.00297313/step, 3.39713 hours remaining, 207.453125 MB of memory in use. ENERGY: 886600 716.1131 2079.6033 1939.5804 116.0148 -206258.2338 17848.3550 0.0000 0.0000 34243.7144 -149314.8528 299.0589 -183558.5672 -149221.6059 298.8188 44.0969 73.7216 558789.0500 -10.7017 -10.6477 PRESSURE: 886800 174.007 15.7725 15.7761 15.7721 83.9322 67.5733 15.7739 67.5727 105.153 GPRESSURE: 886800 194.973 62.2364 40.9769 25.6294 139.894 99.6578 11.132 51.3639 115.134 PRESSAVG: 886800 25.5278 -0.201955 -3.05346 -0.201947 -18.6445 -22.8339 -3.05353 -22.8339 -3.72857 GPRESSAVG: 886800 25.59 0.679937 -2.29071 -1.0715 -19.6594 -21.7918 -2.2919 -23.405 -3.21653 TIMING: 886800 CPU: 2662.89, 0.00298263/step Wall: 2662.89, 0.00298263/step, 3.40782 hours remaining, 207.453125 MB of memory in use. ENERGY: 886800 742.9026 2042.7056 1913.0664 116.3338 -206455.2685 18046.8690 0.0000 0.0000 34249.5248 -149343.8664 299.1096 -183593.3911 -149240.8734 298.0450 121.0310 150.0002 558158.3702 1.0516 0.9047 PRESSURE: 887000 -66.8344 39.9737 25.8174 39.9735 -276.694 -121.79 25.8168 -121.79 -103.935 GPRESSURE: 887000 -36.1278 54.9329 -51.1589 -5.21789 -260.935 -73.789 -33.6325 -86.4037 -45.8936 PRESSAVG: 887000 21.5499 -5.556 21.8013 -5.55607 -34.6261 11.9478 21.8013 11.9476 -19.318 GPRESSAVG: 887000 21.3377 -5.93767 21.7188 -4.78843 -34.5685 12.4413 19.1992 13.2256 -18.6908 TIMING: 887000 CPU: 2663.49, 0.00300474/step Wall: 2663.49, 0.00300474/step, 3.43292 hours remaining, 207.453125 MB of memory in use. ENERGY: 887000 744.4091 2067.0563 1903.0548 101.5435 -206086.6299 17588.3978 0.0000 0.0000 34364.9526 -149317.2158 300.1177 -183682.1684 -149222.3236 298.9701 -149.1542 -114.3189 559371.5700 -10.7981 -10.6405 PRESSURE: 887200 440.817 26.8922 208.335 26.8921 323.34 20.6977 208.336 20.6977 177.568 GPRESSURE: 887200 477.024 2.75797 205.964 -6.87676 375.58 -3.45057 172.334 -24.1055 183.465 PRESSAVG: 887200 42.7219 -12.8622 -19.6783 -12.8622 -31.0264 -6.10267 -19.6783 -6.10277 30.1225 GPRESSAVG: 887200 42.4802 -13.5278 -20.3779 -13.9347 -30.7349 -7.83254 -18.419 -7.64603 29.8282 TIMING: 887200 CPU: 2664.09, 0.00300643/step Wall: 2664.09, 0.00300643/step, 3.43468 hours remaining, 207.453125 MB of memory in use. ENERGY: 887200 714.2408 2064.7203 1918.5893 117.0637 -206558.6756 18233.4606 0.0000 0.0000 34072.2891 -149438.3118 297.5618 -183510.6009 -149339.3153 298.8461 313.9083 345.3563 556970.7882 13.9393 13.8579 PRESSURE: 887400 -184.632 -112.347 93.9631 -112.346 -9.83226 -57.8782 93.9638 -57.8791 -310.793 GPRESSURE: 887400 -164.504 -49.09 173.338 -149.14 15.737 -35.5511 56.0553 -15.0752 -249.449 PRESSAVG: 887400 41.0036 -9.36662 -10.9317 -9.36669 12.3439 -28.8489 -10.9318 -28.8488 -26.6363 GPRESSAVG: 887400 41.9241 -7.94762 -8.02064 -10.0712 12.4508 -27.7119 -11.02 -29.1495 -26.6972 TIMING: 887400 CPU: 2664.69, 0.00298196/step Wall: 2664.69, 0.00298196/step, 3.40656 hours remaining, 207.453125 MB of memory in use. ENERGY: 887400 742.5586 2117.8406 1915.4827 104.0921 -206002.3236 17665.1726 0.0000 0.0000 33940.2316 -149516.9454 296.4085 -183457.1770 -149423.2795 297.8565 -168.4190 -132.7387 558447.0060 8.9037 9.2259 PRESSURE: 887600 208.169 -0.546028 -80.6708 -0.54431 -47.564 101.401 -80.671 101.401 -96.4591 GPRESSURE: 887600 215.346 -33.526 -164.503 -36.4936 0.179439 129.224 -0.567304 82.1273 -64.823 PRESSAVG: 887600 37.99 22.5659 28.8684 22.5659 -21.103 23.0218 28.8684 23.0218 -63.5354 GPRESSAVG: 887600 37.4113 20.1367 27.1725 23.0022 -19.6049 22.1275 31.0282 22.1907 -64.2444 TIMING: 887600 CPU: 2665.28, 0.00295479/step Wall: 2665.28, 0.00295479/step, 3.37536 hours remaining, 207.453125 MB of memory in use. ENERGY: 887600 739.3678 2053.9317 1924.7295 96.0784 -206588.0322 17993.9945 0.0000 0.0000 34238.2713 -149541.6591 299.0113 -183779.9304 -149444.4558 298.2223 21.3821 50.2343 557846.5868 -15.5494 -15.4793 PRESSURE: 887800 97.0028 -142.379 -7.10726 -142.378 -144.436 -17.8788 -7.10639 -17.8783 263.163 GPRESSURE: 887800 113.695 -88.6549 -34.2911 -81.4785 -113.336 -24.6996 -11.8092 77.4607 304.149 PRESSAVG: 887800 -4.74994 39.9861 -30.3584 39.986 -22.1111 -18.7881 -30.3585 -18.7881 -0.713937 GPRESSAVG: 887800 -5.43298 42.3123 -29.3383 41.4475 -22.7657 -19.6871 -32.5946 -16.1939 0.68371 TIMING: 887800 CPU: 2665.87, 0.00294447/step Wall: 2665.87, 0.00294447/step, 3.36341 hours remaining, 207.453125 MB of memory in use. ENERGY: 887800 726.0370 2104.3379 1906.7685 117.7237 -206316.9846 18007.2235 0.0000 0.0000 34048.7438 -149406.1503 297.3561 -183454.8940 -149316.9371 298.0079 71.9099 101.5025 558002.3462 -9.1917 -9.1716 PRESSURE: 888000 13.2231 63.6889 -78.6084 63.689 20.3629 9.75496 -78.6078 9.75569 53.9526 GPRESSURE: 888000 13.852 65.6753 -54.4504 78.626 23.1083 50.7773 -82.5669 -75.0125 122.433 PRESSAVG: 888000 -36.6314 18.832 1.70593 18.8319 27.9386 44.0092 1.70595 44.0092 24.4544 GPRESSAVG: 888000 -35.162 18.2722 1.58166 17.5074 28.3819 45.9477 1.18935 40.6317 23.0066 TIMING: 888000 CPU: 2666.46, 0.0029742/step Wall: 2666.46, 0.0029742/step, 3.3972 hours remaining, 207.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 888000 722.5499 2108.2470 1897.3233 94.1342 -206230.5652 18014.5990 0.0000 0.0000 34076.9082 -149316.8037 297.6021 -183393.7119 -149219.3245 298.1368 29.1795 53.1309 558899.8517 5.2539 5.4088 PRESSURE: 888200 -202.252 96.1735 42.0746 96.1731 -221.413 66.8041 42.0752 66.8035 -354.222 GPRESSURE: 888200 -175.831 42.0169 30.3683 122.922 -168.258 55.8767 115.465 76.6833 -348.399 PRESSAVG: 888200 -10.6012 -32.4651 -14.4025 -32.4652 -26.105 27.7331 -14.4025 27.7332 41.942 GPRESSAVG: 888200 -11.7446 -34.539 -16.1621 -31.5947 -26.7869 27.6494 -13.2533 29.9384 44.0577 TIMING: 888200 CPU: 2667.06, 0.00297027/step Wall: 2667.06, 0.00297027/step, 3.39255 hours remaining, 207.453125 MB of memory in use. ENERGY: 888200 708.0523 2050.3032 1935.2361 109.5902 -205687.5156 17325.8141 0.0000 0.0000 34219.7510 -149338.7687 298.8496 -183558.5196 -149243.7225 298.7811 -259.2957 -230.8292 559438.9323 1.7453 1.8421 LDB: ============= START OF LOAD BALANCING ============== 2670.57 LDB: ============== END OF LOAD BALANCING =============== 2670.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2670.57 LDB: ============= START OF LOAD BALANCING ============== 2670.87 LDB: Largest compute 4794 load 0.028230 is 23.9% of average load 0.117888 LDB: Average compute 0.001737 is 1.5% of average load 0.117888 LDB: TIME 2670.88 LOAD: AVG 0.117888 MAX 0.204926 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.082 MB LDB: TIME 2670.88 LOAD: AVG 0.117888 MAX 0.204926 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.086 MB LDB: TIME 2670.88 LOAD: AVG 0.117888 MAX 0.204926 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.086 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2670.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2670.88 PRESSURE: 888400 112.561 -78.9419 49.3389 -78.9422 354.253 113.725 49.3386 113.727 63.6854 GPRESSURE: 888400 84.0087 -101.723 125.965 -70.5245 446.057 89.5343 -30.3505 118.092 96.8884 PRESSAVG: 888400 -6.48003 -15.2872 -34.4726 -15.2873 7.53701 19.1869 -34.4727 19.1871 0.53016 GPRESSAVG: 888400 -6.11894 -13.3423 -34.0012 -16.1674 6.60133 19.8284 -36.5227 19.2905 0.597503 TIMING: 888400 CPU: 2667.67, 0.00304414/step Wall: 2667.67, 0.00304414/step, 3.47674 hours remaining, 207.765625 MB of memory in use. ENERGY: 888400 718.5024 2144.9506 1928.4500 103.3223 -206546.2836 17990.6357 0.0000 0.0000 34144.7621 -149515.6606 298.1947 -183660.4227 -149417.0717 298.5080 176.8332 208.9847 556193.7006 0.5290 0.3600 PRESSURE: 888600 -228.327 -103.476 18.8242 -103.476 96.0959 1.86277 18.8257 1.86233 -137.391 GPRESSURE: 888600 -151.766 -103.589 22.7022 -40.8311 78.8052 -50.9748 33.0199 15.0027 -104.961 PRESSAVG: 888600 -46.6607 -2.45393 15.854 -2.4539 80.1814 48.8838 15.854 48.8836 -16.4679 GPRESSAVG: 888600 -46.0928 -2.83604 14.2093 -1.98128 80.8187 47.3184 18.4692 49.5741 -17.6753 TIMING: 888600 CPU: 2668.26, 0.0029823/step Wall: 2668.26, 0.0029823/step, 3.40595 hours remaining, 207.765625 MB of memory in use. ENERGY: 888600 742.8136 2081.1117 1921.4918 106.8907 -206218.2767 17847.1492 0.0000 0.0000 33998.8626 -149519.9570 296.9205 -183518.8196 -149426.4828 297.9329 -89.8738 -59.3073 556975.2977 5.6843 5.6835 PRESSURE: 888800 17.573 -1.25002 -116.623 -1.24885 33.5841 56.7386 -116.623 56.7399 -18.1033 GPRESSURE: 888800 54.7234 27.6699 -132.153 -78.49 37.0864 17.5672 -155.712 153.245 40.0936 PRESSAVG: 888800 -78.5161 -17.7133 -15.9057 -17.7133 20.4765 29.1278 -15.9057 29.1277 38.2931 GPRESSAVG: 888800 -78.4543 -18.2491 -15.3017 -17.6478 19.4506 29.6227 -14.9494 28.5431 39.8965 TIMING: 888800 CPU: 2668.86, 0.00300085/step Wall: 2668.86, 0.00300085/step, 3.42698 hours remaining, 207.765625 MB of memory in use. ENERGY: 888800 730.4520 2065.0462 1914.8700 127.2347 -206603.8198 17991.0453 0.0000 0.0000 34342.8688 -149432.3027 299.9248 -183775.1716 -149340.0958 298.0165 11.0179 43.9678 557357.6725 -6.5822 -6.3691 PRESSURE: 889000 94.9332 12.6763 -59.9199 12.6771 -37.8553 -111.295 -59.9202 -111.295 -113.91 GPRESSURE: 889000 144.48 57.538 -144.532 -31.2384 -63.9096 -127.318 -115.52 -24.8827 -42.5278 PRESSAVG: 889000 -22.0788 13.4505 -2.64754 13.4505 23.312 39.6143 -2.64748 39.6143 -1.33094 GPRESSAVG: 889000 -23.1839 14.883 -2.931 13.7021 23.6839 40.3002 -3.55889 38.6731 -0.654961 TIMING: 889000 CPU: 2669.46, 0.0029985/step Wall: 2669.46, 0.0029985/step, 3.42412 hours remaining, 207.765625 MB of memory in use. ENERGY: 889000 746.3195 2107.7217 1930.1943 100.4864 -206130.8638 17872.7327 0.0000 0.0000 34081.4798 -149291.9295 297.6420 -183373.4093 -149198.4860 298.0029 -18.9442 12.6809 557077.1435 -0.0326 -0.0517 PRESSURE: 889200 -242.04 79.2968 18.8696 79.2974 36.1303 81.6901 18.869 81.6901 -5.36203 GPRESSURE: 889200 -212.393 183.97 -34.0362 6.9892 78.1303 72.9975 16.052 58.8135 15.0942 PRESSAVG: 889200 -30.1738 -60.0449 14.3249 -60.0449 54.7396 18.4298 14.3249 18.4299 -31.5074 GPRESSAVG: 889200 -30.1585 -60.3054 14.1499 -60.8589 55.1831 19.0527 13.4398 19.3439 -31.5276 TIMING: 889200 CPU: 2670.06, 0.00299883/step Wall: 2670.06, 0.00299883/step, 3.42433 hours remaining, 207.765625 MB of memory in use. ENERGY: 889200 730.8517 2067.0017 1955.8084 120.7090 -205943.9998 17591.7396 0.0000 0.0000 34346.9169 -149130.9727 299.9602 -183477.8895 -149032.9200 299.0473 -70.4238 -39.7229 557656.6024 -2.3139 -2.1677 PRESSURE: 889400 -133.393 -98.0082 134.836 -98.0077 215.85 -98.066 134.835 -98.0646 123.811 GPRESSURE: 889400 -66.0532 -136.864 121.919 -14.6174 258.662 -127.289 119.548 -16.7734 96.6303 PRESSAVG: 889400 -84.3447 -37.8093 9.75467 -37.8093 44.4397 25.0046 9.75471 25.0046 -6.94021 GPRESSAVG: 889400 -83.315 -39.7783 9.61086 -36.8324 44.391 23.1899 10.9076 24.2517 -8.27366 TIMING: 889400 CPU: 2670.66, 0.0030098/step Wall: 2670.66, 0.0030098/step, 3.43669 hours remaining, 207.765625 MB of memory in use. ENERGY: 889400 722.2297 2056.0236 1911.5525 102.1055 -205861.9107 17709.0510 0.0000 0.0000 34243.1648 -149117.7837 299.0541 -183360.9484 -149018.7995 299.7770 68.7556 96.4131 557758.4232 -15.6151 -15.7325 PRESSURE: 889600 74.5585 203.563 1.1733 203.564 -119.908 17.3388 1.17261 17.3389 -100.099 GPRESSURE: 889600 67.1923 134.382 16.3761 191.637 -127.867 -96.8499 -57.2129 38.0239 8.12061 PRESSAVG: 889600 -25.8903 22.4007 -27.2223 22.4007 -4.10887 33.8211 -27.2224 33.8212 39.4429 GPRESSAVG: 889600 -26.6389 22.673 -23.9518 22.2721 -3.58419 36.1629 -29.1034 33.5041 39.8152 TIMING: 889600 CPU: 2671.27, 0.0030172/step Wall: 2671.27, 0.0030172/step, 3.44497 hours remaining, 207.765625 MB of memory in use. ENERGY: 889600 753.3216 2092.5546 1903.1135 111.3891 -205852.3772 17681.5659 0.0000 0.0000 34204.4280 -149106.0045 298.7158 -183310.4325 -149018.6016 299.2146 -48.4826 -17.5179 557496.0795 3.1479 3.1974 PRESSURE: 889800 31.1184 251.226 -44.2935 251.225 7.10655 -45.6696 -44.2932 -45.6712 -109.906 GPRESSURE: 889800 69.5793 237.555 -93.6517 259.72 54.6621 -69.1696 -38.9467 -66.944 -89.987 PRESSAVG: 889800 -41.6183 98.2018 -9.08181 98.2018 -37.2508 -27.1403 -9.08183 -27.1404 52.8982 GPRESSAVG: 889800 -41.7413 96.985 -11.1543 97.2757 -37.1548 -27.9046 -8.25591 -26.2748 52.8668 TIMING: 889800 CPU: 2671.86, 0.00298213/step Wall: 2671.86, 0.00298213/step, 3.40477 hours remaining, 207.765625 MB of memory in use. ENERGY: 889800 756.0721 2063.6148 1915.6344 116.9335 -206247.7495 17932.3613 0.0000 0.0000 34270.8496 -149192.2837 299.2959 -183463.1333 -149094.9451 299.6012 -23.8937 11.4181 556798.8147 -8.6569 -8.6764 PRESSURE: 890000 -88.3113 -0.421331 79.0601 -0.422262 22.4266 106.394 79.0581 106.394 -51.3042 GPRESSURE: 890000 -45.2455 45.5981 65.3938 -103.676 -13.4218 91.7186 50.4555 20.0701 38.5908 PRESSAVG: 890000 -3.46805 21.4314 -11.9844 21.4314 56.4364 54.2414 -11.9844 54.2415 -24.0716 GPRESSAVG: 890000 -3.73358 21.0085 -11.8485 23.4677 55.9728 53.9007 -11.3748 54.6119 -23.2192 TIMING: 890000 CPU: 2672.46, 0.00299648/step Wall: 2672.46, 0.00299648/step, 3.42098 hours remaining, 207.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 890000 730.6521 2064.7476 1908.5964 109.7072 -205985.7206 17735.7179 0.0000 0.0000 34224.9873 -149211.3121 298.8953 -183436.2993 -149121.8105 299.1809 -39.0629 -6.6922 556819.6727 9.6322 9.6733 PRESSURE: 890200 137.235 -66.7724 111.666 -66.7715 -138.12 -210.747 111.666 -210.745 182.577 GPRESSURE: 890200 118.907 -53.5283 47.7587 -22.0337 -43.3038 -123.81 149.925 -251.836 197.814 PRESSAVG: 890200 -25.7564 27.0279 -4.80726 27.0279 -27.3956 45.8349 -4.80722 45.8348 89.3247 GPRESSAVG: 890200 -25.9501 28.8546 -5.60145 26.0544 -27.8472 45.6068 -5.1551 44.5014 90.1612 TIMING: 890200 CPU: 2673.06, 0.00298469/step Wall: 2673.06, 0.00298469/step, 3.40736 hours remaining, 207.765625 MB of memory in use. ENERGY: 890200 720.1669 2164.0930 1914.4820 117.1854 -206379.7000 17844.4514 0.0000 0.0000 34324.7298 -149294.5915 299.7664 -183619.3213 -149202.0333 298.5523 60.5640 91.1389 556952.3842 12.0575 12.1213 PRESSURE: 890400 167.44 -94.9041 244.361 -94.9035 -97.6505 26.0974 244.361 26.098 -5.89964 GPRESSURE: 890400 224.496 -57.8816 271.466 -104.526 -40.9238 58.3462 194.649 -66.7351 -31.9659 PRESSAVG: 890400 -22.8676 47.9037 13.6197 47.9036 -47.5929 9.61826 13.6197 9.61814 60.7993 GPRESSAVG: 890400 -22.2296 48.0594 12.4444 47.2647 -46.6154 10.2199 13.3645 9.40423 59.0664 TIMING: 890400 CPU: 2673.66, 0.00298289/step Wall: 2673.66, 0.00298289/step, 3.40513 hours remaining, 207.765625 MB of memory in use. ENERGY: 890400 732.2563 2067.6443 1935.0909 112.1822 -206087.0622 17795.2058 0.0000 0.0000 34201.8263 -149242.8564 298.6931 -183444.6827 -149152.7842 298.8901 21.2965 50.5354 557194.5223 -3.2204 -3.2595 PRESSURE: 890600 63.3974 126.712 180.963 126.712 -9.18222 -6.85009 180.963 -6.84954 -12.1026 GPRESSURE: 890600 119.631 130.153 188.504 95.8495 18.9339 -10.0948 144.111 -50.3596 9.89987 PRESSAVG: 890600 -8.94369 19.5545 3.96519 19.5545 29.8802 9.23543 3.96524 9.23542 15.9733 GPRESSAVG: 890600 -9.15036 18.0681 4.6623 19.7677 29.9031 10.437 4.16228 9.50132 16.176 TIMING: 890600 CPU: 2674.25, 0.00297611/step Wall: 2674.25, 0.00297611/step, 3.39723 hours remaining, 207.765625 MB of memory in use. ENERGY: 890600 737.1240 2060.5783 1893.5332 118.1017 -206020.5838 17728.6662 0.0000 0.0000 34215.1282 -149267.4522 298.8092 -183482.5804 -149171.9467 299.3741 14.0375 49.4884 557923.8914 12.3033 12.3096 PRESSURE: 890800 -327.323 159.838 -10.2206 159.839 -185.298 -95.8569 -10.2193 -95.8589 9.36124 GPRESSURE: 890800 -294.767 143.84 -24.1645 49.1405 -161.844 -126.647 20.44 -76.6463 51.1996 PRESSAVG: 890800 -114.6 -31.3987 21.6273 -31.3987 0.846378 -25.0978 21.6274 -25.0979 65.1523 GPRESSAVG: 890800 -114.646 -27.9407 23.7747 -32.1623 -0.0350954 -26.2701 19.4217 -25.7715 66.5744 TIMING: 890800 CPU: 2674.85, 0.00298098/step Wall: 2674.85, 0.00298098/step, 3.40262 hours remaining, 207.765625 MB of memory in use. ENERGY: 890800 754.6002 2038.2598 1942.3095 131.8657 -206020.9264 17747.3655 0.0000 0.0000 34141.0544 -149265.4713 298.1623 -183406.5257 -149169.4097 298.9318 -167.7533 -135.1372 558510.5830 -16.2004 -16.0356 PRESSURE: 891000 -296.3 5.5457 -158.632 5.54583 105.496 181.05 -158.631 181.05 -26.8033 GPRESSURE: 891000 -268.733 -4.27025 -184.05 -8.30859 140.764 201.751 -173.203 169.277 10.2737 PRESSAVG: 891000 -36.8655 -24.5616 -51.735 -24.5616 21.5195 23.9496 -51.7349 23.9495 52.0626 GPRESSAVG: 891000 -37.8124 -28.4678 -52.9295 -23.0937 21.1759 23.6336 -51.2665 25.2865 53.3856 TIMING: 891000 CPU: 2675.45, 0.00298508/step Wall: 2675.45, 0.00298508/step, 3.40714 hours remaining, 207.765625 MB of memory in use. ENERGY: 891000 723.6189 2042.3572 1945.7153 111.1267 -206707.2622 18061.8547 0.0000 0.0000 34416.8187 -149405.7707 300.5706 -183822.5894 -149309.8547 299.2627 -72.5360 -39.2316 557709.4659 12.2389 12.2497 PRESSURE: 891200 67.348 -80.3866 -93.2494 -80.3864 23.1636 22.7588 -93.2509 22.7585 17.8709 GPRESSURE: 891200 80.5533 -66.3386 -171.861 -160.864 53.3777 109.739 -40.2766 23.2251 75.7363 PRESSAVG: 891200 -32.6483 -55.2244 -71.2505 -55.2245 51.4923 10.0438 -71.2506 10.0438 -17.0261 GPRESSAVG: 891200 -32.3481 -53.6997 -69.9528 -55.7864 51.7727 10.4419 -69.747 10.161 -17.7834 TIMING: 891200 CPU: 2676.04, 0.00299111/step Wall: 2676.04, 0.00299111/step, 3.41386 hours remaining, 207.765625 MB of memory in use. ENERGY: 891200 772.0939 2094.7681 1961.2190 106.9173 -206071.3309 17762.0112 0.0000 0.0000 34070.8681 -149303.4533 297.5494 -183374.3215 -149216.9487 299.4245 36.1275 69.8891 556313.4700 0.6060 0.5471 PRESSURE: 891400 -233.353 -270.711 7.16526 -270.712 -217.116 -56.1923 7.16351 -56.1959 -186.423 GPRESSURE: 891400 -197.836 -264.516 51.9263 -303.022 -218.77 3.27182 -102.644 -11.6864 -110.342 PRESSAVG: 891400 -25.1944 -77.2495 -13.7838 -77.2494 6.68143 8.14068 -13.7838 8.14049 25.5272 GPRESSAVG: 891400 -25.3149 -76.1477 -13.1302 -76.6567 7.18875 8.63204 -15.6688 6.03286 25.7482 TIMING: 891400 CPU: 2676.64, 0.00299465/step Wall: 2676.64, 0.00299465/step, 3.41772 hours remaining, 207.765625 MB of memory in use. ENERGY: 891400 749.0538 2048.4788 1962.4674 117.0385 -206221.8607 17553.2481 0.0000 0.0000 34337.8607 -149453.7134 299.8811 -183791.5742 -149358.5463 298.3723 -212.2973 -175.6491 557555.4824 2.3381 2.5407 PRESSURE: 891600 10.8985 -146.077 -38.9685 -146.077 310.166 49.8498 -38.9682 49.8486 -8.06509 GPRESSURE: 891600 51.3177 -101.487 -41.6688 -251.268 317.152 20.8601 5.56327 13.5071 37.4799 PRESSAVG: 891600 35.2024 0.173224 22.8317 0.173194 36.709 32.1023 22.8317 32.1023 -74.8611 GPRESSAVG: 891600 35.9895 -0.312493 22.6028 -0.990439 35.7347 30.8551 22.5394 33.9393 -74.7452 TIMING: 891600 CPU: 2677.24, 0.00300714/step Wall: 2677.24, 0.00300714/step, 3.43181 hours remaining, 207.765625 MB of memory in use. ENERGY: 891600 759.3507 2114.8186 1957.1901 114.9102 -206758.6852 18187.3691 0.0000 0.0000 34104.0823 -149520.9641 297.8394 -183625.0465 -149432.1797 299.0363 104.3333 135.3165 557595.7997 -0.9832 -1.0070 PRESSURE: 891800 83.1927 -195.949 -32.2354 -195.95 104.252 -41.3512 -32.2348 -41.3509 209.345 GPRESSURE: 891800 91.4703 -222.681 21.1302 -186.96 85.8625 -13.4173 -69.808 -88.0006 306.598 PRESSAVG: 891800 4.26472 -24.2439 22.4505 -24.2439 25.6287 41.9405 22.4505 41.9405 -4.32163 GPRESSAVG: 891800 5.21831 -24.9209 19.8785 -23.1003 25.3836 42.9862 22.5909 42.4774 -5.12729 TIMING: 891800 CPU: 2677.85, 0.00301461/step Wall: 2677.85, 0.00301461/step, 3.44017 hours remaining, 207.765625 MB of memory in use. ENERGY: 891800 736.7104 2063.6578 1907.3298 119.8099 -206449.2499 17988.8626 0.0000 0.0000 34215.1082 -149417.7712 298.8090 -183632.8794 -149317.8175 298.9362 132.2635 161.3103 556831.3290 8.5239 8.4915 PRESSURE: 892000 119.021 -77.4691 212.04 -77.4695 32.3303 -75.023 212.04 -75.0238 115.417 GPRESSURE: 892000 194.279 -72.4939 180.504 -49.605 10.2527 -21.6718 192.917 -99.6483 158.13 PRESSAVG: 892000 -14.2259 -51.2657 30.7678 -51.2656 38.6517 -57.9578 30.7677 -57.958 -4.05093 GPRESSAVG: 892000 -13.3146 -50.3484 31.1812 -52.3219 38.2028 -56.6082 31.5411 -57.3371 -4.36495 TIMING: 892000 CPU: 2678.45, 0.00300234/step Wall: 2678.45, 0.00300234/step, 3.426 hours remaining, 207.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 892000 762.0733 2070.5159 1930.2507 118.4992 -205994.0839 17827.1128 0.0000 0.0000 34102.0155 -149183.6164 297.8214 -183285.6319 -149086.4622 299.7091 88.9227 120.8871 557242.2225 6.7916 6.8411 PRESSURE: 892200 124.378 12.2616 13.6913 12.2608 221.385 225.297 13.6922 225.296 81.0298 GPRESSURE: 892200 219.61 -31.6208 -39.1568 -50.5013 260.164 238.105 10.5786 235.869 56.2749 PRESSAVG: 892200 30.0211 -22.5693 24.2186 -22.5694 -0.807878 67.9959 24.2186 67.9959 -41.1116 GPRESSAVG: 892200 29.5578 -22.4498 25.707 -23.2645 -0.222578 66.4236 24.151 66.1908 -40.595 TIMING: 892200 CPU: 2679.05, 0.00300184/step Wall: 2679.05, 0.00300184/step, 3.42526 hours remaining, 207.765625 MB of memory in use. ENERGY: 892200 721.1023 2062.8925 1926.3702 112.3228 -206295.6617 17833.2717 0.0000 0.0000 34168.3678 -149471.3345 298.4009 -183639.7023 -149370.9734 299.1966 142.2643 178.6828 556048.0836 -3.9661 -3.7533 LDB: ============= START OF LOAD BALANCING ============== 2682.56 LDB: ============== END OF LOAD BALANCING =============== 2682.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2682.57 LDB: ============= START OF LOAD BALANCING ============== 2682.87 LDB: Largest compute 4800 load 0.027623 is 23.4% of average load 0.117878 LDB: Average compute 0.001733 is 1.5% of average load 0.117878 LDB: TIME 2682.87 LOAD: AVG 0.117878 MAX 0.203509 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.188 MB LDB: TIME 2682.87 LOAD: AVG 0.117878 MAX 0.203509 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.395 MB LDB: TIME 2682.87 LOAD: AVG 0.117878 MAX 0.203509 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.395 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2682.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2682.87 PRESSURE: 892400 -68.5836 -101.399 183.489 -101.399 95.9536 -56.4707 183.488 -56.4725 88.1259 GPRESSURE: 892400 -24.5241 -10.9076 169.543 -94.5524 136.782 -47.3757 112.445 -58.5392 102.832 PRESSAVG: 892400 54.5708 12.096 32.5666 12.0959 66.1842 22.4955 32.5667 22.4956 -101.87 GPRESSAVG: 892400 53.3901 11.5491 31.206 13.5175 67.0408 21.2389 33.9791 24.6615 -101.459 TIMING: 892400 CPU: 2679.66, 0.00305283/step Wall: 2679.66, 0.00305283/step, 3.48328 hours remaining, 208.011719 MB of memory in use. ENERGY: 892400 733.7813 2083.1268 1917.0421 116.1005 -206470.8607 17781.4488 0.0000 0.0000 34290.5390 -149548.8222 299.4678 -183839.3612 -149456.0868 298.2493 38.4986 71.6965 556870.1842 6.2951 6.3239 PRESSURE: 892600 -35.8982 -132.547 -96.3238 -132.547 -199.564 -1.3323 -96.3243 -1.3326 -1.40822 GPRESSURE: 892600 -31.0746 -147.944 -137.06 -178.103 -147.484 118.22 -89.282 -28.6439 20.9953 PRESSAVG: 892600 -16.9639 45.6468 -19.6094 45.6466 3.67582 45.6932 -19.6094 45.6932 52.0149 GPRESSAVG: 892600 -16.0012 45.3607 -19.8414 45.871 3.50601 47.8332 -21.5783 43.0771 51.1485 TIMING: 892600 CPU: 2680.25, 0.00297927/step Wall: 2680.25, 0.00297927/step, 3.39919 hours remaining, 208.214844 MB of memory in use. ENERGY: 892600 739.0083 2030.7365 1891.4372 112.9974 -205861.4379 17536.2548 0.0000 0.0000 34102.5385 -149448.4653 297.8260 -183551.0038 -149343.4254 298.3841 -78.9569 -52.5209 556006.9643 12.9089 12.8844 PRESSURE: 892800 -430.431 -57.3357 -42.1259 -57.3368 -76.3428 19.2554 -42.1255 19.2542 -157.308 GPRESSURE: 892800 -387.346 -164.269 -49.213 -10.2515 -77.9116 81.877 -111.277 28.7709 -94.0241 PRESSAVG: 892800 108.144 9.87364 -0.772207 9.87357 -34.0213 53.5227 -0.772188 53.5228 -51.47 GPRESSAVG: 892800 109.285 7.82273 -1.54337 10.845 -35.1962 51.0542 -0.779003 55.4709 -51.6325 TIMING: 892800 CPU: 2680.85, 0.00298983/step Wall: 2680.85, 0.00298983/step, 3.41106 hours remaining, 208.214844 MB of memory in use. ENERGY: 892800 778.5820 2084.5991 1886.7469 114.6219 -205922.5113 17625.8613 0.0000 0.0000 34094.7528 -149337.3473 297.7580 -183432.1001 -149249.5015 298.7388 -221.3607 -186.4271 557433.5347 7.5507 7.4853 PRESSURE: 893000 19.6117 -15.2005 -43.1062 -15.1996 -112.51 -186.475 -43.1074 -186.475 -17.898 GPRESSURE: 893000 94.9239 10.727 -31.222 -47.4878 -107.264 -211.641 -76.4259 -254.272 1.34596 PRESSAVG: 893000 10.9852 14.0516 63.7551 14.0517 -0.370679 -4.8633 63.7552 -4.86323 -41.587 GPRESSAVG: 893000 11.069 17.2426 63.9268 10.1303 0.684062 -3.43307 64.0225 -5.87983 -43.0149 TIMING: 893000 CPU: 2681.45, 0.0029841/step Wall: 2681.45, 0.0029841/step, 3.40436 hours remaining, 208.214844 MB of memory in use. ENERGY: 893000 718.4989 2002.8902 1912.0904 107.1655 -206231.2268 17791.7713 0.0000 0.0000 34254.8228 -149443.9878 299.1559 -183698.8105 -149341.5437 298.3836 -36.9319 -3.6646 557433.3428 -10.3242 -10.4206 PRESSURE: 893200 -35.9568 -167.144 -47.008 -167.144 -107.315 205.722 -47.0082 205.722 61.2708 GPRESSURE: 893200 68.9864 -171.017 -39.1212 -233.073 -117.905 243.972 -13.7789 109.854 65.3532 PRESSAVG: 893200 -24.5941 -6.71692 -21.3292 -6.71689 -14.1129 32.7265 -21.3292 32.7265 -11.505 GPRESSAVG: 893200 -25.2782 -7.50165 -19.273 -6.23834 -14.5518 31.2007 -22.4633 32.3957 -10.4618 TIMING: 893200 CPU: 2682.04, 0.00296585/step Wall: 2682.04, 0.00296585/step, 3.38337 hours remaining, 208.214844 MB of memory in use. ENERGY: 893200 748.1642 2032.4605 1909.9745 103.9262 -206215.9006 17698.1742 0.0000 0.0000 34192.5846 -149530.6164 298.6123 -183723.2010 -149434.4642 297.7314 -27.3336 5.4783 556367.4619 -16.7373 -16.7639 PRESSURE: 893400 -53.4122 -24.0607 40.3231 -24.0615 -29.1414 34.3019 40.324 34.3031 122.97 GPRESSURE: 893400 -45.6346 -50.7839 -17.9226 -25.4848 -8.18742 -23.7547 84.4203 95.7267 181.931 PRESSAVG: 893400 28.3382 -1.50869 26.9751 -1.50871 28.8564 3.38016 26.975 3.38019 -4.53913 GPRESSAVG: 893400 26.9497 -2.58727 27.0918 1.28809 28.7327 2.63352 26.3392 5.14898 -3.29034 TIMING: 893400 CPU: 2682.64, 0.00299032/step Wall: 2682.64, 0.00299032/step, 3.41113 hours remaining, 208.214844 MB of memory in use. ENERGY: 893400 756.2208 2069.8256 1896.9261 110.9290 -206434.0112 18013.5646 0.0000 0.0000 34142.8767 -149443.6685 298.1782 -183586.5452 -149352.6569 297.8334 13.4720 42.7031 557144.0781 17.5518 17.4640 PRESSURE: 893600 -197.919 -47.4993 46.0705 -47.499 -54.9776 -53.9572 46.0705 -53.9569 -133.228 GPRESSURE: 893600 -187.287 -17.3581 41.4994 -43.2063 24.2934 -22.216 70.1542 -140.221 -125.092 PRESSAVG: 893600 32.5684 20.5781 -11.5851 20.5781 3.27358 -23.6805 -11.5852 -23.6805 -27.3867 GPRESSAVG: 893600 33.4476 21.2343 -11.9327 19.4474 3.71391 -22.7992 -11.2652 -24.5252 -28.1949 TIMING: 893600 CPU: 2683.24, 0.00297933/step Wall: 2683.24, 0.00297933/step, 3.39842 hours remaining, 208.214844 MB of memory in use. ENERGY: 893600 790.8748 2127.2235 1913.6209 107.3699 -206197.8811 17512.5035 0.0000 0.0000 34334.3320 -149411.9565 299.8503 -183746.2885 -149328.9851 298.6974 -128.7080 -96.0286 557199.7470 2.8184 2.9889 PRESSURE: 893800 -95.7768 19.8455 -12.0058 19.8465 -46.893 -58.725 -12.0066 -58.7248 -205.24 GPRESSURE: 893800 -94.1299 -46.7917 -27.2479 78.5391 39.0943 -85.5663 13.2806 -76.7712 -181.819 PRESSAVG: 893800 -7.08854 24.9446 -53.5775 24.9445 32.8515 -20.3617 -53.5774 -20.3617 -1.6047 GPRESSAVG: 893800 -6.27308 24.3016 -52.4024 23.0252 31.908 -20.4502 -55.6049 -18.1587 -1.56452 TIMING: 893800 CPU: 2683.83, 0.00298655/step Wall: 2683.83, 0.00298655/step, 3.40649 hours remaining, 208.214844 MB of memory in use. ENERGY: 893800 730.5852 2100.2746 1907.7998 113.2939 -206126.2462 17642.4765 0.0000 0.0000 34213.4534 -149418.3628 298.7946 -183631.8162 -149322.6587 298.8494 -115.9698 -78.9515 558228.3005 8.0528 8.0235 PRESSURE: 894000 -216.842 33.0039 -18.9838 33.0052 164.377 81.6208 -18.9835 81.6221 146.339 GPRESSURE: 894000 -208.699 57.1293 12.1277 59.3211 205.902 1.84731 3.22362 119.091 196.328 PRESSAVG: 894000 -53.3878 29.9568 27.0134 29.9569 90.2956 26.3836 27.0135 26.3835 -64.7142 GPRESSAVG: 894000 -53.0412 32.2821 27.0763 29.6478 90.818 26.8244 28.0219 25.768 -65.0612 TIMING: 894000 CPU: 2684.43, 0.00298389/step Wall: 2684.43, 0.00298389/step, 3.40329 hours remaining, 208.214844 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: 894000 726.1459 2056.7871 1923.1096 118.8943 -206041.3917 17900.5829 0.0000 0.0000 33923.0175 -149392.8544 296.2581 -183315.8718 -149298.6349 297.9798 31.2914 64.5107 557531.8027 -9.2688 -9.0948 PRESSURE: 894200 -53.0726 163.53 23.2751 163.53 -210.561 -133.47 23.2754 -133.47 -20.2635 GPRESSURE: 894200 -84.7194 181.462 -9.78201 69.0523 -180.959 -59.4019 44.0277 -122.636 77.0873 PRESSAVG: 894200 -100.368 -10.2522 -10.4977 -10.2523 21.7407 36.7055 -10.4977 36.7055 61.4198 GPRESSAVG: 894200 -102.312 -11.2936 -12.4131 -9.31075 22.7342 36.5892 -10.2189 35.5544 61.0821 TIMING: 894200 CPU: 2685.02, 0.00297428/step Wall: 2685.02, 0.00297428/step, 3.39216 hours remaining, 208.214844 MB of memory in use. ENERGY: 894200 771.7031 2099.7786 1918.6066 110.8427 -206050.7334 17742.9722 0.0000 0.0000 34164.2999 -149242.5304 298.3653 -183406.8303 -149148.4899 299.3075 -94.6322 -62.8638 557372.7648 -5.7357 -6.1653 PRESSURE: 894400 -221.443 158.186 -87.3779 158.187 -104.703 -97.4782 -87.3761 -97.4785 16.0689 GPRESSURE: 894400 -202.162 85.5945 -95.2192 192.711 -46.0806 -122.777 -172.471 -163.84 32.9837 PRESSAVG: 894400 -11.5769 11.8955 -41.5587 11.8955 -22.3809 -63.927 -41.5588 -63.9269 48.411 GPRESSAVG: 894400 -9.6379 12.4366 -42.8975 11.3542 -23.439 -63.602 -38.1626 -63.2326 47.4091 TIMING: 894400 CPU: 2685.62, 0.0029647/step Wall: 2685.62, 0.0029647/step, 3.38107 hours remaining, 208.214844 MB of memory in use. ENERGY: 894400 724.3755 2154.1187 1921.1895 120.2100 -206255.6821 17758.3734 0.0000 0.0000 34331.5937 -149245.8212 299.8263 -183577.4149 -149145.2324 298.7894 -103.3590 -71.7531 558660.0025 4.8177 4.7774 PRESSURE: 894600 19.1837 -136.38 -63.6217 -136.381 -49.6084 -128.733 -63.6208 -128.732 -58.7884 GPRESSURE: 894600 20.5194 -96.5278 -94.2736 -181.432 -18.1422 -129.617 -61.3715 -55.122 0.99166 PRESSAVG: 894600 -31.4693 -39.77 -28.6908 -39.7701 -45.44 -1.48183 -28.6908 -1.48187 49.7258 GPRESSAVG: 894600 -32.6044 -40.3923 -26.7837 -39.2848 -46.1194 0.238431 -30.9223 -3.26169 51.6438 TIMING: 894600 CPU: 2686.21, 0.00298286/step Wall: 2686.21, 0.00298286/step, 3.40163 hours remaining, 208.214844 MB of memory in use. ENERGY: 894600 730.3797 2138.4698 1911.1574 111.4917 -206171.0600 17718.7375 0.0000 0.0000 34317.1755 -149243.6484 299.7004 -183560.8239 -149142.8230 298.8674 -29.7377 1.1230 557176.3332 -9.0612 -9.0266 PRESSURE: 894800 -36.9665 90.7515 -51.8108 90.7512 -90.4693 182.402 -51.8114 182.402 24.0243 GPRESSURE: 894800 -19.9167 107.091 -21.4531 79.016 -71.9172 229.945 -76.7724 121.105 78.5602 PRESSAVG: 894800 1.13424 -31.3064 -15.8431 -31.3063 -8.68463 33.8342 -15.843 33.8341 71.9979 GPRESSAVG: 894800 1.80583 -32.172 -15.5247 -29.767 -9.06997 30.9577 -15.5659 35.486 71.5816 TIMING: 894800 CPU: 2686.81, 0.00298698/step Wall: 2686.81, 0.00298698/step, 3.40616 hours remaining, 208.214844 MB of memory in use. ENERGY: 894800 758.6449 2062.2788 1943.6313 113.7268 -206231.3741 17727.1744 0.0000 0.0000 34397.2058 -149228.7121 300.3994 -183625.9179 -149132.2375 299.3910 -34.4705 -4.4246 556518.3343 21.4825 21.4392 PRESSURE: 895000 367.555 12.3237 35.0416 12.3244 101.077 57.9557 35.0426 57.9551 118.808 GPRESSURE: 895000 372.827 -102.616 28.2947 -28.8516 163.746 90.3323 69.8804 10.2744 155.241 PRESSAVG: 895000 28.2589 -46.0792 -31.4624 -46.0791 -14.2341 72.138 -31.4625 72.1379 -28.28 GPRESSAVG: 895000 28.0503 -43.3089 -31.9553 -45.9973 -14.2894 73.3443 -30.2764 73.9872 -28.1102 TIMING: 895000 CPU: 2687.41, 0.00297401/step Wall: 2687.41, 0.00297401/step, 3.3912 hours remaining, 208.214844 MB of memory in use. ENERGY: 895000 717.0302 2091.4275 1926.8159 116.6844 -206323.6451 17982.5522 0.0000 0.0000 34351.2824 -149137.8525 299.9983 -183489.1349 -149035.3067 299.5249 195.8136 230.6047 556010.4914 -4.7517 -4.7831 PRESSURE: 895200 -183.372 -203.377 107.539 -203.378 41.0963 -21.2271 107.539 -21.2273 -351.789 GPRESSURE: 895200 -124.773 -211.879 127.237 -261.731 -5.99914 -23.0016 143.953 -100.251 -256.966 PRESSAVG: 895200 123.739 -5.53215 -10.1092 -5.53218 -20.2678 59.6354 -10.1093 59.6354 -79.6883 GPRESSAVG: 895200 124.734 -7.61454 -10.4592 -6.37519 -20.481 59.3933 -11.4372 58.6188 -80.8958 TIMING: 895200 CPU: 2688, 0.00296269/step Wall: 2688, 0.00296269/step, 3.37812 hours remaining, 208.214844 MB of memory in use. ENERGY: 895200 735.0899 2104.6116 1892.1865 122.6090 -205892.1064 17631.1557 0.0000 0.0000 34226.7636 -149179.6901 298.9108 -183406.4537 -149079.9715 299.7974 -164.6883 -129.2461 556911.3555 7.9277 7.7858 PRESSURE: 895400 -50.7302 -137.309 91.3093 -137.309 -17.8126 -168.514 91.3086 -168.514 -99.9501 GPRESSURE: 895400 -81.4305 -159.726 63.5515 -123.325 61.1589 -128.183 62.6976 -225.261 -57.1974 PRESSAVG: 895400 16.7076 -70.4545 -15.8512 -70.4545 13.6484 -0.983626 -15.8511 -0.983483 20.1777 GPRESSAVG: 895400 15.9554 -71.864 -15.5347 -71.3292 14.3311 -0.378428 -15.309 -3.63176 20.5034 TIMING: 895400 CPU: 2688.6, 0.00298239/step Wall: 2688.6, 0.00298239/step, 3.40042 hours remaining, 208.214844 MB of memory in use. ENERGY: 895400 724.0220 2152.5475 1904.2736 112.0737 -205974.7306 17646.1997 0.0000 0.0000 34205.7625 -149229.8515 298.7274 -183435.6140 -149129.5266 299.7290 -56.1643 -25.8230 557007.0025 16.8446 16.9300 PRESSURE: 895600 -31.0833 122.544 110.412 122.545 -50.8962 -62.1467 110.412 -62.146 -17.7872 GPRESSURE: 895600 -50.4432 126.804 165.342 102.742 -11.6221 -13.6827 -3.28196 22.06 53.1465 PRESSAVG: 895600 -33.966 -34.4336 22.8341 -34.4336 -23.9065 22.4989 22.8341 22.4989 15.932 GPRESSAVG: 895600 -33.9539 -33.5198 23.7249 -35.7902 -23.8749 23.2842 21.5137 24.2065 16.2241 TIMING: 895600 CPU: 2689.19, 0.00299352/step Wall: 2689.19, 0.00299352/step, 3.41294 hours remaining, 208.214844 MB of memory in use. ENERGY: 895600 725.0913 2125.0777 1940.7407 105.7732 -206124.8665 17693.5580 0.0000 0.0000 34219.8156 -149314.8100 298.8502 -183534.6256 -149215.4311 299.3674 -33.2556 -2.9729 556294.7259 -13.9802 -13.8682 PRESSURE: 895800 -267.036 145.483 160.124 145.484 73.4795 -36.8609 160.125 -36.8594 2.50368 GPRESSURE: 895800 -180.499 161.541 203.998 87.3638 74.8798 -86.2794 153.764 -5.70184 6.10906 PRESSAVG: 895800 27.9074 52.3698 61.6623 52.3698 -0.767338 -18.3387 61.6622 -18.3387 -86.917 GPRESSAVG: 895800 27.7489 52.6912 62.0256 54.8155 -0.437501 -19.4912 63.7503 -17.756 -87.4397 TIMING: 895800 CPU: 2689.8, 0.00301047/step Wall: 2689.8, 0.00301047/step, 3.4321 hours remaining, 208.214844 MB of memory in use. ENERGY: 895800 734.3077 2052.0205 1939.0990 112.5244 -206162.1461 17824.9361 0.0000 0.0000 34300.3524 -149198.9060 299.5535 -183499.2584 -149100.8071 299.6627 -63.6842 -33.1700 558770.3872 -19.9256 -20.0427 PRESSURE: 896000 -74.5505 44.4144 14.1208 44.4142 -238.962 15.2951 14.1188 15.2939 -59.4705 GPRESSURE: 896000 -76.1853 27.6014 37.9376 83.6828 -160.28 -100.708 -3.964 158.011 -37.422 PRESSAVG: 896000 47.3365 1.83994 18.5018 1.83992 26.0448 -24.3013 18.5018 -24.3013 -56.9612 GPRESSAVG: 896000 46.3376 2.68622 17.0505 1.22925 26.2649 -25.157 19.1652 -24.2945 -56.3893 TIMING: 896000 CPU: 2690.4, 0.00300316/step Wall: 2690.4, 0.00300316/step, 3.42361 hours remaining, 208.214844 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: 896000 723.7609 2070.9336 1922.9204 116.1242 -206493.1224 17863.6546 0.0000 0.0000 34342.3675 -149453.3612 299.9204 -183795.7286 -149355.3075 299.0007 -124.3277 -91.2959 557590.0493 5.4734 5.4044 PRESSURE: 896200 -100.721 -58.7622 -6.21216 -58.7617 121.798 154.814 -6.21273 154.814 -105.014 GPRESSURE: 896200 -71.8315 -112.449 -43.1735 13.1379 151.626 192.823 -143.006 158.888 -64.2096 PRESSAVG: 896200 22.6164 -16.8822 9.4082 -16.8823 -4.28761 -10.2532 9.40818 -10.2531 -41.993 GPRESSAVG: 896200 23.435 -18.9132 8.95082 -14.5801 -4.889 -7.83078 7.77325 -12.9721 -41.9005 TIMING: 896200 CPU: 2691, 0.0030057/step Wall: 2691, 0.0030057/step, 3.42633 hours remaining, 208.214844 MB of memory in use. ENERGY: 896200 761.2933 2080.8180 1933.7487 110.7415 -206324.1795 17819.6322 0.0000 0.0000 34169.0230 -149448.9229 298.4066 -183617.9459 -149351.1379 299.1798 -27.9793 5.1951 558413.0852 -7.8881 -7.7848 LDB: ============= START OF LOAD BALANCING ============== 2694.51 LDB: ============== END OF LOAD BALANCING =============== 2694.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2694.52 LDB: ============= START OF LOAD BALANCING ============== 2694.82 LDB: Largest compute 4800 load 0.027783 is 23.6% of average load 0.117892 LDB: Average compute 0.001730 is 1.5% of average load 0.117892 LDB: TIME 2694.82 LOAD: AVG 0.117892 MAX 0.207231 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.48 MB LDB: TIME 2694.82 LOAD: AVG 0.117892 MAX 0.207231 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.484 MB LDB: TIME 2694.82 LOAD: AVG 0.117892 MAX 0.207231 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.484 MB LDB: ============== END OF LOAD BALANCING =============== 2694.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2694.82 PRESSURE: 896400 -55.597 -67.5818 6.14948 -67.5825 -179.014 21.9851 6.14876 21.9852 -4.66909 GPRESSURE: 896400 -24.1918 -62.5185 -41.5968 -71.0895 -129.535 0.627509 60.2382 33.2745 4.77849 PRESSAVG: 896400 -47.2831 -30.4523 -34.9133 -30.4524 35.6748 11.3196 -34.9133 11.3196 -37.451 GPRESSAVG: 896400 -46.6854 -28.8532 -34.953 -32.0796 36.5138 8.65085 -36.1639 14.1877 -38.5015 TIMING: 896400 CPU: 2691.61, 0.00305078/step Wall: 2691.61, 0.00305078/step, 3.47755 hours remaining, 206.937500 MB of memory in use. ENERGY: 896400 742.0279 2108.4825 1923.1277 114.5541 -206157.3499 17700.1073 0.0000 0.0000 34085.8679 -149483.1825 297.6804 -183569.0505 -149388.0208 298.5216 -79.7600 -49.6493 558734.9825 -16.3531 -16.2244 PRESSURE: 896600 -98.4755 -58.7603 70.7672 -58.7604 -120.651 50.3544 70.767 50.353 -189.709 GPRESSURE: 896600 -71.0313 -24.8746 88.7879 -25.8866 -109.573 101.611 60.3511 -13.0721 -138.337 PRESSAVG: 896600 65.8305 -61.9707 -2.96659 -61.9706 -65.3248 -23.1308 -2.9665 -23.1308 19.7654 GPRESSAVG: 896600 65.5082 -61.4723 -2.00793 -63.6431 -66.4849 -20.7524 -0.622491 -23.3018 21.4648 TIMING: 896600 CPU: 2692.21, 0.00299221/step Wall: 2692.21, 0.00299221/step, 3.41062 hours remaining, 207.140625 MB of memory in use. ENERGY: 896600 762.6686 2072.4683 1935.6281 110.3317 -206117.1151 17737.0239 0.0000 0.0000 34024.4045 -149474.5899 297.1436 -183498.9944 -149383.3562 298.0895 -136.2785 -106.3136 557133.7079 6.7570 6.8294 PRESSURE: 896800 -14.2678 50.099 38.1191 50.1007 187.038 -5.18566 38.1189 -5.18765 37.0068 GPRESSURE: 896800 36.4013 12.8951 91.0201 38.5817 180.999 -45.2989 86.6487 -12.0875 89.5113 PRESSAVG: 896800 56.5283 6.25753 -1.39738 6.25756 -25.0442 -13.7598 -1.39739 -13.7598 -58.9174 GPRESSAVG: 896800 57.1149 4.78853 -3.0384 5.22854 -24.6165 -13.3859 -2.08869 -14.5131 -59.487 TIMING: 896800 CPU: 2692.81, 0.00303477/step Wall: 2692.81, 0.00303477/step, 3.45896 hours remaining, 207.140625 MB of memory in use. ENERGY: 896800 746.5320 2114.7785 1933.7690 119.4357 -206380.6289 17948.7991 0.0000 0.0000 34128.7758 -149388.5388 298.0551 -183517.3147 -149293.6594 298.3047 69.9256 102.3039 557541.0969 -9.1444 -8.9962 PRESSURE: 897000 -136.961 -73.9146 -127.354 -73.9157 -396.26 -76.427 -127.353 -76.4263 -70.7903 GPRESSURE: 897000 -139.792 -36.009 -168.661 -41.6673 -326.957 -101.787 -107.113 -65.7618 -44.681 PRESSAVG: 897000 -10.8729 34.7418 -49.4269 34.7417 -3.25883 53.8536 -49.4269 53.8535 7.51412 GPRESSAVG: 897000 -10.2127 34.5351 -48.0415 37.5859 -3.86201 51.1078 -50.2157 54.8193 7.74339 TIMING: 897000 CPU: 2693.42, 0.00303048/step Wall: 2693.42, 0.00303048/step, 3.45391 hours remaining, 207.140625 MB of memory in use. ENERGY: 897000 746.1134 2134.7714 1925.0215 116.6864 -206151.8322 17624.5288 0.0000 0.0000 34108.2879 -149496.4229 297.8762 -183604.7108 -149400.3961 298.8451 -201.3371 -170.4768 557684.6759 -2.2059 -2.1105 PRESSURE: 897200 -17.7369 73.6881 25.6629 73.6878 -263.511 197.95 25.6634 197.95 197.122 GPRESSURE: 897200 42.3481 85.0687 71.3169 -6.89474 -210.144 167.757 11.2881 268.047 176.354 PRESSAVG: 897200 61.9656 -37.5755 7.09607 -37.5757 -55.2212 10.4534 7.0961 10.4533 32.768 GPRESSAVG: 897200 61.2064 -35.224 5.21055 -40.6624 -55.1453 14.0894 8.10022 11.0214 33.6893 TIMING: 897200 CPU: 2694.03, 0.00303022/step Wall: 2694.03, 0.00303022/step, 3.45345 hours remaining, 207.398438 MB of memory in use. ENERGY: 897200 744.7584 2120.5313 1926.6413 112.9805 -206125.6906 17742.2830 0.0000 0.0000 34145.9215 -149332.5746 298.2048 -183478.4961 -149231.5860 298.5316 -28.0419 2.8529 557769.7690 13.1708 13.2501 PRESSURE: 897400 -254.177 33.7224 155.349 33.7208 -230.917 61.3122 155.349 61.3107 -149.648 GPRESSURE: 897400 -228.007 47.8221 91.4236 -10.5138 -185.768 43.4718 183.551 30.3713 -119.785 PRESSAVG: 897400 -44.0727 22.6634 -76.4906 22.6633 3.20661 49.2814 -76.4906 49.2815 9.88777 GPRESSAVG: 897400 -44.4988 21.4087 -73.7516 24.5656 4.33214 48.1701 -77.3541 49.4141 9.91787 TIMING: 897400 CPU: 2694.63, 0.00300948/step Wall: 2694.63, 0.00300948/step, 3.42963 hours remaining, 207.398438 MB of memory in use. ENERGY: 897400 771.6255 2095.6673 1911.9951 114.3304 -206222.6543 17665.1335 0.0000 0.0000 34226.9937 -149436.9089 298.9128 -183663.9026 -149339.4934 298.7250 -211.5805 -177.8531 559109.1072 -10.3261 -10.0829 PRESSURE: 897600 -49.2531 10.8752 -11.0373 10.8762 51.0325 7.59013 -11.0366 7.59139 33.6117 GPRESSURE: 897600 55.5108 56.8694 23.1042 -63.7614 52.3572 22.2655 -16.2367 22.2727 19.0134 PRESSAVG: 897600 -90.2691 -12.4755 23.1678 -12.4755 92.8884 43.4575 23.1677 43.4575 36.6999 GPRESSAVG: 897600 -88.8311 -12.8228 21.354 -12.7026 92.6882 43.268 23.8204 42.7024 35.7864 TIMING: 897600 CPU: 2695.23, 0.0030145/step Wall: 2695.23, 0.0030145/step, 3.43519 hours remaining, 207.398438 MB of memory in use. ENERGY: 897600 744.7174 2125.1387 1898.1435 109.4582 -206248.4161 17880.3450 0.0000 0.0000 34250.5351 -149240.0781 299.1184 -183490.6133 -149143.7939 298.8404 11.7970 42.2938 558428.4000 13.1064 13.2145 PRESSURE: 897800 128.818 99.0818 -68.552 99.0809 -294.007 86.4981 -68.5522 86.4981 -369.331 GPRESSURE: 897800 152.366 56.8867 -38.6533 133.095 -256.95 -4.28788 -112.733 99.6632 -348.071 PRESSAVG: 897800 7.97017 5.53148 -29.1207 5.53147 -16.8737 18.1257 -29.1207 18.1257 17.0275 GPRESSAVG: 897800 8.29448 5.4186 -29.2749 4.92876 -18.2894 17.3401 -28.3123 17.2047 17.9332 TIMING: 897800 CPU: 2695.83, 0.00301589/step Wall: 2695.83, 0.00301589/step, 3.4366 hours remaining, 207.398438 MB of memory in use. ENERGY: 897800 744.7761 2166.4425 1926.7851 105.5559 -205976.9080 17501.5223 0.0000 0.0000 34358.4884 -149173.3377 300.0612 -183531.8261 -149076.9386 299.4780 -178.1732 -150.8849 558405.3610 2.7080 2.6461 PRESSURE: 898000 -4.51711 -7.68844 -127.935 -7.68921 -203.688 117.046 -127.934 117.046 -117.927 GPRESSURE: 898000 -0.467925 -14.3897 -117.01 -29.4069 -138.659 132.91 -184.611 8.93346 -78.133 PRESSAVG: 898000 48.8413 29.1104 1.41652 29.1103 -48.0029 -29.268 1.41656 -29.268 -27.0684 GPRESSAVG: 898000 48.1144 30.2631 1.44643 28.7506 -47.2016 -28.4204 -0.851371 -27.9541 -27.3336 TIMING: 898000 CPU: 2696.44, 0.00302125/step Wall: 2696.44, 0.00302125/step, 3.44255 hours remaining, 207.398438 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: 898000 748.2009 2139.6320 1916.8949 107.7745 -205990.1799 17586.7679 0.0000 0.0000 34213.3373 -149277.5724 298.7936 -183490.9096 -149186.2893 299.0849 -108.7107 -72.4200 557707.2227 -8.7433 -8.8069 PRESSURE: 898200 77.8056 -91.1334 102.598 -91.1344 13.9583 -74.4755 102.599 -74.4751 -88.5263 GPRESSURE: 898200 68.0371 -9.46231 99.9434 -94.7084 105.333 -121.423 189.514 -81.1665 -62.3344 PRESSAVG: 898200 39.0568 59.8972 -2.69487 59.8972 3.02686 10.8455 -2.6948 10.8456 -40.4765 GPRESSAVG: 898200 39.9853 58.3481 -0.415633 59.4582 2.60519 8.58401 -0.844588 11.8078 -40.3967 TIMING: 898200 CPU: 2697.04, 0.0030111/step Wall: 2697.04, 0.0030111/step, 3.43081 hours remaining, 207.398438 MB of memory in use. ENERGY: 898200 779.0331 2130.3217 1914.4378 102.5766 -206479.1712 18050.8771 0.0000 0.0000 34268.0179 -149233.9070 299.2711 -183501.9249 -149139.6221 299.5981 1.0792 37.0120 557675.1839 0.5357 0.7313 PRESSURE: 898400 -414.621 67.7105 -101.579 67.7094 -161.329 -126.794 -101.578 -126.794 -224.449 GPRESSURE: 898400 -368.751 -12.3094 -45.2087 113.828 -109.148 -152.297 -99.9381 -158.317 -230.124 PRESSAVG: 898400 15.2625 -9.48707 50.2018 -9.48707 85.8716 -11.5034 50.2019 -11.5034 -74.165 GPRESSAVG: 898400 13.8063 -7.351 50.1407 -7.67307 86.9482 -9.43485 49.9555 -11.9324 -74.587 TIMING: 898400 CPU: 2697.64, 0.00301925/step Wall: 2697.64, 0.00301925/step, 3.43993 hours remaining, 207.398438 MB of memory in use. ENERGY: 898400 777.9461 2113.7214 1933.8233 109.9926 -205809.6810 17511.1198 0.0000 0.0000 34266.1766 -149096.9013 299.2550 -183363.0779 -149000.4701 299.9010 -266.7999 -236.0079 558398.2795 8.9897 8.7225 PRESSURE: 898600 -129.46 5.60031 -84.7914 5.59968 42.0625 -25.1697 -84.7911 -25.1682 -101.957 GPRESSURE: 898600 -65.0096 36.2085 -14.2174 -0.379819 50.3117 -8.78414 -123.944 -45.3855 -82.5637 PRESSAVG: 898600 -18.5409 -40.2007 50.4789 -40.2006 34.8429 -18.0065 50.4789 -18.0065 14.0095 GPRESSAVG: 898600 -17.6652 -41.3733 49.3742 -41.2219 34.0055 -18.7402 50.5159 -19.1238 13.7894 TIMING: 898600 CPU: 2698.25, 0.00303556/step Wall: 2698.25, 0.00303556/step, 3.45834 hours remaining, 207.398438 MB of memory in use. ENERGY: 898600 733.7082 2146.2164 1945.1267 109.7851 -206142.7110 17647.1339 0.0000 0.0000 34413.2637 -149147.4770 300.5396 -183560.7408 -149048.0599 300.0239 -63.1182 -32.4205 556504.4345 10.1038 10.0432 PRESSURE: 898800 -56.3075 -203.041 122.942 -203.041 355.613 103.729 122.94 103.729 141.674 GPRESSURE: 898800 -7.9869 -129.68 161.696 -229.953 359.228 94.8105 110.445 103.198 189.232 PRESSAVG: 898800 -63.6767 -10.1006 14.5445 -10.1006 25.8701 11.4911 14.5446 11.4912 22.5853 GPRESSAVG: 898800 -62.5196 -11.3121 14.5019 -8.27567 24.5182 11.5239 13.5986 11.6697 22.3741 TIMING: 898800 CPU: 2698.86, 0.0030513/step Wall: 2698.86, 0.0030513/step, 3.47611 hours remaining, 207.398438 MB of memory in use. ENERGY: 898800 731.4695 2145.7638 1901.0584 116.8623 -206437.8353 18015.8220 0.0000 0.0000 34183.4762 -149343.3830 298.5328 -183526.8593 -149246.6562 299.0114 146.9935 180.1577 556726.8724 -5.0738 -5.2091 PRESSURE: 899000 -350.336 -63.8047 43.6152 -63.8033 -226.601 6.76297 43.6163 6.76299 -15.8951 GPRESSURE: 899000 -351.142 -120.023 36.8905 -78.0688 -177.249 51.3284 61.5804 51.9693 22.6111 PRESSAVG: 899000 -7.08559 -24.4315 31.4074 -24.4316 90.1898 26.7663 31.4075 26.7663 -21.1051 GPRESSAVG: 899000 -8.76696 -22.241 31.6999 -26.3506 90.328 27.417 31.535 27.23 -20.0977 TIMING: 899000 CPU: 2699.47, 0.00304415/step Wall: 2699.47, 0.00304415/step, 3.4678 hours remaining, 207.398438 MB of memory in use. ENERGY: 899000 750.2055 2101.0847 1932.0669 110.3388 -206077.8239 17552.1298 0.0000 0.0000 34371.6020 -149260.3962 300.1757 -183631.9982 -149162.3440 298.8495 -197.6107 -168.5932 558213.9896 20.6664 20.4878 PRESSURE: 899200 78.3512 18.2281 35.9491 18.2277 -264.228 91.2158 35.9509 91.2173 -261.076 GPRESSURE: 899200 64.5738 37.2867 -56.1736 -54.8831 -168.085 62.5378 47.4211 39.4258 -241.844 PRESSAVG: 899200 -26.3773 -18.9901 -23.7418 -18.9901 38.4096 22.5567 -23.7419 22.5566 -70.9806 GPRESSAVG: 899200 -25.6828 -18.7626 -23.6366 -20.5578 38.9746 21.9953 -22.7793 21.9823 -72.441 TIMING: 899200 CPU: 2700.07, 0.00301824/step Wall: 2700.07, 0.00301824/step, 3.43811 hours remaining, 207.398438 MB of memory in use. ENERGY: 899200 794.9795 2128.7079 1906.0097 123.4529 -205967.7018 17792.7122 0.0000 0.0000 33903.5276 -149318.3120 296.0879 -183221.8396 -149222.7942 298.6704 -148.9842 -115.1181 559791.6258 -19.6494 -19.7164 PRESSURE: 899400 15.211 199.001 100.428 199.001 21.9405 57.646 100.427 57.6441 -66.268 GPRESSURE: 899400 60.1067 172.519 157.387 198.541 11.048 91.6153 63.9296 79.2704 -10.6508 PRESSAVG: 899400 13.6236 -11.1248 32.8445 -11.1248 -54.534 -6.36081 32.8445 -6.36097 -38.7873 GPRESSAVG: 899400 13.9409 -14.7325 34.7705 -7.83388 -55.5676 -5.2076 31.9606 -6.05331 -38.4607 TIMING: 899400 CPU: 2700.68, 0.00302901/step Wall: 2700.68, 0.00302901/step, 3.45022 hours remaining, 207.398438 MB of memory in use. ENERGY: 899400 743.4405 2076.1599 1885.6580 95.7043 -206484.0196 17905.9859 0.0000 0.0000 34463.4882 -149313.5830 300.9782 -183777.0712 -149216.9449 299.2036 -9.7055 20.1680 558172.4119 -26.5659 -26.6958 PRESSURE: 899600 -79.3559 89.6062 88.3651 89.6063 -91.6261 94.1806 88.3656 94.1832 67.6023 GPRESSURE: 899600 -27.941 157.787 109.01 83.3669 -59.9961 80.9654 89.6828 90.0219 74.9856 PRESSAVG: 899600 31.6809 -2.31422 -62.7497 -2.31425 -8.97213 -59.204 -62.7496 -59.204 12.6837 GPRESSAVG: 899600 30.9935 2.3192 -64.7956 -5.4425 -7.91281 -61.4067 -61.6029 -58.605 12.4936 TIMING: 899600 CPU: 2701.28, 0.00302479/step Wall: 2701.28, 0.00302479/step, 3.44523 hours remaining, 207.398438 MB of memory in use. ENERGY: 899600 729.9687 2109.6539 1904.4170 106.7460 -206050.8919 17826.3981 0.0000 0.0000 34014.8152 -149358.8930 297.0598 -183373.7082 -149263.1230 299.3809 -34.4599 -4.3171 557788.7254 11.7975 11.8581 PRESSURE: 899800 -220.355 -17.4246 -77.6283 -17.4246 128.701 144.622 -77.6269 144.622 -112.71 GPRESSURE: 899800 -208.861 52.1007 -38.8645 -10.2726 188.779 175.31 -44.2842 -11.9912 -87.237 PRESSAVG: 899800 -38.3579 -44.629 1.01701 -44.629 23.2547 -19.1853 1.01704 -19.1854 14.6869 GPRESSAVG: 899800 -39.3227 -47.1628 2.14057 -41.0742 23.4955 -19.1042 -0.446249 -18.2899 15.2733 TIMING: 899800 CPU: 2701.89, 0.00300877/step Wall: 2701.89, 0.00300877/step, 3.42682 hours remaining, 207.398438 MB of memory in use. ENERGY: 899800 740.7962 2178.5283 1932.8291 121.1823 -206581.8303 17846.1103 0.0000 0.0000 34348.3879 -149413.9961 299.9730 -183762.3840 -149322.6881 298.7203 -68.1214 -35.7732 557559.9830 -0.1388 -0.1847 PRESSURE: 900000 -322.176 -59.745 143.824 -59.7448 70.4362 -22.7009 143.822 -22.7026 234.75 GPRESSURE: 900000 -260.882 -25.2677 105.869 -36.4606 72.468 33.7116 140.751 -34.3901 268.412 PRESSAVG: 900000 -85.8518 -1.23873 17.9744 -1.23863 67.5353 -48.2571 17.9744 -48.257 41.3662 GPRESSAVG: 900000 -85.2219 1.5243 17.8616 -2.33353 66.6268 -47.8879 17.9737 -48.9969 41.9278 TIMING: 900000 CPU: 2702.49, 0.00300382/step Wall: 2702.49, 0.00300382/step, 3.42101 hours remaining, 207.398438 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: 900000 729.7184 2134.3901 1906.9372 105.2381 -206275.4771 17894.3334 0.0000 0.0000 34137.4791 -149367.3809 298.1311 -183504.8600 -149270.8366 299.3932 -5.6633 26.6659 557500.8329 7.6832 7.7776 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 900000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 900000 WRITING COORDINATES TO RESTART FILE AT STEP 900000 FINISHED WRITING RESTART COORDINATES The last position output (seq=900000) takes 0.010 seconds, 207.398 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 900200 98.3368 -26.5994 1.38251 -26.5995 -1.19635 -59.2213 1.38252 -59.2211 42.4795 GPRESSURE: 900200 97.2928 0.307131 4.63523 -40.6972 57.4606 -129.353 -3.80758 -27.133 74.028 PRESSAVG: 900200 -39.6449 15.1192 35.2011 15.1191 45.8713 -54.3051 35.2012 -54.3051 -15.0564 GPRESSAVG: 900200 -39.3758 13.159 32.6805 14.6587 47.3192 -53.6774 35.2087 -53.8881 -16.6343 TIMING: 900200 CPU: 2703.11, 0.00309867/step Wall: 2703.11, 0.00309867/step, 3.52887 hours remaining, 207.523438 MB of memory in use. ENERGY: 900200 765.6289 2094.5860 1890.4509 105.6456 -206814.1157 18135.0364 0.0000 0.0000 34332.7721 -149489.9960 299.8366 -183822.7680 -149394.7170 298.4976 46.5400 76.2605 555362.8051 -2.9434 -2.8970 LDB: ============= START OF LOAD BALANCING ============== 2706.62 LDB: ============== END OF LOAD BALANCING =============== 2706.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2706.63 LDB: ============= START OF LOAD BALANCING ============== 2706.93 LDB: Largest compute 4794 load 0.026996 is 22.9% of average load 0.117956 LDB: Average compute 0.001734 is 1.5% of average load 0.117956 LDB: TIME 2706.93 LOAD: AVG 0.117956 MAX 0.207436 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.938 MB LDB: TIME 2706.93 LOAD: AVG 0.117956 MAX 0.207436 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.145 MB LDB: TIME 2706.93 LOAD: AVG 0.117956 MAX 0.207436 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.145 MB LDB: ============== END OF LOAD BALANCING =============== 2706.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2706.93 PRESSURE: 900400 45.7255 -115.09 -46.0029 -115.09 12.2962 -151.408 -46.0021 -151.408 -184.304 GPRESSURE: 900400 41.6848 -132.412 -11.6417 -40.8653 19.4137 -51.8985 -72.5179 -266.023 -89.5587 PRESSAVG: 900400 8.32659 -46.2556 -33.1747 -46.2556 34.4823 -38.2421 -33.1747 -38.242 -68.5013 GPRESSAVG: 900400 5.81468 -46.8079 -33.311 -44.8942 34.1222 -38.8475 -31.7678 -38.5431 -65.9792 TIMING: 900400 CPU: 2703.72, 0.00305496/step Wall: 2703.72, 0.00305496/step, 3.47893 hours remaining, 208.230469 MB of memory in use. ENERGY: 900400 756.0299 2110.1787 1917.2937 106.5863 -206152.5257 17617.4801 0.0000 0.0000 34234.3173 -149410.6398 298.9768 -183644.9571 -149318.9861 299.1690 -42.0940 -9.4868 555655.4251 -8.5641 -8.6808 PRESSURE: 900600 47.2628 -10.8253 -171.061 -10.8264 18.756 237.742 -171.062 237.74 -16.9643 GPRESSURE: 900600 82.7246 55.7979 -105.223 -101.577 82.1999 228.512 -93.6048 221.281 -23.3457 PRESSAVG: 900600 53.7552 -74.8609 -13.8141 -74.861 18.863 -5.23722 -13.8142 -5.23709 -10.6282 GPRESSAVG: 900600 56.0976 -73.4008 -12.9799 -76.5518 17.232 -3.34698 -14.1159 -3.70197 -10.9538 TIMING: 900600 CPU: 2704.32, 0.00302475/step Wall: 2704.32, 0.00302475/step, 3.44435 hours remaining, 208.300781 MB of memory in use. ENERGY: 900600 758.9313 2132.1818 1944.4011 122.6190 -206125.2821 17653.5890 0.0000 0.0000 34214.7694 -149298.7904 298.8061 -183513.5599 -149205.3874 298.4245 16.3515 47.1930 557049.0345 20.6633 20.7919 PRESSURE: 900800 158.571 -39.1041 58.3981 -39.1046 129.741 222.494 58.3983 222.495 -248.029 GPRESSURE: 900800 233.424 -70.6434 59.6936 -2.80285 104.047 229.327 93.263 150.864 -190.919 PRESSAVG: 900800 -20.1224 -5.97231 4.34532 -5.97226 66.8568 39.282 4.34539 39.282 -26.6076 GPRESSAVG: 900800 -19.29 -7.00135 5.01203 -4.16155 67.9675 39.4145 1.07723 37.8335 -27.7904 TIMING: 900800 CPU: 2704.92, 0.00299223/step Wall: 2704.92, 0.00299223/step, 3.40716 hours remaining, 208.300781 MB of memory in use. ENERGY: 900800 706.1440 2109.5681 1897.8525 115.0935 -206224.7022 17712.9861 0.0000 0.0000 34282.5036 -149400.5545 299.3976 -183683.0581 -149306.8123 298.9319 13.4274 48.8509 556272.6255 6.7089 6.9624 PRESSURE: 901000 83.3131 -19.9609 -14.5632 -19.9598 -202.633 45.2005 -14.5631 45.202 -173.369 GPRESSURE: 901000 70.358 -13.405 -48.0338 -39.5845 -136.914 47.8047 25.5541 20.7042 -124.287 PRESSAVG: 901000 37.1576 -38.8108 -62.0891 -38.8107 -3.90629 20.4678 -62.0891 20.4677 -40.9333 GPRESSAVG: 901000 37.0812 -39.5127 -63.2371 -37.94 -3.26812 18.949 -59.6475 20.8349 -41.6761 TIMING: 901000 CPU: 2705.52, 0.00301034/step Wall: 2705.52, 0.00301034/step, 3.42761 hours remaining, 208.300781 MB of memory in use. ENERGY: 901000 722.0435 2102.3245 1931.8871 123.2539 -206120.4215 17636.5962 0.0000 0.0000 34306.4454 -149297.8709 299.6067 -183604.3163 -149204.9474 299.5587 -97.5629 -63.6143 557205.0843 -2.5607 -2.6210 PRESSURE: 901200 -221.892 106.9 -67.3992 106.9 -23.6166 86.9678 -67.4008 86.9688 -4.29889 GPRESSURE: 901200 -136.991 150.564 -101.711 42.8033 -5.4614 127.785 -50.5004 94.078 -7.15769 PRESSAVG: 901200 43.6605 -24.3952 0.86772 -24.3952 -11.1663 26.2005 0.867749 26.2004 -3.22914 GPRESSAVG: 901200 42.3418 -22.1897 0.389473 -27.5889 -11.421 26.6758 0.292023 26.0252 -2.06852 TIMING: 901200 CPU: 2706.12, 0.00297551/step Wall: 2706.12, 0.00297551/step, 3.38778 hours remaining, 208.300781 MB of memory in use. ENERGY: 901200 759.1714 2124.7217 1911.4614 123.2972 -206219.5356 17709.9733 0.0000 0.0000 34183.7400 -149407.1706 298.5351 -183590.9106 -149321.5033 299.1801 -83.2692 -49.8702 556117.2149 9.7550 9.6174 PRESSURE: 901400 -35.1952 -122.302 -37.0333 -122.301 102.06 119.446 -37.0331 119.444 69.7954 GPRESSURE: 901400 -59.9559 -105.987 -95.7142 -125.463 128.943 161.874 26.7224 149.876 149.554 PRESSAVG: 901400 10.8737 -48.8006 41.2525 -48.8006 -62.263 13.4211 41.2525 13.4212 45.8267 GPRESSAVG: 901400 11.4724 -50.5695 41.9811 -47.1587 -63.5062 12.9363 42.1219 13.9972 46.7142 TIMING: 901400 CPU: 2706.71, 0.00296949/step Wall: 2706.71, 0.00296949/step, 3.38077 hours remaining, 208.300781 MB of memory in use. ENERGY: 901400 725.9361 2082.7207 1919.0588 113.0717 -206200.4811 17857.7801 0.0000 0.0000 33980.5521 -149521.3617 296.7606 -183501.9138 -149416.8654 298.1535 45.5535 72.8471 557956.9035 -1.8542 -1.7732 PRESSURE: 901600 -328.19 29.7591 73.9938 29.7594 -185.614 -80.857 73.9937 -80.8567 -83.6482 GPRESSURE: 901600 -309.095 27.1447 9.93887 4.43001 -97.4945 -113.561 54.4565 -31.6294 -110.006 PRESSAVG: 901600 16.7664 -4.34758 20.811 -4.3476 9.14102 18.4619 20.811 18.4619 17.0574 GPRESSAVG: 901600 17.3332 -2.57145 22.8169 -4.41183 9.34254 18.6865 19.2047 16.5511 17.0039 TIMING: 901600 CPU: 2707.31, 0.00298651/step Wall: 2707.31, 0.00298651/step, 3.39998 hours remaining, 208.300781 MB of memory in use. ENERGY: 901600 775.2378 2072.5645 1920.4968 122.0997 -206236.2501 17621.1763 0.0000 0.0000 34164.8548 -149559.8203 298.3702 -183724.6750 -149464.2381 298.4986 -199.1508 -172.1983 556655.6841 14.3216 14.5599 PRESSURE: 901800 -230.534 3.783 140.33 3.78297 -14.3651 -85.0472 140.33 -85.05 -266.175 GPRESSURE: 901800 -267.687 12.4711 159.487 -34.0626 56.0444 -98.9676 171.946 -19.2693 -212.961 PRESSAVG: 901800 21.1948 -49.5707 5.14869 -49.5708 49.2967 13.7474 5.14869 13.7472 7.41973 GPRESSAVG: 901800 20.8647 -49.635 4.70979 -52.1964 49.803 15.072 6.61037 13.371 7.09558 TIMING: 901800 CPU: 2707.91, 0.00299064/step Wall: 2707.91, 0.00299064/step, 3.40451 hours remaining, 208.300781 MB of memory in use. ENERGY: 901800 756.1064 2074.7935 1907.8721 103.9641 -206252.1202 17614.7574 0.0000 0.0000 34152.4357 -149642.1910 298.2617 -183794.6267 -149546.8989 298.0173 -170.3580 -141.5343 557025.8547 25.9704 25.9211 PRESSURE: 902000 -578.729 -49.6716 -109.731 -49.6722 -139.215 117.795 -109.732 117.795 -39.8756 GPRESSURE: 902000 -564.184 -29.8912 -51.8768 -67.5388 -123.773 243.067 -52.9802 104.347 16.486 PRESSAVG: 902000 -22.4446 36.4557 -16.8273 36.4558 -3.97715 9.49474 -16.8274 9.49481 5.00475 GPRESSAVG: 902000 -21.7747 34.2652 -15.6383 39.0522 -3.45279 8.70246 -18.1737 11.4252 4.06621 TIMING: 902000 CPU: 2708.51, 0.00300585/step Wall: 2708.51, 0.00300585/step, 3.42166 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: 902000 735.9757 2144.8131 1910.9081 106.8480 -205868.3324 17383.4350 0.0000 0.0000 34068.5870 -149517.7655 297.5294 -183586.3525 -149415.6169 297.6045 -252.6064 -223.8237 556579.1428 -7.1390 -7.0537 PRESSURE: 902200 326.632 26.3403 39.1946 26.3394 129.413 -24.0925 39.1952 -24.095 210.867 GPRESSURE: 902200 383.974 38.393 -55.1204 -32.0447 197.858 39.798 110.239 -41.7115 183.949 PRESSAVG: 902200 -19.896 -17.5982 -44.3068 -17.5982 16.2844 -7.62565 -44.3069 -7.62573 26.0388 GPRESSAVG: 902200 -20.2204 -16.8198 -47.088 -19.4659 16.3585 -6.17659 -42.6971 -8.30966 26.4036 TIMING: 902200 CPU: 2709.11, 0.00299193/step Wall: 2709.11, 0.00299193/step, 3.40564 hours remaining, 208.300781 MB of memory in use. ENERGY: 902200 729.0276 2111.1403 1909.0604 121.1130 -206848.5439 18187.8458 0.0000 0.0000 34327.1265 -149463.2303 299.7873 -183790.3568 -149367.7253 297.9175 222.3038 255.2603 555942.5545 7.4757 7.5139 PRESSURE: 902400 -192.021 -26.2991 75.0317 -26.2999 -155.409 -46.621 75.0318 -46.6214 37.936 GPRESSURE: 902400 -158.086 -20.8974 57.828 -18.1306 -115.479 -56.8611 12.6777 -121.28 59.6454 PRESSAVG: 902400 -2.53444 37.1518 -14.6403 37.1518 4.58804 -37.1985 -14.6403 -37.1985 -12.8424 GPRESSAVG: 902400 -3.40079 37.8364 -13.0236 38.6078 5.4248 -39.1066 -14.3826 -36.9074 -13.4759 TIMING: 902400 CPU: 2709.71, 0.00299354/step Wall: 2709.71, 0.00299354/step, 3.40731 hours remaining, 208.300781 MB of memory in use. ENERGY: 902400 755.7845 2151.3307 1902.4464 122.0908 -206347.1900 17631.3078 0.0000 0.0000 34251.9168 -149532.3130 299.1305 -183784.2298 -149432.1735 298.6259 -103.1649 -71.3066 557501.7024 -3.5963 -3.8173 PRESSURE: 902600 -3.14104 -44.9021 -122.893 -44.902 122.597 257.108 -122.893 257.108 -19.254 GPRESSURE: 902600 29.3442 -63.6048 -71.1824 -13.9222 121.904 226.998 -144.144 260.902 40.0374 PRESSAVG: 902600 25.94 21.4608 2.27679 21.4608 17.7061 53.2451 2.27675 53.2451 -41.1196 GPRESSAVG: 902600 26.6957 19.9919 2.36878 21.0362 16.611 53.3007 0.674564 52.0884 -40.4667 TIMING: 902600 CPU: 2710.3, 0.00299071/step Wall: 2710.3, 0.00299071/step, 3.40392 hours remaining, 208.300781 MB of memory in use. ENERGY: 902600 765.7520 2077.5878 1922.6586 95.7896 -206469.5517 17934.2284 0.0000 0.0000 34123.5964 -149549.9389 298.0099 -183673.5353 -149460.0941 298.8427 33.4007 63.7620 557618.2946 0.8422 0.9467 PRESSURE: 902800 227.122 -3.0013 76.1928 -3.00188 20.4656 122.165 76.1926 122.165 -96.1194 GPRESSURE: 902800 258.817 -52.5381 86.1956 31.6964 83.6788 196.123 35.9323 153.022 -97.7848 PRESSAVG: 902800 77.6618 -38.4846 -15.5789 -38.4846 -35.1513 60.4464 -15.5789 60.4464 -43.071 GPRESSAVG: 902800 76.5506 -36.5084 -16.6325 -37.9068 -34.1247 60.6874 -16.4952 62.7888 -43.844 TIMING: 902800 CPU: 2710.9, 0.00298182/step Wall: 2710.9, 0.00298182/step, 3.39364 hours remaining, 208.300781 MB of memory in use. ENERGY: 902800 722.1679 2092.1182 1905.5042 117.5622 -206491.5761 17927.7312 0.0000 0.0000 34106.1572 -149620.3352 297.8576 -183726.4924 -149525.1871 298.5987 50.4893 81.5702 557207.1727 -0.1868 -0.4727 PRESSURE: 903000 -133.21 -170.135 -64.936 -170.135 -143.329 142.805 -64.9344 142.806 -58.5762 GPRESSURE: 903000 -75.3816 -111.693 -107.145 -150.308 -147.617 157.721 -24.1789 152.785 -17.8519 PRESSAVG: 903000 53.3856 -35.4511 -24.0657 -35.4511 -45.2626 50.1411 -24.0657 50.1413 -31.1966 GPRESSAVG: 903000 54.8316 -36.3076 -24.3944 -36.2866 -46.4796 50.0237 -22.7465 48.0796 -31.6554 TIMING: 903000 CPU: 2711.49, 0.00296403/step Wall: 2711.49, 0.00296403/step, 3.37323 hours remaining, 208.300781 MB of memory in use. ENERGY: 903000 742.9171 2147.2052 1934.9675 112.9457 -206206.6443 17458.3582 0.0000 0.0000 34287.1244 -149523.1263 299.4380 -183810.2507 -149423.8334 298.2373 -111.7049 -80.2834 557486.4378 -7.6912 -7.7678 PRESSURE: 903200 236.799 -14.732 106.198 -14.7306 59.6969 35.3412 106.198 35.3418 25.0445 GPRESSURE: 903200 205.005 -0.635591 118.797 45.8378 57.4315 57.6823 54.2905 22.5547 143.008 PRESSAVG: 903200 29.5966 -56.3373 48.4762 -56.3373 4.82446 41.3991 48.4761 41.399 -45.6656 GPRESSAVG: 903200 28.2392 -55.8334 48.4128 -54.8015 5.59766 40.6798 48.8227 41.1015 -45.0227 TIMING: 903200 CPU: 2712.09, 0.00298332/step Wall: 2712.09, 0.00298333/step, 3.39502 hours remaining, 208.300781 MB of memory in use. ENERGY: 903200 745.4611 2107.6351 1926.1546 112.0789 -206623.5990 18072.6018 0.0000 0.0000 34177.6011 -149482.0664 298.4815 -183659.6675 -149390.9265 298.4993 107.1800 135.1480 557018.7784 -3.7482 -3.7286 PRESSURE: 903400 -7.51152 19.3854 -23.351 19.3843 142.304 1.02187 -23.35 1.02218 -108.835 GPRESSURE: 903400 43.7753 40.5962 -56.7147 -19.9575 156.876 -134.329 -1.92308 8.59015 -69.9049 PRESSAVG: 903400 33.1213 5.84307 -4.19335 5.843 50.0295 -5.71034 -4.1934 -5.71021 -109.136 GPRESSAVG: 903400 33.8826 6.51851 -4.68818 6.02973 49.9712 -5.82062 -3.4216 -3.49087 -109.524 TIMING: 903400 CPU: 2712.7, 0.00302576/step Wall: 2712.7, 0.00302576/step, 3.44314 hours remaining, 208.300781 MB of memory in use. ENERGY: 903400 721.5738 2097.7461 1909.7531 111.3674 -206146.1520 17857.6611 0.0000 0.0000 34057.0194 -149391.0311 297.4284 -183448.0505 -149296.8327 297.6790 8.6527 43.5823 559016.2711 -8.6619 -8.5569 PRESSURE: 903600 144.21 25.9312 -129.992 25.9314 246.203 47.0725 -129.993 47.073 -133.343 GPRESSURE: 903600 173.49 -20.0993 -52.9016 13.8549 294.026 46.1418 -225.418 94.4423 -108.835 PRESSAVG: 903600 30.8842 -35.1562 -1.762 -35.1562 40.8519 11.0622 -1.762 11.0623 -97.3928 GPRESSAVG: 903600 31.8859 -40.0845 -1.21593 -33.987 40.5969 10.868 -2.61056 11.706 -98.0928 TIMING: 903600 CPU: 2713.3, 0.00302622/step Wall: 2713.3, 0.00302622/step, 3.4435 hours remaining, 208.300781 MB of memory in use. ENERGY: 903600 791.3190 2074.1501 1936.3565 114.6225 -206404.3560 17896.9818 0.0000 0.0000 34107.5136 -149483.4124 297.8694 -183590.9260 -149385.9118 298.0933 85.6902 119.5602 555596.1856 -8.5522 -8.5367 PRESSURE: 903800 46.718 20.9218 109.622 20.9211 -13.1668 8.11315 109.621 8.11389 -162.467 GPRESSURE: 903800 64.2839 -32.1253 82.3815 21.0178 13.59 -1.90041 104.721 -39.047 -98.468 PRESSAVG: 903800 -5.88989 36.4515 26.7951 36.4515 72.8885 17.2764 26.7951 17.2765 -52.3663 GPRESSAVG: 903800 -6.6472 38.8532 28.3018 36.5513 71.8078 20.5502 26.6 16.1029 -50.9272 TIMING: 903800 CPU: 2713.91, 0.00303577/step Wall: 2713.91, 0.00303577/step, 3.4542 hours remaining, 208.300781 MB of memory in use. ENERGY: 903800 730.4606 2054.4595 1915.5788 117.0975 -205979.2792 17773.5996 0.0000 0.0000 33973.6129 -149414.4703 296.7000 -183388.0832 -149320.3443 298.6667 -42.9719 -6.8647 556120.9957 4.8774 4.7445 PRESSURE: 904000 199.575 110.202 28.5242 110.202 129.596 118.106 28.5242 118.107 219.36 GPRESSURE: 904000 173.043 58.8615 19.0284 124.096 191.781 96.05 117.682 141.353 277.441 PRESSAVG: 904000 0.730359 6.48779 -34.9709 6.48783 -19.5294 -16.559 -34.971 -16.559 2.74046 GPRESSAVG: 904000 -0.376059 9.03955 -36.2794 3.07992 -17.9323 -19.5621 -32.5564 -15.7595 2.44456 TIMING: 904000 CPU: 2714.51, 0.00302422/step Wall: 2714.51, 0.00302422/step, 3.44089 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: 904000 711.0642 2156.4702 1897.5864 122.4805 -206366.2960 17886.9355 0.0000 0.0000 34181.3985 -149410.3608 298.5147 -183591.7593 -149314.4818 299.0618 182.8437 214.0883 555540.0763 -5.3529 -5.2879 PRESSURE: 904200 -96.167 -92.7389 32.8958 -92.7384 93.6773 80.8152 32.8953 80.8162 -196.816 GPRESSURE: 904200 -4.79711 -37.6552 -5.98086 -61.1461 74.1906 59.9341 3.14075 109.955 -176.446 PRESSAVG: 904200 -84.0068 27.9503 -20.1182 27.9504 13.1345 23.6969 -20.1182 23.6969 57.2681 GPRESSAVG: 904200 -82.8887 25.208 -18.786 30.0832 11.0605 25.1388 -22.605 23.1638 57.9641 TIMING: 904200 CPU: 2715.12, 0.00303288/step Wall: 2715.12, 0.00303288/step, 3.45057 hours remaining, 208.300781 MB of memory in use. ENERGY: 904200 731.7913 2088.7682 1925.5602 99.6819 -206337.2699 17789.4605 0.0000 0.0000 34183.5403 -149518.4676 298.5334 -183702.0078 -149426.3411 298.3784 -66.4353 -35.6840 556882.8648 -4.5347 -4.6214 LDB: ============= START OF LOAD BALANCING ============== 2718.64 LDB: ============== END OF LOAD BALANCING =============== 2718.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2718.64 LDB: ============= START OF LOAD BALANCING ============== 2718.94 LDB: Largest compute 4800 load 0.026935 is 22.9% of average load 0.117804 LDB: Average compute 0.001733 is 1.5% of average load 0.117804 LDB: TIME 2718.94 LOAD: AVG 0.117804 MAX 0.205183 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.629 MB LDB: TIME 2718.94 LOAD: AVG 0.117804 MAX 0.205183 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.836 MB LDB: TIME 2718.94 LOAD: AVG 0.117804 MAX 0.205183 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.836 MB LDB: ============== END OF LOAD BALANCING =============== 2718.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2718.95 PRESSURE: 904400 -18.8282 -159.914 124.519 -159.913 86.6915 54.9036 124.519 54.9042 4.37461 GPRESSURE: 904400 45.4421 -214.849 101.342 -125.753 91.6285 91.3403 102.576 76.7121 29.2196 PRESSAVG: 904400 70.1656 28.3527 14.1956 28.3527 -53.0692 18.3762 14.1957 18.3762 -66.6575 GPRESSAVG: 904400 69.9695 29.5077 13.8764 28.5359 -51.4698 18.5047 13.9897 19.3795 -67.9228 TIMING: 904400 CPU: 2715.73, 0.00306301/step Wall: 2715.73, 0.00306301/step, 3.48469 hours remaining, 207.457031 MB of memory in use. ENERGY: 904400 739.5919 2132.0078 1922.6705 110.9532 -206589.1232 17842.8813 0.0000 0.0000 34422.3096 -149418.7090 300.6186 -183841.0186 -149321.9150 298.9129 24.0793 55.4301 557454.8668 -16.5204 -16.4744 PRESSURE: 904600 -136.069 27.8232 -20.4048 27.824 -145.425 -79.2001 -20.4046 -79.2005 28.9519 GPRESSURE: 904600 -121.324 -0.680246 -6.86398 70.0846 -91.8778 16.9894 -58.6754 -103.552 73.0334 PRESSAVG: 904600 9.6961 -27.0379 27.6645 -27.038 76.939 36.5463 27.6645 36.5461 -53.1386 GPRESSAVG: 904600 9.75432 -25.9303 27.7299 -28.2509 76.6671 37.1855 28.5777 32.1375 -52.0823 TIMING: 904600 CPU: 2716.33, 0.00301776/step Wall: 2716.33, 0.00301776/step, 3.43304 hours remaining, 207.457031 MB of memory in use. ENERGY: 904600 743.8358 2146.3224 1904.4956 121.2907 -206604.7519 17843.5021 0.0000 0.0000 34254.5550 -149590.7504 299.1535 -183845.3054 -149496.6419 298.7886 -84.1806 -46.7229 559100.7564 11.1655 11.4464 PRESSURE: 904800 -207.101 -10.9627 -38.9923 -10.9631 -157.38 103.791 -38.9917 103.791 -13.5892 GPRESSURE: 904800 -116.591 18.084 -42.3082 -63.4687 -153.845 136.533 -102.153 55.2996 -11.5513 PRESSAVG: 904800 23.1736 -17.6832 -5.51588 -17.6831 11.4206 5.8259 -5.51579 5.82597 -77.5307 GPRESSAVG: 904800 23.5285 -19.8654 -6.95818 -17.4536 10.1758 4.35154 -6.59788 8.51138 -76.8479 TIMING: 904800 CPU: 2716.94, 0.00300856/step Wall: 2716.94, 0.00300856/step, 3.4224 hours remaining, 207.457031 MB of memory in use. ENERGY: 904800 744.2368 2116.8620 1926.6961 110.0413 -206428.6573 17904.7583 0.0000 0.0000 34031.2535 -149594.8094 297.2034 -183626.0628 -149499.7924 297.8080 -126.0235 -93.9956 558664.7760 -14.3121 -14.3812 PRESSURE: 905000 5.17389 -4.92259 51.0047 -4.92179 -8.45554 55.7266 51.0049 55.7253 11.1389 GPRESSURE: 905000 54.5651 29.6342 -15.1983 -5.15619 28.5257 -8.22932 124.827 32.415 22.96 PRESSAVG: 905000 -6.1373 32.6544 -52.0517 32.6544 10.8431 25.2072 -52.0517 25.2073 -29.4127 GPRESSAVG: 905000 -5.75134 32.6208 -53.0126 33.2361 10.4126 26.5102 -50.8359 24.0002 -29.4605 TIMING: 905000 CPU: 2717.54, 0.00299568/step Wall: 2717.54, 0.00299568/step, 3.40758 hours remaining, 207.457031 MB of memory in use. ENERGY: 905000 737.1706 2131.5367 1915.3853 132.6550 -206453.8559 17899.4608 0.0000 0.0000 34320.1668 -149317.4807 299.7266 -183637.6475 -149221.5641 299.1996 2.6191 35.3503 557283.6944 -8.2357 -8.2664 PRESSURE: 905200 48.8202 25.7245 -128.581 25.7235 -184.232 -0.858416 -128.581 -0.857871 47.3097 GPRESSURE: 905200 38.5532 52.0093 -106.069 -40.2684 -88.8881 -24.6244 -118.262 -0.50277 63.8578 PRESSAVG: 905200 -17.6985 56.5826 -51.6461 56.5828 -3.37985 -14.0944 -51.6461 -14.0945 48.49 GPRESSAVG: 905200 -18.0397 58.3005 -49.5927 55.934 -2.86886 -14.0389 -53.4275 -14.9758 48.3464 TIMING: 905200 CPU: 2718.13, 0.00298282/step Wall: 2718.13, 0.00298282/step, 3.3928 hours remaining, 207.457031 MB of memory in use. ENERGY: 905200 757.3486 2129.6368 1912.3079 121.1999 -206047.2902 17879.6604 0.0000 0.0000 34112.7406 -149134.3959 297.9150 -183247.1366 -149037.3576 298.9192 -29.3674 4.5077 557284.6164 9.1372 9.1460 PRESSURE: 905400 276.752 53.8162 -30.1218 53.8167 54.1341 99.9305 -30.1206 99.9327 64.7168 GPRESSURE: 905400 326.742 155.501 -117.368 23.2652 69.5701 120.864 37.908 35.0243 93.6887 PRESSAVG: 905400 -4.08582 4.19343 -27.5551 4.19337 43.7766 35.9815 -27.5551 35.9815 -80.4321 GPRESSAVG: 905400 -3.17348 3.04783 -27.9257 5.39248 42.6744 33.6648 -25.3943 38.1888 -80.3064 TIMING: 905400 CPU: 2718.72, 0.00296174/step Wall: 2718.72, 0.00296174/step, 3.36865 hours remaining, 207.457031 MB of memory in use. ENERGY: 905400 744.8775 2089.4966 1932.6762 118.1869 -206251.5937 18092.9444 0.0000 0.0000 34180.6754 -149092.7367 298.5083 -183273.4121 -148997.9178 299.4881 131.8676 163.3337 556872.9391 -13.5805 -13.6018 PRESSURE: 905600 27.1539 36.5717 115.275 36.5718 50.3176 121.032 115.275 121.03 -222.654 GPRESSURE: 905600 41.6379 63.6113 62.655 96.8333 88.2106 124.369 82.4737 101.437 -184.321 PRESSAVG: 905600 1.82756 30.7123 -8.3962 30.7123 9.48678 17.3681 -8.39629 17.3679 -24.656 GPRESSAVG: 905600 1.97246 31.82 -8.42862 29.5936 9.63989 20.3282 -10.4601 15.835 -25.0604 TIMING: 905600 CPU: 2719.32, 0.00298733/step Wall: 2719.32, 0.00298733/step, 3.39759 hours remaining, 207.457031 MB of memory in use. ENERGY: 905600 747.3605 2089.5946 1928.7553 112.6436 -206002.3867 17679.3897 0.0000 0.0000 34465.0435 -148979.5995 300.9918 -183444.6430 -148882.8983 299.4754 -48.3942 -18.1576 557948.9543 -4.4472 -4.4827 PRESSURE: 905800 -191.085 -16.1633 224.348 -16.1632 -238.467 -49.9165 224.348 -49.9164 -325.434 GPRESSURE: 905800 -171.981 35.3231 230.437 -10.9097 -176.511 -58.0946 219.169 -65.8135 -305.017 PRESSAVG: 905800 -18.7024 38.2256 15.2609 38.2256 11.7908 52.4819 15.2609 52.4819 -51.4637 GPRESSAVG: 905800 -18.7265 36.9183 14.9312 35.199 11.4273 52.2212 15.9937 53.2036 -50.5933 TIMING: 905800 CPU: 2719.92, 0.00299386/step Wall: 2719.92, 0.00299386/step, 3.40485 hours remaining, 207.457031 MB of memory in use. ENERGY: 905800 759.6182 2131.2771 1928.6543 116.6806 -205619.4298 17527.8831 0.0000 0.0000 34160.3560 -148994.9604 298.3309 -183155.3163 -148898.8013 300.2431 -251.6621 -217.8364 559215.7859 -19.4584 -19.2975 PRESSURE: 906000 140.181 -87.8103 -145.775 -87.8112 60.7356 -25.7415 -145.776 -25.7392 63.5597 GPRESSURE: 906000 182.146 -130.481 -194.754 -65.3174 98.3564 12.3302 -168.216 -12.9751 75.556 PRESSAVG: 906000 -11.6612 37.8226 -44.9667 37.8226 34.5647 -28.0775 -44.9667 -28.0775 -6.58242 GPRESSAVG: 906000 -13.9669 38.7222 -44.4541 42.5899 36.1133 -28.5346 -43.9456 -28.7586 -5.45055 TIMING: 906000 CPU: 2720.52, 0.00301284/step Wall: 2720.52, 0.00301284/step, 3.42627 hours remaining, 207.457031 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: 906000 744.7428 2054.8519 1937.2955 121.6473 -206344.7200 18014.4011 0.0000 0.0000 34510.4650 -148961.3165 301.3885 -183471.7815 -148866.1374 300.0244 88.1588 118.6862 558387.9363 5.4404 5.5653 PRESSURE: 906200 -143.959 6.6475 -12.6642 6.64669 -225.979 -22.6259 -12.6647 -22.6258 -206.827 GPRESSURE: 906200 -136.866 7.57775 -47.977 55.7861 -201.327 18.5488 -60.0909 -8.27803 -153.415 PRESSAVG: 906200 20.1398 -23.8059 -7.20175 -23.8059 2.32973 12.1417 -7.2017 12.1417 -53.0233 GPRESSAVG: 906200 21.0374 -24.302 -7.30321 -25.5541 1.83758 11.8256 -9.86572 11.9676 -53.2174 TIMING: 906200 CPU: 2721.13, 0.00301166/step Wall: 2721.13, 0.00301166/step, 3.42476 hours remaining, 207.457031 MB of memory in use. ENERGY: 906200 747.9802 2068.9192 1911.6810 108.5614 -206188.8082 17739.5978 0.0000 0.0000 34378.6301 -149233.4385 300.2371 -183612.0686 -149141.8243 299.0623 -192.2548 -163.8692 559562.2821 -10.1846 -10.1141 PRESSURE: 906400 -149.593 -45.9368 49.5577 -45.9371 181.81 19.1356 49.5578 19.134 -360.324 GPRESSURE: 906400 -112.333 -53.0525 7.59734 -49.0799 224.402 1.52309 72.879 112.423 -347.879 PRESSAVG: 906400 2.98955 6.61541 -2.931 6.61542 77.5793 37.857 -2.93099 37.857 -71.0449 GPRESSAVG: 906400 3.86944 6.79062 -2.93695 7.12573 78.0266 35.5093 -1.7105 39.9601 -72.2589 TIMING: 906400 CPU: 2721.73, 0.00302925/step Wall: 2721.73, 0.00302926/step, 3.4446 hours remaining, 207.457031 MB of memory in use. ENERGY: 906400 736.2902 2115.0223 1962.3110 117.9293 -206078.9523 17628.6595 0.0000 0.0000 34466.4275 -149052.3124 301.0039 -183518.7400 -148953.2800 299.4941 -109.3690 -78.6033 558386.9919 3.1747 3.2124 PRESSURE: 906600 -54.9383 68.1984 132.457 68.2004 -33.158 -80.7622 132.456 -80.7628 -188.364 GPRESSURE: 906600 -61.8837 -6.5899 90.4635 62.0249 -5.41618 -37.3907 132.628 -57.2041 -121.042 PRESSAVG: 906600 -28.4412 2.27984 40.611 2.27986 130.763 1.97967 40.611 1.9797 -126.735 GPRESSAVG: 906600 -28.3032 3.24039 40.0643 1.49836 130.497 3.9982 40.9886 -0.403808 -126.93 TIMING: 906600 CPU: 2722.34, 0.00304637/step Wall: 2722.34, 0.00304637/step, 3.46389 hours remaining, 207.457031 MB of memory in use. ENERGY: 906600 744.7803 2032.7480 1926.4727 118.5553 -205787.2556 17607.0778 0.0000 0.0000 34334.2944 -149023.3271 299.8499 -183357.6215 -148929.5284 299.5963 -92.1535 -62.7805 558610.4913 -8.1379 -8.2454 PRESSURE: 906800 -124.341 -205.035 -62.2483 -205.034 -168.547 -42.241 -62.2483 -42.2423 -39.6368 GPRESSURE: 906800 -97.6398 -124.052 -43.1734 -194.472 -156.025 -98.1088 -45.6384 -10.7207 11.0203 PRESSAVG: 906800 -34.2725 -12.4262 -25.2691 -12.4263 72.3475 -29.2814 -25.2691 -29.2814 -17.1833 GPRESSAVG: 906800 -35.4895 -11.9215 -23.1114 -11.1456 73.0884 -28.5661 -27.5681 -28.0311 -16.94 TIMING: 906800 CPU: 2722.95, 0.00305703/step Wall: 2722.95, 0.00305703/step, 3.47584 hours remaining, 207.457031 MB of memory in use. ENERGY: 906800 723.1227 2140.8683 1943.4423 120.9680 -205414.7098 17492.7989 0.0000 0.0000 34141.1683 -148852.3413 298.1633 -182993.5096 -148748.8626 300.3015 -110.8415 -80.8814 557889.2123 6.9639 6.8863 PRESSURE: 907000 121.77 128.763 -80.2945 128.763 167.059 19.4572 -80.295 19.4572 73.2069 GPRESSURE: 907000 199.104 102.356 -149.024 101.578 184.638 28.1157 -31.7104 -32.781 63.1365 PRESSAVG: 907000 10.7472 -25.3307 23.2088 -25.3307 36.5182 0.547972 23.2088 0.547948 -71.2747 GPRESSAVG: 907000 11.0192 -27.0938 21.6738 -26.1445 36.3341 -0.853272 25.5113 -0.831067 -71.2612 TIMING: 907000 CPU: 2723.56, 0.00305395/step Wall: 2723.56, 0.00305395/step, 3.47217 hours remaining, 207.457031 MB of memory in use. ENERGY: 907000 761.3009 2099.9054 1910.8217 109.6972 -206183.0808 17948.1886 0.0000 0.0000 34459.7730 -148893.3939 300.9458 -183353.1669 -148797.7008 300.3302 120.6785 148.9598 556767.5335 -8.0031 -7.9693 PRESSURE: 907200 -166.338 -29.7526 30.9675 -29.7524 -390.931 -57.0591 30.9688 -57.0584 -192.36 GPRESSURE: 907200 -155.251 4.01582 53.2381 -21.7806 -373.649 -62.6944 35.619 -55.1363 -134.031 PRESSAVG: 907200 4.50172 51.6535 -55.4677 51.6535 -43.0269 28.3689 -55.4676 28.3688 29.038 GPRESSAVG: 907200 4.94452 52.0956 -56.0228 50.7167 -41.8793 29.8908 -53.5204 27.9163 27.6868 TIMING: 907200 CPU: 2724.17, 0.00304521/step Wall: 2724.17, 0.00304521/step, 3.46206 hours remaining, 207.457031 MB of memory in use. ENERGY: 907200 750.0166 2101.4330 1910.9966 114.4995 -205593.4492 17509.3309 0.0000 0.0000 34347.0456 -148860.1269 299.9613 -183207.1725 -148755.7028 300.9181 -249.8764 -220.9769 558364.3536 -3.1624 -3.0827 PRESSURE: 907400 -24.213 114.831 25.3889 114.831 -208.408 -7.85872 25.3889 -7.85734 -110.822 GPRESSURE: 907400 14.5189 88.591 -8.18471 142.859 -195.653 -13.7409 22.4599 -13.8008 -66.7307 PRESSAVG: 907400 1.93184 -8.31947 61.0682 -8.31952 96.5862 45.5523 61.0682 45.5524 -37.619 GPRESSAVG: 907400 3.34673 -9.23371 61.538 -7.44749 94.7463 45.9509 60.7026 44.1762 -36.774 TIMING: 907400 CPU: 2724.79, 0.00307849/step Wall: 2724.79, 0.00307849/step, 3.49973 hours remaining, 207.457031 MB of memory in use. ENERGY: 907400 728.4009 2068.0732 1904.4279 108.8624 -206033.9220 17705.4130 0.0000 0.0000 34425.7086 -149093.0358 300.6483 -183518.7445 -148997.9005 300.6143 -114.4809 -82.6218 557104.7765 20.2997 20.4397 PRESSURE: 907600 -51.6947 -55.0756 -1.20033 -55.0761 -39.8404 -79.8674 -1.20053 -79.8666 16.9121 GPRESSURE: 907600 30.6 -30.1774 -7.79051 -98.7028 -29.9306 -39.0794 -24.0408 -11.8328 14.3368 PRESSAVG: 907600 27.6878 -63.0074 4.03315 -63.0074 -63.806 6.45633 4.03301 6.45627 25.8133 GPRESSAVG: 907600 26.7978 -61.0721 4.39558 -65.9148 -64.01 6.53721 2.73456 6.15381 26.5513 TIMING: 907600 CPU: 2725.39, 0.00303018/step Wall: 2725.39, 0.00303018/step, 3.44464 hours remaining, 207.457031 MB of memory in use. ENERGY: 907600 754.6475 2062.9656 1909.4362 119.4509 -206309.1530 17754.5474 0.0000 0.0000 34481.4304 -149226.6749 301.1349 -183708.1054 -149120.5076 299.6779 -24.8743 5.0021 556595.5915 -3.4350 -3.5536 PRESSURE: 907800 193.548 -38.2461 132.021 -38.2452 51.6424 216.646 132.023 216.647 232.859 GPRESSURE: 907800 263.959 -83.552 24.0292 -4.77404 42.9217 192.703 88.6668 206.526 265.977 PRESSAVG: 907800 40.9837 -0.786271 11.1336 -0.78625 -10.7589 44.3424 11.1335 44.3423 -32.1598 GPRESSAVG: 907800 40.3172 -2.68187 11.0277 1.59031 -9.62293 44.7831 10.9409 47.0426 -32.5183 TIMING: 907800 CPU: 2725.99, 0.00298139/step Wall: 2725.99, 0.00298139/step, 3.38902 hours remaining, 207.457031 MB of memory in use. ENERGY: 907800 755.7950 2071.6810 1941.7962 126.5052 -206194.3899 17905.2988 0.0000 0.0000 34166.6490 -149226.6648 298.3858 -183393.3138 -149129.5034 299.4468 159.3496 190.9524 557261.4332 -0.6450 -0.6080 PRESSURE: 908000 21.3558 -83.3944 177.668 -83.3937 -209.873 157.366 177.669 157.366 -54.1423 GPRESSURE: 908000 64.8354 -76.7168 81.4194 -67.0231 -129.583 179.976 264.758 101.738 -105.352 PRESSAVG: 908000 111.763 18.5438 -1.72675 18.5437 -77.7057 21.9357 -1.72681 21.9356 -33.3928 GPRESSAVG: 908000 111.215 20.0329 -0.417584 17.5025 -78.8402 21.0374 -4.13373 22.0021 -31.8876 TIMING: 908000 CPU: 2726.59, 0.00298914/step Wall: 2726.59, 0.00298914/step, 3.39766 hours remaining, 207.457031 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: 908000 756.1276 2114.1317 1918.3726 117.4481 -206083.8535 17759.4170 0.0000 0.0000 34262.6523 -149155.7043 299.2243 -183418.3566 -149059.2528 299.1762 -80.8865 -56.6997 557954.8312 0.2214 0.1625 PRESSURE: 908200 -133.247 -115.277 -98.0621 -115.278 -281.946 -11.9572 -98.0626 -11.9574 -22.9734 GPRESSURE: 908200 -121.568 -75.3993 -104.152 -175.179 -182.141 -72.0432 -62.9135 49.7691 -47.5559 PRESSAVG: 908200 70.9085 -42.9079 -27.9063 -42.908 -27.0302 20.5238 -27.9064 20.5236 -3.23835 GPRESSAVG: 908200 70.4369 -43.0722 -27.8267 -42.3634 -26.2776 21.123 -27.0689 17.9883 -3.53511 TIMING: 908200 CPU: 2727.19, 0.00301635/step Wall: 2727.19, 0.00301635/step, 3.42842 hours remaining, 207.457031 MB of memory in use. ENERGY: 908200 746.5394 2097.5328 1927.7848 111.3121 -205741.7260 17579.1709 0.0000 0.0000 34147.7790 -149131.6070 298.2210 -183279.3860 -149035.3861 299.2484 -146.0552 -117.0885 558738.0284 13.5466 13.5414 LDB: ============= START OF LOAD BALANCING ============== 2730.71 LDB: ============== END OF LOAD BALANCING =============== 2730.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2730.71 LDB: ============= START OF LOAD BALANCING ============== 2731.02 LDB: Largest compute 4800 load 0.028166 is 23.9% of average load 0.117845 LDB: Average compute 0.001739 is 1.5% of average load 0.117845 LDB: TIME 2731.02 LOAD: AVG 0.117845 MAX 0.207767 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.398 MB LDB: TIME 2731.02 LOAD: AVG 0.117845 MAX 0.207767 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.402 MB LDB: TIME 2731.02 LOAD: AVG 0.117845 MAX 0.207767 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.402 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2731.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2731.02 PRESSURE: 908400 9.78182 1.8732 49.2341 1.87275 -73.7747 18.6 49.2344 18.5986 -9.95425 GPRESSURE: 908400 62.9358 22.9856 2.55565 34.7495 -26.8592 -4.06361 144.165 -1.62226 -11.2968 PRESSAVG: 908400 26.0559 6.65274 46.024 6.65259 -11.179 12.8491 46.024 12.849 -46.8308 GPRESSAVG: 908400 26.5556 6.00742 42.2043 7.16725 -11.8702 11.13 47.3966 14.5127 -47.5025 TIMING: 908400 CPU: 2727.81, 0.00308131/step Wall: 2727.81, 0.00308131/step, 3.50207 hours remaining, 206.117188 MB of memory in use. ENERGY: 908400 775.5552 2098.6769 1925.5323 112.5224 -206190.9318 17933.4707 0.0000 0.0000 34313.6043 -149031.5699 299.6692 -183345.1742 -148932.4448 299.4116 -24.6490 8.2599 557977.9843 -10.6513 -10.9390 PRESSURE: 908600 69.7526 87.4002 50.8985 87.4024 42.7659 7.17605 50.8988 7.17785 71.949 GPRESSURE: 908600 106.274 128.21 24.9661 118.122 33.635 89.2436 22.0735 -113.811 141.442 PRESSAVG: 908600 12.1455 32.3582 26.152 32.3583 -22.2565 8.60201 26.1521 8.60207 18.1942 GPRESSAVG: 908600 12.6487 34.6805 28.0187 30.0338 -22.1862 9.7715 25.5404 8.77976 17.6204 TIMING: 908600 CPU: 2728.41, 0.00303264/step Wall: 2728.41, 0.00303264/step, 3.4466 hours remaining, 206.117188 MB of memory in use. ENERGY: 908600 746.4212 2083.6759 1948.5321 107.3338 -206360.4482 17846.2054 0.0000 0.0000 34434.9943 -149193.2856 300.7294 -183628.2799 -149099.0398 300.3867 61.4892 93.7837 556463.9949 2.6944 2.6943 PRESSURE: 908800 110.485 99.3779 -226.646 99.3786 36.6495 -22.3322 -226.644 -22.3332 -219.154 GPRESSURE: 908800 87.6386 47.0258 -260.455 167.937 78.4608 68.7444 -132.492 -9.40332 -129.212 PRESSAVG: 908800 -7.44209 26.9982 -26.5082 26.9982 1.75643 -25.2822 -26.5082 -25.2823 -44.9485 GPRESSAVG: 908800 -7.72782 25.4816 -26.8906 28.9618 2.60141 -24.0875 -27.3719 -24.1685 -45.0835 TIMING: 908800 CPU: 2729.02, 0.00301741/step Wall: 2729.02, 0.00301741/step, 3.42912 hours remaining, 206.117188 MB of memory in use. ENERGY: 908800 736.6203 2016.6523 1942.8595 109.7480 -206293.8032 17667.6359 0.0000 0.0000 34619.7977 -149200.4894 302.3433 -183820.2871 -149095.5189 299.4093 -24.0067 12.2958 556432.1723 -16.8780 -16.7366 PRESSURE: 909000 -131.027 218.834 -98.7164 218.834 -0.856641 -191.72 -98.7162 -191.721 -211.296 GPRESSURE: 909000 -47.2325 80.9656 -27.288 375.73 6.58196 -189.249 -109.686 -142.566 -202.467 PRESSAVG: 909000 33.0703 27.9134 -50.1883 27.9134 -25.6437 -4.06525 -50.1883 -4.06522 -11.4804 GPRESSAVG: 909000 32.9958 28.5876 -49.215 27.2005 -26.467 -4.13766 -48.8543 -5.13798 -10.8347 TIMING: 909000 CPU: 2729.62, 0.00299907/step Wall: 2729.62, 0.00299907/step, 3.40811 hours remaining, 206.117188 MB of memory in use. ENERGY: 909000 776.9870 2059.1867 1961.7768 112.4377 -206429.3353 17838.4846 0.0000 0.0000 34520.4968 -149159.9657 301.4761 -183680.4625 -149062.6841 299.6609 -114.3931 -81.0392 558428.1619 -1.3513 -1.4353 PRESSURE: 909200 147.323 20.1905 -188.372 20.191 79.7604 -109.565 -188.372 -109.565 -5.78929 GPRESSURE: 909200 195.909 -55.9135 -199.324 148.5 102.216 -61.4232 -200.795 -89.8177 22.1352 PRESSAVG: 909200 33.5354 18.9914 -13.3846 18.9914 16.0104 16.6521 -13.3847 16.6521 -55.3112 GPRESSAVG: 909200 33.3025 18.7556 -13.4842 20.2884 16.2088 16.389 -15.0687 16.0777 -55.2205 TIMING: 909200 CPU: 2730.22, 0.00299402/step Wall: 2730.22, 0.00299402/step, 3.4022 hours remaining, 206.117188 MB of memory in use. ENERGY: 909200 786.4770 2124.5638 1935.5233 111.0432 -206439.3522 17978.5109 0.0000 0.0000 34486.1193 -149017.1147 301.1759 -183503.2341 -148921.5913 299.7805 73.7648 106.7535 557979.7362 -1.9218 -1.9031 PRESSURE: 909400 -113.626 -55.1328 -25.2142 -55.1327 -311.566 92.2875 -25.215 92.2873 -108.063 GPRESSURE: 909400 -72.7336 -6.3461 -83.1843 -37.1645 -276.701 93.2836 -24.6938 99.7516 -74.1321 PRESSAVG: 909400 28.8481 42.7022 20.0084 42.7023 1.70177 13.7721 20.0084 13.7723 -31.8734 GPRESSAVG: 909400 28.5353 43.3428 18.701 43.4244 2.25333 11.2191 20.8691 13.8174 -32.3543 TIMING: 909400 CPU: 2730.81, 0.00298197/step Wall: 2730.81, 0.00298197/step, 3.38835 hours remaining, 206.117188 MB of memory in use. ENERGY: 909400 773.1010 2093.7183 1966.5618 116.6861 -205819.7886 17418.1982 0.0000 0.0000 34306.6675 -149144.8556 299.6087 -183451.5231 -149047.7560 300.2952 -177.7515 -141.1889 558779.7514 -0.4412 -0.5219 PRESSURE: 909600 -171.435 -8.13109 -195.88 -8.13101 -177.401 147.945 -195.881 147.944 51.088 GPRESSURE: 909600 -206.046 -86.0444 -197.776 40.0293 -85.7915 200.456 -189.555 27.493 88.4817 PRESSAVG: 909600 -14.5371 50.7701 -8.83183 50.7701 54.8488 49.2564 -8.83189 49.2565 -31.9533 GPRESSAVG: 909600 -14.1049 48.8231 -8.23942 50.6304 53.8107 50.4832 -9.54491 48.4978 -31.5116 TIMING: 909600 CPU: 2731.41, 0.00297697/step Wall: 2731.41, 0.00297697/step, 3.3825 hours remaining, 206.117188 MB of memory in use. ENERGY: 909600 786.2554 2096.4966 1936.9229 117.3627 -205810.3529 17696.5090 0.0000 0.0000 34286.5336 -148890.2727 299.4328 -183176.8063 -148796.0541 299.3965 -99.2494 -67.7853 557943.0312 2.7861 2.7314 PRESSURE: 909800 -119.571 -31.342 -81.6252 -31.3432 -249.028 59.2479 -81.6252 59.2479 -48.3167 GPRESSURE: 909800 -27.2058 -80.2163 -104.897 -18.2274 -224.332 19.3941 10.0096 72.784 -62.0803 PRESSAVG: 909800 -52.916 -31.3257 14.4564 -31.3257 68.3485 1.79828 14.4565 1.79835 -2.29308 GPRESSAVG: 909800 -52.3122 -32.1941 13.9378 -31.7174 67.7364 2.56303 15.8357 1.99548 -2.10468 TIMING: 909800 CPU: 2732.01, 0.00299041/step Wall: 2732.01, 0.00299041/step, 3.39761 hours remaining, 206.117188 MB of memory in use. ENERGY: 909800 762.7278 2147.9974 1961.0868 103.3516 -206040.6768 17672.8016 0.0000 0.0000 34442.2859 -148950.4257 300.7930 -183392.7117 -148852.4819 300.7241 -138.9717 -104.5393 557375.6369 4.3798 4.4398 PRESSURE: 910000 128.359 204.85 22.4022 204.851 41.8402 -87.5546 22.403 -87.5558 -316.215 GPRESSURE: 910000 153.875 95.4034 78.6577 215.934 66.2845 -150.407 47.8669 -69.6363 -265.019 PRESSAVG: 910000 -0.0277359 33.1324 9.81097 33.1325 55.7075 58.386 9.81089 58.3859 -17.3303 GPRESSAVG: 910000 -0.745234 34.4979 12.0881 33.0116 55.1472 56.4923 8.74576 57.5877 -16.3521 TIMING: 910000 CPU: 2732.61, 0.00300343/step Wall: 2732.61, 0.00300343/step, 3.41223 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: 910000 774.0542 2071.3549 1932.1463 113.5275 -206198.0493 17901.3625 0.0000 0.0000 34296.9320 -149108.6719 299.5236 -183405.6039 -149011.3195 299.5937 -48.6719 -14.9531 557933.3940 12.7832 12.6833 PRESSURE: 910200 -83.9957 -33.2773 7.24674 -33.2774 -90.7039 41.2449 7.24745 41.2453 -8.13976 GPRESSURE: 910200 -51.2525 -23.3448 -12.902 -69.2129 -47.3644 5.79398 44.6149 44.5026 11.57 PRESSAVG: 910200 -10.168 -15.0511 20.6858 -15.051 17.0097 56.8337 20.6859 56.8338 -18.3504 GPRESSAVG: 910200 -9.86933 -15.0244 18.4037 -15.3638 16.7016 57.7388 20.8835 57.2478 -18.409 TIMING: 910200 CPU: 2733.2, 0.002975/step Wall: 2733.2, 0.002975/step, 3.37976 hours remaining, 206.117188 MB of memory in use. ENERGY: 910200 711.7079 2126.9558 1945.8207 111.6745 -206146.8448 17629.9669 0.0000 0.0000 34328.9460 -149291.7732 299.8032 -183620.7192 -149201.4961 299.5793 -60.9465 -29.0156 557526.6122 -3.8362 -3.8589 PRESSURE: 910400 63.8263 -54.195 108.137 -54.1957 -50.364 49.7364 108.139 49.7375 117.879 GPRESSURE: 910400 91.7214 -53.0088 120.379 -56.9254 -41.0478 4.68132 65.3793 52.5537 179.871 PRESSAVG: 910400 69.5037 -4.23375 -3.26732 -4.23376 -45.7907 20.6007 -3.26715 20.6008 3.19422 GPRESSAVG: 910400 67.5095 -3.54698 -5.30064 -3.67357 -43.8467 21.8323 -2.32852 21.3928 2.86654 TIMING: 910400 CPU: 2733.8, 0.00299159/step Wall: 2733.8, 0.00299159/step, 3.39845 hours remaining, 206.117188 MB of memory in use. ENERGY: 910400 756.6838 2097.3174 1947.0967 113.9145 -206459.9705 17877.0100 0.0000 0.0000 34448.9798 -149218.9683 300.8515 -183667.9480 -149116.1897 299.9063 43.7803 76.8484 556380.3047 8.9691 8.8431 PRESSURE: 910600 -208.409 -31.8548 16.233 -31.8541 -406.161 -83.4582 16.2322 -83.4581 27.6776 GPRESSURE: 910600 -117.024 -120.586 -34.525 -14.9693 -403.507 -129.213 -31.1262 -102.936 30.8907 PRESSAVG: 910600 -9.97807 22.6622 44.6229 22.6623 -49.5292 25.445 44.623 25.4451 57.6979 GPRESSAVG: 910600 -8.80609 23.1299 45.823 21.5108 -49.2602 23.5029 43.246 24.7072 56.5708 TIMING: 910600 CPU: 2734.4, 0.00299751/step Wall: 2734.4, 0.00299751/step, 3.40501 hours remaining, 206.117188 MB of memory in use. ENERGY: 910600 736.2139 2055.5778 1933.9693 110.9823 -205663.1067 17327.2152 0.0000 0.0000 34276.9111 -149222.2372 299.3488 -183499.1483 -149125.4177 300.0137 -195.6306 -163.2134 556221.9344 -0.6031 -0.4985 PRESSURE: 910800 126.32 -209.302 14.3176 -209.302 -136.336 -127.849 14.3184 -127.849 -114.377 GPRESSURE: 910800 114.357 -273.242 -8.16581 -93.5497 -80.5679 -113.386 12.9997 -169.955 -70.9702 PRESSAVG: 910800 42.6469 -23.1656 44.0392 -23.1655 -94.1614 51.0504 44.0391 51.0505 23.1948 GPRESSAVG: 910800 41.3033 -25.5764 44.4061 -23.1763 -94.385 51.7192 45.7529 51.2903 24.7424 TIMING: 910800 CPU: 2735, 0.00300255/step Wall: 2735, 0.00300255/step, 3.41056 hours remaining, 206.117188 MB of memory in use. ENERGY: 910800 733.1573 2058.0526 1940.1318 117.8579 -206092.9943 17682.3397 0.0000 0.0000 34273.5371 -149287.9179 299.3193 -183561.4550 -149190.0954 299.9130 -41.4641 -12.3935 557214.4711 -9.4399 -9.4465 PRESSURE: 911000 64.0595 19.6196 -96.918 19.6194 -182.076 -41.8356 -96.9179 -41.8345 -25.4367 GPRESSURE: 911000 59.4023 -50.6909 -84.9296 -20.508 -125.297 -45.4378 -124.421 -10.9722 18.5284 PRESSAVG: 911000 -12.4558 -18.243 6.8754 -18.2429 76.5628 5.10113 6.87538 5.10119 -21.9233 GPRESSAVG: 911000 -12.2136 -18.377 7.52171 -17.9171 75.9841 4.79835 6.82621 6.90235 -21.2884 TIMING: 911000 CPU: 2735.61, 0.00303317/step Wall: 2735.61, 0.00303317/step, 3.44518 hours remaining, 206.117188 MB of memory in use. ENERGY: 911000 772.4206 2061.7284 1912.7790 107.3157 -206115.2284 17851.0181 0.0000 0.0000 34235.9955 -149173.9711 298.9915 -183409.9666 -149077.1150 299.4948 -47.8178 -15.7887 557041.8415 14.0612 14.1607 PRESSURE: 911200 181.671 -57.2769 -93.0395 -57.2782 -129.417 82.5487 -93.0381 82.5485 -4.11366 GPRESSURE: 911200 283.114 13.8195 -128.626 -111.515 -140.401 56.0119 7.03716 131.38 14.5069 PRESSAVG: 911200 57.0928 -9.90715 -74.6394 -9.90717 -79.2893 9.75141 -74.6394 9.75136 -57.2312 GPRESSAVG: 911200 58.8254 -9.00422 -76.7929 -11.39 -79.5523 10.0322 -72.4913 8.24493 -58.825 TIMING: 911200 CPU: 2736.21, 0.00302747/step Wall: 2736.21, 0.00302747/step, 3.43853 hours remaining, 206.117188 MB of memory in use. ENERGY: 911200 774.8235 2131.0393 1901.2206 125.1719 -206184.4981 17793.2996 0.0000 0.0000 34316.0676 -149142.8756 299.6908 -183458.9432 -149044.3723 299.3875 16.0467 52.4066 555489.7347 -26.4759 -26.5173 PRESSURE: 911400 58.3366 215.389 -79.67 215.389 -104.498 42.9778 -79.67 42.9757 -103.033 GPRESSURE: 911400 83.6239 243.769 -5.80782 195.611 -43.2997 14.5516 -161.984 28.7757 -87.7978 PRESSAVG: 911400 76.4047 48.5394 -89.152 48.5395 -86.5505 5.156 -89.152 5.15603 -17.258 GPRESSAVG: 911400 75.8328 48.5425 -86.9458 50.5129 -86.9166 4.79472 -92.3328 6.27149 -16.5002 TIMING: 911400 CPU: 2736.82, 0.00301617/step Wall: 2736.82, 0.00301617/step, 3.42553 hours remaining, 206.117188 MB of memory in use. ENERGY: 911400 732.0912 2060.4905 1890.4121 121.6050 -205506.4140 17416.7811 0.0000 0.0000 34334.2688 -148950.7654 299.8497 -183285.0342 -148854.9461 299.9357 -49.7317 -15.8245 555104.9168 -9.1346 -9.1947 PRESSURE: 911600 52.6295 68.5706 1.96416 68.5713 -316.057 -46.1514 1.96274 -46.1509 -224.724 GPRESSURE: 911600 102.479 122.726 80.3989 38.0104 -275.915 87.9502 -21.0147 -165.118 -212.664 PRESSAVG: 911600 80.3588 26.1093 -64.8113 26.1094 -22.0974 -4.16892 -64.8114 -4.16882 -38.8888 GPRESSAVG: 911600 80.6606 26.1346 -64.5435 25.4924 -21.5847 -2.62682 -64.4811 -6.09825 -39.855 TIMING: 911600 CPU: 2737.42, 0.00300527/step Wall: 2737.42, 0.00300527/step, 3.41298 hours remaining, 206.117188 MB of memory in use. ENERGY: 911600 764.0132 2046.5644 1935.7707 126.2199 -205626.8018 17631.8866 0.0000 0.0000 34213.9887 -148908.3583 298.7993 -183122.3469 -148805.7808 299.7216 -162.7172 -128.7003 558557.9983 6.4575 6.4070 PRESSURE: 911800 -58.6516 77.4366 -2.98783 77.4364 -178.665 -37.3701 -2.98695 -37.3694 37.8395 GPRESSURE: 911800 -11.2132 117.537 -40.4071 168.402 -161.917 -113.332 -35.2866 43.1728 66.5179 PRESSAVG: 911800 70.1153 28.227 -7.74197 28.227 -71.0588 -40.5484 -7.742 -40.5483 8.53268 GPRESSAVG: 911800 70.1814 28.5011 -9.26249 27.2077 -70.9577 -41.9676 -6.40323 -37.2174 8.29031 TIMING: 911800 CPU: 2738.02, 0.00300075/step Wall: 2738.02, 0.00300075/step, 3.40769 hours remaining, 206.117188 MB of memory in use. ENERGY: 911800 731.8923 2105.8457 1932.7789 115.5592 -205834.8148 17603.1909 0.0000 0.0000 34509.2529 -148836.2948 301.3779 -183345.5477 -148740.5026 299.8539 -66.4924 -35.5374 558593.4266 2.5297 2.5047 PRESSURE: 912000 70.9929 39.8304 124.255 39.8311 -291.392 -144.463 124.255 -144.464 -12.6415 GPRESSURE: 912000 137.57 -13.1749 106.698 61.3097 -247.899 -148.898 189.89 -147.997 -20.8483 PRESSAVG: 912000 48.0527 21.606 26.798 21.606 -79.7553 -51.5717 26.798 -51.5716 23.5874 GPRESSAVG: 912000 46.2168 21.0745 26.004 22.6487 -78.9226 -50.8407 26.1253 -54.7228 24.6593 TIMING: 912000 CPU: 2738.62, 0.00302503/step Wall: 2738.62, 0.00302503/step, 3.43509 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: 912000 789.2734 2094.4950 1926.8921 109.4694 -206026.3042 17713.0487 0.0000 0.0000 34521.5930 -148871.5325 301.4857 -183393.1256 -148778.0145 300.3886 -77.6802 -43.7258 556897.4401 -2.7051 -2.6822 PRESSURE: 912200 -50.275 91.9318 97.1975 91.9305 62.0003 -14.4671 97.1963 -14.4677 -45.5309 GPRESSURE: 912200 -36.589 89.3155 69.7939 93.7766 147.893 -84.4409 104.148 -16.0356 -56.6709 PRESSAVG: 912200 33.9111 11.6484 12.4435 11.6484 7.94382 15.4403 12.4436 15.4404 -10.5455 GPRESSAVG: 912200 34.8595 12.724 14.3131 11.7731 6.84042 16.2947 10.9927 16.0842 -10.4077 TIMING: 912200 CPU: 2739.22, 0.0030028/step Wall: 2739.22, 0.0030028/step, 3.40967 hours remaining, 206.117188 MB of memory in use. ENERGY: 912200 738.0434 2088.5687 1918.8535 114.5860 -205835.3034 17755.8501 0.0000 0.0000 34382.6157 -148836.7860 300.2719 -183219.4017 -148741.1991 301.1426 -11.2685 18.2111 557630.3795 10.4365 10.4307 LDB: ============= START OF LOAD BALANCING ============== 2742.74 LDB: ============== END OF LOAD BALANCING =============== 2742.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2742.74 LDB: ============= START OF LOAD BALANCING ============== 2743.04 LDB: Largest compute 4800 load 0.027982 is 23.8% of average load 0.117809 LDB: Average compute 0.001729 is 1.5% of average load 0.117809 LDB: TIME 2743.05 LOAD: AVG 0.117809 MAX 0.207148 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.453 MB LDB: TIME 2743.05 LOAD: AVG 0.117809 MAX 0.207148 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.551 MB LDB: TIME 2743.05 LOAD: AVG 0.117809 MAX 0.207148 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.551 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2743.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2743.05 PRESSURE: 912400 -19.4462 -12.6698 -81.4776 -12.6713 70.2377 -84.0351 -81.4789 -84.0349 45.9971 GPRESSURE: 912400 8.41948 6.07871 -160.616 -33.2942 141.791 -33.6537 -166.424 -90.0754 41.2001 PRESSAVG: 912400 18.8954 13.5201 32.7142 13.5201 12.9109 -6.22755 32.7142 -6.22755 -63.801 GPRESSAVG: 912400 19.2329 14.1116 30.3832 11.7249 13.3402 -6.8272 33.8588 -6.09822 -64.6851 TIMING: 912400 CPU: 2739.84, 0.00306934/step Wall: 2739.84, 0.00306934/step, 3.48506 hours remaining, 207.910156 MB of memory in use. ENERGY: 912400 756.9244 2073.3973 1922.9917 111.1965 -206346.0926 17969.3146 0.0000 0.0000 34499.0456 -149013.2225 301.2887 -183512.2681 -148915.6317 300.6148 32.2629 63.8037 558896.5175 -10.6649 -10.7040 PRESSURE: 912600 -111.492 -78.8569 145.078 -78.8559 -106.474 -50.0069 145.078 -50.0061 342.288 GPRESSURE: 912600 -105.987 -65.4145 139.666 -143.522 33.4617 -101.287 171.804 21.0195 307.191 PRESSAVG: 912600 -39.9119 -17.092 -27.4448 -17.0919 8.95906 -30.3239 -27.4449 -30.324 5.00853 GPRESSAVG: 912600 -38.9896 -15.5201 -24.4553 -18.0127 8.75733 -29.5992 -25.7526 -30.643 4.74855 TIMING: 912600 CPU: 2740.44, 0.00300481/step Wall: 2740.44, 0.00300481/step, 3.41163 hours remaining, 207.980469 MB of memory in use. ENERGY: 912600 749.6188 2157.1205 1917.3735 111.5762 -206292.4563 17922.1614 0.0000 0.0000 34307.0107 -149127.5951 299.6117 -183434.6058 -149036.2263 300.2835 41.4407 78.2218 557407.7841 -8.6481 -8.4946 PRESSURE: 912800 -18.4711 26.7619 149.799 26.7614 7.93725 52.758 149.799 52.7584 11.7083 GPRESSURE: 912800 11.7452 67.9155 135.711 -44.0278 41.5673 104.967 -9.88762 15.4815 52.1116 PRESSAVG: 912800 22.5891 8.08308 -18.6167 8.08312 50.341 -21.6316 -18.6167 -21.6316 -22.4756 GPRESSAVG: 912800 20.0515 4.20522 -19.3129 9.54507 51.597 -23.476 -21.7744 -21.0926 -20.9748 TIMING: 912800 CPU: 2741.04, 0.00300628/step Wall: 2741.04, 0.00300628/step, 3.41314 hours remaining, 207.980469 MB of memory in use. ENERGY: 912800 753.7354 2044.6697 1923.7059 118.2855 -205895.9055 17672.5736 0.0000 0.0000 34475.3328 -148907.6027 301.0817 -183382.9355 -148814.7531 300.0739 0.3915 35.1414 555882.0524 16.8182 16.8912 PRESSURE: 913000 -142.951 -21.1248 0.882584 -21.1237 -28.6497 106.757 0.882519 106.756 3.16302 GPRESSURE: 913000 -72.2674 29.7901 48.3597 -44.4608 -30.2803 137.547 -25.9299 89.608 33.6498 PRESSAVG: 913000 8.20577 -26.7011 36.1794 -26.7012 -29.8033 4.70941 36.1794 4.7095 43.2577 GPRESSAVG: 913000 9.22032 -25.6983 36.7839 -27.3669 -29.5206 3.19881 35.036 3.23542 41.8367 TIMING: 913000 CPU: 2741.64, 0.00301894/step Wall: 2741.64, 0.00301894/step, 3.42734 hours remaining, 207.980469 MB of memory in use. ENERGY: 913000 746.4269 2137.6858 1936.4825 109.1084 -205906.4163 17628.3224 0.0000 0.0000 34341.7444 -149006.6459 299.9150 -183348.3903 -148910.9590 300.7383 -56.1458 -22.9660 557856.1703 7.2200 7.1788 PRESSURE: 913200 235.47 -26.5142 23.3047 -26.5135 -102.235 -100.813 23.3042 -100.813 20.8127 GPRESSURE: 913200 279.581 -9.23902 44.8533 58.6762 -55.0586 -202.933 72.5415 -109.129 25.1975 PRESSAVG: 913200 74.6758 15.8662 -48.8838 15.8662 5.8667 20.1413 -48.8838 20.1414 -66.1825 GPRESSAVG: 913200 75.0803 16.3987 -50.763 16.4654 5.08513 20.0926 -46.1026 21.8296 -65.6483 TIMING: 913200 CPU: 2742.23, 0.00295683/step Wall: 2742.23, 0.00295683/step, 3.35666 hours remaining, 207.980469 MB of memory in use. ENERGY: 913200 730.2830 2156.4831 1910.2531 117.4809 -206281.1527 17853.7311 0.0000 0.0000 34550.3567 -148962.5649 301.7369 -183512.9216 -148865.2122 300.0446 51.3492 83.2400 556782.9897 4.7867 4.8390 PRESSURE: 913400 -168.562 -57.087 39.2395 -57.0865 -58.7839 2.20838 39.241 2.20796 -235.808 GPRESSURE: 913400 -95.4982 -85.6005 92.2057 0.956303 -50.3133 85.5955 -5.48199 -52.5722 -212.297 PRESSAVG: 913400 41.0177 37.195 -23.255 37.1951 -44.8443 -25.0867 -23.2549 -25.0866 -1.54656 GPRESSAVG: 913400 40.4043 37.613 -22.7836 36.9812 -45.2575 -25.1186 -24.1758 -24.3021 -0.720664 TIMING: 913400 CPU: 2742.83, 0.00299595/step Wall: 2742.83, 0.00299595/step, 3.40091 hours remaining, 207.980469 MB of memory in use. ENERGY: 913400 733.9403 2079.0627 1907.6657 111.4661 -205817.9106 17598.1873 0.0000 0.0000 34427.4882 -148960.1003 300.6638 -183387.5885 -148860.1593 300.8775 -154.3846 -119.3697 558904.9984 -1.7911 -1.8580 PRESSURE: 913600 -18.1589 41.3757 -43.7261 41.3756 -68.5864 -36.0211 -43.7254 -36.0205 -167.555 GPRESSURE: 913600 14.5521 11.4177 -63.5783 -8.28617 -14.9984 -25.6235 -44.8543 -21.7003 -164.04 PRESSAVG: 913600 69.7797 -59.45 -16.2053 -59.45 15.233 -26.1414 -16.2052 -26.1414 -46.3489 GPRESSAVG: 913600 70.9032 -61.079 -15.2549 -58.7673 14.9126 -24.008 -15.121 -27.5105 -46.6442 TIMING: 913600 CPU: 2743.42, 0.0029519/step Wall: 2743.42, 0.0029519/step, 3.35073 hours remaining, 207.980469 MB of memory in use. ENERGY: 913600 720.5350 2160.3003 1929.2435 96.5375 -205947.6337 17692.1345 0.0000 0.0000 34272.4372 -149076.4456 299.3097 -183348.8828 -148978.5727 300.4299 -84.7667 -54.8287 558661.6657 12.8879 13.0572 PRESSURE: 913800 66.6228 -151.137 156.56 -151.137 -51.769 -8.73316 156.56 -8.73353 -173.608 GPRESSURE: 913800 58.4355 -136.83 74.7093 -46.4736 33.0127 61.6906 161.591 -29.9468 -152.238 PRESSAVG: 913800 63.0369 -34.2827 -18.3234 -34.2827 -48.8385 -9.14842 -18.3235 -9.1485 -37.133 GPRESSAVG: 913800 62.5013 -31.0656 -19.5115 -34.9269 -49.324 -8.72315 -20.0708 -9.85549 -36.0023 TIMING: 913800 CPU: 2744.02, 0.00297626/step Wall: 2744.02, 0.00297626/step, 3.37822 hours remaining, 207.980469 MB of memory in use. ENERGY: 913800 775.3945 2084.6519 1919.3816 114.8403 -205885.3518 17741.3961 0.0000 0.0000 34259.9130 -148989.7744 299.2003 -183249.6874 -148891.0208 299.8192 -52.9180 -20.2634 558443.3243 -7.6449 -7.6083 PRESSURE: 914000 -82.3044 12.9321 14.4801 12.9312 158.522 -174.641 14.4807 -174.64 30.0621 GPRESSURE: 914000 -37.108 59.8557 93.4022 -18.8849 109.679 -120.946 -40.0005 -197.688 116.266 PRESSAVG: 914000 18.3856 -57.7388 -8.49489 -57.7388 3.91565 -37.4173 -8.49483 -37.4173 -33.6931 GPRESSAVG: 914000 18.4937 -61.0004 -7.39096 -56.5378 5.30505 -39.4954 -8.79573 -35.8087 -35.7198 TIMING: 914000 CPU: 2744.61, 0.00296808/step Wall: 2744.61, 0.00296808/step, 3.36877 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: 914000 721.6683 2123.3801 1937.4809 112.9495 -206237.6135 17827.4275 0.0000 0.0000 34359.1002 -149155.6069 300.0666 -183514.7071 -149050.7845 299.1782 35.4265 62.9455 556752.1313 -3.7973 -3.9737 PRESSURE: 914200 258.734 -60.4169 -70.2994 -60.4169 227.023 22.5069 -70.2987 22.5068 27.3497 GPRESSURE: 914200 321.688 -35.4319 -142.98 -32.573 234.051 62.2309 9.77297 -52.7836 50.0086 PRESSAVG: 914200 57.5469 -59.9793 -16.4593 -59.9794 -3.32829 -23.0457 -16.4593 -23.0457 -54.2411 GPRESSAVG: 914200 56.4157 -60.5705 -16.6808 -59.092 -4.37972 -21.9486 -14.9548 -24.1279 -52.2666 TIMING: 914200 CPU: 2745.21, 0.0029739/step Wall: 2745.21, 0.0029739/step, 3.37521 hours remaining, 207.980469 MB of memory in use. ENERGY: 914200 716.3430 2070.1663 1903.3621 112.9414 -206380.4239 18014.8741 0.0000 0.0000 34221.2850 -149341.4520 298.8630 -183562.7370 -149241.2633 299.1890 171.0356 201.9157 555681.4555 -0.0075 -0.0769 PRESSURE: 914400 -61.3265 19.6797 -77.1429 19.6793 129.163 82.601 -77.1427 82.6024 -36.4698 GPRESSURE: 914400 -2.61231 3.58971 -102.876 34.0186 136.968 108.969 -66.5381 74.0852 5.35489 PRESSAVG: 914400 3.31581 -35.5605 -6.94021 -35.5605 4.19736 67.5605 -6.94022 67.5605 16.2861 GPRESSAVG: 914400 3.12708 -32.8423 -6.5784 -40.5173 4.56366 66.0471 -8.17608 67.7924 16.2871 TIMING: 914400 CPU: 2745.81, 0.00301244/step Wall: 2745.81, 0.00301244/step, 3.41879 hours remaining, 207.980469 MB of memory in use. ENERGY: 914400 752.6282 2032.2201 1913.9569 114.4126 -206261.5146 17857.5662 0.0000 0.0000 34235.0661 -149355.6646 298.9833 -183590.7306 -149254.4792 298.5959 10.4554 46.5702 555869.5170 7.9331 7.9926 PRESSURE: 914600 -96.1192 209.574 -142.707 209.574 -314.894 17.5533 -142.707 17.5539 -200.639 GPRESSURE: 914600 -66.7916 161.731 -67.4883 237.347 -318.644 72.5018 -231.03 81.5951 -127.743 PRESSAVG: 914600 38.041 34.8772 32.7651 34.8773 -20.1763 2.0623 32.7651 2.06223 19.8289 GPRESSAVG: 914600 37.7347 34.0729 32.696 38.3711 -19.4764 3.55751 31.7801 2.60404 19.2198 TIMING: 914600 CPU: 2746.41, 0.00301198/step Wall: 2746.41, 0.00301198/step, 3.4181 hours remaining, 207.980469 MB of memory in use. ENERGY: 914600 750.2638 2052.0545 1910.8088 119.2559 -205807.8825 17367.9272 0.0000 0.0000 34047.4237 -149560.1486 297.3446 -183607.5724 -149464.8988 298.5993 -203.8838 -171.0597 558345.1057 12.5645 12.4927 PRESSURE: 914800 -110.005 -20.6795 -88.5517 -20.6807 -70.3111 -66.9676 -88.5508 -66.9667 -113.121 GPRESSURE: 914800 -27.9535 -3.94704 -123.731 52.9244 -36.6667 -143.243 -96.4998 -19.6528 -125.278 PRESSAVG: 914800 -11.4532 -5.26692 30.8971 -5.26689 -15.0557 30.3644 30.8971 30.3644 27.9118 GPRESSAVG: 914800 -10.4178 -7.01613 30.1508 -5.1265 -15.8037 29.4099 31.4374 30.1471 27.6967 TIMING: 914800 CPU: 2747.01, 0.00298395/step Wall: 2747.01, 0.00298395/step, 3.38612 hours remaining, 207.980469 MB of memory in use. ENERGY: 914800 786.4291 2072.2217 1939.8234 124.4507 -206512.4086 17808.0027 0.0000 0.0000 34203.7221 -149577.7589 298.7096 -183781.4810 -149474.5704 297.8859 -97.8124 -63.2996 556384.8799 0.4676 0.4917 PRESSURE: 915000 -19.164 -123.973 145.414 -123.972 121.342 125.424 145.413 125.424 4.93774 GPRESSURE: 915000 -1.05059 -88.28 179.006 -116.534 186.747 126.285 118.831 54.3296 21.5804 PRESSAVG: 915000 2.43799 4.64077 70.1597 4.64074 -3.00001 13.15 70.1596 13.1501 55.3341 GPRESSAVG: 915000 2.43321 5.27038 69.2374 4.03384 -4.05527 13.249 71.8804 13.7955 56.0716 TIMING: 915000 CPU: 2747.6, 0.00297552/step Wall: 2747.6, 0.00297552/step, 3.37639 hours remaining, 207.980469 MB of memory in use. ENERGY: 915000 742.6834 2113.8060 1946.5145 106.2909 -206192.2320 17746.6324 0.0000 0.0000 34123.6849 -149412.6199 298.0106 -183536.3048 -149322.0119 298.4291 35.7051 69.0923 557587.5311 18.2573 18.1498 PRESSURE: 915200 -133.124 -52.8667 222.704 -52.867 106.646 59.1154 222.704 59.1143 -4.507 GPRESSURE: 915200 -120.249 -38.2873 181.342 -62.0472 167.513 97.7737 263.739 18.2717 9.39829 PRESSAVG: 915200 39.7979 -49.3697 25.8733 -49.3695 5.72981 9.19274 25.8734 9.19277 -42.259 GPRESSAVG: 915200 38.4312 -48.0427 26.6002 -49.6188 6.33581 7.80049 28.0129 7.70643 -42.3937 TIMING: 915200 CPU: 2748.2, 0.00298999/step Wall: 2748.2, 0.00298999/step, 3.39264 hours remaining, 207.980469 MB of memory in use. ENERGY: 915200 749.2144 2038.1380 1931.6889 111.1794 -206312.8896 17745.5930 0.0000 0.0000 34389.1281 -149347.9478 300.3288 -183737.0759 -149250.9400 298.9233 -10.3286 18.8874 556465.9334 1.0896 0.7911 PRESSURE: 915400 7.77751 176.164 14.7219 176.164 -8.60428 -66.5366 14.7218 -66.536 -145.262 GPRESSURE: 915400 25.3742 165.425 -23.2993 114.229 18.853 -43.2766 11.5662 -63.8561 -90.0277 PRESSAVG: 915400 -1.35135 38.0068 -13.5146 38.0068 -26.2331 -22.4622 -13.5147 -22.4623 17.1059 GPRESSAVG: 915400 -1.15637 38.1148 -14.8572 40.5688 -25.8998 -20.9259 -13.5522 -22.2061 17.2381 TIMING: 915400 CPU: 2748.8, 0.00296812/step Wall: 2748.8, 0.00296812/step, 3.36766 hours remaining, 207.980469 MB of memory in use. ENERGY: 915400 757.0104 2126.6351 1918.3472 103.4154 -206230.7664 17875.7683 0.0000 0.0000 34230.4942 -149219.0958 298.9434 -183449.5899 -149133.5001 299.4055 -48.6963 -15.2668 558630.8480 -3.4928 -3.2727 PRESSURE: 915600 -303.069 144.463 -8.78277 144.463 -262.917 -119.809 -8.78267 -119.812 -199.662 GPRESSURE: 915600 -210.212 161.668 -93.1289 183.461 -256.905 -167.628 112.75 -38.8479 -191.952 PRESSAVG: 915600 -23.5371 78.8431 11.2491 78.8431 15.8071 -13.2447 11.2491 -13.2447 1.07842 GPRESSAVG: 915600 -23.5743 78.8835 13.4028 77.5389 15.9353 -14.2815 10.2838 -11.5496 0.399553 TIMING: 915600 CPU: 2749.39, 0.00297517/step Wall: 2749.39, 0.00297517/step, 3.3755 hours remaining, 207.980469 MB of memory in use. ENERGY: 915600 815.8563 2026.9755 1930.5658 123.1597 -205800.0421 17487.8457 0.0000 0.0000 34240.1717 -149175.4675 299.0279 -183415.6392 -149075.0317 299.7338 -255.2157 -219.6898 557862.3410 -2.2172 -2.4132 PRESSURE: 915800 -39.1221 -173.596 44.0408 -173.596 -212.069 100.126 44.0407 100.127 76.6643 GPRESSURE: 915800 8.99102 -126.251 48.2992 -189.498 -172.056 135.171 69.7288 113.551 84.8675 PRESSAVG: 915800 -29.5738 83.3505 5.34451 83.3505 -2.43465 -13.3057 5.34454 -13.3056 23.7844 GPRESSAVG: 915800 -29.8312 84.5617 3.15128 82.8705 -2.53235 -12.6477 5.04114 -14.6726 23.935 TIMING: 915800 CPU: 2749.98, 0.00297376/step Wall: 2749.98, 0.00297376/step, 3.37373 hours remaining, 207.980469 MB of memory in use. ENERGY: 915800 727.5939 2122.9926 1960.3075 110.7583 -205910.6722 17707.8906 0.0000 0.0000 34232.8638 -149048.2655 298.9641 -183281.1293 -148948.4212 299.6637 -58.1755 -26.0657 557527.4532 -2.7414 -2.8095 PRESSURE: 916000 157.964 -113.519 83.0429 -113.519 -230.197 35.1285 83.0429 35.1285 -115.79 GPRESSURE: 916000 218.132 -108.204 79.1815 -90.5167 -171.692 83.1527 72.7928 -46.412 -142.032 PRESSAVG: 916000 6.24652 -18.3144 8.27766 -18.3143 111.169 20.893 8.27759 20.8931 -105.996 GPRESSAVG: 916000 6.2123 -19.9782 8.79738 -17.9619 110.72 20.4405 6.50063 20.7635 -105.669 TIMING: 916000 CPU: 2750.59, 0.00300245/step Wall: 2750.59, 0.00300245/step, 3.40612 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: 916000 747.3556 2105.8618 1940.9300 120.5069 -205944.9295 17624.7002 0.0000 0.0000 34443.3967 -148962.1783 300.8028 -183405.5750 -148866.5564 299.6100 -62.6747 -31.8639 557690.8082 3.8066 3.7544 PRESSURE: 916200 -43.8104 26.7388 -59.475 26.7397 -225.833 -82.9216 -59.4749 -82.9223 19.2303 GPRESSURE: 916200 -16.3362 57.9597 -38.835 -17.0943 -232.429 -183.617 -94.7321 -113.181 86.2312 PRESSAVG: 916200 5.26304 90.7684 -4.70077 90.7685 6.29533 -36.46 -4.7007 -36.46 -9.20503 GPRESSAVG: 916200 5.8506 91.1888 -4.27645 91.4073 5.5761 -35.2933 -2.96298 -38.1352 -9.24637 TIMING: 916200 CPU: 2751.18, 0.00298566/step Wall: 2751.18, 0.00298566/step, 3.3869 hours remaining, 207.980469 MB of memory in use. ENERGY: 916200 765.3290 2109.0753 1928.4096 120.8196 -205771.5459 17568.8954 0.0000 0.0000 34290.3439 -148988.6731 299.4661 -183279.0169 -148895.4486 300.0977 -83.4711 -54.1779 556564.8931 0.7844 0.7268 LDB: ============= START OF LOAD BALANCING ============== 2754.7 LDB: ============== END OF LOAD BALANCING =============== 2754.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2754.7 LDB: ============= START OF LOAD BALANCING ============== 2755 LDB: Largest compute 4800 load 0.027632 is 23.4% of average load 0.117887 LDB: Average compute 0.001732 is 1.5% of average load 0.117887 LDB: TIME 2755 LOAD: AVG 0.117887 MAX 0.20415 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.641 MB LDB: TIME 2755 LOAD: AVG 0.117887 MAX 0.20415 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.711 MB LDB: TIME 2755 LOAD: AVG 0.117887 MAX 0.20415 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.711 MB LDB: ============== END OF LOAD BALANCING =============== 2755 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2755.01 PRESSURE: 916400 -193.808 -194.539 -80.4908 -194.539 232.119 116.632 -80.4916 116.632 -93.5288 GPRESSURE: 916400 -95.5993 -193.523 -58.702 -141.802 246.22 99.0126 -72.3038 174.959 -95.542 PRESSAVG: 916400 -6.90361 51.8033 -15.7643 51.8034 -22.1456 -2.7 -15.7642 -2.70006 19.1923 GPRESSAVG: 916400 -6.70768 51.6878 -15.1981 51.0771 -22.1062 -2.78263 -17.1458 -0.942214 18.9273 TIMING: 916400 CPU: 2751.79, 0.00303571/step Wall: 2751.79, 0.00303571/step, 3.44351 hours remaining, 208.421875 MB of memory in use. ENERGY: 916400 737.2936 2103.6205 1930.5576 109.6634 -206037.6297 17733.9674 0.0000 0.0000 34513.5780 -148908.9492 301.4157 -183422.5272 -148810.6594 300.6336 -18.4057 18.3595 555400.5777 -3.2856 -3.2955 PRESSURE: 916600 -101.646 -21.5801 -166.137 -21.5794 -65.9053 -38.7873 -166.135 -38.786 -159.983 GPRESSURE: 916600 -119.77 7.62146 -151.359 -30.7005 -12.3214 -2.13099 -174.312 53.4681 -108.87 PRESSAVG: 916600 -7.61909 33.5747 -24.5664 33.5747 -3.80151 -2.8178 -24.5663 -2.81769 25.8745 GPRESSAVG: 916600 -8.19635 34.0041 -24.3131 33.3704 -3.34017 -2.29572 -20.5746 -0.303041 26.1439 TIMING: 916600 CPU: 2752.38, 0.00295859/step Wall: 2752.38, 0.00295859/step, 3.35587 hours remaining, 208.492188 MB of memory in use. ENERGY: 916600 761.3538 2093.4549 1974.5320 108.6783 -205961.7797 17580.9049 0.0000 0.0000 34540.0456 -148902.8103 301.6468 -183442.8558 -148806.1498 301.1207 -109.1783 -80.3205 555599.5224 4.8180 4.8691 PRESSURE: 916800 -16.6845 -25.1975 -22.5285 -25.197 298.077 -50.062 -22.5282 -50.0629 -167.429 GPRESSURE: 916800 -49.6964 -61.4699 -70.3393 6.72655 286.672 -52.5893 -11.7158 -63.6326 -35.8405 PRESSAVG: 916800 -65.0842 33.2572 3.59151 33.2572 33.8702 1.03506 3.59144 1.03505 4.4141 GPRESSAVG: 916800 -65.2847 32.0279 3.03095 34.5527 34.0891 0.908352 0.88003 -0.417519 4.1031 TIMING: 916800 CPU: 2752.98, 0.00299256/step Wall: 2752.98, 0.00299256/step, 3.39423 hours remaining, 208.492188 MB of memory in use. ENERGY: 916800 715.2963 2099.0275 1922.5500 120.5555 -205909.0057 17765.2398 0.0000 0.0000 34526.3690 -148759.9675 301.5274 -183286.3365 -148668.7543 300.6221 37.9881 67.0450 556581.6541 -8.9333 -9.0308 PRESSURE: 917000 63.3035 20.1619 -46.1853 20.1617 207.453 -5.43973 -46.185 -5.43935 202.131 GPRESSURE: 917000 127.808 -13.0655 -53.6566 88.3425 241.698 26.4042 -78.6559 -42.9465 187.478 PRESSAVG: 917000 -30.5591 108.052 -33.5592 108.052 38.3207 24.0273 -33.5592 24.0272 58.8398 GPRESSAVG: 917000 -30.6814 108.386 -34.0603 106.169 37.8038 21.9891 -31.6685 23.7031 59.4216 TIMING: 917000 CPU: 2753.58, 0.00300401/step Wall: 2753.58, 0.00300401/step, 3.40705 hours remaining, 208.492188 MB of memory in use. ENERGY: 917000 716.9386 2150.2216 1945.2131 117.6891 -206087.1281 17960.6438 0.0000 0.0000 34310.2099 -148886.2121 299.6396 -183196.4219 -148792.6014 301.4936 157.6289 185.6611 557232.6465 22.2005 22.1813 PRESSURE: 917200 -158.712 32.2086 119.435 32.2085 -5.47862 -29.7547 119.435 -29.754 -495.92 GPRESSURE: 917200 -94.7411 41.8327 138.756 56.494 47.1485 -21.4683 56.1695 55.3161 -525.294 PRESSAVG: 917200 10.2047 78.6575 -63.6185 78.6573 19.3383 -11.5765 -63.6184 -11.5764 30.0097 GPRESSAVG: 917200 11.0628 79.1869 -64.2694 80.5151 18.9804 -10.3806 -65.0241 -10.7677 29.5416 TIMING: 917200 CPU: 2754.18, 0.00297653/step Wall: 2754.18, 0.00297653/step, 3.37571 hours remaining, 208.492188 MB of memory in use. ENERGY: 917200 736.7724 2068.0131 1942.5249 115.3582 -205410.8188 17298.2953 0.0000 0.0000 34214.2716 -149035.5833 298.8017 -183249.8549 -148934.4358 300.0214 -220.0369 -190.9623 557762.3156 19.8509 19.8616 PRESSURE: 917400 7.10871 17.1881 -150.325 17.1873 -178.137 -102.024 -150.323 -102.024 0.4769 GPRESSURE: 917400 74.8522 -29.4032 -72.7562 25.1538 -110.597 -159.197 -133.473 -125.888 -27.8296 PRESSAVG: 917400 11.0471 31.0552 -38.3589 31.0552 39.4405 25.9951 -38.3588 25.9952 -2.22835 GPRESSAVG: 917400 10.5126 29.0746 -36.6164 32.6271 40.9064 26.4306 -38.7732 25.3627 -3.08396 TIMING: 917400 CPU: 2754.77, 0.00297316/step Wall: 2754.77, 0.00297316/step, 3.37173 hours remaining, 208.492188 MB of memory in use. ENERGY: 917400 733.5139 2111.5786 1920.0094 109.6306 -205929.0439 17645.3429 0.0000 0.0000 34251.8893 -149157.0791 299.1303 -183408.9685 -149065.6649 299.6707 -56.8504 -21.1916 555673.8791 16.0864 16.1117 PRESSURE: 917600 -77.8692 114.935 15.0975 114.935 58.3259 0.841443 15.0978 0.840563 -81.3018 GPRESSURE: 917600 -27.6982 52.7708 105.703 78.6622 105.291 -16.8693 94.2857 14.5529 -70.208 PRESSAVG: 917600 -37.302 37.3336 -47.5828 37.3335 12.0617 -2.92944 -47.5828 -2.92931 -7.95966 GPRESSAVG: 917600 -38.1786 38.9319 -49.0604 35.8637 11.5926 -2.20021 -46.6252 -4.78322 -7.15698 TIMING: 917600 CPU: 2755.37, 0.00298385/step Wall: 2755.37, 0.00298385/step, 3.38369 hours remaining, 208.750000 MB of memory in use. ENERGY: 917600 775.7385 2042.4079 1936.8289 111.1753 -205988.6763 17719.1635 0.0000 0.0000 34347.0605 -149056.3017 299.9614 -183403.3621 -148958.6924 299.7697 -33.6150 2.4615 555402.3055 -11.0667 -11.2477 PRESSURE: 917800 -206.146 -75.6856 228.176 -75.6852 42.6217 -43.9709 228.177 -43.9696 -132.021 GPRESSURE: 917800 -125.567 -77.5067 264.978 -73.0333 52.5835 -41.1291 229.35 -132.873 -126.971 PRESSAVG: 917800 -1.62552 -2.94942 -7.42588 -2.94937 -38.6241 12.7128 -7.42584 12.7128 59.892 GPRESSAVG: 917800 -1.2249 -3.52741 -6.64312 -4.10542 -39.528 11.3841 -8.02511 14.8752 59.6668 TIMING: 917800 CPU: 2755.96, 0.00297156/step Wall: 2755.96, 0.00297156/step, 3.36959 hours remaining, 208.750000 MB of memory in use. ENERGY: 917800 697.1379 2125.2573 1921.9213 115.1019 -205609.1409 17395.2641 0.0000 0.0000 34226.5967 -149127.8616 298.9094 -183354.4583 -149034.4349 299.5532 -98.5152 -66.6516 556707.6839 6.5475 6.3046 PRESSURE: 918000 27.5659 11.4609 -33.7847 11.4605 -108.859 29.0272 -33.7834 29.027 85.0326 GPRESSURE: 918000 76.0386 -24.2469 -91.4256 -21.4355 -127.616 -45.1918 -16.9197 87.5786 153.06 PRESSAVG: 918000 52.8648 -32.3388 -39.9577 -32.3387 -83.2557 -11.4849 -39.9576 -11.4849 7.43081 GPRESSAVG: 918000 53.0503 -32.5743 -40.0156 -32.1246 -83.0925 -11.6014 -39.7438 -13.1969 7.30255 TIMING: 918000 CPU: 2756.56, 0.0029918/step Wall: 2756.56, 0.0029918/step, 3.39237 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: 918000 736.1610 2100.5908 1896.6664 116.2929 -205756.2483 17680.8843 0.0000 0.0000 34247.1272 -148978.5256 299.0887 -183225.6529 -148888.4338 299.5629 1.2466 33.8276 557911.9917 -7.6534 -7.5799 PRESSURE: 918200 -29.077 -6.3933 -194.21 -6.39344 -203.88 1.20889 -194.21 1.20764 -264.517 GPRESSURE: 918200 62.002 -14.5307 -153.772 31.4692 -162.855 -44.1302 -254.803 -13.8514 -283.887 PRESSAVG: 918200 22.0668 7.43359 -116.551 7.4336 -6.56691 -21.5754 -116.551 -21.5756 -18.8134 GPRESSAVG: 918200 22.7357 7.68191 -116.165 7.4534 -6.65297 -20.8915 -116.064 -20.702 -18.9571 TIMING: 918200 CPU: 2757.15, 0.00295597/step Wall: 2757.15, 0.00295597/step, 3.35157 hours remaining, 208.750000 MB of memory in use. ENERGY: 918200 740.4229 2053.9656 1952.2910 117.1836 -205983.8764 17688.3528 0.0000 0.0000 34393.2900 -149038.3705 300.3652 -183431.6605 -148938.1400 299.4612 -165.8245 -128.2467 558931.3731 -1.1045 -0.9581 PRESSURE: 918400 -90.1115 -92.9266 -12.5089 -92.927 -52.8136 15.0776 -12.5078 15.0773 -26.5865 GPRESSURE: 918400 -60.7152 -116.569 44.6348 -40.5301 -38.9175 -26.5831 -59.8731 50.6918 9.61238 PRESSAVG: 918400 14.6783 16.7771 -35.8918 16.7771 -26.7817 33.602 -35.8917 33.6019 -16.8281 GPRESSAVG: 918400 14.4118 16.9121 -35.3994 15.5066 -26.7658 33.882 -35.1102 35.3478 -16.3318 TIMING: 918400 CPU: 2757.74, 0.00295345/step Wall: 2757.74, 0.00295345/step, 3.34856 hours remaining, 208.750000 MB of memory in use. ENERGY: 918400 769.2549 2069.7104 1914.0104 106.6458 -205863.4295 17594.2200 0.0000 0.0000 34330.9705 -149078.6175 299.8209 -183409.5880 -148964.0264 299.6842 -56.5039 -30.0068 557277.8001 -9.6439 -9.5619 PRESSURE: 918600 -144.744 20.2735 -22.8815 20.2725 280.798 -99.9155 -22.8817 -99.9151 -66.0729 GPRESSURE: 918600 -78.3472 27.918 -66.8872 33.2177 271.408 -44.7296 50.8962 -154.165 -23.7751 PRESSAVG: 918600 -57.6117 -6.09297 -71.7197 -6.09299 41.9826 -28.331 -71.7196 -28.3311 56.716 GPRESSAVG: 918600 -56.6349 -5.59542 -70.3642 -4.93407 40.7691 -28.8265 -73.0825 -28.1539 57.3249 TIMING: 918600 CPU: 2758.33, 0.00295276/step Wall: 2758.33, 0.00295276/step, 3.34761 hours remaining, 208.750000 MB of memory in use. ENERGY: 918600 763.9826 2058.8252 1919.1910 111.0772 -205890.3194 17754.7802 0.0000 0.0000 34294.8353 -148987.6279 299.5053 -183282.4632 -148887.6786 299.7271 23.3270 56.4286 557081.1256 13.6956 13.8197 PRESSURE: 918800 -103.235 111.108 7.59783 111.107 216.177 122.151 7.59723 122.152 -121.186 GPRESSURE: 918800 5.72162 31.7117 -70.1343 156.35 162.364 142.881 63.524 137.198 -77.2402 PRESSAVG: 918800 -71.019 25.9301 -6.72887 25.9301 55.5855 -40.0802 -6.72887 -40.0801 -5.89588 GPRESSAVG: 918800 -73.0059 24.0204 -9.70193 27.6057 57.8327 -40.574 -5.13215 -40.0249 -5.46222 TIMING: 918800 CPU: 2758.93, 0.00296732/step Wall: 2758.93, 0.00296732/step, 3.36395 hours remaining, 208.750000 MB of memory in use. ENERGY: 918800 709.3187 2064.8443 1949.1710 107.1809 -205638.6268 17644.5357 0.0000 0.0000 34213.3070 -148950.2692 298.7933 -183163.5762 -148862.0262 300.1967 -2.7479 30.2819 559449.7030 -7.1098 -6.8785 PRESSURE: 919000 -259.396 -123.106 3.03614 -123.107 -223.421 7.54316 3.03538 7.54192 27.8653 GPRESSURE: 919000 -230.089 -58.7448 -30.0236 -137.905 -245.029 63.834 -7.49126 24.8118 101.966 PRESSAVG: 919000 18.7518 7.86436 -37.1362 7.86433 2.99503 48.9872 -37.1363 48.9872 11.2552 GPRESSAVG: 919000 20.0887 10.7693 -36.1738 7.00916 1.77619 51.2066 -38.1629 46.7989 11.1918 TIMING: 919000 CPU: 2759.52, 0.00296312/step Wall: 2759.52, 0.00296312/step, 3.35902 hours remaining, 208.750000 MB of memory in use. ENERGY: 919000 748.3932 2044.5674 1935.5565 114.2800 -206017.5482 17605.8593 0.0000 0.0000 34424.2945 -149144.5974 300.6359 -183568.8919 -149050.7109 299.7499 -151.6505 -124.3843 558590.7177 11.0007 11.0189 PRESSURE: 919200 3.7859 -27.1977 -76.8869 -27.1965 -173.549 17.7617 -76.8881 17.7614 -78.6662 GPRESSURE: 919200 63.4445 18.4301 -39.235 -57.3251 -163.415 42.9666 -103.256 16.4729 -50.0229 PRESSAVG: 919200 -9.70343 -15.2394 -40.6699 -15.2394 -3.65563 8.22273 -40.67 8.22273 -9.20883 GPRESSAVG: 919200 -10.3751 -17.0754 -38.8608 -15.4589 -3.45743 6.49818 -40.8626 7.94126 -8.84581 TIMING: 919200 CPU: 2760.12, 0.00298296/step Wall: 2760.12, 0.00298296/step, 3.38135 hours remaining, 208.750000 MB of memory in use. ENERGY: 919200 764.6709 2039.0914 1953.5933 99.3157 -205967.4903 17653.6027 0.0000 0.0000 34172.7539 -149284.4625 298.4392 -183457.2164 -149197.4032 298.7270 -82.8099 -49.9979 559336.3252 -7.5226 -7.5594 PRESSURE: 919400 -22.5392 7.39606 -11.1951 7.3962 -316.504 39.1876 -11.196 39.1889 45.405 GPRESSURE: 919400 -12.2892 28.9457 58.6121 43.7901 -278.405 23.4562 -79.3892 19.9825 100.923 PRESSAVG: 919400 35.1532 -34.8075 -36.6765 -34.8075 -34.6975 24.4185 -36.6765 24.4185 17.1489 GPRESSAVG: 919400 35.7435 -33.2035 -37.9555 -36.2104 -34.8998 25.1175 -36.7187 25.6093 17.0861 TIMING: 919400 CPU: 2760.71, 0.00299356/step Wall: 2760.71, 0.00299356/step, 3.3932 hours remaining, 208.750000 MB of memory in use. ENERGY: 919400 757.7681 2060.8606 1945.8472 107.5098 -206228.5773 17913.7241 0.0000 0.0000 34258.5560 -149184.3115 299.1885 -183442.8675 -149093.8952 299.2896 -97.8794 -63.2571 558686.2211 5.8682 5.9766 PRESSURE: 919600 64.9728 -30.8336 -24.1318 -30.8326 173.055 -47.0576 -24.1325 -47.0603 -15.8996 GPRESSURE: 919600 116.42 46.5215 -90.4979 13.3783 188.92 -3.99315 54.8442 -34.465 1.64709 PRESSAVG: 919600 47.0438 -35.7401 -7.31759 -35.74 -55.6243 6.59247 -7.31762 6.59248 4.93676 GPRESSAVG: 919600 44.775 -36.5605 -7.6654 -35.6336 -54.67 5.76355 -6.92694 7.99808 6.17486 TIMING: 919600 CPU: 2761.31, 0.0029801/step Wall: 2761.31, 0.0029801/step, 3.37778 hours remaining, 208.750000 MB of memory in use. ENERGY: 919600 750.1122 2027.9473 1936.7744 106.9501 -206106.6090 17885.6538 0.0000 0.0000 34191.9941 -149207.1771 298.6072 -183399.1711 -149115.0135 299.0070 74.0429 102.3288 558677.4638 -1.2146 -1.2400 PRESSURE: 919800 -261.838 -37.846 -38.8192 -37.8478 -480.296 -101.099 -38.8196 -101.1 -81.3465 GPRESSURE: 919800 -197.188 -23.468 -87.3071 -92.9592 -425.416 -116.391 -74.6068 -96.332 -112.087 PRESSAVG: 919800 -3.11686 -31.9766 -70.004 -31.9765 -28.9832 -86.4618 -70.004 -86.4618 17.1813 GPRESSAVG: 919800 -0.861348 -33.8219 -69.3146 -31.1261 -29.208 -85.2733 -70.2767 -85.6398 15.4154 TIMING: 919800 CPU: 2761.91, 0.00298845/step Wall: 2761.91, 0.00298845/step, 3.38708 hours remaining, 208.750000 MB of memory in use. ENERGY: 919800 727.9385 2140.5604 1918.1681 110.8208 -205775.3982 17568.1818 0.0000 0.0000 34108.0029 -149201.7256 297.8737 -183309.7285 -149115.5909 298.2893 -274.4935 -244.8971 559268.5662 -4.9729 -4.8847 PRESSURE: 920000 68.5137 6.70291 -73.2273 6.70268 -67.6165 131.122 -73.228 131.122 -337.39 GPRESSURE: 920000 134.28 42.2704 -118.662 15.7264 -70.9026 130.799 -108.984 149.039 -305.285 PRESSAVG: 920000 -12.7962 -10.9932 1.08588 -10.9931 -8.01652 34.7887 1.08601 34.7888 12.5198 GPRESSAVG: 920000 -12.592 -10.1088 1.3307 -10.851 -7.52472 33.7963 1.03474 32.4755 12.2259 TIMING: 920000 CPU: 2762.5, 0.00298171/step Wall: 2762.5, 0.00298171/step, 3.37927 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: 920000 774.2467 2023.5699 1940.4980 110.2673 -205869.3249 17657.3368 0.0000 0.0000 34162.3239 -149201.0824 298.3481 -183363.4062 -149104.9165 298.7333 -112.1642 -80.6360 557805.0769 -2.7643 -2.6303 PRESSURE: 920200 83.4851 -31.6191 97.7946 -31.6184 -116.681 -73.53 97.796 -73.532 -110.031 GPRESSURE: 920200 69.2472 6.59852 123.948 30.4946 -77.2389 -130.61 76.1051 -68.94 -32.593 PRESSAVG: 920200 30.6785 65.1513 -22.7748 65.1513 43.4051 -5.92216 -22.7749 -5.92213 -57.2333 GPRESSAVG: 920200 30.8427 64.3697 -21.8143 64.7999 42.5217 -5.25478 -22.0287 -5.94029 -56.0233 TIMING: 920200 CPU: 2763.1, 0.00298969/step Wall: 2763.1, 0.00298969/step, 3.38815 hours remaining, 208.750000 MB of memory in use. ENERGY: 920200 744.4337 2016.0086 1929.8231 112.3896 -205920.8398 17619.5688 0.0000 0.0000 34217.4021 -149281.2137 298.8291 -183498.6159 -149180.2016 299.2634 -47.7422 -13.5282 556722.2905 5.6168 5.7803 LDB: ============= START OF LOAD BALANCING ============== 2766.62 LDB: ============== END OF LOAD BALANCING =============== 2766.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2766.62 LDB: ============= START OF LOAD BALANCING ============== 2766.92 LDB: Largest compute 4794 load 0.028662 is 24.3% of average load 0.117900 LDB: Average compute 0.001737 is 1.5% of average load 0.117900 LDB: TIME 2766.92 LOAD: AVG 0.1179 MAX 0.205018 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.832 MB LDB: TIME 2766.92 LOAD: AVG 0.1179 MAX 0.205018 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.902 MB LDB: TIME 2766.92 LOAD: AVG 0.1179 MAX 0.205018 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.902 MB LDB: ============== END OF LOAD BALANCING =============== 2766.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2766.93 PRESSURE: 920400 36.8147 84.4054 88.3764 84.406 60.1089 -186.794 88.3761 -186.795 -11.3711 GPRESSURE: 920400 46.3186 86.7361 93.9707 97.8964 109.956 -130.188 94.4988 -119.075 32.8876 PRESSAVG: 920400 -8.15867 0.207307 37.5872 0.207332 -11.7491 -8.27092 37.5873 -8.27097 16.403 GPRESSAVG: 920400 -7.88026 1.4235 37.1968 0.397852 -11.447 -8.53821 37.5481 -7.681 15.8769 TIMING: 920400 CPU: 2763.71, 0.00306182/step Wall: 2763.71, 0.00306182/step, 3.46972 hours remaining, 209.433594 MB of memory in use. ENERGY: 920400 696.6076 2073.6647 1896.2254 103.0007 -206003.0259 17736.2697 0.0000 0.0000 34324.5221 -149172.7358 299.7646 -183497.2579 -149065.5537 298.8103 28.5175 63.0540 556363.2948 -1.1683 -1.1501 PRESSURE: 920600 -223.109 -64.7957 69.1567 -64.7963 -144.096 -16.5669 69.1571 -16.5656 -242.826 GPRESSURE: 920600 -183.912 7.97764 83.4921 -84.6516 -111.109 17.4027 40.8891 -39.789 -224.895 PRESSAVG: 920600 -97.3353 -37.746 -31.8044 -37.746 69.6307 -3.88075 -31.8044 -3.8807 -15.7625 GPRESSAVG: 920600 -98.3234 -37.5331 -32.2586 -37.6773 70.2684 -5.24561 -31.9581 -4.08977 -15.3158 TIMING: 920600 CPU: 2764.32, 0.00301031/step Wall: 2764.32, 0.00301031/step, 3.41118 hours remaining, 209.636719 MB of memory in use. ENERGY: 920600 735.1892 2043.4319 1921.5155 121.4836 -205833.6314 17461.4388 0.0000 0.0000 34213.9341 -149336.6382 298.7988 -183550.5723 -149245.4296 298.7688 -203.3438 -173.3052 558725.5318 -14.4890 -14.4570 PRESSURE: 920800 -160.368 -50.2302 94.4687 -50.2299 181.867 -73.3712 94.4673 -73.3692 133.333 GPRESSURE: 920800 -155.131 -1.04653 132.679 -36.068 270.621 -61.9643 110.563 -71.6131 133.653 PRESSAVG: 920800 -34.4385 -0.162888 60.8413 -0.162907 66.0778 -22.6108 60.8413 -22.6107 2.04382 GPRESSAVG: 920800 -33.9242 0.849884 62.1026 -0.730272 65.8816 -19.4219 59.2331 -23.0912 1.83309 TIMING: 920800 CPU: 2764.92, 0.00299416/step Wall: 2764.92, 0.00299416/step, 3.39271 hours remaining, 209.636719 MB of memory in use. ENERGY: 920800 694.5484 2082.4261 1936.5587 117.8899 -206359.6369 17921.6176 0.0000 0.0000 34364.4254 -149242.1708 300.1131 -183606.5961 -149141.4423 299.3416 51.6107 83.0479 557967.5025 11.2277 11.2635 PRESSURE: 921000 -97.827 -76.8044 -36.5005 -76.8052 -235.741 -71.7808 -36.4996 -71.7799 -177.81 GPRESSURE: 921000 -150.593 -47.7236 3.19928 -136.383 -139.698 -61.2352 -5.74963 -85.7906 -114.809 PRESSAVG: 921000 12.71 34.7514 -5.35805 34.7514 38.1488 -3.62027 -5.35787 -3.62029 -45.0475 GPRESSAVG: 921000 13.1768 33.7552 -3.54952 34.3661 38.3947 -5.37998 -4.60727 -4.34395 -45.2803 TIMING: 921000 CPU: 2765.52, 0.00300669/step Wall: 2765.52, 0.00300669/step, 3.40675 hours remaining, 209.636719 MB of memory in use. ENERGY: 921000 751.5647 2159.7029 1889.5475 114.2422 -205978.9552 17694.8301 0.0000 0.0000 34401.5316 -148967.5362 300.4371 -183369.0678 -148874.0070 299.4984 -170.4592 -135.0335 556924.1367 1.9371 2.0971 PRESSURE: 921200 -146.323 -162.769 85.9352 -162.768 -365.952 -82.4536 85.9349 -82.4532 -87.2032 GPRESSURE: 921200 -115.019 -126.447 106.61 -93.3682 -308.718 -68.4189 70.3816 -88.1954 -63.7623 PRESSAVG: 921200 61.6626 19.1877 -1.33523 19.1878 -39.8188 -21.7906 -1.33519 -21.7905 -19.6833 GPRESSAVG: 921200 61.4477 18.6058 -3.31765 20.1536 -39.9997 -22.2311 -0.535577 -22.0951 -19.2463 TIMING: 921200 CPU: 2766.12, 0.00300514/step Wall: 2766.12, 0.00300514/step, 3.40482 hours remaining, 209.636719 MB of memory in use. ENERGY: 921200 774.9534 2089.2495 1913.8228 119.0334 -205431.7115 17304.6792 0.0000 0.0000 34298.6665 -148931.3067 299.5388 -183229.9732 -148842.6590 299.8817 -199.8261 -162.5000 556974.3772 0.7202 0.7339 PRESSURE: 921400 -163.215 -8.26531 15.7665 -8.26398 -229.276 34.2351 15.766 34.2353 -154.694 GPRESSURE: 921400 -198.912 78.0651 116.445 -78.9292 -162.438 11.671 -56.2824 46.1889 -90.461 PRESSAVG: 921400 51.7334 -21.4209 3.19187 -21.4209 -17.7127 -20.8919 3.19185 -20.8918 -30.1399 GPRESSAVG: 921400 52.0069 -20.6791 4.46207 -20.8385 -17.7346 -21.6992 1.91957 -17.8244 -30.542 TIMING: 921400 CPU: 2766.71, 0.00297418/step Wall: 2766.71, 0.00297418/step, 3.36958 hours remaining, 209.636719 MB of memory in use. ENERGY: 921400 738.6666 2085.4544 1924.6285 107.2020 -205457.8497 17512.2751 0.0000 0.0000 34030.4256 -149059.1974 297.1962 -183089.6231 -148970.8489 299.4783 -182.3950 -150.6034 558102.5336 1.2936 1.2434 PRESSURE: 921600 362.987 -2.72753 154.748 -2.72729 -58.8738 -13.2791 154.75 -13.2798 17.2408 GPRESSURE: 921600 421.259 1.69721 30.5157 16.4954 -3.06764 38.9369 154.952 -44.314 -10.872 PRESSAVG: 921600 80.7697 77.0278 9.90603 77.0278 -27.7547 -34.7609 9.906 -34.761 -35.1267 GPRESSAVG: 921600 80.3268 76.6068 10.2426 77.1638 -26.437 -34.58 10.4959 -35.5076 -35.5472 TIMING: 921600 CPU: 2767.31, 0.00297185/step Wall: 2767.31, 0.00297185/step, 3.36678 hours remaining, 209.636719 MB of memory in use. ENERGY: 921600 745.4374 2108.1835 1935.9426 107.5393 -206071.1662 17822.3322 0.0000 0.0000 34162.6539 -149189.0773 298.3510 -183351.7312 -149096.5593 299.7328 107.1180 135.7732 555193.4164 5.9628 6.1142 PRESSURE: 921800 -14.5517 -110.703 -59.107 -110.702 24.3963 18.0628 -59.1085 18.0651 228.894 GPRESSURE: 921800 78.8797 -84.2568 -123.551 -181.86 66.9695 -30.4568 -34.5344 37.5692 195.506 PRESSAVG: 921800 25.0542 -23.724 -2.98804 -23.7241 -57.4435 51.1567 -2.988 51.1566 -2.9842 GPRESSAVG: 921800 25.0732 -24.4336 -2.92506 -23.5806 -57.1912 50.4802 -3.76934 51.1597 -2.86152 TIMING: 921800 CPU: 2767.91, 0.00300394/step Wall: 2767.91, 0.00300394/step, 3.40296 hours remaining, 209.636719 MB of memory in use. ENERGY: 921800 728.1487 2121.4323 1939.3024 110.1487 -205833.6597 17688.9549 0.0000 0.0000 34118.6229 -149127.0497 297.9664 -183245.6726 -149029.2051 299.8412 79.5794 113.7850 556175.6473 -11.7912 -11.6599 PRESSURE: 922000 72.0537 -50.6557 48.8977 -50.6558 -54.4012 -5.89532 48.8975 -5.89596 -324.568 GPRESSURE: 922000 119.881 -73.9197 126.047 -22.7405 13.1419 -51.3942 -29.8947 -12.7755 -341.926 PRESSAVG: 922000 23.3269 -47.8307 -69.7264 -47.8306 -48.3582 -21.855 -69.7264 -21.8551 29.3865 GPRESSAVG: 922000 22.5529 -46.9678 -70.7804 -46.9517 -48.1556 -22.125 -68.5247 -21.1336 29.9825 TIMING: 922000 CPU: 2768.51, 0.00299515/step Wall: 2768.51, 0.00299515/step, 3.39284 hours remaining, 209.636719 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: 922000 753.9058 2114.2217 1940.1119 125.3206 -206178.3205 17591.4187 0.0000 0.0000 34421.6871 -149231.6547 300.6132 -183653.3418 -149130.4716 299.7149 -102.3051 -69.6343 556706.8037 1.4517 1.4599 PRESSURE: 922200 -159.933 -122.831 -183.702 -122.831 -54.9444 -159.763 -183.703 -159.763 -226.421 GPRESSURE: 922200 -116.301 -178.765 -181.766 -59.7412 -67.5086 -161.68 -164.727 -111.376 -165.802 PRESSAVG: 922200 28.5513 -48.4792 4.0489 -48.4792 -2.96532 -55.5903 4.04898 -55.5903 -31.4296 GPRESSAVG: 922200 28.9336 -50.8558 2.31726 -48.8932 -3.62943 -54.9839 4.86641 -55.8292 -30.8316 TIMING: 922200 CPU: 2769.11, 0.00299384/step Wall: 2769.11, 0.00299384/step, 3.39119 hours remaining, 209.636719 MB of memory in use. ENERGY: 922200 793.9161 2160.9521 1913.1192 109.3506 -206046.7967 17650.9541 0.0000 0.0000 34059.7862 -149358.7185 297.4526 -183418.5047 -149262.2142 299.7525 -147.0994 -116.5374 556935.2268 -1.9479 -1.8425 PRESSURE: 922400 -65.666 -41.0332 -114.991 -41.0327 -226.276 -13.217 -114.989 -13.217 -43.3329 GPRESSURE: 922400 -41.6204 -101.108 -94.3678 43.322 -164.78 -32.8074 -163.364 -84.2632 -23.9655 PRESSAVG: 922400 -18.0795 -46.8595 -37.5076 -46.8595 104.304 13.3519 -37.5076 13.3519 -85.7284 GPRESSAVG: 922400 -17.9313 -43.3266 -38.0142 -48.2835 102.995 15.0924 -37.8232 12.0403 -85.0621 TIMING: 922400 CPU: 2769.7, 0.0029756/step Wall: 2769.7, 0.0029756/step, 3.37036 hours remaining, 209.636719 MB of memory in use. ENERGY: 922400 758.6007 2085.2048 1912.6358 113.4218 -206170.2911 17682.7510 0.0000 0.0000 34381.7071 -149235.9698 300.2640 -183617.6770 -149136.6752 299.6009 -111.7583 -76.7888 558656.4326 0.1653 0.0004 PRESSURE: 922600 -264.322 75.0577 -171.406 75.0573 -50.4316 -38.0761 -171.406 -38.0775 -247.749 GPRESSURE: 922600 -254.576 29.953 -111.906 54.6927 50.7602 -4.58027 -145.887 16.2254 -245.936 PRESSAVG: 922600 -39.7956 -29.2074 -40.585 -29.2074 30.4337 21.7719 -40.585 21.7721 -52.8673 GPRESSAVG: 922600 -39.8713 -32.1722 -39.1609 -28.7296 31.5562 21.6619 -42.7939 19.8044 -52.908 TIMING: 922600 CPU: 2770.3, 0.00297808/step Wall: 2770.3, 0.00297808/step, 3.373 hours remaining, 209.636719 MB of memory in use. ENERGY: 922600 786.2862 2103.9139 1927.7894 118.3858 -206170.9773 17654.8643 0.0000 0.0000 34300.6977 -149279.0400 299.5565 -183579.7377 -149183.5473 300.0386 -187.5009 -149.9173 557842.9397 -20.7431 -20.4077 PRESSURE: 922800 -100.684 -27.8185 -24.9638 -27.8179 17.3018 -212.112 -24.9638 -212.112 101.776 GPRESSURE: 922800 -112.116 4.32381 -128.697 4.47369 94.2898 -137.848 51.4822 -173.582 134.191 PRESSAVG: 922800 -33.0428 -19.5676 -18.5861 -19.5674 86.8005 2.55053 -18.5861 2.55056 -28.948 GPRESSAVG: 922800 -30.88 -16.1114 -17.7241 -21.3776 86.2024 2.89637 -18.0968 3.40839 -30.5456 TIMING: 922800 CPU: 2770.89, 0.00298476/step Wall: 2770.89, 0.00298476/step, 3.3804 hours remaining, 209.636719 MB of memory in use. ENERGY: 922800 781.4747 2126.3065 1945.7821 104.8074 -206429.5294 17828.3312 0.0000 0.0000 34342.7526 -149300.0750 299.9238 -183642.8276 -149205.8591 299.9861 6.1315 38.7884 556509.5320 8.2699 8.2590 PRESSURE: 923000 42.1995 -26.1961 240.361 -26.1961 -214.199 -140.576 240.361 -140.575 188.385 GPRESSURE: 923000 103.725 -131.729 255.752 46.1692 -169.531 -142.761 173.248 -72.1306 183.826 PRESSAVG: 923000 -41.6276 33.1383 11.6347 33.1383 69.8353 55.8701 11.6347 55.87 -27.1546 GPRESSAVG: 923000 -43.111 28.0666 10.0855 37.6467 71.1909 55.4363 11.8041 56.3536 -26.574 TIMING: 923000 CPU: 2771.49, 0.00298352/step Wall: 2771.49, 0.00298352/step, 3.37884 hours remaining, 209.636719 MB of memory in use. ENERGY: 923000 743.9839 2149.7539 1931.0479 133.1537 -206451.2686 17969.2238 0.0000 0.0000 34295.3270 -149228.7784 299.5096 -183524.1054 -149130.2447 299.5599 5.4616 39.3401 558296.2171 0.3510 0.5020 PRESSURE: 923200 -178.534 136.846 53.3438 136.846 -173.871 -69.1773 53.3444 -69.179 -199.34 GPRESSURE: 923200 -123.578 2.14766 28.9193 153.525 -136.216 41.689 113.957 -38.4139 -175.696 PRESSAVG: 923200 43.2325 14.1874 52.3001 14.1874 -42.4417 12.2293 52.3001 12.2293 43.9279 GPRESSAVG: 923200 44.4005 17.1452 51.6793 10.2435 -43.7975 11.1299 53.3548 13.1805 43.5367 TIMING: 923200 CPU: 2772.09, 0.00299357/step Wall: 2772.09, 0.00299357/step, 3.39005 hours remaining, 209.636719 MB of memory in use. ENERGY: 923200 740.3849 2033.0566 1922.4841 114.1492 -206332.9797 17758.4709 0.0000 0.0000 34466.4107 -149298.0231 301.0037 -183764.4339 -149195.4226 299.4855 -183.9149 -145.1634 558350.2211 14.9062 14.7133 PRESSURE: 923400 -152.69 119.233 -43.5144 119.233 -291.422 27.5948 -43.5154 27.5954 93.4588 GPRESSURE: 923400 -156.745 20.346 -15.9081 126.24 -255.02 64.3474 -71.9482 -8.01169 158.891 PRESSAVG: 923400 -13.1979 48.3392 11.3093 48.3393 33.8858 14.8698 11.3092 14.8698 -39.8869 GPRESSAVG: 923400 -13.5853 48.8934 11.3276 48.5308 33.1052 15.2719 10.4587 13.3068 -38.2717 TIMING: 923400 CPU: 2772.68, 0.00297234/step Wall: 2772.68, 0.00297234/step, 3.36585 hours remaining, 209.636719 MB of memory in use. ENERGY: 923400 771.6870 2129.4903 1915.0799 100.3221 -206203.4692 17812.4447 0.0000 0.0000 34169.8499 -149304.5952 298.4138 -183474.4451 -149203.4724 299.1227 -116.8843 -84.2912 557347.7921 -6.3996 -6.2506 PRESSURE: 923600 -44.2074 160.702 4.82394 160.7 127.906 -16.8534 4.82332 -16.8526 1.12166 GPRESSURE: 923600 -20.2236 148.652 -20.1949 150.897 201.069 7.76665 83.6323 61.9636 -4.64526 PRESSAVG: 923600 -53.3717 42.3439 -39.6372 42.3439 40.4831 38.3399 -39.6372 38.3399 29.5041 GPRESSAVG: 923600 -52.9474 41.58 -38.3496 43.6869 41.5425 37.7411 -39.8262 39.9161 28.1221 TIMING: 923600 CPU: 2773.28, 0.00296631/step Wall: 2773.28, 0.0029663/step, 3.35885 hours remaining, 209.636719 MB of memory in use. ENERGY: 923600 722.3090 2128.2974 1912.9352 129.0478 -206312.6066 17666.7409 0.0000 0.0000 34506.0220 -149247.2544 301.3497 -183753.2764 -149150.1149 299.9039 28.2734 58.7335 555027.0022 5.5385 5.5724 PRESSURE: 923800 -72.7041 55.7736 -34.2923 55.7729 -90.7068 127.506 -34.2929 127.507 -54.0413 GPRESSURE: 923800 16.8045 82.1269 -33.0972 -27.8444 -106.712 94.5935 -31.5808 149.131 -38.7201 PRESSAVG: 923800 -16.2438 37.967 -0.61176 37.9671 60.1888 38.162 -0.611755 38.1621 0.589601 GPRESSAVG: 923800 -16.6814 40.0095 -1.15449 36.8616 60.6233 38.1386 -1.07675 36.5699 1.10304 TIMING: 923800 CPU: 2773.87, 0.00294583/step Wall: 2773.87, 0.00294583/step, 3.3355 hours remaining, 209.636719 MB of memory in use. ENERGY: 923800 752.2362 2102.8462 1929.4168 101.3250 -206080.4931 17662.4486 0.0000 0.0000 34263.8658 -149268.3546 299.2349 -183532.2203 -149175.2991 299.8723 -72.4841 -42.8758 556237.3970 14.8449 15.0150 PRESSURE: 924000 -187.89 -54.8621 -49.7158 -54.8627 44.9713 46.155 -49.7175 46.1556 58.1312 GPRESSURE: 924000 -153.888 51.9348 -64.8202 -15.7784 72.18 155.336 -82.852 -17.9056 91.1566 PRESSAVG: 924000 -6.86785 -61.7022 -15.5529 -61.7023 66.0052 54.8019 -15.5529 54.802 -14.702 GPRESSAVG: 924000 -7.21879 -61.772 -14.0743 -61.0549 65.9914 57.3532 -15.0623 53.6044 -13.7726 TIMING: 924000 CPU: 2774.46, 0.00294957/step Wall: 2774.46, 0.00294957/step, 3.33957 hours remaining, 209.636719 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: 924000 775.9893 2038.7564 1919.2363 99.4347 -206158.2006 17792.2159 0.0000 0.0000 34321.3231 -149211.2450 299.7367 -183532.5681 -149121.0064 299.0338 -28.2624 3.1495 556316.3833 14.8118 15.0000 PRESSURE: 924200 91.8022 6.38637 287.293 6.3854 -1.06763 57.159 287.292 57.1593 117.738 GPRESSURE: 924200 99.5559 13.0995 240.84 4.96369 38.7433 -8.69753 281.085 65.0626 165.314 PRESSAVG: 924200 16.689 -2.76447 26.2483 -2.76447 29.2818 -9.56885 26.2482 -9.56891 -23.8487 GPRESSAVG: 924200 16.8217 -4.07352 26.4343 -4.10142 29.1011 -11.7582 27.036 -8.59592 -23.8048 TIMING: 924200 CPU: 2775.05, 0.00297386/step Wall: 2775.05, 0.00297386/step, 3.3669 hours remaining, 209.636719 MB of memory in use. ENERGY: 924200 758.7286 2064.3026 1925.3404 110.9718 -206101.4894 17911.9057 0.0000 0.0000 34199.2377 -149131.0026 298.6704 -183330.2404 -149031.6944 299.5319 69.4908 101.2045 557309.9461 7.3741 7.3727 LDB: ============= START OF LOAD BALANCING ============== 2778.57 LDB: ============== END OF LOAD BALANCING =============== 2778.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2778.57 LDB: ============= START OF LOAD BALANCING ============== 2778.86 LDB: Largest compute 4794 load 0.028930 is 24.6% of average load 0.117811 LDB: Average compute 0.001735 is 1.5% of average load 0.117811 LDB: TIME 2778.87 LOAD: AVG 0.117811 MAX 0.204813 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.852 MB LDB: TIME 2778.87 LOAD: AVG 0.117811 MAX 0.204813 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.852 MB LDB: TIME 2778.87 LOAD: AVG 0.117811 MAX 0.204813 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.852 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2778.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2778.87 PRESSURE: 924400 -164.403 -1.58201 -67.8731 -1.58057 143.739 12.4928 -67.8737 12.4935 -35.0983 GPRESSURE: 924400 -181.759 42.4994 67.2989 -62.4837 190.478 17.3992 -87.9705 39.98 30.6606 PRESSAVG: 924400 26.5273 49.947 -22.2066 49.9471 -36.8595 36.2991 -22.2067 36.2992 57.5274 GPRESSAVG: 924400 26.4544 50.2118 -24.1229 51.1058 -36.1601 37.2002 -23.3277 37.2876 57.2547 TIMING: 924400 CPU: 2775.66, 0.00303089/step Wall: 2775.66, 0.00303089/step, 3.43131 hours remaining, 207.945312 MB of memory in use. ENERGY: 924400 748.1100 2106.1886 1913.9886 104.8125 -206287.3088 17869.4995 0.0000 0.0000 34313.9802 -149230.7295 299.6725 -183544.7097 -149139.2844 299.5586 -18.5874 13.1264 556751.0277 15.7317 15.8497 PRESSURE: 924600 -39.7681 -8.90387 -44.9643 -8.90399 185.654 105.913 -44.965 105.912 23.0972 GPRESSURE: 924600 -30.3249 -0.772411 23.8114 11.7396 272.56 45.7688 -57.8271 145.649 13.7689 PRESSAVG: 924600 9.95398 -20.6909 -45.2362 -20.691 47.8053 33.7205 -45.2362 33.7205 -43.0987 GPRESSAVG: 924600 10.7525 -23.0251 -45.5349 -20.0227 47.0848 34.3525 -45.7873 33.0138 -42.571 TIMING: 924600 CPU: 2776.25, 0.00296727/step Wall: 2776.25, 0.00296727/step, 3.35912 hours remaining, 208.218750 MB of memory in use. ENERGY: 924600 746.1108 2119.7820 1966.5289 118.5092 -206404.0987 17901.0777 0.0000 0.0000 34424.9874 -149127.1027 300.6420 -183552.0901 -149037.3326 299.9309 56.3277 85.3348 556360.3995 4.8869 5.0888 PRESSURE: 924800 8.50701 220.291 -1.13612 220.291 103.489 -115.821 -1.13635 -115.822 -63.6518 GPRESSURE: 924800 56.0804 109.07 -30.4401 242.531 158.05 -152.986 -42.2379 -168.883 -67.1787 PRESSAVG: 924800 4.9591 35.175 -26.5559 35.1749 28.6352 -65.7572 -26.556 -65.7572 -78.8077 GPRESSAVG: 924800 4.47966 35.1321 -25.1371 34.4061 28.6401 -64.6138 -26.7913 -64.059 -78.6373 TIMING: 924800 CPU: 2776.84, 0.00295922/step Wall: 2776.84, 0.00295922/step, 3.34983 hours remaining, 208.218750 MB of memory in use. ENERGY: 924800 759.8286 2073.3938 1926.0540 119.3466 -206238.7697 17865.5693 0.0000 0.0000 34292.6172 -149201.9602 299.4860 -183494.5774 -149107.0277 299.5319 16.1147 48.9838 556871.8635 -15.0711 -15.1725 PRESSURE: 925000 -45.2894 -23.6364 12.6362 -23.6364 175.43 -8.66664 12.6367 -8.66606 94.2647 GPRESSURE: 925000 -6.40256 -19.7777 -65.7418 15.7062 200.355 -93.8029 64.157 111.69 130.775 PRESSAVG: 925000 -0.301294 56.3181 -2.56087 56.3181 48.9716 -23.1982 -2.56093 -23.1981 -35.0557 GPRESSAVG: 925000 0.00607599 57.7418 -2.34184 54.7329 49.0755 -24.6292 -2.88689 -23.5723 -35.6704 TIMING: 925000 CPU: 2777.43, 0.0029446/step Wall: 2777.43, 0.0029446/step, 3.33313 hours remaining, 208.218750 MB of memory in use. ENERGY: 925000 728.9448 2050.4892 1916.0137 119.8224 -206099.1734 17827.0485 0.0000 0.0000 34271.9765 -149184.8782 299.3057 -183456.8548 -149085.7155 299.6215 74.8017 108.2427 556788.1236 4.5382 4.4704 PRESSURE: 925200 186.966 105.257 9.94275 105.257 -25.956 46.2003 9.94264 46.1987 143.566 GPRESSURE: 925200 233.035 121.326 30.7063 46.9433 -9.28481 87.738 -25.9851 61.834 170.497 PRESSAVG: 925200 -5.83138 -2.75662 20.7623 -2.7566 17.1739 -9.41787 20.7624 -9.41803 13.5507 GPRESSAVG: 925200 -5.80701 -2.75476 19.946 -0.722601 17.2243 -8.5492 21.2776 -9.71798 13.5341 TIMING: 925200 CPU: 2778.03, 0.00297752/step Wall: 2778.03, 0.00297752/step, 3.37022 hours remaining, 208.218750 MB of memory in use. ENERGY: 925200 743.6817 2022.5792 1887.5844 123.9310 -206257.3037 17904.0858 0.0000 0.0000 34513.2723 -149062.1693 301.4130 -183575.4416 -148961.0557 299.3679 101.5252 131.4159 557022.2206 8.2977 8.3171 PRESSURE: 925400 32.2443 178.734 -90.3414 178.736 116.747 -170.716 -90.3413 -170.717 -228.03 GPRESSURE: 925400 60.2675 255.854 -116.624 173.794 134.49 -118.142 -105.463 -181.875 -172.367 PRESSAVG: 925400 21.4924 37.9216 -37.2013 37.9215 18.3424 11.3944 -37.2013 11.3944 -1.97119 GPRESSAVG: 925400 21.155 38.1596 -38.9705 37.4543 18.8029 10.8482 -35.3301 10.0842 -2.87758 TIMING: 925400 CPU: 2778.62, 0.00299117/step Wall: 2778.62, 0.00299117/step, 3.38551 hours remaining, 208.218750 MB of memory in use. ENERGY: 925400 736.5674 2078.1126 1907.7757 106.8700 -206148.5361 17791.4728 0.0000 0.0000 34313.4568 -149214.2809 299.6680 -183527.7377 -149118.0606 299.9418 -26.3464 7.4636 557996.0694 12.6212 12.3601 PRESSURE: 925600 -165.406 55.7873 155.2 55.7876 2.5851 1.33157 155.2 1.33361 -1.62671 GPRESSURE: 925600 -124.446 74.2694 216.245 37.5483 100.223 -20.9513 111.886 4.99832 -38.0429 PRESSAVG: 925600 -11.3042 3.64744 18.7765 3.64741 65.0471 -55.7586 18.7765 -55.7586 -49.4834 GPRESSAVG: 925600 -11.3079 4.27575 18.7253 3.2339 64.4061 -53.722 16.9615 -55.7543 -48.856 TIMING: 925600 CPU: 2779.22, 0.00297634/step Wall: 2779.22, 0.00297634/step, 3.36856 hours remaining, 208.363281 MB of memory in use. ENERGY: 925600 761.0651 2118.5605 1904.8232 121.1500 -205648.6372 17574.0451 0.0000 0.0000 33974.6064 -149194.3870 296.7087 -183168.9934 -149107.7096 299.3766 -54.8159 -20.7553 557582.8042 1.4198 1.4141 PRESSURE: 925800 249.296 -10.3569 57.7675 -10.3569 -0.852669 164.555 57.7678 164.554 -16.0756 GPRESSURE: 925800 258.217 -85.9075 119.587 38.9571 71.6067 159.26 104.681 93.3761 -2.02894 PRESSAVG: 925800 -17.9424 0.853793 10.5663 0.853799 25.9613 -8.51709 10.5663 -8.51714 -18.2297 GPRESSAVG: 925800 -18.0414 0.643388 10.6162 0.826181 25.8623 -11.3419 11.0634 -8.01618 -18.2033 TIMING: 925800 CPU: 2779.81, 0.00296172/step Wall: 2779.81, 0.00296172/step, 3.35184 hours remaining, 208.363281 MB of memory in use. ENERGY: 925800 779.6287 2118.3954 1927.4580 103.4155 -206138.5291 17987.8347 0.0000 0.0000 34066.5713 -149155.2253 297.5118 -183221.7966 -149067.2564 299.7368 77.4559 109.2649 557652.0015 -3.4036 -3.4608 PRESSURE: 926000 -79.3259 57.7818 -93.3573 57.7815 -152.302 110.833 -93.3575 110.835 -74.4513 GPRESSURE: 926000 45.1549 112.572 -204.418 33.0627 -170.795 132.071 54.3494 31.2622 -90.1603 PRESSAVG: 926000 32.3774 26.0851 7.41917 26.085 -10.1866 -19.7198 7.41914 -19.7198 12.7926 GPRESSAVG: 926000 33.1192 25.946 8.67876 27.3007 -10.1708 -21.4044 8.687 -17.4111 12.0414 TIMING: 926000 CPU: 2780.4, 0.00294592/step Wall: 2780.4, 0.00294592/step, 3.3338 hours remaining, 208.363281 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: 926000 771.4296 2091.9435 1940.9649 128.3366 -205991.7389 17799.0660 0.0000 0.0000 34037.0216 -149222.9767 297.2538 -183259.9983 -149126.1162 298.4757 -102.0265 -71.9334 557490.2161 11.6612 11.6633 PRESSURE: 926200 -91.22 89.4987 24.6638 89.4976 -201.894 -26.7771 24.6635 -26.7769 -284.962 GPRESSURE: 926200 -16.1948 4.3174 26.257 92.6718 -214.878 10.0968 102.055 -60.5383 -245.973 PRESSAVG: 926200 17.4608 22.5491 41.244 22.5491 5.18858 5.36496 41.244 5.36496 0.184063 GPRESSAVG: 926200 16.7575 20.972 40.348 20.9065 6.13101 5.86472 39.5571 3.94 -0.0992394 TIMING: 926200 CPU: 2780.99, 0.00296607/step Wall: 2780.99, 0.00296607/step, 3.35644 hours remaining, 208.363281 MB of memory in use. ENERGY: 926200 753.8550 2128.6863 1919.3561 115.7479 -206045.9576 17495.9229 0.0000 0.0000 34208.2577 -149424.1317 298.7492 -183632.3895 -149326.5052 299.1959 -192.6921 -159.0152 556639.2285 7.6111 7.5964 PRESSURE: 926400 -342.422 -50.9346 181.188 -50.9351 -100.443 32.9685 181.188 32.9669 -116.585 GPRESSURE: 926400 -324.452 2.70745 166.388 -116.122 -69.0546 56.2562 138.586 50.1946 -58.6253 PRESSAVG: 926400 -32.5493 -5.22678 55.1468 -5.22678 33.528 28.674 55.1467 28.6742 -3.01341 GPRESSAVG: 926400 -32.5331 -4.76293 56.6506 -4.87923 32.8332 31.3884 56.0894 27.8465 -2.19441 TIMING: 926400 CPU: 2781.59, 0.00299598/step Wall: 2781.59, 0.00299598/step, 3.39012 hours remaining, 208.363281 MB of memory in use. ENERGY: 926400 742.7641 2126.6472 1951.3155 110.5217 -205864.4769 17488.2450 0.0000 0.0000 33949.3501 -149495.6331 296.4881 -183444.9833 -149397.9717 298.8273 -186.4832 -150.7106 555874.7052 -0.6783 -0.6314 PRESSURE: 926600 -391.073 -128.585 59.6291 -128.583 -153.485 221.26 59.6289 221.259 -258.465 GPRESSURE: 926600 -357.025 -214.427 42.5287 -60.7148 -183.976 259.007 137.686 167.404 -163.367 PRESSAVG: 926600 -4.37954 -49.05 48.286 -49.0499 15.2841 2.32218 48.2861 2.32224 -15.6683 GPRESSAVG: 926600 -2.88675 -47.736 47.8974 -49.7567 14.4828 0.879235 47.6756 3.48634 -16.7061 TIMING: 926600 CPU: 2782.19, 0.00296582/step Wall: 2782.19, 0.00296582/step, 3.35582 hours remaining, 208.363281 MB of memory in use. ENERGY: 926600 766.5608 2106.9126 1955.8814 107.7387 -205864.4231 17338.7425 0.0000 0.0000 34293.7368 -149294.8504 299.4957 -183588.5871 -149198.5088 298.1643 -267.6744 -234.7891 556723.7004 -1.5879 -1.7033 PRESSURE: 926800 14.3334 -46.6791 -70.8288 -46.6797 -43.7467 64.3292 -70.8288 64.3287 -116.211 GPRESSURE: 926800 20.3857 77.844 -7.61136 -80.5832 -2.77386 98.6152 -4.69602 -11.6652 -65.7566 PRESSAVG: 926800 -14.7758 30.4963 -8.87739 30.4962 16.2142 31.2037 -8.87742 31.2038 69.9122 GPRESSAVG: 926800 -16.7648 30.0633 -9.20195 30.1391 16.6677 33.6037 -9.93316 29.6012 70.8311 TIMING: 926800 CPU: 2782.78, 0.00296694/step Wall: 2782.78, 0.00296694/step, 3.35693 hours remaining, 208.363281 MB of memory in use. ENERGY: 926800 742.6851 2138.6882 1947.1907 110.3372 -205910.4120 17588.1531 0.0000 0.0000 34046.5135 -149336.8444 297.3367 -183383.3579 -149233.8753 298.7676 -48.5415 -16.0483 556090.1153 23.7835 23.5780 PRESSURE: 927000 159.883 -174.161 -55.5261 -174.16 -40.3992 -10.8693 -55.5255 -10.8674 80.9592 GPRESSURE: 927000 183.698 -115.404 -79.6349 -185.824 -26.3184 -8.29284 -88.5335 10.0739 134.355 PRESSAVG: 927000 -25.4128 39.3538 7.94278 39.3539 -21.1548 -12.8721 7.94281 -12.8721 54.5125 GPRESSAVG: 927000 -25.0179 39.6862 7.26297 39.8414 -20.8397 -14.1959 8.84394 -13.1844 54.3787 TIMING: 927000 CPU: 2783.38, 0.00301582/step Wall: 2783.38, 0.00301582/step, 3.41207 hours remaining, 208.363281 MB of memory in use. ENERGY: 927000 754.7377 2158.5549 1915.9276 127.5941 -206330.4803 17794.6446 0.0000 0.0000 34162.3927 -149416.6287 298.3487 -183579.0214 -149319.7694 298.8038 66.8142 97.2446 555052.5215 2.6483 2.8404 PRESSURE: 927200 -73.8466 -138.129 46.1379 -138.129 -137.891 2.25495 46.1377 2.25674 -136.257 GPRESSURE: 927200 18.3064 -89.9043 30.1856 -155.752 -89.1142 33.3352 117.143 25.73 -178.982 PRESSAVG: 927200 14.7749 -59.835 -22.7017 -59.8349 -89.4189 -45.0791 -22.7017 -45.0791 74.6369 GPRESSAVG: 927200 15.7207 -59.6239 -20.6003 -59.4263 -88.6619 -45.7298 -23.1067 -43.5712 72.8922 TIMING: 927200 CPU: 2783.99, 0.00303271/step Wall: 2783.99, 0.00303271/step, 3.431 hours remaining, 208.363281 MB of memory in use. ENERGY: 927200 729.4068 2161.8348 1916.8427 115.1092 -206405.2295 17701.3260 0.0000 0.0000 34236.8501 -149543.8599 298.9989 -183780.7100 -149448.8749 297.6579 -115.9981 -83.2632 556221.7253 -0.0024 -0.0163 PRESSURE: 927400 -9.37102 -33.8688 -144.52 -33.869 -229.859 -110.197 -144.521 -110.199 -158.248 GPRESSURE: 927400 6.91196 -4.17369 -5.14829 -85.2159 -152.726 -94.9901 -191.912 -91.6292 -146.139 PRESSAVG: 927400 -15.0961 -42.2261 -20.4743 -42.2262 47.1688 -21.7653 -20.4743 -21.7654 19.4843 GPRESSAVG: 927400 -14.7463 -43.0699 -20.1241 -41.7326 46.6927 -22.0151 -20.8955 -23.096 19.3566 TIMING: 927400 CPU: 2784.59, 0.00302584/step Wall: 2784.59, 0.00302584/step, 3.42307 hours remaining, 208.363281 MB of memory in use. ENERGY: 927400 749.0180 2112.0433 1947.5222 138.3861 -205973.3344 17488.3477 0.0000 0.0000 34221.2663 -149316.7507 298.8628 -183538.0171 -149231.6778 299.1762 -132.4926 -97.3176 555866.8440 17.1856 17.1010 PRESSURE: 927600 -141.595 -95.8178 -49.4752 -95.8181 -277.086 53.4669 -49.475 53.4654 107.452 GPRESSURE: 927600 -171.206 -127.178 -51.3867 -91.8398 -192.72 81.1818 -54.8682 1.13329 148.831 PRESSAVG: 927600 -30.4086 -38.0142 27.2105 -38.0144 20.2048 55.3261 27.2105 55.3262 -5.16132 GPRESSAVG: 927600 -31.6234 -38.6624 25.1639 -38.8331 20.3691 53.784 27.0774 58.8268 -3.7909 TIMING: 927600 CPU: 2785.2, 0.00301684/step Wall: 2785.2, 0.00301684/step, 3.41271 hours remaining, 208.363281 MB of memory in use. ENERGY: 927600 755.0917 2082.6621 1936.9806 104.5498 -206059.0197 17507.0634 0.0000 0.0000 34481.1213 -149191.5509 301.1322 -183672.6721 -149097.4956 299.6725 -103.7430 -71.6982 554496.3681 -5.1217 -5.0151 PRESSURE: 927800 -101.798 -122.856 -9.91686 -122.855 -11.0442 32.8489 -9.9173 32.8494 -27.8562 GPRESSURE: 927800 34.2576 -79.1265 48.7286 -181.177 -27.1393 136.269 -74.6846 -47.2214 -40.8553 PRESSAVG: 927800 16.4257 -3.18515 45.5987 -3.18505 33.9803 27.7456 45.5987 27.7456 -25.4068 GPRESSAVG: 927800 16.7525 -1.34867 47.048 -6.03206 33.436 29.9662 44.9573 24.8889 -25.3591 TIMING: 927800 CPU: 2785.81, 0.00305855/step Wall: 2785.81, 0.00305855/step, 3.45973 hours remaining, 208.363281 MB of memory in use. ENERGY: 927800 752.3695 2119.1407 1929.2711 119.3510 -206231.0623 17709.4281 0.0000 0.0000 34526.9621 -149074.5399 301.5325 -183601.5020 -148980.5210 300.1037 -46.8996 -11.2457 555913.7204 8.3331 8.2765 PRESSURE: 928000 -122.088 8.37157 -115.757 8.3715 -199.334 45.2041 -115.759 45.2046 -100.201 GPRESSURE: 928000 -48.5398 -37.2484 -135.723 98.111 -192.689 -37.5765 -73.7547 52.8235 -88.2359 PRESSAVG: 928000 -24.2053 -13.7702 0.942052 -13.77 -4.81539 -40.027 0.941994 -40.0269 62.3302 GPRESSAVG: 928000 -22.9855 -16.1298 0.999474 -9.88622 -5.01267 -40.7904 2.48469 -40.1664 61.7406 TIMING: 928000 CPU: 2786.41, 0.0030197/step Wall: 2786.41, 0.0030197/step, 3.41561 hours remaining, 208.363281 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: 928000 759.4593 2121.0495 1936.3685 116.2734 -205913.9882 17572.0646 0.0000 0.0000 34425.2954 -148983.4775 300.6447 -183408.7729 -148886.6776 300.3576 -140.5409 -109.8215 556237.9656 11.1032 11.2475 PRESSURE: 928200 47.7105 80.6269 -70.8308 80.6271 154.44 32.8936 -70.8309 32.8921 -299.02 GPRESSURE: 928200 118.975 21.407 -162.293 -10.3534 126.318 -14.9379 -0.741422 58.0847 -245.56 PRESSAVG: 928200 20.849 -15.385 -27.4991 -15.385 -43.9351 -2.83515 -27.4991 -2.83519 6.03581 GPRESSAVG: 928200 20.3695 -14.5388 -28.514 -16.5593 -43.2766 -2.68064 -27.1336 -1.72821 5.57087 TIMING: 928200 CPU: 2787.02, 0.00303291/step Wall: 2787.02, 0.00303291/step, 3.43039 hours remaining, 208.363281 MB of memory in use. ENERGY: 928200 703.1542 2021.6293 1950.4509 111.0518 -206084.2718 17658.4092 0.0000 0.0000 34467.4905 -149172.0859 301.0132 -183639.5765 -149069.7266 300.1693 -32.2897 -0.0890 556409.6060 -5.6834 -5.7787 LDB: ============= START OF LOAD BALANCING ============== 2790.54 LDB: ============== END OF LOAD BALANCING =============== 2790.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2790.54 LDB: ============= START OF LOAD BALANCING ============== 2790.84 LDB: Largest compute 4794 load 0.028181 is 23.9% of average load 0.117852 LDB: Average compute 0.001740 is 1.5% of average load 0.117852 LDB: TIME 2790.84 LOAD: AVG 0.117852 MAX 0.205938 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.027 MB LDB: TIME 2790.84 LOAD: AVG 0.117852 MAX 0.205938 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.23 MB LDB: TIME 2790.84 LOAD: AVG 0.117852 MAX 0.205938 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.23 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2790.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2790.85 PRESSURE: 928400 13.7497 21.3735 -30.6133 21.3734 -260.816 149.016 -30.6136 149.016 -220.741 GPRESSURE: 928400 19.8982 31.1062 -33.276 61.3612 -181.007 167.536 -89.5203 108.856 -206.668 PRESSAVG: 928400 48.8058 20.1535 -29.6449 20.1535 -43.0317 19.6749 -29.6449 19.6749 -29.2526 GPRESSAVG: 928400 46.7777 19.2534 -27.6463 20.8961 -41.6851 18.6437 -30.5835 19.0025 -28.5633 TIMING: 928400 CPU: 2787.63, 0.00305562/step Wall: 2787.63, 0.00305562/step, 3.45591 hours remaining, 206.628906 MB of memory in use. ENERGY: 928400 717.6020 1975.6196 1939.7946 113.1443 -205617.7101 17397.8701 0.0000 0.0000 34301.2757 -149172.4037 299.5616 -183473.6794 -149079.2459 299.2094 -155.9358 -122.5924 557787.9683 -7.8262 -7.8236 PRESSURE: 928600 42.4315 -127.059 72.6441 -127.058 145.07 272.715 72.6427 272.715 -19.7575 GPRESSURE: 928600 85.2295 -200.176 88.3681 -53.699 170.022 230.268 67.5085 281.861 14.485 PRESSAVG: 928600 64.9403 35.8992 15.1236 35.8992 29.9855 0.581837 15.1237 0.581944 -69.4185 GPRESSAVG: 928600 65.5386 37.318 12.6679 35.2274 28.4876 -0.884224 17.6961 3.32861 -68.109 TIMING: 928600 CPU: 2788.23, 0.00300136/step Wall: 2788.23, 0.00300136/step, 3.39437 hours remaining, 206.628906 MB of memory in use. ENERGY: 928600 745.7067 2110.1268 1936.9758 94.6811 -206304.8312 17951.9332 0.0000 0.0000 34064.9248 -149400.4826 297.4975 -183465.4074 -149301.2968 298.9687 55.9145 89.9120 558486.3269 8.5024 8.6391 PRESSURE: 928800 33.079 -136.128 13.8002 -136.127 70.0798 -25.2413 13.799 -25.2431 134.235 GPRESSURE: 928800 29.0764 -200.26 19.3303 -77.852 100.185 -9.72557 -3.3666 -78.3629 214.883 PRESSAVG: 928800 32.4756 -22.9882 -11.2333 -22.9882 -51.4368 16.3968 -11.2333 16.3967 -3.52629 GPRESSAVG: 928800 33.6134 -22.2067 -10.056 -23.3799 -51.8983 19.4541 -13.4115 13.4945 -4.00547 TIMING: 928800 CPU: 2788.83, 0.00301423/step Wall: 2788.83, 0.00301423/step, 3.40876 hours remaining, 206.628906 MB of memory in use. ENERGY: 928800 762.3744 2060.7829 1936.3723 98.5217 -206652.3753 18080.0194 0.0000 0.0000 34137.3915 -149576.9132 298.1303 -183714.3047 -149478.8618 298.4234 79.1311 114.7148 555909.7284 -7.4958 -7.4301 PRESSURE: 929000 374.378 102.848 -21.4845 102.846 125.53 -10.5799 -21.4853 -10.5815 -40.2624 GPRESSURE: 929000 452.47 114.603 25.0675 161.792 97.2576 53.589 -11.8277 -100.748 9.78994 PRESSAVG: 929000 47.1517 37.3405 -3.94373 37.3406 -36.0067 23.7871 -3.94371 23.7871 -10.3072 GPRESSAVG: 929000 46.6574 35.2139 -3.86762 38.6725 -34.9971 24.3225 -3.57313 21.9247 -10.6232 TIMING: 929000 CPU: 2789.43, 0.00298818/step Wall: 2789.43, 0.00298818/step, 3.37913 hours remaining, 206.628906 MB of memory in use. ENERGY: 929000 726.7982 2074.5757 1955.7241 121.9236 -206866.3144 18077.2825 0.0000 0.0000 34189.0401 -149720.9703 298.5814 -183910.0104 -149625.9490 298.7532 153.2151 186.5060 556316.3337 0.2793 0.3457 PRESSURE: 929200 69.0786 -2.07326 -31.2138 -2.07489 -197.38 -60.5555 -31.2139 -60.5548 151.03 GPRESSURE: 929200 100.377 -25.5121 -10.0036 15.1585 -187.623 -1.21077 -59.2202 -62.6439 222.807 PRESSAVG: 929200 69.7956 43.2884 -2.69787 43.2884 20.1572 -18.2002 -2.69787 -18.2001 -65.1387 GPRESSAVG: 929200 69.7288 46.593 -2.72559 43.1247 19.2927 -20.7159 -2.16731 -14.3974 -64.3627 TIMING: 929200 CPU: 2790.03, 0.00297692/step Wall: 2790.03, 0.00297692/step, 3.36623 hours remaining, 206.628906 MB of memory in use. ENERGY: 929200 754.4257 2076.3131 1943.1428 118.5836 -206618.3830 17967.6527 0.0000 0.0000 34011.4388 -149746.8262 297.0304 -183758.2650 -149658.4023 297.3254 7.5763 45.1871 557769.9440 8.2714 8.2196 PRESSURE: 929400 118.362 -44.8643 35.563 -44.8647 -146.819 16.5788 35.5619 16.5801 158.637 GPRESSURE: 929400 153.013 -131.387 8.72337 -62.1748 -70.7312 0.445359 86.3365 -20.7795 142.711 PRESSAVG: 929400 38.628 8.37294 12.4943 8.37287 -58.0451 29.4685 12.4942 29.4686 15.3415 GPRESSAVG: 929400 39.5167 5.70391 12.9678 7.60452 -58.6699 29.8317 10.3504 27.5357 14.9805 TIMING: 929400 CPU: 2790.62, 0.00296305/step Wall: 2790.62, 0.00296305/step, 3.35038 hours remaining, 206.628906 MB of memory in use. ENERGY: 929400 727.5725 2066.4705 1888.7413 115.8460 -206460.2601 17831.2900 0.0000 0.0000 34076.9700 -149753.3697 297.6027 -183830.3398 -149655.2626 297.1339 43.3934 74.9975 558604.3188 -1.3585 -1.3909 PRESSURE: 929600 285.926 4.5206 -121.45 4.51971 -115.409 -131.016 -121.451 -131.016 -281.34 GPRESSURE: 929600 281.6 -47.5998 -183.321 64.32 -32.6656 -134.042 -97.8613 -58.7146 -261.646 PRESSAVG: 929600 27.6281 -12.611 -6.33037 -12.611 -64.6813 -21.5726 -6.33037 -21.5725 22.3015 GPRESSAVG: 929600 27.1545 -13.7364 -6.22174 -11.1509 -65.0101 -21.5803 -4.86848 -20.7516 22.9705 TIMING: 929600 CPU: 2791.22, 0.00297525/step Wall: 2791.22, 0.00297525/step, 3.36401 hours remaining, 206.628906 MB of memory in use. ENERGY: 929600 757.8616 2087.4086 1927.1117 117.5294 -206505.1847 17743.2249 0.0000 0.0000 34100.5864 -149771.4620 297.8089 -183872.0484 -149675.7770 297.6597 -36.9410 -4.2371 556604.5537 -4.9173 -4.9617 PRESSURE: 929800 173.939 51.621 -25.2051 51.622 -144.866 -188.604 -25.2046 -188.606 -24.19 GPRESSURE: 929800 175.688 108.808 -56.0407 67.5121 -64.57 -122.654 4.05411 -160.809 -21.0054 PRESSAVG: 929800 17.6588 16.2742 29.9484 16.2743 7.47279 -12.0652 29.9483 -12.0652 -24.022 GPRESSAVG: 929800 17.1754 19.1558 29.3767 14.0059 8.00615 -12.2928 31.0153 -10.7801 -24.1067 TIMING: 929800 CPU: 2791.81, 0.00298033/step Wall: 2791.81, 0.00298033/step, 3.36959 hours remaining, 206.628906 MB of memory in use. ENERGY: 929800 727.0020 2081.8953 1937.4063 116.3435 -206386.6239 17718.1557 0.0000 0.0000 34081.5428 -149724.2784 297.6426 -183805.8212 -149627.6200 297.7223 1.6277 30.0376 556035.9813 0.3699 0.3583 PRESSURE: 930000 30.3439 -4.91703 211.16 -4.91659 -68.7668 -112.94 211.159 -112.941 101.128 GPRESSURE: 930000 39.4951 -13.5787 220.753 -24.9582 -21.1941 -109.372 193.051 -102.744 137.775 PRESSAVG: 930000 42.0982 12.0736 -0.705027 12.0735 -24.5507 -59.3155 -0.705086 -59.3155 1.79527 GPRESSAVG: 930000 41.987 12.0151 0.380575 12.6855 -24.6842 -60.4732 -3.29385 -59.1339 1.95942 TIMING: 930000 CPU: 2792.41, 0.0029787/step Wall: 2792.41, 0.0029787/step, 3.36759 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: 930000 745.2776 2068.8405 1917.3281 102.3327 -206553.6562 18012.6226 0.0000 0.0000 34098.2781 -149608.9766 297.7887 -183707.2547 -149514.3268 297.6750 20.9016 52.0255 557437.1660 6.4476 6.4207 PRESSURE: 930200 190.028 -39.1928 -42.9585 -39.1914 -161.371 22.4052 -42.9581 22.407 -137.33 GPRESSURE: 930200 169.382 -40.3073 -26.6231 -97.5509 -113.251 -110.525 -37.9056 64.4934 -76.6448 PRESSAVG: 930200 80.0888 -45.5982 22.8549 -45.5982 -8.44686 -40.8227 22.8549 -40.8226 -63.9765 GPRESSAVG: 930200 80.4729 -46.7613 21.0543 -46.1256 -8.90969 -41.3368 24.6917 -41.1889 -64.3136 TIMING: 930200 CPU: 2793, 0.0029603/step Wall: 2793, 0.0029603/step, 3.34662 hours remaining, 206.628906 MB of memory in use. ENERGY: 930200 782.6087 2140.7876 1925.5792 110.8493 -206636.3706 17937.9192 0.0000 0.0000 34283.3079 -149455.3188 299.4047 -183738.6267 -149361.0315 298.6405 -36.2244 -6.8378 556870.3670 2.5552 2.4165 PRESSURE: 930400 -227.575 -57.4228 158.614 -57.4228 -308.598 150.377 158.615 150.377 -80.0609 GPRESSURE: 930400 -111.306 -105.978 189.414 87.9414 -349.3 206.047 210.952 126.127 -68.3837 PRESSAVG: 930400 38.2632 9.12181 3.29983 9.12184 -87.2992 28.8537 3.29992 28.8537 37.1406 GPRESSAVG: 930400 37.8978 10.2426 4.3683 9.25525 -87.0554 27.3025 2.89435 29.254 37.1224 TIMING: 930400 CPU: 2793.6, 0.00299856/step Wall: 2793.6, 0.00299856/step, 3.38971 hours remaining, 206.628906 MB of memory in use. ENERGY: 930400 739.9612 2099.2252 1920.6893 108.3539 -206305.4369 17708.1566 0.0000 0.0000 34185.1963 -149543.8544 298.5478 -183729.0507 -149450.4904 298.0912 -205.4115 -176.3301 558370.7707 -3.9651 -4.0117 PRESSURE: 930600 81.2553 11.2102 -130.738 11.2105 156.495 15.7886 -130.738 15.7871 157.137 GPRESSURE: 930600 142.361 -77.1745 -142.2 -11.2284 136.233 111.056 -197.562 -21.051 198.837 PRESSAVG: 930600 1.0333 2.80968 -29.2368 2.80967 -110.537 28.4266 -29.2368 28.4266 80.1115 GPRESSAVG: 930600 1.58648 0.391997 -29.7453 5.12759 -110.065 30.8153 -30.1927 26.6449 78.7826 TIMING: 930600 CPU: 2794.2, 0.00302262/step Wall: 2794.2, 0.00302262/step, 3.41674 hours remaining, 206.628906 MB of memory in use. ENERGY: 930600 744.3693 2128.5826 1931.2192 120.5794 -206622.8698 18143.0803 0.0000 0.0000 34106.7402 -149448.2988 297.8626 -183555.0391 -149341.7572 298.7023 131.6292 159.1438 557389.7444 -9.7974 -9.8987 PRESSURE: 930800 134.352 -16.7446 80.2705 -16.744 -160.616 -135.442 80.2708 -135.441 -248.323 GPRESSURE: 930800 96.0389 11.7201 128.715 13.6983 -64.6147 -112.336 121.244 -133.614 -202.419 PRESSAVG: 930800 13.7046 -8.09221 -43.2877 -8.09209 4.04743 10.1789 -43.2877 10.1791 46.6718 GPRESSAVG: 930800 12.4792 -7.37656 -40.7194 -9.97971 3.48131 11.5318 -42.6009 9.59243 48.8402 TIMING: 930800 CPU: 2794.8, 0.00300143/step Wall: 2794.8, 0.00300143/step, 3.39261 hours remaining, 206.628906 MB of memory in use. ENERGY: 930800 739.1493 2133.0703 1919.9566 107.4798 -206254.5114 17720.1984 0.0000 0.0000 34295.8614 -149338.7956 299.5143 -183634.6570 -149248.2583 298.8117 -91.5290 -56.9984 557281.3862 21.4746 21.6003 PRESSURE: 931000 -270.717 -25.4361 -221.489 -25.4349 -172.927 40.4901 -221.49 40.4902 -55.8891 GPRESSURE: 931000 -239.144 -31.342 -258.917 15.5363 -124.366 27.9786 -278.267 21.1933 -52.3898 PRESSAVG: 931000 46.9938 45.3061 -23.7994 45.3061 -37.6701 7.86729 -23.7993 7.86718 5.65952 GPRESSAVG: 931000 47.9282 46.4851 -23.996 43.9721 -38.321 7.28008 -27.2508 8.96104 5.01123 TIMING: 931000 CPU: 2795.4, 0.002978/step Wall: 2795.4, 0.00297799/step, 3.36596 hours remaining, 206.628906 MB of memory in use. ENERGY: 931000 726.6251 2116.5819 1936.0674 131.3401 -206030.9884 17538.3332 0.0000 0.0000 34196.7114 -149385.3292 298.6484 -183582.0406 -149293.9320 299.1505 -166.5109 -138.6330 557524.5726 4.9944 4.8728 PRESSURE: 931200 -103.292 100.347 51.3607 100.347 -226.083 -55.9316 51.3606 -55.932 40.302 GPRESSURE: 931200 -90.3224 4.99736 59.8786 74.9609 -191.501 -99.9609 66.5144 -76.1751 77.7161 PRESSAVG: 931200 50.5893 4.16344 -34.7545 4.16342 -77.8237 14.3463 -34.7545 14.3463 2.52222 GPRESSAVG: 931200 50.3484 3.85955 -35.1467 6.13204 -77.1089 13.3489 -32.2919 13.7686 2.19505 TIMING: 931200 CPU: 2795.99, 0.00297727/step Wall: 2795.99, 0.00297727/step, 3.36498 hours remaining, 206.628906 MB of memory in use. ENERGY: 931200 719.3316 2125.2502 1939.8544 112.3492 -206050.5078 17732.9666 0.0000 0.0000 34104.6991 -149316.0567 297.8448 -183420.7557 -149219.5983 298.8950 -96.3576 -68.0359 558331.3401 -8.2374 -8.1885 PRESSURE: 931400 -217.076 43.9158 134.653 43.9151 -50.5465 43.9058 134.652 43.9029 51.1749 GPRESSURE: 931400 -186.724 -12.9119 108.439 86.3526 3.31463 10.281 162.595 52.0559 57.7927 PRESSAVG: 931400 -12.753 -51.5032 3.11003 -51.5032 -27.5108 -33.3474 3.11011 -33.3473 27.7491 GPRESSAVG: 931400 -13.697 -50.5933 3.90564 -50.4068 -27.6212 -31.5442 2.83474 -35.0124 28.583 TIMING: 931400 CPU: 2796.59, 0.0029943/step Wall: 2796.59, 0.0029943/step, 3.38406 hours remaining, 206.628906 MB of memory in use. ENERGY: 931400 744.6351 2179.4340 1922.3542 120.4545 -206057.4469 17755.7257 0.0000 0.0000 34134.0758 -149200.7676 298.1014 -183334.8433 -149108.0924 298.7353 -72.1492 -41.8724 558853.3747 -4.1716 -4.2450 PRESSURE: 931600 109.341 120.994 80.2852 120.993 -188.635 -82.2059 80.285 -82.2067 -134.279 GPRESSURE: 931600 120.54 111.136 133.928 117.292 -179.988 -119.946 64.4482 -107.985 -46.9646 PRESSAVG: 931600 -13.3702 -26.3289 33.8023 -26.3288 -107.502 -104.18 33.8023 -104.179 75.594 GPRESSAVG: 931600 -13.2492 -25.3549 32.3127 -28.9263 -108.11 -104.215 35.0097 -104.529 76.1594 TIMING: 931600 CPU: 2797.19, 0.00297321/step Wall: 2797.19, 0.00297321/step, 3.36006 hours remaining, 206.628906 MB of memory in use. ENERGY: 931600 735.2809 2095.2719 1953.2107 119.8951 -205949.8226 17758.1447 0.0000 0.0000 34216.0778 -149071.9414 298.8175 -183288.0192 -148977.8170 299.4825 -71.1911 -35.4707 558467.2494 -15.0926 -15.0667 PRESSURE: 931800 -58.6158 -22.937 75.7084 -22.9372 -5.62732 -171.49 75.7091 -171.488 -268.008 GPRESSURE: 931800 -2.64666 38.0489 55.5696 -68.1437 0.055196 -133.198 95.7396 -163.31 -230.809 PRESSAVG: 931800 0.941343 7.47702 -10.1029 7.47708 -12.6111 -51.1757 -10.1029 -51.1757 24.9433 GPRESSAVG: 931800 0.730236 7.46179 -9.65233 5.23799 -12.1952 -51.3927 -10.6035 -50.7011 24.835 TIMING: 931800 CPU: 2797.78, 0.00295829/step Wall: 2797.78, 0.00295829/step, 3.34304 hours remaining, 206.628906 MB of memory in use. ENERGY: 931800 762.0780 2125.6841 1899.3624 111.5461 -206066.6068 17774.4060 0.0000 0.0000 34375.9577 -149017.5726 300.2138 -183393.5303 -148922.1232 299.6423 -110.7505 -77.8002 558576.9097 4.4245 4.4567 PRESSURE: 932000 22.8294 -2.28096 -185.834 -2.2816 -180.226 -21.739 -185.834 -21.7395 -62.8262 GPRESSURE: 932000 26.7176 43.3079 -143.561 7.70487 -77.5198 9.98094 -149.114 -3.25286 -69.9575 PRESSAVG: 932000 54.4354 -45.4609 23.8977 -45.4609 -64.8759 -39.6142 23.8977 -39.6142 35.0693 GPRESSAVG: 932000 55.3696 -45.2139 24.1718 -42.1398 -65.9556 -40.0258 24.5327 -39.2665 35.412 TIMING: 932000 CPU: 2798.38, 0.0029942/step Wall: 2798.38, 0.00299419/step, 3.38344 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: 932000 771.6739 2063.2492 1956.4598 108.9439 -205913.1414 17732.2948 0.0000 0.0000 34361.6568 -148918.8629 300.0889 -183280.5197 -148813.7647 300.0654 -73.4077 -40.2533 558510.7997 8.2096 8.2753 PRESSURE: 932200 88.0877 -45.103 59.2312 -45.1036 181.014 167.353 59.231 167.353 232.509 GPRESSURE: 932200 167.605 -7.3509 52.4905 -54.0794 246.043 95.4541 92.0779 245.556 184.663 PRESSAVG: 932200 -26.949 -27.82 -19.1846 -27.82 19.2146 -26.091 -19.1847 -26.0911 1.03298 GPRESSAVG: 932200 -27.5397 -28.6013 -22.0697 -27.1397 19.4447 -25.0067 -18.5807 -25.3202 1.34744 TIMING: 932200 CPU: 2798.98, 0.00299904/step Wall: 2798.98, 0.00299904/step, 3.38874 hours remaining, 206.628906 MB of memory in use. ENERGY: 932200 735.4764 2123.3964 1920.1925 106.4309 -206401.3785 18090.6620 0.0000 0.0000 34306.4131 -149118.8071 299.6064 -183425.2202 -149018.3072 300.0210 167.2038 199.4370 557543.1504 -2.2338 -2.2492 LDB: ============= START OF LOAD BALANCING ============== 2802.49 LDB: ============== END OF LOAD BALANCING =============== 2802.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2802.5 LDB: ============= START OF LOAD BALANCING ============== 2802.8 LDB: Largest compute 4800 load 0.028504 is 24.2% of average load 0.117994 LDB: Average compute 0.001729 is 1.5% of average load 0.117994 LDB: TIME 2802.8 LOAD: AVG 0.117994 MAX 0.206161 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.898 MB LDB: TIME 2802.8 LOAD: AVG 0.117994 MAX 0.206161 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.969 MB LDB: TIME 2802.8 LOAD: AVG 0.117994 MAX 0.206161 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.969 MB LDB: ============== END OF LOAD BALANCING =============== 2802.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2802.81 PRESSURE: 932400 -105.17 -59.1137 -15.5373 -59.1128 -51.6674 52.8856 -15.5377 52.8846 -103.3 GPRESSURE: 932400 -138.402 -118.864 108.457 5.90865 -3.33638 19.4224 -173.326 181.627 -35.2478 PRESSAVG: 932400 -13.8137 8.36274 -72.8803 8.36275 -11.1872 5.1057 -72.8802 5.1057 43.3621 GPRESSAVG: 932400 -13.9598 8.42733 -71.4856 7.29082 -10.7673 1.72477 -74.5063 4.83693 43.2114 TIMING: 932400 CPU: 2799.59, 0.00304986/step Wall: 2799.59, 0.00304986/step, 3.446 hours remaining, 206.937500 MB of memory in use. ENERGY: 932400 723.4371 2140.5469 1907.8645 105.9264 -206026.1244 17726.0431 0.0000 0.0000 34278.9331 -149143.3734 299.3664 -183422.3064 -149051.9278 299.5664 -86.7126 -58.9954 557185.8852 6.1204 6.1614 PRESSURE: 932600 -32.3672 73.4522 5.15853 73.4503 -152.383 46.0231 5.15736 46.0203 -27.9391 GPRESSURE: 932600 -28.1897 147.309 23.5592 114.098 -119.871 -33.9886 4.53123 46.6987 33.6634 PRESSAVG: 932600 17.0318 -14.8138 28.8062 -14.8138 -22.0211 -10.0302 28.8063 -10.0302 -30.1688 GPRESSAVG: 932600 16.6149 -15.1589 28.5231 -13.9181 -22.0602 -7.45363 29.389 -9.79602 -29.2737 TIMING: 932600 CPU: 2800.19, 0.00298953/step Wall: 2800.19, 0.00298953/step, 3.37767 hours remaining, 206.937500 MB of memory in use. ENERGY: 932600 762.3472 2154.3136 1926.8844 117.7007 -206085.7034 17723.4361 0.0000 0.0000 34021.1824 -149379.8391 297.1154 -183401.0216 -149281.7944 299.3018 -70.8966 -38.1323 556435.3562 -11.7194 -11.5730 PRESSURE: 932800 -62.4731 7.23864 -42.6321 7.23793 111.364 -21.2096 -42.633 -21.2089 -65.8224 GPRESSURE: 932800 -30.6233 47.4106 -63.3841 -26.6499 160.317 -46.0563 -14.2776 43.6327 -41.2111 PRESSAVG: 932800 54.5546 -2.67359 2.75168 -2.6736 -39.9401 26.5321 2.75168 26.5321 0.482397 GPRESSAVG: 932800 56.059 -1.42978 3.80587 -3.49148 -39.861 27.9588 3.72417 27.4954 -0.607023 TIMING: 932800 CPU: 2800.79, 0.00300553/step Wall: 2800.79, 0.00300553/step, 3.39558 hours remaining, 206.937500 MB of memory in use. ENERGY: 932800 771.4597 2069.7783 1922.2660 98.6927 -206060.8808 17731.0604 0.0000 0.0000 34160.4257 -149307.1979 298.3315 -183467.6236 -149206.4616 298.8978 -5.6437 29.4941 557452.6575 5.0323 5.1970 PRESSURE: 933000 -167.315 87.5027 -4.19781 87.5022 -78.8797 145.936 -4.19772 145.937 -336.153 GPRESSURE: 933000 -169.367 150.844 109.19 3.22992 -62.6937 151.905 -51.4002 147.78 -265.052 PRESSAVG: 933000 22.5296 -10.7399 8.51639 -10.7399 10.3212 16.3795 8.51636 16.3796 9.60184 GPRESSAVG: 933000 20.3942 -11.5379 8.66851 -9.98704 11.131 15.7774 8.78928 14.9961 10.4627 TIMING: 933000 CPU: 2801.39, 0.00301753/step Wall: 2801.39, 0.00301753/step, 3.40897 hours remaining, 206.937500 MB of memory in use. ENERGY: 933000 773.2685 2103.0404 1938.6148 112.5266 -205712.8385 17400.1479 0.0000 0.0000 34030.5070 -149354.7334 297.1969 -183385.2404 -149251.3391 298.8366 -194.1158 -165.7040 558221.2220 14.1509 13.9959 PRESSURE: 933200 -94.5289 45.8455 28.3568 45.8448 62.7775 -41.2734 28.3563 -41.2727 53.2068 GPRESSURE: 933200 -89.1567 31.8918 65.5494 58.3493 116.631 46.1118 58.193 -54.0902 92.3038 PRESSAVG: 933200 21.7731 -6.71689 15.8676 -6.71683 -50.146 8.00857 15.8676 8.00853 20.4724 GPRESSAVG: 933200 22.905 -6.67612 14.9117 -7.11159 -50.5591 7.88873 13.8311 7.67189 19.6645 TIMING: 933200 CPU: 2801.99, 0.00300463/step Wall: 2801.99, 0.00300463/step, 3.39423 hours remaining, 206.937500 MB of memory in use. ENERGY: 933200 742.6389 2135.3715 1925.6611 117.3210 -206773.2721 17933.7843 0.0000 0.0000 34598.6793 -149319.8160 302.1589 -183918.4953 -149221.1651 298.8570 7.1518 39.9259 557328.9056 -2.6335 -2.6632 PRESSURE: 933400 88.5355 -144.378 -137.31 -144.378 198.891 80.0127 -137.309 80.0126 438.938 GPRESSURE: 933400 118.309 -102.726 -143.634 -129.036 269.671 62.1981 -90.4942 140.441 431.435 PRESSAVG: 933400 -15.5176 -40.6971 -20.8937 -40.6972 -33.9325 -29.178 -20.8937 -29.178 74.8203 GPRESSAVG: 933400 -16.0109 -40.6989 -19.0292 -39.826 -34.3929 -30.4108 -20.0842 -27.0848 75.3233 TIMING: 933400 CPU: 2802.6, 0.00301695/step Wall: 2802.6, 0.00301695/step, 3.40798 hours remaining, 206.937500 MB of memory in use. ENERGY: 933400 729.5193 2065.9183 1927.2673 118.5036 -206523.2049 18026.1480 0.0000 0.0000 34065.8339 -149590.0146 297.5054 -183655.8485 -149487.4333 298.7713 242.1217 273.1381 555345.4361 8.4568 8.3065 PRESSURE: 933600 132.902 -22.8201 193.402 -22.8195 -145.563 128.212 193.401 128.212 -290.321 GPRESSURE: 933600 144.514 14.9241 195.631 -135.245 -109.293 104.686 160.648 120.757 -230.577 PRESSAVG: 933600 21.411 -23.1385 -22.7047 -23.1385 -25.182 11.0642 -22.7047 11.0643 -7.38927 GPRESSAVG: 933600 21.7195 -21.9613 -23.0343 -23.2904 -26.0955 13.7892 -23.5384 7.56769 -6.53192 TIMING: 933600 CPU: 2803.2, 0.00303604/step Wall: 2803.2, 0.00303604/step, 3.42938 hours remaining, 206.937500 MB of memory in use. ENERGY: 933600 726.9345 2088.5013 1928.3341 104.8623 -206270.7509 17759.7281 0.0000 0.0000 34183.8088 -149478.5817 298.5357 -183662.3906 -149381.9848 297.8822 -100.9939 -65.1184 556085.3842 -3.7201 -3.6360 PRESSURE: 933800 125.831 9.46672 -11.0671 9.46693 -23.0924 103.995 -11.0671 103.996 -319.713 GPRESSURE: 933800 123.718 12.0615 6.23265 78.0561 29.7378 121.896 -73.8567 111.446 -249.553 PRESSAVG: 933800 31.7204 1.0629 2.71539 1.06284 53.6647 3.29354 2.7154 3.29361 -75.882 GPRESSAVG: 933800 31.6818 -1.72948 3.05985 1.50778 54.5818 1.99117 3.65125 4.46857 -76.7873 TIMING: 933800 CPU: 2803.81, 0.00302686/step Wall: 2803.81, 0.00302686/step, 3.41883 hours remaining, 206.937500 MB of memory in use. ENERGY: 933800 744.3978 2071.3110 1918.9055 107.5023 -206289.6287 17911.8208 0.0000 0.0000 34245.7088 -149289.9825 299.0763 -183535.6913 -149186.1945 298.8447 -72.3248 -32.0325 558265.2921 3.1677 3.1588 PRESSURE: 934000 -68.234 142.71 47.3239 142.71 -106.202 24.8447 47.3229 24.8436 -235.95 GPRESSURE: 934000 -96.9766 18.5353 61.0552 216.188 -24.787 -42.0759 2.10843 12.106 -189.447 PRESSAVG: 934000 -6.58898 68.089 -12.9117 68.0891 41.7574 -58.2757 -12.9118 -58.2757 -35.4983 GPRESSAVG: 934000 -5.82198 70.084 -11.3363 69.4291 41.0397 -58.933 -15.3914 -57.9874 -35.626 TIMING: 934000 CPU: 2804.42, 0.00304022/step Wall: 2804.42, 0.00304022/step, 3.43376 hours remaining, 206.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 934000 757.7643 2158.7921 1930.2264 106.3665 -206519.4148 17894.2825 0.0000 0.0000 34238.7272 -149433.2559 299.0153 -183671.9831 -149339.4586 298.7988 -136.7951 -103.7370 558736.3356 -0.1099 -0.1361 PRESSURE: 934200 67.5152 83.6001 109.603 83.5998 -141.251 -122.758 109.601 -122.758 162.883 GPRESSURE: 934200 89.9297 77.0549 169.324 126.157 -103.22 -60.368 80.4025 -121.139 206.755 PRESSAVG: 934200 39.1069 10.3234 35.1856 10.3234 18.5065 -39.1668 35.1856 -39.1668 -74.7714 GPRESSAVG: 934200 38.0961 8.90195 32.52 8.11419 20.1559 -38.2429 36.8 -40.7389 -75.2276 TIMING: 934200 CPU: 2805.02, 0.00303961/step Wall: 2805.02, 0.00303961/step, 3.4329 hours remaining, 206.937500 MB of memory in use. ENERGY: 934200 757.8172 2100.6182 1946.3980 112.2818 -206578.4231 17865.7019 0.0000 0.0000 34361.8390 -149433.7671 300.0905 -183795.6060 -149343.1233 298.9333 29.7157 64.4884 555718.2879 -5.7194 -5.6585 PRESSURE: 934400 -29.0799 -59.9188 67.3317 -59.9184 25.5076 -8.25704 67.3323 -8.25727 21.3726 GPRESSURE: 934400 -47.1413 -139.938 135.167 -25.8346 121.506 38.7425 38.1579 -0.167301 39.071 PRESSAVG: 934400 7.69201 15.0905 20.8955 15.0904 -8.76064 -25.8032 20.8954 -25.8032 5.30624 GPRESSAVG: 934400 8.00421 15.2426 19.2022 14.383 -9.30271 -27.1651 22.3858 -24.5669 5.88799 TIMING: 934400 CPU: 2805.63, 0.00300553/step Wall: 2805.63, 0.00300553/step, 3.39424 hours remaining, 206.937500 MB of memory in use. ENERGY: 934400 708.2231 2109.0467 1931.4404 113.0151 -206774.9416 17871.4832 0.0000 0.0000 34408.1075 -149633.6257 300.4946 -184041.7332 -149530.7867 298.7211 5.9334 37.8120 555340.9797 1.4125 1.5298 PRESSURE: 934600 -10.5381 224.517 -2.35429 224.517 -74.369 -66.7886 -2.35431 -66.7886 -382.263 GPRESSURE: 934600 58.0288 218.191 -61.9214 146.825 -66.538 -169.919 -42.851 35.7137 -369.155 PRESSAVG: 934600 -7.03578 10.46 1.27597 10.4599 6.146 -2.36514 1.27606 -2.36508 -8.45043 GPRESSAVG: 934600 -6.78111 8.8555 5.12401 12.412 6.37555 -0.519046 -1.43616 -5.00511 -8.95628 TIMING: 934600 CPU: 2806.23, 0.00304149/step Wall: 2806.23, 0.00304149/step, 3.43469 hours remaining, 206.937500 MB of memory in use. ENERGY: 934600 733.6744 2109.5733 1884.6514 100.6437 -206170.1643 17511.0719 0.0000 0.0000 34141.6765 -149688.8731 298.1678 -183830.5495 -149593.9130 298.6781 -155.7233 -125.8880 556345.3816 -3.1134 -3.1206 PRESSURE: 934800 121.345 56.21 -64.8255 56.2116 -22.9793 -64.0672 -64.8255 -64.068 130.556 GPRESSURE: 934800 148.24 37.0146 -84.6721 96.8062 26.2615 -2.29836 -32.2403 -108.11 156.487 PRESSAVG: 934800 16.1833 -35.9286 -34.4159 -35.9286 -6.4571 21.2939 -34.416 21.2939 -49.9254 GPRESSAVG: 934800 15.0068 -34.6957 -39.1545 -36.5241 -6.89468 19.3092 -31.9411 24.5485 -48.6182 TIMING: 934800 CPU: 2806.84, 0.00301192/step Wall: 2806.84, 0.00301192/step, 3.40113 hours remaining, 206.937500 MB of memory in use. ENERGY: 934800 765.4274 2050.9329 1942.9735 103.6699 -206526.8183 17891.1075 0.0000 0.0000 34125.4534 -149647.2538 298.0261 -183772.7071 -149552.0712 299.0217 76.3072 110.3294 556436.8752 -13.3997 -13.5020 PRESSURE: 935000 98.4554 31.9494 -63.0701 31.949 332.734 -128.573 -63.0709 -128.573 262.506 GPRESSURE: 935000 184.783 54.8996 -97.7216 13.3819 306.838 -142.489 -13.5917 -107.924 316.093 PRESSAVG: 935000 15.6312 24.6139 -25.4604 24.6139 20.2808 -0.956841 -25.4605 -0.956737 -12.213 GPRESSAVG: 935000 15.6926 23.6608 -22.9379 25.7521 20.7278 0.45687 -26.2475 -2.73799 -12.6335 TIMING: 935000 CPU: 2807.43, 0.00299334/step Wall: 2807.43, 0.00299334/step, 3.37998 hours remaining, 206.937500 MB of memory in use. ENERGY: 935000 777.8463 2047.1387 1946.0541 107.1018 -206531.6156 18134.8792 0.0000 0.0000 34064.3188 -149454.2767 297.4922 -183518.5955 -149352.1356 299.1356 231.2317 269.2380 555217.0952 7.8996 7.9290 PRESSURE: 935200 -238.219 -97.9922 -47.5734 -97.992 -278.901 84.464 -47.5735 84.4639 -209.096 GPRESSURE: 935200 -226.584 -153.731 -132.913 -54.5939 -240.742 111.627 -5.4273 69.3876 -152.343 PRESSAVG: 935200 -60.4405 -40.231 -34.6681 -40.2312 -19.8744 -30.8317 -34.6682 -30.8315 47.648 GPRESSAVG: 935200 -60.6836 -37.8865 -35.5501 -40.2438 -21.0491 -29.9701 -34.635 -30.0098 47.8105 TIMING: 935200 CPU: 2808.04, 0.00304972/step Wall: 2808.04, 0.00304972/step, 3.44347 hours remaining, 206.937500 MB of memory in use. ENERGY: 935200 769.2695 2096.8690 1956.2380 104.7651 -205854.8860 17424.3027 0.0000 0.0000 34075.3758 -149428.0659 297.5887 -183503.4417 -149335.1455 298.2971 -242.0719 -206.5565 557008.5772 -10.8890 -11.3074 PRESSURE: 935400 -262.602 86.0146 -70.3858 86.016 -70.6998 98.102 -70.3861 98.1018 -12.7969 GPRESSURE: 935400 -183.779 29.24 -74.2888 106.2 -39.4598 58.7011 -78.0234 138.221 -28.4732 PRESSAVG: 935400 -23.6607 -8.00684 -59.8386 -8.00691 45.834 8.01818 -59.8387 8.01813 -3.16937 GPRESSAVG: 935400 -24.2229 -8.02008 -59.4143 -10.5729 46.2901 6.85784 -59.5959 9.79315 -3.40834 TIMING: 935400 CPU: 2808.65, 0.0030419/step Wall: 2808.65, 0.0030419/step, 3.43447 hours remaining, 206.937500 MB of memory in use. ENERGY: 935400 779.3926 2078.1993 1928.7889 107.8131 -206429.1565 17790.9420 0.0000 0.0000 34070.3011 -149673.7196 297.5444 -183744.0207 -149572.3782 298.3841 -115.3661 -83.9039 557215.2350 6.3346 6.2196 PRESSURE: 935600 3.17276 28.681 -161.425 28.682 -201.369 -17.7751 -161.423 -17.7761 -27.9638 GPRESSURE: 935600 55.595 -17.8606 -155.716 59.6898 -178.641 -66.0531 -158.837 -26.0982 -6.64312 PRESSAVG: 935600 -0.385865 33.7095 -23.2095 33.7095 6.85621 58.1679 -23.2095 58.1679 -2.71133 GPRESSAVG: 935600 0.31614 33.9167 -22.2085 34.9566 6.66153 58.0146 -22.7853 54.9945 -3.31639 TIMING: 935600 CPU: 2809.25, 0.00301095/step Wall: 2809.25, 0.00301095/step, 3.39936 hours remaining, 206.937500 MB of memory in use. ENERGY: 935600 752.1499 2089.3694 1938.3155 119.7504 -206432.5370 17733.9469 0.0000 0.0000 34122.4024 -149676.6024 297.9994 -183799.0048 -149577.9849 298.2168 -75.3867 -43.2297 557656.7935 1.2530 1.2204 PRESSURE: 935800 21.3101 75.5473 230.34 75.5474 -36.1098 -201.872 230.34 -201.871 -20.426 GPRESSURE: 935800 63.6969 41.3166 218.343 64.6074 -19.9621 -210.226 234.175 -222.964 19.1223 PRESSAVG: 935800 -31.3414 14.3612 -2.58115 14.3612 14.3785 -10.0353 -2.58105 -10.0353 41.3636 GPRESSAVG: 935800 -31.5223 14.777 -2.83541 14.345 15.1798 -9.1049 -3.13694 -9.13311 40.9553 TIMING: 935800 CPU: 2809.86, 0.0030039/step Wall: 2809.86, 0.0030039/step, 3.39123 hours remaining, 206.937500 MB of memory in use. ENERGY: 935800 741.7674 2127.1206 1965.4748 109.0828 -206255.7589 17769.7041 0.0000 0.0000 33924.6736 -149617.9357 296.2726 -183542.6093 -149527.9972 297.6354 -11.7419 20.9524 556548.7209 8.1336 8.2043 PRESSURE: 936000 -200.772 -148.196 42.1095 -148.197 61.6621 -4.43299 42.1089 -4.43233 3.13215 GPRESSURE: 936000 -178.62 -174.39 112.381 -140.853 152.112 -4.3407 -28.6058 16.2597 -18.0481 PRESSAVG: 936000 -26.0679 -29.6306 33.3524 -29.6308 18.1353 -17.1019 33.3523 -17.102 1.81757 GPRESSAVG: 936000 -26.3233 -31.0141 34.5581 -30.3213 17.0251 -17.3267 33.3138 -15.9695 3.13579 TIMING: 936000 CPU: 2810.46, 0.00302461/step Wall: 2810.46, 0.00302461/step, 3.41445 hours remaining, 206.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 936000 726.9432 2082.3696 1925.7138 113.5798 -206578.8999 17815.9275 0.0000 0.0000 34360.4237 -149553.9422 300.0781 -183914.3659 -149455.3298 298.6858 -45.3260 -14.8521 557733.9719 -2.0383 -2.0541 PRESSURE: 936200 -174.986 -37.3 78.0509 -37.2997 -298.277 18.5749 78.0503 18.5772 -444.501 GPRESSURE: 936200 -128.388 -32.1705 80.7559 1.25116 -295.211 34.2834 67.2918 85.4743 -401.189 PRESSAVG: 936200 32.1371 -9.10598 -18.9919 -9.10595 46.5327 -44.7857 -18.9918 -44.7856 -71.7535 GPRESSAVG: 936200 32.5297 -8.139 -21.2987 -8.49257 46.8851 -45.3725 -18.8362 -46.2295 -72.7991 TIMING: 936200 CPU: 2811.05, 0.00297151/step Wall: 2811.05, 0.00297151/step, 3.35434 hours remaining, 206.937500 MB of memory in use. ENERGY: 936200 724.0736 2132.6271 1936.7478 110.7960 -205833.9331 17318.7842 0.0000 0.0000 34069.5809 -149541.3235 297.5381 -183610.9045 -149444.2083 297.8336 -305.9215 -274.9294 557639.0733 2.3055 2.2052 LDB: ============= START OF LOAD BALANCING ============== 2814.57 LDB: ============== END OF LOAD BALANCING =============== 2814.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2814.57 LDB: ============= START OF LOAD BALANCING ============== 2814.87 LDB: Largest compute 4800 load 0.027627 is 23.4% of average load 0.117861 LDB: Average compute 0.001728 is 1.5% of average load 0.117861 LDB: TIME 2814.87 LOAD: AVG 0.117861 MAX 0.205381 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.48 MB LDB: TIME 2814.87 LOAD: AVG 0.117861 MAX 0.205381 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.48 MB LDB: TIME 2814.87 LOAD: AVG 0.117861 MAX 0.205381 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.48 MB LDB: ============== END OF LOAD BALANCING =============== 2814.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2814.88 PRESSURE: 936400 23.0695 -47.97 35.0627 -47.9695 27.8773 96.7212 35.0625 96.7219 -182.2 GPRESSURE: 936400 -17.0299 -5.87742 34.2521 -39.7027 95.878 -32.8083 74.8966 125.083 -123.401 PRESSAVG: 936400 -23.3879 13.6163 -35.0334 13.6163 25.3571 -65.3321 -35.0334 -65.3322 -50.9083 GPRESSAVG: 936400 -23.7963 13.2407 -32.9287 14.4264 25.3237 -65.6884 -35.4026 -65.174 -50.1178 TIMING: 936400 CPU: 2811.66, 0.00302983/step Wall: 2811.66, 0.00302983/step, 3.42001 hours remaining, 208.023438 MB of memory in use. ENERGY: 936400 721.2052 2143.2297 1905.9553 121.9147 -206707.7737 17935.0262 0.0000 0.0000 34408.5505 -149471.8922 300.4984 -183880.4426 -149378.1957 298.3204 -43.7511 -14.8510 556949.6522 -16.3130 -16.1968 PRESSURE: 936600 99.4596 115.079 -40.042 115.078 47.9875 -132.73 -40.042 -132.732 -275.751 GPRESSURE: 936600 110.284 164.747 12.1339 123.238 46.5941 -69.9649 -52.0618 -85.922 -190.455 PRESSAVG: 936600 71.2761 49.9031 -0.586309 49.9032 41.2867 -86.8223 -0.586244 -86.8222 -76.6375 GPRESSAVG: 936600 70.9712 49.238 -2.6405 48.856 40.9022 -87.6677 -0.641186 -85.8376 -76.0682 TIMING: 936600 CPU: 2812.25, 0.00296991/step Wall: 2812.25, 0.00296991/step, 3.35221 hours remaining, 208.023438 MB of memory in use. ENERGY: 936600 732.7593 2152.3522 1936.3752 121.2514 -206439.6103 17839.6505 0.0000 0.0000 34235.1132 -149422.1083 298.9838 -183657.2215 -149318.2289 299.2221 -42.7680 -11.1923 557054.8850 11.9751 11.9351 PRESSURE: 936800 154.219 29.1663 -130.464 29.166 -149.459 -106.386 -130.463 -106.387 -44.915 GPRESSURE: 936800 224.618 6.16386 -150.168 38.774 -132.99 -64.548 -68.9458 -7.32293 -41.9172 PRESSAVG: 936800 53.8565 -5.24198 -33.2979 -5.24198 -19.0618 -5.6542 -33.2979 -5.65427 -27.7878 GPRESSAVG: 936800 52.8024 -6.16595 -32.3761 -4.3427 -18.0969 -5.31015 -32.1102 -6.77553 -27.9015 TIMING: 936800 CPU: 2812.86, 0.00300182/step Wall: 2812.86, 0.00300182/step, 3.38805 hours remaining, 208.023438 MB of memory in use. ENERGY: 936800 803.6113 2163.9854 1941.1070 114.3692 -206599.2454 17996.0124 0.0000 0.0000 34276.0453 -149304.1148 299.3412 -183580.1601 -149206.2508 299.1860 -13.3851 16.5701 556164.5001 2.3356 2.2680 PRESSURE: 937000 6.09065 -31.7609 131.09 -31.7591 300.647 -14.5684 131.09 -14.57 139.662 GPRESSURE: 937000 38.1611 -86.0033 195.726 -63.9152 338.085 63.0722 -5.27607 3.86827 171.958 PRESSAVG: 937000 -3.7343 -3.69751 -10.2683 -3.69759 61.0142 80.8567 -10.2682 80.8567 -23.8493 GPRESSAVG: 937000 -2.58138 -1.61566 -9.63717 -3.53981 62.1294 84.1384 -11.5503 79.9612 -25.6035 TIMING: 937000 CPU: 2813.46, 0.0030191/step Wall: 2813.46, 0.0030191/step, 3.40739 hours remaining, 208.023438 MB of memory in use. ENERGY: 937000 760.0493 2133.1180 1934.3405 102.9738 -206601.0958 18100.6805 0.0000 0.0000 34374.1095 -149195.8243 300.1976 -183569.9338 -149104.8006 299.4757 148.7999 182.7346 555771.8896 11.1435 11.3148 PRESSURE: 937200 -80.5343 45.4167 108.686 45.4169 262.894 -10.6619 108.686 -10.6619 75.4023 GPRESSURE: 937200 -74.0722 94.3548 68.5357 30.3528 314.389 15.9958 32.7894 -13.7799 117.051 PRESSAVG: 937200 -40.1068 -1.14017 -14.4476 -1.14018 43.939 3.65927 -14.4476 3.65923 10.8707 GPRESSAVG: 937200 -41.411 -2.03828 -16.3425 -0.440145 43.0646 0.587835 -13.8909 5.71446 12.8762 TIMING: 937200 CPU: 2814.06, 0.00302791/step Wall: 2814.06, 0.00302791/step, 3.41716 hours remaining, 208.023438 MB of memory in use. ENERGY: 937200 738.1741 2150.3636 1954.3172 108.5236 -206476.5265 17938.3047 0.0000 0.0000 34522.8670 -149063.9762 301.4968 -183586.8433 -148964.3983 300.4532 85.9207 119.1227 556455.2344 4.9010 4.8433 PRESSURE: 937400 154.862 19.9735 -83.8827 19.9744 -217.226 -90.1521 -83.8835 -90.1509 317.745 GPRESSURE: 937400 185.346 7.55674 -154.768 18.5144 -139.44 39.9796 -107.473 -181.411 321.323 PRESSAVG: 937400 -28.7752 -46.2219 -17.0325 -46.2219 -5.18206 12.1809 -17.0324 12.181 -11.1042 GPRESSAVG: 937400 -28.8285 -46.9185 -15.3406 -47.2777 -5.58354 13.9861 -16.4326 11.7319 -11.2114 TIMING: 937400 CPU: 2814.67, 0.0030439/step Wall: 2814.67, 0.0030439/step, 3.43504 hours remaining, 208.023438 MB of memory in use. ENERGY: 937400 786.2045 2073.4640 1923.5495 112.9936 -206451.5183 18068.1378 0.0000 0.0000 34468.9533 -149018.2156 301.0259 -183487.1689 -148917.3383 299.7047 85.1268 122.4095 557397.4065 -15.0205 -15.2078 PRESSURE: 937600 1.77862 60.1244 -134.242 60.1247 36.8716 -55.8004 -134.241 -55.8004 2.29044 GPRESSURE: 937600 64.485 60.2863 -128.645 52.6011 13.337 -86.5041 -205.568 -67.5492 72.0969 PRESSAVG: 937600 -13.5397 -11.7145 -80.0332 -11.7144 21.4972 -13.6696 -80.0332 -13.6697 30.6645 GPRESSAVG: 937600 -11.9337 -10.6531 -81.0301 -12.4576 20.7182 -14.1064 -79.1364 -15.1073 30.0443 TIMING: 937600 CPU: 2815.28, 0.00302774/step Wall: 2815.28, 0.00302774/step, 3.41664 hours remaining, 208.023438 MB of memory in use. ENERGY: 937600 771.4085 2133.3416 1918.3645 127.6699 -206576.1819 18076.9829 0.0000 0.0000 34373.4466 -149174.9680 300.1919 -183548.4146 -149083.1138 300.1626 13.6469 49.9730 556814.8974 12.8740 12.9429 PRESSURE: 937800 29.2516 74.4084 -106.831 74.408 -6.0599 -54.6559 -106.831 -54.656 9.74128 GPRESSURE: 937800 51.985 196.145 -4.90459 32.8808 -9.52826 -89.0461 -196.8 22.1804 86.3686 PRESSAVG: 937800 -27.9822 22.1264 -21.4646 22.1263 63.7779 0.568094 -21.4646 0.568032 -18.9718 GPRESSAVG: 937800 -28.8152 20.7959 -22.302 22.9456 64.0476 0.446808 -21.9369 1.51864 -17.9289 TIMING: 937800 CPU: 2815.88, 0.00301779/step Wall: 2815.88, 0.00301779/step, 3.40524 hours remaining, 208.023438 MB of memory in use. ENERGY: 937800 753.1843 2127.7029 1926.1141 110.5838 -206258.0828 17822.5323 0.0000 0.0000 34326.1381 -149191.8272 299.7787 -183517.9654 -149093.5174 299.7494 10.9777 42.9418 556778.4331 5.6079 5.7678 PRESSURE: 938000 -188.548 -2.15779 109.823 -2.1585 -61.8985 -18.5247 109.822 -18.5245 280.413 GPRESSURE: 938000 -122.286 15.9916 83.1009 -38.9353 -58.6552 8.28721 68.3307 13.9291 288.755 PRESSAVG: 938000 -12.1608 -29.0308 -16.4894 -29.0308 -57.7226 6.51023 -16.4894 6.51031 71.3935 GPRESSAVG: 938000 -12.0872 -27.8915 -14.6984 -30.0056 -58.7361 4.97884 -16.5038 6.54913 72.1518 TIMING: 938000 CPU: 2816.49, 0.0030547/step Wall: 2816.49, 0.0030547/step, 3.44672 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: 938000 774.4397 2075.7465 1921.7445 132.9176 -206442.8056 17892.7496 0.0000 0.0000 34351.5106 -149293.6971 300.0003 -183645.2077 -149198.7324 300.3360 9.9890 35.9379 557281.5362 0.5033 0.4428 PRESSURE: 938200 -94.8458 -174.079 -5.26241 -174.079 -46.9252 8.19681 -5.26254 8.19694 -133.907 GPRESSURE: 938200 -80.7525 -132.555 -36.1423 -154.529 -60.3181 -56.8517 -8.81471 89.8027 -50.7909 PRESSAVG: 938200 -29.0846 9.61515 -22.9495 9.61513 5.53262 6.23433 -22.9495 6.23437 -15.517 GPRESSAVG: 938200 -28.4214 9.8141 -22.7498 10.427 6.01924 6.52398 -24.1995 6.33592 -17.0659 TIMING: 938200 CPU: 2817.09, 0.00299145/step Wall: 2817.09, 0.00299145/step, 3.37518 hours remaining, 208.023438 MB of memory in use. ENERGY: 938200 753.5495 2126.3531 1894.2319 102.9534 -206345.0105 17776.9591 0.0000 0.0000 34306.3751 -149384.5884 299.6061 -183690.9635 -149281.1786 299.4039 -91.8928 -63.9538 558157.4032 -13.0230 -13.1560 PRESSURE: 938400 -41.346 39.4555 -43.2801 39.4551 -235.671 70.0951 -43.2796 70.0962 -31.1567 GPRESSURE: 938400 -61.4359 23.836 30.4718 88.3469 -148.73 25.2552 -107.112 165.59 -9.81298 PRESSAVG: 938400 -36.7316 34.1381 -46.4542 34.138 20.0702 14.133 -46.4541 14.1331 3.37827 GPRESSAVG: 938400 -35.6605 34.9336 -48.4702 32.6917 19.7723 13.7421 -45.6873 15.1935 2.02703 TIMING: 938400 CPU: 2817.69, 0.0029694/step Wall: 2817.69, 0.0029694/step, 3.35014 hours remaining, 208.023438 MB of memory in use. ENERGY: 938400 748.9885 2113.5348 1897.2847 116.1400 -206481.2581 17793.4486 0.0000 0.0000 34337.5424 -149474.3191 299.8783 -183811.8616 -149373.5424 299.1642 -102.7246 -73.3261 556451.4198 -4.4277 -4.6204 PRESSURE: 938600 -155.47 -278.931 -4.6001 -278.93 -204.897 8.84965 -4.59921 8.85007 43.1556 GPRESSURE: 938600 -124.942 -252.295 -24.3654 -258.182 -150.152 88.4219 -29.6051 -18.5293 54.5238 PRESSAVG: 938600 -90.5428 1.74489 -69.2498 1.74493 30.364 -40.3342 -69.2498 -40.3341 55.7402 GPRESSAVG: 938600 -91.7588 -2.41463 -67.4158 4.90062 30.9852 -40.0635 -68.8178 -40.8914 56.697 TIMING: 938600 CPU: 2818.28, 0.00295491/step Wall: 2818.28, 0.00295491/step, 3.33363 hours remaining, 208.023438 MB of memory in use. ENERGY: 938600 754.8899 2089.9476 1959.7741 116.9036 -206410.3842 17832.9767 0.0000 0.0000 34115.4706 -149540.4216 297.9389 -183655.8922 -149439.8940 298.6086 -105.7370 -73.5234 557870.8176 -1.4795 -1.3589 PRESSURE: 938800 -195.822 73.7402 -107.757 73.739 -277.725 53.8294 -107.758 53.8297 -199.529 GPRESSURE: 938800 -130.258 123.036 -82.4824 -2.47434 -261.811 -90.8479 -124.94 96.6693 -179.383 PRESSAVG: 938800 -36.0968 2.04178 -9.10324 2.0418 -13.9996 -1.46377 -9.10322 -1.46374 50.3876 GPRESSAVG: 938800 -36.3539 3.22548 -7.71568 1.35054 -13.3367 -1.51434 -12.0849 -1.59683 50.0678 TIMING: 938800 CPU: 2818.87, 0.00298588/step Wall: 2818.87, 0.00298589/step, 3.36841 hours remaining, 208.023438 MB of memory in use. ENERGY: 938800 751.3539 2112.8220 1940.9396 119.2499 -206208.3075 17498.1822 0.0000 0.0000 34231.3391 -149554.4208 298.9508 -183785.7599 -149453.9459 298.3923 -224.3585 -190.4840 556672.6869 0.0971 0.1257 PRESSURE: 939000 -2.18845 -107.5 -48.8853 -107.499 37.1388 69.8164 -48.8857 69.8167 208.885 GPRESSURE: 939000 65.1863 -39.6639 -77.6949 -167.801 43.6297 147.357 -58.5987 1.66099 234.049 PRESSAVG: 939000 -13.334 -25.5862 -52.7673 -25.5863 1.24648 -48.9144 -52.7673 -48.9143 52.4302 GPRESSAVG: 939000 -12.7182 -22.46 -53.0017 -27.7089 0.667589 -47.889 -50.2508 -50.9559 52.289 TIMING: 939000 CPU: 2819.47, 0.00299784/step Wall: 2819.47, 0.00299784/step, 3.38173 hours remaining, 208.023438 MB of memory in use. ENERGY: 939000 729.5171 2048.3552 1940.4897 101.3002 -206424.5691 17773.2460 0.0000 0.0000 34281.2028 -149550.4581 299.3863 -183831.6610 -149458.0201 298.6549 81.2783 114.2884 555177.7074 13.4476 13.4128 PRESSURE: 939200 217.508 -51.968 97.4253 -51.9678 108.148 -18.177 97.4255 -18.1768 65.1187 GPRESSURE: 939200 256.103 -76.7187 84.0635 -44.7943 156.363 -34.3239 159.847 62.2828 86.7378 PRESSAVG: 939200 -41.0209 -29.5282 -30.3165 -29.5282 -45.6808 8.86095 -30.3166 8.861 57.942 GPRESSAVG: 939200 -41.579 -31.149 -32.6476 -29.2487 -44.9774 7.81855 -27.0492 10.942 58.2243 TIMING: 939200 CPU: 2820.07, 0.00300812/step Wall: 2820.07, 0.00300812/step, 3.39316 hours remaining, 208.023438 MB of memory in use. ENERGY: 939200 726.5145 2157.0695 1932.9659 113.8171 -206693.7203 17958.2484 0.0000 0.0000 34267.0952 -149538.0096 299.2631 -183805.1049 -149447.6098 298.2842 130.2584 166.4015 555594.2017 -9.5866 -9.4441 PRESSURE: 939400 39.8551 -72.7587 -51.3928 -72.7578 94.7442 3.09926 -51.3927 3.09897 262.448 GPRESSURE: 939400 91.3264 5.83234 -1.16766 -3.03082 134.136 -39.5561 -109.378 51.0972 270.201 PRESSAVG: 939400 55.1794 -9.40649 16.7969 -9.40655 -18.6632 -11.8969 16.797 -11.8968 1.17592 GPRESSAVG: 939400 56.4111 -9.10427 17.7769 -7.63341 -18.6915 -11.118 15.0795 -12.4771 0.348424 TIMING: 939400 CPU: 2820.68, 0.00302238/step Wall: 2820.68, 0.00302238/step, 3.40907 hours remaining, 208.023438 MB of memory in use. ENERGY: 939400 723.4715 2117.6747 1937.6401 119.3187 -206611.7825 17833.0311 0.0000 0.0000 34396.0296 -149484.6169 300.3891 -183880.6465 -149382.4387 298.2096 132.3490 165.2213 555108.1623 12.5641 12.6893 PRESSURE: 939600 103.956 -78.3137 49.1995 -78.3133 -132.17 -144.884 49.1995 -144.884 -17.3861 GPRESSURE: 939600 156.736 -177.199 77.1551 -65.6045 -129.567 -155.335 88.3558 -193.223 8.97908 PRESSAVG: 939600 96.9163 3.88472 15.6155 3.88462 -48.1657 -47.6314 15.6155 -47.6314 -36.7631 GPRESSAVG: 939600 96.0298 3.26018 16.0044 2.06178 -47.8762 -48.2563 13.915 -47.0487 -36.5277 TIMING: 939600 CPU: 2821.29, 0.00303351/step Wall: 2821.29, 0.00303351/step, 3.42146 hours remaining, 208.023438 MB of memory in use. ENERGY: 939600 766.9636 2138.0023 1962.5348 115.3091 -206157.2512 17759.0444 0.0000 0.0000 33880.7783 -149534.6188 295.8893 -183415.3971 -149444.7411 298.3211 -15.2000 12.0494 555636.1826 3.9958 3.8753 PRESSURE: 939800 -178.363 -86.3977 -20.1771 -86.3978 -140.366 -58.5892 -20.1772 -58.5876 -303.18 GPRESSURE: 939800 -147.567 48.9656 -49.3869 -109.157 -128.622 -111.738 -36.9938 -10.6701 -255.253 PRESSAVG: 939800 48.016 16.4725 26.7474 16.4724 15.5451 -27.4734 26.7474 -27.4734 -43.7913 GPRESSAVG: 939800 48.2069 16.8693 26.7929 16.1431 15.6983 -27.0955 27.8158 -27.8566 -43.8923 TIMING: 939800 CPU: 2821.89, 0.00302043/step Wall: 2821.89, 0.00302043/step, 3.40654 hours remaining, 208.023438 MB of memory in use. ENERGY: 939800 781.0070 2117.1963 1939.1742 115.2306 -206346.3191 17374.4475 0.0000 0.0000 34331.5047 -149687.7588 299.8256 -184019.2635 -149585.4875 298.5226 -207.3030 -177.1474 553918.0475 6.5899 6.6710 PRESSURE: 940000 145.235 -18.6791 -102.011 -18.6802 4.81341 47.7834 -102.011 47.7829 -103.434 GPRESSURE: 940000 122.233 -12.033 -112.568 -75.3658 111.311 27.4541 -101.582 107.95 -103.255 PRESSAVG: 940000 48.7542 3.3763 -11.0271 3.37634 11.6404 -28.5225 -11.027 -28.5225 -19.5274 GPRESSAVG: 940000 49.1229 4.89049 -10.6701 5.00208 12.3409 -28.8606 -11.6043 -28.344 -20.3193 TIMING: 940000 CPU: 2822.49, 0.00299552/step Wall: 2822.49, 0.00299552/step, 3.37828 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: 940000 737.2422 2126.7882 1950.1779 110.9105 -206774.1677 17966.0469 0.0000 0.0000 34232.4141 -149650.5878 298.9602 -183883.0018 -149542.8834 298.7621 15.5381 43.4296 554608.1763 13.6224 13.7149 PRESSURE: 940200 -39.5046 38.1415 -181.31 38.1426 -98.02 -35.66 -181.309 -35.6593 -17.8924 GPRESSURE: 940200 3.10998 -1.40693 -214.989 52.3964 -18.1486 -45.4502 -197.024 -19.9309 -29.4042 PRESSAVG: 940200 70.3564 -0.57838 -30.0723 -0.578431 -55.1467 15.6136 -30.0723 15.6138 -17.5936 GPRESSAVG: 940200 70.7495 -3.64069 -28.6014 -1.50452 -55.6882 15.1256 -32.185 14.3308 -16.6966 TIMING: 940200 CPU: 2823.09, 0.00299605/step Wall: 2823.09, 0.00299605/step, 3.37871 hours remaining, 208.023438 MB of memory in use. ENERGY: 940200 774.9224 2062.1108 1934.6892 107.1960 -206431.1935 17745.2902 0.0000 0.0000 34109.6166 -149697.3683 297.8878 -183806.9849 -149604.5443 297.7978 -51.8057 -14.8143 555215.2853 -0.7947 -0.5451 LDB: ============= START OF LOAD BALANCING ============== 2826.61 LDB: ============== END OF LOAD BALANCING =============== 2826.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2826.61 LDB: ============= START OF LOAD BALANCING ============== 2826.91 LDB: Largest compute 4800 load 0.028688 is 24.3% of average load 0.117965 LDB: Average compute 0.001716 is 1.5% of average load 0.117965 LDB: TIME 2826.91 LOAD: AVG 0.117965 MAX 0.207315 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.688 MB LDB: TIME 2826.91 LOAD: AVG 0.117965 MAX 0.207315 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.891 MB LDB: TIME 2826.91 LOAD: AVG 0.117965 MAX 0.207315 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.891 MB LDB: ============== END OF LOAD BALANCING =============== 2826.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2826.92 PRESSURE: 940400 83.8669 -104.217 197.142 -104.217 22.1352 59.4463 197.142 59.446 89.9971 GPRESSURE: 940400 172.59 -133.968 136.463 -20.3826 29.7201 53.5516 263.987 66.0597 90.1809 PRESSAVG: 940400 85.3549 9.01002 14.3362 9.01009 -7.11144 -33.3513 14.3363 -33.3514 -42.9614 GPRESSAVG: 940400 85.6205 10.7942 11.706 9.21502 -6.45946 -30.362 16.7261 -34.7775 -43.2678 TIMING: 940400 CPU: 2823.7, 0.0030597/step Wall: 2823.7, 0.00305969/step, 3.45032 hours remaining, 208.726562 MB of memory in use. ENERGY: 940400 729.8743 2051.8248 1905.3668 114.9392 -206412.0372 17820.1315 0.0000 0.0000 34055.4031 -149734.4975 297.4143 -183789.9006 -149640.3694 297.5462 65.3330 97.4970 555378.4761 11.7607 11.9644 PRESSURE: 940600 -36.8326 22.6082 -0.661442 22.6085 49.4565 204.122 -0.661671 204.123 -68.4675 GPRESSURE: 940600 -17.8713 -52.3454 -103.324 28.8875 103.541 166.15 29.5029 248.1 -49.0447 PRESSAVG: 940600 79.6223 19.1141 -32.8622 19.1141 -67.2395 81.6815 -32.8621 81.6815 -8.4686 GPRESSAVG: 940600 78.8498 18.1085 -32.4939 17.9005 -66.7719 77.8613 -30.7537 83.9149 -9.40217 TIMING: 940600 CPU: 2824.3, 0.0029977/step Wall: 2824.3, 0.0029977/step, 3.38024 hours remaining, 208.726562 MB of memory in use. ENERGY: 940600 762.6430 2114.2945 1929.6340 107.4908 -206638.9695 17907.7883 0.0000 0.0000 34182.7389 -149634.3799 298.5264 -183817.1188 -149537.3449 298.2222 -18.6145 12.2083 556805.5981 1.3047 0.8919 PRESSURE: 940800 -353.502 -21.4208 -137.775 -21.4188 98.493 -174.399 -137.775 -174.4 57.2224 GPRESSURE: 940800 -255.253 -94.8175 -55.5469 3.25456 89.8292 -111.156 -191.212 -187.278 81.9012 PRESSAVG: 940800 -0.129563 -15.9791 -58.9394 -15.9791 42.5459 -42.9202 -58.9393 -42.9202 -17.2552 GPRESSAVG: 940800 -0.191898 -16.8172 -58.4906 -14.2625 41.8085 -42.9439 -61.203 -44.5206 -16.3368 TIMING: 940800 CPU: 2824.9, 0.00299823/step Wall: 2824.9, 0.00299823/step, 3.38067 hours remaining, 208.726562 MB of memory in use. ENERGY: 940800 769.5065 2145.2515 1926.4208 113.9145 -206359.6592 17869.5726 0.0000 0.0000 34022.5136 -149512.4796 297.1271 -183534.9932 -149413.3279 298.4893 -65.9290 -27.8410 556739.4972 8.3870 8.4266 PRESSURE: 941000 -70.6537 193.327 17.9104 193.327 -52.3509 172.272 17.9093 172.272 236.247 GPRESSURE: 941000 -52.6746 229.297 39.0995 185.438 -6.99899 102.449 28.5827 109.902 276.346 PRESSAVG: 941000 -19.1495 19.8784 2.18452 19.8784 6.63749 -43.9268 2.18454 -43.9268 59.2483 GPRESSAVG: 941000 -19.6548 21.5286 2.20845 18.6272 7.00318 -43.8363 3.36619 -43.6234 59.7829 TIMING: 941000 CPU: 2825.51, 0.0030294/step Wall: 2825.51, 0.0030294/step, 3.41564 hours remaining, 208.726562 MB of memory in use. ENERGY: 941000 752.1862 2100.1501 1952.6414 121.7903 -206638.2339 17872.8308 0.0000 0.0000 34282.6966 -149555.9385 299.3993 -183838.6351 -149458.9471 298.0782 37.7475 72.2243 556730.7997 15.5788 15.7104 PRESSURE: 941200 -145.049 -58.6499 -22.6918 -58.6499 -11.5161 104.869 -22.6924 104.869 341.079 GPRESSURE: 941200 -79.9026 -22.1129 -48.1486 4.01722 -9.05751 25.6101 -59.1939 67.7268 365.032 PRESSAVG: 941200 -1.51561 3.29497 -4.90443 3.29499 -13.0559 -4.29733 -4.90448 -4.29741 27.9765 GPRESSAVG: 941200 -0.881308 2.89597 -5.96003 3.98514 -12.5683 -3.7173 -5.35372 -2.43466 26.537 TIMING: 941200 CPU: 2826.11, 0.00302188/step Wall: 2826.11, 0.00302188/step, 3.40701 hours remaining, 208.726562 MB of memory in use. ENERGY: 941200 725.1387 2168.9556 1946.3508 115.5681 -206528.9352 17858.3362 0.0000 0.0000 34063.1799 -149651.4059 297.4822 -183714.5858 -149555.9632 298.4246 61.5046 92.0239 555456.7993 4.4684 4.3624 PRESSURE: 941400 155.129 65.9039 0.689506 65.9041 226.512 -9.53891 0.687696 -9.54004 5.37692 GPRESSURE: 941400 135.787 107.169 -44.7733 37.3621 314.505 72.3177 148.703 -18.6014 48.1019 PRESSAVG: 941400 56.1482 -26.7844 22.6471 -26.7844 -52.7913 8.46294 22.6471 8.46309 11.8351 GPRESSAVG: 941400 56.2894 -26.5028 23.568 -27.0366 -52.8321 9.20945 22.6606 7.73521 11.5505 TIMING: 941400 CPU: 2826.72, 0.00303114/step Wall: 2826.72, 0.00303114/step, 3.41728 hours remaining, 208.726562 MB of memory in use. ENERGY: 941400 806.7355 2088.3550 1920.2254 119.2258 -206760.6938 18236.5624 0.0000 0.0000 33971.0963 -149618.4934 296.6780 -183589.5897 -149527.8354 297.7739 129.0060 166.1311 556138.6963 5.0640 5.0026 PRESSURE: 941600 -44.9479 -35.9019 -63.7427 -35.9012 -177.439 -98.3063 -63.7432 -98.3065 119.433 GPRESSURE: 941600 34.7244 -33.6069 -53.0201 -4.35287 -206.498 -93.261 -34.6728 -165.151 159.149 PRESSAVG: 941600 42.6636 -16.4568 5.20499 -16.4568 7.61437 -32.1134 5.20497 -32.1134 -49.132 GPRESSAVG: 941600 42.2434 -17.8352 7.25259 -17.3498 6.92251 -30.2263 4.5654 -33.7925 -47.9355 TIMING: 941600 CPU: 2827.32, 0.00304337/step Wall: 2827.32, 0.00304337/step, 3.43089 hours remaining, 208.726562 MB of memory in use. ENERGY: 941600 783.4978 2127.4277 1940.3571 109.9213 -206321.2919 17785.9054 0.0000 0.0000 34150.4242 -149423.7584 298.2441 -183574.1826 -149330.9094 298.1240 -34.3181 -4.2082 556952.5717 0.3820 0.4101 PRESSURE: 941800 -270.598 162.596 19.8172 162.596 -312.13 -3.12278 19.8149 -3.12244 -226.812 GPRESSURE: 941800 -250.955 196.876 32.5958 152.606 -270.222 36.108 74.3916 4.61401 -179.274 PRESSAVG: 941800 24.0869 47.3687 -3.90268 47.3687 -48.3345 -25.3506 -3.90265 -25.3507 0.747029 GPRESSAVG: 941800 24.6562 49.2086 -4.82544 48.5501 -48.2651 -28.2788 -4.9443 -22.6529 0.725831 TIMING: 941800 CPU: 2827.93, 0.00303477/step Wall: 2827.93, 0.00303477/step, 3.42103 hours remaining, 208.726562 MB of memory in use. ENERGY: 941800 719.1473 2114.9974 1922.2791 115.4256 -205799.0617 17316.5184 0.0000 0.0000 34042.6690 -149568.0249 297.3031 -183610.6939 -149471.3497 298.3038 -269.8466 -233.4835 558712.8856 -7.8335 -7.6277 PRESSURE: 942000 25.2936 -17.3361 79.2377 -17.3365 -23.609 85.6357 79.2368 85.6362 31.1272 GPRESSURE: 942000 36.614 -4.2906 184.711 -13.3161 22.8063 23.829 15.453 105.109 73.9747 PRESSAVG: 942000 10.065 12.1934 20.1857 12.1934 -38.1875 -24.4803 20.1857 -24.4802 -5.67843 GPRESSAVG: 942000 9.54763 10.9485 18.3152 12.1515 -37.3789 -24.1658 21.9313 -26.1577 -6.27988 TIMING: 942000 CPU: 2828.53, 0.0030056/step Wall: 2828.53, 0.0030056/step, 3.38798 hours remaining, 208.726562 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: 942000 735.9439 2092.7831 1930.5362 106.5175 -206638.3008 18007.1386 0.0000 0.0000 34073.4522 -149691.9293 297.5719 -183765.3815 -149594.3664 297.8116 10.9372 44.4650 558061.5107 -11.2670 -11.3704 PRESSURE: 942200 173.004 90.2656 36.5059 90.2651 -50.8361 -145.323 36.5072 -145.324 -190.619 GPRESSURE: 942200 181.145 85.2698 -22.1786 164.922 -1.0949 -206.773 105.195 -80.4039 -156.209 PRESSAVG: 942200 50.054 -16.4525 46.1647 -16.4525 -0.243464 -18.2183 46.1647 -18.2182 -35.0295 GPRESSAVG: 942200 51.3749 -18.2652 47.2154 -16.0121 -1.56551 -17.765 45.8599 -18.4077 -34.8567 TIMING: 942200 CPU: 2829.14, 0.00302323/step Wall: 2829.14, 0.00302323/step, 3.40769 hours remaining, 208.726562 MB of memory in use. ENERGY: 942200 705.4493 2128.6782 1935.4445 111.1322 -206633.5366 18058.2171 0.0000 0.0000 34071.6904 -149622.9249 297.5565 -183694.6153 -149526.6411 297.6913 -22.8171 7.9471 558053.5285 4.9270 4.9843 PRESSURE: 942400 -108.628 -110.97 59.2925 -110.969 -76.5327 27.0145 59.2929 27.0138 82.5282 GPRESSURE: 942400 -51.6401 -137.566 71.9346 -54.0797 -65.9438 52.2277 56.1215 56.8209 108.498 PRESSAVG: 942400 -41.2773 17.1674 17.282 17.1674 47.2681 46.8674 17.2819 46.8672 49.965 GPRESSAVG: 942400 -42.8618 17.2311 17.7114 17.1066 48.0909 47.6447 18.3875 47.6824 49.8974 TIMING: 942400 CPU: 2829.74, 0.00299851/step Wall: 2829.74, 0.00299851/step, 3.37965 hours remaining, 208.726562 MB of memory in use. ENERGY: 942400 762.8456 2037.1113 1943.6963 121.7768 -206544.6759 17794.6681 0.0000 0.0000 34189.1529 -149695.4248 298.5824 -183884.5777 -149599.4429 297.9837 -34.2107 -3.0286 558205.2544 18.6519 18.3755 PRESSURE: 942600 -63.4087 1.58598 91.3431 1.58516 -166.849 23.0168 91.3439 23.0169 -104.095 GPRESSURE: 942600 -20.6614 41.5553 132.023 7.17001 -101.588 10.6258 -26.1648 0.424653 -102.613 PRESSAVG: 942600 -5.11284 -40.7391 4.673 -40.7392 -2.2173 17.0118 4.67292 17.0118 -13.4079 GPRESSAVG: 942600 -5.38168 -39.746 4.41213 -40.2162 -1.6746 17.1658 3.6371 17.001 -13.8229 TIMING: 942600 CPU: 2830.34, 0.00300387/step Wall: 2830.34, 0.00300387/step, 3.38552 hours remaining, 208.726562 MB of memory in use. ENERGY: 942600 772.9147 2065.8547 1946.4187 119.6741 -206504.7529 17917.8493 0.0000 0.0000 34082.5471 -149599.4943 297.6514 -183682.0415 -149498.2232 298.4062 -111.4511 -74.9541 557220.4125 -6.9127 -6.9597 PRESSURE: 942800 -57.2906 -23.8998 -145.986 -23.8995 -198.245 136.88 -145.987 136.879 -69.2122 GPRESSURE: 942800 -50.6807 -18.6176 -168.356 -94.8653 -151.694 130.954 -137.65 158.632 -25.8654 PRESSAVG: 942800 8.54679 -41.8938 -1.59587 -41.8939 -10.3072 43.9077 -1.59598 43.9076 -45.8896 GPRESSAVG: 942800 8.85145 -41.5141 -1.78612 -42.8276 -11.2472 42.9804 -1.34722 44.4267 -46.1725 TIMING: 942800 CPU: 2830.94, 0.00302051/step Wall: 2830.94, 0.00302051/step, 3.40412 hours remaining, 208.726562 MB of memory in use. ENERGY: 942800 742.0080 2083.0843 1924.1223 106.6836 -206470.7985 17814.7552 0.0000 0.0000 34258.1115 -149542.0335 299.1846 -183800.1450 -149437.0573 298.1693 -108.2494 -76.0801 557076.4532 -15.8833 -16.1894 PRESSURE: 943000 100.222 106.894 -105.176 106.895 -46.306 232.29 -105.178 232.291 -52.4578 GPRESSURE: 943000 119.954 101.496 -116.026 102.608 -1.33076 249.286 -144.784 174.971 -24.6123 PRESSAVG: 943000 -9.62143 -2.86504 -16.7099 -2.86501 -80.1913 132.59 -16.7098 132.59 55.5302 GPRESSAVG: 943000 -9.86619 -2.26556 -16.0503 -2.38177 -79.4216 133.501 -15.9819 131.988 55.5181 TIMING: 943000 CPU: 2831.55, 0.00304385/step Wall: 2831.55, 0.00304385/step, 3.43025 hours remaining, 208.726562 MB of memory in use. ENERGY: 943000 737.7317 2097.8476 1918.7560 99.0549 -206567.1621 17957.9767 0.0000 0.0000 34232.3306 -149523.4646 298.9595 -183755.7952 -149425.6470 298.3900 0.4862 31.3369 556633.7804 -11.4275 -11.2565 PRESSURE: 943200 174.974 121.885 81.795 121.884 79.8728 -107.178 81.7946 -107.179 96.3984 GPRESSURE: 943200 113.88 225.738 -41.2426 33.7823 187.279 -82.0422 26.5931 -201.769 150.655 PRESSAVG: 943200 -41.7398 -25.1881 -63.2284 -25.188 10.7813 50.4787 -63.2284 50.4787 36.5169 GPRESSAVG: 943200 -42.7567 -25.3482 -63.5471 -25.6221 11.4392 50.2665 -64.0136 50.0665 37.1815 TIMING: 943200 CPU: 2832.15, 0.00301822/step Wall: 2832.15, 0.00301822/step, 3.4012 hours remaining, 208.726562 MB of memory in use. ENERGY: 943200 733.4009 2036.3634 1908.8722 107.5614 -206595.5412 18176.8030 0.0000 0.0000 34050.7316 -149581.8086 297.3735 -183632.5402 -149477.1621 297.6022 117.0818 150.6047 556860.0325 1.8528 1.9547 PRESSURE: 943400 88.1831 -51.9806 -272.092 -51.9819 -217.043 -3.57257 -272.092 -3.57169 -7.0744 GPRESSURE: 943400 124.709 -11.5849 -167.052 -71.076 -190.468 -3.04214 -295.838 -2.51309 14.3212 PRESSAVG: 943400 -24.8181 -38.765 -67.8795 -38.765 -27.0415 -15.6491 -67.8795 -15.649 60.3233 GPRESSAVG: 943400 -22.8377 -38.1111 -66.4469 -39.2422 -28.8909 -16.3766 -68.8349 -14.4988 60.6029 TIMING: 943400 CPU: 2832.76, 0.00303814/step Wall: 2832.76, 0.00303814/step, 3.42348 hours remaining, 208.726562 MB of memory in use. ENERGY: 943400 751.8840 2091.9256 1898.5529 112.4689 -206335.7289 17941.8563 0.0000 0.0000 34114.7618 -149424.2794 297.9327 -183539.0413 -149334.3179 298.0716 -45.3114 -17.1457 558956.0370 2.8213 2.9581 PRESSURE: 943600 -189.936 42.7638 -30.7229 42.763 2.0719 -53.5018 -30.7244 -53.5016 -183.429 GPRESSURE: 943600 -145.976 31.7185 -9.2905 -19.3494 32.5597 -101.493 -38.2173 22.1934 -156.003 PRESSAVG: 943600 -23.939 21.1241 -47.2195 21.1241 -63.767 15.1543 -47.2194 15.1544 97.5456 GPRESSAVG: 943600 -24.3778 19.7102 -46.0852 20.3085 -62.5561 14.682 -47.1474 14.6325 97.0031 TIMING: 943600 CPU: 2833.37, 0.00305518/step Wall: 2833.37, 0.00305518/step, 3.4425 hours remaining, 208.726562 MB of memory in use. ENERGY: 943600 713.2168 2078.9989 1921.6715 107.2934 -206030.0704 17564.4267 0.0000 0.0000 34185.8545 -149458.6086 298.5536 -183644.4631 -149368.5668 298.2662 -123.7645 -89.8066 558265.0584 3.2799 3.3564 PRESSURE: 943800 -170.198 -70.9332 66.7038 -70.9341 -157.652 -7.25854 66.7047 -7.25976 44.1076 GPRESSURE: 943800 -184.374 -94.0894 32.5652 -10.0387 -41.8513 -37.356 0.385621 -37.2155 39.5253 PRESSAVG: 943800 -35.1138 -26.9712 -90.5415 -26.9711 6.41649 -23.1961 -90.5414 -23.1962 -6.11146 GPRESSAVG: 943800 -35.912 -26.7097 -93.0276 -22.4364 6.96858 -24.2126 -88.4888 -22.7875 -6.05233 TIMING: 943800 CPU: 2833.98, 0.00301559/step Wall: 2833.98, 0.00301559/step, 3.39773 hours remaining, 208.726562 MB of memory in use. ENERGY: 943800 731.4230 2072.3400 1914.3457 108.3299 -206294.6533 17606.7827 0.0000 0.0000 34304.8871 -149556.5450 299.5931 -183861.4320 -149463.3141 298.4735 -94.5806 -62.2332 558026.5406 -11.6029 -11.6653 PRESSURE: 944000 -377.029 -13.4763 111.33 -13.4763 -432.71 89.0324 111.328 89.0318 -168.335 GPRESSURE: 944000 -335.385 -20.4175 133.321 -21.7693 -362.714 247.404 24.4828 35.9505 -170.503 PRESSAVG: 944000 3.65651 -41.8073 9.91083 -41.8073 -12.0258 -8.51244 9.91088 -8.51257 64.3094 GPRESSAVG: 944000 4.77837 -41.1592 11.9453 -43.695 -12.2556 -5.94177 7.7572 -8.97077 63.1415 TIMING: 944000 CPU: 2834.58, 0.00303231/step Wall: 2834.58, 0.00303231/step, 3.4164 hours remaining, 208.726562 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: 944000 737.3927 2056.8863 1934.4123 108.7481 -206080.2849 17478.3782 0.0000 0.0000 34532.4943 -149231.9730 301.5809 -183764.4673 -149142.1364 298.9431 -326.0247 -289.5342 558687.3469 18.6467 18.5547 PRESSURE: 944200 -314.639 4.20053 -6.34251 4.20133 9.5247 -173.337 -6.34142 -173.337 276.796 GPRESSURE: 944200 -241.797 8.21694 -30.8317 -33.0385 49.0819 -166.252 53.5107 -165.247 247.24 PRESSAVG: 944200 -24.3811 9.23861 -27.5601 9.23873 25.5528 20.6465 -27.5601 20.6465 29.1083 GPRESSAVG: 944200 -26.1643 7.16788 -28.1524 9.51508 25.1496 20.1367 -27.2711 21.6824 31.0644 TIMING: 944200 CPU: 2835.19, 0.00302544/step Wall: 2835.19, 0.00302544/step, 3.4085 hours remaining, 208.726562 MB of memory in use. ENERGY: 944200 769.4898 2092.9887 1924.5448 107.8706 -205889.1361 17718.1789 0.0000 0.0000 34159.8393 -149116.2240 298.3264 -183276.0633 -149021.8628 299.6119 -9.4396 18.1749 556269.5619 10.0933 10.0166 LDB: ============= START OF LOAD BALANCING ============== 2838.71 LDB: ============== END OF LOAD BALANCING =============== 2838.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2838.71 LDB: ============= START OF LOAD BALANCING ============== 2839.02 LDB: Largest compute 4794 load 0.026714 is 22.7% of average load 0.117910 LDB: Average compute 0.001733 is 1.5% of average load 0.117910 LDB: TIME 2839.02 LOAD: AVG 0.11791 MAX 0.210722 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.078 MB LDB: TIME 2839.02 LOAD: AVG 0.11791 MAX 0.210722 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.137 MB LDB: TIME 2839.02 LOAD: AVG 0.11791 MAX 0.210722 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.137 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2839.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2839.03 PRESSURE: 944400 -26.9762 81.3029 -8.7313 81.3035 -28.6855 -214.933 -8.73249 -214.932 169.467 GPRESSURE: 944400 17.978 38.8528 -1.44102 221.826 27.3453 -78.7946 41.8513 -257.438 178.903 PRESSAVG: 944400 -78.4149 27.5198 15.9092 27.5199 38.5657 -63.0598 15.9092 -63.0598 37.0617 GPRESSAVG: 944400 -76.8209 28.5879 16.669 28.345 38.17 -65.1966 17.9476 -63.1713 36.7894 TIMING: 944400 CPU: 2835.81, 0.00311127/step Wall: 2835.81, 0.00311127/step, 3.50502 hours remaining, 207.957031 MB of memory in use. ENERGY: 944400 743.2455 2110.9524 1938.7393 105.1776 -206063.8007 17716.6748 0.0000 0.0000 34339.8648 -149109.1464 299.8986 -183449.0112 -149010.5345 299.6225 37.9352 74.7421 555910.5756 -0.9291 -0.6205 PRESSURE: 944600 -395.176 7.92709 44.9415 7.92715 -248.745 -247.018 44.9418 -247.018 -91.9108 GPRESSURE: 944600 -265.788 -54.0299 161.926 15.5459 -227.442 -143.301 -89.1529 -272.182 -155.022 PRESSAVG: 944600 7.27956 -23.8102 -6.12935 -23.8102 23.0746 -6.85519 -6.12935 -6.85516 -17.121 GPRESSAVG: 944600 8.03895 -23.3661 -7.23747 -26.7484 23.2364 -6.62462 -6.84464 -5.38603 -17.8296 TIMING: 944600 CPU: 2836.41, 0.00301416/step Wall: 2836.41, 0.00301416/step, 3.39546 hours remaining, 208.160156 MB of memory in use. ENERGY: 944600 750.9511 2118.3830 1943.6646 125.0352 -205539.3005 17202.9813 0.0000 0.0000 34330.7937 -149067.4916 299.8194 -183398.2853 -148966.4748 299.5015 -245.2775 -216.0841 556956.7252 4.4110 4.4819 PRESSURE: 944800 -182.661 19.9607 162.934 19.9614 -173.191 -108.887 162.934 -108.889 81.2407 GPRESSURE: 944800 -192.872 49.9653 85.3083 -0.269233 -110.93 -118.471 87.7031 -80.7566 127.395 PRESSAVG: 944800 -0.479429 3.52257 22.9848 3.5226 25.8573 3.32558 22.9848 3.32562 26.2419 GPRESSAVG: 944800 -0.415248 5.01241 23.7148 2.4429 26.6688 3.88127 21.0029 2.41547 24.8081 TIMING: 944800 CPU: 2837.01, 0.00299555/step Wall: 2837.01, 0.00299555/step, 3.37432 hours remaining, 208.160156 MB of memory in use. ENERGY: 944800 734.6216 2088.8786 1936.2290 107.3312 -205982.5199 17654.8351 0.0000 0.0000 34329.3147 -149131.3097 299.8064 -183460.6244 -149030.6881 300.1874 -91.5373 -58.8023 557851.7593 17.2066 17.0206 PRESSURE: 945000 81.5696 2.39826 1.69714 2.39985 199.45 94.385 1.69794 94.3854 -111.473 GPRESSURE: 945000 115.683 -62.3084 23.3805 107.412 206.484 90.3024 11.3701 36.5063 -56.8569 PRESSAVG: 945000 28.2492 -15.083 -43.8291 -15.0831 10.7642 -13.5536 -43.8292 -13.5536 -54.7786 GPRESSAVG: 945000 28.2156 -17.5973 -45.9595 -11.7782 9.40721 -14.322 -42.7153 -13.7186 -53.5825 TIMING: 945000 CPU: 2837.6, 0.00295534/step Wall: 2837.6, 0.00295534/step, 3.32886 hours remaining, 208.160156 MB of memory in use. ENERGY: 945000 753.7444 2106.5924 1923.8685 105.8335 -205984.5066 17797.5112 0.0000 0.0000 34259.6171 -149037.3394 299.1978 -183296.9566 -148943.8664 299.7006 56.5155 88.4367 556841.0279 -5.2550 -5.3199 PRESSURE: 945200 52.939 -19.7856 60.4903 -19.7859 9.15713 68.3874 60.4903 68.3877 -120.034 GPRESSURE: 945200 8.61359 -2.26973 68.7921 -2.10028 81.6734 30.2677 37.917 35.7539 -50.6298 PRESSAVG: 945200 -9.67062 -5.00766 22.1321 -5.00767 53.4932 -9.55378 22.1321 -9.55391 -47.0927 GPRESSAVG: 945200 -10.238 -2.99052 22.5551 -6.47186 53.9379 -8.80441 21.809 -8.83182 -47.1749 TIMING: 945200 CPU: 2838.2, 0.00297556/step Wall: 2838.2, 0.00297556/step, 3.35147 hours remaining, 208.160156 MB of memory in use. ENERGY: 945200 729.1685 2105.0420 1970.1473 119.3428 -206147.1281 17754.0120 0.0000 0.0000 34337.9723 -149131.4432 299.8821 -183469.4155 -149039.0894 299.2354 -19.3127 13.2191 557535.7228 -1.0900 -1.1583 PRESSURE: 945400 -460.24 -1.60552 -42.1354 -1.60584 -157.209 20.1726 -42.1355 20.1723 -265.595 GPRESSURE: 945400 -406.318 -29.2761 87.0133 25.5948 -124.74 74.7669 -59.5627 -15.9394 -265.223 PRESSAVG: 945400 -37.9491 6.75245 3.10578 6.75236 94.6173 4.19446 3.10578 4.1945 -9.94055 GPRESSAVG: 945400 -38.5708 6.60155 4.58793 7.26685 94.0273 6.44599 4.42959 3.37944 -9.10918 TIMING: 945400 CPU: 2838.79, 0.00294728/step Wall: 2838.79, 0.00294728/step, 3.31946 hours remaining, 208.160156 MB of memory in use. ENERGY: 945400 737.8651 2120.6023 1934.4085 119.4278 -205732.5619 17419.5995 0.0000 0.0000 34293.4643 -149107.1943 299.4934 -183400.6587 -148996.8411 300.3008 -294.3478 -265.4271 559370.7949 15.5759 15.4491 PRESSURE: 945600 -7.1618 -48.5242 -58.4127 -48.5243 -38.4809 -148.506 -58.4129 -148.505 -59.5498 GPRESSURE: 945600 -2.48057 -56.9472 -37.5829 -117.772 9.25989 -88.1217 -97.279 -148.216 -18.0889 PRESSAVG: 945600 0.326704 -41.7576 -3.85896 -41.7576 49.9122 -36.6679 -3.859 -36.6679 1.81006 GPRESSAVG: 945600 0.280636 -43.8667 -5.34022 -39.9833 50.7948 -39.6387 -3.44965 -36.8879 1.34865 TIMING: 945600 CPU: 2839.39, 0.00300761/step Wall: 2839.39, 0.00300761/step, 3.38724 hours remaining, 208.160156 MB of memory in use. ENERGY: 945600 743.6342 2054.8689 1957.0700 125.7852 -205959.9712 17680.1101 0.0000 0.0000 34585.0528 -148813.4502 302.0399 -183398.5029 -148712.1953 299.9477 -35.0641 -3.7698 557712.5504 17.3497 17.4747 PRESSURE: 945800 -360.775 -15.2668 148.036 -15.2663 127.749 78.7893 148.036 78.7886 -251.925 GPRESSURE: 945800 -302.176 -113.35 150.456 10.8429 155.251 114.196 203.566 -4.84355 -246.485 PRESSAVG: 945800 -8.62235 -36.5127 48.1712 -36.5126 30.6243 47.4554 48.1712 47.4553 -45.5068 GPRESSAVG: 945800 -8.2222 -36.5907 49.3132 -38.2503 29.6807 46.9866 46.3083 48.5195 -44.9592 TIMING: 945800 CPU: 2839.99, 0.00302114/step Wall: 2839.99, 0.00302114/step, 3.40231 hours remaining, 208.160156 MB of memory in use. ENERGY: 945800 747.6759 2107.6784 1945.8009 114.8855 -205433.0519 17565.6051 0.0000 0.0000 34282.5106 -148668.8954 299.3977 -182951.4060 -148575.1740 299.8483 -161.6504 -131.1366 559622.7087 -7.8350 -7.8336 PRESSURE: 946000 72.9856 -84.275 69.5017 -84.2754 262.948 241.451 69.5011 241.453 -65.9458 GPRESSURE: 946000 122.166 -134.17 63.2058 29.3871 253.699 145.274 100.974 203.555 -2.81226 PRESSAVG: 946000 -45.7267 -47.0625 -1.04466 -47.0625 53.5848 16.087 -1.04474 16.0871 -14.1903 GPRESSAVG: 946000 -44.4249 -46.7992 0.170474 -45.7829 52.5666 17.3557 0.71731 16.2083 -14.3496 TIMING: 946000 CPU: 2840.6, 0.00301544/step Wall: 2840.6, 0.00301544/step, 3.39572 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: 946000 769.5210 2091.0923 1930.0338 112.5514 -205950.2494 17906.0252 0.0000 0.0000 34543.8651 -148597.1608 301.6802 -183141.0259 -148500.1260 300.6402 89.9960 124.3508 557916.7694 -2.1108 -2.0693 PRESSURE: 946200 -65.6173 -94.3902 35.7248 -94.3903 37.3082 14.6426 35.7263 14.6432 -167.906 GPRESSURE: 946200 -22.3752 -133.673 -29.1782 -11.4257 94.9898 130.345 38.6541 -87.6337 -176.973 PRESSAVG: 946200 -4.62162 -13.6831 48.7865 -13.6831 32.3657 -45.7316 48.7865 -45.7317 -26.8865 GPRESSAVG: 946200 -6.61473 -12.8435 47.0176 -14.791 33.1434 -44.487 47.1703 -47.2886 -26.6589 TIMING: 946200 CPU: 2841.2, 0.00302613/step Wall: 2841.2, 0.00302613/step, 3.40759 hours remaining, 208.160156 MB of memory in use. ENERGY: 946200 737.6922 2111.9600 1941.4225 114.3032 -205797.8647 17686.3034 0.0000 0.0000 34618.5531 -148587.6302 302.3324 -183206.1833 -148484.7695 301.4804 -65.4049 -34.7861 559337.0424 0.2859 -0.0434 PRESSURE: 946400 72.1185 173.642 76.2577 173.642 47.1175 -1.22984 76.2584 -1.23074 135.921 GPRESSURE: 946400 74.9219 183.018 -2.6519 94.6568 107.812 -97.2558 159.221 -16.7016 179.996 PRESSAVG: 946400 -3.83389 -25.6034 3.34011 -25.6033 -12.2037 -37.9318 3.34013 -37.9318 5.72747 GPRESSAVG: 946400 -4.25421 -25.4563 4.21637 -24.6191 -11.7492 -38.3994 3.27817 -36.5995 4.97932 TIMING: 946400 CPU: 2841.81, 0.00304523/step Wall: 2841.81, 0.00304523/step, 3.42893 hours remaining, 208.160156 MB of memory in use. ENERGY: 946400 731.4560 2062.8037 1965.1260 125.7828 -205905.1033 17797.2820 0.0000 0.0000 34703.6836 -148518.9692 303.0759 -183222.6528 -148421.6994 301.4308 85.0524 120.9100 558897.2648 -3.4367 -3.6747 PRESSURE: 946600 97.7712 -32.2761 -48.5176 -32.2757 -49.3054 -129.448 -48.5178 -129.448 31.8773 GPRESSURE: 946600 107.438 -7.71376 -68.06 -155.897 -30.8886 -57.0342 -51.2461 -139.385 98.8699 PRESSAVG: 946600 43.1272 -9.52196 14.7054 -9.52196 -56.8517 -25.9607 14.7053 -25.9608 32.2576 GPRESSAVG: 946600 44.4561 -8.45794 13.6446 -12.109 -56.7606 -27.2075 17.2443 -24.665 30.9904 TIMING: 946600 CPU: 2842.41, 0.00301507/step Wall: 2842.41, 0.00301507/step, 3.3948 hours remaining, 208.160156 MB of memory in use. ENERGY: 946600 790.0251 2063.4752 1953.1775 105.7184 -205800.2163 17788.5780 0.0000 0.0000 34491.7931 -148607.4491 301.2254 -183099.2421 -148509.3552 301.8649 26.7810 58.4729 558649.4776 6.1777 6.2286 PRESSURE: 946800 129.097 -5.68372 34.5494 -5.68388 70.7855 142.92 34.5505 142.923 -18.456 GPRESSURE: 946800 156.05 2.09007 57.4829 -49.0949 82.1581 205.836 100.306 97.5534 40.1226 PRESSAVG: 946800 -21.8386 -65.2087 -39.5702 -65.2088 -10.3219 64.2546 -39.5703 64.2546 31.3975 GPRESSAVG: 946800 -22.6227 -65.3225 -38.4015 -65.8 -10.1823 65.6001 -41.8413 63.7477 32.136 TIMING: 946800 CPU: 2843.02, 0.00301221/step Wall: 2843.02, 0.00301221/step, 3.39142 hours remaining, 208.160156 MB of memory in use. ENERGY: 946800 716.6918 2108.7672 1932.1171 118.8671 -206209.2609 17929.6240 0.0000 0.0000 34642.8714 -148760.3224 302.5448 -183403.1938 -148662.0676 301.3382 60.4754 92.7768 558969.5802 -0.2543 -0.2230 PRESSURE: 947000 257.18 -0.48104 -120.577 -0.480414 291.157 -40.4443 -120.577 -40.4452 5.90452 GPRESSURE: 947000 308.525 -4.7196 -132.608 39.4305 291.494 -70.6759 -76.6785 9.18983 37.2173 PRESSAVG: 947000 -26.7695 -27.6893 34.7451 -27.6893 2.1234 38.0892 34.7451 38.0892 25.9098 GPRESSAVG: 947000 -26.8983 -29.6914 34.3471 -25.837 1.68639 37.9974 36.2822 38.7835 26.0732 TIMING: 947000 CPU: 2843.62, 0.00300304/step Wall: 2843.62, 0.00300304/step, 3.38093 hours remaining, 208.160156 MB of memory in use. ENERGY: 947000 768.8009 2060.3701 1972.0105 111.0614 -206403.6875 18133.8379 0.0000 0.0000 34503.7036 -148853.9030 301.3294 -183357.6066 -148757.7680 301.0373 184.7471 212.4122 556393.4250 0.4212 0.2871 PRESSURE: 947200 -3.54564 -33.5956 -253.651 -33.596 -261.701 80.4074 -253.65 80.4095 -158.623 GPRESSURE: 947200 25.8308 -35.6633 -229.575 -57.3494 -246.506 145.274 -174.775 68.8976 -78.2956 PRESSAVG: 947200 -13.6791 -81.7846 33.7028 -81.7846 -1.31205 68.0707 33.703 68.0706 -4.12784 GPRESSAVG: 947200 -14.1628 -80.0407 33.7897 -83.3686 -0.723979 67.6285 33.5623 66.7669 -3.63009 TIMING: 947200 CPU: 2844.22, 0.00300244/step Wall: 2844.22, 0.00300244/step, 3.38008 hours remaining, 208.160156 MB of memory in use. ENERGY: 947200 723.2983 2056.9639 1932.8709 109.8379 -205970.1646 17593.0040 0.0000 0.0000 34485.5139 -149068.6757 301.1706 -183554.1896 -148971.0237 300.3957 -141.2899 -99.6570 557741.9094 -6.3730 -6.1723 PRESSURE: 947400 212.305 -82.6611 -180.886 -82.66 12.8683 -107.718 -180.887 -107.72 88.2831 GPRESSURE: 947400 236.74 -34.7224 -223.447 -73.7948 23.9885 -97.2078 -69.9955 -62.343 154.207 PRESSAVG: 947400 16.6141 -31.1981 11.5161 -31.1981 29.5375 18.7915 11.5161 18.7914 9.64219 GPRESSAVG: 947400 17.5902 -32.2179 10.2254 -31.7854 29.4466 18.7918 13.2203 19.2134 9.22963 TIMING: 947400 CPU: 2844.82, 0.00301807/step Wall: 2844.82, 0.00301807/step, 3.39751 hours remaining, 208.160156 MB of memory in use. ENERGY: 947400 758.4313 2042.5908 1928.9136 107.7459 -206438.1690 18064.9161 0.0000 0.0000 34481.0560 -149054.5153 301.1316 -183535.5713 -148961.4942 300.8720 104.4854 138.3116 555762.6575 18.5979 18.7555 PRESSURE: 947600 151.134 178.383 -2.26636 178.384 131.578 -57.612 -2.26571 -57.6101 -143.98 GPRESSURE: 947600 157.258 150.548 61.5966 183.854 212.452 -158.056 2.61194 -49.2138 -147.476 PRESSAVG: 947600 26.2676 41.9886 13.4722 41.9886 88.5514 -28.6081 13.4721 -28.6082 -45.6122 GPRESSAVG: 947600 26.3013 45.1175 15.4579 41.8643 88.6565 -30.5119 12.9082 -27.5448 -45.6619 TIMING: 947600 CPU: 2845.42, 0.00301454/step Wall: 2845.42, 0.00301454/step, 3.39336 hours remaining, 208.160156 MB of memory in use. ENERGY: 947600 752.1287 2039.6891 1920.7256 104.8014 -206115.1799 17789.8979 0.0000 0.0000 34371.7239 -149136.2134 300.1768 -183507.9373 -149035.3876 299.7670 46.2441 74.0782 554940.3931 23.0689 23.0987 PRESSURE: 947800 -191.477 1.43594 -101.225 1.43612 113.34 130.135 -101.225 130.136 -9.83995 GPRESSURE: 947800 -179.976 -32.9132 -98.0316 60.983 121.389 62.4004 -185.985 121.124 57.3152 PRESSAVG: 947800 -15.6068 51.5194 -18.8677 51.5195 6.61682 -0.352165 -18.8678 -0.352184 26.4306 GPRESSAVG: 947800 -15.8722 47.6375 -19.7971 53.488 7.27261 1.51999 -21.0447 -2.4041 26.5101 TIMING: 947800 CPU: 2846.03, 0.0030081/step Wall: 2846.03, 0.0030081/step, 3.38595 hours remaining, 208.160156 MB of memory in use. ENERGY: 947800 764.2971 2076.2833 1918.9450 116.6003 -205972.9678 17689.3901 0.0000 0.0000 34279.3049 -149128.1471 299.3697 -183407.4520 -149027.2927 299.6036 -29.3257 -0.4240 555975.7503 5.8135 5.9702 PRESSURE: 948000 -13.2982 37.8003 -54.42 37.7986 -295.867 -81.3447 -54.4187 -81.346 -77.2969 GPRESSURE: 948000 25.944 -12.538 -119.101 90.3944 -300.362 -14.2332 -58.1408 -92.5141 -13.646 PRESSAVG: 948000 40.9147 35.3884 -35.0219 35.3884 -20.0682 86.7747 -35.0219 86.7747 2.72875 GPRESSAVG: 948000 41.8723 35.1757 -34.8081 36.264 -20.6508 87.6197 -36.2809 87.8939 2.28109 TIMING: 948000 CPU: 2846.62, 0.00298608/step Wall: 2846.62, 0.00298608/step, 3.361 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: 948000 754.0289 2093.8037 1956.7829 107.1052 -206072.1019 17546.9202 0.0000 0.0000 34363.1841 -149250.2770 300.1022 -183613.4610 -149157.7225 299.7339 -128.8208 -96.0214 555949.4369 7.8584 7.8342 PRESSURE: 948200 -91.1812 161.791 252.416 161.791 -297.757 41.2839 252.415 41.2829 50.0179 GPRESSURE: 948200 -100.851 42.1819 203.48 269.866 -209.985 63.3139 296.999 122.926 72.7899 PRESSAVG: 948200 -70.7267 1.86703 71.3508 1.86704 21.38 10.9663 71.3509 10.9663 57.9344 GPRESSAVG: 948200 -71.1844 2.72792 73.0825 0.808298 21.856 11.9539 70.9812 11.7059 57.9087 TIMING: 948200 CPU: 2847.22, 0.0029971/step Wall: 2847.22, 0.0029971/step, 3.37324 hours remaining, 208.160156 MB of memory in use. ENERGY: 948200 746.7354 2124.9245 1914.8894 110.6016 -206149.2813 17623.4278 0.0000 0.0000 34363.1039 -149265.5986 300.1015 -183628.7026 -149172.0590 299.6902 -112.9734 -79.3489 557379.5272 2.8625 2.8601 LDB: ============= START OF LOAD BALANCING ============== 2850.74 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2850.74 LDB: =============== DONE WITH MIGRATION ================ 2850.74 LDB: ============= START OF LOAD BALANCING ============== 2851.04 LDB: Largest compute 4800 load 0.026417 is 22.4% of average load 0.117860 LDB: Average compute 0.001734 is 1.5% of average load 0.117860 LDB: TIME 2851.05 LOAD: AVG 0.11786 MAX 0.207931 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.469 MB LDB: TIME 2851.05 LOAD: AVG 0.11786 MAX 0.207931 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.566 MB LDB: TIME 2851.05 LOAD: AVG 0.11786 MAX 0.207931 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.566 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2851.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2851.05 PRESSURE: 948400 -136.01 148.903 -89.4694 148.902 -198.771 -36.5861 -89.4709 -36.5853 -146.858 GPRESSURE: 948400 -151.915 84.6792 -82.7558 169.776 -178.072 -1.93792 -57.7337 -70.8222 -48.989 PRESSAVG: 948400 33.6876 32.7449 -0.0267611 32.7449 -67.055 33.1499 -0.0267416 33.1499 36.1183 GPRESSAVG: 948400 33.4165 33.4204 -1.32772 32.0912 -66.4735 28.8875 2.84563 33.4228 35.7887 TIMING: 948400 CPU: 2847.84, 0.00307005/step Wall: 2847.84, 0.00307005/step, 3.45517 hours remaining, 207.195312 MB of memory in use. ENERGY: 948400 740.1693 2093.8940 1935.9092 116.2500 -206016.4786 17545.0927 0.0000 0.0000 34339.4034 -149245.7599 299.8946 -183585.1633 -149147.9438 300.0098 -160.5463 -126.3252 556697.0883 0.9170 0.9106 PRESSURE: 948600 12.8464 -84.0195 153.305 -84.0199 166.942 19.4251 153.304 19.4258 -88.0038 GPRESSURE: 948600 41.9752 -79.4 62.0311 -112.79 144.217 -9.19359 93.653 0.7054 -5.23772 PRESSAVG: 948600 34.2524 27.8818 -43.1587 27.8818 -44.986 -9.81491 -43.1588 -9.81478 -21.4059 GPRESSAVG: 948600 34.944 27.8202 -43.7256 27.1986 -46.7327 -6.51209 -45.0356 -11.8559 -20.5916 TIMING: 948600 CPU: 2848.44, 0.00301038/step Wall: 2848.44, 0.00301038/step, 3.38785 hours remaining, 207.195312 MB of memory in use. ENERGY: 948600 733.9855 2101.1714 1957.3343 102.4095 -206076.0444 17734.9694 0.0000 0.0000 34140.0844 -149306.0899 298.1538 -183446.1743 -149207.1710 299.5965 30.5950 60.3180 557329.2713 -10.7132 -10.7934 PRESSURE: 948800 -11.6424 34.3669 90.3453 34.3659 -205.852 22.6648 90.3444 22.6634 -104.315 GPRESSURE: 948800 58.1716 29.7874 31.3021 -45.7173 -229.899 41.5936 52.9626 40.2258 -61.182 PRESSAVG: 948800 16.8681 -18.0072 -8.22774 -18.0072 4.46986 -14.2117 -8.22771 -14.2116 3.00043 GPRESSAVG: 948800 15.947 -18.7359 -9.12185 -17.4346 4.87213 -14.2516 -6.51445 -12.8932 3.24518 TIMING: 948800 CPU: 2849.03, 0.00297333/step Wall: 2849.03, 0.00297333/step, 3.34598 hours remaining, 207.195312 MB of memory in use. ENERGY: 948800 748.8924 2035.6411 1931.1289 126.0619 -205937.4146 17485.7044 0.0000 0.0000 34266.6796 -149343.3063 299.2594 -183609.9858 -149248.0607 299.6313 -107.2696 -77.6364 555605.9589 8.1128 8.0214 PRESSURE: 949000 -51.7778 34.3939 129.006 34.3944 -156.733 -35.0699 129.006 -35.0712 -224.725 GPRESSURE: 949000 17.393 10.0074 128.337 -22.2831 -159.905 -64.1795 33.8529 -93.0245 -186.263 PRESSAVG: 949000 -9.70718 -22.494 21.3099 -22.4939 32.7947 -0.699241 21.3099 -0.699336 -11.4599 GPRESSAVG: 949000 -9.19828 -21.5202 22.9603 -21.736 31.9548 0.269891 21.2978 -0.875833 -11.0528 TIMING: 949000 CPU: 2849.64, 0.0030414/step Wall: 2849.64, 0.0030414/step, 3.42242 hours remaining, 207.195312 MB of memory in use. ENERGY: 949000 773.2385 2053.7004 1973.9909 115.1769 -206526.0446 17828.8067 0.0000 0.0000 34384.6109 -149396.5203 300.2894 -183781.1311 -149295.3851 299.3215 -144.4120 -109.5915 557160.4258 3.8759 3.9013 PRESSURE: 949200 -162.634 -6.25162 -45.5905 -6.25066 -64.6738 124.556 -45.5909 124.556 128.194 GPRESSURE: 949200 -195.075 -17.1993 -31.0737 67.2205 4.17127 120.19 -75.7261 118.986 176.725 PRESSAVG: 949200 16.7023 -37.5332 -14.558 -37.5333 68.7458 14.0287 -14.5579 14.0287 -23.5099 GPRESSAVG: 949200 16.6765 -37.8303 -16.3505 -38.2009 69.9956 12.7404 -16.4291 13.7844 -24.3927 TIMING: 949200 CPU: 2850.25, 0.003031/step Wall: 2850.25, 0.003031/step, 3.41055 hours remaining, 207.195312 MB of memory in use. ENERGY: 949200 760.1099 2074.6034 1933.2256 116.5184 -206641.3577 17875.5753 0.0000 0.0000 34429.1957 -149452.1295 300.6787 -183881.3251 -149354.9345 299.1414 -33.0381 -4.7264 556152.9776 20.6460 20.7598 PRESSURE: 949400 -158.258 183.754 -87.5272 183.753 -59.0709 6.65922 -87.5276 6.65978 135.06 GPRESSURE: 949400 -129.796 241.211 -195.283 49.5842 -38.3176 -42.1733 -6.8331 -6.64706 181.861 PRESSAVG: 949400 -61.9061 -23.4903 -18.172 -23.4903 12.1141 22.3444 -18.1721 22.3444 46.9546 GPRESSAVG: 949400 -60.8394 -23.4189 -16.1695 -24.101 11.1688 21.8842 -18.0409 22.8888 46.8857 TIMING: 949400 CPU: 2850.86, 0.00303947/step Wall: 2850.86, 0.00303947/step, 3.41991 hours remaining, 207.195312 MB of memory in use. ENERGY: 949400 764.8980 2073.5782 1933.1943 102.4589 -206367.1898 17920.7011 0.0000 0.0000 34333.8104 -149238.5488 299.8457 -183572.3593 -149140.5082 299.8207 -27.4230 4.5825 557414.3345 -0.9458 -0.9283 PRESSURE: 949600 -120.257 39.6434 -15.3666 39.6421 -5.62345 38.6319 -15.3652 38.6325 -147.461 GPRESSURE: 949600 -59.7017 107.584 0.892915 -55.3405 -20.6214 -21.2802 55.5678 35.9234 -85.4982 PRESSAVG: 949600 -35.2221 -13.721 21.175 -13.7209 7.15781 10.0374 21.1749 10.0374 59.4599 GPRESSAVG: 949600 -34.7153 -13.5851 20.3483 -13.5028 7.19522 9.43193 23.1322 9.48499 59.0971 TIMING: 949600 CPU: 2851.46, 0.00303742/step Wall: 2851.46, 0.00303742/step, 3.41744 hours remaining, 207.195312 MB of memory in use. ENERGY: 949600 754.7997 2098.2809 1934.9908 102.1614 -206039.0345 17638.2347 0.0000 0.0000 34132.4753 -149378.0917 298.0874 -183510.5670 -149279.5407 299.5336 -91.1138 -55.2738 557163.9966 10.4652 10.5257 PRESSURE: 949800 -120.057 59.6929 -32.8715 59.6936 -53.2881 17.383 -32.8714 17.3839 -117.161 GPRESSURE: 949800 -84.0116 130.653 -77.7238 -51.4663 -23.7225 95.3383 -6.67489 12.8143 -100.009 PRESSAVG: 949800 -7.41692 -56.1216 -10.4846 -56.1217 -21.574 23.4487 -10.4845 23.4487 49.9717 GPRESSAVG: 949800 -7.93385 -56.0988 -11.3121 -55.3934 -21.9327 24.607 -12.0444 24.1593 50.7374 TIMING: 949800 CPU: 2852.07, 0.00303408/step Wall: 2852.07, 0.00303408/step, 3.41351 hours remaining, 207.195312 MB of memory in use. ENERGY: 949800 771.4438 2057.5293 1928.3719 116.4538 -206452.4854 17894.7655 0.0000 0.0000 34360.0501 -149323.8711 300.0749 -183683.9212 -149227.9257 299.1927 -96.8352 -69.2478 558307.7604 6.9936 6.9570 PRESSURE: 950000 356.849 66.268 -96.6027 66.2679 177.939 -83.9194 -96.6035 -83.9193 211.366 GPRESSURE: 950000 410.584 21.3922 -147.728 67.8336 174.249 -73.3157 -90.9035 -107.89 265.472 PRESSAVG: 950000 80.5754 -5.09822 -3.20075 -5.0982 -26.3474 -17.5421 -3.2007 -17.5421 -67.7842 GPRESSAVG: 950000 78.8036 -5.12462 -3.32958 -4.43589 -24.9711 -18.085 -3.88007 -18.191 -67.6902 TIMING: 950000 CPU: 2852.68, 0.00303343/step Wall: 2852.68, 0.00303343/step, 3.41261 hours remaining, 207.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 950000 787.2934 2104.6205 1905.5190 100.7762 -206983.5731 18314.6951 0.0000 0.0000 34444.9274 -149325.7416 300.8161 -183770.6689 -149232.8540 299.0865 248.7180 283.4353 556912.7842 -4.5187 -4.6192 PRESSURE: 950200 -464.819 7.5177 -12.9088 7.51872 4.02361 155.489 -12.9093 155.489 -131.787 GPRESSURE: 950200 -434.082 54.6924 -56.1755 5.86213 32.0756 158.391 -96.0052 163.978 -101.294 PRESSAVG: 950200 2.70589 -16.2382 -9.00509 -16.2383 -54.48 30.8632 -9.0051 30.8633 57.6918 GPRESSAVG: 950200 3.71878 -15.2221 -10.4088 -18.5367 -55.2012 30.7521 -6.64463 31.4963 57.8393 TIMING: 950200 CPU: 2853.28, 0.00299493/step Wall: 2853.28, 0.00299493/step, 3.36913 hours remaining, 207.195312 MB of memory in use. ENERGY: 950200 770.8432 2033.4213 1936.1486 123.3904 -206128.7397 17597.7823 0.0000 0.0000 34279.8492 -149387.3047 299.3744 -183667.1539 -149287.4680 299.1129 -197.5275 -167.7668 557492.9801 1.9726 2.1190 PRESSURE: 950400 81.4211 101.575 146.745 101.574 -233.421 -0.811008 146.746 -0.810898 -160.824 GPRESSURE: 950400 126.999 -46.5532 99.9672 176.029 -213.382 40.464 182.07 -42.3903 -130.62 PRESSAVG: 950400 -41.8967 -17.6466 64.6412 -17.6466 -5.22365 59.9796 64.6413 59.9796 41.253 GPRESSAVG: 950400 -41.4835 -18.4694 66.4016 -17.9791 -5.5335 59.6302 63.4353 58.7679 41.7398 TIMING: 950400 CPU: 2853.88, 0.00300892/step Wall: 2853.88, 0.00300892/step, 3.3847 hours remaining, 207.195312 MB of memory in use. ENERGY: 950400 750.0058 2068.8056 1923.6556 114.6494 -205991.8874 17497.6322 0.0000 0.0000 34339.0636 -149298.0752 299.8916 -183637.1388 -149194.3830 299.5709 -104.2744 -72.3344 555995.0349 -1.9558 -1.7591 PRESSURE: 950600 307.48 -4.24243 -193.397 -4.24149 -51.7336 -198.904 -193.398 -198.905 175.767 GPRESSURE: 950600 361.377 -1.10292 -167.671 -1.48741 -28.318 -194.522 -188.441 -202.197 185.791 PRESSAVG: 950600 -8.67653 16.7353 -45.83 16.7353 -25.4879 12.3604 -45.8299 12.3605 4.0358 GPRESSAVG: 950600 -9.36715 16.9088 -46.9796 20.0181 -23.7933 11.4311 -44.8757 14.2119 3.84826 TIMING: 950600 CPU: 2854.48, 0.00299652/step Wall: 2854.48, 0.00299652/step, 3.37059 hours remaining, 207.195312 MB of memory in use. ENERGY: 950600 742.0063 2087.9466 1950.9823 131.0439 -206634.9484 18068.5606 0.0000 0.0000 34315.4730 -149338.9358 299.6856 -183654.4088 -149243.8732 299.0757 143.8378 172.9502 556794.4714 -10.0429 -9.7707 PRESSURE: 950800 50.9139 90.7575 -69.9046 90.7582 -129.122 114.854 -69.9047 114.854 -135.591 GPRESSURE: 950800 0.511386 6.56658 4.58458 151.924 -75.0723 182.293 -31.4038 133.248 -46.2137 PRESSAVG: 950800 -30.9719 -46.4867 -15.0135 -46.4867 -23.6283 0.450376 -15.0134 0.45049 43.0403 GPRESSAVG: 950800 -30.6267 -47.7885 -12.6295 -47.683 -24.8875 3.26022 -14.261 -2.20803 43.4048 TIMING: 950800 CPU: 2855.07, 0.00298951/step Wall: 2855.07, 0.00298951/step, 3.36253 hours remaining, 207.195312 MB of memory in use. ENERGY: 950800 752.0053 2093.8804 1945.6204 126.3382 -206311.8291 17644.1639 0.0000 0.0000 34331.9002 -149417.9207 299.8290 -183749.8209 -149323.3962 299.4205 -71.2663 -40.2582 557080.3311 -3.8533 -4.0365 PRESSURE: 951000 261.166 73.0596 77.9778 73.0599 -107.532 45.8132 77.9769 45.8113 -273.08 GPRESSURE: 951000 265.709 -3.08151 164.198 47.2595 -47.7058 119.995 47.4225 19.0437 -237.104 PRESSAVG: 951000 -30.186 29.2101 -41.4055 29.2101 -35.4084 36.9947 -41.4055 36.9948 61.5251 GPRESSAVG: 951000 -30.617 30.0144 -41.3655 28.9438 -35.97 37.2713 -43.4337 34.8616 61.9025 TIMING: 951000 CPU: 2855.68, 0.00300457/step Wall: 2855.68, 0.00300457/step, 3.37931 hours remaining, 207.195312 MB of memory in use. ENERGY: 951000 752.1906 2151.9614 1941.2506 108.0321 -206391.0443 17789.8618 0.0000 0.0000 34218.5605 -149429.1874 298.8392 -183647.7478 -149335.5998 299.2484 -39.8153 -6.3672 556355.5356 -1.3564 -1.5615 PRESSURE: 951200 52.4842 -181.962 -103.388 -181.961 6.29904 41.8243 -103.387 41.826 -40.7421 GPRESSURE: 951200 111.787 -173.432 -27.6313 -112.803 34.7786 103.788 -113.949 49.3432 -41.4425 PRESSAVG: 951200 -8.53973 -20.0728 -22.5341 -20.0728 3.64357 2.12792 -22.5341 2.12784 -27.0303 GPRESSAVG: 951200 -7.48437 -18.6289 -22.1798 -19.8597 2.75642 1.91699 -22.5263 4.75379 -26.5779 TIMING: 951200 CPU: 2856.27, 0.00297271/step Wall: 2856.27, 0.00297271/step, 3.34331 hours remaining, 207.195312 MB of memory in use. ENERGY: 951200 756.3106 2077.9468 1928.7209 103.8927 -206339.0993 17867.5154 0.0000 0.0000 34056.5042 -149548.2088 297.4239 -183604.7129 -149461.9324 298.2675 6.0137 35.0410 555902.4833 -10.6422 -10.4353 PRESSURE: 951400 -394.682 -4.41047 -6.88289 -4.40953 31.5481 -137.298 -6.88354 -137.297 -277.995 GPRESSURE: 951400 -368.165 75.3991 -70.6935 -88.4158 69.4626 -194.135 122.417 -102.721 -241.938 PRESSAVG: 951400 30.458 38.3369 46.0909 38.3369 43.0705 -34.5969 46.0908 -34.5969 -60.6236 GPRESSAVG: 951400 30.6571 40.2515 43.2783 36.1892 43.2027 -37.5364 47.2355 -33.7062 -60.8551 TIMING: 951400 CPU: 2856.87, 0.00299205/step Wall: 2856.87, 0.00299205/step, 3.3649 hours remaining, 207.195312 MB of memory in use. ENERGY: 951400 791.7426 2107.1928 1930.0816 108.0646 -206369.4480 17621.1977 0.0000 0.0000 34200.3375 -149610.8311 298.6801 -183811.1686 -149508.0035 298.2726 -213.7099 -180.2135 556812.5640 4.3016 4.3349 PRESSURE: 951600 122.125 -95.3566 64.5224 -95.3564 1.39241 -40.1788 64.5214 -40.1791 248.498 GPRESSURE: 951600 163.605 -243.301 119.202 -73.3385 -9.07385 -33.0345 40.3997 6.78399 312.248 PRESSAVG: 951600 -1.40015 14.6834 14.0121 14.6834 -3.21932 -6.14859 14.0121 -6.14866 -22.5633 GPRESSAVG: 951600 -2.03399 11.7063 14.1216 15.7646 -3.3155 -3.31838 14.8628 -7.46022 -22.0335 TIMING: 951600 CPU: 2857.47, 0.00302348/step Wall: 2857.47, 0.00302348/step, 3.40007 hours remaining, 207.195312 MB of memory in use. ENERGY: 951600 759.0309 2114.1843 1918.9868 124.2442 -206983.6768 18101.4692 0.0000 0.0000 34318.9184 -149646.8430 299.7157 -183965.7614 -149552.9195 298.5264 124.0052 155.5932 556384.2828 -9.0609 -9.1277 PRESSURE: 951800 -3.91562 209.312 135.789 209.312 -75.9867 48.5479 135.789 48.5484 100.679 GPRESSURE: 951800 38.4611 277.679 166.485 148.049 -69.272 6.01891 104.248 -34.2337 142.169 PRESSAVG: 951800 -21.1551 38.3194 66.62 38.3194 55.2309 -62.5773 66.62 -62.5774 -15.1998 GPRESSAVG: 951800 -20.5658 38.1805 67.3481 37.837 54.919 -65.7272 64.8141 -61.0905 -15.1367 TIMING: 951800 CPU: 2858.07, 0.00300433/step Wall: 2858.07, 0.00300433/step, 3.37837 hours remaining, 207.195312 MB of memory in use. ENERGY: 951800 733.8649 2097.3556 1948.4608 113.7435 -206800.2477 17916.6996 0.0000 0.0000 34133.0871 -149857.0362 298.0927 -183990.1233 -149760.5668 297.3949 6.9257 37.1193 556086.1143 6.2920 6.4055 PRESSURE: 952000 -210.649 213.88 -63.374 213.88 104.996 -63.7411 -63.3746 -63.7399 -267.366 GPRESSURE: 952000 -117.76 203.223 -102.737 179.165 154.128 -33.9586 -19.6553 -27.1225 -304.351 PRESSAVG: 952000 18.304 25.4884 -17.0337 25.4884 6.55198 -2.16491 -17.0338 -2.16497 6.01571 GPRESSAVG: 952000 18.0224 27.3179 -16.8524 25.7539 7.84494 -0.626504 -17.7394 -0.724414 5.04798 TIMING: 952000 CPU: 2858.68, 0.00304997/step Wall: 2858.68, 0.00304997/step, 3.42952 hours remaining, 207.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 952000 773.9860 2073.4703 1913.0928 112.2248 -206645.9032 17797.4009 0.0000 0.0000 34277.3583 -149698.3701 299.3527 -183975.7283 -149595.0090 299.0253 -124.3394 -89.3278 555658.9535 10.2906 10.3051 PRESSURE: 952200 265.182 -49.8368 -22.4684 -49.8366 -218.898 -53.2504 -22.4692 -53.2512 227.801 GPRESSURE: 952200 290.294 -50.4599 -69.2378 59.3657 -176.012 -46.871 58.1396 45.5341 260.646 PRESSAVG: 952200 17.7605 14.0564 14.5874 14.0564 -28.6768 -25.8568 14.5874 -25.8568 24.8394 GPRESSAVG: 952200 19.3781 11.236 14.2949 15.624 -29.9822 -27.3595 16.7997 -25.9817 24.7418 TIMING: 952200 CPU: 2859.29, 0.0030309/step Wall: 2859.29, 0.0030309/step, 3.40791 hours remaining, 207.195312 MB of memory in use. ENERGY: 952200 771.4068 2037.3449 1940.0126 112.5555 -206798.5397 18153.9787 0.0000 0.0000 34189.0577 -149594.1834 298.5815 -183783.2411 -149503.4831 298.7561 91.3616 124.9761 557203.7352 4.6410 4.7126 LDB: ============= START OF LOAD BALANCING ============== 2862.81 LDB: ============== END OF LOAD BALANCING =============== 2862.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2862.81 LDB: ============= START OF LOAD BALANCING ============== 2863.11 LDB: Largest compute 4800 load 0.026527 is 22.5% of average load 0.117945 LDB: Average compute 0.001731 is 1.5% of average load 0.117945 LDB: TIME 2863.12 LOAD: AVG 0.117945 MAX 0.2073 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.508 MB LDB: TIME 2863.12 LOAD: AVG 0.117945 MAX 0.2073 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.551 MB LDB: TIME 2863.12 LOAD: AVG 0.117945 MAX 0.2073 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.551 MB LDB: ============== END OF LOAD BALANCING =============== 2863.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2863.12 PRESSURE: 952400 -70.5207 65.3962 -2.77324 65.3964 140.262 96.942 -2.77422 96.9414 281.722 GPRESSURE: 952400 -47.2858 55.4795 -110.538 87.5185 200.517 180.439 53.9947 48.3761 295.919 PRESSAVG: 952400 -43.274 24.6923 -19.4925 24.6925 -47.6486 -22.8101 -19.4925 -22.8101 55.1798 GPRESSAVG: 952400 -43.936 25.721 -19.12 23.693 -47.0797 -19.4634 -19.9679 -23.8119 55.8839 TIMING: 952400 CPU: 2859.91, 0.00308426/step Wall: 2859.91, 0.00308426/step, 3.46774 hours remaining, 208.421875 MB of memory in use. ENERGY: 952400 745.0785 2053.4366 1960.5911 116.5647 -206455.7028 17896.9621 0.0000 0.0000 34236.0273 -149447.0425 298.9917 -183683.0699 -149362.6456 298.8500 117.1545 149.7169 556129.1328 -11.9142 -11.7106 PRESSURE: 952600 -239.862 -30.4291 -127.32 -30.4284 299.328 30.7157 -127.32 30.7156 -160.629 GPRESSURE: 952600 -175.324 28.5023 -125.386 -61.9739 337.077 42.8018 -152.557 14.2148 -173.444 PRESSAVG: 952600 -31.3435 -4.5577 27.3438 -4.55774 3.66083 9.60554 27.3438 9.60563 45.4723 GPRESSAVG: 952600 -30.8606 -3.56892 28.8794 -6.56073 3.7848 8.07526 24.8534 9.30451 45.1265 TIMING: 952600 CPU: 2860.5, 0.00298458/step Wall: 2860.5, 0.00298458/step, 3.3555 hours remaining, 208.492188 MB of memory in use. ENERGY: 952600 754.4894 2025.3391 1939.6928 101.4683 -206487.6640 17878.3225 0.0000 0.0000 34347.4985 -149440.8534 299.9652 -183788.3519 -149350.5353 299.3018 -33.7212 -3.8971 557243.6283 5.9299 6.0169 PRESSURE: 952800 -422.199 -32.7848 205.658 -32.7842 -154.168 -25.1074 205.658 -25.1045 -10.7531 GPRESSURE: 952800 -340.766 -32.8774 213.796 -6.94903 -114.209 -7.75059 189.763 -1.98639 -40.3936 PRESSAVG: 952800 7.3368 -9.79933 53.1761 -9.79936 26.4528 29.5627 53.176 29.5626 -27.7484 GPRESSAVG: 952800 7.06084 -8.53383 51.1372 -9.01872 26.6745 29.1653 54.445 31.3787 -27.507 TIMING: 952800 CPU: 2861.11, 0.00303292/step Wall: 2861.11, 0.00303292/step, 3.40967 hours remaining, 208.492188 MB of memory in use. ENERGY: 952800 716.0930 2108.4838 1959.2994 108.6022 -206089.6441 17556.6712 0.0000 0.0000 34271.3372 -149369.1572 299.3001 -183640.4944 -149271.2495 299.4727 -195.7067 -165.1231 558530.7190 2.0137 2.0761 PRESSURE: 953000 -137.631 15.4951 68.6204 15.4958 -194.841 -62.7752 68.6197 -62.7761 102.18 GPRESSURE: 953000 -119.315 66.4071 52.1554 39.3646 -110.6 -144.562 10.5206 -32.3015 88.2461 PRESSAVG: 953000 -82.3116 7.74079 26.0875 7.74069 51.7286 12.0335 26.0875 12.0334 14.632 GPRESSAVG: 953000 -82.4722 5.15776 25.6551 10.3079 51.8999 9.3533 25.7715 11.2699 14.5394 TIMING: 953000 CPU: 2861.72, 0.00304949/step Wall: 2861.72, 0.00304949/step, 3.42814 hours remaining, 208.492188 MB of memory in use. ENERGY: 953000 745.9692 2091.4603 1946.3596 109.9742 -206054.0458 17632.3475 0.0000 0.0000 34238.1965 -149289.7386 299.0107 -183527.9351 -149192.1767 299.3189 -76.7641 -47.2230 559633.6465 -5.3170 -5.3443 PRESSURE: 953200 -240.211 58.4422 -67.0268 58.4418 -194.909 6.10698 -67.0252 6.10748 39.7809 GPRESSURE: 953200 -164.177 147.942 -25.9371 -4.48632 -135.271 41.2163 -43.3965 -23.663 1.11912 PRESSAVG: 953200 -49.976 2.84582 -22.4658 2.84576 19.1747 14.7897 -22.4658 14.7897 61.2262 GPRESSAVG: 953200 -48.8038 2.27756 -22.2823 1.34487 17.6784 19.5173 -22.0154 13.9857 61.687 TIMING: 953200 CPU: 2862.33, 0.00303249/step Wall: 2862.33, 0.0030325/step, 3.40886 hours remaining, 208.492188 MB of memory in use. ENERGY: 953200 740.2475 2107.3401 1945.5715 111.8229 -205732.8384 17414.5701 0.0000 0.0000 34199.3099 -149213.9764 298.6711 -183413.2863 -149121.3366 299.2335 -131.7796 -99.4430 557762.2660 10.1416 10.1872 PRESSURE: 953400 -152.79 185.896 12.9042 185.896 -113.848 22.8406 12.9049 22.8402 -108.197 GPRESSURE: 953400 -115.177 213.908 1.12334 176.69 -67.3515 75.1625 70.9567 -2.52967 -110.576 PRESSAVG: 953400 25.1581 49.836 11.9437 49.836 1.44632 20.9303 11.9436 20.9303 39.8254 GPRESSAVG: 953400 24.5791 51.7377 12.9542 47.7641 3.89674 18.361 10.6632 20.3777 38.3679 TIMING: 953400 CPU: 2862.93, 0.00304/step Wall: 2862.93, 0.00304/step, 3.41713 hours remaining, 208.617188 MB of memory in use. ENERGY: 953400 722.1757 2104.3747 1926.9901 107.6233 -205873.8913 17457.9974 0.0000 0.0000 34255.2281 -149299.5020 299.1594 -183554.7302 -149199.8077 299.0031 -124.9450 -97.7015 558917.0426 22.1433 22.2812 PRESSURE: 953600 115.719 -69.0994 -25.3296 -69.0992 -153.233 -54.534 -25.3297 -54.5336 242.227 GPRESSURE: 953600 76.9922 -57.7683 -67.3619 -51.8517 -85.0182 5.60966 12.5488 -168.116 303.693 PRESSAVG: 953600 35.097 41.777 -59.9622 41.7771 -33.803 7.16019 -59.9622 7.16021 12.0057 GPRESSAVG: 953600 34.9296 41.0201 -60.4105 44.3072 -34.3369 9.04692 -59.7194 5.98071 12.2797 TIMING: 953600 CPU: 2863.54, 0.00301951/step Wall: 2863.54, 0.00301951/step, 3.39393 hours remaining, 208.617188 MB of memory in use. ENERGY: 953600 743.9293 2113.6032 1955.4508 129.9867 -205994.8081 17760.7920 0.0000 0.0000 34209.8003 -149081.2458 298.7627 -183291.0461 -148981.7470 299.6319 68.2378 98.5558 557956.5841 4.4332 4.2908 PRESSURE: 953800 27.5429 56.6199 166.438 56.62 -34.0502 -25.5409 166.437 -25.5397 276.813 GPRESSURE: 953800 46.9731 37.3983 231.837 -8.03449 -28.3982 17.0485 96.5281 -19.3068 346.492 PRESSAVG: 953800 30.9823 -14.2284 5.40119 -14.2283 -43.8806 -12.1493 5.4011 -12.1493 8.86896 GPRESSAVG: 953800 31.5878 -14.6639 4.16715 -15.2009 -44.5734 -13.9039 5.55211 -10.9122 8.4478 TIMING: 953800 CPU: 2864.14, 0.0029936/step Wall: 2864.14, 0.0029936/step, 3.36465 hours remaining, 208.617188 MB of memory in use. ENERGY: 953800 725.9862 2091.2549 1925.5074 121.8750 -206568.6610 18068.0712 0.0000 0.0000 34156.0580 -149479.9084 298.2933 -183635.9664 -149377.0503 298.9783 90.1020 121.6891 556916.2592 -1.3431 -1.5126 PRESSURE: 954000 -107.465 -72.1115 -52.8267 -72.1117 70.9111 127.291 -52.8269 127.288 -124.14 GPRESSURE: 954000 -18.4826 -84.9198 -89.298 -98.2772 51.6964 129.847 8.00767 92.5063 -113.418 PRESSAVG: 954000 -43.6412 -9.77769 -55.2944 -9.77759 -13.2005 45.4814 -55.2943 45.4813 54.5468 GPRESSAVG: 954000 -45.2227 -10.0578 -55.417 -9.56235 -12.6908 46.4031 -54.6895 46.128 55.5452 TIMING: 954000 CPU: 2864.74, 0.00301045/step Wall: 2864.74, 0.00301045/step, 3.38341 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: 954000 743.3496 2107.7237 1942.1592 118.0374 -206174.9950 17630.7162 0.0000 0.0000 34020.8600 -149612.1489 297.1126 -183633.0089 -149519.8945 297.8994 -53.5646 -26.7346 558143.0582 -0.7649 -0.7894 PRESSURE: 954200 -307.893 -12.4047 1.35016 -12.4046 -75.1644 78.7393 1.35129 78.7393 223.091 GPRESSURE: 954200 -236.304 -47.9214 -35.0285 -11.1696 -75.8591 120.395 31.5502 53.6011 263.59 PRESSAVG: 954200 7.49151 -23.2672 -25.2121 -23.2672 27.5864 -41.2104 -25.2123 -41.2104 -5.98205 GPRESSAVG: 954200 8.37966 -22.5981 -23.6837 -22.8763 27.2671 -41.9313 -26.903 -41.7082 -6.79557 TIMING: 954200 CPU: 2865.34, 0.003023/step Wall: 2865.34, 0.003023/step, 3.39735 hours remaining, 208.820312 MB of memory in use. ENERGY: 954200 725.1828 2037.8148 1923.1912 119.3410 -206119.3947 17687.7039 0.0000 0.0000 34122.5167 -149503.6443 298.0004 -183626.1610 -149410.4731 298.0730 -53.3221 -16.1911 558197.4517 9.6986 9.6171 PRESSURE: 954400 102.987 -59.6117 -0.337271 -59.6118 -101.917 -110.834 -0.338672 -110.833 -69.5728 GPRESSURE: 954400 102.413 -127.3 -79.0627 -15.4942 -68.0139 -123.415 -55.7955 -96.8173 4.55854 PRESSAVG: 954400 -39.7239 5.72802 20.9951 5.72812 19.7766 -66.1754 20.995 -66.1754 49.7978 GPRESSAVG: 954400 -38.8833 4.86494 20.1646 4.66999 20.0433 -65.6583 22.1474 -65.8676 48.5096 TIMING: 954400 CPU: 2865.95, 0.00302278/step Wall: 2865.95, 0.00302278/step, 3.39694 hours remaining, 208.820312 MB of memory in use. ENERGY: 954400 718.9010 2163.6801 1920.1294 103.2875 -206655.4345 17811.8518 0.0000 0.0000 34349.4510 -149588.1336 299.9823 -183937.5846 -149492.6090 298.4741 -22.8345 12.9859 556094.2849 9.9502 9.8899 PRESSURE: 954600 -116.662 52.8656 117.757 52.8655 -224.856 52.3421 117.758 52.3425 88.737 GPRESSURE: 954600 -76.7926 137.042 166.9 59.9422 -194.361 80.0874 11.9197 37.3505 116.894 PRESSAVG: 954600 -3.06031 -0.293506 0.42115 -0.29351 -50.4183 7.37201 0.421169 7.37199 34.6013 GPRESSAVG: 954600 -3.84072 0.953657 0.0338853 1.46104 -50.2177 6.08875 -0.299456 7.27176 35.3055 TIMING: 954600 CPU: 2866.55, 0.00302556/step Wall: 2866.55, 0.00302556/step, 3.39989 hours remaining, 208.820312 MB of memory in use. ENERGY: 954600 701.5061 2026.6691 1903.8324 112.0184 -206156.5980 17529.1180 0.0000 0.0000 34107.7016 -149775.7525 297.8710 -183883.4541 -149676.6305 298.2124 -84.2601 -51.4199 556497.6668 -6.2924 -6.2510 PRESSURE: 954800 -63.2639 65.696 132.588 65.6956 68.3298 -91.7408 132.587 -91.7417 -143.905 GPRESSURE: 954800 29.0708 65.4762 56.4936 100.83 75.2815 -79.0535 95.2387 -83.8211 -144.937 PRESSAVG: 954800 0.599323 -3.79237 64.1806 -3.79242 -18.2522 -45.9951 64.1806 -45.9952 3.28544 GPRESSAVG: 954800 0.181659 -3.66045 63.556 -3.51107 -18.076 -45.5729 65.6052 -46.1016 3.75943 TIMING: 954800 CPU: 2867.16, 0.00301828/step Wall: 2867.16, 0.00301828/step, 3.39155 hours remaining, 208.820312 MB of memory in use. ENERGY: 954800 721.7119 2065.0543 1936.7742 118.5043 -206269.5578 17752.6005 0.0000 0.0000 34046.6425 -149628.2701 297.3378 -183674.9126 -149528.7047 298.0320 -46.2796 -13.5281 557165.5364 -4.7891 -4.7116 PRESSURE: 955000 -25.2637 -52.7311 127.24 -52.731 -177.149 -83.4687 127.24 -83.4683 63.2516 GPRESSURE: 955000 -22.5946 -54.1417 107.776 -105.417 -105.649 -74.2337 99.1098 -27.4445 85.6018 PRESSAVG: 955000 -3.79183 -26.8004 11.5504 -26.8004 -12.5173 -9.81336 11.5504 -9.81341 48.8732 GPRESSAVG: 955000 -3.32475 -26.114 12.7004 -29.6735 -13.6648 -10.837 7.43419 -6.97709 50.2304 TIMING: 955000 CPU: 2867.76, 0.00300094/step Wall: 2867.76, 0.00300094/step, 3.37189 hours remaining, 208.820312 MB of memory in use. ENERGY: 955000 789.1701 2127.9818 1918.5173 108.4374 -206626.8953 17982.0975 0.0000 0.0000 34161.4336 -149539.2576 298.3403 -183700.6911 -149444.1495 298.3492 -46.3869 -14.2138 556157.0692 10.8547 11.0803 PRESSURE: 955200 401.879 1.68425 -79.1983 1.68347 271.579 83.5306 -79.198 83.5292 254.136 GPRESSURE: 955200 445.195 -75.391 -86.5259 -87.6588 270.262 129.638 -105.874 48.3935 314.455 PRESSAVG: 955200 35.8999 -50.4033 -13.28 -50.4033 -38.4231 27.1159 -13.2799 27.1159 2.21512 GPRESSAVG: 955200 34.7587 -52.704 -14.5891 -48.1439 -36.9213 28.829 -9.39802 24.8155 1.60688 TIMING: 955200 CPU: 2868.36, 0.00301122/step Wall: 2868.36, 0.00301122/step, 3.38327 hours remaining, 208.820312 MB of memory in use. ENERGY: 955200 725.6600 2091.4158 1903.1107 113.7862 -206617.1318 18136.6043 0.0000 0.0000 34032.8735 -149613.6813 297.2175 -183646.5548 -149526.1853 297.4131 309.1982 343.3039 554642.3423 -0.1027 -0.1852 PRESSURE: 955400 -169.826 154.087 -125.52 154.087 81.649 169.083 -125.519 169.085 36.317 GPRESSURE: 955400 -105.417 96.1861 -152.97 172.826 87.5473 126.181 -93.2558 186 56.9654 PRESSAVG: 955400 10.9869 -5.98399 -29.9379 -5.98406 14.6984 43.45 -29.938 43.4499 -36.0984 GPRESSAVG: 955400 11.0166 -4.22158 -27.8385 -5.90899 13.6581 41.4289 -31.4775 43.5828 -35.5127 TIMING: 955400 CPU: 2868.96, 0.00300065/step Wall: 2868.96, 0.00300065/step, 3.37123 hours remaining, 208.820312 MB of memory in use. ENERGY: 955400 712.3554 2081.3339 1931.0387 107.5878 -206330.4690 17764.7397 0.0000 0.0000 34106.8614 -149626.5520 297.8637 -183733.4134 -149537.9038 297.5600 -17.2866 13.0318 556936.1838 -3.4710 -3.6126 PRESSURE: 955600 94.4309 200.214 167.981 200.214 51.9401 -59.7214 167.981 -59.7227 152.796 GPRESSURE: 955600 169.151 181.263 161.236 218.096 91.8236 -48.6825 106.864 -1.49577 143.023 PRESSAVG: 955600 -16.3864 8.40872 -5.1747 8.40868 12.9226 8.68787 -5.17464 8.68791 26.9373 GPRESSAVG: 955600 -15.6443 8.09347 -5.60835 8.16462 12.6707 9.69768 -5.22316 8.32264 26.382 TIMING: 955600 CPU: 2869.57, 0.00302711/step Wall: 2869.57, 0.00302711/step, 3.40079 hours remaining, 208.820312 MB of memory in use. ENERGY: 955600 748.4691 2068.4247 1925.4422 113.7984 -206622.6432 17896.3967 0.0000 0.0000 34255.4514 -149614.6608 299.1614 -183870.1122 -149519.3107 298.3796 99.7225 134.6657 555338.1830 7.8245 7.8028 PRESSURE: 955800 -20.1802 -241.42 -23.1985 -241.42 -143.005 5.13535 -23.1967 5.1344 -172.971 GPRESSURE: 955800 12.8205 -246.061 91.8036 -327.892 -79.3498 -9.87166 -18.4891 -7.15023 -174.343 PRESSAVG: 955800 4.63825 2.45349 29.9515 2.45348 1.73321 -23.9872 29.9515 -23.9873 25.2064 GPRESSAVG: 955800 4.6286 1.15466 28.4476 4.51679 2.05936 -22.5838 30.7337 -24.0467 24.7126 TIMING: 955800 CPU: 2870.17, 0.00302623/step Wall: 2870.17, 0.00302623/step, 3.39963 hours remaining, 208.820312 MB of memory in use. ENERGY: 955800 736.2696 2085.6902 1922.7515 122.3775 -206373.7031 17663.1619 0.0000 0.0000 34139.7744 -149703.6781 298.1511 -183843.4524 -149612.0122 298.5423 -112.0522 -80.2907 557621.4278 10.5260 10.4669 PRESSURE: 956000 -166.992 -28.9217 24.0874 -28.9218 58.9269 34.2557 24.0871 34.2537 -163.872 GPRESSURE: 956000 -113.131 -9.37485 0.42655 -50.3697 54.6649 91.5183 109.02 105.245 -115.434 PRESSAVG: 956000 53.2738 -46.2128 1.66778 -46.2129 -42.9075 -42.1432 1.66783 -42.1431 -6.02689 GPRESSAVG: 956000 52.5483 -44.4406 1.61771 -47.3672 -42.5843 -42.5126 3.00657 -41.1477 -5.38006 TIMING: 956000 CPU: 2870.78, 0.00303153/step Wall: 2870.78, 0.00303153/step, 3.40542 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: 956000 728.5233 2110.1147 1892.1713 99.1591 -205998.2313 17555.1154 0.0000 0.0000 34133.8789 -149479.2686 298.0997 -183613.1475 -149387.5380 298.2797 -90.6456 -57.9667 557464.3415 1.4465 1.5280 PRESSURE: 956200 94.1496 -23.7052 -72.8846 -23.7049 127.983 -57.2112 -72.8847 -57.2119 216.986 GPRESSURE: 956200 164.802 -30.2866 -26.3358 5.81844 124.525 -24.3117 -74.0719 -78.6233 244.155 PRESSAVG: 956200 23.2873 3.22057 -13.5552 3.22064 38.3945 -13.2462 -13.5551 -13.2464 -31.052 GPRESSAVG: 956200 25.3346 2.52888 -13.2195 4.21712 37.156 -15.1969 -14.0874 -13.1492 -32.3658 TIMING: 956200 CPU: 2871.37, 0.0029752/step Wall: 2871.37, 0.0029752/step, 3.34197 hours remaining, 208.820312 MB of memory in use. ENERGY: 956200 733.5910 2062.0550 1921.8624 102.9646 -206397.9168 17903.6423 0.0000 0.0000 34268.8613 -149404.9402 299.2785 -183673.8015 -149309.2779 298.5202 146.3730 177.8274 558070.5811 10.2099 10.0416 LDB: ============= START OF LOAD BALANCING ============== 2874.89 LDB: ============== END OF LOAD BALANCING =============== 2874.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2874.89 LDB: ============= START OF LOAD BALANCING ============== 2875.19 LDB: Largest compute 4800 load 0.027317 is 23.2% of average load 0.117974 LDB: Average compute 0.001736 is 1.5% of average load 0.117974 LDB: TIME 2875.19 LOAD: AVG 0.117974 MAX 0.205922 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.68 MB LDB: TIME 2875.19 LOAD: AVG 0.117974 MAX 0.205922 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.883 MB LDB: TIME 2875.19 LOAD: AVG 0.117974 MAX 0.205922 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.883 MB LDB: ============== END OF LOAD BALANCING =============== 2875.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2875.2 PRESSURE: 956400 -39.9348 -55.7119 38.3954 -55.7118 -270.646 119.599 38.3957 119.6 -132.035 GPRESSURE: 956400 27.1082 -42.4384 36.8222 -150.578 -273.312 77.8297 -30.3752 77.9259 -103.499 PRESSAVG: 956400 19.0824 -7.47305 -46.6017 -7.47307 23.6186 -22.4128 -46.6017 -22.4128 -38.8694 GPRESSAVG: 956400 18.6876 -4.59336 -45.9781 -8.76594 24.5073 -20.7157 -47.7935 -24.4932 -38.9944 TIMING: 956400 CPU: 2871.98, 0.00305503/step Wall: 2871.98, 0.00305503/step, 3.43148 hours remaining, 207.707031 MB of memory in use. ENERGY: 956400 733.1240 2046.8283 1928.7356 109.2064 -206143.9599 17567.0836 0.0000 0.0000 34243.5858 -149515.3962 299.0578 -183758.9820 -149422.5338 298.5545 -147.5386 -116.5677 558223.1001 1.2772 1.4002 PRESSURE: 956600 58.0919 46.5901 -47.8601 46.5905 -70.2374 -53.4582 -47.8593 -53.4571 25.1316 GPRESSURE: 956600 62.6171 67.2472 27.6113 141.969 -99.4824 -125.883 -70.436 -15.1045 148.854 PRESSAVG: 956600 52.2351 71.1399 -38.1389 71.14 -51.3186 -3.46619 -38.139 -3.46607 -17.6518 GPRESSAVG: 956600 51.4288 67.95 -37.7328 72.1214 -52.4168 -5.48059 -36.9239 -1.3225 -15.71 TIMING: 956600 CPU: 2872.58, 0.00296174/step Wall: 2872.58, 0.00296174/step, 3.32652 hours remaining, 207.910156 MB of memory in use. ENERGY: 956600 700.3242 2029.2866 1900.2676 111.5574 -206021.2536 17672.1266 0.0000 0.0000 34130.5634 -149477.1277 298.0707 -183607.6911 -149376.6875 299.1535 4.3287 37.3295 557170.0843 -5.5785 -5.5660 PRESSURE: 956800 -316.603 124.638 37.9422 124.639 -223.424 108.051 37.9418 108.051 -110.928 GPRESSURE: 956800 -206.137 137.768 93.4753 144.192 -252.137 118.916 -23.9154 123.997 -106.796 PRESSAVG: 956800 -4.28413 36.9247 -18.1534 36.9248 -3.20297 -0.674753 -18.1534 -0.674846 18.1796 GPRESSAVG: 956800 -3.41998 38.1959 -18.5693 35.2947 -2.84339 0.305854 -19.5304 -1.54125 17.1539 TIMING: 956800 CPU: 2873.17, 0.00298444/step Wall: 2873.17, 0.00298444/step, 3.35186 hours remaining, 207.910156 MB of memory in use. ENERGY: 956800 733.6751 2027.5351 1888.0605 113.2812 -205474.7364 17282.7163 0.0000 0.0000 34217.5084 -149211.9598 298.8300 -183429.4682 -149116.7350 298.6419 -216.9850 -188.3566 558059.5367 3.5642 3.6302 PRESSURE: 957000 -364.949 65.8596 -24.577 65.859 100.08 -140.642 -24.5774 -140.644 -66.2311 GPRESSURE: 957000 -291.359 88.7554 -39.0834 116.188 59.9908 -141.607 -18.0221 -123.423 -3.83542 PRESSAVG: 957000 -25.5334 -7.07651 27.2671 -7.07647 -6.43507 7.39641 27.2671 7.39645 39.7697 GPRESSAVG: 957000 -24.8846 -5.86072 24.5015 -7.24837 -7.12356 5.77714 29.1003 8.29513 39.8131 TIMING: 957000 CPU: 2873.77, 0.00299468/step Wall: 2873.77, 0.00299468/step, 3.36319 hours remaining, 207.910156 MB of memory in use. ENERGY: 957000 739.7904 2045.8922 1906.6175 106.0345 -205960.4126 17528.6924 0.0000 0.0000 34362.7178 -149270.6678 300.0982 -183633.3856 -149165.3195 299.3990 -110.3667 -78.4012 556758.6096 2.6004 2.6017 PRESSURE: 957200 -464.096 174.965 66.7662 174.967 -230.475 -89.0057 66.7654 -89.0051 -170.753 GPRESSURE: 957200 -438.462 169.888 188.809 133.061 -204.367 -104.494 17.7654 -68.4551 -128.192 PRESSAVG: 957200 -27.7669 48.5266 8.25251 48.5267 14.9762 -10.0074 8.25258 -10.0074 39.2938 GPRESSAVG: 957200 -28.8642 47.8504 10.2577 49.1755 16.0325 -9.38066 8.59782 -9.96346 39.8367 TIMING: 957200 CPU: 2874.38, 0.00302268/step Wall: 2874.38, 0.00302268/step, 3.39447 hours remaining, 207.910156 MB of memory in use. ENERGY: 957200 723.9000 2120.2918 1923.7165 131.6222 -205869.4261 17394.5415 0.0000 0.0000 34356.1802 -149219.1740 300.0411 -183575.3542 -149125.7720 299.1844 -288.4416 -257.0070 558241.7385 8.8344 9.0017 PRESSURE: 957400 47.3702 54.7572 -39.5997 54.7589 -36.1317 2.12508 -39.6007 2.12533 59.7301 GPRESSURE: 957400 136.23 26.171 -101.93 55.874 -11.0187 -78.3386 4.70331 19.2628 39.0941 PRESSAVG: 957400 -18.045 5.10075 33.2089 5.10072 -18.9556 -22.2681 33.2089 -22.2681 9.63615 GPRESSAVG: 957400 -16.9193 4.37289 34.7791 5.94272 -19.0889 -21.0508 33.6719 -25.1133 8.22254 TIMING: 957400 CPU: 2874.98, 0.00300182/step Wall: 2874.98, 0.00300182/step, 3.37088 hours remaining, 207.910156 MB of memory in use. ENERGY: 957400 780.6627 2076.4368 1888.3999 114.3499 -206043.6835 17737.6216 0.0000 0.0000 34253.5590 -149192.6537 299.1448 -183446.2127 -149094.5994 298.8725 23.6562 54.7685 557996.3829 -9.1215 -9.2619 PRESSURE: 957600 -6.14281 -31.2288 127.54 -31.2276 -200.164 -14.8171 127.54 -14.8162 -76.0359 GPRESSURE: 957600 4.75099 -68.9781 120.402 54.2867 -137.577 -51.8085 43.8293 30.103 -46.9984 PRESSAVG: 957600 23.4411 17.5528 26.8577 17.5528 20.2372 3.74438 26.8576 3.7445 -28.7508 GPRESSAVG: 957600 21.46 16.072 26.7731 18.1746 20.4673 2.76583 25.2473 6.26972 -27.9252 TIMING: 957600 CPU: 2875.58, 0.00301983/step Wall: 2875.58, 0.00301983/step, 3.39093 hours remaining, 207.910156 MB of memory in use. ENERGY: 957600 779.7378 2110.1848 1887.0279 94.0561 -206042.0367 17664.2245 0.0000 0.0000 34246.1616 -149260.6441 299.0802 -183506.8057 -149157.0609 299.8750 -94.1142 -59.9416 557065.0402 4.9758 4.6674 PRESSURE: 957800 0.12212 32.8847 0.498053 32.8872 69.0616 -5.82992 0.498211 -5.82921 344.752 GPRESSURE: 957800 26.3992 63.6072 33.5636 34.2556 65.2191 45.9462 -66.4621 -43.6501 427.561 PRESSAVG: 957800 -16.9278 52.3553 -79.3942 52.3552 -9.51027 23.1508 -79.3941 23.1507 58.8332 GPRESSAVG: 957800 -17.0353 54.3505 -79.5757 52.6694 -9.32653 24.6695 -78.2394 19.7695 59.0842 TIMING: 957800 CPU: 2876.18, 0.00299491/step Wall: 2876.18, 0.00299491/step, 3.36279 hours remaining, 207.910156 MB of memory in use. ENERGY: 957800 714.8745 2078.2225 1928.9593 119.5277 -206121.4382 17914.2063 0.0000 0.0000 34346.5666 -149019.0813 299.9571 -183365.6479 -148921.4119 299.5450 137.9787 173.0597 555967.9573 10.7984 10.9075 PRESSURE: 958000 -59.9913 122.164 -39.5248 122.163 -88.7664 14.4861 -39.5245 14.4862 191.581 GPRESSURE: 958000 -67.6329 131.493 -108.049 59.3399 -1.76685 99.2063 -60.5219 -72.7969 205.057 PRESSAVG: 958000 -49.2628 21.1549 14.0225 21.1549 11.8654 -14.0896 14.0224 -14.0896 73.8617 GPRESSAVG: 958000 -48.22 20.3926 11.9594 21.9157 11.7822 -14.8678 12.9206 -12.1661 72.5599 TIMING: 958000 CPU: 2876.78, 0.00299902/step Wall: 2876.78, 0.00299902/step, 3.36723 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: 958000 713.0049 2097.7220 1906.8267 116.4379 -205567.4077 17503.4674 0.0000 0.0000 34174.8661 -149055.0827 298.4576 -183229.9488 -148952.1351 299.6412 14.2745 45.2189 556413.4489 12.1548 12.0407 PRESSURE: 958200 -240.646 -6.67589 -46.8703 -6.67606 -102.054 -56.8353 -46.8716 -56.8358 -82.1338 GPRESSURE: 958200 -223.521 23.9711 -71.9896 -45.1784 -99.6755 -73.7311 -51.1126 -92.27 7.09046 PRESSAVG: 958200 -37.4824 68.092 51.0786 68.0919 13.7428 12.5963 51.0786 12.5962 -6.13538 GPRESSAVG: 958200 -38.033 69.706 52.9859 65.7946 14.2946 13.8432 51.1088 12.439 -5.90428 TIMING: 958200 CPU: 2877.38, 0.00299222/step Wall: 2877.38, 0.00299222/step, 3.35943 hours remaining, 207.910156 MB of memory in use. ENERGY: 958200 747.7117 2060.7413 1940.8364 124.0512 -205771.9205 17475.2204 0.0000 0.0000 34128.5388 -149294.8208 298.0530 -183423.3596 -149194.7963 299.2428 -141.6114 -105.3688 558199.2420 -9.9583 -9.8809 PRESSURE: 958400 -12.9688 57.6181 249.909 57.6173 -10.4792 -93.5773 249.908 -93.5769 -215.964 GPRESSURE: 958400 48.4064 87.3228 204.404 75.135 -25.8201 -117.736 226.477 -161.174 -157.159 PRESSAVG: 958400 32.6717 54.4081 35.0374 54.4081 22.1565 -27.6384 35.0373 -27.6384 -39.3858 GPRESSAVG: 958400 33.0167 54.5561 33.7114 53.738 21.7148 -28.2138 35.331 -28.0762 -39.3296 TIMING: 958400 CPU: 2877.98, 0.00299965/step Wall: 2877.98, 0.00299965/step, 3.36761 hours remaining, 207.910156 MB of memory in use. ENERGY: 958400 721.7845 2057.5260 1926.7853 125.0204 -206060.4320 17681.5740 0.0000 0.0000 34465.7180 -149082.0237 300.9977 -183547.7417 -148981.1349 299.1942 -79.8041 -44.8574 557794.3478 5.1475 5.1340 PRESSURE: 958600 139.424 82.466 73.6654 82.4651 -21.6615 -109.527 73.6656 -109.528 -154.285 GPRESSURE: 958600 105.905 93.351 93.2088 97.2742 9.94756 -40.804 22.7625 -95.1537 -57.228 PRESSAVG: 958600 -5.33633 31.2888 31.4619 31.2889 2.10479 -40.3784 31.4619 -40.3784 13.1077 GPRESSAVG: 958600 -5.41371 29.3939 31.9309 34.7796 1.35539 -40.6162 32.0312 -39.7979 14.1337 TIMING: 958600 CPU: 2878.58, 0.00299922/step Wall: 2878.58, 0.00299922/step, 3.36696 hours remaining, 207.910156 MB of memory in use. ENERGY: 958600 701.5091 2145.0361 1916.2304 114.5680 -206155.1362 17757.8217 0.0000 0.0000 34346.3767 -149173.5942 299.9555 -183519.9709 -149069.1900 299.2100 -12.1743 19.5417 557340.0232 3.2920 3.3584 PRESSURE: 958800 17.7838 48.5154 52.5439 48.515 10.0661 -27.2564 52.5447 -27.2573 123.737 GPRESSURE: 958800 33.5424 54.8406 12.2076 11.9984 34.1985 -65.2726 79.5256 -25.4608 171.825 PRESSAVG: 958800 -24.5151 28.5965 -10.1776 28.5965 -15.0252 -54.8861 -10.1775 -54.886 -42.7733 GPRESSAVG: 958800 -24.1186 29.6009 -11.2167 26.9242 -14.568 -54.9904 -10.5286 -55.309 -43.5924 TIMING: 958800 CPU: 2879.18, 0.00302813/step Wall: 2879.18, 0.00302813/step, 3.39924 hours remaining, 207.910156 MB of memory in use. ENERGY: 958800 753.7183 2070.8043 1919.3883 117.7721 -206664.3183 18144.1980 0.0000 0.0000 34419.0842 -149239.3532 300.5904 -183658.4373 -149146.7442 299.4597 50.5288 79.8553 557335.8205 -27.4379 -27.4263 PRESSURE: 959000 -97.6155 106.926 -2.80339 106.926 -464.056 95.1566 -2.80393 95.1574 -179.185 GPRESSURE: 959000 -90.6421 87.5262 89.9517 225.053 -379.799 77.4587 20.1385 70.0053 -183.07 PRESSAVG: 959000 9.68747 -8.45337 27.6563 -8.45336 11.5522 -30.4012 27.6563 -30.4013 56.0633 GPRESSAVG: 959000 9.69421 -7.95959 27.0548 -7.60101 10.092 -32.684 26.7869 -27.1605 56.6055 TIMING: 959000 CPU: 2879.79, 0.00302461/step Wall: 2879.79, 0.00302461/step, 3.39513 hours remaining, 207.910156 MB of memory in use. ENERGY: 959000 762.8562 2040.5938 1945.4069 112.5234 -206066.9712 17553.1985 0.0000 0.0000 34336.6194 -149315.7730 299.8702 -183652.3924 -149216.2013 299.4729 -246.9522 -217.8370 558440.0739 25.7676 25.4639 PRESSURE: 959200 -223.302 65.566 -126.195 65.566 -12.542 106.27 -126.194 106.269 -202.909 GPRESSURE: 959200 -233.513 -4.49866 -105.651 40.5674 37.1251 165.59 -133.496 -48.4466 -136.495 PRESSAVG: 959200 -11.7583 5.81955 13.8792 5.81941 -17.2585 -21.8217 13.8792 -21.8216 4.51088 GPRESSAVG: 959200 -13.063 5.69551 15.4699 5.327 -16.3296 -19.5396 15.2031 -23.716 5.44951 TIMING: 959200 CPU: 2880.4, 0.00305116/step Wall: 2880.4, 0.00305116/step, 3.42475 hours remaining, 207.910156 MB of memory in use. ENERGY: 959200 750.0223 2079.4052 1941.5253 114.8345 -206142.4537 17666.8879 0.0000 0.0000 34336.8899 -149252.8886 299.8726 -183589.7785 -149155.5289 299.5102 -146.2511 -110.9611 558058.6848 -8.1686 -7.9810 PRESSURE: 959400 333.528 117.088 67.2502 117.087 64.8099 74.0164 67.2503 74.0186 98.2989 GPRESSURE: 959400 340.719 37.4715 91.9815 147.208 127.761 52.1756 68.1007 71.9783 127.588 PRESSAVG: 959400 -79.1328 30.3002 19.6861 30.3003 -7.36461 21.8718 19.686 21.8719 63.5333 GPRESSAVG: 959400 -77.7293 30.4411 19.919 31.0141 -6.95554 19.4991 19.7866 23.9539 61.3656 TIMING: 959400 CPU: 2881.01, 0.00306832/step Wall: 2881.01, 0.00306832/step, 3.44385 hours remaining, 207.910156 MB of memory in use. ENERGY: 959400 768.9920 2066.4669 1934.8932 122.4616 -206377.7187 17976.5710 0.0000 0.0000 34120.9869 -149387.3472 297.9871 -183508.3340 -149290.9867 299.4424 165.5457 198.6895 555622.2499 -7.6547 -7.7731 PRESSURE: 959600 82.5188 -40.2087 -62.2312 -40.2088 146.444 -64.8447 -62.2317 -64.8433 30.6406 GPRESSURE: 959600 114.831 -109.493 21.2141 -90.169 176.346 -65.9203 -37.197 -143.194 64.7481 PRESSAVG: 959600 3.93183 3.66244 10.4361 3.66254 -11.2221 22.291 10.4362 22.2909 21.6179 GPRESSAVG: 959600 3.27046 2.61471 9.19488 1.87241 -11.0906 25.3261 9.83229 21.7348 22.2378 TIMING: 959600 CPU: 2881.62, 0.0030542/step Wall: 2881.62, 0.00305421/step, 3.42784 hours remaining, 207.910156 MB of memory in use. ENERGY: 959600 730.3519 2086.4147 1924.3493 127.7947 -206399.1164 17917.6206 0.0000 0.0000 34278.2934 -149334.2918 299.3609 -183612.5852 -149238.7057 299.5661 86.5345 118.6418 557443.7019 4.7759 4.8059 PRESSURE: 959800 -381.565 11.4737 4.45728 11.4744 -146.181 24.6286 4.45818 24.63 -48.6149 GPRESSURE: 959800 -350.255 18.2024 90.8582 -14.2001 -71.5573 -31.9592 -34.8626 9.63296 -50.6328 PRESSAVG: 959800 45.5542 -30.0972 19.9755 -30.0972 1.277 14.2312 19.9755 14.2313 15.6285 GPRESSAVG: 959800 45.1585 -30.8533 21.5816 -29.1261 0.933424 12.7213 18.7402 12.6805 15.9749 TIMING: 959800 CPU: 2882.23, 0.00303122/step Wall: 2882.23, 0.00303122/step, 3.40187 hours remaining, 207.910156 MB of memory in use. ENERGY: 959800 787.4760 2084.7076 1896.8628 110.0309 -206106.0676 17795.0074 0.0000 0.0000 34053.3071 -149378.6759 297.3960 -183431.9830 -149281.0912 299.2209 -192.1201 -157.4817 558937.2723 20.8199 20.6890 PRESSURE: 960000 -72.4926 -320.601 66.5423 -320.602 73.5474 34.7307 66.5429 34.7311 -132.986 GPRESSURE: 960000 -70.3418 -282.461 28.0775 -295.844 124.661 23.2512 123.448 77.8829 -98.8508 PRESSAVG: 960000 84.931 -51.8152 -16.535 -51.8151 -27.042 -20.6668 -16.535 -20.6669 -26.8345 GPRESSAVG: 960000 84.9175 -48.6622 -16.0812 -51.4908 -27.618 -20.9653 -16.0994 -20.6948 -26.4316 TIMING: 960000 CPU: 2882.83, 0.0029919/step Wall: 2882.83, 0.0029919/step, 3.35758 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: 960000 756.0905 2110.4072 1898.0019 121.8671 -206445.4927 17882.6973 0.0000 0.0000 34290.5076 -149385.9210 299.4675 -183676.4287 -149282.0124 298.8558 -43.9771 -14.8439 558359.8679 10.3515 10.2893 PRESSURE: 960200 74.121 -122.427 -50.3791 -122.427 -121.356 -18.4718 -50.3777 -18.4716 -307.143 GPRESSURE: 960200 86.3946 -96.3378 -59.4594 -110.111 -94.9962 -119.562 -64.4803 54.9655 -244.481 PRESSAVG: 960200 13.9621 16.3371 3.02318 16.3372 -18.7422 -42.9014 3.02318 -42.9015 6.56747 GPRESSAVG: 960200 13.9459 14.6516 1.12142 16.7503 -18.1647 -42.972 4.21683 -40.6813 5.20784 TIMING: 960200 CPU: 2883.43, 0.00303016/step Wall: 2883.43, 0.00303016/step, 3.40034 hours remaining, 207.910156 MB of memory in use. ENERGY: 960200 788.9420 2122.9539 1924.9036 111.3516 -206364.1494 17825.4982 0.0000 0.0000 34218.1995 -149372.3005 298.8360 -183590.4999 -149277.9010 298.5521 -118.1261 -84.3607 557517.5573 0.5958 0.3297 LDB: ============= START OF LOAD BALANCING ============== 2886.95 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2886.96 LDB: =============== DONE WITH MIGRATION ================ 2886.96 LDB: ============= START OF LOAD BALANCING ============== 2887.26 LDB: Largest compute 4800 load 0.028209 is 23.9% of average load 0.117883 LDB: Average compute 0.001734 is 1.5% of average load 0.117883 LDB: TIME 2887.27 LOAD: AVG 0.117883 MAX 0.213918 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.738 MB LDB: TIME 2887.27 LOAD: AVG 0.117883 MAX 0.213918 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.738 MB LDB: TIME 2887.27 LOAD: AVG 0.117883 MAX 0.213918 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.738 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2887.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2887.27 PRESSURE: 960400 -215.681 99.3994 -151.488 99.4004 -157.659 100.418 -151.487 100.418 182.414 GPRESSURE: 960400 -191.908 96.8249 -147.441 67.7565 -119.992 99.2931 -131.441 104.722 222.356 PRESSAVG: 960400 16.4635 -22.3256 -12.2375 -22.3256 11.3972 -15.8668 -12.2375 -15.8668 -1.07815 GPRESSAVG: 960400 16.5293 -22.7491 -11.2144 -21.82 10.1489 -15.3083 -11.7319 -18.3863 -0.738202 TIMING: 960400 CPU: 2884.06, 0.00312033/step Wall: 2884.06, 0.00312033/step, 3.50136 hours remaining, 206.996094 MB of memory in use. ENERGY: 960400 722.1628 2119.1848 1898.5849 106.5158 -206290.4479 17743.7180 0.0000 0.0000 34287.4791 -149412.8025 299.4411 -183700.2816 -149317.9595 299.1168 -63.6419 -29.8481 556528.2813 8.9275 8.6467 PRESSURE: 960600 17.4769 35.3219 -15.5031 35.3226 -272.512 -16.794 -15.5042 -16.794 -398.456 GPRESSURE: 960600 36.1144 -55.6042 -106.611 37.7045 -240.494 31.8506 -83.2199 -1.4368 -356.069 PRESSAVG: 960600 -14.6055 24.9135 -8.32933 24.9135 -1.81235 3.95904 -8.32929 3.95906 0.089023 GPRESSAVG: 960600 -14.9362 25.6529 -5.63881 26.1688 -0.0243214 4.57825 -11.497 3.38368 -1.8167 TIMING: 960600 CPU: 2884.66, 0.00303762/step Wall: 2884.66, 0.00303762/step, 3.40838 hours remaining, 206.996094 MB of memory in use. ENERGY: 960600 768.8503 2143.7155 1954.8136 116.5867 -206291.6650 17688.1757 0.0000 0.0000 34275.5606 -149343.9626 299.3370 -183619.5232 -149247.0154 298.8546 -217.8304 -186.8162 559137.3673 -5.4429 -5.5924 PRESSURE: 960800 143.321 44.4241 -82.5666 44.4251 17.8772 -40.3814 -82.5687 -40.3793 8.47268 GPRESSURE: 960800 160.807 102.808 -118.329 12.6865 78.3686 -46.6649 -32.4692 -34.3629 32.9664 PRESSAVG: 960800 41.9339 25.9054 52.413 25.9054 15.3383 8.22791 52.413 8.22807 19.4539 GPRESSAVG: 960800 41.6919 25.4369 50.2868 24.3876 14.1643 7.80878 53.5708 8.99048 20.9997 TIMING: 960800 CPU: 2885.27, 0.00302543/step Wall: 2885.27, 0.00302543/step, 3.39453 hours remaining, 206.996094 MB of memory in use. ENERGY: 960800 741.1444 2094.2975 1957.2593 108.0605 -206250.8929 17867.0660 0.0000 0.0000 34220.6267 -149262.4386 298.8572 -183483.0653 -149171.2220 299.8125 56.5568 90.7140 555867.3016 25.5754 25.6186 PRESSURE: 961000 -23.4646 136.286 -8.90791 136.287 -53.0032 -98.2514 -8.90753 -98.2523 -189.18 GPRESSURE: 961000 20.3363 155.035 43.6432 127.405 -54.2801 -134.323 46.2102 -38.5237 -137.073 PRESSAVG: 961000 3.31028 5.02877 35.7672 5.02872 -20.0524 24.1784 35.7672 24.1783 3.69499 GPRESSAVG: 961000 3.18106 5.60928 35.0134 5.52424 -19.4077 23.2171 37.1403 25.5355 3.09602 TIMING: 961000 CPU: 2885.87, 0.00301452/step Wall: 2885.87, 0.00301452/step, 3.38212 hours remaining, 207.253906 MB of memory in use. ENERGY: 961000 740.3582 2127.0861 1964.6795 117.3201 -206033.4509 17638.8703 0.0000 0.0000 34174.6712 -149270.4655 298.4559 -183445.1367 -149174.0111 298.9651 -88.5494 -57.0057 556639.4500 -4.3490 -4.3769 PRESSURE: 961200 -113.884 8.04013 55.5542 8.04119 177.614 -90.1159 55.5531 -90.1157 -0.866886 GPRESSURE: 961200 -26.3601 -56.7962 124.28 -32.7866 182.074 -61.7918 32.652 -142.335 19.2505 PRESSAVG: 961200 20.4071 -5.60439 0.46132 -5.60435 -12.911 -21.7989 0.46125 -21.7988 -16.9457 GPRESSAVG: 961200 20.9303 -8.16899 -2.23469 -6.33007 -12.9769 -20.7111 -0.509459 -23.2285 -17.5935 TIMING: 961200 CPU: 2886.48, 0.00301836/step Wall: 2886.48, 0.00301836/step, 3.38627 hours remaining, 207.253906 MB of memory in use. ENERGY: 961200 778.2975 2105.9801 1943.8359 111.1694 -206295.2464 17828.9360 0.0000 0.0000 34254.0723 -149272.9553 299.1493 -183527.0277 -149181.7916 298.9381 20.9544 58.3214 556786.1979 -3.1499 -3.2134 PRESSURE: 961400 99.628 61.9839 106.369 61.984 -239 100.798 106.37 100.799 43.4175 GPRESSURE: 961400 177.3 87.8137 132.484 91.6488 -204.341 6.23297 88.2148 117.583 37.9069 PRESSAVG: 961400 -7.22171 40.2068 5.33749 40.2069 33.2491 40.4076 5.33754 40.4077 23.6348 GPRESSAVG: 961400 -7.76461 41.7786 7.3146 38.8394 32.9511 39.5249 4.45227 40.0548 24.8542 TIMING: 961400 CPU: 2887.07, 0.00297058/step Wall: 2887.07, 0.00297058/step, 3.3325 hours remaining, 207.253906 MB of memory in use. ENERGY: 961400 756.1409 2108.7487 1949.6974 105.2695 -206386.0079 17909.0901 0.0000 0.0000 34273.3292 -149283.7321 299.3175 -183557.0613 -149187.5473 299.7648 -31.9847 3.6219 557520.0296 16.5541 16.6802 PRESSURE: 961600 80.8509 48.908 -33.7282 48.9077 193.174 -206.524 -33.7297 -206.526 4.90167 GPRESSURE: 961600 78.4765 62.4518 1.09467 -9.19336 178.54 -257.042 -59.286 -192.74 120.287 PRESSAVG: 961600 36.1719 36.2824 -23.3041 36.2825 -11.3784 37.5014 -23.304 37.5014 -17.6955 GPRESSAVG: 961600 34.6605 36.1992 -24.8191 35.1669 -10.1763 39.8615 -22.74 38.7984 -17.4331 TIMING: 961600 CPU: 2887.67, 0.00300564/step Wall: 2887.67, 0.00300564/step, 3.37167 hours remaining, 207.253906 MB of memory in use. ENERGY: 961600 737.8967 2073.9484 1977.7596 120.1886 -206627.6186 18206.9538 0.0000 0.0000 34205.2945 -149305.5769 298.7233 -183510.8714 -149205.0668 299.1226 92.9756 125.7676 558339.4326 2.3660 2.3504 PRESSURE: 961800 170.929 -49.4336 73.4532 -49.433 -146.874 -29.8259 73.4543 -29.8261 -42.702 GPRESSURE: 961800 194.325 -74.8593 7.05761 -62.2432 -117.412 -83.6324 95.1718 30.7538 5.91409 PRESSAVG: 961800 35.9569 65.6432 -2.58087 65.6431 -3.95669 -44.908 -2.58094 -44.9081 -11.8943 GPRESSAVG: 961800 37.3969 65.9612 -2.14305 66.3032 -4.31878 -47.0098 -0.98239 -44.6508 -13.0216 TIMING: 961800 CPU: 2888.28, 0.0030238/step Wall: 2888.28, 0.0030238/step, 3.39187 hours remaining, 207.253906 MB of memory in use. ENERGY: 961800 777.4301 2109.4437 1972.0103 108.3232 -206471.7140 17822.1709 0.0000 0.0000 34221.0932 -149461.2425 298.8613 -183682.3358 -149360.4448 298.3859 -6.2155 27.6090 557112.7273 6.7020 6.6855 PRESSURE: 962000 325.889 -65.4627 47.3567 -65.4638 185.436 59.7638 47.3563 59.7642 106.811 GPRESSURE: 962000 336.228 -75.1918 96.6714 -168.025 196.443 15.4385 -30.2323 79.5546 187.972 PRESSAVG: 962000 41.1595 -48.9221 0.332867 -48.922 35.5546 -14.211 0.332899 -14.211 -61.7104 GPRESSAVG: 962000 40.5159 -47.7616 0.919582 -47.9152 34.8513 -14.4215 -0.961419 -15.1518 -60.3212 TIMING: 962000 CPU: 2888.89, 0.00304688/step Wall: 2888.89, 0.00304688/step, 3.41759 hours remaining, 207.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 962000 722.0601 2117.8307 1949.3039 118.0660 -206696.2239 18212.6463 0.0000 0.0000 34204.6368 -149371.6801 298.7176 -183576.3169 -149278.0335 298.4863 206.0452 240.2145 555877.9682 5.0012 5.0153 PRESSURE: 962200 -77.7611 121.907 158.388 121.907 7.6299 35.6465 158.388 35.6471 -55.5304 GPRESSURE: 962200 -52.9599 132.014 251.832 142.181 30.2386 41.3922 160.368 -11.5427 -2.26312 PRESSAVG: 962200 14.1294 16.4085 -22.4113 16.4085 -0.820651 -16.7288 -22.4112 -16.7287 7.59411 GPRESSAVG: 962200 14.5094 17.9094 -23.8457 14.8701 -0.731906 -18.3916 -21.1797 -15.3508 6.54304 TIMING: 962200 CPU: 2889.49, 0.0030436/step Wall: 2889.49, 0.0030436/step, 3.41374 hours remaining, 207.253906 MB of memory in use. ENERGY: 962200 761.7159 2102.1075 1958.6085 121.2850 -206262.7015 17827.5468 0.0000 0.0000 34050.7043 -149440.7335 297.3733 -183491.4378 -149342.4077 298.6484 -41.8872 -8.3281 556450.6380 6.9676 6.7735 PRESSURE: 962400 -189.042 -94.2616 -38.6181 -94.2605 -154.685 -87.825 -38.6177 -87.8251 -38.8575 GPRESSURE: 962400 -138.941 -69.4069 -40.1072 -58.6524 -137.198 -17.5435 -32.6916 -56.5029 -2.44103 PRESSAVG: 962400 44.7304 24.7567 -31.6256 24.7567 -19.1397 2.23525 -31.6256 2.23526 -43.4348 GPRESSAVG: 962400 45.1746 23.295 -31.9031 26.7486 -19.7573 5.43242 -30.8037 -1.87801 -43.4317 TIMING: 962400 CPU: 2890.1, 0.0030298/step Wall: 2890.1, 0.0030298/step, 3.39809 hours remaining, 207.253906 MB of memory in use. ENERGY: 962400 748.7381 2055.0058 1958.8959 100.2821 -206087.0105 17533.2403 0.0000 0.0000 34208.6157 -149482.2326 298.7523 -183690.8483 -149380.5789 298.9386 -127.5280 -92.8597 557204.4536 -5.9480 -6.0048 PRESSURE: 962600 -261.433 190.251 -63.0707 190.25 -217.632 -25.2528 -63.0711 -25.2533 -242.074 GPRESSURE: 962600 -238.294 248.983 -12.0895 162.749 -219.828 10.4927 -26.9233 -47.6897 -168.427 PRESSAVG: 962600 4.68687 34.9767 -4.8091 34.9767 2.50567 -13.1288 -4.80913 -13.1288 -15.1924 GPRESSAVG: 962600 4.5434 34.3506 -4.59195 34.7422 2.3844 -15.2775 -4.85597 -10.3514 -14.9131 TIMING: 962600 CPU: 2890.7, 0.00300709/step Wall: 2890.7, 0.00300709/step, 3.37245 hours remaining, 207.253906 MB of memory in use. ENERGY: 962600 760.5122 2125.6907 1969.8948 122.5679 -206068.2090 17486.1131 0.0000 0.0000 34212.5088 -149390.9214 298.7863 -183603.4302 -149291.5173 298.9398 -240.3796 -208.8499 557031.7653 -2.6666 -2.6618 PRESSURE: 962800 -39.2742 60.2615 24.9192 60.2612 -186.725 -7.82732 24.9198 -7.82673 -40.9175 GPRESSURE: 962800 15.4113 105.458 -42.6914 15.3281 -156.482 -55.16 -6.72883 115.116 -23.0681 PRESSAVG: 962800 -45.5608 -12.4826 -7.19713 -12.4826 9.12327 -38.4945 -7.19723 -38.4945 20.4726 GPRESSAVG: 962800 -46.6167 -13.3719 -6.53057 -14.5953 10.0406 -37.0655 -10.3833 -38.3453 20.3488 TIMING: 962800 CPU: 2891.3, 0.00299108/step Wall: 2891.3, 0.00299108/step, 3.35433 hours remaining, 207.253906 MB of memory in use. ENERGY: 962800 752.9525 2112.9310 1911.7162 110.5868 -206120.4859 17688.8530 0.0000 0.0000 34415.2431 -149128.2033 300.5569 -183543.4464 -149035.8293 299.0913 -88.9721 -54.7130 558175.7309 -5.3216 -5.4091 PRESSURE: 963000 -56.8374 -15.4838 168.984 -15.4838 -532.916 -105.838 168.983 -105.838 -166.887 GPRESSURE: 963000 -35.7039 -80.9262 162.294 35.1663 -487.632 -99.54 175.36 -132.109 -138.25 PRESSAVG: 963000 -0.790263 -6.32559 -4.80748 -6.32571 -4.10835 -55.683 -4.80744 -55.683 -12.8256 GPRESSAVG: 963000 0.483209 -6.07117 -4.80877 -3.86148 -4.41785 -54.6711 -3.18092 -55.4555 -13.5122 TIMING: 963000 CPU: 2891.9, 0.00301055/step Wall: 2891.9, 0.00301055/step, 3.376 hours remaining, 207.253906 MB of memory in use. ENERGY: 963000 765.6459 2096.5108 1941.0219 111.2018 -205914.2644 17483.3384 0.0000 0.0000 34151.5969 -149364.9487 298.2544 -183516.5456 -149267.9256 299.3124 -252.2134 -220.5284 558214.3438 -5.9081 -5.8156 PRESSURE: 963200 -242.886 -91.8924 109.584 -91.8927 -102.682 -50.1587 109.582 -50.1603 -108.129 GPRESSURE: 963200 -202.647 -39.001 96.4932 -158.512 -21.8289 -106.92 66.4228 -57.1327 -137.064 PRESSAVG: 963200 44.2728 -43.724 38.2525 -43.724 -16.4724 -26.1869 38.2525 -26.1868 -4.74941 GPRESSAVG: 963200 44.3921 -45.1761 38.3109 -45.0246 -16.7073 -28.3074 38.6211 -26.3157 -4.47884 TIMING: 963200 CPU: 2892.51, 0.00303567/step Wall: 2892.51, 0.00303567/step, 3.40399 hours remaining, 207.253906 MB of memory in use. ENERGY: 963200 787.0336 2089.9071 1919.6798 102.1849 -206181.2445 17623.2470 0.0000 0.0000 34257.6400 -149401.5521 299.1805 -183659.1920 -149309.7781 298.8941 -151.2322 -120.5133 556773.7350 7.6837 7.7353 PRESSURE: 963400 123.884 86.062 120.642 86.0616 267.735 134.928 120.642 134.929 157.729 GPRESSURE: 963400 183.226 103.315 84.9122 118.119 283.722 140.688 155.565 80.4391 169.954 PRESSAVG: 963400 -21.4505 -22.1543 41.0585 -22.1543 14.969 36.9993 41.0585 36.9993 4.06879 GPRESSAVG: 963400 -22.336 -21.4049 40.8127 -21.1539 15.4146 37.4008 40.4272 37.5505 4.10892 TIMING: 963400 CPU: 2893.11, 0.00301315/step Wall: 2893.11, 0.00301315/step, 3.37858 hours remaining, 207.253906 MB of memory in use. ENERGY: 963400 731.6963 2096.7398 1930.4954 125.0962 -206646.0585 18000.6784 0.0000 0.0000 34144.5684 -149616.7841 298.1930 -183761.3525 -149521.2123 299.0982 183.1158 212.3007 556324.6734 -0.8042 -0.9375 PRESSURE: 963600 -133.966 -32.0959 17.8527 -32.0941 26.9194 39.2231 17.8531 39.2229 -70.514 GPRESSURE: 963600 -40.1333 27.7326 72.1029 -74.6569 7.80825 -48.2065 -21.7466 54.3134 -46.6396 PRESSAVG: 963600 40.6422 3.78668 10.7499 3.78662 9.50479 17.1023 10.7499 17.1023 -46.5992 GPRESSAVG: 963600 42.5998 1.83546 8.18383 5.36139 9.12208 16.4563 12.8153 19.1194 -47.9712 TIMING: 963600 CPU: 2893.72, 0.00304361/step Wall: 2893.72, 0.00304361/step, 3.41257 hours remaining, 207.253906 MB of memory in use. ENERGY: 963600 764.5184 2056.8931 1923.9257 107.9987 -206696.7917 18004.7284 0.0000 0.0000 34379.2724 -149459.4550 300.2427 -183838.7274 -149370.1534 298.4810 -59.1870 -26.3215 557447.8998 1.1826 1.2502 PRESSURE: 963800 103.701 -167.326 -43.5761 -167.324 13.5281 123.207 -43.5762 123.209 -95.4658 GPRESSURE: 963800 116.208 -85.1078 -5.29619 -157.594 17.5593 14.6118 -49.5765 35.6298 -2.67269 PRESSAVG: 963800 9.40674 -23.9727 39.5492 -23.9725 53.891 55.8672 39.5492 55.8673 3.99631 GPRESSAVG: 963800 8.49551 -22.1071 41.3479 -25.0435 54.05 57.8996 40.4478 52.5525 4.64613 TIMING: 963800 CPU: 2894.33, 0.00302781/step Wall: 2894.33, 0.00302781/step, 3.39468 hours remaining, 207.253906 MB of memory in use. ENERGY: 963800 697.2032 2177.3062 1920.5551 98.1882 -206251.3960 17853.1680 0.0000 0.0000 34194.4276 -149310.5478 298.6284 -183504.9753 -149209.1891 299.7443 7.2546 43.6980 558952.1545 22.4314 22.3972 PRESSURE: 964000 30.2321 19.7545 70.7133 19.7553 92.1738 42.9715 70.7147 42.9719 -154.726 GPRESSURE: 964000 21.9012 12.4645 46.5921 2.30751 134.381 -32.7199 32.4869 77.2925 -106.422 PRESSAVG: 964000 -9.77554 -39.9251 -19.0333 -39.9251 -17.8244 24.7018 -19.0334 24.7018 6.36275 GPRESSAVG: 964000 -11.3971 -40.9825 -18.5936 -41.073 -17.2025 22.333 -23.0778 26.7365 6.82527 TIMING: 964000 CPU: 2894.93, 0.00304151/step Wall: 2894.93, 0.00304151/step, 3.40987 hours remaining, 207.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 964000 742.6482 2108.3524 1935.8508 123.9311 -206297.5905 17767.8328 0.0000 0.0000 34371.4054 -149247.5699 300.1740 -183618.9752 -149153.4954 299.0722 -10.7732 16.6201 559016.8938 -7.0791 -7.2581 PRESSURE: 964200 -43.0384 -93.8195 -88.7265 -93.8196 -16.4381 -69.9105 -88.7279 -69.9094 193.601 GPRESSURE: 964200 -10.556 -124.025 -76.2334 -103.646 87.4252 -76.9247 -115.154 11.1446 152.05 PRESSAVG: 964200 -38.397 -49.3098 3.13619 -49.3098 16.1728 57.8152 3.13611 57.8153 60.1487 GPRESSAVG: 964200 -37.3062 -48.2049 1.76882 -48.9111 15.4543 60.3402 6.76774 56.9859 60.4133 TIMING: 964200 CPU: 2895.54, 0.0030534/step Wall: 2895.54, 0.0030534/step, 3.42303 hours remaining, 207.253906 MB of memory in use. ENERGY: 964200 733.2493 2119.7710 1921.1828 105.2359 -206543.6422 17963.2924 0.0000 0.0000 34467.0514 -149233.8594 301.0093 -183700.9108 -149137.0910 299.6726 44.7080 76.3064 557671.9612 12.6415 12.8538 LDB: ============= START OF LOAD BALANCING ============== 2899.07 LDB: ============== END OF LOAD BALANCING =============== 2899.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2899.07 LDB: ============= START OF LOAD BALANCING ============== 2899.38 LDB: Largest compute 4800 load 0.026478 is 22.5% of average load 0.117905 LDB: Average compute 0.001739 is 1.5% of average load 0.117905 LDB: TIME 2899.38 LOAD: AVG 0.117905 MAX 0.21587 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.707 MB LDB: TIME 2899.38 LOAD: AVG 0.117905 MAX 0.21587 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.91 MB LDB: TIME 2899.38 LOAD: AVG 0.117905 MAX 0.21587 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.91 MB LDB: ============== END OF LOAD BALANCING =============== 2899.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2899.39 PRESSURE: 964400 -171.86 -2.98335 -83.0799 -2.9835 -68.7705 110.331 -83.0798 110.33 166.398 GPRESSURE: 964400 -105.363 1.49948 -151.687 25.7878 -41.8494 49.1601 -126.569 128.406 189.178 PRESSAVG: 964400 45.4839 -17.6046 -8.53855 -17.6046 -42.001 33.8007 -8.53851 33.8007 52.7964 GPRESSAVG: 964400 45.5159 -18.0417 -9.14495 -16.5228 -41.041 31.6578 -7.95154 35.6828 51.8053 TIMING: 964400 CPU: 2896.17, 0.0031381/step Wall: 2896.17, 0.0031381/step, 3.5178 hours remaining, 207.777344 MB of memory in use. ENERGY: 964400 749.0096 2158.7223 1902.7901 109.7311 -205772.8430 17608.3345 0.0000 0.0000 34148.9064 -149095.3488 298.2309 -183244.2553 -148989.3896 299.3403 -24.7442 13.9886 558810.3076 18.7598 18.7601 PRESSURE: 964600 51.2245 102.569 81.1862 102.57 82.9198 20.5448 81.1861 20.5445 30.8655 GPRESSURE: 964600 85.2152 100.758 96.9719 105.39 66.3996 -1.4189 105.616 -10.4124 109.811 PRESSAVG: 964600 -60.0821 4.36809 -21.0056 4.36814 -26.9437 22.5597 -21.0055 22.5597 59.5609 GPRESSAVG: 964600 -58.8999 4.92883 -18.9636 4.00141 -29.2345 22.0852 -23.0783 22.0881 60.6327 TIMING: 964600 CPU: 2896.78, 0.00303224/step Wall: 2896.78, 0.00303224/step, 3.39897 hours remaining, 207.777344 MB of memory in use. ENERGY: 964600 730.8645 2071.2654 1955.7739 121.3134 -206308.6668 17883.3490 0.0000 0.0000 34458.9973 -149087.1032 300.9390 -183546.1005 -148988.1781 299.5144 55.0033 87.1420 557710.9337 -9.1550 -9.1672 PRESSURE: 964800 67.0135 77.4699 -15.8998 77.4691 266.539 -49.0122 -15.9003 -49.0117 255.653 GPRESSURE: 964800 195.277 79.0913 11.1952 85.1279 275.982 -32.0212 -11.0975 -57.7159 226.438 PRESSAVG: 964800 16.1674 -29.3268 -30.8907 -29.3267 -5.30032 -1.46841 -30.8906 -1.46837 2.37852 GPRESSAVG: 964800 14.4931 -29.8646 -31.8096 -29.5131 -4.27519 1.04081 -29.7197 -3.16192 2.1264 TIMING: 964800 CPU: 2897.38, 0.00302977/step Wall: 2897.38, 0.00302977/step, 3.39604 hours remaining, 207.777344 MB of memory in use. ENERGY: 964800 750.7948 2140.8865 1923.8277 104.7936 -206509.3661 18194.2536 0.0000 0.0000 34344.8543 -149049.9556 299.9422 -183394.8099 -148954.2292 299.6379 196.4016 232.5660 557162.2612 4.4152 4.1148 PRESSURE: 965000 7.45308 14.8501 -195.182 14.8488 -365.39 119.458 -195.181 119.458 -98.0784 GPRESSURE: 965000 10.9566 -2.83972 -190.101 5.52616 -271.069 88.9946 -156.11 105.954 -85.4815 PRESSAVG: 965000 13.3523 39.1267 -33.9733 39.1268 -11.6442 66.8442 -33.9734 66.8443 26.9208 GPRESSAVG: 965000 13.7026 39.8483 -34.1 40.0043 -11.0174 65.4138 -34.1225 66.8053 25.9693 TIMING: 965000 CPU: 2897.99, 0.00301964/step Wall: 2897.99, 0.00301964/step, 3.38452 hours remaining, 207.777344 MB of memory in use. ENERGY: 965000 768.8043 2134.0271 1956.1929 116.4648 -205930.5274 17489.5344 0.0000 0.0000 34417.3833 -149048.1206 300.5756 -183465.5039 -148953.3733 300.3030 -152.0051 -115.1979 556903.9258 9.5430 9.5515 PRESSURE: 965200 -278.802 108.933 -60.4436 108.932 -232.666 -97.4727 -60.4412 -97.4721 -51.7534 GPRESSURE: 965200 -264.751 121.43 -54.7649 150.677 -177.308 -154.536 -41.7597 27.3142 -26.701 PRESSAVG: 965200 -36.0576 -27.3162 -34.6093 -27.3163 -59.9415 -23.5549 -34.6092 -23.555 77.9365 GPRESSAVG: 965200 -36.0301 -27.1995 -35.3539 -29.028 -61.3045 -25.2235 -34.8962 -20.5423 79.0638 TIMING: 965200 CPU: 2898.59, 0.00301343/step Wall: 2898.59, 0.00301343/step, 3.37738 hours remaining, 207.777344 MB of memory in use. ENERGY: 965200 767.8873 2105.9010 1930.4458 120.1563 -205871.1756 17669.9251 0.0000 0.0000 34115.1937 -149161.6664 297.9365 -183276.8601 -149066.9668 299.8191 -187.7405 -156.2533 558464.5457 -6.0209 -6.0903 PRESSURE: 965400 -357.769 185.011 19.9303 185.011 116.947 87.9819 19.9309 87.9795 -11.7512 GPRESSURE: 965400 -349.865 175.496 43.9006 187.837 142.321 137.855 34.3795 93.0483 47.954 PRESSAVG: 965400 -45.9278 43.8567 -8.03176 43.8568 7.44129 30.8608 -8.03184 30.8609 16.4692 GPRESSAVG: 965400 -46.3503 45.2714 -5.87202 42.2107 7.26888 32.1238 -6.35434 29.1103 16.1423 TIMING: 965400 CPU: 2899.19, 0.00300439/step Wall: 2899.19, 0.00300439/step, 3.36709 hours remaining, 207.777344 MB of memory in use. ENERGY: 965400 749.2956 2079.7379 1931.1118 102.1591 -206090.3581 17708.0133 0.0000 0.0000 34517.5898 -149002.4505 301.4507 -183520.0403 -148903.1651 299.7678 -84.1911 -53.1966 557498.1983 -7.3391 -7.6464 PRESSURE: 965600 282.636 29.3235 96.9667 29.3239 48.9658 31.398 96.9672 31.3996 -378.39 GPRESSURE: 965600 312.254 -16.5677 222.066 62.8275 87.8658 -22.6638 62.0185 55.6093 -338.452 PRESSAVG: 965600 60.6796 -3.45331 44.8158 -3.4532 -47.712 11.4982 44.8157 11.4982 9.95511 GPRESSAVG: 965600 62.9719 -5.16452 45.5662 -1.87829 -48.086 11.1206 43.0346 12.4212 8.05416 TIMING: 965600 CPU: 2899.8, 0.00304231/step Wall: 2899.8, 0.00304231/step, 3.40941 hours remaining, 207.777344 MB of memory in use. ENERGY: 965600 740.6786 2073.2510 1945.0245 110.7773 -206036.3913 17707.4576 0.0000 0.0000 34510.1893 -148949.0130 301.3861 -183459.2023 -148857.6856 300.2504 -15.5960 20.5558 557848.6357 7.6409 7.6467 PRESSURE: 965800 143.542 -29.6443 122.63 -29.6437 -11.896 110.589 122.63 110.59 144.058 GPRESSURE: 965800 210.104 -3.14799 85.0268 29.616 -27.996 188.475 70.0469 66.3289 179.678 PRESSAVG: 965800 63.1989 13.923 17.3519 13.923 9.90344 15.712 17.3518 15.712 -74.8072 GPRESSAVG: 965800 63.6746 11.5774 16.7385 14.4392 9.27854 17.2126 17.6819 13.7985 -74.1002 TIMING: 965800 CPU: 2900.41, 0.00305554/step Wall: 2900.41, 0.00305554/step, 3.42408 hours remaining, 207.777344 MB of memory in use. ENERGY: 965800 736.4678 2039.1601 1944.3968 109.1218 -206188.0377 17839.3967 0.0000 0.0000 34575.2167 -148944.2779 301.9540 -183519.4946 -148843.3861 300.5498 91.9012 120.5955 556648.9834 -0.5683 -0.3824 PRESSURE: 966000 -211.382 72.7101 -100.804 72.711 31.5654 -39.7892 -100.803 -39.79 -59.3005 GPRESSURE: 966000 -170.973 39.8937 -179.153 93.6269 102.329 4.45546 -21.127 -72.0395 -69.1736 PRESSAVG: 966000 10.63 36.8344 -44.8923 36.8345 -10.3506 -41.5997 -44.8922 -41.5997 -63.4429 GPRESSAVG: 966000 9.1615 38.4592 -45.5039 37.3504 -8.85889 -40.7134 -43.1468 -42.2969 -63.3399 TIMING: 966000 CPU: 2901.02, 0.00306097/step Wall: 2901.02, 0.00306097/step, 3.42999 hours remaining, 207.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 966000 727.1589 2132.4219 1944.4905 116.7570 -206050.1444 17744.9053 0.0000 0.0000 34271.5769 -149112.8339 299.3022 -183384.4108 -149004.3903 299.3953 -79.7057 -45.9392 559211.0092 -21.0545 -21.0124 PRESSURE: 966200 166.087 91.5876 82.9228 91.588 180.586 -52.8612 82.9204 -52.8612 66.9543 GPRESSURE: 966200 203.177 79.5607 89.5015 157.888 211.276 -85.3307 131.766 -149.087 87.233 PRESSAVG: 966200 13.4374 30.3095 -24.9263 30.3094 17.5954 2.74893 -24.9263 2.74893 -14.9531 GPRESSAVG: 966200 13.714 31.2326 -25.5545 30.3215 16.0537 2.12507 -24.9139 3.5471 -13.6524 TIMING: 966200 CPU: 2901.63, 0.0030218/step Wall: 2901.63, 0.0030218/step, 3.38592 hours remaining, 207.777344 MB of memory in use. ENERGY: 966200 731.3519 2157.6587 1925.3644 115.2902 -206189.1553 17829.4512 0.0000 0.0000 34302.1152 -149127.9237 299.5689 -183430.0389 -149026.5872 299.7409 137.8757 167.2287 557571.7313 5.3599 5.3717 PRESSURE: 966400 126.923 190.96 117.789 190.959 -4.0492 49.8024 117.789 49.8041 -18.939 GPRESSURE: 966400 119.896 148.475 76.6091 194.364 55.1953 164.133 96.9985 16.2784 30.3496 PRESSAVG: 966400 41.2511 18.6087 26.0522 18.6087 -15.2751 16.5728 26.0522 16.5729 4.23265 GPRESSAVG: 966400 40.7473 17.7428 26.9205 17.1466 -14.3565 15.8202 24.3758 16.0918 3.81657 TIMING: 966400 CPU: 2902.24, 0.0030362/step Wall: 2902.24, 0.0030362/step, 3.40189 hours remaining, 207.777344 MB of memory in use. ENERGY: 966400 747.4402 2129.5214 1953.3839 111.5702 -205855.1889 17741.9874 0.0000 0.0000 34168.7585 -149002.5273 298.4043 -183171.2858 -148901.9091 299.9773 34.6449 68.4805 558589.4819 10.0695 10.0691 PRESSURE: 966600 50.8717 146.916 15.0411 146.916 -188.455 -31.7844 15.0424 -31.7855 153.825 GPRESSURE: 966600 12.7774 83.2778 10.0632 268.646 -64.3036 -56.5324 71.1285 -53.0736 170.503 PRESSAVG: 966600 24.7794 -16.9454 31.8492 -16.9454 -49.674 24.1576 31.8492 24.1577 40.6723 GPRESSAVG: 966600 24.5878 -17.0067 32.1667 -16.1006 -49.0384 24.928 31.0957 24.498 39.4958 TIMING: 966600 CPU: 2902.84, 0.00300828/step Wall: 2902.84, 0.00300828/step, 3.37045 hours remaining, 207.777344 MB of memory in use. ENERGY: 966600 736.4826 2160.2431 1924.6627 122.4281 -205737.3719 17616.6999 0.0000 0.0000 34368.9235 -148807.9322 300.1524 -183176.8556 -148716.3718 300.0875 5.4142 39.6588 558855.4281 5.2592 5.0150 PRESSURE: 966800 171.471 11.3669 -16.2817 11.3649 54.4998 -28.2632 -16.2811 -28.2635 38.5816 GPRESSURE: 966800 232.906 59.5906 -24.3959 13.8285 28.2081 -66.3118 -7.00452 -39.0486 98.7935 PRESSAVG: 966800 45.0439 -17.436 -27.0101 -17.4361 -46.5274 -10.0341 -27.0101 -10.0341 -11.0149 GPRESSAVG: 966800 46.0467 -15.8176 -27.2691 -16.8736 -48.3341 -9.10061 -26.4999 -11.4591 -10.4324 TIMING: 966800 CPU: 2903.44, 0.00299358/step Wall: 2903.44, 0.00299358/step, 3.35381 hours remaining, 207.777344 MB of memory in use. ENERGY: 966800 735.7916 2084.7606 1967.2240 121.2512 -206006.7082 17927.7794 0.0000 0.0000 34337.1409 -148832.7605 299.8748 -183169.9014 -148739.3286 300.0161 88.1843 119.9692 556922.5003 -4.1661 -4.2399 PRESSURE: 967000 30.1973 143.868 85.6775 143.868 -279.2 53.9175 85.6774 53.9168 140.145 GPRESSURE: 967000 35.4748 144.327 27.4816 116.778 -238.826 112.759 102.449 -6.94909 204.228 PRESSAVG: 967000 46.1819 -33.8046 -20.5701 -33.8045 -32.7173 54.4848 -20.5701 54.4848 -37.7759 GPRESSAVG: 967000 45.6442 -34.6498 -19.2476 -34.6739 -32.1355 53.2135 -20.6347 56.2267 -37.443 TIMING: 967000 CPU: 2904.03, 0.00299226/step Wall: 2904.03, 0.00299226/step, 3.35216 hours remaining, 207.777344 MB of memory in use. ENERGY: 967000 750.3372 2102.4527 1921.5849 118.8528 -205572.3183 17563.7745 0.0000 0.0000 34446.9593 -148668.3570 300.8339 -183115.3163 -148573.8642 300.2111 -36.2861 0.2924 557939.7824 -8.1038 -7.9781 PRESSURE: 967200 -165.041 -4.12635 -114.451 -4.12631 -310.527 -54.7411 -114.451 -54.7415 -154.403 GPRESSURE: 967200 -119.535 52.3024 -147.692 -58.0597 -250.924 -72.2204 -166.991 -88.2282 -163.015 PRESSAVG: 967200 4.18227 -6.47631 14.0297 -6.47637 -56.2688 34.7155 14.0296 34.7154 37.9736 GPRESSAVG: 967200 4.06638 -6.90384 11.4487 -7.59937 -55.6713 34.9354 15.0017 34.3314 37.0411 TIMING: 967200 CPU: 2904.63, 0.0029888/step Wall: 2904.63, 0.0029888/step, 3.34812 hours remaining, 207.777344 MB of memory in use. ENERGY: 967200 736.0174 2069.6028 1929.8256 100.4964 -205389.6991 17479.7519 0.0000 0.0000 34411.9270 -148662.0781 300.5279 -183074.0051 -148564.1292 300.9034 -209.9904 -177.8250 559315.3091 -4.7043 -4.8546 PRESSURE: 967400 42.0102 1.94113 69.9168 1.93983 -233.701 -12.8465 69.9166 -12.849 163.055 GPRESSURE: 967400 90.1049 12.1995 97.4617 53.3515 -254.508 -82.5865 102.813 102.932 241.612 PRESSAVG: 967400 -26.5926 -17.4934 -3.68256 -17.4934 -19.8579 53.3254 -3.68252 53.3254 31.3553 GPRESSAVG: 967400 -26.0438 -17.2006 -2.95315 -16.7402 -20.3138 54.6284 -2.94597 54.1686 32.0759 TIMING: 967400 CPU: 2905.23, 0.00300062/step Wall: 2905.23, 0.00300062/step, 3.36119 hours remaining, 207.777344 MB of memory in use. ENERGY: 967400 730.6383 2096.9396 1947.2909 101.5142 -205386.6609 17633.8851 0.0000 0.0000 34264.0024 -148612.3905 299.2361 -182876.3929 -148520.6475 300.4528 -9.5453 25.7366 557327.1094 -5.0317 -4.7605 PRESSURE: 967600 -127.866 -180.891 -159.35 -180.891 -90.5307 -58.3919 -159.348 -58.3911 -304.001 GPRESSURE: 967600 -135.979 -248.1 -118.292 -209.939 -45.3904 -90.9655 -158.308 -38.7905 -252.324 PRESSAVG: 967600 -22.0248 -22.2721 -17.1529 -22.2721 27.9179 -7.56212 -17.1528 -7.56204 -9.23267 GPRESSAVG: 967600 -21.9152 -22.4433 -17.538 -22.1292 28.4999 -8.03054 -19.2833 -8.38668 -9.35446 TIMING: 967600 CPU: 2905.84, 0.00303869/step Wall: 2905.84, 0.00303869/step, 3.40367 hours remaining, 208.035156 MB of memory in use. ENERGY: 967600 771.3224 2087.0421 1937.4108 111.9899 -205482.8878 17489.2040 0.0000 0.0000 34546.3087 -148539.6099 301.7015 -183085.9186 -148442.8039 301.0791 -174.1326 -144.5644 559689.0101 -1.1132 -0.9232 PRESSURE: 967800 -323.289 26.8175 29.2999 26.8178 -285.422 -47.1217 29.2992 -47.122 -422.432 GPRESSURE: 967800 -291.356 -1.79605 17.1678 21.1038 -287.021 -149.532 40.9414 17.031 -357.8 PRESSAVG: 967800 -35.7592 -10.2109 15.9902 -10.2109 42.5792 -51.1472 15.9901 -51.1471 6.99453 GPRESSAVG: 967800 -36.2573 -7.63209 15.4804 -9.86767 42.6914 -51.3367 18.2816 -50.4551 7.25097 TIMING: 967800 CPU: 2906.45, 0.0030388/step Wall: 2906.45, 0.0030388/step, 3.40362 hours remaining, 208.035156 MB of memory in use. ENERGY: 967800 796.3206 2074.0316 1943.2590 123.2417 -205383.5027 17226.3708 0.0000 0.0000 34522.7701 -148697.5089 301.4959 -183220.2790 -148601.4198 300.7898 -343.7143 -312.0591 559134.4390 4.6049 4.5617 PRESSURE: 968000 -32.1174 48.6018 -78.229 48.6021 -118.472 -12.4165 -78.2279 -12.4186 -260.624 GPRESSURE: 968000 -5.27305 4.0589 -32.0089 50.0829 -56.4283 75.6617 -102.035 -35.4488 -251.377 PRESSAVG: 968000 10.4459 39.4253 39.9748 39.4253 3.96418 -44.7202 39.9748 -44.7201 0.905567 GPRESSAVG: 968000 10.176 35.4583 41.1849 40.911 4.37255 -44.8149 39.2957 -44.3106 1.66431 TIMING: 968000 CPU: 2907.06, 0.0030369/step Wall: 2907.06, 0.0030369/step, 3.40133 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: 968000 727.5775 2077.5424 1917.8659 111.5946 -205563.7369 17419.8286 0.0000 0.0000 34756.7806 -148552.5472 303.5396 -183309.3278 -148448.6495 301.2752 -137.0712 -104.3596 557774.6561 5.1052 5.4043 PRESSURE: 968200 56.7869 -42.5183 71.6276 -42.5174 224.689 -29.2572 71.6272 -29.2578 153.777 GPRESSURE: 968200 121.204 -65.7575 65.9375 -92.6507 227.916 -114.264 90.4777 -7.03722 191.146 PRESSAVG: 968200 23.0098 6.66936 -25.0141 6.66934 33.2298 2.72638 -25.014 2.72638 -55.7444 GPRESSAVG: 968200 24.7944 8.67436 -24.6669 4.52971 32.1924 1.2634 -25.25 1.44599 -56.5086 TIMING: 968200 CPU: 2907.67, 0.00305672/step Wall: 2907.67, 0.00305672/step, 3.42336 hours remaining, 208.035156 MB of memory in use. ENERGY: 968200 744.5266 2086.9025 1937.1427 127.0347 -205676.3529 17928.8432 0.0000 0.0000 34336.5530 -148515.3502 299.8697 -182851.9032 -148419.2845 301.6578 145.0843 180.0886 557995.0014 0.1651 0.1594 LDB: ============= START OF LOAD BALANCING ============== 2911.19 LDB: ============== END OF LOAD BALANCING =============== 2911.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2911.19 LDB: ============= START OF LOAD BALANCING ============== 2911.49 LDB: Largest compute 4794 load 0.026582 is 22.5% of average load 0.117919 LDB: Average compute 0.001733 is 1.5% of average load 0.117919 LDB: TIME 2911.5 LOAD: AVG 0.117919 MAX 0.213098 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.902 MB LDB: TIME 2911.5 LOAD: AVG 0.117919 MAX 0.213098 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.973 MB LDB: TIME 2911.5 LOAD: AVG 0.117919 MAX 0.213098 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.973 MB LDB: ============== END OF LOAD BALANCING =============== 2911.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2911.5 PRESSURE: 968400 -92.8012 105.072 -87.9847 105.074 -194.955 -21.3906 -87.9838 -21.391 -25.718 GPRESSURE: 968400 -75.5931 63.2828 -75.5878 97.215 -212.468 109.411 -36.9651 -11.5025 57.2881 PRESSAVG: 968400 48.3385 -25.1453 -60.3158 -25.1453 -37.0728 -31.6208 -60.3159 -31.6208 -23.4862 GPRESSAVG: 968400 46.8525 -24.566 -59.8005 -24.279 -36.3409 -30.6313 -61.0107 -32.4513 -23.6097 TIMING: 968400 CPU: 2908.29, 0.0030976/step Wall: 2908.29, 0.0030976/step, 3.46896 hours remaining, 209.425781 MB of memory in use. ENERGY: 968400 778.8690 2101.3432 1937.4517 126.9958 -205719.9686 17509.0470 0.0000 0.0000 34549.9261 -148716.3357 301.7331 -183266.2618 -148620.2654 300.8421 -104.4915 -76.9244 558353.0340 -4.0735 -4.3660 PRESSURE: 968600 -66.0135 -4.54551 -182.196 -4.54548 -324.627 -13.5393 -182.195 -13.5407 -157.499 GPRESSURE: 968600 21.7788 91.2706 -154.989 -121.591 -298.273 -32.7694 -63.5057 76.3797 -177.327 PRESSAVG: 968600 35.8559 -40.1741 -42.0957 -40.1742 -29.6648 18.5133 -42.0957 18.5133 9.24937 GPRESSAVG: 968600 35.5521 -41.2272 -44.8741 -38.0853 -29.7133 18.4836 -40.6041 18.2811 9.25984 TIMING: 968600 CPU: 2908.9, 0.00305637/step Wall: 2908.9, 0.00305637/step, 3.42262 hours remaining, 209.628906 MB of memory in use. ENERGY: 968600 752.0044 2097.0807 1931.3050 117.7882 -205323.6536 17370.2221 0.0000 0.0000 34443.8805 -148611.3726 300.8070 -183055.2531 -148511.3347 301.3307 -182.7130 -151.2737 558415.4895 5.1468 5.0329 PRESSURE: 968800 -122.089 -48.051 57.9637 -48.051 100.418 41.3035 57.9634 41.3042 -249.562 GPRESSURE: 968800 -106.527 4.48504 16.2867 -27.1343 65.6152 -44.0098 44.2901 74.7281 -147.886 PRESSAVG: 968800 1.82251 3.67003 -20.0073 3.67006 -72.8894 35.0155 -20.0074 35.0155 58.622 GPRESSAVG: 968800 1.20954 4.83481 -16.834 2.01065 -73.0265 35.8016 -22.1354 35.4646 59.6539 TIMING: 968800 CPU: 2909.5, 0.00302639/step Wall: 2909.5, 0.00302639/step, 3.38889 hours remaining, 209.628906 MB of memory in use. ENERGY: 968800 827.5870 2133.5624 1975.8644 120.9901 -205679.7503 17623.9589 0.0000 0.0000 34402.6683 -148595.1192 300.4471 -182997.7875 -148501.3592 300.3078 -90.4113 -62.9326 557957.6810 -4.1483 -4.0544 PRESSURE: 969000 134.597 133.553 -101.776 133.554 12.1349 -263.92 -101.775 -263.921 -0.103385 GPRESSURE: 969000 166.527 91.4387 -192.915 111.278 47.9664 -249.322 -130.805 -242.596 36.5947 PRESSAVG: 969000 15.4954 -30.8001 -35.389 -30.8 -31.533 -3.68492 -35.3892 -3.6849 50.168 GPRESSAVG: 969000 16.7474 -31.6946 -37.4265 -29.9701 -31.8736 -4.73866 -35.5996 -4.83187 49.7249 TIMING: 969000 CPU: 2910.11, 0.00303145/step Wall: 2910.11, 0.00303145/step, 3.39438 hours remaining, 209.628906 MB of memory in use. ENERGY: 969000 744.7070 2178.4550 1929.1143 114.2790 -205448.7725 17495.9762 0.0000 0.0000 34417.1877 -148569.0533 300.5739 -182986.2410 -148471.2541 300.6510 48.8761 83.6959 556070.8682 11.3768 11.5329 PRESSURE: 969200 48.0977 -106.365 137.03 -106.365 -11.6978 -92.6987 137.03 -92.6985 -111.788 GPRESSURE: 969200 102.171 -98.3092 177.201 -62.8443 13.3899 -50.9883 158.208 -84.5842 -97.0225 PRESSAVG: 969200 11.4601 -14.2151 -25.9194 -14.2152 -13.1097 -54.9441 -25.9193 -54.9441 19.3047 GPRESSAVG: 969200 10.996 -14.6718 -26.5397 -14.2194 -12.4238 -55.82 -23.5719 -54.288 18.9262 TIMING: 969200 CPU: 2910.71, 0.0030179/step Wall: 2910.71, 0.0030179/step, 3.37905 hours remaining, 209.628906 MB of memory in use. ENERGY: 969200 736.6949 2135.4309 1943.1765 110.4654 -205283.8557 17368.5717 0.0000 0.0000 34386.1144 -148603.4018 300.3025 -182989.5163 -148501.1237 301.1157 -25.1292 6.1793 556347.7661 5.8850 5.8328 PRESSURE: 969400 19.4848 -266.556 -164.616 -266.557 -38.3718 39.6243 -164.616 39.6243 -54.9925 GPRESSURE: 969400 -7.28984 -295.566 -194.808 -241.835 79.8578 52.4742 -126.668 53.6439 -49.9313 PRESSAVG: 969400 -15.3871 -31.0159 -24.3856 -31.0159 11.8449 -66.1993 -24.3856 -66.1991 3.70926 GPRESSAVG: 969400 -16.9577 -31.929 -23.5203 -30.4659 13.7801 -66.0854 -26.5467 -63.5375 3.46452 TIMING: 969400 CPU: 2911.32, 0.00301656/step Wall: 2911.32, 0.00301656/step, 3.37737 hours remaining, 209.628906 MB of memory in use. ENERGY: 969400 791.8726 2157.5276 1918.2549 117.9230 -205789.0872 17493.8711 0.0000 0.0000 34625.8346 -148683.8032 302.3960 -183309.6378 -148591.7374 300.8914 -24.6265 7.5456 555313.7436 0.0557 0.0956 PRESSURE: 969600 -90.7172 -4.63882 -192.16 -4.63955 -123.012 -46.1906 -192.16 -46.1902 -31.8874 GPRESSURE: 969600 -38.3785 17.1924 -186.513 -49.2442 -61.5133 -39.8071 -178.86 -46.8221 -56.5863 PRESSAVG: 969600 -27.745 29.287 1.34259 29.287 48.8476 37.5491 1.34267 37.5491 33.4063 GPRESSAVG: 969600 -27.0009 32.7987 -0.666825 28.0407 46.479 38.5344 2.21377 34.9963 34.9534 TIMING: 969600 CPU: 2911.91, 0.00299436/step Wall: 2911.91, 0.00299436/step, 3.35235 hours remaining, 209.628906 MB of memory in use. ENERGY: 969600 738.0011 2093.4521 1931.8225 124.8447 -205768.2131 17515.7120 0.0000 0.0000 34516.9699 -148847.4108 301.4453 -183364.3807 -148753.3651 301.1288 -81.8723 -52.1594 556978.2357 18.1697 18.1438 PRESSURE: 969800 -263.973 -32.462 43.8292 -32.4615 -81.1417 -138.309 43.8291 -138.309 95.9073 GPRESSURE: 969800 -239.436 -99.5506 58.7753 -21.0577 -14.5531 -135.636 -55.6556 -90.5275 113.836 PRESSAVG: 969800 -31.8648 18.6632 2.97924 18.6631 -63.2245 8.96129 2.97922 8.96127 99.7688 GPRESSAVG: 969800 -30.9412 18.495 4.55472 19.4979 -64.118 8.80171 2.58882 9.12801 100.021 TIMING: 969800 CPU: 2912.52, 0.0030231/step Wall: 2912.52, 0.0030231/step, 3.38436 hours remaining, 209.628906 MB of memory in use. ENERGY: 969800 791.6491 2103.7624 1960.8655 119.2001 -205782.7682 17576.8275 0.0000 0.0000 34313.5239 -148916.9398 299.6685 -183230.4637 -148813.3725 300.5480 -83.0692 -46.7175 557097.2472 1.5598 1.6538 PRESSURE: 970000 -278.107 116.943 -31.5592 116.943 -186.858 100.536 -31.5589 100.534 -75.0514 GPRESSURE: 970000 -281.909 109.87 -111.63 45.4606 -119.009 44.1018 3.88758 169.017 -35.3038 PRESSAVG: 970000 -13.4958 71.4865 -34.3514 71.4865 -5.68574 7.79025 -34.3515 7.7902 -15.2888 GPRESSAVG: 970000 -13.5264 70.9456 -32.4425 67.2973 -5.1804 8.67662 -34.967 6.74618 -15.316 TIMING: 970000 CPU: 2913.12, 0.00299964/step Wall: 2913.12, 0.00299964/step, 3.35793 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: 970000 769.4372 2154.5842 1940.7278 125.7043 -205754.2480 17537.6761 0.0000 0.0000 34346.5149 -148879.6035 299.9567 -183226.1184 -148787.4765 300.3231 -180.0056 -145.4071 556950.9048 -11.4901 -11.3409 PRESSURE: 970200 129.307 34.1082 -26.8944 34.1084 -64.1513 136.362 -26.8959 136.363 73.0145 GPRESSURE: 970200 131.485 19.5135 -4.71301 77.9325 -6.95773 215.731 -8.19416 -5.01098 115.317 PRESSAVG: 970200 0.79682 33.2675 -62.6538 33.2676 -7.92405 6.20255 -62.6537 6.20267 13.5882 GPRESSAVG: 970200 0.592554 32.4223 -67.0258 36.8653 -6.64263 4.35613 -59.4261 9.14618 12.8629 TIMING: 970200 CPU: 2913.72, 0.00300614/step Wall: 2913.72, 0.00300614/step, 3.36505 hours remaining, 209.628906 MB of memory in use. ENERGY: 970200 754.5525 2162.1564 1966.4926 106.7976 -206456.6508 17935.5657 0.0000 0.0000 34409.7289 -149121.3570 300.5087 -183531.0859 -149021.8340 301.3087 46.0568 79.9480 557368.9332 2.1536 2.2709 PRESSURE: 970400 -17.8723 215.79 -110.929 215.791 103.906 123.772 -110.929 123.771 -24.1918 GPRESSURE: 970400 39.9229 167.197 -26.7998 214.868 127.342 162.121 -208.45 105.534 -2.9485 PRESSAVG: 970400 -11.3718 9.33606 -29.7845 9.336 -10.3177 -12.8797 -29.7845 -12.8797 -20.4996 GPRESSAVG: 970400 -10.5262 7.14491 -28.5352 9.88077 -11.1474 -12.5665 -32.5613 -14.3118 -20.2735 TIMING: 970400 CPU: 2914.32, 0.00301303/step Wall: 2914.32, 0.00301303/step, 3.37258 hours remaining, 209.628906 MB of memory in use. ENERGY: 970400 764.9933 2118.4745 1930.3883 105.3104 -206564.1379 18084.3034 0.0000 0.0000 34303.2447 -149257.4233 299.5788 -183560.6680 -149147.1717 300.0041 20.6138 54.7721 557125.7288 -14.0630 -13.9824 PRESSURE: 970600 264.647 21.6383 -200.334 21.6381 142.078 219.715 -200.334 219.715 -155.276 GPRESSURE: 970600 310.659 -31.9053 -303.904 5.73243 169.715 172.971 -152.389 228.643 -116.023 PRESSAVG: 970600 -0.813271 30.6702 -34.3275 30.6702 -30.3502 -6.09342 -34.3275 -6.09337 42.5629 GPRESSAVG: 970600 -1.66543 30.3991 -35.1619 30.2966 -29.2589 -7.81552 -35.5319 -4.28285 41.9962 TIMING: 970600 CPU: 2914.93, 0.00302277/step Wall: 2914.93, 0.00302277/step, 3.38332 hours remaining, 209.628906 MB of memory in use. ENERGY: 970600 764.2125 2168.8336 1950.5705 102.3474 -206509.2688 17888.1702 0.0000 0.0000 34276.8519 -149358.2827 299.3483 -183635.1345 -149264.2739 299.3195 83.8162 121.4502 556340.3152 3.7998 3.6906 PRESSURE: 970800 242.963 -212.248 -5.62114 -212.248 202.147 -18.858 -5.62167 -18.8568 112.062 GPRESSURE: 970800 308.363 -180.17 30.4215 -196.342 233.457 -24.3257 -22.3642 6.3962 118.454 PRESSAVG: 970800 64.3703 -11.8148 -66.1514 -11.8148 23.3345 -4.89563 -66.1514 -4.89569 -33.7666 GPRESSAVG: 970800 63.7362 -9.09085 -65.3194 -10.287 24.1584 -1.52183 -64.7065 -6.98848 -33.9029 TIMING: 970800 CPU: 2915.53, 0.00303462/step Wall: 2915.53, 0.00303462/step, 3.39642 hours remaining, 209.628906 MB of memory in use. ENERGY: 970800 754.6705 2148.3197 1931.8373 107.1541 -206855.7555 18292.3470 0.0000 0.0000 34367.9556 -149253.4714 300.1439 -183621.4270 -149156.0102 299.4473 185.7238 220.0913 557325.2390 17.9794 17.9972 PRESSURE: 971000 -25.2081 -30.8139 -199.123 -30.8146 228.885 -77.7146 -199.123 -77.7156 -176.321 GPRESSURE: 971000 62.1688 1.46588 -131.38 -2.68899 274.994 -61.968 -203.262 -175.769 -211.303 PRESSAVG: 971000 30.1545 -32.8317 -36.5619 -32.8317 -25.4605 -32.551 -36.5619 -32.5511 -1.85719 GPRESSAVG: 971000 31.4506 -34.4985 -35.1199 -34.7147 -26.0713 -32.5898 -36.2691 -31.286 -2.98436 TIMING: 971000 CPU: 2916.14, 0.00302775/step Wall: 2916.14, 0.00302775/step, 3.38856 hours remaining, 209.628906 MB of memory in use. ENERGY: 971000 743.3819 2077.8855 1918.0723 112.2868 -206546.3810 17906.0474 0.0000 0.0000 34538.3625 -149250.3445 301.6321 -183788.7071 -149158.3340 299.4786 9.1188 41.9533 559366.6148 0.9456 0.7983 PRESSURE: 971200 -114.73 -216.669 -50.6136 -216.669 -114.242 33.503 -50.6127 33.5036 -37.5152 GPRESSURE: 971200 -67.5167 -200.538 -72.3805 -145.322 -100.202 14.9188 -26.3009 31.1657 -27.3534 PRESSAVG: 971200 -26.9311 -49.7692 -13.6206 -49.7692 24.952 -19.7466 -13.6206 -19.7465 9.45878 GPRESSAVG: 971200 -27.0582 -48.2004 -14.8554 -50.3543 24.1337 -21.0765 -13.6711 -19.6782 10.3688 TIMING: 971200 CPU: 2916.75, 0.00303058/step Wall: 2916.75, 0.00303058/step, 3.39156 hours remaining, 209.628906 MB of memory in use. ENERGY: 971200 723.6590 2119.2762 1956.1982 107.6992 -206321.1972 17892.8878 0.0000 0.0000 34338.0357 -149183.4412 299.8826 -183521.4769 -149085.1738 299.2261 -88.8292 -65.0239 558260.7704 2.4932 2.4814 PRESSURE: 971400 -182.423 -29.7494 13.2528 -29.7488 113.02 -16.5202 13.2525 -16.5213 -117.594 GPRESSURE: 971400 -133.843 -35.6814 -23.4903 7.17505 136.16 -30.9266 33.3504 -11.4516 -89.8726 PRESSAVG: 971400 10.9286 -111.272 27.6022 -111.272 -6.50775 -6.9301 27.6021 -6.93019 -3.74001 GPRESSAVG: 971400 11.4005 -110.658 30.8691 -111.973 -5.57311 -4.81613 26.6811 -7.26265 -4.52898 TIMING: 971400 CPU: 2917.35, 0.00303535/step Wall: 2917.35, 0.00303535/step, 3.39673 hours remaining, 209.628906 MB of memory in use. ENERGY: 971400 730.9733 2089.7899 1956.8232 119.2486 -206100.5996 17743.6384 0.0000 0.0000 34218.7668 -149241.3594 298.8410 -183460.1262 -149141.7492 299.6511 -62.3324 -29.1853 558657.2547 0.2270 0.4328 PRESSURE: 971600 66.0416 -26.5545 79.6482 -26.5548 -42.847 33.7091 79.6475 33.7096 -82.7234 GPRESSURE: 971600 93.4659 -33.1329 121.286 24.6614 -20.0588 74.9162 35.6721 124.687 -39.7851 PRESSAVG: 971600 8.87358 -19.3352 19.7319 -19.3352 -18.2338 45.9706 19.7318 45.9705 53.0444 GPRESSAVG: 971600 9.0633 -19.3952 17.6072 -20.3023 -19.5157 43.6975 20.3117 45.7823 54.0412 TIMING: 971600 CPU: 2917.96, 0.00301619/step Wall: 2917.96, 0.00301619/step, 3.37511 hours remaining, 209.628906 MB of memory in use. ENERGY: 971600 787.5465 2090.9483 1925.8271 129.5109 -206373.1773 17928.4868 0.0000 0.0000 34139.3714 -149371.4863 298.1476 -183510.8577 -149277.5630 299.1366 -19.8429 11.2073 556935.2498 14.5614 14.5296 PRESSURE: 971800 62.5268 -56.6537 -84.008 -56.653 20.4018 -3.52762 -84.0076 -3.52773 178.139 GPRESSURE: 971800 81.9631 -33.5174 -112.854 -160.482 66.1536 13.8873 -77.1926 38.2672 208.005 PRESSAVG: 971800 3.47484 -11.2222 -31.6377 -11.2222 -56.0194 15.5141 -31.6377 15.5141 49.0245 GPRESSAVG: 971800 2.00206 -13.1795 -31.7867 -8.26509 -54.3394 16.1696 -31.1994 17.3314 48.8463 TIMING: 971800 CPU: 2918.56, 0.00302477/step Wall: 2918.56, 0.00302477/step, 3.38455 hours remaining, 209.628906 MB of memory in use. ENERGY: 971800 767.0583 2130.3717 1935.3840 107.5385 -206473.5626 18029.3899 0.0000 0.0000 34259.3136 -149244.5066 299.1951 -183503.8202 -149152.0215 298.4946 87.0225 118.7074 557250.7076 -1.1733 -1.1637 PRESSURE: 972000 -58.6808 236.312 -23.5258 236.312 -193.312 -101.704 -23.5253 -101.703 -45.6118 GPRESSURE: 972000 -42.5792 267.921 -58.4542 178.195 -137.529 -121.16 54.6738 -22.3986 -25.3359 PRESSAVG: 972000 46.8146 29.3077 -2.15114 29.3077 -31.4363 43.3512 -2.15118 43.3513 -0.0104 GPRESSAVG: 972000 48.4434 31.1773 -2.08134 28.2166 -32.5179 44.8109 -2.83476 41.5529 0.179185 TIMING: 972000 CPU: 2919.17, 0.00303269/step Wall: 2919.17, 0.00303269/step, 3.39324 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: 972000 771.2287 2110.3357 1911.0657 128.1024 -206296.2041 17971.2595 0.0000 0.0000 34179.1302 -149225.0819 298.4948 -183404.2121 -149128.6853 299.1572 -99.2014 -68.4812 559601.9375 5.1227 5.3682 PRESSURE: 972200 5.50165 43.1542 -72.0397 43.1538 193.296 -98.7757 -72.0399 -98.7767 -176.085 GPRESSURE: 972200 27.3702 34.8791 -139.981 90.6823 224.14 -174.578 -80.9886 -58.2274 -142.883 PRESSAVG: 972200 -17.958 -63.3901 -17.9795 -63.3902 -37.8519 24.8124 -17.9795 24.8124 45.7726 GPRESSAVG: 972200 -19.7019 -65.6902 -18.6075 -62.9607 -37.5554 23.2921 -17.1602 24.5562 46.6846 TIMING: 972200 CPU: 2919.77, 0.00302513/step Wall: 2919.77, 0.00302513/step, 3.38462 hours remaining, 209.628906 MB of memory in use. ENERGY: 972200 742.4467 2044.8304 1943.5116 117.1474 -206316.4089 18064.5003 0.0000 0.0000 34069.7835 -149334.1890 297.5399 -183403.9725 -149234.8683 298.9787 7.5708 36.2089 558691.6035 -3.3458 -3.5242 LDB: ============= START OF LOAD BALANCING ============== 2923.3 LDB: ============== END OF LOAD BALANCING =============== 2923.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2923.3 LDB: ============= START OF LOAD BALANCING ============== 2923.6 LDB: Largest compute 4794 load 0.025955 is 22.0% of average load 0.117865 LDB: Average compute 0.001738 is 1.5% of average load 0.117865 LDB: TIME 2923.6 LOAD: AVG 0.117865 MAX 0.211213 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.902 MB LDB: TIME 2923.61 LOAD: AVG 0.117865 MAX 0.211213 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.035 MB LDB: TIME 2923.61 LOAD: AVG 0.117865 MAX 0.211213 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.035 MB LDB: ============== END OF LOAD BALANCING =============== 2923.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2923.61 PRESSURE: 972400 -245.278 128.518 -3.45986 128.518 -56.6411 64.6021 -3.46093 64.6003 -192.725 GPRESSURE: 972400 -221.858 159.44 22.1754 79.9002 -75.6521 37.5813 -55.1934 106.658 -86.3813 PRESSAVG: 972400 -13.8797 42.6423 -35.4347 42.6423 38.6661 5.38396 -35.4347 5.3839 -31.259 GPRESSAVG: 972400 -13.5079 43.9036 -37.2552 43.4451 37.8892 4.52485 -35.6296 5.743 -30.4953 TIMING: 972400 CPU: 2920.39, 0.00310642/step Wall: 2920.39, 0.00310642/step, 3.47539 hours remaining, 207.140625 MB of memory in use. ENERGY: 972400 735.3246 2033.3769 1937.2479 119.8641 -205813.7349 17546.0380 0.0000 0.0000 34136.7094 -149305.1740 298.1244 -183441.8834 -149214.4963 299.4139 -164.8812 -127.9638 559038.6321 -2.1575 -2.0380 PRESSURE: 972600 -163.956 34.5802 50.0061 34.5811 78.1244 -50.8415 50.0063 -50.8427 -55.8918 GPRESSURE: 972600 -98.8368 170.52 -38.4879 51.1625 90.204 -134.212 101.878 -35.7762 -31.3748 PRESSAVG: 972600 -26.6293 7.26049 38.2977 7.26041 0.624903 49.4184 38.2978 49.4185 21.3703 GPRESSAVG: 972600 -26.4998 7.23474 40.5031 5.46692 2.96082 51.763 38.2062 50.0226 19.4005 TIMING: 972600 CPU: 2921, 0.0030352/step Wall: 2921, 0.0030352/step, 3.39555 hours remaining, 207.343750 MB of memory in use. ENERGY: 972600 734.7756 2089.5510 1921.1568 120.0676 -206078.1842 17678.6580 0.0000 0.0000 34397.6289 -149136.3465 300.4030 -183533.9753 -149043.0111 299.7465 -47.2412 -13.3359 557897.9373 -1.5447 -1.3795 PRESSURE: 972800 -88.3386 -10.9034 -16.7239 -10.9039 241.156 -55.5356 -16.724 -55.5347 187.578 GPRESSURE: 972800 -9.13729 -34.5882 -11.3654 -31.3395 239.705 -112.552 -26.9463 -10.6477 195.852 PRESSAVG: 972800 -10.1014 38.0394 70.4588 38.0395 9.57948 12.1681 70.4588 12.1682 -12.1969 GPRESSAVG: 972800 -8.7221 38.2446 70.2184 39.1202 7.83547 11.4967 70.9301 11.7058 -11.7658 TIMING: 972800 CPU: 2921.61, 0.00304248/step Wall: 2921.61, 0.00304248/step, 3.40353 hours remaining, 207.343750 MB of memory in use. ENERGY: 972800 751.3039 2130.6146 1892.7399 110.0016 -206125.8079 17935.3530 0.0000 0.0000 34179.4549 -149126.3401 298.4977 -183305.7950 -149033.3389 300.1573 113.4651 142.1399 556653.7733 -4.2396 -4.2175 PRESSURE: 973000 -4.63616 118.45 -161.99 118.449 -156.861 75.5879 -161.99 75.5881 -57.0178 GPRESSURE: 973000 97.2676 137.162 -127.643 179.268 -111.321 117.531 -85.2152 37.9984 -85.8768 PRESSAVG: 973000 -3.64024 -8.55226 28.0624 -8.55223 17.107 15.4642 28.0626 15.4643 -14.3717 GPRESSAVG: 973000 -4.41677 -9.10126 28.404 -9.10029 17.8133 16.8437 26.0264 13.7514 -14.9053 TIMING: 973000 CPU: 2922.21, 0.00300174/step Wall: 2922.21, 0.00300174/step, 3.35778 hours remaining, 207.343750 MB of memory in use. ENERGY: 973000 721.6353 2045.8582 1922.2824 108.7733 -205682.9591 17556.4534 0.0000 0.0000 34462.8956 -148865.0610 300.9730 -183327.9566 -148766.9281 300.1739 -72.8384 -33.3101 556981.8958 -0.3016 -0.5029 PRESSURE: 973200 17.6702 158.156 -3.95426 158.155 -89.4331 -41.5078 -3.95533 -41.5081 -408.652 GPRESSURE: 973200 17.5104 146.234 -44.8603 65.3777 -54.3602 35.6468 37.9184 -50.0965 -342.196 PRESSAVG: 973200 -3.95144 64.9432 -24.0436 64.9432 35.0139 -14.6801 -24.0436 -14.6801 -52.0839 GPRESSAVG: 973200 -4.56236 65.2886 -26.8617 65.9415 34.2364 -13.5281 -22.8811 -13.8894 -50.7776 TIMING: 973200 CPU: 2922.81, 0.00301502/step Wall: 2922.81, 0.00301502/step, 3.37247 hours remaining, 207.343750 MB of memory in use. ENERGY: 973200 739.8499 2105.0481 1924.3986 115.6465 -205655.4110 17364.1430 0.0000 0.0000 34455.9809 -148950.3440 300.9127 -183406.3249 -148847.0215 299.9901 -160.1381 -126.3487 555993.7595 -7.0071 -7.0345 PRESSURE: 973400 27.4194 -89.3603 118.217 -89.3605 245.995 59.8022 118.216 59.8021 -48.8461 GPRESSURE: 973400 83.7348 -51.3156 83.6741 -158.923 264.26 51.0682 82.4367 158.82 -39.3671 PRESSAVG: 973400 -31.9022 35.2732 44.7791 35.2732 92.6526 65.7232 44.7792 65.7232 -43.4115 GPRESSAVG: 973400 -30.9281 35.3717 46.9324 34.0987 92.8254 65.7529 45.905 66.6967 -44.1199 TIMING: 973400 CPU: 2923.42, 0.0030352/step Wall: 2923.42, 0.0030352/step, 3.39487 hours remaining, 207.343750 MB of memory in use. ENERGY: 973400 699.0138 2090.5570 1903.4467 108.1124 -206135.4154 17673.2987 0.0000 0.0000 34505.8560 -149155.1306 301.3482 -183660.9867 -149060.7868 299.4472 74.8562 102.8759 555009.1912 5.7796 5.9258 PRESSURE: 973600 -17.8848 -31.6441 30.0697 -31.646 46.9444 36.2674 30.0697 36.2675 -66.2269 GPRESSURE: 973600 21.7769 -50.5378 80.4584 -72.8612 108.884 -11.9321 43.4294 37.1764 -56.5426 PRESSAVG: 973600 -29.8037 44.9318 21.2261 44.9319 -2.77309 9.16173 21.2261 9.16183 41.1854 GPRESSAVG: 973600 -31.1857 46.9189 23.5874 45.2147 -2.17014 5.92603 17.9316 6.37915 42.6446 TIMING: 973600 CPU: 2924.02, 0.00300833/step Wall: 2924.02, 0.00300833/step, 3.36465 hours remaining, 207.343750 MB of memory in use. ENERGY: 973600 749.9024 2014.7942 1909.9668 103.4577 -205710.0342 17702.8549 0.0000 0.0000 34082.8202 -149146.2382 297.6537 -183229.0583 -149054.8519 299.2556 -12.3891 24.7061 555862.9628 2.8695 3.0962 PRESSURE: 973800 -116.396 88.5482 128.964 88.5498 -0.762938 31.1068 128.965 31.1065 280.883 GPRESSURE: 973800 -34.3852 87.1693 58.0907 86.7618 27.1017 85.8352 250.922 -20.6412 268.357 PRESSAVG: 973800 -7.24086 22.502 51.5692 22.502 -10.3063 7.66477 51.5692 7.66471 40.7898 GPRESSAVG: 973800 -6.61167 19.9541 46.6465 23.0043 -11.1319 8.98608 55.2838 10.0589 40.6576 TIMING: 973800 CPU: 2924.63, 0.00303143/step Wall: 2924.63, 0.00303143/step, 3.39031 hours remaining, 207.343750 MB of memory in use. ENERGY: 973800 693.5396 2103.7223 1913.9253 107.1969 -206126.3290 17813.2305 0.0000 0.0000 34226.2733 -149268.4412 298.9066 -183494.7145 -149175.3439 299.2162 54.5748 87.0245 557072.6440 7.7476 7.6380 PRESSURE: 974000 -101.125 57.359 79.329 57.358 61.0415 59.6984 79.3285 59.6987 280.013 GPRESSURE: 974000 -99.1826 49.512 54.2324 43.1717 143.691 130.682 95.3833 75.3998 292.371 PRESSAVG: 974000 -46.3889 -17.2431 23.4318 -17.2431 21.9611 12.5012 23.4317 12.5012 7.93428 GPRESSAVG: 974000 -44.9974 -17.6102 24.3737 -18.2005 21.4054 11.9069 23.6277 13.5808 7.33838 TIMING: 974000 CPU: 2925.23, 0.00299315/step Wall: 2925.23, 0.00299315/step, 3.34734 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: 974000 741.8981 2054.7761 1928.9625 114.2100 -206497.9166 18185.6848 0.0000 0.0000 34215.2925 -149257.0926 298.8107 -183472.3852 -149161.8275 298.6437 79.9763 112.2930 558160.5187 -5.4979 -5.4179 PRESSURE: 974200 -26.5952 -136.233 -30.1631 -136.233 72.6261 -17.2488 -30.1616 -17.2495 -48.065 GPRESSURE: 974200 -9.38586 -130.452 -112.827 -150.881 102.37 -13.1921 -41.3807 15.0402 7.41325 PRESSAVG: 974200 -17.1354 24.8815 37.9939 24.8816 -7.7159 -26.9788 37.9939 -26.9789 34.6392 GPRESSAVG: 974200 -19.1028 25.5386 40.3573 25.0599 -5.78233 -25.8875 36.0565 -28.7487 34.405 TIMING: 974200 CPU: 2925.82, 0.00298055/step Wall: 2925.82, 0.00298055/step, 3.33308 hours remaining, 207.343750 MB of memory in use. ENERGY: 974200 799.7742 2105.4914 1926.0368 112.4511 -206125.8857 17698.2736 0.0000 0.0000 34377.8820 -149105.9766 300.2306 -183483.8586 -149012.3660 299.1022 -0.6780 33.4659 556016.4878 3.2626 3.1733 PRESSURE: 974400 76.781 125.243 -55.8556 125.242 -215.628 40.6859 -55.856 40.6843 -144.027 GPRESSURE: 974400 70.5445 151.844 -22.7174 104.976 -148.214 56.7473 -47.2682 10.8321 -101.129 PRESSAVG: 974400 10.4582 26.3765 -33.9804 26.3765 -20.7055 -55.7832 -33.9804 -55.7831 27.4368 GPRESSAVG: 974400 10.6371 27.5436 -36.6291 25.7931 -21.9325 -58.199 -32.8661 -52.8169 28.3695 TIMING: 974400 CPU: 2926.42, 0.0030032/step Wall: 2926.42, 0.0030032/step, 3.35825 hours remaining, 207.343750 MB of memory in use. ENERGY: 974400 762.9275 2041.8149 1941.0347 114.5482 -205881.7000 17659.0608 0.0000 0.0000 34093.8899 -149268.4239 297.7504 -183362.3139 -149178.3527 299.6699 -94.2911 -59.5996 557386.8465 5.7298 5.6914 PRESSURE: 974600 -24.8743 -53.4207 16.8963 -53.4218 -151.606 -121.213 16.8971 -121.214 -168.485 GPRESSURE: 974600 25.5088 -64.4473 49.223 -82.6801 -140.747 -146.361 -16.9965 -85.4513 -125.129 PRESSAVG: 974600 6.53132 -2.29309 -13.9554 -2.29321 -55.7009 -46.0515 -13.9552 -46.0516 70.7327 GPRESSAVG: 974600 7.94267 -4.63904 -14.4316 -1.77341 -55.1375 -46.1776 -13.6317 -47.8887 68.8258 TIMING: 974600 CPU: 2927.02, 0.00297852/step Wall: 2927.02, 0.00297852/step, 3.33048 hours remaining, 207.343750 MB of memory in use. ENERGY: 974600 746.9678 2037.7693 1922.4660 107.3530 -205825.2884 17716.8248 0.0000 0.0000 33970.0803 -149323.8272 296.6692 -183293.9074 -149228.4655 299.0062 -114.9884 -80.1225 559251.9753 7.1877 7.2103 PRESSURE: 974800 9.56713 21.5263 -135.059 21.527 -319.37 -48.0689 -135.058 -48.0675 -90.3838 GPRESSURE: 974800 49.1146 33.3311 -46.1191 64.3467 -219.273 -36.3359 -159.699 -142.584 -119.12 PRESSAVG: 974800 43.4979 -35.9483 -19.9938 -35.9483 -35.9356 3.73567 -19.9938 3.73566 -0.175257 GPRESSAVG: 974800 43.1663 -33.896 -17.322 -36.7972 -36.1116 4.55776 -22.5562 1.71463 0.281797 TIMING: 974800 CPU: 2927.61, 0.00297189/step Wall: 2927.61, 0.00297189/step, 3.3229 hours remaining, 207.343750 MB of memory in use. ENERGY: 974800 744.7801 2054.5619 1920.7949 117.7696 -206202.0486 17722.3406 0.0000 0.0000 34304.9344 -149336.8669 299.5935 -183641.8014 -149243.4975 299.2731 -133.3957 -96.4262 559152.2308 2.4623 2.4455 PRESSURE: 975000 -142.708 -11.382 76.753 -11.3821 -227.945 -134.304 76.7541 -134.305 -186.715 GPRESSURE: 975000 -61.0086 -69.4158 87.8982 -30.1263 -225.526 -139.466 7.68209 -102.899 -183.353 PRESSAVG: 975000 45.9168 8.66216 8.77915 8.66212 -21.8472 61.8134 8.77917 61.8135 -15.5717 GPRESSAVG: 975000 45.7503 6.33874 7.79804 8.09507 -22.0174 61.6936 9.42505 64.8178 -14.6092 TIMING: 975000 CPU: 2928.21, 0.0029743/step Wall: 2928.21, 0.0029743/step, 3.32543 hours remaining, 207.343750 MB of memory in use. ENERGY: 975000 755.1892 2088.4494 1944.6116 128.4427 -205852.3053 17619.2039 0.0000 0.0000 34178.0746 -149138.3339 298.4856 -183316.4085 -149037.1733 300.1467 -185.7894 -156.6290 558244.7311 2.8326 3.0412 PRESSURE: 975200 327.61 50.0752 -256.09 50.0747 3.4891 -172.379 -256.09 -172.379 -7.56107 GPRESSURE: 975200 353.099 21.6328 -246.284 46.2794 42.1016 -169.679 -188.994 -150.74 36.6801 PRESSAVG: 975200 69.9421 12.4606 -11.4781 12.4605 28.3213 7.47031 -11.4781 7.47051 -108.548 GPRESSAVG: 975200 69.9011 12.9656 -10.8782 13.7252 29.4993 7.00084 -11.1823 5.32437 -109.501 TIMING: 975200 CPU: 2928.81, 0.00298698/step Wall: 2928.81, 0.00298698/step, 3.33944 hours remaining, 207.343750 MB of memory in use. ENERGY: 975200 734.7200 2036.2492 1902.0516 105.1926 -206355.8767 17998.7676 0.0000 0.0000 34347.1205 -149231.7753 299.9619 -183578.8959 -149132.3155 299.2266 107.8461 143.9604 557991.4551 -3.4283 -3.3669 PRESSURE: 975400 54.618 -29.6789 57.1483 -29.6797 -65.8372 102.929 57.1483 102.928 -86.7121 GPRESSURE: 975400 105.515 -33.7886 13.3229 -17.906 -52.0524 129.578 105.769 59.2819 -57.4503 PRESSAVG: 975400 104.943 49.5416 -46.0751 49.5415 -29.1157 -41.1284 -46.075 -41.1283 -88.0452 GPRESSAVG: 975400 103.618 48.7023 -46.0258 51.0233 -29.1836 -39.5238 -46.676 -41.598 -86.1447 TIMING: 975400 CPU: 2929.41, 0.0030024/step Wall: 2929.41, 0.0030024/step, 3.35651 hours remaining, 207.343750 MB of memory in use. ENERGY: 975400 756.0584 2079.3029 1908.6728 114.5816 -206286.4921 17952.2370 0.0000 0.0000 34418.5907 -149057.0487 300.5861 -183475.6394 -148961.1260 299.2202 -32.6438 -1.3294 558716.5549 -4.0727 -3.9035 PRESSURE: 975600 -89.6085 95.3886 -66.4926 95.3872 -41.4902 -91.9652 -66.4924 -91.9666 -97.9589 GPRESSURE: 975600 -45.4209 1.09471 -5.91713 144.235 16.8759 -119.229 -217.413 -89.1909 -111.995 PRESSAVG: 975600 -49.7258 5.862 16.054 5.86201 25.5711 42.3909 16.0539 42.3909 30.3979 GPRESSAVG: 975600 -48.5984 7.43121 16.1401 3.63142 25.3664 42.3349 16.3808 43.3975 29.0115 TIMING: 975600 CPU: 2930.01, 0.00303064/step Wall: 2930.01, 0.00303064/step, 3.38792 hours remaining, 207.343750 MB of memory in use. ENERGY: 975600 748.2761 2087.1553 1932.6610 108.3827 -206004.3486 17608.8631 0.0000 0.0000 34284.5639 -149234.4466 299.4156 -183519.0105 -149130.0659 299.3646 -76.3525 -46.8467 557394.1483 2.0811 1.9265 PRESSURE: 975800 -59.4507 -39.2058 80.1528 -39.2072 -366.082 139.017 80.1529 139.018 -72.9611 GPRESSURE: 975800 -25.7659 66.0656 41.6175 -27.7205 -293.676 182.205 88.8732 112.281 -74.1237 PRESSAVG: 975800 40.4676 38.4459 -20.1954 38.446 -67.8186 39.8277 -20.1954 39.8277 40.7651 GPRESSAVG: 975800 41.001 36.8861 -20.8481 38.6872 -67.7512 38.8862 -19.0907 39.2778 40.1287 TIMING: 975800 CPU: 2930.62, 0.00302186/step Wall: 2930.62, 0.00302186/step, 3.37793 hours remaining, 207.343750 MB of memory in use. ENERGY: 975800 779.7805 2087.3274 1939.1373 118.2373 -206088.8359 17760.7820 0.0000 0.0000 34255.5288 -149148.0426 299.1621 -183403.5714 -149055.8135 299.3748 -166.1647 -131.1886 558534.9339 4.4714 4.4595 PRESSURE: 976000 7.02849 -10.8896 5.97328 -10.8886 164.01 -104.825 5.97392 -104.825 92.2239 GPRESSURE: 976000 75.1317 -35.5747 36.6945 -36.2479 84.4335 -129.316 48.4762 -7.39022 191.528 PRESSAVG: 976000 20.4857 19.387 -7.66921 19.387 -3.52345 -19.666 -7.66916 -19.6661 -22.3377 GPRESSAVG: 976000 19.9199 20.7975 -9.68953 18.2542 -4.29518 -19.0168 -7.26268 -18.2911 -21.4717 TIMING: 976000 CPU: 2931.22, 0.00300787/step Wall: 2931.22, 0.00300787/step, 3.36213 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: 976000 729.0224 2063.1144 1915.0646 117.2912 -206456.0194 18069.7486 0.0000 0.0000 34358.6268 -149203.1514 300.0624 -183561.7782 -149110.4777 299.8841 87.7541 117.0312 557318.2226 -1.7918 -1.9490 PRESSURE: 976200 -71.1291 -27.7877 -10.8405 -27.787 50.2334 -178.7 -10.8404 -178.7 -335.51 GPRESSURE: 976200 -77.7966 -32.4086 -2.7694 11.9779 106.724 -127.651 -18.0082 -143.51 -298.412 PRESSAVG: 976200 -11.0766 -4.19275 37.3121 -4.1927 44.6922 -34.2423 37.312 -34.2423 -21.7053 GPRESSAVG: 976200 -11.9481 -4.64234 39.1357 -2.9365 45.6791 -34.4894 33.9256 -36.2852 -22.2087 TIMING: 976200 CPU: 2931.82, 0.00300931/step Wall: 2931.82, 0.00300931/step, 3.36357 hours remaining, 207.343750 MB of memory in use. ENERGY: 976200 766.6743 2114.6559 1944.7081 108.5433 -206155.3215 17726.5913 0.0000 0.0000 34273.3691 -149220.7797 299.3179 -183494.1488 -149126.0499 298.6962 -118.8020 -89.8281 557390.4979 3.9701 3.8408 LDB: ============= START OF LOAD BALANCING ============== 2935.34 LDB: ============== END OF LOAD BALANCING =============== 2935.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2935.34 LDB: ============= START OF LOAD BALANCING ============== 2935.64 LDB: Largest compute 4766 load 0.026274 is 22.3% of average load 0.117804 LDB: Average compute 0.001743 is 1.5% of average load 0.117804 LDB: TIME 2935.64 LOAD: AVG 0.117804 MAX 0.209117 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.332 MB LDB: TIME 2935.64 LOAD: AVG 0.117804 MAX 0.209117 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.332 MB LDB: TIME 2935.64 LOAD: AVG 0.117804 MAX 0.209117 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.332 MB LDB: ============== END OF LOAD BALANCING =============== 2935.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2935.65 PRESSURE: 976400 -179.231 186.115 267.077 186.115 -79.1615 -33.9716 267.077 -33.9711 -43.1157 GPRESSURE: 976400 -89.412 170.717 296.404 176.247 -42.6602 0.733033 326.015 -5.11153 -73.2032 PRESSAVG: 976400 12.1193 96.0301 15.2379 96.03 65.0396 19.6798 15.2379 19.6798 8.99162 GPRESSAVG: 976400 12.5094 95.682 15.0737 95.5474 65.5362 18.306 18.6919 22.0202 8.00625 TIMING: 976400 CPU: 2932.43, 0.00306073/step Wall: 2932.43, 0.00306073/step, 3.42087 hours remaining, 208.421875 MB of memory in use. ENERGY: 976400 716.7299 2078.0934 1932.1240 119.3817 -206140.3892 17755.0872 0.0000 0.0000 34114.1040 -149424.8690 297.9270 -183538.9730 -149336.6687 298.4660 -100.5027 -68.4251 559224.3118 28.7168 28.6840 PRESSURE: 976600 -198.989 60.6828 8.15611 60.6821 -205.957 0.0875535 8.15705 0.0861454 -104.902 GPRESSURE: 976600 -142.961 29.7536 47.2762 96.1628 -184.229 48.6555 -1.76002 -15.599 -95.1876 PRESSAVG: 976600 46.3279 6.4654 -8.62825 6.46536 -2.1508 3.72551 -8.62837 3.72567 -35.3557 GPRESSAVG: 976600 46.0504 3.57213 -9.00953 9.01424 -2.60312 5.78507 -8.65545 1.48758 -34.4642 TIMING: 976600 CPU: 2933.03, 0.0030067/step Wall: 2933.03, 0.0030067/step, 3.36032 hours remaining, 208.625000 MB of memory in use. ENERGY: 976600 786.3804 2058.1118 1901.0753 118.5012 -205778.8510 17540.8193 0.0000 0.0000 34189.8676 -149184.0955 298.5886 -183373.9631 -149090.5784 298.6055 -169.9492 -140.7924 559309.2874 2.9405 2.9944 PRESSURE: 976800 -127.09 153.959 -31.0428 153.959 -115.42 -67.2318 -31.0422 -67.2335 21.9513 GPRESSURE: 976800 -64.8327 93.8249 -57.1308 155.186 -83.3661 41.7801 1.76954 -113.206 36.3283 PRESSAVG: 976800 -15.7149 26.0122 -32.2822 26.0123 40.2547 -15.2971 -32.2821 -15.297 -60.3015 GPRESSAVG: 976800 -16.3141 29.617 -30.9953 23.7264 40.0597 -15.6849 -34.2937 -15.8908 -59.7581 TIMING: 976800 CPU: 2933.63, 0.0030028/step Wall: 2933.63, 0.0030028/step, 3.3558 hours remaining, 208.625000 MB of memory in use. ENERGY: 976800 731.3736 1999.3745 1935.7136 122.4318 -206149.4384 17755.6298 0.0000 0.0000 34436.4835 -149168.4316 300.7424 -183604.9151 -149066.6389 299.0324 -73.5197 -37.2902 558843.7168 -11.9205 -12.0042 PRESSURE: 977000 33.4476 185.754 185.494 185.754 148.689 6.96923 185.494 6.96901 11.2395 GPRESSURE: 977000 31.7448 224.649 98.2565 189.897 175.045 21.4771 234.814 41.0345 93.8658 PRESSAVG: 977000 44.9286 27.2736 6.65099 27.2736 23.0024 -28.7951 6.65102 -28.7951 -50.9038 GPRESSAVG: 977000 45.2593 26.0404 7.03407 27.4649 22.7187 -29.3226 6.86746 -29.2136 -50.933 TIMING: 977000 CPU: 2934.24, 0.00301854/step Wall: 2934.24, 0.00301854/step, 3.37322 hours remaining, 208.625000 MB of memory in use. ENERGY: 977000 710.3597 2018.6151 1951.6933 107.6872 -206239.2892 17809.2594 0.0000 0.0000 34537.0457 -149104.6287 301.6206 -183641.6744 -149005.8785 300.0529 64.4586 100.2186 557242.9270 5.6757 5.6817 PRESSURE: 977200 31.0241 -17.0183 -19.47 -17.0196 -52.6169 -133.268 -19.4699 -133.268 -160.169 GPRESSURE: 977200 13.453 25.743 -104.747 -25.6311 -2.78989 -175.339 -41.6596 -80.8432 -98.187 PRESSAVG: 977200 14.1332 117.271 -24.5434 117.271 30.2369 1.7823 -24.5434 1.78221 -33.8125 GPRESSAVG: 977200 14.6403 117.207 -25.9689 118.193 30.6555 3.5271 -25.1763 1.21881 -34.6202 TIMING: 977200 CPU: 2934.84, 0.00302511/step Wall: 2934.84, 0.00302511/step, 3.3804 hours remaining, 208.625000 MB of memory in use. ENERGY: 977200 742.2655 2017.9984 1950.2638 117.8328 -206128.9854 17666.0795 0.0000 0.0000 34390.5974 -149243.9480 300.3416 -183634.5454 -149150.5594 299.4362 -60.5872 -29.1746 557648.9242 3.5192 3.5585 PRESSURE: 977400 16.2093 -89.7247 -80.032 -89.7248 -171.899 27.8215 -80.031 27.8223 -230.607 GPRESSURE: 977400 10.4324 -87.9711 -33.2447 -42.8042 -112.604 30.1283 -95.86 29.404 -204.506 PRESSAVG: 977400 17.5691 18.8508 -26.4492 18.8507 -20.9107 -19.0489 -26.4492 -19.0488 8.9138 GPRESSAVG: 977400 16.8318 20.7357 -25.7818 16.4738 -20.8773 -21.5879 -25.4246 -17.8089 9.30088 TIMING: 977400 CPU: 2935.45, 0.00302244/step Wall: 2935.45, 0.00302244/step, 3.37724 hours remaining, 208.625000 MB of memory in use. ENERGY: 977400 746.2620 2144.4557 1924.0828 107.9225 -206312.2732 17894.1115 0.0000 0.0000 34316.8005 -149178.6382 299.6972 -183495.4388 -149087.0735 300.0032 -128.7654 -102.2260 558270.0565 1.8574 1.7518 PRESSURE: 977600 300.387 -12.1213 233.298 -12.1208 305.959 -58.4326 233.297 -58.431 344.984 GPRESSURE: 977600 358.203 -13.0227 231.135 -45.8664 372.759 -60.9583 228.1 -35.7702 318.965 PRESSAVG: 977600 1.2296 -46.6379 9.82562 -46.6379 25.4925 -23.2284 9.82563 -23.2282 -41.6868 GPRESSAVG: 977600 1.71256 -46.3925 10.7801 -45.9675 25.5876 -23.3524 9.79269 -20.5552 -41.7705 TIMING: 977600 CPU: 2936.05, 0.00302576/step Wall: 2936.05, 0.00302576/step, 3.38078 hours remaining, 208.625000 MB of memory in use. ENERGY: 977600 732.7798 2055.5562 1939.6267 112.3291 -206980.0310 18487.5297 0.0000 0.0000 34413.1359 -149239.0735 300.5385 -183652.2095 -149141.1861 299.0595 317.1102 349.9757 557170.9831 -4.9882 -4.8234 PRESSURE: 977800 -222.929 156.643 59.8505 156.644 -18.1967 -61.0365 59.852 -61.0361 -377.261 GPRESSURE: 977800 -286.178 161.4 94.0872 124.614 40.0255 -7.26951 47.7654 -95.4294 -285.681 PRESSAVG: 977800 2.03205 18.0281 58.2249 18.0281 11.1862 -13.0826 58.225 -13.0827 -37.2512 GPRESSAVG: 977800 0.872062 15.5538 58.8752 19.8012 11.3049 -11.1323 59.4425 -15.552 -35.7703 TIMING: 977800 CPU: 2936.66, 0.003037/step Wall: 2936.66, 0.003037/step, 3.39317 hours remaining, 208.625000 MB of memory in use. ENERGY: 977800 747.5519 2120.0235 1903.5668 120.7864 -205780.4008 17423.3356 0.0000 0.0000 34414.8165 -149050.3201 300.5532 -183465.1366 -148949.1969 299.7048 -206.1289 -177.2780 559328.9692 -8.0110 -7.8645 PRESSURE: 978000 38.2871 133.125 -58.5945 133.125 -88.3865 -96.6861 -58.5931 -96.6864 -51.0924 GPRESSURE: 978000 21.3041 118.063 -60.4417 171.547 -89.0038 -171.201 -51.1047 -72.4689 57.0502 PRESSAVG: 978000 1.08708 -12.1158 8.33639 -12.1159 28.3829 -12.4041 8.33644 -12.4042 25.4972 GPRESSAVG: 978000 2.19492 -11.0945 6.23297 -13.4431 29.2659 -13.459 6.84561 -11.7757 23.7987 TIMING: 978000 CPU: 2937.27, 0.00303812/step Wall: 2937.27, 0.00303812/step, 3.39426 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: 978000 730.9362 2116.7910 1925.1757 103.0275 -205835.8055 17849.9481 0.0000 0.0000 34188.4956 -148921.4312 298.5766 -183109.9268 -148830.1401 299.9603 -33.7306 -3.5498 558896.9490 18.3224 18.4198 PRESSURE: 978200 84.7163 -144.469 -56.0887 -144.47 -236.519 30.8165 -56.0897 30.8169 141.602 GPRESSURE: 978200 148.413 -153.882 -12.9307 -70.3843 -245.728 119.89 -53.8041 -66.5948 183.855 PRESSAVG: 978200 -64.4629 -29.0821 -26.2087 -29.0821 54.8975 21.761 -26.2086 21.761 -17.1219 GPRESSAVG: 978200 -62.9324 -28.7678 -24.7696 -28.5686 52.7404 23.7262 -25.1914 21.0781 -16.6677 TIMING: 978200 CPU: 2937.87, 0.00302532/step Wall: 2937.87, 0.00302532/step, 3.37979 hours remaining, 208.625000 MB of memory in use. ENERGY: 978200 726.0753 2095.2984 1934.7824 108.1065 -205889.4762 17752.1019 0.0000 0.0000 34364.8225 -148908.2892 300.1165 -183273.1117 -148807.9067 300.2189 -3.4004 28.8465 557422.9629 -8.8958 -8.9532 PRESSURE: 978400 108.462 42.9718 46.3446 42.972 -46.6217 -94.0462 46.3425 -94.046 -181.711 GPRESSURE: 978400 214.599 2.30403 88.9196 79.0727 -107.911 -39.6807 -46.1307 -56.317 -125.444 PRESSAVG: 978400 24.7542 -27.4802 21.5702 -27.4802 48.4071 -23.8931 21.5702 -23.8931 -27.5216 GPRESSAVG: 978400 24.5821 -27.906 21.5592 -28.1875 48.7955 -25.1438 20.4143 -21.9673 -28.3288 TIMING: 978400 CPU: 2938.48, 0.00304292/step Wall: 2938.48, 0.00304292/step, 3.39928 hours remaining, 208.625000 MB of memory in use. ENERGY: 978400 718.8771 2129.0862 1916.2565 120.1411 -205734.6339 17453.9162 0.0000 0.0000 34475.4086 -148920.9482 301.0823 -183396.3569 -148822.0933 300.6185 -39.9567 -6.2520 557397.3274 15.2133 15.0163 PRESSURE: 978600 -274.736 -95.3655 30.3135 -95.3655 -105.101 25.9557 30.3138 25.9571 -89.7824 GPRESSURE: 978600 -228.314 22.6569 -39.8663 -266.117 -95.698 131.95 60.9632 97.7647 -49.5106 PRESSAVG: 978600 -21.175 -36.391 18.7158 -36.391 32.6114 23.3075 18.7159 23.3075 -32.9183 GPRESSAVG: 978600 -21.2441 -35.2298 19.4384 -36.9369 33.0176 23.0621 18.6607 22.7754 -33.5135 TIMING: 978600 CPU: 2939.09, 0.00306062/step Wall: 2939.09, 0.00306062/step, 3.41888 hours remaining, 208.625000 MB of memory in use. ENERGY: 978600 754.6000 2078.0828 1948.4681 117.9928 -205940.3779 17560.4214 0.0000 0.0000 34397.6058 -149083.2070 300.4028 -183480.8128 -148984.9889 299.7744 -156.5399 -124.5075 557631.7940 -7.1606 -7.2467 PRESSURE: 978800 -55.4482 6.73193 100.97 6.73159 196.529 102.457 100.971 102.457 -201.604 GPRESSURE: 978800 -35.6507 -144.626 167.227 36.7064 170.613 54.4083 78.5996 120.82 -91.4512 PRESSAVG: 978800 3.31323 -26.8125 59.2845 -26.8125 2.15363 11.4967 59.2846 11.4966 -32.9984 GPRESSAVG: 978800 2.19373 -29.0021 57.1635 -25.1364 1.95824 11.6771 59.827 8.31954 -31.931 TIMING: 978800 CPU: 2939.7, 0.00302283/step Wall: 2939.7, 0.00302283/step, 3.3765 hours remaining, 208.625000 MB of memory in use. ENERGY: 978800 696.5712 2106.8219 1947.4593 104.5836 -206043.5449 17774.0525 0.0000 0.0000 34170.3997 -149243.6568 298.4186 -183414.0565 -149149.7106 299.5617 -20.1745 14.5037 557564.0231 -9.1772 -9.2597 PRESSURE: 979000 -85.4664 10.5268 -70.5207 10.5253 148.884 14.1838 -70.5205 14.1849 -19.9487 GPRESSURE: 979000 -43.6523 -60.9681 -94.1949 38.1898 185.998 -39.2668 -22.5227 20.3915 6.09913 PRESSAVG: 979000 -46.4094 31.2436 -32.158 31.2435 61.7888 38.5302 -32.1579 38.5301 3.59151 GPRESSAVG: 979000 -46.8914 31.7606 -30.5969 31.9221 60.8725 38.4727 -32.7896 39.2174 4.8171 TIMING: 979000 CPU: 2940.3, 0.00300979/step Wall: 2940.3, 0.00300979/step, 3.36177 hours remaining, 208.625000 MB of memory in use. ENERGY: 979000 739.0368 2122.9175 1910.1233 108.2319 -206205.4943 17966.5419 0.0000 0.0000 34200.4639 -149158.1790 298.6812 -183358.6429 -149061.9213 299.6662 14.4898 49.4817 557364.2359 6.3236 6.2661 PRESSURE: 979200 -235.756 -92.2284 -35.5678 -92.2273 -162.186 141.603 -35.5681 141.603 -254.666 GPRESSURE: 979200 -159.11 -90.573 -26.1003 -109.567 -134.284 227.23 -83.5841 106.625 -256.836 PRESSAVG: 979200 -8.95432 51.3443 -29.7415 51.3443 -64.7288 -3.19711 -29.7416 -3.1971 10.4802 GPRESSAVG: 979200 -9.15613 51.4691 -31.7162 49.4363 -62.5982 -3.29254 -29.5129 0.1314 8.89143 TIMING: 979200 CPU: 2940.9, 0.00300014/step Wall: 2940.9, 0.00300014/step, 3.35082 hours remaining, 208.625000 MB of memory in use. ENERGY: 979200 745.0970 2074.3406 1937.0842 113.2468 -205812.9341 17402.2535 0.0000 0.0000 34435.3897 -149105.5223 300.7328 -183540.9120 -149008.9367 299.0660 -217.5359 -183.4100 556772.5094 -21.0677 -20.9543 PRESSURE: 979400 120.329 -34.2693 -4.07529 -34.2702 -142.802 16.5126 -4.07531 16.5138 58.8698 GPRESSURE: 979400 158.727 -67.095 44.7913 11.2372 -76.5313 10.2864 6.58266 -48.1745 61.0915 PRESSAVG: 979400 -9.97741 22.9721 -58.1673 22.9721 58.8682 12.1805 -58.1673 12.1804 -20.048 GPRESSAVG: 979400 -7.96038 24.486 -57.46 23.9481 56.6108 12.2839 -59.1012 9.0799 -19.7639 TIMING: 979400 CPU: 2941.5, 0.00302062/step Wall: 2941.5, 0.00302062/step, 3.37352 hours remaining, 208.625000 MB of memory in use. ENERGY: 979400 749.3190 2040.3960 1965.8774 110.4058 -205747.8387 17632.8496 0.0000 0.0000 34108.3531 -149140.6378 297.8767 -183248.9909 -149041.5709 299.8123 12.1322 47.7623 555624.3244 9.6142 9.6288 PRESSURE: 979600 -38.3417 -74.2136 -119.095 -74.2127 184.139 0.373479 -119.094 0.372529 -296.188 GPRESSURE: 979600 -31.4226 -151.346 -215.562 -17.2037 234.149 -41.2769 -77.1802 17.7271 -245.882 PRESSAVG: 979600 126.033 40.3164 28.1203 40.3165 -52.3438 49.3078 28.1203 49.3078 -92.2889 GPRESSAVG: 979600 124.074 39.0912 30.0335 40.0881 -51.3958 48.3697 29.5484 51.5301 -91.6733 TIMING: 979600 CPU: 2942.1, 0.00299437/step Wall: 2942.1, 0.00299437/step, 3.34404 hours remaining, 208.625000 MB of memory in use. ENERGY: 979600 715.3144 2134.2150 1934.4696 100.1620 -206208.6596 17766.4835 0.0000 0.0000 34181.3426 -149376.6725 298.5142 -183558.0151 -149280.0813 298.8759 -50.1302 -14.3851 558355.1824 -6.2000 -6.3318 PRESSURE: 979800 251.464 194.283 -268.131 194.281 595.788 -61.6777 -268.13 -61.6782 198.748 GPRESSURE: 979800 329.678 151.442 -237.065 161.3 583.024 -106.233 -269.253 -15.7569 224.265 PRESSAVG: 979800 119.098 46.8456 -12.0609 46.8457 5.45106 -51.3177 -12.0609 -51.3177 -112.83 GPRESSAVG: 979800 120.462 45.6234 -12.8758 47.562 4.74694 -52.2061 -13.8613 -51.1584 -114.011 TIMING: 979800 CPU: 2942.7, 0.00299692/step Wall: 2942.7, 0.00299692/step, 3.34673 hours remaining, 208.625000 MB of memory in use. ENERGY: 979800 711.0637 2094.1506 1916.6255 120.6863 -206872.1307 18305.6058 0.0000 0.0000 34382.7506 -149341.2482 300.2731 -183723.9988 -149240.4118 298.6493 348.6669 378.9891 555364.7388 3.9064 3.7328 PRESSURE: 980000 26.2869 -62.6205 12.1363 -62.619 69.3814 -181.189 12.1364 -181.189 -114.336 GPRESSURE: 980000 92.7726 -62.818 -30.5684 9.85306 72.2653 -187.952 -5.31628 -119.809 -89.6251 PRESSAVG: 980000 25.9244 72.4071 -85.5451 72.4069 21.2854 -24.6239 -85.545 -24.6239 -35.8706 GPRESSAVG: 980000 24.5942 74.374 -83.8494 71.8589 22.1526 -24.6375 -85.7482 -25.0685 -35.367 TIMING: 980000 CPU: 2943.31, 0.00303403/step Wall: 2943.31, 0.00303403/step, 3.388 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: 980000 707.3966 2066.6814 1933.9817 111.7625 -205961.4343 17496.3822 0.0000 0.0000 34357.6008 -149287.6291 300.0535 -183645.2299 -149187.0781 299.3734 -6.2224 25.1376 555794.7236 3.7797 3.7933 PRESSURE: 980200 112.92 -119.58 85.552 -119.579 -2.71836 -82.922 85.5516 -82.9223 162.377 GPRESSURE: 980200 173.299 -165.986 133.811 -110.765 17.5765 -152.646 0.436712 -202.152 179.061 PRESSAVG: 980200 26.387 -18.2405 -18.9308 -18.2405 16.6651 10.5426 -18.9308 10.5425 -31.5427 GPRESSAVG: 980200 27.5447 -18.5033 -19.5384 -18.6093 16.0997 11.5189 -19.8711 8.97386 -32.2593 TIMING: 980200 CPU: 2943.92, 0.00305228/step Wall: 2943.92, 0.00305228/step, 3.40821 hours remaining, 208.625000 MB of memory in use. ENERGY: 980200 762.7737 2092.5431 1941.7645 109.0355 -206637.3549 18101.3715 0.0000 0.0000 34233.3618 -149396.5048 298.9685 -183629.8666 -149302.8229 298.4933 90.8596 123.3123 556344.0902 3.8365 3.7950 LDB: ============= START OF LOAD BALANCING ============== 2947.44 LDB: ============== END OF LOAD BALANCING =============== 2947.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2947.44 LDB: ============= START OF LOAD BALANCING ============== 2947.75 LDB: Largest compute 4794 load 0.026418 is 22.4% of average load 0.117896 LDB: Average compute 0.001735 is 1.5% of average load 0.117896 LDB: TIME 2947.75 LOAD: AVG 0.117896 MAX 0.210454 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.938 MB LDB: TIME 2947.75 LOAD: AVG 0.117896 MAX 0.210454 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.941 MB LDB: TIME 2947.75 LOAD: AVG 0.117896 MAX 0.210454 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.941 MB LDB: ============== END OF LOAD BALANCING =============== 2947.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2947.75 PRESSURE: 980400 -252.418 -26.8758 75.4354 -26.8761 -126.346 -45.8219 75.4358 -45.8212 -299.061 GPRESSURE: 980400 -292.031 -66.2731 97.9863 -39.9868 -77.6193 -9.44124 50.9436 -45.2999 -208.409 PRESSAVG: 980400 28.8441 -3.93778 -3.33901 -3.93779 -19.0502 -58.3916 -3.33898 -58.3917 -4.59152 GPRESSAVG: 980400 28.8578 -3.71187 -3.20371 -3.5684 -19.5716 -57.9161 -3.67593 -57.9059 -4.29679 TIMING: 980400 CPU: 2944.54, 0.00309106/step Wall: 2944.54, 0.00309106/step, 3.45134 hours remaining, 207.843750 MB of memory in use. ENERGY: 980400 718.4066 2061.9835 1917.8423 115.1171 -205947.4085 17500.1371 0.0000 0.0000 34110.2377 -149523.6843 297.8932 -183633.9219 -149433.4620 298.2620 -225.9420 -192.6866 558446.2172 1.7341 1.6631 PRESSURE: 980600 -19.939 -140.772 -60.0617 -140.771 -390.909 -9.14003 -60.0605 -9.13976 -78.956 GPRESSURE: 980600 -9.4864 -223.628 26.08 -107.193 -306.507 58.6297 -52.6244 -28.1882 -73.2271 PRESSAVG: 980600 68.8254 -41.2514 -0.326834 -41.2514 -41.8572 15.5273 -0.326845 15.5272 2.68718 GPRESSAVG: 980600 68.2286 -41.8267 0.685779 -42.3058 -40.6079 14.7609 1.47728 16.8124 2.2352 TIMING: 980600 CPU: 2945.14, 0.00303264/step Wall: 2945.14, 0.00303264/step, 3.38594 hours remaining, 207.843750 MB of memory in use. ENERGY: 980600 743.0641 2085.7936 1932.4550 105.4963 -206246.2501 17686.9764 0.0000 0.0000 34186.5163 -149505.9483 298.5594 -183692.4646 -149409.3526 298.9867 -163.2680 -129.7402 557505.2592 9.8851 9.9520 PRESSURE: 980800 -85.9671 36.3322 107.356 36.3316 -246.158 4.30405 107.356 4.3017 -36.355 GPRESSURE: 980800 -65.2673 44.0824 148.448 44.2794 -214.184 -30.3166 106.065 27.2784 3.09232 PRESSAVG: 980800 35.824 41.1861 -10.6273 41.1862 -91.738 16.172 -10.6274 16.172 42.2538 GPRESSAVG: 980800 36.4222 39.8475 -11.9354 42.6914 -93.0167 17.4646 -11.9753 14.0808 42.5282 TIMING: 980800 CPU: 2945.75, 0.0030371/step Wall: 2945.75, 0.0030371/step, 3.39076 hours remaining, 207.843750 MB of memory in use. ENERGY: 980800 731.5199 2070.0417 1895.8654 111.0914 -206152.0254 17637.8482 0.0000 0.0000 34126.3230 -149579.3358 298.0337 -183705.6588 -149477.1665 298.1529 -122.8266 -92.1197 557379.5902 -4.5534 -4.6888 PRESSURE: 981000 -362.769 18.6875 -170.049 18.688 -6.58559 -192.114 -170.048 -192.113 -432.046 GPRESSURE: 981000 -303.944 -17.3795 -111.264 40.9447 54.07 -101.831 -80.5684 -197.793 -457.427 PRESSAVG: 981000 74.5276 5.98886 -7.43803 5.9888 -56.172 -10.0188 -7.43799 -10.0187 -30.578 GPRESSAVG: 981000 73.6744 4.79613 -8.74781 6.21072 -55.9122 -13.6865 -3.84815 -8.26844 -29.5073 TIMING: 981000 CPU: 2946.35, 0.00301059/step Wall: 2946.35, 0.00301059/step, 3.36099 hours remaining, 207.843750 MB of memory in use. ENERGY: 981000 784.0144 2064.3771 1928.2499 103.5856 -205949.9583 17358.7666 0.0000 0.0000 34053.2540 -149657.7107 297.3955 -183710.9647 -149566.2651 297.9455 -267.1336 -235.7673 556001.5159 -4.0742 -3.9151 PRESSURE: 981200 -107.608 -75.5595 81.4649 -75.5598 18.938 -61.9664 81.4646 -61.9672 55.7139 GPRESSURE: 981200 -67.8732 -49.8148 78.3399 -66.8613 12.6972 -98.7749 117.155 -95.4829 111.639 PRESSAVG: 981200 15.8895 -5.50745 18.2123 -5.50754 -17.9514 -61.4032 18.2123 -61.4032 -22.6237 GPRESSAVG: 981200 16.5221 -3.09006 18.8685 -8.25764 -17.615 -58.6246 16.4762 -61.8041 -24.1783 TIMING: 981200 CPU: 2946.96, 0.00303834/step Wall: 2946.96, 0.00303834/step, 3.39181 hours remaining, 207.843750 MB of memory in use. ENERGY: 981200 753.4243 2080.3688 1923.0496 114.9689 -206671.3525 17911.7869 0.0000 0.0000 34138.5623 -149749.1916 298.1406 -183887.7539 -149653.8204 297.6341 -10.9854 18.8209 555102.9580 -8.2285 -8.4237 PRESSURE: 981400 -131.797 -33.2753 4.31251 -33.2769 170.811 -5.65904 4.3124 -5.65774 388.748 GPRESSURE: 981400 -3.96307 -19.2613 71.7593 -122.657 179.692 25.3834 -95.0451 -10.5534 351.593 PRESSAVG: 981400 -29.5726 26.0331 -8.63894 26.0331 23.7098 -74.2711 -8.63898 -74.2711 16.5455 GPRESSAVG: 981400 -28.4748 27.7599 -7.21025 26.659 22.6346 -74.9528 -9.73193 -73.3043 17.0069 TIMING: 981400 CPU: 2947.57, 0.00302913/step Wall: 2947.57, 0.00302913/step, 3.38134 hours remaining, 207.843750 MB of memory in use. ENERGY: 981400 745.1590 2028.7944 1911.5997 118.9857 -206530.9397 17903.6805 0.0000 0.0000 34268.0276 -149554.6927 299.2712 -183822.7203 -149456.0506 297.4702 142.5874 175.7738 556315.9307 3.5609 3.7222 PRESSURE: 981600 -82.5803 147.812 76.5876 147.81 -68.2899 -83.342 76.5869 -83.3409 330.339 GPRESSURE: 981600 -109.302 176.479 77.8968 114.816 57.6168 -77.4649 145.621 -147.624 340.755 PRESSAVG: 981600 -31.794 5.43829 -27.4173 5.43828 39.9423 -21.0088 -27.4173 -21.0086 27.613 GPRESSAVG: 981600 -33.704 3.79821 -29.5719 6.83824 41.7045 -20.2126 -26.4533 -23.2532 27.8377 TIMING: 981600 CPU: 2948.17, 0.00303521/step Wall: 2948.17, 0.00303521/step, 3.38797 hours remaining, 207.843750 MB of memory in use. ENERGY: 981600 723.5340 2129.8107 1919.1080 114.0292 -206640.8759 17911.3433 0.0000 0.0000 34106.7746 -149736.2761 297.8629 -183843.0507 -149638.1473 297.9237 59.8230 96.3564 555606.6295 11.9205 11.9460 PRESSURE: 981800 -264.278 18.4163 -25.6122 18.416 -146.709 28.6775 -25.6115 28.6775 38.481 GPRESSURE: 981800 -218.879 55.3788 -17.4673 -37.1823 -178.367 66.1712 40.4642 -33.7379 128 PRESSAVG: 981800 -42.6324 -37.0346 -28.8189 -37.0346 -23.4116 -7.83653 -28.819 -7.83639 44.6474 GPRESSAVG: 981800 -41.4179 -37.2638 -31.536 -37.8997 -24.6853 -10.6927 -29.2789 -6.17022 44.1421 TIMING: 981800 CPU: 2948.78, 0.00301645/step Wall: 2948.78, 0.00301645/step, 3.36686 hours remaining, 207.843750 MB of memory in use. ENERGY: 981800 765.7620 2061.3778 1951.2748 100.8231 -206283.6157 17540.3915 0.0000 0.0000 34076.3716 -149787.6149 297.5974 -183863.9865 -149684.8234 298.0088 -124.1687 -89.7485 556045.3566 -7.1322 -7.3204 PRESSURE: 982000 -66.4017 -81.4651 36.9755 -81.4652 -178.288 -158.483 36.9764 -158.484 83.589 GPRESSURE: 982000 -48.912 -124.541 23.6154 -29.926 -73.0034 -157.47 107.229 -164.389 63.0117 PRESSAVG: 982000 2.96188 6.16776 0.289031 6.16771 1.69599 18.8148 0.288989 18.8149 43.7809 GPRESSAVG: 982000 3.02323 7.34038 4.96013 3.68806 1.54978 21.1544 0.0966157 17.7311 43.9029 TIMING: 982000 CPU: 2949.37, 0.00298415/step Wall: 2949.37, 0.00298415/step, 3.33064 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: 982000 775.2108 2081.7362 1918.6589 124.3055 -206647.5954 17911.7838 0.0000 0.0000 34129.9161 -149705.9842 298.0650 -183835.9003 -149607.3858 297.3710 -53.7002 -19.6345 556953.3048 16.1463 16.1586 PRESSURE: 982200 -265.985 -87.2171 -154.558 -87.2175 -375.984 -28.4772 -154.559 -28.478 -285.929 GPRESSURE: 982200 -273.529 -96.6748 -116.501 -94.4901 -293.262 -117.64 -97.6132 8.15666 -265.814 PRESSAVG: 982200 -9.28603 -5.66689 -2.45026 -5.66692 -8.10089 -31.5335 -2.45027 -31.5334 17.6807 GPRESSAVG: 982200 -10.488 -7.44106 -4.63682 -2.15988 -6.60518 -29.4921 -1.08017 -29.0528 18.0695 TIMING: 982200 CPU: 2949.98, 0.0030174/step Wall: 2949.98, 0.0030174/step, 3.36758 hours remaining, 207.843750 MB of memory in use. ENERGY: 982200 745.4357 2051.7823 1914.4465 120.8048 -206199.1638 17402.5729 0.0000 0.0000 34168.9634 -149795.1582 298.4061 -183964.1216 -149700.2737 297.5952 -309.2993 -277.5349 557967.3637 0.0979 0.3254 PRESSURE: 982400 29.978 213.803 -25.1916 213.802 -153.249 -88.4784 -25.1909 -88.4781 -30.8495 GPRESSURE: 982400 47.7758 182.041 -17.0353 201.618 -77.0453 -188.539 -20.66 -145.661 -23.6108 PRESSAVG: 982400 -30.9108 -53.3011 12.271 -53.3011 8.48086 -9.7551 12.2711 -9.75516 23.0121 GPRESSAVG: 982400 -31.5457 -53.1555 14.6103 -54.9138 8.26725 -12.6456 10.4849 -10.2553 24.206 TIMING: 982400 CPU: 2950.58, 0.00300454/step Wall: 2950.58, 0.00300454/step, 3.35307 hours remaining, 207.843750 MB of memory in use. ENERGY: 982400 723.6702 2054.4962 1917.9907 110.1205 -206355.0945 17821.4134 0.0000 0.0000 33947.7066 -149779.6968 296.4738 -183727.4034 -149684.8645 297.3500 -51.3734 -17.6268 558239.7351 0.1940 0.3092 PRESSURE: 982600 33.8949 38.5745 -11.4465 38.5745 286.036 100.84 -11.4466 100.839 -23.9237 GPRESSURE: 982600 65.9999 -6.20337 -38.0112 31.2135 277.369 43.2871 -52.8188 89.5744 47.6188 PRESSAVG: 982600 -21.8201 7.17273 -44.6398 7.17276 17.1551 -8.55116 -44.6398 -8.55113 16.8777 GPRESSAVG: 982600 -21.3547 7.7921 -45.5943 6.04516 16.7228 -7.51477 -45.3102 -11.1625 16.942 TIMING: 982600 CPU: 2951.18, 0.00300896/step Wall: 2951.18, 0.00300896/step, 3.35783 hours remaining, 207.843750 MB of memory in use. ENERGY: 982600 754.8919 2051.9149 1929.6503 104.0344 -206768.9409 18002.8134 0.0000 0.0000 34271.5808 -149654.0552 299.3022 -183925.6360 -149560.8207 298.0406 98.6690 130.3293 556968.6266 4.0709 4.1034 PRESSURE: 982800 -69.5993 2.48479 13.6303 2.48396 67.8601 -26.3734 13.6305 -26.3724 216.358 GPRESSURE: 982800 34.1992 -67.5509 21.3615 34.2607 77.017 -48.9448 -7.67295 -63.3385 210.198 PRESSAVG: 982800 -34.3847 -9.47245 -7.12568 -9.47239 23.9674 -36.2425 -7.12573 -36.2425 17.683 GPRESSAVG: 982800 -34.7906 -9.85516 -7.4303 -8.55159 24.2632 -36.9828 -5.5253 -34.9959 16.9122 TIMING: 982800 CPU: 2951.78, 0.00302003/step Wall: 2951.78, 0.00302003/step, 3.37002 hours remaining, 207.843750 MB of memory in use. ENERGY: 982800 754.3830 2029.6549 1925.8758 101.6320 -206302.2037 18010.5620 0.0000 0.0000 33880.5558 -149599.5401 295.8873 -183480.0959 -149505.3935 298.3302 71.5396 107.1382 557697.9437 2.4219 2.1283 PRESSURE: 983000 36.2256 91.5444 -109.717 91.5444 -228.612 -26.3279 -109.716 -26.3293 -277.4 GPRESSURE: 983000 64.6481 168.502 -118.803 129.638 -182.815 -97.1262 -70.5372 1.89965 -259.162 PRESSAVG: 983000 65.524 34.0629 -35.0411 34.0629 -45.2632 -18.0892 -35.041 -18.0891 -23.7876 GPRESSAVG: 983000 64.8962 35.6374 -35.7431 31.8727 -45.8246 -17.6307 -34.1046 -16.8911 -22.9606 TIMING: 983000 CPU: 2952.39, 0.00302218/step Wall: 2952.39, 0.00302218/step, 3.37224 hours remaining, 207.843750 MB of memory in use. ENERGY: 983000 721.0244 2080.8272 1935.1692 113.6296 -206085.4681 17646.6792 0.0000 0.0000 34260.9650 -149327.1736 299.2095 -183588.1385 -149228.7622 298.3853 -156.5955 -125.7762 558878.2235 -1.1756 -1.2963 PRESSURE: 983200 -343.287 -55.2263 93.7396 -55.2262 -148.636 -62.5526 93.7393 -62.5528 -374.427 GPRESSURE: 983200 -351.814 -77.1978 22.2082 -171.778 -89.8434 29.8998 157.381 -123.003 -330.645 PRESSAVG: 983200 -22.5183 -18.4986 39.1724 -18.4985 24.2227 -10.4856 39.1724 -10.4857 -1.32004 GPRESSAVG: 983200 -21.0885 -19.612 38.5634 -15.5854 23.4995 -10.5825 39.2121 -12.3996 -1.81744 TIMING: 983200 CPU: 2953, 0.00303041/step Wall: 2953, 0.00303041/step, 3.38127 hours remaining, 207.843750 MB of memory in use. ENERGY: 983200 723.1469 2070.9457 1916.3700 112.3982 -206236.5521 17559.4887 0.0000 0.0000 34334.6699 -149519.5326 299.8532 -183854.2025 -149416.1968 298.6931 -288.7833 -257.4341 557983.4023 0.1281 0.1979 PRESSURE: 983400 -151.289 46.0358 -103.662 46.0359 103.12 63.7657 -103.663 63.7666 -187.771 GPRESSURE: 983400 -105.864 66.247 -120.44 45.7218 101.287 111.472 -32.252 94.834 -139.324 PRESSAVG: 983400 -80.0138 -49.2986 22.6651 -49.2986 39.0099 54.4369 22.665 54.4368 11.3737 GPRESSAVG: 983400 -79.6714 -48.9476 24.254 -51.895 38.676 54.7173 21.574 55.6641 11.2863 TIMING: 983400 CPU: 2953.6, 0.00302032/step Wall: 2953.6, 0.00302032/step, 3.36984 hours remaining, 207.843750 MB of memory in use. ENERGY: 983400 749.0083 2076.6841 1941.5216 106.8926 -206251.7531 17891.9511 0.0000 0.0000 34037.2676 -149448.4279 297.2559 -183485.6955 -149347.5182 298.2755 -78.6467 -47.9673 558740.8153 -9.8767 -9.9030 PRESSURE: 983600 -97.6605 -183.705 103.17 -183.705 51.9322 99.8636 103.17 99.8639 -17.7326 GPRESSURE: 983600 -93.8811 -112.099 141.132 -189.445 74.8025 56.7792 75.0003 152.941 51.5547 PRESSAVG: 983600 31.4753 -26.5742 22.3712 -26.5741 34.5631 67.8602 22.3712 67.8602 -60.5317 GPRESSAVG: 983600 30.7145 -27.0732 21.6737 -25.7387 35.3603 67.4299 23.0064 68.0519 -60.4295 TIMING: 983600 CPU: 2954.2, 0.0029964/step Wall: 2954.2, 0.0029964/step, 3.34299 hours remaining, 207.843750 MB of memory in use. ENERGY: 983600 714.7536 2105.1936 1913.8559 113.8370 -206045.0542 17880.1115 0.0000 0.0000 34163.9925 -149153.3100 298.3626 -183317.3025 -149056.8054 298.6668 -21.1536 10.8253 558762.4546 1.8355 1.8818 PRESSURE: 983800 100.771 -0.164183 197.442 -0.164869 14.3362 -162.262 197.442 -162.264 -66.1291 GPRESSURE: 983800 127.126 63.8101 183.662 26.2848 74.8125 -156.526 205.832 -219.079 -57.7023 PRESSAVG: 983800 19.9165 -5.71363 38.128 -5.71363 59.2769 0.419692 38.1281 0.419611 -107.426 GPRESSAVG: 983800 18.9076 -7.27863 37.9587 -5.68537 61.2646 -1.00042 37.0194 -1.3306 -108.364 TIMING: 983800 CPU: 2954.8, 0.00300313/step Wall: 2954.8, 0.00300313/step, 3.35033 hours remaining, 207.843750 MB of memory in use. ENERGY: 983800 745.8555 2077.7930 1949.7984 104.5836 -206106.7356 17813.8769 0.0000 0.0000 34221.1955 -149193.6325 298.8622 -183414.8280 -149094.4390 299.8374 16.3259 48.0788 556575.7713 -9.4110 -9.3974 PRESSURE: 984000 129.789 -107.092 -17.0011 -107.091 -148.766 23.2247 -17.0011 23.2241 -217.004 GPRESSURE: 984000 149.802 -66.7606 -38.4397 -167.601 -79.3266 61.0806 1.64201 -2.03822 -200.084 PRESSAVG: 984000 3.2393 -9.84211 127.737 -9.84214 34.9699 -30.8791 127.737 -30.8791 -42.2615 GPRESSAVG: 984000 3.10447 -8.31406 126.52 -10.5081 35.0778 -30.4463 128.699 -28.2451 -42.2437 TIMING: 984000 CPU: 2955.4, 0.00299437/step Wall: 2955.4, 0.00299437/step, 3.34038 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: 984000 780.9864 2049.6030 1916.8755 125.4947 -205695.0010 17619.1107 0.0000 0.0000 34188.2900 -149014.6407 298.5748 -183202.9306 -148906.3699 299.9604 -78.6606 -43.2028 556791.7216 -1.3508 -1.3538 PRESSURE: 984200 157.873 -35.2508 -116.454 -35.2494 34.0384 209.895 -116.455 209.895 86.4186 GPRESSURE: 984200 130.388 -26.7312 -57.861 -112.639 130.635 208.352 -170.223 203.285 115.14 PRESSAVG: 984200 51.9568 -15.3056 -1.87165 -15.3056 -1.97866 22.5568 -1.87163 22.5568 -31.0787 GPRESSAVG: 984200 52.1209 -15.6496 1.00205 -14.5865 -3.13883 23.2804 -3.05331 20.8418 -30.0582 TIMING: 984200 CPU: 2956, 0.00299253/step Wall: 2956, 0.00299253/step, 3.33817 hours remaining, 207.843750 MB of memory in use. ENERGY: 984200 736.7071 2054.5570 1945.8045 116.3838 -206349.5698 18071.5611 0.0000 0.0000 34294.6688 -149129.8874 299.5039 -183424.5562 -149028.9312 299.0988 92.7767 125.3874 557512.8762 6.2998 6.3079 LDB: ============= START OF LOAD BALANCING ============== 2959.51 LDB: ============== END OF LOAD BALANCING =============== 2959.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2959.52 LDB: ============= START OF LOAD BALANCING ============== 2959.82 LDB: Largest compute 4794 load 0.027716 is 23.5% of average load 0.117823 LDB: Average compute 0.001741 is 1.5% of average load 0.117823 LDB: TIME 2959.82 LOAD: AVG 0.117823 MAX 0.210841 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.629 MB LDB: TIME 2959.82 LOAD: AVG 0.117823 MAX 0.210841 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.629 MB LDB: TIME 2959.82 LOAD: AVG 0.117823 MAX 0.210841 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.629 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2959.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2959.83 PRESSURE: 984400 248.555 218.923 22.7908 218.923 -26.1386 -0.0201476 22.791 -0.0191217 -69.4886 GPRESSURE: 984400 289.765 234.242 3.49151 228.719 -88.4787 -10.5282 -27.9393 67.8959 55.2934 PRESSAVG: 984400 20.6681 14.6878 16.8765 14.6877 -16.0363 -15.9297 16.8765 -15.9297 -30.965 GPRESSAVG: 984400 21.5884 15.9136 14.9985 15.5747 -16.1633 -17.1336 17.04 -15.8713 -31.2549 TIMING: 984400 CPU: 2956.61, 0.00306344/step Wall: 2956.61, 0.00306344/step, 3.4171 hours remaining, 208.171875 MB of memory in use. ENERGY: 984400 745.2664 2061.9909 1928.3576 118.1205 -205830.6251 17684.4577 0.0000 0.0000 34258.6067 -149033.8253 299.1889 -183292.4320 -148937.8998 299.7146 50.9759 85.5267 557095.1970 -8.7777 -8.6099 PRESSURE: 984600 314.17 40.5275 60.2737 40.5269 126.555 -68.2559 60.2737 -68.2546 263.066 GPRESSURE: 984600 345.97 -78.027 46.9505 89.1443 136.405 -80.2095 121.879 -69.3846 317.641 PRESSAVG: 984600 -69.5833 -9.239 -27.9449 -9.23903 63.4815 -14.2843 -27.945 -14.2844 -4.98414 GPRESSAVG: 984600 -69.9566 -10.7197 -26.6393 -8.91103 62.5538 -13.3779 -29.0073 -13.1624 -3.58521 TIMING: 984600 CPU: 2957.21, 0.00299605/step Wall: 2957.21, 0.00299605/step, 3.34176 hours remaining, 208.242188 MB of memory in use. ENERGY: 984600 709.2963 2060.6250 1909.4407 128.1064 -206250.6594 17910.8024 0.0000 0.0000 34459.0624 -149073.3262 300.9396 -183532.3885 -148974.6687 299.0743 234.5971 266.6718 555723.5664 -3.6953 -3.6627 PRESSURE: 984800 181.733 -38.8182 72.6003 -38.8164 -171.154 131.005 72.6018 131.006 105.156 GPRESSURE: 984800 201.458 -88.2138 -30.8367 -5.69308 -98.6555 61.4324 108.628 103.458 109.249 PRESSAVG: 984800 -32.5135 -18.1433 22.385 -18.1433 -18.7381 51.2145 22.3851 51.2145 52.5859 GPRESSAVG: 984800 -31.6024 -16.6433 21.9352 -19.7141 -17.1416 51.4033 22.9699 49.9136 50.4942 TIMING: 984800 CPU: 2957.82, 0.00303157/step Wall: 2957.82, 0.00303158/step, 3.38122 hours remaining, 208.242188 MB of memory in use. ENERGY: 984800 778.4727 2041.3387 1934.5680 120.5134 -206107.1673 17809.5922 0.0000 0.0000 34384.6077 -149038.0746 300.2893 -183422.6823 -148939.9673 299.9864 38.5785 70.6839 557784.1720 0.4448 0.5834 PRESSURE: 985000 -308.667 -99.7866 -150.389 -99.7858 -146.54 -71.7743 -150.39 -71.7763 -189.674 GPRESSURE: 985000 -259.516 -27.9919 -108.356 -159.016 -101.967 -66.8803 -105.059 -123.96 -186.811 PRESSAVG: 985000 -25.2077 -1.5632 5.91667 -1.56321 37.0659 2.47388 5.91665 2.47376 -12.9874 GPRESSAVG: 985000 -24.7187 -2.19411 5.79481 -0.39069 35.6471 4.46139 7.9989 1.64518 -11.6573 TIMING: 985000 CPU: 2958.42, 0.00302775/step Wall: 2958.42, 0.00302775/step, 3.37678 hours remaining, 208.242188 MB of memory in use. ENERGY: 985000 734.5583 2048.9289 1948.1983 117.8139 -205743.1965 17368.5703 0.0000 0.0000 34279.5630 -149245.5638 299.3720 -183525.1269 -149147.5562 299.3652 -214.9605 -182.7647 556768.5360 -0.3764 -0.2430 PRESSURE: 985200 -214.291 -65.343 -227.46 -65.3433 10.1094 80.9418 -227.46 80.9438 -305.205 GPRESSURE: 985200 -178.421 -32.5431 -208.228 -182.742 70.7259 116.132 -262.302 68.6577 -305.874 PRESSAVG: 985200 54.3417 -18.1439 -69.2378 -18.144 -16.78 2.67972 -69.2379 2.67973 -41.4563 GPRESSAVG: 985200 53.4025 -17.6394 -66.4791 -18.9558 -16.1364 2.15976 -71.3461 3.7429 -41.4284 TIMING: 985200 CPU: 2959.02, 0.00301643/step Wall: 2959.02, 0.00301643/step, 3.36399 hours remaining, 208.242188 MB of memory in use. ENERGY: 985200 738.2018 2057.7972 1916.1051 124.4076 -205987.5820 17645.4556 0.0000 0.0000 34230.7015 -149274.9132 298.9452 -183505.6147 -149169.8645 299.4804 -169.7956 -137.8562 557046.5733 -1.2982 -1.3874 PRESSURE: 985400 54.8587 -129.809 126.88 -129.809 199.841 -23.221 126.88 -23.2222 -102.058 GPRESSURE: 985400 114.705 -134.803 124.015 -83.7264 201.22 -1.98494 140.125 -44.3084 -68.4199 PRESSAVG: 985400 27.4107 32.0313 -9.23227 32.0313 3.59508 -1.64823 -9.23217 -1.6481 -37.4687 GPRESSAVG: 985400 28.3698 31.5134 -12.3542 32.1013 3.08783 -2.78048 -6.82632 -0.417306 -38.0733 TIMING: 985400 CPU: 2959.63, 0.00300978/step Wall: 2959.63, 0.00300978/step, 3.35641 hours remaining, 208.242188 MB of memory in use. ENERGY: 985400 766.2172 2100.9248 1923.5058 101.2839 -206525.9185 18099.6859 0.0000 0.0000 34218.4569 -149315.8441 298.8383 -183534.3010 -149220.7021 299.0476 50.8803 82.5015 557559.7101 -2.1543 -2.2052 PRESSURE: 985600 -6.70182 27.015 61.9492 27.0137 -79.7896 -11.5828 61.9494 -11.5818 139.489 GPRESSURE: 985600 27.182 6.20481 143.671 126.524 -64.6082 94.8132 35.2479 -68.759 169.985 PRESSAVG: 985600 19.9968 22.4325 -39.9055 22.4324 -30.8831 -13.2062 -39.9055 -13.2063 -9.38303 GPRESSAVG: 985600 19.5364 22.69 -39.5805 22.0772 -31.4128 -12.7889 -40.0991 -14.1626 -8.65233 TIMING: 985600 CPU: 2960.22, 0.00298286/step Wall: 2960.22, 0.00298286/step, 3.32622 hours remaining, 208.242188 MB of memory in use. ENERGY: 985600 774.3280 2107.1593 1937.6302 107.9174 -206035.6741 17846.5531 0.0000 0.0000 34009.0725 -149253.0137 297.0097 -183262.0862 -149157.6272 299.2397 17.6657 44.1862 558468.3796 -6.7564 -6.8429 PRESSURE: 985800 15.5911 45.6322 90.0385 45.6312 -124.873 -12.7125 90.0386 -12.7138 41.8427 GPRESSURE: 985800 -13.9961 66.5241 -0.373827 -0.708306 -80.4171 117.192 224.197 -33.4759 127.817 PRESSAVG: 985800 -8.61299 -3.49234 49.5956 -3.49232 20.4014 -0.0327065 49.5956 -0.0327157 -12.2786 GPRESSAVG: 985800 -7.44602 -3.53508 48.77 -3.20716 21.8515 0.565055 48.5676 0.150935 -14.1523 TIMING: 985800 CPU: 2960.82, 0.00300844/step Wall: 2960.82, 0.00300844/step, 3.35458 hours remaining, 208.242188 MB of memory in use. ENERGY: 985800 802.2153 2081.7019 1936.3457 112.9555 -206126.4942 17810.2891 0.0000 0.0000 34160.5333 -149222.4534 298.3324 -183382.9867 -149122.5968 298.7539 -22.4798 11.1347 557874.0508 -0.1634 0.0844 PRESSURE: 986000 120.801 -90.4476 -12.2337 -90.4457 370.674 100.387 -12.2332 100.388 -40.6693 GPRESSURE: 986000 181.649 -46.5761 -46.3125 -37.8184 354.063 12.2237 90.5284 191.035 3.10828 PRESSAVG: 986000 34.2142 -12.6044 -22.3817 -12.6045 -6.20224 -1.09971 -22.3816 -1.09985 -7.71321 GPRESSAVG: 986000 34.7958 -10.9763 -22.524 -13.2421 -8.26744 -3.57153 -23.4439 0.427297 -6.20971 TIMING: 986000 CPU: 2961.43, 0.00301805/step Wall: 2961.43, 0.00301805/step, 3.36512 hours remaining, 208.242188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 986000 773.1184 2017.4463 1926.7026 102.1664 -206376.2084 18083.5284 0.0000 0.0000 34221.7137 -149251.5326 298.8667 -183473.2463 -149153.9395 299.2482 150.2684 179.6066 557361.1103 6.7663 6.7729 PRESSURE: 986200 -72.5469 137.606 -156.28 137.606 -85.8441 50.4007 -156.282 50.4039 94.7507 GPRESSURE: 986200 -42.8141 154.886 -125.507 165.515 2.59551 54.2101 -133.521 67.7524 69.9105 PRESSAVG: 986200 13.3081 -14.9303 -40.7131 -14.9303 11.905 51.6981 -40.713 51.6983 10.173 GPRESSAVG: 986200 11.9989 -16.2305 -40.1893 -16.2712 12.3116 52.2114 -39.5177 50.7661 10.9801 TIMING: 986200 CPU: 2962.03, 0.00303507/step Wall: 2962.03, 0.00303507/step, 3.38393 hours remaining, 208.242188 MB of memory in use. ENERGY: 986200 724.5126 2105.5842 1916.6243 120.4554 -206402.5968 17891.7740 0.0000 0.0000 34348.6005 -149295.0458 299.9749 -183643.6463 -149201.3303 299.0596 -21.2134 9.8973 558024.1472 11.7954 11.7635 PRESSURE: 986400 43.4786 5.30276 3.46161 5.30218 202.329 -174.031 3.46231 -174.031 -314.011 GPRESSURE: 986400 84.6662 -23.1724 158.816 -47.2598 201.639 -180.758 -186.13 -170.843 -259.105 PRESSAVG: 986400 -15.2153 35.5004 -6.85093 35.5004 61.8879 12.3098 -6.85095 12.3097 -30.4633 GPRESSAVG: 986400 -15.6563 34.0993 -7.73963 37.6156 62.3385 15.081 -6.93756 12.4943 -30.6592 TIMING: 986400 CPU: 2962.64, 0.00303675/step Wall: 2962.64, 0.00303675/step, 3.38564 hours remaining, 208.242188 MB of memory in use. ENERGY: 986400 679.0844 2067.0826 1925.4385 111.6323 -206368.6147 17846.7171 0.0000 0.0000 34514.0144 -149224.6454 301.4195 -183738.6598 -149122.7828 299.2994 -22.7347 9.0668 558020.5245 5.4031 5.3410 PRESSURE: 986600 -278.228 21.4134 -90.7528 21.4125 71.8572 63.4573 -90.7528 63.4565 74.3587 GPRESSURE: 986600 -214.97 61.0102 -91.8206 46.9893 54.8842 75.2022 -96.8256 118.614 114.641 PRESSAVG: 986600 -11.4035 51.1163 -43.0678 51.1163 26.1707 58.1719 -43.0677 58.172 -16.572 GPRESSAVG: 986600 -11.268 51.2098 -40.1782 49.784 25.6266 56.8151 -42.551 57.3124 -16.3028 TIMING: 986600 CPU: 2963.25, 0.00302388/step Wall: 2963.25, 0.00302388/step, 3.37112 hours remaining, 208.242188 MB of memory in use. ENERGY: 986600 776.8566 2042.1846 1962.8197 111.0213 -206141.0055 17796.7458 0.0000 0.0000 34306.5733 -149144.8041 299.6078 -183451.3775 -149051.3257 299.2299 -44.0041 -15.1483 557919.4328 -0.6016 -0.6480 PRESSURE: 986800 42.0418 12.4661 76.1962 12.4675 114.252 -64.8072 76.197 -64.809 -80.3891 GPRESSURE: 986800 96.3703 -67.8618 90.2847 -27.6399 135.117 -18.919 16.1868 -84.0016 -46.9937 PRESSAVG: 986800 -1.0786 4.49052 -19.6463 4.49054 66.839 -26.4274 -19.6463 -26.4274 -7.0098 GPRESSAVG: 986800 -0.874762 6.29305 -21.1145 4.25173 66.5826 -25.0096 -18.8472 -25.6267 -7.11582 TIMING: 986800 CPU: 2963.85, 0.00302388/step Wall: 2963.85, 0.00302388/step, 3.37096 hours remaining, 208.242188 MB of memory in use. ENERGY: 986800 757.2843 2074.7424 1926.4691 107.7668 -206375.2272 17999.8447 0.0000 0.0000 34266.8915 -149242.2283 299.2613 -183509.1198 -149142.6935 299.1646 25.3015 61.4979 556015.0826 19.5835 19.5307 PRESSURE: 987000 -18.9467 -25.5225 88.717 -25.5226 -157.083 -64.7005 88.7167 -64.7011 111.143 GPRESSURE: 987000 50.7835 -44.0753 65.9561 -69.3027 -110.9 -41.4264 220.038 -27.2769 93.2477 PRESSAVG: 987000 -31.9541 -21.6856 15.0098 -21.6856 48.6877 -38.6668 15.0099 -38.6669 -21.0304 GPRESSAVG: 987000 -31.7909 -21.6044 13.7789 -21.9789 49.8693 -40.4211 14.4043 -38.3303 -22.2658 TIMING: 987000 CPU: 2964.45, 0.00300697/step Wall: 2964.45, 0.00300697/step, 3.35193 hours remaining, 208.242188 MB of memory in use. ENERGY: 987000 766.2296 2129.8370 1941.3615 108.1983 -206117.7259 17756.8170 0.0000 0.0000 34117.4516 -149297.8308 297.9562 -183415.2825 -149203.0320 299.6174 -21.6289 11.0436 558069.1634 -1.4323 -1.3958 PRESSURE: 987200 -261.729 -105.1 -26.2709 -105.101 42.2992 120.159 -26.2707 120.158 -149.851 GPRESSURE: 987200 -225.307 -100.68 -15.9416 -96.9681 96.4577 94.0309 -60.6705 191.312 -131.384 PRESSAVG: 987200 -6.21814 -3.83386 -19.4092 -3.83391 -25.2358 -43.8402 -19.4091 -43.8401 0.214262 GPRESSAVG: 987200 -6.44536 -4.50202 -18.2482 -2.25595 -25.9397 -43.4639 -19.6112 -44.1331 1.11084 TIMING: 987200 CPU: 2965.05, 0.00298982/step Wall: 2965.05, 0.00298982/step, 3.33266 hours remaining, 208.242188 MB of memory in use. ENERGY: 987200 754.7198 2101.3876 1919.9056 101.8044 -206163.3722 17831.6979 0.0000 0.0000 34037.3662 -149416.4907 297.2568 -183453.8570 -149319.4515 299.1743 -123.0935 -86.7444 557601.8647 -10.4132 -10.4248 PRESSURE: 987400 -152.5 39.9483 -1.57968 39.9484 -230.96 -11.2661 -1.57974 -11.266 -38.9458 GPRESSURE: 987400 -153.364 52.2977 41.0996 5.19521 -213.276 34.3468 -53.7776 -7.8469 39.7872 PRESSAVG: 987400 -11.0998 -34.5897 29.2183 -34.5897 2.04062 25.1799 29.2183 25.1798 24.2974 GPRESSAVG: 987400 -10.0753 -34.9917 29.7531 -35.7806 2.83471 24.3933 30.0822 25.8889 22.6128 TIMING: 987400 CPU: 2965.65, 0.00300065/step Wall: 2965.65, 0.00300065/step, 3.34456 hours remaining, 208.242188 MB of memory in use. ENERGY: 987400 793.2008 2066.8761 1935.0804 112.9439 -206294.5014 17863.4964 0.0000 0.0000 34082.9093 -149439.9946 297.6545 -183522.9039 -149351.4811 299.3336 -140.8020 -108.9509 559446.2287 5.0794 5.1241 PRESSURE: 987600 -224.243 -78.7688 154.718 -78.7679 157.32 -75.7556 154.719 -75.7553 -8.57895 GPRESSURE: 987600 -154.88 -152.845 130.434 9.8763 162.803 -107.607 146.924 -28.4942 5.19073 PRESSAVG: 987600 -44.1623 9.95575 35.7486 9.95579 -5.89047 -25.9986 35.7486 -25.9986 1.83629 GPRESSAVG: 987600 -44.0304 9.84649 35.9127 10.2031 -6.38676 -25.807 34.9619 -24.5174 1.69412 TIMING: 987600 CPU: 2966.26, 0.003027/step Wall: 2966.26, 0.003027/step, 3.37376 hours remaining, 208.242188 MB of memory in use. ENERGY: 987600 774.8653 2110.6628 1936.7151 126.4022 -206347.1579 18022.9497 0.0000 0.0000 34079.0969 -149296.4661 297.6212 -183375.5629 -149196.4421 299.1646 -25.1672 4.3711 558583.7409 -16.0722 -16.2410 PRESSURE: 987800 -94.5306 -69.9903 73.2565 -69.9907 -173.664 23.2848 73.2552 23.2837 -236.993 GPRESSURE: 987800 -28.4902 32.9444 24.6834 -155.293 -181.353 85.6802 20.6805 -27.0843 -197.114 PRESSAVG: 987800 50.3265 -36.0607 19.7221 -36.0606 -5.66154 1.11615 19.722 1.1161 -14.4365 GPRESSAVG: 987800 49.3753 -35.446 18.4517 -34.9816 -5.87903 1.35027 18.7342 -1.72974 -13.0125 TIMING: 987800 CPU: 2966.86, 0.00303941/step Wall: 2966.86, 0.00303941/step, 3.38742 hours remaining, 208.242188 MB of memory in use. ENERGY: 987800 753.2878 2083.9240 1919.6676 116.3965 -206291.7048 17757.5093 0.0000 0.0000 34220.8709 -149440.0488 298.8594 -183660.9197 -149337.9257 298.7380 -168.3959 -135.6524 559032.7441 10.0761 10.1613 PRESSURE: 988000 66.5778 -102.483 -71.5265 -102.483 1.46233 162.804 -71.5265 162.804 84.8082 GPRESSURE: 988000 83.9768 -142.153 -32.5023 -101.629 61.1492 172.347 -44.3243 67.8958 106.629 PRESSAVG: 988000 10.1264 6.09121 61.0418 6.09121 -17.287 -21.5627 61.0418 -21.5628 2.44757 GPRESSAVG: 988000 10.9462 3.94747 62.1978 4.94446 -18.1574 -20.5418 62.8846 -21.8677 2.04987 TIMING: 988000 CPU: 2967.47, 0.00303338/step Wall: 2967.47, 0.00303338/step, 3.38053 hours remaining, 208.242188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 988000 759.8831 2070.2613 1933.8746 114.8062 -206337.8726 17939.8776 0.0000 0.0000 34206.1799 -149312.9900 298.7311 -183519.1699 -149217.9459 298.3961 50.9494 83.9183 557299.2945 -1.5710 -1.7204 PRESSURE: 988200 -216.664 -21.0198 16.3685 -21.0195 -90.5012 98.4503 16.3686 98.4514 -69.5087 GPRESSURE: 988200 -188.412 25.1496 -35.876 -86.1439 -53.6742 123.145 44.5534 40.0635 -24.7961 PRESSAVG: 988200 -17.5282 72.992 20.9198 72.992 41.9962 8.13064 20.9199 8.13065 -7.64663 GPRESSAVG: 988200 -19.2167 73.84 21.3585 73.6143 43.7464 6.4018 19.5192 8.85015 -7.36629 TIMING: 988200 CPU: 2968.08, 0.00303339/step Wall: 2968.08, 0.00303339/step, 3.38038 hours remaining, 208.242188 MB of memory in use. ENERGY: 988200 780.3974 2109.4950 1923.0322 140.8928 -205791.4972 17568.3807 0.0000 0.0000 34107.9877 -149161.3113 297.8735 -183269.2990 -149062.7371 298.4861 -125.5579 -88.9608 558616.3815 5.6071 5.7212 LDB: ============= START OF LOAD BALANCING ============== 2971.6 LDB: ============== END OF LOAD BALANCING =============== 2971.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2971.61 LDB: ============= START OF LOAD BALANCING ============== 2971.91 LDB: Largest compute 4800 load 0.027716 is 23.5% of average load 0.117841 LDB: Average compute 0.001736 is 1.5% of average load 0.117841 LDB: TIME 2971.91 LOAD: AVG 0.117841 MAX 0.213213 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.453 MB LDB: TIME 2971.91 LOAD: AVG 0.117841 MAX 0.213213 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.656 MB LDB: TIME 2971.91 LOAD: AVG 0.117841 MAX 0.213213 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.656 MB LDB: ============== END OF LOAD BALANCING =============== 2971.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2971.92 PRESSURE: 988400 149.215 -5.28403 83.8574 -5.28383 190.103 65.6025 83.8568 65.6019 -101.29 GPRESSURE: 988400 182.898 -80.0508 70.8521 33.027 243.416 31.3234 134.596 26.3016 -89.895 PRESSAVG: 988400 -21.9676 90.49 38.8583 90.4899 72.1824 49.9316 38.8584 49.9315 -41.2456 GPRESSAVG: 988400 -20.7543 93.0858 39.0037 90.7554 71.5035 49.2006 39.5299 50.3524 -41.7501 TIMING: 988400 CPU: 2968.7, 0.00313342/step Wall: 2968.7, 0.00313342/step, 3.49168 hours remaining, 209.250000 MB of memory in use. ENERGY: 988400 723.5882 2096.0547 1922.1417 115.6611 -206295.8746 17940.9226 0.0000 0.0000 34260.2776 -149237.2287 299.2035 -183497.5063 -149143.9349 298.7087 79.3425 112.1397 557260.8044 2.9897 2.9997 PRESSURE: 988600 -148.711 -12.5607 -5.759 -12.5607 -134.611 -155.885 -5.75959 -155.886 13.618 GPRESSURE: 988600 -136.899 1.56792 -2.32355 -34.8522 -54.9631 -143.549 18.5741 -191.108 3.26997 PRESSAVG: 988600 -72.7689 61.1261 -12.2775 61.1261 32.9748 -26.4496 -12.2776 -26.4495 40.4996 GPRESSAVG: 988600 -72.7769 59.4826 -11.972 60.6659 32.338 -25.9306 -12.213 -26.4411 41.2891 TIMING: 988600 CPU: 2969.32, 0.00307146/step Wall: 2969.32, 0.00307146/step, 3.42246 hours remaining, 209.250000 MB of memory in use. ENERGY: 988600 774.8394 2081.0648 1888.2005 112.2516 -206072.2720 17758.5316 0.0000 0.0000 34129.2767 -149328.1073 298.0595 -183457.3840 -149232.6054 298.8077 -89.9012 -62.8639 559580.5314 0.2352 0.2834 PRESSURE: 988800 -365.469 8.15617 -89.2731 8.15534 -63.1462 -149.975 -89.2743 -149.976 -60.2636 GPRESSURE: 988800 -337.889 89.4837 -11.8804 18.6536 -23.3211 -129.916 -110.889 -112.467 -37.3474 PRESSAVG: 988800 2.15429 34.4979 0.0828996 34.498 -31.9983 -15.9263 0.0827268 -15.9262 49.1058 GPRESSAVG: 988800 2.61524 34.4015 1.37788 33.6327 -32.703 -15.1209 0.614817 -15.8628 48.8835 TIMING: 988800 CPU: 2969.93, 0.00304008/step Wall: 2969.93, 0.00304008/step, 3.38733 hours remaining, 209.507812 MB of memory in use. ENERGY: 988800 771.5849 2076.9806 1932.6832 123.7050 -206233.9939 17697.6572 0.0000 0.0000 34246.6225 -149384.7605 299.0843 -183631.3830 -149291.2290 298.5338 -162.9596 -132.8524 558364.7401 6.4206 6.2652 PRESSURE: 989000 -48.3385 97.9491 126.357 97.9495 -165.675 -41.3592 126.357 -41.3603 -151.918 GPRESSURE: 989000 -43.118 116.985 15.1273 44.6069 -95.266 38.3064 177.703 -68.9187 -133.58 PRESSAVG: 989000 -32.8432 11.8213 -21.2175 11.8212 22.7639 -7.97999 -21.2173 -7.97992 8.88501 GPRESSAVG: 989000 -31.6868 10.606 -25.7062 12.7804 21.7891 -8.71844 -21.6698 -9.68814 8.87865 TIMING: 989000 CPU: 2970.54, 0.00304629/step Wall: 2970.54, 0.00304629/step, 3.39407 hours remaining, 209.507812 MB of memory in use. ENERGY: 989000 784.6041 2126.0652 1950.7816 118.1001 -205967.2947 17700.7755 0.0000 0.0000 33896.0826 -149390.8856 296.0229 -183286.9683 -149298.0662 298.6496 -121.9773 -90.6547 557576.0470 -0.3981 -0.3397 PRESSURE: 989200 48.2217 34.1419 37.4977 34.1415 215.558 48.4727 37.4978 48.4731 199.581 GPRESSURE: 989200 85.7463 -15.9382 50.7488 15.0762 290.031 -32.1544 21.5379 144.819 189.775 PRESSAVG: 989200 58.2125 -7.25363 47.9989 -7.2536 0.391746 -5.44789 47.9989 -5.4478 -33.7731 GPRESSAVG: 989200 58.6472 -5.70041 50.4907 -7.7999 1.15162 -7.6782 47.0518 -3.98261 -34.9205 TIMING: 989200 CPU: 2971.14, 0.00303115/step Wall: 2971.14, 0.00303115/step, 3.37703 hours remaining, 209.507812 MB of memory in use. ENERGY: 989200 760.1393 2089.2473 1901.9155 112.4786 -206812.6379 18321.8667 0.0000 0.0000 34184.7300 -149442.2605 298.5437 -183626.9905 -149347.8292 297.6930 154.4533 188.5176 557934.5014 8.2771 8.2928 PRESSURE: 989400 -38.4235 206.842 -6.70812 206.843 -388.713 14.0986 -6.70715 14.099 -290.936 GPRESSURE: 989400 30.9428 201.651 -52.1624 237.14 -364.59 32.5237 61.9563 6.28335 -303.943 PRESSAVG: 989400 -6.98513 15.808 11.7977 15.808 -31.7902 9.57643 11.7978 9.5764 24.7914 GPRESSAVG: 989400 -7.60514 14.8583 12.4069 15.854 -31.2929 9.84847 11.9149 9.57514 24.5821 TIMING: 989400 CPU: 2971.75, 0.00304082/step Wall: 2971.75, 0.00304082/step, 3.38764 hours remaining, 209.507812 MB of memory in use. ENERGY: 989400 742.6456 2146.2791 1928.3547 106.7684 -206273.6008 17649.5690 0.0000 0.0000 34323.1671 -149376.8168 299.7528 -183699.9840 -149283.3027 298.9281 -239.3576 -212.5303 557767.7141 -4.6613 -4.7720 PRESSURE: 989600 304.736 84.9156 -10.0688 84.9157 -314.198 -42.1592 -10.0685 -42.159 -376.043 GPRESSURE: 989600 352.888 133.477 34.8442 43.1609 -257.907 -137.187 55.3886 36.5296 -372.541 PRESSAVG: 989600 0.278081 5.85263 40.1552 5.85266 -10.7673 -27.9714 40.1551 -27.9714 21.4333 GPRESSAVG: 989600 -0.35853 7.34349 38.3232 4.39683 -11.5956 -28.5104 41.9625 -28.0845 22.573 TIMING: 989600 CPU: 2972.35, 0.00300434/step Wall: 2972.35, 0.00300434/step, 3.34684 hours remaining, 209.507812 MB of memory in use. ENERGY: 989600 767.5647 2108.9615 1900.0759 116.7587 -206358.9601 17684.3832 0.0000 0.0000 34165.4505 -149615.7655 298.3754 -183781.2161 -149521.5168 298.7897 -128.5017 -92.5202 558091.3048 3.6480 3.5396 PRESSURE: 989800 3.21837 53.9751 -3.06808 53.9746 -0.0127098 -77.9245 -3.06868 -77.9246 108.678 GPRESSURE: 989800 43.5249 -0.611949 -32.2474 57.1247 77.1888 -12.7951 33.328 -55.0865 91.3785 PRESSAVG: 989800 39.1031 28.0615 12.0467 28.0615 7.54075 -13.361 12.0466 -13.361 15.3585 GPRESSAVG: 989800 37.9216 26.0732 13.2384 28.8775 9.48473 -13.1375 11.594 -12.5101 14.6938 TIMING: 989800 CPU: 2972.95, 0.00300264/step Wall: 2972.95, 0.00300264/step, 3.34477 hours remaining, 209.507812 MB of memory in use. ENERGY: 989800 719.7567 2117.9745 1923.6279 122.3057 -206647.0812 17973.3426 0.0000 0.0000 34052.6163 -149737.4575 297.3900 -183790.0738 -149644.7918 298.3460 37.2944 70.6974 555971.1506 20.6675 20.7000 PRESSURE: 990000 -410.414 29.4996 -55.5379 29.4997 -107.444 3.82766 -55.5387 3.8285 -182.367 GPRESSURE: 990000 -361.799 77.985 -48.9904 -37.9457 -43.2848 51.4589 -36.9857 -75.7777 -207.561 PRESSAVG: 990000 -17.6749 32.902 18.7514 32.9021 11.0646 24.2266 18.7514 24.2268 3.37645 GPRESSAVG: 990000 -16.0706 30.8485 17.5497 33.9109 8.81603 24.6349 18.9409 24.0637 3.71017 TIMING: 990000 CPU: 2973.56, 0.00301843/step Wall: 2973.56, 0.00301843/step, 3.3622 hours remaining, 209.507812 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: 990000 726.8928 2102.6726 1926.0501 109.6964 -206187.9237 17404.0408 0.0000 0.0000 34314.1643 -149604.4067 299.6741 -183918.5710 -149511.8758 298.0400 -233.4085 -204.2147 556097.4538 -1.0779 -1.1815 PRESSURE: 990200 15.4804 99.2661 73.6089 99.2665 -93.2053 32.3174 73.6086 32.3177 -130.304 GPRESSURE: 990200 8.59014 106.948 109.173 57.1922 -46.6375 111.545 24.0437 -57.6603 -74.861 PRESSAVG: 990200 -74.9218 29.5275 6.04987 29.5275 -32.4168 12.8401 6.0498 12.84 110.586 GPRESSAVG: 990200 -75.3788 30.81 7.37544 27.6248 -32.4256 11.7901 4.6316 11.6107 111.415 TIMING: 990200 CPU: 2974.16, 0.00304269/step Wall: 2974.16, 0.00304269/step, 3.38905 hours remaining, 209.507812 MB of memory in use. ENERGY: 990200 728.3836 2150.6653 1917.3640 100.0854 -206805.5469 17899.8306 0.0000 0.0000 34295.1571 -149714.0608 299.5081 -184009.2179 -149618.8210 298.2083 -69.3429 -37.6361 556556.0561 1.0823 1.2036 PRESSURE: 990400 -79.3184 -15.9391 -144.529 -15.9391 105.069 -45.4866 -144.528 -45.4867 -144.748 GPRESSURE: 990400 -34.9416 -49.7479 -167.631 51.969 125.528 9.85274 -126.467 15.114 -125.268 PRESSAVG: 990400 32.1592 11.6167 -47.8204 11.6166 84.7982 -28.7027 -47.8204 -28.7027 -69.526 GPRESSAVG: 990400 32.8578 11.6281 -49.2172 11.7701 85.358 -27.9573 -47.5413 -27.8489 -71.1352 TIMING: 990400 CPU: 2974.77, 0.00303475/step Wall: 2974.77, 0.00303475/step, 3.38003 hours remaining, 209.507812 MB of memory in use. ENERGY: 990400 711.8044 2137.2193 1942.2525 113.8036 -206225.8435 17727.4521 0.0000 0.0000 33897.7824 -149695.5292 296.0378 -183593.3116 -149597.3276 297.6535 -39.6658 -11.5606 556849.7102 15.8104 15.6935 PRESSURE: 990600 -279.132 -68.9587 105.239 -68.9587 -143.594 73.7422 105.239 73.7424 -79.0381 GPRESSURE: 990600 -233.636 -22.3663 94.6789 -102.516 -99.8258 128.956 55.0322 55.0411 -68.3103 PRESSAVG: 990600 -27.9211 20.8249 12.5426 20.825 20.0932 15.7512 12.5426 15.7512 64.5721 GPRESSAVG: 990600 -28.5455 20.0768 14.3609 21.1833 19.9117 15.9321 12.4602 15.4001 65.1902 TIMING: 990600 CPU: 2975.37, 0.00301883/step Wall: 2975.37, 0.00301883/step, 3.36214 hours remaining, 209.507812 MB of memory in use. ENERGY: 990600 742.9909 2051.6700 1905.4566 114.0422 -206093.0631 17598.6774 0.0000 0.0000 34248.4606 -149431.7654 299.1003 -183680.2260 -149332.3877 298.0774 -167.2548 -133.9241 557193.5641 18.9147 18.8521 PRESSURE: 990800 231.157 182.351 75.7918 182.351 -183.941 -69.663 75.7911 -69.6608 -155.522 GPRESSURE: 990800 279.564 212.392 99.9886 167.086 -141.215 -127.278 103.552 24.5721 -157.408 PRESSAVG: 990800 -21.8425 17.3414 -6.08471 17.3414 -46.3078 -20.199 -6.08476 -20.1989 55.9216 GPRESSAVG: 990800 -22.3251 18.1012 -8.34302 16.0419 -46.0285 -21.3143 -4.81115 -19.7755 55.7851 TIMING: 990800 CPU: 2975.98, 0.00302516/step Wall: 2975.98, 0.00302516/step, 3.36902 hours remaining, 209.507812 MB of memory in use. ENERGY: 990800 730.3780 2039.6289 1925.4434 110.3410 -206003.3549 17724.9643 0.0000 0.0000 34105.6280 -149366.9713 297.8529 -183472.5993 -149276.1886 298.7917 -36.1020 -6.3526 557271.7122 -4.0762 -4.1895 PRESSURE: 991000 -144.885 -154.478 209.433 -154.478 -51.1875 -52.0227 209.434 -52.0223 -159.194 GPRESSURE: 991000 -144.38 -276 257.628 -127.948 31.9557 -11.2215 118.924 -169.923 -148.801 PRESSAVG: 991000 -7.09368 6.68944 14.4606 6.6894 -1.90195 -27.1503 14.4607 -27.1504 15.3842 GPRESSAVG: 991000 -5.46392 4.80207 16.6817 9.40543 -1.63468 -24.6644 12.2196 -28.9732 13.4211 TIMING: 991000 CPU: 2976.59, 0.00303868/step Wall: 2976.59, 0.00303868/step, 3.38391 hours remaining, 209.507812 MB of memory in use. ENERGY: 991000 749.0507 2115.8539 1930.0512 104.2775 -206198.4977 17678.3194 0.0000 0.0000 34257.4527 -149363.4923 299.1789 -183620.9450 -149266.3830 298.8876 -118.4220 -87.0751 556780.9862 2.1295 2.1075 PRESSURE: 991200 162.789 -0.97943 43.9826 -0.979779 -21.9626 134.876 43.9818 134.875 -119.09 GPRESSURE: 991200 202.432 -18.1075 52.8261 -106.796 -46.9478 23.1769 18.2558 243.309 -43.4034 PRESSAVG: 991200 9.37044 -14.5328 49.0621 -14.5328 29.4678 34.4619 49.062 34.462 -47.6299 GPRESSAVG: 991200 8.41466 -13.354 46.128 -15.6303 27.6865 34.9707 50.6859 35.0201 -45.006 TIMING: 991200 CPU: 2977.19, 0.00300219/step Wall: 2977.19, 0.00300219/step, 3.34311 hours remaining, 209.507812 MB of memory in use. ENERGY: 991200 735.1998 2077.6339 1918.2853 121.7741 -206223.2389 17654.9519 0.0000 0.0000 34323.0175 -149392.3764 299.7514 -183715.3939 -149296.7383 298.7240 7.2455 37.3603 556913.1097 -2.9305 -2.9683 PRESSURE: 991400 168.491 -128.02 155.146 -128.02 146.848 -119.895 155.145 -119.896 -439.273 GPRESSURE: 991400 197.509 -104.831 251.199 -81.3436 141.947 -121.675 77.537 -132.114 -354.765 PRESSAVG: 991400 57.0316 12.6439 -15.5452 12.6438 49.685 55.4247 -15.5452 55.4247 -72.521 GPRESSAVG: 991400 56.7752 11.9569 -14.1789 13.7719 50.6213 54.4281 -16.0693 55.3714 -72.9344 TIMING: 991400 CPU: 2977.8, 0.00304585/step Wall: 2977.8, 0.00304585/step, 3.39155 hours remaining, 209.507812 MB of memory in use. ENERGY: 991400 727.3986 2109.3675 1919.3242 112.6848 -206388.2898 17888.8139 0.0000 0.0000 34084.1927 -149546.5082 297.6657 -183630.7009 -149453.3155 298.7636 -41.3112 -5.1032 556940.7586 11.3985 11.4874 PRESSURE: 991600 -363.22 -148.834 -225.046 -148.834 -6.75292 6.59511 -225.046 6.59483 -220.578 GPRESSURE: 991600 -311.646 -112.514 -184.654 -200.789 7.96846 40.3045 -167.879 58.269 -188.215 PRESSAVG: 991600 -32.3401 11.1079 36.7952 11.1079 -0.278237 16.3732 36.7953 16.3731 10.7978 GPRESSAVG: 991600 -33.1684 14.0356 34.5692 7.72692 0.523309 14.3992 38.0467 15.4014 10.8025 TIMING: 991600 CPU: 2978.41, 0.00304611/step Wall: 2978.41, 0.00304611/step, 3.39168 hours remaining, 209.507812 MB of memory in use. ENERGY: 991600 777.7129 2020.8504 1942.1451 110.4261 -206590.7761 17878.5800 0.0000 0.0000 34124.3172 -149736.7445 298.0161 -183861.0617 -149638.9379 297.9265 -196.8505 -163.9645 556709.6786 -7.2735 -7.2809 PRESSURE: 991800 -107.17 -52.7099 1.73527 -52.7113 9.74472 8.88495 1.73551 8.88525 22.0739 GPRESSURE: 991800 -89.5292 -29.8288 -23.1785 -84.7735 19.5819 84.9947 -39.7261 -108.305 73.5971 PRESSAVG: 991800 -29.018 -7.09951 -15.0093 -7.09958 -7.44285 -23.9815 -15.0092 -23.9817 12.2054 GPRESSAVG: 991800 -29.5818 -10.1687 -12.5096 -5.07803 -8.1932 -21.7993 -17.6898 -23.5389 12.6786 TIMING: 991800 CPU: 2979.02, 0.00305906/step Wall: 2979.02, 0.00305906/step, 3.40592 hours remaining, 209.507812 MB of memory in use. ENERGY: 991800 718.0863 2113.5597 1924.5271 110.1261 -206609.7654 17927.0210 0.0000 0.0000 34146.7392 -149669.7061 298.2120 -183816.4453 -149571.3862 298.1381 -25.1172 1.2166 558082.5869 -8.0852 -8.3655 PRESSURE: 992000 -51.667 231.382 72.1547 231.381 259.519 -187.29 72.1546 -187.291 52.4212 GPRESSURE: 992000 -4.05635 281.115 80.8374 187.121 292.984 -177.996 145.895 -103.109 61.354 PRESSAVG: 992000 37.5042 12.4257 37.4307 12.4257 49.179 4.76223 37.4308 4.76234 -70.9505 GPRESSAVG: 992000 37.7532 15.495 36.733 10.5656 50.1857 2.81026 39.7771 7.30728 -72.0703 TIMING: 992000 CPU: 2979.62, 0.00302498/step Wall: 2979.62, 0.00302498/step, 3.36781 hours remaining, 209.507812 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: 992000 747.8891 2141.7092 1957.4327 118.7528 -206935.8003 18235.4305 0.0000 0.0000 34139.4631 -149595.1229 298.1484 -183734.5860 -149499.7249 298.1324 86.7578 116.7606 557068.3071 5.2442 5.2895 PRESSURE: 992200 -24.8217 -153.285 -50.969 -153.285 -35.0726 52.7064 -50.9709 52.7048 -408.789 GPRESSURE: 992200 43.0907 -187.431 -24.978 -146.202 -35.7645 23.7532 -98.6143 40.0199 -386.209 PRESSAVG: 992200 -23.5613 -0.887408 -13.3166 -0.887387 14.6615 -16.2573 -13.3166 -16.2572 -2.13397 GPRESSAVG: 992200 -23.1312 -3.8997 -12.0969 1.10175 13.2923 -12.3694 -14.9115 -19.3227 -0.743979 TIMING: 992200 CPU: 2980.23, 0.00302436/step Wall: 2980.23, 0.00302436/step, 3.36695 hours remaining, 209.507812 MB of memory in use. ENERGY: 992200 729.0588 2084.1426 1922.2349 114.6633 -206356.4212 17685.7691 0.0000 0.0000 34202.0273 -149618.5252 298.6948 -183820.5524 -149519.4911 297.6195 -156.2278 -126.2943 559081.7375 -3.6779 -3.5276 LDB: ============= START OF LOAD BALANCING ============== 2983.75 LDB: ============== END OF LOAD BALANCING =============== 2983.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2983.75 LDB: ============= START OF LOAD BALANCING ============== 2984.05 LDB: Largest compute 4800 load 0.026923 is 22.8% of average load 0.117983 LDB: Average compute 0.001724 is 1.5% of average load 0.117983 LDB: TIME 2984.05 LOAD: AVG 0.117983 MAX 0.213229 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.184 MB LDB: TIME 2984.05 LOAD: AVG 0.117983 MAX 0.213229 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.387 MB LDB: TIME 2984.05 LOAD: AVG 0.117983 MAX 0.213229 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.387 MB LDB: ============== END OF LOAD BALANCING =============== 2984.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2984.06 PRESSURE: 992400 -256.765 -17.818 161.255 -17.8178 25.9981 10.7712 161.255 10.7712 -67.9625 GPRESSURE: 992400 -243.103 -101.357 174.214 68.3032 106.373 -95.3211 177.501 -0.821797 -56.4488 PRESSAVG: 992400 -21.2161 -28.9748 32.7328 -28.9748 -19.0472 -16.1761 32.7327 -16.1761 26.3244 GPRESSAVG: 992400 -20.2575 -28.4932 32.1109 -28.1128 -18.5047 -20.7863 32.1239 -13.7008 24.825 TIMING: 992400 CPU: 2980.84, 0.00307215/step Wall: 2980.84, 0.00307215/step, 3.41998 hours remaining, 209.191406 MB of memory in use. ENERGY: 992400 754.7900 2069.4254 1918.9890 119.3999 -206439.7169 17978.3528 0.0000 0.0000 34141.5784 -149457.1814 298.1669 -183598.7598 -149367.5071 298.1726 -99.5766 -64.3928 559318.1312 -4.6463 -4.6458 PRESSURE: 992600 -238.618 0.143508 76.0072 0.144441 -73.8514 102.727 76.0082 102.726 176.645 GPRESSURE: 992600 -122.063 35.1516 51.4465 -5.68331 -106.509 75.8749 100.699 77.7371 184.043 PRESSAVG: 992600 -72.8607 38.117 -8.48429 38.117 31.4808 16.8521 -8.48423 16.8522 68.9915 GPRESSAVG: 992600 -72.0263 41.5196 -7.91686 33.629 30.7209 20.1168 -6.17018 15.5323 69.476 TIMING: 992600 CPU: 2981.45, 0.00303836/step Wall: 2981.45, 0.00303836/step, 3.3822 hours remaining, 209.394531 MB of memory in use. ENERGY: 992600 765.3659 2116.8729 1972.2850 106.2288 -206660.0535 18017.8887 0.0000 0.0000 34129.4863 -149551.9258 298.0613 -183681.4121 -149447.7673 298.6317 -45.2748 -14.8429 557676.5660 9.2038 9.3902 PRESSURE: 992800 -233.05 91.2777 67.7954 91.2774 -348.356 -51.4775 67.7955 -51.4764 -147.089 GPRESSURE: 992800 -208.667 100.288 1.55543 73.9195 -329.798 21.5707 167.417 -117.768 -101.453 PRESSAVG: 992800 -5.79152 8.17013 23.443 8.17017 -20.0913 7.36699 23.4431 7.36695 -30.1496 GPRESSAVG: 992800 -6.56478 6.22297 21.8993 10.1037 -20.3083 6.64962 22.8341 7.22736 -29.0001 TIMING: 992800 CPU: 2982.06, 0.00304974/step Wall: 2982.06, 0.00304974/step, 3.3947 hours remaining, 209.394531 MB of memory in use. ENERGY: 992800 750.2603 2099.5993 1936.6734 113.8078 -206247.1140 17500.8969 0.0000 0.0000 34178.3725 -149667.5037 298.4882 -183845.8762 -149568.5335 298.2989 -242.8319 -213.3060 558785.5805 -18.6775 -18.6244 PRESSURE: 993000 246.39 -191.096 -16.6437 -191.095 5.5725 14.8506 -16.6447 14.8515 356.539 GPRESSURE: 993000 196.813 -188.811 14.5237 -227.375 81.8894 11.4611 -34.8393 14.5148 416.364 PRESSAVG: 993000 -1.89616 -2.63666 -44.5205 -2.6366 -40.708 46.0537 -44.5205 46.0536 71.91 GPRESSAVG: 993000 -2.62436 -2.66611 -41.6789 -3.47333 -39.3879 44.4987 -46.1562 47.5563 70.9166 TIMING: 993000 CPU: 2982.67, 0.00304073/step Wall: 2982.67, 0.00304073/step, 3.38451 hours remaining, 209.394531 MB of memory in use. ENERGY: 993000 764.3017 2101.6246 1949.5818 103.0601 -206521.2745 18106.8845 0.0000 0.0000 34098.4887 -149397.3331 297.7906 -183495.8219 -149298.9258 298.3401 202.8338 231.6889 557009.9049 9.7686 9.6348 PRESSURE: 993200 -219.008 120.136 14.5115 120.135 -83.7912 -53.196 14.5119 -53.1951 -154.761 GPRESSURE: 993200 -216.069 201.227 -39.8705 62.9168 -8.03385 -90.9416 8.73716 -101.243 -127.949 PRESSAVG: 993200 -15.7729 29.4928 -50.8803 29.4928 -29.105 -1.51412 -50.8804 -1.5139 44.2329 GPRESSAVG: 993200 -14.9424 29.8353 -51.8949 30.6221 -30.4492 1.09109 -50.68 -2.9976 44.4355 TIMING: 993200 CPU: 2983.28, 0.00305138/step Wall: 2983.28, 0.00305138/step, 3.39619 hours remaining, 209.394531 MB of memory in use. ENERGY: 993200 770.9354 2113.6839 1928.5759 117.0965 -206303.9075 17619.6360 0.0000 0.0000 34330.3268 -149423.6530 299.8153 -183753.9798 -149327.0348 299.1747 -152.5202 -117.3504 556750.6563 -0.2150 -0.3187 PRESSURE: 993400 -92.8651 108.223 -74.499 108.225 -78.0175 55.1789 -74.4982 55.1783 -109.129 GPRESSURE: 993400 -40.8305 147.969 -43.5994 51.7445 -27.8542 55.3659 -124.786 36.6574 -106.471 PRESSAVG: 993400 -0.449439 38.5669 -31.1985 38.567 -11.2131 1.20455 -31.1984 1.20446 -41.0751 GPRESSAVG: 993400 -0.493661 41.2924 -32.9446 37.8063 -11.5429 2.84548 -29.4304 0.725837 -40.6991 TIMING: 993400 CPU: 2983.88, 0.00303077/step Wall: 2983.88, 0.00303077/step, 3.37308 hours remaining, 209.394531 MB of memory in use. ENERGY: 993400 723.8828 2065.6712 1924.1459 122.5405 -206306.0961 17787.5799 0.0000 0.0000 34209.2024 -149473.0735 298.7575 -183682.2758 -149372.0734 298.5701 -93.3372 -58.3853 556653.6962 -17.5792 -17.5785 PRESSURE: 993600 99.8687 -90.2466 -143.437 -90.2446 33.0124 36.2587 -143.437 36.2595 278.099 GPRESSURE: 993600 180.523 17.7823 -67.2865 -100.199 26.7056 -35.3423 -98.2036 84.6554 318.33 PRESSAVG: 993600 6.10386 18.7543 -11.955 18.7542 -45.2019 -53.9515 -11.9551 -53.9516 37.2293 GPRESSAVG: 993600 6.4191 16.5586 -10.9697 19.4787 -44.5132 -55.3999 -12.652 -53.5774 36.6093 TIMING: 993600 CPU: 2984.49, 0.00304856/step Wall: 2984.49, 0.00304856/step, 3.39271 hours remaining, 209.394531 MB of memory in use. ENERGY: 993600 710.7890 2087.1597 1938.7321 120.0028 -206437.6958 17933.5629 0.0000 0.0000 34389.9681 -149257.4811 300.3361 -183647.4492 -149159.0100 299.2365 136.9932 175.1862 557121.2087 -0.6229 -0.4949 PRESSURE: 993800 -5.75224 -63.9333 293.416 -63.9344 0.137447 -2.61824 293.415 -2.61791 -2.32287 GPRESSURE: 993800 55.6143 -72.4909 284.92 -77.4331 -20.0082 -83.6841 218.709 -19.8022 53.0578 PRESSAVG: 993800 58.3273 13.9918 52.3685 13.9919 -0.491276 -2.91288 52.3685 -2.91295 -14.2516 GPRESSAVG: 993800 58.2258 14.9406 52.7283 14.1206 -0.876268 -3.8247 52.1356 -2.60891 -14.2606 TIMING: 993800 CPU: 2985.1, 0.00303178/step Wall: 2985.1, 0.00303177/step, 3.37386 hours remaining, 209.394531 MB of memory in use. ENERGY: 993800 761.2413 2098.0828 1925.6368 119.2971 -206198.8611 17810.9375 0.0000 0.0000 34142.7189 -149340.9466 298.1769 -183483.6655 -149256.5642 299.6223 -2.6459 29.5546 557133.2441 14.5281 14.3630 PRESSURE: 994000 11.766 -43.0778 96.6388 -43.0777 -69.2553 5.80864 96.6387 5.80913 -180.162 GPRESSURE: 994000 33.4367 24.1637 102.629 -128.4 -35.8447 36.6654 45.1786 -1.10451 -131.927 PRESSAVG: 994000 -37.9251 14.5361 79.7257 14.5361 -27.1232 33.0061 79.7257 33.006 42.6258 GPRESSAVG: 994000 -37.753 14.6536 79.7735 17.0577 -27.7645 33.9812 80.4783 32.0713 43.0101 TIMING: 994000 CPU: 2985.7, 0.00300617/step Wall: 2985.7, 0.00300617/step, 3.3452 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: 994000 762.8660 2081.2651 1917.8881 108.3433 -206253.5186 17779.8602 0.0000 0.0000 34395.9241 -149207.3717 300.3882 -183603.2959 -149102.3451 299.6634 -79.2170 -44.7784 556642.5758 -7.4742 -7.5025 PRESSURE: 994200 35.1265 123.689 41.06 123.688 15.3805 177.385 41.0602 177.384 -128.03 GPRESSURE: 994200 65.0225 104.03 60.9551 73.0823 78.2699 157.929 69.2587 192.555 -124.14 PRESSAVG: 994200 -0.204366 33.6219 31.6705 33.6218 36.2154 25.8041 31.6704 25.8041 -19.1433 GPRESSAVG: 994200 -0.848514 32.2386 31.2772 32.4244 38.0365 26.0568 32.9528 24.0682 -19.5871 TIMING: 994200 CPU: 2986.31, 0.00301654/step Wall: 2986.31, 0.00301654/step, 3.35657 hours remaining, 209.394531 MB of memory in use. ENERGY: 994200 745.6450 2019.7151 1891.0247 107.2639 -206180.8884 17727.8682 0.0000 0.0000 34530.0286 -149159.3429 301.5593 -183689.3715 -149057.3329 299.4092 -25.8411 6.3843 556284.6052 5.6226 5.8670 PRESSURE: 994400 -513.014 107.86 -51.2788 107.859 -228.376 7.79837 -51.2774 7.79879 199.833 GPRESSURE: 994400 -398.473 195.648 -157.155 102.084 -247.889 25.6212 23.8599 36.7513 214.86 PRESSAVG: 994400 107.912 69.055 29.5281 69.0549 -93.6636 37.8926 29.5281 37.8925 6.32556 GPRESSAVG: 994400 108.68 69.033 28.9394 67.6989 -93.7749 37.0423 27.6636 39.8327 5.8932 TIMING: 994400 CPU: 2986.91, 0.00300466/step Wall: 2986.91, 0.00300466/step, 3.34319 hours remaining, 209.394531 MB of memory in use. ENERGY: 994400 800.0204 2119.7153 1918.3403 97.3177 -205809.5650 17596.8401 0.0000 0.0000 34267.7122 -149009.6190 299.2685 -183277.3312 -148916.1590 299.3619 -180.5190 -143.8339 558399.0681 6.8581 6.9327 PRESSURE: 994600 -135.022 -33.9105 -9.69139 -33.9109 248.037 -27.3223 -9.69174 -27.3232 -68.1561 GPRESSURE: 994600 -71.4887 4.2943 -5.68637 -125.513 282.858 -8.29858 -53.4115 -23.1868 -65.392 PRESSAVG: 994600 25.5731 49.7883 54.2835 49.7882 -16.753 24.155 54.2835 24.155 -32.3984 GPRESSAVG: 994600 25.0094 50.1212 56.6029 50.8442 -17.4936 23.647 52.7052 23.2183 -31.3267 TIMING: 994600 CPU: 2987.51, 0.0030234/step Wall: 2987.51, 0.0030234/step, 3.36387 hours remaining, 209.394531 MB of memory in use. ENERGY: 994600 753.3752 2098.9914 1907.1500 115.8543 -206471.1764 17913.7027 0.0000 0.0000 34379.0849 -149303.0179 300.2411 -183682.1029 -149206.8456 299.3275 14.9530 48.6590 557643.8343 -7.8594 -7.9370 PRESSURE: 994800 -45.3393 8.82809 -13.7676 8.82822 -105.291 -50.9172 -13.7666 -50.9177 -94.8174 GPRESSURE: 994800 -48.0573 117.235 19.8822 -57.5328 -28.0541 -68.1303 -5.89826 1.90286 -68.6385 PRESSAVG: 994800 33.1081 20.2325 46.9172 20.2323 62.3359 19.2286 46.9172 19.2287 -89.1105 GPRESSAVG: 994800 33.5652 19.7452 46.4651 18.9415 62.1351 19.5948 47.9363 20.5076 -89.1695 TIMING: 994800 CPU: 2988.12, 0.00302812/step Wall: 2988.12, 0.00302812/step, 3.36895 hours remaining, 209.394531 MB of memory in use. ENERGY: 994800 791.7381 2065.6895 1907.2378 101.4374 -206358.2230 17848.5491 0.0000 0.0000 34253.5113 -149390.0597 299.1444 -183643.5711 -149284.8859 299.0480 -81.8160 -48.2500 559008.7709 2.1112 2.1769 PRESSURE: 995000 128.243 -17.4563 182.777 -17.457 -71.3161 16.2242 182.777 16.2236 23.2537 GPRESSURE: 995000 169.488 -48.6044 159.621 -15.8206 -30.6991 -9.10345 231.141 61.3831 54.2439 PRESSAVG: 995000 100.349 25.6192 -31.6484 25.6193 -60.7935 -35.4494 -31.6483 -35.4494 -71.7823 GPRESSAVG: 995000 100.424 25.3136 -33.4966 26.9443 -60.8826 -36.5264 -31.4105 -35.6654 -71.8555 TIMING: 995000 CPU: 2988.73, 0.0030477/step Wall: 2988.73, 0.0030477/step, 3.39056 hours remaining, 209.394531 MB of memory in use. ENERGY: 995000 747.7111 2081.5444 1948.7090 113.7615 -206587.9092 18091.3088 0.0000 0.0000 34236.2628 -149368.6116 298.9938 -183604.8744 -149267.5362 298.9237 26.7270 64.3444 557695.9595 -10.7423 -10.7714 PRESSURE: 995200 150.033 151.424 -165.937 151.425 216.107 -87.5376 -165.938 -87.5381 -34.7027 GPRESSURE: 995200 222.845 97.9407 -113.003 112.294 193.617 -6.22912 -244.302 -60.2364 17.3594 PRESSAVG: 995200 21.6488 -23.7425 51.013 -23.7425 32.5837 10.9553 51.0129 10.9553 6.04561 GPRESSAVG: 995200 22.9262 -22.6193 52.3125 -23.3682 31.2898 12.3258 51.0634 10.2394 5.89422 TIMING: 995200 CPU: 2989.34, 0.00305956/step Wall: 2989.34, 0.00305956/step, 3.40359 hours remaining, 209.394531 MB of memory in use. ENERGY: 995200 739.4789 2098.3166 1930.8807 125.2153 -206522.6296 17987.8895 0.0000 0.0000 34376.6360 -149264.2126 300.2197 -183640.8486 -149168.5422 299.6020 110.4788 144.6068 556747.0349 20.0927 20.0367 PRESSURE: 995400 -206.951 115.259 -50.9102 115.259 -154.647 -49.4008 -50.9102 -49.4 -369.936 GPRESSURE: 995400 -236.106 66.1925 -42.8714 110.827 -111.394 -86.0299 -30.6735 1.29294 -285.404 PRESSAVG: 995400 19.7789 12.478 -16.8554 12.4781 1.97612 -3.37116 -16.8553 -3.37116 9.21154 GPRESSAVG: 995400 18.7584 10.7169 -16.1194 13.602 3.4616 -4.03016 -17.9206 -2.9552 9.00381 TIMING: 995400 CPU: 2989.94, 0.00303356/step Wall: 2989.94, 0.00303356/step, 3.3745 hours remaining, 209.394531 MB of memory in use. ENERGY: 995400 732.1321 2107.1464 1948.6648 107.8276 -205778.1314 17387.0223 0.0000 0.0000 34175.6563 -149319.6819 298.4645 -183495.3382 -149230.7150 299.3170 -243.8445 -210.9680 556963.8146 10.3222 10.4079 PRESSURE: 995600 -270.66 21.8494 -55.3189 21.8498 19.2878 50.8652 -55.3198 50.8618 -8.72403 GPRESSURE: 995600 -192.61 34.2352 -19.295 73.625 37.923 63.3025 -23.1395 80.7794 -5.96999 PRESSAVG: 995600 43.9409 29.5908 -10.3895 29.5909 39.5073 -54.9897 -10.3894 -54.9897 -47.5878 GPRESSAVG: 995600 42.3861 31.7278 -10.6886 29.567 39.6875 -56.8388 -8.74289 -52.4426 -46.4196 TIMING: 995600 CPU: 2990.55, 0.0030312/step Wall: 2990.55, 0.0030312/step, 3.3717 hours remaining, 209.394531 MB of memory in use. ENERGY: 995600 742.4475 2102.7549 1933.3095 101.5109 -206162.0622 17781.7328 0.0000 0.0000 34293.6761 -149206.6304 299.4952 -183500.3066 -149113.8169 298.5336 -86.6988 -53.5525 558274.0760 11.9535 11.8846 PRESSURE: 995800 -181.012 -75.0382 -111.285 -75.0375 -305.332 72.8206 -111.286 72.8214 -189.519 GPRESSURE: 995800 -142.928 -127.316 -93.7997 -36.7653 -295.811 94.4385 -176.315 70.3039 -145.798 PRESSAVG: 995800 -23.0652 -21.8541 -55.6691 -21.8541 14.889 33.005 -55.6691 33.0049 4.8548 GPRESSAVG: 995800 -22.3223 -20.3463 -54.3012 -24.1193 15.5908 34.8733 -55.4816 30.7652 3.09733 TIMING: 995800 CPU: 2991.16, 0.00302363/step Wall: 2991.16, 0.00302363/step, 3.36312 hours remaining, 209.394531 MB of memory in use. ENERGY: 995800 742.4703 2073.3576 1954.8557 109.3344 -205754.0143 17494.8911 0.0000 0.0000 34184.3264 -149194.7788 298.5402 -183379.1053 -149095.7179 299.5201 -225.2879 -194.8459 558775.9041 -1.1071 -1.2114 PRESSURE: 996000 118.535 -66.1788 68.6658 -66.1784 -26.924 132.569 68.666 132.57 72.2887 GPRESSURE: 996000 59.6632 -56.712 35.678 -57.0419 46.2713 154.327 50.2813 122.91 142.653 PRESSAVG: 996000 -56.6192 -14.2335 -46.6122 -14.2335 7.23884 -32.5918 -46.6122 -32.5916 -6.77531 GPRESSAVG: 996000 -56.7887 -15.7098 -49.1494 -13.623 5.504 -33.8969 -47.0566 -31.3647 -4.70997 TIMING: 996000 CPU: 2991.76, 0.00302311/step Wall: 2991.76, 0.00302311/step, 3.36237 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: 996000 762.6578 2080.3602 1937.6555 112.1032 -206316.8477 17760.3752 0.0000 0.0000 34491.3283 -149172.3676 301.2213 -183663.6959 -149078.1014 299.3633 54.6332 82.8624 555654.1285 -18.7186 -18.6649 PRESSURE: 996200 -181.403 -3.09518 -133.648 -3.09594 -343.896 46.4209 -133.648 46.4222 -345.398 GPRESSURE: 996200 -180.733 -71.7281 -87.3914 138.281 -282.294 102.317 -171.775 31.2772 -311.747 PRESSAVG: 996200 10.9975 -0.945556 -20.595 -0.945439 -4.3702 -2.33962 -20.5951 -2.33955 -30.1958 GPRESSAVG: 996200 11.1053 -1.68838 -19.7523 0.0504463 -3.20846 -0.6214 -20.0649 -4.04926 -31.0739 TIMING: 996200 CPU: 2992.36, 0.00300029/step Wall: 2992.36, 0.00300029/step, 3.33683 hours remaining, 209.394531 MB of memory in use. ENERGY: 996200 766.0852 2085.5160 1918.8148 123.8090 -205312.9223 17208.9718 0.0000 0.0000 34103.5138 -149106.2118 297.8345 -183209.7255 -149012.1671 299.7757 -290.2326 -258.2578 557584.4923 -7.8561 -7.7257 LDB: ============= START OF LOAD BALANCING ============== 2995.88 LDB: ============== END OF LOAD BALANCING =============== 2995.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2995.88 LDB: ============= START OF LOAD BALANCING ============== 2996.18 LDB: Largest compute 4800 load 0.025689 is 21.8% of average load 0.117839 LDB: Average compute 0.001730 is 1.5% of average load 0.117839 LDB: TIME 2996.19 LOAD: AVG 0.117839 MAX 0.212626 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.16 MB LDB: TIME 2996.19 LOAD: AVG 0.117839 MAX 0.212626 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.227 MB LDB: TIME 2996.19 LOAD: AVG 0.117839 MAX 0.212626 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.227 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2996.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2996.19 PRESSURE: 996400 -150.408 -21.7585 104.336 -21.7586 12.8402 -160.663 104.337 -160.662 -58.759 GPRESSURE: 996400 -88.0059 11.1216 156.345 30.3669 28.2638 -147.539 72.7852 -43.2872 -31.1906 PRESSAVG: 996400 -6.26855 -31.6922 -42.6636 -31.6923 -0.100387 31.2162 -42.6635 31.2163 19.9022 GPRESSAVG: 996400 -5.4505 -31.7672 -42.5112 -31.7126 -1.58355 31.6939 -41.4259 31.5642 20.506 TIMING: 996400 CPU: 2992.98, 0.00308458/step Wall: 2992.98, 0.00308458/step, 3.43039 hours remaining, 207.894531 MB of memory in use. ENERGY: 996400 748.5150 2113.6153 1931.2986 111.7052 -206434.4740 17685.1037 0.0000 0.0000 34626.8975 -149217.3387 302.4053 -183844.2362 -149114.7343 299.7647 -65.4422 -30.3109 556341.7525 4.5111 4.4907 PRESSURE: 996600 -220.447 87.8635 110.941 87.8639 -44.9172 43.8874 110.94 43.8864 -257.99 GPRESSURE: 996600 -156.82 84.852 147.424 154.717 -37.528 69.8108 55.4548 37.0013 -229.095 PRESSAVG: 996600 9.93835 34.8773 44.3797 34.8773 21.0936 -46.8986 44.3797 -46.8985 -21.5257 GPRESSAVG: 996600 9.88383 37.131 43.1731 34.0016 21.2143 -46.7923 42.9757 -48.1795 -21.5413 TIMING: 996600 CPU: 2993.59, 0.00304735/step Wall: 2993.59, 0.00304735/step, 3.38882 hours remaining, 208.097656 MB of memory in use. ENERGY: 996600 738.3694 2093.7665 1957.8658 128.7015 -205899.7426 17553.2347 0.0000 0.0000 34251.9770 -149175.8277 299.1310 -183427.8046 -149078.1212 300.3979 -174.4514 -141.1476 557162.9207 3.1687 3.1856 PRESSURE: 996800 -136.998 -54.2498 128.956 -54.2504 -39.4127 39.9708 128.955 39.9723 -40.5854 GPRESSURE: 996800 -98.0845 -152.35 154.829 17.7544 -11.2552 16.6477 120.849 25.8716 -5.91733 PRESSAVG: 996800 -1.23607 -7.44991 30.3821 -7.45 11.1095 21.3785 30.382 21.3786 -60.6039 GPRESSAVG: 996800 -2.02738 -8.60784 31.8992 -7.33887 12.0888 20.7588 30.5647 23.416 -60.8463 TIMING: 996800 CPU: 2994.19, 0.00301626/step Wall: 2994.19, 0.00301626/step, 3.35409 hours remaining, 208.097656 MB of memory in use. ENERGY: 996800 750.4259 2095.5182 1944.1806 114.1142 -206064.9926 17613.6358 0.0000 0.0000 34490.3266 -149056.7913 301.2126 -183547.1179 -148956.5622 299.7719 -72.3320 -38.4190 557017.7870 -16.9102 -16.9283 PRESSURE: 997000 -86.5559 -12.3724 -102.573 -12.3729 -190.308 -83.7065 -102.573 -83.7064 -4.6001 GPRESSURE: 997000 -62.3447 -34.0649 -101.36 -10.8017 -139.545 -108.254 -81.3255 -150.07 45.0794 PRESSAVG: 997000 30.3204 18.6986 33.7546 18.6986 -21.6827 9.95339 33.7545 9.95353 -5.32505 GPRESSAVG: 997000 30.0838 17.7657 30.8939 18.1544 -21.4599 10.8562 33.4549 8.18217 -5.28274 TIMING: 997000 CPU: 2994.8, 0.00302907/step Wall: 2994.8, 0.00302907/step, 3.36816 hours remaining, 208.097656 MB of memory in use. ENERGY: 997000 753.7759 2038.7870 1884.8059 102.1900 -205800.4074 17520.4554 0.0000 0.0000 34417.0796 -149083.3136 300.5729 -183500.3932 -148984.0330 300.7095 -93.8214 -52.2701 556603.4803 1.1042 1.1137 PRESSURE: 997200 130.045 -115.159 96.4438 -115.159 248.888 60.4412 96.4436 60.4413 -0.850674 GPRESSURE: 997200 120.124 -58.2734 133.345 -142.894 295.639 16.1963 60.9528 59.1585 70.5643 PRESSAVG: 997200 19.6247 -6.17877 -20.0591 -6.17871 25.4462 36.9557 -20.059 36.9558 -37.0041 GPRESSAVG: 997200 19.833 -6.03838 -17.8059 -5.4231 25.8819 36.2862 -19.8455 39.1878 -37.3337 TIMING: 997200 CPU: 2995.4, 0.00302588/step Wall: 2995.4, 0.00302588/step, 3.36444 hours remaining, 208.097656 MB of memory in use. ENERGY: 997200 738.3592 2050.8312 1938.3385 112.7681 -206378.1361 18067.3898 0.0000 0.0000 34179.3571 -149291.0921 298.4968 -183470.4492 -149188.8783 299.3963 126.0276 162.1090 557227.3980 2.6889 2.7937 PRESSURE: 997400 -150.113 -5.22912 20.97 -5.22963 -62.0813 79.3072 20.9696 79.3071 72.7182 GPRESSURE: 997400 -106.764 -17.251 -13.4226 -5.9477 -57.1631 55.2812 63.869 138.046 123.335 PRESSAVG: 997400 32.9124 -29.4129 2.41254 -29.413 15.3308 6.43249 2.41262 6.4324 9.87685 GPRESSAVG: 997400 33.6359 -28.7797 0.748256 -29.4147 14.238 5.47406 3.99554 6.48328 10.2656 TIMING: 997400 CPU: 2996, 0.00300858/step Wall: 2996, 0.00300858/step, 3.34504 hours remaining, 208.097656 MB of memory in use. ENERGY: 997400 712.4502 2082.8386 1939.7955 116.8223 -206011.3101 17687.8597 0.0000 0.0000 34181.6173 -149289.9265 298.5166 -183471.5438 -149185.9289 299.3719 -46.4919 -13.5307 557251.7888 19.3733 19.3798 PRESSURE: 997600 -141.144 -84.7967 -98.339 -84.7958 -185.708 -23.147 -98.3399 -23.1479 21.7026 GPRESSURE: 997600 -135.336 -50.2979 -101.248 -106.816 -78.7979 -59.8223 -91.6238 -11.771 18.5618 PRESSAVG: 997600 -54.8164 -14.808 -1.08699 -14.808 41.4897 -103.449 -1.0869 -103.449 -6.16933 GPRESSAVG: 997600 -54.9913 -16.1151 -1.88713 -14.6179 42.5954 -103.316 0.849913 -103.09 -6.94598 TIMING: 997600 CPU: 2996.61, 0.0030308/step Wall: 2996.61, 0.0030308/step, 3.36958 hours remaining, 208.097656 MB of memory in use. ENERGY: 997600 753.5018 2064.4432 1953.5431 109.7628 -206048.9647 17670.2858 0.0000 0.0000 34232.3069 -149265.1211 298.9593 -183497.4280 -149158.8960 299.1686 -101.7167 -65.1908 557943.5587 -6.4987 -6.4473 PRESSURE: 997800 126.173 74.8619 119.914 74.8634 -50.4105 50.6335 119.915 50.632 11.497 GPRESSURE: 997800 159.059 92.7536 63.6915 64.0127 -36.477 47.118 120.811 35.9223 73.2274 PRESSAVG: 997800 72.7433 -23.8854 5.45903 -23.8854 -71.7296 -30.5705 5.45917 -30.5705 47.4874 GPRESSAVG: 997800 72.5986 -23.0446 3.8354 -23.9705 -71.3433 -29.718 3.50754 -32.4847 47.3496 TIMING: 997800 CPU: 2997.21, 0.00300808/step Wall: 2997.21, 0.00300808/step, 3.34414 hours remaining, 208.097656 MB of memory in use. ENERGY: 997800 752.5309 2029.4293 1945.5475 108.3018 -206349.3383 17893.8841 0.0000 0.0000 34268.9960 -149350.6488 299.2797 -183619.6448 -149264.7950 298.9937 29.0867 65.2698 557809.0688 16.1670 16.2016 PRESSURE: 998000 292.542 111.621 188.253 111.622 7.38341 -2.7977 188.253 -2.7971 95.4744 GPRESSURE: 998000 333.861 83.6515 170.216 115.584 30.4295 58.756 185.963 19.0035 127.872 PRESSAVG: 998000 23.5215 12.8967 19.3383 12.8967 -64.6303 6.33548 19.3383 6.33553 54.9557 GPRESSAVG: 998000 23.516 12.7397 22.5695 11.2415 -65.4773 6.18449 17.7013 7.70144 55.7423 TIMING: 998000 CPU: 2997.81, 0.00301049/step Wall: 2997.81, 0.00301049/step, 3.34666 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: 998000 742.2491 2094.6488 1989.5225 121.8818 -206727.7173 18284.2965 0.0000 0.0000 34070.0885 -149425.0302 297.5426 -183495.1187 -149338.0538 299.0929 131.7998 164.0542 556778.5621 4.6156 4.5937 PRESSURE: 998200 19.1461 2.02586 -227.762 2.02607 12.6137 -32.2349 -227.763 -32.2348 -158.519 GPRESSURE: 998200 8.29264 78.0377 -226.268 22.0635 53.5268 -5.7529 -235.386 -31.2009 -83.7281 PRESSAVG: 998200 4.00085 -3.50131 9.16818 -3.50138 21.9524 -23.915 9.16829 -23.915 -29.7705 GPRESSAVG: 998200 4.01442 -2.10201 8.38794 -2.46948 22.4548 -22.7596 8.6791 -21.1962 -30.1419 TIMING: 998200 CPU: 2998.42, 0.00301764/step Wall: 2998.42, 0.00301764/step, 3.35444 hours remaining, 208.097656 MB of memory in use. ENERGY: 998200 772.6165 2037.1035 1924.4362 114.9303 -206313.8367 17778.1967 0.0000 0.0000 34317.7794 -149368.7742 299.7057 -183686.5536 -149272.1715 298.8666 -42.2531 -7.3029 557865.0360 -1.2724 -1.2242 PRESSURE: 998400 -159.404 -80.6766 -139.609 -80.6768 -168.544 -4.04717 -139.609 -4.045 -218.759 GPRESSURE: 998400 -93.1249 -47.9685 -122.821 -41.7958 -190.342 32.9403 -204.043 -12.3501 -179.453 PRESSAVG: 998400 -19.4572 9.77038 -19.2564 9.7705 63.1637 -16.1205 -19.2563 -16.1206 -38.6049 GPRESSAVG: 998400 -20.5545 8.04198 -20.1697 9.25678 64.4198 -14.8279 -18.8668 -21.3952 -39.3198 TIMING: 998400 CPU: 2999.03, 0.00306712/step Wall: 2999.03, 0.00306712/step, 3.40928 hours remaining, 208.097656 MB of memory in use. ENERGY: 998400 731.2512 2073.5863 1926.5737 107.4614 -206340.8802 17680.7134 0.0000 0.0000 34171.0099 -149650.2842 298.4239 -183821.2941 -149547.7133 298.2572 -182.2356 -154.3068 557978.5716 1.7005 1.5152 PRESSURE: 998600 179.622 -16.6624 -18.5291 -16.6627 -128.809 -38.1755 -18.5284 -38.1767 186.163 GPRESSURE: 998600 256.009 -48.2595 -13.3376 55.8034 -88.0485 -8.80703 -78.5403 -69.2408 171.298 PRESSAVG: 998600 53.9335 57.9953 -20.1886 57.9953 33.9417 3.4186 -20.1887 3.41862 -84.3535 GPRESSAVG: 998600 53.4282 57.775 -21.4881 57.7032 33.2542 0.50141 -18.0185 5.45355 -83.0958 TIMING: 998600 CPU: 2999.65, 0.00308281/step Wall: 2999.65, 0.00308281/step, 3.42654 hours remaining, 208.097656 MB of memory in use. ENERGY: 998600 750.6829 2053.6548 1933.9396 104.2616 -206573.7270 18013.8674 0.0000 0.0000 34219.8008 -149497.5200 298.8500 -183717.3208 -149400.7622 297.7985 78.9920 113.0861 557837.4040 1.1739 1.1955 PRESSURE: 998800 136.055 76.9539 2.66135 76.9546 86.9757 -129.251 2.65933 -129.251 -88.423 GPRESSURE: 998800 161.354 96.9181 96.1058 43.9245 122.248 -112.384 -0.0390243 -158.653 -51.4822 PRESSAVG: 998800 88.9393 53.9709 8.34676 53.971 44.1251 -33.5872 8.34669 -33.5872 -90.2529 GPRESSAVG: 998800 89.7071 54.2212 11.0128 54.3453 42.1946 -31.7601 5.88059 -34.2028 -89.6884 TIMING: 998800 CPU: 3000.25, 0.00303172/step Wall: 3000.25, 0.00303172/step, 3.36959 hours remaining, 208.097656 MB of memory in use. ENERGY: 998800 758.7057 2072.6373 1921.5550 100.7765 -206749.5264 18051.2583 0.0000 0.0000 34220.1465 -149624.4472 298.8531 -183844.5936 -149527.1090 298.1170 44.8692 77.3733 557630.7969 14.2705 14.0711 PRESSURE: 999000 -4.00562 104.818 44.7081 104.818 94.7132 -70.9964 44.7077 -70.9973 -184.705 GPRESSURE: 999000 32.9315 76.2842 95.3054 129.815 91.7332 -76.7318 43.1021 -55.5452 -110.86 PRESSAVG: 999000 28.1604 -37.266 -38.2436 -37.2661 -6.70761 -36.4617 -38.2436 -36.4617 -77.8838 GPRESSAVG: 999000 27.5724 -36.5191 -40.4827 -35.8125 -4.46914 -38.5423 -39.6887 -34.9986 -79.6392 TIMING: 999000 CPU: 3000.86, 0.00302392/step Wall: 3000.86, 0.00302392/step, 3.36075 hours remaining, 208.097656 MB of memory in use. ENERGY: 999000 692.4562 2063.7882 1932.9215 114.4629 -206165.7669 17660.4510 0.0000 0.0000 34135.8548 -149565.8321 298.1169 -183701.6870 -149479.5171 297.7524 -31.3326 4.6016 556940.0799 -18.8103 -18.8453 PRESSURE: 999200 -157.634 -108.712 -192.739 -108.712 -194.585 67.5752 -192.74 67.5746 34.1604 GPRESSURE: 999200 -120.854 -132.573 -216.866 -141.664 -169.455 67.9308 -225.717 76.4428 81.9677 PRESSAVG: 999200 6.62861 -27.0565 -6.91624 -27.0565 32.8408 0.728021 -6.91628 0.727901 8.76555 GPRESSAVG: 999200 7.49912 -27.4929 -4.94787 -28.563 31.1061 1.11555 -5.02818 0.314623 10.1855 TIMING: 999200 CPU: 3001.46, 0.0029929/step Wall: 3001.46, 0.0029929/step, 3.32611 hours remaining, 208.097656 MB of memory in use. ENERGY: 999200 733.2054 2093.8091 1926.8493 110.5766 -206307.4827 17742.4073 0.0000 0.0000 34032.6488 -149667.9862 297.2156 -183700.6350 -149570.0917 298.7301 -106.0195 -69.4472 557321.9840 16.0783 16.2636 PRESSURE: 999400 123.876 -82.2094 -24.7787 -82.2102 46.783 62.6271 -24.7785 62.6284 147.154 GPRESSURE: 999400 149.627 -95.3557 -83.2135 -18.9639 74.7561 44.0287 -32.939 52.6145 182.606 PRESSAVG: 999400 18.8334 -50.0863 -0.650837 -50.0863 -99.7878 55.0525 -0.650751 55.0524 41.4201 GPRESSAVG: 999400 18.5412 -50.0947 -0.97662 -48.8635 -98.9696 55.7975 -2.3031 55.601 40.4621 TIMING: 999400 CPU: 3002.06, 0.00301363/step Wall: 3002.06, 0.00301363/step, 3.34898 hours remaining, 208.097656 MB of memory in use. ENERGY: 999400 712.4748 2062.0424 1919.2756 128.5494 -206536.7284 17949.4699 0.0000 0.0000 34201.2792 -149563.6371 298.6883 -183764.9163 -149465.8513 298.2732 105.9374 135.6631 557438.5546 -13.1781 -13.3221 PRESSURE: 999600 -166.232 -142.628 -96.6147 -142.628 -174.45 108.458 -96.6151 108.459 -273.076 GPRESSURE: 999600 -200.055 -172.169 -57.2943 -95.7116 -134.565 97.6278 -193.063 162.527 -186.546 PRESSAVG: 999600 -37.842 -22.3993 19.9641 -22.3993 -11.0115 23.9284 19.9641 23.9283 81.2636 GPRESSAVG: 999600 -38.2321 -26.5737 18.812 -20.1713 -10.1912 23.7452 21.8132 23.6715 81.005 TIMING: 999600 CPU: 3002.66, 0.00301453/step Wall: 3002.66, 0.00301453/step, 3.34982 hours remaining, 208.097656 MB of memory in use. ENERGY: 999600 743.2720 2065.5927 1943.1374 108.9189 -206413.1957 17848.9753 0.0000 0.0000 34124.3583 -149578.9410 298.0165 -183703.2993 -149482.8498 298.7608 -204.5858 -173.7218 560433.0285 10.8034 10.8606 PRESSURE: 999800 -153.365 65.7295 88.0486 65.728 130.847 -42.401 88.0486 -42.3995 83.1248 GPRESSURE: 999800 -91.1964 38.1077 118.068 30.0668 151.8 -98.4267 50.8316 14.1947 101.312 PRESSAVG: 999800 -32.0464 40.4795 18.4949 40.4795 1.27361 22.8612 18.495 22.8612 1.89287 GPRESSAVG: 999800 -31.1612 45.3431 18.8202 38.192 0.481519 21.8148 18.6709 24.2438 1.99234 TIMING: 999800 CPU: 3003.27, 0.00302085/step Wall: 3003.27, 0.00302085/step, 3.35666 hours remaining, 208.097656 MB of memory in use. ENERGY: 999800 739.9119 2055.6310 1934.0446 106.6032 -206603.0150 17903.7737 0.0000 0.0000 34237.8787 -149625.1718 299.0079 -183863.0505 -149523.3583 298.1882 20.2023 53.9719 557439.3025 -9.6266 -9.5624 PRESSURE: 1000000 95.1295 -23.5779 -5.2863 -23.5772 -5.26251 81.0969 -5.28633 81.0976 201.945 GPRESSURE: 1000000 150.402 -5.62418 -82.2723 -30.3355 -29.3556 -42.3831 22.6423 148.803 262.386 PRESSAVG: 1000000 -2.42916 -18.0893 -2.46898 -18.0893 -50.1289 -31.3709 -2.46902 -31.3711 40.7778 GPRESSAVG: 1000000 -1.81848 -18.2519 -1.12637 -17.0954 -50.3824 -30.7742 -2.67728 -32.4149 40.6596 TIMING: 1000000 CPU: 3003.87, 0.00302681/step Wall: 3003.87, 0.00302681/step, 3.36313 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: 1000000 708.6961 2076.5056 1939.7812 108.0293 -206439.7026 17928.6953 0.0000 0.0000 34190.9336 -149487.0616 298.5979 -183677.9951 -149390.0563 298.1168 97.2705 127.8108 557702.9583 -3.9267 -3.8471 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1000000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 1000000 WRITING COORDINATES TO RESTART FILE AT STEP 1000000 FINISHED WRITING RESTART COORDINATES The last position output (seq=1000000) takes 0.010 seconds, 208.098 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 1000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1000200 26.054 179.481 -80.9015 179.483 96.9082 -56.7327 -80.9019 -56.7333 -217.047 GPRESSURE: 1000200 59.0138 135.479 -39.6239 189.453 99.2802 -144.959 -122.129 -64.7467 -148 PRESSAVG: 1000200 -17.5723 22.5719 -61.7326 22.572 3.93343 13.3072 -61.7327 13.3073 53.3672 GPRESSAVG: 1000200 -18.6331 22.0487 -62.7475 21.7359 5.51214 12.4865 -61.8435 14.0674 52.9184 TIMING: 1000200 CPU: 3004.49, 0.00311002/step Wall: 3004.49, 0.00311002/step, 3.45541 hours remaining, 208.156250 MB of memory in use. ENERGY: 1000200 745.8825 2096.1392 1911.8512 103.5490 -206207.8583 17797.8396 0.0000 0.0000 34090.8185 -149461.7784 297.7236 -183552.5969 -149374.7995 298.0130 -31.3617 3.4315 557547.6245 13.2428 13.2658 LDB: ============= START OF LOAD BALANCING ============== 3008.01 LDB: ============== END OF LOAD BALANCING =============== 3008.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3008.01 LDB: ============= START OF LOAD BALANCING ============== 3008.32 LDB: Largest compute 4800 load 0.027648 is 23.4% of average load 0.117983 LDB: Average compute 0.001727 is 1.5% of average load 0.117983 LDB: TIME 3008.32 LOAD: AVG 0.117983 MAX 0.212416 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.258 MB LDB: TIME 3008.32 LOAD: AVG 0.117983 MAX 0.212416 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.258 MB LDB: TIME 3008.32 LOAD: AVG 0.117983 MAX 0.212416 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.258 MB LDB: ============== END OF LOAD BALANCING =============== 3008.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3008.33 PRESSURE: 1000400 -284.943 -48.2104 77.2418 -48.2092 -196.255 60.2376 77.2419 60.2379 -185.045 GPRESSURE: 1000400 -180.468 31.7411 133.746 -128.514 -203.947 48.6196 59.1661 67.7658 -200.794 PRESSAVG: 1000400 -56.3728 -3.38852 -41.2988 -3.38853 90.5953 13.8169 -41.2989 13.8168 -4.39033 GPRESSAVG: 1000400 -56.0142 -3.28491 -40.657 -4.27481 89.0971 15.3802 -40.6601 12.8021 -2.77822 TIMING: 1000400 CPU: 3005.11, 0.00309591/step Wall: 3005.11, 0.00309591/step, 3.43955 hours remaining, 207.250000 MB of memory in use. ENERGY: 1000400 751.5278 2120.7170 1918.6420 116.2606 -205974.8824 17506.7209 0.0000 0.0000 34292.3930 -149268.6211 299.4840 -183561.0141 -149169.1712 299.0398 -222.0808 -195.0694 557448.4450 9.9440 10.1016 PRESSURE: 1000600 103.196 -56.3433 -14.2022 -56.3428 -137.694 197.423 -14.2023 197.423 -102.674 GPRESSURE: 1000600 60.5907 -101.103 -156.781 -27.5686 -34.1993 115.271 -43.3896 248.982 -70.8319 PRESSAVG: 1000600 51.5714 7.392 -21.1294 7.39206 -30.7629 40.3238 -21.1294 40.3238 -45.1074 GPRESSAVG: 1000600 50.2266 6.86527 -21.5224 8.89917 -29.2898 39.5497 -21.3703 40.7141 -45.288 TIMING: 1000600 CPU: 3005.72, 0.00302553/step Wall: 3005.72, 0.00302553/step, 3.3612 hours remaining, 207.250000 MB of memory in use. ENERGY: 1000600 758.7325 2039.2253 1939.9598 111.1522 -206304.4010 17784.1848 0.0000 0.0000 34437.2991 -149233.8472 300.7495 -183671.1463 -149136.1336 299.2405 -45.7241 -14.8135 558388.4626 -8.0996 -8.1171 PRESSURE: 1000800 252.088 68.4098 130.667 68.4089 -133.559 -23.8154 130.666 -23.8176 113.957 GPRESSURE: 1000800 252.93 94.346 151.256 41.8187 -120.308 -56.7642 105.31 -77.3674 204.198 PRESSAVG: 1000800 135.611 9.12261 53.9394 9.12276 -97.9766 47.1828 53.9395 47.1829 -21.6388 GPRESSAVG: 1000800 136.035 9.30371 54.5727 9.58026 -97.5386 46.9459 52.0132 46.9998 -22.5256 TIMING: 1000800 CPU: 3006.32, 0.00301461/step Wall: 3006.32, 0.00301461/step, 3.3489 hours remaining, 207.250000 MB of memory in use. ENERGY: 1000800 741.2892 2083.2597 1965.5389 108.3425 -206218.4552 17837.6031 0.0000 0.0000 34291.7529 -149190.6687 299.4784 -183482.4216 -149086.6568 298.6775 77.4953 112.2731 557215.0229 5.3319 5.3235 PRESSURE: 1001000 -184.414 -41.4303 30.2739 -41.4305 -239.537 -183.92 30.2746 -183.921 136.852 GPRESSURE: 1001000 -148.471 -25.2982 -50.2108 -64.6376 -216.7 -107.961 87.4825 -135.119 170.027 PRESSAVG: 1001000 30.4208 13.3847 49.6881 13.3847 -72.7878 -31.1902 49.6882 -31.1901 19.6007 GPRESSAVG: 1001000 31.7957 11.8863 48.3818 13.6626 -74.3467 -29.8786 50.6223 -29.6932 20.0948 TIMING: 1001000 CPU: 3006.93, 0.00302537/step Wall: 3006.93, 0.00302537/step, 3.36069 hours remaining, 207.250000 MB of memory in use. ENERGY: 1001000 697.2693 2093.8775 1936.9428 106.3048 -205842.0913 17658.1582 0.0000 0.0000 34337.6204 -149011.9183 299.8790 -183349.5387 -148914.6149 299.4627 -95.6998 -65.0479 559574.5794 -7.5887 -7.4854 PRESSURE: 1001200 118.475 -47.7313 65.7851 -47.7321 87.5905 -60.2505 65.7851 -60.2517 49.8432 GPRESSURE: 1001200 167.441 -0.410308 121.572 -65.3507 97.7329 -118.945 69.8119 -68.7816 93.6356 PRESSAVG: 1001200 -42.0316 -12.8763 -39.1562 -12.8764 53.4783 -19.8347 -39.1562 -19.8347 -0.817616 GPRESSAVG: 1001200 -41.9793 -11.02 -37.8516 -14.9257 52.7504 -20.8356 -38.0325 -21.1957 -0.394056 TIMING: 1001200 CPU: 3007.54, 0.00305684/step Wall: 3007.54, 0.00305684/step, 3.39547 hours remaining, 207.250000 MB of memory in use. ENERGY: 1001200 726.5155 2083.3268 1954.8271 120.2109 -205976.0811 17861.6313 0.0000 0.0000 34265.6709 -148963.8986 299.2506 -183229.5695 -148867.1376 299.7964 85.3030 119.6030 556844.5021 3.5430 3.4590 PRESSURE: 1001400 40.1543 64.1447 1.90251 64.1436 78.7803 -56.0186 1.90216 -56.0188 -135.306 GPRESSURE: 1001400 48.2869 94.5181 -39.1749 55.1294 104.233 -66.2483 31.0754 -93.1919 -73.6099 PRESSAVG: 1001400 -4.30308 -8.26391 19.8853 -8.26391 -20.0695 21.6132 19.8853 21.6131 -10.9482 GPRESSAVG: 1001400 -5.30501 -9.43386 20.2415 -6.75281 -19.5021 20.8757 19.0996 24.5896 -10.7541 TIMING: 1001400 CPU: 3008.14, 0.00301983/step Wall: 3008.14, 0.00301983/step, 3.35419 hours remaining, 207.250000 MB of memory in use. ENERGY: 1001400 760.2025 2065.9087 1929.3353 113.6802 -206087.0574 17765.2946 0.0000 0.0000 34619.9437 -148832.6926 302.3446 -183452.6362 -148735.1521 299.7401 -5.4571 26.3032 556957.4475 -11.7736 -11.8538 PRESSURE: 1001600 -101.2 -98.7187 -11.0962 -98.7196 -71.3858 92.1784 -11.0968 92.18 -53.0376 GPRESSURE: 1001600 -4.55225 -87.571 -34.7271 -87.934 -100.897 12.4965 36.4609 126.564 -16.1169 PRESSAVG: 1001600 33.9448 15.2949 1.86972 15.2949 -38.7034 -33.5704 1.86975 -33.5704 -1.45927 GPRESSAVG: 1001600 34.9354 16.8353 1.17557 13.3825 -38.7156 -33.1163 3.5021 -35.2371 -2.13217 TIMING: 1001600 CPU: 3008.75, 0.00302329/step Wall: 3008.75, 0.00302329/step, 3.35786 hours remaining, 207.250000 MB of memory in use. ENERGY: 1001600 720.2739 2105.6840 1916.9714 104.5574 -205748.3770 17707.7694 0.0000 0.0000 34571.0595 -148622.0613 301.9177 -183193.1208 -148518.6605 301.0161 -75.2079 -40.5220 558299.1072 -2.0726 -1.9708 PRESSURE: 1001800 87.9789 -166.45 11.5895 -166.451 -132.065 144.811 11.5905 144.81 -105.431 GPRESSURE: 1001800 108.518 -137.714 52.7792 -179.877 -103.377 106.838 -42.9598 226.618 -58.2985 PRESSAVG: 1001800 37.547 3.37591 52.7285 3.37594 -16.4775 10.7591 52.7285 10.7591 28.1166 GPRESSAVG: 1001800 37.6326 2.55091 53.7858 4.04084 -16.8488 10.3042 51.1887 10.0595 29.1507 TIMING: 1001800 CPU: 3009.35, 0.00303767/step Wall: 3009.35, 0.00303767/step, 3.37367 hours remaining, 207.250000 MB of memory in use. ENERGY: 1001800 753.4068 2095.1321 1903.6952 106.5230 -205406.2012 17503.0990 0.0000 0.0000 34500.6527 -148543.6924 301.3028 -183044.3451 -148434.4446 300.0959 -49.8389 -17.7192 558314.0728 16.3953 16.6448 PRESSURE: 1002000 -169.553 -254.075 -37.2455 -254.075 136.487 -19.889 -37.246 -19.8886 -89.5621 GPRESSURE: 1002000 -155.077 -255.139 34.7018 -197.233 180.592 -30.4934 9.13228 51.4169 -50.035 PRESSAVG: 1002000 0.912295 -34.01 20.992 -34.01 -1.066 -19.6512 20.992 -19.6512 -19.0908 GPRESSAVG: 1002000 0.715902 -34.308 20.161 -34.0534 -0.665424 -21.2446 21.2727 -19.0262 -18.7033 TIMING: 1002000 CPU: 3009.96, 0.00304426/step Wall: 3009.96, 0.00304426/step, 3.38082 hours remaining, 207.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1002000 740.7835 2149.3698 1892.3043 98.7766 -205701.9924 17671.9419 0.0000 0.0000 34464.8893 -148683.9272 300.9905 -183148.8164 -148591.7373 301.1312 -40.8761 -8.1734 558914.0273 -6.4148 -6.2176 PRESSURE: 1002200 119.549 -66.0907 -47.6511 -66.0907 121.487 -184.345 -47.6512 -184.344 -216.781 GPRESSURE: 1002200 197.369 -100.102 -102.01 4.74846 140.212 -109.461 24.209 -216.582 -207.261 PRESSAVG: 1002200 18.3814 -69.8273 -14.1527 -69.8273 32.7093 -53.349 -14.1527 -53.3489 -60.7827 GPRESSAVG: 1002200 17.0234 -70.4322 -16.4952 -69.8086 34.4007 -49.3539 -13.2804 -52.5251 -60.9428 TIMING: 1002200 CPU: 3010.57, 0.00302552/step Wall: 3010.57, 0.00302552/step, 3.35983 hours remaining, 207.250000 MB of memory in use. ENERGY: 1002200 734.7507 2121.1064 1953.5726 112.0402 -205923.3550 17779.9604 0.0000 0.0000 34669.5747 -148552.3499 302.7780 -183221.9246 -148452.5492 301.5207 8.0848 43.4400 558798.3404 -3.2306 -3.1729 PRESSURE: 1002400 -54.3193 -157.06 17.6903 -157.061 47.5116 -88.1997 17.6885 -88.1995 31.7902 GPRESSURE: 1002400 63.4999 -84.48 -65.3483 -220.797 56.7963 -63.3848 14.7045 -48.5281 0.335937 PRESSAVG: 1002400 39.0829 -13.9809 -31.0497 -13.9809 -10.9921 -11.682 -31.0497 -11.682 49.0661 GPRESSAVG: 1002400 39.498 -13.0567 -29.5278 -14.1901 -11.9073 -13.9617 -30.0823 -10.8635 49.8688 TIMING: 1002400 CPU: 3011.18, 0.00304992/step Wall: 3011.18, 0.00304992/step, 3.38677 hours remaining, 207.250000 MB of memory in use. ENERGY: 1002400 763.5735 2088.2984 1926.2026 100.7855 -205888.1906 17784.5856 0.0000 0.0000 34397.1165 -148827.6285 300.3986 -183224.7450 -148726.6371 301.1605 8.3275 40.2107 557118.4066 25.7190 25.8198 PRESSURE: 1002600 141.086 -17.7723 31.3941 -17.7726 -175.878 -36.4673 31.394 -36.4691 59.2589 GPRESSURE: 1002600 154.707 34.2732 -22.3401 -29.7259 -107.123 -75.9394 107.369 31.0382 76.9069 PRESSAVG: 1002600 34.2964 -24.7715 -71.8377 -24.7715 -49.7483 -49.7701 -71.8377 -49.7702 -15.2041 GPRESSAVG: 1002600 33.9729 -26.009 -71.2175 -22.586 -49.1391 -49.6157 -72.0814 -49.9814 -15.1926 TIMING: 1002600 CPU: 3011.78, 0.00302977/step Wall: 3011.78, 0.00302977/step, 3.36423 hours remaining, 207.250000 MB of memory in use. ENERGY: 1002600 741.4020 2116.9059 1917.2869 107.4115 -206202.4422 17785.5060 0.0000 0.0000 34495.2415 -149038.6884 301.2555 -183533.9299 -148941.5560 300.3366 8.1555 41.4969 558668.1471 -10.2186 -10.1196 PRESSURE: 1002800 148.96 197.333 47.0384 197.333 12.3703 -100.004 47.0382 -100.003 -72.0264 GPRESSURE: 1002800 180.92 249.427 1.21435 188.681 80.7335 -91.7549 -5.28086 -99.5946 -72.5523 PRESSAVG: 1002800 -13.8646 38.7407 -20.3037 38.7408 -14.8192 9.17325 -20.3036 9.17328 -46.4301 GPRESSAVG: 1002800 -12.3398 42.152 -20.2038 36.3083 -15.5849 9.60356 -22.3828 8.03112 -46.9229 TIMING: 1002800 CPU: 3012.39, 0.00303406/step Wall: 3012.39, 0.00303406/step, 3.36882 hours remaining, 207.250000 MB of memory in use. ENERGY: 1002800 784.4798 2050.0545 1912.2864 110.4408 -206497.5653 18044.9186 0.0000 0.0000 34573.4094 -149021.9759 301.9382 -183595.3853 -148929.9366 299.3984 29.7681 63.0336 557485.5642 -25.0380 -24.9492 PRESSURE: 1003000 -78.5292 -129.759 -15.6883 -129.758 123.734 -12.7197 -15.6871 -12.7183 160.074 GPRESSURE: 1003000 -70.0687 -107.941 -37.9997 -132.901 134.365 -87.5674 -36.481 -66.7298 240.719 PRESSAVG: 1003000 -17.6288 -15.626 -8.97805 -15.626 35.0446 -11.9184 -8.97804 -11.9183 8.88905 GPRESSAVG: 1003000 -17.6469 -15.8018 -9.76771 -16.5479 37.1063 -12.5631 -5.97169 -13.4828 7.41135 TIMING: 1003000 CPU: 3012.99, 0.00300239/step Wall: 3012.99, 0.00300239/step, 3.33349 hours remaining, 207.250000 MB of memory in use. ENERGY: 1003000 764.2339 2075.1381 1924.8918 123.7140 -205992.9893 17924.5861 0.0000 0.0000 34315.2870 -148865.1385 299.6839 -183180.4255 -148774.0864 299.5877 68.4262 101.6717 559104.1900 8.7683 8.9569 PRESSURE: 1003200 55.5136 -34.5729 -116.185 -34.5728 -90.6743 66.2213 -116.184 66.2207 19.1445 GPRESSURE: 1003200 120.444 88.314 -139.5 -88.1329 -96.4431 50.3389 -118.944 2.15889 59.8956 PRESSAVG: 1003200 -27.4081 -20.3881 -32.5041 -20.3881 -28.7933 8.67833 -32.5041 8.67836 54.3728 GPRESSAVG: 1003200 -28.6544 -22.1073 -31.4726 -18.1904 -30.3358 10.181 -34.3427 10.5506 57.3548 TIMING: 1003200 CPU: 3013.59, 0.00300673/step Wall: 3013.59, 0.00300673/step, 3.33813 hours remaining, 207.250000 MB of memory in use. ENERGY: 1003200 752.1155 2072.0854 1918.2466 109.7932 -206050.6493 17964.1856 0.0000 0.0000 34242.9565 -148991.2665 299.0523 -183234.2230 -148907.2938 299.8809 -5.3387 27.9654 559174.6560 -0.6095 -0.5451 PRESSURE: 1003400 -100.022 -65.0126 -101.887 -65.0135 111.044 -77.6224 -101.887 -77.62 -378.333 GPRESSURE: 1003400 -109.204 -97.0832 -123.782 -20.1783 159.138 -86.4086 14.8153 -72.389 -322.011 PRESSAVG: 1003400 -0.586686 46.7963 4.23532 46.7963 -40.3234 -55.4548 4.23533 -55.4548 26.0713 GPRESSAVG: 1003400 1.59529 47.969 4.66278 46.6491 -40.7859 -56.1038 3.88028 -57.276 24.6664 TIMING: 1003400 CPU: 3014.19, 0.00301094/step Wall: 3014.19, 0.00301094/step, 3.34264 hours remaining, 207.250000 MB of memory in use. ENERGY: 1003400 768.0442 2075.1958 1937.4191 105.6472 -205845.4856 17607.2701 0.0000 0.0000 34252.7404 -149099.1688 299.1377 -183351.9092 -149004.8652 299.3841 -122.4368 -90.6925 558925.6085 -4.9463 -4.8414 PRESSURE: 1003600 -196.513 -3.75297 -123.779 -3.75355 5.00448 14.2219 -123.78 14.221 -137.453 GPRESSURE: 1003600 -133.239 8.78132 -185.728 16.9401 -24.5073 -33.7145 -76.3762 50.631 -65.8733 PRESSAVG: 1003600 -19.6428 -36.5581 -20.8023 -36.5581 0.454564 -8.43256 -20.8024 -8.43263 -7.65418 GPRESSAVG: 1003600 -20.0001 -38.0142 -23.7402 -35.7501 0.457909 -8.69249 -19.6815 -7.44756 -7.19307 TIMING: 1003600 CPU: 3014.79, 0.00300158/step Wall: 3014.79, 0.00300158/step, 3.33208 hours remaining, 207.250000 MB of memory in use. ENERGY: 1003600 755.4538 2055.3136 1906.0644 105.8179 -206031.4018 17797.8890 0.0000 0.0000 34308.3940 -149102.4691 299.6237 -183410.8631 -149004.2411 299.4596 -109.6537 -74.5400 559131.6848 -8.9475 -8.9118 PRESSURE: 1003800 -128.779 -57.2519 44.3719 -57.2527 -9.68807 -82.6265 44.3726 -82.626 -234.519 GPRESSURE: 1003800 -89.0711 -134.103 102.844 -56.0183 21.1096 -127.948 3.51488 -32.3307 -218.892 PRESSAVG: 1003800 4.66896 1.52105 9.06175 1.52099 -2.81501 -48.417 9.0617 -48.4169 -6.39075 GPRESSAVG: 1003800 2.98932 1.01447 11.5789 2.68936 -1.92656 -48.6866 7.65336 -48.9646 -5.67668 TIMING: 1003800 CPU: 3015.4, 0.00302943/step Wall: 3015.4, 0.00302943/step, 3.36283 hours remaining, 207.250000 MB of memory in use. ENERGY: 1003800 744.7524 2142.4975 1923.4066 106.3896 -205890.1271 17544.0870 0.0000 0.0000 34284.5048 -149144.4892 299.4151 -183428.9940 -149043.3338 299.4465 -124.3285 -95.6177 559751.1756 -1.5123 -1.5380 PRESSURE: 1004000 -245.967 151.598 -93.4147 151.597 -163.832 187.866 -93.416 187.865 -238.711 GPRESSURE: 1004000 -205.202 130.221 -127.417 210.881 -138.878 151.285 -81.1369 283.093 -210.108 PRESSAVG: 1004000 -31.1702 -25.5547 16.3626 -25.5547 12.0146 -1.75542 16.3625 -1.75551 -9.96001 GPRESSAVG: 1004000 -31.4931 -24.8002 15.9946 -26.7567 11.638 -2.35467 17.4026 0.635938 -9.57518 TIMING: 1004000 CPU: 3016.01, 0.00304006/step Wall: 3016.01, 0.00304006/step, 3.37447 hours remaining, 207.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1004000 741.3369 2145.7129 1927.9798 102.1802 -206029.3605 17703.0825 0.0000 0.0000 34403.4302 -149005.6381 300.4537 -183409.0683 -148899.3610 300.1448 -216.1699 -184.7294 559413.7449 -9.7052 -9.8101 PRESSURE: 1004200 84.5592 39.3923 -11.844 39.3922 -57.1298 -45.075 -11.8434 -45.0755 73.5939 GPRESSURE: 1004200 49.3564 -22.028 47.6299 131.252 32.6097 -106.831 61.3602 -39.6978 118.029 PRESSAVG: 1004200 21.988 41.6256 -49.2307 41.6256 -33.261 -17.0285 -49.2307 -17.0285 15.1529 GPRESSAVG: 1004200 23.127 44.0012 -47.9473 39.2576 -32.7497 -17.1097 -51.1947 -18.6591 13.4741 TIMING: 1004200 CPU: 3016.61, 0.00301009/step Wall: 3016.61, 0.00301009/step, 3.34103 hours remaining, 207.250000 MB of memory in use. ENERGY: 1004200 752.7249 2127.8044 1930.3019 109.1422 -206045.5032 17765.3042 0.0000 0.0000 34453.8801 -148906.3456 300.8943 -183360.2256 -148803.8865 300.6324 33.6745 66.6652 557169.1810 1.2933 1.2838 LDB: ============= START OF LOAD BALANCING ============== 3020.13 LDB: ============== END OF LOAD BALANCING =============== 3020.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3020.13 LDB: ============= START OF LOAD BALANCING ============== 3020.43 LDB: Largest compute 4800 load 0.028037 is 23.8% of average load 0.117949 LDB: Average compute 0.001736 is 1.5% of average load 0.117949 LDB: TIME 3020.44 LOAD: AVG 0.117949 MAX 0.211962 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.68 MB LDB: TIME 3020.44 LOAD: AVG 0.117949 MAX 0.211962 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.883 MB LDB: TIME 3020.44 LOAD: AVG 0.117949 MAX 0.211962 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.883 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3020.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3020.44 PRESSURE: 1004400 79.2488 101.749 -19.3573 101.75 258.064 -15.1882 -19.3567 -15.1878 -142.155 GPRESSURE: 1004400 48.1559 104.919 -53.1019 81.3031 333.546 -101.945 15.6942 -5.20192 -81.8261 PRESSAVG: 1004400 9.64166 -51.9567 -22.7286 -51.9568 -11.3794 -0.727134 -22.7287 -0.727005 -46.4768 GPRESSAVG: 1004400 9.69449 -52.0979 -23.1858 -50.8003 -10.9192 -2.33783 -23.4136 -0.310139 -46.7987 TIMING: 1004400 CPU: 3017.23, 0.00308313/step Wall: 3017.23, 0.00308313/step, 3.42193 hours remaining, 209.195312 MB of memory in use. ENERGY: 1004400 788.8829 2176.0295 1937.6854 107.6677 -206072.7491 17950.6730 0.0000 0.0000 34089.9723 -149021.8383 297.7162 -183111.8107 -148925.8341 300.4761 65.0526 99.9586 558053.3282 -16.0715 -16.0078 PRESSURE: 1004600 -99.7943 -44.806 -31.8628 -44.8069 351.269 214.598 -31.8623 214.597 94.9465 GPRESSURE: 1004600 -7.67236 26.1133 -24.1968 -28.2292 333.652 136.83 -81.4847 163.058 114.573 PRESSAVG: 1004600 1.11445 -6.58862 27.4135 -6.58866 -25.5603 105.213 27.4135 105.213 20.3381 GPRESSAVG: 1004600 0.586705 -7.31339 29.3208 -6.04327 -25.3271 107.421 26.8058 104.07 20.7587 TIMING: 1004600 CPU: 3017.83, 0.00303898/step Wall: 3017.83, 0.00303898/step, 3.37276 hours remaining, 209.195312 MB of memory in use. ENERGY: 1004600 716.5869 2083.0848 1931.9339 106.7209 -206446.9356 17993.0071 0.0000 0.0000 34507.0880 -149108.5140 301.3590 -183615.6020 -149012.2012 300.0518 115.4738 146.8509 556736.8932 -1.3692 -1.3272 PRESSURE: 1004800 -457.626 44.0789 -38.4165 44.08 -19.7498 -133.724 -38.4161 -133.724 -96.3164 GPRESSURE: 1004800 -458.697 40.0716 -117.308 -8.51536 35.9948 -112.343 -70.1079 -145.861 -49.0309 PRESSAVG: 1004800 -1.55361 -5.53864 54.9202 -5.53861 -29.4552 39.3167 54.9202 39.3168 67.3116 GPRESSAVG: 1004800 -0.1844 -6.75597 53.9041 -5.83519 -28.9541 37.8205 57.7023 41.1834 65.5881 TIMING: 1004800 CPU: 3018.44, 0.0030205/step Wall: 3018.44, 0.0030205/step, 3.35208 hours remaining, 209.195312 MB of memory in use. ENERGY: 1004800 738.2251 2104.3867 1903.2147 102.1157 -205786.9187 17526.9863 0.0000 0.0000 34394.3407 -149017.6495 300.3743 -183411.9902 -148927.8653 300.1011 -191.2306 -157.2443 557991.8205 12.1009 12.1498 PRESSURE: 1005000 146.449 -33.8415 -147.777 -33.8415 82.7769 -8.87538 -147.776 -8.87515 -101.132 GPRESSURE: 1005000 119.585 83.2523 -35.1054 -41.541 118.189 61.6256 -190.302 -61.9448 -17.9237 PRESSAVG: 1005000 -23.6924 -20.3487 11.1236 -20.3486 46.2834 -4.35017 11.1237 -4.35017 26.3361 GPRESSAVG: 1005000 -24.6978 -19.4537 10.4818 -17.874 45.8498 -3.88954 9.32092 -4.38034 28.4425 TIMING: 1005000 CPU: 3019.04, 0.00301508/step Wall: 3019.04, 0.00301508/step, 3.3459 hours remaining, 209.195312 MB of memory in use. ENERGY: 1005000 788.2473 2085.8433 1928.8735 107.7121 -206340.2915 17898.1879 0.0000 0.0000 34281.1522 -149250.2753 299.3858 -183531.4275 -149149.9483 299.7004 42.6977 73.2834 557534.0336 16.3090 16.5315 PRESSURE: 1005200 231.007 75.2799 -26.9149 75.2793 188.533 -59.5017 -26.9148 -59.5006 118.897 GPRESSURE: 1005200 279.226 77.9014 -30.239 66.4922 213.619 -81.106 9.1613 -56.9428 132.386 PRESSAVG: 1005200 -10.5974 -1.92727 48.8172 -1.9273 25.6176 -27.0361 48.8172 -27.0361 15.9675 GPRESSAVG: 1005200 -9.64624 -0.309119 47.0663 -4.8208 24.8256 -26.5159 50.9719 -29.1296 15.387 TIMING: 1005200 CPU: 3019.65, 0.00302445/step Wall: 3019.65, 0.00302445/step, 3.35613 hours remaining, 209.453125 MB of memory in use. ENERGY: 1005200 746.3205 2099.7435 1939.1015 112.1149 -206394.3173 17977.4019 0.0000 0.0000 34189.9472 -149329.6878 298.5893 -183519.6350 -149229.8492 299.6508 179.4789 208.4104 557030.2349 10.3292 10.1888 PRESSURE: 1005400 83.1942 -14.7583 -132.493 -14.7587 -110.747 -0.17914 -132.493 -0.17989 -158.91 GPRESSURE: 1005400 129.206 -9.32766 -72.6605 66.3292 -71.9025 32.9691 -154.183 -17.1846 -154.291 PRESSAVG: 1005400 4.60179 20.015 -38.8138 20.015 24.8239 -23.3863 -38.8137 -23.3863 -32.5803 GPRESSAVG: 1005400 4.41808 20.5785 -38.9896 18.6662 25.8967 -22.8368 -39.6341 -24.2848 -33.7285 TIMING: 1005400 CPU: 3020.25, 0.00302302/step Wall: 3020.25, 0.00302302/step, 3.35437 hours remaining, 209.453125 MB of memory in use. ENERGY: 1005400 724.6308 2105.3881 1961.2548 125.1988 -206211.4805 17861.7711 0.0000 0.0000 34223.5750 -149209.6619 298.8830 -183433.2369 -149116.5267 299.0981 -62.1543 -32.3290 558062.4195 -1.0515 -1.1379 PRESSURE: 1005600 -72.185 78.2597 88.4676 78.2587 -318.878 16.9812 88.4679 16.9804 -46.5554 GPRESSURE: 1005600 -65.8809 96.2648 -11.0818 90.1055 -249.154 77.7443 183.548 -58.6533 -28.1202 PRESSAVG: 1005600 10.1634 -27.2999 -9.56156 -27.2998 16.0461 29.729 -9.5615 29.7291 10.8299 GPRESSAVG: 1005600 9.79766 -29.1786 -7.68045 -25.0541 15.1246 28.7738 -11.1334 30.7007 11.8239 TIMING: 1005600 CPU: 3020.86, 0.00303182/step Wall: 3020.86, 0.00303182/step, 3.36397 hours remaining, 209.453125 MB of memory in use. ENERGY: 1005600 734.3207 2093.7473 1939.0629 116.4180 -205579.6817 17430.5778 0.0000 0.0000 34037.9414 -149227.6136 297.2618 -183265.5550 -149132.1803 299.1045 -145.8728 -114.3850 557737.5851 12.3465 12.2487 PRESSURE: 1005800 50.3967 -210.688 111.732 -210.687 -80.5834 45.4259 111.731 45.4265 -74.4188 GPRESSURE: 1005800 58.2668 -195.319 101.415 -204.595 -26.6066 95.7372 16.135 -28.7257 -37.7188 PRESSAVG: 1005800 0.881074 -12.5168 18.076 -12.5169 -31.1387 62.2609 18.076 62.2609 53.1713 GPRESSAVG: 1005800 1.78883 -12.4151 16.9085 -13.0457 -31.0843 61.2353 20.0142 64.7865 52.3242 TIMING: 1005800 CPU: 3021.46, 0.00302029/step Wall: 3021.46, 0.00302029/step, 3.35101 hours remaining, 209.453125 MB of memory in use. ENERGY: 1005800 748.5330 2093.7703 1951.9117 112.1983 -205964.8191 17650.3636 0.0000 0.0000 34336.4148 -149071.6274 299.8685 -183408.0422 -148977.6463 298.8510 -34.8685 -2.0195 556425.1327 7.6379 7.6762 PRESSURE: 1006000 426.229 8.43959 66.4796 8.44013 230.691 -27.5122 66.4784 -27.5116 36.962 GPRESSURE: 1006000 397.265 45.28 -8.49129 -62.7952 274.188 -66.3958 116.511 29.3521 114.552 PRESSAVG: 1006000 1.67096 15.7158 16.9209 15.7158 -28.2872 -10.4805 16.921 -10.4804 73.3203 GPRESSAVG: 1006000 -0.5585 15.0541 19.7714 15.1644 -28.0322 -10.6283 13.4899 -12.9664 75.2576 TIMING: 1006000 CPU: 3022.06, 0.0030122/step Wall: 3022.06, 0.0030122/step, 3.34187 hours remaining, 209.453125 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: 1006000 712.5403 2063.6041 1926.3345 120.2095 -206407.3948 17994.3419 0.0000 0.0000 34442.4948 -149147.8697 300.7949 -183590.3645 -149040.8384 299.0922 231.2940 262.0018 555143.9546 15.5680 15.5557 PRESSURE: 1006200 214.096 -72.2101 30.0036 -72.2093 161.65 -33.1218 30.0021 -33.1219 11.3453 GPRESSURE: 1006200 208.843 -127.549 14.204 -94.985 209.531 -35.9359 -2.14356 -53.2098 61.8533 PRESSAVG: 1006200 24.7326 13.3323 -18.3912 13.3323 -73.8127 0.721779 -18.3911 0.721889 39.4111 GPRESSAVG: 1006200 27.8261 15.4612 -22.2411 12.7433 -74.8552 1.41 -14.4182 2.8071 37.8222 TIMING: 1006200 CPU: 3022.66, 0.00300042/step Wall: 3022.66, 0.00300042/step, 3.32863 hours remaining, 209.453125 MB of memory in use. ENERGY: 1006200 756.7235 2083.3502 1946.1664 118.0597 -206350.4667 18138.9493 0.0000 0.0000 34138.0048 -149169.2128 298.1357 -183307.2176 -149062.5640 299.1961 129.0304 160.0757 557177.3918 -3.2230 -3.0690 PRESSURE: 1006400 -53.7814 2.73877 -20.2749 2.73891 152.02 -107.112 -20.2742 -107.113 -17.9028 GPRESSURE: 1006400 36.1555 -8.76243 6.78722 -6.87444 94.2057 -60.4013 -39.1045 -137.18 65.3488 PRESSAVG: 1006400 -74.1045 0.636011 17.7748 0.636032 26.147 37.8217 17.7748 37.8217 9.19123 GPRESSAVG: 1006400 -75.647 -1.65972 18.7739 2.505 26.4375 38.4565 16.4643 36.8875 10.5733 TIMING: 1006400 CPU: 3023.27, 0.00301296/step Wall: 3023.27, 0.00301296/step, 3.34237 hours remaining, 209.453125 MB of memory in use. ENERGY: 1006400 726.1931 2074.6811 1916.9984 115.5697 -206349.0787 18037.6907 0.0000 0.0000 34342.7341 -149135.2115 299.9236 -183477.9456 -149039.5302 298.9287 26.7786 65.2367 557694.6071 -12.9221 -12.8788 PRESSURE: 1006600 -180.51 62.5832 0.383907 62.5818 116.882 -176.12 0.38449 -176.12 0.0531658 GPRESSURE: 1006600 -58.2004 89.8445 -78.8096 69.0264 75.3017 -236.226 58.9933 -131.546 24.8587 PRESSAVG: 1006600 1.37224 -25.1434 35.6198 -25.1434 -19.4941 -21.7578 35.6198 -21.7579 19.2073 GPRESSAVG: 1006600 1.35122 -26.3123 35.0783 -24.2796 -17.8929 -21.6892 35.5255 -21.4463 17.5669 TIMING: 1006600 CPU: 3023.87, 0.00302923/step Wall: 3023.87, 0.00302923/step, 3.36026 hours remaining, 209.453125 MB of memory in use. ENERGY: 1006600 784.2455 2058.1501 1928.4684 110.6907 -205946.5666 17783.8842 0.0000 0.0000 34262.5747 -149018.5530 299.2236 -183281.1277 -148923.5106 299.2584 -21.1914 13.9866 558583.4100 0.3618 0.3417 PRESSURE: 1006800 20.2466 142.373 62.3818 142.373 -164.622 -101.017 62.3819 -101.016 -248.853 GPRESSURE: 1006800 53.5706 20.3502 -36.8735 110.009 -126.734 -76.1528 121.996 -45.4795 -212.767 PRESSAVG: 1006800 66.4258 -2.97208 10.2438 -2.97204 -44.5471 -20.9527 10.2438 -20.9527 3.53561 GPRESSAVG: 1006800 67.6491 -1.36236 10.3516 -3.78223 -46.806 -20.1829 12.5236 -23.6166 4.82577 TIMING: 1006800 CPU: 3024.48, 0.00304267/step Wall: 3024.48, 0.00304267/step, 3.375 hours remaining, 209.453125 MB of memory in use. ENERGY: 1006800 749.9727 2092.7007 1950.6847 119.9427 -206214.4207 17840.0778 0.0000 0.0000 34561.0360 -148900.0061 301.8301 -183461.0420 -148809.1373 299.7439 -131.0763 -95.3100 559753.1046 8.4714 8.5563 PRESSURE: 1007000 96.5297 -23.5573 -81.2779 -23.5555 -22.8029 -49.4835 -81.2786 -49.4835 71.2413 GPRESSURE: 1007000 188.49 4.40075 -5.23258 -16.4391 -34.9118 23.1043 -152.667 -89.9333 88.7606 PRESSAVG: 1007000 32.4436 -1.21407 4.52031 -1.21408 21.0909 -43.9444 4.52036 -43.9444 -20.4309 GPRESSAVG: 1007000 31.8539 -2.68592 5.6847 -1.00774 21.9082 -43.3232 3.09558 -39.9034 -21.0031 TIMING: 1007000 CPU: 3025.09, 0.00305439/step Wall: 3025.09, 0.00305439/step, 3.38783 hours remaining, 209.453125 MB of memory in use. ENERGY: 1007000 709.5952 2117.0659 1919.0830 103.6985 -206152.7941 17924.8761 0.0000 0.0000 34252.2518 -149126.2236 299.1334 -183378.4754 -149027.8684 300.1848 48.3227 80.7796 558088.9520 11.0345 10.9197 PRESSURE: 1007200 -223.902 9.58225 -96.2342 9.58165 146.78 129.805 -96.234 129.806 -279.118 GPRESSURE: 1007200 -184.069 -26.8807 -45.0232 20.9938 151.413 96.6363 -94.9181 110.37 -215.51 PRESSAVG: 1007200 29.2287 16.8769 -23.842 16.8768 27.3911 21.7898 -23.842 21.7898 -22.7283 GPRESSAVG: 1007200 29.8585 18.8172 -23.6621 17.6031 27.9248 19.9541 -26.1277 18.4067 -24.1237 TIMING: 1007200 CPU: 3025.7, 0.00302656/step Wall: 3025.7, 0.00302656/step, 3.35679 hours remaining, 209.453125 MB of memory in use. ENERGY: 1007200 760.0139 2053.5069 1944.8219 122.2665 -206091.9104 17765.5344 0.0000 0.0000 34322.2370 -149123.5297 299.7446 -183445.7666 -149034.2817 299.6798 -118.7466 -82.7217 558479.7219 11.2972 11.2199 PRESSURE: 1007400 -150.921 -3.10127 41.4415 -3.10117 -512.233 103.661 41.4417 103.661 -37.6245 GPRESSURE: 1007400 -103.875 54.7595 86.3685 -54.6364 -454.032 171.001 -62.517 126.641 -47.8161 PRESSAVG: 1007400 -28.6252 -4.7976 -20.8178 -4.79751 32.6262 11.4591 -20.8177 11.4591 -3.11696 GPRESSAVG: 1007400 -27.3299 -3.89647 -23.3071 -5.54686 31.5369 12.2312 -18.884 13.3317 -3.27262 TIMING: 1007400 CPU: 3026.3, 0.00301745/step Wall: 3026.3, 0.00301745/step, 3.34651 hours remaining, 209.453125 MB of memory in use. ENERGY: 1007400 771.2293 2154.6040 1931.4879 115.3449 -206080.1620 17666.9730 0.0000 0.0000 34356.4462 -149084.0768 300.0434 -183440.5230 -148996.9424 300.1960 -233.5930 -201.9075 558750.8398 0.2947 0.3115 PRESSURE: 1007600 53.2463 56.2634 -134.477 56.2634 -42.8947 -170.281 -134.477 -170.281 -58.5707 GPRESSURE: 1007600 96.297 116.037 -116.148 76.529 -49.0686 -124.175 -203.11 -229.092 -7.57189 PRESSAVG: 1007600 49.1217 18.7005 17.6698 18.7005 -31.1271 1.44494 17.6698 1.44493 -38.184 GPRESSAVG: 1007600 47.9324 19.0067 17.5369 17.3776 -30.7857 0.567934 17.4608 2.50959 -37.457 TIMING: 1007600 CPU: 3026.91, 0.00304353/step Wall: 3026.91, 0.00304353/step, 3.37527 hours remaining, 209.453125 MB of memory in use. ENERGY: 1007600 743.8254 2130.9848 1899.0994 119.9854 -206235.6928 17861.9811 0.0000 0.0000 34415.2064 -149064.6103 300.5566 -183479.8167 -148971.1985 299.2553 -16.0730 13.2188 558096.1532 -6.7298 -6.7701 PRESSURE: 1007800 -19.3252 24.1324 67.9621 24.132 -68.1997 44.7269 67.962 44.7279 -25.9709 GPRESSURE: 1007800 38.2081 47.9083 131.036 -1.2351 -15.8168 90.9484 66.5472 41.3654 -45.6871 PRESSAVG: 1007800 47.6717 -25.6275 -12.6885 -25.6276 8.58316 16.1872 -12.6885 16.1871 -20.5541 GPRESSAVG: 1007800 46.1255 -26.3651 -10.1621 -25.9921 9.89679 17.4192 -12.3774 14.3086 -20.5732 TIMING: 1007800 CPU: 3027.51, 0.00301479/step Wall: 3027.51, 0.00301479/step, 3.34323 hours remaining, 209.453125 MB of memory in use. ENERGY: 1007800 758.7618 2108.6991 1939.2193 111.6724 -206406.6358 17856.6189 0.0000 0.0000 34408.3998 -149223.2645 300.4971 -183631.6643 -149128.4290 299.3179 -37.8319 -7.7653 557756.9675 11.9003 11.8164 PRESSURE: 1008000 -479.546 -57.2703 -59.5138 -57.2702 -313.403 88.9586 -59.512 88.9597 -283.438 GPRESSURE: 1008000 -468.779 -57.0275 -38.8947 -47.8191 -259.591 126.629 -125.954 93.9808 -263.965 PRESSAVG: 1008000 21.1787 2.70626 -10.5985 2.7062 -6.48838 -6.22021 -10.5985 -6.22011 -7.08795 GPRESSAVG: 1008000 22.7728 4.50342 -11.801 2.34338 -8.40203 -7.46418 -10.9273 -5.57141 -6.75729 TIMING: 1008000 CPU: 3028.12, 0.00302192/step Wall: 3028.12, 0.00302192/step, 3.35098 hours remaining, 209.453125 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: 1008000 793.4617 2159.8808 1908.2714 111.8154 -205856.6259 17375.7268 0.0000 0.0000 34270.5503 -149236.9195 299.2932 -183507.4699 -149133.4533 299.6869 -358.7957 -330.7780 558403.8364 2.5341 2.5378 PRESSURE: 1008200 112.004 48.6388 44.8647 48.6396 -230.583 146.234 44.8631 146.235 -133.626 GPRESSURE: 1008200 132.334 -30.325 -71.5527 59.4378 -252.99 103.37 66.9818 211.064 -33.7837 PRESSAVG: 1008200 41.3652 11.5669 2.57688 11.5669 30.4496 36.1845 2.57683 36.1846 -50.0486 GPRESSAVG: 1008200 40.3036 9.83812 2.55574 14.4702 30.3964 34.8524 3.45277 37.1889 -49.2721 TIMING: 1008200 CPU: 3028.72, 0.00300144/step Wall: 3028.72, 0.00300144/step, 3.32809 hours remaining, 209.453125 MB of memory in use. ENERGY: 1008200 774.0069 2121.6429 1957.0454 134.5119 -206335.9917 17918.7926 0.0000 0.0000 34184.3565 -149245.6354 298.5405 -183429.9918 -149145.4134 299.7911 -84.0685 -51.4801 556913.8679 7.2554 7.1426 LDB: ============= START OF LOAD BALANCING ============== 3032.24 LDB: ============== END OF LOAD BALANCING =============== 3032.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3032.24 LDB: ============= START OF LOAD BALANCING ============== 3032.54 LDB: Largest compute 4800 load 0.027507 is 23.3% of average load 0.117958 LDB: Average compute 0.001736 is 1.5% of average load 0.117958 LDB: TIME 3032.54 LOAD: AVG 0.117958 MAX 0.208492 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.902 MB LDB: TIME 3032.54 LOAD: AVG 0.117958 MAX 0.208492 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.973 MB LDB: TIME 3032.54 LOAD: AVG 0.117958 MAX 0.208492 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.973 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3032.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 3032.55 Info: useSync: 0 useProxySync: 0 PRESSURE: 1008400 -2.19218 -82.6661 -71.8334 -82.6667 -197.811 63.4222 -71.834 63.4233 176.127 GPRESSURE: 1008400 29.8371 -110.186 -58.6766 -72.7075 -178.622 75.9396 -7.76037 58.4823 212.298 PRESSAVG: 1008400 5.43173 0.657615 -9.04289 0.657648 -76.37 -15.7441 -9.04287 -15.7441 37.5135 GPRESSAVG: 1008400 6.13244 -0.544111 -9.2541 -0.20179 -76.2712 -14.9751 -9.14284 -14.0635 36.5486 TIMING: 1008400 CPU: 3029.33, 0.00307195/step Wall: 3029.33, 0.00307195/step, 3.40611 hours remaining, 208.730469 MB of memory in use. ENERGY: 1008400 736.6028 2089.5726 1919.7726 118.6590 -206144.8156 17803.3552 0.0000 0.0000 34093.6835 -149383.1700 297.7486 -183476.8536 -149290.4009 299.2525 -7.9586 21.1708 555992.5826 -11.1416 -11.1967 PRESSURE: 1008600 -25.2708 -93.1705 -104.575 -93.1715 25.9032 102.43 -104.576 102.43 -83.4112 GPRESSURE: 1008600 -25.0614 -106.153 -112.049 -39.3293 74.7812 137.644 -184.328 67.8123 -46.0317 PRESSAVG: 1008600 73.8579 30.5434 19.77 30.5435 -58.4731 -33.682 19.7701 -33.6821 8.62286 GPRESSAVG: 1008600 73.6975 32.2038 21.0505 28.4873 -57.5156 -33.6786 19.7485 -34.5152 7.89846 TIMING: 1008600 CPU: 3029.93, 0.00301646/step Wall: 3029.93, 0.00301646/step, 3.34441 hours remaining, 208.730469 MB of memory in use. ENERGY: 1008600 733.2063 2082.9157 1932.1611 122.2081 -206159.0734 17804.9315 0.0000 0.0000 34183.6793 -149299.9714 298.5346 -183483.6508 -149201.2616 298.7559 -27.5929 1.2294 558685.2946 8.0026 8.0268 PRESSURE: 1008800 103.376 -104.543 80.0549 -104.542 37.7279 -221.541 80.0579 -221.542 -92.5967 GPRESSURE: 1008800 123.731 -88.9942 89.6703 -156.401 79.8661 -229.414 127.75 -186.147 -52.8626 PRESSAVG: 1008800 -5.88136 0.374986 19.5945 0.375182 -18.8958 15.726 19.5946 15.7259 25.3445 GPRESSAVG: 1008800 -6.08194 -1.11499 20.1565 1.64515 -19.7188 16.9671 18.4296 13.7608 25.7259 TIMING: 1008800 CPU: 3030.53, 0.00299979/step Wall: 3030.53, 0.00299979/step, 3.32576 hours remaining, 208.730469 MB of memory in use. ENERGY: 1008800 762.9552 2106.4510 1941.4694 110.9897 -206586.8275 17968.8154 0.0000 0.0000 34186.1877 -149509.9589 298.5565 -183696.1467 -149410.3414 299.1482 16.1692 50.2448 558053.1403 0.1891 -0.0250 PRESSURE: 1009000 5.61025 116.227 -72.0984 116.227 8.34937 40.9694 -72.0987 40.9702 -91.8885 GPRESSURE: 1009000 75.9528 160.557 -29.5865 44.1556 11.6707 58.8095 -58.3196 -20.3994 -68.4692 PRESSAVG: 1009000 -26.6363 -11.0231 -47.8075 -11.0231 -17.2074 -7.21655 -47.8074 -7.21663 28.5755 GPRESSAVG: 1009000 -25.9114 -10.3905 -48.0463 -11.557 -18.2245 -6.33194 -46.9991 -8.4292 29.2594 TIMING: 1009000 CPU: 3031.14, 0.00302304/step Wall: 3031.14, 0.00302304/step, 3.35138 hours remaining, 208.730469 MB of memory in use. ENERGY: 1009000 746.4979 2042.9386 1915.9320 118.6254 -206429.6340 17863.8793 0.0000 0.0000 34315.4169 -149426.3439 299.6851 -183741.7608 -149326.8659 298.3067 -25.9763 6.3848 557516.3317 -5.0894 -4.9588 PRESSURE: 1009200 60.297 117.008 172.046 117.008 -116.71 -35.6108 172.044 -35.6105 145.423 GPRESSURE: 1009200 84.8136 41.5114 171.721 142.281 -62.498 -58.3507 219.288 7.33198 170.492 PRESSAVG: 1009200 -41.6721 -25.1634 36.5367 -25.1634 49.4622 -18.4321 36.5367 -18.4321 17.5709 GPRESSAVG: 1009200 -42.7789 -24.4785 34.8188 -25.6537 50.4379 -18.8269 36.2543 -16.7285 17.994 TIMING: 1009200 CPU: 3031.75, 0.00304187/step Wall: 3031.75, 0.00304187/step, 3.37208 hours remaining, 208.730469 MB of memory in use. ENERGY: 1009200 748.2357 2107.7222 1879.5981 112.0596 -206120.4107 17676.5274 0.0000 0.0000 34463.0288 -149133.2390 300.9742 -183596.2678 -149035.0850 299.3174 29.6701 64.2691 556656.8271 8.4537 8.5510 PRESSURE: 1009400 -86.148 -39.1195 31.9447 -39.1182 -122.934 236.528 31.945 236.529 -133.698 GPRESSURE: 1009400 -104.9 -87.5293 88.0526 10.9642 -56.1296 194.016 -73.493 276.874 -89.6502 PRESSAVG: 1009400 -53.6574 14.4932 38.6297 14.4932 5.1277 11.1646 38.6298 11.1646 37.6923 GPRESSAVG: 1009400 -52.7932 13.1536 39.9041 15.9934 5.29862 10.5932 37.9386 10.9141 36.9706 TIMING: 1009400 CPU: 3032.35, 0.00303183/step Wall: 3032.35, 0.00303183/step, 3.36078 hours remaining, 208.730469 MB of memory in use. ENERGY: 1009400 759.7278 2055.1667 1935.3749 122.2045 -205942.8393 17578.8081 0.0000 0.0000 34264.0769 -149227.4804 299.2367 -183491.5573 -149126.6165 299.7117 -114.2603 -83.5601 557178.5426 -3.6125 -3.5080 PRESSURE: 1009600 -214.728 -20.9924 161.58 -20.9932 -94.4969 -64.0895 161.579 -64.0886 -201.457 GPRESSURE: 1009600 -178.408 40.339 153.277 -86.6967 -56.891 41.6186 108.465 -112.74 -183.458 PRESSAVG: 1009600 -52.4245 42.2569 34.0067 42.2568 84.6101 -1.51323 34.0068 -1.51321 -19.9015 GPRESSAVG: 1009600 -53.326 43.4885 33.0019 40.937 84.8471 0.174673 36.0747 -1.79166 -19.3643 TIMING: 1009600 CPU: 3032.96, 0.00302064/step Wall: 3032.96, 0.00302064/step, 3.34821 hours remaining, 208.730469 MB of memory in use. ENERGY: 1009600 788.6839 2101.4422 1890.1167 122.7318 -206153.5644 17635.5116 0.0000 0.0000 34183.4716 -149431.6065 298.5328 -183615.0780 -149338.3399 299.1058 -170.2272 -139.5857 557374.1944 4.0947 4.0523 PRESSURE: 1009800 -115.658 -37.7294 86.082 -37.7289 -185.805 78.5175 86.0818 78.5169 -56.6572 GPRESSURE: 1009800 -100.594 -25.308 53.4547 -24.0131 -139.629 137.009 138.89 42.5144 -25.654 PRESSAVG: 1009800 -64.3772 -12.6364 38.7288 -12.6364 57.5997 -42.978 38.7288 -42.9779 -38.3192 GPRESSAVG: 1009800 -64.319 -12.117 35.7872 -11.7667 58.1847 -43.9401 38.1577 -43.0338 -38.8292 TIMING: 1009800 CPU: 3033.57, 0.00304483/step Wall: 3033.57, 0.00304483/step, 3.37486 hours remaining, 208.730469 MB of memory in use. ENERGY: 1009800 790.5313 2092.5175 1929.7967 117.2438 -206227.0657 17707.4834 0.0000 0.0000 34223.7073 -149365.7857 298.8841 -183589.4929 -149270.2906 298.5800 -119.3734 -88.6258 555380.2082 -15.0322 -14.9878 PRESSURE: 1010000 54.7324 60.3475 32.214 60.3457 -190.283 144.327 32.2142 144.326 -10.1969 GPRESSURE: 1010000 61.1674 30.7638 83.2465 81.8957 -171.372 185.383 -17.0974 80.6344 68.919 PRESSAVG: 1010000 -36.5414 16.2078 20.8222 16.2078 71.9279 -20.2327 20.8222 -20.2327 -7.51932 GPRESSAVG: 1010000 -36.9533 13.6043 23.4265 18.6787 71.3132 -20.6502 20.1305 -21.2256 -6.62663 TIMING: 1010000 CPU: 3034.17, 0.00302629/step Wall: 3034.17, 0.00302629/step, 3.35413 hours remaining, 208.730469 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: 1010000 745.5089 2087.9168 1913.6068 105.6630 -206286.0911 17660.9186 0.0000 0.0000 34448.8866 -149323.5904 300.8507 -183772.4770 -149227.4051 299.4234 -48.5825 -13.7619 555962.7902 9.2890 9.2444 PRESSURE: 1010200 122.692 -54.0839 -55.5587 -54.0823 164.543 -109.412 -55.5584 -109.413 -72.5076 GPRESSURE: 1010200 157.788 4.155 -148.187 -73.8482 216.513 -75.5666 -25.938 -102.474 -62.5414 PRESSAVG: 1010200 -8.35319 -21.6059 32.0195 -21.6059 51.9187 22.1929 32.0194 22.1929 -38.6773 GPRESSAVG: 1010200 -7.44823 -20.6885 30.6664 -24.1022 51.4148 25.3523 32.4988 21.4611 -39.0563 TIMING: 1010200 CPU: 3034.78, 0.00305729/step Wall: 3034.78, 0.00305729/step, 3.38833 hours remaining, 208.730469 MB of memory in use. ENERGY: 1010200 706.4139 2187.4999 1917.3032 103.7545 -206551.6453 17880.6039 0.0000 0.0000 34502.0932 -149253.9767 301.3154 -183756.0699 -149153.9823 299.2880 71.5757 103.9198 556280.7669 1.6294 1.6368 PRESSURE: 1010400 216.581 -99.8648 46.727 -99.8648 262.494 -45.9831 46.7269 -45.9828 83.9949 GPRESSURE: 1010400 253.466 -121.441 -44.2793 -22.8387 252.15 -68.3212 93.9742 -17.4845 157.033 PRESSAVG: 1010400 -9.79731 28.3837 9.35141 28.3836 54.5365 -9.08725 9.35138 -9.08727 -42.001 GPRESSAVG: 1010400 -10.4098 28.2513 9.82534 30.5839 55.6063 -13.9026 9.32002 -8.10302 -42.5062 TIMING: 1010400 CPU: 3035.39, 0.00304393/step Wall: 3035.39, 0.00304393/step, 3.37336 hours remaining, 208.730469 MB of memory in use. ENERGY: 1010400 718.4473 2115.0287 1937.6914 114.1333 -206741.2653 18191.9051 0.0000 0.0000 34297.3401 -149366.7194 299.5272 -183664.0595 -149277.6023 299.7883 187.6899 220.8829 556729.3485 0.9127 0.8968 PRESSURE: 1010600 -53.3964 -103.496 162.727 -103.495 43.4488 84.8346 162.729 84.8348 -103.854 GPRESSURE: 1010600 -24.0281 -154.29 109.04 -78.2232 102.216 38.7576 169.827 63.2978 -99.4549 PRESSAVG: 1010600 67.015 38.1803 34.3523 38.1803 26.1504 -15.3586 34.3523 -15.3586 -70.3545 GPRESSAVG: 1010600 66.9895 39.4108 34.4622 37.1996 24.8933 -12.6989 33.3575 -14.4844 -69.0947 TIMING: 1010600 CPU: 3036, 0.00302906/step Wall: 3036, 0.00302906/step, 3.3567 hours remaining, 208.730469 MB of memory in use. ENERGY: 1010600 724.4458 2086.1453 1922.6866 107.7696 -206180.2894 17673.3975 0.0000 0.0000 34414.9472 -149250.8975 300.5543 -183665.8446 -149154.9954 299.2725 -37.9338 -7.0891 557191.0417 7.6036 7.5960 PRESSURE: 1010800 61.0747 51.8532 101.744 51.8534 -126.583 -161.703 101.743 -161.703 30.2346 GPRESSURE: 1010800 118.385 118.471 57.132 49.4729 -55.1292 -145.472 126.996 -153.183 2.9826 PRESSAVG: 1010800 9.93639 -8.62688 -37.0451 -8.62681 3.28549 58.16 -37.0451 58.1601 -30.2307 GPRESSAVG: 1010800 7.85074 -7.74096 -36.8859 -9.33281 5.4227 56.3315 -38.2508 57.1003 -30.51 TIMING: 1010800 CPU: 3036.6, 0.00301864/step Wall: 3036.6, 0.00301864/step, 3.34499 hours remaining, 208.730469 MB of memory in use. ENERGY: 1010800 754.7518 2095.9721 1949.4052 115.6934 -206193.2446 17810.6154 0.0000 0.0000 34304.9707 -149161.8360 299.5938 -183466.8067 -149065.7304 299.0892 -11.7579 22.0795 557075.0687 -5.6696 -5.7455 PRESSURE: 1011000 -4.1261 -385.592 -11.3843 -385.592 18.7647 -65.7619 -11.3847 -65.7614 104.244 GPRESSURE: 1011000 73.6078 -394.288 62.8265 -319.187 19.8784 52.1514 -73.0462 -105.109 124.876 PRESSAVG: 1011000 3.04196 14.1228 -31.995 14.1228 5.59692 -14.1851 -31.995 -14.1852 51.9294 GPRESSAVG: 1011000 4.96244 11.3991 -29.8914 14.8556 2.9757 -17.0189 -31.6274 -11.8841 52.4246 TIMING: 1011000 CPU: 3037.21, 0.00302551/step Wall: 3037.21, 0.00302551/step, 3.35244 hours remaining, 208.730469 MB of memory in use. ENERGY: 1011000 764.8654 2076.4716 1951.6725 107.1526 -206533.2639 18070.0632 0.0000 0.0000 34409.0043 -149154.0343 300.5024 -183563.0386 -149056.6859 299.2939 39.6276 72.7873 557405.8480 20.1894 20.1209 PRESSURE: 1011200 -77.9971 55.384 -35.8206 55.383 -282.448 29.3276 -35.8199 29.3289 112.712 GPRESSURE: 1011200 29.9057 141.962 -181.948 19.7586 -283.373 22.3174 47.3013 8.38593 91.273 PRESSAVG: 1011200 -3.03648 -12.1357 -33.2753 -12.1357 -26.71 -36.5371 -33.2753 -36.5373 5.17139 GPRESSAVG: 1011200 -3.74778 -12.4157 -34.2423 -12.0019 -25.8572 -32.1499 -32.2765 -39.2767 4.67266 TIMING: 1011200 CPU: 3037.81, 0.00301511/step Wall: 3037.81, 0.00301511/step, 3.34074 hours remaining, 208.730469 MB of memory in use. ENERGY: 1011200 740.0573 2124.7453 1920.2498 105.5632 -206119.2054 17652.6481 0.0000 0.0000 34155.6999 -149420.2418 298.2902 -183575.9417 -149322.5032 299.0742 -82.5777 -54.0647 557353.7537 -8.1917 -8.3108 PRESSURE: 1011400 46.3151 -40.927 -58.4265 -40.9277 183.146 -42.5469 -58.4273 -42.5462 -141.92 GPRESSURE: 1011400 114.622 -121.336 -92.2141 -73.5021 211.718 -57.3264 -83.1902 -100.826 -148.807 PRESSAVG: 1011400 -31.7504 -11.6261 -4.19526 -11.6261 19.4713 -1.8812 -4.19523 -1.88123 23.1462 GPRESSAVG: 1011400 -31.8083 -9.96776 -2.69506 -12.0465 20.4521 -0.762762 -4.65867 -3.53334 22.4267 TIMING: 1011400 CPU: 3038.41, 0.00301372/step Wall: 3038.41, 0.00301372/step, 3.33903 hours remaining, 208.730469 MB of memory in use. ENERGY: 1011400 746.6489 2086.5289 1932.1707 115.5727 -206487.0415 17978.9367 0.0000 0.0000 34377.1816 -149250.0020 300.2245 -183627.1836 -149155.2210 298.7923 29.1802 59.1778 556946.7199 3.6224 3.6902 PRESSURE: 1011600 11.7978 -106.938 57.4752 -106.939 -60.363 196.543 57.4763 196.543 84.4018 GPRESSURE: 1011600 24.2379 -138.653 12.6031 -129.565 -36.6045 154.944 139.393 98.5347 137.483 PRESSAVG: 1011600 -28.6251 31.8381 -15.6996 31.838 60.5976 11.3577 -15.6996 11.3577 -30.2071 GPRESSAVG: 1011600 -28.0906 29.8389 -16.6789 31.9114 59.4583 8.39082 -16.0757 14.1396 -30.1621 TIMING: 1011600 CPU: 3039.01, 0.00300983/step Wall: 3039.01, 0.00300983/step, 3.33456 hours remaining, 208.730469 MB of memory in use. ENERGY: 1011600 792.9942 2080.2831 1933.8626 120.4649 -206051.3189 17803.0313 0.0000 0.0000 34142.9179 -149177.7649 298.1786 -183320.6827 -149078.8510 299.0940 11.9455 41.7054 557190.3292 0.5885 0.4019 PRESSURE: 1011800 -237.519 69.8013 38.0145 69.8013 -52.3974 -19.9892 38.0131 -19.9898 -275.165 GPRESSURE: 1011800 -207.531 41.1458 96.2114 28.0313 -28.4311 -79.4904 -68.4128 105.353 -220.031 PRESSAVG: 1011800 -52.3776 -29.7985 32.9113 -29.7984 28.157 36.0234 32.9113 36.0234 39.226 GPRESSAVG: 1011800 -53.0897 -26.9949 31.7628 -30.6059 28.2172 37.688 35.4367 35.4029 40.269 TIMING: 1011800 CPU: 3039.62, 0.00301922/step Wall: 3039.62, 0.00301922/step, 3.34479 hours remaining, 208.730469 MB of memory in use. ENERGY: 1011800 800.2602 2117.1738 1923.2797 113.8867 -206158.2019 17671.4177 0.0000 0.0000 34375.2720 -149156.9117 300.2078 -183532.1837 -149063.0362 298.8786 -188.3607 -151.9980 557536.1899 5.0018 5.1322 PRESSURE: 1012000 -36.5758 -96.6267 -61.6259 -96.6252 98.0896 42.6437 -61.6253 42.6425 75.1907 GPRESSURE: 1012000 -56.5394 -99.4086 20.4899 -33.003 142.635 46.2378 -86.0363 29.5895 137.834 PRESSAVG: 1012000 -23.2344 26.6095 -4.97247 26.6094 35.9499 29.9733 -4.97246 29.9733 -13.9965 GPRESSAVG: 1012000 -23.6389 25.2602 -4.34665 27.8005 35.7088 28.9674 -6.35416 30.7154 -13.5937 TIMING: 1012000 CPU: 3040.22, 0.00302342/step Wall: 3040.22, 0.00302342/step, 3.34928 hours remaining, 208.730469 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: 1012000 730.0050 2133.4537 1938.6282 120.1125 -205773.5384 17593.3704 0.0000 0.0000 34145.4004 -149112.5682 298.2003 -183257.9686 -149018.2205 298.5921 45.5682 74.6432 557137.1791 -0.4270 -0.5079 PRESSURE: 1012200 -190.647 -144.307 57.151 -144.308 -110.282 -12.8349 57.151 -12.8357 -62.0832 GPRESSURE: 1012200 -169.689 -3.82125 46.4469 -182.574 -72.9461 6.54875 109.843 -4.96942 -25.7251 PRESSAVG: 1012200 45.097 -24.3245 -14.5762 -24.3245 -2.25305 20.707 -14.5763 20.707 -2.58541 GPRESSAVG: 1012200 46.2703 -22.1814 -15.8847 -25.0158 -1.07845 18.1886 -13.2082 23.1872 -4.55304 TIMING: 1012200 CPU: 3040.83, 0.00302759/step Wall: 3040.83, 0.00302759/step, 3.35373 hours remaining, 208.730469 MB of memory in use. ENERGY: 1012200 795.9482 2033.6063 1929.5065 120.2562 -206181.8904 17823.2054 0.0000 0.0000 34264.2315 -149215.1362 299.2381 -183479.3677 -149113.4131 300.0666 -121.0042 -89.4532 557729.8531 13.4195 13.5463 LDB: ============= START OF LOAD BALANCING ============== 3044.35 LDB: ============== END OF LOAD BALANCING =============== 3044.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3044.35 LDB: ============= START OF LOAD BALANCING ============== 3044.65 LDB: Largest compute 4794 load 0.027596 is 23.4% of average load 0.117973 LDB: Average compute 0.001728 is 1.5% of average load 0.117973 LDB: TIME 3044.66 LOAD: AVG 0.117973 MAX 0.210213 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.184 MB LDB: TIME 3044.66 LOAD: AVG 0.117973 MAX 0.210213 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.184 MB LDB: TIME 3044.66 LOAD: AVG 0.117973 MAX 0.210213 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.184 MB LDB: ============== END OF LOAD BALANCING =============== 3044.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3044.66 PRESSURE: 1012400 163.093 -16.6794 15.8021 -16.6795 110.366 -69.9017 15.8024 -69.9025 -211.847 GPRESSURE: 1012400 234.277 0.358883 10.5245 -36.8528 91.1983 -76.5103 25.5858 -63.1806 -160.285 PRESSAVG: 1012400 -15.4825 5.82113 6.90498 5.82107 7.91972 -1.07005 6.90488 -1.07008 -8.81213 GPRESSAVG: 1012400 -14.3937 5.69638 5.96967 7.74842 6.21755 2.84073 4.61231 -6.06168 -8.03928 TIMING: 1012400 CPU: 3041.45, 0.00308472/step Wall: 3041.45, 0.00308472/step, 3.41684 hours remaining, 208.199219 MB of memory in use. ENERGY: 1012400 762.1885 2073.3773 1942.7396 108.9679 -206202.6296 17810.7771 0.0000 0.0000 34301.3167 -149203.2626 299.5619 -183504.5793 -149106.5854 298.7669 20.5373 55.0634 557508.3706 -5.4583 -5.4052 PRESSURE: 1012600 -62.7485 126.442 64.5276 126.442 -117.489 -24.0587 64.5281 -24.0587 100.03 GPRESSURE: 1012600 2.45109 117.117 129.031 201.692 -82.8775 38.8836 -38.1997 -63.9571 86.2034 PRESSAVG: 1012600 25.2326 10.5079 -37.1379 10.508 15.9326 4.86271 -37.138 4.86276 -47.4054 GPRESSAVG: 1012600 24.8118 9.91396 -35.4572 8.45186 16.0988 3.11242 -38.6651 7.77563 -46.8785 TIMING: 1012600 CPU: 3042.05, 0.00302009/step Wall: 3042.05, 0.00302009/step, 3.34509 hours remaining, 208.402344 MB of memory in use. ENERGY: 1012600 749.4990 2070.9529 1913.7830 111.6899 -206150.6307 17754.7584 0.0000 0.0000 34230.4730 -149319.4746 298.9432 -183549.9477 -149230.4149 299.1628 -26.7359 1.9256 557774.9916 -2.0801 -1.9893 PRESSURE: 1012800 -77.4471 -46.9937 -106.217 -46.9929 87.0698 -6.04329 -106.218 -6.04528 -714.322 GPRESSURE: 1012800 -63.237 49.9838 -8.2747 -42.3897 118.148 -26.9283 -102.99 36.3156 -648.371 PRESSAVG: 1012800 85.8609 15.338 -59.7962 15.3378 -6.07832 -99.722 -59.7963 -99.7222 -109.319 GPRESSAVG: 1012800 84.8 14.712 -60.3786 18.051 -5.60872 -98.3631 -57.8545 -101.869 -108.881 TIMING: 1012800 CPU: 3042.65, 0.00300707/step Wall: 3042.65, 0.00300707/step, 3.3305 hours remaining, 208.402344 MB of memory in use. ENERGY: 1012800 735.9025 2078.5709 1923.6815 110.8201 -205893.4093 17441.4019 0.0000 0.0000 34221.8587 -149381.1738 298.8680 -183603.0325 -149277.1903 298.7599 -234.8997 -197.8201 558567.3514 -9.8455 -9.8965 PRESSURE: 1013000 -4.82538 -32.943 4.96018 -32.9428 71.1554 -48.5488 4.96115 -48.5495 94.7896 GPRESSURE: 1013000 -28.3118 -56.3617 0.402551 -35.8975 124.221 -70.7814 37.9386 -70.7732 151.23 PRESSAVG: 1013000 3.78278 51.6827 -5.30364 51.6826 -9.22428 -53.4948 -5.30373 -53.4947 12.5708 GPRESSAVG: 1013000 4.79017 53.8863 -2.5303 51.2025 -8.98685 -54.4691 -5.77396 -51.8083 11.5428 TIMING: 1013000 CPU: 3043.25, 0.00300111/step Wall: 3043.25, 0.00300111/step, 3.32373 hours remaining, 208.402344 MB of memory in use. ENERGY: 1013000 763.2238 2071.5297 1944.9760 112.1335 -206382.8831 17930.8712 0.0000 0.0000 34226.6349 -149333.5140 298.9097 -183560.1490 -149230.7721 299.0822 53.7065 82.3800 557902.5097 2.3764 2.4487 PRESSURE: 1013200 -327.441 -64.3521 200.614 -64.3516 -85.0175 24.2943 200.613 24.2916 -53.8127 GPRESSURE: 1013200 -284.531 -65.2588 146.184 -7.91448 -84.1563 47.3862 230.323 29.1363 -3.67419 PRESSAVG: 1013200 -10.1822 -15.7875 -2.37347 -15.7876 15.0952 26.6917 -2.37356 26.6916 -0.685803 GPRESSAVG: 1013200 -11.0298 -16.2963 -4.40155 -16.1701 14.9522 28.1327 -2.09155 26.4618 -0.0917425 TIMING: 1013200 CPU: 3043.85, 0.00300308/step Wall: 3043.85, 0.00300308/step, 3.32574 hours remaining, 208.402344 MB of memory in use. ENERGY: 1013200 758.7052 2108.8174 1930.4928 113.5242 -206155.4787 17650.4757 0.0000 0.0000 34339.1203 -149254.3431 299.8921 -183593.4634 -149160.4146 299.5571 -155.4238 -124.1205 557704.8575 1.4090 1.2769 PRESSURE: 1013400 -113.916 -72.3367 -21.2431 -72.3368 161.646 90.5976 -21.2453 90.5976 47.7723 GPRESSURE: 1013400 -54.0341 -96.0439 -78.0941 -3.37106 163.88 152.037 50.3684 101.133 81.3384 PRESSAVG: 1013400 -67.8853 -4.34814 -46.1585 -4.34816 48.3845 12.688 -46.1585 12.6882 25.1932 GPRESSAVG: 1013400 -67.0057 -4.53346 -45.5976 -5.22165 47.0016 11.6354 -45.2221 12.3388 25.911 TIMING: 1013400 CPU: 3044.46, 0.00303086/step Wall: 3044.46, 0.00303086/step, 3.35634 hours remaining, 208.402344 MB of memory in use. ENERGY: 1013400 767.4820 2101.6118 1931.4624 104.0434 -206242.4753 17917.9402 0.0000 0.0000 34200.0440 -149219.8914 298.6775 -183419.9354 -149125.7577 299.3839 31.8341 63.7281 557791.4474 1.8974 1.9690 PRESSURE: 1013600 22.7355 126.674 -33.001 126.674 205.024 -61.69 -33.0007 -61.6886 196.852 GPRESSURE: 1013600 47.0238 128.848 54.523 135.905 300.472 70.2571 -167.449 -128.221 171.317 PRESSAVG: 1013600 9.55016 -12.5238 3.28638 -12.5239 25.1929 36.4747 3.28639 36.4747 3.50736 GPRESSAVG: 1013600 9.12757 -14.1786 4.39871 -10.934 26.8501 36.0597 1.03394 37.0876 2.08714 TIMING: 1013600 CPU: 3045.06, 0.00303446/step Wall: 3045.06, 0.00303447/step, 3.36016 hours remaining, 208.402344 MB of memory in use. ENERGY: 1013600 736.5946 2071.8231 1905.6818 108.7695 -206527.6745 18131.7369 0.0000 0.0000 34081.1361 -149491.9325 297.6390 -183573.0687 -149393.7430 298.4347 141.5372 172.9374 557256.4380 12.7501 12.6883 PRESSURE: 1013800 100.466 -78.9853 46.2038 -78.9854 -97.4544 -114.475 46.2042 -114.475 -5.62808 GPRESSURE: 1013800 106.066 -2.74951 -100.101 -112.294 -9.37936 -115.906 69.6155 -153.239 17.5488 PRESSAVG: 1013800 1.7907 15.8466 60.7384 15.8465 32.4501 -26.9638 60.7385 -26.9639 -21.7178 GPRESSAVG: 1013800 1.30774 17.9395 57.5821 15.188 32.5122 -26.7938 61.7708 -27.326 -21.3143 TIMING: 1013800 CPU: 3045.66, 0.00299572/step Wall: 3045.66, 0.00299572/step, 3.3171 hours remaining, 208.402344 MB of memory in use. ENERGY: 1013800 700.2794 2093.0088 1920.5466 120.0002 -206109.9715 17840.1144 0.0000 0.0000 33920.2254 -149515.7967 296.2338 -183436.0221 -149416.1482 297.5643 -0.8723 38.0785 559578.3905 4.1743 4.1685 PRESSURE: 1014000 -225.466 11.3597 53.7218 11.3592 289.883 100.741 53.7225 100.743 149.628 GPRESSURE: 1014000 -201.981 48.4309 167.092 12.9743 307.497 118.63 14.0331 66.9222 218.034 PRESSAVG: 1014000 -25.6833 -72.3194 3.90405 -72.3195 20.8347 -22.7748 3.9041 -22.7747 23.2922 GPRESSAVG: 1014000 -25.993 -73.7008 4.67491 -73.0041 21.2296 -22.4115 5.0781 -22.675 23.1753 TIMING: 1014000 CPU: 3046.27, 0.00300626/step Wall: 3046.27, 0.00300626/step, 3.3286 hours remaining, 208.660156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1014000 730.4958 2069.7745 1939.9450 117.4370 -206336.0558 18051.8095 0.0000 0.0000 33922.0466 -149504.5475 296.2497 -183426.5941 -149407.9136 297.8971 71.3481 107.8500 558130.2122 6.1479 6.1373 PRESSURE: 1014200 -229.731 -49.8583 -6.44453 -49.8588 206.482 9.81253 -6.44502 9.81288 -420.011 GPRESSURE: 1014200 -156.785 -82.2079 -69.9234 24.6906 201.497 -29.2964 -11.4971 109.694 -377.736 PRESSAVG: 1014200 -70.2483 -34.6496 -24.7053 -34.6496 27.1417 18.3071 -24.7053 18.307 -3.38065 GPRESSAVG: 1014200 -69.5371 -32.9931 -25.133 -32.8624 27.2952 18.4317 -24.8235 19.2022 -4.30187 TIMING: 1014200 CPU: 3046.86, 0.00299475/step Wall: 3046.86, 0.00299475/step, 3.31569 hours remaining, 208.660156 MB of memory in use. ENERGY: 1014200 763.8434 2125.8859 1952.3968 110.1718 -206218.0395 17772.0882 0.0000 0.0000 34025.3957 -149468.2576 297.1522 -183493.6534 -149375.0592 298.2395 -147.7535 -111.0079 556838.5692 -15.4957 -15.5146 PRESSURE: 1014400 -375.698 74.8173 70.551 74.8174 -178.698 -4.85389 70.5507 -4.85382 -112.375 GPRESSURE: 1014400 -327.622 80.5853 63.3753 46.8055 -190.439 6.20671 152.73 36.503 -28.9226 PRESSAVG: 1014400 -14.438 -7.79814 -23.5926 -7.79812 49.9516 -28.9419 -23.5925 -28.9419 -8.41221 GPRESSAVG: 1014400 -13.6587 -9.57585 -23.3742 -9.45589 49.4578 -30.3327 -22.7469 -28.4383 -8.72824 TIMING: 1014400 CPU: 3047.46, 0.0029989/step Wall: 3047.46, 0.0029989/step, 3.32012 hours remaining, 208.660156 MB of memory in use. ENERGY: 1014400 775.3171 2195.3339 1968.6183 123.9793 -206247.6181 17689.1083 0.0000 0.0000 34139.2527 -149356.0084 298.1466 -183495.2610 -149255.4611 298.8629 -222.2572 -182.3278 558011.1326 9.0338 9.0236 PRESSURE: 1014600 139.091 74.2333 145.343 74.2333 -6.66369 23.1163 145.344 23.118 386.297 GPRESSURE: 1014600 206.38 75.5278 173.611 22.4463 34.0905 97.9911 130.591 -39.9212 370.826 PRESSAVG: 1014600 -70.5596 1.17843 -21.9913 1.17842 53.588 -16.2688 -21.9913 -16.2688 24.6411 GPRESSAVG: 1014600 -71.8265 3.99037 -20.783 0.989594 53.8227 -16.3406 -21.9096 -15.8218 25.5803 TIMING: 1014600 CPU: 3048.06, 0.00298048/step Wall: 3048.06, 0.00298048/step, 3.29956 hours remaining, 208.660156 MB of memory in use. ENERGY: 1014600 751.7214 2073.0366 1944.3504 107.6243 -206537.0729 18146.0055 0.0000 0.0000 34148.1676 -149366.1672 298.2244 -183514.3347 -149274.6468 298.4236 172.9080 203.7655 557425.5269 2.5565 2.5255 PRESSURE: 1014800 -50.8526 306.807 45.9944 306.808 157.445 -169.648 45.9938 -169.649 197.179 GPRESSURE: 1014800 2.42233 264.362 -58.5581 277.149 139.49 -118.567 150.405 -286.382 263.452 PRESSAVG: 1014800 -4.87344 57.1469 -7.5678 57.1469 2.54868 1.82035 -7.56784 1.82044 52.5737 GPRESSAVG: 1014800 -5.4525 55.2241 -7.72004 58.6399 2.52654 2.30225 -9.62239 1.16571 53.2611 TIMING: 1014800 CPU: 3048.66, 0.00301416/step Wall: 3048.66, 0.00301416/step, 3.33667 hours remaining, 208.660156 MB of memory in use. ENERGY: 1014800 756.2322 2045.0079 1932.4413 117.8451 -206311.3665 18027.0645 0.0000 0.0000 34263.8136 -149168.9620 299.2344 -183432.7756 -149075.2441 299.1599 101.2570 135.1213 558140.3735 16.7496 16.7784 PRESSURE: 1015000 149.071 -33.8647 -102.89 -33.8645 92.9691 0.846214 -102.89 0.846462 183.262 GPRESSURE: 1015000 155.97 -90.3978 -76.0908 -68.7529 133.403 18.4407 -119.327 7.52256 232.322 PRESSAVG: 1015000 -4.03296 3.4639 17.3131 3.46386 26.3809 -51.0506 17.3131 -51.0506 -5.33372 GPRESSAVG: 1015000 -3.15558 3.80876 15.2991 2.20867 26.6956 -52.4382 18.7159 -51.2972 -6.8176 TIMING: 1015000 CPU: 3049.27, 0.00302929/step Wall: 3049.27, 0.00302929/step, 3.35326 hours remaining, 208.660156 MB of memory in use. ENERGY: 1015000 751.5033 2073.0067 1953.9866 112.6535 -206059.4491 17807.0564 0.0000 0.0000 34387.9757 -148973.2668 300.3187 -183361.2425 -148875.5660 299.5629 141.7673 173.8984 558136.1968 5.6714 5.5741 PRESSURE: 1015200 255.681 27.7428 -61.0295 27.7439 -225.935 -98.8797 -61.0299 -98.8805 28.4243 GPRESSURE: 1015200 262.185 5.63583 26.0923 62.0159 -175.606 -168.336 -140.183 -23.9482 64.0884 PRESSAVG: 1015200 -18.948 71.3802 -25.2896 71.3802 -16.0407 -55.5667 -25.2898 -55.5667 -17.7996 GPRESSAVG: 1015200 -19.2435 70.1423 -23.2059 71.1087 -16.7223 -54.2379 -26.217 -57.259 -17.4068 TIMING: 1015200 CPU: 3049.88, 0.00303706/step Wall: 3049.88, 0.00303706/step, 3.36169 hours remaining, 208.660156 MB of memory in use. ENERGY: 1015200 750.6559 2105.3087 1944.8606 108.2085 -205938.9861 17832.1033 0.0000 0.0000 34251.5191 -148946.3300 299.1270 -183197.8491 -148853.2998 299.4572 19.3900 50.2225 558119.0576 -17.5961 -17.7909 PRESSURE: 1015400 -29.1074 26.7324 44.8278 26.7327 139.48 -63.2158 44.8265 -63.215 -93.4532 GPRESSURE: 1015400 -19.5127 68.8813 70.8257 -66.6438 203.896 -43.3828 72.9528 -25.1882 -62.5264 PRESSAVG: 1015400 101.016 29.7947 15.753 29.7947 35.6186 39.1163 15.7529 39.1163 -74.4128 GPRESSAVG: 1015400 100.457 29.6031 14.1584 30.2887 35.9123 41.0084 17.6466 38.7609 -74.1641 TIMING: 1015400 CPU: 3050.48, 0.00303003/step Wall: 3050.48, 0.00303003/step, 3.35374 hours remaining, 208.660156 MB of memory in use. ENERGY: 1015400 729.1567 2068.9000 1930.8553 108.8139 -205840.3413 17777.2425 0.0000 0.0000 34208.3913 -149016.9815 298.7504 -183225.3728 -148917.8162 300.0670 5.6397 40.6188 557640.7270 20.7408 20.7349 PRESSURE: 1015600 -226.685 69.1524 62.5973 69.1522 64.2269 -198.814 62.5981 -198.816 -315.417 GPRESSURE: 1015600 -119.52 65.6914 128.755 110.196 24.0895 -96.8896 22.6011 -243.966 -273.492 PRESSAVG: 1015600 22.2792 43.7689 44.4133 43.7689 -42.2602 -52.3105 44.4132 -52.3104 2.02603 GPRESSAVG: 1015600 22.4708 43.3945 46.5109 43.6382 -43.0681 -51.4261 41.6887 -53.5816 2.22281 TIMING: 1015600 CPU: 3051.08, 0.00300962/step Wall: 3051.08, 0.00300962/step, 3.33099 hours remaining, 208.660156 MB of memory in use. ENERGY: 1015600 725.2509 2055.5804 1909.0544 114.7563 -205797.7873 17672.9293 0.0000 0.0000 34358.0175 -148962.1986 300.0571 -183320.2160 -148872.9496 299.9528 -159.2917 -122.9741 557734.4480 -5.9850 -6.1248 PRESSURE: 1015800 -176.243 -53.2905 -65.9828 -53.2918 208.259 -57.9827 -65.9823 -57.9827 107.58 GPRESSURE: 1015800 -161.357 -87.6338 -17.2496 -75.2454 215.993 -106.097 -37.8094 -109.852 169.906 PRESSAVG: 1015800 62.749 -9.83272 45.732 -9.83275 59.1473 -26.0794 45.732 -26.0795 -76.7139 GPRESSAVG: 1015800 63.2944 -7.77519 45.5271 -10.0265 59.3756 -30.0356 48.1748 -22.223 -77.7259 TIMING: 1015800 CPU: 3051.68, 0.00298977/step Wall: 3051.68, 0.00298977/step, 3.30884 hours remaining, 208.660156 MB of memory in use. ENERGY: 1015800 754.7075 2090.6554 1927.6209 113.1444 -205911.8133 17882.8681 0.0000 0.0000 34181.7175 -148961.0995 298.5174 -183142.8170 -148869.4469 299.7529 46.5320 74.8470 557827.9839 15.0608 14.9813 PRESSURE: 1016000 -278.584 9.4965 -0.877741 9.49692 5.40496 193.33 -0.877565 193.33 -284.096 GPRESSURE: 1016000 -259.254 -23.0797 29.0764 85.32 60.3017 182.66 -142.469 107.617 -267.03 PRESSAVG: 1016000 -42.4308 -87.1351 63.8395 -87.135 105.085 -2.7424 63.8397 -2.74242 -63.3006 GPRESSAVG: 1016000 -43.0453 -89.2887 64.0066 -84.7091 106.087 -2.12281 60.8581 -4.35338 -63.526 TIMING: 1016000 CPU: 3052.29, 0.00303759/step Wall: 3052.29, 0.00303759/step, 3.3616 hours remaining, 208.660156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1016000 760.1689 2069.0416 1937.3789 112.3210 -205841.2549 17652.8183 0.0000 0.0000 34425.9135 -148883.6128 300.6501 -183309.5263 -148782.4216 300.1528 -185.7582 -155.3276 558558.4980 -0.2153 -0.1613 PRESSURE: 1016200 -109.946 -29.5209 -77.3466 -29.5214 119.052 -177.03 -77.3476 -177.032 -46.61 GPRESSURE: 1016200 -63.6341 -7.03378 -102.811 6.63661 165.776 -174.14 -149.094 -228.968 -39.4473 PRESSAVG: 1016200 17.0324 17.0327 -18.5482 17.0327 31.636 -10.8573 -18.5482 -10.8574 -56.9688 GPRESSAVG: 1016200 17.3647 16.7745 -20.5383 14.6409 31.4363 -12.5057 -16.7549 -10.6876 -56.6196 TIMING: 1016200 CPU: 3052.89, 0.00298791/step Wall: 3052.89, 0.00298791/step, 3.30646 hours remaining, 208.660156 MB of memory in use. ENERGY: 1016200 743.7195 2062.7761 1929.2684 111.1710 -205916.4997 17719.9102 0.0000 0.0000 34309.5765 -149040.0781 299.6341 -183349.6546 -148936.6198 299.3526 -12.5013 20.8982 558593.8553 -2.7668 -2.6062 LDB: ============= START OF LOAD BALANCING ============== 3056.41 LDB: ============== END OF LOAD BALANCING =============== 3056.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3056.41 LDB: ============= START OF LOAD BALANCING ============== 3056.72 LDB: Largest compute 4800 load 0.028077 is 23.8% of average load 0.117929 LDB: Average compute 0.001736 is 1.5% of average load 0.117929 LDB: TIME 3056.72 LOAD: AVG 0.117929 MAX 0.208685 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.406 MB LDB: TIME 3056.72 LOAD: AVG 0.117929 MAX 0.208685 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.609 MB LDB: TIME 3056.72 LOAD: AVG 0.117929 MAX 0.208685 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.609 MB LDB: ============== END OF LOAD BALANCING =============== 3056.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3056.72 PRESSURE: 1016400 -129.356 -66.2443 111.845 -66.2453 -119.49 127.78 111.845 127.781 -318.49 GPRESSURE: 1016400 -77.7093 -119.847 88.2279 -61.5498 -104.662 162.805 51.5491 159.805 -284.251 PRESSAVG: 1016400 -18.4093 12.4074 12.0632 12.4074 5.71449 20.4304 12.0631 20.4304 2.28455 GPRESSAVG: 1016400 -17.4029 14.4801 12.0612 12.7929 4.76357 23.3025 11.9173 19.7113 1.83912 TIMING: 1016400 CPU: 3053.51, 0.00310205/step Wall: 3053.51, 0.00310205/step, 3.43259 hours remaining, 208.460938 MB of memory in use. ENERGY: 1016400 744.2235 2093.0092 1919.2155 114.2898 -205780.3152 17545.3895 0.0000 0.0000 34342.4975 -149021.6903 299.9216 -183364.1877 -148923.1336 300.1543 -189.1120 -155.5408 559591.4586 -3.4701 -3.6001 PRESSURE: 1016600 -65.256 37.251 67.7632 37.2519 20.2648 -24.7995 67.7628 -24.7977 -149.12 GPRESSURE: 1016600 -33.1848 0.75946 61.4908 80.4805 19.341 -125.865 40.6736 24.7835 -73.2743 PRESSAVG: 1016600 -7.36325 29.9243 -4.42336 29.9243 45.0648 65.6194 -4.42345 65.6195 -67.1831 GPRESSAVG: 1016600 -7.51913 29.4415 -5.65237 30.6166 45.7792 65.4448 -2.61037 64.1698 -67.9063 TIMING: 1016600 CPU: 3054.11, 0.00302115/step Wall: 3054.11, 0.00302115/step, 3.3429 hours remaining, 208.664062 MB of memory in use. ENERGY: 1016600 770.6268 2104.7676 1915.4804 113.0708 -206065.5128 17599.5336 0.0000 0.0000 34305.2355 -149256.7982 299.5962 -183562.0336 -149158.5377 299.7513 -64.7037 -29.0394 557334.3566 -9.8272 -9.8821 PRESSURE: 1016800 177.218 38.9382 -153.676 38.9385 143.232 96.2231 -153.677 96.2225 -21.2145 GPRESSURE: 1016800 196.871 69.1872 -239.663 -53.3705 183.935 144.687 -175.094 85.7527 15.9045 PRESSAVG: 1016800 -14.3217 19.0285 0.0241298 19.0284 77.5461 -32.0963 0.0240878 -32.0964 -88.9771 GPRESSAVG: 1016800 -15.5698 20.5658 1.10663 18.0777 76.6053 -31.776 -0.67166 -29.7112 -87.013 TIMING: 1016800 CPU: 3054.71, 0.00297436/step Wall: 3054.71, 0.00297436/step, 3.29097 hours remaining, 208.664062 MB of memory in use. ENERGY: 1016800 736.2262 2160.4194 1894.7373 106.5793 -206314.4978 17858.1821 0.0000 0.0000 34333.6749 -149224.6786 299.8445 -183558.3535 -149125.7001 299.7599 99.7453 132.2369 556624.8605 -8.5843 -8.6592 PRESSURE: 1017000 -92.6944 45.0821 5.74311 45.0818 51.8519 47.5773 5.74379 47.5785 -21.5169 GPRESSURE: 1017000 -56.7653 5.23712 30.3981 127.802 83.4842 28.8003 -116.732 67.5119 9.34777 PRESSAVG: 1017000 3.96732 -18.3286 2.79306 -18.3286 -27.5292 12.0408 2.79309 12.0407 -6.65422 GPRESSAVG: 1017000 4.64313 -21.5664 4.64315 -17.8449 -27.3969 12.4783 1.88426 11.6074 -7.42565 TIMING: 1017000 CPU: 3055.3, 0.00298754/step Wall: 3055.3, 0.00298754/step, 3.30538 hours remaining, 208.664062 MB of memory in use. ENERGY: 1017000 748.2265 2120.9317 1918.0964 104.0735 -206324.5414 17931.9122 0.0000 0.0000 34323.5289 -149177.7722 299.7559 -183501.3012 -149088.9652 300.0208 -20.7864 12.0222 559252.5762 -10.0720 -10.0598 PRESSURE: 1017200 146.316 -15.3819 98.205 -15.3809 -174.816 42.7082 98.2062 42.7077 -18.3586 GPRESSURE: 1017200 167.59 -68.6431 63.0951 37.6805 -110.195 -0.00169457 141.019 2.36972 -0.441293 PRESSAVG: 1017200 6.34901 18.4929 77.0424 18.4929 24.6565 54.3784 77.0424 54.3782 -26.5429 GPRESSAVG: 1017200 6.95131 18.694 76.1835 17.2759 25.1768 58.0045 78.5482 52.4135 -27.1085 TIMING: 1017200 CPU: 3055.9, 0.00300112/step Wall: 3055.9, 0.00300112/step, 3.32024 hours remaining, 208.664062 MB of memory in use. ENERGY: 1017200 727.1590 2082.1716 1932.9044 142.8580 -206426.5393 17721.5441 0.0000 0.0000 34598.7467 -149221.1554 302.1595 -183819.9021 -149124.4558 299.3609 -15.6196 18.9843 558529.2239 1.4875 1.6732 PRESSURE: 1017400 76.9369 79.2281 1.62609 79.2287 222.472 84.4031 1.6259 84.4023 -203.814 GPRESSURE: 1017400 62.1109 49.1323 10.8032 124.393 311.567 98.3027 18.5592 52.0715 -173.708 PRESSAVG: 1017400 -19.2761 37.1095 -3.28359 37.1097 39.6047 -7.6922 -3.28365 -7.6922 -16.5843 GPRESSAVG: 1017400 -19.9211 37.9026 -4.04071 37.1771 39.8503 -11.7757 -2.59054 -4.98616 -16.9614 TIMING: 1017400 CPU: 3056.51, 0.00300984/step Wall: 3056.51, 0.00300984/step, 3.32972 hours remaining, 208.664062 MB of memory in use. ENERGY: 1017400 778.8661 2086.0325 1934.8325 109.9542 -206533.3110 18110.7584 0.0000 0.0000 34232.4044 -149280.4629 298.9601 -183512.8672 -149182.4288 299.4517 31.8649 66.6568 558237.7719 1.2481 0.9893 PRESSURE: 1017600 -351.49 24.9962 63.5374 24.9963 46.5128 18.1023 63.5371 18.1019 -60.8713 GPRESSURE: 1017600 -307.579 -93.0578 21.5835 79.7554 46.4257 139.946 92.0236 -86.1055 -16.7814 PRESSAVG: 1017600 -20.9331 17.5661 4.01258 17.5661 32.97 12.2847 4.01251 12.2846 -27.9297 GPRESSAVG: 1017600 -20.7378 19.4322 5.69165 19.5808 32.4753 14.347 1.93991 10.1693 -26.9786 TIMING: 1017600 CPU: 3057.12, 0.00308825/step Wall: 3057.12, 0.00308825/step, 3.41629 hours remaining, 208.664062 MB of memory in use. ENERGY: 1017600 788.9125 2068.4806 1946.0543 98.9987 -205894.7020 17635.2403 0.0000 0.0000 34061.7779 -149295.2378 297.4700 -183357.0157 -149197.2400 299.6275 -121.9496 -92.6449 558370.4324 -5.2976 -5.0804 PRESSURE: 1017800 -188.939 17.2639 -108.967 17.2639 -31.7995 -95.1964 -108.968 -95.1976 89.3992 GPRESSURE: 1017800 -115.962 33.5507 -128.041 71.2283 -23.8911 -16.9369 -192.082 -122.663 101.926 PRESSAVG: 1017800 9.06223 34.6124 -17.3798 34.6123 -34.2212 -17.1159 -17.3799 -17.1158 4.62724 GPRESSAVG: 1017800 9.62739 35.9999 -19.339 31.3935 -34.3908 -16.5897 -16.8515 -16.0118 4.71516 TIMING: 1017800 CPU: 3057.74, 0.00306095/step Wall: 3057.74, 0.00306095/step, 3.38593 hours remaining, 208.664062 MB of memory in use. ENERGY: 1017800 721.8575 2143.7298 1944.4127 120.0450 -206268.2898 17861.5321 0.0000 0.0000 34264.9884 -149211.7243 299.2447 -183476.7126 -149119.2450 298.7652 -43.7796 -12.6424 557258.2684 -6.8439 -6.6827 PRESSURE: 1018000 212.824 128.436 -35.4005 128.435 -55.7248 9.34892 -35.4002 9.34849 212.67 GPRESSURE: 1018000 232.218 58.1758 18.9364 184.32 -2.5504 -85.9243 -47.5478 -16.0185 248.598 PRESSAVG: 1018000 33.9925 22.2114 -12.0549 22.2115 -2.88224 -20.0453 -12.0549 -20.0454 -1.67388 GPRESSAVG: 1018000 34.2793 20.2691 -10.9574 24.0481 -3.62953 -21.6553 -13.4967 -20.3892 -1.43611 TIMING: 1018000 CPU: 3058.34, 0.00303143/step Wall: 3058.34, 0.00303143/step, 3.3531 hours remaining, 208.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1018000 728.1988 2122.9738 1929.8659 105.9135 -206572.1041 17990.5152 0.0000 0.0000 34430.8469 -149263.7901 300.6931 -183694.6369 -149162.4929 299.6876 123.2565 159.4221 556831.4455 9.8121 9.7379 PRESSURE: 1018200 246 -99.7669 -55.1556 -99.768 31.3226 -47.4128 -55.1551 -47.4121 10.9559 GPRESSURE: 1018200 285.227 -155.712 5.40161 -113.813 33.3027 -17.8561 -55.5361 -65.8148 73.5663 PRESSAVG: 1018200 -56.898 42.3141 -7.11517 42.3142 -29.6699 -37.4799 -7.11518 -37.4798 22.4516 GPRESSAVG: 1018200 -56.8838 42.0967 -4.43582 41.7024 -28.2642 -38.1304 -7.7946 -36.3526 20.7266 TIMING: 1018200 CPU: 3058.95, 0.00303387/step Wall: 3058.95, 0.00303387/step, 3.35563 hours remaining, 208.664062 MB of memory in use. ENERGY: 1018200 745.8898 2051.6045 1920.4944 123.1784 -206360.7422 17981.2918 0.0000 0.0000 34277.7592 -149260.5240 299.3562 -183538.2833 -149167.1691 299.5899 96.0928 130.6985 556353.8302 -21.3721 -21.4738 PRESSURE: 1018400 -72.7308 39.0017 93.9709 39.0024 283.876 15.0048 93.9695 15.0045 -144.417 GPRESSURE: 1018400 -7.11755 29.2089 88.4187 32.0796 321.879 -28.0149 23.0868 -76.9687 -161.726 PRESSAVG: 1018400 30.7128 30.2597 25.6474 30.2598 10.715 -47.7975 25.6474 -47.7974 -3.85551 GPRESSAVG: 1018400 30.5445 27.3803 23.9948 31.9588 10.1003 -47.9044 26.8598 -49.9309 -3.4093 TIMING: 1018400 CPU: 3059.56, 0.00304109/step Wall: 3059.56, 0.00304109/step, 3.36345 hours remaining, 208.664062 MB of memory in use. ENERGY: 1018400 731.0150 2110.0321 1935.0959 112.8136 -205997.4461 17632.7291 0.0000 0.0000 34088.4712 -149387.2891 297.7031 -183475.7604 -149286.8598 298.7708 22.2427 51.0117 555398.5636 12.5241 12.4118 PRESSURE: 1018600 -14.8182 -126.824 65.5538 -126.824 -5.97369 90.3065 65.5538 90.3084 -130.887 GPRESSURE: 1018600 -28.1894 -179.61 -16.3158 -100.239 123.991 61.1236 123.55 59.6997 -156.244 PRESSAVG: 1018600 -31.114 9.83861 79.1276 9.83862 20.9383 -82.6241 79.1277 -82.624 16.8488 GPRESSAVG: 1018600 -32.6084 13.36 78.6117 9.03707 21.3043 -82.3402 80.8206 -81.573 17.3882 TIMING: 1018600 CPU: 3060.17, 0.00305782/step Wall: 3060.17, 0.00305782/step, 3.38178 hours remaining, 208.664062 MB of memory in use. ENERGY: 1018600 712.2422 2114.7553 1955.8084 115.8230 -206330.5002 17655.6853 0.0000 0.0000 34251.0795 -149525.1064 299.1232 -183776.1859 -149420.5745 298.7795 -50.5597 -20.1474 557253.9628 2.2244 2.0281 PRESSURE: 1018800 -16.8006 -68.5634 47.0732 -68.5632 -61.0557 -13.2188 47.0718 -13.2183 -27.2945 GPRESSURE: 1018800 41.0917 -29.5987 99.0397 -106.849 -60.8471 56.3474 -3.65296 -75.6274 2.46342 PRESSAVG: 1018800 -14.3979 -41.6538 32.0822 -41.6538 45.3595 -47.7821 32.0821 -47.7822 -0.724121 GPRESSAVG: 1018800 -12.7353 -43.1237 35.0496 -41.6255 44.4722 -46.7411 28.545 -47.1281 -1.55798 TIMING: 1018800 CPU: 3060.78, 0.00304464/step Wall: 3060.78, 0.00304464/step, 3.36703 hours remaining, 208.664062 MB of memory in use. ENERGY: 1018800 725.5677 2141.8037 1957.4417 104.4536 -206614.2911 17878.2441 0.0000 0.0000 34319.6642 -149487.1161 299.7222 -183806.7803 -149399.6611 299.0192 -35.0503 -5.7640 557317.3473 10.0792 10.0596 PRESSURE: 1019000 -148.827 16.6314 54.1555 16.631 -6.15929 -96.2947 54.1558 -96.2941 -114.144 GPRESSURE: 1019000 -156.376 -16.1072 -8.41239 25.946 30.3369 -48.1442 -19.1946 -79.5929 -58.0602 PRESSAVG: 1019000 16.102 -28.3179 2.52167 -28.3179 19.3727 -39.4816 2.52167 -39.4815 -2.6208 GPRESSAVG: 1019000 15.1664 -27.5882 -1.39142 -27.8719 20.5524 -38.6854 6.27099 -40.2827 -3.10713 TIMING: 1019000 CPU: 3061.38, 0.0030256/step Wall: 3061.38, 0.0030256/step, 3.3458 hours remaining, 208.664062 MB of memory in use. ENERGY: 1019000 747.6274 2135.7486 1928.4400 93.7988 -206060.8253 17629.3632 0.0000 0.0000 34150.5963 -149375.2510 298.2457 -183525.8473 -149279.5844 298.9267 -89.7101 -61.3666 556565.3806 10.9513 10.8705 PRESSURE: 1019200 186.508 0.915809 70.7357 0.915601 330.663 -43.0905 70.7363 -43.0914 -148.311 GPRESSURE: 1019200 143.899 -58.3378 -11.6315 67.3116 383.372 -26.6029 69.2138 -35.9949 -65.9778 PRESSAVG: 1019200 13.896 31.8234 -3.92845 31.8234 -11.3688 -32.9737 -3.92845 -32.9739 -2.74507 GPRESSAVG: 1019200 14.6728 31.5885 -4.32079 30.3629 -13.1175 -33.4353 -4.36661 -34.1324 -2.07221 TIMING: 1019200 CPU: 3061.99, 0.00303813/step Wall: 3061.99, 0.00303813/step, 3.3595 hours remaining, 208.664062 MB of memory in use. ENERGY: 1019200 757.1148 2070.6275 1954.1398 100.8005 -206918.0218 18193.5700 0.0000 0.0000 34455.9959 -149385.7733 300.9128 -183841.7692 -149294.2329 299.0725 122.9532 153.7644 556691.6259 -0.0726 -0.1723 PRESSURE: 1019400 -133.865 6.60051 233.027 6.60004 -180.414 -93.7715 233.026 -93.772 133.002 GPRESSURE: 1019400 -95.0635 -65.7307 204.504 95.0053 -107.864 -40.2733 205.774 -181.321 121.023 PRESSAVG: 1019400 -6.5478 5.30774 68.1589 5.30781 39.0802 -17.6385 68.159 -17.6386 37.5544 GPRESSAVG: 1019400 -7.88716 4.8842 68.6158 5.45905 40.6917 -17.0013 68.2148 -16.5656 37.7374 TIMING: 1019400 CPU: 3062.6, 0.00303089/step Wall: 3062.6, 0.00303089/step, 3.35132 hours remaining, 208.664062 MB of memory in use. ENERGY: 1019400 734.1332 2161.1727 1945.6260 113.2920 -206065.2235 17653.2531 0.0000 0.0000 34128.0037 -149329.7428 298.0483 -183457.7465 -149231.7274 298.8929 -60.4258 -27.3014 558125.6816 23.3623 23.5140 PRESSURE: 1019600 -111.718 -62.4205 -145.167 -62.4197 -127.987 -88.4702 -145.168 -88.4722 87.7621 GPRESSURE: 1019600 -99.5442 -80.1714 -115.326 11.6956 -126.139 -157.382 -247.531 -95.7917 177.527 PRESSAVG: 1019600 -57.0428 -1.30546 22.9386 -1.30547 -21.0549 -13.4652 22.9385 -13.4652 78.7152 GPRESSAVG: 1019600 -56.8911 -0.534052 24.5488 -1.85632 -21.6681 -12.1658 20.5718 -13.1501 78.572 TIMING: 1019600 CPU: 3063.2, 0.00300811/step Wall: 3063.2, 0.00300811/step, 3.32597 hours remaining, 208.664062 MB of memory in use. ENERGY: 1019600 761.4603 2100.4801 1920.3075 108.6230 -206207.8386 17736.2044 0.0000 0.0000 34353.7558 -149227.0075 300.0199 -183580.7633 -149124.9155 299.4938 -50.6473 -16.0519 556574.0031 0.2059 0.0043 PRESSURE: 1019800 -11.5688 23.2094 76.4038 23.2097 38.1247 -105.991 76.4043 -105.992 72.8206 GPRESSURE: 1019800 46.3623 3.16318 58.8799 5.48646 5.99619 -108.574 103.472 -133.558 141.338 PRESSAVG: 1019800 -40.6493 34.9399 13.5194 34.94 -2.07232 -12.7499 13.5194 -12.7499 28.7965 GPRESSAVG: 1019800 -39.5463 34.9598 15.5567 34.757 -3.08114 -16.2076 13.8856 -12.9476 29.1628 TIMING: 1019800 CPU: 3063.8, 0.00300848/step Wall: 3063.8, 0.00300848/step, 3.32621 hours remaining, 208.664062 MB of memory in use. ENERGY: 1019800 770.3557 2073.4693 1921.7455 109.8254 -206717.9050 18185.6613 0.0000 0.0000 34320.8787 -149335.9689 299.7328 -183656.8476 -149239.9153 299.5008 33.1255 64.5655 558045.8438 -4.6417 -4.4882 PRESSURE: 1020000 136.442 -60.7362 8.29731 -60.7363 -310.623 -49.0988 8.29802 -49.0968 119.664 GPRESSURE: 1020000 165.796 -108.031 28.9904 44.1805 -261.322 -89.4295 -1.10266 -16.6313 143.971 PRESSAVG: 1020000 -35.5412 17.8593 37.4044 17.8593 -33.7801 -20.2724 37.4044 -20.2725 57.8666 GPRESSAVG: 1020000 -35.5245 18.0763 34.8165 18.5414 -33.1025 -18.6692 39.0021 -19.2942 57.3673 TIMING: 1020000 CPU: 3064.41, 0.00302465/step Wall: 3064.41, 0.00302465/step, 3.34392 hours remaining, 208.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1020000 756.7047 2081.9257 1981.5520 121.8755 -206226.0838 17895.2322 0.0000 0.0000 34040.3279 -149348.4658 297.2826 -183388.7936 -149258.1650 298.4873 -18.1724 16.1483 557265.5275 -3.8182 -3.7532 PRESSURE: 1020200 -46.2384 -47.0037 -173.601 -47.0027 -152.956 -129.427 -173.602 -129.428 -150.346 GPRESSURE: 1020200 15.9502 -20.3536 -207.181 -60.3505 -135.416 -157.213 -170.982 -95.2693 -148.688 PRESSAVG: 1020200 -34.7518 -24.9459 13.5083 -24.9457 -26.6909 -36.8886 13.5083 -36.8888 51.6965 GPRESSAVG: 1020200 -35.5766 -23.2636 14.0031 -26.2644 -26.0129 -36.7741 13.412 -39.2805 51.6135 TIMING: 1020200 CPU: 3065, 0.00299896/step Wall: 3065, 0.00299896/step, 3.31535 hours remaining, 208.664062 MB of memory in use. ENERGY: 1020200 724.4727 2082.9654 1938.7165 110.6794 -205627.9296 17652.5392 0.0000 0.0000 33810.8392 -149307.7173 295.2785 -183118.5565 -149214.9826 299.1763 -116.5135 -89.3843 558850.4889 -3.2487 -3.3253 LDB: ============= START OF LOAD BALANCING ============== 3068.52 LDB: ============== END OF LOAD BALANCING =============== 3068.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3068.52 LDB: ============= START OF LOAD BALANCING ============== 3068.83 LDB: Largest compute 4800 load 0.028592 is 24.3% of average load 0.117853 LDB: Average compute 0.001738 is 1.5% of average load 0.117853 LDB: TIME 3068.83 LOAD: AVG 0.117853 MAX 0.207146 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.398 MB LDB: TIME 3068.83 LOAD: AVG 0.117853 MAX 0.207146 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.402 MB LDB: TIME 3068.83 LOAD: AVG 0.117853 MAX 0.207146 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.402 MB LDB: ============== END OF LOAD BALANCING =============== 3068.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3068.83 PRESSURE: 1020400 -40.7958 19.1155 -156.685 19.1155 70.5477 61.3831 -156.684 61.3826 -211.227 GPRESSURE: 1020400 -36.3939 7.89344 -121.315 22.265 106.972 121.871 -113.94 -23.1815 -144.639 PRESSAVG: 1020400 59.968 -13.111 -0.497112 -13.111 -62.3522 -38.9119 -0.497067 -38.912 3.28891 GPRESSAVG: 1020400 60.8112 -13.867 0.0674841 -11.9769 -62.3354 -39.4111 -0.246517 -36.2817 2.86505 TIMING: 1020400 CPU: 3065.62, 0.00306129/step Wall: 3065.62, 0.00306128/step, 3.38408 hours remaining, 210.000000 MB of memory in use. ENERGY: 1020400 752.7313 2069.6515 1934.4215 128.7772 -206413.1934 17932.7427 0.0000 0.0000 34485.0085 -149109.8608 301.1662 -183594.8694 -149006.2058 299.1236 -60.4918 -24.6868 558519.0761 0.3016 0.4470 PRESSURE: 1020600 254.003 -30.8882 50.6413 -30.8882 179.965 -121.738 50.6428 -121.739 8.15556 GPRESSURE: 1020600 390.019 -7.03227 57.3595 -59.2499 154.277 -121.494 85.1142 -124.839 -9.29523 PRESSAVG: 1020600 25.6182 0.0657315 6.31546 0.0657321 35.7248 30.5882 6.31557 30.588 -38.6132 GPRESSAVG: 1020600 25.9314 -0.436917 7.00893 -0.0572622 35.6635 30.788 5.9691 28.1557 -39.6265 TIMING: 1020600 CPU: 3066.22, 0.00302162/step Wall: 3066.22, 0.00302162/step, 3.34006 hours remaining, 210.070312 MB of memory in use. ENERGY: 1020600 749.4333 2127.9759 1939.1151 99.1079 -206335.1969 18107.1584 0.0000 0.0000 34316.6845 -148995.7218 299.6961 -183312.4063 -148912.4854 299.9057 147.3746 178.3336 558837.9348 7.5766 7.3228 PRESSURE: 1020800 303.568 -47.9993 22.506 -48.0004 47.5619 43.7171 22.5063 43.7172 -77.8225 GPRESSURE: 1020800 346.65 -13.8786 -26.6085 -59.7891 61.7238 125.361 48.2255 -23.2613 -23.0183 PRESSAVG: 1020800 32.6885 -43.1068 37.5495 -43.1069 29.3389 -20.3442 37.5494 -20.3441 -82.3343 GPRESSAVG: 1020800 32.1009 -41.9376 36.8805 -42.542 27.8937 -20.0064 37.8354 -18.0784 -80.182 TIMING: 1020800 CPU: 3066.82, 0.00298921/step Wall: 3066.82, 0.00298921/step, 3.30407 hours remaining, 210.070312 MB of memory in use. ENERGY: 1020800 750.7412 2090.4024 1916.9612 116.5756 -206188.4397 17919.9391 0.0000 0.0000 34284.5889 -149109.2313 299.4158 -183393.8202 -149001.2611 299.6725 91.1023 128.4520 557258.2619 -6.7690 -6.7291 PRESSURE: 1021000 -58.5501 -105.509 46.4965 -105.509 60.5083 12.8154 46.497 12.814 110.992 GPRESSURE: 1021000 -6.4167 -186.092 92.6559 -35.4446 107.787 -56.0483 -58.4741 12.5125 109.595 PRESSAVG: 1021000 -7.01871 -20.8645 -24.4998 -20.8645 17.7033 63.6584 -24.4999 63.6585 -32.4387 GPRESSAVG: 1021000 -7.25207 -21.4788 -24.7249 -21.7354 18.9333 62.6815 -24.7677 63.2289 -33.5757 TIMING: 1021000 CPU: 3067.42, 0.00298946/step Wall: 3067.42, 0.00298946/step, 3.30419 hours remaining, 210.070312 MB of memory in use. ENERGY: 1021000 720.3982 2096.2652 1919.7150 113.2649 -205977.2031 17650.0518 0.0000 0.0000 34261.8800 -149215.6281 299.2175 -183477.5081 -149121.7796 299.1632 37.6502 70.3218 558193.8824 -7.2514 -7.2981 PRESSURE: 1021200 -5.64494 11.6394 9.36663 11.6403 86.3539 -58.6927 9.36697 -58.6934 270.637 GPRESSURE: 1021200 41.8263 -64.4856 21.5894 27.9174 75.9905 -60.7743 16.7446 -63.146 347.231 PRESSAVG: 1021200 -46.0755 21.4544 8.82654 21.4543 7.47118 13.4101 8.82647 13.41 56.7284 GPRESSAVG: 1021200 -47.0595 20.875 7.62559 19.8415 8.3417 13.093 10.4419 13.0158 57.0828 TIMING: 1021200 CPU: 3068.02, 0.00300251/step Wall: 3068.02, 0.00300251/step, 3.31844 hours remaining, 210.070312 MB of memory in use. ENERGY: 1021200 679.2436 2130.3718 1918.7884 121.2220 -206361.0772 17908.5626 0.0000 0.0000 34304.4197 -149298.4690 299.5890 -183602.8888 -149212.5263 299.4809 117.1155 155.0158 557092.5657 6.0414 6.1217 PRESSURE: 1021400 116.063 -47.9901 -139.101 -47.9906 149.533 -112.703 -139.102 -112.704 103.679 GPRESSURE: 1021400 162.929 -52.8125 -82.2785 -8.36498 106.428 -91.2048 -216.392 -95.9151 188.885 PRESSAVG: 1021400 22.302 4.05885 4.73279 4.05889 12.9247 22.5573 4.73278 22.5573 12.9488 GPRESSAVG: 1021400 23.3627 5.75607 4.41468 5.24054 10.472 22.8466 5.06446 23.5067 14.4223 TIMING: 1021400 CPU: 3068.62, 0.00300287/step Wall: 3068.62, 0.00300287/step, 3.31867 hours remaining, 210.070312 MB of memory in use. ENERGY: 1021400 700.8772 2048.0206 1934.3929 103.1606 -206214.6212 17951.2104 0.0000 0.0000 34154.5683 -149322.3912 298.2803 -183476.9595 -149231.4801 298.8109 123.0918 152.7473 558349.7082 16.0585 16.0856 PRESSURE: 1021600 -140.395 130.383 -97.4995 130.383 152.151 -39.9141 -97.5013 -39.9157 252.372 GPRESSURE: 1021600 -126.733 177.288 -115.796 208.42 230.905 101.45 -77.1813 -25.4022 275.609 PRESSAVG: 1021600 -4.4133 53.8831 -31.293 53.883 61.1152 40.0225 -31.2929 40.0224 -71.4236 GPRESSAVG: 1021600 -5.4579 52.6083 -30.9477 53.277 62.1895 40.3182 -31.6051 38.2851 -71.5083 TIMING: 1021600 CPU: 3069.22, 0.00299891/step Wall: 3069.22, 0.00299891/step, 3.31413 hours remaining, 210.070312 MB of memory in use. ENERGY: 1021600 752.0017 2052.2467 1931.3661 111.7302 -206587.4534 18035.3929 0.0000 0.0000 34219.1452 -149485.5706 298.8443 -183704.7158 -149396.0411 298.4364 88.0428 126.5937 557462.7538 -4.9072 -4.9256 PRESSURE: 1021800 -166.87 64.5004 115.227 64.5003 60.0361 88.1574 115.227 88.157 -267.269 GPRESSURE: 1021800 -171.224 107.917 124.579 79.1788 84.7566 81.0833 66.1456 45.8614 -186.757 PRESSAVG: 1021800 -26.5889 23.6345 24.427 23.6346 65.8322 35.1375 24.4271 35.1374 -58.5375 GPRESSAVG: 1021800 -25.8629 21.6296 24.4812 25.402 66.8268 35.5058 23.4792 35.5341 -60.1023 TIMING: 1021800 CPU: 3069.81, 0.00298157/step Wall: 3069.81, 0.00298157/step, 3.2948 hours remaining, 210.070312 MB of memory in use. ENERGY: 1021800 696.9229 2044.0259 1927.4152 119.8738 -206245.3811 17719.1670 0.0000 0.0000 34325.8364 -149412.1400 299.7761 -183737.9764 -149314.5715 298.1982 -124.7009 -91.0748 559259.0369 -6.4314 -6.3795 PRESSURE: 1022000 51.8073 -58.4773 -56.8386 -58.4779 119.558 -101.129 -56.8373 -101.129 -63.7615 GPRESSURE: 1022000 103.656 -95.4638 -65.5546 -151.333 138.345 -125.098 -96.8375 -28.6607 -42.2886 PRESSAVG: 1022000 -0.0532623 -28.5351 -2.08657 -28.5352 37.9277 -16.4072 -2.08656 -16.4071 -55.0069 GPRESSAVG: 1022000 1.56956 -26.4672 -1.61898 -32.3321 35.516 -17.2875 -2.4603 -15.3533 -54.532 TIMING: 1022000 CPU: 3070.41, 0.00298701/step Wall: 3070.41, 0.00298701/step, 3.30065 hours remaining, 210.070312 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: 1022000 735.4490 2099.6929 1935.4916 99.6894 -206477.6662 18047.7629 0.0000 0.0000 34073.4702 -149486.1103 297.5721 -183559.5805 -149394.7093 298.4360 35.8680 66.5710 558532.6354 -5.7108 -5.8155 PRESSURE: 1022200 262.811 -117.019 -9.39828 -117.018 42.5845 50.7828 -9.39843 50.7809 -174.524 GPRESSURE: 1022200 247.293 -132.115 -75.8445 -131.317 57.4482 76.7474 -30.8485 110.179 -90.4165 PRESSAVG: 1022200 37.4496 -43.9351 25.3134 -43.935 52.2643 35.7646 25.3135 35.7645 -76.5407 GPRESSAVG: 1022200 34.9633 -43.2406 25.2302 -41.8859 53.2962 36.7894 24.1109 34.7721 -75.0175 TIMING: 1022200 CPU: 3071.01, 0.00300284/step Wall: 3071.01, 0.00300284/step, 3.31798 hours remaining, 210.070312 MB of memory in use. ENERGY: 1022200 703.1186 2030.0713 1961.0947 111.8617 -206590.8416 17989.0663 0.0000 0.0000 34381.9750 -149413.6541 300.2663 -183795.6291 -149317.0231 298.2775 43.6239 71.4416 559717.1317 4.3911 4.4140 PRESSURE: 1022400 295.031 -12.8353 -222.573 -12.836 312.568 -178.354 -222.573 -178.355 90.4151 GPRESSURE: 1022400 366.314 -63.0273 -243.403 61.2078 338.608 -184.264 -178.63 -70.4269 88.3638 PRESSAVG: 1022400 13.1345 6.67466 -1.91092 6.67462 15.4327 -37.2887 -1.9109 -37.2888 -32.8598 GPRESSAVG: 1022400 13.5657 2.53396 0.460575 9.18367 15.9732 -39.0072 0.128949 -37.3891 -33.9263 TIMING: 1022400 CPU: 3071.61, 0.00300503/step Wall: 3071.61, 0.00300503/step, 3.32022 hours remaining, 210.070312 MB of memory in use. ENERGY: 1022400 738.0229 2017.6541 1933.0416 104.8705 -206745.8872 18273.0237 0.0000 0.0000 34177.2559 -149502.0185 298.4785 -183679.2744 -149403.1664 298.9333 232.6714 264.4288 557043.1266 -1.4308 -1.4625 PRESSURE: 1022600 278.216 73.6167 23.004 73.6169 -18.267 -190.924 23.0037 -190.924 -50.7429 GPRESSURE: 1022600 300.741 1.79805 97.5479 63.8485 9.40517 -132.897 6.1431 -65.2336 -13.8918 PRESSAVG: 1022600 55.3799 -25.6616 28.332 -25.6615 43.0988 -37.4504 28.332 -37.4504 -80.9166 GPRESSAVG: 1022600 56.1029 -23.6607 24.223 -25.9104 42.2094 -38.1436 30.7096 -36.6715 -81.065 TIMING: 1022600 CPU: 3072.21, 0.00297266/step Wall: 3072.21, 0.00297266/step, 3.28429 hours remaining, 210.070312 MB of memory in use. ENERGY: 1022600 709.7814 2071.3669 1942.3349 115.5489 -206561.4868 17831.4321 0.0000 0.0000 34333.6980 -149557.3246 299.8447 -183891.0226 -149468.0306 298.1106 69.7354 98.7514 558175.7844 5.8540 5.7491 PRESSURE: 1022800 214.587 -216.479 137.838 -216.479 42.1017 40.3276 137.837 40.329 -70.2271 GPRESSURE: 1022800 225.264 -199.333 60.1514 -277.673 61.437 16.4588 156.637 -0.990396 3.69388 PRESSAVG: 1022800 9.22619 -54.6399 -13.1072 -54.6399 25.0855 -33.1291 -13.1072 -33.129 -35.5145 GPRESSAVG: 1022800 8.50242 -53.6933 -11.5012 -56.3729 25.7112 -32.7239 -14.6022 -32.496 -34.4523 TIMING: 1022800 CPU: 3072.8, 0.00296824/step Wall: 3072.8, 0.00296824/step, 3.27924 hours remaining, 210.070312 MB of memory in use. ENERGY: 1022800 721.6424 2105.5639 1944.2082 100.7840 -206737.9461 18120.5718 0.0000 0.0000 34169.0436 -149576.1322 298.4068 -183745.1758 -149472.7948 297.9221 62.1538 96.7983 558920.3970 -0.4009 -0.0796 PRESSURE: 1023000 -104.011 -60.5921 102.896 -60.5937 -260.119 -62.6238 102.896 -62.6245 -403.241 GPRESSURE: 1023000 -78.8244 -56.519 92.6629 -54.7496 -227.28 -16.2291 90.4466 -96.9387 -349.073 PRESSAVG: 1023000 -12.1587 -44.7717 -11.009 -44.7717 -9.16979 -52.5196 -11.0089 -52.5196 22.1261 GPRESSAVG: 1023000 -11.4958 -44.3342 -9.53435 -45.1207 -9.15217 -51.0964 -13.0838 -54.8114 21.736 TIMING: 1023000 CPU: 3073.4, 0.00298231/step Wall: 3073.4, 0.00298231/step, 3.29462 hours remaining, 210.070312 MB of memory in use. ENERGY: 1023000 746.8887 2005.8391 1931.5305 116.5594 -205865.9915 17534.2371 0.0000 0.0000 34084.2556 -149446.6812 297.6663 -183530.9368 -149351.1091 298.6365 -255.7905 -218.3924 558242.2626 0.2659 0.3627 PRESSURE: 1023200 -130.209 9.48514 135.737 9.48596 -57.0038 -95.7124 135.738 -95.712 67.7439 GPRESSURE: 1023200 -122.806 27.5687 177.684 -31.1308 1.36184 -60.7827 126.602 -32.8655 87.06 PRESSAVG: 1023200 -97.2243 -22.4573 -57.352 -22.4573 -16.2485 9.43029 -57.3521 9.43034 104.21 GPRESSAVG: 1023200 -95.9653 -23.6096 -59.0086 -21.3612 -16.8922 11.5614 -56.0697 9.98449 103.302 TIMING: 1023200 CPU: 3074, 0.00300045/step Wall: 3074, 0.00300045/step, 3.3145 hours remaining, 210.070312 MB of memory in use. ENERGY: 1023200 754.7718 2063.1935 1900.3791 121.9225 -206194.5226 17747.3726 0.0000 0.0000 34130.7089 -149476.1743 298.0720 -183606.8832 -149377.1033 297.7883 -39.8228 -11.4613 558828.8013 -3.0877 -3.1853 PRESSURE: 1023400 69.1142 -54.6138 48.6833 -54.6132 152.591 -126.057 48.6832 -126.054 128.914 GPRESSURE: 1023400 110.935 -19.4798 18.0134 -70.7108 188.706 -82.5263 72.17 -116.151 144.181 PRESSAVG: 1023400 -20.623 -0.818307 16.9669 -0.818232 -40.4709 8.11097 16.9669 8.111 54.5772 GPRESSAVG: 1023400 -21.9664 -0.0869156 17.2186 -1.03503 -39.47 5.62938 16.9457 10.3258 55.0825 TIMING: 1023400 CPU: 3074.6, 0.0029923/step Wall: 3074.6, 0.0029923/step, 3.30532 hours remaining, 210.070312 MB of memory in use. ENERGY: 1023400 742.7850 2055.3268 1905.2362 131.0359 -206870.5638 18193.9643 0.0000 0.0000 34331.6502 -149510.5655 299.8268 -183842.2157 -149415.8495 297.5847 116.8732 147.9407 556745.3930 -2.1722 -2.1180 PRESSURE: 1023600 165.501 142.989 -215.623 142.989 -2.62966 76.8454 -215.622 76.8444 178.119 GPRESSURE: 1023600 148.831 100.232 -197.817 172.597 93.4128 79.7325 -204.13 113.241 206.09 PRESSAVG: 1023600 -35.6191 -8.95538 8.60408 -8.95532 48.1996 -22.213 8.60411 -22.2129 23.3425 GPRESSAVG: 1023600 -36.0607 -8.38891 9.39107 -10.8635 48.5381 -21.6746 6.22376 -24.5905 22.8753 TIMING: 1023600 CPU: 3075.19, 0.00298559/step Wall: 3075.19, 0.00298559/step, 3.29774 hours remaining, 210.070312 MB of memory in use. ENERGY: 1023600 752.5485 2133.5887 1904.1654 113.2200 -206469.7940 18017.3069 0.0000 0.0000 34351.2258 -149197.7387 299.9978 -183548.9645 -149108.4912 298.4216 113.6635 149.4446 557590.9676 11.9743 11.7842 PRESSURE: 1023800 -375.067 -76.721 -25.793 -76.7211 -0.789483 0.637341 -25.7926 0.636678 -102.936 GPRESSURE: 1023800 -318.544 -132.167 -41.0373 -14.0747 -6.71348 35.4221 -9.93311 -79.7293 -69.7843 PRESSAVG: 1023800 23.2884 -53.5798 12.7801 -53.5797 -28.793 -9.08176 12.78 -9.08183 -13.4111 GPRESSAVG: 1023800 23.2889 -55.2794 11.4708 -52.9706 -28.0059 -7.21069 15.4568 -11.0876 -13.5553 TIMING: 1023800 CPU: 3075.79, 0.00298551/step Wall: 3075.79, 0.00298551/step, 3.29749 hours remaining, 210.070312 MB of memory in use. ENERGY: 1023800 747.9382 1994.9817 1939.8384 119.7388 -206100.7643 17682.1984 0.0000 0.0000 34287.6525 -149328.4163 299.4426 -183616.0687 -149231.4628 299.7869 -159.5975 -131.6806 557520.0083 -6.3052 -6.0908 PRESSURE: 1024000 95.2297 99.8568 58.4421 99.8592 -136.222 97.2557 58.4428 97.2564 -357.395 GPRESSURE: 1024000 142.661 52.3248 13.2754 54.19 -164.766 33.1181 170.94 81.6808 -271.049 PRESSAVG: 1024000 -11.2595 -50.9514 20.9369 -50.9513 23.1783 -32.8565 20.937 -32.8564 8.72689 GPRESSAVG: 1024000 -10.9132 -50.9502 19.196 -52.0479 23.3963 -31.5794 22.0604 -30.63 9.48425 TIMING: 1024000 CPU: 3076.39, 0.00300202/step Wall: 3076.39, 0.00300202/step, 3.31557 hours remaining, 210.070312 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: 1024000 735.5886 2063.5781 1907.2856 115.5069 -206118.6848 17727.8603 0.0000 0.0000 34128.6036 -149440.2618 298.0536 -183568.8654 -149342.1577 298.5179 -132.7960 -97.7177 557715.0036 6.8819 7.3224 PRESSURE: 1024200 52.5849 -45.7887 49.8893 -45.7893 54.9153 -32.0467 49.889 -32.0474 -145.039 GPRESSURE: 1024200 36.1048 -83.1272 88.7235 -56.1477 76.192 0.365348 11.1434 -24.9927 -41.7156 PRESSAVG: 1024200 54.7487 -45.4054 -14.4429 -45.4055 -17.5566 2.69917 -14.443 2.6992 -42.2043 GPRESSAVG: 1024200 54.569 -45.3868 -13.0435 -42.6937 -19.2991 1.28506 -15.1999 2.66078 -40.8455 TIMING: 1024200 CPU: 3076.99, 0.00301752/step Wall: 3076.99, 0.00301752/step, 3.33252 hours remaining, 210.070312 MB of memory in use. ENERGY: 1024200 731.6170 2074.5188 1934.5065 116.3644 -206069.9683 17706.3378 0.0000 0.0000 34116.0008 -149390.6230 297.9435 -183506.6239 -149299.6619 298.5089 -12.5128 23.5270 556530.7057 -1.6707 -1.8585 LDB: ============= START OF LOAD BALANCING ============== 3080.51 LDB: ============== END OF LOAD BALANCING =============== 3080.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3080.51 LDB: ============= START OF LOAD BALANCING ============== 3080.81 LDB: Largest compute 4800 load 0.029370 is 24.9% of average load 0.117925 LDB: Average compute 0.001731 is 1.5% of average load 0.117925 LDB: TIME 3080.82 LOAD: AVG 0.117925 MAX 0.207885 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.57 MB LDB: TIME 3080.82 LOAD: AVG 0.117925 MAX 0.207885 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.773 MB LDB: TIME 3080.82 LOAD: AVG 0.117925 MAX 0.207885 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.773 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3080.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3080.82 PRESSURE: 1024400 -26.0906 -33.7867 71.2055 -33.7868 -106.219 -155.503 71.2056 -155.501 -52.5432 GPRESSURE: 1024400 31.5656 -101.168 66.6328 -13.1812 -53.8124 -227.63 44.7127 -105.084 -63.302 PRESSAVG: 1024400 30.7323 3.92388 71.6441 3.92386 -27.9897 11.8415 71.6441 11.8414 -3.67553 GPRESSAVG: 1024400 29.9091 5.64872 71.7715 1.53134 -27.3279 11.4938 69.8443 11.2698 -3.82338 TIMING: 1024400 CPU: 3077.61, 0.00305566/step Wall: 3077.61, 0.00305566/step, 3.37447 hours remaining, 207.457031 MB of memory in use. ENERGY: 1024400 774.9123 2074.1715 1898.5579 105.9310 -206152.2987 17649.4072 0.0000 0.0000 34369.7978 -149279.5211 300.1600 -183649.3188 -149182.1607 299.0427 -61.6178 -28.5163 555209.0621 -0.3110 -0.4141 PRESSURE: 1024600 -111.797 128.741 134.48 128.741 -453.583 -92.573 134.479 -92.5715 -263.929 GPRESSURE: 1024600 -110.329 133.184 124.599 120.897 -408.811 -111.014 119.796 -91.3547 -215.653 PRESSAVG: 1024600 60.428 -16.0299 41.0406 -16.03 -39.1182 -6.01403 41.0405 -6.01395 -23.827 GPRESSAVG: 1024600 60.8885 -18.1434 42.0954 -14.2502 -39.5012 -7.53471 41.9114 -6.46159 -24.1701 TIMING: 1024600 CPU: 3078.21, 0.00301297/step Wall: 3078.21, 0.00301297/step, 3.32716 hours remaining, 207.457031 MB of memory in use. ENERGY: 1024600 760.2571 2074.0162 1932.0584 103.1630 -206003.5226 17374.6562 0.0000 0.0000 34421.5129 -149337.8587 300.6116 -183759.3716 -149241.9544 299.6132 -276.4363 -244.9307 556698.6040 -0.8391 -0.9276 PRESSURE: 1024800 -163.807 78.7127 30.3854 78.7128 -51.4737 170.588 30.3854 170.587 -215.316 GPRESSURE: 1024800 -121.496 14.0704 18.7201 74.9213 -47.6339 103.42 48.4384 152.716 -153.666 PRESSAVG: 1024800 62.6187 -17.281 11.8878 -17.281 53.2486 -22.3567 11.8877 -22.3566 -69.2089 GPRESSAVG: 1024800 61.7912 -16.4193 11.138 -18.77 54.3827 -21.117 11.0571 -23.3912 -69.6439 TIMING: 1024800 CPU: 3078.81, 0.00301146/step Wall: 3078.81, 0.00301146/step, 3.32532 hours remaining, 207.457031 MB of memory in use. ENERGY: 1024800 769.0792 2112.9413 1890.5493 111.0950 -206222.0458 17596.3625 0.0000 0.0000 34374.7711 -149367.2473 300.2034 -183742.0183 -149264.8799 299.7061 -143.5324 -107.5984 555971.1894 15.5528 15.5100 PRESSURE: 1025000 -26.4871 -58.2457 -12.1461 -58.2438 243.296 45.6759 -12.1451 45.6748 87.1992 GPRESSURE: 1025000 36.5177 -80.2468 -49.6524 -91.2594 266.606 105.731 39.2306 -35.9971 110.455 PRESSAVG: 1025000 -8.53181 -3.64803 40.8201 -3.64796 55.3414 23.0686 40.82 23.0686 -84.2459 GPRESSAVG: 1025000 -7.00931 -3.33236 40.8042 -3.05435 54.8769 23.4156 41.7078 24.1987 -85.2492 TIMING: 1025000 CPU: 3079.41, 0.0029865/step Wall: 3079.41, 0.0029865/step, 3.2976 hours remaining, 207.457031 MB of memory in use. ENERGY: 1025000 732.4904 2076.5599 1928.2331 121.4236 -206350.3637 18036.3671 0.0000 0.0000 34304.6582 -149150.6313 299.5911 -183455.2895 -149055.4287 299.0556 101.3362 137.8596 556881.7725 -12.4788 -12.4605 PRESSURE: 1025200 -110.55 -1.0395 9.45083 -1.04234 -91.2345 -266.519 9.45238 -266.518 -192.244 GPRESSURE: 1025200 -79.5265 32.7585 -10.4418 -39.3909 -19.6732 -247.801 -9.62867 -275.839 -199.588 PRESSAVG: 1025200 31.9028 24.11 -23.0721 24.11 43.9205 -26.9301 -23.0721 -26.9301 -0.755688 GPRESSAVG: 1025200 30.8618 21.8952 -23.2004 25.8186 44.0226 -26.0709 -23.0413 -26.4616 0.4798 TIMING: 1025200 CPU: 3080.01, 0.00298705/step Wall: 3080.01, 0.00298705/step, 3.29804 hours remaining, 207.457031 MB of memory in use. ENERGY: 1025200 735.4878 2119.4935 1929.6264 109.8254 -205695.9531 17547.3061 0.0000 0.0000 34185.0688 -149069.1450 298.5467 -183254.2138 -148976.3414 299.4213 -131.3428 -99.5959 557698.7174 25.0225 25.1214 PRESSURE: 1025400 -100.479 133.058 -108.242 133.058 -27.7299 -20.3244 -108.242 -20.3243 -92.5533 GPRESSURE: 1025400 -75.0639 203.648 -128.576 47.6356 -5.12092 -5.49526 -114.101 4.06848 -36.0082 PRESSAVG: 1025400 -25.6159 6.34236 -86.3502 6.34234 -52.3517 -29.5282 -86.3501 -29.5282 52.1969 GPRESSAVG: 1025400 -24.9217 8.6654 -84.9333 4.29218 -52.6819 -29.9347 -85.4503 -29.1205 51.5337 TIMING: 1025400 CPU: 3080.61, 0.00300168/step Wall: 3080.61, 0.00300168/step, 3.31402 hours remaining, 207.457031 MB of memory in use. ENERGY: 1025400 763.4037 2093.0214 1906.0775 116.9005 -205948.6360 17699.0353 0.0000 0.0000 34395.7075 -148974.4902 300.3863 -183370.1977 -148871.9673 300.1554 -73.5876 -38.7310 556963.5547 -8.5902 -8.6900 PRESSURE: 1025600 -118.6 -53.1993 -98.7482 -53.1984 -5.3982 -54.13 -98.7492 -54.1291 -31.2746 GPRESSURE: 1025600 -99.5839 -20.866 -31.8548 -97.3653 94.1189 19.4363 -60.2532 -69.8803 -51.3117 PRESSAVG: 1025600 -7.598 5.17102 -66.0592 5.17094 13.5371 -20.0107 -66.059 -20.0107 13.5696 GPRESSAVG: 1025600 -7.05318 3.60841 -66.6118 6.73813 13.0028 -21.2771 -66.1401 -20.09 13.5628 TIMING: 1025600 CPU: 3081.2, 0.00299472/step Wall: 3081.2, 0.00299472/step, 3.30618 hours remaining, 207.457031 MB of memory in use. ENERGY: 1025600 729.7841 2068.5178 1913.4683 122.6861 -205485.8808 17426.2630 0.0000 0.0000 34177.9403 -149047.2212 298.4845 -183225.1615 -148959.5695 300.5526 -51.7577 -18.9256 557125.5255 6.5029 6.5042 PRESSURE: 1025800 -310.825 49.6518 80.5217 49.6534 31.781 -104.089 80.5212 -104.089 131.248 GPRESSURE: 1025800 -234.055 -67.5053 99.2834 123.23 30.0673 -94.434 116.971 -39.5261 160.34 PRESSAVG: 1025800 -53.9763 12.7547 6.11463 12.7546 -16.9781 -13.2198 6.1146 -13.2197 80.3285 GPRESSAVG: 1025800 -53.8775 12.1182 6.12534 12.1714 -17.4409 -12.8983 4.81776 -13.9589 81.0504 TIMING: 1025800 CPU: 3081.81, 0.00301503/step Wall: 3081.81, 0.00301503/step, 3.32842 hours remaining, 207.457031 MB of memory in use. ENERGY: 1025800 721.7187 2052.9735 1921.9886 117.3116 -206288.4847 17821.7385 0.0000 0.0000 34419.1983 -149233.5556 300.5914 -183652.7539 -149143.9924 299.0622 -49.2652 -14.5492 557309.9603 3.1247 3.2440 PRESSURE: 1026000 -13.8921 9.44673 -106.289 9.44767 58.162 -29.5362 -106.289 -29.5359 -84.1495 GPRESSURE: 1026000 -7.90424 -62.6043 -85.9666 -31.6106 102.616 -91.44 -97.9673 34.1939 -27.5092 PRESSAVG: 1026000 3.83291 12.1133 -19.6772 12.1133 2.1267 -20.5024 -19.6772 -20.5024 36.5605 GPRESSAVG: 1026000 3.06154 14.4108 -20.2312 11.1752 3.94046 -20.2255 -18.182 -19.0365 35.4953 TIMING: 1026000 CPU: 3082.41, 0.0030294/step Wall: 3082.41, 0.0030294/step, 3.34412 hours remaining, 207.457031 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: 1026000 736.1756 2104.2862 1942.8523 103.9118 -205998.6953 17785.4588 0.0000 0.0000 34202.4367 -149123.5738 298.6984 -183326.0106 -149035.2245 299.2320 -13.2932 22.4007 558692.9351 14.1734 14.1658 PRESSURE: 1026200 -197.706 -91.0065 -42.5447 -91.0073 12.6894 -179.111 -42.5444 -179.11 66.4073 GPRESSURE: 1026200 -109.37 -97.2731 18.8836 -97.4878 60.2508 -146.816 -40.1431 -159.739 30.9527 PRESSAVG: 1026200 19.9002 -14.7289 55.8453 -14.729 4.63327 -42.9788 55.8453 -42.9788 -37.9307 GPRESSAVG: 1026200 20.1865 -14.4002 56.5104 -14.1943 3.89092 -43.3153 53.6729 -44.2496 -37.5965 TIMING: 1026200 CPU: 3083.02, 0.00301926/step Wall: 3083.02, 0.00301926/step, 3.33276 hours remaining, 207.457031 MB of memory in use. ENERGY: 1026200 730.8415 2051.7197 1881.5552 117.2745 -205766.2575 17573.6221 0.0000 0.0000 34325.8214 -149085.4231 299.7759 -183411.2445 -148986.0884 299.3909 -39.5364 -6.0555 557719.4093 -4.4658 -4.5064 PRESSURE: 1026400 -232.069 -99.0482 96.9793 -99.0482 31.1879 21.4436 96.9779 21.4436 -203.754 GPRESSURE: 1026400 -176.563 -132.336 53.7043 -58.3093 71.4487 2.68911 76.4353 82.2725 -188.594 PRESSAVG: 1026400 27.9279 -1.22415 0.574059 -1.22434 63.5881 53.0528 0.574033 53.0528 -62.4288 GPRESSAVG: 1026400 27.7845 -1.64872 0.863114 -0.736379 62.7019 53.9599 0.861753 54.32 -61.1005 TIMING: 1026400 CPU: 3083.62, 0.00299555/step Wall: 3083.62, 0.00299555/step, 3.30642 hours remaining, 207.457031 MB of memory in use. ENERGY: 1026400 762.0663 2099.3200 1900.6405 105.9502 -205732.5569 17534.1809 0.0000 0.0000 34254.0548 -149076.3442 299.1492 -183330.3989 -148990.1089 299.9492 -134.8783 -97.9028 557011.6801 9.6958 9.7953 PRESSURE: 1026600 -138.422 -195.687 -40.3774 -195.687 -174.198 -121.095 -40.3778 -121.094 -171.546 GPRESSURE: 1026600 -113.987 -206.368 -100.754 -152.306 -151.213 -89.1579 -39.6145 -19.1107 -115.137 PRESSAVG: 1026600 9.32176 -54.0813 42.3942 -54.0814 -6.65508 -27.0743 42.3942 -27.0744 -10.4807 GPRESSAVG: 1026600 8.86065 -53.1894 41.8757 -56.5254 -6.32333 -26.498 44.088 -30.0127 -10.5026 TIMING: 1026600 CPU: 3084.22, 0.00300659/step Wall: 3084.22, 0.00300659/step, 3.31844 hours remaining, 207.457031 MB of memory in use. ENERGY: 1026600 711.9414 2035.1180 1951.4557 115.5179 -205735.4800 17460.3997 0.0000 0.0000 34281.5017 -149179.5456 299.3889 -183461.0473 -149083.2373 299.4491 -161.3887 -126.7789 557497.3819 -2.6047 -2.6551 PRESSURE: 1026800 -21.8963 61.7271 -133.121 61.7273 -242.841 -33.3421 -133.124 -33.3447 -332.907 GPRESSURE: 1026800 11.027 68.8357 -125.311 176.098 -194.475 30.7902 -55.8322 -54.1353 -299.384 PRESSAVG: 1026800 13.9869 -16.0459 35.9865 -16.0459 -22.1122 -63.5636 35.9865 -63.5636 18.7028 GPRESSAVG: 1026800 15.3661 -18.2425 36.867 -13.7904 -21.9016 -63.164 33.9278 -63.7012 17.6574 TIMING: 1026800 CPU: 3084.81, 0.00298141/step Wall: 3084.81, 0.00298141/step, 3.29049 hours remaining, 207.457031 MB of memory in use. ENERGY: 1026800 759.6619 2050.8882 1946.1576 119.6616 -206024.8518 17721.8216 0.0000 0.0000 34319.0399 -149107.6210 299.7167 -183426.6610 -149008.2175 299.0820 -199.2150 -160.9439 558211.3514 3.5258 3.7073 PRESSURE: 1027000 -253.73 -66.3149 -200.286 -66.315 -125.838 -24.393 -200.286 -24.3917 -79.8218 GPRESSURE: 1027000 -190.809 -51.3578 -169.798 2.98529 -75.8969 -65.9914 -164.743 28.532 -88.3966 PRESSAVG: 1027000 -39.9612 27.0502 23.7429 27.0501 0.842489 11.4449 23.7429 11.4448 31.7063 GPRESSAVG: 1027000 -41.2697 29.1592 25.2173 26.7195 3.00348 10.825 22.8677 13.8901 31.7806 TIMING: 1027000 CPU: 3085.41, 0.00298574/step Wall: 3085.41, 0.00298574/step, 3.2951 hours remaining, 207.457031 MB of memory in use. ENERGY: 1027000 733.9966 2046.7357 1951.4107 112.7566 -205686.3943 17646.2410 0.0000 0.0000 34225.0525 -148970.2012 298.8959 -183195.2537 -148874.6618 299.6856 -153.1300 -118.3676 559713.4500 -2.4708 -2.1619 PRESSURE: 1027200 -322.255 -60.3364 21.5114 -60.3363 -122.43 121.589 21.5117 121.588 -270.759 GPRESSURE: 1027200 -255.508 -34.069 -25.0242 -71.4186 -148.94 110.228 37.04 2.9698 -213.471 PRESSAVG: 1027200 5.51268 -18.4494 15.6343 -18.4493 32.7582 -35.294 15.6343 -35.2941 3.9981 GPRESSAVG: 1027200 5.38626 -20.1685 14.7364 -17.7023 31.4475 -37.3578 16.0169 -37.5918 5.19096 TIMING: 1027200 CPU: 3086.01, 0.00301089/step Wall: 3086.01, 0.00301089/step, 3.32268 hours remaining, 207.457031 MB of memory in use. ENERGY: 1027200 791.7953 2113.3867 1936.6754 114.6251 -205733.3416 17503.6543 0.0000 0.0000 34267.0065 -149006.1981 299.2623 -183273.2047 -148905.7895 300.0580 -238.4813 -205.9730 559100.1686 14.0897 14.0082 PRESSURE: 1027400 -91.5008 -93.011 -176.595 -93.0112 21.6657 130.477 -176.595 130.477 62.2712 GPRESSURE: 1027400 -92.1966 -133.694 -129.281 25.2415 62.4016 168.529 -162.264 47.2572 133.205 PRESSAVG: 1027400 -4.66018 -31.6719 0.733336 -31.6719 30.7044 42.9141 0.733277 42.9142 -20.3906 GPRESSAVG: 1027400 -4.80512 -30.2372 -0.374967 -33.0209 31.0528 46.4528 1.08456 43.253 -20.9388 TIMING: 1027400 CPU: 3086.62, 0.00301471/step Wall: 3086.62, 0.00301471/step, 3.32673 hours remaining, 207.457031 MB of memory in use. ENERGY: 1027400 750.2219 2079.5233 1953.5144 112.0738 -205900.3652 17720.0436 0.0000 0.0000 34380.6265 -148904.3617 300.2546 -183284.9882 -148802.7711 300.2815 -2.5213 34.4699 556576.6583 1.8845 1.7696 PRESSURE: 1027600 143.959 86.6508 -137.75 86.6516 4.34614 77.793 -137.749 77.7936 -150.176 GPRESSURE: 1027600 191.05 88.7876 -175.824 119.025 18.1371 123.322 -79.9927 24.9781 -113.341 PRESSAVG: 1027600 37.132 0.585609 20.5974 0.585595 -31.6693 7.76379 20.5974 7.7637 -9.50076 GPRESSAVG: 1027600 37.6594 0.802907 21.488 -0.0172239 -33.0182 4.16807 21.4155 8.30513 -8.59779 TIMING: 1027600 CPU: 3087.22, 0.0030258/step Wall: 3087.22, 0.0030258/step, 3.3388 hours remaining, 207.457031 MB of memory in use. ENERGY: 1027600 730.1427 2053.8796 1929.6560 117.0674 -205923.6518 17779.6391 0.0000 0.0000 34284.6747 -149028.5923 299.4166 -183313.2670 -148930.4902 299.7313 -0.6235 31.9485 558195.8524 -1.3460 -1.3189 PRESSURE: 1027800 116.9 71.5186 67.5917 71.5189 -34.6158 47.4319 67.5913 47.4321 -110.404 GPRESSURE: 1027800 172.967 68.1594 120.818 103.548 53.7022 50.7023 59.4081 37.6203 -173.666 PRESSAVG: 1027800 16.8577 -34.3807 17.5702 -34.3807 43.3319 1.29046 17.5702 1.29038 -82.7484 GPRESSAVG: 1027800 16.2864 -33.4989 18.4939 -34.3413 43.6474 2.94362 17.5607 1.4924 -82.2479 TIMING: 1027800 CPU: 3087.83, 0.00303513/step Wall: 3087.83, 0.00303513/step, 3.34893 hours remaining, 207.457031 MB of memory in use. ENERGY: 1027800 743.5716 2047.4234 1949.6653 95.0467 -205934.6053 17571.2322 0.0000 0.0000 34545.9028 -148981.7633 301.6980 -183527.6661 -148889.0514 300.3935 -9.3735 17.6677 556002.9449 -7.5196 -7.4381 PRESSURE: 1028000 -4.18967 -7.54235 -5.01152 -7.54258 156.035 -15.8618 -5.01094 -15.8618 -187.349 GPRESSURE: 1028000 28.9305 -122.17 -1.8605 158.553 192.178 -69.7141 2.63668 -6.83624 -162.28 PRESSAVG: 1028000 6.24828 12.3466 -17.0447 12.3467 63.1596 -14.3048 -17.0447 -14.3048 -72.9189 GPRESSAVG: 1028000 6.51278 11.6408 -18.5782 13.4594 64.4432 -14.6471 -15.7499 -13.8695 -74.5526 TIMING: 1028000 CPU: 3088.43, 0.00302671/step Wall: 3088.43, 0.00302671/step, 3.33947 hours remaining, 207.457031 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: 1028000 716.9110 2080.2353 1931.8899 109.7775 -205974.9304 17639.4129 0.0000 0.0000 34482.2104 -149014.4934 301.1417 -183496.7038 -148917.2726 300.7294 -11.8347 19.6096 556624.6974 -1.1704 -1.1988 PRESSURE: 1028200 -113.046 26.7732 25.8324 26.7729 -182.665 71.6864 25.832 71.6898 -83.7772 GPRESSURE: 1028200 -52.1211 19.7086 93.0024 -0.835013 -170.869 -44.1818 35.8328 144.953 -61.7477 PRESSAVG: 1028200 37.6317 -33.2402 -17.2784 -33.24 43.2511 -21.8867 -17.2784 -21.8866 -97.6513 GPRESSAVG: 1028200 37.616 -35.2978 -17.7954 -33.3803 43.1947 -21.8787 -17.1249 -22.3527 -97.5975 TIMING: 1028200 CPU: 3089.04, 0.00302979/step Wall: 3089.04, 0.00302979/step, 3.34269 hours remaining, 207.457031 MB of memory in use. ENERGY: 1028200 748.8702 2033.9683 1938.4099 112.3425 -205781.1935 17597.2728 0.0000 0.0000 34286.2807 -149064.0491 299.4306 -183350.3298 -148969.9140 299.7847 -126.4963 -94.9127 559118.8256 -5.5895 -5.5956 LDB: ============= START OF LOAD BALANCING ============== 3092.56 LDB: ============== END OF LOAD BALANCING =============== 3092.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3092.56 LDB: ============= START OF LOAD BALANCING ============== 3092.87 LDB: Largest compute 4800 load 0.030147 is 25.6% of average load 0.117808 LDB: Average compute 0.001742 is 1.5% of average load 0.117808 LDB: TIME 3092.87 LOAD: AVG 0.117808 MAX 0.208777 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.738 MB LDB: TIME 3092.87 LOAD: AVG 0.117808 MAX 0.208777 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.941 MB LDB: TIME 3092.87 LOAD: AVG 0.117808 MAX 0.208777 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.941 MB LDB: ============== END OF LOAD BALANCING =============== 3092.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3092.87 PRESSURE: 1028400 -46.724 115.58 -135.615 115.581 84.4273 151.119 -135.615 151.119 -143.571 GPRESSURE: 1028400 15.8918 66.825 -79.7321 157.672 87.5438 207.438 -97.0797 103.771 -110.153 PRESSAVG: 1028400 65.5803 4.75574 -53.2113 4.75568 50.7381 38.5056 -53.2113 38.5056 -50.4966 GPRESSAVG: 1028400 65.5743 5.23859 -52.4243 5.01189 50.6495 39.6841 -53.7706 39.1286 -49.8066 TIMING: 1028400 CPU: 3089.66, 0.00308978/step Wall: 3089.66, 0.00308978/step, 3.40872 hours remaining, 208.875000 MB of memory in use. ENERGY: 1028400 786.2524 2089.5364 1957.5825 98.3309 -206111.8772 17790.3554 0.0000 0.0000 34276.6531 -149113.1665 299.3465 -183389.8196 -149023.2144 299.8214 -35.2892 -2.2392 557849.8712 21.9406 22.1391 PRESSURE: 1028600 78.9959 88.6268 -45.5764 88.6276 -101.897 23.6588 -45.5766 23.6572 -365.99 GPRESSURE: 1028600 79.1844 -11.4511 -92.0836 115.812 -65.312 15.4018 -4.12001 78.0202 -306.457 PRESSAVG: 1028600 -18.9156 6.56202 -18.7829 6.56206 7.59886 47.4959 -18.783 47.4959 -56.9163 GPRESSAVG: 1028600 -18.6803 8.41468 -18.972 5.24028 6.71801 47.0618 -18.0031 46.8909 -56.4977 TIMING: 1028600 CPU: 3090.26, 0.00299903/step Wall: 3090.26, 0.00299903/step, 3.30843 hours remaining, 208.875000 MB of memory in use. ENERGY: 1028600 751.3951 2095.9380 1929.9094 127.7813 -205686.9531 17494.4142 0.0000 0.0000 34395.7825 -148891.7325 300.3869 -183287.5150 -148795.9447 299.8489 -129.6304 -97.5283 557837.3105 -22.7444 -22.8200 PRESSURE: 1028800 -54.6651 109.64 -83.0734 109.639 -102.729 -161.03 -83.0722 -161.03 90.4857 GPRESSURE: 1028800 -35.658 186.349 -25.4986 122.044 -87.8572 -148.291 -54.2228 -136.664 157.518 PRESSAVG: 1028800 -34.4052 20.3099 -48.8626 20.3098 1.48119 -12.9379 -48.8626 -12.9379 9.74446 GPRESSAVG: 1028800 -34.0665 20.4374 -48.9484 20.4531 1.40882 -13.8265 -49.1271 -12.5434 9.40653 TIMING: 1028800 CPU: 3090.86, 0.00299237/step Wall: 3090.86, 0.00299237/step, 3.30092 hours remaining, 208.875000 MB of memory in use. ENERGY: 1028800 708.2004 2047.7317 1940.1725 104.6342 -205783.8050 17483.8351 0.0000 0.0000 34579.6928 -148919.5384 301.9931 -183499.2312 -148826.0791 300.1481 -22.3027 11.3341 557400.6048 -7.7265 -7.7504 PRESSURE: 1029000 -96.167 -52.3955 -202.419 -52.3964 183.968 -65.0315 -202.419 -65.0324 -28.0459 GPRESSURE: 1029000 -94.7111 -54.6916 -93.3632 -32.4755 215.021 -80.2427 -288.346 -37.143 44.4522 PRESSAVG: 1029000 10.1505 4.61539 -57.9269 4.61538 43.3544 27.8827 -57.9269 27.8827 -9.88657 GPRESSAVG: 1029000 9.70283 3.39328 -58.1581 3.94229 43.0957 29.8608 -58.6277 27.4761 -9.60657 TIMING: 1029000 CPU: 3091.47, 0.0030499/step Wall: 3091.47, 0.0030499/step, 3.36421 hours remaining, 208.875000 MB of memory in use. ENERGY: 1029000 736.2469 2142.7659 1926.8135 112.7951 -205933.7767 17575.6381 0.0000 0.0000 34362.3700 -149077.1474 300.0951 -183439.5173 -148984.4368 300.0329 19.9182 54.9205 556419.8146 14.5395 14.3973 PRESSURE: 1029200 -303.699 -24.1013 -48.2863 -24.102 36.8023 124.343 -48.2859 124.341 -192.705 GPRESSURE: 1029200 -242.57 -3.77491 -40.906 -21.5767 44.4899 122.095 22.9012 105.999 -161.075 PRESSAVG: 1029200 -14.3379 18.3399 -15.4841 18.3397 -48.4315 29.4548 -15.4841 29.4547 50.0845 GPRESSAVG: 1029200 -13.9784 19.6397 -14.2282 18.2524 -48.0782 28.5719 -16.0689 29.7728 49.2062 TIMING: 1029200 CPU: 3092.07, 0.00302882/step Wall: 3092.07, 0.00302882/step, 3.34079 hours remaining, 208.875000 MB of memory in use. ENERGY: 1029200 747.5073 2099.8980 1959.0571 109.5971 -206111.0170 17537.5467 0.0000 0.0000 34502.7806 -149154.6302 301.3214 -183657.4108 -149059.4699 299.2947 -153.2005 -119.7184 557222.3513 -4.2283 -4.2835 PRESSURE: 1029400 24.1991 145.683 -69.197 145.684 191.287 -122.821 -69.1975 -122.822 -70.2377 GPRESSURE: 1029400 34.1795 97.8817 -91.3166 60.2703 184.884 -62.7762 -101.133 -61.3844 24.0825 PRESSAVG: 1029400 -3.2361 -3.92985 -21.4039 -3.92975 -12.3167 43.0416 -21.4039 43.0417 3.81395 GPRESSAVG: 1029400 -4.05121 -6.92785 -23.1759 -1.52255 -12.2648 42.3481 -20.234 44.2713 3.84565 TIMING: 1029400 CPU: 3092.68, 0.00306467/step Wall: 3092.68, 0.00306467/step, 3.38016 hours remaining, 208.875000 MB of memory in use. ENERGY: 1029400 747.5584 2102.1508 1967.2512 107.8463 -206250.9554 18008.9019 0.0000 0.0000 34252.8658 -149064.3812 299.1388 -183317.2470 -148972.4414 299.9589 48.4162 81.0488 557176.6170 -3.9130 -4.1568 PRESSURE: 1029600 47.515 189.58 50.286 189.58 -75.9337 -15.9821 50.2868 -15.9831 -106.354 GPRESSURE: 1029600 135.765 126.597 78.8514 141.492 -45.6604 -35.4525 -8.78372 -23.2533 -126.825 PRESSAVG: 1029600 -2.12051 40.2142 -20.5344 40.2143 17.4886 -5.30819 -20.5344 -5.30802 -18.9438 GPRESSAVG: 1029600 -0.786968 41.6836 -19.6389 39.5665 16.8964 -4.36479 -19.6408 -4.90639 -20.0339 TIMING: 1029600 CPU: 3093.29, 0.00303529/step Wall: 3093.29, 0.00303529/step, 3.34759 hours remaining, 208.875000 MB of memory in use. ENERGY: 1029600 740.3631 2060.6578 1937.1833 131.3261 -206245.9968 17868.0284 0.0000 0.0000 34374.0350 -149134.4029 300.1970 -183508.4380 -149042.0377 299.6931 -44.9242 -12.2401 557283.4536 -1.1919 -1.3082 PRESSURE: 1029800 31.7571 177.672 16.1584 177.672 65.4732 190.616 16.1585 190.617 184.909 GPRESSURE: 1029800 75.3476 121.806 45.8097 196.482 108.008 194.309 21.6268 243.74 198.944 PRESSAVG: 1029800 79.9282 83.5098 -31.0299 83.5098 -53.7773 64.8045 -31.0299 64.8045 -38.242 GPRESSAVG: 1029800 80.0866 83.5717 -28.7727 82.6252 -53.6318 65.1412 -32.0391 65.6658 -38.6589 TIMING: 1029800 CPU: 3093.91, 0.00307473/step Wall: 3093.91, 0.00307473/step, 3.39091 hours remaining, 208.875000 MB of memory in use. ENERGY: 1029800 705.8161 2044.4990 1915.4246 118.8224 -206100.8694 17912.7414 0.0000 0.0000 34181.5727 -149221.9932 298.5162 -183403.5659 -149130.3818 299.9802 94.0464 127.4333 558581.3549 -4.0304 -4.0680 PRESSURE: 1030000 10.2305 -9.76853 50.8007 -9.76966 -67.7607 88.6941 50.8016 88.6969 -25.3271 GPRESSURE: 1030000 86.5636 -41.8907 -12.3538 55.2796 -54.6131 47.0958 67.5943 109.07 -12.1884 PRESSAVG: 1030000 11.2766 47.5496 34.6671 47.5496 -18.8821 67.3557 34.6671 67.3556 -10.8684 GPRESSAVG: 1030000 10.9547 47.9526 33.5445 48.3485 -18.4095 67.512 32.7535 64.1657 -10.3465 TIMING: 1030000 CPU: 3094.52, 0.00304636/step Wall: 3094.52, 0.00304636/step, 3.35946 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: 1030000 726.5437 2121.9213 1927.7960 120.1137 -206122.3278 17819.5697 0.0000 0.0000 34109.0443 -149297.3392 297.8828 -183406.3835 -149206.1708 299.3355 -27.6191 6.5874 558704.2093 -6.1580 -5.9338 PRESSURE: 1030200 -119.948 53.2845 -52.0252 53.2847 90.679 -42.0927 -52.0252 -42.0936 -413.545 GPRESSURE: 1030200 -89.85 100.893 -63.5116 24.1479 81.6981 64.129 -52.139 -101.26 -340.87 PRESSAVG: 1030200 -47.487 -9.58041 -22.5549 -9.58039 -21.5377 16.7469 -22.555 16.7468 50.9055 GPRESSAVG: 1030200 -48.4946 -8.54353 -22.9524 -11.4259 -20.0961 17.4277 -20.4169 15.748 50.6679 TIMING: 1030200 CPU: 3095.12, 0.00300198/step Wall: 3095.12, 0.00300198/step, 3.31036 hours remaining, 208.875000 MB of memory in use. ENERGY: 1030200 760.5341 2108.8701 1900.0251 109.0577 -206029.5876 17537.1748 0.0000 0.0000 34314.4245 -149299.5012 299.6764 -183613.9257 -149199.7669 298.7197 -147.6048 -116.3405 558403.5530 -6.0397 -5.9743 PRESSURE: 1030400 -236.789 64.8422 1.48323 64.8402 -158.871 54.3034 1.4836 54.3032 -333.684 GPRESSURE: 1030400 -140.973 68.0523 60.1945 -32.5409 -151.698 -0.94412 -11.871 44.5628 -335.385 PRESSAVG: 1030400 -59.0634 -39.1468 5.90366 -39.1468 49.3239 4.77063 5.90358 4.77057 -1.32297 GPRESSAVG: 1030400 -58.3343 -38.9695 5.74045 -39.113 48.0678 3.45775 4.30648 5.27825 -0.295559 TIMING: 1030400 CPU: 3095.72, 0.00299694/step Wall: 3095.72, 0.00299694/step, 3.30463 hours remaining, 208.875000 MB of memory in use. ENERGY: 1030400 772.0287 2108.7308 1914.4277 126.0995 -205924.4593 17529.5262 0.0000 0.0000 34185.6504 -149287.9960 298.5518 -183473.6465 -149190.7453 298.9993 -243.1148 -209.3518 558139.2058 -3.6875 -3.5207 PRESSURE: 1030600 42.6516 -63.4442 18.4029 -63.4438 19.8736 -138.507 18.4015 -138.507 196.768 GPRESSURE: 1030600 70.8645 -6.17613 -35.4407 -102.796 52.931 -120.772 22.0273 -129.116 233.564 PRESSAVG: 1030600 -33.2201 58.0304 18.6022 58.0304 46.6507 -2.14205 18.6023 -2.14185 -10.0502 GPRESSAVG: 1030600 -34.4712 57.3061 17.5367 58.2155 47.5397 -2.04085 21.4707 -1.85067 -9.70853 TIMING: 1030600 CPU: 3096.32, 0.00299772/step Wall: 3096.32, 0.00299772/step, 3.30532 hours remaining, 208.875000 MB of memory in use. ENERGY: 1030600 769.8622 2098.0257 1960.5767 109.6826 -206674.7117 18025.2538 0.0000 0.0000 34469.9278 -149241.3829 301.0345 -183711.3108 -149147.7267 299.9504 86.4309 119.1198 556248.4332 1.1268 1.1200 PRESSURE: 1030800 92.4626 23.5181 88.1834 23.518 41.0964 78.3618 88.182 78.3634 39.3784 GPRESSURE: 1030800 163.803 51.2196 56.1726 9.77342 33.9548 84.0916 89.1375 35.0322 70.4565 PRESSAVG: 1030800 -72.981 -5.2539 28.1664 -5.25387 43.9902 0.698814 28.1664 0.698796 64.895 GPRESSAVG: 1030800 -71.2413 -6.41758 29.4604 -2.86251 44.3683 0.984283 26.8498 0.106989 63.5626 TIMING: 1030800 CPU: 3096.91, 0.00299201/step Wall: 3096.91, 0.00299201/step, 3.29886 hours remaining, 208.875000 MB of memory in use. ENERGY: 1030800 755.8569 2090.5602 1910.2800 104.5757 -206364.7151 17885.3522 0.0000 0.0000 34469.6990 -149148.3912 301.0325 -183618.0902 -149049.4980 300.2657 57.6458 89.4049 557460.4348 11.9681 12.2299 PRESSURE: 1031000 178.809 207.81 -18.2317 207.81 87.3535 -101.381 -18.2316 -101.38 -166.328 GPRESSURE: 1031000 176.612 216.122 -10.2589 166.57 158.844 -22.8605 -24.1692 -122.675 -130.09 PRESSAVG: 1031000 -12.7588 74.7752 15.1356 74.7751 -28.3963 33.5449 15.1356 33.5449 -24.6611 GPRESSAVG: 1031000 -12.9169 76.0566 16.7944 72.4352 -28.5135 33.8803 13.6415 34.0268 -24.197 TIMING: 1031000 CPU: 3097.51, 0.00299917/step Wall: 3097.51, 0.00299917/step, 3.30658 hours remaining, 208.875000 MB of memory in use. ENERGY: 1031000 747.0898 2164.4208 1926.5240 111.2163 -206103.1114 17768.9514 0.0000 0.0000 34421.8044 -148963.1047 300.6142 -183384.9091 -148868.8158 299.9202 33.2780 68.4556 557381.6757 -21.9388 -21.8758 PRESSURE: 1031200 104.614 309.165 115.177 309.166 -19.7316 -72.9996 115.176 -72.9997 -124.837 GPRESSURE: 1031200 101.76 319.264 173.792 271.265 18.8235 -64.6041 75.8366 -102.861 -72.5009 PRESSAVG: 1031200 -10.7207 72.1865 24.9862 72.1866 49.9756 33.6327 24.9862 33.6328 -36.7576 GPRESSAVG: 1031200 -10.9951 71.4566 24.165 71.9005 50.3827 33.3685 25.4262 35.284 -36.7571 TIMING: 1031200 CPU: 3098.12, 0.00300753/step Wall: 3098.12, 0.00300753/step, 3.31563 hours remaining, 208.875000 MB of memory in use. ENERGY: 1031200 762.2003 2132.7918 1911.3520 108.3198 -206195.6915 18001.4278 0.0000 0.0000 34154.9079 -149124.6919 298.2833 -183279.5998 -149030.5892 299.6617 -13.3184 16.0275 557689.0724 0.8325 0.8769 PRESSURE: 1031400 -144.191 -125.902 -4.67905 -125.903 156.955 6.13137 -4.67909 6.13108 -69.0316 GPRESSURE: 1031400 -94.9848 -170.682 15.4927 -140.681 159.834 55.1105 -4.72209 -28.8247 -13.8246 PRESSAVG: 1031400 -33.3134 20.0681 -36.4399 20.0681 36.5398 9.71644 -36.4399 9.71653 -8.30786 GPRESSAVG: 1031400 -32.2031 20.8733 -37.8239 20.6697 35.5693 11.684 -34.3782 7.54735 -8.78489 TIMING: 1031400 CPU: 3098.72, 0.00300608/step Wall: 3098.72, 0.00300608/step, 3.31387 hours remaining, 208.875000 MB of memory in use. ENERGY: 1031400 704.9768 2113.6526 1947.2231 109.1154 -206236.0352 17705.2648 0.0000 0.0000 34328.8857 -149326.9168 299.8027 -183655.8025 -149228.4782 299.3021 -18.7558 17.0082 556208.9954 -1.6938 -1.8062 PRESSURE: 1031600 -35.9492 -103.86 21.7701 -103.861 -273.161 36.9607 21.7701 36.9594 -293.323 GPRESSURE: 1031600 -16.9565 -110.387 50.2594 -109.086 -246.979 -3.25909 -26.9136 53.8777 -233.809 PRESSAVG: 1031600 -15.9234 8.42992 -28.4901 8.42985 12.7639 72.8791 -28.49 72.8792 9.98755 GPRESSAVG: 1031600 -17.3841 7.58767 -27.8379 8.13737 13.389 71.8211 -30.2314 73.2403 10.4537 TIMING: 1031600 CPU: 3099.32, 0.00301339/step Wall: 3099.32, 0.00301339/step, 3.32176 hours remaining, 208.875000 MB of memory in use. ENERGY: 1031600 741.4943 2092.3407 1929.3226 98.3584 -205812.9943 17549.7449 0.0000 0.0000 34127.2120 -149274.5214 298.0414 -183401.7334 -149174.0227 298.8554 -200.8108 -165.9148 558731.7957 2.2760 2.1529 PRESSURE: 1031800 102.427 15.3849 187.616 15.3853 -86.2655 -71.6887 187.616 -71.6887 -82.1371 GPRESSURE: 1031800 82.2649 90.7977 264.692 -61.4941 -42.8977 -118.854 189.608 -69.4932 -22.6067 PRESSAVG: 1031800 20.6139 10.2721 -25.0098 10.2722 -22.1754 7.95829 -25.0099 7.95837 -39.8 GPRESSAVG: 1031800 20.0019 11.0712 -26.4447 9.32631 -21.8022 8.49785 -23.7599 7.36242 -39.7861 TIMING: 1031800 CPU: 3099.92, 0.00299676/step Wall: 3099.92, 0.00299676/step, 3.30327 hours remaining, 208.875000 MB of memory in use. ENERGY: 1031800 749.8735 2065.1566 1908.1744 105.4014 -206313.6020 17913.3208 0.0000 0.0000 34114.2334 -149457.4419 297.9281 -183571.6753 -149350.3110 298.9499 -21.9918 5.5868 558621.3880 -13.7872 -13.8621 PRESSURE: 1032000 81.596 -65.632 -187.16 -65.6321 106.259 -4.54824 -187.16 -4.54936 -302.821 GPRESSURE: 1032000 94.6352 -105.128 -231.995 -63.6513 145.074 35.4413 -115.572 -78.2607 -241.835 PRESSAVG: 1032000 -21.3107 -14.4116 21.9344 -14.4116 22.6412 -16.5225 21.9343 -16.5225 7.25138 GPRESSAVG: 1032000 -21.8513 -14.9352 24.0528 -13.66 22.3462 -18.4176 21.1043 -16.0502 7.8681 TIMING: 1032000 CPU: 3100.52, 0.00299237/step Wall: 3100.52, 0.00299237/step, 3.29826 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: 1032000 735.1428 2095.1970 1932.8917 115.9938 -206213.8383 17859.8924 0.0000 0.0000 34161.6019 -149313.1187 298.3418 -183474.7206 -149217.1019 299.1245 -38.3220 -0.7084 557950.3168 2.8606 2.7877 PRESSURE: 1032200 -26.8035 -103.235 -101.622 -103.234 122.336 33.393 -101.624 33.3935 -373.412 GPRESSURE: 1032200 -52.7108 -49.3656 -82.0765 -28.1799 148.237 86.8386 -85.4041 68.1889 -270.979 PRESSAVG: 1032200 -2.06328 -3.23368 -42.0073 -3.23374 74.8223 16.1734 -42.0072 16.1734 -30.4757 GPRESSAVG: 1032200 -1.36443 -4.8002 -42.3202 -2.94044 74.2058 17.0326 -41.7724 15.7243 -31.2679 TIMING: 1032200 CPU: 3101.11, 0.00297692/step Wall: 3101.11, 0.00297692/step, 3.28106 hours remaining, 208.875000 MB of memory in use. ENERGY: 1032200 762.4957 2052.0480 1939.9983 103.2197 -206392.8333 17830.6778 0.0000 0.0000 34203.6577 -149500.7361 298.7090 -183704.3938 -149405.9060 298.3787 -92.6267 -58.4843 557909.9679 14.0944 13.8578 LDB: ============= START OF LOAD BALANCING ============== 3104.63 LDB: ============== END OF LOAD BALANCING =============== 3104.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3104.63 LDB: ============= START OF LOAD BALANCING ============== 3104.93 LDB: Largest compute 4800 load 0.029392 is 24.9% of average load 0.117898 LDB: Average compute 0.001743 is 1.5% of average load 0.117898 LDB: TIME 3104.93 LOAD: AVG 0.117898 MAX 0.207428 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.68 MB LDB: TIME 3104.93 LOAD: AVG 0.117898 MAX 0.207428 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.883 MB LDB: TIME 3104.93 LOAD: AVG 0.117898 MAX 0.207428 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.883 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3104.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3104.94 PRESSURE: 1032400 -14.2367 -115.306 -102.337 -115.306 -3.57151 33.4181 -102.336 33.4193 -112.058 GPRESSURE: 1032400 1.06612 -99.3184 -131.947 -90.4127 71.3514 15.791 -83.6444 40.7338 -88.6819 PRESSAVG: 1032400 -70.9681 -8.69642 -21.1155 -8.69646 56.7374 2.13807 -21.1155 2.13802 -17.958 GPRESSAVG: 1032400 -71.7655 -5.59557 -21.6518 -8.97806 57.6623 1.22333 -20.0236 5.43976 -18.2914 TIMING: 1032400 CPU: 3101.72, 0.00305921/step Wall: 3101.72, 0.00305921/step, 3.37159 hours remaining, 208.679688 MB of memory in use. ENERGY: 1032400 731.9595 2086.3345 1936.3949 116.3470 -206289.2206 17840.1124 0.0000 0.0000 34063.1543 -149514.9181 297.4820 -183578.0724 -149428.1454 298.0138 -43.2886 -5.4214 556661.6043 -10.7296 -10.7982 PRESSURE: 1032600 -200.65 -53.0863 -46.5841 -53.086 69.0881 106.453 -46.5852 106.454 -75.5525 GPRESSURE: 1032600 -120.128 -29.8119 -74.3389 -138.293 80.8321 86.3741 -1.07118 167.631 -65.1367 PRESSAVG: 1032600 18.6753 1.10782 -29.638 1.10779 27.5975 33.4673 -29.638 33.4671 -16.5447 GPRESSAVG: 1032600 18.3846 0.720494 -30.0852 -0.470447 28.1542 33.8703 -31.4346 31.5058 -16.2801 TIMING: 1032600 CPU: 3102.32, 0.00299812/step Wall: 3102.32, 0.00299812/step, 3.3041 hours remaining, 208.882812 MB of memory in use. ENERGY: 1032600 746.5903 2101.3384 1959.1900 126.7695 -206296.0486 17907.8062 0.0000 0.0000 34174.2318 -149280.1224 298.4521 -183454.3542 -149183.1784 299.2139 -69.0383 -34.8108 557755.8359 9.9094 10.0863 PRESSURE: 1032800 -183.022 -201.072 22.5353 -201.072 78.9634 158.263 22.5354 158.262 128.324 GPRESSURE: 1032800 -154.037 -287.589 -75.2529 -210.858 105.787 125.829 9.42806 193.57 161.53 PRESSAVG: 1032800 -8.60375 -16.289 19.8922 -16.289 25.474 55.9132 19.8923 55.9133 18.6526 GPRESSAVG: 1032800 -8.59803 -16.3318 21.3033 -15.2177 25.4276 54.6232 19.8271 55.5613 18.5067 TIMING: 1032800 CPU: 3102.93, 0.00302957/step Wall: 3102.93, 0.00302957/step, 3.33859 hours remaining, 208.882812 MB of memory in use. ENERGY: 1032800 740.2110 2057.0119 1952.4596 114.1247 -206457.7564 17901.2403 0.0000 0.0000 34339.8684 -149352.8404 299.8986 -183692.7088 -149262.2343 299.5829 8.0884 37.7601 556591.1028 11.8409 11.7787 PRESSURE: 1033000 -157.8 -107.805 31.3321 -107.805 -31.1364 -13.4552 31.3332 -13.457 96.0952 GPRESSURE: 1033000 -97.4769 -153.457 -42.5244 -76.5356 -35.6298 -43.5355 16.0958 53.8263 131.099 PRESSAVG: 1033000 40.0239 -32.861 32.0431 -32.8609 -14.9795 2.33479 32.0431 2.33466 -4.95953 GPRESSAVG: 1033000 41.3259 -35.2432 30.6981 -32.4398 -17.2632 3.73792 32.2449 2.88173 -4.52206 TIMING: 1033000 CPU: 3103.53, 0.00301536/step Wall: 3103.53, 0.00301536/step, 3.32275 hours remaining, 208.882812 MB of memory in use. ENERGY: 1033000 705.9103 2040.2553 1962.6417 106.4784 -205992.4262 17534.8212 0.0000 0.0000 34141.1844 -149501.1349 298.1635 -183642.3193 -149409.4446 299.1942 -30.9469 -0.6693 556641.7640 6.6950 6.5136 PRESSURE: 1033200 225.104 98.4153 -140.773 98.4146 271.718 -4.57539 -140.773 -4.57427 261.914 GPRESSURE: 1033200 216.808 84.3221 -163.573 90.9799 352.967 -29.1049 -56.6403 -25.6231 292.735 PRESSAVG: 1033200 -3.93436 27.9297 22.7494 27.9297 37.4446 3.0031 22.7493 3.00308 19.4135 GPRESSAVG: 1033200 -3.91383 27.1306 20.9105 31.7104 37.3824 3.04577 22.8101 2.79147 19.0612 TIMING: 1033200 CPU: 3104.13, 0.0030043/step Wall: 3104.13, 0.0030043/step, 3.31041 hours remaining, 208.882812 MB of memory in use. ENERGY: 1033200 709.8361 2073.2365 1936.2944 103.0087 -206806.1021 18210.9724 0.0000 0.0000 34447.5040 -149325.2500 300.8386 -183772.7540 -149225.7639 298.7597 252.9119 287.5031 556639.9643 17.6413 17.5099 PRESSURE: 1033400 127.552 98.1853 -3.2465 98.1861 -55.6547 9.63699 -3.24739 9.6352 -172.778 GPRESSURE: 1033400 189.525 61.8624 -117.456 130.602 -51.6815 -22.5997 -9.74296 -43.5788 -140.24 PRESSAVG: 1033400 -58.2691 -10.5244 27.1477 -10.5245 42.1546 44.9364 27.1478 44.9363 62.6454 GPRESSAVG: 1033400 -59.0515 -9.17621 27.6521 -16.0642 43.3157 44.3945 27.0589 43.7228 62.4764 TIMING: 1033400 CPU: 3104.73, 0.00300574/step Wall: 3104.73, 0.00300574/step, 3.31183 hours remaining, 208.882812 MB of memory in use. ENERGY: 1033400 738.6220 2008.5756 1961.6376 107.9203 -206324.5718 17711.4324 0.0000 0.0000 34501.1876 -149295.1963 301.3075 -183796.3839 -149193.3637 299.4668 -33.6268 -0.7988 557176.8254 15.5103 15.5802 PRESSURE: 1033600 -168.673 27.19 64.1073 27.1909 -131.881 51.5612 64.1064 51.5614 -20.7562 GPRESSURE: 1033600 -121.282 -46.2505 73.6308 30.2787 -108.706 127.831 21.0967 68.5873 2.34132 PRESSAVG: 1033600 -3.70928 -47.519 36.3332 -47.5191 -6.13344 -45.2775 36.3332 -45.2776 -3.31911 GPRESSAVG: 1033600 -4.12512 -47.4638 37.8162 -46.0751 -6.09079 -44.2552 36.0763 -44.407 -2.81029 TIMING: 1033600 CPU: 3105.34, 0.0030414/step Wall: 3105.34, 0.0030414/step, 3.35095 hours remaining, 208.882812 MB of memory in use. ENERGY: 1033600 745.6295 2090.7662 1932.4793 115.2110 -206032.9307 17718.7188 0.0000 0.0000 34215.6595 -149214.4663 298.8139 -183430.1258 -149112.4762 298.6622 -107.1032 -75.8823 558300.4141 -4.3873 -4.3421 PRESSURE: 1033800 -2.24681 -93.989 -144.243 -93.9889 -2.7807 -108.247 -144.244 -108.247 28.5151 GPRESSURE: 1033800 44.7336 -22.1011 -148.011 -123.784 32.689 -80.8116 -145.458 -84.5501 41.0396 PRESSAVG: 1033800 -80.738 -4.06281 -32.168 -4.06293 15.7934 37.932 -32.1681 37.9321 98.2307 GPRESSAVG: 1033800 -79.9326 -4.86848 -32.3893 -3.73603 15.7843 36.6428 -32.8944 37.8067 97.0708 TIMING: 1033800 CPU: 3105.96, 0.00306746/step Wall: 3105.96, 0.00306746/step, 3.37949 hours remaining, 208.882812 MB of memory in use. ENERGY: 1033800 717.8920 2055.1368 1936.8296 120.4265 -206346.7158 18137.6838 0.0000 0.0000 34227.5629 -149151.1841 298.9178 -183378.7471 -149054.7681 298.9126 7.8292 39.4874 559518.3092 11.0954 10.9742 PRESSURE: 1034000 -329.203 4.77246 55.3874 4.77251 -6.7241 19.0863 55.3874 19.0868 -105.677 GPRESSURE: 1034000 -279.613 8.18074 156.887 -38.6941 -11.4774 6.11005 -15.9571 29.1359 -63.5341 PRESSAVG: 1034000 -17.3024 -37.8237 11.0481 -37.8238 6.41867 31.2506 11.0482 31.2507 6.18887 GPRESSAVG: 1034000 -17.9506 -36.7475 11.8308 -39.1478 6.33634 32.3888 11.328 30.9778 7.10399 TIMING: 1034000 CPU: 3106.57, 0.00304642/step Wall: 3106.57, 0.00304642/step, 3.35614 hours remaining, 208.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1034000 749.2302 2097.9361 1922.9031 129.1958 -205887.5479 17684.4287 0.0000 0.0000 34148.8377 -149155.0163 298.2303 -183303.8541 -149053.4982 299.1963 -147.2015 -118.2081 559152.8659 -1.5649 -1.5034 PRESSURE: 1034200 220.631 -174.122 -37.1111 -174.121 40.692 52.7082 -37.1103 52.7051 13.4604 GPRESSURE: 1034200 220.79 -118.007 -18.7096 -126.218 98.0723 85.5156 -73.1168 32.3117 49.9219 PRESSAVG: 1034200 -24.4449 -18.3373 -5.24716 -18.3374 -45.4663 6.78003 -5.24718 6.78013 43.6393 GPRESSAVG: 1034200 -23.7885 -17.6515 -5.54532 -17.8961 -45.2788 4.6668 -6.02875 7.12517 42.4816 TIMING: 1034200 CPU: 3107.17, 0.0030251/step Wall: 3107.17, 0.0030251/step, 3.33249 hours remaining, 208.882812 MB of memory in use. ENERGY: 1034200 725.4107 2071.1513 1963.2575 117.8147 -206328.9552 17909.3170 0.0000 0.0000 34461.1573 -149080.8466 300.9579 -183542.0040 -148983.1358 299.1960 91.5946 122.9280 557263.2642 -8.7573 -8.8619 PRESSURE: 1034400 -287.305 -113.557 90.4535 -113.556 -63.2939 50.7585 90.4537 50.759 88.9749 GPRESSURE: 1034400 -280.804 -112.032 48.0364 -87.2636 32.4347 16.475 12.0033 148.506 97.6521 PRESSAVG: 1034400 43.0268 -15.7857 -21.5923 -15.7856 -1.53907 24.9908 -21.5922 24.9908 -24.1946 GPRESSAVG: 1034400 41.0884 -16.7116 -22.7477 -16.3814 -0.967449 24.4742 -20.424 28.7376 -22.574 TIMING: 1034400 CPU: 3107.78, 0.00303345/step Wall: 3107.78, 0.00303345/step, 3.34152 hours remaining, 208.882812 MB of memory in use. ENERGY: 1034400 772.1427 2068.7763 1936.7034 105.3786 -206056.7963 17809.0044 0.0000 0.0000 34387.6473 -148977.1436 300.3159 -183364.7909 -148881.8024 299.9928 -87.2080 -50.2390 557991.3372 5.7644 5.8490 PRESSURE: 1034600 50.2661 46.515 -41.7489 46.5161 64.1256 201.588 -41.7494 201.59 -177.323 GPRESSURE: 1034600 119.694 3.16829 -32.899 18.3761 66.2141 149.008 23.007 196.143 -160.675 PRESSAVG: 1034600 -14.4785 68.5529 -13.5153 68.553 29.461 46.7025 -13.5153 46.7026 -42.8389 GPRESSAVG: 1034600 -13.2583 67.9389 -10.9732 71.0851 28.8675 48.0972 -14.637 42.2242 -43.1936 TIMING: 1034600 CPU: 3108.39, 0.00305576/step Wall: 3108.39, 0.00305576/step, 3.36592 hours remaining, 208.882812 MB of memory in use. ENERGY: 1034600 728.6481 2130.2506 1952.6001 122.4403 -206407.4125 17940.4513 0.0000 0.0000 34374.7771 -149158.2449 300.2035 -183533.0220 -149058.9206 299.7114 -20.9772 8.4110 557914.3001 -9.2855 -9.1948 PRESSURE: 1034800 26.28 -103.35 38.664 -103.35 -148.21 268.613 38.6639 268.614 -143.905 GPRESSURE: 1034800 79.7656 -91.2157 55.1438 -127.007 -115.907 246.715 84.6374 265.657 -127.053 PRESSAVG: 1034800 7.58656 28.6198 32.59 28.6197 54.4935 38.4304 32.59 38.4304 -29.7673 GPRESSAVG: 1034800 7.68655 28.2993 33.5574 27.3381 54.3994 38.7235 30.4699 37.9815 -29.4268 TIMING: 1034800 CPU: 3109, 0.0030436/step Wall: 3109, 0.0030436/step, 3.35235 hours remaining, 208.882812 MB of memory in use. ENERGY: 1034800 742.0803 2106.5147 1960.6173 117.6204 -206015.2387 17672.8425 0.0000 0.0000 34398.2592 -149017.3045 300.4086 -183415.5637 -148921.4591 300.2756 -88.6117 -54.3982 557392.1213 10.7709 10.8864 PRESSURE: 1035000 -348.189 139.127 -76.307 139.127 -68.2613 20.3375 -76.3078 20.3359 -273.96 GPRESSURE: 1035000 -272.716 60.6192 7.4803 231.709 -18.2579 -25.3235 16.8187 61.7213 -291.465 PRESSAVG: 1035000 -60.7608 69.0621 29.446 69.0621 53.9584 6.08527 29.446 6.08524 24.4428 GPRESSAVG: 1035000 -60.5163 70.0842 29.0319 69.4954 52.5876 6.05871 31.9817 7.44441 25.6127 TIMING: 1035000 CPU: 3109.6, 0.00302869/step Wall: 3109.6, 0.00302869/step, 3.33577 hours remaining, 208.882812 MB of memory in use. ENERGY: 1035000 741.6038 2067.2340 1965.9702 119.1654 -205626.7612 17433.0507 0.0000 0.0000 34285.2486 -149014.4885 299.4216 -183299.7370 -148914.2447 300.1259 -230.1367 -194.1462 557461.5404 5.8801 5.8947 PRESSURE: 1035200 -66.0811 75.0131 -76.4992 75.0133 35.2421 -168.885 -76.5005 -168.886 81.3512 GPRESSURE: 1035200 -29.8346 97.7929 13.0732 106.253 60.3441 -124.016 -101.813 -140.281 122.585 PRESSAVG: 1035200 3.48611 7.91703 40.8035 7.91698 -0.609145 -47.966 40.8035 -47.966 3.73184 GPRESSAVG: 1035200 2.68037 8.97829 38.8146 5.34832 1.00028 -46.2219 42.2704 -49.18 2.80782 TIMING: 1035200 CPU: 3110.22, 0.00306406/step Wall: 3110.22, 0.00306406/step, 3.37455 hours remaining, 208.882812 MB of memory in use. ENERGY: 1035200 745.7970 2095.3905 1925.9301 118.0591 -205988.6295 17724.5024 0.0000 0.0000 34329.1693 -149049.7811 299.8052 -183378.9504 -148953.0414 299.6413 16.8374 51.0314 558102.1664 2.2029 2.1628 PRESSURE: 1035400 -191.91 125.405 -127.87 125.406 -201.206 -119.25 -127.87 -119.249 -139.805 GPRESSURE: 1035400 -101.682 132.556 -42.6434 17.2448 -197.511 -39.5326 -204.116 -48.1899 -129.094 PRESSAVG: 1035400 -38.3243 45.3024 -2.19225 45.3024 35.0627 -70.9531 -2.19225 -70.953 -32.2009 GPRESSAVG: 1035400 -38.6247 45.7911 -1.57938 45.2627 35.6905 -72.8815 -3.7616 -69.9654 -32.4538 TIMING: 1035400 CPU: 3110.82, 0.00303218/step Wall: 3110.82, 0.00303218/step, 3.33927 hours remaining, 208.882812 MB of memory in use. ENERGY: 1035400 703.5294 2091.9096 1950.8905 116.2092 -205747.0524 17443.2426 0.0000 0.0000 34225.1049 -149216.1662 298.8964 -183441.2712 -149127.2297 299.9495 -177.6405 -142.7623 558494.6339 -11.8208 -11.7960 PRESSURE: 1035600 163.525 113.316 -26.942 113.316 -286.582 -191.563 -26.9423 -191.564 237.896 GPRESSURE: 1035600 116.833 110.486 -1.44064 84.5784 -191.703 -287.458 -1.5531 -46.1781 280.742 PRESSAVG: 1035600 79.5599 12.9263 -26.9987 12.9263 -33.5623 -31.8552 -26.9988 -31.8552 -37.1606 GPRESSAVG: 1035600 80.4923 13.3878 -25.5672 14.6773 -33.8367 -31.8801 -28.9889 -31.3514 -37.5818 TIMING: 1035600 CPU: 3111.43, 0.00302509/step Wall: 3111.43, 0.00302509/step, 3.3313 hours remaining, 208.882812 MB of memory in use. ENERGY: 1035600 736.3650 2108.8843 1943.9609 107.6912 -206273.9515 17833.6698 0.0000 0.0000 34405.0510 -149138.3293 300.4679 -183543.3803 -149042.3178 299.4656 38.2797 68.6241 558128.9490 2.9457 3.0246 PRESSURE: 1035800 -113.516 42.8482 95.3418 42.8475 2.55734 -89.0379 95.3417 -89.0378 80.6994 GPRESSURE: 1035800 -85.1998 2.02558 132.08 51.9415 30.5347 -67.5015 33.499 -74.9623 124.527 PRESSAVG: 1035800 42.4804 9.60266 25.9605 9.6026 -21.2147 -31.898 25.9606 -31.898 -8.81613 GPRESSAVG: 1035800 41.4175 7.22847 25.2063 8.57108 -20.8636 -32.0884 26.6533 -33.4166 -7.92749 TIMING: 1035800 CPU: 3112.03, 0.00303723/step Wall: 3112.03, 0.00303723/step, 3.3445 hours remaining, 208.882812 MB of memory in use. ENERGY: 1035800 714.5208 2096.2349 1935.6806 112.0744 -206170.6512 17750.4962 0.0000 0.0000 34535.5635 -149026.0809 301.6077 -183561.6444 -148925.7483 299.3200 -10.0865 23.2874 557998.7114 4.1499 4.2088 PRESSURE: 1036000 216.762 -256.365 131.196 -256.365 121.156 0.901067 131.198 0.901051 8.50652 GPRESSURE: 1036000 253.872 -290.286 186.022 -240.826 189.34 38.3583 98.7535 -3.426 -2.64385 PRESSAVG: 1036000 77.5498 -52.1872 8.53591 -52.1872 -50.0683 -18.64 8.53595 -18.6399 -37.5112 GPRESSAVG: 1036000 79.6812 -49.6994 9.44928 -52.283 -52.1119 -18.5342 8.83585 -19.5694 -38.1984 TIMING: 1036000 CPU: 3112.64, 0.0030327/step Wall: 3112.64, 0.0030327/step, 3.33934 hours remaining, 208.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1036000 743.9793 2066.4633 1947.1073 113.3610 -206175.9354 17919.5592 0.0000 0.0000 34359.3952 -149026.0700 300.0691 -183385.4652 -148927.6283 299.7828 115.4748 146.8561 557765.5817 -3.3432 -3.5431 PRESSURE: 1036200 200.786 3.53183 -186.783 3.53182 -34.0902 -32.9542 -186.783 -32.9525 -132.164 GPRESSURE: 1036200 213.645 -53.5851 -214.538 -1.15959 -3.955 -92.2064 -171.338 -87.9628 -74.6584 PRESSAVG: 1036200 33.8996 -84.4984 1.18103 -84.4984 2.67034 -25.4247 1.18097 -25.4248 -25.115 GPRESSAVG: 1036200 33.0965 -86.9385 -0.962824 -82.6051 3.97064 -22.5913 3.18089 -23.6127 -25.3774 TIMING: 1036200 CPU: 3113.25, 0.00302328/step Wall: 3113.25, 0.00302328/step, 3.3288 hours remaining, 208.882812 MB of memory in use. ENERGY: 1036200 731.0778 2123.3552 1928.5312 116.5408 -205998.6518 17546.3931 0.0000 0.0000 34437.1574 -149115.5963 300.7483 -183552.7537 -149020.9502 300.1957 11.5108 45.0106 556051.7261 3.8183 3.8966 LDB: ============= START OF LOAD BALANCING ============== 3116.77 LDB: ============== END OF LOAD BALANCING =============== 3116.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3116.77 LDB: ============= START OF LOAD BALANCING ============== 3117.07 LDB: Largest compute 4800 load 0.027919 is 23.7% of average load 0.117876 LDB: Average compute 0.001734 is 1.5% of average load 0.117876 LDB: TIME 3117.07 LOAD: AVG 0.117876 MAX 0.210379 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.457 MB LDB: TIME 3117.07 LOAD: AVG 0.117876 MAX 0.210379 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.66 MB LDB: TIME 3117.07 LOAD: AVG 0.117876 MAX 0.210379 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.66 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3117.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3117.08 PRESSURE: 1036400 -281.87 -102.847 4.70961 -102.847 -189.811 -180.647 4.71037 -180.646 -112.966 GPRESSURE: 1036400 -222.686 -179.395 72.9533 -8.30122 -141.621 -296.86 20.4739 -131.733 -127.467 PRESSAVG: 1036400 1.33563 11.0018 -31.4654 11.0017 96.4064 16.3629 -31.4653 16.3629 -62.5971 GPRESSAVG: 1036400 1.38221 9.75029 -29.3947 10.724 97.3917 13.4898 -34.6031 15.1865 -63.6115 TIMING: 1036400 CPU: 3113.86, 0.0030819/step Wall: 3113.86, 0.0030819/step, 3.39317 hours remaining, 208.226562 MB of memory in use. ENERGY: 1036400 771.8097 2080.7042 1978.9743 122.2704 -205948.3269 17581.5231 0.0000 0.0000 34457.5000 -148955.5451 300.9259 -183413.0451 -148860.4575 300.4957 -194.8821 -163.9248 558373.6509 11.7150 11.7208 PRESSURE: 1036600 -146.276 -42.3581 50.98 -42.3582 194.356 -8.92275 50.9792 -8.92222 -134.664 GPRESSURE: 1036600 -51.3737 -61.8971 88.8706 -23.6985 137.368 -38.0011 47.2383 30.2637 -80.9376 PRESSAVG: 1036600 -27.4512 -3.3718 -17.3436 -3.37179 45.7911 -45.2438 -17.3435 -45.2438 -0.273332 GPRESSAVG: 1036600 -27.8988 -0.299879 -18.2988 -5.87041 44.7945 -45.5983 -15.768 -44.0715 1.23497 TIMING: 1036600 CPU: 3114.46, 0.00299773/step Wall: 3114.46, 0.00299773/step, 3.30034 hours remaining, 208.429688 MB of memory in use. ENERGY: 1036600 751.5041 2095.4050 1939.3979 103.2774 -205946.9861 17681.6584 0.0000 0.0000 34342.9645 -149032.7786 299.9257 -183375.7432 -148948.2246 301.1213 -28.8612 1.6857 557500.8964 6.0222 6.0436 PRESSURE: 1036800 -84.0603 87.9314 31.7282 87.9317 -207.364 95.8453 31.7282 95.8438 51.9703 GPRESSURE: 1036800 -71.4104 82.7392 -43.4654 72.0899 -148.421 42.3522 71.4858 130.143 68.5028 PRESSAVG: 1036800 -13.3677 65.1927 -20.7973 65.1927 49.3418 20.6019 -20.7973 20.6021 -63.8481 GPRESSAVG: 1036800 -12.4334 63.6042 -21.0279 66.1019 50.1215 20.0116 -21.4835 20.8333 -65.7173 TIMING: 1036800 CPU: 3115.06, 0.00297632/step Wall: 3115.06, 0.00297632/step, 3.27659 hours remaining, 208.429688 MB of memory in use. ENERGY: 1036800 725.2446 2075.2528 1941.4661 120.1346 -205706.7672 17419.9573 0.0000 0.0000 34267.4928 -149157.2190 299.2665 -183424.7118 -149055.9879 299.3946 -79.8179 -50.4430 556832.7010 -9.2913 -9.3430 PRESSURE: 1037000 55.866 137.622 192.512 137.622 13.0637 -48.6412 192.511 -48.643 -66.4236 GPRESSURE: 1037000 69.876 172.161 147.172 158.753 72.9444 -14.0903 159.8 -45.8914 -42.294 PRESSAVG: 1037000 -5.11644 -1.09036 46.6116 -1.09052 45.08 -7.84059 46.6116 -7.84054 -19.3047 GPRESSAVG: 1037000 -4.44956 -0.381046 47.4568 -0.949236 43.955 -8.12611 46.1341 -7.4484 -18.7776 TIMING: 1037000 CPU: 3115.66, 0.00301343/step Wall: 3115.66, 0.00301343/step, 3.31728 hours remaining, 208.429688 MB of memory in use. ENERGY: 1037000 713.4049 2079.0737 1929.6155 102.5577 -206200.8263 17728.9677 0.0000 0.0000 34427.2233 -149219.9835 300.6615 -183647.2068 -149123.8347 299.7068 0.8354 33.5088 556901.9384 6.8863 6.9093 PRESSURE: 1037200 65.0032 -48.7725 0.439641 -48.7736 18.7283 91.8476 0.439085 91.8479 281.261 GPRESSURE: 1037200 38.1687 -76.9658 23.0657 -5.6067 125.726 -0.122946 -46.8077 68.0595 291.955 PRESSAVG: 1037200 -32.5733 2.55331 -3.84201 2.55336 24.326 15.1535 -3.84205 15.1536 -27.8437 GPRESSAVG: 1037200 -33.6531 0.491595 -3.68181 3.75787 25.4808 14.892 -4.78099 15.5635 -28.1609 TIMING: 1037200 CPU: 3116.26, 0.00300519/step Wall: 3116.26, 0.00300518/step, 3.30804 hours remaining, 208.429688 MB of memory in use. ENERGY: 1037200 776.9318 2098.9625 1908.9790 111.6033 -206579.7767 18003.6615 0.0000 0.0000 34223.5916 -149456.0471 298.8831 -183679.6387 -149361.6574 299.3777 121.6641 151.9496 555988.8621 -12.0303 -12.1111 PRESSURE: 1037400 24.9428 40.1857 5.3888 40.1864 78.2629 -50.0748 5.38949 -50.0736 63.6391 GPRESSURE: 1037400 78.3146 95.4192 44.1628 -28.3327 117.37 19.0995 -68.9801 2.99492 61.4698 PRESSAVG: 1037400 -13.3029 8.01934 28.7611 8.01926 -10.2871 -34.3077 28.7611 -34.3077 5.40302 GPRESSAVG: 1037400 -12.6703 9.4591 26.7938 9.5983 -10.6817 -33.9923 30.1067 -33.5067 4.86462 TIMING: 1037400 CPU: 3116.87, 0.00302286/step Wall: 3116.87, 0.00302286/step, 3.32733 hours remaining, 208.429688 MB of memory in use. ENERGY: 1037400 764.0651 2114.8821 1942.3949 111.1238 -206202.2899 17751.1553 0.0000 0.0000 34161.9563 -149356.7123 298.3449 -183518.6686 -149258.8421 299.1851 55.6150 85.7181 556360.0813 -6.0623 -6.1624 PRESSURE: 1037600 -125.291 -94.1457 -74.4669 -94.144 16.0278 -25.6808 -74.4684 -25.6812 -17.8919 GPRESSURE: 1037600 -130.102 -24.4154 -83.316 -87.1015 102.248 33.3804 -65.0467 -74.5632 -2.2928 PRESSAVG: 1037600 -93.4712 -42.6484 12.8448 -42.6485 47.4887 33.491 12.8448 33.491 5.5483 GPRESSAVG: 1037600 -93.7097 -43.5415 12.0247 -43.4729 47.6669 36.6682 15.2297 31.2437 5.86523 TIMING: 1037600 CPU: 3117.47, 0.00302783/step Wall: 3117.47, 0.00302783/step, 3.33263 hours remaining, 208.429688 MB of memory in use. ENERGY: 1037600 738.1825 2090.0836 1926.6639 118.6392 -206149.4951 17697.9838 0.0000 0.0000 34320.8378 -149257.1042 299.7324 -183577.9421 -149161.0069 298.8439 -42.3850 -10.0487 555687.6175 -13.4781 -13.3925 PRESSURE: 1037800 85.4549 60.1477 1.10264 60.1484 37.8091 204.713 1.10139 204.711 -63.9126 GPRESSURE: 1037800 100.298 2.29534 93.8249 -10.7624 98.6603 171.764 -25.835 199.304 -33.2977 PRESSAVG: 1037800 -14.1007 -27.0908 17.1929 -27.0908 40.2052 -70.2028 17.1929 -70.2027 -16.8352 GPRESSAVG: 1037800 -14.6122 -27.058 19.7369 -29.2896 39.9197 -72.5196 14.5968 -69.1676 -16.0973 TIMING: 1037800 CPU: 3118.08, 0.0030463/step Wall: 3118.08, 0.0030463/step, 3.3528 hours remaining, 208.429688 MB of memory in use. ENERGY: 1037800 748.7591 2043.1603 1931.2378 123.8592 -206313.5321 17935.1390 0.0000 0.0000 34438.8834 -149092.4934 300.7633 -183531.3768 -149002.4353 299.1652 19.7838 55.2200 559239.0045 3.0897 3.0701 PRESSURE: 1038000 -128.784 41.85 -57.0899 41.8516 0.812705 100.358 -57.0898 100.36 -34.9914 GPRESSURE: 1038000 -70.9102 125.093 -41.5258 -4.14924 36.7288 53.2502 -24.5068 117.074 -45.707 PRESSAVG: 1038000 57.9213 0.391376 -17.7993 0.391461 79.1238 -23.0741 -17.7993 -23.0741 -123.91 GPRESSAVG: 1038000 57.5132 2.0113 -18.0694 1.13943 78.8502 -22.7964 -16.8689 -23.0753 -123.829 TIMING: 1038000 CPU: 3118.7, 0.00307663/step Wall: 3118.7, 0.00307663/step, 3.386 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: 1038000 720.3571 2064.7468 1897.6906 112.9442 -206246.1996 17865.8947 0.0000 0.0000 34495.6826 -149088.8836 301.2594 -183584.5662 -148982.4205 299.7396 -54.3207 -26.6295 558947.9455 4.3785 4.1780 PRESSURE: 1038200 -129.823 -1.01359 -165.801 -1.01247 -182.291 2.02333 -165.8 2.02278 -159.13 GPRESSURE: 1038200 -95.2507 -60.3259 -99.2819 49.2874 -122.986 -15.8293 -107.693 -106.85 -160.181 PRESSAVG: 1038200 -3.48533 3.04092 13.9259 3.04088 -27.3019 -24.3332 13.926 -24.3331 -11.7303 GPRESSAVG: 1038200 -2.44749 5.71509 12.9654 1.29308 -28.3257 -24.0653 12.9128 -25.1299 -11.8768 TIMING: 1038200 CPU: 3119.31, 0.00305774/step Wall: 3119.31, 0.00305774/step, 3.36505 hours remaining, 208.429688 MB of memory in use. ENERGY: 1038200 742.0606 2125.4643 1924.9993 109.6321 -205795.1535 17583.5942 0.0000 0.0000 34256.6877 -149052.7153 299.1722 -183309.4031 -148952.6817 299.3309 -157.0813 -126.1394 559308.5179 -14.1725 -14.2167 PRESSURE: 1038400 -97.8346 117.637 -26.3199 117.639 -146.976 66.3971 -26.3193 66.3974 14.211 GPRESSURE: 1038400 -70.4414 148.628 -129.005 106.355 -130.988 36.1232 -55.8214 218.983 70.2916 PRESSAVG: 1038400 27.5379 -25.3176 34.6009 -25.3176 -59.1358 53.2342 34.601 53.2343 38.9317 GPRESSAVG: 1038400 26.3188 -26.494 35.2308 -25.7259 -56.8952 51.2301 34.8777 54.6889 38.3187 TIMING: 1038400 CPU: 3119.91, 0.00302164/step Wall: 3119.91, 0.00302164/step, 3.32515 hours remaining, 208.429688 MB of memory in use. ENERGY: 1038400 751.0886 2107.4542 1944.8710 114.9860 -205954.7413 17491.7501 0.0000 0.0000 34444.8836 -149099.7079 300.8157 -183544.5914 -148995.7003 299.6924 -76.8666 -43.7128 555109.7349 2.4446 2.5808 PRESSURE: 1038600 -140.245 -104.934 4.79954 -104.935 -175.302 -51.7698 4.79981 -51.7699 -49.5484 GPRESSURE: 1038600 -74.7279 -160.299 9.49938 -35.8889 -152.962 -85.9039 -4.52849 -126.355 -40.8127 PRESSAVG: 1038600 -52.4394 -41.842 -6.03163 -41.8422 -17.2806 -35.0424 -6.03169 -35.0424 77.2583 GPRESSAVG: 1038600 -52.3865 -44.1438 -8.63166 -39.4704 -18.7127 -33.5569 -3.16574 -35.256 77.969 TIMING: 1038600 CPU: 3120.51, 0.00301272/step Wall: 3120.51, 0.00301272/step, 3.31516 hours remaining, 208.429688 MB of memory in use. ENERGY: 1038600 767.1099 2062.4475 1898.2189 118.5487 -205753.3058 17475.4766 0.0000 0.0000 34144.4883 -149287.0159 298.1923 -183431.5042 -149183.2825 299.5432 -121.6983 -89.5010 557255.5120 2.5127 2.2899 PRESSURE: 1038800 -31.9896 -155.817 -130.301 -155.818 -25.8158 -28.5172 -130.301 -28.5152 -164.52 GPRESSURE: 1038800 -58.3146 -98.2448 -111.665 -161.913 19.788 -31.2835 -67.0211 -67.5519 -74.041 PRESSAVG: 1038800 0.0251912 -30.2689 -16.8897 -30.269 -2.44442 -35.7431 -16.8897 -35.743 30.6824 GPRESSAVG: 1038800 0.714785 -29.3321 -14.3132 -30.6053 -3.47256 -36.3094 -19.4267 -34.3348 30.5249 TIMING: 1038800 CPU: 3121.12, 0.00300643/step Wall: 3121.12, 0.00300643/step, 3.30808 hours remaining, 208.429688 MB of memory in use. ENERGY: 1038800 737.1544 2123.0378 1929.2280 107.6999 -206080.5361 17692.3901 0.0000 0.0000 34248.7718 -149242.2542 299.1030 -183491.0260 -149146.9280 299.3082 -74.1084 -37.5225 557580.6669 9.4211 9.2557 PRESSURE: 1039000 -285.635 -100.076 264.019 -100.076 -132.681 -61.3586 264.022 -61.3597 -234.192 GPRESSURE: 1039000 -283.646 -50.0001 273.343 -109.717 -56.0522 -45.7105 232.02 -21.8364 -217.801 PRESSAVG: 1039000 -31.057 2.07067 82.2213 2.07065 -9.53968 33.5488 82.2213 33.5489 22.1478 GPRESSAVG: 1039000 -31.5822 3.33778 80.6874 1.02253 -8.18158 32.5958 81.5732 33.0055 22.2593 TIMING: 1039000 CPU: 3121.72, 0.00302633/step Wall: 3121.72, 0.00302633/step, 3.32981 hours remaining, 208.429688 MB of memory in use. ENERGY: 1039000 761.1968 2089.1287 1892.8760 114.9991 -205721.2523 17458.6329 0.0000 0.0000 34171.4281 -149232.9908 298.4276 -183404.4189 -149136.7459 299.4347 -217.5022 -185.8328 558850.1197 -6.1496 -5.8348 PRESSURE: 1039200 -325.427 -35.6749 -98.6015 -35.6756 -132.856 -60.5997 -98.6031 -60.6021 -86.8524 GPRESSURE: 1039200 -273.042 -53.7893 -45.8862 -24.2813 -77.2559 -85.3823 -90.4957 -54.8285 -85.3196 PRESSAVG: 1039200 69.9197 21.0032 19.0358 21.0032 -52.9782 -33.1697 19.0357 -33.1696 -9.5964 GPRESSAVG: 1039200 70.278 17.5787 19.7622 22.8839 -52.8439 -31.8518 18.7101 -35.0894 -10.6862 TIMING: 1039200 CPU: 3122.32, 0.00301468/step Wall: 3122.32, 0.00301468/step, 3.31682 hours remaining, 208.429688 MB of memory in use. ENERGY: 1039200 782.1441 2096.9658 1960.9927 113.7456 -205919.2174 17525.3503 0.0000 0.0000 34230.2500 -149209.7688 298.9413 -183440.0189 -149109.6448 299.4659 -181.7116 -145.2058 557661.1832 2.4484 2.2493 PRESSURE: 1039400 -294.265 -183.761 -4.13872 -183.76 -219.022 8.62833 -4.13843 8.62923 -70.8825 GPRESSURE: 1039400 -232.243 -216.616 5.19962 -160.75 -253.636 -65.2489 34.8557 -7.96533 1.49224 PRESSAVG: 1039400 39.0511 -2.95268 0.186566 -2.95277 -40.5369 -57.1603 0.186583 -57.1602 -0.192052 GPRESSAVG: 1039400 38.5362 -2.05769 -2.45991 -2.95515 -41.1304 -56.9449 2.03245 -59.6035 1.4167 TIMING: 1039400 CPU: 3122.93, 0.00301391/step Wall: 3122.93, 0.00301391/step, 3.3158 hours remaining, 208.429688 MB of memory in use. ENERGY: 1039400 774.6446 2015.0485 1909.9676 114.9045 -206253.9872 17686.9218 0.0000 0.0000 34446.8928 -149305.6075 300.8333 -183752.5003 -149207.0336 299.6484 -194.7231 -161.4621 556818.7458 -0.5593 -0.3925 PRESSURE: 1039600 -62.6977 -9.72068 -53.0614 -9.71932 140.787 -88.6231 -53.0615 -88.6241 -228.961 GPRESSURE: 1039600 -23.5906 25.1245 -83.505 -92.9798 162.634 -64.4675 -62.954 -32.2874 -187.762 PRESSAVG: 1039600 63.8195 2.65058 -42.2989 2.65056 -8.9655 -24.5558 -42.2988 -24.5559 -51.9686 GPRESSAVG: 1039600 63.8611 6.05009 -43.5275 1.22032 -9.88756 -26.1737 -42.8138 -22.6368 -51.7728 TIMING: 1039600 CPU: 3123.53, 0.00301638/step Wall: 3123.53, 0.00301638/step, 3.31835 hours remaining, 208.429688 MB of memory in use. ENERGY: 1039600 758.0481 2084.5715 1928.8617 118.2688 -206364.9622 17827.6117 0.0000 0.0000 34230.8323 -149416.7680 298.9464 -183647.6003 -149324.0334 298.5520 -50.2906 -16.2395 557709.1058 0.9618 0.7336 PRESSURE: 1039800 -154.064 -39.8654 -91.7135 -39.8643 -255.55 -61.3211 -91.7132 -61.321 12.8051 GPRESSURE: 1039800 -79.0893 -132.35 -174.48 93.0416 -196.768 -102.261 -89.3484 -36.1835 -12.8223 PRESSAVG: 1039800 16.6695 2.13467 -19.4091 2.13466 -76.5828 -21.8281 -19.4092 -21.8281 9.1738 GPRESSAVG: 1039800 16.7911 2.13209 -14.2124 1.47257 -75.8228 -22.1665 -21.4937 -20.1355 7.97302 TIMING: 1039800 CPU: 3124.13, 0.00301298/step Wall: 3124.13, 0.00301298/step, 3.31445 hours remaining, 208.429688 MB of memory in use. ENERGY: 1039800 761.9010 2069.2679 1937.8289 108.3800 -206219.1282 17698.1355 0.0000 0.0000 34236.7430 -149406.8719 298.9980 -183643.6149 -149306.6570 298.2190 -132.2697 -96.2266 558056.2317 -16.9131 -17.0196 PRESSURE: 1040000 7.24807 -65.331 -120.315 -65.3319 14.3816 -114.764 -120.316 -114.765 36.6643 GPRESSURE: 1040000 43.2083 -22.9081 -67.3225 -28.3531 82.1616 -110.568 -123.039 -139.521 22.8919 PRESSAVG: 1040000 -28.3541 -26.9969 -30.3042 -26.997 19.4305 -67.415 -30.3041 -67.4151 51.4443 GPRESSAVG: 1040000 -27.9644 -29.2567 -31.7078 -26.6229 18.5587 -65.7805 -27.1696 -68.1169 51.2638 TIMING: 1040000 CPU: 3124.74, 0.00301866/step Wall: 3124.74, 0.00301866/step, 3.32053 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: 1040000 780.4251 2092.6448 1900.4601 91.4669 -206713.3582 17983.2624 0.0000 0.0000 34316.1620 -149548.9369 299.6916 -183865.0989 -149448.0095 298.8438 19.4313 49.4206 555677.0594 14.1736 13.9527 PRESSURE: 1040200 194.082 49.7504 -128.39 49.7508 -65.8494 211.352 -128.39 211.353 -39.7717 GPRESSURE: 1040200 201.963 72.0003 -85.9671 69.2702 -12.9919 262.204 -131.711 168.258 -14.5518 PRESSAVG: 1040200 -1.42255 -10.8811 -48.6421 -10.8811 -37.7648 -38.4231 -48.642 -38.4232 76.9893 GPRESSAVG: 1040200 -2.53487 -8.39445 -49.3257 -11.4057 -36.9912 -37.7795 -49.2914 -40.422 76.8219 TIMING: 1040200 CPU: 3125.34, 0.00303064/step Wall: 3125.34, 0.00303064/step, 3.33353 hours remaining, 208.429688 MB of memory in use. ENERGY: 1040200 740.0110 2073.9843 1929.6108 120.4519 -206535.7519 17937.2093 0.0000 0.0000 34343.1784 -149391.3062 299.9275 -183734.4846 -149295.4942 298.4876 29.4869 58.1396 557322.5732 12.6006 12.4320 LDB: ============= START OF LOAD BALANCING ============== 3128.86 LDB: ============== END OF LOAD BALANCING =============== 3128.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3128.86 LDB: ============= START OF LOAD BALANCING ============== 3129.17 LDB: Largest compute 4800 load 0.026638 is 22.6% of average load 0.117850 LDB: Average compute 0.001743 is 1.5% of average load 0.117850 LDB: TIME 3129.17 LOAD: AVG 0.11785 MAX 0.210736 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.699 MB LDB: TIME 3129.17 LOAD: AVG 0.11785 MAX 0.210736 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.902 MB LDB: TIME 3129.17 LOAD: AVG 0.11785 MAX 0.210736 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.902 MB LDB: ============== END OF LOAD BALANCING =============== 3129.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3129.18 PRESSURE: 1040400 -0.944924 -68.2314 -40.2627 -68.2319 -70.8065 -25.3395 -40.2619 -25.338 87.9231 GPRESSURE: 1040400 57.4595 -133.994 -86.3533 -15.2443 -55.1954 -25.1362 -63.9488 -71.1581 103.37 PRESSAVG: 1040400 3.62094 -0.424069 -24.3048 -0.424029 -37.207 -29.1288 -24.3048 -29.1288 63.9661 GPRESSAVG: 1040400 3.76442 -2.45903 -23.0527 0.667435 -37.6194 -28.1989 -25.809 -28.1275 64.4717 TIMING: 1040400 CPU: 3125.96, 0.00308406/step Wall: 3125.96, 0.00308406/step, 3.39212 hours remaining, 208.222656 MB of memory in use. ENERGY: 1040400 741.1039 2071.1977 1912.2274 105.5177 -206317.6128 17866.7396 0.0000 0.0000 34259.2612 -149361.5653 299.1946 -183620.8265 -149268.1106 298.6997 5.3905 35.2113 557677.1161 10.1267 10.2056 PRESSURE: 1040600 -120.682 11.2294 80.929 11.2304 93.9489 113.427 80.9297 113.425 221.677 GPRESSURE: 1040600 -104.63 -19.6778 17.0811 11.14 165.695 165.589 225.94 147.237 232.624 PRESSAVG: 1040600 -78.4319 5.79648 24.9253 5.79636 3.12027 -42.9778 24.9254 -42.978 44.1048 GPRESSAVG: 1040600 -77.7634 5.52309 22.8101 4.75698 3.29221 -43.5422 25.9317 -44.3512 43.1609 TIMING: 1040600 CPU: 3126.57, 0.00303727/step Wall: 3126.57, 0.00303727/step, 3.3405 hours remaining, 208.222656 MB of memory in use. ENERGY: 1040600 777.8676 2093.4374 1953.6374 108.1624 -206603.6069 18160.1689 0.0000 0.0000 34222.0225 -149288.3107 298.8694 -183510.3332 -149189.6000 299.4480 64.9814 97.8965 556820.0615 -10.4023 -10.4368 PRESSURE: 1040800 29.1938 118.412 -71.9828 118.412 -0.0318341 -51.9003 -71.9833 -51.9024 146.38 GPRESSURE: 1040800 50.3616 61.0878 -11.4847 97.9675 30.531 -16.2318 -82.4402 -34.6906 194.57 PRESSAVG: 1040800 -49.1571 -13.4962 14.8701 -13.4962 22.7051 -16.2823 14.87 -16.2824 24.9283 GPRESSAVG: 1040800 -48.9541 -13.9181 15.5512 -11.1685 22.1749 -16.9257 16.1285 -14.5086 25.0561 TIMING: 1040800 CPU: 3127.17, 0.00302035/step Wall: 3127.17, 0.00302035/step, 3.32172 hours remaining, 208.222656 MB of memory in use. ENERGY: 1040800 760.3558 2032.8148 1941.0281 114.8767 -206456.4591 17966.7912 0.0000 0.0000 34341.8114 -149298.7813 299.9156 -183640.5926 -149195.6655 299.2170 58.5142 91.8207 554215.5399 -0.5079 -0.5744 PRESSURE: 1041000 -302.016 128.495 125.515 128.496 -141.684 189.7 125.515 189.701 53.9482 GPRESSURE: 1041000 -237.641 155.021 159.636 154.165 -110.499 202.512 42.5459 96.4985 56.5949 PRESSAVG: 1041000 -99.4883 -43.2157 -15.247 -43.2158 60.5998 85.9304 -15.247 85.9303 55.2456 GPRESSAVG: 1041000 -100.473 -40.427 -14.8002 -44.5867 61.3732 86.0643 -16.7296 84.8505 55.3647 TIMING: 1041000 CPU: 3127.77, 0.00300445/step Wall: 3127.77, 0.00300445/step, 3.30406 hours remaining, 208.222656 MB of memory in use. ENERGY: 1041000 757.8850 2095.9968 1932.4332 113.7633 -206139.0268 17568.5113 0.0000 0.0000 34306.6306 -149363.8066 299.6083 -183670.4372 -149269.9789 299.1134 -129.9173 -97.1819 555315.0535 5.4524 5.4215 PRESSURE: 1041200 63.2296 24.0614 -201.683 24.0613 -84.787 7.9389 -201.684 7.94127 -77.3767 GPRESSURE: 1041200 98.5227 62.6186 -284.411 5.73847 -98.9354 -79.0893 -228.165 2.4226 6.43088 PRESSAVG: 1041200 -19.9252 -3.73235 5.95 -3.73231 32.3379 -3.06225 5.94995 -3.06208 0.372302 GPRESSAVG: 1041200 -19.7397 -5.41984 7.1441 -3.21153 32.4614 -3.17039 5.47622 -4.20419 0.433119 TIMING: 1041200 CPU: 3128.38, 0.00302285/step Wall: 3128.38, 0.00302285/step, 3.32413 hours remaining, 208.222656 MB of memory in use. ENERGY: 1041200 767.2227 2111.6043 1904.7450 125.3051 -206208.5251 17636.5850 0.0000 0.0000 34240.3695 -149422.6935 299.0297 -183663.0630 -149326.1853 298.4330 -32.9780 2.0061 555705.9711 4.2616 4.3849 PRESSURE: 1041400 -335.993 84.8109 -37.1998 84.8097 -85.3837 -133.004 -37.1995 -133.006 -351.249 GPRESSURE: 1041400 -288.485 139.449 -68.009 23.7944 -65.0053 -145.486 -51.0452 -107.955 -323.073 PRESSAVG: 1041400 -41.2605 -24.6602 -8.65171 -24.6602 -6.9982 4.01178 -8.65175 4.01174 63.9608 GPRESSAVG: 1041400 -40.7312 -25.2008 -10.6975 -24.7957 -7.167 5.3545 -6.32234 4.3237 63.7984 TIMING: 1041400 CPU: 3128.98, 0.00302713/step Wall: 3128.98, 0.00302713/step, 3.32866 hours remaining, 208.222656 MB of memory in use. ENERGY: 1041400 791.4358 2079.2012 1948.2044 99.2565 -206239.2890 17514.8214 0.0000 0.0000 34236.3597 -149570.0100 298.9946 -183806.3697 -149479.0263 298.9648 -257.5419 -225.5214 556640.2153 5.2340 5.3001 PRESSURE: 1041600 112.951 -18.5237 164.148 -18.5213 -5.17289 -101.23 164.149 -101.229 -222.61 GPRESSURE: 1041600 143.352 -5.54003 247.506 17.348 30.8762 -81.7368 175.838 -115.114 -199.73 PRESSAVG: 1041600 21.7248 29.5888 20.0174 29.5889 -12.5229 -23.0017 20.0174 -23.0017 17.8417 GPRESSAVG: 1041600 21.1893 30.4321 22.08 28.4372 -12.2892 -23.5956 17.4207 -21.5737 17.7032 TIMING: 1041600 CPU: 3129.58, 0.00301728/step Wall: 3129.58, 0.00301728/step, 3.31767 hours remaining, 208.222656 MB of memory in use. ENERGY: 1041600 749.1992 2069.3693 1904.1037 90.7662 -206224.9226 17765.8518 0.0000 0.0000 33951.2252 -149694.4072 296.5045 -183645.6324 -149607.8209 298.0012 -38.2773 -8.5005 557120.7981 9.0145 8.8678 PRESSURE: 1041800 51.7605 -15.3301 16.487 -15.3298 -71.8895 -1.03974 16.4885 -1.0403 -59.9264 GPRESSURE: 1041800 96.1718 -83.5749 21.9223 -12.2314 -51.5087 -45.2163 22.9633 -20.6024 -28.7859 PRESSAVG: 1041800 60.7635 36.584 -6.48227 36.584 -14.384 35.7686 -6.48231 35.7686 -36.0405 GPRESSAVG: 1041800 60.2689 36.6695 -8.22582 36.3125 -14.2949 34.0954 -4.10461 35.6667 -35.3966 TIMING: 1041800 CPU: 3130.19, 0.00303478/step Wall: 3130.19, 0.00303478/step, 3.33674 hours remaining, 208.222656 MB of memory in use. ENERGY: 1041800 750.3796 2069.9073 1926.9191 104.8471 -206424.0372 17763.3348 0.0000 0.0000 34046.5527 -149762.0966 297.3370 -183808.6493 -149659.6027 297.4920 -26.6851 5.2924 556140.6817 3.4464 3.5258 PRESSURE: 1042000 -202.016 35.6707 -119.334 35.6704 -182.07 -23.4091 -119.333 -23.4095 -227.285 GPRESSURE: 1042000 -225.237 -15.6847 -65.0522 0.231692 -85.9081 14.3177 -139.327 -10.8641 -190.353 PRESSAVG: 1042000 -32.249 12.9856 -3.28426 12.9856 2.73317 0.0337392 -3.28422 0.033629 10.0925 GPRESSAVG: 1042000 -32.3447 12.7693 -3.3031 13.8338 3.34958 2.30606 -1.58717 -0.400645 9.68346 TIMING: 1042000 CPU: 3130.79, 0.00300552/step Wall: 3130.79, 0.00300552/step, 3.3044 hours remaining, 208.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1042000 813.7553 2093.9506 1897.9342 118.0139 -206586.5180 17870.0447 0.0000 0.0000 34209.1462 -149583.6730 298.7570 -183792.8193 -149491.0592 298.0672 -203.7904 -167.1659 557028.2317 -6.4745 -6.4372 PRESSURE: 1042200 3.39322 2.68244 41.693 2.68244 -310.448 102.478 41.6932 102.478 68.884 GPRESSURE: 1042200 45.2322 5.73389 10.4088 69.1181 -187.248 112.755 10.4954 136.301 3.89236 PRESSAVG: 1042200 20.7187 22.6399 16.0475 22.6398 -29.3619 18.1489 16.0475 18.1489 2.99355 GPRESSAVG: 1042200 21.295 23.8245 17.6527 21.2093 -29.992 19.3555 12.943 17.9224 3.09324 TIMING: 1042200 CPU: 3131.39, 0.00298496/step Wall: 3131.39, 0.00298496/step, 3.28163 hours remaining, 208.222656 MB of memory in use. ENERGY: 1042200 741.4784 2011.2659 1921.8967 96.8814 -206630.1036 17822.8970 0.0000 0.0000 34496.0027 -149539.6815 301.2622 -184035.6842 -149445.3277 298.3566 -79.3902 -46.0412 557380.1793 -1.8832 -1.8679 PRESSURE: 1042400 -95.2372 -153.894 122.581 -153.894 72.455 46.1786 122.58 46.1781 -293.104 GPRESSURE: 1042400 -97.2373 -122.911 103.361 -86.095 82.3428 14.2786 156.843 60.7209 -216.411 PRESSAVG: 1042400 78.6482 -20.4871 29.1898 -20.4871 -10.406 8.66644 29.1897 8.66634 -58.9922 GPRESSAVG: 1042400 78.5918 -22.2371 29.7715 -19.7024 -9.2439 7.75945 29.9374 9.10725 -60.0198 TIMING: 1042400 CPU: 3131.98, 0.00295887/step Wall: 3131.98, 0.00295887/step, 3.25278 hours remaining, 208.222656 MB of memory in use. ENERGY: 1042400 798.5245 2102.5799 1924.4696 108.4482 -206473.2859 17691.1722 0.0000 0.0000 34301.8757 -149546.2158 299.5668 -183848.0915 -149439.4426 298.5349 -105.2953 -77.1020 556870.8820 3.0834 3.1093 PRESSURE: 1042600 -89.2118 66.47 40.608 66.471 14.5793 154.621 40.6091 154.619 -149.437 GPRESSURE: 1042600 -56.258 24.5385 3.93938 50.9842 47.3778 186.684 45.7109 92.3958 -120.225 PRESSAVG: 1042600 62.4788 11.1484 2.85467 11.1483 14.5118 -13.9296 2.85465 -13.9297 -54.5354 GPRESSAVG: 1042600 61.2373 11.873 1.33665 9.72484 13.1027 -15.851 3.54436 -14.6785 -52.7417 TIMING: 1042600 CPU: 3132.58, 0.00299923/step Wall: 3132.58, 0.00299923/step, 3.29699 hours remaining, 208.222656 MB of memory in use. ENERGY: 1042600 725.1599 2050.5416 1942.5979 113.6817 -206312.8748 17713.5937 0.0000 0.0000 34115.6112 -149651.6888 297.9401 -183767.3000 -149553.7836 297.9495 -74.6898 -43.0351 556934.8055 7.4850 7.1994 PRESSURE: 1042800 -29.3544 105.301 -12.071 105.301 -303.982 32.5128 -12.0698 32.5113 -264.623 GPRESSURE: 1042800 -63.7606 158.806 -56.0566 105.826 -287.9 34.3247 -43.938 54.2957 -150.177 PRESSAVG: 1042800 -31.8879 -5.27582 -38.5077 -5.27582 -43.9021 15.9249 -38.5078 15.9248 34.6745 GPRESSAVG: 1042800 -32.6648 -6.69141 -38.8304 -3.04573 -43.8281 16.8417 -37.324 15.142 35.6209 TIMING: 1042800 CPU: 3133.18, 0.00300546/step Wall: 3133.18, 0.00300546/step, 3.30367 hours remaining, 208.222656 MB of memory in use. ENERGY: 1042800 787.1286 2096.8024 1922.5832 110.0787 -206480.8606 17721.5636 0.0000 0.0000 34129.3193 -149713.3848 298.0598 -183842.7041 -149612.5386 298.0003 -199.3200 -167.2793 557905.8925 -13.7052 -13.6240 PRESSURE: 1043000 141.096 -85.2996 -82.3975 -85.2993 -181.006 4.90609 -82.3975 4.90613 52.9192 GPRESSURE: 1043000 186.954 -102.449 40.3317 -88.5497 -137.424 -77.7847 -92.1032 -26.4036 49.7221 PRESSAVG: 1043000 52.7669 10.6844 -30.3104 10.6844 -7.0568 -39.6429 -30.3104 -39.6429 11.296 GPRESSAVG: 1043000 54.9492 12.8288 -31.0486 9.7453 -7.08298 -38.0108 -29.7898 -40.3329 9.02042 TIMING: 1043000 CPU: 3133.79, 0.00302655/step Wall: 3133.79, 0.00302655/step, 3.32668 hours remaining, 208.222656 MB of memory in use. ENERGY: 1043000 739.8074 2053.8550 1941.1798 105.1780 -206655.4691 17882.6005 0.0000 0.0000 34190.2169 -149742.6315 298.5917 -183932.8484 -149645.6128 297.8845 4.3362 33.0840 558191.0769 19.0020 18.9622 PRESSURE: 1043200 88.303 37.3129 48.6776 37.3146 185.528 -63.5219 48.677 -63.522 238.258 GPRESSURE: 1043200 127.944 38.3793 68.1007 53.2085 203.447 -41.0675 20.9472 -174.251 268.171 PRESSAVG: 1043200 -30.8028 11.3812 2.08742 11.3812 6.95111 -25.2316 2.08745 -25.2316 58.4658 GPRESSAVG: 1043200 -31.057 12.2742 3.24666 13.0893 6.57205 -26.6527 1.78919 -24.0123 58.2549 TIMING: 1043200 CPU: 3134.39, 0.00303447/step Wall: 3134.39, 0.00303447/step, 3.33522 hours remaining, 208.222656 MB of memory in use. ENERGY: 1043200 737.7751 2133.9440 1921.9686 108.7760 -206874.2317 18114.8423 0.0000 0.0000 34288.2065 -149568.7192 299.4474 -183856.9257 -149462.5340 298.4025 170.6966 199.8541 557228.6365 11.5380 11.2566 PRESSURE: 1043400 -93.0725 -23.6523 -0.505247 -23.6535 -63.2975 -93.4967 -0.505769 -93.4973 -125.435 GPRESSURE: 1043400 -51.6055 -57.9914 -0.371603 -41.7779 -51.3347 -56.706 -69.8443 -118.256 -85.8572 PRESSAVG: 1043400 -62.0217 -24.2874 16.4029 -24.2873 29.3846 1.18596 16.4029 1.18583 32.4659 GPRESSAVG: 1043400 -62.82 -26.7906 15.5066 -24.891 30.0611 0.858479 16.6073 2.87601 32.1397 TIMING: 1043400 CPU: 3135, 0.00302461/step Wall: 3135, 0.00302461/step, 3.32422 hours remaining, 208.222656 MB of memory in use. ENERGY: 1043400 710.3953 2050.1195 1920.0725 127.0301 -206107.0053 17669.6142 0.0000 0.0000 34313.7043 -149316.0695 299.6701 -183629.7737 -149217.6319 298.5536 -93.9349 -62.9324 557766.1713 -0.0571 -0.2064 PRESSURE: 1043600 -117.728 103.228 -62.0406 103.228 -253.047 0.174398 -62.0402 0.174272 10.9345 GPRESSURE: 1043600 -28.2206 30.1868 -6.82171 193.755 -278.336 32.8674 -35.585 2.60403 25.941 PRESSAVG: 1043600 -18.4506 -16.2572 2.52819 -16.2573 29.8069 -11.2073 2.52816 -11.2073 -26.9593 GPRESSAVG: 1043600 -18.8217 -15.7229 5.05862 -17.4349 28.8424 -12.5677 -0.447325 -12.0298 -25.7027 TIMING: 1043600 CPU: 3135.6, 0.00302613/step Wall: 3135.6, 0.00302613/step, 3.32571 hours remaining, 208.222656 MB of memory in use. ENERGY: 1043600 750.2621 2091.2642 1945.4868 116.9815 -206325.6595 17841.6208 0.0000 0.0000 34363.1332 -149216.9110 300.1018 -183580.0442 -149124.5250 299.0447 -119.9470 -93.5385 558941.2610 -5.2010 -5.2273 PRESSURE: 1043800 95.8944 89.9071 -13.5772 89.9073 290.812 -151.547 -13.5756 -151.547 -2.65639 GPRESSURE: 1043800 171.336 96.8151 -67.292 68.0196 292.646 -113.888 43.6719 -167.424 24.5741 PRESSAVG: 1043800 -86.7943 -33.9777 18.7518 -33.9776 34.7203 -31.4543 18.7518 -31.4543 -5.75868 GPRESSAVG: 1043800 -87.6864 -33.1009 18.8213 -33.91 35.4218 -30.7124 21.8098 -32.3299 -5.59101 TIMING: 1043800 CPU: 3136.21, 0.00300101/step Wall: 3136.21, 0.00300101/step, 3.29794 hours remaining, 208.222656 MB of memory in use. ENERGY: 1043800 748.9245 2067.4501 1921.0928 108.2985 -206091.1729 17934.0238 0.0000 0.0000 34151.1044 -149160.2788 298.2501 -183311.3832 -149062.9455 298.8469 128.0165 162.8520 557245.5880 -19.2776 -19.2852 PRESSURE: 1044000 49.9677 -84.9584 -23.7069 -84.9565 -136.972 93.0544 -23.7072 93.053 133.724 GPRESSURE: 1044000 67.9629 -47.0396 -71.4337 -40.3788 -101.358 74.2537 -10.9198 66.0891 188.143 PRESSAVG: 1044000 -46.3389 -55.7843 -11.0505 -55.7842 -9.0263 0.560342 -11.0504 0.560419 66.9541 GPRESSAVG: 1044000 -45.2678 -57.203 -12.2722 -53.6093 -9.73057 0.271468 -12.6902 2.22901 66.0228 TIMING: 1044000 CPU: 3136.8, 0.00299834/step Wall: 3136.8, 0.00299834/step, 3.29484 hours remaining, 208.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1044000 722.8497 2126.0346 1908.7821 106.8513 -206610.8066 18104.1972 0.0000 0.0000 34244.0696 -149398.0222 299.0620 -183642.0918 -149308.3457 298.4244 15.5734 51.5827 558084.2314 3.8630 3.6748 PRESSURE: 1044200 -199.409 -36.469 -37.9114 -36.4694 -386.397 -65.7542 -37.9118 -65.7536 -71.2096 GPRESSURE: 1044200 -182.025 -46.8728 -55.5217 -91.2272 -276.235 -30.5357 -1.49639 -71.9884 -98.6467 PRESSAVG: 1044200 32.2173 -19.2715 37.2317 -19.2716 -67.6173 -33.5328 37.2318 -33.5327 51.8623 GPRESSAVG: 1044200 33.3907 -18.9769 36.973 -20.2563 -67.5986 -31.0183 37.9145 -36.0174 50.8313 TIMING: 1044200 CPU: 3137.41, 0.00301121/step Wall: 3137.41, 0.00301121/step, 3.30882 hours remaining, 208.222656 MB of memory in use. ENERGY: 1044200 753.6480 2115.8500 1935.0001 125.9778 -206548.4333 17763.6661 0.0000 0.0000 34488.5380 -149365.7533 301.1970 -183854.2912 -149262.6678 298.7862 -219.0053 -185.6356 558425.2890 5.4874 5.5411 LDB: ============= START OF LOAD BALANCING ============== 3140.92 LDB: ============== END OF LOAD BALANCING =============== 3140.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3140.93 LDB: ============= START OF LOAD BALANCING ============== 3141.22 LDB: Largest compute 4800 load 0.026674 is 22.6% of average load 0.117879 LDB: Average compute 0.001736 is 1.5% of average load 0.117879 LDB: TIME 3141.23 LOAD: AVG 0.117879 MAX 0.207252 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.66 MB LDB: TIME 3141.23 LOAD: AVG 0.117879 MAX 0.207252 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.66 MB LDB: TIME 3141.23 LOAD: AVG 0.117879 MAX 0.207252 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.66 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3141.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3141.23 PRESSURE: 1044400 118.488 -25.1855 2.66689 -25.1862 290.947 62.5066 2.66794 62.5052 -223.074 GPRESSURE: 1044400 164.979 -14.0677 94.8045 41.9116 307.947 35.5916 -55.3585 28.1398 -188.368 PRESSAVG: 1044400 9.04588 -40.909 4.70905 -40.9089 -14.3181 27.9371 4.70915 27.9371 35.491 GPRESSAVG: 1044400 8.73222 -40.9051 7.10839 -41.5011 -13.391 25.1861 3.38695 29.9706 35.6624 TIMING: 1044400 CPU: 3138.02, 0.0030459/step Wall: 3138.02, 0.0030459/step, 3.34677 hours remaining, 206.937500 MB of memory in use. ENERGY: 1044400 757.0760 2064.7165 1917.5775 103.0157 -206375.0991 17957.6453 0.0000 0.0000 34324.4022 -149250.6660 299.7635 -183575.0682 -149152.4098 298.6759 62.1203 94.8525 558504.5219 10.0729 10.3345 PRESSURE: 1044600 45.2158 -155.78 -62.4264 -155.78 -75.2113 -112.166 -62.427 -112.165 31.0793 GPRESSURE: 1044600 46.1456 -205.377 -55.0253 -152.362 -50.545 -72.7811 -6.66083 -126.402 103.364 PRESSAVG: 1044600 26.1857 -26.8093 34.633 -26.8093 -24.1936 54.0459 34.6329 54.0459 10.3496 GPRESSAVG: 1044600 25.8786 -25.5373 33.1841 -26.2628 -24.8681 55.914 35.9753 52.2948 10.8795 TIMING: 1044600 CPU: 3138.61, 0.00298465/step Wall: 3138.61, 0.00298465/step, 3.2793 hours remaining, 207.140625 MB of memory in use. ENERGY: 1044600 742.3643 2064.0401 1908.1717 114.9812 -206199.0009 17827.2129 0.0000 0.0000 34217.9734 -149324.2574 298.8341 -183542.2308 -149228.7554 299.4660 0.3612 32.9883 557841.1035 4.1139 3.9633 PRESSURE: 1044800 -186.512 -90.9823 -5.3597 -90.9814 103.681 46.4921 -5.35945 46.492 -311.141 GPRESSURE: 1044800 -127.28 -64.8789 -0.222231 -26.6975 121.775 35.6844 52.6264 8.71715 -273.355 PRESSAVG: 1044800 -42.6928 10.9965 -22.5893 10.9965 22.4589 -14.7051 -22.5893 -14.7051 -30.1805 GPRESSAVG: 1044800 -41.9782 10.2189 -22.0577 10.4594 22.5221 -15.0533 -22.3068 -12.0271 -30.327 TIMING: 1044800 CPU: 3139.21, 0.00298895/step Wall: 3139.21, 0.00298895/step, 3.28386 hours remaining, 207.140625 MB of memory in use. ENERGY: 1044800 775.6145 2069.6844 1931.2496 106.4003 -206401.8617 17822.6321 0.0000 0.0000 34292.6582 -149403.6226 299.4863 -183696.2808 -149301.9362 298.8423 -131.3243 -92.9536 556893.4915 -16.8048 -16.5943 PRESSURE: 1045000 -90.4041 143.287 26.3805 143.288 42.8049 139.799 26.3794 139.801 -4.79787 GPRESSURE: 1045000 -76.5832 149.354 132.375 125.531 57.4159 22.2865 16.5616 170.482 58.017 PRESSAVG: 1045000 -5.0012 -18.5098 -24.9617 -18.5098 6.74016 -56.5562 -24.9617 -56.5563 -15.8282 GPRESSAVG: 1045000 -6.18139 -18.6375 -23.9279 -17.6647 7.06992 -56.4172 -25.2649 -58.1876 -15.6673 TIMING: 1045000 CPU: 3139.81, 0.00301713/step Wall: 3139.81, 0.00301713/step, 3.31465 hours remaining, 207.140625 MB of memory in use. ENERGY: 1045000 750.8147 2009.8714 1922.1293 111.1707 -206407.1342 17991.9788 0.0000 0.0000 34230.8335 -149390.3358 298.9464 -183621.1693 -149302.0358 299.2263 -17.4657 12.9499 558060.4570 -4.6964 -4.9263 PRESSURE: 1045200 -3.59126 104.694 -13.3128 104.694 -161.132 1.83665 -13.3135 1.83741 -360.474 GPRESSURE: 1045200 81.6822 134.107 59.3202 71.3131 -181.531 118.106 -38.4947 -20.1036 -326.321 PRESSAVG: 1045200 16.4583 9.05976 17.5372 9.05977 -34.1976 19.3879 17.5371 19.3877 46.4516 GPRESSAVG: 1045200 17.0679 8.89848 15.9388 7.11512 -33.8803 18.0246 16.9392 21.5219 45.6635 TIMING: 1045200 CPU: 3140.42, 0.00301052/step Wall: 3140.42, 0.00301052/step, 3.30723 hours remaining, 207.140625 MB of memory in use. ENERGY: 1045200 781.8621 2062.5887 1902.7983 96.3681 -206320.5053 17610.4568 0.0000 0.0000 34506.4918 -149359.9396 301.3538 -183866.4314 -149265.3881 299.4991 -175.0657 -142.0566 556742.0509 9.5708 9.6170 PRESSURE: 1045400 -97.9747 48.0593 164.217 48.0587 55.9397 56.721 164.218 56.7226 -275.574 GPRESSURE: 1045400 -105.728 70.1959 122.564 43.6786 86.5919 81.9247 170.568 -9.69756 -199.9 PRESSAVG: 1045400 83.425 -9.69347 19.7894 -9.69344 -18.333 35.8902 19.7893 35.8903 -70.4827 GPRESSAVG: 1045400 83.6171 -9.72864 21.9859 -8.9243 -17.9763 36.9805 19.2981 33.9151 -70.4749 TIMING: 1045400 CPU: 3141.02, 0.00303175/step Wall: 3141.02, 0.00303175/step, 3.33037 hours remaining, 207.140625 MB of memory in use. ENERGY: 1045400 769.4571 2106.1166 1941.4867 102.7341 -205982.7470 17532.4418 0.0000 0.0000 34312.5784 -149217.9324 299.6603 -183530.5108 -149126.4901 299.2216 -105.8697 -73.0121 556082.7424 -1.7969 -1.6114 PRESSURE: 1045600 -242.623 187.58 -19.5275 187.579 0.0299653 -11.3073 -19.5277 -11.3071 47.6671 GPRESSURE: 1045600 -226.611 216.352 41.3043 139.922 63.9215 -19.6412 -72.8234 -71.9055 64.1341 PRESSAVG: 1045600 9.22555 -0.832179 -4.6502 -0.832122 47.3465 -4.4087 -4.65022 -4.4087 -29.4161 GPRESSAVG: 1045600 9.17406 2.1866 -5.31637 -2.89442 46.8605 -4.85307 -5.04691 -3.54277 -28.5568 TIMING: 1045600 CPU: 3141.62, 0.00299715/step Wall: 3141.62, 0.00299715/step, 3.29221 hours remaining, 207.398438 MB of memory in use. ENERGY: 1045600 744.2247 2025.2938 1934.1804 113.0921 -205990.9748 17683.1532 0.0000 0.0000 34210.1525 -149280.8781 298.7658 -183491.0306 -149188.9292 299.5819 -64.9753 -32.8518 556766.1460 9.0520 9.1593 PRESSURE: 1045800 40.3026 209.927 -231.756 209.928 -85.0802 -95.7998 -231.757 -95.7994 -263.167 GPRESSURE: 1045800 47.1118 160.52 -193.713 127.246 -34.1711 -60.3393 -252.754 -86.6565 -231.068 PRESSAVG: 1045800 17.4048 24.639 -48.2955 24.6389 10.2575 14.1158 -48.2955 14.1159 -47.1493 GPRESSAVG: 1045800 17.8487 22.71 -50.0486 26.5469 9.99152 13.7508 -46.4256 15.5921 -46.9123 TIMING: 1045800 CPU: 3142.22, 0.00298785/step Wall: 3142.22, 0.00298785/step, 3.28182 hours remaining, 207.398438 MB of memory in use. ENERGY: 1045800 730.0466 2048.2727 1914.8461 114.4850 -206081.3153 17751.8912 0.0000 0.0000 34243.4665 -149278.3074 299.0567 -183521.7739 -149180.9112 299.0443 -102.6481 -72.7091 557056.7844 -6.4957 -6.3574 PRESSURE: 1046000 94.8213 60.3247 96.4505 60.3262 79.9813 -171.229 96.4509 -171.228 -159.019 GPRESSURE: 1046000 106.25 -17.4887 60.2332 75.7441 75.2517 -179.496 166.726 -258.247 -81.6365 PRESSAVG: 1046000 24.8108 42.349 16.0187 42.3491 44.1209 -40.2991 16.0185 -40.2991 -58.2357 GPRESSAVG: 1046000 25.3845 40.5877 14.7918 42.034 45.0326 -41.3818 17.3 -42.226 -59.9617 TIMING: 1046000 CPU: 3142.82, 0.00300238/step Wall: 3142.82, 0.00300238/step, 3.29762 hours remaining, 207.398438 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: 1046000 790.6055 2039.0989 1934.2672 127.5377 -206364.0286 18032.8709 0.0000 0.0000 34473.4794 -148966.1690 301.0655 -183439.6484 -148870.7280 299.9303 5.2613 33.2886 557632.1869 3.5653 3.4851 PRESSURE: 1046200 -202.468 229.937 -105.949 229.938 -253.834 -51.2188 -105.951 -51.2174 -130.99 GPRESSURE: 1046200 -151.516 142.5 -47.2684 280.593 -253.365 -123.189 -36.6718 -51.1146 -98.8371 PRESSAVG: 1046200 11.4027 28.3769 23.4894 28.377 -4.96399 -11.2311 23.4895 -11.2311 -17.6366 GPRESSAVG: 1046200 9.62832 29.4936 22.9812 29.3934 -4.13762 -9.1858 21.891 -10.785 -16.8288 TIMING: 1046200 CPU: 3143.42, 0.00301951/step Wall: 3143.42, 0.00301951/step, 3.31626 hours remaining, 207.398438 MB of memory in use. ENERGY: 1046200 760.8155 2056.8787 1925.2812 110.2971 -205748.6186 17513.3182 0.0000 0.0000 34439.4780 -148942.5499 300.7685 -183382.0279 -148853.8252 300.6394 -195.7640 -167.9059 557545.1915 -3.7326 -3.7794 PRESSURE: 1046400 -178.424 124.439 98.1023 124.439 100.81 -132.312 98.1026 -132.312 -12.1821 GPRESSURE: 1046400 -156.091 89.0606 71.1939 69.9192 126.861 -164.811 119.351 -132.127 40.0139 PRESSAVG: 1046400 -2.91818 3.57476 76.6394 3.57468 40.3931 -11.9756 76.6395 -11.9755 -8.03107 GPRESSAVG: 1046400 -2.46802 2.78186 77.9945 1.43368 39.7994 -11.3778 75.9653 -13.3468 -7.61122 TIMING: 1046400 CPU: 3144.03, 0.00303619/step Wall: 3144.03, 0.00303619/step, 3.33441 hours remaining, 207.398438 MB of memory in use. ENERGY: 1046400 745.6410 2069.8016 1930.5994 113.2263 -206061.1920 17795.6883 0.0000 0.0000 34488.2682 -148917.9673 301.1946 -183406.2354 -148822.2310 300.6832 -29.9321 3.5947 557596.6925 9.8146 9.9067 PRESSURE: 1046600 390.7 -3.13492 -160.358 -3.135 175.489 43.8017 -160.359 43.8021 181.529 GPRESSURE: 1046600 365.642 5.80429 -101.766 -47.6767 209.833 137.255 -136.18 40.2647 277.899 PRESSAVG: 1046600 51.5936 -4.0133 -22.3187 -4.01326 71.9309 -34.8251 -22.3188 -34.8251 -83.243 GPRESSAVG: 1046600 51.8508 -1.7539 -22.2354 -3.51295 70.7188 -34.659 -22.3619 -34.7821 -81.923 TIMING: 1046600 CPU: 3144.64, 0.00302397/step Wall: 3144.64, 0.00302397/step, 3.32082 hours remaining, 207.398438 MB of memory in use. ENERGY: 1046600 724.3538 2070.7615 1937.9172 116.8690 -206378.8924 18139.3753 0.0000 0.0000 34326.2611 -149063.3545 299.7798 -183389.6156 -148963.4056 299.7009 249.2392 284.4582 556785.6735 13.4271 13.5489 PRESSURE: 1046800 48.2993 -47.6939 60.1096 -47.6945 46.9082 99.4893 60.1097 99.4892 -158.605 GPRESSURE: 1046800 125.814 -28.8008 49.8893 -21.0532 68.3759 130.881 65.9111 77.9252 -158.372 PRESSAVG: 1046800 16.8065 15.8649 -9.8566 15.865 66.822 9.40157 -9.85663 9.40159 -95.4105 GPRESSAVG: 1046800 18.27 14.813 -9.40199 16.3379 67.3866 8.26227 -11.1153 10.8598 -97.3456 TIMING: 1046800 CPU: 3145.24, 0.00302095/step Wall: 3145.24, 0.00302095/step, 3.31734 hours remaining, 207.398438 MB of memory in use. ENERGY: 1046800 734.7912 2055.6584 1931.7658 104.0714 -206071.7631 17754.1245 0.0000 0.0000 34471.1242 -149020.2276 301.0449 -183491.3518 -148915.7266 300.3147 -21.1325 11.9392 556662.2676 -3.9273 -3.8964 PRESSURE: 1047000 -165.361 -39.1204 35.5651 -39.1205 -151.424 -133.522 35.5643 -133.52 -62.7901 GPRESSURE: 1047000 -153.785 38.5797 25.5963 -96.6859 -156.926 -107.986 -13.1704 -125.06 30.5411 PRESSAVG: 1047000 31.1813 32.0236 -0.801859 32.0235 14.0233 12.5632 -0.801947 12.5632 -34.5169 GPRESSAVG: 1047000 29.8559 30.9948 -1.14563 32.2155 14.5648 11.9899 -0.820682 12.4833 -34.2207 TIMING: 1047000 CPU: 3145.85, 0.00302392/step Wall: 3145.85, 0.00302392/step, 3.32043 hours remaining, 207.398438 MB of memory in use. ENERGY: 1047000 751.3751 2052.0244 1933.4076 118.6149 -205617.0110 17628.9021 0.0000 0.0000 34088.5584 -149044.1285 297.7039 -183132.6870 -148949.4573 299.6239 -126.5252 -93.3902 558907.3757 3.5626 3.4000 PRESSURE: 1047200 -47.0845 -2.97984 56.5541 -2.97883 38.7542 -5.22384 56.554 -5.22505 -31.4922 GPRESSURE: 1047200 3.21429 -11.8521 85.0067 54.7593 95.6841 -47.2961 -73.2716 -16.4226 -44.1368 PRESSAVG: 1047200 46.4892 -22.1478 -10.1926 -22.1478 -42.4632 -33.4167 -10.1926 -33.4167 -39.1134 GPRESSAVG: 1047200 47.0064 -22.6439 -8.57897 -21.4364 -42.5393 -33.469 -9.85987 -32.9882 -39.3552 TIMING: 1047200 CPU: 3146.45, 0.00303715/step Wall: 3146.45, 0.00303715/step, 3.33479 hours remaining, 207.398438 MB of memory in use. ENERGY: 1047200 773.8642 2028.1669 1916.9219 108.9011 -205800.7374 17665.8619 0.0000 0.0000 34205.8259 -149101.1955 298.7280 -183307.0215 -149009.4595 298.8099 -13.2742 18.2539 557884.1274 -11.6958 -11.6294 PRESSURE: 1047400 3.90481 -2.39392 192.171 -2.39444 -37.921 -67.5889 192.171 -67.5891 -77.5186 GPRESSURE: 1047400 13.1592 34.9906 233.171 -11.2852 33.3058 -114.303 101.598 -78.7163 -66.8579 PRESSAVG: 1047400 -6.48555 3.41996 -48.1905 3.41989 -50.8981 42.4336 -48.1905 42.4336 87.1335 GPRESSAVG: 1047400 -6.01826 6.23011 -50.9495 0.56778 -51.1246 42.1458 -48.2584 41.3265 87.0294 TIMING: 1047400 CPU: 3147.06, 0.00302708/step Wall: 3147.06, 0.00302708/step, 3.32356 hours remaining, 207.398438 MB of memory in use. ENERGY: 1047400 705.5528 2055.3093 1933.0809 113.6123 -205660.3488 17533.5957 0.0000 0.0000 34339.7747 -148979.4231 299.8978 -183319.1979 -148886.0886 299.6299 -37.1782 -6.7976 557711.7320 9.9166 9.9622 PRESSURE: 1047600 194.043 84.3642 -265.479 84.3644 -117.715 67.3536 -265.481 67.3546 -156.577 GPRESSURE: 1047600 242.705 111.978 -251.779 143.733 -103.414 55.9208 -207.575 81.6778 -120.943 PRESSAVG: 1047600 56.7219 -6.30141 6.13255 -6.30143 26.5046 -7.38203 6.13256 -7.38203 -11.9817 GPRESSAVG: 1047600 57.272 -8.51767 6.4754 -6.39792 26.1781 -8.11635 7.5581 -6.63954 -12.2971 TIMING: 1047600 CPU: 3147.66, 0.00301048/step Wall: 3147.66, 0.00301048/step, 3.30517 hours remaining, 207.398438 MB of memory in use. ENERGY: 1047600 754.9133 2087.9358 1927.2995 130.4589 -205781.7148 17696.2404 0.0000 0.0000 34166.8687 -149017.9982 298.3878 -183184.8668 -148926.6912 300.0327 -26.7497 6.1162 556819.5607 23.7482 23.7177 PRESSURE: 1047800 38.2745 114.459 158.302 114.458 145.793 -29.9181 158.302 -29.9182 160.433 GPRESSURE: 1047800 38.0837 100.438 174.397 13.5472 206.518 4.14644 106.959 -55.2415 197.553 PRESSAVG: 1047800 16.2759 -12.5702 10.888 -12.5701 30.8715 -61.3811 10.888 -61.3809 -28.2384 GPRESSAVG: 1047800 16.1961 -11.4599 14.0796 -10.137 31.5182 -59.4365 8.14992 -61.572 -28.605 TIMING: 1047800 CPU: 3148.27, 0.00302977/step Wall: 3148.27, 0.00302977/step, 3.32619 hours remaining, 207.398438 MB of memory in use. ENERGY: 1047800 749.0151 2050.6189 1927.2547 109.0831 -206381.7173 17987.8962 0.0000 0.0000 34355.7559 -149202.0933 300.0374 -183557.8492 -149105.6991 299.3562 114.8335 147.3846 556785.4011 6.3030 6.3698 PRESSURE: 1048000 72.2334 -100.244 -109.12 -100.245 -121.295 -114.989 -109.119 -114.99 -159.31 GPRESSURE: 1048000 91.4321 -140.295 -182.043 -150.416 -107.689 -96.7429 -160.65 -158.924 -102.295 PRESSAVG: 1048000 -0.922132 10.7758 5.03875 10.7759 -3.99334 -14.0103 5.03879 -14.0103 -19.5109 GPRESSAVG: 1048000 -2.19235 9.847 1.21442 9.53844 -3.60451 -14.9181 4.7541 -12.8927 -19.2133 TIMING: 1048000 CPU: 3148.88, 0.00305217/step Wall: 3148.88, 0.00305217/step, 3.3506 hours remaining, 207.398438 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: 1048000 755.4383 2067.8187 1932.5876 123.0336 -206249.1701 17764.5989 0.0000 0.0000 34441.2390 -149164.4540 300.7839 -183605.6931 -149068.8524 298.7950 -69.4573 -39.5174 558272.1955 -8.1421 -8.3367 PRESSURE: 1048200 -59.9384 -35.0953 -75.1275 -35.0949 167.069 149.155 -75.1264 149.154 15.7645 GPRESSURE: 1048200 -34.528 25.0131 -46.8997 42.8545 269.308 165.57 -131.658 119.897 1.73498 PRESSAVG: 1048200 -18.5561 -47.9747 -54.409 -47.9748 15.8183 -22.1761 -54.409 -22.176 -6.64037 GPRESSAVG: 1048200 -16.7941 -48.3891 -53.2643 -46.7338 16.6787 -22.4518 -51.4622 -22.8576 -7.96 TIMING: 1048200 CPU: 3149.49, 0.00306148/step Wall: 3149.49, 0.00306148/step, 3.36065 hours remaining, 207.398438 MB of memory in use. ENERGY: 1048200 733.7409 2117.0967 1939.6104 120.1628 -206305.2746 17871.8653 0.0000 0.0000 34365.8875 -149156.9109 300.1258 -183522.7984 -149068.7447 299.4613 40.9651 78.8383 557760.2631 -3.1260 -2.6918 LDB: ============= START OF LOAD BALANCING ============== 3153.01 LDB: ============== END OF LOAD BALANCING =============== 3153.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3153.01 LDB: ============= START OF LOAD BALANCING ============== 3153.31 LDB: Largest compute 4800 load 0.028906 is 24.5% of average load 0.117887 LDB: Average compute 0.001741 is 1.5% of average load 0.117887 LDB: TIME 3153.31 LOAD: AVG 0.117887 MAX 0.206891 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.293 MB LDB: TIME 3153.31 LOAD: AVG 0.117887 MAX 0.206891 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.297 MB LDB: TIME 3153.31 LOAD: AVG 0.117887 MAX 0.206891 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.297 MB LDB: ============== END OF LOAD BALANCING =============== 3153.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3153.32 PRESSURE: 1048400 15.9095 96.6762 39.6241 96.677 60.4545 -29.8199 39.6238 -29.8197 -96.2162 GPRESSURE: 1048400 -28.7715 -5.93845 10.8175 124.569 122.69 -56.683 -26.4443 11.8265 -5.97132 PRESSAVG: 1048400 22.7254 -3.99535 -2.09676 -3.99544 -28.0085 18.1929 -2.09679 18.1929 39.1684 GPRESSAVG: 1048400 21.9126 -2.69706 -1.2443 -7.31489 -29.0145 20.7021 -4.71526 17.1124 40.7829 TIMING: 1048400 CPU: 3150.1, 0.00304894/step Wall: 3150.1, 0.00304894/step, 3.34672 hours remaining, 208.933594 MB of memory in use. ENERGY: 1048400 736.5294 2127.2144 1948.4511 104.4833 -206272.6045 17872.2005 0.0000 0.0000 34323.6483 -149160.0775 299.7570 -183483.7258 -149068.7414 299.5006 -6.6174 29.3158 558769.1404 11.2951 11.2270 PRESSURE: 1048600 -171.865 95.4416 -25.7438 95.4414 270.528 67.824 -25.7434 67.8235 -12.6099 GPRESSURE: 1048600 -131.945 97.8804 -27.4714 16.3197 308.892 91.7177 -21.3921 66.2675 9.7571 PRESSAVG: 1048600 17.8516 42.1594 18.5511 42.1594 -6.32331 29.1832 18.5511 29.1832 26.4872 GPRESSAVG: 1048600 18.7017 40.4723 17.1431 44.755 -6.03945 29.7425 21.9281 31.674 25.9549 TIMING: 1048600 CPU: 3150.7, 0.00302227/step Wall: 3150.7, 0.00302226/step, 3.31727 hours remaining, 208.941406 MB of memory in use. ENERGY: 1048600 708.7022 2049.9515 1919.3766 109.2096 -206162.8672 17934.8634 0.0000 0.0000 34328.6812 -149112.0827 299.8009 -183440.7639 -149012.9909 299.3798 28.6844 62.2347 557835.9985 12.6718 12.8724 PRESSURE: 1048800 -114.193 -27.1109 -18.8259 -27.1124 -191.636 97.8113 -18.826 97.8136 -21.0382 GPRESSURE: 1048800 -79.634 -50.0352 6.86032 -105.288 -214.959 11.438 -82.6141 88.5055 62.667 PRESSAVG: 1048800 1.02233 1.97453 46.7093 1.97449 -63.3516 5.5429 46.7093 5.54293 17.3459 GPRESSAVG: 1048800 2.20646 -0.221128 47.0155 2.8127 -64.4133 5.04188 45.1755 5.24999 17.151 TIMING: 1048800 CPU: 3151.3, 0.0030045/step Wall: 3151.3, 0.0030045/step, 3.29761 hours remaining, 208.941406 MB of memory in use. ENERGY: 1048800 765.8909 2049.1601 1930.4041 110.2711 -205788.2891 17514.2568 0.0000 0.0000 34355.3651 -149062.9410 300.0339 -183418.3061 -148963.7848 299.5033 -108.9558 -77.3086 558391.3967 -14.9945 -15.0186 PRESSURE: 1049000 146.186 89.0153 234.956 89.0148 150.968 293.214 234.956 293.212 297.175 GPRESSURE: 1049000 111.266 44.887 256.534 113.202 191.812 256.452 170.14 192.436 395.228 PRESSAVG: 1049000 24.4314 -8.11288 -4.52419 -8.11283 -33.1897 3.65291 -4.52424 3.65292 21.8462 GPRESSAVG: 1049000 23.3318 -5.73883 -3.05122 -10.3178 -32.6331 1.64921 -5.26144 1.11825 22.3586 TIMING: 1049000 CPU: 3151.9, 0.00300445/step Wall: 3151.9, 0.00300445/step, 3.29739 hours remaining, 208.941406 MB of memory in use. ENERGY: 1049000 766.2078 2122.3686 1915.5816 108.7790 -206307.1353 18121.3990 0.0000 0.0000 34140.5497 -149132.2496 298.1579 -183272.7993 -149039.6291 299.6801 198.1096 232.7687 556302.3704 4.3626 4.3524 PRESSURE: 1049200 -38.4576 -171.657 -33.887 -171.657 -6.59328 -126.778 -33.8885 -126.777 -72.7729 GPRESSURE: 1049200 -15.2167 -136.835 -115.645 -195.026 38.5935 -195.424 14.3146 -80.5723 -39.5935 PRESSAVG: 1049200 9.39647 -0.549388 12.4259 -0.549423 16.0692 12.7328 12.426 12.7328 0.275822 GPRESSAVG: 1049200 10.3198 1.03531 11.3162 0.0733496 16.1081 12.281 12.8613 16.6298 -0.564245 TIMING: 1049200 CPU: 3152.51, 0.00302517/step Wall: 3152.51, 0.00302517/step, 3.31995 hours remaining, 208.941406 MB of memory in use. ENERGY: 1049200 731.0260 2121.7690 1948.6425 113.8479 -206221.0587 17774.5563 0.0000 0.0000 34360.1409 -149171.0760 300.0757 -183531.2168 -149074.7904 299.1112 -39.2746 -5.4056 558343.1169 8.5805 8.6212 PRESSURE: 1049400 249.113 216.794 173.798 216.795 -339.095 68.4752 173.798 68.477 46.0108 GPRESSURE: 1049400 280.363 232.862 168.733 179.065 -273.019 48.6204 215.613 175.629 53.9196 PRESSAVG: 1049400 96.8144 -26.088 55.9663 -26.0882 -52.8388 66.6286 55.9663 66.6284 16.6206 GPRESSAVG: 1049400 97.6936 -27.5212 58.5044 -25.5406 -52.5598 66.1675 54.7458 63.7739 16.0887 TIMING: 1049400 CPU: 3153.12, 0.00305834/step Wall: 3153.12, 0.00305834/step, 3.35619 hours remaining, 208.941406 MB of memory in use. ENERGY: 1049400 760.6590 2106.7009 1948.8945 100.5185 -206149.4876 17936.0617 0.0000 0.0000 34161.0873 -149135.5655 298.3373 -183296.6528 -149038.7747 299.6748 -14.6568 20.4214 557816.4724 20.1987 20.4075 PRESSURE: 1049600 90.9273 -13.3768 171.558 -13.377 216.107 105.595 171.559 105.596 -280.256 GPRESSURE: 1049600 109.974 -17.7145 117.191 23.5125 293.329 49.144 175.398 165.475 -272.431 PRESSAVG: 1049600 8.97589 46.6107 28.5993 46.6108 2.11636 -18.6894 28.5993 -18.6894 -37.9406 GPRESSAVG: 1049600 8.41199 48.1162 26.9184 44.9306 1.41301 -16.9894 28.5807 -15.4018 -36.4884 TIMING: 1049600 CPU: 3153.73, 0.00306655/step Wall: 3153.73, 0.00306655/step, 3.36503 hours remaining, 208.941406 MB of memory in use. ENERGY: 1049600 763.7832 2084.0999 1940.3189 114.2326 -206226.3515 17891.6498 0.0000 0.0000 34363.0571 -149069.2099 300.1011 -183432.2671 -148969.7868 299.7686 8.9261 43.6243 556922.0111 -8.9495 -8.8878 PRESSURE: 1049800 -74.6321 269.728 67.602 269.728 -108.281 210.593 67.6017 210.594 -137.477 GPRESSURE: 1049800 -31.0334 261.218 96.5078 119.416 -48.759 140.536 -24.6415 183.92 -133.918 PRESSAVG: 1049800 1.22842 -9.40541 44.2816 -9.40546 34.3534 -17.9432 44.2816 -17.9432 -31.7538 GPRESSAVG: 1049800 0.170356 -10.4464 43.5597 -8.75915 34.6709 -17.2556 45.3878 -21.5008 -31.7208 TIMING: 1049800 CPU: 3154.34, 0.00303967/step Wall: 3154.34, 0.00303967/step, 3.33536 hours remaining, 208.941406 MB of memory in use. ENERGY: 1049800 742.2788 2132.0257 1923.3009 109.7790 -206274.0457 17709.5675 0.0000 0.0000 34388.8381 -149268.2557 300.3263 -183657.0939 -149169.1050 299.3090 -106.7967 -71.2368 557324.3635 1.2760 1.0401 PRESSURE: 1050000 -52.4935 -17.2904 -20.0301 -17.2885 -334.57 60.8242 -20.031 60.8239 259.918 GPRESSURE: 1050000 -13.1802 -38.7873 -27.8047 -75.4628 -217.838 111.727 -12.0184 45.556 207.452 PRESSAVG: 1050000 25.33 0.840426 -32.0761 0.840413 -42.5168 26.2981 -32.0761 26.2981 23.2659 GPRESSAVG: 1050000 25.0475 2.30617 -32.0671 -0.274889 -42.3581 25.4108 -33.0599 28.3998 23.0088 TIMING: 1050000 CPU: 3154.95, 0.00305097/step Wall: 3154.95, 0.00305097/step, 3.3476 hours remaining, 208.941406 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: 1050000 743.6588 2105.9171 1922.7201 113.5490 -206092.2904 17677.7011 0.0000 0.0000 34266.0549 -149262.6895 299.2540 -183528.7444 -149172.4270 299.6481 -42.3818 -7.8553 557234.4102 2.0264 1.8994 PRESSURE: 1050200 -117.635 88.6246 33.9281 88.6245 -169.853 -93.6548 33.9272 -93.6546 -66.1375 GPRESSURE: 1050200 -107.242 23.0955 83.691 99.8446 -136.977 -59.6088 -37.4139 -58.4258 -18.513 PRESSAVG: 1050200 6.92002 45.1901 31.0414 45.19 35.0318 -1.37431 31.0414 -1.37431 0.439515 GPRESSAVG: 1050200 7.37956 43.9399 30.6355 47.4774 35.5695 -0.378973 32.2651 -1.91417 -0.186669 TIMING: 1050200 CPU: 3155.56, 0.0030452/step Wall: 3155.56, 0.0030452/step, 3.3411 hours remaining, 208.941406 MB of memory in use. ENERGY: 1050200 735.2607 2056.0654 1923.0846 109.5995 -206006.3006 17569.5950 0.0000 0.0000 34352.5199 -149260.1755 300.0091 -183612.6955 -149160.0724 299.1922 -117.8753 -87.5775 557827.3973 14.1304 14.2541 PRESSURE: 1050400 46.7886 30.2473 203.499 30.2475 -313.214 -128.669 203.498 -128.669 -80.1184 GPRESSURE: 1050400 77.1013 106.532 236.795 72.2027 -301.544 -6.86715 171.091 -138.321 -14.8451 PRESSAVG: 1050400 43.6739 -26.5377 -22.7298 -26.5377 20.0322 31.4418 -22.7298 31.4419 6.89741 GPRESSAVG: 1050400 44.8062 -27.5433 -21.6928 -27.0917 18.7075 31.7002 -23.8418 31.9452 7.22625 TIMING: 1050400 CPU: 3156.17, 0.00302652/step Wall: 3156.17, 0.00302652/step, 3.32043 hours remaining, 208.941406 MB of memory in use. ENERGY: 1050400 770.0536 2067.9078 1929.3223 103.4665 -206084.2487 17677.1188 0.0000 0.0000 34392.9357 -149143.4441 300.3621 -183536.3798 -149038.0822 299.7366 -115.5147 -79.7626 557745.1122 23.5345 23.5800 PRESSURE: 1050600 -158.278 -155.67 189.372 -155.671 59.5955 8.99356 189.372 8.99441 -311.563 GPRESSURE: 1050600 -166.441 -132.867 187.724 -75.3906 115.736 -15.5754 178.52 80.4486 -259.298 PRESSAVG: 1050600 -27.3505 15.6132 12.7689 15.6131 -2.53149 -55.3614 12.769 -55.3616 5.94747 GPRESSAVG: 1050600 -28.6511 18.7635 13.0793 15.4547 -0.630884 -56.2596 13.539 -56.3283 5.0675 TIMING: 1050600 CPU: 3156.78, 0.00304089/step Wall: 3156.78, 0.00304089/step, 3.33603 hours remaining, 208.941406 MB of memory in use. ENERGY: 1050600 765.0433 2125.8072 1940.1214 121.1917 -206121.5055 17650.2791 0.0000 0.0000 34363.6175 -149155.4453 300.1060 -183519.0627 -149059.8359 299.3389 -136.7485 -103.3343 557117.9329 -7.9782 -8.0715 PRESSURE: 1050800 14.4334 -99.8254 -47.2344 -99.8244 -135.202 39.8688 -47.233 39.8689 16.9402 GPRESSURE: 1050800 48.241 -130.041 -40.9329 -71.6755 -75.9402 101.013 -43.9333 22.3564 37.3342 PRESSAVG: 1050800 -31.192 -12.8017 1.16389 -12.8016 54.1412 17.1202 1.16388 17.1202 -27.0208 GPRESSAVG: 1050800 -31.5934 -14.2007 -0.711008 -11.9304 52.8263 18.0668 1.37583 18.1686 -25.8529 TIMING: 1050800 CPU: 3157.38, 0.00301994/step Wall: 3157.38, 0.00301994/step, 3.31288 hours remaining, 208.941406 MB of memory in use. ENERGY: 1050800 744.2695 2145.4555 1939.9744 127.0424 -206038.0923 17586.9141 0.0000 0.0000 34241.9144 -149252.5221 299.0432 -183494.4364 -149157.0209 299.6125 -34.6095 3.2117 557155.2605 -1.3572 -1.5400 PRESSURE: 1051000 468.18 54.6504 64.7624 54.6491 -305.576 32.1551 64.7635 32.1551 -102.136 GPRESSURE: 1051000 434.097 52.2245 43.8958 35.1906 -273.322 -37.3352 121.793 44.8217 -16.0557 PRESSAVG: 1051000 -5.72859 10.4554 -16.0242 10.4553 92.384 0.938412 -16.0243 0.938331 -18.2954 GPRESSAVG: 1051000 -5.79617 11.012 -15.8434 9.38503 92.1978 -0.554877 -16.1848 1.28642 -17.8121 TIMING: 1051000 CPU: 3157.98, 0.00299688/step Wall: 3157.98, 0.00299688/step, 3.28741 hours remaining, 208.941406 MB of memory in use. ENERGY: 1051000 742.5829 2152.2934 1940.6574 106.4179 -205807.7471 17622.7710 0.0000 0.0000 34129.8062 -149113.2184 298.0641 -183243.0246 -149016.9890 300.0918 20.1558 48.2399 557998.8914 22.7866 22.8632 PRESSURE: 1051200 -173.613 26.2383 -162.292 26.237 -463.148 -13.3959 -162.293 -13.3965 -213.67 GPRESSURE: 1051200 -114.082 50.9943 -72.528 57.921 -430.486 21.4535 -140.213 3.18862 -214.003 PRESSAVG: 1051200 46.055 8.12741 23.7996 8.12744 -90.9178 -20.6955 23.7996 -20.6956 22.1499 GPRESSAVG: 1051200 46.3954 6.53573 26.5272 9.13593 -91.5024 -20.8308 23.4888 -21.463 22.2124 TIMING: 1051200 CPU: 3158.58, 0.0030096/step Wall: 3158.58, 0.0030096/step, 3.3012 hours remaining, 208.941406 MB of memory in use. ENERGY: 1051200 776.4877 2078.7682 1932.5725 104.7459 -205852.2197 17417.8710 0.0000 0.0000 34332.9575 -149208.8169 299.8383 -183541.7744 -149109.8180 299.8520 -283.4769 -252.8567 557463.0071 -7.5710 -7.6315 PRESSURE: 1051400 -82.8764 62.6297 7.7934 62.6315 -265.865 50.4093 7.7918 50.4094 26.1836 GPRESSURE: 1051400 -73.793 71.9479 28.0752 61.727 -187.611 -30.9515 55.551 45.4575 44.9551 PRESSAVG: 1051400 -24.0107 10.6126 54.6101 10.6126 1.83881 5.18569 54.6102 5.18573 72.9284 GPRESSAVG: 1051400 -24.472 12.5461 52.0201 9.79138 3.38587 5.35368 55.6663 6.63057 72.5295 TIMING: 1051400 CPU: 3159.19, 0.00302838/step Wall: 3159.19, 0.00302838/step, 3.32163 hours remaining, 208.941406 MB of memory in use. ENERGY: 1051400 751.8935 2099.9995 1917.7517 112.8205 -206136.5526 17747.6283 0.0000 0.0000 34131.7672 -149374.6918 298.0812 -183506.4590 -149285.1582 299.5569 -107.5192 -72.1495 557671.0463 16.9189 17.1478 PRESSURE: 1051600 -352.422 48.2915 -61.7308 48.2917 -238.309 170.207 -61.7319 170.206 -137.336 GPRESSURE: 1051600 -320.634 52.1829 -74.4564 72.5413 -227.303 225.294 -2.16598 188.967 -88.6844 PRESSAVG: 1051600 29.5129 25.3189 1.41244 25.3188 -35.1781 21.3562 1.41242 21.356 -27.5865 GPRESSAVG: 1051600 28.8422 24.5437 1.49912 25.1395 -35.4211 24.9575 2.07213 19.1617 -27.2881 TIMING: 1051600 CPU: 3159.79, 0.00300653/step Wall: 3159.79, 0.00300653/step, 3.2975 hours remaining, 208.941406 MB of memory in use. ENERGY: 1051600 717.7059 2095.6544 1952.3743 116.3230 -205734.7280 17371.4817 0.0000 0.0000 34155.0865 -149326.1022 298.2849 -183481.1887 -149224.6198 298.7331 -242.6890 -212.2071 559868.5193 -11.0839 -11.2890 PRESSURE: 1051800 -222.947 -42.4475 35.948 -42.4457 -227.369 -94.4152 35.9493 -94.4159 -78.4825 GPRESSURE: 1051800 -135.944 64.1649 56.3998 -88.0978 -172.365 -47.314 33.558 -133.932 -113.147 PRESSAVG: 1051800 32.5116 -25.5011 -25.1399 -25.501 -22.1537 -20.376 -25.1398 -20.376 25.1018 GPRESSAVG: 1051800 34.116 -25.1836 -25.2207 -25.6783 -22.4428 -23.6322 -26.3083 -18.8081 24.4393 TIMING: 1051800 CPU: 3160.39, 0.00299455/step Wall: 3160.39, 0.00299455/step, 3.28419 hours remaining, 208.941406 MB of memory in use. ENERGY: 1051800 741.1384 2019.7520 1953.0129 118.9714 -206111.5347 17669.9210 0.0000 0.0000 34278.2356 -149330.5034 299.3604 -183608.7390 -149233.2623 299.6916 -176.2664 -140.4856 557477.8564 11.8199 12.0375 PRESSURE: 1052000 -18.9095 -11.529 -9.01786 -11.5287 -174.206 57.0499 -9.01646 57.05 -177.583 GPRESSURE: 1052000 63.3487 -62.3353 38.8274 -43.3269 -159.567 78.6126 -48.4311 30.2818 -182.376 PRESSAVG: 1052000 45.1539 3.66431 -5.36483 3.6643 9.80577 15.9812 -5.36475 15.9813 -61.64 GPRESSAVG: 1052000 45.5219 2.56675 -6.03535 6.0164 10.1321 17.2708 -3.83202 17.1769 -61.802 TIMING: 1052000 CPU: 3160.98, 0.00297618/step Wall: 3160.98, 0.00297618/step, 3.26387 hours remaining, 208.941406 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: 1052000 770.7229 2022.9851 1924.9894 121.8909 -206234.4082 17748.4641 0.0000 0.0000 34212.5922 -149432.7638 298.7871 -183645.3559 -149336.4711 298.9288 -123.5662 -92.8649 556704.5071 -2.2268 -2.0493 PRESSURE: 1052200 -30.7632 -51.9941 -58.0518 -51.9946 -291.074 56.5977 -58.0507 56.5991 -298.049 GPRESSURE: 1052200 53.081 -38.3221 -125.724 -116.3 -257.935 29.6258 -17.1939 75.3329 -319.669 PRESSAVG: 1052200 65.5434 -5.88 70.9108 -5.8799 -26.9264 15.0033 70.9108 15.0032 -57.844 GPRESSAVG: 1052200 65.6125 -4.9316 71.7207 -8.68733 -26.2937 15.6084 69.9385 13.8322 -58.724 TIMING: 1052200 CPU: 3161.58, 0.00299154/step Wall: 3161.58, 0.00299154/step, 3.28055 hours remaining, 208.941406 MB of memory in use. ENERGY: 1052200 746.2857 2075.5358 1897.8823 120.8798 -205898.8299 17482.9662 0.0000 0.0000 34135.8435 -149439.4366 298.1168 -183575.2802 -149350.3483 298.5899 -206.6288 -174.8410 559102.5938 -6.4090 -6.4684 LDB: ============= START OF LOAD BALANCING ============== 3165.1 LDB: ============== END OF LOAD BALANCING =============== 3165.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3165.1 LDB: ============= START OF LOAD BALANCING ============== 3165.4 LDB: Largest compute 4800 load 0.027144 is 23.0% of average load 0.117878 LDB: Average compute 0.001735 is 1.5% of average load 0.117878 LDB: TIME 3165.4 LOAD: AVG 0.117878 MAX 0.209727 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.98 MB LDB: TIME 3165.4 LOAD: AVG 0.117878 MAX 0.209727 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.215 MB LDB: TIME 3165.4 LOAD: AVG 0.117878 MAX 0.209727 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.215 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3165.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3165.41 PRESSURE: 1052400 -98.9328 6.61333 -57.1925 6.61278 66.2175 53.7579 -57.1918 53.758 -163.183 GPRESSURE: 1052400 -88.3963 -43.67 -20.3635 54.5791 106.683 77.5447 -63.1656 -25.7859 -114.758 PRESSAVG: 1052400 35.7417 51.8778 12.1524 51.8778 3.02714 -13.4113 12.1524 -13.4113 -52.6669 GPRESSAVG: 1052400 35.8316 50.2972 11.9702 52.4865 2.09346 -13.0324 12.3033 -13.4514 -52.0377 TIMING: 1052400 CPU: 3162.19, 0.0030574/step Wall: 3162.19, 0.0030574/step, 3.35261 hours remaining, 207.199219 MB of memory in use. ENERGY: 1052400 719.9191 2091.1567 1898.1753 120.6472 -206292.3412 17842.0921 0.0000 0.0000 34288.4446 -149331.9063 299.4495 -183620.3509 -149236.0818 298.1418 -65.2995 -32.1573 557969.2858 -4.6327 -4.7042 PRESSURE: 1052600 203.997 -149.375 -31.8306 -149.376 -24.6009 -52.492 -31.8308 -52.4918 -213.986 GPRESSURE: 1052600 205.317 -117.218 72.2405 -58.4111 51.6711 1.62431 -88.2321 -74.3843 -200.501 PRESSAVG: 1052600 -4.44181 41.9543 -7.85621 41.9543 30.869 -17.9814 -7.85626 -17.9813 -41.0383 GPRESSAVG: 1052600 -5.84072 41.9715 -6.17869 41.9251 32.4152 -19.4291 -9.79447 -17.209 -40.9434 TIMING: 1052600 CPU: 3162.79, 0.00298096/step Wall: 3162.79, 0.00298096/step, 3.26862 hours remaining, 207.199219 MB of memory in use. ENERGY: 1052600 756.7402 2080.6226 1934.2296 108.7732 -206300.0049 17883.3380 0.0000 0.0000 34343.0567 -149193.2445 299.9265 -183536.3012 -149094.6830 298.5357 -11.5299 18.8291 556691.1056 -4.8704 -4.7896 PRESSURE: 1052800 72.2869 280.726 178.334 280.725 -6.97652 -102.739 178.334 -102.739 -125.571 GPRESSURE: 1052800 133.349 218.598 175.049 360.454 33.6151 -76.5029 241.073 -108.615 -124.441 PRESSAVG: 1052800 25.4472 63.5609 19.2846 63.5609 31.1932 -38.9846 19.2846 -38.9847 -54.4177 GPRESSAVG: 1052800 27.7615 62.1315 16.0157 66.2057 31.0759 -39.4536 22.3578 -38.7839 -56.5155 TIMING: 1052800 CPU: 3163.39, 0.00298991/step Wall: 3163.39, 0.00298991/step, 3.27827 hours remaining, 207.199219 MB of memory in use. ENERGY: 1052800 780.0330 2023.4496 1908.7654 111.7350 -206446.3765 17891.5300 0.0000 0.0000 34462.1876 -149268.6759 300.9669 -183730.8635 -149170.1108 299.5266 -20.0869 14.1746 557466.9318 0.7409 0.7740 PRESSURE: 1053000 149.337 102.511 74.1552 102.51 91.68 -101.5 74.1544 -101.501 -1.4512 GPRESSURE: 1053000 131.847 127.515 34.0183 19.2693 185.855 -118.469 57.0406 -92.3761 8.9323 PRESSAVG: 1053000 -94.5655 30.3939 30.9585 30.3939 39.1499 -10.934 30.9585 -10.934 38.2499 GPRESSAVG: 1053000 -95.6895 32.4239 31.3317 27.0466 38.7849 -9.9478 30.6736 -12.1416 39.47 TIMING: 1053000 CPU: 3163.99, 0.00301933/step Wall: 3163.99, 0.00301933/step, 3.31035 hours remaining, 207.199219 MB of memory in use. ENERGY: 1053000 760.8547 2031.0844 1915.6183 112.8209 -206237.2705 17981.6676 0.0000 0.0000 33995.5134 -149439.7110 296.8913 -183435.2244 -149352.0084 299.6645 79.8552 108.8779 557482.2784 -5.7219 -5.8116 PRESSURE: 1053200 246.408 84.9806 -124.919 84.9801 -173.657 170.455 -124.92 170.456 -82.7158 GPRESSURE: 1053200 235.302 158.27 -114.898 35.8229 -131.961 171.423 -98.839 162.636 -24.082 PRESSAVG: 1053200 0.432691 31.2919 46.7962 31.2919 33.0977 -46.2453 46.7962 -46.2454 13.1502 GPRESSAVG: 1053200 0.57552 32.0044 47.046 32.5169 32.6182 -45.7198 45.418 -46.0206 13.3544 TIMING: 1053200 CPU: 3164.6, 0.00303695/step Wall: 3164.6, 0.00303695/step, 3.32951 hours remaining, 207.199219 MB of memory in use. ENERGY: 1053200 784.0112 2092.8584 1899.0545 107.6244 -206175.6798 17698.1791 0.0000 0.0000 33991.8046 -149602.1477 296.8589 -183593.9523 -149501.0015 298.5083 -3.3219 26.4199 555678.1235 15.5602 15.5160 PRESSURE: 1053400 2.99388 53.2153 23.8347 53.2169 -209.293 -125.355 23.8354 -125.354 78.4026 GPRESSURE: 1053400 30.8161 129.94 -6.63402 15.8094 -192.931 -61.9961 41.3326 -175.826 127.271 PRESSAVG: 1053400 -39.9858 -11.0158 27.2961 -11.0158 20.0269 3.71197 27.2961 3.71205 -12.4463 GPRESSAVG: 1053400 -41.0228 -12.7308 27.6325 -10.2667 20.4697 3.85323 28.2017 2.80495 -12.21 TIMING: 1053400 CPU: 3165.2, 0.00302064/step Wall: 3165.2, 0.00302064/step, 3.31146 hours remaining, 207.199219 MB of memory in use. ENERGY: 1053400 744.5336 2088.7449 1891.8132 103.8350 -206166.6425 17591.2154 0.0000 0.0000 34132.0975 -149614.4030 298.0841 -183746.5005 -149513.4047 298.1508 -42.6322 -11.6144 555749.3147 -10.8017 -10.9210 PRESSURE: 1053600 78.7292 43.8114 190.351 43.8116 -139.214 122.81 190.351 122.809 -85.417 GPRESSURE: 1053600 171.203 71.3649 194.239 11.3288 -120.123 125.502 141.955 160.55 -97.8678 PRESSAVG: 1053600 11.1334 -1.95472 63.4088 -1.95473 18.7599 -27.4148 63.4088 -27.4148 -27.048 GPRESSAVG: 1053600 12.0121 -0.148649 64.1338 -4.02837 18.003 -25.8915 61.1852 -26.1781 -26.6258 TIMING: 1053600 CPU: 3165.8, 0.00301581/step Wall: 3165.8, 0.00301581/step, 3.306 hours remaining, 207.199219 MB of memory in use. ENERGY: 1053600 712.9983 2047.6935 1943.4662 100.0146 -206331.5018 17710.2059 0.0000 0.0000 34218.6634 -149598.4599 298.8401 -183817.1233 -149504.8374 298.0708 -48.6339 -15.5959 556037.2448 0.9485 1.1298 PRESSURE: 1053800 -141.936 -212.939 -10.9981 -212.939 15.4946 -8.2373 -10.9987 -8.23755 -147.713 GPRESSURE: 1053800 -25.0558 -112.512 -19.5594 -263.785 -10.8956 -28.664 54.1411 28.1767 -143.585 PRESSAVG: 1053800 -25.181 16.2633 -8.31971 16.2633 -13.4716 -64.4274 -8.31964 -64.4275 1.90668 GPRESSAVG: 1053800 -24.0113 16.867 -9.03692 15.9951 -13.9756 -65.7376 -8.41777 -63.7412 1.16369 TIMING: 1053800 CPU: 3166.41, 0.00301571/step Wall: 3166.41, 0.00301571/step, 3.30572 hours remaining, 207.199219 MB of memory in use. ENERGY: 1053800 723.8279 2059.5065 1925.5204 114.4413 -206183.8713 17595.4327 0.0000 0.0000 34210.1124 -149555.0302 298.7654 -183765.1425 -149459.5463 297.9064 -91.3846 -59.8456 555380.4686 -12.2486 -12.2744 PRESSURE: 1054000 141.139 -4.57891 -35.3186 -4.57869 -272.012 74.6414 -35.3182 74.6436 -132.765 GPRESSURE: 1054000 201.095 -31.112 -34.3225 -10.2468 -267.909 28.8981 81.7653 132.209 -101.937 PRESSAVG: 1054000 29.9858 -1.41843 20.7338 -1.4186 28.4837 -18.6426 20.7338 -18.6426 -31.8571 GPRESSAVG: 1054000 29.6502 -2.27541 20.4642 -2.33685 29.523 -17.4152 22.1929 -19.1356 -32.6383 TIMING: 1054000 CPU: 3167.01, 0.00300687/step Wall: 3167.01, 0.00300687/step, 3.29587 hours remaining, 207.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1054000 765.4057 2026.9354 1939.6986 111.3414 -206068.8839 17582.6085 0.0000 0.0000 34144.1688 -149498.7256 298.1895 -183642.8943 -149404.0713 298.4819 -87.8792 -56.2503 555012.9461 8.8708 8.8450 PRESSURE: 1054200 246.797 -32.1738 -62.9827 -32.1731 5.34553 -157.587 -62.9837 -157.586 187.65 GPRESSURE: 1054200 255.792 -23.1048 -45.9611 43.3292 60.1299 -126.483 -115.413 -148.463 234.12 PRESSAVG: 1054200 88.4664 -11.8584 -18.5539 -11.8584 -12.3632 9.91733 -18.554 9.91737 -31.9613 GPRESSAVG: 1054200 87.188 -13.9409 -19.014 -10.0051 -11.4615 9.39554 -18.9486 9.73914 -31.6154 TIMING: 1054200 CPU: 3167.61, 0.00300343/step Wall: 3167.61, 0.00300343/step, 3.29193 hours remaining, 207.199219 MB of memory in use. ENERGY: 1054200 695.8380 2051.2227 1911.0734 108.0495 -206084.2302 17823.7949 0.0000 0.0000 34144.0036 -149350.2481 298.1881 -183494.2517 -149257.2436 298.8318 146.5975 183.3471 555896.1694 14.7140 14.7037 PRESSURE: 1054400 264.645 46.5309 33.0557 46.5315 -102.853 54.6869 33.0546 54.6877 -101.89 GPRESSURE: 1054400 289.631 24.3787 79.0148 13.4555 -38.0603 61.0849 6.19642 -9.53688 -98.7059 PRESSAVG: 1054400 -9.11765 28.6504 14.0498 28.6504 -35.1003 5.79359 14.0497 5.79351 37.1121 GPRESSAVG: 1054400 -8.92259 27.8669 14.3919 29.56 -35.6288 4.97403 13.174 5.83839 37.4935 TIMING: 1054400 CPU: 3168.21, 0.00299688/step Wall: 3168.21, 0.00299688/step, 3.28458 hours remaining, 207.199219 MB of memory in use. ENERGY: 1054400 752.6695 2057.0683 1916.1603 106.1035 -206432.5637 17923.5307 0.0000 0.0000 34356.4800 -149320.5514 300.0437 -183677.0314 -149224.7995 299.0140 19.9676 50.9550 556261.7841 -2.3686 -2.3526 PRESSURE: 1054600 99.7188 45.971 -15.3881 45.9701 -252.117 -80.1562 -15.3866 -80.1555 -109.817 GPRESSURE: 1054600 106.469 23.2025 -71.152 12.6176 -162.842 -53.7148 -32.1257 -79.6005 -107.121 PRESSAVG: 1054600 45.34 33.654 6.88829 33.654 -20.2238 -64.6063 6.88828 -64.6062 -48.2248 GPRESSAVG: 1054600 46.0681 33.793 7.14912 33.781 -20.6322 -64.1475 6.39987 -64.9008 -48.6729 TIMING: 1054600 CPU: 3168.82, 0.0030311/step Wall: 3168.82, 0.0030311/step, 3.32192 hours remaining, 207.199219 MB of memory in use. ENERGY: 1054600 734.1325 2121.9278 1931.5013 114.3499 -205934.9570 17641.5524 0.0000 0.0000 34147.8841 -149243.6089 298.2220 -183391.4931 -149148.5554 299.2549 -87.4051 -54.4979 558457.0864 -7.7029 -7.7456 PRESSURE: 1054800 -32.7358 -80.0643 -10.4806 -80.0645 -50.8549 65.3077 -10.4814 65.3086 -72.6711 GPRESSURE: 1054800 -45.5629 -64.1293 -77.6332 -62.779 19.1969 60.4552 -23.6069 63.7491 -28.3156 PRESSAVG: 1054800 105.182 3.90923 -23.6236 3.90917 -71.0091 -16.7189 -23.6235 -16.7189 -5.69403 GPRESSAVG: 1054800 104.528 3.42322 -24.2109 4.50559 -69.7309 -17.5069 -21.851 -16.1203 -6.45281 TIMING: 1054800 CPU: 3169.42, 0.0030329/step Wall: 3169.42, 0.0030329/step, 3.32372 hours remaining, 207.199219 MB of memory in use. ENERGY: 1054800 742.8406 2080.7925 1914.9568 109.9871 -205931.3549 17697.7653 0.0000 0.0000 34253.8864 -149131.1260 299.1477 -183385.0125 -149034.3381 298.7826 -52.0872 -18.2272 558040.2401 9.4930 9.4482 PRESSURE: 1055000 -35.3604 80.5266 158.343 80.5263 177.558 -22.6795 158.343 -22.6785 302.217 GPRESSURE: 1055000 47.6768 128.043 177.581 50.7 199.771 -83.6157 208.073 -75.1478 295.298 PRESSAVG: 1055000 30.0161 4.77322 9.25508 4.77317 25.051 9.39204 9.25502 9.39198 -70.4202 GPRESSAVG: 1055000 30.3903 4.35466 9.76598 5.89593 24.0984 10.1215 6.99328 9.87731 -70.0953 TIMING: 1055000 CPU: 3170.03, 0.00303624/step Wall: 3170.03, 0.00303624/step, 3.32722 hours remaining, 207.199219 MB of memory in use. ENERGY: 1055000 724.6066 2065.4776 1957.3772 103.8628 -206548.6236 18182.2852 0.0000 0.0000 34301.1396 -149213.8747 299.5604 -183515.0143 -149131.3142 299.4471 148.1382 180.9152 557680.8863 -5.1177 -5.2022 PRESSURE: 1055200 -74.4786 46.2192 54.6504 46.2205 -95.3768 18.8424 54.6515 18.8418 -464.925 GPRESSURE: 1055200 -22.6146 70.1862 70.8356 -5.26234 -123.193 -65.572 74.4152 85.1481 -387.589 PRESSAVG: 1055200 -60.122 1.83139 91.9403 1.83142 31.8353 -31.9176 91.9404 -31.9176 -4.37566 GPRESSAVG: 1055200 -59.505 2.83083 92.671 0.349215 31.7084 -31.5877 93.0268 -34.1454 -4.36264 TIMING: 1055200 CPU: 3170.63, 0.00301541/step Wall: 3170.63, 0.00301541/step, 3.30422 hours remaining, 207.199219 MB of memory in use. ENERGY: 1055200 739.3421 2060.9186 1941.1094 113.2365 -205891.1933 17442.0966 0.0000 0.0000 34390.4442 -149204.0460 300.3403 -183594.4901 -149111.1640 299.6574 -211.5936 -177.7991 558198.4934 -10.8875 -10.7197 PRESSURE: 1055400 -81.2639 -47.9747 139.912 -47.9745 -104.885 47.7177 139.913 47.7185 -306.17 GPRESSURE: 1055400 -27.5264 -13.2924 69.9301 -3.92897 -100.924 91.1237 181.432 -14.3451 -263.628 PRESSAVG: 1055400 31.3277 -33.0731 36.8867 -33.0731 -13.1674 25.4942 36.8867 25.4942 -28.0263 GPRESSAVG: 1055400 31.7011 -32.0749 36.0095 -33.6557 -13.6352 26.5502 37.5905 26.1329 -27.4946 TIMING: 1055400 CPU: 3171.23, 0.00301282/step Wall: 3171.23, 0.00301282/step, 3.30121 hours remaining, 207.199219 MB of memory in use. ENERGY: 1055400 756.3532 2118.0698 1923.3568 104.3997 -205831.3668 17492.2909 0.0000 0.0000 34300.8711 -149136.0252 299.5580 -183436.8963 -149039.5032 299.3147 -164.1064 -130.6927 556883.4489 -3.2887 -3.1429 PRESSURE: 1055600 290.312 171.549 219.531 171.548 -14.345 -65.8812 219.533 -65.8799 -294.494 GPRESSURE: 1055600 348.275 179.929 260.85 93.5596 -17.1739 -136.829 188.757 -27.2529 -254.751 PRESSAVG: 1055600 70.5488 -0.538963 -1.67981 -0.539037 -5.94171 -34.7914 -1.67971 -34.7913 -46.5926 GPRESSAVG: 1055600 70.3641 0.518918 -2.09441 -3.05824 -4.81826 -35.4605 -0.402483 -34.695 -47.2303 TIMING: 1055600 CPU: 3171.83, 0.00297459/step Wall: 3171.83, 0.00297459/step, 3.25915 hours remaining, 207.199219 MB of memory in use. ENERGY: 1055600 741.6198 2077.1386 1927.6201 133.1968 -206162.5573 17816.4213 0.0000 0.0000 34327.9333 -149138.6274 299.7944 -183466.5607 -149040.5637 300.1043 -6.1756 25.4499 556769.4048 6.0048 6.1052 PRESSURE: 1055800 -230.07 124.435 -19.2669 124.434 46.0309 40.1309 -19.2672 40.1313 -208.833 GPRESSURE: 1055800 -188.264 145.574 -33.2878 161.145 64.5921 11.1239 -48.4767 -5.1397 -173.635 PRESSAVG: 1055800 3.8988 -27.2219 -9.44605 -27.2219 -3.60796 -33.2116 -9.44605 -33.2118 -0.723613 GPRESSAVG: 1055800 4.08492 -30.7541 -9.76325 -24.8284 -3.67813 -33.2761 -10.5641 -32.283 -0.691735 TIMING: 1055800 CPU: 3172.44, 0.00304502/step Wall: 3172.44, 0.00304502/step, 3.33616 hours remaining, 207.199219 MB of memory in use. ENERGY: 1055800 724.1417 2078.4532 1947.3451 112.3778 -205807.8855 17626.4265 0.0000 0.0000 34224.4277 -149094.7135 298.8904 -183319.1412 -148994.8774 299.4313 -130.9572 -99.1024 559076.4373 -0.1443 -0.0950 PRESSURE: 1056000 306.129 -97.088 -141.575 -97.0877 54.5092 56.4165 -141.575 56.417 -286.804 GPRESSURE: 1056000 318.043 -111.49 -134.546 -141.803 92.6167 16.3059 -131.959 32.2038 -236.267 PRESSAVG: 1056000 42.3102 -3.48617 -3.94159 -3.48629 -34.6565 -25.3741 -3.94161 -25.3741 -36.0583 GPRESSAVG: 1056000 41.5429 -0.34425 -2.77199 -3.27603 -35.0064 -25.6217 -3.44944 -24.3891 -35.1178 TIMING: 1056000 CPU: 3173.05, 0.00304079/step Wall: 3173.05, 0.00304079/step, 3.33136 hours remaining, 207.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1056000 748.6850 2105.8934 1902.3463 108.2853 -205963.3699 17769.0452 0.0000 0.0000 34186.9085 -149142.2062 298.5628 -183329.1147 -149057.6959 299.6111 24.6114 58.1307 557588.5904 -9.4682 -9.5271 PRESSURE: 1056200 -54.8888 248.234 43.9446 248.232 68.8088 22.2395 43.9437 22.2379 183.448 GPRESSURE: 1056200 -11.9915 317.239 51.3577 233.109 132.274 -13.7308 88.1485 63.7297 178.029 PRESSAVG: 1056200 85.347 45.2834 -32.2927 45.2834 -46.334 27.4166 -32.2928 27.4165 -36.2598 GPRESSAVG: 1056200 86.5571 44.3247 -32.7888 45.7816 -47.1638 26.3765 -33.0039 26.9116 -36.7646 TIMING: 1056200 CPU: 3173.66, 0.00305339/step Wall: 3173.66, 0.00305339/step, 3.34499 hours remaining, 207.199219 MB of memory in use. ENERGY: 1056200 728.9340 2088.4546 1944.3501 100.3354 -206526.0398 18122.4692 0.0000 0.0000 34214.3824 -149327.1141 298.8027 -183541.4965 -149233.8070 299.3491 65.7894 99.4370 557051.2161 0.9177 0.8762 LDB: ============= START OF LOAD BALANCING ============== 3177.18 LDB: ============== END OF LOAD BALANCING =============== 3177.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3177.18 LDB: ============= START OF LOAD BALANCING ============== 3177.48 LDB: Largest compute 4800 load 0.027335 is 23.2% of average load 0.117870 LDB: Average compute 0.001740 is 1.5% of average load 0.117870 LDB: TIME 3177.48 LOAD: AVG 0.11787 MAX 0.209613 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.105 MB LDB: TIME 3177.48 LOAD: AVG 0.11787 MAX 0.209613 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.309 MB LDB: TIME 3177.49 LOAD: AVG 0.11787 MAX 0.209613 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.309 MB LDB: ============== END OF LOAD BALANCING =============== 3177.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3177.49 PRESSURE: 1056400 -55.288 -110.879 -68.7751 -110.878 -265.4 112.166 -68.7737 112.166 -56.4581 GPRESSURE: 1056400 -50.6966 -99.5796 -60.4902 -31.5109 -214.367 46.1604 -143.7 135.684 -21.54 PRESSAVG: 1056400 38.8978 24.1104 -5.77862 24.1105 29.0006 40.6926 -5.77863 40.6926 -64.8673 GPRESSAVG: 1056400 38.375 24.0998 -4.08929 23.9438 28.3836 40.8607 -6.92123 40.1259 -62.9832 TIMING: 1056400 CPU: 3174.27, 0.00308415/step Wall: 3174.27, 0.00308415/step, 3.37851 hours remaining, 209.195312 MB of memory in use. ENERGY: 1056400 756.0648 2070.7139 1912.9579 103.7901 -206300.2772 17723.4868 0.0000 0.0000 34253.2074 -149480.0561 299.1418 -183733.2636 -149383.5319 299.6572 -125.7154 -95.5347 558282.6556 1.0104 1.2584 PRESSURE: 1056600 -98.6216 16.0864 13.8494 16.0878 58.4943 98.6221 13.8497 98.6228 -95.5862 GPRESSURE: 1056600 -100.108 -47.9743 88.9149 -24.3036 110.88 27.1598 -67.4909 137.341 -48.0798 PRESSAVG: 1056600 -8.43156 50.2473 -14.1434 50.2474 10.6925 -1.64675 -14.1435 -1.64677 -73.9861 GPRESSAVG: 1056600 -7.95246 51.312 -15.9205 49.4592 12.2733 -3.63792 -13.5936 -0.757251 -75.4224 TIMING: 1056600 CPU: 3174.89, 0.00305863/step Wall: 3174.89, 0.00305864/step, 3.35039 hours remaining, 209.261719 MB of memory in use. ENERGY: 1056600 777.9398 1995.9767 1915.1997 99.8542 -206600.5110 18041.0289 0.0000 0.0000 34370.4108 -149400.1008 300.1653 -183770.5116 -149301.7228 299.1842 -45.2378 -12.4359 557538.5162 -23.9084 -23.7005 PRESSURE: 1056800 17.6099 22.0181 143.985 22.0175 -225.473 -53.6627 143.983 -53.6631 -334.798 GPRESSURE: 1056800 37.133 -14.0188 195.57 26.1524 -239.402 -49.6933 142.921 -98.5031 -250.538 PRESSAVG: 1056800 18.7239 35.7859 -40.7416 35.7859 106.167 -51.5948 -40.7415 -51.5948 -131.802 GPRESSAVG: 1056800 18.4602 36.4184 -39.7078 35.2172 106.034 -49.518 -39.939 -52.6395 -131.111 TIMING: 1056800 CPU: 3175.49, 0.00303732/step Wall: 3175.49, 0.00303732/step, 3.32688 hours remaining, 209.261719 MB of memory in use. ENERGY: 1056800 733.4851 2087.7838 1921.4024 118.4720 -206120.9276 17664.2177 0.0000 0.0000 34245.8992 -149349.6675 299.0780 -183595.5667 -149252.1018 298.3588 -180.8871 -150.9356 559385.0879 -2.3037 -2.2058 PRESSURE: 1057000 83.4131 91.7532 129.94 91.7532 361.5 -10.3039 129.94 -10.3033 -255.829 GPRESSURE: 1057000 102.177 62.5436 211.656 88.3422 381.465 -62.2831 22.5396 91.2065 -188.323 PRESSAVG: 1057000 63.9354 2.53788 51.6513 2.53791 -40.7288 -12.861 51.6513 -12.861 -33.7221 GPRESSAVG: 1057000 63.1548 -0.479537 50.4032 3.57135 -39.7347 -12.1726 50.8198 -12.138 -33.5649 TIMING: 1057000 CPU: 3176.1, 0.00301504/step Wall: 3176.1, 0.00301504/step, 3.3023 hours remaining, 209.519531 MB of memory in use. ENERGY: 1057000 692.7372 2118.2970 1938.8431 111.6921 -206353.5009 17884.6642 0.0000 0.0000 34170.4126 -149436.8547 298.4187 -183607.2673 -149340.8431 298.4658 63.0281 98.4397 557993.1200 -3.5052 -3.3816 PRESSURE: 1057200 187.98 57.4128 -80.7605 57.4125 -14.865 27.8668 -80.7608 27.8667 145.87 GPRESSURE: 1057200 185.031 74.7794 -92.8298 14.2263 63.5462 26.1557 -27.1914 79.2995 171.323 PRESSAVG: 1057200 23.101 -29.5568 26.1545 -29.5568 -35.5672 2.98419 26.1545 2.98416 -20.5264 GPRESSAVG: 1057200 22.1058 -29.3103 26.3506 -29.637 -35.8393 2.16254 25.6164 3.41258 -19.7061 TIMING: 1057200 CPU: 3176.7, 0.00300277/step Wall: 3176.7, 0.00300277/step, 3.2887 hours remaining, 209.519531 MB of memory in use. ENERGY: 1057200 718.8913 2070.3604 1926.0725 110.7774 -206611.0052 17988.0281 0.0000 0.0000 34121.3683 -149675.5072 297.9904 -183796.8755 -149585.0540 298.3889 106.3282 139.9666 556970.4183 -10.9975 -11.1465 PRESSURE: 1057400 -41.0541 33.5782 -42.3678 33.5772 7.79827 84.7916 -42.3685 84.7915 -56.1965 GPRESSURE: 1057400 -17.9452 -17.1744 -87.5549 39.1401 -19.5023 163.895 -38.6377 137.436 58.8301 PRESSAVG: 1057400 10.6029 -1.2362 46.0906 -1.23627 -16.2732 23.3636 46.0906 23.3636 -1.04034 GPRESSAVG: 1057400 11.4816 0.727119 45.3283 0.156875 -16.9638 23.1204 46.1399 23.7787 -1.31192 TIMING: 1057400 CPU: 3177.3, 0.00301124/step Wall: 3177.3, 0.00301124/step, 3.29781 hours remaining, 209.519531 MB of memory in use. ENERGY: 1057400 757.0355 2101.9312 1920.5640 115.3838 -206540.9696 17927.1483 0.0000 0.0000 34060.8720 -149658.0348 297.4621 -183718.9068 -149556.5695 298.2570 -29.8174 7.1275 557467.0281 -2.2369 -2.2647 PRESSURE: 1057600 169.208 36.992 -207.828 36.9928 -111.908 20.8257 -207.828 20.825 -30.6005 GPRESSURE: 1057600 230.649 31.1318 -148.565 27.1264 -100.022 -52.815 -177.756 16.3111 -6.30317 PRESSAVG: 1057600 53.2795 40.852 -36.3459 40.8519 25.9067 -16.0061 -36.3458 -16.006 -61.6069 GPRESSAVG: 1057600 53.4902 40.1135 -35.1353 38.1332 25.4292 -15.5339 -35.3756 -16.8199 -62.0432 TIMING: 1057600 CPU: 3177.9, 0.00302047/step Wall: 3177.9, 0.00302047/step, 3.30775 hours remaining, 209.519531 MB of memory in use. ENERGY: 1057600 729.4009 2105.5813 1919.8675 101.5179 -206569.0669 17891.4560 0.0000 0.0000 34291.2387 -149530.0046 299.4739 -183821.2433 -149426.9602 298.0418 8.8996 41.4411 555938.0381 5.8598 5.6254 PRESSURE: 1057800 -330.212 115.192 105.16 115.192 -114.986 89.8908 105.159 89.8906 -318.402 GPRESSURE: 1057800 -269.925 63.0358 129.765 87.7012 -141.982 74.1605 90.9957 31.608 -254.443 PRESSAVG: 1057800 -15.3807 38.6865 22.9003 38.6865 37.7449 49.5558 22.9003 49.5558 -55.3078 GPRESSAVG: 1057800 -14.0889 38.7599 22.5593 41.0275 37.0398 49.1989 23.0295 50.8838 -55.5089 TIMING: 1057800 CPU: 3178.5, 0.00297897/step Wall: 3178.5, 0.00297897/step, 3.26213 hours remaining, 209.519531 MB of memory in use. ENERGY: 1057800 722.7933 1981.6322 1932.8443 112.0722 -206064.2260 17439.3289 0.0000 0.0000 34211.2003 -149664.3549 298.7749 -183875.5552 -149565.5849 297.6883 -254.5333 -222.1165 556460.7867 -10.9812 -10.8527 PRESSURE: 1058000 100.652 -152.887 -75.2404 -152.888 0.369261 -120.769 -75.24 -120.768 -64.8711 GPRESSURE: 1058000 171.016 -104.926 -49.4376 -156.028 -29.9608 -132.721 -64.0933 -80.0533 -3.22037 PRESSAVG: 1058000 6.5126 -6.38395 26.905 -6.38403 -11.2424 -48.9828 26.905 -48.9828 21.4297 GPRESSAVG: 1058000 5.70178 -5.7119 27.2345 -8.88043 -10.7703 -49.8269 27.2707 -50.1579 22.2184 TIMING: 1058000 CPU: 3179.1, 0.00299324/step Wall: 3179.1, 0.00299324/step, 3.2776 hours remaining, 209.519531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1058000 746.9091 2033.1814 1936.1151 120.6375 -206132.0364 17660.5007 0.0000 0.0000 34045.2517 -149589.4410 297.3257 -183634.6927 -149501.2222 298.8650 12.0502 45.9449 555216.6949 5.5666 5.7166 PRESSURE: 1058200 -226.501 -25.5924 -63.68 -25.5931 -70.4321 14.15 -63.6803 14.1505 -70.3974 GPRESSURE: 1058200 -161.135 -103.144 -8.10979 -14.333 -52.0096 48.6974 -21.5016 60.7898 -46.644 PRESSAVG: 1058200 -14.9273 -4.40081 17.8513 -4.40075 -3.71473 -25.2394 17.8514 -25.2393 22.7828 GPRESSAVG: 1058200 -15.1929 -4.1973 17.1165 -5.04598 -3.51654 -21.62 15.7483 -26.2007 22.9968 TIMING: 1058200 CPU: 3179.7, 0.00299398/step Wall: 3179.7, 0.00299398/step, 3.27825 hours remaining, 209.519531 MB of memory in use. ENERGY: 1058200 749.9017 2097.9590 1905.3431 108.4470 -206389.1259 17735.4557 0.0000 0.0000 34129.7184 -149662.3012 298.0633 -183792.0195 -149567.6597 297.8718 -122.4434 -86.5962 555474.2580 1.3802 1.4291 PRESSURE: 1058400 -68.7551 9.26074 96.0645 9.2599 94.2448 102.548 96.0644 102.548 -282.463 GPRESSURE: 1058400 -19.3389 12.1891 81.4783 -43.1043 75.4475 11.5452 57.3739 133.433 -211.203 PRESSAVG: 1058400 -69.612 -15.662 -0.805387 -15.6621 1.09734 24.0312 -0.805361 24.031 51.4591 GPRESSAVG: 1058400 -69.2735 -18.2905 -0.165641 -13.2732 1.60014 21.4512 -0.644612 24.663 50.4595 TIMING: 1058400 CPU: 3180.3, 0.00302878/step Wall: 3180.3, 0.00302878/step, 3.31618 hours remaining, 209.519531 MB of memory in use. ENERGY: 1058400 759.1639 2065.3770 1930.8228 108.4563 -206668.7614 17856.4511 0.0000 0.0000 34344.2405 -149604.2498 299.9368 -183948.4903 -149503.1086 298.0621 -85.6578 -51.6981 555848.9554 -5.6852 -5.7380 PRESSURE: 1058600 71.0077 60.7725 86.4629 60.7733 60.994 11.702 86.4618 11.7014 -225.803 GPRESSURE: 1058600 153.159 -47.4575 35.7123 50.3055 90.9607 53.3303 115.532 -38.8505 -248.55 PRESSAVG: 1058600 -23.3554 22.133 -13.9542 22.1329 59.0959 28.787 -13.9542 28.7871 -6.40235 GPRESSAVG: 1058600 -23.6924 24.7503 -14.5956 20.815 59.7354 28.1756 -13.8792 29.865 -6.27888 TIMING: 1058600 CPU: 3180.9, 0.00300918/step Wall: 3180.9, 0.00300918/step, 3.29455 hours remaining, 209.519531 MB of memory in use. ENERGY: 1058600 746.1533 2063.3174 1941.7659 102.5067 -206623.1578 17887.0011 0.0000 0.0000 34173.2447 -149709.1688 298.4434 -183882.4135 -149612.8246 297.9151 -31.2670 -1.4770 556670.4360 9.7794 9.9214 PRESSURE: 1058800 -4.12583 -82.5942 -38.4036 -82.5945 135.815 84.3282 -38.4032 84.329 -162.103 GPRESSURE: 1058800 55.7541 -68.5403 -50.019 -77.9458 184.202 98.4321 -44.6624 96.7512 -183.846 PRESSAVG: 1058800 51.7988 -14.8081 -68.5259 -14.808 -22.9083 -19.0018 -68.5259 -19.0017 -8.82221 GPRESSAVG: 1058800 51.5464 -15.2407 -68.7424 -14.3241 -24.129 -18.0531 -66.8948 -18.8168 -7.76092 TIMING: 1058800 CPU: 3181.51, 0.00300981/step Wall: 3181.51, 0.00300981/step, 3.29508 hours remaining, 209.519531 MB of memory in use. ENERGY: 1058800 719.0522 2125.1151 1935.7265 118.1224 -206430.0017 17847.4794 0.0000 0.0000 33997.8319 -149686.6742 296.9115 -183684.5061 -149590.9472 298.3640 -10.1380 18.7033 558171.6282 6.6894 6.5522 PRESSURE: 1059000 -129.582 80.9917 -74.3494 80.9914 -83.5035 -1.08439 -74.3497 -1.08442 210.527 GPRESSURE: 1059000 -89.6923 -44.187 -196.272 70.434 -43.104 -15.5118 33.8956 23.0442 227.596 PRESSAVG: 1059000 3.04742 26.2241 -18.5584 26.2242 -18.1796 -32.6923 -18.5584 -32.6922 8.13131 GPRESSAVG: 1059000 2.58087 26.0069 -18.4284 24.0767 -16.9257 -33.8697 -18.4605 -32.5975 7.23002 TIMING: 1059000 CPU: 3182.11, 0.00300073/step Wall: 3182.11, 0.00300073/step, 3.28496 hours remaining, 209.519531 MB of memory in use. ENERGY: 1059000 731.5125 2144.8154 1934.0039 113.9630 -206402.2861 17790.7141 0.0000 0.0000 34078.1630 -149609.1142 297.6131 -183687.2773 -149507.2801 297.7442 -0.8530 31.6000 556576.9692 -2.3336 -2.3716 PRESSURE: 1059200 132.67 -8.67307 45.142 -8.67349 -116.01 -112.335 45.1413 -112.334 188.514 GPRESSURE: 1059200 207.844 0.177486 10.3714 -58.0513 -97.8116 -219.175 29.092 -37.0715 200.263 PRESSAVG: 1059200 15.2566 20.0404 -8.82306 20.0405 -31.4869 31.3154 -8.82296 31.3152 43.8196 GPRESSAVG: 1059200 16.0179 19.6917 -9.53577 23.972 -31.3651 31.8302 -9.57044 31.0452 43.0475 TIMING: 1059200 CPU: 3182.7, 0.00299294/step Wall: 3182.7, 0.00299294/step, 3.27627 hours remaining, 209.519531 MB of memory in use. ENERGY: 1059200 768.0060 2066.1530 1935.4027 103.1534 -206596.9612 18018.9235 0.0000 0.0000 34150.5353 -149554.7872 298.2451 -183705.3225 -149450.9388 298.6186 68.3911 103.4318 556348.5445 9.1964 9.2334 PRESSURE: 1059400 -167.544 -183.037 -109.475 -183.037 112.938 -76.2175 -109.474 -76.2173 112.907 GPRESSURE: 1059400 -131.498 -139.901 -66.4243 -125.568 158.874 -95.3698 -134.626 -112.554 121.917 PRESSAVG: 1059400 -12.796 78.0525 13.1058 78.0525 54.3277 27.9269 13.1058 27.927 20.3004 GPRESSAVG: 1059400 -11.7577 77.2687 14.3281 77.3607 52.4563 29.5482 11.3013 24.3309 21.4121 TIMING: 1059400 CPU: 3183.3, 0.00298116/step Wall: 3183.3, 0.00298116/step, 3.26321 hours remaining, 209.519531 MB of memory in use. ENERGY: 1059400 750.7087 2097.2941 1930.7000 130.1493 -206863.7406 18080.0258 0.0000 0.0000 34289.9545 -149584.9082 299.4627 -183874.8627 -149485.9923 298.9682 19.4336 49.7643 556960.3413 20.6107 20.7036 PRESSURE: 1059600 54.4852 -24.7531 -87.0544 -24.7525 161.945 98.917 -87.0553 98.9163 1.51146 GPRESSURE: 1059600 129.992 -37.6018 -55.4541 -89.9263 191.075 79.6809 -47.7935 140.785 -16.5131 PRESSAVG: 1059600 -30.2865 -37.3642 12.781 -37.3643 7.05634 -14.9275 12.7809 -14.9276 -8.84108 GPRESSAVG: 1059600 -31.9861 -36.561 10.7003 -36.7271 8.99328 -16.4148 15.7704 -13.8419 -8.87539 TIMING: 1059600 CPU: 3183.9, 0.00299902/step Wall: 3183.9, 0.00299902/step, 3.2826 hours remaining, 209.519531 MB of memory in use. ENERGY: 1059600 756.1045 2051.8921 1912.6678 105.6510 -206669.8476 18122.1669 0.0000 0.0000 34097.4215 -149623.9438 297.7813 -183721.3653 -149532.4574 298.7344 72.6472 101.5178 557202.2989 -10.6904 -10.6227 PRESSURE: 1059800 -125.772 86.8986 -25.8448 86.8977 -134.624 -30.2807 -25.8452 -30.2816 -186.232 GPRESSURE: 1059800 -79.0206 28.8547 -39.3299 56.9656 -164.907 -64.5929 -38.9586 45.2901 -114.258 PRESSAVG: 1059800 31.5381 -13.8565 -9.78376 -13.8564 -71.716 -33.5873 -9.78382 -33.5873 28.903 GPRESSAVG: 1059800 31.1096 -14.9521 -8.61009 -15.7163 -71.865 -36.9717 -11.6888 -31.1442 29.3632 TIMING: 1059800 CPU: 3184.5, 0.00301069/step Wall: 3184.5, 0.00301069/step, 3.29521 hours remaining, 209.519531 MB of memory in use. ENERGY: 1059800 756.5101 2138.3314 1929.4256 106.6011 -206266.4451 17757.0448 0.0000 0.0000 34129.8335 -149448.6986 298.0643 -183578.5321 -149352.8217 298.1738 -148.8760 -119.3955 558656.5363 -3.7583 -3.7974 PRESSURE: 1060000 -8.19194 -86.3804 49.2056 -86.3798 -230.512 -86.4444 49.2058 -86.4421 103.673 GPRESSURE: 1060000 25.0446 -164.397 -1.19912 -38.4221 -166.172 -56.4101 94.4328 -84.7955 91.8973 PRESSAVG: 1060000 23.4202 24.8178 -1.80969 24.8177 -12.8671 71.8298 -1.80972 71.8299 -63.66 GPRESSAVG: 1060000 24.1573 26.1491 -3.99621 26.1713 -13.1512 72.6806 0.389884 71.4974 -64.0768 TIMING: 1060000 CPU: 3185.11, 0.0030156/step Wall: 3185.11, 0.0030156/step, 3.3004 hours remaining, 209.519531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1060000 725.5491 2062.7291 1940.4883 121.4792 -206026.8301 17587.5753 0.0000 0.0000 34120.5328 -149468.4763 297.9831 -183589.0091 -149377.1177 298.2936 -45.0104 -16.4099 557684.0919 -17.7023 -17.6902 PRESSURE: 1060200 434.001 132.052 142.657 132.052 15.1542 96.9547 142.658 96.956 75.3788 GPRESSURE: 1060200 416.704 161.475 184.373 135.241 27.071 124.761 108.497 128.981 165.978 PRESSAVG: 1060200 49.6167 10.678 -0.480151 10.678 1.12755 38.2076 -0.480173 38.2077 -13.4515 GPRESSAVG: 1060200 48.8987 11.5444 0.939904 9.64597 1.87758 39.9202 -2.83594 37.9146 -13.5642 TIMING: 1060200 CPU: 3185.71, 0.00300591/step Wall: 3185.71, 0.00300591/step, 3.28964 hours remaining, 209.519531 MB of memory in use. ENERGY: 1060200 726.8541 2090.8219 1915.6822 111.7009 -206714.5614 18201.7024 0.0000 0.0000 34354.5978 -149313.2021 300.0272 -183667.8000 -149210.7490 298.9930 174.8448 203.2510 556636.4233 12.4309 12.4040 LDB: ============= START OF LOAD BALANCING ============== 3189.23 LDB: ============== END OF LOAD BALANCING =============== 3189.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3189.23 LDB: ============= START OF LOAD BALANCING ============== 3189.53 LDB: Largest compute 4794 load 0.027579 is 23.4% of average load 0.117902 LDB: Average compute 0.001738 is 1.5% of average load 0.117902 LDB: TIME 3189.54 LOAD: AVG 0.117902 MAX 0.210679 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.398 MB LDB: TIME 3189.54 LOAD: AVG 0.117902 MAX 0.210679 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.469 MB LDB: TIME 3189.54 LOAD: AVG 0.117902 MAX 0.210679 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.469 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3189.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3189.54 PRESSURE: 1060400 -26.1699 -79.4089 -142.803 -79.4092 -100.34 -55.6794 -142.803 -55.6805 40.1636 GPRESSURE: 1060400 49.7609 -83.2306 -103.177 -183.965 -96.046 -125.655 -164.115 -33.5523 57.8826 PRESSAVG: 1060400 2.93458 29.9528 28.3633 29.9529 -50.7525 -6.91839 28.3634 -6.91831 24.7832 GPRESSAVG: 1060400 2.6825 27.6996 30.496 30.093 -49.8445 -7.54549 26.988 -6.88988 24.5742 TIMING: 1060400 CPU: 3186.33, 0.00309779/step Wall: 3186.33, 0.00309779/step, 3.39001 hours remaining, 208.679688 MB of memory in use. ENERGY: 1060400 755.4292 2052.2163 1939.1463 117.5365 -206175.9885 17682.3657 0.0000 0.0000 34337.2469 -149292.0476 299.8757 -183629.2944 -149194.0989 299.1947 -28.7822 3.8658 556129.0737 -7.6783 -7.5293 PRESSURE: 1060600 140.364 225.98 -12.5449 225.981 231.219 113.484 -12.5457 113.483 1.02255 GPRESSURE: 1060600 187.359 216.659 73.561 288.693 256.887 110.995 -17.5175 157.493 19.7926 PRESSAVG: 1060600 0.971877 -9.03384 -12.9054 -9.03383 8.60125 19.9773 -12.9053 19.9774 18.4634 GPRESSAVG: 1060600 1.91479 -8.80891 -13.6448 -8.44177 8.21454 21.7559 -12.589 19.4755 18.79 TIMING: 1060600 CPU: 3186.93, 0.00301341/step Wall: 3186.93, 0.00301341/step, 3.29751 hours remaining, 208.882812 MB of memory in use. ENERGY: 1060600 785.6511 2096.9845 1899.3556 120.5039 -206682.5564 18106.7874 0.0000 0.0000 34276.7192 -149396.5548 299.3471 -183673.2739 -149302.6539 298.2766 124.2018 154.6796 556618.2640 9.3455 9.6398 PRESSURE: 1060800 202.644 51.089 135.166 51.0887 57.6511 68.3844 135.167 68.3852 313.721 GPRESSURE: 1060800 189.392 116.566 290.863 -53.2617 107.852 89.8719 49.7501 34.6987 373.283 PRESSAVG: 1060800 42.9103 22.9229 2.25967 22.923 -1.9827 35.4491 2.25961 35.4492 -60.7023 GPRESSAVG: 1060800 43.5338 23.4703 2.0786 22.7516 -1.61663 33.8237 3.10661 37.1602 -61.8413 TIMING: 1060800 CPU: 3187.53, 0.00301626/step Wall: 3187.53, 0.00301626/step, 3.30046 hours remaining, 208.882812 MB of memory in use. ENERGY: 1060800 725.2411 2064.4288 1898.6020 106.5357 -206279.3783 18009.6302 0.0000 0.0000 34093.8238 -149381.1166 297.7498 -183474.9404 -149291.8081 298.8844 191.3385 223.5088 556546.3250 -6.5916 -6.6414 PRESSURE: 1061000 -1.78719 46.6425 -106.099 46.6424 100.541 127.872 -106.1 127.872 -299.413 GPRESSURE: 1061000 65.4837 68.2303 -121.46 -26.4547 114.104 189.273 -147.872 76.7067 -288.697 PRESSAVG: 1061000 46.5175 46.9539 32.7438 46.9539 31.5755 66.149 32.7438 66.149 -70.2927 GPRESSAVG: 1061000 46.1393 46.9236 33.3464 46.673 31.226 66.1612 33.167 65.1689 -69.4294 TIMING: 1061000 CPU: 3188.14, 0.00303102/step Wall: 3188.14, 0.00303102/step, 3.31644 hours remaining, 208.882812 MB of memory in use. ENERGY: 1061000 785.0407 2054.3855 1937.8168 104.3827 -206116.6413 17814.9056 0.0000 0.0000 34124.6063 -149295.5036 298.0187 -183420.1100 -149202.3903 298.1792 -66.8864 -36.3699 557289.8469 2.6001 2.6453 PRESSURE: 1061200 114.671 227.131 -115.356 227.131 0.597137 -116.516 -115.358 -116.516 -391.518 GPRESSURE: 1061200 161.068 207.529 -100.112 212.287 -20.4621 -149.382 -90.7005 -99.2623 -325.286 PRESSAVG: 1061200 20.0639 28.7145 -7.39062 28.7144 70.4382 -25.3137 -7.39063 -25.3137 -75.8044 GPRESSAVG: 1061200 20.7971 29.2244 -7.89241 27.4301 70.5129 -24.0173 -8.1268 -27.0309 -76.4257 TIMING: 1061200 CPU: 3188.74, 0.00302714/step Wall: 3188.74, 0.00302714/step, 3.31203 hours remaining, 208.882812 MB of memory in use. ENERGY: 1061200 722.5975 2089.0455 1931.1017 124.0344 -206002.3582 17638.9007 0.0000 0.0000 34291.6115 -149205.0670 299.4772 -183496.6785 -149109.3043 299.3716 -92.0832 -61.5600 558044.9656 4.8992 4.9614 PRESSURE: 1061400 -39.4986 7.00163 -154.47 7.00145 -48.8185 77.6975 -154.471 77.6992 -86.0095 GPRESSURE: 1061400 14.039 77.4794 -89.5924 -46.4973 -2.33208 38.225 -110.063 103.105 -90.6602 PRESSAVG: 1061400 3.60912 -28.0141 20.9702 -28.0142 52.007 -38.8154 20.9702 -38.8154 -37.2522 GPRESSAVG: 1061400 2.73653 -30.3268 19.4106 -24.9376 51.6237 -40.3029 21.3304 -35.9523 -35.9732 TIMING: 1061400 CPU: 3189.35, 0.0030232/step Wall: 3189.35, 0.0030232/step, 3.30755 hours remaining, 208.882812 MB of memory in use. ENERGY: 1061400 752.6903 2082.9166 1913.3361 110.5125 -205878.2670 17741.6801 0.0000 0.0000 34130.5233 -149146.6081 298.0703 -183277.1314 -149053.6089 299.7831 -58.1088 -26.3178 558661.0062 6.1213 6.1290 PRESSURE: 1061600 -127.222 -67.1136 22.799 -67.1148 -132.658 -199.865 22.7999 -199.866 -53.5597 GPRESSURE: 1061600 -144.095 -38.3476 54.9081 -49.4838 -76.6855 -246.545 -6.28553 -140.129 6.95601 PRESSAVG: 1061600 -14.7839 -0.242603 -8.64396 -0.242619 -28.6007 -23.695 -8.64393 -23.6951 -0.537931 GPRESSAVG: 1061600 -14.9701 3.87211 -8.77676 -4.19387 -27.3106 -25.9781 -7.86116 -22.1285 -1.31197 TIMING: 1061600 CPU: 3189.95, 0.00301535/step Wall: 3189.95, 0.00301535/step, 3.2988 hours remaining, 208.882812 MB of memory in use. ENERGY: 1061600 763.5557 2037.0186 1951.8314 116.8458 -206003.3887 17650.4739 0.0000 0.0000 34239.5535 -149244.1098 299.0225 -183483.6633 -149137.8741 298.9662 -104.4798 -71.2750 557633.1179 -14.6409 -14.5309 PRESSURE: 1061800 -328.997 -107.29 97.3132 -107.291 7.41967 -84.3386 97.3134 -84.3383 60.847 GPRESSURE: 1061800 -260.485 -30.6252 50.0281 -132.44 -2.50601 -124.368 55.4516 -59.1935 102.922 PRESSAVG: 1061800 -19.2114 -1.81872 -22.2121 -1.81872 22.2242 18.099 -22.2121 18.099 21.1773 GPRESSAVG: 1061800 -18.1015 -2.06673 -22.4343 -0.834202 21.3782 20.246 -22.4423 16.5416 21.2762 TIMING: 1061800 CPU: 3190.56, 0.00303212/step Wall: 3190.56, 0.00303212/step, 3.31697 hours remaining, 208.882812 MB of memory in use. ENERGY: 1061800 749.3313 2102.6641 1907.5489 111.0703 -205715.5767 17490.4984 0.0000 0.0000 34212.1907 -149142.2730 298.7836 -183354.4637 -149048.9382 299.6355 -86.9102 -53.3562 558189.9577 8.0634 8.1843 PRESSURE: 1062000 147.039 12.2769 -177.89 12.2785 -77.8004 -65.29 -177.89 -65.2903 39.0067 GPRESSURE: 1062000 188.302 49.5578 -159.874 51.0721 0.397719 6.75308 -172.598 -93.4942 24.5097 PRESSAVG: 1062000 0.682616 -53.6844 -6.45588 -53.6844 18.4293 3.63187 -6.45594 3.63185 11.8182 GPRESSAVG: 1062000 0.272041 -53.9326 -6.10622 -52.7871 17.9465 4.02094 -6.83106 2.85798 12.018 TIMING: 1062000 CPU: 3191.16, 0.00301692/step Wall: 3191.16, 0.00301692/step, 3.30017 hours remaining, 208.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1062000 740.2998 2120.4177 1922.5644 113.2416 -206398.7400 17861.9220 0.0000 0.0000 34465.3099 -149174.9846 300.9941 -183640.2945 -149067.6932 299.5927 36.0817 71.0697 555622.1211 10.3100 10.0789 PRESSURE: 1062200 7.73496 18.7365 74.3553 18.7386 -124.712 92.6809 74.3562 92.682 115.961 GPRESSURE: 1062200 54.8754 -20.2359 117.752 50.95 -74.7795 128.076 36.7358 82.1221 99.3572 PRESSAVG: 1062200 -24.4159 11.3553 8.20073 11.3553 -9.98359 -5.48348 8.20073 -5.4835 55.0312 GPRESSAVG: 1062200 -23.5804 9.79839 8.8432 12.8359 -10.9106 -5.24831 7.65352 -5.16317 55.44 TIMING: 1062200 CPU: 3191.77, 0.00302645/step Wall: 3191.77, 0.00302645/step, 3.31043 hours remaining, 208.882812 MB of memory in use. ENERGY: 1062200 726.9196 2080.1571 1925.9428 102.6691 -205844.1814 17693.6957 0.0000 0.0000 34242.2150 -149072.5822 299.0458 -183314.7972 -148973.1679 299.6421 -0.3387 26.4844 557711.8547 6.8772 6.9830 PRESSURE: 1062400 133.012 156.795 271.451 156.796 74.0082 28.7403 271.451 28.7417 181.114 GPRESSURE: 1062400 186.592 157.719 242.649 114.128 79.8366 46.1984 173.223 -2.83413 217.168 PRESSAVG: 1062400 30.5591 -0.164936 44.5621 -0.164902 -76.5715 20.8232 44.5619 20.8233 29.5494 GPRESSAVG: 1062400 28.5304 1.39251 42.8239 -3.23989 -73.8118 21.3922 45.0984 20.9502 28.9376 TIMING: 1062400 CPU: 3192.37, 0.00301471/step Wall: 3192.37, 0.00301472/step, 3.29743 hours remaining, 208.882812 MB of memory in use. ENERGY: 1062400 762.6944 2068.4839 1920.1399 119.8396 -206196.5550 17924.2106 0.0000 0.0000 34119.5193 -149281.6672 297.9742 -183401.1865 -149184.8558 299.4963 129.3782 161.1988 556603.9031 -5.4877 -5.4479 PRESSURE: 1062600 -78.1789 -97.0178 -142.213 -97.0176 -282.599 -1.19891 -142.214 -1.19964 -131.82 GPRESSURE: 1062600 -129.922 -152.534 -119.28 -24.4232 -225.835 -48.3896 -225.301 -6.72052 -34.3462 PRESSAVG: 1062600 -57.6662 -10.4709 14.2098 -10.4709 -45.1655 -57.8722 14.2098 -57.8722 94.251 GPRESSAVG: 1062600 -55.9555 -12.5297 15.9483 -8.08948 -46.5468 -59.1271 14.3814 -56.3399 93.716 TIMING: 1062600 CPU: 3192.98, 0.00302497/step Wall: 3192.98, 0.00302497/step, 3.30847 hours remaining, 208.882812 MB of memory in use. ENERGY: 1062600 719.8571 2117.7441 1941.0619 116.0827 -205577.1877 17258.0175 0.0000 0.0000 34199.6029 -149224.8214 298.6736 -183424.4244 -149132.7271 299.4090 -164.1995 -130.0343 556780.6929 -2.8603 -2.9288 PRESSURE: 1062800 -261.06 -40.908 -113.715 -40.908 -106.688 79.1629 -113.716 79.163 -150.61 GPRESSURE: 1062800 -263.617 -75.09 -117.325 29.7789 -72.4481 100.693 -78.6402 26.6676 -83.4614 PRESSAVG: 1062800 4.60122 -12.4766 8.46269 -12.4767 -16.4609 6.83261 8.46278 6.83265 17.2799 GPRESSAVG: 1062800 4.93431 -11.8669 7.45602 -12.0203 -16.975 8.3774 8.86598 4.53187 17.325 TIMING: 1062800 CPU: 3193.58, 0.00302921/step Wall: 3193.58, 0.00302921/step, 3.31295 hours remaining, 208.882812 MB of memory in use. ENERGY: 1062800 756.4915 2095.2527 1929.8006 119.2942 -205820.0755 17461.4559 0.0000 0.0000 34257.9073 -149199.8733 299.1828 -183457.7806 -149102.3899 298.9162 -172.7861 -139.8421 558243.2314 1.8067 1.7614 PRESSURE: 1063000 -385.331 -141.441 -68.2538 -141.439 -143.102 -8.99574 -68.2519 -8.99738 266.368 GPRESSURE: 1063000 -320.898 -181.229 -150.256 -46.0122 -78.0266 21.1353 -96.5655 11.5537 226.937 PRESSAVG: 1063000 -67.1816 -6.7076 22.1486 -6.70759 -49.8195 74.1761 22.1486 74.176 67.5507 GPRESSAVG: 1063000 -68.4184 -6.74745 23.7295 -6.7115 -50.8071 73.3314 20.4062 76.5418 69.0799 TIMING: 1063000 CPU: 3194.19, 0.00305047/step Wall: 3194.19, 0.00305047/step, 3.33603 hours remaining, 208.882812 MB of memory in use. ENERGY: 1063000 751.5117 2136.7329 1912.4913 124.7030 -206299.7224 17733.3270 0.0000 0.0000 34176.1593 -149464.7971 298.4689 -183640.9564 -149365.5085 298.7602 -87.3548 -57.3292 557857.3826 -16.4835 -16.7152 PRESSURE: 1063200 -302.385 -230.334 182.423 -230.334 -118.295 191.989 182.424 191.99 13.2051 GPRESSURE: 1063200 -296.871 -240.691 169.24 -243.832 -102.957 154.069 185.256 85.4302 92.1291 PRESSAVG: 1063200 -36.8309 -17.6956 -1.52718 -17.6956 -19.3295 24.6895 -1.52715 24.6895 61.4732 GPRESSAVG: 1063200 -36.1585 -16.5969 -2.6189 -16.6484 -18.2712 25.0578 1.75302 25.1819 59.5088 TIMING: 1063200 CPU: 3194.8, 0.00304171/step Wall: 3194.8, 0.00304171/step, 3.32628 hours remaining, 208.882812 MB of memory in use. ENERGY: 1063200 758.7705 2092.7485 1926.2592 112.1580 -206648.9569 17804.8750 0.0000 0.0000 34167.3627 -149786.7830 298.3921 -183954.1457 -149686.4322 298.3056 -135.8250 -102.5663 558477.5306 1.7710 1.6930 PRESSURE: 1063400 87.3969 -168.151 -85.1297 -168.154 -355.799 -86.5024 -85.1307 -86.5021 141.013 GPRESSURE: 1063400 60.8168 -56.4584 -74.5799 -177.383 -249.839 -62.6467 70.2426 -24.1214 153.73 PRESSAVG: 1063400 48.0075 -14.9463 12.3123 -14.9464 -47.8725 -28.5828 12.3123 -28.5828 14.2259 GPRESSAVG: 1063400 48.4775 -15.2179 12.137 -17.8649 -47.5562 -27.6573 10.2264 -29.5197 14.0041 TIMING: 1063400 CPU: 3195.41, 0.00303385/step Wall: 3195.41, 0.00303385/step, 3.31751 hours remaining, 208.882812 MB of memory in use. ENERGY: 1063400 786.2717 2047.1221 1932.6301 117.1369 -206649.3244 17841.8985 0.0000 0.0000 34061.0461 -149863.2190 297.4636 -183924.2651 -149768.0947 298.3547 -42.4632 -11.7642 557535.0883 4.7870 4.9751 PRESSURE: 1063600 -329.697 42.1662 -83.2032 42.1665 -58.5235 -114.616 -83.204 -114.617 -155.431 GPRESSURE: 1063600 -256.405 25.5357 -93.5874 81.78 -43.4329 -42.3253 -42.2006 -175.671 -146.641 PRESSAVG: 1063600 27.3503 11.6456 17.6368 11.6457 -14.7725 -1.83306 17.6368 -1.83316 17.1454 GPRESSAVG: 1063600 25.9946 10.4685 17.1041 12.3465 -14.0294 -3.55509 18.5964 0.0104061 17.4605 TIMING: 1063600 CPU: 3196.01, 0.00300637/step Wall: 3196.01, 0.00300637/step, 3.2873 hours remaining, 208.882812 MB of memory in use. ENERGY: 1063600 763.9008 2037.8013 1924.7022 120.2767 -206449.5773 17644.7348 0.0000 0.0000 34156.5441 -149801.6175 298.2976 -183958.1616 -149706.5662 297.7037 -181.2171 -148.8263 559097.0381 9.9077 9.8086 PRESSURE: 1063800 -107.592 -5.26466 59.8384 -5.26376 180.792 59.4989 59.8391 59.4987 92.1486 GPRESSURE: 1063800 23.6451 -19.8726 -13.574 -26.4053 144.736 100.473 107.311 62.9894 94.1796 PRESSAVG: 1063800 -48.1486 -29.7562 42.4262 -29.7561 9.10033 -51.0193 42.4262 -51.0193 37.5542 GPRESSAVG: 1063800 -46.5033 -29.317 42.8617 -29.3179 7.39891 -50.0148 39.9171 -53.5449 37.8425 TIMING: 1063800 CPU: 3196.61, 0.00301965/step Wall: 3196.61, 0.00301965/step, 3.30165 hours remaining, 208.882812 MB of memory in use. ENERGY: 1063800 697.8194 2057.4171 1935.3228 107.6940 -206773.8844 18020.5817 0.0000 0.0000 34143.8458 -149811.2035 298.1867 -183955.0493 -149717.8149 298.1275 55.1162 87.5204 557950.2018 -0.4980 -0.4206 PRESSURE: 1064000 120.486 -101.781 -50.1922 -101.781 -240.409 -36.6948 -50.1922 -36.6945 58.7531 GPRESSURE: 1064000 151.612 -148.523 -133.117 -91.481 -192.807 -22.0048 -24.2264 -70.5245 74.7373 PRESSAVG: 1064000 -17.971 0.656181 -50.4887 0.656187 41.7083 8.09498 -50.4888 8.09495 -16.7464 GPRESSAVG: 1064000 -19.5084 2.59082 -51.337 0.044561 42.2792 7.05137 -48.6176 7.89583 -15.6484 TIMING: 1064000 CPU: 3197.22, 0.00304371/step Wall: 3197.22, 0.00304371/step, 3.32779 hours remaining, 208.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1064000 757.0948 2069.4492 1908.3030 106.9097 -206870.7496 18064.1389 0.0000 0.0000 34080.6841 -149884.1699 297.6351 -183964.8541 -149783.7037 297.7873 -20.3898 11.1806 557995.2471 2.3303 2.3741 PRESSURE: 1064200 -151.284 57.1474 -59.0703 57.1477 120.644 -117.018 -59.07 -117.016 -221.265 GPRESSURE: 1064200 -93.9062 106.355 -79.1035 45.3962 169.746 -139.386 -25.6217 -47.9003 -229.965 PRESSAVG: 1064200 -28.4894 -30.1332 -9.04414 -30.1332 20.3967 -18.426 -9.04413 -18.426 -27.2738 GPRESSAVG: 1064200 -29.0132 -32.4819 -8.10787 -30.5336 20.838 -16.3292 -10.895 -16.524 -27.209 TIMING: 1064200 CPU: 3197.83, 0.00305946/step Wall: 3197.83, 0.00305946/step, 3.34484 hours remaining, 208.882812 MB of memory in use. ENERGY: 1064200 759.3590 2053.3803 1892.6411 105.7170 -206629.0195 17986.5362 0.0000 0.0000 34173.9153 -149657.4705 298.4493 -183831.3858 -149555.3921 298.0926 -83.9687 -51.3752 556993.7087 -11.7888 -11.7947 LDB: ============= START OF LOAD BALANCING ============== 3201.35 LDB: ============== END OF LOAD BALANCING =============== 3201.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3201.35 LDB: ============= START OF LOAD BALANCING ============== 3201.66 LDB: Largest compute 4794 load 0.028244 is 24.0% of average load 0.117865 LDB: Average compute 0.001743 is 1.5% of average load 0.117865 LDB: TIME 3201.66 LOAD: AVG 0.117865 MAX 0.212719 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.996 MB LDB: TIME 3201.66 LOAD: AVG 0.117865 MAX 0.212719 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.039 MB LDB: TIME 3201.66 LOAD: AVG 0.117865 MAX 0.212719 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.039 MB LDB: ============== END OF LOAD BALANCING =============== 3201.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3201.67 PRESSURE: 1064400 -103.007 96.6377 70.6968 96.6364 -268.26 102.166 70.6963 102.167 123.53 GPRESSURE: 1064400 -57.3004 127.132 67.5299 3.90465 -192.41 49.6853 -4.92334 108.335 108.519 PRESSAVG: 1064400 36.1222 13.6772 26.8577 13.6772 -53.5537 18.6386 26.8577 18.6387 -12.2893 GPRESSAVG: 1064400 37.2968 14.9666 23.9146 14.4725 -53.8729 17.1704 28.3823 17.6348 -12.8707 TIMING: 1064400 CPU: 3198.45, 0.0030879/step Wall: 3198.45, 0.0030879/step, 3.37576 hours remaining, 208.410156 MB of memory in use. ENERGY: 1064400 772.0587 2104.9895 1921.1630 124.2143 -206360.0045 17819.8474 0.0000 0.0000 33970.0974 -149647.6342 296.6693 -183617.7315 -149553.4956 298.5909 -82.5788 -47.0637 556505.8819 -9.9069 -9.8156 PRESSURE: 1064600 209.96 -24.9445 21.5624 -24.9442 92.7086 -136.526 21.5623 -136.527 104.008 GPRESSURE: 1064600 281.813 -57.9537 11.823 7.0712 107.003 -199.972 -17.9663 -81.7502 120.912 PRESSAVG: 1064600 27.0645 1.85636 -5.12547 1.8563 14.6284 44.2617 -5.12549 44.2618 -1.5876 GPRESSAVG: 1064600 27.7812 1.21693 -3.09321 -0.954346 13.828 44.6808 -5.88887 42.8724 -1.8614 TIMING: 1064600 CPU: 3199.06, 0.00304461/step Wall: 3199.06, 0.00304461/step, 3.32826 hours remaining, 208.554688 MB of memory in use. ENERGY: 1064600 762.0216 2126.9319 1882.4501 110.9742 -206984.8118 18233.3166 0.0000 0.0000 34231.2075 -149637.9099 298.9496 -183869.1174 -149544.9033 297.8303 135.5588 169.9097 555235.9429 13.3684 13.2493 PRESSURE: 1064800 27.5159 134.776 56.0613 134.776 -88.4189 -18.855 56.0617 -18.8543 -256.241 GPRESSURE: 1064800 8.35036 216.809 88.5433 48.4012 -16.3836 56.2878 -8.60227 -33.1547 -218.095 PRESSAVG: 1064800 30.3629 -18.157 16.2919 -18.1569 -25.4872 0.177905 16.2919 0.177903 5.90829 GPRESSAVG: 1064800 28.8427 -18.5911 14.9477 -16.1248 -25.1081 0.908241 17.9861 1.34161 7.20574 TIMING: 1064800 CPU: 3199.67, 0.00304777/step Wall: 3199.67, 0.00304777/step, 3.33155 hours remaining, 208.554688 MB of memory in use. ENERGY: 1064800 800.2982 2107.4214 1930.2228 123.7647 -206482.3158 17773.2212 0.0000 0.0000 34125.1278 -149622.2597 298.0232 -183747.3875 -149526.3776 298.4941 -105.7146 -75.3760 557548.7855 3.5947 3.6468 PRESSURE: 1065000 30.7985 -50.2839 -1.5521 -50.2829 -78.6407 -84.7708 -1.55288 -84.7714 -44.4618 GPRESSURE: 1065000 58.2213 -67.4577 22.2754 -22.5178 -18.4544 -8.7724 -73.9061 -94.2604 -48.8226 PRESSAVG: 1065000 24.2213 17.053 0.965123 17.053 -44.3241 5.04941 0.965163 5.04944 5.23004 GPRESSAVG: 1065000 25.7017 18.4596 1.66769 17.4658 -44.954 4.35001 -0.28577 4.47437 3.96158 TIMING: 1065000 CPU: 3200.27, 0.00300252/step Wall: 3200.27, 0.00300252/step, 3.28193 hours remaining, 208.554688 MB of memory in use. ENERGY: 1065000 735.0319 2136.9547 1940.3285 109.1777 -206269.7958 17821.0509 0.0000 0.0000 33825.6710 -149701.5810 295.4080 -183527.2520 -149611.2686 298.5337 -30.7680 -3.0186 557292.5270 -4.9576 -5.0969 PRESSURE: 1065200 -81.4388 -42.1964 154.395 -42.1955 167.584 -65.9949 154.395 -65.9965 364.692 GPRESSURE: 1065200 -47.5213 -75.2356 159.51 -58.6142 170.396 -44.0259 164.823 -110.7 429.511 PRESSAVG: 1065200 -50.6153 -28.3707 13.8451 -28.3707 -5.19292 -16.5171 13.845 -16.5171 9.46044 GPRESSAVG: 1065200 -51.6916 -29.6048 14.4822 -28.124 -4.62546 -15.9673 12.406 -17.851 9.9513 TIMING: 1065200 CPU: 3200.87, 0.00301019/step Wall: 3200.87, 0.00301019/step, 3.29014 hours remaining, 208.554688 MB of memory in use. ENERGY: 1065200 712.7032 2062.1971 1948.4541 104.1795 -206988.8709 18092.7600 0.0000 0.0000 34185.2519 -149883.3251 298.5483 -184068.5770 -149792.5159 298.1009 150.2792 184.1285 556834.3685 -15.4493 -15.4553 PRESSURE: 1065400 -130.06 4.2651 69.6366 4.26407 -21.8236 124.085 69.6373 124.085 -18.911 GPRESSURE: 1065400 -45.1118 -29.9497 98.2607 9.14451 -24.1956 114.002 120.206 139.275 -6.97541 PRESSAVG: 1065400 -74.9312 7.67894 -62.1189 7.67888 1.8701 0.897736 -62.119 0.897676 12.1666 GPRESSAVG: 1065400 -75.3287 8.25424 -61.3427 7.69826 1.79076 -0.780009 -59.566 2.27956 11.7798 TIMING: 1065400 CPU: 3201.47, 0.00301316/step Wall: 3201.47, 0.00301316/step, 3.29321 hours remaining, 208.554688 MB of memory in use. ENERGY: 1065400 756.8489 2069.3732 1940.0514 110.7239 -207014.4303 17965.3626 0.0000 0.0000 34262.4590 -149909.6112 299.2226 -184172.0702 -149815.4100 298.1209 -56.9316 -25.4276 556472.3763 -20.2982 -20.5861 PRESSURE: 1065600 34.4194 -142.27 10.4359 -142.27 -99.2958 55.1229 10.435 55.1214 64.6337 GPRESSURE: 1065600 67.5867 -175.93 -5.07802 -161.413 -31.9024 79.075 -19.524 -5.94222 68.0053 PRESSAVG: 1065600 35.8693 12.9453 27.4345 12.9453 -31.7464 24.08 27.4344 24.0801 6.48805 GPRESSAVG: 1065600 36.0797 12.2647 26.3816 10.6325 -32.2396 24.3973 24.4478 24.1353 6.60871 TIMING: 1065600 CPU: 3202.08, 0.00301211/step Wall: 3202.08, 0.00301211/step, 3.2919 hours remaining, 208.554688 MB of memory in use. ENERGY: 1065600 741.6442 2088.9927 1931.5624 110.3841 -206814.6381 17991.7026 0.0000 0.0000 34030.8510 -149919.5012 297.1999 -183950.3522 -149817.9302 298.1861 -0.0809 34.5632 556516.1443 3.5370 3.4829 PRESSURE: 1065800 210.057 176.933 -125.809 176.933 -160.674 -197.057 -125.809 -197.057 -48.2351 GPRESSURE: 1065800 252.516 162.553 -102.9 255.137 -127.347 -137.445 -113.044 -192.545 -37.5177 PRESSAVG: 1065800 -18.45 10.9567 -37.5579 10.9566 -6.47958 -42.2652 -37.5579 -42.2651 41.2672 GPRESSAVG: 1065800 -19.2396 10.7296 -36.3926 13.1923 -5.91224 -42.3212 -36.5063 -42.4031 41.699 TIMING: 1065800 CPU: 3202.68, 0.00299763/step Wall: 3202.68, 0.00299763/step, 3.27591 hours remaining, 208.554688 MB of memory in use. ENERGY: 1065800 716.1988 2032.9564 1937.1978 111.9365 -206618.8504 17908.2554 0.0000 0.0000 34132.2079 -149780.0977 298.0851 -183912.3056 -149684.5967 297.1631 0.3826 29.2173 556692.0560 5.4459 5.5157 PRESSURE: 1066000 119.901 -24.4904 -17.0458 -24.4915 -203.829 17.3746 -17.0469 17.3757 223.195 GPRESSURE: 1066000 78.0265 84.399 38.8533 -10.4476 -121.288 75.5742 56.1831 -32.1771 279.92 PRESSAVG: 1066000 3.48193 42.6311 41.3018 42.6311 -5.343 -35.4797 41.3018 -35.4796 48.8847 GPRESSAVG: 1066000 5.3905 42.5578 40.0061 42.2293 -6.70595 -35.8061 41.6718 -36.0287 48.2872 TIMING: 1066000 CPU: 3203.28, 0.00301718/step Wall: 3203.28, 0.00301718/step, 3.2971 hours remaining, 208.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1066000 719.2041 2109.5209 1901.5669 108.7626 -206475.1794 18018.3920 0.0000 0.0000 34027.0012 -149590.7317 297.1663 -183617.7329 -149490.1436 298.1320 46.4224 78.8861 557964.3685 15.6745 15.6572 PRESSURE: 1066200 -7.58051 123.937 56.4397 123.938 -113.071 -273.112 56.4409 -273.112 71.6893 GPRESSURE: 1066200 13.2193 87.7771 70.6789 80.8698 -77.2892 -271.147 72.3923 -300.458 110.126 PRESSAVG: 1066200 -51.4243 24.418 8.09573 24.418 -7.98861 -49.9916 8.09561 -49.9916 70.7398 GPRESSAVG: 1066200 -51.4037 24.5453 7.61422 25.0532 -8.16766 -48.2395 6.97797 -49.404 71.2684 TIMING: 1066200 CPU: 3203.88, 0.00302444/step Wall: 3203.88, 0.00302444/step, 3.30488 hours remaining, 208.554688 MB of memory in use. ENERGY: 1066200 732.2278 2070.3884 1922.5036 119.6967 -206171.1254 17646.3629 0.0000 0.0000 34134.9998 -149544.9461 298.1094 -183679.9459 -149448.6460 298.0447 -16.3207 15.3520 557889.5133 3.7756 3.8990 PRESSURE: 1066400 64.2518 -33.1487 70.8226 -33.1484 82.3599 16.7579 70.8227 16.7585 -17.0775 GPRESSURE: 1066400 147.824 -95.2003 43.4237 -107.117 103.554 24.595 62.8131 0.67622 -30.1331 PRESSAVG: 1066400 81.9894 -12.87 1.41373 -12.87 -29.2322 -30.9594 1.41373 -30.9595 -98.5598 GPRESSAVG: 1066400 81.3438 -10.8297 2.60313 -15.0751 -28.8198 -30.9752 1.05153 -31.5144 -98.4198 TIMING: 1066400 CPU: 3204.49, 0.00302431/step Wall: 3204.49, 0.00302431/step, 3.30457 hours remaining, 208.554688 MB of memory in use. ENERGY: 1066400 761.8228 2098.9224 1915.0235 89.1577 -206419.3113 17921.0459 0.0000 0.0000 34159.7475 -149473.5914 298.3256 -183633.3390 -149377.6471 298.3187 43.1781 73.7483 556744.4421 -15.2675 -15.2986 PRESSURE: 1066600 -57.381 -30.9871 218.525 -30.9877 1.05224 114.589 218.524 114.589 71.1272 GPRESSURE: 1066600 34.7653 -64.8057 304.136 37.5246 21.2929 162.5 188.046 142.915 55.6932 PRESSAVG: 1066600 60.2363 14.6782 7.82905 14.6781 19.1297 -31.7141 7.82906 -31.7141 -32.8718 GPRESSAVG: 1066600 60.96 10.7173 6.87359 17.2889 19.2027 -33.0799 9.57052 -30.3611 -34.2875 TIMING: 1066600 CPU: 3205.09, 0.00299962/step Wall: 3205.09, 0.00299962/step, 3.27742 hours remaining, 208.554688 MB of memory in use. ENERGY: 1066600 719.5913 2067.4767 1902.0256 111.0981 -206542.3222 17991.6166 0.0000 0.0000 34406.7831 -149343.7309 300.4830 -183750.5140 -149246.3128 298.5819 4.9328 37.2505 555526.0476 15.4981 15.2918 PRESSURE: 1066800 -96.2526 -27.4008 117.99 -27.4001 -54.4091 -126.004 117.991 -126.005 38.7283 GPRESSURE: 1066800 45.2104 82.3063 100.906 -36.1909 -114.711 -121.024 54.7681 -24.7462 43.1741 PRESSAVG: 1066800 38.7921 -39.5469 93.8558 -39.547 -13.935 -9.59837 93.8557 -9.59855 -45.3693 GPRESSAVG: 1066800 38.5099 -36.0347 96.0358 -42.0345 -14.2952 -9.39673 92.0809 -10.9254 -44.2354 TIMING: 1066800 CPU: 3205.69, 0.00300393/step Wall: 3205.69, 0.00300393/step, 3.28196 hours remaining, 208.554688 MB of memory in use. ENERGY: 1066800 769.3123 2074.0506 1925.8358 126.7769 -206340.0637 17894.9936 0.0000 0.0000 34247.1256 -149301.9689 299.0887 -183549.0945 -149203.2379 299.4512 -37.3111 -8.7755 556798.1695 -6.8374 -6.6736 PRESSURE: 1067000 -131.484 -149.159 -146.87 -149.159 -256.303 -135.455 -146.867 -135.455 -360.148 GPRESSURE: 1067000 -101.131 -130.445 -312.38 -148.407 -223.548 -196.249 -81.6431 -133.172 -324.826 PRESSAVG: 1067000 6.66902 -24.6894 29.3893 -24.6893 55.8317 -6.54353 29.3894 -6.54368 -27.7101 GPRESSAVG: 1067000 6.11243 -26.3421 28.3127 -23.5325 56.8908 -6.83029 27.9974 -7.57434 -28.4573 TIMING: 1067000 CPU: 3206.29, 0.00302058/step Wall: 3206.29, 0.00302058/step, 3.29998 hours remaining, 208.554688 MB of memory in use. ENERGY: 1067000 716.0508 2034.7886 1924.3529 122.6846 -205620.8280 17362.2368 0.0000 0.0000 34348.4831 -149112.2311 299.9738 -183460.7142 -149019.7999 299.1300 -249.3113 -216.5019 557583.0278 11.5969 11.5153 PRESSURE: 1067200 -23.4508 117.166 -96.2427 117.166 128.368 168.82 -96.2418 168.822 -99.11 GPRESSURE: 1067200 14.8925 69.0368 -144.362 77.5387 149.342 139.015 -72.584 168.715 -62.3058 PRESSAVG: 1067200 12.9122 22.7079 -16.3849 22.7079 -43.892 1.5181 -16.385 1.51822 -16.1913 GPRESSAVG: 1067200 12.5049 21.5343 -16.5789 25.4108 -43.6434 0.49532 -12.8713 2.9897 -16.1299 TIMING: 1067200 CPU: 3206.89, 0.00299364/step Wall: 3206.89, 0.00299364/step, 3.27038 hours remaining, 208.554688 MB of memory in use. ENERGY: 1067200 755.1126 2104.4643 1887.7885 116.5232 -206317.1047 18019.7099 0.0000 0.0000 34216.6517 -149216.8544 298.8225 -183433.5061 -149118.8126 299.6192 1.9356 33.9761 557119.7564 -15.7237 -15.7561 PRESSURE: 1067400 -63.8562 -117.643 4.83626 -117.644 -240.199 127.381 4.83584 127.38 -221.696 GPRESSURE: 1067400 -62.0399 -128.064 90.8777 -94.8097 -200.215 82.2131 4.1632 145.201 -177.706 PRESSAVG: 1067400 45.2764 -4.83416 -54.0093 -4.83414 -52.8913 -1.43392 -54.0093 -1.4339 31.3609 GPRESSAVG: 1067400 43.9845 -3.10239 -54.7285 -5.50443 -52.8603 -1.55251 -53.4507 -3.14099 31.9918 TIMING: 1067400 CPU: 3207.5, 0.00301469/step Wall: 3207.5, 0.00301469/step, 3.29322 hours remaining, 208.554688 MB of memory in use. ENERGY: 1067400 769.6738 2084.6725 1931.1648 115.4356 -205825.8412 17414.5239 0.0000 0.0000 34158.5922 -149351.7783 298.3155 -183510.3705 -149263.4785 299.0405 -175.2503 -146.6535 557824.4429 7.9153 7.7054 PRESSURE: 1067600 79.8928 -33.7715 -25.4104 -33.7718 -299.644 1.90201 -25.4099 1.90098 -296.793 GPRESSURE: 1067600 67.7285 46.6871 0.565792 -112.669 -239.641 -20.4637 31.597 122.177 -255.595 PRESSAVG: 1067600 89.9988 5.67218 -1.11208 5.67215 -86.2935 52.218 -1.11206 52.218 48.0372 GPRESSAVG: 1067600 90.8343 6.41697 -1.66306 2.5817 -87.1689 53.2842 -0.93413 53.0103 48.1318 TIMING: 1067600 CPU: 3208.1, 0.00301856/step Wall: 3208.1, 0.00301856/step, 3.29728 hours remaining, 208.554688 MB of memory in use. ENERGY: 1067600 781.8093 2061.8671 1930.9377 112.0961 -206270.4075 17820.8917 0.0000 0.0000 34301.2828 -149261.5229 299.5616 -183562.8057 -149164.0875 298.9330 -172.1815 -142.5022 557051.8846 17.2475 17.2658 PRESSURE: 1067800 -9.03197 101.013 69.9829 101.014 82.2174 -134.148 69.983 -134.147 43.9392 GPRESSURE: 1067800 45.0177 95.64 47.4073 154.663 90.3194 -79.3796 98.8251 -125.826 57.8978 PRESSAVG: 1067800 78.8254 -38.7274 49.9628 -38.7273 -22.5569 -5.04056 49.9628 -5.04059 -1.59479 GPRESSAVG: 1067800 79.0821 -41.1725 51.4387 -36.0969 -22.6421 -3.89037 48.9858 -5.71721 -1.77342 TIMING: 1067800 CPU: 3208.7, 0.00302867/step Wall: 3208.7, 0.00302867/step, 3.30815 hours remaining, 208.554688 MB of memory in use. ENERGY: 1067800 758.4195 2047.9396 1918.4052 116.6199 -206136.5885 17764.0181 0.0000 0.0000 34290.0060 -149241.1801 299.4632 -183531.1862 -149147.0221 298.7933 39.0416 64.4116 555151.8702 18.2246 18.2222 PRESSURE: 1068000 -169.078 120.97 33.0892 120.972 24.4602 26.4039 33.0877 26.4032 -328.176 GPRESSURE: 1068000 -171.895 127.317 1.73633 179.298 45.7416 33.9299 44.5064 33.3175 -262.034 PRESSAVG: 1068000 15.5595 3.87665 -9.28118 3.87664 -0.101005 1.12498 -9.2812 1.12506 37.7702 GPRESSAVG: 1068000 16.2715 5.00478 -7.92809 3.57106 -0.203834 1.52547 -8.66565 1.43315 36.5675 TIMING: 1068000 CPU: 3209.31, 0.00303949/step Wall: 3209.31, 0.00303949/step, 3.3198 hours remaining, 208.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1068000 752.8118 2075.5765 1914.2213 105.0906 -205853.0338 17619.2912 0.0000 0.0000 34230.4102 -149155.6322 298.9427 -183386.0423 -149052.8177 299.6375 -157.5981 -129.3955 557457.5339 17.7429 17.5450 PRESSURE: 1068200 -170.697 -56.1114 -142.934 -56.1116 -205.272 63.0217 -142.933 63.0219 -41.5846 GPRESSURE: 1068200 -159.675 -65.9969 -127.984 -60.2966 -126.02 65.1021 -108.53 -10.8766 -33.4082 PRESSAVG: 1068200 30.6818 4.68261 -14.2005 4.68268 -52.1591 -4.86229 -14.2004 -4.86234 47.306 GPRESSAVG: 1068200 30.0159 6.84238 -16.0689 2.861 -52.0533 -5.9461 -14.086 -3.46063 47.4034 TIMING: 1068200 CPU: 3209.92, 0.00303832/step Wall: 3209.92, 0.00303832/step, 3.31835 hours remaining, 208.554688 MB of memory in use. ENERGY: 1068200 728.0909 2111.6565 1934.8744 122.9838 -205879.9406 17480.9710 0.0000 0.0000 34363.5992 -149137.7649 300.1059 -183501.3641 -149047.6172 299.5822 -139.1848 -106.3679 555920.8349 8.6096 8.4553 LDB: ============= START OF LOAD BALANCING ============== 3213.44 LDB: ============== END OF LOAD BALANCING =============== 3213.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3213.44 LDB: ============= START OF LOAD BALANCING ============== 3213.74 LDB: Largest compute 4794 load 0.027833 is 23.6% of average load 0.117891 LDB: Average compute 0.001742 is 1.5% of average load 0.117891 LDB: TIME 3213.74 LOAD: AVG 0.117891 MAX 0.207942 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.492 MB LDB: TIME 3213.74 LOAD: AVG 0.117891 MAX 0.207942 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.695 MB LDB: TIME 3213.74 LOAD: AVG 0.117891 MAX 0.207942 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.695 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3213.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3213.75 PRESSURE: 1068400 -155.648 111.855 55.9148 111.855 -134.329 70.3046 55.916 70.3051 -465.55 GPRESSURE: 1068400 -107.57 142.46 54.8665 118.778 -78.3224 46.9319 -36.9674 19.8276 -472.848 PRESSAVG: 1068400 28.8159 13.0551 -24.8217 13.0551 10.539 14.9482 -24.8218 14.9482 -42.4519 GPRESSAVG: 1068400 28.4748 14.935 -23.9245 12.6265 11.9896 14.6612 -25.3676 13.9126 -43.6079 TIMING: 1068400 CPU: 3210.53, 0.00305218/step Wall: 3210.53, 0.00305218/step, 3.33332 hours remaining, 207.589844 MB of memory in use. ENERGY: 1068400 787.5531 2108.8102 1932.2263 113.8697 -205782.7362 17388.1428 0.0000 0.0000 34475.0764 -148977.0577 301.0794 -183452.1341 -148878.1063 300.2186 -251.8425 -219.5801 558007.3269 -1.0323 -1.0478 PRESSURE: 1068600 -203.989 87.8467 119.857 87.8478 103.24 -10.4237 119.859 -10.4239 -72.7267 GPRESSURE: 1068600 -167.642 40.7027 124.918 54.8855 110.654 -8.213 87.9454 56.9145 -15.0116 PRESSAVG: 1068600 45.1605 2.29986 18.0271 2.29983 -21.9633 -13.6656 18.0272 -13.6656 -15.1805 GPRESSAVG: 1068600 45.1136 -1.03787 15.2346 1.52398 -23.4162 -12.0695 19.4918 -15.0553 -13.6825 TIMING: 1068600 CPU: 3211.13, 0.00299711/step Wall: 3211.13, 0.00299711/step, 3.27301 hours remaining, 207.589844 MB of memory in use. ENERGY: 1068600 774.5920 2062.9077 1916.4595 115.2892 -206154.7171 17729.6653 0.0000 0.0000 34276.3020 -149279.5013 299.3435 -183555.8033 -149179.8065 300.1230 -57.8251 -24.0000 555992.1160 2.6722 2.6716 PRESSURE: 1068800 -202.931 -56.993 -67.5289 -56.9929 -247.128 101.619 -67.5292 101.617 62.2345 GPRESSURE: 1068800 -176.62 -38.166 -79.6461 -82.9158 -228.002 85.9535 -26.4941 26.8009 117.071 PRESSAVG: 1068800 -37.355 37.6067 -74.2994 37.6066 -9.14987 8.38917 -74.2993 8.38917 59.2187 GPRESSAVG: 1068800 -37.5845 37.9097 -71.3593 40.0588 -9.2639 6.91186 -76.8351 10.8572 59.412 TIMING: 1068800 CPU: 3211.74, 0.00302573/step Wall: 3211.74, 0.00302573/step, 3.3041 hours remaining, 207.589844 MB of memory in use. ENERGY: 1068800 769.6669 2136.3949 1932.2330 107.9037 -206022.4079 17576.6456 0.0000 0.0000 34231.9499 -149267.6138 298.9561 -183499.5637 -149169.3343 299.7511 -129.2746 -95.8502 557192.2644 4.2379 4.1878 PRESSURE: 1069000 -71.3093 70.3133 -119.882 70.3132 -75.3849 95.1065 -119.883 95.1064 -206.128 GPRESSURE: 1069000 -40.9123 149.177 -45.7986 104.919 12.5682 229.578 -127.316 42.7822 -235.702 PRESSAVG: 1069000 -41.1932 31.9988 -16.189 31.9989 -36.2441 32.8276 -16.1889 32.8277 84.5822 GPRESSAVG: 1069000 -39.4827 31.832 -15.1871 32.584 -36.8363 34.3752 -17.119 33.8935 83.5398 TIMING: 1069000 CPU: 3212.34, 0.00301162/step Wall: 3212.34, 0.00301162/step, 3.28852 hours remaining, 207.589844 MB of memory in use. ENERGY: 1069000 730.3109 2091.8952 1914.1211 117.9104 -206037.4593 17575.8134 0.0000 0.0000 34330.5213 -149276.8869 299.8170 -183607.4082 -149179.1122 299.8169 -117.6073 -88.0153 557614.4302 2.3817 2.4069 PRESSURE: 1069200 34.0754 28.1323 73.6675 28.1324 -24.5451 -77.4743 73.6687 -77.4729 102.563 GPRESSURE: 1069200 96.0606 29.2623 114.86 -5.08697 2.312 -22.1271 33.2684 -8.77223 110.838 PRESSAVG: 1069200 5.98184 -36.6622 8.95337 -36.662 -16.9185 6.27392 8.95341 6.27383 -26.0899 GPRESSAVG: 1069200 5.89263 -37.4672 6.82426 -35.9152 -17.3314 5.5854 12.3414 4.76837 -26.1313 TIMING: 1069200 CPU: 3212.94, 0.00302071/step Wall: 3212.94, 0.00302071/step, 3.29828 hours remaining, 207.589844 MB of memory in use. ENERGY: 1069200 764.7715 2061.4326 1923.8998 121.0104 -206324.9173 17831.0520 0.0000 0.0000 34151.3466 -149471.4045 298.2522 -183622.7511 -149374.3212 298.1806 37.3644 69.7368 557202.4064 -12.3422 -12.5233 PRESSURE: 1069400 26.5276 -6.75342 -47.0455 -6.75175 -110.328 -120.282 -47.0452 -120.281 -157.879 GPRESSURE: 1069400 77.7511 -1.27207 -35.0406 -33.96 -91.5186 -87.2503 5.67356 -151.261 -122.945 PRESSAVG: 1069400 -6.28299 12.8091 -18.6303 12.8091 0.190327 -4.76262 -18.6303 -4.76263 13.6436 GPRESSAVG: 1069400 -6.9511 15.8271 -17.7061 10.2519 0.822786 -4.40049 -20.5067 -5.22558 13.4614 TIMING: 1069400 CPU: 3213.55, 0.00302405/step Wall: 3213.55, 0.00302405/step, 3.30176 hours remaining, 207.589844 MB of memory in use. ENERGY: 1069400 747.9120 2126.5165 1939.6176 113.0652 -206185.6743 17766.4628 0.0000 0.0000 34066.4273 -149425.6729 297.5106 -183492.1002 -149334.8991 298.4994 -80.5599 -45.5707 558614.4931 2.5170 2.4444 PRESSURE: 1069600 156.596 -20.3122 -87.8701 -20.312 320.928 -39.8951 -87.8699 -39.895 -7.06747 GPRESSURE: 1069600 136.588 -44.2924 -43.1486 54.5867 396.516 -30.2358 -132.401 -79.6191 32.9473 PRESSAVG: 1069600 -29.0634 -25.1244 -42.6779 -25.1245 15.8723 -40.6936 -42.678 -40.6937 -7.14577 GPRESSAVG: 1069600 -28.9455 -26.0106 -40.3394 -23.3169 16.5633 -42.7927 -43.0817 -39.9757 -8.36462 TIMING: 1069600 CPU: 3214.15, 0.00303655/step Wall: 3214.15, 0.00303655/step, 3.31523 hours remaining, 207.589844 MB of memory in use. ENERGY: 1069600 746.4665 2078.5281 1940.2154 101.7031 -206477.9953 18056.3263 0.0000 0.0000 34387.5092 -149167.2466 300.3147 -183554.7558 -149069.3236 298.7562 156.8188 188.6836 555820.0026 -6.7789 -6.9156 PRESSURE: 1069800 118.527 -151.959 -55.6535 -151.96 -113.412 -67.7431 -55.6526 -67.745 -40.7115 GPRESSURE: 1069800 185.816 -141.885 -96.4161 -161.432 -71.7473 -133.138 -2.49239 -73.2649 -61.2773 PRESSAVG: 1069800 45.4675 -29.6052 -57.3335 -29.6053 -37.2262 -30.8815 -57.3334 -30.8815 -7.7426 GPRESSAVG: 1069800 45.6298 -30.5408 -58.2251 -29.1701 -37.9407 -29.6533 -57.2707 -32.4861 -7.79128 TIMING: 1069800 CPU: 3214.75, 0.00300442/step Wall: 3214.75, 0.00300442/step, 3.27999 hours remaining, 207.589844 MB of memory in use. ENERGY: 1069800 728.2947 2106.9661 1941.4897 112.8513 -206316.9039 17902.5518 0.0000 0.0000 34255.9038 -149268.8464 299.1653 -183524.7502 -149170.6928 299.2291 -11.8656 17.5973 558993.8473 0.1662 -0.0341 PRESSURE: 1070000 -106.721 -150.514 16.1812 -150.514 -394.048 -27.4792 16.1821 -27.4795 -246.646 GPRESSURE: 1070000 -81.2455 -165.567 -94.782 -64.7772 -395.905 -36.221 -31.7434 -33.9804 -160.472 PRESSAVG: 1070000 50.8885 5.04814 -16.2808 5.04815 -26.8182 -77.4121 -16.2809 -77.4121 25.8037 GPRESSAVG: 1070000 51.1359 4.31081 -18.4386 4.52947 -27.5867 -79.1294 -15.295 -76.0293 26.4053 TIMING: 1070000 CPU: 3215.35, 0.002998/step Wall: 3215.35, 0.002998/step, 3.27281 hours remaining, 207.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1070000 760.4111 2125.2489 1925.9088 104.2192 -205863.3535 17394.4865 0.0000 0.0000 34272.9306 -149280.1485 299.3140 -183553.0791 -149181.4200 299.4314 -249.1383 -212.5408 557489.2380 16.6246 16.6515 PRESSURE: 1070200 -269.382 -54.0237 -141.075 -54.0227 146.758 -18.9508 -141.076 -18.9492 56.6398 GPRESSURE: 1070200 -239.592 -56.3798 -209.291 -45.796 173.802 71.2598 -112.401 -24.9185 95.3934 PRESSAVG: 1070200 -28.9398 31.7568 19.4566 31.7567 -1.62748 -17.1435 19.4565 -17.1435 9.80203 GPRESSAVG: 1070200 -29.1549 33.3205 23.5746 30.6639 -0.774331 -15.5595 15.8944 -18.6625 8.68806 TIMING: 1070200 CPU: 3215.95, 0.00300381/step Wall: 3215.95, 0.00300381/step, 3.27899 hours remaining, 207.589844 MB of memory in use. ENERGY: 1070200 781.6193 2064.9221 1961.3689 121.8001 -206220.7302 17873.7327 0.0000 0.0000 34185.8010 -149231.4861 298.5531 -183417.2872 -149140.8623 300.0179 -21.9950 9.8676 557625.5682 -6.9218 -7.0804 PRESSURE: 1070400 -115.308 54.243 8.56038 54.2428 -45.2857 168.883 8.56028 168.884 11.3328 GPRESSURE: 1070400 -66.1473 70.5766 -18.2523 82.1872 -13.6518 242.11 -43.2263 213.129 36.8908 PRESSAVG: 1070400 65.1711 34.9025 -7.03015 34.9025 52.0537 -49.5358 -7.03025 -49.5359 -78.9434 GPRESSAVG: 1070400 65.3049 33.429 -9.7277 36.1822 50.861 -49.7541 -5.10123 -48.7687 -77.9435 TIMING: 1070400 CPU: 3216.56, 0.00303131/step Wall: 3216.56, 0.00303131/step, 3.30885 hours remaining, 207.589844 MB of memory in use. ENERGY: 1070400 732.5800 2062.2890 1923.1550 118.2593 -206167.5474 17660.0860 0.0000 0.0000 34360.7680 -149310.4101 300.0811 -183671.1781 -149217.3217 299.6201 -49.7538 -14.3028 556665.1847 12.7605 12.7408 PRESSURE: 1070600 -119.533 28.8438 71.0805 28.844 -210.764 35.3989 71.0826 35.3977 -78.1912 GPRESSURE: 1070600 -74.399 61.2961 -5.22171 -18.564 -182.718 29.1871 -9.14738 65.6474 -64.0536 PRESSAVG: 1070600 17.6343 -5.37882 -20.6392 -5.37878 -27.2403 45.8893 -20.6392 45.8894 45.8571 GPRESSAVG: 1070600 16.6828 -3.46147 -19.664 -7.86572 -26.7565 44.029 -21.5939 47.5176 45.7472 TIMING: 1070600 CPU: 3217.16, 0.00301837/step Wall: 3217.16, 0.00301837/step, 3.29455 hours remaining, 207.589844 MB of memory in use. ENERGY: 1070600 773.1343 2074.9359 1944.0917 103.2424 -206203.1882 17748.7791 0.0000 0.0000 34275.4988 -149283.5061 299.3365 -183559.0048 -149185.9458 299.1848 -136.1629 -107.0569 557458.9887 12.0837 11.8912 PRESSURE: 1070800 102.592 -90.9586 -7.99385 -90.9594 21.8397 24.192 -7.99421 24.1911 95.9543 GPRESSURE: 1070800 122.136 -56.0405 8.78848 -137.344 15.2908 24.7546 -1.30233 38.0885 182.69 PRESSAVG: 1070800 19.7328 -1.87844 -52.5338 -1.87838 -30.5669 38.1558 -52.5338 38.1557 11.0678 GPRESSAVG: 1070800 20.3678 -2.58338 -52.5801 -3.93622 -29.8763 38.3126 -52.9717 36.2975 10.9118 TIMING: 1070800 CPU: 3217.78, 0.00305722/step Wall: 3217.78, 0.00305722/step, 3.33679 hours remaining, 207.589844 MB of memory in use. ENERGY: 1070800 733.9654 2091.5161 1950.3953 109.7187 -206232.5721 17882.5216 0.0000 0.0000 34164.6867 -149299.7684 298.3687 -183464.4551 -149209.6196 299.2936 73.4618 106.7058 555980.2840 0.0779 0.4678 PRESSURE: 1071000 -181.893 22.3137 56.0352 22.3136 7.32836 -140.445 56.0346 -140.445 51.0849 GPRESSURE: 1071000 -143.224 29.6881 136.858 1.20376 37.0708 -92.5881 -15.713 -160.763 70.6618 PRESSAVG: 1071000 -39.5171 18.6294 6.43984 18.6294 64.1254 -31.3183 6.43987 -31.3182 41.3906 GPRESSAVG: 1071000 -39.392 18.346 5.11946 21.7072 62.812 -30.2168 8.40556 -30.9172 42.857 TIMING: 1071000 CPU: 3218.39, 0.00304374/step Wall: 3218.39, 0.00304374/step, 3.3219 hours remaining, 207.589844 MB of memory in use. ENERGY: 1071000 739.6411 2095.7318 1914.8865 115.3537 -206191.4302 17760.9661 0.0000 0.0000 34144.5667 -149420.2844 298.1930 -183564.8511 -149329.0011 299.1241 -41.1601 -11.8304 556866.1618 21.9997 22.0923 PRESSURE: 1071200 -141.887 -39.9215 86.8068 -39.9217 -100.771 102.688 86.8064 102.687 -26.3897 GPRESSURE: 1071200 -113.189 42.3246 11.0442 -83.2561 -92.4499 89.183 138.722 100.831 45.5188 PRESSAVG: 1071200 -88.9111 -33.3661 0.421134 -33.3662 -2.91745 -39.9329 0.421112 -39.9329 23.0424 GPRESSAVG: 1071200 -88.8129 -34.5658 0.687343 -33.1417 -2.28281 -40.5011 1.09735 -40.7525 21.8529 TIMING: 1071200 CPU: 3218.99, 0.00301049/step Wall: 3218.99, 0.00301049/step, 3.28545 hours remaining, 207.589844 MB of memory in use. ENERGY: 1071200 784.7001 2092.7765 1949.8548 119.0093 -206286.6240 17712.6018 0.0000 0.0000 34144.1075 -149483.5741 298.1890 -183627.6815 -149394.7447 299.4638 -89.6827 -53.3734 555388.6977 -22.9287 -23.0809 PRESSURE: 1071400 -238.712 -112.949 -38.0603 -112.949 -122.102 -68.3806 -38.0594 -68.3794 -281.207 GPRESSURE: 1071400 -146.453 -176.592 -36.092 -49.9444 -156.334 -38.0866 -68.4723 -102.408 -232.293 PRESSAVG: 1071400 -24.3833 37.1931 13.0692 37.1931 59.9122 40.2688 13.0692 40.2689 5.78887 GPRESSAVG: 1071400 -24.7782 39.7328 10.6533 37.9662 59.9771 39.1875 13.5344 42.5037 6.70466 TIMING: 1071400 CPU: 3219.59, 0.00300721/step Wall: 3219.59, 0.00300721/step, 3.2817 hours remaining, 207.589844 MB of memory in use. ENERGY: 1071400 752.9029 2064.3597 1928.8019 106.1303 -206071.8196 17539.2018 0.0000 0.0000 34037.2706 -149643.1524 297.2559 -183680.4230 -149545.9560 298.9214 -214.0072 -178.3597 557328.5746 13.7726 13.9678 PRESSURE: 1071600 112.509 -56.4168 -32.6329 -56.4164 -128.083 -23.5732 -32.6331 -23.5723 -77.1745 GPRESSURE: 1071600 153.642 -31.3791 20.1494 -153.301 -92.6777 -47.166 -31.5038 1.29936 -58.1327 PRESSAVG: 1071600 9.03151 25.1704 15.6017 25.1705 4.79863 16.7041 15.6017 16.704 -35.7486 GPRESSAVG: 1071600 9.13799 24.6156 18.0812 22.5445 4.51056 17.5737 14.9491 14.9088 -35.9216 TIMING: 1071600 CPU: 3220.19, 0.00302177/step Wall: 3220.19, 0.00302177/step, 3.29742 hours remaining, 207.589844 MB of memory in use. ENERGY: 1071600 721.1770 2144.9120 1951.2549 112.0517 -206400.1211 17692.7712 0.0000 0.0000 34279.2978 -149498.6564 299.3696 -183777.9542 -149404.9232 298.6106 -30.9159 0.9438 555955.5570 -7.3062 -7.4244 PRESSURE: 1071800 128.764 42.4208 13.4096 42.4211 8.6387 47.9864 13.4091 47.9869 -152.819 GPRESSURE: 1071800 173.485 -4.48171 -17.7696 66.7979 4.38465 -29.0878 -13.1152 87.4144 -94.6677 PRESSAVG: 1071800 11.8306 -14.101 14.5505 -14.1011 -30.4216 -17.2905 14.5505 -17.2905 5.00009 GPRESSAVG: 1071800 12.3996 -16.9603 13.0062 -11.1271 -31.2005 -17.4372 16.4076 -17.1925 5.68714 TIMING: 1071800 CPU: 3220.8, 0.00305103/step Wall: 3220.8, 0.00305103/step, 3.32919 hours remaining, 207.589844 MB of memory in use. ENERGY: 1071800 732.2940 2071.2629 1959.9179 112.9075 -206698.1584 17966.3588 0.0000 0.0000 34308.0373 -149547.3800 299.6206 -183855.4173 -149451.5935 298.5427 -5.1387 27.7339 557506.3957 -4.5303 -4.3713 PRESSURE: 1072000 -315.783 -65.1674 -128.796 -65.1668 127.684 2.37939 -128.797 2.37845 119.863 GPRESSURE: 1072000 -238.385 -34.1473 -172.87 -48.9476 137.521 36.4917 -41.8804 -20.0459 124.695 PRESSAVG: 1072000 -28.0692 -1.14971 -23.1966 -1.14979 -8.25949 -32.213 -23.1966 -32.2129 -16.3597 GPRESSAVG: 1072000 -29.6615 1.11235 -22.7069 -1.57775 -6.13727 -31.9509 -24.364 -30.0145 -16.6703 TIMING: 1072000 CPU: 3221.41, 0.00305274/step Wall: 3221.41, 0.00305274/step, 3.33088 hours remaining, 207.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1072000 767.7231 2083.7861 1922.1526 106.8075 -206575.1987 17920.3156 0.0000 0.0000 34247.1701 -149527.2437 299.0891 -183774.4138 -149439.0530 298.0859 -22.7454 7.9435 557725.1631 -17.5628 -17.4897 PRESSURE: 1072200 146.34 46.8044 -11.6433 46.8045 -35.2683 64.8172 -11.6413 64.8185 70.9549 GPRESSURE: 1072200 186.885 115.006 -8.87991 1.49841 24.5883 90.8196 13.4747 22.9669 55.316 PRESSAVG: 1072200 -95.4688 -2.86041 -23.5162 -2.86046 17.7514 -15.0302 -23.5163 -15.0304 93.9223 GPRESSAVG: 1072200 -93.8444 -1.83142 -23.3502 -2.93424 17.7789 -16.3871 -22.3325 -17.4956 92.2127 TIMING: 1072200 CPU: 3222.02, 0.00304991/step Wall: 3222.02, 0.00304991/step, 3.32762 hours remaining, 207.589844 MB of memory in use. ENERGY: 1072200 749.7085 2060.5544 1913.7743 105.8431 -206680.1729 18092.0418 0.0000 0.0000 34136.0665 -149622.1843 298.1188 -183758.2508 -149528.8165 297.9707 60.6754 88.9297 559213.1178 5.4016 5.3824 LDB: ============= START OF LOAD BALANCING ============== 3225.55 LDB: ============== END OF LOAD BALANCING =============== 3225.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3225.55 LDB: ============= START OF LOAD BALANCING ============== 3225.85 LDB: Largest compute 4794 load 0.027925 is 23.7% of average load 0.117891 LDB: Average compute 0.001747 is 1.5% of average load 0.117891 LDB: TIME 3225.85 LOAD: AVG 0.117891 MAX 0.209183 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.566 MB LDB: TIME 3225.85 LOAD: AVG 0.117891 MAX 0.209183 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.801 MB LDB: TIME 3225.85 LOAD: AVG 0.117891 MAX 0.209183 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.801 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3225.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3225.86 PRESSURE: 1072400 -264.77 -161.03 -94.1402 -161.031 -4.74845 52.1398 -94.1412 52.1399 -67.7852 GPRESSURE: 1072400 -218.466 -213.848 -136.1 -106.929 46.3245 150.783 -71.5857 -28.0252 -68.3662 PRESSAVG: 1072400 -40.1242 -47.9322 -17.024 -47.9322 -12.4793 -25.2117 -17.0239 -25.2118 33.1476 GPRESSAVG: 1072400 -40.9893 -49.0702 -15.3015 -47.2479 -12.5357 -23.8409 -20.0588 -25.2383 33.8902 TIMING: 1072400 CPU: 3222.64, 0.00308111/step Wall: 3222.64, 0.00308111/step, 3.36149 hours remaining, 208.421875 MB of memory in use. ENERGY: 1072400 754.9461 2058.7143 1934.0668 97.2712 -206693.9523 17950.7832 0.0000 0.0000 34070.2568 -149827.9139 297.5440 -183898.1707 -149731.1818 298.0123 -112.4345 -80.1694 558765.9421 -6.4853 -6.5449 PRESSURE: 1072600 -96.4255 151.786 -143.014 151.786 155.533 -57.104 -143.013 -57.1057 -276.774 GPRESSURE: 1072600 -65.3957 138.511 -35.1419 204.974 165.374 -138.037 -181.713 62.8229 -202.564 PRESSAVG: 1072600 -66.2205 8.4594 -16.815 8.45932 77.577 66.4989 -16.815 66.4989 -8.23936 GPRESSAVG: 1072600 -66.9006 7.58153 -19.7786 7.051 77.9983 64.7175 -14.7038 68.8609 -8.23961 TIMING: 1072600 CPU: 3223.24, 0.00302513/step Wall: 3223.24, 0.00302513/step, 3.30025 hours remaining, 208.625000 MB of memory in use. ENERGY: 1072600 769.3614 2067.1664 1938.4511 116.1474 -206889.6037 17972.7040 0.0000 0.0000 34250.4940 -149775.2795 299.1181 -184025.7735 -149675.7868 297.9780 -72.5557 -34.1951 557010.5718 1.0391 0.9527 PRESSURE: 1072800 10.6322 90.6795 50.8339 90.6794 145.293 -1.8895 50.8332 -1.88781 419.066 GPRESSURE: 1072800 26.4204 38.0479 45.0691 70.2502 205.919 23.9634 67.0226 -66.2279 447.044 PRESSAVG: 1072800 -7.09465 59.6935 -20.3609 59.6936 41.0407 -9.74989 -20.361 -9.75007 -30.0237 GPRESSAVG: 1072800 -7.34545 59.6754 -17.8614 61.1231 40.2405 -8.44789 -21.9613 -12.713 -29.2248 TIMING: 1072800 CPU: 3223.85, 0.00304061/step Wall: 3223.85, 0.00304061/step, 3.31697 hours remaining, 208.625000 MB of memory in use. ENERGY: 1072800 750.4938 2116.1099 1954.7607 130.9591 -206876.4370 18212.4373 0.0000 0.0000 33980.3490 -149731.3271 296.7588 -183711.6761 -149636.5267 298.3891 191.6637 226.4611 556994.9929 1.3075 1.2234 PRESSURE: 1073000 -275.611 -56.3086 -37.4441 -56.307 -136.262 202.153 -37.4431 202.153 30.1067 GPRESSURE: 1073000 -169.977 -96.7299 -20.3602 41.8319 -158.513 77.2129 -43.5838 207.148 47.0812 PRESSAVG: 1073000 -27.3587 -17.7117 27.4421 -17.7116 21.3686 11.6112 27.4421 11.6111 15.8375 GPRESSAVG: 1073000 -26.6809 -15.7853 27.8923 -18.4901 22.8868 11.6126 27.3344 11.5286 13.9774 TIMING: 1073000 CPU: 3224.46, 0.00303506/step Wall: 3224.46, 0.00303506/step, 3.31075 hours remaining, 208.625000 MB of memory in use. ENERGY: 1073000 744.6356 2048.4328 1939.4718 117.0184 -206505.8326 17813.8375 0.0000 0.0000 34283.2602 -149559.1763 299.4042 -183842.4365 -149452.1102 297.9258 -127.2552 -93.8028 558442.2613 3.2824 3.3944 PRESSURE: 1073200 -195.855 95.3904 -157.483 95.3908 -232.198 -55.3254 -157.483 -55.3265 -129.354 GPRESSURE: 1073200 -122.856 44.228 -108.471 144.637 -220.791 -40.2455 -240.468 -58.0427 -114.584 PRESSAVG: 1073200 30.0235 37.8307 -35.6249 37.8307 -65.2659 -47.4917 -35.6248 -47.4918 6.32446 GPRESSAVG: 1073200 29.717 38.9025 -36.9107 34.5511 -66.6999 -48.0157 -34.071 -47.2553 7.8313 TIMING: 1073200 CPU: 3225.06, 0.00302153/step Wall: 3225.06, 0.00302153/step, 3.29582 hours remaining, 208.625000 MB of memory in use. ENERGY: 1073200 743.5510 2138.6277 1930.4400 119.3868 -206121.5156 17636.0331 0.0000 0.0000 34108.5371 -149444.9401 297.8783 -183553.4771 -149354.6705 298.6400 -185.8023 -152.7439 558118.4914 -9.6393 -9.7172 PRESSURE: 1073400 -87.8957 -2.49973 66.9842 -2.50109 -309.93 40.3088 66.9845 40.3088 -99.346 GPRESSURE: 1073400 -26.8478 -5.30509 113.266 0.395116 -291.316 51.1613 86.9668 41.083 -70.909 PRESSAVG: 1073400 40.3527 37.9012 7.19538 37.9012 -56.2569 -36.9391 7.19531 -36.9391 -38.0044 GPRESSAVG: 1073400 40.6552 37.3554 8.23372 39.4472 -55.3943 -36.4867 6.33689 -37.7077 -38.9321 TIMING: 1073400 CPU: 3225.67, 0.003005/step Wall: 3225.67, 0.003005/step, 3.27762 hours remaining, 208.625000 MB of memory in use. ENERGY: 1073400 719.4630 2070.2185 1906.1463 112.2100 -206096.2297 17649.6803 0.0000 0.0000 34238.8320 -149399.6796 299.0162 -183638.5116 -149298.4385 299.5677 -165.7238 -129.6909 558349.4998 -17.9695 -17.8904 PRESSURE: 1073600 37.2153 -24.736 -67.5248 -24.7353 163.763 -111.409 -67.5257 -111.408 127.141 GPRESSURE: 1073600 70.8422 41.0645 -2.08756 -140.687 175.795 -120.957 -114.658 -37.755 174.799 PRESSAVG: 1073600 38.7251 -19.8349 89.2581 -19.8349 5.49218 -19.3727 89.2581 -19.3727 40.708 GPRESSAVG: 1073600 38.8979 -19.2142 88.1223 -18.8182 5.14669 -21.2633 89.8042 -17.162 40.7649 TIMING: 1073600 CPU: 3226.27, 0.00302119/step Wall: 3226.27, 0.00302119/step, 3.29511 hours remaining, 208.625000 MB of memory in use. ENERGY: 1073600 741.0884 2102.2522 1934.6009 108.5441 -206459.5635 18123.6278 0.0000 0.0000 34118.2937 -149331.1565 297.9635 -183449.4503 -149235.6759 298.5241 109.3731 140.4787 558034.6761 28.3084 28.2698 PRESSURE: 1073800 73.8531 99.1641 3.81863 99.1636 -95.11 -166.179 3.8198 -166.178 -125.717 GPRESSURE: 1073800 92.4151 22.7643 -77.411 104.269 -44.4084 -102.053 57.5419 -191.813 -100.924 PRESSAVG: 1073800 -27.6915 -31.7195 -23.1995 -31.7196 11.5477 -18.6014 -23.1994 -18.6013 18.4125 GPRESSAVG: 1073800 -28.5908 -34.105 -23.5017 -30.1577 11.8673 -17.8813 -22.0862 -19.8747 19.2437 TIMING: 1073800 CPU: 3226.87, 0.00302573/step Wall: 3226.87, 0.00302573/step, 3.2999 hours remaining, 208.625000 MB of memory in use. ENERGY: 1073800 751.6507 2100.9310 1905.1420 128.5374 -206047.0295 17762.0925 0.0000 0.0000 34268.6576 -149130.0184 299.2767 -183398.6760 -149041.0973 299.2790 -48.9915 -17.6390 558537.6894 0.7563 0.8401 PRESSURE: 1074000 -283.935 65.508 -50.1103 65.51 -91.7754 141.411 -50.1085 141.411 -150.055 GPRESSURE: 1074000 -213.587 -30.4936 -87.8089 216.377 -21.4371 163.703 -26.7506 129.371 -181.146 PRESSAVG: 1074000 29.969 -28.2732 -15.5056 -28.2731 -11.8805 -1.59796 -15.5056 -1.59783 -9.49555 GPRESSAVG: 1074000 28.9265 -27.6226 -16.111 -30.2575 -11.1552 -2.90592 -15.9445 -0.739353 -8.36167 TIMING: 1074000 CPU: 3227.47, 0.00299591/step Wall: 3227.47, 0.00299591/step, 3.26721 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: 1074000 729.9059 2061.4022 1899.1074 119.5440 -205517.1933 17352.7703 0.0000 0.0000 34319.4059 -149035.0576 299.7199 -183354.4635 -148934.3681 299.9032 -175.2554 -138.7233 557227.8147 2.8643 3.1365 PRESSURE: 1074200 -70.0282 -104.532 209.437 -104.533 137.395 -100.61 209.437 -100.609 3.27098 GPRESSURE: 1074200 29.3744 -87.4954 185.774 -157.432 125.604 -53.5571 234.544 -54.267 1.99644 PRESSAVG: 1074200 -12.7404 -79.4235 11.6304 -79.4235 29.1427 -51.757 11.6304 -51.757 -37.6555 GPRESSAVG: 1074200 -10.9814 -77.938 13.2441 -78.7119 28.5687 -51.321 9.73616 -52.4114 -38.3032 TIMING: 1074200 CPU: 3228.07, 0.00299862/step Wall: 3228.07, 0.00299862/step, 3.26999 hours remaining, 208.625000 MB of memory in use. ENERGY: 1074200 734.9787 2074.5529 1898.6800 105.7137 -206217.7859 17787.5274 0.0000 0.0000 34459.0997 -149157.2335 300.9399 -183616.3332 -149056.8022 298.7659 23.5458 52.3248 557060.6790 -7.0844 -6.9053 PRESSURE: 1074400 -88.7299 15.6061 -94.548 15.6061 -257.025 99.7147 -94.5487 99.715 45.2385 GPRESSURE: 1074400 -88.0768 21.9495 -163.358 24.3818 -190.274 76.4574 -35.3647 132.785 85.9651 PRESSAVG: 1074400 -8.03862 10.5931 54.1051 10.5932 1.28526 15.1074 54.1052 15.1074 20.1577 GPRESSAVG: 1074400 -7.07254 8.96146 54.2805 10.7189 0.0423398 16.4253 54.4952 13.8273 20.4795 TIMING: 1074400 CPU: 3228.67, 0.0030011/step Wall: 3228.67, 0.0030011/step, 3.27253 hours remaining, 208.625000 MB of memory in use. ENERGY: 1074400 740.9838 2088.0595 1906.0329 108.2888 -205913.7654 17625.8014 0.0000 0.0000 34334.8171 -149109.7817 299.8545 -183444.5988 -149012.7794 299.7761 -100.1722 -64.1286 558041.3125 4.4681 4.4831 PRESSURE: 1074600 -118.404 -62.2519 -10.3683 -62.2514 174.791 -84.6591 -10.3677 -84.6587 -62.8726 GPRESSURE: 1074600 -5.9378 -86.2261 -34.0722 -10.3106 162.68 69.6489 -84.1063 -163.219 -77.3744 PRESSAVG: 1074600 8.62299 32.5885 -22.0542 32.5885 18.5394 45.6094 -22.0542 45.6095 -18.1843 GPRESSAVG: 1074600 8.61186 32.181 -21.6232 34.6818 19.1019 47.6379 -23.1138 44.9147 -18.7226 TIMING: 1074600 CPU: 3229.27, 0.00299388/step Wall: 3229.27, 0.00299388/step, 3.26449 hours remaining, 208.625000 MB of memory in use. ENERGY: 1074600 730.9821 2074.3348 1929.3842 113.9924 -206482.4975 17822.4928 0.0000 0.0000 34697.8274 -149113.4837 303.0248 -183811.3111 -149013.6021 299.7133 -2.1620 26.4559 556800.7354 2.9927 2.9970 PRESSURE: 1074800 -96.5701 -89.8932 48.862 -89.8921 376.796 117.223 48.8621 117.223 175.869 GPRESSURE: 1074800 -32.1905 -78.7774 45.9356 -192.557 359.087 109.566 5.61571 136.734 215.4 PRESSAVG: 1074800 26.5817 3.16549 40.7009 3.16564 -3.66648 30.7113 40.7008 30.7113 -42.749 GPRESSAVG: 1074800 25.6794 3.90779 38.482 0.577387 -3.17344 25.6627 43.6551 34.7815 -42.5956 TIMING: 1074800 CPU: 3229.87, 0.0030021/step Wall: 3229.87, 0.0030021/step, 3.27329 hours remaining, 208.625000 MB of memory in use. ENERGY: 1074800 727.2040 2080.7521 1930.3435 114.9312 -206380.8117 17927.7437 0.0000 0.0000 34407.9131 -149191.9241 300.4929 -183599.8372 -149093.2232 299.4762 152.0316 180.7657 556943.4948 -6.6113 -6.6965 PRESSURE: 1075000 -66.4115 77.2775 -122.885 77.2783 -238.279 -54.4903 -122.885 -54.4896 -149.766 GPRESSURE: 1075000 -79.3724 34.5651 -105.811 114.864 -235.26 39.1098 -124.492 -110.97 -54.8119 PRESSAVG: 1075000 -25.8222 -0.467971 -21.6529 -0.467886 23.4311 24.7289 -21.6529 24.7289 -16.4642 GPRESSAVG: 1075000 -25.8423 -1.29297 -20.4211 0.364361 23.7016 27.5402 -24.2722 23.5993 -16.8123 TIMING: 1075000 CPU: 3230.47, 0.00299245/step Wall: 3230.47, 0.00299245/step, 3.2626 hours remaining, 208.625000 MB of memory in use. ENERGY: 1075000 738.5695 2106.2976 1923.4645 119.5580 -206389.8104 17831.1760 0.0000 0.0000 34462.8811 -149207.8637 300.9729 -183670.7448 -149110.5038 300.0108 -151.4855 -123.1481 557302.1162 -6.2851 -6.3177 PRESSURE: 1075200 -264.806 62.8847 -37.0443 62.8847 20.5165 -262.122 -37.0438 -262.122 269.901 GPRESSURE: 1075200 -246.343 117.691 -20.2056 75.983 4.37229 -283.093 -113.315 -240.176 362.985 PRESSAVG: 1075200 -61.9643 -13.8646 6.48743 -13.8645 33.8808 -43.6139 6.48738 -43.6138 86.4175 GPRESSAVG: 1075200 -62.662 -12.9618 6.19743 -15.2201 35.0307 -45.1892 8.45011 -42.5539 86.5206 TIMING: 1075200 CPU: 3231.06, 0.00296241/step Wall: 3231.06, 0.00296241/step, 3.22969 hours remaining, 208.625000 MB of memory in use. ENERGY: 1075200 760.0833 2096.1768 1920.4283 115.5376 -206057.9651 17671.5979 0.0000 0.0000 34178.9200 -149315.2212 298.4930 -183494.1412 -149212.0627 298.9888 8.5372 40.3381 557052.2923 19.4446 19.6298 PRESSURE: 1075400 -42.3514 -198.703 8.38518 -198.704 8.82986 145.101 8.38527 145.101 268.502 GPRESSURE: 1075400 44.1266 -137.821 79.2122 -176.105 11.7242 83.2766 2.15255 169.375 271.879 PRESSAVG: 1075400 -46.8555 -32.7697 8.38306 -32.7697 -26.1601 10.2418 8.38303 10.2417 92.8171 GPRESSAVG: 1075400 -47.1661 -35.0429 9.37048 -29.922 -26.7695 10.5091 6.53099 10.754 93.1176 TIMING: 1075400 CPU: 3231.66, 0.00297078/step Wall: 3231.66, 0.00297078/step, 3.23864 hours remaining, 208.625000 MB of memory in use. ENERGY: 1075400 712.7693 2096.7822 1946.2992 113.9366 -206392.9113 18075.6900 0.0000 0.0000 34240.0336 -149207.4003 299.0267 -183447.4339 -149104.9636 299.1475 78.3269 109.2433 558741.2701 6.6005 6.3940 PRESSURE: 1075600 -38.3719 17.315 18.4605 17.3152 -67.005 160.919 18.4606 160.92 -89.9442 GPRESSURE: 1075600 -69.091 63.6171 -13.6669 -17.158 -9.90269 81.0077 69.6902 231.141 -35.8604 PRESSAVG: 1075600 -9.10685 45.1798 8.12574 45.1797 -9.69505 38.8542 8.12578 38.8542 35.0286 GPRESSAVG: 1075600 -8.617 45.6248 4.91992 43.5608 -9.40206 38.7483 8.17082 36.7952 34.7422 TIMING: 1075600 CPU: 3232.26, 0.00298947/step Wall: 3232.26, 0.00298947/step, 3.25885 hours remaining, 208.625000 MB of memory in use. ENERGY: 1075600 743.6094 2035.6069 1933.8429 103.4478 -206049.9402 17718.2160 0.0000 0.0000 34118.6664 -149396.5509 297.9668 -183515.2173 -149294.6602 298.3701 -65.1070 -38.2847 558736.0141 5.4089 5.5744 PRESSURE: 1075800 -65.3486 -158.667 -12.6838 -158.666 -150.32 -91.9693 -12.6843 -91.97 -293.592 GPRESSURE: 1075800 -20.6276 -176.364 26.1036 -176.529 -154.752 -68.3573 -0.206885 -152.125 -228.676 PRESSAVG: 1075800 -40.9855 42.9277 -7.06452 42.9278 36.6702 19.1519 -7.06449 19.1518 -29.4746 GPRESSAVG: 1075800 -40.5256 44.9953 -4.75735 40.3874 35.2997 21.3722 -7.26214 19.9794 -28.5344 TIMING: 1075800 CPU: 3232.85, 0.00299455/step Wall: 3232.85, 0.00299455/step, 3.26423 hours remaining, 208.625000 MB of memory in use. ENERGY: 1075800 740.0898 2078.9114 1927.8600 105.7099 -205833.1083 17298.0452 0.0000 0.0000 34290.0921 -149392.4000 299.4639 -183682.4920 -149293.5793 298.7980 -169.7534 -134.6853 557480.2121 -11.2633 -11.2534 PRESSURE: 1076000 77.6349 -46.3032 -8.86481 -46.3043 1.81533 125.671 -8.86481 125.67 -236.741 GPRESSURE: 1076000 104.857 -15.7919 62.148 -92.5482 24.3048 116.737 -45.7964 129.069 -196.575 PRESSAVG: 1076000 -25.222 8.70961 -20.0284 8.7095 18.054 -5.28084 -20.0283 -5.28085 28.9932 GPRESSAVG: 1076000 -26.0123 8.70523 -21.9668 11.9862 19.4115 -6.29771 -18.4909 -5.05663 28.3967 TIMING: 1076000 CPU: 3233.45, 0.00296738/step Wall: 3233.45, 0.00296738/step, 3.23444 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: 1076000 725.0717 2112.6156 1916.2659 126.5390 -206320.0777 17728.7148 0.0000 0.0000 34167.5889 -149543.2818 298.3941 -183710.8707 -149452.0548 298.8735 -52.4301 -22.4711 555945.1066 7.2751 7.2653 PRESSURE: 1076200 -58.6201 85.7334 16.2881 85.7337 -363.162 -58.6067 16.2878 -58.6068 -77.1384 GPRESSURE: 1076200 -14.8039 27.4792 12.9401 156.375 -291.332 -81.5573 68.8916 -32.6938 -88.3433 PRESSAVG: 1076200 21.8261 -19.0909 -31.4269 -19.0908 53.1912 -1.69912 -31.427 -1.69901 4.91348 GPRESSAVG: 1076200 22.1045 -20.0256 -28.2905 -21.1425 52.0489 -2.09957 -34.1797 -2.07257 5.40099 TIMING: 1076200 CPU: 3234.04, 0.00295231/step Wall: 3234.04, 0.00295231/step, 3.21785 hours remaining, 208.625000 MB of memory in use. ENERGY: 1076200 771.0818 2085.1418 1926.6812 114.7337 -206199.5282 17546.0156 0.0000 0.0000 34213.5669 -149542.3072 298.7956 -183755.8741 -149446.5541 298.4456 -166.3069 -131.4929 557239.8255 26.6436 26.5181 LDB: ============= START OF LOAD BALANCING ============== 3237.55 LDB: ============== END OF LOAD BALANCING =============== 3237.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3237.55 LDB: ============= START OF LOAD BALANCING ============== 3237.85 LDB: Largest compute 4794 load 0.026649 is 22.6% of average load 0.117932 LDB: Average compute 0.001738 is 1.5% of average load 0.117932 LDB: TIME 3237.85 LOAD: AVG 0.117932 MAX 0.208557 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.629 MB LDB: TIME 3237.85 LOAD: AVG 0.117932 MAX 0.208557 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.629 MB LDB: TIME 3237.85 LOAD: AVG 0.117932 MAX 0.208557 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.629 MB LDB: ============== END OF LOAD BALANCING =============== 3237.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3237.86 PRESSURE: 1076400 42.6345 -288.689 -113.396 -288.691 247.034 -61.3267 -113.396 -61.327 113.378 GPRESSURE: 1076400 19.7414 -294.645 -3.17678 -300.174 293.739 -214.435 -202.476 62.9501 178.682 PRESSAVG: 1076400 49.7285 12.0971 -0.613271 12.0972 -47.3077 -9.09499 -0.613292 -9.09482 1.36593 GPRESSAVG: 1076400 50.1804 10.1772 -1.1227 15.421 -45.5704 -7.60643 1.1145 -9.17117 -0.0689454 TIMING: 1076400 CPU: 3234.64, 0.00302599/step Wall: 3234.64, 0.00302599/step, 3.298 hours remaining, 207.910156 MB of memory in use. ENERGY: 1076400 744.7111 2052.2394 1959.2529 116.7083 -206244.1658 17748.1909 0.0000 0.0000 34178.8783 -149444.1849 298.4926 -183623.0632 -149351.6016 298.7166 134.3487 164.0542 555103.2822 1.2622 1.5137 PRESSURE: 1076600 -16.5595 -67.2554 103.109 -67.256 -229.869 -46.7317 103.109 -46.7313 189.716 GPRESSURE: 1076600 77.0089 -42.3777 196.853 -87.9361 -159.642 -139.984 44.5307 -32.5712 121.966 PRESSAVG: 1076600 -11.869 -33.1171 -2.14483 -33.1171 4.36496 -37.7146 -2.14488 -37.7145 -2.40613 GPRESSAVG: 1076600 -11.8265 -32.5278 -4.13928 -35.2654 2.9723 -38.0844 -1.05777 -36.9566 -0.532292 TIMING: 1076600 CPU: 3235.24, 0.00296964/step Wall: 3235.24, 0.00296964/step, 3.23641 hours remaining, 208.113281 MB of memory in use. ENERGY: 1076600 750.1113 2051.5904 1933.9985 113.7083 -206108.7084 17771.5739 0.0000 0.0000 34021.4497 -149466.2763 297.1178 -183487.7260 -149367.6430 298.3831 -18.9040 13.1110 557796.7920 -3.3034 -3.1288 PRESSURE: 1076800 -103.521 -100.903 130.503 -100.904 -38.9239 -314.693 130.504 -314.692 -31.8229 GPRESSURE: 1076800 -123.227 -32.0185 191.972 -69.0443 72.9581 -378.325 10.0582 -282.941 -29.4951 PRESSAVG: 1076800 -50.5191 -28.0927 72.8564 -28.0926 -44.7174 -83.6816 72.8564 -83.6817 64.8556 GPRESSAVG: 1076800 -50.1601 -25.916 74.5761 -29.6762 -43.7503 -84.6445 69.0528 -81.0502 63.6272 TIMING: 1076800 CPU: 3235.84, 0.00301503/step Wall: 3235.84, 0.00301503/step, 3.28571 hours remaining, 208.113281 MB of memory in use. ENERGY: 1076800 730.6895 2093.3756 1982.3053 127.3712 -205993.4110 17602.9051 0.0000 0.0000 34168.1232 -149288.6412 298.3987 -183456.7644 -149198.1306 298.7610 -58.0894 -26.5879 556458.5996 -10.1270 -10.0944 PRESSURE: 1077000 -52.0182 271.01 21.0834 271.011 7.78192 -209.363 21.0826 -209.365 304.225 GPRESSURE: 1077000 14.4968 306.042 -1.86829 143.142 30.9959 -250.131 -3.5644 -166.476 313.621 PRESSAVG: 1077000 18.759 10.2128 30.5047 10.2128 -13.125 -32.8475 30.5047 -32.8476 21.3508 GPRESSAVG: 1077000 18.3656 9.72115 27.4547 10.1763 -12.7526 -32.2401 33.3683 -36.4155 21.7195 TIMING: 1077000 CPU: 3236.44, 0.00300444/step Wall: 3236.44, 0.00300444/step, 3.27401 hours remaining, 208.113281 MB of memory in use. ENERGY: 1077000 747.6451 2062.8080 1984.8806 119.4397 -206630.3852 17862.8215 0.0000 0.0000 34498.0335 -149354.7568 301.2799 -183852.7903 -149265.1027 298.8982 86.6628 119.7047 554349.0196 8.9949 9.1108 PRESSURE: 1077200 -168.139 6.1979 194.72 6.19798 12.9683 -150.549 194.718 -150.55 -13.3291 GPRESSURE: 1077200 -137.216 43.6039 217.195 -44.3596 36.623 -121.714 135.493 -92.3912 43.5699 PRESSAVG: 1077200 24.764 69.0311 -14.6815 69.0311 -26.1239 -106.859 -14.6815 -106.859 -25.6318 GPRESSAVG: 1077200 25.3275 67.8974 -12.1053 69.7345 -27.2813 -106.292 -16.3397 -106.469 -24.4441 TIMING: 1077200 CPU: 3237.04, 0.00300062/step Wall: 3237.04, 0.00300062/step, 3.26968 hours remaining, 208.113281 MB of memory in use. ENERGY: 1077200 728.0898 2116.6682 1918.3483 115.0812 -206331.9307 17729.1210 0.0000 0.0000 34316.1633 -149408.4591 299.6916 -183724.6223 -149311.2946 299.3677 -56.1667 -19.0077 555995.6153 -8.9972 -8.7993 PRESSURE: 1077400 335.364 -1.43562 -62.866 -1.43578 -124.195 14.4127 -62.8645 14.4133 -14.3837 GPRESSURE: 1077400 313.477 12.8012 -73.4474 -37.6633 -45.2317 -54.9306 -3.58382 -33.9438 29.2578 PRESSAVG: 1077400 60.6089 12.0429 45.2759 12.0429 38.7865 -34.8898 45.276 -34.8899 -54.1175 GPRESSAVG: 1077400 59.9742 13.988 44.9364 11.1452 40.7311 -33.8939 44.5742 -34.9453 -55.3053 TIMING: 1077400 CPU: 3237.64, 0.00297294/step Wall: 3237.64, 0.00297294/step, 3.23935 hours remaining, 208.113281 MB of memory in use. ENERGY: 1077400 715.0578 2098.8998 1947.2802 125.4303 -206837.9685 17969.8652 0.0000 0.0000 34460.3811 -149521.0542 300.9511 -183981.4353 -149425.0432 298.8584 65.5951 99.1678 555635.9281 15.0926 15.1334 PRESSURE: 1077600 215.282 -38.6504 84.6168 -38.6479 114.043 -214.533 84.6169 -214.534 153.653 GPRESSURE: 1077600 229.508 -49.2106 130.691 72.8049 161.573 -159.548 -18.0695 -270.239 194.863 PRESSAVG: 1077600 -22.6559 -47.6151 19.1136 -47.6152 -0.509056 -60.8771 19.1137 -60.8771 -8.44434 GPRESSAVG: 1077600 -21.1679 -48.5447 19.2537 -47.7245 -1.2394 -63.7019 19.4658 -59.6293 -8.95849 TIMING: 1077600 CPU: 3238.24, 0.00300361/step Wall: 3238.24, 0.00300361/step, 3.2726 hours remaining, 208.113281 MB of memory in use. ENERGY: 1077600 743.5718 2141.0252 1927.6788 114.7305 -206778.7737 18199.0277 0.0000 0.0000 34143.6111 -149509.1285 298.1846 -183652.7396 -149417.1316 298.5693 160.9927 195.3146 556219.1509 -10.5364 -10.4553 PRESSURE: 1077800 156.327 151.784 61.3183 151.783 87.0338 110.161 61.3184 110.161 126.684 GPRESSURE: 1077800 200.92 137.057 47.1522 167.468 81.4984 169.036 50.3024 75.7595 165.848 PRESSAVG: 1077800 37.3959 -13.6452 -5.58163 -13.6452 16.6931 -79.8231 -5.58168 -79.8232 -30.6062 GPRESSAVG: 1077800 36.2933 -14.7133 -8.50139 -13.5932 17.153 -77.2965 -2.95732 -79.6293 -30.1303 TIMING: 1077800 CPU: 3238.84, 0.00299471/step Wall: 3238.84, 0.00299471/step, 3.26273 hours remaining, 208.113281 MB of memory in use. ENERGY: 1077800 792.0329 2044.9888 1919.5025 111.7865 -206687.0899 18031.2067 0.0000 0.0000 34417.9224 -149369.6500 300.5803 -183787.5725 -149283.0517 298.8647 123.3485 149.4223 556388.7278 7.8276 7.7720 PRESSURE: 1078000 -149.044 164.088 -18.3709 164.089 -145.709 -57.7637 -18.3696 -57.7628 -113.264 GPRESSURE: 1078000 -81.7862 198.975 -5.54672 134.433 -151.733 -107.856 28.8407 -16.4994 -65.957 PRESSAVG: 1078000 47.1585 58.3984 22.4288 58.3984 -18.32 15.3776 22.4288 15.3775 -15.7538 GPRESSAVG: 1078000 46.1795 59.4609 25.9863 59.6634 -17.3329 16.6915 21.6536 14.2626 -16.3473 TIMING: 1078000 CPU: 3239.44, 0.00299606/step Wall: 3239.44, 0.00299606/step, 3.26404 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: 1078000 734.5999 2084.9904 1922.3995 109.4593 -206256.1934 17637.4489 0.0000 0.0000 34204.9040 -149562.3914 298.7199 -183767.2953 -149474.0303 298.4724 -136.0056 -99.8255 556518.6507 4.3616 4.1665 PRESSURE: 1078200 -243.326 119.13 178.595 119.128 -190.04 97.1542 178.595 97.1528 -59.8619 GPRESSURE: 1078200 -239.296 151.842 201.159 73.1835 -168.846 10.0532 182.809 166.371 13.9791 PRESSAVG: 1078200 0.83077 11.9746 44.8169 11.9746 30.4915 22.3616 44.8169 22.3617 -20.0509 GPRESSAVG: 1078200 1.00559 10.1373 42.0656 10.9281 29.905 17.8712 46.8457 24.3776 -19.773 TIMING: 1078200 CPU: 3240.03, 0.00298667/step Wall: 3240.03, 0.00298667/step, 3.25365 hours remaining, 208.113281 MB of memory in use. ENERGY: 1078200 717.9744 2125.0923 1956.2322 109.5029 -206263.7228 17585.7187 0.0000 0.0000 34115.4553 -149653.7470 297.9388 -183769.2023 -149555.5614 298.1820 -164.4091 -131.3876 556754.4239 3.7571 3.7125 PRESSURE: 1078400 -53.3493 127.881 -33.7896 127.882 2.21284 42.3996 -33.7894 42.3988 -15.0926 GPRESSURE: 1078400 63.5275 131.079 -56.3118 169.979 5.72511 33.4874 -58.4302 -16.9214 -32.2133 PRESSAVG: 1078400 21.8984 30.6935 1.31472 30.6935 35.1584 -17.937 1.31459 -17.937 11.3791 GPRESSAVG: 1078400 22.8217 31.6067 1.90029 31.2677 34.6067 -15.0375 -1.21602 -19.3887 10.4231 TIMING: 1078400 CPU: 3240.63, 0.00297227/step Wall: 3240.63, 0.00297227/step, 3.2378 hours remaining, 208.113281 MB of memory in use. ENERGY: 1078400 746.5249 2072.6726 1942.4016 116.8654 -206478.4288 17826.8572 0.0000 0.0000 34120.5546 -149652.5524 297.9833 -183773.1070 -149555.4647 297.8587 -22.0763 12.3464 556633.4223 22.8120 22.6172 PRESSURE: 1078600 70.1699 104.487 43.0791 104.486 135.923 103.635 43.0786 103.633 74.3168 GPRESSURE: 1078600 99.3309 148.075 76.2645 -20.269 176.444 131.434 38.8633 118.523 97.9823 PRESSAVG: 1078600 -37.1171 -18.9733 -11.6417 -18.9733 23.1297 -23.6621 -11.6419 -23.6622 20.6685 GPRESSAVG: 1078600 -37.594 -18.9662 -9.9863 -18.3845 23.5011 -22.127 -11.0724 -24.8621 21.3331 TIMING: 1078600 CPU: 3241.22, 0.00298143/step Wall: 3241.22, 0.00298143/step, 3.2476 hours remaining, 208.113281 MB of memory in use. ENERGY: 1078600 771.6447 2123.5869 1938.8671 122.5178 -206534.8418 17916.1402 0.0000 0.0000 34240.1171 -149421.9680 299.0275 -183662.0851 -149329.7177 298.5772 93.4699 124.5859 557156.6275 2.2270 2.4134 PRESSURE: 1078800 -384.286 110.581 -66.8991 110.58 -209.126 -62.7685 -66.8996 -62.768 -302.338 GPRESSURE: 1078800 -385.661 73.6978 -38.4485 152.5 -201.5 -138.235 -149.223 -3.22708 -217.372 PRESSAVG: 1078800 -4.63526 10.4704 18.811 10.4704 35.586 -43.6949 18.8109 -43.695 17.8091 GPRESSAVG: 1078800 -3.6648 10.4553 20.1499 10.6515 36.2981 -44.933 17.6267 -43.1735 17.0898 TIMING: 1078800 CPU: 3241.82, 0.00297581/step Wall: 3241.82, 0.00297581/step, 3.24132 hours remaining, 208.113281 MB of memory in use. ENERGY: 1078800 787.1641 2114.2187 1933.5298 105.7026 -206494.9806 17498.1647 0.0000 0.0000 34336.6478 -149719.5528 299.8705 -184056.2006 -149623.1477 298.9768 -298.5832 -268.1776 558575.6586 16.2533 16.5744 PRESSURE: 1079000 166.868 -2.91774 10.8239 -2.91814 -123.136 29.7182 10.8249 29.7175 127.834 GPRESSURE: 1079000 194.266 16.7772 16.5082 12.0899 -91.7244 47.2184 2.56679 4.68893 185.901 PRESSAVG: 1079000 11.8846 -47.7435 25.0131 -47.7435 4.94025 -16.551 25.0132 -16.551 -18.7804 GPRESSAVG: 1079000 12.0854 -46.5142 24.1397 -48.7768 4.24385 -15.1625 26.2994 -16.1926 -17.9938 TIMING: 1079000 CPU: 3242.42, 0.00298786/step Wall: 3242.42, 0.00298786/step, 3.25428 hours remaining, 208.113281 MB of memory in use. ENERGY: 1079000 753.8815 2077.8345 1921.4181 123.6991 -206810.8178 18050.4416 0.0000 0.0000 34093.7237 -149789.8193 297.7490 -183883.5431 -149700.8660 297.6541 57.1890 96.1476 557409.6412 -0.6519 -0.5549 PRESSURE: 1079200 85.4156 148.646 -216.291 148.645 -136.449 40.3445 -216.291 40.3423 185.671 GPRESSURE: 1079200 72.5511 89.5862 -198.228 145.899 -64.0726 112.676 -200.599 42.1703 223.089 PRESSAVG: 1079200 27.2196 22.4338 -30.5358 22.4338 -9.39054 30.5889 -30.5357 30.5888 -3.77053 GPRESSAVG: 1079200 26.6056 22.2727 -31.2515 22.7311 -8.0363 30.3689 -31.6589 29.7974 -4.57315 TIMING: 1079200 CPU: 3243.01, 0.00299213/step Wall: 3243.01, 0.00299213/step, 3.25877 hours remaining, 208.113281 MB of memory in use. ENERGY: 1079200 744.2980 2104.2683 1937.0131 117.9000 -206591.3648 17939.1609 0.0000 0.0000 34089.4217 -149659.3028 297.7114 -183748.7246 -149564.9199 297.8902 44.8791 77.1890 557857.4003 4.6862 4.6654 PRESSURE: 1079400 -78.4029 -66.5741 -59.1709 -66.5736 -239.921 15.0313 -59.1702 15.0314 -283.383 GPRESSURE: 1079400 -68.432 -97.6372 -105.821 -57.847 -223.701 33.3704 10.2817 -5.72617 -218.28 PRESSAVG: 1079400 6.37186 -24.5724 28.8367 -24.5724 -11.7235 18.188 28.8367 18.188 45.4007 GPRESSAVG: 1079400 5.74012 -24.4675 29.0176 -25.0184 -11.7782 16.5023 28.5164 21.1806 45.863 TIMING: 1079400 CPU: 3243.61, 0.00299313/step Wall: 3243.61, 0.00299313/step, 3.25969 hours remaining, 208.113281 MB of memory in use. ENERGY: 1079400 752.9296 2110.7932 1935.7062 112.1850 -206346.1015 17562.5022 0.0000 0.0000 34537.8259 -149334.1593 301.6274 -183871.9852 -149234.1608 298.4563 -200.5690 -170.1377 558188.9863 13.3497 13.2750 PRESSURE: 1079600 -160.056 43.8095 28.9428 43.8093 195.133 23.5816 28.9411 23.5816 -117.003 GPRESSURE: 1079600 -116.075 62.0088 23.089 77.6343 197.413 112.349 58.1402 33.3062 -63.3507 PRESSAVG: 1079600 27.0999 45.6708 -5.80403 45.6709 -12.2096 1.82017 -5.80398 1.82018 8.94495 GPRESSAVG: 1079600 28.0367 46.047 -8.64763 44.2921 -13.8985 3.04664 -2.93926 0.113067 9.60044 TIMING: 1079600 CPU: 3244.22, 0.00304166/step Wall: 3244.22, 0.00304166/step, 3.31237 hours remaining, 208.113281 MB of memory in use. ENERGY: 1079600 748.5358 2110.6802 1927.0665 109.5744 -206278.2449 17789.3795 0.0000 0.0000 34466.6198 -149126.3887 301.0056 -183593.0085 -149021.4006 299.5582 -27.3090 5.9957 557991.2380 7.9451 7.9129 PRESSURE: 1079800 -179.505 39.9776 133.692 39.9781 -58.9686 -28.1535 133.692 -28.154 103.082 GPRESSURE: 1079800 -166.239 -18.2022 221.13 93.1917 -40.1415 -102.602 117.076 6.64153 163.625 PRESSAVG: 1079800 -4.88967 17.653 46.2327 17.653 -20.1878 4.65151 46.2327 4.65152 4.43399 GPRESSAVG: 1079800 -5.31457 19.2694 48.6542 18.0297 -19.3945 3.74282 45.0254 6.01004 3.43497 TIMING: 1079800 CPU: 3244.82, 0.00299313/step Wall: 3244.82, 0.00299313/step, 3.25935 hours remaining, 208.113281 MB of memory in use. ENERGY: 1079800 742.6555 2080.5860 1938.7417 119.5816 -205771.5475 17597.7982 0.0000 0.0000 34260.3084 -149031.8761 299.2038 -183292.1845 -148938.5314 299.2134 -45.1305 -14.2518 558023.7471 -6.8812 -7.0914 PRESSURE: 1080000 287.139 -56.087 61.9852 -56.0861 -168.198 19.1499 61.9847 19.1501 293.828 GPRESSURE: 1080000 356.982 -65.8275 46.2887 -28.4211 -139.186 -46.6655 95.7 -19.5277 310.982 PRESSAVG: 1080000 11.3796 25.828 -46.3106 25.8279 -4.14689 -39.0059 -46.3106 -39.006 69.8535 GPRESSAVG: 1080000 11.7625 24.8034 -47.9393 26.5191 -3.83621 -36.9461 -45.3712 -39.607 68.9022 TIMING: 1080000 CPU: 3245.42, 0.00299903/step Wall: 3245.42, 0.00299903/step, 3.26561 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: 1080000 711.6565 2136.9122 1950.7560 118.3588 -206543.1693 18126.2982 0.0000 0.0000 34389.5999 -149109.5877 300.3329 -183499.1876 -149011.4500 300.2497 137.5894 176.2590 557628.7948 25.6954 25.6095 PRESSURE: 1080200 21.8535 3.31959 173.411 3.31976 -174.763 -126.084 173.413 -126.084 -157.227 GPRESSURE: 1080200 34.3072 15.3389 164.808 11.0881 -79.8097 -70.8062 181.4 -47.8483 -161.999 PRESSAVG: 1080200 3.34316 -47.2583 56.1417 -47.2582 2.53333 52.3394 56.1417 52.3395 -9.86282 GPRESSAVG: 1080200 3.67502 -50.0391 58.0017 -46.33 1.53721 50.9104 55.4728 51.7437 -9.49147 TIMING: 1080200 CPU: 3246.02, 0.00300153/step Wall: 3246.02, 0.00300153/step, 3.26817 hours remaining, 208.113281 MB of memory in use. ENERGY: 1080200 769.0357 2122.6385 1953.6441 118.6378 -206139.2641 17785.3265 0.0000 0.0000 34274.8706 -149115.1110 299.3310 -183389.9815 -149017.0318 299.2587 -103.3790 -69.1670 558840.5183 -1.3288 -1.4264 LDB: ============= START OF LOAD BALANCING ============== 3249.54 LDB: ============== END OF LOAD BALANCING =============== 3249.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3249.54 LDB: ============= START OF LOAD BALANCING ============== 3249.84 LDB: Largest compute 4794 load 0.026735 is 22.7% of average load 0.117882 LDB: Average compute 0.001740 is 1.5% of average load 0.117882 LDB: TIME 3249.84 LOAD: AVG 0.117882 MAX 0.210953 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.359 MB LDB: TIME 3249.84 LOAD: AVG 0.117882 MAX 0.210953 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: TIME 3249.84 LOAD: AVG 0.117882 MAX 0.210953 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3249.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3249.85 PRESSURE: 1080400 283.806 -14.0395 -58.0748 -14.0396 82.7545 -143.33 -58.0741 -143.33 -11.7701 GPRESSURE: 1080400 284.764 10.2897 30.6109 -50.8738 77.445 -160.27 -163.515 -105.972 104.313 PRESSAVG: 1080400 29.493 -33.2336 30.695 -33.2335 2.15812 -25.1624 30.6951 -25.1624 4.24378 GPRESSAVG: 1080400 28.7917 -31.1043 29.942 -34.6453 2.36036 -24.5709 30.2837 -24.717 4.07433 TIMING: 1080400 CPU: 3246.63, 0.00306582/step Wall: 3246.63, 0.00306582/step, 3.338 hours remaining, 208.992188 MB of memory in use. ENERGY: 1080400 758.4032 2084.6277 1926.3386 112.4396 -206393.7009 18064.4531 0.0000 0.0000 34263.1967 -149184.2420 299.2290 -183447.4387 -149085.6115 299.5397 118.2636 155.5074 557093.0266 11.9650 11.7421 PRESSURE: 1080600 -198.033 -156.501 -78.0456 -156.502 187.698 190.535 -78.0442 190.535 21.3496 GPRESSURE: 1080600 -154.82 -152.893 -216.784 -50.3067 192.822 95.8615 29.5042 254.927 70.1219 PRESSAVG: 1080600 39.6246 -59.693 -5.79348 -59.6931 -17.7859 -15.9564 -5.79342 -15.9564 14.881 GPRESSAVG: 1080600 38.6831 -60.4913 -7.09273 -56.2183 -18.6024 -17.0043 -4.08748 -15.4679 16.6151 TIMING: 1080600 CPU: 3247.23, 0.00299741/step Wall: 3247.23, 0.00299741/step, 3.26334 hours remaining, 208.992188 MB of memory in use. ENERGY: 1080600 810.6856 2109.9497 1934.8799 110.5018 -206525.3875 18112.2991 0.0000 0.0000 34275.7210 -149171.3502 299.3384 -183447.0712 -149072.5362 299.6072 3.6716 36.0410 558236.0981 12.2399 12.2319 PRESSURE: 1080800 144.766 -54.5535 95.5586 -54.5538 63.0062 217.465 95.5576 217.464 -128.753 GPRESSURE: 1080800 143.545 -91.2396 124.367 -73.4139 152.171 171.596 93.2311 225.654 -127.824 PRESSAVG: 1080800 -17.1476 42.9649 1.79322 42.9648 85.6039 58.5262 1.79322 58.5263 -34.5022 GPRESSAVG: 1080800 -16.5885 43.9593 3.72714 41.2517 86.5063 57.5572 0.564654 59.8404 -35.2738 TIMING: 1080800 CPU: 3247.84, 0.00301244/step Wall: 3247.84, 0.00301244/step, 3.27954 hours remaining, 208.992188 MB of memory in use. ENERGY: 1080800 756.7666 2092.6909 1922.9285 115.6655 -205884.3868 17744.0030 0.0000 0.0000 34176.2781 -149076.0541 298.4699 -183252.3322 -148976.7661 299.4082 26.3398 55.9642 557210.4792 11.3180 11.5480 PRESSURE: 1081000 212.727 -80.2887 140.337 -80.2895 -35.8297 -122.459 140.337 -122.459 138.678 GPRESSURE: 1081000 160.479 -139.63 40.2199 -84.8727 60.9495 -109.6 167.947 -152.292 177.338 PRESSAVG: 1081000 49.7666 -27.3735 21.2319 -27.3736 -18.7496 55.1692 21.232 55.1691 -34.3266 GPRESSAVG: 1081000 50.931 -27.7573 20.913 -27.3808 -19.2164 56.5324 20.3722 52.2302 -35.2971 TIMING: 1081000 CPU: 3248.44, 0.00303062/step Wall: 3248.44, 0.00303062/step, 3.29916 hours remaining, 208.992188 MB of memory in use. ENERGY: 1081000 748.9859 2083.7866 1939.7375 111.8599 -206036.9415 17788.6855 0.0000 0.0000 34446.8444 -148917.0416 300.8329 -183363.8860 -148828.4673 299.3840 105.1918 132.9222 556309.6205 -1.1032 -1.1942 PRESSURE: 1081200 -269.418 85.4956 -49.3583 85.4946 84.5193 -55.1511 -49.3577 -55.1505 -57.5245 GPRESSURE: 1081200 -166.774 13.4725 -114.036 81.6783 57.9332 -94.9265 -49.4986 79.7875 -45.564 PRESSAVG: 1081200 -21.3429 7.53801 -22.7815 7.53806 21.0321 -0.577816 -22.7815 -0.577682 -11.4379 GPRESSAVG: 1081200 -20.8437 7.93984 -21.9647 7.3358 21.3054 0.185145 -21.9617 -0.32803 -11.9912 TIMING: 1081200 CPU: 3249.05, 0.00304883/step Wall: 3249.05, 0.00304883/step, 3.31882 hours remaining, 208.992188 MB of memory in use. ENERGY: 1081200 807.5865 2085.6505 1916.0114 118.0046 -206328.8886 17875.5999 0.0000 0.0000 34687.2347 -148838.8010 302.9322 -183526.0356 -148738.0387 300.7122 -80.8078 -51.4681 557875.0290 -3.9162 -3.8432 PRESSURE: 1081400 17.6213 -34.7076 -44.441 -34.7086 119.311 -79.8988 -44.4408 -79.8997 190.962 GPRESSURE: 1081400 33.8028 133.84 0.127001 -102.051 166.079 -94.6427 -39.6213 -25.6181 244.14 PRESSAVG: 1081400 -14.2203 41.3502 29.8932 41.3503 41.9324 -1.25618 29.8931 -1.2564 -15.6666 GPRESSAVG: 1081400 -14.2085 42.5589 28.5981 40.1684 41.4008 -2.23894 32.2963 -1.51763 -14.791 TIMING: 1081400 CPU: 3249.65, 0.00299973/step Wall: 3249.65, 0.00299973/step, 3.2652 hours remaining, 208.992188 MB of memory in use. ENERGY: 1081400 769.4054 2134.8896 1934.3078 125.3444 -206395.8127 18066.5430 0.0000 0.0000 34471.6987 -148893.6238 301.0499 -183365.3225 -148801.6205 300.3436 109.2980 148.0075 556021.4775 4.0152 4.1338 PRESSURE: 1081600 -110.199 -169.566 -0.617937 -169.566 331.274 -22.0634 -0.617132 -22.0635 -21.8576 GPRESSURE: 1081600 -74.5901 -159.483 -33.2442 -199.332 368.488 15.5384 -45.4243 5.61826 6.60948 PRESSAVG: 1081600 -29.6584 -27.1046 -16.9548 -27.1045 41.4957 -3.48099 -16.9549 -3.48121 28.9544 GPRESSAVG: 1081600 -30.1379 -27.6968 -14.8439 -27.9474 42.6179 -4.32707 -21.4412 -1.11767 28.6743 TIMING: 1081600 CPU: 3250.25, 0.00298589/step Wall: 3250.25, 0.00298589/step, 3.24997 hours remaining, 208.992188 MB of memory in use. ENERGY: 1081600 762.3192 2111.0118 1948.6272 114.5889 -206302.5298 17738.3618 0.0000 0.0000 34544.1964 -149083.4245 301.6831 -183627.6210 -148987.0908 300.6008 66.4059 100.1691 553945.9048 13.5972 13.7181 PRESSURE: 1081800 280.909 141.125 9.85585 141.125 -17.7598 22.5603 9.85642 22.5601 -139.144 GPRESSURE: 1081800 344.44 103.668 12.5631 154.124 -8.29151 46.5242 32.344 48.3599 -117.572 PRESSAVG: 1081800 23.4877 9.63604 -16.846 9.63597 -39.3534 62.4473 -16.8459 62.4473 -8.46922 GPRESSAVG: 1081800 23.9224 10.3399 -19.2951 11.1932 -40.035 63.026 -15.675 61.3747 -7.97649 TIMING: 1081800 CPU: 3250.84, 0.00297503/step Wall: 3250.84, 0.00297503/step, 3.23799 hours remaining, 208.992188 MB of memory in use. ENERGY: 1081800 742.8132 2138.0951 1926.3499 121.4772 -206011.4238 17687.3171 0.0000 0.0000 34194.9718 -149200.3996 298.6332 -183395.3714 -149105.5252 300.1167 41.3352 72.8589 555735.7642 -8.1117 -8.0297 PRESSURE: 1082000 -213.741 48.1227 -60.2379 48.1233 22.2556 101.955 -60.2378 101.953 -92.7063 GPRESSURE: 1082000 -143.665 121.306 -81.9655 -59.5256 15.1773 88.542 -27.7287 113.784 -58.1424 PRESSAVG: 1082000 44.6645 34.624 -14.4441 34.6238 -57.7831 48.552 -14.4441 48.5519 53.6553 GPRESSAVG: 1082000 44.037 34.3563 -15.0672 35.7544 -57.0017 48.7306 -12.9476 47.642 53.8791 TIMING: 1082000 CPU: 3251.44, 0.00300245/step Wall: 3251.44, 0.00300245/step, 3.26767 hours remaining, 208.992188 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: 1082000 731.4613 2155.7936 1964.1504 104.3954 -205685.9237 17495.4015 0.0000 0.0000 34125.3696 -149109.3519 298.0253 -183234.7215 -149017.0385 299.8436 -94.7306 -62.2100 556705.8863 13.5122 13.6381 PRESSURE: 1082200 130.866 -25.8746 56.9493 -25.8732 -79.602 34.6893 56.949 34.6903 -46.9673 GPRESSURE: 1082200 141.852 -32.9243 51.013 59.7553 -16.7697 17.8978 28.8317 -4.77383 -32.7033 PRESSAVG: 1082200 -15.6591 -4.83615 -32.97 -4.83609 -82.9396 46.8623 -32.9701 46.8622 51.258 GPRESSAVG: 1082200 -14.5183 -7.50338 -31.0514 -4.86152 -84.5414 48.1147 -30.9446 45.2454 52.1749 TIMING: 1082200 CPU: 3252.05, 0.00300541/step Wall: 3252.05, 0.00300541/step, 3.27072 hours remaining, 208.992188 MB of memory in use. ENERGY: 1082200 758.4392 2124.9902 1973.7270 112.8174 -206139.2511 17796.2440 0.0000 0.0000 34338.0070 -149035.0263 299.8824 -183373.0333 -148937.3740 299.8527 1.4322 30.7929 556854.9305 -15.7802 -15.6283 PRESSURE: 1082400 -285.181 -305.644 214.439 -305.644 -182.946 74.7503 214.438 74.7497 -166.348 GPRESSURE: 1082400 -264.984 -362.247 224.48 -211.307 -120.075 118.633 264.913 21.37 -157.715 PRESSAVG: 1082400 1.29326 -83.2148 -17.3385 -83.2148 -28.2721 -23.1612 -17.3385 -23.1612 26.7219 GPRESSAVG: 1082400 2.24315 -80.2195 -15.6489 -85.1696 -28.082 -26.4656 -20.9829 -20.5753 25.7068 TIMING: 1082400 CPU: 3252.65, 0.00300325/step Wall: 3252.65, 0.00300325/step, 3.2682 hours remaining, 209.121094 MB of memory in use. ENERGY: 1082400 708.8568 2017.1454 1948.7553 123.9474 -205906.3330 17489.4275 0.0000 0.0000 34392.2713 -149225.9293 300.3563 -183618.2006 -149121.0152 299.5720 -211.4915 -180.9247 557273.7644 -0.0857 -0.0440 PRESSURE: 1082600 22.784 134.251 -86.0864 134.252 -32.183 -51.0271 -86.0874 -51.027 -140.374 GPRESSURE: 1082600 1.98182 121.389 -79.271 189.94 53.9977 -57.8684 -59.529 -78.5795 -103.847 PRESSAVG: 1082600 32.2234 -94.552 16.1319 -94.5519 50.4582 39.4262 16.1319 39.4263 -95.4971 GPRESSAVG: 1082600 31.4462 -95.6049 14.3882 -94.7285 51.1785 42.463 17.8946 38.5436 -95.5427 TIMING: 1082600 CPU: 3253.24, 0.00298034/step Wall: 3253.24, 0.00298034/step, 3.24311 hours remaining, 209.121094 MB of memory in use. ENERGY: 1082600 758.9723 2030.7211 1956.9366 113.1687 -206308.0407 17872.4241 0.0000 0.0000 34465.6766 -149110.1411 300.9973 -183575.8177 -149007.9786 299.2881 -49.9244 -15.9560 557392.6779 -4.2718 -4.3060 PRESSURE: 1082800 -135.088 -119.947 144.142 -119.946 -63.2375 -4.75914 144.142 -4.76016 64.2881 GPRESSURE: 1082800 -57.8338 -92.9826 126.653 -118.597 -7.02735 59.3187 140.836 18.5921 21.8366 PRESSAVG: 1082800 41.5073 -68.1992 26.9939 -68.1992 56.4388 61.0307 26.994 61.0306 -40.9195 GPRESSAVG: 1082800 43.0313 -70.7713 25.5804 -65.8845 55.2815 60.8517 27.5672 60.9792 -41.5693 TIMING: 1082800 CPU: 3253.84, 0.00299266/step Wall: 3253.84, 0.00299266/step, 3.25634 hours remaining, 209.265625 MB of memory in use. ENERGY: 1082800 726.8728 2069.8095 1940.3887 112.6375 -205722.9190 17569.8151 0.0000 0.0000 34263.4361 -149039.9594 299.2311 -183303.3955 -148946.5795 299.3998 -44.6792 -14.3415 557981.3686 19.0089 18.9145 PRESSURE: 1083000 69.8405 66.8205 52.9752 66.8195 140.242 -92.2896 52.975 -92.2885 -53.1881 GPRESSURE: 1083000 102.193 -6.81491 -43.7649 64.0289 144.331 -164.111 75.7724 -73.0348 9.55114 PRESSAVG: 1083000 33.9158 3.10658 1.57962 3.10647 -7.1986 -34.1609 1.57962 -34.1609 -19.3847 GPRESSAVG: 1083000 33.6858 3.72129 2.99102 4.40623 -5.77867 -36.8864 2.27603 -31.6229 -19.8659 TIMING: 1083000 CPU: 3254.44, 0.0029896/step Wall: 3254.44, 0.0029896/step, 3.25285 hours remaining, 209.265625 MB of memory in use. ENERGY: 1083000 756.1115 2034.4644 1918.7040 102.1017 -206193.9148 18018.8695 0.0000 0.0000 34248.0561 -149115.6077 299.0968 -183363.6638 -149031.2965 299.8344 52.2981 85.3584 557343.8804 2.4442 2.6804 PRESSURE: 1083200 56.9736 48.0378 64.0522 48.0378 -140.276 -36.1218 64.0512 -36.1223 -31.9806 GPRESSURE: 1083200 64.6976 36.7937 134.538 108.378 -133.878 -32.9644 99.5425 -85.1294 53.5491 PRESSAVG: 1083200 -5.29941 -18.4794 -69.4094 -18.4793 -40.7486 -15.0019 -69.4094 -15.0019 16.7609 GPRESSAVG: 1083200 -6.12993 -17.5108 -68.0351 -21.3859 -40.7641 -14.3186 -70.6131 -15.4663 17.6072 TIMING: 1083200 CPU: 3255.04, 0.00299279/step Wall: 3255.04, 0.00299279/step, 3.25616 hours remaining, 209.265625 MB of memory in use. ENERGY: 1083200 738.6533 2079.1515 1950.7626 112.1556 -205869.6165 17719.1862 0.0000 0.0000 34237.7466 -149031.9607 299.0068 -183269.7073 -148938.9740 300.0713 -38.4276 -5.2105 558610.4126 -9.7624 -9.7623 PRESSURE: 1083400 -60.7417 16.8004 40.7311 16.7993 -115.207 100.154 40.7307 100.155 -378.68 GPRESSURE: 1083400 -31.2978 -51.0761 66.1345 17.7155 -57.8047 109.239 -33.8132 86.8504 -364.317 PRESSAVG: 1083400 29.3445 -60.0735 13.3025 -60.0735 -25.0293 -46.8228 13.3025 -46.8229 -42.2267 GPRESSAVG: 1083400 31.0457 -59.3871 10.7363 -59.0457 -25.5859 -44.5988 12.4323 -49.4015 -43.3577 TIMING: 1083400 CPU: 3255.63, 0.00296501/step Wall: 3255.63, 0.00296501/step, 3.22577 hours remaining, 209.265625 MB of memory in use. ENERGY: 1083400 738.8391 2095.1645 1949.6250 127.5923 -205604.8739 17622.9863 0.0000 0.0000 34160.8504 -148909.8163 298.3352 -183070.6667 -148816.2031 300.0692 -184.8761 -151.1398 559668.0074 -12.6372 -12.6326 PRESSURE: 1083600 141.278 -1.35287 172.614 -1.35272 -165.372 76.2885 172.613 76.289 -108.774 GPRESSURE: 1083600 173.636 -60.5346 162.092 36.6378 -91.1689 20.7518 257.93 109.739 -107.703 PRESSAVG: 1083600 74.6081 -29.0967 6.55849 -29.0967 43.6781 -7.6715 6.55854 -7.67148 -95.0072 GPRESSAVG: 1083600 72.7044 -31.3324 8.06403 -27.3346 44.6213 -9.62017 6.56491 -5.71252 -93.7639 TIMING: 1083600 CPU: 3256.23, 0.0029904/step Wall: 3256.23, 0.0029904/step, 3.25322 hours remaining, 209.265625 MB of memory in use. ENERGY: 1083600 723.0414 2147.9622 1968.1082 120.9651 -205997.0409 17822.1350 0.0000 0.0000 34258.5028 -148956.3262 299.1880 -183214.8290 -148863.9602 300.3559 -44.2897 -8.4121 558189.8763 7.7596 7.8540 PRESSURE: 1083800 246.011 -50.7235 89.2423 -50.7235 -220.611 90.4273 89.2427 90.4281 -25.107 GPRESSURE: 1083800 273.774 -110.911 7.53848 -0.666892 -166.046 14.7556 138.582 202.59 -15.3214 PRESSAVG: 1083800 115.247 -30.4121 14.3507 -30.412 -22.3339 45.2647 14.3507 45.2647 -67.7378 GPRESSAVG: 1083800 116.277 -28.5212 13.059 -33.3416 -22.9459 44.9913 14.9575 45.1945 -68.7842 TIMING: 1083800 CPU: 3256.83, 0.00301884/step Wall: 3256.83, 0.00301884/step, 3.284 hours remaining, 209.265625 MB of memory in use. ENERGY: 1083800 740.5182 2073.0830 1938.5411 103.6543 -205874.5110 17725.0719 0.0000 0.0000 34387.5867 -148906.0558 300.3153 -183293.6425 -148809.6565 300.0473 0.0978 30.8022 559122.8273 8.3916 8.1824 PRESSURE: 1084000 -294.539 105.579 5.15326 105.578 203.717 51.9658 5.15385 51.9643 -229.016 GPRESSURE: 1084000 -213.991 100.814 -34.6555 45.4111 210.39 157.982 23.8285 46.7252 -218.869 PRESSAVG: 1084000 36.4857 -9.87285 -25.6511 -9.87287 -11.7175 33.2906 -25.6511 33.2907 -27.2238 GPRESSAVG: 1084000 36.6538 -12.217 -24.023 -7.17943 -12.2377 33.1775 -25.5267 34.2151 -26.7699 TIMING: 1084000 CPU: 3257.44, 0.00304197/step Wall: 3257.44, 0.00304197/step, 3.30899 hours remaining, 209.265625 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: 1084000 788.0429 2117.2373 1948.2864 104.1632 -206083.4182 17713.3540 0.0000 0.0000 34548.1611 -148864.1733 301.7177 -183412.3343 -148769.5270 300.8368 -106.6130 -74.1569 558834.3957 -0.8186 -0.7846 PRESSURE: 1084200 103.786 11.0343 -58.1074 11.0329 -131.63 -123.879 -58.1069 -123.88 131.754 GPRESSURE: 1084200 84.1369 -23.8859 -52.1464 -28.4503 -71.1103 -125.05 -4.00519 -160.119 182.452 PRESSAVG: 1084200 9.88698 15.3595 -74.2163 15.3595 35.7233 45.9097 -74.2163 45.9096 -46.8986 GPRESSAVG: 1084200 8.27569 17.5269 -72.6866 13.1781 37.0167 46.1884 -76.6461 45.0477 -46.4358 TIMING: 1084200 CPU: 3258.05, 0.00302532/step Wall: 3258.05, 0.00302532/step, 3.29071 hours remaining, 209.265625 MB of memory in use. ENERGY: 1084200 726.8108 2120.4871 1945.8672 112.7147 -205929.8269 17715.7846 0.0000 0.0000 34344.5636 -148963.5989 299.9396 -183308.1626 -148871.1989 300.4557 34.6370 65.1595 556318.3961 -0.4294 -0.3811 LDB: ============= START OF LOAD BALANCING ============== 3261.57 LDB: ============== END OF LOAD BALANCING =============== 3261.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3261.57 LDB: ============= START OF LOAD BALANCING ============== 3261.87 LDB: Largest compute 4794 load 0.027270 is 23.1% of average load 0.117928 LDB: Average compute 0.001737 is 1.5% of average load 0.117928 LDB: TIME 3261.87 LOAD: AVG 0.117928 MAX 0.20873 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.039 MB LDB: TIME 3261.87 LOAD: AVG 0.117928 MAX 0.20873 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.098 MB LDB: TIME 3261.87 LOAD: AVG 0.117928 MAX 0.20873 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.098 MB LDB: ============== END OF LOAD BALANCING =============== 3261.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3261.88 PRESSURE: 1084400 33.2445 158.385 -6.63906 158.385 62.1338 24.3422 -6.64009 24.3405 155.924 GPRESSURE: 1084400 47.9594 105.017 20.1077 171.36 151.983 -55.6624 7.70756 49.9748 144.939 PRESSAVG: 1084400 15.9858 24.2981 -58.8112 24.2981 7.32804 -2.53962 -58.8111 -2.53972 -53.5341 GPRESSAVG: 1084400 16.5275 23.5399 -60.8599 24.8678 7.58135 -0.797522 -55.5432 -4.30212 -54.1926 TIMING: 1084400 CPU: 3258.66, 0.00307633/step Wall: 3258.66, 0.00307633/step, 3.34602 hours remaining, 207.128906 MB of memory in use. ENERGY: 1084400 730.9821 2012.2898 1952.4400 115.1962 -205969.3962 17761.9053 0.0000 0.0000 34367.5526 -149029.0302 300.1404 -183396.5828 -148934.5883 299.3692 83.7675 114.9603 556900.4377 -10.0734 -10.0279 PRESSURE: 1084600 -149.635 3.35912 2.25641 3.35874 160.037 4.74467 2.25643 4.74629 31.8913 GPRESSURE: 1084600 -111.981 16.8488 -1.79453 58.496 187.024 -40.4939 -2.27188 -29.7214 61.4447 PRESSAVG: 1084600 -20.27 -34.2414 -2.4937 -34.2413 50.8687 59.7739 -2.49364 59.774 -2.33839 GPRESSAVG: 1084600 -20.0585 -32.7669 -2.71983 -33.5435 50.9163 57.4357 -4.34474 59.0548 -1.74819 TIMING: 1084600 CPU: 3259.27, 0.00305551/step Wall: 3259.27, 0.00305551/step, 3.3232 hours remaining, 207.128906 MB of memory in use. ENERGY: 1084600 767.4180 2065.6308 1922.0729 123.2904 -205846.5785 17784.1842 0.0000 0.0000 34178.9577 -149005.0246 298.4933 -183183.9823 -148912.3859 299.6116 14.0979 45.4957 558551.7466 9.4201 9.7032 PRESSURE: 1084800 -43.0524 16.5602 -46.5662 16.5608 59.3909 163.006 -46.5668 163.006 33.3698 GPRESSURE: 1084800 -54.1529 89.6841 -71.2477 -67.0229 128.436 207.986 -3.02516 193.757 82.1723 PRESSAVG: 1084800 -39.8286 24.6687 -21.0009 24.6687 -14.9258 56.6782 -21.001 56.6782 29.0164 GPRESSAVG: 1084800 -40.3561 23.1508 -19.9596 24.5032 -14.6705 58.4955 -21.4108 58.5307 30.026 TIMING: 1084800 CPU: 3259.88, 0.00302313/step Wall: 3259.88, 0.00302313/step, 3.28783 hours remaining, 207.128906 MB of memory in use. ENERGY: 1084800 742.3776 2054.4789 1928.8787 110.6472 -205906.6757 17516.8369 0.0000 0.0000 34423.5637 -149129.8926 300.6295 -183553.4563 -149035.9548 299.9671 16.5694 52.1519 556693.0578 -8.5793 -8.3335 PRESSURE: 1085000 -291.106 -38.3278 161.215 -38.3275 172.459 86.9463 161.214 86.9453 12.6891 GPRESSURE: 1085000 -245.307 -19.6152 147.334 -96.6409 222.776 150.431 85.694 -15.6184 17.3072 PRESSAVG: 1085000 -7.82286 -59.3972 34.403 -59.3972 7.70459 10.6752 34.4031 10.6752 48.4351 GPRESSAVG: 1085000 -7.06977 -61.9314 34.3962 -59.3345 7.40016 8.91871 34.4171 8.97935 47.5314 TIMING: 1085000 CPU: 3260.48, 0.00303388/step Wall: 3260.48, 0.00303388/step, 3.29934 hours remaining, 207.128906 MB of memory in use. ENERGY: 1085000 731.8798 2043.2368 1894.5673 114.6053 -206024.9822 17726.8259 0.0000 0.0000 34405.1795 -149108.6875 300.4690 -183513.8670 -149015.9678 299.1958 -35.3192 -1.7413 557691.1780 16.1056 15.9539 PRESSURE: 1085200 83.7988 -22.0351 66.9494 -22.0352 -358.728 3.49502 66.9489 3.4936 -92.5894 GPRESSURE: 1085200 119.164 -97.8992 101.661 42.3189 -343.679 -18.3099 99.1672 -10.6635 -41.2902 PRESSAVG: 1085200 -9.23606 -10.2145 -4.7676 -10.2145 11.0546 24.676 -4.76763 24.6761 11.3343 GPRESSAVG: 1085200 -9.73242 -7.9512 -3.87504 -11.0128 10.3823 25.6214 -3.46209 25.2122 11.759 TIMING: 1085200 CPU: 3261.08, 0.00300753/step Wall: 3261.08, 0.00300753/step, 3.27052 hours remaining, 207.128906 MB of memory in use. ENERGY: 1085200 736.4974 2105.5710 1895.7290 112.3870 -206024.2657 17664.2882 0.0000 0.0000 34405.1347 -149104.6584 300.4686 -183509.7931 -149013.0291 299.9135 -122.5063 -88.6017 556646.8246 4.3843 4.1363 PRESSURE: 1085400 -243.822 74.6296 -62.3222 74.6293 9.08043 107.499 -62.3227 107.497 -107.036 GPRESSURE: 1085400 -240.111 31.8621 -85.2331 91.9446 63.1444 49.7593 -30.4272 83.0429 -60.5109 PRESSAVG: 1085400 -56.8087 40.2784 9.77159 40.2784 50.3482 50.8679 9.77165 50.868 10.9578 GPRESSAVG: 1085400 -56.4992 40.2092 5.93938 41.3981 51.7747 48.7729 12.204 52.8199 9.47105 TIMING: 1085400 CPU: 3261.68, 0.00296988/step Wall: 3261.68, 0.00296988/step, 3.22942 hours remaining, 207.128906 MB of memory in use. ENERGY: 1085400 710.4547 2051.0706 1953.1063 100.4042 -205660.9348 17461.0263 0.0000 0.0000 34167.0278 -149217.8448 298.3892 -183384.8726 -149122.7961 298.6816 -113.9256 -79.1591 556162.5798 1.4991 1.5822 PRESSURE: 1085600 242.994 83.5568 -35.6071 83.5584 76.1671 4.00024 -35.6061 4.00297 71.1096 GPRESSURE: 1085600 258.024 113.199 -34.8522 57.6357 112.565 -12.9755 -78.9776 -52.7961 111.577 PRESSAVG: 1085600 59.9147 25.1204 23.5617 25.1203 -31.5078 4.61392 23.5617 4.61386 25.7919 GPRESSAVG: 1085600 59.5903 25.996 26.9519 24.4542 -32.1168 5.60025 21.3515 4.38661 27.0637 TIMING: 1085600 CPU: 3262.28, 0.00299248/step Wall: 3262.28, 0.00299248/step, 3.25382 hours remaining, 207.128906 MB of memory in use. ENERGY: 1085600 720.2250 2105.1934 1933.1942 107.8818 -205943.2188 17888.2028 0.0000 0.0000 33982.1245 -149206.3971 296.7743 -183188.5216 -149113.9445 299.1941 130.0903 160.7216 558245.4501 18.0663 18.1790 PRESSURE: 1085800 164.327 19.8519 -18.7813 19.8514 -26.1541 -74.6988 -18.7825 -74.6981 98.0076 GPRESSURE: 1085800 153.276 -14.3716 -1.97628 19.7836 45.5544 -76.7845 -98.2683 -93.4014 132.849 PRESSAVG: 1085800 -8.89809 24.6105 27.8392 24.6105 38.5188 -24.0994 27.8393 -24.0993 -48.9994 GPRESSAVG: 1085800 -9.05847 25.0201 27.3254 23.0495 38.3929 -23.3113 28.0421 -24.6299 -48.9087 TIMING: 1085800 CPU: 3262.88, 0.00299731/step Wall: 3262.88, 0.00299731/step, 3.25891 hours remaining, 207.128906 MB of memory in use. ENERGY: 1085800 721.6036 2082.4779 1955.4619 103.9142 -206203.4226 17767.2166 0.0000 0.0000 34498.4002 -149074.3482 301.2831 -183572.7484 -148979.3749 299.7352 78.7269 110.5601 558883.4299 -6.4596 -6.5247 PRESSURE: 1086000 -95.0204 -23.2644 25.4115 -23.2641 -189.692 -89.4415 25.4124 -89.4415 -221.003 GPRESSURE: 1086000 -14.0861 10.0304 8.97873 50.2926 -174.523 -91.2876 -0.0214385 -110.973 -210.817 PRESSAVG: 1086000 -12.8739 40.5363 33.6355 40.5363 23.2156 -27.3526 33.6355 -27.3525 -6.72296 GPRESSAVG: 1086000 -12.4303 40.7459 32.9824 41.4139 22.1143 -26.115 34.1517 -26.9819 -5.7185 TIMING: 1086000 CPU: 3263.48, 0.0030329/step Wall: 3263.48, 0.0030329/step, 3.29743 hours remaining, 207.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1086000 721.1017 1993.3155 1939.9529 116.7100 -206031.1210 17673.3951 0.0000 0.0000 34455.3449 -149131.3008 300.9071 -183586.6458 -149025.1395 299.5963 -168.5719 -133.1420 558091.4738 1.2062 1.3218 PRESSURE: 1086200 -185.835 81.6245 -100.568 81.6245 216.131 39.3536 -100.568 39.3547 78.8156 GPRESSURE: 1086200 -187.651 19.2169 -70.2736 43.81 285.549 105.028 -117.124 16.2532 101.315 PRESSAVG: 1086200 -63.2098 17.4094 42.9971 17.4094 96.16 9.04556 42.9971 9.04551 -20.0931 GPRESSAVG: 1086200 -63.5085 17.5829 44.0747 17.5076 97.0037 7.85521 41.3971 8.21126 -20.5662 TIMING: 1086200 CPU: 3264.09, 0.00301261/step Wall: 3264.09, 0.00301261/step, 3.27521 hours remaining, 207.128906 MB of memory in use. ENERGY: 1086200 763.0051 2074.1449 1942.3915 108.3369 -205954.1427 17824.5954 0.0000 0.0000 34113.3581 -149128.3107 297.9204 -183241.6688 -149033.9782 299.0607 36.3704 66.4046 558090.7142 4.2857 4.3096 PRESSURE: 1086400 165.288 106.066 -10.7844 106.066 300.741 -26.8082 -10.7843 -26.8077 -222.633 GPRESSURE: 1086400 164.727 114.024 -64.2274 74.4713 338.888 -67.7701 -12.46 -23.85 -164.471 PRESSAVG: 1086400 7.60887 -19.948 -14.7225 -19.948 -13.559 10.5701 -14.7225 10.5701 -3.71831 GPRESSAVG: 1086400 9.52213 -20.3911 -15.2815 -18.8922 -13.4131 12.3365 -14.2512 9.98613 -5.43454 TIMING: 1086400 CPU: 3264.69, 0.00302137/step Wall: 3264.69, 0.00302137/step, 3.28457 hours remaining, 207.128906 MB of memory in use. ENERGY: 1086400 732.9156 2106.6476 1923.1152 115.6501 -206301.5475 17895.0084 0.0000 0.0000 34336.3061 -149191.9044 299.8675 -183528.2105 -149092.4759 299.5959 81.1321 113.0483 557700.9703 -3.2228 -3.1085 PRESSURE: 1086600 56.9737 -137.549 -217.664 -137.549 -221.822 -18.6812 -217.663 -18.6816 127.775 GPRESSURE: 1086600 63.6884 -175.847 -230.744 -31.383 -187.918 45.7047 -103.334 -83.6535 171.99 PRESSAVG: 1086600 -10.6581 56.174 6.31151 56.1739 -10.7051 45.5379 6.31153 45.5379 19.3817 GPRESSAVG: 1086600 -10.6721 54.9114 6.59536 56.215 -11.2685 45.1216 6.34709 45.8727 20.1604 TIMING: 1086600 CPU: 3265.29, 0.00297994/step Wall: 3265.29, 0.00297994/step, 3.23936 hours remaining, 207.128906 MB of memory in use. ENERGY: 1086600 770.6415 2084.9724 1946.2158 119.8947 -206488.6119 17886.7360 0.0000 0.0000 34410.7903 -149269.3611 300.5180 -183680.1515 -149176.1558 299.3802 -12.3579 15.9203 558375.7786 -0.6605 -0.5934 PRESSURE: 1086800 -163.36 -39.4025 -35.9665 -39.4024 151.243 148.954 -35.9667 148.954 289.46 GPRESSURE: 1086800 -129.976 15.9315 3.07325 -38.3064 185.612 207.956 2.21424 133.894 326.316 PRESSAVG: 1086800 -83.447 -52.9987 7.69023 -52.9987 10.9983 24.4979 7.69025 24.4978 87.728 GPRESSAVG: 1086800 -85.0635 -53.1192 8.68724 -52.3572 11.8222 24.7449 7.61443 23.232 88.4882 TIMING: 1086800 CPU: 3265.88, 0.00295908/step Wall: 3265.88, 0.00295908/step, 3.21652 hours remaining, 207.128906 MB of memory in use. ENERGY: 1086800 755.7932 2101.0519 1964.9018 106.8035 -206310.5415 17799.6896 0.0000 0.0000 34268.9796 -149313.3219 299.2795 -183582.3015 -149216.0465 298.6322 92.4476 127.3173 557245.8282 5.0931 5.0823 PRESSURE: 1087000 17.0991 132.078 28.8427 132.076 -235.403 -68.4043 28.8418 -68.4039 60.3529 GPRESSURE: 1087000 48.1952 107.683 50.9705 112.487 -198.531 -31.2454 85.5495 -46.1404 92.3199 PRESSAVG: 1087000 18.5899 18.6336 -4.51825 18.6336 -13.6116 -3.95049 -4.51818 -3.95051 -1.84384 GPRESSAVG: 1087000 19.8285 19.4653 -6.21432 17.2114 -14.6532 -6.85093 -2.52782 -2.87344 -1.9561 TIMING: 1087000 CPU: 3266.47, 0.00296315/step Wall: 3266.47, 0.00296315/step, 3.22078 hours remaining, 207.128906 MB of memory in use. ENERGY: 1087000 723.0017 2121.6038 1968.6950 111.1745 -206545.8410 17757.1949 0.0000 0.0000 34304.5414 -149559.6297 299.5901 -183864.1711 -149456.6983 299.0295 -52.6505 -19.3387 557126.4442 1.0448 1.0730 PRESSURE: 1087200 -274.065 103.883 -65.2517 103.884 -110.333 -150.178 -65.2518 -150.177 -132.544 GPRESSURE: 1087200 -243.226 73.4902 -97.7024 162.862 -94.1563 -168.276 -101.663 -154.333 -83.6799 PRESSAVG: 1087200 -66.285 50.7695 23.7216 50.7694 31.6839 -11.3734 23.7215 -11.3734 69.423 GPRESSAVG: 1087200 -67.4395 50.9104 24.2038 51.3446 32.6793 -8.24812 23.7069 -11.4229 69.2273 TIMING: 1087200 CPU: 3267.07, 0.00299423/step Wall: 3267.07, 0.00299423/step, 3.25439 hours remaining, 207.128906 MB of memory in use. ENERGY: 1087200 728.2414 2061.8413 1960.9962 111.1921 -206024.6126 17541.3791 0.0000 0.0000 34085.6171 -149535.3455 297.6782 -183620.9626 -149438.0208 298.5734 -172.3141 -140.3541 557177.6238 11.6073 11.4890 PRESSURE: 1087400 102.452 -62.5143 33.081 -62.5142 -112.782 50.0647 33.081 50.0663 -139.09 GPRESSURE: 1087400 156.31 -42.5438 -16.8826 -0.968264 -109.659 52.1649 18.2442 112.316 -104.335 PRESSAVG: 1087400 8.36384 60.3614 7.55927 60.3614 22.8765 30.3477 7.55928 30.3478 -1.85403 GPRESSAVG: 1087400 8.51436 60.3845 7.35913 59.681 22.5602 29.0823 4.13952 30.753 -1.7044 TIMING: 1087400 CPU: 3267.67, 0.00299618/step Wall: 3267.67, 0.00299618/step, 3.25635 hours remaining, 207.128906 MB of memory in use. ENERGY: 1087400 744.9131 2098.7863 1969.3632 117.7880 -206480.2111 17843.9343 0.0000 0.0000 34189.3081 -149516.1181 298.5837 -183705.4262 -149410.3499 298.1906 -49.8066 -19.2280 556943.8891 9.7954 9.7901 PRESSURE: 1087600 -357.015 17.3725 -43.3368 17.3712 -60.6506 -1.98003 -43.3368 -1.97914 -158.847 GPRESSURE: 1087600 -341.419 40.5212 -57.9343 -104.502 -15.5554 -36.4745 -93.6075 6.96911 -115.18 PRESSAVG: 1087600 -67.3837 -48.4623 -44.1694 -48.4622 21.5829 5.57451 -44.1694 5.57458 8.00418 GPRESSAVG: 1087600 -67.239 -49.0725 -42.6053 -49.4848 21.8557 5.38876 -43.2056 6.42239 7.44819 TIMING: 1087600 CPU: 3268.27, 0.00298807/step Wall: 3268.27, 0.00298807/step, 3.24737 hours remaining, 207.128906 MB of memory in use. ENERGY: 1087600 751.9743 2141.5218 1951.3325 119.2678 -205998.2451 17304.6492 0.0000 0.0000 34258.3174 -149471.1822 299.1864 -183729.4996 -149374.9590 299.1612 -192.1709 -157.3849 557136.3166 -12.5989 -12.6450 PRESSURE: 1087800 -237.407 39.8552 -165.876 39.8572 61.7095 2.39049 -165.876 2.39171 115.144 GPRESSURE: 1087800 -142.249 -14.4396 -234.79 27.793 64.3901 -63.7981 -161.489 91.4127 116.4 PRESSAVG: 1087800 -6.1995 31.678 -113.146 31.678 33.5048 9.59788 -113.146 9.59789 -16.9793 GPRESSAVG: 1087800 -6.34572 30.9061 -114.714 33.0076 33.0125 10.9356 -111.904 7.12303 -16.2125 TIMING: 1087800 CPU: 3268.87, 0.00299744/step Wall: 3268.87, 0.00299744/step, 3.25738 hours remaining, 207.128906 MB of memory in use. ENERGY: 1087800 769.1814 2116.8237 1926.3151 102.7533 -206525.4667 17851.2968 0.0000 0.0000 34202.5860 -149556.5105 298.6997 -183759.0965 -149462.5215 299.0626 -20.1846 12.8470 556738.3607 3.4420 3.4848 PRESSURE: 1088000 -259.093 -33.5626 -90.4009 -33.5641 -115.895 -106.019 -90.4004 -106.019 -86.513 GPRESSURE: 1088000 -167.813 -38.4066 -44.3994 5.86155 -138.129 -136.212 -151.065 -176.007 -57.1169 PRESSAVG: 1088000 -32.8126 29.4194 -42.5358 29.4194 -0.124377 -4.57568 -42.5359 -4.57563 43.462 GPRESSAVG: 1088000 -34.0145 30.5769 -44.0443 30.6028 -0.175393 -5.67816 -42.0959 -3.65195 43.5525 TIMING: 1088000 CPU: 3269.47, 0.00300027/step Wall: 3269.47, 0.00300027/step, 3.26029 hours remaining, 207.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1088000 716.0317 2133.9135 1933.9213 119.2922 -206008.3103 17457.6849 0.0000 0.0000 34104.8021 -149542.6645 297.8457 -183647.4667 -149444.3243 298.6354 -153.8336 -121.0194 556609.0900 3.5083 3.1209 PRESSURE: 1088200 -228.799 -125.749 -118.204 -125.749 -20.6502 55.6274 -118.202 55.6274 -178.334 GPRESSURE: 1088200 -195.744 -86.1111 -16.9129 -116.671 -36.6433 99.579 -101.799 74.3235 -116.204 PRESSAVG: 1088200 -32.4205 29.5635 -53.6927 29.5635 21.8633 49.7963 -53.6926 49.7962 52.7685 GPRESSAVG: 1088200 -30.4643 29.1472 -50.5102 28.3587 21.6327 48.298 -53.7051 51.5427 51.8019 TIMING: 1088200 CPU: 3270.07, 0.00300151/step Wall: 3270.07, 0.00300151/step, 3.26147 hours remaining, 207.128906 MB of memory in use. ENERGY: 1088200 724.0232 2111.5526 1931.8796 123.6109 -205807.5287 17435.9215 0.0000 0.0000 34046.9154 -149433.6254 297.3402 -183480.5408 -149338.2952 298.6406 -142.5942 -116.1973 556412.1983 14.0704 14.3234 LDB: ============= START OF LOAD BALANCING ============== 3273.59 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3273.59 LDB: =============== DONE WITH MIGRATION ================ 3273.59 LDB: ============= START OF LOAD BALANCING ============== 3273.89 LDB: Largest compute 4794 load 0.025416 is 21.5% of average load 0.117954 LDB: Average compute 0.001734 is 1.5% of average load 0.117954 LDB: TIME 3273.89 LOAD: AVG 0.117954 MAX 0.210798 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.477 MB LDB: TIME 3273.89 LOAD: AVG 0.117954 MAX 0.210798 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.547 MB LDB: TIME 3273.89 LOAD: AVG 0.117954 MAX 0.210798 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.547 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3273.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3273.9 PRESSURE: 1088400 160.569 117.049 -25.0778 117.049 -87.813 7.46331 -25.0778 7.46295 -37.0587 GPRESSURE: 1088400 219.961 -19.8426 41.0031 192.79 -3.26954 -24.0832 -101.817 66.1691 -87.3712 PRESSAVG: 1088400 -10.7494 -3.77461 -31.2599 -3.77462 5.4156 22.8593 -31.2598 22.8593 0.973818 GPRESSAVG: 1088400 -10.6715 -3.57387 -32.5519 -3.55908 5.4527 26.1159 -31.5349 20.2877 1.13558 TIMING: 1088400 CPU: 3270.68, 0.00309276/step Wall: 3270.68, 0.00309276/step, 3.36046 hours remaining, 210.398438 MB of memory in use. ENERGY: 1088400 694.2047 2085.3623 1910.2988 121.1924 -206392.7747 17889.7363 0.0000 0.0000 34330.9754 -149361.0049 299.8209 -183691.9803 -149261.8967 298.7627 11.8992 43.1067 556572.8645 -1.4533 -1.3611 PRESSURE: 1088600 -140.255 55.0144 -161.943 55.0154 -413.512 -69.2123 -161.943 -69.2132 -167.685 GPRESSURE: 1088600 -174.836 -0.352572 -123.147 122.038 -372.618 -11.2253 -100.156 -75.4855 -76.1198 PRESSAVG: 1088600 36.693 40.1874 4.50404 40.1873 -6.75628 14.3236 4.50402 14.3236 -7.00454 GPRESSAVG: 1088600 36.0182 40.2884 2.99834 39.1021 -7.29619 14.0211 5.69335 16.3062 -5.78018 TIMING: 1088600 CPU: 3271.29, 0.0030271/step Wall: 3271.29, 0.0030271/step, 3.28894 hours remaining, 210.464844 MB of memory in use. ENERGY: 1088600 775.5418 2038.7651 1926.7480 111.4064 -205801.0671 17439.3421 0.0000 0.0000 34036.3859 -149472.8778 297.2482 -183509.2637 -149383.5756 298.4842 -240.4839 -207.8580 558280.3135 7.6441 7.6473 PRESSURE: 1088800 -225.872 154.509 -2.59171 154.51 -12.9627 -211.213 -2.59043 -211.213 -280.397 GPRESSURE: 1088800 -193.732 218.352 42.1378 110.89 25.4581 -282.52 -68.2089 -202.548 -251.548 PRESSAVG: 1088800 -19.4138 51.8861 -3.7393 51.8861 100.939 -9.12239 -3.73925 -9.12227 -43.2512 GPRESSAVG: 1088800 -19.8136 52.6368 -2.35556 52.708 101.491 -10.1683 -5.31761 -9.07156 -43.4117 TIMING: 1088800 CPU: 3271.9, 0.00303207/step Wall: 3271.9, 0.00303207/step, 3.29418 hours remaining, 210.464844 MB of memory in use. ENERGY: 1088800 709.0600 2078.2960 1933.9122 98.2452 -206200.7726 17688.4884 0.0000 0.0000 34053.2127 -149639.5581 297.3952 -183692.7707 -149542.0633 298.2901 -173.0773 -139.9407 558123.6765 12.7580 12.7553 PRESSURE: 1089000 135.262 35.5789 -77.9585 35.5777 -91.9908 63.757 -77.9579 63.7573 179.394 GPRESSURE: 1089000 195.031 -36.1222 -50.5618 120.02 -3.90089 32.1207 15.5089 29.4843 133.76 PRESSAVG: 1089000 -8.16445 24.0197 -28.7716 24.0197 -21.0135 -39.9522 -28.7716 -39.9521 38.513 GPRESSAVG: 1089000 -8.56581 24.225 -30.3984 23.8572 -21.0267 -41.1182 -27.1496 -39.9128 38.6648 TIMING: 1089000 CPU: 3272.5, 0.00300469/step Wall: 3272.5, 0.00300469/step, 3.26426 hours remaining, 210.464844 MB of memory in use. ENERGY: 1089000 712.7253 2045.2349 1926.0503 101.5678 -206426.9003 17929.2894 0.0000 0.0000 34005.0812 -149706.9515 296.9748 -183712.0326 -149616.3931 297.7897 74.2218 108.2966 556968.7417 3.1117 3.0241 PRESSURE: 1089200 -19.08 -8.27162 -34.6586 -8.27154 -66.7419 191.024 -34.6592 191.025 242.761 GPRESSURE: 1089200 11.965 60.5366 37.0526 -50.4529 -79.6685 323.206 -41.1675 134.617 320.189 PRESSAVG: 1089200 -52.2748 -8.25176 -11.7284 -8.25181 22.0466 -4.22732 -11.7283 -4.22726 41.0703 GPRESSAVG: 1089200 -52.3373 -9.22449 -11.099 -8.67354 22.0461 -3.98154 -12.1624 -4.35756 40.9337 TIMING: 1089200 CPU: 3273.1, 0.00301508/step Wall: 3273.1, 0.00301508/step, 3.27538 hours remaining, 210.464844 MB of memory in use. ENERGY: 1089200 765.7976 2006.2531 1919.7470 113.5378 -206527.5775 17895.5571 0.0000 0.0000 34312.4685 -149514.2164 299.6593 -183826.6849 -149414.3727 298.2013 52.3132 84.1618 556890.0943 3.6140 3.5475 PRESSURE: 1089400 -202.862 -54.9633 -149.109 -54.9621 -114.858 150.323 -149.109 150.324 -40.0314 GPRESSURE: 1089400 -141.011 -58.4225 -58.8924 24.5551 -89.1528 129.428 -128.846 171.479 -15.5803 PRESSAVG: 1089400 6.32752 25.3876 -6.07587 25.3877 -29.0036 39.7044 -6.07588 39.7044 38.1876 GPRESSAVG: 1089400 7.00944 22.8621 -5.27584 26.7949 -29.2986 39.7752 -6.46459 37.9163 37.9522 TIMING: 1089400 CPU: 3273.7, 0.00301185/step Wall: 3273.7, 0.00301185/step, 3.27171 hours remaining, 210.464844 MB of memory in use. ENERGY: 1089400 750.1291 2028.2367 1926.6320 115.0542 -206152.0583 17832.9358 0.0000 0.0000 34099.9252 -149399.1452 297.8031 -183499.0704 -149303.9375 298.5201 -119.2506 -81.9147 557894.6217 5.1705 5.2210 PRESSURE: 1089600 33.0851 -217.725 64.5503 -217.725 35.6939 -35.0094 64.5506 -35.0104 -270.622 GPRESSURE: 1089600 63.3568 -159.55 -35.5939 -147.474 30.2476 -53.0768 55.4738 -1.26574 -211.93 PRESSAVG: 1089600 43.9356 -27.4491 7.05608 -27.4491 2.43357 -1.32471 7.05611 -1.32459 -38.1082 GPRESSAVG: 1089600 43.1917 -25.712 8.63615 -27.5869 2.84774 0.072942 5.39684 -1.17389 -37.7377 TIMING: 1089600 CPU: 3274.3, 0.00299424/step Wall: 3274.3, 0.00299424/step, 3.25241 hours remaining, 210.464844 MB of memory in use. ENERGY: 1089600 728.0110 2078.8521 1928.0124 99.4554 -206236.8366 17789.5651 0.0000 0.0000 34151.4579 -149461.4827 298.2532 -183612.9405 -149361.7666 298.5921 -67.2811 -39.4420 557778.1099 2.7537 2.7673 PRESSURE: 1089800 96.0566 -7.65749 -62.8495 -7.65739 -164.833 -85.94 -62.8498 -85.9408 -261.156 GPRESSURE: 1089800 179.183 -79.5799 -57.863 -17.9697 -166.739 -61.1015 -42.7002 -95.8329 -249.728 PRESSAVG: 1089800 68.1428 -30.6653 -45.9017 -30.6652 -25.2372 -31.1076 -45.9016 -31.1075 -7.42512 GPRESSAVG: 1089800 68.5866 -30.9328 -48.0912 -32.3087 -25.3886 -30.9266 -44.4661 -31.6795 -7.52399 TIMING: 1089800 CPU: 3274.9, 0.00297067/step Wall: 3274.9, 0.00297067/step, 3.22664 hours remaining, 210.464844 MB of memory in use. ENERGY: 1089800 779.2627 2053.2716 1955.1384 118.0721 -206858.7396 17845.4323 0.0000 0.0000 34359.9401 -149747.6224 300.0739 -184107.5625 -149652.3561 298.5402 -109.9776 -79.0947 556201.1263 11.8268 11.8914 PRESSURE: 1090000 -258.139 20.7021 -60.1942 20.7008 31.3933 72.7679 -60.1944 72.7676 8.76388 GPRESSURE: 1090000 -228.806 52.775 -45.6282 9.46381 64.1582 143.028 -114.491 37.8408 36.4715 PRESSAVG: 1090000 64.5193 69.3086 3.61375 69.3086 -25.8486 12.9917 3.6137 12.9917 -47.0482 GPRESSAVG: 1090000 64.861 69.6015 1.17419 70.3304 -25.9128 13.3608 5.46032 11.775 -47.0914 TIMING: 1090000 CPU: 3275.5, 0.0029993/step Wall: 3275.5, 0.0029993/step, 3.25757 hours remaining, 210.464844 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: 1090000 722.8534 2137.5037 1917.2731 122.4684 -206375.3565 17693.5067 0.0000 0.0000 34172.2248 -149609.5264 298.4345 -183781.7512 -149512.3245 299.1495 -72.6607 -42.7254 557924.0471 -2.7925 -2.7144 PRESSURE: 1090200 -146.352 16.7573 -239.293 16.7578 -45.6574 171.789 -239.294 171.789 -35.9346 GPRESSURE: 1090200 -148.809 145.202 -261.182 26.7259 1.6159 187.194 -243.096 107.854 4.41042 PRESSAVG: 1090200 9.04543 -2.08834 -21.4725 -2.08824 17.6832 80.9983 -21.4725 80.9983 -4.63701 GPRESSAVG: 1090200 8.12761 -2.80478 -16.5935 -2.77617 17.1514 79.8059 -23.2272 84.0607 -3.45183 TIMING: 1090200 CPU: 3276.1, 0.00301943/step Wall: 3276.1, 0.00301943/step, 3.27927 hours remaining, 210.464844 MB of memory in use. ENERGY: 1090200 759.8847 2084.9602 1920.6207 113.8139 -206024.4098 17627.4966 0.0000 0.0000 34033.5215 -149484.1123 297.2232 -183517.6337 -149390.2910 297.6681 -75.9815 -47.5941 556562.1343 7.3639 7.2757 PRESSURE: 1090400 -39.1841 -84.8626 13.0374 -84.8637 111.39 -24.427 13.0369 -24.4282 94.6074 GPRESSURE: 1090400 -30.2319 -85.5869 -55.6831 -52.2339 167.557 -112.894 131.448 -7.63323 138.92 PRESSAVG: 1090400 2.73262 -44.466 -25.4355 -44.4661 -1.33308 44.8319 -25.4353 44.832 -0.785564 GPRESSAVG: 1090400 2.23115 -43.4796 -26.8792 -43.3345 -0.598173 45.9066 -25.9415 43.924 -0.298281 TIMING: 1090400 CPU: 3276.7, 0.00300076/step Wall: 3276.7, 0.00300076/step, 3.25883 hours remaining, 210.464844 MB of memory in use. ENERGY: 1090400 710.8653 2121.2985 1981.2867 111.0150 -206335.1900 17782.1917 0.0000 0.0000 34167.1258 -149461.4070 298.3900 -183628.5328 -149374.5970 298.4073 55.6045 92.0816 555023.6041 0.2047 0.4449 PRESSURE: 1090600 161.07 137.432 -13.9386 137.432 30.7404 -77.2629 -13.9378 -77.2645 310.336 GPRESSURE: 1090600 182.763 201.11 30.7255 114.899 92.1789 -5.08487 16.546 -48.2939 331.147 PRESSAVG: 1090600 68.3723 39.7007 -43.0053 39.7006 -25.1607 49.5998 -43.0053 49.5998 14.6883 GPRESSAVG: 1090600 69.4363 37.8306 -44.0181 38.1095 -25.1611 50.4753 -42.7972 48.9025 13.5466 TIMING: 1090600 CPU: 3277.3, 0.0030071/step Wall: 3277.3, 0.0030071/step, 3.26555 hours remaining, 210.464844 MB of memory in use. ENERGY: 1090600 728.4624 2068.9375 1915.4839 115.9316 -206638.8034 17959.4301 0.0000 0.0000 34318.7265 -149531.8315 299.7140 -183850.5580 -149439.3709 298.5753 167.3818 202.0299 556103.0653 19.2999 19.2739 PRESSURE: 1090800 -143.02 5.90187 133.249 5.90275 -118.835 -223.072 133.249 -223.072 67.0135 GPRESSURE: 1090800 -118.466 -108.268 218.312 85.2346 -73.7252 -169.594 28.7325 -220.108 87.4004 PRESSAVG: 1090800 32.0128 -7.37856 38.7667 -7.3786 -40.1184 -2.86473 38.7667 -2.86471 8.73645 GPRESSAVG: 1090800 30.3776 -7.34384 39.0582 -6.53353 -39.5727 -4.15952 39.9315 -2.85607 9.33579 TIMING: 1090800 CPU: 3277.9, 0.00299458/step Wall: 3277.9, 0.00299458/step, 3.25178 hours remaining, 210.464844 MB of memory in use. ENERGY: 1090800 739.8044 2099.9832 1939.5440 115.6456 -206378.1104 17725.8412 0.0000 0.0000 34247.2294 -149510.0626 299.0896 -183757.2919 -149412.4880 298.6720 -64.9472 -34.9302 556592.3371 0.2103 0.0469 PRESSURE: 1091000 -63.4378 113.291 -41.6132 113.29 61.9182 -13.2252 -41.6131 -13.2242 63.9632 GPRESSURE: 1091000 -31.2008 146.999 20.6972 112.283 66.2151 -45.9668 -103.083 26.4255 120.419 PRESSAVG: 1091000 -54.501 -12.5266 34.3369 -12.5266 16.0815 -63.6415 34.3369 -63.6416 68.4733 GPRESSAVG: 1091000 -53.5255 -10.2451 34.2122 -14.9607 14.3295 -65.0901 31.0578 -63.2698 68.6327 TIMING: 1091000 CPU: 3278.5, 0.00297824/step Wall: 3278.5, 0.00297824/step, 3.23387 hours remaining, 210.464844 MB of memory in use. ENERGY: 1091000 724.2617 2119.5375 1903.8644 123.1689 -206801.5645 17871.0373 0.0000 0.0000 34479.6133 -149580.0814 301.1190 -184059.6947 -149483.2150 298.3938 20.8145 51.8112 557131.3155 10.0179 9.8122 PRESSURE: 1091200 -73.544 22.2509 74.761 22.2514 -115.735 25.2295 74.7613 25.2284 -88.4381 GPRESSURE: 1091200 -10.8282 -24.2848 87.0399 6.15565 -75.4182 -5.48192 29.2746 7.40737 -79.1974 PRESSAVG: 1091200 -41.068 -0.202046 -26.5187 -0.201973 21.8385 4.03957 -26.5188 4.03949 -2.29327 GPRESSAVG: 1091200 -41.3381 -3.26717 -24.3113 0.664518 22.6804 3.3821 -25.0041 3.34241 -3.00248 TIMING: 1091200 CPU: 3279.08, 0.0029432/step Wall: 3279.08, 0.0029432/step, 3.19566 hours remaining, 210.464844 MB of memory in use. ENERGY: 1091200 734.7393 2125.3424 1943.8611 107.1211 -206066.5600 17639.5996 0.0000 0.0000 34137.3130 -149378.5834 298.1296 -183515.8964 -149280.6266 298.2360 -92.5725 -55.1480 557561.0636 -7.1743 -7.2201 PRESSURE: 1091400 163.322 -31.2313 8.7469 -31.2314 101.103 186.071 8.74704 186.071 -109.039 GPRESSURE: 1091400 136.033 11.5558 98.0833 -80.5208 172.668 224.776 -14.1031 144.037 -67.5976 PRESSAVG: 1091400 -37.5723 -31.7424 -18.5567 -31.7423 25.5859 17.2515 -18.5566 17.2515 42.5126 GPRESSAVG: 1091400 -38.0646 -29.0051 -21.7252 -30.6247 25.1355 16.3463 -17.9462 20.1415 43.5182 TIMING: 1091400 CPU: 3279.68, 0.00297792/step Wall: 3279.68, 0.00297792/step, 3.2332 hours remaining, 210.464844 MB of memory in use. ENERGY: 1091400 716.0379 2126.5770 1899.2726 118.3878 -206579.1376 17903.6071 0.0000 0.0000 34427.9855 -149387.2698 300.6682 -183815.2552 -149288.2994 299.3023 51.7955 80.3677 556830.4214 10.1754 10.1964 PRESSURE: 1091600 113.483 -134.358 30.1468 -134.357 220.571 18.4271 30.147 18.427 308.917 GPRESSURE: 1091600 182.617 -248.416 -15.4843 -140.987 270.718 -47.4551 77.2297 3.34896 290.526 PRESSAVG: 1091600 2.14171 -3.01 -29.4424 -3.01012 23.1958 24.1223 -29.4424 24.1223 3.05746 GPRESSAVG: 1091600 2.60004 -4.46712 -29.321 -4.1523 23.8136 25.9658 -27.3712 19.6698 2.10012 TIMING: 1091600 CPU: 3280.28, 0.00297956/step Wall: 3280.28, 0.00297956/step, 3.23481 hours remaining, 210.464844 MB of memory in use. ENERGY: 1091600 749.0467 2097.3453 1939.7794 120.4691 -206348.0634 17989.6696 0.0000 0.0000 34305.8339 -149145.9194 299.6014 -183451.7533 -149052.8938 299.7051 214.3237 247.9534 557188.7840 9.4650 9.5046 PRESSURE: 1091800 18.6773 -68.0129 185.742 -68.0131 -161.927 12.5476 185.742 12.5487 -30.5627 GPRESSURE: 1091800 77.7813 -95.8491 159.937 -20.6785 -125.11 81.2839 218.189 62.4046 -27.3038 PRESSAVG: 1091800 -19.4259 -47.0033 -0.855074 -47.0032 51.7471 -15.6017 -0.855148 -15.6016 -26.9574 GPRESSAVG: 1091800 -19.0667 -48.1189 0.211237 -44.6974 50.3908 -15.8684 -2.78881 -13.6196 -26.5471 TIMING: 1091800 CPU: 3280.87, 0.002978/step Wall: 3280.87, 0.002978/step, 3.23295 hours remaining, 210.464844 MB of memory in use. ENERGY: 1091800 725.0079 2074.5322 1970.3614 108.9326 -206071.2902 17648.4440 0.0000 0.0000 34356.2132 -149187.7989 300.0414 -183544.0121 -149087.8283 299.4195 -57.9375 -24.8775 556987.9589 1.7879 1.5923 PRESSURE: 1092000 82.7562 117.177 276.348 117.176 171.001 -125.329 276.347 -125.33 -201.394 GPRESSURE: 1092000 94.6619 157.192 279.133 37.872 200.769 -84.2008 231.643 -156.704 -136.844 PRESSAVG: 1092000 -3.62512 -24.6697 38.3671 -24.6696 12.1239 9.89469 38.367 9.89464 -13.1979 GPRESSAVG: 1092000 -4.17292 -21.9076 39.8744 -27.8576 12.5103 11.0227 37.1945 10.3365 -12.9232 TIMING: 1092000 CPU: 3281.47, 0.00300152/step Wall: 3281.47, 0.00300152/step, 3.25831 hours remaining, 210.464844 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: 1092000 734.8312 2122.0568 1935.2554 103.1297 -206149.1070 17678.8271 0.0000 0.0000 34380.3810 -149194.6257 300.2524 -183575.0067 -149096.1309 299.8092 17.4543 52.8623 556840.1712 -1.5664 -1.5286 PRESSURE: 1092200 32.2694 35.7438 47.2229 35.7439 169.467 139.523 47.2223 139.522 -11.1654 GPRESSURE: 1092200 68.4906 99.1213 92.7877 -38.2964 161.947 73.4384 -35.7375 97.3982 69.2758 PRESSAVG: 1092200 -56.2013 83.3174 73.8046 83.3173 22.2602 -29.6497 73.8046 -29.6495 47.1322 GPRESSAVG: 1092200 -56.0494 82.1904 73.5985 84.3637 22.1087 -30.3456 73.513 -31.4248 47.6342 TIMING: 1092200 CPU: 3282.07, 0.00300019/step Wall: 3282.07, 0.00300019/step, 3.2567 hours remaining, 210.464844 MB of memory in use. ENERGY: 1092200 765.9546 2104.6686 1895.1749 112.6241 -206351.9059 17948.9827 0.0000 0.0000 34439.2772 -149085.2237 300.7668 -183524.5010 -148993.5354 299.7775 63.5236 99.9045 557792.3743 4.3970 4.5645 LDB: ============= START OF LOAD BALANCING ============== 3285.59 LDB: ============== END OF LOAD BALANCING =============== 3285.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3285.59 LDB: ============= START OF LOAD BALANCING ============== 3285.89 LDB: Largest compute 4794 load 0.027087 is 23.0% of average load 0.117811 LDB: Average compute 0.001743 is 1.5% of average load 0.117811 LDB: TIME 3285.9 LOAD: AVG 0.117811 MAX 0.212473 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.34 MB LDB: TIME 3285.9 LOAD: AVG 0.117811 MAX 0.212473 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.543 MB LDB: TIME 3285.9 LOAD: AVG 0.117811 MAX 0.212473 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.543 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3285.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3285.9 PRESSURE: 1092400 -160.433 65.1913 -53.7593 65.1908 140.97 -112.678 -53.76 -112.678 -211.227 GPRESSURE: 1092400 -128.574 73.1107 -94.0884 -47.5219 156.358 -139.782 -82.438 -174.218 -161.152 PRESSAVG: 1092400 -40.4004 -13.131 31.3943 -13.1311 -25.5336 22.2199 31.3943 22.22 65.9094 GPRESSAVG: 1092400 -40.4856 -12.4464 29.8811 -13.826 -24.6885 21.7209 32.6739 24.3582 65.3177 TIMING: 1092400 CPU: 3282.69, 0.00307161/step Wall: 3282.69, 0.00307161/step, 3.33406 hours remaining, 206.484375 MB of memory in use. ENERGY: 1092400 801.4282 2073.2801 1925.2464 121.3540 -205908.7648 17810.5098 0.0000 0.0000 34045.8090 -149131.1372 297.3305 -183176.9463 -149039.0515 300.3762 -76.8966 -44.4557 559507.8719 -0.0082 0.0479 PRESSURE: 1092600 73.0479 -68.3127 137.697 -68.3126 -113.207 161.899 137.697 161.9 -5.1868 GPRESSURE: 1092600 105.923 -53.7204 126.52 55.628 -65.0777 201.676 108.804 65.389 -0.839828 PRESSAVG: 1092600 15.435 3.14237 6.1091 3.14227 -35.9037 -19.3863 6.10914 -19.3863 1.45084 GPRESSAVG: 1092600 15.4707 1.88952 7.73182 4.54788 -37.4509 -19.6985 5.03789 -19.6732 2.60198 TIMING: 1092600 CPU: 3283.29, 0.00301525/step Wall: 3283.29, 0.00301525/step, 3.27271 hours remaining, 206.484375 MB of memory in use. ENERGY: 1092600 776.6657 2120.9628 1929.9296 123.4578 -206034.7451 17749.3830 0.0000 0.0000 34262.5782 -149071.7680 299.2236 -183334.3462 -148972.6539 299.4386 -15.1154 13.3353 557823.0521 -6.3393 -6.4594 PRESSURE: 1092800 -181.228 10.3149 -77.3082 10.3122 113.93 148.311 -77.3075 148.312 -160.97 GPRESSURE: 1092800 -108.624 -33.0744 -63.6876 -33.8574 132.232 175.209 -154.715 144.069 -156.95 PRESSAVG: 1092800 48.5564 -21.089 -12.6631 -21.0891 -11.4188 20.3749 -12.663 20.3748 3.75239 GPRESSAVG: 1092800 48.8698 -18.9232 -12.7 -21.939 -11.1147 21.3699 -12.0267 19.597 2.86555 TIMING: 1092800 CPU: 3283.89, 0.00302756/step Wall: 3283.89, 0.00302755/step, 3.28591 hours remaining, 206.484375 MB of memory in use. ENERGY: 1092800 785.1591 2157.5402 1935.6400 121.3827 -206239.0142 17812.5653 0.0000 0.0000 34174.0991 -149252.6278 298.4509 -183426.7269 -149157.2964 299.5600 -76.0892 -44.4476 558243.7138 13.6300 13.5402 PRESSURE: 1093000 -169.085 -29.6738 -175.98 -29.6719 -152.828 165.56 -175.979 165.559 287.744 GPRESSURE: 1093000 -157.788 14.3364 -170.441 -32.6861 -126.365 204.697 -161.891 170.331 340.67 PRESSAVG: 1093000 -37.3013 -7.6947 -17.7611 -7.6947 76.6775 27.9999 -17.761 27.9999 -20.1959 GPRESSAVG: 1093000 -37.7384 -8.37003 -18.0287 -8.65306 76.251 27.1132 -18.3531 28.3091 -19.4419 TIMING: 1093000 CPU: 3284.5, 0.00302024/step Wall: 3284.5, 0.00302024/step, 3.2778 hours remaining, 206.484375 MB of memory in use. ENERGY: 1093000 718.7966 2086.1199 1921.4866 123.1442 -205996.5363 17653.7836 0.0000 0.0000 34184.0273 -149309.1780 298.5376 -183493.2054 -149205.6857 299.2934 -11.3895 18.8389 557802.0003 6.3934 6.3569 PRESSURE: 1093200 -46.1394 23.1507 34.9761 23.1512 -25.0107 156.835 34.9774 156.836 222.939 GPRESSURE: 1093200 -49.6056 23.011 107.118 40.3719 33.4554 139.492 -18.204 201.225 281.188 PRESSAVG: 1093200 20.5642 27.7816 -30.673 27.7816 -6.57988 15.2857 -30.673 15.2857 -34.7278 GPRESSAVG: 1093200 21.1129 26.2272 -32.1545 29.5498 -5.93549 16.1926 -28.9357 15.861 -36.0598 TIMING: 1093200 CPU: 3285.1, 0.00301481/step Wall: 3285.1, 0.00301481/step, 3.27173 hours remaining, 206.484375 MB of memory in use. ENERGY: 1093200 755.6304 2037.1219 1913.2415 116.1459 -206415.2444 17990.6175 0.0000 0.0000 34248.0779 -149354.4093 299.0970 -183602.4872 -149254.6312 298.8764 50.5964 88.3460 558573.2321 -6.9145 -6.9608 PRESSURE: 1093400 -230.546 72.8338 -60.8083 72.8331 60.4246 -147.802 -60.8092 -147.803 8.48667 GPRESSURE: 1093400 -176.731 0.53543 1.03751 123.997 90.621 -185.005 -9.73935 -179.967 13.3127 PRESSAVG: 1093400 2.22219 -30.7428 -93.6272 -30.7427 -20.1653 -18.0019 -93.6272 -18.0019 1.33142 GPRESSAVG: 1093400 2.20896 -27.2918 -93.5963 -31.9983 -21.0749 -19.3174 -93.1497 -18.3751 2.30224 TIMING: 1093400 CPU: 3285.71, 0.00302751/step Wall: 3285.71, 0.00302751/step, 3.28535 hours remaining, 206.484375 MB of memory in use. ENERGY: 1093400 779.5516 2040.6437 1938.0191 107.2592 -206159.8750 17754.9139 0.0000 0.0000 34271.6816 -149267.8058 299.3031 -183539.4875 -149174.6058 298.9714 -53.8782 -24.2656 558129.7829 -5.5372 -5.5212 PRESSURE: 1093600 14.1185 128.994 57.1169 128.995 -151.774 126.608 57.1161 126.61 -181.211 GPRESSURE: 1093600 11.4981 100.935 32.0396 127.701 -116.445 153.875 120.564 15.6686 -121.448 PRESSAVG: 1093600 -0.0948324 0.761067 -28.3699 0.76116 78.9978 -33.2125 -28.37 -33.2125 -60.1951 GPRESSAVG: 1093600 -1.55625 -1.71848 -28.2538 1.09922 79.4648 -32.2788 -29.3313 -34.1171 -59.6044 TIMING: 1093600 CPU: 3286.31, 0.0030244/step Wall: 3286.31, 0.0030244/step, 3.28181 hours remaining, 206.484375 MB of memory in use. ENERGY: 1093600 751.5405 2093.6209 1944.2240 104.0063 -206337.0013 17804.6385 0.0000 0.0000 34247.7804 -149391.1906 299.0944 -183638.9711 -149290.5727 299.1824 -106.2889 -75.4650 558770.9947 6.2360 6.1014 PRESSURE: 1093800 163.451 28.1829 -34.4233 28.1833 -127.394 16.0181 -34.4218 16.0183 -5.70873 GPRESSURE: 1093800 210.487 29.6219 -53.2993 -79.8496 -122.517 -23.9549 63.0855 98.6534 39.8449 PRESSAVG: 1093800 -17.1966 -21.9981 -21.2415 -21.9981 22.0094 -18.5465 -21.2415 -18.5465 45.2231 GPRESSAVG: 1093800 -14.4125 -21.6185 -20.8917 -20.9893 21.6277 -18.8311 -21.6777 -17.7922 42.8541 TIMING: 1093800 CPU: 3286.91, 0.00300429/step Wall: 3286.91, 0.00300429/step, 3.25983 hours remaining, 206.484375 MB of memory in use. ENERGY: 1093800 745.7742 2081.5397 1941.1879 106.0353 -206342.0236 17876.7973 0.0000 0.0000 34210.0290 -149380.6603 298.7647 -183590.6893 -149285.3033 299.1755 10.1164 42.6048 557203.5582 16.6786 16.6897 PRESSURE: 1094000 -201.116 -68.3496 5.00744 -68.3499 -181.981 76.0402 5.00793 76.0403 -124.169 GPRESSURE: 1094000 -113.736 -98.676 -45.473 -72.6815 -157.3 40.0807 17.1693 66.323 -147.38 PRESSAVG: 1094000 -33.2251 53.7314 1.98719 53.7314 -12.9924 1.35474 1.98722 1.3548 69.6162 GPRESSAVG: 1094000 -35.7471 55.3288 1.30503 52.2304 -12.7025 1.46384 2.00526 0.176385 71.6988 TIMING: 1094000 CPU: 3287.51, 0.00298749/step Wall: 3287.51, 0.00298749/step, 3.24143 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: 1094000 728.2695 2098.4672 1896.9918 107.7712 -206327.4236 17656.4707 0.0000 0.0000 34616.1855 -149223.2676 302.3118 -183839.4532 -149124.3380 299.8614 -169.0886 -139.4721 557547.0082 7.7996 7.7497 PRESSURE: 1094200 -21.8876 -224.829 -6.11935 -224.83 107.41 19.5459 -6.1176 19.545 -258.898 GPRESSURE: 1094200 5.15977 -110.255 -63.3762 -287.274 95.6359 -44.6145 12.6653 55.142 -187.461 PRESSAVG: 1094200 -60.2336 -34.6938 -28.7334 -34.6939 31.9721 46.0363 -28.7333 46.0363 -16.3128 GPRESSAVG: 1094200 -61.0017 -35.6846 -26.4492 -33.6852 32.7858 45.2216 -29.194 48.3062 -16.1841 TIMING: 1094200 CPU: 3288.12, 0.00303016/step Wall: 3288.12, 0.00303016/step, 3.28756 hours remaining, 206.484375 MB of memory in use. ENERGY: 1094200 745.7394 2117.0999 1926.6788 123.2180 -206228.5989 17966.6397 0.0000 0.0000 34266.6012 -149082.6220 299.2588 -183349.2231 -148984.7736 300.1236 -57.7918 -28.8883 558522.1968 -14.8581 -14.8000 PRESSURE: 1094400 -306.825 -56.141 40.2708 -56.1411 181.195 -148.969 40.2714 -148.969 25.6766 GPRESSURE: 1094400 -263.361 -145.072 29.7383 7.54732 230.794 -201.774 130.95 -160.124 28.6931 PRESSAVG: 1094400 30.8613 -34.4964 -28.7175 -34.4964 51.7917 23.4141 -28.7174 23.4141 -48.4446 GPRESSAVG: 1094400 32.4427 -34.5727 -30.9923 -36.3058 49.5182 24.1017 -28.0436 19.5185 -47.855 TIMING: 1094400 CPU: 3288.72, 0.00304248/step Wall: 3288.72, 0.00304248/step, 3.30075 hours remaining, 206.484375 MB of memory in use. ENERGY: 1094400 751.7161 2046.2170 1954.3584 110.8943 -206178.6887 17792.3665 0.0000 0.0000 34481.7064 -149041.4299 301.1373 -183523.1363 -148938.8857 300.4168 -33.3176 -1.2911 558095.3900 11.4028 11.3686 PRESSURE: 1094600 162.883 116.371 104.862 116.372 -28.7352 90.2097 104.86 90.2098 94.6639 GPRESSURE: 1094600 221.736 103.302 115.018 80.4948 1.62874 32.5863 35.9327 106.489 101.408 PRESSAVG: 1094600 -18.559 -8.17379 -23.8141 -8.17377 2.23664 0.519881 -23.8141 0.519802 -10.7556 GPRESSAVG: 1094600 -18.7363 -8.58106 -25.1615 -9.14756 3.75102 0.795266 -23.1485 2.20602 -12.6866 TIMING: 1094600 CPU: 3289.33, 0.0030192/step Wall: 3289.33, 0.0030192/step, 3.27533 hours remaining, 206.484375 MB of memory in use. ENERGY: 1094600 701.1429 2047.7938 1935.2031 115.1840 -206050.6691 17892.5483 0.0000 0.0000 34217.1144 -149141.6826 298.8266 -183358.7970 -149052.9015 299.8496 76.2706 108.2575 558401.7823 -9.0260 -9.2240 PRESSURE: 1094800 2.21958 -72.755 -18.4061 -72.7556 -274.599 19.2324 -18.4064 19.2319 -27.4112 GPRESSURE: 1094800 94.6047 2.7991 -127.995 -161.308 -251.773 -87.839 -45.4748 103.573 -51.3818 PRESSAVG: 1094800 27.7633 -8.83898 -25.7101 -8.83897 25.0349 -23.2812 -25.71 -23.2811 -23.6076 GPRESSAVG: 1094800 27.4819 -8.21546 -22.7982 -6.82671 24.8742 -22.5043 -27.1388 -22.3195 -23.1182 TIMING: 1094800 CPU: 3289.93, 0.00303069/step Wall: 3289.93, 0.00303069/step, 3.28762 hours remaining, 206.484375 MB of memory in use. ENERGY: 1094800 775.0437 2073.1107 1926.7141 116.1364 -205888.5007 17760.6805 0.0000 0.0000 34121.9883 -149114.8271 297.9958 -183236.8154 -149019.7493 299.4768 -99.9304 -69.5168 558561.2989 9.7302 9.7460 PRESSURE: 1095000 217.771 -57.124 -7.53893 -57.1232 -121.046 89.4039 -7.53892 89.4049 44.9652 GPRESSURE: 1095000 266.371 -3.85294 -17.9465 -62.2194 -106.892 147.293 49.7244 13.3531 80.3888 PRESSAVG: 1095000 20.4139 -8.10347 -28.8764 -8.10347 -31.3919 -31.7784 -28.8764 -31.7784 8.89463 GPRESSAVG: 1095000 21.2935 -7.84393 -29.384 -8.52441 -31.2568 -31.9915 -27.9199 -32.6041 7.46272 TIMING: 1095000 CPU: 3290.54, 0.00304261/step Wall: 3290.54, 0.00304261/step, 3.30039 hours remaining, 206.484375 MB of memory in use. ENERGY: 1095000 766.8266 2073.3509 1915.0081 112.3590 -206267.4670 18009.2563 0.0000 0.0000 34133.5462 -149257.1200 298.0967 -183390.6662 -149159.5946 299.3168 47.2299 79.9559 558130.1145 -0.6945 -0.8335 PRESSURE: 1095200 -13.4819 162.21 -36.377 162.209 -63.443 -92.6023 -36.3773 -92.6021 55.429 GPRESSURE: 1095200 65.3639 124.116 34.4789 128.952 -31.0504 -144.293 -83.9908 -130.31 56.6338 PRESSAVG: 1095200 0.547562 -39.487 9.68471 -39.4869 -43.4602 -10.1521 9.68481 -10.1521 7.78147 GPRESSAVG: 1095200 -0.111742 -39.0417 10.4607 -38.8935 -43.9406 -11.8955 8.8953 -10.1182 9.17619 TIMING: 1095200 CPU: 3291.15, 0.00302871/step Wall: 3291.15, 0.00302871/step, 3.28514 hours remaining, 206.484375 MB of memory in use. ENERGY: 1095200 745.5370 2059.8795 1924.6575 103.9886 -206056.0060 17772.0563 0.0000 0.0000 34295.0510 -149154.8362 299.5072 -183449.8872 -149050.2739 299.7614 -7.1653 30.3158 558145.0280 -11.7104 -11.6254 PRESSURE: 1095400 -185.982 25.2427 -159.753 25.2418 -68.4164 -213.415 -159.753 -213.414 -219.415 GPRESSURE: 1095400 -175.322 35.0718 -198.207 9.72704 -21.2653 -274.419 -154.335 -255.669 -182.288 PRESSAVG: 1095400 33.6305 7.52031 -7.27116 7.52026 -54.2791 13.2997 -7.27127 13.2999 -27.266 GPRESSAVG: 1095400 33.2129 6.06946 -9.43035 7.84856 -53.9869 14.2057 -6.06202 15.2265 -26.6965 TIMING: 1095400 CPU: 3291.75, 0.00302841/step Wall: 3291.75, 0.00302841/step, 3.28465 hours remaining, 206.484375 MB of memory in use. ENERGY: 1095400 763.1021 2098.5345 1940.7227 120.7601 -206046.5592 17707.4031 0.0000 0.0000 34273.0603 -149142.9764 299.3152 -183416.0367 -149046.1898 299.2103 -157.9376 -126.2917 560165.6003 -15.9715 -15.8235 PRESSURE: 1095600 142.894 -0.231035 189.619 -0.230424 -184.116 149.035 189.619 149.036 192.597 GPRESSURE: 1095600 120.411 -56.5099 119.833 5.53439 -88.051 127.389 278.605 116.907 214.564 PRESSAVG: 1095600 55.6617 26.6033 15.6667 26.6033 8.50924 18.5289 15.6667 18.5289 -36.7711 GPRESSAVG: 1095600 55.8171 28.9454 18.2147 27.0663 8.09006 18.2476 15.9407 16.2297 -37.1183 TIMING: 1095600 CPU: 3292.36, 0.00302009/step Wall: 3292.36, 0.00302009/step, 3.27546 hours remaining, 206.484375 MB of memory in use. ENERGY: 1095600 760.7239 2063.2403 1931.0250 119.9417 -206205.2828 17857.6106 0.0000 0.0000 34227.6517 -149245.0896 298.9186 -183472.7413 -149152.7927 300.1443 50.4584 82.3079 557556.1860 9.1333 8.9296 PRESSURE: 1095800 -109.676 103.467 59.1642 103.466 -128.216 244.781 59.1643 244.78 -110.517 GPRESSURE: 1095800 -136.761 46.9449 59.3487 206.405 -35.2523 207.184 118.812 278.606 -75.4541 PRESSAVG: 1095800 1.95672 -32.2855 24.6999 -32.2855 -10.5455 37.4688 24.6999 37.4689 -3.88966 GPRESSAVG: 1095800 1.84857 -33.0275 25.3684 -34.5358 -9.43092 38.9069 22.5557 37.9507 -5.2042 TIMING: 1095800 CPU: 3292.96, 0.00303235/step Wall: 3292.96, 0.00303235/step, 3.28859 hours remaining, 206.484375 MB of memory in use. ENERGY: 1095800 745.7244 2126.2676 1928.9947 98.0863 -206046.6022 17707.6400 0.0000 0.0000 34158.0147 -149281.8746 298.3104 -183439.8893 -149190.3704 299.3196 -116.1362 -82.4891 557994.9702 -4.1595 -4.2622 PRESSURE: 1096000 228.817 -80.8043 8.38539 -80.8035 -114.089 -126.23 8.3836 -126.232 -437.909 GPRESSURE: 1096000 285.903 -17.3563 -27.2453 -123.814 -54.5174 -162.796 83.5424 -90.8238 -456.4 PRESSAVG: 1096000 50.9555 47.19 5.31108 47.19 45.8245 -19.6302 5.31114 -19.6303 -43.3511 GPRESSAVG: 1096000 51.3006 47.3382 3.49547 49.7326 45.3413 -20.2303 6.76306 -19.8634 -43.2485 TIMING: 1096000 CPU: 3293.56, 0.00299744/step Wall: 3293.56, 0.00299744/step, 3.25055 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: 1096000 771.2963 2101.8344 1941.4585 107.6894 -206237.1037 17859.1417 0.0000 0.0000 34208.1426 -149247.5408 298.7482 -183455.6834 -149152.6817 298.8472 -107.7270 -75.0046 558804.6839 17.8096 17.7978 PRESSURE: 1096200 123.36 18.4643 -77.1464 18.4642 113.318 -84.5587 -77.1459 -84.5592 -144.873 GPRESSURE: 1096200 130.702 67.7052 -57.1845 -15.6189 90.4825 -106.595 -101.836 -17.8234 -36.4841 PRESSAVG: 1096200 67.4928 -42.6522 18.8224 -42.6521 -0.224516 -29.3945 18.8224 -29.3945 -76.7238 GPRESSAVG: 1096200 67.6514 -43.3724 18.0054 -43.0223 -1.06022 -31.8897 19.9363 -27.7103 -76.1433 TIMING: 1096200 CPU: 3294.16, 0.00298139/step Wall: 3294.16, 0.00298139/step, 3.23298 hours remaining, 206.484375 MB of memory in use. ENERGY: 1096200 739.0037 2132.1057 1944.8667 128.0958 -206346.9799 17931.0398 0.0000 0.0000 34501.0697 -148970.7984 301.3064 -183471.8681 -148869.8802 299.6203 30.6016 61.5667 560023.8013 -3.1518 -3.1840 LDB: ============= START OF LOAD BALANCING ============== 3297.68 LDB: ============== END OF LOAD BALANCING =============== 3297.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3297.68 LDB: ============= START OF LOAD BALANCING ============== 3297.98 LDB: Largest compute 4794 load 0.027851 is 23.6% of average load 0.117775 LDB: Average compute 0.001741 is 1.5% of average load 0.117775 LDB: TIME 3297.98 LOAD: AVG 0.117775 MAX 0.209239 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.285 MB LDB: TIME 3297.98 LOAD: AVG 0.117775 MAX 0.209239 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.488 MB LDB: TIME 3297.98 LOAD: AVG 0.117775 MAX 0.209239 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.488 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3297.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3297.99 PRESSURE: 1096400 -119.282 36.4558 110.223 36.4566 196.047 29.8039 110.223 29.8024 106.102 GPRESSURE: 1096400 -16.7651 -45.3828 147.873 68.3296 204.837 30.6075 80.0151 38.1916 94.3125 PRESSAVG: 1096400 -21.5054 24.2872 2.00529 24.2872 32.2375 -40.5137 2.00521 -40.5138 -12.0801 GPRESSAVG: 1096400 -21.3604 24.4955 3.45612 24.9636 32.3211 -36.7689 2.06608 -43.4884 -13.1752 TIMING: 1096400 CPU: 3294.77, 0.00305557/step Wall: 3294.77, 0.00305557/step, 3.31326 hours remaining, 206.628906 MB of memory in use. ENERGY: 1096400 710.6087 2090.2666 1953.8249 110.9137 -206067.3329 17959.0562 0.0000 0.0000 34455.2943 -148787.3684 300.9067 -183242.6627 -148694.4531 300.6013 60.9558 94.1280 560370.8700 -0.4493 -0.7382 PRESSURE: 1096600 -165.824 -31.9846 195.812 -31.9837 -70.8817 132.951 195.811 132.954 -104.228 GPRESSURE: 1096600 -184.355 -38.7357 209.642 -96.6505 -48.7021 211.171 214.257 169.551 -5.72401 PRESSAVG: 1096600 -31.9853 -82.7213 -22.9138 -82.7213 38.7095 -12.8243 -22.9138 -12.8243 -15.767 GPRESSAVG: 1096600 -32.8358 -84.2247 -24.2991 -84.3828 38.6124 -16.2229 -22.4062 -10.9209 -15.0679 TIMING: 1096600 CPU: 3295.38, 0.00302216/step Wall: 3295.38, 0.00302216/step, 3.27687 hours remaining, 206.628906 MB of memory in use. ENERGY: 1096600 782.3142 2147.9365 1917.8665 115.1646 -205808.3272 17637.6283 0.0000 0.0000 34348.5950 -148858.8220 299.9748 -183207.4170 -148754.4989 300.8168 -113.6448 -79.5936 558925.7889 -3.0143 -3.0971 PRESSURE: 1096800 -34.2184 94.6855 66.1629 94.6856 -181.954 -25.1328 66.1631 -25.1322 -218.688 GPRESSURE: 1096800 -56.6184 61.357 91.4292 138.741 -157.407 -32.6204 0.836282 -112.892 -131.076 PRESSAVG: 1096800 15.3278 -40.7661 -4.61238 -40.7661 -50.9282 -24.6514 -4.61239 -24.6512 62.1357 GPRESSAVG: 1096800 16.2172 -38.7675 -2.92591 -40.9643 -51.4142 -21.9542 -6.077 -24.3486 62.0831 TIMING: 1096800 CPU: 3295.98, 0.00300557/step Wall: 3295.98, 0.00300557/step, 3.2587 hours remaining, 206.628906 MB of memory in use. ENERGY: 1096800 747.3620 2073.3677 1925.7788 117.8511 -205727.7288 17618.6241 0.0000 0.0000 34355.7682 -148888.9770 300.0375 -183244.7451 -148790.1273 300.2102 -144.9536 -115.0338 558749.2805 8.8451 8.9620 PRESSURE: 1097000 55.478 59.5005 -143.233 59.4995 166.13 -57.784 -143.232 -57.7847 253.614 GPRESSURE: 1097000 100.155 9.12534 -156.292 131.784 254.393 -90.6455 -139.852 106.299 225.523 PRESSAVG: 1097000 60.0997 18.964 -0.363088 18.964 -31.9458 -7.91221 -0.363081 -7.91224 -15.7557 GPRESSAVG: 1097000 59.2188 18.3434 -1.9689 18.8238 -30.0645 -8.34047 0.845318 -9.18088 -16.3318 TIMING: 1097000 CPU: 3296.58, 0.00302485/step Wall: 3296.58, 0.00302485/step, 3.27944 hours remaining, 206.628906 MB of memory in use. ENERGY: 1097000 748.8664 2148.9632 1941.5191 114.7216 -206238.3182 18144.0786 0.0000 0.0000 34372.1811 -148767.9882 300.1808 -183140.1693 -148671.5813 300.8410 158.4072 193.3574 557821.5944 4.1327 4.2742 PRESSURE: 1097200 -246.2 -60.2001 129.076 -60.2001 27.0743 175.224 129.076 175.224 -238.181 GPRESSURE: 1097200 -149.741 -25.339 4.68562 8.83126 23.4257 181.802 86.1762 215.732 -233.634 PRESSAVG: 1097200 -4.13035 -3.41786 -85.6442 -3.41795 -24.5908 105.907 -85.6442 105.906 19.7066 GPRESSAVG: 1097200 -4.16961 -2.6723 -83.209 -2.18023 -24.7 105.237 -87.2579 106.56 19.7772 TIMING: 1097200 CPU: 3297.19, 0.00301403/step Wall: 3297.19, 0.00301403/step, 3.26755 hours remaining, 206.628906 MB of memory in use. ENERGY: 1097200 762.4498 2100.6302 1939.2161 114.1996 -206118.1808 17756.0865 0.0000 0.0000 34594.3648 -148851.2338 302.1212 -183445.5986 -148754.1656 300.1709 -152.4355 -119.9830 559002.4851 -3.0048 -3.0308 PRESSURE: 1097400 -142.624 -2.36001 -151.184 -2.35946 -163.884 -33.0925 -151.186 -33.0913 13.1361 GPRESSURE: 1097400 -127.62 -49.8862 -175.658 -12.3928 -103.416 -40.7193 -171.404 47.0083 37.3103 PRESSAVG: 1097400 -12.9676 -45.2304 -12.646 -45.2306 -53.7931 54.1478 -12.646 54.1479 62.5624 GPRESSAVG: 1097400 -11.4535 -45.9132 -14.8023 -44.9542 -54.3053 52.6747 -12.3851 53.9522 61.6876 TIMING: 1097400 CPU: 3297.79, 0.00300433/step Wall: 3297.79, 0.00300433/step, 3.25686 hours remaining, 206.628906 MB of memory in use. ENERGY: 1097400 748.7571 2084.6720 1943.2185 113.0669 -205573.7672 17556.2310 0.0000 0.0000 34268.9099 -148858.9118 299.2789 -183127.8216 -148760.0686 300.1598 -97.7908 -64.5754 558668.2393 -1.3994 -1.3571 PRESSURE: 1097600 -123.467 -40.6326 -17.1911 -40.6338 -83.7581 -85.0725 -17.1903 -85.0722 -9.15345 GPRESSURE: 1097600 -94.2521 -3.37743 -50.6458 -45.7005 1.63456 -89.1844 82.7496 -76.6349 -33.0167 PRESSAVG: 1097600 -68.8211 -64.2974 16.4854 -64.2974 27.8169 -11.7475 16.4853 -11.7476 34.5857 GPRESSAVG: 1097600 -68.8324 -63.5151 15.7216 -65.3943 27.6219 -11.409 17.0237 -12.3555 34.773 TIMING: 1097600 CPU: 3298.39, 0.00303583/step Wall: 3298.39, 0.00303583/step, 3.29084 hours remaining, 206.628906 MB of memory in use. ENERGY: 1097600 770.0425 2078.8916 1959.5468 109.9267 -206223.8718 17836.5317 0.0000 0.0000 34375.4517 -149093.4809 300.2094 -183468.9326 -149001.2350 300.0455 -72.1263 -41.8781 557948.3182 -2.1395 -2.1458 PRESSURE: 1097800 -142.773 193.205 56.64 193.206 57.3896 -100.1 56.6403 -100.1 90.649 GPRESSURE: 1097800 -143.064 119.423 50.9926 178.503 106.28 -116.26 115.984 -49.4112 138.145 PRESSAVG: 1097800 7.74332 33.4685 -39.5341 33.4687 -30.8626 22.7884 -39.5342 22.7885 6.61019 GPRESSAVG: 1097800 8.33322 32.8709 -38.5556 35.0485 -31.7672 21.6946 -40.5089 25.0401 7.02473 TIMING: 1097800 CPU: 3299, 0.00303522/step Wall: 3299, 0.00303522/step, 3.29001 hours remaining, 206.628906 MB of memory in use. ENERGY: 1097800 745.2267 2029.4040 1921.2437 123.8513 -206337.9853 17864.4412 0.0000 0.0000 34245.8439 -149407.9745 299.0775 -183653.8184 -149301.5425 299.3414 1.7551 33.7868 557967.0518 -5.5030 -5.4697 PRESSURE: 1098000 26.9261 144.487 19.1353 144.487 -201.802 104.676 19.1367 104.677 -13.6244 GPRESSURE: 1098000 29.5802 86.301 41.2047 131.508 -152.434 142.709 76.2581 113.492 12.2079 PRESSAVG: 1098000 -36.9934 28.0949 -7.63427 28.0949 50.669 31.7749 -7.63432 31.7748 -4.11829 GPRESSAVG: 1098000 -38.2294 28.1387 -8.14462 26.6278 51.6705 34.3465 -6.1212 30.3392 -4.28713 TIMING: 1098000 CPU: 3299.6, 0.00300713/step Wall: 3299.6, 0.00300713/step, 3.25939 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: 1098000 728.7155 2088.1516 1920.4360 133.3650 -205918.8805 17835.1645 0.0000 0.0000 34178.6793 -149034.3685 298.4909 -183213.0478 -148937.4472 299.8899 -62.8336 -36.8821 559328.5347 3.1858 3.0513 PRESSURE: 1098200 115.31 9.00283 -222.905 9.00257 120.393 80.8031 -222.906 80.8039 -22.3283 GPRESSURE: 1098200 107.693 -0.417568 -280.907 11.1548 201.764 123.984 -169.945 121.235 -2.51832 PRESSAVG: 1098200 38.918 39.7945 -53.1049 39.7944 -70.3881 100.304 -53.1049 100.304 48.8491 GPRESSAVG: 1098200 38.8072 39.4403 -53.529 41.9739 -70.8603 98.113 -54.8323 99.7402 49.2273 TIMING: 1098200 CPU: 3300.2, 0.00299485/step Wall: 3300.2, 0.00299485/step, 3.24591 hours remaining, 206.628906 MB of memory in use. ENERGY: 1098200 763.6810 2086.9020 1910.3927 100.1374 -206359.3571 18086.1610 0.0000 0.0000 34290.0756 -149122.0072 299.4638 -183412.0828 -149022.3318 299.7914 71.1250 102.3130 557914.6334 5.7930 5.7247 PRESSURE: 1098400 -255.454 10.3809 -155.753 10.3809 -139.776 220.817 -155.752 220.818 -195.888 GPRESSURE: 1098400 -261.672 -44.334 -92.8934 30.6442 -79.2454 122.075 -134.012 292.894 -162.302 PRESSAVG: 1098400 42.7336 -45.3973 -64.6903 -45.3973 -39.2864 -27.9942 -64.6903 -27.9942 -22.3267 GPRESSAVG: 1098400 43.6752 -46.7481 -63.1517 -44.9631 -40.8471 -26.7061 -64.9194 -26.3348 -20.9369 TIMING: 1098400 CPU: 3300.8, 0.00297472/step Wall: 3300.8, 0.00297472/step, 3.22394 hours remaining, 206.628906 MB of memory in use. ENERGY: 1098400 727.8381 2155.2784 1926.1610 108.3152 -205551.1300 17373.7718 0.0000 0.0000 34225.1867 -149034.5789 298.8971 -183259.7656 -148934.3092 299.3455 -197.0395 -167.7396 557907.7857 -6.2932 -6.0362 PRESSURE: 1098600 97.7708 -112.249 -30.9455 -112.249 96.1948 2.44006 -30.9462 2.44121 -25.9713 GPRESSURE: 1098600 144.501 -79.66 -77.7261 -87.4616 121.977 -3.41757 -58.7893 -19.7495 -6.17197 PRESSAVG: 1098600 84.9154 -9.58602 -46.2274 -9.586 37.3958 -2.68012 -46.2273 -2.68012 -127.346 GPRESSAVG: 1098600 84.7453 -8.14157 -45.5691 -10.0039 38.0577 -1.58819 -45.8059 -3.0379 -128.072 TIMING: 1098600 CPU: 3301.39, 0.00298865/step Wall: 3301.39, 0.00298865/step, 3.23886 hours remaining, 206.628906 MB of memory in use. ENERGY: 1098600 725.7312 2108.0084 1928.6489 109.0652 -206216.3951 17902.4669 0.0000 0.0000 34259.7538 -149182.7207 299.1990 -183442.4745 -149089.6203 300.1414 55.9981 86.7689 556120.8341 -1.6784 -1.7565 PRESSURE: 1098800 -159.82 -14.6583 -11.5556 -14.6578 -30.3693 -77.2297 -11.5564 -77.23 96.4525 GPRESSURE: 1098800 -128.021 46.1066 30.6528 -64.6907 9.0354 -49.5201 36.9119 -149.943 114.358 PRESSAVG: 1098800 -103.586 -1.49126 10.7793 -1.49119 50.1426 14.8118 10.7792 14.8117 17.1902 GPRESSAVG: 1098800 -103.133 -1.52881 11.387 -3.39248 50.0064 14.002 10.0821 13.4966 16.8081 TIMING: 1098800 CPU: 3301.99, 0.00298847/step Wall: 3301.99, 0.00298847/step, 3.2385 hours remaining, 206.628906 MB of memory in use. ENERGY: 1098800 750.0041 2061.0439 1928.6886 105.6118 -206109.0758 17761.5006 0.0000 0.0000 34217.3702 -149284.8566 298.8288 -183502.2268 -149186.0805 299.2017 -31.2457 -1.5423 557619.0172 -12.0842 -12.1062 PRESSURE: 1099000 -90.1561 16.1017 88.7976 16.1017 9.56269 78.7171 88.7997 78.7163 227.944 GPRESSURE: 1099000 -160.027 12.334 47.8282 104.136 118.206 32.0759 58.9218 111.843 288.499 PRESSAVG: 1099000 -28.3762 -13.7526 26.666 -13.7527 35.6976 -48.9389 26.666 -48.939 -21.1754 GPRESSAVG: 1099000 -28.9203 -14.4814 23.5313 -11.5816 36.3374 -48.9529 28.0029 -46.7174 -21.4217 TIMING: 1099000 CPU: 3302.59, 0.00296997/step Wall: 3302.59, 0.00296997/step, 3.21829 hours remaining, 206.628906 MB of memory in use. ENERGY: 1099000 717.6064 2082.8176 1954.1433 106.7733 -206498.1636 18019.8053 0.0000 0.0000 34370.4067 -149246.6111 300.1653 -183617.0177 -149146.6918 299.0189 49.1169 82.2259 556925.3342 -4.6180 -4.6682 PRESSURE: 1099200 165.686 18.09 8.98338 18.0895 23.6297 -90.177 8.98375 -90.175 -111.696 GPRESSURE: 1099200 197.171 49.5685 -56.2119 -35.0009 50.4372 -101.648 -143.187 -45.4246 -62.9197 PRESSAVG: 1099200 27.914 40.9401 -28.0031 40.9401 41.4076 -27.7129 -28.0031 -27.7129 -62.2296 GPRESSAVG: 1099200 27.783 39.6936 -27.6197 40.9771 41.645 -27.7376 -28.9753 -26.7738 -62.3733 TIMING: 1099200 CPU: 3303.18, 0.00298832/step Wall: 3303.18, 0.00298832/step, 3.23801 hours remaining, 206.628906 MB of memory in use. ENERGY: 1099200 730.0581 2064.7586 1951.1442 114.3207 -206163.7964 17717.1594 0.0000 0.0000 34371.4771 -149214.8783 300.1747 -183586.3554 -149111.7639 299.3821 25.8733 61.5629 556682.4416 2.3640 2.3516 PRESSURE: 1099400 75.32 33.2031 -14.4649 33.2027 124.117 33.7788 -14.4652 33.7777 -6.35233 GPRESSURE: 1099400 175.397 29.0528 44.2765 126.691 101.938 82.8212 -76.3578 21.0258 14.3647 PRESSAVG: 1099400 -55.8193 44.2559 10.6401 44.256 78.9381 -28.642 10.6401 -28.642 -12.1312 GPRESSAVG: 1099400 -56.4136 47.3372 13.1204 42.639 78.6373 -28.7618 8.06511 -30.8812 -11.7416 TIMING: 1099400 CPU: 3303.78, 0.0029985/step Wall: 3303.78, 0.0029985/step, 3.24888 hours remaining, 206.628906 MB of memory in use. ENERGY: 1099400 732.3647 2071.7245 1902.6196 112.9022 -206506.8646 18019.6523 0.0000 0.0000 34431.2697 -149236.3315 300.6968 -183667.6013 -149138.1509 299.4514 64.3617 97.2334 556601.3432 3.6626 3.4940 PRESSURE: 1099600 -27.198 42.4162 18.2306 42.4174 -16.1415 -19.4853 18.2299 -19.4871 140.785 GPRESSURE: 1099600 -1.323 3.93756 36.2632 98.0325 0.207113 -54.9886 -6.14168 53.0371 200.287 PRESSAVG: 1099600 6.3246 23.573 -22.053 23.5729 -56.0387 52.2037 -22.0531 52.2037 34.7402 GPRESSAVG: 1099600 4.52673 23.4328 -21.9296 23.9302 -54.8464 54.7852 -18.6852 52.141 35.0924 TIMING: 1099600 CPU: 3304.38, 0.0029786/step Wall: 3304.38, 0.0029786/step, 3.22715 hours remaining, 206.628906 MB of memory in use. ENERGY: 1099600 738.2743 2052.5587 1942.0175 116.8152 -206333.7312 17954.7378 0.0000 0.0000 34322.1510 -149207.1766 299.7439 -183529.3277 -149120.3159 299.5223 32.4817 66.3905 557465.9539 -4.9913 -5.0757 PRESSURE: 1099800 -160.341 -74.9097 -15.619 -74.9095 15.4989 37.4809 -15.6193 37.4816 169.976 GPRESSURE: 1099800 -145.184 -50.8089 53.0395 -17.7626 56.3173 64.8727 -112.54 46.9532 209.541 PRESSAVG: 1099800 -23.7696 -38.6488 -4.05788 -38.6488 8.34419 -1.30327 -4.05787 -1.30334 51.2277 GPRESSAVG: 1099800 -23.0216 -40.3022 -5.45036 -39.3095 6.94692 -3.02972 -5.27242 -0.0366177 52.0254 TIMING: 1099800 CPU: 3304.97, 0.00295742/step Wall: 3304.97, 0.00295742/step, 3.20404 hours remaining, 206.628906 MB of memory in use. ENERGY: 1099800 735.6633 2134.2118 1930.9002 110.5786 -206198.9214 17865.6718 0.0000 0.0000 34322.2927 -149099.6029 299.7451 -183421.8956 -149002.3599 299.4902 8.3782 40.2249 557722.0816 11.9341 11.9836 PRESSURE: 1100000 -127.981 -30.0227 90.3603 -30.0231 -55.7852 32.687 90.3587 32.686 -129.97 GPRESSURE: 1100000 -118.688 -31.2692 122.189 0.990293 -35.5543 -24.4015 96.8966 99.2982 -60.2747 PRESSAVG: 1100000 -31.3804 0.901916 20.9508 0.901904 -15.5104 -16.2817 20.9508 -16.2817 57.2416 GPRESSAVG: 1100000 -31.6476 1.86115 21.3678 0.51547 -14.8961 -17.7352 19.8843 -16.3314 57.3153 TIMING: 1100000 CPU: 3305.56, 0.00297288/step Wall: 3305.56, 0.00297288/step, 3.22062 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: 1100000 774.9230 2131.3097 1909.6325 118.4540 -205830.0042 17611.1958 0.0000 0.0000 34270.8919 -149013.5973 299.2962 -183284.4892 -148927.3828 300.2743 -104.5788 -71.5057 558170.0115 3.4503 3.5905 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1100000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 1100000 WRITING COORDINATES TO RESTART FILE AT STEP 1100000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1100200 69.1853 21.1242 2.38031 21.1258 -111.113 37.8359 2.38194 37.8362 -172.12 GPRESSURE: 1100200 103.969 -46.4065 -53.1122 53.6762 -100.457 -20.4481 14.1626 -20.8644 -138.985 PRESSAVG: 1100200 32.8541 18.4516 40.1275 18.4515 -76.303 -38.6837 40.1274 -38.6837 44.8708 GPRESSAVG: 1100200 33.63 17.8248 41.262 20.1789 -76.2579 -37.3036 41.9061 -39.7654 44.4711 TIMING: 1100200 CPU: 3306.22, 0.00327067/step Wall: 3306.22, 0.00327067/step, 3.54304 hours remaining, 206.753906 MB of memory in use. ENERGY: 1100200 750.6443 2089.4354 1906.5409 113.8728 -206046.7735 17760.2968 0.0000 0.0000 34329.7220 -149096.2612 299.8100 -183425.9832 -149002.5301 299.4647 -71.3491 -45.1576 557847.5412 0.4740 0.6144 LDB: ============= START OF LOAD BALANCING ============== 3309.73 LDB: ============== END OF LOAD BALANCING =============== 3309.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3309.73 LDB: ============= START OF LOAD BALANCING ============== 3310.03 LDB: Largest compute 4794 load 0.026691 is 22.6% of average load 0.117860 LDB: Average compute 0.001736 is 1.5% of average load 0.117860 LDB: TIME 3310.03 LOAD: AVG 0.11786 MAX 0.210196 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.734 MB LDB: TIME 3310.03 LOAD: AVG 0.11786 MAX 0.210196 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.938 MB LDB: TIME 3310.03 LOAD: AVG 0.11786 MAX 0.210196 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.938 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3310.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3310.04 PRESSURE: 1100400 37.8015 -12.2901 15.7787 -12.2899 -58.5751 147.548 15.7786 147.547 -226.249 GPRESSURE: 1100400 55.785 -68.0881 123.061 -15.7115 -65.4753 90.8616 54.1142 137.785 -133.184 PRESSAVG: 1100400 -4.85482 -17.9707 -50.3214 -17.9708 10.3873 27.8555 -50.3215 27.8554 -9.56517 GPRESSAVG: 1100400 -5.66203 -16.3235 -51.0501 -18.766 10.6898 26.8545 -51.5773 28.8673 -9.31964 TIMING: 1100400 CPU: 3306.82, 0.00302904/step Wall: 3306.82, 0.00302904/step, 3.28112 hours remaining, 208.539062 MB of memory in use. ENERGY: 1100400 734.0181 2081.4340 1931.9003 116.9740 -205994.1193 17670.3980 0.0000 0.0000 34337.2981 -149122.0968 299.8762 -183459.3949 -149027.5573 299.2432 -82.3409 -47.6247 558111.3381 -1.3442 -1.4306 PRESSURE: 1100600 38.0666 89.4185 -65.4578 89.4193 -0.151679 -83.5247 -65.4558 -83.5262 64.1212 GPRESSURE: 1100600 75.5647 95.9301 -65.635 36.9055 37.3553 -86.831 42.2807 -67.859 95.6977 PRESSAVG: 1100600 -42.2964 -73.3776 -23.9989 -73.3776 19.5784 -0.473963 -23.9989 -0.47403 43.6207 GPRESSAVG: 1100600 -42.0759 -73.5372 -23.4351 -73.628 19.6776 1.03672 -23.2754 -0.960323 43.2173 TIMING: 1100600 CPU: 3307.42, 0.00300289/step Wall: 3307.42, 0.00300289/step, 3.25264 hours remaining, 208.742188 MB of memory in use. ENERGY: 1100600 753.1993 2098.6579 1901.1937 117.4761 -206097.1052 17872.4738 0.0000 0.0000 34286.9604 -149067.1440 299.4366 -183354.1044 -148973.2154 298.9333 34.0120 69.5392 557198.8259 6.9676 6.9397 PRESSURE: 1100800 -222.227 -20.4878 -7.43762 -20.4884 -376.187 17.9997 -7.43806 17.998 8.65191 GPRESSURE: 1100800 -178.612 33.1578 -25.0016 -122.328 -286.852 54.6269 -18.0065 -2.35808 -19.3381 PRESSAVG: 1100800 -9.96167 -26.4129 -12.4666 -26.413 -0.639254 17.3655 -12.4666 17.3654 -1.07025 GPRESSAVG: 1100800 -11.0509 -28.8811 -11.004 -27.1648 0.956146 16.4762 -14.7766 18.0408 -1.1289 TIMING: 1100800 CPU: 3308.02, 0.0030001/step Wall: 3308.02, 0.0030001/step, 3.24944 hours remaining, 208.742188 MB of memory in use. ENERGY: 1100800 769.6975 2116.6263 1926.3538 120.3966 -205819.8037 17498.1694 0.0000 0.0000 34417.3985 -148971.1618 300.5757 -183388.5603 -148871.0119 299.6404 -196.5874 -161.6008 556690.6452 -3.8904 -3.7412 PRESSURE: 1101000 79.1201 56.4217 -72.7179 56.4214 146.893 1.1295 -72.7165 1.13121 0.766672 GPRESSURE: 1101000 86.8961 15.1979 -182.354 35.4855 115.382 71.1491 -34.1836 -10.7552 117.857 PRESSAVG: 1101000 -4.83017 -5.69715 -39.0774 -5.69707 63.7157 24.1282 -39.0774 24.1282 -38.2929 GPRESSAVG: 1101000 -4.62845 -3.35374 -40.6297 -5.89603 61.8726 23.7998 -37.5446 25.6612 -37.0685 TIMING: 1101000 CPU: 3308.63, 0.00301537/step Wall: 3308.63, 0.00301537/step, 3.26581 hours remaining, 208.742188 MB of memory in use. ENERGY: 1101000 744.3097 2067.3987 1925.3295 117.9172 -206030.1993 17886.7701 0.0000 0.0000 34210.8334 -149077.6407 298.7717 -183288.4740 -148984.1678 299.9924 75.5932 106.7116 557425.8671 6.8642 6.7252 PRESSURE: 1101200 -10.4703 -58.6815 -94.3018 -58.6807 -214.427 -89.7704 -94.302 -89.7703 -60.5923 GPRESSURE: 1101200 15.2129 -48.9526 -123.976 -141.028 -129.996 -41.3095 -74.8317 -95.5896 -67.7433 PRESSAVG: 1101200 15.0175 -1.77466 -26.8192 -1.77467 34.1587 33.7758 -26.8193 33.7758 -39.4391 GPRESSAVG: 1101200 15.2608 -2.87904 -26.4742 -2.27242 34.397 34.1138 -26.508 29.8945 -40.5186 TIMING: 1101200 CPU: 3309.23, 0.00301087/step Wall: 3309.23, 0.00301087/step, 3.26077 hours remaining, 208.742188 MB of memory in use. ENERGY: 1101200 734.4079 2035.3431 1927.1430 102.3380 -206292.8478 17651.3242 0.0000 0.0000 34477.6691 -149364.6223 301.1021 -183842.2914 -149265.5561 299.4732 -95.1632 -60.8421 556993.6413 3.2457 3.0464 PRESSURE: 1101400 -166.666 164.9 -41.9221 164.9 -34.5222 89.8492 -41.9225 89.8502 -129.045 GPRESSURE: 1101400 -171.159 158.681 -33.7193 167.33 0.898513 102.821 -14.4301 103.245 -51.6235 PRESSAVG: 1101400 -46.3709 -44.8411 -4.38927 -44.8411 6.69592 -9.79874 -4.38923 -9.79865 30.4841 GPRESSAVG: 1101400 -45.8682 -46.0472 -5.74163 -42.7027 6.32117 -9.77346 -4.34389 -8.76539 30.5268 TIMING: 1101400 CPU: 3309.84, 0.00302908/step Wall: 3309.84, 0.00302908/step, 3.28032 hours remaining, 208.742188 MB of memory in use. ENERGY: 1101400 720.4958 2119.6664 1903.5581 102.6008 -206192.2618 17586.0495 0.0000 0.0000 34436.3505 -149323.5407 300.7412 -183759.8912 -149225.2539 300.0440 -110.0777 -73.9613 556406.3621 -3.0636 -3.0067 PRESSURE: 1101600 -154.316 137.295 132.45 137.296 84.5714 -173.74 132.45 -173.741 43.812 GPRESSURE: 1101600 -142.305 188.713 106.208 -6.41324 103.273 -177.128 76.7514 -194.786 102.935 PRESSAVG: 1101600 18.4514 6.96375 -14.5181 6.96382 -37.385 -12.7851 -14.518 -12.7852 -20.2711 GPRESSAVG: 1101600 18.7242 6.40116 -12.9347 5.23143 -38.3381 -12.8242 -16.1323 -13.8347 -19.4386 TIMING: 1101600 CPU: 3310.44, 0.00303329/step Wall: 3310.44, 0.00303329/step, 3.28471 hours remaining, 208.742188 MB of memory in use. ENERGY: 1101600 741.4452 2113.5811 1892.5196 101.5279 -206361.8867 17893.8081 0.0000 0.0000 34097.1407 -149521.8642 297.7788 -183619.0048 -149431.4663 298.9899 -8.6441 21.3011 557192.8190 -13.0682 -13.0175 PRESSURE: 1101800 -135.211 68.4778 190.353 68.48 -187.275 172.082 190.353 172.082 -50.2936 GPRESSURE: 1101800 -127.945 -6.21459 78.9938 76.2785 -165.271 39.6126 226.037 184.532 31.5691 PRESSAVG: 1101800 -46.3867 -5.55909 25.3949 -5.55904 84.52 0.647998 25.395 0.647937 16.5206 GPRESSAVG: 1101800 -47.6389 -5.40541 23.3663 -2.00348 85.1056 -1.3418 28.2785 1.97864 17.426 TIMING: 1101800 CPU: 3311.04, 0.00300784/step Wall: 3311.04, 0.00300784/step, 3.25699 hours remaining, 208.742188 MB of memory in use. ENERGY: 1101800 755.9619 2065.4324 1930.3214 118.9985 -206395.3971 17835.8897 0.0000 0.0000 34288.8544 -149399.9389 299.4531 -183688.7933 -149302.9553 298.7795 -124.2599 -87.2160 557775.1958 18.2180 18.2976 PRESSURE: 1102000 128.19 31.6483 -168.563 31.6478 -47.7242 -47.8092 -168.565 -47.8088 17.3087 GPRESSURE: 1102000 177.678 -52.1654 -198.007 100.958 -33.2438 -107.949 -104.611 -60.6994 60.2305 PRESSAVG: 1102000 -10.7661 22.9892 9.29599 22.9893 25.3798 -1.05327 9.29605 -1.05313 21.0392 GPRESSAVG: 1102000 -9.75503 22.4766 9.48217 21.7721 25.5782 1.84053 8.81951 -4.17544 20.9511 TIMING: 1102000 CPU: 3311.65, 0.00300977/step Wall: 3311.65, 0.00300977/step, 3.25891 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: 1102000 767.5080 2069.5206 1904.9718 121.3428 -206337.4977 17744.7558 0.0000 0.0000 34392.8582 -149336.5405 300.3614 -183729.3988 -149243.4659 299.2250 32.5915 68.2215 556322.3988 11.8843 12.2581 PRESSURE: 1102200 -72.2122 97.3798 52.8359 97.3796 -59.7701 39.5064 52.8345 39.5082 -79.8915 GPRESSURE: 1102200 -53.9193 68.8971 0.730139 47.6911 -44.5861 22.3726 113.336 112.504 -23.1338 PRESSAVG: 1102200 20.2537 -20.683 -68.0051 -20.683 -7.07978 -27.3479 -68.0052 -27.3479 -25.2727 GPRESSAVG: 1102200 19.2743 -19.9955 -65.5306 -19.6764 -7.89923 -27.6858 -68.6287 -25.2824 -23.8946 TIMING: 1102200 CPU: 3312.25, 0.00300553/step Wall: 3312.25, 0.00300553/step, 3.25415 hours remaining, 208.742188 MB of memory in use. ENERGY: 1102200 749.5978 2153.8890 1898.7338 112.3856 -206604.5891 17739.2804 0.0000 0.0000 34506.0665 -149444.6360 301.3501 -183950.7025 -149351.4560 299.0979 -70.6246 -40.5464 556334.0242 -4.0329 -4.1732 PRESSURE: 1102400 -98.0463 114.4 92.3232 114.399 105.077 -126.689 92.3244 -126.691 269.907 GPRESSURE: 1102400 -77.813 149.978 -23.5414 129.656 124.382 -147.93 149.454 -139.788 328.851 PRESSAVG: 1102400 -8.40992 8.41103 23.644 8.41112 -8.33436 -34.9672 23.644 -34.9672 41.5777 GPRESSAVG: 1102400 -6.98616 9.36255 21.5677 8.33898 -7.51721 -37.9618 24.7414 -34.8642 39.2049 TIMING: 1102400 CPU: 3312.85, 0.00298985/step Wall: 3312.85, 0.00298985/step, 3.23702 hours remaining, 208.742188 MB of memory in use. ENERGY: 1102400 758.3183 2020.1792 1919.9599 119.8886 -206461.3995 18045.2036 0.0000 0.0000 34260.7938 -149337.0560 299.2080 -183597.8499 -149239.5264 299.0132 92.3128 125.1401 558247.2356 8.2778 8.2338 PRESSURE: 1102600 -5.3668 20.8883 131.059 20.8894 -69.3621 25.8691 131.059 25.8693 232.186 GPRESSURE: 1102600 69.5126 11.0817 77.9865 37.2255 4.65352 52.6538 242.451 63.7914 177.801 PRESSAVG: 1102600 3.86456 44.6068 47.5031 44.6068 15.4794 -64.9306 47.5031 -64.9305 -17.8266 GPRESSAVG: 1102600 3.90297 42.1243 46.1831 44.5307 15.6938 -64.6705 48.3885 -65.3197 -17.8487 TIMING: 1102600 CPU: 3313.45, 0.00300003/step Wall: 3313.45, 0.00300003/step, 3.24787 hours remaining, 208.742188 MB of memory in use. ENERGY: 1102600 763.5986 2059.5527 1919.6471 114.6276 -206757.0994 18052.5438 0.0000 0.0000 34456.7744 -149390.3551 300.9196 -183847.1296 -149291.5304 298.6894 52.4857 83.9889 558327.0513 0.5058 0.5827 PRESSURE: 1102800 79.5391 -39.9617 -16.3709 -39.9627 -92.9364 -14.797 -16.3703 -14.7972 83.7578 GPRESSURE: 1102800 111.27 -109.801 42.6237 52.4885 -45.4353 -16.0935 -4.37568 -26.6435 89.5387 PRESSAVG: 1102800 -42.7543 -16.999 27.3526 -16.999 6.8499 4.1226 27.3525 4.12262 -21.7866 GPRESSAVG: 1102800 -41.7586 -13.923 30.4813 -18.4228 6.95396 5.48622 26.2375 4.31283 -21.7805 TIMING: 1102800 CPU: 3314.05, 0.00301483/step Wall: 3314.05, 0.00301483/step, 3.26372 hours remaining, 208.742188 MB of memory in use. ENERGY: 1102800 738.2804 2133.1310 1927.5923 115.7297 -206353.4141 17921.8949 0.0000 0.0000 34271.0043 -149245.7815 299.2972 -183516.7858 -149145.2106 299.5309 23.4535 51.7910 557237.7418 -19.2303 -18.8617 PRESSURE: 1103000 -168.916 -62.4923 79.4784 -62.4923 -63.0715 88.0597 79.4791 88.0614 -161.911 GPRESSURE: 1103000 -138.571 -119.591 22.8129 -50.8479 -8.33969 75.5607 81.64 79.2479 -142.488 PRESSAVG: 1103000 62.9758 -54.09 -15.1237 -54.0901 26.1001 42.2428 -15.1237 42.2428 -14.5401 GPRESSAVG: 1103000 62.4635 -54.3449 -17.8154 -55.5382 25.5561 40.9545 -16.5216 41.9516 -13.3073 TIMING: 1103000 CPU: 3314.65, 0.00302491/step Wall: 3314.65, 0.00302491/step, 3.27446 hours remaining, 208.742188 MB of memory in use. ENERGY: 1103000 739.8161 2143.4233 1932.4947 114.5968 -206428.6658 17769.0008 0.0000 0.0000 34495.0116 -149234.3224 301.2535 -183729.3341 -149130.6217 299.2400 -131.2993 -96.4662 558744.8703 24.8453 24.9041 PRESSURE: 1103200 -73.7667 -2.75064 -27.3566 -2.75145 82.8387 76.714 -27.3569 76.7142 -457.425 GPRESSURE: 1103200 -3.22178 62.7853 -133.25 -92.624 124.969 66.8241 31.5494 162.532 -465.961 PRESSAVG: 1103200 -17.0536 -48.1998 34.5065 -48.1998 50.6148 32.9663 34.5065 32.9661 -34.7409 GPRESSAVG: 1103200 -16.3495 -48.5636 36.7582 -47.4509 51.56 33.5026 35.2101 33.3538 -36.5896 TIMING: 1103200 CPU: 3315.26, 0.00303592/step Wall: 3315.26, 0.00303592/step, 3.28621 hours remaining, 208.742188 MB of memory in use. ENERGY: 1103200 805.2250 2040.8343 1937.4924 105.6599 -206119.2287 17745.4888 0.0000 0.0000 34122.9939 -149361.5344 298.0046 -183484.5283 -149263.5893 298.7394 -149.4511 -114.7381 557767.4126 -0.3932 -0.4597 PRESSURE: 1103400 73.8719 -49.7135 -74.6001 -49.7138 -113.683 -42.8965 -74.599 -42.8968 52.4661 GPRESSURE: 1103400 70.2801 -13.3089 -55.2344 -90.8538 -80.3419 -78.9763 -105.77 -63.6269 127.809 PRESSAVG: 1103400 27.8361 -13.7948 -21.9926 -13.7948 17.365 -14.1773 -21.9927 -14.1773 -20.6582 GPRESSAVG: 1103400 27.3358 -15.4507 -23.5156 -11.9787 16.2148 -14.511 -21.754 -12.8703 -18.6367 TIMING: 1103400 CPU: 3315.87, 0.003032/step Wall: 3315.87, 0.003032/step, 3.28181 hours remaining, 208.742188 MB of memory in use. ENERGY: 1103400 739.4706 2121.2806 1937.0488 112.1452 -206475.4510 17882.2498 0.0000 0.0000 34218.8904 -149464.3657 298.8421 -183683.2560 -149370.1934 299.2054 4.2183 39.2492 557351.0511 8.1810 8.3046 PRESSURE: 1103600 71.4265 -126.047 -21.3182 -126.046 196.714 -36.2456 -21.3192 -36.2456 256.454 GPRESSURE: 1103600 73.3491 -209.444 -113.212 -99.7916 198.479 19.2109 -68.4932 -52.4203 349.399 PRESSAVG: 1103600 -25.7753 19.5981 -83.8012 19.5981 62.2446 38.4376 -83.8013 38.4377 -4.94389 GPRESSAVG: 1103600 -25.4454 21.5929 -85.0609 16.1431 63.0425 39.2596 -82.5011 38.9305 -5.46309 TIMING: 1103600 CPU: 3316.47, 0.00301795/step Wall: 3316.47, 0.00301795/step, 3.26642 hours remaining, 208.742188 MB of memory in use. ENERGY: 1103600 737.0936 2145.2506 1914.3275 121.5388 -206822.1652 18087.1409 0.0000 0.0000 34395.8274 -149420.9864 300.3873 -183816.8138 -149322.7711 299.1269 174.8650 207.0756 556447.7543 10.5085 10.7113 PRESSURE: 1103800 -79.6265 41.3522 -63.8618 41.3505 -120.25 231.096 -63.8619 231.095 -128.92 GPRESSURE: 1103800 -10.0072 -19.3475 -119.425 55.4895 -101.471 171.052 21.9179 192.337 -123.444 PRESSAVG: 1103800 -81.8848 -5.76143 -28.5931 -5.76153 38.1376 5.42818 -28.5931 5.42816 38.4838 GPRESSAVG: 1103800 -81.3565 -7.58997 -27.199 -3.34022 37.1168 6.66887 -29.4782 3.63271 38.093 TIMING: 1103800 CPU: 3317.07, 0.00300926/step Wall: 3317.07, 0.00300926/step, 3.25685 hours remaining, 208.742188 MB of memory in use. ENERGY: 1103800 763.8437 2117.2908 1945.5923 105.5670 -206391.3220 17769.3462 0.0000 0.0000 34339.3715 -149350.3103 299.8943 -183689.6818 -149251.1209 299.4912 -109.5989 -78.3076 558479.4604 -1.7545 -2.0489 PRESSURE: 1104000 -283.683 -19.1281 -33.4693 -19.1287 -36.9282 -138.33 -33.4702 -138.33 80.0587 GPRESSURE: 1104000 -240.185 27.049 -72.3494 -9.86699 14.2178 -146.655 -30.3418 -209.228 85.3636 PRESSAVG: 1104000 -58.9123 -37.8206 -14.7107 -37.8208 52.622 6.14358 -14.7107 6.14348 -5.14378 GPRESSAVG: 1104000 -59.3434 -35.1969 -13.0492 -39.5729 54.2529 4.49221 -13.7534 7.82697 -6.54342 TIMING: 1104000 CPU: 3317.68, 0.00303754/step Wall: 3317.68, 0.00303754/step, 3.28729 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: 1104000 729.7788 2161.2349 1909.8922 115.2510 -206288.0816 17727.3389 0.0000 0.0000 34177.0592 -149467.5267 298.4768 -183644.5858 -149371.6450 298.8919 -80.1842 -46.8679 558914.0232 -3.8113 -3.8780 PRESSURE: 1104200 -3.04569 -119.034 32.9814 -119.034 4.549 202.39 32.9813 202.392 76.5178 GPRESSURE: 1104200 0.900035 -17.0569 142.495 -69.4393 56.4782 179.307 -22.8551 142.893 121.417 PRESSAVG: 1104200 6.55282 -8.72833 -4.56272 -8.72837 -10.8292 -36.0997 -4.56268 -36.0997 23.2955 GPRESSAVG: 1104200 6.40957 -7.704 -4.23247 -10.6264 -11.4152 -36.6287 -6.16672 -36.6527 23.4395 TIMING: 1104200 CPU: 3318.29, 0.00307288/step Wall: 3318.29, 0.00307288/step, 3.32537 hours remaining, 208.742188 MB of memory in use. ENERGY: 1104200 748.8959 2071.8564 1955.8249 101.5569 -206211.5788 17826.2444 0.0000 0.0000 34240.5651 -149266.6352 299.0314 -183507.2002 -149167.7499 298.9072 26.0071 59.5983 557973.2339 6.3397 6.1446 LDB: ============= START OF LOAD BALANCING ============== 3321.81 LDB: ============== END OF LOAD BALANCING =============== 3321.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3321.82 LDB: ============= START OF LOAD BALANCING ============== 3322.12 LDB: Largest compute 4794 load 0.026435 is 22.4% of average load 0.117853 LDB: Average compute 0.001734 is 1.5% of average load 0.117853 LDB: TIME 3322.12 LOAD: AVG 0.117853 MAX 0.210579 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.574 MB LDB: TIME 3322.12 LOAD: AVG 0.117853 MAX 0.210579 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.777 MB LDB: TIME 3322.12 LOAD: AVG 0.117853 MAX 0.210579 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.777 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3322.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3322.13 PRESSURE: 1104400 10.8112 -133.055 35.2006 -133.056 -3.2207 -0.86744 35.2015 -0.865845 -274.041 GPRESSURE: 1104400 51.4942 -44.1843 -14.7512 -162.052 13.2424 -47.2605 64.6548 25.6937 -236.152 PRESSAVG: 1104400 11.0327 -9.54786 59.5819 -9.54786 5.3454 -21.8323 59.5819 -21.8323 1.44172 GPRESSAVG: 1104400 11.5539 -10.5198 57.993 -4.83771 5.15742 -20.7636 60.3752 -22.215 1.17577 TIMING: 1104400 CPU: 3318.91, 0.0030862/step Wall: 3318.91, 0.0030862/step, 3.33962 hours remaining, 207.968750 MB of memory in use. ENERGY: 1104400 766.1790 2048.5812 1954.5105 105.1245 -205953.4054 17766.0732 0.0000 0.0000 34213.9121 -149099.0249 298.7986 -183312.9370 -149002.7051 299.1688 -88.8168 -57.1383 558202.0474 5.9399 5.9624 PRESSURE: 1104600 216.349 -70.7846 50.8632 -70.7863 25.5487 -78.8742 50.8637 -78.8732 399.375 GPRESSURE: 1104600 284.871 -26.7075 32.5471 -95.4044 90.84 -121.3 57.0058 -138.313 367.427 PRESSAVG: 1104600 -45.7583 7.96828 -1.72069 7.96821 -44.3205 3.62356 -1.72061 3.62353 34.0529 GPRESSAVG: 1104600 -46.7487 6.09759 -2.22738 5.5501 -44.1582 3.73814 -1.30941 2.26776 35.4139 TIMING: 1104600 CPU: 3319.52, 0.00303223/step Wall: 3319.52, 0.00303223/step, 3.28104 hours remaining, 207.968750 MB of memory in use. ENERGY: 1104600 749.4377 2043.4478 1938.8831 112.7595 -206379.4983 18132.3400 0.0000 0.0000 34329.2689 -149073.3611 299.8060 -183402.6301 -148978.2051 299.4411 213.7574 247.7126 557127.6167 -18.6753 -18.4977 PRESSURE: 1104800 -44.0863 85.4633 137.526 85.4628 -260.114 12.9842 137.526 12.9859 -224.926 GPRESSURE: 1104800 -13.7228 96.3944 223.402 49.2518 -225.856 -14.7688 140.889 2.80215 -205.009 PRESSAVG: 1104800 38.6457 -10.4374 17.4235 -10.4374 -6.04313 3.51261 17.4235 3.51267 2.29112 GPRESSAVG: 1104800 40.0906 -9.40069 19.2478 -10.4883 -5.79653 2.31209 16.7776 4.36993 0.830972 TIMING: 1104800 CPU: 3320.13, 0.00304353/step Wall: 3320.13, 0.00304353/step, 3.2931 hours remaining, 207.968750 MB of memory in use. ENERGY: 1104800 776.3710 2061.3659 1908.4946 121.2372 -205650.4174 17368.8830 0.0000 0.0000 34319.5459 -149094.5197 299.7211 -183414.0656 -149002.7742 299.9076 -176.3756 -148.1962 557678.9741 11.6312 11.7083 PRESSURE: 1105000 120.765 24.6819 -33.2358 24.6819 -11.5289 153.515 -33.2362 153.515 46.7024 GPRESSURE: 1105000 130.41 42.3937 -62.4097 52.6213 39.7154 135.605 -9.38238 187.128 82.0832 PRESSAVG: 1105000 35.0954 -3.68739 10.2138 -3.68738 -37.1115 -16.1216 10.2138 -16.1214 -2.06706 GPRESSAVG: 1105000 34.4508 -2.82514 7.21867 -5.46194 -38.3277 -17.2478 10.7693 -15.436 -0.235074 TIMING: 1105000 CPU: 3320.73, 0.00303025/step Wall: 3320.73, 0.00303025/step, 3.27857 hours remaining, 207.968750 MB of memory in use. ENERGY: 1105000 723.3512 2120.2304 1916.4495 106.2954 -205996.4832 17801.8343 0.0000 0.0000 34312.8397 -149015.4827 299.6626 -183328.3224 -148915.5613 300.1007 51.9796 84.0696 557883.4258 -1.3610 -1.3707 PRESSURE: 1105200 91.7038 98.3944 33.0582 98.3946 45.3008 96.3159 33.057 96.3156 147.083 GPRESSURE: 1105200 164.763 87.7861 44.2581 126.574 62.426 146.393 27.7414 55.7023 155.53 PRESSAVG: 1105200 8.26419 -11.6562 16.5013 -11.6563 -52.6164 22.781 16.5013 22.7811 48.7302 GPRESSAVG: 1105200 7.80331 -13.4296 17.9089 -10.6241 -51.1694 25.3986 15.7975 22.805 48.1187 TIMING: 1105200 CPU: 3321.34, 0.00304125/step Wall: 3321.34, 0.00304125/step, 3.2903 hours remaining, 207.968750 MB of memory in use. ENERGY: 1105200 762.8143 2114.7530 1920.4145 113.4634 -206436.5911 17979.8069 0.0000 0.0000 34303.2519 -149242.0871 299.5788 -183545.3390 -149148.3750 299.7519 94.6959 127.5731 556895.0622 1.4593 1.5842 PRESSURE: 1105400 31.8613 -28.5536 137.3 -28.5534 -141.402 -5.43761 137.299 -5.43755 -64.4403 GPRESSURE: 1105400 63.0567 1.70204 94.5531 -27.7556 -125.157 -150.02 119.23 29.1731 -12.8484 PRESSAVG: 1105400 -8.97896 -2.30207 12.7914 -2.302 -16.0788 23.2033 12.7914 23.2032 42.7367 GPRESSAVG: 1105400 -8.1148 -2.39479 12.9359 -1.29478 -16.79 21.5559 12.5114 23.2987 42.431 TIMING: 1105400 CPU: 3321.95, 0.00305357/step Wall: 3321.95, 0.00305357/step, 3.30346 hours remaining, 207.968750 MB of memory in use. ENERGY: 1105400 733.2470 2057.0505 1935.8497 104.5265 -205754.4388 17560.6772 0.0000 0.0000 34111.6293 -149251.4585 297.9053 -183363.0878 -149146.3073 299.5683 -57.9938 -24.9830 558501.5620 5.8930 5.8421 PRESSURE: 1105600 -246.145 -3.99207 -68.6697 -3.99207 -158.131 96.624 -68.6683 96.6243 -78.8243 GPRESSURE: 1105600 -221.14 -39.4312 -161.552 27.8712 -85.2611 91.5042 -14.9667 -5.43906 -78.0188 PRESSAVG: 1105600 18.0341 -53.3748 15.4137 -53.3748 -5.10293 48.7744 15.4136 48.7744 -68.8425 GPRESSAVG: 1105600 16.4645 -54.2716 14.0037 -54.6699 -3.82974 49.0709 14.5799 48.0632 -68.6033 TIMING: 1105600 CPU: 3322.56, 0.00304096/step Wall: 3322.56, 0.00304096/step, 3.28964 hours remaining, 207.968750 MB of memory in use. ENERGY: 1105600 782.1371 2080.6808 1932.1155 118.8892 -206109.2165 17539.4306 0.0000 0.0000 34288.9310 -149367.0322 299.4538 -183655.9632 -149267.9382 299.0974 -161.0334 -128.1399 557893.5066 -18.6371 -18.6562 PRESSURE: 1105800 127.595 -10.6574 39.7774 -10.6575 19.562 24.0741 39.7776 24.0745 118.011 GPRESSURE: 1105800 159.26 -63.4126 51.4334 63.4187 74.3028 44.3662 24.8883 13.0746 141.919 PRESSAVG: 1105800 -21.7345 -40.2708 -24.258 -40.2706 21.9164 23.6327 -24.258 23.6328 49.8723 GPRESSAVG: 1105800 -19.9897 -39.5753 -22.9501 -39.5091 20.8707 23.6424 -24.1596 25.8145 48.9654 TIMING: 1105800 CPU: 3323.16, 0.00302215/step Wall: 3323.16, 0.00302215/step, 3.26912 hours remaining, 207.968750 MB of memory in use. ENERGY: 1105800 717.2907 2107.3053 1939.0751 107.4588 -206165.9110 17858.2595 0.0000 0.0000 34116.2228 -149320.2988 297.9455 -183436.5216 -149223.1686 299.2274 88.3891 125.1606 557940.9602 16.6847 16.6155 PRESSURE: 1106000 -273.195 -180.195 -28.3162 -180.193 -118.772 -82.7695 -28.3171 -82.768 0.893439 GPRESSURE: 1106000 -198.211 -181.224 -25.4661 -225.651 -78.8595 4.99276 -75.233 -128.032 -20.0898 PRESSAVG: 1106000 -8.09733 -26.4093 -12.966 -26.4093 55.4316 -23.9363 -12.9661 -23.9363 -20.6787 GPRESSAVG: 1106000 -8.41232 -25.2405 -12.6885 -26.0061 56.1122 -24.2451 -11.3267 -24.609 -21.3868 TIMING: 1106000 CPU: 3323.77, 0.0030466/step Wall: 3323.77, 0.0030466/step, 3.29541 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: 1106000 728.8156 2089.9678 1932.5954 130.2261 -206048.2167 17635.1865 0.0000 0.0000 34228.6499 -149302.7754 298.9273 -183531.4253 -149207.3554 299.4369 -130.3581 -99.0534 559919.3684 8.8852 8.7710 PRESSURE: 1106200 -55.823 6.03299 125.777 6.03429 -155.721 -5.90763 125.779 -5.90655 -244.61 GPRESSURE: 1106200 -50.9443 71.3656 9.34601 16.9745 -66.2705 -87.9438 140.815 4.76387 -247.445 PRESSAVG: 1106200 20.0036 -19.3218 -5.95307 -19.3218 1.00004 7.16507 -5.95301 7.16506 -31.9744 GPRESSAVG: 1106200 19.8756 -21.3557 -8.32911 -17.7253 -0.218769 8.05078 -4.76548 8.12349 -30.7714 TIMING: 1106200 CPU: 3324.38, 0.00305024/step Wall: 3324.38, 0.00305024/step, 3.29917 hours remaining, 207.968750 MB of memory in use. ENERGY: 1106200 748.2202 2114.5823 1954.0797 113.9773 -205990.8488 17570.1694 0.0000 0.0000 34099.1333 -149390.6866 297.7962 -183489.8199 -149287.9923 298.7879 -152.0513 -121.5534 559327.0246 -3.6569 -3.7049 PRESSURE: 1106400 -172.141 -0.326516 -72.9659 -0.326586 -135.426 -17.9629 -72.9651 -17.9634 -138.973 GPRESSURE: 1106400 -105.827 -76.9616 -6.61575 50.9146 -126.43 -39.1726 -77.4624 47.3157 -115.333 PRESSAVG: 1106400 5.03468 -27.2276 22.3444 -27.2276 -26.9805 24.6988 22.3444 24.6989 -0.280675 GPRESSAVG: 1106400 4.11042 -26.0986 22.627 -28.2261 -26.0494 22.3843 21.966 24.7122 -0.170659 TIMING: 1106400 CPU: 3324.99, 0.0030263/step Wall: 3324.99, 0.0030263/step, 3.27311 hours remaining, 207.968750 MB of memory in use. ENERGY: 1106400 744.1523 2036.0277 1950.8934 117.8920 -206409.0294 17748.8898 0.0000 0.0000 34265.9302 -149545.2440 299.2529 -183811.1742 -149441.7439 297.9090 -148.8467 -115.8632 558377.4622 -7.4088 -7.3699 PRESSURE: 1106600 -87.394 -82.9636 24.4975 -82.9634 -57.5278 15.1613 24.496 15.1609 2.57165 GPRESSURE: 1106600 -24.1614 -102.364 1.64053 -88.6314 -61.076 12.2808 5.19394 47.1758 48.2931 PRESSAVG: 1106600 -2.4995 -17.8209 -22.4841 -17.821 27.4148 33.5916 -22.4839 33.5915 -52.1381 GPRESSAVG: 1106600 -1.94215 -16.7826 -21.1298 -18.9836 26.6755 34.0505 -23.2185 34.4803 -51.4415 TIMING: 1106600 CPU: 3325.6, 0.003059/step Wall: 3325.6, 0.003059/step, 3.30831 hours remaining, 207.968750 MB of memory in use. ENERGY: 1106600 779.9658 2094.7565 1906.7010 99.5013 -206761.2192 17996.9209 0.0000 0.0000 34279.8554 -149603.5184 299.3745 -183883.3738 -149509.5893 297.8822 -47.4500 -12.3148 558095.3738 -9.0743 -8.9027 PRESSURE: 1106800 -150.489 -73.2913 -106.718 -73.2915 -215.598 103.005 -106.718 103.005 -227.878 GPRESSURE: 1106800 -101.612 -42.7354 -161.929 -109.06 -263.386 94.5399 -73.9946 104.131 -141.46 PRESSAVG: 1106800 55.734 12.9537 -63.9219 12.9537 -80.921 51.861 -63.9219 51.861 38.237 GPRESSAVG: 1106800 55.7001 10.269 -62.9104 15.1755 -81.1165 52.8478 -65.1031 48.9578 38.53 TIMING: 1106800 CPU: 3326.21, 0.00306381/step Wall: 3326.21, 0.00306381/step, 3.31334 hours remaining, 207.968750 MB of memory in use. ENERGY: 1106800 781.5818 2057.7928 1911.2287 125.2133 -206109.7278 17636.7291 0.0000 0.0000 34047.7910 -149549.3910 297.3478 -183597.1820 -149447.2149 298.7366 -197.9883 -168.8193 559043.5864 4.3500 4.3712 PRESSURE: 1107000 8.86411 -144.924 -38.4417 -144.922 180.704 161.346 -38.4401 161.346 80.4697 GPRESSURE: 1107000 42.9746 -86.1462 -27.6325 -190.309 188.828 247.878 -28.969 100.264 137.328 PRESSAVG: 1107000 -0.665844 -18.3837 10.5166 -18.3838 -5.20256 28.0491 10.5166 28.0491 11.0758 GPRESSAVG: 1107000 -0.330147 -16.2881 9.78214 -19.0416 -5.01855 27.4516 11.7448 28.7182 10.8625 TIMING: 1107000 CPU: 3326.82, 0.00304134/step Wall: 3326.82, 0.00304134/step, 3.28887 hours remaining, 207.968750 MB of memory in use. ENERGY: 1107000 707.3985 2123.6532 1944.6286 110.0079 -206521.4152 18047.3195 0.0000 0.0000 34120.5917 -149467.8157 297.9836 -183588.4075 -149366.1333 298.4734 90.0126 123.0434 556412.8653 1.7358 1.8379 PRESSURE: 1107200 139.666 97.6666 39.2855 97.6658 -36.4782 122.436 39.2853 122.436 -158.728 GPRESSURE: 1107200 78.9498 157.604 145.819 100.732 43.5315 112.977 -65.0171 131.997 -72.9485 PRESSAVG: 1107200 -2.25022 30.5241 25.1615 30.5241 -10.9459 22.9039 25.1615 22.9038 25.097 GPRESSAVG: 1107200 -3.69929 28.1141 24.1916 31.9227 -9.13268 24.4723 24.3641 22.6194 24.5678 TIMING: 1107200 CPU: 3327.42, 0.00300939/step Wall: 3327.42, 0.00300939/step, 3.25415 hours remaining, 207.968750 MB of memory in use. ENERGY: 1107200 741.5899 2091.4517 1944.5049 117.1057 -206500.0839 18010.8687 0.0000 0.0000 34081.0932 -149513.4698 297.6387 -183594.5630 -149413.2794 299.2949 -18.5134 16.5109 557261.6978 3.9670 3.9119 PRESSURE: 1107400 -208.692 84.5475 -56.6339 84.5478 -136.793 2.57939 -56.6342 2.5795 139.653 GPRESSURE: 1107400 -145.675 97.0062 -121.676 52.7186 -105.425 117.719 13.8192 -10.9933 146.073 PRESSAVG: 1107400 -15.6307 -6.75241 1.95719 -6.75246 -24.0767 -5.27071 1.9571 -5.2706 65.7032 GPRESSAVG: 1107400 -13.3386 -5.2128 0.838921 -7.90081 -25.1157 -4.96924 3.69295 -5.95505 65.0318 TIMING: 1107400 CPU: 3328.02, 0.00300507/step Wall: 3328.02, 0.00300507/step, 3.24932 hours remaining, 207.968750 MB of memory in use. ENERGY: 1107400 739.2766 2080.5213 1922.0894 120.4579 -206402.0701 17804.4003 0.0000 0.0000 34122.9067 -149612.4178 298.0038 -183735.3246 -149516.8925 298.3083 -68.6107 -35.0092 557233.5811 8.6653 8.8592 PRESSURE: 1107600 -71.3864 -36.3615 4.66921 -36.36 17.3673 90.0677 4.66899 90.0663 28.7084 GPRESSURE: 1107600 -19.305 -85.1675 58.5875 -89.824 66.304 87.7275 35.7356 11.4928 12.3962 PRESSAVG: 1107600 -6.35593 -1.26809 -0.179971 -1.26806 -18.6102 17.1481 -0.17998 17.148 44.997 GPRESSAVG: 1107600 -7.01455 -1.68354 -2.22816 -0.233742 -19.0288 15.9778 1.48053 18.7839 46.2098 TIMING: 1107600 CPU: 3328.63, 0.00300404/step Wall: 3328.63, 0.00300404/step, 3.24804 hours remaining, 207.968750 MB of memory in use. ENERGY: 1107600 724.7256 2079.2542 1937.8321 101.7529 -206227.4044 17690.8611 0.0000 0.0000 34189.6385 -149503.3400 298.5866 -183692.9785 -149403.7850 298.7017 -8.4369 19.7984 557991.7748 6.6769 6.7222 PRESSURE: 1107800 247.881 -105.529 -48.9379 -105.531 -57.6695 129.097 -48.9387 129.098 -91.9526 GPRESSURE: 1107800 240.573 -122.005 39.5351 -17.0543 -8.50865 110.952 -143.166 96.6714 -32.5131 PRESSAVG: 1107800 20.2622 14.6997 10.2655 14.6996 -60.1838 46.1768 10.2655 46.1768 23.6757 GPRESSAVG: 1107800 21.1603 16.0987 12.0031 13.7358 -60.633 45.6855 8.97167 46.2906 23.6586 TIMING: 1107800 CPU: 3329.23, 0.00303587/step Wall: 3329.23, 0.00303587/step, 3.28228 hours remaining, 207.968750 MB of memory in use. ENERGY: 1107800 739.5847 2104.2937 1930.1919 112.9789 -206283.8787 17872.0572 0.0000 0.0000 34045.5256 -149479.2467 297.3280 -183524.7724 -149382.4191 298.1606 32.7531 66.5172 556971.9970 -5.4153 -5.2714 PRESSURE: 1108000 -125.644 -32.0455 -110.644 -32.0458 107.054 49.7261 -110.644 49.7262 -153.22 GPRESSURE: 1108000 -71.2448 -46.6174 -141.611 -9.25275 131.508 -62.2498 -136.733 105.206 -133.296 PRESSAVG: 1108000 52.3664 -21.411 13.1166 -21.4109 -12.1816 -42.2336 13.1166 -42.2336 -53.2497 GPRESSAVG: 1108000 51.9561 -21.4402 13.6687 -22.7857 -10.8584 -43.3909 10.4812 -41.2349 -53.8048 TIMING: 1108000 CPU: 3329.84, 0.00303425/step Wall: 3329.84, 0.00303425/step, 3.28036 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: 1108000 727.9073 2093.1623 1925.2843 108.3249 -206011.0978 17685.0876 0.0000 0.0000 34089.4844 -149381.8471 297.7119 -183471.3315 -149285.4041 298.7281 -57.2700 -24.3443 556776.1358 -4.3550 -4.2357 PRESSURE: 1108200 -132.457 -124.831 -30.76 -124.831 -86.7649 -29.9816 -30.7595 -29.9826 25.1709 GPRESSURE: 1108200 -79.6011 -100.761 -86.155 -125.507 2.35376 5.3115 -37.3927 96.2433 -20.431 PRESSAVG: 1108200 78.5862 -44.3002 -44.48 -44.3003 -9.28414 11.2016 -44.48 11.2017 -57.0212 GPRESSAVG: 1108200 78.4231 -45.4824 -43.7648 -44.2051 -9.14009 13.4872 -43.1273 7.09705 -57.3798 TIMING: 1108200 CPU: 3330.45, 0.00305167/step Wall: 3330.45, 0.00305167/step, 3.29902 hours remaining, 207.968750 MB of memory in use. ENERGY: 1108200 709.7212 2133.6711 1927.7506 103.4365 -206294.7341 17640.2650 0.0000 0.0000 34354.0163 -149425.8735 300.0222 -183779.8899 -149321.0360 299.4427 -64.6835 -32.5594 556581.1742 4.0936 3.9677 LDB: ============= START OF LOAD BALANCING ============== 3333.97 LDB: ============== END OF LOAD BALANCING =============== 3333.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3333.97 LDB: ============= START OF LOAD BALANCING ============== 3334.27 LDB: Largest compute 4794 load 0.026489 is 22.5% of average load 0.117861 LDB: Average compute 0.001742 is 1.5% of average load 0.117861 LDB: TIME 3334.27 LOAD: AVG 0.117861 MAX 0.211203 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.715 MB LDB: TIME 3334.27 LOAD: AVG 0.117861 MAX 0.211203 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.785 MB LDB: TIME 3334.27 LOAD: AVG 0.117861 MAX 0.211203 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.785 MB LDB: ============== END OF LOAD BALANCING =============== 3334.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3334.28 PRESSURE: 1108400 -118.294 67.3594 -82.9815 67.3588 -83.7468 22.5461 -82.9829 22.5463 -64.5124 GPRESSURE: 1108400 -126.245 69.6474 -10.0555 95.1071 24.3825 35.728 6.80522 68.7239 -73.4472 PRESSAVG: 1108400 -68.9507 -9.93589 31.8395 -9.93584 -2.00572 71.7107 31.8395 71.7106 44.0119 GPRESSAVG: 1108400 -69.7916 -12.2327 31.5955 -9.09885 -2.47 70.5939 30.3006 75.4168 45.3337 TIMING: 1108400 CPU: 3331.06, 0.00306997/step Wall: 3331.06, 0.00306997/step, 3.31863 hours remaining, 206.628906 MB of memory in use. ENERGY: 1108400 765.4365 2135.0319 1917.5549 125.3700 -206210.7606 17740.2002 0.0000 0.0000 34026.2739 -149500.8931 297.1599 -183527.1670 -149407.3582 299.3809 -88.8512 -58.4365 556854.6785 -8.9815 -8.9760 PRESSURE: 1108600 -68.3086 -39.9792 -106.831 -39.9784 -163.445 -88.1619 -106.831 -88.1612 -189.876 GPRESSURE: 1108600 -70.9228 -76.5503 -120.53 70.4143 -149.497 -43.4795 -78.7042 -83.5797 -123.961 PRESSAVG: 1108600 0.23472 -0.550091 -82.51 -0.550221 -3.20616 21.4403 -82.5101 21.4404 10.2252 GPRESSAVG: 1108600 0.775296 0.101004 -81.3707 -0.376246 -3.48078 21.8859 -81.758 21.2316 10.5348 TIMING: 1108600 CPU: 3331.67, 0.00302801/step Wall: 3331.67, 0.00302801/step, 3.27311 hours remaining, 206.628906 MB of memory in use. ENERGY: 1108600 779.6134 2063.7973 1954.2194 92.6896 -206050.8902 17611.5345 0.0000 0.0000 34133.6465 -149415.3894 298.0976 -183549.0359 -149314.5215 298.5104 -140.5432 -114.7934 557583.8314 2.4179 2.6098 PRESSURE: 1108800 -124.153 140.697 65.689 140.696 -102.898 145.632 65.6887 145.632 36.1294 GPRESSURE: 1108800 -159.252 31.5231 124.964 142.051 -61.8358 82.2438 -24.8245 117.398 134.678 PRESSAVG: 1108800 -76.6087 97.512 40.0402 97.512 78.0215 30.9106 40.0402 30.9107 -3.07544 GPRESSAVG: 1108800 -76.7951 97.6815 40.3199 97.615 77.9764 30.5885 40.8613 28.3704 -2.29798 TIMING: 1108800 CPU: 3332.27, 0.00302863/step Wall: 3332.27, 0.00302863/step, 3.27361 hours remaining, 206.628906 MB of memory in use. ENERGY: 1108800 761.6845 2061.7196 1934.5952 118.5531 -206554.6593 17901.3486 0.0000 0.0000 34302.1249 -149474.6335 299.5690 -183776.7583 -149371.4861 298.5823 -63.6407 -28.8032 557488.1628 -0.5542 -0.3722 PRESSURE: 1109000 174.891 175.541 5.93421 175.542 -39.1001 -85.5374 5.93336 -85.5374 62.9855 GPRESSURE: 1109000 237.559 191.475 -2.72135 125.314 -3.68714 -73.4611 29.2552 -6.60284 73.7548 PRESSAVG: 1109000 30.0208 28.8655 -14.1367 28.8656 35.5519 -7.24722 -14.1366 -7.2472 -49.6342 GPRESSAVG: 1109000 31.3899 30.2169 -15.4975 28.9577 34.6097 -8.52484 -16.2282 -3.20499 -50.4414 TIMING: 1109000 CPU: 3332.88, 0.00303596/step Wall: 3332.88, 0.00303596/step, 3.28137 hours remaining, 206.628906 MB of memory in use. ENERGY: 1109000 729.2482 2057.9255 1935.7748 117.4347 -206249.1121 17954.9717 0.0000 0.0000 34096.7298 -149357.0275 297.7752 -183453.7573 -149258.5902 298.5485 66.2587 102.5423 558346.0711 5.3128 5.1861 PRESSURE: 1109200 52.482 -61.0828 -66.2745 -61.0831 -40.9399 11.7994 -66.2746 11.7998 -151.562 GPRESSURE: 1109200 58.6221 29.4847 -82.8049 -135.964 -8.51894 -6.76811 -67.5511 29.1464 -103.103 PRESSAVG: 1109200 8.44403 27.1567 -5.6371 27.1567 -16.235 2.50324 -5.63703 2.50318 -6.47216 GPRESSAVG: 1109200 6.60405 27.5795 -7.23945 25.5084 -15.2177 2.80329 -5.37745 2.20894 -5.72534 TIMING: 1109200 CPU: 3333.49, 0.00301624/step Wall: 3333.49, 0.00301624/step, 3.25988 hours remaining, 206.628906 MB of memory in use. ENERGY: 1109200 744.6132 2042.2303 1921.6253 107.0300 -206038.5403 17749.8417 0.0000 0.0000 34167.7050 -149305.4948 298.3951 -183473.1998 -149213.2466 298.6715 -46.6735 -17.6665 557630.8012 -4.7544 -4.7797 PRESSURE: 1109400 -270.705 3.08647 -170.817 3.08669 -147.96 4.48541 -170.817 4.48707 232.586 GPRESSURE: 1109400 -222.418 -18.551 -167.001 -76.0132 -109.769 -56.4949 -109.703 3.18412 256.762 PRESSAVG: 1109400 11.7117 -27.0156 -43.8148 -27.0155 27.8732 6.64631 -43.8147 6.64643 43.1854 GPRESSAVG: 1109400 12.6949 -27.4144 -45.2408 -27.7986 28.1813 6.91779 -40.361 3.97379 41.9268 TIMING: 1109400 CPU: 3334.08, 0.00299663/step Wall: 3334.08, 0.00299663/step, 3.23852 hours remaining, 206.628906 MB of memory in use. ENERGY: 1109400 757.4861 2038.0588 1941.6669 112.9485 -206347.4879 17924.5284 0.0000 0.0000 34430.6309 -149142.1683 300.6913 -183572.7992 -149046.0306 298.7817 -62.0264 -25.1418 558133.6461 27.5901 27.6010 PRESSURE: 1109600 20.8151 -42.1435 70.596 -42.1454 -360.869 -103.502 70.5967 -103.501 -212.555 GPRESSURE: 1109600 14.2793 -57.1805 14.9631 -15.2334 -287.96 -225.353 26.6819 -80.8126 -180.701 PRESSAVG: 1109600 9.42683 14.9901 14.5638 14.99 -34.298 -11.9369 14.5639 -11.9369 8.89179 GPRESSAVG: 1109600 7.73607 14.3625 15.081 15.7281 -33.8385 -13.3673 13.0346 -10.4569 9.91739 TIMING: 1109600 CPU: 3334.69, 0.00301868/step Wall: 3334.69, 0.00301868/step, 3.26219 hours remaining, 206.628906 MB of memory in use. ENERGY: 1109600 737.3725 2024.0395 1921.3673 106.3250 -205992.7007 17589.8249 0.0000 0.0000 34390.3294 -149223.4419 300.3393 -183613.7713 -149128.9227 299.5883 -184.2032 -151.4604 559392.8391 -5.3265 -5.3950 PRESSURE: 1109800 106.538 63.0329 91.7013 63.0322 -359.899 -159.189 91.7004 -159.187 -142.966 GPRESSURE: 1109800 118.156 -10.0531 98.5439 53.4717 -295.711 -144.891 96.4181 -138.948 -108.446 PRESSAVG: 1109800 22.6534 16.9552 62.4505 16.9553 -79.2141 -16.908 62.4506 -16.908 53.8292 GPRESSAVG: 1109800 24.325 18.6482 65.0239 17.3659 -80.8462 -16.7582 60.588 -18.4261 53.9145 TIMING: 1109800 CPU: 3335.29, 0.00298747/step Wall: 3335.29, 0.00298747/step, 3.2283 hours remaining, 206.628906 MB of memory in use. ENERGY: 1109800 752.3770 2019.4546 1898.6478 111.4574 -206043.6600 17771.5403 0.0000 0.0000 34298.7125 -149191.4703 299.5392 -183490.1829 -149092.5577 300.1063 -132.1092 -95.3338 558850.2163 -0.9105 -0.8689 PRESSURE: 1110000 -6.1609 -78.2264 30.194 -78.2253 21.1466 207.971 30.1943 207.972 -12.8677 GPRESSURE: 1110000 33.9896 -112.707 2.00701 -103.133 78.9036 268.456 28.6165 150.155 -17.701 PRESSAVG: 1110000 -17.5011 -39.814 -29.4908 -39.8141 -29.065 -36.175 -29.4908 -36.1749 74.0674 GPRESSAVG: 1110000 -17.5786 -40.9861 -32.9317 -40.4 -29.1265 -35.1029 -26.6433 -35.8689 74.1986 TIMING: 1110000 CPU: 3335.88, 0.0029715/step Wall: 3335.88, 0.0029715/step, 3.21087 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: 1110000 752.1238 2021.7099 1964.2341 117.9225 -206305.7437 17822.7783 0.0000 0.0000 34404.4212 -149222.5539 300.4624 -183626.9751 -149123.1070 299.8564 0.7060 31.7307 556544.2985 9.1671 9.1645 PRESSURE: 1110200 -21.9722 -49.2621 136.761 -49.2612 -147.195 40.578 136.761 40.5784 -203.852 GPRESSURE: 1110200 -44.1853 -88.2362 146.899 15.9788 -130.886 5.43887 188.274 59.9416 -103.988 PRESSAVG: 1110200 -48.1156 -73.355 77.5338 -73.355 9.24015 17.281 77.5338 17.281 27.7175 GPRESSAVG: 1110200 -48.5916 -74.5166 80.4196 -71.1933 10.1611 18.3969 75.4298 18.0838 27.6354 TIMING: 1110200 CPU: 3336.47, 0.00296256/step Wall: 3336.47, 0.00296256/step, 3.20104 hours remaining, 206.628906 MB of memory in use. ENERGY: 1110200 787.7135 2034.8720 1929.1864 103.1272 -206039.0906 17724.7592 0.0000 0.0000 34223.7181 -149235.7142 298.8842 -183459.4323 -149136.7982 298.8561 -124.3399 -93.0198 557417.3521 -3.7193 -3.5984 PRESSURE: 1110400 244.804 -55.6196 104.639 -55.6197 -318.275 66.4777 104.64 66.4779 -32.6894 GPRESSURE: 1110400 273.808 44.7984 152.971 -48.3544 -304.229 102.65 75.4893 40.8015 25.5985 PRESSAVG: 1110400 76.5951 0.729503 -0.303393 0.729547 -26.6493 -27.5943 -0.303459 -27.5943 19.3188 GPRESSAVG: 1110400 77.8197 3.83142 -0.49121 -0.33202 -27.8056 -27.1629 0.47442 -29.0416 19.6441 TIMING: 1110400 CPU: 3337.07, 0.00299448/step Wall: 3337.07, 0.00299448/step, 3.23537 hours remaining, 206.628906 MB of memory in use. ENERGY: 1110400 751.6381 2054.5395 1919.5526 98.4925 -205872.8022 17695.7135 0.0000 0.0000 34056.1726 -149296.6934 297.4210 -183352.8660 -149200.8903 299.5436 -35.3868 -1.6075 557264.8106 23.0882 23.2194 PRESSURE: 1110600 -140.261 95.6689 -82.4489 95.6698 -119.398 11.2904 -82.4473 11.2883 -113.788 GPRESSURE: 1110600 -119.511 93.0142 -189.287 63.023 -76.5759 39.7687 -74.7362 148.703 -63.4706 PRESSAVG: 1110600 -22.5644 39.9882 -0.79263 39.9881 -90.3617 -45.4566 -0.792638 -45.4566 103.621 GPRESSAVG: 1110600 -23.3554 37.2515 -2.11837 39.6067 -89.0716 -46.4792 -1.69018 -42.675 103.324 TIMING: 1110600 CPU: 3337.67, 0.00301624/step Wall: 3337.67, 0.00301624/step, 3.25871 hours remaining, 206.628906 MB of memory in use. ENERGY: 1110600 789.9921 2020.4508 1913.3562 111.8647 -206257.2809 17883.1955 0.0000 0.0000 34372.4360 -149165.9856 300.1830 -183538.4216 -149071.8239 298.6439 -124.4823 -86.5190 556446.1293 -3.1016 -3.0345 PRESSURE: 1110800 104.111 -140.557 -98.1716 -140.557 -46.5871 53.0011 -98.1736 53.0015 87.2336 GPRESSURE: 1110800 168.555 -232.692 -60.6717 -107.102 -52.2385 143.72 -173.26 36.6937 124.312 PRESSAVG: 1110800 76.823 4.35616 33.7371 4.35626 -28.4158 -46.863 33.7372 -46.8628 -1.39053 GPRESSAVG: 1110800 76.2246 6.21588 35.0361 4.87851 -28.3455 -44.7431 33.7394 -49.8302 -1.31655 TIMING: 1110800 CPU: 3338.27, 0.00299165/step Wall: 3338.27, 0.00299165/step, 3.23198 hours remaining, 206.628906 MB of memory in use. ENERGY: 1110800 712.8239 2070.6211 1930.5631 120.0259 -206202.3551 17796.2324 0.0000 0.0000 34355.0813 -149217.0072 300.0315 -183572.0886 -149124.9603 299.7637 48.2525 80.2096 556329.1996 15.6722 15.5209 PRESSURE: 1111000 -0.648724 19.0812 73.7588 19.0822 168.743 -2.41732 73.7586 -2.4182 -61.5584 GPRESSURE: 1111000 48.8211 -21.5867 98.7722 -33.0414 179.133 -41.8576 21.7988 47.5486 -22.4256 PRESSAVG: 1111000 28.2021 -31.2422 10.2479 -31.2423 -2.71089 10.0074 10.2478 10.0074 -33.4487 GPRESSAVG: 1111000 28.4804 -31.5119 9.06237 -30.9031 -3.11972 7.04016 10.4346 11.7449 -32.6421 TIMING: 1111000 CPU: 3338.88, 0.00301735/step Wall: 3338.88, 0.00301735/step, 3.25958 hours remaining, 206.628906 MB of memory in use. ENERGY: 1111000 724.8102 2085.2376 1935.7024 122.5066 -206292.3378 17843.2230 0.0000 0.0000 34401.0401 -149179.8179 300.4328 -183580.8580 -149090.6530 299.9390 35.5120 68.5095 557759.5419 -2.6525 -2.4271 PRESSURE: 1111200 77.4447 18.0974 27.7928 18.0993 -31.9618 -4.42252 27.7936 -4.42416 -100.125 GPRESSURE: 1111200 134.738 78.9306 47.8566 54.6188 -22.9914 -110.792 67.291 96.6572 -87.1459 PRESSAVG: 1111200 -26.5406 7.00643 -0.853116 7.00639 83.5152 33.311 -0.853083 33.3111 -36.5489 GPRESSAVG: 1111200 -26.9691 6.81591 -0.577459 5.66854 84.1075 35.9262 0.431891 31.7279 -36.4987 TIMING: 1111200 CPU: 3339.47, 0.00298856/step Wall: 3339.47, 0.00298856/step, 3.22831 hours remaining, 206.628906 MB of memory in use. ENERGY: 1111200 757.9298 2037.7513 1922.9717 110.3182 -206032.4755 17718.7394 0.0000 0.0000 34281.4699 -149203.2952 299.3886 -183484.7651 -149109.7469 299.5056 -18.2141 8.2002 556314.7138 6.8086 6.8799 PRESSURE: 1111400 -93.0623 -104.243 -54.2508 -104.243 104.114 -47.3964 -54.2524 -47.3961 -110.488 GPRESSURE: 1111400 -99.8158 -145.359 -72.4438 -196.867 103.437 -62.4154 -42.9219 12.4077 1.53459 PRESSAVG: 1111400 44.0704 45.0081 -11.7688 45.0081 19.7153 -12.5925 -11.7688 -12.5925 -27.0704 GPRESSAVG: 1111400 45.0765 44.5865 -11.8416 45.5 18.8081 -14.0059 -12.1342 -13.1166 -27.0166 TIMING: 1111400 CPU: 3340.08, 0.00301498/step Wall: 3340.08, 0.00301498/step, 3.25668 hours remaining, 206.628906 MB of memory in use. ENERGY: 1111400 737.7066 2051.3707 1943.9842 107.2006 -206097.7433 17670.4931 0.0000 0.0000 34371.6670 -149215.3210 300.1763 -183586.9880 -149115.8051 299.3288 -33.1458 1.7185 558079.3561 12.2384 12.2893 PRESSURE: 1111600 37.3593 -141.584 -55.3435 -141.583 -130.498 -15.5079 -55.3441 -15.5074 -11.1325 GPRESSURE: 1111600 62.134 -151.728 -12.015 -99.0506 -130.485 -16.083 -4.35858 72.8225 62.5053 PRESSAVG: 1111600 -24.8717 -42.7874 82.3515 -42.7873 -5.87742 -12.948 82.3514 -12.9479 8.95957 GPRESSAVG: 1111600 -27.0817 -42.9251 80.6 -44.2494 -4.63953 -11.7307 84.4119 -13.3244 9.38178 TIMING: 1111600 CPU: 3340.68, 0.00299082/step Wall: 3340.68, 0.00299082/step, 3.23042 hours remaining, 206.628906 MB of memory in use. ENERGY: 1111600 756.7597 2034.6978 1950.6321 96.2383 -206120.2547 17694.1580 0.0000 0.0000 34259.4498 -149328.3191 299.1963 -183587.7688 -149234.6897 298.8808 -34.7572 -1.9485 558478.4056 -7.2632 -7.4465 PRESSURE: 1111800 24.855 8.51784 -9.83445 8.51632 115.795 33.1967 -9.83361 33.197 146.061 GPRESSURE: 1111800 -1.1445 28.3018 -29.1128 -63.3331 144.692 11.9369 1.3535 42.1985 221.429 PRESSAVG: 1111800 -36.1286 -1.3715 35.5021 -1.37152 73.1855 -30.518 35.5021 -30.518 -17.9615 GPRESSAVG: 1111800 -35.6496 0.268383 37.5898 -0.0151511 73.9463 -33.6582 33.0896 -29.0903 -19.0219 TIMING: 1111800 CPU: 3341.27, 0.00299056/step Wall: 3341.27, 0.00299056/step, 3.22997 hours remaining, 206.628906 MB of memory in use. ENERGY: 1111800 709.0450 2071.2076 1936.3349 93.9399 -206700.2971 18049.3156 0.0000 0.0000 34397.5798 -149442.8743 300.4026 -183840.4541 -149346.2512 298.7850 95.5704 121.6587 557112.3031 6.3651 6.4249 PRESSURE: 1112000 -375.74 14.7943 -88.2925 14.7937 -197.405 -102.476 -88.2919 -102.477 -346.254 GPRESSURE: 1112000 -289.959 -15.1151 -87.0761 -25.5208 -235.957 -144.391 -56.609 -88.979 -305.119 PRESSAVG: 1112000 -11.7969 49.4963 -42.0776 49.4963 46.0161 -21.6213 -42.0777 -21.6212 -16.9589 GPRESSAVG: 1112000 -9.57213 45.9286 -43.2588 49.524 42.9572 -19.4936 -41.4577 -22.4805 -16.3815 TIMING: 1112000 CPU: 3341.87, 0.0029893/step Wall: 3341.87, 0.0029893/step, 3.22845 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: 1112000 759.1295 2009.7056 1965.0948 125.3384 -205891.0022 17287.3256 0.0000 0.0000 34465.4538 -149278.9546 300.9954 -183744.4084 -149182.5426 298.9057 -306.4668 -277.0117 558810.4252 5.7534 5.6679 PRESSURE: 1112200 271.666 -101.266 34.0147 -101.266 4.43077 34.3032 34.0145 34.3042 219.304 GPRESSURE: 1112200 320.561 12.1903 118.467 -108.157 21.3652 -23.7191 45.7365 46.9618 241.608 PRESSAVG: 1112200 2.49674 -17.0528 -46.5674 -17.0529 -8.33195 -45.8294 -46.5674 -45.8293 36.6098 GPRESSAVG: 1112200 2.02756 -15.7276 -44.3595 -16.5256 -7.22727 -45.4635 -47.1773 -46.0737 36.162 TIMING: 1112200 CPU: 3342.48, 0.00301987/step Wall: 3342.48, 0.00301987/step, 3.26129 hours remaining, 206.628906 MB of memory in use. ENERGY: 1112200 774.9431 2087.1839 1936.1615 108.5953 -206696.0956 18245.0832 0.0000 0.0000 34213.3477 -149330.7809 298.7937 -183544.1286 -149236.4539 298.6411 165.1337 194.5113 556601.4444 10.2582 10.3208 LDB: ============= START OF LOAD BALANCING ============== 3345.99 LDB: ============== END OF LOAD BALANCING =============== 3345.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3345.99 LDB: ============= START OF LOAD BALANCING ============== 3346.3 LDB: Largest compute 4794 load 0.026443 is 22.4% of average load 0.117844 LDB: Average compute 0.001741 is 1.5% of average load 0.117844 LDB: TIME 3346.3 LOAD: AVG 0.117844 MAX 0.211833 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.91 MB LDB: TIME 3346.3 LOAD: AVG 0.117844 MAX 0.211833 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.113 MB LDB: TIME 3346.3 LOAD: AVG 0.117844 MAX 0.211833 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.113 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3346.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3346.31 PRESSURE: 1112400 -112.952 -104.757 1.20078 -104.757 26.302 198.292 1.20122 198.292 -146.414 GPRESSURE: 1112400 -73.8866 -99.523 60.5269 -137.79 111.849 160.994 47.6557 270.572 -175.743 PRESSAVG: 1112400 13.017 -2.05347 -58.8647 -2.05339 31.7561 -2.00971 -58.8647 -2.00975 -53.2327 GPRESSAVG: 1112400 12.7125 -1.58539 -60.3546 -1.86832 32.3101 -2.31765 -59.5253 -1.48841 -53.4377 TIMING: 1112400 CPU: 3343.09, 0.00307907/step Wall: 3343.09, 0.00307907/step, 3.32505 hours remaining, 208.738281 MB of memory in use. ENERGY: 1112400 772.3340 2098.8691 1941.1897 110.6458 -206293.8643 17899.9872 0.0000 0.0000 34195.6432 -149275.1952 298.6391 -183470.8384 -149183.2021 298.5635 -77.6881 -45.9269 558026.2133 -2.8199 -2.8050 PRESSURE: 1112600 -15.9965 4.78973 16.9571 4.7906 300.948 -171.774 16.9586 -171.773 139.435 GPRESSURE: 1112600 13.1079 7.59471 -63.2845 33.6504 254.484 -171.051 9.39655 -192.413 249.023 PRESSAVG: 1112600 -45.1009 12.1634 52.1955 12.1634 -53.596 -13.6859 52.1955 -13.6858 45.546 GPRESSAVG: 1112600 -44.6658 11.0306 52.1683 10.5447 -54.9842 -15.6411 53.986 -12.0948 46.2918 TIMING: 1112600 CPU: 3343.69, 0.00301245/step Wall: 3343.69, 0.00301245/step, 3.25294 hours remaining, 208.941406 MB of memory in use. ENERGY: 1112600 733.3927 2069.7847 1933.6246 112.4211 -206092.5350 17955.9954 0.0000 0.0000 33986.3549 -149300.9616 296.8113 -183287.3165 -149207.1957 298.5509 141.4621 172.2050 557001.4195 -17.7170 -17.7861 PRESSURE: 1112800 -195.614 224.621 -40.9019 224.62 -69.0195 -48.0603 -40.9037 -48.0607 -207.494 GPRESSURE: 1112800 -90.0071 231.583 -22.1905 118.872 -79.1108 -98.0725 -3.99799 -20.7286 -210.465 PRESSAVG: 1112800 -80.6698 -0.223232 -7.05869 -0.223187 -4.00183 -10.6794 -7.05874 -10.6795 80.0413 GPRESSAVG: 1112800 -81.6653 0.898928 -7.8249 1.12044 -3.25551 -11.1555 -7.36904 -12.1464 80.1143 TIMING: 1112800 CPU: 3344.3, 0.00300987/step Wall: 3344.3, 0.00300987/step, 3.24999 hours remaining, 208.941406 MB of memory in use. ENERGY: 1112800 744.5330 2099.3064 1940.1867 120.7353 -206070.7734 17557.9694 0.0000 0.0000 34337.5084 -149270.5341 299.8780 -183608.0425 -149169.2321 298.4402 -157.3756 -126.5277 555878.6110 -1.5434 -1.6022 PRESSURE: 1113000 164.869 -134.852 -97.8862 -134.852 -176.032 67.3039 -97.8869 67.3047 -54.9187 GPRESSURE: 1113000 186.77 -79.4576 -164.761 -136.253 -118.629 -4.88285 -101.444 117.972 -43.2999 PRESSAVG: 1113000 -34.672 18.1442 -88.9041 18.1442 16.5873 51.068 -88.9042 51.0681 61.9459 GPRESSAVG: 1113000 -34.218 18.6334 -89.0384 15.8578 16.4292 51.9796 -88.9325 51.2794 62.242 TIMING: 1113000 CPU: 3344.89, 0.00299354/step Wall: 3344.89, 0.00299354/step, 3.23219 hours remaining, 209.203125 MB of memory in use. ENERGY: 1113000 745.0299 2065.7676 1962.7679 112.8716 -205872.2610 17732.6078 0.0000 0.0000 34110.9672 -149142.2491 297.8996 -183253.2163 -149046.4615 299.5054 -22.0272 8.2806 558038.7215 14.6204 14.8177 PRESSURE: 1113200 -86.689 100.6 107.093 100.601 -146.911 -123.521 107.093 -123.521 260.37 GPRESSURE: 1113200 -67.3878 101.081 159.185 84.1039 -85.6435 -122.661 115.759 -121.559 284.376 PRESSAVG: 1113200 9.05964 -4.6701 -3.01098 -4.67025 -55.3896 -12.5564 -3.01098 -12.5563 79.871 GPRESSAVG: 1113200 8.31115 -7.48519 -2.1395 -3.1518 -54.5023 -13.6739 -3.96693 -11.7583 79.5091 TIMING: 1113200 CPU: 3345.49, 0.00298377/step Wall: 3345.49, 0.00298377/step, 3.22147 hours remaining, 209.203125 MB of memory in use. ENERGY: 1113200 744.3161 2097.5059 1988.2780 123.5509 -206131.5172 17668.7598 0.0000 0.0000 34133.5846 -149375.5219 298.0971 -183509.1064 -149284.8592 299.4747 8.9235 43.7817 557256.9436 11.1803 11.1060 PRESSURE: 1113400 3.38926 -185.973 31.9974 -185.972 74.4509 2.62221 31.9971 2.62265 -106.212 GPRESSURE: 1113400 80.5295 -204.402 35.2724 -167.911 97.8826 55.164 -45.5759 18.9966 -107.337 PRESSAVG: 1113400 28.1054 -2.59701 43.5266 -2.59698 -56.7103 -53.4748 43.5267 -53.4746 -8.68966 GPRESSAVG: 1113400 28.9252 -0.155835 44.2358 -3.42706 -57.2658 -51.2388 42.0757 -54.779 -8.15636 TIMING: 1113400 CPU: 3346.1, 0.00303799/step Wall: 3346.1, 0.00303799/step, 3.27985 hours remaining, 209.203125 MB of memory in use. ENERGY: 1113400 749.9423 2072.2915 1957.3843 124.1842 -206020.5834 17883.5422 0.0000 0.0000 33980.6404 -149252.5984 296.7614 -183233.2389 -149154.4419 298.6905 -9.4572 23.6917 559238.6412 -12.4315 -12.1657 PRESSURE: 1113600 -42.3517 -29.0707 19.429 -29.0691 -179.191 74.7138 19.4291 74.7138 -60.4256 GPRESSURE: 1113600 45.2233 40.5936 141.801 -109.752 -207.177 142.8 -66.8297 99.1057 -31.0506 PRESSAVG: 1113600 46.2404 -15.6611 3.60166 -15.6611 -46.9994 -20.5177 3.60168 -20.5176 30.1847 GPRESSAVG: 1113600 46.8539 -15.1172 4.77624 -17.386 -45.8756 -21.5785 4.43842 -20.0529 29.0489 TIMING: 1113600 CPU: 3346.7, 0.00302137/step Wall: 3346.7, 0.00302138/step, 3.26174 hours remaining, 209.203125 MB of memory in use. ENERGY: 1113600 762.2458 2036.8899 1958.1953 130.5608 -206094.8526 17592.3851 0.0000 0.0000 34420.4120 -149194.1638 300.6020 -183614.5758 -149095.3658 299.6429 -93.9894 -64.3347 557632.5711 9.8086 10.0091 PRESSURE: 1113800 -136.662 -134.187 -147.83 -134.187 -132.062 15.7233 -147.83 15.7232 -228.974 GPRESSURE: 1113800 -103.516 -223.363 -38.0369 -91.2185 -120.009 22.504 -138.88 -10.5221 -171.714 PRESSAVG: 1113800 -7.85125 22.6746 7.43847 22.6745 -7.62369 40.6771 7.43854 40.6772 -33.1516 GPRESSAVG: 1113800 -7.81134 21.6019 4.60831 26.0467 -7.16758 41.8612 9.87127 40.9693 -33.1639 TIMING: 1113800 CPU: 3347.32, 0.00307611/step Wall: 3347.32, 0.00307611/step, 3.32066 hours remaining, 209.203125 MB of memory in use. ENERGY: 1113800 760.1086 2112.8324 1912.3974 120.7114 -205507.6005 17421.6221 0.0000 0.0000 34153.6462 -149026.2823 298.2723 -183179.9285 -148930.4701 299.2442 -165.8994 -131.7463 559684.5260 -16.2088 -16.0476 PRESSURE: 1114000 88.3225 63.1793 -110.571 63.1812 -308.612 97.4531 -110.57 97.4538 -140.041 GPRESSURE: 1114000 106.083 46.5154 -63.0635 -1.32282 -196.189 93.3935 -85.6669 62.3747 -158.934 PRESSAVG: 1114000 -40.8565 7.40248 -6.96896 7.40245 41.4994 41.4819 -6.96903 41.4819 26.8307 GPRESSAVG: 1114000 -41.2678 7.29064 -6.96781 4.52004 42.1179 41.3539 -6.40083 41.0188 27.0957 TIMING: 1114000 CPU: 3347.93, 0.0030388/step Wall: 3347.93, 0.0030388/step, 3.28022 hours remaining, 209.203125 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: 1114000 749.8176 2095.5170 1952.2658 117.7690 -206038.0011 17692.0302 0.0000 0.0000 34326.8928 -149103.7088 299.7853 -183430.6016 -149001.7843 299.5795 -120.1101 -83.0136 558495.3156 9.1579 9.3153 PRESSURE: 1114200 60.477 -95.5574 100.907 -95.5586 -77.2937 27.467 100.908 27.4681 -104.967 GPRESSURE: 1114200 79.2568 -136.479 137.808 -82.2463 8.56565 36.4107 -14.8033 92.4457 -116.86 PRESSAVG: 1114200 49.4751 48.6962 -19.63 48.6961 20.7746 -12.8087 -19.63 -12.8087 -41.6742 GPRESSAVG: 1114200 49.1921 49.8011 -19.6459 48.8442 19.6674 -12.7974 -21.2661 -12.7048 -40.4764 TIMING: 1114200 CPU: 3348.53, 0.00303184/step Wall: 3348.53, 0.00303184/step, 3.27253 hours remaining, 209.203125 MB of memory in use. ENERGY: 1114200 745.2481 2120.6680 1928.5759 114.4031 -205972.6923 17593.3357 0.0000 0.0000 34353.8937 -149116.5677 300.0211 -183470.4615 -149010.1936 300.1949 -40.5947 -9.6791 557934.8669 9.5252 9.4610 PRESSURE: 1114400 -68.9318 103.763 35.1471 103.763 177.202 31.1299 35.1464 31.13 85.8473 GPRESSURE: 1114400 -62.0117 30.0778 4.31164 130.335 199.825 -6.13192 33.4943 28.8816 157.186 PRESSAVG: 1114400 -31.5751 -28.6222 -18.5066 -28.6221 24.9831 35.9177 -18.5065 35.9177 -21.1506 GPRESSAVG: 1114400 -31.8689 -28.1402 -17.3467 -27.5554 24.8816 33.9731 -19.4272 37.9929 -21.2825 TIMING: 1114400 CPU: 3349.14, 0.00304262/step Wall: 3349.14, 0.00304262/step, 3.284 hours remaining, 209.203125 MB of memory in use. ENERGY: 1114400 730.5801 2075.8642 1923.4917 118.6300 -206270.0277 17865.0775 0.0000 0.0000 34406.0421 -149150.3421 300.4765 -183556.3843 -149051.2603 299.6409 64.7059 98.3332 556820.5842 -9.2475 -9.4232 PRESSURE: 1114600 161.429 11.5105 -36.8994 11.5097 343.68 97.8076 -36.8988 97.8083 170.943 GPRESSURE: 1114600 232.289 65.1099 -24.8794 -3.19117 327.784 39.3107 -30.8643 44.9974 205.329 PRESSAVG: 1114600 -14.3318 -12.8517 -41.2447 -12.8518 26.7059 26.098 -41.2447 26.0978 -25.5522 GPRESSAVG: 1114600 -16.1095 -11.1094 -39.8308 -14.5164 27.8287 26.2773 -43.9253 24.778 -25.1891 TIMING: 1114600 CPU: 3349.75, 0.00302065/step Wall: 3349.75, 0.00302065/step, 3.26012 hours remaining, 209.203125 MB of memory in use. ENERGY: 1114600 717.8078 2113.9191 1941.8678 126.2626 -206617.0025 18123.9540 0.0000 0.0000 34301.6660 -149291.5252 299.5650 -183593.1912 -149202.0860 299.7533 225.3506 255.1337 557244.2770 -4.3927 -4.4900 PRESSURE: 1114800 -215.992 -111.333 49.535 -111.334 -60.0839 -55.5955 49.5347 -55.5961 -214.642 GPRESSURE: 1114800 -176.536 -52.9106 66.8704 -194.073 -22.3252 -17.3835 39.8491 -157.55 -188.814 PRESSAVG: 1114800 -22.2222 -43.5982 -46.1486 -43.5983 48.9707 -43.6437 -46.1486 -43.6437 -5.8861 GPRESSAVG: 1114800 -20.6494 -44.6669 -48.8223 -42.6702 47.3161 -40.4962 -43.1975 -45.0059 -5.66779 TIMING: 1114800 CPU: 3350.35, 0.00302324/step Wall: 3350.35, 0.00302324/step, 3.26275 hours remaining, 209.203125 MB of memory in use. ENERGY: 1114800 729.7487 2095.4559 1960.1623 116.3508 -205870.3291 17489.7008 0.0000 0.0000 34139.1559 -149339.7546 298.1457 -183478.9106 -149234.3517 299.5344 -163.5728 -129.2251 558585.8293 6.9541 6.9996 PRESSURE: 1115000 133.269 102.674 198.952 102.674 -45.5376 -94.4964 198.952 -94.4959 -109.546 GPRESSURE: 1115000 157.831 79.1998 160.68 62.7411 17.8799 -85.7861 209.11 -80.1865 -91.9902 PRESSAVG: 1115000 -2.89091 -14.658 45.41 -14.6579 17.1514 47.8467 45.41 47.8466 31.9334 GPRESSAVG: 1115000 -4.11624 -15.8134 45.2923 -13.9661 18.77 48.2631 45.4545 49.7181 31.327 TIMING: 1115000 CPU: 3350.96, 0.00305021/step Wall: 3350.96, 0.00305021/step, 3.29169 hours remaining, 209.203125 MB of memory in use. ENERGY: 1115000 759.0148 2091.6707 1955.4127 104.7866 -206428.9124 17792.9447 0.0000 0.0000 34391.8564 -149333.2264 300.3526 -183725.0828 -149238.3712 299.3768 -7.2715 27.9068 557055.6214 15.3980 15.3269 PRESSURE: 1115200 -49.0516 0.889126 -114.888 0.88928 27.235 65.0266 -114.887 65.0256 -137.776 GPRESSURE: 1115200 -20.9459 0.40262 -87.1855 18.0213 33.5782 22.6809 -132.092 85.2948 -76.4552 PRESSAVG: 1115200 -23.9765 26.0322 9.27713 26.0323 82.8851 -37.4312 9.27711 -37.4312 -36.1662 GPRESSAVG: 1115200 -22.5472 25.3335 9.66006 25.3331 80.9576 -38.5005 9.86509 -39.8518 -36.075 TIMING: 1115200 CPU: 3351.56, 0.00300284/step Wall: 3351.56, 0.00300284/step, 3.24039 hours remaining, 209.203125 MB of memory in use. ENERGY: 1115200 727.9060 2108.0560 1940.4036 105.4922 -206110.3297 17655.5338 0.0000 0.0000 34123.3941 -149449.5440 298.0081 -183572.9381 -149351.6165 299.1786 -53.1976 -21.2743 557707.8656 7.5808 7.4451 PRESSURE: 1115400 -103.02 3.62651 -15.5562 3.6263 -71.8052 168.403 -15.5555 168.403 -411.414 GPRESSURE: 1115400 -73.4578 5.66468 -49.2413 -2.84771 -71.6828 241.572 98.1667 220.934 -357.991 PRESSAVG: 1115400 18.3613 -48.0931 8.29487 -48.0932 -1.36255 19.7914 8.29491 19.7914 -20.6145 GPRESSAVG: 1115400 16.9821 -49.34 7.8884 -47.9122 -0.876953 18.3145 7.94076 22.2175 -19.8562 TIMING: 1115400 CPU: 3352.16, 0.00300376/step Wall: 3352.16, 0.00300376/step, 3.24122 hours remaining, 209.203125 MB of memory in use. ENERGY: 1115400 786.4065 2080.6245 1950.5461 108.2687 -206205.3853 17653.2678 0.0000 0.0000 34092.6989 -149533.5728 297.7400 -183626.2717 -149440.5495 298.2803 -195.4128 -167.7106 558570.4720 -1.2053 -1.2503 PRESSURE: 1115600 -19.9565 17.9496 112.996 17.9502 -111.799 -37.573 112.996 -37.5728 242.74 GPRESSURE: 1115600 -8.63391 55.3643 175.123 -16.3788 -8.45768 -11.8673 14.7905 -35.9578 234.114 PRESSAVG: 1115600 -18.4433 -87.1866 20.9223 -87.1867 -10.4636 34.43 20.9223 34.4299 34.2697 GPRESSAVG: 1115600 -18.2261 -85.8879 20.7157 -87.1221 -8.45016 35.2563 19.671 33.4303 32.2029 TIMING: 1115600 CPU: 3352.77, 0.00303439/step Wall: 3352.77, 0.00303439/step, 3.2741 hours remaining, 209.203125 MB of memory in use. ENERGY: 1115600 727.3074 2186.9779 1948.5398 111.1999 -206839.9195 17956.7590 0.0000 0.0000 34333.6400 -149575.4955 299.8442 -183909.1355 -149485.8316 298.3245 36.9946 72.3409 557052.0842 1.7876 1.8422 PRESSURE: 1115800 16.9807 93.9583 24.1412 93.96 -93.7556 82.9021 24.1413 82.9018 -50.416 GPRESSURE: 1115800 69.2576 109.656 33.9921 105.112 -46.2879 91.9746 76.1732 31.8807 -49.6459 PRESSAVG: 1115800 56.9582 -82.8446 -9.25886 -82.8446 -37.9758 5.1153 -9.25888 5.11534 -1.80993 GPRESSAVG: 1115800 57.7222 -84.765 -7.75844 -82.2836 -40.1419 4.79206 -7.95942 5.08915 -0.741139 TIMING: 1115800 CPU: 3353.37, 0.00301157/step Wall: 3353.37, 0.00301157/step, 3.24932 hours remaining, 209.203125 MB of memory in use. ENERGY: 1115800 747.1644 2172.1227 1930.6985 106.4364 -206429.3090 17668.6109 0.0000 0.0000 34084.3877 -149719.8885 297.6674 -183804.2762 -149625.3562 297.8362 -42.3970 -8.8921 556670.7594 5.7242 5.6130 PRESSURE: 1116000 50.4647 -130.819 49.462 -130.819 -317.36 -11.2191 49.4627 -11.2167 -211.605 GPRESSURE: 1116000 2.49436 -130.126 59.3125 -61.3288 -291.503 38.6458 38.5077 -52.1153 -93.623 PRESSAVG: 1116000 22.9325 -37.1045 -15.1907 -37.1045 -73.005 15.2199 -15.1907 15.2199 26.8243 GPRESSAVG: 1116000 22.5718 -34.4306 -16.5434 -38.3268 -73.3717 14.9749 -13.8974 16.4218 27.4317 TIMING: 1116000 CPU: 3353.97, 0.00300807/step Wall: 3353.97, 0.00300807/step, 3.24537 hours remaining, 209.203125 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: 1116000 763.0874 2072.7367 1932.8305 114.9047 -206271.2429 17522.8903 0.0000 0.0000 34266.5248 -149598.2686 299.2581 -183864.7934 -149499.7571 297.9503 -159.5001 -127.5439 555544.5947 -7.7494 -7.7894 PRESSURE: 1116200 158.545 -59.14 -56.6331 -59.1396 -226.241 110.808 -56.6335 110.806 91.0041 GPRESSURE: 1116200 166.854 -132.739 -30.8788 -21.4542 -243.381 57.562 -1.63983 22.7474 191.748 PRESSAVG: 1116200 89.8198 -50.0318 -45.7632 -50.0319 -86.5006 41.5809 -45.7631 41.5809 -7.24734 GPRESSAVG: 1116200 89.4135 -51.3212 -42.2642 -50.5442 -86.7185 40.2281 -48.9981 40.7701 -7.02927 TIMING: 1116200 CPU: 3354.57, 0.00299873/step Wall: 3354.57, 0.00299873/step, 3.23513 hours remaining, 209.269531 MB of memory in use. ENERGY: 1116200 740.5626 2095.0081 1949.4886 126.2175 -206354.0576 17627.5601 0.0000 0.0000 34334.7260 -149480.4946 299.8537 -183815.2207 -149383.9249 298.9927 7.7693 38.4069 556110.2035 -1.3094 -1.4448 LDB: ============= START OF LOAD BALANCING ============== 3358.09 LDB: ============== END OF LOAD BALANCING =============== 3358.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3358.09 LDB: ============= START OF LOAD BALANCING ============== 3358.39 LDB: Largest compute 4766 load 0.024388 is 20.7% of average load 0.117943 LDB: Average compute 0.001733 is 1.5% of average load 0.117943 LDB: TIME 3358.39 LOAD: AVG 0.117943 MAX 0.21045 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.867 MB LDB: TIME 3358.39 LOAD: AVG 0.117943 MAX 0.21045 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.867 MB LDB: TIME 3358.39 LOAD: AVG 0.117943 MAX 0.21045 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.867 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3358.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3358.4 PRESSURE: 1116400 -118.758 -28.9625 38.6656 -28.9642 -31.2113 64.4691 38.6654 64.4695 -86.8756 GPRESSURE: 1116400 -108.843 -49.202 58.1297 -72.8215 -32.0317 76.9923 -39.9366 25.43 5.19539 PRESSAVG: 1116400 29.3284 33.3353 1.39216 33.3353 -56.4292 6.52054 1.39214 6.52054 15.8465 GPRESSAVG: 1116400 30.4949 35.4151 -1.95986 31.688 -56.5165 8.50037 3.04119 5.09167 14.7464 TIMING: 1116400 CPU: 3355.18, 0.00304998/step Wall: 3355.18, 0.00304998/step, 3.29025 hours remaining, 207.968750 MB of memory in use. ENERGY: 1116400 718.1336 2116.2092 1938.6908 126.8083 -205985.6986 17471.1953 0.0000 0.0000 34144.0265 -149470.6350 298.1883 -183614.6614 -149380.8125 298.6182 -78.9484 -45.2265 557059.7252 -3.7514 -3.7584 PRESSURE: 1116600 -94.1962 34.0018 96.0665 34.0013 -13.5418 18.8472 96.067 18.8456 -64.2886 GPRESSURE: 1116600 -111.726 91.5199 60.9649 34.719 8.94234 31.9774 42.6905 76.2361 20.5499 PRESSAVG: 1116600 42.5253 46.3894 61.207 46.3893 42.7966 2.04318 61.207 2.04314 -63.5427 GPRESSAVG: 1116600 42.2543 46.0974 63.5356 47.4088 42.9316 1.27369 60.4385 1.66258 -63.4503 TIMING: 1116600 CPU: 3355.79, 0.00301689/step Wall: 3355.79, 0.00301689/step, 3.25439 hours remaining, 207.968750 MB of memory in use. ENERGY: 1116600 735.3016 2137.4912 1922.3438 118.5285 -206182.2239 17673.2439 0.0000 0.0000 34233.3646 -149361.9504 298.9685 -183595.3150 -149263.1303 298.6319 -57.3422 -27.4114 556367.5429 7.2598 7.2452 PRESSURE: 1116800 -164.209 13.9726 55.0746 13.9725 -235.645 -62.5451 55.0744 -62.5452 -25.2638 GPRESSURE: 1116800 -164.632 57.5829 41.224 -68.9168 -180.397 -68.6366 131.115 -32.3215 23.357 PRESSAVG: 1116800 -21.2556 -18.6318 42.3091 -18.6319 3.52815 31.2312 42.3091 31.2314 30.5886 GPRESSAVG: 1116800 -21.0691 -20.3759 38.5036 -16.9833 4.00329 30.0407 45.584 32.5524 30.5796 TIMING: 1116800 CPU: 3356.39, 0.00304471/step Wall: 3356.39, 0.00304471/step, 3.28422 hours remaining, 207.968750 MB of memory in use. ENERGY: 1116800 768.3354 2094.2940 1948.7561 115.5857 -206499.8575 17773.0834 0.0000 0.0000 34446.2104 -149353.5925 300.8273 -183799.8030 -149256.0684 300.0005 -141.7062 -107.2241 557124.1346 4.2871 4.5046 PRESSURE: 1117000 -52.5611 -6.18774 -150.254 -6.18682 -143.739 107.025 -150.254 107.026 -74.5527 GPRESSURE: 1117000 -49.4442 -95.3351 -180.079 52.1235 -98.1095 77.2895 -133.465 24.4437 -43.7948 PRESSAVG: 1117000 36.3872 65.642 -44.8612 65.6421 -16.2214 -24.0044 -44.8613 -24.0044 -46.5881 GPRESSAVG: 1117000 35.2218 67.7982 -41.9471 63.3899 -15.8416 -23.3773 -47.4136 -22.742 -46.369 TIMING: 1117000 CPU: 3357, 0.00303243/step Wall: 3357, 0.00303243/step, 3.27082 hours remaining, 207.968750 MB of memory in use. ENERGY: 1117000 790.6323 2071.9458 1939.6724 111.0208 -206216.4570 17724.1258 0.0000 0.0000 34260.8901 -149318.1697 299.2089 -183579.0599 -149217.6885 300.0474 -90.2841 -63.7829 556787.4008 -8.8075 -8.9963 PRESSURE: 1117200 -77.961 123.152 171.963 123.152 -94.251 93.0066 171.963 93.0073 -185.753 GPRESSURE: 1117200 -100.756 126.598 88.7155 151.969 -71.1184 37.8796 118.652 104.441 -80.1831 PRESSAVG: 1117200 -62.261 14.6247 21.9191 14.6247 81.4611 39.8286 21.9191 39.8285 15.9351 GPRESSAVG: 1117200 -62.3691 12.0224 22.141 17.3763 81.0069 38.2999 22.4971 39.9571 16.1895 TIMING: 1117200 CPU: 3357.61, 0.00304396/step Wall: 3357.61, 0.00304396/step, 3.28308 hours remaining, 207.968750 MB of memory in use. ENERGY: 1117200 740.8306 2091.0328 1955.5014 123.0037 -205847.5659 17640.5812 0.0000 0.0000 34119.1559 -149177.4603 297.9711 -183296.6161 -149082.6312 298.9513 -119.3217 -84.0193 557453.7233 11.7117 11.6091 PRESSURE: 1117400 -176.072 133.805 67.3664 133.806 58.6939 12.7119 67.3667 12.7102 82.1224 GPRESSURE: 1117400 -163.155 50.5821 48.0453 137.68 117.102 -57.9806 -24.0168 91.1981 104.537 PRESSAVG: 1117400 -59.602 29.7035 -2.88402 29.7034 43.721 -29.7867 -2.88401 -29.7866 10.0862 GPRESSAVG: 1117400 -59.4712 31.9014 -5.94863 28.0203 43.6284 -29.8379 -1.0911 -31.332 9.94724 TIMING: 1117400 CPU: 3358.21, 0.00302638/step Wall: 3358.21, 0.00302638/step, 3.26395 hours remaining, 207.968750 MB of memory in use. ENERGY: 1117400 751.4247 2090.4632 1951.4925 127.7000 -206162.6641 17756.0846 0.0000 0.0000 34209.2728 -149276.2263 298.7581 -183485.4991 -149181.4853 299.3581 -11.7518 19.4948 556678.8981 -1.9316 -1.9652 PRESSURE: 1117600 -210.156 89.3464 62.394 89.3477 88.1773 -36.5428 62.3938 -36.5418 -215.902 GPRESSURE: 1117600 -242.176 53.1789 21.3469 103.229 126.159 -5.52256 96.738 -86.2397 -115.674 PRESSAVG: 1117600 -116.773 19.367 32.0555 19.367 129.094 -19.1268 32.0555 -19.1268 -72.687 GPRESSAVG: 1117600 -117.043 17.2879 34.4633 18.7757 129.513 -15.4454 29.9353 -21.4556 -72.2027 TIMING: 1117600 CPU: 3358.82, 0.00302513/step Wall: 3358.82, 0.00302513/step, 3.26244 hours remaining, 207.968750 MB of memory in use. ENERGY: 1117600 743.6435 2108.5816 1908.4022 113.5897 -206006.7743 17629.8914 0.0000 0.0000 34146.5060 -149356.1600 298.2099 -183502.6660 -149260.5715 298.9969 -112.6270 -77.2301 558325.9016 -20.1222 -19.9109 PRESSURE: 1117800 211.045 -64.8844 -27.3857 -64.8846 -113.581 -208.589 -27.3875 -208.588 68.8803 GPRESSURE: 1117800 240.88 -41.8994 -43.9881 -47.7236 -114.314 -205.891 -14.6581 -120.704 145.048 PRESSAVG: 1117800 -76.6124 -2.05974 21.7929 -2.05969 51.9363 -5.87444 21.793 -5.87431 -12.7633 GPRESSAVG: 1117800 -75.551 0.795316 21.8034 -2.68699 51.1096 -8.02171 21.0294 -2.70027 -12.6663 TIMING: 1117800 CPU: 3359.42, 0.00301788/step Wall: 3359.42, 0.00301788/step, 3.25445 hours remaining, 207.968750 MB of memory in use. ENERGY: 1117800 762.2435 2133.3957 1979.4871 105.8922 -206653.8371 17925.9545 0.0000 0.0000 34525.5751 -149221.2889 301.5204 -183746.8641 -149120.9128 299.9534 55.4479 90.5379 556054.1705 -12.4798 -12.3692 PRESSURE: 1118000 47.8733 80.6882 135.35 80.6872 153.003 72.4377 135.349 72.4391 198.99 GPRESSURE: 1118000 111.092 118.981 56.9573 83.0879 215.8 87.0162 226.114 94.5657 170.706 PRESSAVG: 1118000 -33.3767 23.6407 -24.5455 23.6407 0.904906 -15.392 -24.5455 -15.392 44.374 GPRESSAVG: 1118000 -33.6988 23.421 -25.3196 24.9258 2.19236 -14.1517 -23.3421 -15.0663 43.6625 TIMING: 1118000 CPU: 3360.03, 0.00304973/step Wall: 3360.03, 0.00304973/step, 3.28863 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: 1118000 782.4330 2152.6060 1917.8992 113.3738 -206132.0068 17786.3995 0.0000 0.0000 34222.5625 -149156.7328 298.8741 -183379.2953 -149063.1106 299.8168 133.2890 165.8659 554344.6746 3.9674 4.0520 PRESSURE: 1118200 -80.0745 -74.4418 -60.5596 -74.4422 344.272 -11.9336 -60.5595 -11.9353 238.192 GPRESSURE: 1118200 -3.66432 -32.8828 34.0304 -87.0346 381.475 -18.1261 -75.9194 -9.92896 218.187 PRESSAVG: 1118200 -44.9264 32.3289 8.04273 32.3287 79.0769 32.8438 8.04272 32.8437 -9.06808 GPRESSAVG: 1118200 -44.6464 32.5617 8.02223 31.2432 78.1714 33.4415 8.64376 31.4505 -8.50628 TIMING: 1118200 CPU: 3360.65, 0.00306506/step Wall: 3360.65, 0.00306506/step, 3.30499 hours remaining, 207.968750 MB of memory in use. ENERGY: 1118200 720.8217 2151.7817 1954.4912 102.9727 -206276.5745 17770.6195 0.0000 0.0000 34376.0953 -149199.7922 300.2150 -183575.8876 -149110.5914 299.3420 167.4632 198.6659 553710.4812 8.3608 8.3396 PRESSURE: 1118400 -246.209 381.127 109.577 381.127 144.774 -23.0821 109.579 -23.0809 -33.6904 GPRESSURE: 1118400 -148.061 340.817 189.434 312.028 182.065 -34.8301 121.941 50.7184 -75.3305 PRESSAVG: 1118400 -8.34639 40.324 -68.1848 40.324 -0.215025 16.5179 -68.1847 16.5179 31.3863 GPRESSAVG: 1118400 -8.54426 39.1574 -66.7376 40.9031 -0.217891 15.8757 -70.083 17.2152 30.8114 TIMING: 1118400 CPU: 3361.25, 0.00302346/step Wall: 3361.25, 0.00302346/step, 3.25996 hours remaining, 207.968750 MB of memory in use. ENERGY: 1118400 769.2957 2157.8855 1936.5301 104.4420 -205982.9410 17576.8925 0.0000 0.0000 34356.9746 -149080.9205 300.0480 -183437.8951 -148988.0258 300.5490 -45.0417 -13.7756 555136.3224 7.6083 7.3498 PRESSURE: 1118600 -122.984 -72.3885 26.5021 -72.3885 34.9475 142.799 26.5024 142.797 208.887 GPRESSURE: 1118600 -54.0987 -67.4129 143.417 -77.0905 73.9864 193.957 -35.615 117.479 218.642 PRESSAVG: 1118600 -102.863 68.1729 -3.78623 68.1728 52.1328 18.6114 -3.78626 18.6113 30.8646 GPRESSAVG: 1118600 -102.508 68.3333 -3.69328 66.5353 52.2655 18.2583 -5.51193 18.3226 30.8091 TIMING: 1118600 CPU: 3361.85, 0.00301227/step Wall: 3361.85, 0.00301227/step, 3.24772 hours remaining, 207.968750 MB of memory in use. ENERGY: 1118600 761.2615 2165.8141 1912.5557 111.6644 -206218.8429 17866.5475 0.0000 0.0000 34187.1047 -149213.8950 298.5645 -183400.9998 -149119.3465 299.5029 40.2837 79.5099 555558.5000 -6.6218 -6.4778 PRESSURE: 1118800 -189.852 -6.58661 79.0639 -6.58604 -12.8613 71.6593 79.0635 71.659 -154.611 GPRESSURE: 1118800 -165.833 37.8823 37.6146 -69.4241 1.09027 60.7227 72.585 75.0077 -99.2484 PRESSAVG: 1118800 -39.8962 -18.8073 11.3477 -18.8072 -17.6577 11.7244 11.3477 11.7244 28.6498 GPRESSAVG: 1118800 -39.8688 -17.5171 8.59943 -17.3873 -18.544 12.3667 15.0855 11.107 29.4072 TIMING: 1118800 CPU: 3362.46, 0.00301666/step Wall: 3362.46, 0.00301666/step, 3.25229 hours remaining, 207.968750 MB of memory in use. ENERGY: 1118800 750.6545 2154.3283 1923.4860 118.3104 -206032.0455 17590.4910 0.0000 0.0000 34338.3541 -149156.4211 299.8854 -183494.7752 -149059.2379 299.7617 -119.1083 -87.9970 555202.8751 -9.6347 -9.6685 PRESSURE: 1119000 -73.9643 -193.802 -75.0572 -193.803 129.967 -101.458 -75.0565 -101.457 173.801 GPRESSURE: 1119000 -37.6529 -176.845 -54.3709 -144.789 139.521 -73.4883 -138.988 -70.5926 229.716 PRESSAVG: 1119000 -57.6444 -1.00751 -5.59288 -1.00745 17.0287 -21.495 -5.59282 -21.4949 71.8413 GPRESSAVG: 1119000 -58.822 -2.45688 -4.08155 -0.183442 17.5958 -18.9005 -5.97028 -23.9506 72.5612 TIMING: 1119000 CPU: 3363.06, 0.0030161/step Wall: 3363.06, 0.0030161/step, 3.25152 hours remaining, 207.968750 MB of memory in use. ENERGY: 1119000 729.0822 2107.1657 1941.5726 125.0073 -206437.8906 17914.9871 0.0000 0.0000 34306.3326 -149313.7432 299.6057 -183620.0758 -149215.7841 299.8565 76.6011 110.5280 555730.3249 10.4085 10.4450 PRESSURE: 1119200 -184.891 103.237 57.6913 103.237 2.23963 -65.3906 57.6902 -65.3902 -340.101 GPRESSURE: 1119200 -141.768 99.8891 13.3561 75.5557 4.75583 -67.4813 126.059 -45.6387 -278.05 PRESSAVG: 1119200 -50.4756 -37.5914 17.6246 -37.5913 17.1691 -50.7777 17.6246 -50.7777 15.1084 GPRESSAVG: 1119200 -49.6948 -39.5923 16.5313 -37.7357 15.8849 -52.0459 19.2026 -48.777 15.6072 TIMING: 1119200 CPU: 3363.65, 0.0029736/step Wall: 3363.65, 0.0029736/step, 3.20554 hours remaining, 207.968750 MB of memory in use. ENERGY: 1119200 746.8071 2184.8415 1920.7098 110.5827 -206263.8418 17534.1680 0.0000 0.0000 34404.3334 -149362.3993 300.4616 -183766.7327 -149263.9120 299.3437 -174.2510 -138.3542 556229.5615 -6.0660 -6.0676 PRESSURE: 1119400 64.5851 -84.3227 43.358 -84.323 -119.221 136.464 43.3581 136.466 -116.047 GPRESSURE: 1119400 90.338 -37.1742 105.307 -50.7379 -43.8389 109.901 -9.32892 142.021 -116.98 PRESSAVG: 1119400 -38.0127 -29.3038 11.9781 -29.3037 40.5319 -17.2251 11.9781 -17.225 17.1806 GPRESSAVG: 1119400 -38.4678 -28.4804 12.6474 -27.6807 41.4048 -18.0562 9.31958 -16.6276 17.3505 TIMING: 1119400 CPU: 3364.25, 0.00298739/step Wall: 3364.25, 0.00298739/step, 3.22024 hours remaining, 207.968750 MB of memory in use. ENERGY: 1119400 748.1505 2103.9159 1915.6676 125.3806 -205907.5586 17645.7071 0.0000 0.0000 34089.9487 -149278.7882 297.7160 -183368.7369 -149181.9886 299.3213 -56.8943 -23.4937 557272.0519 6.5666 6.7625 PRESSURE: 1119600 -38.6392 6.18067 2.67698 6.18015 -227.238 43.8289 2.67551 43.8292 -109.326 GPRESSURE: 1119600 -81.9375 2.22656 19.8151 -20.3105 -148.887 90.9882 63.5904 116.699 -44.453 PRESSAVG: 1119600 -25.9898 -61.0349 -8.69567 -61.0349 41.1768 22.6613 -8.69565 22.6614 0.271734 GPRESSAVG: 1119600 -24.8177 -59.7402 -7.84506 -63.2062 40.7891 21.0907 -7.06186 22.6719 -0.851983 TIMING: 1119600 CPU: 3364.85, 0.00300673/step Wall: 3364.85, 0.00300673/step, 3.24092 hours remaining, 207.968750 MB of memory in use. ENERGY: 1119600 767.7731 2114.8261 1913.6452 112.9854 -206233.7643 17716.8264 0.0000 0.0000 34471.7091 -149135.9990 301.0500 -183607.7081 -149037.0304 299.2152 -125.0676 -91.7591 556628.8221 5.1529 5.0398 PRESSURE: 1119800 58.7447 -147.356 136.062 -147.357 83.2932 41.7935 136.062 41.7942 14.43 GPRESSURE: 1119800 105.611 -16.7671 134.256 -231.706 72.5439 3.25058 140.789 42.3553 82.8092 PRESSAVG: 1119800 -9.69424 -69.1928 46.1012 -69.1927 32.7063 39.1004 46.1012 39.1003 29.7051 GPRESSAVG: 1119800 -10.4367 -69.4857 44.0818 -68.8913 31.8957 39.9412 47.4851 38.3534 31.5599 TIMING: 1119800 CPU: 3365.46, 0.00301407/step Wall: 3365.46, 0.00301407/step, 3.24867 hours remaining, 207.968750 MB of memory in use. ENERGY: 1119800 770.9721 2070.1645 1950.6872 115.7660 -206108.3638 17759.6912 0.0000 0.0000 34275.6425 -149165.4403 299.3377 -183441.0828 -149072.0660 299.7806 52.1560 86.9882 556884.7730 17.5724 17.6730 PRESSURE: 1120000 -307.421 -6.62827 -131.429 -6.6274 279.822 -57.8452 -131.429 -57.8454 -138.12 GPRESSURE: 1120000 -319.408 18.392 -120.13 19.3048 324.273 6.44902 -124.831 -45.5014 -80.0274 PRESSAVG: 1120000 -34.319 -4.66612 43.6468 -4.66606 23.4973 24.0535 43.6469 24.0535 -15.3294 GPRESSAVG: 1120000 -34.7036 -5.80122 45.7612 -5.30959 25.6396 24.9438 40.405 24.1233 -17.0383 TIMING: 1120000 CPU: 3366.06, 0.00299567/step Wall: 3366.06, 0.00299567/step, 3.22866 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: 1120000 761.2233 2149.0144 1892.3568 114.8423 -206109.4435 17662.1525 0.0000 0.0000 34387.2504 -149142.6038 300.3124 -183529.8542 -149046.6315 299.7505 -55.2396 -25.0542 556573.5681 -8.7170 -8.7008 PRESSURE: 1120200 83.9382 -17.4821 6.22978 -17.4814 -126.547 25.8915 6.23001 25.8921 -93.0157 GPRESSURE: 1120200 90.5065 67.6012 51.1362 -125.762 -38.6914 10.7775 7.04198 34.4072 -80.7126 PRESSAVG: 1120200 -25.5156 -11.6045 -3.19024 -11.6045 25.6761 -47.8985 -3.19024 -47.8984 17.7254 GPRESSAVG: 1120200 -25.9187 -11.5211 -3.44811 -9.59953 25.9284 -49.8431 -1.87986 -47.8746 18.7146 TIMING: 1120200 CPU: 3366.65, 0.00299454/step Wall: 3366.65, 0.00299454/step, 3.22728 hours remaining, 207.968750 MB of memory in use. ENERGY: 1120200 715.7674 2046.7634 1935.3374 103.7785 -205891.0177 17636.7005 0.0000 0.0000 34110.3882 -149342.2823 297.8945 -183452.6705 -149241.9438 299.6518 -45.2081 -9.6325 555951.9864 5.9619 6.2414 LDB: ============= START OF LOAD BALANCING ============== 3370.17 LDB: ============== END OF LOAD BALANCING =============== 3370.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3370.17 LDB: ============= START OF LOAD BALANCING ============== 3370.47 LDB: Largest compute 4794 load 0.025491 is 21.6% of average load 0.117949 LDB: Average compute 0.001736 is 1.5% of average load 0.117949 LDB: TIME 3370.48 LOAD: AVG 0.117949 MAX 0.21353 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.809 MB LDB: TIME 3370.48 LOAD: AVG 0.117949 MAX 0.21353 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.012 MB LDB: TIME 3370.48 LOAD: AVG 0.117949 MAX 0.21353 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.012 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3370.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3370.48 PRESSURE: 1120400 37.1218 118.801 23.6278 118.801 36.9489 -62.9476 23.6281 -62.948 -189.623 GPRESSURE: 1120400 83.2196 102.971 32.9012 161.193 31.6442 -44.333 -21.8594 -117.027 -140.711 PRESSAVG: 1120400 7.75873 29.0615 35.9134 29.0615 -30.9079 -12.1997 35.9135 -12.1999 15.3624 GPRESSAVG: 1120400 9.41902 29.1537 35.9767 28.2573 -30.9534 -10.5776 35.7921 -11.9661 14.3064 TIMING: 1120400 CPU: 3367.27, 0.00306007/step Wall: 3367.27, 0.00306007/step, 3.29774 hours remaining, 206.628906 MB of memory in use. ENERGY: 1120400 785.1377 2087.0462 1938.2111 115.8627 -206197.9894 17870.8819 0.0000 0.0000 34192.1908 -149208.6591 298.6089 -183400.8498 -149114.7370 299.4513 -38.5175 -8.6158 557297.1122 -2.5956 -2.4093 PRESSURE: 1120600 75.3146 10.4161 121.27 10.4152 -209.088 -232.935 121.269 -232.934 -0.99919 GPRESSURE: 1120600 29.0525 -13.7131 177.913 22.9629 -96.7247 -237.196 32.0262 -237.172 32.2626 PRESSAVG: 1120600 44.9424 27.0895 46.2945 27.0897 -23.8433 20.7692 46.2945 20.7691 15.5231 GPRESSAVG: 1120600 45.3392 28.5764 46.3226 28.0584 -24.4282 21.7832 45.0688 19.5903 15.9101 TIMING: 1120600 CPU: 3367.87, 0.00303008/step Wall: 3367.87, 0.00303008/step, 3.26525 hours remaining, 206.832031 MB of memory in use. ENERGY: 1120600 762.6273 2044.5676 1935.7597 115.9174 -206004.4306 17780.1205 0.0000 0.0000 34129.8609 -149235.5772 298.0646 -183365.4381 -149139.4594 299.2386 -44.9243 -11.8032 558315.4598 12.2074 12.2737 PRESSURE: 1120800 24.7061 -36.7154 186.318 -36.7149 329.104 39.4206 186.319 39.419 56.305 GPRESSURE: 1120800 48.2072 21.4149 186.757 -26.1042 346.301 -97.6253 306.552 124.105 116.158 PRESSAVG: 1120800 45.0478 20.9962 8.19537 20.9962 11.4213 3.34605 8.19551 3.346 -86.4754 GPRESSAVG: 1120800 44.4782 20.2376 6.03338 21.4783 13.797 0.332089 8.32119 4.95931 -87.2023 TIMING: 1120800 CPU: 3368.48, 0.00303708/step Wall: 3368.48, 0.00303708/step, 3.27263 hours remaining, 206.832031 MB of memory in use. ENERGY: 1120800 756.2030 2068.6873 1924.4718 118.5045 -206432.9283 18184.7243 0.0000 0.0000 34288.2141 -149092.1233 299.4475 -183380.3374 -148994.5953 299.1436 136.7051 170.2220 557168.1303 -10.0021 -9.6424 PRESSURE: 1121000 -75.8134 -109.938 23.3972 -109.938 -121.486 0.581035 23.3987 0.58101 29.2587 GPRESSURE: 1121000 -42.7774 -63.3317 12.7145 -151.457 -105.299 150.18 7.53942 -5.49809 64.3449 PRESSAVG: 1121000 1.76306 -33.1099 26.7091 -33.1099 67.6276 4.59554 26.7091 4.59557 -53.106 GPRESSAVG: 1121000 2.72322 -32.362 26.2111 -34.9222 65.6718 6.11974 27.5619 4.48295 -52.3065 TIMING: 1121000 CPU: 3369.09, 0.00302925/step Wall: 3369.09, 0.00302925/step, 3.26401 hours remaining, 206.832031 MB of memory in use. ENERGY: 1121000 759.0337 2079.6894 1943.0911 104.2614 -205971.5663 17733.6907 0.0000 0.0000 34152.0921 -149199.7077 298.2587 -183351.7998 -149110.0730 299.3148 -56.0137 -27.9106 558072.4214 5.4282 5.3629 PRESSURE: 1121200 2.63656 -163.833 -70.3594 -163.833 -92.0283 63.3971 -70.3593 63.3964 -392.084 GPRESSURE: 1121200 -46.0886 -264.941 -69.4248 -129.553 -66.3743 101.454 -193.441 -32.253 -260.294 PRESSAVG: 1121200 -18.713 13.4615 -23.1084 13.4615 2.4988 -24.9796 -23.1084 -24.9796 38.3892 GPRESSAVG: 1121200 -19.466 11.8226 -20.5643 14.2977 3.74177 -23.6849 -23.2269 -25.9171 38.3055 TIMING: 1121200 CPU: 3369.69, 0.0030456/step Wall: 3369.69, 0.0030456/step, 3.28147 hours remaining, 206.832031 MB of memory in use. ENERGY: 1121200 742.4952 1995.1157 1942.8322 105.6783 -206116.1077 17730.0138 0.0000 0.0000 34306.8256 -149293.1468 299.6100 -183599.9725 -149196.3288 298.9436 -160.4920 -124.2522 558112.1939 7.3917 7.5271 PRESSURE: 1121400 -277.713 -122.029 112.936 -122.029 -186.677 -96.462 112.937 -96.4622 -89.0209 GPRESSURE: 1121400 -209.46 -172.283 218.238 -113.209 -190.245 -165.199 67.885 -95.4411 -54.1204 PRESSAVG: 1121400 -57.2896 -41.1446 39.0826 -41.1446 50.0301 -37.6594 39.0824 -37.6593 14.4982 GPRESSAVG: 1121400 -57.2327 -40.4434 40.1355 -42.0445 48.8834 -37.8943 36.2085 -37.4524 16.0684 TIMING: 1121400 CPU: 3370.3, 0.00300378/step Wall: 3370.3, 0.00300378/step, 3.23624 hours remaining, 206.832031 MB of memory in use. ENERGY: 1121400 760.2899 2062.0592 1937.8018 114.0120 -205811.9807 17548.0528 0.0000 0.0000 34152.6529 -149237.1122 298.2636 -183389.7651 -149140.0478 299.0000 -184.4703 -151.2751 558456.2890 2.4129 2.5730 PRESSURE: 1121600 243.098 -252.183 19.5776 -252.184 153.464 -65.0672 19.5784 -65.0662 -235.623 GPRESSURE: 1121600 202.225 -216.07 121.75 -271.718 161.764 17.2712 -8.5033 -3.30344 -115.801 PRESSAVG: 1121600 -26.7859 -23.0807 27.648 -23.0807 22.2026 -66.1815 27.648 -66.1815 -28.1787 GPRESSAVG: 1121600 -25.5187 -22.0867 26.3941 -23.3683 21.6871 -66.005 31.0698 -65.5145 -29.2114 TIMING: 1121600 CPU: 3370.9, 0.00304719/step Wall: 3370.9, 0.00304719/step, 3.28284 hours remaining, 206.832031 MB of memory in use. ENERGY: 1121600 728.4761 2037.7811 1929.5116 119.3129 -206511.7894 18043.8443 0.0000 0.0000 34372.4263 -149280.4370 300.1829 -183652.8633 -149182.5472 298.9432 53.6464 82.7293 556600.3083 -10.9207 -11.0143 PRESSURE: 1121800 -261.884 52.5234 56.9189 52.5229 -87.9453 -74.3736 56.9179 -74.3736 -58.0798 GPRESSURE: 1121800 -162.419 100.111 25.1719 11.8206 -148.371 -120.564 113.637 15.406 8.13614 PRESSAVG: 1121800 10.819 4.33783 -4.84278 4.33786 44.7715 -22.6455 -4.84279 -22.6455 -33.1334 GPRESSAVG: 1121800 10.9092 3.41241 -7.26138 5.19946 44.1749 -24.3729 -4.15393 -21.3241 -32.4683 TIMING: 1121800 CPU: 3371.52, 0.00305243/step Wall: 3371.52, 0.00305243/step, 3.28832 hours remaining, 206.832031 MB of memory in use. ENERGY: 1121800 743.0085 2068.7279 1921.4024 104.3483 -205938.2815 17605.7315 0.0000 0.0000 34344.5653 -149150.4976 299.9396 -183495.0629 -149050.7176 299.0033 -135.9696 -100.8845 559025.7083 7.4857 7.5386 PRESSURE: 1122000 180.269 -141.669 -27.2538 -141.669 -109.226 -170.388 -27.2541 -170.388 217.027 GPRESSURE: 1122000 234.706 -110.443 -40.4837 -82.3004 -30.9881 -114.295 -65.9982 -142.739 173.265 PRESSAVG: 1122000 48.6595 7.79479 -7.59072 7.79479 -30.8434 13.0237 -7.59071 13.0238 -15.5127 GPRESSAVG: 1122000 49.055 8.24786 -5.72207 7.1312 -29.6838 13.7641 -9.45358 10.4298 -16.6188 TIMING: 1122000 CPU: 3372.12, 0.00304713/step Wall: 3372.12, 0.00304713/step, 3.28244 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: 1122000 745.1220 2095.7992 1909.4630 126.0162 -206187.4339 17947.0218 0.0000 0.0000 34098.3516 -149265.6600 297.7894 -183364.0116 -149174.6869 299.5707 96.0233 125.6611 558107.2827 0.7678 0.9175 PRESSURE: 1122200 157.468 108.574 58.7579 108.573 97.0126 33.8777 58.7568 33.8788 90.8302 GPRESSURE: 1122200 159.07 77.5551 82.432 153.835 141.687 21.1015 20.5922 47.8481 141.942 PRESSAVG: 1122200 3.49293 112.072 -22.671 112.072 -2.38886 0.967617 -22.6709 0.967656 -7.48448 GPRESSAVG: 1122200 3.14811 111.096 -20.7186 113.128 -2.93419 -1.21144 -24.584 1.97761 -6.43155 TIMING: 1122200 CPU: 3372.73, 0.00302317/step Wall: 3372.73, 0.00302317/step, 3.25646 hours remaining, 206.832031 MB of memory in use. ENERGY: 1122200 732.4585 2083.5519 1920.6670 115.9586 -206414.9281 17940.6924 0.0000 0.0000 34049.6607 -149571.9389 297.3642 -183621.5997 -149471.5391 298.7077 115.1035 147.5663 555804.5094 -2.1268 -2.0725 PRESSURE: 1122400 -19.3306 -112.503 -28.7391 -112.502 -156.473 -203.939 -28.74 -203.938 195.03 GPRESSURE: 1122400 7.68192 -89.7966 -38.0569 -75.6038 -110.624 -181.739 -86.6614 -123.738 224.152 PRESSAVG: 1122400 17.6326 4.92641 -14.6472 4.92643 18.2652 23.2495 -14.6471 23.2495 -49.8366 GPRESSAVG: 1122400 18.4316 5.47839 -17.8288 4.0593 18.482 24.3868 -10.6021 22.2462 -50.2419 TIMING: 1122400 CPU: 3373.33, 0.00302484/step Wall: 3373.33, 0.00302484/step, 3.25808 hours remaining, 206.832031 MB of memory in use. ENERGY: 1122400 745.4710 1985.7093 1944.3389 108.5792 -206658.6269 17879.9156 0.0000 0.0000 34303.1740 -149691.4388 299.5782 -183994.6128 -149598.2612 298.4556 6.4088 40.4036 554571.3066 -4.6463 -4.4428 PRESSURE: 1122600 -49.0103 156.97 -222.169 156.97 107.698 -114.594 -222.168 -114.593 150.167 GPRESSURE: 1122600 57.8733 100.995 -167.502 188.278 70.9256 -27.881 -208.188 -54.7657 178.381 PRESSAVG: 1122600 28.5954 9.2441 4.45092 9.24411 -34.4324 42.6177 4.45096 42.6175 50.8333 GPRESSAVG: 1122600 28.9315 8.43758 6.11589 11.8617 -35.0741 42.9291 3.25734 42.6526 51.0785 TIMING: 1122600 CPU: 3373.94, 0.00304013/step Wall: 3373.94, 0.00304013/step, 3.27439 hours remaining, 206.832031 MB of memory in use. ENERGY: 1122600 712.1305 2055.6132 1935.9575 112.7033 -206373.5617 17869.6075 0.0000 0.0000 34177.2733 -149510.2763 298.4786 -183687.5496 -149411.2338 298.5262 69.6183 102.3932 555668.2705 14.9988 14.9786 PRESSURE: 1122800 -344.574 -49.3399 -24.0801 -49.3387 -34.8592 -64.4248 -24.0788 -64.4243 -109.084 GPRESSURE: 1122800 -231.849 -98.6459 20.7272 -37.3904 -45.1802 -115.743 -31.6675 47.4588 -105.421 PRESSAVG: 1122800 -25.2125 16.0719 -34.3893 16.0719 19.7176 31.3932 -34.3892 31.3932 -4.99637 GPRESSAVG: 1122800 -25.0527 17.5621 -34.5193 15.9001 19.7168 31.8147 -36.8665 32.7063 -5.32055 TIMING: 1122800 CPU: 3374.55, 0.00304242/step Wall: 3374.55, 0.00304242/step, 3.27669 hours remaining, 206.832031 MB of memory in use. ENERGY: 1122800 723.9416 2042.7884 1943.4499 100.2337 -206003.7523 17557.9588 0.0000 0.0000 34067.1889 -149568.1910 297.5172 -183635.3799 -149469.6166 298.0804 -162.8390 -127.4835 555908.0697 -3.4971 -3.5522 PRESSURE: 1123000 223.361 146.141 -40.6477 146.141 84.1504 -59.9718 -40.647 -59.9718 -288.991 GPRESSURE: 1123000 225.701 69.3895 22.1633 172.949 170.002 -60.8481 -48.0879 -27.5759 -285.19 PRESSAVG: 1123000 52.8274 -48.4682 11.7313 -48.4681 68.4554 65.2501 11.7312 65.2501 -77.7277 GPRESSAVG: 1123000 51.6534 -49.141 11.6562 -49.6411 68.7527 66.2302 13.7222 65.4436 -77.1776 TIMING: 1123000 CPU: 3375.15, 0.00300606/step Wall: 3375.15, 0.00300606/step, 3.23735 hours remaining, 206.832031 MB of memory in use. ENERGY: 1123000 745.7450 2077.4759 1951.5572 110.8295 -206320.4270 17587.5571 0.0000 0.0000 34210.9966 -149636.2657 298.7731 -183847.2624 -149545.6908 297.4684 6.1736 36.8376 554118.1184 14.5184 14.4095 PRESSURE: 1123200 69.2365 12.4495 136.452 12.4495 174.563 14.4152 136.451 14.4151 249.457 GPRESSURE: 1123200 72.8224 27.7366 140.803 -9.00524 166.594 67.6821 152.411 -19.9307 336.123 PRESSAVG: 1123200 56.6506 33.2128 -23.9035 33.2128 -58.3005 14.0584 -23.9035 14.0584 5.09247 GPRESSAVG: 1123200 56.7075 33.1063 -24.1146 33.0916 -57.5314 13.9081 -24.068 14.2351 4.457 TIMING: 1123200 CPU: 3375.76, 0.00304297/step Wall: 3375.76, 0.00304297/step, 3.27694 hours remaining, 206.832031 MB of memory in use. ENERGY: 1123200 747.3169 2053.6494 1939.2355 112.6703 -206526.5271 17862.5471 0.0000 0.0000 34146.8136 -149664.2942 298.2126 -183811.1079 -149566.5107 298.4934 164.4188 191.8462 555038.0749 1.1475 1.2111 PRESSURE: 1123400 79.7387 153.346 10.6088 153.346 227.486 47.315 10.6092 47.3151 -25.5258 GPRESSURE: 1123400 116.601 197.24 -62.4399 208.706 211.087 48.0457 38.5223 106.899 58.7836 PRESSAVG: 1123400 2.92537 35.7706 35.9405 35.7707 -17.1654 -15.9471 35.9405 -15.9472 13.3536 GPRESSAVG: 1123400 3.45204 36.4406 35.1448 37.1701 -18.8403 -16.5499 35.2355 -16.956 14.2266 TIMING: 1123400 CPU: 3376.36, 0.00300534/step Wall: 3376.36, 0.00300534/step, 3.23625 hours remaining, 206.832031 MB of memory in use. ENERGY: 1123400 778.1434 2039.5046 1920.2087 113.6830 -206449.7394 17813.9011 0.0000 0.0000 34109.8901 -149674.4083 297.8902 -183784.2985 -149576.0818 297.6750 93.8997 128.8237 555364.9582 -0.2955 -0.3872 PRESSURE: 1123600 133.411 -30.7331 129.474 -30.7332 -36.8199 -65.8686 129.473 -65.8679 16.6524 GPRESSURE: 1123600 138.906 -3.43101 171.469 -55.7265 25.8331 -74.0819 137.53 -11.1179 39.9785 PRESSAVG: 1123600 27.1559 -8.37656 -5.66511 -8.37653 -2.10962 9.95088 -5.6651 9.95089 25.1034 GPRESSAVG: 1123600 27.8156 -7.64761 -5.06081 -9.4291 -2.04267 9.94722 -4.24481 9.61823 24.8321 TIMING: 1123600 CPU: 3376.96, 0.00299269/step Wall: 3376.96, 0.00299269/step, 3.22246 hours remaining, 206.832031 MB of memory in use. ENERGY: 1123600 727.5454 2064.5809 1910.9539 117.9892 -206424.0498 17794.7258 0.0000 0.0000 34260.2314 -149548.0232 299.2031 -183808.2546 -149451.4166 298.2610 37.7478 68.2391 555823.3129 16.7166 16.8683 PRESSURE: 1123800 -389.614 7.31239 -5.13027 7.3132 -124.737 -127.913 -5.12981 -127.915 -17.7844 GPRESSURE: 1123800 -364.024 -2.16854 -37.9364 45.7946 -44.5833 -168.766 64.6066 -85.0519 -17.5915 PRESSAVG: 1123800 11.4695 5.41109 7.59886 5.41107 47.9571 -19.7772 7.5989 -19.7773 -55.8744 GPRESSAVG: 1123800 10.3425 7.69132 8.18692 1.75866 50.6704 -18.4057 6.05377 -20.4773 -57.1279 TIMING: 1123800 CPU: 3377.56, 0.00301828/step Wall: 3377.56, 0.00301828/step, 3.24985 hours remaining, 206.832031 MB of memory in use. ENERGY: 1123800 769.9635 2079.6157 1932.7982 100.4906 -206116.4775 17483.1402 0.0000 0.0000 34150.0396 -149600.4297 298.2408 -183750.4693 -149506.5842 298.3910 -177.3787 -142.0662 555241.4858 1.1840 1.2950 PRESSURE: 1124000 -248.841 2.96809 -193.333 2.96911 -8.7883 -34.5627 -193.332 -34.5624 155.422 GPRESSURE: 1124000 -182.854 -120.921 -176.014 65.937 10.5143 -43.2559 -156.443 31.5161 160.449 PRESSAVG: 1124000 19.3035 -25.1653 0.0540618 -25.1653 46.5463 -17.3516 0.0540676 -17.3517 -32.4792 GPRESSAVG: 1124000 20.7691 -29.3496 -1.94145 -21.0786 44.2847 -19.2086 1.40876 -16.051 -31.621 TIMING: 1124000 CPU: 3378.17, 0.00301638/step Wall: 3378.17, 0.00301638/step, 3.24764 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: 1124000 765.3705 2057.6271 1928.0070 106.1545 -206435.3838 17876.7341 0.0000 0.0000 34053.4943 -149647.9963 297.3976 -183701.4906 -149553.8502 298.0647 -34.0693 -3.9637 556811.6989 11.1235 11.1443 PRESSURE: 1124200 302.687 -13.784 -78.8449 -13.784 110.659 146.131 -78.8461 146.132 -140.09 GPRESSURE: 1124200 304.824 -41.5284 -85.7287 88.5168 151.484 142.816 -73.5921 57.0913 -90.5706 PRESSAVG: 1124200 41.9718 52.1642 12.022 52.1642 77.8046 -9.56351 12.0221 -9.5634 -81.308 GPRESSAVG: 1124200 41.7134 53.9476 15.2512 50.1654 77.9441 -9.53543 11.5866 -10.0341 -81.3492 TIMING: 1124200 CPU: 3378.77, 0.00301757/step Wall: 3378.77, 0.00301757/step, 3.24874 hours remaining, 206.832031 MB of memory in use. ENERGY: 1124200 739.2251 2106.3145 1937.5546 114.2144 -206289.3660 17853.1902 0.0000 0.0000 33991.5620 -149547.3052 296.8568 -183538.8671 -149456.3415 298.1602 91.0855 121.9124 555986.2922 12.8228 12.7694 LDB: ============= START OF LOAD BALANCING ============== 3382.29 LDB: ============== END OF LOAD BALANCING =============== 3382.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3382.29 LDB: ============= START OF LOAD BALANCING ============== 3382.59 LDB: Largest compute 4794 load 0.025175 is 21.3% of average load 0.117945 LDB: Average compute 0.001739 is 1.5% of average load 0.117945 LDB: TIME 3382.59 LOAD: AVG 0.117945 MAX 0.211711 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.141 MB LDB: TIME 3382.59 LOAD: AVG 0.117945 MAX 0.211711 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.344 MB LDB: TIME 3382.59 LOAD: AVG 0.117945 MAX 0.211711 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.344 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3382.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3382.6 PRESSURE: 1124400 -5.17649 -95.5786 -41.442 -95.5791 -172.737 96.5784 -41.4406 96.5793 -13.883 GPRESSURE: 1124400 -6.84963 -75.4516 -96.3506 -43.1497 -98.3354 125.524 50.5451 62.4131 10.8765 PRESSAVG: 1124400 -22.5013 -12.1108 -28.3876 -12.1108 62.5745 13.0368 -28.3876 13.0368 -52.4941 GPRESSAVG: 1124400 -22.5604 -12.1023 -29.817 -11.951 62.9067 13.8796 -27.5584 13.8028 -52.7247 TIMING: 1124400 CPU: 3379.38, 0.00306635/step Wall: 3379.38, 0.00306635/step, 3.30109 hours remaining, 206.628906 MB of memory in use. ENERGY: 1124400 755.7998 2129.0874 1908.7372 115.8577 -206252.7509 17806.2212 0.0000 0.0000 33978.3332 -149558.7143 296.7412 -183537.0475 -149466.3091 297.6616 -63.9321 -31.4362 557552.6853 -4.1403 -4.1261 PRESSURE: 1124600 -411.21 -14.6878 38.0622 -14.6886 -196.638 50.0824 38.063 50.0831 -115.89 GPRESSURE: 1124600 -349.764 21.2812 39.9663 9.76121 -183.505 109.175 -22.2823 91.9978 -98.8165 PRESSAVG: 1124600 -30.2268 -11.5247 37.3011 -11.5246 74.8289 14.9009 37.301 14.9009 -13.6475 GPRESSAVG: 1124600 -31.3151 -12.8729 37.8014 -10.9888 74.7807 15.2874 35.6855 14.324 -12.6535 TIMING: 1124600 CPU: 3380, 0.00307043/step Wall: 3380, 0.00307043/step, 3.30532 hours remaining, 206.628906 MB of memory in use. ENERGY: 1124600 779.0610 2111.2148 1924.2470 120.4543 -205917.1028 17423.9685 0.0000 0.0000 34194.4249 -149363.7321 298.6284 -183558.1571 -149274.0779 298.3427 -241.2459 -210.6949 557409.6466 10.3182 10.2707 PRESSURE: 1124800 -3.10474 105.212 15.8286 105.213 -55.9441 -31.0287 15.8275 -31.0292 22.4459 GPRESSURE: 1124800 16.9152 188.819 -49.0445 137.65 -55.9789 17.6148 112.444 -39.7336 92.9217 PRESSAVG: 1124800 -10.2262 31.9447 84.4551 31.9447 -49.5725 5.4734 84.4551 5.47347 21.1361 GPRESSAVG: 1124800 -9.66742 33.5922 85.4189 32.8944 -49.0626 5.25826 85.3417 5.44741 19.7213 TIMING: 1124800 CPU: 3380.61, 0.00304884/step Wall: 3380.61, 0.00304884/step, 3.2819 hours remaining, 206.628906 MB of memory in use. ENERGY: 1124800 713.4916 2059.1853 1937.7776 113.0927 -206281.4342 17770.5974 0.0000 0.0000 34356.2088 -149331.0807 300.0413 -183687.2895 -149234.9083 298.7402 -12.2010 17.9527 558485.2951 -12.8875 -13.0029 PRESSURE: 1125000 -116.322 -51.51 21.6489 -51.5099 -185.976 15.0176 21.6493 15.0179 -116.425 GPRESSURE: 1125000 -68.1218 -157.3 16.5866 -15.4065 -73.097 119.448 3.5672 -10.9125 -170.023 PRESSAVG: 1125000 43.4971 -15.1451 3.41916 -15.1451 -97.4224 -19.3193 3.41924 -19.3193 85.545 GPRESSAVG: 1125000 44.5334 -17.1174 -0.49805 -15.1134 -99.0722 -21.1763 4.68888 -19.2702 86.0945 TIMING: 1125000 CPU: 3381.21, 0.00302282/step Wall: 3381.21, 0.00302282/step, 3.25373 hours remaining, 206.628906 MB of memory in use. ENERGY: 1125000 783.5841 2110.5922 1939.3599 126.6011 -206186.6323 17687.2779 0.0000 0.0000 34099.3844 -149439.8326 297.7984 -183539.2170 -149342.9187 298.6997 -139.5744 -103.7474 559153.1516 10.5399 10.5186 PRESSURE: 1125200 157.221 -158.503 39.4482 -158.503 -94.7192 -178.055 39.4487 -178.057 -236.035 GPRESSURE: 1125200 165.62 -179.496 32.8143 -116.655 -39.0662 -142.729 41.3283 -221.923 -199.166 PRESSAVG: 1125200 97.9501 -42.733 -8.59847 -42.733 -35.7345 -37.7682 -8.59852 -37.7681 -3.96387 GPRESSAVG: 1125200 96.7688 -42.3272 -6.91422 -43.1675 -35.8084 -38.0298 -10.1228 -34.3213 -2.84731 TIMING: 1125200 CPU: 3381.82, 0.00301997/step Wall: 3381.82, 0.00301997/step, 3.2505 hours remaining, 206.628906 MB of memory in use. ENERGY: 1125200 758.0355 2063.6664 1914.6812 113.1189 -206221.4023 17787.3341 0.0000 0.0000 34487.5713 -149096.9949 301.1885 -183584.5662 -149001.8899 298.5020 -57.8445 -24.2040 558595.7392 19.4172 19.3710 PRESSURE: 1125400 63.2466 -121.675 55.758 -121.676 -3.8269 -110.389 55.7571 -110.389 -19.3663 GPRESSURE: 1125400 129.746 -179.065 -20.2836 -102.23 0.573511 -70.4636 39.362 -176.939 2.67441 PRESSAVG: 1125400 111.479 1.88558 40.8169 1.88552 -80.1054 -79.9908 40.8168 -79.9909 -26.893 GPRESSAVG: 1125400 112.195 2.40862 40.6003 1.10723 -79.9753 -78.3895 42.6996 -82.0203 -27.6548 TIMING: 1125400 CPU: 3382.43, 0.00305164/step Wall: 3382.43, 0.00305164/step, 3.28441 hours remaining, 206.628906 MB of memory in use. ENERGY: 1125400 756.6196 2103.6878 1936.0806 116.9110 -206290.8845 17761.5444 0.0000 0.0000 34395.0734 -149220.9677 300.3807 -183616.0411 -149121.8956 299.5092 13.3511 44.3313 557256.1191 1.4937 1.5216 PRESSURE: 1125600 1.91488 40.4895 -84.2221 40.4899 57.8038 -36.3486 -84.2235 -36.3471 55.9221 GPRESSURE: 1125600 76.7256 28.9977 -135.845 110.598 64.9344 -5.54505 -33.1455 -19.6177 81.883 PRESSAVG: 1125600 33.3049 24.9803 -18.1437 24.9803 -17.6929 16.0478 -18.1437 16.0479 -47.2176 GPRESSAVG: 1125600 33.1128 25.9725 -17.2037 24.8079 -17.8688 14.6487 -20.1523 16.3804 -47.4282 TIMING: 1125600 CPU: 3383.03, 0.00301797/step Wall: 3383.03, 0.00301797/step, 3.24801 hours remaining, 206.628906 MB of memory in use. ENERGY: 1125600 735.3755 2064.1718 1924.9424 112.6664 -206075.3343 17761.2163 0.0000 0.0000 34131.8926 -149345.0692 298.0823 -183476.9618 -149249.3531 298.9574 38.5469 74.5143 558219.7695 -10.5352 -10.7281 PRESSURE: 1125800 -53.1892 15.8941 -43.5483 15.8945 -94.3771 -256.943 -43.5478 -256.943 -61.0214 GPRESSURE: 1125800 32.3197 55.6221 47.2515 -110.99 -127.571 -229.219 -103.561 -258.301 -3.93553 PRESSAVG: 1125800 -4.61316 3.17895 -6.92229 3.17893 -8.67063 37.3777 -6.92221 37.3778 31.7147 GPRESSAVG: 1125800 -4.65702 3.40254 -7.35264 3.17937 -7.76881 38.2261 -6.23958 35.725 30.6182 TIMING: 1125800 CPU: 3383.63, 0.00300553/step Wall: 3383.63, 0.00300553/step, 3.23445 hours remaining, 206.628906 MB of memory in use. ENERGY: 1125800 740.1370 2052.5114 1945.7914 117.0479 -206384.1537 17811.9371 0.0000 0.0000 34289.8094 -149426.9195 299.4614 -183716.7289 -149334.7850 299.1132 -69.5292 -33.0623 557948.4531 6.1437 6.0641 PRESSURE: 1126000 -188.804 -89.8383 232.156 -89.8377 131.417 -87.1052 232.156 -87.1047 206.38 GPRESSURE: 1126000 -206.448 -104.687 264.727 -97.3487 226.911 -80.4627 240.04 -99.4255 207.053 PRESSAVG: 1126000 8.44477 32.1392 -43.0004 32.1392 -20.5932 -14.6498 -43.0003 -14.6497 46.5209 GPRESSAVG: 1126000 6.94976 31.3014 -42.7865 32.6102 -21.7091 -15.3326 -45.1711 -12.946 48.5276 TIMING: 1126000 CPU: 3384.23, 0.00301146/step Wall: 3384.23, 0.00301146/step, 3.24066 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: 1126000 724.0224 2078.9502 1940.4192 116.3923 -206619.3604 17995.1974 0.0000 0.0000 34238.5349 -149525.8441 299.0136 -183764.3789 -149435.7081 298.5753 49.6645 75.8389 556631.4714 11.4575 11.2561 PRESSURE: 1126200 -202.671 -103.205 3.1754 -103.206 53.207 107.02 3.17534 107.019 -168.531 GPRESSURE: 1126200 -174.225 -38.3127 -20.6929 -160.41 125.332 115.212 -17.6034 59.5261 -191.887 PRESSAVG: 1126200 -62.103 -3.33661 2.0099 -3.33663 63.9152 3.26874 2.00998 3.26889 -7.25296 GPRESSAVG: 1126200 -60.2541 -2.47753 2.95873 -5.26167 63.4387 5.81174 3.60936 1.72695 -8.06037 TIMING: 1126200 CPU: 3384.84, 0.00302635/step Wall: 3384.84, 0.00302635/step, 3.25652 hours remaining, 206.628906 MB of memory in use. ENERGY: 1126200 719.0223 2085.3488 1932.5220 104.7931 -206203.7915 17645.7272 0.0000 0.0000 34240.6188 -149475.7593 299.0318 -183716.3781 -149385.3472 299.3907 -105.9981 -80.2598 557228.5779 -1.8136 -1.6253 PRESSURE: 1126400 60.6823 25.678 -133.911 25.6788 136.595 -126.592 -133.911 -126.592 -160.377 GPRESSURE: 1126400 77.3092 45.5096 -101.23 -36.8287 164.293 -26.7534 -237.429 -100.265 -121.354 PRESSAVG: 1126400 -34.1677 10.1058 -44.3117 10.1059 -7.0423 -14.1217 -44.3118 -14.1217 -18.8178 GPRESSAVG: 1126400 -34.9745 9.96401 -44.0348 11.2881 -5.45999 -16.1289 -44.6778 -14.4693 -19.5205 TIMING: 1126400 CPU: 3385.45, 0.00303551/step Wall: 3385.45, 0.00303551/step, 3.26621 hours remaining, 206.628906 MB of memory in use. ENERGY: 1126400 767.3419 2102.1261 1955.3295 105.4407 -206322.8861 17820.1515 0.0000 0.0000 34213.9787 -149358.5176 298.7992 -183572.4963 -149270.2949 298.5092 12.2999 40.0828 555658.4721 -20.0093 -19.9850 PRESSURE: 1126600 407.221 -164.275 106.208 -164.274 268.803 44.6026 106.208 44.603 34.3288 GPRESSURE: 1126600 414.441 -155.633 37.7419 -168.191 310.85 71.0807 76.7764 87.0563 79.096 PRESSAVG: 1126600 -27.5701 -45.8613 -54.553 -45.8613 47.8687 5.70823 -54.5529 5.70821 -39.1783 GPRESSAVG: 1126600 -28.0009 -46.5565 -55.2013 -47.2017 46.9473 8.0696 -54.7037 5.80061 -38.2681 TIMING: 1126600 CPU: 3386.05, 0.00300613/step Wall: 3386.05, 0.00300613/step, 3.23443 hours remaining, 206.628906 MB of memory in use. ENERGY: 1126600 688.8078 2135.5569 1916.6766 102.2588 -206785.3936 18163.1828 0.0000 0.0000 34516.2310 -149262.6798 301.4388 -183778.9108 -149161.6779 299.2346 236.7841 268.1290 557088.6771 -6.2932 -6.4406 PRESSURE: 1126800 44.6957 18.9869 -41.7307 18.9857 -79.8954 89.4082 -41.7308 89.4097 -26.83 GPRESSURE: 1126800 -5.65741 50.4455 -162.358 -40.3489 11.0337 92.2045 114.722 78.5382 33.0086 PRESSAVG: 1126800 -21.5626 -44.1818 -45.0711 -44.1818 14.8816 -29.138 -45.071 -29.138 63.6879 GPRESSAVG: 1126800 -21.9984 -44.193 -45.992 -42.0224 15.7168 -30.2443 -44.5319 -30.8281 63.6535 TIMING: 1126800 CPU: 3386.65, 0.00302189/step Wall: 3386.65, 0.00302189/step, 3.25121 hours remaining, 206.628906 MB of memory in use. ENERGY: 1126800 772.5212 2116.3178 1915.4252 114.0787 -206302.1829 17730.9177 0.0000 0.0000 34372.5779 -149280.3443 300.1843 -183652.9222 -149172.8618 299.8466 -20.6766 12.7950 556803.7469 19.0023 19.1240 PRESSURE: 1127000 238.991 -2.15273 114.727 -2.15352 -145.767 46.2132 114.726 46.2144 -195.497 GPRESSURE: 1127000 307.436 -36.3672 74.4945 -14.6434 -138.666 11.6553 157.163 -12.5174 -170.551 PRESSAVG: 1127000 -19.1192 5.37816 -10.0344 5.37812 119.635 -18.6615 -10.0344 -18.6615 -78.7681 GPRESSAVG: 1127000 -18.4702 4.67661 -9.62341 5.62127 120.426 -19.8111 -9.94199 -17.0258 -79.6923 TIMING: 1127000 CPU: 3387.26, 0.00301683/step Wall: 3387.26, 0.00301683/step, 3.24561 hours remaining, 206.628906 MB of memory in use. ENERGY: 1127000 749.9052 2065.7484 1927.0994 113.6945 -206014.1908 17748.3041 0.0000 0.0000 34156.2122 -149253.2271 298.2947 -183409.4392 -149159.5103 299.4723 -34.0912 -0.5936 558340.1278 7.2493 7.4210 PRESSURE: 1127200 -62.6095 -36.7278 -129.162 -36.7284 -375.103 -108.829 -129.162 -108.829 -16.0152 GPRESSURE: 1127200 1.65709 -24.7771 -49.1482 46.2016 -333.609 -41.1652 -168.839 -30.0439 -14.9885 PRESSAVG: 1127200 81.659 -9.60635 -10.5158 -9.60632 -7.79322 9.79514 -10.5159 9.79508 -36.8749 GPRESSAVG: 1127200 80.7184 -9.13194 -8.29362 -8.41387 -8.99891 7.00938 -11.5262 11.2338 -34.5453 TIMING: 1127200 CPU: 3387.86, 0.00301137/step Wall: 3387.86, 0.00301137/step, 3.23956 hours remaining, 206.628906 MB of memory in use. ENERGY: 1127200 747.5674 2059.6904 1921.0857 116.1552 -206150.3031 17719.4996 0.0000 0.0000 34446.0856 -149140.2192 300.8262 -183586.3049 -149036.4353 299.9947 -151.2425 -115.6467 558687.4282 12.3303 12.3914 PRESSURE: 1127400 237.102 18.8348 61.2244 18.8335 -294.891 -136.805 61.2236 -136.805 209.296 GPRESSURE: 1127400 232.201 36.6944 65.3522 -59.2494 -260.168 -101.519 -1.53418 -124.942 279.65 PRESSAVG: 1127400 -3.03619 -46.9087 -21.8109 -46.9088 61.5237 -31.2066 -21.8109 -31.2066 -44.3333 GPRESSAVG: 1127400 -3.23093 -47.5967 -23.5004 -48.0313 63.0085 -27.1982 -21.3556 -32.5279 -45.7213 TIMING: 1127400 CPU: 3388.47, 0.00306538/step Wall: 3388.47, 0.00306538/step, 3.2975 hours remaining, 206.628906 MB of memory in use. ENERGY: 1127400 696.0368 2096.9613 1939.6738 118.9509 -206014.0659 17609.0781 0.0000 0.0000 34511.8490 -149041.5160 301.4006 -183553.3650 -148943.8143 299.9045 50.5024 83.8944 557305.7510 4.7181 4.6854 PRESSURE: 1127600 -222.803 79.66 13.7513 79.6596 -113.697 26.6551 13.7513 26.6554 77.9677 GPRESSURE: 1127600 -188.27 102.785 56.5287 49.7405 -105.336 -108.426 -23.7639 35.1614 131.618 PRESSAVG: 1127600 -1.3662 24.4816 -59.621 24.4815 -59.3518 -2.9512 -59.621 -2.95125 51.2366 GPRESSAVG: 1127600 -0.101004 24.76 -58.3251 23.8972 -60.9117 -4.75061 -59.2517 -2.31353 51.8297 TIMING: 1127600 CPU: 3389.08, 0.00302515/step Wall: 3389.08, 0.00302515/step, 3.25405 hours remaining, 206.628906 MB of memory in use. ENERGY: 1127600 758.2001 2114.6703 1882.2203 116.1404 -206040.7231 17702.4181 0.0000 0.0000 34198.5170 -149268.5569 298.6642 -183467.0739 -149170.8580 299.1959 -86.1774 -53.9959 556959.4805 -3.1605 -3.0610 PRESSURE: 1127800 -7.65046 -58.3656 -165.091 -58.3647 -97.2576 36.8263 -165.09 36.8276 -235.759 GPRESSURE: 1127800 15.607 -69.8382 -212.712 -79.7829 -79.9737 78.9316 -206.818 43.8935 -187.327 PRESSAVG: 1127800 13.1361 28.4988 4.8591 28.4989 -26.8716 23.0702 4.85904 23.0702 -18.352 GPRESSAVG: 1127800 12.9504 30.0622 2.77849 28.0711 -26.9229 23.4466 3.44819 22.3486 -18.2804 TIMING: 1127800 CPU: 3389.67, 0.00298325/step Wall: 3389.67, 0.00298325/step, 3.20882 hours remaining, 206.628906 MB of memory in use. ENERGY: 1127800 736.5255 2118.0335 1908.9551 114.9739 -206086.4270 17806.4552 0.0000 0.0000 33948.6512 -149452.8325 296.4820 -183401.4837 -149359.6959 298.6713 -113.5558 -83.8979 558742.3581 -10.6958 -10.7510 PRESSURE: 1128000 99.5444 -71.812 -34.7714 -71.8128 -44.3973 60.0629 -34.7716 60.0629 -113.186 GPRESSURE: 1128000 112.064 55.6408 -72.0934 -84.4856 2.18002 -32.9796 -61.8254 167.919 -66.7157 PRESSAVG: 1128000 31.7968 -55.2492 46.5026 -55.2492 -3.43764 -13.4856 46.5026 -13.4855 -29.061 GPRESSAVG: 1128000 31.7812 -56.4111 48.3122 -54.807 -4.06927 -12.7155 46.9234 -12.2212 -28.4932 TIMING: 1128000 CPU: 3390.27, 0.00299472/step Wall: 3390.27, 0.00299472/step, 3.22098 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: 1128000 708.9126 2088.8752 1923.4172 106.8971 -206516.3918 17936.1397 0.0000 0.0000 34157.0530 -149595.0970 298.3020 -183752.1500 -149497.0535 298.6351 -19.3462 15.8426 557248.0272 -0.2340 -0.2604 PRESSURE: 1128200 -171.288 66.7908 -10.1079 66.7909 79.1029 -10.8576 -10.108 -10.8586 -135.784 GPRESSURE: 1128200 -150.319 48.601 17.0173 82.3362 128.837 -20.9605 -44.6474 -22.5299 -93.5596 PRESSAVG: 1128200 19.0617 -30.2255 7.95307 -30.2255 51.1661 11.7743 7.95305 11.7742 -82.863 GPRESSAVG: 1128200 18.3482 -29.8685 6.56369 -29.8993 52.1379 11.547 9.50075 9.88103 -83.0131 TIMING: 1128200 CPU: 3390.87, 0.00301919/step Wall: 3390.87, 0.00301919/step, 3.24714 hours remaining, 206.628906 MB of memory in use. ENERGY: 1128200 731.4519 2088.3275 1923.2415 122.9307 -206487.5819 17834.9246 0.0000 0.0000 34110.6083 -149676.0974 297.8964 -183786.7057 -149581.3441 297.7001 -75.9898 -38.3473 557167.6987 -4.2117 -4.1757 LDB: ============= START OF LOAD BALANCING ============== 3394.4 LDB: ============== END OF LOAD BALANCING =============== 3394.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3394.4 LDB: ============= START OF LOAD BALANCING ============== 3394.7 LDB: Largest compute 4800 load 0.025543 is 21.7% of average load 0.117856 LDB: Average compute 0.001740 is 1.5% of average load 0.117856 LDB: TIME 3394.7 LOAD: AVG 0.117856 MAX 0.211791 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.141 MB LDB: TIME 3394.7 LOAD: AVG 0.117856 MAX 0.211791 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.238 MB LDB: TIME 3394.7 LOAD: AVG 0.117856 MAX 0.211791 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.238 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3394.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3394.71 PRESSURE: 1128400 294.405 -110.995 -115.859 -110.998 -47.3212 178.914 -115.86 178.915 153.837 GPRESSURE: 1128400 346.588 -104.04 -43.6111 -136.184 -31.6938 234.557 -119.909 168.488 178.62 PRESSAVG: 1128400 69.7777 40.2526 29.4876 40.2526 -67.7264 24.1776 29.4875 24.1775 54.9521 GPRESSAVG: 1128400 69.7964 38.0485 31.464 40.0222 -67.8032 24.1139 27.441 25.9499 55.0052 TIMING: 1128400 CPU: 3391.49, 0.00308849/step Wall: 3391.49, 0.00308849/step, 3.3215 hours remaining, 206.425781 MB of memory in use. ENERGY: 1128400 678.4290 2139.2458 1924.1239 126.3968 -206815.2670 18123.2243 0.0000 0.0000 34249.5654 -149574.2817 299.1100 -183823.8471 -149477.1293 298.1141 133.6402 164.5049 557722.2420 19.0011 18.9995 PRESSURE: 1128600 39.6778 174.425 88.8972 174.426 105.53 114.481 88.8982 114.48 -34.5329 GPRESSURE: 1128600 113.685 178.684 142.539 153.545 118.378 86.8806 59.9341 81.4187 -10.5996 PRESSAVG: 1128600 20.4806 -1.13777 -1.22478 -1.13775 2.45422 22.247 -1.22484 22.2469 -18.0281 GPRESSAVG: 1128600 20.8781 1.50893 -2.25022 -2.75959 1.88512 19.8785 -0.326073 22.097 -18.0546 TIMING: 1128600 CPU: 3392.09, 0.00300824/step Wall: 3392.09, 0.00300824/step, 3.23502 hours remaining, 206.425781 MB of memory in use. ENERGY: 1128600 786.8530 2031.3348 1926.2377 116.9816 -206642.6070 17924.5429 0.0000 0.0000 34413.5477 -149443.1092 300.5421 -183856.6569 -149346.0763 298.4318 36.8918 73.8211 557353.6125 1.6356 1.5695 PRESSURE: 1128800 -30.1764 263.584 58.0894 263.585 -156.302 15.0339 58.0902 15.0349 94.6228 GPRESSURE: 1128800 30.3464 235.214 59.6973 257.049 -145.8 28.9423 -4.46732 -54.1801 122.857 PRESSAVG: 1128800 21.2913 5.87163 19.1967 5.87165 25.0506 -7.97714 19.1966 -7.97713 -43.9459 GPRESSAVG: 1128800 20.5379 5.35249 20.3577 7.7211 26.3242 -5.93319 18.604 -9.2558 -44.9408 TIMING: 1128800 CPU: 3392.7, 0.00303083/step Wall: 3392.7, 0.00303083/step, 3.25915 hours remaining, 206.425781 MB of memory in use. ENERGY: 1128800 783.6215 2044.6703 1892.1098 100.2057 -206380.2716 17751.0220 0.0000 0.0000 34127.3813 -149681.2610 298.0429 -183808.6423 -149583.7775 298.7011 -30.6185 2.4679 555664.6471 0.7987 0.6404 PRESSURE: 1129000 37.4459 -94.8665 -40.0248 -94.8673 -43.1056 -47.1942 -40.0237 -47.1943 147.867 GPRESSURE: 1129000 58.1137 19.3907 10.893 -93.6555 3.2405 -67.1398 -45.0864 -80.0025 178.047 PRESSAVG: 1129000 24.2348 -31.3268 -62.8739 -31.3268 -33.905 -49.3546 -62.8738 -49.3544 21.5121 GPRESSAVG: 1129000 24.5091 -28.2067 -63.4833 -32.7719 -33.6861 -48.5708 -61.8557 -50.3441 21.2642 TIMING: 1129000 CPU: 3393.3, 0.00300802/step Wall: 3393.3, 0.00300802/step, 3.23446 hours remaining, 206.425781 MB of memory in use. ENERGY: 1129000 759.5239 2097.9161 1922.6142 116.2487 -206437.8457 17930.5896 0.0000 0.0000 34005.4875 -149605.4657 296.9784 -183610.9532 -149511.7949 298.1761 47.4024 79.8006 557572.5453 3.9473 4.0290 PRESSURE: 1129200 309.773 -178.41 -224.897 -178.412 22.4343 119.721 -224.897 119.721 129.241 GPRESSURE: 1129200 394.333 -207.271 -108.198 -128.739 90.6896 109.423 -186.927 46.3595 78.8139 PRESSAVG: 1129200 -3.28406 13.7575 -39.7097 13.7575 -46.0016 -25.1064 -39.7098 -25.1064 19.9575 GPRESSAVG: 1129200 -3.23984 11.3773 -40.7742 13.5989 -46.7628 -27.9386 -39.4921 -24.1302 21.3702 TIMING: 1129200 CPU: 3393.91, 0.00301883/step Wall: 3393.91, 0.00301883/step, 3.24592 hours remaining, 206.425781 MB of memory in use. ENERGY: 1129200 735.3002 2081.0606 1922.4481 106.7818 -206689.5717 18066.6816 0.0000 0.0000 34387.3298 -149389.9696 300.3131 -183777.2993 -149288.5696 298.8055 153.8163 187.9455 556284.8740 -9.7761 -9.5441 PRESSURE: 1129400 -2.05529 23.1658 202.64 23.1649 4.89308 83.3686 202.638 83.3699 -260.483 GPRESSURE: 1129400 54.1927 -15.2166 276.932 36.4621 55.9694 -73.9419 116.893 127.387 -270.45 PRESSAVG: 1129400 14.8883 -15.3223 -21.7197 -15.3223 62.057 41.0989 -21.7198 41.099 -22.2616 GPRESSAVG: 1129400 15.8168 -17.5762 -20.8318 -14.0989 61.7807 40.4782 -22.517 40.7837 -23.2167 TIMING: 1129400 CPU: 3394.51, 0.00303572/step Wall: 3394.51, 0.00303572/step, 3.2639 hours remaining, 206.425781 MB of memory in use. ENERGY: 1129400 744.4073 2133.5602 1931.8049 121.0011 -206121.6353 17731.4146 0.0000 0.0000 34209.1626 -149250.2845 298.7571 -183459.4471 -149154.2982 298.4741 -85.8819 -53.4293 557376.3645 18.2279 18.1270 PRESSURE: 1129600 20.1223 -54.9095 141.692 -54.9088 264.324 24.0258 141.691 24.0258 58.2809 GPRESSURE: 1129600 -10.3069 -24.0053 138.136 -55.7888 297.957 64.2088 111.014 14.9377 143.393 PRESSAVG: 1129600 -0.44019 -24.3233 54.3342 -24.3232 36.7839 22.4445 54.3343 22.4445 -49.6305 GPRESSAVG: 1129600 -0.881045 -21.9121 55.1264 -26.8533 36.738 22.5891 53.5663 22.4868 -49.5821 TIMING: 1129600 CPU: 3395.11, 0.00300038/step Wall: 3395.11, 0.00300038/step, 3.22574 hours remaining, 206.425781 MB of memory in use. ENERGY: 1129600 734.1115 2107.7379 1931.7274 112.6541 -206771.1320 18072.0345 0.0000 0.0000 34662.5662 -149150.3004 302.7168 -183812.8666 -149052.6144 299.8001 114.2422 143.6811 557384.4765 -4.4289 -4.5750 PRESSURE: 1129800 136.933 53.6272 -15.045 53.6274 25.3253 174.463 -15.0456 174.464 56.9986 GPRESSURE: 1129800 182.692 -15.949 50.4618 85.796 54.6752 199.802 -46.9592 141.442 78.8296 PRESSAVG: 1129800 20.9407 31.813 45.1632 31.8131 -31.4328 27.4387 45.1634 27.4386 20.6038 GPRESSAVG: 1129800 22.44 30.4651 42.8212 34.7884 -32.3215 29.1027 47.4565 27.0492 19.8123 TIMING: 1129800 CPU: 3395.72, 0.00301649/step Wall: 3395.72, 0.00301649/step, 3.24289 hours remaining, 206.425781 MB of memory in use. ENERGY: 1129800 742.3012 2092.9554 1909.2030 110.1039 -206367.4219 17856.1863 0.0000 0.0000 34272.7412 -149383.9309 299.3124 -183656.6721 -149283.3043 299.2366 73.0856 105.3989 556534.2356 3.3706 3.3103 PRESSURE: 1130000 -107.559 -11.6717 -122.299 -11.6717 -16.1581 -62.7635 -122.299 -62.7628 -47.1428 GPRESSURE: 1130000 -76.2938 35.3363 -202.089 -42.4559 -6.41129 -86.0276 -58.6903 -49.1862 0.1273 PRESSAVG: 1130000 1.05108 8.19111 10.1202 8.19108 -13.2176 37.0616 10.1201 37.0616 13.7954 GPRESSAVG: 1130000 0.78037 10.3889 9.31952 7.10541 -14.0153 37.0842 11.1891 35.5202 15.1674 TIMING: 1130000 CPU: 3396.32, 0.00304141/step Wall: 3396.32, 0.00304141/step, 3.26952 hours remaining, 206.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1130000 758.5763 2094.0151 1944.2541 116.9200 -206159.9797 17759.4609 0.0000 0.0000 34228.6017 -149258.1515 298.9269 -183486.7532 -149162.2170 298.9474 -56.9532 -27.5259 557671.9200 0.5430 0.6441 PRESSURE: 1130200 -189.8 -69.0721 -198.553 -69.072 -278.467 156.606 -198.553 156.605 -180.46 GPRESSURE: 1130200 -155.594 -49.3687 -151.256 -37.1342 -184.472 117.786 -224.338 191.372 -202.71 PRESSAVG: 1130200 81.1344 14.4282 -92.1959 14.4283 -36.8937 -26.211 -92.196 -26.211 16.2699 GPRESSAVG: 1130200 80.158 14.0038 -91.1694 15.4288 -35.6475 -28.6996 -92.3449 -24.1298 16.1435 TIMING: 1130200 CPU: 3396.93, 0.00305151/step Wall: 3396.93, 0.00305151/step, 3.2802 hours remaining, 206.425781 MB of memory in use. ENERGY: 1130200 816.6333 2026.6583 1920.2565 109.6212 -205815.7515 17579.7060 0.0000 0.0000 34120.9440 -149241.9321 297.9867 -183362.8761 -149148.5219 298.8731 -216.2424 -180.9249 559154.4552 20.1702 20.2180 PRESSURE: 1130400 -312.446 -58.5881 4.92347 -58.5882 125.327 -38.4226 4.92307 -38.4227 -314.62 GPRESSURE: 1130400 -270.618 -142.619 17.7239 -29.7394 145.187 -54.7075 63.2837 -35.483 -276.305 PRESSAVG: 1130400 8.66967 10.8167 -49.0319 10.8166 9.96246 8.43097 -49.032 8.43084 -79.7139 GPRESSAVG: 1130400 8.08355 9.57306 -47.8811 11.443 10.3724 9.3381 -50.209 7.63325 -79.5832 TIMING: 1130400 CPU: 3397.55, 0.00305248/step Wall: 3397.55, 0.00305248/step, 3.28108 hours remaining, 206.425781 MB of memory in use. ENERGY: 1130400 779.6461 2056.7702 1931.8828 115.1100 -205864.6100 17548.8165 0.0000 0.0000 34222.4458 -149209.9386 298.8731 -183432.3844 -149118.6864 299.4228 -167.2467 -133.9117 558572.0789 -20.3606 -20.3757 PRESSURE: 1130600 115.45 -22.0194 -28.1402 -22.0189 59.11 -16.778 -28.1397 -16.7781 199.916 GPRESSURE: 1130600 173.991 -23.2881 -104.484 -6.5717 86.8931 -48.5558 41.311 31.8293 201.241 PRESSAVG: 1130600 38.5756 11.0207 -47.1862 11.0208 35.7029 21.6498 -47.1861 21.6499 -63.1559 GPRESSAVG: 1130600 39.2308 10.9328 -48.8274 10.7117 35.9252 22.0004 -46.9913 20.531 -64.481 TIMING: 1130600 CPU: 3398.15, 0.00302639/step Wall: 3398.15, 0.00302639/step, 3.25287 hours remaining, 206.425781 MB of memory in use. ENERGY: 1130600 732.0871 2114.2612 1934.7750 116.0587 -206422.2869 18003.6109 0.0000 0.0000 34192.4567 -149329.0373 298.6112 -183521.4939 -149228.4986 299.2773 124.8256 154.0416 558493.9053 3.7075 3.5583 PRESSURE: 1130800 93.2748 -9.08717 -65.6243 -9.08789 -167.635 111.521 -65.6258 111.519 42.6651 GPRESSURE: 1130800 159.637 -10.6741 -17.1704 20.9024 -120.966 -10.1999 -11.9893 222.939 26.8746 PRESSAVG: 1130800 55.095 -14.9312 -40.7487 -14.9312 1.27425 -30.0122 -40.7486 -30.0123 -54.869 GPRESSAVG: 1130800 54.7419 -13.8636 -38.7774 -16.7513 1.6449 -31.0681 -41.6179 -28.0108 -54.5785 TIMING: 1130800 CPU: 3398.76, 0.00306113/step Wall: 3398.76, 0.00306113/step, 3.29004 hours remaining, 206.425781 MB of memory in use. ENERGY: 1130800 754.3526 2146.0347 1921.2257 109.0197 -206392.9604 17818.2708 0.0000 0.0000 34132.4329 -149511.6240 298.0870 -183644.0569 -149414.2397 299.0007 -10.5651 21.8485 558443.8886 0.5001 0.6028 PRESSURE: 1131000 317.4 -4.42938 -119.091 -4.43108 -96.3147 -20.7921 -119.09 -20.7911 53.624 GPRESSURE: 1131000 356.607 78.5646 -55.767 -29.8113 -52.6936 -13.982 -125.146 7.39946 69.5688 PRESSAVG: 1131000 27.1558 23.9503 -2.89792 23.9502 4.58988 -30.2992 -2.89791 -30.2992 -23.7002 GPRESSAVG: 1131000 27.9443 24.7875 -3.97509 26.7859 4.41482 -28.9494 -3.02676 -31.7385 -24.4103 TIMING: 1131000 CPU: 3399.38, 0.00306839/step Wall: 3399.38, 0.00306839/step, 3.29767 hours remaining, 206.425781 MB of memory in use. ENERGY: 1131000 735.2906 2086.4024 1932.2567 107.5445 -206690.6585 18086.7326 0.0000 0.0000 34131.2957 -149611.1361 298.0771 -183742.4318 -149518.7023 298.4079 91.5697 124.4940 557198.5130 2.6818 2.6496 PRESSURE: 1131200 57.5581 15.1178 -105.708 15.1185 -295.725 34.4975 -105.707 34.4982 -221.825 GPRESSURE: 1131200 56.2863 43.1329 -83.1079 25.405 -236.653 93.9157 -63.1334 -50.4422 -178.142 PRESSAVG: 1131200 63.0442 -50.2317 22.8273 -50.2317 -48.4606 20.1118 22.8273 20.1119 -32.7593 GPRESSAVG: 1131200 61.9968 -52.0318 22.8857 -51.9683 -48.7463 18.5776 24.0169 18.7166 -31.1953 TIMING: 1131200 CPU: 3399.99, 0.00307541/step Wall: 3399.99, 0.00307541/step, 3.30504 hours remaining, 206.425781 MB of memory in use. ENERGY: 1131200 761.4208 2083.5892 1938.3126 132.8552 -206232.9132 17596.8996 0.0000 0.0000 34013.8580 -149705.9777 297.0515 -183719.8357 -149607.2010 297.2731 -153.3307 -119.5028 557381.5810 -6.0586 -5.9816 PRESSURE: 1131400 -305.943 -26.3477 -64.9803 -26.3495 -311.451 111.547 -64.9791 111.546 -342.887 GPRESSURE: 1131400 -282.701 -13.889 -76.1112 -45.3098 -288.627 107.47 -51.3842 132.637 -298.81 PRESSAVG: 1131400 -48.233 -13.8349 -42.3341 -13.8349 25.8058 -13.2035 -42.3341 -13.2036 43.3646 GPRESSAVG: 1131400 -48.4353 -10.3762 -43.9811 -13.5769 24.96 -14.4808 -43.6372 -10.4719 44.4154 TIMING: 1131400 CPU: 3400.6, 0.00306312/step Wall: 3400.6, 0.00306312/step, 3.29166 hours remaining, 206.425781 MB of memory in use. ENERGY: 1131400 788.6362 2042.0577 1912.1476 101.0573 -206380.5957 17577.0679 0.0000 0.0000 34161.1261 -149798.5030 298.3376 -183959.6291 -149702.7603 297.9288 -320.0938 -290.0458 558645.5716 6.9791 6.9800 PRESSURE: 1131600 -283.603 29.5315 -11.1326 29.5327 -246.688 -53.1492 -11.1332 -53.1475 -217.698 GPRESSURE: 1131600 -273.335 -26.1677 -8.22112 65.4394 -203.191 39.1285 85.3018 -80.4394 -162.825 PRESSAVG: 1131600 -51.5305 -31.0407 -7.37595 -31.0407 54.8094 25.789 -7.37592 25.789 17.0565 GPRESSAVG: 1131600 -51.6139 -34.3693 -6.361 -29.781 55.6571 27.1881 -8.58016 26.141 16.8197 TIMING: 1131600 CPU: 3401.21, 0.00302214/step Wall: 3401.21, 0.00302214/step, 3.24745 hours remaining, 206.425781 MB of memory in use. ENERGY: 1131600 764.9330 2042.8373 1919.7240 118.4808 -206164.9858 17610.1470 0.0000 0.0000 34033.2027 -149675.6609 297.2204 -183708.8637 -149576.9190 298.0213 -249.3298 -213.1169 557981.2938 6.7785 6.9543 PRESSURE: 1131800 -50.3334 -37.3522 -124.522 -37.3525 -100.66 -26.1587 -124.522 -26.16 -137.564 GPRESSURE: 1131800 11.355 11.1736 -145.763 -134.319 -79.3209 -19.0871 -149.149 -21.6395 -122.739 PRESSAVG: 1131800 -1.13843 -20.6374 2.07195 -20.6374 0.999437 -4.30396 2.07192 -4.30393 3.8214 GPRESSAVG: 1131800 0.799443 -20.3092 0.893687 -21.3822 0.305453 -3.09392 3.3785 -5.67684 2.79294 TIMING: 1131800 CPU: 3401.82, 0.00305983/step Wall: 3401.82, 0.00305983/step, 3.28779 hours remaining, 206.425781 MB of memory in use. ENERGY: 1131800 733.4188 2062.4491 1937.0859 107.5108 -206160.7424 17658.0794 0.0000 0.0000 33962.8759 -149699.3225 296.6062 -183662.1984 -149604.4156 297.8247 -96.1860 -63.5685 555826.7393 1.2275 1.2993 PRESSURE: 1132000 -331.56 -169.565 -107.123 -169.564 -65.5777 -51.5229 -107.123 -51.5228 -441.492 GPRESSURE: 1132000 -285.811 -160.87 -86.5214 -116.318 -100.812 -83.8255 -112.753 -22.9227 -356.434 PRESSAVG: 1132000 -48.1491 -1.44571 -32.2084 -1.44571 39.737 -19.8505 -32.2084 -19.8507 -18.7495 GPRESSAVG: 1132000 -48.3129 0.705586 -30.3808 -1.44344 39.9734 -19.9763 -32.7138 -20.182 -18.3922 TIMING: 1132000 CPU: 3402.43, 0.00304656/step Wall: 3402.43, 0.00304656/step, 3.27336 hours remaining, 206.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1132000 778.8187 2060.1730 1941.3754 107.4018 -206468.6765 17731.1229 0.0000 0.0000 34132.9273 -149716.8573 298.0913 -183849.7846 -149613.7370 298.1600 -279.5431 -247.6857 557901.6364 -9.0538 -8.9105 PRESSURE: 1132200 -18.5592 -29.8132 -49.4777 -29.812 388.172 -99.3443 -49.4787 -99.3469 -183.496 GPRESSURE: 1132200 4.18175 -0.956692 -33.2879 -200.309 390.146 -68.4645 -25.0975 -70.0344 -98.1177 PRESSAVG: 1132200 1.06819 6.18645 10.2505 6.18649 86.6167 -46.9993 10.2506 -46.9992 -86.4366 GPRESSAVG: 1132200 0.486379 6.21862 9.79643 4.87914 87.2601 -47.7322 10.2628 -46.975 -86.3603 TIMING: 1132200 CPU: 3403.04, 0.00304518/step Wall: 3403.04, 0.00304518/step, 3.2717 hours remaining, 206.425781 MB of memory in use. ENERGY: 1132200 736.9573 2170.5246 1927.8403 117.9590 -206611.5848 17998.8715 0.0000 0.0000 34056.3630 -149603.0691 297.4227 -183659.4321 -149506.5337 297.4540 62.0389 98.7366 557243.0443 0.4161 0.4621 LDB: ============= START OF LOAD BALANCING ============== 3406.56 LDB: ============== END OF LOAD BALANCING =============== 3406.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3406.56 LDB: ============= START OF LOAD BALANCING ============== 3406.87 LDB: Largest compute 4800 load 0.024704 is 21.0% of average load 0.117916 LDB: Average compute 0.001738 is 1.5% of average load 0.117916 LDB: TIME 3406.87 LOAD: AVG 0.117916 MAX 0.213611 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.762 MB LDB: TIME 3406.87 LOAD: AVG 0.117916 MAX 0.213611 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.965 MB LDB: TIME 3406.87 LOAD: AVG 0.117916 MAX 0.213611 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.965 MB LDB: ============== END OF LOAD BALANCING =============== 3406.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3406.88 PRESSURE: 1132400 62.504 16.9896 -9.35006 16.9897 119.262 -94.9189 -9.35028 -94.9205 302.418 GPRESSURE: 1132400 154.381 37.8877 61.0444 -7.03593 145.041 -98.3129 -25.3984 -55.4981 279.017 PRESSAVG: 1132400 -69.9166 -15.5362 31.4625 -15.5361 24.9658 -2.16608 31.4624 -2.16627 31.2227 GPRESSAVG: 1132400 -69.959 -17.6071 30.5752 -13.5011 23.5286 -2.34046 30.5088 -2.55711 32.0561 TIMING: 1132400 CPU: 3403.66, 0.00310048/step Wall: 3403.66, 0.00310048/step, 3.33095 hours remaining, 209.308594 MB of memory in use. ENERGY: 1132400 737.0150 2129.3465 1921.0344 112.0768 -206600.2350 17988.8787 0.0000 0.0000 34034.7545 -149677.1291 297.2340 -183711.8837 -149581.8142 298.2793 161.3948 192.8131 555704.1573 -4.5760 -4.7914 PRESSURE: 1132600 56.4299 34.4897 -54.6927 34.4889 9.86514 55.6004 -54.6924 55.6009 151.208 GPRESSURE: 1132600 115.636 -43.0912 -105.525 24.6793 -41.2706 122.126 -91.141 42.2433 231.667 PRESSAVG: 1132600 -23.3922 48.1151 -27.6486 48.1151 8.0085 -12.4823 -27.6486 -12.4824 34.569 GPRESSAVG: 1132600 -23.9361 49.5179 -26.5864 45.6776 8.72684 -13.9249 -26.3897 -12.0631 34.912 TIMING: 1132600 CPU: 3404.27, 0.00304284/step Wall: 3404.27, 0.00304284/step, 3.26885 hours remaining, 209.378906 MB of memory in use. ENERGY: 1132600 742.3422 2074.3925 1893.6894 107.9143 -206226.8303 17812.9109 0.0000 0.0000 34357.9561 -149237.6248 300.0566 -183595.5810 -149139.9242 298.7836 72.5009 102.0108 557204.0329 6.3951 6.5676 PRESSURE: 1132800 -95.216 17.1009 -166.919 17.1006 -15.7134 -41.8066 -166.918 -41.8071 98.7194 GPRESSURE: 1132800 -24.8988 -5.62293 -166.171 84.1745 -32.56 -38.1309 -122.783 -38.0203 141.441 PRESSAVG: 1132800 -104.433 -1.68028 -40.0025 -1.68022 18.6079 -20.1316 -40.0025 -20.1317 65.2048 GPRESSAVG: 1132800 -103.81 -0.987554 -41.1052 -1.54501 17.4232 -19.8632 -39.9706 -19.6749 65.3344 TIMING: 1132800 CPU: 3404.87, 0.00303189/step Wall: 3404.87, 0.00303189/step, 3.25693 hours remaining, 209.378906 MB of memory in use. ENERGY: 1132800 791.1906 2119.6808 1939.2273 102.5905 -206476.5382 17973.4968 0.0000 0.0000 34302.2096 -149248.1427 299.5697 -183550.3522 -149154.5789 299.5996 -4.0700 27.9941 556735.5917 -6.8735 -7.0175 PRESSURE: 1133000 -197.796 -69.7242 -137.774 -69.7252 143.536 -122.853 -137.776 -122.853 -119.557 GPRESSURE: 1133000 -159.751 -134.053 -73.7849 -63.2405 116.889 -191.643 -174.519 -56.926 -22.4818 PRESSAVG: 1133000 -12.6503 41.8705 -40.4675 41.8705 46.7332 -9.3539 -40.4675 -9.3539 -39.9272 GPRESSAVG: 1133000 -11.9877 40.2237 -41.1987 42.3121 47.3277 -10.3079 -38.8334 -10.1634 -40.9422 TIMING: 1133000 CPU: 3405.48, 0.00302585/step Wall: 3405.48, 0.00302585/step, 3.25027 hours remaining, 209.378906 MB of memory in use. ENERGY: 1133000 764.6406 2080.7126 1937.7768 107.5400 -206157.4280 17774.0282 0.0000 0.0000 34186.5861 -149306.1438 298.5600 -183492.7298 -149211.3765 299.2158 -57.9392 -21.7812 556298.6391 -1.9481 -1.8674 PRESSURE: 1133200 1.61305 111.529 -160.051 111.529 -137.642 -177.886 -160.051 -177.886 126.834 GPRESSURE: 1133200 16.0853 71.4051 -188.554 51.3578 -94.0663 -98.3596 -128.227 -265.816 153.828 PRESSAVG: 1133200 10.5836 53.6541 -33.2431 53.6542 -16.3975 -37.6002 -33.2432 -37.6002 41.6077 GPRESSAVG: 1133200 11.4915 53.7858 -32.3651 54.8612 -16.4544 -35.5536 -34.073 -35.7475 40.3634 TIMING: 1133200 CPU: 3406.09, 0.00304823/step Wall: 3406.09, 0.00304823/step, 3.27414 hours remaining, 209.378906 MB of memory in use. ENERGY: 1133200 729.3467 2080.3767 1952.0443 112.8960 -205986.2959 17820.4215 0.0000 0.0000 34037.8776 -149253.3332 297.2613 -183291.2108 -149164.2197 298.8493 -3.0650 25.2823 556930.3326 11.9313 11.8002 PRESSURE: 1133400 -62.4645 109.105 138.347 109.105 -170.509 -85.2848 138.346 -85.2853 -32.0799 GPRESSURE: 1133400 -9.16352 92.3158 149.427 98.5335 -122.942 -176.811 140.203 -121.286 -47.8211 PRESSAVG: 1133400 -20.8136 26.5284 -45.3238 26.5283 43.0748 -67.238 -45.3239 -67.2379 1.46858 GPRESSAVG: 1133400 -22.5247 24.3379 -45.0344 27.9442 43.7204 -67.3542 -46.8878 -67.3328 1.96424 TIMING: 1133400 CPU: 3406.7, 0.00304676/step Wall: 3406.7, 0.00304676/step, 3.27239 hours remaining, 209.378906 MB of memory in use. ENERGY: 1133400 741.1150 2117.2286 1903.1117 122.9733 -206091.1062 17637.7656 0.0000 0.0000 34379.7773 -149189.1347 300.2471 -183568.9120 -149089.3495 299.4420 -88.3512 -59.9755 557887.5436 7.9099 7.7200 PRESSURE: 1133600 -220.815 -129.956 -82.4591 -129.957 176.708 161.176 -82.4595 161.179 286.375 GPRESSURE: 1133600 -162.763 -104.201 -17.8373 -133.31 200.465 178.307 -91.2767 156.573 299.908 PRESSAVG: 1133600 -27.9647 50.8824 -5.69699 50.8824 -37.6502 -40.4395 -5.69703 -40.4395 60.6256 GPRESSAVG: 1133600 -27.0264 52.044 -3.81537 48.7017 -39.72 -39.951 -7.373 -42.0195 61.2651 TIMING: 1133600 CPU: 3407.31, 0.00308224/step Wall: 3407.31, 0.00308224/step, 3.31032 hours remaining, 209.378906 MB of memory in use. ENERGY: 1133600 699.3413 2109.3558 1939.6872 105.7160 -206070.8070 17874.6689 0.0000 0.0000 34157.3473 -149184.6904 298.3046 -183342.0377 -149094.1418 299.1780 80.7562 112.5368 556515.8476 -1.6631 -1.8271 PRESSURE: 1133800 161.489 -76.3414 -62.1819 -76.342 85.4526 57.0589 -62.1809 57.058 -14.6435 GPRESSURE: 1133800 171.807 -25.8901 -9.25742 -97.2328 160.707 41.6796 -62.5687 32.1179 -0.598778 PRESSAVG: 1133800 -36.0545 -3.39478 14.0004 -3.39486 1.81924 13.3793 14.0004 13.3793 45.1647 GPRESSAVG: 1133800 -36.8876 -2.76592 10.3306 -4.27477 3.53476 14.2158 17.9861 12.3809 44.5208 TIMING: 1133800 CPU: 3407.93, 0.00306816/step Wall: 3407.93, 0.00306816/step, 3.29503 hours remaining, 209.378906 MB of memory in use. ENERGY: 1133800 729.8522 2114.0134 1917.9098 115.7907 -206564.6723 17972.9465 0.0000 0.0000 34425.0992 -149289.0604 300.6430 -183714.1597 -149195.6201 299.3316 77.4326 110.6384 556340.5549 3.6431 3.7227 PRESSURE: 1134000 36.7848 -64.8572 -137.514 -64.8572 31.2064 37.3801 -137.515 37.3812 10.2405 GPRESSURE: 1134000 94.2316 15.6159 -174.203 -77.0294 60.5136 -30.23 -100.435 112.088 1.81948 PRESSAVG: 1134000 -19.2437 -41.3439 19.2266 -41.3439 -6.60332 -22.8632 19.2266 -22.8632 -13.8649 GPRESSAVG: 1134000 -18.0558 -40.105 20.3523 -40.4599 -7.33354 -24.3451 16.8527 -23.0304 -14.4491 TIMING: 1134000 CPU: 3408.53, 0.00301389/step Wall: 3408.53, 0.00301389/step, 3.23658 hours remaining, 209.378906 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: 1134000 729.7266 2102.2978 1919.2158 112.3542 -206382.5431 17937.2603 0.0000 0.0000 34222.4692 -149359.2191 298.8733 -183581.6884 -149260.5956 298.9574 26.0772 52.1882 558437.1474 -13.2373 -13.2795 PRESSURE: 1134200 45.6286 76.7724 -21.9385 76.7733 238.81 135.893 -21.9385 135.895 92.7917 GPRESSURE: 1134200 84.477 23.2642 -5.4271 77.7679 262.147 79.5539 22.7145 159.426 114.503 PRESSAVG: 1134200 14.0523 67.7188 11.0668 67.7188 14.7273 -28.6657 11.0668 -28.6655 -57.6766 GPRESSAVG: 1134200 12.7476 65.517 13.6444 67.196 14.0729 -28.8227 12.229 -26.4583 -56.1126 TIMING: 1134200 CPU: 3409.14, 0.0030341/step Wall: 3409.14, 0.0030341/step, 3.25812 hours remaining, 209.378906 MB of memory in use. ENERGY: 1134200 705.0116 2090.6143 1915.5889 107.4508 -206458.8536 18175.1969 0.0000 0.0000 34080.2355 -149384.7557 297.6312 -183464.9912 -149285.1488 297.8450 125.7434 153.7090 559089.4018 -9.6323 -9.7641 PRESSURE: 1134400 111.564 166.936 -112.421 166.936 32.2652 -66.1518 -112.42 -66.1542 -160.076 GPRESSURE: 1134400 139.808 115.294 -129.544 61.4297 64.8145 -51.3244 -96.734 -47.5767 -122.039 PRESSAVG: 1134400 14.1741 5.93688 -8.76555 5.9368 -1.99973 8.90384 -8.76551 8.90384 23.0588 GPRESSAVG: 1134400 16.2904 7.50618 -12.2529 4.80023 -2.2983 10.0995 -7.5254 8.32989 21.0471 TIMING: 1134400 CPU: 3409.75, 0.00304865/step Wall: 3409.75, 0.00304865/step, 3.27357 hours remaining, 209.378906 MB of memory in use. ENERGY: 1134400 735.7744 2143.4986 1966.0158 111.6036 -206650.7487 17985.6145 0.0000 0.0000 34260.2741 -149447.9678 299.2035 -183708.2419 -149355.2489 298.0866 -5.4156 27.5278 557282.0757 11.7444 11.6797 PRESSURE: 1134600 -53.8749 12.4679 120.32 12.4669 -132.448 -84.5139 120.32 -84.5124 -56.7534 GPRESSURE: 1134600 -60.3937 -55.8194 147.544 31.0398 -118.301 -125.217 26.9587 18.4145 31.6534 PRESSAVG: 1134600 32.3668 -5.42691 -1.7377 -5.42705 -61.3111 10.4108 -1.73779 10.4108 45.4225 GPRESSAVG: 1134600 30.5883 -7.47918 -0.519976 -1.7602 -60.6208 9.69901 -4.54033 9.9387 45.9138 TIMING: 1134600 CPU: 3410.36, 0.00306343/step Wall: 3410.36, 0.00306343/step, 3.28927 hours remaining, 209.378906 MB of memory in use. ENERGY: 1134600 731.8073 2073.7501 1931.7407 116.0833 -206729.8692 17935.3832 0.0000 0.0000 34207.0318 -149734.0729 298.7385 -183941.1047 -149639.5197 298.4300 -81.0255 -49.0136 557044.0923 5.4927 5.2938 PRESSURE: 1134800 33.8835 48.5005 -33.0968 48.4994 -205.343 94.5386 -33.0958 94.5374 78.6121 GPRESSURE: 1134800 80.3808 47.6485 -109.862 -7.86786 -173.961 121.149 105.433 121.086 91.953 PRESSAVG: 1134800 -5.7752 23.3598 10.9079 23.3599 -119.927 41.1133 10.9079 41.1133 107.091 GPRESSAVG: 1134800 -6.41052 23.549 10.0486 21.5035 -119.166 43.3158 10.8428 41.2595 107.176 TIMING: 1134800 CPU: 3410.97, 0.00302533/step Wall: 3410.97, 0.00302533/step, 3.24819 hours remaining, 209.378906 MB of memory in use. ENERGY: 1134800 741.1980 2029.5954 1910.7342 100.5704 -206622.0080 17980.1605 0.0000 0.0000 34138.9809 -149720.7685 298.1442 -183859.7494 -149626.6958 297.8629 -30.9493 -0.5425 557408.4855 -6.2037 -6.1337 PRESSURE: 1135000 -304.455 -181.485 -131.999 -181.484 206.895 239.809 -131.999 239.808 -299.309 GPRESSURE: 1135000 -303.746 -186.722 -109.272 -163.773 245.682 266.47 -121.886 249.327 -256.692 PRESSAVG: 1135000 4.60683 15.0384 -29.8703 15.0383 -16.8421 -45.1185 -29.8703 -45.1185 12.6336 GPRESSAVG: 1135000 4.37943 15.5628 -28.2082 14.6985 -17.8507 -45.2972 -29.2414 -45.1764 13.5925 TIMING: 1135000 CPU: 3411.57, 0.00303544/step Wall: 3411.57, 0.00303544/step, 3.25889 hours remaining, 209.378906 MB of memory in use. ENERGY: 1135000 740.6278 2134.4695 1891.6084 111.7823 -206003.2973 17739.1563 0.0000 0.0000 33729.2372 -149656.4157 294.5658 -183385.6529 -149569.3616 297.6213 -132.2898 -104.9187 559241.3205 0.1328 0.0404 PRESSURE: 1135200 9.63212 17.8838 -32.1692 17.8844 59.6675 67.914 -32.1696 67.913 -152.014 GPRESSURE: 1135200 29.204 -8.4784 -108.233 66.4545 53.9911 81.438 20.21 27.3878 -68.306 PRESSAVG: 1135200 -0.921661 61.4348 -33.9762 61.4348 -1.48452 29.4229 -33.9763 29.423 8.93162 GPRESSAVG: 1135200 -0.135026 61.9981 -36.0636 62.5355 -0.54218 28.3388 -32.9304 29.9069 7.6052 TIMING: 1135200 CPU: 3412.18, 0.00302497/step Wall: 3412.18, 0.00302497/step, 3.24748 hours remaining, 209.378906 MB of memory in use. ENERGY: 1135200 709.7888 2072.9190 1950.7681 109.7285 -206697.3945 17939.2851 0.0000 0.0000 34173.8348 -149741.0701 298.4486 -183914.9050 -149651.3533 297.7521 -27.5715 4.9631 557695.5386 2.1751 2.3093 PRESSURE: 1135400 -29.2459 63.3002 77.6406 63.2999 -395.961 -10.6229 77.6397 -10.6216 -121.812 GPRESSURE: 1135400 -4.67033 37.1569 145.21 61.828 -331.209 5.53473 22.7099 -7.77007 -116.581 PRESSAVG: 1135400 -84.9771 39.8653 14.5371 39.8652 104.716 28.3128 14.5371 28.313 -20.8546 GPRESSAVG: 1135400 -85.4535 38.8838 16.417 39.6426 103.991 29.1129 13.2447 26.7953 -19.3568 TIMING: 1135400 CPU: 3412.78, 0.00301005/step Wall: 3412.78, 0.00301005/step, 3.23129 hours remaining, 209.378906 MB of memory in use. ENERGY: 1135400 770.1111 2097.3213 1939.1413 106.0314 -206535.1145 17775.2496 0.0000 0.0000 34236.5107 -149610.7491 298.9960 -183847.2598 -149516.2214 298.0379 -182.3396 -150.8202 559506.4833 -0.3718 -0.2732 PRESSURE: 1135600 -43.3178 -98.7572 -83.4208 -98.7584 37.3143 93.1846 -83.4206 93.185 109.347 GPRESSURE: 1135600 -6.16181 -44.2767 -68.6705 -146.148 55.6454 27.9731 -150.379 181.473 148.192 PRESSAVG: 1135600 -65.3389 -13.4439 -35.4561 -13.4439 11.9139 38.4549 -35.4561 38.4548 54.6331 GPRESSAVG: 1135600 -63.4225 -14.0033 -35.4688 -14.1556 12.0931 38.8092 -36.5257 38.8983 52.8822 TIMING: 1135600 CPU: 3413.39, 0.00304004/step Wall: 3413.39, 0.00304004/step, 3.26331 hours remaining, 209.378906 MB of memory in use. ENERGY: 1135600 775.4450 2003.2271 1920.3638 109.0121 -206620.8991 17994.3204 0.0000 0.0000 34221.5792 -149596.9513 298.8656 -183818.5306 -149501.6985 298.4429 34.4477 65.8919 558113.8666 0.4027 0.5176 PRESSURE: 1135800 109.906 -9.75333 -95.3722 -9.75321 110.929 136.387 -95.3732 136.386 101.517 GPRESSURE: 1135800 105.735 -7.60219 -157.512 -40.4626 143.876 97.8239 -67.2102 154.295 168.425 PRESSAVG: 1135800 1.78684 12.672 -50.8343 12.672 3.14282 53.6564 -50.8343 53.6565 -32.5649 GPRESSAVG: 1135800 0.949342 13.2852 -52.6758 13.6509 2.34105 52.8433 -48.5395 53.0694 -31.3888 TIMING: 1135800 CPU: 3414, 0.00307716/step Wall: 3414, 0.00307716/step, 3.30299 hours remaining, 209.378906 MB of memory in use. ENERGY: 1135800 721.5647 2092.8545 1934.1301 112.7821 -206413.5674 17905.0771 0.0000 0.0000 33913.0277 -149734.1312 296.1709 -183647.1589 -149643.2820 297.9722 107.4506 139.3453 557326.2405 -9.2117 -9.3661 PRESSURE: 1136000 -82.2614 -38.4679 80.9952 -38.4668 -6.83503 -9.48103 80.9949 -9.48089 -81.9376 GPRESSURE: 1136000 -94.4108 -60.9353 108.153 -21.167 73.8712 -20.354 135.844 -14.895 -51.4095 PRESSAVG: 1136000 61.1882 31.9786 -27.3895 31.9785 -68.5992 16.5909 -27.3895 16.5909 31.5647 GPRESSAVG: 1136000 60.3108 31.1963 -26.0578 31.3472 -66.7632 17.0721 -27.2426 16.969 30.2967 TIMING: 1136000 CPU: 3414.61, 0.00304854/step Wall: 3414.61, 0.00304854/step, 3.2721 hours remaining, 209.378906 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: 1136000 726.9477 2081.0739 1925.7062 104.8622 -206564.0410 17817.1929 0.0000 0.0000 34297.5312 -149610.7269 299.5289 -183908.2580 -149510.8885 298.4684 -57.0113 -23.9830 556502.3707 8.0512 7.9481 PRESSURE: 1136200 -58.8298 31.9047 86.0633 31.9055 -106.014 85.5831 86.0625 85.5834 229.323 GPRESSURE: 1136200 -51.0555 82.759 59.7885 41.658 -63.5293 55.6804 124.438 130.782 269.366 PRESSAVG: 1136200 -4.3251 27.1023 -7.35116 27.1024 -50.106 -7.96653 -7.35109 -7.96644 33.9564 GPRESSAVG: 1136200 -4.48901 28.7773 -7.82894 25.4279 -51.1024 -6.66783 -8.64158 -8.99884 35.3222 TIMING: 1136200 CPU: 3415.22, 0.00303556/step Wall: 3415.22, 0.00303556/step, 3.258 hours remaining, 209.378906 MB of memory in use. ENERGY: 1136200 719.4437 2026.5057 1939.9866 114.2777 -206691.0494 18030.6598 0.0000 0.0000 34385.0212 -149475.1549 300.2929 -183860.1761 -149386.8518 298.2353 21.4930 51.5939 558624.9085 -6.8249 -6.7564 LDB: ============= START OF LOAD BALANCING ============== 3418.74 LDB: ============== END OF LOAD BALANCING =============== 3418.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3418.75 LDB: ============= START OF LOAD BALANCING ============== 3419.05 LDB: Largest compute 4822 load 0.025391 is 21.5% of average load 0.117891 LDB: Average compute 0.001740 is 1.5% of average load 0.117891 LDB: TIME 3419.05 LOAD: AVG 0.117891 MAX 0.216073 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.027 MB LDB: TIME 3419.06 LOAD: AVG 0.117891 MAX 0.216073 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.027 MB LDB: TIME 3419.06 LOAD: AVG 0.117891 MAX 0.216073 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.027 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3419.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3419.06 PRESSURE: 1136400 38.5738 49.9238 43.1067 49.9241 56.0404 -185.53 43.1068 -185.53 50.4405 GPRESSURE: 1136400 84.3149 60.1398 -19.1286 5.01476 85.1175 -237.47 116.51 -132.106 80.8392 PRESSAVG: 1136400 58.3843 -4.86064 -7.67108 -4.86076 -43.4304 -41.0153 -7.67114 -41.0153 -1.3842 GPRESSAVG: 1136400 57.9076 -5.82429 -5.99963 -4.56989 -43.5901 -42.3296 -7.55005 -39.4054 -0.908733 TIMING: 1136400 CPU: 3415.85, 0.00312704/step Wall: 3415.85, 0.00312704/step, 3.35601 hours remaining, 209.316406 MB of memory in use. ENERGY: 1136400 754.6368 2108.8100 1916.6826 121.5931 -206636.7448 17897.3317 0.0000 0.0000 34386.5443 -149451.1464 300.3062 -183837.6906 -149346.0630 298.6534 48.3516 83.4239 556909.0352 4.5233 4.4696 PRESSURE: 1136600 404.724 -3.52632 -0.880326 -3.52511 -141.974 97.9505 -0.879902 97.9523 155.191 GPRESSURE: 1136600 410.62 37.3171 -12.6237 -12.6112 -83.1956 78.8261 25.1718 98.5131 198.282 PRESSAVG: 1136600 22.2916 70.5342 38.3411 70.5343 -30.7803 -31.0481 38.3411 -31.048 -17.2276 GPRESSAVG: 1136600 24.3126 71.0785 35.974 71.3478 -31.6864 -31.9294 40.1642 -31.3176 -18.145 TIMING: 1136600 CPU: 3416.45, 0.00303485/step Wall: 3416.45, 0.00303485/step, 3.2569 hours remaining, 209.386719 MB of memory in use. ENERGY: 1136600 724.7889 2102.4412 1918.3960 117.1724 -206812.5526 18193.9439 0.0000 0.0000 34354.3606 -149401.4495 300.0252 -183755.8101 -149305.8202 299.0441 139.3136 175.2354 556961.5535 -8.5721 -8.5063 PRESSURE: 1136800 -78.291 -131.939 26.5584 -131.939 -96.5312 -182.792 26.5581 -182.793 -8.70087 GPRESSURE: 1136800 -73.3843 -166.882 87.7633 -100.562 -8.20164 -170.017 -26.2817 -177.325 -5.55239 PRESSAVG: 1136800 -6.75571 38.9759 7.19961 38.9759 11.9437 -55.1247 7.19959 -55.1246 -3.48207 GPRESSAVG: 1136800 -8.17966 39.2722 10.6419 39.808 12.8766 -53.4216 4.45354 -55.7867 -3.58603 TIMING: 1136800 CPU: 3417.05, 0.00300658/step Wall: 3417.05, 0.00300658/step, 3.22639 hours remaining, 209.386719 MB of memory in use. ENERGY: 1136800 780.9630 2081.2517 1920.7172 105.4420 -206118.4259 17672.1475 0.0000 0.0000 34074.1455 -149483.7590 297.5780 -183557.9045 -149391.7585 298.1221 -61.1744 -29.0461 557686.3034 0.5686 0.3703 PRESSURE: 1137000 264.307 -37.245 140.688 -37.244 -126.204 -148.494 140.689 -148.494 377.699 GPRESSURE: 1137000 243.195 1.88764 164.402 -106.637 -77.2117 -122.785 102.519 -111.52 460.154 PRESSAVG: 1137000 -29.3686 17.1051 -3.67706 17.1053 -67.4681 -22.4686 -3.67712 -22.4687 90.7592 GPRESSAVG: 1137000 -29.9674 15.3119 -3.96769 16.8049 -66.3589 -22.2467 -2.49716 -24.0986 90.1176 TIMING: 1137000 CPU: 3417.66, 0.00302236/step Wall: 3417.66, 0.00302236/step, 3.24316 hours remaining, 209.386719 MB of memory in use. ENERGY: 1137000 743.3021 2131.8167 1895.7719 109.7573 -206902.6811 18211.8907 0.0000 0.0000 34356.7302 -149453.4122 300.0459 -183810.1425 -149366.1369 299.0374 171.9338 208.7124 557047.3097 -2.0259 -2.0696 PRESSURE: 1137200 -125.78 227.332 32.1709 227.332 -221.737 21.1982 32.17 21.1982 -107.907 GPRESSURE: 1137200 -77.447 195.183 110.692 210.265 -140.548 6.75698 -71.1491 81.953 -137.721 PRESSAVG: 1137200 14.2385 15.7916 25.0399 15.7915 -58.0391 -39.4416 25.0399 -39.4415 85.9904 GPRESSAVG: 1137200 15.8435 16.1609 24.6819 15.838 -59.8561 -41.106 24.0986 -37.7642 85.5374 TIMING: 1137200 CPU: 3418.26, 0.00301053/step Wall: 3418.26, 0.00301053/step, 3.2303 hours remaining, 209.386719 MB of memory in use. ENERGY: 1137200 777.5263 2046.3714 1932.6142 110.4146 -206014.5257 17597.0332 0.0000 0.0000 34114.0772 -149436.4888 297.9267 -183550.5660 -149330.9050 298.7913 -151.8078 -118.5721 557580.4073 14.0633 13.8416 PRESSURE: 1137400 -272.886 58.0648 23.7378 58.0631 -251.788 121.269 23.7378 121.268 231.761 GPRESSURE: 1137400 -260.206 121.599 -29.4547 73.1881 -235.993 221.151 64.4526 81.4073 284.103 PRESSAVG: 1137400 -26.4755 44.3239 -54.955 44.3238 -53.9899 -54.5585 -54.955 -54.5586 49.1373 GPRESSAVG: 1137400 -27.9082 44.93 -54.8199 42.5642 -53.7108 -53.4712 -54.1479 -56.0591 50.6083 TIMING: 1137400 CPU: 3418.86, 0.00302199/step Wall: 3418.86, 0.00302199/step, 3.24242 hours remaining, 209.386719 MB of memory in use. ENERGY: 1137400 755.4014 2004.0469 1921.9548 117.3751 -206087.0517 17748.9951 0.0000 0.0000 34193.2610 -149346.0174 298.6183 -183539.2783 -149249.1817 298.6181 -97.6374 -70.6987 558990.3552 -10.4427 -10.3369 PRESSURE: 1137600 -14.6453 -104.439 37.8604 -104.44 -75.1871 136.497 37.8606 136.499 -92.9037 GPRESSURE: 1137600 82.0587 -147.852 13.5415 -78.9883 -56.4464 152.564 44.4122 196.481 -98.6263 PRESSAVG: 1137600 2.12324 14.1951 -1.14439 14.1952 -49.1044 28.3179 -1.14435 28.3179 31.9482 GPRESSAVG: 1137600 2.71257 13.0937 -2.16095 15.1602 -49.037 29.5768 -0.0747278 29.4492 31.6623 TIMING: 1137600 CPU: 3419.46, 0.00300138/step Wall: 3419.46, 0.00300138/step, 3.22015 hours remaining, 209.386719 MB of memory in use. ENERGY: 1137600 708.5295 2090.6094 1922.3443 114.6596 -206294.9417 17772.5169 0.0000 0.0000 34354.8313 -149331.4508 300.0293 -183686.2821 -149235.3701 299.2822 -60.9120 -24.3380 557925.6009 -5.0110 -4.8874 PRESSURE: 1137800 -21.9652 221.502 123.067 221.503 -57.0763 -121.87 123.066 -121.87 -0.636263 GPRESSURE: 1137800 29.0361 124.746 58.9046 193.458 -34.7014 -104.321 130.441 -71.5881 29.4385 PRESSAVG: 1137800 14.748 26.1919 29.8604 26.1919 -37.0923 26.8575 29.8604 26.8576 11.9699 GPRESSAVG: 1137800 14.7165 27.2469 29.8065 26.3648 -37.2704 25.2748 27.2361 25.4121 12.6366 TIMING: 1137800 CPU: 3420.07, 0.00305033/step Wall: 3420.07, 0.00305033/step, 3.2725 hours remaining, 209.386719 MB of memory in use. ENERGY: 1137800 722.0642 2090.1862 1945.1463 125.1089 -206075.0320 17707.6225 0.0000 0.0000 34259.2146 -149225.6892 299.1942 -183484.9039 -149130.0435 299.3176 -26.5592 7.9244 559234.8519 -3.4581 -3.3058 PRESSURE: 1138000 -51.4723 -42.8023 91.4422 -42.8037 -224.721 39.5996 91.4424 39.5974 -167.028 GPRESSURE: 1138000 -37.6461 -42.109 -20.5113 -110.088 -163.136 96.3968 144.483 39.3725 -136.035 PRESSAVG: 1138000 53.7503 19.6668 52.9564 19.6668 -33.0816 -14.5477 52.9565 -14.5477 26.8322 GPRESSAVG: 1138000 53.9427 21.7067 52.1961 18.5859 -32.9358 -12.5681 54.74 -13.842 26.83 TIMING: 1138000 CPU: 3420.69, 0.00305481/step Wall: 3420.69, 0.00305481/step, 3.27713 hours remaining, 209.386719 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: 1138000 747.0641 2044.0428 1949.1195 130.1191 -206221.5190 17682.7131 0.0000 0.0000 34417.8369 -149250.6236 300.5795 -183668.4605 -149151.9747 299.4360 -147.7407 -112.2721 557824.6678 15.8336 15.9457 PRESSURE: 1138200 0.24666 68.1413 328.939 68.1423 -77.064 107.463 328.941 107.462 -383.389 GPRESSURE: 1138200 43.854 59.305 334.447 97.04 -88.3883 169.031 267.053 69.6467 -312.572 PRESSAVG: 1138200 -12.3847 31.8065 45.3664 31.8064 -31.7124 33.7818 45.3665 33.7818 2.43409 GPRESSAVG: 1138200 -10.9469 29.8936 44.818 33.5061 -32.048 33.2152 45.2015 34.5374 1.4308 TIMING: 1138200 CPU: 3421.29, 0.00303563/step Wall: 3421.29, 0.00303563/step, 3.25639 hours remaining, 209.386719 MB of memory in use. ENERGY: 1138200 781.7853 2081.2921 1886.4897 113.0517 -205858.4716 17706.9640 0.0000 0.0000 34141.8686 -149147.0202 298.1694 -183288.8888 -149054.9922 299.5224 -153.4021 -119.0355 558770.1420 -13.8877 -13.8547 PRESSURE: 1138400 -72.7649 106.888 -32.3324 106.887 -139.876 -15.4694 -32.3339 -15.4697 -19.7521 GPRESSURE: 1138400 -13.94 143.202 -62.9437 108.911 -143.444 102.241 -8.29274 -100.184 23.3313 PRESSAVG: 1138400 25.4319 -37.8832 -24.8767 -37.8831 -30.1088 36.0168 -24.8767 36.0166 24.3123 GPRESSAVG: 1138400 24.8091 -36.5447 -24.0791 -39.2709 -29.8888 34.9075 -25.0408 36.2353 25.3793 TIMING: 1138400 CPU: 3421.89, 0.00300778/step Wall: 3421.89, 0.00300778/step, 3.22634 hours remaining, 209.386719 MB of memory in use. ENERGY: 1138400 762.3221 2129.4849 1952.4992 128.7374 -206433.2547 17803.9221 0.0000 0.0000 34396.7382 -149259.5509 300.3953 -183656.2890 -149162.3860 299.5716 -77.4642 -44.6843 557537.5754 6.5451 6.7665 PRESSURE: 1138600 -26.7853 41.6966 -98.9435 41.6967 -88.4212 122.574 -98.9433 122.573 -18.1795 GPRESSURE: 1138600 22.2104 80.7565 -15.2644 112.234 -60.8836 132.106 -78.3891 96.5346 3.70794 PRESSAVG: 1138600 78.1775 23.5803 -13.1151 23.5803 -65.4126 19.643 -13.1151 19.6431 33.5383 GPRESSAVG: 1138600 77.9151 23.2951 -12.8459 24.4727 -64.8789 20.8599 -13.9271 19.998 33.6517 TIMING: 1138600 CPU: 3422.5, 0.00304444/step Wall: 3422.5, 0.00304444/step, 3.2655 hours remaining, 209.386719 MB of memory in use. ENERGY: 1138600 748.2614 2108.3489 1949.5094 109.4660 -206097.3293 17733.3608 0.0000 0.0000 34406.8607 -149041.5221 300.4837 -183448.3828 -148942.7169 299.9955 -44.4620 -11.6551 557804.7173 15.4344 15.5626 PRESSURE: 1138800 -238.972 7.19715 -62.0928 7.19768 -76.5254 -49.5284 -62.0924 -49.5301 114.219 GPRESSURE: 1138800 -172.432 -93.0865 -57.5817 34.2507 -27.225 -119.691 16.9698 -2.50332 103.279 PRESSAVG: 1138800 -9.02294 35.8491 -35.9065 35.849 -46.5324 -41.3798 -35.9065 -41.3798 22.1387 GPRESSAVG: 1138800 -9.2805 33.942 -36.4235 35.4057 -47.2112 -40.3571 -34.174 -42.8697 22.8886 TIMING: 1138800 CPU: 3423.11, 0.00305113/step Wall: 3423.11, 0.00305113/step, 3.27251 hours remaining, 209.386719 MB of memory in use. ENERGY: 1138800 752.7374 2058.5859 1956.7283 108.8698 -205988.7730 17659.1059 0.0000 0.0000 34328.3340 -149124.4117 299.7979 -183452.7457 -149026.9981 299.7682 -67.0929 -32.1260 557371.5041 -11.1389 -11.2011 PRESSURE: 1139000 -54.7286 25.1422 32.1842 25.1426 166.468 6.66746 32.1839 6.66914 197.721 GPRESSURE: 1139000 -19.0539 92.7257 10.3177 -83.0053 172.291 13.1212 66.8049 22.1659 253.852 PRESSAVG: 1139000 -64.6253 -25.9045 -25.6316 -25.9045 -19.0205 -18.3934 -25.6317 -18.3934 53.5891 GPRESSAVG: 1139000 -63.6996 -23.6688 -24.8173 -26.0821 -20.4626 -21.3476 -27.1929 -18.424 53.634 TIMING: 1139000 CPU: 3423.72, 0.00301109/step Wall: 3423.72, 0.00301109/step, 3.2294 hours remaining, 209.386719 MB of memory in use. ENERGY: 1139000 741.2306 2090.6159 1950.2414 117.0399 -206459.5198 17942.5517 0.0000 0.0000 34412.8128 -149205.0275 300.5357 -183617.8403 -149115.9648 299.5651 103.1536 135.6962 557048.2698 -10.0189 -10.1761 PRESSURE: 1139200 -391.528 -120.959 277.16 -120.959 -46.5242 5.22732 277.16 5.22891 -210.599 GPRESSURE: 1139200 -328.237 -137 306.5 -92.3098 -56.7049 -45.0806 203.734 70.6357 -158.596 PRESSAVG: 1139200 -26.4334 11.3641 74.3692 11.3642 51.5274 -17.3673 74.3692 -17.3672 -18.2415 GPRESSAVG: 1139200 -27.3387 10.0266 76.1857 10.1682 53.8951 -14.8293 72.8875 -18.3109 -19.9444 TIMING: 1139200 CPU: 3424.31, 0.00297323/step Wall: 3424.31, 0.00297323/step, 3.18863 hours remaining, 209.386719 MB of memory in use. ENERGY: 1139200 779.6638 2123.0678 1919.2070 119.5546 -205764.2095 17479.9994 0.0000 0.0000 34171.9841 -149170.7328 298.4324 -183342.7169 -149073.3656 299.3016 -216.2170 -181.1793 557646.4760 2.2841 2.2040 PRESSURE: 1139400 -125.235 -0.0327411 -88.9882 -0.0314769 -259.747 -118.196 -88.9884 -118.195 -230.996 GPRESSURE: 1139400 -83.1181 -5.62379 -81.3225 -31.712 -191.103 -200.082 -24.7907 -69.8904 -243.446 PRESSAVG: 1139400 31.9615 22.495 9.99018 22.495 9.35804 -26.6829 9.9902 -26.6827 -26.417 GPRESSAVG: 1139400 32.1828 23.4621 8.5956 22.1482 7.80274 -30.4253 12.2746 -24.6167 -25.4912 TIMING: 1139400 CPU: 3424.9, 0.00297119/step Wall: 3424.9, 0.00297119/step, 3.18627 hours remaining, 209.386719 MB of memory in use. ENERGY: 1139400 730.9243 2148.4795 1911.0220 105.3618 -205936.4840 17481.2506 0.0000 0.0000 34355.4095 -149204.0363 300.0343 -183559.4459 -149104.2401 299.7098 -205.3263 -172.5558 558523.0977 4.9675 4.8315 PRESSURE: 1139600 151.662 -6.08199 -30.8694 -6.08198 173.656 10.3969 -30.869 10.3969 424.39 GPRESSURE: 1139600 219.197 -26.7135 -24.8741 -98.3225 213.14 111.043 -52.7093 -11.2988 412.842 PRESSAVG: 1139600 -88.084 -0.984966 -90.2049 -0.984915 1.10691 -22.136 -90.205 -22.1359 49.7256 GPRESSAVG: 1139600 -89.3373 -1.70335 -91.3529 1.04875 2.41024 -19.3535 -91.0161 -22.3613 49.162 TIMING: 1139600 CPU: 3425.51, 0.0030106/step Wall: 3425.51, 0.0030106/step, 3.22837 hours remaining, 209.386719 MB of memory in use. ENERGY: 1139600 745.8630 2131.2352 1933.5231 108.9947 -206375.5733 18063.4583 0.0000 0.0000 34231.0706 -149161.4285 298.9485 -183392.4991 -149069.9752 299.4221 249.9026 281.7265 555478.3271 -12.4172 -12.5884 PRESSURE: 1139800 -128.966 -54.8343 -122.597 -54.8327 -243.739 81.5028 -122.597 81.5026 -41.4792 GPRESSURE: 1139800 -109.778 -7.19377 -64.5099 -126.535 -217.294 80.5487 -112.431 137.477 10.7166 PRESSAVG: 1139800 -6.49955 -9.67343 -13.6033 -9.67334 -12.4804 -13.1808 -13.6033 -13.1806 -7.55202 GPRESSAVG: 1139800 -5.22824 -8.33678 -13.1518 -11.1486 -13.2721 -14.6389 -14.0577 -13.5063 -8.20013 TIMING: 1139800 CPU: 3426.11, 0.00299216/step Wall: 3426.11, 0.00299216/step, 3.20843 hours remaining, 209.386719 MB of memory in use. ENERGY: 1139800 756.6376 2072.4362 1926.4981 112.8826 -205726.4838 17543.5411 0.0000 0.0000 34431.2082 -148883.2799 300.6963 -183314.4881 -148788.9102 300.2351 -138.0613 -105.4519 557615.2420 -8.8440 -8.9001 PRESSURE: 1140000 -6.85674 -50.816 16.0086 -50.8149 148.541 -139.16 16.0084 -139.16 27.0973 GPRESSURE: 1140000 19.9467 32.5067 41.6176 -69.2529 164.422 -131.552 2.28336 -107.535 84.9239 PRESSAVG: 1140000 -37.8131 -22.8612 -22.6656 -22.8611 18.3189 17.5977 -22.6656 17.5978 -5.35872 GPRESSAVG: 1140000 -38.8031 -24.3067 -23.5065 -22.0036 17.6813 19.2602 -21.8367 17.6462 -3.31594 TIMING: 1140000 CPU: 3426.71, 0.00302707/step Wall: 3426.71, 0.00302707/step, 3.2457 hours remaining, 209.386719 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: 1140000 728.9033 2067.4933 1931.6764 128.0282 -206387.3286 17903.3925 0.0000 0.0000 34441.1141 -149186.7208 300.7828 -183627.8349 -149089.6977 300.3859 56.2607 89.7642 556011.3674 -8.2843 -8.1459 PRESSURE: 1140200 -188.728 14.2685 30.3567 14.2673 -22.7788 -123.817 30.3579 -123.817 -115.498 GPRESSURE: 1140200 -153.62 -24.1651 128.606 36.1769 36.945 -202.84 25.6285 -101.463 -94.1782 PRESSAVG: 1140200 1.4852 -26.5432 36.6936 -26.5433 27.6136 -7.12157 36.6936 -7.12163 13.644 GPRESSAVG: 1140200 1.80756 -24.7615 36.7139 -26.5927 28.0008 -6.91541 36.836 -7.87074 12.5843 TIMING: 1140200 CPU: 3427.31, 0.00301308/step Wall: 3427.31, 0.00301308/step, 3.23053 hours remaining, 209.386719 MB of memory in use. ENERGY: 1140200 726.8913 2045.7320 1914.7917 111.7608 -206089.9826 17719.9691 0.0000 0.0000 34523.4277 -149047.4099 301.5017 -183570.8376 -148949.2704 300.3813 -109.0016 -70.2844 557776.6586 14.2476 14.1309 LDB: ============= START OF LOAD BALANCING ============== 3430.83 LDB: ============== END OF LOAD BALANCING =============== 3430.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3430.83 LDB: ============= START OF LOAD BALANCING ============== 3431.14 LDB: Largest compute 4822 load 0.024203 is 20.5% of average load 0.117877 LDB: Average compute 0.001734 is 1.5% of average load 0.117877 LDB: TIME 3431.14 LOAD: AVG 0.117877 MAX 0.214318 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.793 MB LDB: TIME 3431.14 LOAD: AVG 0.117877 MAX 0.214318 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.996 MB LDB: TIME 3431.14 LOAD: AVG 0.117877 MAX 0.214318 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.996 MB LDB: ============== END OF LOAD BALANCING =============== 3431.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3431.15 PRESSURE: 1140400 -42.1411 96.1914 117.038 96.1907 -225.292 12.0575 117.039 12.0587 -129.216 GPRESSURE: 1140400 -7.65709 66.5077 82.1173 187.042 -191.777 0.101646 187.462 28.7108 -98.6245 PRESSAVG: 1140400 -38.9047 4.70909 -46.1768 4.70904 1.75773 1.18216 -46.1767 1.18215 15.8222 GPRESSAVG: 1140400 -39.5417 3.92311 -46.719 3.31624 3.00154 1.54373 -47.611 0.53981 15.4612 TIMING: 1140400 CPU: 3427.93, 0.00309203/step Wall: 3427.93, 0.00309203/step, 3.315 hours remaining, 209.625000 MB of memory in use. ENERGY: 1140400 747.8733 2079.8199 1919.2787 104.7770 -205813.0812 17594.2910 0.0000 0.0000 34234.1875 -149132.8538 298.9757 -183367.0413 -149031.0569 300.3546 -132.2164 -99.3528 558378.1183 -7.1083 -7.0263 PRESSURE: 1140600 59.3169 -0.981141 -93.9343 -0.981811 18.8467 -148.334 -93.9345 -148.335 107.888 GPRESSURE: 1140600 93.1707 56.4091 -100.015 25.9394 40.0012 -199.481 -128.813 -151.387 143.22 PRESSAVG: 1140600 -11.2072 60.4036 -44.7013 60.4035 32.0002 51.5378 -44.7013 51.5377 -29.7668 GPRESSAVG: 1140600 -10.3568 59.4082 -43.411 60.3812 30.5625 49.0531 -44.3416 53.5834 -29.0657 TIMING: 1140600 CPU: 3428.54, 0.00302392/step Wall: 3428.54, 0.00302392/step, 3.24181 hours remaining, 209.625000 MB of memory in use. ENERGY: 1140600 762.6840 2113.4493 1917.9761 114.7332 -206458.2163 18043.5934 0.0000 0.0000 34454.0682 -149051.7122 300.8959 -183505.7804 -148958.2760 300.3279 62.0173 92.1307 557536.9347 -2.9913 -2.9534 PRESSURE: 1140800 -179.388 -80.7385 83.3742 -80.7386 21.7248 40.2159 83.3748 40.2184 2.41366 GPRESSURE: 1140800 -155.289 -55.7449 -19.5268 -66.9018 76.5364 36.3841 189.58 18.6345 17.5944 PRESSAVG: 1140800 -59.6607 0.380359 -17.3175 0.380456 24.8684 -31.2159 -17.3176 -31.2159 31.958 GPRESSAVG: 1140800 -59.1501 3.11976 -18.6948 -0.00477608 25.0013 -29.9251 -16.1546 -29.9967 31.0099 TIMING: 1140800 CPU: 3429.14, 0.00301694/step Wall: 3429.14, 0.00301694/step, 3.23416 hours remaining, 209.625000 MB of memory in use. ENERGY: 1140800 793.4839 2074.5794 1928.4324 110.1605 -206277.5214 17828.0682 0.0000 0.0000 34208.6172 -149334.1797 298.7524 -183542.7969 -149233.8304 300.1773 -51.7500 -20.3860 558446.2788 -0.9448 -1.0463 PRESSURE: 1141000 -261.017 93.215 222.145 93.2163 -13.1299 145.302 222.145 145.304 67.7549 GPRESSURE: 1141000 -218.588 97.5249 192.179 113.501 -18.7076 171.884 246.65 173.637 137.092 PRESSAVG: 1141000 14.187 -1.77861 25.908 -1.77856 -13.8395 49.2442 25.9079 49.2442 -42.2987 GPRESSAVG: 1141000 13.7779 -2.99861 25.1224 -2.41436 -13.0628 49.6626 27.4534 48.8074 -41.7283 TIMING: 1141000 CPU: 3429.74, 0.00301554/step Wall: 3429.74, 0.00301554/step, 3.23249 hours remaining, 209.625000 MB of memory in use. ENERGY: 1141000 743.3877 2062.2336 1949.1087 112.4174 -206161.1917 17775.8832 0.0000 0.0000 34113.2711 -149404.8899 297.9197 -183518.1610 -149308.4130 298.6664 -68.7973 -33.4014 556971.9759 -13.9838 -13.6711 PRESSURE: 1141200 53.1474 35.0908 35.5324 35.0915 -278.633 -80.6683 35.533 -80.6698 -55.3654 GPRESSURE: 1141200 81.2578 93.6188 12.1315 -64.729 -266.258 -65.2879 28.8305 -70.1412 1.62668 PRESSAVG: 1141200 41.4158 -36.2922 -22.953 -36.2922 0.114947 3.41704 -22.9531 3.41711 -14.1685 GPRESSAVG: 1141200 41.7401 -37.3181 -22.4745 -36.5043 -0.235828 5.02479 -25.0334 0.769996 -14.7801 TIMING: 1141200 CPU: 3430.34, 0.00300475/step Wall: 3430.34, 0.00300475/step, 3.22076 hours remaining, 209.625000 MB of memory in use. ENERGY: 1141200 730.5041 2109.3656 1944.2888 115.4089 -206005.7202 17532.7549 0.0000 0.0000 34223.9147 -149349.4832 298.8860 -183573.3979 -149253.5673 299.4652 -93.6169 -61.1245 557603.9741 9.1207 8.9081 PRESSURE: 1141400 174.864 -70.6294 -5.10723 -70.6294 4.48648 85.5786 -5.1071 85.5788 -171.272 GPRESSURE: 1141400 202.249 -40.2953 6.64514 -80.8012 31.3497 18.1532 -56.0093 19.0748 -127.195 PRESSAVG: 1141400 22.2461 -18.83 -5.94559 -18.8299 -42.6279 -37.1262 -5.94561 -37.1262 28.9425 GPRESSAVG: 1141400 22.426 -19.94 -3.13003 -16.1234 -42.4405 -39.3778 -7.49617 -35.1354 29.0828 TIMING: 1141400 CPU: 3430.95, 0.00303017/step Wall: 3430.95, 0.00303017/step, 3.24784 hours remaining, 209.625000 MB of memory in use. ENERGY: 1141400 753.2906 2087.8382 1943.7693 114.6333 -206736.6993 17970.7720 0.0000 0.0000 34396.7767 -149469.6192 300.3956 -183866.3959 -149373.5559 299.1140 2.6930 35.4681 557238.3128 2.8536 3.0228 PRESSURE: 1141600 -33.5576 -29.0797 45.2656 -29.0808 16.6265 -10.4464 45.2667 -10.4468 -110.205 GPRESSURE: 1141600 -19.0246 -46.4175 68.9651 0.362179 33.2269 -36.73 -24.076 -55.7802 -46.9877 PRESSAVG: 1141600 23.4748 -12.1928 -14.1166 -12.1928 -41.8473 3.03327 -14.1165 3.03317 40.7519 GPRESSAVG: 1141600 21.4895 -12.1379 -15.4403 -13.5644 -41.0255 4.48332 -15.0891 2.85362 41.9895 TIMING: 1141600 CPU: 3431.56, 0.00306449/step Wall: 3431.56, 0.00306449/step, 3.28445 hours remaining, 209.625000 MB of memory in use. ENERGY: 1141600 765.7973 2086.2885 1949.9040 114.8675 -206262.7299 17881.5781 0.0000 0.0000 34154.0716 -149310.2230 298.2760 -183464.2946 -149215.4682 298.9242 -42.3788 -10.9285 558696.7284 7.4598 7.4845 PRESSURE: 1141800 122.59 10.6136 112.881 10.6143 97.8714 -55.4312 112.88 -55.4316 -80.6407 GPRESSURE: 1141800 154.498 -47.996 11.8029 65.3279 144.974 -9.56236 160.273 -99.8441 -51.9789 PRESSAVG: 1141800 64.5124 -52.2567 -70.5596 -52.2568 -30.2667 -8.22747 -70.5597 -8.22743 -30.0956 GPRESSAVG: 1141800 65.4189 -48.9525 -71.4858 -52.3956 -31.3541 -8.32028 -68.3472 -8.55333 -30.0754 TIMING: 1141800 CPU: 3432.17, 0.00304013/step Wall: 3432.17, 0.00304013/step, 3.25818 hours remaining, 209.625000 MB of memory in use. ENERGY: 1141800 774.9100 2123.5306 1961.7568 119.5375 -206386.3081 17895.4453 0.0000 0.0000 34135.7408 -149375.3871 298.1159 -183511.1279 -149280.1891 299.0183 46.6071 82.4979 556983.8577 1.3834 1.3298 PRESSURE: 1142000 48.0272 144.957 -70.82 144.957 -410.818 -51.3933 -70.8189 -51.3926 -46.2033 GPRESSURE: 1142000 55.7065 203.957 -89.9514 79.8727 -316.357 -76.8139 -30.2612 -105.967 -51.1559 PRESSAVG: 1142000 17.6278 -32.6869 -32.5756 -32.6871 -15.9132 -24.4829 -32.5756 -24.4829 -5.38934 GPRESSAVG: 1142000 18.1475 -34.3863 -33.0951 -33.2189 -14.8559 -24.9502 -33.126 -23.2197 -6.97901 TIMING: 1142000 CPU: 3432.78, 0.00302218/step Wall: 3432.78, 0.00302218/step, 3.23877 hours remaining, 209.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1142000 764.5680 2109.5151 1922.6537 116.7648 -206211.8829 17748.9255 0.0000 0.0000 34307.4391 -149242.0168 299.6154 -183549.4559 -149142.9067 298.6702 -136.3315 -103.9354 558706.2791 -1.2249 -1.2291 PRESSURE: 1142200 -95.1582 8.79423 -93.2092 8.79476 120.042 -24.9972 -93.2093 -24.9982 82.1007 GPRESSURE: 1142200 -56.0856 -26.9362 -87.0429 81.9575 158.782 26.7015 -144.463 36.3508 109.484 PRESSAVG: 1142200 37.7606 66.4491 50.6284 66.4492 -40.0573 -32.2553 50.6284 -32.2553 20.621 GPRESSAVG: 1142200 38.2989 65.4725 53.6949 67.7023 -40.9462 -32.113 48.1522 -32.6992 21.3299 TIMING: 1142200 CPU: 3433.38, 0.00304032/step Wall: 3433.38, 0.00304032/step, 3.25804 hours remaining, 209.625000 MB of memory in use. ENERGY: 1142200 753.0321 2100.2369 1956.1853 107.4302 -206155.2522 17836.0142 0.0000 0.0000 34173.1159 -149229.2376 298.4423 -183402.3535 -149131.7541 299.4696 35.6616 70.7269 556946.4037 6.1081 6.2275 PRESSURE: 1142400 149.731 -95.876 137.16 -95.8767 163.486 113.01 137.16 113.01 223.512 GPRESSURE: 1142400 227.842 14.0599 128.084 -192.538 227.016 35.1316 92.5174 70.3896 178.69 PRESSAVG: 1142400 -17.3695 9.67218 29.4648 9.67217 -46.4465 -46.1863 29.4647 -46.1864 74.2084 GPRESSAVG: 1142400 -17.479 11.4808 28.909 8.15765 -45.9698 -45.1158 31.8142 -49.0592 74.039 TIMING: 1142400 CPU: 3433.99, 0.00303533/step Wall: 3433.99, 0.00303533/step, 3.25252 hours remaining, 209.625000 MB of memory in use. ENERGY: 1142400 726.0498 2150.0983 1910.4431 103.6095 -206301.4671 17877.7028 0.0000 0.0000 34225.5227 -149308.0407 298.9000 -183533.5635 -149204.6486 299.2215 178.9098 211.1826 556695.1729 3.4641 3.5301 PRESSURE: 1142600 -346.295 -26.9649 156.69 -26.965 -89.7049 44.1977 156.69 44.196 -208.972 GPRESSURE: 1142600 -267.564 -43.7809 176.595 -30.4796 -63.6795 170.865 127.708 90.0048 -206.554 PRESSAVG: 1142600 5.51325 -33.3868 46.5105 -33.3868 79.8672 -56.8275 46.5104 -56.8275 -45.0903 GPRESSAVG: 1142600 7.10817 -33.9885 45.3078 -33.1287 77.8103 -59.1544 45.4132 -54.5763 -45.0879 TIMING: 1142600 CPU: 3434.6, 0.00303302/step Wall: 3434.6, 0.00303302/step, 3.24988 hours remaining, 209.625000 MB of memory in use. ENERGY: 1142600 764.7066 2077.4232 1946.2953 111.8565 -206054.0330 17573.5996 0.0000 0.0000 34256.1384 -149324.0133 299.1674 -183580.1517 -149219.7886 299.2128 -214.9905 -179.2659 556796.5295 13.4301 13.2769 PRESSURE: 1142800 -76.273 83.0948 -6.47294 83.0953 -318.858 -52.7869 -6.47415 -52.7872 10.7561 GPRESSURE: 1142800 -50.2028 119.278 -106.695 37.9582 -260.386 -40.8024 36.803 -97.7035 22.6294 PRESSAVG: 1142800 91.9013 -34.6587 -7.79788 -34.6587 20.821 27.3113 -7.79778 27.3112 -32.7299 GPRESSAVG: 1142800 89.5488 -35.8222 -9.00431 -34.0657 22.6949 28.1152 -6.34823 27.6146 -32.7915 TIMING: 1142800 CPU: 3435.2, 0.00303582/step Wall: 3435.2, 0.00303582/step, 3.25271 hours remaining, 209.625000 MB of memory in use. ENERGY: 1142800 768.8911 2078.6811 1925.0882 126.2373 -206277.4411 17878.3855 0.0000 0.0000 34206.0828 -149294.0751 298.7302 -183500.1579 -149200.3583 298.6285 -128.1248 -95.9864 558991.3717 26.6641 26.4841 PRESSURE: 1143000 13.7174 -263.223 -69.087 -263.224 -254.573 86.1591 -69.0868 86.1597 -372.23 GPRESSURE: 1143000 17.7134 -245.093 -85.7982 -226.449 -239.007 148.083 -141.409 -6.14033 -304.604 PRESSAVG: 1143000 78.0555 29.1871 3.06327 29.1871 2.95403 -2.15098 3.06331 -2.15109 -47.1281 GPRESSAVG: 1143000 77.9606 31.4101 5.06042 27.8099 2.85495 -1.6779 2.90118 -1.99829 -47.1214 TIMING: 1143000 CPU: 3435.81, 0.00303123/step Wall: 3435.81, 0.00303123/step, 3.24763 hours remaining, 209.625000 MB of memory in use. ENERGY: 1143000 779.7833 2085.5884 1909.8949 107.1156 -205790.0839 17501.2584 0.0000 0.0000 34094.1282 -149312.3150 297.7525 -183406.4433 -149213.6028 299.0101 -204.3621 -175.2995 557953.0115 11.2938 11.2314 PRESSURE: 1143200 -109.636 4.59027 80.4725 4.59017 349.263 102.032 80.472 102.03 -172.514 GPRESSURE: 1143200 -138.784 24.5762 129.816 25.2252 435.427 3.10062 107.618 106.852 -138.57 PRESSAVG: 1143200 5.15228 37.0817 -5.39797 37.0817 -16.4964 -1.35397 -5.39797 -1.35404 18.0192 GPRESSAVG: 1143200 4.74048 37.4125 -6.04012 37.4571 -16.3013 -1.36972 -5.8154 -2.27408 18.3772 TIMING: 1143200 CPU: 3436.42, 0.0030552/step Wall: 3436.42, 0.0030552/step, 3.27313 hours remaining, 209.625000 MB of memory in use. ENERGY: 1143200 729.1601 2059.0067 1938.6860 106.5322 -206229.5798 17617.8110 0.0000 0.0000 34246.9651 -149531.4188 299.0873 -183778.3839 -149435.1668 299.3778 22.3711 52.6912 556497.1186 2.2250 2.2721 PRESSURE: 1143400 142.47 -75.4133 -62.5302 -75.4147 1.38159 150.424 -62.5316 150.423 -23.5468 GPRESSURE: 1143400 157.151 -82.1707 -35.5159 -74.6758 52.7443 89.6541 -61.6934 85.6504 8.69372 PRESSAVG: 1143400 -2.8168 19.2355 7.17341 19.2355 22.5799 18.9625 7.17338 18.9624 -9.6269 GPRESSAVG: 1143400 -2.6534 18.2029 6.46918 17.2138 24.3321 17.7418 6.21884 20.0956 -11.4866 TIMING: 1143400 CPU: 3437.03, 0.00303291/step Wall: 3437.03, 0.00303291/step, 3.24909 hours remaining, 209.625000 MB of memory in use. ENERGY: 1143400 730.3075 2051.3285 1951.0396 114.6563 -206243.3447 17769.7552 0.0000 0.0000 34215.1713 -149411.0863 298.8096 -183626.2576 -149313.6121 299.1979 40.1016 72.8629 556419.8672 3.3787 3.3974 PRESSURE: 1143600 15.648 -16.6075 137.57 -16.605 13.1671 -264.536 137.571 -264.536 -154.01 GPRESSURE: 1143600 40.5006 94.4687 141.976 3.84307 29.2091 -250.804 156.743 -221.27 -104.709 PRESSAVG: 1143600 21.4178 18.1622 41.1013 18.1623 -12.352 1.58773 41.1013 1.58773 -56.7799 GPRESSAVG: 1143600 22.3051 18.8263 41.8872 19.8912 -15.4815 0.917721 41.8566 0.808175 -55.0013 TIMING: 1143600 CPU: 3437.64, 0.00306919/step Wall: 3437.64, 0.00306919/step, 3.28778 hours remaining, 209.625000 MB of memory in use. ENERGY: 1143600 768.7068 2045.6870 1960.4768 116.2087 -206067.2595 17655.3792 0.0000 0.0000 34233.4861 -149287.3150 298.9695 -183520.8010 -149192.7362 299.3255 -41.7318 -11.6666 554786.6952 -15.9047 -16.0592 PRESSURE: 1143800 -341.993 -276.669 32.8146 -276.669 -174.915 27.4935 32.8136 27.493 -79.095 GPRESSURE: 1143800 -228.527 -313.021 4.43224 -262.629 -154.382 -40.2323 52.2493 103.542 -109.903 PRESSAVG: 1143800 -36.0816 -22.0501 45.861 -22.05 19.984 -8.2528 45.861 -8.25284 17.0495 GPRESSAVG: 1143800 -36.7633 -24.2499 44.6353 -20.2602 21.3162 -8.28538 46.3786 -8.06224 15.8234 TIMING: 1143800 CPU: 3438.26, 0.00307388/step Wall: 3438.26, 0.00307388/step, 3.29264 hours remaining, 209.625000 MB of memory in use. ENERGY: 1143800 786.4615 2044.7983 1944.2956 117.9475 -205566.0017 17373.4813 0.0000 0.0000 34089.9035 -149209.1140 297.7156 -183299.0175 -149115.9342 299.6369 -198.6675 -164.2706 557571.9290 0.3173 0.1254 PRESSURE: 1144000 -135.782 140.28 -129.714 140.281 -218.95 78.4272 -129.713 78.4253 -255.921 GPRESSURE: 1144000 -137.294 156.872 -192.136 56.2023 -150.126 118.72 -104.064 35.3968 -238.637 PRESSAVG: 1144000 33.6917 -59.7292 1.90947 -59.7293 56.0536 80.5407 1.90957 80.5407 -74.7852 GPRESSAVG: 1144000 33.6164 -55.4831 3.68279 -62.6786 56.5943 82.3404 -0.434482 80.6496 -74.9545 TIMING: 1144000 CPU: 3438.87, 0.00308033/step Wall: 3438.87, 0.00308033/step, 3.29937 hours remaining, 209.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1144000 744.6573 2088.3513 1925.6797 116.8703 -206002.0997 17560.4891 0.0000 0.0000 34334.6679 -149231.3841 299.8532 -183566.0520 -149136.6655 298.8303 -203.5511 -175.3521 558892.3110 4.9867 5.0854 PRESSURE: 1144200 214.351 105.379 -33.8053 105.381 12.764 66.0178 -33.8048 66.0181 437.305 GPRESSURE: 1144200 281.27 16.3614 -7.52855 47.536 26.0275 96.7045 -54.0314 11.1008 457.118 PRESSAVG: 1144200 103.118 -11.3379 -35.5584 -11.3378 -71.4322 -46.0064 -35.5584 -46.0064 -0.24574 GPRESSAVG: 1144200 103.018 -13.6496 -35.7743 -11.6251 -71.9357 -46.9287 -33.4053 -46.7598 0.193231 TIMING: 1144200 CPU: 3439.48, 0.00305464/step Wall: 3439.48, 0.00305464/step, 3.27169 hours remaining, 209.625000 MB of memory in use. ENERGY: 1144200 723.5256 2087.4728 1933.9704 118.0303 -206369.3325 18079.9883 0.0000 0.0000 34207.4954 -149218.8496 298.7426 -183426.3450 -149122.3539 299.2306 221.4732 254.8049 558081.4333 10.4800 10.4252 LDB: ============= START OF LOAD BALANCING ============== 3443.01 LDB: ============== END OF LOAD BALANCING =============== 3443.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3443.01 LDB: ============= START OF LOAD BALANCING ============== 3443.32 LDB: Largest compute 4822 load 0.025974 is 22.0% of average load 0.117992 LDB: Average compute 0.001731 is 1.5% of average load 0.117992 LDB: TIME 3443.32 LOAD: AVG 0.117992 MAX 0.217092 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.309 MB LDB: TIME 3443.32 LOAD: AVG 0.117992 MAX 0.217092 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.379 MB LDB: TIME 3443.32 LOAD: AVG 0.117992 MAX 0.217092 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.379 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3443.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3443.33 PRESSURE: 1144400 -112.308 118.326 -70.8439 118.327 -99.1783 59.0865 -70.8451 59.0871 -28.8249 GPRESSURE: 1144400 -104.19 187.928 25.7168 101.568 -118.992 34.6623 -146.024 45.1097 67.5956 PRESSAVG: 1144400 3.84754 84.9684 -28.991 84.9684 -64.9866 4.08593 -28.991 4.08605 68.1291 GPRESSAVG: 1144400 3.56649 85.4202 -28.4822 85.7742 -65.5129 4.94711 -30.405 4.69492 68.2515 TIMING: 1144400 CPU: 3440.11, 0.0031513/step Wall: 3440.11, 0.0031513/step, 3.37505 hours remaining, 205.449219 MB of memory in use. ENERGY: 1144400 709.6435 2067.6083 1928.6140 111.9743 -206086.4979 17621.3065 0.0000 0.0000 34356.7226 -149290.6287 300.0458 -183647.3513 -149196.5854 298.5599 -80.1036 -51.8623 558972.8652 2.3300 2.1017 PRESSURE: 1144600 -142.276 17.7937 -165.167 17.7943 -86.989 83.7051 -165.167 83.7041 -114.488 GPRESSURE: 1144600 -123.329 7.93799 -192.352 -62.2887 -1.00847 79.5725 -203.648 121.148 -122.58 PRESSAVG: 1144600 -97.2685 62.7969 -71.2583 62.7969 82.9967 9.94874 -71.2584 9.94878 3.88371 GPRESSAVG: 1144600 -96.3416 59.3478 -71.5354 64.582 83.2137 8.84718 -69.8518 10.32 2.57175 TIMING: 1144600 CPU: 3440.73, 0.0030568/step Wall: 3440.73, 0.0030568/step, 3.27367 hours remaining, 205.449219 MB of memory in use. ENERGY: 1144600 755.2852 2046.1622 1940.9084 103.2660 -206104.0405 17827.1234 0.0000 0.0000 34116.6106 -149314.6847 297.9488 -183431.2953 -149217.8582 299.0313 -114.5843 -82.3056 557897.6919 -3.4627 -3.5187 PRESSURE: 1144800 295.12 48.9497 -49.7154 48.948 -41.178 66.1516 -49.7163 66.1523 30.9354 GPRESSURE: 1144800 266.874 30.0542 11.4405 107.003 -12.3757 60.2421 -76.0032 68.0141 125.746 PRESSAVG: 1144800 -35.306 47.5607 5.89037 47.5606 3.96906 50.8476 5.8904 50.8475 11.674 GPRESSAVG: 1144800 -35.9314 48.9921 6.27354 47.2429 4.54764 52.7598 6.86243 48.9148 12.048 TIMING: 1144800 CPU: 3441.35, 0.00311619/step Wall: 3441.35, 0.00311619/step, 3.33709 hours remaining, 205.449219 MB of memory in use. ENERGY: 1144800 751.4114 2047.9748 1944.0152 110.9495 -206646.6915 18185.2535 0.0000 0.0000 34337.1126 -149269.9746 299.8745 -183607.0872 -149178.7698 298.9452 94.9592 126.7481 557046.0062 -6.5543 -6.4452 PRESSURE: 1145000 -178.196 6.82598 -202.913 6.82648 -43.9285 23.8912 -202.912 23.891 50.5445 GPRESSURE: 1145000 -133.846 7.13411 -182.347 5.07631 9.5092 -84.987 -228.458 72.1827 47.2947 PRESSAVG: 1145000 -4.88675 -25.7827 -69.4372 -25.7826 70.6942 13.4108 -69.4372 13.4109 -53.0407 GPRESSAVG: 1145000 -4.48591 -23.7861 -68.6792 -26.39 69.8096 13.1086 -72.2471 14.1144 -53.2456 TIMING: 1145000 CPU: 3441.97, 0.00308331/step Wall: 3441.97, 0.00308331/step, 3.30171 hours remaining, 205.449219 MB of memory in use. ENERGY: 1145000 739.4034 2041.3626 1952.0184 106.8639 -205701.2050 17613.0977 0.0000 0.0000 34339.7072 -148908.7518 299.8972 -183248.4590 -148808.7583 299.3692 -57.1934 -25.6809 558821.7838 4.2556 4.0260 PRESSURE: 1145200 -111.073 -41.5759 77.8273 -41.5746 -126.226 234.948 77.8273 234.946 -186.27 GPRESSURE: 1145200 -90.3011 -70.4913 80.6507 -11.9202 -122.752 227.014 -0.160234 179.188 -108.993 PRESSAVG: 1145200 24.792 9.35077 -49.0307 9.35075 -33.3523 21.1319 -49.0307 21.1318 14.3611 GPRESSAVG: 1145200 24.0308 8.52146 -49.3125 8.14303 -33.2802 20.7124 -50.3977 22.1877 14.9075 TIMING: 1145200 CPU: 3442.58, 0.0030961/step Wall: 3442.58, 0.00309609/step, 3.31523 hours remaining, 205.449219 MB of memory in use. ENERGY: 1145200 737.8350 2126.4473 1935.5493 112.6539 -205891.1879 17653.1117 0.0000 0.0000 34468.8924 -148856.6984 301.0254 -183325.5908 -148765.0346 299.9404 -141.1895 -107.3487 560022.1325 1.9336 1.8860 PRESSURE: 1145400 -195.589 29.5271 -25.3339 29.528 -194.053 120.34 -25.3344 120.34 5.03591 GPRESSURE: 1145400 -139.563 -17.8088 -24.7912 -0.333384 -179.729 150.42 -1.99562 115.461 29.0318 PRESSAVG: 1145400 -9.69653 -39.164 7.21257 -39.1639 -69.4205 68.0178 7.21254 68.0179 67.7437 GPRESSAVG: 1145400 -9.68905 -40.6096 5.57325 -39.1548 -68.6191 68.1572 11.1762 68.4112 66.5085 TIMING: 1145400 CPU: 3443.2, 0.00307411/step Wall: 3443.2, 0.00307411/step, 3.29152 hours remaining, 205.449219 MB of memory in use. ENERGY: 1145400 720.6297 2110.7031 1954.5114 111.8608 -205614.1366 17491.3428 0.0000 0.0000 34360.5743 -148864.5145 300.0794 -183225.0888 -148768.0327 299.8203 -128.2022 -96.7533 559369.9006 -3.7911 -3.9332 PRESSURE: 1145600 125.856 168.082 -43.9873 168.08 79.5944 162.157 -43.9861 162.157 -82.8455 GPRESSURE: 1145600 178.116 18.5563 -139.699 220.727 69.3146 170.29 6.61334 95.54 -22.6517 PRESSAVG: 1145600 8.73584 -30.2504 -47.821 -30.2505 -103.725 31.1085 -47.8211 31.1085 72.4958 GPRESSAVG: 1145600 8.35565 -28.2766 -47.0684 -30.4617 -103.407 31.5511 -49.5997 30.2192 73.2303 TIMING: 1145600 CPU: 3443.81, 0.00307084/step Wall: 3443.81, 0.00307084/step, 3.28784 hours remaining, 205.449219 MB of memory in use. ENERGY: 1145600 700.2857 2113.0899 1941.1406 107.3285 -205964.4351 17660.7484 0.0000 0.0000 34219.1554 -149222.6866 298.8444 -183441.8420 -149128.0932 300.2073 40.8682 74.9264 558391.3671 -7.4977 -7.2738 PRESSURE: 1145800 -45.4936 -53.8963 51.1555 -53.8969 -144.618 -174.005 51.156 -174.005 9.3267 GPRESSURE: 1145800 -35.7902 7.54064 35.3108 -91.4592 -113.667 -212.037 55.2345 -60.3004 85.6932 PRESSAVG: 1145800 61.6735 16.2666 -56.0307 16.2666 -36.3042 -1.14697 -56.0307 -1.14703 -9.15456 GPRESSAVG: 1145800 62.9932 15.4712 -55.3232 17.3961 -36.3467 -0.130499 -57.1345 -2.94843 -10.0609 TIMING: 1145800 CPU: 3444.42, 0.00305755/step Wall: 3444.42, 0.00305755/step, 3.27344 hours remaining, 205.449219 MB of memory in use. ENERGY: 1145800 749.4355 2096.7478 1962.2455 112.5096 -206138.2052 17717.0885 0.0000 0.0000 34205.8523 -149294.3260 298.7282 -183500.1783 -149212.8610 298.9431 -60.2615 -21.2546 557623.7201 5.4049 5.5285 PRESSURE: 1146000 147.083 -75.2739 -178.456 -75.2735 -154.846 28.3391 -178.455 28.3393 193.364 GPRESSURE: 1146000 183.435 -119.404 -238.315 -80.9475 -130.579 129.299 -145.321 -87.4235 241.925 PRESSAVG: 1146000 -31.4493 15.6541 -53.8729 15.6542 -2.43268 -11.8636 -53.8728 -11.8636 39.6772 GPRESSAVG: 1146000 -33.0655 17.2512 -55.7366 15.1616 -0.784772 -13.3218 -53.0425 -10.2622 40.4147 TIMING: 1146000 CPU: 3445.03, 0.00303691/step Wall: 3445.03, 0.00303691/step, 3.25118 hours remaining, 205.449219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1146000 735.3763 2077.7544 1915.6057 112.8351 -206491.6778 18076.7384 0.0000 0.0000 34160.9165 -149412.4514 298.3358 -183573.3679 -149306.2278 298.8799 61.8672 98.2604 559015.2420 1.9317 2.1881 PRESSURE: 1146200 -229.859 -20.6226 -56.535 -20.6235 -131.578 117.234 -56.5342 117.235 -39.3356 GPRESSURE: 1146200 -194.614 56.6194 -15.2306 -76.9854 -99.1587 91.9869 -79.5984 110.726 -13.4304 PRESSAVG: 1146200 0.508606 -32.9693 -50.9891 -32.9693 -41.4261 33.6063 -50.989 33.6064 26.7219 GPRESSAVG: 1146200 2.37313 -34.5677 -49.045 -31.9817 -43.1145 32.229 -50.7622 34.0752 26.5451 TIMING: 1146200 CPU: 3445.64, 0.00304657/step Wall: 3445.64, 0.00304657/step, 3.26135 hours remaining, 205.449219 MB of memory in use. ENERGY: 1146200 742.2931 2063.3335 1936.2728 122.6644 -206293.3746 17700.4039 0.0000 0.0000 34168.1839 -149560.2230 298.3992 -183728.4069 -149463.3625 298.9095 -133.5910 -102.4011 559663.2190 -4.7319 -4.7321 PRESSURE: 1146400 -85.18 34.7843 -145.137 34.7835 24.314 -160.569 -145.137 -160.567 -244.005 GPRESSURE: 1146400 -42.9877 -24.849 -162.637 54.181 8.62829 -88.0441 -39.8838 -243.56 -172.803 PRESSAVG: 1146400 30.0197 45.012 -53.6146 45.012 -17.4034 -5.09815 -53.6146 -5.09822 22.7613 GPRESSAVG: 1146400 29.5304 45.5861 -55.37 43.9275 -16.3507 -2.49274 -52.0563 -5.80153 22.2107 TIMING: 1146400 CPU: 3446.25, 0.00305068/step Wall: 3446.25, 0.00305068/step, 3.26558 hours remaining, 205.449219 MB of memory in use. ENERGY: 1146400 797.8527 2073.2912 1944.9576 117.6652 -206594.6271 17993.3429 0.0000 0.0000 34190.9182 -149476.5993 298.5978 -183667.5175 -149391.9906 298.2333 -101.6238 -69.0542 557150.2928 11.7925 11.7968 PRESSURE: 1146600 -39.9813 -139.664 6.76396 -139.666 139.061 -74.1471 6.76359 -74.1458 25.3166 GPRESSURE: 1146600 48.0911 -94.5766 26.9392 -102.011 137.898 -237.907 14.5247 12.9711 34.2612 PRESSAVG: 1146600 -38.0277 7.49485 -18.1351 7.49477 66.1394 26.6415 -18.1352 26.6416 9.59602 GPRESSAVG: 1146600 -38.421 8.7238 -16.8195 8.76947 65.8144 25.2781 -16.7642 26.6707 10.3344 TIMING: 1146600 CPU: 3446.86, 0.00304383/step Wall: 3446.86, 0.00304383/step, 3.25809 hours remaining, 205.449219 MB of memory in use. ENERGY: 1146600 716.1616 2098.7062 1941.1495 97.0870 -206462.3842 17956.8542 0.0000 0.0000 34297.4791 -149354.9467 299.5284 -183652.4258 -149256.6776 300.2011 41.4655 73.4166 556672.1666 12.5693 12.5759 PRESSURE: 1146800 -97.7271 15.6521 -19.7814 15.6521 -240.063 -37.2313 -19.7825 -37.2318 -355.187 GPRESSURE: 1146800 -70.94 -6.52137 -131.178 33.2951 -217.676 50.4395 22.9417 -23.6695 -312.601 PRESSAVG: 1146800 10.2677 -40.4332 -20.1812 -40.4333 -18.5724 30.3751 -20.1812 30.3751 -14.3759 GPRESSAVG: 1146800 9.78604 -41.0822 -20.7837 -42.8767 -18.7662 29.4174 -21.7826 32.6001 -13.8453 TIMING: 1146800 CPU: 3447.47, 0.00304379/step Wall: 3447.47, 0.00304379/step, 3.25787 hours remaining, 205.449219 MB of memory in use. ENERGY: 1146800 765.2446 2082.8579 1950.8967 114.0107 -206083.2777 17547.8451 0.0000 0.0000 34418.1167 -149204.3059 300.5820 -183622.4226 -149099.5047 299.7516 -230.9926 -200.4053 557415.8066 -7.5602 -7.6085 PRESSURE: 1147000 17.0476 39.2641 49.2687 39.2654 8.30545 184.153 49.2681 184.152 -35.41 GPRESSURE: 1147000 109.242 33.6756 67.4554 16.1017 75.3374 200.194 29.1686 192.455 -95.5838 PRESSAVG: 1147000 58.3115 26.2916 -7.75776 26.2916 -24.0356 -22.1113 -7.75777 -22.1112 -33.3102 GPRESSAVG: 1147000 58.4682 23.6606 -6.94987 28.1221 -22.759 -20.9944 -7.45216 -24.3368 -33.9466 TIMING: 1147000 CPU: 3448.08, 0.00305827/step Wall: 3448.08, 0.00305827/step, 3.2732 hours remaining, 205.449219 MB of memory in use. ENERGY: 1147000 755.5454 2037.6126 1942.4072 108.5265 -206318.3235 18003.8580 0.0000 0.0000 34283.6600 -149186.7138 299.4077 -183470.3738 -149094.7496 299.7967 -3.3523 29.6650 557143.5233 0.3219 0.5876 PRESSURE: 1147200 -85.2815 -118.468 -108.303 -118.469 6.89855 -150.341 -108.304 -150.339 -186.128 GPRESSURE: 1147200 -48.3116 -52.7531 -143.185 -192.225 -11.3616 -145.474 -116.43 -63.981 -104.319 PRESSAVG: 1147200 16.3472 32.1848 -19.5902 32.1846 -18.9815 -12.7971 -19.5901 -12.7973 4.19244 GPRESSAVG: 1147200 16.4442 34.5594 -18.8645 31.639 -18.7699 -12.3954 -20.5176 -13.3529 4.01895 TIMING: 1147200 CPU: 3448.69, 0.00304752/step Wall: 3448.69, 0.00304752/step, 3.26152 hours remaining, 205.449219 MB of memory in use. ENERGY: 1147200 761.8237 2046.7717 1943.3750 111.4182 -206101.2665 17714.7498 0.0000 0.0000 34384.7029 -149138.4252 300.2902 -183523.1281 -149041.3172 299.1873 -88.1704 -54.6641 557741.9589 0.5194 0.5644 PRESSURE: 1147400 -110.046 60.3229 -122.766 60.3221 -42.5879 -116.248 -122.767 -116.248 -124.758 GPRESSURE: 1147400 -15.8182 -19.464 -197.457 171.667 -25.1978 -209.59 -86.3731 -42.8228 -140.243 PRESSAVG: 1147400 -52.662 14.5329 -53.7967 14.5329 3.31301 -27.0512 -53.7967 -27.0513 31.3387 GPRESSAVG: 1147400 -51.9725 13.7784 -55.8968 16.3482 2.22728 -26.8568 -51.3258 -25.444 32.2548 TIMING: 1147400 CPU: 3449.3, 0.00306467/step Wall: 3449.3, 0.00306467/step, 3.2797 hours remaining, 205.449219 MB of memory in use. ENERGY: 1147400 729.0732 2077.6901 1950.3606 123.0659 -205873.4743 17559.8584 0.0000 0.0000 34520.1837 -148913.2425 301.4734 -183433.4262 -148815.0359 299.4652 -92.4640 -60.4198 558127.4610 -6.0034 -5.8301 PRESSURE: 1147600 -36.5194 -128.554 -94.2263 -128.552 -69.4573 79.2086 -94.2274 79.2086 180.011 GPRESSURE: 1147600 -0.466396 -172.849 -104.966 -127.205 -20.8525 140.66 -113.214 48.5663 190.189 PRESSAVG: 1147600 57.4201 -3.09144 -43.2361 -3.09141 27.0196 31.299 -43.2361 31.299 -33.6708 GPRESSAVG: 1147600 56.127 -3.10764 -42.0676 -3.51178 28.7227 30.4814 -43.712 29.4832 -34.069 TIMING: 1147600 CPU: 3449.91, 0.00304698/step Wall: 3449.91, 0.00304698/step, 3.26061 hours remaining, 205.449219 MB of memory in use. ENERGY: 1147600 767.5495 2022.6775 1946.5635 115.7006 -205954.1659 17668.2258 0.0000 0.0000 34411.6528 -149021.7962 300.5255 -183433.4490 -148930.1138 299.3573 24.6782 56.2899 557050.6895 16.9230 16.9269 PRESSURE: 1147800 238.404 107.413 -82.4568 107.411 -49.1027 208.905 -82.4559 208.906 -24.4967 GPRESSURE: 1147800 250.077 2.81696 -65.2439 196.007 -15.4535 151.123 3.36105 211.626 33.2751 PRESSAVG: 1147800 -0.296659 -51.8521 19.5623 -51.8521 13.5924 8.09693 19.5622 8.09698 9.36183 GPRESSAVG: 1147800 0.853106 -52.5059 18.6151 -51.3042 11.9091 6.82391 19.093 6.5295 10.2672 TIMING: 1147800 CPU: 3450.52, 0.00303624/step Wall: 3450.52, 0.00303624/step, 3.24895 hours remaining, 205.449219 MB of memory in use. ENERGY: 1147800 748.3631 2069.6832 1900.5236 107.5352 -206387.8801 18049.6947 0.0000 0.0000 34343.9057 -149168.1747 299.9339 -183512.0804 -149074.0807 299.7334 54.9347 89.2997 556607.9884 7.5525 7.6765 PRESSURE: 1148000 213.637 118.431 56.4198 118.43 -122.699 -108.912 56.4193 -108.913 179.388 GPRESSURE: 1148000 237.676 134.142 108.795 62.1235 -70.5104 -170.115 41.0004 -43.6611 201.191 PRESSAVG: 1148000 16.8826 -20.4637 4.68581 -20.4637 -11.9488 -8.1032 4.6858 -8.10322 -22.017 GPRESSAVG: 1148000 16.4297 -21.559 6.35519 -20.1689 -11.7357 -6.60214 3.47101 -5.52116 -21.9506 TIMING: 1148000 CPU: 3451.13, 0.00303282/step Wall: 3451.13, 0.00303282/step, 3.24512 hours remaining, 205.449219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1148000 749.0217 2030.7213 1936.9377 114.8026 -206361.7580 17914.2705 0.0000 0.0000 34279.9320 -149336.0720 299.3752 -183616.0041 -149237.6281 299.1096 90.1084 122.7855 556230.2081 -5.6944 -5.7522 PRESSURE: 1148200 -46.0652 44.0763 -16.6957 44.0766 -31.2825 54.2026 -16.6953 54.2016 85.0022 GPRESSURE: 1148200 -23.5255 51.1256 -32.6631 -30.9224 17.2951 15.1889 29.8395 93.1541 136.179 PRESSAVG: 1148200 45.2321 -16.6294 49.2884 -16.6296 -59.8967 44.8693 49.2885 44.8692 7.0841 GPRESSAVG: 1148200 45.3335 -13.817 49.0726 -20.8517 -59.3293 42.1379 48.4656 44.9873 7.40759 TIMING: 1148200 CPU: 3451.73, 0.00303209/step Wall: 3451.73, 0.00303209/step, 3.24416 hours remaining, 205.449219 MB of memory in use. ENERGY: 1148200 761.2426 2091.5555 1932.8221 112.8168 -206192.3489 17870.9187 0.0000 0.0000 34180.5595 -149242.4336 298.5073 -183422.9932 -149150.4058 299.5330 2.5515 43.3164 555864.5765 -2.5268 -2.1961 LDB: ============= START OF LOAD BALANCING ============== 3455.26 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3455.26 LDB: =============== DONE WITH MIGRATION ================ 3455.26 LDB: ============= START OF LOAD BALANCING ============== 3455.56 LDB: Largest compute 4822 load 0.026185 is 22.2% of average load 0.117846 LDB: Average compute 0.001734 is 1.5% of average load 0.117846 LDB: TIME 3455.56 LOAD: AVG 0.117846 MAX 0.214706 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.527 MB LDB: TIME 3455.56 LOAD: AVG 0.117846 MAX 0.214706 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.73 MB LDB: TIME 3455.56 LOAD: AVG 0.117846 MAX 0.214706 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.73 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3455.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3455.57 PRESSURE: 1148400 265.343 269.963 137.981 269.963 82.2431 30.3637 137.981 30.3651 339.502 GPRESSURE: 1148400 259.008 253.914 189.162 222.249 128.281 -32.4766 80.3999 47.4611 406.069 PRESSAVG: 1148400 24.7097 -25.6381 49.3543 -25.638 -79.5007 -33.8923 49.3543 -33.8924 58.0964 GPRESSAVG: 1148400 24.0125 -25.6713 48.0928 -24.417 -80.1739 -33.2464 48.4647 -31.1939 58.9051 TIMING: 1148400 CPU: 3452.35, 0.0030962/step Wall: 3452.35, 0.0030962/step, 3.31259 hours remaining, 207.875000 MB of memory in use. ENERGY: 1148400 712.3545 2058.8533 1933.8448 128.5716 -206810.5928 18219.5370 0.0000 0.0000 34268.6627 -149488.7690 299.2768 -183757.4317 -149391.3937 298.9990 229.0294 264.4528 556312.8740 1.1018 0.9146 PRESSURE: 1148600 -134.573 -86.8144 -131.572 -86.8138 -3.56012 10.3148 -131.572 10.3163 -42.0398 GPRESSURE: 1148600 -112.104 -54.5669 -71.0966 -140.406 47.5818 13.2762 -158.202 -3.41395 -9.83008 PRESSAVG: 1148600 3.63316 -39.1057 17.4758 -39.1057 -1.93469 -28.7833 17.4758 -28.7832 -4.32972 GPRESSAVG: 1148600 3.90257 -40.1201 17.3619 -38.2697 -1.9892 -27.3035 20.1169 -30.5828 -3.81574 TIMING: 1148600 CPU: 3452.96, 0.00301723/step Wall: 3452.96, 0.00301723/step, 3.22793 hours remaining, 207.875000 MB of memory in use. ENERGY: 1148600 745.0595 2095.1548 1916.9607 110.7146 -206224.7470 17677.2427 0.0000 0.0000 34040.9846 -149638.6302 297.2884 -183679.6148 -149546.9482 298.4387 -60.0576 -24.7841 555782.5764 -0.8771 -0.6341 PRESSURE: 1148800 -59.9687 -84.975 179.332 -84.9747 55.252 -10.7911 179.331 -10.7918 87.0069 GPRESSURE: 1148800 -22.1829 -18.7573 64.485 11.2949 130.114 -30.8273 97.291 2.7868 63.0865 PRESSAVG: 1148800 6.41745 17.4015 -88.6485 17.4015 -25.6347 7.76857 -88.6484 7.76867 33.3664 GPRESSAVG: 1148800 5.88283 18.2509 -89.2667 16.3535 -24.7389 5.55255 -89.5251 7.04137 33.2384 TIMING: 1148800 CPU: 3453.57, 0.00305245/step Wall: 3453.57, 0.00305245/step, 3.26544 hours remaining, 207.875000 MB of memory in use. ENERGY: 1148800 744.8019 2077.8075 1938.2594 119.0037 -206786.5096 17976.6960 0.0000 0.0000 34200.9052 -149729.0358 298.6850 -183929.9410 -149635.2859 297.9828 27.4301 57.0059 556062.6948 4.7164 4.7941 PRESSURE: 1149000 66.6311 26.2887 -19.6862 26.2882 176.174 -87.5001 -19.6863 -87.4991 -46.3122 GPRESSURE: 1149000 75.4314 10.8378 -63.3014 73.1608 167.208 -181.774 -23.6635 -121.465 45.5428 PRESSAVG: 1149000 -25.1536 49.9183 -27.0134 49.9183 34.9332 10.3362 -27.0133 10.3361 -46.1088 GPRESSAVG: 1149000 -24.1213 48.0247 -26.4259 51.1891 34.8505 9.58491 -28.2832 11.8265 -46.5958 TIMING: 1149000 CPU: 3454.18, 0.0030799/step Wall: 3454.18, 0.0030799/step, 3.29464 hours remaining, 207.875000 MB of memory in use. ENERGY: 1149000 744.4369 2076.2841 1950.3110 99.5294 -206696.4315 17993.5691 0.0000 0.0000 34245.6049 -149586.6961 299.0754 -183832.3010 -149490.1103 298.1316 65.4976 96.0608 556640.0532 -12.1097 -11.9555 PRESSURE: 1149200 91.8841 33.8574 13.19 33.8579 351.95 -58.017 13.1918 -58.0186 -101.404 GPRESSURE: 1149200 100.204 -0.754676 15.4603 37.6617 391.917 -36.5431 -51.9316 -36.5492 -36.4621 PRESSAVG: 1149200 35.2481 52.4013 22.6379 52.4013 35.4888 -17.7029 22.638 -17.7029 -37.4676 GPRESSAVG: 1149200 35.434 52.1342 23.0474 52.0278 34.7757 -14.9582 24.508 -19.0764 -36.5545 TIMING: 1149200 CPU: 3454.8, 0.00306532/step Wall: 3454.8, 0.00306532/step, 3.27887 hours remaining, 207.875000 MB of memory in use. ENERGY: 1149200 763.7494 2055.5538 1935.3031 112.7281 -206698.0930 18099.4622 0.0000 0.0000 34322.4194 -149408.8770 299.7462 -183731.2963 -149314.9220 299.5896 114.1436 151.8864 556668.2778 11.0898 11.2184 PRESSURE: 1149400 171.124 -155.988 -71.7413 -155.987 204.553 100.025 -71.7414 100.025 254.671 GPRESSURE: 1149400 154.465 -269.307 -81.1536 -103.261 266.986 61.4584 -19.8265 76.8571 302.16 PRESSAVG: 1149400 -35.4034 -0.285151 -26.3301 -0.285101 -14.6814 -45.7638 -26.3301 -45.7636 68.2216 GPRESSAVG: 1149400 -35.5607 0.202976 -27.8175 -0.348159 -13.9435 -47.7024 -27.0106 -44.8387 67.9167 TIMING: 1149400 CPU: 3455.41, 0.00305297/step Wall: 3455.41, 0.00305297/step, 3.26549 hours remaining, 207.875000 MB of memory in use. ENERGY: 1149400 741.0974 2068.1363 1941.4166 118.6902 -207084.3747 18514.5235 0.0000 0.0000 34316.5168 -149383.9939 299.6947 -183700.5107 -149293.5885 298.7154 210.1162 241.2035 558339.3376 6.0456 6.1375 PRESSURE: 1149600 22.561 18.6527 44.5517 18.6529 68.7911 -137.007 44.5525 -137.007 36.5925 GPRESSURE: 1149600 45.7083 34.1476 72.95 53.6714 121.685 -239.729 18.643 -71.6387 57.2209 PRESSAVG: 1149600 -83.1105 -46.8848 -12.2612 -46.8849 19.6209 -13.4235 -12.2613 -13.4234 45.5693 GPRESSAVG: 1149600 -83.1855 -45.369 -12.4974 -48.2263 20.385 -11.2366 -12.2747 -14.2273 45.4145 TIMING: 1149600 CPU: 3456.01, 0.00302862/step Wall: 3456.01, 0.00302862/step, 3.23928 hours remaining, 207.875000 MB of memory in use. ENERGY: 1149600 710.9461 2116.8191 1926.5879 124.0932 -206599.1974 18027.7320 0.0000 0.0000 34252.3756 -149440.6435 299.1345 -183693.0191 -149349.0563 298.9957 42.6482 74.8715 556960.3188 -5.9734 -5.7953 PRESSURE: 1149800 240.221 -17.8605 128.379 -17.8617 -113.876 -34.5762 128.379 -34.576 89.7029 GPRESSURE: 1149800 257.081 -9.46998 82.4372 -1.59833 -63.2524 -31.3398 64.4069 -100.086 115.021 PRESSAVG: 1149800 -13.4976 26.7024 17.3919 26.7023 -6.81024 16.2202 17.3919 16.2202 9.93016 GPRESSAVG: 1149800 -13.2652 24.1446 17.5616 29.2112 -6.72756 14.8285 17.5567 18.5126 9.76152 TIMING: 1149800 CPU: 3456.62, 0.00304494/step Wall: 3456.62, 0.00304494/step, 3.25656 hours remaining, 207.875000 MB of memory in use. ENERGY: 1149800 738.8230 2034.1643 1920.3761 116.3022 -206222.4917 17917.7002 0.0000 0.0000 34203.6299 -149291.4959 298.7088 -183495.1258 -149198.4037 298.8708 72.0158 102.9499 556519.5746 -3.4592 -3.4104 PRESSURE: 1150000 -84.9541 56.3248 -17.1428 56.3264 -66.5377 -75.7943 -17.1436 -75.7936 -102.883 GPRESSURE: 1150000 -126.562 77.5926 9.98141 -2.33539 35.799 -115.388 -98.014 -182.047 -57.1336 PRESSAVG: 1150000 -33.0686 49.9638 -52.7811 49.9638 7.68575 -41.9316 -52.7811 -41.9315 4.4866 GPRESSAVG: 1150000 -33.196 51.1981 -51.8173 49.7557 6.82965 -40.899 -53.509 -44.0472 5.70755 TIMING: 1150000 CPU: 3457.23, 0.00305853/step Wall: 3457.23, 0.00305853/step, 3.27093 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: 1150000 790.0241 2110.8620 1915.6463 109.1537 -205934.6969 17625.5523 0.0000 0.0000 34247.7168 -149135.7417 299.0938 -183383.4585 -149048.5342 299.0226 -84.7917 -49.2989 556945.4650 -6.9654 -6.8863 PRESSURE: 1150200 -263.403 -13.8545 62.9208 -13.8551 109.805 44.8341 62.9202 44.8354 117.419 GPRESSURE: 1150200 -177.331 19.8037 17.634 -40.2942 129.66 -33.1999 54.2268 20.2618 110.836 PRESSAVG: 1150200 15.1698 51.3845 -7.45678 51.3845 -9.19519 0.726273 -7.45677 0.72628 -6.91629 GPRESSAVG: 1150200 15.1097 51.2013 -6.3533 51.5891 -8.25236 -1.37841 -7.16734 1.05159 -8.01406 TIMING: 1150200 CPU: 3457.84, 0.00304212/step Wall: 3457.84, 0.00304212/step, 3.25321 hours remaining, 207.875000 MB of memory in use. ENERGY: 1150200 732.0844 2084.5539 1956.3891 104.2813 -206077.0646 17687.8663 0.0000 0.0000 34540.9885 -148970.9010 301.6550 -183511.8895 -148878.3128 299.9804 -12.0599 21.0550 557184.4701 -0.3139 -0.3856 PRESSURE: 1150400 -116.2 138.598 50.8942 138.599 145.62 -20.4938 50.896 -20.4941 101.511 GPRESSURE: 1150400 -117.758 180.971 23.9014 143.578 195.288 8.90743 85.1362 -26.6987 139.265 PRESSAVG: 1150400 -48.1033 -7.21035 30.9802 -7.21039 14.8287 0.438419 30.9802 0.438443 26.3935 GPRESSAVG: 1150400 -48.572 -8.23057 30.5043 -6.83519 14.4558 1.25464 30.8337 1.81166 26.6656 TIMING: 1150400 CPU: 3458.45, 0.00303224/step Wall: 3458.45, 0.00303224/step, 3.24248 hours remaining, 207.875000 MB of memory in use. ENERGY: 1150400 734.5375 2087.0502 1902.8310 107.2174 -206060.6059 17861.3788 0.0000 0.0000 34459.9115 -148907.6795 300.9470 -183367.5910 -148813.4080 299.8055 43.6435 72.2649 556625.7345 -2.2937 -2.4835 PRESSURE: 1150600 -55.4343 -74.0739 77.4145 -74.0731 133.567 208.397 77.4147 208.399 62.7288 GPRESSURE: 1150600 -15.9258 -16.9611 124.596 -74.1514 182.156 211.528 93.6875 164.631 62.9568 PRESSAVG: 1150600 -9.39512 5.29112 -48.4437 5.29115 39.7194 -33.4483 -48.4437 -33.4483 3.3921 GPRESSAVG: 1150600 -7.74692 7.24916 -48.4357 5.17605 38.1058 -31.2952 -48.3452 -34.8907 3.8578 TIMING: 1150600 CPU: 3459.06, 0.00304703/step Wall: 3459.06, 0.00304703/step, 3.25812 hours remaining, 207.875000 MB of memory in use. ENERGY: 1150600 727.8395 2104.1004 1901.8628 115.1319 -205827.6987 17936.2735 0.0000 0.0000 34068.1900 -148974.3006 297.5260 -183042.4905 -148872.2168 300.0107 46.9540 76.3958 558806.0107 11.2388 11.4056 PRESSURE: 1150800 -159.239 9.16325 -98.8534 9.1618 -136.484 78.2828 -98.8536 78.2855 -291.071 GPRESSURE: 1150800 -142.589 -28.6687 -211.918 -6.84123 -58.4423 31.9514 -134.265 168.336 -292.658 PRESSAVG: 1150800 53.4995 -47.2692 -44.4501 -47.2692 -27.0138 9.8159 -44.4501 9.81596 -17.433 GPRESSAVG: 1150800 53.5714 -47.6855 -43.9626 -48.4664 -26.8071 8.24127 -45.9194 11.2378 -17.9793 TIMING: 1150800 CPU: 3459.66, 0.00304043/step Wall: 3459.66, 0.00304043/step, 3.25089 hours remaining, 207.875000 MB of memory in use. ENERGY: 1150800 758.8397 2098.7894 1926.7036 110.1215 -205844.8250 17634.9654 0.0000 0.0000 34283.3212 -149032.0844 299.4048 -183315.4056 -148936.2187 299.4627 -195.5980 -164.5633 559516.3245 3.0176 2.9283 PRESSURE: 1151000 -58.9947 -35.099 -106.199 -35.0993 -150.309 -47.7774 -106.2 -47.7782 35.8472 GPRESSURE: 1151000 13.4359 31.6841 -3.54473 -48.4576 -198.125 26.3275 -112.144 -72.0085 113.964 PRESSAVG: 1151000 -1.34606 2.05467 -49.857 2.05463 -28.3942 3.12042 -49.8571 3.12048 57.0341 GPRESSAVG: 1151000 -2.06568 4.43311 -50.043 1.19691 -27.6576 5.14715 -48.9242 1.75467 57.1129 TIMING: 1151000 CPU: 3460.28, 0.00307163/step Wall: 3460.28, 0.00307163/step, 3.28409 hours remaining, 207.875000 MB of memory in use. ENERGY: 1151000 753.7318 2103.0527 1937.1957 108.4226 -206227.9990 17847.1365 0.0000 0.0000 34217.5928 -149260.8669 298.8307 -183478.4597 -149174.1532 299.1612 -57.8188 -23.5751 558695.7090 9.0980 9.1299 PRESSURE: 1151200 -59.6982 -136.503 13.1071 -136.503 18.7523 111.709 13.1076 111.709 110.495 GPRESSURE: 1151200 8.23445 -71.1278 29.0105 -227.283 19.9081 112.916 9.01916 102.493 155.316 PRESSAVG: 1151200 -10.9079 -52.6974 -50.299 -52.6974 -47.392 -35.133 -50.299 -35.1329 12.3548 GPRESSAVG: 1151200 -12.5996 -54.6363 -50.3527 -52.6009 -47.238 -36.3814 -50.2359 -36.9902 13.4764 TIMING: 1151200 CPU: 3460.88, 0.00302913/step Wall: 3460.88, 0.00302913/step, 3.23848 hours remaining, 207.875000 MB of memory in use. ENERGY: 1151200 727.6801 2059.2008 1937.6486 115.9782 -206419.1446 17939.8519 0.0000 0.0000 34250.7836 -149388.0014 299.1206 -183638.7851 -149296.3941 299.3699 23.1832 61.1528 557292.3040 -15.3150 -15.4537 PRESSURE: 1151400 303.546 -22.6447 39.0459 -22.6445 -96.2757 -19.8973 39.0469 -19.8971 8.32573 GPRESSURE: 1151400 318.64 -23.9668 -1.90633 -91.1677 -8.11175 -71.4479 82.1262 -28.1686 15.0072 PRESSAVG: 1151400 38.3123 11.507 16.3107 11.507 -52.193 33.8126 16.3107 33.8126 -1.96952 GPRESSAVG: 1151400 40.5593 12.2184 16.5604 11.2873 -52.3171 31.6608 17.0489 37.5191 -3.67124 TIMING: 1151400 CPU: 3461.49, 0.00300403/step Wall: 3461.49, 0.00300403/step, 3.21147 hours remaining, 207.875000 MB of memory in use. ENERGY: 1151400 736.3057 2094.0601 1934.1693 118.4453 -206508.6008 17972.8798 0.0000 0.0000 34221.7371 -149431.0036 298.8669 -183652.7407 -149333.8166 298.4722 71.8653 108.5118 557599.4833 -5.2834 -5.1430 PRESSURE: 1151600 -32.029 -18.3157 59.8096 -18.3138 -6.66639 -15.3959 59.81 -15.3966 175.691 GPRESSURE: 1151600 -32.6458 -10.4461 -12.1519 13.5498 92.8045 -64.9306 59.1679 -10.425 176.617 PRESSAVG: 1151600 -23.9226 30.3678 15.3543 30.3678 -0.110442 10.8938 15.3543 10.8939 17.5063 GPRESSAVG: 1151600 -25.5681 29.0017 13.5959 30.9665 1.14512 9.8934 15.1855 9.22833 17.856 TIMING: 1151600 CPU: 3462.09, 0.00304401/step Wall: 3462.09, 0.00304401/step, 3.25405 hours remaining, 207.875000 MB of memory in use. ENERGY: 1151600 762.3802 2039.8933 1923.9979 110.0022 -206369.9989 17891.5433 0.0000 0.0000 34099.8146 -149542.3674 297.8022 -183642.1820 -149445.7284 298.1219 45.6653 78.9253 557557.5363 -2.1756 -2.1890 PRESSURE: 1151800 -186.994 98.4319 -24.2059 98.4342 -195.244 -98.2778 -24.2051 -98.2793 375.269 GPRESSURE: 1151800 -164.638 31.8129 -10.5925 113.924 -141.789 -61.7631 -58.1284 -186.255 403.704 PRESSAVG: 1151800 29.8743 34.2189 48.3324 34.2188 -73.8906 12.5006 48.3325 12.5007 48.8785 GPRESSAVG: 1151800 31.2953 33.9945 49.0493 34.9086 -74.9467 17.6668 46.9165 11.154 48.2467 TIMING: 1151800 CPU: 3462.7, 0.00302203/step Wall: 3462.7, 0.00302203/step, 3.23038 hours remaining, 207.875000 MB of memory in use. ENERGY: 1151800 754.0582 2052.7980 1966.0760 121.4826 -206024.8326 17597.1030 0.0000 0.0000 34230.6389 -149302.6760 298.9447 -183533.3148 -149210.4187 297.7382 -2.3228 32.4259 556723.3688 1.6207 1.5318 PRESSURE: 1152000 112.118 23.6961 -145.32 23.6958 222.19 67.9289 -145.32 67.9294 41.9921 GPRESSURE: 1152000 168.764 13.2064 -161.817 -109.264 211.125 24.9249 -128.351 155.851 80.7282 PRESSAVG: 1152000 -22.3798 28.1316 2.52616 28.1317 -1.53581 -21.8602 2.5261 -21.8603 6.12264 GPRESSAVG: 1152000 -23.0486 29.8034 2.97819 26.083 -1.50866 -24.109 4.92485 -18.6891 6.59067 TIMING: 1152000 CPU: 3463.3, 0.00302766/step Wall: 3463.3, 0.00302766/step, 3.23623 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: 1152000 690.2536 2064.4924 1925.5298 112.5481 -206145.1991 17848.5518 0.0000 0.0000 34462.8261 -149040.9973 300.9724 -183503.8234 -148948.7612 299.1707 125.4334 153.5391 557219.5757 -5.9310 -5.9889 PRESSURE: 1152200 -27.0048 -86.4777 -85.5251 -86.4776 -235.855 165.687 -85.5252 165.686 -140.802 GPRESSURE: 1152200 16.1879 -68.4727 -52.2602 -184.592 -199.051 289.012 -100.551 72.9795 -118.152 PRESSAVG: 1152200 -1.04833 10.4657 26.8393 10.4657 -17.8228 12.6129 26.8393 12.613 27.726 GPRESSAVG: 1152200 -1.54392 8.79816 27.5082 11.6355 -17.4496 12.0897 25.2345 8.97129 28.2652 TIMING: 1152200 CPU: 3463.91, 0.00302753/step Wall: 3463.91, 0.00302753/step, 3.23593 hours remaining, 207.875000 MB of memory in use. ENERGY: 1152200 765.3207 2046.1030 1946.4846 112.1130 -206020.7143 17815.1247 0.0000 0.0000 34243.7592 -149091.8092 299.0593 -183335.5684 -149005.3421 299.8476 -134.5540 -100.3385 558208.6676 2.9516 3.0906 LDB: ============= START OF LOAD BALANCING ============== 3467.43 LDB: ============== END OF LOAD BALANCING =============== 3467.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3467.43 LDB: ============= START OF LOAD BALANCING ============== 3467.73 LDB: Largest compute 4822 load 0.025386 is 21.5% of average load 0.117878 LDB: Average compute 0.001730 is 1.5% of average load 0.117878 LDB: TIME 3467.74 LOAD: AVG 0.117878 MAX 0.217418 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.84 MB LDB: TIME 3467.74 LOAD: AVG 0.117878 MAX 0.217418 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.84 MB LDB: TIME 3467.74 LOAD: AVG 0.117878 MAX 0.217418 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.84 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3467.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3467.74 PRESSURE: 1152400 197.667 104.251 27.853 104.249 54.7851 -5.90764 27.8535 -5.90752 127.498 GPRESSURE: 1152400 273.538 35.2165 47.3333 150.11 102.022 -39.5237 22.8892 -6.15802 103.445 PRESSAVG: 1152400 16.5495 50.8926 11.1495 50.8927 -3.92202 101.552 11.1495 101.552 -21.4418 GPRESSAVG: 1152400 18.6119 49.5281 8.9905 51.7798 -4.59872 102.576 12.3143 103.215 -22.3028 TIMING: 1152400 CPU: 3464.53, 0.00308499/step Wall: 3464.53, 0.00308499/step, 3.29717 hours remaining, 207.843750 MB of memory in use. ENERGY: 1152400 709.2212 2027.9492 1923.8347 106.6991 -205783.3620 17825.6887 0.0000 0.0000 34115.6757 -149074.2934 297.9407 -183189.9691 -148977.2485 299.0474 126.6502 159.6683 557726.8189 -2.9381 -2.7632 PRESSURE: 1152600 -395.167 -30.0313 172.037 -30.0316 -32.7503 -37.6855 172.039 -37.6848 -23.5525 GPRESSURE: 1152600 -409.428 27.0597 93.7651 -59.5274 20.3278 67.851 213.963 -114.666 38.3559 PRESSAVG: 1152600 -46.3825 -7.65201 60.2826 -7.65213 58.677 0.833712 60.2827 0.833709 1.88324 GPRESSAVG: 1152600 -47.4652 -4.74195 61.9751 -10.7665 59.098 1.59743 59.4297 0.0514344 2.13745 TIMING: 1152600 CPU: 3465.13, 0.00300663/step Wall: 3465.13, 0.00300663/step, 3.21326 hours remaining, 208.046875 MB of memory in use. ENERGY: 1152600 742.2732 2065.8363 1937.6182 113.7280 -205511.8448 17336.9841 0.0000 0.0000 34170.7215 -149144.6836 298.4214 -183315.4051 -149044.6389 298.8740 -150.4898 -116.9147 557455.8417 4.7259 4.5901 PRESSURE: 1152800 -77.0005 143.697 18.8544 143.695 -263.122 83.744 18.8542 83.744 -179.091 GPRESSURE: 1152800 -38.8942 130.399 -14.8895 127.41 -219.697 -10.29 57.3052 144.661 -157.25 PRESSAVG: 1152800 45.754 0.509751 -11.5532 0.509693 16.501 38.1127 -11.5531 38.1126 -66.8132 GPRESSAVG: 1152800 45.1402 0.83613 -11.0454 4.1746 16.6959 38.695 -12.1637 37.6789 -66.6848 TIMING: 1152800 CPU: 3465.73, 0.00302504/step Wall: 3465.73, 0.00302504/step, 3.23276 hours remaining, 208.046875 MB of memory in use. ENERGY: 1152800 759.8711 2064.7329 1911.1609 114.5050 -206088.5927 17728.3075 0.0000 0.0000 34474.9287 -149035.0866 301.0781 -183510.0153 -148938.0225 299.8231 -173.0711 -138.6134 557098.3860 -1.5194 -1.6162 PRESSURE: 1153000 -111.669 -13.3062 75.9696 -13.3074 126.597 133.585 75.9702 133.585 -22.2843 GPRESSURE: 1153000 -93.2979 47.5014 93.8456 -117.721 169.058 117.514 44.7099 90.8278 7.98508 PRESSAVG: 1153000 24.2123 -12.8138 -1.98049 -12.8138 -58.1947 38.5108 -1.98046 38.5107 -4.49694 GPRESSAVG: 1153000 25.6278 -14.6464 -0.581226 -13.3253 -60.0428 35.703 -3.63592 40.6711 -4.01486 TIMING: 1153000 CPU: 3466.34, 0.00303903/step Wall: 3466.34, 0.00303903/step, 3.24754 hours remaining, 208.046875 MB of memory in use. ENERGY: 1153000 740.6315 2047.8292 1934.2437 122.2625 -206133.3353 17799.6868 0.0000 0.0000 34339.4295 -149149.2520 299.8948 -183488.6814 -149050.1584 300.2223 -2.4522 27.9152 557851.1994 -12.8264 -12.8099 PRESSURE: 1153200 -111.849 -1.9255 121.769 -1.92628 103.97 -90.3308 121.768 -90.3312 223.276 GPRESSURE: 1153200 -59.0961 33.2344 76.0568 0.435894 153.825 -36.7751 133.497 -106.681 228.219 PRESSAVG: 1153200 -67.4115 -76.1295 40.0205 -76.1295 60.2848 -4.86404 40.0204 -4.86404 56.6035 GPRESSAVG: 1153200 -68.2616 -77.4098 38.0049 -77.8559 61.6419 -2.92962 40.9701 -6.98405 55.5713 TIMING: 1153200 CPU: 3466.95, 0.00304434/step Wall: 3466.95, 0.00304434/step, 3.25305 hours remaining, 208.046875 MB of memory in use. ENERGY: 1153200 754.2664 2139.5377 1936.7385 118.0634 -206291.1240 17953.6139 0.0000 0.0000 34243.4522 -149145.4519 299.0566 -183388.9041 -149048.9460 299.4998 71.7993 107.6492 558510.6790 16.4923 16.3172 PRESSURE: 1153400 -102.942 112.424 -16.8058 112.424 52.6196 -18.4363 -16.8071 -18.434 -111.896 GPRESSURE: 1153400 -14.9309 277.128 -114.141 97.9465 34.2557 50.8227 39.5296 -32.9626 -88.29 PRESSAVG: 1153400 35.8492 -16.4056 -15.3883 -16.4056 68.3392 1.60616 -15.3884 1.60616 -55.8155 GPRESSAVG: 1153400 35.6987 -15.2606 -13.7056 -15.5948 67.8962 2.53978 -16.6687 2.24533 -55.6111 TIMING: 1153400 CPU: 3467.56, 0.00303484/step Wall: 3467.56, 0.00303484/step, 3.24273 hours remaining, 208.046875 MB of memory in use. ENERGY: 1153400 732.7694 2057.4690 1924.1201 106.9585 -206254.6125 17941.3165 0.0000 0.0000 34361.1589 -149130.8201 300.0845 -183491.9790 -149033.0995 299.8414 -54.0726 -22.9884 557965.1449 16.1243 15.9946 PRESSURE: 1153600 -187.839 25.7719 -58.069 25.7734 -59.5516 118.496 -58.0693 118.497 -165.444 GPRESSURE: 1153600 -186.608 -6.0385 -79.7988 83.5762 -48.3651 40.2915 -64.7677 130.158 -70.7925 PRESSAVG: 1153600 10.2318 2.64312 36.3395 2.64315 19.4652 22.2995 36.3395 22.2995 -42.4094 GPRESSAVG: 1153600 9.75863 4.69429 36.8472 0.780628 21.048 21.437 37.6149 22.6876 -43.1298 TIMING: 1153600 CPU: 3468.16, 0.00303027/step Wall: 3468.16, 0.00303027/step, 3.23767 hours remaining, 208.046875 MB of memory in use. ENERGY: 1153600 718.4447 2160.6401 1919.2381 116.1407 -205918.4327 17567.2147 0.0000 0.0000 34230.2684 -149206.4860 298.9414 -183436.7544 -149114.5971 299.5281 -137.6116 -101.9218 557451.1548 -4.2374 -4.1077 PRESSURE: 1153800 -145.095 -45.7445 -151.922 -45.7446 -45.9864 46.5519 -151.922 46.5521 1.3968 GPRESSURE: 1153800 -68.8312 -117.062 -136.893 -64.8848 -9.25474 18.9998 -23.8353 -40.8589 -6.53012 PRESSAVG: 1153800 38.9417 -5.34213 20.3368 -5.34219 -26.0601 54.1646 20.3367 54.1647 -16.1997 GPRESSAVG: 1153800 39.472 -6.86503 18.6114 -3.86428 -27.5665 53.6579 22.2347 52.9849 -14.6084 TIMING: 1153800 CPU: 3468.77, 0.00304505/step Wall: 3468.77, 0.00304505/step, 3.2533 hours remaining, 208.046875 MB of memory in use. ENERGY: 1153800 784.3024 2071.4161 1944.9598 117.8085 -206068.6484 17700.2376 0.0000 0.0000 34476.5268 -148973.3972 301.0921 -183449.9240 -148869.8886 300.0727 -63.2281 -28.2053 558032.8641 -1.1060 -0.9010 PRESSURE: 1154000 -120.736 68.3371 -145.921 68.3363 -74.6729 6.68143 -145.923 6.68076 -207.837 GPRESSURE: 1154000 -124.71 81.0325 -108.459 30.1752 -12.4875 -56.0221 -133.673 4.12832 -169.121 PRESSAVG: 1154000 -3.19416 10.5095 25.6054 10.5095 -6.2133 2.0758 25.6054 2.07577 -19.5541 GPRESSAVG: 1154000 -3.09124 10.2763 24.7543 8.50837 -5.52173 3.08212 25.5311 1.44726 -20.3948 TIMING: 1154000 CPU: 3469.39, 0.00307711/step Wall: 3469.39, 0.00307711/step, 3.28738 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: 1154000 755.8334 2123.8490 1939.4329 109.6707 -206101.0758 17685.8685 0.0000 0.0000 34335.1323 -149151.2891 299.8572 -183486.4214 -149056.6635 299.8276 -134.4154 -102.1063 557959.1387 -9.6538 -9.6693 PRESSURE: 1154200 25.4446 -64.6761 -106.169 -64.6757 227.493 130.747 -106.168 130.749 80.3263 GPRESSURE: 1154200 54.7974 -98.3107 -29.441 -66.5592 260.538 158.659 -155.25 165.023 125.885 PRESSAVG: 1154200 17.3941 -6.88546 -4.67936 -6.88548 29.6265 48.1096 -4.67944 48.1096 -23.3816 GPRESSAVG: 1154200 18.4144 -7.6051 -2.30829 -4.40954 28.8406 46.6507 -5.86358 50.0663 -23.5086 TIMING: 1154200 CPU: 3470, 0.00304412/step Wall: 3470, 0.00304412/step, 3.25197 hours remaining, 208.046875 MB of memory in use. ENERGY: 1154200 727.9687 2060.7476 1942.5335 109.8186 -206464.2195 18020.8444 0.0000 0.0000 34176.9152 -149425.3915 298.4755 -183602.3067 -149327.9521 298.8834 111.0880 147.0735 556625.3888 7.8797 7.9155 PRESSURE: 1154400 -86.3681 145.401 -91.4008 145.401 -98.4477 82.4399 -91.4017 82.4386 -47.8447 GPRESSURE: 1154400 -33.5476 202.349 -50.3324 145.777 -30.9689 3.21253 -46.9102 42.7378 -53.0819 PRESSAVG: 1154400 -4.46989 28.461 62.9868 28.461 17.0746 27.5764 62.987 27.5764 0.79853 GPRESSAVG: 1154400 -4.54377 28.9172 61.284 26.9135 17.6157 27.3619 64.2336 28.0372 0.665428 TIMING: 1154400 CPU: 3470.61, 0.00307853/step Wall: 3470.61, 0.00307853/step, 3.28855 hours remaining, 208.046875 MB of memory in use. ENERGY: 1154400 775.3223 2088.2722 1944.4277 111.3303 -206170.0833 17760.7549 0.0000 0.0000 33993.0911 -149496.8849 296.8701 -183489.9760 -149401.3828 298.4545 -77.5535 -39.1995 558063.2189 4.4677 4.5791 PRESSURE: 1154600 -204.928 51.9526 15.2063 51.9536 -222.509 65.5583 15.2068 65.5584 -133.525 GPRESSURE: 1154600 -97.505 19.7627 94.3623 103.857 -248.419 64.0368 -47.3847 96.3368 -127.029 PRESSAVG: 1154600 13.5355 23.2752 32.378 23.2752 -13.6991 18.6872 32.3781 18.6872 -57.6538 GPRESSAVG: 1154600 12.9541 22.4987 33.4507 24.8119 -13.6832 20.5084 29.0138 16.9464 -57.0499 TIMING: 1154600 CPU: 3471.22, 0.00304258/step Wall: 3471.22, 0.00304258/step, 3.24999 hours remaining, 208.046875 MB of memory in use. ENERGY: 1154600 738.8881 2061.3184 1949.8072 112.7724 -205960.1253 17550.0121 0.0000 0.0000 34103.1436 -149444.1834 297.8312 -183547.3270 -149348.8703 298.4384 -186.9874 -157.6509 558724.6601 -19.2725 -19.2597 PRESSURE: 1154800 -12.7506 1.19798 42.3733 1.19823 -205.084 48.8476 42.373 48.8496 43.8934 GPRESSURE: 1154800 46.657 -2.99401 63.7229 -3.61471 -196.697 41.4044 87.1313 58.6429 62.1473 PRESSAVG: 1154800 -44.6609 -22.0315 13.8834 -22.0315 -53.7654 -24.392 13.8834 -24.392 62.2511 GPRESSAVG: 1154800 -43.7817 -24.6817 11.7914 -21.7595 -54.2524 -25.6545 17.4047 -23.9229 61.3631 TIMING: 1154800 CPU: 3471.83, 0.00305261/step Wall: 3471.83, 0.00305261/step, 3.26053 hours remaining, 208.046875 MB of memory in use. ENERGY: 1154800 711.8735 2157.2965 1947.4044 113.3680 -206767.0734 17924.5636 0.0000 0.0000 34155.7033 -149756.8641 298.2903 -183912.5674 -149667.9564 298.2007 -57.9803 -29.2974 558089.2629 -12.0584 -12.2237 PRESSURE: 1155000 -150.716 -76.0946 -9.88858 -76.0949 161.531 -8.34655 -9.88982 -8.34621 281.442 GPRESSURE: 1155000 -175.167 -79.9685 56.6979 -60.5749 151.441 -64.671 -4.64387 87.1549 398.023 PRESSAVG: 1155000 -0.737172 -3.21909 -3.58987 -3.21901 -75.7593 45.2595 -3.58985 45.2595 87.6664 GPRESSAVG: 1155000 -1.21154 -0.49017 -1.52288 -3.79315 -77.0011 46.6047 -5.14886 45.7428 89.1233 TIMING: 1155000 CPU: 3472.44, 0.00304332/step Wall: 3472.44, 0.00304332/step, 3.25043 hours remaining, 208.046875 MB of memory in use. ENERGY: 1155000 722.2107 2111.9133 1948.0350 110.1916 -206819.1287 18094.1962 0.0000 0.0000 34046.4652 -149786.1167 297.3362 -183832.5819 -149696.2236 298.3062 97.4192 124.7658 557215.7495 3.7233 3.6369 PRESSURE: 1155200 292.881 -4.04069 160.363 -4.03869 83.8781 -34.2636 160.363 -34.2652 270.553 GPRESSURE: 1155200 289.92 -10.9301 120.997 6.37445 160.696 -4.59556 104.067 -29.3717 301.419 PRESSAVG: 1155200 -72.7467 -0.266268 1.71971 -0.266335 25.0396 -53.3062 1.71976 -53.3061 20.1397 GPRESSAVG: 1155200 -72.3873 0.966187 0.482258 -0.459438 26.6263 -55.6469 2.72929 -53.3379 18.9254 TIMING: 1155200 CPU: 3473.05, 0.00304942/step Wall: 3473.05, 0.00304942/step, 3.25678 hours remaining, 208.046875 MB of memory in use. ENERGY: 1155200 722.8123 2097.1695 1944.0185 116.6433 -206557.5940 18123.9551 0.0000 0.0000 33922.8511 -149630.1441 296.2567 -183552.9952 -149529.9236 297.2772 215.7706 250.6783 558182.3536 -9.1891 -8.9452 PRESSURE: 1155400 -255.724 -48.5854 83.9028 -48.585 -214.343 -27.6318 83.9046 -27.6319 178.374 GPRESSURE: 1155400 -197.738 -101.639 76.3022 -60.1149 -173.078 -19.9707 80.1028 -67.9579 169.975 PRESSAVG: 1155400 9.28848 -34.7489 -19.166 -34.749 -61.2584 25.4252 -19.1659 25.4251 29.7482 GPRESSAVG: 1155400 9.30612 -37.2857 -18.6443 -33.7017 -61.534 27.4935 -21.3906 24.7554 29.7976 TIMING: 1155400 CPU: 3473.66, 0.0030737/step Wall: 3473.66, 0.0030737/step, 3.28254 hours remaining, 208.046875 MB of memory in use. ENERGY: 1155400 768.7598 2073.4571 1938.3402 118.9200 -206311.4820 17701.9545 0.0000 0.0000 34147.2706 -149562.7797 298.2166 -183710.0503 -149467.3151 297.8241 -97.2311 -66.9471 557478.3006 -7.4073 -7.4768 PRESSURE: 1155600 -160.082 -8.08692 26.8676 -8.08625 -250.84 120.807 26.8661 120.809 134.609 GPRESSURE: 1155600 -84.9252 -48.6998 22.3907 9.01514 -219.253 41.8602 28.944 53.3296 115.055 PRESSAVG: 1155600 -22.6186 -49.9031 4.60145 -49.9031 -1.49353 -4.10256 4.60154 -4.10273 15.3129 GPRESSAVG: 1155600 -22.6723 -50.352 3.92623 -49.4144 -1.23963 -7.08917 4.86467 -1.85559 14.7808 TIMING: 1155600 CPU: 3474.27, 0.00303703/step Wall: 3474.27, 0.00303703/step, 3.24321 hours remaining, 208.046875 MB of memory in use. ENERGY: 1155600 750.4251 2123.4610 1951.4838 127.2411 -206670.8262 17842.2650 0.0000 0.0000 34341.5750 -149534.3752 299.9135 -183875.9502 -149440.1550 298.3723 -92.1044 -63.0412 557624.7085 -2.9331 -3.0437 PRESSURE: 1155800 108.307 96.4648 -144.515 96.4669 -117.675 7.01624 -144.514 7.01637 -124.887 GPRESSURE: 1155800 125.906 108.211 -149.763 105.669 -28.5829 -5.38151 -58.5018 158.26 -115.75 PRESSAVG: 1155800 22.0535 71.2385 -75.0261 71.2385 -60.7519 55.4072 -75.0262 55.4072 39.044 GPRESSAVG: 1155800 22.9868 71.9034 -72.3686 73.5387 -61.4904 57.0212 -76.3561 53.2269 39.6968 TIMING: 1155800 CPU: 3474.88, 0.00303278/step Wall: 3474.88, 0.00303278/step, 3.2385 hours remaining, 208.046875 MB of memory in use. ENERGY: 1155800 748.9049 2090.3598 1933.4170 107.5478 -206529.4138 17921.7482 0.0000 0.0000 34032.8162 -149694.6200 297.2170 -183727.4362 -149594.7713 297.7738 -44.7519 -6.1422 557434.6080 0.1152 0.3977 PRESSURE: 1156000 -107.984 89.5195 -125.842 89.5193 -301.972 23.7868 -125.841 23.7877 -34.2235 GPRESSURE: 1156000 -81.4441 66.3891 -191.1 75.0239 -272.809 -6.54262 -51.5012 39.6436 6.25525 PRESSAVG: 1156000 15.9166 -21.5679 -77.9851 -21.568 -35.0663 92.4253 -77.9851 92.4252 3.6412 GPRESSAVG: 1156000 15.5655 -22.5741 -80.7608 -23.201 -35.6859 92.8432 -76.3995 92.0912 4.52109 TIMING: 1156000 CPU: 3475.48, 0.00302565/step Wall: 3475.48, 0.00302565/step, 3.23072 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: 1156000 778.5258 2116.8925 1923.2522 111.8007 -206369.6228 17841.5200 0.0000 0.0000 34062.2083 -149535.4233 297.4737 -183597.6316 -149437.3408 298.5576 -148.0598 -115.9994 558702.4030 -5.1695 -5.1998 PRESSURE: 1156200 78.7298 -69.9934 -63.899 -69.9939 -107.748 47.4938 -63.8982 47.4949 -93.7266 GPRESSURE: 1156200 93.3404 -104.031 69.8717 -47.1901 -85.7673 26.9227 -140.71 11.4222 -30.6329 PRESSAVG: 1156200 22.0896 -24.4839 -74.4149 -24.4838 -29.093 19.8296 -74.4149 19.8297 -19.3626 GPRESSAVG: 1156200 20.2713 -22.4208 -73.0989 -26.8384 -27.9442 19.1068 -75.4269 20.1942 -19.1791 TIMING: 1156200 CPU: 3476.08, 0.00300242/step Wall: 3476.08, 0.00300242/step, 3.20575 hours remaining, 208.046875 MB of memory in use. ENERGY: 1156200 769.2256 2096.0725 1944.5381 104.6676 -205920.8631 17641.0766 0.0000 0.0000 34008.7236 -149356.5590 297.0066 -183365.2827 -149267.1944 298.6101 -40.9150 -7.6866 556945.7322 -8.7887 -8.9507 LDB: ============= START OF LOAD BALANCING ============== 3479.6 LDB: ============== END OF LOAD BALANCING =============== 3479.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3479.61 LDB: ============= START OF LOAD BALANCING ============== 3479.91 LDB: Largest compute 4822 load 0.025656 is 21.8% of average load 0.117924 LDB: Average compute 0.001740 is 1.5% of average load 0.117924 LDB: TIME 3479.91 LOAD: AVG 0.117924 MAX 0.215278 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.641 MB LDB: TIME 3479.91 LOAD: AVG 0.117924 MAX 0.215278 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.645 MB LDB: TIME 3479.91 LOAD: AVG 0.117924 MAX 0.215278 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.645 MB LDB: ============== END OF LOAD BALANCING =============== 3479.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3479.92 PRESSURE: 1156400 110.033 -21.87 -20.6096 -21.8694 -134.254 -108.819 -20.6105 -108.819 -203.195 GPRESSURE: 1156400 104.759 -88.8901 25.7792 -19.9398 -68.591 -44.8362 -104.77 -59.5174 -178.692 PRESSAVG: 1156400 -18.8291 43.6598 -16.07 43.6598 -34.9394 -9.37539 -16.0701 -9.3754 14.778 GPRESSAVG: 1156400 -18.6244 46.166 -14.9592 42.9832 -35.1159 -7.95532 -16.4427 -9.86262 14.8104 TIMING: 1156400 CPU: 3476.7, 0.00309437/step Wall: 3476.7, 0.00309437/step, 3.30376 hours remaining, 207.578125 MB of memory in use. ENERGY: 1156400 755.2840 2076.6939 1939.1323 114.2658 -206078.4845 17760.1525 0.0000 0.0000 34035.7515 -149397.2044 297.2427 -183432.9559 -149298.0086 298.6209 -75.8053 -47.5081 557246.1694 -12.9968 -12.9766 PRESSURE: 1156600 -211.987 25.9665 -71.1228 25.9678 100.074 -110.214 -71.1238 -110.213 15.3489 GPRESSURE: 1156600 -136.027 -62.5757 -84.7749 -24.8486 120.277 -178.459 -122.157 -70.1418 16.6096 PRESSAVG: 1156600 20.2677 -6.61745 -37.5395 -6.61746 23.6352 35.4376 -37.5395 35.4376 -25.4323 GPRESSAVG: 1156600 20.4546 -9.05124 -36.6811 -6.16193 24.3146 33.973 -36.1285 34.1411 -26.2107 TIMING: 1156600 CPU: 3477.31, 0.00305112/step Wall: 3477.31, 0.00305112/step, 3.25741 hours remaining, 207.781250 MB of memory in use. ENERGY: 1156600 743.8915 2112.8265 1933.7245 114.3362 -206149.7951 17651.0767 0.0000 0.0000 34168.4427 -149425.4971 298.4015 -183593.9399 -149333.4785 298.5009 -32.1879 0.2867 556999.8638 6.1569 6.1862 PRESSURE: 1156800 178.253 -90.2335 16.3388 -90.2336 -4.38308 -41.1109 16.3395 -41.1117 1.26426 GPRESSURE: 1156800 246.309 -155.859 -34.3584 -43.5778 -15.4718 -18.6427 67.188 55.8247 37.5508 PRESSAVG: 1156800 32.7792 -13.0048 -40.8853 -13.0048 43.7193 20.6783 -40.8853 20.6783 -77.7172 GPRESSAVG: 1156800 33.1707 -13.7449 -44.624 -12.5292 43.8386 20.9669 -39.08 22.7982 -77.7307 TIMING: 1156800 CPU: 3477.92, 0.00304088/step Wall: 3477.92, 0.00304088/step, 3.24631 hours remaining, 207.781250 MB of memory in use. ENERGY: 1156800 747.1832 2042.1919 1921.8891 117.4680 -206461.5589 18041.0623 0.0000 0.0000 34168.5039 -149423.2606 298.4020 -183591.7645 -149324.8096 298.6731 58.3782 89.4627 558460.1273 -0.4062 -0.2404 PRESSURE: 1157000 60.9377 -12.8141 -33.9805 -12.8132 -84.5106 -13.0485 -33.9812 -13.0488 -219.257 GPRESSURE: 1157000 36.8747 -14.754 -17.2465 -32.2154 -60.4117 -49.7816 -6.25182 0.558262 -132.105 PRESSAVG: 1157000 -5.53005 11.518 -30.0003 11.5181 30.7401 28.3639 -30.0003 28.364 -46.3824 GPRESSAVG: 1157000 -5.63655 12.8243 -28.5979 11.0571 30.4354 29.1865 -33.5668 28.1232 -45.7156 TIMING: 1157000 CPU: 3478.53, 0.00303749/step Wall: 3478.53, 0.00303749/step, 3.24252 hours remaining, 207.781250 MB of memory in use. ENERGY: 1157000 777.4094 2083.3843 1938.6652 104.5289 -206384.7074 17916.7785 0.0000 0.0000 34051.0300 -149512.9113 297.3761 -183563.9412 -149418.3969 298.5808 -80.9435 -51.8807 557891.4332 -7.0574 -6.9723 PRESSURE: 1157200 34.4837 145.901 102.815 145.903 -69.9144 39.5892 102.813 39.5887 101.276 GPRESSURE: 1157200 47.3289 -9.82775 189.128 210.503 24.6447 -14.8202 54.3138 27.57 113.113 PRESSAVG: 1157200 45.5824 14.2262 -7.48044 14.2262 -25.6675 0.0867601 -7.4805 0.0867785 10.4612 GPRESSAVG: 1157200 44.8075 12.9999 -8.34127 15.724 -24.8928 1.20188 -7.19439 -1.39949 10.0997 TIMING: 1157200 CPU: 3479.13, 0.0030241/step Wall: 3479.13, 0.0030241/step, 3.22806 hours remaining, 207.781250 MB of memory in use. ENERGY: 1157200 749.8896 2111.0640 1939.4921 111.7247 -206775.7065 18141.7977 0.0000 0.0000 34152.2249 -149569.5134 298.2599 -183721.7384 -149479.2373 299.1389 21.9485 61.6957 555970.5300 10.1254 10.0048 PRESSURE: 1157400 -117.982 -56.2874 -89.5739 -56.2876 65.261 79.7116 -89.5723 79.7112 -217.464 GPRESSURE: 1157400 -67.1499 -60.1429 -49.6762 -175.337 91.2701 29.2485 -122.9 150.966 -190.258 PRESSAVG: 1157400 -18.9109 -18.9261 -68.2872 -18.926 -28.5132 -2.40875 -68.2872 -2.40867 17.3703 GPRESSAVG: 1157400 -17.0645 -18.5592 -65.7682 -20.0352 -29.8208 -4.51129 -69.9858 -0.338755 16.8189 TIMING: 1157400 CPU: 3479.75, 0.00306255/step Wall: 3479.75, 0.00306255/step, 3.26893 hours remaining, 207.781250 MB of memory in use. ENERGY: 1157400 753.3142 2087.4282 1932.2031 120.4396 -206349.4525 17734.0836 0.0000 0.0000 34153.7691 -149568.2147 298.2734 -183721.9839 -149487.9890 297.9084 -90.0617 -55.3793 557171.1376 -10.0179 -10.0221 PRESSURE: 1157600 -357.131 -45.1892 -11.6631 -45.1887 -102.135 -165.519 -11.6629 -165.518 -213.33 GPRESSURE: 1157600 -355.823 1.92234 1.74042 -22.3893 -68.1226 -106.48 -12.7031 -247.111 -172.781 PRESSAVG: 1157600 -21.6826 -72.2106 -46.9804 -72.2106 -5.25727 2.26589 -46.9804 2.26585 1.78062 GPRESSAVG: 1157600 -22.5567 -71.3331 -47.6096 -70.6453 -4.24767 3.67527 -45.0165 3.49162 1.19323 TIMING: 1157600 CPU: 3480.35, 0.0030369/step Wall: 3480.35, 0.0030369/step, 3.24138 hours remaining, 207.781250 MB of memory in use. ENERGY: 1157600 761.0861 2006.9394 1947.0001 100.4432 -206411.9080 17623.4102 0.0000 0.0000 34266.2064 -149706.8225 299.2553 -183973.0289 -149605.7332 298.1044 -224.1986 -198.9089 556921.5601 -8.3864 -8.5370 PRESSURE: 1157800 -224.225 -153.228 -160.008 -153.228 181.697 11.4649 -160.008 11.4645 -226.319 GPRESSURE: 1157800 -170.114 -134.02 -154.48 -151.381 206.139 25.8908 -174.248 66.6754 -210.146 PRESSAVG: 1157800 -39.5333 -29.045 -25.5307 -29.045 52.289 -38.7849 -25.5308 -38.7849 7.09061 GPRESSAVG: 1157800 -38.9113 -28.776 -23.417 -28.9762 52.0037 -39.5649 -26.792 -40.3863 6.66771 TIMING: 1157800 CPU: 3480.96, 0.00303738/step Wall: 3480.96, 0.00303738/step, 3.24173 hours remaining, 207.781250 MB of memory in use. ENERGY: 1157800 753.9592 2080.2653 1984.2963 114.7426 -206541.9336 17887.6868 0.0000 0.0000 34188.6107 -149532.3726 298.5776 -183720.9833 -149438.6560 297.9428 -89.6159 -58.0401 556547.9471 6.6154 6.5867 PRESSURE: 1158000 -5.29603 85.6777 -5.40222 85.6765 25.5966 -46.9707 -5.40212 -46.9701 -190.559 GPRESSURE: 1158000 -6.0812 105.516 29.4489 83.9154 102.081 15.7071 -71.2247 51.1191 -168.507 PRESSAVG: 1158000 -38.1184 -73.9562 40.6532 -73.9563 39.7637 -26.2478 40.6532 -26.2477 -43.6305 GPRESSAVG: 1158000 -39.2219 -73.408 38.8239 -75.2296 38.5565 -24.625 42.1134 -26.0678 -41.3424 TIMING: 1158000 CPU: 3481.57, 0.00305362/step Wall: 3481.57, 0.00305362/step, 3.25889 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: 1158000 757.3941 2103.6227 1943.1526 132.9082 -206281.3841 17821.2121 0.0000 0.0000 34001.9397 -149521.1547 296.9474 -183523.0944 -149433.2678 298.8217 -56.7529 -24.1689 558355.2368 -13.9951 -14.0026 PRESSURE: 1158200 -82.6006 -15.2151 30.2277 -15.2141 -152.538 144.923 30.2284 144.925 138.99 GPRESSURE: 1158200 -66.4819 -26.9791 2.68117 -51.5189 -90.9136 111.498 99.753 113.835 158.056 PRESSAVG: 1158200 -42.4709 -3.40036 -16.7055 -3.40027 10.9376 -0.410325 -16.7054 -0.410285 -25.4451 GPRESSAVG: 1158200 -41.4377 -4.41929 -18.8583 -2.68071 12.0365 0.635276 -16.5159 -0.732027 -27.1597 TIMING: 1158200 CPU: 3482.18, 0.00302093/step Wall: 3482.18, 0.00302093/step, 3.22384 hours remaining, 207.781250 MB of memory in use. ENERGY: 1158200 766.5561 2004.4676 1963.7681 110.6543 -206495.9397 17827.0832 0.0000 0.0000 34546.1640 -149277.2464 301.7002 -183823.4104 -149177.8709 299.2781 -32.0493 0.2202 557356.4737 -18.9928 -18.8536 PRESSURE: 1158400 19.6811 94.0972 -39.0186 94.0972 77.9231 -64.7015 -39.0183 -64.7009 34.6752 GPRESSURE: 1158400 18.8146 67.7533 14.2776 29.1316 121.728 -39.2336 -60.6442 -56.4252 102.409 PRESSAVG: 1158400 -2.86957 -38.7291 -59.8966 -38.7292 3.05375 21.2155 -59.8966 21.2155 57.3062 GPRESSAVG: 1158400 -4.6759 -39.4486 -59.0471 -37.7647 4.25478 20.0537 -59.6387 22.2051 57.9476 TIMING: 1158400 CPU: 3482.79, 0.00305811/step Wall: 3482.79, 0.00305811/step, 3.26334 hours remaining, 207.781250 MB of memory in use. ENERGY: 1158400 742.1276 2097.1257 1898.8279 100.7718 -206285.7156 17735.0215 0.0000 0.0000 34342.1357 -149369.7055 299.9184 -183711.8411 -149273.7470 299.4440 44.0931 80.9836 555302.0874 19.1634 19.1755 PRESSURE: 1158600 34.7432 72.2723 8.04065 72.2723 127.958 23.0855 8.04087 23.084 -240.186 GPRESSURE: 1158600 24.6529 -29.3919 -61.7869 53.3641 161.166 10.3982 74.2174 16.2924 -157.635 PRESSAVG: 1158600 -63.8659 13.9357 -1.08255 13.9358 13.3218 -7.09639 -1.08256 -7.09636 39.26 GPRESSAVG: 1158600 -62.0447 13.5574 -1.21913 13.7717 11.8875 -7.31857 -1.12749 -7.90544 37.9067 TIMING: 1158600 CPU: 3483.39, 0.00303593/step Wall: 3483.39, 0.00303593/step, 3.23951 hours remaining, 207.781250 MB of memory in use. ENERGY: 1158600 724.1284 2094.8567 1936.4417 114.7139 -206049.7515 17633.5654 0.0000 0.0000 34077.6594 -149468.3861 297.6087 -183546.0455 -149382.0045 298.5718 -25.8285 9.3943 556372.9445 -3.7614 -4.0835 PRESSURE: 1158800 108.794 -26.8628 52.0078 -26.8636 102.664 73.5941 52.0083 73.5919 -54.7948 GPRESSURE: 1158800 180.444 20.926 -32.3462 71.8929 96.9033 23.3398 81.0291 112.359 -24.6417 PRESSAVG: 1158800 16.7479 53.7021 34.4301 53.7022 60.4457 84.1511 34.4301 84.1511 -33.6357 GPRESSAVG: 1158800 16.16 54.0825 33.7181 53.9964 60.6228 83.0548 36.1413 85.6263 -32.8662 TIMING: 1158800 CPU: 3484, 0.00301904/step Wall: 3484, 0.00301904/step, 3.22132 hours remaining, 207.781250 MB of memory in use. ENERGY: 1158800 699.6239 2154.4844 1932.0080 111.6193 -206354.6692 17865.8088 0.0000 0.0000 34237.4865 -149353.6383 299.0045 -183591.1248 -149253.6578 298.7076 52.2212 84.2351 557030.4203 14.5193 14.6389 PRESSURE: 1159000 -216.981 -51.3573 -82.3954 -51.3566 98.1945 -6.82822 -82.3945 -6.82904 -77.0117 GPRESSURE: 1159000 -190.936 -20.8562 -72.2585 -16.5691 160.965 79.2189 -59.064 -46.291 -80.7521 PRESSAVG: 1159000 -11.2491 -0.772491 -31.4111 -0.772494 24.4126 50.379 -31.411 50.379 18.8005 GPRESSAVG: 1159000 -12.2333 1.11665 -30.1151 -2.25354 26.5525 52.0745 -33.8752 48.2015 17.8062 TIMING: 1159000 CPU: 3484.6, 0.00299926/step Wall: 3484.6, 0.00299927/step, 3.20005 hours remaining, 207.781250 MB of memory in use. ENERGY: 1159000 739.0751 2096.6044 1949.0503 115.1762 -206286.8885 17726.7030 0.0000 0.0000 34463.8872 -149196.3923 300.9817 -183660.2795 -149102.7573 299.4643 -65.2660 -36.9080 557985.8088 10.6547 10.7084 PRESSURE: 1159200 -104.426 -17.3389 28.092 -17.3388 82.7058 291.059 28.0921 291.057 12.587 GPRESSURE: 1159200 -62.1068 -25.7717 60.9412 14.2908 123.939 220.865 1.61329 320.953 32.5276 PRESSAVG: 1159200 -24.804 28.1629 -4.58915 28.1629 89.1216 41.5163 -4.58914 41.5161 -42.766 GPRESSAVG: 1159200 -24.1972 26.6653 -6.55134 30.2186 87.4677 41.3165 -5.04136 42.2884 -42.2871 TIMING: 1159200 CPU: 3485.2, 0.00303423/step Wall: 3485.2, 0.00303423/step, 3.23719 hours remaining, 207.781250 MB of memory in use. ENERGY: 1159200 733.9015 2051.2982 1962.6763 122.5958 -206419.2084 17868.7407 0.0000 0.0000 34325.2186 -149354.7774 299.7707 -183679.9959 -149255.0811 299.3922 -3.0446 31.4533 557634.6286 7.1839 6.9944 PRESSURE: 1159400 -238.709 -34.049 -29.4461 -34.0491 -246.24 -183.161 -29.4455 -183.158 77.637 GPRESSURE: 1159400 -191.338 -43.1739 -15.1867 16.1566 -180.608 -176.891 -5.17527 -184.828 61.8924 PRESSAVG: 1159400 -27.4716 -30.7602 -5.46454 -30.7603 28.8703 -22.7495 -5.4645 -22.7494 18.1087 GPRESSAVG: 1159400 -26.6208 -31.5245 -2.91549 -30.784 28.4331 -23.1053 -5.45057 -22.768 17.6801 TIMING: 1159400 CPU: 3485.82, 0.00306167/step Wall: 3485.82, 0.00306167/step, 3.26629 hours remaining, 207.781250 MB of memory in use. ENERGY: 1159400 782.6987 2170.6292 1931.3487 106.1355 -206254.4834 17692.2057 0.0000 0.0000 34273.0433 -149298.4223 299.3150 -183571.4655 -149201.4524 299.4591 -135.7708 -103.3510 558168.7366 6.5025 6.4975 PRESSURE: 1159600 81.458 -9.33119 7.15673 -9.33098 -70.9685 -7.3983 7.15816 -7.39613 46.899 GPRESSURE: 1159600 53.1298 18.6259 -94.6118 -58.6532 14.2115 45.65 32.8035 -120.015 91.8737 PRESSAVG: 1159600 -26.7978 11.3224 -42.0374 11.3224 6.15776 -15.6697 -42.0373 -15.6696 17.642 GPRESSAVG: 1159600 -27.8441 12.486 -42.6116 10.3349 7.58425 -15.8097 -41.4177 -14.5435 17.123 TIMING: 1159600 CPU: 3486.42, 0.0030141/step Wall: 3486.42, 0.0030141/step, 3.21537 hours remaining, 207.781250 MB of memory in use. ENERGY: 1159600 727.0863 2108.5830 1943.8339 120.5906 -206214.0824 17775.5375 0.0000 0.0000 34139.8282 -149398.6229 298.1516 -183538.4510 -149304.9329 299.4098 19.1295 53.0717 557864.0283 -0.9993 -1.0456 PRESSURE: 1159800 -206.644 -58.7644 166.099 -58.7645 -198.747 -100.455 166.098 -100.453 -148.612 GPRESSURE: 1159800 -197.52 -71.4899 193.136 -65.6341 -173.072 -49.9543 86.5159 -152.837 -92.4128 PRESSAVG: 1159800 -30.6014 -31.268 42.565 -31.268 -26.401 -50.1522 42.565 -50.1522 64.1046 GPRESSAVG: 1159800 -30.568 -30.7032 40.3233 -31.7363 -27.2793 -49.7869 41.3817 -49.3716 64.9434 TIMING: 1159800 CPU: 3487.03, 0.00303795/step Wall: 3487.03, 0.00303795/step, 3.24064 hours remaining, 207.781250 MB of memory in use. ENERGY: 1159800 785.7427 2119.5964 1947.7150 116.8899 -206415.7986 17710.2967 0.0000 0.0000 34231.9813 -149503.5766 298.9564 -183735.5578 -149410.7402 299.0798 -184.6673 -154.3351 557513.1485 2.3674 2.3654 PRESSURE: 1160000 -11.6422 89.7096 24.429 89.7102 -152.653 16.8709 24.4291 16.8705 -81.0284 GPRESSURE: 1160000 3.04318 213.573 -17.7649 99.9706 -120.971 14.3359 19.5608 -29.1114 -38.0735 PRESSAVG: 1160000 -56.4108 -39.0901 23.707 -39.0901 34.6977 -44.4642 23.707 -44.4642 11.7674 GPRESSAVG: 1160000 -57.0183 -40.3454 25.8303 -36.9015 34.1499 -44.6283 23.2015 -43.9993 13.295 TIMING: 1160000 CPU: 3487.64, 0.00306248/step Wall: 3487.64, 0.00306248/step, 3.26664 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: 1160000 763.3367 2099.7404 1918.7030 116.1601 -206308.6884 17696.5665 0.0000 0.0000 34352.0986 -149362.0832 300.0054 -183714.1817 -149262.7620 298.8753 -81.7744 -52.0005 557012.0181 -3.3152 -3.1911 PRESSURE: 1160200 -220.033 -7.58325 134.992 -7.58353 -25.1697 2.13706 134.992 2.13544 -69.3284 GPRESSURE: 1160200 -194.264 11.3257 145.237 -29.116 79.5716 -30.4337 161.901 48.9222 -99.33 PRESSAVG: 1160200 0.627318 -12.5936 60.1886 -12.5936 -34.6435 44.7214 60.1886 44.7214 -3.35685 GPRESSAVG: 1160200 0.782238 -11.9355 59.7734 -14.4267 -34.0781 45.4702 61.3805 41.3963 -4.07934 TIMING: 1160200 CPU: 3488.25, 0.00305456/step Wall: 3488.25, 0.00305456/step, 3.25803 hours remaining, 207.781250 MB of memory in use. ENERGY: 1160200 777.1404 2108.8922 1908.9510 118.2932 -206424.4177 17768.0903 0.0000 0.0000 34259.6780 -149483.3727 299.1983 -183743.0507 -149388.2340 299.5463 -104.8436 -71.3409 555854.1919 -12.4577 -12.4584 LDB: ============= START OF LOAD BALANCING ============== 3491.77 LDB: ============== END OF LOAD BALANCING =============== 3491.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3491.77 LDB: ============= START OF LOAD BALANCING ============== 3492.08 LDB: Largest compute 4800 load 0.025779 is 21.9% of average load 0.117922 LDB: Average compute 0.001742 is 1.5% of average load 0.117922 LDB: TIME 3492.08 LOAD: AVG 0.117922 MAX 0.215619 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.43 MB LDB: TIME 3492.08 LOAD: AVG 0.117922 MAX 0.215619 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.633 MB LDB: TIME 3492.08 LOAD: AVG 0.117922 MAX 0.215619 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.633 MB LDB: ============== END OF LOAD BALANCING =============== 3492.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3492.09 PRESSURE: 1160400 -18.6969 -127.766 -54.2249 -127.765 -173.343 110.391 -54.2257 110.392 -155.655 GPRESSURE: 1160400 -23.1628 -115.012 42.1645 -165.235 -79.0346 149.077 -91.8721 94.3266 -134.645 PRESSAVG: 1160400 12.3191 -35.2034 27.9044 -35.2034 -49.6102 -4.94422 27.9045 -4.94437 14.2985 GPRESSAVG: 1160400 12.6292 -34.7496 29.086 -37.44 -49.0159 -5.79489 25.7141 -3.32412 13.2624 TIMING: 1160400 CPU: 3488.87, 0.00310123/step Wall: 3488.87, 0.00310123/step, 3.30764 hours remaining, 206.562500 MB of memory in use. ENERGY: 1160400 769.0194 2068.5928 1932.4625 123.1514 -206568.4412 17933.1868 0.0000 0.0000 34230.0348 -149511.9935 298.9394 -183742.0283 -149409.1366 298.4915 -115.8982 -78.9474 555594.9557 -7.6642 -7.7081 PRESSURE: 1160600 220.695 -53.8005 64.5002 -53.802 -164.859 -59.7411 64.4994 -59.7401 -278.603 GPRESSURE: 1160600 213.531 -32.5249 132.33 -72.1709 -133.793 -0.154981 30.4238 -34.8148 -200.834 PRESSAVG: 1160600 78.7336 -35.595 28.3687 -35.595 -59.9294 18.6341 28.3687 18.6342 -45.7953 GPRESSAVG: 1160600 78.1866 -35.596 27.4171 -32.7362 -61.0388 16.7719 30.4005 20.2701 -44.6857 TIMING: 1160600 CPU: 3489.48, 0.00304304/step Wall: 3489.48, 0.00304304/step, 3.24541 hours remaining, 206.765625 MB of memory in use. ENERGY: 1160600 764.2604 2067.2630 1951.4112 114.5787 -206436.5511 17854.6494 0.0000 0.0000 34037.5109 -149646.8775 297.2580 -183684.3884 -149546.3453 298.6055 -74.2556 -40.3656 557001.4154 -8.9970 -9.1793 PRESSURE: 1160800 271.744 -131.58 -267.341 -131.58 345.625 11.0131 -267.341 11.0126 140.275 GPRESSURE: 1160800 288.114 -138.812 -171.863 -168.889 391.544 -60.0405 -242.027 79.175 177.465 PRESSAVG: 1160800 49.8144 11.3325 -23.4031 11.3324 -24.8313 -27.5059 -23.4031 -27.506 -30.4317 GPRESSAVG: 1160800 50.5337 10.8378 -25.2138 11.4229 -25.1294 -25.6492 -22.0466 -29.3014 -30.6212 TIMING: 1160800 CPU: 3490.08, 0.00300304/step Wall: 3490.08, 0.00300304/step, 3.20258 hours remaining, 206.765625 MB of memory in use. ENERGY: 1160800 766.5393 2123.9886 1919.6563 95.9298 -206901.2680 18306.2809 0.0000 0.0000 34317.0286 -149371.8445 299.6991 -183688.8731 -149275.0131 298.5955 252.5477 285.7077 557681.4554 -1.8162 -1.7390 PRESSURE: 1161000 -307.725 -88.3377 -97.0687 -88.3369 -133.977 -25.873 -97.0688 -25.8725 -20.8671 GPRESSURE: 1161000 -243.983 -143.554 -116.15 -71.2225 -69.6899 7.30346 -123.277 -37.0537 -59.9559 PRESSAVG: 1161000 -15.4264 20.0737 -31.9235 20.0737 39.5795 8.57163 -31.9235 8.5718 -23.5457 GPRESSAVG: 1161000 -15.1873 18.9529 -30.2777 19.937 39.0817 9.8317 -34.0936 8.90164 -23.5351 TIMING: 1161000 CPU: 3490.68, 0.00298529/step Wall: 3490.68, 0.00298529/step, 3.18348 hours remaining, 206.765625 MB of memory in use. ENERGY: 1161000 744.8237 2077.0707 1930.2656 124.0044 -206159.3280 17690.9298 0.0000 0.0000 34383.9454 -149208.2884 300.2835 -183592.2338 -149121.7174 299.3936 -154.1898 -124.5429 560244.8535 0.2025 0.1198 PRESSURE: 1161200 -296.697 162.793 1.52673 162.793 -97.1255 -9.71553 1.52778 -9.71644 324.702 GPRESSURE: 1161200 -227.09 94.0175 -52.6232 185.404 -125.301 -66.1784 21.1134 21.5005 365.624 PRESSAVG: 1161200 25.4766 -47.9653 -5.50731 -47.9653 -27.3115 -55.769 -5.50725 -55.769 -63.5712 GPRESSAVG: 1161200 24.4647 -47.6651 -8.33988 -47.522 -26.6235 -54.8598 -2.14082 -57.6488 -63.8386 TIMING: 1161200 CPU: 3491.28, 0.00300951/step Wall: 3491.28, 0.00300951/step, 3.20915 hours remaining, 206.765625 MB of memory in use. ENERGY: 1161200 738.5147 2048.8044 1926.4121 106.4074 -206063.1931 17728.6821 0.0000 0.0000 34205.9882 -149308.3842 298.7294 -183514.3723 -149211.5205 299.1237 -23.0400 4.4111 557749.6081 -21.8021 -21.9991 PRESSURE: 1161400 131.13 96.2105 22.2042 96.2118 101.361 -94.6487 22.2031 -94.6481 -10.3763 GPRESSURE: 1161400 187.033 44.7687 85.3861 143.526 131.974 26.0544 70.5245 -85.687 2.44171 PRESSAVG: 1161400 38.2866 5.16109 37.9892 5.16108 -12.1032 24.909 37.9893 24.9091 -12.2911 GPRESSAVG: 1161400 38.6853 6.37083 39.9204 3.83637 -12.4674 22.7418 35.7217 26.9349 -12.2711 TIMING: 1161400 CPU: 3491.89, 0.0030327/step Wall: 3491.89, 0.0030327/step, 3.2337 hours remaining, 206.765625 MB of memory in use. ENERGY: 1161400 766.2409 2118.2637 1952.3498 104.5551 -206619.5260 18051.4515 0.0000 0.0000 34455.3928 -149171.2724 300.9075 -183626.6651 -149075.1028 299.4122 74.0384 107.1498 556848.4073 4.6308 4.6489 PRESSURE: 1161600 61.0128 -131.376 90.9617 -131.374 199.85 -119.574 90.9618 -119.574 -11.1709 GPRESSURE: 1161600 107.351 -87.3739 35.1983 -127.255 208.557 -84.3691 125.728 -105.772 23.9074 PRESSAVG: 1161600 30.1652 49.5752 19.9756 49.5752 -35.4299 32.2878 19.9755 32.2878 -8.57884 GPRESSAVG: 1161600 29.9449 47.4587 19.9513 51.3115 -35.9051 32.0551 19.0242 33.3768 -8.30943 TIMING: 1161600 CPU: 3492.49, 0.00303753/step Wall: 3492.49, 0.00303753/step, 3.23868 hours remaining, 206.765625 MB of memory in use. ENERGY: 1161600 765.9251 2117.2233 1929.2121 123.2990 -206463.1379 17892.0615 0.0000 0.0000 34416.4845 -149218.9324 300.5677 -183635.4168 -149129.1499 300.1516 83.2307 113.2721 556413.3683 -4.6145 -4.7565 PRESSURE: 1161800 -40.8398 -81.4171 105.478 -81.418 52.1819 61.7492 105.476 61.7481 89.1007 GPRESSURE: 1161800 8.28621 -102.797 195.845 -35.7733 75.9183 -7.98731 -0.669118 81.4302 115.152 PRESSAVG: 1161800 13.1477 -6.85742 7.643 -6.85756 -6.04487 25.0851 7.64304 25.0852 7.38127 GPRESSAVG: 1161800 13.1112 -3.82181 6.5241 -7.32913 -5.29483 27.6276 10.5242 22.5382 7.16733 TIMING: 1161800 CPU: 3493.1, 0.0030434/step Wall: 3493.1, 0.0030434/step, 3.24477 hours remaining, 206.765625 MB of memory in use. ENERGY: 1161800 753.9378 2110.9348 1963.6823 116.9725 -206269.4673 17862.0830 0.0000 0.0000 34280.2781 -149181.5787 299.3782 -183461.8568 -149087.4519 299.3506 33.4809 66.4521 557668.0855 4.8280 4.9946 PRESSURE: 1162000 -114.917 136.259 -127.188 136.256 84.5799 -92.3959 -127.188 -92.3957 144.646 GPRESSURE: 1162000 -102.42 121.041 -206.225 177.894 114.644 -94.3713 -102.25 -91.6617 189.852 PRESSAVG: 1162000 -50.6986 58.7223 15.1261 58.7223 10.999 -8.59108 15.1261 -8.59107 41.0843 GPRESSAVG: 1162000 -50.364 56.4068 14.9822 59.4037 11.0391 -9.30732 12.0472 -7.26634 41.0384 TIMING: 1162000 CPU: 3493.71, 0.00302809/step Wall: 3493.71, 0.00302809/step, 3.22828 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: 1162000 792.7435 2116.1649 1949.0065 137.3968 -206381.1179 17964.0645 0.0000 0.0000 34162.1567 -149259.5849 298.3466 -183421.7417 -149166.8203 298.9274 38.1030 67.3588 557471.5446 0.4616 0.5712 PRESSURE: 1162200 -99.9328 80.0164 -47.5641 80.0164 110.078 -103.695 -47.5637 -103.695 108.7 GPRESSURE: 1162200 -56.0557 36.9113 -52.0221 108.181 127.78 -71.4668 66.3172 -171.419 145.416 PRESSAVG: 1162200 -16.0952 41.5741 -51.383 41.5741 16.2899 -30.0379 -51.383 -30.0379 50.4222 GPRESSAVG: 1162200 -17.088 39.7747 -51.4298 40.4149 17.6719 -31.8857 -50.9767 -30.1907 49.974 TIMING: 1162200 CPU: 3494.31, 0.00303517/step Wall: 3494.31, 0.00303517/step, 3.23566 hours remaining, 206.765625 MB of memory in use. ENERGY: 1162200 776.7708 2094.1589 1934.1407 116.3522 -206497.4763 18015.9154 0.0000 0.0000 34081.2669 -149478.8715 297.6402 -183560.1384 -149380.0961 298.3457 39.6148 72.3799 556633.4219 16.8723 16.8526 PRESSURE: 1162400 126.404 -9.63899 -113.45 -9.64072 -165.62 100.064 -113.45 100.064 34.2263 GPRESSURE: 1162400 197.64 27.3881 -232.409 12.5474 -138.753 80.742 -76.2481 77.6738 47.4247 PRESSAVG: 1162400 32.9785 66.126 4.84494 66.1259 19.7119 -4.01496 4.84506 -4.01495 -20.5622 GPRESSAVG: 1162400 32.7933 69.0135 4.9 65.3733 19.3403 -4.37873 5.98646 -3.50538 -19.9059 TIMING: 1162400 CPU: 3494.92, 0.00303146/step Wall: 3494.92, 0.00303146/step, 3.23154 hours remaining, 206.765625 MB of memory in use. ENERGY: 1162400 779.8594 2146.4422 1941.8642 113.9823 -206287.2690 17724.7444 0.0000 0.0000 34220.3241 -149360.0524 298.8546 -183580.3764 -149270.1976 298.8127 -1.6633 35.4373 557386.7825 10.7094 10.7426 PRESSURE: 1162600 252.682 -19.3739 -185.554 -19.3743 150.955 -88.9381 -185.553 -88.9378 -114.353 GPRESSURE: 1162600 262.042 -95.6766 -196.856 84.2128 176.667 -145.761 -222.044 -62.5719 -44.3152 PRESSAVG: 1162600 -19.95 41.7434 -23.7766 41.7434 -9.10253 56.6955 -23.7766 56.6955 -6.62574 GPRESSAVG: 1162600 -18.9462 41.0915 -23.2453 42.7399 -9.53126 58.1906 -26.0887 55.9127 -7.61187 TIMING: 1162600 CPU: 3495.54, 0.00307592/step Wall: 3495.54, 0.00307592/step, 3.27876 hours remaining, 206.765625 MB of memory in use. ENERGY: 1162600 747.4855 2076.9985 1953.5505 103.4511 -206602.7977 18074.7772 0.0000 0.0000 34243.3025 -149403.2323 299.0553 -183646.5348 -149303.9011 298.2249 96.4276 131.4645 557428.6516 -11.8928 -12.0298 PRESSURE: 1162800 -77.8207 -38.4551 -3.472 -38.4557 38.4786 95.6971 -3.47321 95.6981 -53.0118 GPRESSURE: 1162800 21.879 -111.647 49.6112 27.168 53.7207 172.668 -39.0786 60.0588 -81.988 PRESSAVG: 1162800 -38.2899 15.8072 -39.8835 15.8072 19.9553 -19.8195 -39.8835 -19.8193 9.12948 GPRESSAVG: 1162800 -38.064 16.6236 -39.4616 14.509 19.4261 -20.0055 -38.832 -18.9594 9.85135 TIMING: 1162800 CPU: 3496.14, 0.00303404/step Wall: 3496.14, 0.00303404/step, 3.23395 hours remaining, 206.765625 MB of memory in use. ENERGY: 1162800 716.4337 2040.5668 1952.5364 92.8723 -206267.7851 17729.6527 0.0000 0.0000 34373.6927 -149362.0306 300.1940 -183735.7232 -149268.4901 298.6823 -30.7846 -2.1294 556626.4705 -3.0684 -2.9289 PRESSURE: 1163000 235.147 -70.1368 131.769 -70.1367 -96.4037 -46.2507 131.769 -46.2505 -135.543 GPRESSURE: 1163000 234.104 38.5574 104.979 22.8755 -61.7998 -135.589 213.66 3.41706 -58.9539 PRESSAVG: 1163000 11.9868 -23.3289 9.6304 -23.329 -52.6959 -6.97399 9.63044 -6.97398 -1.30265 GPRESSAVG: 1163000 11.4236 -24.8564 10.5265 -20.8829 -52.1044 -9.29571 9.84265 -7.36002 -1.05483 TIMING: 1163000 CPU: 3496.75, 0.00302741/step Wall: 3496.75, 0.00302741/step, 3.22671 hours remaining, 206.765625 MB of memory in use. ENERGY: 1163000 718.0429 2142.5934 1921.1428 99.4937 -206016.5914 17723.3426 0.0000 0.0000 33947.6134 -149464.3625 296.4730 -183411.9759 -149364.2815 299.1893 1.0666 37.7833 556847.2921 -14.0039 -13.9119 PRESSURE: 1163200 -103.583 -67.125 119.437 -67.1256 41.7161 -99.7289 119.438 -99.7296 -270.964 GPRESSURE: 1163200 -94.2195 -132.242 26.717 -120.886 112.567 -63.954 132.385 -95.0949 -250.731 PRESSAVG: 1163200 -26.9664 -44.0058 -44.948 -44.0058 10.036 20.0344 -44.9479 20.0345 11.4959 GPRESSAVG: 1163200 -26.9095 -44.0942 -47.571 -44.8413 9.9531 23.0853 -45.0206 20.7553 12.191 TIMING: 1163200 CPU: 3497.36, 0.00305745/step Wall: 3497.36, 0.00305745/step, 3.25856 hours remaining, 206.765625 MB of memory in use. ENERGY: 1163200 758.2026 2082.1687 1950.1875 119.0424 -206273.9008 17710.6056 0.0000 0.0000 34199.4761 -149454.2179 298.6725 -183653.6940 -149357.3301 298.3891 -110.9437 -77.4613 558079.3175 -1.8115 -1.5885 PRESSURE: 1163400 118.738 120.397 98.1606 120.396 -139.467 -131.846 98.1613 -131.847 221.841 GPRESSURE: 1163400 144.388 16.511 167.441 140.56 -131.339 -130.875 -5.18406 -131.226 287.772 PRESSAVG: 1163400 37.918 -4.48655 -62.7354 -4.48661 -44.9653 -5.77733 -62.7354 -5.77741 7.22863 GPRESSAVG: 1163400 38.1635 -3.93506 -59.4661 -4.81575 -44.4846 -5.89877 -66.2054 -7.00675 6.09756 TIMING: 1163400 CPU: 3497.97, 0.00304395/step Wall: 3497.97, 0.00304395/step, 3.24401 hours remaining, 206.765625 MB of memory in use. ENERGY: 1163400 756.0750 2064.0287 1937.5413 114.0752 -206597.9923 17922.9505 0.0000 0.0000 34337.6903 -149465.6313 299.8796 -183803.3216 -149376.7132 298.8744 67.0371 100.2738 555672.4205 0.0604 -0.0745 PRESSURE: 1163600 -51.1766 37.245 12.3343 37.2456 -79.3914 -103.954 12.3337 -103.954 20.0758 GPRESSURE: 1163600 -47.3335 -8.98265 45.2071 -13.9733 -83.4391 -105.051 40.0684 -126.279 122.55 PRESSAVG: 1163600 -40.3518 -55.3744 -34.576 -55.3745 14.7951 -33.3904 -34.576 -33.3906 42.4433 GPRESSAVG: 1163600 -40.3441 -55.4872 -37.6483 -55.865 14.2532 -36.1542 -30.5808 -33.211 43.1218 TIMING: 1163600 CPU: 3498.58, 0.00303303/step Wall: 3498.58, 0.00303303/step, 3.2322 hours remaining, 206.765625 MB of memory in use. ENERGY: 1163600 766.2091 2101.4399 1953.6678 124.5495 -206648.4605 17917.6947 0.0000 0.0000 34265.4062 -149519.4934 299.2483 -183784.8996 -149423.0641 298.4168 -36.8307 -2.7408 555709.0535 5.6289 5.6770 PRESSURE: 1163800 279.384 192.744 -53.6159 192.745 143.663 -41.5873 -53.6156 -41.5871 -1.55297 GPRESSURE: 1163800 278.488 189.751 52.0747 152.885 184.549 -42.5077 -84.0196 -42.3454 62.2904 PRESSAVG: 1163800 28.5784 -44.9077 -26.1315 -44.9077 15.6143 -10.1246 -26.1314 -10.1245 -69.6696 GPRESSAVG: 1163800 28.8324 -44.202 -23.4705 -45.7695 15.249 -9.83409 -28.8 -8.22216 -70.0597 TIMING: 1163800 CPU: 3499.18, 0.00304132/step Wall: 3499.18, 0.00304132/step, 3.24087 hours remaining, 206.765625 MB of memory in use. ENERGY: 1163800 715.2214 2092.0417 1959.4971 117.7323 -206229.0188 17952.0156 0.0000 0.0000 33938.9393 -149453.5714 296.3972 -183392.5107 -149359.4761 298.5149 140.4979 175.1091 557974.5898 -8.4923 -8.6594 PRESSURE: 1164000 -23.1041 -9.20652 -82.7661 -9.20562 -130.637 232.37 -82.7667 232.37 92.9515 GPRESSURE: 1164000 -7.69701 59.5745 -59.7156 -29.3929 -103.618 190.867 -62.966 142.152 144.185 PRESSAVG: 1164000 29.7936 -20.172 -96.6094 -20.172 -51.506 -10.3302 -96.6094 -10.33 47.0345 GPRESSAVG: 1164000 30.1628 -19.835 -100.157 -18.8387 -51.5112 -10.1626 -94.1404 -11.5185 47.0742 TIMING: 1164000 CPU: 3499.79, 0.00300905/step Wall: 3499.79, 0.00300905/step, 3.20631 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: 1164000 745.6284 2089.8934 1951.7975 109.1267 -206350.9405 17958.2107 0.0000 0.0000 34078.6859 -149417.5979 297.6176 -183496.2839 -149323.4319 297.9878 -20.2633 10.9565 557575.8320 8.4407 8.5753 PRESSURE: 1164200 -318.97 121.29 -136.463 121.29 -449.962 0.414894 -136.464 0.415238 9.88814 GPRESSURE: 1164200 -295.578 158.995 -78.8708 68.1344 -401.178 24.0566 -123.299 37.6142 34.5467 PRESSAVG: 1164200 -36.4379 25.5964 -55.0572 25.5964 -51.8371 7.80743 -55.0571 7.8074 78.3989 GPRESSAVG: 1164200 -35.4427 24.753 -52.8111 25.6746 -51.9998 9.1636 -56.8092 6.7685 77.4214 TIMING: 1164200 CPU: 3500.39, 0.00301404/step Wall: 3500.39, 0.00301404/step, 3.21146 hours remaining, 206.765625 MB of memory in use. ENERGY: 1164200 767.5960 2115.1922 1950.5108 115.7868 -205938.8603 17475.0845 0.0000 0.0000 34266.3196 -149248.3705 299.2563 -183514.6900 -149160.1923 298.6102 -253.0148 -220.7364 557225.2958 -3.2920 -3.3404 LDB: ============= START OF LOAD BALANCING ============== 3503.91 LDB: ============== END OF LOAD BALANCING =============== 3503.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3503.91 LDB: ============= START OF LOAD BALANCING ============== 3504.21 LDB: Largest compute 4822 load 0.025679 is 21.8% of average load 0.117942 LDB: Average compute 0.001731 is 1.5% of average load 0.117942 LDB: TIME 3504.22 LOAD: AVG 0.117942 MAX 0.214697 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.582 MB LDB: TIME 3504.22 LOAD: AVG 0.117942 MAX 0.214697 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.582 MB LDB: TIME 3504.22 LOAD: AVG 0.117942 MAX 0.214697 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.582 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3504.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3504.22 PRESSURE: 1164400 128.481 44.3374 95.6806 44.3377 -24.3287 -39.6678 95.6792 -39.6681 230.165 GPRESSURE: 1164400 118.854 -19.6648 81.0202 28.416 14.6184 -34.2818 150.915 -43.6952 301.471 PRESSAVG: 1164400 -21.7987 -19.1094 -31.3839 -19.1095 3.92783 0.132566 -31.384 0.132628 43.4363 GPRESSAVG: 1164400 -22.1091 -19.2461 -31.874 -21.6573 3.52841 -0.227494 -30.6005 1.20566 43.3445 TIMING: 1164400 CPU: 3501.01, 0.00309176/step Wall: 3501.01, 0.00309176/step, 3.2941 hours remaining, 207.644531 MB of memory in use. ENERGY: 1164400 744.8055 2031.2629 1928.8939 115.6536 -206104.9066 17886.7306 0.0000 0.0000 34164.4083 -149233.1518 298.3663 -183397.5601 -149133.9899 299.3254 111.4392 144.9810 555858.7232 8.5218 8.2546 PRESSURE: 1164600 -354.053 -148.986 -89.3664 -148.986 -181.643 1.95242 -89.3677 1.9525 145.886 GPRESSURE: 1164600 -326.861 -96.0029 -79.2815 -211.204 -119.164 11.5219 -87.0356 70.8889 141.381 PRESSAVG: 1164600 16.103 0.358147 55.9682 0.358253 -40.3494 -29.2636 55.9682 -29.2635 42.9004 GPRESSAVG: 1164600 14.023 -1.29423 54.265 3.59164 -40.3909 -29.2788 56.1033 -30.5479 45.0546 TIMING: 1164600 CPU: 3501.62, 0.0030608/step Wall: 3501.62, 0.0030608/step, 3.26094 hours remaining, 207.644531 MB of memory in use. ENERGY: 1164600 704.6131 2075.2995 1899.7830 118.9089 -205724.9113 17494.4606 0.0000 0.0000 34278.2406 -149153.6057 299.3604 -183431.8463 -149050.9528 299.8922 -129.9368 -101.5478 556796.5756 6.2180 6.2289 PRESSURE: 1164800 -136.004 12.6587 -76.5154 12.6579 185.966 10.6479 -76.5155 10.6487 63.5258 GPRESSURE: 1164800 -164.941 -83.7366 -41.5858 -9.08513 220.415 -44.8649 -30.6472 24.1555 161.807 PRESSAVG: 1164800 31.0353 -28.9418 37.311 -28.9418 -12.869 51.4282 37.311 51.4282 46.4162 GPRESSAVG: 1164800 30.5361 -27.6243 39.4529 -29.3369 -11.5608 52.6166 37.3175 52.9808 45.9371 TIMING: 1164800 CPU: 3502.23, 0.0030452/step Wall: 3502.23, 0.0030452/step, 3.24415 hours remaining, 207.644531 MB of memory in use. ENERGY: 1164800 749.3121 2090.0595 1937.0978 116.8075 -206790.5498 17948.4383 0.0000 0.0000 34546.8950 -149401.9396 301.7066 -183948.8346 -149309.4043 299.7923 37.8292 72.4269 555963.3640 21.5275 21.6375 PRESSURE: 1165000 -326.901 -12.9224 218.344 -12.9222 126.117 19.1318 218.344 19.1304 57.3874 GPRESSURE: 1165000 -216.721 -29.4065 234.383 -19.3067 84.362 33.3286 179.084 -78.656 84.4702 PRESSAVG: 1165000 -27.5248 9.17269 25.8782 9.1727 -7.56727 34.9678 25.8782 34.9679 60.9809 GPRESSAVG: 1165000 -25.284 9.03501 25.5123 7.09305 -8.56363 33.8714 24.3715 33.63 59.4822 TIMING: 1165000 CPU: 3502.83, 0.00303002/step Wall: 3502.83, 0.00303002/step, 3.22781 hours remaining, 207.644531 MB of memory in use. ENERGY: 1165000 735.2397 2113.8221 1933.9939 107.4221 -206119.4109 17934.1090 0.0000 0.0000 34042.8981 -149251.9260 297.3051 -183294.8241 -149162.3982 298.7388 -47.7990 -15.9628 558500.5827 8.6296 8.5449 PRESSURE: 1165200 -122.135 5.76952 -146.147 5.76841 -69.1278 -139.886 -146.147 -139.887 57.1176 GPRESSURE: 1165200 -99.1981 -69.1811 -148.679 -31.1071 37.88 -308.713 -137.091 -38.9206 40.0651 PRESSAVG: 1165200 -23.2875 -9.10149 15.1863 -9.10155 13.6048 14.7619 15.1863 14.7618 28.2605 GPRESSAVG: 1165200 -24.1064 -11.1153 15.4337 -7.81676 14.7583 15.135 15.5689 15.5623 28.2994 TIMING: 1165200 CPU: 3503.45, 0.00306087/step Wall: 3503.45, 0.00306087/step, 3.2605 hours remaining, 207.644531 MB of memory in use. ENERGY: 1165200 739.5588 2109.2854 1926.7952 119.9963 -206125.9481 17647.1567 0.0000 0.0000 34385.1233 -149198.0325 300.2938 -183583.1557 -149098.2967 298.6859 -44.7150 -7.0843 555797.6683 6.1926 6.3171 PRESSURE: 1165400 285.767 147.446 23.9761 147.447 -164.277 48.0274 23.9755 48.027 -30.7339 GPRESSURE: 1165400 324.686 112.458 29.0699 153.186 -135.572 -4.59373 -32.2267 23.9534 -8.12853 PRESSAVG: 1165400 22.1174 17.1025 -1.639 17.1025 -15.5325 26.3614 -1.639 26.3613 -24.1179 GPRESSAVG: 1165400 22.2335 17.039 -2.96847 18.4959 -16.4485 25.6704 -1.23795 25.5662 -23.5329 TIMING: 1165400 CPU: 3504.07, 0.00311652/step Wall: 3504.07, 0.00311652/step, 3.31962 hours remaining, 207.644531 MB of memory in use. ENERGY: 1165400 727.1291 2086.3193 1938.0176 103.3094 -206490.2362 17905.9010 0.0000 0.0000 34474.7614 -149254.7984 301.0767 -183729.5598 -149157.3309 299.4262 30.2518 60.3284 556301.4207 -5.8443 -5.9160 PRESSURE: 1165600 2.84532 -77.4543 81.581 -77.4544 -68.6704 -77.9669 81.5819 -77.9673 -37.9658 GPRESSURE: 1165600 -51.7181 -61.973 72.4683 -86.7652 13.6308 -7.19426 17.1313 -73.7509 34.4475 PRESSAVG: 1165600 35.7957 28.3727 5.9613 28.3728 -38.6669 22.5999 5.9612 22.6001 1.16987 GPRESSAVG: 1165600 34.4692 32.5519 7.01402 25.2763 -37.6748 23.7901 3.91138 22.2061 1.87558 TIMING: 1165600 CPU: 3504.68, 0.00307551/step Wall: 3504.68, 0.00307551/step, 3.27576 hours remaining, 207.644531 MB of memory in use. ENERGY: 1165600 749.7888 2055.2977 1933.7004 121.6281 -206102.4062 17869.3725 0.0000 0.0000 34298.1100 -149074.5086 299.5339 -183372.6186 -148975.5283 300.0949 -34.5969 -1.2133 559618.5571 -0.5671 -0.4433 PRESSURE: 1165800 173.843 -52.7031 -82.8492 -52.7021 91.5161 -9.02358 -82.8473 -9.02377 65.4338 GPRESSURE: 1165800 267.826 -73.192 -136.526 -49.2419 100.774 53.6993 -39.9465 18.8697 58.6161 PRESSAVG: 1165800 17.9281 -24.8756 45.7356 -24.8755 9.15687 11.4096 45.7357 11.4095 -1.17726 GPRESSAVG: 1165800 19.3249 -25.3636 45.7266 -23.0963 7.96159 12.5843 47.1413 11.6114 -1.76994 TIMING: 1165800 CPU: 3505.29, 0.00305253/step Wall: 3505.29, 0.00305253/step, 3.25111 hours remaining, 207.644531 MB of memory in use. ENERGY: 1165800 706.9770 2029.5885 1939.1320 117.4781 -205922.0735 17876.5258 0.0000 0.0000 34312.3843 -148939.9877 299.6586 -183252.3721 -148838.1333 300.2211 110.2643 142.4054 557915.6528 8.6359 8.5055 PRESSURE: 1166000 -197.176 59.7705 45.285 59.7712 -41.8005 -168.54 45.2858 -168.54 -94.824 GPRESSURE: 1166000 -264.817 110.382 40.032 49.6794 54.2913 -125.299 -8.44928 -139.785 -31.1252 PRESSAVG: 1166000 -8.39229 -12.0422 -4.64756 -12.0422 38.6192 4.48718 -4.64759 4.4872 -30.0741 GPRESSAVG: 1166000 -9.78041 -12.3192 -3.48909 -13.5691 40.4234 4.35547 -5.99331 4.26963 -30.5072 TIMING: 1166000 CPU: 3505.91, 0.00308991/step Wall: 3505.91, 0.00308991/step, 3.29075 hours remaining, 207.644531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1166000 749.9328 2054.5957 1947.9038 107.8365 -205593.9113 17465.9161 0.0000 0.0000 34179.1292 -149088.5971 298.4948 -183267.7264 -148997.1694 299.7098 -111.2667 -80.5503 558353.7148 0.0509 0.0453 PRESSURE: 1166200 -191.852 -58.1991 -60.0012 -58.1985 70.8859 64.1321 -60.0014 64.1312 -183.315 GPRESSURE: 1166200 -209.009 -9.62212 -39.0425 -113.228 109.337 117.373 -90.2542 5.76241 -97.86 PRESSAVG: 1166200 -43.2707 -11.0907 -14.7555 -11.0908 49.1892 -16.0041 -14.7554 -16.0041 9.93941 GPRESSAVG: 1166200 -43.7504 -12.3329 -13.5852 -10.7718 48.6584 -16.123 -13.6697 -15.3582 11.3354 TIMING: 1166200 CPU: 3506.53, 0.00306174/step Wall: 3506.53, 0.00306174/step, 3.26058 hours remaining, 207.644531 MB of memory in use. ENERGY: 1166200 740.8241 2072.5526 1956.0464 117.9297 -205792.4692 17728.9120 0.0000 0.0000 34165.5503 -149010.6540 298.3762 -183176.2043 -148918.5150 299.5885 -101.4269 -65.8439 560133.7212 5.2860 5.4144 PRESSURE: 1166400 16.044 -0.356673 -190.331 -0.356088 -45.1882 12.955 -190.33 12.9563 -40.6089 GPRESSURE: 1166400 40.6402 37.8144 -123.416 -28.7187 -17.6959 -33.5032 -258.273 -43.0539 7.22885 PRESSAVG: 1166400 28.6796 -16.7011 -32.4524 -16.7011 -31.4887 -23.7272 -32.4523 -23.7272 -15.4036 GPRESSAVG: 1166400 29.2903 -16.9709 -33.7472 -15.7432 -30.7458 -23.7314 -32.324 -24.0878 -16.35 TIMING: 1166400 CPU: 3507.14, 0.00306973/step Wall: 3507.14, 0.00306973/step, 3.26892 hours remaining, 207.644531 MB of memory in use. ENERGY: 1166400 731.5053 2080.3797 1947.7676 109.5820 -206000.3699 17929.2698 0.0000 0.0000 34283.0575 -148918.8079 299.4025 -183201.8654 -148810.2698 299.6930 -23.2510 10.0577 559682.8002 -6.0709 -5.9352 PRESSURE: 1166600 153.212 -67.9699 -41.771 -67.9699 8.57093 -96.4906 -41.7703 -96.4902 -120.148 GPRESSURE: 1166600 192.789 -45.1118 37.4255 -123.308 19.8714 -129.55 -53.4685 -47.2545 -93.0845 PRESSAVG: 1166600 -0.455161 -10.3662 -53.9551 -10.3662 -35.36 12.7066 -53.9551 12.7065 41.4386 GPRESSAVG: 1166600 -0.803558 -9.51725 -53.2732 -12.0163 -35.5262 11.3234 -55.1379 14.2001 41.7036 TIMING: 1166600 CPU: 3507.75, 0.00306664/step Wall: 3507.75, 0.00306664/step, 3.26546 hours remaining, 207.644531 MB of memory in use. ENERGY: 1166600 752.0956 2124.0774 1922.1387 106.2524 -205902.6094 17808.6058 0.0000 0.0000 34345.6131 -148843.8263 299.9488 -183189.4395 -148747.6629 300.2599 13.8781 39.8588 558555.9394 1.8745 1.7913 PRESSURE: 1166800 158.439 130.714 247.852 130.714 -140.744 -56.1338 247.853 -56.1341 -65.2241 GPRESSURE: 1166800 159.262 148.198 175.83 103.752 -119.869 -74.47 191.244 -1.80981 14.0765 PRESSAVG: 1166800 29.6602 -27.0731 41.8964 -27.073 -5.92589 47.0451 41.8963 47.0451 -48.3352 GPRESSAVG: 1166800 29.8708 -26.4097 41.4438 -25.2687 -5.64412 48.7611 43.2921 46.1949 -48.5974 TIMING: 1166800 CPU: 3508.36, 0.00303222/step Wall: 3508.36, 0.00303222/step, 3.22864 hours remaining, 207.644531 MB of memory in use. ENERGY: 1166800 762.1451 2140.0829 1924.8224 118.8128 -205824.3521 17721.5691 0.0000 0.0000 34331.6412 -148825.2787 299.8268 -183156.9199 -148736.3639 300.2298 -15.8433 17.8231 558746.3582 -8.2003 -8.1235 PRESSURE: 1167000 -29.1845 -88.0616 -169.025 -88.0606 -106.621 278.702 -169.025 278.701 83.8229 GPRESSURE: 1167000 -5.69066 -131.831 -235.085 -8.89439 -17.0607 315.031 -174.909 228.277 76.9637 PRESSAVG: 1167000 39.2426 -1.63543 -1.54916 -1.63532 -30.0823 46.9886 -1.54911 46.9886 10.754 GPRESSAVG: 1167000 39.7184 -4.0578 -3.15459 -0.661106 -31.1811 44.7421 -2.42903 49.377 11.4616 TIMING: 1167000 CPU: 3508.97, 0.00303524/step Wall: 3508.97, 0.00303524/step, 3.23168 hours remaining, 207.644531 MB of memory in use. ENERGY: 1167000 748.7100 2107.8861 1911.5568 121.0328 -206002.2368 17795.9307 0.0000 0.0000 34484.4700 -148832.6504 301.1615 -183317.1204 -148738.7156 300.3809 -17.3275 18.0708 559103.4631 6.6381 6.6663 PRESSURE: 1167200 25.0059 -53.3101 -34.6486 -53.3103 318.149 25.0316 -34.6497 25.0328 -254.678 GPRESSURE: 1167200 6.62298 -162.796 -66.6884 4.45789 368.765 0.0089239 -18.5266 -84.9227 -184.556 PRESSAVG: 1167200 -36.2193 20.2049 -66.3897 20.2049 48.7213 18.9326 -66.3897 18.9326 -54.6656 GPRESSAVG: 1167200 -35.7893 22.3851 -65.7161 19.0056 48.6707 19.7593 -65.3013 16.7577 -54.8592 TIMING: 1167200 CPU: 3509.58, 0.00305376/step Wall: 3509.58, 0.00305376/step, 3.25123 hours remaining, 207.644531 MB of memory in use. ENERGY: 1167200 736.0109 2106.2096 1940.2656 113.8903 -206180.4059 17904.0819 0.0000 0.0000 34476.0198 -148903.9278 301.0877 -183379.9476 -148805.7248 299.9062 29.4924 63.6107 558909.2035 -14.0545 -13.9926 PRESSURE: 1167400 19.8088 139.968 164.413 139.968 133.471 71.0957 164.412 71.0948 113.049 GPRESSURE: 1167400 5.27548 165.368 60.03 99.6749 181.154 145.886 246.997 29.128 183.805 PRESSAVG: 1167400 0.545165 28.3651 9.03985 28.3651 6.8472 -6.17027 9.03995 -6.17023 -6.89035 GPRESSAVG: 1167400 -0.647889 26.6714 9.20067 29.4433 8.18878 -4.68735 8.83419 -4.42662 -6.53248 TIMING: 1167400 CPU: 3510.19, 0.0030555/step Wall: 3510.19, 0.0030555/step, 3.25292 hours remaining, 207.644531 MB of memory in use. ENERGY: 1167400 753.1307 2136.7864 1940.1522 121.7610 -206063.6611 17933.1856 0.0000 0.0000 34190.4311 -148988.2142 298.5935 -183178.6453 -148894.7057 300.1366 88.7762 123.4115 560529.9014 0.1673 0.3361 PRESSURE: 1167600 -16.2553 63.3296 99.681 63.3291 -88.8933 -43.9118 99.6792 -43.9102 89.1484 GPRESSURE: 1167600 15.1296 36.8974 89.1325 34.6384 -35.0641 -61.4268 156.362 -87.8735 96.9521 PRESSAVG: 1167600 -49.1499 28.0749 14.6055 28.0748 -3.72539 22.0164 14.6055 22.0165 16.4006 GPRESSAVG: 1167600 -48.3648 29.5392 15.765 27.6612 -4.09357 20.443 13.319 21.6328 16.1905 TIMING: 1167600 CPU: 3510.79, 0.00302531/step Wall: 3510.79, 0.00302531/step, 3.22062 hours remaining, 207.644531 MB of memory in use. ENERGY: 1167600 744.2089 2118.0020 1918.9475 125.5580 -206069.5426 17905.2366 0.0000 0.0000 34202.7230 -149054.8666 298.7009 -183257.5896 -148962.6459 299.2214 -5.3334 25.6725 560028.6810 -12.1582 -12.0893 PRESSURE: 1167800 -239.494 -76.9813 118.94 -76.9828 -228.934 145.508 118.941 145.509 -264.993 GPRESSURE: 1167800 -179.783 12.7605 120.384 -98.54 -239.987 109.837 130.32 141.399 -227.738 PRESSAVG: 1167800 -4.23422 -8.04708 -5.49787 -8.0471 -33.9103 8.38779 -5.49791 8.3877 18.6674 GPRESSAVG: 1167800 -2.94642 -8.61483 -6.6494 -8.52291 -34.5923 8.96952 -4.79269 6.29195 17.8057 TIMING: 1167800 CPU: 3511.4, 0.003053/step Wall: 3511.4, 0.003053/step, 3.24992 hours remaining, 207.644531 MB of memory in use. ENERGY: 1167800 753.0031 2104.7737 1934.7813 110.9257 -206056.8105 17601.4374 0.0000 0.0000 34466.4785 -149085.4107 301.0043 -183551.8892 -148990.1236 299.5983 -244.4736 -215.8360 558100.9659 -6.4924 -6.5777 PRESSURE: 1168000 -160.312 93.3563 -0.958622 93.3564 240.247 32.3681 -0.958138 32.3675 98.3619 GPRESSURE: 1168000 -119.057 58.1263 -53.902 120.506 246.73 46.1658 -3.41683 67.7173 138.012 PRESSAVG: 1168000 -65.4613 -29.3865 -2.2128 -29.3865 -5.26939 -7.6907 -2.21281 -7.69061 61.465 GPRESSAVG: 1168000 -67.4883 -30.6493 -0.341459 -29.1497 -5.65465 -6.50807 -3.34552 -7.23845 64.0612 TIMING: 1168000 CPU: 3512.01, 0.00304186/step Wall: 3512.01, 0.00304186/step, 3.2379 hours remaining, 207.644531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1168000 746.0568 2059.2234 1932.3471 115.1412 -206332.3531 17845.9003 0.0000 0.0000 34428.7516 -149204.9327 300.6749 -183633.6843 -149097.5142 299.7871 59.4321 88.5613 557087.7705 -3.0885 -3.0272 PRESSURE: 1168200 442.916 118.736 -20.8843 118.737 -136.727 -53.953 -20.8849 -53.9552 -2.69686 GPRESSURE: 1168200 479.145 167.352 -2.17715 70.0931 -85.2101 -26.9465 7.17263 49.2507 9.25126 PRESSAVG: 1168200 4.80793 -1.43853 -12.6498 -1.43856 -63.5547 4.0165 -12.6499 4.01641 86.8182 GPRESSAVG: 1168200 4.99775 0.761171 -14.0978 -1.94804 -61.969 2.89564 -10.6674 5.13832 84.635 TIMING: 1168200 CPU: 3512.62, 0.00305127/step Wall: 3512.62, 0.00305127/step, 3.24774 hours remaining, 207.644531 MB of memory in use. ENERGY: 1168200 782.9955 2083.8683 1938.6107 121.8809 -206470.3873 17985.7676 0.0000 0.0000 34362.8589 -149194.4054 300.0994 -183557.2643 -149104.0521 299.4083 101.1641 134.3955 556828.0899 9.3572 9.2213 LDB: ============= START OF LOAD BALANCING ============== 3516.14 LDB: ============== END OF LOAD BALANCING =============== 3516.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3516.15 LDB: ============= START OF LOAD BALANCING ============== 3516.45 LDB: Largest compute 4794 load 0.025666 is 21.8% of average load 0.117864 LDB: Average compute 0.001741 is 1.5% of average load 0.117864 LDB: TIME 3516.46 LOAD: AVG 0.117864 MAX 0.21533 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.676 MB LDB: TIME 3516.46 LOAD: AVG 0.117864 MAX 0.21533 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.742 MB LDB: TIME 3516.46 LOAD: AVG 0.117864 MAX 0.21533 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.742 MB LDB: ============== END OF LOAD BALANCING =============== 3516.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3516.46 PRESSURE: 1168400 152.909 -116.575 -10.4612 -116.576 196.998 52.8486 -10.4608 52.8483 23.5296 GPRESSURE: 1168400 166.372 -113.434 -72.7457 -224.524 243.437 47.212 58.9289 63.8215 65.6923 PRESSAVG: 1168400 14.8773 18.9747 -3.32519 18.9747 -60.2308 54.757 -3.3251 54.7568 65.18 GPRESSAVG: 1168400 15.5372 18.1608 -5.50612 18.5382 -62.1784 56.5314 -4.81491 54.8732 65.9097 TIMING: 1168400 CPU: 3513.25, 0.00311528/step Wall: 3513.25, 0.00311528/step, 3.31569 hours remaining, 207.140625 MB of memory in use. ENERGY: 1168400 741.8345 2145.4446 1935.8491 112.9237 -206484.1458 18044.2424 0.0000 0.0000 34227.6041 -149276.2473 298.9182 -183503.8514 -149174.5797 299.3530 124.4787 158.5005 557251.6348 6.6088 6.4228 PRESSURE: 1168600 -263.938 68.2509 32.5004 68.2516 -88.0616 -47.3268 32.5021 -47.3266 355.96 GPRESSURE: 1168600 -213.625 58.6674 34.973 138.641 -35.9752 -31.8469 -12.4961 -47.024 336.559 PRESSAVG: 1168600 2.65296 -49.0869 1.99368 -49.0868 -26.5948 -39.9527 1.99373 -39.9527 52.4025 GPRESSAVG: 1168600 2.36242 -49.1462 5.694 -48.5152 -25.7292 -41.2041 0.802126 -39.3724 51.528 TIMING: 1168600 CPU: 3513.86, 0.00306751/step Wall: 3513.86, 0.00306751/step, 3.26468 hours remaining, 207.140625 MB of memory in use. ENERGY: 1168600 771.4995 2101.6967 1928.6634 104.5111 -206315.8575 17663.6971 0.0000 0.0000 34444.6388 -149301.1511 300.8136 -183745.7898 -149214.1384 299.5362 1.3203 28.9861 558164.1537 9.4869 9.3871 PRESSURE: 1168800 62.0676 -142.356 154.686 -142.356 -0.616166 166.76 154.686 166.761 56.5402 GPRESSURE: 1168800 108.624 -119.893 129.656 -124.411 29.797 65.6195 117.944 259.529 93.5885 PRESSAVG: 1168800 40.6569 1.08486 -11.5266 1.08491 -59.0303 14.8343 -11.5265 14.8343 31.5281 GPRESSAVG: 1168800 41.866 1.29553 -13.3435 2.84141 -59.1116 14.9257 -9.52991 11.8087 30.5793 TIMING: 1168800 CPU: 3514.47, 0.00306061/step Wall: 3514.47, 0.00306061/step, 3.25717 hours remaining, 207.140625 MB of memory in use. ENERGY: 1168800 739.8147 2079.1366 1926.3099 123.6803 -206632.3174 17944.8737 0.0000 0.0000 34386.1575 -149432.3447 300.3029 -183818.5022 -149335.7538 299.2970 39.3306 77.3365 558304.7077 4.3849 4.4446 PRESSURE: 1169000 241.803 115.091 -26.7925 115.09 -217.581 87.3288 -26.7929 87.3284 -270.287 GPRESSURE: 1169000 285.787 104.842 23.8814 6.82776 -174.604 -22.4888 43.4588 222.896 -249.217 PRESSAVG: 1169000 59.3788 -71.3094 -74.8971 -71.3094 -60.625 26.9569 -74.8971 26.9569 -16.9308 GPRESSAVG: 1169000 57.858 -71.4389 -72.3068 -71.7187 -59.772 26.34 -77.515 28.3193 -16.416 TIMING: 1169000 CPU: 3515.08, 0.00305592/step Wall: 3515.08, 0.00305592/step, 3.25201 hours remaining, 207.140625 MB of memory in use. ENERGY: 1169000 745.7174 2083.8289 1949.4231 115.6411 -206208.5407 17695.6545 0.0000 0.0000 34125.0038 -149493.2719 298.0221 -183618.2757 -149397.1208 299.3796 -82.0218 -46.0112 557640.9820 -6.0590 -6.1100 PRESSURE: 1169200 -0.331932 71.4671 -31.0666 71.4676 210.896 164.859 -31.0659 164.859 107.379 GPRESSURE: 1169200 14.7489 96.0312 -34.987 139.418 263.436 253.026 -60.4921 102.538 141.43 PRESSAVG: 1169200 49.5723 21.728 -9.64559 21.7281 41.1175 15.4113 -9.64555 15.4113 -82.0793 GPRESSAVG: 1169200 47.9283 22.6731 -11.0311 19.5403 41.1025 14.8101 -6.57881 16.0507 -81.5211 TIMING: 1169200 CPU: 3515.69, 0.00302886/step Wall: 3515.69, 0.00302886/step, 3.22305 hours remaining, 207.140625 MB of memory in use. ENERGY: 1169200 736.7895 2078.9007 1958.0303 114.2517 -206729.8965 18048.1374 0.0000 0.0000 34324.5792 -149469.2076 299.7651 -183793.7868 -149371.3933 299.1050 105.9812 139.8719 556709.6532 2.8702 2.5032 PRESSURE: 1169400 -237.338 33.1423 33.7398 33.1429 151.785 20.014 33.7403 20.014 -14.93 GPRESSURE: 1169400 -187.73 -49.8999 -25.92 84.3004 165.656 15.5454 128.64 63.0881 20.8369 PRESSAVG: 1169400 51.5287 56.0758 5.68751 56.0759 -85.6182 26.6885 5.6875 26.6886 25.0897 GPRESSAVG: 1169400 52.1931 55.3025 4.84197 56.1347 -86.1908 28.2823 5.95773 25.5584 25.2613 TIMING: 1169400 CPU: 3516.3, 0.00303817/step Wall: 3516.3, 0.00303817/step, 3.23279 hours remaining, 207.140625 MB of memory in use. ENERGY: 1169400 753.9795 2056.2946 1945.3616 116.8697 -206294.3432 17795.4948 0.0000 0.0000 34299.2427 -149327.1003 299.5438 -183626.3430 -149224.9959 299.6600 -33.4946 -0.4123 556508.6249 -2.9999 -2.9121 PRESSURE: 1169600 -142.37 83.7721 65.8314 83.7726 -185.389 -5.69357 65.8316 -5.69161 -351.474 GPRESSURE: 1169600 -59.6347 80.8608 128.877 28.742 -164.068 -25.4157 -50.1294 -99.7332 -349.609 PRESSAVG: 1169600 -46.462 23.7101 11.1218 23.71 10.1398 1.08639 11.1218 1.0864 48.3622 GPRESSAVG: 1169600 -45.9162 23.7605 12.2442 25.3824 9.4333 -0.899289 8.64536 2.1726 48.4639 TIMING: 1169600 CPU: 3516.9, 0.00304029/step Wall: 3516.9, 0.00304029/step, 3.23487 hours remaining, 207.140625 MB of memory in use. ENERGY: 1169600 769.3448 2038.3540 1961.7855 108.1725 -205576.7247 17418.3462 0.0000 0.0000 34126.7926 -149153.9290 298.0378 -183280.7216 -149056.7060 299.7129 -226.4114 -191.1038 556956.7398 4.0133 3.9937 PRESSURE: 1169800 -46.8798 18.4519 -83.1935 18.4519 -25.8456 106.682 -83.1934 106.681 -58.0513 GPRESSURE: 1169800 -0.669686 103.826 -42.0392 -76.9486 1.47564 162.257 -187.839 74.4804 -29.3264 PRESSAVG: 1169800 4.27357 7.61791 75.695 7.61788 4.03446 11.1406 75.6951 11.1406 -24.7554 GPRESSAVG: 1169800 3.33203 7.12721 75.965 9.05271 4.96959 14.5366 75.2938 9.95807 -24.5367 TIMING: 1169800 CPU: 3517.51, 0.00302544/step Wall: 3517.51, 0.00302544/step, 3.2189 hours remaining, 207.140625 MB of memory in use. ENERGY: 1169800 743.4515 2086.7177 1969.6729 105.4123 -206175.2413 17741.2128 0.0000 0.0000 34418.4035 -149110.3706 300.5845 -183528.7741 -149014.7139 299.4265 -43.5922 -9.5068 556081.9306 -5.4824 -5.4117 PRESSURE: 1170000 -38.1185 -121.683 129.764 -121.683 123.572 -17.0315 129.764 -17.0323 45.427 GPRESSURE: 1170000 -18.1021 -37.0615 147.98 -132.088 147.688 12.3444 105.548 67.0317 105.323 PRESSAVG: 1170000 -22.0652 -27.8101 88.807 -27.8101 -11.8944 43.4952 88.807 43.4952 5.89999 GPRESSAVG: 1170000 -21.2058 -27.5053 87.4673 -28.5771 -12.5619 41.4759 91.2859 44.2874 6.17115 TIMING: 1170000 CPU: 3518.11, 0.0030255/step Wall: 3518.11, 0.0030255/step, 3.21879 hours remaining, 207.140625 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: 1170000 782.4277 2080.7528 1955.1882 99.4931 -205980.8120 17824.9661 0.0000 0.0000 34269.6273 -148968.3568 299.2852 -183237.9841 -148871.4046 299.5576 43.6267 78.3029 556940.3555 -9.3532 -9.1989 PRESSURE: 1170200 180.952 161.779 -27.9892 161.777 152.832 11.2523 -27.9884 11.251 424.3 GPRESSURE: 1170200 224.209 109.332 24.5207 240.105 195.802 17.873 -28.5831 5.74174 431.54 PRESSAVG: 1170200 11.1034 -30.0861 44.5602 -30.0862 -0.199099 5.00355 44.5602 5.00364 24.7904 GPRESSAVG: 1170200 11.0414 -28.6194 45.4955 -31.1164 0.224721 2.77103 42.4821 5.8259 24.3786 TIMING: 1170200 CPU: 3518.72, 0.00305591/step Wall: 3518.72, 0.00305591/step, 3.25097 hours remaining, 207.140625 MB of memory in use. ENERGY: 1170200 701.6586 2135.8056 1946.6171 109.8169 -206487.2564 17982.2077 0.0000 0.0000 34536.9499 -149074.2006 301.6198 -183611.1505 -148973.3117 299.9030 252.6945 283.8506 556494.6875 11.8982 11.8816 PRESSURE: 1170400 82.2338 95.4968 -81.3467 95.4967 258.9 -63.5476 -81.3464 -63.5478 162.98 GPRESSURE: 1170400 109.552 3.825 -63.143 158.245 281.133 -73.1161 -71.5829 -2.36423 214.831 PRESSAVG: 1170400 -22.6368 3.97454 -3.05297 3.97456 0.101251 21.0352 -3.0529 21.0351 -27.2354 GPRESSAVG: 1170400 -22.7885 2.42315 -3.2612 5.09956 -0.416388 21.831 -1.74263 20.4201 -26.879 TIMING: 1170400 CPU: 3519.34, 0.00305738/step Wall: 3519.34, 0.00305738/step, 3.25237 hours remaining, 207.140625 MB of memory in use. ENERGY: 1170400 741.7202 2108.6728 1941.8280 114.4074 -206315.2187 17964.6253 0.0000 0.0000 34586.4501 -148857.5150 302.0521 -183443.9651 -148761.4415 299.9642 168.0382 201.8389 557161.1994 -16.5903 -16.6946 PRESSURE: 1170600 6.49104 -157.796 258.841 -157.795 37.6093 -33.7056 258.842 -33.7075 68.0013 GPRESSURE: 1170600 51.3058 -176.43 242.14 -98.0257 111.194 -63.2473 229.865 29.4307 53.3633 PRESSAVG: 1170600 13.8862 -45.5644 69.2264 -45.5643 -9.09435 13.7708 69.2264 13.7707 -1.89468 GPRESSAVG: 1170600 13.7482 -45.4908 70.172 -45.4585 -8.81992 14.9529 68.3625 12.4563 -2.69824 TIMING: 1170600 CPU: 3519.95, 0.00307315/step Wall: 3519.95, 0.00307315/step, 3.26898 hours remaining, 207.140625 MB of memory in use. ENERGY: 1170600 756.4791 2124.7534 1928.9111 115.7742 -206344.6596 17845.1691 0.0000 0.0000 34557.0294 -149016.5434 301.7951 -183573.5728 -148913.1435 300.2920 37.3672 71.9545 557556.1253 0.9657 0.7433 PRESSURE: 1170800 -103.323 9.78251 49.5785 9.78093 -110.669 63.1716 49.5777 63.1715 -92.9698 GPRESSURE: 1170800 -130.316 82.1348 91.5061 -28.7082 -41.6847 39.1151 12.2719 76.04 -33.7622 PRESSAVG: 1170800 -10.3505 16.8972 72.1303 16.8972 22.0065 36.6621 72.1302 36.6619 -0.545194 GPRESSAVG: 1170800 -10.0516 18.287 72.1473 14.5252 22.6691 37.0067 72.757 36.9719 -1.02093 TIMING: 1170800 CPU: 3520.56, 0.00304658/step Wall: 3520.56, 0.00304658/step, 3.24054 hours remaining, 207.140625 MB of memory in use. ENERGY: 1170800 766.6585 2085.9902 1966.8387 109.7186 -205911.5944 17740.1822 0.0000 0.0000 34160.6433 -149081.5629 298.3334 -183242.2062 -148980.2311 299.4792 -102.3209 -68.5876 558415.9015 3.7036 3.8655 PRESSURE: 1171000 -12.0312 -48.8435 -145.861 -48.8442 174.139 171.39 -145.861 171.388 -95.7223 GPRESSURE: 1171000 -18.0711 -93.5832 -94.6408 -57.539 156.15 240.191 -178.529 94.5151 21.0454 PRESSAVG: 1171000 -7.65265 -10.9765 -14.8061 -10.9765 2.32059 29.5909 -14.8062 29.591 16.2314 GPRESSAVG: 1171000 -10.0107 -12.2014 -14.9829 -9.23042 3.72483 29.2025 -13.2777 28.6771 16.3066 TIMING: 1171000 CPU: 3521.16, 0.00302234/step Wall: 3521.16, 0.00302234/step, 3.21459 hours remaining, 207.140625 MB of memory in use. ENERGY: 1171000 741.8239 2078.7267 1935.2224 114.6596 -206137.0466 17838.4555 0.0000 0.0000 34382.2118 -149045.9467 300.2684 -183428.1585 -148945.8869 299.6155 22.1285 53.0414 556852.3039 3.6331 3.3402 PRESSURE: 1171200 -63.4078 73.6963 -31.1441 73.6949 -144.208 214.186 -31.143 214.186 -262.715 GPRESSURE: 1171200 -48.0581 105.387 -3.99718 60.5259 -154.541 120.643 9.23297 253.316 -181.537 PRESSAVG: 1171200 -56.7845 41.8826 -44.1786 41.8826 50.0151 -6.73896 -44.1786 -6.73894 3.34799 GPRESSAVG: 1171200 -55.6865 42.2428 -44.6327 40.1219 47.5866 -6.15034 -45.3388 -5.05639 3.58801 TIMING: 1171200 CPU: 3521.77, 0.0030088/step Wall: 3521.77, 0.0030088/step, 3.20003 hours remaining, 207.140625 MB of memory in use. ENERGY: 1171200 767.5016 2099.2203 1957.4233 101.0951 -206062.6705 17692.8841 0.0000 0.0000 34312.0033 -149132.5427 299.6553 -183444.5461 -149031.5467 300.1037 -156.7769 -128.0453 558001.9963 -1.1405 -1.5039 PRESSURE: 1171400 -152.403 -44.7152 28.6014 -44.7152 -39.4547 -21.6935 28.6028 -21.6942 -173.891 GPRESSURE: 1171400 -123.085 0.372396 14.8029 -75.7622 42.688 -100.872 112.873 10.8343 -192.472 PRESSAVG: 1171400 -36.7161 -26.0369 -95.5056 -26.0369 71.7372 -3.67657 -95.5056 -3.67643 -76.6911 GPRESSAVG: 1171400 -36.2616 -27.3876 -95.5806 -25.5501 72.1222 -4.05953 -96.286 -4.30671 -77.8779 TIMING: 1171400 CPU: 3522.37, 0.00302381/step Wall: 3522.37, 0.00302381/step, 3.21582 hours remaining, 207.140625 MB of memory in use. ENERGY: 1171400 765.0915 2110.6878 1955.4851 115.0026 -206069.1353 17577.5423 0.0000 0.0000 34349.0163 -149196.3097 299.9785 -183545.3260 -149096.4136 299.5233 -121.9162 -90.9563 557022.1343 -13.8900 -14.0058 PRESSURE: 1171600 -9.26349 163.872 -19.8115 163.873 66.4288 44.684 -19.8122 44.6846 -270.595 GPRESSURE: 1171600 9.74719 167.822 -69.8489 131.939 122.2 25.3587 -78.4334 -1.76051 -239.953 PRESSAVG: 1171600 10.5993 -6.74486 -65.6537 -6.74493 21.7248 28.0525 -65.6538 28.0526 -23.9535 GPRESSAVG: 1171600 10.9317 -4.93646 -65.564 -6.06596 21.7865 27.8624 -65.2898 27.8117 -23.7793 TIMING: 1171600 CPU: 3522.98, 0.00302166/step Wall: 3522.98, 0.00302166/step, 3.21337 hours remaining, 207.140625 MB of memory in use. ENERGY: 1171600 750.8599 2111.5753 1897.4973 111.7103 -206373.8919 17931.3655 0.0000 0.0000 34431.5266 -149139.3568 300.6991 -183570.8834 -149045.4049 299.3606 -71.1431 -36.0019 558621.9921 2.7902 2.9796 PRESSURE: 1171800 117.534 106.358 -122.938 106.359 -15.8154 -36.5676 -122.94 -36.5669 -107.107 GPRESSURE: 1171800 160.453 -38.236 -37.9321 120.276 -35.174 -76.9565 -224.341 43.0725 -25.8937 PRESSAVG: 1171800 8.48341 24.0677 -53.737 24.0676 28.9258 63.8855 -53.737 63.8855 -51.0685 GPRESSAVG: 1171800 8.53295 23.0638 -52.7524 24.796 29.3235 63.448 -53.9252 64.7351 -50.77 TIMING: 1171800 CPU: 3523.58, 0.00303242/step Wall: 3523.58, 0.00303242/step, 3.22464 hours remaining, 207.140625 MB of memory in use. ENERGY: 1171800 753.9803 2080.4806 1950.0432 115.3757 -206014.6830 17843.0805 0.0000 0.0000 34103.0959 -149168.6269 297.8308 -183271.7229 -149077.4031 299.6225 -1.7963 33.1284 559166.2191 -4.5531 -4.3045 PRESSURE: 1172000 -40.2798 78.8852 -19.3634 78.8869 -235.681 -60.4967 -19.3622 -60.4961 -79.4408 GPRESSURE: 1172000 -10.6448 20.9336 -71.3003 143.597 -205.732 23.107 11.7105 -118.143 -30.4462 PRESSAVG: 1172000 17.2077 -34.0744 0.726475 -34.0744 19.8599 -25.6175 0.726437 -25.6176 -38.7257 GPRESSAVG: 1172000 17.0139 -34.2836 -1.33553 -33.1982 18.9193 -24.9516 1.65246 -27.0577 -37.5995 TIMING: 1172000 CPU: 3524.19, 0.00303288/step Wall: 3524.19, 0.00303288/step, 3.22496 hours remaining, 207.140625 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: 1172000 694.7627 2028.5253 1910.4525 105.6549 -205647.6342 17535.3838 0.0000 0.0000 34033.9999 -149338.8551 297.2274 -183372.8551 -149237.0805 298.8376 -118.4671 -82.2743 558442.9885 -0.5527 -0.5554 PRESSURE: 1172200 -61.7471 -13.3811 -20.0332 -13.3817 -209.329 74.4971 -20.0326 74.4968 -192.858 GPRESSURE: 1172200 -4.2412 5.21906 -69.2089 -7.53396 -231.719 50.396 -26.6206 101.089 -143.61 PRESSAVG: 1172200 13.1551 15.6731 -36.2072 15.673 0.844573 22.4305 -36.2071 22.4305 3.79092 GPRESSAVG: 1172200 13.6034 15.6186 -35.0174 14.0749 0.636514 20.7254 -36.7893 23.974 3.8579 TIMING: 1172200 CPU: 3524.8, 0.00303735/step Wall: 3524.8, 0.00303735/step, 3.22955 hours remaining, 207.140625 MB of memory in use. ENERGY: 1172200 779.6817 2026.1570 1927.9463 119.4153 -206449.6939 17743.7624 0.0000 0.0000 34364.0050 -149488.7261 300.1094 -183852.7311 -149396.1512 297.9172 -154.6447 -126.5235 557990.1521 5.9302 6.0326 LDB: ============= START OF LOAD BALANCING ============== 3528.32 LDB: ============== END OF LOAD BALANCING =============== 3528.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3528.32 LDB: ============= START OF LOAD BALANCING ============== 3528.63 LDB: Largest compute 4795 load 0.025756 is 21.9% of average load 0.117877 LDB: Average compute 0.001739 is 1.5% of average load 0.117877 LDB: TIME 3528.63 LOAD: AVG 0.117877 MAX 0.213839 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.684 MB LDB: TIME 3528.63 LOAD: AVG 0.117877 MAX 0.213839 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.887 MB LDB: TIME 3528.63 LOAD: AVG 0.117877 MAX 0.213839 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.887 MB LDB: ============== END OF LOAD BALANCING =============== 3528.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3528.64 PRESSURE: 1172400 -33.1345 26.6712 -75.545 26.6719 -61.4468 116.493 -75.544 116.493 -436.09 GPRESSURE: 1172400 28.7933 -7.61121 -60.5514 -5.62745 -63.5821 151.956 25.0188 51.893 -395.773 PRESSAVG: 1172400 54.4812 18.8777 -44.9973 18.8777 -37.9429 -1.01421 -44.9974 -1.01419 -13.7476 GPRESSAVG: 1172400 54.356 19.2216 -44.4068 18.2421 -37.5912 2.22118 -46.1663 -3.14138 -13.6316 TIMING: 1172400 CPU: 3525.42, 0.00312395/step Wall: 3525.42, 0.00312395/step, 3.32145 hours remaining, 209.714844 MB of memory in use. ENERGY: 1172400 757.2339 2064.7931 1954.2334 114.8765 -205849.3585 17449.9355 0.0000 0.0000 34134.4954 -149373.7907 298.1050 -183508.2861 -149275.8189 298.3200 -176.8904 -143.5207 558576.7295 0.9303 1.0444 PRESSURE: 1172600 -267.53 62.7362 6.768 62.7357 -116.52 42.871 6.76747 42.8712 216.101 GPRESSURE: 1172600 -193.507 70.8845 102.332 60.5574 -86.6273 10.8615 -35.349 94.0796 203.202 PRESSAVG: 1172600 66.2828 30.1233 24.2257 30.1231 0.884428 47.3073 24.2256 47.3072 -58.6355 GPRESSAVG: 1172600 64.944 29.2805 23.0933 32.8333 0.198636 45.6582 25.3362 48.0958 -56.5383 TIMING: 1172600 CPU: 3526.02, 0.00300069/step Wall: 3526.02, 0.00300069/step, 3.19023 hours remaining, 209.714844 MB of memory in use. ENERGY: 1172600 766.2068 2032.3425 1945.6139 112.7462 -206497.1774 17851.1664 0.0000 0.0000 34317.8263 -149471.2753 299.7061 -183789.1016 -149374.2896 298.9443 -55.9831 -25.6440 557509.6534 2.8439 2.8681 PRESSURE: 1172800 -72.0941 58.5549 58.9471 58.5568 112.965 -72.6746 58.9476 -72.6768 -147.244 GPRESSURE: 1172800 -18.644 -2.81056 57.0857 83.515 161.318 -179.237 60.6796 -25.7476 -154.735 PRESSAVG: 1172800 -33.2025 -7.06655 39.2298 -7.06652 46.0335 35.409 39.2297 35.4091 -16.1248 GPRESSAVG: 1172800 -33.1033 -7.00201 39.1736 -8.40638 47.5782 33.9789 37.7787 36.8571 -18.1372 TIMING: 1172800 CPU: 3526.62, 0.00300343/step Wall: 3526.62, 0.00300343/step, 3.19298 hours remaining, 209.714844 MB of memory in use. ENERGY: 1172800 743.9237 2059.7539 1943.2573 113.1738 -206177.2685 17893.7938 0.0000 0.0000 34100.0175 -149323.3484 297.8039 -183423.3660 -149229.8117 298.6274 -35.4578 -4.0206 559939.5975 -1.0979 -1.2208 PRESSURE: 1173000 -110.003 -8.12131 88.2173 -8.12069 25.071 -6.89311 88.2172 -6.89331 193.552 GPRESSURE: 1173000 -59.851 -55.7847 153.966 -0.806445 -15.0093 110.578 36.0098 -53.0915 276.854 PRESSAVG: 1173000 -21.401 22.7851 -7.77679 22.7851 -3.29113 4.89503 -7.77668 4.89485 27.6644 GPRESSAVG: 1173000 -20.6904 23.8171 -8.84421 21.427 -3.67418 4.89989 -7.69843 5.62134 27.1753 TIMING: 1173000 CPU: 3527.23, 0.00301931/step Wall: 3527.23, 0.00301931/step, 3.2097 hours remaining, 209.714844 MB of memory in use. ENERGY: 1173000 706.8434 2091.6978 1937.6658 105.7133 -206244.3198 17911.6517 0.0000 0.0000 34308.3546 -149182.3933 299.6234 -183490.7479 -149084.3280 298.9314 36.2065 67.3313 558203.1590 0.9908 0.9369 PRESSURE: 1173200 227.292 35.9557 45.4836 35.9557 112.818 83.2017 45.4833 83.2005 34.2342 GPRESSURE: 1173200 245.024 24.8468 58.0219 94.187 149.627 22.8579 82.6511 11.4793 71.9905 PRESSAVG: 1173200 -55.6381 46.4414 -21.1521 46.4415 17.5004 -15.97 -21.152 -15.9699 30.9813 GPRESSAVG: 1173200 -56.2182 47.0567 -20.4731 46.5976 16.735 -13.95 -21.742 -18.0813 31.9649 TIMING: 1173200 CPU: 3527.83, 0.0030389/step Wall: 3527.83, 0.0030389/step, 3.23035 hours remaining, 209.714844 MB of memory in use. ENERGY: 1173200 759.3435 2074.9387 1945.8626 110.1204 -206652.8642 18110.3872 0.0000 0.0000 34395.6072 -149256.6045 300.3854 -183652.2117 -149155.8103 299.4864 124.7817 155.5473 556624.8670 -2.3855 -2.5061 PRESSURE: 1173400 40.337 73.7369 5.05144 73.7371 231.959 -29.6358 5.05218 -29.636 15.0122 GPRESSURE: 1173400 110.184 70.3469 -100.313 73.1831 244.874 -51.8499 -48.5405 -13.0727 24.5008 PRESSAVG: 1173400 6.30825 28.7251 37.7082 28.7252 38.6432 -22.5299 37.7082 -22.5299 -37.2564 GPRESSAVG: 1173400 6.76699 28.9062 36.5658 28.2837 39.8045 -23.5872 40.7549 -22.3203 -39.1565 TIMING: 1173400 CPU: 3528.44, 0.00304278/step Wall: 3528.44, 0.00304278/step, 3.2343 hours remaining, 209.714844 MB of memory in use. ENERGY: 1173400 727.8560 2105.4910 1925.9390 107.9459 -206321.7016 17806.3791 0.0000 0.0000 34337.2338 -149310.8567 299.8756 -183648.0905 -149221.3733 299.3565 95.7694 126.5195 556290.4806 2.5650 2.4717 PRESSURE: 1173600 -5.78626 -20.7945 -155.636 -20.7952 -466.824 -234.914 -155.637 -234.915 -164.439 GPRESSURE: 1173600 11.7315 22.4138 -187.491 -47.3487 -450.124 -210.218 -97.2843 -162.727 -93.5799 PRESSAVG: 1173600 -9.27634 17.829 -5.53639 17.829 -17.2472 -53.2825 -5.53635 -53.2826 33.1648 GPRESSAVG: 1173600 -9.5793 17.1907 -3.41829 18.5035 -17.6329 -52.0613 -6.2733 -53.2241 34.6019 TIMING: 1173600 CPU: 3529.04, 0.00299866/step Wall: 3529.04, 0.00299866/step, 3.18724 hours remaining, 209.714844 MB of memory in use. ENERGY: 1173600 790.0128 2091.8094 1922.0446 107.9844 -206146.7521 17725.7919 0.0000 0.0000 34201.1298 -149307.9793 298.6870 -183509.1091 -149214.1651 298.3054 -212.3497 -177.3242 558222.5796 2.2138 2.4632 PRESSURE: 1173800 221.733 -172.085 158.59 -172.085 -107.452 -137.785 158.59 -137.784 -176.337 GPRESSURE: 1173800 245.058 -164.113 62.6019 -92.2353 -81.2433 -179.619 168.659 -80.1646 -139.188 PRESSAVG: 1173800 3.71255 31.997 -1.9515 31.9971 12.4818 -27.5162 -1.95151 -27.5164 -12.2988 GPRESSAVG: 1173800 4.28788 30.3639 -2.71623 33.0728 11.9273 -27.5546 -2.11349 -26.3726 -12.3648 TIMING: 1173800 CPU: 3529.66, 0.00307496/step Wall: 3529.66, 0.00307496/step, 3.26817 hours remaining, 209.714844 MB of memory in use. ENERGY: 1173800 777.6342 2075.0942 1929.5313 105.8307 -206599.7393 18011.0896 0.0000 0.0000 34197.1935 -149503.3658 298.6526 -183700.5592 -149414.6606 297.8724 -20.6853 8.2091 559610.2934 1.2985 1.2835 PRESSURE: 1174000 -422.382 -34.5774 52.9719 -34.5767 77.8951 -111.378 52.9722 -111.377 -92.3124 GPRESSURE: 1174000 -402.449 -104.802 54.8973 -21.7801 150.979 -93.0827 69.8732 -133.687 -83.2265 PRESSAVG: 1174000 -57.0785 -59.7546 46.9231 -59.7546 -0.647185 -46.6586 46.923 -46.6586 -0.652152 GPRESSAVG: 1174000 -56.9484 -58.2944 46.2452 -59.965 -1.2638 -47.6984 46.4763 -46.1147 -0.104807 TIMING: 1174000 CPU: 3530.27, 0.00306125/step Wall: 3530.27, 0.00306125/step, 3.25343 hours remaining, 209.714844 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: 1174000 754.5832 2074.0795 1955.0132 119.2128 -205920.5867 17628.8261 0.0000 0.0000 33897.6343 -149491.2375 296.0365 -183388.8718 -149397.5397 298.0306 -145.5997 -111.5655 557154.5914 -19.4593 -19.4390 PRESSURE: 1174200 209.889 -65.3858 73.53 -65.3858 216.38 74.8478 73.5306 74.8471 47.4271 GPRESSURE: 1174200 199.456 -78.636 219.793 -115.262 278.476 79.7064 -34.4434 86.7234 93.6105 PRESSAVG: 1174200 -31.4178 -32.0499 -3.40684 -32.05 38.436 51.1126 -3.40687 51.1127 -10.4959 GPRESSAVG: 1174200 -30.9952 -31.4208 -2.22791 -32.3281 39.0932 50.9797 -4.39097 49.3841 -11.4381 TIMING: 1174200 CPU: 3530.89, 0.00309297/step Wall: 3530.89, 0.00309297/step, 3.28697 hours remaining, 209.714844 MB of memory in use. ENERGY: 1174200 739.3285 2082.1711 1941.9072 114.3623 -206646.8513 18127.3292 0.0000 0.0000 34156.4265 -149485.3266 298.2966 -183641.7530 -149391.8939 298.1513 157.8986 190.5144 555219.8415 -1.1593 -1.1134 PRESSURE: 1174400 178.157 44.0555 -91.9009 44.0562 166.358 -79.0205 -91.9015 -79.0205 181.455 GPRESSURE: 1174400 203.779 73.5766 -141.602 25.0403 188.757 -101.657 -119.313 -39.5506 222.162 PRESSAVG: 1174400 47.1181 -6.45279 32.9777 -6.45282 -26.6278 9.32286 32.9777 9.32286 26.567 GPRESSAVG: 1174400 47.0731 -7.80841 32.994 -4.85957 -26.3641 10.7247 31.9384 10.8273 26.6809 TIMING: 1174400 CPU: 3531.5, 0.00307796/step Wall: 3531.5, 0.00307796/step, 3.27084 hours remaining, 209.714844 MB of memory in use. ENERGY: 1174400 745.3623 2018.8789 1964.8674 120.4268 -206882.0622 18124.6420 0.0000 0.0000 34334.2264 -149573.6584 299.8493 -183907.8848 -149474.1210 298.8373 175.3232 204.8990 554660.6654 15.6858 15.7966 PRESSURE: 1174600 125.915 -65.842 -109.095 -65.8414 -7.95916 -180.349 -109.095 -180.35 -136.782 GPRESSURE: 1174600 202.398 -108.748 -96.4178 58.9525 6.62427 -202.611 -125.638 -218.159 -124.389 PRESSAVG: 1174600 66.209 -32.3823 8.76865 -32.3823 4.91344 -1.87824 8.76862 -1.87827 -48.6049 GPRESSAVG: 1174600 65.8564 -31.4694 10.4741 -33.7916 4.93059 -3.08048 9.67319 0.714495 -48.875 TIMING: 1174600 CPU: 3532.12, 0.00306212/step Wall: 3532.12, 0.00306212/step, 3.25384 hours remaining, 209.714844 MB of memory in use. ENERGY: 1174600 775.3344 2072.5009 1955.7649 114.9558 -206471.3821 17925.7688 0.0000 0.0000 34159.7836 -149467.2737 298.3259 -183627.0573 -149371.1559 298.5824 -6.2754 28.2110 556185.9968 7.5059 7.3040 PRESSURE: 1174800 124.322 76.8492 111.948 76.849 188.208 -30.4111 111.949 -30.4085 212.665 GPRESSURE: 1174800 136.006 65.023 124.422 45.2467 235.697 -45.4286 142.265 -51.658 260.386 PRESSAVG: 1174800 -43.1989 8.93331 67.5047 8.9333 20.1136 -10.8882 67.5047 -10.8883 24.9519 GPRESSAVG: 1174800 -41.9715 9.00905 64.8813 8.1412 19.6101 -10.7853 69.3455 -14.5386 24.5426 TIMING: 1174800 CPU: 3532.72, 0.00303712/step Wall: 3532.72, 0.00303712/step, 3.22711 hours remaining, 209.714844 MB of memory in use. ENERGY: 1174800 777.6897 2078.7724 1948.2525 114.5931 -206728.5925 18228.9974 0.0000 0.0000 34103.3668 -149476.9205 297.8332 -183580.2874 -149378.5524 298.7615 175.0647 210.6965 554499.4024 0.6222 0.7271 PRESSURE: 1175000 86.6971 -24.2249 -74.3537 -24.2242 -19.0464 -75.7482 -74.353 -75.7473 99.6965 GPRESSURE: 1175000 139.694 -105.975 -86.787 -21.6261 16.1818 -103.405 -100.464 -106.036 98.4816 PRESSAVG: 1175000 -10.1439 19.6574 47.0959 19.6575 -45.8735 -64.3391 47.0959 -64.339 77.3997 GPRESSAVG: 1175000 -10.7141 18.5824 47.7305 20.7934 -46.3758 -64.6479 46.2778 -61.595 77.8846 TIMING: 1175000 CPU: 3533.33, 0.00305435/step Wall: 3533.33, 0.00305435/step, 3.24525 hours remaining, 209.714844 MB of memory in use. ENERGY: 1175000 808.4378 2078.8040 1941.2430 120.0909 -206399.5689 17975.0087 0.0000 0.0000 34212.3228 -149263.6617 298.7847 -183475.9845 -149169.8762 299.2434 55.7824 84.7858 554763.8260 7.1274 6.9316 PRESSURE: 1175200 51.7441 -72.0794 -141.802 -72.0793 -138.238 52.2413 -141.802 52.2409 -228.317 GPRESSURE: 1175200 14.5686 -91.6944 -132.607 -121.836 -63.865 42.392 -92.4916 -45.4355 -159.829 PRESSAVG: 1175200 -18.6558 -35.1435 14.8898 -35.1435 19.5134 3.21714 14.8898 3.21711 -17.4309 GPRESSAVG: 1175200 -18.7807 -33.0811 13.6294 -35.1711 19.3057 4.68164 14.7041 -0.38943 -17.1038 TIMING: 1175200 CPU: 3533.94, 0.00302729/step Wall: 3533.94, 0.00302729/step, 3.21633 hours remaining, 209.714844 MB of memory in use. ENERGY: 1175200 733.8575 2123.5572 1925.2123 116.5677 -206221.0383 17703.5912 0.0000 0.0000 34395.4773 -149222.7750 300.3843 -183618.2523 -149125.1013 299.5223 -104.9368 -69.7084 556160.5841 -5.5244 -5.5263 PRESSURE: 1175400 35.1222 0.366981 78.7737 0.367371 -114.871 38.1789 78.7729 38.1778 23.0818 GPRESSURE: 1175400 63.0665 -86.6125 164.553 7.8667 -107.886 -58.9399 7.05611 72.4477 86.8575 PRESSAVG: 1175400 40.3425 14.1541 0.0288082 14.1541 -3.83688 -5.60991 0.0287671 -5.60995 1.65656 GPRESSAVG: 1175400 39.7599 12.9034 3.08447 14.1153 -3.95808 -5.47406 -1.12138 -5.76074 2.1982 TIMING: 1175400 CPU: 3534.54, 0.00302237/step Wall: 3534.54, 0.00302237/step, 3.21093 hours remaining, 209.714844 MB of memory in use. ENERGY: 1175400 736.2469 2132.7496 1928.9241 106.1644 -205959.3961 17680.4267 0.0000 0.0000 34196.5936 -149178.2908 298.6474 -183374.8844 -149076.2655 299.5883 -18.8889 14.0126 557005.4365 12.7207 12.6667 PRESSURE: 1175600 183.187 176.311 5.47794 176.314 -76.9759 -156.867 5.47836 -156.868 -158.569 GPRESSURE: 1175600 214.779 98.1535 3.0494 79.0159 -122.228 -171.246 -23.966 -124.41 -53.5251 PRESSAVG: 1175600 0.153142 30.5927 -16.4234 30.5928 -55.1067 36.3988 -16.4233 36.3987 51.7957 GPRESSAVG: 1175600 -0.469706 33.1323 -17.8506 28.8382 -54.7813 37.9112 -15.3701 37.1953 52.045 TIMING: 1175600 CPU: 3535.14, 0.00300425/step Wall: 3535.14, 0.00300425/step, 3.19152 hours remaining, 209.714844 MB of memory in use. ENERGY: 1175600 750.2747 2093.9162 1916.0624 113.4581 -206178.5612 17700.6382 0.0000 0.0000 34158.4493 -149445.7623 298.3142 -183604.2116 -149347.6557 298.6871 -17.4527 13.0087 556945.6943 -1.0526 -1.0687 PRESSURE: 1175800 42.0096 -144.428 141.283 -144.428 154.528 32.8852 141.282 32.8851 43.2029 GPRESSURE: 1175800 56.7521 -161.875 96.4784 -106.966 185.73 70.7967 196.417 31.8511 100.599 PRESSAVG: 1175800 -30.9829 -36.3202 39.0047 -36.3201 51.6349 -30.4547 39.0046 -30.4547 9.59845 GPRESSAVG: 1175800 -31.4763 -35.0008 38.3222 -34.0494 51.7267 -33.7771 39.1156 -30.4646 9.45302 TIMING: 1175800 CPU: 3535.75, 0.0030069/step Wall: 3535.75, 0.0030069/step, 3.19416 hours remaining, 209.714844 MB of memory in use. ENERGY: 1175800 711.4658 2136.0401 1924.5641 110.6904 -206356.6118 18119.6852 0.0000 0.0000 33938.9514 -149415.2148 296.3973 -183354.1662 -149324.6768 298.9573 79.9136 114.3604 557080.6484 10.0835 9.9011 PRESSURE: 1176000 -293.047 26.8445 -59.7697 26.8452 -172.754 36.2612 -59.7702 36.2611 -13.902 GPRESSURE: 1176000 -204.945 41.6279 18.6824 -10.6707 -165.071 -35.6396 -113.228 101.954 -15.2564 PRESSAVG: 1176000 -73.2913 6.18842 -8.30244 6.18839 36.4079 4.12685 -8.3025 4.12688 13.1595 GPRESSAVG: 1176000 -70.6923 4.22583 -8.25639 4.26215 36.1665 4.44594 -8.46579 4.30753 11.1484 TIMING: 1176000 CPU: 3536.36, 0.00305107/step Wall: 3536.36, 0.00305107/step, 3.24091 hours remaining, 209.714844 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: 1176000 741.5537 2108.5763 1963.5505 113.3265 -206108.0873 17699.2245 0.0000 0.0000 34160.0136 -149321.8422 298.3279 -183481.8558 -149225.4145 298.8130 -159.9010 -128.4240 558940.1102 -7.9080 -7.7925 PRESSURE: 1176200 110.177 -132.116 80.4344 -132.116 70.1461 -62.515 80.4341 -62.5136 -412.045 GPRESSURE: 1176200 147.23 -155.497 89.3049 12.8417 71.6444 3.75707 141.935 -92.6369 -353.707 PRESSAVG: 1176200 3.76106 -19.0229 37.23 -19.0229 83.8408 1.57292 37.2301 1.57296 -73.0558 GPRESSAVG: 1176200 3.42785 -17.3441 37.6896 -18.9085 83.4248 0.814426 36.2574 3.56452 -72.3038 TIMING: 1176200 CPU: 3536.96, 0.00303704/step Wall: 3536.96, 0.00303704/step, 3.22584 hours remaining, 209.714844 MB of memory in use. ENERGY: 1176200 737.6701 2130.1463 1899.7602 106.1025 -206386.1941 17878.8013 0.0000 0.0000 34453.6757 -149180.0381 300.8925 -183633.7137 -149092.2483 299.1598 -77.2406 -44.9440 557753.0405 4.8487 4.8496 LDB: ============= START OF LOAD BALANCING ============== 3540.48 LDB: ============== END OF LOAD BALANCING =============== 3540.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3540.48 LDB: ============= START OF LOAD BALANCING ============== 3540.79 LDB: Largest compute 4822 load 0.023985 is 20.3% of average load 0.117918 LDB: Average compute 0.001740 is 1.5% of average load 0.117918 LDB: TIME 3540.79 LOAD: AVG 0.117918 MAX 0.214263 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.742 MB LDB: TIME 3540.79 LOAD: AVG 0.117918 MAX 0.214263 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.742 MB LDB: TIME 3540.79 LOAD: AVG 0.117918 MAX 0.214263 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.742 MB LDB: ============== END OF LOAD BALANCING =============== 3540.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3540.8 PRESSURE: 1176400 -151.807 49.0447 191.936 49.0447 90.1651 100.887 191.935 100.888 8.89776 GPRESSURE: 1176400 -105.236 -16.3944 101.813 70.164 133.97 133.936 190.45 0.128553 10.2037 PRESSAVG: 1176400 59.2901 14.7353 0.682544 14.7353 -7.57718 11.7686 0.682529 11.7686 -52.9283 GPRESSAVG: 1176400 57.1833 14.3351 -1.36547 15.4357 -8.1407 14.0361 2.48139 9.31325 -50.4613 TIMING: 1176400 CPU: 3537.58, 0.00308272/step Wall: 3537.58, 0.00308272/step, 3.27419 hours remaining, 209.453125 MB of memory in use. ENERGY: 1176400 775.4485 2063.7148 1902.1032 120.8169 -206411.9917 17963.8027 0.0000 0.0000 34317.5386 -149268.5670 299.7036 -183586.1056 -149169.8308 300.4505 -17.5815 12.9791 557355.1351 -0.4051 -0.4729 PRESSURE: 1176600 373.728 -51.8111 -204.686 -51.8102 375.076 -65.7114 -204.686 -65.7111 414.643 GPRESSURE: 1176600 431.602 -44.2138 -197.862 -17.6584 399.021 -195.385 -157.112 -6.38177 431.232 PRESSAVG: 1176600 32.6681 34.1866 -37.3289 34.1867 -3.4071 -6.03765 -37.3289 -6.0376 -25.4452 GPRESSAVG: 1176600 34.3906 32.278 -36.8231 33.6685 -2.20918 -6.15119 -36.6859 -5.56785 -28.4332 TIMING: 1176600 CPU: 3538.19, 0.00304629/step Wall: 3538.19, 0.00304629/step, 3.23533 hours remaining, 209.656250 MB of memory in use. ENERGY: 1176600 728.7074 2125.4615 1906.7617 112.9415 -206693.7836 18259.4693 0.0000 0.0000 34391.2006 -149169.2417 300.3469 -183560.4423 -149070.0844 299.4732 387.8159 420.6186 555649.0720 1.2719 1.2494 PRESSURE: 1176800 80.6561 32.3423 -66.106 32.3424 200.965 83.1361 -66.1081 83.1343 43.9086 GPRESSURE: 1176800 131.054 3.99906 -4.90198 38.395 209.463 60.9886 -136.273 77.8124 85.068 PRESSAVG: 1176800 4.33911 48.2178 -88.7724 48.2177 47.1337 28.5129 -88.7724 28.513 -24.6297 GPRESSAVG: 1176800 4.03366 50.4121 -88.1002 47.5545 45.7437 26.5473 -90.9398 29.1335 -23.0174 TIMING: 1176800 CPU: 3538.8, 0.00306862/step Wall: 3538.8, 0.00306862/step, 3.25887 hours remaining, 209.656250 MB of memory in use. ENERGY: 1176800 740.1959 2126.7212 1925.6266 119.0473 -206337.4525 17918.2032 0.0000 0.0000 34335.4942 -149172.1642 299.8604 -183507.6584 -149077.5863 300.0526 108.5099 141.8619 556326.9775 8.9477 8.9200 PRESSURE: 1177000 -170.461 200.088 34.6694 200.088 -81.481 -58.6341 34.6699 -58.6338 -19.1695 GPRESSURE: 1177000 -127.079 209.211 49.6699 151.878 -67.7916 -76.8571 5.45332 -120.482 21.0271 PRESSAVG: 1177000 56.0505 73.4947 -29.2644 73.4946 -40.4195 -2.30829 -29.2644 -2.30827 -35.6227 GPRESSAVG: 1177000 55.4947 71.5198 -27.6663 74.0544 -39.6274 -2.00216 -28.8901 -4.02495 -36.2836 TIMING: 1177000 CPU: 3539.41, 0.00304756/step Wall: 3539.41, 0.00304756/step, 3.23633 hours remaining, 209.656250 MB of memory in use. ENERGY: 1177000 748.6697 2103.7009 1922.6626 115.8449 -205963.9014 17733.1592 0.0000 0.0000 34192.0763 -149147.7878 298.6079 -183339.8641 -149044.8927 299.6930 -90.3707 -57.9479 558102.4899 -6.6639 -6.8054 PRESSURE: 1177200 -220.377 53.4199 140.717 53.4201 -198.892 29.725 140.718 29.7241 -360.292 GPRESSURE: 1177200 -212.861 -1.56767 112.648 76.185 -152.403 134.486 182.368 -8.55585 -320.97 PRESSAVG: 1177200 10.0399 33.8798 15.7262 33.8796 -3.35498 -4.44233 15.7262 -4.44216 -8.89575 GPRESSAVG: 1177200 9.549 34.0197 14.0682 34.0403 -2.21231 -2.28972 16.7832 -3.80326 -9.48876 TIMING: 1177200 CPU: 3540.02, 0.00303516/step Wall: 3540.02, 0.00303516/step, 3.223 hours remaining, 209.656250 MB of memory in use. ENERGY: 1177200 748.0034 2076.7210 1942.8108 110.9008 -205798.2086 17534.0770 0.0000 0.0000 34431.9694 -148953.7262 300.7030 -183385.6956 -148862.3635 300.0310 -259.8537 -228.7448 557539.5128 -0.7370 -0.7174 PRESSURE: 1177400 341.605 39.8065 34.7354 39.8062 -94.5009 150.767 34.735 150.768 140.112 GPRESSURE: 1177400 338.469 37.2915 109.909 25.6964 -96.0719 161.221 12.9929 131.04 250.005 PRESSAVG: 1177400 20.8309 29.9815 53.8845 29.9816 29.2359 53.0636 53.8845 53.0637 23.475 GPRESSAVG: 1177400 21.1898 29.8401 56.1359 29.4005 28.0971 51.2224 52.4318 55.4106 24.2736 TIMING: 1177400 CPU: 3540.63, 0.00306491/step Wall: 3540.63, 0.00306491/step, 3.25443 hours remaining, 209.656250 MB of memory in use. ENERGY: 1177400 682.7857 2078.7161 1946.0969 108.6098 -206178.5849 17840.6839 0.0000 0.0000 34310.1810 -149211.5115 299.6393 -183521.6924 -149121.7691 299.5541 129.0721 164.1341 556361.6947 24.5139 24.5202 PRESSURE: 1177600 56.9642 -121.237 -215.503 -121.239 -27.1535 62.1291 -215.505 62.1295 -98.3674 GPRESSURE: 1177600 67.7093 -145.728 -214.929 -56.2029 29.9269 104.823 -162.855 16.1244 -71.2112 PRESSAVG: 1177600 48.9488 -45.598 17.2153 -45.598 -66.7547 -17.9174 17.2153 -17.9174 8.90975 GPRESSAVG: 1177600 49.8027 -45.3193 14.6287 -44.9953 -66.9056 -18.9181 17.4999 -19.1982 8.06248 TIMING: 1177600 CPU: 3541.24, 0.00305986/step Wall: 3541.24, 0.00305986/step, 3.24889 hours remaining, 209.656250 MB of memory in use. ENERGY: 1177600 746.5066 2105.3454 1937.7732 104.3081 -205884.4894 17685.2193 0.0000 0.0000 34291.4708 -149013.8660 299.4759 -183305.3368 -148918.1173 299.9356 -22.8522 8.8083 557288.1462 -2.9654 -3.0135 PRESSURE: 1177800 82.6766 45.004 87.4425 45.0039 -169.443 -109.335 87.4426 -109.335 -44.3035 GPRESSURE: 1177800 95.927 80.8941 66.8003 -5.49081 -137.414 -181.03 151.295 -109.891 1.86148 PRESSAVG: 1177800 16.528 16.4685 -22.6205 16.4686 -22.8257 66.3438 -22.6204 66.3439 8.17233 GPRESSAVG: 1177800 16.3892 15.8107 -23.0949 19.62 -22.3133 67.5148 -22.9098 66.3329 7.85273 TIMING: 1177800 CPU: 3541.85, 0.00303131/step Wall: 3541.85, 0.00303131/step, 3.21841 hours remaining, 209.656250 MB of memory in use. ENERGY: 1177800 764.9341 2110.4364 1933.0774 121.4091 -206052.0600 17731.9043 0.0000 0.0000 34566.8269 -148823.4718 301.8807 -183390.2986 -148724.7141 300.7001 -43.6900 -13.2084 557291.9821 0.6249 0.6429 PRESSURE: 1178000 -132.831 -104.755 -97.9027 -104.757 -70.9195 142.117 -97.9022 142.116 -177.963 GPRESSURE: 1178000 -101.617 -176.92 -81.478 -11.369 -48.2576 136.189 -161.985 235.361 -131.514 PRESSAVG: 1178000 -20.5531 -29.2397 64.5433 -29.2397 27.4953 16.4708 64.5434 16.4708 -2.63436 GPRESSAVG: 1178000 -19.9547 -26.5524 64.4878 -31.6837 28.3824 13.7914 65.1929 16.8814 -3.43505 TIMING: 1178000 CPU: 3542.45, 0.00299091/step Wall: 3542.45, 0.00299091/step, 3.17535 hours remaining, 209.656250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1178000 762.8681 2130.6271 1952.8997 121.1362 -205752.4353 17593.4101 0.0000 0.0000 34334.2959 -148857.1983 299.8499 -183191.4942 -148762.8078 300.7847 -127.2380 -93.7959 557991.7076 1.4359 1.6642 PRESSURE: 1178200 -268.736 165.836 -84.0278 165.836 -300.206 134.31 -84.0286 134.31 -283.428 GPRESSURE: 1178200 -246.316 189.8 -93.4416 148.409 -255.11 60.043 -46.1046 145.307 -243.315 PRESSAVG: 1178200 39.7741 -37.8013 -38.4539 -37.8013 -45.6765 71.4274 -38.454 71.4273 -7.37645 GPRESSAVG: 1178200 38.5854 -39.6263 -37.0023 -38.6342 -46.1821 72.803 -38.2157 71.3411 -5.95196 TIMING: 1178200 CPU: 3543.05, 0.00299808/step Wall: 3543.05, 0.00299808/step, 3.18279 hours remaining, 209.656250 MB of memory in use. ENERGY: 1178200 805.7021 2078.3827 1937.9315 115.7857 -205320.0737 17271.5997 0.0000 0.0000 34437.7609 -148672.9111 300.7535 -183110.6720 -148570.1144 301.3753 -284.1237 -248.2472 558026.7592 -4.4263 -4.5162 PRESSURE: 1178400 -253.063 -104 -82.5908 -103.999 -82.3879 -145.699 -82.5908 -145.699 -161.604 GPRESSURE: 1178400 -223.799 -60.659 -63.7171 -17.5522 -25.9679 -66.6093 -53.4688 -143.647 -143.347 PRESSAVG: 1178400 30.2136 -38.7649 -75.0878 -38.7649 -24.655 -43.0376 -75.0879 -43.0377 -8.30667 GPRESSAVG: 1178400 31.5607 -38.7719 -76.6015 -37.5248 -24.802 -41.5069 -75.9658 -43.8812 -9.73874 TIMING: 1178400 CPU: 3543.65, 0.00301894/step Wall: 3543.65, 0.00301894/step, 3.20477 hours remaining, 209.656250 MB of memory in use. ENERGY: 1178400 734.6792 2075.8067 1962.7532 108.1472 -205400.9009 17550.1591 0.0000 0.0000 34386.7092 -148582.6462 300.3077 -182969.3554 -148476.9200 301.1242 -165.6850 -131.0379 558833.9854 -0.9160 -0.9933 PRESSURE: 1178600 -105.078 -29.2112 25.4139 -29.211 42.4394 66.5391 25.4145 66.5385 -149.005 GPRESSURE: 1178600 -96.509 -25.6575 -25.1867 -12.8505 46.5315 46.5305 64.9832 66.4396 -61.4631 PRESSAVG: 1178600 -22.6686 -51.5237 8.95849 -51.5238 -19.467 66.3084 8.95857 66.3084 29.2808 GPRESSAVG: 1178600 -24.5496 -49.0454 8.43105 -53.9684 -19.2179 65.9901 10.3945 66.8733 30.4018 TIMING: 1178600 CPU: 3544.26, 0.00304651/step Wall: 3544.26, 0.00304651/step, 3.23387 hours remaining, 209.656250 MB of memory in use. ENERGY: 1178600 735.4216 2155.1374 1940.5726 124.6928 -205973.8106 17549.4880 0.0000 0.0000 34657.1805 -148811.3177 302.6698 -183468.4982 -148721.6171 300.7982 -70.5476 -37.1469 558103.2655 -4.2849 -4.4553 PRESSURE: 1178800 101.924 54.1409 -91.2839 54.1412 -52.4362 -1.17059 -91.2837 -1.16857 253.259 GPRESSURE: 1178800 130.089 19.4249 -50.1607 106.642 -5.81878 32.6331 -6.89257 -159.26 284.164 PRESSAVG: 1178800 57.272 2.84838 44.8065 2.84845 11.5794 46.0621 44.8064 46.0621 -80.3009 GPRESSAVG: 1178800 58.6356 2.10178 44.3275 3.69664 11.1296 46.5822 43.9224 47.0991 -81.2097 TIMING: 1178800 CPU: 3544.87, 0.00303265/step Wall: 3544.87, 0.00303265/step, 3.21899 hours remaining, 209.656250 MB of memory in use. ENERGY: 1178800 743.9701 2091.1093 1918.0329 114.9837 -206149.2048 17852.4672 0.0000 0.0000 34458.0519 -148970.5898 300.9307 -183428.6416 -148873.7021 299.7901 100.9156 136.1448 558077.2282 -3.8165 -3.8148 PRESSURE: 1179000 39.6038 -77.459 90.4586 -77.4593 23.5758 -139.435 90.4605 -139.436 -256.119 GPRESSURE: 1179000 113.137 -109.002 75.4494 -73.0197 15.8495 -123.509 55.6005 -115.439 -226.374 PRESSAVG: 1179000 26.6798 4.50911 47.4305 4.50922 8.46971 -17.7434 47.4306 -17.7435 -47.823 GPRESSAVG: 1179000 26.9817 3.883 47.0972 5.12998 9.39423 -16.9495 47.9531 -21.0215 -48.9435 TIMING: 1179000 CPU: 3545.47, 0.00299467/step Wall: 3545.47, 0.00299467/step, 3.17851 hours remaining, 209.656250 MB of memory in use. ENERGY: 1179000 745.9377 2098.7090 1920.5616 107.4495 -205946.5281 17617.5963 0.0000 0.0000 34626.3943 -148829.8797 302.4009 -183456.2740 -148731.9192 300.8155 -64.3132 -32.4625 557947.9306 -4.2245 -4.1892 PRESSURE: 1179200 166.767 -66.1328 123.64 -66.1314 230.572 -86.0157 123.641 -86.0157 -90.97 GPRESSURE: 1179200 186.914 -82.5018 198.111 22.4503 293.375 -32.1459 46.6456 -111.073 -75.1263 PRESSAVG: 1179200 67.9533 -7.73052 20.7304 -7.73047 54.7093 -27.2432 20.7304 -27.2433 -140.928 GPRESSAVG: 1179200 67.0628 -7.17856 23.0943 -6.9968 54.4111 -26.4526 17.9764 -25.5716 -139.338 TIMING: 1179200 CPU: 3546.07, 0.00301092/step Wall: 3546.07, 0.00301092/step, 3.19559 hours remaining, 209.656250 MB of memory in use. ENERGY: 1179200 744.3690 2091.1724 1932.0193 106.0351 -205892.0983 17820.6476 0.0000 0.0000 34313.5636 -148884.2913 299.6689 -183197.8548 -148782.9331 300.1575 102.1230 135.0543 557194.0700 -6.0885 -5.9548 PRESSURE: 1179400 81.9348 -50.313 261.331 -50.313 191.709 -41.7191 261.332 -41.7206 -159.81 GPRESSURE: 1179400 133.221 -36.1846 235.747 -72.0719 224.861 -85.6289 272.568 -2.60038 -138.739 PRESSAVG: 1179400 80.2422 -0.394154 54.0959 -0.394168 -32.3869 18.9711 54.0958 18.9711 -11.7006 GPRESSAVG: 1179400 81.5546 -0.409092 52.1061 -1.35598 -34.0985 18.728 56.7805 19.354 -11.0983 TIMING: 1179400 CPU: 3546.68, 0.00303369/step Wall: 3546.68, 0.00303369/step, 3.21959 hours remaining, 209.656250 MB of memory in use. ENERGY: 1179400 777.8999 2104.8261 1920.5587 115.7865 -205708.4122 17633.8055 0.0000 0.0000 34260.7032 -148894.8322 299.2072 -183155.5354 -148795.2466 300.4786 37.9443 73.1142 556457.0741 12.0516 12.1192 PRESSURE: 1179600 88.8206 72.3155 -66.568 72.3145 131.824 -170.852 -66.5683 -170.851 308.231 GPRESSURE: 1179600 136.723 78.0744 -171.274 93.2081 182.81 -156.153 -7.60806 -189.507 321.914 PRESSAVG: 1179600 10.1235 0.606927 -26.7869 0.606929 -50.6767 -11.3861 -26.7869 -11.3861 20.7336 GPRESSAVG: 1179600 8.98129 0.172612 -25.1447 -0.338186 -49.0971 -12.1567 -28.0149 -12.4546 20.7179 TIMING: 1179600 CPU: 3547.28, 0.00302474/step Wall: 3547.28, 0.00302474/step, 3.20992 hours remaining, 209.656250 MB of memory in use. ENERGY: 1179600 771.8246 2060.6513 1942.4433 126.9840 -206060.0283 17931.9754 0.0000 0.0000 34284.6585 -148941.4913 299.4164 -183226.1498 -148844.1394 299.9849 176.2918 213.8156 556451.9238 -6.6065 -6.4660 PRESSURE: 1179800 -72.3653 38.0941 -40.6432 38.0942 268.802 8.28615 -40.6443 8.28714 -161.511 GPRESSURE: 1179800 -71.8703 -5.66554 -7.18845 43.587 280.232 -20.7889 18.07 -26.3823 -77.3138 PRESSAVG: 1179800 -28.3129 23.7113 26.5781 23.7112 35.3946 -9.59524 26.5782 -9.59522 -8.05262 GPRESSAVG: 1179800 -28.1604 24.5835 26.3977 24.2112 35.4113 -10.1485 27.6329 -9.43052 -8.63828 TIMING: 1179800 CPU: 3547.89, 0.003049/step Wall: 3547.89, 0.003049/step, 3.2355 hours remaining, 209.656250 MB of memory in use. ENERGY: 1179800 743.2760 2046.8150 1914.2516 110.5352 -205892.2479 17708.3319 0.0000 0.0000 34363.8086 -149005.2296 300.1077 -183369.0382 -148905.7797 300.0744 11.6419 43.6825 556356.7245 -0.3237 -0.4625 PRESSURE: 1180000 138.437 90.9059 37.7728 90.9084 -75.1177 1.8652 37.7727 1.86505 -168.178 GPRESSURE: 1180000 167.32 135.881 16.036 64.1662 -34.2788 -96.7697 40.8768 37.1391 -137.345 PRESSAVG: 1180000 15.0964 -0.617235 35.3836 -0.617284 24.4974 17.3046 35.3835 17.3046 -69.3622 GPRESSAVG: 1180000 15.2723 -3.72984 34.5533 1.02112 24.6371 16.8367 37.2095 18.5023 -68.9564 TIMING: 1180000 CPU: 3548.5, 0.0030258/step Wall: 3548.5, 0.0030258/step, 3.21071 hours remaining, 209.656250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1180000 752.7641 2075.9783 1944.0284 120.4461 -206075.0716 17767.9774 0.0000 0.0000 34430.7813 -148983.0959 300.6926 -183413.8772 -148884.0497 300.2832 -34.9528 -1.4345 557618.0562 -9.9228 -9.6823 PRESSURE: 1180200 164.847 60.2333 -26.5418 60.2349 1.20689 -5.49898 -26.5434 -5.50029 120.018 GPRESSURE: 1180200 197.783 102.032 -3.02025 47.1738 14.6008 -101.169 30.4697 52.347 153.209 PRESSAVG: 1180200 15.2855 18.8229 -23.6381 18.8228 49.5244 8.2647 -23.6381 8.26468 -39.3511 GPRESSAVG: 1180200 14.3848 19.9157 -22.808 17.5442 50.5586 9.78735 -24.2004 7.86109 -39.6286 TIMING: 1180200 CPU: 3549.1, 0.0030139/step Wall: 3549.1, 0.0030139/step, 3.19792 hours remaining, 209.656250 MB of memory in use. ENERGY: 1180200 745.0045 2094.6822 1909.2923 122.1748 -206053.6246 17903.1907 0.0000 0.0000 34298.1459 -148981.1341 299.5342 -183279.2801 -148881.5643 299.9511 95.3572 121.8642 557014.0375 8.4863 8.4382 LDB: ============= START OF LOAD BALANCING ============== 3552.62 LDB: ============== END OF LOAD BALANCING =============== 3552.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3552.62 LDB: ============= START OF LOAD BALANCING ============== 3552.92 LDB: Largest compute 4822 load 0.024833 is 21.1% of average load 0.117965 LDB: Average compute 0.001742 is 1.5% of average load 0.117965 LDB: TIME 3552.92 LOAD: AVG 0.117965 MAX 0.211926 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.07 MB LDB: TIME 3552.92 LOAD: AVG 0.117965 MAX 0.211926 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.07 MB LDB: TIME 3552.92 LOAD: AVG 0.117965 MAX 0.211926 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.07 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3552.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3552.93 PRESSURE: 1180400 -198.457 -30.2322 27.7017 -30.233 -97.0122 30.3434 27.7022 30.3426 -178.702 GPRESSURE: 1180400 -161.449 -57.606 90.4785 -54.3226 -14.4941 113.617 -65.8525 54.1598 -193.445 PRESSAVG: 1180400 -10.3303 -12.2106 -84.8555 -12.2105 13.7823 -14.4719 -84.8555 -14.4718 -5.86372 GPRESSAVG: 1180400 -7.95771 -11.6464 -84.6936 -10.8198 11.4146 -14.3163 -85.395 -16.0273 -5.47644 TIMING: 1180400 CPU: 3549.71, 0.0030587/step Wall: 3549.71, 0.0030587/step, 3.24528 hours remaining, 208.171875 MB of memory in use. ENERGY: 1180400 717.3650 2155.0152 1948.8252 108.3152 -205741.8469 17449.3072 0.0000 0.0000 34429.1369 -148933.8821 300.6782 -183363.0190 -148827.7458 300.1232 -158.0570 -123.1294 558283.6228 -0.8039 -0.6732 PRESSURE: 1180600 -291.025 109.838 -15.5691 109.838 -77.6183 -34.7676 -15.5677 -34.769 -43.7434 GPRESSURE: 1180600 -200.144 114.55 -47.6307 61.3441 -42.7976 34.5349 43.4478 -49.75 -70.9514 PRESSAVG: 1180600 -29.9561 -1.50962 -14.885 -1.50979 34.9477 15.8519 -14.8849 15.8519 12.5245 GPRESSAVG: 1180600 -31.9397 -0.782568 -17.236 -4.40355 36.7837 14.4616 -12.9343 16.7066 12.9151 TIMING: 1180600 CPU: 3550.31, 0.00300072/step Wall: 3550.31, 0.00300072/step, 3.18359 hours remaining, 208.429688 MB of memory in use. ENERGY: 1180600 723.7598 2099.7828 1953.6783 133.9061 -205489.4841 17431.7135 0.0000 0.0000 34059.7310 -149086.9127 297.4521 -183146.6436 -148990.9851 300.1100 -137.4622 -104.6311 558116.8405 5.8387 5.9197 PRESSURE: 1180800 -69.0516 66.1107 -79.8348 66.1106 32.7632 22.278 -79.8336 22.2773 -44.0769 GPRESSURE: 1180800 -26.2643 109.732 -130.872 77.301 57.2447 -13.3209 -67.8066 72.0363 -17.5703 PRESSAVG: 1180800 27.1387 32.8621 -17.8246 32.8622 -37.4878 -30.3696 -17.8245 -30.3696 -5.95535 GPRESSAVG: 1180800 26.9616 32.1674 -17.4398 33.4886 -38.2307 -27.9283 -17.8323 -30.1794 -5.37834 TIMING: 1180800 CPU: 3550.92, 0.00302777/step Wall: 3550.92, 0.00302777/step, 3.21212 hours remaining, 208.429688 MB of memory in use. ENERGY: 1180800 709.1313 2159.4436 1968.6644 124.6313 -206230.8540 17794.3664 0.0000 0.0000 34376.1572 -149098.4597 300.2155 -183474.6170 -149003.0044 299.1217 -26.7884 4.4700 557930.6936 -5.4348 -5.5491 PRESSURE: 1181000 -103.971 -136.822 199.298 -136.823 -195.898 -55.5057 199.298 -55.5056 -95.4359 GPRESSURE: 1181000 -126.775 -115.587 268.445 -155.466 -146.052 -57.8719 137.793 -13.2323 -29.9692 PRESSAVG: 1181000 3.03043 -36.0029 49.7185 -36.0029 14.0161 -25.407 49.7184 -25.4071 14.2899 GPRESSAVG: 1181000 2.49657 -37.3529 50.4431 -35.1534 13.2107 -27.6658 47.7079 -25.5617 16.0296 TIMING: 1181000 CPU: 3551.53, 0.00305869/step Wall: 3551.53, 0.00305869/step, 3.24477 hours remaining, 208.429688 MB of memory in use. ENERGY: 1181000 729.6735 2137.0065 1922.8993 115.4915 -205890.9132 17574.9926 0.0000 0.0000 34335.7923 -149075.0574 299.8630 -183410.8497 -148971.3833 299.8832 -131.7684 -100.9319 558726.5544 10.4455 10.5789 PRESSURE: 1181200 -29.9108 -103.653 -5.03914 -103.655 24.0912 83.8578 -5.03875 83.8562 -160.26 GPRESSURE: 1181200 63.1029 -77.1198 -94.7179 -60.1536 19.8532 98.0274 33.5394 101.677 -162.483 PRESSAVG: 1181200 55.1219 -52.0611 -13.6281 -52.061 -23.8604 1.46104 -13.6282 1.46104 8.57365 GPRESSAVG: 1181200 57.2017 -52.4271 -13.8783 -50.3501 -22.2001 0.133036 -12.486 3.73202 4.91018 TIMING: 1181200 CPU: 3552.14, 0.00303818/step Wall: 3552.14, 0.00303818/step, 3.22283 hours remaining, 208.429688 MB of memory in use. ENERGY: 1181200 743.4538 2140.3843 1938.2285 120.9010 -206180.4717 17639.5775 0.0000 0.0000 34424.4682 -149173.4584 300.6374 -183597.9267 -149072.6220 300.1737 -55.3599 -26.5090 556797.0215 13.2784 13.3039 PRESSURE: 1181400 62.8004 91.3774 -46.9056 91.3772 165.992 -8.221 -46.9061 -8.22287 -204.452 GPRESSURE: 1181400 85.9461 133.821 -200.576 161.122 163.163 -35.7139 -3.04108 -15.1613 -146.792 PRESSAVG: 1181400 23.2283 -21.7128 -50.6722 -21.7128 -6.50211 22.4303 -50.6721 22.4302 10.2907 GPRESSAVG: 1181400 22.3455 -19.3502 -51.1314 -23.7244 -6.0865 22.4848 -50.906 19.3862 11.616 TIMING: 1181400 CPU: 3552.74, 0.00303648/step Wall: 3552.74, 0.00303648/step, 3.22086 hours remaining, 208.500000 MB of memory in use. ENERGY: 1181400 754.1016 2079.8274 1949.3662 103.6012 -206018.3358 17743.5231 0.0000 0.0000 34268.1049 -149119.8114 299.2719 -183387.9163 -149030.9513 298.8186 8.1136 34.1057 557549.8409 9.0056 9.2917 PRESSURE: 1181600 -157.001 36.1798 -123.02 36.1801 27.0962 -44.8421 -123.019 -44.8437 3.8114 GPRESSURE: 1181600 -104.357 -82.8596 -127.339 72.0319 52.1204 -6.60945 -108.452 -23.212 22.8793 PRESSAVG: 1181600 43.3063 -33.3572 -28.9636 -33.3571 10.4377 -29.1308 -28.9635 -29.1309 -23.8443 GPRESSAVG: 1181600 44.0774 -34.6692 -28.8303 -33.3339 9.95478 -29.6317 -30.3602 -27.2009 -23.6608 TIMING: 1181600 CPU: 3553.35, 0.00304181/step Wall: 3553.35, 0.00304181/step, 3.22635 hours remaining, 208.500000 MB of memory in use. ENERGY: 1181600 780.7611 2074.2170 1936.0711 130.7513 -205818.5763 17656.1737 0.0000 0.0000 34156.9288 -149083.6733 298.3010 -183240.6021 -148990.6469 299.9004 -42.0312 -9.7857 557812.0901 9.9666 10.1238 PRESSURE: 1181800 -255.565 122.302 -121.892 122.303 -23.8915 106.133 -121.893 106.131 -180.08 GPRESSURE: 1181800 -224.811 46.4648 -130.976 120.477 28.6813 30.0368 -117.029 156.85 -154.343 PRESSAVG: 1181800 -5.09209 -47.0407 0.564491 -47.0407 11.7548 -13.9009 0.564521 -13.901 3.4444 GPRESSAVG: 1181800 -6.93391 -47.6347 1.99129 -47.8931 12.6947 -14.267 0.61937 -12.4454 4.66074 TIMING: 1181800 CPU: 3553.96, 0.00304484/step Wall: 3553.96, 0.00304484/step, 3.2294 hours remaining, 208.500000 MB of memory in use. ENERGY: 1181800 716.3740 2110.7353 1916.9166 111.2383 -205778.2927 17561.0246 0.0000 0.0000 34313.1371 -149048.8669 299.6652 -183362.0039 -148944.0373 299.6970 -153.1788 -116.8241 557754.8829 3.3690 3.4738 PRESSURE: 1182000 -62.019 74.8997 -119.213 74.8987 91.3169 -83.4326 -119.212 -83.4323 -214.611 GPRESSURE: 1182000 -57.4793 97.4377 -139.33 59.2038 130.779 -119.579 -103.27 -102.944 -160.071 PRESSAVG: 1182000 -12.7158 36.942 35.5305 36.942 1.54152 17.7857 35.5306 17.7856 -21.3302 GPRESSAVG: 1182000 -11.8988 36.386 35.0329 37.278 0.73702 19.1938 36.5449 13.7026 -21.5485 TIMING: 1182000 CPU: 3554.56, 0.00300484/step Wall: 3554.56, 0.00300484/step, 3.1868 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: 1182000 749.9995 2101.7515 1901.0552 115.7651 -205817.8882 17537.5778 0.0000 0.0000 34219.8255 -149191.9135 298.8502 -183411.7391 -149093.6418 299.4532 -61.7709 -28.9236 556781.6402 -10.8348 -10.9034 PRESSURE: 1182200 84.6599 60.4826 5.84211 60.4827 308.827 -147.255 5.84294 -147.254 -34.1297 GPRESSURE: 1182200 148.212 -21.031 -33.3071 72.2806 325.734 -170.375 63.3341 -162.684 -20.719 PRESSAVG: 1182200 -0.524162 25.4414 8.40129 25.4414 51.407 -141.891 8.4012 -141.891 -60.6924 GPRESSAVG: 1182200 -0.412634 23.7742 8.51944 29.9655 51.1333 -142.76 8.77514 -140.006 -60.9967 TIMING: 1182200 CPU: 3555.16, 0.00298734/step Wall: 3555.16, 0.00298734/step, 3.16807 hours remaining, 208.500000 MB of memory in use. ENERGY: 1182200 753.8635 2157.2289 1932.0447 124.4584 -206599.0581 17992.9513 0.0000 0.0000 34369.5704 -149268.9408 300.1580 -183638.5112 -149178.1513 299.4429 119.7857 151.0756 556328.1907 -3.2699 -3.4254 PRESSURE: 1182400 -220.107 55.3636 -15.3531 55.3638 -105.312 -15.2557 -15.3531 -15.2556 -272.057 GPRESSURE: 1182400 -183.313 5.79655 -47.9281 133.531 -91.0246 -55.961 -6.57907 19.009 -229.231 PRESSAVG: 1182400 21.1144 14.4486 17.846 14.4487 4.60163 -43.4316 17.8459 -43.4317 -64.7318 GPRESSAVG: 1182400 20.2942 16.2128 17.9226 11.5964 4.84283 -44.1929 15.8526 -43.9592 -63.948 TIMING: 1182400 CPU: 3555.76, 0.00300509/step Wall: 3555.76, 0.00300509/step, 3.18674 hours remaining, 208.500000 MB of memory in use. ENERGY: 1182400 762.3494 2121.0762 1889.3196 118.9191 -205827.5951 17445.2895 0.0000 0.0000 34307.3758 -149183.2655 299.6148 -183490.6414 -149078.2232 299.9018 -199.1587 -167.8563 557801.4528 -13.0053 -12.9370 PRESSURE: 1182600 -19.5931 6.2532 -26.4119 6.25467 -7.55529 -162.081 -26.4132 -162.082 -66.4048 GPRESSURE: 1182600 16.588 -37.1991 -1.45982 52.716 50.777 -127.814 -72.7303 -79.9638 -71.1229 PRESSAVG: 1182600 13.1764 47.5084 0.505844 47.5085 6.3423 -30.1092 0.505839 -30.1092 22.3887 GPRESSAVG: 1182600 14.3763 46.5503 0.140235 47.425 6.159 -30.4025 2.70586 -29.9208 22.1577 TIMING: 1182600 CPU: 3556.36, 0.0030146/step Wall: 3556.36, 0.0030146/step, 3.19665 hours remaining, 208.500000 MB of memory in use. ENERGY: 1182600 714.8142 2079.2559 1957.0670 106.7117 -205922.7122 17675.0546 0.0000 0.0000 34373.1319 -149016.6769 300.1891 -183389.8088 -148916.7583 299.4563 -31.1844 -1.2526 558209.5736 13.9691 14.2310 PRESSURE: 1182800 -118.976 3.32241 5.02324 3.32308 -67.4195 -44.7104 5.02326 -44.709 -38.4086 GPRESSURE: 1182800 -113.026 -55.2109 -26.5899 29.2167 7.1321 -43.7729 21.9897 3.02009 -36.6064 PRESSAVG: 1182800 6.78359 19.673 31.3551 19.673 81.645 -38.0096 31.3551 -38.0095 -84.5385 GPRESSAVG: 1182800 5.78921 20.7131 31.1819 17.5398 82.3176 -36.1933 31.0384 -37.3456 -84.4445 TIMING: 1182800 CPU: 3556.97, 0.00301731/step Wall: 3556.97, 0.00301731/step, 3.19936 hours remaining, 208.500000 MB of memory in use. ENERGY: 1182800 755.4228 2095.8555 1948.1296 125.1237 -205807.4431 17579.2238 0.0000 0.0000 34501.1020 -148802.5857 301.3067 -183303.6877 -148701.5200 300.3338 -74.9348 -47.5002 558332.7749 1.2967 1.2208 PRESSURE: 1183000 117.438 137.197 -7.15921 137.198 57.8873 16.203 -7.16018 16.2018 -166.741 GPRESSURE: 1183000 183.913 122.706 15.1774 121.572 74.5602 -5.15694 -66.3305 17.262 -159.653 PRESSAVG: 1183000 -21.4152 18.3218 -14.1063 18.3218 55.6526 39.9724 -14.1063 39.9722 -44.3382 GPRESSAVG: 1183000 -20.626 19.3559 -13.0792 20.8137 54.5454 38.6413 -15.0521 39.6773 -44.3866 TIMING: 1183000 CPU: 3557.57, 0.00301995/step Wall: 3557.57, 0.00301995/step, 3.20199 hours remaining, 208.500000 MB of memory in use. ENERGY: 1183000 765.2912 2124.2111 1945.4717 126.5804 -206057.8593 17779.1362 0.0000 0.0000 34503.0440 -148814.1248 301.3237 -183317.1688 -148712.1100 301.0836 2.8614 32.9401 556332.7868 -3.3669 -3.4891 PRESSURE: 1183200 46.8168 72.1334 35.5164 72.1342 -30.1661 112.152 35.516 112.15 13.101 GPRESSURE: 1183200 66.6703 -10.4303 -29.8427 46.0201 6.26225 133.046 69.3209 200.185 50.5161 PRESSAVG: 1183200 -26.5442 22.6945 -29.895 22.6945 -10.538 46.3356 -29.895 46.3357 16.1716 GPRESSAVG: 1183200 -27.1798 22.1149 -30.8155 22.844 -10.2216 45.7838 -28.3482 47.2779 15.9517 TIMING: 1183200 CPU: 3558.18, 0.00305783/step Wall: 3558.18, 0.00305783/step, 3.24198 hours remaining, 208.500000 MB of memory in use. ENERGY: 1183200 732.0271 2126.5488 1917.1195 105.4003 -205903.0794 17754.6051 0.0000 0.0000 34367.0688 -148900.3097 300.1362 -183267.3785 -148807.9833 300.8701 9.9172 41.1496 556374.8143 -6.9702 -7.1499 PRESSURE: 1183400 69.0698 -84.5959 0.206054 -84.5972 -162.75 -286.355 0.206742 -286.355 -163.941 GPRESSURE: 1183400 72.2579 3.5225 -8.75138 -89.4721 -82.2331 -248.151 38.6552 -290.65 -142.15 PRESSAVG: 1183400 22.6226 2.99651 -24.1243 2.9965 -7.47164 -63.6786 -24.1243 -63.6787 -19.0064 GPRESSAVG: 1183400 22.4279 4.07889 -23.3182 2.35292 -7.50746 -63.2084 -24.5896 -63.3364 -18.5007 TIMING: 1183400 CPU: 3558.79, 0.00305126/step Wall: 3558.79, 0.00305126/step, 3.23484 hours remaining, 208.500000 MB of memory in use. ENERGY: 1183400 719.7712 2094.5386 1932.6900 109.7238 -205638.4386 17499.6001 0.0000 0.0000 34397.9073 -148884.2074 300.4055 -183282.1147 -148789.5938 299.7943 -85.8736 -50.7085 556052.1414 -1.2851 -1.1934 PRESSURE: 1183600 141.217 -106.51 -48.33 -106.508 89.6296 11.3148 -48.3303 11.3147 49.0319 GPRESSURE: 1183600 203.912 -161.125 30.3861 -96.5445 116.083 -28.0669 -99.0344 6.51181 64.9513 PRESSAVG: 1183600 -44.7013 -25.2576 -22.2926 -25.2578 31.7309 -13.6221 -22.2926 -13.6219 34.6613 GPRESSAVG: 1183600 -44.269 -26.1825 -22.0309 -27.4912 31.2866 -12.6883 -24.2207 -14.0538 34.1165 TIMING: 1183600 CPU: 3559.4, 0.00304148/step Wall: 3559.4, 0.00304148/step, 3.2243 hours remaining, 208.500000 MB of memory in use. ENERGY: 1183600 745.5910 2117.7522 1906.9763 109.6754 -205992.0552 17915.9515 0.0000 0.0000 34460.8291 -148735.2798 300.9550 -183196.1089 -148638.4100 300.3678 93.2929 128.3156 556673.7260 7.2303 7.0447 PRESSURE: 1183800 277.352 -30.0883 176.787 -30.0878 -308.55 101.249 176.788 101.248 -69.229 GPRESSURE: 1183800 278.827 -70.9665 156.788 1.03751 -248.674 -31.8053 163.116 143.884 -30.5212 PRESSAVG: 1183800 13.0358 -20.6998 40.828 -20.6997 23.1192 40.4513 40.828 40.4513 -36.2941 GPRESSAVG: 1183800 11.8407 -20.5641 41.1726 -18.0212 21.743 39.1686 38.844 40.7165 -34.5367 TIMING: 1183800 CPU: 3560.01, 0.00305477/step Wall: 3560.01, 0.00305477/step, 3.23823 hours remaining, 208.500000 MB of memory in use. ENERGY: 1183800 733.1814 2089.4604 1942.0903 108.2255 -205606.0101 17622.9139 0.0000 0.0000 34364.8609 -148745.2778 300.1169 -183110.1387 -148659.5169 300.1179 -33.4758 -0.1229 556976.7677 -0.0463 -0.3177 PRESSURE: 1184000 -85.3598 -10.9124 28.7968 -10.9122 -39.1492 -34.1248 28.7976 -34.1236 -104.356 GPRESSURE: 1184000 -83.0826 4.46047 104.381 11.5443 36.0636 -42.8772 51.4779 -28.3652 -77.2858 PRESSAVG: 1184000 32.5022 3.45731 -6.97154 3.45734 -11.9384 -40.2154 -6.97153 -40.2154 -41.4396 GPRESSAVG: 1184000 32.9291 4.35318 -7.08467 2.10177 -10.8141 -38.4723 -5.78681 -41.6493 -43.0006 TIMING: 1184000 CPU: 3560.61, 0.00301431/step Wall: 3560.61, 0.00301431/step, 3.19517 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: 1184000 748.0925 2096.5133 1905.3136 106.4185 -205703.7628 17551.7511 0.0000 0.0000 34271.5518 -149024.1220 299.3020 -183295.6738 -148927.1818 300.3600 -76.2883 -41.4349 558125.2201 -6.9586 -6.9619 PRESSURE: 1184200 -0.272357 -51.0997 -50.7651 -51.0996 70.7565 -17.6504 -50.7661 -17.6507 73.8981 GPRESSURE: 1184200 55.9017 -132.145 37.4583 -95.6353 117.66 -37.8294 -121.521 -6.97386 66.3957 PRESSAVG: 1184200 45.2643 35.3688 -11.3544 35.3689 -15.8189 22.6107 -11.3543 22.6107 1.25541 GPRESSAVG: 1184200 44.7393 34.0702 -12.1226 36.4304 -15.5388 22.9379 -13.1323 21.5892 0.53466 TIMING: 1184200 CPU: 3561.22, 0.00304226/step Wall: 3561.22, 0.00304226/step, 3.22463 hours remaining, 208.500000 MB of memory in use. ENERGY: 1184200 724.1556 2129.9553 1962.3380 111.6969 -206063.2732 17714.0828 0.0000 0.0000 34532.1517 -148888.8930 301.5779 -183421.0447 -148795.9155 299.8271 48.1274 79.9858 557791.8064 10.2336 9.9117 LDB: ============= START OF LOAD BALANCING ============== 3564.74 LDB: ============== END OF LOAD BALANCING =============== 3564.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3564.75 LDB: ============= START OF LOAD BALANCING ============== 3565.05 LDB: Largest compute 4800 load 0.024370 is 20.7% of average load 0.117870 LDB: Average compute 0.001731 is 1.5% of average load 0.117870 LDB: TIME 3565.05 LOAD: AVG 0.11787 MAX 0.216597 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.68 MB LDB: TIME 3565.05 LOAD: AVG 0.11787 MAX 0.216597 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.883 MB LDB: TIME 3565.05 LOAD: AVG 0.11787 MAX 0.216597 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.883 MB LDB: ============== END OF LOAD BALANCING =============== 3565.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3565.06 PRESSURE: 1184400 -185.082 -71.3767 -20.7124 -71.3758 144.638 -45.5051 -20.7112 -45.5045 160.866 GPRESSURE: 1184400 -109.484 -114.997 65.885 -115.38 141.816 -108.781 40.6909 -65.6081 188.48 PRESSAVG: 1184400 13.0608 -27.7058 65.7872 -27.7058 42.3039 -15.0563 65.7872 -15.0564 -48.583 GPRESSAVG: 1184400 13.814 -26.8057 64.4041 -28.6846 41.9457 -17.8625 67.5876 -11.6072 -48.5613 TIMING: 1184400 CPU: 3561.84, 0.00309819/step Wall: 3561.84, 0.00309819/step, 3.28374 hours remaining, 207.128906 MB of memory in use. ENERGY: 1184400 753.7071 2101.7259 1953.8047 108.8029 -206244.6136 17926.3152 0.0000 0.0000 34540.0981 -148860.1596 301.6473 -183400.2577 -148764.2369 300.6864 40.1406 73.6037 557972.8967 2.2606 2.3995 PRESSURE: 1184600 200.334 62.9353 47.7486 62.9338 175.778 65.6256 47.7473 65.6244 -166.225 GPRESSURE: 1184600 250.877 26.2971 -13.1733 74.3853 218.766 59.3296 152.743 58.2177 -166.338 PRESSAVG: 1184600 25.6567 5.22056 38.9469 5.22062 55.0485 -9.95985 38.947 -9.95984 -36.8332 GPRESSAVG: 1184600 26.5916 4.05771 41.4481 6.73598 54.0299 -9.28989 38.2367 -10.5153 -36.7986 TIMING: 1184600 CPU: 3562.45, 0.0030416/step Wall: 3562.45, 0.0030416/step, 3.22359 hours remaining, 207.128906 MB of memory in use. ENERGY: 1184600 751.7671 2071.7520 1928.5942 118.2963 -206247.6088 17962.1897 0.0000 0.0000 34420.9465 -148994.0630 300.6067 -183415.0096 -148901.1093 300.7899 69.9622 101.1017 556694.7787 14.6240 14.6076 PRESSURE: 1184800 -58.3674 61.9129 20.181 61.9112 -45.7438 -83.9227 20.1818 -83.9225 -67.2702 GPRESSURE: 1184800 -31.8759 118.288 26.6367 -15.6941 0.809494 -44.9513 -85.2195 -168.703 -36.5416 PRESSAVG: 1184800 99.8172 67.782 -50.5767 67.782 -41.5793 -0.357065 -50.5767 -0.357034 -78.1596 GPRESSAVG: 1184800 98.7901 67.8631 -51.4809 67.7183 -40.9026 1.01343 -51.5086 -1.12008 -77.9898 TIMING: 1184800 CPU: 3563.06, 0.00304566/step Wall: 3563.06, 0.00304566/step, 3.22772 hours remaining, 207.128906 MB of memory in use. ENERGY: 1184800 741.4563 2132.6633 1923.3308 113.6724 -205930.5951 17581.4730 0.0000 0.0000 34521.6493 -148916.3500 301.4861 -183437.9992 -148818.0108 300.1095 -57.1271 -22.5360 557745.7432 -6.6406 -6.7008 PRESSURE: 1185000 130.117 11.082 -79.5166 11.0823 53.816 -2.04596 -79.5159 -2.04578 -125.828 GPRESSURE: 1185000 109.039 14.668 -61.2163 -18.6555 94.2932 51.6259 -72.7354 -24.0353 -42.7669 PRESSAVG: 1185000 9.45945 27.3515 -3.62475 27.3514 -10.7296 -1.68096 -3.62474 -1.68091 -19.4093 GPRESSAVG: 1185000 8.94943 27.4101 -3.25985 27.7873 -10.2451 -1.74991 -3.51271 -2.73024 -19.3357 TIMING: 1185000 CPU: 3563.67, 0.00307183/step Wall: 3563.67, 0.00307183/step, 3.25529 hours remaining, 207.128906 MB of memory in use. ENERGY: 1185000 738.0258 2084.9636 1919.1222 102.9695 -205865.8911 17843.3889 0.0000 0.0000 34440.7009 -148736.7201 300.7792 -183177.4210 -148638.8810 300.4213 19.3682 53.5216 558139.1539 -6.8931 -6.8771 PRESSURE: 1185200 -323.754 -22.7387 -57.2294 -22.7399 -141.852 45.4004 -57.2284 45.3998 -70.8765 GPRESSURE: 1185200 -326.198 -31.8619 35.1235 29.7601 -78.7234 96.7989 -123.451 99.8401 -33.9809 PRESSAVG: 1185200 -64.2112 36.079 -2.23641 36.0789 22.4985 20.1104 -2.23639 20.1104 27.4694 GPRESSAVG: 1185200 -63.1808 37.2867 -2.90765 33.097 21.7765 20.3172 -1.73239 20.9169 27.7764 TIMING: 1185200 CPU: 3564.29, 0.00306747/step Wall: 3564.29, 0.00306747/step, 3.25049 hours remaining, 207.128906 MB of memory in use. ENERGY: 1185200 740.8876 2116.6882 1954.8067 114.9455 -205807.3879 17521.2802 0.0000 0.0000 34525.3836 -148833.3959 301.5188 -183358.7796 -148743.4582 300.2224 -178.8276 -146.3007 558971.6944 -4.7477 -4.5426 PRESSURE: 1185400 -206.844 144.716 -112.748 144.714 -111.265 -107.844 -112.748 -107.844 -281.946 GPRESSURE: 1185400 -129.091 149.958 -127.288 160.641 -92.8111 -60.4478 -88.6932 -94.0784 -283.429 PRESSAVG: 1185400 31.1689 -15.2614 -37.8966 -15.2615 11.9894 -6.66066 -37.8965 -6.66075 -83.8834 GPRESSAVG: 1185400 30.3662 -16.4452 -39.1253 -14.3817 13.0996 -7.04454 -36.1594 -7.85614 -84.337 TIMING: 1185400 CPU: 3564.9, 0.00304961/step Wall: 3564.9, 0.00304961/step, 3.2314 hours remaining, 207.128906 MB of memory in use. ENERGY: 1185400 731.1456 2139.3493 1938.8444 116.3011 -205520.2221 17564.7689 0.0000 0.0000 34072.7680 -148957.0447 297.5660 -183029.8128 -148861.2453 300.5915 -200.0180 -168.4436 559319.7447 -13.5750 -13.6237 PRESSURE: 1185600 -145.58 -87.3114 190.587 -87.3106 -182.135 -25.6134 190.587 -25.6135 27.0995 GPRESSURE: 1185600 -56.2277 -20.7323 179.966 -175.051 -175.226 -87.1766 243.979 3.06724 27.0918 PRESSAVG: 1185600 1.00492 -19.5625 -8.67299 -19.5625 73.7738 -5.27246 -8.67297 -5.27251 -69.7394 GPRESSAVG: 1185600 0.989729 -18.3642 -6.67602 -19.8334 73.2632 -4.71523 -10.2292 -4.53755 -69.0839 TIMING: 1185600 CPU: 3565.49, 0.00298014/step Wall: 3565.49, 0.00298014/step, 3.15762 hours remaining, 207.128906 MB of memory in use. ENERGY: 1185600 702.4365 2086.5098 1923.1775 105.1064 -205808.0742 17620.5437 0.0000 0.0000 34243.0437 -149127.2566 299.0530 -183370.3003 -149036.3941 299.7069 -100.2048 -68.1207 557234.5866 1.6798 1.7230 PRESSURE: 1185800 81.6075 62.7171 -134.76 62.7166 -132.831 -41.418 -134.757 -41.4183 -79.0711 GPRESSURE: 1185800 65.1805 32.6806 -75.861 58.2724 -90.9403 -11.4852 -115.151 -61.7268 -32.388 PRESSAVG: 1185800 54.581 -15.3195 -32.0485 -15.3195 -73.8829 -11.6763 -32.0485 -11.6762 -18.1757 GPRESSAVG: 1185800 54.5956 -16.5177 -32.4592 -15.7116 -73.6883 -9.96159 -32.1776 -14.2821 -18.5383 TIMING: 1185800 CPU: 3566.09, 0.00298961/step Wall: 3566.09, 0.00298961/step, 3.16749 hours remaining, 207.128906 MB of memory in use. ENERGY: 1185800 756.8742 2054.2750 1940.0267 107.9270 -205793.8316 17609.3202 0.0000 0.0000 34071.9626 -149253.4459 297.5589 -183325.4086 -149157.6592 299.1986 -43.4315 -19.3826 558148.6200 -12.4926 -12.5437 PRESSURE: 1186000 -103.542 134.477 -45.5135 134.476 -63.179 12.7507 -45.5142 12.7507 -304.419 GPRESSURE: 1186000 -124.511 198.946 -219.167 107.384 -7.46311 13.0208 3.44914 40.903 -248.266 PRESSAVG: 1186000 46.339 1.31377 -15.8432 1.31373 -29.3821 23.4071 -15.8434 23.4071 19.4445 GPRESSAVG: 1186000 45.9245 2.42359 -15.1981 2.63114 -28.9349 22.282 -14.0363 26.5974 19.9201 TIMING: 1186000 CPU: 3566.69, 0.00300545/step Wall: 3566.69, 0.00300545/step, 3.18411 hours remaining, 207.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1186000 743.3509 2068.7464 1919.6893 114.4494 -205966.0598 17569.1698 0.0000 0.0000 34281.3900 -149269.2640 299.3879 -183550.6540 -149173.4104 299.2910 -157.0467 -126.7467 557532.8225 12.1338 12.3032 PRESSURE: 1186200 -44.5282 116.913 158.046 116.914 -43.023 186.081 158.046 186.081 -117.151 GPRESSURE: 1186200 67.8153 69.636 237.773 55.0881 -6.9745 201.338 214.893 74.6485 -176.748 PRESSAVG: 1186200 49.1148 49.0169 5.49905 49.0169 6.60842 21.7234 5.49898 21.7234 -33.0883 GPRESSAVG: 1186200 50.9459 48.7341 5.50301 48.0985 6.65892 20.6663 4.14626 19.9052 -34.6208 TIMING: 1186200 CPU: 3567.29, 0.00300685/step Wall: 3567.29, 0.00300685/step, 3.18543 hours remaining, 207.128906 MB of memory in use. ENERGY: 1186200 717.6436 2099.2482 1950.1591 116.1307 -206046.5166 17641.6328 0.0000 0.0000 34246.0524 -149275.6498 299.0793 -183521.7022 -149183.3689 299.5025 -68.2342 -38.6359 558553.9912 7.5450 7.6613 PRESSURE: 1186400 21.4939 34.752 -10.2853 34.7535 -42.7845 116.4 -10.2862 116.399 75.1103 GPRESSURE: 1186400 14.9568 46.2683 15.3099 -62.0893 2.33331 45.5866 -31.01 114.484 115.213 PRESSAVG: 1186400 -9.91193 13.5968 48.1394 13.5969 -10.5062 69.5277 48.1394 69.5279 23.6132 GPRESSAVG: 1186400 -11.1747 12.018 47.4074 13.5033 -9.9341 71.2226 48.5577 68.7552 25.006 TIMING: 1186400 CPU: 3567.89, 0.00300259/step Wall: 3567.89, 0.00300259/step, 3.18075 hours remaining, 207.128906 MB of memory in use. ENERGY: 1186400 785.5785 2065.2085 1950.6282 105.6742 -206623.3982 18050.4937 0.0000 0.0000 34376.0453 -149289.7697 300.2146 -183665.8151 -149194.2160 299.3014 17.9399 44.1678 556096.4231 1.0650 1.2991 PRESSURE: 1186600 -230.237 184.521 142.253 184.522 -245.863 -80.6448 142.254 -80.6446 -168.129 GPRESSURE: 1186600 -240.183 234.641 75.3982 224.165 -172.282 -147.866 156.003 -62.545 -146.964 PRESSAVG: 1186600 26.0374 26.8187 27.7857 26.8186 -18.2438 60.5937 27.7856 60.5937 -17.7032 GPRESSAVG: 1186600 25.2303 29.056 27.7813 25.6309 -18.7833 59.9754 26.895 62.6816 -16.6901 TIMING: 1186600 CPU: 3568.49, 0.00299027/step Wall: 3568.49, 0.00299027/step, 3.16753 hours remaining, 207.128906 MB of memory in use. ENERGY: 1186600 725.9524 2066.6614 1938.2301 102.9572 -206276.8537 17557.8237 0.0000 0.0000 34242.7929 -149642.4359 299.0508 -183885.2288 -149543.7151 299.0602 -214.7426 -186.4766 559144.6770 -3.3032 -3.4143 PRESSURE: 1186800 -233.656 -41.1786 -45.7822 -41.1794 -376.803 49.6263 -45.7825 49.6255 287.884 GPRESSURE: 1186800 -152.842 72.9161 -77.6259 -93.2892 -372.028 100.886 -87.9476 -26.9607 296.992 PRESSAVG: 1186800 -3.36161 31.4212 -16.9398 31.4212 44.7373 -10.9287 -16.9397 -10.9287 -81.1344 GPRESSAVG: 1186800 -2.26202 32.6174 -17.9959 30.0493 44.103 -12.5945 -15.905 -12.163 -81.783 TIMING: 1186800 CPU: 3569.09, 0.00300055/step Wall: 3569.09, 0.00300055/step, 3.17825 hours remaining, 207.128906 MB of memory in use. ENERGY: 1186800 777.7176 2120.7904 1912.8578 111.6575 -206469.9855 17833.0103 0.0000 0.0000 34204.7007 -149509.2512 298.7182 -183713.9518 -149420.7923 298.7456 -107.5248 -75.9594 556915.8465 -13.2529 -13.3140 PRESSURE: 1187000 -79.3294 -31.1583 78.3053 -31.1581 -116.559 59.5341 78.3055 59.5339 -301.898 GPRESSURE: 1187000 -43.4858 34.6714 92.1404 -44.5664 -107.398 -35.1366 33.1887 120.119 -229.995 PRESSAVG: 1187000 -36.8086 10.9182 -12.0752 10.9183 77.8203 -23.5984 -12.0751 -23.5984 -7.44883 GPRESSAVG: 1187000 -37.7097 8.41964 -11.0104 12.3237 78.697 -24.2602 -12.1955 -21.728 -7.09376 TIMING: 1187000 CPU: 3569.69, 0.00300838/step Wall: 3569.69, 0.00300838/step, 3.18638 hours remaining, 207.128906 MB of memory in use. ENERGY: 1187000 750.1750 2074.6934 1942.5050 110.4272 -206380.9151 17742.7173 0.0000 0.0000 34364.6849 -149395.7123 300.1153 -183760.3972 -149308.7747 298.6799 -165.9288 -126.9596 557850.1205 11.1876 11.2978 PRESSURE: 1187200 -164.357 42.7348 24.7516 42.7363 -250.877 -33.9285 24.7515 -33.9277 -261.084 GPRESSURE: 1187200 -127.933 44.1816 8.89354 66.6727 -251.379 18.516 -55.483 -80.5409 -199.48 PRESSAVG: 1187200 29.2689 15.8376 -13.4955 15.8377 50.674 13.9526 -13.4955 13.9526 -41.8278 GPRESSAVG: 1187200 30.0325 17.3236 -12.3616 15.5203 50.026 15.9147 -13.4039 14.2548 -41.94 TIMING: 1187200 CPU: 3570.3, 0.00302306/step Wall: 3570.3, 0.00302306/step, 3.20176 hours remaining, 207.128906 MB of memory in use. ENERGY: 1187200 774.5069 2116.2604 1942.8550 114.7928 -206058.5835 17544.4579 0.0000 0.0000 34316.6187 -149249.0917 299.6956 -183565.7104 -149159.4742 299.8587 -225.4393 -192.9305 557955.2609 12.7050 12.7062 PRESSURE: 1187400 -310.843 -46.7513 -222.983 -46.7523 -238.859 -35.2881 -222.982 -35.2879 -189.914 GPRESSURE: 1187400 -286.349 -96.8249 -182.035 -66.9641 -202.005 42.2396 -184.208 -91.4926 -173.129 PRESSAVG: 1187400 -12.6154 15.3093 -15.3082 15.3093 33.7917 -26.5198 -15.3081 -26.5198 -39.3754 GPRESSAVG: 1187400 -12.1852 15.8475 -15.163 16.0177 34.4635 -27.4714 -14.1155 -28.0719 -40.5605 TIMING: 1187400 CPU: 3570.9, 0.00298519/step Wall: 3570.9, 0.00298519/step, 3.16148 hours remaining, 207.128906 MB of memory in use. ENERGY: 1187400 769.3588 2131.8055 1956.1741 96.7641 -206153.0609 17483.6531 0.0000 0.0000 34339.7279 -149375.5774 299.8974 -183715.3053 -149287.9949 299.9728 -246.5387 -220.4943 557765.0144 -6.0664 -6.0941 PRESSURE: 1187600 -200.94 7.28342 -121.406 7.28233 -205.249 18.9655 -121.407 18.9662 -321.37 GPRESSURE: 1187600 -148.368 -3.81006 -107.881 -12.0485 -192.271 88.5988 -135.176 47.1413 -299.048 PRESSAVG: 1187600 6.47531 11.7568 -21.4839 11.7569 -62.4977 28.6892 -21.4838 28.6893 101.405 GPRESSAVG: 1187600 6.36709 9.47316 -22.5626 11.4632 -62.6143 27.9003 -21.6929 30.0979 102.051 TIMING: 1187600 CPU: 3571.5, 0.00303308/step Wall: 3571.5, 0.00303308/step, 3.21203 hours remaining, 207.128906 MB of memory in use. ENERGY: 1187600 765.0021 2101.9641 1922.5752 115.6154 -206072.8292 17492.3263 0.0000 0.0000 34117.4410 -149557.9050 297.9561 -183675.3460 -149459.3481 298.4951 -242.5198 -213.2289 558051.8483 15.1274 15.2679 PRESSURE: 1187800 -75.1637 31.1967 14.5034 31.1959 -32.6471 39.8901 14.5045 39.8894 15.3503 GPRESSURE: 1187800 -69.2637 43.6804 86.5802 -12.579 19.5322 1.1235 -11.7045 81.9222 64.2703 PRESSAVG: 1187800 -23.9255 -5.45797 -25.5366 -5.45799 21.0158 45.0352 -25.5366 45.0351 9.9511 GPRESSAVG: 1187800 -23.5035 -5.27467 -26.7457 -5.51423 19.7603 49.6245 -26.1999 44.2384 10.1603 TIMING: 1187800 CPU: 3572.11, 0.00303217/step Wall: 3572.11, 0.00303217/step, 3.2109 hours remaining, 207.128906 MB of memory in use. ENERGY: 1187800 749.6806 2114.5941 1929.5917 109.2669 -206695.2445 17945.9764 0.0000 0.0000 34267.9071 -149578.2277 299.2702 -183846.1348 -149482.3589 298.3276 -30.8202 4.8463 557262.5971 2.3472 2.1390 PRESSURE: 1188000 -26.478 58.4489 -3.37593 58.4495 -6.70427 -83.3449 -3.37505 -83.3449 132.329 GPRESSURE: 1188000 18.8016 17.7236 29.3768 189.692 43.2174 -80.6366 42.4186 -125.441 133.436 PRESSAVG: 1188000 -14.2749 -12.5716 22.0619 -12.5715 15.0616 42.712 22.0619 42.7119 -18.7983 GPRESSAVG: 1188000 -14.3805 -11.6042 22.6689 -13.3417 15.0138 41.5862 22.457 41.4632 -18.9195 TIMING: 1188000 CPU: 3572.72, 0.00306335/step Wall: 3572.72, 0.00306335/step, 3.24374 hours remaining, 207.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1188000 763.9486 2065.9921 1943.7872 110.3818 -206275.5212 17859.7006 0.0000 0.0000 34012.1301 -149519.5810 297.0364 -183531.7110 -149424.2200 298.2792 33.0488 65.1516 557148.9456 -6.0039 -6.0954 PRESSURE: 1188200 -156.694 -68.4295 -86.2734 -68.4307 -101.704 -88.8381 -86.2747 -88.8396 233.887 GPRESSURE: 1188200 -67.3898 -150.298 -122.387 24.7219 -94.8664 -159.957 -37.6043 5.58351 218.275 PRESSAVG: 1188200 -25.4882 -28.5044 34.58 -28.5044 -12.3715 59.8811 34.58 59.8812 20.18 GPRESSAVG: 1188200 -24.8615 -27.6561 34.0783 -29.1665 -12.9681 56.2492 32.8211 61.8285 19.3611 TIMING: 1188200 CPU: 3573.33, 0.00306486/step Wall: 3573.33, 0.00306486/step, 3.24518 hours remaining, 207.128906 MB of memory in use. ENERGY: 1188200 758.7591 2083.1683 1926.5050 125.4191 -206493.9240 17766.2009 0.0000 0.0000 34402.4346 -149431.4369 300.4450 -183833.8715 -149337.1318 299.3296 -8.1703 18.6728 557385.6954 -5.8933 -6.1562 LDB: ============= START OF LOAD BALANCING ============== 3576.86 LDB: ============== END OF LOAD BALANCING =============== 3576.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3576.86 LDB: ============= START OF LOAD BALANCING ============== 3577.17 LDB: Largest compute 4800 load 0.025597 is 21.7% of average load 0.117924 LDB: Average compute 0.001735 is 1.5% of average load 0.117924 LDB: TIME 3577.17 LOAD: AVG 0.117924 MAX 0.216858 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.707 MB LDB: TIME 3577.17 LOAD: AVG 0.117924 MAX 0.216858 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.707 MB LDB: TIME 3577.17 LOAD: AVG 0.117924 MAX 0.216858 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.707 MB LDB: ============== END OF LOAD BALANCING =============== 3577.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3577.18 PRESSURE: 1188400 -72.4098 29.2532 -36.9467 29.2545 -4.32952 196.31 -36.9463 196.311 81.342 GPRESSURE: 1188400 -27.7131 8.85839 -141.943 -32.0537 7.6855 189.207 38.4493 171.606 124.002 PRESSAVG: 1188400 -11.5628 -29.2012 4.80148 -29.2011 -53.004 -3.79873 4.8015 -3.79869 49.0466 GPRESSAVG: 1188400 -12.7039 -27.5896 4.69723 -29.3033 -52.1778 -4.14125 3.02371 -2.53297 49.369 TIMING: 1188400 CPU: 3573.96, 0.00313194/step Wall: 3573.96, 0.00313194/step, 3.31602 hours remaining, 206.425781 MB of memory in use. ENERGY: 1188400 778.5640 2059.4031 1925.9093 119.5709 -206373.5275 17952.5739 0.0000 0.0000 34130.8508 -149406.6555 298.0732 -183537.5063 -149306.7123 298.9606 1.5342 34.6580 556835.6383 -5.1734 -5.1709 PRESSURE: 1188600 -87.1951 27.9244 49.3748 27.925 87.6358 129.574 49.3753 129.573 183.087 GPRESSURE: 1188600 -81.8932 -46.0861 112.242 25.8885 156.293 161.246 40.765 75.3565 204.537 PRESSAVG: 1188600 -36.4574 20.2768 -14.6757 20.2769 42.2087 10.3417 -14.6758 10.3417 33.4226 GPRESSAVG: 1188600 -36.627 18.1985 -13.364 22.9308 41.737 13.7062 -14.1014 5.85671 34.3515 TIMING: 1188600 CPU: 3574.57, 0.00305355/step Wall: 3574.57, 0.00305355/step, 3.23286 hours remaining, 206.425781 MB of memory in use. ENERGY: 1188600 761.5983 2099.3444 1917.8224 100.8876 -206532.1241 17909.3615 0.0000 0.0000 34176.3674 -149566.7425 298.4707 -183743.1098 -149469.6853 298.7528 61.1758 92.9786 555330.2217 13.0580 13.1538 PRESSURE: 1188800 -106.448 -82.8573 -59.4117 -82.8575 -26.822 42.0788 -59.4117 42.0786 222.631 GPRESSURE: 1188800 -69.1264 -121.393 -56.7709 12.5164 66.7873 134.652 -83.6615 28.7629 189.545 PRESSAVG: 1188800 -36.1568 -39.9454 -23.2357 -39.9455 -29.5073 59.0709 -23.2357 59.0709 31.0506 GPRESSAVG: 1188800 -35.9771 -39.8371 -25.4179 -42.5921 -29.0002 56.3561 -22.1678 62.8271 30.0991 TIMING: 1188800 CPU: 3575.18, 0.00304871/step Wall: 3575.18, 0.00304871/step, 3.22757 hours remaining, 206.425781 MB of memory in use. ENERGY: 1188800 733.0977 2035.4233 1923.2327 118.4065 -206431.7226 17798.2727 0.0000 0.0000 34221.5584 -149601.7312 298.8654 -183823.2896 -149503.1338 298.2666 29.7870 62.4020 556468.2798 -11.5378 -11.6261 PRESSURE: 1189000 175.132 5.87621 -185.888 5.87664 20.4516 117.888 -185.888 117.889 157.502 GPRESSURE: 1189000 174.492 13.9345 -247.683 19.4105 47.753 58.3783 -109.564 221.922 209.037 PRESSAVG: 1189000 -9.21218 21.4342 -94.3436 21.4341 3.03498 -19.1797 -94.3435 -19.1798 10.5936 GPRESSAVG: 1189000 -9.60019 20.65 -93.4624 22.2018 3.1103 -18.5531 -93.5053 -20.5357 11.2704 TIMING: 1189000 CPU: 3575.79, 0.00303992/step Wall: 3575.79, 0.00303992/step, 3.2181 hours remaining, 206.425781 MB of memory in use. ENERGY: 1189000 759.6024 2090.3181 1933.4785 120.4558 -206184.4557 17829.1567 0.0000 0.0000 34123.9194 -149327.5248 298.0127 -183451.4443 -149224.7788 298.0263 117.6951 143.7605 556548.0701 1.4721 1.5935 PRESSURE: 1189200 -25.6066 -45.7515 42.6787 -45.7531 -48.4475 -33.7105 42.6775 -33.7111 -63.4676 GPRESSURE: 1189200 7.30775 -43.4853 18.5922 -65.2933 -30.8669 43.2512 159.059 -39.9221 -14.3877 PRESSAVG: 1189200 18.5064 68.515 -15.3751 68.515 51.7268 -51.9066 -15.3752 -51.9066 -43.5681 GPRESSAVG: 1189200 19.1005 67.4361 -14.8972 68.5624 51.3177 -52.7133 -15.7151 -50.2618 -43.7281 TIMING: 1189200 CPU: 3576.39, 0.00302358/step Wall: 3576.39, 0.00302358/step, 3.20062 hours remaining, 206.425781 MB of memory in use. ENERGY: 1189200 773.1309 2107.8741 1933.6649 120.9835 -206092.2316 17700.9686 0.0000 0.0000 34183.6177 -149271.9920 298.5340 -183455.6096 -149180.0576 299.5240 -45.8406 -12.6490 557042.9780 8.8884 8.8967 PRESSURE: 1189400 -483.601 70.0195 -35.5046 70.019 170.815 -19.1716 -35.5047 -19.1723 -95.4868 GPRESSURE: 1189400 -448.058 41.709 9.3402 2.04523 200.42 4.15724 -44.9572 24.9903 -74.3962 PRESSAVG: 1189400 -44.269 -19.32 3.29205 -19.32 18.7006 -4.35125 3.2921 -4.35143 37.6209 GPRESSAVG: 1189400 -44.0488 -18.2075 3.97719 -19.1961 18.0204 -3.80278 3.19493 -4.2224 37.9394 TIMING: 1189400 CPU: 3577, 0.00300727/step Wall: 3577, 0.00300727/step, 3.18319 hours remaining, 206.425781 MB of memory in use. ENERGY: 1189400 738.5374 2067.1492 1967.2093 108.2912 -205942.2377 17601.2673 0.0000 0.0000 34343.2314 -149116.5518 299.9280 -183459.7832 -149019.4209 298.9500 -136.0911 -107.3446 558156.3712 4.0175 3.9703 PRESSURE: 1189600 -123.426 -98.9574 -121.361 -98.9569 -45.3292 128.448 -121.36 128.448 94.8142 GPRESSURE: 1189600 -53.7369 -101.406 -165.931 -137.02 -41.6604 129.911 -38.0764 123.129 108.431 PRESSAVG: 1189600 -36.9171 -33.3626 15.75 -33.3627 -4.09392 6.85518 15.7499 6.85536 81.9361 GPRESSAVG: 1189600 -37.3814 -34.2117 14.981 -32.2161 -3.32338 7.38251 15.8591 4.85341 81.3983 TIMING: 1189600 CPU: 3577.6, 0.00303881/step Wall: 3577.6, 0.00303881/step, 3.21641 hours remaining, 206.425781 MB of memory in use. ENERGY: 1189600 755.2559 2104.9087 1949.1409 116.8782 -206199.3126 17738.8479 0.0000 0.0000 34393.8894 -149140.3916 300.3704 -183534.2809 -149043.3392 300.3518 -24.6471 4.3446 557073.4387 13.6417 13.5645 PRESSURE: 1189800 -25.2715 -72.933 21.8268 -72.9332 -348.744 -58.2616 21.8283 -58.262 -262.105 GPRESSURE: 1189800 -23.4897 -96.3333 47.5609 -38.1063 -286.063 -103.258 52.9559 -73.4888 -232.639 PRESSAVG: 1189800 38.9552 -27.398 17.649 -27.3979 13.7046 8.5474 17.649 8.54739 -68.9645 GPRESSAVG: 1189800 40.3695 -25.6189 17.8352 -31.1774 13.3795 7.49295 16.5333 7.3437 -69.8234 TIMING: 1189800 CPU: 3578.21, 0.00304447/step Wall: 3578.21, 0.00304447/step, 3.22223 hours remaining, 206.425781 MB of memory in use. ENERGY: 1189800 729.3012 2123.4243 1934.6262 114.6309 -205956.9406 17565.4317 0.0000 0.0000 34279.0012 -149210.5251 299.3670 -183489.5264 -149115.5248 299.9118 -212.0402 -180.7304 558975.1963 -5.4349 -5.3581 PRESSURE: 1190000 -271.222 125.506 132.379 125.506 38.0731 -201.463 132.378 -201.462 -41.5698 GPRESSURE: 1190000 -276.122 117.602 92.0825 90.12 14.4878 -163.257 196.595 -204.237 99.5264 PRESSAVG: 1190000 -6.66885 -22.3388 -7.23721 -22.3389 -42.0153 -45.8069 -7.23719 -45.807 6.19836 GPRESSAVG: 1190000 -6.58991 -23.215 -7.74395 -21.717 -41.6294 -45.3735 -7.03605 -44.9482 6.66058 TIMING: 1190000 CPU: 3578.83, 0.00307567/step Wall: 3578.83, 0.00307567/step, 3.25508 hours remaining, 206.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1190000 759.3354 2095.3364 1916.9282 112.8159 -206312.2394 17895.8902 0.0000 0.0000 34057.4933 -149474.4400 297.4326 -183531.9333 -149378.5837 298.5700 -91.5728 -54.0358 558798.3821 -14.1619 -13.8529 PRESSURE: 1190200 177.304 -5.78701 -46.4718 -5.7871 136.977 87.24 -46.4709 87.2413 -4.72793 GPRESSURE: 1190200 129.02 -19.3422 -96.2528 13.0252 157.631 111.933 -37.556 113.289 113.857 PRESSAVG: 1190200 22.8929 -2.2867 33.8048 -2.28673 -2.40658 -9.83045 33.8047 -9.83048 2.44054 GPRESSAVG: 1190200 22.3191 -3.29431 32.3426 -1.45727 -2.55837 -9.48037 33.9051 -9.1106 3.22878 TIMING: 1190200 CPU: 3579.44, 0.00308812/step Wall: 3579.44, 0.00308812/step, 3.26809 hours remaining, 206.425781 MB of memory in use. ENERGY: 1190200 750.2602 2101.1690 1945.1907 105.0584 -206537.1193 17943.7559 0.0000 0.0000 34302.0746 -149389.6105 299.5685 -183691.6851 -149289.3555 298.7856 103.1844 133.5024 558017.7386 7.6423 7.6632 PRESSURE: 1190400 -329.845 -5.93501 -46.7813 -5.93473 -129.225 152.055 -46.7816 152.057 36.7096 GPRESSURE: 1190400 -225.204 -21.6382 -89.9997 -11.4314 -104.619 208.062 -5.92568 46.534 4.26572 PRESSAVG: 1190400 4.42329 -15.9966 -51.0233 -15.9966 -73.4324 1.47872 -51.0233 1.47871 52.891 GPRESSAVG: 1190400 5.42837 -15.1803 -49.3051 -15.5373 -73.4709 2.06397 -50.3164 0.517365 51.3682 TIMING: 1190400 CPU: 3580.05, 0.0030495/step Wall: 3580.05, 0.0030495/step, 3.22705 hours remaining, 206.425781 MB of memory in use. ENERGY: 1190400 749.3373 2084.9848 1938.7030 117.4408 -206198.6951 17840.3402 0.0000 0.0000 34072.9753 -149394.9138 297.5678 -183467.8890 -149301.8451 298.7395 -140.7869 -108.5189 558815.4970 -5.3727 -5.5581 PRESSURE: 1190600 114.185 131.67 228.653 131.67 -201.867 -71.7498 228.653 -71.7496 -149.94 GPRESSURE: 1190600 121.029 161.307 228.949 108.842 -167.79 -8.53496 173.466 -101.524 -91.201 PRESSAVG: 1190600 55.2344 -1.87817 62.6608 -1.87812 -31.9187 28.9579 62.6608 28.9579 34.4858 GPRESSAVG: 1190600 53.6126 -2.38039 63.7031 0.337133 -32.2985 28.4136 60.9814 29.8698 35.8412 TIMING: 1190600 CPU: 3580.67, 0.00305263/step Wall: 3580.67, 0.00305263/step, 3.23019 hours remaining, 206.425781 MB of memory in use. ENERGY: 1190600 744.9427 2110.1290 1902.5858 117.5202 -206207.5946 17884.3112 0.0000 0.0000 34125.9393 -149322.1664 298.0303 -183448.1057 -149223.9300 299.1353 -79.2071 -45.9876 558154.4744 19.2672 19.0518 PRESSURE: 1190800 -67.9305 -23.1281 36.2589 -23.1286 -13.5735 -37.3149 36.2591 -37.3147 55.7556 GPRESSURE: 1190800 -14.1389 -33.5368 43.6171 28.9354 34.2028 -71.2568 5.38743 -95.1334 46.7688 PRESSAVG: 1190800 -25.272 -18.9444 14.172 -18.9445 -3.4164 33.1134 14.172 33.1135 31.1204 GPRESSAVG: 1190800 -25.6295 -18.3854 12.7429 -20.4072 -2.06002 34.8797 14.7649 30.3983 30.0325 TIMING: 1190800 CPU: 3581.28, 0.00305804/step Wall: 3581.28, 0.00305804/step, 3.23575 hours remaining, 206.425781 MB of memory in use. ENERGY: 1190800 759.3044 1997.2154 1932.6915 108.1856 -206112.6934 17839.1176 0.0000 0.0000 34326.0005 -149150.1784 299.7775 -183476.1788 -149053.0528 299.2302 -8.5828 22.2776 557023.5647 0.8107 0.7810 PRESSURE: 1191000 -303.785 -5.40221 -78.8198 -5.40237 -197.158 -260.594 -78.8198 -260.593 -33.169 GPRESSURE: 1191000 -275.494 -44.6686 -75.5231 32.0501 -149.676 -233.147 -134.581 -206.114 -7.9923 PRESSAVG: 1191000 -105.07 29.7265 -6.57961 29.7265 30.7435 -12.4921 -6.57949 -12.4921 64.9105 GPRESSAVG: 1191000 -103.877 26.3036 -6.0538 29.4673 29.3786 -14.6721 -6.61912 -10.556 64.9839 TIMING: 1191000 CPU: 3581.89, 0.00304717/step Wall: 3581.89, 0.00304717/step, 3.22408 hours remaining, 206.425781 MB of memory in use. ENERGY: 1191000 759.3007 2087.0853 1931.6253 118.1922 -205845.7099 17687.1138 0.0000 0.0000 34284.8485 -148977.5441 299.4181 -183262.3926 -148889.0724 299.7034 -178.0373 -144.3876 558188.4403 -3.1388 -3.1715 PRESSURE: 1191200 -389.689 76.216 11.8382 76.2149 -77.2299 115.512 11.8397 115.512 -256.747 GPRESSURE: 1191200 -305.013 87.5684 -21.5476 14.0508 -107.693 197.755 -34.05 98.8707 -206.877 PRESSAVG: 1191200 -63.2966 40.5013 -67.0159 40.5014 -12.5449 9.66848 -67.0158 9.6685 64.6793 GPRESSAVG: 1191200 -62.6526 44.8929 -68.4662 37.8962 -13.072 10.6446 -67.5147 9.06586 64.2882 TIMING: 1191200 CPU: 3582.49, 0.00303227/step Wall: 3582.49, 0.00303227/step, 3.20814 hours remaining, 206.425781 MB of memory in use. ENERGY: 1191200 765.4521 2085.8930 1930.2229 125.9760 -205505.0358 17409.4875 0.0000 0.0000 34277.3167 -148910.6876 299.3523 -183188.0043 -148804.4900 300.2309 -241.2220 -206.5273 559046.3442 -3.7207 -3.8121 PRESSURE: 1191400 -150.366 -120.127 79.5372 -120.126 -54.3075 -18.3539 79.538 -18.3535 23.3393 GPRESSURE: 1191400 -115.654 -50.9591 37.1249 -25.6186 41.1305 12.6931 33.7962 -16.2448 2.42673 PRESSAVG: 1191400 -20.4702 15.213 -22.3027 15.2129 83.1524 57.6371 -22.3026 57.637 -67.0495 GPRESSAVG: 1191400 -21.6948 14.8525 -21.1977 17.587 84.6766 59.6135 -20.4239 55.9042 -67.2777 TIMING: 1191400 CPU: 3583.1, 0.0030378/step Wall: 3583.1, 0.0030378/step, 3.21382 hours remaining, 206.425781 MB of memory in use. ENERGY: 1191400 794.6862 2111.6417 1943.6337 104.5806 -206056.4208 17651.3223 0.0000 0.0000 34519.8543 -148930.7019 301.4705 -183450.5563 -148836.0236 300.1334 -60.4447 -24.0321 557112.6979 -1.4557 -1.4320 PRESSURE: 1191600 237.671 134.31 -127.11 134.311 214.943 -48.1749 -127.11 -48.1742 165.316 GPRESSURE: 1191600 281.107 138.19 -125.832 119.666 229.499 -163.208 -153.235 -41.4688 210.918 PRESSAVG: 1191600 8.52092 -16.5417 -31.6083 -16.5418 22.6387 26.7911 -31.6083 26.791 10.5323 GPRESSAVG: 1191600 9.25835 -17.6794 -31.8532 -16.9439 21.5228 24.9191 -33.6076 28.6197 11.5224 TIMING: 1191600 CPU: 3583.7, 0.00302282/step Wall: 3583.7, 0.00302282/step, 3.19781 hours remaining, 206.425781 MB of memory in use. ENERGY: 1191600 769.6839 2062.6762 1943.4836 113.7317 -206375.2087 18281.8774 0.0000 0.0000 34225.9239 -148977.8320 298.9035 -183203.7559 -148880.1346 300.3483 205.9769 240.5081 558008.7243 13.8973 14.1012 PRESSURE: 1191800 -68.7358 104.899 59.2944 104.899 -286.566 241.856 59.2946 241.855 -14.6082 GPRESSURE: 1191800 -25.1768 206.715 37.6217 -17.5284 -263.868 180.18 35.3564 316.398 24.7908 PRESSAVG: 1191800 4.29005 22.9672 -35.6443 22.9672 -21.9591 42.0125 -35.6443 42.0124 6.7633 GPRESSAVG: 1191800 3.98345 24.2054 -34.4275 20.7481 -22.2051 42.5864 -34.7494 42.6687 7.22949 TIMING: 1191800 CPU: 3584.31, 0.00304867/step Wall: 3584.31, 0.00304867/step, 3.22498 hours remaining, 206.425781 MB of memory in use. ENERGY: 1191800 763.9668 2065.0632 1918.8988 112.6380 -205564.9758 17453.4665 0.0000 0.0000 34266.8127 -148984.1297 299.2606 -183250.9424 -148886.0028 299.1649 -123.3032 -88.0847 558000.6976 -3.6352 -3.6641 PRESSURE: 1192000 84.2998 8.83123 -2.77269 8.83036 98.7027 -34.7986 -2.77147 -34.7982 -289.071 GPRESSURE: 1192000 61.3777 32.5953 -7.2948 -10.0592 201.247 -14.35 15.3565 -88.9572 -254.947 PRESSAVG: 1192000 -0.26649 -35.9394 11.8468 -35.9394 -44.547 -20.8542 11.8468 -20.8542 1.143 GPRESSAVG: 1192000 -0.17654 -37.2026 9.29172 -34.7394 -43.7137 -20.7855 12.6014 -25.0033 1.15049 TIMING: 1192000 CPU: 3584.92, 0.00304184/step Wall: 3584.92, 0.00304184/step, 3.21759 hours remaining, 206.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1192000 758.3397 2086.9612 1956.0553 116.4970 -205853.9106 17703.3352 0.0000 0.0000 34240.0899 -148992.6324 299.0272 -183232.7223 -148897.7933 300.2069 -35.3562 2.5592 555700.9427 -14.5568 -14.2466 PRESSURE: 1192200 -48.0043 -57.7948 124.362 -57.7946 -412.656 -97.3603 124.362 -97.3594 -131.38 GPRESSURE: 1192200 -11.7926 44.4357 114.841 -42.9673 -364.045 -93.5407 131.243 -121.468 -110.376 PRESSAVG: 1192200 59.6623 -8.81817 12.3087 -8.81813 -46.0924 -6.61016 12.3086 -6.61015 38.2333 GPRESSAVG: 1192200 58.6603 -7.36459 15.7521 -7.71285 -46.158 -6.09358 10.7393 -4.74437 38.1897 TIMING: 1192200 CPU: 3585.53, 0.00304302/step Wall: 3585.53, 0.00304302/step, 3.21867 hours remaining, 206.425781 MB of memory in use. ENERGY: 1192200 768.4635 2050.3855 1918.1480 123.2790 -205336.6105 17296.9204 0.0000 0.0000 34083.2477 -149096.1664 297.6575 -183179.4141 -149007.0220 300.1165 -197.3466 -162.0712 559161.2185 17.2677 16.8973 LDB: ============= START OF LOAD BALANCING ============== 3589.05 LDB: ============== END OF LOAD BALANCING =============== 3589.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3589.05 LDB: ============= START OF LOAD BALANCING ============== 3589.36 LDB: Largest compute 4800 load 0.025762 is 21.8% of average load 0.117910 LDB: Average compute 0.001732 is 1.5% of average load 0.117910 LDB: TIME 3589.36 LOAD: AVG 0.11791 MAX 0.216141 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.766 MB LDB: TIME 3589.36 LOAD: AVG 0.11791 MAX 0.216141 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.766 MB LDB: TIME 3589.36 LOAD: AVG 0.11791 MAX 0.216141 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.766 MB LDB: ============== END OF LOAD BALANCING =============== 3589.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3589.37 PRESSURE: 1192400 87.2477 -12.9769 34.6773 -12.9774 -129.778 10.9766 34.6764 10.977 15.9441 GPRESSURE: 1192400 138.173 -72.8512 77.1596 -0.178068 -76.6212 39.1003 91.4382 -86.3271 11.4821 PRESSAVG: 1192400 -20.1182 -5.47102 -2.34949 -5.4709 -29.2597 -7.90133 -2.34956 -7.90136 80.0953 GPRESSAVG: 1192400 -19.2102 -6.15592 -4.15629 -6.52978 -29.4126 -10.3126 -0.881775 -4.80101 79.6327 TIMING: 1192400 CPU: 3586.15, 0.00309662/step Wall: 3586.15, 0.00309662/step, 3.27519 hours remaining, 206.628906 MB of memory in use. ENERGY: 1192400 746.4885 2064.8234 1913.1641 113.9324 -206307.5933 17793.7623 0.0000 0.0000 34538.5966 -149136.8260 301.6342 -183675.4227 -149029.8063 299.5763 -8.8622 24.3445 558058.2528 10.2391 10.3367 PRESSURE: 1192600 -13.0466 129.179 -4.64419 129.178 -62.6656 -145.736 -4.64577 -145.736 8.5868 GPRESSURE: 1192600 9.5185 229.423 -104.254 9.46353 -41.738 -161.599 23.7419 -135.903 54.7784 PRESSAVG: 1192600 -49.204 -26.0978 -28.1402 -26.0979 -11.0833 -10.3867 -28.1401 -10.3866 55.0193 GPRESSAVG: 1192600 -48.476 -26.003 -27.6283 -25.8146 -11.3059 -9.36668 -29.6125 -13.3774 54.6697 TIMING: 1192600 CPU: 3586.76, 0.0030333/step Wall: 3586.76, 0.0030333/step, 3.20805 hours remaining, 206.628906 MB of memory in use. ENERGY: 1192600 782.3782 2080.9768 1931.2778 114.1733 -205988.7853 17648.7048 0.0000 0.0000 34269.5640 -149161.7105 299.2846 -183431.2745 -149065.6472 299.7148 -22.3751 7.5196 558363.7971 -1.7560 -1.7040 PRESSURE: 1192800 -86.5899 93.2322 -83.7403 93.2331 -25.1816 30.6793 -83.7393 30.6793 139.495 GPRESSURE: 1192800 -102.76 17.5832 -124.982 87.706 4.96098 69.1385 -82.9834 -4.25319 223.272 PRESSAVG: 1192800 -14.2382 -41.4653 13.2889 -41.4654 -2.62213 57.6072 13.2888 57.6072 34.8856 GPRESSAVG: 1192800 -14.58 -42.3933 12.0068 -42.7601 -2.24943 55.9026 13.855 58.7576 35.4214 TIMING: 1192800 CPU: 3587.36, 0.00302972/step Wall: 3587.36, 0.00302972/step, 3.20409 hours remaining, 206.628906 MB of memory in use. ENERGY: 1192800 774.6696 2025.5619 1957.5087 107.5764 -206262.0210 18026.3988 0.0000 0.0000 34178.1721 -149192.1335 298.4865 -183370.3056 -149101.3517 299.7319 9.2410 41.8245 558443.1804 6.0084 6.1973 PRESSURE: 1193000 155.494 -4.04992 110.334 -4.04975 248.412 11.8815 110.334 11.8817 -137.029 GPRESSURE: 1193000 128.297 -86.0544 89.2884 32.7044 290.773 55.7379 74.6701 -45.8858 -60.0666 PRESSAVG: 1193000 -8.79287 13.204 -6.11638 13.2041 25.6744 49.9991 -6.11637 49.999 -29.2546 GPRESSAVG: 1193000 -8.93122 12.2516 -4.37107 14.1834 25.7732 52.4514 -6.54674 47.6558 -29.1456 TIMING: 1193000 CPU: 3587.98, 0.00306172/step Wall: 3587.98, 0.00306172/step, 3.23776 hours remaining, 206.628906 MB of memory in use. ENERGY: 1193000 753.6863 2141.8439 1930.2718 115.7734 -205810.0176 17861.2861 0.0000 0.0000 34005.4893 -149001.6668 296.9784 -183007.1562 -148903.7971 298.8760 88.9588 119.6678 558577.2297 -4.1244 -4.1012 PRESSURE: 1193200 -34.7999 -117.908 32.6215 -117.907 -191.256 55.6784 32.6219 55.6783 99.3901 GPRESSURE: 1193200 -28.0288 -180.978 -67.171 -14.9957 -188.821 103.751 67.9575 83.6881 195.534 PRESSAVG: 1193200 -4.03795 -37.8983 -27.0216 -37.8983 -42.5198 19.286 -27.0217 19.286 -4.82509 GPRESSAVG: 1193200 -4.55478 -36.7437 -28.5285 -37.6315 -43.2336 16.6526 -26.1955 22.1019 -3.72231 TIMING: 1193200 CPU: 3588.59, 0.0030712/step Wall: 3588.59, 0.0030712/step, 3.24762 hours remaining, 206.628906 MB of memory in use. ENERGY: 1193200 733.7926 2100.8660 1927.1718 106.5612 -206115.5321 17849.8870 0.0000 0.0000 34346.0452 -149051.2084 299.9526 -183397.2536 -148958.2763 299.1209 -42.2220 -7.1055 558154.7352 -17.1276 -17.1702 PRESSURE: 1193400 242.615 -166.732 158.444 -166.734 -154.829 -73.1928 158.444 -73.1923 -93.8602 GPRESSURE: 1193400 272.689 -225.318 231.527 -144.656 -84.8102 -100.867 33.717 10.4728 -101.593 PRESSAVG: 1193400 63.4272 -83.0184 17.0841 -83.0183 -31.1368 16.5129 17.0841 16.5129 -8.77425 GPRESSAVG: 1193400 64.082 -81.1061 19.0071 -84.7239 -31.0685 17.7742 15.4833 16.6895 -9.69474 TIMING: 1193400 CPU: 3589.21, 0.00308954/step Wall: 3589.21, 0.00308954/step, 3.26685 hours remaining, 206.628906 MB of memory in use. ENERGY: 1193400 754.1900 2119.4762 1935.7790 114.5315 -205881.1416 17806.8249 0.0000 0.0000 34425.3064 -148725.0336 300.6448 -183150.3400 -148624.8239 300.0457 -2.0248 28.7620 556597.8069 7.8387 7.7729 PRESSURE: 1193600 -170.325 94.6074 -30.4377 94.6075 -68.1812 -52.2045 -30.4371 -52.2056 -40.8481 GPRESSURE: 1193600 -93.31 50.0917 27.9575 76.2174 -46.3 -98.745 -77.6012 -119.664 -32.6183 PRESSAVG: 1193600 39.3421 -9.0913 27.3028 -9.09115 24.7649 28.4292 27.3029 28.4293 -43.181 GPRESSAVG: 1193600 38.5476 -10.3638 25.5835 -5.66304 25.8045 27.7764 27.3449 28.1172 -43.3832 TIMING: 1193600 CPU: 3589.82, 0.00304714/step Wall: 3589.82, 0.00304714/step, 3.22184 hours remaining, 206.628906 MB of memory in use. ENERGY: 1193600 738.4626 2128.2798 1946.9235 119.7715 -205509.8179 17480.1476 0.0000 0.0000 34343.7950 -148752.4379 299.9329 -183096.2329 -148654.2012 300.2246 -93.1182 -57.4095 557358.7471 6.9753 6.9896 PRESSURE: 1193800 107.046 17.097 72.7368 17.0966 0.795426 17.1617 72.7376 17.1622 111.577 GPRESSURE: 1193800 177.056 43.4533 32.6141 30.662 52.1301 25.254 159.582 57.5914 83.2145 PRESSAVG: 1193800 26.8601 19.7548 13.4883 19.7548 8.35827 -14.3924 13.4883 -14.3923 -1.40784 GPRESSAVG: 1193800 27.9421 21.6223 14.5744 15.5435 7.37752 -11.8079 14.6787 -17.2041 -1.6722 TIMING: 1193800 CPU: 3590.42, 0.00303559/step Wall: 3590.42, 0.00303559/step, 3.20946 hours remaining, 206.628906 MB of memory in use. ENERGY: 1193800 742.7476 2123.5881 1933.6293 115.8799 -205726.5345 17758.0500 0.0000 0.0000 34274.2866 -148778.3528 299.3259 -183052.6394 -148685.1548 301.0193 73.1392 104.1335 556736.9252 11.2702 11.2158 PRESSURE: 1194000 -59.0771 51.4604 206.808 51.4604 -115.719 7.59809 206.808 7.59871 -42.8418 GPRESSURE: 1194000 -5.43936 75.4698 205.271 77.9738 -44.5941 78.6046 185.105 1.51081 -62.2172 PRESSAVG: 1194000 40.9401 -29.3754 39.2556 -29.3754 23.5414 7.19159 39.2557 7.19155 -72.2002 GPRESSAVG: 1194000 40.6944 -31.8245 39.8058 -26.325 23.3552 6.10372 38.879 8.05895 -71.7017 TIMING: 1194000 CPU: 3591.03, 0.00303768/step Wall: 3591.03, 0.00303768/step, 3.2115 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: 1194000 695.8475 2073.3688 1918.6975 116.8347 -205750.2861 17641.2791 0.0000 0.0000 34524.1621 -148780.0964 301.5081 -183304.2585 -148682.7403 300.6767 -72.5461 -37.4169 557766.0161 -2.5729 -2.5507 PRESSURE: 1194200 -120.686 43.0087 193.91 43.009 163.493 58.2618 193.909 58.2618 111.291 GPRESSURE: 1194200 -42.0547 125.158 179.828 127.966 101.961 28.7955 189.538 48.7358 179.276 PRESSAVG: 1194200 80.3133 3.6866 40.8707 3.68646 -34.0411 -19.1513 40.8707 -19.1513 -6.67563 GPRESSAVG: 1194200 79.5283 4.09758 38.2442 2.92029 -34.3876 -20.4307 41.7743 -17.6801 -5.88124 TIMING: 1194200 CPU: 3591.64, 0.00303571/step Wall: 3591.64, 0.00303571/step, 3.20925 hours remaining, 206.628906 MB of memory in use. ENERGY: 1194200 775.3810 2079.9284 1931.8262 108.1029 -206143.6152 17757.9542 0.0000 0.0000 34454.8242 -149035.5984 300.9025 -183490.4226 -148938.0723 300.2080 51.3662 79.7277 555185.8744 13.1988 13.0865 PRESSURE: 1194400 127.362 92.2489 -18.4137 92.2506 234.857 40.3239 -18.4134 40.3247 320.469 GPRESSURE: 1194400 180.473 112.357 -25.0831 15.323 246.957 -48.8611 -55.2017 15.418 350.185 PRESSAVG: 1194400 73.8764 -17.2307 -38.0372 -17.2307 -52.4888 3.15167 -38.0371 3.15164 16.5195 GPRESSAVG: 1194400 74.8796 -14.0944 -36.4572 -19.7768 -52.093 4.09091 -38.6862 3.8177 15.3021 TIMING: 1194400 CPU: 3592.24, 0.00301791/step Wall: 3592.24, 0.00301791/step, 3.19026 hours remaining, 206.628906 MB of memory in use. ENERGY: 1194400 749.9187 2117.6343 1914.7446 107.5876 -206536.8912 18178.1131 0.0000 0.0000 34470.3792 -148998.5136 301.0384 -183468.8928 -148895.8462 300.5911 227.5629 259.2049 558047.0530 12.6357 12.6962 PRESSURE: 1194600 111.685 48.7151 130.714 48.7158 -2.12691 -202.498 130.714 -202.498 195.672 GPRESSURE: 1194600 131.128 2.10354 186.354 65.3374 36.585 -222.447 69.6123 -194.859 244.572 PRESSAVG: 1194600 8.1477 -7.97645 -22.7313 -7.97638 48.469 -53.1293 -22.7312 -53.1293 -35.357 GPRESSAVG: 1194600 7.47816 -10.8046 -22.9249 -4.53895 48.1625 -54.8359 -22.9288 -53.7834 -34.9307 TIMING: 1194600 CPU: 3592.85, 0.0030149/step Wall: 3592.85, 0.0030149/step, 3.18692 hours remaining, 206.628906 MB of memory in use. ENERGY: 1194600 755.4136 2071.2681 1964.7977 115.6233 -206273.0076 18068.2990 0.0000 0.0000 34437.1057 -148860.5003 300.7478 -183297.6059 -148770.0048 300.3836 101.7435 137.4282 557991.0707 7.0866 6.9033 PRESSURE: 1194800 -63.3044 -139.876 52.099 -139.876 -90.3615 131.231 52.0989 131.231 51.8903 GPRESSURE: 1194800 -8.05302 -110.174 128.014 -137.47 -25.6263 145.211 -119.575 116.974 43.064 PRESSAVG: 1194800 33.3322 -7.82513 -1.7585 -7.82504 -47.4771 -6.09012 -1.75855 -6.09014 -16.824 GPRESSAVG: 1194800 34.201 -5.19647 0.175702 -9.73716 -46.9131 -4.46541 -4.19717 -5.45557 -17.9832 TIMING: 1194800 CPU: 3593.45, 0.0030023/step Wall: 3593.45, 0.0030023/step, 3.17343 hours remaining, 206.628906 MB of memory in use. ENERGY: 1194800 745.1957 2111.3966 1938.6462 111.9300 -205866.1958 17727.5543 0.0000 0.0000 34349.1436 -148882.3293 299.9796 -183231.4729 -148787.9538 299.8928 -33.9252 3.1282 558738.6675 -10.3230 -10.2318 PRESSURE: 1195000 -122.781 -148.968 47.7544 -148.968 12.6653 -108.451 47.7561 -108.449 -39.8973 GPRESSURE: 1195000 -92.1608 -105.281 77.503 -138.966 5.75808 -45.5534 27.5064 -107.188 41.9503 PRESSAVG: 1195000 32.1289 -66.3375 59.2557 -66.3376 -45.8293 -72.0822 59.2558 -72.0821 26.1975 GPRESSAVG: 1195000 31.3319 -69.4126 56.4897 -66.1015 -45.4453 -73.0202 63.2327 -72.2718 27.0502 TIMING: 1195000 CPU: 3594.05, 0.00300953/step Wall: 3594.05, 0.00300953/step, 3.1809 hours remaining, 206.628906 MB of memory in use. ENERGY: 1195000 699.6052 2025.1013 1954.4477 111.6185 -205731.9482 17577.9021 0.0000 0.0000 34372.4433 -148990.8302 300.1831 -183363.2735 -148895.3923 300.3461 -50.0045 -14.8175 557756.5600 4.1657 4.3123 PRESSURE: 1195200 -24.8723 -57.3314 24.2199 -57.3316 -15.856 -86.1706 24.22 -86.1697 -136.512 GPRESSURE: 1195200 23.2461 -44.6684 59.3239 -61.48 7.70349 2.55066 20.1616 -103.19 -98.5611 PRESSAVG: 1195200 -18.8344 -57.8091 34.179 -57.8091 5.73093 33.7138 34.179 33.7139 0.411479 GPRESSAVG: 1195200 -18.2244 -57.95 35.6514 -56.4196 5.68927 35.1395 30.7687 34.2561 0.311823 TIMING: 1195200 CPU: 3594.65, 0.00300838/step Wall: 3594.65, 0.00300838/step, 3.17953 hours remaining, 206.628906 MB of memory in use. ENERGY: 1195200 745.4333 2077.3682 1921.2257 112.3738 -206044.0088 17661.7415 0.0000 0.0000 34298.7215 -149227.1448 299.5393 -183525.8662 -149135.0173 299.6763 -59.0802 -22.5371 557635.4773 -4.2307 -4.0744 PRESSURE: 1195400 198.438 70.6674 146.303 70.6675 -68.929 250.609 146.303 250.61 122.758 GPRESSURE: 1195400 178.328 67.9157 108.903 59.7224 -18.8928 300.009 227.803 208.488 183.593 PRESSAVG: 1195400 -7.99672 -32.3771 11.1912 -32.3771 -28.3719 -10.5858 11.1911 -10.5858 39.3154 GPRESSAVG: 1195400 -8.14636 -31.1126 9.78005 -33.3401 -28.468 -10.7662 14.9961 -11.2407 39.5907 TIMING: 1195400 CPU: 3595.26, 0.00304699/step Wall: 3595.26, 0.00304699/step, 3.22016 hours remaining, 206.628906 MB of memory in use. ENERGY: 1195400 765.4709 2183.0184 1919.1254 109.7094 -206127.0926 17814.4334 0.0000 0.0000 34321.2089 -149014.1263 299.7357 -183335.3352 -148917.8607 298.7438 84.0891 114.3427 556933.0084 0.9822 0.9921 PRESSURE: 1195600 -82.4431 78.1985 -12.8123 78.1986 125.578 -100.383 -12.8112 -100.383 175.73 GPRESSURE: 1195600 0.155306 44.1199 14.7576 147.919 110.657 -176.566 -108.785 2.88849 199.739 PRESSAVG: 1195600 12.6996 -19.0562 -19.5373 -19.0562 -44.4644 12.1559 -19.5373 12.156 41.7419 GPRESSAVG: 1195600 12.6441 -20.5091 -17.1262 -19.432 -44.9291 13.2177 -20.2474 12.3284 42.2062 TIMING: 1195600 CPU: 3595.87, 0.003052/step Wall: 3595.87, 0.003052/step, 3.22529 hours remaining, 206.628906 MB of memory in use. ENERGY: 1195600 727.3940 2083.7441 1916.9897 106.9207 -205924.1361 17834.1351 0.0000 0.0000 34293.8749 -148961.0777 299.4969 -183254.9526 -148866.1737 299.8890 72.9552 103.5171 558632.3430 3.3257 3.3071 PRESSURE: 1195800 232.9 -56.5066 -85.0697 -56.5082 -29.1848 -127.563 -85.0711 -127.564 -46.8329 GPRESSURE: 1195800 233.232 -38.5851 -54.8682 15.689 16.6681 -104.42 -139.513 -147.028 -1.63453 PRESSAVG: 1195800 -14.1123 -16.2656 -4.33673 -16.2656 -5.25074 -24.0291 -4.33671 -24.0293 67.3418 GPRESSAVG: 1195800 -14.5831 -15.0167 -4.83799 -17.388 -5.04327 -26.7882 -4.93069 -23.9292 67.1471 TIMING: 1195800 CPU: 3596.48, 0.00305042/step Wall: 3596.48, 0.00305042/step, 3.22345 hours remaining, 206.628906 MB of memory in use. ENERGY: 1195800 724.6881 2113.9372 1941.2113 128.7569 -206249.9555 17861.2779 0.0000 0.0000 34290.7503 -149189.3338 299.4697 -183480.0841 -149091.7764 300.2796 52.2942 82.7554 557188.9229 15.9929 15.8402 PRESSURE: 1196000 45.4572 55.0814 139.461 55.081 1.59406 -33.4161 139.461 -33.4172 34.8392 GPRESSURE: 1196000 29.5542 42.7757 114.414 115.626 41.2486 -106.304 138.818 68.2027 99.607 PRESSAVG: 1196000 -37.5677 -13.5758 41.7898 -13.5757 -9.20606 -33.4225 41.79 -33.4225 31.2663 GPRESSAVG: 1196000 -37.4739 -12.7995 43.1685 -13.3797 -9.71948 -31.6477 42.3139 -33.1786 32.0141 TIMING: 1196000 CPU: 3597.08, 0.00299072/step Wall: 3597.08, 0.00299072/step, 3.16019 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: 1196000 755.7292 2057.4398 1945.2347 103.9559 -206348.0237 18068.2903 0.0000 0.0000 34200.0302 -149217.3436 298.6774 -183417.3738 -149117.7460 298.7505 27.2968 56.8033 558354.7818 -5.1692 -5.0598 PRESSURE: 1196200 -289.426 166.128 -128.73 166.128 -231.043 -131.938 -128.729 -131.939 -138.096 GPRESSURE: 1196200 -224.341 77.8259 -36.8542 175.399 -221.443 -126.36 -186.073 -107.094 -110.929 PRESSAVG: 1196200 -10.9843 3.25721 -28.9011 3.25732 0.719452 -8.70322 -28.9012 -8.7033 24.5611 GPRESSAVG: 1196200 -11.0174 3.21682 -30.2567 3.19954 1.55955 -9.75121 -29.6387 -10.4417 23.6761 TIMING: 1196200 CPU: 3597.68, 0.00298714/step Wall: 3597.68, 0.00298714/step, 3.15625 hours remaining, 206.628906 MB of memory in use. ENERGY: 1196200 738.0075 2020.5520 1950.9821 111.4041 -205594.8014 17383.9791 0.0000 0.0000 34299.9679 -149089.9087 299.5502 -183389.8766 -148997.5728 299.1974 -219.5215 -185.5710 558639.5709 4.7654 4.7394 LDB: ============= START OF LOAD BALANCING ============== 3601.19 LDB: ============== END OF LOAD BALANCING =============== 3601.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3601.19 LDB: ============= START OF LOAD BALANCING ============== 3601.5 LDB: Largest compute 4800 load 0.025792 is 21.9% of average load 0.117802 LDB: Average compute 0.001737 is 1.5% of average load 0.117802 LDB: TIME 3601.5 LOAD: AVG 0.117802 MAX 0.211429 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.941 MB LDB: TIME 3601.5 LOAD: AVG 0.117802 MAX 0.211429 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.145 MB LDB: TIME 3601.5 LOAD: AVG 0.117802 MAX 0.211429 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.145 MB LDB: ============== END OF LOAD BALANCING =============== 3601.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3601.51 PRESSURE: 1196400 100.286 -95.5248 22.3156 -95.5235 -195.165 138.846 22.3157 138.845 58.8743 GPRESSURE: 1196400 132.132 -147.693 41.5995 -14.6878 -197.128 -10.1536 -66.28 179.39 125.262 PRESSAVG: 1196400 20.0499 2.6537 7.56141 2.65362 -52.3682 -53.3748 7.56145 -53.3746 23.8444 GPRESSAVG: 1196400 20.3631 1.18958 6.73982 3.13572 -53.1566 -57.1203 6.08295 -50.4786 24.7508 TIMING: 1196400 CPU: 3598.29, 0.00307555/step Wall: 3598.29, 0.00307555/step, 3.24949 hours remaining, 207.195312 MB of memory in use. ENERGY: 1196400 719.2512 2067.8273 1927.9458 115.4267 -206546.5261 17920.9824 0.0000 0.0000 34428.1134 -149366.9794 300.6693 -183795.0928 -149272.0077 299.1652 -12.0013 20.0885 557664.6543 -2.8246 -2.6809 PRESSURE: 1196600 -85.6781 116.447 88.4654 116.447 29.3593 -86.1023 88.4651 -86.1022 -46.22 GPRESSURE: 1196600 -98.6532 131.03 79.7187 118.654 106.867 -186.32 42.1571 -66.5146 -11.3943 PRESSAVG: 1196600 36.1072 14.1618 30.6499 14.1618 -62.4023 -44.2264 30.6498 -44.2264 63.1226 GPRESSAVG: 1196600 35.3621 14.1232 30.8169 12.8218 -61.6831 -41.8902 32.9282 -45.492 63.1291 TIMING: 1196600 CPU: 3598.9, 0.00305367/step Wall: 3598.9, 0.00305367/step, 3.2262 hours remaining, 207.195312 MB of memory in use. ENERGY: 1196600 753.5947 2098.1113 1914.7126 111.4536 -206313.6150 17757.8555 0.0000 0.0000 34424.1229 -149253.7644 300.6344 -183677.8873 -149154.1771 298.9490 -34.1796 -1.0603 557014.3952 12.2759 12.2694 PRESSURE: 1196800 34.5112 -65.3182 -105.183 -65.3191 -53.0198 26.2314 -105.181 26.2313 85.7723 GPRESSURE: 1196800 90.5627 -14.12 -76.9664 -123.028 -36.8266 -4.7533 -179.361 16.6178 126.378 PRESSAVG: 1196800 -53.4414 14.5465 28.3463 14.5465 -12.7861 -21.2457 28.3462 -21.2457 56.4081 GPRESSAVG: 1196800 -52.2438 16.0099 29.6607 16.078 -12.5648 -19.8631 27.4152 -21.9781 55.6382 TIMING: 1196800 CPU: 3599.51, 0.00303754/step Wall: 3599.51, 0.00303754/step, 3.20899 hours remaining, 207.195312 MB of memory in use. ENERGY: 1196800 757.0178 2087.9140 1935.7923 114.2346 -206479.1855 17843.6053 0.0000 0.0000 34488.0346 -149252.5870 301.1926 -183740.6215 -149155.2769 299.6973 22.4212 60.0381 556159.7988 -3.2732 -3.0568 PRESSURE: 1197000 -61.1652 -19.7392 143.221 -19.7399 230.303 59.9439 143.221 59.943 194.77 GPRESSURE: 1197000 -39.413 -36.5552 11.4462 45.5014 230.731 34.7975 177.426 159.616 276.783 PRESSAVG: 1197000 -4.30289 -56.9947 89.4018 -56.9947 20.2165 1.32469 89.4018 1.32448 -2.24579 GPRESSAVG: 1197000 -5.16605 -57.0749 88.6967 -55.6736 20.5174 2.2568 89.893 2.05144 -1.93316 TIMING: 1197000 CPU: 3600.11, 0.00302271/step Wall: 3600.11, 0.00302271/step, 3.19316 hours remaining, 207.195312 MB of memory in use. ENERGY: 1197000 750.6778 2109.8280 1943.5019 103.9477 -206240.8726 17792.9871 0.0000 0.0000 34163.3407 -149376.5895 298.3570 -183539.9302 -149279.5453 298.8454 121.3028 156.0337 556140.4118 4.5559 4.4727 PRESSURE: 1197200 -24.8763 -74.7019 -40.217 -74.7033 -88.9924 -117.841 -40.2174 -117.841 -104.378 GPRESSURE: 1197200 23.41 -128.976 9.75505 -12.2383 -62.0502 -122.99 -38.1347 -91.0961 -70.1167 PRESSAVG: 1197200 -43.317 38.0232 -14.2035 38.023 40.6604 28.2513 -14.2036 28.2513 -11.1635 GPRESSAVG: 1197200 -43.4174 36.4564 -15.8437 37.8851 39.2687 27.852 -15.1647 29.8989 -9.78704 TIMING: 1197200 CPU: 3600.72, 0.00304364/step Wall: 3600.72, 0.00304364/step, 3.21509 hours remaining, 207.195312 MB of memory in use. ENERGY: 1197200 762.7050 2094.9785 1914.2124 112.8521 -206166.4465 17616.3550 0.0000 0.0000 34255.5018 -149409.8419 299.1618 -183665.3437 -149315.9907 298.7689 -72.7490 -36.2523 555538.1880 -4.6067 -4.6453 PRESSURE: 1197400 64.0613 187.413 60.3257 187.414 255.622 50.4374 60.3265 50.4389 -19.1238 GPRESSURE: 1197400 76.5788 250.103 12.3333 125.057 276.166 9.16895 191.677 44.7991 56.8471 PRESSAVG: 1197400 -5.79854 -38.944 -26.831 -38.9439 6.00838 4.9434 -26.831 4.94333 1.64928 GPRESSAVG: 1197400 -6.10361 -38.9242 -25.7089 -40.1009 8.5655 4.51238 -24.7665 3.38784 -0.769278 TIMING: 1197400 CPU: 3601.33, 0.00304093/step Wall: 3601.33, 0.00304093/step, 3.21207 hours remaining, 207.457031 MB of memory in use. ENERGY: 1197400 771.1245 2108.3514 1917.9109 104.9164 -207067.7731 18331.6298 0.0000 0.0000 34226.5182 -149607.3218 298.9087 -183833.8400 -149506.8409 299.3349 100.1865 136.5305 556390.5825 0.6197 0.5642 PRESSURE: 1197600 30.0907 74.7293 -81.8324 74.7285 -100.458 40.5331 -81.8319 40.5335 59.709 GPRESSURE: 1197600 45.637 48.1536 -99.9181 182.936 -81.9054 36.2326 -63.0169 115.85 119.586 PRESSAVG: 1197600 -6.6854 2.17689 34.0039 2.17686 -30.2746 5.70614 34.0039 5.70607 22.1926 GPRESSAVG: 1197600 -6.88679 4.06251 32.9958 3.0715 -30.7155 5.50304 32.7522 5.66914 22.5346 TIMING: 1197600 CPU: 3601.94, 0.00302567/step Wall: 3601.94, 0.00302567/step, 3.19578 hours remaining, 207.457031 MB of memory in use. ENERGY: 1197600 762.1878 2102.7028 1929.2819 129.4814 -206548.9282 17895.1278 0.0000 0.0000 34183.3900 -149546.7565 298.5320 -183730.1464 -149451.7613 298.3705 -3.5528 27.7724 556589.7676 -4.9225 -5.0226 PRESSURE: 1197800 -95.161 -137.076 85.5436 -137.075 360.234 -47.5908 85.5443 -47.5929 -237.666 GPRESSURE: 1197800 -24.3934 -137.812 76.0323 -45.6307 387.62 -58.9603 131.912 -13.3369 -240.275 PRESSAVG: 1197800 -21.9051 4.18378 0.371795 4.18385 85.1977 -29.863 0.371845 -29.8629 -26.2526 GPRESSAVG: 1197800 -20.8568 3.15014 -0.00750898 5.28959 84.4745 -30.413 2.83205 -28.9944 -26.4979 TIMING: 1197800 CPU: 3602.55, 0.00307372/step Wall: 3602.55, 0.00307372/step, 3.24636 hours remaining, 207.457031 MB of memory in use. ENERGY: 1197800 719.5551 2127.8670 1918.2703 108.9918 -206387.1988 17753.7568 0.0000 0.0000 34333.0938 -149425.6640 299.8394 -183758.7578 -149326.3926 299.6790 9.1355 40.9841 556015.8426 12.3467 12.3732 PRESSURE: 1198000 -74.156 27.2545 -64.0967 27.254 -149.793 -85.6456 -64.096 -85.6454 -374.617 GPRESSURE: 1198000 -53.1052 100.577 -10.2916 12.0253 -94.398 -122.753 -44.2455 -51.0522 -350.894 PRESSAVG: 1198000 -6.24619 -60.1433 -2.64522 -60.1433 126.292 -47.319 -2.64517 -47.319 -121.636 GPRESSAVG: 1198000 -8.52195 -57.9598 1.6666 -63.8979 126.92 -48.1574 -6.18757 -46.236 -120.378 TIMING: 1198000 CPU: 3603.16, 0.00302758/step Wall: 3603.16, 0.00302758/step, 3.19747 hours remaining, 207.457031 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: 1198000 712.9497 2114.8975 1913.5004 104.5343 -205913.0798 17511.4428 0.0000 0.0000 34235.6451 -149320.1098 298.9884 -183555.7550 -149228.3772 298.9520 -199.5221 -166.1324 557905.8303 -0.5299 -0.6599 PRESSURE: 1198200 -143.885 -24.5396 20.7774 -24.5397 283.164 31.6104 20.7778 31.6088 -62.3512 GPRESSURE: 1198200 -177.028 -54.4878 -12.2628 -42.7369 270.902 -14.5137 50.927 124.667 64.1792 PRESSAVG: 1198200 26.3624 -47.5218 3.39789 -47.5217 41.2945 -31.2394 3.39795 -31.2394 -16.7005 GPRESSAVG: 1198200 26.8873 -49.6104 2.10039 -44.3985 41.6228 -28.4956 2.87527 -34.2477 -17.2751 TIMING: 1198200 CPU: 3603.76, 0.0030289/step Wall: 3603.76, 0.0030289/step, 3.19869 hours remaining, 207.457031 MB of memory in use. ENERGY: 1198200 751.1974 2115.8033 1940.4991 108.7349 -206186.3678 17896.3051 0.0000 0.0000 34104.9982 -149268.8299 297.8474 -183373.8281 -149171.5501 299.2304 25.6427 52.6844 557488.4244 16.9855 17.0783 PRESSURE: 1198400 145.822 -151.971 16.8636 -151.971 23.8278 88.3632 16.8648 88.3617 -153.601 GPRESSURE: 1198400 182.322 -89.0089 -60.1615 -152.219 61.1938 76.8514 -31.878 88.5007 -116.328 PRESSAVG: 1198400 -6.31436 -8.7428 -13.8642 -8.74278 6.58028 34.2805 -13.8642 34.2807 -0.24398 GPRESSAVG: 1198400 -6.4077 -7.48474 -15.1758 -9.26215 6.88438 32.9834 -11.9962 35.4951 -0.193021 TIMING: 1198400 CPU: 3604.36, 0.00299343/step Wall: 3604.36, 0.00299343/step, 3.16106 hours remaining, 207.523438 MB of memory in use. ENERGY: 1198400 725.2397 2110.0221 1890.3566 111.5199 -206195.8952 17960.5813 0.0000 0.0000 34250.6434 -149147.5322 299.1194 -183398.1756 -149047.6714 299.2958 5.3495 42.3960 558936.0730 0.0073 0.0946 PRESSURE: 1198600 207.098 194.418 22.3739 194.417 70.8745 35.7648 22.3742 35.7646 66.7243 GPRESSURE: 1198600 233.17 228.912 -29.3247 128.494 137.66 -27.0078 49.6 60.3149 71.8085 PRESSAVG: 1198600 46.2428 -2.66904 -10.6113 -2.66904 21.2925 -13.4666 -10.6115 -13.4666 -40.6245 GPRESSAVG: 1198600 46.7088 -3.98584 -11.5692 -2.63139 20.2422 -13.8112 -10.0066 -14.2609 -39.8198 TIMING: 1198600 CPU: 3604.97, 0.00303409/step Wall: 3604.97, 0.00303409/step, 3.20383 hours remaining, 207.523438 MB of memory in use. ENERGY: 1198600 714.7168 2087.9057 1928.0512 119.4100 -206269.8389 18093.1397 0.0000 0.0000 34378.7097 -148947.9058 300.2378 -183326.6155 -148848.4061 299.4283 114.8989 147.5462 557578.4727 8.9703 9.0437 PRESSURE: 1198800 -228.974 86.2922 92.0874 86.2933 -219.018 213.365 92.0862 213.365 49.6061 GPRESSURE: 1198800 -248.773 134.601 73.0067 87.8275 -136.454 173.462 78.2678 241.367 94.4165 PRESSAVG: 1198800 43.801 -8.57372 12.9141 -8.57379 -20.6087 32.766 12.914 32.766 17.1206 GPRESSAVG: 1198800 43.614 -6.70111 14.5481 -10.0836 -20.1047 29.6511 11.9441 35.1895 16.192 TIMING: 1198800 CPU: 3605.57, 0.00303609/step Wall: 3605.57, 0.00303609/step, 3.20578 hours remaining, 207.523438 MB of memory in use. ENERGY: 1198800 771.2064 2122.8636 1898.6559 120.5420 -205561.3671 17422.0455 0.0000 0.0000 34196.2081 -149029.8456 298.6440 -183226.0537 -148936.5923 299.7279 -132.7955 -96.9370 557791.4036 13.4376 13.2338 PRESSURE: 1199000 -15.8574 -35.1361 73.9026 -35.1348 -122.618 17.1233 73.9039 17.1226 72.5611 GPRESSURE: 1199000 -47.3766 87.0113 158.649 -120 -84.6003 -38.0257 -45.3592 79.9832 172.349 PRESSAVG: 1199000 -9.11542 4.36149 28.6896 4.36151 59.33 -20.9631 28.6896 -20.9631 -9.5309 GPRESSAVG: 1199000 -9.23139 3.68378 26.6175 6.00305 58.6412 -18.3997 29.8922 -22.4366 -8.73596 TIMING: 1199000 CPU: 3606.18, 0.00305316/step Wall: 3606.18, 0.00305316/step, 3.22362 hours remaining, 207.523438 MB of memory in use. ENERGY: 1199000 747.2002 2090.5337 1917.9840 124.3363 -206081.8053 17653.1023 0.0000 0.0000 34376.3653 -149172.2835 300.2173 -183548.6488 -149079.1949 299.5717 -21.9713 13.4575 558303.8228 13.5612 13.5580 PRESSURE: 1199200 10.1212 -78.2829 69.7046 -78.2832 133.079 69.7675 69.705 69.7672 28.3814 GPRESSURE: 1199200 92.6917 -107.945 105.665 6.07818 209.151 55.9839 43.3622 35.7842 -28.1541 PRESSAVG: 1199200 -21.7573 -6.39189 -30.3683 -6.39183 36.2166 -5.95858 -30.3682 -5.95853 -50.88 GPRESSAVG: 1199200 -21.9145 -5.03737 -28.7498 -8.69273 37.6642 -4.62022 -30.1808 -7.35045 -51.5036 TIMING: 1199200 CPU: 3606.79, 0.00303782/step Wall: 3606.79, 0.00303782/step, 3.20726 hours remaining, 207.523438 MB of memory in use. ENERGY: 1199200 742.3873 2080.2477 1951.2045 130.9444 -206234.7146 17804.4645 0.0000 0.0000 34241.9951 -149283.4712 299.0439 -183525.4662 -149177.6018 299.5909 57.1937 91.2296 557219.7923 -12.1403 -11.9179 PRESSURE: 1199400 -274.066 21.4389 -17.5037 21.4396 23.7701 52.1639 -17.5029 52.1638 -244.038 GPRESSURE: 1199400 -210.762 -30.0656 15.9582 12.0279 28.0859 27.1367 -43.2054 96.0676 -212.871 PRESSAVG: 1199400 -15.1163 -72.2183 -26.7987 -72.2183 4.72147 34.5959 -26.7988 34.5958 0.183627 GPRESSAVG: 1199400 -15.0351 -73.9631 -29.9866 -71.4178 4.88508 32.4108 -25.0337 35.1151 0.307653 TIMING: 1199400 CPU: 3607.41, 0.0030888/step Wall: 3607.41, 0.0030888/step, 3.26091 hours remaining, 207.523438 MB of memory in use. ENERGY: 1199400 739.4340 2148.8512 1938.8465 108.9819 -206191.4945 17667.0748 0.0000 0.0000 34396.6799 -149191.6262 300.3948 -183588.3061 -149090.0120 298.1676 -164.7781 -131.8489 557755.6127 -3.4037 -3.2808 PRESSURE: 1199600 120.336 -106.542 -38.305 -106.541 114.125 -38.0247 -38.3052 -38.0224 306.227 GPRESSURE: 1199600 135.772 -112.703 -0.789745 -116.794 175.915 -0.107683 13.8092 -172.86 321.775 PRESSAVG: 1199600 -36.9762 -49.9333 -17.3364 -49.9333 38.3177 3.92528 -17.3364 3.92532 -53.0846 GPRESSAVG: 1199600 -37.0279 -50.3364 -13.3791 -50.3646 38.1892 3.88722 -18.881 4.04353 -52.7198 TIMING: 1199600 CPU: 3608.03, 0.003106/step Wall: 3608.03, 0.003106/step, 3.2789 hours remaining, 207.523438 MB of memory in use. ENERGY: 1199600 685.1208 2061.4617 1950.0680 116.8505 -206299.2406 17982.9594 0.0000 0.0000 34224.7202 -149278.0598 298.8930 -183502.7800 -149174.9610 298.8532 180.2292 211.1539 557462.9412 -17.2477 -17.1862 PRESSURE: 1199800 286.524 75.1266 -19.6901 75.1269 -68.474 25.9697 -19.6895 25.9689 -188.267 GPRESSURE: 1199800 324.115 6.08753 -24.3509 78.6597 -89.5715 -32.1305 -41.032 24.7764 -114.07 PRESSAVG: 1199800 2.9298 -18.9689 5.75442 -18.9688 16.9445 46.1831 5.75437 46.1831 -63.8275 GPRESSAVG: 1199800 0.458474 -19.9024 2.5131 -17.562 17.2542 47.8235 7.4052 46.2889 -61.7675 TIMING: 1199800 CPU: 3608.65, 0.00309337/step Wall: 3608.65, 0.00309337/step, 3.26539 hours remaining, 207.523438 MB of memory in use. ENERGY: 1199800 746.9624 2121.9207 1918.1127 107.4137 -206452.6554 17946.6231 0.0000 0.0000 34365.4258 -149246.1970 300.1218 -183611.6228 -149152.0788 298.7650 9.9274 40.1579 557889.2243 -14.6511 -14.6849 PRESSURE: 1200000 -225.593 -148.193 -17.9552 -148.193 -62.3835 -223.295 -17.9542 -223.296 95.0167 GPRESSURE: 1200000 -114.858 -125.436 6.19063 -102.916 -78.8112 -263.733 -58.0387 -174.289 97.3423 PRESSAVG: 1200000 -24.9764 0.894431 3.17508 0.894495 -16.306 -9.33939 3.17505 -9.33931 43.3417 GPRESSAVG: 1200000 -22.0567 1.8094 3.19591 0.505006 -17.7293 -9.78198 0.745145 -7.65157 41.7769 TIMING: 1200000 CPU: 3609.26, 0.0030667/step Wall: 3609.26, 0.0030667/step, 3.23707 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: 1200000 764.1210 2040.1698 1907.3326 111.7187 -206045.9428 17592.1742 0.0000 0.0000 34283.2126 -149347.2139 299.4038 -183630.4265 -149254.4336 299.2270 -64.3199 -32.1090 557489.2727 0.6864 0.6636 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1200000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 1200000 WRITING COORDINATES TO RESTART FILE AT STEP 1200000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1200200 5.46735 -15.0156 -71.9973 -15.0165 -184.907 -36.7298 -71.9968 -36.7298 28.557 GPRESSURE: 1200200 43.294 4.37118 -80.4501 -29.4906 -128.15 23.715 -23.5509 -22.3136 27.4759 PRESSAVG: 1200200 13.2582 -15.7983 11.4264 -15.7984 0.277202 -19.0457 11.4265 -19.0458 4.71217 GPRESSAVG: 1200200 12.8112 -15.6302 14.4107 -15.7175 1.02732 -19.5319 12.6021 -19.5821 4.45503 TIMING: 1200200 CPU: 3609.89, 0.00311507/step Wall: 3609.89, 0.00311507/step, 3.28795 hours remaining, 207.523438 MB of memory in use. ENERGY: 1200200 748.5120 2092.5044 1921.9434 104.6573 -206177.1825 17719.3590 0.0000 0.0000 34280.2316 -149309.9747 299.3778 -183590.2063 -149212.0793 299.5242 -50.2941 -19.1268 557247.0710 6.0825 6.0978 LDB: ============= START OF LOAD BALANCING ============== 3613.41 LDB: ============== END OF LOAD BALANCING =============== 3613.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3613.41 LDB: ============= START OF LOAD BALANCING ============== 3613.71 LDB: Largest compute 4800 load 0.025966 is 22.0% of average load 0.117846 LDB: Average compute 0.001732 is 1.5% of average load 0.117846 LDB: TIME 3613.71 LOAD: AVG 0.117846 MAX 0.214064 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.738 MB LDB: TIME 3613.71 LOAD: AVG 0.117846 MAX 0.214064 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.809 MB LDB: TIME 3613.71 LOAD: AVG 0.117846 MAX 0.214064 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.809 MB LDB: ============== END OF LOAD BALANCING =============== 3613.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3613.72 PRESSURE: 1200400 -77.565 -46.2844 23.2411 -46.2854 -65.2068 60.049 23.2408 60.048 61.6868 GPRESSURE: 1200400 -48.479 -50.378 23.8434 -19.2134 -36.3979 -54.4881 -3.9988 14.7784 94.2114 PRESSAVG: 1200400 -9.13082 -10.5929 -56.2094 -10.5929 -85.302 12.4186 -56.2095 12.4186 74.9457 GPRESSAVG: 1200400 -9.30481 -10.2859 -58.7259 -9.96118 -86.0066 11.6926 -58.001 11.5129 75.9778 TIMING: 1200400 CPU: 3610.5, 0.00308455/step Wall: 3610.5, 0.00308455/step, 3.25557 hours remaining, 208.679688 MB of memory in use. ENERGY: 1200400 759.2357 2037.0116 1934.0842 116.7483 -206346.3928 17883.7471 0.0000 0.0000 34289.6271 -149325.9388 299.4598 -183615.5659 -149227.4022 299.2666 -27.0283 3.1115 556741.4343 -6.4957 -6.4445 PRESSURE: 1200600 96.1932 -82.4557 -62.1322 -82.4557 -94.1913 -78.8856 -62.1325 -78.887 -196.356 GPRESSURE: 1200600 90.07 -132.175 85.7648 -79.7463 -66.0022 -192.876 -148.847 -85.1369 -127.435 PRESSAVG: 1200600 57.9438 -28.1059 26.1912 -28.1059 -64.0171 3.86538 26.1912 3.8653 13.7225 GPRESSAVG: 1200600 59.709 -29.74 29.1307 -28.183 -63.7456 6.52441 26.4292 2.44341 12.2076 TIMING: 1200600 CPU: 3611.11, 0.00301393/step Wall: 3611.11, 0.00301393/step, 3.18087 hours remaining, 208.679688 MB of memory in use. ENERGY: 1200600 750.9537 2094.1831 1917.4992 112.9720 -205884.4951 17579.8850 0.0000 0.0000 34226.8360 -149202.1661 298.9115 -183429.0022 -149107.2626 299.2593 -64.7848 -34.4557 557553.3998 2.5497 2.7237 PRESSURE: 1200800 -2.83437 -33.0345 64.7575 -33.0338 -26.2618 -12.7397 64.758 -12.739 -36.5363 GPRESSURE: 1200800 6.33733 -5.41894 29.5884 -112.832 25.9362 3.20993 60.2958 -34.1488 6.8313 PRESSAVG: 1200800 68.9947 -44.9385 -10.8047 -44.9384 -103.836 20.2456 -10.8047 20.2455 0.169819 GPRESSAVG: 1200800 67.1808 -43.0211 -13.7789 -45.4402 -103.876 16.9433 -11.077 22.2399 1.5744 TIMING: 1200800 CPU: 3611.71, 0.00302947/step Wall: 3611.71, 0.00302947/step, 3.1971 hours remaining, 208.679688 MB of memory in use. ENERGY: 1200800 758.7339 2027.3022 1946.6715 102.5723 -205802.2914 17619.6490 0.0000 0.0000 34313.8297 -149033.5328 299.6712 -183347.3626 -148935.8327 300.0009 -21.8775 13.0349 558489.1084 -11.5571 -11.7071 PRESSURE: 1201000 -151.215 6.48773 109.823 6.48885 -1.09693 -72.5597 109.824 -72.5595 -404.901 GPRESSURE: 1201000 -176.3 -76.8814 110.74 -32.8254 33.3118 -80.8902 103.416 -148.51 -334.403 PRESSAVG: 1201000 -13.592 13.3067 -46.3584 13.3067 58.0606 3.90196 -46.3583 3.90207 -45.4202 GPRESSAVG: 1201000 -14.148 12.9792 -45.4992 13.3864 58.2794 5.71573 -47.1922 5.03034 -45.2457 TIMING: 1201000 CPU: 3612.31, 0.00300751/step Wall: 3612.31, 0.00300751/step, 3.17376 hours remaining, 208.679688 MB of memory in use. ENERGY: 1201000 778.3142 2080.6622 1947.0849 124.4239 -205749.5471 17692.0222 0.0000 0.0000 34113.4768 -149013.5630 297.9215 -183127.0397 -148917.0708 299.6436 -185.7377 -159.1305 558774.9751 -0.3172 -0.3715 PRESSURE: 1201200 -80.5603 -117.061 -148.21 -117.06 -137.722 129.589 -148.209 129.59 -123.579 GPRESSURE: 1201200 -75.8652 -109.45 -128.726 -158.166 -93.8567 134.116 -236.643 184.744 -78.9636 PRESSAVG: 1201200 31.7759 -64.2445 2.1053 -64.2444 -0.604186 -5.77755 2.10534 -5.77751 -105.972 GPRESSAVG: 1201200 32.7251 -64.2839 0.269287 -64.7352 -0.819109 -4.81396 5.02895 -7.84146 -106.321 TIMING: 1201200 CPU: 3612.92, 0.00304966/step Wall: 3612.92, 0.00304966/step, 3.21806 hours remaining, 208.679688 MB of memory in use. ENERGY: 1201200 761.7446 2076.1412 1949.2642 118.2154 -205845.5494 17648.1613 0.0000 0.0000 34454.0116 -148838.0111 300.8955 -183292.0227 -148745.2377 300.5116 -113.9538 -82.8952 558635.0526 -24.9335 -24.8051 PRESSURE: 1201400 -88.3505 -30.816 65.6324 -30.8161 -14.0063 -124.692 65.6323 -124.692 -6.72919 GPRESSURE: 1201400 -86.5922 -79.8735 55.2627 -51.0205 -12.5809 -172.716 69.5953 -96.8676 72.5362 PRESSAVG: 1201400 -33.8586 -59.1489 -18.8612 -59.1488 11.0364 7.69539 -18.8612 7.69538 30.1653 GPRESSAVG: 1201400 -33.7115 -58.8783 -17.2798 -60.1513 11.3126 8.35176 -19.6418 8.31612 29.8699 TIMING: 1201400 CPU: 3613.54, 0.00306776/step Wall: 3613.54, 0.00306776/step, 3.237 hours remaining, 208.679688 MB of memory in use. ENERGY: 1201400 729.5826 2070.3838 1926.7753 115.0859 -205981.3172 17581.6522 0.0000 0.0000 34716.5097 -148841.3279 303.1879 -183557.8375 -148747.1311 300.8929 -36.3620 -8.8790 556959.5296 2.4477 2.4903 PRESSURE: 1201600 109.867 6.76319 28.4516 6.76214 -117.581 74.8924 28.4506 74.8932 -74.9935 GPRESSURE: 1201600 93.2262 25.2482 -78.7675 49.6613 -93.9024 44.0716 85.592 115.415 16.6602 PRESSAVG: 1201600 -23.8038 -2.21745 -4.87683 -2.21744 11.5169 3.79833 -4.87682 3.79842 43.0311 GPRESSAVG: 1201600 -24.6592 -2.13076 -6.55478 -0.949839 12.0635 3.08016 -5.2566 3.94745 43.4986 TIMING: 1201600 CPU: 3614.15, 0.00306123/step Wall: 3614.15, 0.00306123/step, 3.22994 hours remaining, 208.679688 MB of memory in use. ENERGY: 1201600 735.9196 2085.1708 1932.3890 124.7908 -206016.1077 17686.0218 0.0000 0.0000 34464.8082 -148987.0076 300.9897 -183451.8158 -148888.1002 300.6131 -27.5692 5.3280 555605.4513 10.2481 10.3010 PRESSURE: 1201800 223.837 73.6622 65.7716 73.6622 -219.012 -185.77 65.7719 -185.77 56.4162 GPRESSURE: 1201800 223.061 13.986 46.8756 139.763 -139.103 -202.521 106.331 -178.136 79.9675 PRESSAVG: 1201800 -13.91 -15.7386 11.0156 -15.7386 -51.6025 -51.3678 11.0157 -51.3677 51.5547 GPRESSAVG: 1201800 -14.8886 -15.2851 13.6023 -18.025 -52.3197 -52.1316 10.8381 -51.2979 52.6209 TIMING: 1201800 CPU: 3614.76, 0.0030699/step Wall: 3614.76, 0.0030699/step, 3.23892 hours remaining, 208.679688 MB of memory in use. ENERGY: 1201800 742.7286 2067.3097 1939.4119 116.5295 -206010.4688 17639.4736 0.0000 0.0000 34452.6689 -149052.3465 300.8837 -183505.0154 -148960.3351 301.0627 20.4139 54.6420 555926.3956 -4.6526 -4.8624 PRESSURE: 1202000 -304.874 -123.495 -42.1596 -123.495 6.18569 -85.3186 -42.1609 -85.3189 -63.1114 GPRESSURE: 1202000 -263.141 -67.3485 51.832 -183.594 31.5466 -75.5882 -66.3359 -151.142 -30.0561 PRESSAVG: 1202000 10.1835 -16.1152 9.53714 -16.1152 -5.36199 17.6351 9.53709 17.6352 -23.4373 GPRESSAVG: 1202000 11.7559 -16.1257 9.22999 -15.1364 -5.78733 18.1117 10.2927 18.1144 -24.0117 TIMING: 1202000 CPU: 3615.37, 0.00303243/step Wall: 3615.37, 0.00303243/step, 3.19921 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: 1202000 764.6757 2105.6382 1914.7889 104.7229 -205912.4592 17537.5436 0.0000 0.0000 34342.6246 -149142.4654 299.9227 -183485.0900 -149046.2500 299.2764 -120.5998 -87.2168 557308.4360 -6.2053 -6.0144 PRESSURE: 1202200 -178.031 -16.5735 -9.61344 -16.5738 49.856 196.624 -9.61423 196.624 -185.592 GPRESSURE: 1202200 -173.23 73.9094 -102.38 -28.4084 125.229 150.786 7.15016 227.726 -163.931 PRESSAVG: 1202200 -78.3823 -6.45476 -21.6906 -6.4547 4.06279 -24.5347 -21.6907 -24.5347 59.288 GPRESSAVG: 1202200 -78.1078 -7.00766 -22.5799 -7.24098 4.38932 -24.8674 -22.5666 -23.5957 59.121 TIMING: 1202200 CPU: 3615.97, 0.0030043/step Wall: 3615.97, 0.0030043/step, 3.16937 hours remaining, 208.679688 MB of memory in use. ENERGY: 1202200 760.5822 2122.5100 1939.5211 115.6529 -206422.2598 17842.0975 0.0000 0.0000 34465.2583 -149176.6376 300.9937 -183641.8959 -149073.0996 299.5767 -104.5890 -70.6442 557900.2213 -5.0105 -4.8658 PRESSURE: 1202400 121.855 121.694 110.693 121.692 3.6964 86.8043 110.693 86.8038 121.576 GPRESSURE: 1202400 216.974 68.893 61.0951 137.306 -18.4234 126.482 101.861 -55.1595 137.931 PRESSAVG: 1202400 7.93183 2.71052 -9.70799 2.71065 29.2374 31.6313 -9.70801 31.6314 13.6674 GPRESSAVG: 1202400 6.96211 2.07507 -9.20315 3.4228 29.3924 33.8971 -7.97136 29.698 14.1904 TIMING: 1202400 CPU: 3616.57, 0.00302247/step Wall: 3616.57, 0.00302247/step, 3.18837 hours remaining, 208.679688 MB of memory in use. ENERGY: 1202400 719.1739 2116.9042 1932.8553 107.2015 -206322.4144 17893.7691 0.0000 0.0000 34180.1698 -149372.3407 298.5039 -183552.5105 -149279.2579 299.5406 82.3757 112.1606 557365.0945 16.9455 16.8483 PRESSURE: 1202600 123.417 11.2975 -47.5038 11.2978 133.696 6.0025 -47.5047 6.00216 279.517 GPRESSURE: 1202600 197.73 0.0642659 -42.4067 123.774 149.824 -13.0066 -83.5361 -46.739 291.442 PRESSAVG: 1202600 -19.7708 -2.57166 21.2403 -2.57175 34.0432 63.1318 21.2403 63.1317 -24.0634 GPRESSAVG: 1202600 -19.0531 -1.09095 22.7749 -3.43524 33.5599 62.8677 19.0275 65.2679 -24.7318 TIMING: 1202600 CPU: 3617.18, 0.00302956/step Wall: 3617.18, 0.00302956/step, 3.19568 hours remaining, 208.679688 MB of memory in use. ENERGY: 1202600 727.5605 2060.7367 1918.6955 121.2467 -206434.4500 17966.3326 0.0000 0.0000 34212.4130 -149427.4651 298.7855 -183639.8781 -149331.9032 298.7489 178.8767 212.9986 555462.8202 -3.2637 -3.4083 PRESSURE: 1202800 -62.1576 -45.4426 72.3985 -45.4416 -272.076 -59.9388 72.3997 -59.9391 95.929 GPRESSURE: 1202800 -37.8546 -20.5093 131.432 -10.8929 -222.743 -31.4372 -1.18176 -116.284 113.535 PRESSAVG: 1202800 38.1711 -3.68485 -7.91768 -3.68498 -7.59007 16.5906 -7.91764 16.5907 8.12107 GPRESSAVG: 1202800 37.1704 -6.08589 -10.7397 -1.84758 -6.8251 13.8982 -5.75972 14.993 8.65638 TIMING: 1202800 CPU: 3617.79, 0.00303854/step Wall: 3617.79, 0.00303854/step, 3.20499 hours remaining, 208.679688 MB of memory in use. ENERGY: 1202800 754.4388 2129.6597 1937.5798 111.8398 -206266.7906 17718.0100 0.0000 0.0000 34242.3406 -149372.9218 299.0469 -183615.2624 -149280.1279 298.6441 -79.4349 -49.0208 557060.7443 12.9007 13.0006 PRESSURE: 1203000 -213.289 -207.514 -73.6347 -207.514 -0.185786 -68.6002 -73.6356 -68.5992 43.5872 GPRESSURE: 1203000 -101.856 -50.894 -18.1793 -237.173 55.1743 -112.207 -33.9883 -29.8226 -5.21271 PRESSAVG: 1203000 -49.3757 -46.6414 -66.1403 -46.6414 24.6957 -11.6736 -66.1404 -11.6736 50.3255 GPRESSAVG: 1203000 -48.2983 -44.5966 -64.846 -47.6262 24.9346 -10.4167 -66.1923 -9.43306 49.5391 TIMING: 1203000 CPU: 3618.4, 0.0030356/step Wall: 3618.4, 0.0030356/step, 3.20172 hours remaining, 208.679688 MB of memory in use. ENERGY: 1203000 743.8158 2033.1779 1928.3208 111.3889 -206083.5761 17758.2700 0.0000 0.0000 34229.1296 -149279.4731 298.9315 -183508.6026 -149177.1134 299.0193 -56.6292 -17.2981 556568.2855 8.5485 8.7251 PRESSURE: 1203200 55.7256 53.5627 -103.692 53.5618 -175.558 -41.2258 -103.692 -41.2252 -108.647 GPRESSURE: 1203200 47.3732 102.63 -89.3318 -52.5492 -100.492 -113.438 -148.454 0.434837 -61.2246 PRESSAVG: 1203200 34.8431 -46.1355 52.1503 -46.1355 -24.7554 50.4309 52.1503 50.431 27.3991 GPRESSAVG: 1203200 33.8828 -47.7295 51.0665 -46.0797 -24.0035 50.8093 52.0095 46.6826 28.1697 TIMING: 1203200 CPU: 3619, 0.00303551/step Wall: 3619, 0.00303551/step, 3.20145 hours remaining, 208.679688 MB of memory in use. ENERGY: 1203200 792.2014 2099.8439 1943.6250 117.2252 -205910.6542 17808.2142 0.0000 0.0000 34039.3586 -149110.1858 297.2742 -183149.5445 -149012.1565 299.5062 -76.1597 -38.1144 557963.2519 12.4956 12.6830 PRESSURE: 1203400 -80.4694 -73.2993 -51.7159 -73.2993 154.168 -188.498 -51.7161 -188.497 -163.713 GPRESSURE: 1203400 -42.8807 -2.89104 -49.8141 -39.6952 190.124 -157.364 -153.508 -195.994 -146.599 PRESSAVG: 1203400 -30.8744 -6.1532 -25.7255 -6.15323 -25.518 -6.45212 -25.7256 -6.45215 1.24204 GPRESSAVG: 1203400 -29.8196 -3.92908 -26.0428 -6.58739 -26.0464 -8.90473 -25.9431 -5.60324 0.710402 TIMING: 1203400 CPU: 3619.61, 0.00303387/step Wall: 3619.61, 0.00303387/step, 3.19956 hours remaining, 208.679688 MB of memory in use. ENERGY: 1203400 757.4344 2105.2533 1914.4011 113.7486 -206246.3961 17863.3764 0.0000 0.0000 34497.4107 -148994.7716 301.2745 -183492.1823 -148898.0977 300.0653 -30.0048 0.2150 557435.1260 -18.3834 -18.3852 PRESSURE: 1203600 25.0555 -53.3408 5.89624 -53.3407 -39.8393 -52.3961 5.89515 -52.3957 154.25 GPRESSURE: 1203600 65.4595 36.9821 31.0445 -58.9773 21.7864 -15.3639 47.4774 -90.3928 140.079 PRESSAVG: 1203600 28.7054 5.99931 -19.6776 5.99928 16.7822 37.664 -19.6775 37.6639 -59.7884 GPRESSAVG: 1203600 27.5022 6.63624 -19.1283 6.15633 17.3777 39.4555 -20.3746 37.7286 -59.2397 TIMING: 1203600 CPU: 3620.21, 0.00301946/step Wall: 3620.21, 0.00301946/step, 3.18419 hours remaining, 208.679688 MB of memory in use. ENERGY: 1203600 757.6375 2184.1188 1942.8729 111.0360 -206161.6481 17903.0757 0.0000 0.0000 34444.9861 -148817.9211 300.8166 -183262.9072 -148717.4083 300.4400 46.4887 75.7751 559332.5267 -4.7669 -4.7866 PRESSURE: 1203800 395.7 14.0906 11.67 14.0909 305.326 105.483 11.6703 105.483 130.085 GPRESSURE: 1203800 446.507 -48.709 23.812 23.6958 333.432 94.6088 59.4645 67.1315 149.22 PRESSAVG: 1203800 42.3731 -1.54762 49.7078 -1.54766 -12.5717 15.1445 49.7078 15.1446 -6.28982 GPRESSAVG: 1203800 43.1742 -5.15549 49.5236 1.22797 -13.7965 14.5755 51.1327 16.1899 -6.25931 TIMING: 1203800 CPU: 3620.82, 0.00303959/step Wall: 3620.82, 0.00303959/step, 3.20524 hours remaining, 208.679688 MB of memory in use. ENERGY: 1203800 741.3794 2096.3974 1967.6385 116.5207 -206250.0024 18217.1042 0.0000 0.0000 34269.1021 -148841.8600 299.2806 -183110.9622 -148747.0529 300.2613 277.0370 309.7196 558283.9222 7.8372 7.7061 PRESSURE: 1204000 74.1545 -1.54662 49.7114 -1.54763 -50.1142 -14.0353 49.7101 -14.0376 33.6184 GPRESSURE: 1204000 55.0467 -21.1088 58.2239 -19.4943 3.58684 -86.6708 31.666 89.0522 86.4117 PRESSAVG: 1204000 -34.413 -25.3089 37.274 -25.3089 -32.3136 4.29026 37.274 4.29023 31.0423 GPRESSAVG: 1204000 -32.215 -25.2806 37.2193 -27.7426 -33.5435 4.68497 36.6641 4.04833 30.1715 TIMING: 1204000 CPU: 3621.43, 0.00303635/step Wall: 3621.43, 0.00303635/step, 3.20167 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: 1204000 719.6367 2113.3158 1970.7655 114.2511 -205968.5049 17803.9421 0.0000 0.0000 34348.2924 -148898.3013 299.9722 -183246.5937 -148808.3743 300.0661 19.2195 48.3484 558192.5519 -11.8948 -11.8623 PRESSURE: 1204200 -61.8953 -67.3141 -70.7995 -67.3132 44.8847 127.504 -70.8002 127.504 19.8497 GPRESSURE: 1204200 -12.3622 -51.7197 1.04267 -130.696 21.9603 137.023 -50.9251 12.7204 83.5914 PRESSAVG: 1204200 -51.6981 23.4458 24.493 23.4459 78.9105 33.4749 24.4929 33.4749 0.373182 GPRESSAVG: 1204200 -53.273 24.9963 25.3539 23.3704 79.7861 32.0022 24.8977 33.2351 1.5324 TIMING: 1204200 CPU: 3622.03, 0.00301921/step Wall: 3622.03, 0.00301921/step, 3.18342 hours remaining, 208.679688 MB of memory in use. ENERGY: 1204200 760.4023 2123.5857 1963.4203 114.6227 -206048.6332 17854.4818 0.0000 0.0000 34328.6241 -148903.4962 299.8004 -183232.1203 -148803.4471 300.1781 0.9463 31.0632 557507.9285 9.1952 9.3485 LDB: ============= START OF LOAD BALANCING ============== 3625.55 LDB: ============== END OF LOAD BALANCING =============== 3625.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3625.55 LDB: ============= START OF LOAD BALANCING ============== 3625.85 LDB: Largest compute 4800 load 0.024673 is 20.9% of average load 0.117904 LDB: Average compute 0.001740 is 1.5% of average load 0.117904 LDB: TIME 3625.85 LOAD: AVG 0.117904 MAX 0.210875 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.48 MB LDB: TIME 3625.85 LOAD: AVG 0.117904 MAX 0.210875 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.48 MB LDB: TIME 3625.85 LOAD: AVG 0.117904 MAX 0.210875 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.48 MB LDB: ============== END OF LOAD BALANCING =============== 3625.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3625.86 PRESSURE: 1204400 -65.3848 -18.8446 187.508 -18.845 -245.591 -40.2312 187.507 -40.2319 -184.743 GPRESSURE: 1204400 -88.9736 108.462 197.042 -50.9909 -177.534 -1.88061 154.861 -52.4998 -136.727 PRESSAVG: 1204400 38.4163 -1.05592 21.1536 -1.05594 4.04828 -11.1107 21.1537 -11.1106 -17.5995 GPRESSAVG: 1204400 37.8165 0.802572 20.6166 0.326254 5.35278 -9.49534 20.4451 -13.4603 -17.6544 TIMING: 1204400 CPU: 3622.64, 0.00304791/step Wall: 3622.64, 0.0030479/step, 3.21351 hours remaining, 208.539062 MB of memory in use. ENERGY: 1204400 727.5867 2125.5035 1931.6789 117.9008 -205731.3176 17557.3769 0.0000 0.0000 34559.9558 -148711.3150 301.8207 -183271.2708 -148614.9236 300.9737 -165.2397 -134.4116 558654.9567 8.2883 8.5050 PRESSURE: 1204600 -169.532 194.901 103.19 194.901 -284.005 65.4767 103.189 65.477 -177.439 GPRESSURE: 1204600 -131.661 175.327 152.698 145.889 -264.833 109.876 43.0205 17.3032 -137.015 PRESSAVG: 1204600 1.96548 1.94436 27.343 1.94438 -4.41339 -0.932984 27.343 -0.933014 9.30884 GPRESSAVG: 1204600 2.65926 0.481839 28.4034 1.73854 -3.99811 -1.55572 24.4878 0.547684 8.21054 TIMING: 1204600 CPU: 3623.25, 0.00301829/step Wall: 3623.25, 0.00301829/step, 3.18212 hours remaining, 208.742188 MB of memory in use. ENERGY: 1204600 728.2004 2142.7812 1951.9834 112.7177 -205558.8140 17519.0242 0.0000 0.0000 34336.7511 -148767.3561 299.8714 -183104.1072 -148670.4177 300.5087 -210.3251 -177.8362 558392.9202 2.2870 2.2906 PRESSURE: 1204800 -90.6583 30.1111 -272.263 30.1097 -64.0143 -18.6777 -272.264 -18.6778 6.75724 GPRESSURE: 1204800 -82.4116 25.0963 -326.766 63.1951 -5.85979 -39.8444 -193.257 32.9115 45.2763 PRESSAVG: 1204800 -27.4152 -29.8214 -29.1909 -29.8215 28.1893 -9.69569 -29.1909 -9.69573 -35.7116 GPRESSAVG: 1204800 -27.4936 -29.1837 -29.5429 -28.7319 28.168 -9.66069 -25.46 -8.07029 -36.5693 TIMING: 1204800 CPU: 3623.85, 0.0029973/step Wall: 3623.85, 0.0029973/step, 3.15982 hours remaining, 208.742188 MB of memory in use. ENERGY: 1204800 751.4534 2078.7099 1911.0565 114.5237 -205800.7466 17845.9258 0.0000 0.0000 34255.1183 -148843.9590 299.1585 -183099.0773 -148738.6797 299.8034 -49.3051 -14.3317 560204.9010 -11.6459 -11.9650 PRESSURE: 1205000 -142.675 -35.1819 -26.5672 -35.1815 12.6836 85.2507 -26.5666 85.2528 -134.9 GPRESSURE: 1205000 -106.415 -16.4948 -11.3812 34.8423 63.5692 190.92 -75.5616 41.5108 -122.29 PRESSAVG: 1205000 -39.6998 17.6592 -72.7841 17.6592 8.09536 1.39222 -72.784 1.39227 -1.29587 GPRESSAVG: 1205000 -38.9733 18.4735 -74.6951 15.4165 7.55679 0.590606 -74.0406 2.27582 -0.95694 TIMING: 1205000 CPU: 3624.45, 0.00300512/step Wall: 3624.45, 0.00300512/step, 3.1679 hours remaining, 208.742188 MB of memory in use. ENERGY: 1205000 749.1826 2073.6702 1917.4228 127.7674 -205833.9986 17752.9390 0.0000 0.0000 34258.4038 -148954.6129 299.1872 -183213.0167 -148855.7825 299.7257 -88.2971 -55.0452 559434.3623 -10.9668 -10.7912 PRESSURE: 1205200 -82.6924 80.0805 8.4626 80.0789 -100.697 21.2916 8.46328 21.2923 -191.999 GPRESSURE: 1205200 -81.0628 49.4353 67.4772 133.476 -0.367625 74.6194 -95.9688 -71.8477 -204.598 PRESSAVG: 1205200 -1.92558 10.9291 19.6921 10.9291 2.73919 32.3375 19.6921 32.3375 -26.4293 GPRESSAVG: 1205200 -2.86013 11.1634 20.2953 10.3794 2.9753 33.0402 20.7134 31.1189 -26.0416 TIMING: 1205200 CPU: 3625.05, 0.0030105/step Wall: 3625.05, 0.0030105/step, 3.17341 hours remaining, 208.742188 MB of memory in use. ENERGY: 1205200 745.8595 2119.4433 1920.1077 103.3987 -205519.5393 17481.0222 0.0000 0.0000 34217.1194 -148932.5885 298.8266 -183149.7080 -148840.0889 300.0174 -125.1295 -95.3429 558830.7548 -8.5386 -8.6421 PRESSURE: 1205400 -67.0967 28.2389 127.827 28.2373 21.4329 -184.822 127.828 -184.821 -153.809 GPRESSURE: 1205400 -21.8476 76.7451 113.55 99.7764 12.1768 -181.242 102.418 -185.777 -87.1453 PRESSAVG: 1205400 3.26701 7.60257 7.59076 7.6026 0.423717 -26.1456 7.59083 -26.1456 4.42383 GPRESSAVG: 1205400 3.72011 7.42839 7.6139 8.00464 -0.49005 -26.1991 7.21736 -27.6124 4.7289 TIMING: 1205400 CPU: 3625.66, 0.00304175/step Wall: 3625.66, 0.00304175/step, 3.20618 hours remaining, 208.742188 MB of memory in use. ENERGY: 1205400 717.7063 2068.3283 1906.6368 110.2205 -205695.4588 17611.1883 0.0000 0.0000 34237.4109 -149043.9677 299.0038 -183281.3786 -148949.9670 300.4176 -66.4910 -32.2720 557877.3792 2.7049 2.6530 PRESSURE: 1205600 -184.887 -29.2576 -71.264 -29.2573 -236.304 48.4077 -71.2627 48.4067 -60.9853 GPRESSURE: 1205600 -103.246 -161.355 -67.259 28.4555 -175.253 -53.9963 -75.9407 90.7336 -109.508 PRESSAVG: 1205600 -5.27761 34.6606 -22.4944 34.6606 -6.25832 -34.1341 -22.4945 -34.1342 -20.544 GPRESSAVG: 1205600 -4.75405 34.0166 -21.2178 35.6993 -6.9552 -34.0762 -21.915 -34.3049 -20.2174 TIMING: 1205600 CPU: 3626.27, 0.00308387/step Wall: 3626.27, 0.00308387/step, 3.2504 hours remaining, 208.742188 MB of memory in use. ENERGY: 1205600 703.5612 2093.4398 1923.9720 115.9621 -205585.1486 17390.2070 0.0000 0.0000 34370.0891 -148987.9175 300.1625 -183358.0065 -148895.8851 299.5025 -160.7256 -129.3360 558569.7209 -10.6933 -10.6422 PRESSURE: 1205800 -12.2048 35.0754 -94.0382 35.0765 -130.253 16.7754 -94.0377 16.7739 72.2851 GPRESSURE: 1205800 3.16589 26.3162 -122.049 44.8219 -93.2655 25.9651 -54.3002 -85.6018 117.44 PRESSAVG: 1205800 46.0916 20.106 -28.2719 20.106 -93.0967 15.5271 -28.2718 15.5271 65.9603 GPRESSAVG: 1205800 45.1265 18.8801 -29.6052 21.5264 -92.8995 14.8696 -27.4792 16.5091 66.654 TIMING: 1205800 CPU: 3626.88, 0.00304839/step Wall: 3626.88, 0.00304839/step, 3.21283 hours remaining, 208.742188 MB of memory in use. ENERGY: 1205800 695.1116 2126.2862 1908.9948 111.0513 -205710.5336 17752.8093 0.0000 0.0000 34176.7553 -148939.5252 298.4741 -183116.2804 -148842.5819 299.3328 -23.3910 9.1136 557962.5590 6.3184 6.2937 PRESSURE: 1206000 -119.855 -151.119 -98.667 -151.117 -159.16 -61.0399 -98.668 -61.0386 -85.2781 GPRESSURE: 1206000 -120.312 -53.8219 -73.9491 -162.594 -140.539 51.0704 -190.003 -122.346 -8.30682 PRESSAVG: 1206000 -38.7561 5.54329 -27.4972 5.54323 0.441692 -42.9306 -27.4972 -42.9307 93.8484 GPRESSAVG: 1206000 -37.1885 7.69614 -25.0642 4.04256 0.417547 -43.194 -29.3388 -43.3558 92.5519 TIMING: 1206000 CPU: 3627.5, 0.00306126/step Wall: 3627.5, 0.00306126/step, 3.22622 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: 1206000 724.3919 2094.3147 1926.2934 108.2579 -205620.4953 17545.3656 0.0000 0.0000 34352.3985 -148869.4733 300.0080 -183221.8718 -148765.6491 299.8397 -121.4310 -89.7194 558204.7857 18.5113 18.5936 PRESSURE: 1206200 112.493 42.816 93.425 42.8163 178.423 -202.803 93.4247 -202.803 -184.078 GPRESSURE: 1206200 122.838 36.7477 71.9337 -18.3966 160.682 -170.541 85.7889 -233.563 -92.8188 PRESSAVG: 1206200 -53.3132 5.04336 38.8421 5.04334 46.244 -9.57082 38.8422 -9.57084 21.1933 GPRESSAVG: 1206200 -53.8947 3.25487 38.2555 5.2584 46.5983 -8.12761 39.5533 -9.69478 21.3941 TIMING: 1206200 CPU: 3628.11, 0.00305012/step Wall: 3628.11, 0.00305012/step, 3.21432 hours remaining, 208.742188 MB of memory in use. ENERGY: 1206200 769.9272 2110.3128 1946.9203 115.3144 -206113.7396 17850.0607 0.0000 0.0000 34412.0257 -148909.1786 300.5288 -183321.2043 -148811.2477 300.3070 35.6127 63.5668 557199.3187 4.7081 4.6992 PRESSURE: 1206400 -84.9535 34.4801 -58.1685 34.4821 66.8643 123.617 -58.1681 123.618 -77.4308 GPRESSURE: 1206400 -63.8481 44.6005 -64.3068 38.6269 84.0964 27.9613 -29.8471 123.07 -23.6337 PRESSAVG: 1206400 -87.4132 6.89923 -33.2883 6.8993 -5.36164 -29.1646 -33.2882 -29.1647 48.6322 GPRESSAVG: 1206400 -86.9523 9.95666 -31.9344 4.46624 -4.54491 -31.6638 -33.9494 -30.3281 47.7384 TIMING: 1206400 CPU: 3628.71, 0.0030479/step Wall: 3628.71, 0.0030479/step, 3.21181 hours remaining, 208.742188 MB of memory in use. ENERGY: 1206400 758.1008 2055.4360 1957.9743 102.0016 -205866.0594 17695.7795 0.0000 0.0000 34298.5795 -148998.1876 299.5380 -183296.7671 -148910.2880 299.9518 -31.8400 -1.1285 558118.5969 -14.7142 -14.5863 PRESSURE: 1206600 -71.0966 114.253 107.384 114.254 -45.8422 84.7627 107.383 84.762 -59.0848 GPRESSURE: 1206600 -38.9439 34.3128 162.81 121.959 -59.9023 121.129 49.9708 131.273 11.2466 PRESSAVG: 1206600 -87.169 -36.885 49.7056 -36.885 85.2926 7.44467 49.7056 7.44471 -22.7814 GPRESSAVG: 1206600 -86.3612 -36.8128 49.9033 -36.7238 84.2882 6.98699 50.9499 9.21093 -22.6169 TIMING: 1206600 CPU: 3629.32, 0.00302022/step Wall: 3629.32, 0.00302022/step, 3.18247 hours remaining, 208.742188 MB of memory in use. ENERGY: 1206600 746.4985 2139.0098 1917.1781 110.0453 -205743.4864 17600.8895 0.0000 0.0000 34272.7950 -148957.0702 299.3128 -183229.8652 -148860.9147 299.8092 -58.6745 -29.1999 558073.5724 -8.2192 -8.2300 PRESSURE: 1206800 -22.4519 75.5496 -51.8865 75.5495 -99.702 171.083 -51.8876 171.084 20.5113 GPRESSURE: 1206800 32.9504 95.9041 -108.01 16.0296 -97.5082 85.4883 5.77137 217.888 59.8086 PRESSAVG: 1206800 4.29548 28.2408 38.3447 28.2407 1.30569 52.009 38.3446 52.009 -25.5938 GPRESSAVG: 1206800 2.3013 27.1585 35.5716 29.5129 2.90687 52.7285 38.9589 51.4392 -24.6873 TIMING: 1206800 CPU: 3629.92, 0.00300039/step Wall: 3629.92, 0.00300039/step, 3.16141 hours remaining, 208.742188 MB of memory in use. ENERGY: 1206800 726.8313 2117.2419 1950.1641 110.1596 -206108.5581 17766.3594 0.0000 0.0000 34272.9502 -149164.8517 299.3142 -183437.8018 -149072.3343 299.1659 -33.8808 -1.5830 558169.2702 -6.6642 -6.4930 PRESSURE: 1207000 -182.215 245.108 -50.0172 245.109 -88.9799 1.49588 -50.0185 1.49572 -19.2602 GPRESSURE: 1207000 -195.154 147.688 1.46341 285.775 -112.138 106.121 -28.4542 -62.7684 105.32 PRESSAVG: 1207000 -34.9569 52.4545 4.63257 52.4545 -20.1904 25.3005 4.63258 25.3006 49.837 GPRESSAVG: 1207000 -34.2828 52.1673 4.0238 51.6117 -20.4341 24.8844 1.78257 24.8378 49.5365 TIMING: 1207000 CPU: 3630.52, 0.00302226/step Wall: 3630.52, 0.00302226/step, 3.18428 hours remaining, 208.742188 MB of memory in use. ENERGY: 1207000 770.1829 2107.0325 1959.1973 108.5284 -206273.7796 17734.2722 0.0000 0.0000 34425.6293 -149168.9370 300.6476 -183594.5663 -149068.9579 299.8137 -96.8183 -67.3242 558554.0515 -1.7701 -1.7268 PRESSURE: 1207200 -88.2194 212.056 102.831 212.055 -206.194 -19.0879 102.832 -19.0869 -83.9916 GPRESSURE: 1207200 -69.9892 184.319 89.6039 193.266 -205.764 -4.76224 122.324 7.69065 6.81951 PRESSAVG: 1207200 -29.6681 18.9667 8.63788 18.9667 55.2341 -12.4003 8.63794 -12.4004 -1.97002 GPRESSAVG: 1207200 -30.8336 20.5962 9.94575 17.7454 54.7328 -11.7041 9.26535 -11.4423 -0.767036 TIMING: 1207200 CPU: 3631.12, 0.00300572/step Wall: 3631.12, 0.00300572/step, 3.16669 hours remaining, 208.742188 MB of memory in use. ENERGY: 1207200 735.4131 2091.3633 1942.8303 109.4328 -205982.0055 17710.3661 0.0000 0.0000 34192.8821 -149199.7178 298.6149 -183392.5999 -149104.2424 299.2399 -126.1351 -89.6444 557606.8856 7.8653 7.7107 PRESSURE: 1207400 -12.9841 120.406 -6.24147 120.407 47.2851 -51.193 -6.24246 -51.1922 -386.962 GPRESSURE: 1207400 -8.09229 77.1019 -102.265 69.5891 90.4194 -14.2393 -65.8139 12.822 -346.404 PRESSAVG: 1207400 -9.86455 -8.3892 -41.7468 -8.38916 7.80604 -0.0402638 -41.7467 -0.0402111 -11.1475 GPRESSAVG: 1207400 -9.06513 -9.56887 -43.2885 -5.93552 8.60624 -0.290874 -39.6905 0.450099 -12.5034 TIMING: 1207400 CPU: 3631.73, 0.00304715/step Wall: 3631.73, 0.00304715/step, 3.21017 hours remaining, 208.742188 MB of memory in use. ENERGY: 1207400 750.1372 2100.8354 1929.2263 94.1014 -205967.9147 17579.2864 0.0000 0.0000 34313.2739 -149201.0542 299.6664 -183514.3280 -149099.3866 299.7915 -117.5538 -88.0255 557658.4081 -4.4020 -4.3208 PRESSURE: 1207600 -187.232 35.779 33.6394 35.7799 41.2242 40.1937 33.6392 40.1932 243.173 GPRESSURE: 1207600 -140.861 4.76572 20.241 32.858 76.8844 26.2997 42.2331 108.972 267.824 PRESSAVG: 1207600 24.9625 46.2245 15.1057 46.2246 21.2928 -5.60137 15.1058 -5.60137 -50.354 GPRESSAVG: 1207600 23.9679 46.287 17.6297 46.0293 20.8789 -4.74381 14.0015 -6.11175 -48.5892 TIMING: 1207600 CPU: 3632.34, 0.0030104/step Wall: 3632.34, 0.0030104/step, 3.17128 hours remaining, 208.742188 MB of memory in use. ENERGY: 1207600 720.7997 2080.7971 1952.0703 106.1539 -206217.4090 17851.4790 0.0000 0.0000 34316.4446 -149189.6644 299.6940 -183506.1090 -149089.1267 300.0444 32.3887 67.9493 556695.6714 -1.3663 -1.2474 PRESSURE: 1207800 -34.4718 -166.715 -121.67 -166.715 -12.8612 78.9469 -121.67 78.9475 -47.4769 GPRESSURE: 1207800 6.13859 -165.357 -175.638 -145.667 1.62936 126.607 -83.2893 68.3787 -17.9949 PRESSAVG: 1207800 53.773 -46.4831 34.6376 -46.4832 -67.301 53.9535 34.6376 53.9535 30.3431 GPRESSAVG: 1207800 55.068 -47.6218 33.5701 -46.8964 -67.5623 55.7544 34.7971 52.3479 29.2588 TIMING: 1207800 CPU: 3632.94, 0.00304186/step Wall: 3632.94, 0.00304186/step, 3.20427 hours remaining, 208.742188 MB of memory in use. ENERGY: 1207800 760.6562 2125.1481 1950.8383 111.9898 -205800.9252 17692.4148 0.0000 0.0000 34176.2182 -148983.6598 298.4694 -183159.8779 -148884.4203 299.2272 -31.6033 -3.4090 557440.6282 5.6050 5.5882 PRESSURE: 1208000 -259.445 -45.4293 111.405 -45.4281 -224.17 99.6632 111.405 99.6629 83.2935 GPRESSURE: 1208000 -197.07 -97.8559 228.971 -40.8726 -163.817 233.45 81.1232 34.4948 71.1964 PRESSAVG: 1208000 4.22562 -31.7808 45.7357 -31.7807 -3.92065 -45.3787 45.7356 -45.3787 4.19018 GPRESSAVG: 1208000 2.57708 -32.2541 47.522 -32.0421 -4.24906 -48.0894 44.7517 -42.9403 6.10412 TIMING: 1208000 CPU: 3633.56, 0.00306097/step Wall: 3633.56, 0.00306097/step, 3.22422 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: 1208000 748.7996 2033.4754 1959.5535 100.8598 -205678.8976 17498.7441 0.0000 0.0000 34242.4043 -149095.0610 299.0474 -183337.4653 -149002.8535 299.4639 -133.4403 -96.5637 556480.4889 1.4984 1.4774 PRESSURE: 1208200 -219.26 106.513 -55.2722 106.513 -237.927 -75.5149 -55.272 -75.5137 -339.344 GPRESSURE: 1208200 -219.73 72.1388 6.47625 127.047 -116.587 -98.0537 -119.474 -37.1487 -346.039 PRESSAVG: 1208200 -41.9102 -49.2685 24.7747 -49.2685 46.2062 -39.2608 24.7747 -39.2608 -25.8732 GPRESSAVG: 1208200 -40.1189 -49.4811 22.935 -48.2041 47.4711 -40.4761 25.6546 -39.7113 -29.0027 TIMING: 1208200 CPU: 3634.16, 0.00302638/step Wall: 3634.16, 0.00302638/step, 3.18762 hours remaining, 208.742188 MB of memory in use. ENERGY: 1208200 778.0222 2047.6433 1933.4126 107.1053 -205720.4109 17404.3982 0.0000 0.0000 34399.0062 -149050.8232 300.4151 -183449.8294 -148950.9587 299.7612 -265.5103 -227.4519 556235.8998 -7.1924 -7.2168 LDB: ============= START OF LOAD BALANCING ============== 3637.68 LDB: ============== END OF LOAD BALANCING =============== 3637.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3637.68 LDB: ============= START OF LOAD BALANCING ============== 3637.99 LDB: Largest compute 4800 load 0.025543 is 21.7% of average load 0.117830 LDB: Average compute 0.001742 is 1.5% of average load 0.117830 LDB: TIME 3637.99 LOAD: AVG 0.11783 MAX 0.211767 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.238 MB LDB: TIME 3637.99 LOAD: AVG 0.11783 MAX 0.211767 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.27 MB LDB: TIME 3637.99 LOAD: AVG 0.11783 MAX 0.211767 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.27 MB LDB: ============== END OF LOAD BALANCING =============== 3637.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3638 PRESSURE: 1208400 -7.26294 -53.373 79.7303 -53.3738 -82.2861 -180.427 79.7313 -180.428 -178.881 GPRESSURE: 1208400 20.3084 -117.869 161.123 -33.6718 -65.832 -133.294 84.4427 -231.433 -136.656 PRESSAVG: 1208400 52.2392 2.67386 43.18 2.67393 50.9791 -31.2417 43.1799 -31.2417 -125.541 GPRESSAVG: 1208400 52.2772 3.72673 43.466 3.38878 50.2386 -30.0214 43.1865 -30.5486 -124.798 TIMING: 1208400 CPU: 3634.78, 0.00308875/step Wall: 3634.78, 0.00308875/step, 3.25314 hours remaining, 206.222656 MB of memory in use. ENERGY: 1208400 769.3716 2106.6851 1932.6644 105.9520 -205806.1934 17789.8415 0.0000 0.0000 34235.2335 -148866.4452 298.9848 -183101.6787 -148774.0690 300.3592 -89.4767 -60.7265 558066.7995 -7.4409 -7.4272 PRESSURE: 1208600 -1.68141 26.2834 6.84987 26.2818 258.765 -103.612 6.8504 -103.613 -87.5831 GPRESSURE: 1208600 94.1102 6.98277 75.9853 3.81163 244.091 -55.5055 9.2651 -93.8494 -79.4439 PRESSAVG: 1208600 25.3231 37.7525 109.425 37.7525 23.2368 -19.9531 109.425 -19.953 -76.381 GPRESSAVG: 1208600 24.4579 36.8992 109.01 37.386 22.2937 -20.7088 108.707 -19.7189 -74.6585 TIMING: 1208600 CPU: 3635.38, 0.00299992/step Wall: 3635.38, 0.00299992/step, 3.15942 hours remaining, 206.222656 MB of memory in use. ENERGY: 1208600 785.8411 2101.2876 1944.0341 95.0350 -206161.8459 17995.0781 0.0000 0.0000 34452.7026 -148787.8674 300.8840 -183240.5699 -148695.0580 300.1487 56.5003 86.2526 557306.8934 -9.2737 -9.3023 PRESSURE: 1208800 182.406 -41.7743 -118.826 -41.7744 -101.449 75.5107 -118.824 75.5107 -257.06 GPRESSURE: 1208800 216.115 -28.6401 -114.531 18.0547 -15.6395 61.7871 -117.998 22.2242 -273.235 PRESSAVG: 1208800 38.628 53.7986 51.8039 53.7986 61.973 -40.9143 51.8039 -40.9143 -50.9777 GPRESSAVG: 1208800 38.4483 53.9391 49.1489 52.7122 62.6972 -39.4772 53.5155 -41.3208 -52.1184 TIMING: 1208800 CPU: 3635.98, 0.00300362/step Wall: 3635.98, 0.00300362/step, 3.16315 hours remaining, 206.222656 MB of memory in use. ENERGY: 1208800 725.8028 2112.3764 1947.6018 116.1283 -206127.3602 17882.6752 0.0000 0.0000 34457.1908 -148885.5848 300.9232 -183342.7756 -148786.5143 300.4077 -58.7011 -24.2531 558038.8570 16.5411 16.3424 PRESSURE: 1209000 -84.1532 61.5987 -114.059 61.5973 -210.469 6.00152 -114.059 6.00164 -199.59 GPRESSURE: 1209000 -76.0631 30.348 -78.9258 87.5095 -142.882 21.8085 -133.313 102.742 -174.958 PRESSAVG: 1209000 60.0578 -7.1916 -15.2192 -7.19156 -7.75314 25.8502 -15.2193 25.8502 -24.4477 GPRESSAVG: 1209000 60.1519 -8.24012 -13.0271 -4.07617 -7.38425 26.1019 -17.0516 24.9277 -25.3064 TIMING: 1209000 CPU: 3636.58, 0.00300142/step Wall: 3636.58, 0.00300142/step, 3.16066 hours remaining, 206.222656 MB of memory in use. ENERGY: 1209000 751.9150 2070.5521 1924.5537 96.5609 -205662.7506 17522.3295 0.0000 0.0000 34145.7089 -149151.1304 298.2030 -183296.8393 -149056.3934 300.1450 -164.7374 -131.3009 558708.7090 9.2857 9.1538 PRESSURE: 1209200 -13.6346 -8.53949 -57.6846 -8.53873 -157.877 -185.319 -57.6855 -185.32 -183.035 GPRESSURE: 1209200 -25.3802 -21.9272 -124.915 30.4158 -46.6866 -175.572 54.1603 -198.998 -189.112 PRESSAVG: 1209200 54.7734 55.3933 -49.2098 55.3934 52.5905 -21.5046 -49.2097 -21.5046 -68.4656 GPRESSAVG: 1209200 55.2753 57.0668 -51.5012 52.3593 52.2445 -21.9278 -46.8376 -20.6747 -68.8914 TIMING: 1209200 CPU: 3637.19, 0.00302318/step Wall: 3637.19, 0.00302318/step, 3.18341 hours remaining, 206.222656 MB of memory in use. ENERGY: 1209200 770.0287 2067.7616 1925.4305 110.2595 -205673.7200 17504.1260 0.0000 0.0000 34265.6576 -149030.4563 299.2505 -183296.1138 -148934.8260 299.3894 -118.1823 -87.0596 557694.6144 12.9661 12.8761 PRESSURE: 1209400 103.03 10.5326 99.9233 10.5337 155.842 -56.632 99.9221 -56.6347 -44.7082 GPRESSURE: 1209400 130.998 105.755 110.004 33.7895 188.803 -85.8696 88.4439 -107.951 -14.1099 PRESSAVG: 1209400 8.77841 11.2621 -17.388 11.2621 13.4166 -33.837 -17.3881 -33.837 -0.0165442 GPRESSAVG: 1209400 7.95123 9.91809 -15.8054 9.85386 14.4113 -33.6986 -20.7646 -33.9332 0.152238 TIMING: 1209400 CPU: 3637.79, 0.00300578/step Wall: 3637.79, 0.00300578/step, 3.16492 hours remaining, 206.222656 MB of memory in use. ENERGY: 1209400 787.3964 2072.3970 1935.2927 114.9752 -205965.5602 17808.7616 0.0000 0.0000 34198.7602 -149047.9772 298.6663 -183246.7374 -148952.6622 299.7297 71.3879 101.8969 557288.8085 7.3928 7.5049 PRESSURE: 1209600 129.036 -58.8669 -122.346 -58.868 136.913 44.2633 -122.347 44.2641 79.5685 GPRESSURE: 1209600 146.074 -14.1491 -140.242 -22.424 198.895 106.566 -60.6018 16.2489 96.9846 PRESSAVG: 1209600 71.3075 -71.3556 -22.2224 -71.3555 -7.35579 7.04455 -22.2225 7.04456 -75.2685 GPRESSAVG: 1209600 72.6445 -70.3709 -20.3327 -70.8009 -9.14044 6.43995 -20.9267 5.90444 -74.4024 TIMING: 1209600 CPU: 3638.39, 0.00302534/step Wall: 3638.39, 0.00302534/step, 3.18535 hours remaining, 206.222656 MB of memory in use. ENERGY: 1209600 770.7043 2050.5599 1922.5576 108.8149 -206011.8401 17869.2997 0.0000 0.0000 34258.8785 -149031.0251 299.1913 -183289.9037 -148929.5871 299.0318 115.1725 147.3177 556594.6846 -3.7722 -3.6328 PRESSURE: 1209800 181.701 -80.752 -90.0675 -80.7522 -262.74 82.7473 -90.0671 82.747 34.1309 GPRESSURE: 1209800 161.364 -116.12 -140.397 -1.8793 -164.669 137.48 -38.0529 79.2903 38.0585 PRESSAVG: 1209800 -35.3885 -72.2867 33.4466 -72.2867 40.9582 -17.5969 33.4466 -17.5969 12.3176 GPRESSAVG: 1209800 -35.246 -73.654 32.1841 -71.1846 41.824 -17.4771 32.0751 -17.3264 11.3325 TIMING: 1209800 CPU: 3639, 0.00306091/step Wall: 3639, 0.00306091/step, 3.22263 hours remaining, 206.222656 MB of memory in use. ENERGY: 1209800 729.5630 2092.2143 1945.4717 122.9963 -205659.9743 17545.7685 0.0000 0.0000 34298.9827 -148924.9779 299.5415 -183223.9606 -148828.5961 299.1675 -15.6360 11.5845 557652.9026 5.9625 5.9702 PRESSURE: 1210000 -171.703 23.0289 -104.897 23.0295 22.8496 83.364 -104.897 83.3652 70.2524 GPRESSURE: 1210000 -106.443 -40.4931 -87.0717 5.2453 54.693 72.8824 -99.6343 43.631 74.8249 PRESSAVG: 1210000 -34.0124 4.80328 32.2974 4.80328 12.7753 4.99444 32.2972 4.99452 0.299777 GPRESSAVG: 1210000 -32.8951 6.99902 32.2285 4.63067 12.1963 6.45052 33.8759 4.34421 0.317203 TIMING: 1210000 CPU: 3639.61, 0.00304541/step Wall: 3639.61, 0.00304541/step, 3.20613 hours remaining, 206.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1210000 733.5548 2023.8992 1923.6471 97.2863 -205918.3940 17698.2017 0.0000 0.0000 34488.5147 -148953.2902 301.1968 -183441.8049 -148855.9415 299.5704 -26.2004 7.6915 557471.4349 -6.9791 -6.7939 PRESSURE: 1210200 -155.125 -126.444 209.354 -126.443 -190.236 17.7105 209.355 17.7131 -197.998 GPRESSURE: 1210200 -114.488 -56.2271 142.967 -121.604 -167.905 -3.43166 258.95 2.12999 -162.06 PRESSAVG: 1210200 -71.8265 -20.4997 -2.02637 -20.4996 35.0301 -5.45241 -2.02627 -5.45233 3.04959 GPRESSAVG: 1210200 -73.523 -21.8371 -2.10411 -19.612 35.0721 -8.33805 -2.76806 -3.44248 4.29499 TIMING: 1210200 CPU: 3640.22, 0.00304381/step Wall: 3640.22, 0.00304381/step, 3.20429 hours remaining, 206.222656 MB of memory in use. ENERGY: 1210200 772.0603 2063.0880 1926.9798 111.8878 -205944.6033 17691.7093 0.0000 0.0000 34315.6825 -149063.1956 299.6874 -183378.8781 -148968.4523 299.5748 -181.1199 -148.1507 559082.2128 -11.2489 -11.3853 PRESSURE: 1210400 -95.8064 -102.77 -137.377 -102.771 202.023 36.497 -137.377 36.4976 15.5173 GPRESSURE: 1210400 -73.1144 19.8607 -91.3685 -175.074 231.435 0.823251 -136.19 28.0212 67.6302 PRESSAVG: 1210400 -38.1553 -36.5514 22.2258 -36.5515 -13.3726 -30.2553 22.2258 -30.2554 17.5671 GPRESSAVG: 1210400 -38.3058 -34.8688 22.1138 -36.7823 -12.7344 -29.4624 22.1141 -29.6798 17.2523 TIMING: 1210400 CPU: 3640.82, 0.00300948/step Wall: 3640.82, 0.00300948/step, 3.16798 hours remaining, 206.222656 MB of memory in use. ENERGY: 1210400 730.8773 2084.7365 1944.5011 111.8767 -206342.4915 18058.7054 0.0000 0.0000 34321.4920 -149090.3025 299.7381 -183411.7945 -148990.3665 299.9384 40.5781 75.3168 558069.3734 -11.3203 -11.2626 PRESSURE: 1210600 113.79 83.6141 -8.87831 83.6124 121.243 -53.5454 -8.87762 -53.5463 11.5522 GPRESSURE: 1210600 138.606 37.1597 -66.2126 118.347 153.536 -26.4089 -109.134 -50.3429 38.8254 PRESSAVG: 1210600 -26.2483 29.685 -40.1419 29.6851 -74.5085 15.2351 -40.1419 15.2351 34.1984 GPRESSAVG: 1210600 -25.24 28.3461 -39.7299 27.9964 -73.2616 16.9793 -39.7266 13.304 32.4493 TIMING: 1210600 CPU: 3641.43, 0.00301746/step Wall: 3641.43, 0.00301746/step, 3.17621 hours remaining, 206.222656 MB of memory in use. ENERGY: 1210600 760.9154 2031.3863 1954.3360 115.0633 -206159.2899 18004.7541 0.0000 0.0000 34378.2747 -148914.5601 300.2340 -183292.8348 -148810.4731 299.8119 82.1950 110.3224 557336.8335 -22.1862 -22.0174 PRESSURE: 1210800 88.8074 -45.9132 -19.9241 -45.9105 19.6895 -4.16758 -19.9241 -4.16754 -36.9279 GPRESSURE: 1210800 112.637 -67.851 -28.7875 -15.6261 39.2727 -46.0902 -48.0109 109.872 13.8933 PRESSAVG: 1210800 -46.6048 -31.9479 -11.3824 -31.9478 6.7801 30.0299 -11.3824 30.03 60.9157 GPRESSAVG: 1210800 -47.4953 -31.0265 -9.08286 -31.055 5.80379 28.8149 -13.2571 31.4812 63.0658 TIMING: 1210800 CPU: 3642.02, 0.00298541/step Wall: 3642.02, 0.00298541/step, 3.14231 hours remaining, 206.222656 MB of memory in use. ENERGY: 1210800 768.1445 2088.6650 1918.6124 115.8062 -205968.3096 17973.2963 0.0000 0.0000 34044.9379 -149058.8472 297.3229 -183103.7851 -148963.2658 300.0747 23.8564 55.2676 557004.0490 7.0304 7.1247 PRESSURE: 1211000 -111.205 -185.511 54.3296 -185.511 -16.2562 -56.4184 54.3284 -56.4176 146.032 GPRESSURE: 1211000 -53.7321 -240.5 17.5766 -99.5279 5.82268 -18.8486 60.0691 -162.933 162.049 PRESSAVG: 1211000 -23.9249 2.11452 -28.0238 2.11456 22.6606 -47.8512 -28.0238 -47.8513 11.5984 GPRESSAVG: 1211000 -23.9674 2.21313 -29.4675 2.17173 22.4602 -47.7669 -26.5529 -48.3508 12.1279 TIMING: 1211000 CPU: 3642.64, 0.00306847/step Wall: 3642.64, 0.00306847/step, 3.22956 hours remaining, 206.222656 MB of memory in use. ENERGY: 1211000 756.3643 2078.5438 1949.3319 118.1198 -206512.3321 17893.6684 0.0000 0.0000 34374.5745 -149341.7294 300.2017 -183716.3039 -149237.8445 298.7346 6.1900 38.0466 557387.6032 3.4447 3.5402 PRESSURE: 1211200 8.93451 -57.9267 212.148 -57.9264 186.353 -0.955493 212.148 -0.956074 285.55 GPRESSURE: 1211200 34.6516 -33.3102 245.652 -14.2981 248.021 -34.5765 137.304 -24.277 309.084 PRESSAVG: 1211200 -52.9349 17.0748 4.18499 17.0748 75.3464 69.3846 4.18501 69.3845 -13.9782 GPRESSAVG: 1211200 -52.3614 15.8266 4.12893 18.2339 74.9117 69.693 3.47365 67.8869 -14.2951 TIMING: 1211200 CPU: 3643.25, 0.00307164/step Wall: 3643.25, 0.00307164/step, 3.23273 hours remaining, 206.222656 MB of memory in use. ENERGY: 1211200 748.5145 2070.6467 1914.8965 104.0910 -206551.6317 17908.2167 0.0000 0.0000 34296.4526 -149508.8137 299.5195 -183805.2663 -149407.9443 298.7972 160.2790 197.2520 555668.2217 2.8111 2.7517 PRESSURE: 1211400 -337.046 -98.9508 81.5222 -98.9515 -24.7268 185.172 81.5219 185.172 -128.887 GPRESSURE: 1211400 -354.848 -49.8232 22.5687 -140.24 52.6305 154.278 51.68 123.831 -88.7237 PRESSAVG: 1211400 2.6995 31.031 -40.9523 31.0309 19.7691 26.6387 -40.9524 26.6387 -38.7727 GPRESSAVG: 1211400 2.61274 30.1277 -41.3457 30.7033 20.1827 27.4167 -38.6512 27.6023 -39.2477 TIMING: 1211400 CPU: 3643.86, 0.00305525/step Wall: 3643.86, 0.00305525/step, 3.21532 hours remaining, 206.222656 MB of memory in use. ENERGY: 1211400 771.6596 2159.3270 1912.0968 113.1104 -205993.6767 17498.3626 0.0000 0.0000 34045.0444 -149494.0758 297.3238 -183539.1202 -149394.0442 298.1862 -163.5533 -130.3137 558711.4954 -5.4347 -5.4841 PRESSURE: 1211600 32.5686 -87.1187 37.2686 -87.1198 304.498 -88.9422 37.267 -88.9413 60.9357 GPRESSURE: 1211600 66.6399 -50.4361 -31.4768 -9.97377 334.493 -114.337 52.3139 -54.8336 93.3786 PRESSAVG: 1211600 -29.6565 -18.07 21.1578 -18.07 71.1964 21.1526 21.1579 21.1527 -21.3663 GPRESSAVG: 1211600 -30.1928 -16.2935 23.3638 -16.3236 71.7458 20.517 19.0705 22.0484 -21.1674 TIMING: 1211600 CPU: 3644.48, 0.0030615/step Wall: 3644.48, 0.0030615/step, 3.22172 hours remaining, 206.222656 MB of memory in use. ENERGY: 1211600 729.2032 2112.0661 1918.8153 101.5561 -206946.5645 18185.0650 0.0000 0.0000 34122.4684 -149777.3904 298.0000 -183899.8588 -149677.6974 298.2042 132.6673 164.8371 558651.5894 6.7245 6.7952 PRESSURE: 1211800 -47.7791 23.3333 -76.0731 23.334 28.3453 -64.0792 -76.0736 -64.0813 19.2199 GPRESSURE: 1211800 -24.3182 107.287 -66.2177 -41.8729 69.8776 -60.8773 -30.0509 8.54041 57.1626 PRESSAVG: 1211800 17.2511 -72.5864 38.1865 -72.5864 -4.67084 14.774 38.1864 14.774 -22.7589 GPRESSAVG: 1211800 17.2863 -73.5999 35.8739 -74.1956 -4.08631 15.182 38.1585 15.0248 -22.9872 TIMING: 1211800 CPU: 3645.08, 0.00300467/step Wall: 3645.08, 0.00300467/step, 3.16175 hours remaining, 206.222656 MB of memory in use. ENERGY: 1211800 769.8382 2108.9352 1953.2655 98.7723 -207064.8985 18255.5038 0.0000 0.0000 34071.5247 -149807.0587 297.5551 -183878.5835 -149708.0218 298.1201 -0.0713 34.2407 557779.0139 -3.3929 -3.2624 PRESSURE: 1212000 -188.474 96.4264 -31.3113 96.4259 -74.1163 -84.4653 -31.3103 -84.4635 -148.974 GPRESSURE: 1212000 -150.002 83.783 -97.6808 90.9847 -26.4957 -120.319 11.2138 -76.5791 -147.552 PRESSAVG: 1212000 28.1522 -27.7823 34.8392 -27.7822 -38.1248 -43.7016 34.8392 -43.7016 7.96013 GPRESSAVG: 1212000 28.8293 -28.3151 36.4119 -28.6852 -38.268 -44.4742 37.506 -43.5169 7.73724 TIMING: 1212000 CPU: 3645.68, 0.00302447/step Wall: 3645.68, 0.00302447/step, 3.18242 hours remaining, 206.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1212000 716.5676 2036.0457 1923.1378 103.8276 -206493.5860 17784.0144 0.0000 0.0000 34120.3365 -149809.6566 297.9814 -183929.9930 -149711.2612 298.0519 -137.1884 -108.0165 558204.4324 -0.6708 -0.5672 PRESSURE: 1212200 86.1206 14.4832 42.925 14.4828 -40.2153 -1.09279 42.9252 -1.09183 134.184 GPRESSURE: 1212200 143.311 61.4792 10.8692 -145.704 17.017 14.2655 14.8036 4.84715 130.942 PRESSAVG: 1212200 2.23067 32.6407 5.20078 32.6407 31.3828 -38.3216 5.20077 -38.3217 -47.6329 GPRESSAVG: 1212200 2.64707 32.3035 5.67776 33.0547 31.1208 -36.8494 5.29764 -40.5311 -47.6478 TIMING: 1212200 CPU: 3646.28, 0.00299945/step Wall: 3646.28, 0.00299945/step, 3.15592 hours remaining, 206.222656 MB of memory in use. ENERGY: 1212200 742.2175 2086.5575 1949.1027 104.4722 -206820.3474 18136.2632 0.0000 0.0000 34191.5935 -149610.1408 298.6037 -183801.7343 -149509.8973 297.7167 60.0299 97.0898 558596.0091 -4.6731 -4.6267 LDB: ============= START OF LOAD BALANCING ============== 3649.8 LDB: ============== END OF LOAD BALANCING =============== 3649.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3649.8 LDB: ============= START OF LOAD BALANCING ============== 3650.1 LDB: Largest compute 4800 load 0.027116 is 23.0% of average load 0.117830 LDB: Average compute 0.001741 is 1.5% of average load 0.117830 LDB: TIME 3650.1 LOAD: AVG 0.11783 MAX 0.209698 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.023 MB LDB: TIME 3650.1 LOAD: AVG 0.11783 MAX 0.209698 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.227 MB LDB: TIME 3650.1 LOAD: AVG 0.11783 MAX 0.209698 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.227 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3650.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3650.11 PRESSURE: 1212400 164.382 53.1658 128.212 53.1648 -8.30701 -59.8015 128.211 -59.8018 -79.9536 GPRESSURE: 1212400 207.664 154.774 44.387 -21.9983 67.367 -116.734 117.233 -44.3534 -99.4947 PRESSAVG: 1212400 42.5433 -26.7227 23.0294 -26.7227 -11.399 -54.3239 23.0294 -54.3239 -7.99405 GPRESSAVG: 1212400 40.9846 -25.4302 21.548 -28.3532 -9.29027 -55.7188 23.0629 -53.2625 -8.4719 TIMING: 1212400 CPU: 3646.89, 0.00304926/step Wall: 3646.89, 0.00304926/step, 3.20816 hours remaining, 208.738281 MB of memory in use. ENERGY: 1212400 735.3994 2086.7660 1941.0730 121.4894 -206219.8309 17865.5514 0.0000 0.0000 34089.1993 -149380.3523 297.7095 -183469.5517 -149287.5843 297.9865 25.3739 58.5121 559261.2500 7.7168 7.7408 PRESSURE: 1212600 -159.534 -162.34 -27.503 -162.34 -160.268 -204.434 -27.5034 -204.433 -179.248 GPRESSURE: 1212600 -55.1254 -161.461 -78.9757 -157.672 -138.252 -221.61 -92.4465 -115.247 -211.096 PRESSAVG: 1212600 21.0708 22.8545 13.2949 22.8545 -4.75131 -55.2355 13.2949 -55.2354 11.5588 GPRESSAVG: 1212600 21.912 24.1402 12.5943 22.9128 -6.37081 -55.7414 12.466 -54.9371 12.4241 TIMING: 1212600 CPU: 3647.49, 0.00300996/step Wall: 3647.49, 0.00300996/step, 3.16664 hours remaining, 208.738281 MB of memory in use. ENERGY: 1212600 759.0996 2074.2482 1929.0159 124.9473 -205813.5205 17515.0412 0.0000 0.0000 34235.6076 -149175.5606 298.9881 -183411.1683 -149078.6681 298.4114 -166.3498 -134.8242 558265.1342 9.2928 9.3218 PRESSURE: 1212800 -33.7953 141.232 -77.2082 141.231 41.3929 75.3338 -77.2069 75.3333 11.491 GPRESSURE: 1212800 -23.8437 54.8333 -131.457 174.112 61.4495 79.1598 -22.5114 29.6164 65.4015 PRESSAVG: 1212800 -25.6041 13.3691 -14.7884 13.3692 26.3273 -9.57683 -14.7885 -9.57683 21.5742 GPRESSAVG: 1212800 -25.0209 11.4281 -14.4675 14.2701 26.4444 -7.73388 -13.894 -11.3741 21.1079 TIMING: 1212800 CPU: 3648.1, 0.00301124/step Wall: 3648.1, 0.00301124/step, 3.16783 hours remaining, 208.738281 MB of memory in use. ENERGY: 1212800 721.9852 2083.2083 1914.1202 120.0416 -206385.7236 17881.8529 0.0000 0.0000 34515.1175 -149149.3979 301.4291 -183664.5154 -149046.9341 299.7012 6.3629 34.3357 557401.8943 7.4325 7.5105 PRESSURE: 1213000 -432.635 -58.7485 -131.89 -58.7476 -61.6291 -2.77091 -131.89 -2.77002 -177.532 GPRESSURE: 1213000 -431.71 -26.2118 -114.604 -41.0914 -33.8359 -21.2692 -132.382 108.843 -109.091 PRESSAVG: 1213000 -76.838 -49.7303 -17.8871 -49.7303 55.7702 28.6142 -17.8871 28.6142 23.617 GPRESSAVG: 1213000 -76.3141 -50.5956 -16.5883 -49.6079 54.2387 28.2441 -18.8803 31.0774 24.5952 TIMING: 1213000 CPU: 3648.7, 0.0030246/step Wall: 3648.7, 0.0030246/step, 3.18172 hours remaining, 208.738281 MB of memory in use. ENERGY: 1213000 769.8558 2102.6082 1961.5887 103.6813 -206289.5759 17610.5612 0.0000 0.0000 34561.5015 -149179.7792 301.8342 -183741.2807 -149083.5077 299.0077 -223.9319 -191.5456 557984.7147 0.8498 0.8399 PRESSURE: 1213200 35.4339 -72.8673 -109.165 -72.8679 -211.753 -148.96 -109.165 -148.96 -35.0513 GPRESSURE: 1213200 83.4636 -163.003 -54.3555 -22.8736 -188.749 -131.66 -77.1923 -154.718 -6.74939 PRESSAVG: 1213200 -2.56161 -26.1962 2.91943 -26.1962 21.0202 46.3016 2.91936 46.3016 -34.6043 GPRESSAVG: 1213200 -4.3078 -26.8319 2.86571 -24.9134 22.3832 44.4595 2.50839 47.2631 -34.0406 TIMING: 1213200 CPU: 3649.31, 0.00303447/step Wall: 3649.31, 0.00303447/step, 3.19193 hours remaining, 208.738281 MB of memory in use. ENERGY: 1213200 762.1307 2121.6949 1961.3255 134.0436 -206289.8942 17894.6424 0.0000 0.0000 34352.4159 -149063.6411 300.0082 -183416.0570 -148970.5663 299.2741 -70.4569 -37.3451 557972.0893 -5.3819 -5.3217 PRESSURE: 1213400 -296.362 -1.48713 -255.258 -1.48684 -211.49 -14.9457 -255.259 -14.9462 220.056 GPRESSURE: 1213400 -252.56 11.3241 -135.248 15.8662 -169.737 -0.929286 -390.593 -67.8139 218.706 PRESSAVG: 1213400 -33.9804 -2.87266 -22.3049 -2.87272 0.436544 2.66739 -22.305 2.66753 39.3205 GPRESSAVG: 1213400 -32.2173 -1.82799 -23.5302 -3.76004 -0.229918 5.30008 -21.034 0.983636 38.6322 TIMING: 1213400 CPU: 3649.91, 0.00302967/step Wall: 3649.91, 0.00302967/step, 3.18671 hours remaining, 208.738281 MB of memory in use. ENERGY: 1213400 773.6381 2138.4030 1970.0185 115.5997 -206314.5204 17764.5120 0.0000 0.0000 34412.0975 -149140.2516 300.5294 -183552.3491 -149036.3826 299.6064 -95.9321 -67.8635 556814.9427 1.9256 2.0617 PRESSURE: 1213600 41.3024 111.032 81.2805 111.032 245.246 137.06 81.2818 137.06 -242.783 GPRESSURE: 1213600 133.104 55.875 118.548 98.5726 273.512 216.295 26.1593 17.414 -258.424 PRESSAVG: 1213600 41.6125 -28.2766 17.293 -28.2767 -62.9189 2.01883 17.2931 2.01885 12.0661 GPRESSAVG: 1213600 41.7717 -29.9272 17.6397 -27.3978 -61.9791 1.65248 18.8687 1.45727 11.6024 TIMING: 1213600 CPU: 3650.52, 0.00301139/step Wall: 3650.52, 0.00301139/step, 3.16731 hours remaining, 208.738281 MB of memory in use. ENERGY: 1213600 745.4026 2126.3372 1954.3860 115.8141 -205944.9636 17825.4623 0.0000 0.0000 34191.5260 -148986.0354 298.6031 -183177.5614 -148892.7193 299.4494 14.5884 49.3974 558710.2864 -3.0801 -2.8683 PRESSURE: 1213800 -355.045 70.9932 120.402 70.9927 -96.0497 256.585 120.4 256.584 5.11738 GPRESSURE: 1213800 -303.206 33.0375 36.8024 11.4701 -57.4884 210.375 152.044 207.597 26.9065 PRESSAVG: 1213800 44.0201 3.24466 -26.7791 3.24461 -4.0676 7.41461 -26.7791 7.41448 -55.5015 GPRESSAVG: 1213800 42.9979 5.36667 -24.8119 3.49332 -2.97981 5.52669 -29.1855 8.30002 -55.271 TIMING: 1213800 CPU: 3651.11, 0.00298164/step Wall: 3651.11, 0.00298164/step, 3.13586 hours remaining, 208.738281 MB of memory in use. ENERGY: 1213800 726.2915 2089.9372 1943.4617 116.7225 -205546.6459 17506.7479 0.0000 0.0000 34405.3515 -148758.1335 300.4705 -183163.4850 -148665.8946 300.1657 -148.6590 -111.2627 558573.1539 -5.1830 -5.0843 PRESSURE: 1214000 -76.0574 87.1132 88.796 87.1146 -239.028 -48.666 88.7959 -48.6666 56.1812 GPRESSURE: 1214000 -66.4534 81.1195 95.0805 60.7885 -199.324 -30.5066 66.5793 -57.3237 114.123 PRESSAVG: 1214000 -11.5487 19.364 22.387 19.364 32.4889 1.41036 22.387 1.41034 15.246 GPRESSAVG: 1214000 -9.66523 17.9334 19.2262 18.4371 30.5219 2.15401 22.835 0.75907 15.5133 TIMING: 1214000 CPU: 3651.71, 0.00298998/step Wall: 3651.71, 0.00298998/step, 3.14446 hours remaining, 208.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1214000 727.1419 2063.6610 1941.4317 103.9352 -205653.6583 17599.5019 0.0000 0.0000 34301.1559 -148916.8306 299.5605 -183217.9865 -148818.7243 300.1025 -86.3015 -50.5516 557767.5250 12.0621 12.1233 PRESSURE: 1214200 -17.0779 148.07 116.305 148.07 -32.6883 214.183 116.305 214.184 43.858 GPRESSURE: 1214200 30.3787 218.743 20.3189 123.246 36.3869 179.896 154.574 258.104 15.2873 PRESSAVG: 1214200 8.46904 1.89927 16.3009 1.89928 -8.78864 -14.3942 16.3009 -14.3942 -2.46323 GPRESSAVG: 1214200 6.46422 4.11496 19.7634 1.73819 -8.64303 -15.2365 14.4363 -14.8193 -1.52943 TIMING: 1214200 CPU: 3652.31, 0.00300784/step Wall: 3652.31, 0.00300784/step, 3.16308 hours remaining, 208.738281 MB of memory in use. ENERGY: 1214200 754.6989 2111.5114 1915.1495 121.7558 -205857.4498 17709.8212 0.0000 0.0000 34317.7014 -148926.8117 299.7050 -183244.5131 -148835.6142 299.8564 -1.9694 27.3510 557671.6388 -0.9276 -1.2361 PRESSURE: 1214400 -148.333 -40.6781 63.5177 -40.679 8.97907 -66.7491 63.5182 -66.748 -74.9371 GPRESSURE: 1214400 -129.268 10.0511 -72.5652 -81.973 80.7614 -62.7129 162.443 -39.0968 -52.0546 PRESSAVG: 1214400 -13.7581 31.935 -22.4425 31.9351 39.9018 24.6852 -22.4425 24.6854 -27.2551 GPRESSAVG: 1214400 -13.8731 30.0101 -22.83 31.3818 39.6318 20.9907 -18.8957 27.4537 -27.5757 TIMING: 1214400 CPU: 3652.91, 0.00301882/step Wall: 3652.91, 0.00301882/step, 3.17446 hours remaining, 208.738281 MB of memory in use. ENERGY: 1214400 736.5631 2065.4169 1971.7924 118.7203 -205907.3833 17613.7639 0.0000 0.0000 34294.8830 -149106.2437 299.5057 -183401.1267 -149010.3126 299.9159 -71.4305 -33.5205 558134.7725 -0.3705 -0.6057 PRESSURE: 1214600 0.631381 -51.7006 45.9441 -51.7014 -321.101 -29.984 45.9434 -29.9849 118.627 GPRESSURE: 1214600 -1.25271 -51.9986 30.322 44.7489 -240.916 -0.579955 64.9661 -39.7263 144.37 PRESSAVG: 1214600 -0.0818035 -16.548 -23.4932 -16.548 28.0136 -11.9319 -23.4932 -11.9318 8.16881 GPRESSAVG: 1214600 0.484776 -15.6426 -24.8358 -13.931 28.4141 -8.98397 -25.6791 -12.4088 7.3429 TIMING: 1214600 CPU: 3653.51, 0.00299907/step Wall: 3653.51, 0.00299907/step, 3.15352 hours remaining, 208.738281 MB of memory in use. ENERGY: 1214600 752.9192 2103.6348 1972.3079 115.9005 -206339.7707 17754.1414 0.0000 0.0000 34534.2343 -149106.6325 301.5961 -183640.8668 -149002.7349 299.8310 -67.2809 -32.5997 557247.0608 12.0335 12.0806 PRESSURE: 1214800 -83.5193 64.7166 -90.7139 64.7165 -72.9452 70.185 -90.7144 70.1837 133.944 GPRESSURE: 1214800 -27.5809 144.513 -125.782 19.8149 -50.3682 -3.79978 -60.4132 45.6733 159.769 PRESSAVG: 1214800 -18.8302 -55.4047 -26.242 -55.4047 22.8496 4.71774 -26.2418 4.71767 -46.2432 GPRESSAVG: 1214800 -18.6317 -55.1761 -24.5468 -57.6571 21.6977 1.90779 -26.5642 5.7903 -45.6194 TIMING: 1214800 CPU: 3654.12, 0.00301203/step Wall: 3654.12, 0.00301203/step, 3.16698 hours remaining, 208.738281 MB of memory in use. ENERGY: 1214800 777.8481 2057.3952 1932.0243 116.9627 -206013.5747 17780.4852 0.0000 0.0000 34377.2053 -148971.6540 300.2247 -183348.8593 -148876.2143 299.6782 -7.5067 27.2733 557938.0113 -14.0746 -14.1845 PRESSURE: 1215000 -26.4346 -66.4905 95.211 -66.4905 314.649 1.92912 95.2095 1.92884 59.6363 GPRESSURE: 1215000 27.9188 -185.837 135.062 -68.4049 313.343 72.4387 99.756 -40.8936 94.1733 PRESSAVG: 1215000 -58.0625 -53.371 -23.6482 -53.371 16.512 8.22742 -23.6483 8.22747 71.8634 GPRESSAVG: 1215000 -58.2304 -53.5782 -24.368 -54.2504 18.4344 13.8222 -22.5415 6.10193 70.1119 TIMING: 1215000 CPU: 3654.72, 0.00300708/step Wall: 3654.72, 0.00300708/step, 3.16161 hours remaining, 208.738281 MB of memory in use. ENERGY: 1215000 730.2861 2050.3360 1962.2746 113.9826 -206044.1943 17861.4434 0.0000 0.0000 34395.5513 -148930.3202 300.3849 -183325.8715 -148830.9754 299.4930 115.9503 145.1450 557345.0875 10.1043 10.1053 PRESSURE: 1215200 -218.576 106.621 -95.979 106.621 -36.837 -30.6772 -95.978 -30.6777 49.0319 GPRESSURE: 1215200 -193.027 124.432 -121.392 70.2563 49.0391 -43.3634 -113.748 14.834 36.4029 PRESSAVG: 1215200 -31.1139 10.4151 -56.8341 10.4151 2.20583 -16.2299 -56.8341 -16.23 -10.1194 GPRESSAVG: 1215200 -30.7395 10.4966 -60.1132 11.8737 0.981653 -19.0952 -57.5526 -14.9738 -9.20911 TIMING: 1215200 CPU: 3655.32, 0.00301779/step Wall: 3655.32, 0.00301779/step, 3.1727 hours remaining, 208.738281 MB of memory in use. ENERGY: 1215200 744.6793 2084.1113 1940.3705 113.4340 -206048.6676 17795.4902 0.0000 0.0000 34657.1908 -148713.3914 302.6699 -183370.5822 -148614.5634 299.2977 -68.7938 -35.8615 557506.7923 -13.0091 -12.9890 PRESSURE: 1215400 -362.266 -40.0703 81.5631 -40.0699 -206.995 -40.7012 81.5649 -40.7015 29.3014 GPRESSURE: 1215400 -357.543 -0.78931 135.349 6.91556 -232.687 19.1845 92.4565 -36.4933 142.784 PRESSAVG: 1215400 -14.83 -23.1172 -62.7414 -23.1172 -33.262 -3.85353 -62.7413 -3.85353 49.2583 GPRESSAVG: 1215400 -16.7389 -23.35 -61.3761 -22.4529 -32.9716 -4.28959 -63.695 -3.27071 50.8656 TIMING: 1215400 CPU: 3655.93, 0.00302813/step Wall: 3655.93, 0.00302813/step, 3.18341 hours remaining, 208.738281 MB of memory in use. ENERGY: 1215400 742.2205 2010.1931 1941.1406 121.6810 -205802.0170 17505.8994 0.0000 0.0000 34464.3784 -149016.5041 300.9860 -183480.8825 -148911.6749 300.5802 -179.9867 -149.1487 557398.4307 0.3888 0.3850 PRESSURE: 1215600 113.621 -48.8099 82.2937 -48.8097 -123.097 -37.6322 82.2941 -37.6329 26.0511 GPRESSURE: 1215600 167.772 -87.494 48.4161 -59.8131 -86.2775 -9.20474 124.938 -98.5806 34.7805 PRESSAVG: 1215600 -21.3764 -23.7411 -19.3255 -23.7411 12.8072 -10.6139 -19.3255 -10.6139 44.9523 GPRESSAVG: 1215600 -21.3457 -24.2391 -17.9005 -25.0812 13.0256 -9.0067 -18.6954 -12.7182 44.4039 TIMING: 1215600 CPU: 3656.53, 0.00300158/step Wall: 3656.53, 0.00300158/step, 3.15532 hours remaining, 208.738281 MB of memory in use. ENERGY: 1215600 742.3292 2080.6661 1947.5809 116.8459 -206037.4404 17778.2629 0.0000 0.0000 34341.7141 -149030.0413 299.9147 -183371.7554 -148936.6732 299.4761 5.5249 38.7582 558013.6099 12.1277 12.0279 PRESSURE: 1215800 9.62196 -36.1842 40.1552 -36.1847 -29.2208 5.84259 40.1546 5.84239 -250.318 GPRESSURE: 1215800 75.7291 39.4205 99.391 -91.8645 -33.0314 86.4553 10.6775 -57.4966 -220.79 PRESSAVG: 1215800 -9.96069 -11.9799 30.7015 -11.98 -48.0438 27.5475 30.7016 27.5476 67.3479 GPRESSAVG: 1215800 -9.99383 -10.5703 30.84 -11.5571 -48.0674 28.2678 30.4579 28.1748 67.3819 TIMING: 1215800 CPU: 3657.13, 0.00300023/step Wall: 3657.13, 0.00300023/step, 3.15374 hours remaining, 208.738281 MB of memory in use. ENERGY: 1215800 763.1080 2039.3593 1953.4417 119.4428 -206328.8216 17908.0918 0.0000 0.0000 34424.5365 -149120.8415 300.6380 -183545.3780 -149028.5248 299.1855 -89.9722 -59.3642 559303.1196 3.1145 3.1069 PRESSURE: 1216000 -345.92 -10.4585 -12.236 -10.4588 -276.5 133.28 -12.2366 133.28 108.706 GPRESSURE: 1216000 -306.263 -11.4525 -59.5611 -131.088 -217.201 155.107 -13.7755 21.4969 110.986 PRESSAVG: 1216000 -23.0926 -5.0278 -39.1246 -5.02783 -20.371 14.0345 -39.1246 14.0345 60.8095 GPRESSAVG: 1216000 -22.0222 -4.90896 -39.9775 -7.24327 -20.5898 13.4534 -39.1111 12.7566 60.3711 TIMING: 1216000 CPU: 3657.72, 0.00297854/step Wall: 3657.72, 0.00297854/step, 3.13078 hours remaining, 208.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1216000 740.7826 2085.7440 1957.3051 121.7867 -206043.6996 17642.0181 0.0000 0.0000 34352.9943 -149143.0687 300.0132 -183496.0630 -149046.8627 299.2423 -171.2383 -137.4928 559117.2535 5.7819 5.9197 PRESSURE: 1216200 118.293 -76.8321 -60.2692 -76.8303 65.1516 130.104 -60.2693 130.104 157.624 GPRESSURE: 1216200 117.268 -2.99793 -103.9 -112.128 103.71 143.939 -81.4772 74.7906 214.35 PRESSAVG: 1216200 -21.6972 -64.7985 -35.1998 -64.7985 21.7291 21.9214 -35.1998 21.9213 29.9539 GPRESSAVG: 1216200 -21.9284 -64.9621 -35.7685 -62.7692 21.5778 22.823 -33.7959 21.7307 29.7766 TIMING: 1216200 CPU: 3658.32, 0.00298228/step Wall: 3658.32, 0.00298228/step, 3.13455 hours remaining, 208.738281 MB of memory in use. ENERGY: 1216200 771.4780 2107.3308 1932.4638 113.9044 -206669.0678 18195.0366 0.0000 0.0000 34490.8750 -149057.9792 301.2174 -183548.8542 -148967.4106 299.8589 113.6896 145.1094 557245.5361 9.9953 9.8086 LDB: ============= START OF LOAD BALANCING ============== 3661.84 LDB: ============== END OF LOAD BALANCING =============== 3661.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3661.84 LDB: ============= START OF LOAD BALANCING ============== 3662.14 LDB: Largest compute 4800 load 0.027003 is 22.9% of average load 0.117872 LDB: Average compute 0.001741 is 1.5% of average load 0.117872 LDB: TIME 3662.14 LOAD: AVG 0.117872 MAX 0.209921 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.637 MB LDB: TIME 3662.14 LOAD: AVG 0.117872 MAX 0.209921 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.707 MB LDB: TIME 3662.14 LOAD: AVG 0.117872 MAX 0.209921 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.707 MB LDB: ============== END OF LOAD BALANCING =============== 3662.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3662.15 PRESSURE: 1216400 -84.901 86.4797 131.2 86.4797 -63.258 -45.7982 131.199 -45.7982 -410.23 GPRESSURE: 1216400 -63.3605 -25.9611 141.617 103.867 -79.2697 -112.687 73.5203 7.51057 -320.34 PRESSAVG: 1216400 -44.6769 -0.847999 -6.2953 -0.848058 -4.4237 -43.618 -6.29527 -43.6179 32.0701 GPRESSAVG: 1216400 -44.5326 -1.98811 -7.01658 -0.507057 -4.54657 -45.1306 -7.96065 -42.1081 32.5097 TIMING: 1216400 CPU: 3658.93, 0.00305929/step Wall: 3658.93, 0.00305929/step, 3.21531 hours remaining, 207.269531 MB of memory in use. ENERGY: 1216400 802.1246 2061.8035 1945.8248 115.5468 -206325.0152 17805.9791 0.0000 0.0000 34595.3970 -148998.3393 302.1302 -183593.7363 -148890.6131 300.2124 -186.1297 -154.3235 557881.1152 -5.6768 -5.5232 PRESSURE: 1216600 -78.171 30.1189 -36.9263 30.1182 -39.0071 57.7128 -36.9267 57.7136 133.883 GPRESSURE: 1216600 -12.7026 42.6896 -4.59794 34.6886 28.0392 118.451 -101.11 13.2384 96.3749 PRESSAVG: 1216600 45.8237 -34.8338 16.337 -34.8338 -70.5187 28.4721 16.337 28.4721 2.77609 GPRESSAVG: 1216600 45.405 -33.2739 16.2889 -37.5807 -69.8787 27.3967 15.3293 28.6353 2.64503 TIMING: 1216600 CPU: 3659.52, 0.00294889/step Wall: 3659.52, 0.00294889/step, 3.09912 hours remaining, 207.468750 MB of memory in use. ENERGY: 1216600 732.7938 2083.4603 1957.9945 116.3668 -206214.2045 17866.7183 0.0000 0.0000 34280.3528 -149176.5181 299.3788 -183456.8709 -149082.4008 299.6123 5.5683 37.2371 557514.4126 -7.3063 -7.2762 PRESSURE: 1216800 -207.755 -198.53 -4.69246 -198.529 65.2784 -117.813 -4.69187 -117.813 48.7555 GPRESSURE: 1216800 -106.6 -165.519 20.3535 -172.084 83.2596 -63.178 43.9306 -85.4067 27.7758 PRESSAVG: 1216800 18.0765 -87.3955 -8.90091 -87.3955 -52.4032 43.3517 -8.90094 43.3517 12.9066 GPRESSAVG: 1216800 17.3078 -87.6588 -9.59441 -86.8553 -53.0753 45.3745 -8.64667 42.3645 13.6494 TIMING: 1216800 CPU: 3660.12, 0.00297296/step Wall: 3660.12, 0.00297296/step, 3.12425 hours remaining, 207.468750 MB of memory in use. ENERGY: 1216800 758.5855 2081.2542 1919.1030 107.8663 -206422.3230 17901.9461 0.0000 0.0000 34323.2494 -149330.3186 299.7535 -183653.5680 -149232.9132 299.0724 -31.2402 1.4783 557290.6189 -7.1400 -7.3727 PRESSURE: 1217000 -53.4376 56.889 -30.2328 56.888 -294.412 -116.356 -30.2339 -116.356 -69.3146 GPRESSURE: 1217000 8.26027 141.037 16.8296 5.83852 -269.173 -34.676 38.2084 -131.045 -43.6315 PRESSAVG: 1217000 1.92747 10.568 -3.18801 10.5679 -8.35261 -42.0697 -3.18802 -42.0696 23.8639 GPRESSAVG: 1217000 2.76239 10.9667 -1.82316 11.1973 -8.86406 -41.9568 -2.49565 -41.1526 23.1874 TIMING: 1217000 CPU: 3660.71, 0.00298311/step Wall: 3660.71, 0.00298311/step, 3.13475 hours remaining, 207.468750 MB of memory in use. ENERGY: 1217000 706.2581 2093.0068 1945.3596 132.3574 -206102.7455 17707.3401 0.0000 0.0000 34380.4629 -149137.9607 300.2531 -183518.4236 -149049.3406 300.2310 -139.0548 -101.5146 559971.9918 5.8129 5.6953 PRESSURE: 1217200 -74.1464 46.3602 -170.382 46.3589 148.96 21.3532 -170.381 21.3533 19.3919 GPRESSURE: 1217200 -33.3496 70.5525 -78.1102 47.3992 151.267 -19.6193 -145.184 -5.18734 78.238 PRESSAVG: 1217200 33.5515 12.996 -36.7388 12.996 -15.3167 -13.3029 -36.7389 -13.3029 -10.5725 GPRESSAVG: 1217200 33.2445 12.386 -36.8165 12.9843 -16.0685 -14.1477 -37.8875 -13.902 -9.69226 TIMING: 1217200 CPU: 3661.31, 0.00298983/step Wall: 3661.31, 0.00298983/step, 3.14165 hours remaining, 207.468750 MB of memory in use. ENERGY: 1217200 781.1647 2047.6901 1921.9197 132.3962 -206635.1335 18161.5114 0.0000 0.0000 34378.2913 -149212.1601 300.2342 -183590.4514 -149110.2750 299.6089 31.4017 65.3851 558726.0537 2.5541 2.4946 PRESSURE: 1217400 134.173 144.659 -18.1482 144.66 -2.23523 -74.6804 -18.1492 -74.6808 10.3318 GPRESSURE: 1217400 215.235 180.468 -25.2641 110.431 28.8019 -60.327 -63.1296 -86.9034 -15.8537 PRESSAVG: 1217400 -38.6184 41.849 -45.6515 41.849 18.9606 -33.3935 -45.6514 -33.3936 32.6858 GPRESSAVG: 1217400 -38.7969 40.1516 -45.8061 42.1614 21.4706 -33.556 -44.8551 -32.53 29.9986 TIMING: 1217400 CPU: 3661.91, 0.00301005/step Wall: 3661.91, 0.00301005/step, 3.16272 hours remaining, 207.468750 MB of memory in use. ENERGY: 1217400 748.3871 2122.3531 1933.2388 99.2629 -206269.9077 18012.9450 0.0000 0.0000 34071.4128 -149282.3079 297.5541 -183353.7208 -149188.3732 299.1874 47.4233 76.0609 557804.6231 4.3427 4.2241 PRESSURE: 1217600 162.576 7.51082 27.7569 7.51108 -23.3415 91.9844 27.7577 91.9834 -163.593 GPRESSURE: 1217600 204.401 -51.2339 56.3419 62.1454 -27.7927 183.141 69.4999 64.9032 -100.519 PRESSAVG: 1217600 36.6221 24.0058 -10.6278 24.0058 -89.0095 -50.9649 -10.6279 -50.965 38.1014 GPRESSAVG: 1217600 38.1468 25.1979 -9.79058 23.2295 -91.9813 -51.079 -9.70573 -51.4065 39.8158 TIMING: 1217600 CPU: 3662.51, 0.00298656/step Wall: 3662.51, 0.00298656/step, 3.13788 hours remaining, 207.468750 MB of memory in use. ENERGY: 1217600 733.3672 2089.3195 1913.9715 107.7211 -206212.6753 17818.2211 0.0000 0.0000 34216.7199 -149333.3548 298.8231 -183550.0747 -149241.2171 298.6629 -8.1194 25.3633 557331.8707 -4.7620 -4.6729 PRESSURE: 1217800 -40.802 24.0086 -54.4949 24.0071 -43.7654 89.5305 -54.4959 89.5302 -72.5282 GPRESSURE: 1217800 0.92129 -48.7662 -30.4155 69.7839 11.794 155.081 -54.3815 53.9627 -71.5701 PRESSAVG: 1217800 -5.43329 59.2366 8.69343 59.2367 -5.36726 4.6529 8.69347 4.65305 57.1324 GPRESSAVG: 1217800 -5.64913 58.6763 9.41583 58.8645 -5.05417 5.12029 6.53928 4.80289 57.2319 TIMING: 1217800 CPU: 3663.11, 0.00299164/step Wall: 3663.11, 0.00299164/step, 3.14305 hours remaining, 207.468750 MB of memory in use. ENERGY: 1217800 710.0322 2080.6592 1952.3876 117.0424 -205994.2735 17556.3056 0.0000 0.0000 34391.2442 -149186.6023 300.3473 -183577.8465 -149079.4945 299.0897 -52.3652 -19.6182 558955.7029 15.4439 15.5095 PRESSURE: 1218000 -69.0814 147.088 203.535 147.089 78.8497 40.7113 203.534 40.7123 -9.16098 GPRESSURE: 1218000 13.5626 79.6646 105.14 136.542 42.6492 53.4259 157.233 38.2796 41.1603 PRESSAVG: 1218000 8.74454 32.8186 1.12369 32.8188 12.6 53.6712 1.12365 53.6712 -39.1675 GPRESSAVG: 1218000 7.57736 31.4924 -0.49058 33.9732 13.8348 54.5623 2.83673 52.8031 -39.775 TIMING: 1218000 CPU: 3663.71, 0.00300921/step Wall: 3663.71, 0.00300921/step, 3.16134 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: 1218000 744.7483 2058.7967 1949.3023 108.6359 -206020.2097 17855.0316 0.0000 0.0000 34171.9256 -149131.7693 298.4319 -183303.6949 -149041.1572 299.2389 0.2024 32.4573 557754.8986 -5.9410 -6.1209 PRESSURE: 1218200 -1.2724 -22.2216 -41.0271 -22.222 53.8699 126.125 -41.0281 126.125 30.3323 GPRESSURE: 1218200 27.7538 -65.9045 -81.545 23.9327 105.722 107.06 31.1586 202.502 57.8852 PRESSAVG: 1218200 60.9698 8.64838 26.224 8.64839 -15.5155 -2.16428 26.2239 -2.16425 -59.0259 GPRESSAVG: 1218200 60.6634 12.0593 26.7696 8.09104 -15.7669 -4.39022 26.9435 1.06901 -58.9457 TIMING: 1218200 CPU: 3664.32, 0.00304339/step Wall: 3664.32, 0.00304339/step, 3.19708 hours remaining, 207.468750 MB of memory in use. ENERGY: 1218200 754.9023 2122.7635 1935.0944 104.5272 -206051.3727 17677.6691 0.0000 0.0000 34272.8896 -149183.5266 299.3137 -183456.4162 -149094.1273 299.2730 27.6433 63.7871 557145.6191 -4.5239 -4.6831 PRESSURE: 1218400 39.8418 -4.54865 -92.6892 -4.54977 -113.222 -173.177 -92.6893 -173.176 60.7768 GPRESSURE: 1218400 5.31171 -95.4371 -100.293 39.2936 -36.5714 -232.873 -145.361 -140.03 110.322 PRESSAVG: 1218400 -64.5794 -18.6951 -5.59836 -18.695 48.7677 -8.9975 -5.59847 -8.99763 20.8258 GPRESSAVG: 1218400 -64.4185 -22.739 -4.85878 -17.7332 49.3869 -6.01963 -5.47295 -10.6696 19.9623 TIMING: 1218400 CPU: 3664.93, 0.00303805/step Wall: 3664.93, 0.00303805/step, 3.1913 hours remaining, 207.468750 MB of memory in use. ENERGY: 1218400 734.9624 2119.5205 1935.4871 103.9269 -205999.6770 17677.6761 0.0000 0.0000 34339.7663 -149088.3376 299.8977 -183428.1039 -148987.2860 300.4565 -4.2012 26.3541 556775.4013 1.6714 1.6436 PRESSURE: 1218600 190.695 215.404 -54.2464 215.405 121.516 57.4461 -54.2462 57.4466 -42.4802 GPRESSURE: 1218600 246.507 271.397 -74.8878 162.786 133.16 41.58 -41.1679 -22.2895 -6.83727 PRESSAVG: 1218600 11.793 0.541567 -68.3707 0.541565 -5.76236 22.3496 -68.3707 22.3496 -30.251 GPRESSAVG: 1218600 11.9485 2.40331 -70.3381 1.00337 -6.68044 20.8757 -69.6697 20.6944 -29.4246 TIMING: 1218600 CPU: 3665.53, 0.0030135/step Wall: 3665.53, 0.0030135/step, 3.16535 hours remaining, 207.468750 MB of memory in use. ENERGY: 1218600 746.6600 2142.1998 1950.3240 106.8205 -205936.9507 17668.5275 0.0000 0.0000 34225.7623 -149096.6565 298.9021 -183322.4188 -149007.6878 299.5588 89.9102 124.2765 555323.1651 -8.0734 -8.0522 PRESSURE: 1218800 -380.124 6.07346 36.4548 6.07319 -95.651 80.3123 36.4535 80.3122 195.848 GPRESSURE: 1218800 -378.795 -55.2072 25.2998 21.7909 10.0882 48.7061 8.09694 182.516 177.99 PRESSAVG: 1218800 -1.88514 26.7304 -69.825 26.7305 24.9542 -26.2782 -69.825 -26.2782 3.76972 GPRESSAVG: 1218800 -1.52977 25.2634 -70.1102 25.569 25.5705 -27.577 -66.8189 -25.7902 2.81447 TIMING: 1218800 CPU: 3666.13, 0.00300489/step Wall: 3666.13, 0.00300489/step, 3.15614 hours remaining, 207.468750 MB of memory in use. ENERGY: 1218800 765.0537 2106.0021 1943.8115 118.5813 -206101.3478 17822.9494 0.0000 0.0000 34127.2401 -149217.7097 298.0417 -183344.9498 -149121.3750 299.8558 -93.3088 -63.5723 558063.5409 8.9463 8.9517 PRESSURE: 1219000 -283.928 -128.676 32.6757 -128.675 134.808 114.88 32.6766 114.879 -339.053 GPRESSURE: 1219000 -235.814 -78.9194 54.8519 -135.134 199.606 83.9275 17.3895 168.692 -333.555 PRESSAVG: 1219000 14.1623 1.81811 -21.1174 1.81804 -51.9058 44.083 -21.1172 44.083 16.4115 GPRESSAVG: 1219000 14.1351 4.83273 -20.547 0.900425 -51.4604 44.8384 -21.8454 44.6553 16.0342 TIMING: 1219000 CPU: 3666.72, 0.00297201/step Wall: 3666.72, 0.00297201/step, 3.12144 hours remaining, 207.468750 MB of memory in use. ENERGY: 1219000 724.7025 2058.5983 1913.9697 119.7110 -206136.9638 17667.4754 0.0000 0.0000 34332.9376 -149319.5692 299.8381 -183652.5068 -149218.3075 298.7018 -162.7241 -123.2540 558060.8050 -7.1107 -7.0971 PRESSURE: 1219200 84.9959 121.702 -88.1472 121.702 -227.89 -71.4835 -88.1459 -71.4854 -100.738 GPRESSURE: 1219200 144.641 -23.9003 -121.063 179.694 -204.297 -109.711 -61.4181 -82.0212 -86.3588 PRESSAVG: 1219200 23.8733 49.1297 -7.78117 49.1296 16.0299 -15.9442 -7.7812 -15.9442 -68.2804 GPRESSAVG: 1219200 23.752 47.6131 -6.68751 49.5073 15.5324 -15.0384 -8.49888 -16.2291 -66.827 TIMING: 1219200 CPU: 3667.32, 0.00298778/step Wall: 3667.32, 0.00298778/step, 3.13784 hours remaining, 207.468750 MB of memory in use. ENERGY: 1219200 739.5730 2069.9873 1937.9680 127.3186 -206116.8079 17779.6015 0.0000 0.0000 34157.1759 -149305.1835 298.3031 -183462.3594 -149204.7419 298.2166 -81.2106 -48.6714 558910.0926 -9.4590 -9.1809 PRESSURE: 1219400 -48.6286 -64.934 117.987 -64.9353 -5.00764 109.662 117.986 109.662 -34.0851 GPRESSURE: 1219400 -25.5228 -70.5984 155.57 -57.9784 58.7943 68.5049 187.092 128.184 -20.9631 PRESSAVG: 1219400 91.7898 14.3943 -7.80538 14.3944 -20.6971 61.8897 -7.8055 61.8897 -14.4798 GPRESSAVG: 1219400 91.5085 15.666 -8.02811 13.775 -20.4533 60.8201 -7.4931 62.7077 -14.467 TIMING: 1219400 CPU: 3667.92, 0.00301081/step Wall: 3667.92, 0.00301081/step, 3.16185 hours remaining, 207.468750 MB of memory in use. ENERGY: 1219400 737.2626 2094.3449 1947.2820 120.0835 -206698.9499 18012.4098 0.0000 0.0000 34369.5459 -149418.0212 300.1578 -183787.5672 -149322.1281 298.2575 -29.2404 4.1028 558933.8276 18.8710 18.8627 PRESSURE: 1219600 -55.7178 -38.0053 -110.88 -38.0051 -154.251 -123.631 -110.88 -123.633 28.0674 GPRESSURE: 1219600 -58.7532 0.644855 -79.954 -71.6523 -137.661 -104.434 -108.646 -41.1568 114.055 PRESSAVG: 1219600 -27.7732 -54.6216 56.672 -54.6215 -64.1827 -6.67488 56.672 -6.67492 75.5844 GPRESSAVG: 1219600 -27.5083 -54.8443 54.6978 -54.484 -63.8315 -7.41803 55.9398 -4.58451 75.365 TIMING: 1219600 CPU: 3668.52, 0.00300023/step Wall: 3668.52, 0.00300023/step, 3.15058 hours remaining, 207.468750 MB of memory in use. ENERGY: 1219600 760.1491 2047.0590 1923.4138 104.8302 -206458.2878 17883.3886 0.0000 0.0000 34340.3132 -149399.1339 299.9025 -183739.4470 -149303.0952 298.4112 -60.6339 -27.4532 558369.2547 -5.4572 -5.3250 PRESSURE: 1219800 259.101 -238.768 206.454 -238.768 -52.895 77.2522 206.454 77.2513 320.29 GPRESSURE: 1219800 290.433 -238.997 205.855 -257.349 -20.865 14.1883 184.381 74.3423 371.733 PRESSAVG: 1219800 8.6935 -33.3629 -28.0238 -33.3629 -78.3804 -10.5348 -28.0239 -10.5349 49.1625 GPRESSAVG: 1219800 8.36304 -35.2453 -27.0384 -32.2685 -77.5762 -10.0318 -28.7822 -11.8443 48.9493 TIMING: 1219800 CPU: 3669.12, 0.00299419/step Wall: 3669.12, 0.00299419/step, 3.14406 hours remaining, 207.468750 MB of memory in use. ENERGY: 1219800 706.6767 2121.6772 1960.5114 120.1106 -206712.1782 18040.4845 0.0000 0.0000 34207.9371 -149554.7807 298.7464 -183762.7178 -149463.6329 298.4774 175.4985 213.7667 556178.8682 -6.8415 -6.7546 PRESSURE: 1220000 144.597 95.3209 101.728 95.3214 84.9049 7.46247 101.727 7.46158 -1.58651 GPRESSURE: 1220000 169.531 21.2496 60.3792 167.647 86.3244 0.0807197 50.0351 95.7447 56.8241 PRESSAVG: 1220000 21.4356 15.3091 -37.7696 15.3091 -30.1053 24.7443 -37.7696 24.7443 13.7495 GPRESSAVG: 1220000 22.5891 14.9124 -37.7253 16.9161 -31.2467 24.9933 -37.4134 23.3986 13.4635 TIMING: 1220000 CPU: 3669.72, 0.00300032/step Wall: 3669.72, 0.00300032/step, 3.15033 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: 1220000 758.9567 2096.1863 1962.4173 113.4264 -206679.6179 18039.2554 0.0000 0.0000 34158.2965 -149551.0793 298.3129 -183709.3758 -149460.6438 299.0027 75.9716 104.2265 555183.7707 1.6933 1.6020 PRESSURE: 1220200 -91.4281 20.5711 -80.6938 20.571 89.5072 54.212 -80.6952 54.2094 -79.3224 GPRESSURE: 1220200 -58.6712 -17.3468 -115.449 99.7175 119.695 29.0921 -130.446 86.7461 -57.3124 PRESSAVG: 1220200 -45.5774 13.3399 -57.8254 13.3399 36.6541 33.6527 -57.8254 33.6527 13.652 GPRESSAVG: 1220200 -45.871 13.6437 -55.5096 11.1407 35.4138 33.1143 -59.227 35.1242 15.6388 TIMING: 1220200 CPU: 3670.32, 0.00299579/step Wall: 3670.32, 0.00299579/step, 3.14542 hours remaining, 207.468750 MB of memory in use. ENERGY: 1220200 768.8186 2046.3890 1938.3216 105.4204 -206336.7960 17941.7714 0.0000 0.0000 34226.3524 -149309.7227 298.9072 -183536.0751 -149219.0953 298.5581 -27.0811 1.2372 557524.7229 1.5762 1.7272 LDB: ============= START OF LOAD BALANCING ============== 3673.84 LDB: ============== END OF LOAD BALANCING =============== 3673.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3673.84 LDB: ============= START OF LOAD BALANCING ============== 3674.15 LDB: Largest compute 4800 load 0.027251 is 23.1% of average load 0.117860 LDB: Average compute 0.001750 is 1.5% of average load 0.117860 LDB: TIME 3674.15 LOAD: AVG 0.11786 MAX 0.214878 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.039 MB LDB: TIME 3674.15 LOAD: AVG 0.11786 MAX 0.214878 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.242 MB LDB: TIME 3674.15 LOAD: AVG 0.11786 MAX 0.214878 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.242 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3674.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3674.16 PRESSURE: 1220400 38.8044 37.1636 -24.3097 37.1634 -147.765 122.454 -24.3087 122.454 144.465 GPRESSURE: 1220400 81.313 87.6274 -54.5257 17.9035 -108.687 124.426 -23.0966 131.322 178.19 PRESSAVG: 1220400 56.7881 64.8096 -36.954 64.8096 -77.9198 0.57189 -36.954 0.571892 54.1623 GPRESSAVG: 1220400 55.6651 66.6111 -41.3233 64.4664 -75.5754 1.35468 -34.6386 -0.590961 53.1953 TIMING: 1220400 CPU: 3670.94, 0.00308476/step Wall: 3670.94, 0.00308476/step, 3.23865 hours remaining, 206.593750 MB of memory in use. ENERGY: 1220400 713.1348 2065.3625 1951.0972 115.8837 -206156.9647 17810.8537 0.0000 0.0000 34354.4608 -149146.1721 300.0261 -183500.6329 -149050.6485 299.1939 11.8347 50.2723 557898.2321 11.0102 11.0950 PRESSURE: 1220600 30.1146 43.2908 1.48147 43.2916 -100.854 111.056 1.48174 111.057 -51.4681 GPRESSURE: 1220600 24.3474 37.016 2.17276 -31.9227 -44.8462 113.637 94.152 124.248 -9.91619 PRESSAVG: 1220600 6.30358 52.1289 -8.58702 52.1289 -50.8814 -11.1246 -8.58708 -11.1246 30.4329 GPRESSAVG: 1220600 7.56222 50.3221 -7.49971 53.7917 -52.5955 -12.8677 -8.9249 -10.9322 30.5517 TIMING: 1220600 CPU: 3671.55, 0.00303666/step Wall: 3671.55, 0.00303666/step, 3.18798 hours remaining, 206.593750 MB of memory in use. ENERGY: 1220600 768.5998 2121.3852 1921.2580 123.3248 -206078.6537 17873.8143 0.0000 0.0000 34171.0433 -149099.2282 298.4242 -183270.2715 -149004.0142 299.0286 -40.7359 -10.1383 558447.2387 -4.7150 -4.8272 PRESSURE: 1220800 -280.054 -78.6168 -6.28556 -78.6163 -242.031 38.5417 -6.28393 38.5411 -97.6644 GPRESSURE: 1220800 -262.458 -120.328 30.0345 -107.082 -191.505 24.0865 38.4346 -40.8472 -58.5812 PRESSAVG: 1220800 93.0884 -21.1789 55.2619 -21.1789 -32.8427 19.225 55.262 19.2248 -44.854 GPRESSAVG: 1220800 91.5177 -20.1925 56.3553 -20.3802 -32.0144 20.3876 55.3321 18.0344 -44.3525 TIMING: 1220800 CPU: 3672.15, 0.00299076/step Wall: 3672.15, 0.00299076/step, 3.13963 hours remaining, 206.593750 MB of memory in use. ENERGY: 1220800 789.7586 2087.2211 1957.6448 116.7223 -206120.5954 17721.6385 0.0000 0.0000 34323.9743 -149123.6358 299.7598 -183447.6100 -149028.4641 299.3577 -206.5829 -170.8481 558579.6788 5.1305 5.0503 PRESSURE: 1221000 -83.459 6.76426 -184.626 6.76322 144.397 41.3691 -184.626 41.3692 185.665 GPRESSURE: 1221000 -2.96239 80.6631 -159.082 -9.72786 161.984 -2.35225 -167.953 72.9395 174.533 PRESSAVG: 1221000 -29.1984 15.0648 -34.7468 15.0647 25.6893 -20.883 -34.7468 -20.8829 -22.2864 GPRESSAVG: 1221000 -28.1357 17.1881 -35.3786 12.4326 24.729 -19.4148 -35.2127 -18.4834 -22.2364 TIMING: 1221000 CPU: 3672.75, 0.00300015/step Wall: 3672.75, 0.00300015/step, 3.14933 hours remaining, 206.593750 MB of memory in use. ENERGY: 1221000 702.6335 2083.2837 1962.7625 117.2116 -205977.6428 17706.1464 0.0000 0.0000 34246.0131 -149159.5920 299.0790 -183405.6052 -149065.0442 298.4086 82.2010 111.1848 556890.1992 -8.5985 -8.5477 PRESSURE: 1221200 210.156 98.5622 -27.5065 98.5614 348.355 79.495 -27.5081 79.4959 -213.075 GPRESSURE: 1221200 224.475 73.8515 -33.589 71.3432 327.455 97.4739 6.06479 55.2305 -103.481 PRESSAVG: 1221200 48.0668 37.3941 -46.0271 37.394 -30.694 -8.67393 -46.0271 -8.674 -30.4106 GPRESSAVG: 1221200 49.4118 37.7394 -43.6395 36.4109 -31.3464 -10.3911 -46.8026 -9.41334 -30.7077 TIMING: 1221200 CPU: 3673.34, 0.00297221/step Wall: 3673.34, 0.00297221/step, 3.11983 hours remaining, 206.593750 MB of memory in use. ENERGY: 1221200 750.1956 2053.6385 1959.4920 108.4840 -206441.8709 17948.2528 0.0000 0.0000 34460.6549 -149161.1531 300.9535 -183621.8079 -149066.5536 299.4527 115.1454 149.4828 557586.2226 -4.3459 -4.2141 PRESSURE: 1221400 218.107 -107.544 18.0926 -107.542 277.627 -97.2325 18.092 -97.2326 -116.537 GPRESSURE: 1221400 167.985 -129.178 32.4141 -130.453 328.808 -49.5483 3.31331 -117.288 -19.8703 PRESSAVG: 1221400 34.8948 28.9601 -20.8955 28.9601 63.7618 51.378 -20.8954 51.3779 -20.5412 GPRESSAVG: 1221400 33.5161 25.9606 -21.4184 30.2628 65.5668 52.7783 -19.9064 50.576 -20.725 TIMING: 1221400 CPU: 3673.94, 0.00298842/step Wall: 3673.94, 0.00298842/step, 3.13668 hours remaining, 206.593750 MB of memory in use. ENERGY: 1221400 734.4214 2058.3829 1981.4853 117.4054 -206337.9915 18036.4246 0.0000 0.0000 34277.3423 -149132.5297 299.3526 -183409.8720 -149042.3165 299.4315 126.3989 158.9742 557752.4608 26.0385 26.1193 PRESSURE: 1221600 -18.0811 -68.1905 -145.804 -68.1908 16.7013 -229.613 -145.803 -229.613 56.7649 GPRESSURE: 1221600 41.7148 28.0226 -158.691 -83.5011 47.4097 -229.029 -202.006 -171.951 58.9949 PRESSAVG: 1221600 31.4921 7.78113 -25.3175 7.78112 10.6214 1.64642 -25.3175 1.64641 -44.1065 GPRESSAVG: 1221600 31.7655 7.4697 -25.3782 9.67316 8.67989 -0.685564 -25.9794 2.80145 -42.239 TIMING: 1221600 CPU: 3674.54, 0.00301597/step Wall: 3674.54, 0.00301597/step, 3.16543 hours remaining, 206.593750 MB of memory in use. ENERGY: 1221600 764.0860 2020.8558 1987.6958 103.8333 -206317.1132 17947.0336 0.0000 0.0000 34367.7437 -149125.8651 300.1421 -183493.6088 -149025.3912 299.3665 18.4617 49.3732 557680.8489 -0.6643 -0.5979 PRESSURE: 1221800 166.214 92.7265 86.6901 92.7271 -242.88 -39.3187 86.69 -39.3194 53.6137 GPRESSURE: 1221800 160.863 84.6565 64.4547 83.7001 -175.382 71.0567 110.801 -203.185 94.2063 PRESSAVG: 1221800 60.9653 -45.607 -3.3931 -45.6071 -90.1404 6.61567 -3.39319 6.61578 -5.91192 GPRESSAVG: 1221800 60.3819 -45.408 -4.00071 -45.4368 -89.4162 9.16956 -3.71708 4.02973 -6.74261 TIMING: 1221800 CPU: 3675.13, 0.00296206/step Wall: 3675.13, 0.00296206/step, 3.10868 hours remaining, 206.593750 MB of memory in use. ENERGY: 1221800 727.3959 2017.0167 1949.8937 108.7971 -206214.9275 17778.8993 0.0000 0.0000 34308.6848 -149324.2400 299.6263 -183632.9248 -149229.5264 299.7179 -7.6840 26.5624 557550.5628 -11.6957 -11.9256 PRESSURE: 1222000 9.65745 163.716 -23.025 163.714 -81.1147 213.984 -23.0248 213.983 149.393 GPRESSURE: 1222000 64.7634 252.178 -147.177 157.877 -97.9201 204.67 123.429 232.886 196.675 PRESSAVG: 1222000 63.2061 91.6839 37.7689 91.684 -49.1127 -41.529 37.7688 -41.5291 34.8105 GPRESSAVG: 1222000 63.8433 93.1926 36.926 89.9253 -48.3097 -42.9881 39.1147 -39.0346 33.0239 TIMING: 1222000 CPU: 3675.73, 0.00297075/step Wall: 3675.73, 0.00297075/step, 3.11764 hours remaining, 206.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1222000 719.3487 2073.8235 1951.1793 118.6912 -206268.5900 17938.4417 0.0000 0.0000 34240.3537 -149226.7519 299.0295 -183467.1056 -149125.1211 299.0316 25.9787 54.5063 556471.4559 16.3013 16.1858 PRESSURE: 1222200 126.455 -90.9055 27.056 -90.906 -261.84 -27.9066 27.0572 -27.9073 84.5488 GPRESSURE: 1222200 107.403 -91.9665 9.32403 -43.1447 -231.665 -62.5206 74.2019 -32.968 147.06 PRESSAVG: 1222200 35.6398 -25.7594 -15.6313 -25.7593 -16.1051 -6.76403 -15.6313 -6.76412 -54.1642 GPRESSAVG: 1222200 35.7342 -27.5644 -17.2127 -24.3833 -16.5087 -8.20682 -16.401 -5.6506 -53.7634 TIMING: 1222200 CPU: 3676.33, 0.0029961/step Wall: 3676.33, 0.0029961/step, 3.14407 hours remaining, 206.593750 MB of memory in use. ENERGY: 1222200 754.1244 2059.3963 1988.3738 119.3005 -205878.5962 17636.1183 0.0000 0.0000 34129.2197 -149192.0632 298.0590 -183321.2829 -149099.8400 299.1715 -16.9454 7.5994 557038.7546 -11.5432 -11.5126 PRESSURE: 1222400 -18.1494 6.32667 -28.0023 6.32594 135.496 90.0891 -28.0019 90.0884 -129.599 GPRESSURE: 1222400 18.7407 42.5173 -23.2299 -17.8883 127.213 42.6094 -73.4103 58.2751 -47.5937 PRESSAVG: 1222400 -7.34705 14.7913 34.6888 14.7913 7.20264 5.54436 34.6888 5.54443 -13.3238 GPRESSAVG: 1222400 -5.60306 14.8292 37.2974 16.284 6.30711 5.33023 31.7811 2.58701 -13.9105 TIMING: 1222400 CPU: 3676.93, 0.00300771/step Wall: 3676.93, 0.00300771/step, 3.15609 hours remaining, 206.593750 MB of memory in use. ENERGY: 1222400 691.9227 2074.3443 1942.2348 113.7003 -205852.1386 17548.3827 0.0000 0.0000 34296.3118 -149185.2420 299.5182 -183481.5538 -149083.0364 298.8121 -4.0842 32.7866 556715.6928 -4.4894 -4.4021 PRESSURE: 1222600 -196.214 9.31614 -36.0317 9.31679 -83.3731 93.7765 -36.0306 93.7758 -260.349 GPRESSURE: 1222600 -161.851 -0.15841 -95.9937 -4.69905 -43.4284 61.9862 -128.393 76.9402 -246.127 PRESSAVG: 1222600 84.0122 -32.7969 -3.02604 -32.7968 3.56118 41.2114 -3.02609 41.2114 -11.512 GPRESSAVG: 1222600 84.0975 -31.575 -4.80063 -36.5123 3.52203 45.0031 -0.785336 42.453 -11.0018 TIMING: 1222600 CPU: 3677.53, 0.00301186/step Wall: 3677.53, 0.00301186/step, 3.16027 hours remaining, 206.593750 MB of memory in use. ENERGY: 1222600 726.2748 2090.5848 1952.0262 114.7912 -205835.4416 17365.9901 0.0000 0.0000 34284.5474 -149301.2271 299.4155 -183585.7745 -149202.0608 299.0271 -179.9789 -150.4688 557706.5606 25.3538 25.5392 PRESSURE: 1222800 -79.744 -97.3902 13.1919 -97.3896 107.473 159.373 13.1922 159.373 1.51321 GPRESSURE: 1222800 -82.407 -126.435 2.37863 -22.4163 186.027 204.629 -28.9716 119.761 16.8723 PRESSAVG: 1222800 -29.8656 -51.6534 -8.20101 -51.6535 30.6042 8.04197 -8.20096 8.04199 -17.4336 GPRESSAVG: 1222800 -30.8802 -52.8999 -7.87612 -48.7516 31.3603 7.58625 -8.59726 6.6236 -17.1377 TIMING: 1222800 CPU: 3678.13, 0.00298733/step Wall: 3678.13, 0.00298733/step, 3.13437 hours remaining, 206.593750 MB of memory in use. ENERGY: 1222800 747.8957 2059.5019 1971.7948 103.2841 -206798.9946 18115.6199 0.0000 0.0000 34365.3763 -149435.5218 300.1214 -183800.8981 -149337.3931 298.7513 9.7473 40.1640 557228.1517 -5.5650 -5.5525 PRESSURE: 1223000 -29.4356 -148.311 -49.9368 -148.311 -68.0338 -44.9306 -49.9378 -44.9311 -107.294 GPRESSURE: 1223000 -34.6405 -51.721 -118.622 -156.741 -31.5538 24.7825 10.2989 -53.4486 -45.8408 PRESSAVG: 1223000 7.94385 -65.4446 -6.18915 -65.4446 -30.8896 12.3118 -6.18908 12.3117 13.851 GPRESSAVG: 1223000 7.41031 -64.7594 -4.90914 -66.8113 -30.6472 12.0569 -5.87015 11.2062 13.4753 TIMING: 1223000 CPU: 3678.72, 0.00295777/step Wall: 3678.72, 0.00295777/step, 3.1032 hours remaining, 206.593750 MB of memory in use. ENERGY: 1223000 752.6927 2099.5564 1953.1563 102.8622 -206605.5477 17968.0975 0.0000 0.0000 34145.4577 -149583.7250 298.2008 -183729.1827 -149486.0732 299.2058 -68.2545 -37.3450 557025.4096 -3.0316 -3.2539 PRESSURE: 1223200 -27.5235 -123.508 -200.155 -123.508 36.5288 86.3554 -200.157 86.355 -158.067 GPRESSURE: 1223200 29.682 -95.0019 -114.759 -101.112 55.3118 4.63513 -237.056 212.536 -136.004 PRESSAVG: 1223200 -0.648454 -94.4799 14.1571 -94.4799 -20.4754 44.8566 14.1571 44.8565 9.17016 GPRESSAVG: 1223200 -0.63342 -93.4898 13.9316 -95.5057 -21.6644 44.3081 14.7939 45.6363 10.1994 TIMING: 1223200 CPU: 3679.32, 0.00298879/step Wall: 3679.32, 0.00298879/step, 3.13557 hours remaining, 206.593750 MB of memory in use. ENERGY: 1223200 735.3717 2040.0745 1956.1746 115.4245 -205938.0604 17653.5431 0.0000 0.0000 34060.1762 -149377.2959 297.4560 -183437.4720 -149276.5644 297.8506 -49.6872 -17.0035 555752.9257 -3.9846 -4.0328 PRESSURE: 1223400 65.4043 -18.0067 101.36 -18.0081 -118.567 -1.60461 101.36 -1.60478 -38.4452 GPRESSURE: 1223400 68.2804 -9.0999 170.069 -35.533 -36.7615 19.1044 114.096 -58.6431 -27.4016 PRESSAVG: 1223400 41.1045 -27.4381 -25.2641 -27.4382 7.84347 19.3112 -25.2641 19.3112 -28.3232 GPRESSAVG: 1223400 41.5643 -28.3826 -25.7412 -26.7626 7.50622 20.0225 -24.5072 19.4451 -28.5236 TIMING: 1223400 CPU: 3679.91, 0.00297772/step Wall: 3679.91, 0.00297772/step, 3.12379 hours remaining, 206.593750 MB of memory in use. ENERGY: 1223400 747.1334 2116.3269 1938.3536 108.8021 -206271.2086 17907.9090 0.0000 0.0000 34155.2019 -149297.4817 298.2859 -183452.6836 -149211.1679 298.7703 -30.5359 1.3724 556681.4698 6.8749 6.8490 PRESSURE: 1223600 -124.94 -133.409 -101.611 -133.409 51.8851 -39.7001 -101.609 -39.6992 22.2109 GPRESSURE: 1223600 -107.855 -126.535 -50.8162 -48.8746 102.603 -50.1076 -138.616 -36.7114 34.8828 PRESSAVG: 1223600 18.1818 -10.367 7.79331 -10.367 24.2079 -22.1405 7.79323 -22.1404 -15.2513 GPRESSAVG: 1223600 17.597 -8.70812 8.78627 -8.06884 25.3984 -23.0066 6.43838 -22.2044 -15.7478 TIMING: 1223600 CPU: 3680.52, 0.0030251/step Wall: 3680.52, 0.0030251/step, 3.17333 hours remaining, 206.593750 MB of memory in use. ENERGY: 1223600 769.2814 2108.6805 1948.4551 105.0446 -206349.8953 17789.1391 0.0000 0.0000 34164.9268 -149464.3680 298.3708 -183629.2947 -149373.1732 298.5992 -16.9479 9.8770 558025.4093 9.0462 9.0825 PRESSURE: 1223800 -16.9086 -46.7781 -2.15093 -46.7805 -268.926 -24.4618 -2.1505 -24.4634 -465.424 GPRESSURE: 1223800 -62.4556 -150.313 48.2257 -77.5445 -211.027 6.88401 -47.1827 -1.48704 -375.36 PRESSAVG: 1223800 21.148 -53.6476 -33.6705 -53.6477 32.16 -4.15504 -33.6704 -4.15517 -16.8073 GPRESSAVG: 1223800 20.6145 -54.5881 -33.9466 -55.8095 31.622 -4.87397 -33.3242 -1.0797 -15.1381 TIMING: 1223800 CPU: 3681.12, 0.00299676/step Wall: 3681.12, 0.00299676/step, 3.14344 hours remaining, 206.593750 MB of memory in use. ENERGY: 1223800 745.3841 2074.0189 1938.8215 108.3290 -205648.2129 17256.2294 0.0000 0.0000 34193.9506 -149331.4795 298.6243 -183525.4301 -149225.4120 299.0334 -250.4196 -216.2811 557698.5312 12.1669 12.3661 PRESSURE: 1224000 -149.034 -158.157 82.5674 -158.157 -96.8296 -103.51 82.5674 -103.511 -128.194 GPRESSURE: 1224000 -137.405 -188.404 13.9286 -195.171 -30.0256 -51.1257 67.531 -111.745 -106.09 PRESSAVG: 1224000 49.6972 -27.8188 -12.8867 -27.8188 -9.50001 -7.25716 -12.8867 -7.25722 -72.8654 GPRESSAVG: 1224000 49.8209 -28.6628 -13.8526 -26.1026 -8.55981 -5.79099 -12.7815 -8.99809 -74.5534 TIMING: 1224000 CPU: 3681.72, 0.00301288/step Wall: 3681.72, 0.00301288/step, 3.16018 hours remaining, 206.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1224000 748.6886 2092.1694 1950.7427 101.0242 -205968.2507 17607.4565 0.0000 0.0000 34024.9727 -149443.1966 297.1485 -183468.1693 -149343.1732 298.0204 -124.6858 -91.1735 557369.6188 -10.8894 -11.0974 PRESSURE: 1224200 233.645 -47.6552 -24.1214 -47.6543 121.229 139.512 -24.1223 139.512 58.5203 GPRESSURE: 1224200 260.149 -52.847 -17.3978 -38.8971 218.701 87.3474 -9.20744 88.6389 45.3245 PRESSAVG: 1224200 60.5114 -21.0056 -2.45531 -21.0055 0.0493795 10.4386 -2.45528 10.4387 -79.3993 GPRESSAVG: 1224200 61.4315 -21.9757 -1.167 -20.7161 0.164472 11.2205 -2.60747 8.62933 -80.4075 TIMING: 1224200 CPU: 3682.32, 0.00301379/step Wall: 3682.32, 0.00301379/step, 3.16097 hours remaining, 206.593750 MB of memory in use. ENERGY: 1224200 767.5456 2084.9134 1958.8772 117.6753 -206697.4613 18115.2137 0.0000 0.0000 34255.2724 -149397.9636 299.1598 -183653.2360 -149304.1518 298.4134 137.7982 174.7250 556464.3711 -6.2795 -6.2705 LDB: ============= START OF LOAD BALANCING ============== 3685.84 LDB: ============== END OF LOAD BALANCING =============== 3685.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3685.84 LDB: ============= START OF LOAD BALANCING ============== 3686.14 LDB: Largest compute 4800 load 0.026277 is 22.3% of average load 0.117872 LDB: Average compute 0.001747 is 1.5% of average load 0.117872 LDB: TIME 3686.14 LOAD: AVG 0.117872 MAX 0.210137 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.105 MB LDB: TIME 3686.14 LOAD: AVG 0.117872 MAX 0.210137 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.34 MB LDB: TIME 3686.14 LOAD: AVG 0.117872 MAX 0.210137 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.34 MB LDB: ============== END OF LOAD BALANCING =============== 3686.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3686.15 PRESSURE: 1224400 181.014 -2.52382 59.4901 -2.52396 -16.0506 33.8418 59.4898 33.8423 -119.57 GPRESSURE: 1224400 263.694 14.764 94.5845 -48.1028 -20.3923 29.3258 83.9989 -37.3134 -100.408 PRESSAVG: 1224400 74.0968 19.5873 -25.7782 19.5873 8.33821 -30.8366 -25.7782 -30.8365 -74.1237 GPRESSAVG: 1224400 73.5426 21.871 -27.7844 18.27 7.28545 -30.2105 -24.4277 -30.225 -73.089 TIMING: 1224400 CPU: 3682.93, 0.00303678/step Wall: 3682.93, 0.00303678/step, 3.18491 hours remaining, 207.335938 MB of memory in use. ENERGY: 1224400 733.1336 2041.5039 1962.2577 105.0288 -206069.7684 17836.9864 0.0000 0.0000 34078.9697 -149311.8883 297.6201 -183390.8580 -149218.4637 298.5597 15.1309 47.6312 557136.4335 2.7704 2.5797 PRESSURE: 1224600 38.6312 -66.7812 121.719 -66.782 -125.794 -14.6336 121.72 -14.6346 -108.068 GPRESSURE: 1224600 92.1278 -68.9797 138.958 -112.026 -100.839 -28.5174 67.8469 -0.274159 -94.1183 PRESSAVG: 1224600 69.0338 -26.9127 46.6053 -26.9128 21.1779 3.43064 46.6053 3.43056 7.99165 GPRESSAVG: 1224600 68.8067 -27.7342 48.591 -27.1388 22.7671 -0.522855 45.2509 3.69185 7.54491 TIMING: 1224600 CPU: 3683.53, 0.0030129/step Wall: 3683.53, 0.0030129/step, 3.15969 hours remaining, 207.335938 MB of memory in use. ENERGY: 1224600 750.2407 2102.4021 1931.3538 120.0112 -206090.9381 17592.9124 0.0000 0.0000 34322.8697 -149271.1481 299.7502 -183594.0178 -149185.2684 299.1882 -65.0768 -34.2764 555324.3991 32.7345 33.0396 PRESSURE: 1224800 228.661 -202.999 69.6418 -202.999 233.087 -12.7243 69.6408 -12.7252 31.9068 GPRESSURE: 1224800 199.524 -205.273 83.7644 -222.658 262.178 -40.3844 42.7443 -21.0788 126.774 PRESSAVG: 1224800 11.0315 4.57132 -44.3699 4.57126 13.7424 -2.34698 -44.3699 -2.34697 6.68095 GPRESSAVG: 1224800 11.8237 5.54148 -45.1472 3.90901 12.0485 -1.91657 -43.6499 -2.15829 7.33855 TIMING: 1224800 CPU: 3684.13, 0.0029997/step Wall: 3684.13, 0.0029997/step, 3.14568 hours remaining, 207.335938 MB of memory in use. ENERGY: 1224800 715.7206 2090.7610 1960.8815 105.3772 -206411.2066 18010.7225 0.0000 0.0000 34277.2714 -149250.4724 299.3519 -183527.7438 -149152.8192 298.9973 164.5519 196.1585 556434.8022 10.4850 10.4036 PRESSURE: 1225000 -155.483 6.51267 -25.2961 6.51198 -129.998 168.471 -25.2968 168.471 -123.402 GPRESSURE: 1225000 -162.635 20.6459 10.0565 -21.5898 -70.0152 236.114 26.9488 155.914 -72.3677 PRESSAVG: 1225000 -0.517784 -29.1577 -7.35675 -29.1576 -1.15618 53.57 -7.35673 53.5699 13.1635 GPRESSAVG: 1225000 0.0214286 -30.2509 -6.36014 -29.5852 -1.89799 54.9456 -6.85105 51.3649 13.1854 TIMING: 1225000 CPU: 3684.73, 0.00297553/step Wall: 3684.73, 0.00297553/step, 3.12017 hours remaining, 207.335938 MB of memory in use. ENERGY: 1225000 737.0334 2089.9116 1939.3176 104.0704 -205947.4094 17611.2072 0.0000 0.0000 34253.4658 -149212.4033 299.1440 -183465.8691 -149119.7817 299.2761 -136.2944 -101.6725 557354.8781 3.8299 3.7696 PRESSURE: 1225200 -76.3611 5.23338 -8.77162 5.23093 -130.257 13.3465 -8.77121 13.3461 -279.375 GPRESSURE: 1225200 -63.3833 -9.73067 29.0254 3.00477 -62.7636 53.9231 -5.21053 6.13544 -257.652 PRESSAVG: 1225200 -34.0455 -12.3165 -13.5456 -12.3165 20.2947 10.6976 -13.5455 10.6975 30.9878 GPRESSAVG: 1225200 -35.6116 -12.1657 -14.6623 -10.19 20.6917 10.7727 -13.0385 11.2452 31.9595 TIMING: 1225200 CPU: 3685.33, 0.0029998/step Wall: 3685.33, 0.0029998/step, 3.14545 hours remaining, 207.335938 MB of memory in use. ENERGY: 1225200 772.7747 2074.0894 1941.9763 104.1651 -205907.6276 17546.7847 0.0000 0.0000 34406.7682 -149061.0691 300.4829 -183467.8373 -148975.9685 299.2870 -161.9976 -127.9330 557564.7756 5.7457 5.6799 PRESSURE: 1225400 -272.761 28.4734 145.862 28.4731 10.8251 -64.9813 145.862 -64.9818 -203.789 GPRESSURE: 1225400 -256.849 -30.7458 152.872 35.5519 47.0346 -7.62597 10.3376 -103.703 -146.87 PRESSAVG: 1225400 35.8235 50.3967 25.9075 50.3967 31.9055 -9.0432 25.9074 -9.04333 -51.4735 GPRESSAVG: 1225400 36.9802 50.3131 27.238 49.1848 32.4555 -7.81633 22.0533 -7.04675 -53.2052 TIMING: 1225400 CPU: 3685.93, 0.00299549/step Wall: 3685.93, 0.00299549/step, 3.14077 hours remaining, 207.335938 MB of memory in use. ENERGY: 1225400 757.5762 2086.1440 1932.1644 96.3612 -205595.7113 17585.4310 0.0000 0.0000 34129.5309 -149008.5036 298.0617 -183138.0345 -148911.3757 300.2052 -155.2417 -118.8948 558224.3472 5.4185 5.4102 PRESSURE: 1225600 -185.499 -27.2209 -114.151 -27.2197 -62.5287 -54.8075 -114.15 -54.808 -357.616 GPRESSURE: 1225600 -158.313 33.1836 -103.001 -54.3422 -54.8318 -121.937 -67.6568 25.9113 -286.828 PRESSAVG: 1225600 -82.893 15.5098 -0.176419 15.5099 30.6028 -23.2314 -0.176484 -23.2316 41.2363 GPRESSAVG: 1225600 -83.9607 15.806 -0.464185 16.9967 31.6395 -23.6169 1.88857 -25.2333 41.1592 TIMING: 1225600 CPU: 3686.53, 0.00302958/step Wall: 3686.53, 0.00302958/step, 3.17634 hours remaining, 207.335938 MB of memory in use. ENERGY: 1225600 778.7682 2105.6388 1932.8497 117.8656 -206086.2465 17598.0830 0.0000 0.0000 34495.7721 -149057.2690 301.2602 -183553.0411 -148959.0582 299.7118 -201.8810 -166.6576 557324.7618 -3.6846 -3.7207 PRESSURE: 1225800 -65.1376 7.81326 78.386 7.81308 -47.2909 7.01523 78.3865 7.01527 -79.9155 GPRESSURE: 1225800 9.72005 -10.8222 102.279 -30.112 -53.1305 25.6305 103.925 12.8167 -51.1332 PRESSAVG: 1225800 -29.0314 13.5287 -5.31098 13.5287 23.4302 17.3044 -5.31099 17.3044 -11.3963 GPRESSAVG: 1225800 -27.4278 11.737 -6.50966 12.9103 21.7111 16.6697 -4.33116 20.0191 -10.925 TIMING: 1225800 CPU: 3687.14, 0.00303683/step Wall: 3687.14, 0.00303683/step, 3.18378 hours remaining, 207.335938 MB of memory in use. ENERGY: 1225800 727.9765 2048.7705 1934.3975 110.7007 -206003.9522 17718.1587 0.0000 0.0000 34257.7518 -149206.1964 299.1815 -183463.9482 -149112.8139 299.6782 -64.1147 -31.5146 557744.9813 -5.6658 -5.5473 PRESSURE: 1226000 -182.354 29.7416 -3.72983 29.741 41.7826 20.6962 -3.73039 20.6973 -47.6731 GPRESSURE: 1226000 -138.629 74.1942 -61.3346 -82.5932 16.9926 44.8655 30.8208 -62.6139 36.4264 PRESSAVG: 1226000 -14.0265 49.4963 0.82458 49.4963 -42.61 20.3564 0.824513 20.3565 28.3461 GPRESSAVG: 1226000 -15.937 50.5731 -0.586047 49.9892 -41.1735 17.511 1.14539 20.3954 28.598 TIMING: 1226000 CPU: 3687.75, 0.00304288/step Wall: 3687.75, 0.00304288/step, 3.18995 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: 1226000 762.8289 2064.3317 1935.5579 103.9998 -205740.0503 17805.8331 0.0000 0.0000 34075.6192 -148991.8797 297.5909 -183067.4990 -148896.1188 298.7933 -62.7482 -28.4032 559658.4516 -9.4301 -9.5042 PRESSURE: 1226200 -48.1909 -121.028 36.722 -121.029 49.31 -136.95 36.7221 -136.951 147.223 GPRESSURE: 1226200 -28.017 -91.0576 106.22 -83.409 75.3676 -142.431 -57.6803 -72.9759 202.206 PRESSAVG: 1226200 -64.8078 -2.78019 32.5616 -2.78015 -12.7557 -46.3893 32.5616 -46.3893 84.2271 GPRESSAVG: 1226200 -62.4397 -2.0923 35.4097 -3.78615 -14.24 -45.1212 31.3529 -46.1324 83.5089 TIMING: 1226200 CPU: 3688.35, 0.00301875/step Wall: 3688.35, 0.00301875/step, 3.16449 hours remaining, 207.335938 MB of memory in use. ENERGY: 1226200 719.4102 2074.5370 1945.8875 119.9034 -206137.2715 17678.8260 0.0000 0.0000 34390.6577 -149208.0497 300.3422 -183598.7074 -149105.3382 299.5693 49.4474 83.1855 557046.9774 2.2212 2.2764 PRESSURE: 1226400 49.4789 70.8242 54.9858 70.824 -262.383 88.6076 54.9872 88.6093 -76.6211 GPRESSURE: 1226400 53.4435 39.9714 72.1749 118.562 -198.929 118.972 -10.2506 26.9435 -44.9417 PRESSAVG: 1226400 15.2904 -12.9772 3.06308 -12.9772 24.3141 -7.03072 3.063 -7.03065 15.921 GPRESSAVG: 1226400 13.119 -14.8735 2.55631 -11.3716 25.2023 -6.38325 3.02692 -8.06768 16.8228 TIMING: 1226400 CPU: 3688.96, 0.00303184/step Wall: 3688.96, 0.00303184/step, 3.17804 hours remaining, 207.335938 MB of memory in use. ENERGY: 1226400 744.1131 2057.6356 1955.7062 115.3250 -206135.4960 17703.1619 0.0000 0.0000 34267.4303 -149292.1238 299.2660 -183559.5541 -149196.0391 299.4330 -96.5085 -63.4757 557841.1867 18.5085 18.3814 PRESSURE: 1226600 233.738 62.3763 10.6806 62.3761 61.7436 9.53059 10.6806 9.53156 114.456 GPRESSURE: 1226600 203.688 60.3269 30.5421 22.5354 83.3511 -8.77024 -23.2105 -38.8834 227.464 PRESSAVG: 1226600 24.4471 -7.67781 34.666 -7.67784 -15.5094 -36.9891 34.666 -36.9892 -36.7132 GPRESSAVG: 1226600 24.8051 -5.77584 33.0541 -9.7299 -15.2637 -34.7506 35.3075 -36.8311 -36.4214 TIMING: 1226600 CPU: 3689.56, 0.0030192/step Wall: 3689.56, 0.0030192/step, 3.16463 hours remaining, 207.335938 MB of memory in use. ENERGY: 1226600 722.8792 2062.6153 1949.5652 100.7381 -206348.7737 17966.8542 0.0000 0.0000 34330.0429 -149216.0788 299.8128 -183546.1217 -149127.7538 298.8925 136.6460 171.5011 557725.8916 -9.2585 -8.9600 PRESSURE: 1226800 -181.258 -84.0737 4.15988 -84.0734 -238.243 -148.712 4.1601 -148.711 -145.382 GPRESSURE: 1226800 -109.628 -77.9812 82.9453 -23.7809 -289.947 -40.5019 65.1218 -236.895 -76.291 PRESSAVG: 1226800 -5.44126 22.4515 -22.9175 22.4515 -36.5206 13.1764 -22.9175 13.1765 59.276 GPRESSAVG: 1226800 -5.14124 23.6409 -21.1492 21.1191 -36.9004 11.4928 -23.0295 13.0284 59.1131 TIMING: 1226800 CPU: 3690.16, 0.00300522/step Wall: 3690.16, 0.00300522/step, 3.1498 hours remaining, 207.335938 MB of memory in use. ENERGY: 1226800 718.7394 2105.4464 1911.2676 128.2750 -205734.0322 17513.6618 0.0000 0.0000 34427.7213 -148928.9206 300.6659 -183356.6419 -148826.9258 299.4032 -188.2940 -158.6219 559225.3375 5.7714 5.6905 PRESSURE: 1227000 -157.3 121.661 84.1831 121.661 -254.19 87.2727 84.1821 87.2738 115.415 GPRESSURE: 1227000 -134.72 113.602 85.4326 98.2927 -189.48 182.188 126.779 24.919 117.683 PRESSAVG: 1227000 45.7226 4.42315 42.5374 4.42317 -73.7521 31.7371 42.5375 31.737 -16.2874 GPRESSAVG: 1227000 47.0204 3.49086 42.1433 5.68542 -74.5066 31.229 44.6679 31.0743 -16.7274 TIMING: 1227000 CPU: 3690.77, 0.00301514/step Wall: 3690.77, 0.00301514/step, 3.16004 hours remaining, 207.335938 MB of memory in use. ENERGY: 1227000 753.8291 2081.0182 1910.7401 105.6538 -206070.4758 17789.2353 0.0000 0.0000 34402.2385 -149027.7608 300.4433 -183429.9993 -148930.9529 299.5955 -98.6916 -68.8389 558940.4312 -14.7723 -14.7379 PRESSURE: 1227200 -198.512 79.0443 -37.4028 79.0443 -0.0391219 -155.402 -37.4023 -155.4 -11.5131 GPRESSURE: 1227200 -134.381 203.075 -79.4833 -23.7235 -13.864 -197.98 -20.3453 -140.756 31.6307 PRESSAVG: 1227200 7.39398 58.2095 40.8495 58.2095 -2.37047 51.1505 40.8493 51.1504 -6.0519 GPRESSAVG: 1227200 6.05917 58.3089 41.6028 57.7228 -1.2526 53.0402 39.2593 50.0184 -5.9025 TIMING: 1227200 CPU: 3691.37, 0.00302747/step Wall: 3691.37, 0.00302747/step, 3.17279 hours remaining, 207.335938 MB of memory in use. ENERGY: 1227200 750.7628 2069.0849 1900.7488 112.9850 -206238.6366 17777.7995 0.0000 0.0000 34499.4665 -149127.7892 301.2924 -183627.2557 -149035.5822 299.5490 -70.0214 -38.8716 557323.4392 -0.3428 -0.3653 PRESSURE: 1227400 -73.4706 96.9922 -34.7819 96.993 53.7717 22.317 -34.7819 22.3159 11.7523 GPRESSURE: 1227400 -37.8683 105.81 -86.1841 18.7523 71.0318 -54.0771 52.3105 159.918 54.4862 PRESSAVG: 1227400 4.08351 12.7363 -25.7828 12.7363 -8.16592 -14.9613 -25.7829 -14.9613 -12.852 GPRESSAVG: 1227400 4.1681 10.7093 -29.561 13.6776 -7.49284 -16.5521 -24.9129 -12.6329 -13.2893 TIMING: 1227400 CPU: 3691.98, 0.0030576/step Wall: 3691.98, 0.0030576/step, 3.20419 hours remaining, 207.335938 MB of memory in use. ENERGY: 1227400 762.5218 2043.3526 1911.7719 104.0053 -206121.1819 17894.2975 0.0000 0.0000 34249.2574 -149155.9754 299.1073 -183405.2328 -149060.7876 298.6877 -2.6489 29.2166 558238.4762 -5.6448 -5.5380 PRESSURE: 1227600 95.1652 108.055 -74.6055 108.054 180.602 -51.2852 -74.6053 -51.2843 -166.003 GPRESSURE: 1227600 145.449 173.227 0.313266 96.1053 233.647 -60.2788 -100.324 -36.5052 -168.783 PRESSAVG: 1227600 22.0116 42.9421 1.66314 42.9421 5.76278 -13.4971 1.6631 -13.4972 -30.7736 GPRESSAVG: 1227600 21.4433 44.5843 3.18633 42.259 5.81923 -15.2619 0.603055 -13.4082 -30.5027 TIMING: 1227600 CPU: 3692.59, 0.00305393/step Wall: 3692.59, 0.00305393/step, 3.20018 hours remaining, 207.335938 MB of memory in use. ENERGY: 1227600 743.8015 2083.5988 1947.4059 109.7740 -206364.5664 17940.0999 0.0000 0.0000 34503.7673 -149036.1191 301.3300 -183539.8865 -148942.9767 299.9131 36.5881 70.1042 557723.0135 -0.9997 -1.0801 PRESSURE: 1227800 69.5852 -52.196 -196.768 -52.1948 20.3543 4.34148 -196.768 4.34081 123.595 GPRESSURE: 1227800 80.7846 -70.4753 -109.743 15.839 63.4624 23.0562 -188.491 88.1722 161.002 PRESSAVG: 1227800 44.9082 83.9334 -27.7391 83.9335 -0.195939 -25.3903 -27.7392 -25.3903 -62.6496 GPRESSAVG: 1227800 45.1251 82.6968 -28.0441 85.3003 -0.221617 -24.5591 -28.1803 -26.2734 -62.9681 TIMING: 1227800 CPU: 3693.21, 0.00308159/step Wall: 3693.21, 0.00308159/step, 3.229 hours remaining, 207.335938 MB of memory in use. ENERGY: 1227800 717.3165 2108.2164 1919.6530 114.2191 -206113.6732 17953.6092 0.0000 0.0000 34150.3738 -149150.2852 298.2437 -183300.6590 -149060.0185 299.1642 71.1781 101.7498 559038.6386 -5.9791 -6.0216 PRESSURE: 1228000 -23.8853 48.9473 121.206 48.9467 -207.269 214.178 121.206 214.178 -225.53 GPRESSURE: 1228000 73.1172 59.4919 157.809 52.0973 -141.89 206.522 183.742 220.154 -299.147 PRESSAVG: 1228000 49.3624 52.4648 32.3131 52.4648 -52.4029 37.2188 32.3132 37.2188 -4.0845 GPRESSAVG: 1228000 49.8831 54.7395 31.5079 51.7902 -53.2395 38.6055 31.6497 37.0075 -3.38385 TIMING: 1228000 CPU: 3693.83, 0.00307804/step Wall: 3693.83, 0.00307804/step, 3.22511 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: 1228000 747.3671 2140.7023 1921.4628 107.7647 -205897.9005 17616.7510 0.0000 0.0000 34237.3574 -149126.4953 299.0034 -183363.8526 -149030.0822 298.7993 -152.2278 -122.6399 560528.6101 -2.3750 -2.2468 PRESSURE: 1228200 110.877 57.0111 -69.9689 57.0103 319.128 18.208 -69.9677 18.2085 226.146 GPRESSURE: 1228200 130.361 77.4011 8.46259 32.6852 324.778 56.6787 -86.865 72.0656 290.387 PRESSAVG: 1228200 -28.7441 3.52622 31.3764 3.52629 5.50546 43.6094 31.3765 43.6093 11.9744 GPRESSAVG: 1228200 -28.5729 4.15321 31.8913 2.5531 5.47878 42.8063 32.2831 45.0525 11.9132 TIMING: 1228200 CPU: 3694.43, 0.00302945/step Wall: 3694.43, 0.00302945/step, 3.17403 hours remaining, 207.335938 MB of memory in use. ENERGY: 1228200 722.1008 2112.3559 1958.2183 119.5076 -206370.8028 18092.6366 0.0000 0.0000 34201.6101 -149164.3735 298.6912 -183365.9836 -149071.1514 299.0127 218.7169 248.5089 558036.4767 -3.7547 -3.7270 LDB: ============= START OF LOAD BALANCING ============== 3697.95 LDB: ============== END OF LOAD BALANCING =============== 3697.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3697.95 LDB: ============= START OF LOAD BALANCING ============== 3698.25 LDB: Largest compute 4800 load 0.025227 is 21.4% of average load 0.117855 LDB: Average compute 0.001751 is 1.5% of average load 0.117855 LDB: TIME 3698.25 LOAD: AVG 0.117855 MAX 0.213661 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.492 MB LDB: TIME 3698.25 LOAD: AVG 0.117855 MAX 0.213661 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.562 MB LDB: TIME 3698.25 LOAD: AVG 0.117855 MAX 0.213661 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.562 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3698.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3698.26 PRESSURE: 1228400 49.4268 30.0325 88.0981 30.032 -112.59 63.1831 88.0983 63.1843 274.43 GPRESSURE: 1228400 100.883 35.1599 102.265 -4.08418 -110.226 20.0351 52.2346 95.3854 323.145 PRESSAVG: 1228400 -8.04386 -7.18558 -9.33666 -7.18559 47.0253 8.2637 -9.33666 8.26373 -39.5536 GPRESSAVG: 1228400 -9.09861 -9.62386 -8.60004 -7.24867 46.3637 7.58343 -11.0342 7.15468 -37.623 TIMING: 1228400 CPU: 3695.04, 0.00305959/step Wall: 3695.04, 0.00305959/step, 3.20543 hours remaining, 206.976562 MB of memory in use. ENERGY: 1228400 748.1976 2055.2581 1958.9558 110.3295 -206354.2172 17897.6984 0.0000 0.0000 34325.7487 -149258.0291 299.7753 -183583.7778 -149155.8792 298.8041 70.4224 104.6007 556734.2371 -0.1907 -0.1193 PRESSURE: 1228600 -242.761 105.238 103.381 105.239 -140.643 129.821 103.382 129.823 -89.511 GPRESSURE: 1228600 -192.832 56.0735 65.5816 68.673 -102.75 12.011 212.104 115.792 -87.876 PRESSAVG: 1228600 2.45015 29.6298 -33.664 29.6298 -14.5753 -4.90374 -33.6641 -4.90379 21.4333 GPRESSAVG: 1228600 3.12037 29.5029 -34.3768 31.6047 -13.6351 -4.08618 -31.9002 -4.82954 19.5953 TIMING: 1228600 CPU: 3695.65, 0.00301232/step Wall: 3695.65, 0.00301232/step, 3.15574 hours remaining, 207.179688 MB of memory in use. ENERGY: 1228600 748.0689 2078.3997 1953.7157 100.0449 -206345.6051 17748.6694 0.0000 0.0000 34236.3173 -149480.3893 298.9943 -183716.7066 -149383.5815 299.1069 -157.6384 -127.8193 557245.8365 3.1027 3.0269 PRESSURE: 1228800 -37.4928 15.4172 245.67 15.4171 -96.6985 -30.2967 245.67 -30.2947 -131.674 GPRESSURE: 1228800 10.9431 -9.08487 249.225 35.473 -65.0354 -54.9298 208.861 25.9268 -122.648 PRESSAVG: 1228800 -10.2089 -48.1474 40.1099 -48.1474 -15.4313 22.3792 40.1098 22.3792 41.7173 GPRESSAVG: 1228800 -10.4773 -47.4918 41.4761 -47.5966 -14.7602 22.1632 37.0511 22.184 42.1421 TIMING: 1228800 CPU: 3696.25, 0.00301182/step Wall: 3696.25, 0.00301182/step, 3.15505 hours remaining, 207.179688 MB of memory in use. ENERGY: 1228800 747.8207 2125.2626 1968.1721 117.1646 -206334.2519 17698.7012 0.0000 0.0000 34116.4233 -149560.7075 297.9472 -183677.1308 -149471.8572 298.5693 -88.6219 -58.9134 557187.1485 5.3591 5.6349 PRESSURE: 1229000 41.8026 115.346 54.6771 115.345 -271.702 -4.67988 54.677 -4.68138 108.6 GPRESSURE: 1229000 72.675 -49.8518 49.6418 151.626 -228.722 -19.4798 81.5785 16.7203 133.543 PRESSAVG: 1229000 22.0461 -21.7662 -18.2797 -21.7661 -100.699 -20.7153 -18.2797 -20.7152 80.1043 GPRESSAVG: 1229000 22.5365 -21.3232 -19.5214 -23.9824 -100.612 -19.2016 -15.9635 -21.892 80.372 TIMING: 1229000 CPU: 3696.85, 0.00301147/step Wall: 3696.85, 0.00301147/step, 3.15451 hours remaining, 207.179688 MB of memory in use. ENERGY: 1229000 769.4370 2069.0738 1968.6866 123.5906 -206740.4236 17869.4252 0.0000 0.0000 34219.6171 -149720.5932 298.8484 -183940.2103 -149630.7885 298.3596 -40.4332 -7.5012 555841.4408 0.4838 0.7656 PRESSURE: 1229200 -313.15 107.73 -21.1846 107.729 -204.331 -86.1912 -21.1856 -86.1925 -89.6919 GPRESSURE: 1229200 -246.369 65.9173 60.9999 118.63 -175.087 -47.1954 -59.4976 -63.7152 -91.5393 PRESSAVG: 1229200 -39.8209 14.4967 9.9732 14.4966 -39.5973 0.412309 9.97335 0.412377 22.9034 GPRESSAVG: 1229200 -39.7181 14.1917 9.8708 15.8826 -40.2146 -1.06077 11.1971 2.1334 22.3229 TIMING: 1229200 CPU: 3697.45, 0.00299296/step Wall: 3697.45, 0.00299296/step, 3.13496 hours remaining, 207.179688 MB of memory in use. ENERGY: 1229200 818.7360 2043.3281 1931.3288 108.0600 -206598.2542 17711.7322 0.0000 0.0000 34309.2351 -149675.8340 299.6311 -183985.0692 -149575.2838 298.6366 -202.3909 -170.9984 556064.3484 -18.8383 -19.2033 PRESSURE: 1229400 -29.1484 1.83809 -118.209 1.838 176.618 111.065 -118.208 111.066 27.1387 GPRESSURE: 1229400 -25.0013 -8.45377 -177.05 -44.7959 242.493 59.5353 -114.356 115.269 60.335 PRESSAVG: 1229400 26.3753 -7.33531 -1.05331 -7.33528 33.9611 -10.4536 -1.05332 -10.4538 -32.0393 GPRESSAVG: 1229400 25.5728 -9.67623 0.0157267 -7.72056 33.4051 -8.81774 -3.20281 -10.9953 -30.9032 TIMING: 1229400 CPU: 3698.05, 0.00301082/step Wall: 3698.05, 0.00301082/step, 3.1535 hours remaining, 207.179688 MB of memory in use. ENERGY: 1229400 739.0125 2060.4774 1947.3072 115.2495 -206075.1387 17705.9133 0.0000 0.0000 33943.4857 -149563.6931 296.4369 -183507.1788 -149465.9117 298.2790 58.2027 92.6089 554712.9721 9.4323 9.3582 PRESSURE: 1229600 -87.2306 -46.1984 4.99642 -46.1982 -85.497 74.1123 4.99699 74.1133 -263.888 GPRESSURE: 1229600 -69.4259 -75.2285 19.4661 -114.373 -84.1229 102.052 14.3778 47.0859 -188.358 PRESSAVG: 1229600 -30.8802 -11.0823 -24.4415 -11.0822 24.6568 95.2499 -24.4415 95.25 -32.8489 GPRESSAVG: 1229600 -31.6114 -10.0385 -24.1926 -11.5544 25.297 93.1237 -23.8765 94.9423 -32.9314 TIMING: 1229600 CPU: 3698.66, 0.00301918/step Wall: 3698.66, 0.00301918/step, 3.16209 hours remaining, 207.179688 MB of memory in use. ENERGY: 1229600 764.0002 2060.4994 1950.1203 117.7511 -206479.6458 17631.0796 0.0000 0.0000 34383.2126 -149572.9827 300.2771 -183956.1953 -149469.6276 298.6875 -145.5384 -113.9688 556509.9514 -13.0241 -13.0819 PRESSURE: 1229800 -145.535 -135.625 15.0859 -135.625 42.9174 17.1655 15.0867 17.1655 -265.137 GPRESSURE: 1229800 -74.3488 -93.215 -24.1254 -227.543 70.5636 -37.855 34.0551 0.288993 -259.438 PRESSAVG: 1229800 26.3942 -24.4977 -7.93418 -24.4977 -3.56356 18.9792 -7.93416 18.9792 26.1075 GPRESSAVG: 1229800 27.7152 -22.87 -8.30988 -26.5888 -3.51129 19.6228 -7.92063 19.2594 25.2262 TIMING: 1229800 CPU: 3699.26, 0.00302269/step Wall: 3699.26, 0.00302269/step, 3.1656 hours remaining, 207.179688 MB of memory in use. ENERGY: 1229800 765.1375 2087.9083 1919.4641 115.4230 -206139.0106 17577.4743 0.0000 0.0000 34286.3573 -149387.2461 299.4313 -183673.6034 -149297.5788 298.5414 -122.5847 -87.7412 556173.9017 16.3127 16.4767 PRESSURE: 1230000 100.444 73.4032 -82.3136 73.4046 -200.122 -19.9937 -82.3129 -19.9941 10.2662 GPRESSURE: 1230000 126.9 165.957 -53.1137 93.2443 -188.618 -124.588 -90.8508 47.1675 85.6885 PRESSAVG: 1230000 -5.40402 6.29802 -9.06872 6.29806 34.4703 -5.60862 -9.06873 -5.60872 -64.0334 GPRESSAVG: 1230000 -4.73804 5.41066 -9.58396 6.42734 34.1344 -6.49794 -8.8589 -4.34044 -63.7608 TIMING: 1230000 CPU: 3699.86, 0.00300296/step Wall: 3699.86, 0.00300296/step, 3.14477 hours remaining, 207.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1230000 780.1900 2077.1609 1940.2054 117.5154 -206216.3738 17625.5822 0.0000 0.0000 34145.8254 -149529.8945 298.2040 -183675.7198 -149437.3430 298.5790 -29.8037 7.9902 555291.1278 -11.6557 -11.4548 PRESSURE: 1230200 -33.0037 31.7475 69.3249 31.7465 -95.0301 3.90148 69.3242 3.90015 -4.70449 GPRESSURE: 1230200 -66.2659 2.15237 52.1201 23.678 -72.7171 -0.833337 5.97786 -42.7605 89.7895 PRESSAVG: 1230200 9.42224 -12.5319 -47.1899 -12.5318 -9.97218 13.9563 -47.1899 13.9564 16.8386 GPRESSAVG: 1230200 8.88533 -14.2119 -46.5681 -11.5873 -10.252 17.1542 -46.7223 13.0947 17.3766 TIMING: 1230200 CPU: 3700.47, 0.0030488/step Wall: 3700.47, 0.0030488/step, 3.1926 hours remaining, 207.179688 MB of memory in use. ENERGY: 1230200 755.6807 2151.3332 1941.1428 112.7983 -206357.8638 17716.6454 0.0000 0.0000 34406.6717 -149273.5918 300.4820 -183680.2635 -149172.9865 298.9449 -44.2461 -16.3978 555755.2072 5.4295 5.3367 PRESSURE: 1230400 43.4885 -112.946 4.50404 -112.947 -154.71 -99.7497 4.50445 -99.7486 -96.0993 GPRESSURE: 1230400 110.007 -112.816 -1.76131 -59.962 -164.417 -112.52 -54.8208 -101.825 -61.8213 PRESSAVG: 1230400 34.8455 -43.2924 -19.9134 -43.2923 -10.4834 -23.2086 -19.9135 -23.2087 -78.5912 GPRESSAVG: 1230400 33.8759 -42.2137 -17.2277 -43.6296 -9.42337 -24.0026 -21.9718 -23.767 -79.0432 TIMING: 1230400 CPU: 3701.07, 0.0030231/step Wall: 3701.07, 0.0030231/step, 3.16552 hours remaining, 207.179688 MB of memory in use. ENERGY: 1230400 763.4760 2017.1708 1934.1015 127.0182 -206149.9614 17734.4762 0.0000 0.0000 34341.1806 -149232.5381 299.9101 -183573.7188 -149132.7666 299.1610 -69.1071 -38.7438 555971.5090 -18.0764 -18.1969 PRESSURE: 1230600 -90.598 -149.685 -16.4794 -149.684 -28.3726 -87.3588 -16.4797 -87.3581 -154.794 GPRESSURE: 1230600 -25.6052 -24.227 77.5844 -167.025 -34.3847 -57.6104 -49.2761 -66.0489 -117.222 PRESSAVG: 1230600 0.384266 -31.6934 10.965 -31.6934 -37.005 -4.54553 10.965 -4.54551 10.616 GPRESSAVG: 1230600 1.37102 -33.8799 9.56665 -30.0837 -38.4702 -2.61841 11.5268 -7.36534 11.037 TIMING: 1230600 CPU: 3701.68, 0.00300661/step Wall: 3701.68, 0.00300661/step, 3.14809 hours remaining, 207.179688 MB of memory in use. ENERGY: 1230600 774.4830 2063.7670 1954.1482 133.2128 -206175.6815 17821.6250 0.0000 0.0000 34305.0579 -149123.3875 299.5946 -183428.4455 -149026.0040 298.8533 -91.2550 -59.0706 557758.4942 -8.6682 -8.6874 PRESSURE: 1230800 -20.9142 -35.2373 108.608 -35.2376 -187.824 159.194 108.607 159.195 -353.848 GPRESSURE: 1230800 -0.108063 41.2453 40.1823 -86.3183 -162.383 215.187 158.492 107.046 -306.866 PRESSAVG: 1230800 1.89685 -45.7092 10.494 -45.7092 -27.569 31.6874 10.4939 31.6874 40.3997 GPRESSAVG: 1230800 3.56673 -43.9684 7.54003 -46.5008 -27.298 28.7713 13.5923 36.5727 38.8293 TIMING: 1230800 CPU: 3702.29, 0.00304934/step Wall: 3702.29, 0.00304934/step, 3.19266 hours remaining, 207.179688 MB of memory in use. ENERGY: 1230800 801.0197 2147.8726 1945.8372 108.7999 -205877.2641 17615.7748 0.0000 0.0000 34059.3073 -149198.6525 297.4484 -183257.9598 -149099.6414 299.1185 -187.5285 -156.4525 558762.0718 4.9092 5.0327 PRESSURE: 1231000 -170.702 -50.9626 -104.675 -50.9626 -207.971 -18.1182 -104.674 -18.1185 -37.2889 GPRESSURE: 1231000 -135.625 -137.51 -101.41 -113.517 -199.358 -34.3113 -49.2211 49.691 28.2324 PRESSAVG: 1231000 -29.9082 23.6442 28.8682 23.6441 32.3412 -31.5041 28.8683 -31.504 7.48948 GPRESSAVG: 1231000 -32.1664 23.0947 30.9465 23.4735 33.0294 -31.3228 27.1839 -33.9262 8.8007 TIMING: 1231000 CPU: 3702.89, 0.00300481/step Wall: 3702.89, 0.00300481/step, 3.14587 hours remaining, 207.179688 MB of memory in use. ENERGY: 1231000 729.1702 2084.2238 1922.7713 127.4614 -205771.8857 17417.3896 0.0000 0.0000 34374.7735 -149116.0958 300.2034 -183490.8693 -149023.9549 299.0783 -138.6539 -102.2500 558460.0487 3.3075 3.2212 PRESSURE: 1231200 -115.057 -28.1478 -115.401 -28.1487 -296.71 42.572 -115.402 42.5724 -279.442 GPRESSURE: 1231200 -74.5846 48.8039 -35.0663 -47.3786 -289.626 142.259 -90.0654 6.92202 -229.873 PRESSAVG: 1231200 -17.9842 -28.1314 2.45153 -28.1313 -18.101 -7.47152 2.45145 -7.4715 54.2746 GPRESSAVG: 1231200 -17.3807 -26.7473 1.93157 -28.6591 -18.241 -8.05969 2.89891 -5.91234 53.8465 TIMING: 1231200 CPU: 3703.49, 0.0030053/step Wall: 3703.49, 0.0030053/step, 3.14622 hours remaining, 207.179688 MB of memory in use. ENERGY: 1231200 745.1149 2149.7772 1953.3965 112.9650 -205698.8731 17301.2446 0.0000 0.0000 34392.0246 -149044.3504 300.3541 -183436.3750 -148940.5854 300.0206 -230.4029 -198.0279 559191.8801 6.0631 6.0749 PRESSURE: 1231400 -275.372 -9.93818 -171.759 -9.93797 -36.45 58.7261 -171.759 58.7264 -42.4863 GPRESSURE: 1231400 -224.302 11.0673 -202.481 17.2274 -67.957 116.956 -134.191 -37.8699 39.5219 PRESSAVG: 1231400 -18.2125 -8.76141 27.6169 -8.76135 12.3477 16.4136 27.6169 16.4137 -5.36055 GPRESSAVG: 1231400 -17.8679 -9.9312 26.1449 -9.98758 11.5204 15.8606 28.0088 15.6164 -4.58051 TIMING: 1231400 CPU: 3704.09, 0.00298597/step Wall: 3704.09, 0.00298597/step, 3.12581 hours remaining, 207.179688 MB of memory in use. ENERGY: 1231400 773.8122 2186.3107 1931.4013 116.5972 -206158.9435 17747.8055 0.0000 0.0000 34302.0222 -149100.9943 299.5681 -183403.0165 -149007.2105 300.1042 -118.1029 -84.2457 558912.5157 -3.7418 -3.6427 PRESSURE: 1231600 -96.8296 11.8162 -14.619 11.8152 -60.5952 64.2376 -14.6189 64.2371 265.298 GPRESSURE: 1231600 -105.996 -38.6119 -44.3779 38.0537 9.68736 90.8397 -19.2298 68.7128 306.637 PRESSAVG: 1231600 -62.5584 -4.00433 10.2406 -4.00437 0.141501 7.64221 10.2406 7.64229 5.03132 GPRESSAVG: 1231600 -61.7126 -5.00358 11.5075 -3.35303 0.544245 8.92672 12.2982 7.66525 4.30263 TIMING: 1231600 CPU: 3704.69, 0.00302382/step Wall: 3704.69, 0.00302382/step, 3.16527 hours remaining, 207.179688 MB of memory in use. ENERGY: 1231600 698.1944 2139.1178 1931.6932 117.4698 -206092.0047 17822.8650 0.0000 0.0000 34318.8548 -149063.8098 299.7151 -183382.6646 -148961.1352 299.9525 35.9578 70.1096 556640.3072 -19.1285 -18.9552 PRESSURE: 1231800 11.983 -155.786 -100.954 -155.788 0.950642 -13.4175 -100.954 -13.4168 59.4412 GPRESSURE: 1231800 23.2309 -196.535 -96.1233 -143.059 45.4074 50.9396 -103.226 -50.8181 105.66 PRESSAVG: 1231800 56.8161 57.5577 -42.9131 57.5577 -66.8197 -8.41443 -42.9131 -8.41446 -6.67204 GPRESSAVG: 1231800 55.286 59.6237 -42.3867 58.2174 -65.8693 -8.986 -43.494 -8.63581 -6.09121 TIMING: 1231800 CPU: 3705.3, 0.00304498/step Wall: 3705.3, 0.00304498/step, 3.18725 hours remaining, 207.179688 MB of memory in use. ENERGY: 1231800 790.8164 2102.8371 1952.8003 109.2639 -206012.0846 17782.5577 0.0000 0.0000 34321.3529 -148952.4563 299.7369 -183273.8092 -148856.8305 300.1634 24.1249 58.0993 557469.4275 -5.5586 -5.5582 PRESSURE: 1232000 -235.73 -31.4058 -88.2577 -31.4057 3.11356 184.226 -88.258 184.227 61.9787 GPRESSURE: 1232000 -198.964 53.1504 -26.2858 -23.4956 75.6375 113.483 -165.98 236.051 59.2572 PRESSAVG: 1232000 14.2583 33.8873 -32.3471 33.8873 -40.3238 19.414 -32.3471 19.4141 17.7127 GPRESSAVG: 1232000 15.7548 33.3522 -31.1266 34.5311 -41.6473 20.0365 -34.5494 19.1535 17.6207 TIMING: 1232000 CPU: 3705.91, 0.00303809/step Wall: 3705.91, 0.00303809/step, 3.17987 hours remaining, 207.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1232000 770.7094 2175.1657 1964.1639 103.1846 -205992.4140 17661.1474 0.0000 0.0000 34456.2526 -148861.7904 300.9150 -183318.0430 -148763.2534 300.5328 -56.8794 -21.3565 557404.9341 -2.7843 -2.7573 PRESSURE: 1232200 -316.267 94.5065 109.399 94.5077 106.418 -45.4931 109.399 -45.4936 161.449 GPRESSURE: 1232200 -266.469 108.681 107.588 16.3933 147.898 32.993 154.09 -105.733 174.418 PRESSAVG: 1232200 -1.4326 -8.41149 22.6503 -8.41147 3.5426 29.7848 22.6502 29.7847 -23.438 GPRESSAVG: 1232200 -1.93333 -8.48185 21.529 -9.34792 4.26868 29.9446 25.1458 28.9705 -23.7903 TIMING: 1232200 CPU: 3706.52, 0.00306202/step Wall: 3706.52, 0.00306202/step, 3.20474 hours remaining, 207.179688 MB of memory in use. ENERGY: 1232200 731.4047 2128.4207 1964.3528 115.6206 -206194.0690 17786.7967 0.0000 0.0000 34468.1133 -148999.3602 301.0186 -183467.4735 -148907.1566 300.1231 -16.1331 18.6154 557814.8037 -7.1093 -7.1516 LDB: ============= START OF LOAD BALANCING ============== 3710.04 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3710.04 LDB: =============== DONE WITH MIGRATION ================ 3710.04 LDB: ============= START OF LOAD BALANCING ============== 3710.34 LDB: Largest compute 4795 load 0.027337 is 23.2% of average load 0.117896 LDB: Average compute 0.001755 is 1.5% of average load 0.117896 LDB: TIME 3710.35 LOAD: AVG 0.117896 MAX 0.215914 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.266 MB LDB: TIME 3710.35 LOAD: AVG 0.117896 MAX 0.215914 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.469 MB LDB: TIME 3710.35 LOAD: AVG 0.117896 MAX 0.215914 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.469 MB LDB: ============== END OF LOAD BALANCING =============== 3710.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3710.35 PRESSURE: 1232400 232.787 -159.421 27.3996 -159.419 318.926 22.838 27.3984 22.8378 52.8945 GPRESSURE: 1232400 269.343 -192.917 65.9894 -100.159 322.292 54.9484 -50.2763 -25.7606 105.656 PRESSAVG: 1232400 3.06051 -0.603568 9.67632 -0.603635 -99.7453 -33.1309 9.67626 -33.1308 76.865 GPRESSAVG: 1232400 3.46136 -1.65822 9.79007 0.985664 -100.625 -33.0367 7.71715 -32.627 77.0635 TIMING: 1232400 CPU: 3707.14, 0.00308518/step Wall: 3707.14, 0.00308518/step, 3.22881 hours remaining, 208.015625 MB of memory in use. ENERGY: 1232400 736.2717 2126.0802 1924.1965 98.8971 -206192.1962 17997.6335 0.0000 0.0000 34305.4065 -149003.7108 299.5976 -183309.1173 -148904.5616 300.2884 201.5357 232.4305 557481.6778 -6.6066 -6.7001 PRESSURE: 1232600 29.0474 -67.8857 115.295 -67.8875 -414.331 -54.7957 115.294 -54.7949 -355.457 GPRESSURE: 1232600 21.7063 -74.1306 43.2904 -72.4327 -388.035 39.2814 181.062 -85.3731 -289.341 PRESSAVG: 1232600 20.5249 -3.29214 -14.5947 -3.29219 -21.5584 36.3905 -14.5947 36.3906 -13.6199 GPRESSAVG: 1232600 19.6791 -4.30768 -14.2668 -2.92526 -20.9972 37.2802 -14.0889 35.9426 -13.7377 TIMING: 1232600 CPU: 3707.75, 0.0030684/step Wall: 3707.75, 0.0030684/step, 3.21108 hours remaining, 208.476562 MB of memory in use. ENERGY: 1232600 766.8235 2115.4043 1938.5233 117.5947 -206065.5647 17543.5648 0.0000 0.0000 34554.4062 -149029.2479 301.7722 -183583.6541 -148926.2760 300.2372 -246.9138 -218.5565 557969.8823 -4.8845 -5.0186 PRESSURE: 1232800 58.5246 -39.0069 -141.167 -39.0065 -339.61 181.787 -141.167 181.787 -120.301 GPRESSURE: 1232800 63.8107 -3.67372 -1.53766 -53.4733 -287.338 238.848 -157.744 75.544 -85.2975 PRESSAVG: 1232800 -16.5805 0.379678 -11.0576 0.37966 -55.8978 47.1449 -11.0576 47.1448 53.8094 GPRESSAVG: 1232800 -15.9053 0.782428 -9.38578 -0.0251581 -56.1132 46.5737 -13.7348 48.0473 53.6261 TIMING: 1232800 CPU: 3708.36, 0.00304082/step Wall: 3708.36, 0.00304082/step, 3.18204 hours remaining, 208.476562 MB of memory in use. ENERGY: 1232800 716.5636 2202.6637 1907.6177 110.1855 -205867.7745 17481.0166 0.0000 0.0000 34318.0702 -149131.6570 299.7082 -183449.7273 -149033.2016 300.1713 -133.7954 -102.9417 559969.5541 -6.2230 -6.1308 PRESSURE: 1233000 49.0071 -16.1333 109.522 -16.1323 179.984 -236.646 109.522 -236.647 -81.3412 GPRESSURE: 1233000 109.914 -3.23282 49.2482 -111.729 178.361 -188.384 153.082 -291.541 -41.8003 PRESSAVG: 1233000 2.08833 -23.5153 14.5467 -23.5153 4.75297 36.2285 14.5467 36.2285 -29.6995 GPRESSAVG: 1233000 2.86978 -23.1371 14.6797 -23.3117 4.31039 36.5345 14.7484 35.0676 -30.5047 TIMING: 1233000 CPU: 3708.97, 0.00306115/step Wall: 3708.97, 0.00306115/step, 3.20315 hours remaining, 208.476562 MB of memory in use. ENERGY: 1233000 765.3862 2091.5484 1947.8995 107.3389 -206552.8134 18112.7268 0.0000 0.0000 34169.1941 -149358.7194 298.4081 -183527.9135 -149262.2331 299.2258 49.2166 82.1581 557839.9961 -7.6194 -7.7748 PRESSURE: 1233200 -96.589 -44.0573 13.9048 -44.0577 -46.9427 -238.955 13.9057 -238.954 -165.143 GPRESSURE: 1233200 -44.2462 -101.72 94.8352 12.4001 -6.27812 -134.728 -51.7822 -334.609 -152.49 PRESSAVG: 1233200 38.1068 2.46635 -32.173 2.46635 14.9431 -23.9249 -32.1729 -23.9249 -47.5118 GPRESSAVG: 1233200 37.2209 3.29737 -33.4615 2.06235 15.6348 -24.0072 -31.5246 -23.7727 -47.4883 TIMING: 1233200 CPU: 3709.58, 0.0030381/step Wall: 3709.58, 0.0030381/step, 3.17886 hours remaining, 208.476562 MB of memory in use. ENERGY: 1233200 753.5022 2169.5578 1911.3562 113.3863 -206224.4753 17803.7828 0.0000 0.0000 34138.2031 -149334.6869 298.1374 -183472.8899 -149242.7567 299.0877 -102.8915 -67.6713 558440.4389 1.8460 1.7891 PRESSURE: 1233400 -20.9429 -16.3718 49.6041 -16.3728 -51.3584 -182.025 49.6045 -182.024 394.044 GPRESSURE: 1233400 -48.8578 43.4211 108.944 -7.02813 34.7126 -96.9984 -58.6454 -199.197 424.546 PRESSAVG: 1233400 -18.7772 15.7693 -0.95439 15.7693 -50.1833 -58.4975 -0.954441 -58.4974 78.678 GPRESSAVG: 1233400 -17.6234 14.6194 -3.95805 16.1847 -52.6907 -57.3296 2.0771 -57.7333 79.2913 TIMING: 1233400 CPU: 3710.18, 0.00301251/step Wall: 3710.18, 0.00301251/step, 3.15192 hours remaining, 208.546875 MB of memory in use. ENERGY: 1233400 772.0664 2134.6469 1954.1444 111.1607 -206770.4835 18095.0997 0.0000 0.0000 34264.8751 -149438.4902 299.2437 -183703.3654 -149342.4637 299.4232 107.2474 136.8002 556324.9933 3.2391 2.9924 PRESSURE: 1233600 102.055 7.71871 -6.0045 7.71779 -98.4776 29.9316 -6.00453 29.9299 13.3488 GPRESSURE: 1233600 127.017 -19.3591 -77.5075 -15.2331 -36.1432 23.1962 35.0887 60.1265 18.0526 PRESSAVG: 1233600 -28.3369 -42.0987 20.192 -42.0988 44.6679 0.201136 20.1921 0.201096 16.3971 GPRESSAVG: 1233600 -29.9911 -42.1879 23.1945 -44.2162 46.7348 -2.56133 18.1793 0.432693 16.4441 TIMING: 1233600 CPU: 3710.79, 0.00302493/step Wall: 3710.79, 0.00302493/step, 3.16475 hours remaining, 208.546875 MB of memory in use. ENERGY: 1233600 771.1462 2151.1400 1929.3127 101.9734 -206716.2930 17908.6191 0.0000 0.0000 34318.7707 -149535.3309 299.7144 -183854.1015 -149431.7803 298.9846 5.6421 36.3090 555273.9419 10.9094 11.0626 PRESSURE: 1233800 -72.4144 50.8604 110.791 50.8598 52.0916 -59.2477 110.791 -59.2466 -55.1298 GPRESSURE: 1233800 -35.0145 28.3087 74.472 51.5172 80.7695 -18.3485 144.037 -80.6305 -17.0467 PRESSAVG: 1233800 -27.8042 34.4828 22.4918 34.4828 -37.3424 -21.2782 22.4918 -21.2783 44.1096 GPRESSAVG: 1233800 -27.3204 34.3822 20.3234 35.1528 -38.4239 -21.2148 23.1249 -20.6629 44.3086 TIMING: 1233800 CPU: 3711.39, 0.00303538/step Wall: 3711.39, 0.00303538/step, 3.17552 hours remaining, 208.546875 MB of memory in use. ENERGY: 1233800 761.9577 2169.7673 1933.4962 116.4116 -206352.1194 17589.8767 0.0000 0.0000 34356.7843 -149423.8256 300.0463 -183780.6099 -149327.6217 299.4693 -25.1509 9.5694 553479.1239 -7.0123 -7.1452 PRESSURE: 1234000 -110.161 -12.3585 -48.9591 -12.3592 -28.6748 99.5766 -48.9603 99.5753 68.5016 GPRESSURE: 1234000 -10.0578 37.4781 -11.2215 -60.1435 -44.0908 150.147 28.6282 145.913 87.7125 PRESSAVG: 1234000 -6.20865 -5.05308 24.7704 -5.05299 1.46009 2.86987 24.7704 2.86989 42.3202 GPRESSAVG: 1234000 -5.88733 -5.17256 25.8402 -6.58448 1.66214 4.05098 25.4472 2.26145 42.3638 TIMING: 1234000 CPU: 3712, 0.00302227/step Wall: 3712, 0.00302226/step, 3.16162 hours remaining, 208.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1234000 800.6462 2135.8406 1953.7643 113.4964 -206266.2927 17785.1240 0.0000 0.0000 33979.7399 -149497.6813 296.7535 -183477.4212 -149400.9210 299.0646 -23.4449 11.1880 556559.6589 12.5239 12.7129 PRESSURE: 1234200 -140.024 60.4092 -0.966878 60.4083 -52.6403 219.88 -0.966933 219.878 -439.754 GPRESSURE: 1234200 -70.3075 74.8095 18.7819 -0.871515 -59.3213 226.029 78.2965 121.598 -405.806 PRESSAVG: 1234200 52.3895 -39.6478 53.6386 -39.6478 6.95428 -17.1471 53.6386 -17.1471 -48.7672 GPRESSAVG: 1234200 52.3251 -39.5152 53.5283 -36.082 7.52241 -16.8743 53.1577 -17.5362 -49.1984 TIMING: 1234200 CPU: 3712.6, 0.00301024/step Wall: 3712.6, 0.00301024/step, 3.14888 hours remaining, 208.546875 MB of memory in use. ENERGY: 1234200 769.4264 2101.2481 1948.1039 114.9969 -206265.9012 17626.4577 0.0000 0.0000 34119.4424 -149586.2259 297.9736 -183705.6683 -149483.8118 298.7767 -210.8060 -178.4783 556929.9450 3.5255 3.5497 PRESSURE: 1234400 -311.87 -172.096 -23.1836 -172.095 -274.04 90.3785 -23.1825 90.3785 -189.971 GPRESSURE: 1234400 -312.057 -239.257 -14.8878 -175.071 -241.57 16.4756 -51.2718 84.6135 -122.624 PRESSAVG: 1234400 87.0066 -108.609 39.6546 -108.609 -23.3332 31.3146 39.6546 31.3148 -59.4156 GPRESSAVG: 1234400 85.3612 -108.233 41.8211 -112.191 -23.6088 31.2175 38.8315 28.6667 -57.8528 TIMING: 1234400 CPU: 3713.21, 0.00303917/step Wall: 3713.21, 0.00303917/step, 3.17898 hours remaining, 208.546875 MB of memory in use. ENERGY: 1234400 771.7979 2043.1358 1930.3448 118.5851 -206117.8592 17423.3204 0.0000 0.0000 34286.7909 -149543.8844 299.4351 -183830.6753 -149443.7347 298.8229 -258.6270 -225.4169 557095.9966 1.4193 1.2998 PRESSURE: 1234600 -103.001 -61.9278 33.4685 -61.929 -59.0405 -0.760059 33.4694 -0.759138 -110.298 GPRESSURE: 1234600 -110.762 -58.6758 56.5722 -112.348 -25.1042 -0.92161 66.2278 59.1376 -26.7483 PRESSAVG: 1234600 28.637 6.04733 22.0724 6.04734 0.579046 2.85776 22.0725 2.85779 2.83148 GPRESSAVG: 1234600 29.5001 3.83588 17.7885 8.09808 1.0149 3.32898 23.4529 7.27511 1.60157 TIMING: 1234600 CPU: 3713.81, 0.00301673/step Wall: 3713.81, 0.00301673/step, 3.15533 hours remaining, 208.546875 MB of memory in use. ENERGY: 1234600 741.4461 2185.6484 1945.1761 110.1163 -206326.3080 17833.8366 0.0000 0.0000 34295.6920 -149214.3926 299.5128 -183510.0846 -149127.2753 299.3697 -90.7799 -54.2049 558202.3014 10.6825 10.7055 PRESSURE: 1234800 -18.2389 43.0655 176.281 43.0658 -185.735 159.96 176.281 159.959 -131.846 GPRESSURE: 1234800 37.3161 5.29449 71.3531 58.722 -158.359 60.598 114.053 155.015 -117.739 PRESSAVG: 1234800 15.6638 11.5704 44.8565 11.5704 6.97809 -17.348 44.8566 -17.348 -23.673 GPRESSAVG: 1234800 16.7027 13.1791 46.1113 11.4653 6.58509 -18.4215 42.7768 -18.9863 -24.057 TIMING: 1234800 CPU: 3714.41, 0.00301373/step Wall: 3714.41, 0.00301373/step, 3.15202 hours remaining, 208.546875 MB of memory in use. ENERGY: 1234800 724.8404 2075.0001 1928.5451 125.7870 -205835.4368 17577.4635 0.0000 0.0000 34251.6818 -149152.1189 299.1285 -183403.8007 -149045.9365 299.4447 -111.9400 -79.5937 558345.1686 -0.3437 -0.2564 PRESSURE: 1235000 -28.5603 70.429 -124.885 70.4313 -125.071 -19.9542 -124.884 -19.9546 -176.718 GPRESSURE: 1235000 -46.398 65.2968 -189.84 155.149 -94.5451 -37.4207 -92.1275 -36.3788 -76.9226 PRESSAVG: 1235000 26.3088 12.233 44.8791 12.233 3.28903 -29.3872 44.8791 -29.3871 -31.7865 GPRESSAVG: 1235000 25.1588 11.5506 45.4589 10.8701 4.6273 -31.5752 47.7266 -28.3522 -31.1423 TIMING: 1235000 CPU: 3715.02, 0.00301468/step Wall: 3715.02, 0.00301468/step, 3.15285 hours remaining, 208.546875 MB of memory in use. ENERGY: 1235000 734.2725 2107.6034 1950.3839 112.7171 -205981.7145 17678.7455 0.0000 0.0000 34222.7389 -149175.2532 298.8757 -183397.9921 -149077.2090 299.5116 -110.1164 -72.6219 557005.4814 -0.7295 -0.4521 PRESSURE: 1235200 -9.12449 49.575 104.133 49.5753 174.104 -5.0154 104.134 -5.01591 -58.2503 GPRESSURE: 1235200 57.5727 16.3756 242.262 57.8288 180.995 -91.6013 106.124 64.2574 -25.1327 PRESSAVG: 1235200 9.96033 1.3891 16.4561 1.38912 0.669949 -47.3632 16.4561 -47.3633 -3.69011 GPRESSAVG: 1235200 10.6538 2.33115 17.5173 1.81525 -0.734508 -45.2662 15.0888 -46.9914 -3.11027 TIMING: 1235200 CPU: 3715.63, 0.00304783/step Wall: 3715.63, 0.00304783/step, 3.18736 hours remaining, 208.546875 MB of memory in use. ENERGY: 1235200 744.2070 2051.3277 1958.9726 112.0745 -206274.6066 17936.6072 0.0000 0.0000 34307.2039 -149164.2138 299.6133 -183471.4176 -149070.6127 298.9018 35.5763 71.1449 558092.1303 2.3134 2.2697 PRESSURE: 1235400 -94.6334 59.3145 -150.912 59.3148 -165.785 -59.1329 -150.912 -59.1332 -203.463 GPRESSURE: 1235400 -5.37085 15.1654 -185.138 145.804 -185.1 -90.2726 -63.4538 -31.4854 -178.143 PRESSAVG: 1235400 -40.1821 24.9372 3.09678 24.9373 -20.1588 -46.8762 3.09677 -46.8762 15.6968 GPRESSAVG: 1235400 -40.2572 26.6105 2.4648 25.4162 -20.9328 -45.9532 3.83457 -47.3019 16.3988 TIMING: 1235400 CPU: 3716.24, 0.00306781/step Wall: 3716.24, 0.00306781/step, 3.20807 hours remaining, 208.546875 MB of memory in use. ENERGY: 1235400 807.5629 2120.5101 1956.1858 114.1010 -206182.8279 17739.6273 0.0000 0.0000 34283.0937 -149161.7472 299.4028 -183444.8408 -149075.0431 299.4954 -154.6274 -122.8711 557289.2842 -14.8814 -14.9304 PRESSURE: 1235600 207.93 -14.0169 -84.8075 -14.0176 280.095 -63.3836 -84.807 -63.386 -80.2393 GPRESSURE: 1235600 224.783 72.1116 8.04736 -110.37 331.007 -127.403 -71.2242 -94.9881 -55.7927 PRESSAVG: 1235600 -71.4853 5.52155 27.3367 5.52154 96.3684 -9.85297 27.3368 -9.85294 -49.6521 GPRESSAVG: 1235600 -70.6107 5.23917 30.1083 4.83812 96.1793 -10.6045 25.1891 -10.0706 -50.0564 TIMING: 1235600 CPU: 3716.84, 0.00302677/step Wall: 3716.84, 0.00302677/step, 3.165 hours remaining, 208.546875 MB of memory in use. ENERGY: 1235600 733.0950 2078.0574 1931.5000 108.8414 -206545.6776 18047.8943 0.0000 0.0000 34431.5866 -149214.7031 300.6996 -183646.2897 -149115.8812 299.7773 135.9285 166.6658 556913.4232 -8.2563 -8.1626 PRESSURE: 1235800 -24.376 -32.7678 -199.187 -32.7675 -126.908 -88.5799 -199.187 -88.5791 -160.624 GPRESSURE: 1235800 10.6045 -38.351 -131.186 -25.8175 -62.7046 -98.0603 -150.43 -33.5921 -150.034 PRESSAVG: 1235800 -4.72529 -4.53946 -35.5873 -4.53945 68.2475 45.6827 -35.5873 45.6827 -31.0754 GPRESSAVG: 1235800 -5.80187 -5.22739 -38.6137 -4.82434 69.9536 46.2292 -32.9484 45.4044 -31.5999 TIMING: 1235800 CPU: 3717.45, 0.00303345/step Wall: 3717.45, 0.00303345/step, 3.17181 hours remaining, 208.546875 MB of memory in use. ENERGY: 1235800 717.4925 2076.5933 1934.4121 117.4371 -205946.0952 17667.6902 0.0000 0.0000 34106.8369 -149325.6330 297.8635 -183432.4699 -149228.8112 299.2095 -103.9692 -67.3780 558532.1919 10.8156 10.8506 PRESSURE: 1236000 -251.858 -62.1979 107.768 -62.1965 -304.048 -78.0967 107.769 -78.0958 -109.251 GPRESSURE: 1236000 -210.784 -149.594 98.2723 -40.6422 -240.38 -166.777 60.2291 -23.0786 -113.242 PRESSAVG: 1236000 -5.00754 -24.7286 -5.19711 -24.7287 -1.79604 7.33937 -5.19715 7.33938 -63.573 GPRESSAVG: 1236000 -3.90062 -27.0921 -3.67326 -23.0005 -2.54238 7.9904 -9.30583 5.92032 -63.6207 TIMING: 1236000 CPU: 3718.06, 0.00303409/step Wall: 3718.06, 0.00303409/step, 3.17231 hours remaining, 208.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1236000 740.3615 2040.1708 1933.7086 111.4678 -205934.4590 17458.4290 0.0000 0.0000 34397.7145 -149252.6067 300.4038 -183650.3212 -149161.9607 298.8812 -221.7190 -188.1352 558265.2099 -23.4589 -23.3546 PRESSURE: 1236200 -137.821 -89.5986 -100.091 -89.5984 -207.432 -7.28276 -100.092 -7.28127 -277.868 GPRESSURE: 1236200 -88.7985 -68.0547 -134.859 -186.189 -225.036 -94.6994 -31.2194 17.3293 -207.328 PRESSAVG: 1236200 -66.8166 51.9327 -1.82437 51.9327 6.68303 -45.3347 -1.82437 -45.3347 50.0524 GPRESSAVG: 1236200 -67.0613 53.2679 -3.6764 52.8012 6.85097 -46.4899 1.79739 -43.6982 49.2876 TIMING: 1236200 CPU: 3718.66, 0.00303008/step Wall: 3718.66, 0.00303008/step, 3.16795 hours remaining, 208.546875 MB of memory in use. ENERGY: 1236200 770.3424 2036.8171 1943.8932 106.4562 -205808.9544 17489.4329 0.0000 0.0000 34102.8050 -149359.2074 297.8283 -183462.0125 -149267.2914 298.9617 -207.7068 -173.7209 558215.3874 -3.3604 -3.6409 LDB: ============= START OF LOAD BALANCING ============== 3722.18 LDB: ============== END OF LOAD BALANCING =============== 3722.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3722.18 LDB: ============= START OF LOAD BALANCING ============== 3722.49 LDB: Largest compute 4795 load 0.025826 is 21.9% of average load 0.117956 LDB: Average compute 0.001746 is 1.5% of average load 0.117956 LDB: TIME 3722.49 LOAD: AVG 0.117956 MAX 0.214199 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.016 MB LDB: TIME 3722.49 LOAD: AVG 0.117956 MAX 0.214199 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.016 MB LDB: TIME 3722.49 LOAD: AVG 0.117956 MAX 0.214199 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.016 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3722.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3722.49 PRESSURE: 1236400 47.0162 15.2275 4.54543 15.2274 294.241 -140.458 4.5467 -140.459 248.187 GPRESSURE: 1236400 109.353 13.1683 -34.5063 32.1502 323.558 -104.082 -20.5324 -188.587 254.013 PRESSAVG: 1236400 13.6015 20.7477 45.5594 20.7478 7.83359 -75.206 45.5593 -75.2061 10.6629 GPRESSAVG: 1236400 13.0219 20.2952 44.983 18.5349 7.98948 -72.7655 43.3658 -76.9786 11.5494 TIMING: 1236400 CPU: 3719.28, 0.00307033/step Wall: 3719.28, 0.00307033/step, 3.20986 hours remaining, 207.042969 MB of memory in use. ENERGY: 1236400 763.1046 2128.8016 1951.9355 109.2606 -206460.0147 18125.7909 0.0000 0.0000 34184.3608 -149196.7608 298.5405 -183381.1216 -149107.1498 299.2460 196.4815 228.9744 556173.9846 10.6993 10.8536 PRESSURE: 1236600 -286.069 150.661 -61.385 150.66 97.8407 -111.421 -61.3837 -111.419 -89.1957 GPRESSURE: 1236600 -226.444 129.458 -45.1646 165.839 190.941 -138.797 -50.6393 -131.093 -145.098 PRESSAVG: 1236600 -49.6921 -9.05911 -30.5733 -9.05913 13.3799 -18.8539 -30.5733 -18.854 7.05231 GPRESSAVG: 1236600 -50.3773 -7.46906 -33.2457 -9.01775 14.0547 -21.8782 -27.5998 -16.6081 6.88299 TIMING: 1236600 CPU: 3719.88, 0.0030192/step Wall: 3719.88, 0.0030192/step, 3.15624 hours remaining, 207.246094 MB of memory in use. ENERGY: 1236600 750.6270 2067.6646 1948.3971 117.9512 -206220.0758 17818.8062 0.0000 0.0000 34229.3339 -149287.2958 298.9333 -183516.6297 -149194.5743 298.9040 -92.4748 -60.2001 557171.1678 -9.7533 -9.8132 PRESSURE: 1236800 311.346 -159.967 144.516 -159.967 114.138 -22.7931 144.516 -22.7944 165.628 GPRESSURE: 1236800 331.382 -198.2 75.4475 -129.973 152.451 -97.449 148.058 -60.0503 214.869 PRESSAVG: 1236800 -29.5055 -45.1172 -30.3549 -45.1171 28.1473 26.3208 -30.3548 26.3209 -10.3802 GPRESSAVG: 1236800 -29.9795 -46.1588 -27.2255 -44.3888 27.3423 28.5422 -29.7689 24.9059 -8.69538 TIMING: 1236800 CPU: 3720.48, 0.00300336/step Wall: 3720.48, 0.00300336/step, 3.13952 hours remaining, 207.246094 MB of memory in use. ENERGY: 1236800 733.3836 2102.1415 1927.5057 105.8575 -206473.6059 18016.8971 0.0000 0.0000 34331.2684 -149256.5521 299.8235 -183587.8205 -149167.6759 299.5780 197.0374 232.9007 555725.5399 -3.9128 -3.7775 PRESSURE: 1237000 42.812 61.2829 -85.1762 61.2841 -18.1949 -25.1621 -85.1763 -25.1623 -37.4114 GPRESSURE: 1237000 55.9891 57.4041 -129.489 45.3358 12.4129 -5.52974 -112.115 -37.1576 12.6492 PRESSAVG: 1237000 -3.62579 -27.5138 -16.6705 -27.5137 0.506388 -0.366349 -16.6705 -0.366358 2.07808 GPRESSAVG: 1237000 -2.38642 -27.5337 -19.3156 -27.5204 0.483564 -0.640891 -16.6899 1.86623 1.09335 TIMING: 1237000 CPU: 3721.08, 0.00298736/step Wall: 3721.08, 0.00298736/step, 3.12262 hours remaining, 207.246094 MB of memory in use. ENERGY: 1237000 716.1043 2055.6167 1957.1801 126.6455 -206163.6487 17817.1340 0.0000 0.0000 34131.9832 -149358.9849 298.0831 -183490.9681 -149261.0157 298.6799 -4.2648 27.0170 556209.2233 -0.3471 -0.2698 PRESSURE: 1237200 -95.7953 70.1395 66.635 70.1405 136.789 -48.5651 66.6343 -48.5668 -91.7329 GPRESSURE: 1237200 -4.0249 128.941 118.338 13.6348 123.286 -70.1156 121.629 -32.348 -82.0822 PRESSAVG: 1237200 -33.1656 -21.746 7.22773 -21.746 63.0541 18.9287 7.22767 18.9287 -14.396 GPRESSAVG: 1237200 -32.9902 -20.5165 8.31478 -22.3836 64.1352 20.0712 5.16266 17.0094 -15.378 TIMING: 1237200 CPU: 3721.68, 0.00301737/step Wall: 3721.68, 0.00301737/step, 3.15383 hours remaining, 207.246094 MB of memory in use. ENERGY: 1237200 740.8411 2050.1263 1930.7351 101.0044 -206043.5715 17710.0098 0.0000 0.0000 34321.5309 -149189.3239 299.7385 -183510.8548 -149097.5742 299.4488 -16.9131 12.3929 556290.4686 5.1642 5.2557 PRESSURE: 1237400 -50.0842 81.4759 -4.55172 81.4768 -46.0814 2.97896 -4.552 2.98045 -41.4573 GPRESSURE: 1237400 -51.7916 193.73 -17.4582 33.2841 -17.868 41.3271 53.0769 22.1698 30.0023 PRESSAVG: 1237400 -6.37771 43.5319 27.8542 43.5319 26.7636 -39.8622 27.8541 -39.8621 9.11825 GPRESSAVG: 1237400 -7.66991 43.3186 29.874 42.0571 26.604 -43.061 26.8228 -37.6423 10.7163 TIMING: 1237400 CPU: 3722.28, 0.0029987/step Wall: 3722.28, 0.0029987/step, 3.13414 hours remaining, 207.246094 MB of memory in use. ENERGY: 1237400 745.8056 2050.8054 1966.5845 105.4780 -205970.1621 17734.2003 0.0000 0.0000 34182.9913 -149184.2969 298.5286 -183367.2882 -149092.9408 299.2790 -45.8743 -13.2191 556616.4242 9.8347 9.8835 PRESSURE: 1237600 67.9836 -22.841 79.1219 -22.8439 230.669 82.6826 79.1214 82.6832 -19.5636 GPRESSURE: 1237600 86.7305 -44.7953 71.1639 -61.5134 282.56 25.8242 25.9129 3.56486 10.9631 PRESSAVG: 1237600 -33.1079 20.3127 -36.1219 20.3127 -31.1464 -30.2837 -36.122 -30.2838 39.9585 GPRESSAVG: 1237600 -31.133 19.1739 -37.0905 21.867 -31.2865 -29.834 -36.3489 -32.6936 38.4284 TIMING: 1237600 CPU: 3722.88, 0.00300278/step Wall: 3722.88, 0.00300278/step, 3.13824 hours remaining, 207.246094 MB of memory in use. ENERGY: 1237600 710.0708 2024.8200 1950.3441 114.9136 -206163.2758 17968.4517 0.0000 0.0000 34310.2331 -149084.4423 299.6398 -183394.6755 -148983.6701 298.4257 93.0298 126.7514 557947.8493 -8.0986 -7.9970 PRESSURE: 1237800 -304.755 72.246 48.676 72.2468 -125.135 130.522 48.6753 130.522 -310.261 GPRESSURE: 1237800 -221.509 25.696 18.2412 120.082 -128.315 66.2248 21.7333 168.635 -293.891 PRESSAVG: 1237800 -1.59725 -19.6311 18.1674 -19.631 36.7154 -23.0826 18.1674 -23.0825 16.8658 GPRESSAVG: 1237800 -3.55652 -21.6126 19.6597 -18.6959 36.5422 -21.9559 19.3246 -22.3115 19.0461 TIMING: 1237800 CPU: 3723.48, 0.00300483/step Wall: 3723.48, 0.00300483/step, 3.14021 hours remaining, 207.246094 MB of memory in use. ENERGY: 1237800 723.0035 2093.2624 1977.8769 106.1776 -205838.6945 17442.3104 0.0000 0.0000 34366.3030 -149129.7607 300.1295 -183496.0637 -149039.6518 299.2528 -246.7171 -214.5715 557853.5630 17.3280 17.3439 PRESSURE: 1238000 -90.2866 64.521 56.3427 64.5215 0.525635 -27.7536 56.3435 -27.7536 -81.5315 GPRESSURE: 1238000 -8.62591 76.2029 -43.4072 -0.341302 1.45922 -25.5098 115.332 -85.0686 -63.986 PRESSAVG: 1238000 -53.7391 -30.7296 31.3232 -30.7295 30.3941 -6.11513 31.3232 -6.11514 59.1451 GPRESSAVG: 1238000 -53.273 -29.3818 30.8584 -32.8889 29.6275 -6.47874 31.3339 -5.58786 59.6992 TIMING: 1238000 CPU: 3724.09, 0.00300533/step Wall: 3724.09, 0.00300533/step, 3.14057 hours remaining, 207.246094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1238000 748.9243 2011.2749 1956.1744 128.3301 -205988.8243 17710.7349 0.0000 0.0000 34302.3525 -149131.0332 299.5710 -183433.3857 -149034.8777 299.5404 -57.0975 -23.7176 557680.1360 11.9334 12.0179 PRESSURE: 1238200 35.0602 100.124 -76.1919 100.123 -144.75 110.856 -76.1915 110.857 161.596 GPRESSURE: 1238200 114.207 94.0455 -85.3623 69.6792 -152.777 136.031 -72.7331 130.09 182.214 PRESSAVG: 1238200 9.32333 11.9431 -30.8105 11.9431 -18.9457 63.9119 -30.8106 63.9119 -1.6111 GPRESSAVG: 1238200 9.29373 11.8464 -30.6525 13.0415 -19.381 63.3679 -31.9782 63.8883 -1.29463 TIMING: 1238200 CPU: 3724.69, 0.00299867/step Wall: 3724.69, 0.00299867/step, 3.13345 hours remaining, 207.246094 MB of memory in use. ENERGY: 1238200 765.2566 2053.5354 1929.6498 102.0758 -206060.2103 17820.1056 0.0000 0.0000 34230.4476 -149159.1394 298.9430 -183389.5870 -149063.7237 298.9415 17.3018 47.8811 558276.7638 -3.7445 -3.7940 PRESSURE: 1238400 -186.953 -250.356 10.6809 -250.355 -124.678 116.093 10.6807 116.094 296.197 GPRESSURE: 1238400 -104.262 -215.701 78.582 -235.848 -131.23 -22.7038 -86.2948 108.365 323.934 PRESSAVG: 1238400 -7.23377 -47.6683 -9.59924 -47.6684 -7.55618 59.3917 -9.59925 59.3917 18.8261 GPRESSAVG: 1238400 -7.50253 -46.2926 -10.5938 -47.8746 -5.49122 58.4196 -8.93187 58.8403 16.8274 TIMING: 1238400 CPU: 3725.29, 0.00303235/step Wall: 3725.29, 0.00303235/step, 3.16847 hours remaining, 207.246094 MB of memory in use. ENERGY: 1238400 759.9701 2027.0599 1933.7467 109.8872 -205954.8015 17798.4233 0.0000 0.0000 34332.5754 -148993.1389 299.8349 -183325.7143 -148894.4336 299.3579 -5.1448 29.4803 557735.6674 1.3454 1.2779 PRESSURE: 1238600 -104.229 83.7762 9.25226 83.7769 -251.784 -152.348 9.25379 -152.349 3.78944 GPRESSURE: 1238600 -153.362 113.678 32.2571 85.1133 -208.873 -172.012 29.6717 -127.364 112.213 PRESSAVG: 1238600 39.1328 11.5036 -23.6963 11.5036 -56.0539 -23.8104 -23.6963 -23.8104 62.0105 GPRESSAVG: 1238600 38.4918 11.2424 -21.5817 10.7726 -55.4634 -22.6485 -25.5202 -22.8605 62.3589 TIMING: 1238600 CPU: 3725.9, 0.00302669/step Wall: 3725.9, 0.00302669/step, 3.16238 hours remaining, 207.246094 MB of memory in use. ENERGY: 1238600 784.8605 2094.0369 1917.4788 105.2253 -206336.0081 17878.8936 0.0000 0.0000 34564.3236 -148991.1894 301.8588 -183555.5130 -148889.0925 300.0763 -117.4077 -83.3406 558831.2237 15.0298 15.1291 PRESSURE: 1238800 14.3758 93.8407 -98.8296 93.8414 -273.35 -94.6731 -98.8313 -94.673 -83.795 GPRESSURE: 1238800 79.7233 88.5307 -133.427 125.287 -213.436 -142.541 -22.0065 13.9641 -119.82 PRESSAVG: 1238800 17.9318 0.354558 3.74456 0.354614 -26.9878 -58.7979 3.74458 -58.7977 -1.65685 GPRESSAVG: 1238800 19.3609 -0.333854 3.99414 1.72463 -27.5194 -56.9035 5.10146 -60.2051 -2.77768 TIMING: 1238800 CPU: 3726.5, 0.00303271/step Wall: 3726.5, 0.00303271/step, 3.1685 hours remaining, 207.246094 MB of memory in use. ENERGY: 1238800 756.2503 2140.4740 1957.2900 115.0561 -206129.9045 17693.3277 0.0000 0.0000 34417.6805 -149049.8259 300.5782 -183467.5064 -148957.1322 300.5382 -114.2565 -84.5106 558659.9077 -3.5709 -3.6454 PRESSURE: 1239000 -98.1302 -44.4036 -128.209 -44.4033 -7.69557 64.7209 -128.208 64.7198 -130.289 GPRESSURE: 1239000 -69.1642 -21.9042 -88.4149 -7.81636 57.7683 58.6397 -102.142 42.6582 -114.052 PRESSAVG: 1239000 -31.4263 -36.0635 4.08245 -36.0635 27.0935 -68.6503 4.08249 -68.6502 23.7215 GPRESSAVG: 1239000 -31.0926 -35.1861 3.5483 -36.9477 26.6106 -68.5844 2.47394 -69.7309 24.0971 TIMING: 1239000 CPU: 3727.11, 0.00301604/step Wall: 3727.11, 0.00301604/step, 3.15092 hours remaining, 207.246094 MB of memory in use. ENERGY: 1239000 746.5183 2115.9642 1943.4708 109.3152 -206218.4148 17866.3985 0.0000 0.0000 34232.3125 -149204.4353 298.9593 -183436.7478 -149107.7920 300.3907 -78.7050 -41.8160 559274.3592 6.4629 6.5384 PRESSURE: 1239200 -240.7 115.12 46.4405 115.12 219.558 156.132 46.4397 156.132 189.441 GPRESSURE: 1239200 -256.116 32.4868 127.254 111.344 248.692 164.392 3.94104 210.084 252.831 PRESSAVG: 1239200 -24.0378 -29.3454 37.143 -29.3454 21.0097 -14.4463 37.143 -14.4463 0.923596 GPRESSAVG: 1239200 -24.8462 -30.9723 36.9008 -28.9704 21.045 -15.7718 38.9277 -12.3919 1.49048 TIMING: 1239200 CPU: 3727.71, 0.0030306/step Wall: 3727.71, 0.0030306/step, 3.16597 hours remaining, 207.246094 MB of memory in use. ENERGY: 1239200 738.3758 2080.1780 1949.1469 111.6343 -206320.3355 17899.1219 0.0000 0.0000 34358.6484 -149183.2301 300.0626 -183541.8785 -149088.5244 300.2395 56.0995 81.8025 557749.3424 -0.7015 -0.7702 PRESSURE: 1239400 -156.224 -278.494 52.0434 -278.493 -40.6059 100.02 52.0439 100.019 121.127 GPRESSURE: 1239400 -86.239 -259.99 28.0281 -266.547 36.945 166.825 73.1414 52.2459 71.1517 PRESSAVG: 1239400 -33.5748 -13.062 27.0877 -13.062 21.2721 28.8712 27.0878 28.8711 -3.04565 GPRESSAVG: 1239400 -33.5087 -12.311 25.4009 -13.6885 20.3103 28.1274 27.4282 27.9087 -1.70236 TIMING: 1239400 CPU: 3728.32, 0.00303042/step Wall: 3728.32, 0.00303042/step, 3.16561 hours remaining, 207.246094 MB of memory in use. ENERGY: 1239400 755.4273 2125.8657 1950.4923 128.1887 -206263.2218 17843.5507 0.0000 0.0000 34395.0779 -149064.6192 300.3808 -183459.6970 -148974.8138 299.9917 -25.2344 7.2859 557472.5040 -5.1161 -4.9669 PRESSURE: 1239600 -155.299 -22.891 128.747 -22.8929 -200.979 -63.8709 128.747 -63.869 124.837 GPRESSURE: 1239600 -84.8825 -66.5291 110.084 -2.02948 -156.314 -74.1834 128.686 -111.438 96.8868 PRESSAVG: 1239600 -17.4234 -20.6456 26.3597 -20.6456 46.8158 38.6693 26.3596 38.6692 2.03287 GPRESSAVG: 1239600 -16.7612 -20.2131 27.666 -20.5313 47.6465 40.643 29.2676 39.1866 0.627023 TIMING: 1239600 CPU: 3728.92, 0.00300111/step Wall: 3728.92, 0.00300111/step, 3.13483 hours remaining, 207.246094 MB of memory in use. ENERGY: 1239600 739.5560 2090.2851 1927.6809 115.5109 -205951.8040 17529.4954 0.0000 0.0000 34406.6813 -149142.5943 300.4821 -183549.2756 -149047.5644 299.9339 -77.1469 -48.1031 556120.3164 10.4751 10.5041 PRESSURE: 1239800 261.414 -160.588 113.611 -160.588 -82.9453 101.587 113.611 101.586 -126.854 GPRESSURE: 1239800 225.684 -150.788 113.007 -132.685 -30.4589 164.655 138.759 89.1192 -55.8709 PRESSAVG: 1239800 -70.0327 -97.4628 19.9624 -97.4628 94.3108 34.9295 19.9625 34.9294 -1.06735 GPRESSAVG: 1239800 -68.8989 -96.6213 19.2684 -99.3696 93.1157 32.5937 16.974 35.6514 -1.57215 TIMING: 1239800 CPU: 3729.53, 0.00305279/step Wall: 3729.53, 0.00305279/step, 3.18864 hours remaining, 207.246094 MB of memory in use. ENERGY: 1239800 713.8715 2089.1971 1950.0608 113.3359 -205989.7762 17736.2691 0.0000 0.0000 34107.8024 -149279.2393 297.8719 -183387.0417 -149181.6681 299.5818 17.2047 46.4513 557762.8684 7.7369 7.5482 PRESSURE: 1240000 -118.944 -60.4499 -61.1792 -60.4498 -114.384 -0.577718 -61.1785 -0.575965 9.45614 GPRESSURE: 1240000 -120.547 -112.106 -71.5174 -62.0714 -51.5266 -44.9354 -34.4919 -7.24705 38.4188 PRESSAVG: 1240000 -21.2443 -28.2115 36.6146 -28.2115 32.4091 26.0983 36.6146 26.0983 43.9572 GPRESSAVG: 1240000 -22.8165 -28.0604 38.5917 -27.7079 33.7768 27.0998 37.3675 27.2972 44.1942 TIMING: 1240000 CPU: 3730.14, 0.00305529/step Wall: 3730.14, 0.00305529/step, 3.19108 hours remaining, 207.246094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1240000 734.4169 2117.5951 1915.2740 110.4942 -205898.1339 17614.7484 0.0000 0.0000 34021.5516 -149384.0538 297.1187 -183405.6054 -149290.0796 299.7037 -74.6240 -44.5517 557044.9038 18.3740 18.3849 PRESSURE: 1240200 -223.5 18.9976 -3.63057 18.9979 238.748 28.5794 -3.63048 28.58 193.172 GPRESSURE: 1240200 -177.439 -0.419514 6.49821 64.2054 236.836 51.7561 5.9197 9.72032 253.106 PRESSAVG: 1240200 -23.2595 -0.894759 -0.440784 -0.89478 -7.17499 9.74359 -0.440817 9.74342 36.1523 GPRESSAVG: 1240200 -22.5339 -1.65343 -0.0882101 0.744436 -7.45579 10.7985 -0.869321 6.94024 35.82 TIMING: 1240200 CPU: 3730.75, 0.00302227/step Wall: 3730.75, 0.00302227/step, 3.15643 hours remaining, 207.246094 MB of memory in use. ENERGY: 1240200 742.8436 2138.9988 1916.1045 110.2448 -206520.4141 17974.4752 0.0000 0.0000 34318.4471 -149319.3001 299.7115 -183637.7473 -149223.8528 299.1918 69.4731 104.1678 556499.3697 1.9059 1.9435 LDB: ============= START OF LOAD BALANCING ============== 3734.27 LDB: ============== END OF LOAD BALANCING =============== 3734.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3734.27 LDB: ============= START OF LOAD BALANCING ============== 3734.57 LDB: Largest compute 4795 load 0.025706 is 21.8% of average load 0.117902 LDB: Average compute 0.001754 is 1.5% of average load 0.117902 LDB: TIME 3734.58 LOAD: AVG 0.117902 MAX 0.216654 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.27 MB LDB: TIME 3734.58 LOAD: AVG 0.117902 MAX 0.216654 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.473 MB LDB: TIME 3734.58 LOAD: AVG 0.117902 MAX 0.216654 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.473 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3734.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3734.58 PRESSURE: 1240400 -132.198 17.3547 40.4922 17.3547 -99.7562 -105.506 40.4913 -105.506 -256.587 GPRESSURE: 1240400 -72.6616 134.509 -63.9226 10.2299 -99.644 -180.666 161.808 -75.1742 -229.309 PRESSAVG: 1240400 -35.6292 10.5637 52.6883 10.5637 55.3527 27.2653 52.6883 27.2652 19.164 GPRESSAVG: 1240400 -36.2594 12.9771 51.2959 9.38507 55.1607 26.4268 53.1512 28.3623 19.9413 TIMING: 1240400 CPU: 3731.37, 0.00310422/step Wall: 3731.37, 0.00310422/step, 3.24184 hours remaining, 208.015625 MB of memory in use. ENERGY: 1240400 780.5967 2095.5249 1913.9948 122.8301 -205984.7953 17731.1349 0.0000 0.0000 33994.1303 -149346.5835 296.8792 -183340.7139 -149252.6804 299.0494 -162.8471 -133.8714 558941.1363 12.9625 12.9475 PRESSURE: 1240600 -59.9734 -80.3652 137.371 -80.3657 -134.363 -1.55402 137.371 -1.55373 4.74224 GPRESSURE: 1240600 7.53084 -145.73 178.293 -16.2562 -139.448 49.443 145.615 -2.11371 19.9367 PRESSAVG: 1240600 -56.3839 -20.4048 -12.9526 -20.4049 4.21069 -1.34435 -12.9526 -1.34438 22.7401 GPRESSAVG: 1240600 -55.392 -20.6172 -13.0778 -22.2391 3.31421 -1.25369 -12.5294 0.146184 22.6938 TIMING: 1240600 CPU: 3731.97, 0.00302529/step Wall: 3731.97, 0.00302529/step, 3.15924 hours remaining, 208.015625 MB of memory in use. ENERGY: 1240600 723.3817 2068.9949 1937.9060 107.0208 -205964.9243 17656.5612 0.0000 0.0000 34114.3214 -149356.7384 297.9289 -183471.0597 -149255.8674 298.3949 -63.1979 -37.3269 559166.7937 -9.8111 -9.7947 PRESSURE: 1240800 -141.964 -11.6449 42.004 -11.6463 -73.1827 78.2875 42.0039 78.2893 -149.956 GPRESSURE: 1240800 -99.9637 -72.122 -21.1274 -61.814 -1.81786 2.53363 6.47154 9.65028 -159.39 PRESSAVG: 1240800 -84.7038 -2.49591 12.1414 -2.49604 30.6449 50.7488 12.1415 50.7488 79.5532 GPRESSAVG: 1240800 -85.1994 -3.21792 12.5899 0.0604662 30.1295 52.7095 10.2366 47.8394 80.7904 TIMING: 1240800 CPU: 3732.58, 0.00302322/step Wall: 3732.58, 0.00302322/step, 3.15691 hours remaining, 208.015625 MB of memory in use. ENERGY: 1240800 763.3733 2096.7052 1939.2126 126.9196 -206367.5136 17750.8957 0.0000 0.0000 34319.8864 -149370.5206 299.7241 -183690.4071 -149267.0357 299.0576 -121.7009 -87.0571 556964.3414 8.4981 8.5735 PRESSURE: 1241000 26.4824 -110.882 -123.251 -110.882 43.211 17.4208 -123.251 17.4207 16.5 GPRESSURE: 1241000 137.456 -66.3966 -123.616 -112.177 37.3572 36.0544 -148.749 78.9156 8.57133 PRESSAVG: 1241000 -64.0053 -73.6872 -7.72191 -73.6871 -3.55058 11.4188 -7.72189 11.4188 65.6955 GPRESSAVG: 1241000 -63.7811 -73.876 -7.12071 -73.839 -3.71844 8.87979 -8.13928 13.6366 64.8531 TIMING: 1241000 CPU: 3733.17, 0.00298835/step Wall: 3733.17, 0.00298835/step, 3.12033 hours remaining, 208.015625 MB of memory in use. ENERGY: 1241000 727.8576 2103.6358 1970.4722 102.0230 -206239.9591 17811.2072 0.0000 0.0000 34404.6398 -149120.1236 300.4643 -183524.7633 -149024.5697 299.1718 28.7311 61.1281 556765.1135 -0.6201 -0.8821 PRESSURE: 1241200 -19.6471 -97.9663 199.388 -97.9677 -48.2466 113.35 199.389 113.348 -87.9343 GPRESSURE: 1241200 -12.8213 -71.0873 216.277 -120.147 9.49392 51.6208 175.408 105.529 -42.2298 PRESSAVG: 1241200 -14.391 -5.13728 -52.3564 -5.13728 12.6941 -31.051 -52.3564 -31.051 25.3627 GPRESSAVG: 1241200 -15.0175 -4.5535 -53.4141 -6.27961 13.7363 -29.6681 -51.2163 -31.8749 25.1039 TIMING: 1241200 CPU: 3733.77, 0.00298034/step Wall: 3733.77, 0.00298034/step, 3.11181 hours remaining, 208.015625 MB of memory in use. ENERGY: 1241200 738.4892 2081.5235 1933.0847 113.5303 -206054.3226 17876.2427 0.0000 0.0000 34278.7971 -149032.6551 299.3653 -183311.4522 -148934.4449 299.2259 -51.9427 -15.1857 559680.4823 7.8886 7.9409 PRESSURE: 1241400 -31.3092 115.261 72.6831 115.261 207.642 84.3706 72.6815 84.3693 -95.342 GPRESSURE: 1241400 37.3844 137.649 104.948 84.6295 190.558 94.4073 65.7466 121.519 -43.1749 PRESSAVG: 1241400 37.2593 43.2321 -14.1005 43.2321 -109.069 -23.254 -14.1006 -23.2541 51.5523 GPRESSAVG: 1241400 38.4301 44.3081 -14.2488 44.3208 -110.365 -24.2632 -12.88 -22.3453 51.4296 TIMING: 1241400 CPU: 3734.37, 0.00299513/step Wall: 3734.37, 0.00299513/step, 3.12708 hours remaining, 208.015625 MB of memory in use. ENERGY: 1241400 741.6978 2050.7516 1956.6174 113.2345 -206269.8267 17954.4344 0.0000 0.0000 34299.3396 -149153.7514 299.5447 -183453.0910 -149045.7760 299.3616 26.9970 61.5890 558500.6912 -6.7526 -6.8352 PRESSURE: 1241600 -155.796 -173.644 52.0392 -173.645 111.262 43.1235 52.0399 43.1248 -197.394 GPRESSURE: 1241600 -86.6224 -151.116 25.7311 -128.823 93.4752 45.462 74.1978 89.3953 -167.14 PRESSAVG: 1241600 -28.6136 -50.9492 30.0543 -50.9492 0.615725 -3.84129 30.0541 -3.84126 34.6063 GPRESSAVG: 1241600 -29.7146 -51.687 27.9425 -51.7302 1.45033 -3.10517 31.1063 -4.67332 34.8312 TIMING: 1241600 CPU: 3734.97, 0.00301796/step Wall: 3734.97, 0.00301796/step, 3.15075 hours remaining, 208.015625 MB of memory in use. ENERGY: 1241600 763.8568 2095.9975 1978.0191 117.3509 -205843.0189 17710.6394 0.0000 0.0000 34152.6247 -149024.5305 298.2634 -183177.1552 -148928.1201 300.0558 -80.6424 -53.4292 558472.2520 2.2028 2.1890 PRESSURE: 1241800 61.8955 -19.0149 -70.8704 -19.0147 -199.254 35.756 -70.8706 35.7556 -7.57652 GPRESSURE: 1241800 126.083 -54.0554 -145.207 -68.3805 -183.598 104.621 -50.5662 7.92597 18.4126 PRESSAVG: 1241800 -4.42165 9.94905 -30.7115 9.94897 25.8221 11.8332 -30.7115 11.8333 -30.8916 GPRESSAVG: 1241800 -4.20379 9.93573 -29.7882 9.81995 24.9974 11.5957 -33.3456 12.2064 -30.7883 TIMING: 1241800 CPU: 3735.57, 0.00301323/step Wall: 3735.57, 0.00301323/step, 3.14564 hours remaining, 208.015625 MB of memory in use. ENERGY: 1241800 768.1328 2057.7395 1947.2439 114.8948 -205996.3577 17699.6085 0.0000 0.0000 34318.6765 -149090.0617 299.7135 -183408.7382 -148985.5779 299.7655 -48.3115 -13.0342 557282.1057 -3.1637 -3.3316 PRESSURE: 1242000 -226.264 176.827 -39.4538 176.826 -16.5268 58.2026 -39.4544 58.2047 -40.1399 GPRESSURE: 1242000 -201.164 81.9898 24.6547 256.053 58.0837 34.9006 -68.3534 63.7828 -39.6692 PRESSAVG: 1242000 24.6991 23.845 -45.2478 23.845 -37.8276 31.3732 -45.2478 31.3732 43.2902 GPRESSAVG: 1242000 23.7355 22.6864 -44.8719 22.9049 -35.8648 31.6453 -43.3843 32.0754 42.6122 TIMING: 1242000 CPU: 3736.18, 0.00304187/step Wall: 3736.18, 0.00304187/step, 3.17537 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: 1242000 743.0007 2060.9263 1934.5590 127.0217 -206019.7712 17704.4979 0.0000 0.0000 34247.4349 -149202.3307 299.0914 -183449.7656 -149105.0169 299.5905 -94.3101 -60.9164 558157.9847 10.0539 10.1610 PRESSURE: 1242200 177.825 28.9612 117.444 28.9621 28.2961 -178.341 117.446 -178.341 106.668 GPRESSURE: 1242200 246.462 119.916 179.924 -75.7783 52.6199 -171.774 145.105 -134.402 114.729 PRESSAVG: 1242200 -13.892 -25.8546 -17.1975 -25.8545 36.9879 9.07418 -17.1975 9.07414 -27.865 GPRESSAVG: 1242200 -13.2049 -26.0755 -15.6896 -24.802 35.7514 11.1096 -16.185 6.52924 -27.5798 TIMING: 1242200 CPU: 3736.79, 0.003031/step Wall: 3736.79, 0.003031/step, 3.16386 hours remaining, 208.015625 MB of memory in use. ENERGY: 1242200 741.0292 2082.9340 1929.0144 114.6885 -206439.2111 18056.5751 0.0000 0.0000 34402.4857 -149112.4841 300.4455 -183514.9699 -149012.4382 299.5744 104.2633 137.9370 557227.1898 -1.5897 -1.6778 PRESSURE: 1242400 -114.795 24.7805 -84.2332 24.7811 -225.071 138.575 -84.2344 138.575 -138.443 GPRESSURE: 1242400 -39.6114 20.7 -133.416 59.129 -183.352 105.607 -71.6764 141.839 -150.532 PRESSAVG: 1242400 28.922 -27.3971 -10.7008 -27.3971 15.8626 57.1914 -10.7008 57.1915 -29.35 GPRESSAVG: 1242400 29.0628 -25.4238 -12.4596 -26.4142 17.1968 54.5413 -12.446 59.2213 -30.7436 TIMING: 1242400 CPU: 3737.39, 0.00300147/step Wall: 3737.39, 0.00300147/step, 3.13287 hours remaining, 208.015625 MB of memory in use. ENERGY: 1242400 721.2946 2076.0122 1932.0923 100.7548 -205674.0448 17459.1535 0.0000 0.0000 34129.9186 -149254.8189 298.0651 -183384.7375 -149155.8385 299.5666 -159.4360 -124.4984 559014.9578 5.1449 5.1720 PRESSURE: 1242600 84.0468 -110.578 78.4931 -110.578 -363.487 77.2403 78.4934 77.2384 90.9224 GPRESSURE: 1242600 93.9714 -121.818 67.7859 -203.595 -287.002 44.3912 69.0446 124.608 106.536 PRESSAVG: 1242600 -34.469 -17.6456 -5.33888 -17.6457 4.99425 8.7754 -5.33886 8.77551 8.90046 GPRESSAVG: 1242600 -34.7047 -18.5457 -5.18913 -17.4985 3.87469 9.76441 -5.37889 7.99659 9.35269 TIMING: 1242600 CPU: 3737.99, 0.00299104/step Wall: 3737.99, 0.00299104/step, 3.12181 hours remaining, 208.015625 MB of memory in use. ENERGY: 1242600 710.8733 2087.4274 1931.6245 101.4860 -206388.7437 17859.1073 0.0000 0.0000 34266.8294 -149431.3958 299.2607 -183698.2252 -149341.0602 298.8872 -62.8394 -28.8317 558634.8773 -6.8581 -7.1591 PRESSURE: 1242800 -64.9371 -37.9262 132.692 -37.9259 -98.0656 64.8847 132.692 64.8834 -299.658 GPRESSURE: 1242800 -14.3345 33.3911 218.969 -62.6397 -56.4388 -0.59742 127.298 32.5835 -279.978 PRESSAVG: 1242800 7.61102 -54.3913 -8.87286 -54.3913 26.6379 7.76939 -8.87292 7.76939 -54.0218 GPRESSAVG: 1242800 7.07825 -55.0702 -6.94117 -55.093 26.2982 6.10391 -8.77862 8.95591 -52.7131 TIMING: 1242800 CPU: 3738.59, 0.00300006/step Wall: 3738.59, 0.00300006/step, 3.13107 hours remaining, 208.015625 MB of memory in use. ENERGY: 1242800 779.4925 2103.7154 1923.7583 106.9398 -206283.7821 17723.7184 0.0000 0.0000 34395.4294 -149250.7282 300.3838 -183646.1577 -149160.8200 298.9582 -154.2201 -116.9170 557976.3681 -6.5910 -6.4455 PRESSURE: 1243000 23.7884 102.764 -106.303 102.764 -185.127 -116.657 -106.303 -116.657 107.012 GPRESSURE: 1243000 90.4495 78.235 -114.553 78.7296 -157.415 -127.363 -30.0795 -158.718 116.557 PRESSAVG: 1243000 -22.3018 32.5204 6.51335 32.5203 21.0998 2.58544 6.51341 2.58547 28.4063 GPRESSAVG: 1243000 -21.8789 32.6476 5.54426 35.1424 20.3748 4.91226 6.21492 2.37559 28.7982 TIMING: 1243000 CPU: 3739.2, 0.00303789/step Wall: 3739.2, 0.00303789/step, 3.17038 hours remaining, 208.015625 MB of memory in use. ENERGY: 1243000 740.2233 2123.9206 1924.8188 102.0737 -206296.2337 17914.3811 0.0000 0.0000 34189.8992 -149300.9171 298.5889 -183490.8163 -149209.2962 299.0905 -18.1086 16.5306 559574.2899 9.0681 9.0980 PRESSURE: 1243200 12.3337 35.4517 61.2255 35.45 -259.666 89.7929 61.2241 89.7923 -23.6344 GPRESSURE: 1243200 71.3434 44.0715 112.908 -64.2886 -212.85 12.2959 106.248 140.718 -20.9363 PRESSAVG: 1243200 55.4141 3.76644 -14.2691 3.76631 -50.1436 17.7981 -14.269 17.798 2.9066 GPRESSAVG: 1243200 55.4209 3.785 -14.9241 2.2006 -48.4299 18.0161 -15.5982 17.6106 1.42949 TIMING: 1243200 CPU: 3739.8, 0.00303262/step Wall: 3739.8, 0.00303262/step, 3.16471 hours remaining, 208.015625 MB of memory in use. ENERGY: 1243200 767.0222 2092.7615 1945.4640 112.7812 -206048.1517 17778.9407 0.0000 0.0000 34097.5967 -149253.5854 297.7828 -183351.1821 -149158.7914 298.5941 -90.3223 -54.1477 559530.7242 2.7257 2.8068 PRESSURE: 1243400 184.928 -53.8776 -160.201 -53.8773 32.4178 30.0346 -160.201 30.0341 89.7662 GPRESSURE: 1243400 263.081 -99.5206 -82.2784 -21.3115 15.805 27.5356 -145.639 75.9531 113.785 PRESSAVG: 1243400 13.1514 10.1798 -56.4615 10.1798 -94.3364 5.01707 -56.4615 5.01713 122.733 GPRESSAVG: 1243400 13.3992 10.2617 -54.4108 10.2337 -94.3564 3.80356 -56.6286 5.07015 122.827 TIMING: 1243400 CPU: 3740.41, 0.00305477/step Wall: 3740.41, 0.00305477/step, 3.18766 hours remaining, 208.015625 MB of memory in use. ENERGY: 1243400 781.6321 2077.9466 1941.2901 107.3924 -206619.9617 18058.6081 0.0000 0.0000 34294.8684 -149358.2240 299.5056 -183653.0924 -149265.5125 299.4795 102.3705 130.8906 556950.9876 13.8493 13.9565 PRESSURE: 1243600 170.715 52.1722 -225.31 52.1732 -245.922 17.9108 -225.31 17.9115 -201.578 GPRESSURE: 1243600 160.129 69.5916 -148.092 -86.0017 -203.73 6.29363 -204.724 -12.2249 -132.463 PRESSAVG: 1243600 55.5193 30.2509 -19.6834 30.2509 -55.0702 33.1711 -19.6833 33.1712 -18.1042 GPRESSAVG: 1243600 55.7707 29.654 -21.5224 29.2858 -56.9772 33.5746 -16.8742 33.0929 -16.8608 TIMING: 1243600 CPU: 3741.02, 0.00302645/step Wall: 3741.02, 0.00302645/step, 3.15793 hours remaining, 208.015625 MB of memory in use. ENERGY: 1243600 753.0582 2070.0162 1967.3171 113.7811 -206499.3529 17937.6060 0.0000 0.0000 34100.1922 -149557.3821 297.8055 -183657.5743 -149461.0449 298.7072 -92.2617 -58.6881 558494.8474 -5.8850 -6.0224 PRESSURE: 1243800 -107.659 -78.5856 57.4785 -78.5867 -257.225 -204.064 57.4783 -204.064 -110.917 GPRESSURE: 1243800 -104.091 -85.0782 75.8067 -104.463 -197.338 -174.236 17.0296 -144.611 -67.5726 PRESSAVG: 1243800 -14.0849 9.41138 -68.0791 9.41139 -8.17438 -18.4652 -68.0791 -18.4652 -4.47755 GPRESSAVG: 1243800 -15.1098 11.2407 -65.9778 9.87774 -7.03088 -18.2771 -69.4634 -17.9593 -5.5649 TIMING: 1243800 CPU: 3741.63, 0.0030361/step Wall: 3741.63, 0.0030361/step, 3.16783 hours remaining, 208.015625 MB of memory in use. ENERGY: 1243800 778.5192 2034.2689 1945.0714 110.3680 -206627.7131 17778.1957 0.0000 0.0000 34359.1801 -149622.1098 300.0673 -183981.2898 -149523.3418 298.0348 -158.6002 -123.0004 558319.4722 -8.9123 -9.2352 PRESSURE: 1244000 132.023 -12.7557 -88.882 -12.7551 -144.408 -0.665811 -88.8826 -0.664379 -38.1569 GPRESSURE: 1244000 199.237 35.2124 -105.318 -72.5394 -147.988 -45.1508 -0.24646 -14.279 -5.53232 PRESSAVG: 1244000 29.2735 -19.9627 -19.9269 -19.9627 21.4678 26.7095 -19.9268 26.7095 -90.0189 GPRESSAVG: 1244000 30.4497 -20.6969 -20.4904 -19.8998 21.5064 26.8712 -18.7216 27.2847 -91.2359 TIMING: 1244000 CPU: 3742.24, 0.00304911/step Wall: 3742.24, 0.00304911/step, 3.18124 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: 1244000 715.3258 2091.1867 1914.1581 109.2611 -206034.3194 17667.8356 0.0000 0.0000 33953.2235 -149583.3285 296.5219 -183536.5520 -149488.2391 298.5368 -16.8471 15.2386 559228.5420 -13.0925 -13.0933 PRESSURE: 1244200 -54.7751 -102.668 9.21383 -102.668 171.349 -6.38903 9.21358 -6.3898 -74.8809 GPRESSURE: 1244200 -51.5154 -37.1587 -34.1365 -62.2217 257.111 29.1446 72.2928 -93.9128 -60.179 PRESSAVG: 1244200 50.6915 1.4144 -33.2813 1.41437 -28.0968 2.38562 -33.2813 2.38566 -25.8444 GPRESSAVG: 1244200 50.2484 1.43903 -36.1885 2.16607 -28.0127 3.7075 -32.317 1.85977 -25.2939 TIMING: 1244200 CPU: 3742.84, 0.00301733/step Wall: 3742.84, 0.00301733/step, 3.14791 hours remaining, 208.015625 MB of memory in use. ENERGY: 1244200 731.5117 2076.8233 1915.5021 103.3811 -206416.0497 17910.2332 0.0000 0.0000 34001.6758 -149676.9225 296.9451 -183678.5983 -149578.2273 298.5292 13.8977 48.4721 557870.2408 -1.0832 -1.0194 LDB: ============= START OF LOAD BALANCING ============== 3746.36 LDB: ============== END OF LOAD BALANCING =============== 3746.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3746.36 LDB: ============= START OF LOAD BALANCING ============== 3746.67 LDB: Largest compute 4800 load 0.026065 is 22.1% of average load 0.117876 LDB: Average compute 0.001749 is 1.5% of average load 0.117876 LDB: TIME 3746.67 LOAD: AVG 0.117876 MAX 0.213482 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.016 MB LDB: TIME 3746.67 LOAD: AVG 0.117876 MAX 0.213482 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.016 MB LDB: TIME 3746.67 LOAD: AVG 0.117876 MAX 0.213482 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.016 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3746.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3746.68 PRESSURE: 1244400 -8.36906 4.26921 27.7258 4.26948 69.4064 -11.3785 27.7261 -11.3792 67.0668 GPRESSURE: 1244400 -4.35777 103.828 15.6912 -23.9232 72.1719 85.6013 27.0207 -75.1488 156.082 PRESSAVG: 1244400 -27.9426 -28.3345 6.19529 -28.3345 34.827 16.4718 6.19531 16.4719 -4.93769 GPRESSAVG: 1244400 -28.0278 -28.4099 7.94335 -29.4245 34.5579 16.8241 4.11112 14.7303 -4.3152 TIMING: 1244400 CPU: 3743.46, 0.00310187/step Wall: 3743.46, 0.00310187/step, 3.23594 hours remaining, 209.820312 MB of memory in use. ENERGY: 1244400 732.2676 2061.3256 1932.1900 108.3585 -206692.9624 18013.0356 0.0000 0.0000 34144.9890 -149700.7961 298.1967 -183845.7851 -149607.7536 297.9292 42.7014 74.6322 557537.4845 0.6489 0.7383 PRESSURE: 1244600 -28.0757 28.9451 -128.615 28.9445 -48.223 95.9546 -128.615 95.9543 -188.344 GPRESSURE: 1244600 -38.9072 111.702 -201.114 42.3515 6.22506 174.057 -67.249 44.4542 -140.616 PRESSAVG: 1244600 20.9182 -0.140663 47.8774 -0.140555 -28.5641 -29.307 47.8774 -29.3071 28.7734 GPRESSAVG: 1244600 21.2695 -2.42793 47.3412 1.87241 -27.8919 -31.167 47.9872 -29.7298 27.7549 TIMING: 1244600 CPU: 3744.07, 0.00302946/step Wall: 3744.07, 0.00302946/step, 3.16023 hours remaining, 209.820312 MB of memory in use. ENERGY: 1244600 769.2066 2111.9719 1917.6780 103.5069 -206277.5813 17704.0343 0.0000 0.0000 34144.2706 -149526.9129 298.1904 -183671.1835 -149435.6594 298.0722 -88.2141 -57.7662 557363.3822 7.0425 7.0442 PRESSURE: 1244800 23.434 -200.55 43.1963 -200.55 -158.079 -4.50502 43.1959 -4.50344 -97.4972 GPRESSURE: 1244800 27.0902 -158.288 12.9806 -161.547 -147.3 4.27817 54.6404 35.0068 -19.0661 PRESSAVG: 1244800 8.71285 -41.914 -23.3023 -41.9141 -11.1779 1.64489 -23.3023 1.64484 -11.6439 GPRESSAVG: 1244800 7.8508 -40.0717 -21.8688 -43.2668 -12.3451 2.4673 -22.055 2.99401 -10.0771 TIMING: 1244800 CPU: 3744.67, 0.00302967/step Wall: 3744.67, 0.00302967/step, 3.16029 hours remaining, 209.820312 MB of memory in use. ENERGY: 1244800 751.1137 2077.3863 1940.3765 109.1948 -206037.0779 17545.7783 0.0000 0.0000 34286.4554 -149326.7730 299.4321 -183613.2284 -149234.3336 298.2720 -77.3807 -46.4254 556483.5746 -4.7030 -4.8571 PRESSURE: 1245000 370.487 -48.9705 125.279 -48.9695 -102.279 260.556 125.279 260.557 36.7338 GPRESSURE: 1245000 421.255 -83.4066 28.658 -71.5004 -48.8319 256.281 135.05 269.251 43.9967 PRESSAVG: 1245000 22.2278 -16.8957 45.1815 -16.8956 -11.1425 17.0517 45.1815 17.0518 -6.5897 GPRESSAVG: 1245000 23.3836 -15.429 46.4261 -18.8582 -11.6903 15.2836 43.3755 16.5552 -7.46393 TIMING: 1245000 CPU: 3745.27, 0.00299938/step Wall: 3745.27, 0.00299938/step, 3.12852 hours remaining, 209.820312 MB of memory in use. ENERGY: 1245000 738.5766 2040.6607 1887.4909 107.8370 -206352.6586 17992.3221 0.0000 0.0000 34328.1556 -149257.6157 299.7963 -183585.7713 -149158.0902 298.9558 101.6473 138.8066 557322.2143 1.4986 1.4098 PRESSURE: 1245200 -227.056 27.5343 -16.5543 27.5351 -120.268 123.334 -16.5541 123.335 -222.631 GPRESSURE: 1245200 -205.82 126.659 -59.4879 -69.5781 -106.336 141.833 60.4581 119.718 -162.066 PRESSAVG: 1245200 27.0192 35.8563 18.0077 35.8564 -34.4189 -12.6079 18.0078 -12.6079 -1.37845 GPRESSAVG: 1245200 25.68 33.0124 17.173 36.8761 -33.053 -11.1604 18.7963 -13.3047 -1.37677 TIMING: 1245200 CPU: 3745.87, 0.00298907/step Wall: 3745.87, 0.00298907/step, 3.1176 hours remaining, 209.820312 MB of memory in use. ENERGY: 1245200 757.7290 2116.5285 1929.0512 107.0872 -205913.1029 17532.8519 0.0000 0.0000 34232.8552 -149236.9999 298.9640 -183469.8551 -149142.6242 299.0086 -189.9850 -158.0739 557733.4657 -2.9261 -2.9166 PRESSURE: 1245400 -119.323 -83.6965 11.7917 -83.6954 -108.611 38.7331 11.7919 38.7324 157.14 GPRESSURE: 1245400 -114.421 -25.8948 -70.9071 -22.0204 -45.5483 29.4144 47.0304 37.3187 165.449 PRESSAVG: 1245400 -9.70663 20.0597 -21.1607 20.0597 -92.4404 -13.8959 -21.1607 -13.896 29.8545 GPRESSAVG: 1245400 -9.93366 21.6773 -20.3458 19.9509 -93.3189 -13.6488 -22.01 -15.1294 30.6042 TIMING: 1245400 CPU: 3746.47, 0.00298482/step Wall: 3746.47, 0.00298482/step, 3.113 hours remaining, 209.820312 MB of memory in use. ENERGY: 1245400 727.1073 2062.8979 1921.4699 107.0064 -205750.4484 17499.8813 0.0000 0.0000 34306.9515 -149125.1341 299.6111 -183432.0856 -149025.5043 299.0808 -23.5978 1.8267 556297.4220 -24.0975 -24.2161 PRESSURE: 1245600 -93.1597 30.7078 171.992 30.7066 119.799 -43.5327 171.992 -43.5316 23.1674 GPRESSURE: 1245600 -33.5238 -25.1011 185.648 67.9777 182.004 -141.861 242.101 20.5282 -12.6899 PRESSAVG: 1245600 9.16942 35.4518 -2.84374 35.4517 15.1351 -21.2684 -2.84371 -21.2684 22.0428 GPRESSAVG: 1245600 9.89156 33.2927 -3.74216 35.7129 16.1059 -20.8028 -3.28932 -18.549 20.1466 TIMING: 1245600 CPU: 3747.06, 0.00299242/step Wall: 3747.06, 0.00299242/step, 3.12076 hours remaining, 209.820312 MB of memory in use. ENERGY: 1245600 741.0753 2166.4805 1950.7230 114.0033 -206327.9868 17897.7219 0.0000 0.0000 34370.1428 -149087.8399 300.1630 -183457.9827 -148986.8650 299.3128 16.6024 45.2635 557319.2388 15.4491 15.3814 PRESSURE: 1245800 -477.915 34.107 -47.1534 34.1075 150.053 -23.6869 -47.1526 -23.6882 -55.3677 GPRESSURE: 1245800 -393.928 -81.2115 -53.5367 100.758 128.531 41.8579 2.0063 -40.2078 -24.3385 PRESSAVG: 1245800 -3.96706 30.8232 24.7247 30.8232 12.1262 -23.1449 24.7246 -23.145 -0.572879 GPRESSAVG: 1245800 -4.14171 33.1307 22.4478 30.8504 12.5233 -22.6691 28.0639 -23.3716 -0.555322 TIMING: 1245800 CPU: 3747.66, 0.00299514/step Wall: 3747.66, 0.00299514/step, 3.12344 hours remaining, 209.820312 MB of memory in use. ENERGY: 1245800 758.3312 2125.0745 1909.9674 115.2178 -205798.4121 17612.9701 0.0000 0.0000 34360.2637 -148916.5874 300.0767 -183276.8511 -148826.5571 300.1323 -127.7432 -96.5786 556937.1017 2.5288 2.6088 PRESSURE: 1246000 -34.7402 -164.114 96.0776 -164.114 24.4537 91.5124 96.0776 91.5117 -153.15 GPRESSURE: 1246000 -31.2359 -156.596 23.1762 -92.8502 141.675 8.54924 19.7757 88.9469 -179.524 PRESSAVG: 1246000 -11.4159 -46.0189 -16.1784 -46.019 89.3862 27.4562 -16.1783 27.4562 -97.9653 GPRESSAVG: 1246000 -13.511 -47.7062 -14.3662 -46.148 89.3543 26.6875 -18.9315 27.9477 -95.5679 TIMING: 1246000 CPU: 3748.26, 0.003003/step Wall: 3748.26, 0.003003/step, 3.13146 hours remaining, 209.820312 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: 1246000 726.8350 2079.5663 1909.7396 109.4393 -205991.8741 17703.0693 0.0000 0.0000 34342.0444 -149121.1802 299.9176 -183463.2246 -149027.9766 299.6319 -54.4787 -23.0283 556672.4881 -6.6650 -6.5749 PRESSURE: 1246200 -73.6544 -92.4965 -36.3279 -92.4954 62.9064 -266.607 -36.3284 -266.608 -39.1968 GPRESSURE: 1246200 -57.1806 -153.395 -17.6152 -148.616 36.9123 -205.203 -65.177 -335.542 75.1604 PRESSAVG: 1246200 18.7785 -32.3256 -8.57167 -32.3256 70.8521 19.9531 -8.57165 19.9532 -69.7495 GPRESSAVG: 1246200 20.3481 -29.9293 -10.1666 -34.2997 70.5673 20.1976 -7.79118 17.8905 -70.5643 TIMING: 1246200 CPU: 3748.87, 0.00302322/step Wall: 3748.87, 0.00302322/step, 3.15238 hours remaining, 209.820312 MB of memory in use. ENERGY: 1246200 723.7636 2090.7149 1923.6766 101.6620 -206132.3981 17809.4397 0.0000 0.0000 34311.8151 -149171.3262 299.6536 -183483.1413 -149076.0520 299.5257 -16.6483 18.2974 557838.0031 6.6270 6.7837 PRESSURE: 1246400 -162.766 -16.7461 -99.8937 -16.746 -30.5621 -160.978 -99.8958 -160.978 70.3668 GPRESSURE: 1246400 -192.627 -13.5583 -146.568 1.89041 4.2921 -107.782 -150.5 -110.966 154.043 PRESSAVG: 1246400 -72.4671 20.2085 -10.6578 20.2085 66.1898 8.66311 -10.6579 8.6631 41.1378 GPRESSAVG: 1246400 -72.45 20.2733 -8.8528 21.232 67.6954 7.8026 -10.7545 12.0644 39.4955 TIMING: 1246400 CPU: 3749.47, 0.0030246/step Wall: 3749.47, 0.0030246/step, 3.15365 hours remaining, 209.820312 MB of memory in use. ENERGY: 1246400 777.3772 2004.2521 1948.3353 109.7175 -206534.9321 17910.9591 0.0000 0.0000 34266.5482 -149517.7426 299.2583 -183784.2908 -149422.2588 299.1687 -40.9871 -11.4307 557252.7018 11.6202 11.5803 PRESSURE: 1246600 -41.8512 -70.1824 73.9236 -70.1822 -27.7202 43.0897 73.9229 43.088 28.7859 GPRESSURE: 1246600 -3.33243 -79.6208 65.9451 -75.752 0.0557016 26.6604 111.863 -3.30434 56.8842 PRESSAVG: 1246600 -3.74327 -4.52829 -22.4748 -4.52833 -3.47 12.6913 -22.4748 12.6913 4.94143 GPRESSAVG: 1246600 -2.98417 -6.42775 -25.1904 -3.32766 -4.4469 14.0264 -20.7679 9.5339 5.52169 TIMING: 1246600 CPU: 3750.08, 0.0030354/step Wall: 3750.08, 0.0030354/step, 3.16474 hours remaining, 209.820312 MB of memory in use. ENERGY: 1246600 769.5432 2105.4662 1912.4280 114.5876 -206703.1891 18025.8492 0.0000 0.0000 34308.2628 -149467.0521 299.6226 -183775.3150 -149370.6033 297.7221 -13.5952 17.8692 558001.5470 -0.7573 -0.6365 PRESSURE: 1246800 44.5145 122.999 -150.006 123 272.5 -30.8182 -150.007 -30.8185 -13.4064 GPRESSURE: 1246800 112.254 53.6446 -144.705 144.362 299.805 -19.0011 -146.261 -12.0479 -9.61224 PRESSAVG: 1246800 -21.9363 19.029 -9.39802 19.029 -19.8335 5.30672 -9.39799 5.30667 -2.16464 GPRESSAVG: 1246800 -22.2525 18.9851 -9.49827 18.1989 -20.1591 5.13787 -9.67834 6.0586 -1.35824 TIMING: 1246800 CPU: 3750.69, 0.00303051/step Wall: 3750.69, 0.00303051/step, 3.15948 hours remaining, 209.820312 MB of memory in use. ENERGY: 1246800 749.1422 2154.0535 1928.6012 110.1618 -206835.6633 18152.7737 0.0000 0.0000 34545.3793 -149195.5517 301.6934 -183740.9310 -149101.2151 299.0507 101.2028 134.1489 558099.8488 -14.6448 -14.5900 PRESSURE: 1247000 -95.5971 -152.775 130.911 -152.776 65.6902 -39.1095 130.91 -39.1094 215.818 GPRESSURE: 1247000 -101.115 -146.141 109.962 -156.933 105.764 53.3287 34.3092 -37.5038 281.787 PRESSAVG: 1247000 2.49466 33.8447 39.7574 33.8447 -31.8519 60.5787 39.7574 60.5788 30.7479 GPRESSAVG: 1247000 2.34284 35.5442 39.857 33.0005 -31.3029 60.5336 39.3611 61.2312 29.805 TIMING: 1247000 CPU: 3751.3, 0.00304472/step Wall: 3751.3, 0.00304472/step, 3.17412 hours remaining, 209.820312 MB of memory in use. ENERGY: 1247000 751.5081 2092.4820 1931.7280 121.9362 -206248.0189 17967.8179 0.0000 0.0000 34120.3631 -149262.1835 297.9816 -183382.5466 -149171.0478 299.6399 61.9705 95.4786 557636.7036 0.4635 0.2816 PRESSURE: 1247200 200.244 -42.0284 -51.3301 -42.0291 290.547 21.0395 -51.3309 21.0388 20.4067 GPRESSURE: 1247200 221.215 -31.1905 -45.4021 -93.8968 316.233 24.4166 -29.3486 15.6576 71.7215 PRESSAVG: 1247200 -11.1724 -28.3719 -32.3573 -28.3719 12.496 11.2036 -32.3573 11.2035 -3.75148 GPRESSAVG: 1247200 -11.0863 -31.467 -30.0614 -25.8344 12.4433 10.4437 -32.4611 13.4282 -3.4659 TIMING: 1247200 CPU: 3751.9, 0.00303647/step Wall: 3751.9, 0.00303647/step, 3.16535 hours remaining, 209.820312 MB of memory in use. ENERGY: 1247200 726.9015 2148.5766 1909.3294 127.8452 -206778.0802 18184.9304 0.0000 0.0000 34278.7259 -149401.7712 299.3646 -183680.4971 -149311.5733 298.6693 170.3990 203.0565 556708.1813 -0.8093 -0.7030 PRESSURE: 1247400 37.769 -85.7506 -92.8768 -85.7503 316.691 -101.336 -92.8763 -101.337 172.651 GPRESSURE: 1247400 133.968 -80.9279 -48.8519 0.864417 290.7 -163.835 -111.306 -45.8452 206.121 PRESSAVG: 1247400 29.8943 4.02374 -12.3677 4.02381 4.83534 -0.62083 -12.3675 -0.620751 -15.6691 GPRESSAVG: 1247400 30.997 7.20319 -13.8268 2.10756 5.31675 -1.41842 -12.1721 -3.33593 -16.9247 TIMING: 1247400 CPU: 3752.51, 0.00304586/step Wall: 3752.51, 0.00304586/step, 3.17497 hours remaining, 209.820312 MB of memory in use. ENERGY: 1247400 739.5984 2107.2984 1949.9444 126.0923 -206656.3561 18012.6317 0.0000 0.0000 34221.3306 -149499.4602 298.8634 -183720.7909 -149412.2015 298.7976 175.7038 210.2632 554602.4077 6.3535 6.4630 PRESSURE: 1247600 34.8226 56.0232 100.965 56.0239 268.906 59.961 100.966 59.9587 -146.113 GPRESSURE: 1247600 131.546 104.307 81.3775 -96.475 271.114 22.4942 98.6686 70.1547 -154.763 PRESSAVG: 1247600 -34.0041 18.5011 7.52947 18.5011 -14.0511 -36.7691 7.52952 -36.7692 35.7791 GPRESSAVG: 1247600 -34.3867 17.4817 8.11181 17.834 -14.432 -33.5141 8.35633 -37.4305 36.3303 TIMING: 1247600 CPU: 3753.12, 0.0030405/step Wall: 3753.12, 0.0030405/step, 3.16921 hours remaining, 209.820312 MB of memory in use. ENERGY: 1247600 714.1953 2088.1953 1930.5271 118.3160 -206211.5795 17727.7190 0.0000 0.0000 34284.7855 -149347.8412 299.4176 -183632.6267 -149253.0581 299.3632 52.5385 82.6324 555576.7410 -4.0921 -4.1628 PRESSURE: 1247800 205.947 -56.4459 50.8299 -56.447 26.3027 151.074 50.8316 151.072 123.292 GPRESSURE: 1247800 219.119 -115.807 69.6888 -28.703 15.8312 133.752 136.003 186.511 208.33 PRESSAVG: 1247800 -41.8274 12.8244 6.74071 12.8243 27.7855 -37.1311 6.74075 -37.131 -0.960661 GPRESSAVG: 1247800 -42.1057 14.0935 5.90323 13.3166 27.0276 -40.4891 5.27553 -36.5571 -0.645546 TIMING: 1247800 CPU: 3753.73, 0.00304951/step Wall: 3753.73, 0.00304951/step, 3.17844 hours remaining, 209.820312 MB of memory in use. ENERGY: 1247800 709.3447 2116.0365 1952.5666 108.8924 -206523.7219 17932.8865 0.0000 0.0000 34381.6347 -149322.3604 300.2634 -183703.9951 -149224.6532 298.7487 118.5141 147.7602 555206.5277 -5.0009 -5.2412 PRESSURE: 1248000 -104.549 15.0027 -171.41 15.002 -101.649 57.1631 -171.41 57.1619 -247.429 GPRESSURE: 1248000 -82.9998 -6.72164 -158.305 -66.9482 -76.07 123.939 -141.516 48.3407 -192.758 PRESSAVG: 1248000 45.4674 -16.0242 -11.3524 -16.0242 -35.5492 -17.0669 -11.3524 -17.0669 4.01065 GPRESSAVG: 1248000 45.302 -16.4977 -10.7098 -14.0836 -34.6805 -17.2494 -12.0098 -17.7725 2.76477 TIMING: 1248000 CPU: 3754.34, 0.00304541/step Wall: 3754.34, 0.00304541/step, 3.17399 hours remaining, 209.820312 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: 1248000 772.1980 2063.9019 1923.6602 105.6968 -206257.0593 17657.5445 0.0000 0.0000 34419.7607 -149314.2971 300.5963 -183734.0578 -149215.1359 299.3743 -151.2092 -117.2758 555764.3155 4.6429 4.4621 PRESSURE: 1248200 -200.449 -83.2971 -80.6094 -83.2963 157.928 -10.8158 -80.6082 -10.8168 -162.756 GPRESSURE: 1248200 -156.371 -63.9499 -143.537 -115.569 223.368 -38.6111 -87.1457 -35.4841 -172.434 PRESSAVG: 1248200 -14.156 -18.0465 19.9069 -18.0465 55.408 2.63624 19.9069 2.63618 -51.7447 GPRESSAVG: 1248200 -14.8988 -17.0169 20.0709 -21.6507 56.1761 4.85998 21.1149 2.43887 -51.9078 TIMING: 1248200 CPU: 3754.95, 0.00307008/step Wall: 3754.95, 0.00307008/step, 3.19953 hours remaining, 209.820312 MB of memory in use. ENERGY: 1248200 737.3364 2107.6197 1923.5978 115.6977 -206448.3403 17766.8762 0.0000 0.0000 34370.6700 -149426.5424 300.1676 -183797.2124 -149327.7203 298.2870 -68.4256 -35.1457 556598.4066 -3.4976 -3.5435 LDB: ============= START OF LOAD BALANCING ============== 3758.48 LDB: ============== END OF LOAD BALANCING =============== 3758.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3758.48 LDB: ============= START OF LOAD BALANCING ============== 3758.78 LDB: Largest compute 4795 load 0.025622 is 21.7% of average load 0.117838 LDB: Average compute 0.001754 is 1.5% of average load 0.117838 LDB: TIME 3758.79 LOAD: AVG 0.117838 MAX 0.21431 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.129 MB LDB: TIME 3758.79 LOAD: AVG 0.117838 MAX 0.21431 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.199 MB LDB: TIME 3758.79 LOAD: AVG 0.117838 MAX 0.21431 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.199 MB LDB: ============== END OF LOAD BALANCING =============== 3758.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3758.79 PRESSURE: 1248400 -241.436 36.503 -44.3975 36.5038 -58.3138 22.3264 -44.3976 22.3269 50.4145 GPRESSURE: 1248400 -191.35 27.1155 39.9583 21.9877 -45.5642 -10.7129 -53.1043 1.46798 94.4824 PRESSAVG: 1248400 26.916 26.0648 -25.5447 26.065 -40.9981 -2.36617 -25.5448 -2.36615 13.5725 GPRESSAVG: 1248400 26.7665 25.6251 -24.2116 28.0725 -40.8788 -2.04352 -28.3277 -1.1547 14.0816 TIMING: 1248400 CPU: 3755.58, 0.00311331/step Wall: 3755.58, 0.00311331/step, 3.24442 hours remaining, 207.554688 MB of memory in use. ENERGY: 1248400 734.6936 2056.4255 1935.3596 109.5577 -206478.1804 17888.6524 0.0000 0.0000 34206.3576 -149547.1340 298.7326 -183753.4916 -149450.7387 298.9999 -83.1119 -47.4774 557839.4168 -0.1699 -0.0102 PRESSURE: 1248600 93.7118 -54.9336 48.3529 -54.9319 127.706 -55.1511 48.3529 -55.1515 162.189 GPRESSURE: 1248600 168.02 -111.839 24.0636 9.33026 123.565 -54.4129 92.1044 -108.412 186.993 PRESSAVG: 1248600 -49.8916 17.4898 30.4797 17.4897 -13.9268 -8.02809 30.4797 -8.02804 4.1301 GPRESSAVG: 1248600 -48.5909 16.4356 28.9331 19.5163 -14.1976 -6.27981 34.2934 -8.60878 2.89369 TIMING: 1248600 CPU: 3756.18, 0.00304563/step Wall: 3756.18, 0.00304563/step, 3.17371 hours remaining, 208.015625 MB of memory in use. ENERGY: 1248600 736.7725 2026.0415 1950.2204 118.2920 -206703.8050 18090.8748 0.0000 0.0000 34156.8998 -149624.7040 298.3007 -183781.6039 -149519.9199 298.0410 127.8689 159.5259 557621.6303 -19.8961 -19.9649 PRESSURE: 1248800 -18.9619 133.175 51.4462 133.174 -271.678 80.6376 51.4456 80.6364 -264.414 GPRESSURE: 1248800 6.47555 132.123 -39.1323 142.983 -229.499 33.086 127.186 68.3278 -239.21 PRESSAVG: 1248800 41.9881 -43.5382 -8.09379 -43.5382 19.241 -16.6876 -8.09378 -16.6877 -29.6766 GPRESSAVG: 1248800 40.827 -43.9314 -6.54032 -43.0882 19.7177 -19.4435 -9.78495 -16.5578 -28.8829 TIMING: 1248800 CPU: 3756.8, 0.00306926/step Wall: 3756.8, 0.00306925/step, 3.19816 hours remaining, 208.015625 MB of memory in use. ENERGY: 1248800 719.9676 2064.4433 1932.6160 124.0065 -206157.8812 17620.7199 0.0000 0.0000 34159.4335 -149536.6944 298.3228 -183696.1278 -149440.5704 297.7713 -185.0180 -154.0780 558227.9221 10.5175 10.5539 PRESSURE: 1249000 63.9193 21.5731 -93.1921 21.5725 67.1911 148.159 -93.1923 148.159 62.593 GPRESSURE: 1249000 67.2289 86.2829 -50.7503 -20.4908 98.9 94.5832 -69.3708 139.339 119.704 PRESSAVG: 1249000 1.58569 30.522 -21.2678 30.522 -40.8354 35.8463 -21.2679 35.8464 -17.9587 GPRESSAVG: 1249000 0.488517 29.5679 -22.2226 29.0097 -40.1731 35.7447 -20.9656 35.69 -17.639 TIMING: 1249000 CPU: 3757.41, 0.0030425/step Wall: 3757.41, 0.00304251/step, 3.17012 hours remaining, 208.015625 MB of memory in use. ENERGY: 1249000 751.1047 2103.8930 1966.1265 122.0177 -206107.1996 17807.9791 0.0000 0.0000 34025.9089 -149330.1697 297.1567 -183356.0785 -149233.3205 298.2254 64.5678 95.2777 559336.2475 -19.0695 -19.1079 PRESSURE: 1249200 174.323 68.3112 104.724 68.3127 67.0429 17.9289 104.725 17.9296 -182.928 GPRESSURE: 1249200 227.072 49.041 101.492 89.9613 54.4213 -10.1534 -24.0191 29.267 -130.742 PRESSAVG: 1249200 20.1945 27.5544 12.3485 27.5544 2.46116 -12.5359 12.3484 -12.5358 1.34297 GPRESSAVG: 1249200 22.1388 28.9626 12.2225 28.8677 1.63209 -12.1023 11.1277 -14.5547 -0.0641662 TIMING: 1249200 CPU: 3758.02, 0.00303898/step Wall: 3758.02, 0.00303898/step, 3.16628 hours remaining, 208.015625 MB of memory in use. ENERGY: 1249200 741.2631 2063.3262 1949.7941 115.7827 -206400.4785 18028.5756 0.0000 0.0000 34164.1587 -149337.5780 298.3641 -183501.7367 -149240.5297 298.8132 19.4793 50.2505 558219.9262 7.9995 7.9022 PRESSURE: 1249400 -312.232 -84.4844 -25.5499 -84.485 370.905 -43.1017 -25.5488 -43.1009 166.377 GPRESSURE: 1249400 -240.285 -77.3341 8.3614 -118.949 354.764 -37.6434 -1.42051 5.27038 196.299 PRESSAVG: 1249400 -73.7615 5.25282 28.8942 5.25277 43.1762 6.22634 28.8942 6.2263 32.2218 GPRESSAVG: 1249400 -73.8939 5.37826 28.4118 3.25615 41.7043 5.00763 29.1949 8.95353 33.2142 TIMING: 1249400 CPU: 3758.62, 0.00300326/step Wall: 3758.62, 0.00300326/step, 3.1289 hours remaining, 208.015625 MB of memory in use. ENERGY: 1249400 756.2207 2052.5493 1931.2059 111.3449 -206798.2602 18073.3713 0.0000 0.0000 34516.5082 -149357.0599 301.4413 -183873.5681 -149264.8042 299.0192 75.0168 103.5925 556247.8659 0.5455 0.3416 PRESSURE: 1249600 -18.4598 228.032 88.7144 228.031 260.063 21.684 88.7143 21.6843 -366.082 GPRESSURE: 1249600 27.2389 155.562 67.8913 235.945 256.313 91.3465 82.589 -54.1734 -305.997 PRESSAVG: 1249600 -85.2005 12.2057 8.74907 12.2057 60.587 -23.7971 8.749 -23.7971 62.5525 GPRESSAVG: 1249600 -85.0908 12.1475 9.27467 12.8257 61.0485 -21.3964 8.15458 -25.574 62.613 TIMING: 1249600 CPU: 3759.22, 0.0030304/step Wall: 3759.22, 0.0030304/step, 3.157 hours remaining, 208.015625 MB of memory in use. ENERGY: 1249600 750.5979 2077.0455 1963.3226 120.2637 -206246.6143 17698.2632 0.0000 0.0000 34123.1061 -149514.0152 298.0056 -183637.1214 -149420.1436 298.7160 -41.4928 -7.4817 556887.6878 12.6464 12.8569 PRESSURE: 1249800 -185.141 -62.0135 45.0511 -62.0148 74.8772 -83.0105 45.0502 -83.0109 42.4746 GPRESSURE: 1249800 -86.4594 -99.9043 26.0446 -25.4578 34.7232 -88.0385 23.7303 -110.957 78.6783 PRESSAVG: 1249800 -3.53972 -35.6142 -29.385 -35.6142 -4.26664 -42.4262 -29.385 -42.4262 18.0866 GPRESSAVG: 1249800 -3.30321 -35.7279 -30.0551 -36.5534 -4.10746 -45.2044 -29.9727 -40.8511 18.031 TIMING: 1249800 CPU: 3759.82, 0.00300652/step Wall: 3759.82, 0.00300652/step, 3.13196 hours remaining, 208.015625 MB of memory in use. ENERGY: 1249800 747.2738 2091.3414 1955.8842 113.2824 -206245.3012 17790.2731 0.0000 0.0000 34258.1226 -149289.1238 299.1847 -183547.2464 -149199.3647 299.8373 -22.5965 8.9807 557605.8034 3.4267 3.5401 PRESSURE: 1250000 -27.1054 -96.0635 155.056 -96.0636 -233.188 43.2756 155.057 43.2753 -216.847 GPRESSURE: 1250000 -16.9968 53.6034 135.563 -155.268 -186.507 147.51 181.324 27.9122 -179.319 PRESSAVG: 1250000 11.4522 42.2363 -112.421 42.2364 33.1709 -27.2283 -112.421 -27.2285 -65.0979 GPRESSAVG: 1250000 11.5593 38.9967 -111.78 44.6536 32.3237 -27.5567 -110.713 -26.8849 -63.6973 TIMING: 1250000 CPU: 3760.43, 0.00301191/step Wall: 3760.43, 0.00301191/step, 3.13741 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: 1250000 745.9571 2112.0558 1927.4224 134.9630 -205832.5571 17477.1741 0.0000 0.0000 34136.8315 -149298.1533 298.1254 -183434.9848 -149201.0669 299.3947 -159.0465 -127.6076 557080.6544 -6.8249 -6.6048 PRESSURE: 1250200 55.6122 95.3758 -145.818 95.3747 -25.6774 -4.12546 -145.817 -4.12513 31.1775 GPRESSURE: 1250200 66.1182 139.155 -85.439 87.3084 -15.0209 -57.2009 -168.543 -86.0011 100.089 PRESSAVG: 1250200 19.232 -12.7269 -45.6091 -12.727 20.7174 -42.4463 -45.6091 -42.4463 -30.872 GPRESSAVG: 1250200 18.9554 -10.0454 -43.219 -13.8418 22.39 -41.185 -45.8585 -43.1021 -32.2239 TIMING: 1250200 CPU: 3761.03, 0.00302246/step Wall: 3761.03, 0.00302246/step, 3.14822 hours remaining, 208.277344 MB of memory in use. ENERGY: 1250200 714.1801 2137.4099 1934.3600 113.4814 -206020.4852 17482.5358 0.0000 0.0000 34252.9232 -149385.5948 299.1393 -183638.5181 -149292.0303 299.6999 20.3708 50.3955 556197.5963 3.0258 3.0405 PRESSURE: 1250400 -160.611 127.649 -9.35817 127.65 -384.223 138.761 -9.35793 138.759 -214.003 GPRESSURE: 1250400 -139.33 138.085 -26.3988 112.848 -321.974 78.3854 50.1126 180.648 -197.588 PRESSAVG: 1250400 -1.14871 44.5377 -10.4137 44.5378 4.85075 6.31393 -10.4137 6.31386 25.0186 GPRESSAVG: 1250400 -2.28667 44.0274 -12.3323 44.4421 4.29019 5.20454 -10.757 7.00848 26.7207 TIMING: 1250400 CPU: 3761.63, 0.00299507/step Wall: 3761.63, 0.00299507/step, 3.11953 hours remaining, 208.277344 MB of memory in use. ENERGY: 1250400 789.9528 2124.7000 1934.3742 116.6551 -205846.1105 17312.7908 0.0000 0.0000 34102.3799 -149465.2577 297.8246 -183567.6376 -149370.2324 298.9366 -252.9457 -219.6306 556485.5480 9.5735 9.5747 PRESSURE: 1250600 260.613 12.8247 -8.35094 12.8245 -141.328 -61.5139 -8.34932 -61.5143 -179.642 GPRESSURE: 1250600 265.183 59.601 -15.959 -29.6163 -124.29 -141.646 -3.95331 -54.0319 -111.184 PRESSAVG: 1250600 55.0186 41.3403 -20.6842 41.3403 -47.2077 5.86079 -20.6842 5.86093 -29.2876 GPRESSAVG: 1250600 57.1103 41.8608 -23.0227 41.8774 -46.9044 7.43765 -20.529 4.88569 -31.2 TIMING: 1250600 CPU: 3762.23, 0.00299463/step Wall: 3762.23, 0.00299463/step, 3.11891 hours remaining, 208.277344 MB of memory in use. ENERGY: 1250600 750.0716 2154.9016 1913.6219 117.1184 -206342.5292 17820.2378 0.0000 0.0000 34295.8769 -149290.7010 299.5144 -183586.5779 -149202.7884 298.8556 -20.1189 9.9031 557344.9270 -7.1589 -6.9980 PRESSURE: 1250800 -116.952 -137.372 -210.968 -137.371 -100.482 -140.388 -210.969 -140.39 -213.921 GPRESSURE: 1250800 -80.5579 -109.018 -146.494 -102.008 -106.991 -147.528 -206.991 -76.6498 -164.037 PRESSAVG: 1250800 18.3534 -36.7833 -31.2475 -36.7833 -13.9428 -29.2309 -31.2477 -29.2308 6.83479 GPRESSAVG: 1250800 18.2539 -36.6622 -30.0726 -38.6487 -14.8321 -29.5714 -29.9331 -27.1793 7.94396 TIMING: 1250800 CPU: 3762.83, 0.00300557/step Wall: 3762.83, 0.00300557/step, 3.13013 hours remaining, 208.277344 MB of memory in use. ENERGY: 1250800 723.4618 2124.5979 1920.9760 124.7991 -206131.4938 17703.2432 0.0000 0.0000 34140.5190 -149393.8968 298.1576 -183534.4158 -149295.0914 298.9938 -143.7851 -117.1954 558460.6719 3.7485 3.7886 PRESSURE: 1251000 -5.53316 -53.6328 -27.6454 -53.6326 -4.37975 172.326 -27.6443 172.326 -26.6984 GPRESSURE: 1251000 -20.0843 -62.788 -77.243 -15.2642 73.6727 207.878 -83.5505 165.844 20.8791 PRESSAVG: 1251000 78.9563 -1.58153 -42.5585 -1.58151 -19.1418 -21.7377 -42.5585 -21.7377 -23.0794 GPRESSAVG: 1251000 78.7073 -3.31623 -42.4666 0.487355 -18.7629 -20.4048 -43.0969 -25.1211 -23.3202 TIMING: 1251000 CPU: 3763.43, 0.00301568/step Wall: 3763.43, 0.00301568/step, 3.1405 hours remaining, 208.277344 MB of memory in use. ENERGY: 1251000 747.1317 2073.3358 1936.4808 111.9375 -206291.4653 17793.2050 0.0000 0.0000 34257.4774 -149371.8970 299.1791 -183629.3744 -149273.6964 298.8763 -12.2038 24.8225 557317.8979 12.2451 12.2081 PRESSURE: 1251200 -7.65133 19.7892 -209.81 19.7888 -27.2089 -48.6591 -209.812 -48.6586 40.8595 GPRESSURE: 1251200 -3.06169 12.8688 -234.852 48.8426 33.2696 -102.446 -182.517 -15.6499 60.6733 PRESSAVG: 1251200 19.0388 -37.3004 -23.3638 -37.3004 6.9399 47.4506 -23.3638 47.4504 20.9461 GPRESSAVG: 1251200 16.9602 -35.6748 -23.701 -38.428 8.22605 47.655 -23.7585 48.6725 21.6057 TIMING: 1251200 CPU: 3764.04, 0.00301827/step Wall: 3764.04, 0.00301827/step, 3.14303 hours remaining, 208.277344 MB of memory in use. ENERGY: 1251200 790.0918 2075.6155 1934.6195 110.4608 -206548.0355 17912.8907 0.0000 0.0000 34392.2562 -149332.1010 300.3561 -183724.3572 -149234.4549 299.5477 1.9998 30.2937 558068.8631 15.6416 15.5973 PRESSURE: 1251400 -69.2323 41.2154 -108.358 41.2141 -26.7599 97.5138 -108.357 97.5125 126.329 GPRESSURE: 1251400 -29.828 -14.6091 -36.8703 26.6448 -6.15462 109.312 -164.144 99.6064 158.25 PRESSAVG: 1251400 106.866 15.631 -38.9065 15.6311 -45.9859 48.887 -38.9066 48.887 -15.37 GPRESSAVG: 1251400 108.691 13.4265 -39.4743 16.4918 -46.7329 47.1702 -38.3908 47.7832 -16.1165 TIMING: 1251400 CPU: 3764.64, 0.00301765/step Wall: 3764.64, 0.00301765/step, 3.14221 hours remaining, 208.277344 MB of memory in use. ENERGY: 1251400 759.5666 2147.7066 1940.7483 104.7189 -206089.5569 17706.2425 0.0000 0.0000 34326.1392 -149104.4347 299.7787 -183430.5739 -149009.0716 299.0645 10.1124 40.7556 556978.6076 15.1700 15.2805 PRESSURE: 1251600 -10.176 68.5371 -169.364 68.5364 -42.3629 109.76 -169.362 109.758 224.222 GPRESSURE: 1251600 19.4059 70.0926 -197.008 87.9612 8.99766 169.058 -159.654 140.572 254.403 PRESSAVG: 1251600 8.1502 5.23004 -13.962 5.23016 -29.2241 9.22274 -13.9621 9.22266 19.8692 GPRESSAVG: 1251600 6.94622 5.00268 -11.6703 5.33206 -29.2413 7.75161 -14.2821 9.74994 20.8857 TIMING: 1251600 CPU: 3765.25, 0.00304095/step Wall: 3765.25, 0.00304095/step, 3.16631 hours remaining, 208.277344 MB of memory in use. ENERGY: 1251600 723.4385 2149.5893 1948.6052 98.7328 -205850.4363 17656.3209 0.0000 0.0000 34125.5042 -149148.2454 298.0265 -183273.7496 -149047.8668 299.4235 57.2277 94.2690 556957.8995 -0.4015 -0.4698 PRESSURE: 1251800 -96.7862 -7.80903 103.123 -7.8097 -12.7391 63.1009 103.123 63.1006 170.479 GPRESSURE: 1251800 -54.8302 109.214 136.691 -84.6454 49.8738 -4.27338 31.889 39.1182 159.662 PRESSAVG: 1251800 -10.9347 7.60236 6.09984 7.60229 -54.9613 -4.17325 6.09985 -4.17327 58.5481 GPRESSAVG: 1251800 -10.6541 8.48473 3.39809 6.86248 -54.4735 -2.77627 4.71933 -4.96419 57.3638 TIMING: 1251800 CPU: 3765.85, 0.0030164/step Wall: 3765.85, 0.0030164/step, 3.14058 hours remaining, 208.277344 MB of memory in use. ENERGY: 1251800 729.5665 2114.7994 1923.3935 113.0832 -206430.1340 17908.2959 0.0000 0.0000 34246.6462 -149394.3493 299.0845 -183640.9955 -149303.8526 298.7827 20.3178 51.5684 556653.0849 -2.4493 -2.5879 PRESSURE: 1252000 -68.6857 -12.9446 82.7121 -12.9458 -108.289 28.0673 82.7112 28.0667 -20.2396 GPRESSURE: 1252000 -92.0292 -48.4942 61.8187 29.8932 -58.504 69.9547 138.018 98.7549 33.6996 PRESSAVG: 1252000 20.5096 -1.58077 -24.8701 -1.58084 -22.1341 13.5269 -24.8701 13.527 7.4546 GPRESSAVG: 1252000 19.9324 -1.34264 -22.908 -1.82209 -22.1784 14.2201 -23.3109 15.9213 8.31159 TIMING: 1252000 CPU: 3766.45, 0.00301299/step Wall: 3766.45, 0.00301299/step, 3.13686 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: 1252000 748.4603 2142.8873 1941.7250 110.3247 -205990.7592 17699.2045 0.0000 0.0000 34212.3459 -149135.8116 298.7849 -183348.1574 -149044.1045 299.3823 -65.7382 -38.9445 558481.8908 1.9433 2.0219 PRESSURE: 1252200 -191.787 13.863 -43.1587 13.8621 34.0132 -54.6051 -43.158 -54.6057 287.995 GPRESSURE: 1252200 -166.295 -53.817 -131.66 5.01402 78.4087 -6.88395 -9.60944 -55.6803 310.23 PRESSAVG: 1252200 0.597432 15.4684 -39.1196 15.4684 30.1733 21.7289 -39.1197 21.7288 -61.3975 GPRESSAVG: 1252200 0.656611 14.859 -40.0561 16.8028 30.9367 22.3755 -39.1197 19.9283 -62.0407 TIMING: 1252200 CPU: 3767.06, 0.00304108/step Wall: 3767.06, 0.00304108/step, 3.16593 hours remaining, 208.277344 MB of memory in use. ENERGY: 1252200 742.1057 2045.8542 1945.2764 117.0935 -206182.8266 17813.6943 0.0000 0.0000 34349.3974 -149169.4051 299.9818 -183518.8025 -149070.8921 299.3092 43.4073 74.1148 557960.3888 -10.2089 -10.1491 LDB: ============= START OF LOAD BALANCING ============== 3770.58 LDB: ============== END OF LOAD BALANCING =============== 3770.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3770.58 LDB: ============= START OF LOAD BALANCING ============== 3770.88 LDB: Largest compute 4795 load 0.025793 is 21.9% of average load 0.117879 LDB: Average compute 0.001757 is 1.5% of average load 0.117879 LDB: TIME 3770.88 LOAD: AVG 0.117879 MAX 0.213083 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.074 MB LDB: TIME 3770.89 LOAD: AVG 0.117879 MAX 0.213083 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.074 MB LDB: TIME 3770.89 LOAD: AVG 0.117879 MAX 0.213083 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.074 MB LDB: ============== END OF LOAD BALANCING =============== 3770.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3770.89 PRESSURE: 1252400 -26.0018 152.293 -205.276 152.294 -45.3017 -28.1638 -205.277 -28.1646 103.355 GPRESSURE: 1252400 30.9411 143.969 -225.7 228.616 -35.3226 48.6155 -204.488 -37.925 129.129 PRESSAVG: 1252400 40.1907 18.7603 9.62249 18.7602 -52.6082 60.3962 9.6224 60.3962 6.13069 GPRESSAVG: 1252400 41.3753 18.6402 9.20881 18.574 -54.0713 60.9784 8.72999 59.1854 6.40388 TIMING: 1252400 CPU: 3767.67, 0.00306545/step Wall: 3767.67, 0.00306545/step, 3.19113 hours remaining, 208.332031 MB of memory in use. ENERGY: 1252400 765.5194 2098.1008 1940.9654 120.6256 -206027.6159 17660.0406 0.0000 0.0000 34425.0707 -149017.2935 300.6427 -183442.3642 -148912.8857 300.1490 10.6839 41.5825 557102.7440 -2.0956 -2.0974 PRESSURE: 1252600 74.9198 44.5238 -8.6542 44.5234 -36.9794 -39.3995 -8.65386 -39.3984 -119.397 GPRESSURE: 1252600 158.631 -2.43411 -25.866 78.2095 -26.9314 -45.5946 -31.8762 -117.348 -106.53 PRESSAVG: 1252600 14.088 11.0953 -24.4815 11.0953 -54.0518 25.0698 -24.4815 25.0698 11.9472 GPRESSAVG: 1252600 13.2318 11.6074 -23.7136 10.396 -53.1285 23.4086 -24.0299 26.7968 11.8286 TIMING: 1252600 CPU: 3768.28, 0.00301567/step Wall: 3768.28, 0.00301567/step, 3.13915 hours remaining, 208.332031 MB of memory in use. ENERGY: 1252600 744.1170 2095.3762 1941.1058 111.8979 -205880.9324 17577.7563 0.0000 0.0000 34271.4116 -149139.2677 299.3008 -183410.6793 -149044.3000 298.8510 -27.1523 8.3897 556627.2389 -9.3389 -9.3561 PRESSURE: 1252800 75.8919 129.89 -10.8008 129.89 93.1945 -76.2351 -10.8008 -76.2345 270.23 GPRESSURE: 1252800 81.3859 126.938 -2.62766 121.927 122.335 -52.5287 -3.60167 -121.106 334.204 PRESSAVG: 1252800 78.4817 -8.31673 4.65635 -8.31673 -83.8338 0.785433 4.65641 0.785385 -19.761 GPRESSAVG: 1252800 78.222 -7.43539 5.34816 -8.98329 -84.384 1.31625 3.69684 0.93811 -19.0862 TIMING: 1252800 CPU: 3768.88, 0.00301056/step Wall: 3768.88, 0.00301056/step, 3.13366 hours remaining, 208.332031 MB of memory in use. ENERGY: 1252800 715.5440 2113.4992 1962.9445 118.6940 -206325.5443 18004.8317 0.0000 0.0000 34310.0640 -149099.9669 299.6383 -183410.0309 -149002.3908 299.2262 146.4387 179.3082 556317.6057 -8.3710 -8.4161 PRESSURE: 1253000 -156.675 -78.8511 69.5497 -78.8507 447.177 195.362 69.5493 195.362 219.992 GPRESSURE: 1253000 -83.1317 -49.4641 67.0082 -83.6174 430.668 173.987 77.0914 211.565 261.862 PRESSAVG: 1253000 15.0599 2.54925 29.5246 2.54919 5.65154 6.38158 29.5245 6.38163 -17.8731 GPRESSAVG: 1253000 15.7631 1.14003 25.7869 3.64591 4.59248 5.3561 31.6861 6.92129 -16.847 TIMING: 1253000 CPU: 3769.48, 0.00298476/step Wall: 3769.48, 0.00298476/step, 3.10664 hours remaining, 208.332031 MB of memory in use. ENERGY: 1253000 717.3439 2077.1590 1925.4265 129.9406 -206387.1011 18018.4704 0.0000 0.0000 34362.2308 -149156.5298 300.0939 -183518.7606 -149059.3547 299.1774 170.1646 203.1328 556241.5563 0.9461 1.1695 PRESSURE: 1253200 -94.7725 63.9008 -81.842 63.901 -58.7525 0.184688 -81.84 0.184606 -87.7259 GPRESSURE: 1253200 -97.3145 67.2422 -13.4615 95.9348 14.4208 79.7386 -47.0751 -58.4933 -62.9731 PRESSAVG: 1253200 -15.9118 10.1126 46.5521 10.1125 10.702 21.5777 46.5522 21.5776 5.03486 GPRESSAVG: 1253200 -15.02 9.98529 50.3077 10.7572 12.0323 22.2091 46.7585 19.9375 3.32646 TIMING: 1253200 CPU: 3770.08, 0.00300625/step Wall: 3770.08, 0.00300625/step, 3.12884 hours remaining, 208.332031 MB of memory in use. ENERGY: 1253200 713.5702 2068.4110 1957.3754 112.4187 -206074.1990 17684.8304 0.0000 0.0000 34374.0992 -149163.4941 300.1976 -183537.5933 -149067.9902 298.5465 -80.4170 -48.6223 559527.7309 -0.0583 0.1129 PRESSURE: 1253400 -107.352 -24.3084 -68.1968 -24.3098 142.393 40.535 -68.198 40.5351 50.4666 GPRESSURE: 1253400 -74.2482 13.503 -81.7121 -71.2852 129.795 60.6433 -91.5823 78.3724 135.016 PRESSAVG: 1253400 15.8515 -51.9631 46.2684 -51.9631 15.7542 18.566 46.2685 18.566 -43.2086 GPRESSAVG: 1253400 14.4994 -50.1444 46.1601 -54.2105 16.1216 17.5015 44.0485 18.611 -42.2621 TIMING: 1253400 CPU: 3770.68, 0.00300384/step Wall: 3770.68, 0.00300384/step, 3.12617 hours remaining, 208.332031 MB of memory in use. ENERGY: 1253400 710.2471 2043.7503 1935.2174 125.4855 -206142.2690 17752.7221 0.0000 0.0000 34349.5713 -149225.2753 299.9833 -183574.8466 -149138.5748 298.8413 28.5026 63.5207 557502.0815 -3.8676 -3.8804 PRESSURE: 1253600 -96.1514 126.419 189.4 126.419 -248.064 -88.7035 189.401 -88.702 -94.038 GPRESSURE: 1253600 -61.2759 117.673 168.521 143.483 -166.567 -135.638 266.284 -37.9896 -121.86 PRESSAVG: 1253600 12.0103 73.8921 9.5257 73.8922 14.2058 -24.0553 9.52572 -24.0554 -5.52738 GPRESSAVG: 1253600 13.2873 72.5427 11.3269 76.0507 13.5467 -20.7588 8.17749 -25.6444 -6.68283 TIMING: 1253600 CPU: 3771.28, 0.0030197/step Wall: 3771.28, 0.0030197/step, 3.14251 hours remaining, 208.332031 MB of memory in use. ENERGY: 1253600 744.7403 2054.2081 1921.9854 103.9546 -206184.9427 17736.9576 0.0000 0.0000 34477.2090 -149145.8876 301.0980 -183623.0966 -149053.5965 299.2308 -146.0846 -116.5674 557716.3302 6.8962 6.7170 PRESSURE: 1253800 -333.201 -16.3189 -2.41944 -16.3186 -113.845 -12.7974 -2.41946 -12.7971 -0.27625 GPRESSURE: 1253800 -238.781 -1.83745 47.8221 13.4389 -119.843 -80.5411 10.5794 14.9162 -1.56363 PRESSAVG: 1253800 15.6725 11.5938 47.3946 11.5938 -25.2483 -5.18891 47.3946 -5.18895 32.3524 GPRESSAVG: 1253800 16.4978 11.3874 45.3093 10.9046 -24.7546 -7.04707 48.7099 -2.63108 30.9121 TIMING: 1253800 CPU: 3771.89, 0.00304239/step Wall: 3771.89, 0.00304239/step, 3.16595 hours remaining, 208.332031 MB of memory in use. ENERGY: 1253800 709.2673 2071.0490 1982.0143 116.6506 -205750.8667 17633.0124 0.0000 0.0000 34261.4339 -148977.4392 299.2136 -183238.8731 -148877.4928 299.2443 -149.1074 -120.0625 558738.1781 7.5922 7.5518 PRESSURE: 1254000 -242.805 -2.88535 150.069 -2.88554 -248.615 -129.786 150.069 -129.787 -90.4792 GPRESSURE: 1254000 -221.053 -124.073 191.956 34.007 -202.07 -184.36 161.878 -60.6012 -53.9518 PRESSAVG: 1254000 -29.1006 1.5136 21.3083 1.51361 37.4408 -77.0897 21.3083 -77.0897 -32.3929 GPRESSAVG: 1254000 -30.603 3.72038 21.5153 0.835578 35.9761 -75.8724 23.5752 -77.9341 -29.6521 TIMING: 1254000 CPU: 3772.5, 0.00304164/step Wall: 3772.5, 0.00304164/step, 3.16499 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: 1254000 698.9286 2105.4088 1938.5681 106.1887 -205703.7685 17587.3098 0.0000 0.0000 34205.9689 -149061.3956 298.7292 -183267.3645 -148965.2838 299.8515 -193.9664 -159.0251 559240.8722 -8.0176 -8.0930 PRESSURE: 1254200 106.81 -212.659 233.281 -212.659 11.3165 -40.9228 233.281 -40.9237 154.809 GPRESSURE: 1254200 122.309 -195.851 181.257 -201.928 38.7119 -37.1951 252.68 -101.388 208.595 PRESSAVG: 1254200 -52.1958 28.7245 -1.37973 28.7246 -57.8544 -30.4645 -1.37969 -30.4645 79.1856 GPRESSAVG: 1254200 -52.0167 27.7104 -4.38182 29.1598 -58.5542 -29.6758 -3.32809 -30.1096 79.174 TIMING: 1254200 CPU: 3773.11, 0.00304726/step Wall: 3773.11, 0.00304726/step, 3.17067 hours remaining, 208.332031 MB of memory in use. ENERGY: 1254200 692.6731 2068.4947 1947.8769 127.4565 -206065.6858 17941.5491 0.0000 0.0000 34275.9320 -149011.7036 299.3402 -183287.6356 -148920.8606 299.6964 90.9783 123.2055 557526.6706 -10.2882 -10.4656 PRESSURE: 1254400 -31.4188 73.4779 -36.3595 73.4779 144.943 -34.1285 -36.3602 -34.1283 -245.638 GPRESSURE: 1254400 -8.53424 122.143 19.9521 35.8417 182.098 -60.6921 50.4592 -40.8041 -209.701 PRESSAVG: 1254400 49.5241 -32.222 14.7798 -32.2221 3.74873 -4.83808 14.7798 -4.83798 -55.873 GPRESSAVG: 1254400 49.5593 -30.8896 14.1097 -33.1173 4.19189 -5.56946 15.8408 -4.5273 -56.2756 TIMING: 1254400 CPU: 3773.71, 0.00302763/step Wall: 3773.71, 0.00302763/step, 3.15008 hours remaining, 208.332031 MB of memory in use. ENERGY: 1254400 745.9838 2002.0276 1958.7607 121.8991 -206040.9906 17789.1813 0.0000 0.0000 34472.3026 -148950.8355 301.0552 -183423.1381 -148852.2682 299.8072 -44.0381 -12.0458 556697.4249 -0.8667 -0.8415 PRESSURE: 1254600 89.6135 -6.85204 40.2716 -6.85258 131.279 14.3211 40.2716 14.3207 68.9883 GPRESSURE: 1254600 126.034 65.9281 142.451 63.1901 63.9782 -25.5779 8.69211 74.5187 185.601 PRESSAVG: 1254600 33.0156 4.12429 17.9397 4.12413 -28.2512 -34.1994 17.9397 -34.1994 -29.6898 GPRESSAVG: 1254600 33.1537 1.87488 18.8103 3.95855 -29.0825 -35.067 16.7011 -34.0463 -29.5941 TIMING: 1254600 CPU: 3774.33, 0.00307532/step Wall: 3774.33, 0.00307532/step, 3.19953 hours remaining, 208.332031 MB of memory in use. ENERGY: 1254600 737.7328 2041.0194 1939.3500 113.1827 -205930.0129 17728.4227 0.0000 0.0000 34274.9920 -149095.3133 299.3320 -183370.3054 -149001.4840 300.0819 96.6269 125.2041 557598.4039 -8.3085 -8.5076 PRESSURE: 1254800 -286.667 34.6724 -63.1307 34.6725 52.5856 67.3012 -63.1297 67.3005 -253.077 GPRESSURE: 1254800 -283.09 57.0786 -72.621 35.273 110.766 77.3776 -95.7496 82.8723 -228.435 PRESSAVG: 1254800 -37.7355 27.1817 -22.9856 27.1817 47.789 18.6626 -22.9856 18.6627 6.58785 GPRESSAVG: 1254800 -37.6684 27.3436 -20.5617 26.6198 47.2148 20.3321 -24.1474 19.2546 7.44529 TIMING: 1254800 CPU: 3774.95, 0.00309215/step Wall: 3774.95, 0.00309215/step, 3.21686 hours remaining, 208.332031 MB of memory in use. ENERGY: 1254800 741.7113 2048.4628 1933.9616 112.4063 -205778.6929 17551.1433 0.0000 0.0000 34177.0246 -149213.9830 298.4765 -183391.0075 -149109.9398 299.4598 -162.3862 -133.5864 559090.6081 5.5471 5.6639 PRESSURE: 1255000 -122.446 -25.9798 53.7388 -25.9793 -86.4489 18.2352 53.7385 18.2342 -43.0156 GPRESSURE: 1255000 -57.8812 3.65882 32.226 -62.0112 -122.613 -107.769 112.884 13.7668 22.3897 PRESSAVG: 1255000 -40.0646 -7.1736 18.3062 -7.17368 52.5563 -59.4698 18.3061 -59.4698 9.26034 GPRESSAVG: 1255000 -39.4307 -5.95756 16.0821 -5.76151 53.6695 -61.2133 19.2344 -60.1478 7.49698 TIMING: 1255000 CPU: 3775.55, 0.00301106/step Wall: 3775.55, 0.00301106/step, 3.13234 hours remaining, 208.332031 MB of memory in use. ENERGY: 1255000 772.7402 2071.5793 1953.5786 113.4874 -206131.4117 17731.7464 0.0000 0.0000 34250.5931 -149237.6866 299.1189 -183488.2797 -149142.9447 298.6297 -83.9703 -52.7013 558848.8191 7.2507 7.2453 PRESSURE: 1255200 -243.836 -137.986 31.895 -137.985 309.092 13.5428 31.8954 13.5431 310.335 GPRESSURE: 1255200 -156.662 -69.2282 53.8356 -180.199 256.485 70.8902 -5.48577 28.9576 368.2 PRESSAVG: 1255200 -39.214 -15.4628 15.0891 -15.4628 -10.5667 -5.67594 15.089 -5.67595 25.5935 GPRESSAVG: 1255200 -38.9002 -17.2173 16.7581 -16.9197 -10.9485 -2.42948 14.4163 -6.80779 25.8474 TIMING: 1255200 CPU: 3776.15, 0.0030141/step Wall: 3776.15, 0.0030141/step, 3.13533 hours remaining, 208.332031 MB of memory in use. ENERGY: 1255200 796.1237 2092.6419 1952.7957 110.1387 -206505.9817 17990.7022 0.0000 0.0000 34360.2527 -149203.3267 300.0766 -183563.5795 -149110.1096 298.8228 125.1970 156.0074 557934.6656 -8.0624 -8.0004 PRESSURE: 1255400 -231.979 -22.8172 131.441 -22.8152 -137.817 235.685 131.441 235.685 39.8924 GPRESSURE: 1255400 -194.102 54.0569 169.191 -39.6569 -91.3588 158.959 56.627 280.514 45.6279 PRESSAVG: 1255400 -86.555 -56.2952 71.1549 -56.2952 24.1002 -44.8228 71.1549 -44.8229 29.8323 GPRESSAVG: 1255400 -87.7971 -54.9398 70.5907 -55.2521 24.8462 -46.4975 71.1522 -45.0761 30.3406 TIMING: 1255400 CPU: 3776.75, 0.00300491/step Wall: 3776.75, 0.00300491/step, 3.12561 hours remaining, 208.332031 MB of memory in use. ENERGY: 1255400 732.4205 2054.6722 1958.2799 114.7001 -206334.5855 17690.6389 0.0000 0.0000 34484.1957 -149299.6782 301.1591 -183783.8739 -149205.5948 299.2886 -109.9678 -79.9442 557861.8680 -10.8742 -10.8701 PRESSURE: 1255600 -193.79 52.8356 185.625 52.8343 215.684 -139.948 185.627 -139.949 -22.5255 GPRESSURE: 1255600 -142.308 102.253 194.889 -48.0145 228.377 -99.7121 156.48 -125.967 16.8198 PRESSAVG: 1255600 -36.6108 11.8233 17.7954 11.8233 20.2922 -1.84003 17.7954 -1.84003 -21.7026 GPRESSAVG: 1255600 -37.0921 12.4553 18.8381 8.84898 21.5409 -2.40213 17.3596 -0.681049 -22.4325 TIMING: 1255600 CPU: 3777.35, 0.00300297/step Wall: 3777.35, 0.00300297/step, 3.12342 hours remaining, 208.332031 MB of memory in use. ENERGY: 1255600 728.3663 2087.1790 1966.0508 130.9956 -206158.7153 17835.6217 0.0000 0.0000 34338.3558 -149072.1461 299.8854 -183410.5019 -148970.7695 299.4361 -0.2106 34.2964 558406.7296 -12.6737 -12.6612 PRESSURE: 1255800 -117.994 -22.8105 -70.9871 -22.8108 -71.4539 58.0228 -70.9869 58.021 -14.4549 GPRESSURE: 1255800 -98.6043 -11.2441 -10.8579 -63.0818 -48.8653 86.963 -91.5395 35.7972 42.3571 PRESSAVG: 1255800 -17.5246 -60.7808 48.9914 -60.7808 41.6039 18.4298 48.9914 18.4298 -11.5208 GPRESSAVG: 1255800 -16.4583 -61.7895 48.242 -58.604 39.9667 19.0112 49.171 19.0595 -11.1055 TIMING: 1255800 CPU: 3777.95, 0.00300097/step Wall: 3777.95, 0.00300097/step, 3.12117 hours remaining, 208.332031 MB of memory in use. ENERGY: 1255800 752.8446 2062.3307 1957.4387 120.8515 -205586.2988 17520.0215 0.0000 0.0000 34165.4319 -149007.3798 298.3752 -183172.8117 -148906.8104 299.9022 -67.9675 -35.0375 557583.0163 4.1862 4.1343 PRESSURE: 1256000 -102.277 -93.119 -47.8201 -93.1198 -107.865 212.917 -47.8213 212.917 2.71672 GPRESSURE: 1256000 -31.1113 -131.856 -10.0268 -57.5482 -121.496 215.854 -115.992 210.189 32.611 PRESSAVG: 1256000 27.278 -49.4003 8.41999 -49.4003 2.49232 36.3814 8.42008 36.3814 -9.91078 GPRESSAVG: 1256000 25.4629 -48.9471 6.61527 -51.1557 3.61268 35.9642 10.5992 35.5382 -9.24877 TIMING: 1256000 CPU: 3778.56, 0.00302781/step Wall: 3778.56, 0.00302781/step, 3.14892 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: 1256000 713.1053 2064.2703 1938.3984 118.5506 -205718.2242 17741.6963 0.0000 0.0000 34150.7637 -148991.4396 298.2471 -183142.2033 -148900.1931 299.5556 -69.1420 -39.9986 559138.6808 6.6198 6.6089 PRESSURE: 1256200 -211.716 8.52984 -97.8236 8.53086 -55.5147 178.842 -97.823 178.844 59.7319 GPRESSURE: 1256200 -153 23.9008 -2.33347 85.1502 -45.3536 120.675 -120.304 151.936 87.7653 PRESSAVG: 1256200 -41.0843 -18.2169 30.81 -18.2169 87.7991 -5.48043 30.8101 -5.4806 -6.0498 GPRESSAVG: 1256200 -40.0826 -17.9556 33.2487 -15.5923 86.5127 -5.02937 29.5001 -6.35555 -5.53079 TIMING: 1256200 CPU: 3779.17, 0.00302768/step Wall: 3779.17, 0.00302768/step, 3.14862 hours remaining, 208.332031 MB of memory in use. ENERGY: 1256200 719.0452 2014.4618 1960.5837 127.8428 -205995.4985 17771.7140 0.0000 0.0000 34396.3245 -149005.5266 300.3917 -183401.8511 -148910.0222 299.7006 -69.1662 -36.8627 558460.6275 13.5550 13.6331 LDB: ============= START OF LOAD BALANCING ============== 3782.69 LDB: ============== END OF LOAD BALANCING =============== 3782.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3782.69 LDB: ============= START OF LOAD BALANCING ============== 3782.99 LDB: Largest compute 4795 load 0.026504 is 22.5% of average load 0.117855 LDB: Average compute 0.001755 is 1.5% of average load 0.117855 LDB: TIME 3782.99 LOAD: AVG 0.117855 MAX 0.214403 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.949 MB LDB: TIME 3783 LOAD: AVG 0.117855 MAX 0.214403 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.152 MB LDB: TIME 3783 LOAD: AVG 0.117855 MAX 0.214403 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.152 MB LDB: ============== END OF LOAD BALANCING =============== 3783 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3783 PRESSURE: 1256400 -126.457 108.749 -58.8685 108.749 -474.572 -70.1135 -58.8678 -70.1137 -113.094 GPRESSURE: 1256400 -77.6429 59.1409 -75.694 84.3182 -422.591 -26.8323 -39.7322 -50.6583 -117.675 PRESSAVG: 1256400 15.5912 45.6487 21.753 45.6487 -36.7544 23.0403 21.753 23.0403 19.9679 GPRESSAVG: 1256400 15.7333 46.102 21.7923 45.5662 -36.5949 22.1807 20.7157 23.1108 19.6297 TIMING: 1256400 CPU: 3779.78, 0.00309254/step Wall: 3779.78, 0.00309254/step, 3.21589 hours remaining, 208.707031 MB of memory in use. ENERGY: 1256400 709.4487 2026.6085 1951.3069 105.3762 -205676.8188 17456.1962 0.0000 0.0000 34222.0424 -149205.8399 298.8696 -183427.8823 -149101.3107 299.6930 -238.0409 -205.9694 559905.1860 -0.3984 -0.4107 PRESSURE: 1256600 -83.5371 68.6477 94.6498 68.6474 -100.789 -99.8613 94.6498 -99.8609 -173.816 GPRESSURE: 1256600 -70.0581 81.3208 109.417 52.0788 -20.4692 -221.315 -7.12657 -89.667 -156.692 PRESSAVG: 1256600 -69.213 -66.8052 -12.6194 -66.8052 53.3316 -11.777 -12.6194 -11.7769 -29.8099 GPRESSAVG: 1256600 -68.8023 -69.6717 -14.4898 -66.6646 52.7322 -13.4288 -11.9061 -9.99262 -30.1197 TIMING: 1256600 CPU: 3780.39, 0.00301568/step Wall: 3780.39, 0.00301568/step, 3.1358 hours remaining, 208.777344 MB of memory in use. ENERGY: 1256600 760.5962 2003.8675 1949.8189 97.6931 -205916.5238 17634.9064 0.0000 0.0000 34421.5043 -149048.1374 300.6116 -183469.6416 -148951.7265 299.1111 -119.3806 -82.4063 558189.8807 -15.2304 -15.3966 PRESSURE: 1256800 171.143 92.9618 67.1325 92.9621 292.699 0.691657 67.1328 0.690691 87.6619 GPRESSURE: 1256800 203.795 85.1681 -46.3647 86.3756 280.294 -96.3084 79.9462 36.5651 153.902 PRESSAVG: 1256800 -1.00847 -31.0976 -28.6784 -31.0977 -38.7751 -13.0064 -28.6785 -13.0063 110.971 GPRESSAVG: 1256800 -1.05796 -30.1298 -28.2262 -29.7112 -38.8325 -10.9659 -28.3271 -12.9073 110.423 TIMING: 1256800 CPU: 3780.99, 0.00300467/step Wall: 3780.99, 0.00300467/step, 3.12419 hours remaining, 208.777344 MB of memory in use. ENERGY: 1256800 740.3967 2001.5610 1898.0185 101.4316 -206083.3752 17842.5285 0.0000 0.0000 34582.3005 -148917.1383 302.0158 -183499.4389 -148812.4604 299.8291 183.8347 212.6639 556303.0818 23.7292 23.5109 PRESSURE: 1257000 -139.471 17.139 -27.3543 17.1391 -24.2986 20.1063 -27.352 20.1084 2.50621 GPRESSURE: 1257000 -96.7809 49.6089 -38.5079 7.28947 58.5808 46.9795 -68.6581 -51.6447 -22.4159 PRESSAVG: 1257000 -40.2161 13.6704 -1.42485 13.6703 -23.3939 14.0112 -1.42492 14.011 -1.25034 GPRESSAVG: 1257000 -39.8126 15.8991 -3.57116 10.7264 -22.8366 14.9346 -0.528733 10.9196 -1.95618 TIMING: 1257000 CPU: 3781.6, 0.00304234/step Wall: 3781.6, 0.00304234/step, 3.16319 hours remaining, 208.777344 MB of memory in use. ENERGY: 1257000 714.5672 2038.5996 1951.1647 110.4181 -205931.8974 17653.9435 0.0000 0.0000 34367.2102 -149095.9942 300.1374 -183463.2044 -148997.7226 299.5954 -53.7543 -20.2053 557841.6213 -21.6201 -21.5351 PRESSURE: 1257200 -211.676 -72.4635 -7.20663 -72.463 -52.3724 46.4905 -7.20625 46.491 -100.305 GPRESSURE: 1257200 -161.208 -24.7357 -68.9929 -62.5741 -50.603 72.0804 47.7017 6.36869 -51.3916 PRESSAVG: 1257200 -90.2196 14.2914 -41.3181 14.2914 99.0062 -11.7513 -41.3181 -11.7514 -21.5989 GPRESSAVG: 1257200 -91.2263 14.2511 -38.2864 13.6023 99.6702 -12.1409 -43.461 -9.96694 -21.4994 TIMING: 1257200 CPU: 3782.2, 0.00301902/step Wall: 3782.2, 0.00301902/step, 3.13878 hours remaining, 208.777344 MB of memory in use. ENERGY: 1257200 725.8018 2056.9508 1938.4917 118.0361 -205822.4749 17508.6381 0.0000 0.0000 34221.5637 -149252.9927 298.8654 -183474.5564 -149149.6191 299.4187 -121.4509 -87.7343 556607.2239 -4.2707 -4.3518 PRESSURE: 1257400 130.162 110.116 83.9015 110.115 -94.9394 92.0883 83.902 92.0872 -187.64 GPRESSURE: 1257400 153.31 120.932 85.0647 81.8628 -64.2094 -40.0855 115.6 31.026 -137.412 PRESSAVG: 1257400 -18.3416 -5.86399 28.0394 -5.86397 59.286 -31.1635 28.0394 -31.1635 -14.0541 GPRESSAVG: 1257400 -17.6943 -4.99427 25.0672 -4.35626 57.8232 -33.2747 32.1078 -29.5377 -12.8124 TIMING: 1257400 CPU: 3782.8, 0.00301591/step Wall: 3782.8, 0.00301591/step, 3.13537 hours remaining, 208.777344 MB of memory in use. ENERGY: 1257400 750.5602 2040.2409 1922.7874 102.1930 -206372.6865 17982.4568 0.0000 0.0000 34293.0889 -149281.3592 299.4901 -183574.4481 -149182.8559 299.1566 -50.8059 -16.1040 556603.0984 8.9634 9.1055 PRESSURE: 1257600 129.136 41.6152 71.0578 41.6149 -60.918 91.5419 71.0574 91.5426 -141.375 GPRESSURE: 1257600 129.324 -46.6965 92.2061 67.8393 -36.9935 59.77 63.4609 76.4055 -67.2894 PRESSAVG: 1257600 36.4288 36.5343 -7.25725 36.5343 5.49649 -26.8664 -7.25715 -26.8664 -36.9798 GPRESSAVG: 1257600 35.638 33.3167 -6.6977 37.5788 6.62748 -24.2871 -9.19942 -28.8249 -37.6959 TIMING: 1257600 CPU: 3783.41, 0.00301769/step Wall: 3783.41, 0.00301769/step, 3.13706 hours remaining, 208.777344 MB of memory in use. ENERGY: 1257600 724.6603 2055.6509 1932.4246 108.0719 -205936.3357 17677.9657 0.0000 0.0000 34188.8796 -149248.6827 298.5800 -183437.5623 -149150.3639 299.2940 -24.3857 8.3470 556822.0683 1.6485 1.5232 PRESSURE: 1257800 -46.1746 150.418 9.65066 150.418 -61.5643 12.6222 9.64966 12.6232 50.1611 GPRESSURE: 1257800 3.55275 161.686 92.6582 107.995 12.5475 -15.3822 -38.7417 68.2565 21.7642 PRESSAVG: 1257800 31.5219 41.0598 -9.02239 41.0598 -15.5515 33.8412 -9.02247 33.8412 12.8938 GPRESSAVG: 1257800 31.8743 44.6515 -7.73609 38.8834 -15.324 32.6062 -9.32963 35.0331 11.897 TIMING: 1257800 CPU: 3784.01, 0.00301032/step Wall: 3784.01, 0.00301032/step, 3.12923 hours remaining, 208.777344 MB of memory in use. ENERGY: 1257800 757.7786 2027.8767 1943.3220 116.7034 -205766.9919 17725.6495 0.0000 0.0000 34015.9743 -149179.6874 297.0700 -183195.6618 -149088.4102 298.6821 -19.1926 12.6215 556248.6659 9.6214 9.4824 PRESSURE: 1258000 -183.489 267.998 -82.7157 267.998 -16.2601 178.994 -82.7168 178.992 -105.276 GPRESSURE: 1258000 -115.267 285.147 -37.7998 265.783 -7.05909 100.147 -111.693 198.42 -87.7328 PRESSAVG: 1258000 8.63692 0.147325 -32.1344 0.147349 11.1104 -28.4272 -32.1343 -28.4271 3.30128 GPRESSAVG: 1258000 9.16399 -2.34978 -32.1172 2.87994 11.2881 -28.5707 -31.9288 -30.2397 2.598 TIMING: 1258000 CPU: 3784.61, 0.00299561/step Wall: 3784.61, 0.00299561/step, 3.11377 hours remaining, 208.835938 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: 1258000 732.9891 2032.7005 1938.8273 121.6483 -205653.6882 17464.2162 0.0000 0.0000 34131.5575 -149231.7493 298.0794 -183363.3068 -149138.8041 299.0227 -101.6750 -70.0198 558590.6840 7.6829 7.6834 PRESSURE: 1258200 -314.151 -31.9853 43.3111 -31.9843 -159.067 154.22 43.3123 154.221 -433.957 GPRESSURE: 1258200 -278.577 -52.7217 30.1878 27.9313 -110.852 155.558 113.71 149.969 -404.682 PRESSAVG: 1258200 44.6766 47.0166 -25.7826 47.0167 -36.2694 -29.7019 -25.7826 -29.7018 -41.374 GPRESSAVG: 1258200 42.4965 46.2276 -24.5704 46.186 -35.09 -28.3947 -27.4172 -29.687 -40.3691 TIMING: 1258200 CPU: 3785.21, 0.00302631/step Wall: 3785.21, 0.00302631/step, 3.14552 hours remaining, 208.835938 MB of memory in use. ENERGY: 1258200 745.7115 2055.3996 1965.8352 109.8762 -205717.1384 17426.4781 0.0000 0.0000 34189.1817 -149224.6560 298.5826 -183413.8377 -149133.1206 298.7672 -302.3920 -264.7037 558012.6572 -10.9889 -10.9875 PRESSURE: 1258400 155.153 109.493 134.583 109.494 -49.5641 -59.8501 134.584 -59.8509 -215.723 GPRESSURE: 1258400 155.688 113.36 84.6171 76.8683 -18.2869 -72.3237 200.183 47.2449 -141.556 PRESSAVG: 1258400 -18.6275 65.65 10.9813 65.65 10.5787 -1.43721 10.9813 -1.43719 17.1002 GPRESSAVG: 1258400 -18.0887 66.2237 9.86961 65.4383 9.50795 -2.50861 13.8862 -0.359702 18.2868 TIMING: 1258400 CPU: 3785.82, 0.0030365/step Wall: 3785.82, 0.0030365/step, 3.15594 hours remaining, 208.835938 MB of memory in use. ENERGY: 1258400 753.2113 2012.7292 1940.4760 111.7999 -206134.8727 17760.0669 0.0000 0.0000 34289.3514 -149267.2379 299.4574 -183556.5894 -149166.4532 299.3746 -36.7113 -1.3847 556103.7057 3.0171 3.2353 PRESSURE: 1258600 81.162 -88.8316 98.5418 -88.8303 226.293 182.819 98.5419 182.819 6.72841 GPRESSURE: 1258600 91.3263 -125.012 27.7267 -79.5132 245.42 127.26 114.884 206.249 80.323 PRESSAVG: 1258600 -22.3389 -20.0786 8.3123 -20.0785 34.614 9.83429 8.31231 9.83412 4.01675 GPRESSAVG: 1258600 -21.9503 -18.0611 10.1229 -19.2233 35.949 10.8591 5.73373 7.50419 2.60225 TIMING: 1258600 CPU: 3786.43, 0.00304222/step Wall: 3786.43, 0.00304222/step, 3.16171 hours remaining, 208.835938 MB of memory in use. ENERGY: 1258600 734.7998 2085.8844 1938.3113 112.5587 -206590.3677 18138.5428 0.0000 0.0000 34327.8586 -149252.4122 299.7937 -183580.2708 -149153.0984 299.2414 104.7277 139.0229 556675.2852 5.4306 5.5337 PRESSURE: 1258800 144.356 137.817 -14.4573 137.817 -106.138 15.0945 -14.4592 15.0944 -283.075 GPRESSURE: 1258800 91.7301 67.3855 8.02747 114.513 -29.8041 55.133 -51.3631 -5.82743 -210.305 PRESSAVG: 1258800 0.525186 22.3271 54.1454 22.3272 5.78462 -2.96121 54.1454 -2.96123 -25.7595 GPRESSAVG: 1258800 -0.237053 19.6134 53.7612 21.7745 5.30206 -3.30255 54.7976 -2.20231 -24.2876 TIMING: 1258800 CPU: 3787.03, 0.00302054/step Wall: 3787.03, 0.00302054/step, 3.13901 hours remaining, 208.835938 MB of memory in use. ENERGY: 1258800 780.5260 2074.4117 1958.5007 111.9974 -206331.6442 17714.4400 0.0000 0.0000 34345.6199 -149346.1485 299.9488 -183691.7684 -149248.0563 299.1859 -81.6189 -49.4597 557461.2815 -6.4832 -6.4075 PRESSURE: 1259000 218.582 28.0434 32.1397 28.0426 133.557 -67.1457 32.1393 -67.1462 -188.786 GPRESSURE: 1259000 203.842 -19.2437 -64.8239 109.483 112.232 -29.9575 32.0869 -128.456 -60.9247 PRESSAVG: 1259000 6.09464 -25.6041 55.3397 -25.6041 -15.618 11.1348 55.3396 11.1347 29.7115 GPRESSAVG: 1259000 6.94859 -22.525 53.9527 -27.5641 -15.3651 10.1506 57.463 12.9943 28.9883 TIMING: 1259000 CPU: 3787.64, 0.00302475/step Wall: 3787.64, 0.00302475/step, 3.14322 hours remaining, 208.835938 MB of memory in use. ENERGY: 1259000 786.9728 2105.1184 1929.7382 111.5297 -206231.0480 17916.1199 0.0000 0.0000 34102.8954 -149278.6736 297.8291 -183381.5690 -149185.1343 298.8233 54.4511 85.0496 557678.3735 6.7294 6.8573 PRESSURE: 1259200 198.493 12.0025 23.5957 12.0013 352.08 19.4473 23.5955 19.4463 39.0195 GPRESSURE: 1259200 202.944 57.5751 50.8728 -2.25206 430.226 -11.4258 -6.7001 52.6113 69.047 PRESSAVG: 1259200 -42.4822 31.5901 16.5099 31.5902 31.688 -44.1012 16.5099 -44.1011 24.1337 GPRESSAVG: 1259200 -41.6605 31.0047 17.5814 32.6047 30.3987 -45.4458 15.5939 -42.819 24.7581 TIMING: 1259200 CPU: 3788.25, 0.00303417/step Wall: 3788.25, 0.00303417/step, 3.15284 hours remaining, 208.835938 MB of memory in use. ENERGY: 1259200 736.6766 2099.4492 1932.1187 100.6944 -206539.0111 18047.0957 0.0000 0.0000 34349.1201 -149273.8564 299.9794 -183622.9765 -149174.2511 298.9076 196.5309 234.0724 556705.6458 4.4465 4.4988 PRESSURE: 1259400 -232.852 -162.563 -197.284 -162.564 303.505 -10.9235 -197.284 -10.923 56.7295 GPRESSURE: 1259400 -128.22 -128.755 -80.3649 -209.969 311.501 32.287 -241.768 -73.4083 44.989 PRESSAVG: 1259400 15.7786 -50.8485 -42.2064 -50.8485 19.5167 -66.304 -42.2064 -66.304 -4.66053 GPRESSAVG: 1259400 14.148 -52.9483 -43.5028 -51.1502 21.0293 -65.6835 -42.3582 -65.3592 -4.38577 TIMING: 1259400 CPU: 3788.85, 0.00304351/step Wall: 3788.85, 0.00304351/step, 3.16238 hours remaining, 208.835938 MB of memory in use. ENERGY: 1259400 732.8650 2100.6918 1913.7659 119.7358 -206502.4116 17871.2232 0.0000 0.0000 34433.1213 -149331.0086 300.7130 -183764.1299 -149237.1680 299.0070 42.4607 76.0899 556290.8858 10.2116 10.2639 PRESSURE: 1259600 -93.9958 -150.915 64.3196 -150.915 -26.2185 112.019 64.3197 112.019 -367.25 GPRESSURE: 1259600 -96.3793 -185.176 25.5379 -158.208 26.9234 129.57 117.969 95.8017 -312.012 PRESSAVG: 1259600 9.76527 -50.24 42.8068 -50.24 37.0472 -20.3821 42.8069 -20.3821 -34.5023 GPRESSAVG: 1259600 11.0284 -46.1967 42.2361 -51.3049 36.262 -18.2648 42.545 -22.9676 -35.4371 TIMING: 1259600 CPU: 3789.46, 0.00303856/step Wall: 3789.46, 0.00303856/step, 3.15707 hours remaining, 208.835938 MB of memory in use. ENERGY: 1259600 785.6448 2073.5038 1927.7571 112.3230 -205880.3681 17582.6252 0.0000 0.0000 34041.3314 -149357.1828 297.2914 -183398.5142 -149256.6738 298.7989 -162.4881 -127.1560 556719.2166 4.1034 3.9511 PRESSURE: 1259800 -168.441 -245.342 -18.431 -245.341 -385.325 16.885 -18.4313 16.886 -59.3819 GPRESSURE: 1259800 -149.762 -218.326 -67.0955 -273.305 -347.774 -111.311 88.5097 148.402 -19.7418 PRESSAVG: 1259800 30.2805 -68.4353 -25.8419 -68.4354 -9.38198 8.27248 -25.8418 8.27259 -15.4087 GPRESSAVG: 1259800 28.2438 -71.2469 -24.9046 -64.7905 -8.67198 7.98458 -26.2858 7.0926 -14.3058 TIMING: 1259800 CPU: 3790.07, 0.00303912/step Wall: 3790.07, 0.00303912/step, 3.15747 hours remaining, 208.835938 MB of memory in use. ENERGY: 1259800 757.3000 2038.7596 1919.9838 109.5874 -205580.4655 17399.9116 0.0000 0.0000 33943.7400 -149411.1832 296.4391 -183354.9232 -149322.2402 297.8087 -204.3824 -172.4258 557290.1457 1.8299 1.7553 PRESSURE: 1260000 -269.086 112.579 28.8079 112.579 -324.147 70.6097 28.809 70.6111 -53.6152 GPRESSURE: 1260000 -226.036 132.615 -42.3479 168.764 -306.369 121.912 49.0875 39.8131 1.99551 PRESSAVG: 1260000 27.5993 1.51669 -30.3723 1.51677 -31.5263 -7.35058 -30.3723 -7.35059 9.45451 GPRESSAVG: 1260000 28.5697 3.05903 -29.2427 -0.486482 -32.6034 -5.83144 -31.1397 -6.24256 9.82666 TIMING: 1260000 CPU: 3790.68, 0.00304672/step Wall: 3790.68, 0.00304672/step, 3.16521 hours remaining, 208.941406 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: 1260000 733.3299 2076.4319 1941.5259 107.2808 -205787.3377 17495.3336 0.0000 0.0000 34149.2415 -149284.1941 298.2338 -183433.4356 -149188.6803 299.4533 -215.6159 -176.8030 558752.6860 1.8425 1.9310 PRESSURE: 1260200 27.8942 70.9213 43.5332 70.9202 152.177 131.68 43.532 131.681 93.7313 GPRESSURE: 1260200 72.9894 55.1907 -43.3736 125.503 241.1 61.5329 73.6659 110.169 48.806 PRESSAVG: 1260200 37.4999 29.5876 -3.4117 29.5875 18.0078 -21.3741 -3.41166 -21.3741 -49.2059 GPRESSAVG: 1260200 37.8754 29.4754 -4.40499 28.815 18.3076 -22.4811 -1.11603 -20.7135 -50.3523 TIMING: 1260200 CPU: 3791.29, 0.00304426/step Wall: 3791.29, 0.00304426/step, 3.16248 hours remaining, 208.941406 MB of memory in use. ENERGY: 1260200 755.1899 2039.9249 1937.7621 105.3942 -206095.4604 17825.5367 0.0000 0.0000 34146.6798 -149284.9729 298.2114 -183431.6527 -149189.5962 299.1008 91.2674 120.9651 556136.9804 2.1006 1.9436 LDB: ============= START OF LOAD BALANCING ============== 3794.81 LDB: ============== END OF LOAD BALANCING =============== 3794.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3794.81 LDB: ============= START OF LOAD BALANCING ============== 3795.12 LDB: Largest compute 4800 load 0.027048 is 22.9% of average load 0.117896 LDB: Average compute 0.001755 is 1.5% of average load 0.117896 LDB: TIME 3795.12 LOAD: AVG 0.117896 MAX 0.217017 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.492 MB LDB: TIME 3795.12 LOAD: AVG 0.117896 MAX 0.217017 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.492 MB LDB: TIME 3795.12 LOAD: AVG 0.117896 MAX 0.217017 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.492 MB LDB: ============== END OF LOAD BALANCING =============== 3795.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3795.12 PRESSURE: 1260400 125.199 -74.3231 3.58606 -74.3239 109.213 188.446 3.58611 188.446 209.237 GPRESSURE: 1260400 96.1279 -47.413 -99.9106 -117.328 162.84 172.714 15.9935 44.1331 281.648 PRESSAVG: 1260400 -30.9425 42.3664 52.2282 42.3663 -46.9808 -29.6768 52.2281 -29.6769 24.9444 GPRESSAVG: 1260400 -30.5636 39.8385 52.3703 43.5968 -46.1962 -31.5876 51.0438 -28.2827 24.1101 TIMING: 1260400 CPU: 3791.91, 0.00310039/step Wall: 3791.91, 0.00310039/step, 3.22061 hours remaining, 207.230469 MB of memory in use. ENERGY: 1260400 786.3045 2110.6743 1973.3437 108.5448 -206529.3907 17993.1497 0.0000 0.0000 34188.5897 -149368.7840 298.5775 -183557.3737 -149267.7821 299.2105 147.8828 180.2052 556280.9760 -17.6596 -17.5499 PRESSURE: 1260600 -191.63 3.75179 24.0276 3.75115 -161.366 -39.5686 24.027 -39.5713 19.0647 GPRESSURE: 1260600 -147.173 35.528 15.065 -49.4584 -128.461 -131.443 60.2985 26.681 43.3216 PRESSAVG: 1260600 -76.3536 -44.0055 30.5555 -44.0055 -9.52908 -31.2214 30.5555 -31.2214 49.3829 GPRESSAVG: 1260600 -76.7162 -42.1667 33.5698 -45.7131 -11.3804 -30.0933 29.2568 -31.5728 51.3771 TIMING: 1260600 CPU: 3792.52, 0.00304217/step Wall: 3792.52, 0.00304217/step, 3.15997 hours remaining, 207.953125 MB of memory in use. ENERGY: 1260600 791.4581 2121.1000 1945.6641 103.2360 -206293.7711 17608.6496 0.0000 0.0000 34327.3662 -149396.2971 299.7894 -183723.6633 -149303.4348 298.7013 -111.3105 -77.4374 556158.1095 -12.1666 -12.2398 PRESSURE: 1260800 -255.137 8.33495 -43.7919 8.33513 -254.934 -124.754 -43.7913 -124.753 17.4296 GPRESSURE: 1260800 -241.13 -68.5457 61.0023 76.332 -202.822 -127.189 -95.6508 -22.7715 64.7641 PRESSAVG: 1260800 -44.1206 1.71965 31.4296 1.71965 -78.8551 6.1445 31.4296 6.14433 113.199 GPRESSAVG: 1260800 -43.8887 0.807586 28.9735 2.19151 -78.6336 6.54015 31.4083 6.69534 112.965 TIMING: 1260800 CPU: 3793.12, 0.00303206/step Wall: 3793.12, 0.00303206/step, 3.1493 hours remaining, 207.953125 MB of memory in use. ENERGY: 1260800 729.5768 2113.9969 1958.3346 112.7776 -206232.6685 17754.9893 0.0000 0.0000 34101.2377 -149461.7554 297.8146 -183562.9932 -149363.7986 299.1168 -164.2136 -126.3958 558102.1113 -3.2591 -3.1858 PRESSURE: 1261000 147.387 12.0011 193.855 12.0017 15.1756 71.2095 193.853 71.209 -45.9274 GPRESSURE: 1261000 132.063 9.10494 199.091 25.903 64.5798 137.1 149.211 37.1584 7.88856 PRESSAVG: 1261000 -36.8683 54.2299 56.1343 54.2299 -25.8912 25.7978 56.1343 25.7978 18.1318 GPRESSAVG: 1261000 -37.1925 56.5872 57.8951 52.8201 -24.7216 25.4028 56.3981 25.4036 17.335 TIMING: 1261000 CPU: 3793.73, 0.00301146/step Wall: 3793.73, 0.00301146/step, 3.12773 hours remaining, 207.953125 MB of memory in use. ENERGY: 1261000 744.6242 2054.7776 1933.6782 109.6182 -206372.3545 17869.8859 0.0000 0.0000 34282.0456 -149377.7248 299.3936 -183659.7704 -149286.3238 298.6272 38.8785 68.1771 556237.3690 -14.8759 -14.8597 PRESSURE: 1261200 50.2268 69.6528 -127.108 69.653 209.829 -213.692 -127.107 -213.692 -141.251 GPRESSURE: 1261200 56.4821 12.1591 -156.73 69.7403 201.715 -296.605 -41.0113 -206.885 -47.1101 PRESSAVG: 1261200 23.8014 17.1915 5.03245 17.1916 -43.0609 0.798855 5.03242 0.798726 68.1793 GPRESSAVG: 1261200 24.7711 15.9505 4.7361 17.7124 -43.6503 -1.09126 4.93468 0.785939 68.2186 TIMING: 1261200 CPU: 3794.33, 0.00301202/step Wall: 3794.33, 0.00301202/step, 3.12815 hours remaining, 207.953125 MB of memory in use. ENERGY: 1261200 776.5610 1988.5964 1937.8134 103.3511 -206766.6265 18004.8137 0.0000 0.0000 34484.0027 -149471.4883 301.1574 -183955.4910 -149373.6632 298.5567 39.6014 70.3622 555018.1705 16.3066 16.4465 PRESSURE: 1261400 199.562 77.7861 10.8926 77.7863 -60.807 -21.3934 10.8934 -21.3929 1.93929 GPRESSURE: 1261400 250.084 95.9731 93.0353 132.437 -18.8431 -19.3952 -56.6014 -77.5204 11.3486 PRESSAVG: 1261400 73.4483 65.8238 -57.8103 65.8237 -102.433 -34.5223 -57.8104 -34.5223 0.535978 GPRESSAVG: 1261400 72.0248 67.1354 -59.1827 65.2744 -100.499 -33.6019 -57.1799 -35.095 0.603698 TIMING: 1261400 CPU: 3794.94, 0.00306993/step Wall: 3794.94, 0.00306993/step, 3.18812 hours remaining, 207.953125 MB of memory in use. ENERGY: 1261400 770.7548 2067.6587 1949.9476 113.9036 -206606.3897 17929.6346 0.0000 0.0000 34286.2131 -149488.2774 299.4300 -183774.4904 -149392.1976 298.8966 46.8980 80.8631 555994.8335 -9.4830 -9.2903 PRESSURE: 1261600 12.217 128.401 -98.097 128.401 135.566 100.117 -98.0982 100.118 -84.4509 GPRESSURE: 1261600 46.7023 97.3945 -68.7499 160.941 157.311 149.309 -109.316 100.241 -54.6038 PRESSAVG: 1261600 28.6465 28.303 -44.8393 28.303 -31.0842 -38.8284 -44.8393 -38.8284 -14.3486 GPRESSAVG: 1261600 30.0491 26.1704 -45.2713 27.6441 -31.6856 -37.3629 -45.8189 -38.6365 -14.9983 TIMING: 1261600 CPU: 3795.55, 0.00302377/step Wall: 3795.55, 0.00302377/step, 3.14001 hours remaining, 207.953125 MB of memory in use. ENERGY: 1261600 736.5292 2083.3174 1912.8941 100.5176 -206387.8716 17919.1266 0.0000 0.0000 34218.7692 -149416.7175 298.8410 -183635.4867 -149317.1596 299.1555 21.1107 49.8031 556334.8157 -5.5955 -5.5449 PRESSURE: 1261800 81.0414 31.235 -39.9747 31.2356 199.52 73.0984 -39.9744 73.0971 -87.7156 GPRESSURE: 1261800 114.329 65.0031 -45.0214 28.327 246.929 -6.88921 -93.439 114.853 -83.3082 PRESSAVG: 1261800 -15.6626 -24.2517 -34.3818 -24.2518 52.8398 -80.04 -34.3818 -80.04 10.2123 GPRESSAVG: 1261800 -14.9042 -24.3219 -33.2193 -21.6855 52.1573 -80.7984 -36.4602 -79.7317 10.1692 TIMING: 1261800 CPU: 3796.15, 0.00300841/step Wall: 3796.15, 0.00300841/step, 3.1239 hours remaining, 207.953125 MB of memory in use. ENERGY: 1261800 716.5460 2068.9875 1905.0138 105.0803 -206444.1189 17940.3357 0.0000 0.0000 34259.0661 -149449.0895 299.1929 -183708.1557 -149343.1686 298.6722 64.2821 92.6501 555959.9139 15.7965 15.8074 PRESSURE: 1262000 15.1842 -43.5825 -83.8749 -43.5813 -34.3048 64.8662 -83.8747 64.8673 91.3533 GPRESSURE: 1262000 64.3035 -135.249 -64.8982 -47.6597 25.7148 59.5613 -91.1977 43.4236 81.5786 PRESSAVG: 1262000 -45.9591 22.2881 40.4653 22.2881 -19.3167 -6.43994 40.4654 -6.43989 19.5551 GPRESSAVG: 1262000 -47.5867 22.3663 38.0845 22.7755 -18.887 -2.984 45.6182 -6.80509 20.8728 TIMING: 1262000 CPU: 3796.76, 0.00305568/step Wall: 3796.76, 0.00305568/step, 3.17282 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: 1262000 742.7574 2060.5874 1922.6163 105.8333 -206278.1885 17786.0490 0.0000 0.0000 34209.1736 -149451.1715 298.7572 -183660.3451 -149354.6644 298.3743 24.0775 57.1990 554977.9621 -15.2402 -15.2003 PRESSURE: 1262200 -62.6502 96.1354 -69.4948 96.1364 36.6153 -95.1775 -69.4948 -95.1787 21.5167 GPRESSURE: 1262200 14.7267 104.061 50.1836 85.9959 47.4265 -42.3596 -54.5753 -121.088 28.9188 PRESSAVG: 1262200 -24.7939 16.2775 59.1169 16.2774 6.21517 -23.3558 59.1169 -23.3559 0.101861 GPRESSAVG: 1262200 -24.2253 15.9973 61.6447 12.9052 5.11817 -25.9794 57.1459 -23.4972 0.368464 TIMING: 1262200 CPU: 3797.37, 0.0030346/step Wall: 3797.37, 0.0030346/step, 3.15076 hours remaining, 207.953125 MB of memory in use. ENERGY: 1262200 740.7632 2021.3287 1934.0813 102.0376 -205738.3558 17492.9560 0.0000 0.0000 34089.2267 -149357.9622 297.7097 -183447.1889 -149258.7813 298.7052 -1.5061 30.3573 556003.8920 -6.1590 -6.2462 PRESSURE: 1262400 -72.6798 167.732 31.646 167.731 133.897 -107.992 31.6459 -107.993 84.7305 GPRESSURE: 1262400 -31.3876 106.188 18.5392 228.776 209.924 -31.6296 19.0419 -124.353 72.2233 PRESSAVG: 1262400 -56.4476 46.145 29.4358 46.145 15.8313 -47.8722 29.4357 -47.8722 42.41 GPRESSAVG: 1262400 -57.326 45.7872 28.168 46.7051 17.2833 -47.3816 28.8955 -47.8958 41.8354 TIMING: 1262400 CPU: 3797.98, 0.00304394/step Wall: 3797.98, 0.00304394/step, 3.16028 hours remaining, 207.953125 MB of memory in use. ENERGY: 1262400 732.9291 2074.6803 1921.8024 107.8027 -206321.4118 17965.2259 0.0000 0.0000 34194.5645 -149324.4069 298.6296 -183518.9714 -149231.3693 298.3598 48.6491 83.5866 556477.3610 0.5979 0.5976 PRESSURE: 1262600 -54.1808 7.40839 -53.8434 7.40851 57.1038 -157.811 -53.842 -157.811 -143.07 GPRESSURE: 1262600 -32.5074 29.6728 -64.3471 -12.0371 59.4963 -162.879 43.2452 -207.656 -76.3154 PRESSAVG: 1262600 -54.6294 -7.80349 -25.183 -7.80345 42.178 -13.1813 -25.1831 -13.1813 0.77308 GPRESSAVG: 1262600 -54.0358 -7.69592 -25.0977 -6.60066 41.2737 -14.2385 -24.8218 -11.9533 1.0316 TIMING: 1262600 CPU: 3798.58, 0.00303867/step Wall: 3798.58, 0.00303867/step, 3.15464 hours remaining, 207.953125 MB of memory in use. ENERGY: 1262600 720.4892 2076.3421 1941.9559 113.6878 -206335.7833 17797.0985 0.0000 0.0000 34131.6571 -149554.5527 298.0803 -183686.2098 -149459.0970 298.2721 -46.7158 -16.4422 557437.7386 -3.8928 -3.9102 PRESSURE: 1262800 268.547 13.7611 105.493 13.7607 -28.9078 -9.04182 105.493 -9.04076 -196.813 GPRESSURE: 1262800 243.978 29.3079 108.629 62.8511 24.7671 55.5093 31.9885 -76.4669 -131.423 PRESSAVG: 1262800 -4.54553 -23.417 -12.6235 -23.4171 -8.57916 -17.9865 -12.6236 -17.9865 -14.0499 GPRESSAVG: 1262800 -5.45718 -23.1986 -12.8829 -21.6703 -8.38674 -18.1648 -13.0803 -19.5436 -13.145 TIMING: 1262800 CPU: 3799.18, 0.00299419/step Wall: 3799.18, 0.00299419/step, 3.1083 hours remaining, 207.953125 MB of memory in use. ENERGY: 1262800 708.6607 2068.8818 1921.3029 103.2976 -206038.5511 17686.2546 0.0000 0.0000 33993.0994 -149557.0541 296.8702 -183550.1535 -149467.3289 298.5385 14.2755 45.7739 557284.4250 -9.0582 -8.9963 PRESSURE: 1263000 -86.4613 154.409 -27.4878 154.407 98.8631 -32.7386 -27.4872 -32.7375 115.137 GPRESSURE: 1263000 -15.6426 168.831 -8.1136 104.02 55.1484 60.953 -32.749 -27.7298 189.141 PRESSAVG: 1263000 -17.3429 -19.6971 -43.2621 -19.6971 -18.4219 -8.11006 -43.262 -8.11003 -20.1369 GPRESSAVG: 1263000 -15.7266 -19.2015 -43.1357 -19.2471 -18.412 -8.88914 -42.6797 -6.3905 -21.8058 TIMING: 1263000 CPU: 3799.78, 0.00299542/step Wall: 3799.78, 0.00299542/step, 3.10941 hours remaining, 207.953125 MB of memory in use. ENERGY: 1263000 756.1875 2061.8333 1909.3152 116.4239 -206748.6765 17939.0362 0.0000 0.0000 34482.4914 -149483.3890 301.1442 -183965.8805 -149387.4281 298.7161 42.5130 76.2156 556608.0133 -18.6339 -18.6482 PRESSURE: 1263200 257.825 -71.1466 127.376 -71.1473 92.463 -76.0299 127.376 -76.0317 253.58 GPRESSURE: 1263200 327.53 -27.1343 172.935 2.62529 85.057 -65.1665 88.6719 -71.6174 299.547 PRESSAVG: 1263200 -12.5436 31.527 -57.803 31.527 -6.85994 -38.9174 -57.803 -38.9175 24.5726 GPRESSAVG: 1263200 -13.0181 30.8307 -58.7747 30.1996 -7.63896 -36.0274 -57.1174 -40.7637 26.5167 TIMING: 1263200 CPU: 3800.38, 0.00301793/step Wall: 3800.38, 0.00301793/step, 3.13261 hours remaining, 207.953125 MB of memory in use. ENERGY: 1263200 744.4115 2084.6556 1954.4557 107.9901 -206538.6647 18064.1556 0.0000 0.0000 34175.3469 -149407.6493 298.4618 -183582.9962 -149314.1252 298.5331 201.2896 237.3779 555564.7456 1.7230 1.9532 PRESSURE: 1263400 17.6969 43.4617 36.8577 43.4629 13.8147 -50.9046 36.8579 -50.905 -206.258 GPRESSURE: 1263400 11.9764 -68.6855 48.2313 91.9619 9.75585 -39.8883 74.2102 -29.5009 -89.7246 PRESSAVG: 1263400 -80.548 46.0219 -8.70949 46.022 49.3562 18.5452 -8.70953 18.5452 11.2516 GPRESSAVG: 1263400 -79.934 48.8334 -8.21022 46.0158 51.1684 18.2769 -10.2948 19.0875 9.34581 TIMING: 1263400 CPU: 3800.99, 0.00302922/step Wall: 3800.99, 0.00302922/step, 3.14416 hours remaining, 207.953125 MB of memory in use. ENERGY: 1263400 744.8206 2085.0941 1940.2382 122.8624 -206015.0006 17554.6323 0.0000 0.0000 34155.6449 -149411.7080 298.2897 -183567.3529 -149315.7091 298.8291 -58.2489 -22.6641 555616.4654 -6.6467 -6.4733 PRESSURE: 1263600 -111.698 76.9444 -6.93123 76.9437 -185.779 -112.633 -6.93083 -112.634 -315.777 GPRESSURE: 1263600 -99.3554 57.3923 40.2299 41.0088 -81.7182 -139.79 -105.835 -66.3283 -331.22 PRESSAVG: 1263600 48.4638 14.5502 32.1621 14.5502 37.9364 26.7769 32.1621 26.7769 -104.4 GPRESSAVG: 1263600 46.9622 11.0168 32.8654 14.5142 38.3333 25.0367 30.8132 28.1541 -103.982 TIMING: 1263600 CPU: 3801.59, 0.00299804/step Wall: 3801.59, 0.00299804/step, 3.11164 hours remaining, 207.953125 MB of memory in use. ENERGY: 1263600 745.2697 2031.5778 1937.7954 101.2237 -205776.8090 17522.5331 0.0000 0.0000 34095.2400 -149343.1694 297.7622 -183438.4094 -149247.3103 298.8946 -204.4181 -170.7645 559281.6183 -5.9999 -6.2287 PRESSURE: 1263800 -110.4 22.3434 125.001 22.3428 9.51926 -56.6491 125.001 -56.6493 -270.616 GPRESSURE: 1263800 -41.7614 53.2121 138.95 60.9963 3.24051 -38.9688 170.079 -1.81825 -246.191 PRESSAVG: 1263800 -9.20068 19.361 48.9533 19.3611 -8.51427 -83.1869 48.9533 -83.1869 13.0578 GPRESSAVG: 1263800 -7.89208 21.3301 48.7597 18.8188 -8.98682 -81.3574 49.2117 -84.0533 12.8129 TIMING: 1263800 CPU: 3802.19, 0.00299807/step Wall: 3802.19, 0.00299807/step, 3.1115 hours remaining, 207.953125 MB of memory in use. ENERGY: 1263800 750.9333 2072.9609 1915.1219 97.0608 -205962.9859 17646.2754 0.0000 0.0000 33994.1899 -149486.4436 296.8797 -183480.6336 -149386.7346 298.4049 -123.8324 -94.9039 558224.7853 -1.5524 -1.3553 PRESSURE: 1264000 -191.189 -37.9426 -5.62764 -37.9416 -48.0822 -29.0131 -5.62806 -29.0124 -150.611 GPRESSURE: 1264000 -98.7763 -76.347 0.0221138 8.04131 -81.5986 19.2362 -26.1059 -42.7029 -123.425 PRESSAVG: 1264000 -52.5297 15.5027 -14.1656 15.5027 36.7622 -53.715 -14.1657 -53.7152 2.37955 GPRESSAVG: 1264000 -52.7972 14.3335 -15.4637 16.4311 36.6482 -55.1251 -13.1409 -53.9346 2.52967 TIMING: 1264000 CPU: 3802.79, 0.00298339/step Wall: 3802.79, 0.00298339/step, 3.0961 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: 1264000 726.7427 2080.1296 1897.6812 113.4999 -206009.1250 17579.8509 0.0000 0.0000 34264.0678 -149347.1530 299.2366 -183611.2208 -149257.0245 298.5791 -129.9607 -101.2665 558593.8062 -4.4627 -4.5398 PRESSURE: 1264200 99.4534 -130.432 -141.645 -130.431 109.294 -34.8202 -141.643 -34.82 -14.4816 GPRESSURE: 1264200 92.239 -154.294 -82.4328 -102.997 163.708 -98.3548 -107.611 -57.7901 45.3346 PRESSAVG: 1264200 23.9506 -28.1422 -12.7455 -28.1423 56.6946 -35.9528 -12.7456 -35.9529 -55.9784 GPRESSAVG: 1264200 23.9242 -27.313 -10.7319 -29.6797 56.6656 -36.56 -14.5781 -34.9227 -55.5831 TIMING: 1264200 CPU: 3803.38, 0.00297802/step Wall: 3803.38, 0.00297802/step, 3.09036 hours remaining, 207.953125 MB of memory in use. ENERGY: 1264200 702.3273 2082.9886 1899.1691 121.7319 -205848.6962 17626.7859 0.0000 0.0000 33922.8892 -149492.8040 296.2570 -183415.6932 -149396.4390 298.3365 64.7551 100.4273 557027.7172 8.2223 8.3356 LDB: ============= START OF LOAD BALANCING ============== 3806.9 LDB: ============== END OF LOAD BALANCING =============== 3806.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3806.9 LDB: ============= START OF LOAD BALANCING ============== 3807.2 LDB: Largest compute 4795 load 0.026371 is 22.4% of average load 0.117816 LDB: Average compute 0.001758 is 1.5% of average load 0.117816 LDB: TIME 3807.21 LOAD: AVG 0.117816 MAX 0.214465 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.781 MB LDB: TIME 3807.21 LOAD: AVG 0.117816 MAX 0.214465 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.984 MB LDB: TIME 3807.21 LOAD: AVG 0.117816 MAX 0.214465 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.984 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3807.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3807.21 PRESSURE: 1264400 208.813 5.31494 40.1595 5.31494 13.3112 -99.9803 40.1595 -99.9796 198.771 GPRESSURE: 1264400 270.949 -1.83121 65.7249 85.5061 63.1682 -152.105 4.31904 -118.189 185.81 PRESSAVG: 1264400 30.9035 -9.19533 -89.3206 -9.19532 -14.0114 -45.8501 -89.3205 -45.8502 -24.3561 GPRESSAVG: 1264400 31.2359 -8.71503 -88.937 -8.51533 -14.2932 -44.7649 -87.9728 -46.1585 -23.8507 TIMING: 1264400 CPU: 3804, 0.00307118/step Wall: 3804, 0.00307118/step, 3.18686 hours remaining, 208.015625 MB of memory in use. ENERGY: 1264400 697.6486 2025.4590 1916.5014 114.2852 -206236.1558 17845.1533 0.0000 0.0000 34207.7533 -149429.3550 298.7448 -183637.1083 -149337.9828 297.8881 140.2983 173.3093 557754.4686 -2.4880 -2.3027 PRESSURE: 1264600 -59.2014 -70.9919 56.47 -70.9933 -155.298 245.365 56.4688 245.365 -170.654 GPRESSURE: 1264600 -48.8947 -100.639 10.9066 -10.379 -112.251 188.787 56.8687 302.689 -135.711 PRESSAVG: 1264600 18.3043 -50.9829 19.2507 -50.983 5.51935 -29.8076 19.2507 -29.8077 -6.19408 GPRESSAVG: 1264600 17.6393 -51.5002 18.7008 -50.9518 5.87896 -30.6257 19.3747 -29.0705 -5.85891 TIMING: 1264600 CPU: 3804.6, 0.00299619/step Wall: 3804.6, 0.00299619/step, 3.10888 hours remaining, 208.273438 MB of memory in use. ENERGY: 1264600 765.2888 2060.8959 1908.8085 105.8779 -206329.2070 17905.4478 0.0000 0.0000 34039.6894 -149543.1987 297.2771 -183582.8881 -149448.4259 298.1060 -128.3842 -98.9524 558039.6995 5.8765 5.8865 PRESSURE: 1264800 10.3912 44.5097 13.407 44.509 4.59074 -14.2467 13.407 -14.2451 203.19 GPRESSURE: 1264800 46.592 47.8035 29.2639 7.3345 68.4525 85.9475 32.5493 -133.91 209.964 PRESSAVG: 1264800 -19.1479 -18.6992 27.6484 -18.6992 1.07187 2.30768 27.6484 2.30756 11.471 GPRESSAVG: 1264800 -18.4421 -18.2528 27.1173 -18.4945 1.40522 2.88705 27.7924 1.08206 11.3898 TIMING: 1264800 CPU: 3805.2, 0.00304021/step Wall: 3805.2, 0.00304021/step, 3.15439 hours remaining, 208.273438 MB of memory in use. ENERGY: 1264800 742.0255 2077.9342 1890.8475 112.3558 -206250.5368 17878.2685 0.0000 0.0000 34001.7005 -149547.4049 296.9453 -183549.1054 -149445.2226 297.9030 72.7241 108.3360 557754.5586 -2.2017 -1.8824 PRESSURE: 1265000 -5.46868 -1.89991 145.595 -1.90116 -20.3974 -68.7809 145.595 -68.7799 -291.991 GPRESSURE: 1265000 8.43781 -2.4748 134.532 -2.52036 -24.4961 -96.5011 146.166 -63.3822 -206.818 PRESSAVG: 1265000 18.0703 -7.80138 49.2961 -7.8014 48.1634 -29.5298 49.2961 -29.5299 -20.2291 GPRESSAVG: 1265000 19.2811 -10.8276 50.3147 -7.65443 48.3967 -31.8594 48.7083 -28.7397 -21.1776 TIMING: 1265000 CPU: 3805.81, 0.00302822/step Wall: 3805.81, 0.00302822/step, 3.14177 hours remaining, 208.273438 MB of memory in use. ENERGY: 1265000 770.0845 2068.4110 1984.1336 115.6789 -206170.6665 17713.2472 0.0000 0.0000 34076.9865 -149442.1248 297.6028 -183519.1113 -149347.6834 298.4293 -105.9524 -74.2921 557741.7860 15.3349 15.5001 PRESSURE: 1265200 -33.1365 59.0749 -205.604 59.0752 52.616 24.9973 -205.604 24.9961 -162.984 GPRESSURE: 1265200 -23.9411 111.976 -119.222 12.7789 97.089 20.7666 -185.015 13.1555 -126.745 PRESSAVG: 1265200 -5.87849 -56.8579 -13.0716 -56.858 37.8045 -22.335 -13.0716 -22.3351 -36.5163 GPRESSAVG: 1265200 -6.74893 -53.3994 -15.3915 -56.8188 37.1452 -21.0747 -13.5557 -21.6669 -34.9711 TIMING: 1265200 CPU: 3806.41, 0.00302048/step Wall: 3806.41, 0.00302048/step, 3.13358 hours remaining, 208.273438 MB of memory in use. ENERGY: 1265200 734.2561 2096.6886 1926.5704 112.5181 -206482.1371 17876.8626 0.0000 0.0000 34299.4100 -149435.8314 299.5453 -183735.2414 -149337.5590 297.8004 -47.8348 -17.8657 558176.0076 -1.5301 -1.5249 PRESSURE: 1265400 178.519 180.173 -124.242 180.171 154.132 24.3674 -124.243 24.3673 -314.441 GPRESSURE: 1265400 225.067 158.083 -304.951 186.662 185.198 72.5554 -24.2442 58.6269 -298.133 PRESSAVG: 1265400 22.0124 8.42605 -70.027 8.42614 -56.4105 3.48161 -70.0269 3.48153 43.9418 GPRESSAVG: 1265400 22.5219 7.42122 -68.8297 8.69464 -56.4397 4.29966 -71.31 3.59583 43.2828 TIMING: 1265400 CPU: 3807.02, 0.0030391/step Wall: 3807.02, 0.0030391/step, 3.15273 hours remaining, 208.273438 MB of memory in use. ENERGY: 1265400 755.2234 2015.8324 1919.4417 116.5107 -206191.8689 17851.5949 0.0000 0.0000 34068.9202 -149464.3456 297.5324 -183533.2658 -149365.0718 298.9447 6.0699 37.3774 555803.5889 3.1812 3.1217 PRESSURE: 1265600 34.7823 -132.84 -58.5869 -132.839 296.417 260.188 -58.5878 260.188 -121.923 GPRESSURE: 1265600 108.256 -56.4957 -70.3266 -170.527 292.807 246.779 -23.8164 332.202 -86.6089 PRESSAVG: 1265600 -37.9411 -51.1429 -30.1393 -51.1428 40.0261 15.3305 -30.1394 15.3304 53.1582 GPRESSAVG: 1265600 -38.5664 -50.7037 -29.5144 -52.5619 40.3809 14.3997 -27.4004 16.1828 53.2171 TIMING: 1265600 CPU: 3807.62, 0.00298594/step Wall: 3807.62, 0.00298594/step, 3.09742 hours remaining, 208.273438 MB of memory in use. ENERGY: 1265600 758.5501 2070.2543 1971.4727 119.2679 -206486.7844 17887.5499 0.0000 0.0000 34049.2572 -149630.4323 297.3606 -183679.6895 -149534.4189 298.2149 69.7587 104.8179 556684.5590 18.4144 18.3439 PRESSURE: 1265800 236.838 -97.503 47.328 -97.5042 11.6819 -164.574 47.3271 -164.573 -151.56 GPRESSURE: 1265800 212.215 -108.243 56.8045 -89.5065 27.2286 -98.8945 78.5659 -153.979 -54.0897 PRESSAVG: 1265800 4.79592 -10.3232 24.1055 -10.3232 -16.9517 -22.988 24.1055 -22.9881 -8.92121 GPRESSAVG: 1265800 4.35056 -10.1786 24.5227 -8.69674 -18.196 -21.2604 22.5138 -26.8431 -8.0491 TIMING: 1265800 CPU: 3808.21, 0.00297839/step Wall: 3808.21, 0.00297839/step, 3.08941 hours remaining, 208.273438 MB of memory in use. ENERGY: 1265800 744.9432 2044.3904 1915.6260 112.7829 -206449.6104 17878.1608 0.0000 0.0000 34480.0783 -149273.6288 301.1231 -183753.7071 -149172.0233 298.5620 32.3201 61.7847 558225.6738 -7.0257 -7.2982 PRESSURE: 1266000 55.7275 190.078 16.5752 190.078 -96.5648 60.6244 16.5754 60.6242 205.251 GPRESSURE: 1266000 63.6009 105.782 24.8269 245.319 -20.0016 -2.61949 31.8639 94.7889 220.579 PRESSAVG: 1266000 16.968 -29.4257 52.6795 -29.4257 -39.0845 -35.0839 52.6796 -35.0838 1.7793 GPRESSAVG: 1266000 16.3578 -28.5192 51.7102 -31.0344 -36.24 -37.0009 54.5408 -32.3657 0.239482 TIMING: 1266000 CPU: 3808.81, 0.00298731/step Wall: 3808.81, 0.00298731/step, 3.09851 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: 1266000 766.5351 2081.9334 1939.2145 111.3683 -206531.2018 18105.0604 0.0000 0.0000 34208.2701 -149318.8201 298.7493 -183527.0902 -149217.1837 299.4973 54.8046 88.0596 557461.9140 -6.7791 -6.5476 PRESSURE: 1266200 177.535 62.1195 46.3485 62.1202 353.674 97.064 46.3494 97.0647 88.0746 GPRESSURE: 1266200 176.227 55.6921 5.42414 76.5739 378.198 112.91 70.7661 35.8179 161.13 PRESSAVG: 1266200 41.4881 -20.6352 -7.08293 -20.6352 -84.2292 14.5182 -7.08287 14.5181 47.6629 GPRESSAVG: 1266200 41.5756 -22.3253 -10.1601 -20.1087 -84.4653 15.7846 -7.4502 13.5882 47.641 TIMING: 1266200 CPU: 3809.41, 0.00301576/step Wall: 3809.41, 0.00301576/step, 3.12785 hours remaining, 208.332031 MB of memory in use. ENERGY: 1266200 751.2656 2080.2150 1937.0004 119.5981 -206521.5825 18128.6731 0.0000 0.0000 34276.4020 -149228.4282 299.3443 -183504.8303 -149132.9214 299.1726 206.4279 238.5186 557718.5532 1.6406 1.5838 PRESSURE: 1266400 -341.785 13.8927 -82.2234 13.8931 -159.986 40.334 -82.2228 40.333 -320.708 GPRESSURE: 1266400 -283.435 81.7587 -45.1527 -27.5855 -143.127 100.514 -7.76963 32.1647 -297.048 PRESSAVG: 1266400 -49.425 -12.0668 -28.644 -12.0668 42.5806 60.2773 -28.6441 60.2773 24.3821 GPRESSAVG: 1266400 -48.8866 -12.035 -25.7943 -11.7374 43.1739 58.5288 -29.1265 60.2671 23.4524 TIMING: 1266400 CPU: 3810.02, 0.0030109/step Wall: 3810.02, 0.0030109/step, 3.12264 hours remaining, 208.332031 MB of memory in use. ENERGY: 1266400 765.6831 2076.3307 1924.5949 114.4326 -205726.7291 17523.0281 0.0000 0.0000 34178.3321 -149144.3277 298.4879 -183322.6598 -149046.7185 298.9225 -274.1597 -241.2036 558160.1319 5.8459 5.9132 PRESSURE: 1266600 146.183 -130.743 -38.9143 -130.743 234.55 16.7959 -38.9145 16.7952 166.779 GPRESSURE: 1266600 177.668 -31.8495 -6.23806 -173.266 238.795 -50.6582 -69.1218 47.1935 222.22 PRESSAVG: 1266600 19.9408 29.1318 9.17606 29.1318 -12.9924 -37.8845 9.17614 -37.8846 19.2169 GPRESSAVG: 1266600 19.9923 29.0453 8.69558 27.7707 -14.52 -36.746 9.6719 -38.7823 20.4896 TIMING: 1266600 CPU: 3810.63, 0.0030507/step Wall: 3810.63, 0.0030507/step, 3.16374 hours remaining, 208.332031 MB of memory in use. ENERGY: 1266600 731.9594 2106.9040 1908.2562 113.1311 -206503.9972 18120.3523 0.0000 0.0000 34196.8008 -149326.5934 298.6492 -183523.3941 -149239.7028 298.3873 182.5037 212.8944 557548.6090 8.7218 8.6540 PRESSURE: 1266800 -347.633 120.232 -17.0815 120.233 -197.511 21.5369 -17.0817 21.5356 -141.985 GPRESSURE: 1266800 -311.891 115.645 22.4832 106.754 -175.387 -5.11979 11.9993 72.5593 -110.614 PRESSAVG: 1266800 -5.79088 44.2637 -19.7197 44.2637 -14.4773 44.8704 -19.7197 44.8704 -3.57816 GPRESSAVG: 1266800 -5.55738 43.6854 -19.6889 45.7569 -15.1954 47.4148 -20.2035 43.7851 -3.9685 TIMING: 1266800 CPU: 3811.23, 0.00301737/step Wall: 3811.23, 0.00301737/step, 3.12901 hours remaining, 208.332031 MB of memory in use. ENERGY: 1266800 726.5712 2077.9499 1921.4258 106.0932 -205709.4327 17316.9559 0.0000 0.0000 34262.7457 -149297.6909 299.2251 -183560.4366 -149189.7049 298.7666 -229.0431 -199.2973 557576.3715 -7.9488 -8.2404 PRESSURE: 1267000 86.4527 6.35669 36.4513 6.35576 42.4806 228.994 36.4507 228.993 18.5841 GPRESSURE: 1267000 101.363 -7.38165 87.8165 6.07996 81.2739 223.492 -6.77942 268.218 53.6142 PRESSAVG: 1267000 -23.4568 -34.4341 -16.494 -34.434 18.4265 -44.1009 -16.494 -44.1009 -3.4525 GPRESSAVG: 1267000 -23.5726 -33.3652 -16.2279 -34.8747 18.3301 -48.1275 -17.6104 -41.1389 -2.93567 TIMING: 1267000 CPU: 3811.84, 0.00304015/step Wall: 3811.84, 0.00304015/step, 3.15247 hours remaining, 208.332031 MB of memory in use. ENERGY: 1267000 747.3783 2077.2114 1928.9987 117.0918 -206133.8945 17870.7225 0.0000 0.0000 34262.5926 -149129.8992 299.2237 -183392.4918 -149038.3444 299.2028 49.1725 78.7503 556730.1765 -2.8276 -2.7261 PRESSURE: 1267200 212.371 -55.82 -38.0178 -55.8172 -48.7429 98.5281 -38.0177 98.5279 -35.1329 GPRESSURE: 1267200 198.257 21.5204 -80.6598 -56.9309 20.5635 105.421 -0.686554 86.3437 22.1743 PRESSAVG: 1267200 41.729 18.1186 -34.3092 18.1186 -8.24809 29.487 -34.3092 29.4869 -21.3798 GPRESSAVG: 1267200 41.2613 19.3211 -35.9957 16.3414 -7.2364 31.092 -32.204 26.8269 -21.3136 TIMING: 1267200 CPU: 3812.44, 0.00301188/step Wall: 3812.44, 0.00301188/step, 3.12298 hours remaining, 208.332031 MB of memory in use. ENERGY: 1267200 743.0768 2110.9032 1963.2872 119.5875 -205946.5388 17752.1293 0.0000 0.0000 34102.1673 -149155.3874 297.8227 -183257.5547 -149058.1480 299.8016 42.8315 80.3316 556808.0583 4.0337 4.2371 PRESSURE: 1267400 202.972 -46.9157 32.3731 -46.9155 -22.5761 97.5499 32.3738 97.5505 -121.614 GPRESSURE: 1267400 241.608 29.6822 -18.2775 -75.7493 -8.19263 -21.0148 90.3565 227.557 -78.1508 PRESSAVG: 1267400 45.099 63.0374 -35.5861 63.0376 -31.8337 22.0984 -35.5862 22.0984 -19.4575 GPRESSAVG: 1267400 45.3362 61.5909 -36.3546 64.847 -32.7738 20.7264 -34.3009 23.5762 -19.4073 TIMING: 1267400 CPU: 3813.05, 0.00303214/step Wall: 3813.05, 0.00303214/step, 3.14382 hours remaining, 208.332031 MB of memory in use. ENERGY: 1267400 777.0163 2085.7392 1937.1097 109.9117 -206025.2690 17738.5365 0.0000 0.0000 34153.9061 -149223.0494 298.2746 -183376.9555 -149127.7837 299.5804 19.5938 51.7549 556264.2696 -2.0640 -2.2816 PRESSURE: 1267600 -103.903 60.7923 -15.9828 60.7917 -142.978 92.3381 -15.9841 92.3382 74.2567 GPRESSURE: 1267600 -32.7 14.5062 27.9548 120.542 -147.149 173.66 -63.2119 -6.91857 117.73 PRESSAVG: 1267600 88.9151 33.5694 -52.5886 33.5694 -41.9017 16.6596 -52.5886 16.6597 -14.2286 GPRESSAVG: 1267600 89.2442 32.0221 -53.4472 35.768 -41.1927 21.0303 -53.9139 14.088 -14.6166 TIMING: 1267600 CPU: 3813.66, 0.00304969/step Wall: 3813.66, 0.00304969/step, 3.16185 hours remaining, 208.332031 MB of memory in use. ENERGY: 1267600 765.3520 2062.4324 1944.2005 111.7560 -205965.4297 17558.4394 0.0000 0.0000 34266.6268 -149256.6226 299.2590 -183523.2494 -149164.5267 299.2340 -57.5416 -20.7062 556523.5702 10.9282 11.1450 PRESSURE: 1267800 8.00564 -59.8558 -126.648 -59.8566 26.1556 1.5579 -126.648 1.55843 -65.3357 GPRESSURE: 1267800 63.8945 -9.57959 -152.095 24.2458 90.2538 48.4513 -119.561 -70.9227 -74.6493 PRESSAVG: 1267800 -86.9347 39.3332 -9.67902 39.3332 2.81802 -15.7101 -9.67915 -15.7101 66.5223 GPRESSAVG: 1267800 -87.9745 42.6087 -8.17587 36.8017 3.16569 -19.0038 -8.53067 -13.6752 67.1121 TIMING: 1267800 CPU: 3814.26, 0.00303553/step Wall: 3814.26, 0.00303553/step, 3.147 hours remaining, 208.332031 MB of memory in use. ENERGY: 1267800 762.4936 2113.6690 1931.6433 112.8579 -206415.9460 17901.4129 0.0000 0.0000 34222.4163 -149371.4532 298.8729 -183593.8694 -149273.8125 298.8534 -10.3915 26.4997 557851.2906 -5.8648 -5.8989 PRESSURE: 1268000 -109.798 31.6875 -24.5959 31.687 -397.073 -67.69 -24.5957 -67.6887 -299.194 GPRESSURE: 1268000 -81.0496 24.8073 -57.2662 5.78282 -330.045 -133.995 -11.8074 7.04769 -294.602 PRESSAVG: 1268000 -5.43912 -5.5656 -27.9051 -5.56556 -12.7265 -23.9921 -27.9051 -23.9921 46.404 GPRESSAVG: 1268000 -4.87511 -7.5235 -27.0611 -5.93235 -12.2132 -23.3564 -28.2402 -24.9238 45.0423 TIMING: 1268000 CPU: 3814.87, 0.00300583/step Wall: 3814.87, 0.00300583/step, 3.11604 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: 1268000 798.2078 2104.1103 1928.4110 120.3339 -206195.0257 17587.1423 0.0000 0.0000 34183.0802 -149473.7402 298.5293 -183656.8204 -149378.5959 298.5895 -268.6880 -235.2324 557803.2209 9.4128 9.3180 PRESSURE: 1268200 60.0572 -14.9286 80.0819 -14.9282 -51.3412 123.066 80.0808 123.065 -39.7385 GPRESSURE: 1268200 58.2754 32.8119 -16.2983 -63.1033 -23.2944 91.21 139.482 91.446 37.9295 PRESSAVG: 1268200 -19.9707 40.0254 28.6931 40.0256 26.0174 4.42597 28.6931 4.42594 22.4747 GPRESSAVG: 1268200 -20.5023 39.1336 26.2788 40.6593 26.1047 4.74075 29.1945 5.37948 22.9081 TIMING: 1268200 CPU: 3815.47, 0.00300862/step Wall: 3815.47, 0.00300862/step, 3.11877 hours remaining, 208.343750 MB of memory in use. ENERGY: 1268200 759.4123 2163.5726 1919.9658 120.1067 -206236.9596 17664.1529 0.0000 0.0000 34224.9699 -149384.7794 298.8952 -183609.7493 -149293.8369 298.8853 -10.3408 24.3035 556693.9836 9.5071 9.5035 LDB: ============= START OF LOAD BALANCING ============== 3818.98 LDB: ============== END OF LOAD BALANCING =============== 3818.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3818.98 LDB: ============= START OF LOAD BALANCING ============== 3819.29 LDB: Largest compute 4795 load 0.027323 is 23.2% of average load 0.117871 LDB: Average compute 0.001756 is 1.5% of average load 0.117871 LDB: TIME 3819.29 LOAD: AVG 0.117871 MAX 0.21369 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.684 MB LDB: TIME 3819.29 LOAD: AVG 0.117871 MAX 0.21369 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.754 MB LDB: TIME 3819.29 LOAD: AVG 0.117871 MAX 0.21369 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.754 MB LDB: ============== END OF LOAD BALANCING =============== 3819.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3819.3 PRESSURE: 1268400 -111.996 21.4233 -121.732 21.4235 135.887 -34.3809 -121.733 -34.3815 14.8286 GPRESSURE: 1268400 -44.2726 6.97649 -89.1433 34.5731 202.628 -102.326 -51.3179 24.9118 -27.6497 PRESSAVG: 1268400 31.4592 -46.4894 -5.61593 -46.4894 -48.4872 9.8901 -5.61581 9.89012 38.3421 GPRESSAVG: 1268400 33.2358 -46.795 -2.31807 -45.4019 -49.6941 10.3689 -7.38818 8.88729 37.9776 TIMING: 1268400 CPU: 3816.08, 0.00306245/step Wall: 3816.08, 0.00306245/step, 3.1744 hours remaining, 209.359375 MB of memory in use. ENERGY: 1268400 742.6218 2120.6806 1936.2247 123.6674 -206408.7914 17868.0060 0.0000 0.0000 34263.4736 -149354.1173 299.2314 -183617.5910 -149262.9615 299.0360 12.9064 43.5687 557805.4061 7.1047 7.1731 PRESSURE: 1268600 246.717 -190.491 -85.8874 -190.491 5.65775 36.6619 -85.8875 36.6629 243.162 GPRESSURE: 1268600 279.597 -136.771 -44.8433 -200.781 -13.4909 27.8665 -121.843 -39.8039 331.721 PRESSAVG: 1268600 51.1546 -42.9075 38.187 -42.9075 -35.4406 20.5382 38.1869 20.5382 29.6223 GPRESSAVG: 1268600 49.7361 -42.4622 37.4835 -44.5161 -34.1387 18.2919 39.3043 21.1337 29.667 TIMING: 1268600 CPU: 3816.69, 0.00303777/step Wall: 3816.69, 0.00303777/step, 3.14865 hours remaining, 209.820312 MB of memory in use. ENERGY: 1268600 725.5716 2069.1621 1919.8087 112.9973 -206689.4121 18079.0706 0.0000 0.0000 34393.9768 -149388.8250 300.3712 -183782.8018 -149292.1692 299.7569 165.1790 199.2757 557558.1026 15.1121 15.0881 PRESSURE: 1268800 255.268 -271.474 -45.1509 -271.474 83.9848 -61.3013 -45.1506 -61.3027 -238.943 GPRESSURE: 1268800 272.726 -204.84 29.3794 -310.117 156.502 54.2577 -10.8412 -223.656 -223.386 PRESSAVG: 1268800 15.4805 38.2138 -9.20423 38.2138 -0.374711 27.5033 -9.20412 27.5033 -16.6432 GPRESSAVG: 1268800 16.0665 38.6983 -8.37003 37.4901 -0.972953 27.9577 -10.9033 27.9705 -16.62 TIMING: 1268800 CPU: 3817.3, 0.00305664/step Wall: 3817.3, 0.00305664/step, 3.16804 hours remaining, 209.820312 MB of memory in use. ENERGY: 1268800 739.2914 2118.8112 1954.4734 120.1572 -206355.1488 18044.2902 0.0000 0.0000 34052.8194 -149325.3058 297.3917 -183378.1252 -149230.9894 299.6404 33.4368 68.6139 557345.0476 -0.5125 -0.5088 PRESSURE: 1269000 249.218 63.2107 -64.7715 63.2117 -182.183 -136.965 -64.7712 -136.967 158.049 GPRESSURE: 1269000 319.307 44.0974 36.7582 6.02873 -145.659 -151.979 -93 -108.281 144.094 PRESSAVG: 1269000 -4.52091 5.92072 16.3849 5.92072 13.8074 50.2444 16.3849 50.2443 44.8834 GPRESSAVG: 1269000 -3.95211 6.39338 14.8227 7.75726 13.8679 49.4596 16.9567 50.0628 44.4489 TIMING: 1269000 CPU: 3817.91, 0.003046/step Wall: 3817.91, 0.003046/step, 3.15684 hours remaining, 209.820312 MB of memory in use. ENERGY: 1269000 739.7227 2148.7631 1906.5950 126.3482 -206304.2360 18005.1409 0.0000 0.0000 34261.4025 -149116.2636 299.2133 -183377.6662 -149024.3145 298.8023 75.0281 105.9139 557570.7059 18.0566 18.1216 PRESSURE: 1269200 -259.766 -137.976 64.154 -137.976 197.614 103.312 64.1542 103.313 72.9478 GPRESSURE: 1269200 -155.298 -179.263 88.7696 -53.4911 219.669 88.6037 81.0756 55.4666 30.7668 PRESSAVG: 1269200 34.096 -57.7195 12.8332 -57.7195 37.0386 19.7913 12.8333 19.7913 -40.2308 GPRESSAVG: 1269200 33.1991 -56.5327 11.9839 -60.217 37.0457 20.7733 13.554 17.9762 -39.3416 TIMING: 1269200 CPU: 3818.51, 0.00303501/step Wall: 3818.51, 0.00303501/step, 3.14528 hours remaining, 209.820312 MB of memory in use. ENERGY: 1269200 752.9621 2134.9372 1944.3385 112.0807 -206250.0198 17713.6347 0.0000 0.0000 34429.8934 -149162.1731 300.6848 -183592.0665 -149063.2730 299.6537 3.5985 31.7126 557835.6246 10.3013 10.3011 PRESSURE: 1269400 -15.0828 108.705 10.4727 108.705 166.506 -33.4488 10.4724 -33.4494 181.447 GPRESSURE: 1269400 33.9975 146.978 100.209 147.986 226.325 -20.3696 -73.8242 -14.4639 176.999 PRESSAVG: 1269400 -46.4762 9.3242 42.0122 9.32412 37.9353 41.536 42.0121 41.536 31.4874 GPRESSAVG: 1269400 -46.6778 8.22324 42.858 11.2712 37.7782 41.419 41.6498 43.9951 31.523 TIMING: 1269400 CPU: 3819.12, 0.00302676/step Wall: 3819.12, 0.00302676/step, 3.13657 hours remaining, 209.878906 MB of memory in use. ENERGY: 1269400 725.3676 2185.7745 1916.1269 104.6897 -206160.2342 17859.3863 0.0000 0.0000 34246.7667 -149122.1226 299.0855 -183368.8893 -149024.7488 299.6517 110.9568 145.7738 557178.4827 7.6488 7.5411 PRESSURE: 1269600 96.3884 130.409 -62.0191 130.408 119.23 106.639 -62.0199 106.637 179.492 GPRESSURE: 1269600 107.081 163.795 -96.9542 145.802 132.59 109.104 16.911 60.0198 251.584 PRESSAVG: 1269600 -38.4166 54.749 -24.1042 54.749 -23.8765 17.0292 -24.1042 17.0292 42.994 GPRESSAVG: 1269600 -39.2025 54.5122 -23.7266 54.1372 -23.6918 16.6652 -24.9533 16.1074 44.0764 TIMING: 1269600 CPU: 3819.73, 0.00305109/step Wall: 3819.73, 0.00305109/step, 3.1616 hours remaining, 209.878906 MB of memory in use. ENERGY: 1269600 744.1533 2093.5474 1932.3290 114.7938 -206520.8790 18032.0334 0.0000 0.0000 34311.9303 -149292.0919 299.6546 -183604.0222 -149193.7875 299.4857 131.7035 163.7514 556226.2229 -6.4330 -6.2726 PRESSURE: 1269800 51.2673 -47.2524 -26.1226 -47.2521 -235.224 112.225 -26.1228 112.224 96.5996 GPRESSURE: 1269800 90.6794 -52.1025 27.1974 29.0049 -158.501 158.301 -53.1808 25.392 72.2464 PRESSAVG: 1269800 -52.4331 52.147 -27.6285 52.1469 -16.5346 18.2109 -27.6285 18.2109 70.2186 GPRESSAVG: 1269800 -51.1706 51.9445 -28.5582 52.1318 -16.9168 16.8321 -25.5367 18.8436 69.1778 TIMING: 1269800 CPU: 3820.35, 0.00307971/step Wall: 3820.35, 0.00307971/step, 3.19109 hours remaining, 209.878906 MB of memory in use. ENERGY: 1269800 729.2949 2140.9433 1951.1982 111.3013 -206270.7566 17910.8234 0.0000 0.0000 34167.6280 -149259.5676 298.3944 -183427.1955 -149168.1155 299.4392 -29.1190 1.4749 559061.1972 0.4170 0.3635 PRESSURE: 1270000 256.903 23.1203 216.283 23.1197 263.588 21.6801 216.282 21.6797 -81.4684 GPRESSURE: 1270000 305.934 107.886 200.366 -44.627 234.927 16.7098 123.856 80.9686 -4.01695 PRESSAVG: 1270000 41.3421 27.0821 -20.761 27.0821 3.82203 42.8585 -20.7609 42.8586 13.5928 GPRESSAVG: 1270000 42.7756 28.4985 -18.4409 25.4883 3.23627 44.5324 -23.0231 40.9201 12.7894 TIMING: 1270000 CPU: 3820.95, 0.00304482/step Wall: 3820.95, 0.00304482/step, 3.15477 hours remaining, 209.878906 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: 1270000 733.6454 2078.9878 1915.4949 118.5792 -206603.9766 18098.5345 0.0000 0.0000 34393.3380 -149265.3969 300.3656 -183658.7349 -149163.5286 299.2722 146.3409 178.9478 557974.0142 19.5857 19.6004 PRESSURE: 1270200 -130.562 -71.9747 -18.0881 -71.9745 -199.162 68.5908 -18.0874 68.5896 115.669 GPRESSURE: 1270200 -134.539 -111.967 -9.19824 -93.037 -91.4921 24.7116 87.2048 110.078 108.768 PRESSAVG: 1270200 -18.7619 52.8179 17.882 52.8179 34.2945 15.7696 17.8821 15.7695 -10.9387 GPRESSAVG: 1270200 -20.0266 53.1517 16.3611 54.5635 34.7452 15.0305 19.2439 17.049 -10.5892 TIMING: 1270200 CPU: 3821.56, 0.0030391/step Wall: 3821.56, 0.0030391/step, 3.14868 hours remaining, 209.878906 MB of memory in use. ENERGY: 1270200 776.6543 2034.7795 1923.7216 111.8015 -206123.3799 17625.9535 0.0000 0.0000 34521.4127 -149129.0568 301.4841 -183650.4695 -149036.7213 298.9128 -71.3519 -39.0879 558939.7037 1.5313 1.3765 PRESSURE: 1270400 -381.059 -87.5399 112.46 -87.5396 -287.951 25.1197 112.46 25.1196 -215.774 GPRESSURE: 1270400 -341.35 -11.3193 16.9652 -30.47 -240.825 42.8703 162.87 74.6291 -213.379 PRESSAVG: 1270400 15.4277 26.1247 -5.62594 26.1247 -10.7104 32.0727 -5.62588 32.0727 -45.1863 GPRESSAVG: 1270400 14.8281 26.3317 -6.59221 26.3248 -10.4588 31.5592 -5.69536 32.2945 -44.5141 TIMING: 1270400 CPU: 3822.17, 0.00302639/step Wall: 3822.17, 0.00302639/step, 3.13534 hours remaining, 209.878906 MB of memory in use. ENERGY: 1270400 728.1994 2089.3235 1937.4527 122.9661 -205570.9086 17266.2774 0.0000 0.0000 34269.2777 -149157.4118 299.2821 -183426.6895 -149061.7512 299.5498 -294.9283 -265.1846 558544.2712 -13.4897 -13.3816 PRESSURE: 1270600 -73.6059 114.21 -6.4125 114.208 -1.33428 2.04136 -6.4121 2.04082 -173.036 GPRESSURE: 1270600 6.10028 174.963 -72.8284 181.665 -2.98848 -34.9073 15.7323 -74.3661 -155.727 PRESSAVG: 1270600 56.4532 34.3796 -67.2736 34.3794 -84.0923 -25.6475 -67.2736 -25.6474 59.173 GPRESSAVG: 1270600 57.0035 34.4454 -69.4084 32.791 -83.1049 -23.9807 -65.7767 -26.7915 57.5005 TIMING: 1270600 CPU: 3822.77, 0.00301545/step Wall: 3822.77, 0.00301545/step, 3.12383 hours remaining, 209.878906 MB of memory in use. ENERGY: 1270600 735.5611 2075.0578 1947.0086 113.6789 -206098.9760 17769.8140 0.0000 0.0000 34318.8174 -149139.0383 299.7148 -183457.8556 -149046.1738 300.1031 -82.6587 -50.8718 558499.5601 10.5113 10.4663 PRESSURE: 1270800 -300.802 83.1918 110.256 83.192 53.1989 -91.2353 110.255 -91.2352 -31.2801 GPRESSURE: 1270800 -358.956 23.7664 105.391 54.6851 132.109 -68.0546 100.024 -75.1676 53.9186 PRESSAVG: 1270800 -28.9332 22.1089 17.9896 22.1089 -37.9026 -4.01154 17.9896 -4.01156 47.8013 GPRESSAVG: 1270800 -29.538 21.0737 20.4097 22.022 -37.1792 -5.73089 14.8566 -4.85515 47.6347 TIMING: 1270800 CPU: 3823.37, 0.00298217/step Wall: 3823.37, 0.00298217/step, 3.0892 hours remaining, 209.878906 MB of memory in use. ENERGY: 1270800 761.0279 2120.1975 1943.6633 118.6846 -206019.1122 17659.0209 0.0000 0.0000 34479.2861 -148937.2317 301.1162 -183416.5179 -148849.2434 299.6352 -92.9611 -57.6429 559870.9325 -6.3448 -6.3608 PRESSURE: 1271000 -175.22 -114.546 82.1831 -114.546 21.0685 165.963 82.1831 165.964 -89.9707 GPRESSURE: 1271000 -141.269 -195.7 20.0813 -39.5176 58.7172 141.373 169.763 152.421 -66.9478 PRESSAVG: 1271000 -34.729 -15.5932 46.7104 -15.5932 54.6641 18.275 46.7103 18.275 2.16546 GPRESSAVG: 1271000 -34.2974 -13.6897 47.6484 -16.9081 53.0342 18.7847 48.4063 19.4039 2.73237 TIMING: 1271000 CPU: 3823.97, 0.00301434/step Wall: 3823.97, 0.00301434/step, 3.12235 hours remaining, 209.878906 MB of memory in use. ENERGY: 1271000 736.1636 2072.2773 1933.2698 116.0340 -205845.1529 17695.8296 0.0000 0.0000 34453.0819 -148838.4967 300.8873 -183291.5786 -148743.1956 300.4704 -81.3740 -49.8333 558966.3045 7.3669 7.1564 PRESSURE: 1271200 3.49336 44.4977 -158.209 44.4979 -302.255 -3.59206 -158.208 -3.59021 56.2226 GPRESSURE: 1271200 62.3135 24.1107 -34.1085 26.4848 -307.888 -84.2499 -107.383 55.4361 97.0133 PRESSAVG: 1271200 -58.9197 -59.5442 9.14835 -59.5442 -3.41374 42.1518 9.14834 42.1518 111.637 GPRESSAVG: 1271200 -58.7257 -62.3711 7.87562 -57.8164 -4.00971 42.0561 9.8249 42.7377 112.341 TIMING: 1271200 CPU: 3824.58, 0.00303599/step Wall: 3824.58, 0.00303599/step, 3.14461 hours remaining, 209.878906 MB of memory in use. ENERGY: 1271200 772.0664 2082.2455 1901.7910 99.8066 -205793.6735 17676.4215 0.0000 0.0000 34380.5119 -148880.8306 300.2536 -183261.3425 -148784.4982 301.2487 -80.8464 -49.5204 557816.3573 16.4345 16.5353 PRESSURE: 1271400 177.898 -126.495 32.0709 -126.494 41.9329 -43.1641 32.0699 -43.1636 78.4074 GPRESSURE: 1271400 163.654 -184.246 61.3014 -41.1608 103.442 -44.862 -69.4085 -41.0428 133.239 PRESSAVG: 1271400 -41.5142 -47.0612 -32.5577 -47.0613 -9.66748 24.0057 -32.5577 24.0056 38.7522 GPRESSAVG: 1271400 -41.1302 -46.7391 -32.9918 -47.7344 -7.83034 25.7227 -34.4456 23.2067 37.1116 TIMING: 1271400 CPU: 3825.18, 0.00301292/step Wall: 3825.18, 0.00301292/step, 3.12055 hours remaining, 209.878906 MB of memory in use. ENERGY: 1271400 715.2606 2115.9460 1922.7226 109.7579 -206074.8629 17891.9904 0.0000 0.0000 34493.6780 -148825.5074 301.2419 -183319.1854 -148734.3113 300.4252 99.4126 133.4450 557236.3850 -4.1432 -3.9497 PRESSURE: 1271600 -35.3259 -17.4154 35.1973 -17.4168 28.3702 -248.695 35.1958 -248.694 -18.9616 GPRESSURE: 1271600 -9.1387 18.3407 -61.1457 -29.0087 51.0987 -344.658 76.4432 -249.254 22.063 PRESSAVG: 1271600 29.7603 -0.38785 27.1657 -0.387739 -3.37386 1.17378 27.1656 1.17381 -19.5995 GPRESSAVG: 1271600 30.6328 -3.11762 29.6005 1.48547 -5.38686 -1.25288 26.752 1.81637 -18.6266 TIMING: 1271600 CPU: 3825.79, 0.00303896/step Wall: 3825.79, 0.00303896/step, 3.14735 hours remaining, 209.878906 MB of memory in use. ENERGY: 1271600 763.9310 2084.8668 1951.4101 116.1666 -206253.5393 17855.9339 0.0000 0.0000 34557.6738 -148923.5571 301.8008 -183481.2310 -148834.0774 301.2989 -8.6391 21.3410 556976.7404 2.2623 2.2064 PRESSURE: 1271800 -249.561 -183.146 -63.0498 -183.147 -119.725 -71.1901 -63.0498 -71.1903 42.5171 GPRESSURE: 1271800 -204.923 -247.193 -126.064 -153.753 -87.3803 -35.5148 -33.1035 -87.7488 74.7624 PRESSAVG: 1271800 26.3882 -38.0263 -50.2234 -38.0262 -51.7779 -31.2323 -50.2234 -31.2322 5.86672 GPRESSAVG: 1271800 25.9833 -35.2969 -52.0743 -38.8168 -50.9873 -33.0785 -50.577 -29.6201 5.62986 TIMING: 1271800 CPU: 3826.39, 0.00302453/step Wall: 3826.39, 0.00302453/step, 3.13224 hours remaining, 209.878906 MB of memory in use. ENERGY: 1271800 741.5465 2138.1401 1946.6826 112.3510 -205912.2832 17662.4217 0.0000 0.0000 34397.1731 -148913.9682 300.3991 -183311.1413 -148818.5597 300.2430 -108.9229 -72.5136 558344.5454 -6.5077 -6.4580 PRESSURE: 1272000 -147.957 -96.4776 190.78 -96.4781 -93.6676 -199.13 190.78 -199.131 30.1556 GPRESSURE: 1272000 -94.9647 -71.1334 148.264 -105.092 -47.7378 -162.018 180.982 -189.327 23.7833 PRESSAVG: 1272000 -8.90465 -31.5327 27.1968 -31.5327 2.04299 -4.82067 27.1969 -4.8207 35.4679 GPRESSAVG: 1272000 -8.05797 -29.1604 27.6651 -33.7014 1.61773 -1.87052 28.6124 -6.34861 35.285 TIMING: 1272000 CPU: 3827, 0.00301277/step Wall: 3827, 0.00301277/step, 3.11989 hours remaining, 209.878906 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: 1272000 702.8376 2088.7813 1930.9598 116.4065 -205532.5089 17424.9653 0.0000 0.0000 34302.4001 -148966.1583 299.5714 -183268.5584 -148860.6167 300.1837 -70.4896 -39.6397 556876.0578 9.5354 9.6149 PRESSURE: 1272200 9.62441 81.4732 -108.153 81.4735 23.8083 51.8547 -108.152 51.8549 -143.879 GPRESSURE: 1272200 -19.708 77.8445 -56.0137 133.303 84.993 25.3527 -208.328 92.7997 -68.3435 PRESSAVG: 1272200 -46.1701 -1.83345 -32.1411 -1.83329 1.93473 -9.47669 -32.1411 -9.47676 -10.6753 GPRESSAVG: 1272200 -46.9594 -5.64324 -31.3809 0.223836 3.11211 -10.3764 -32.2863 -8.83243 -11.0671 TIMING: 1272200 CPU: 3827.6, 0.00302841/step Wall: 3827.6, 0.00302841/step, 3.13592 hours remaining, 209.878906 MB of memory in use. ENERGY: 1272200 713.9582 2025.5057 1947.5633 121.4454 -205993.2664 17572.9474 0.0000 0.0000 34704.3695 -148907.4769 303.0819 -183611.8464 -148802.6327 299.5168 -36.8154 -1.0195 556454.0870 -18.3036 -18.3048 LDB: ============= START OF LOAD BALANCING ============== 3831.12 LDB: ============== END OF LOAD BALANCING =============== 3831.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3831.12 LDB: ============= START OF LOAD BALANCING ============== 3831.42 LDB: Largest compute 4800 load 0.026538 is 22.5% of average load 0.117825 LDB: Average compute 0.001750 is 1.5% of average load 0.117825 LDB: TIME 3831.43 LOAD: AVG 0.117825 MAX 0.212342 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.734 MB LDB: TIME 3831.43 LOAD: AVG 0.117825 MAX 0.212342 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: TIME 3831.43 LOAD: AVG 0.117825 MAX 0.212342 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3831.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3831.43 PRESSURE: 1272400 239.592 -128.149 -66.809 -128.149 93.3332 194.106 -66.8096 194.106 -75.4733 GPRESSURE: 1272400 314.34 -7.37748 -59.5686 -117.933 131.998 155.071 -65.1136 236.228 -95.9164 PRESSAVG: 1272400 34.1481 9.70522 -18.8723 9.70524 1.7808 -17.0909 -18.8723 -17.091 6.75877 GPRESSAVG: 1272400 33.7379 13.3845 -18.4279 7.41138 0.523092 -14.9892 -19.8079 -16.742 8.29994 TIMING: 1272400 CPU: 3828.22, 0.00308043/step Wall: 3828.22, 0.00308043/step, 3.18961 hours remaining, 208.074219 MB of memory in use. ENERGY: 1272400 742.8844 1989.5457 1954.9958 93.2247 -205830.9159 17732.3024 0.0000 0.0000 34414.3855 -148903.5775 300.5494 -183317.9629 -148810.0279 299.6035 85.8172 116.8075 557383.9463 14.2292 14.1870 PRESSURE: 1272600 105.736 221.332 362.471 221.331 19.749 -41.2277 362.47 -41.2272 -138.58 GPRESSURE: 1272600 138.854 167.365 340.047 321.153 64.0928 -105.575 412.761 2.78832 -121.926 PRESSAVG: 1272600 79.9198 16.1631 0.935576 16.1631 -69.4061 -18.5527 0.935544 -18.5526 -5.97548 GPRESSAVG: 1272600 79.8808 13.1038 2.51111 18.5767 -68.1569 -19.8059 1.33684 -20.3758 -7.47688 TIMING: 1272600 CPU: 3828.82, 0.00301705/step Wall: 3828.82, 0.00301705/step, 3.12382 hours remaining, 208.074219 MB of memory in use. ENERGY: 1272600 761.9943 2116.1170 1950.2822 119.6814 -206094.3038 17848.9529 0.0000 0.0000 34528.4332 -148768.8429 301.5454 -183297.2761 -148673.1661 300.5330 -4.3651 27.0070 556830.8476 1.5127 1.4157 PRESSURE: 1272800 -55.4586 -130.389 -65.9676 -130.388 -90.7141 15.0001 -65.9656 14.9999 120.571 GPRESSURE: 1272800 -62.9195 -94.9761 -68.946 -176.363 -11.0269 12.3486 -60.5235 -78.3705 150.641 PRESSAVG: 1272800 1.11587 -6.42511 81.2543 -6.42504 64.5911 9.21243 81.2542 9.21243 -42.691 GPRESSAVG: 1272800 1.58123 -4.33887 77.9484 -7.57725 63.237 10.5563 82.2114 9.48455 -41.7048 TIMING: 1272800 CPU: 3829.42, 0.00301761/step Wall: 3829.42, 0.00301761/step, 3.12423 hours remaining, 208.074219 MB of memory in use. ENERGY: 1272800 717.0188 2053.0815 1911.1526 117.6642 -205337.0604 17574.0260 0.0000 0.0000 34397.9056 -148566.2117 300.4055 -182964.1173 -148472.9969 300.9484 -8.5340 25.5648 556787.2395 7.6720 7.7045 PRESSURE: 1273000 -287.95 -102.217 -114.598 -102.216 73.0974 -10.3512 -114.598 -10.352 -91.8084 GPRESSURE: 1273000 -214.961 -104.093 -130.351 -96.7539 114.846 117.118 -107.347 -79.4784 -107.167 PRESSAVG: 1273000 -32.304 -53.4277 -31.747 -53.4277 1.83315 3.97088 -31.7469 3.97071 -23.1264 GPRESSAVG: 1273000 -32.4095 -52.6417 -32.177 -54.7997 2.90024 2.61808 -30.9298 4.64362 -24.8443 TIMING: 1273000 CPU: 3830.03, 0.00304398/step Wall: 3830.03, 0.00304398/step, 3.15136 hours remaining, 208.074219 MB of memory in use. ENERGY: 1273000 682.4558 2122.3852 1910.7864 110.4024 -205126.0687 17255.4242 0.0000 0.0000 34490.6320 -148553.9827 301.2153 -183044.6147 -148455.0209 301.4879 -102.2204 -69.0941 556791.6567 -17.8658 -18.1178 PRESSURE: 1273200 -17.8067 -50.8778 105.113 -50.8776 -140.308 6.69662 105.112 6.69621 -6.72648 GPRESSURE: 1273200 78.0012 -1.1233 138.316 -46.7067 -148.212 20.4899 107.817 -13.1782 12.4744 PRESSAVG: 1273200 -17.2929 25.0931 -1.66784 25.0931 23.7193 -8.7282 -1.66782 -8.72817 -19.8787 GPRESSAVG: 1273200 -16.6055 23.6725 -1.01179 25.7059 22.1952 -9.8907 -2.88043 -7.65911 -19.3017 TIMING: 1273200 CPU: 3830.64, 0.00302666/step Wall: 3830.64, 0.00302666/step, 3.13327 hours remaining, 208.074219 MB of memory in use. ENERGY: 1273200 740.5299 2073.0316 1934.2814 109.3798 -205510.8752 17525.3265 0.0000 0.0000 34387.1578 -148741.1683 300.3116 -183128.3261 -148641.0236 301.1865 -54.9470 -19.2456 557245.0952 -4.4841 -4.5707 PRESSURE: 1273400 -212.43 59.5849 59.9735 59.5847 -42.586 343.292 59.9731 343.293 -116.168 GPRESSURE: 1273400 -209.167 43.7544 122.763 94.8878 18.8564 302.388 40.1335 392.686 -88.938 PRESSAVG: 1273400 -43.5674 -50.5401 18.1388 -50.54 37.0135 -18.5962 18.1388 -18.5963 17.113 GPRESSAVG: 1273400 -44.4944 -52.6427 19.6036 -48.3168 37.8178 -18.3106 16.7165 -18.5177 17.7541 TIMING: 1273400 CPU: 3831.25, 0.00304242/step Wall: 3831.25, 0.00304242/step, 3.14941 hours remaining, 208.074219 MB of memory in use. ENERGY: 1273400 764.4949 2059.5413 1910.3001 99.4198 -205754.7214 17652.7155 0.0000 0.0000 34440.0750 -148828.1747 300.7737 -183268.2498 -148734.4330 300.8292 -123.7281 -93.0830 557692.6131 3.5197 3.6925 PRESSURE: 1273600 -107.676 -99.7587 -61.1606 -99.7586 82.2241 -8.56818 -61.1605 -8.56728 9.35967 GPRESSURE: 1273600 -52.3419 -168.362 -47.3688 -6.68159 124.276 -34.7055 -22.6704 47.1566 1.78649 PRESSAVG: 1273600 -21.0853 33.8348 41.4008 33.8348 15.001 30.0069 41.4009 30.0069 -12.8985 GPRESSAVG: 1273600 -21.1964 34.3967 38.4944 33.2387 15.0226 31.5248 43.7212 28.7189 -13.2551 TIMING: 1273600 CPU: 3831.86, 0.0030522/step Wall: 3831.86, 0.0030522/step, 3.15936 hours remaining, 208.074219 MB of memory in use. ENERGY: 1273600 751.9659 2039.4786 1921.3423 113.5489 -205949.7309 17853.8998 0.0000 0.0000 34232.6953 -149036.8002 298.9626 -183269.4955 -148936.7908 300.0764 -5.3640 24.5735 558702.3258 -6.3276 -6.4763 PRESSURE: 1273800 -107.769 -27.5676 102.794 -27.5677 23.924 -109.159 102.794 -109.158 120.923 GPRESSURE: 1273800 -65.8021 -81.4371 114.585 46.2134 78.064 -47.1469 41.5356 -157.962 122.771 PRESSAVG: 1273800 -28.2199 51.2629 -39.1122 51.2627 3.46286 11.5037 -39.1122 11.5037 -11.0071 GPRESSAVG: 1273800 -29.0352 51.9017 -38.7837 50.6049 5.17731 11.8731 -40.0449 10.9079 -11.6418 TIMING: 1273800 CPU: 3832.47, 0.0030557/step Wall: 3832.47, 0.0030557/step, 3.16282 hours remaining, 208.074219 MB of memory in use. ENERGY: 1273800 748.6193 2049.1463 1916.9113 107.8579 -206107.4591 17710.7757 0.0000 0.0000 34568.6879 -149005.4608 301.8969 -183574.1487 -148912.2363 299.5299 12.3593 45.0110 557606.1409 -11.9214 -11.8332 PRESSURE: 1274000 -63.6714 71.0963 -45.4785 71.0973 274.779 30.9049 -45.4781 30.9032 285.906 GPRESSURE: 1274000 -34.1325 112.589 -35.312 62.4181 276.248 68.3126 -26.2351 2.27037 362.603 PRESSAVG: 1274000 -65.9224 24.8812 57.4482 24.8813 81.7558 12.5328 57.4483 12.5327 -7.07897 GPRESSAVG: 1274000 -64.8062 25.5002 56.8728 25.0614 81.7252 13.1947 58.075 11.7449 -7.83174 TIMING: 1274000 CPU: 3833.08, 0.00306322/step Wall: 3833.08, 0.00306322/step, 3.17043 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: 1274000 678.6166 2031.0587 1931.7066 122.6924 -206350.1645 18033.5318 0.0000 0.0000 34579.2956 -148973.2628 301.9896 -183552.5584 -148875.5627 300.2358 165.6711 201.5730 556520.4347 2.9181 3.0291 PRESSURE: 1274200 -122.774 51.323 -186.732 51.323 100.359 -0.512905 -186.731 -0.513853 207.807 GPRESSURE: 1274200 -83.3626 73.8492 -59.8681 10.4356 100.53 67.9594 -228.192 94.5155 265.26 PRESSAVG: 1274200 -53.0876 16.8916 15.4895 16.8916 14.2586 90.814 15.4895 90.814 35.2089 GPRESSAVG: 1274200 -53.839 16.8903 18.0589 16.5937 13.1557 88.8081 15.088 92.0326 37.4507 TIMING: 1274200 CPU: 3833.7, 0.00307931/step Wall: 3833.7, 0.00307931/step, 3.18692 hours remaining, 208.074219 MB of memory in use. ENERGY: 1274200 737.6226 1984.6367 1952.4650 118.9037 -206046.8746 17994.4871 0.0000 0.0000 34329.3439 -148929.4156 299.8067 -183258.7595 -148834.7641 300.4238 61.7973 94.1426 557208.2494 -1.2067 -1.0775 PRESSURE: 1274400 131.789 33.8032 -115.416 33.8029 -61.7772 153.096 -115.417 153.096 -104.582 GPRESSURE: 1274400 141.462 75.1287 -127.944 32.8159 3.33526 226.515 -125.619 194.907 -58.099 PRESSAVG: 1274400 -0.686158 28.1673 8.62449 28.1673 73.9796 47.9158 8.62442 47.9157 -2.73339 GPRESSAVG: 1274400 -0.306837 27.1951 8.84458 28.5233 73.7666 49.9419 7.83874 46.5784 -2.92053 TIMING: 1274400 CPU: 3834.3, 0.00303902/step Wall: 3834.3, 0.00303902/step, 3.14504 hours remaining, 208.074219 MB of memory in use. ENERGY: 1274400 768.7802 2013.8211 1938.7260 111.5731 -206141.1623 17804.9556 0.0000 0.0000 34470.1374 -149033.1689 301.0363 -183503.3063 -148935.9081 300.6010 -11.5237 28.8994 556104.1567 23.5200 23.5131 PRESSURE: 1274600 109.178 -15.9518 -67.8682 -15.9511 76.1169 -206.554 -67.868 -206.555 -6.66181 GPRESSURE: 1274600 122.662 -27.754 -76.3607 20.8042 160.25 -143.108 -88.7668 -230.7 8.78189 PRESSAVG: 1274600 30.164 -23.1057 12.9605 -23.1058 -25.5191 -49.4551 12.9606 -49.4551 -48.248 GPRESSAVG: 1274600 31.0716 -22.0487 11.3553 -23.6209 -26.7526 -47.6807 12.8672 -48.6856 -48.0325 TIMING: 1274600 CPU: 3834.91, 0.00303296/step Wall: 3834.91, 0.00303296/step, 3.13861 hours remaining, 208.074219 MB of memory in use. ENERGY: 1274600 750.9523 2127.8653 1889.3172 109.5111 -206098.0339 17867.5109 0.0000 0.0000 34176.0483 -149176.8288 298.4679 -183352.8771 -149083.2135 299.4632 59.5443 97.2314 557225.7928 -14.5344 -14.5712 PRESSURE: 1274800 -143.191 21.6311 28.3692 21.63 61.58 -20.343 28.3683 -20.343 27.8293 GPRESSURE: 1274800 -134.711 104.235 37.2485 50.1312 132.964 -28.6756 -12.6781 -18.5801 42.5502 PRESSAVG: 1274800 -59.3769 -6.95105 12.244 -6.95113 -23.4209 -45.7384 12.244 -45.7384 61.3902 GPRESSAVG: 1274800 -60.3545 -7.34677 13.1367 -6.65228 -20.7329 -47.6906 15.7106 -47.1092 60.2746 TIMING: 1274800 CPU: 3835.51, 0.00301827/step Wall: 3835.51, 0.00301827/step, 3.12324 hours remaining, 208.199219 MB of memory in use. ENERGY: 1274800 734.5796 2081.3057 1928.8950 96.5709 -206226.1127 17942.4579 0.0000 0.0000 34118.0172 -149324.2864 297.9611 -183442.3036 -149228.4983 299.0509 -17.9272 13.6010 558950.1868 -7.1359 -6.9376 PRESSURE: 1275000 16.3306 203.708 -16.668 203.709 -141.274 57.3763 -16.6684 57.3754 40.7145 GPRESSURE: 1275000 45.6493 147.654 2.46706 216.678 -111.197 99.8132 -4.03409 60.9298 71.9254 PRESSAVG: 1275000 -38.6388 -15.9508 -12.9476 -15.9508 -44.0821 -49.0071 -12.9477 -49.007 95.037 GPRESSAVG: 1275000 -38.1946 -17.2611 -10.8882 -14.5228 -46.0586 -49.9572 -15.8659 -47.0453 95.7501 TIMING: 1275000 CPU: 3836.11, 0.00299779/step Wall: 3836.11, 0.00299779/step, 3.10188 hours remaining, 208.199219 MB of memory in use. ENERGY: 1275000 738.9783 2062.8510 1942.4076 107.7318 -206206.7376 17862.2925 0.0000 0.0000 34415.8783 -149076.5981 300.5624 -183492.4763 -148975.6828 299.5731 -28.0764 2.1260 558672.5747 4.1054 3.8323 PRESSURE: 1275200 -53.4987 108.724 191.229 108.724 32.7272 72.3149 191.229 72.3163 -87.2739 GPRESSURE: 1275200 -40.9242 148.051 249.955 67.7038 75.4072 40.5574 124.989 33.5598 -50.1085 PRESSAVG: 1275200 -7.26817 42.2636 57.9895 42.2636 -69.2816 -67.4108 57.9896 -67.4108 70.4789 GPRESSAVG: 1275200 -7.44785 40.8183 54.5213 40.1044 -68.5524 -66.8319 57.1314 -67.356 70.0452 TIMING: 1275200 CPU: 3836.72, 0.00301635/step Wall: 3836.72, 0.00301635/step, 3.12091 hours remaining, 208.199219 MB of memory in use. ENERGY: 1275200 760.0497 2073.0252 1957.2117 108.1499 -206077.1341 17773.7497 0.0000 0.0000 34231.0558 -149173.8922 298.9483 -183404.9479 -149075.6712 299.8955 -36.0151 -5.2085 557332.0213 -2.0236 -1.9850 PRESSURE: 1275400 206.476 -89.1261 8.01725 -89.126 11.8761 -104.916 8.01657 -104.916 -71.7472 GPRESSURE: 1275400 221.607 48.066 3.24185 -201.377 66.4116 -9.22599 -98.9974 -126.391 -42.6035 PRESSAVG: 1275400 -13.6631 4.31098 26.3639 4.31111 18.5823 -22.1642 26.3638 -22.1642 -27.652 GPRESSAVG: 1275400 -14.7312 7.57577 26.1584 3.28139 18.3688 -22.5994 27.1766 -20.3845 -26.9989 TIMING: 1275400 CPU: 3837.33, 0.00305084/step Wall: 3837.33, 0.00305084/step, 3.15643 hours remaining, 208.199219 MB of memory in use. ENERGY: 1275400 749.9309 2078.4177 1939.4821 113.5032 -206046.4953 17925.6880 0.0000 0.0000 34109.2067 -149130.2668 297.8842 -183239.4736 -149034.9182 299.7541 48.8683 81.8051 558144.6644 -7.5776 -7.7871 PRESSURE: 1275600 199.027 -21.1616 27.0056 -21.1626 99.8966 -149.399 27.0043 -149.398 185.151 GPRESSURE: 1275600 254.48 38.3502 -75.8202 -44.1123 143.809 -170.137 77.1028 -79.0646 192.06 PRESSAVG: 1275600 -3.50255 -13.7078 -39.4308 -13.7078 12.9062 -22.0769 -39.4308 -22.0769 -22.9464 GPRESSAVG: 1275600 -3.2847 -15.7687 -38.2884 -12.7839 13.2623 -19.9881 -40.6936 -24.2949 -23.7163 TIMING: 1275600 CPU: 3837.93, 0.00300365/step Wall: 3837.93, 0.00300365/step, 3.10744 hours remaining, 208.199219 MB of memory in use. ENERGY: 1275600 719.9715 2104.9109 1943.5504 125.8052 -206645.7378 18148.8565 0.0000 0.0000 34543.6597 -149058.9836 301.6784 -183602.6433 -148968.9609 299.9223 161.3582 196.7830 557611.1841 -4.5142 -4.5795 PRESSURE: 1275800 -124.822 222.06 -58.9763 222.061 -356.949 -5.71458 -58.9762 -5.71435 -155.81 GPRESSURE: 1275800 -156.262 227.43 -0.28793 154.835 -237.693 31.6011 -106.027 -75.8668 -137.999 PRESSAVG: 1275800 49.3495 48.9282 -36.9697 48.9282 -25.4602 -2.92234 -36.9696 -2.92226 48.8816 GPRESSAVG: 1275800 48.9926 50.2864 -36.7925 50.0241 -25.6121 -5.01777 -36.5604 -4.56897 49.3512 TIMING: 1275800 CPU: 3838.53, 0.00301632/step Wall: 3838.53, 0.00301632/step, 3.12038 hours remaining, 208.199219 MB of memory in use. ENERGY: 1275800 754.9221 2095.0853 1933.3462 126.1059 -205775.8095 17394.9512 0.0000 0.0000 34207.3871 -149264.0117 298.7416 -183471.3988 -149169.5665 299.7441 -212.5272 -177.3180 557651.5822 24.2570 24.2439 PRESSURE: 1276000 -113.687 -78.0071 15.1683 -78.0078 -196.45 108.98 15.1679 108.98 36.0115 GPRESSURE: 1276000 -46.1569 -139.359 103.736 -22.3325 -207.222 185.111 25.6786 69.2021 64.6211 PRESSAVG: 1276000 9.20356 37.6877 -34.458 37.6877 -14.4863 -13.9156 -34.458 -13.9156 -0.737365 GPRESSAVG: 1276000 9.15413 37.4202 -34.8297 36.9265 -14.6978 -12.5039 -33.6203 -12.9767 -1.33765 TIMING: 1276000 CPU: 3839.14, 0.00304724/step Wall: 3839.14, 0.00304724/step, 3.1522 hours remaining, 208.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1276000 758.4835 2099.6700 1909.8283 108.0481 -205904.2851 17611.6641 0.0000 0.0000 34220.7888 -149195.8024 298.8587 -183416.5912 -149100.9597 298.7989 -91.3751 -62.9191 557843.8360 -2.0067 -2.2938 PRESSURE: 1276200 197.05 -1.29426 150.025 -1.29313 -105.932 -88.1045 150.023 -88.1052 -0.656481 GPRESSURE: 1276200 267.283 -14.7343 63.3653 -54.7139 -101.567 -97.9795 141.577 -74.0028 15.9891 PRESSAVG: 1276200 55.2383 -34.7149 3.08982 -34.7149 -94.3303 -28.0952 3.08991 -28.0952 38.9859 GPRESSAVG: 1276200 54.9116 -35.099 4.62621 -34.3 -94.537 -28.3552 2.61415 -25.9751 39.1483 TIMING: 1276200 CPU: 3839.75, 0.00303176/step Wall: 3839.75, 0.00303176/step, 3.13602 hours remaining, 208.199219 MB of memory in use. ENERGY: 1276200 765.3672 2113.6077 1924.8992 136.7105 -206379.4097 17937.5920 0.0000 0.0000 34108.0570 -149393.1760 297.8741 -183501.2330 -149301.4805 298.3996 30.1536 60.5685 557232.0411 -0.0354 -0.1590 LDB: ============= START OF LOAD BALANCING ============== 3843.27 LDB: ============== END OF LOAD BALANCING =============== 3843.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3843.27 LDB: ============= START OF LOAD BALANCING ============== 3843.57 LDB: Largest compute 4800 load 0.027037 is 22.9% of average load 0.117958 LDB: Average compute 0.001758 is 1.5% of average load 0.117958 LDB: TIME 3843.58 LOAD: AVG 0.117958 MAX 0.213922 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.273 MB LDB: TIME 3843.58 LOAD: AVG 0.117958 MAX 0.213922 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.477 MB LDB: TIME 3843.58 LOAD: AVG 0.117958 MAX 0.213922 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.477 MB LDB: ============== END OF LOAD BALANCING =============== 3843.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3843.58 PRESSURE: 1276400 -2.08438 -50.6394 27.4041 -50.639 -225.158 -89.7268 27.4037 -89.7262 -361.15 GPRESSURE: 1276400 13.765 13.4293 20.445 -46.8284 -168.651 -167.843 45.9565 -91.5496 -322.718 PRESSAVG: 1276400 88.7054 -17.6012 33.9658 -17.6012 -68.3499 -20.7226 33.9658 -20.7227 -6.43175 GPRESSAVG: 1276400 89.0145 -16.1397 33.0408 -17.3762 -68.293 -20.8023 34.9964 -22.4825 -6.22573 TIMING: 1276400 CPU: 3840.37, 0.00309428/step Wall: 3840.37, 0.00309428/step, 3.20052 hours remaining, 208.457031 MB of memory in use. ENERGY: 1276400 753.3890 2130.5767 1938.2123 122.3201 -205915.9934 17519.9086 0.0000 0.0000 34085.6810 -149365.9057 297.6787 -183451.5868 -149274.9152 298.7448 -196.1309 -159.2015 558355.3404 4.6413 4.8319 PRESSURE: 1276600 121.54 208.196 51.9958 208.197 110.723 -194.839 51.9957 -194.839 21.3973 GPRESSURE: 1276600 225.693 305.583 68.9325 133.032 138.407 -129.262 -8.03988 -154.003 -13.4435 PRESSAVG: 1276600 91.5422 -7.25311 -30.0638 -7.25312 -31.095 -32.4842 -30.0638 -32.4841 -96.4293 GPRESSAVG: 1276600 92.5748 -8.61863 -30.08 -8.6498 -31.7603 -34.2764 -31.2391 -30.2752 -97.2361 TIMING: 1276600 CPU: 3840.97, 0.00304275/step Wall: 3840.97, 0.00304275/step, 3.14705 hours remaining, 208.660156 MB of memory in use. ENERGY: 1276600 745.9320 2116.9817 1956.8160 113.0021 -206290.8603 18114.9087 0.0000 0.0000 33976.2781 -149266.9416 296.7233 -183243.2197 -149170.3182 298.4237 84.5535 116.8854 558482.8196 -11.9940 -12.1405 PRESSURE: 1276800 40.8124 -202.095 -152.858 -202.094 230.144 59.9683 -152.858 59.9693 230.977 GPRESSURE: 1276800 67.428 -205.906 -27.5552 -143.7 246.745 21.4866 -248.524 128.151 276.554 PRESSAVG: 1276800 38.6034 5.20793 -31.2989 5.20788 15.6738 11.2876 -31.2989 11.2876 -45.8446 GPRESSAVG: 1276800 36.8125 5.26395 -29.6916 8.49523 15.3474 12.1151 -31.1335 13.064 -44.2773 TIMING: 1276800 CPU: 3841.58, 0.00302649/step Wall: 3841.58, 0.00302649/step, 3.13006 hours remaining, 208.660156 MB of memory in use. ENERGY: 1276800 723.4945 2095.5560 1915.6419 94.4221 -206478.3805 17991.8505 0.0000 0.0000 34408.1288 -149249.2866 300.4947 -183657.4155 -149153.5621 299.0738 167.3110 196.9091 557280.3217 2.8109 2.6275 PRESSURE: 1277000 56.3507 71.1218 19.1888 71.1221 -248.956 -28.8023 19.1884 -28.8029 -176.572 GPRESSURE: 1277000 46.5719 94.7718 -50.6159 111.04 -232.627 41.862 39.0434 -114.185 -75.6755 PRESSAVG: 1277000 54.5676 41.5501 -10.8477 41.55 48.0809 34.2439 -10.8477 34.2438 -61.6873 GPRESSAVG: 1277000 55.2274 42.658 -12.944 37.6897 49.2595 34.8379 -9.55097 31.7001 -62.9693 TIMING: 1277000 CPU: 3842.18, 0.00299755/step Wall: 3842.18, 0.00299755/step, 3.09997 hours remaining, 208.660156 MB of memory in use. ENERGY: 1277000 754.7188 2110.5786 1930.9569 96.4525 -206137.3003 17713.2711 0.0000 0.0000 34226.8834 -149304.4390 298.9119 -183531.3223 -149209.8002 300.0281 -123.0590 -87.2437 557290.3336 13.6537 13.8392 PRESSURE: 1277200 49.2404 -53.8885 -19.9137 -53.8884 -165.007 -130.771 -19.9137 -130.772 -305.715 GPRESSURE: 1277200 92.7275 1.42924 -47.1815 2.9427 -132.124 -161.796 -51.045 -96.1409 -279.186 PRESSAVG: 1277200 28.3045 8.19348 29.3274 8.19353 -54.4549 11.8733 29.3274 11.8734 17.3587 GPRESSAVG: 1277200 27.9629 7.23296 29.8905 9.04069 -55.5838 10.5894 27.2172 12.0817 18.8002 TIMING: 1277200 CPU: 3842.78, 0.00298628/step Wall: 3842.78, 0.00298628/step, 3.08814 hours remaining, 208.660156 MB of memory in use. ENERGY: 1277200 751.0791 2107.6023 1980.2416 115.1998 -206148.9368 17734.1998 0.0000 0.0000 34231.2910 -149229.3233 298.9504 -183460.6143 -149137.7254 299.4274 -140.4940 -106.1942 559037.5573 -2.9306 -2.9402 PRESSURE: 1277400 172.462 81.0411 90.8349 81.0408 -96.1837 -30.5662 90.8352 -30.5657 12.5438 GPRESSURE: 1277400 203.095 -17.6591 93.7014 110.018 2.93699 -5.58858 91.7074 -104.196 -15.8715 PRESSAVG: 1277400 43.0064 -21.9568 -17.7868 -21.9568 13.5339 -8.75659 -17.7868 -8.75665 -84.1393 GPRESSAVG: 1277400 44.0179 -23.0144 -17.9074 -20.9347 14.8461 -9.12825 -16.7714 -7.93088 -86.2693 TIMING: 1277400 CPU: 3843.39, 0.00305923/step Wall: 3843.39, 0.00305923/step, 3.16341 hours remaining, 208.660156 MB of memory in use. ENERGY: 1277400 729.2867 2030.2442 1938.1187 116.2597 -205825.8550 17797.1997 0.0000 0.0000 34071.3863 -149143.3597 297.5539 -183214.7460 -149044.4998 298.3871 29.6075 63.3867 558623.1441 -9.1997 -9.1351 PRESSURE: 1277600 -6.31024 -68.4432 36.7369 -68.4426 -260.724 132.946 36.7356 132.947 -146.647 GPRESSURE: 1277600 64.5898 -45.054 -9.32953 -118.419 -274.431 111.66 82.7395 82.55 -118.973 PRESSAVG: 1277600 79.132 32.232 8.70942 32.2319 -67.9518 -1.62457 8.70935 -1.62454 10.5059 GPRESSAVG: 1277600 79.3846 32.2719 7.67901 34.3963 -69.8752 0.340938 7.08183 -3.77964 11.6713 TIMING: 1277600 CPU: 3844, 0.00305819/step Wall: 3844, 0.00305819/step, 3.16217 hours remaining, 208.660156 MB of memory in use. ENERGY: 1277600 722.6267 2135.7227 1945.8281 108.3347 -205981.5526 17427.6666 0.0000 0.0000 34599.6660 -149041.7078 302.1675 -183641.3738 -148944.4881 299.7266 -137.8937 -109.6047 558393.6835 7.2287 7.0602 PRESSURE: 1277800 97.3581 3.60556 -84.8398 3.60651 215.846 214.802 -84.8392 214.803 121.436 GPRESSURE: 1277800 111.736 49.6582 -146.081 -0.273229 199.687 107.829 -88.3859 234.68 219.797 PRESSAVG: 1277800 0.25708 21.6469 -38.3826 21.647 -11.4529 42.0955 -38.3825 42.0954 59.8865 GPRESSAVG: 1277800 0.59996 23.5824 -38.2267 20.7192 -11.2987 40.3023 -39.4857 43.7311 59.4757 TIMING: 1277800 CPU: 3844.61, 0.00304058/step Wall: 3844.61, 0.00304058/step, 3.14379 hours remaining, 208.660156 MB of memory in use. ENERGY: 1277800 766.4268 2110.5958 1952.3517 118.2602 -206325.3981 17972.5004 0.0000 0.0000 34273.6524 -149131.6108 299.3203 -183405.2632 -149038.8850 300.0148 144.8799 177.0733 557208.1042 16.2302 16.2590 PRESSURE: 1278000 24.8064 -178.374 72.5617 -178.374 72.2812 96.6764 72.5632 96.6764 -227.028 GPRESSURE: 1278000 18.4538 -116.279 115.296 -140.839 130.931 145.848 79.0732 78.2812 -184.174 PRESSAVG: 1278000 -31.4533 -80.6724 2.68218 -80.6724 23.4285 28.0173 2.68228 28.0173 24.859 GPRESSAVG: 1278000 -31.8274 -81.6408 4.3477 -82.5112 24.3609 28.2399 4.14941 26.6378 24.2552 TIMING: 1278000 CPU: 3845.21, 0.00301767/step Wall: 3845.21, 0.00301767/step, 3.11993 hours remaining, 208.660156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1278000 753.4907 2097.2329 1969.4170 113.3844 -206441.3998 17827.4710 0.0000 0.0000 34475.9551 -149204.4487 301.0871 -183680.4038 -149106.0634 299.6148 -43.3135 -11.5966 557356.0604 5.6114 5.5962 PRESSURE: 1278200 137.695 -34.9248 -2.77883 -34.9255 139.711 36.2112 -2.77903 36.2114 105.359 GPRESSURE: 1278200 191.214 -70.4971 -58.9627 21.951 105.493 69.6081 -61.594 -59.0662 185.525 PRESSAVG: 1278200 -1.99214 2.00975 -11.564 2.00968 25.7344 -11.7805 -11.5639 -11.7806 -14.8729 GPRESSAVG: 1278200 -1.91395 1.10624 -12.571 3.3891 25.4299 -10.1669 -11.2269 -10.6719 -14.7951 TIMING: 1278200 CPU: 3845.81, 0.00301198/step Wall: 3845.81, 0.00301198/step, 3.11388 hours remaining, 208.660156 MB of memory in use. ENERGY: 1278200 700.0364 2149.3023 1956.2129 121.7307 -206197.6523 17788.0468 0.0000 0.0000 34327.1699 -149155.1532 299.7877 -183482.3231 -149058.5289 299.3746 127.5885 160.7440 557402.0674 2.9565 2.9069 PRESSURE: 1278400 84.6803 71.2857 2.97299 71.287 277.17 42.7859 2.97334 42.7858 38.7747 GPRESSURE: 1278400 153.607 -46.2873 3.24753 141.633 285.712 47.3251 -33.2202 19.6974 46.6612 PRESSAVG: 1278400 42.8857 -22.923 81.8273 -22.9231 7.53418 -0.694261 81.8273 -0.694132 -8.85405 GPRESSAVG: 1278400 43.3924 -21.3868 82.2505 -24.6038 5.9179 -3.94756 81.2214 -2.40581 -8.30067 TIMING: 1278400 CPU: 3846.42, 0.00302485/step Wall: 3846.42, 0.00302485/step, 3.12703 hours remaining, 208.660156 MB of memory in use. ENERGY: 1278400 758.3663 2156.6039 1929.3412 125.1418 -206056.3812 17885.1535 0.0000 0.0000 34159.0044 -149042.7701 298.3191 -183201.7745 -148949.1820 299.9341 133.5416 161.9933 556554.6883 13.8553 13.6699 PRESSURE: 1278600 103.798 102.948 -4.56648 102.948 -20.3988 175.698 -4.56813 175.698 -126.774 GPRESSURE: 1278600 184.132 113.992 -33.7691 59.4219 40.0168 147.414 24.5186 204.167 -163.155 PRESSAVG: 1278600 43.1612 59.4191 22.7087 59.4192 -18.1722 36.8374 22.7087 36.8373 -49.119 GPRESSAVG: 1278600 42.613 58.9467 22.7958 59.5558 -16.8577 38.4881 23.1783 38.0713 -50.3117 TIMING: 1278600 CPU: 3847.03, 0.00302871/step Wall: 3847.03, 0.00302871/step, 3.13084 hours remaining, 208.660156 MB of memory in use. ENERGY: 1278600 731.8424 2144.2490 1915.9683 123.0343 -206073.0024 17727.5807 0.0000 0.0000 34466.9781 -148963.3496 301.0087 -183430.3277 -148859.4599 300.1524 -14.4583 20.3312 557098.2355 -8.0433 -8.1855 PRESSURE: 1278800 -80.3119 69.9423 76.6054 69.9435 14.4544 -3.40567 76.608 -3.40531 -226.923 GPRESSURE: 1278800 -89.2691 36.8847 103.69 90.0209 14.427 -49.3374 55.8446 -21.5025 -130.866 PRESSAVG: 1278800 15.2233 -6.1755 -9.98349 -6.17546 -23.4609 21.6852 -9.98347 21.6852 -29.5438 GPRESSAVG: 1278800 13.5877 -6.64983 -10.3296 -5.13996 -23.523 21.8177 -10.1158 20.0314 -28.2879 TIMING: 1278800 CPU: 3847.63, 0.00304395/step Wall: 3847.63, 0.00304395/step, 3.14643 hours remaining, 208.660156 MB of memory in use. ENERGY: 1278800 744.5193 2119.4475 1905.9103 113.0304 -206197.9808 17664.0083 0.0000 0.0000 34474.5725 -149176.4925 301.0750 -183651.0650 -149080.8946 299.4456 -97.5936 -68.5694 558400.0378 -12.5938 -12.7411 PRESSURE: 1279000 -113.481 161.487 32.322 161.487 -313.388 -39.7734 32.3237 -39.7721 -163.426 GPRESSURE: 1279000 -89.8017 167.442 97.3571 150.464 -289.475 -53.3329 33.843 -63.5194 -117.995 PRESSAVG: 1279000 89.9691 20.3026 5.22704 20.3027 -13.5527 5.56485 5.22699 5.56487 -71.072 GPRESSAVG: 1279000 90.5193 20.8413 4.46251 20.3532 -14.3725 7.06876 5.88043 6.66924 -70.9677 TIMING: 1279000 CPU: 3848.24, 0.00305176/step Wall: 3848.24, 0.00305176/step, 3.15433 hours remaining, 208.660156 MB of memory in use. ENERGY: 1279000 721.3907 2162.3122 1918.2438 111.7434 -205843.1578 17506.5125 0.0000 0.0000 34270.2403 -149152.7151 299.2905 -183422.9553 -149059.7203 299.5157 -196.7653 -165.7573 558759.2248 1.7815 1.7264 PRESSURE: 1279200 -209.992 67.8189 -53.1545 67.8194 6.55834 -40.0314 -53.1547 -40.0299 -187.284 GPRESSURE: 1279200 -172.004 204.427 -43.8022 -28.6786 52.4166 -24.4104 -52.4123 -25.8033 -175.491 PRESSAVG: 1279200 -62.716 21.3883 25.4295 21.3883 82.8006 33.2378 25.4294 33.2379 -72.7955 GPRESSAVG: 1279200 -62.1436 24.2586 24.8992 19.5329 81.931 32.2218 26.116 34.2066 -73.2419 TIMING: 1279200 CPU: 3848.84, 0.00298421/step Wall: 3848.84, 0.00298421/step, 3.08435 hours remaining, 208.660156 MB of memory in use. ENERGY: 1279200 741.3481 2097.0500 1921.4881 121.3559 -206131.3281 17752.0314 0.0000 0.0000 34208.3225 -149289.7321 298.7498 -183498.0546 -149192.4903 299.0910 -130.2391 -98.3593 558559.2272 -17.5703 -17.8182 PRESSURE: 1279400 44.0374 43.5055 -175.002 43.5052 -76.7869 110.058 -175.002 110.058 -143.853 GPRESSURE: 1279400 57.4824 -5.73888 -139.498 71.1103 -69.4232 128.029 -174.56 83.1878 -67.3787 PRESSAVG: 1279400 1.4493 -44.8722 55.9694 -44.8721 3.83675 45.4287 55.9694 45.4287 -4.69298 GPRESSAVG: 1279400 1.47728 -47.1103 55.3009 -44.9961 3.47839 43.9735 58.2734 44.4861 -4.91581 TIMING: 1279400 CPU: 3849.44, 0.0029959/step Wall: 3849.44, 0.0029959/step, 3.09626 hours remaining, 208.660156 MB of memory in use. ENERGY: 1279400 777.9345 2099.6160 1923.5775 109.1865 -206305.8947 17843.7192 0.0000 0.0000 34354.8206 -149197.0404 300.0292 -183551.8610 -149098.3437 298.2334 -58.8677 -26.4398 558882.4370 0.1977 0.0133 PRESSURE: 1279600 121.166 -38.6132 43.2973 -38.6142 -19.8414 -54.6569 43.2984 -54.6586 -186.403 GPRESSURE: 1279600 161.064 -64.313 83.3745 -31.2734 49.6521 -94.3394 52.3293 -40.246 -185.339 PRESSAVG: 1279600 62.9935 -8.27498 12.8547 -8.27487 -40.8439 16.6147 12.8548 16.6147 -12.1055 GPRESSAVG: 1279600 63.292 -7.88449 12.0675 -7.87956 -40.8568 16.2774 10.8021 18.2873 -12.0781 TIMING: 1279600 CPU: 3850.04, 0.00299502/step Wall: 3850.04, 0.00299502/step, 3.09518 hours remaining, 208.660156 MB of memory in use. ENERGY: 1279600 739.9138 2096.3527 1930.1576 111.6934 -205495.3370 17489.3908 0.0000 0.0000 34034.1702 -149093.6585 297.2289 -183127.8287 -149000.4423 299.2992 -28.3595 8.4592 556997.6764 3.3480 3.4524 PRESSURE: 1279800 83.2341 -101.515 35.5322 -101.515 -116.951 -103.028 35.5325 -103.028 -232.326 GPRESSURE: 1279800 86.7957 -42.3635 83.6039 -106.704 -111.078 -102.584 11.2623 -110.834 -149.701 PRESSAVG: 1279800 65.2378 6.91957 7.76423 6.91965 -100.596 -7.93173 7.7643 -7.93176 73.6667 GPRESSAVG: 1279800 64.3616 6.53805 9.83486 7.10008 -100.275 -6.58893 5.89197 -9.57513 73.7664 TIMING: 1279800 CPU: 3850.64, 0.00298378/step Wall: 3850.64, 0.00298378/step, 3.08341 hours remaining, 208.660156 MB of memory in use. ENERGY: 1279800 720.2251 2092.1420 1941.5086 122.6654 -205844.1468 17611.6113 0.0000 0.0000 34383.2836 -148972.7108 300.2778 -183355.9944 -148875.0918 299.3919 -88.6812 -57.9945 557565.5033 12.7697 12.6176 PRESSURE: 1280000 -70.9458 -237.613 67.7812 -237.613 36.1623 18.6678 67.7815 18.6683 227.209 GPRESSURE: 1280000 -44.7259 -146.22 80.8931 -221.29 93.8967 -31.529 22.018 21.386 247.693 PRESSAVG: 1280000 25.4776 -55.1249 37.7181 -55.1249 4.90869 -10.3379 37.7181 -10.3379 -37.4506 GPRESSAVG: 1280000 24.883 -54.8652 36.7399 -53.8706 5.36937 -9.86958 37.6312 -12.2812 -37.2864 TIMING: 1280000 CPU: 3851.23, 0.0029863/step Wall: 3851.23, 0.0029863/step, 3.08584 hours remaining, 208.660156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1280000 752.0899 2064.0368 1928.3802 104.3332 -206422.5720 17987.4100 0.0000 0.0000 34416.3933 -149169.9287 300.5669 -183586.3220 -149079.2539 300.6319 64.1418 98.9547 556806.3279 -2.3548 -2.3447 PRESSURE: 1280200 -35.7278 70.145 -42.2956 70.1439 -192.408 66.4715 -42.2964 66.4711 -87.8852 GPRESSURE: 1280200 52.4471 55.1319 -4.02615 -19.1318 -198.888 42.4448 -0.50885 5.96396 -75.2929 PRESSAVG: 1280200 41.5007 11.7416 4.91147 11.7415 -10.3653 10.455 4.9114 10.4549 0.0803394 GPRESSAVG: 1280200 41.6471 14.5137 4.62674 9.5769 -11.2765 11.1893 6.49987 11.3128 0.441733 TIMING: 1280200 CPU: 3851.83, 0.00298585/step Wall: 3851.83, 0.00298585/step, 3.08522 hours remaining, 208.660156 MB of memory in use. ENERGY: 1280200 777.3146 2135.6983 1923.8045 104.9499 -206036.4657 17512.3507 0.0000 0.0000 34273.9278 -149308.4198 299.3227 -183582.3477 -149205.5546 299.6131 -105.3404 -73.9114 558117.6970 10.4052 10.2708 LDB: ============= START OF LOAD BALANCING ============== 3855.35 LDB: ============== END OF LOAD BALANCING =============== 3855.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3855.35 LDB: ============= START OF LOAD BALANCING ============== 3855.66 LDB: Largest compute 4800 load 0.027232 is 23.1% of average load 0.117886 LDB: Average compute 0.001759 is 1.5% of average load 0.117886 LDB: TIME 3855.66 LOAD: AVG 0.117886 MAX 0.215071 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.723 MB LDB: TIME 3855.66 LOAD: AVG 0.117886 MAX 0.215071 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.723 MB LDB: TIME 3855.66 LOAD: AVG 0.117886 MAX 0.215071 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.723 MB LDB: ============== END OF LOAD BALANCING =============== 3855.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3855.67 PRESSURE: 1280400 -0.873988 78.9854 -188.228 78.986 27.0861 -64.5302 -188.228 -64.5293 19.405 GPRESSURE: 1280400 9.56043 43.8426 -206.654 17.1588 81.1125 -114.396 -210.592 -23.3988 46.0468 PRESSAVG: 1280400 -10.7251 -38.7425 -0.566303 -38.7425 13.2771 59.5067 -0.566364 59.5067 -6.73484 GPRESSAVG: 1280400 -9.13626 -40.5506 -0.319612 -37.6024 13.7289 58.5275 -0.301909 60.7701 -8.37228 TIMING: 1280400 CPU: 3852.45, 0.00309969/step Wall: 3852.45, 0.00309969/step, 3.20267 hours remaining, 206.664062 MB of memory in use. ENERGY: 1280400 713.0705 2129.0486 1934.4966 105.0470 -205883.2684 17516.2827 0.0000 0.0000 34203.8266 -149281.4964 298.7105 -183485.3229 -149179.0382 298.9389 15.2057 45.5732 556664.1115 -1.3943 -1.2599 PRESSURE: 1280600 -64.0723 -16.7297 -32.9568 -16.7305 86.5601 -121.967 -32.9568 -121.965 -63.3416 GPRESSURE: 1280600 -9.93709 -45.215 4.03294 -5.42186 114.777 -139.814 -77.2709 -113.542 -46.5777 PRESSAVG: 1280600 -5.32123 -23.0901 -64.2288 -23.0901 -9.53264 -38.924 -64.2289 -38.9239 16.9551 GPRESSAVG: 1280600 -4.01666 -23.7167 -64.4246 -22.7617 -11.2946 -40.6608 -66.1439 -38.6607 17.3256 TIMING: 1280600 CPU: 3853.06, 0.0030298/step Wall: 3853.06, 0.0030298/step, 3.13028 hours remaining, 206.664062 MB of memory in use. ENERGY: 1280600 731.8987 2099.8429 1951.3361 120.8633 -205562.3954 17613.2452 0.0000 0.0000 33989.4712 -149055.7380 296.8385 -183045.2092 -148960.0509 298.3410 -13.6179 19.4207 558714.6109 0.7004 0.6715 PRESSURE: 1280800 324.309 13.9943 -4.69596 13.994 2.75399 -134.085 -4.69701 -134.083 7.11652 GPRESSURE: 1280800 398.084 71.6405 35.8933 -34.5092 13.4118 -174.685 -35.7354 -87.3868 16.1018 PRESSAVG: 1280800 18.0874 -9.84101 -12.7683 -9.84102 -80.6903 -52.9664 -12.7681 -52.9663 64.0022 GPRESSAVG: 1280800 16.3824 -10.9154 -10.4636 -9.46281 -80.2677 -51.5439 -12.2078 -53.0616 64.8302 TIMING: 1280800 CPU: 3853.66, 0.00300609/step Wall: 3853.66, 0.00300609/step, 3.10562 hours remaining, 206.664062 MB of memory in use. ENERGY: 1280800 698.5282 2090.7152 1937.6639 117.4716 -205682.7646 17709.4463 0.0000 0.0000 34246.0075 -148882.9320 299.0789 -183128.9395 -148789.2384 299.8613 111.3933 142.5326 558955.0921 0.4664 0.3150 PRESSURE: 1281000 134.87 -91.3696 -67.6738 -91.3694 -200.777 -78.7944 -67.6742 -78.7947 -198.026 GPRESSURE: 1281000 228.328 -155.835 -44.9596 -80.3658 -212.798 -14.7114 -41.9003 -64.4179 -182.153 PRESSAVG: 1281000 69.7625 -16.3372 -9.98219 -16.3371 -69.2879 37.7048 -9.98223 37.7048 -23.7693 GPRESSAVG: 1281000 69.4881 -15.0207 -12.3995 -19.1174 -67.3956 36.4327 -7.97592 40.2132 -25.4077 TIMING: 1281000 CPU: 3854.25, 0.00298375/step Wall: 3854.25, 0.00298375/step, 3.08238 hours remaining, 206.664062 MB of memory in use. ENERGY: 1281000 783.3771 2123.4803 1885.2244 120.0427 -205737.7446 17644.4910 0.0000 0.0000 34502.2208 -148678.9081 301.3165 -183181.1290 -148582.2431 300.6440 -87.9775 -55.5413 559008.5182 -7.7649 -7.7717 PRESSURE: 1281200 11.8233 -4.89498 156.06 -4.89456 -43.6059 64.1631 156.06 64.1648 87.001 GPRESSURE: 1281200 36.6163 -1.09385 164.161 104.089 11.2735 99.6898 234.618 98.1122 101.41 PRESSAVG: 1281200 22.6255 -8.3139 27.0853 -8.31386 -72.8412 23.4383 27.0853 23.4382 57.9993 GPRESSAVG: 1281200 22.8887 -8.01316 27.3329 -5.67995 -73.0492 25.0882 26.6994 21.0039 57.8176 TIMING: 1281200 CPU: 3854.85, 0.00299305/step Wall: 3854.85, 0.00299305/step, 3.09182 hours remaining, 206.664062 MB of memory in use. ENERGY: 1281200 729.5486 2121.3817 1911.5577 121.1258 -205796.8527 17787.6576 0.0000 0.0000 34282.3685 -148843.2127 299.3965 -183125.5813 -148738.5879 300.2169 18.4062 49.7665 558644.2516 2.5945 2.5524 PRESSURE: 1281400 129.811 -97.6101 89.5222 -97.6101 41.7454 -7.80531 89.521 -7.80453 248.185 GPRESSURE: 1281400 182.289 -48.1506 53.0181 -102.392 90.5093 -104.653 104.842 37.1852 240.647 PRESSAVG: 1281400 39.7308 -18.5402 32.2517 -18.5401 -33.3618 13.7418 32.2517 13.7419 24.259 GPRESSAVG: 1281400 39.173 -20.3491 33.1387 -18.5305 -33.3452 12.9153 29.5605 13.6994 25.0611 TIMING: 1281400 CPU: 3855.45, 0.00300837/step Wall: 3855.45, 0.00300837/step, 3.10748 hours remaining, 206.664062 MB of memory in use. ENERGY: 1281400 741.6433 2089.2253 1909.0318 117.2223 -205999.1127 18020.7200 0.0000 0.0000 34205.5508 -148915.7192 298.7256 -183121.2700 -148818.5618 300.0893 139.9139 171.1486 557440.8722 10.2093 10.2963 PRESSURE: 1281600 -243.184 -44.9638 211.837 -44.9643 -256.035 -2.59663 211.837 -2.59654 -274.477 GPRESSURE: 1281600 -151.49 -8.26065 151.508 2.9981 -265.088 -56.8021 228.661 -46.8011 -270.921 PRESSAVG: 1281600 37.3396 37.8426 -21.6269 37.8426 -13.9004 -17.5774 -21.6269 -17.5773 6.02243 GPRESSAVG: 1281600 36.6886 38.885 -22.7544 37.2505 -13.1405 -17.9344 -20.6101 -16.1418 5.78618 TIMING: 1281600 CPU: 3856.06, 0.00300962/step Wall: 3856.06, 0.00300962/step, 3.1086 hours remaining, 206.664062 MB of memory in use. ENERGY: 1281600 778.6405 2080.1996 1900.8692 123.3976 -205601.1192 17369.5941 0.0000 0.0000 34347.9901 -149000.4281 299.9695 -183348.4182 -148906.8688 299.6367 -257.8987 -229.1666 557492.1069 9.8205 9.7781 PRESSURE: 1281800 -127.121 32.2991 -47.4564 32.2994 253.964 -103.594 -47.457 -103.593 150.121 GPRESSURE: 1281800 -69.7566 -33.7786 -8.72749 114.552 230.569 -157.802 -99.9692 -1.59111 219.686 PRESSAVG: 1281800 19.7747 3.27449 -24.6402 3.27448 -0.775244 -20.788 -24.6401 -20.7879 -46.3938 GPRESSAVG: 1281800 21.1742 1.88578 -22.8848 4.40925 -2.52144 -19.2987 -22.6376 -21.9885 -46.0554 TIMING: 1281800 CPU: 3856.66, 0.00300271/step Wall: 3856.66, 0.00300271/step, 3.1013 hours remaining, 206.664062 MB of memory in use. ENERGY: 1281800 762.2457 2089.3152 1925.4059 118.5813 -206232.9219 17990.7639 0.0000 0.0000 34270.1906 -149076.4192 299.2901 -183346.6098 -148978.7202 299.4800 92.3212 126.8329 555770.1488 -9.1314 -9.1342 PRESSURE: 1282000 395.528 73.0193 -83.0702 73.0178 92.6262 52.8922 -83.0704 52.8921 -50.5258 GPRESSURE: 1282000 317.1 98.8997 -45.6825 -10.012 175.378 204.5 -123.54 -2.28098 49.2984 PRESSAVG: 1282000 -36.7637 -49.946 1.21403 -49.9461 75.6762 -12.9276 1.21407 -12.9276 -23.3278 GPRESSAVG: 1282000 -37.0572 -48.6123 0.305356 -52.0486 75.868 -12.9229 -2.74775 -13.1847 -22.6715 TIMING: 1282000 CPU: 3857.26, 0.00299167/step Wall: 3857.26, 0.00299167/step, 3.08974 hours remaining, 206.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1282000 747.3090 2104.6248 1918.9233 114.8700 -206488.8174 18044.9691 0.0000 0.0000 34521.4112 -149036.7099 301.4841 -183558.1211 -148939.4932 300.4732 145.8762 180.5922 556956.1483 5.1949 5.3798 PRESSURE: 1282200 -213.606 39.3964 200.356 39.3967 -167.602 94.054 200.356 94.0551 -163.518 GPRESSURE: 1282200 -190.458 -17.7879 117.279 69.2312 -110.54 31.5609 236.064 -2.18363 -141.479 PRESSAVG: 1282200 -6.08415 12.4232 54.221 12.4232 33.2053 -3.70666 54.221 -3.70649 -30.3008 GPRESSAVG: 1282200 -5.71042 11.343 54.4162 14.5748 34.4238 -1.89355 57.611 -6.83872 -31.4719 TIMING: 1282200 CPU: 3857.85, 0.00299612/step Wall: 3857.85, 0.00299612/step, 3.09416 hours remaining, 206.664062 MB of memory in use. ENERGY: 1282200 754.1623 2113.1776 1921.5681 109.0505 -206173.9008 17588.9349 0.0000 0.0000 34268.9771 -149418.0304 299.2795 -183687.0074 -149317.0145 299.4506 -181.5753 -147.4926 557119.3935 -1.0599 -0.9195 PRESSURE: 1282400 217.272 48.7372 11.0639 48.736 -135.641 -97.0949 11.0628 -97.0952 102.231 GPRESSURE: 1282400 255.504 33.3367 -28.1549 98.3885 -65.5405 -108.113 75.476 -11.6279 98.7685 PRESSAVG: 1282400 47.6177 -4.85112 32.6657 -4.85118 -27.2203 -39.2751 32.6657 -39.2751 -8.09857 GPRESSAVG: 1282400 47.6054 -4.01511 33.3545 -5.18373 -26.6162 -42.4849 32.487 -35.0666 -8.92339 TIMING: 1282400 CPU: 3858.45, 0.00299439/step Wall: 3858.45, 0.00299439/step, 3.09221 hours remaining, 206.664062 MB of memory in use. ENERGY: 1282400 758.3829 2114.8619 1907.5216 129.8390 -206250.6939 17963.6776 0.0000 0.0000 34018.0398 -149358.3711 297.0880 -183376.4109 -149258.1221 298.3151 61.2875 96.2440 556356.8189 4.0996 4.0219 PRESSURE: 1282600 137.67 93.8167 72.0219 93.8163 -137.544 -2.61775 72.021 -2.61883 69.2369 GPRESSURE: 1282600 191.686 140.151 56.4534 2.82219 -139.936 16.3677 79.1232 58.9771 109.661 PRESSAVG: 1282600 32.5205 27.6781 57.0835 27.6781 -48.9043 -8.09138 57.0834 -8.09141 -3.96197 GPRESSAVG: 1282600 33.3192 27.9532 54.296 26.6299 -50.1522 -6.49413 55.9847 -9.11823 -2.86879 TIMING: 1282600 CPU: 3859.05, 0.0029942/step Wall: 3859.05, 0.0029942/step, 3.09184 hours remaining, 206.664062 MB of memory in use. ENERGY: 1282600 714.1963 2123.6657 1932.7214 108.0079 -206140.5469 17736.0615 0.0000 0.0000 34221.5125 -149304.3816 298.8650 -183525.8941 -149209.3659 299.4265 23.1208 53.8039 556946.2239 -6.7819 -6.5673 PRESSURE: 1282800 -274.791 -46.5851 -154.802 -46.5834 -291.395 -6.15684 -154.801 -6.15696 -91.2978 GPRESSURE: 1282800 -266.051 -65.6589 -71.2141 58.1903 -189.49 -90.2302 -157.178 10.3314 -102.654 PRESSAVG: 1282800 -2.23652 10.4598 -3.37559 10.4597 8.64282 -1.2099 -3.37556 -1.20988 9.56672 GPRESSAVG: 1282800 -2.92124 9.817 -2.9711 11.377 9.84642 -1.51472 -2.07001 -2.79308 9.18775 TIMING: 1282800 CPU: 3859.65, 0.00298425/step Wall: 3859.65, 0.00298425/step, 3.0814 hours remaining, 206.664062 MB of memory in use. ENERGY: 1282800 755.3067 2114.7950 1929.9676 114.3684 -205959.1628 17516.0934 0.0000 0.0000 34315.5027 -149213.1289 299.6858 -183528.6317 -149114.3254 299.4008 -219.1614 -186.0651 556883.0582 5.3243 5.3710 PRESSURE: 1283000 -306.113 43.3053 111.237 43.3049 -47.8712 163.505 111.237 163.507 94.8679 GPRESSURE: 1283000 -267.354 36.3247 103.598 5.26782 4.54089 190.982 103.908 176.141 90.4378 PRESSAVG: 1283000 18.8404 9.89073 -2.51607 9.89074 66.9549 42.3326 -2.51604 42.3327 -68.3118 GPRESSAVG: 1283000 20.3809 11.2897 -0.0753108 9.51605 65.4569 43.658 -5.32772 42.6 -68.3498 TIMING: 1283000 CPU: 3860.24, 0.00296151/step Wall: 3860.24, 0.00296151/step, 3.05775 hours remaining, 206.664062 MB of memory in use. ENERGY: 1283000 769.1934 2075.4565 1948.4858 96.3267 -206042.7174 17680.7018 0.0000 0.0000 34434.2591 -149038.2941 300.7229 -183472.5532 -148933.1759 300.5689 -86.3719 -57.4586 556436.1256 5.8278 5.8293 PRESSURE: 1283200 -112.987 122.931 205.469 122.931 16.5416 -16.4149 205.469 -16.4137 -58.9601 GPRESSURE: 1283200 -97.9259 131.093 217.745 164.443 83.8033 -51.1772 253.092 -18.6126 -44.0086 PRESSAVG: 1283200 47.4851 18.311 31.856 18.311 -42.7375 -2.11818 31.8561 -2.1182 -19.6201 GPRESSAVG: 1283200 46.0274 16.0895 28.8744 18.9495 -41.8036 -3.72892 36.2077 0.348077 -18.6574 TIMING: 1283200 CPU: 3860.83, 0.00296353/step Wall: 3860.83, 0.00296353/step, 3.05968 hours remaining, 206.664062 MB of memory in use. ENERGY: 1283200 738.7405 2124.9058 1945.3669 116.3179 -205886.2541 17659.2388 0.0000 0.0000 34486.6737 -148815.0105 301.1807 -183301.6842 -148720.7597 300.5474 -51.8017 -19.3771 557125.7009 -4.9575 -4.8112 PRESSURE: 1283400 -49.5627 198.823 122.754 198.823 -47.4771 150.72 122.752 150.72 -118.301 GPRESSURE: 1283400 13.7606 96.5343 101.441 251.704 -16.7808 224.457 149.735 186.424 -117.405 PRESSAVG: 1283400 41.9664 25.6546 32.6959 25.6546 43.9503 12.9646 32.696 12.9647 -92.7997 GPRESSAVG: 1283400 42.7464 27.9764 34.3144 22.7409 44.529 13.9008 29.6757 11.3227 -93.8687 TIMING: 1283400 CPU: 3861.43, 0.00300249/step Wall: 3861.43, 0.00300249/step, 3.09974 hours remaining, 206.664062 MB of memory in use. ENERGY: 1283400 746.9145 2104.9012 1920.8771 125.2044 -205652.5298 17540.3884 0.0000 0.0000 34390.6936 -148823.5507 300.3425 -183214.2442 -148714.3368 300.6904 -71.7802 -40.1417 557342.2069 -2.2943 -2.1978 PRESSURE: 1283600 271.228 126.635 -84.3185 126.635 165.565 -45.8751 -84.3164 -45.8764 64.6072 GPRESSURE: 1283600 274.149 146.091 -140.652 92.9655 170.795 24.9565 -88.962 -6.94999 149.575 PRESSAVG: 1283600 13.61 52.5567 -46.0873 52.5568 30.8976 20.8118 -46.0872 20.8118 -28.9802 GPRESSAVG: 1283600 14.2043 51.3979 -46.1019 56.1265 29.2448 20.9696 -45.7147 21.2195 -28.057 TIMING: 1283600 CPU: 3862.03, 0.00299122/step Wall: 3862.03, 0.00299122/step, 3.08794 hours remaining, 206.664062 MB of memory in use. ENERGY: 1283600 768.6542 2146.6261 1922.6536 98.6386 -206219.9799 18063.6346 0.0000 0.0000 34468.2027 -148751.5702 301.0194 -183219.7728 -148657.4909 300.8676 167.1332 198.1731 557354.6036 5.1758 5.1307 PRESSURE: 1283800 -5.73439 -3.62379 -81.5005 -3.62276 106.481 -13.2964 -81.5001 -13.296 -216.29 GPRESSURE: 1283800 45.4373 -19.8246 -121.973 -56.2367 169.329 46.2614 11.6753 -51.6525 -224.046 PRESSAVG: 1283800 36.7687 28.6813 11.6922 28.6812 30.7482 6.01039 11.6922 6.01038 -64.308 GPRESSAVG: 1283800 36.3962 27.5323 11.3058 27.9536 30.58 4.52015 11.1586 5.70611 -64.3196 TIMING: 1283800 CPU: 3862.63, 0.00298559/step Wall: 3862.63, 0.00298559/step, 3.08196 hours remaining, 206.664062 MB of memory in use. ENERGY: 1283800 762.6924 2093.1648 1932.9305 102.0161 -206085.4468 17793.5891 0.0000 0.0000 34503.8665 -148897.1873 301.3308 -183401.0538 -148794.1714 300.3508 -38.5143 -3.0932 557868.8480 1.0696 0.8855 PRESSURE: 1284000 228.103 -197.148 185.57 -197.148 118.301 64.2005 185.57 64.2009 34.4677 GPRESSURE: 1284000 257.753 -175.407 260.353 -125.768 144.344 18.3206 240.079 164.007 80.6607 PRESSAVG: 1284000 -31.2498 -16.5888 0.925397 -16.5888 62.7034 -36.8748 0.925373 -36.8749 -33.1015 GPRESSAVG: 1284000 -31.7748 -14.8793 0.445289 -18.4432 62.9239 -35.4521 2.26115 -37.8591 -32.6175 TIMING: 1284000 CPU: 3863.23, 0.00301089/step Wall: 3863.23, 0.00301089/step, 3.10791 hours remaining, 206.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1284000 767.4955 2063.2643 1933.8166 117.9685 -205712.2044 17858.4077 0.0000 0.0000 34034.3389 -148936.9128 297.2303 -182971.2517 -148845.6479 299.8245 126.9571 160.9192 557980.1184 -0.5493 -0.4895 PRESSURE: 1284200 -88.6942 -4.30738 -124.033 -4.30747 -97.376 27.4274 -124.032 27.4279 -345.822 GPRESSURE: 1284200 -75.4088 15.4225 -150.535 -40.7767 -37.4029 27.0104 -114.567 3.83216 -338.555 PRESSAVG: 1284200 -39.7905 5.1626 1.31099 5.16255 78.4036 8.21942 1.31094 8.21949 -29.3854 GPRESSAVG: 1284200 -38.7846 3.20147 5.04374 5.85838 77.923 8.39699 2.29831 7.56435 -29.6861 TIMING: 1284200 CPU: 3863.84, 0.0030267/step Wall: 3863.84, 0.0030267/step, 3.12406 hours remaining, 206.664062 MB of memory in use. ENERGY: 1284200 776.7876 2152.5136 1917.1268 117.1552 -205904.3330 17601.4336 0.0000 0.0000 34286.0180 -149053.2981 299.4283 -183339.3162 -148958.1679 299.6241 -177.2974 -150.4556 558185.3780 3.0759 3.1508 LDB: ============= START OF LOAD BALANCING ============== 3867.36 LDB: ============== END OF LOAD BALANCING =============== 3867.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3867.36 LDB: ============= START OF LOAD BALANCING ============== 3867.67 LDB: Largest compute 4795 load 0.026367 is 22.4% of average load 0.117890 LDB: Average compute 0.001759 is 1.5% of average load 0.117890 LDB: TIME 3867.67 LOAD: AVG 0.11789 MAX 0.216701 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.977 MB LDB: TIME 3867.67 LOAD: AVG 0.11789 MAX 0.216701 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.18 MB LDB: TIME 3867.67 LOAD: AVG 0.11789 MAX 0.216701 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.18 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3867.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3867.68 PRESSURE: 1284400 -24.2976 50.8667 -236.823 50.8665 -318.911 5.74957 -236.824 5.74874 -534.787 GPRESSURE: 1284400 -21.8796 61.9128 -223.025 36.3781 -218.95 -34.3382 -254.895 60.0252 -534.127 PRESSAVG: 1284400 2.90289 -29.7741 -7.71748 -29.7742 22.8471 47.5438 -7.71749 47.5438 -46.2151 GPRESSAVG: 1284400 1.48507 -28.6889 -9.69504 -30.6915 23.8356 47.164 -9.03939 49.6358 -45.6904 TIMING: 1284400 CPU: 3864.46, 0.00311252/step Wall: 3864.46, 0.00311252/step, 3.21246 hours remaining, 206.792969 MB of memory in use. ENERGY: 1284400 797.3760 2099.4468 1947.7705 117.5815 -205709.2835 17382.4303 0.0000 0.0000 34170.8603 -149193.8181 298.4226 -183364.6784 -149103.1143 299.9472 -292.6652 -258.3189 557651.7271 -6.8217 -6.7899 PRESSURE: 1284600 188.49 2.12465 139.2 2.1226 136.128 40.7562 139.2 40.7582 287.128 GPRESSURE: 1284600 199.443 19.1717 83.5979 -74.5022 164.814 162.806 141.154 -41.6014 343.644 PRESSAVG: 1284600 -15.2329 12.7086 -19.8905 12.7086 26.8867 53.6454 -19.8906 53.6455 19.1248 GPRESSAVG: 1284600 -14.7383 10.4227 -20.0931 14.9186 26.3548 54.5629 -19.427 51.5166 18.4823 TIMING: 1284600 CPU: 3865.07, 0.00303756/step Wall: 3865.07, 0.00303756/step, 3.13493 hours remaining, 206.792969 MB of memory in use. ENERGY: 1284600 729.7475 2119.3966 1907.7369 107.5759 -206643.9553 18046.0519 0.0000 0.0000 34569.7243 -149163.7223 301.9060 -183733.4466 -149065.2817 300.0492 203.9150 235.9671 556052.9011 10.2595 10.0329 PRESSURE: 1284800 127.409 93.4407 37.4416 93.441 -4.90382 5.90033 37.4423 5.90157 26.9619 GPRESSURE: 1284800 165.995 158.429 3.18813 71.4553 15.7001 -61.5542 80.8013 -43.6738 73.1859 PRESSAVG: 1284800 -15.37 39.428 -11.5224 39.428 38.8473 8.86236 -11.5225 8.86247 4.61928 GPRESSAVG: 1284800 -15.5904 42.7476 -11.7568 35.8615 38.2728 6.4116 -11.8843 9.1647 5.85782 TIMING: 1284800 CPU: 3865.68, 0.00304304/step Wall: 3865.68, 0.00304304/step, 3.14042 hours remaining, 206.792969 MB of memory in use. ENERGY: 1284800 732.9770 2124.6000 1921.1069 125.1575 -205773.1079 17657.4585 0.0000 0.0000 34132.7048 -149079.1030 298.0894 -183211.8079 -148990.2466 299.5721 49.8224 84.9605 557737.1856 9.3655 9.5134 PRESSURE: 1285000 -387.204 80.1753 -248.948 80.1773 -196.923 88.3409 -248.95 88.3413 158.896 GPRESSURE: 1285000 -384.313 53.2939 -106.707 52.1823 -147.008 36.466 -239.021 92.1858 195.997 PRESSAVG: 1285000 -28.4193 -11.0013 -2.0537 -11.0012 -37.169 -31.6217 -2.05356 -31.6217 23.2756 GPRESSAVG: 1285000 -27.501 -13.9942 -2.78972 -6.83436 -37.3994 -30.136 -0.540402 -31.7637 22.0271 TIMING: 1285000 CPU: 3866.29, 0.00306801/step Wall: 3866.29, 0.00306801/step, 3.16601 hours remaining, 206.792969 MB of memory in use. ENERGY: 1285000 777.1926 2076.4159 1904.6920 111.2872 -205886.4001 17717.4340 0.0000 0.0000 34148.7990 -149150.5794 298.2300 -183299.3783 -149051.0102 299.7366 -141.7435 -111.7748 559408.8394 -14.1042 -14.2911 PRESSURE: 1285200 -214.431 -66.0213 -46.069 -66.0207 -93.5631 -74.5843 -46.0693 -74.585 6.44055 GPRESSURE: 1285200 -209.252 -48.855 33.6504 -94.8929 -29.5545 6.41689 -105.798 -110.096 22.9793 PRESSAVG: 1285200 -45.4049 -39.0447 -15.0282 -39.0447 7.45603 -12.8005 -15.0283 -12.8005 47.1158 GPRESSAVG: 1285200 -46.432 -36.9006 -13.117 -42.9583 7.28744 -11.9924 -16.8044 -11.6232 48.4286 TIMING: 1285200 CPU: 3866.9, 0.00305244/step Wall: 3866.9, 0.00305244/step, 3.14978 hours remaining, 206.792969 MB of memory in use. ENERGY: 1285200 792.0074 2012.4418 1942.7444 103.7849 -206238.5734 17802.6950 0.0000 0.0000 34399.7894 -149185.1105 300.4219 -183584.8999 -149088.7930 299.3086 -100.5180 -71.9424 558049.5892 3.0557 3.0947 PRESSURE: 1285400 -296.124 -190.734 39.7671 -190.733 -464.929 25.2246 39.7684 25.2238 -465.467 GPRESSURE: 1285400 -244.754 -181.008 19.8625 -167.871 -437.525 1.43368 80.8987 92.0903 -432.543 PRESSAVG: 1285400 -20.8679 48.9679 37.962 48.9679 15.4507 -67.0748 37.962 -67.0748 -32.6805 GPRESSAVG: 1285400 -19.3807 48.7387 35.2978 49.9838 15.2294 -68.5753 39.4539 -68.1453 -34.2993 TIMING: 1285400 CPU: 3867.51, 0.00303067/step Wall: 3867.51, 0.00303067/step, 3.12715 hours remaining, 206.792969 MB of memory in use. ENERGY: 1285400 780.7241 2128.0975 1935.3033 107.8769 -205210.5827 16988.5743 0.0000 0.0000 34151.2397 -149118.7669 298.2513 -183270.0065 -149028.7554 299.6175 -408.8401 -371.6072 558198.2912 -12.6992 -12.8169 PRESSURE: 1285600 245.101 210.108 -102.892 210.108 -108.17 -178.464 -102.893 -178.465 90.8153 GPRESSURE: 1285600 315.263 199.227 -105.075 52.5852 -84.0171 -260.101 -76.629 -130.831 98.1272 PRESSAVG: 1285600 15.4276 2.26961 -59.8027 2.26958 21.9157 55.661 -59.8027 55.6609 -3.45887 GPRESSAVG: 1285600 13.4862 2.32329 -56.5125 2.61822 23.3087 55.6419 -59.3258 55.6267 -3.05884 TIMING: 1285600 CPU: 3868.11, 0.00301216/step Wall: 3868.11, 0.00301216/step, 3.10788 hours remaining, 206.792969 MB of memory in use. ENERGY: 1285600 729.6064 2045.5193 1914.8138 115.2849 -206005.2335 17779.8274 0.0000 0.0000 34237.2784 -149182.9033 299.0027 -183420.1817 -149079.6450 300.2090 75.9157 109.7909 555820.2138 11.2948 11.2454 PRESSURE: 1285800 126.649 19.2692 -168.281 19.2703 87.6403 151.123 -168.281 151.123 -106.96 GPRESSURE: 1285800 167.595 -29.6739 -128.76 71.0636 156.983 194.467 -124.287 117.465 -112.13 PRESSAVG: 1285800 8.41009 -16.1385 -5.54237 -16.1385 22.802 32.4683 -5.54236 32.4684 16.2545 GPRESSAVG: 1285800 9.95853 -15.7648 -8.24622 -14.5277 22.2762 31.7795 -6.34217 35.8662 16.1897 TIMING: 1285800 CPU: 3868.72, 0.00304837/step Wall: 3868.72, 0.00304836/step, 3.14507 hours remaining, 206.792969 MB of memory in use. ENERGY: 1285800 771.9840 2046.9001 1942.1002 110.8120 -206308.5121 17965.1613 0.0000 0.0000 34337.4509 -149134.1036 299.8775 -183471.5545 -149043.2817 299.5343 35.7766 70.8158 556816.1084 15.8222 16.1415 PRESSURE: 1286000 -146.773 36.7768 34.0809 36.7757 -76.3713 142.8 34.0807 142.799 -202.955 GPRESSURE: 1286000 -109.959 66.8643 -13.7158 1.30183 -54.9768 101.344 -17.5932 200.384 -172.531 PRESSAVG: 1286000 10.8365 36.2606 -32.8976 36.2608 34.1195 32.8634 -32.8977 32.8634 -44.6118 GPRESSAVG: 1286000 10.0515 35.4446 -31.4922 35.6354 33.0408 33.7587 -34.7195 31.7423 -42.8122 TIMING: 1286000 CPU: 3869.32, 0.00301349/step Wall: 3869.32, 0.00301349/step, 3.10892 hours remaining, 206.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1286000 745.2230 2090.3310 1902.1072 116.7253 -205906.9375 17559.7756 0.0000 0.0000 34396.0911 -149096.6843 300.3896 -183492.7754 -149008.0545 299.5570 -142.0333 -112.4890 557255.1633 0.1148 0.0934 PRESSURE: 1286200 -17.8992 -53.6954 74.7765 -53.6952 78.4473 -82.976 74.7771 -82.9763 -5.63665 GPRESSURE: 1286200 52.7155 -16.3623 98.3921 -53.3936 55.1409 -44.2006 125.116 -152.229 39.9386 PRESSAVG: 1286200 -31.7193 39.5335 15.4652 39.5334 67.9322 26.5561 15.4652 26.5561 -48.4851 GPRESSAVG: 1286200 -31.7843 39.8876 13.4822 39.3459 69.4807 27.0297 17.1852 25.555 -49.7901 TIMING: 1286200 CPU: 3869.93, 0.00304505/step Wall: 3869.93, 0.00304505/step, 3.14131 hours remaining, 206.792969 MB of memory in use. ENERGY: 1286200 741.6220 2093.2662 1909.5899 119.6742 -206372.4132 17876.4866 0.0000 0.0000 34487.0546 -149144.7198 301.1840 -183631.7744 -149049.1896 299.1377 18.3038 49.2650 556415.3493 -4.0907 -4.0312 PRESSURE: 1286400 61.7315 30.5406 -54.0237 30.542 378.045 96.2913 -54.0229 96.2911 47.7741 GPRESSURE: 1286400 107.251 4.37213 -112.377 -44.0044 361.389 35.5257 -73.7582 75.3712 110.127 PRESSAVG: 1286400 -5.64007 -53.3142 22.4989 -53.3142 61.2276 35.5231 22.4989 35.523 -62.1432 GPRESSAVG: 1286400 -4.86461 -53.8335 21.5319 -53.3846 59.755 36.1091 23.4932 34.208 -61.4595 TIMING: 1286400 CPU: 3870.54, 0.00302467/step Wall: 3870.54, 0.00302467/step, 3.12011 hours remaining, 206.792969 MB of memory in use. ENERGY: 1286400 764.9035 2126.7885 1897.9782 106.3138 -206500.3182 18112.9855 0.0000 0.0000 34337.2542 -149154.0945 299.8758 -183491.3487 -149061.0321 298.6591 162.5168 192.9220 557313.7190 -2.1852 -2.1897 PRESSURE: 1286600 -277.501 -39.0727 -65.067 -39.074 -191.394 -87.0536 -65.0673 -87.0526 -402.054 GPRESSURE: 1286600 -217.428 -23.7317 -6.07942 -34.0909 -153.634 -54.7727 -80.0693 -70.5696 -395.753 PRESSAVG: 1286600 42.7716 -25.6848 16.4565 -25.6849 38.1296 5.95572 16.4566 5.95577 -91.6458 GPRESSAVG: 1286600 42.0719 -24.8138 17.459 -26.6075 38.7397 5.66402 14.9375 7.2729 -91.6644 TIMING: 1286600 CPU: 3871.15, 0.0030694/step Wall: 3871.15, 0.0030694/step, 3.16609 hours remaining, 206.792969 MB of memory in use. ENERGY: 1286600 763.7098 2089.7541 1936.8927 120.1572 -205523.4949 17248.7925 0.0000 0.0000 34125.2411 -149238.9475 298.0242 -183364.1886 -149152.3693 298.8262 -290.3163 -255.6050 558918.7013 -3.5815 -3.6176 PRESSURE: 1286800 -82.636 105.41 98.3365 105.41 -15.0674 -34.9284 98.3375 -34.931 -500.824 GPRESSURE: 1286800 -75.1573 110.063 125.582 117.311 -10.2773 30.3875 132.427 -56.5997 -410.969 PRESSAVG: 1286800 9.41473 4.29611 -35.2612 4.29619 -15.1701 32.0155 -35.2612 32.0156 -21.2454 GPRESSAVG: 1286800 9.66569 2.01155 -33.4271 5.70398 -15.6725 32.6318 -35.6142 30.9013 -21.1656 TIMING: 1286800 CPU: 3871.76, 0.00304541/step Wall: 3871.76, 0.00304541/step, 3.14117 hours remaining, 206.792969 MB of memory in use. ENERGY: 1286800 748.8648 2025.4405 1918.9155 127.8119 -206079.4135 17692.8412 0.0000 0.0000 34203.0023 -149362.5374 298.7033 -183565.5397 -149262.5664 298.6815 -199.5091 -165.4679 560068.0151 -9.0002 -9.0575 PRESSURE: 1287000 81.9696 190.18 -14.2792 190.181 -120.669 -132.893 -14.2779 -132.893 106.552 GPRESSURE: 1287000 102.081 112.96 4.90815 164.836 -31.8351 -103.733 -91.4134 -114.126 97.7876 PRESSAVG: 1287000 20.1136 -9.72116 92.2032 -9.72105 7.87289 -56.3932 92.2034 -56.3931 -50.8157 GPRESSAVG: 1287000 20.7901 -9.47792 89.2614 -10.4827 7.78391 -56.8033 93.874 -55.4055 -51.2672 TIMING: 1287000 CPU: 3872.37, 0.00303593/step Wall: 3872.37, 0.00303593/step, 3.13122 hours remaining, 206.792969 MB of memory in use. ENERGY: 1287000 770.4989 2081.5466 1910.2753 107.1835 -206363.4182 18024.7994 0.0000 0.0000 34038.0645 -149431.0501 297.2629 -183469.1147 -149339.8345 298.4523 22.6176 56.0113 558816.4405 -7.6097 -7.5644 PRESSURE: 1287200 -262.206 -88.4734 -55.6282 -88.4734 -244.805 41.8815 -55.627 41.8823 -163.754 GPRESSURE: 1287200 -257.702 -65.8737 -23.2339 -4.25673 -193.964 63.2071 -70.0992 -5.18618 -127.466 PRESSAVG: 1287200 70.9962 -25.4514 25.4462 -25.4514 -100.492 -100.886 25.4462 -100.885 35.4833 GPRESSAVG: 1287200 70.1906 -24.9388 28.2941 -25.3897 -99.4063 -101.758 23.082 -102.086 34.9814 TIMING: 1287200 CPU: 3872.96, 0.00299642/step Wall: 3872.96, 0.00299642/step, 3.09031 hours remaining, 206.792969 MB of memory in use. ENERGY: 1287200 761.7765 2048.4020 1943.0808 108.4059 -206252.4077 17782.1536 0.0000 0.0000 34221.7886 -149386.8003 298.8674 -183608.5889 -149291.4716 298.1015 -223.5884 -193.0441 559958.4152 1.9960 1.9219 PRESSURE: 1287400 -154.225 -84.6429 -27.9177 -84.6435 -160.775 -73.6497 -27.9168 -73.6499 -175.629 GPRESSURE: 1287400 -71.6472 -152.191 -32.8371 -40.2975 -221.019 -73.341 -32.1361 -103.566 -105.52 PRESSAVG: 1287400 -36.4226 -30.9818 -35.6745 -30.9819 -15.7818 3.22977 -35.6743 3.22975 31.329 GPRESSAVG: 1287400 -34.9071 -31.4956 -38.3184 -30.642 -17.0677 3.28965 -33.0276 3.09435 31.4353 TIMING: 1287400 CPU: 3873.57, 0.00302062/step Wall: 3873.57, 0.00302062/step, 3.1151 hours remaining, 206.792969 MB of memory in use. ENERGY: 1287400 766.5493 2114.5476 1898.4681 115.3985 -205960.4619 17512.2764 0.0000 0.0000 34267.5617 -149285.6604 299.2671 -183553.2221 -149184.1465 298.5472 -163.5429 -132.7286 558451.9948 -6.9585 -6.8465 PRESSURE: 1287600 17.4965 55.8002 19.1496 55.7999 -1.04851 -52.1189 19.1493 -52.1187 -95.3367 GPRESSURE: 1287600 111.941 34.1046 -77.5652 107.621 33.4302 -98.823 23.8771 -63.4051 -119.296 PRESSAVG: 1287600 43.0226 -11.1157 7.50616 -11.1157 -45.9426 -78.3783 7.50615 -78.3782 -10.579 GPRESSAVG: 1287600 43.0484 -11.7666 8.49644 -10.0377 -45.8097 -77.0702 7.55849 -77.9877 -10.9686 TIMING: 1287600 CPU: 3874.17, 0.00300754/step Wall: 3874.17, 0.00300754/step, 3.10144 hours remaining, 206.792969 MB of memory in use. ENERGY: 1287600 781.4946 2091.5330 1910.1751 114.8767 -206200.6999 17741.3355 0.0000 0.0000 34235.2544 -149326.0306 298.9850 -183561.2850 -149228.2188 299.0814 -26.2962 8.6918 557371.6383 -4.4997 -4.5766 PRESSURE: 1287800 238.923 -104.675 134.817 -104.674 -18.8757 227.986 134.817 227.986 -151.412 GPRESSURE: 1287800 265.545 -156.002 127.655 -63.0395 24.6986 208.495 163.198 285.607 -121.019 PRESSAVG: 1287800 63.1024 28.0216 10.1947 28.0216 40.9978 4.41636 10.1947 4.4163 -93.719 GPRESSAVG: 1287800 62.6056 29.0598 11.7426 26.136 40.1324 2.56797 9.06574 5.77722 -92.0866 TIMING: 1287800 CPU: 3874.77, 0.0030106/step Wall: 3874.77, 0.0030106/step, 3.10443 hours remaining, 206.792969 MB of memory in use. ENERGY: 1287800 751.4936 2057.2167 1940.8689 111.3458 -206225.8279 17676.7856 0.0000 0.0000 34495.7251 -149192.3920 301.2597 -183688.1171 -149096.5837 299.2891 22.8785 56.4083 557545.0282 3.4604 3.5505 PRESSURE: 1288000 51.8565 128.285 47.8245 128.284 61.8825 90.7698 47.8231 90.7699 -153.167 GPRESSURE: 1288000 52.0306 87.4281 35.0693 158.862 107.639 7.39237 143.52 191.974 -105.387 PRESSAVG: 1288000 51.3546 15.0375 -1.0229 15.0375 15.6553 70.8067 -1.02287 70.8066 -28.119 GPRESSAVG: 1288000 51.8571 14.5006 -1.81891 14.2426 16.5384 71.8387 -0.109742 71.8984 -29.6785 TIMING: 1288000 CPU: 3875.37, 0.0030062/step Wall: 3875.37, 0.0030062/step, 3.09973 hours remaining, 206.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1288000 738.0327 2019.7380 1941.8101 116.4405 -206281.5808 17762.2286 0.0000 0.0000 34392.3949 -149310.9360 300.3573 -183703.3309 -149216.3406 299.8261 -13.1426 18.0942 557534.2383 12.9636 12.9057 PRESSURE: 1288200 103.756 -176.695 96.0745 -176.695 46.5122 -59.4992 96.0746 -59.4991 84.4865 GPRESSURE: 1288200 178.865 -117.104 107.586 -249.273 29.4271 30.5625 102.751 -190.027 122.459 PRESSAVG: 1288200 32.3404 -10.9409 -19.4705 -10.9409 -19.5426 -11.0827 -19.4705 -11.0828 4.60738 GPRESSAVG: 1288200 31.6411 -11.0682 -20.9329 -10.8732 -19.1947 -10.2091 -19.5026 -12.773 4.99035 TIMING: 1288200 CPU: 3875.98, 0.00301257/step Wall: 3875.98, 0.00301257/step, 3.10613 hours remaining, 206.792969 MB of memory in use. ENERGY: 1288200 747.3654 2086.6658 1922.2545 109.1328 -206204.5771 17941.1248 0.0000 0.0000 34217.5228 -149180.5110 298.8301 -183398.0338 -149077.1864 299.5356 78.2516 110.2506 555972.9304 5.8017 5.8123 LDB: ============= START OF LOAD BALANCING ============== 3879.49 LDB: ============== END OF LOAD BALANCING =============== 3879.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3879.49 LDB: ============= START OF LOAD BALANCING ============== 3879.8 LDB: Largest compute 4800 load 0.028867 is 24.5% of average load 0.117916 LDB: Average compute 0.001757 is 1.5% of average load 0.117916 LDB: TIME 3879.8 LOAD: AVG 0.117916 MAX 0.213247 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 3879.8 LOAD: AVG 0.117916 MAX 0.213247 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: TIME 3879.8 LOAD: AVG 0.117916 MAX 0.213247 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: ============== END OF LOAD BALANCING =============== 3879.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3879.81 PRESSURE: 1288400 -146.491 -157.448 110.764 -157.448 -162.952 136.343 110.764 136.345 151.832 GPRESSURE: 1288400 -89.204 -116.996 89.6295 -116.957 -110.445 90.8516 101.808 134.69 142.197 PRESSAVG: 1288400 -3.70353 -66.6106 -5.37005 -66.6107 -5.81166 -36.9775 -5.3701 -36.9776 -22.3507 GPRESSAVG: 1288400 -3.48992 -63.7625 -4.49201 -66.5026 -5.85118 -40.0402 -6.66663 -36.1704 -22.8006 TIMING: 1288400 CPU: 3876.59, 0.00306328/step Wall: 3876.59, 0.00306328/step, 3.15824 hours remaining, 208.015625 MB of memory in use. ENERGY: 1288400 772.1081 2082.8387 1941.2837 113.0283 -206018.6203 17640.2027 0.0000 0.0000 34392.6894 -149076.4694 300.3599 -183469.1588 -148987.1491 299.8558 -52.5373 -19.1506 555729.0765 -10.6220 -10.7139 PRESSURE: 1288600 -195.002 1.25629 -108.739 1.25575 -177.424 -48.6527 -108.739 -48.6521 -260.221 GPRESSURE: 1288600 -176.383 -15.3991 -128.378 17.7865 -108.048 -53.8768 -11.9099 54.0694 -249.962 PRESSAVG: 1288600 -41.8987 -51.98 -8.30243 -51.9799 96.8795 -9.75305 -8.30246 -9.75307 14.4842 GPRESSAVG: 1288600 -42.2455 -54.7501 -9.03112 -53.0081 96.2226 -6.0702 -7.41892 -10.7554 15.3243 TIMING: 1288600 CPU: 3877.19, 0.00302032/step Wall: 3877.19, 0.00302032/step, 3.11378 hours remaining, 208.015625 MB of memory in use. ENERGY: 1288600 758.5931 2069.0237 1931.2935 118.1223 -205722.3471 17335.6939 0.0000 0.0000 34380.2910 -149129.3296 300.2516 -183509.6206 -149036.5049 300.6598 -210.8824 -178.1311 556472.7622 23.1550 23.1005 PRESSURE: 1288800 -50.0013 -78.9892 -44.4687 -78.9898 -95.7466 -192.181 -44.4669 -192.181 -13.0181 GPRESSURE: 1288800 28.3129 -130.946 -59.7169 -18.8918 -74.968 -219.806 -100.78 -154.508 -29.008 PRESSAVG: 1288800 -29.4895 -49.6967 -5.12863 -49.6967 39.3202 -59.6488 -5.12863 -59.6488 -16.157 GPRESSAVG: 1288800 -28.7893 -50.0841 -6.84664 -48.5752 38.8922 -61.7327 -6.07955 -60.0899 -16.9089 TIMING: 1288800 CPU: 3877.8, 0.00305061/step Wall: 3877.8, 0.00305061/step, 3.14484 hours remaining, 208.015625 MB of memory in use. ENERGY: 1288800 768.7733 2066.9682 1949.1440 114.4103 -206129.4772 17591.8676 0.0000 0.0000 34567.5239 -149070.7899 301.8868 -183638.3138 -148965.9415 300.2970 -52.9220 -25.2210 555049.3251 -2.1088 -2.2687 PRESSURE: 1289000 -10.6385 26.9186 -272.627 26.9192 51.7311 -0.402696 -272.626 -0.402955 87.8809 GPRESSURE: 1289000 21.6639 122.788 -256.755 20.7059 144.921 37.3656 -290.394 41.0408 58.4289 PRESSAVG: 1289000 -6.17631 14.683 -17.4328 14.683 59.7826 -76.0018 -17.4328 -76.0018 -55.9585 GPRESSAVG: 1289000 -6.58276 15.5842 -15.8042 14.8481 60.0254 -74.8761 -16.4831 -75.3073 -55.8709 TIMING: 1289000 CPU: 3878.42, 0.00306263/step Wall: 3878.42, 0.00306263/step, 3.15706 hours remaining, 208.015625 MB of memory in use. ENERGY: 1289000 702.2264 2099.4232 1944.6716 118.1851 -206107.7342 17702.1951 0.0000 0.0000 34361.8333 -149179.1995 300.0904 -183541.0328 -149080.8998 299.7122 42.9911 75.0045 557453.6020 -0.7841 -0.8094 PRESSURE: 1289200 254.126 74.7773 116.084 74.7779 114.713 -58.1325 116.084 -58.1337 -127.391 GPRESSURE: 1289200 327.626 34.8274 106.297 117.728 85.4253 -3.09484 68.7433 -113.615 -74.6341 PRESSAVG: 1289200 7.16613 25.3488 -12.3415 25.3487 21.3758 -30.4292 -12.3415 -30.4292 -64.3031 GPRESSAVG: 1289200 6.92649 25.5017 -12.1825 23.6563 21.4586 -30.1532 -13.1974 -32.0829 -64.578 TIMING: 1289200 CPU: 3879.02, 0.00301908/step Wall: 3879.02, 0.00301908/step, 3.11201 hours remaining, 208.015625 MB of memory in use. ENERGY: 1289200 733.9016 2096.0379 1957.4788 101.3800 -206382.1737 17903.5012 0.0000 0.0000 34345.0837 -149244.7905 299.9442 -183589.8742 -149153.5908 299.3656 80.4826 112.8056 557422.1688 -11.9204 -12.0643 PRESSURE: 1289400 317.358 67.143 100.773 67.1428 18.8828 -174.973 100.774 -174.973 231.059 GPRESSURE: 1289400 306.251 59.5018 77.5002 53.6692 64.0974 -157.73 141.501 -272.312 281.315 PRESSAVG: 1289400 11.719 2.13506 29.0927 2.13507 9.64304 -8.37432 29.0928 -8.37426 -25.062 GPRESSAVG: 1289400 11.6523 1.47225 29.2113 3.92448 9.89858 -8.82838 28.4453 -8.29799 -25.1004 TIMING: 1289400 CPU: 3879.62, 0.00299904/step Wall: 3879.62, 0.00299904/step, 3.09117 hours remaining, 208.015625 MB of memory in use. ENERGY: 1289400 729.4115 2119.6254 1942.9651 119.4278 -206496.3516 18069.7121 0.0000 0.0000 34193.2840 -149321.9256 298.6185 -183515.2096 -149226.4182 298.8560 189.0999 217.2209 556867.8223 -1.2333 -1.1832 PRESSURE: 1289600 185.091 153.201 -104.458 153.202 2.12046 93.9757 -104.459 93.9751 105.84 GPRESSURE: 1289600 243.007 227.595 -162.073 164.916 83.5778 111.333 -77.5556 54.059 67.0182 PRESSAVG: 1289600 75.4598 -47.7552 83.1034 -47.755 46.7721 -48.3626 83.1033 -48.3626 -94.2125 GPRESSAVG: 1289600 76.2368 -46.855 82.6517 -49.8207 45.8249 -49.4953 83.4261 -46.7242 -94.3276 TIMING: 1289600 CPU: 3880.22, 0.00301517/step Wall: 3880.22, 0.00301517/step, 3.10763 hours remaining, 208.015625 MB of memory in use. ENERGY: 1289600 761.5490 2055.4483 1921.6196 100.0569 -206681.0716 18075.4662 0.0000 0.0000 34370.2228 -149396.7087 300.1637 -183766.9316 -149304.1602 299.5180 97.6841 131.2009 556784.6773 9.3398 9.2447 PRESSURE: 1289800 289.891 96.1835 56.3469 96.1833 307.943 -239.625 56.3478 -239.626 150.267 GPRESSURE: 1289800 350.279 108.169 17.0833 159.312 318.941 -267.821 20.5915 -194.45 190.413 PRESSAVG: 1289800 41.0972 -4.55491 55.2215 -4.55494 -3.52207 -30.5338 55.2216 -30.5338 -50.1381 GPRESSAVG: 1289800 41.596 -8.29171 55.7998 -1.92336 -3.43604 -30.2784 55.0266 -30.9384 -51.3288 TIMING: 1289800 CPU: 3880.82, 0.00297444/step Wall: 3880.82, 0.00297444/step, 3.06549 hours remaining, 208.015625 MB of memory in use. ENERGY: 1289800 771.6237 2113.2791 1939.4053 112.3744 -206969.8164 18304.5802 0.0000 0.0000 34180.5121 -149548.0416 298.5069 -183728.5537 -149455.3596 298.6194 249.3671 286.5443 556013.3179 -4.1877 -4.3896 PRESSURE: 1290000 -268.119 10.8974 -191.075 10.8966 -22.6036 147.089 -191.074 147.089 176.764 GPRESSURE: 1290000 -203.223 93.9671 -142.426 -31.5369 -13.622 108.47 -235.054 124.861 193.37 PRESSAVG: 1290000 16.6301 34.4814 24.0908 34.4813 44.5981 -48.0999 24.0908 -48.0999 -17.3132 GPRESSAVG: 1290000 16.1828 37.7778 22.7286 31.8834 44.754 -49.1031 25.4733 -49.9461 -16.4568 TIMING: 1290000 CPU: 3881.41, 0.00297415/step Wall: 3881.41, 0.00297415/step, 3.06503 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: 1290000 753.7748 2086.0677 1924.0297 110.5525 -206532.1775 17927.7699 0.0000 0.0000 34262.6838 -149467.2992 299.2245 -183729.9829 -149366.6423 299.4153 -37.9863 -7.8248 557464.9068 14.6383 14.8267 PRESSURE: 1290200 35.7825 18.5322 -46.4171 18.5312 -70.19 -168.51 -46.4164 -168.508 -38.463 GPRESSURE: 1290200 72.5314 67.1532 -82.4927 16.1011 -94.1421 -122.195 -16.1889 -99.6337 26.0799 PRESSAVG: 1290200 31.2924 22.7837 -4.24889 22.7836 -27.0914 21.0639 -4.24879 21.064 27.1897 GPRESSAVG: 1290200 31.4426 23.116 -2.89737 25.651 -27.857 24.3216 -5.28276 21.5177 28.141 TIMING: 1290200 CPU: 3882.01, 0.00298698/step Wall: 3882.01, 0.00298698/step, 3.07808 hours remaining, 208.015625 MB of memory in use. ENERGY: 1290200 759.9959 2086.2671 1936.4063 110.7929 -206383.3489 17861.5421 0.0000 0.0000 34098.2966 -149530.0482 297.7889 -183628.3448 -149431.6451 299.1066 -24.2901 1.4897 558096.7976 10.4636 10.5755 PRESSURE: 1290400 -200.131 -118.945 74.7618 -118.946 -348.371 14.927 74.7606 14.9277 -283.541 GPRESSURE: 1290400 -139.498 -45.4527 161.952 -158.136 -305.528 103.84 36.0391 -37.842 -302.257 PRESSAVG: 1290400 57.0096 -21.1585 -3.73577 -21.1585 -34.4947 -43.6596 -3.73569 -43.6595 -45.2727 GPRESSAVG: 1290400 56.8867 -21.8237 -4.52686 -21.6223 -34.6287 -44.6139 -3.49643 -44.0857 -45.103 TIMING: 1290400 CPU: 3882.61, 0.00300338/step Wall: 3882.61, 0.00300338/step, 3.09482 hours remaining, 208.015625 MB of memory in use. ENERGY: 1290400 760.2279 2065.4588 1899.5168 119.5529 -206066.4645 17406.6358 0.0000 0.0000 34247.8029 -149567.2694 299.0946 -183815.0723 -149463.1267 298.9480 -277.3475 -249.0942 558274.2855 -7.5859 -7.6150 PRESSURE: 1290600 -14.6004 -133.036 -27.0786 -133.036 -121.712 -43.5462 -27.0774 -43.5471 36.4415 GPRESSURE: 1290600 7.48396 -146.1 -9.54715 -91.3337 -97.0992 -28.0002 -17.5107 -9.26992 96.1299 PRESSAVG: 1290600 -27.1094 -56.5759 84.5763 -56.5759 40.5149 -17.6696 84.5763 -17.6698 -31.2931 GPRESSAVG: 1290600 -26.8312 -56.6397 83.9373 -55.9175 41.2799 -18.9813 83.5179 -15.3243 -32.034 TIMING: 1290600 CPU: 3883.21, 0.00301217/step Wall: 3883.21, 0.00301217/step, 3.1037 hours remaining, 208.015625 MB of memory in use. ENERGY: 1290600 719.8573 2078.6924 1933.2853 120.0818 -206638.6119 17827.5615 0.0000 0.0000 34380.5904 -149578.5433 300.2542 -183959.1337 -149471.0871 298.7753 -33.2904 2.1715 556081.2491 -5.9625 -5.8618 PRESSURE: 1290800 -176.212 -178.906 159.651 -178.906 -177.73 -62.5358 159.651 -62.537 -226.97 GPRESSURE: 1290800 -143.292 -160.286 114.491 -219.63 -153.944 -26.6059 224.661 -103.83 -176.287 PRESSAVG: 1290800 -40.4761 -34.2493 -5.54103 -34.2494 54.8432 0.427621 -5.54106 0.427511 -18.4071 GPRESSAVG: 1290800 -40.3341 -34.0199 -5.46112 -37.7819 54.7041 -2.32196 -3.6199 1.41722 -18.3933 TIMING: 1290800 CPU: 3883.82, 0.00301995/step Wall: 3883.82, 0.00301995/step, 3.11155 hours remaining, 208.015625 MB of memory in use. ENERGY: 1290800 780.0347 2102.3442 1954.4501 112.2500 -206212.7022 17524.8733 0.0000 0.0000 34283.6670 -149455.0829 299.4078 -183738.7499 -149360.1722 298.4883 -193.6375 -157.8411 556838.1239 -1.3466 -1.3411 PRESSURE: 1291000 -99.9879 -97.6101 -154.936 -97.6096 -106.555 -46.7465 -154.935 -46.7458 149.967 GPRESSURE: 1291000 -8.66768 -22.6206 -118.949 -160.308 -84.9419 -98.7434 -114.735 -0.738971 123.852 PRESSAVG: 1291000 -14.4504 11.0939 53.2871 11.0939 25.489 -27.0095 53.2871 -27.0094 30.9439 GPRESSAVG: 1291000 -14.5964 11.1236 53.224 14.8851 25.0884 -27.4975 52.0233 -28.1063 31.293 TIMING: 1291000 CPU: 3884.42, 0.00301985/step Wall: 3884.42, 0.00301985/step, 3.11129 hours remaining, 208.015625 MB of memory in use. ENERGY: 1291000 726.3677 2090.6509 1914.8310 108.2131 -206269.8178 17762.6844 0.0000 0.0000 34301.1652 -149365.9055 299.5606 -183667.0707 -149272.0136 298.8549 -18.8585 10.0809 558319.0837 13.9941 13.9283 PRESSURE: 1291200 158.269 -99.3711 -51.8796 -99.372 18.4618 -100.85 -51.8797 -100.849 47.0384 GPRESSURE: 1291200 185.945 -52.7368 -41.5164 -67.3633 64.0274 -16.6679 -34.7895 -187.932 63.3775 PRESSAVG: 1291200 30.6997 -27.3814 10.5148 -27.3814 -7.02839 -60.9133 10.5148 -60.9133 -18.0919 GPRESSAVG: 1291200 30.1642 -27.7741 11.5063 -27.7237 -6.2793 -58.4547 10.3957 -62.7024 -17.8732 TIMING: 1291200 CPU: 3885.02, 0.00298709/step Wall: 3885.02, 0.00298709/step, 3.07737 hours remaining, 208.015625 MB of memory in use. ENERGY: 1291200 705.1136 2086.3146 1913.1115 121.5297 -206139.4917 17688.3548 0.0000 0.0000 34393.9706 -149231.0968 300.3711 -183625.0674 -149143.1950 299.7554 74.5896 104.4500 556709.2291 1.8598 2.0039 PRESSURE: 1291400 -37.6672 23.3226 -179.733 23.3226 -216.574 -10.1256 -179.734 -10.1258 -263.51 GPRESSURE: 1291400 -14.275 21.3301 -133.761 -64.8841 -163.668 41.4649 -208.82 -1.58694 -237.602 PRESSAVG: 1291400 -0.565691 14.0119 -25.7727 14.0119 50.1128 -20.3184 -25.7727 -20.3183 -53.1069 GPRESSAVG: 1291400 0.41114 13.1002 -26.1558 14.6044 50.2738 -19.7913 -24.3554 -20.1658 -54.3328 TIMING: 1291400 CPU: 3885.62, 0.00302736/step Wall: 3885.62, 0.00302736/step, 3.11869 hours remaining, 208.015625 MB of memory in use. ENERGY: 1291400 746.8405 2072.4986 1913.3403 104.6891 -205965.5012 17692.3513 0.0000 0.0000 34182.8855 -149252.8960 298.5276 -183435.7816 -149161.8574 299.9167 -172.5837 -138.5150 557712.7242 -1.1866 -1.2160 PRESSURE: 1291600 -204.927 -110.406 -69.595 -110.407 -346.871 42.8789 -69.5959 42.8789 50.6149 GPRESSURE: 1291600 -131.077 -83.055 -74.6822 -142.036 -245.827 -3.99842 -19.9455 30.1457 -43.5991 PRESSAVG: 1291600 -26.1109 -9.96913 36.1488 -9.96906 39.1374 -17.7121 36.1489 -17.712 12.0426 GPRESSAVG: 1291600 -26.4084 -11.1423 35.763 -9.91558 38.4728 -20.6553 35.2032 -16.6645 12.3675 TIMING: 1291600 CPU: 3886.22, 0.00300784/step Wall: 3886.22, 0.00300784/step, 3.09841 hours remaining, 208.015625 MB of memory in use. ENERGY: 1291600 788.0305 2056.6618 1927.6736 103.9464 -205902.8506 17444.3121 0.0000 0.0000 34224.6728 -149357.5534 298.8926 -183582.2262 -149266.4876 298.9887 -167.0609 -140.1675 556846.9250 8.3564 8.1440 PRESSURE: 1291800 -171.484 150.711 -4.20887 150.711 -98.0875 -3.16769 -4.20999 -3.16948 -219.545 GPRESSURE: 1291800 -194.141 76.7935 -60.0842 255.624 -104.427 -15.7362 41.2397 -38.8461 -96.1664 PRESSAVG: 1291800 14.8018 5.71803 -30.4491 5.71806 30.0675 -29.5441 -30.4491 -29.5442 -35.024 GPRESSAVG: 1291800 14.3312 6.72832 -30.5692 6.92858 30.8042 -26.3712 -30.5592 -31.7648 -34.9284 TIMING: 1291800 CPU: 3886.82, 0.00298702/step Wall: 3886.82, 0.00298702/step, 3.07679 hours remaining, 208.015625 MB of memory in use. ENERGY: 1291800 814.4983 2095.0174 1929.4108 101.3093 -205782.2320 17463.9223 0.0000 0.0000 34272.7128 -149105.3611 299.3121 -183378.0739 -149007.0975 299.4744 -163.0390 -131.5783 558258.6462 3.2818 3.4023 PRESSURE: 1292000 113.859 74.7867 -48.582 74.787 32.9473 63.6336 -48.5819 63.6351 -112.385 GPRESSURE: 1292000 169.297 126.123 4.94357 37.0861 1.85556 -76.3374 -49.4821 97.1582 -43.1192 PRESSAVG: 1292000 -31.7338 0.634492 -52.8118 0.634536 13.0663 -34.4507 -52.8118 -34.4508 33.3252 GPRESSAVG: 1292000 -32.4487 0.524093 -51.8993 -1.61338 13.2906 -35.9464 -53.4131 -34.5926 34.2162 TIMING: 1292000 CPU: 3887.43, 0.00303304/step Wall: 3887.43, 0.00303304/step, 3.12404 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: 1292000 721.3377 2119.2933 1930.0177 111.8673 -206314.6264 17983.9247 0.0000 0.0000 34357.6266 -149090.5591 300.0537 -183448.1857 -148985.6492 300.3081 11.4739 42.6778 557926.5909 4.8859 5.0194 PRESSURE: 1292200 -320.429 -72.0596 -29.5891 -72.0598 40.7276 4.21156 -29.5887 4.21249 270.387 GPRESSURE: 1292200 -303.312 -77.724 43.6052 -60.29 82.5767 6.81715 -16.0151 -17.3823 304.178 PRESSAVG: 1292200 -36.2923 -14.4224 -32.0722 -14.4223 26.2967 -5.09547 -32.0722 -5.09545 10.6511 GPRESSAVG: 1292200 -35.6903 -13.6547 -32.5293 -14.0004 25.1586 -4.87036 -29.6596 -2.99832 10.8626 TIMING: 1292200 CPU: 3888.03, 0.00299561/step Wall: 3888.03, 0.00299561/step, 3.08531 hours remaining, 208.015625 MB of memory in use. ENERGY: 1292200 760.0956 2090.3615 1910.4062 116.7506 -206078.9873 17863.5613 0.0000 0.0000 34222.9965 -149114.8155 298.8779 -183337.8120 -149025.1079 299.5494 -3.1050 27.8142 558366.8826 0.2185 0.1103 LDB: ============= START OF LOAD BALANCING ============== 3891.55 LDB: ============== END OF LOAD BALANCING =============== 3891.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3891.55 LDB: ============= START OF LOAD BALANCING ============== 3891.85 LDB: Largest compute 4800 load 0.027286 is 23.1% of average load 0.117924 LDB: Average compute 0.001759 is 1.5% of average load 0.117924 LDB: TIME 3891.85 LOAD: AVG 0.117924 MAX 0.212309 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.07 MB LDB: TIME 3891.85 LOAD: AVG 0.117924 MAX 0.212309 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.273 MB LDB: TIME 3891.85 LOAD: AVG 0.117924 MAX 0.212309 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.273 MB LDB: ============== END OF LOAD BALANCING =============== 3891.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3891.86 PRESSURE: 1292400 -100.655 -140.775 -7.38338 -140.775 170.28 25.4002 -7.38537 25.4004 282.313 GPRESSURE: 1292400 -57.883 -107.964 63.4 -92.3271 234.229 36.2995 15.4023 40.7538 272.247 PRESSAVG: 1292400 -14.022 -23.9467 -11.3806 -23.9467 -31.6219 -3.36585 -11.3807 -3.36576 53.5203 GPRESSAVG: 1292400 -14.1592 -24.9703 -11.8889 -22.6127 -30.9806 -4.35912 -13.3393 -2.67892 54.0347 TIMING: 1292400 CPU: 3888.64, 0.00307348/step Wall: 3888.64, 0.00307348/step, 3.16534 hours remaining, 206.531250 MB of memory in use. ENERGY: 1292400 757.9519 2075.2534 1947.2650 108.4182 -206012.2613 17885.9010 0.0000 0.0000 34126.6628 -149110.8090 298.0366 -183237.4718 -149018.4357 299.1745 117.3127 149.5311 557510.9445 2.6255 2.9650 PRESSURE: 1292600 127.229 -73.5288 127.449 -73.5299 -30.8341 89.3241 127.448 89.3226 141.849 GPRESSURE: 1292600 187.679 2.58873 33.494 -132.572 52.7372 100.051 187.677 118.903 87.151 PRESSAVG: 1292600 -53.96 -53.9677 -39.9113 -53.9677 -15.9572 46.4864 -39.9112 46.4864 44.9303 GPRESSAVG: 1292600 -53.7988 -51.6768 -39.3129 -56.0401 -15.6182 45.4035 -38.9592 46.4774 44.0273 TIMING: 1292600 CPU: 3889.24, 0.00299851/step Wall: 3889.24, 0.00299851/step, 3.08796 hours remaining, 206.531250 MB of memory in use. ENERGY: 1292600 739.5586 2111.7480 1933.2782 111.2650 -206167.7537 17907.3749 0.0000 0.0000 34198.7184 -149165.8107 298.6659 -183364.5291 -149067.3736 299.1773 79.4146 109.1890 558097.1243 -8.3290 -8.4632 PRESSURE: 1292800 -255.239 -89.9465 -48.9088 -89.9473 191.707 -78.2479 -48.9095 -78.248 -141.216 GPRESSURE: 1292800 -188.851 -32.4588 -112.956 -61.8667 228.949 -41.8038 -19.9632 -57.2978 -138.326 PRESSAVG: 1292800 22.6982 -54.3578 26.1269 -54.3578 40.6708 -54.0133 26.127 -54.0134 -29.35 GPRESSAVG: 1292800 22.7963 -54.8677 26.1789 -53.1144 40.9031 -51.939 27.0293 -54.2163 -29.7767 TIMING: 1292800 CPU: 3889.84, 0.00299413/step Wall: 3889.84, 0.00299413/step, 3.08329 hours remaining, 206.531250 MB of memory in use. ENERGY: 1292800 771.0847 2111.9139 1921.1978 107.6183 -206440.9579 17926.7118 0.0000 0.0000 34525.9826 -149076.4489 301.5240 -183602.4315 -148982.7772 299.5827 -68.2492 -32.7428 558824.5957 11.3397 11.3076 PRESSURE: 1293000 -115.628 157.269 41.6294 157.268 174.786 -0.890774 41.6291 -0.890829 6.85257 GPRESSURE: 1293000 -12.2649 51.3839 133.244 231.799 103.483 -74.6692 -50.025 26.9439 56.8842 PRESSAVG: 1293000 11.0203 9.70097 -1.2382 9.70103 10.0198 -20.8276 -1.23825 -20.8277 -8.59811 GPRESSAVG: 1293000 11.1806 8.64967 -1.10635 9.6265 10.4032 -21.2228 -3.15314 -19.2493 -9.2869 TIMING: 1293000 CPU: 3890.44, 0.00299683/step Wall: 3890.44, 0.00299683/step, 3.0859 hours remaining, 206.531250 MB of memory in use. ENERGY: 1293000 717.9135 2033.7729 1931.5885 115.2440 -206140.7433 17871.4979 0.0000 0.0000 34294.6978 -149176.0287 299.5041 -183470.7265 -149080.0904 299.4476 22.0033 49.3675 557988.0802 4.1473 4.0990 PRESSURE: 1293200 -34.8784 64.1215 -101.05 64.1212 310.915 -125.131 -101.049 -125.133 109.903 GPRESSURE: 1293200 14.1879 50.7141 -99.9533 100.725 347.641 -106.605 -91.1164 -92.6105 116.261 PRESSAVG: 1293200 -40.6572 -53.8079 -16.3569 -53.8078 12.3223 -49.7335 -16.3569 -49.7336 23.8984 GPRESSAVG: 1293200 -41.1885 -52.7259 -19.1907 -54.7445 11.6728 -51.9395 -14.8781 -49.9041 25.2785 TIMING: 1293200 CPU: 3891.04, 0.00299411/step Wall: 3891.04, 0.00299411/step, 3.08294 hours remaining, 206.531250 MB of memory in use. ENERGY: 1293200 764.5432 2041.1278 1910.1707 117.7412 -206374.9966 17934.6735 0.0000 0.0000 34209.4152 -149397.3250 298.7593 -183606.7402 -149303.1088 298.9038 128.6468 159.3636 557365.0247 -1.4788 -1.4124 PRESSURE: 1293400 72.0545 -40.5285 103.115 -40.53 313.39 73.7215 103.114 73.7218 300.782 GPRESSURE: 1293400 55.0985 -119.852 98.0326 33.2432 395.421 109.686 153.424 102.491 326.756 PRESSAVG: 1293400 -47.0502 -21.2067 -16.6269 -21.2067 71.018 -5.91574 -16.6268 -5.91554 -51.7332 GPRESSAVG: 1293400 -45.6741 -23.6159 -14.4613 -19.1637 71.1544 -4.85072 -16.6181 -7.80239 -53.4831 TIMING: 1293400 CPU: 3891.64, 0.00298967/step Wall: 3891.64, 0.00298967/step, 3.07819 hours remaining, 206.531250 MB of memory in use. ENERGY: 1293400 739.3863 2073.5278 1919.5023 107.0939 -206685.7485 18221.1651 0.0000 0.0000 34153.7644 -149471.3088 298.2733 -183625.0732 -149381.9872 298.4976 228.7422 259.0916 556367.1545 -9.2551 -9.3343 PRESSURE: 1293600 52.9529 15.6569 80.6961 15.6577 228.059 186.815 80.6965 186.817 -19.2707 GPRESSURE: 1293600 73.7401 -37.2709 93.3916 63.1822 235.82 178.55 157.331 203.788 58.4425 PRESSAVG: 1293600 -114.987 -42.1945 2.23995 -42.1944 74.7051 -9.0045 2.24004 -9.00446 17.5666 GPRESSAVG: 1293600 -116.281 -40.7628 1.28613 -44.4552 74.3817 -9.115 2.69848 -8.59051 19.1315 TIMING: 1293600 CPU: 3892.25, 0.00305566/step Wall: 3892.25, 0.00305566/step, 3.14598 hours remaining, 206.531250 MB of memory in use. ENERGY: 1293600 741.1000 2056.8977 1891.3808 121.0895 -206667.5281 18070.3854 0.0000 0.0000 34206.4831 -149580.1917 298.7337 -183786.6747 -149479.9576 298.1929 87.2472 122.6675 555940.0179 -7.5716 -7.5891 PRESSURE: 1293800 215.162 135.394 4.3304 135.394 134.931 -74.2996 4.33077 -74.3001 -57.2984 GPRESSURE: 1293800 227.637 111.137 61.7699 58.8321 223.776 -68.7527 -11.5012 -87.6701 -63.0554 PRESSAVG: 1293800 9.663 -9.49522 33.8201 -9.49513 -70.4625 50.587 33.8202 50.5869 22.7221 GPRESSAVG: 1293800 10.2676 -9.69872 34.9108 -8.00663 -70.0306 52.2294 32.6415 49.7311 21.3228 TIMING: 1293800 CPU: 3892.85, 0.00300715/step Wall: 3892.85, 0.00300715/step, 3.09586 hours remaining, 206.531250 MB of memory in use. ENERGY: 1293800 723.7158 2070.6367 1909.8799 108.3875 -206874.6567 18103.7522 0.0000 0.0000 34311.6968 -149646.5878 299.6526 -183958.2846 -149550.9930 298.5678 97.5984 129.4524 555743.1797 -12.6925 -12.8134 PRESSURE: 1294000 13.2559 126.742 -100.726 126.743 -92.6342 20.6976 -100.727 20.6999 -133.944 GPRESSURE: 1294000 20.569 122.539 -73.7307 98.401 -60.7853 59.4436 -144.602 55.4447 -68.7442 PRESSAVG: 1294000 55.265 4.46195 17.3043 4.46194 10.4753 -9.7146 17.3043 -9.7145 -29.2572 GPRESSAVG: 1294000 54.7143 4.99816 15.9468 4.9488 9.57552 -11.8695 19.1417 -8.00673 -27.9039 TIMING: 1294000 CPU: 3893.45, 0.00298925/step Wall: 3893.45, 0.00298925/step, 3.07727 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: 1294000 755.6429 2115.1531 1918.6280 115.5127 -206415.3258 17794.2147 0.0000 0.0000 34137.9246 -149578.2497 298.1350 -183716.1743 -149490.8675 298.3340 -71.1073 -36.3202 557117.8587 12.1610 12.1286 PRESSURE: 1294200 -236.971 -19.9067 -76.0037 -19.9067 -248.794 46.628 -76.0045 46.6275 -16.1523 GPRESSURE: 1294200 -178.295 -115.019 -16.8242 -13.5543 -177.044 81.8069 -113.699 132.073 -54.3849 PRESSAVG: 1294200 25.5059 52.2226 -10.5059 52.2226 57.3747 -24.3389 -10.5058 -24.3389 -34.3577 GPRESSAVG: 1294200 24.5923 51.4663 -9.76801 53.4966 58.1486 -23.3102 -11.7151 -24.7216 -34.1657 TIMING: 1294200 CPU: 3894.05, 0.00302557/step Wall: 3894.05, 0.00302557/step, 3.11449 hours remaining, 206.531250 MB of memory in use. ENERGY: 1294200 691.1255 2087.0794 1902.3654 121.0496 -205942.3518 17337.2153 0.0000 0.0000 34199.3592 -149604.1574 298.6715 -183803.5166 -149506.3108 298.2390 -167.3058 -136.5745 555595.8323 16.1743 16.1917 PRESSURE: 1294400 202.331 -17.757 167.532 -17.7567 108.115 -0.459133 167.532 -0.458781 -54.9032 GPRESSURE: 1294400 233.971 7.21989 223.346 5.36774 132.805 -18.3249 154.678 -5.40061 -22.674 PRESSAVG: 1294400 -45.4998 4.00057 44.9068 4.00053 -9.27336 1.06167 44.9069 1.06171 57.6412 GPRESSAVG: 1294400 -45.7348 3.45772 45.9868 2.47011 -9.06416 0.807453 44.8568 -0.625787 57.6162 TIMING: 1294400 CPU: 3894.65, 0.00299801/step Wall: 3894.65, 0.00299801/step, 3.08595 hours remaining, 206.531250 MB of memory in use. ENERGY: 1294400 737.3640 2074.0208 1921.8839 116.8890 -206398.2202 17876.9176 0.0000 0.0000 34055.5133 -149615.6316 297.4153 -183671.1449 -149522.2791 298.5350 85.1807 114.7006 555205.6536 0.9560 0.9391 PRESSURE: 1294600 -90.2944 13.3114 96.228 13.3102 -10.7566 -140.446 96.2279 -140.444 -90.9775 GPRESSURE: 1294600 -20.3055 -10.2331 113.745 73.7557 26.3764 -80.0348 36.2352 -186.576 -101.181 PRESSAVG: 1294600 -22.4464 -8.29716 15.895 -8.29714 37.6617 24.3153 15.895 24.3154 30.7699 GPRESSAVG: 1294600 -22.4815 -7.1441 15.8162 -8.05387 37.6775 24.7822 15.5777 24.4164 30.4377 TIMING: 1294600 CPU: 3895.25, 0.002977/step Wall: 3895.25, 0.002977/step, 3.06416 hours remaining, 206.531250 MB of memory in use. ENERGY: 1294600 738.7608 2065.1416 1898.7535 105.1507 -206410.3431 17765.4811 0.0000 0.0000 34316.0671 -149520.9883 299.6907 -183837.0553 -149423.9525 298.4899 -64.0095 -31.7035 556917.8660 15.3284 15.2112 PRESSURE: 1294800 38.8008 -19.0829 -39.9458 -19.0844 231.45 -60.2917 -39.9443 -60.2908 -11.3441 GPRESSURE: 1294800 69.0388 -48.1904 -31.2872 18.2302 282.236 -88.0327 -60.2882 -14.6204 8.27415 PRESSAVG: 1294800 -27.6915 5.2639 30.9574 5.26399 37.2987 -10.3213 30.9574 -10.3211 -62.4475 GPRESSAVG: 1294800 -26.9377 4.88705 29.6527 5.54434 36.7651 -10.5974 31.3748 -8.30909 -62.8243 TIMING: 1294800 CPU: 3895.84, 0.00297797/step Wall: 3895.84, 0.00297797/step, 3.06499 hours remaining, 206.531250 MB of memory in use. ENERGY: 1294800 731.8650 2085.5785 1946.1188 119.1549 -206343.1586 17948.7591 0.0000 0.0000 34208.9829 -149302.6994 298.7556 -183511.6824 -149209.9302 298.9782 86.3021 119.8495 556806.1312 -17.6134 -17.6656 PRESSURE: 1295000 -195.644 -74.5154 22.6423 -74.5155 -180.848 -63.6918 22.6412 -63.6919 -234.592 GPRESSURE: 1295000 -184.545 -6.72824 3.47464 -114.821 -64.8377 -197.905 22.3725 -16.0941 -269.513 PRESSAVG: 1295000 18.7809 -12.0127 -1.33658 -12.0128 65.0846 -54.6509 -1.33658 -54.6509 2.30227 GPRESSAVG: 1295000 18.8655 -11.4335 -1.58829 -12.3206 65.4709 -55.8538 -1.40068 -56.4045 1.95054 TIMING: 1295000 CPU: 3896.44, 0.00298449/step Wall: 3896.44, 0.00298449/step, 3.07153 hours remaining, 206.531250 MB of memory in use. ENERGY: 1295000 770.8717 2075.1016 1917.2751 102.7995 -205922.3985 17673.4647 0.0000 0.0000 34190.6006 -149192.2853 298.5950 -183382.8858 -149101.4642 298.9826 -203.6948 -172.9653 558012.3658 28.7226 28.7623 PRESSURE: 1295200 268.481 -32.9972 34.7558 -32.997 -207.778 110.592 34.7564 110.593 83.0083 GPRESSURE: 1295200 275.514 22.488 -19.2786 -140.689 -166.175 139.436 111.758 118.162 125.451 PRESSAVG: 1295200 48.4184 5.30082 -20.1949 5.30088 4.50642 -14.5977 -20.1949 -14.5978 -12.7208 GPRESSAVG: 1295200 48.1492 2.84471 -18.6578 5.34932 4.92979 -13.6903 -19.1049 -12.7215 -12.4042 TIMING: 1295200 CPU: 3897.04, 0.0029849/step Wall: 3897.04, 0.0029849/step, 3.07179 hours remaining, 206.531250 MB of memory in use. ENERGY: 1295200 758.1476 2094.1944 1933.9960 114.0143 -205776.7219 17653.0622 0.0000 0.0000 34303.8599 -148919.4476 299.5841 -183223.3075 -148825.0578 299.1045 47.9037 78.2634 557690.8858 13.4013 13.5582 PRESSURE: 1295400 21.4151 -144.865 45.2691 -144.865 -208.548 -166.816 45.2703 -166.816 -182.516 GPRESSURE: 1295400 -1.34266 -116.997 57.5004 -167.813 -204.392 -162.829 -27.811 -111.443 -62.8762 PRESSAVG: 1295400 -2.5739 -39.4977 53.0278 -39.4977 -35.3611 2.49755 53.0277 2.4974 -21.399 GPRESSAVG: 1295400 -2.84525 -37.474 54.523 -42.6046 -35.0156 1.14627 51.521 2.02799 -21.0334 TIMING: 1295400 CPU: 3897.63, 0.00297974/step Wall: 3897.63, 0.00297974/step, 3.06632 hours remaining, 206.531250 MB of memory in use. ENERGY: 1295400 766.9501 2041.3721 1939.7815 113.2575 -205764.0054 17620.8181 0.0000 0.0000 34217.1522 -149064.6738 298.8269 -183281.8260 -148969.9401 299.2838 -123.2166 -89.5370 558621.1820 -19.7780 -19.6314 PRESSURE: 1295600 -253.309 -44.0486 37.1593 -44.0487 -63.0622 -67.3243 37.159 -67.3245 -236.236 GPRESSURE: 1295600 -273.844 -71.0252 -0.699559 -35.4605 -54.9337 -136.382 43.0473 -3.96577 -124.469 PRESSAVG: 1295600 22.4465 -5.63059 12.7294 -5.63064 -25.0655 -8.15643 12.7294 -8.15646 -0.278643 GPRESSAVG: 1295600 22.0063 -5.04561 10.3523 -4.05735 -24.8715 -10.3405 12.9452 -8.85208 -0.108598 TIMING: 1295600 CPU: 3898.23, 0.00299753/step Wall: 3898.23, 0.00299753/step, 3.08446 hours remaining, 206.531250 MB of memory in use. ENERGY: 1295600 751.8444 2087.5141 1910.8608 113.7745 -205601.0100 17587.5161 0.0000 0.0000 34310.5970 -148838.9032 299.6430 -183149.5002 -148741.1803 299.8070 -184.2021 -151.0824 558875.7574 -0.9659 -0.9913 PRESSURE: 1295800 -83.2397 125.195 43.7652 125.195 -110.699 12.4471 43.7651 12.4473 -75.8405 GPRESSURE: 1295800 -46.932 81.0025 -29.42 170.468 -112.499 -18.835 37.1311 25.0598 -17.315 PRESSAVG: 1295800 -17.1673 23.8117 2.90198 23.8117 -52.2683 23.0436 2.90202 23.0435 -14.5628 GPRESSAVG: 1295800 -15.4737 21.9514 3.37234 25.0589 -53.2667 27.0512 3.95034 21.2988 -15.6251 TIMING: 1295800 CPU: 3898.83, 0.00299478/step Wall: 3898.83, 0.00299478/step, 3.08146 hours remaining, 206.531250 MB of memory in use. ENERGY: 1295800 734.1188 2062.5213 1940.2171 120.2990 -205879.7200 17565.7713 0.0000 0.0000 34415.0383 -149041.7541 300.5551 -183456.7924 -148944.6412 300.4466 -89.9262 -58.9154 556773.3346 -27.9995 -28.1218 PRESSURE: 1296000 4.53659 -83.9032 -135.691 -83.9027 -152.326 22.8468 -135.692 22.8476 184.493 GPRESSURE: 1296000 22.8466 -24.9507 -36.191 -153.239 -139.795 -14.6295 -183.965 -20.9834 250.898 PRESSAVG: 1296000 13.3423 -36.8314 28.3763 -36.8314 46.7899 -9.03691 28.3762 -9.03698 -63.4996 GPRESSAVG: 1296000 12.6022 -36.6973 29.0245 -36.3787 47.1557 -11.703 25.7692 -6.44244 -63.964 TIMING: 1296000 CPU: 3899.43, 0.00299318/step Wall: 3899.43, 0.00299318/step, 3.07965 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: 1296000 732.5455 2108.4377 1936.2593 115.6305 -206346.2500 18024.2916 0.0000 0.0000 34353.3276 -149075.7577 300.0162 -183429.0853 -148987.2322 300.1487 12.2347 44.6501 557162.4283 -1.1225 -1.4021 PRESSURE: 1296200 19.1882 146.382 -22.0665 146.383 112.436 239.32 -22.0666 239.32 -232.492 GPRESSURE: 1296200 41.5735 194.97 47.9426 183.983 88.5488 251.979 -21.4995 266.745 -129.802 PRESSAVG: 1296200 -18.2796 30.0892 -30.445 30.0893 2.77071 3.51642 -30.4449 3.51651 62.9784 GPRESSAVG: 1296200 -18.4752 30.5086 -31.1623 27.1153 2.88395 5.47087 -27.6238 2.27315 63.0505 TIMING: 1296200 CPU: 3900.03, 0.00298145/step Wall: 3900.03, 0.00298145/step, 3.06741 hours remaining, 206.531250 MB of memory in use. ENERGY: 1296200 745.5743 2111.2923 1935.4169 113.7947 -206213.7015 17774.0368 0.0000 0.0000 34479.0125 -149054.5739 301.1138 -183533.5864 -148958.9544 300.1979 -33.6226 0.1069 556290.9139 15.8232 15.8198 LDB: ============= START OF LOAD BALANCING ============== 3903.54 LDB: ============== END OF LOAD BALANCING =============== 3903.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3903.54 LDB: ============= START OF LOAD BALANCING ============== 3903.84 LDB: Largest compute 4800 load 0.027721 is 23.5% of average load 0.117919 LDB: Average compute 0.001751 is 1.5% of average load 0.117919 LDB: TIME 3903.85 LOAD: AVG 0.117919 MAX 0.211044 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.844 MB LDB: TIME 3903.85 LOAD: AVG 0.117919 MAX 0.211044 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.047 MB LDB: TIME 3903.85 LOAD: AVG 0.117919 MAX 0.211044 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.047 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3903.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3903.85 PRESSURE: 1296400 -374.201 -37.0421 -206.878 -37.0435 11.2489 198.531 -206.877 198.53 -234.439 GPRESSURE: 1296400 -368.103 -142.607 -230.402 -31.7414 63.0534 269.375 -166.84 81.4841 -199.099 PRESSAVG: 1296400 -10.0767 -29.0498 8.27476 -29.0498 -34.5207 -17.3536 8.27489 -17.3536 44.9017 GPRESSAVG: 1296400 -10.6397 -28.8859 7.48514 -26.185 -33.9474 -16.2235 6.64951 -17.2546 44.8752 TIMING: 1296400 CPU: 3900.64, 0.0030528/step Wall: 3900.64, 0.0030528/step, 3.14065 hours remaining, 207.300781 MB of memory in use. ENERGY: 1296400 763.7246 2142.7542 1937.2542 115.6446 -205709.6906 17495.9291 0.0000 0.0000 34208.4386 -149045.9454 298.7508 -183254.3840 -148948.6346 300.1263 -199.1306 -168.0494 557326.3478 0.1014 0.0960 PRESSURE: 1296600 -367.028 -24.8794 10.7144 -24.8792 -190.907 26.3927 10.7153 26.3938 -223.21 GPRESSURE: 1296600 -316.804 -48.3787 26.3026 -43.9519 -153.1 20.1899 7.70163 -21.3034 -201.627 PRESSAVG: 1296600 -21.3853 -48.4178 34.5455 -48.4179 -62.2093 61.5163 34.5454 61.5163 80.0573 GPRESSAVG: 1296600 -20.9102 -50.0865 34.8253 -48.8358 -63.1205 59.7207 37.0934 60.7467 80.7604 TIMING: 1296600 CPU: 3901.24, 0.00302281/step Wall: 3901.24, 0.00302281/step, 3.10963 hours remaining, 207.371094 MB of memory in use. ENERGY: 1296600 771.1271 2069.0506 1959.9518 105.1975 -205780.8618 17402.5706 0.0000 0.0000 34242.5490 -149230.4152 299.0487 -183472.9642 -149135.3348 300.0430 -260.3818 -223.8439 557606.6537 -1.1791 -1.0901 PRESSURE: 1296800 106.766 124.919 -172.655 124.919 -109.687 35.8874 -172.655 35.8895 60.14 GPRESSURE: 1296800 158.712 44.0506 -189.073 160.426 -56.5424 119.734 -170.765 48.7547 56.5688 PRESSAVG: 1296800 -33.2334 -3.39231 -8.56866 -3.39222 -4.88318 16.2376 -8.56863 16.2375 20.7442 GPRESSAVG: 1296800 -32.7295 -1.67982 -6.93987 -3.7956 -5.03607 15.6114 -11.2684 19.5595 20.6586 TIMING: 1296800 CPU: 3901.84, 0.00300805/step Wall: 3901.84, 0.00300805/step, 3.09428 hours remaining, 207.371094 MB of memory in use. ENERGY: 1296800 775.0142 2121.7066 1958.8036 120.4137 -206342.8525 17950.0815 0.0000 0.0000 34122.4433 -149294.3897 297.9998 -183416.8330 -149194.5771 300.2822 19.0729 52.9129 556521.7943 -5.7908 -5.7023 PRESSURE: 1297000 249.343 1.33005 137.648 1.33023 -65.7255 -30.1006 137.649 -30.101 108.965 GPRESSURE: 1297000 280.9 10.5139 60.0467 -54.5023 -68.5809 39.89 96.4244 -92.2737 183.952 PRESSAVG: 1297000 -15.8304 8.81613 10.9663 8.81617 13.9574 -4.45065 10.9663 -4.45063 -21.0518 GPRESSAVG: 1297000 -16.8584 11.062 9.56652 6.82421 14.7116 -3.20888 12.6817 -7.15846 -21.0037 TIMING: 1297000 CPU: 3902.45, 0.00304894/step Wall: 3902.45, 0.00304894/step, 3.13617 hours remaining, 207.371094 MB of memory in use. ENERGY: 1297000 734.8282 2062.9506 1939.3484 127.4231 -206406.6785 18080.5043 0.0000 0.0000 34371.3991 -149090.2248 300.1740 -183461.6239 -148994.9924 299.3442 97.5274 132.0901 558128.5895 -7.6416 -7.7168 PRESSURE: 1297200 -37.7374 3.8435 29.9962 3.8425 60.749 24.5609 29.9981 24.5613 73.6352 GPRESSURE: 1297200 37.3463 44.9727 92.4804 -55.2954 58.419 -42.6747 24.4058 100.255 103.576 PRESSAVG: 1297200 -80.6467 -58.1861 8.51151 -58.1861 22.3203 7.81656 8.51151 7.81657 13.2388 GPRESSAVG: 1297200 -79.3279 -60.4534 9.14528 -54.5373 22.5107 6.73164 8.01232 9.15171 11.925 TIMING: 1297200 CPU: 3903.05, 0.00298536/step Wall: 3903.05, 0.00298536/step, 3.07061 hours remaining, 207.371094 MB of memory in use. ENERGY: 1297200 793.8041 2126.0038 1934.5130 109.9683 -206096.3972 17808.2741 0.0000 0.0000 34217.8741 -149105.9599 298.8332 -183323.8339 -149021.8305 299.5517 32.2156 66.4472 557160.2590 -15.0292 -14.9641 PRESSURE: 1297400 -114.874 109.744 -25.1869 109.744 270.417 19.3318 -25.1879 19.3323 130.569 GPRESSURE: 1297400 -73.259 76.7379 -117.207 113.669 233.976 135.045 -12.6508 -37.6218 218.978 PRESSAVG: 1297400 -40.6858 40.4924 15.0632 40.4923 39.3179 -24.6883 15.0633 -24.6882 -27.1454 GPRESSAVG: 1297400 -42.076 40.2411 13.0312 39.5253 39.3226 -24.4553 15.606 -25.4419 -25.8049 TIMING: 1297400 CPU: 3903.65, 0.00301865/step Wall: 3903.65, 0.00301865/step, 3.10468 hours remaining, 207.371094 MB of memory in use. ENERGY: 1297400 769.8266 2083.1500 1961.8338 109.4165 -206240.5024 17979.2299 0.0000 0.0000 34180.6508 -149156.3949 298.5081 -183337.0457 -149059.4043 299.3608 95.3705 126.5652 557957.2912 -9.5044 -9.5194 PRESSURE: 1297600 -79.9404 142.057 59.7831 142.058 6.95797 -7.20986 59.7836 -7.20852 23.5634 GPRESSURE: 1297600 -98.8799 128.255 32.5823 52.1167 101.973 -82.6011 105.663 22.6298 38.5214 PRESSAVG: 1297600 -58.9444 24.1481 -40.3051 24.1482 29.8029 -55.7767 -40.305 -55.7767 41.065 GPRESSAVG: 1297600 -58.2202 24.9665 -39.9669 21.8738 30.7577 -55.6193 -40.6404 -55.0796 39.7607 TIMING: 1297600 CPU: 3904.25, 0.00300158/step Wall: 3904.25, 0.00300158/step, 3.08696 hours remaining, 207.371094 MB of memory in use. ENERGY: 1297600 737.8283 2043.8044 1917.9192 110.1072 -206299.8876 17913.9461 0.0000 0.0000 34305.2954 -149270.9871 299.5967 -183576.2825 -149169.6437 299.0157 -16.4730 13.8713 559430.9257 3.9745 4.0994 PRESSURE: 1297800 24.636 -112.123 171.397 -112.123 -109.509 44.2969 171.397 44.2984 153.106 GPRESSURE: 1297800 99.4851 -161.919 217.968 -68.8535 -50.2097 -93.0448 188.617 129.379 127.598 PRESSAVG: 1297800 -39.7944 29.1878 35.0981 29.1879 92.0033 55.4514 35.098 55.4515 -9.35561 GPRESSAVG: 1297800 -39.2531 28.0479 35.154 29.3842 90.1541 54.9963 35.4191 54.6363 -8.18403 TIMING: 1297800 CPU: 3904.86, 0.00301033/step Wall: 3904.86, 0.00301033/step, 3.09579 hours remaining, 207.371094 MB of memory in use. ENERGY: 1297800 738.4796 2124.2981 1946.2559 106.5326 -206503.0659 17928.8423 0.0000 0.0000 34391.2921 -149267.3653 300.3477 -183658.6574 -149172.7149 299.5686 22.7442 58.9577 557565.5835 14.2844 14.2390 PRESSURE: 1298000 -94.8809 45.2034 -103.469 45.2021 60.7985 -100.333 -103.47 -100.334 -80.6492 GPRESSURE: 1298000 -62.4242 35.6585 -69.9577 12.6292 86.8147 -91.4115 -122.9 -76.0108 -58.044 PRESSAVG: 1298000 -10.6458 -29.9572 48.2581 -29.9571 -29.1007 -78.5643 48.2581 -78.5642 25.167 GPRESSAVG: 1298000 -11.0657 -31.2681 48.9589 -29.607 -27.493 -77.9888 50.4586 -78.9228 23.7168 TIMING: 1298000 CPU: 3905.46, 0.00300777/step Wall: 3905.46, 0.00300777/step, 3.09299 hours remaining, 207.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1298000 751.1476 2095.1980 1955.8170 122.9978 -205985.4551 17663.5319 0.0000 0.0000 34280.2244 -149116.5384 299.3777 -183396.7628 -149021.2549 299.6934 -38.2438 -11.2178 557611.9320 -4.8599 -4.9473 PRESSURE: 1298200 -15.5756 -179.465 -123.894 -179.465 -67.2182 254.88 -123.893 254.881 -34.8167 GPRESSURE: 1298200 24.6035 -101.397 -107.678 -123.584 -67.1687 299.82 -192.014 261.279 24.2451 PRESSAVG: 1298200 -116.514 -16.7293 24.9612 -16.7293 10.0495 8.09025 24.9612 8.09035 85.4361 GPRESSAVG: 1298200 -117.784 -14.843 24.6859 -15.0832 9.60532 9.45902 23.0757 6.32848 86.8701 TIMING: 1298200 CPU: 3906.06, 0.00299687/step Wall: 3906.06, 0.00299687/step, 3.08162 hours remaining, 207.371094 MB of memory in use. ENERGY: 1298200 766.5570 2083.2151 1951.9155 115.2963 -206113.3030 17767.6143 0.0000 0.0000 34386.8883 -149041.8164 300.3092 -183428.7048 -148943.9094 299.4817 -39.2035 -6.1067 558798.8136 -7.0095 -7.1029 PRESSURE: 1298400 -133.425 -119.637 111.302 -119.637 272.475 -46.4995 111.301 -46.4995 -277.647 GPRESSURE: 1298400 -84.2774 -103.376 200.197 -170.256 301.189 -99.587 38.9331 -38.3915 -263.234 PRESSAVG: 1298400 -5.62409 -25.0251 57.5662 -25.0251 27.1929 3.74051 57.5663 3.74044 -0.830154 GPRESSAVG: 1298400 -5.39297 -23.7004 57.4392 -24.6741 28.2101 1.43038 57.6359 5.08094 -2.33577 TIMING: 1298400 CPU: 3906.65, 0.00298705/step Wall: 3906.65, 0.00298705/step, 3.07135 hours remaining, 207.371094 MB of memory in use. ENERGY: 1298400 769.3712 2078.8810 1924.1002 121.9667 -206050.2415 17740.8814 0.0000 0.0000 34471.6160 -148943.4250 301.0492 -183415.0409 -148842.1608 300.3281 -46.1990 -15.4407 558062.3612 6.9129 6.8271 PRESSURE: 1298600 -68.8174 -15.8183 45.8722 -15.819 -108.14 0.651436 45.8723 0.650497 -56.4395 GPRESSURE: 1298600 -85.8439 4.30168 137.704 -72.3637 -36.4098 -23.6645 87.5985 29.2899 -25.3526 PRESSAVG: 1298600 -8.55962 -5.02538 12.712 -5.02539 -10.3122 -22.7573 12.712 -22.7573 2.0058 GPRESSAVG: 1298600 -8.10773 -5.46707 14.5421 -6.82575 -10.815 -21.0154 13.562 -22.752 1.56007 TIMING: 1298600 CPU: 3907.26, 0.00301732/step Wall: 3907.26, 0.00301732/step, 3.10231 hours remaining, 207.371094 MB of memory in use. ENERGY: 1298600 756.0230 2159.0404 1912.8398 118.9988 -206136.5837 17799.3580 0.0000 0.0000 34387.8526 -149002.4711 300.3177 -183390.3238 -148903.9220 299.7863 -77.7991 -49.2021 559066.3271 -5.6220 -5.7875 PRESSURE: 1298800 91.7514 140.755 -46.1243 140.755 177.09 -33.3233 -46.1242 -33.3233 85.0181 GPRESSURE: 1298800 138.834 134.328 -132.88 60.3678 163.771 -84.9076 30.8621 -31.928 138.856 PRESSAVG: 1298800 -24.4286 43.9205 38.1099 43.9205 -0.208604 9.35815 38.1099 9.35823 27.1159 GPRESSAVG: 1298800 -23.9556 44.5832 36.0077 42.2743 -2.3981 7.38713 37.086 10.0628 28.933 TIMING: 1298800 CPU: 3907.86, 0.00299643/step Wall: 3907.86, 0.00299643/step, 3.08066 hours remaining, 207.371094 MB of memory in use. ENERGY: 1298800 761.1659 2140.5770 1930.9557 124.4131 -206242.2376 17968.8690 0.0000 0.0000 34341.9436 -148974.3133 299.9167 -183316.2569 -148879.1630 300.3847 117.9533 147.1534 557311.8739 0.8262 0.8598 PRESSURE: 1299000 -19.1709 -3.55575 -43.8979 -3.55508 175.873 167.839 -43.8981 167.837 -180.511 GPRESSURE: 1299000 75.4428 -53.0821 -107.032 4.08907 199.987 171.103 -81.3993 138.911 -220.871 PRESSAVG: 1299000 -8.93424 -12.118 -43.9755 -12.118 36.0177 -25.3031 -43.9754 -25.3031 -16.8775 GPRESSAVG: 1299000 -9.69297 -12.7129 -42.938 -8.49144 38.2615 -23.8962 -43.8199 -27.4726 -17.5535 TIMING: 1299000 CPU: 3908.47, 0.00303731/step Wall: 3908.47, 0.00303731/step, 3.12253 hours remaining, 207.371094 MB of memory in use. ENERGY: 1299000 742.9593 2062.9908 1927.4030 110.8360 -206295.4709 17905.6709 0.0000 0.0000 34400.6136 -149144.9973 300.4291 -183545.6109 -149048.9306 299.9840 -7.9364 18.1860 557851.6194 3.4020 3.6717 PRESSURE: 1299200 -11.3237 -195.198 179.413 -195.198 -138.893 -10.5207 179.412 -10.5194 -153.304 GPRESSURE: 1299200 37.4007 -210.003 216.307 -194.458 -138.975 72.7605 154.741 0.443928 -94.3436 PRESSAVG: 1299200 21.2929 -40.8205 -29.5566 -40.8205 30.653 71.1383 -29.5567 71.1385 -48.5312 GPRESSAVG: 1299200 23.2048 -40.2755 -29.5877 -43.3678 30.2551 70.676 -30.3266 73.2442 -49.7594 TIMING: 1299200 CPU: 3909.07, 0.00302612/step Wall: 3909.07, 0.00302612/step, 3.11085 hours remaining, 207.371094 MB of memory in use. ENERGY: 1299200 748.5788 2113.8157 1948.8106 112.6943 -206044.4413 17598.7206 0.0000 0.0000 34273.2147 -149248.6066 299.3165 -183521.8213 -149149.9980 299.5622 -101.1736 -65.3060 556990.8026 1.1382 1.2335 PRESSURE: 1299400 17.3949 -39.7032 -42.6227 -39.7033 -42.0778 -121.781 -42.6223 -121.781 64.9029 GPRESSURE: 1299400 54.1165 4.01973 -99.3812 29.8842 -18.3208 -44.8851 -52.8724 -150.762 108.609 PRESSAVG: 1299400 6.5393 -13.9092 -17.4092 -13.909 37.7 -14.2421 -17.4091 -14.2421 -39.6904 GPRESSAVG: 1299400 5.23061 -15.3896 -16.7808 -13.8346 38.3106 -12.4612 -15.993 -16.2834 -39.4455 TIMING: 1299400 CPU: 3909.67, 0.00301744/step Wall: 3909.67, 0.00301744/step, 3.10176 hours remaining, 207.371094 MB of memory in use. ENERGY: 1299400 773.0025 2130.1757 1945.2815 103.0694 -206261.0717 17784.6614 0.0000 0.0000 34443.4566 -149081.4245 300.8033 -183524.8811 -148980.6162 299.7025 13.4067 48.1348 557551.9396 1.5163 1.3652 PRESSURE: 1299600 59.8381 41.7168 -78.869 41.7164 -28.468 -152.057 -78.8685 -152.059 -154.418 GPRESSURE: 1299600 40.3601 -13.5309 -106.688 20.4977 46.073 -173.956 -36.2555 -104.792 -110.741 PRESSAVG: 1299600 17.4062 -30.1069 -32.7659 -30.1069 6.764 15.8882 -32.7659 15.8881 -45.8205 GPRESSAVG: 1299600 17.3263 -30.242 -33.3967 -28.8854 6.9836 14.0006 -33.8982 17.8068 -45.3073 TIMING: 1299600 CPU: 3910.27, 0.00300132/step Wall: 3910.27, 0.00300132/step, 3.08502 hours remaining, 207.371094 MB of memory in use. ENERGY: 1299600 740.4034 2100.6169 1927.0448 122.8228 -205973.4260 17684.1169 0.0000 0.0000 34333.7240 -149064.6971 299.8450 -183398.4212 -148966.4631 299.5605 -41.0160 -8.1028 558201.4074 -7.2168 -6.9992 PRESSURE: 1299800 -16.8716 46.3737 80.4833 46.3751 -94.2487 -98.7005 80.4825 -98.7004 -16.5652 GPRESSURE: 1299800 64.6835 71.5573 30.0818 86.7711 -73.4657 -29.1981 145.091 -166.557 -26.0167 PRESSAVG: 1299800 -39.1521 42.6204 -31.4439 42.6203 107.632 -60.4953 -31.4439 -60.4955 -26.7559 GPRESSAVG: 1299800 -38.2466 44.4634 -31.4616 41.1512 106.35 -59.2583 -31.851 -62.7202 -26.4485 TIMING: 1299800 CPU: 3910.88, 0.00300566/step Wall: 3910.88, 0.00300566/step, 3.08931 hours remaining, 207.371094 MB of memory in use. ENERGY: 1299800 786.7774 2097.4007 1924.0160 109.1156 -206118.0404 17786.7392 0.0000 0.0000 34098.1041 -149315.8874 297.7872 -183413.9915 -149220.0273 298.9060 -42.5618 -11.5996 557305.9412 13.9078 13.8850 PRESSURE: 1300000 63.7602 -224.492 103.252 -224.491 -377.205 -31.3488 103.251 -31.3484 -96.037 GPRESSURE: 1300000 38.9011 -191.029 136.455 -196.013 -321.504 -79.2668 39.8913 -144.159 -33.7407 PRESSAVG: 1300000 2.68872 2.72125 42.8439 2.72125 -24.3543 12.6923 42.8439 12.6922 24.7609 GPRESSAVG: 1300000 1.86812 3.5159 42.4462 3.44964 -23.971 12.3508 43.2289 12.5063 24.3144 TIMING: 1300000 CPU: 3911.47, 0.00298894/step Wall: 3911.47, 0.00298894/step, 3.07196 hours remaining, 207.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1300000 741.4873 2134.9480 1910.3434 114.5923 -206175.9368 17576.6603 0.0000 0.0000 34389.2810 -149308.6246 300.3301 -183697.9057 -149215.0561 298.7710 -136.4940 -105.4480 556964.4541 1.0318 0.7372 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1300000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 1300000 WRITING COORDINATES TO RESTART FILE AT STEP 1300000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1300000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1300200 -72.3562 66.2908 88.8465 66.291 -189.231 16.1942 88.8463 16.1954 -151.287 GPRESSURE: 1300200 -46.4097 -13.3189 74.2304 41.6516 -128.281 32.5709 110.629 43.0323 -139.653 PRESSAVG: 1300200 77.9111 -6.38463 54.5485 -6.38459 20.7034 -21.8401 54.5485 -21.84 -46.5425 GPRESSAVG: 1300200 78.2041 -7.43644 53.4253 -4.77836 20.5934 -21.5684 55.4765 -20.4857 -46.0619 TIMING: 1300200 CPU: 3912.09, 0.00307487/step Wall: 3912.09, 0.00307487/step, 3.16011 hours remaining, 207.371094 MB of memory in use. ENERGY: 1300200 753.0598 2091.3618 1911.2847 117.3803 -206252.7147 17569.5909 0.0000 0.0000 34524.6640 -149285.3733 301.5125 -183810.0372 -149177.7294 299.2411 -137.6246 -104.7812 556521.9291 17.3573 17.5785 LDB: ============= START OF LOAD BALANCING ============== 3915.61 LDB: ============== END OF LOAD BALANCING =============== 3915.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3915.61 LDB: ============= START OF LOAD BALANCING ============== 3915.92 LDB: Largest compute 4800 load 0.028257 is 24.0% of average load 0.117878 LDB: Average compute 0.001751 is 1.5% of average load 0.117878 LDB: TIME 3915.92 LOAD: AVG 0.117878 MAX 0.211013 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.875 MB LDB: TIME 3915.92 LOAD: AVG 0.117878 MAX 0.211013 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.875 MB LDB: TIME 3915.92 LOAD: AVG 0.117878 MAX 0.211013 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.875 MB LDB: ============== END OF LOAD BALANCING =============== 3915.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3915.92 PRESSURE: 1300400 13.094 -35.3167 154.937 -35.3163 183.006 54.0248 154.936 54.0236 -278.476 GPRESSURE: 1300400 1.86504 -59.0664 205.616 -20.6067 209.554 40.4437 135.351 -11.98 -191.637 PRESSAVG: 1300400 16.8532 -73.3741 41.75 -73.3741 -30.715 -10.7998 41.75 -10.7998 5.5573 GPRESSAVG: 1300400 16.4243 -74.4007 42.4044 -73.8777 -30.1907 -9.64262 41.5614 -14.5031 5.32058 TIMING: 1300400 CPU: 3912.71, 0.00310212/step Wall: 3912.71, 0.00310212/step, 3.18795 hours remaining, 206.667969 MB of memory in use. ENERGY: 1300400 736.2024 2119.5955 1931.8768 106.5715 -206256.0158 17757.1680 0.0000 0.0000 34209.7326 -149394.8689 298.7621 -183604.6015 -149293.2648 299.5871 -27.4586 6.5941 556322.5538 -2.7682 -2.8153 PRESSURE: 1300600 55.1588 11.8443 -102.934 11.8442 -129.172 35.3407 -102.934 35.3417 -76.6978 GPRESSURE: 1300600 51.5762 45.3272 -40.9761 22.3817 -56.7594 66.7209 -65.1194 47.9963 -43.6696 PRESSAVG: 1300600 -6.98881 -10.4127 17.6572 -10.4127 93.9945 -21.7309 17.6571 -21.7308 -65.4819 GPRESSAVG: 1300600 -6.69833 -8.78395 16.8557 -12.8226 93.5121 -22.4948 16.2233 -19.7208 -64.8689 TIMING: 1300600 CPU: 3913.32, 0.003037/step Wall: 3913.32, 0.003037/step, 3.12086 hours remaining, 206.667969 MB of memory in use. ENERGY: 1300600 754.5167 2142.8217 1910.7540 122.8265 -206183.1613 17643.9572 0.0000 0.0000 34226.9413 -149381.3440 298.9124 -183608.2853 -149295.3365 298.5201 -50.2370 -16.2843 556285.0946 7.1746 7.3149 PRESSURE: 1300800 -288.117 54.3127 -82.8164 54.3127 -92.3265 66.9087 -82.817 66.9097 22.375 GPRESSURE: 1300800 -242.674 36.8657 -54.454 71.6765 -65.3605 0.808265 -104.897 96.7938 54.7575 PRESSAVG: 1300800 -16.4639 -14.5919 -18.0814 -14.592 -22.3042 39.1002 -18.0814 39.1003 45.3932 GPRESSAVG: 1300800 -15.2563 -14.1848 -16.7778 -12.7759 -23.6236 37.4742 -18.8725 40.401 45.8302 TIMING: 1300800 CPU: 3913.93, 0.00307034/step Wall: 3913.93, 0.00307034/step, 3.15494 hours remaining, 206.667969 MB of memory in use. ENERGY: 1300800 722.3857 2121.1622 1930.0031 128.2009 -205806.4298 17586.5025 0.0000 0.0000 34147.0510 -149171.1244 298.2147 -183318.1754 -149071.6861 298.7582 -119.3560 -84.4258 558540.7937 2.2084 2.3168 PRESSURE: 1301000 237.299 149.664 227.7 149.664 -79.19 12.2513 227.7 12.2511 -205.268 GPRESSURE: 1301000 267.214 35.6307 132.306 125.312 -17.2848 12.1004 285.947 30.9458 -191.479 PRESSAVG: 1301000 -13.4533 2.77434 6.58009 2.7743 15.9999 -26.2566 6.58013 -26.2566 -0.488915 GPRESSAVG: 1301000 -14.7919 2.02485 5.19473 1.99856 17.3579 -23.9752 9.06684 -25.9648 -0.664287 TIMING: 1301000 CPU: 3914.54, 0.00303003/step Wall: 3914.54, 0.00303003/step, 3.11336 hours remaining, 206.667969 MB of memory in use. ENERGY: 1301000 744.1030 2098.8906 1923.6465 109.7734 -206237.3497 17836.4494 0.0000 0.0000 34340.5297 -149183.9570 299.9044 -183524.4867 -149089.4570 298.8809 -15.7197 19.4834 557390.4244 0.6859 0.6339 PRESSURE: 1301200 -146.175 135.191 8.86688 135.19 -297.019 -1.6778 8.86737 -1.67782 9.53805 GPRESSURE: 1301200 -151.538 172.363 62.1655 102.245 -253.175 42.7288 -8.15387 -48.6112 79.8616 PRESSAVG: 1301200 -33.0151 6.74878 10.4971 6.74875 -35.8993 31.69 10.497 31.6901 29.0696 GPRESSAVG: 1301200 -32.3062 6.27491 11.6427 6.66144 -35.842 30.1895 10.6671 29.7785 28.6706 TIMING: 1301200 CPU: 3915.14, 0.00303217/step Wall: 3915.14, 0.00303217/step, 3.11539 hours remaining, 206.667969 MB of memory in use. ENERGY: 1301200 782.9831 2084.9342 1915.7607 105.5660 -206270.4470 17873.3873 0.0000 0.0000 34350.9975 -149156.8183 299.9958 -183507.8157 -149060.2775 300.1899 -144.5522 -108.2836 559396.0901 -13.2816 -13.1592 PRESSURE: 1301400 -29.4941 -105.025 -41.7568 -105.024 -231.467 -92.3423 -41.7575 -92.3428 41.8777 GPRESSURE: 1301400 23.3514 -75.3449 -18.9613 18.0792 -194.476 -92.5575 -106.56 -89.803 49.6725 PRESSAVG: 1301400 -17.1667 -15.0873 37.9887 -15.0872 -0.982625 -9.1077 37.9888 -9.10763 22.2506 GPRESSAVG: 1301400 -17.5269 -12.6595 38.4537 -15.1635 0.787797 -9.3942 37.1575 -9.0613 21.2079 TIMING: 1301400 CPU: 3915.74, 0.00298024/step Wall: 3915.74, 0.00298024/step, 3.06187 hours remaining, 206.667969 MB of memory in use. ENERGY: 1301400 736.8474 2059.7290 1941.0407 113.9179 -206119.1358 17650.6381 0.0000 0.0000 34418.4925 -149198.4702 300.5853 -183616.9628 -149103.7016 299.9925 -73.0278 -40.4839 558709.8536 1.3671 1.4896 PRESSURE: 1301600 103.626 238.993 59.3978 238.993 -29.5693 86.7262 59.3983 86.725 -73.0374 GPRESSURE: 1301600 164.419 166.743 -32.2696 340.229 41.3323 -16.301 74.4059 155.09 -104.323 PRESSAVG: 1301600 94.0232 -12.3823 -24.3233 -12.3823 -56.1841 -11.3586 -24.3233 -11.3586 -20.9841 GPRESSAVG: 1301600 94.0486 -15.2747 -24.423 -11.2625 -57.9123 -10.9975 -24.0693 -10.1997 -19.2637 TIMING: 1301600 CPU: 3916.34, 0.00298761/step Wall: 3916.34, 0.00298761/step, 3.06927 hours remaining, 206.667969 MB of memory in use. ENERGY: 1301600 764.6418 2064.2868 1950.4216 109.3716 -206464.3392 17997.7282 0.0000 0.0000 34494.4966 -149083.3925 301.2490 -183577.8891 -148986.0100 299.2667 0.3398 33.8095 558276.0834 5.6183 5.6242 PRESSURE: 1301800 -80.5103 -3.13994 -95.0962 -3.13822 -168.412 -52.1797 -95.0964 -52.1801 -43.9572 GPRESSURE: 1301800 -19.8559 28.6771 -75.8381 -8.37239 -122.405 -6.88268 -96.6381 -154.194 -70.2762 PRESSAVG: 1301800 -9.81912 12.8693 -49.0439 12.8693 -30.2311 -48.3766 -49.0439 -48.3766 43.4097 GPRESSAVG: 1301800 -9.33957 11.9886 -49.9216 13.0484 -30.8762 -47.8385 -49.6523 -49.7355 43.5494 TIMING: 1301800 CPU: 3916.93, 0.00299018/step Wall: 3916.93, 0.00299018/step, 3.07174 hours remaining, 206.667969 MB of memory in use. ENERGY: 1301800 778.7637 2029.5712 1914.3068 113.7100 -206231.8465 17857.9766 0.0000 0.0000 34300.2642 -149237.2539 299.5527 -183537.5181 -149139.0947 299.4814 -97.6265 -70.8457 557255.3820 1.1198 1.1112 PRESSURE: 1302000 -80.8156 50.4611 -71.0744 50.4603 -142.419 -36.3027 -71.0741 -36.3036 -66.4292 GPRESSURE: 1302000 -45.2569 20.3322 -231.762 66.7184 -110.439 -59.5059 25.6664 -6.04267 -36.0238 PRESSAVG: 1302000 -9.39304 -2.79366 -20.1618 -2.79356 39.5577 13.8319 -20.1618 13.8319 -56.3073 GPRESSAVG: 1302000 -10.166 -1.09683 -20.3804 -5.05387 40.546 13.1422 -19.6017 14.6767 -56.4763 TIMING: 1302000 CPU: 3917.54, 0.00300644/step Wall: 3917.54, 0.00300644/step, 3.08828 hours remaining, 206.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1302000 740.6812 1999.3929 1939.7212 109.0591 -206015.2254 17616.9556 0.0000 0.0000 34256.7683 -149352.6471 299.1729 -183609.4154 -149257.1880 298.6843 -96.5546 -63.9067 557307.2025 -8.7142 -8.6988 PRESSURE: 1302200 -31.4427 98.163 -235.736 98.1638 -131.676 37.6565 -235.736 37.6595 -228.435 GPRESSURE: 1302200 -44.2099 134.356 -155.913 32.3987 -103.427 48.3164 -228.186 -72.6996 -139.543 PRESSAVG: 1302200 92.5672 27.7522 11.2491 27.7522 -17.5948 -12.4241 11.2491 -12.4241 -36.5896 GPRESSAVG: 1302200 92.6171 25.2348 11.5553 29.1409 -17.4607 -12.0805 7.94356 -13.1071 -36.7346 TIMING: 1302200 CPU: 3918.13, 0.00298039/step Wall: 3918.13, 0.00298039/step, 3.06136 hours remaining, 206.667969 MB of memory in use. ENERGY: 1302200 776.2210 2009.5040 1929.4356 100.5126 -206366.2807 17693.2090 0.0000 0.0000 34550.2078 -149307.1906 301.7356 -183857.3984 -149217.0196 299.0057 -130.5179 -95.7267 557894.7660 12.7943 12.8072 PRESSURE: 1302400 58.1344 29.4795 -136.982 29.479 216.261 129.196 -136.981 129.196 25.5577 GPRESSURE: 1302400 161.817 9.99882 -168.547 11.5083 201.928 93.0332 -56.2949 115.964 13.3401 PRESSAVG: 1302400 -11.1855 -33.3173 -94.0504 -33.3174 32.5411 36.8341 -94.0504 36.834 4.186 GPRESSAVG: 1302400 -9.16374 -33.1226 -92.6949 -32.8888 32.1392 36.956 -89.9748 37.5037 3.15793 TIMING: 1302400 CPU: 3918.74, 0.0030214/step Wall: 3918.74, 0.0030214/step, 3.10331 hours remaining, 206.667969 MB of memory in use. ENERGY: 1302400 766.0271 2072.7876 1938.9880 116.1341 -206241.2173 17907.7333 0.0000 0.0000 34059.7018 -149379.8454 297.4518 -183439.5472 -149288.2963 298.8290 99.9845 125.6950 556199.5343 8.5139 8.7111 PRESSURE: 1302600 -59.6136 -126.568 113.644 -126.569 -12.9089 -7.50653 113.642 -7.50615 -100.752 GPRESSURE: 1302600 -106.707 -71.979 138.984 -195.197 35.1223 15.2774 107.82 -71.1302 6.45007 PRESSAVG: 1302600 36.4491 -73.0558 -7.8804 -73.0559 -0.507113 39.2128 -7.8804 39.2128 -38.1511 GPRESSAVG: 1302600 35.9734 -71.9979 -8.26222 -72.2892 0.213957 38.7377 -8.48731 39.1658 -38.1695 TIMING: 1302600 CPU: 3919.34, 0.00300935/step Wall: 3919.34, 0.00300935/step, 3.09077 hours remaining, 206.667969 MB of memory in use. ENERGY: 1302600 766.8435 2104.6630 1916.4088 115.1428 -206504.1119 17758.1972 0.0000 0.0000 34401.9603 -149440.8963 300.4409 -183842.8566 -149343.0353 298.5551 -57.7582 -21.7116 557128.1319 -0.7364 -0.6607 PRESSURE: 1302800 -37.6076 120.09 14.5682 120.09 245.164 -135.011 14.5678 -135.012 60.9847 GPRESSURE: 1302800 20.1378 106.695 1.2359 65.2751 235.931 -98.8743 53.4711 -75.5941 115.698 PRESSAVG: 1302800 -5.47192 -21.9254 -21.1009 -21.9255 1.50289 16.5967 -21.1011 16.5967 39.7347 GPRESSAVG: 1302800 -6.99965 -20.789 -22.3592 -24.6992 0.788183 17.0646 -22.556 17.516 41.3268 TIMING: 1302800 CPU: 3919.95, 0.00307323/step Wall: 3919.95, 0.00307323/step, 3.15621 hours remaining, 206.667969 MB of memory in use. ENERGY: 1302800 735.8727 2050.4119 1943.9709 116.2970 -206535.2274 17969.8049 0.0000 0.0000 34302.7185 -149416.1515 299.5742 -183718.8700 -149314.3397 298.6566 89.5137 123.9222 557465.3530 11.9219 11.7051 PRESSURE: 1303000 4.37811 -41.3509 -96.5612 -41.3508 315.057 17.6901 -96.561 17.6894 -14.5705 GPRESSURE: 1303000 16.7521 -9.70795 -134.162 -60.3823 364.738 37.3783 -27.954 -54.4661 21.8073 PRESSAVG: 1303000 32.3563 -66.0105 -24.7847 -66.0104 53.9237 -35.3779 -24.7847 -35.378 -97.3377 GPRESSAVG: 1303000 33.9693 -65.5976 -23.1797 -66.5968 53.12 -35.9402 -24.1859 -36.5168 -98.3012 TIMING: 1303000 CPU: 3920.55, 0.00300696/step Wall: 3920.55, 0.00300696/step, 3.08798 hours remaining, 206.667969 MB of memory in use. ENERGY: 1303000 759.1647 1990.1586 1935.4706 116.8295 -206182.6602 17870.6971 0.0000 0.0000 34158.9333 -149351.4064 298.3185 -183510.3397 -149257.4296 298.6919 101.6214 134.4326 557886.8843 -3.6859 -3.7373 PRESSURE: 1303200 68.5529 166.837 -107.734 166.837 57.6867 -140.157 -107.735 -140.158 6.51315 GPRESSURE: 1303200 145.344 211.399 -22.4021 116.77 71.6622 -104.994 -129.345 -184.151 12.1728 PRESSAVG: 1303200 -45.0243 -9.14036 1.76887 -9.14039 34.1856 -13.1563 1.76889 -13.1563 -18.8001 GPRESSAVG: 1303200 -45.7228 -10.5035 1.36656 -7.96459 33.4908 -13.7922 2.01269 -13.5091 -18.1277 TIMING: 1303200 CPU: 3921.15, 0.00299629/step Wall: 3921.15, 0.00299629/step, 3.07686 hours remaining, 206.667969 MB of memory in use. ENERGY: 1303200 745.5541 2005.5545 1950.5930 109.0403 -206150.2643 17819.6376 0.0000 0.0000 34192.3699 -149327.5149 298.6105 -183519.8848 -149228.6552 298.3414 44.2509 76.3928 557239.5900 -9.8796 -10.1199 PRESSURE: 1303400 -18.2913 15.5772 24.32 15.5768 -338.876 31.1985 24.3201 31.1994 -64.2901 GPRESSURE: 1303400 15.6355 10.9148 25.3658 86.408 -288.823 80.9855 -19.96 48.5339 -45.0964 PRESSAVG: 1303400 -4.33805 45.3193 11.192 45.3193 24.155 9.80368 11.1921 9.80367 -50.1358 GPRESSAVG: 1303400 -4.82033 46.0318 9.89513 45.8096 25.891 9.99175 11.2676 10.5855 -51.2924 TIMING: 1303400 CPU: 3921.75, 0.00298772/step Wall: 3921.75, 0.00298772/step, 3.06789 hours remaining, 206.667969 MB of memory in use. ENERGY: 1303400 761.0324 1990.5276 1943.5438 103.3323 -205831.7105 17547.7249 0.0000 0.0000 34225.7658 -149259.7837 298.9021 -183485.5495 -149164.6900 298.4872 -140.4858 -106.0946 559262.8564 -10.1063 -10.0739 PRESSURE: 1303600 107.918 257.326 -118.374 257.324 -167.274 76.8383 -118.374 76.8367 -70.7533 GPRESSURE: 1303600 42.945 253.815 -80.4804 224.144 -87.8499 69.8906 -161.921 50.4369 9.56978 PRESSAVG: 1303600 16.5704 -12.1402 -2.05476 -12.1402 37.6983 10.2013 -2.05482 10.2013 -29.8742 GPRESSAVG: 1303600 15.2809 -12.8923 -1.81747 -12.6833 37.6705 9.1839 0.396414 11.0582 -28.901 TIMING: 1303600 CPU: 3922.35, 0.00298502/step Wall: 3922.35, 0.00298502/step, 3.06495 hours remaining, 206.667969 MB of memory in use. ENERGY: 1303600 751.9121 2034.6456 1937.1595 123.2293 -206013.5430 17874.2270 0.0000 0.0000 34121.3083 -149171.0611 297.9899 -183292.3695 -149068.7630 298.6718 -43.3697 -11.7784 558265.3187 8.1315 8.0168 PRESSURE: 1303800 -129.864 88.3715 -82.3371 88.3722 167.879 -180.425 -82.3387 -180.426 -189.175 GPRESSURE: 1303800 -104.942 113.544 -143.057 45.0477 152.01 -59.1787 11.3701 -223.588 -103.798 PRESSAVG: 1303800 -42.4676 46.5778 -0.4724 46.5778 74.7395 35.1465 -0.472327 35.1464 0.982869 GPRESSAVG: 1303800 -41.4558 48.035 0.243588 45.3423 73.3563 35.5425 -2.31232 34.4654 0.901913 TIMING: 1303800 CPU: 3922.94, 0.00298551/step Wall: 3922.94, 0.00298551/step, 3.06529 hours remaining, 206.667969 MB of memory in use. ENERGY: 1303800 733.4466 2070.7648 1944.9344 112.0778 -205933.9410 17589.8086 0.0000 0.0000 34246.9673 -149235.9416 299.0873 -183482.9089 -149147.2273 299.8310 -50.3866 -18.9103 557705.4127 11.0849 10.9341 PRESSURE: 1304000 7.54277 207.115 -160.038 207.115 -224.022 -91.2317 -160.039 -91.231 -253.574 GPRESSURE: 1304000 17.3091 265.234 -129.196 150.963 -193.213 -135.86 -137.806 -17.5594 -191.532 PRESSAVG: 1304000 35.7847 50.1375 -65.3646 50.1374 14.4366 -37.3573 -65.3646 -37.3573 -29.1585 GPRESSAVG: 1304000 36.7137 47.3307 -66.3135 52.8419 14.5934 -36.4627 -64.1732 -38.2005 -29.8531 TIMING: 1304000 CPU: 3923.55, 0.00301218/step Wall: 3923.55, 0.00301218/step, 3.0925 hours remaining, 206.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1304000 759.8012 2021.6239 1932.1853 107.8892 -206033.7881 17684.0382 0.0000 0.0000 34398.7069 -149129.5434 300.4125 -183528.2503 -149032.1574 299.6100 -156.6846 -122.4785 558694.5930 7.0209 7.1514 PRESSURE: 1304200 -112.078 156.434 7.35042 156.434 -55.544 -82.8667 7.3496 -82.8679 -446.561 GPRESSURE: 1304200 -63.9475 86.7468 15.9127 232.359 -80.9037 -113.676 -15.0516 -70.7383 -369.203 PRESSAVG: 1304200 83.5842 23.7523 -34.7534 23.7524 -44.1747 -39.4327 -34.7533 -39.4325 -33.1121 GPRESSAVG: 1304200 83.1703 24.8107 -33.167 23.2079 -42.8626 -39.4641 -34.2875 -38.3213 -33.7585 TIMING: 1304200 CPU: 3924.16, 0.00304652/step Wall: 3924.16, 0.00304652/step, 3.12759 hours remaining, 206.667969 MB of memory in use. ENERGY: 1304200 758.2910 2114.3159 1915.8336 104.3969 -206249.5168 17732.3718 0.0000 0.0000 34478.5292 -149145.7785 301.1096 -183624.3076 -149048.3225 299.9725 -204.7279 -171.3513 558177.7310 2.0991 2.1831 LDB: ============= START OF LOAD BALANCING ============== 3927.68 LDB: ============== END OF LOAD BALANCING =============== 3927.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3927.68 LDB: ============= START OF LOAD BALANCING ============== 3927.98 LDB: Largest compute 4800 load 0.028171 is 23.9% of average load 0.117977 LDB: Average compute 0.001754 is 1.5% of average load 0.117977 LDB: TIME 3927.98 LOAD: AVG 0.117977 MAX 0.212206 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.469 MB LDB: TIME 3927.98 LOAD: AVG 0.117977 MAX 0.212206 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.473 MB LDB: TIME 3927.98 LOAD: AVG 0.117977 MAX 0.212206 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.473 MB LDB: ============== END OF LOAD BALANCING =============== 3927.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3927.99 PRESSURE: 1304400 -147.443 78.4307 -44.4664 78.4315 -115.965 99.1726 -44.4671 99.1741 -261.521 GPRESSURE: 1304400 -126.108 60.7686 -27.5821 102.07 -45.7169 54.6867 -9.03098 99.7055 -236.088 PRESSAVG: 1304400 47.2937 -3.37772 -37.3476 -3.37776 -13.5955 -41.5479 -37.3477 -41.5477 -44.5408 GPRESSAVG: 1304400 47.9085 -3.08208 -37.937 -4.01563 -14.8658 -40.6833 -36.2566 -42.7341 -43.714 TIMING: 1304400 CPU: 3924.77, 0.00307897/step Wall: 3924.77, 0.00307896/step, 3.16073 hours remaining, 206.222656 MB of memory in use. ENERGY: 1304400 764.0671 2107.9958 1938.4282 111.4267 -205821.6632 17629.3112 0.0000 0.0000 34100.7599 -149169.6744 297.8104 -183270.4343 -149069.8699 300.2133 -174.9762 -135.9710 559069.3590 -3.6142 -3.5571 PRESSURE: 1304600 19.0006 57.3229 1.58771 57.3225 -262.205 -153.889 1.58815 -153.888 -311.031 GPRESSURE: 1304600 20.1048 119.31 64.0002 101.144 -275.86 -124.805 66.9085 -164.126 -202.156 PRESSAVG: 1304600 59.0637 17.1463 -30.0031 17.1464 19.583 -44.6169 -30.0029 -44.6169 -50.7583 GPRESSAVG: 1304600 57.9859 15.3445 -30.0028 16.4507 20.2123 -45.0283 -31.6935 -41.9645 -50.6503 TIMING: 1304600 CPU: 3925.38, 0.00302039/step Wall: 3925.38, 0.00302039/step, 3.10043 hours remaining, 206.281250 MB of memory in use. ENERGY: 1304600 775.4190 2062.4709 1949.6490 111.7969 -206135.4048 17648.0805 0.0000 0.0000 34344.5767 -149243.4118 299.9397 -183587.9884 -149149.7893 299.8793 -184.7450 -152.6373 557812.5650 9.2961 9.1826 PRESSURE: 1304800 -215.772 119.087 28.3271 119.087 -287.687 39.7757 28.3267 39.7753 32.6842 GPRESSURE: 1304800 -190.894 103.876 43.0335 135.79 -218.714 30.3454 -66.2494 -13.6371 25.8189 PRESSAVG: 1304800 2.81524 60.847 -84.5274 60.847 15.333 -15.1568 -84.5275 -15.1568 -13.215 GPRESSAVG: 1304800 3.61443 64.5158 -85.2496 59.6049 14.9289 -14.8643 -85.7158 -17.0334 -14.2034 TIMING: 1304800 CPU: 3925.98, 0.00302324/step Wall: 3925.98, 0.00302324/step, 3.10319 hours remaining, 206.281250 MB of memory in use. ENERGY: 1304800 779.6239 2099.8137 1931.6173 113.3912 -206095.4436 17667.5522 0.0000 0.0000 34325.9669 -149177.4784 299.7772 -183503.4453 -149080.9319 299.5640 -156.9246 -127.9297 556978.3559 1.6444 1.4467 PRESSURE: 1305000 38.2358 113.158 111.193 113.158 92.5387 -105.842 111.194 -105.841 -304.828 GPRESSURE: 1305000 28.0544 67.9753 62.0207 102.731 160.943 -114.488 135.018 -59.6421 -268.639 PRESSAVG: 1305000 23.1613 15.2618 -17.6589 15.2618 63.8477 -34.1526 -17.6589 -34.1525 -98.2534 GPRESSAVG: 1305000 23.1432 13.2558 -16.6905 16.7519 63.6321 -34.266 -17.7306 -32.92 -98.4175 TIMING: 1305000 CPU: 3926.59, 0.0030317/step Wall: 3926.59, 0.0030317/step, 3.1117 hours remaining, 206.281250 MB of memory in use. ENERGY: 1305000 753.7790 1995.6662 1933.2171 109.4379 -206158.4098 17752.3290 0.0000 0.0000 34382.0531 -149231.9274 300.2670 -183613.9806 -149126.9154 299.1984 -58.0180 -26.5472 558776.1347 -3.7481 -3.8807 PRESSURE: 1305200 128.643 -21.8821 -36.2752 -21.8815 157.881 103.87 -36.2768 103.87 -99.8792 GPRESSURE: 1305200 117.724 -22.1634 -45.1817 27.2748 225.591 151.023 -59.9958 131.642 -57.0545 PRESSAVG: 1305200 -5.58997 47.3995 0.844161 47.3994 31.0393 0.232568 0.844223 0.232466 60.6739 GPRESSAVG: 1305200 -6.49103 46.8799 1.16204 48.8118 30.8091 -1.87079 0.952174 0.141966 62.8803 TIMING: 1305200 CPU: 3927.19, 0.00302843/step Wall: 3927.19, 0.00302843/step, 3.10818 hours remaining, 206.281250 MB of memory in use. ENERGY: 1305200 746.5462 2077.9342 1951.2593 121.4103 -206241.8795 17955.5208 0.0000 0.0000 34319.9470 -149069.2616 299.7246 -183389.2086 -148965.8325 299.7564 62.2149 95.4201 557566.2795 28.7078 29.0661 PRESSURE: 1305400 69.1501 196.166 43.1709 196.167 157.092 -40.9501 43.1718 -40.948 -142.583 GPRESSURE: 1305400 104.396 216.354 13.1223 117.152 185.936 11.1376 70.7785 -84.9967 -88.6708 PRESSAVG: 1305400 -12.2265 12.9686 16.6599 12.9686 40.7909 57.853 16.6599 57.853 6.24039 GPRESSAVG: 1305400 -12.6156 13.9812 13.2886 11.7581 42.0228 61.5675 17.3601 54.9241 5.94971 TIMING: 1305400 CPU: 3927.79, 0.00298713/step Wall: 3927.79, 0.00298713/step, 3.06562 hours remaining, 206.281250 MB of memory in use. ENERGY: 1305400 723.3965 2069.4914 1954.3746 112.4417 -206204.4677 17997.0385 0.0000 0.0000 34148.2892 -149199.4358 298.2255 -183347.7250 -149098.9592 299.5878 27.8864 67.2203 558948.2298 11.6016 11.7856 PRESSURE: 1305600 -37.548 10.1633 -58.1897 10.163 214.091 -37.2737 -58.1914 -37.273 -31.0278 GPRESSURE: 1305600 32.1106 10.1453 3.01969 -0.00763148 197.825 -112.834 -50.3938 -99.6934 20.4539 PRESSAVG: 1305600 32.3262 18.7609 7.67379 18.7609 -68.462 41.0868 7.6738 41.0868 -0.731504 GPRESSAVG: 1305600 32.3777 18.8319 8.7744 17.2435 -68.5309 39.795 6.39952 44.0493 -0.719658 TIMING: 1305600 CPU: 3928.4, 0.00303712/step Wall: 3928.4, 0.00303712/step, 3.11676 hours remaining, 206.281250 MB of memory in use. ENERGY: 1305600 722.5285 2051.4952 1928.4235 112.1165 -205917.6325 17827.2495 0.0000 0.0000 34246.9167 -149028.9026 299.0868 -183275.8193 -148925.1234 299.2428 48.5050 83.4631 557900.3256 -12.2891 -12.2909 PRESSURE: 1305800 -105.853 61.6067 -16.7049 61.6064 145.519 -121.256 -16.7045 -121.256 54.1172 GPRESSURE: 1305800 9.13312 87.9603 -36.5193 -13.4783 167.807 -121.281 -11.7878 -53.2738 21.0112 PRESSAVG: 1305800 -4.31066 13.5826 -14.3218 13.5826 -66.8503 13.5642 -14.3219 13.5642 74.6236 GPRESSAVG: 1305800 -3.97703 13.3306 -14.3561 15.1816 -65.3626 14.7503 -14.4755 11.4148 73.3065 TIMING: 1305800 CPU: 3929, 0.00301487/step Wall: 3929, 0.00301487/step, 3.09376 hours remaining, 206.281250 MB of memory in use. ENERGY: 1305800 753.1916 2064.9084 1909.9367 111.0618 -205918.0122 17857.9851 0.0000 0.0000 34219.1850 -149001.7436 298.8447 -183220.9286 -148914.6686 298.7561 31.2611 65.9839 558776.4491 1.1542 1.3223 PRESSURE: 1306000 26.6078 162.968 -110.49 162.968 -193.858 30.6141 -110.49 30.6161 233.272 GPRESSURE: 1306000 51.8141 62.1817 -46.5428 185.793 -113.887 37.1472 -206.133 71.0346 232.806 PRESSAVG: 1306000 41.1029 11.2527 20.7926 11.2526 -65.6772 53.0942 20.7925 53.0941 48.2655 GPRESSAVG: 1306000 40.9294 11.5739 21.2625 10.7802 -66.5183 51.9947 21.8122 51.9548 48.8916 TIMING: 1306000 CPU: 3929.61, 0.00302542/step Wall: 3929.61, 0.00302542/step, 3.10442 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: 1306000 702.3643 2073.8645 1939.2457 114.1177 -205903.6700 17696.0092 0.0000 0.0000 34191.0798 -149186.9888 298.5992 -183378.0686 -149092.1162 299.1487 22.0070 56.9109 558447.4601 7.8971 7.7675 PRESSURE: 1306200 -6.50469 -88.5337 -136.835 -88.5324 168.315 -35.5901 -136.834 -35.5906 -41.7656 GPRESSURE: 1306200 33.1895 -49.6222 -247.784 -120.988 171.126 -37.249 -141.099 10.9877 18.2236 PRESSAVG: 1306200 -40.042 21.1487 -26.6769 21.1486 4.92004 -13.3568 -26.6769 -13.3569 31.83 GPRESSAVG: 1306200 -39.313 20.9901 -29.2038 20.2339 3.77914 -12.8124 -26.1001 -11.2 32.0629 TIMING: 1306200 CPU: 3930.21, 0.00304051/step Wall: 3930.21, 0.00304051/step, 3.11973 hours remaining, 206.281250 MB of memory in use. ENERGY: 1306200 718.2255 2055.4727 1952.8271 101.3977 -206178.0723 17792.0054 0.0000 0.0000 34234.3265 -149323.8174 298.9769 -183558.1439 -149223.6888 298.8709 40.0149 74.1796 556687.2892 -1.0973 -1.1570 PRESSURE: 1306400 21.1854 -29.9789 -165.372 -29.9797 -72.7324 -151.43 -165.372 -151.428 94.0714 GPRESSURE: 1306400 50.9063 -105.472 -99.6641 21.2936 -4.18717 -177.395 -141.431 -57.6213 83.5941 PRESSAVG: 1306400 30.0607 27.4628 -58.1438 27.4628 -91.1126 -77.9792 -58.1438 -77.9793 28.7358 GPRESSAVG: 1306400 29.5406 25.3314 -56.2747 29.2772 -90.6186 -79.0976 -58.2668 -77.2824 28.8168 TIMING: 1306400 CPU: 3930.82, 0.00301715/step Wall: 3930.82, 0.00301715/step, 3.0956 hours remaining, 206.281250 MB of memory in use. ENERGY: 1306400 723.4417 2055.7389 1921.7469 123.2129 -206204.9286 17777.0767 0.0000 0.0000 34276.3109 -149327.4005 299.3435 -183603.7114 -149231.0054 299.1450 14.1748 43.4378 556837.7544 -10.7720 -10.7537 PRESSURE: 1306600 -215.878 -17.0165 108.754 -17.0168 200.062 76.9619 108.754 76.9628 57.9991 GPRESSURE: 1306600 -138.932 -59.1985 84.5018 -50.5264 153.201 43.695 126.879 43.9598 129.14 PRESSAVG: 1306600 32.525 6.98907 -10.396 6.98901 -51.2594 9.99628 -10.3961 9.99628 -7.70706 GPRESSAVG: 1306600 33.1334 8.61775 -9.29472 5.46323 -52.387 10.892 -11.2194 9.18708 -7.32212 TIMING: 1306600 CPU: 3931.42, 0.00303317/step Wall: 3931.42, 0.00303317/step, 3.11186 hours remaining, 206.281250 MB of memory in use. ENERGY: 1306600 738.1538 2041.7481 1925.4590 106.0539 -206023.4922 17735.9570 0.0000 0.0000 34375.9943 -149100.1261 300.2141 -183476.1204 -149002.4216 298.3661 14.0609 47.8031 557328.2913 -8.8138 -8.8586 PRESSURE: 1306800 84.952 3.6925 -206.145 3.69221 -199.323 -201.184 -206.148 -201.183 -58.1866 GPRESSURE: 1306800 47.2806 51.162 -101.21 -46.258 -76.5495 -168.092 -226.461 -178.032 -34.4036 PRESSAVG: 1306800 48.2009 20.9964 12.4416 20.9963 -0.956793 0.0283975 12.4415 0.0283009 -38.634 GPRESSAVG: 1306800 47.0344 20.966 12.7959 22.7301 0.286338 -0.864818 11.6218 0.80629 -38.9491 TIMING: 1306800 CPU: 3932.03, 0.00303755/step Wall: 3932.03, 0.00303755/step, 3.11619 hours remaining, 206.281250 MB of memory in use. ENERGY: 1306800 728.5788 1998.1864 1914.5098 111.9122 -206167.7844 17805.4934 0.0000 0.0000 34297.0971 -149312.0068 299.5251 -183609.1038 -149218.3891 298.8453 -57.5193 -21.2242 556870.3341 2.8700 2.7905 PRESSURE: 1307000 123.129 -76.9421 -56.5541 -76.9405 66.5005 -14.1619 -56.5546 -14.1618 221.758 GPRESSURE: 1307000 135.332 -18.1532 -28.2929 -32.8666 69.5333 -36.6307 -74.2191 -0.319475 297.477 PRESSAVG: 1307000 23.2475 -37.1868 -21.1697 -37.1869 11.8057 -9.41455 -21.1697 -9.41461 -53.6101 GPRESSAVG: 1307000 23.5138 -37.1676 -22.5193 -37.9569 12.0843 -9.58753 -19.8086 -9.93349 -53.8283 TIMING: 1307000 CPU: 3932.64, 0.0030329/step Wall: 3932.64, 0.0030329/step, 3.11125 hours remaining, 206.281250 MB of memory in use. ENERGY: 1307000 762.7192 2091.5080 1894.8856 105.3591 -206629.5460 18220.5469 0.0000 0.0000 34314.3730 -149240.1541 299.6760 -183554.5271 -149142.9646 299.7101 137.1291 167.4473 556773.5292 -6.1856 -6.0767 PRESSURE: 1307200 -120.945 146.987 -104.927 146.988 -180.374 20.1819 -104.927 20.1833 339.421 GPRESSURE: 1307200 -56.5207 132.272 -72.447 82.4193 -135.912 65.4698 -5.01567 78.7478 324.549 PRESSAVG: 1307200 24.6216 -26.7329 -27.3501 -26.7328 35.4803 48.0143 -27.3502 48.0144 -34.7163 GPRESSAVG: 1307200 23.7408 -26.635 -27.1201 -26.6128 34.8135 47.9208 -27.6545 47.8167 -33.2412 TIMING: 1307200 CPU: 3933.25, 0.00304137/step Wall: 3933.25, 0.00304137/step, 3.11977 hours remaining, 206.281250 MB of memory in use. ENERGY: 1307200 741.7900 2072.9421 1911.9958 106.4811 -206135.4420 17816.9861 0.0000 0.0000 34253.0849 -149232.1620 299.1407 -183485.2469 -149131.6357 299.6417 12.7006 44.0386 557220.9053 8.4618 8.4377 PRESSURE: 1307400 -36.6928 -64.3922 -100.502 -64.3924 -0.11928 72.9098 -100.503 72.9099 95.447 GPRESSURE: 1307400 2.64511 -31.6137 -36.7153 -28.3434 60.5423 56.915 -98.3562 120.299 93.665 PRESSAVG: 1307400 -12.7432 -1.91038 44.0407 -1.91032 -79.7993 68.4019 44.0407 68.4018 48.606 GPRESSAVG: 1307400 -12.5098 -3.01939 45.0195 1.19834 -78.6435 68.6128 43.961 68.6609 47.2656 TIMING: 1307400 CPU: 3933.85, 0.00302147/step Wall: 3933.85, 0.00302147/step, 3.09919 hours remaining, 206.281250 MB of memory in use. ENERGY: 1307400 740.1104 2054.0520 1938.7059 108.8861 -206387.0657 17891.7999 0.0000 0.0000 34135.7566 -149517.7548 298.1161 -183653.5114 -149418.1233 298.8067 19.5450 52.2841 556826.2603 -14.6455 -14.6293 PRESSURE: 1307600 -102.47 114.796 -20.0589 114.798 219.513 123.284 -20.0577 123.283 266.987 GPRESSURE: 1307600 -72.1768 160.425 -89.1988 132.852 250.895 91.2626 7.62739 127.715 307.486 PRESSAVG: 1307600 -9.01476 -19.437 -19.9396 -19.4371 -8.6802 34.151 -19.9395 34.1511 43.3328 GPRESSAVG: 1307600 -8.15413 -19.1743 -17.04 -22.8165 -9.23309 33.924 -21.3429 34.2291 42.9303 TIMING: 1307600 CPU: 3934.45, 0.00301728/step Wall: 3934.45, 0.00301728/step, 3.09472 hours remaining, 206.281250 MB of memory in use. ENERGY: 1307600 721.1329 2046.5162 1930.4489 127.6714 -206468.0990 17977.2446 0.0000 0.0000 34330.1111 -149334.9737 299.8134 -183665.0849 -149240.0174 299.0142 128.0101 162.0680 555861.0138 8.5459 8.5144 PRESSURE: 1307800 -123.597 -5.31576 127.795 -5.31549 -191.472 -44.1427 127.795 -44.1421 -182.38 GPRESSURE: 1307800 -89.3974 38.6685 220.183 -27.8427 -162.742 -64.6451 132.805 -26.0958 -143.644 PRESSAVG: 1307800 -57.3572 1.74118 19.3036 1.74128 -66.3589 1.28029 19.3035 1.28016 109.288 GPRESSAVG: 1307800 -57.0803 2.00879 15.3789 0.67554 -66.6066 2.56499 21.4677 1.02186 109.72 TIMING: 1307800 CPU: 3935.05, 0.00300509/step Wall: 3935.05, 0.00300509/step, 3.08205 hours remaining, 206.281250 MB of memory in use. ENERGY: 1307800 770.5880 2073.8321 1924.1896 94.8365 -206102.6471 17633.7547 0.0000 0.0000 34219.1092 -149386.3369 298.8440 -183605.4461 -149299.8359 298.9723 -165.8159 -131.9279 557739.9592 -4.8094 -4.6555 PRESSURE: 1308000 -113.161 -135.187 27.1946 -135.187 -129.284 77.9203 27.1953 77.9207 -221.178 GPRESSURE: 1308000 -95.5492 -19.3924 19.9367 -173.616 -66.5558 85.3786 60.2722 52.276 -211.834 PRESSAVG: 1308000 16.1618 42.8156 73.7681 42.8157 35.4154 48.8276 73.7682 48.8277 -12.6763 GPRESSAVG: 1308000 15.2833 43.7383 74.9419 43.0469 36.1093 46.5636 73.4651 51.5877 -12.3354 TIMING: 1308000 CPU: 3935.66, 0.00303878/step Wall: 3935.66, 0.00303878/step, 3.11643 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: 1308000 750.9962 2119.5712 1905.1340 109.6242 -206103.5416 17738.8547 0.0000 0.0000 34066.9577 -149412.4035 297.5152 -183479.3612 -149323.2106 298.4382 -154.5409 -124.6464 558234.8495 12.9670 13.0191 PRESSURE: 1308200 -17.2589 -81.8405 89.0067 -81.8398 -32.5844 4.21996 89.0066 4.2185 -420.085 GPRESSURE: 1308200 -46.6865 -167.573 37.86 -71.4997 -12.122 -6.14168 82.1837 27.5915 -314.518 PRESSAVG: 1308200 93.093 -35.6318 63.5759 -35.6317 -97.3504 25.1898 63.5759 25.1897 -13.9261 GPRESSAVG: 1308200 92.7649 -37.1353 62.9731 -35.2463 -97.2298 26.5874 61.7884 23.2322 -13.9106 TIMING: 1308200 CPU: 3936.27, 0.00304522/step Wall: 3936.27, 0.00304522/step, 3.12287 hours remaining, 206.281250 MB of memory in use. ENERGY: 1308200 714.0104 2087.2806 1918.9998 112.5982 -205953.2867 17550.2799 0.0000 0.0000 34353.0911 -149217.0266 300.0141 -183570.1177 -149116.4615 298.6627 -156.6426 -124.4423 557973.2888 -6.0612 -6.1252 LDB: ============= START OF LOAD BALANCING ============== 3939.79 LDB: ============== END OF LOAD BALANCING =============== 3939.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3939.79 LDB: ============= START OF LOAD BALANCING ============== 3940.1 LDB: Largest compute 4800 load 0.028892 is 24.5% of average load 0.117902 LDB: Average compute 0.001755 is 1.5% of average load 0.117902 LDB: TIME 3940.1 LOAD: AVG 0.117902 MAX 0.211922 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.18 MB LDB: TIME 3940.1 LOAD: AVG 0.117902 MAX 0.211922 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.18 MB LDB: TIME 3940.1 LOAD: AVG 0.117902 MAX 0.211922 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.18 MB LDB: ============== END OF LOAD BALANCING =============== 3940.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3940.11 PRESSURE: 1308400 -323.527 -40.8689 -94.0913 -40.8683 -97.3719 -190.891 -94.0922 -190.891 -227.924 GPRESSURE: 1308400 -246.712 -39.0609 -111.822 -3.01349 -78.2212 -182.61 -61.2551 -183.814 -228.827 PRESSAVG: 1308400 -3.02965 -38.1402 63.0993 -38.1402 22.5114 41.611 63.0994 41.6111 26.3739 GPRESSAVG: 1308400 -1.58024 -39.101 62.4255 -35.6547 20.4068 41.772 63.0612 41.4785 26.7765 TIMING: 1308400 CPU: 3936.89, 0.00308756/step Wall: 3936.89, 0.00308756/step, 3.16612 hours remaining, 208.003906 MB of memory in use. ENERGY: 1308400 782.2767 2067.5993 1933.7591 109.2115 -206131.7145 17535.1141 0.0000 0.0000 34294.2289 -149409.5249 299.5000 -183703.7538 -149309.5962 298.9220 -216.2745 -184.5865 558313.3546 15.2852 15.2010 PRESSURE: 1308600 -107.767 -60.2776 -129.409 -60.2774 -245.494 -87.883 -129.409 -87.8836 -51.1252 GPRESSURE: 1308600 -101.015 -9.3649 -173.058 -23.1832 -187.754 -77.4803 -126.979 -135.148 -9.52942 PRESSAVG: 1308600 -0.387978 -24.5964 -6.74402 -24.5964 2.52132 3.34845 -6.74407 3.34848 15.6459 GPRESSAVG: 1308600 -1.66262 -22.4362 -7.91797 -26.9457 4.48209 3.30623 -4.76476 3.87434 14.7404 TIMING: 1308600 CPU: 3937.49, 0.00302802/step Wall: 3937.49, 0.00302802/step, 3.1049 hours remaining, 208.003906 MB of memory in use. ENERGY: 1308600 760.8897 2049.5658 1909.6675 124.9779 -205898.9922 17717.4905 0.0000 0.0000 34072.2120 -149264.1887 297.5611 -183336.4008 -149169.7225 298.7725 -134.7953 -99.4327 559215.2852 5.9264 5.8533 PRESSURE: 1308800 110.88 57.3599 149.023 57.3608 303.306 -6.65878 149.023 -6.65953 168.429 GPRESSURE: 1308800 161.914 62.3566 196.713 33.2548 323.128 -89.3701 97.9738 -17.4655 196.576 PRESSAVG: 1308800 -8.28945 -7.29329 4.13539 -7.29325 12.7644 -39.8501 4.13548 -39.85 -8.7312 GPRESSAVG: 1308800 -7.116 -6.94135 5.61999 -7.49772 11.1534 -40.2677 1.9956 -40.1982 -9.06698 TIMING: 1308800 CPU: 3938.1, 0.00303916/step Wall: 3938.1, 0.00303916/step, 3.11615 hours remaining, 208.003906 MB of memory in use. ENERGY: 1308800 732.0241 2125.7399 1923.7267 109.9731 -206619.3990 18109.2543 0.0000 0.0000 34440.4884 -149178.1925 300.7774 -183618.6809 -149080.6580 299.1294 194.2051 227.2061 556479.6479 -1.4188 -1.6765 PRESSURE: 1309000 -30.6402 57.8607 -49.007 57.8616 215.61 -44.1926 -49.0075 -44.1927 206.906 GPRESSURE: 1309000 38.3425 -5.15971 -15.5344 95.5979 236.305 -114.271 -76.3347 45.3087 200 PRESSAVG: 1309000 -7.73303 8.70873 -47.0562 8.70885 73.0589 -23.7299 -47.0562 -23.7299 -6.23708 GPRESSAVG: 1309000 -7.63789 7.66164 -45.7057 9.74055 72.9029 -24.1316 -48.1587 -22.4182 -5.46244 TIMING: 1309000 CPU: 3938.72, 0.00306843/step Wall: 3938.72, 0.00306843/step, 3.146 hours remaining, 208.003906 MB of memory in use. ENERGY: 1309000 769.1236 2060.7232 1911.2723 108.8907 -206483.9929 18101.2549 0.0000 0.0000 34403.8456 -149128.8826 300.4573 -183532.7282 -149038.3469 299.4159 130.6253 158.2160 558743.3326 19.6963 19.9342 PRESSURE: 1309200 -29.5733 -74.2155 55.0066 -74.2145 -23.8435 -127.648 55.0076 -127.648 -235.535 GPRESSURE: 1309200 -23.5615 -181.24 67.87 -18.7679 7.56424 -32.8185 28.8213 -199.447 -181.405 PRESSAVG: 1309200 -29.0711 -3.33929 -35.3717 -3.33927 17.9555 -22.1463 -35.3717 -22.1462 27.6109 GPRESSAVG: 1309200 -30.047 -2.95551 -36.8712 -5.89922 18.717 -20.0492 -32.6083 -24.3123 28.2788 TIMING: 1309200 CPU: 3939.32, 0.00303973/step Wall: 3939.32, 0.00303973/step, 3.1164 hours remaining, 208.003906 MB of memory in use. ENERGY: 1309200 752.1673 2104.3728 1936.1222 124.4261 -206163.8802 17923.2290 0.0000 0.0000 34328.5434 -148995.0194 299.7997 -183323.5628 -148892.9801 300.0495 -96.3173 -65.8007 558116.3998 5.4984 5.6496 PRESSURE: 1309400 -284.32 92.5115 1.98269 92.5126 112.854 -14.3546 1.98376 -14.3548 228.738 GPRESSURE: 1309400 -235.74 146.209 -111.901 123.596 156.709 -55.207 36.0997 36.6452 226.047 PRESSAVG: 1309400 -114.715 -11.0501 -1.98321 -11.0501 51.0208 10.2245 -1.98311 10.2246 102.05 GPRESSAVG: 1309400 -114.864 -11.6056 -3.25627 -8.604 51.1012 9.71392 -1.57357 10.8973 101.718 TIMING: 1309400 CPU: 3939.93, 0.00302893/step Wall: 3939.93, 0.00302893/step, 3.10516 hours remaining, 208.003906 MB of memory in use. ENERGY: 1309400 772.7310 2143.5387 1925.7043 117.1874 -206136.6213 17791.6421 0.0000 0.0000 34301.3248 -149084.4930 299.5620 -183385.8177 -148990.5522 299.5925 19.0910 49.0054 557605.6484 12.7853 12.6517 PRESSURE: 1309600 128.058 53.0607 -32.4325 53.0587 195.866 -44.3033 -32.434 -44.3026 -64.6991 GPRESSURE: 1309600 210.282 38.6264 37.7354 9.72637 209.393 47.521 -53.7326 -79.2581 -58.2154 PRESSAVG: 1309600 -27.1732 -24.8653 38.7386 -24.8653 60.1828 8.49339 38.7386 8.49334 -93.3767 GPRESSAVG: 1309600 -26.6404 -23.0136 41.3162 -27.8764 60.6971 8.21482 37.3409 8.75729 -94.8908 TIMING: 1309600 CPU: 3940.54, 0.00304848/step Wall: 3940.54, 0.00304848/step, 3.12504 hours remaining, 208.003906 MB of memory in use. ENERGY: 1309600 695.5879 2158.0540 1908.8558 118.2130 -206065.8891 17915.6132 0.0000 0.0000 34216.2263 -149053.3389 298.8188 -183269.5652 -148958.9860 298.9680 86.4081 120.4865 557204.3990 -20.1224 -20.2780 PRESSURE: 1309800 -95.6999 25.2377 -10.5213 25.2375 81.6374 4.4676 -10.5216 4.46801 68.4144 GPRESSURE: 1309800 -41.8788 0.994227 -45.46 37.6076 94.9921 17.5119 43.8987 87.378 115.608 PRESSAVG: 1309800 -49.8365 -6.92009 -3.63143 -6.92006 63.6174 -46.769 -3.63137 -46.769 10.0531 GPRESSAVG: 1309800 -50.5908 -8.85007 -4.26772 -7.30066 62.6633 -46.0997 -5.02787 -46.4219 11.3784 TIMING: 1309800 CPU: 3941.15, 0.00305163/step Wall: 3941.15, 0.00305163/step, 3.12809 hours remaining, 208.003906 MB of memory in use. ENERGY: 1309800 754.4947 2164.6050 1903.9090 103.4922 -206098.6819 17857.2843 0.0000 0.0000 34389.3994 -148925.4974 300.3312 -183314.8967 -148827.6494 299.5014 18.1173 56.2404 557338.8859 7.9447 7.8170 PRESSURE: 1310000 63.2117 23.0356 -42.4632 23.0349 -178.618 85.9831 -42.4648 85.9826 -36.4104 GPRESSURE: 1310000 115.394 78.2062 -61.0133 -11.9287 -139.641 18.8317 -18.5854 65.0559 -30.5829 PRESSAVG: 1310000 70.7961 1.86691 -5.51119 1.86682 -3.0439 -54.2211 -5.5112 -54.2212 -2.10097 GPRESSAVG: 1310000 71.2683 1.74501 -6.40285 3.18219 -2.18457 -55.2126 -3.82295 -52.6736 -3.33724 TIMING: 1310000 CPU: 3941.76, 0.00307247/step Wall: 3941.76, 0.00307247/step, 3.14929 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: 1310000 768.9044 2113.0135 1929.1848 121.2195 -205901.9347 17753.4184 0.0000 0.0000 34186.6388 -149029.5554 298.5604 -183216.1942 -148936.9833 300.3381 -50.6056 -18.2766 557107.1624 21.8838 21.9155 PRESSURE: 1310200 -51.2438 0.418402 65.116 0.418618 124.449 83.8564 65.1156 83.8562 138.101 GPRESSURE: 1310200 -3.72885 114.99 -6.16978 -52.4053 187.48 120.224 -10.7498 94.4066 130.999 PRESSAVG: 1310200 -40.5739 -10.3267 -3.6412 -10.3268 -67.0837 33.7737 -3.64117 33.7737 32.1422 GPRESSAVG: 1310200 -40.5646 -8.8836 -1.85957 -9.58983 -67.7048 33.8955 -5.33829 33.0877 32.8736 TIMING: 1310200 CPU: 3942.37, 0.0030262/step Wall: 3942.37, 0.0030262/step, 3.10169 hours remaining, 208.003906 MB of memory in use. ENERGY: 1310200 769.8051 2121.6045 1915.2568 107.9149 -206210.4512 18045.6796 0.0000 0.0000 34210.3669 -149039.8234 298.7676 -183250.1903 -148945.3413 299.6817 70.4354 104.9165 557683.6954 -25.1718 -25.1319 PRESSURE: 1310400 -96.565 91.9891 66.6031 91.9885 114.589 113.389 66.6033 113.389 -106.995 GPRESSURE: 1310400 -21.3475 98.4423 -60.2222 40.8787 94.1117 58.3166 47.1147 159.975 -53.9542 PRESSAVG: 1310400 -0.914373 24.7104 -3.3258 24.7104 17.1311 53.2708 -3.32569 53.2707 6.10186 GPRESSAVG: 1310400 -1.37619 24.0662 -5.2214 25.124 17.6998 56.368 -1.1402 49.8401 6.41497 TIMING: 1310400 CPU: 3942.97, 0.00302545/step Wall: 3942.97, 0.00302545/step, 3.10075 hours remaining, 208.003906 MB of memory in use. ENERGY: 1310400 732.7474 2062.9174 1940.0433 115.3347 -205937.6672 17679.1107 0.0000 0.0000 34332.6688 -149074.8450 299.8357 -183407.5137 -148982.2018 299.8375 -29.6569 6.2700 557760.6695 7.4395 7.5795 PRESSURE: 1310600 -89.1792 -34.9278 -31.9758 -34.9279 -164.482 -4.66646 -31.9755 -4.66618 33.5996 GPRESSURE: 1310600 -3.00604 46.6016 4.03396 -65.7196 -153.399 17.086 -69.3011 -24.8442 39.5076 PRESSAVG: 1310600 -26.0567 17.9027 47.5153 17.9027 -8.65126 -3.96404 47.5153 -3.96403 6.35335 GPRESSAVG: 1310600 -24.53 19.4562 46.412 15.2957 -9.1404 -7.34077 47.5621 1.01246 5.26889 TIMING: 1310600 CPU: 3943.58, 0.00304442/step Wall: 3943.58, 0.00304442/step, 3.12003 hours remaining, 208.003906 MB of memory in use. ENERGY: 1310600 767.1312 2087.4717 1917.9906 103.1950 -205942.1649 17691.6034 0.0000 0.0000 34335.8354 -149038.9377 299.8634 -183374.7731 -148941.7240 299.1504 -73.3537 -38.9657 557700.0696 -9.4515 -9.4672 PRESSURE: 1310800 66.0859 -107.987 -179.837 -107.988 42.7428 48.5143 -179.838 48.5155 104.082 GPRESSURE: 1310800 125.479 -5.33489 -142.412 -164.165 55.5623 49.6437 -196.02 -17.7819 142.348 PRESSAVG: 1310800 -3.52068 2.287 -3.13313 2.28707 -4.85661 41.5489 -3.13305 41.549 11.4918 GPRESSAVG: 1310800 -4.51495 0.21084 -2.45779 3.40214 -6.26469 42.313 -2.43004 40.2853 14.1747 TIMING: 1310800 CPU: 3944.19, 0.00302372/step Wall: 3944.19, 0.00302372/step, 3.09864 hours remaining, 208.003906 MB of memory in use. ENERGY: 1310800 680.5568 2027.0766 1929.7026 111.4181 -205936.1689 17720.7997 0.0000 0.0000 34423.7425 -149042.8727 300.6311 -183466.6152 -148936.6528 300.1480 70.9702 107.7964 557269.7016 1.0382 1.1317 PRESSURE: 1311000 202.774 74.8894 129.923 74.8888 -155.156 -104.851 129.921 -104.851 -139.054 GPRESSURE: 1311000 255.978 91.1391 193.035 17.4017 -146.974 -109.443 112.976 -73.7162 -105.612 PRESSAVG: 1311000 11.4303 -5.69486 -0.358874 -5.69486 47.3082 -40.2242 -0.358807 -40.2242 -36.9303 GPRESSAVG: 1311000 11.2902 -6.22151 1.182 -3.20413 48.5451 -40.4768 -3.04898 -40.8234 -38.3058 TIMING: 1311000 CPU: 3944.79, 0.00301884/step Wall: 3944.79, 0.00301884/step, 3.09347 hours remaining, 208.003906 MB of memory in use. ENERGY: 1311000 720.6328 2121.8849 1906.3401 121.9149 -205443.3697 17380.6822 0.0000 0.0000 34223.4759 -148968.4389 298.8821 -183191.9148 -148870.3040 299.6965 -30.4788 1.1308 556130.1329 7.2694 7.1765 PRESSURE: 1311200 -139.946 -120.291 -91.9259 -120.292 63.2865 5.96288 -91.9261 5.96378 -146.66 GPRESSURE: 1311200 -132.363 -56.8102 -136.587 -137.374 129.203 52.5501 -56.9083 -36.4047 -118.208 PRESSAVG: 1311200 -57.2967 -13.9812 9.7887 -13.9811 4.53246 -7.91615 9.78871 -7.91617 20.7843 GPRESSAVG: 1311200 -57.6271 -10.8578 9.02481 -17.4641 4.99993 -5.41127 11.4575 -9.39114 20.7802 TIMING: 1311200 CPU: 3945.39, 0.00298769/step Wall: 3945.39, 0.00298769/step, 3.06139 hours remaining, 208.003906 MB of memory in use. ENERGY: 1311200 776.3783 2084.5048 1916.5056 123.1630 -206117.1959 17731.6984 0.0000 0.0000 34376.0065 -149108.9392 300.2142 -183484.9458 -149011.0453 300.2250 -74.4399 -40.4562 558265.8692 -10.6600 -10.6157 PRESSURE: 1311400 -101.862 -72.4193 7.39613 -72.4192 -170.227 138.774 7.39527 138.776 -3.72672 GPRESSURE: 1311400 -64.7255 -48.1789 11.0578 -14.4307 -123.082 240.74 16.2224 131.499 12.3491 PRESSAVG: 1311400 -59.7782 6.12271 -13.2156 6.12275 64.1355 -16.0133 -13.2156 -16.0133 -12.9432 GPRESSAVG: 1311400 -58.0324 2.94214 -12.5519 9.9341 63.7895 -17.5452 -14.637 -16.1791 -14.435 TIMING: 1311400 CPU: 3945.99, 0.00300544/step Wall: 3945.99, 0.00300544/step, 3.07941 hours remaining, 208.003906 MB of memory in use. ENERGY: 1311400 796.4331 2121.3050 1932.7256 117.7433 -206137.4797 17735.3983 0.0000 0.0000 34488.0527 -148945.8218 301.1927 -183433.8745 -148853.8423 299.8313 -91.9386 -58.4860 557359.7791 -2.8620 -2.8926 PRESSURE: 1311600 -143.329 -136.6 -120.2 -136.601 209.122 -51.5795 -120.2 -51.5798 -121.645 GPRESSURE: 1311600 -125.018 -192.067 -99.562 -90.5221 209.157 -31.4514 -104.167 0.525112 -39.0777 PRESSAVG: 1311600 -5.90021 -41.0451 24.2244 -41.0451 1.26409 -16.3423 24.2243 -16.3423 4.82661 GPRESSAVG: 1311600 -6.85342 -39.7375 22.8282 -43.1474 2.16475 -17.9319 26.5252 -15.1242 5.17182 TIMING: 1311600 CPU: 3946.58, 0.00294938/step Wall: 3946.58, 0.00294938/step, 3.02181 hours remaining, 208.003906 MB of memory in use. ENERGY: 1311600 742.0276 2118.6867 1911.5085 112.5511 -205914.3232 17637.5295 0.0000 0.0000 34400.8250 -148991.1949 300.4310 -183392.0199 -148892.9082 300.0424 -18.6172 15.0205 556473.4135 0.0635 0.1611 PRESSURE: 1311800 27.0248 -55.8661 224.32 -55.8662 -270.195 137.387 224.32 137.385 10.9387 GPRESSURE: 1311800 49.3026 -88.0533 177.893 22.7316 -187.55 18.9452 212.971 179.05 7.11386 PRESSAVG: 1311800 44.6066 -14.6768 16.94 -14.6767 20.2237 9.69624 16.94 9.69629 -11.5606 GPRESSAVG: 1311800 43.8557 -13.3916 16.88 -15.2592 19.0335 9.28984 17.6431 10.1044 -9.73495 TIMING: 1311800 CPU: 3947.18, 0.00299871/step Wall: 3947.18, 0.00299871/step, 3.07218 hours remaining, 208.003906 MB of memory in use. ENERGY: 1311800 741.7563 2037.5972 1928.1923 105.2083 -205881.1621 17677.0985 0.0000 0.0000 34461.9129 -148929.3966 300.9645 -183391.3095 -148827.8804 300.2217 -77.4104 -43.7111 557979.7687 17.7566 17.7181 PRESSURE: 1312000 -178.409 -38.1315 122.625 -38.1288 -31.876 12.1508 122.626 12.1509 -0.6168 GPRESSURE: 1312000 -157.179 -65.2074 161.697 -46.7453 -20.5233 83.5896 15.3101 -18.4658 54.4922 PRESSAVG: 1312000 22.4037 4.87162 35.9635 4.87165 -77.6186 -0.454255 35.9634 -0.454205 69.2423 GPRESSAVG: 1312000 23.295 4.82301 35.5703 5.67598 -76.9848 0.217036 34.8123 -1.52376 67.6199 TIMING: 1312000 CPU: 3947.79, 0.00303876/step Wall: 3947.79, 0.00303876/step, 3.11304 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: 1312000 785.3572 2098.3351 1921.7501 118.1323 -206253.6255 17722.8653 0.0000 0.0000 34402.0522 -149205.1334 300.4417 -183607.1855 -149109.8862 299.8858 -70.3006 -41.0700 558189.4035 4.6758 4.6434 PRESSURE: 1312200 280.189 108.513 -7.32782 108.513 -30.7423 23.2949 -7.32813 23.2961 95.291 GPRESSURE: 1312200 308.223 190.347 -0.0246934 42.0335 30.0371 -42.7656 -35.441 31.8516 95.7998 PRESSAVG: 1312200 -13.501 3.28172 -26.2706 3.28166 22.8782 -6.42522 -26.2706 -6.42527 -16.6838 GPRESSAVG: 1312200 -14.7404 2.62261 -24.873 2.91549 23.5564 -5.3987 -26.1421 -6.63053 -16.1147 TIMING: 1312200 CPU: 3948.39, 0.00301303/step Wall: 3948.39, 0.00301303/step, 3.08651 hours remaining, 208.003906 MB of memory in use. ENERGY: 1312200 722.9347 2136.0130 1897.4824 135.0480 -206398.3826 17879.1389 0.0000 0.0000 34257.2059 -149370.5598 299.1767 -183627.7657 -149281.5358 298.9854 114.9125 144.6866 556596.6118 -2.4355 -2.4329 LDB: ============= START OF LOAD BALANCING ============== 3951.9 LDB: ============== END OF LOAD BALANCING =============== 3951.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3951.91 LDB: ============= START OF LOAD BALANCING ============== 3952.21 LDB: Largest compute 4800 load 0.028460 is 24.1% of average load 0.117851 LDB: Average compute 0.001756 is 1.5% of average load 0.117851 LDB: TIME 3952.21 LOAD: AVG 0.117851 MAX 0.211396 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.906 MB LDB: TIME 3952.21 LOAD: AVG 0.117851 MAX 0.211396 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.109 MB LDB: TIME 3952.21 LOAD: AVG 0.117851 MAX 0.211396 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.109 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3952.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3952.22 PRESSURE: 1312400 -102.876 -50.1617 -104.821 -50.1625 -169.122 103.674 -104.819 103.674 -351.923 GPRESSURE: 1312400 -15.9015 -101.75 -135.018 -19.2902 -140.463 77.4673 -77.4922 47.1714 -375.35 PRESSAVG: 1312400 -44.7953 21.8717 -82.2952 21.8719 -44.9494 34.3019 -82.2953 34.3018 42.639 GPRESSAVG: 1312400 -43.998 21.6797 -84.1758 22.8159 -44.4592 32.8406 -81.1805 34.4317 41.4841 TIMING: 1312400 CPU: 3949, 0.00304676/step Wall: 3949, 0.00304676/step, 3.1209 hours remaining, 206.906250 MB of memory in use. ENERGY: 1312400 752.6519 2026.3553 1937.2644 121.3568 -205744.7732 17469.4747 0.0000 0.0000 33923.1565 -149514.5136 296.2594 -183437.6702 -149425.2101 298.8532 -207.9736 -177.2383 558058.1199 -15.7019 -15.6577 PRESSURE: 1312600 196.393 -94.1547 155.502 -94.1544 166.827 -25.0159 155.502 -25.0183 -323.669 GPRESSURE: 1312600 221.424 -0.288027 128.337 -76.5063 201.107 -34.4463 164.51 32.6191 -287.834 PRESSAVG: 1312600 27.5427 -13.6091 42.0909 -13.6091 13.6885 19.0524 42.091 19.0523 -43.6981 GPRESSAVG: 1312600 26.8366 -12.8963 43.0612 -13.8566 13.8635 19.9339 40.9601 20.9182 -42.9174 TIMING: 1312600 CPU: 3949.6, 0.00300317/step Wall: 3949.6, 0.00300317/step, 3.07608 hours remaining, 207.109375 MB of memory in use. ENERGY: 1312600 756.1680 2106.9010 1902.1269 104.3764 -206335.7183 17815.4960 0.0000 0.0000 34187.2261 -149463.4237 298.5655 -183650.6498 -149371.3438 298.8856 13.1836 44.8990 556049.8894 -0.8223 -0.7391 PRESSURE: 1312800 34.5011 -97.3192 63.9422 -97.3174 0.608023 -66.3571 63.9421 -66.3577 -183.764 GPRESSURE: 1312800 56.0043 -77.87 135.988 -106.778 -11.9313 -64.5378 -23.6467 -3.271 -107.181 PRESSAVG: 1312800 -24.8443 0.913454 11.3602 0.913513 85.0868 30.6408 11.3603 30.6409 -69.3317 GPRESSAVG: 1312800 -24.2609 1.82895 12.7463 0.143672 83.7225 32.4603 11.0974 28.8269 -68.8446 TIMING: 1312800 CPU: 3950.2, 0.00298016/step Wall: 3950.2, 0.00298016/step, 3.05234 hours remaining, 207.109375 MB of memory in use. ENERGY: 1312800 725.1145 2025.3398 1942.6740 117.1765 -206168.7767 17683.9334 0.0000 0.0000 34216.8123 -149457.7263 298.8239 -183674.5386 -149362.8959 298.8163 -49.5516 -21.0359 554961.5818 -3.0297 -3.1277 PRESSURE: 1313000 -284.334 149.719 -120.346 149.72 -102.877 -38.3176 -120.346 -38.3156 -270.929 GPRESSURE: 1313000 -213.603 189.316 -108.846 148.393 -107.556 19.2112 -26.9888 -44.5718 -249.035 PRESSAVG: 1313000 61.0379 39.968 -6.71082 39.968 38.4438 -16.0844 -6.71077 -16.0843 -76.8141 GPRESSAVG: 1313000 61.209 37.4042 -8.36226 40.6293 37.7914 -18.1253 -5.72349 -14.6081 -76.8433 TIMING: 1313000 CPU: 3950.8, 0.00303363/step Wall: 3950.8, 0.00303363/step, 3.10695 hours remaining, 207.109375 MB of memory in use. ENERGY: 1313000 763.7318 2055.8736 1940.8450 115.4186 -205667.7198 17374.2075 0.0000 0.0000 34102.8023 -149314.8411 297.8283 -183417.6434 -149222.3499 298.8400 -219.3803 -190.0648 556527.3370 7.5559 7.3857 PRESSURE: 1313200 76.5576 32.0834 5.0951 32.0816 107.571 23.3612 5.09451 23.3612 120.192 GPRESSURE: 1313200 125.974 80.6501 -48.5325 70.546 156.875 33.3498 14.9067 -20.4042 114.605 PRESSAVG: 1313200 -3.32229 14.4028 12.3228 14.4028 5.64705 7.98157 12.3227 7.98155 -22.8527 GPRESSAVG: 1313200 -3.75395 14.7517 13.0275 15.2741 6.5639 7.61687 11.8944 6.64377 -22.9631 TIMING: 1313200 CPU: 3951.41, 0.0030096/step Wall: 3951.41, 0.0030096/step, 3.08217 hours remaining, 207.109375 MB of memory in use. ENERGY: 1313200 706.5314 2110.0619 1898.1661 116.0354 -206242.6307 17759.5787 0.0000 0.0000 34499.9051 -149152.3522 301.2963 -183652.2573 -149050.8372 298.7882 101.4401 132.4847 557027.3763 -6.8426 -6.7177 PRESSURE: 1313400 75.7253 -23.7828 176.856 -23.7833 181.914 17.3002 176.856 17.3001 1.23655 GPRESSURE: 1313400 78.0097 9.1409 133.394 47.1793 233.944 32.9243 112.333 8.17377 36.5102 PRESSAVG: 1313400 -6.75581 53.6707 6.47085 53.6708 -10.8766 -2.06816 6.47088 -2.06813 16.5931 GPRESSAVG: 1313400 -6.18334 55.1688 6.77356 52.2102 -11.2308 -1.932 6.90855 -3.01523 16.4553 TIMING: 1313400 CPU: 3952.01, 0.0030109/step Wall: 3952.01, 0.0030109/step, 3.08333 hours remaining, 207.109375 MB of memory in use. ENERGY: 1313400 748.1069 2080.8354 1933.9517 121.1967 -206134.8705 17985.9954 0.0000 0.0000 34042.5162 -149222.2682 297.3018 -183264.7844 -149133.3478 298.7495 86.2919 116.1546 558068.3308 -0.3465 -0.3196 PRESSURE: 1313600 100.259 6.24878 -118.754 6.24896 -339.785 87.1409 -118.753 87.1404 10.9539 GPRESSURE: 1313600 66.4527 105.61 -89.5289 -8.78164 -221.98 45.9694 -90.9352 100.191 28.1439 PRESSAVG: 1313600 109.654 -82.963 -2.4641 -82.963 -17.6935 43.1363 -2.46409 43.1363 -79.52 GPRESSAVG: 1313600 110.267 -83.4123 -3.76355 -83.8835 -17.449 43.5084 -4.19771 45.1285 -80.3346 TIMING: 1313600 CPU: 3952.61, 0.0029976/step Wall: 3952.61, 0.0029976/step, 3.06954 hours remaining, 207.109375 MB of memory in use. ENERGY: 1313600 735.7800 2073.5985 1921.3413 111.5013 -206287.9134 17887.6397 0.0000 0.0000 34259.1280 -149298.9245 299.1935 -183558.0526 -149201.7958 298.9375 -76.1907 -42.4612 558634.4582 4.1469 4.1612 PRESSURE: 1313800 98.6513 164.82 -68.005 164.821 363.226 32.3894 -68.006 32.3903 11.9196 GPRESSURE: 1313800 117.326 71.3328 -78.4633 181.78 407.371 -21.6947 -38.4134 26.1318 41.2475 PRESSAVG: 1313800 15.8145 10.3456 -17.6952 10.3456 -12.3915 13.5813 -17.6952 13.5813 -20.5573 GPRESSAVG: 1313800 14.059 9.42564 -16.3762 10.1244 -10.8729 14.889 -16.4885 13.4931 -20.2477 TIMING: 1313800 CPU: 3953.21, 0.00299432/step Wall: 3953.21, 0.00299432/step, 3.06602 hours remaining, 207.109375 MB of memory in use. ENERGY: 1313800 737.3074 2082.6496 1900.5921 120.9348 -206789.8132 18193.9975 0.0000 0.0000 34462.7117 -149291.6200 300.9714 -183754.3317 -149197.5333 299.1795 157.9321 188.6483 557538.5210 -5.7114 -5.6872 PRESSURE: 1314000 -27.1159 -96.8983 -76.9976 -96.8973 -296.051 177.271 -76.9977 177.269 -207.121 GPRESSURE: 1314000 24.3395 -48.6836 -38.1533 -132.68 -244.46 225.227 -167.41 25.5696 -206.655 PRESSAVG: 1314000 -21.1783 21.4713 -69.4435 21.4712 38.927 7.82002 -69.4436 7.81995 -9.53154 GPRESSAVG: 1314000 -20.3743 21.5776 -68.9234 23.7189 37.531 8.24344 -71.5569 6.44328 -8.77506 TIMING: 1314000 CPU: 3953.81, 0.00301243/step Wall: 3953.81, 0.00301243/step, 3.08439 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: 1314000 740.7153 2141.5872 1924.9171 97.0555 -205784.3391 17718.3977 0.0000 0.0000 33998.0603 -149163.6062 296.9135 -183161.6665 -149071.5995 298.8694 -176.7629 -142.2585 558950.6841 2.7391 2.7939 PRESSURE: 1314200 274.323 38.1728 -65.4914 38.1722 32.4422 -88.9965 -65.4911 -88.997 -135.633 GPRESSURE: 1314200 344.17 14.1983 -34.1324 -66.0222 45.5073 -29.4797 -138.665 -59.2211 -119.572 PRESSAVG: 1314200 -6.39088 52.0707 5.21093 52.0708 44.3326 1.71944 5.21096 1.71944 -15.2839 GPRESSAVG: 1314200 -5.01504 52.6294 4.90277 51.4517 44.4195 0.646138 6.44218 3.24977 -16.6083 TIMING: 1314200 CPU: 3954.42, 0.00304179/step Wall: 3954.42, 0.00304179/step, 3.11429 hours remaining, 207.109375 MB of memory in use. ENERGY: 1314200 728.8671 2152.7943 1915.7107 109.8493 -206154.8819 17897.5796 0.0000 0.0000 34199.1456 -149150.9353 298.6696 -183350.0809 -149057.7801 298.5513 57.0440 90.0351 557638.2905 7.5526 7.5987 PRESSURE: 1314400 -42.2586 127.777 -23.3957 127.776 312.847 -185.505 -23.3964 -185.504 195.818 GPRESSURE: 1314400 15.6203 98.6472 28.1988 -22.0353 345.865 -171.57 -48.3028 -121.935 185.166 PRESSAVG: 1314400 43.671 39.3191 10.3131 39.319 47.8359 -21.5632 10.313 -21.5634 -57.9785 GPRESSAVG: 1314400 42.6966 38.8634 9.53268 36.6193 48.1005 -20.5144 9.98802 -19.9157 -57.3524 TIMING: 1314400 CPU: 3955.03, 0.00304723/step Wall: 3955.03, 0.00304723/step, 3.11969 hours remaining, 207.109375 MB of memory in use. ENERGY: 1314400 729.4862 2133.0669 1916.3404 120.3734 -206434.2954 18048.4574 0.0000 0.0000 34312.3670 -149174.2042 299.6584 -183486.5712 -149083.4963 299.3692 155.4688 182.2169 556349.8119 11.1761 11.1482 PRESSURE: 1314600 187.037 67.37 -29.6272 67.3699 66.0841 134.519 -29.6268 134.519 74.7182 GPRESSURE: 1314600 242.908 42.9111 -39.8988 126.945 56.9782 145.237 -109.211 70.4193 135.415 PRESSAVG: 1314600 20.8826 -1.04264 5.97634 -1.04266 66.3376 31.8656 5.97639 31.8655 -63.0419 GPRESSAVG: 1314600 20.8056 -1.95922 6.29482 1.92283 66.3443 30.2116 6.22222 29.6658 -62.7695 TIMING: 1314600 CPU: 3955.62, 0.00299256/step Wall: 3955.62, 0.00299256/step, 3.06355 hours remaining, 207.109375 MB of memory in use. ENERGY: 1314600 727.1555 2103.7469 1932.5212 126.6725 -206338.7081 17903.0981 0.0000 0.0000 34229.8148 -149315.6989 298.9375 -183545.5137 -149217.8562 299.1934 109.2799 145.1004 556369.7042 8.0594 8.1268 PRESSURE: 1314800 -33.6354 34.8811 -76.5945 34.8818 -172.704 -242.648 -76.5942 -242.647 111.734 GPRESSURE: 1314800 -75.0273 7.68803 -110.973 78.1897 -81.8889 -262.644 -96.6434 -339.94 160.005 PRESSAVG: 1314800 28.625 30.6246 1.57693 30.6247 -28.5417 -33.375 1.57689 -33.3749 13.3 GPRESSAVG: 1314800 28.3067 30.2688 1.40533 30.7967 -27.7215 -33.6373 2.59524 -32.5897 12.5398 TIMING: 1314800 CPU: 3956.23, 0.00303741/step Wall: 3956.23, 0.00303741/step, 3.10929 hours remaining, 207.109375 MB of memory in use. ENERGY: 1314800 765.6005 2104.4731 1927.1921 98.4609 -206429.1321 17769.8742 0.0000 0.0000 34381.0594 -149382.4719 300.2583 -183763.5313 -149289.2237 299.9717 -31.5353 1.0296 556818.9021 4.4611 4.3750 PRESSURE: 1315000 144.013 171.396 -131.559 171.397 -100.353 33.2739 -131.559 33.273 -271.713 GPRESSURE: 1315000 200.907 104.164 -96.9418 161.609 -59.6936 -4.65638 -92.1309 146.662 -264.178 PRESSAVG: 1315000 16.0622 -9.66639 -37.7168 -9.66649 48.4364 34.0728 -37.7168 34.0728 -38.3693 GPRESSAVG: 1315000 16.8596 -8.13913 -36.5032 -11.1378 46.8641 34.3776 -39.0628 33.8508 -37.2635 TIMING: 1315000 CPU: 3956.84, 0.0030406/step Wall: 3956.84, 0.0030406/step, 3.11239 hours remaining, 207.109375 MB of memory in use. ENERGY: 1315000 727.2515 2123.6037 1922.6446 117.5410 -206144.6428 17606.1370 0.0000 0.0000 34137.1130 -149510.3520 298.1279 -183647.4649 -149417.8026 297.9448 -76.0174 -40.9884 556490.0693 8.7097 8.8201 PRESSURE: 1315200 14.9842 -77.5009 -17.8399 -77.5002 49.1346 13.3519 -17.8389 13.3501 34.4248 GPRESSURE: 1315200 114.027 -36.4967 -60.3852 -59.4446 45.621 -63.136 40.1747 74.6517 45.2573 PRESSAVG: 1315200 3.73275 -22.9777 -56.4032 -22.9776 47.3522 2.62812 -56.4031 2.6281 -68.7053 GPRESSAVG: 1315200 4.99733 -22.3036 -58.1729 -23.6947 47.4431 4.09407 -55.5912 -0.342715 -70.0922 TIMING: 1315200 CPU: 3957.45, 0.00304966/step Wall: 3957.45, 0.00304966/step, 3.1215 hours remaining, 207.109375 MB of memory in use. ENERGY: 1315200 677.0360 2092.5644 1943.8788 116.9694 -206503.3954 17897.8022 0.0000 0.0000 34357.2358 -149417.9089 300.0503 -183775.1447 -149322.8052 298.5920 32.8479 68.3019 557219.9092 -5.8734 -5.8839 PRESSURE: 1315400 -73.0255 25.5808 4.56332 25.5803 73.7864 -145.22 4.56323 -145.221 94.0684 GPRESSURE: 1315400 -51.0325 7.04389 -79.388 47.5293 139.902 -193.128 50.2105 -100.608 98.1504 PRESSAVG: 1315400 50.5391 15.1876 -12.2403 15.1876 0.214411 43.5671 -12.2403 43.5671 -76.2287 GPRESSAVG: 1315400 48.5713 13.9885 -12.0523 16.4558 0.861228 43.488 -12.9711 47.2692 -74.8971 TIMING: 1315400 CPU: 3958.05, 0.00300235/step Wall: 3958.05, 0.00300235/step, 3.07291 hours remaining, 207.109375 MB of memory in use. ENERGY: 1315400 713.2812 2082.1046 1920.9609 100.0350 -206477.8322 17959.3324 0.0000 0.0000 34183.4261 -149518.6920 298.5324 -183702.1181 -149412.7831 298.4762 31.6098 62.3401 558930.1990 -8.4917 -8.4882 PRESSURE: 1315600 -79.5542 -73.8231 -156.102 -73.8234 46.0989 46.7995 -156.101 46.7969 110.544 GPRESSURE: 1315600 -23.075 -116.011 -119.794 -42.5359 65.2011 99.4699 -156.662 17.4282 115.679 PRESSAVG: 1315600 -11.1538 16.1516 -43.1751 16.1517 9.15971 30.5685 -43.1751 30.5685 14.8951 GPRESSAVG: 1315600 -10.021 14.7416 -41.6299 14.0316 7.72621 29.8105 -43.0625 30.6275 14.7435 TIMING: 1315600 CPU: 3958.65, 0.00299073/step Wall: 3958.65, 0.00299073/step, 3.06085 hours remaining, 207.109375 MB of memory in use. ENERGY: 1315600 733.4605 2067.5620 1898.8037 112.5198 -206417.5929 18004.7531 0.0000 0.0000 34150.1334 -149450.3604 298.2416 -183600.4938 -149352.6072 298.9587 25.6962 52.6017 558043.4855 4.3003 4.1496 PRESSURE: 1315800 118.3 43.8765 -157.629 43.8753 120.088 38.2254 -157.631 38.2233 -28.7905 GPRESSURE: 1315800 136.845 -66.515 -133.794 57.8294 140.033 -70.0558 -183.071 45.473 31.9423 PRESSAVG: 1315800 23.5193 -13.4804 -36.1174 -13.4804 -27.8945 21.8384 -36.1174 21.8384 2.84765 GPRESSAVG: 1315800 22.3196 -12.5395 -36.218 -9.97872 -26.9931 22.5879 -36.3308 19.8321 3.10563 TIMING: 1315800 CPU: 3959.25, 0.00301371/step Wall: 3959.25, 0.00301371/step, 3.0842 hours remaining, 207.109375 MB of memory in use. ENERGY: 1315800 747.9434 2116.3298 1913.3958 111.1429 -206467.9130 18090.4694 0.0000 0.0000 34239.3673 -149249.2644 299.0209 -183488.6317 -149159.6865 299.0831 69.8657 102.9402 558744.5506 -0.5092 -0.5226 PRESSURE: 1316000 322.005 -188.87 -64.7875 -188.871 113.822 67.1753 -64.7879 67.1773 113.709 GPRESSURE: 1316000 307.749 -108.512 -85.397 -153.124 155.069 42.8862 -36.4234 132.666 175.54 PRESSAVG: 1316000 -16.4514 -12.2587 -42.7497 -12.2587 41.9204 -14.3692 -42.7498 -14.3692 -17.3279 GPRESSAVG: 1316000 -15.3167 -10.0042 -44.3752 -14.8045 40.221 -14.5278 -41.6934 -14.0906 -16.463 TIMING: 1316000 CPU: 3959.86, 0.00304746/step Wall: 3959.86, 0.00304746/step, 3.11857 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: 1316000 699.3930 2094.7415 1934.3270 106.5069 -206689.7805 18204.0272 0.0000 0.0000 34482.1642 -149168.6208 301.1413 -183650.7850 -149067.8477 298.9460 183.1785 212.7861 558081.1350 2.7137 2.8138 PRESSURE: 1316200 -48.5992 84.3081 48.8477 84.3089 -52.055 -90.5349 48.8482 -90.5341 -67.2694 GPRESSURE: 1316200 34.2825 32.8071 68.1147 76.1665 -74.2034 -98.6302 -14.3139 -51.7059 -25.1854 PRESSAVG: 1316200 -3.44919 29.275 -3.8487 29.275 -33.8865 21.3362 -3.84881 21.3363 13.2383 GPRESSAVG: 1316200 -2.8276 28.8239 -2.09061 28.7872 -33.4521 18.2019 -5.95555 23.0872 12.3888 TIMING: 1316200 CPU: 3960.47, 0.00302584/step Wall: 3960.47, 0.00302584/step, 3.09628 hours remaining, 207.109375 MB of memory in use. ENERGY: 1316200 753.2614 2109.9797 1920.6843 97.3380 -206242.6742 17769.9780 0.0000 0.0000 34342.2036 -149249.2293 299.9190 -183591.4329 -149154.1817 299.4351 -55.9746 -21.7021 556469.3651 -8.0325 -7.9636 LDB: ============= START OF LOAD BALANCING ============== 3963.99 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3963.99 LDB: =============== DONE WITH MIGRATION ================ 3963.99 LDB: ============= START OF LOAD BALANCING ============== 3964.29 LDB: Largest compute 4800 load 0.029375 is 24.9% of average load 0.117833 LDB: Average compute 0.001750 is 1.5% of average load 0.117833 LDB: TIME 3964.29 LOAD: AVG 0.117833 MAX 0.214259 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.168 MB LDB: TIME 3964.29 LOAD: AVG 0.117833 MAX 0.214259 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.371 MB LDB: TIME 3964.29 LOAD: AVG 0.117833 MAX 0.214259 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.371 MB LDB: ============== END OF LOAD BALANCING =============== 3964.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3964.29 PRESSURE: 1316400 -56.0511 32.2143 87.2854 32.2134 120.615 -48.2783 87.2843 -48.279 -84.282 GPRESSURE: 1316400 -53.7132 14.6892 98.0855 61.0545 156.533 -105.445 77.413 -10.3266 -24.2252 PRESSAVG: 1316400 8.8602 19.8395 -4.69778 19.8395 39.8481 14.0389 -4.69782 14.0388 -7.79596 GPRESSAVG: 1316400 9.22059 17.2155 -6.20321 21.6461 41.0246 15.7126 -2.04476 13.7873 -9.20306 TIMING: 1316400 CPU: 3961.08, 0.00305854/step Wall: 3961.08, 0.00305854/step, 3.12957 hours remaining, 208.390625 MB of memory in use. ENERGY: 1316400 747.4210 2121.7006 1927.4989 114.4159 -206033.6582 17806.4787 0.0000 0.0000 34192.5249 -149123.6182 298.6118 -183316.1431 -149025.7582 299.5666 -6.5727 26.1982 556320.2437 13.6375 13.6807 PRESSURE: 1316600 -269.31 -21.6956 -18.6865 -21.696 -67.131 51.9908 -18.6855 51.9908 152.643 GPRESSURE: 1316600 -224.656 -2.23178 -61.6359 -15.7537 -75.0896 64.1394 52.6771 63.762 210.816 PRESSAVG: 1316600 -45.6358 23.0466 -9.30186 23.0467 -22.6118 39.5107 -9.30183 39.5106 42.5602 GPRESSAVG: 1316600 -46.5916 24.9369 -8.76158 22.2632 -23.107 38.1474 -9.92486 39.4056 44.1606 TIMING: 1316600 CPU: 3961.68, 0.00301291/step Wall: 3961.68, 0.00301291/step, 3.08271 hours remaining, 208.402344 MB of memory in use. ENERGY: 1316600 778.3027 2152.1322 1932.7176 115.9341 -206087.4975 17634.8118 0.0000 0.0000 34432.5316 -149041.0674 300.7079 -183473.5990 -148945.1728 299.2832 -61.2661 -29.6433 556481.5869 -8.5625 -8.5127 PRESSURE: 1316800 -38.8442 -54.8478 -31.4089 -54.8473 -158.462 -16.7081 -31.4084 -16.7088 -162.493 GPRESSURE: 1316800 8.4703 10.9329 -29.7627 -109.885 -180.121 1.01514 -141.275 20.9388 -97.1939 PRESSAVG: 1316800 -12.9136 31.9399 -24.8333 31.9399 -19.865 36.9806 -24.8333 36.9806 10.7079 GPRESSAVG: 1316800 -13.8291 32.1609 -21.2943 30.8474 -19.4597 38.6593 -26.5544 36.1429 10.7467 TIMING: 1316800 CPU: 3962.28, 0.00299436/step Wall: 3962.28, 0.00299436/step, 3.06356 hours remaining, 208.402344 MB of memory in use. ENERGY: 1316800 756.3541 2152.3844 1931.8600 106.6823 -205613.9649 17533.0014 0.0000 0.0000 34257.9812 -148875.7016 299.1835 -183133.6827 -148775.7060 300.1088 -119.9330 -89.6148 558079.7871 -7.3569 -7.5140 PRESSURE: 1317000 -182.07 -41.0321 -39.4562 -41.0337 -15.0922 -146.411 -39.4563 -146.41 -26.0565 GPRESSURE: 1317000 -118.063 -47.6282 -67.8256 -50.1524 -27.2731 -160.86 -35.6287 -111.194 27.4549 PRESSAVG: 1317000 35.7407 32.9757 -36.3904 32.9756 6.19289 -7.2095 -36.3904 -7.20944 -51.5775 GPRESSAVG: 1317000 38.4314 32.7493 -37.7444 34.2448 4.70604 -7.64296 -35.337 -5.06569 -51.8609 TIMING: 1317000 CPU: 3962.88, 0.00301174/step Wall: 3962.88, 0.00301174/step, 3.08118 hours remaining, 208.402344 MB of memory in use. ENERGY: 1317000 747.1801 2090.8040 1921.9395 112.4539 -205727.9746 17635.1860 0.0000 0.0000 34168.8562 -149051.5549 298.4051 -183220.4111 -148953.4847 299.5492 -74.4061 -39.2936 557984.4787 -3.2146 -2.9078 PRESSURE: 1317200 12.9412 164.794 -67.3082 164.794 118.021 -170.359 -67.3093 -170.359 107.542 GPRESSURE: 1317200 64.0277 131.48 -55.8327 185.905 108.329 -123.408 -70.1127 -165.198 152.472 PRESSAVG: 1317200 -6.65489 89.7173 22.0206 89.7174 4.72271 21.8289 22.0206 21.8291 -4.15761 GPRESSAVG: 1317200 -7.6591 92.134 21.3705 87.3228 4.33528 22.8906 21.7599 20.2108 -3.40276 TIMING: 1317200 CPU: 3963.49, 0.00303233/step Wall: 3963.49, 0.00303233/step, 3.10208 hours remaining, 208.402344 MB of memory in use. ENERGY: 1317200 744.3656 2107.5700 1926.8445 121.2955 -205837.4039 17760.6680 0.0000 0.0000 34293.2042 -148883.4561 299.4911 -183176.6603 -148785.9951 299.9601 79.5014 108.2761 558239.7772 -2.0299 -2.2422 PRESSURE: 1317400 -21.3985 158.211 -20.9944 158.21 -123.064 -8.46231 -20.9948 -8.46169 -81.6206 GPRESSURE: 1317400 41.8649 163.482 6.093 145.482 -102.649 -20.4177 -30.4597 9.68524 -67.3613 PRESSAVG: 1317400 20.3198 -8.62938 -10.8593 -8.62948 -57.836 29.5451 -10.8593 29.5451 40.3288 GPRESSAVG: 1317400 20.6297 -12.2194 -11.7099 -6.35251 -56.1085 27.9942 -10.6069 30.2372 38.5552 TIMING: 1317400 CPU: 3964.09, 0.00301678/step Wall: 3964.09, 0.00301678/step, 3.086 hours remaining, 208.402344 MB of memory in use. ENERGY: 1317400 750.1900 2075.2569 1917.1137 108.7687 -205827.6818 17598.8296 0.0000 0.0000 34412.8783 -148964.6447 300.5362 -183377.5230 -148864.0453 299.8210 -75.3610 -42.7153 558205.7285 0.9375 1.0255 PRESSURE: 1317600 138.253 4.48652 101.24 4.48768 53.1487 10.9182 101.239 10.9181 235.207 GPRESSURE: 1317600 168.646 -99.3477 62.361 97.7671 83.5828 56.9381 45.3448 -70.8243 274.427 PRESSAVG: 1317600 48.9176 -29.8979 12.2931 -29.8979 -47.2959 7.53537 12.2932 7.5353 24.5255 GPRESSAVG: 1317600 48.4707 -31.2529 11.6727 -28.5365 -47.6292 8.28343 13.4263 6.07186 25.7904 TIMING: 1317600 CPU: 3964.7, 0.00302935/step Wall: 3964.7, 0.00302935/step, 3.09869 hours remaining, 208.402344 MB of memory in use. ENERGY: 1317600 695.3104 2098.3159 1942.5128 139.1216 -205871.2046 17738.4186 0.0000 0.0000 34405.5179 -148852.0074 300.4719 -183257.5253 -148754.0635 299.7149 142.2029 175.5519 557901.5803 8.7157 8.8773 PRESSURE: 1317800 -204.091 72.7237 118.73 72.7234 -220.844 84.7657 118.728 84.7674 -214.132 GPRESSURE: 1317800 -225.412 72.7425 54.1627 65.3791 -132.298 82.43 99.5481 105.838 -178.136 PRESSAVG: 1317800 -2.05744 10.37 20.4306 10.37 -21.7256 -1.16162 20.4305 -1.16169 39.6506 GPRESSAVG: 1317800 -3.74865 10.2007 21.406 9.80398 -20.5323 -2.69271 18.0235 0.68104 39.4207 TIMING: 1317800 CPU: 3965.29, 0.00298172/step Wall: 3965.29, 0.00298172/step, 3.0498 hours remaining, 208.402344 MB of memory in use. ENERGY: 1317800 760.0362 2075.3590 1947.5858 102.3785 -205477.8277 17501.4074 0.0000 0.0000 34255.5322 -148835.5285 299.1621 -183091.0608 -148739.8182 299.6598 -213.0225 -178.6155 559520.6538 5.2892 5.0466 PRESSURE: 1318000 -324.913 -12.3079 -77.5556 -12.3075 25.1976 12.6214 -77.5565 12.6216 113.619 GPRESSURE: 1318000 -243.054 -53.3907 -0.662785 52.8688 44.9571 90.0094 -33.1837 -82.0096 102.672 PRESSAVG: 1318000 -23.9974 -10.6768 -27.4215 -10.6769 -33.6602 7.08999 -27.4215 7.09004 61.7306 GPRESSAVG: 1318000 -22.6996 -9.98027 -25.7442 -9.51346 -34.9786 6.69824 -24.1176 5.72616 61.4336 TIMING: 1318000 CPU: 3965.89, 0.00300521/step Wall: 3965.89, 0.00300521/step, 3.07366 hours remaining, 208.402344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1318000 702.9979 2133.0192 1927.0159 117.0858 -205595.5079 17673.1275 0.0000 0.0000 34293.8318 -148748.4297 299.4966 -183042.2615 -148659.7278 300.4163 -62.0321 -31.8084 557715.3614 1.3576 1.2518 PRESSURE: 1318200 123.156 18.4431 19.9489 18.442 345.841 -70.8469 19.948 -70.8479 139.056 GPRESSURE: 1318200 148.202 22.8165 38.577 53.7417 385.982 -90.239 -16.5236 -25.4037 162.899 PRESSAVG: 1318200 -22.4412 34.4788 -58.3761 34.4788 -26.6958 12.7431 -58.3761 12.7431 36.3145 GPRESSAVG: 1318200 -23.3114 35.7464 -59.7387 32.4303 -25.3524 12.7876 -60.1316 13.3443 35.503 TIMING: 1318200 CPU: 3966.5, 0.00302992/step Wall: 3966.5, 0.00302992/step, 3.09877 hours remaining, 208.402344 MB of memory in use. ENERGY: 1318200 728.3187 2037.2083 1937.1678 106.7204 -206067.1444 18018.9253 0.0000 0.0000 34550.7209 -148688.0830 301.7400 -183238.8039 -148588.8889 301.3230 202.6842 232.3614 556593.9756 -4.2741 -4.3869 PRESSURE: 1318400 -192.584 -64.5643 185.523 -64.5637 -396.211 138.954 185.524 138.955 -317.969 GPRESSURE: 1318400 -113.38 -59.4265 178.006 -186.605 -400.773 217.031 247.67 7.23184 -290.261 PRESSAVG: 1318400 -7.43333 52.0087 -5.23233 52.0086 5.90698 -33.6231 -5.23231 -33.6232 22.2093 GPRESSAVG: 1318400 -7.22316 52.4753 -3.0719 52.2171 4.55856 -31.2809 -6.21684 -34.5868 22.6842 TIMING: 1318400 CPU: 3967.1, 0.00301128/step Wall: 3967.1, 0.00301128/step, 3.07953 hours remaining, 208.402344 MB of memory in use. ENERGY: 1318400 750.9005 2046.1000 1928.6186 115.1522 -205136.9920 17201.5202 0.0000 0.0000 34387.1213 -148707.5792 300.3113 -183094.7004 -148610.2967 300.8387 -302.2547 -268.1383 558327.2154 6.8943 6.6732 PRESSURE: 1318600 51.6257 -89.8511 -137.837 -89.8507 147.655 -13.8027 -137.837 -13.8011 -108.519 GPRESSURE: 1318600 117.691 -156.716 -13.8925 12.9091 203.058 43.1627 -163.396 -16.7931 -126.279 PRESSAVG: 1318600 24.4782 -13.9356 18.8345 -13.9355 -36.956 -26.9283 18.8345 -26.9283 27.7764 GPRESSAVG: 1318600 24.6881 -15.0983 15.9532 -12.6973 -36.3706 -26.5895 19.5747 -26.5833 27.2257 TIMING: 1318600 CPU: 3967.7, 0.00300853/step Wall: 3967.7, 0.00300853/step, 3.07656 hours remaining, 208.402344 MB of memory in use. ENERGY: 1318600 770.7401 2085.7641 1945.6243 109.9356 -205956.2927 17917.6140 0.0000 0.0000 34183.3315 -148943.2831 298.5315 -183126.6146 -148848.8036 300.3045 30.2537 64.8234 557261.9048 5.0995 5.1811 PRESSURE: 1318800 -67.8862 -126.016 -26.4924 -126.018 -143.537 -74.1364 -26.4935 -74.1361 33.8917 GPRESSURE: 1318800 -16.5994 -172.241 -22.4531 -91.0404 -129.914 -73.9576 -90.5813 -49.5497 77.5843 PRESSAVG: 1318800 -25.1569 -64.51 -28.0809 -64.51 -44.8176 -24.5644 -28.0809 -24.5645 23.8461 GPRESSAVG: 1318800 -24.3465 -64.5526 -27.8772 -65.2866 -44.1289 -26.0277 -27.3286 -23.3977 22.9056 TIMING: 1318800 CPU: 3968.3, 0.00298195/step Wall: 3968.3, 0.00298195/step, 3.04921 hours remaining, 208.402344 MB of memory in use. ENERGY: 1318800 752.7563 2104.6830 1943.2314 112.2921 -206048.1376 17701.6837 0.0000 0.0000 34366.6345 -149066.8566 300.1324 -183433.4911 -148969.1424 299.4951 -59.1773 -22.9765 556504.6235 -15.3761 -15.1899 PRESSURE: 1319000 -233.271 -108.708 -19.7006 -108.709 -450.057 166.445 -19.702 166.445 -109.81 GPRESSURE: 1319000 -183.917 -113.065 -7.08935 -131.73 -387.51 131.278 -42.8547 136.347 -129.324 PRESSAVG: 1319000 9.80212 -6.45222 -33.5703 -6.45216 -17.7223 -3.53507 -33.5703 -3.53504 35.5892 GPRESSAVG: 1319000 9.27919 -7.13259 -32.3924 -5.14709 -18.7277 -4.17306 -35.8198 -3.65172 37.3458 TIMING: 1319000 CPU: 3968.9, 0.00299407/step Wall: 3968.9, 0.00299407/step, 3.06144 hours remaining, 208.402344 MB of memory in use. ENERGY: 1319000 775.6094 2107.4401 1931.3371 108.2156 -205650.5667 17440.8613 0.0000 0.0000 34171.2530 -149115.8502 298.4261 -183287.1031 -149016.8149 300.1864 -264.3793 -233.5836 559184.2219 9.2230 9.2991 PRESSURE: 1319200 -163.257 -91.1732 -3.51541 -91.1744 -222.758 -21.8802 -3.51636 -21.8799 -70.9523 GPRESSURE: 1319200 -129.699 -52.3464 24.111 -11.4045 -182.345 -38.1566 54.2701 -64.8685 -52.912 PRESSAVG: 1319200 -12.1286 -37.4876 -6.4587 -37.4876 -58.1849 43.2151 -6.45868 43.215 27.0451 GPRESSAVG: 1319200 -11.2594 -35.0367 -7.10268 -39.6481 -58.685 44.0621 -2.86031 40.6393 27.1952 TIMING: 1319200 CPU: 3969.5, 0.00298053/step Wall: 3969.5, 0.00298053/step, 3.04743 hours remaining, 208.402344 MB of memory in use. ENERGY: 1319200 759.8817 2046.2248 1947.8873 120.0937 -205311.7827 17320.6729 0.0000 0.0000 34092.5280 -149024.4944 297.7385 -183117.0224 -148928.8206 300.1194 -152.3225 -121.6520 558174.4597 -14.4228 -14.2497 PRESSURE: 1319400 -254.681 -42.5817 170.017 -42.582 -176.73 -44.6312 170.016 -44.6319 -85.0361 GPRESSURE: 1319400 -194.088 -124.252 214.92 -41.4924 -187.464 -62.3735 240.107 -24.3428 -39.58 PRESSAVG: 1319400 -12.1224 25.6796 31.7171 25.6796 -24.135 -25.6711 31.7172 -25.6711 2.58429 GPRESSAVG: 1319400 -12.8842 25.8744 31.3883 24.5158 -23.3893 -26.4525 30.3476 -22.6472 2.65456 TIMING: 1319400 CPU: 3970.1, 0.0029965/step Wall: 3970.1, 0.0029965/step, 3.06359 hours remaining, 208.402344 MB of memory in use. ENERGY: 1319400 763.7156 2045.6135 1941.1959 108.3682 -205962.5991 17578.7129 0.0000 0.0000 34474.8920 -149050.1009 301.0778 -183524.9929 -148946.0089 300.1581 -172.1489 -140.3773 557306.6667 -11.2244 -11.2063 PRESSURE: 1319600 -110.928 62.9139 -3.68662 62.9138 57.6003 5.20161 -3.68466 5.20063 -84.7243 GPRESSURE: 1319600 -94.9349 144.712 36.7463 55.1922 74.9091 55.7795 -70.5156 -73.0726 -24.5149 PRESSAVG: 1319600 19.4719 38.0128 63.0252 38.0128 37.3518 -10.9478 63.0251 -10.9478 -48.5679 GPRESSAVG: 1319600 19.5877 35.4506 62.4177 42.5364 37.9425 -9.97375 64.2339 -12.2206 -49.6104 TIMING: 1319600 CPU: 3970.7, 0.00300535/step Wall: 3970.7, 0.00300535/step, 3.07247 hours remaining, 208.402344 MB of memory in use. ENERGY: 1319600 761.1177 2058.0883 1916.9019 105.2770 -205916.3390 17571.2898 0.0000 0.0000 34180.4739 -149323.1904 298.5066 -183503.6642 -149228.2478 299.0611 -46.0174 -14.8469 555439.6147 2.7519 2.6399 PRESSURE: 1319800 41.2338 -11.2292 -24.6469 -11.229 288.878 -19.527 -24.6462 -19.5277 57.3356 GPRESSURE: 1319800 92.9501 -28.0873 -6.4197 -41.7866 302.4 -35.0152 -18.2171 39.6523 83.5138 PRESSAVG: 1319800 60.1103 -20.327 52.3064 -20.327 3.95342 1.55199 52.3064 1.55194 -76.088 GPRESSAVG: 1319800 60.7088 -17.3377 52.885 -23.3751 3.27062 0.753943 51.174 0.0600533 -76.0825 TIMING: 1319800 CPU: 3971.3, 0.00303309/step Wall: 3971.3, 0.00303309/step, 3.10066 hours remaining, 208.402344 MB of memory in use. ENERGY: 1319800 722.6274 2015.5982 1931.6748 101.2305 -206094.3380 17817.4530 0.0000 0.0000 34071.6570 -149434.0973 297.5563 -183505.7543 -149338.0210 298.2484 129.1492 159.6213 554808.1119 -4.0081 -4.0344 PRESSURE: 1320000 -25.9226 41.9185 58.3597 41.9192 -203.842 -55.3353 58.3599 -55.3379 -226.129 GPRESSURE: 1320000 14.9121 -15.0453 91.9947 81.7811 -133.413 -92.6132 111.919 20.9624 -222.831 PRESSAVG: 1320000 -21.7973 45.2391 60.6944 45.2392 -11.0556 59.0863 60.6945 59.0862 5.73102 GPRESSAVG: 1320000 -21.6629 42.9567 61.9402 45.7436 -10.3539 59.8625 59.8112 60.1765 5.1832 TIMING: 1320000 CPU: 3971.9, 0.00299377/step Wall: 3971.9, 0.00299377/step, 3.0603 hours remaining, 208.402344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1320000 737.1174 2083.8901 1934.2423 108.9389 -205698.0849 17618.9831 0.0000 0.0000 33822.6941 -149392.2189 295.3820 -183214.9131 -149296.1878 298.5382 -151.9645 -113.7774 557308.0164 -9.0406 -8.9445 PRESSURE: 1320200 189.631 66.5419 68.7576 66.5428 -122.155 17.6102 68.7569 17.6114 -41.3476 GPRESSURE: 1320200 190.894 -9.55041 120.19 11.4889 -105.282 10.2249 113.688 56.729 36.1691 PRESSAVG: 1320200 2.1981 -18.1614 17.9248 -18.1614 91.4124 45.5955 17.9248 45.5956 -67.5428 GPRESSAVG: 1320200 1.2609 -17.9154 15.4657 -18.613 90.8744 45.2126 18.9364 46.4903 -66.0876 TIMING: 1320200 CPU: 3972.5, 0.00300208/step Wall: 3972.5, 0.00300208/step, 3.06862 hours remaining, 208.402344 MB of memory in use. ENERGY: 1320200 759.6269 2049.6254 1934.6415 109.1929 -206205.0067 17771.4973 0.0000 0.0000 34114.2778 -149466.1448 297.9285 -183580.4226 -149368.7029 298.2482 8.7095 40.5939 556600.2560 8.6892 8.6826 LDB: ============= START OF LOAD BALANCING ============== 3976.03 LDB: ============== END OF LOAD BALANCING =============== 3976.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3976.03 LDB: ============= START OF LOAD BALANCING ============== 3976.33 LDB: Largest compute 4800 load 0.030027 is 25.5% of average load 0.117836 LDB: Average compute 0.001746 is 1.5% of average load 0.117836 LDB: TIME 3976.33 LOAD: AVG 0.117836 MAX 0.213172 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.414 MB LDB: TIME 3976.33 LOAD: AVG 0.117836 MAX 0.213172 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.617 MB LDB: TIME 3976.33 LOAD: AVG 0.117836 MAX 0.213172 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.617 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3976.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3976.34 PRESSURE: 1320400 -14.3161 110.465 88.9388 110.464 -100.541 -38.918 88.939 -38.9193 25.177 GPRESSURE: 1320400 62.3469 97.83 115.34 54.4954 -42.351 -68.8899 -4.22738 34.7413 12.7873 PRESSAVG: 1320400 1.11305 15.4643 74.9862 15.4642 36.3946 -27.689 74.9863 -27.689 -23.2382 GPRESSAVG: 1320400 1.67648 15.1928 75.6862 15.4972 36.7748 -25.1992 74.3069 -29.6294 -24.6253 TIMING: 1320400 CPU: 3973.12, 0.00309308/step Wall: 3973.12, 0.00309308/step, 3.16147 hours remaining, 207.550781 MB of memory in use. ENERGY: 1320400 689.8912 2063.7115 1939.9297 118.0820 -206295.8558 17899.3062 0.0000 0.0000 33986.0418 -149598.8934 296.8086 -183584.9352 -149503.6716 298.7527 -29.8933 10.9277 557245.8958 4.7565 4.6087 PRESSURE: 1320600 -75.7189 16.5842 82.6576 16.5835 -100.311 -3.41558 82.6562 -3.4152 -24.8253 GPRESSURE: 1320600 -16.5603 71.4632 116.185 -50.7198 -62.2664 12.3341 150.796 12.9444 -14.5315 PRESSAVG: 1320600 -18.791 -22.6709 79.1476 -22.671 -3.86068 -33.7896 79.1475 -33.7897 6.31959 GPRESSAVG: 1320600 -18.5111 -22.717 79.1672 -20.953 -5.08524 -35.5496 78.8925 -33.1623 8.22022 TIMING: 1320600 CPU: 3973.73, 0.0030449/step Wall: 3973.73, 0.0030449/step, 3.11206 hours remaining, 207.753906 MB of memory in use. ENERGY: 1320600 718.2796 2145.3175 1942.1243 108.8888 -206342.3595 17738.2060 0.0000 0.0000 34352.2297 -149337.3137 300.0066 -183689.5434 -149238.9095 298.5020 -66.9518 -31.1194 557152.3987 -5.4440 -5.1254 PRESSURE: 1320800 41.3278 -58.3992 13.1112 -58.3999 30.3112 52.7009 13.1109 52.7009 -67.8791 GPRESSURE: 1320800 130.623 -69.1297 -52.8929 3.96299 -3.63441 6.85641 36.6889 -18.0337 -29.9485 PRESSAVG: 1320800 13.313 4.02763 -0.655109 4.02759 5.16474 -2.37211 -0.655072 -2.37229 -38.8916 GPRESSAVG: 1320800 12.6427 3.9242 -0.236629 2.81309 5.05236 -2.97768 -1.07487 -1.0462 -37.983 TIMING: 1320800 CPU: 3974.34, 0.00304139/step Wall: 3974.34, 0.00304139/step, 3.10831 hours remaining, 207.753906 MB of memory in use. ENERGY: 1320800 720.9837 2093.9775 1884.1369 105.2722 -205831.3888 17753.7843 0.0000 0.0000 34135.4789 -149137.7552 298.1136 -183273.2341 -149043.1878 299.3375 1.2533 32.3465 557241.0177 -6.8046 -6.7627 PRESSURE: 1321000 187.772 104.488 294.796 104.487 157.873 -33.8232 294.796 -33.8251 -92.8613 GPRESSURE: 1321000 169.511 78.4813 319.159 66.8646 151.657 60.1418 224.952 -14.6809 29.876 PRESSAVG: 1321000 -17.4149 -57.6817 60.4306 -57.6817 61.3323 -8.62557 60.4308 -8.62551 -91.2633 GPRESSAVG: 1321000 -17.2347 -55.97 59.5405 -57.0908 61.1098 -8.84157 59.6537 -9.84326 -91.7079 TIMING: 1321000 CPU: 3974.95, 0.00304047/step Wall: 3974.95, 0.00304047/step, 3.10719 hours remaining, 207.753906 MB of memory in use. ENERGY: 1321000 750.7770 2041.4871 1958.6830 96.6344 -206327.3884 17922.7095 0.0000 0.0000 34260.0214 -149297.0760 299.2013 -183557.0974 -149203.1031 299.0551 84.2613 117.0146 557131.3711 -15.7820 -15.9443 PRESSURE: 1321200 -200.976 -117.25 -45.8272 -117.252 -277.547 -58.2024 -45.8272 -58.2018 -348.504 GPRESSURE: 1321200 -200.803 -32.1885 -7.06458 -89.6411 -258.757 -55.0832 -136.587 32.9435 -271.894 PRESSAVG: 1321200 19.2028 3.59447 24.3515 3.59435 -26.8283 -69.5877 24.3515 -69.5877 -7.99278 GPRESSAVG: 1321200 19.3866 4.21473 25.4421 3.21722 -26.712 -70.2933 25.1983 -67.7147 -8.22726 TIMING: 1321200 CPU: 3975.54, 0.0029848/step Wall: 3975.54, 0.0029848/step, 3.05014 hours remaining, 207.753906 MB of memory in use. ENERGY: 1321200 683.5238 2027.9528 1959.7863 123.5388 -205568.9205 17425.2329 0.0000 0.0000 34168.5117 -149180.3743 298.4021 -183348.8860 -149088.4067 298.3657 -275.6755 -243.8180 561023.0131 -5.2061 -5.1842 PRESSURE: 1321400 47.0607 -86.0769 -41.5971 -86.0772 -73.9081 -81.7202 -41.5975 -81.7206 120.995 GPRESSURE: 1321400 105.183 -57.3619 -50.6076 -151.666 -72.2013 -70.7357 42.1766 -104.304 155.115 PRESSAVG: 1321400 -48.5579 18.9369 -1.48997 18.937 -22.719 -42.9379 -1.48996 -42.9378 57.6727 GPRESSAVG: 1321400 -48.9115 18.7088 -1.33944 18.0119 -22.6574 -39.1954 -1.12619 -46.1387 57.9617 TIMING: 1321400 CPU: 3976.14, 0.00300314/step Wall: 3976.14, 0.00300314/step, 3.06871 hours remaining, 207.753906 MB of memory in use. ENERGY: 1321400 703.9950 2152.9776 1909.9888 122.3599 -206277.0809 17921.8214 0.0000 0.0000 34280.7623 -149185.1758 299.3824 -183465.9381 -149093.4692 299.2036 31.3824 62.6989 556943.5820 -4.5347 -4.5358 PRESSURE: 1321600 -126.774 156.447 113.441 156.447 -33.7138 129.152 113.441 129.151 -116.86 GPRESSURE: 1321600 -150.418 168.346 70.424 114.242 12.7933 78.585 171.973 173.438 -38.4383 PRESSAVG: 1321600 -32.9868 -17.8365 -10.147 -17.8364 28.1569 -5.73215 -10.1469 -5.73206 14.8315 GPRESSAVG: 1321600 -34.5063 -19.1902 -10.8341 -18.1523 29.7914 -6.96822 -9.86637 -5.73289 15.0476 TIMING: 1321600 CPU: 3976.74, 0.0029982/step Wall: 3976.74, 0.0029982/step, 3.06349 hours remaining, 207.878906 MB of memory in use. ENERGY: 1321600 764.3542 2056.6483 1930.8905 108.5606 -205741.2694 17532.6818 0.0000 0.0000 34346.0847 -149002.0492 299.9529 -183348.1339 -148911.8672 299.9545 -92.4492 -58.6878 558163.7297 3.3339 3.4443 PRESSURE: 1321800 158.32 -10.8932 -118.505 -10.8939 -105.093 -56.1308 -118.504 -56.1307 -180.053 GPRESSURE: 1321800 191.888 -71.0027 -31.1353 100.348 -91.1591 -47.8179 -32.9382 -61.039 -119.553 PRESSAVG: 1321800 -20.4763 -23.9215 15.7761 -23.9215 40.2313 18.1205 15.7761 18.1204 -8.86356 GPRESSAVG: 1321800 -18.8923 -23.2852 17.3573 -24.7232 38.2099 16.2882 15.017 20.9913 -8.95935 TIMING: 1321800 CPU: 3977.35, 0.00301692/step Wall: 3977.35, 0.00301692/step, 3.08246 hours remaining, 207.878906 MB of memory in use. ENERGY: 1321800 706.1666 2071.0352 1941.8116 126.8365 -205694.8145 17656.9074 0.0000 0.0000 34217.4919 -148974.5653 298.8299 -183192.0572 -148876.9970 299.3297 -42.2754 -6.2749 558393.5121 3.6305 3.4527 PRESSURE: 1322000 -61.7628 20.4948 -166.707 20.4957 -40.7537 156.576 -166.708 156.575 -171.303 GPRESSURE: 1322000 -25.6885 13.0593 -152.463 -67.2432 27.2892 195.132 -177.284 109.714 -175.747 PRESSAVG: 1322000 -48.1115 1.14655 32.061 1.14651 11.4689 -48.2362 32.0608 -48.2362 21.6352 GPRESSAVG: 1322000 -46.9539 2.30343 30.1354 1.72129 11.5103 -49.7744 33.4121 -47.9793 20.8491 TIMING: 1322000 CPU: 3977.95, 0.00302682/step Wall: 3977.95, 0.00302682/step, 3.0924 hours remaining, 207.949219 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: 1322000 735.9444 2113.4944 1927.7459 101.5097 -205751.7268 17484.4822 0.0000 0.0000 34419.3082 -148969.2421 300.5924 -183388.5503 -148871.4287 299.1821 -91.2732 -58.0490 557728.6263 -5.0025 -4.8648 PRESSURE: 1322200 -165.266 37.4393 56.1379 37.4399 -130.496 189.718 56.1385 189.717 -408.915 GPRESSURE: 1322200 -93.5013 79.3743 30.6169 2.68193 -126.116 148.938 106.424 176.892 -387.149 PRESSAVG: 1322200 -19.7815 10.0532 -14.3275 10.0532 41.1206 36.0675 -14.3275 36.0675 -14.6519 GPRESSAVG: 1322200 -20.0321 8.56969 -13.898 11.5871 41.2577 38.5489 -16.328 34.8033 -14.4793 TIMING: 1322200 CPU: 3978.56, 0.00301599/step Wall: 3978.56, 0.00301599/step, 3.08117 hours remaining, 207.949219 MB of memory in use. ENERGY: 1322200 763.0131 2078.9562 1940.2436 113.4875 -205716.6494 17449.1478 0.0000 0.0000 34393.4957 -148978.3053 300.3670 -183371.8010 -148891.0163 300.0014 -234.8923 -202.2552 558034.2541 2.2291 2.2488 PRESSURE: 1322400 -19.8951 79.2028 -104.571 79.2023 -114.762 -53.8473 -104.571 -53.8466 169.551 GPRESSURE: 1322400 69.1207 122.388 -44.8418 45.2929 -83.6792 -167.28 -105.589 63.7231 130.678 PRESSAVG: 1322400 29.7542 30.0267 -36.1808 30.0267 0.377743 58.3397 -36.1808 58.3398 -21.488 GPRESSAVG: 1322400 28.3301 30.8753 -36.8904 29.8767 1.29383 56.2263 -34.2811 60.5278 -21.4158 TIMING: 1322400 CPU: 3979.16, 0.00300784/step Wall: 3979.16, 0.00300784/step, 3.07267 hours remaining, 207.949219 MB of memory in use. ENERGY: 1322400 716.0976 2077.3920 1948.8970 112.2923 -205770.7060 17630.1988 0.0000 0.0000 34212.1844 -149073.6439 298.7835 -183285.8283 -148976.7043 299.9147 11.6316 38.7066 557606.3784 2.8813 2.7360 PRESSURE: 1322600 -174.891 -68.3236 128.047 -68.3245 -197.699 53.1924 128.048 53.1906 -231.402 GPRESSURE: 1322600 -108.923 -83.1957 96.6956 -7.95635 -180.173 64.0566 88.2033 109.962 -216.969 PRESSAVG: 1322600 -11.7731 50.6407 -13.2809 50.6406 35.606 17.6231 -13.281 17.623 -0.883498 GPRESSAVG: 1322600 -10.4459 50.0526 -14.4466 51.3824 34.288 20.7116 -13.9623 14.2995 -0.145158 TIMING: 1322600 CPU: 3979.76, 0.00299344/step Wall: 3979.76, 0.00299344/step, 3.0578 hours remaining, 207.949219 MB of memory in use. ENERGY: 1322600 777.8769 2093.3811 1911.7358 127.0747 -205928.2129 17650.6802 0.0000 0.0000 34177.0031 -149190.4611 298.4763 -183367.4641 -149097.5417 299.0094 -201.3306 -168.6881 557329.5392 7.6498 7.8990 PRESSURE: 1322800 -21.4862 -12.3118 88.2948 -12.3127 -179.593 -91.5504 88.2949 -91.5519 -93.5206 GPRESSURE: 1322800 16.7572 -3.18478 49.6687 0.505563 -44.7302 -112.754 134.259 -33.2697 -160.367 PRESSAVG: 1322800 37.8904 7.48272 10.1837 7.48267 -18.2272 -22.2813 10.1836 -22.2814 -18.8972 GPRESSAVG: 1322800 38.1918 8.89719 11.6772 4.99324 -17.8438 -23.9562 10.1554 -20.6202 -19.5267 TIMING: 1322800 CPU: 3980.36, 0.0030348/step Wall: 3980.36, 0.0030348/step, 3.09988 hours remaining, 207.949219 MB of memory in use. ENERGY: 1322800 776.1397 2054.7510 1951.0017 113.1612 -206035.1129 17787.9367 0.0000 0.0000 34170.9248 -149181.1977 298.4232 -183352.1226 -149078.0077 299.3774 -98.1998 -62.7801 557505.2055 0.2553 0.2738 PRESSURE: 1323000 -142.725 19.1699 16.1391 19.1703 117.17 -62.5383 16.1395 -62.5386 -254.399 GPRESSURE: 1323000 -134.695 12.6322 -1.77404 7.71528 126.023 -48.9763 75.1685 -78.4798 -164.815 PRESSAVG: 1323000 39.4521 28.7468 -6.20403 28.7469 -6.47412 6.41166 -6.20407 6.41169 19.4565 GPRESSAVG: 1323000 38.3786 28.9449 -7.52683 28.4586 -5.61882 8.08757 -4.39418 4.31503 19.8199 TIMING: 1323000 CPU: 3980.96, 0.00300442/step Wall: 3980.96, 0.00300442/step, 3.06868 hours remaining, 207.949219 MB of memory in use. ENERGY: 1323000 757.1330 2015.6418 1929.0651 122.6351 -206338.2338 17836.6764 0.0000 0.0000 34578.6910 -149098.3914 301.9843 -183677.0824 -148999.6960 299.5396 -93.3179 -57.8289 557965.3833 17.4782 17.5265 PRESSURE: 1323200 -45.4637 -93.1536 81.541 -93.1544 -124.971 60.8019 81.5412 60.8017 39.3756 GPRESSURE: 1323200 -4.34602 -84.0356 129.123 -106.159 -93.5787 84.1429 90.8502 -7.4456 69.12 PRESSAVG: 1323200 -34.9704 15.8306 24.8638 15.8306 7.82339 39.22 24.8637 39.22 -4.86018 GPRESSAVG: 1323200 -34.0869 14.928 26.7694 16.2162 7.27949 40.1039 23.3855 39.102 -5.99432 TIMING: 1323200 CPU: 3981.57, 0.0030236/step Wall: 3981.57, 0.0030236/step, 3.0881 hours remaining, 207.949219 MB of memory in use. ENERGY: 1323200 706.4168 2105.8156 1915.1546 103.6417 -205753.9406 17530.9695 0.0000 0.0000 34304.2410 -149087.7014 299.5875 -183391.9424 -148995.6051 300.0977 -43.6864 -9.6016 555923.5490 -10.6691 -10.9339 PRESSURE: 1323400 -116.987 -111.41 -90.2041 -111.411 55.5754 -216.069 -90.203 -216.068 317.409 GPRESSURE: 1323400 -75.3075 -36.2411 -98.5321 -183.557 100.951 -216.311 -33.8083 -157.245 329.138 PRESSAVG: 1323400 -21.7498 -0.171452 -43.0088 -0.171424 1.0414 16.6154 -43.0088 16.6156 44.793 GPRESSAVG: 1323400 -21.3666 -2.2096 -41.4417 1.20383 0.674563 15.9124 -45.1675 17.0299 44.9641 TIMING: 1323400 CPU: 3982.17, 0.00301488/step Wall: 3982.17, 0.00301488/step, 3.07903 hours remaining, 207.949219 MB of memory in use. ENERGY: 1323400 706.6673 2074.4429 1918.6664 112.7899 -206307.6060 17865.8841 0.0000 0.0000 34378.3266 -149250.8288 300.2345 -183629.1554 -149156.4209 299.2797 85.3322 118.2606 554759.5243 8.0282 8.0907 PRESSURE: 1323600 -218.398 16.9848 113.293 16.9841 -101.916 -87.1885 113.292 -87.1879 -188.579 GPRESSURE: 1323600 -210.886 -8.76963 165.023 -6.74892 -83.1755 -136.169 163.647 -81.4818 -101.178 PRESSAVG: 1323600 -3.32469 -9.78598 3.12789 -9.78594 -2.48328 39.5552 3.12791 39.5553 50.7982 GPRESSAVG: 1323600 -3.27258 -8.54596 1.35981 -9.35171 -2.60118 40.0201 5.03219 39.8074 51.2367 TIMING: 1323600 CPU: 3982.79, 0.00307068/step Wall: 3982.79, 0.00307068/step, 3.13585 hours remaining, 207.949219 MB of memory in use. ENERGY: 1323600 760.4741 2063.4880 1927.7696 98.9982 -205611.9330 17412.3209 0.0000 0.0000 34170.8173 -149178.0648 298.4222 -183348.8821 -149082.0398 299.1116 -169.6309 -131.7464 556726.8535 14.9967 15.1210 PRESSURE: 1323800 137.045 23.663 20.7439 23.6621 72.5897 -97.7758 20.7442 -97.7761 191.145 GPRESSURE: 1323800 158.406 24.4893 38.1661 87.4629 80.8483 -99.838 -19.5702 -131.715 245.862 PRESSAVG: 1323800 -78.0452 6.06764 31.9297 6.0677 -28.9593 -23.4816 31.9297 -23.4816 89.0335 GPRESSAVG: 1323800 -77.8241 6.55104 32.3363 5.96307 -30.0963 -25.1491 31.6856 -23.4914 90.2407 TIMING: 1323800 CPU: 3983.39, 0.00304702/step Wall: 3983.39, 0.00304702/step, 3.11152 hours remaining, 207.949219 MB of memory in use. ENERGY: 1323800 748.9058 2034.0599 1905.8410 106.8566 -206086.5256 17859.1178 0.0000 0.0000 34149.2368 -149282.5076 298.2338 -183431.7444 -149185.8858 299.4076 133.5932 161.7055 556474.0391 -5.9903 -5.8933 PRESSURE: 1324000 3.15734 32.5013 -32.9373 32.5025 130.599 -67.824 -32.9377 -67.8244 -95.2119 GPRESSURE: 1324000 58.8602 93.7572 38.6781 25.0614 133.224 -74.57 -50.3093 -37.8509 -61.1385 PRESSAVG: 1324000 -98.9114 -8.53163 -17.8919 -8.53163 -35.8031 13.7704 -17.8919 13.7703 49.8829 GPRESSAVG: 1324000 -99.2867 -5.1252 -17.8277 -11.5973 -33.9822 16.0371 -18.3422 13.363 47.9975 TIMING: 1324000 CPU: 3983.99, 0.00299102/step Wall: 3983.99, 0.00299102/step, 3.05416 hours remaining, 207.949219 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: 1324000 705.5514 2046.0646 1928.7765 113.6054 -205888.3636 17645.6148 0.0000 0.0000 34218.6500 -149230.1009 298.8400 -183448.7509 -149132.7604 299.0476 12.8482 43.6485 558083.4907 -28.2772 -28.4238 PRESSURE: 1324200 277.907 51.8522 261.417 51.8513 285.604 73.4424 261.416 73.4412 182.743 GPRESSURE: 1324200 306.768 71.5652 310.406 -17.3817 321.26 122.084 237.262 95.2887 237.372 PRESSAVG: 1324200 -14.6296 50.1314 -37.5588 50.1314 -31.3493 34.768 -37.5587 34.7681 26.3255 GPRESSAVG: 1324200 -14.1044 45.4523 -37.5725 52.0691 -31.9113 33.1031 -35.7916 34.115 25.8493 TIMING: 1324200 CPU: 3984.59, 0.00299325/step Wall: 3984.59, 0.00299325/step, 3.05627 hours remaining, 207.949219 MB of memory in use. ENERGY: 1324200 722.1693 2122.5976 1930.3196 110.3927 -206623.2630 18232.6501 0.0000 0.0000 34160.7303 -149344.4033 298.3342 -183505.1337 -149251.9395 298.4675 248.7512 288.4663 556335.6178 -6.5511 -6.7221 LDB: ============= START OF LOAD BALANCING ============== 3988.11 LDB: ============== END OF LOAD BALANCING =============== 3988.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3988.11 LDB: ============= START OF LOAD BALANCING ============== 3988.41 LDB: Largest compute 4800 load 0.029240 is 24.8% of average load 0.117874 LDB: Average compute 0.001740 is 1.5% of average load 0.117874 LDB: TIME 3988.41 LOAD: AVG 0.117874 MAX 0.213436 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.672 MB LDB: TIME 3988.41 LOAD: AVG 0.117874 MAX 0.213436 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.738 MB LDB: TIME 3988.41 LOAD: AVG 0.117874 MAX 0.213436 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.738 MB LDB: ============== END OF LOAD BALANCING =============== 3988.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3988.42 PRESSURE: 1324400 199.649 -39.9842 25.343 -39.9837 97.8372 78.7487 25.3427 78.7498 -39.1967 GPRESSURE: 1324400 252.304 -18.5549 -60.2376 12.2948 143.917 160.595 63.5398 55.1394 -40.6599 PRESSAVG: 1324400 38.3364 6.41261 -3.92635 6.41258 -44.8082 14.5777 -3.92639 14.5775 -8.49538 GPRESSAVG: 1324400 37.2768 7.23985 -4.02195 7.03915 -44.7865 15.4087 -5.70027 14.0016 -7.16243 TIMING: 1324400 CPU: 3985.2, 0.00306127/step Wall: 3985.2, 0.00306127/step, 3.12556 hours remaining, 208.179688 MB of memory in use. ENERGY: 1324400 720.8907 2087.3472 1900.0597 116.7012 -206091.2411 17858.7779 0.0000 0.0000 33979.9936 -149427.4709 296.7557 -183407.4645 -149333.8284 297.8676 86.0965 118.5204 558219.2370 -4.9891 -4.8907 PRESSURE: 1324600 -211.225 -72.8634 147.041 -72.864 140.345 -145.361 147.041 -145.361 153.457 GPRESSURE: 1324600 -186.202 -39.711 144.799 -129.116 187.078 -75.8286 134.219 -153.94 182.887 PRESSAVG: 1324600 -71.0033 5.71095 22.0393 5.71093 65.4027 -17.9417 22.0393 -17.9418 26.6454 GPRESSAVG: 1324600 -70.9863 7.1007 20.3378 7.29614 65.6667 -20.9819 23.8398 -15.9387 26.5107 TIMING: 1324600 CPU: 3985.8, 0.00300088/step Wall: 3985.8, 0.00300088/step, 3.06373 hours remaining, 208.179688 MB of memory in use. ENERGY: 1324600 749.2755 2065.1112 1907.0902 111.4817 -206484.9552 17853.1567 0.0000 0.0000 34288.5880 -149510.2520 299.4508 -183798.8400 -149410.1731 298.5931 27.5260 61.2543 557636.5799 7.0149 7.0637 PRESSURE: 1324800 13.0761 -19.5927 -48.8502 -19.5914 -230.375 -112.715 -48.8511 -112.717 -134.574 GPRESSURE: 1324800 47.8873 72.5207 -78.5084 -36.5578 -206.61 -168.03 -75.0837 -99.3515 -95.6266 PRESSAVG: 1324800 4.80896 21.5986 4.60702 21.5986 31.9911 -11.6342 4.60703 -11.6342 -68.1686 GPRESSAVG: 1324800 6.00078 21.0745 6.59914 21.6 30.9118 -9.52791 2.19465 -12.0365 -68.0566 TIMING: 1324800 CPU: 3986.41, 0.00301937/step Wall: 3986.41, 0.00301937/step, 3.08244 hours remaining, 208.179688 MB of memory in use. ENERGY: 1324800 728.5008 2153.4276 1926.8238 117.8462 -206147.0176 17614.5944 0.0000 0.0000 34250.8414 -149354.9833 299.1211 -183605.8248 -149260.8956 298.1088 -117.2910 -84.7832 558322.7951 -10.4562 -10.3813 PRESSURE: 1325000 -27.558 13.3627 6.9787 13.3635 88.1039 -237.122 6.97812 -237.123 67.8252 GPRESSURE: 1325000 52.1498 16.4496 -30.9684 82.1348 109.999 -234.511 10.0688 -254.54 71.7694 PRESSAVG: 1325000 39.1921 -12.0336 -19.287 -12.0335 -59.5958 -72.6763 -19.2871 -72.6762 21.559 GPRESSAVG: 1325000 38.8803 -12.1572 -18.5668 -12.6853 -58.9593 -73.5149 -18.4196 -71.8688 21.3332 TIMING: 1325000 CPU: 3987.02, 0.00305002/step Wall: 3987.02, 0.00305002/step, 3.11356 hours remaining, 208.179688 MB of memory in use. ENERGY: 1325000 741.5458 2130.5890 1925.7286 119.1162 -206333.8681 17786.9157 0.0000 0.0000 34319.7068 -149310.2659 299.7225 -183629.9727 -149210.8455 298.7926 42.7904 77.9727 556948.6427 0.3851 0.4181 PRESSURE: 1325200 10.973 69.1976 -154.769 69.1972 61.7684 -71.6238 -154.768 -71.6233 -68.9451 GPRESSURE: 1325200 19.0199 16.5518 -179.936 -26.1697 108.937 -1.50219 -156.563 -71.599 -34.4151 PRESSAVG: 1325200 -5.15008 12.4663 -34.661 12.4662 6.9907 -95.1157 -34.661 -95.1157 51.9275 GPRESSAVG: 1325200 -5.71959 13.1846 -36.7742 11.7426 7.88167 -95.2249 -32.9327 -96.7012 51.5309 TIMING: 1325200 CPU: 3987.62, 0.00301419/step Wall: 3987.62, 0.00301419/step, 3.07681 hours remaining, 208.179688 MB of memory in use. ENERGY: 1325200 802.7632 2054.2414 1918.3540 106.9003 -206598.2879 18090.0824 0.0000 0.0000 34194.5793 -149431.3672 298.6298 -183625.9465 -149341.0728 298.6456 1.2654 31.1807 556800.4002 17.9227 17.8977 PRESSURE: 1325400 -516.765 -52.9087 -141.736 -52.908 -352.372 73.3554 -141.736 73.3541 -170.142 GPRESSURE: 1325400 -437.482 -83.0371 -102.377 2.36067 -330.969 -15.6488 -65.8806 109.701 -173.648 PRESSAVG: 1325400 -21.8587 8.17091 -29.036 8.17091 -37.7768 -4.87093 -29.0361 -4.87086 96.9463 GPRESSAVG: 1325400 -21.2137 9.26705 -26.6725 7.64681 -37.7823 -4.33317 -30.5914 -3.96304 96.2874 TIMING: 1325400 CPU: 3988.22, 0.00299444/step Wall: 3988.22, 0.00299444/step, 3.05649 hours remaining, 208.179688 MB of memory in use. ENERGY: 1325400 740.1012 2114.4923 1948.1404 111.6150 -205603.5115 17185.5107 0.0000 0.0000 34158.0044 -149345.6476 298.3103 -183503.6520 -149249.6760 298.4290 -346.4263 -314.0328 558002.9867 12.4369 12.4305 PRESSURE: 1325600 -123.516 54.8318 -54.1085 54.8314 -238.201 106.897 -54.1071 106.897 82.0961 GPRESSURE: 1325600 -122.983 156.009 -64.7901 -17.5925 -173.533 81.4952 -107.881 72.6711 117.278 PRESSAVG: 1325600 34.2445 30.3889 -14.4475 30.3889 -23.2322 -0.651754 -14.4474 -0.651715 -6.74747 GPRESSAVG: 1325600 33.7882 30.8889 -15.743 31.9466 -23.6657 1.97981 -13.7251 -2.06617 -5.62929 TIMING: 1325600 CPU: 3988.82, 0.0030245/step Wall: 3988.82, 0.0030245/step, 3.08701 hours remaining, 208.179688 MB of memory in use. ENERGY: 1325600 731.2288 2119.0959 1936.7595 121.6089 -206102.1257 17388.4221 0.0000 0.0000 34364.0569 -149440.9537 300.1099 -183805.0106 -149339.4953 298.7531 -93.2067 -59.7461 557116.5276 1.4216 1.4977 PRESSURE: 1325800 -206.929 53.3894 29.3332 53.3902 9.06239 -170.518 29.3324 -170.518 -134.978 GPRESSURE: 1325800 -151.463 70.8106 46.0409 127.215 46.0944 -139.919 -22.7036 -137.962 -129.922 PRESSAVG: 1325800 -66.1699 46.1602 -16.2219 46.1603 -15.9193 -24.3404 -16.222 -24.3404 77.9744 GPRESSAVG: 1325800 -65.6864 44.0445 -15.9124 45.0606 -16.6059 -29.1604 -15.7768 -23.2797 77.8335 TIMING: 1325800 CPU: 3989.43, 0.00304189/step Wall: 3989.43, 0.00304189/step, 3.10458 hours remaining, 208.179688 MB of memory in use. ENERGY: 1325800 724.9300 2121.7904 1932.2508 107.2154 -205855.5308 17559.5480 0.0000 0.0000 33976.9186 -149432.8776 296.7289 -183409.7962 -149341.3312 298.5305 -110.9483 -78.4305 558228.4632 -1.3716 -1.4862 PRESSURE: 1326000 43.2112 -38.7384 -11.6475 -38.7381 -109.069 104.896 -11.6481 104.893 -129.884 GPRESSURE: 1326000 84.4047 -55.8962 74.7852 -65.8354 -97.6249 24.0822 -55.3122 88.6503 -87.4081 PRESSAVG: 1326000 22.0247 25.6345 24.6588 25.6346 -11.0891 5.6918 24.6588 5.69177 15.527 GPRESSAVG: 1326000 22.1567 27.364 26.0774 25.3528 -11.6202 8.715 23.5821 5.16903 15.7412 TIMING: 1326000 CPU: 3990.04, 0.00305192/step Wall: 3990.04, 0.00305192/step, 3.11465 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: 1326000 780.3497 2157.9155 1946.3039 101.6940 -206405.8008 17823.7018 0.0000 0.0000 34170.8586 -149424.9773 298.4226 -183595.8359 -149328.6423 298.6827 -65.2473 -33.5428 557552.0753 8.8208 8.7592 PRESSURE: 1326200 -107.836 -56.4873 59.7324 -56.4868 128.476 -117.573 59.7334 -117.573 -127.496 GPRESSURE: 1326200 -50.7964 -110.144 9.63403 -75.3618 165.743 -154.439 66.8963 -121.401 -134.112 PRESSAVG: 1326200 -46.696 -24.5899 55.9525 -24.5899 11.0611 -0.454305 55.9526 -0.454296 15.8312 GPRESSAVG: 1326200 -47.193 -27.5671 55.5519 -22.6681 12.9145 -0.900894 54.3972 1.28523 15.0578 TIMING: 1326200 CPU: 3990.65, 0.00304582/step Wall: 3990.65, 0.00304582/step, 3.10826 hours remaining, 208.179688 MB of memory in use. ENERGY: 1326200 742.3244 2091.7490 1925.7783 118.0095 -206205.0519 17640.6304 0.0000 0.0000 34197.4804 -149489.0799 298.6551 -183686.5604 -149383.3333 298.7312 -35.6184 -6.3885 556144.6978 -6.6012 -6.4069 PRESSURE: 1326400 -130.894 16.2971 48.1694 16.2978 -346.075 -177.522 48.1691 -177.523 -155.657 GPRESSURE: 1326400 -75.5221 97.4646 -12.8823 -21.952 -287.952 -166.891 69.7064 -206.49 -170.107 PRESSAVG: 1326400 -5.86074 -15.6689 23.9171 -15.6688 -26.8123 -27.2142 23.9172 -27.2142 16.3785 GPRESSAVG: 1326400 -6.06703 -13.5926 22.0142 -15.0281 -27.3732 -26.7538 25.7378 -29.817 17.199 TIMING: 1326400 CPU: 3991.25, 0.00301051/step Wall: 3991.25, 0.00301051/step, 3.07206 hours remaining, 208.179688 MB of memory in use. ENERGY: 1326400 743.3419 2078.1724 1920.7570 109.8271 -205846.6895 17547.2640 0.0000 0.0000 33968.6157 -149478.7115 296.6564 -183447.3272 -149376.2972 298.5282 -210.8752 -177.8605 558135.4308 -5.4315 -5.4137 PRESSURE: 1326600 111.947 67.6748 133.664 67.6764 190.796 -89.8699 133.663 -89.8697 -23.3522 GPRESSURE: 1326600 92.9473 98.9016 127.16 24.8686 250.655 -90.4791 198.571 -143.32 21.9816 PRESSAVG: 1326600 -50.2866 14.2894 48.4546 14.2895 48.7556 9.52371 48.4546 9.52369 11.3208 GPRESSAVG: 1326600 -50.4158 14.1837 49.6256 12.8867 48.9972 6.44883 48.3741 11.1812 11.4331 TIMING: 1326600 CPU: 3991.86, 0.0030342/step Wall: 3991.86, 0.0030342/step, 3.09606 hours remaining, 208.179688 MB of memory in use. ENERGY: 1326600 702.7874 2086.1140 1944.8783 105.3912 -206799.0312 18023.3775 0.0000 0.0000 34353.3383 -149583.1444 300.0162 -183936.4827 -149487.9800 297.7723 93.1303 121.8612 557065.6610 3.2633 3.3382 PRESSURE: 1326800 7.95691 -17.6915 -40.9557 -17.6921 -385.616 31.2902 -40.9546 31.2911 -142.035 GPRESSURE: 1326800 -27.0663 -92.2462 -112.075 10.0379 -283.868 44.206 -32.5512 51.3233 -117.156 PRESSAVG: 1326800 12.0047 -5.65098 -28.7904 -5.65105 -29.1445 -20.361 -28.7904 -20.361 16.0504 GPRESSAVG: 1326800 11.6048 -6.82916 -29.891 -4.77392 -29.7851 -16.2186 -29.6491 -19.9 16.4309 TIMING: 1326800 CPU: 3992.47, 0.00303772/step Wall: 3992.47, 0.00303772/step, 3.09949 hours remaining, 208.179688 MB of memory in use. ENERGY: 1326800 716.8522 2147.1683 1913.8824 108.9150 -205730.0309 17404.6457 0.0000 0.0000 33898.1156 -149540.4516 296.0407 -183438.5672 -149442.5436 298.0682 -173.2313 -142.6969 558124.2561 -0.3631 -0.5832 PRESSURE: 1327000 347.129 -4.6005 -127.903 -4.60051 248.872 155.242 -127.903 155.242 236.264 GPRESSURE: 1327000 360.467 -73.5647 -90.1144 -18.9261 310.587 71.3408 -118.346 225.331 264.72 PRESSAVG: 1327000 -3.00792 -14.7487 -27.5398 -14.7487 -0.540993 16.9614 -27.5399 16.9615 16.8957 GPRESSAVG: 1327000 -1.35407 -12.9033 -27.1124 -15.2201 -1.15812 14.0791 -26.4224 16.0041 15.76 TIMING: 1327000 CPU: 3993.08, 0.00306265/step Wall: 3993.08, 0.00306265/step, 3.12475 hours remaining, 208.179688 MB of memory in use. ENERGY: 1327000 722.1208 2123.8600 1917.2925 111.5238 -206593.4603 18170.6795 0.0000 0.0000 33977.4687 -149570.5151 296.7337 -183547.9838 -149474.5336 297.7713 277.4216 311.9248 556154.4447 4.4489 4.4159 PRESSURE: 1327200 -163.805 -221.926 -44.0422 -221.926 -72.4054 82.1381 -44.0414 82.1375 81.5767 GPRESSURE: 1327200 -124.44 -232.105 -13.0209 -147.683 1.61002 104.179 -36.2588 134.519 47.032 PRESSAVG: 1327200 -41.3702 -14.0437 28.5764 -14.0437 10.7627 29.4253 28.5763 29.4252 -8.60951 GPRESSAVG: 1327200 -43.0805 -15.7035 29.2995 -14.5883 11.8209 31.1438 27.6324 29.0522 -7.74139 TIMING: 1327200 CPU: 3993.69, 0.00305197/step Wall: 3993.69, 0.00305197/step, 3.11368 hours remaining, 208.179688 MB of memory in use. ENERGY: 1327200 779.3313 2096.3637 1941.5788 108.1046 -206610.7467 17851.0216 0.0000 0.0000 34128.0627 -149706.2840 298.0489 -183834.3467 -149614.3966 297.8474 -51.5447 -25.2659 557301.7691 -13.0723 -13.0003 PRESSURE: 1327400 162.726 3.61232 -11.785 3.61317 -171.193 107.635 -11.785 107.634 41.4951 GPRESSURE: 1327400 158.898 -9.61908 -5.40717 -2.01633 -121.157 125.926 6.31487 25.5947 94.7387 PRESSAVG: 1327400 -5.73683 -48.3864 19.8664 -48.3864 0.205799 56.3125 19.8665 56.3125 3.5461 GPRESSAVG: 1327400 -4.88412 -48.6144 16.915 -47.2341 -0.331253 56.1346 20.3078 58.0856 3.52613 TIMING: 1327400 CPU: 3994.3, 0.00303294/step Wall: 3994.3, 0.00303294/step, 3.09411 hours remaining, 208.179688 MB of memory in use. ENERGY: 1327400 772.3424 2077.4214 1913.4897 113.5947 -206484.7357 17920.1422 0.0000 0.0000 34266.6718 -149421.0735 299.2594 -183687.7453 -149329.1330 298.2558 11.0095 44.1597 557118.2217 -0.6616 -0.5631 PRESSURE: 1327600 -56.967 -1.62436 -76.0455 -1.62372 104.009 -65.5039 -76.0445 -65.5034 -61.261 GPRESSURE: 1327600 19.1532 149.91 62.972 -65.1022 76.0548 -104.732 -114.009 64.994 -2.74169 PRESSAVG: 1327600 -1.81233 -54.667 1.96731 -54.667 -3.27328 -6.07757 1.96729 -6.07749 -28.3833 GPRESSAVG: 1327600 -1.0883 -53.747 3.54882 -54.7142 -3.91712 -7.05606 2.4676 -5.80023 -28.4834 TIMING: 1327600 CPU: 3994.9, 0.00301357/step Wall: 3994.9, 0.00301357/step, 3.07418 hours remaining, 208.179688 MB of memory in use. ENERGY: 1327600 752.4815 2075.5499 1911.8242 111.8572 -206517.7480 17991.8386 0.0000 0.0000 34295.4595 -149378.7370 299.5108 -183674.1965 -149281.0433 298.6257 -4.7398 30.8221 556959.0484 -11.1563 -11.1629 PRESSURE: 1327800 41.0066 -68.5796 169.499 -68.5792 -109.853 114.598 169.5 114.597 221.685 GPRESSURE: 1327800 70.9234 -125.685 212.232 -26.4684 -35.6285 225.644 127.578 30.3665 211.988 PRESSAVG: 1327800 -36.6335 -3.46143 5.93496 -3.46136 7.10227 -28.2098 5.93507 -28.2097 31.986 GPRESSAVG: 1327800 -36.8832 -4.82421 6.37888 -3.48555 8.20701 -27.5243 5.15296 -31.0849 31.0909 TIMING: 1327800 CPU: 3995.5, 0.00301411/step Wall: 3995.5, 0.00301411/step, 3.07456 hours remaining, 208.179688 MB of memory in use. ENERGY: 1327800 774.0256 2092.6965 1907.3309 111.1872 -206339.8298 17819.2954 0.0000 0.0000 34142.2248 -149493.0694 298.1725 -183635.2942 -149392.0084 298.8782 50.9465 82.4277 556587.3324 0.8183 0.8049 PRESSURE: 1328000 31.531 40.0379 98.4173 40.0382 -52.5778 69.4208 98.4156 69.4205 -95.7157 GPRESSURE: 1328000 52.9876 76.308 192.233 -19.9763 -17.1277 126.917 -2.44485 49.2837 -55.1288 PRESSAVG: 1328000 -48.1825 -7.89997 0.067547 -7.89995 51.9187 -2.81038 0.0675873 -2.81033 58.0469 GPRESSAVG: 1328000 -48.8204 -7.70555 -1.9385 -7.23667 51.6079 -3.05776 2.26207 -0.318001 59.1223 TIMING: 1328000 CPU: 3996.1, 0.00300235/step Wall: 3996.1, 0.00300235/step, 3.0624 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: 1328000 721.8698 2116.8778 1930.2014 106.2556 -206179.3297 17709.5425 0.0000 0.0000 34024.4686 -149570.1140 297.1441 -183594.5826 -149465.1403 298.6613 -38.9208 -6.4230 557571.1190 20.5944 20.6366 PRESSURE: 1328200 37.3569 46.9214 -112.053 46.9234 -251.563 -30.9215 -112.052 -30.9215 -214.648 GPRESSURE: 1328200 16.727 -2.26379 -64.047 46.0992 -161.674 -48.7244 -151.892 12.1448 -191.601 PRESSAVG: 1328200 -7.76711 1.33972 -33.9259 1.33966 -37.6089 -43.1347 -33.9259 -43.1347 4.17184 GPRESSAVG: 1328200 -8.10798 2.16251 -32.0195 0.163269 -37.1029 -42.1971 -35.9016 -44.238 3.94092 TIMING: 1328200 CPU: 3996.7, 0.00299519/step Wall: 3996.7, 0.00299519/step, 3.05493 hours remaining, 208.179688 MB of memory in use. ENERGY: 1328200 737.1241 2153.2057 1930.8919 117.7763 -206425.5522 17679.3915 0.0000 0.0000 34293.7450 -149513.4177 299.4958 -183807.1627 -149415.7372 298.2341 -142.9513 -112.1829 556673.0135 -13.7347 -13.7566 LDB: ============= START OF LOAD BALANCING ============== 4000.22 LDB: ============== END OF LOAD BALANCING =============== 4000.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4000.22 LDB: ============= START OF LOAD BALANCING ============== 4000.52 LDB: Largest compute 4800 load 0.029506 is 25.0% of average load 0.117903 LDB: Average compute 0.001742 is 1.5% of average load 0.117903 LDB: TIME 4000.52 LOAD: AVG 0.117903 MAX 0.216453 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.031 MB LDB: TIME 4000.53 LOAD: AVG 0.117903 MAX 0.216453 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.148 MB LDB: TIME 4000.53 LOAD: AVG 0.117903 MAX 0.216453 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.148 MB LDB: ============== END OF LOAD BALANCING =============== 4000.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4000.53 PRESSURE: 1328400 -292.964 -45.448 -29.9253 -45.4492 -8.59518 -38.6636 -29.9252 -38.6627 54.369 GPRESSURE: 1328400 -248.749 -27.9329 -31.7817 -37.0165 32.0817 49.6744 -7.15881 -66.077 67.002 PRESSAVG: 1328400 -38.6462 -23.8234 -16.5802 -23.8233 20.1733 -36.2905 -16.5801 -36.2904 47.931 GPRESSAVG: 1328400 -37.7064 -23.4565 -17.0201 -22.0397 19.2527 -35.6473 -15.8466 -36.1806 48.059 TIMING: 1328400 CPU: 3997.31, 0.00305678/step Wall: 3997.31, 0.00305678/step, 3.11757 hours remaining, 207.234375 MB of memory in use. ENERGY: 1328400 753.2250 2092.4338 1932.8017 130.9187 -206522.7544 17778.8390 0.0000 0.0000 34286.4412 -149548.0949 299.4320 -183834.5361 -149451.8067 298.8973 -82.3968 -49.8885 556630.2450 9.8194 9.8684 PRESSURE: 1328600 162.65 105.901 -21.4365 105.901 64.8687 80.9834 -21.4356 80.9839 3.54293 GPRESSURE: 1328600 202.774 142.197 -0.921748 102.808 72.7115 167.073 -15.5922 -10.2315 49.0597 PRESSAVG: 1328600 -30.1128 36.9481 46.6519 36.9481 -16.7655 26.0841 46.6519 26.0841 51.1521 GPRESSAVG: 1328600 -30.3849 40.9381 47.5113 32.3457 -16.8624 26.3105 44.4112 25.4747 50.7797 TIMING: 1328600 CPU: 3997.92, 0.00304849/step Wall: 3997.92, 0.00304849/step, 3.10895 hours remaining, 207.437500 MB of memory in use. ENERGY: 1328600 742.0277 2057.6286 1925.8456 120.2791 -206716.3402 18078.4202 0.0000 0.0000 34154.3280 -149637.8109 298.2782 -183792.1389 -149536.2964 299.1875 77.0205 108.1819 558065.0467 1.4246 1.1775 PRESSURE: 1328800 -9.58317 -25.1734 -144.991 -25.1736 112.372 39.7353 -144.99 39.7349 -52.8975 GPRESSURE: 1328800 -15.1109 -7.05157 -114.841 34.8404 108.121 -3.05256 -119.014 8.80218 52.2867 PRESSAVG: 1328800 -38.2761 42.7243 -25.7488 42.7243 -1.30379 7.04604 -25.7487 7.04593 10.3144 GPRESSAVG: 1328800 -38.7058 39.4248 -25.9554 47.7527 -0.38144 5.28771 -24.1455 7.94563 9.53094 TIMING: 1328800 CPU: 3998.53, 0.00303425/step Wall: 3998.53, 0.00303425/step, 3.09426 hours remaining, 207.437500 MB of memory in use. ENERGY: 1328800 784.7567 2141.1289 1948.6054 101.9157 -206649.5868 17843.9251 0.0000 0.0000 34354.9444 -149474.3106 300.0303 -183829.2550 -149379.3653 298.5516 16.6306 48.4323 556917.1672 -9.7552 -9.8521 PRESSURE: 1329000 -286.713 -121.641 -160.486 -121.64 -154.177 27.7074 -160.486 27.7072 129.462 GPRESSURE: 1329000 -210.931 -181.363 -155.059 -138.199 -149.694 31.3452 -169.457 -7.43501 144.828 PRESSAVG: 1329000 -20.5916 -31.5769 -52.8871 -31.5768 -9.62618 30.8266 -52.8871 30.8267 61.3131 GPRESSAVG: 1329000 -19.6033 -32.2554 -53.2976 -31.9177 -10.8122 30.9457 -51.8942 30.2548 61.6612 TIMING: 1329000 CPU: 3999.14, 0.00306449/step Wall: 3999.14, 0.00306449/step, 3.12493 hours remaining, 207.437500 MB of memory in use. ENERGY: 1329000 766.6939 2113.6507 1927.0777 108.5266 -206012.6053 17685.3168 0.0000 0.0000 33911.9686 -149499.3709 296.1617 -183411.3395 -149408.1790 298.5379 -103.8092 -71.9325 557126.7177 10.3651 10.4152 PRESSURE: 1329200 127.505 73.3716 -132.931 73.3719 6.46653 165.873 -132.93 165.876 192.894 GPRESSURE: 1329200 133.348 2.45749 -74.3641 90.2676 69.2051 192.221 -108.019 111.079 222.594 PRESSAVG: 1329200 -40.2797 9.13497 4.54197 9.13504 18.1891 -7.61751 4.54195 -7.6174 8.74698 GPRESSAVG: 1329200 -41.1077 9.75968 5.65185 8.56916 18.6169 -8.8877 2.75683 -6.32502 8.79573 TIMING: 1329200 CPU: 3999.75, 0.00302615/step Wall: 3999.75, 0.00302615/step, 3.08567 hours remaining, 207.437500 MB of memory in use. ENERGY: 1329200 734.5577 2099.3564 1948.7451 104.7173 -206667.6543 18005.7251 0.0000 0.0000 34178.2950 -149596.2577 298.4876 -183774.5527 -149498.5196 298.4139 108.9552 141.7157 556557.4671 -4.4479 -4.5650 PRESSURE: 1329400 68.0247 41.3872 -54.6438 41.3888 279.509 17.8828 -54.643 17.8835 68.4252 GPRESSURE: 1329400 138.56 16.0672 -110.147 112.202 228.918 20.7469 -31.4141 12.4149 168.899 PRESSAVG: 1329400 -45.6629 8.7495 -9.82621 8.74957 -14.6079 -38.7016 -9.82622 -38.7016 92.3835 GPRESSAVG: 1329400 -44.4484 9.0031 -10.061 8.13743 -16.1154 -36.1167 -8.86386 -39.5637 92.8249 TIMING: 1329400 CPU: 4000.35, 0.00297724/step Wall: 4000.35, 0.00297724/step, 3.03563 hours remaining, 207.437500 MB of memory in use. ENERGY: 1329400 727.6577 2098.7554 1939.8116 104.4182 -206861.1467 18043.2100 0.0000 0.0000 34339.0941 -149608.1997 299.8918 -183947.2938 -149501.5310 298.9891 138.6530 178.7925 556444.8573 10.7042 10.7537 PRESSURE: 1329600 -38.3409 -39.2372 84.7996 -39.2373 -125.007 -93.4901 84.8 -93.4897 105.028 GPRESSURE: 1329600 -10.4736 27.9865 67.5772 -30.3751 -68.8688 -32.1876 218.709 -51.292 104.652 PRESSAVG: 1329600 -16.7806 47.2336 4.38693 47.2337 -18.4953 -53.8776 4.38696 -53.8774 27.5725 GPRESSAVG: 1329600 -17.9275 46.3907 3.32 49.0476 -17.3739 -54.9912 5.24886 -51.7614 27.2662 TIMING: 1329600 CPU: 4000.94, 0.00296462/step Wall: 4000.94, 0.00296462/step, 3.02259 hours remaining, 207.507812 MB of memory in use. ENERGY: 1329600 757.3219 2111.0175 1912.9899 112.6921 -206298.7361 17564.0642 0.0000 0.0000 34190.2254 -149650.4251 298.5917 -183840.6505 -149548.5616 299.1683 -19.4398 8.4366 555661.3697 -2.5678 -2.6784 PRESSURE: 1329800 -406.436 194.448 60.7124 194.447 -218.083 -49.5208 60.7122 -49.5216 43.594 GPRESSURE: 1329800 -365.487 174.342 -16.1414 168.992 -166.412 -39.0238 127.303 -79.0086 46.5398 PRESSAVG: 1329800 -2.99634 7.70873 -1.40665 7.70879 18.6708 -59.0663 -1.40665 -59.0663 27.5335 GPRESSAVG: 1329800 -2.3435 8.13654 -0.58421 8.6171 18.1831 -57.4209 -2.41503 -60.5667 27.3863 TIMING: 1329800 CPU: 4001.53, 0.00297947/step Wall: 4001.53, 0.00297947/step, 3.03757 hours remaining, 207.507812 MB of memory in use. ENERGY: 1329800 777.7182 2121.5763 1958.6363 119.3077 -206410.9449 17629.5639 0.0000 0.0000 34304.2699 -149499.8728 299.5877 -183804.1427 -149401.7292 299.1504 -193.6416 -161.7866 556196.8762 14.4027 14.4086 PRESSURE: 1330000 -23.7448 -44.5254 168.015 -44.5256 -96.115 -129.672 168.014 -129.671 17.4669 GPRESSURE: 1330000 3.74784 -68.2438 190.222 -29.4068 -7.14909 -115.937 127.568 -44.0111 11.8834 PRESSAVG: 1330000 -10.5898 28.2012 14.9936 28.2011 -21.7675 1.71264 14.9936 1.71254 -0.920406 GPRESSAVG: 1330000 -9.0408 26.6753 15.5599 28.2948 -20.8948 0.466445 14.531 2.70185 -2.94071 TIMING: 1330000 CPU: 4002.13, 0.00300512/step Wall: 4002.13, 0.00300512/step, 3.06355 hours remaining, 207.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1330000 708.7690 2109.4652 1953.1124 100.4333 -206476.8649 17716.3850 0.0000 0.0000 34380.6812 -149508.0188 300.2550 -183888.7000 -149407.5171 298.7580 -34.1310 2.8274 556344.6226 -11.0926 -10.9588 PRESSURE: 1330200 -28.9712 -59.1287 -49.2393 -59.1287 -157.526 94.5813 -49.2399 94.5805 15.409 GPRESSURE: 1330200 29.1652 -131.165 -26.6853 -40.0626 -128.597 205.741 -38.3257 23.8046 32.82 PRESSAVG: 1330200 -32.9237 15.6382 2.07909 15.6382 -1.85458 8.9553 2.07909 8.95525 69.3016 GPRESSAVG: 1330200 -33.1649 16.9108 0.311117 13.6658 -2.65726 8.4819 2.56562 7.30464 70.5603 TIMING: 1330200 CPU: 4002.73, 0.00299749/step Wall: 4002.73, 0.00299749/step, 3.0556 hours remaining, 207.507812 MB of memory in use. ENERGY: 1330200 732.0586 2108.0356 1942.8500 99.2044 -206403.9312 17746.2085 0.0000 0.0000 34328.4226 -149447.1515 299.7987 -183775.5741 -149343.0438 298.9848 -57.0295 -22.2040 556306.8149 11.5078 11.5794 PRESSURE: 1330400 157.352 -75.4855 -136.017 -75.4848 60.4716 16.1619 -136.019 16.1644 92.7678 GPRESSURE: 1330400 113.048 -81.4548 -101.039 39.0368 89.1508 22.8617 -259.199 10.2135 200.304 PRESSAVG: 1330400 11.7076 -55.5126 -52.1802 -55.5126 -10.5161 -4.71245 -52.1802 -4.7124 7.73591 GPRESSAVG: 1330400 11.6082 -52.175 -51.0631 -57.3632 -10.113 -5.53294 -52.1442 -1.34729 7.24566 TIMING: 1330400 CPU: 4003.34, 0.00302156/step Wall: 4003.34, 0.00302156/step, 3.07998 hours remaining, 207.507812 MB of memory in use. ENERGY: 1330400 743.5781 2123.3232 1956.2528 120.8132 -206350.0172 17916.8551 0.0000 0.0000 34169.4358 -149319.7589 298.4102 -183489.1947 -149227.9880 299.5127 103.5306 134.1677 557053.3711 2.9758 2.9136 PRESSURE: 1330600 84.8584 -94.5778 -103.032 -94.5777 -297.124 -5.97571 -103.032 -5.97655 -276.972 GPRESSURE: 1330600 40.8398 -71.8261 -15.7236 -164.927 -250.395 -31.1253 -211.215 -19.5705 -199.143 PRESSAVG: 1330600 -27.3148 -11.6962 -16.1048 -11.6964 -18.5165 -32.6594 -16.1048 -32.6593 22.808 GPRESSAVG: 1330600 -29.3224 -17.0566 -14.543 -8.72693 -18.4921 -29.5605 -16.3389 -37.6122 24.2867 TIMING: 1330600 CPU: 4003.94, 0.00300568/step Wall: 4003.94, 0.00300568/step, 3.06363 hours remaining, 207.507812 MB of memory in use. ENERGY: 1330600 760.2054 2124.7477 1940.4352 117.2137 -205895.4128 17375.4597 0.0000 0.0000 34318.0384 -149259.3127 299.7080 -183577.3511 -149161.9170 299.5083 -163.0794 -136.2325 556720.7977 -7.6745 -7.8426 PRESSURE: 1330800 -273.294 -67.5156 77.2425 -67.5154 17.1441 -5.25419 77.2428 -5.25313 27.3544 GPRESSURE: 1330800 -227.388 -15.5029 26.5009 -33.0876 4.32867 -11.7472 108.362 -15.3392 92.8323 PRESSAVG: 1330800 -31.6342 -35.1576 -10.3043 -35.1575 19.9598 2.3763 -10.3043 2.3762 32.6951 GPRESSAVG: 1330800 -29.9248 -31.3635 -11.6897 -35.2943 18.9042 0.549197 -9.74659 3.87303 32.021 TIMING: 1330800 CPU: 4004.54, 0.00299231/step Wall: 4004.54, 0.00299231/step, 3.04983 hours remaining, 207.507812 MB of memory in use. ENERGY: 1330800 770.8827 2115.3267 1963.8898 123.8525 -206017.0918 17744.7349 0.0000 0.0000 34222.1065 -149076.2987 298.8702 -183298.4052 -148978.8582 299.4617 -76.2651 -43.4088 556448.8156 7.0069 7.0002 PRESSURE: 1331000 -299.03 -69.4552 -136.18 -69.4549 -172.683 2.23984 -136.18 2.23957 -101.106 GPRESSURE: 1331000 -264.686 -88.9287 -126.873 6.85341 -129.804 43.0746 -166.901 -9.80266 -68.8167 PRESSAVG: 1331000 -52.6474 11.1137 -44.3737 11.1137 31.3516 12.6647 -44.3737 12.6647 5.33914 GPRESSAVG: 1331000 -53.7889 10.0068 -44.0275 10.3776 31.0503 13.7341 -46.5012 13.706 6.57075 TIMING: 1331000 CPU: 4005.13, 0.00297467/step Wall: 4005.13, 0.00297467/step, 3.03168 hours remaining, 207.507812 MB of memory in use. ENERGY: 1331000 740.4998 2106.5846 1972.3317 107.7120 -205560.1297 17377.3461 0.0000 0.0000 34103.2217 -149152.4338 297.8319 -183255.6556 -149057.0631 299.3914 -190.9396 -154.4355 558331.1175 -5.3189 -5.3893 PRESSURE: 1331200 -27.0212 55.2268 34.1992 55.2277 -233.504 57.1371 34.199 57.1349 -54.3724 GPRESSURE: 1331200 11.7231 53.6123 19.5477 83.2081 -168.389 23.1986 -4.09781 63.6197 -57.2708 PRESSAVG: 1331200 -3.3478 -12.1862 -104.803 -12.1862 -46.2636 47.126 -104.803 47.1259 28.0807 GPRESSAVG: 1331200 -3.13169 -11.3928 -104.65 -12.4182 -46.0065 44.7087 -101.72 48.3081 27.7028 TIMING: 1331200 CPU: 4005.73, 0.00300457/step Wall: 4005.73, 0.00300457/step, 3.06199 hours remaining, 207.507812 MB of memory in use. ENERGY: 1331200 748.0821 2127.4740 1973.5067 125.6350 -206093.6823 17700.8799 0.0000 0.0000 34246.2601 -149171.8446 299.0811 -183418.1047 -149074.2085 299.4592 -104.9659 -71.3122 559306.4381 -7.1769 -7.1451 PRESSURE: 1331400 146.99 121.768 62.4903 121.768 -113.357 -11.0737 62.4915 -11.0732 -125.274 GPRESSURE: 1331400 174.46 140.301 38.3542 108.929 -69.4654 37.7622 -40.0959 17.2812 -101.071 PRESSAVG: 1331400 35.8731 25.6507 -23.524 25.6508 -58.4994 10.2837 -23.524 10.2838 6.93026 GPRESSAVG: 1331400 36.5311 23.8741 -22.1447 25.4284 -58.689 11.4637 -24.972 8.35065 6.25191 TIMING: 1331400 CPU: 4006.34, 0.0030423/step Wall: 4006.34, 0.0030423/step, 3.10027 hours remaining, 207.574219 MB of memory in use. ENERGY: 1331400 786.4337 2144.8055 1933.0990 112.2791 -206214.3762 17883.6489 0.0000 0.0000 34191.7042 -149162.4058 298.6047 -183354.1100 -149068.1900 299.2376 -30.5470 1.3077 557696.2681 -5.2320 -5.3020 PRESSURE: 1331600 -27.1383 -151.249 58.3366 -151.251 -97.3737 -81.3951 58.337 -81.3944 92.1195 GPRESSURE: 1331600 7.49353 -103.642 117.376 -193.048 -70.3269 -102.756 91.0135 58.734 116.402 PRESSAVG: 1331600 47.8128 59.3812 -27.4425 59.3811 -49.7594 34.8994 -27.4425 34.8996 9.7611 GPRESSAVG: 1331600 47.3417 60.616 -29.5011 60.1857 -50.1368 35.5798 -27.3266 35.0567 10.4966 TIMING: 1331600 CPU: 4006.95, 0.00305541/step Wall: 4006.95, 0.00305541/step, 3.11346 hours remaining, 207.574219 MB of memory in use. ENERGY: 1331600 763.8136 2130.3810 1949.7459 104.1577 -206429.6820 17883.8355 0.0000 0.0000 34426.6985 -149171.0497 300.6569 -183597.7482 -149070.0043 299.6160 -10.7975 17.8562 556694.2720 2.6048 2.5672 PRESSURE: 1331800 10.4271 3.15663 20.9397 3.15599 275.607 -183.296 20.9385 -183.294 -50.4552 GPRESSURE: 1331800 43.685 -56.4598 22.3618 61.6766 328.682 -234.049 3.97096 -116.044 -42.295 PRESSAVG: 1331800 -11.6404 -39.4063 7.11212 -39.4063 -7.72505 -44.8656 7.11214 -44.8657 14.9171 GPRESSAVG: 1331800 -11.696 -36.9656 7.24395 -40.8476 -6.74981 -45.9351 9.02519 -44.4959 13.8811 TIMING: 1331800 CPU: 4007.56, 0.00302813/step Wall: 4007.56, 0.00302813/step, 3.0855 hours remaining, 207.574219 MB of memory in use. ENERGY: 1331800 715.0285 2107.8529 1937.5131 118.3638 -206157.8344 17804.7852 0.0000 0.0000 34142.5006 -149331.7904 298.1749 -183474.2910 -149232.3544 299.3379 78.5263 110.0238 556539.7272 -1.4828 -1.5216 PRESSURE: 1332000 245.564 -5.78875 -15.6662 -5.7889 37.2641 -20.2449 -15.667 -20.2449 29.7104 GPRESSURE: 1332000 245.406 2.64949 50.243 53.2024 136.156 -58.248 -11.7059 -34.0594 20.268 PRESSAVG: 1332000 -70.3657 10.3867 -31.6115 10.3867 99.542 -23.9437 -31.6116 -23.9437 -25.1317 GPRESSAVG: 1332000 -70.4788 7.28817 -30.8519 12.4071 99.7793 -22.4642 -32.7971 -22.7648 -25.4592 TIMING: 1332000 CPU: 4008.16, 0.00300112/step Wall: 4008.16, 0.00300112/step, 3.05781 hours remaining, 207.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1332000 722.9698 2078.2637 1956.5661 108.7379 -206335.2024 17916.9691 0.0000 0.0000 34363.6041 -149188.0918 300.1059 -183551.6959 -149088.4145 299.0112 104.1795 133.9431 556262.2199 1.3482 1.2804 PRESSURE: 1332200 -118.748 40.6044 125.652 40.6041 161.544 -84.6115 125.654 -84.6092 -149.056 GPRESSURE: 1332200 -61.9759 -5.0083 104.894 92.0893 107.379 -103.112 98.2787 -86.7895 -44.2875 PRESSAVG: 1332200 -27.8415 -33.344 -18.5789 -33.344 23.6001 25.4517 -18.579 25.4517 -23.19 GPRESSAVG: 1332200 -27.0092 -32.2347 -18.5552 -34.7707 21.8213 24.4889 -20.3591 24.0279 -22.1311 TIMING: 1332200 CPU: 4008.76, 0.00298843/step Wall: 4008.76, 0.00298843/step, 3.04471 hours remaining, 207.574219 MB of memory in use. ENERGY: 1332200 761.8603 2169.1829 1936.2290 123.5438 -206136.2494 17699.3089 0.0000 0.0000 34239.9168 -149206.2077 299.0257 -183446.1246 -149113.2957 299.7672 -35.4198 0.3719 556731.4854 -9.1438 -9.1063 LDB: ============= START OF LOAD BALANCING ============== 4012.27 LDB: ============== END OF LOAD BALANCING =============== 4012.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4012.28 LDB: ============= START OF LOAD BALANCING ============== 4012.58 LDB: Largest compute 4800 load 0.028759 is 24.4% of average load 0.117825 LDB: Average compute 0.001744 is 1.5% of average load 0.117825 LDB: TIME 4012.58 LOAD: AVG 0.117825 MAX 0.214282 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.785 MB LDB: TIME 4012.58 LOAD: AVG 0.117825 MAX 0.214282 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.852 MB LDB: TIME 4012.58 LOAD: AVG 0.117825 MAX 0.214282 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.852 MB LDB: ============== END OF LOAD BALANCING =============== 4012.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4012.59 PRESSURE: 1332400 -108.524 -129.811 -323.735 -129.81 -175.923 -15.4219 -323.734 -15.4196 -353.175 GPRESSURE: 1332400 -58.0367 -73.9988 -229.714 -232.369 -226.487 7.5029 -363.697 -40.0247 -268.074 PRESSAVG: 1332400 35.9928 -24.9684 -11.1891 -24.9685 27.3929 -1.2716 -11.1892 -1.27153 -56.8709 GPRESSAVG: 1332400 36.866 -26.3213 -10.2822 -24.2892 27.5066 -2.13512 -10.3905 0.394851 -58.1072 TIMING: 1332400 CPU: 4009.37, 0.00308088/step Wall: 4009.37, 0.00308088/step, 3.13873 hours remaining, 208.132812 MB of memory in use. ENERGY: 1332400 781.1227 2150.5353 1923.5517 123.3221 -205923.7119 17431.8322 0.0000 0.0000 34471.3981 -149041.9499 301.0473 -183513.3479 -148953.1893 300.4777 -212.5405 -184.1991 557441.0552 2.1716 2.0885 PRESSURE: 1332600 91.1052 -81.8407 1.42475 -81.8413 93.0672 167.095 1.42518 167.096 133.148 GPRESSURE: 1332600 97.7195 3.56847 -36.2294 -96.843 154.968 217.656 103.088 136.224 162.891 PRESSAVG: 1332600 -9.94012 -68.0992 -28.3566 -68.0992 109.128 21.2947 -28.3566 21.2948 -45.6607 GPRESSAVG: 1332600 -10.1336 -66.8497 -30.8181 -67.8961 109.395 21.6046 -28.7491 21.354 -46.1446 TIMING: 1332600 CPU: 4009.98, 0.00301248/step Wall: 4009.98, 0.00301248/step, 3.06888 hours remaining, 208.203125 MB of memory in use. ENERGY: 1332600 733.0065 2080.7100 1966.7804 98.9989 -206369.7775 18009.7502 0.0000 0.0000 34394.8530 -149085.6785 300.3788 -183480.5315 -148991.1405 301.0531 105.7733 138.5263 556233.5275 17.8424 17.7057 PRESSURE: 1332800 -403.322 -6.06215 99.7923 -6.06262 86.6073 79.5561 99.7945 79.5559 -11.1957 GPRESSURE: 1332800 -368.7 -4.81968 173.423 48.1761 46.7627 83.3555 70.0182 24.1852 100.334 PRESSAVG: 1332800 -68.1151 29.9782 4.25752 29.9782 63.3823 36.6469 4.25753 36.6469 7.2669 GPRESSAVG: 1332800 -68.2889 28.5501 7.94714 31.5983 63.3119 36.5466 2.19147 36.7644 7.32496 TIMING: 1332800 CPU: 4010.58, 0.00301642/step Wall: 4010.58, 0.00301642/step, 3.07272 hours remaining, 208.203125 MB of memory in use. ENERGY: 1332800 727.1953 2103.7550 1903.5399 112.3114 -205615.3944 17605.9309 0.0000 0.0000 34216.6143 -148946.0476 298.8222 -183162.6619 -148839.1614 300.0582 -109.3036 -73.8679 558154.9781 0.8447 0.7827 PRESSURE: 1333000 -154.671 -13.357 -157.764 -13.3563 -9.55474 -229.843 -157.764 -229.842 -208.705 GPRESSURE: 1333000 -95.2757 -60.6275 -182.451 -59.1993 -52.4198 -299.757 -214.988 -174.512 -132.381 PRESSAVG: 1333000 9.7126 35.9091 1.12458 35.909 6.99594 -43.4118 1.12461 -43.4118 -11.5359 GPRESSAVG: 1333000 9.26275 34.9877 -3.68699 35.1904 6.29713 -43.5026 3.1468 -42.441 -10.9879 TIMING: 1333000 CPU: 4011.18, 0.00300757/step Wall: 4011.18, 0.00300757/step, 3.06355 hours remaining, 208.203125 MB of memory in use. ENERGY: 1333000 730.3466 2114.8502 1930.2173 126.3913 -205872.3701 17521.5147 0.0000 0.0000 34414.8282 -149034.2218 300.5533 -183449.0500 -148939.9458 300.4222 -124.3101 -93.3588 558314.3347 1.7242 1.5240 PRESSURE: 1333200 -165.629 -43.1116 81.1858 -43.1133 -31.2635 -89.8133 81.1863 -89.8137 144.369 GPRESSURE: 1333200 -136.785 -105.71 104.611 57.8107 5.07116 -82.1995 64.6097 -108.771 192.234 PRESSAVG: 1333200 -36.84 -49.5948 5.19891 -49.5948 8.10571 4.57032 5.19889 4.5703 32.5445 GPRESSAVG: 1333200 -37.5475 -46.696 7.93718 -49.3862 9.34732 4.24018 4.49018 3.8647 32.0937 TIMING: 1333200 CPU: 4011.79, 0.00304146/step Wall: 4011.79, 0.00304146/step, 3.0979 hours remaining, 208.203125 MB of memory in use. ENERGY: 1333200 757.9756 2077.7670 1944.2387 125.5579 -206289.4543 17768.3459 0.0000 0.0000 34476.8763 -149138.6929 301.0951 -183615.5692 -149040.7454 300.0117 -17.5079 20.1734 557656.4953 1.2701 1.2978 PRESSURE: 1333400 118.921 59.3108 -72.354 59.3122 -55.9495 151.036 -72.353 151.037 -460.522 GPRESSURE: 1333400 159.615 67.3896 -9.47657 87.0718 3.25291 162.634 -125.05 65.1372 -457.118 PRESSAVG: 1333400 -11.5065 61.0861 24.1962 61.086 9.1563 47.0447 24.1962 47.0448 15.5807 GPRESSAVG: 1333400 -10.6858 61.3984 24.4762 60.2548 8.42508 48.7921 23.4885 45.5669 15.317 TIMING: 1333400 CPU: 4012.39, 0.00301594/step Wall: 4012.39, 0.00301594/step, 3.07174 hours remaining, 208.203125 MB of memory in use. ENERGY: 1333400 753.4457 2083.5319 1958.5654 123.2616 -206185.8316 17770.9395 0.0000 0.0000 34263.8514 -149232.2361 299.2347 -183496.0875 -149132.1940 299.1509 -132.5167 -98.0835 559405.9233 4.4101 4.3521 PRESSURE: 1333600 -6.02945 -69.6262 100.764 -69.626 -155.193 -40.0493 100.764 -40.0477 52.0126 GPRESSURE: 1333600 30.6122 -175.284 31.027 -36.5626 -112.236 -85.1535 45.824 45.6489 67.5205 PRESSAVG: 1333600 24.6189 -38.5913 -24.7048 -38.5913 54.3735 17.1975 -24.7049 17.1974 -76.4986 GPRESSAVG: 1333600 24.1909 -40.3278 -27.6201 -38.632 54.3024 15.8188 -23.719 18.7386 -75.0653 TIMING: 1333600 CPU: 4012.99, 0.00300563/step Wall: 4012.99, 0.00300563/step, 3.06107 hours remaining, 208.203125 MB of memory in use. ENERGY: 1333600 758.0671 2150.7425 1944.2216 114.0473 -206482.9237 17919.2027 0.0000 0.0000 34324.8347 -149271.8078 299.7673 -183596.6425 -149173.9524 298.8624 -36.4033 -4.7010 558861.3440 0.8312 1.1427 PRESSURE: 1333800 -377.263 143.962 56.9204 143.961 6.57161 99.5903 56.9205 99.5895 -135.265 GPRESSURE: 1333800 -331.512 10.4949 145.043 176.705 94.2582 137.454 -10.4856 14.649 -174.201 PRESSAVG: 1333800 43.0364 -1.92411 10.7018 -1.92409 -10.0504 -4.58755 10.7018 -4.58753 -30.8804 GPRESSAVG: 1333800 43.3551 -1.56983 15.2017 -1.29466 -9.07067 -4.29177 10.6078 -5.19418 -32.5821 TIMING: 1333800 CPU: 4013.59, 0.00298601/step Wall: 4013.59, 0.00298601/step, 3.04092 hours remaining, 208.203125 MB of memory in use. ENERGY: 1333800 759.8438 2027.7595 1949.9086 111.3591 -206355.5181 17678.5538 0.0000 0.0000 34448.5896 -149379.5036 300.8481 -183828.0932 -149276.7657 299.2079 -168.6521 -137.1517 557568.3985 0.7019 0.5674 PRESSURE: 1334000 57.9984 -74.56 170.653 -74.5603 445.346 6.39618 170.654 6.39659 -243.157 GPRESSURE: 1334000 107.905 -94.915 134.186 -82.277 415.446 -1.7857 183.973 2.15978 -171.832 PRESSAVG: 1334000 -8.01698 6.30397 2.8174 6.30405 18.3764 -3.47318 2.81741 -3.47298 37.2354 GPRESSAVG: 1334000 -7.60274 5.94738 0.260775 5.32738 18.1797 -2.47457 2.22744 -3.02764 37.9575 TIMING: 1334000 CPU: 4014.19, 0.00298358/step Wall: 4014.19, 0.00298358/step, 3.03828 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: 1334000 724.6380 2069.7381 1952.1440 106.7591 -206559.0653 18009.0378 0.0000 0.0000 34119.6169 -149577.1315 297.9751 -183696.7483 -149486.9782 298.4080 86.7291 117.1728 558311.6043 15.8649 16.1782 PRESSURE: 1334200 -34.4146 155.142 45.4314 155.142 -93.1908 126.487 45.4316 126.487 71.4901 GPRESSURE: 1334200 32.4641 150.917 -33.8188 42.3586 -102.938 23.2563 -3.44837 232.69 102.067 PRESSAVG: 1334200 9.02276 -9.4212 -16.1037 -9.42117 62.4943 -55.144 -16.1038 -55.144 -16.3432 GPRESSAVG: 1334200 8.77028 -7.83006 -13.8969 -10.3766 62.7483 -55.3739 -15.615 -55.7757 -16.5178 TIMING: 1334200 CPU: 4014.79, 0.00299432/step Wall: 4014.79, 0.00299432/step, 3.04905 hours remaining, 208.203125 MB of memory in use. ENERGY: 1334200 761.0023 2082.3663 1915.8771 102.1211 -206684.7667 17962.7477 0.0000 0.0000 34345.3420 -149515.3102 299.9464 -183860.6522 -149412.9329 298.2635 -18.7051 10.5310 557168.1746 18.3913 18.3336 PRESSURE: 1334400 145.315 52.5547 -9.59453 52.5555 38.9948 -19.2901 -9.59446 -19.2905 108.038 GPRESSURE: 1334400 207.392 21.9338 4.61636 55.6884 73.4943 -44.364 4.35259 3.13802 117.877 PRESSAVG: 1334400 27.2864 -37.2911 9.97156 -37.2911 6.08504 37.1495 9.9716 37.1493 -48.0196 GPRESSAVG: 1334400 26.9165 -38.9367 9.38098 -36.6786 7.45995 34.7165 9.76543 38.2336 -49.2237 TIMING: 1334400 CPU: 4015.39, 0.00299941/step Wall: 4015.39, 0.00299941/step, 3.05406 hours remaining, 208.203125 MB of memory in use. ENERGY: 1334400 774.7601 2103.7926 1923.6575 105.6107 -206461.4661 17978.0224 0.0000 0.0000 34151.7331 -149423.8896 298.2556 -183575.6228 -149329.0278 298.8692 97.4495 132.9212 556666.6465 -4.8827 -4.9491 PRESSURE: 1334600 -0.572633 2.78166 -28.8788 2.78224 -89.7659 105.042 -28.8773 105.042 -75.2312 GPRESSURE: 1334600 -20.6814 -54.3995 -7.10807 -56.7637 -1.42038 20.4222 -13.4027 169.447 -33.9204 PRESSAVG: 1334600 51.1409 -1.75717 -8.87178 -1.75709 -13.4441 12.6171 -8.87179 12.6171 -65.7581 GPRESSAVG: 1334600 51.6061 -1.56499 -10.0038 0.334988 -15.4958 13.424 -7.74519 12.0558 -63.6361 TIMING: 1334600 CPU: 4015.98, 0.00297694/step Wall: 4015.98, 0.00297694/step, 3.03102 hours remaining, 208.203125 MB of memory in use. ENERGY: 1334600 746.2806 2087.2184 1923.9108 126.0049 -206505.2101 17786.6657 0.0000 0.0000 34298.1276 -149537.0021 299.5341 -183835.1297 -149443.4477 298.5830 -55.1899 -18.6740 556585.8176 -9.3538 -9.1753 PRESSURE: 1334800 29.978 96.5472 -112.419 96.5471 121.178 -58.2698 -112.419 -58.2698 -109.088 GPRESSURE: 1334800 95.053 80.0713 -86.3159 115.552 85.5297 -61.1791 -174.354 -66.6364 -38.91 PRESSAVG: 1334800 7.42525 -13.4425 -37.8985 -13.4426 109.997 -16.0517 -37.8985 -16.0518 -120.747 GPRESSAVG: 1334800 7.56114 -13.1968 -36.6487 -15.7302 110.656 -15.1341 -40.3023 -15.5474 -121.547 TIMING: 1334800 CPU: 4016.58, 0.00301661/step Wall: 4016.58, 0.00301661/step, 3.07125 hours remaining, 208.203125 MB of memory in use. ENERGY: 1334800 752.2165 2152.1546 1917.2960 109.3792 -205920.4834 17638.8536 0.0000 0.0000 34035.8545 -149314.7291 297.2436 -183350.5836 -149220.3678 298.4573 14.0226 47.2242 557000.4746 -1.1083 -1.1100 PRESSURE: 1335000 -110.178 120.321 44.2327 120.321 -7.99776 17.1419 44.2329 17.1423 -33.8337 GPRESSURE: 1335000 -10.0315 91.3336 -11.4996 37.4608 -65.1886 2.80071 -0.778213 39.0314 34.9267 PRESSAVG: 1335000 63.5722 -10.0762 12.6292 -10.0762 -16.1417 -20.451 12.6293 -20.451 -48.3357 GPRESSAVG: 1335000 63.4878 -11.6759 12.4405 -8.98863 -15.758 -22.079 12.662 -21.1348 -48.5334 TIMING: 1335000 CPU: 4017.18, 0.00296027/step Wall: 4017.18, 0.00296027/step, 3.01372 hours remaining, 208.203125 MB of memory in use. ENERGY: 1335000 787.5690 2127.6535 1925.2921 109.6199 -206288.7320 17705.5189 0.0000 0.0000 34326.1297 -149306.9487 299.7786 -183633.0784 -149204.1957 299.0925 -50.6697 -13.4312 556147.5751 -0.3017 -0.2678 PRESSURE: 1335200 -275.915 104.987 40.5387 104.986 -157.849 -43.1941 40.5399 -43.1937 59.9048 GPRESSURE: 1335200 -235.325 16.9504 83.6774 113.994 -97.6324 -20.6743 27.952 -59.7803 60.7305 PRESSAVG: 1335200 27.1237 -8.56441 68.6101 -8.56433 -4.41659 18.4568 68.6101 18.4569 -0.976781 GPRESSAVG: 1335200 27.1033 -8.4173 69.1006 -9.24579 -4.6995 20.5628 69.2183 17.6436 -0.90692 TIMING: 1335200 CPU: 4017.77, 0.00295254/step Wall: 4017.77, 0.00295254/step, 3.00569 hours remaining, 208.203125 MB of memory in use. ENERGY: 1335200 759.9896 2168.8231 1945.3461 100.4033 -206083.6374 17737.0733 0.0000 0.0000 34104.1226 -149267.8793 297.8398 -183372.0019 -149170.1135 299.7630 -124.6198 -90.7424 557980.2431 7.2434 7.1656 PRESSURE: 1335400 -60.7386 19.3742 115.667 19.3747 -72.964 1.29385 115.667 1.29351 98.499 GPRESSURE: 1335400 17.7638 67.966 144.423 -4.23943 -93.366 42.128 112.834 0.898283 125.263 PRESSAVG: 1335400 74.079 -3.77775 18.0231 -3.77768 -63.5662 -38.1242 18.023 -38.1242 44.8716 GPRESSAVG: 1335400 75.2424 -2.96721 19.5301 -3.16023 -64.9301 -36.3153 17.7964 -37.2177 44.8519 TIMING: 1335400 CPU: 4018.36, 0.0029746/step Wall: 4018.36, 0.0029746/step, 3.02798 hours remaining, 208.203125 MB of memory in use. ENERGY: 1335400 740.4625 2047.6909 1959.7594 117.7858 -206388.5715 17788.8937 0.0000 0.0000 34404.7479 -149329.2314 300.4652 -183733.9792 -149234.9130 299.7159 -11.7345 16.5537 555492.1819 18.4615 18.3881 PRESSURE: 1335600 43.7986 28.4702 -45.7077 28.4696 -284.078 -53.539 -45.7084 -53.5379 -428.039 GPRESSURE: 1335600 43.814 71.4734 -73.4432 -65.1492 -246.911 -28.6277 -11.931 -40.5124 -354.215 PRESSAVG: 1335600 -37.6612 49.1454 0.49802 49.1454 -20.647 30.7749 0.497991 30.7748 10.1457 GPRESSAVG: 1335600 -37.8095 49.2283 -1.48478 48.9981 -20.9068 31.7218 0.735182 28.2594 10.3058 TIMING: 1335600 CPU: 4018.96, 0.00298497/step Wall: 4018.96, 0.00298497/step, 3.03837 hours remaining, 208.203125 MB of memory in use. ENERGY: 1335600 761.6593 2108.5834 1914.9951 111.4301 -206071.8616 17630.8471 0.0000 0.0000 34304.3077 -149240.0389 299.5881 -183544.3466 -149146.0760 299.6897 -222.7727 -185.7707 557951.3654 -16.0542 -16.1369 PRESSURE: 1335800 133.621 -35.3737 94.1046 -35.3747 134.943 50.6232 94.1046 50.6218 -229.395 GPRESSURE: 1335800 156.721 4.11201 51.9325 6.31346 137.088 27.8794 119.093 20.604 -157.605 PRESSAVG: 1335800 57.4194 -48.8732 -13.4199 -48.8733 16.8791 -15.9771 -13.4199 -15.9772 -85.0623 GPRESSAVG: 1335800 56.1835 -47.527 -12.8985 -50.8483 18.5593 -17.3427 -13.8922 -15.3862 -85.2384 TIMING: 1335800 CPU: 4019.56, 0.00298218/step Wall: 4019.56, 0.00298218/step, 3.03536 hours remaining, 208.203125 MB of memory in use. ENERGY: 1335800 741.2923 2110.9724 1920.3440 110.6807 -206490.1315 18015.4782 0.0000 0.0000 34257.3543 -149334.0098 299.1780 -183591.3640 -149242.1278 299.5746 13.0563 45.4017 557546.6481 -3.5880 -3.4985 PRESSURE: 1336000 -100.669 82.0677 45.1274 82.0681 -0.496733 51.371 45.1265 51.3701 -49.213 GPRESSURE: 1336000 -55.2969 73.4257 39.0875 109.886 -7.55028 -27.2571 71.8853 80.4687 20.6934 PRESSAVG: 1336000 4.27542 34.2354 -36.3025 34.2354 -26.4384 7.94145 -36.3025 7.94136 47.9499 GPRESSAVG: 1336000 4.93835 33.0437 -38.3776 34.5519 -27.7113 7.77473 -35.8547 9.37 48.4552 TIMING: 1336000 CPU: 4020.15, 0.0029901/step Wall: 4020.15, 0.0029901/step, 3.04326 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: 1336000 746.5003 2157.9004 1917.1690 108.7071 -206240.0779 17692.8927 0.0000 0.0000 34289.6719 -149327.2366 299.4602 -183616.9084 -149230.5936 299.7725 -50.1261 -14.0513 558011.1529 8.5956 8.5607 PRESSURE: 1336200 142.095 -21.8283 -124.764 -21.8279 -250.788 -20.7749 -124.762 -20.7733 -49.4808 GPRESSURE: 1336200 145.202 -52.2407 -160.083 6.5766 -210.385 29.402 -131.051 -76.0404 5.26612 PRESSAVG: 1336200 16.2255 -2.50216 -32.0343 -2.50209 -22.6099 60.3462 -32.0342 60.3462 45.0361 GPRESSAVG: 1336200 16.3253 -4.04173 -29.9613 -0.892425 -21.24 60.5068 -32.15 59.2236 43.4344 TIMING: 1336200 CPU: 4020.77, 0.0030747/step Wall: 4020.77, 0.0030747/step, 3.12919 hours remaining, 208.203125 MB of memory in use. ENERGY: 1336200 695.5825 2136.2528 1920.7831 112.8226 -205963.0605 17630.2135 0.0000 0.0000 34195.3731 -149272.0329 298.6367 -183467.4060 -149178.1302 299.7425 -52.7248 -19.9726 558725.5256 12.8839 12.8399 LDB: ============= START OF LOAD BALANCING ============== 4024.29 LDB: ============== END OF LOAD BALANCING =============== 4024.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4024.29 LDB: ============= START OF LOAD BALANCING ============== 4024.59 LDB: Largest compute 4800 load 0.028489 is 24.2% of average load 0.117867 LDB: Average compute 0.001734 is 1.5% of average load 0.117867 LDB: TIME 4024.59 LOAD: AVG 0.117867 MAX 0.215125 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.621 MB LDB: TIME 4024.59 LOAD: AVG 0.117867 MAX 0.215125 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.688 MB LDB: TIME 4024.59 LOAD: AVG 0.117867 MAX 0.215125 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.688 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4024.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4024.6 PRESSURE: 1336400 66.3349 -21.1871 -55.5898 -21.1863 -103.376 65.6197 -55.5894 65.6182 -146.634 GPRESSURE: 1336400 52.1508 28.3145 -71.1864 -46.9834 -57.9394 121.704 25.2109 94.0223 -89.4203 PRESSAVG: 1336400 58.2645 -19.0194 -107.224 -19.0195 -97.3876 4.61015 -107.224 4.61002 13.9054 GPRESSAVG: 1336400 57.8609 -18.0347 -108.736 -18.7029 -97.2749 2.36568 -107.919 6.74698 14.4105 TIMING: 1336400 CPU: 4021.38, 0.00307734/step Wall: 4021.38, 0.00307734/step, 3.13171 hours remaining, 208.527344 MB of memory in use. ENERGY: 1336400 778.8244 2099.4192 1952.6872 106.8544 -206202.4032 17848.3928 0.0000 0.0000 34287.5866 -149128.6387 299.4420 -183416.2253 -149032.5432 299.4174 -61.2253 -31.7363 559459.2820 -8.4059 -8.3345 PRESSURE: 1336600 -291.279 -196.552 -26.2338 -196.552 -96.8546 56.4251 -26.2321 56.4255 91.7723 GPRESSURE: 1336600 -193.777 -124.443 24.3477 -263.028 -152.897 68.7092 -92.2864 114.188 137.948 PRESSAVG: 1336600 3.5406 -36.285 -52.1533 -36.2849 -64.5966 -2.67302 -52.1534 -2.67284 59.5857 GPRESSAVG: 1336600 3.78254 -35.241 -52.5652 -37.4726 -66.0081 -0.929064 -51.6823 -4.87505 60.7277 TIMING: 1336600 CPU: 4021.99, 0.00300827/step Wall: 4021.99, 0.00300827/step, 3.06125 hours remaining, 208.730469 MB of memory in use. ENERGY: 1336600 728.3365 2101.6454 1935.5863 111.0299 -205891.0124 17548.5914 0.0000 0.0000 34404.4219 -149061.4012 300.4624 -183465.8231 -148967.8283 299.6802 -98.7872 -69.5754 558876.4552 -0.4901 -0.4993 PRESSURE: 1336800 -21.8974 -34.1912 -79.3867 -34.1913 -43.5698 -112.349 -79.3868 -112.35 253.493 GPRESSURE: 1336800 -16.1799 -32.198 -152.992 -100.266 -13.824 -105.955 -76.5864 -39.9277 321.484 PRESSAVG: 1336800 -12.1049 -21.7048 -92.7509 -21.7047 -27.4941 -26.8736 -92.751 -26.8737 41.8233 GPRESSAVG: 1336800 -12.3542 -22.3263 -92.3332 -19.1156 -26.2734 -27.5678 -92.6312 -27.0185 40.9596 TIMING: 1336800 CPU: 4022.59, 0.00301614/step Wall: 4022.59, 0.00301614/step, 3.06909 hours remaining, 208.730469 MB of memory in use. ENERGY: 1336800 709.6474 2082.8566 1918.3133 116.4204 -206254.2897 17941.7702 0.0000 0.0000 34366.3385 -149118.9432 300.1298 -183485.2817 -149022.1865 299.5679 62.6752 97.1599 557941.4543 0.7414 0.7773 PRESSURE: 1337000 -63.839 73.4815 38.1434 73.4826 -232.194 -70.4151 38.1429 -70.4148 -59.0595 GPRESSURE: 1337000 0.964343 80.3472 112.899 14.2095 -217.463 -87.51 -32.5464 -34.0509 -30.8905 PRESSAVG: 1337000 -10.761 -60.1663 -70.7331 -60.1664 -15.7818 -32.436 -70.733 -32.436 28.9367 GPRESSAVG: 1337000 -11.632 -60.3543 -70.7676 -60.9084 -14.9509 -29.1327 -69.4191 -30.2407 28.7457 TIMING: 1337000 CPU: 4023.19, 0.00298642/step Wall: 4023.19, 0.00298642/step, 3.03868 hours remaining, 208.730469 MB of memory in use. ENERGY: 1337000 729.4881 2104.6427 1937.5181 121.8792 -205832.3014 17463.8609 0.0000 0.0000 34151.3083 -149323.6040 298.2519 -183474.9124 -149226.4487 299.5711 -118.3642 -82.4629 557836.8374 0.7980 0.7209 PRESSURE: 1337200 -22.9328 -15.9841 -85.6737 -15.983 174.063 76.9093 -85.6737 76.909 67.8221 GPRESSURE: 1337200 54.8622 -79.5119 -117.192 35.1988 242.302 1.6571 -25.0407 146.356 20.8866 PRESSAVG: 1337200 45.9529 -53.6955 -33.4899 -53.6956 -31.8668 -52.8266 -33.49 -52.8266 -21.7213 GPRESSAVG: 1337200 45.6271 -52.4422 -33.4582 -54.3167 -31.9482 -56.3908 -33.1326 -52.4944 -21.591 TIMING: 1337200 CPU: 4023.78, 0.00299068/step Wall: 4023.78, 0.00299068/step, 3.04285 hours remaining, 208.855469 MB of memory in use. ENERGY: 1337200 760.9329 2119.6177 1932.3176 114.6565 -206542.8376 18079.0067 0.0000 0.0000 34100.3327 -149435.9736 297.8067 -183536.3064 -149351.9007 298.8365 72.9840 106.0168 557168.5266 -2.5451 -2.6374 PRESSURE: 1337400 40.676 50.5488 93.3976 50.5492 -267.367 49.8425 93.3973 49.8422 -249.466 GPRESSURE: 1337400 66.0428 66.1631 102.849 90.9401 -239.892 61.933 36.2252 39.4532 -196 PRESSAVG: 1337400 67.5817 5.04132 -4.44881 5.04142 -14.8104 -51.9617 -4.44885 -51.9616 1.02234 GPRESSAVG: 1337400 70.0074 3.97176 -5.0225 5.40498 -16.9112 -49.2627 -7.21525 -52.9731 0.675629 TIMING: 1337400 CPU: 4024.38, 0.00296472/step Wall: 4024.38, 0.00296472/step, 3.01628 hours remaining, 208.855469 MB of memory in use. ENERGY: 1337400 730.1634 2133.8583 1916.8431 120.2778 -205902.2434 17465.7370 0.0000 0.0000 34129.8147 -149405.5492 298.0642 -183535.3638 -149308.1576 298.9423 -158.7189 -123.2833 557463.3772 17.9312 17.9239 PRESSURE: 1337600 73.1195 -12.6782 83.1535 -12.6778 -411.398 69.4871 83.1531 69.4863 -417.162 GPRESSURE: 1337600 27.2741 -28.8697 131.987 -78.188 -357.968 104.085 2.14925 40.0347 -327.539 PRESSAVG: 1337600 17.6939 11.4061 -9.7183 11.406 -30.4493 22.1298 -9.71834 22.1298 -23.1709 GPRESSAVG: 1337600 16.4483 11.7621 -9.54567 9.76414 -29.2009 22.438 -9.5792 20.3793 -22.6961 TIMING: 1337600 CPU: 4024.98, 0.00299657/step Wall: 4024.98, 0.00299657/step, 3.04851 hours remaining, 208.855469 MB of memory in use. ENERGY: 1337600 767.8794 2157.9383 1906.6911 111.6545 -205755.1898 17384.9257 0.0000 0.0000 34163.0833 -149263.0174 298.3547 -183426.1008 -149167.5801 298.8873 -251.8135 -219.4107 557557.6594 -11.9754 -11.8162 PRESSURE: 1337800 -39.2649 80.1315 52.1547 80.1314 -110.847 -208.402 52.1536 -208.4 -219.911 GPRESSURE: 1337800 11.6254 138.652 13.7208 100.122 -120.669 -166.581 12.3211 -203.24 -169.65 PRESSAVG: 1337800 26.1053 -17.7587 30.2001 -17.7587 -42.5732 11.5302 30.2001 11.5301 17.0145 GPRESSAVG: 1337800 26.8476 -17.3676 30.9704 -15.9812 -43.2515 11.4259 30.9987 10.5699 16.1731 TIMING: 1337800 CPU: 4025.58, 0.00300426/step Wall: 4025.58, 0.00300426/step, 3.05616 hours remaining, 208.855469 MB of memory in use. ENERGY: 1337800 789.4123 2103.8888 1917.9073 123.7968 -206258.9039 17841.3001 0.0000 0.0000 34299.1822 -149183.4165 299.5433 -183482.5987 -149090.3952 299.4843 -123.3406 -92.8977 559338.9916 0.1822 -0.0769 PRESSURE: 1338000 -206.403 78.3856 134.47 78.3853 -70.685 170.235 134.469 170.238 157.978 GPRESSURE: 1338000 -165.392 -16.2062 127.059 78.6169 -1.02236 114.119 52.2924 240.213 139.972 PRESSAVG: 1338000 -33.389 -14.7849 85.645 -14.7849 -40.8374 20.0924 85.645 20.0925 46.2413 GPRESSAVG: 1338000 -33.8411 -17.2372 85.918 -13.793 -40.4008 18.3364 86.3672 22.7699 46.2722 TIMING: 1338000 CPU: 4026.17, 0.0029683/step Wall: 4026.17, 0.0029683/step, 3.01942 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: 1338000 751.4476 2088.8526 1914.3061 101.2179 -206059.8304 17830.9931 0.0000 0.0000 34094.4461 -149278.5671 297.7553 -183373.0131 -149182.7647 298.9443 -39.7032 -8.8143 558473.8755 -9.3284 -9.3232 PRESSURE: 1338200 110.446 62.8232 -26.1117 62.8231 242.051 -26.7865 -26.1121 -26.7839 90.8873 GPRESSURE: 1338200 85.1008 74.1704 21.3405 -41.1794 311.9 49.9641 -60.594 -63.7424 145.013 PRESSAVG: 1338200 12.541 -20.1893 54.4466 -20.1892 -24.2258 53.7217 54.4466 53.7217 74.1995 GPRESSAVG: 1338200 14.0476 -19.955 53.6114 -22.0938 -25.8294 55.4191 52.0273 51.8703 74.1325 TIMING: 1338200 CPU: 4026.77, 0.00298064/step Wall: 4026.77, 0.00298064/step, 3.0318 hours remaining, 208.855469 MB of memory in use. ENERGY: 1338200 786.4108 2127.4380 1931.1551 105.4732 -206616.4848 18124.9456 0.0000 0.0000 34315.9170 -149225.1452 299.6894 -183541.0622 -149131.4237 299.7987 147.7947 180.6713 558347.2043 20.8383 20.7836 PRESSURE: 1338400 -153.791 -113.13 -178.154 -113.131 -28.2467 -51.8015 -178.154 -51.8002 163.435 GPRESSURE: 1338400 -79.3358 -45.1351 -179.704 -37.3771 -26.9442 -39.2775 -239.905 -15.0861 187.197 PRESSAVG: 1338400 -29.508 -11.0555 -6.42567 -11.0556 -3.04191 -33.9582 -6.42569 -33.9581 43.0422 GPRESSAVG: 1338400 -30.6928 -8.67957 -6.22032 -12.9138 -1.52 -34.6522 -5.01035 -33.9431 42.6325 TIMING: 1338400 CPU: 4027.37, 0.00299915/step Wall: 4027.37, 0.00299915/step, 3.05047 hours remaining, 208.855469 MB of memory in use. ENERGY: 1338400 736.9446 2092.0704 1944.3962 111.8322 -206149.6103 17839.4232 0.0000 0.0000 34304.2886 -149120.6552 299.5879 -183424.9439 -149029.9484 299.2663 -6.2009 26.9722 558545.1997 3.4974 3.4732 PRESSURE: 1338600 20.5403 -59.6952 4.03635 -59.6955 -226.57 -106.143 4.03704 -106.144 -24.1376 GPRESSURE: 1338600 60.6504 -124.879 -3.39056 -27.3755 -171.778 -22.2558 -7.83508 -127.65 -25.8397 PRESSAVG: 1338600 29.2676 57.5158 -9.91494 57.5158 -9.68192 14.728 -9.91491 14.7279 18.5166 GPRESSAVG: 1338600 29.9671 55.2485 -10.1755 58.9021 -9.98179 14.882 -9.46781 17.5983 18.176 TIMING: 1338600 CPU: 4027.97, 0.00300815/step Wall: 4027.97, 0.00300815/step, 3.05946 hours remaining, 208.855469 MB of memory in use. ENERGY: 1338600 733.1233 2092.8439 1914.1674 111.3756 -205912.4812 17704.8113 0.0000 0.0000 34267.6376 -149088.5220 299.2678 -183356.1596 -148995.0579 299.1927 -76.7223 -45.6559 558590.7798 12.7008 12.7204 PRESSURE: 1338800 -317.914 -233.831 87.1264 -233.831 -138.506 150.114 87.1251 150.115 -18.9239 GPRESSURE: 1338800 -293.391 -192.837 49.2257 -227.628 -100.359 86.7464 84.7663 166.878 14.9521 PRESSAVG: 1338800 52.1605 -4.84744 20.2641 -4.84742 -47.8286 21.4808 20.2642 21.4808 8.07585 GPRESSAVG: 1338800 51.1225 -3.24292 19.7281 -7.81834 -46.1886 20.0371 19.335 18.6707 7.59093 TIMING: 1338800 CPU: 4028.58, 0.00303148/step Wall: 4028.58, 0.00303148/step, 3.08302 hours remaining, 208.855469 MB of memory in use. ENERGY: 1338800 758.0858 2060.2139 1932.3635 110.5346 -205964.9828 17643.3600 0.0000 0.0000 34552.8785 -148907.5467 301.7589 -183460.4252 -148808.6896 299.4056 -158.4482 -126.2661 558455.5863 4.1359 4.1750 PRESSURE: 1339000 -77.2856 -25.1347 85.5818 -25.1343 -138.242 -96.4303 85.5831 -96.4287 -46.7205 GPRESSURE: 1339000 3.10174 9.58784 114.9 -129.338 -71.892 -85.3049 97.4236 -37.9786 -95.7473 PRESSAVG: 1339000 23.9729 -42.2396 50.0172 -42.2396 -63.2828 -10.5811 50.0172 -10.5812 35.5836 GPRESSAVG: 1339000 25.2585 -44.0843 51.2996 -40.183 -63.3977 -12.2719 49.8247 -11.3443 34.5633 TIMING: 1339000 CPU: 4029.19, 0.00305232/step Wall: 4029.19, 0.00305232/step, 3.10404 hours remaining, 208.855469 MB of memory in use. ENERGY: 1339000 706.2211 2131.1475 1961.8983 112.2226 -205586.5365 17455.7173 0.0000 0.0000 34444.0841 -148775.2456 300.8088 -183219.3297 -148677.3833 300.9882 -87.4161 -54.8459 558514.1970 -1.2421 -1.1919 PRESSURE: 1339200 -94.1186 -5.13293 -36.1179 -5.13313 68.3737 -30.4059 -36.1172 -30.4062 -75.0359 GPRESSURE: 1339200 -19.7836 -16.5291 11.434 14.0332 108.206 -36.7764 32.4591 -136.384 -85.6246 PRESSAVG: 1339200 35.2206 7.3985 -1.95515 7.39854 -65.0891 15.482 -1.95505 15.4821 19.3193 GPRESSAVG: 1339200 35.3528 8.58308 -3.68237 7.15426 -67.4586 16.2494 -1.95451 17.4335 21.6038 TIMING: 1339200 CPU: 4029.8, 0.00305488/step Wall: 4029.8, 0.00305488/step, 3.10647 hours remaining, 208.855469 MB of memory in use. ENERGY: 1339200 735.4731 2091.7318 1914.9212 112.7197 -205825.1036 17763.8852 0.0000 0.0000 34344.3304 -148862.0421 299.9376 -183206.3725 -148762.8752 300.2484 -33.5936 0.9325 558517.0970 -3.5164 -3.5007 PRESSURE: 1339400 76.0767 -29.2527 107.552 -29.2521 -209.078 22.9368 107.553 22.9362 102.517 GPRESSURE: 1339400 70.4229 -38.2842 89.7679 -21.6514 -101.658 91.6132 146.819 -14.4473 106.895 PRESSAVG: 1339400 -15.8139 -4.10817 0.475319 -4.10801 68.141 29.1665 0.475235 29.1664 -28.9252 GPRESSAVG: 1339400 -15.6857 -4.335 0.21104 -3.27814 70.2945 30.0452 0.696399 29.5922 -31.6469 TIMING: 1339400 CPU: 4030.41, 0.00304428/step Wall: 4030.41, 0.00304428/step, 3.09552 hours remaining, 208.855469 MB of memory in use. ENERGY: 1339400 723.6404 2098.7258 1936.0288 109.1982 -205827.6139 17666.2079 0.0000 0.0000 34269.3404 -149024.4726 299.2827 -183293.8129 -148932.4657 300.0631 -10.1612 25.2201 558447.0953 7.8007 7.6540 PRESSURE: 1339600 -184.236 -22.2096 35.169 -22.2081 185.745 -127.67 35.1703 -127.669 -207.499 GPRESSURE: 1339600 -161.281 15.496 -7.67807 -68.609 234.489 -140.62 32.1005 -148.863 -192.222 PRESSAVG: 1339600 -27.3294 -3.07142 45.8406 -3.07146 -9.47568 5.79609 45.8407 5.79602 37.1781 GPRESSAVG: 1339600 -29.0699 -3.49366 45.6687 -2.44301 -9.63728 6.13534 45.2379 6.57502 38.6004 TIMING: 1339600 CPU: 4031.01, 0.00303263/step Wall: 4031.01, 0.00303263/step, 3.08351 hours remaining, 208.855469 MB of memory in use. ENERGY: 1339600 764.9954 2145.2996 1922.1107 105.4048 -205996.3847 17619.0156 0.0000 0.0000 34398.7189 -149040.8397 300.4126 -183439.5586 -148939.2510 299.7321 -68.6634 -39.6712 557915.6011 0.1243 -0.0356 PRESSURE: 1339800 -40.8514 -104.995 76.8549 -104.995 33.6165 13.4328 76.8551 13.4305 71.4279 GPRESSURE: 1339800 28.2422 -58.1938 108.542 -113.29 10.6971 64.2161 45.9832 -15.4711 123.922 PRESSAVG: 1339800 -47.8019 -52.1541 36.2906 -52.1541 31.8199 -31.4378 36.2906 -31.4379 43.3353 GPRESSAVG: 1339800 -46.3041 -52.1553 36.5262 -53.3562 30.6501 -29.5323 39.115 -34.6245 42.7357 TIMING: 1339800 CPU: 4031.62, 0.00302861/step Wall: 4031.62, 0.00302861/step, 3.07925 hours remaining, 208.855469 MB of memory in use. ENERGY: 1339800 750.2099 2132.2078 1926.2840 115.8288 -205987.9556 17766.0876 0.0000 0.0000 34267.5999 -149029.7376 299.2675 -183297.3375 -148940.4122 299.7740 21.3977 54.2871 558027.9372 9.1178 9.0272 PRESSURE: 1340000 -113.388 -65.9828 -100.363 -65.9822 -31.8822 -88.6854 -100.363 -88.6854 -33.3235 GPRESSURE: 1340000 -76.1814 -135.174 -25.3852 -29.7268 -18.9372 -108.649 -185.273 -68.8439 14.5305 PRESSAVG: 1340000 -46.0673 -26.7167 30.7289 -26.7167 9.72496 5.70501 30.7289 5.705 21.5263 GPRESSAVG: 1340000 -47.1627 -27.1264 30.463 -25.4408 8.92763 4.43466 29.8882 6.45788 22.7089 TIMING: 1340000 CPU: 4032.23, 0.00304934/step Wall: 4032.23, 0.00304934/step, 3.10017 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: 1340000 718.5015 2019.1737 1942.3700 122.4479 -206099.6387 17948.1978 0.0000 0.0000 34285.5734 -149063.3744 299.4244 -183348.9478 -148958.7647 299.6031 -59.5313 -26.8627 558897.4625 -4.9387 -5.1754 PRESSURE: 1340200 240.115 -39.1289 115.835 -39.1281 49.7613 93.3058 115.834 93.3052 -153.458 GPRESSURE: 1340200 260.375 -6.1073 125.086 -51.8468 58.8679 105.991 140.025 71.0231 -92.3047 PRESSAVG: 1340200 14.8504 -2.01688 29.0311 -2.01691 -21.4934 4.24327 29.0311 4.24326 -51.1574 GPRESSAVG: 1340200 14.6201 -1.67931 28.5591 -1.17725 -20.3772 3.85273 29.6197 6.20588 -52.1393 TIMING: 1340200 CPU: 4032.84, 0.00304881/step Wall: 4032.84, 0.00304881/step, 3.09945 hours remaining, 208.855469 MB of memory in use. ENERGY: 1340200 737.6867 2103.5897 1964.6312 122.5562 -206060.1288 17816.8341 0.0000 0.0000 34302.3784 -149012.4525 299.5712 -183314.8310 -148918.1532 299.4389 45.4730 75.6461 557714.9652 -19.2668 -19.2988 LDB: ============= START OF LOAD BALANCING ============== 4036.36 LDB: ============== END OF LOAD BALANCING =============== 4036.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4036.36 LDB: ============= START OF LOAD BALANCING ============== 4036.67 LDB: Largest compute 4800 load 0.029487 is 25.0% of average load 0.117827 LDB: Average compute 0.001739 is 1.5% of average load 0.117827 LDB: TIME 4036.67 LOAD: AVG 0.117827 MAX 0.217111 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.629 MB LDB: TIME 4036.67 LOAD: AVG 0.117827 MAX 0.217111 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.629 MB LDB: TIME 4036.67 LOAD: AVG 0.117827 MAX 0.217111 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.629 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4036.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4036.67 PRESSURE: 1340400 -208.695 67.7108 -64.2146 67.7115 -281.209 29.1753 -64.2138 29.176 -323.33 GPRESSURE: 1340400 -154.088 70.3001 -38.3242 21.0286 -307.596 -12.495 -32.4364 15.7536 -249.968 PRESSAVG: 1340400 53.4153 25.3248 38.2628 25.3249 -11.3138 64.8538 38.2628 64.8538 -9.51194 GPRESSAVG: 1340400 53.0541 26.4882 39.6416 24.5208 -10.8767 64.3964 36.9218 63.8289 -9.12686 TIMING: 1340400 CPU: 4033.46, 0.00310509/step Wall: 4033.46, 0.00310509/step, 3.1565 hours remaining, 209.675781 MB of memory in use. ENERGY: 1340400 770.5339 2097.9166 1933.2281 120.0318 -205736.1782 17351.4636 0.0000 0.0000 34390.6021 -149072.4021 300.3417 -183463.0042 -148970.6552 300.0791 -271.0780 -237.2173 559899.3817 10.8632 11.0168 PRESSURE: 1340600 -14.1675 -64.1656 -65.7574 -64.1677 -25.2686 -138.82 -65.758 -138.82 168.83 GPRESSURE: 1340600 -37.1519 -53.089 -122.262 -136.138 25.8314 -180.772 -4.54684 -188.87 238.447 PRESSAVG: 1340600 13.9591 -36.185 -57.3479 -36.185 19.0693 -9.55926 -57.3481 -9.55927 18.9169 GPRESSAVG: 1340600 13.9585 -36.0425 -58.4619 -37.8587 17.0548 -7.91477 -56.393 -8.6219 21.1997 TIMING: 1340600 CPU: 4034.07, 0.00305658/step Wall: 4034.07, 0.00305658/step, 3.10701 hours remaining, 209.812500 MB of memory in use. ENERGY: 1340600 755.1012 2091.4556 1930.2472 109.3001 -206619.5664 18095.8827 0.0000 0.0000 34499.7538 -149137.8257 301.2949 -183637.5796 -149039.7667 300.1612 43.1312 75.7088 557361.8348 17.3151 17.4043 PRESSURE: 1340800 -4.02098 86.1383 70.7188 86.1392 -251.496 -106.355 70.7184 -106.355 154.377 GPRESSURE: 1340800 20.3007 157.294 130.653 47.9086 -169.325 -118.875 97.5562 -136.821 142.648 PRESSAVG: 1340800 25.4447 8.08972 10.5222 8.08968 -6.86759 -17.0816 10.5222 -17.0816 -0.656487 GPRESSAVG: 1340800 26.4837 8.61646 10.8106 9.70697 -5.60106 -18.4325 11.1191 -17.5054 -2.88073 TIMING: 1340800 CPU: 4034.69, 0.00310545/step Wall: 4034.69, 0.00310545/step, 3.15652 hours remaining, 209.812500 MB of memory in use. ENERGY: 1340800 703.5273 2106.8902 1939.4864 114.7248 -206056.9296 17704.2625 0.0000 0.0000 34254.9534 -149233.0850 299.1570 -183488.0384 -149139.3991 298.9965 -33.7134 -2.1254 557688.5928 5.9735 6.0006 PRESSURE: 1341000 -89.505 -115.371 24.0041 -115.372 -80.6657 -23.7239 24.0054 -23.725 -76.101 GPRESSURE: 1341000 -40.2753 -110.364 -18.7503 -165.061 -71.6912 -65.6156 94.7612 -25.9693 -39.7938 PRESSAVG: 1341000 -29.2021 0.368583 25.6431 0.368498 15.0485 17.2654 25.6432 17.2656 43.8867 GPRESSAVG: 1341000 -29.6327 -0.95497 25.0897 0.714236 15.6361 16.0021 25.495 17.8498 43.9574 TIMING: 1341000 CPU: 4035.31, 0.0030844/step Wall: 4035.31, 0.0030844/step, 3.13495 hours remaining, 209.812500 MB of memory in use. ENERGY: 1341000 746.2987 2061.5596 1933.1121 121.6391 -205999.1090 17737.2000 0.0000 0.0000 34237.9945 -149161.3050 299.0089 -183399.2995 -149061.0955 299.6794 -82.0906 -50.5868 558833.4651 9.9110 9.9869 PRESSURE: 1341200 -153.8 -14.5352 83.4858 -14.5357 -117.081 56.7442 83.4849 56.7441 -133.692 GPRESSURE: 1341200 -128.531 -90.6443 101.048 -42.2675 -156.95 22.1935 23.2941 143.978 -10.7951 PRESSAVG: 1341200 -34.8718 4.24208 4.84894 4.24219 3.72736 3.2795 4.84898 3.2795 24.8447 GPRESSAVG: 1341200 -35.7271 3.66222 4.7469 4.88705 4.50705 4.42231 3.64993 4.77156 24.7129 TIMING: 1341200 CPU: 4035.92, 0.00304/step Wall: 4035.92, 0.00304/step, 3.08965 hours remaining, 209.812500 MB of memory in use. ENERGY: 1341200 725.3871 2095.6156 1923.4741 118.9647 -206146.6967 17667.2260 0.0000 0.0000 34541.0249 -149075.0044 301.6554 -183616.0292 -148978.0357 299.8146 -134.8574 -98.7586 558781.8502 -2.0999 -2.1691 PRESSURE: 1341400 -79.911 -44.8383 -55.1987 -44.838 -16.2542 171.181 -55.1994 171.18 78.6345 GPRESSURE: 1341400 -61.1893 -99.2334 -18.5554 -49.4334 16.0786 171.368 -86.3532 158.515 107.362 PRESSAVG: 1341400 -59.4591 -46.6047 48.5695 -46.6048 -14.7265 30.6955 48.5695 30.6955 74.0855 GPRESSAVG: 1341400 -59.6123 -46.2376 49.4094 -46.0673 -14.9806 32.2496 48.5228 26.0702 74.3301 TIMING: 1341400 CPU: 4036.52, 0.00302705/step Wall: 4036.52, 0.00302705/step, 3.07632 hours remaining, 209.812500 MB of memory in use. ENERGY: 1341400 753.9017 2149.4939 1940.7757 114.3657 -206020.1865 17600.8995 0.0000 0.0000 34409.6066 -149051.1436 300.5077 -183460.7502 -148952.0103 299.4644 -5.8436 20.7504 557468.9908 -0.0334 -0.0876 PRESSURE: 1341600 -157.122 24.6881 30.4176 24.6874 -27.1816 -102.152 30.4193 -102.151 -48.0828 GPRESSURE: 1341600 -158.39 77.1827 -54.2687 43.5034 -8.25154 -87.3509 76.3095 -29.6496 31.4087 PRESSAVG: 1341600 -74.0754 -9.11514 14.6769 -9.11522 22.0815 54.3031 14.6769 54.303 55.4088 GPRESSAVG: 1341600 -73.3616 -7.83882 14.3468 -9.88757 21.5909 54.2037 14.9063 55.8494 54.5982 TIMING: 1341600 CPU: 4037.12, 0.00299907/step Wall: 4037.12, 0.00299907/step, 3.04772 hours remaining, 209.812500 MB of memory in use. ENERGY: 1341600 747.1076 2130.6804 1924.0799 122.9219 -205817.8897 17616.9070 0.0000 0.0000 34423.8248 -148852.3681 300.6318 -183276.1928 -148759.6934 300.1575 -77.4620 -45.0777 558613.2102 1.1383 0.9425 PRESSURE: 1341800 -239.655 -8.01537 8.31312 -8.0162 -392.587 28.8311 8.31321 28.8321 -304.75 GPRESSURE: 1341800 -199.895 11.0519 -26.1386 -72.2047 -344.598 29.7362 1.95012 66.9823 -290.114 PRESSAVG: 1341800 -29.5517 25.2036 33.3009 25.2036 -3.76194 17.4545 33.301 17.4545 -1.947 GPRESSAVG: 1341800 -30.4799 24.2048 34.6353 26.784 -3.22372 18.022 34.1688 16.1337 -1.3889 TIMING: 1341800 CPU: 4037.73, 0.00303233/step Wall: 4037.73, 0.00303233/step, 3.08136 hours remaining, 209.812500 MB of memory in use. ENERGY: 1341800 785.4545 2081.4757 1941.2796 128.3814 -205194.3794 17282.8738 0.0000 0.0000 34103.8501 -148871.0643 297.8374 -182974.9144 -148776.4629 300.4778 -312.3306 -278.2024 560354.8043 -11.7535 -11.6975 PRESSURE: 1342000 -35.0328 20.0067 -40.4173 20.0056 -139.822 10.5701 -40.4166 10.5694 96.8765 GPRESSURE: 1342000 -29.6066 -45.8336 -77.3568 -42.514 -78.7464 -38.2686 -118.426 15.8881 117.623 PRESSAVG: 1342000 107.815 -0.75037 -4.01003 -0.750361 -61.7418 16.4351 -4.01003 16.4351 -24.2703 GPRESSAVG: 1342000 107.643 1.39243 -4.67973 -3.41058 -61.1209 14.7102 -4.53827 18.0718 -25.0402 TIMING: 1342000 CPU: 4038.33, 0.00303084/step Wall: 4038.33, 0.00303084/step, 3.07967 hours remaining, 209.812500 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: 1342000 748.9073 2070.6884 1939.2696 121.2330 -206028.6730 17757.1951 0.0000 0.0000 34300.9759 -149090.4036 299.5590 -183391.3795 -148991.1216 299.7747 -25.9928 3.0900 558961.1725 7.2678 7.1607 PRESSURE: 1342200 81.2814 96.5122 -84.5426 96.5125 1.05449 -26.2524 -84.5431 -26.2526 87.0031 GPRESSURE: 1342200 86.1931 114.353 -94.3901 63.3216 65.0904 5.46203 -82.9657 -83.8234 120.875 PRESSAVG: 1342200 41.076 -37.79 22.3066 -37.7899 -62.8076 -47.7355 22.3065 -47.7355 39.7996 GPRESSAVG: 1342200 41.7999 -39.1342 22.9386 -37.4613 -64.4389 -47.6755 21.4989 -46.6074 40.0719 TIMING: 1342200 CPU: 4038.94, 0.00301275/step Wall: 4038.94, 0.00301275/step, 3.06112 hours remaining, 209.812500 MB of memory in use. ENERGY: 1342200 698.8816 2060.0442 1932.5261 96.1294 -206534.2910 18029.9503 0.0000 0.0000 34549.2917 -149167.4678 301.7276 -183716.7595 -149068.3923 299.3450 56.4463 90.7194 558285.7006 6.0227 5.8110 PRESSURE: 1342400 -343.111 134.095 -5.72363 134.095 -50.9103 9.10648 -5.72402 9.10582 -35.0102 GPRESSURE: 1342400 -288.465 196.746 38.1354 172.131 -61.3229 -7.08844 -11.1832 -29.3022 -0.215148 PRESSAVG: 1342400 -44.1985 -4.03088 46.9779 -4.03081 -52.685 6.44094 46.9779 6.44092 84.3758 GPRESSAVG: 1342400 -43.555 -4.68639 45.2156 -3.55049 -53.7037 8.8384 47.174 3.88864 84.9605 TIMING: 1342400 CPU: 4039.54, 0.00301086/step Wall: 4039.54, 0.00301086/step, 3.05904 hours remaining, 209.812500 MB of memory in use. ENERGY: 1342400 765.6437 2102.3860 1929.9576 114.1908 -205889.5488 17537.8755 0.0000 0.0000 34240.2520 -149199.2432 299.0286 -183439.4952 -149094.8936 299.1564 -143.0105 -116.6677 558496.0482 -4.1692 -4.0994 PRESSURE: 1342600 -84.1921 -20.8502 49.2747 -20.8497 -84.6341 -173.268 49.2742 -173.269 -83.4173 GPRESSURE: 1342600 -46.3896 -36.9131 63.3101 54.6481 -64.8146 -247.834 88.9982 -198.937 -30.0835 PRESSAVG: 1342600 24.5966 -28.4363 -20.446 -28.4363 5.48897 -34.2618 -20.446 -34.2617 5.82007 GPRESSAVG: 1342600 24.0391 -28.0993 -19.2522 -29.0917 6.78043 -37.2837 -19.4298 -32.3936 4.75583 TIMING: 1342600 CPU: 4040.14, 0.00298986/step Wall: 4040.14, 0.00298986/step, 3.03753 hours remaining, 209.812500 MB of memory in use. ENERGY: 1342600 721.3460 2131.3527 1948.5548 114.0743 -205909.5783 17737.3510 0.0000 0.0000 34252.1571 -149004.7423 299.1326 -183256.8995 -148916.6639 299.4174 -84.0812 -47.0959 558649.2276 11.9685 11.8585 PRESSURE: 1342800 0.569742 -83.3905 -108.948 -83.3902 -148.122 -105.563 -108.948 -105.564 69.6634 GPRESSURE: 1342800 18.2151 -42.9034 -112.674 -103.451 -146.377 -126.086 -97.1589 -54.161 147.185 PRESSAVG: 1342800 -6.29564 -28.9403 -9.22873 -28.9403 -36.1625 -78.6098 -9.22877 -78.61 2.38009 GPRESSAVG: 1342800 -6.40174 -29.8684 -8.64468 -26.7521 -36.869 -78.76 -11.4448 -78.1043 3.48689 TIMING: 1342800 CPU: 4040.74, 0.00300047/step Wall: 4040.74, 0.00300047/step, 3.04814 hours remaining, 209.812500 MB of memory in use. ENERGY: 1342800 769.9792 2105.0192 1926.0569 94.1031 -206557.3766 18030.1269 0.0000 0.0000 34620.7931 -149011.2983 302.3520 -183632.0914 -148907.1365 300.0901 -25.9630 6.3411 558055.2910 -13.3593 -13.2613 PRESSURE: 1343000 50.9613 -38.3319 61.3008 -38.3314 184.807 48.6174 61.3007 48.6165 143.24 GPRESSURE: 1343000 132.024 -129.191 117.262 -38.4646 187.099 7.80894 -19.8178 110.659 156.593 PRESSAVG: 1343000 -12.7889 48.4934 32.1527 48.4934 -47.3927 -62.2323 32.1527 -62.2323 88.0689 GPRESSAVG: 1343000 -13.5116 47.8198 30.5229 48.6747 -46.1616 -60.2919 33.49 -64.446 88.0503 TIMING: 1343000 CPU: 4041.34, 0.00301726/step Wall: 4041.34, 0.00301726/step, 3.06503 hours remaining, 209.812500 MB of memory in use. ENERGY: 1343000 774.9270 2082.2648 1917.4847 109.8984 -206046.1304 18037.1533 0.0000 0.0000 34359.5505 -148764.8518 300.0705 -183124.4023 -148664.8219 300.5109 126.3363 158.5719 558946.1560 9.2957 9.4591 PRESSURE: 1343200 130.756 -160.926 -33.8454 -160.925 -15.7901 -32.0533 -33.847 -32.054 -86.4186 GPRESSURE: 1343200 163.502 -194.612 -11.5072 -149.134 -10.3279 -34.9436 -87.1871 -66.2944 -16.0125 PRESSAVG: 1343200 55.797 -5.7306 16.832 -5.73054 -35.0919 -38.3747 16.8319 -38.3747 15.0817 GPRESSAVG: 1343200 55.9542 -4.0459 18.0762 -6.76314 -35.4975 -38.6875 18.309 -38.5299 15.0242 TIMING: 1343200 CPU: 4041.94, 0.00301221/step Wall: 4041.94, 0.00301221/step, 3.05973 hours remaining, 209.812500 MB of memory in use. ENERGY: 1343200 748.0217 2058.3362 1962.3014 116.7101 -205888.0345 17687.3023 0.0000 0.0000 34577.6464 -148737.7165 301.9752 -183315.3629 -148644.8252 300.0779 9.5158 45.7207 557740.1111 11.9289 11.8270 PRESSURE: 1343400 -152.551 109.953 -33.9673 109.954 79.3607 -28.8866 -33.9684 -28.8852 -10.9026 GPRESSURE: 1343400 -88.1988 209.766 -25.7421 1.65625 84.9426 -18.2712 -88.8089 -35.3987 19.6534 PRESSAVG: 1343400 -34.0974 3.80636 10.834 3.80629 -89.5077 -100.552 10.834 -100.552 39.5476 GPRESSAVG: 1343400 -33.5388 4.51876 11.5956 3.65539 -89.3725 -100.493 9.31426 -99.9816 38.5205 TIMING: 1343400 CPU: 4042.54, 0.00300951/step Wall: 4042.54, 0.00300951/step, 3.05683 hours remaining, 209.812500 MB of memory in use. ENERGY: 1343400 767.7906 2136.5405 1958.8293 119.2210 -206234.5575 17821.1248 0.0000 0.0000 34420.4199 -149010.6313 300.6021 -183431.0513 -148914.7627 300.4314 -28.0309 5.4657 557891.9668 -28.0192 -28.1303 PRESSURE: 1343600 -56.4745 -257.312 -79.1334 -257.312 -100.945 -59.6026 -79.1324 -59.6035 323.097 GPRESSURE: 1343600 -83.2327 -152.984 -17.6783 -256.317 -10.9807 -36.2372 -15.0475 -74.2351 357.784 PRESSAVG: 1343600 -28.2984 29.9322 -39.2291 29.9321 -6.31756 -30.9512 -39.2293 -30.9513 42.8547 GPRESSAVG: 1343600 -29.8799 28.7348 -40.9096 29.6683 -6.5918 -31.0125 -39.7817 -32.7168 44.5649 TIMING: 1343600 CPU: 4043.14, 0.00300306/step Wall: 4043.14, 0.00300306/step, 3.05011 hours remaining, 210.015625 MB of memory in use. ENERGY: 1343600 754.6302 2056.3256 1931.9578 120.9900 -206207.4093 17946.3195 0.0000 0.0000 34222.7166 -149174.4697 298.8755 -183397.1862 -149075.9356 299.5448 55.2261 87.8569 557773.2452 2.7462 2.6978 PRESSURE: 1343800 81.7983 88.8982 -149.901 88.898 -87.468 -68.1259 -149.901 -68.125 -44.7869 GPRESSURE: 1343800 133.439 85.3858 -70.2324 85.2861 -75.5397 -61.9359 -166.74 -39.5478 -15.2238 PRESSAVG: 1343800 8.6084 6.96534 -15.3183 6.96522 1.30796 -8.53454 -15.3183 -8.53447 8.77825 GPRESSAVG: 1343800 8.69448 8.57897 -14.6155 7.80104 1.40797 -9.78579 -13.0201 -6.54119 8.47149 TIMING: 1343800 CPU: 4043.75, 0.00303607/step Wall: 4043.75, 0.00303607/step, 3.08346 hours remaining, 210.015625 MB of memory in use. ENERGY: 1343800 726.5066 2052.1355 1961.3561 106.8907 -206133.7772 17756.3813 0.0000 0.0000 34205.9808 -149324.5262 298.7293 -183530.5070 -149231.7183 298.9162 -16.8189 14.2252 558070.3132 6.2315 6.1913 PRESSURE: 1344000 138.606 25.3049 1.32672 25.3043 -35.2 -60.5277 1.32689 -60.5281 -56.7383 GPRESSURE: 1344000 142.177 21.008 -68.2066 4.68541 -6.41026 -137.333 35.8046 -148.436 -8.31324 PRESSAVG: 1344000 8.11293 20.9019 -14.1869 20.9019 27.4498 -55.2688 -14.1869 -55.2687 -35.547 GPRESSAVG: 1344000 8.5147 19.006 -11.0954 20.7194 26.5979 -56.8578 -15.7447 -55.1184 -35.8408 TIMING: 1344000 CPU: 4044.36, 0.00304101/step Wall: 4044.36, 0.00304101/step, 3.08832 hours remaining, 210.015625 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: 1344000 733.0965 2026.2184 1959.4463 101.5776 -206153.6035 17743.5530 0.0000 0.0000 34330.8274 -149258.8842 299.8197 -183589.7117 -149162.9690 298.7490 15.5559 42.4847 556968.7365 0.0053 -0.2427 PRESSURE: 1344200 179.743 -117.35 -206.078 -117.35 73.9792 -200.767 -206.078 -200.769 -101.291 GPRESSURE: 1344200 190.053 -92.5746 -170.455 -130.045 130.055 -143.326 -155.759 -307.527 -60.8611 PRESSAVG: 1344200 30.2282 0.938864 23.942 0.938881 -45.3228 -64.3405 23.942 -64.3405 2.72501 GPRESSAVG: 1344200 30.742 0.0690103 19.8397 0.517221 -45.1026 -63.2057 23.2393 -64.1494 1.64896 TIMING: 1344200 CPU: 4044.96, 0.00301312/step Wall: 4044.96, 0.00301312/step, 3.05982 hours remaining, 210.015625 MB of memory in use. ENERGY: 1344200 749.4211 2075.2249 1945.2487 104.2483 -205954.0349 17922.5287 0.0000 0.0000 34071.1988 -149086.1643 297.5523 -183157.3631 -148991.0864 299.3459 50.8104 86.4156 556798.3169 -4.1232 -4.2372 LDB: ============= START OF LOAD BALANCING ============== 4048.48 LDB: ============== END OF LOAD BALANCING =============== 4048.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4048.48 LDB: ============= START OF LOAD BALANCING ============== 4048.79 LDB: Largest compute 4800 load 0.029688 is 25.2% of average load 0.117833 LDB: Average compute 0.001741 is 1.5% of average load 0.117833 LDB: TIME 4048.79 LOAD: AVG 0.117833 MAX 0.21584 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.941 MB LDB: TIME 4048.79 LOAD: AVG 0.117833 MAX 0.21584 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.145 MB LDB: TIME 4048.79 LOAD: AVG 0.117833 MAX 0.21584 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.145 MB LDB: ============== END OF LOAD BALANCING =============== 4048.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4048.8 PRESSURE: 1344400 177.007 -44.4721 61.3888 -44.4725 -41.4767 -9.07172 61.3888 -9.07288 -141.541 GPRESSURE: 1344400 204.244 -67.2287 -64.7714 -94.5171 4.83001 -97.5801 76.6998 -28.36 -113.115 PRESSAVG: 1344400 40.7842 -44.9755 18.869 -44.9756 21.7649 -70.3887 18.869 -70.3888 -25.0155 GPRESSAVG: 1344400 41.3063 -44.8758 20.4321 -43.5231 20.5816 -68.0591 19.3132 -72.6954 -24.1913 TIMING: 1344400 CPU: 4045.58, 0.00309579/step Wall: 4045.58, 0.00309579/step, 3.14361 hours remaining, 209.746094 MB of memory in use. ENERGY: 1344400 735.1176 2100.9429 1929.3278 100.2367 -206064.0698 17707.5557 0.0000 0.0000 34204.5938 -149286.2953 298.7172 -183490.8891 -149194.0193 299.9959 -2.0036 31.9861 555238.0312 12.5112 12.5656 PRESSURE: 1344600 -7.8772 -108.755 -187.24 -108.756 21.7098 65.9949 -187.24 65.9949 -173.418 GPRESSURE: 1344600 37.0567 -79.9043 -237.03 -129.103 70.6702 90.5509 -136.37 58.9636 -165.067 PRESSAVG: 1344600 30.2922 36.3782 -29.0524 36.3784 -26.5848 -8.72078 -29.0524 -8.72083 7.94027 GPRESSAVG: 1344600 28.9078 37.4541 -30.2484 35.3179 -25.8115 -13.0234 -30.6383 -4.54262 9.14239 TIMING: 1344600 CPU: 4046.19, 0.00303039/step Wall: 4046.19, 0.00303039/step, 3.07703 hours remaining, 209.816406 MB of memory in use. ENERGY: 1344600 750.1583 2091.0589 1947.9747 100.4892 -206183.3776 17777.8719 0.0000 0.0000 34338.6901 -149177.1345 299.8883 -183515.8247 -149081.4909 299.1147 -53.1951 -19.1135 556272.0283 3.8826 4.0796 PRESSURE: 1344800 65.8022 -66.4132 -99.8481 -66.4142 -265.757 26.6445 -99.8474 26.6444 -290.206 GPRESSURE: 1344800 54.8149 -168.456 -66.0868 -6.87108 -248.372 -40.8395 -47.7988 46.4368 -204.739 PRESSAVG: 1344800 -48.4552 20.0542 35.9771 20.0543 56.6274 -45.5177 35.9772 -45.5177 -7.70981 GPRESSAVG: 1344800 -47.671 19.1639 35.7151 21.0817 56.0512 -44.3558 39.0263 -46.2497 -8.08255 TIMING: 1344800 CPU: 4046.8, 0.00304313/step Wall: 4046.8, 0.00304313/step, 3.08979 hours remaining, 209.816406 MB of memory in use. ENERGY: 1344800 771.0077 2055.3282 1912.9749 110.8985 -205852.6579 17579.2957 0.0000 0.0000 34281.4104 -149141.7425 299.3881 -183423.1529 -149045.4003 299.5826 -163.3867 -132.7655 557523.8439 0.1541 0.0992 PRESSURE: 1345000 -16.7338 22.2881 86.815 22.289 -60.0154 17.3067 86.8146 17.3049 63.4272 GPRESSURE: 1345000 37.7899 -45.0675 -23.1787 68.4761 -13.6641 -38.7307 43.5413 41.4556 64.9091 PRESSAVG: 1345000 59.0619 -1.53093 -14.1508 -1.53086 21.6315 -31.0604 -14.1509 -31.0603 -43.1772 GPRESSAVG: 1345000 59.5564 0.1614 -14.4271 -3.29934 22.1153 -29.0061 -15.6386 -31.5948 -43.928 TIMING: 1345000 CPU: 4047.4, 0.00303411/step Wall: 4047.4, 0.00303411/step, 3.08046 hours remaining, 209.816406 MB of memory in use. ENERGY: 1345000 765.9705 2076.7154 1943.4309 109.6060 -206305.7194 17847.2118 0.0000 0.0000 34453.2197 -149109.5651 300.8885 -183562.7848 -149011.9161 299.7578 -4.4407 29.6783 555561.4738 12.5054 12.5812 PRESSURE: 1345200 88.8759 44.665 -107.576 44.6636 207.719 -177.214 -107.575 -177.214 -171.162 GPRESSURE: 1345200 117.305 -0.612072 -100.092 75.8952 246.945 -170.92 -116.139 -276.916 -130.505 PRESSAVG: 1345200 47.3828 13.644 -38.1134 13.6441 4.01111 -78.5895 -38.1134 -78.5895 -49.0593 GPRESSAVG: 1345200 48.016 12.8628 -37.9901 14.8152 4.12311 -79.9949 -38.2689 -80.1779 -49.8985 TIMING: 1345200 CPU: 4048.01, 0.0030287/step Wall: 4048.01, 0.0030287/step, 3.07481 hours remaining, 209.816406 MB of memory in use. ENERGY: 1345200 754.8495 2042.1202 1962.3471 104.5220 -206131.2533 17795.0463 0.0000 0.0000 34352.8645 -149119.5038 300.0121 -183472.3683 -149025.8386 300.0364 41.8111 77.9148 557039.5855 0.7782 0.7469 PRESSURE: 1345400 32.293 -159.402 -6.56873 -159.403 157.913 -104.99 -6.56814 -104.99 -104.686 GPRESSURE: 1345400 108.043 -115.751 48.0981 -233.541 123.692 -50.7784 -53.8285 -162.966 -36.1526 PRESSAVG: 1345400 99.5229 -0.133555 -11.6746 -0.133526 -26.0226 -74.861 -11.6745 -74.861 -103.149 GPRESSAVG: 1345400 99.5834 1.06227 -11.7265 -1.56282 -26.1029 -72.9453 -11.8167 -72.8577 -103.067 TIMING: 1345400 CPU: 4048.61, 0.00302048/step Wall: 4048.61, 0.00302048/step, 3.06629 hours remaining, 209.816406 MB of memory in use. ENERGY: 1345400 711.9745 2058.7032 1923.0796 119.6766 -206493.3003 17922.3694 0.0000 0.0000 34478.4786 -149279.0184 301.1091 -183757.4970 -149174.8388 299.2387 28.5066 65.1942 557640.4714 -9.8829 -9.8621 PRESSURE: 1345600 -4.62327 -40.3247 -17.9926 -40.3255 167.554 -68.8547 -17.9935 -68.8532 71.1731 GPRESSURE: 1345600 -14.9183 -81.1208 71.9317 -145.589 203.585 -93.4694 -45.146 -58.3013 145.919 PRESSAVG: 1345600 63.0787 -27.8457 -39.8844 -27.8457 -36.8542 68.401 -39.8845 68.4011 -3.49801 GPRESSAVG: 1345600 62.2725 -30.3976 -39.2576 -25.9394 -37.7552 66.8023 -40.3344 67.9361 -2.14578 TIMING: 1345600 CPU: 4049.22, 0.00303521/step Wall: 4049.22, 0.00303521/step, 3.08108 hours remaining, 209.816406 MB of memory in use. ENERGY: 1345600 738.7764 2088.4304 1942.3803 116.3649 -206235.4357 17925.8539 0.0000 0.0000 34068.5758 -149355.0541 297.5293 -183423.6299 -149261.9077 299.6061 78.0347 111.5286 557348.9216 7.5755 7.4572 PRESSURE: 1345800 -120.128 108.383 -163.606 108.383 -46.7987 -42.0215 -163.606 -42.0216 -226.977 GPRESSURE: 1345800 -106.971 162.385 -130.348 93.6088 -38.252 -15.6641 -271.42 -118.715 -164.775 PRESSAVG: 1345800 -5.61104 1.61559 -33.3114 1.61556 25.6237 -1.37694 -33.3113 -1.37685 1.37054 GPRESSAVG: 1345800 -5.68223 3.21933 -31.7304 0.12525 26.1567 -1.06841 -35.1384 -3.03392 1.17085 TIMING: 1345800 CPU: 4049.83, 0.00305818/step Wall: 4049.83, 0.00305818/step, 3.10422 hours remaining, 209.816406 MB of memory in use. ENERGY: 1345800 738.7076 2172.8575 1921.4879 106.9444 -206180.9999 17631.3285 0.0000 0.0000 34255.7176 -149353.9563 299.1637 -183609.6739 -149259.0666 299.3471 -131.3014 -103.3326 556656.8169 7.1277 7.2151 PRESSURE: 1346000 -65.5887 28.7637 92.7567 28.7647 158.558 33.2381 92.7554 33.2373 -56.3905 GPRESSURE: 1346000 -1.95387 84.5069 65.4634 -12.8611 164.459 50.6618 86.8608 137.901 -15.2211 PRESSAVG: 1346000 -4.22677 40.5003 90.1808 40.5003 55.0543 33.4529 90.1808 33.4529 -70.4228 GPRESSAVG: 1346000 -3.55815 39.8584 88.7235 39.4844 54.5069 32.7981 93.9158 33.3524 -70.2403 TIMING: 1346000 CPU: 4050.44, 0.00304227/step Wall: 4050.44, 0.00304227/step, 3.0879 hours remaining, 209.816406 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: 1346000 743.8181 2065.9991 1896.7877 98.4123 -205996.7405 17713.9673 0.0000 0.0000 34317.0197 -149160.7364 299.6991 -183477.7561 -149064.0789 299.1846 12.1931 49.0945 556584.9338 -6.5318 -6.4305 PRESSURE: 1346200 -314.347 -115.734 -68.5726 -115.732 134.776 5.26702 -68.5722 5.26646 103.059 GPRESSURE: 1346200 -260.911 -144.398 -49.7013 -134.134 106.61 14.3068 -58.0017 -56.3084 177.283 PRESSAVG: 1346200 9.53405 -21.2659 4.07317 -21.266 4.90643 42.385 4.07316 42.3851 -10.4126 GPRESSAVG: 1346200 10.2158 -19.4963 3.43102 -18.7475 5.60684 44.5117 3.15168 44.7141 -11.1765 TIMING: 1346200 CPU: 4051.05, 0.0030594/step Wall: 4051.05, 0.0030594/step, 3.10512 hours remaining, 209.816406 MB of memory in use. ENERGY: 1346200 730.6810 2066.2432 1953.5614 99.5174 -206219.8572 17751.0284 0.0000 0.0000 34217.4802 -149401.3456 298.8298 -183618.8259 -149305.8603 299.5462 -25.5040 7.6605 556632.8980 1.3426 1.5487 PRESSURE: 1346400 -130.338 -74.8695 -14.5214 -74.8698 91.3728 65.1047 -14.5225 65.1046 238.611 GPRESSURE: 1346400 -167.068 -93.3385 -52.7991 -20.6268 199.397 65.4778 139.883 20.8561 265.672 PRESSAVG: 1346400 -77.3428 -23.2435 10.423 -23.2435 56.1856 -12.0713 10.423 -12.0713 27.5575 GPRESSAVG: 1346400 -79.3645 -24.0333 10.9525 -24.0626 55.9179 -11.8248 9.81619 -12.9942 29.0318 TIMING: 1346400 CPU: 4051.67, 0.00306717/step Wall: 4051.67, 0.00306717/step, 3.11284 hours remaining, 209.816406 MB of memory in use. ENERGY: 1346400 753.3385 2096.4811 1938.0164 118.3342 -206235.2600 17876.3524 0.0000 0.0000 34240.9520 -149211.7854 299.0348 -183452.7375 -149121.3787 298.9760 66.5486 99.3336 557143.3249 2.1334 1.8617 PRESSURE: 1346600 130.983 -173.656 223.983 -173.657 -145.754 -45.4685 223.983 -45.4678 -27.3262 GPRESSURE: 1346600 155.72 -185.031 188.098 -161.97 -82.0075 -56.3143 240.847 22.1271 -13.5207 PRESSAVG: 1346600 -3.16404 -18.9142 -0.733755 -18.9142 -14.5729 -7.25246 -0.733738 -7.25246 43.2505 GPRESSAVG: 1346600 -1.48473 -21.6556 -0.432576 -16.4616 -14.456 -9.17967 0.486165 -5.7488 41.8344 TIMING: 1346600 CPU: 4052.27, 0.003018/step Wall: 4052.27, 0.003018/step, 3.06276 hours remaining, 209.941406 MB of memory in use. ENERGY: 1346600 717.7968 2116.3367 1962.8740 104.7219 -206136.7337 17764.3471 0.0000 0.0000 34271.0694 -149199.5876 299.2978 -183470.6570 -149111.3008 299.4538 -14.0322 20.0639 558194.7323 8.5045 8.6312 PRESSURE: 1346800 -257.551 -16.4047 66.8374 -16.4049 -105.274 86.6705 66.8372 86.6714 59.8821 GPRESSURE: 1346800 -159.628 1.45772 83.9391 -51.9552 -143.814 116.817 108.376 92.3031 108.927 PRESSAVG: 1346800 52.4393 -25.4459 3.01682 -25.4459 37.547 -23.61 3.01672 -23.61 -44.4305 GPRESSAVG: 1346800 53.1354 -23.1633 1.85006 -27.7135 35.8513 -22.4632 4.26094 -24.0631 -43.3087 TIMING: 1346800 CPU: 4052.88, 0.00304337/step Wall: 4052.88, 0.00304337/step, 3.08835 hours remaining, 209.941406 MB of memory in use. ENERGY: 1346800 720.6772 2077.8968 1914.1344 109.2014 -206295.0177 17766.2893 0.0000 0.0000 34300.5508 -149406.2679 299.5552 -183706.8187 -149309.2921 299.2021 -100.9810 -64.8385 558009.8910 15.1853 15.2260 PRESSURE: 1347000 -115.357 60.6486 66.1811 60.6498 21.3439 39.5925 66.1816 39.5924 64.2124 GPRESSURE: 1347000 -61.9377 129.301 67.9898 -47.1634 -11.9814 78.3157 5.885 25.1581 141.261 PRESSAVG: 1347000 13.2924 -7.10409 95.1588 -7.10408 -33.1974 -23.8427 95.1587 -23.8426 41.5576 GPRESSAVG: 1347000 11.9989 -5.54337 97.0461 -8.37925 -32.5093 -24.3791 90.946 -24.1312 41.6704 TIMING: 1347000 CPU: 4053.49, 0.0030481/step Wall: 4053.49, 0.0030481/step, 3.09297 hours remaining, 209.941406 MB of memory in use. ENERGY: 1347000 729.1323 2082.7708 1947.5018 112.1483 -206269.0067 17757.4019 0.0000 0.0000 34261.4686 -149378.5831 299.2139 -183640.0516 -149272.2739 298.8614 -9.9336 22.4473 557687.3113 7.2175 7.0534 PRESSURE: 1347200 1.83632 -26.8876 57.8927 -26.8874 63.5911 169.666 57.8941 169.665 182.829 GPRESSURE: 1347200 57.3921 9.63225 81.6592 -19.8628 85.0714 110.303 82.647 192.545 203.3 PRESSAVG: 1347200 6.13395 13.4936 34.8532 13.4936 7.7143 -21.3683 34.8531 -21.3683 -36.0783 GPRESSAVG: 1347200 7.16231 11.1494 34.2485 16.8728 7.55418 -21.9785 37.3584 -20.9606 -37.1092 TIMING: 1347200 CPU: 4054.09, 0.00302802/step Wall: 4054.09, 0.00302802/step, 3.07243 hours remaining, 209.941406 MB of memory in use. ENERGY: 1347200 723.1134 2081.6030 1914.1319 125.0057 -206040.9560 17766.7697 0.0000 0.0000 34114.4384 -149315.8939 297.9299 -183430.3323 -149222.7391 298.7711 82.7520 115.2544 556882.7127 -7.4100 -7.4642 PRESSURE: 1347400 70.5344 -101.756 70.0992 -101.755 119.539 -24.5649 70.1006 -24.5653 18.7862 GPRESSURE: 1347400 33.559 -24.4382 174.763 -134.171 151.548 -126.356 68.8417 59.7066 120.394 PRESSAVG: 1347400 -39.6624 -0.917486 8.93117 -0.917465 30.2226 -16.3097 8.93117 -16.3096 18.7383 GPRESSAVG: 1347400 -40.5995 1.93345 9.27745 -2.78 30.6969 -13.9949 8.46081 -17.2309 19.6098 TIMING: 1347400 CPU: 4054.69, 0.00299714/step Wall: 4054.69, 0.00299714/step, 3.04093 hours remaining, 209.941406 MB of memory in use. ENERGY: 1347400 699.1115 2096.8741 1943.2557 109.2593 -206004.5190 17683.3180 0.0000 0.0000 34265.3465 -149207.3540 299.2478 -183472.7004 -149103.0355 298.9450 69.6200 101.8338 556224.6958 3.0995 3.2357 PRESSURE: 1347600 -5.39119 19.56 110.338 19.5592 203.018 26.6588 110.337 26.6592 -274.103 GPRESSURE: 1347600 72.1346 10.774 -53.5184 16.6683 190.978 153.632 83.702 -103.589 -255.279 PRESSAVG: 1347600 -20.4651 38.9052 45.6518 38.9052 14.9104 -10.861 45.6519 -10.8611 19.0356 GPRESSAVG: 1347600 -20.0355 39.4196 46.252 37.7778 14.9736 -12.328 44.8923 -11.7352 18.0483 TIMING: 1347600 CPU: 4055.29, 0.00299312/step Wall: 4055.29, 0.00299312/step, 3.03669 hours remaining, 209.941406 MB of memory in use. ENERGY: 1347600 711.3321 2071.7854 1948.8465 121.8286 -206141.5105 17758.7782 0.0000 0.0000 34325.7387 -149203.2010 299.7752 -183528.9397 -149112.0805 298.6021 -25.4920 2.6111 555687.4910 4.4936 4.3288 PRESSURE: 1347800 143.618 103.055 -205.314 103.055 -48.4264 57.9069 -205.314 57.9061 151.855 GPRESSURE: 1347800 202.684 90.1173 -184.881 24.721 12.8758 105.218 -216.779 60.3449 124.982 PRESSAVG: 1347800 57.5618 37.3321 8.51002 37.3321 -27.0158 28.6646 8.51011 28.6646 -4.86117 GPRESSAVG: 1347800 58.504 36.0601 7.67454 38.1207 -28.2077 28.0989 7.72878 31.3417 -4.78927 TIMING: 1347800 CPU: 4055.89, 0.00301783/step Wall: 4055.89, 0.00301783/step, 3.06159 hours remaining, 209.941406 MB of memory in use. ENERGY: 1347800 793.4393 2054.4966 1959.3268 105.1364 -206647.8719 18105.5190 0.0000 0.0000 34205.4605 -149424.4933 298.7248 -183629.9538 -149328.0216 299.4710 82.3488 113.5139 556505.5944 8.5616 8.5023 PRESSURE: 1348000 -35.5595 21.6175 -251.085 21.6168 -127.494 141.508 -251.086 141.508 -314.805 GPRESSURE: 1348000 -7.40595 -16.408 -178.327 33.875 -94.4344 126.763 -236.78 194.289 -278.364 PRESSAVG: 1348000 -26.9454 -35.9738 -23.0445 -35.9738 59.6129 34.5898 -23.0444 34.5898 5.45982 GPRESSAVG: 1348000 -27.973 -35.1959 -22.7691 -36.1935 59.7599 35.3801 -19.9843 32.2744 6.67656 TIMING: 1348000 CPU: 4056.5, 0.00303277/step Wall: 4056.5, 0.00303277/step, 3.07658 hours remaining, 209.941406 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: 1348000 737.8580 2034.8641 1947.1935 112.2816 -206236.6623 17686.5027 0.0000 0.0000 34307.2035 -149410.7588 299.6133 -183717.9623 -149319.6158 299.0975 -159.2863 -126.7347 556859.2927 12.7091 12.8212 PRESSURE: 1348200 230.625 155.815 5.14362 155.816 134.578 139.683 5.14222 139.684 258.997 GPRESSURE: 1348200 237.056 175.316 -39.6165 71.0272 166.517 146.913 -27.7317 115.436 315.414 PRESSAVG: 1348200 -12.486 41.7489 -18.2018 41.749 62.4763 49.7056 -18.2017 49.7056 -2.1793 GPRESSAVG: 1348200 -12.5824 40.7786 -18.0859 43.2682 62.9949 51.5548 -19.5078 49.2648 -2.93692 TIMING: 1348200 CPU: 4057.11, 0.00304126/step Wall: 4057.11, 0.00304126/step, 3.08502 hours remaining, 209.941406 MB of memory in use. ENERGY: 1348200 705.8855 2052.7982 1930.7958 110.9212 -206007.5254 17890.0133 0.0000 0.0000 34252.4449 -149064.6665 299.1351 -183317.1115 -148972.3877 299.6623 208.0666 239.6622 556902.3534 15.9370 15.8252 LDB: ============= START OF LOAD BALANCING ============== 4060.63 LDB: ============== END OF LOAD BALANCING =============== 4060.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4060.63 LDB: ============= START OF LOAD BALANCING ============== 4060.94 LDB: Largest compute 4800 load 0.029896 is 25.4% of average load 0.117834 LDB: Average compute 0.001737 is 1.5% of average load 0.117834 LDB: TIME 4060.94 LOAD: AVG 0.117834 MAX 0.219637 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.363 MB LDB: TIME 4060.94 LOAD: AVG 0.117834 MAX 0.219637 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.363 MB LDB: TIME 4060.94 LOAD: AVG 0.117834 MAX 0.219637 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.363 MB LDB: ============== END OF LOAD BALANCING =============== 4060.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4060.95 PRESSURE: 1348400 204.68 -86.3724 -19.4452 -86.372 40.1393 -36.0794 -19.4453 -36.0798 63.4175 GPRESSURE: 1348400 248.901 -26.6184 -62.7192 -50.2096 59.5089 -22.9512 -40.8757 -91.2979 98.6333 PRESSAVG: 1348400 15.7967 64.793 -25.5825 64.793 12.223 68.7859 -25.5824 68.7861 -53.407 GPRESSAVG: 1348400 16.4173 62.9071 -24.668 64.8738 12.5998 66.8276 -25.7209 69.5031 -54.6511 TIMING: 1348400 CPU: 4057.73, 0.00309671/step Wall: 4057.73, 0.00309671/step, 3.1411 hours remaining, 208.070312 MB of memory in use. ENERGY: 1348400 730.2818 2083.9324 1926.4732 128.4052 -206286.1410 17985.6510 0.0000 0.0000 34386.0668 -149045.3305 300.3021 -183431.3974 -148949.9078 299.4823 102.7456 135.6810 556398.6314 -8.4624 -8.5447 PRESSURE: 1348600 96.6895 -165.359 -19.4893 -165.358 241.161 -24.8392 -19.4886 -24.8405 105.767 GPRESSURE: 1348600 171.402 -202.53 -19.4184 -175.721 187.452 -170.508 -25.4685 86.631 175.596 PRESSAVG: 1348600 14.9613 -23.3491 15.8731 -23.3491 -10.1664 14.1331 15.8731 14.1331 -41.4809 GPRESSAVG: 1348600 13.5264 -22.4831 14.4208 -22.7505 -10.7854 16.4887 16.3529 14.5033 -40.1838 TIMING: 1348600 CPU: 4058.34, 0.00306173/step Wall: 4058.34, 0.00306173/step, 3.10545 hours remaining, 208.070312 MB of memory in use. ENERGY: 1348600 757.2353 2039.3804 1917.4274 114.0333 -206154.3980 17940.3600 0.0000 0.0000 34407.9201 -148978.0416 300.4929 -183385.9617 -148878.1119 300.2396 147.8727 178.1499 556497.8926 -12.2287 -12.4809 PRESSURE: 1348800 2.67458 -91.0876 15.9201 -91.0877 -219.557 1.71968 15.9209 1.71873 -188.639 GPRESSURE: 1348800 26.4833 -30.367 -24.5628 -71.3376 -219.182 17.0832 19.5137 -7.0135 -118.987 PRESSAVG: 1348800 14.1542 -67.9936 -34.5737 -67.9935 -56.7082 -9.64265 -34.5736 -9.64255 42.4486 GPRESSAVG: 1348800 16.4067 -66.1499 -32.9514 -69.5231 -58.3389 -11.6576 -36.5122 -10.3021 42.1742 TIMING: 1348800 CPU: 4058.95, 0.00305637/step Wall: 4058.95, 0.00305637/step, 3.09984 hours remaining, 208.070312 MB of memory in use. ENERGY: 1348800 753.2135 2130.9444 1936.5715 108.5109 -205693.6532 17560.8790 0.0000 0.0000 34263.1516 -148940.3823 299.2286 -183203.5340 -148837.9658 300.8733 -135.1739 -103.8952 558468.0283 -0.0351 0.0807 PRESSURE: 1349000 -249.028 -49.7095 111.885 -49.7099 -21.1839 129.518 111.886 129.518 -71.6463 GPRESSURE: 1349000 -249.657 -58.3033 155.322 -9.33288 13.4828 119.914 67.4812 186.523 -11.6398 PRESSAVG: 1349000 38.1638 -34.9299 -13.0375 -34.9299 -39.1858 13.5941 -13.0375 13.5941 -23.1089 GPRESSAVG: 1349000 37.4771 -37.0583 -14.7254 -33.3425 -38.1663 13.117 -12.775 15.1868 -23.1894 TIMING: 1349000 CPU: 4059.56, 0.00305308/step Wall: 4059.56, 0.00305308/step, 3.09633 hours remaining, 208.140625 MB of memory in use. ENERGY: 1349000 787.0251 2043.0479 1948.0696 111.3119 -205917.8140 17676.1326 0.0000 0.0000 34421.9645 -148930.2623 300.6156 -183352.2269 -148833.7733 300.0869 -113.9528 -82.6045 558264.6160 -8.0437 -7.9595 PRESSURE: 1349200 -164.22 -35.4734 -48.8474 -35.4737 22.5652 37.8573 -48.8488 37.8576 -2.65141 GPRESSURE: 1349200 -114.864 -44.5016 64.0573 21.6012 44.0724 22.163 -125.008 -7.84478 21.8546 PRESSAVG: 1349200 21.507 9.64482 16.4002 9.64486 -15.7788 -37.7617 16.4003 -37.7618 -27.7018 GPRESSAVG: 1349200 21.7106 11.4861 16.5798 8.93974 -16.0671 -36.8957 16.039 -38.9291 -27.5229 TIMING: 1349200 CPU: 4060.17, 0.00304176/step Wall: 4060.17, 0.00304176/step, 3.08468 hours remaining, 208.140625 MB of memory in use. ENERGY: 1349200 729.5395 2108.4002 1924.9467 98.4862 -206191.4423 17713.6307 0.0000 0.0000 34426.5703 -149189.8686 300.6558 -183616.4389 -149085.2859 299.6618 -48.1020 -16.3123 558374.6440 -7.3245 -7.2931 PRESSURE: 1349400 123.628 -85.8822 0.826146 -85.8831 -4.83731 115.251 0.826263 115.252 -165.282 GPRESSURE: 1349400 149.236 -79.6577 -30.1914 -61.071 8.05118 79.7045 -0.98212 166.053 -115.167 PRESSAVG: 1349400 28.9 35.0495 22.7147 35.0494 8.3175 -3.64122 22.7146 -3.64123 -1.47344 GPRESSAVG: 1349400 28.2166 33.8827 22.9695 35.3941 8.20947 -2.95231 22.786 -3.85274 -0.156592 TIMING: 1349400 CPU: 4060.77, 0.00301703/step Wall: 4060.77, 0.00301703/step, 3.05943 hours remaining, 208.140625 MB of memory in use. ENERGY: 1349400 738.0719 2146.3122 1928.5449 108.4198 -206093.2978 17703.4348 0.0000 0.0000 34394.2297 -149074.2845 300.3734 -183468.5142 -148978.4075 300.0026 -15.4970 14.0400 557623.2051 11.9147 12.0898 PRESSURE: 1349600 -80.0004 192.145 -8.64661 192.145 -99.235 -247.114 -8.64651 -247.113 -151.06 GPRESSURE: 1349600 -37.9397 145.303 -0.153001 203.822 -118.045 -112.843 -27.8126 -287.529 -86.2608 PRESSAVG: 1349600 5.27794 50.2765 -19.18 50.2765 -6.03449 38.9839 -19.18 38.9839 -36.051 GPRESSAVG: 1349600 4.83707 51.2802 -18.335 49.4303 -4.79162 37.3585 -17.9937 38.0861 -36.9328 TIMING: 1349600 CPU: 4061.38, 0.00303478/step Wall: 4061.38, 0.00303478/step, 3.07727 hours remaining, 208.140625 MB of memory in use. ENERGY: 1349600 775.6674 2126.0003 1942.2738 110.4577 -205963.9577 17668.1240 0.0000 0.0000 34328.0599 -149013.3746 299.7955 -183341.4345 -148920.8086 299.8577 -110.0984 -80.7486 557307.9331 -12.2692 -12.2958 PRESSURE: 1349800 79.8784 -257.469 99.1059 -257.47 224.356 -51.2151 99.1056 -51.2155 48.6204 GPRESSURE: 1349800 107.403 -267.437 95.6946 -195.996 276.496 -63.8986 89.3384 44.3353 73.9822 PRESSAVG: 1349800 -41.4124 -26.9212 -35.3578 -26.921 55.2127 -32.2404 -35.3578 -32.2404 21.4651 GPRESSAVG: 1349800 -41.7588 -26.976 -36.5149 -26.8244 55.5441 -33.0427 -35.5741 -29.2821 21.6075 TIMING: 1349800 CPU: 4061.99, 0.00304327/step Wall: 4061.99, 0.00304327/step, 3.08571 hours remaining, 208.140625 MB of memory in use. ENERGY: 1349800 749.6164 2096.0074 1926.1082 114.6950 -206371.1640 18003.7060 0.0000 0.0000 34329.6860 -149151.3451 299.8097 -183481.0311 -149046.3898 299.8854 117.6184 152.6270 557535.6668 11.7551 11.7976 PRESSURE: 1350000 -423.592 -8.15204 -9.60557 -8.15229 224.698 117.185 -9.60739 117.185 86.2498 GPRESSURE: 1350000 -331.19 -50.7509 -30.5723 63.6969 192.132 78.75 -32.0192 51.8514 134.77 PRESSAVG: 1350000 -31.6739 35.3688 6.30544 35.3689 32.7015 11.1232 6.30531 11.1233 -33.9912 GPRESSAVG: 1350000 -32.5732 33.0654 7.42725 36.3061 32.6281 10.7558 5.52898 8.44872 -33.5019 TIMING: 1350000 CPU: 4062.6, 0.00303415/step Wall: 4062.6, 0.00303415/step, 3.07629 hours remaining, 208.210938 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: 1350000 787.1659 2088.7553 1929.4606 118.1307 -206012.2851 17905.0455 0.0000 0.0000 34125.6856 -149058.0415 298.0281 -183183.7271 -148970.3046 300.2186 -37.5482 -1.4294 558482.0593 -10.9878 -11.1490 PRESSURE: 1350200 -346.56 -75.3346 -168.247 -75.3335 25.3765 -116.928 -168.248 -116.928 -123.203 GPRESSURE: 1350200 -291.49 -47.9136 -149.084 -95.6834 34.5922 -113.072 -187.083 -67.2931 -96.92 PRESSAVG: 1350200 18.9194 -22.7137 -97.6714 -22.7137 -37.0104 6.60488 -97.6714 6.60493 26.5814 GPRESSAVG: 1350200 20.1805 -18.6293 -100.907 -24.8737 -37.9757 10.507 -97.1458 7.21269 26.1589 TIMING: 1350200 CPU: 4063.21, 0.0030545/step Wall: 4063.21, 0.0030545/step, 3.09676 hours remaining, 208.210938 MB of memory in use. ENERGY: 1350200 771.8450 2158.6883 1952.2954 114.4813 -205754.8001 17504.8623 0.0000 0.0000 34194.5544 -149058.0734 298.6295 -183252.6277 -148964.0023 299.9564 -148.1289 -117.9392 558371.7237 2.8301 2.7879 PRESSURE: 1350400 174.819 -10.8139 -12.3898 -10.8132 57.6908 -50.7248 -12.3892 -50.7258 -6.11777 GPRESSURE: 1350400 170.526 -33.1123 -50.7012 52.5332 87.5524 -65.4305 -43.7624 2.589 66.757 PRESSAVG: 1350400 -28.5235 -8.25444 -51.9911 -8.25448 -27.9479 5.9346 -51.991 5.93459 41.5193 GPRESSAVG: 1350400 -28.9185 -12.3356 -50.0517 -6.69985 -27.5796 3.73428 -51.1108 6.23694 41.64 TIMING: 1350400 CPU: 4063.82, 0.00304677/step Wall: 4063.82, 0.00304677/step, 3.08875 hours remaining, 208.210938 MB of memory in use. ENERGY: 1350400 727.9635 2057.0022 1955.5270 108.1198 -205999.9940 17782.0381 0.0000 0.0000 34450.0679 -148919.2755 300.8610 -183369.3434 -148815.1052 299.9860 75.4642 108.2785 557828.4375 -4.9840 -4.9527 PRESSURE: 1350600 27.7328 -28.4707 -51.7224 -28.4715 221.979 -33.9809 -51.7221 -33.9801 -80.1795 GPRESSURE: 1350600 -3.8339 -29.9867 -75.38 31.1301 257.146 -96.9078 -9.55262 -53.6198 4.31994 PRESSAVG: 1350600 -82.4586 10.5994 -40.1637 10.5993 -2.44218 -10.5084 -40.1637 -10.5084 77.6251 GPRESSAVG: 1350600 -82.7756 11.4506 -40.5524 9.82955 -3.65613 -10.4803 -40.0703 -11.4501 78.6663 TIMING: 1350600 CPU: 4064.43, 0.00304038/step Wall: 4064.43, 0.00304038/step, 3.0821 hours remaining, 208.210938 MB of memory in use. ENERGY: 1350600 773.3152 2102.9657 1943.3035 118.8220 -205948.6968 17782.9119 0.0000 0.0000 34319.4605 -148907.9180 299.7204 -183227.3785 -148808.9121 301.1838 56.5107 85.8773 557414.2900 -2.4252 -2.5885 PRESSURE: 1350800 317.207 -204.333 105.306 -204.332 18.4896 11.7084 105.306 11.7072 230.136 GPRESSURE: 1350800 416.845 -151.577 99.8898 -138.146 25.6071 7.86059 142.361 30.6745 227.106 PRESSAVG: 1350800 59.1292 -18.8909 7.93365 -18.8908 -101.71 -3.83378 7.93362 -3.83368 38.0149 GPRESSAVG: 1350800 59.3015 -20.3502 7.08262 -17.6944 -100.689 -5.59153 7.78402 -4.09482 37.233 TIMING: 1350800 CPU: 4065.03, 0.00300938/step Wall: 4065.03, 0.00300938/step, 3.05051 hours remaining, 208.210938 MB of memory in use. ENERGY: 1350800 762.0640 2171.2742 1929.4224 103.3606 -206083.6790 17921.4518 0.0000 0.0000 34326.3723 -148869.7338 299.7807 -183196.1061 -148763.6335 300.3634 188.6109 223.1859 557092.8673 -1.5219 -1.3849 PRESSURE: 1351000 -376.25 -57.2941 -64.2793 -57.2941 -300.289 -39.6861 -64.2803 -39.6856 179.751 GPRESSURE: 1351000 -294.053 -146.745 -36.3178 -28.7106 -265.593 97.113 -136.598 -103.48 155.451 PRESSAVG: 1351000 31.005 -42.8654 33.1918 -42.8653 -27.4346 -13.0763 33.1918 -13.0762 -0.799852 GPRESSAVG: 1351000 30.8634 -41.4798 33.0601 -44.8389 -27.0234 -11.3631 31.5227 -11.825 -0.636866 TIMING: 1351000 CPU: 4065.63, 0.00302007/step Wall: 4065.63, 0.00302007/step, 3.06118 hours remaining, 208.210938 MB of memory in use. ENERGY: 1351000 751.9916 2074.9127 1929.9829 107.9983 -205611.5394 17471.2429 0.0000 0.0000 34298.5559 -148976.8551 299.5378 -183275.4110 -148878.5415 299.2699 -165.5960 -134.7318 558133.2519 0.9235 1.0677 PRESSURE: 1351200 88.3505 -19.8186 25.1937 -19.819 138.421 100.914 25.1937 100.914 -59.6559 GPRESSURE: 1351200 82.7983 17.7899 49.8388 -10.5168 209.873 -32.5449 92.8685 25.6541 -22.0746 PRESSAVG: 1351200 -32.3223 -64.8692 -3.90937 -64.8692 3.44348 -2.17285 -3.90925 -2.17284 57.5637 GPRESSAVG: 1351200 -31.6389 -61.8721 -1.69262 -64.9591 3.56099 -4.26487 -3.43896 -0.822435 56.7759 TIMING: 1351200 CPU: 4066.23, 0.00300924/step Wall: 4066.23, 0.00300924/step, 3.05004 hours remaining, 208.210938 MB of memory in use. ENERGY: 1351200 754.9247 2096.1961 1935.7882 95.4804 -206092.9499 17866.8952 0.0000 0.0000 34348.2664 -148995.3989 299.9720 -183343.6653 -148895.8525 300.1554 55.7054 90.1989 558455.8143 9.5616 9.5660 PRESSURE: 1351400 -97.9371 132.879 -44.199 132.878 -226.763 122.244 -44.1992 122.244 -283.211 GPRESSURE: 1351400 -108.348 120.194 -69.4955 43.8671 -199.88 158.109 -1.54203 27.4862 -207.479 PRESSAVG: 1351400 -83.3609 -69.2339 -15.2431 -69.234 -32.872 7.99795 -15.2432 7.99797 67.5544 GPRESSAVG: 1351400 -83.0476 -70.8045 -14.9884 -69.5296 -33.6669 8.84195 -16.7874 8.50807 67.8884 TIMING: 1351400 CPU: 4066.84, 0.00302423/step Wall: 4066.84, 0.00302423/step, 3.06506 hours remaining, 208.210938 MB of memory in use. ENERGY: 1351400 776.4899 2141.0454 1922.0412 96.4195 -206162.7593 17913.3665 0.0000 0.0000 34335.3950 -148978.0018 299.8595 -183313.3969 -148882.0173 299.9580 -202.6370 -171.9023 560248.3701 -16.2261 -16.2754 PRESSURE: 1351600 -58.8559 -78.8785 -185.409 -78.8785 -83.7964 17.6554 -185.409 17.6559 -267.598 GPRESSURE: 1351600 -86.1363 -98.9666 -59.8085 -64.3034 -50.2323 21.5602 -225.426 -34.3177 -175.599 PRESSAVG: 1351600 -18.9589 -11.6536 -26.991 -11.6536 32.8024 -22.815 -26.991 -22.815 -9.38869 GPRESSAVG: 1351600 -19.1731 -11.7865 -26.4242 -11.5916 31.4932 -20.4123 -26.5184 -25.8917 -7.55922 TIMING: 1351600 CPU: 4067.45, 0.00304195/step Wall: 4067.45, 0.00304195/step, 3.08285 hours remaining, 208.210938 MB of memory in use. ENERGY: 1351600 758.9007 2126.4339 1932.3680 113.7782 -206451.8966 17831.9366 0.0000 0.0000 34545.9239 -149142.5554 301.6981 -183688.4793 -149048.8990 299.8645 -136.7501 -103.9892 557560.2563 1.4849 1.5870 PRESSURE: 1351800 190.287 -42.9264 -15.7822 -42.9263 111.916 -68.7432 -15.781 -68.7448 -238.164 GPRESSURE: 1351800 207.053 -39.1392 -62.9124 -103.446 171.752 -51.9449 70.221 -49.0835 -215.867 PRESSAVG: 1351800 13.9585 -30.8241 -33.8311 -30.8241 -18.9006 13.5073 -33.8312 13.5072 -2.34585 GPRESSAVG: 1351800 13.985 -31.0344 -34.998 -29.8328 -16.6972 11.26 -33.9877 14.9718 -4.27902 TIMING: 1351800 CPU: 4068.05, 0.00303685/step Wall: 4068.05, 0.00303685/step, 3.07751 hours remaining, 208.210938 MB of memory in use. ENERGY: 1351800 748.4883 2058.7575 1909.5892 114.7181 -206116.6607 18008.3030 0.0000 0.0000 34260.4487 -149016.3559 299.2050 -183276.8046 -148927.5140 299.9633 21.3461 54.3128 559628.0536 -2.4293 -2.3304 PRESSURE: 1352000 -262.689 -170.559 -92.2692 -170.559 192.236 -46.5736 -92.2688 -46.5737 63.1693 GPRESSURE: 1352000 -174.894 -178.075 -140.088 -136.288 193.36 -55.9669 -51.4119 10.3503 67.9633 PRESSAVG: 1352000 -6.30984 -12.6853 -33.5445 -12.6852 -5.40546 -9.84617 -33.5446 -9.8462 11.0066 GPRESSAVG: 1352000 -6.12686 -14.0008 -33.5162 -12.2795 -6.47879 -8.12819 -31.9316 -10.2238 12.3801 TIMING: 1352000 CPU: 4068.66, 0.00303667/step Wall: 4068.66, 0.00303667/step, 3.07716 hours remaining, 208.210938 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: 1352000 735.3165 2138.0444 1930.3635 99.7120 -206085.0293 17757.5750 0.0000 0.0000 34139.9268 -149284.0911 298.1525 -183424.0180 -149190.3055 299.1502 -2.4276 28.8097 559659.6727 -0.2362 -0.0752 PRESSURE: 1352200 -21.3474 -19.16 88.6963 -19.1593 -108.874 121.973 88.6957 121.974 14.8296 GPRESSURE: 1352200 -6.0348 -63.052 9.43482 23.8136 -57.8571 138.616 176.437 50.8617 50.4431 PRESSAVG: 1352200 -18.4904 -47.1974 35.9583 -47.1975 56.31 35.9353 35.9583 35.9353 13.406 GPRESSAVG: 1352200 -18.4965 -46.6738 39.085 -48.2881 58.2768 35.9286 34.7834 37.4825 11.2014 TIMING: 1352200 CPU: 4069.27, 0.00305422/step Wall: 4069.27, 0.00305422/step, 3.09477 hours remaining, 208.210938 MB of memory in use. ENERGY: 1352200 754.8327 2000.8125 1921.8940 102.3217 -206171.1396 17735.0953 0.0000 0.0000 34179.2134 -149476.9701 298.4956 -183656.1835 -149384.4865 298.7766 -38.4639 -4.4829 558515.3066 17.0752 16.9939 LDB: ============= START OF LOAD BALANCING ============== 4072.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4072.8 LDB: =============== DONE WITH MIGRATION ================ 4072.8 LDB: ============= START OF LOAD BALANCING ============== 4073.11 LDB: Largest compute 4800 load 0.032327 is 27.4% of average load 0.117810 LDB: Average compute 0.001738 is 1.5% of average load 0.117810 LDB: TIME 4073.11 LOAD: AVG 0.11781 MAX 0.218552 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.043 MB LDB: TIME 4073.11 LOAD: AVG 0.11781 MAX 0.218552 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: TIME 4073.11 LOAD: AVG 0.11781 MAX 0.218552 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: ============== END OF LOAD BALANCING =============== 4073.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4073.12 PRESSURE: 1352400 -125.776 16.0383 -62.4015 16.0375 -89.1838 58.1478 -62.4008 58.1493 0.434759 GPRESSURE: 1352400 -111.652 20.6693 -135.935 -5.29978 -34.4904 -65.2234 -23.8263 134.207 29.0052 PRESSAVG: 1352400 -8.89218 -36.8385 -5.32192 -36.8385 8.09039 46.1371 -5.32202 46.1371 11.2532 GPRESSAVG: 1352400 -8.43298 -34.8197 -8.17357 -36.5119 6.39725 45.6068 -2.23344 45.4207 12.6577 TIMING: 1352400 CPU: 4069.9, 0.00313261/step Wall: 4069.9, 0.00313261/step, 3.17403 hours remaining, 208.273438 MB of memory in use. ENERGY: 1352400 764.9191 2058.0934 1943.4103 117.0913 -206532.7104 17897.4644 0.0000 0.0000 34323.3931 -149428.3388 299.7547 -183751.7320 -149336.8465 299.1108 -71.5083 -39.0457 558125.4463 3.4838 3.5406 PRESSURE: 1352600 -233.092 -52.3378 44.314 -52.3392 -119.317 78.8577 44.3146 78.8584 -148.509 GPRESSURE: 1352600 -227.621 -117.687 -48.8708 -65.3127 -87.2294 104.629 179.801 126.165 -83.561 PRESSAVG: 1352600 -14.7478 -32.1948 -21.4453 -32.1949 -34.1954 25.9554 -21.4453 25.9555 71.364 GPRESSAVG: 1352600 -13.5366 -33.5174 -20.2895 -32.6877 -34.0451 25.313 -22.4363 26.4925 69.886 TIMING: 1352600 CPU: 4070.51, 0.0030567/step Wall: 4070.51, 0.0030567/step, 3.09694 hours remaining, 208.273438 MB of memory in use. ENERGY: 1352600 768.1312 2071.7604 1930.4491 103.2084 -205800.6921 17517.4117 0.0000 0.0000 34036.9556 -149372.7758 297.2532 -183409.7313 -149280.3706 299.2364 -166.9729 -132.8037 557852.8742 7.4736 7.4348 PRESSURE: 1352800 42.8769 -41.2296 154.707 -41.2304 18.1872 -67.436 154.707 -67.4358 222.1 GPRESSURE: 1352800 134.728 -0.890924 151.083 -111.248 -50.4744 -76.0042 122.39 -81.1968 309.851 PRESSAVG: 1352800 -69.7759 5.82415 25.4708 5.82423 7.45601 77.0516 25.4708 77.0516 49.5689 GPRESSAVG: 1352800 -69.633 5.54264 24.8787 6.55334 6.14759 78.1832 24.94 75.6773 50.6115 TIMING: 1352800 CPU: 4071.12, 0.00305851/step Wall: 4071.12, 0.00305851/step, 3.09861 hours remaining, 208.273438 MB of memory in use. ENERGY: 1352800 735.1515 2112.4963 1941.1407 111.4882 -205917.2872 17803.0825 0.0000 0.0000 33987.5375 -149226.3904 296.8216 -183213.9279 -149129.6175 298.9860 94.3879 131.3683 557300.3039 -4.2503 -4.2913 PRESSURE: 1353000 -175.611 66.3842 67.2183 66.3838 29.0472 -111.862 67.2184 -111.861 -108.843 GPRESSURE: 1353000 -133.725 83.4461 133.673 47.3675 86.3694 -143.632 88.1046 -80.7992 -106.085 PRESSAVG: 1353000 -12.7558 -0.146698 45.5868 -0.146636 6.62001 -49.238 45.5868 -49.238 6.50575 GPRESSAVG: 1353000 -12.7254 0.264241 45.5536 -1.03953 7.80122 -48.3431 43.9535 -48.4137 5.23276 TIMING: 1353000 CPU: 4071.74, 0.00308053/step Wall: 4071.74, 0.00308053/step, 3.12075 hours remaining, 208.273438 MB of memory in use. ENERGY: 1353000 715.8611 2064.7572 1912.1720 109.0707 -205954.2335 17657.4550 0.0000 0.0000 34242.0894 -149252.8280 299.0447 -183494.9174 -149149.0690 299.1870 -85.1354 -51.1469 558977.8898 0.1233 0.1029 PRESSURE: 1353200 -199.505 52.4539 -25.3272 52.454 167.919 -47.1013 -25.3277 -47.1028 -329.775 GPRESSURE: 1353200 -167.607 107.072 31.0418 -4.42958 147.984 53.8472 -51.5022 -148.391 -248.782 PRESSAVG: 1353200 -17.2358 33.1031 -30.7128 33.1031 48.4528 -22.0645 -30.7128 -22.0643 -38.0941 GPRESSAVG: 1353200 -17.1379 32.2456 -31.3987 34.0694 47.9696 -23.0722 -30.5174 -24.5595 -37.489 TIMING: 1353200 CPU: 4072.34, 0.00302753/step Wall: 4072.34, 0.00302753/step, 3.06688 hours remaining, 208.273438 MB of memory in use. ENERGY: 1353200 800.9910 2058.4353 1916.2284 107.4893 -206117.3307 17715.9677 0.0000 0.0000 34353.5069 -149164.7122 300.0177 -183518.2191 -149072.8208 299.4672 -120.4535 -89.4683 558361.8481 -2.2924 -2.2191 PRESSURE: 1353400 13.333 104.924 -145.674 104.924 145.428 18.3844 -145.674 18.3849 20.2835 GPRESSURE: 1353400 36.58 38.0669 -279.598 52.0804 207.775 -86.714 -79.5611 78.0593 37.0892 PRESSAVG: 1353400 13.7845 -9.09018 22.9249 -9.09009 25.1317 54.9211 22.9248 54.921 35.939 GPRESSAVG: 1353400 14.1946 -9.37399 23.5041 -9.83674 25.3668 54.9185 22.7976 56.2956 35.1468 TIMING: 1353400 CPU: 4072.95, 0.00303875/step Wall: 4072.95, 0.00303875/step, 3.07808 hours remaining, 208.273438 MB of memory in use. ENERGY: 1353400 750.3713 2067.7130 1936.0644 107.6975 -206212.0415 17942.1905 0.0000 0.0000 34275.1314 -149132.8733 299.3332 -183408.0048 -149037.1427 298.9521 59.6816 93.8149 557905.1158 24.9517 24.9027 PRESSURE: 1353600 -48.7649 -4.67327 67.242 -4.67441 110.163 -50.8948 67.2412 -50.8945 -103.568 GPRESSURE: 1353600 -62.2397 -4.19402 54.2575 27.659 189.305 -30.6171 16.5343 -34.2247 -65.9348 PRESSAVG: 1353600 45.9249 -10.1874 3.41386 -10.1874 8.10683 21.9332 3.41385 21.9333 -64.8337 GPRESSAVG: 1353600 46.559 -7.79523 3.71374 -10.9803 8.74345 21.7836 2.90078 22.6263 -65.7177 TIMING: 1353600 CPU: 4073.55, 0.00300384/step Wall: 4073.55, 0.00300384/step, 3.04256 hours remaining, 208.273438 MB of memory in use. ENERGY: 1353600 735.8942 2093.2001 1931.3237 110.2789 -206254.4784 17702.6205 0.0000 0.0000 34509.7209 -149171.4401 301.3820 -183681.1610 -149081.1223 299.3348 -14.0566 20.3768 557091.2348 -3.6007 -3.4718 PRESSURE: 1353800 -85.5686 90.1954 -11.2741 90.1959 -206.895 -79.7351 -11.2755 -79.7363 -43.5626 GPRESSURE: 1353800 -32.7228 70.5529 -2.16426 128.104 -200.373 -7.21469 -10.6252 -28.906 -17.4715 PRESSAVG: 1353800 3.18336 11.3698 -0.7272 11.3699 5.64072 40.7583 -0.727182 40.7584 22.8474 GPRESSAVG: 1353800 2.94847 9.34447 -0.935028 12.4688 5.24642 42.293 -0.56749 40.3405 23.2313 TIMING: 1353800 CPU: 4074.15, 0.00299538/step Wall: 4074.15, 0.00299538/step, 3.03382 hours remaining, 208.273438 MB of memory in use. ENERGY: 1353800 774.2389 2083.7987 1920.6753 128.0992 -205989.5789 17687.7512 0.0000 0.0000 34337.3095 -149057.7060 299.8763 -183395.0155 -148961.6081 299.7284 -112.0089 -83.5224 557575.0911 10.5572 10.4754 PRESSURE: 1354000 32.5949 -98.3218 -73.6274 -98.3219 -151.192 -87.1887 -73.628 -87.188 182.855 GPRESSURE: 1354000 77.6508 -144.093 -67.8656 -38.8073 -93.4534 -88.242 -50.2987 -118.021 170.81 PRESSAVG: 1354000 -27.0266 -7.27077 -34.6612 -7.27076 -50.0566 -21.8438 -34.6612 -21.8439 49.2418 GPRESSAVG: 1354000 -27.3088 -7.38206 -34.1381 -8.01371 -49.8011 -21.8681 -33.8123 -21.727 49.665 TIMING: 1354000 CPU: 4074.75, 0.00300736/step Wall: 4074.75, 0.00300736/step, 3.04579 hours remaining, 208.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1354000 722.7613 2106.8360 1954.3296 130.2283 -205749.1632 17707.3833 0.0000 0.0000 34360.7093 -148766.9155 300.0806 -183127.6247 -148668.5018 299.8199 21.4192 51.6693 559068.4709 -9.2805 -9.1483 PRESSURE: 1354200 61.7862 74.8577 26.5624 74.8593 176.394 -267.739 26.5636 -267.738 230.845 GPRESSURE: 1354200 60.283 -9.79652 0.470714 107.855 193.053 -337.922 58.7201 -208.36 307.104 PRESSAVG: 1354200 -19.6926 57.3178 37.6708 57.3178 -26.9396 -4.34645 37.6709 -4.34648 20.1027 GPRESSAVG: 1354200 -21.068 57.0996 37.8417 58.6484 -27.4192 -4.98342 38.0586 -3.4432 21.4499 TIMING: 1354200 CPU: 4075.35, 0.00300937/step Wall: 4075.35, 0.00300937/step, 3.04766 hours remaining, 208.273438 MB of memory in use. ENERGY: 1354200 724.2030 2109.1568 1931.4826 105.1105 -206004.7169 18021.1256 0.0000 0.0000 34422.0041 -148691.6342 300.6159 -183113.6384 -148594.3023 300.4907 156.3418 186.8132 558947.2371 -8.8432 -9.0124 PRESSURE: 1354400 386.341 12.0152 33.9738 12.0154 134.788 -156.243 33.9736 -156.244 215.434 GPRESSURE: 1354400 415.601 58.9939 28.4304 114 184.373 -75.0903 -37.0013 -152.389 234.647 PRESSAVG: 1354400 -12.2957 39.1318 41.7801 39.1318 -70.5366 37.6503 41.7801 37.6501 71.7622 GPRESSAVG: 1354400 -11.8922 40.6128 41.2514 38.94 -70.5237 36.1877 41.4984 36.9946 70.9275 TIMING: 1354400 CPU: 4075.96, 0.00301333/step Wall: 4075.96, 0.00301333/step, 3.0515 hours remaining, 208.273438 MB of memory in use. ENERGY: 1354400 726.6126 2103.8269 1927.7863 109.5213 -206271.1439 18167.0042 0.0000 0.0000 34515.7198 -148720.6727 301.4344 -183236.3926 -148623.6416 300.3818 245.5210 278.2071 557161.0390 -3.6900 -3.8294 PRESSURE: 1354600 -233.436 8.48616 -101.435 8.48666 -340.899 89.8021 -101.435 89.7997 9.4573 GPRESSURE: 1354600 -216.372 38.7863 -20.4111 -46.3882 -267.47 88.7478 -135.738 108.985 13.2173 PRESSAVG: 1354600 -17.5469 20.8697 -26.5224 20.8698 -17.5939 -31.6552 -26.5225 -31.6553 44.3946 GPRESSAVG: 1354600 -17.5165 19.6216 -27.0113 20.9875 -16.7644 -30.1017 -26.571 -33.199 43.6394 TIMING: 1354600 CPU: 4076.55, 0.00297346/step Wall: 4076.55, 0.00297346/step, 3.01096 hours remaining, 208.273438 MB of memory in use. ENERGY: 1354600 701.9785 2048.8175 1920.6465 122.4157 -205536.6962 17433.4934 0.0000 0.0000 34476.7587 -148832.5860 301.0941 -183309.3447 -148732.4285 300.2582 -188.2925 -156.8747 557939.7641 3.0846 3.1195 PRESSURE: 1354800 -143.244 61.751 -74.8405 61.7515 150.096 46.0712 -74.8398 46.0716 7.49795 GPRESSURE: 1354800 -56.7791 90.8241 -44.744 109.531 140.205 -9.5661 -36.633 61.4538 23.7235 PRESSAVG: 1354800 4.86555 -20.0822 -5.02 -20.0823 -3.65625 -20.6769 -5.01996 -20.677 9.96056 GPRESSAVG: 1354800 5.62981 -21.0157 -1.53549 -19.1884 -3.54434 -20.8052 -5.39787 -18.2295 9.1282 TIMING: 1354800 CPU: 4077.15, 0.00297724/step Wall: 4077.15, 0.00297724/step, 3.01462 hours remaining, 208.273438 MB of memory in use. ENERGY: 1354800 740.7690 2142.3169 1923.7498 119.1885 -206037.8375 17791.0013 0.0000 0.0000 34540.8052 -148780.0069 301.6534 -183320.8121 -148682.9426 300.8252 4.7834 35.7163 559180.4340 3.7233 3.7379 PRESSURE: 1355000 -327.13 160.673 -77.085 160.673 66.8037 -97.5497 -77.0857 -97.5498 -153.714 GPRESSURE: 1355000 -292.544 126.436 -34.2159 224.228 59.1365 -124.827 -62.4114 -60.8625 -84.6457 PRESSAVG: 1355000 -79.778 -3.6855 40.1901 -3.68548 5.10291 5.50119 40.1901 5.50112 37.9804 GPRESSAVG: 1355000 -79.8969 -2.84123 38.6651 -2.91546 3.71331 5.92855 40.846 3.3257 39.1727 TIMING: 1355000 CPU: 4077.74, 0.00298835/step Wall: 4077.74, 0.00298835/step, 3.02571 hours remaining, 208.273438 MB of memory in use. ENERGY: 1355000 752.8322 2112.0785 1949.2030 127.7200 -205383.4803 17572.6893 0.0000 0.0000 34231.9531 -148637.0043 298.9562 -182868.9574 -148542.9671 300.5254 -138.0133 -106.0176 559735.8378 -12.2315 -12.3370 PRESSURE: 1355200 58.2034 12.2562 -100.34 12.2564 48.3313 -21.2795 -100.341 -21.2777 -172.735 GPRESSURE: 1355200 70.9818 -50.7086 -81.3946 66.6521 62.4379 21.1125 -203.658 -60.1764 -94.168 PRESSAVG: 1355200 -20.9897 -49.3946 31.9667 -49.3946 43.7256 -0.280171 31.9667 -0.280127 6.16832 GPRESSAVG: 1355200 -22.304 -50.6251 31.0733 -51.4517 44.3322 -0.473479 32.1786 0.392482 6.85052 TIMING: 1355200 CPU: 4078.35, 0.00303575/step Wall: 4078.35, 0.00303575/step, 3.07353 hours remaining, 208.273438 MB of memory in use. ENERGY: 1355200 722.9818 2085.5567 1910.3071 119.0092 -205787.1858 17798.7814 0.0000 0.0000 34239.2865 -148911.2631 299.0202 -183150.5497 -148805.3778 300.2466 -22.0668 13.0839 559303.3600 9.6347 9.6262 PRESSURE: 1355400 -68.5297 43.2061 78.5991 43.205 117.273 173.726 78.598 173.726 -242.181 GPRESSURE: 1355400 -38.0667 14.0125 71.6718 110.651 134.744 161.538 114.249 153.153 -194.482 PRESSAVG: 1355400 -18.836 38.9472 5.23033 38.9472 23.0079 15.6057 5.23036 15.6056 -24.4352 GPRESSAVG: 1355400 -18.0705 41.2442 6.52122 39.3962 22.0634 15.4781 5.41667 15.3406 -24.4562 TIMING: 1355400 CPU: 4078.97, 0.00307544/step Wall: 4078.97, 0.00307544/step, 3.11354 hours remaining, 208.273438 MB of memory in use. ENERGY: 1355400 729.3641 2151.9628 1911.3719 91.4677 -205827.0253 17805.8529 0.0000 0.0000 34380.4993 -148756.5066 300.2535 -183137.0059 -148664.9313 299.8871 -64.4790 -32.6016 558820.4825 -6.7544 -6.8211 PRESSURE: 1355600 142.547 48.3523 78.5848 48.3511 -47.4702 -85.1553 78.5856 -85.1557 35.1364 GPRESSURE: 1355600 188.053 -33.3709 48.0689 130.174 -63.4223 -85.8391 41.7862 -38.3156 119.722 PRESSAVG: 1355600 -9.00898 25.9272 39.0412 25.9271 16.8849 1.93588 39.0412 1.93591 -16.3718 GPRESSAVG: 1355600 -8.69413 25.691 38.0211 25.5288 18.5663 4.22482 36.2751 0.0382979 -18.1579 TIMING: 1355600 CPU: 4079.57, 0.00303765/step Wall: 4079.57, 0.00303765/step, 3.07512 hours remaining, 208.273438 MB of memory in use. ENERGY: 1355600 706.7154 2103.5144 1953.2104 113.2373 -205883.9285 17797.1938 0.0000 0.0000 34407.3973 -148802.6599 300.4884 -183210.0572 -148705.0243 300.5285 43.4045 81.4508 557519.1638 -2.8320 -2.7619 PRESSURE: 1355800 -150.191 -306.106 32.1681 -306.106 -67.8999 217.064 32.1677 217.064 -32.7822 GPRESSURE: 1355800 -202.153 -280.523 29.6706 -257.002 4.594 234.631 51.6102 179.007 57.9035 PRESSAVG: 1355800 3.35891 2.16328 4.89559 2.16323 8.45603 31.7805 4.89562 31.7805 -25.2375 GPRESSAVG: 1355800 2.75958 1.17702 4.2814 3.90099 8.59051 28.1784 7.25957 34.5123 -25.0339 TIMING: 1355800 CPU: 4080.18, 0.0030117/step Wall: 4080.18, 0.0030117/step, 3.04868 hours remaining, 208.273438 MB of memory in use. ENERGY: 1355800 720.2185 2072.8627 1961.4917 99.0165 -205862.6158 17818.6266 0.0000 0.0000 34245.9479 -148944.4519 299.0784 -183190.3997 -148848.1153 299.9001 -83.6243 -46.5517 559415.5381 -4.4742 -4.5613 PRESSURE: 1356000 -146.577 -24.0399 -95.474 -24.0399 109.553 -8.36177 -95.474 -8.36217 -7.96109 GPRESSURE: 1356000 -80.3757 10.5158 -137.336 43.3862 126.214 45.3619 -47.5213 12.5997 9.74746 PRESSAVG: 1356000 -17.0795 8.60699 15.4819 8.60702 -3.48448 2.92145 15.482 2.92144 -1.15639 GPRESSAVG: 1356000 -17.7486 7.56727 15.4504 8.53401 -4.22775 6.06129 15.2414 2.59559 0.507003 TIMING: 1356000 CPU: 4080.78, 0.00301281/step Wall: 4080.78, 0.00301281/step, 3.04963 hours remaining, 208.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1356000 766.5538 2097.9236 1931.6693 118.3960 -205842.2962 17741.7376 0.0000 0.0000 34266.3973 -148919.6185 299.2570 -183186.0158 -148826.2443 300.1328 -14.9951 18.5286 557311.9868 -7.2401 -7.1564 PRESSURE: 1356200 -113.6 -59.8597 3.46289 -59.8592 61.2241 -6.56039 3.46365 -6.56101 -166.873 GPRESSURE: 1356200 -121.072 24.4652 25.0535 -75.5898 104.975 31.7606 -47.2384 -17.0362 -95.6724 PRESSAVG: 1356200 -41.8143 29.4079 -20.4735 29.4079 26.9275 2.61856 -20.4735 2.61861 45.0109 GPRESSAVG: 1356200 -41.1053 32.4072 -21.0312 28.3225 25.9172 1.68869 -20.0239 4.8417 45.4466 TIMING: 1356200 CPU: 4081.38, 0.00301421/step Wall: 4081.38, 0.00301421/step, 3.05088 hours remaining, 208.273438 MB of memory in use. ENERGY: 1356200 708.8357 2135.6919 1907.0454 105.0854 -205583.8133 17454.3693 0.0000 0.0000 34432.6516 -148840.1339 300.7089 -183272.7855 -148746.0565 300.1753 -73.0827 -37.2563 557198.8363 10.0413 10.0862 LDB: ============= START OF LOAD BALANCING ============== 4084.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4084.9 LDB: =============== DONE WITH MIGRATION ================ 4084.9 LDB: ============= START OF LOAD BALANCING ============== 4085.2 LDB: Largest compute 4800 load 0.030777 is 26.1% of average load 0.117958 LDB: Average compute 0.001738 is 1.5% of average load 0.117958 LDB: TIME 4085.2 LOAD: AVG 0.117958 MAX 0.215637 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.777 MB LDB: TIME 4085.2 LOAD: AVG 0.117958 MAX 0.215637 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.777 MB LDB: TIME 4085.2 LOAD: AVG 0.117958 MAX 0.215637 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.777 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4085.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4085.21 PRESSURE: 1356400 -85.1785 51.2921 -83.9723 51.2917 103.337 -130.154 -83.972 -130.152 48.3802 GPRESSURE: 1356400 -71.9025 84.6808 -112.021 34.1564 121.142 -122.647 -125.562 -32.5992 97.5661 PRESSAVG: 1356400 18.3792 44.6824 5.00087 44.6824 -36.8749 18.1847 5.0008 18.1847 22.7634 GPRESSAVG: 1356400 18.7013 44.1829 6.41563 44.691 -36.606 17.7477 4.28857 16.367 22.3169 TIMING: 1356400 CPU: 4081.99, 0.00305793/step Wall: 4081.99, 0.00305793/step, 3.09497 hours remaining, 210.003906 MB of memory in use. ENERGY: 1356400 742.8483 2115.3621 1920.6697 126.8017 -206062.3084 17795.3184 0.0000 0.0000 34525.8633 -148835.4449 301.5230 -183361.3082 -148739.9840 300.2122 22.1795 48.9353 557277.7599 1.4225 1.4707 PRESSURE: 1356600 119.576 33.7578 41.106 33.7582 269.322 6.44321 41.1056 6.442 3.45022 GPRESSURE: 1356600 150.696 -31.4276 -23.4703 33.1844 317.435 73.1773 0.162771 -49.7924 28.1422 PRESSAVG: 1356600 -32.4184 56.3012 -31.7488 56.3012 -7.64089 5.51001 -31.7487 5.51 -5.10061 GPRESSAVG: 1356600 -33.4721 54.3959 -32.0673 56.9246 -6.14047 7.10476 -33.9189 2.77024 -5.56396 TIMING: 1356600 CPU: 4082.59, 0.0029784/step Wall: 4082.59, 0.0029784/step, 3.01431 hours remaining, 210.464844 MB of memory in use. ENERGY: 1356600 769.8202 2168.8442 1946.9989 127.7516 -206234.2344 18099.2873 0.0000 0.0000 34396.4679 -148725.0645 300.3929 -183121.5323 -148627.7094 300.9123 130.7827 165.4243 557172.9605 -15.0533 -15.0589 PRESSURE: 1356800 43.2027 64.583 -123.611 64.5833 45.5495 -45.5673 -123.611 -45.5663 153.786 GPRESSURE: 1356800 92.1134 42.5116 -115.499 8.61412 36.4475 -67.7779 -186.763 -37.6118 210.112 PRESSAVG: 1356800 -7.51925 -2.55441 -10.5954 -2.55447 -10.2968 40.6129 -10.5955 40.6128 41.9656 GPRESSAVG: 1356800 -7.01019 -3.67281 -11.5032 -3.81764 -11.4057 40.6711 -8.35802 41.9506 42.6379 TIMING: 1356800 CPU: 4083.19, 0.00299837/step Wall: 4083.19, 0.00299837/step, 3.03435 hours remaining, 210.464844 MB of memory in use. ENERGY: 1356800 729.8594 2065.9844 1942.1679 117.2809 -205796.4473 17863.5026 0.0000 0.0000 34449.4473 -148628.2049 300.8556 -183077.6521 -148529.6690 301.4089 80.8462 112.8910 557453.2058 8.0499 8.0740 PRESSURE: 1357000 297.909 12.7404 -101.484 12.7404 -80.9078 -31.1378 -101.485 -31.1382 129.328 GPRESSURE: 1357000 322.255 -24.4229 -14.2532 -15.6758 -9.30495 23.5733 -182.871 -76.1684 116.991 PRESSAVG: 1357000 4.2129 -7.23646 -29.2796 -7.23654 0.36253 -5.32436 -29.2797 -5.3243 -24.6695 GPRESSAVG: 1357000 5.64889 -4.43605 -28.853 -8.97073 -0.561985 -6.79023 -28.6263 -3.98354 -24.7779 TIMING: 1357000 CPU: 4083.79, 0.0030248/step Wall: 4083.79, 0.0030248/step, 3.06093 hours remaining, 210.464844 MB of memory in use. ENERGY: 1357000 754.5080 2093.6498 1934.9306 118.4378 -205805.9232 17788.8051 0.0000 0.0000 34377.9652 -148737.6268 300.2313 -183115.5919 -148635.8034 300.9518 115.4433 143.3138 557648.1872 -6.6980 -6.5637 PRESSURE: 1357200 -90.6872 -114.45 -75.0298 -114.449 -54.1939 -116.411 -75.0303 -116.41 294.847 GPRESSURE: 1357200 -112.59 -32.8238 -126.316 -149.055 -15.6359 -186.259 -14.6561 -24.6245 371.638 PRESSAVG: 1357200 -102.367 -46.0628 -30.7526 -46.0627 2.81488 -25.4871 -30.7526 -25.4871 62.6843 GPRESSAVG: 1357200 -103.42 -46.8789 -32.8815 -45.3151 3.6313 -24.5398 -31.4003 -24.7175 62.9311 TIMING: 1357200 CPU: 4084.4, 0.00301931/step Wall: 4084.4, 0.0030193/step, 3.0552 hours remaining, 210.464844 MB of memory in use. ENERGY: 1357200 765.4224 2131.6737 1928.3328 121.8395 -205959.0092 17838.4448 0.0000 0.0000 34362.8195 -148810.4764 300.0990 -183173.2960 -148715.9599 300.6145 49.9888 81.1374 560208.7971 -12.2892 -12.2859 PRESSURE: 1357400 -115.184 0.664008 -113.8 0.66308 -206.163 -71.749 -113.801 -71.7471 65.0304 GPRESSURE: 1357400 -112.045 108.489 -125.482 -129.392 -190.731 -57.0914 -105.421 -43.6607 149.705 PRESSAVG: 1357400 3.06824 40.3534 1.67807 40.3534 19.9666 -22.804 1.67804 -22.8039 20.4636 GPRESSAVG: 1357400 2.59262 39.2752 3.68388 41.3819 20.2717 -23.9672 1.662 -22.6216 20.1397 TIMING: 1357400 CPU: 4085, 0.00300209/step Wall: 4085, 0.0030021/step, 3.03762 hours remaining, 210.464844 MB of memory in use. ENERGY: 1357400 752.7670 2102.2265 1964.4399 120.4594 -205805.1308 17558.3220 0.0000 0.0000 34417.8944 -148889.0215 300.5800 -183306.9159 -148788.4625 300.4512 -85.4388 -51.0238 558164.8714 14.4995 14.3347 PRESSURE: 1357600 -48.7782 245.125 -76.7185 245.126 196.186 19.0499 -76.7196 19.0494 -49.3889 GPRESSURE: 1357600 -74.6809 240.274 -113.07 270.038 308.71 -19.0679 -26.1524 41.1527 -46.0224 PRESSAVG: 1357600 -20.0802 26.5145 -16.5594 26.5146 -2.93617 -3.71444 -16.5595 -3.71456 3.48705 GPRESSAVG: 1357600 -19.0093 25.5296 -17.3153 27.1673 -3.17259 -4.77431 -17.5399 -2.57299 3.05159 TIMING: 1357600 CPU: 4085.6, 0.00298975/step Wall: 4085.6, 0.00298975/step, 3.02496 hours remaining, 210.535156 MB of memory in use. ENERGY: 1357600 776.5656 2130.4067 1921.2175 122.2395 -206140.5437 17846.1694 0.0000 0.0000 34349.2657 -148994.6792 299.9807 -183343.9449 -148895.9362 300.5208 32.6731 62.6690 557374.9149 -6.5098 -6.3768 PRESSURE: 1357800 -317.901 -100.971 -154.387 -100.972 -134.555 173.212 -154.387 173.212 -287.186 GPRESSURE: 1357800 -316.063 -157.934 -156.043 -8.47432 -91.7578 130.823 -92.2309 196.517 -235.682 PRESSAVG: 1357800 26.6558 30.5959 -46.1669 30.5959 -3.42264 44.8221 -46.1669 44.8221 0.391273 GPRESSAVG: 1357800 25.5922 33.2376 -46.8407 30.6999 -3.51215 45.5441 -45.9004 43.9506 2.32846 TIMING: 1357800 CPU: 4086.2, 0.00299603/step Wall: 4086.2, 0.00299603/step, 3.03115 hours remaining, 210.535156 MB of memory in use. ENERGY: 1357800 780.3046 2152.4620 1917.7477 107.1701 -205906.8415 17479.0792 0.0000 0.0000 34292.3361 -149177.7418 299.4835 -183470.0779 -149076.5047 300.3690 -246.5475 -214.5009 557348.4824 7.8748 8.1362 PRESSURE: 1358000 3.68772 -26.3017 39.5056 -26.3016 63.1078 -11.9219 39.5069 -11.9214 81.1878 GPRESSURE: 1358000 54.5151 -75.2437 84.3657 -9.80524 100.021 12.3718 -92.9205 -10.6716 93.5784 PRESSAVG: 1358000 -33.5698 -2.10085 -61.0576 -2.10089 -22.9895 11.2953 -61.0576 11.2952 36.2515 GPRESSAVG: 1358000 -32.824 -3.50326 -60.3456 -2.3499 -22.049 10.2511 -61.2485 12.1784 34.4759 TIMING: 1358000 CPU: 4086.79, 0.00298063/step Wall: 4086.79, 0.00298063/step, 3.0154 hours remaining, 210.535156 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: 1358000 746.0520 2120.1211 1905.8377 126.9732 -206237.6104 17888.4444 0.0000 0.0000 34302.3884 -149147.7934 299.5713 -183450.1819 -149048.3253 300.1663 49.3278 82.7047 556852.5858 -6.7693 -6.7990 PRESSURE: 1358200 186.24 -28.9452 19.1647 -28.9449 -28.4919 -258.165 19.164 -258.164 -0.952383 GPRESSURE: 1358200 196.659 -80.1827 65.2466 -8.70679 1.9196 -198.17 -34.4842 -305.984 67.1984 PRESSAVG: 1358200 -20.6857 -19.0774 20.6462 -19.0773 -34.3869 -17.6425 20.6461 -17.6424 28.8664 GPRESSAVG: 1358200 -21.1072 -19.2306 20.7691 -18.6364 -35.2478 -15.5549 21.6574 -17.8014 29.8367 TIMING: 1358200 CPU: 4087.39, 0.00299468/step Wall: 4087.39, 0.00299468/step, 3.02945 hours remaining, 210.535156 MB of memory in use. ENERGY: 1358200 731.1188 2128.4810 1893.5121 114.0127 -205776.0749 17596.9957 0.0000 0.0000 34301.2784 -149010.6762 299.5616 -183311.9546 -148918.2584 300.2343 52.2651 88.5922 556752.7777 -8.7354 -8.8394 PRESSURE: 1358400 148.378 19.0544 178.071 19.0543 62.2869 -61.861 178.071 -61.8601 109.011 GPRESSURE: 1358400 158.721 -5.06985 274.694 -39.2243 91.5942 -63.2138 94.9147 -62.7177 176.811 PRESSAVG: 1358400 20.7612 -29.0639 0.615718 -29.0639 -30.9722 -21.637 0.615606 -21.6371 9.50069 GPRESSAVG: 1358400 21.2625 -28.71 3.16773 -30.2279 -30.0735 -23.5832 0.185922 -22.3845 8.55249 TIMING: 1358400 CPU: 4087.99, 0.00298637/step Wall: 4087.99, 0.00298637/step, 3.02087 hours remaining, 210.535156 MB of memory in use. ENERGY: 1358400 715.4940 2066.5898 1916.4655 109.0957 -206188.4496 17862.7313 0.0000 0.0000 34193.5341 -149324.5391 298.6206 -183518.0732 -149224.3420 299.3078 106.5588 142.3751 557461.2286 -0.2368 -0.0862 PRESSURE: 1358600 -95.4272 -114.323 74.5977 -114.324 -14.1555 30.0529 74.5974 30.0544 265.816 GPRESSURE: 1358600 -72.4417 -168.509 155.013 -61.3447 -1.65601 59.5067 101.515 16.111 325.311 PRESSAVG: 1358600 16.1753 -103.222 -2.98855 -103.222 21.6218 -30.9597 -2.98851 -30.9597 -19.6716 GPRESSAVG: 1358600 16.4507 -103.393 -3.40757 -104.627 20.6217 -29.3745 -3.3579 -30.6998 -19.0373 TIMING: 1358600 CPU: 4088.59, 0.00301252/step Wall: 4088.59, 0.00301252/step, 3.04716 hours remaining, 210.535156 MB of memory in use. ENERGY: 1358600 719.7861 2069.3553 1931.7018 106.7688 -206051.2344 17835.9441 0.0000 0.0000 34124.4107 -149263.2675 298.0170 -183387.6782 -149161.2953 299.1854 52.0777 83.7378 558609.8384 6.0418 6.0117 PRESSURE: 1358800 20.9995 3.3314 84.9701 3.33139 -84.7194 -2.88398 84.9705 -2.88522 17.5734 GPRESSURE: 1358800 58.5763 -15.0807 228.666 65.5539 -34.0599 -14.0775 77.6542 32.4388 36.7731 PRESSAVG: 1358800 -42.9813 -9.67505 17.5789 -9.67505 38.5334 22.5362 17.5789 22.5362 -14.3906 GPRESSAVG: 1358800 -44.0282 -9.34968 16.2637 -7.77072 39.0524 21.6676 18.0752 23.1886 -14.1911 TIMING: 1358800 CPU: 4089.19, 0.00300116/step Wall: 4089.19, 0.00300116/step, 3.0355 hours remaining, 210.738281 MB of memory in use. ENERGY: 1358800 727.9307 2088.1035 1907.7012 109.2659 -206278.1709 17781.1723 0.0000 0.0000 34326.9849 -149337.0125 299.7861 -183663.9974 -149246.3599 299.3909 -15.3822 20.4298 557967.0751 -6.2795 -6.3890 PRESSURE: 1359000 60.1625 49.7634 124.399 49.7649 285.301 -130.179 124.399 -130.177 -45.4509 GPRESSURE: 1359000 129.53 43.8684 146.552 10.3552 323.381 -210.943 85.4562 6.33379 -48.8886 PRESSAVG: 1359000 -34.9032 14.175 11.7921 14.1751 19.5424 30.2021 11.7921 30.2021 -28.5121 GPRESSAVG: 1359000 -35.0949 13.9928 10.2475 12.4201 19.0451 32.4576 12.6924 29.4526 -28.1259 TIMING: 1359000 CPU: 4089.78, 0.00297064/step Wall: 4089.78, 0.00297064/step, 3.00447 hours remaining, 210.738281 MB of memory in use. ENERGY: 1359000 749.0922 2132.2095 1912.4298 121.0197 -206447.0045 17933.6584 0.0000 0.0000 34231.1747 -149367.4203 298.9494 -183598.5950 -149263.1367 298.6127 100.0041 134.6740 557067.7402 -14.6243 -14.7252 PRESSURE: 1359200 -174.622 -21.467 20.4301 -21.4667 -82.5685 -82.1562 20.4307 -82.1561 86.0977 GPRESSURE: 1359200 -134.415 10.5743 28.3506 2.73077 -42.9776 18.1696 -17.3091 -163.746 99.2143 PRESSAVG: 1359200 58.7623 -1.40696 -14.4578 -1.40691 -3.00163 -61.2794 -14.458 -61.2795 -41.7719 GPRESSAVG: 1359200 58.9675 -2.34548 -13.798 1.10394 -2.62417 -63.025 -15.1694 -63.32 -42.5086 TIMING: 1359200 CPU: 4090.38, 0.00298712/step Wall: 4090.38, 0.00298712/step, 3.02097 hours remaining, 210.738281 MB of memory in use. ENERGY: 1359200 758.2887 2109.6966 1923.3872 118.5543 -206493.1016 17969.4992 0.0000 0.0000 34362.6174 -149251.0583 300.0973 -183613.6757 -149148.3351 299.7368 -57.0309 -26.0596 557946.7941 4.6629 4.6115 PRESSURE: 1359400 -166.358 35.2536 131.967 35.2548 -101.403 -38.7 131.966 -38.7001 -90.3938 GPRESSURE: 1359400 -110.388 -56.7748 194.878 70.6619 -119.17 39.9562 61.6326 -91.7356 -33.286 PRESSAVG: 1359400 11.8491 -26.8059 22.5458 -26.8059 22.5939 -6.40995 22.5458 -6.40998 -3.81312 GPRESSAVG: 1359400 11.5411 -26.311 22.2656 -27.3367 21.2265 -4.63246 22.4416 -6.32373 -2.70794 TIMING: 1359400 CPU: 4090.98, 0.00298214/step Wall: 4090.98, 0.00298214/step, 3.01578 hours remaining, 210.738281 MB of memory in use. ENERGY: 1359400 798.6346 2120.5575 1901.7078 123.2734 -206249.2686 17740.8120 0.0000 0.0000 34312.8031 -149251.4803 299.6622 -183564.2833 -149155.9641 299.6006 -119.3851 -87.6150 557634.2065 10.2100 10.0199 PRESSURE: 1359600 278 159.526 -26.3997 159.525 129.754 -33.2693 -26.3989 -33.2672 -192.224 GPRESSURE: 1359600 283.296 139.861 -61.3152 116.171 179.478 -38.0446 -21.9296 79.503 -160.39 PRESSAVG: 1359600 -11.5509 26.656 26.2238 26.6561 16.4233 -0.0457397 26.2236 -0.0457595 -37.4589 GPRESSAVG: 1359600 -11.9589 27.0413 27.6702 24.2633 18.265 -0.802287 23.6858 0.131717 -39.0678 TIMING: 1359600 CPU: 4091.58, 0.00301951/step Wall: 4091.58, 0.00301951/step, 3.0534 hours remaining, 210.738281 MB of memory in use. ENERGY: 1359600 722.5138 2119.8670 1921.7807 115.8535 -206591.6514 17872.5648 0.0000 0.0000 34474.6979 -149364.3737 301.0761 -183839.0716 -149266.8726 299.7892 71.8433 100.7946 556404.1243 -10.8622 -10.9206 PRESSURE: 1359800 318.598 2.49908 -118.032 2.50088 169.424 -67.3974 -118.033 -67.3978 -54.7472 GPRESSURE: 1359800 353.833 98.7637 -69.7329 -95.6947 239.943 -84.7469 -143.156 -54.9994 -61.1339 PRESSAVG: 1359800 90.5354 46.5599 -15.468 46.56 -2.04507 6.94464 -15.4681 6.94455 -89.7056 GPRESSAVG: 1359800 91.9931 45.3147 -17.2887 49.2989 -3.46242 4.44681 -12.947 10.1597 -88.8519 TIMING: 1359800 CPU: 4092.18, 0.00300361/step Wall: 4092.18, 0.00300361/step, 3.03715 hours remaining, 210.738281 MB of memory in use. ENERGY: 1359800 694.7023 2090.7350 1937.3121 91.9076 -206198.7762 17806.5906 0.0000 0.0000 34245.7352 -149331.7936 299.0765 -183577.5288 -149224.1213 299.7609 144.4248 177.5474 557691.2264 -0.4051 -0.1071 PRESSURE: 1360000 -86.8187 -9.60953 8.83884 -9.60924 152.005 180.358 8.84014 180.357 -90.0607 GPRESSURE: 1360000 -72.9319 10.6351 33.1333 -10.1744 209.466 187.39 44.9215 123.184 -68.3569 PRESSAVG: 1360000 61.9807 5.89777 33.4573 5.89781 -1.47269 12.4965 33.4573 12.4966 -58.0221 GPRESSAVG: 1360000 60.9641 6.79276 35.263 3.6755 -0.33847 12.5547 31.3554 11.6681 -58.0677 TIMING: 1360000 CPU: 4092.79, 0.00303715/step Wall: 4092.79, 0.00303715/step, 3.07089 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: 1360000 752.6979 2124.5141 1920.5194 115.8456 -206762.5581 17977.6374 0.0000 0.0000 34364.8427 -149506.5009 300.1167 -183871.3436 -149409.2906 298.8057 -8.2914 22.7258 556295.1431 0.8287 0.8527 PRESSURE: 1360200 -462.262 -44.4101 74.7702 -44.4108 -55.812 77.8381 74.7695 77.8399 -43.776 GPRESSURE: 1360200 -393.985 -62.9754 53.0649 -114.666 18.9076 58.5953 66.71 59.1409 -84.2315 PRESSAVG: 1360200 -4.42167 46.8987 34.7258 46.8988 35.0073 11.082 34.7259 11.0821 -35.8609 GPRESSAVG: 1360200 -4.87593 46.824 31.8449 46.4985 35.5039 12.2106 35.9692 10.1449 -36.3254 TIMING: 1360200 CPU: 4093.4, 0.00305255/step Wall: 4093.4, 0.00305255/step, 3.0863 hours remaining, 210.738281 MB of memory in use. ENERGY: 1360200 738.6716 2120.6284 1933.4404 111.5417 -206273.1161 17654.5793 0.0000 0.0000 34155.4919 -149558.7627 298.2884 -183714.2546 -149463.0075 298.3923 -187.2834 -153.1030 558088.5956 -1.7584 -1.8992 LDB: ============= START OF LOAD BALANCING ============== 4096.92 LDB: ============== END OF LOAD BALANCING =============== 4096.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4096.92 LDB: ============= START OF LOAD BALANCING ============== 4097.23 LDB: Largest compute 4800 load 0.031148 is 26.4% of average load 0.117914 LDB: Average compute 0.001741 is 1.5% of average load 0.117914 LDB: TIME 4097.23 LOAD: AVG 0.117914 MAX 0.218361 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.016 MB LDB: TIME 4097.23 LOAD: AVG 0.117914 MAX 0.218361 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.02 MB LDB: TIME 4097.23 LOAD: AVG 0.117914 MAX 0.218361 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.02 MB LDB: ============== END OF LOAD BALANCING =============== 4097.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4097.23 PRESSURE: 1360400 84.2631 53.3322 26.4968 53.3317 90.7713 66.0772 26.4985 66.0763 -29.3237 GPRESSURE: 1360400 137.016 91.4492 90.41 -11.848 83.1036 -11.3453 -33.2816 143.843 25.1195 PRESSAVG: 1360400 -43.3077 50.9864 32.2681 50.9865 -23.3509 23.8459 32.2681 23.8457 99.8989 GPRESSAVG: 1360400 -43.6305 49.6636 34.0602 51.5431 -23.6671 23.1478 32.761 23.1902 101.187 TIMING: 1360400 CPU: 4094.02, 0.0030863/step Wall: 4094.02, 0.0030863/step, 3.12025 hours remaining, 209.816406 MB of memory in use. ENERGY: 1360400 744.8304 2074.1765 1908.5974 113.3939 -206494.5749 18100.1031 0.0000 0.0000 34031.9166 -149521.5570 297.2092 -183553.4735 -149424.3253 298.6998 48.5702 81.7464 557460.2244 11.0801 11.2965 PRESSURE: 1360600 23.7735 12.3613 114.836 12.3616 25.1286 97.0092 114.837 97.0087 -35.6256 GPRESSURE: 1360600 135.558 43.164 105.249 -13.3291 -20.2244 53.6734 127.372 117.316 -9.17809 PRESSAVG: 1360600 29.9173 61.6076 18.1492 61.6077 -61.2327 -42.4965 18.1493 -42.4967 -10.9053 GPRESSAVG: 1360600 29.9835 62.6814 19.3328 61.8683 -61.5068 -42.1634 15.6227 -42.9127 -10.7128 TIMING: 1360600 CPU: 4094.62, 0.00301465/step Wall: 4094.62, 0.00301465/step, 3.04764 hours remaining, 209.886719 MB of memory in use. ENERGY: 1360600 738.3226 2139.0444 1909.7519 124.8272 -206395.6129 17835.3222 0.0000 0.0000 34237.1594 -149411.1852 299.0016 -183648.3446 -149321.3160 298.6768 4.4255 35.3853 556868.8947 -14.0736 -14.0787 PRESSURE: 1360800 -61.507 -90.7444 -40.0887 -90.7447 26.6006 -105.394 -40.0878 -105.395 -295.963 GPRESSURE: 1360800 -85.1025 7.93316 -12.0433 -86.7603 6.82598 -132.855 -14.0415 -37.9191 -154.886 PRESSAVG: 1360800 -50.171 35.5698 -28.3387 35.5699 45.6911 -42.4711 -28.3387 -42.4711 8.82174 GPRESSAVG: 1360800 -49.5394 35.9852 -28.8203 35.4561 45.1146 -41.2229 -29.2021 -42.404 8.81287 TIMING: 1360800 CPU: 4095.23, 0.00304286/step Wall: 4095.23, 0.00304286/step, 3.07599 hours remaining, 209.886719 MB of memory in use. ENERGY: 1360800 717.4742 2117.2099 1926.4996 130.1214 -206316.2605 17678.8575 0.0000 0.0000 34364.6026 -149381.4953 300.1146 -183746.0979 -149286.2481 299.1980 -110.2899 -77.7208 555993.3720 1.4473 1.4627 PRESSURE: 1361000 12.4017 101.106 46.9834 101.105 66.0741 -184.834 46.9831 -184.833 -70.5813 GPRESSURE: 1361000 104.779 106.303 96.0297 94.8954 82.5546 -203.29 10.6146 -48.1019 -86.4333 PRESSAVG: 1361000 -29.7195 69.793 -15.9255 69.793 59.7712 -22.4625 -15.9255 -22.4626 -38.2907 GPRESSAVG: 1361000 -30.4839 67.6779 -16.742 69.5292 60.2879 -21.923 -13.2631 -22.0104 -38.6885 TIMING: 1361000 CPU: 4095.84, 0.00305951/step Wall: 4095.84, 0.00305951/step, 3.09265 hours remaining, 209.886719 MB of memory in use. ENERGY: 1361000 734.2971 2129.3074 1932.9847 115.8900 -206435.2514 17904.3588 0.0000 0.0000 34152.0301 -149466.3833 298.2582 -183618.4134 -149368.0901 299.2934 2.6315 33.6336 557422.1738 -2.7463 -2.9615 PRESSURE: 1361200 -79.8967 4.57405 -72.3077 4.57383 -172.444 117.639 -72.3074 117.639 -241.394 GPRESSURE: 1361200 24.3587 -30.49 -116.686 107.365 -160.893 91.8428 36.5089 137.504 -264.392 PRESSAVG: 1361200 76.9331 13.0582 -45.2758 13.0583 22.2654 7.41001 -45.2759 7.40997 -72.2429 GPRESSAVG: 1361200 77.2017 13.3708 -44.1268 12.3937 22.3507 5.61155 -46.9579 6.82534 -72.5311 TIMING: 1361200 CPU: 4096.44, 0.0030136/step Wall: 4096.44, 0.0030136/step, 3.04608 hours remaining, 209.886719 MB of memory in use. ENERGY: 1361200 757.2831 2074.0168 1906.5914 101.4312 -206213.1933 17704.0334 0.0000 0.0000 34157.8498 -149511.9877 298.3090 -183669.8375 -149418.0396 298.2675 -164.5783 -133.6419 558823.7321 8.9852 9.0071 PRESSURE: 1361400 194.571 99.1076 143.914 99.108 -52.2388 222.672 143.913 222.671 -75.9492 GPRESSURE: 1361400 154.822 43.0249 19.0064 98.7527 30.26 213.25 113.483 198.78 -25.5893 PRESSAVG: 1361400 21.2891 -50.7207 2.65105 -50.7207 26.7059 16.0464 2.65106 16.0465 -50.1487 GPRESSAVG: 1361400 21.3138 -48.7624 1.95434 -51.593 26.1502 16.9489 2.93649 14.2563 -49.8747 TIMING: 1361400 CPU: 4097.05, 0.0030092/step Wall: 4097.05, 0.0030092/step, 3.04146 hours remaining, 209.886719 MB of memory in use. ENERGY: 1361400 720.0877 2080.8995 1912.9220 114.9378 -206199.6346 17885.4723 0.0000 0.0000 34116.0725 -149369.2427 297.9441 -183485.3153 -149279.6750 298.4474 22.1277 53.1641 558232.2698 -0.7179 -0.8036 PRESSURE: 1361600 138.261 -5.33558 -159.287 -5.33575 -174.329 68.1889 -159.287 68.1872 61.3204 GPRESSURE: 1361600 169.913 33.3378 -109.824 1.89186 -84.6074 173.883 -76.1346 -1.11159 36.057 PRESSAVG: 1361600 58.333 -12.5708 -41.5089 -12.5708 -7.39358 30.5149 -41.5089 30.515 -61.5043 GPRESSAVG: 1361600 58.5241 -13.2714 -42.3547 -12.4472 -6.84972 31.692 -38.718 30.3941 -61.6977 TIMING: 1361600 CPU: 4097.65, 0.00300799/step Wall: 4097.65, 0.00300799/step, 3.04007 hours remaining, 209.886719 MB of memory in use. ENERGY: 1361600 748.9439 2076.9851 1909.3047 117.0470 -206537.0053 17919.1376 0.0000 0.0000 34296.6927 -149468.8944 299.5215 -183765.5870 -149370.7671 298.5354 8.4174 40.4542 557388.7734 -3.5216 -3.3411 PRESSURE: 1361800 111.306 114.331 -183.853 114.329 -48.2228 -6.86678 -183.852 -6.86613 -111.515 GPRESSURE: 1361800 96.0193 95.4055 -95.5311 37.792 -6.55545 3.53187 -213.667 15.525 -51.1289 PRESSAVG: 1361800 33.8803 19.7976 -32.1116 19.7975 54.3384 20.629 -32.1117 20.629 -29.9969 GPRESSAVG: 1361800 35.2287 20.1392 -30.7024 18.8204 53.4465 18.9965 -35.4634 20.9098 -30.4979 TIMING: 1361800 CPU: 4098.26, 0.0030368/step Wall: 4098.26, 0.0030368/step, 3.06902 hours remaining, 209.886719 MB of memory in use. ENERGY: 1361800 734.2590 2077.1900 1925.7658 107.1453 -206124.8435 17730.3690 0.0000 0.0000 34166.0921 -149384.0223 298.3810 -183550.1144 -149286.4652 299.2202 -16.1439 12.7783 556984.0231 19.4073 19.3925 PRESSURE: 1362000 53.9295 -25.567 -39.4637 -25.5679 292.672 62.9954 -39.4639 62.9968 147.231 GPRESSURE: 1362000 69.2996 -53.586 -136.371 -3.18335 331.405 60.2102 47.3873 106.841 191.695 PRESSAVG: 1362000 108.717 31.4941 -61.3491 31.4939 -55.4774 -55.0133 -61.3491 -55.0133 -60.3429 GPRESSAVG: 1362000 108.014 31.7251 -61.0528 31.9658 -55.3496 -55.9356 -58.8362 -52.7944 -59.3381 TIMING: 1362000 CPU: 4098.86, 0.00302297/step Wall: 4098.86, 0.00302297/step, 3.05488 hours remaining, 209.886719 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: 1362000 751.6888 2086.5166 1928.2781 113.0250 -206430.7465 18072.2991 0.0000 0.0000 34186.0774 -149292.8614 298.5555 -183478.9389 -149194.9020 299.5100 164.6109 197.4666 556566.7160 -2.3679 -2.2246 PRESSURE: 1362200 48.8665 160.751 -52.2217 160.752 24.8855 -18.8707 -52.2215 -18.8704 229.423 GPRESSURE: 1362200 100.555 132.978 -154.781 81.5961 105.813 11.3706 22.1968 -26.3446 193.231 PRESSAVG: 1362200 67.5463 -17.4663 10.1021 -17.4663 43.9793 3.87803 10.1022 3.87807 -88.8763 GPRESSAVG: 1362200 68.064 -19.0842 8.9297 -16.6925 44.5935 3.99855 8.49163 2.57949 -89.7562 TIMING: 1362200 CPU: 4099.47, 0.00304185/step Wall: 4099.47, 0.00304185/step, 3.07379 hours remaining, 209.886719 MB of memory in use. ENERGY: 1362200 698.6336 2065.5597 1907.9830 106.9175 -206454.6695 17939.1762 0.0000 0.0000 34421.5730 -149314.8266 300.6122 -183736.3996 -149226.3573 299.8304 101.0585 133.1994 557642.3281 7.5497 7.6338 PRESSURE: 1362400 167.524 29.4487 19.1635 29.4492 -141.399 133.138 19.1619 133.138 -300.564 GPRESSURE: 1362400 151.754 29.7275 -26.9298 61.9886 -86.5003 155.153 30.7854 187.341 -234.547 PRESSAVG: 1362400 -103.948 51.9518 -14.9003 51.9518 89.3936 8.4588 -14.9004 8.45857 -10.0417 GPRESSAVG: 1362400 -104.511 53.6201 -15.9363 51.5321 88.89 8.9814 -13.96 5.55663 -9.33237 TIMING: 1362400 CPU: 4100.07, 0.00302914/step Wall: 4100.07, 0.00302914/step, 3.06077 hours remaining, 209.886719 MB of memory in use. ENERGY: 1362400 786.0919 2043.0921 1936.9570 123.6623 -206111.0425 17761.4248 0.0000 0.0000 34237.0748 -149222.7397 299.0009 -183459.8145 -149121.2391 299.5762 -91.4794 -56.4311 556626.8890 -8.1987 -8.3178 PRESSURE: 1362600 -323.203 28.1527 -5.95207 28.1524 145.092 160.747 -5.95104 160.748 168.673 GPRESSURE: 1362600 -245.13 52.9554 14.4947 -56.385 163.221 116.448 -32.5779 123.188 183.116 PRESSAVG: 1362600 43.9418 19.6849 -0.199829 19.685 -20.7972 -28.5472 -0.199917 -28.5472 50.6385 GPRESSAVG: 1362600 43.9936 18.9237 1.57785 21.4769 -20.3654 -28.345 -0.902005 -24.8382 50.5501 TIMING: 1362600 CPU: 4100.69, 0.00305524/step Wall: 4100.69, 0.00305524/step, 3.08699 hours remaining, 209.886719 MB of memory in use. ENERGY: 1362600 711.7147 2046.3001 1927.0359 101.5964 -206144.2789 17825.3907 0.0000 0.0000 34302.4748 -149229.7664 299.5720 -183532.2412 -149133.0528 299.4029 -3.1463 33.7356 555727.8154 24.5944 24.7261 PRESSURE: 1362800 200.082 31.8537 102.659 31.8537 -112.982 26.6083 102.658 26.6086 -158.309 GPRESSURE: 1362800 223.936 7.66743 153.606 24.6792 -119.554 -9.51297 98.2199 -16.3832 -82.9661 PRESSAVG: 1362800 -18.0363 12.3784 35.6799 12.3783 -26.4233 -6.72491 35.68 -6.7248 10.3015 GPRESSAVG: 1362800 -19.5662 13.2256 34.9923 10.5933 -25.769 -6.15305 35.7282 -6.49842 11.0894 TIMING: 1362800 CPU: 4101.29, 0.00303642/step Wall: 4101.29, 0.00303642/step, 3.0678 hours remaining, 209.886719 MB of memory in use. ENERGY: 1362800 760.0206 2078.6231 1952.8955 126.1308 -206061.3435 17732.9535 0.0000 0.0000 34322.4949 -149088.2250 299.7469 -183410.7199 -148996.3526 299.6887 -23.7363 7.1386 557023.4778 -11.3860 -11.4153 PRESSURE: 1363000 -166.389 107.016 -62.4128 107.016 -269.445 -30.7998 -62.4125 -30.7997 39.7549 GPRESSURE: 1363000 -114.349 14.8218 -77.6435 183.638 -257.884 -23.7144 -143.334 -31.4266 67.1722 PRESSAVG: 1363000 -6.42164 -33.4728 15.7044 -33.4728 -28.5356 -6.38512 15.7045 -6.38523 14.658 GPRESSAVG: 1363000 -5.10226 -33.3755 14.5413 -32.5924 -29.2255 -7.26276 14.9588 -7.99 13.7403 TIMING: 1363000 CPU: 4101.9, 0.00304044/step Wall: 4101.9, 0.00304044/step, 3.07169 hours remaining, 209.886719 MB of memory in use. ENERGY: 1363000 745.0107 2149.2899 1910.0601 102.3670 -206176.0734 17649.2271 0.0000 0.0000 34328.2430 -149291.8754 299.7971 -183620.1185 -149198.0537 299.0569 -132.0262 -101.6868 557280.5483 -6.7664 -6.8625 PRESSURE: 1363200 21.7325 -51.1089 177.79 -51.109 40.9822 171.071 177.791 171.07 -2.85426 GPRESSURE: 1363200 53.1591 40.1258 148.856 -15.7108 92.6004 229.76 222.461 148.89 6.53982 PRESSAVG: 1363200 55.5641 -24.3988 8.53686 -24.3988 16.9794 28.0209 8.53685 28.0208 -75.2054 GPRESSAVG: 1363200 56.3152 -24.634 9.53689 -24.5738 17.3573 28.7479 8.03251 28.2975 -76.0376 TIMING: 1363200 CPU: 4102.5, 0.00300928/step Wall: 4102.5, 0.00300928/step, 3.04004 hours remaining, 209.886719 MB of memory in use. ENERGY: 1363200 715.3643 2135.9359 1932.8911 128.8966 -206164.3710 17901.2487 0.0000 0.0000 34257.2273 -149092.8071 299.1769 -183350.0344 -148998.7431 299.1467 19.9535 50.7664 558512.7414 -0.8873 -0.7884 PRESSURE: 1363400 -31.0353 18.7974 16.5728 18.7986 203.435 -67.7075 16.5752 -67.7087 11.0179 GPRESSURE: 1363400 -44.0222 -47.6484 -5.86176 98.5313 217.339 10.7603 22.2108 -50.4174 109.644 PRESSAVG: 1363400 -33.5193 -15.0122 -3.72193 -15.0121 68.761 8.16687 -3.72197 8.16677 -19.6219 GPRESSAVG: 1363400 -33.3088 -15.1959 -3.99298 -14.2795 68.9696 10.4573 -2.56906 8.02926 -19.8689 TIMING: 1363400 CPU: 4103.11, 0.00304211/step Wall: 4103.11, 0.00304211/step, 3.07303 hours remaining, 209.886719 MB of memory in use. ENERGY: 1363400 756.6519 2067.8410 1937.2505 120.0416 -206074.1583 17773.9839 0.0000 0.0000 34321.5531 -149096.8365 299.7387 -183418.3895 -148989.4107 299.9240 61.1393 94.3205 556914.0627 5.2066 5.2640 PRESSURE: 1363600 71.0179 -16.4239 -12.0132 -16.4241 30.7903 -35.5272 -12.0127 -35.5275 -217.097 GPRESSURE: 1363600 98.6465 -47.2755 71.9171 -38.7089 88.2254 -20.6821 -34.6995 12.7706 -202.734 PRESSAVG: 1363600 -0.886155 -38.0796 -41.4548 -38.0797 49.4314 13.2564 -41.4548 13.2563 -21.2696 GPRESSAVG: 1363600 -1.59597 -37.9594 -40.3759 -39.7616 48.8816 10.2372 -40.4001 12.8267 -19.4161 TIMING: 1363600 CPU: 4103.72, 0.00304883/step Wall: 4103.72, 0.00304882/step, 3.07965 hours remaining, 209.886719 MB of memory in use. ENERGY: 1363600 751.8539 2127.3363 1962.6937 112.0186 -205828.2828 17563.6488 0.0000 0.0000 34155.9033 -149154.8282 298.2920 -183310.7315 -149055.1386 299.5551 -38.4295 -5.2873 558840.2843 9.0919 9.2898 PRESSURE: 1363800 -180.027 45.6684 25.0976 45.6682 -38.0077 -25.3944 25.0969 -25.3952 -419.862 GPRESSURE: 1363800 -177.793 71.0337 157.544 90.806 12.5666 48.1696 -36.3513 -45.6613 -375.494 PRESSAVG: 1363800 25.4256 -34.9553 13.3908 -34.9553 38.8262 -18.2959 13.3907 -18.2958 -33.8573 GPRESSAVG: 1363800 26.7275 -34.655 13.1361 -34.6031 37.6318 -17.9756 11.4924 -16.8319 -33.8131 TIMING: 1363800 CPU: 4104.33, 0.00304009/step Wall: 4104.33, 0.00304009/step, 3.07066 hours remaining, 209.886719 MB of memory in use. ENERGY: 1363800 750.7403 2104.4540 1956.9040 103.4828 -205875.2121 17492.4429 0.0000 0.0000 34321.7148 -149145.4732 299.7401 -183467.1880 -149045.6847 299.6240 -212.6325 -180.2401 557896.3434 10.1315 10.1821 PRESSURE: 1364000 -256.435 -73.358 105.53 -73.3564 -295.62 211.968 105.53 211.969 -154.512 GPRESSURE: 1364000 -293.341 -60.7835 90.0578 -160.041 -223.149 170.77 167.565 212.81 -96.0619 PRESSAVG: 1364000 -34.1701 0.888961 -21.9509 0.888892 67.267 18.0382 -21.9511 18.0383 -35.3888 GPRESSAVG: 1364000 -34.6616 -0.814191 -22.4141 2.33613 68.891 19.6785 -21.9382 16.5638 -36.5025 TIMING: 1364000 CPU: 4104.93, 0.00302313/step Wall: 4104.93, 0.00302313/step, 3.05336 hours remaining, 209.886719 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: 1364000 794.4337 2119.3524 1956.9240 122.0787 -206067.1963 17665.9076 0.0000 0.0000 34292.6278 -149115.8721 299.4860 -183408.4999 -149015.6381 299.4744 -235.5224 -204.1840 558243.0764 -0.7639 -0.7577 PRESSURE: 1364200 289.033 106.004 -37.4677 106.004 319.432 29.0815 -37.4677 29.0832 201.755 GPRESSURE: 1364200 309.904 210.215 -44.5964 110.279 315.679 54.159 -66.0258 76.485 285.463 PRESSAVG: 1364200 -1.79399 -9.33935 24.7028 -9.3394 73.2515 42.7097 24.7028 42.7098 -57.1069 GPRESSAVG: 1364200 -2.95345 -7.92587 22.586 -11.4955 72.7933 41.9023 27.3116 43.1963 -55.5719 TIMING: 1364200 CPU: 4105.54, 0.00302835/step Wall: 4105.54, 0.00302835/step, 3.05846 hours remaining, 209.886719 MB of memory in use. ENERGY: 1364200 728.0190 2134.7676 1959.2587 113.1037 -206551.7933 18229.6679 0.0000 0.0000 34313.5469 -149073.4295 299.6687 -183386.9764 -148978.7232 299.8868 270.0735 303.6820 557585.8044 4.7835 4.7560 LDB: ============= START OF LOAD BALANCING ============== 4109.06 LDB: ============== END OF LOAD BALANCING =============== 4109.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4109.06 LDB: ============= START OF LOAD BALANCING ============== 4109.36 LDB: Largest compute 4800 load 0.029314 is 24.9% of average load 0.117906 LDB: Average compute 0.001737 is 1.5% of average load 0.117906 LDB: TIME 4109.36 LOAD: AVG 0.117906 MAX 0.217098 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.77 MB LDB: TIME 4109.36 LOAD: AVG 0.117906 MAX 0.217098 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.77 MB LDB: TIME 4109.36 LOAD: AVG 0.117906 MAX 0.217098 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.77 MB LDB: ============== END OF LOAD BALANCING =============== 4109.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4109.37 PRESSURE: 1364400 -157.136 -26.7262 -6.32935 -26.7254 -79.0215 -19.3761 -6.32939 -19.3776 -168.321 GPRESSURE: 1364400 -112.593 7.08293 75.5362 -23.8849 -91.7435 -75.1514 41.8895 57.3673 -114.766 PRESSAVG: 1364400 -54.3286 11.3959 -21.9895 11.396 103.516 30.4505 -21.9895 30.4505 -14.6508 GPRESSAVG: 1364400 -52.9311 10.9243 -18.0393 13.6213 103.779 28.3923 -25.0154 32.0164 -16.0944 TIMING: 1364400 CPU: 4106.15, 0.00307742/step Wall: 4106.15, 0.00307742/step, 3.10786 hours remaining, 207.042969 MB of memory in use. ENERGY: 1364400 742.7805 2072.1265 1932.7609 104.8841 -206250.5171 17811.4436 0.0000 0.0000 34249.0574 -149337.4640 299.1055 -183586.5214 -149240.0596 299.8262 -134.8262 -106.3676 559565.9478 11.5122 11.5844 PRESSURE: 1364600 282.721 -133.588 -89.3804 -133.588 41.0246 13.334 -89.3816 13.3353 152.738 GPRESSURE: 1364600 282.641 -108.172 -212.013 -190.976 133.567 36.3481 -76.7736 20.7414 152.88 PRESSAVG: 1364600 74.2472 7.93686 -14.2759 7.93689 62.6884 48.7445 -14.276 48.7445 -70.2153 GPRESSAVG: 1364600 74.1057 7.51692 -15.432 7.63394 62.8032 51.4762 -13.098 45.9253 -70.2003 TIMING: 1364600 CPU: 4106.76, 0.00302193/step Wall: 4106.76, 0.00302193/step, 3.05164 hours remaining, 207.503906 MB of memory in use. ENERGY: 1364600 723.7545 2137.5108 1944.4665 110.9137 -206806.4019 18010.5941 0.0000 0.0000 34470.2844 -149408.8780 301.0376 -183879.1623 -149308.0047 298.7306 158.8278 189.6958 555802.7708 22.2401 22.2362 PRESSURE: 1364800 80.6422 -17.7841 -245.922 -17.7843 37.1878 162.232 -245.921 162.232 -229.811 GPRESSURE: 1364800 41.1426 -48.1616 -211.63 -54.1663 128.035 176.57 -192.571 233.866 -181.931 PRESSAVG: 1364800 -8.22493 -37.3714 -47.015 -37.3713 66.989 -4.58994 -47.015 -4.58993 -64.5178 GPRESSAVG: 1364800 -9.26409 -37.7113 -48.4827 -36.7756 68.9022 -5.98493 -46.1084 -3.69336 -65.109 TIMING: 1364800 CPU: 4107.36, 0.00300984/step Wall: 4107.36, 0.00300984/step, 3.03927 hours remaining, 207.503906 MB of memory in use. ENERGY: 1364800 751.2828 2132.0734 1948.4334 103.5583 -206168.4975 17685.2503 0.0000 0.0000 34189.4978 -149358.4014 298.5854 -183547.8993 -149259.4931 298.3819 -37.3269 -4.2511 557365.8467 -1.9179 -1.8236 PRESSURE: 1365000 -209.082 -32.7825 128.237 -32.7812 -51.8714 16.6106 128.238 16.6122 23.5154 GPRESSURE: 1365000 -155.49 3.01164 42.7187 -54.4455 -52.6657 23.3121 24.6158 40.9887 61.6495 PRESSAVG: 1365000 -17.9381 -1.33704 -9.81984 -1.33703 59.7738 14.4291 -9.81984 14.4291 -38.5073 GPRESSAVG: 1365000 -16.7309 -0.2181 -9.07945 -4.20014 58.8883 15.7059 -11.2197 14.9165 -38.8721 TIMING: 1365000 CPU: 4107.96, 0.003016/step Wall: 4107.96, 0.003016/step, 3.04532 hours remaining, 207.503906 MB of memory in use. ENERGY: 1365000 741.5369 2159.7853 1936.9025 105.5691 -205950.1280 17593.2472 0.0000 0.0000 34307.9170 -149105.1700 299.6196 -183413.0870 -149009.3207 299.0657 -79.1459 -48.8353 557332.6748 1.1094 1.0951 PRESSURE: 1365200 -52.7389 130.729 -9.54149 130.729 293.286 -69.7952 -9.54249 -69.7941 2.82936 GPRESSURE: 1365200 -14.4799 150.482 -58.2387 87.626 355.398 -101.666 40.2735 -59.2712 -8.83486 PRESSAVG: 1365200 -4.21508 35.6602 3.42461 35.6602 -7.23278 -49.2308 3.4245 -49.2306 6.86739 GPRESSAVG: 1365200 -4.20797 35.9493 6.19028 36.5556 -8.31024 -50.9456 2.62045 -47.6406 7.97582 TIMING: 1365200 CPU: 4108.56, 0.00299376/step Wall: 4108.56, 0.00299376/step, 3.0227 hours remaining, 207.574219 MB of memory in use. ENERGY: 1365200 755.3166 2064.3335 1933.9721 104.2595 -206033.2580 17874.0191 0.0000 0.0000 34148.0396 -149153.3176 298.2233 -183301.3572 -149053.9993 300.0716 81.1255 110.6944 556572.9641 -1.5268 -1.5141 PRESSURE: 1365400 156.639 -42.5332 12.6711 -42.5332 -130.446 44.0465 12.6711 44.0471 -16.1232 GPRESSURE: 1365400 158.077 -87.8852 81.1239 -91.2427 -72.6739 43.9373 75.3938 79.2062 26.2185 PRESSAVG: 1365400 -36.4724 -7.92316 -25.8075 -7.92312 30.969 5.289 -25.8075 5.28891 21.1347 GPRESSAVG: 1365400 -35.9076 -10.9355 -27.7667 -6.12628 31.4596 5.69371 -23.27 4.93084 20.75 TIMING: 1365400 CPU: 4109.17, 0.00301213/step Wall: 4109.17, 0.00301213/step, 3.04108 hours remaining, 207.574219 MB of memory in use. ENERGY: 1365400 718.8930 2031.4011 1923.7268 97.3408 -205856.6769 17609.9236 0.0000 0.0000 34313.3389 -149162.0529 299.6669 -183475.3918 -149064.2849 299.7927 3.3566 37.2073 556360.5119 5.2104 5.4340 PRESSURE: 1365600 6.28977 -14.5437 149.743 -14.5435 22.0765 51.2799 149.743 51.2812 312.068 GPRESSURE: 1365600 30.8009 29.6452 125.434 5.37848 37.1444 175.487 127.359 -20.6713 367.995 PRESSAVG: 1365600 32.6559 43.0551 8.87537 43.0551 -36.6199 21.0752 8.87526 21.0752 -49.407 GPRESSAVG: 1365600 32.1767 44.9296 9.17734 42.6689 -36.023 22.7401 7.7083 20.4637 -49.0969 TIMING: 1365600 CPU: 4109.77, 0.00300764/step Wall: 4109.77, 0.00300764/step, 3.03638 hours remaining, 207.574219 MB of memory in use. ENERGY: 1365600 716.4097 2075.2539 1906.1047 111.8425 -206104.0142 17836.5458 0.0000 0.0000 34377.0584 -149080.7992 300.2234 -183457.8576 -148988.4560 299.4961 113.4782 145.3133 556602.1056 -17.7903 -17.6477 PRESSURE: 1365800 -105.193 54.1206 111.428 54.121 180.624 65.0519 111.427 65.052 75.954 GPRESSURE: 1365800 -77.5561 -9.74619 104.501 61.6079 153.954 35.9862 25.8829 137.043 171.979 PRESSAVG: 1365800 -50.9363 -16.9635 -22.4887 -16.9635 -6.47719 -9.50996 -22.4888 -9.50997 42.2588 GPRESSAVG: 1365800 -50.7713 -14.4446 -22.2444 -17.0424 -6.55883 -12.1182 -22.5448 -9.06247 42.5138 TIMING: 1365800 CPU: 4110.37, 0.00302292/step Wall: 4110.37, 0.00302292/step, 3.05164 hours remaining, 207.574219 MB of memory in use. ENERGY: 1365800 692.4666 2105.5724 1928.6167 120.5447 -206080.1685 17818.5729 0.0000 0.0000 34337.1468 -149077.2485 299.8748 -183414.3953 -148984.2958 299.9638 50.4617 82.7923 558212.0168 -5.0515 -4.9388 PRESSURE: 1366000 93.828 -295.792 -85.0545 -295.791 234.286 51.9817 -85.0552 51.9824 56.5997 GPRESSURE: 1366000 135.989 -328.506 -202.427 -275.102 241.203 87.9661 -73.3596 54.9017 104.005 PRESSAVG: 1366000 -74.8094 -23.7199 10.0804 -23.72 71.8312 81.4594 10.0805 81.4593 -2.5149 GPRESSAVG: 1366000 -74.8256 -24.6912 9.50685 -24.8239 72.4342 84.6816 10.9721 79.3827 -3.13177 TIMING: 1366000 CPU: 4110.97, 0.00301129/step Wall: 4110.97, 0.00301129/step, 3.03973 hours remaining, 207.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1366000 738.5314 2018.4696 1964.2201 109.7964 -206026.4719 17860.3798 0.0000 0.0000 34273.6387 -149061.4359 299.3202 -183335.0746 -148959.7998 298.4506 128.2379 160.3989 557050.4587 -1.8310 -1.8411 PRESSURE: 1366200 -322.406 25.1401 -10.1732 25.1384 -337.745 -114.641 -10.1727 -114.64 -77.1184 GPRESSURE: 1366200 -273.326 3.03098 57.5067 95.0156 -281.601 -153.33 -67.2859 -111.351 -94.8716 PRESSAVG: 1366200 -82.6981 -34.9081 31.0896 -34.908 55.4097 41.4241 31.0896 41.4241 11.9686 GPRESSAVG: 1366200 -83.4843 -36.8177 31.0845 -33.6002 55.5686 40.5841 29.8262 41.0504 12.0818 TIMING: 1366200 CPU: 4111.58, 0.00303987/step Wall: 4111.58, 0.00303987/step, 3.06841 hours remaining, 207.777344 MB of memory in use. ENERGY: 1366200 751.4410 2033.5395 1941.8168 111.0347 -205398.9434 17368.6016 0.0000 0.0000 34140.5826 -149051.9272 298.1582 -183192.5098 -148958.6517 299.3225 -245.7565 -216.5995 558634.8163 -5.1066 -5.2780 PRESSURE: 1366400 278.334 -121.239 -75.8176 -121.24 34.9351 -82.5472 -75.8186 -82.5481 -59.5508 GPRESSURE: 1366400 338.679 -27.1376 -47.5216 -203.26 32.9292 -107.727 -19.53 -103.817 -23.3333 PRESSAVG: 1366400 -10.4784 -25.7834 -12.7194 -25.7834 -5.70493 59.8209 -12.7194 59.821 12.0965 GPRESSAVG: 1366400 -9.42992 -22.7469 -11.8309 -26.9975 -7.15288 59.4653 -11.6673 62.3702 12.1057 TIMING: 1366400 CPU: 4112.19, 0.00303296/step Wall: 4112.19, 0.00303296/step, 3.06127 hours remaining, 207.777344 MB of memory in use. ENERGY: 1366400 774.1028 2066.2590 1930.1914 113.8984 -206533.9197 18112.9716 0.0000 0.0000 34519.4361 -149017.0603 301.4668 -183536.4965 -148912.2002 299.9596 84.5726 116.0915 557329.6134 -1.3623 -1.4924 PRESSURE: 1366600 -101.158 -3.77411 45.2369 -3.77408 -234.645 205.622 45.2372 205.621 -54.3154 GPRESSURE: 1366600 -26.2315 16.4852 36.9407 71.2043 -219.961 255.828 -21.6611 188.584 -50.1889 PRESSAVG: 1366600 -45.9871 -25.6691 -52.8863 -25.669 -37.5243 1.56325 -52.8862 1.56319 71.5818 GPRESSAVG: 1366600 -47.2849 -26.9009 -54.9926 -26.0739 -36.2355 -1.11324 -51.4136 2.84562 71.5373 TIMING: 1366600 CPU: 4112.79, 0.00302659/step Wall: 4112.79, 0.00302659/step, 3.05467 hours remaining, 207.777344 MB of memory in use. ENERGY: 1366600 727.6511 2087.3630 1887.7415 110.5725 -205822.1463 17712.4747 0.0000 0.0000 34360.7698 -148935.5737 300.0811 -183296.3435 -148835.2056 300.2240 -130.0396 -98.7939 559799.1346 -3.9765 -3.9944 PRESSURE: 1366800 -201.847 51.5122 49.9076 51.5116 -56.2524 46.8421 49.9077 46.8405 34.7616 GPRESSURE: 1366800 -198.672 167.65 0.970659 26.6362 -64.3501 57.9068 66.2342 56.9223 135.8 PRESSAVG: 1366800 2.16095 61.6264 33.5393 61.6263 -24.4709 21.3877 33.5392 21.3877 15.8742 GPRESSAVG: 1366800 1.71314 58.8425 32.8052 61.9386 -24.6888 23.258 33.7715 18.9484 16.7822 TIMING: 1366800 CPU: 4113.4, 0.00300815/step Wall: 4113.4, 0.00300815/step, 3.03589 hours remaining, 207.777344 MB of memory in use. ENERGY: 1366800 714.6679 2114.2245 1917.6243 103.3884 -205722.2552 17648.7003 0.0000 0.0000 34025.6192 -149198.0305 297.1542 -183223.6497 -149105.6796 299.3664 -74.4460 -42.4074 558729.9294 -2.1452 -2.0645 PRESSURE: 1367000 -99.0908 69.0911 70.512 69.0921 41.8673 -50.2194 70.5117 -50.2197 -153.164 GPRESSURE: 1367000 -59.7411 32.11 -8.52103 61.4419 64.8325 18.2173 92.2741 -87.8002 -118.888 PRESSAVG: 1367000 -40.9539 43.6517 48.0218 43.6517 8.99426 -70.2817 48.0218 -70.2817 76.0941 GPRESSAVG: 1367000 -41.3846 45.6327 50.3333 44.0142 8.17877 -71.473 46.1605 -68.4717 77.1252 TIMING: 1367000 CPU: 4114, 0.00302453/step Wall: 4114, 0.00302453/step, 3.05225 hours remaining, 207.777344 MB of memory in use. ENERGY: 1367000 733.1212 2044.6994 1946.0849 129.0469 -205364.4706 17503.9170 0.0000 0.0000 34051.4152 -148956.1860 297.3795 -183007.6012 -148858.1337 299.9434 -70.1291 -37.9323 558850.5566 14.7115 14.6398 PRESSURE: 1367200 -136.98 68.5314 -6.83225 68.5316 119.857 -48.7316 -6.8322 -48.7316 25.2064 GPRESSURE: 1367200 -45.1155 76.5811 -17.2432 97.473 110.236 -111.1 29.3418 -55.9524 38.0124 PRESSAVG: 1367200 -19.1936 -27.9861 -0.975398 -27.9861 -29.1023 -16.7277 -0.975355 -16.7278 39.4754 GPRESSAVG: 1367200 -18.1474 -28.8593 -0.451031 -27.9602 -27.7621 -16.369 -0.144664 -17.9527 37.2468 TIMING: 1367200 CPU: 4114.61, 0.0030265/step Wall: 4114.61, 0.0030265/step, 3.05408 hours remaining, 207.777344 MB of memory in use. ENERGY: 1367200 783.2331 2089.7299 1918.5623 108.5045 -205944.7249 17788.8056 0.0000 0.0000 34420.2007 -148835.6889 300.6002 -183255.8896 -148739.5221 300.2826 2.6942 34.3776 557750.1077 -2.9402 -2.8876 PRESSURE: 1367400 -76.5997 83.8114 182.212 83.8126 146.064 -121.768 182.212 -121.767 -131.286 GPRESSURE: 1367400 -57.6973 43.5496 129.132 21.8355 221.378 -120.748 209.211 -3.1043 -128.446 PRESSAVG: 1367400 1.94143 -26.9947 45.4893 -26.9947 -7.94279 0.563053 45.4893 0.563121 55.966 GPRESSAVG: 1367400 1.58346 -25.54 42.7618 -29.2307 -7.80001 0.192698 44.8998 2.62436 56.8067 TIMING: 1367400 CPU: 4115.22, 0.00307853/step Wall: 4115.22, 0.00307853/step, 3.1064 hours remaining, 207.777344 MB of memory in use. ENERGY: 1367400 721.6422 2054.9729 1942.6543 112.1780 -205979.6521 17754.9898 0.0000 0.0000 34347.1378 -149046.0770 299.9621 -183393.2148 -148946.9996 299.7276 -20.6071 11.7451 557880.1571 16.6549 16.8634 PRESSURE: 1367600 115.886 72.0434 -129.117 72.0437 34.8803 -60.3657 -129.117 -60.3659 164.981 GPRESSURE: 1367600 99.1436 17.4991 -136.888 61.4375 117.224 -14.4022 -105.191 -153.258 186.843 PRESSAVG: 1367600 -67.8679 23.1336 22.9473 23.1337 69.2646 21.7244 22.9473 21.7243 -14.6896 GPRESSAVG: 1367600 -67.7565 22.1917 24.9817 25.5093 69.4387 21.306 22.8756 20.5172 -14.9637 TIMING: 1367600 CPU: 4115.84, 0.00307422/step Wall: 4115.84, 0.00307422/step, 3.10189 hours remaining, 207.777344 MB of memory in use. ENERGY: 1367600 738.0570 2035.6437 1925.8259 110.0773 -206192.8160 18002.4856 0.0000 0.0000 34339.9623 -149040.7642 299.8994 -183380.7265 -148942.3391 299.6478 105.2491 134.4034 557138.1564 -4.4310 -4.4271 PRESSURE: 1367800 140.073 88.2957 11.7832 88.2956 81.0588 17.6762 11.7838 17.6761 -6.53765 GPRESSURE: 1367800 140.895 175.94 20.5671 46.3655 119.383 28.7907 -22.3183 -8.00601 33.9447 PRESSAVG: 1367800 -17.8613 -8.1937 1.9891 -8.19358 27.5074 -11.1502 1.98915 -11.1503 17.4503 GPRESSAVG: 1367800 -18.7886 -9.52482 2.4562 -7.27018 27.4221 -9.76034 1.09711 -12.4032 18.1963 TIMING: 1367800 CPU: 4116.45, 0.00304861/step Wall: 4116.45, 0.0030486/step, 3.07587 hours remaining, 207.777344 MB of memory in use. ENERGY: 1367800 711.0962 2063.0722 1918.2124 106.7735 -206384.5946 17884.5100 0.0000 0.0000 34313.6084 -149387.3218 299.6693 -183700.9303 -149290.7399 299.0069 71.5314 98.0742 556996.6472 9.0321 8.9433 PRESSURE: 1368000 13.8776 126.816 47.0295 126.817 68.5118 -110.75 47.0293 -110.752 59.6701 GPRESSURE: 1368000 117.457 117.196 105.744 79.4323 96.6067 -49.0593 72.22 -137.994 23.4568 PRESSAVG: 1368000 -7.13515 29.2151 6.90531 29.2152 -12.1419 61.8419 6.9053 61.842 39.3187 GPRESSAVG: 1368000 -5.6944 30.0916 5.45906 28.2761 -11.9442 62.0289 7.47711 64.3752 37.5006 TIMING: 1368000 CPU: 4117.05, 0.00303794/step Wall: 4117.05, 0.00303794/step, 3.06495 hours remaining, 207.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1368000 714.9220 2010.6682 1930.0874 100.8979 -206459.5802 17933.6881 0.0000 0.0000 34323.8511 -149445.4654 299.7587 -183769.3165 -149349.8759 298.6852 47.3532 79.1734 559095.6220 6.6806 6.6207 PRESSURE: 1368200 -143.08 152.227 14.0963 152.227 18.3115 39.1939 14.0968 39.1931 99.2469 GPRESSURE: 1368200 -141.415 236.12 33.5718 165.092 64.552 20.529 -49.3961 61.3061 153.007 PRESSAVG: 1368200 -67.2026 69.767 -2.35125 69.7671 40.5699 58.5325 -2.35133 58.5326 -12.0722 GPRESSAVG: 1368200 -67.3719 69.7057 -1.99686 68.4994 40.5915 59.5274 -2.93488 57.325 -11.4116 TIMING: 1368200 CPU: 4117.66, 0.00302987/step Wall: 4117.66, 0.00302987/step, 3.05663 hours remaining, 207.777344 MB of memory in use. ENERGY: 1368200 738.6732 2036.1026 1930.6301 114.5677 -206129.3734 17788.9276 0.0000 0.0000 34048.4772 -149471.9950 297.3538 -183520.4722 -149375.4682 297.4338 -8.5072 25.3811 559086.3526 -12.9017 -12.7307 LDB: ============= START OF LOAD BALANCING ============== 4121.18 LDB: ============== END OF LOAD BALANCING =============== 4121.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4121.18 LDB: ============= START OF LOAD BALANCING ============== 4121.48 LDB: Largest compute 4800 load 0.028894 is 24.5% of average load 0.117912 LDB: Average compute 0.001734 is 1.5% of average load 0.117912 LDB: TIME 4121.48 LOAD: AVG 0.117912 MAX 0.216246 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.758 MB LDB: TIME 4121.48 LOAD: AVG 0.117912 MAX 0.216246 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.004 MB LDB: TIME 4121.48 LOAD: AVG 0.117912 MAX 0.216246 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.004 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4121.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4121.49 PRESSURE: 1368400 -238.379 -6.92863 56.8094 -6.92789 3.6303 -0.378166 56.809 -0.378283 -42.5259 GPRESSURE: 1368400 -140.999 -78.4325 27.5357 23.0074 35.238 -28.7342 52.849 21.1987 -67.9315 PRESSAVG: 1368400 -44.7531 37.004 18.3504 37.004 49.1329 53.0501 18.3503 53.0499 6.69146 GPRESSAVG: 1368400 -43.6069 39.2737 18.2686 36.6154 48.2235 52.2626 18.7996 54.3189 6.52081 TIMING: 1368400 CPU: 4118.27, 0.00307237/step Wall: 4118.27, 0.00307237/step, 3.09934 hours remaining, 209.750000 MB of memory in use. ENERGY: 1368400 747.1373 2059.9270 1909.1770 108.3464 -206082.6575 17671.2173 0.0000 0.0000 34049.9447 -149536.9079 297.3666 -183586.8526 -149440.8055 297.6533 -92.4248 -57.8974 558411.4112 3.6904 3.7125 PRESSURE: 1368600 299.074 103.024 57.425 103.026 -222.974 100.128 57.4251 100.127 -125.484 GPRESSURE: 1368600 311.095 85.9876 97.9565 109.645 -180.14 66.4195 -16.4912 81.9331 -75.7302 PRESSAVG: 1368600 -0.137857 51.5668 -29.3201 51.5668 -25.8212 -12.9402 -29.3202 -12.9402 30.6535 GPRESSAVG: 1368600 -0.793892 49.4312 -29.8593 53.8266 -24.7844 -14.0578 -28.6014 -14.3468 30.597 TIMING: 1368600 CPU: 4118.88, 0.00304464/step Wall: 4118.88, 0.00304464/step, 3.0712 hours remaining, 209.750000 MB of memory in use. ENERGY: 1368600 762.0497 2002.4845 1928.6242 97.4999 -206850.9309 18106.4074 0.0000 0.0000 34229.9518 -149723.9134 298.9387 -183953.8652 -149620.6960 297.7623 -16.4613 18.4085 557701.0606 1.5648 1.6729 PRESSURE: 1368800 -45.9016 167.677 40.1898 167.677 35.3081 264.162 40.1896 264.162 4.72758 GPRESSURE: 1368800 8.01602 180.082 76.4189 159.828 17.4492 253.31 -76.1068 234.675 55.2536 PRESSAVG: 1368800 -52.3297 35.0503 -36.4964 35.0504 61.4712 -36.3148 -36.4964 -36.3149 6.39634 GPRESSAVG: 1368800 -51.6794 36.3795 -35.5304 33.6758 60.5309 -36.1831 -37.5745 -37.7734 7.0329 TIMING: 1368800 CPU: 4119.48, 0.0029955/step Wall: 4119.48, 0.0029955/step, 3.02147 hours remaining, 209.750000 MB of memory in use. ENERGY: 1368800 703.8750 2042.9458 1944.2399 125.1543 -206536.6419 17743.0679 0.0000 0.0000 34105.2596 -149872.0994 297.8497 -183977.3590 -149774.5144 297.3738 -1.9553 26.9062 557121.5780 5.1793 5.2948 PRESSURE: 1369000 234.322 -151.779 56.9609 -151.777 67.3037 -100.569 56.9599 -100.568 42.849 GPRESSURE: 1369000 324.274 -64.0981 64.6408 -141.648 88.5239 -87.5913 83.1345 -128.304 36.388 PRESSAVG: 1369000 26.0654 22.4214 12.5788 22.4214 13.4715 4.86287 12.5788 4.86282 -39.6805 GPRESSAVG: 1369000 25.39 20.5868 13.3901 23.8606 14.2897 5.63081 13.9016 6.56859 -39.3416 TIMING: 1369000 CPU: 4120.09, 0.00302765/step Wall: 4120.09, 0.00302765/step, 3.05372 hours remaining, 209.750000 MB of memory in use. ENERGY: 1369000 768.4683 2011.6495 1931.5230 127.6972 -206814.9767 18142.2934 0.0000 0.0000 34034.1569 -149799.1885 297.2288 -183833.3454 -149699.1508 297.2754 114.8248 149.7287 556258.6843 -0.0479 0.1127 PRESSURE: 1369200 123.729 -74.6339 -12.1889 -74.634 82.4703 133.647 -12.1881 133.647 -449.422 GPRESSURE: 1369200 148.846 -25.8621 -46.8883 -22.2496 94.7899 78.9211 -44.2994 119.145 -402.234 PRESSAVG: 1369200 22.216 44.7874 35.3448 44.7875 -7.14743 8.2887 35.3448 8.28879 -57.9873 GPRESSAVG: 1369200 22.6572 46.2084 34.2302 44.3525 -8.00162 7.38061 34.7848 8.01623 -57.9047 TIMING: 1369200 CPU: 4120.69, 0.0030192/step Wall: 4120.69, 0.0030192/step, 3.04503 hours remaining, 209.750000 MB of memory in use. ENERGY: 1369200 716.6228 2057.4768 1924.8024 112.6274 -206168.6767 17793.7681 0.0000 0.0000 33708.1164 -149855.2628 294.3814 -183563.3792 -149752.7899 297.4456 -81.0741 -52.8661 557316.6605 -14.3062 -14.4164 PRESSURE: 1369400 125.236 53.9471 -13.5483 53.9466 -257.91 82.8585 -13.5482 82.859 15.9494 GPRESSURE: 1369400 134.286 88.3157 -83.7485 45.405 -197.057 203.871 -39.369 39.7165 48.1233 PRESSAVG: 1369400 2.41494 -9.08297 -17.3236 -9.08299 16.7214 48.8692 -17.3236 48.8693 6.85066 GPRESSAVG: 1369400 2.96452 -9.60856 -16.3772 -9.38268 17.7839 49.5766 -16.8894 49.3498 5.80297 TIMING: 1369400 CPU: 4121.3, 0.00302614/step Wall: 4121.3, 0.00302614/step, 3.05186 hours remaining, 209.750000 MB of memory in use. ENERGY: 1369400 718.5874 2115.3859 1934.2617 111.0004 -206739.2277 17823.5586 0.0000 0.0000 34151.2194 -149885.2143 298.2511 -184036.4337 -149786.6465 296.7962 -38.9080 -4.8824 556650.1413 8.6623 8.8505 PRESSURE: 1369600 -57.642 93.4524 -81.4958 93.4543 -110.632 -45.2413 -81.4971 -45.2414 -12.6149 GPRESSURE: 1369600 -16.594 173.175 -79.9809 39.2144 -60.8549 -22.1294 -79.3925 -63.4026 2.23185 PRESSAVG: 1369600 44.9441 -37.9522 -9.39936 -37.9522 -0.734891 22.1856 -9.39934 22.1857 -12.853 GPRESSAVG: 1369600 43.4597 -40.1614 -11.0767 -36.9053 -0.0296631 22.4202 -9.11754 20.8324 -11.8228 TIMING: 1369600 CPU: 4121.9, 0.00301758/step Wall: 4121.9, 0.00301758/step, 3.04306 hours remaining, 209.750000 MB of memory in use. ENERGY: 1369600 741.8463 2070.0444 1907.0992 129.2590 -206709.5030 17900.3543 0.0000 0.0000 34027.9350 -149932.9648 297.1744 -183960.8998 -149833.6673 297.6419 -60.2963 -25.0723 557824.4831 10.4521 10.5357 PRESSURE: 1369800 -402.685 -22.1997 5.08878 -22.2022 -316.151 -202.942 5.08835 -202.943 -323.642 GPRESSURE: 1369800 -368.591 66.5673 -28.4126 -12.531 -326.504 -202.253 101.735 -246.067 -254.169 PRESSAVG: 1369800 32.4606 -30.7115 57.8078 -30.7114 0.77111 14.2224 57.8077 14.2225 -19.4649 GPRESSAVG: 1369800 33.6623 -29.6327 58.3985 -30.3861 -0.508972 12.7056 58.5417 13.9165 -19.5686 TIMING: 1369800 CPU: 4122.5, 0.00298405/step Wall: 4122.5, 0.00298405/step, 3.00908 hours remaining, 209.750000 MB of memory in use. ENERGY: 1369800 724.9928 2099.9733 1955.3519 108.2509 -205985.9779 17212.3076 0.0000 0.0000 33959.1569 -149925.9444 296.5738 -183885.1014 -149825.3652 297.3263 -347.4926 -316.4210 559633.5707 4.5889 4.5283 PRESSURE: 1370000 76.7324 41.2759 127.333 41.2755 184.341 0.602214 127.333 0.603088 -0.200537 GPRESSURE: 1370000 128.187 23.9578 105.139 -25.9728 226.449 -12.2866 135.493 -6.52171 3.92126 PRESSAVG: 1370000 61.6586 -54.4449 19.097 -54.445 -9.71589 1.88669 19.0971 1.88668 -46.7114 GPRESSAVG: 1370000 61.9339 -54.0219 20.5256 -57.3784 -10.0661 6.19157 17.1603 -0.604309 -46.8526 TIMING: 1370000 CPU: 4123.1, 0.00300859/step Wall: 4123.1, 0.00300859/step, 3.03366 hours remaining, 209.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1370000 731.9730 2130.9437 1910.8382 94.6187 -206910.8575 17964.9836 0.0000 0.0000 34047.3883 -150030.1119 297.3443 -184077.5003 -149939.9890 296.5739 86.9577 119.5188 555915.5564 1.7438 1.6717 PRESSURE: 1370200 303.766 -7.66447 121.595 -7.66512 -49.4429 60.2469 121.595 60.2471 -131.149 GPRESSURE: 1370200 300.876 44.9347 111.45 -79.784 -48.2857 76.2728 118.984 65.3049 -36.9392 PRESSAVG: 1370200 50.2027 -62.0104 53.9078 -62.0103 42.6162 -32.3846 53.9077 -32.3846 -97.1663 GPRESSAVG: 1370200 49.8511 -61.9975 52.2472 -60.0054 43.1562 -36.7276 54.3272 -29.8804 -97.4159 TIMING: 1370200 CPU: 4123.71, 0.00306467/step Wall: 4123.71, 0.00306467/step, 3.09004 hours remaining, 209.750000 MB of memory in use. ENERGY: 1370200 716.3388 2071.5738 1931.2468 106.0984 -206928.6426 18033.0674 0.0000 0.0000 34009.5604 -150060.7570 297.0139 -184070.3174 -149957.6461 296.9322 41.0581 71.8837 557178.5580 -1.4491 -1.4695 PRESSURE: 1370400 98.2766 -276.539 -310.308 -276.539 -125.379 149.993 -310.308 149.993 -102.921 GPRESSURE: 1370400 152.346 -266.934 -298.67 -337.718 -114.856 180.463 -278.602 116.06 -67.5583 PRESSAVG: 1370400 -9.94917 -17.336 -91.8265 -17.3361 -7.20223 18.2921 -91.8264 18.292 10.6802 GPRESSAVG: 1370400 -9.47379 -14.9681 -91.2209 -18.6132 -7.31705 18.9527 -90.7592 17.5015 10.8623 TIMING: 1370400 CPU: 4124.32, 0.00304687/step Wall: 4124.32, 0.00304687/step, 3.07193 hours remaining, 209.750000 MB of memory in use. ENERGY: 1370400 720.2166 2070.9364 1912.4170 111.7551 -206584.8783 17833.2665 0.0000 0.0000 34026.7449 -149909.5417 297.1640 -183936.2866 -149808.1506 296.7198 -43.3412 -10.0228 557061.0234 -2.1571 -1.9762 PRESSURE: 1370600 -82.7447 -60.4726 -9.83959 -60.4727 -166.626 -167.486 -9.83877 -167.485 85.7737 GPRESSURE: 1370600 -18.0171 -61.3793 -35.0471 -54.956 -136.993 -202.733 19.3802 -94.795 83.6622 PRESSAVG: 1370600 50.5081 -13.2669 -77.7447 -13.267 28.6321 8.79592 -77.7448 8.79594 -68.049 GPRESSAVG: 1370600 49.9714 -15.2823 -79.1225 -11.9405 28.399 8.63013 -76.2579 9.32786 -67.609 TIMING: 1370600 CPU: 4124.93, 0.00304486/step Wall: 4124.93, 0.00304486/step, 3.06972 hours remaining, 209.750000 MB of memory in use. ENERGY: 1370600 726.4705 2062.9877 1902.3840 113.1680 -206785.8945 17970.5926 0.0000 0.0000 33997.1459 -150013.1459 296.9055 -184010.2918 -149918.9908 297.4867 -54.5324 -23.7827 557502.3642 3.6971 3.5871 PRESSURE: 1370800 176.501 -117.734 151.515 -117.732 59.0993 -26.1975 151.516 -26.1973 144.894 GPRESSURE: 1370800 211.299 -88.829 151.913 -109.537 125.656 50.6957 189.824 -9.75044 163.808 PRESSAVG: 1370800 36.0605 -35.7611 -22.0252 -35.7611 -37.9277 -3.62158 -22.0251 -3.62157 4.06675 GPRESSAVG: 1370800 35.4169 -34.8572 -22.7846 -37.4026 -36.5182 -3.44164 -22.4569 -4.15875 3.8148 TIMING: 1370800 CPU: 4125.54, 0.00303144/step Wall: 4125.54, 0.00303144/step, 3.05603 hours remaining, 209.886719 MB of memory in use. ENERGY: 1370800 715.6215 2115.2548 1921.7243 109.2250 -207193.3647 18184.6326 0.0000 0.0000 34168.5074 -149978.3991 298.4021 -184146.9065 -149880.9010 297.4099 126.8313 166.9211 557106.4224 0.7332 0.9045 PRESSURE: 1371000 -158.427 -125.485 -132.72 -125.485 -291.711 -28.6314 -132.72 -28.6324 -180.057 GPRESSURE: 1371000 -114.434 -129.121 -198.65 -144.243 -280.555 13.0473 -58.6401 18.8681 -137.046 PRESSAVG: 1371000 31.0312 12.485 39.0094 12.485 9.67697 38.3595 39.0094 38.3596 21.2645 GPRESSAVG: 1371000 32.4346 10.8249 40.3744 14.6837 8.74731 37.5915 37.3487 42.332 20.8428 TIMING: 1371000 CPU: 4126.15, 0.00306154/step Wall: 4126.15, 0.00306154/step, 3.0862 hours remaining, 209.886719 MB of memory in use. ENERGY: 1371000 754.1463 2113.7819 1932.1135 116.1232 -206558.3647 17797.4985 0.0000 0.0000 34003.8155 -149840.8857 296.9638 -183844.7013 -149747.0249 297.2292 -210.0652 -177.3450 557935.6787 20.6576 20.6749 PRESSURE: 1371200 -192.104 -146.377 -90.8085 -146.377 -72.0457 -29.5677 -90.8087 -29.5678 185.227 GPRESSURE: 1371200 -129.427 -168.057 -134.837 -140.061 -6.12851 -50.2294 -88.1703 -102.549 143.829 PRESSAVG: 1371200 -16.1007 18.2272 -16.0117 18.2273 -42.2701 42.8905 -16.0117 42.8904 52.6114 GPRESSAVG: 1371200 -15.4205 18.3034 -18.3235 17.5626 -42.9389 44.3589 -14.0971 40.5153 51.9166 TIMING: 1371200 CPU: 4126.76, 0.00305918/step Wall: 4126.76, 0.00305918/step, 3.08365 hours remaining, 209.886719 MB of memory in use. ENERGY: 1371200 762.2458 2079.6852 1924.0135 108.4283 -207457.0212 18287.9645 0.0000 0.0000 34462.4047 -149832.2791 300.9688 -184294.6839 -149733.5740 297.7779 -26.3076 2.7577 555394.4105 -1.9198 -2.1476 PRESSURE: 1371400 -18.7815 -20.6944 -100.258 -20.6944 -239.111 11.5374 -100.259 11.5374 203.178 GPRESSURE: 1371400 16.4912 50.7382 -97.228 -38.6414 -208.864 9.91717 -72.4616 -32.0987 253.526 PRESSAVG: 1371400 -32.9127 -45.0584 -25.3368 -45.0585 -3.66734 -0.298063 -25.3368 -0.297936 90.1735 GPRESSAVG: 1371400 -32.2797 -44.3921 -24.5459 -45.5728 -3.78838 -0.0288989 -26.3739 -1.76448 90.1046 TIMING: 1371400 CPU: 4127.37, 0.00307473/step Wall: 4127.37, 0.00307473/step, 3.09916 hours remaining, 209.886719 MB of memory in use. ENERGY: 1371400 745.9714 2029.9816 1924.2528 114.7031 -206575.2276 17807.2840 0.0000 0.0000 34196.9203 -149756.1143 298.6502 -183953.0346 -149657.8940 297.6905 -18.2383 20.3845 555568.4389 17.8645 18.0122 PRESSURE: 1371600 3.61529 -111.734 -48.1821 -111.734 -166.252 6.51751 -48.1819 6.51749 -113.43 GPRESSURE: 1371600 7.23448 -84.4493 -82.7734 -50.1983 -176.38 -63.3195 -28.234 70.2937 -16.3527 PRESSAVG: 1371600 38.5688 -7.24458 -5.33548 -7.24464 -51.7863 52.8853 -5.33555 52.8853 38.5326 GPRESSAVG: 1371600 36.5955 -5.44369 -3.52193 -3.30998 -51.2494 51.4138 -6.31604 52.9517 39.4751 TIMING: 1371600 CPU: 4127.98, 0.0030436/step Wall: 4127.98, 0.0030436/step, 3.06761 hours remaining, 209.886719 MB of memory in use. ENERGY: 1371600 786.5968 2054.2187 1948.1856 111.1248 -206481.1355 17796.1634 0.0000 0.0000 33995.1725 -149789.6739 296.8883 -183784.8464 -149690.2306 297.6579 -92.0222 -61.8328 556893.8575 8.4383 8.2737 PRESSURE: 1371800 28.2303 10.975 -9.15946 10.9741 -142.123 -28.8703 -9.15867 -28.8697 -84.9007 GPRESSURE: 1371800 118.224 54.707 -18.7766 -34.4217 -130.436 -57.2977 -41.2583 14.9819 -83.3394 PRESSAVG: 1371800 -7.32189 31.5158 21.4069 31.5158 45.7929 9.60427 21.4071 9.60428 -31.062 GPRESSAVG: 1371800 -6.55991 29.4541 21.2902 27.8965 45.8809 8.75908 21.1889 11.7509 -31.6962 TIMING: 1371800 CPU: 4128.59, 0.00302919/step Wall: 4128.59, 0.00302919/step, 3.05292 hours remaining, 209.886719 MB of memory in use. ENERGY: 1371800 745.7851 2083.3278 1956.2448 109.9188 -206617.0009 17787.9601 0.0000 0.0000 34000.4785 -149933.2858 296.9346 -183933.7643 -149841.2952 297.4636 -66.2646 -31.8503 557015.1308 2.4697 2.5416 PRESSURE: 1372000 -49.6201 -3.05383 61.4894 -3.05273 -144.821 44.8924 61.49 44.8931 -104.151 GPRESSURE: 1372000 47.7801 -17.6367 94.9527 55.2863 -119.883 2.17694 -13.3589 112.88 -139.822 PRESSAVG: 1372000 -24.9445 7.08347 -10.6702 7.0834 -1.6266 36.619 -10.6702 36.6189 -4.74822 GPRESSAVG: 1372000 -25.1487 6.79498 -10.5891 7.66573 -1.82794 35.8238 -12.1089 34.9626 -4.82028 TIMING: 1372000 CPU: 4129.19, 0.00302711/step Wall: 4129.19, 0.00302711/step, 3.05066 hours remaining, 209.886719 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: 1372000 758.1228 2083.4356 1968.9752 117.3151 -206381.9201 17733.0611 0.0000 0.0000 34075.5288 -149645.4815 297.5901 -183721.0103 -149550.5088 297.6844 -99.5307 -70.6415 556847.9424 -10.4398 -10.5990 PRESSURE: 1372200 172.068 -27.6642 8.39732 -27.6651 318.298 -114.841 8.3961 -114.841 285.832 GPRESSURE: 1372200 235.823 -20.4669 15.397 9.81662 304.806 -121.457 -12.7951 -102.983 344.638 PRESSAVG: 1372200 -8.30134 -26.268 -15.4201 -26.2679 53.8423 -0.528136 -15.4202 -0.527914 -11.5669 GPRESSAVG: 1372200 -6.97903 -25.3948 -14.8776 -25.7248 53.875 1.25331 -13.1004 0.159125 -12.4458 TIMING: 1372200 CPU: 4129.81, 0.00309894/step Wall: 4129.81, 0.00309895/step, 3.12288 hours remaining, 209.886719 MB of memory in use. ENERGY: 1372200 738.3540 2110.4665 1922.0998 121.7206 -206548.7693 18085.7223 0.0000 0.0000 34008.8528 -149561.5533 297.0078 -183570.4061 -149464.7091 298.5605 258.7324 295.0890 556904.7899 11.3247 11.4834 LDB: ============= START OF LOAD BALANCING ============== 4133.34 LDB: ============== END OF LOAD BALANCING =============== 4133.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4133.34 LDB: ============= START OF LOAD BALANCING ============== 4133.65 LDB: Largest compute 4800 load 0.029806 is 25.3% of average load 0.117918 LDB: Average compute 0.001729 is 1.5% of average load 0.117918 LDB: TIME 4133.65 LOAD: AVG 0.117918 MAX 0.21865 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.27 MB LDB: TIME 4133.65 LOAD: AVG 0.117918 MAX 0.21865 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.473 MB LDB: TIME 4133.65 LOAD: AVG 0.117918 MAX 0.21865 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.473 MB LDB: ============== END OF LOAD BALANCING =============== 4133.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4133.66 PRESSURE: 1372400 -341.53 -81.9282 -56.8371 -81.9276 -94.5511 -61.1819 -56.8365 -61.1834 -241.21 GPRESSURE: 1372400 -243.307 -172.02 -26.2012 -45.6661 -119.144 -103.133 -47.8578 -43.7821 -232.305 PRESSAVG: 1372400 17.7843 -26.8818 35.9835 -26.8818 40.1124 -51.7777 35.9837 -51.7776 -34.0818 GPRESSAVG: 1372400 17.4731 -26.7172 34.7452 -26.8152 40.1592 -51.4806 35.6146 -52.8654 -33.664 TIMING: 1372400 CPU: 4130.44, 0.00314153/step Wall: 4130.44, 0.00314153/step, 3.16562 hours remaining, 207.757812 MB of memory in use. ENERGY: 1372400 755.3158 2084.0830 1954.6431 109.8342 -206300.1232 17649.9918 0.0000 0.0000 34069.3238 -149676.9314 297.5359 -183746.2553 -149579.0090 297.9120 -225.7637 -198.2518 558070.0605 7.9383 7.9894 PRESSURE: 1372600 -30.5681 -28.2436 -62.9529 -28.2434 246.488 6.10244 -62.9526 6.10263 109.945 GPRESSURE: 1372600 67.6976 -88.3579 -128.52 -0.238666 211.507 47.6738 -6.37428 26.3217 149.517 PRESSAVG: 1372600 -69.0214 -43.3478 -14.7489 -43.3478 80.3673 -18.0401 -14.7489 -18.04 -24.0965 GPRESSAVG: 1372600 -69.5324 -42.6828 -11.6696 -43.6545 80.5178 -18.9623 -15.4485 -17.8234 -23.5821 TIMING: 1372600 CPU: 4131.06, 0.00306554/step Wall: 4131.06, 0.00306554/step, 3.08888 hours remaining, 208.015625 MB of memory in use. ENERGY: 1372600 748.9684 2077.6456 1951.7706 103.3877 -206989.2776 18145.3960 0.0000 0.0000 34285.1608 -149676.9486 299.4208 -183962.1093 -149585.2711 298.1877 108.6217 142.9074 555990.2854 -4.2502 -4.1989 PRESSURE: 1372800 71.4073 94.4613 -144.549 94.4619 -152.416 10.6048 -144.548 10.6053 -266.871 GPRESSURE: 1372800 49.6803 124.993 -110.173 118.556 -88.7416 -79.7961 -130.109 42.4412 -202.191 PRESSAVG: 1372800 -9.45755 -24.0055 4.05148 -24.0054 86.6492 14.212 4.05147 14.212 -61.5738 GPRESSAVG: 1372800 -8.78472 -25.3128 0.967137 -22.932 86.8348 15.6435 3.5664 14.1227 -62.355 TIMING: 1372800 CPU: 4131.68, 0.00309637/step Wall: 4131.68, 0.00309637/step, 3.11976 hours remaining, 208.015625 MB of memory in use. ENERGY: 1372800 729.8520 2066.9659 1955.3240 112.1713 -206261.6070 17767.5585 0.0000 0.0000 34170.9574 -149458.7780 298.4235 -183629.7353 -149362.6429 299.0105 -115.9599 -80.4175 558826.6157 5.2060 5.2317 PRESSURE: 1373000 -172.92 -6.17985 37.9356 -6.17995 -24.4192 -107.257 37.9353 -107.259 46.7108 GPRESSURE: 1373000 -110.826 -7.53642 5.82126 30.1465 6.44318 9.1729 129.447 -6.4423 60.4154 PRESSAVG: 1373000 37.299 -26.4249 -9.30817 -26.425 -1.25805 52.6269 -9.30818 52.627 -2.53796 GPRESSAVG: 1373000 36.6929 -26.4826 -9.64293 -24.8085 -0.989661 53.0849 -7.81295 51.4085 -1.78753 TIMING: 1373000 CPU: 4132.29, 0.00305109/step Wall: 4132.29, 0.00305109/step, 3.07397 hours remaining, 208.015625 MB of memory in use. ENERGY: 1373000 749.0593 2093.5406 1933.8947 108.0701 -206352.2578 17894.7581 0.0000 0.0000 34047.8357 -149525.0992 297.3482 -183572.9349 -149427.3855 299.2988 -50.2094 -14.6557 558988.5782 11.1677 11.3052 PRESSURE: 1373200 -46.2937 11.6346 -63.8409 11.6344 -41.9199 143.192 -63.8416 143.193 -50.5508 GPRESSURE: 1373200 -4.48838 73.92 -40.9529 36.5648 -6.29577 177.963 -82.1239 119.558 -37.6881 PRESSAVG: 1373200 53.3763 29.607 -22.5838 29.607 -48.3854 32.0151 -22.5837 32.0151 -14.2422 GPRESSAVG: 1373200 54.4886 29.2662 -23.0381 28.1951 -49.2201 30.7778 -23.5122 32.3755 -14.7387 TIMING: 1373200 CPU: 4132.9, 0.00308135/step Wall: 4132.9, 0.00308135/step, 3.10429 hours remaining, 208.015625 MB of memory in use. ENERGY: 1373200 713.5036 2082.6150 1951.1306 115.9493 -206625.1698 18050.9478 0.0000 0.0000 34294.7736 -149416.2499 299.5048 -183711.0235 -149316.1482 298.5496 -46.2548 -16.1574 559623.0549 -3.0838 -3.1567 PRESSURE: 1373400 -0.0905825 191.572 120.028 191.571 -60.5317 -46.4016 120.027 -46.4018 -4.54578 GPRESSURE: 1373400 55.0615 177.461 124.34 193.864 -47.5566 -110.21 106.706 -1.81162 21.6873 PRESSAVG: 1373400 -0.772603 8.39039 26.9923 8.39049 26.0463 35.7216 26.9923 35.7215 20.4032 GPRESSAVG: 1373400 -2.31155 9.16277 26.5496 7.2669 27.8375 34.69 27.1557 35.7599 20.4778 TIMING: 1373400 CPU: 4133.51, 0.00304222/step Wall: 4133.51, 0.00304222/step, 3.0647 hours remaining, 208.015625 MB of memory in use. ENERGY: 1373400 706.0315 2092.4429 1941.0672 115.3076 -206351.0292 17763.0282 0.0000 0.0000 34220.3944 -149512.7575 298.8552 -183733.1519 -149414.7820 299.1580 -21.7227 9.7307 557500.0486 15.2257 15.3346 PRESSURE: 1373600 -124.257 93.306 -5.20819 93.3051 -309.464 -3.38271 -5.20935 -3.38282 -213.989 GPRESSURE: 1373600 -53.3058 32.5665 -39.3394 80.587 -242.597 -57.574 -2.46279 -8.3183 -244.958 PRESSAVG: 1373600 23.6942 40.8018 -16.5794 40.8019 -15.6008 2.97552 -16.5795 2.97556 -56.9325 GPRESSAVG: 1373600 23.3719 39.2089 -16.2645 42.7413 -15.5393 4.63911 -18.3087 4.36763 -56.8123 TIMING: 1373600 CPU: 4134.11, 0.00302132/step Wall: 4134.11, 0.00302132/step, 3.04347 hours remaining, 208.085938 MB of memory in use. ENERGY: 1373600 770.4184 2121.5730 1951.7949 111.0942 -206145.9000 17535.9083 0.0000 0.0000 34167.0810 -149488.0302 298.3896 -183655.1112 -149392.2096 297.8949 -215.9032 -180.2868 558125.1260 -16.2797 -16.3265 PRESSURE: 1373800 212.271 24.0444 -138.077 24.0447 74.0184 -30.1228 -138.077 -30.1224 -27.9408 GPRESSURE: 1373800 324.504 80.7717 -168.502 -1.62811 59.9742 -26.8253 -91.551 48.198 -33.8755 PRESSAVG: 1373800 52.4871 45.8221 -17.4612 45.822 -63.8838 24.776 -17.4613 24.776 -31.6501 GPRESSAVG: 1373800 52.5881 47.97 -14.4555 44.6009 -63.3662 23.5244 -16.311 24.578 -31.6613 TIMING: 1373800 CPU: 4134.72, 0.00302369/step Wall: 4134.72, 0.00302369/step, 3.0457 hours remaining, 208.085938 MB of memory in use. ENERGY: 1373800 722.3113 2115.8581 1900.8446 107.6836 -206487.8993 18001.1891 0.0000 0.0000 34038.3679 -149601.6448 297.2655 -183640.0127 -149501.7274 298.3156 86.1161 116.8674 557403.7943 -14.3489 -14.1464 PRESSURE: 1374000 111.919 -81.8507 -100.018 -81.8506 -134.165 -44.6932 -100.019 -44.693 64.9115 GPRESSURE: 1374000 145.95 -68.679 -40.2544 51.1531 -115.25 -52.1101 -111.282 -52.0057 98.8363 PRESSAVG: 1374000 2.75725 1.17758 34.4953 1.17759 2.34171 -9.45492 34.4953 -9.4548 -39.5717 GPRESSAVG: 1374000 4.24846 -0.405094 30.6368 2.00551 1.12175 -10.4405 36.4799 -5.72133 -39.9018 TIMING: 1374000 CPU: 4135.32, 0.00301546/step Wall: 4135.32, 0.00301546/step, 3.03723 hours remaining, 208.085938 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: 1374000 707.0954 2108.9470 1918.3844 129.2636 -206323.8098 17844.5491 0.0000 0.0000 34078.8827 -149536.6877 297.6194 -183615.5703 -149444.6343 298.0124 14.2218 43.1790 557565.6533 -11.4909 -11.5105 PRESSURE: 1374200 283.52 148.32 -104.822 148.321 -115.024 -6.59306 -104.822 -6.5926 -112.307 GPRESSURE: 1374200 329.151 158.039 -176.093 126.175 -74.1691 36.4797 -45.5618 5.00437 -101.263 PRESSAVG: 1374200 38.8629 -16.818 22.8507 -16.8181 -0.75985 -14.7795 22.8508 -14.7794 -11.7934 GPRESSAVG: 1374200 38.6206 -16.9313 23.726 -16.752 -0.729081 -13.954 20.8427 -17.7615 -11.3177 TIMING: 1374200 CPU: 4135.93, 0.00303353/step Wall: 4135.93, 0.00303353/step, 3.05527 hours remaining, 208.085938 MB of memory in use. ENERGY: 1374200 750.1455 2081.4388 1925.8135 117.3465 -206508.0476 17867.7770 0.0000 0.0000 34291.0552 -149474.4711 299.4723 -183765.5263 -149373.1820 298.5371 18.7293 51.2396 557503.9428 8.7699 8.8579 PRESSURE: 1374400 -265.486 139.056 1.59294 139.056 -155.54 -140.35 1.59431 -140.349 -88.0633 GPRESSURE: 1374400 -217.03 127.919 89.5401 168.907 -126.39 -61.884 -3.15457 -118.522 -64.8826 PRESSAVG: 1374400 -6.34982 -8.88935 27.9475 -8.88925 -7.27083 -8.54588 27.9475 -8.54585 -4.42356 GPRESSAVG: 1374400 -7.32656 -7.40421 29.4141 -10.5603 -6.99137 -9.48065 27.1446 -9.90226 -4.24656 TIMING: 1374400 CPU: 4136.53, 0.00302735/step Wall: 4136.53, 0.00302735/step, 3.04888 hours remaining, 208.085938 MB of memory in use. ENERGY: 1374400 777.6543 2082.0596 1944.8174 91.8879 -206247.9117 17585.0411 0.0000 0.0000 34329.9387 -149436.5127 299.8119 -183766.4514 -149334.7261 298.8566 -169.6964 -136.1010 557116.5184 -6.0147 -6.1882 PRESSURE: 1374600 -43.7099 -15.2263 88.1452 -15.2272 44.6602 -86.8133 88.1456 -86.8147 158.262 GPRESSURE: 1374600 -0.212643 48.7125 70.0147 -50.671 65.6808 -55.8471 87.106 -62.9735 191.356 PRESSAVG: 1374600 22.4289 55.692 22.9994 55.6921 -44.6915 -18.2983 22.9994 -18.2982 -7.16535 GPRESSAVG: 1374600 22.8237 53.9069 21.8947 56.2976 -43.8304 -17.9971 23.373 -16.1457 -8.87122 TIMING: 1374600 CPU: 4137.15, 0.00307038/step Wall: 4137.15, 0.00307038/step, 3.09204 hours remaining, 208.085938 MB of memory in use. ENERGY: 1374600 756.0828 2090.0459 1925.9547 103.7164 -206259.8716 17811.9099 0.0000 0.0000 34069.9097 -149502.2523 297.5410 -183572.1620 -149401.9593 299.2275 53.0708 85.6080 556173.9230 -9.8093 -9.9593 PRESSURE: 1374800 -102.529 -101.341 -4.18002 -101.341 -286.655 56.2008 -4.18023 56.1992 0.252899 GPRESSURE: 1374800 -103.921 -68.9057 -58.1234 -131.435 -260.277 97.7788 22.2026 -17.3862 61.1773 PRESSAVG: 1374800 22.4812 12.97 -8.46901 12.9701 -56.1297 -23.7537 -8.46903 -23.7537 -9.57711 GPRESSAVG: 1374800 21.76 12.7732 -9.9196 14.5805 -55.3989 -23.716 -7.81716 -24.6754 -8.8563 TIMING: 1374800 CPU: 4137.76, 0.00305561/step Wall: 4137.76, 0.00305561/step, 3.077 hours remaining, 208.085938 MB of memory in use. ENERGY: 1374800 749.3604 2054.3956 1915.4686 105.4350 -206102.4251 17611.5166 0.0000 0.0000 34074.0057 -149592.2431 297.5768 -183666.2488 -149497.4194 298.8623 -129.6439 -101.0071 557573.5876 -14.4085 -14.1651 PRESSURE: 1375000 -127.608 80.7066 19.6824 80.707 74.4536 -62.8561 19.6809 -62.8577 -280.45 GPRESSURE: 1375000 -120.792 32.6811 27.3492 86.4877 68.0643 49.732 -74.3534 -92.8792 -193.698 PRESSAVG: 1375000 -54.1181 32.4476 -4.66327 32.4476 26.8549 32.6692 -4.66314 32.6693 8.02415 GPRESSAVG: 1375000 -53.3485 32.4727 -3.56654 31.8779 25.9897 33.857 -5.7798 33.3283 7.73821 TIMING: 1375000 CPU: 4138.36, 0.00302483/step Wall: 4138.36, 0.00302483/step, 3.04583 hours remaining, 208.085938 MB of memory in use. ENERGY: 1375000 749.5962 2071.0448 1934.5522 119.6725 -206093.6553 17527.4687 0.0000 0.0000 34214.7956 -149476.5253 298.8063 -183691.3209 -149387.2940 298.2047 -111.2013 -82.1421 557283.4393 -6.4130 -6.5402 PRESSURE: 1375200 60.6672 66.6225 52.004 66.6214 80.8117 74.6699 52.0051 74.6706 -168.576 GPRESSURE: 1375200 51.4487 43.9042 45.8627 70.5274 131.207 139.269 102.386 84.7922 -127.525 PRESSAVG: 1375200 8.77919 35.4907 10.676 35.4906 45.9808 30.426 10.6761 30.4259 -31.5893 GPRESSAVG: 1375200 9.82561 35.0536 10.8434 35.6733 45.5609 29.033 12.0638 30.3177 -32.5305 TIMING: 1375200 CPU: 4138.97, 0.00302101/step Wall: 4138.97, 0.00302101/step, 3.04183 hours remaining, 208.085938 MB of memory in use. ENERGY: 1375200 762.6860 2078.2655 1917.8502 111.6540 -206421.5630 17786.7282 0.0000 0.0000 34171.9810 -149592.3981 298.4324 -183764.3791 -149497.0257 298.2561 -9.0325 18.3770 556158.6591 7.7236 7.6187 PRESSURE: 1375400 131.121 -177.563 -28.8694 -177.563 290.88 120.38 -28.8694 120.382 33.8549 GPRESSURE: 1375400 140.526 -103.322 -42.833 -265.628 294.196 191.323 44.9091 67.2854 122.272 PRESSAVG: 1375400 -0.850223 -10.404 -54.6318 -10.404 35.4858 -22.2682 -54.6317 -22.2682 -13.4035 GPRESSAVG: 1375400 -1.22452 -10.5156 -53.746 -10.3229 34.1291 -21.2968 -55.9356 -21.355 -11.8005 TIMING: 1375400 CPU: 4139.58, 0.00304157/step Wall: 4139.58, 0.00304157/step, 3.06235 hours remaining, 208.085938 MB of memory in use. ENERGY: 1375400 704.9239 2119.3976 1961.4040 119.2089 -206770.7852 18048.8476 0.0000 0.0000 34255.6923 -149561.3110 299.1635 -183817.0033 -149464.8674 298.9869 151.9520 185.6651 555997.6505 7.0774 7.0347 PRESSURE: 1375600 94.8358 -145.56 -3.27761 -145.561 330.073 -97.8547 -3.27726 -97.8534 121.525 GPRESSURE: 1375600 110.343 -65.0965 65.8888 -67.8527 342.406 30.078 -25.3161 -204.379 178.997 PRESSAVG: 1375600 19.282 -17.2837 -6.29725 -17.2837 6.65188 -22.7651 -6.2973 -22.7652 -10.3388 GPRESSAVG: 1375600 19.1903 -16.3097 -7.24715 -16.5893 8.95097 -24.314 -5.39313 -23.2894 -12.134 TIMING: 1375600 CPU: 4140.19, 0.00304416/step Wall: 4140.19, 0.00304416/step, 3.06479 hours remaining, 208.085938 MB of memory in use. ENERGY: 1375600 700.5206 2046.9059 1932.6114 119.1071 -206872.9897 18303.9872 0.0000 0.0000 34186.2257 -149583.6318 298.5568 -183769.8575 -149486.7378 298.8328 182.1444 210.5818 556710.0168 5.1984 5.3358 PRESSURE: 1375800 -82.5177 25.3151 -87.2547 25.3145 -204.267 3.53809 -87.2545 3.5384 -301.337 GPRESSURE: 1375800 -66.4073 -30.7276 -13.129 53.5192 -122.522 -79.2206 -67.799 30.6931 -285.969 PRESSAVG: 1375800 17.9398 28.6604 -3.69747 28.6604 -17.4149 11.6023 -3.69739 11.6023 -24.7898 GPRESSAVG: 1375800 19.09 30.0089 -0.793256 26.0137 -18.6382 13.0702 -4.43626 12.0499 -24.85 TIMING: 1375800 CPU: 4140.79, 0.00304054/step Wall: 4140.79, 0.00304054/step, 3.06098 hours remaining, 208.085938 MB of memory in use. ENERGY: 1375800 731.6433 2093.4532 1931.3027 120.7782 -206173.1167 17658.6474 0.0000 0.0000 34236.8241 -149400.4679 298.9987 -183637.2920 -149300.3101 299.1170 -196.0406 -158.2996 558857.0000 -8.0883 -8.1327 PRESSURE: 1376000 9.03521 -23.746 -24.4579 -23.7449 158.566 -29.1147 -24.4567 -29.1154 136.197 GPRESSURE: 1376000 15.5456 -4.15079 5.90972 26.6777 183.904 -108.077 -64.1916 14.6779 202.109 PRESSAVG: 1376000 51.6101 5.80186 35.3197 5.80187 -60.346 -10.4356 35.3197 -10.4356 29.6496 GPRESSAVG: 1376000 50.1142 6.18818 32.3504 6.63886 -59.5259 -11.4916 36.285 -12.0137 30.6759 TIMING: 1376000 CPU: 4141.4, 0.00304093/step Wall: 4141.4, 0.00304093/step, 3.0612 hours remaining, 208.085938 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: 1376000 755.1809 2070.9980 1959.3588 106.2204 -206651.1769 18170.0041 0.0000 0.0000 34177.2739 -149412.1408 298.4786 -183589.4146 -149318.3965 298.5756 101.2660 133.8528 557058.3110 6.9712 7.0881 PRESSURE: 1376200 -58.9193 50.4132 236.006 50.4122 -311.987 -74.9329 236.007 -74.9321 159.513 GPRESSURE: 1376200 -46.8748 47.6585 229.495 -4.73962 -269.106 -102.77 211.91 -36.7198 190.715 PRESSAVG: 1376200 0.500828 29.5604 29.9107 29.5604 -89.4819 -63.9983 29.9107 -63.9983 73.4608 GPRESSAVG: 1376200 0.665115 28.028 30.5492 30.013 -90.2734 -62.8741 31.2535 -64.6124 73.7059 TIMING: 1376200 CPU: 4142.01, 0.00303444/step Wall: 4142.01, 0.00303444/step, 3.0545 hours remaining, 208.085938 MB of memory in use. ENERGY: 1376200 738.8808 2088.4954 1931.7015 110.9425 -205921.1204 17609.3951 0.0000 0.0000 34157.9669 -149283.7383 298.3100 -183441.7051 -149183.7653 298.6238 -70.4644 -41.7551 558428.6920 -5.1734 -5.3008 LDB: ============= START OF LOAD BALANCING ============== 4145.53 LDB: ============== END OF LOAD BALANCING =============== 4145.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4145.53 LDB: ============= START OF LOAD BALANCING ============== 4145.83 LDB: Largest compute 4800 load 0.029414 is 25.0% of average load 0.117838 LDB: Average compute 0.001738 is 1.5% of average load 0.117838 LDB: TIME 4145.83 LOAD: AVG 0.117838 MAX 0.212798 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.504 MB LDB: TIME 4145.83 LOAD: AVG 0.117838 MAX 0.212798 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.578 MB LDB: TIME 4145.83 LOAD: AVG 0.117838 MAX 0.212798 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.578 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4145.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4145.84 PRESSURE: 1376400 -239.404 -17.9024 61.0101 -17.9023 -104.971 -58.0259 61.0105 -58.0229 -217.825 GPRESSURE: 1376400 -199.903 38.9015 114.397 -18.9843 -69.2798 25.5293 5.29124 -27.8723 -198.333 PRESSAVG: 1376400 -40.083 -44.5108 2.58043 -44.5108 15.7495 71.8615 2.58047 71.8616 13.9659 GPRESSAVG: 1376400 -39.9864 -44.9311 3.20548 -45.852 15.905 70.9454 0.362223 72.6315 14.3553 TIMING: 1376400 CPU: 4142.62, 0.00307306/step Wall: 4142.62, 0.00307306/step, 3.09321 hours remaining, 207.359375 MB of memory in use. ENERGY: 1376400 749.5067 2106.1487 1905.5790 105.7258 -205880.9810 17416.0055 0.0000 0.0000 34194.5737 -149403.4416 298.6297 -183598.0152 -149305.7367 299.0834 -187.4003 -155.8386 557686.9702 -3.4559 -3.2421 PRESSURE: 1376600 67.3749 10.0921 -53.1469 10.0922 121.136 20.7353 -53.148 20.7362 26.1007 GPRESSURE: 1376600 82.8728 20.4792 -70.5962 9.03563 121.377 32.8451 -60.5031 70.0258 105.657 PRESSAVG: 1376600 -32.4035 -11.3616 19.1701 -11.3615 28.5587 29.5431 19.17 29.5431 -9.19877 GPRESSAVG: 1376600 -33.3235 -10.7376 19.4982 -11.7723 29.3133 28.1285 20.0517 30.792 -8.80504 TIMING: 1376600 CPU: 4143.23, 0.00304204/step Wall: 4143.23, 0.00304204/step, 3.06181 hours remaining, 207.359375 MB of memory in use. ENERGY: 1376600 779.6491 2062.0439 1924.4507 113.4463 -206656.6177 18047.5086 0.0000 0.0000 34089.8557 -149639.6635 297.7152 -183729.5192 -149540.1556 297.8883 71.5372 103.3024 557325.2775 -4.3479 -4.2717 PRESSURE: 1376800 -195.36 -104.401 -7.37219 -104.401 -122.63 132.398 -7.37244 132.399 -283.691 GPRESSURE: 1376800 -156.127 -105.65 -39.3844 -20.6495 -128.351 104.444 45.1617 176.189 -228.016 PRESSAVG: 1376800 -29.1155 -11.6744 8.86427 -11.6744 -1.45119 -4.97065 8.86423 -4.97051 5.62157 GPRESSAVG: 1376800 -28.8596 -11.3092 10.3895 -11.1273 -2.36258 -1.40203 7.47656 -7.62384 6.56464 TIMING: 1376800 CPU: 4143.85, 0.00306938/step Wall: 4143.85, 0.00306938/step, 3.08916 hours remaining, 207.359375 MB of memory in use. ENERGY: 1376800 763.5330 2060.8078 1933.6521 113.3241 -206159.5270 17656.8403 0.0000 0.0000 34079.2965 -149552.0732 297.6230 -183631.3697 -149458.2240 297.8375 -200.5604 -170.8312 558675.7431 -8.3151 -8.2192 PRESSURE: 1377000 64.9349 -169.75 107.623 -169.749 -45.3488 58.2111 107.623 58.211 184.895 GPRESSURE: 1377000 140.171 -129.013 82.0648 -130.314 -45.1925 37.113 117.149 48.3406 220.363 PRESSAVG: 1377000 -10.6877 17.1478 35.046 17.1479 9.63369 -42.3215 35.046 -42.3213 22.6742 GPRESSAVG: 1377000 -9.34646 17.2402 34.1677 17.6951 9.60489 -44.3099 37.5497 -39.7066 21.6726 TIMING: 1377000 CPU: 4144.46, 0.00308256/step Wall: 4144.46, 0.00308256/step, 3.10226 hours remaining, 207.359375 MB of memory in use. ENERGY: 1377000 725.3311 2068.9231 1919.2716 117.0078 -206610.3140 18067.8520 0.0000 0.0000 34029.8792 -149682.0492 297.1914 -183711.9284 -149584.9629 297.9677 68.1604 105.1136 556825.9897 7.2067 7.3103 PRESSURE: 1377200 -0.111209 -212.489 -210.325 -212.487 -139.488 -34.9652 -210.326 -34.9652 -29.5171 GPRESSURE: 1377200 10.4663 -131.303 -244.399 -159.709 -116.934 -76.3329 -218.794 28.2249 33.0082 PRESSAVG: 1377200 -93.9691 15.41 -0.0719427 15.41 71.235 -39.8731 -0.0719808 -39.8731 -9.20926 GPRESSAVG: 1377200 -94.7614 14.7901 -0.967314 15.6762 71.6394 -40.5255 -1.68885 -38.9021 -9.24127 TIMING: 1377200 CPU: 4145.07, 0.00303403/step Wall: 4145.07, 0.00303403/step, 3.05325 hours remaining, 207.359375 MB of memory in use. ENERGY: 1377200 704.5323 2070.3586 1946.6878 117.1365 -206384.6783 17850.0889 0.0000 0.0000 33991.4389 -149704.4353 296.8557 -183695.8742 -149606.9076 297.2788 -56.3720 -24.4866 557809.4418 -10.6478 -10.7878 PRESSURE: 1377400 45.6697 -23.0681 -2.1155 -23.0676 153.648 134.206 -2.11561 134.205 330.408 GPRESSURE: 1377400 90.1422 -13.3069 20.9023 -30.4551 197.727 156.988 -44.1675 94.5151 334.427 PRESSAVG: 1377400 -35.1156 1.99417 -21.9412 1.99417 6.12887 47.2661 -21.9411 47.266 -5.54342 GPRESSAVG: 1377400 -34.4604 2.79161 -23.0071 3.71539 5.10178 47.4761 -18.9059 46.6833 -4.9239 TIMING: 1377400 CPU: 4145.68, 0.00304821/step Wall: 4145.68, 0.00304821/step, 3.06735 hours remaining, 207.359375 MB of memory in use. ENERGY: 1377400 737.6371 2075.7555 1937.8949 104.6342 -207142.9276 18345.7345 0.0000 0.0000 34073.9019 -149867.3694 297.5759 -183941.2713 -149780.5721 297.3411 176.5753 207.4322 556891.0856 -11.5100 -11.4275 PRESSURE: 1377600 129.376 98.2492 104.914 98.2498 41.3616 85.8717 104.914 85.8726 -60.3462 GPRESSURE: 1377600 142.127 93.5369 114.806 52.2789 44.5913 231.071 113.3 -13.1243 34.354 PRESSAVG: 1377600 45.3383 -19.2543 -10.3266 -19.2544 -5.2737 75.8147 -10.3267 75.8148 -17.5065 GPRESSAVG: 1377600 46.04 -20.9466 -8.84218 -20.7537 -5.53107 75.2383 -11.882 74.7602 -17.6194 TIMING: 1377600 CPU: 4146.29, 0.00303532/step Wall: 4146.29, 0.00303532/step, 3.05421 hours remaining, 207.359375 MB of memory in use. ENERGY: 1377600 753.1725 2056.8416 1916.1686 121.7702 -207010.5186 17955.9610 0.0000 0.0000 34425.9078 -149780.6971 300.6500 -184206.6049 -149683.2401 298.1513 36.7973 73.6907 556900.5687 7.5193 7.6299 PRESSURE: 1377800 -397.057 -38.1528 -161.848 -38.1515 -243.47 -52.3768 -161.847 -52.3779 -249.155 GPRESSURE: 1377800 -316.341 -109.102 -160.632 12.4552 -238.771 9.82054 -150.293 -73.4913 -238.506 PRESSAVG: 1377800 23.5702 -61.5532 25.9501 -61.5531 50.5659 20.9624 25.9501 20.9624 -15.4686 GPRESSAVG: 1377800 22.2154 -60.8044 26.1308 -61.0087 51.337 22.982 24.7863 20.734 -15.0953 TIMING: 1377800 CPU: 4146.9, 0.00304505/step Wall: 4146.9, 0.00304505/step, 3.06383 hours remaining, 207.359375 MB of memory in use. ENERGY: 1377800 771.6521 2089.1605 1937.8598 103.4258 -206369.3745 17611.3579 0.0000 0.0000 33993.2714 -149862.6468 296.8717 -183855.9182 -149766.5548 297.9537 -296.5607 -264.5394 558402.3854 19.5559 19.4857 PRESSURE: 1378000 147.205 -111.806 295.918 -111.805 97.8233 -146.991 295.918 -146.992 192.315 GPRESSURE: 1378000 235.615 -61.4103 302.038 -96.2384 126.669 -151.733 242.677 -126.91 184.023 PRESSAVG: 1378000 -14.2299 -65.1157 58.1315 -65.1157 10.6754 -20.4002 58.1317 -20.4003 7.16554 GPRESSAVG: 1378000 -13.4628 -65.2086 56.8727 -65.8831 11.2336 -20.3852 59.845 -19.7636 5.85977 TIMING: 1378000 CPU: 4147.51, 0.00305044/step Wall: 4147.51, 0.00305044/step, 3.06909 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: 1378000 715.7100 2109.8189 1909.3760 105.1954 -206844.6723 17972.7813 0.0000 0.0000 34303.5715 -149728.2192 299.5816 -184031.7908 -149641.3227 297.2912 145.7811 182.1023 556748.9615 1.2037 1.2102 PRESSURE: 1378200 271.336 90.281 -67.6264 90.2812 -223.315 46.5522 -67.6259 46.552 -43.3218 GPRESSURE: 1378200 213.949 3.7766 -98.7769 103.849 -162.163 92.3193 9.97491 13.6538 55.837 PRESSAVG: 1378200 -34.2081 3.02237 64.2907 3.02243 -2.67827 -40.0179 64.2906 -40.0179 44.1552 GPRESSAVG: 1378200 -35.3783 3.66815 67.4282 2.94984 -2.82088 -39.9737 62.1437 -40.6527 45.6348 TIMING: 1378200 CPU: 4148.11, 0.00301274/step Wall: 4148.11, 0.00301274/step, 3.03098 hours remaining, 207.359375 MB of memory in use. ENERGY: 1378200 757.8974 2069.8472 1917.4422 103.6648 -206314.0494 17786.5961 0.0000 0.0000 34044.0858 -149634.5159 297.3155 -183678.6017 -149541.9479 298.2481 1.5664 35.8743 558324.2800 2.4230 2.4785 PRESSURE: 1378400 -1.97578 -127.114 116.863 -127.114 -351.003 165.659 116.864 165.659 44.949 GPRESSURE: 1378400 39.1819 -144.038 174.546 -121.507 -337.145 143.21 117.597 215.617 93.9006 PRESSAVG: 1378400 -46.6009 32.7743 1.02382 32.7742 -6.06706 -30.7212 1.02376 -30.7212 66.9932 GPRESSAVG: 1378400 -45.3361 33.2149 -0.517952 31.5484 -6.00622 -30.6239 2.89758 -31.1399 66.1515 TIMING: 1378400 CPU: 4148.71, 0.00301096/step Wall: 4148.71, 0.00301096/step, 3.02903 hours remaining, 207.359375 MB of memory in use. ENERGY: 1378400 740.4082 2059.4778 1928.5683 102.7398 -206608.5732 17879.9897 0.0000 0.0000 34251.5063 -149645.8831 299.1269 -183897.3895 -149550.8602 297.9917 -102.6767 -68.0207 558048.3957 4.7751 4.9364 PRESSURE: 1378600 -151.207 73.2157 8.91304 73.2167 15.548 165.938 8.91453 165.938 -142.377 GPRESSURE: 1378600 -61.5913 10.0991 33.856 71.2732 -37.4029 232.79 -2.15782 197.372 -94.2807 PRESSAVG: 1378600 -25.5859 18.8678 -35.7441 18.8679 6.817 55.4627 -35.744 55.4627 5.15705 GPRESSAVG: 1378600 -24.9025 19.3153 -36.1685 20.1739 6.48818 56.0858 -38.8471 54.5087 4.94212 TIMING: 1378600 CPU: 4149.32, 0.00302881/step Wall: 4149.32, 0.00302881/step, 3.04682 hours remaining, 207.359375 MB of memory in use. ENERGY: 1378600 718.0633 2081.1300 1947.1864 102.0047 -206014.4779 17620.8100 0.0000 0.0000 34047.6937 -149497.5898 297.3470 -183545.2835 -149401.1801 298.1148 -92.6785 -64.4250 557709.8671 -4.5373 -4.4907 PRESSURE: 1378800 203.247 -8.10342 130.372 -8.1026 -80.5702 25.5961 130.373 25.5969 44.462 GPRESSURE: 1378800 231.34 -83.7797 24.2923 27.2514 -30.1797 -27.65 166.795 -38.2859 58.7416 PRESSAVG: 1378800 12.8332 10.6482 -25.6301 10.6481 -0.166526 -10.3203 -25.63 -10.3203 -26.9899 GPRESSAVG: 1378800 12.2628 10.6165 -27.6133 10.3563 -0.148721 -10.5029 -24.3639 -11.3608 -26.1814 TIMING: 1378800 CPU: 4149.93, 0.00305249/step Wall: 4149.93, 0.00305249/step, 3.07047 hours remaining, 207.359375 MB of memory in use. ENERGY: 1378800 719.6012 2041.9744 1929.5501 113.6992 -206419.9418 18064.3524 0.0000 0.0000 34095.0077 -149455.7568 297.7602 -183550.7645 -149353.2841 297.8279 55.7129 86.6340 557415.3432 -4.7744 -4.6891 PRESSURE: 1379000 298.066 51.7103 -169.344 51.7115 1.7824 -19.5502 -169.344 -19.5506 36.2715 GPRESSURE: 1379000 328.178 117.229 -146.901 -3.05365 45.3852 9.22044 -261.054 -8.92129 64.4306 PRESSAVG: 1379000 5.49099 15.3917 -48.095 15.3918 -49.1388 -13.8359 -48.0949 -13.8359 31.0332 GPRESSAVG: 1379000 5.57984 14.7101 -46.3185 17.3194 -48.226 -14.2547 -45.306 -10.8818 30.1835 TIMING: 1379000 CPU: 4150.53, 0.00301643/step Wall: 4150.53, 0.00301643/step, 3.03402 hours remaining, 207.359375 MB of memory in use. ENERGY: 1379000 721.5404 2097.2646 1910.2378 105.2349 -206410.5495 17834.9311 0.0000 0.0000 34323.3478 -149417.9928 299.7543 -183741.3406 -149324.6124 298.7485 112.0398 145.9978 556081.3746 -4.2049 -4.1542 PRESSURE: 1379200 18.9872 -82.1458 89.9857 -82.1459 47.4076 -111.615 89.9839 -111.615 -99.826 GPRESSURE: 1379200 38.6234 -83.9912 106.136 -120.737 45.0887 -191.95 130.53 -33.8101 -31.3459 PRESSAVG: 1379200 14.2474 -21.7877 19.5076 -21.7878 30.9433 32.0235 19.5076 32.0236 -40.6499 GPRESSAVG: 1379200 13.6981 -21.3464 20.2886 -23.9526 30.0943 33.0528 16.7569 28.9931 -39.3781 TIMING: 1379200 CPU: 4151.13, 0.00300345/step Wall: 4151.13, 0.00300345/step, 3.02081 hours remaining, 207.359375 MB of memory in use. ENERGY: 1379200 715.1355 2142.1812 1926.1761 116.9194 -206166.5621 17795.4957 0.0000 0.0000 34216.5153 -149254.1390 298.8213 -183470.6543 -149153.8866 298.6023 -11.1437 17.4554 557196.9853 1.5136 1.4714 PRESSURE: 1379400 -207.216 6.08546 -49.2773 6.08574 -270.154 -99.3371 -49.2765 -99.3377 -143.826 GPRESSURE: 1379400 -178.649 -15.2146 -146.723 58.0912 -193.747 -108.845 67.4651 -114.343 -148.839 PRESSAVG: 1379400 51.7408 -9.16663 20.6457 -9.16667 -34.2981 47.4365 20.6457 47.4365 -14.7699 GPRESSAVG: 1379400 52.4153 -9.37097 19.5838 -8.87322 -34.7211 47.1618 22.4464 49.306 -15.3367 TIMING: 1379400 CPU: 4151.74, 0.00303903/step Wall: 4151.74, 0.00303903/step, 3.05642 hours remaining, 207.359375 MB of memory in use. ENERGY: 1379400 725.3431 2127.9907 1925.8738 107.8723 -205558.8104 17426.8735 0.0000 0.0000 33963.0525 -149281.8046 296.6078 -183244.8570 -149186.1158 299.3994 -207.0654 -173.7451 559466.3188 0.8909 0.7859 PRESSURE: 1379600 -1.70857 7.9808 40.527 7.98203 167.149 98.3179 40.5272 98.3181 -121.811 GPRESSURE: 1379600 43.4612 -71.9734 48.6483 -14.4511 149.672 120.349 20.5952 33.2312 -53.108 PRESSAVG: 1379600 -1.43177 -1.61574 -17.3946 -1.61577 -10.6264 24.4665 -17.3946 24.4665 -35.6471 GPRESSAVG: 1379600 -1.95133 -1.94834 -17.4102 0.586943 -10.0445 24.1647 -17.776 23.6112 -35.58 TIMING: 1379600 CPU: 4152.34, 0.00303286/step Wall: 4152.34, 0.00303286/step, 3.05004 hours remaining, 207.359375 MB of memory in use. ENERGY: 1379600 760.6335 2104.6298 1936.2293 105.0792 -206683.8735 18058.0534 0.0000 0.0000 34462.5343 -149256.7141 300.9699 -183719.2483 -149160.4089 298.7605 14.5431 46.6752 558904.8492 -15.9017 -15.8586 PRESSURE: 1379800 241.997 -123.661 24.4321 -123.662 109.199 301.975 24.432 301.975 -168.176 GPRESSURE: 1379800 203.079 12.2446 91.6827 -137.547 104.222 166.672 -50.5267 333.2 -26.247 PRESSAVG: 1379800 24.2559 -7.81641 -6.18376 -7.81639 -38.6517 -47.5967 -6.18383 -47.5967 11.0125 GPRESSAVG: 1379800 24.4482 -5.90129 -6.00644 -10.0028 -38.6609 -47.3778 -5.51983 -47.8764 11.1576 TIMING: 1379800 CPU: 4152.95, 0.00301701/step Wall: 4152.95, 0.00301701/step, 3.03394 hours remaining, 207.359375 MB of memory in use. ENERGY: 1379800 742.7107 2153.8101 1909.0057 112.9270 -206502.8980 17960.7155 0.0000 0.0000 34321.7727 -149301.9563 299.7406 -183623.7290 -149203.3486 299.4162 61.0066 93.6846 557291.8971 -1.1278 -1.0184 PRESSURE: 1380000 -184.622 -82.0479 -16.3403 -82.0499 -264.153 68.5084 -16.3395 68.5079 -309.738 GPRESSURE: 1380000 -137.989 -138.022 -41.5375 38.362 -235.24 138.754 -20.6954 1.26012 -283.392 PRESSAVG: 1380000 23.169 36.2214 -4.51588 36.2214 4.5168 -24.5884 -4.51592 -24.5885 -110.008 GPRESSAVG: 1380000 23.3747 35.5126 -2.65036 35.8346 4.13764 -24.0543 -7.12329 -25.0356 -110.026 TIMING: 1380000 CPU: 4153.55, 0.00301911/step Wall: 4153.55, 0.00301911/step, 3.03588 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: 1380000 754.6250 2135.4887 1937.2734 128.4554 -206043.8681 17545.7098 0.0000 0.0000 34317.7308 -149224.5850 299.7053 -183542.3158 -149127.3877 299.2644 -252.8376 -218.8734 557902.8423 -27.4409 -27.5045 PRESSURE: 1380200 -109.085 -27.498 -34.3124 -27.4998 -47.7908 -117.872 -34.3128 -117.872 50.4308 GPRESSURE: 1380200 -95.3688 4.05228 -72.9916 -30.0647 5.8209 -136.66 -24.3704 -84.972 74.881 PRESSAVG: 1380200 -10.8206 -35.0992 -36.8226 -35.0993 20.5958 51.9237 -36.8226 51.9237 30.4385 GPRESSAVG: 1380200 -12.678 -36.2873 -38.1037 -33.7881 21.7724 50.3417 -34.2295 53.4595 30.6225 TIMING: 1380200 CPU: 4154.15, 0.00299272/step Wall: 4154.15, 0.00299272/step, 3.00918 hours remaining, 207.359375 MB of memory in use. ENERGY: 1380200 777.0746 2125.2960 1932.7784 107.5757 -206297.8514 17804.1382 0.0000 0.0000 34211.7655 -149339.2230 298.7799 -183550.9885 -149244.2606 298.4074 -35.4817 -4.8889 556521.8653 13.4046 13.2390 LDB: ============= START OF LOAD BALANCING ============== 4157.67 LDB: ============== END OF LOAD BALANCING =============== 4157.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4157.67 LDB: ============= START OF LOAD BALANCING ============== 4157.97 LDB: Largest compute 4800 load 0.030287 is 25.7% of average load 0.117949 LDB: Average compute 0.001733 is 1.5% of average load 0.117949 LDB: TIME 4157.98 LOAD: AVG 0.117949 MAX 0.215794 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.844 MB LDB: TIME 4157.98 LOAD: AVG 0.117949 MAX 0.215794 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.047 MB LDB: TIME 4157.98 LOAD: AVG 0.117949 MAX 0.215794 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.047 MB LDB: ============== END OF LOAD BALANCING =============== 4157.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4157.98 PRESSURE: 1380400 -343.961 214.824 136.433 214.823 -202.505 -159.748 136.433 -159.747 44.7327 GPRESSURE: 1380400 -244.274 170.772 111.572 291.104 -182.859 -112.564 152.297 -135.94 15.9375 PRESSAVG: 1380400 7.95065 16.1552 15.4375 16.1552 0.82012 5.38161 15.4375 5.38146 -44.86 GPRESSAVG: 1380400 9.02249 14.0279 15.344 16.0993 -0.143952 4.17464 14.7946 5.85737 -45.1276 TIMING: 1380400 CPU: 4154.77, 0.00307698/step Wall: 4154.77, 0.00307698/step, 3.09373 hours remaining, 206.078125 MB of memory in use. ENERGY: 1380400 762.3048 2094.6355 1929.9017 118.4336 -206034.8720 17522.4170 0.0000 0.0000 34222.6334 -149384.5460 298.8748 -183607.1794 -149286.2530 297.7804 -167.2445 -137.0654 557131.8655 -12.0298 -12.0830 PRESSURE: 1380600 -383.291 74.2325 -18.5102 74.2322 -186.498 221.155 -18.5091 221.156 36.7469 GPRESSURE: 1380600 -349.545 118.933 70.1825 61.4715 -159.124 211.7 -130.469 256.195 72.2908 PRESSAVG: 1380600 -16.0215 68.6971 11.8252 68.6972 117.315 -20.2329 11.8252 -20.233 -62.3497 GPRESSAVG: 1380600 -16.2912 71.9481 12.9714 68.9293 117.617 -19.3899 11.126 -20.2932 -62.4237 TIMING: 1380600 CPU: 4155.37, 0.00303597/step Wall: 4155.37, 0.00303597/step, 3.05234 hours remaining, 206.406250 MB of memory in use. ENERGY: 1380600 750.3082 2131.9436 1912.6322 128.7688 -205883.1111 17362.0711 0.0000 0.0000 34292.3190 -149305.0682 299.4834 -183597.3872 -149213.9226 299.1138 -177.6808 -145.4595 556999.6014 12.9811 12.9674 PRESSURE: 1380800 63.6679 92.438 52.2971 92.437 358.645 -57 52.2972 -56.9993 69.162 GPRESSURE: 1380800 142.404 47.3741 65.267 85.3578 302.399 -14.5728 -0.997007 -18.7105 157.614 PRESSAVG: 1380800 -20.1834 66.4539 -29.8574 66.4538 76.8261 -23.9832 -29.8574 -23.9831 -31.3826 GPRESSAVG: 1380800 -19.3701 64.4707 -31.0942 66.5803 75.903 -23.0063 -29.3047 -25.0961 -31.6261 TIMING: 1380800 CPU: 4155.98, 0.00303062/step Wall: 4155.98, 0.00303062/step, 3.04679 hours remaining, 206.406250 MB of memory in use. ENERGY: 1380800 725.3635 2158.0394 1928.9618 108.0010 -206477.2682 17918.1591 0.0000 0.0000 34275.2937 -149363.4496 299.3347 -183638.7433 -149266.9821 299.5545 163.8249 200.8058 556044.5393 8.4200 8.3023 PRESSURE: 1381000 -283.448 -1.52847 -4.59248 -1.52678 -74.8426 -38.2365 -4.59258 -38.2364 -184.293 GPRESSURE: 1381000 -211.1 -31.3142 29.5286 -23.7567 -48.3869 -44.9178 -12.8345 -9.63628 -173.252 PRESSAVG: 1381000 -13.3838 60.2435 12.1228 60.2435 82.3596 33.8589 12.1229 33.8589 -73.5324 GPRESSAVG: 1381000 -15.2238 63.1528 12.8249 59.3616 83.7087 34.5377 13.1379 34.702 -73.615 TIMING: 1381000 CPU: 4156.58, 0.00298749/step Wall: 4156.58, 0.00298749/step, 3.00325 hours remaining, 206.406250 MB of memory in use. ENERGY: 1381000 743.8994 2074.1536 1956.2391 115.1240 -205928.6242 17575.8068 0.0000 0.0000 34171.4051 -149291.9963 298.4274 -183463.4013 -149192.9776 299.1012 -180.8609 -144.2463 557159.8422 -1.5189 -1.7100 PRESSURE: 1381200 -119.377 38.581 18.9362 38.5807 -264.642 -38.1521 18.9358 -38.1522 -229.516 GPRESSURE: 1381200 -52.3044 -7.06852 14.2611 88.5531 -224.709 -92.883 11.3378 12.2443 -232.595 PRESSAVG: 1381200 -19.7647 17.0771 78.0998 17.0771 18.4168 -5.99497 78.0998 -5.99494 -19.2268 GPRESSAVG: 1381200 -19.3859 16.037 79.6928 18.8503 18.3588 -9.43062 76.7429 -4.98953 -19.4727 TIMING: 1381200 CPU: 4157.17, 0.00297158/step Wall: 4157.17, 0.00297158/step, 2.98709 hours remaining, 206.406250 MB of memory in use. ENERGY: 1381200 717.6392 2099.6219 1921.4177 118.1703 -205818.6040 17405.0952 0.0000 0.0000 34283.1695 -149273.4901 299.4034 -183556.6596 -149176.8404 298.9590 -204.5119 -169.8697 556173.4334 -6.8582 -6.8333 PRESSURE: 1381400 233.675 22.5572 -50.3911 22.5581 -13.5476 -70.9232 -50.3904 -70.9225 61.7744 GPRESSURE: 1381400 221.661 -22.4834 24.092 53.6538 37.2261 -57.0852 5.55186 9.49011 118.594 PRESSAVG: 1381400 48.7098 19.8691 -15.4761 19.8691 -31.9932 -21.6135 -15.4761 -21.6135 18.6961 GPRESSAVG: 1381400 48.6747 18.0063 -16.66 18.7136 -31.5152 -19.9749 -16.7825 -22.6033 18.4418 TIMING: 1381400 CPU: 4157.77, 0.00298268/step Wall: 4157.77, 0.00298268/step, 2.99809 hours remaining, 206.406250 MB of memory in use. ENERGY: 1381400 706.0325 2083.0320 1910.5714 109.9660 -206069.8922 17673.8128 0.0000 0.0000 34367.5949 -149218.8825 300.1408 -183586.4774 -149124.4925 299.3617 93.9674 125.8269 556734.5925 11.8042 11.8671 PRESSURE: 1381600 59.4402 -22.7658 -66.7875 -22.7667 45.0573 147.414 -66.7873 147.414 -150.614 GPRESSURE: 1381600 92.9678 -43.391 -113.493 -125.137 49.8454 156.072 -74.4957 126.875 -89.6694 PRESSAVG: 1381600 6.57622 -17.8947 20.4074 -17.8947 43.8523 -1.92104 20.4075 -1.92104 2.42158 GPRESSAVG: 1381600 5.68337 -16.3798 18.7866 -19.1009 43.0868 -1.7986 21.9355 -1.13466 3.90128 TIMING: 1381600 CPU: 4158.37, 0.00301047/step Wall: 4158.37, 0.00301047/step, 3.02586 hours remaining, 206.406250 MB of memory in use. ENERGY: 1381600 730.3232 2132.7931 1917.4371 131.3447 -206497.9858 18000.4569 0.0000 0.0000 34307.7869 -149277.8439 299.6184 -183585.6308 -149189.1064 299.1093 -15.3723 17.7146 557373.8059 17.6167 17.5572 PRESSURE: 1381800 -227.242 150.596 -151.868 150.596 -254.466 51.1707 -151.868 51.1707 -258.944 GPRESSURE: 1381800 -201.478 155.066 -142.44 145.408 -236.846 -54.0168 -35.5102 35.8897 -197.672 PRESSAVG: 1381800 26.9207 28.9932 -51.1095 28.9932 23.1079 43.4158 -51.1095 43.4157 -48.3282 GPRESSAVG: 1381800 26.8425 28.0849 -48.7323 30.2732 24.3094 44.5101 -52.5229 41.8551 -49.5726 TIMING: 1381800 CPU: 4158.98, 0.0030407/step Wall: 4158.98, 0.0030407/step, 3.05607 hours remaining, 206.406250 MB of memory in use. ENERGY: 1381800 709.2544 2050.3362 1909.2805 120.3148 -205697.4141 17418.9217 0.0000 0.0000 34169.8923 -149319.4143 298.4142 -183489.3066 -149219.4833 298.6875 -246.8839 -211.9987 558553.6694 0.5668 0.5264 PRESSURE: 1382000 309.271 112.447 -82.7436 112.447 23.23 21.4938 -82.7428 21.4918 24.8999 GPRESSURE: 1382000 321.545 102.282 -188.162 138.668 81.2801 -66.1134 -101.162 49.8724 65.2365 PRESSAVG: 1382000 -8.18841 91.0921 -5.40331 91.0921 -13.232 12.2874 -5.40333 12.2873 -30.3176 GPRESSAVG: 1382000 -8.07663 91.7078 -6.37011 91.1226 -14.2535 12.8685 -3.93528 14.0605 -29.8027 TIMING: 1382000 CPU: 4159.58, 0.00302237/step Wall: 4159.58, 0.00302237/step, 3.03748 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: 1382000 714.9322 2094.4223 1912.9798 114.8385 -206611.2913 18153.3208 0.0000 0.0000 34319.2028 -149301.5949 299.7181 -183620.7977 -149199.7182 298.8002 119.1338 156.0205 558015.2622 -17.2460 -17.3776 PRESSURE: 1382200 63.2552 5.22118 -132.742 5.22254 -115.527 -31.3995 -132.743 -31.4008 209.49 GPRESSURE: 1382200 89.2134 -21.9882 -267.265 -20.2499 -56.7774 19.9756 -32.975 -21.6079 227.884 PRESSAVG: 1382200 8.14213 53.7918 -29.6691 53.7919 -16.3866 25.2834 -29.6691 25.2834 -22.8907 GPRESSAVG: 1382200 8.12533 54.1025 -29.0764 53.7029 -16.4314 24.3499 -29.2022 24.0473 -22.1611 TIMING: 1382200 CPU: 4160.19, 0.00302058/step Wall: 4160.19, 0.00302058/step, 3.03551 hours remaining, 206.406250 MB of memory in use. ENERGY: 1382200 731.1222 2064.6757 1918.8118 115.4715 -206231.5122 17921.4120 0.0000 0.0000 34100.2316 -149379.7875 297.8058 -183480.0191 -149279.2515 298.6620 52.4059 86.7734 558474.9854 -10.3784 -10.1557 PRESSURE: 1382400 -249.692 -4.52681 45.8223 -4.52561 -73.925 -4.21848 45.8208 -4.21746 45.3981 GPRESSURE: 1382400 -195.985 -43.4806 56.9494 18.1721 -149.724 -70.0641 18.7119 22.4335 168.884 PRESSAVG: 1382400 25.655 31.9894 -7.64755 31.9895 10.5214 40.3921 -7.64766 40.3921 1.2923 GPRESSAVG: 1382400 26.467 31.9636 -8.97851 32.4478 10.3832 38.0556 -8.13903 42.0294 1.07821 TIMING: 1382400 CPU: 4160.8, 0.0030488/step Wall: 4160.8, 0.0030488/step, 3.06371 hours remaining, 206.406250 MB of memory in use. ENERGY: 1382400 761.3921 2090.7722 1925.7625 117.9572 -206297.7625 17705.5430 0.0000 0.0000 34341.7988 -149354.5366 299.9155 -183696.3355 -149253.4458 298.7449 -92.7395 -58.9418 558278.8783 12.4896 12.6428 PRESSURE: 1382600 -206.514 -119.137 -108.914 -119.138 101.28 132.641 -108.915 132.64 109.215 GPRESSURE: 1382600 -208.96 -191.382 -89.1064 12.3672 152.776 222.576 -102.82 84.0576 160.141 PRESSAVG: 1382600 -5.62924 24.5749 -10.5453 24.575 -0.795952 8.35591 -10.5454 8.35602 13.4993 GPRESSAVG: 1382600 -4.23296 20.9265 -11.0861 26.2051 -0.362092 11.9541 -10.704 5.95333 11.4925 TIMING: 1382600 CPU: 4161.41, 0.00306761/step Wall: 4161.41, 0.00306761/step, 3.08244 hours remaining, 206.406250 MB of memory in use. ENERGY: 1382600 729.0817 2068.9764 1921.9637 124.7498 -206234.9855 17845.9437 0.0000 0.0000 34179.0985 -149365.1717 298.4946 -183544.2703 -149272.0745 299.2838 1.3272 34.6520 558192.0418 2.3580 2.2991 PRESSURE: 1382800 -197.532 30.327 208.483 30.3286 -213.055 41.3785 208.483 41.378 56.1419 GPRESSURE: 1382800 -146.63 -29.3724 255.232 64.6045 -116.971 26.6456 97.3755 86.4033 8.28763 PRESSAVG: 1382800 -2.99285 -13.3281 30.9304 -13.3281 -11.2721 -16.4361 30.9304 -16.4361 33.4525 GPRESSAVG: 1382800 -4.29603 -9.5525 32.4604 -16.8 -11.6886 -16.4072 33.3831 -15.136 35.1464 TIMING: 1382800 CPU: 4162.02, 0.00306539/step Wall: 4162.02, 0.00306539/step, 3.08003 hours remaining, 206.406250 MB of memory in use. ENERGY: 1382800 752.6486 2021.9917 1930.9006 108.6228 -205883.6089 17668.1526 0.0000 0.0000 34095.6324 -149305.6601 297.7656 -183401.2925 -149204.3921 298.7596 -118.1484 -85.1044 558653.9271 6.3958 6.3872 PRESSURE: 1383000 -3.72991 -44.7604 -126.916 -44.7592 -208.595 205.372 -126.917 205.371 43.4624 GPRESSURE: 1383000 11.0716 -90.4634 -62.4633 2.47143 -130.667 258.949 -167.418 149.095 51.828 PRESSAVG: 1383000 10.117 17.0578 17.9975 17.0578 -30.6818 82.423 17.9975 82.423 -23.7717 GPRESSAVG: 1383000 8.52051 15.7423 15.4993 19.8605 -29.2948 79.6258 17.2119 81.1796 -23.8843 TIMING: 1383000 CPU: 4162.64, 0.00308526/step Wall: 4162.64, 0.00308526/step, 3.09983 hours remaining, 206.406250 MB of memory in use. ENERGY: 1383000 765.1262 2035.2689 1921.8043 116.5722 -206074.6264 17802.4741 0.0000 0.0000 34225.4515 -149207.9291 298.8994 -183433.3807 -149113.4810 299.0476 -56.2876 -22.5891 558798.1117 -14.7788 -14.8862 PRESSURE: 1383200 52.0708 -97.5654 119.054 -97.5648 60.7048 113.885 119.054 113.885 -161.131 GPRESSURE: 1383200 104.414 -102.406 90.673 -185.435 41.7501 90.1998 115.39 89.2513 -96.9619 PRESSAVG: 1383200 36.1809 7.43737 33.8782 7.43743 34.1877 18.0798 33.8782 18.0797 -60.6864 GPRESSAVG: 1383200 36.9112 7.40464 35.2968 6.71476 33.8286 18.2576 33.9846 18.4473 -61.3781 TIMING: 1383200 CPU: 4163.25, 0.00304965/step Wall: 4163.25, 0.00304965/step, 3.06388 hours remaining, 206.406250 MB of memory in use. ENERGY: 1383200 751.8868 2081.3925 1899.7415 100.8457 -206092.2100 17730.8663 0.0000 0.0000 34478.9931 -149048.4840 301.1136 -183527.4771 -148954.6920 299.8372 -16.1185 16.4007 558143.3798 3.2274 3.1206 PRESSURE: 1383400 -134.561 -22.9377 68.0912 -22.938 -312.627 12.6157 68.0913 12.615 -200.157 GPRESSURE: 1383400 -20.2468 -47.3559 64.4254 -51.8268 -316.329 76.8827 46.0696 16.3679 -210.698 PRESSAVG: 1383400 18.4935 19.503 9.82729 19.5029 29.697 -10.9317 9.82729 -10.9318 -27.8013 GPRESSAVG: 1383400 18.0933 21.0434 11.612 19.6918 30.3621 -10.0881 9.06316 -9.53105 -28.0352 TIMING: 1383400 CPU: 4163.86, 0.00303266/step Wall: 4163.86, 0.00303266/step, 3.04664 hours remaining, 206.406250 MB of memory in use. ENERGY: 1383400 722.7150 2053.4500 1967.3971 121.4830 -205904.4537 17494.8434 0.0000 0.0000 34436.8617 -149107.7036 300.7457 -183544.5653 -149007.8333 299.9490 -215.7817 -182.4248 558645.2995 6.7964 6.8067 PRESSURE: 1383600 48.0861 0.241235 -61.3795 0.241488 -414.857 38.0737 -61.3791 38.075 -150.38 GPRESSURE: 1383600 23.5568 12.0702 -91.7592 42.2673 -342.5 103.201 21.2059 7.91069 -92.8295 PRESSAVG: 1383600 -21.6169 9.35551 -23.5323 9.35548 3.15007 -25.7105 -23.5322 -25.7103 -9.2124 GPRESSAVG: 1383600 -21.5414 8.89993 -24.6488 8.33711 2.97832 -25.5823 -23.3055 -27.5232 -9.34092 TIMING: 1383600 CPU: 4164.47, 0.00304468/step Wall: 4164.47, 0.00304468/step, 3.05855 hours remaining, 206.406250 MB of memory in use. ENERGY: 1383600 744.2185 2057.2759 1933.4769 116.1655 -205849.8095 17434.9798 0.0000 0.0000 34401.6187 -149162.0742 300.4379 -183563.6930 -149065.6881 299.7677 -172.3835 -137.2576 557862.5697 -9.2264 -9.3013 PRESSURE: 1383800 -33.3539 -77.2784 -44.8219 -77.2776 99.3539 183.062 -44.8224 183.062 111.2 GPRESSURE: 1383800 36.6086 -102.927 -120.058 -82.1644 99.1297 244.561 -39.1805 129.209 138.167 PRESSAVG: 1383800 -40.6916 63.5749 -14.8851 63.5748 -52.7506 16.1148 -14.8851 16.1149 53.5014 GPRESSAVG: 1383800 -39.3346 60.9816 -13.5459 63.4099 -54.7801 16.4464 -14.2713 16.8748 54.095 TIMING: 1383800 CPU: 4165.07, 0.00302464/step Wall: 4165.07, 0.00302464/step, 3.03825 hours remaining, 206.406250 MB of memory in use. ENERGY: 1383800 719.1387 2083.2402 1917.4703 120.6119 -206160.2390 17879.4762 0.0000 0.0000 34371.5579 -149068.7439 300.1754 -183440.3018 -148973.7306 298.9683 59.0667 91.3016 557843.4215 -13.3136 -13.3399 PRESSURE: 1384000 163.894 10.8212 -215.416 10.8207 -90.1294 11.5104 -215.417 11.5123 -115.875 GPRESSURE: 1384000 169.859 -2.67985 -197.312 -52.5492 -33.8164 52.9751 -157.353 -26.3726 -84.5187 PRESSAVG: 1384000 -8.45611 -31.694 -55.7529 -31.694 -2.49561 15.5297 -55.7529 15.5297 -12.955 GPRESSAVG: 1384000 -8.33517 -30.0727 -55.4357 -31.3387 -2.11855 15.8804 -57.291 14.5097 -13.203 TIMING: 1384000 CPU: 4165.68, 0.00302747/step Wall: 4165.68, 0.00302747/step, 3.04093 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: 1384000 756.1011 2102.5897 1923.9919 124.8301 -205896.5626 17785.0928 0.0000 0.0000 34183.8434 -149020.1136 298.5360 -183203.9570 -148924.8534 299.3986 -14.0371 17.1745 558913.0103 -7.9689 -7.8856 PRESSURE: 1384200 312.775 -102.136 69.3851 -102.136 22.3841 -18.9284 69.385 -18.9275 123.419 GPRESSURE: 1384200 377.291 -154.655 -10.4355 -3.8271 35.0595 -38.6104 112.121 29.2476 138.059 PRESSAVG: 1384200 0.16233 2.00395 -16.659 2.00391 -16.2851 36.9709 -16.6591 36.9708 35.751 GPRESSAVG: 1384200 -0.796415 0.921427 -17.2846 5.03363 -15.0438 36.7227 -15.0142 39.5796 36.1784 TIMING: 1384200 CPU: 4166.29, 0.00304852/step Wall: 4166.29, 0.00304852/step, 3.0619 hours remaining, 206.406250 MB of memory in use. ENERGY: 1384200 755.5700 2105.7221 1911.4647 121.1358 -206538.9634 18232.6529 0.0000 0.0000 34349.6254 -149062.7924 299.9838 -183412.4179 -148967.5299 299.6861 152.8592 183.4699 556740.7715 6.5428 6.7794 LDB: ============= START OF LOAD BALANCING ============== 4169.81 LDB: ============== END OF LOAD BALANCING =============== 4169.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4169.81 LDB: ============= START OF LOAD BALANCING ============== 4170.11 LDB: Largest compute 4800 load 0.030498 is 25.9% of average load 0.117842 LDB: Average compute 0.001738 is 1.5% of average load 0.117842 LDB: TIME 4170.11 LOAD: AVG 0.117842 MAX 0.216229 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.359 MB LDB: TIME 4170.11 LOAD: AVG 0.117842 MAX 0.216229 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.562 MB LDB: TIME 4170.11 LOAD: AVG 0.117842 MAX 0.216229 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.562 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4170.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4170.12 PRESSURE: 1384400 -180.881 20.1071 -46.0827 20.1073 50.9727 28.1812 -46.0821 28.1804 142.503 GPRESSURE: 1384400 -135.341 67.9549 -56.7455 14.9077 53.1055 46.1553 -62.2018 149.054 191.009 PRESSAVG: 1384400 7.59748 28.9667 23.0083 28.9667 -0.682819 5.87296 23.0084 5.87295 57.3001 GPRESSAVG: 1384400 7.68725 30.5993 24.0161 26.8256 -0.539928 5.86513 21.9524 4.95938 56.8015 TIMING: 1384400 CPU: 4166.9, 0.00308281/step Wall: 4166.9, 0.00308281/step, 3.09617 hours remaining, 208.273438 MB of memory in use. ENERGY: 1384400 760.6120 2128.1322 1928.0852 98.3801 -205924.8390 17699.5821 0.0000 0.0000 34261.3177 -149048.7296 299.2126 -183310.0473 -148959.3449 299.3939 4.1979 36.2579 557810.1681 21.4049 21.3163 PRESSURE: 1384600 -185.677 27.345 -124.308 27.3444 -242.015 -2.8472 -124.308 -2.84707 -258.304 GPRESSURE: 1384600 -163.564 -21.3854 -116.994 109.257 -242.694 -96.7303 -129.427 -20.0819 -184.983 PRESSAVG: 1384600 -79.138 -60.14 6.13402 -60.14 19.9794 -17.4184 6.13413 -17.4184 40.9875 GPRESSAVG: 1384600 -78.5992 -62.198 3.90855 -58.8513 18.8979 -17.7384 7.01613 -18.8507 41.7624 TIMING: 1384600 CPU: 4167.5, 0.00301418/step Wall: 4167.5, 0.00301418/step, 3.02707 hours remaining, 208.343750 MB of memory in use. ENERGY: 1384600 796.8309 2086.8992 1925.5683 122.2251 -205733.5874 17440.0139 0.0000 0.0000 34284.2206 -149077.8295 299.4126 -183362.0501 -148977.0410 299.2026 -228.6651 -197.0800 557633.3191 -6.0570 -5.9796 PRESSURE: 1384800 163.619 69.4058 -70.9727 69.4054 -335.222 109.955 -70.9735 109.954 74.2388 GPRESSURE: 1384800 195.696 80.9798 -152.813 119.545 -238.582 140.186 -47.2077 148.124 40.6977 PRESSAVG: 1384800 -11.4572 -6.67008 21.4999 -6.67004 15.8131 -14.6167 21.5 -14.6166 26.8596 GPRESSAVG: 1384800 -11.2181 -4.44712 21.5553 -8.0137 16.8337 -14.486 21.6042 -12.6099 26.0599 TIMING: 1384800 CPU: 4168.12, 0.00306086/step Wall: 4168.12, 0.00306086/step, 3.07379 hours remaining, 208.343750 MB of memory in use. ENERGY: 1384800 761.0372 2080.7513 1928.9701 116.1012 -206082.9250 17784.7974 0.0000 0.0000 34110.1516 -149301.1161 297.8924 -183411.2677 -149207.3408 298.8886 -32.4548 -0.7297 555965.8777 10.4052 10.5585 PRESSURE: 1385000 21.3251 60.0641 -146.028 60.0653 -22.0641 -108.79 -146.029 -108.789 -75.1426 GPRESSURE: 1385000 57.3555 -7.07829 -13.0762 84.3206 43.2094 -32.8983 -198.933 -167.786 -70.2349 PRESSAVG: 1385000 -19.5294 -19.7715 -57.4545 -19.7716 54.0278 -8.88686 -57.4545 -8.88687 -33.0087 GPRESSAVG: 1385000 -19.9907 -20.3632 -56.5915 -20.348 54.3189 -8.85476 -57.9949 -11.0186 -32.3727 TIMING: 1385000 CPU: 4168.72, 0.00303366/step Wall: 4168.72, 0.00303366/step, 3.0463 hours remaining, 208.343750 MB of memory in use. ENERGY: 1385000 733.1836 2035.4153 1919.6955 123.9256 -206536.1717 17815.1836 0.0000 0.0000 34453.0175 -149455.7506 300.8868 -183908.7681 -149354.4931 298.6917 -25.2939 10.1100 556974.7989 0.4966 0.6518 PRESSURE: 1385200 19.0738 -11.435 -235.027 -11.434 -115.254 -49.1326 -235.026 -49.1321 -122.909 GPRESSURE: 1385200 39.2754 -92.4926 -323.616 24.9108 -35.2124 -26.7966 -122.707 -64.5051 -123.491 PRESSAVG: 1385200 22.1076 4.07909 -15.357 4.07912 -4.09329 -4.58083 -15.3571 -4.58085 0.582614 GPRESSAVG: 1385200 20.7713 4.05597 -15.9411 4.01934 -3.0294 -6.4795 -14.8936 -2.66363 0.709657 TIMING: 1385200 CPU: 4169.33, 0.00305272/step Wall: 4169.33, 0.00305272/step, 3.06527 hours remaining, 208.343750 MB of memory in use. ENERGY: 1385200 725.9359 2057.3669 1923.2731 108.2789 -205978.9932 17603.1308 0.0000 0.0000 34186.7812 -149374.2263 298.5617 -183561.0076 -149278.6971 298.8462 -73.0296 -39.8094 557305.9189 6.1990 6.1505 PRESSURE: 1385400 86.5304 -27.3497 16.1303 -27.3504 70.4621 314.382 16.1296 314.383 -121.111 GPRESSURE: 1385400 175.133 -32.6615 85.9847 74.8419 37.6647 366.665 5.79151 322.012 -84.596 PRESSAVG: 1385400 7.17283 13.8888 31.6641 13.8887 36.0896 48.5007 31.6642 48.5007 -78.6729 GPRESSAVG: 1385400 8.29465 13.2705 33.279 14.9797 34.225 50.5681 30.0897 46.8613 -77.7441 TIMING: 1385400 CPU: 4169.94, 0.00302911/step Wall: 4169.94, 0.00302911/step, 3.0414 hours remaining, 208.343750 MB of memory in use. ENERGY: 1385400 726.4309 2092.2459 1918.7419 118.0328 -206529.1425 17944.7070 0.0000 0.0000 34348.3223 -149380.6616 299.9724 -183728.9840 -149287.2777 299.2285 11.9603 42.7338 557413.4397 -11.8035 -11.7415 PRESSURE: 1385600 -226.121 -297.093 36.1769 -297.092 91.7225 -52.8114 36.177 -52.8123 27.6879 GPRESSURE: 1385600 -149.386 -263.16 11.39 -287.77 160.733 -18.7304 88.7738 -13.9237 -21.2803 PRESSAVG: 1385600 43.3438 -8.91271 -1.63298 -8.91276 61.8675 50.7287 -1.63296 50.7288 -107.82 GPRESSAVG: 1385600 42.3371 -6.96833 -2.40404 -10.6879 63.3719 49.0554 -0.917021 51.1989 -108.245 TIMING: 1385600 CPU: 4170.55, 0.00303472/step Wall: 4170.55, 0.00303472/step, 3.04686 hours remaining, 208.343750 MB of memory in use. ENERGY: 1385600 766.6261 2077.2984 1929.9345 110.7432 -206000.9363 17483.3928 0.0000 0.0000 34302.2024 -149330.7388 299.5697 -183632.9412 -149236.7058 299.2777 -35.5702 -3.3111 556721.9124 -0.8697 -0.8454 PRESSURE: 1385800 64.5393 -39.9436 109.41 -39.9448 119.93 -97.7793 109.41 -97.778 -217.66 GPRESSURE: 1385800 180.515 -23.5418 21.7973 -27.108 89.2306 -108.45 107.481 -74.7406 -211.801 PRESSAVG: 1385800 -11.2561 35.6651 -31.7662 35.6652 61.8015 -4.89696 -31.7662 -4.89688 -25.4281 GPRESSAVG: 1385800 -10.2566 35.7826 -30.8505 36.5977 60.2277 -3.18212 -31.3231 -4.05232 -25.2412 TIMING: 1385800 CPU: 4171.15, 0.00300396/step Wall: 4171.15, 0.00300396/step, 3.0158 hours remaining, 208.343750 MB of memory in use. ENERGY: 1385800 764.7629 2093.4400 1913.8777 113.2478 -206415.9206 17827.3142 0.0000 0.0000 34315.1582 -149388.1199 299.6828 -183703.2781 -149289.2403 298.5257 -11.0633 19.3148 555094.9753 8.3724 8.2433 PRESSURE: 1386000 72.6301 133.022 -74.4677 133.023 40.1693 -74.5734 -74.4671 -74.5735 1.39127 GPRESSURE: 1386000 39.0921 68.6963 -102.382 88.4091 103.066 -154.759 -71.6475 0.0766056 61.2237 PRESSAVG: 1386000 9.5011 -11.6713 -32.5329 -11.6713 75.5968 -13.3814 -32.533 -13.3814 -55.2123 GPRESSAVG: 1386000 10.3577 -11.2925 -33.5944 -12.4963 74.4337 -14.2408 -31.8163 -13.0783 -55.1989 TIMING: 1386000 CPU: 4171.75, 0.0030036/step Wall: 4171.75, 0.0030036/step, 3.01528 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: 1386000 700.4580 2116.6575 1941.5456 113.2386 -206301.3468 17849.0387 0.0000 0.0000 34146.2289 -149434.1795 298.2075 -183580.4084 -149330.1413 298.9757 38.0635 67.7938 556869.3143 9.9619 9.8642 PRESSURE: 1386200 8.57716 -100.253 4.46618 -100.254 -172.835 132.764 4.46607 132.763 -136.581 GPRESSURE: 1386200 29.3719 -21.3054 -39.1195 -121.552 -171.528 71.3218 12.2701 165.88 -46.3204 PRESSAVG: 1386200 24.9202 22.9514 -94.6935 22.9514 -6.00904 3.17654 -94.6935 3.17661 33.6263 GPRESSAVG: 1386200 25.0983 23.8628 -96.3632 21.9052 -4.60173 3.46167 -95.362 3.19221 32.3465 TIMING: 1386200 CPU: 4172.35, 0.0030287/step Wall: 4172.35, 0.0030287/step, 3.04031 hours remaining, 208.343750 MB of memory in use. ENERGY: 1386200 745.5890 2115.1426 1927.1761 118.2875 -206395.2356 17801.1375 0.0000 0.0000 34211.4207 -149476.4821 298.7768 -183687.9029 -149381.0619 298.7114 -100.2795 -62.8255 557887.3116 17.5125 17.6144 PRESSURE: 1386400 -303.697 -64.0668 -95.5909 -64.0663 -398.866 18.5736 -95.5915 18.573 -207.199 GPRESSURE: 1386400 -266.727 -60.2989 -108.928 -42.6011 -348.898 43.8955 -90.8892 37.4906 -192.279 PRESSAVG: 1386400 -26.5458 5.28183 8.70935 5.28191 14.5108 -4.41426 8.70924 -4.41432 34.8207 GPRESSAVG: 1386400 -27.1063 2.70967 9.83281 7.28153 14.2247 -2.72419 7.75673 -7.43266 35.595 TIMING: 1386400 CPU: 4172.96, 0.00302953/step Wall: 4172.96, 0.00302953/step, 3.04098 hours remaining, 208.343750 MB of memory in use. ENERGY: 1386400 787.0387 2055.6775 1955.2662 113.7595 -206233.6605 17628.1651 0.0000 0.0000 34145.0376 -149548.7159 298.1971 -183693.7534 -149447.9114 298.8499 -303.2540 -269.3015 559748.0029 7.5952 7.5711 PRESSURE: 1386600 -41.1074 125.591 -115.127 125.591 -192.099 -2.52221 -115.127 -2.52164 -130.081 GPRESSURE: 1386600 -8.40483 149.086 -79.1968 169.654 -196.507 13.0253 -100.478 -134.882 -51.8804 PRESSAVG: 1386600 2.0195 -33.9011 -37.7611 -33.9012 -30.7436 -16.4312 -37.7612 -16.4313 24.723 GPRESSAVG: 1386600 0.367506 -30.9324 -38.2797 -36.6358 -29.7842 -18.2979 -36.1984 -16.7864 25.2523 TIMING: 1386600 CPU: 4173.56, 0.00301775/step Wall: 4173.56, 0.00301775/step, 3.02899 hours remaining, 208.343750 MB of memory in use. ENERGY: 1386600 765.0103 2077.0266 1945.1758 107.4914 -206872.9557 17899.7417 0.0000 0.0000 34411.8242 -149666.6856 300.5270 -184078.5098 -149566.3392 298.8054 -121.0956 -85.5973 557107.0166 -1.3337 -1.3881 PRESSURE: 1386800 148.346 6.52356 -93.409 6.52344 57.9257 38.3453 -93.409 38.3472 326.613 GPRESSURE: 1386800 158.451 -31.2797 -118.157 41.0116 119.092 -3.12101 -105.864 137.328 366.991 PRESSAVG: 1386800 -9.58815 -0.113104 -46.7404 -0.113166 7.79281 8.28361 -46.7404 8.28365 39.0637 GPRESSAVG: 1386800 -9.60836 -2.8341 -46.1684 2.97901 7.41265 8.46716 -48.5531 9.6942 39.4743 TIMING: 1386800 CPU: 4174.17, 0.00300978/step Wall: 4174.17, 0.00300978/step, 3.02082 hours remaining, 208.343750 MB of memory in use. ENERGY: 1386800 724.7166 2106.7204 1932.5611 117.0795 -206784.8047 18119.2872 0.0000 0.0000 34141.6441 -149642.7958 298.1675 -183784.4399 -149544.8646 298.7972 177.6284 214.8444 557412.4178 12.4228 12.4262 PRESSURE: 1387000 -274.66 -86.1363 -45.8351 -86.1355 37.2535 -68.8793 -45.8359 -68.8788 -379.175 GPRESSURE: 1387000 -244.287 -54.9879 100.848 -71.2699 -14.2594 -106.552 -160.74 -20.1833 -270.999 PRESSAVG: 1387000 -10.7952 33.4121 -0.860159 33.4122 -43.2648 72.8402 -0.860135 72.8402 16.4048 GPRESSAVG: 1387000 -9.38681 34.2659 2.0965 35.6534 -43.7285 72.3601 -0.160912 74.6271 15.5023 TIMING: 1387000 CPU: 4174.77, 0.00300077/step Wall: 4174.77, 0.00300077/step, 3.0116 hours remaining, 208.343750 MB of memory in use. ENERGY: 1387000 758.0451 2074.6597 1939.4975 129.7063 -206187.0357 17564.7015 0.0000 0.0000 34024.6176 -149695.8081 297.1454 -183720.4256 -149603.0136 298.5099 -205.5272 -176.5148 557779.8058 -12.5517 -12.5377 PRESSURE: 1387200 79.5307 33.1991 -137.758 33.199 -46.3999 101.301 -137.759 101.301 7.46845 GPRESSURE: 1387200 163.794 -108.876 -126.878 85.6839 4.02614 133.86 -102.604 135.329 -38.1156 PRESSAVG: 1387200 -1.97671 -42.2572 31.6595 -42.2572 -23.802 29.7928 31.6595 29.7929 23.1245 GPRESSAVG: 1387200 -1.7746 -41.9819 28.3172 -44.4152 -23.6555 31.4292 32.4811 28.6533 22.8778 TIMING: 1387200 CPU: 4175.37, 0.00302506/step Wall: 4175.37, 0.00302506/step, 3.03582 hours remaining, 208.343750 MB of memory in use. ENERGY: 1387200 773.2973 2068.3315 1923.8866 133.4462 -206388.2141 17962.9083 0.0000 0.0000 33946.2596 -149580.0846 296.4611 -183526.3442 -149482.4360 298.4030 13.5331 43.2349 558108.9287 -0.8848 -0.8508 PRESSURE: 1387400 222.369 205.57 55.173 205.57 154.22 -40.6352 55.173 -40.6354 261.459 GPRESSURE: 1387400 253.209 259.448 30.9109 78.0821 192.744 -33.5818 0.0494043 -34.8512 297.598 PRESSAVG: 1387400 -11.7444 10.5019 -7.25037 10.502 -1.22951 27.9022 -7.25044 27.9022 -18.9193 GPRESSAVG: 1387400 -11.0262 10.1865 -5.30712 10.6749 -1.29068 27.7689 -8.2945 28.1003 -18.7998 TIMING: 1387400 CPU: 4175.98, 0.00305939/step Wall: 4175.98, 0.00305939/step, 3.0701 hours remaining, 208.343750 MB of memory in use. ENERGY: 1387400 715.9430 2045.7890 1906.0225 113.1669 -206677.2478 18199.5750 0.0000 0.0000 34181.7780 -149514.9734 298.5180 -183696.7515 -149423.8131 298.3147 212.6829 247.8503 557956.7398 -10.6311 -10.3723 PRESSURE: 1387600 -119.914 4.64997 120.159 4.64903 -15.1922 11.3618 120.158 11.3603 -109.311 GPRESSURE: 1387600 -28.1087 16.3628 97.312 -50.5753 25.438 39.0655 112.733 -28.6594 -143.952 PRESSAVG: 1387600 -31.1228 -12.9822 30.9618 -12.9821 30.634 -22.9349 30.9618 -22.9348 -12.0624 GPRESSAVG: 1387600 -32.3483 -11.3017 28.9747 -12.7904 31.6453 -23.8786 32.0728 -23.8922 -12.1506 TIMING: 1387600 CPU: 4176.6, 0.00306505/step Wall: 4176.6, 0.00306505/step, 3.0756 hours remaining, 208.343750 MB of memory in use. ENERGY: 1387600 760.5264 2048.1992 1935.1583 108.8604 -206293.3082 17697.5976 0.0000 0.0000 34123.4982 -149619.4680 298.0090 -183742.9662 -149530.0663 298.2417 -81.4725 -48.8741 557988.8882 -4.1837 -4.2845 PRESSURE: 1387800 -69.5536 77.501 37.375 77.5008 292.787 -72.534 37.3766 -72.5327 299.915 GPRESSURE: 1387800 44.8582 -18.4189 156.136 208.564 308.197 -35.0675 -78.608 -90.8938 280.453 PRESSAVG: 1387800 -40.0148 25.4714 20.3062 25.4715 46.291 7.74757 20.3062 7.74753 -8.14052 GPRESSAVG: 1387800 -39.4231 23.7166 17.9425 26.2642 45.4245 8.00062 22.1966 8.68101 -7.71455 TIMING: 1387800 CPU: 4177.21, 0.00305932/step Wall: 4177.21, 0.00305932/step, 3.06969 hours remaining, 208.343750 MB of memory in use. ENERGY: 1387800 723.4802 2072.5450 1933.7751 118.4084 -206741.8652 18225.6285 0.0000 0.0000 34112.0056 -149556.0226 297.9086 -183668.0281 -149464.6188 298.2818 174.3831 211.1692 557202.3101 -0.6214 -0.5711 PRESSURE: 1388000 -262.022 31.8847 131.797 31.8838 22.3141 -26.9668 131.798 -26.9678 124.32 GPRESSURE: 1388000 -255.636 14.9845 69.8684 51.9463 55.3364 -71.0508 175.427 -24.5269 190.231 PRESSAVG: 1388000 -50.1555 19.4322 24.3253 19.4321 39.9848 -29.8717 24.3254 -29.8718 -13.026 GPRESSAVG: 1388000 -50.147 20.1621 26.3098 18.0271 39.8817 -29.0537 23.3949 -29.1944 -12.7091 TIMING: 1388000 CPU: 4177.82, 0.00304862/step Wall: 4177.82, 0.00304862/step, 3.05878 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: 1388000 731.7766 2065.8158 1964.0908 117.2283 -206297.4392 17765.3145 0.0000 0.0000 34217.1147 -149436.0984 298.8266 -183653.2131 -149339.0123 298.9922 -38.4624 -3.3562 558488.0412 -7.7322 -7.6581 PRESSURE: 1388200 49.1973 -66.7141 -47.2547 -66.7135 9.11278 221.711 -47.2542 221.712 95.627 GPRESSURE: 1388200 99.4586 -45.0179 54.7261 -17.0262 23.385 158.647 -133.59 142.647 118.054 PRESSAVG: 1388200 -2.71513 -7.72102 6.7783 -7.7211 18.7886 4.62768 6.77831 4.62775 19.681 GPRESSAVG: 1388200 -4.16343 -7.49207 7.49914 -6.6884 18.2912 4.45886 5.10084 2.09173 20.8126 TIMING: 1388200 CPU: 4178.43, 0.00305299/step Wall: 4178.43, 0.00305299/step, 3.063 hours remaining, 208.343750 MB of memory in use. ENERGY: 1388200 731.0773 2079.7559 1918.8537 109.1943 -206222.2476 17803.8708 0.0000 0.0000 34163.6974 -149415.7983 298.3601 -183579.4957 -149319.4853 298.5011 51.3124 80.2990 557666.7812 11.9182 11.6468 LDB: ============= START OF LOAD BALANCING ============== 4181.95 LDB: ============== END OF LOAD BALANCING =============== 4181.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4181.95 LDB: ============= START OF LOAD BALANCING ============== 4182.26 LDB: Largest compute 4800 load 0.030593 is 26.0% of average load 0.117867 LDB: Average compute 0.001735 is 1.5% of average load 0.117867 LDB: TIME 4182.26 LOAD: AVG 0.117867 MAX 0.220357 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.609 MB LDB: TIME 4182.26 LOAD: AVG 0.117867 MAX 0.220357 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.812 MB LDB: TIME 4182.26 LOAD: AVG 0.117867 MAX 0.220357 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.812 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4182.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4182.27 PRESSURE: 1388400 -226.452 7.61395 55.9543 7.61341 -272.636 25.1529 55.9539 25.1524 -165.469 GPRESSURE: 1388400 -184.787 -9.16415 50.3437 -11.651 -253.08 47.1725 74.3338 61.754 -115.583 PRESSAVG: 1388400 -36.2931 -40.1449 2.44524 -40.1449 8.73396 74.1608 2.44518 74.1607 21.5664 GPRESSAVG: 1388400 -35.8255 -41.0298 3.49114 -41.2391 8.78453 75.2174 4.21978 73.7648 21.0126 TIMING: 1388400 CPU: 4179.05, 0.00312921/step Wall: 4179.05, 0.00312921/step, 3.1393 hours remaining, 207.605469 MB of memory in use. ENERGY: 1388400 796.0982 2078.1551 1917.9683 109.7825 -205913.5349 17482.9209 0.0000 0.0000 34022.9403 -149505.6696 297.1308 -183528.6099 -149408.2868 298.3173 -221.5190 -184.4833 557939.1143 -1.9976 -2.0095 PRESSURE: 1388600 167.065 80.925 -124.454 80.9253 -74.0521 142.647 -124.456 142.649 158.964 GPRESSURE: 1388600 166.057 4.77983 -139.037 95.8344 -20.8746 167.514 -104.997 139.186 211.813 PRESSAVG: 1388600 5.25554 -19.6712 -25.738 -19.6712 -44.5497 -32.7336 -25.738 -32.7337 63.0191 GPRESSAVG: 1388600 6.44389 -20.6205 -25.2733 -18.7534 -44.3338 -33.0691 -26.6515 -31.6614 61.9276 TIMING: 1388600 CPU: 4179.67, 0.00309896/step Wall: 4179.67, 0.00309896/step, 3.10878 hours remaining, 208.078125 MB of memory in use. ENERGY: 1388600 739.2553 2128.6782 1941.7559 122.4285 -206456.4498 18002.4089 0.0000 0.0000 34218.5714 -149303.3515 298.8393 -183521.9229 -149218.9098 298.6667 83.9923 118.9984 556190.0977 7.9083 8.0125 PRESSURE: 1388800 -243.089 42.6857 -69.9592 42.6853 -428.921 -142.892 -69.9591 -142.891 -125.09 GPRESSURE: 1388800 -274.296 -36.0673 -61.9832 152.198 -309.497 -96.6713 -62.0631 -117.549 -131.171 PRESSAVG: 1388800 5.91676 36.5151 -9.03978 36.515 -39.9153 -40.678 -9.03969 -40.6779 13.2208 GPRESSAVG: 1388800 5.52614 35.7059 -10.0936 37.4835 -38.8814 -41.5131 -9.32259 -42.0766 12.4146 TIMING: 1388800 CPU: 4180.28, 0.00303182/step Wall: 4180.28, 0.00303182/step, 3.04126 hours remaining, 208.078125 MB of memory in use. ENERGY: 1388800 779.6744 2038.2843 1957.6426 121.0600 -205568.3570 17404.3752 0.0000 0.0000 34033.4961 -149233.8244 297.2230 -183267.3204 -149136.2140 299.3752 -265.7000 -238.3211 557221.5252 -6.9259 -6.9802 PRESSURE: 1389000 -124.435 92.8787 42.563 92.8784 -13.3447 -82.1021 42.5629 -82.1018 12.9936 GPRESSURE: 1389000 -95.6018 114.598 69.9972 31.468 0.820025 -116.124 40.7871 -48.6848 63.8644 PRESSAVG: 1389000 7.2366 61.861 -33.9612 61.8609 -6.07249 31.0388 -33.9611 31.0387 -16.1929 GPRESSAVG: 1389000 7.70802 64.1757 -35.2569 59.141 -7.88527 33.5892 -33.3333 32.3607 -14.7314 TIMING: 1389000 CPU: 4180.89, 0.00305722/step Wall: 4180.89, 0.00305722/step, 3.06657 hours remaining, 208.078125 MB of memory in use. ENERGY: 1389000 709.8892 2059.2979 1959.8298 118.6077 -206247.6641 17625.3066 0.0000 0.0000 34508.3046 -149266.4284 301.3696 -183774.7329 -149167.3403 299.6630 -41.5953 -10.3058 556188.6369 -5.0096 -4.9696 PRESSURE: 1389200 -53.9183 -51.8591 166.571 -51.8601 -54.0697 51.1912 166.57 51.1896 -83.3105 GPRESSURE: 1389200 15.3217 -32.4964 200.927 -85.3886 -86.1144 5.33498 118.295 -18.1886 -22.9719 PRESSAVG: 1389200 7.28866 77.0359 3.39998 77.0359 40.5696 4.566 3.4 4.56598 -7.99977 GPRESSAVG: 1389200 7.77656 74.8633 3.23597 77.9706 40.9657 2.56044 3.5405 4.79145 -8.48176 TIMING: 1389200 CPU: 4181.5, 0.00306445/step Wall: 4181.5, 0.00306445/step, 3.07364 hours remaining, 208.078125 MB of memory in use. ENERGY: 1389200 758.1429 2096.9478 1951.6238 105.5240 -206413.9920 17896.0200 0.0000 0.0000 34200.8168 -149404.9165 298.6842 -183605.7334 -149308.9907 299.2161 -63.7662 -31.2549 556814.5931 13.2862 13.4202 PRESSURE: 1389400 -29.5712 -17.5216 167.127 -17.5205 128.555 -15.8495 167.127 -15.8497 17.4815 GPRESSURE: 1389400 -6.32645 19.6285 197.906 -54.1038 214.44 55.6416 156.226 -45.3084 13.6551 PRESSAVG: 1389400 37.8151 7.03257 3.14863 7.03255 -62.1331 -9.27529 3.14869 -9.2753 -2.1723 GPRESSAVG: 1389400 37.0601 8.86631 5.0927 8.94513 -61.3465 -10.7802 1.42736 -8.91258 -1.81967 TIMING: 1389400 CPU: 4182.1, 0.00299665/step Wall: 4182.1, 0.00299665/step, 3.00548 hours remaining, 208.078125 MB of memory in use. ENERGY: 1389400 748.4161 2082.4811 1944.0712 115.5811 -206089.2605 17833.5002 0.0000 0.0000 34120.9209 -149244.2898 297.9865 -183365.2107 -149152.8051 298.7287 38.8216 73.9228 556141.1703 -8.8301 -8.7020 PRESSURE: 1389600 79.5613 96.1316 61.2308 96.1322 -72.958 -139.479 61.2296 -139.48 -93.9441 GPRESSURE: 1389600 97.7021 44.9118 139.699 93.9597 6.51422 -180.9 65.5555 -112.556 -85.444 PRESSAVG: 1389600 -37.3589 21.4507 36.7148 21.4507 23.6584 -58.5182 36.7149 -58.5182 29.3884 GPRESSAVG: 1389600 -36.281 22.0163 36.9876 18.7998 22.6469 -57.0441 38.6343 -58.4606 29.2388 TIMING: 1389600 CPU: 4182.71, 0.00302068/step Wall: 4182.71, 0.00302068/step, 3.02941 hours remaining, 208.078125 MB of memory in use. ENERGY: 1389600 731.3376 2083.1037 1942.1062 107.7788 -205934.4252 17671.7919 0.0000 0.0000 34182.5456 -149215.7613 298.5247 -183398.3069 -149111.8238 299.6965 -29.1136 6.2574 556549.6951 5.2293 5.2016 PRESSURE: 1389800 14.3837 -104.547 72.7152 -104.547 -46.4676 35.2262 72.7154 35.2251 -193.933 GPRESSURE: 1389800 51.9382 -73.8778 111.056 -100.744 -39.3877 -17.9357 37.8548 64.364 -138.967 PRESSAVG: 1389800 -52.9107 3.2314 -4.28319 3.23132 37.1795 -37.9428 -4.2832 -37.9427 13.085 GPRESSAVG: 1389800 -53.3872 2.29522 -3.9426 3.89542 36.5475 -38.7832 -5.35794 -39.0141 14.2731 TIMING: 1389800 CPU: 4183.32, 0.00305585/step Wall: 4183.32, 0.00305585/step, 3.06451 hours remaining, 208.078125 MB of memory in use. ENERGY: 1389800 725.0650 2068.7470 1931.2257 99.7117 -206183.9175 17790.5194 0.0000 0.0000 34435.6099 -149133.0389 300.7347 -183568.6489 -149038.2580 299.2944 -75.3389 -42.1390 558978.5656 -0.8821 -0.8555 PRESSURE: 1390000 172.332 -88.4792 -56.2289 -88.4794 190.709 176.52 -56.2279 176.52 124.008 GPRESSURE: 1390000 202.253 -127.675 -35.7405 23.8681 256.476 79.6803 -11.0679 217.243 119.055 PRESSAVG: 1390000 29.8497 9.13312 33.1793 9.13315 -2.49262 -29.1691 33.1793 -29.1691 -4.70599 GPRESSAVG: 1390000 28.3804 12.1148 31.3748 8.96101 -1.14167 -28.926 35.2042 -28.9387 -5.00816 TIMING: 1390000 CPU: 4183.92, 0.00303095/step Wall: 4183.92, 0.00303095/step, 3.03937 hours remaining, 208.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1390000 772.6774 2099.2248 1928.5557 111.1716 -206660.2360 18209.3375 0.0000 0.0000 34339.1751 -149200.0940 299.8926 -183539.2690 -149108.7310 298.9262 162.3499 192.5947 557051.4410 7.5504 7.4102 PRESSURE: 1390200 -64.8661 -68.643 -66.3176 -68.6431 -61.7083 45.7095 -66.317 45.7091 -117.733 GPRESSURE: 1390200 -19.7028 -115.645 -18.8827 -31.7304 -19.5386 30.3542 -138.21 81.1472 -99.0241 PRESSAVG: 1390200 81.779 -21.0157 19.2804 -21.0157 15.5124 12.8311 19.2804 12.8311 -100.684 GPRESSAVG: 1390200 83.2552 -23.4625 20.0379 -21.1186 14.8277 14.151 17.626 13.0482 -100.788 TIMING: 1390200 CPU: 4184.53, 0.00302959/step Wall: 4184.53, 0.00302959/step, 3.03784 hours remaining, 208.078125 MB of memory in use. ENERGY: 1390200 779.4173 2077.1884 1906.7181 112.2579 -206040.2896 17758.6509 0.0000 0.0000 34038.1642 -149367.8927 297.2638 -183406.0569 -149267.4165 298.4929 -81.4357 -46.0885 557574.2091 -1.1310 -0.9017 PRESSURE: 1390400 10.7681 -126.49 34.487 -126.49 134.898 45.1931 34.486 45.1937 62.678 GPRESSURE: 1390400 40.2353 -186.809 5.93356 -136.829 181.529 25.5267 -22.578 55.2254 87.8939 PRESSAVG: 1390400 57.0286 -43.8673 -10.5094 -43.8674 -7.64685 12.9487 -10.5093 12.9488 -24.2261 GPRESSAVG: 1390400 56.3129 -43.1901 -9.36743 -42.4777 -7.75595 10.8896 -13.5002 14.1002 -23.4181 TIMING: 1390400 CPU: 4185.13, 0.00301067/step Wall: 4185.13, 0.00301067/step, 3.0187 hours remaining, 208.078125 MB of memory in use. ENERGY: 1390400 706.9455 2110.8408 1955.1281 120.4919 -206484.3520 17895.3907 0.0000 0.0000 34252.7688 -149442.7862 299.1379 -183695.5550 -149344.2943 298.4265 69.4481 103.2195 556084.4607 8.3852 8.3796 PRESSURE: 1390600 -88.5987 107.886 1.80734 107.889 -20.8886 38.2002 1.80681 38.2006 -303.745 GPRESSURE: 1390600 -0.362366 139.037 -16.5418 2.87128 -58.7048 -11.2011 -24.0603 96.3754 -248.052 PRESSAVG: 1390600 31.4947 -45.4902 77.1363 -45.4903 -52.8319 -7.1712 77.1363 -7.17111 -13.1435 GPRESSAVG: 1390600 31.8504 -45.5501 74.7411 -46.0359 -53.1508 -5.50623 78.5705 -9.22684 -13.1826 TIMING: 1390600 CPU: 4185.74, 0.00302848/step Wall: 4185.74, 0.00302848/step, 3.03638 hours remaining, 208.078125 MB of memory in use. ENERGY: 1390600 782.4580 2114.3572 1950.5183 99.4981 -206060.9438 17728.0115 0.0000 0.0000 34018.8121 -149367.2886 297.0947 -183386.1007 -149272.6638 298.4266 -137.7440 -102.3731 558586.0454 -11.4936 -11.4944 PRESSURE: 1390800 125.677 -30.2017 -38.9005 -30.2015 -1.63847 -129.929 -38.901 -129.929 -160.743 GPRESSURE: 1390800 141.718 -53.607 28.9033 -3.10031 44.9315 -109.373 -66.9512 -85.2636 -133.128 PRESSAVG: 1390800 10.1477 -27.7893 30.9452 -27.7892 -4.84805 36.197 30.9452 36.1971 -24.8849 GPRESSAVG: 1390800 10.3181 -28.5013 34.3387 -26.7701 -4.87314 37.7812 29.306 38.5297 -25.2614 TIMING: 1390800 CPU: 4186.34, 0.00302246/step Wall: 4186.34, 0.00302246/step, 3.03018 hours remaining, 208.078125 MB of memory in use. ENERGY: 1390800 734.8666 2113.5312 1931.4976 116.6847 -206051.4833 17778.8957 0.0000 0.0000 34095.5583 -149280.4493 297.7650 -183376.0076 -149190.2508 298.2936 -12.2349 17.8405 558275.6753 -6.5284 -6.6055 PRESSURE: 1391000 344.203 81.3465 -32.1885 81.3467 68.6266 53.6298 -32.1887 53.6298 242.736 GPRESSURE: 1391000 406.132 109.864 8.00521 104.934 73.6736 125.928 76.1875 29.9594 279.039 PRESSAVG: 1391000 34.65 -16.2579 -2.50206 -16.2579 -33.5464 -12.2228 -2.502 -12.2228 0.921199 GPRESSAVG: 1391000 34.32 -15.3726 -4.96 -15.6855 -33.4451 -13.1695 0.592386 -13.0375 1.27217 TIMING: 1391000 CPU: 4186.95, 0.00304761/step Wall: 4186.95, 0.00304761/step, 3.05523 hours remaining, 208.078125 MB of memory in use. ENERGY: 1391000 746.0328 2073.5274 1954.8647 120.6109 -206675.8563 18268.7127 0.0000 0.0000 34387.8266 -149124.2813 300.3174 -183512.1079 -149029.7160 298.5628 218.5217 252.9481 558620.3670 0.6749 0.7157 PRESSURE: 1391200 114.75 88.3506 60.9116 88.3516 -89.6147 12.7583 60.9116 12.7586 52.9499 GPRESSURE: 1391200 125.62 176.548 -48.1514 87.5267 -47.5849 -32.0482 191.707 -25.5432 101.359 PRESSAVG: 1391200 14.2077 -3.30757 21.9677 -3.30758 -76.5877 31.4748 21.9677 31.4748 27.1833 GPRESSAVG: 1391200 13.5952 -3.96073 21.524 -2.87488 -76.274 31.4409 21.3119 30.5665 27.7175 TIMING: 1391200 CPU: 4187.56, 0.00303501/step Wall: 4187.56, 0.00303501/step, 3.04243 hours remaining, 208.078125 MB of memory in use. ENERGY: 1391200 728.8199 2048.1997 1942.0595 131.7793 -206128.9226 18055.3387 0.0000 0.0000 34268.4720 -148954.2535 299.2751 -183222.7255 -148858.7526 300.0990 26.0284 59.7982 560892.2542 -11.7322 -11.6538 PRESSURE: 1391400 -218.235 -46.7454 121.459 -46.7465 -107.46 -17.9737 121.459 -17.9731 -36.764 GPRESSURE: 1391400 -182.585 -116.227 131.153 -34.1009 -113.327 32.4799 132.373 -114.753 31.7276 PRESSAVG: 1391400 -57.0289 -49.3158 11.1184 -49.3158 12.0045 -18.2347 11.1184 -18.2347 94.1253 GPRESSAVG: 1391400 -56.3831 -50.9919 12.142 -51.2091 11.6159 -18.6556 9.01826 -17.3401 93.633 TIMING: 1391400 CPU: 4188.17, 0.00303401/step Wall: 4188.17, 0.00303401/step, 3.04125 hours remaining, 208.078125 MB of memory in use. ENERGY: 1391400 766.4284 2120.0197 1964.9819 119.3279 -205661.9685 17592.3482 0.0000 0.0000 34088.3970 -149010.4654 297.7024 -183098.8624 -148927.1530 299.4114 -120.8195 -88.0615 559436.9992 16.3670 16.2886 PRESSURE: 1391600 6.44486 70.0947 7.99832 70.0957 -88.7871 -44.1008 7.99911 -44.0992 107.724 GPRESSURE: 1391600 72.3318 58.3835 -43.0829 42.0752 -26.3602 -126.422 3.23011 9.93119 75.2159 PRESSAVG: 1391600 -8.06568 5.63512 -44.5778 5.63506 -16.5558 -47.1269 -44.5778 -47.1269 32.7684 GPRESSAVG: 1391600 -7.67178 7.32336 -45.301 5.6267 -16.2853 -48.1666 -43.7873 -45.4099 32.3219 TIMING: 1391600 CPU: 4188.78, 0.0030667/step Wall: 4188.78, 0.0030667/step, 3.07386 hours remaining, 208.078125 MB of memory in use. ENERGY: 1391600 763.4554 1997.9612 1935.5906 121.9989 -206167.6236 17942.4201 0.0000 0.0000 34379.0334 -149027.1638 300.2406 -183406.1973 -148928.7550 299.0586 8.4607 40.3958 559466.5177 2.7156 2.7883 PRESSURE: 1391800 -106.841 49.6278 -127.2 49.6293 242.583 64.4812 -127.2 64.4823 -10.8654 GPRESSURE: 1391800 -17.9842 46.0192 -202.994 -50.6819 235.794 85.8618 -113.949 -23.8212 2.58529 PRESSAVG: 1391800 -31.1988 16.1022 -26.3076 16.1023 49.0433 -52.0262 -26.3076 -52.0263 4.35692 GPRESSAVG: 1391800 -29.6547 15.8878 -26.9423 15.5091 48.0193 -49.5209 -23.4918 -55.4462 4.30835 TIMING: 1391800 CPU: 4189.39, 0.00304299/step Wall: 4189.39, 0.00304299/step, 3.04992 hours remaining, 208.078125 MB of memory in use. ENERGY: 1391800 759.3019 2064.8269 1943.7477 127.1487 -206178.2333 17904.2645 0.0000 0.0000 34313.8937 -149065.0500 299.6718 -183378.9437 -148961.4011 300.1529 41.6255 73.4652 558759.6841 7.4005 7.5576 PRESSURE: 1392000 170.678 -39.7271 11.3645 -39.7266 91.0685 134.797 11.3625 134.797 27.8435 GPRESSURE: 1392000 162.864 -35.6903 108.407 -61.3003 146.954 106.826 52.1629 65.3018 95.3455 PRESSAVG: 1392000 -6.5569 34.1995 1.55145 34.1994 26.7181 5.7193 1.55138 5.71927 -23.5851 GPRESSAVG: 1392000 -7.39316 34.9764 2.91051 36.5653 27.968 5.32679 2.35928 6.92366 -24.4962 TIMING: 1392000 CPU: 4189.99, 0.00302482/step Wall: 4189.99, 0.00302482/step, 3.03155 hours remaining, 208.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1392000 732.2141 2071.9390 1913.3444 110.9729 -206226.6901 17959.1446 0.0000 0.0000 34461.4023 -148977.6729 300.9600 -183439.0752 -148882.6638 299.6446 96.5301 135.0545 557104.0871 -1.1413 -1.3071 PRESSURE: 1392200 122.586 90.6235 -247.748 90.6244 47.6568 41.4642 -247.747 41.4651 -54.1851 GPRESSURE: 1392200 93.4986 102.522 -212.67 67.3881 109.87 41.041 -195.916 8.44388 -0.213013 PRESSAVG: 1392200 38.2633 38.7312 26.2112 38.7312 -14.893 9.86643 26.2113 9.86645 -1.01365 GPRESSAVG: 1392200 38.1991 39.4721 27.3022 35.8141 -16.0481 10.028 24.4751 9.3784 0.278583 TIMING: 1392200 CPU: 4190.6, 0.00304834/step Wall: 4190.6, 0.00304834/step, 3.05495 hours remaining, 208.144531 MB of memory in use. ENERGY: 1392200 725.9926 2063.1561 1933.5698 107.2319 -206105.3729 17810.4504 0.0000 0.0000 34460.0075 -149004.9646 300.9478 -183464.9721 -148914.6468 299.7824 38.6859 67.7186 556670.9085 7.4522 7.4765 LDB: ============= START OF LOAD BALANCING ============== 4194.13 LDB: ============== END OF LOAD BALANCING =============== 4194.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4194.13 LDB: ============= START OF LOAD BALANCING ============== 4194.44 LDB: Largest compute 4800 load 0.029765 is 25.2% of average load 0.118021 LDB: Average compute 0.001737 is 1.5% of average load 0.118021 LDB: TIME 4194.44 LOAD: AVG 0.118021 MAX 0.219115 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.758 MB LDB: TIME 4194.44 LOAD: AVG 0.118021 MAX 0.219115 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.758 MB LDB: TIME 4194.44 LOAD: AVG 0.118021 MAX 0.219115 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.758 MB LDB: ============== END OF LOAD BALANCING =============== 4194.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4194.44 PRESSURE: 1392400 -3.55928 -55.5636 -61.3669 -55.5641 -141.436 74.4699 -61.3664 74.4713 46.3333 GPRESSURE: 1392400 13.1787 -51.9843 -38.0477 -36.812 -72.3641 40.8242 -105.74 54.4385 51.7103 PRESSAVG: 1392400 91.1534 -12.6552 -68.7544 -12.6552 -16.9849 -30.2784 -68.7545 -30.2785 -26.5502 GPRESSAVG: 1392400 91.352 -14.6628 -69.5077 -11.3742 -16.4816 -30.8924 -69.8972 -30.1669 -27.422 TIMING: 1392400 CPU: 4191.23, 0.00312194/step Wall: 4191.23, 0.00312194/step, 3.12853 hours remaining, 209.875000 MB of memory in use. ENERGY: 1392400 743.0622 2090.6727 1936.0404 108.7362 -205971.6259 17692.7864 0.0000 0.0000 34445.3167 -148955.0114 300.8195 -183400.3281 -148856.0269 299.9482 -32.8874 -2.4917 558522.6163 15.8728 15.8161 PRESSURE: 1392600 -88.3569 -56.2592 -39.2064 -56.2599 145.832 18.3258 -39.205 18.3253 207.781 GPRESSURE: 1392600 -35.4729 -97.6935 15.7896 -147.106 153.112 0.111036 -28.8304 87.2238 233.057 PRESSAVG: 1392600 -7.971 -9.35514 -16.0017 -9.35521 -60.3971 -41.3242 -16.0018 -41.3241 40.571 GPRESSAVG: 1392600 -8.18206 -7.34241 -15.0511 -10.9696 -60.8515 -41.143 -15.9319 -40.2962 40.7482 TIMING: 1392600 CPU: 4191.83, 0.00302747/step Wall: 4191.83, 0.00302747/step, 3.03369 hours remaining, 210.078125 MB of memory in use. ENERGY: 1392600 729.8830 2076.0379 1956.0538 129.4187 -206057.3136 17840.4385 0.0000 0.0000 34520.2204 -148805.2614 301.4737 -183325.4818 -148709.4390 300.8219 88.4185 116.8988 557934.1385 -9.2657 -9.4284 PRESSURE: 1392800 -351.492 154.33 198.98 154.329 -90.9945 75.823 198.98 75.8237 -346.262 GPRESSURE: 1392800 -353.273 181.346 145.764 110.627 -83.4307 135.732 265.294 156.462 -245.328 PRESSAVG: 1392800 -65.0044 10.3154 12.6727 10.3155 -17.7208 2.17589 12.6726 2.17598 68.8857 GPRESSAVG: 1392800 -63.6039 8.25179 10.9558 12.5828 -17.1014 3.34575 14.115 2.66211 67.3545 TIMING: 1392800 CPU: 4192.44, 0.00304241/step Wall: 4192.44, 0.00304241/step, 3.04849 hours remaining, 210.078125 MB of memory in use. ENERGY: 1392800 768.7483 2053.7438 1951.2224 126.7409 -205653.9511 17520.0440 0.0000 0.0000 34447.8132 -148785.6384 300.8413 -183233.4516 -148694.2958 300.4796 -262.9163 -227.3437 559266.3897 -4.6132 -4.4503 PRESSURE: 1393000 59.9082 -36.163 -112.556 -36.1633 -331.352 79.3817 -112.554 79.3805 107.838 GPRESSURE: 1393000 128.252 -66.4763 -66.7474 -75.9522 -305.518 101.06 -152.027 129.645 106.589 PRESSAVG: 1393000 54.7399 16.3754 4.38909 16.3753 -83.5565 39.4853 4.38909 39.4853 19.0474 GPRESSAVG: 1393000 53.4424 18.0232 4.40408 15.8469 -83.3404 39.7293 4.42319 37.7466 19.8903 TIMING: 1393000 CPU: 4193.06, 0.0030846/step Wall: 4193.06, 0.0030846/step, 3.0906 hours remaining, 210.078125 MB of memory in use. ENERGY: 1393000 735.4075 2091.0031 1927.1868 118.3265 -205587.3103 17698.2099 0.0000 0.0000 34065.5771 -148951.5995 297.5032 -183017.1766 -148861.1894 300.4659 -54.5352 -23.5590 559179.7587 -3.2564 -3.3359 PRESSURE: 1393200 -43.7004 -24.7525 -90.2065 -24.7526 -75.8776 14.2137 -90.2064 14.2125 -114.921 GPRESSURE: 1393200 5.01143 -11.9764 -68.2655 -51.6425 -58.2667 -8.06908 -93.2644 -29.0957 -74.7039 PRESSAVG: 1393200 57.8204 -43.2581 -0.539083 -43.2581 -13.53 40.0147 -0.539106 40.0146 -45.8993 GPRESSAVG: 1393200 58.0617 -44.6752 -2.40287 -42.516 -13.0312 39.1156 -0.111873 40.5457 -46.8491 TIMING: 1393200 CPU: 4193.67, 0.00304283/step Wall: 4193.67, 0.00304283/step, 3.04857 hours remaining, 210.078125 MB of memory in use. ENERGY: 1393200 704.7994 2016.1125 1965.6944 105.4760 -205935.7882 17769.3679 0.0000 0.0000 34516.4067 -148857.9314 301.4404 -183374.3381 -148759.2576 300.1039 -78.1665 -42.6531 559245.3219 -0.5363 -0.6062 PRESSURE: 1393400 -24.0371 -49.0683 25.4104 -49.0685 -173.898 -42.5598 25.4105 -42.5605 -268.355 GPRESSURE: 1393400 -11.3098 10.6357 88.9062 -118.475 -148.979 -46.6309 51.6469 -36.4011 -195.325 PRESSAVG: 1393400 61.7527 14.7444 -14.7322 14.7444 26.1847 -43.6631 -14.7322 -43.663 -43.6154 GPRESSAVG: 1393400 62.5332 16.3914 -11.5001 12.8248 24.3707 -42.3897 -15.8413 -42.2928 -42.4488 TIMING: 1393400 CPU: 4194.27, 0.00303902/step Wall: 4194.27, 0.00303902/step, 3.0446 hours remaining, 210.078125 MB of memory in use. ENERGY: 1393400 743.7082 2086.4814 1915.8384 120.6951 -205670.2129 17591.8087 0.0000 0.0000 34186.1727 -149025.5083 298.5563 -183211.6810 -148927.8313 299.9120 -155.4299 -118.5381 558575.7847 14.7740 14.8184 PRESSURE: 1393600 -124.139 -19.9695 50.7278 -19.969 -359.959 -33.9011 50.7282 -33.901 -215.241 GPRESSURE: 1393600 -142.171 103.238 178.706 -151.122 -323.253 -39.4446 25.5991 -30.5825 -149.737 PRESSAVG: 1393600 -47.2877 -25.8524 -8.35175 -25.8524 28.8582 9.30583 -8.35174 9.30583 18.4898 GPRESSAVG: 1393600 -47.6764 -25 -10.5216 -23.053 30.3681 7.83914 -8.84962 7.87681 17.279 TIMING: 1393600 CPU: 4194.88, 0.0030279/step Wall: 4194.88, 0.0030279/step, 3.03329 hours remaining, 210.078125 MB of memory in use. ENERGY: 1393600 784.9306 2072.9167 1893.7484 118.1927 -206137.7202 17605.1976 0.0000 0.0000 34531.7080 -149131.0262 301.5740 -183662.7342 -149037.4367 300.0893 -233.1130 -205.0535 557789.0942 0.0201 -0.0098 PRESSURE: 1393800 56.7525 81.4587 95.8356 81.4587 -122.062 0.00396108 95.8343 0.00397308 115.349 GPRESSURE: 1393800 103.874 224.513 133.871 95.2931 -96.3376 -49.0627 74.3632 -39.9466 144.892 PRESSAVG: 1393800 -53.2566 -27.9113 -27.9821 -27.9114 49.6059 3.22424 -27.9821 3.22423 3.42172 GPRESSAVG: 1393800 -54.2574 -27.2992 -28.6593 -28.5573 48.7668 1.93187 -26.1626 3.55044 5.23641 TIMING: 1393800 CPU: 4195.49, 0.00304862/step Wall: 4195.49, 0.00304862/step, 3.05387 hours remaining, 210.078125 MB of memory in use. ENERGY: 1393800 724.0938 2064.4753 1929.8350 111.7417 -206276.3075 17756.2174 0.0000 0.0000 34577.4752 -149112.4692 301.9737 -183689.9444 -149015.4778 300.3513 16.6797 50.8094 557456.7708 -0.0763 -0.0847 PRESSURE: 1394000 -204.359 223.753 37.5807 223.749 -106.957 -112.15 37.5798 -112.149 -140.871 GPRESSURE: 1394000 -241.189 119.136 61.1512 187.611 -57.0106 -52.8743 -6.6918 -191.034 -59.9058 PRESSAVG: 1394000 -50.4568 15.9827 -31.0204 15.9827 -34.4687 -2.03249 -31.0205 -2.03258 51.5465 GPRESSAVG: 1394000 -50.593 14.6937 -28.628 16.1385 -33.803 -0.725009 -32.9793 -2.48606 50.9379 TIMING: 1394000 CPU: 4196.09, 0.0030241/step Wall: 4196.09, 0.0030241/step, 3.02914 hours remaining, 210.078125 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: 1394000 744.6531 2051.0686 1904.7962 113.6751 -205713.2239 17464.7834 0.0000 0.0000 34357.2476 -149076.9999 300.0504 -183434.2475 -148978.1424 299.4565 -150.7286 -119.3685 557158.2246 -11.1264 -11.1527 PRESSURE: 1394200 -35.8105 33.5149 -36.9625 33.515 208.799 105.072 -36.9616 105.072 56.6525 GPRESSURE: 1394200 -29.0769 49.5464 -2.25916 85.8362 210.982 62.7019 0.943181 39.4845 145.421 PRESSAVG: 1394200 -44.9511 33.6645 -18.7406 33.6644 -15.5448 -40.5175 -18.7406 -40.5175 67.3156 GPRESSAVG: 1394200 -44.863 32.4274 -21.2748 34.6691 -14.9883 -40.3218 -17.1492 -40.3684 66.8522 TIMING: 1394200 CPU: 4196.7, 0.00302482/step Wall: 4196.7, 0.00302482/step, 3.02969 hours remaining, 210.078125 MB of memory in use. ENERGY: 1394200 760.6774 2082.3578 1914.1828 111.9805 -206291.0684 17933.3540 0.0000 0.0000 34270.1703 -149218.3455 299.2899 -183488.5158 -149131.3625 299.9706 76.5470 109.1088 557957.9198 2.2732 2.3337 PRESSURE: 1394400 -492.21 114.526 173.842 114.526 5.86803 -143.428 173.841 -143.427 149.475 GPRESSURE: 1394400 -446.125 108.78 157.81 119.128 19.5775 -101.283 232.453 -98.8157 188.677 PRESSAVG: 1394400 -41.8499 -11.8049 8.54655 -11.8049 -32.0228 -22.3306 8.5465 -22.3307 62.0393 GPRESSAVG: 1394400 -41.6543 -10.1298 10.1762 -14.7414 -32.4612 -21.2919 6.68645 -23.9496 61.7105 TIMING: 1394400 CPU: 4197.3, 0.00300882/step Wall: 4197.3, 0.00300882/step, 3.0135 hours remaining, 210.078125 MB of memory in use. ENERGY: 1394400 717.4434 2098.3732 1912.6984 105.6301 -206014.1200 17517.6134 0.0000 0.0000 34418.2744 -149244.0872 300.5834 -183662.3616 -149150.1141 299.9019 -112.2890 -79.2902 557279.8812 -3.9445 -4.1350 PRESSURE: 1394600 -129.587 67.077 206.088 67.0768 -94.4718 29.633 206.088 29.6336 39.5104 GPRESSURE: 1394600 -96.2412 63.2189 207.062 -27.8164 -137.354 67.5913 155.984 -24.7438 136.389 PRESSAVG: 1394600 19.2264 14.061 21.211 14.061 -13.217 -84.5637 21.2109 -84.5636 25.6595 GPRESSAVG: 1394600 19.8062 13.5151 20.7163 16.8021 -13.8402 -86.4438 20.3722 -81.7571 25.4813 TIMING: 1394600 CPU: 4197.9, 0.00300962/step Wall: 4197.9, 0.00300962/step, 3.01413 hours remaining, 210.078125 MB of memory in use. ENERGY: 1394600 766.6294 2114.9816 1931.7482 108.2194 -206349.8213 17809.3701 0.0000 0.0000 34410.7182 -149208.1544 300.5174 -183618.8726 -149117.0104 299.8245 -61.5160 -32.4022 556916.4829 10.5563 10.4824 PRESSURE: 1394800 -76.5657 25.1522 234.077 25.1517 -179.753 169.359 234.077 169.359 -240.943 GPRESSURE: 1394800 -48.2704 12.5485 158.807 -18.3064 -135.323 164.485 229.398 191.365 -228.023 PRESSAVG: 1394800 34.5532 -0.69853 22.1162 -0.69856 1.46322 -29.3636 22.1162 -29.3636 -4.53131 GPRESSAVG: 1394800 34.8566 0.547704 22.2258 -2.22576 0.820777 -28.5582 23.2179 -29.5454 -4.09195 TIMING: 1394800 CPU: 4198.51, 0.00303636/step Wall: 4198.51, 0.00303636/step, 3.04075 hours remaining, 210.078125 MB of memory in use. ENERGY: 1394800 739.6776 2123.4329 1938.3071 106.1053 -205814.4203 17593.2913 0.0000 0.0000 34136.7272 -149176.8787 298.1245 -183313.6059 -149077.6789 300.1773 -165.7541 -137.2056 557817.2870 10.4951 10.5285 PRESSURE: 1395000 -5.62224 -117.121 109.86 -117.122 220.879 -123.082 109.86 -123.082 205.209 GPRESSURE: 1395000 29.9292 -125.732 78.2068 -99.9731 282.085 -165.718 117.718 -31.4293 211.261 PRESSAVG: 1395000 72.006 12.5371 8.69156 12.5372 -47.7314 -8.30176 8.69158 -8.30179 -81.3524 GPRESSAVG: 1395000 70.9456 10.5011 7.13572 14.6115 -46.8143 -8.17887 9.6567 -8.42838 -81.5678 TIMING: 1395000 CPU: 4199.11, 0.00299934/step Wall: 4199.11, 0.00299934/step, 3.00351 hours remaining, 210.078125 MB of memory in use. ENERGY: 1395000 690.0809 2105.8366 1914.6960 110.8859 -206494.5705 18088.9879 0.0000 0.0000 34526.9432 -149057.1399 301.5324 -183584.0832 -148959.2098 300.0095 140.1551 174.4251 556558.8576 -19.0259 -19.1455 PRESSURE: 1395200 26.2695 -100.733 -6.26561 -100.734 0.818927 103.062 -6.26525 103.063 5.80843 GPRESSURE: 1395200 68.3757 -47.4496 -57.9683 -184.107 70.1553 98.8727 47.1033 108.147 -12.9742 PRESSAVG: 1395200 -19.9492 69.1768 22.3779 69.1768 51.0275 -38.9742 22.3778 -38.9742 19.227 GPRESSAVG: 1395200 -20.6852 70.2074 22.6068 68.3963 51.8165 -42.8427 22.5165 -35.765 18.6947 TIMING: 1395200 CPU: 4199.72, 0.00304202/step Wall: 4199.72, 0.00304202/step, 3.04608 hours remaining, 210.078125 MB of memory in use. ENERGY: 1395200 720.4051 2123.5238 1918.9462 110.0819 -205803.5204 17636.0155 0.0000 0.0000 34232.2138 -149062.3341 298.9584 -183294.5478 -148968.0201 300.2412 10.9656 41.8523 558255.6840 16.7685 16.6087 PRESSURE: 1395400 -181.087 -48.2468 4.5824 -48.2453 -28.1506 -45.4239 4.58377 -45.4234 74.4043 GPRESSURE: 1395400 -126.701 46.3872 25.7468 -33.5379 -19.485 -46.469 -35.3523 -42.5391 92.7996 PRESSAVG: 1395400 -46.7864 38.1651 -52.1387 38.1651 -18.7733 -14.5153 -52.1387 -14.5153 52.672 GPRESSAVG: 1395400 -45.3593 39.9699 -51.2869 37.6815 -20.7377 -11.2513 -53.968 -18.0141 52.5396 TIMING: 1395400 CPU: 4200.33, 0.00307221/step Wall: 4200.33, 0.00307221/step, 3.07613 hours remaining, 210.078125 MB of memory in use. ENERGY: 1395400 737.5012 2099.2273 1936.4175 119.7548 -205945.3157 17514.3985 0.0000 0.0000 34298.3315 -149239.6850 299.5359 -183538.0165 -149136.6331 300.6228 -44.9444 -17.7954 557414.1517 -4.2959 -4.5191 PRESSURE: 1395600 -73.0794 120.108 17.3715 120.106 -74.5581 121.017 17.3715 121.015 -28.5802 GPRESSURE: 1395600 -78.4614 59.7983 25.8767 136.902 -61.0437 86.989 -16.3091 100.73 55.1837 PRESSAVG: 1395600 -103.378 15.2498 -8.26285 15.2498 9.83901 -12.5472 -8.26279 -12.5472 49.9005 GPRESSAVG: 1395600 -104.026 12.0726 -9.62514 16.5595 10.3937 -11.3963 -5.5586 -13.7944 50.5018 TIMING: 1395600 CPU: 4200.95, 0.00307069/step Wall: 4200.95, 0.00307069/step, 3.07444 hours remaining, 210.078125 MB of memory in use. ENERGY: 1395600 728.6025 2103.3641 1919.7982 118.0395 -206064.8119 17829.0891 0.0000 0.0000 34268.0898 -149097.8287 299.2718 -183365.9185 -149005.1494 299.9880 -58.7392 -28.1072 558863.2149 -14.5462 -14.3768 PRESSURE: 1395800 -304.493 170.033 -31.702 170.032 41.4425 -34.235 -31.7027 -34.2346 189.966 GPRESSURE: 1395800 -248.601 185.17 6.77484 203.927 76.8741 -51.4291 -37.0242 -7.87429 198.254 PRESSAVG: 1395800 -15.3436 44.541 21.8767 44.5409 0.0749916 -17.6582 21.8768 -17.6582 41.4806 GPRESSAVG: 1395800 -14.714 42.0806 24.5569 45.2106 -0.562699 -18.9141 19.6041 -16.8493 41.5016 TIMING: 1395800 CPU: 4201.56, 0.0030529/step Wall: 4201.56, 0.0030529/step, 3.05647 hours remaining, 210.078125 MB of memory in use. ENERGY: 1395800 747.9137 2054.0308 1926.4173 123.5445 -206410.7363 17939.0490 0.0000 0.0000 34367.9974 -149251.7836 300.1443 -183619.7810 -149158.1798 299.7508 -24.3612 8.8424 557734.7213 8.7373 8.7416 PRESSURE: 1396000 -165.456 -1.264 -89.4563 -1.26281 -122.028 28.5786 -89.4576 28.5789 -168.342 GPRESSURE: 1396000 -166.794 -14.2025 -44.8785 6.7407 -61.0989 34.9598 -133.799 44.6463 -136.399 PRESSAVG: 1396000 -12.2161 53.6855 18.6342 53.6856 25.9865 20.1956 18.6342 20.1956 17.8279 GPRESSAVG: 1396000 -11.7239 55.0664 16.4992 52.6667 26.1283 18.8372 21.6383 20.9478 17.241 TIMING: 1396000 CPU: 4202.17, 0.00307293/step Wall: 4202.17, 0.00307293/step, 3.07634 hours remaining, 210.078125 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: 1396000 773.0049 2057.6951 1945.9595 110.8739 -206156.1824 17640.5545 0.0000 0.0000 34251.6745 -149376.4200 299.1284 -183628.0945 -149282.1857 299.2737 -151.9420 -121.4306 556636.1687 10.5328 10.5485 PRESSURE: 1396200 107.341 14.333 -4.77241 14.333 89.7856 129.098 -4.77242 129.097 -21.2455 GPRESSURE: 1396200 100.594 -18.1987 -58.2937 -11.5516 136.463 94.3793 44.1652 191.557 33.3915 PRESSAVG: 1396200 -57.745 -31.8527 -32.096 -31.8525 25.3873 0.271543 -32.096 0.271579 21.7006 GPRESSAVG: 1396200 -57.3768 -30.3705 -31.0803 -33.7599 25.7198 2.24254 -33.0497 -1.04482 20.7056 TIMING: 1396200 CPU: 4202.78, 0.00304591/step Wall: 4202.78, 0.00304591/step, 3.04913 hours remaining, 210.078125 MB of memory in use. ENERGY: 1396200 759.7882 2155.9598 1937.5399 115.5570 -206631.5399 18016.1198 0.0000 0.0000 34283.9719 -149362.6034 299.4105 -183646.5753 -149265.3478 298.9664 58.6271 90.1496 556838.6411 -3.5524 -3.6505 LDB: ============= START OF LOAD BALANCING ============== 4206.3 LDB: ============== END OF LOAD BALANCING =============== 4206.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4206.3 LDB: ============= START OF LOAD BALANCING ============== 4206.61 LDB: Largest compute 4800 load 0.029049 is 24.6% of average load 0.117946 LDB: Average compute 0.001735 is 1.5% of average load 0.117946 LDB: TIME 4206.61 LOAD: AVG 0.117946 MAX 0.21949 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.992 MB LDB: TIME 4206.61 LOAD: AVG 0.117946 MAX 0.21949 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.992 MB LDB: TIME 4206.61 LOAD: AVG 0.117946 MAX 0.21949 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.992 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4206.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4206.62 PRESSURE: 1396400 -102.027 -28.5979 -87.2733 -28.5989 -339.43 59.9239 -87.2739 59.9238 -340.328 GPRESSURE: 1396400 -97.8565 8.2492 -140.319 -109.861 -280.402 92.2859 -35.4139 31.8536 -310.093 PRESSAVG: 1396400 4.85679 12.0276 0.0819491 12.0274 21.1804 26.2626 0.0819294 26.2626 -2.06281 GPRESSAVG: 1396400 2.89009 11.9485 0.341359 13.3007 22.0314 25.7846 -0.680999 27.9899 -1.07554 TIMING: 1396400 CPU: 4203.4, 0.00310012/step Wall: 4203.4, 0.00310012/step, 3.10322 hours remaining, 206.976562 MB of memory in use. ENERGY: 1396400 755.3480 2064.3200 1961.5237 121.4119 -205744.5310 17274.4857 0.0000 0.0000 34197.9018 -149369.5399 298.6588 -183567.4417 -149274.6167 299.2337 -260.5953 -229.4505 555453.7716 7.9915 7.9487 PRESSURE: 1396600 -46.1456 35.0323 52.4347 35.0307 -48.4795 272.89 52.435 272.891 2.36946 GPRESSURE: 1396600 -39.3934 24.573 26.9776 6.18409 3.92521 329.469 4.41254 293.974 38.2815 PRESSAVG: 1396600 4.60113 -17.2647 -26.2639 -17.2647 52.863 69.57 -26.2639 69.5699 -39.2025 GPRESSAVG: 1396600 5.76979 -15.5559 -28.4153 -19.1332 53.2683 67.3112 -26.3434 69.2585 -40.4142 TIMING: 1396600 CPU: 4204.01, 0.00304092/step Wall: 4204.01, 0.00304092/step, 3.04379 hours remaining, 206.976562 MB of memory in use. ENERGY: 1396600 749.6716 2073.9242 1950.3938 120.2850 -206280.9183 17944.8604 0.0000 0.0000 34128.6426 -149313.1408 298.0539 -183441.7834 -149221.1083 299.2005 -30.7519 0.9378 558094.3479 6.0872 6.2080 PRESSURE: 1396800 -154.519 -56.5965 247.228 -56.5964 -115.848 -21.0721 247.226 -21.0716 37.8632 GPRESSURE: 1396800 -154.465 -36.0395 217.372 -33.634 -87.8044 -80.8606 326.504 -54.4667 103.172 PRESSAVG: 1396800 31.547 30.338 -5.56666 30.338 6.22728 -31.5377 -5.56667 -31.5378 -41.4732 GPRESSAVG: 1396800 31.3001 28.6122 -5.46891 32.047 5.47269 -29.4707 -3.77126 -31.7183 -40.5108 TIMING: 1396800 CPU: 4204.62, 0.00302735/step Wall: 4204.62, 0.00302735/step, 3.03004 hours remaining, 206.976562 MB of memory in use. ENERGY: 1396800 767.3587 2084.0860 1933.6500 123.2661 -205858.1023 17626.2852 0.0000 0.0000 34117.3628 -149206.0934 297.9554 -183323.4563 -149111.8148 299.3538 -77.5015 -46.3660 557429.1580 -1.2330 -1.2460 PRESSURE: 1397000 217.095 -56.028 11.3416 -56.0277 230.139 116.541 11.3419 116.542 37.0828 GPRESSURE: 1397000 267.623 -65.0625 -11.5499 -52.2655 254.632 82.6981 73.8521 179.212 47.5002 PRESSAVG: 1397000 -0.97306 13.6208 57.727 13.6207 -49.6974 -16.9966 57.727 -16.9967 12.2208 GPRESSAVG: 1397000 -1.2569 14.1538 59.2837 12.8265 -49.1694 -16.5194 54.2957 -15.4844 11.7403 TIMING: 1397000 CPU: 4205.23, 0.00306173/step Wall: 4205.23, 0.00306173/step, 3.06428 hours remaining, 206.976562 MB of memory in use. ENERGY: 1397000 734.5500 2121.6575 1921.2138 120.8144 -206423.5946 17980.6990 0.0000 0.0000 34166.4123 -149378.2474 298.3838 -183544.6597 -149284.1751 299.3195 161.4386 189.9184 556399.4855 -12.8166 -12.8953 PRESSURE: 1397200 -165.367 78.9155 -71.0276 78.9169 25.3757 -23.1511 -71.028 -23.1502 -121.958 GPRESSURE: 1397200 -145.683 112.784 -22.8253 66.6686 103.753 85.5858 -98.6549 -132.215 -116.702 PRESSAVG: 1397200 45.207 26.4178 -28.5847 26.4179 0.468202 -6.78649 -28.5847 -6.78639 -23.223 GPRESSAVG: 1397200 44.8516 27.5633 -27.0999 27.0621 0.438927 -5.90359 -27.3158 -7.46785 -22.9035 TIMING: 1397200 CPU: 4205.83, 0.00302962/step Wall: 4205.83, 0.00302963/step, 3.03198 hours remaining, 206.976562 MB of memory in use. ENERGY: 1397200 743.4987 2062.9629 1919.1664 112.7062 -205923.0369 17660.1036 0.0000 0.0000 33994.7253 -149429.8737 296.8844 -183424.5990 -149330.2207 299.3067 -87.3164 -52.8774 557321.5557 7.4841 7.4623 PRESSURE: 1397400 139.229 75.8303 -34.0869 75.831 -119.813 -26.2866 -34.0862 -26.2847 30.4392 GPRESSURE: 1397400 55.5878 12.847 11.6474 174.365 -63.4509 -59.4076 31.4794 -10.9358 160.105 PRESSAVG: 1397400 17.3683 20.0546 5.13513 20.0548 -29.6665 -3.06316 5.13518 -3.06317 40.4534 GPRESSAVG: 1397400 16.9116 17.2203 3.82761 21.3146 -30.2589 -5.84527 3.98652 -1.73559 41.2956 TIMING: 1397400 CPU: 4206.44, 0.00302822/step Wall: 4206.44, 0.00302822/step, 3.03041 hours remaining, 206.976562 MB of memory in use. ENERGY: 1397400 787.4389 2071.7443 1947.2587 101.6651 -206315.3136 17940.1416 0.0000 0.0000 34138.4869 -149328.5780 298.1399 -183467.0650 -149246.6716 298.7460 16.6185 50.7474 558724.2643 9.3851 9.3161 PRESSURE: 1397600 94.7897 -61.7818 -42.066 -61.7811 -489.275 -7.2456 -42.0662 -7.24496 -15.2431 GPRESSURE: 1397600 79.8148 -73.2971 -77.5167 -44.0857 -438.86 -30.1171 -10.4545 46.4061 38.0866 PRESSAVG: 1397600 -9.1284 13.1361 30.3162 13.1361 -4.10366 36.1255 30.3161 36.1255 -4.43155 GPRESSAVG: 1397600 -9.12218 13.4281 28.8447 12.7573 -3.46149 38.8072 31.7456 33.5552 -5.82115 TIMING: 1397600 CPU: 4207.04, 0.00301827/step Wall: 4207.04, 0.00301827/step, 3.02028 hours remaining, 206.976562 MB of memory in use. ENERGY: 1397600 730.5863 2109.1249 1955.5919 119.1551 -205928.5790 17739.2043 0.0000 0.0000 33872.4707 -149402.4458 295.8167 -183274.9165 -149308.2076 298.4140 -136.5761 -106.9864 558642.3541 -5.8879 -6.1349 PRESSURE: 1397800 115.73 -155.525 -21.9597 -155.526 -66.693 18.6641 -21.9598 18.6621 -19.7994 GPRESSURE: 1397800 121.572 -54.7372 -55.7508 -204.172 -31.5531 5.09595 63.4487 35.0001 24.7118 PRESSAVG: 1397800 52.2856 3.73923 27.0599 3.73922 -19.6077 11.834 27.0599 11.8339 -76.5156 GPRESSAVG: 1397800 52.7946 4.257 27.3683 1.89876 -20.0635 10.7746 25.8454 11.9699 -76.0464 TIMING: 1397800 CPU: 4207.65, 0.00301007/step Wall: 4207.65, 0.00301007/step, 3.0119 hours remaining, 206.976562 MB of memory in use. ENERGY: 1397800 727.9910 2043.6408 1932.2625 121.6640 -206050.7649 17674.8474 0.0000 0.0000 34289.5500 -149260.8091 299.4592 -183550.3592 -149164.7765 298.7342 9.7458 38.2436 556676.8042 -14.6126 -14.4384 PRESSURE: 1398000 244.352 25.7175 45.1068 25.7174 -54.2404 36.3496 45.1079 36.3503 60.2931 GPRESSURE: 1398000 273.527 -59.2448 14.2071 19.9082 22.5348 -41.9057 -25.4516 56.2914 60.1896 PRESSAVG: 1398000 21.4066 11.4673 17.6906 11.4672 31.3201 -18.4518 17.6906 -18.4518 -33.1158 GPRESSAVG: 1398000 20.359 12.3833 18.0022 11.8216 31.6423 -18.5855 19.1179 -15.9616 -32.2875 TIMING: 1398000 CPU: 4208.25, 0.00302321/step Wall: 4208.25, 0.00302321/step, 3.02489 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: 1398000 714.1249 2075.1074 1914.6419 149.3471 -206277.5335 17882.2203 0.0000 0.0000 34187.9792 -149354.1127 298.5721 -183542.0919 -149256.1664 299.1842 83.4681 118.7505 557072.1857 6.5370 6.5713 PRESSURE: 1398200 -178.045 171.026 48.5348 171.027 -3.88475 -141.577 48.5353 -141.577 32.9287 GPRESSURE: 1398200 -77.5993 121.465 46.6934 196.581 -26.6293 -53.1973 74.8704 -113.114 66.5475 PRESSAVG: 1398200 12.4156 -3.46796 5.81598 -3.46798 -26.1943 -23.3842 5.81601 -23.3843 -7.55159 GPRESSAVG: 1398200 13.6166 -4.79749 5.60695 -3.71079 -27.2657 -22.7669 6.99853 -24.5127 -7.33304 TIMING: 1398200 CPU: 4208.86, 0.00303618/step Wall: 4208.86, 0.00303618/step, 3.03769 hours remaining, 206.976562 MB of memory in use. ENERGY: 1398200 740.3379 2033.6113 1919.0605 116.3542 -206078.8382 17629.4020 0.0000 0.0000 34245.6511 -149394.4212 299.0758 -183640.0723 -149298.6235 298.8130 -49.6671 -12.5604 556840.2150 -7.1101 -6.9941 PRESSURE: 1398400 -6.87676 144.843 -72.7616 144.842 259.165 -271.28 -72.7621 -271.278 30.7287 GPRESSURE: 1398400 26.1124 181.203 -81.6164 63.8525 300.966 -341.363 -41.5472 -183.875 55.7478 PRESSAVG: 1398400 39.4593 8.73509 11.0016 8.73503 2.87253 7.64614 11.0015 7.64626 -2.82369 GPRESSAVG: 1398400 39.6672 8.52025 12.0375 10.6545 3.06509 7.28716 10.1624 5.89879 -3.7536 TIMING: 1398400 CPU: 4209.46, 0.0030366/step Wall: 4209.46, 0.0030366/step, 3.03795 hours remaining, 207.101562 MB of memory in use. ENERGY: 1398400 728.8116 2151.6766 1911.7285 108.5644 -206794.0201 18131.8820 0.0000 0.0000 34344.9204 -149416.4365 299.9427 -183761.3570 -149323.3293 298.9809 94.3390 127.6088 556687.7884 13.1694 12.9929 PRESSURE: 1398600 -326.125 215.791 -169.033 215.791 -56.3423 296.064 -169.033 296.061 -228.844 GPRESSURE: 1398600 -323.977 255.76 -134.139 137.4 -6.26043 314.112 -222.263 271.842 -177.861 PRESSAVG: 1398600 -48.7398 15.8083 21.9356 15.8082 -12.994 20.2711 21.9355 20.2711 57.0599 GPRESSAVG: 1398600 -48.9336 17.2171 21.6408 14.3622 -13.0613 19.682 21.1185 23.4604 57.2371 TIMING: 1398600 CPU: 4210.07, 0.00305067/step Wall: 4210.07, 0.00305067/step, 3.05185 hours remaining, 207.101562 MB of memory in use. ENERGY: 1398600 746.3079 2088.9674 1929.7019 121.2794 -206068.4597 17496.1082 0.0000 0.0000 34298.3673 -149387.7277 299.5362 -183686.0950 -149288.3530 299.0947 -203.7703 -169.3661 558231.0430 -1.5580 -1.5859 PRESSURE: 1398800 190.636 75.9176 -182.082 75.9164 -108.415 13.5617 -182.084 13.563 -199.285 GPRESSURE: 1398800 250.944 32.8477 -140.837 102.904 -19.4422 12.2955 -177.998 -40.7127 -238.409 PRESSAVG: 1398800 -30.2287 20.9789 -34.6257 20.9788 -33.3677 40.0235 -34.6258 40.0234 35.2779 GPRESSAVG: 1398800 -30.0638 20.6167 -33.1709 22.2166 -33.9987 40.1999 -35.1844 38.6696 35.2243 TIMING: 1398800 CPU: 4210.68, 0.00304448/step Wall: 4210.68, 0.00304448/step, 3.0455 hours remaining, 207.101562 MB of memory in use. ENERGY: 1398800 739.5728 2024.2314 1919.2036 102.1560 -206413.8946 17772.9007 0.0000 0.0000 34422.0552 -149433.7749 300.6164 -183855.8301 -149330.6083 298.7210 -39.0213 -2.3024 556649.9977 -9.4395 -9.6127 PRESSURE: 1399000 56.5664 53.3723 143.963 53.3735 -333.744 30.734 143.962 30.7333 256.686 GPRESSURE: 1399000 124.813 34.098 126.387 -17.2449 -330.544 53.6434 128.987 14.608 278.806 PRESSAVG: 1399000 -30.442 -25.738 -34.2162 -25.7378 20.8935 -12.3792 -34.2162 -12.3793 42.7661 GPRESSAVG: 1399000 -30.8336 -23.5276 -34.3369 -26.642 19.8202 -12.3456 -33.6512 -10.5502 43.7259 TIMING: 1399000 CPU: 4211.29, 0.00302085/step Wall: 4211.29, 0.00302085/step, 3.02169 hours remaining, 207.101562 MB of memory in use. ENERGY: 1399000 734.1829 2165.3396 1928.7994 118.7431 -206385.8915 17872.0399 0.0000 0.0000 34074.7287 -149492.0580 297.5831 -183566.7866 -149398.8012 298.3875 -6.8305 24.3584 557718.0476 11.0725 10.9042 PRESSURE: 1399200 -209.88 181.354 85.4481 181.353 -201.295 93.2909 85.4496 93.2908 -248.85 GPRESSURE: 1399200 -178.754 141.499 33.5714 179.895 -152.917 72.6878 167.014 235.589 -228.902 PRESSAVG: 1399200 39.4659 42.6286 -0.171163 42.6286 -50.0968 -7.66715 -0.171273 -7.66712 -4.31228 GPRESSAVG: 1399200 38.7169 42.4271 0.313693 42.5348 -49.3547 -5.68573 0.311224 -9.74251 -4.35119 TIMING: 1399200 CPU: 4211.89, 0.00302086/step Wall: 4211.89, 0.00302086/step, 3.02153 hours remaining, 207.101562 MB of memory in use. ENERGY: 1399200 726.1186 2117.0918 1911.5119 121.1985 -205742.0519 17301.2403 0.0000 0.0000 34140.5015 -149424.3894 298.1575 -183564.8909 -149323.9987 298.0529 -220.0081 -186.8574 556801.0143 -4.9810 -4.9963 PRESSURE: 1399400 -267.496 227.556 124.535 227.557 -295.671 -29.2026 124.536 -29.2036 -420.078 GPRESSURE: 1399400 -250.298 93.7673 166.52 217.993 -270.46 -22.3018 146.105 -44.9953 -371.852 PRESSAVG: 1399400 5.41882 61.4051 64.9825 61.4052 57.211 -19.2321 64.9825 -19.2321 -54.8992 GPRESSAVG: 1399400 5.29584 59.2982 62.6813 63.0873 58.2722 -18.9869 66.3421 -20.0003 -56.0461 TIMING: 1399400 CPU: 4212.5, 0.00304272/step Wall: 4212.5, 0.00304272/step, 3.04323 hours remaining, 207.101562 MB of memory in use. ENERGY: 1399400 739.3437 2103.2463 1918.2554 117.1813 -205874.1403 17273.3263 0.0000 0.0000 34154.5518 -149568.2355 298.2802 -183722.7873 -149473.7480 298.5786 -327.7484 -297.5366 557202.3959 2.5769 2.5073 PRESSURE: 1399600 180.285 -143.222 -3.34348 -143.222 107.706 19.7077 -3.34255 19.7083 216.703 GPRESSURE: 1399600 241.757 -68.6683 66.5524 -169.894 145.153 39.6655 -57.8255 31.9417 221.877 PRESSAVG: 1399600 38.12 -31.1276 -11.3139 -31.1277 6.89748 -74.5775 -11.3139 -74.5774 -22.3379 GPRESSAVG: 1399600 38.2216 -28.8445 -11.9198 -33.1586 6.91631 -77.0028 -11.1165 -72.5891 -22.1756 TIMING: 1399600 CPU: 4213.1, 0.00301906/step Wall: 4213.1, 0.00301906/step, 3.01939 hours remaining, 207.101562 MB of memory in use. ENERGY: 1399600 751.8394 2088.0114 1924.6595 124.7350 -206709.6764 18109.1067 0.0000 0.0000 34366.5546 -149344.7697 300.1317 -183711.3243 -149251.2207 298.9779 168.2312 202.9290 555577.7579 7.5599 7.6541 PRESSURE: 1399800 18.2686 39.0832 -37.6397 39.0843 -163.14 120.912 -37.6389 120.912 38.2146 GPRESSURE: 1399800 8.17747 18.5775 16.0789 103.762 -75.5046 93.3638 -89.4563 58.6763 55.6602 PRESSAVG: 1399800 32.5648 -46.4349 47.4904 -46.4349 -54.4928 27.9386 47.4905 27.9387 29.417 GPRESSAVG: 1399800 32.1234 -47.76 46.5498 -45.0031 -52.7787 29.6305 47.4615 24.8298 28.905 TIMING: 1399800 CPU: 4213.71, 0.00303625/step Wall: 4213.71, 0.00303625/step, 3.03642 hours remaining, 207.167969 MB of memory in use. ENERGY: 1399800 734.8124 2114.5147 1918.6886 125.3616 -206215.0346 17815.8070 0.0000 0.0000 34335.1864 -149170.6640 299.8577 -183505.8503 -149074.3337 299.3249 -35.5522 -3.8890 558329.5514 2.4964 2.7499 PRESSURE: 1400000 -10.6844 11 23.4618 11.0002 -145.597 -13.2655 23.4618 -13.2643 -171.625 GPRESSURE: 1400000 -3.83388 15.3918 19.6818 56.0549 -76.8786 -41.4919 28.7052 37.1118 -149.562 PRESSAVG: 1400000 46.4987 -38.2545 -0.156051 -38.2546 -8.84 0.554892 -0.156074 0.554805 -39.0956 GPRESSAVG: 1400000 48.4691 -38.0608 3.17021 -37.4801 -9.90806 -2.67305 -2.77077 3.49627 -40.2832 TIMING: 1400000 CPU: 4214.31, 0.00301813/step Wall: 4214.31, 0.00301813/step, 3.01813 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: 1400000 769.7954 2125.1394 1936.7978 106.8971 -206296.9965 17727.7176 0.0000 0.0000 34315.3407 -149315.3084 299.6844 -183630.6491 -149218.7841 299.3381 -109.3023 -76.7580 556749.0968 -0.4790 -0.5741 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1400000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 1400000 WRITING COORDINATES TO RESTART FILE AT STEP 1400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1400200 53.6986 54.5795 -107.946 54.5798 32.8703 91.8895 -107.947 91.8886 -8.51774 GPRESSURE: 1400200 46.7177 134.163 -96.0191 42.9249 86.2076 108.867 -120.805 132.509 50.8648 PRESSAVG: 1400200 -14.9765 40.0228 -24.2416 40.0229 42.6076 -3.05127 -24.2416 -3.05133 22.8184 GPRESSAVG: 1400200 -16.2912 40.1227 -24.1528 38.9239 42.6816 0.73942 -22.7507 -5.41775 23.9904 TIMING: 1400200 CPU: 4214.94, 0.00310692/step Wall: 4214.94, 0.00310692/step, 3.10674 hours remaining, 207.292969 MB of memory in use. ENERGY: 1400200 778.2467 2107.5023 1946.9232 106.6699 -206529.6301 18035.1723 0.0000 0.0000 34266.2583 -149288.8574 299.2558 -183555.1157 -149191.5183 299.2209 26.0171 61.2634 557347.3251 16.8165 16.7936 LDB: ============= START OF LOAD BALANCING ============== 4218.46 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4218.46 LDB: =============== DONE WITH MIGRATION ================ 4218.46 LDB: ============= START OF LOAD BALANCING ============== 4218.76 LDB: Largest compute 4800 load 0.028816 is 24.4% of average load 0.117873 LDB: Average compute 0.001738 is 1.5% of average load 0.117873 LDB: TIME 4218.77 LOAD: AVG 0.117873 MAX 0.21832 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.711 MB LDB: TIME 4218.77 LOAD: AVG 0.117873 MAX 0.21832 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.914 MB LDB: TIME 4218.77 LOAD: AVG 0.117873 MAX 0.21832 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.914 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4218.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4218.77 PRESSURE: 1400400 -200.463 -71.4555 -43.7123 -71.4558 25.9469 197.665 -43.7127 197.666 -52.1201 GPRESSURE: 1400400 -225.783 -70.8519 7.88497 -69.938 77.381 116.389 -63.8883 173.401 4.96435 PRESSAVG: 1400400 31.8652 -49.0829 -4.25799 -49.0829 -25.4423 76.1766 -4.25809 76.1767 12.576 GPRESSAVG: 1400400 32.072 -50.5124 -6.37798 -48.0668 -24.7132 74.3497 -3.66524 77.1471 11.7286 TIMING: 1400400 CPU: 4215.56, 0.00309985/step Wall: 4215.56, 0.00309985/step, 3.09951 hours remaining, 207.562500 MB of memory in use. ENERGY: 1400400 743.4041 2119.3636 1907.0253 125.1083 -206017.4812 17460.5866 0.0000 0.0000 34275.1767 -149386.8167 299.3336 -183661.9933 -149287.6961 299.5458 -75.5453 -47.8126 557234.0965 6.3330 6.3625 PRESSURE: 1400600 151.249 78.6944 110.281 78.693 318.262 137.644 110.28 137.644 366.286 GPRESSURE: 1400600 225.226 157.014 135.939 62.8181 371.012 100.41 93.5748 164.441 347.276 PRESSAVG: 1400600 -17.8578 -3.96573 7.28304 -3.96577 2.81084 16.6266 7.2831 16.6267 -36.6761 GPRESSAVG: 1400600 -17.5148 -1.95214 8.17655 -6.21931 2.37082 15.3983 7.46459 16.3799 -36.6333 TIMING: 1400600 CPU: 4216.16, 0.00304253/step Wall: 4216.16, 0.00304253/step, 3.04203 hours remaining, 207.562500 MB of memory in use. ENERGY: 1400600 760.1434 2157.5485 1927.0607 118.1800 -206808.7655 18242.5075 0.0000 0.0000 34231.6317 -149371.6935 298.9534 -183603.3252 -149280.6733 299.6037 278.5991 314.5046 554962.7816 -17.2410 -17.2591 PRESSURE: 1400800 161.655 -38.3575 -25.2895 -38.359 -45.4438 13.8751 -25.2904 13.8745 204.218 GPRESSURE: 1400800 212.601 20.4732 -27.5165 -81.0578 -49.0769 -58.8193 37.464 -20.7438 264.055 PRESSAVG: 1400800 -57.1238 5.19489 32.6944 5.19489 4.58392 22.1848 32.6943 22.1848 60.9284 GPRESSAVG: 1400800 -56.6212 4.22341 33.5686 6.53204 3.79676 23.6358 33.4817 22.8579 61.2201 TIMING: 1400800 CPU: 4216.77, 0.00303757/step Wall: 4216.77, 0.00303757/step, 3.03689 hours remaining, 207.562500 MB of memory in use. ENERGY: 1400800 768.1247 2086.8480 1923.1330 126.1575 -206222.5498 17742.0950 0.0000 0.0000 34250.9830 -149325.2087 299.1224 -183576.1917 -149238.2407 299.5016 106.8097 142.5265 555657.2292 2.7961 2.7986 PRESSURE: 1401000 -66.4616 187.443 169.497 187.444 204.223 57.1956 169.498 57.1956 107.266 GPRESSURE: 1401000 -23.885 134.181 170.358 167.834 265.41 45.9554 167.4 37.2871 100.407 PRESSAVG: 1401000 96.5297 37.9083 24.6232 37.9083 -49.1308 9.85141 24.6232 9.85125 24.0408 GPRESSAVG: 1401000 95.0081 39.5931 23.3223 36.7188 -48.8588 9.04247 23.3141 11.5202 25.1656 TIMING: 1401000 CPU: 4217.38, 0.0030393/step Wall: 4217.38, 0.0030393/step, 3.03846 hours remaining, 207.562500 MB of memory in use. ENERGY: 1401000 770.7854 2091.0904 1944.4319 110.6609 -206326.6991 17880.5713 0.0000 0.0000 34378.8226 -149150.3366 300.2388 -183529.1592 -149061.1240 299.4990 81.6760 113.9775 557315.3084 23.8132 23.7716 PRESSURE: 1401200 55.702 -70.9837 68.8382 -70.9839 -185.246 67.8696 68.8363 67.8692 -85.2343 GPRESSURE: 1401200 45.2203 -32.5908 90.6994 -102.898 -121.54 92.8985 28.4803 82.9111 -38.578 PRESSAVG: 1401200 28.4272 -1.86453 16.5589 -1.86446 2.05902 -4.02132 16.5589 -4.02145 -34.3493 GPRESSAVG: 1401200 29.4062 -3.08727 17.0588 -1.27821 1.95784 -2.53264 17.5269 -6.43117 -35.483 TIMING: 1401200 CPU: 4217.98, 0.00301898/step Wall: 4217.98, 0.00301898/step, 3.01798 hours remaining, 207.562500 MB of memory in use. ENERGY: 1401200 780.8312 2071.9321 1937.1242 114.7108 -206355.3626 17762.4249 0.0000 0.0000 34266.9916 -149421.3478 299.2622 -183688.3394 -149322.6368 298.6996 -71.5926 -38.2993 557360.0159 -1.2877 -1.3730 PRESSURE: 1401400 -127.098 -2.08188 -48.8859 -2.08274 -89.3389 -62.8966 -48.8869 -62.8973 -32.7504 GPRESSURE: 1401400 -130.586 -36.0634 -15.5061 -16.5751 -13.6476 -99.1169 -78.2572 28.0467 0.040751 PRESSAVG: 1401400 12.1245 22.2863 25.6337 22.2863 41.7757 -16.8507 25.6338 -16.8507 13.7664 GPRESSAVG: 1401400 11.6222 25.253 25.3035 22.7389 41.3436 -18.0281 24.7561 -15.7833 15.0067 TIMING: 1401400 CPU: 4218.59, 0.00304434/step Wall: 4218.59, 0.00304434/step, 3.04316 hours remaining, 207.562500 MB of memory in use. ENERGY: 1401400 765.4120 2081.1877 1915.7394 115.6435 -205994.5039 17561.2465 0.0000 0.0000 34133.7957 -149421.4791 298.0989 -183555.2748 -149329.3219 298.8994 -83.0624 -48.0642 556726.7914 22.5555 22.6575 PRESSURE: 1401600 -66.6517 -116.265 166.28 -116.265 -78.26 119.619 166.281 119.62 -114.322 GPRESSURE: 1401600 -65.5987 -93.9455 150.649 -101.598 -4.62906 146.189 89.0174 163.644 -80.5908 PRESSAVG: 1401600 21.8383 28.7755 7.72651 28.7755 -15.2873 0.646587 7.72656 0.646531 -18.1362 GPRESSAVG: 1401600 22.2955 25.3415 9.58634 26.7546 -14.754 -0.656234 6.52398 1.07208 -18.8335 TIMING: 1401600 CPU: 4219.2, 0.00302593/step Wall: 4219.2, 0.00302593/step, 3.02459 hours remaining, 207.562500 MB of memory in use. ENERGY: 1401600 727.6626 2100.8223 1919.5870 118.6160 -206189.4782 17655.3418 0.0000 0.0000 34240.0999 -149427.3487 299.0273 -183667.4486 -149341.2933 299.3500 -86.4112 -50.2728 557212.9064 -3.8617 -3.7640 PRESSURE: 1401800 19.6634 137.182 -69.4276 137.182 330.307 -79.9481 -69.4284 -79.9458 170.494 GPRESSURE: 1401800 86.5707 109.185 -150.798 176.014 364.887 -50.5195 14.0517 -119.884 167.752 PRESSAVG: 1401800 58.1438 47.8653 24.6009 47.8653 32.1449 1.97607 24.6009 1.97602 -44.6834 GPRESSAVG: 1401800 57.823 48.7237 21.5253 46.9211 31.5317 4.51615 24.2516 -0.837187 -44.0908 TIMING: 1401800 CPU: 4219.81, 0.00306848/step Wall: 4219.81, 0.00306848/step, 3.06695 hours remaining, 207.562500 MB of memory in use. ENERGY: 1401800 704.9875 2122.6950 1936.6444 113.4890 -206621.8806 18005.4591 0.0000 0.0000 34184.9309 -149553.6748 298.5455 -183738.6056 -149453.2613 298.8839 173.4878 206.4035 555349.5247 15.2017 15.0880 PRESSURE: 1402000 23.2415 -21.6182 151.652 -21.6174 87.8786 149.999 151.652 149.998 -70.4541 GPRESSURE: 1402000 38.5623 16.6646 40.8167 -75.4906 102.462 122.132 112.197 110.992 -3.4198 PRESSAVG: 1402000 9.50065 67.4175 11.1355 67.4175 2.43849 43.701 11.1354 43.701 -60.8201 GPRESSAVG: 1402000 10.5464 66.7242 11.6844 69.5128 1.57561 42.475 11.763 45.3812 -61.9156 TIMING: 1402000 CPU: 4220.42, 0.00306025/step Wall: 4220.42, 0.00306025/step, 3.05855 hours remaining, 207.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1402000 728.8505 2054.4639 1933.1383 111.5623 -206172.9615 17755.1401 0.0000 0.0000 34231.8920 -149357.9144 298.9556 -183589.8064 -149261.0970 298.5751 13.5553 45.8682 556687.0488 -16.2937 -16.5979 PRESSURE: 1402200 -0.331411 -29.9192 129.461 -29.9207 14.9122 137.141 129.461 137.141 66.3499 GPRESSURE: 1402200 -1.57765 -11.0634 63.6384 -18.2331 108.316 144.746 175.426 126.993 70.5206 PRESSAVG: 1402200 10.4922 10.8787 41.4057 10.8787 39.3824 71.2197 41.4057 71.2197 -90.0888 GPRESSAVG: 1402200 10.141 9.52311 40.9108 9.13292 39.457 71.899 41.6909 70.0515 -89.3876 TIMING: 1402200 CPU: 4221.05, 0.0031269/step Wall: 4221.05, 0.0031269/step, 3.12499 hours remaining, 207.562500 MB of memory in use. ENERGY: 1402200 749.9810 2106.7677 1936.8432 115.5067 -206071.1738 17721.6319 0.0000 0.0000 34136.8254 -149303.6180 298.1254 -183440.4434 -149200.3987 299.3568 26.9769 59.0863 556941.4905 -13.4047 -13.2632 PRESSURE: 1402400 -113.494 29.2928 151.131 29.2925 180.295 -45.6255 151.13 -45.6248 73.6347 GPRESSURE: 1402400 -54.55 61.4909 81.3925 9.93033 160.515 31.6776 111.787 -74.26 119.319 PRESSAVG: 1402400 25.5445 -5.16421 -19.288 -5.16419 -39.1349 79.7549 -19.288 79.755 8.22767 GPRESSAVG: 1402400 24.6908 -3.72164 -17.4076 -4.05314 -37.8521 81.6972 -20.5301 80.7724 7.61703 TIMING: 1402400 CPU: 4221.66, 0.00305069/step Wall: 4221.66, 0.00305069/step, 3.04866 hours remaining, 207.562500 MB of memory in use. ENERGY: 1402400 747.8024 2129.4192 1955.3495 109.6543 -206581.8378 18021.2781 0.0000 0.0000 34166.8632 -149451.4713 298.3877 -183618.3345 -149357.3350 298.7519 46.8118 75.0947 557595.0853 -1.7876 -1.8481 PRESSURE: 1402600 87.8488 16.2683 92.3999 16.2696 224.585 161.936 92.4 161.935 358.654 GPRESSURE: 1402600 126.37 24.1687 158.489 -28.2566 306.03 179.242 -15.7901 117.517 335.78 PRESSAVG: 1402600 52.7091 1.39991 0.37529 1.39982 18.2066 36.3243 0.375315 36.3243 -38.7603 GPRESSAVG: 1402600 51.2813 0.973593 -3.73407 0.853731 18.4318 32.4817 0.526776 37.2191 -37.8881 TIMING: 1402600 CPU: 4222.27, 0.0030569/step Wall: 4222.27, 0.0030569/step, 3.05469 hours remaining, 207.562500 MB of memory in use. ENERGY: 1402600 711.2876 2140.3904 1963.0209 117.7759 -206358.7601 17985.6563 0.0000 0.0000 34146.3419 -149294.2872 298.2085 -183440.6291 -149194.7247 299.2565 223.6962 256.0601 556316.1391 10.7185 10.6084 PRESSURE: 1402800 31.2821 -71.9416 -68.5951 -71.9422 -15.1858 3.01007 -68.5927 3.0085 13.6194 GPRESSURE: 1402800 82.372 -38.0845 -76.1104 -91.0975 -30.087 -6.36846 -52.4211 60.0683 81.4802 PRESSAVG: 1402800 30.2452 60.5541 -0.720334 60.5542 -26.8427 -15.9165 -0.720252 -15.9165 12.6765 GPRESSAVG: 1402800 32.3021 60.5773 2.68117 61.2082 -27.4374 -15.5703 -0.167072 -14.9977 11.3268 TIMING: 1402800 CPU: 4222.87, 0.00302015/step Wall: 4222.87, 0.00302015/step, 3.0178 hours remaining, 207.562500 MB of memory in use. ENERGY: 1402800 780.8154 2093.1633 1930.3293 109.8594 -206387.0186 18055.4786 0.0000 0.0000 34212.4004 -149204.9722 298.7854 -183417.3726 -149115.6501 298.5197 9.9053 44.5884 557716.4269 5.3597 5.3972 PRESSURE: 1403000 -195.106 67.6669 -155.623 67.6669 -31.1701 -49.0905 -155.623 -49.0916 146.566 GPRESSURE: 1403000 -85.1144 16.1697 -180.945 72.3808 -24.7878 72.9107 -23.1257 -83.8853 144.017 PRESSAVG: 1403000 33.2105 -1.28033 -55.8474 -1.28035 -77.1329 -56.2622 -55.8475 -56.2623 64.5431 GPRESSAVG: 1403000 32.1605 0.312551 -58.0056 -3.37447 -77.1561 -54.7999 -55.0507 -57.7908 65.5443 TIMING: 1403000 CPU: 4223.48, 0.00302219/step Wall: 4223.48, 0.00302219/step, 3.01967 hours remaining, 207.562500 MB of memory in use. ENERGY: 1403000 799.6840 2166.2863 1918.8875 103.1938 -206226.1287 17832.7218 0.0000 0.0000 34149.4846 -149255.8707 298.2359 -183405.3553 -149158.8597 298.9892 -26.5702 11.3718 557221.2441 6.8736 6.8496 PRESSURE: 1403200 -439.823 75.3729 -88.738 75.3725 -336.599 7.57881 -88.7378 7.5778 -8.48746 GPRESSURE: 1403200 -396.64 27.1016 -11.0948 145.497 -296.569 -48.0363 -78.9599 52.912 12.2327 PRESSAVG: 1403200 -12.0657 -8.34495 -46.7263 -8.34494 12.5063 -27.5905 -46.7262 -27.5904 8.57626 GPRESSAVG: 1403200 -11.5591 -11.687 -46.6777 -4.23493 11.6287 -26.0058 -46.8189 -28.797 8.83896 TIMING: 1403200 CPU: 4224.09, 0.00305232/step Wall: 4224.09, 0.00305232/step, 3.04961 hours remaining, 207.562500 MB of memory in use. ENERGY: 1403200 771.1777 2145.1916 1912.9753 107.1514 -205982.0579 17511.0509 0.0000 0.0000 34293.6410 -149240.8700 299.4949 -183534.5110 -149139.8950 298.8103 -261.6365 -226.9923 557888.1906 3.0056 2.9695 PRESSURE: 1403400 -4.64346 -9.98133 -4.6019 -9.98157 -448.891 -185.336 -4.60207 -185.337 -474.472 GPRESSURE: 1403400 -22.8275 5.70563 -31.1516 -3.8121 -380.633 -222.853 -16.8689 -207.28 -427.281 PRESSAVG: 1403400 19.7951 21.3797 26.1266 21.3797 -45.2787 24.4777 26.1266 24.4778 1.39478 GPRESSAVG: 1403400 19.5369 21.9194 27.4051 18.2115 -44.8315 21.8637 27.0612 25.6873 1.34406 TIMING: 1403400 CPU: 4224.7, 0.00303201/step Wall: 4224.7, 0.00303201/step, 3.02914 hours remaining, 207.562500 MB of memory in use. ENERGY: 1403400 765.9128 2118.1425 1930.3737 118.2447 -205647.2024 17328.6789 0.0000 0.0000 34304.7949 -149081.0548 299.5923 -183385.8497 -148984.8922 299.3175 -309.3356 -276.9137 558991.5759 -8.0296 -7.9835 PRESSURE: 1403600 -192.091 77.3256 -68.3943 77.3253 -45.6652 -50.3315 -68.3951 -50.3319 340.051 GPRESSURE: 1403600 -102.68 144.047 -110.423 121.482 31.5066 -108.376 -44.1077 5.94558 260.485 PRESSAVG: 1403600 -51.4456 15.8747 -7.09751 15.8748 33.5151 -73.0882 -7.09751 -73.0882 51.1269 GPRESSAVG: 1403600 -52.3066 16.8149 -8.42888 16.4639 35.1769 -72.617 -9.91473 -75.3144 50.5918 TIMING: 1403600 CPU: 4225.3, 0.00302994/step Wall: 4225.3, 0.00302994/step, 3.02691 hours remaining, 207.562500 MB of memory in use. ENERGY: 1403600 720.2767 2122.8771 1954.5508 129.1252 -206168.1402 17682.7273 0.0000 0.0000 34410.3158 -149148.2673 300.5138 -183558.5831 -149055.2785 299.5044 34.0983 63.1038 556962.2635 11.0655 11.1540 PRESSURE: 1403800 151.462 -59.7695 71.5594 -59.7683 -259.058 -59.5619 71.5591 -59.5603 -138.533 GPRESSURE: 1403800 133.95 -25.8439 -15.4137 -84.8191 -203.008 1.3368 53.8018 -101.021 -84.9192 PRESSAVG: 1403800 24.3943 5.27937 -2.05697 5.27927 11.8919 -33.5119 -2.05694 -33.5119 -20.575 GPRESSAVG: 1403800 24.5698 5.83279 -1.33969 7.18599 10.8187 -32.1011 -0.543646 -33.5956 -19.8833 TIMING: 1403800 CPU: 4225.91, 0.00302462/step Wall: 4225.91, 0.00302462/step, 3.02143 hours remaining, 207.562500 MB of memory in use. ENERGY: 1403800 773.8525 2099.9146 1922.7671 110.3925 -206006.1573 17660.3423 0.0000 0.0000 34471.6673 -148967.2210 301.0496 -183438.8884 -148871.2793 299.4005 -82.0430 -51.3256 558332.9769 5.2371 5.1684 PRESSURE: 1404000 -102.854 -173.933 111.122 -173.936 -288.284 107.514 111.122 107.514 -34.2809 GPRESSURE: 1404000 -36.5477 -197.416 108.642 -112.355 -251.038 159.472 97.3347 102.591 -45.9544 PRESSAVG: 1404000 63.0427 0.858851 -16.3504 0.858842 -22.5229 8.38725 -16.3503 8.38716 -37.0219 GPRESSAVG: 1404000 64.5298 0.387821 -16.1926 1.03774 -22.8838 8.94964 -16.5262 7.71705 -38.0112 TIMING: 1404000 CPU: 4226.52, 0.00305072/step Wall: 4226.52, 0.00305072/step, 3.04733 hours remaining, 207.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1404000 734.2032 2159.7597 1915.8216 102.8170 -205639.8801 17487.0648 0.0000 0.0000 34289.8869 -148950.3269 299.4621 -183240.2138 -148854.0708 299.8963 -141.8062 -111.1801 558208.7208 1.1659 1.2116 PRESSURE: 1404200 -322.346 -33.9511 -39.5204 -33.951 21.6944 -4.89259 -39.5204 -4.89152 -156.677 GPRESSURE: 1404200 -278.779 27.5355 -79.8346 -121.861 69.8597 -50.0558 38.6054 -3.9528 -150.342 PRESSAVG: 1404200 37.924 -63.9095 5.29607 -63.9096 -22.6954 -41.0414 5.29615 -41.0414 -23.0061 GPRESSAVG: 1404200 36.6876 -64.0512 3.94746 -63.8468 -23.4677 -43.996 3.50677 -40.0121 -20.3391 TIMING: 1404200 CPU: 4227.13, 0.00304973/step Wall: 4227.13, 0.00304973/step, 3.04618 hours remaining, 207.562500 MB of memory in use. ENERGY: 1404200 738.0824 2181.9187 1924.8157 116.0357 -206073.6462 17598.4606 0.0000 0.0000 34368.2598 -149146.0733 300.1466 -183514.3330 -149051.0931 300.0215 -152.4430 -119.7537 556532.4632 -2.5925 -2.3730 LDB: ============= START OF LOAD BALANCING ============== 4230.65 LDB: ============== END OF LOAD BALANCING =============== 4230.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4230.65 LDB: ============= START OF LOAD BALANCING ============== 4230.96 LDB: Largest compute 4800 load 0.028447 is 24.1% of average load 0.117957 LDB: Average compute 0.001740 is 1.5% of average load 0.117957 LDB: TIME 4230.96 LOAD: AVG 0.117957 MAX 0.218176 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.133 MB LDB: TIME 4230.96 LOAD: AVG 0.117957 MAX 0.218176 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.336 MB LDB: TIME 4230.96 LOAD: AVG 0.117957 MAX 0.218176 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.336 MB LDB: ============== END OF LOAD BALANCING =============== 4230.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4230.97 PRESSURE: 1404400 20.8698 -0.387992 -160.933 -0.388456 -35.772 -112.992 -160.932 -112.993 -311.33 GPRESSURE: 1404400 69.4394 112.793 -78.7934 -132.205 7.19557 -166.244 -288.787 -34.1446 -310.899 PRESSAVG: 1404400 43.9389 -32.7999 -29.1718 -32.7999 8.11007 23.9737 -29.1718 23.9737 -84.9159 GPRESSAVG: 1404400 43.4451 -32.165 -28.1695 -34.8408 9.61394 26.1949 -29.421 22.483 -85.4897 TIMING: 1404400 CPU: 4227.75, 0.00310858/step Wall: 4227.75, 0.00310858/step, 3.10479 hours remaining, 206.734375 MB of memory in use. ENERGY: 1404400 758.3608 2154.6158 1949.7479 117.8259 -206143.9529 17831.0769 0.0000 0.0000 34208.7435 -149123.5821 298.7535 -183332.3256 -149030.1721 299.2956 -108.7441 -78.0880 556680.2886 -10.9556 -10.8102 PRESSURE: 1404600 -13.4431 -57.0464 115.577 -57.0467 50.7994 -35.9926 115.576 -35.9918 226.523 GPRESSURE: 1404600 10.0426 -32.6656 95.9152 -46.1937 82.163 -49.2603 270.947 19.6103 262.351 PRESSAVG: 1404600 11.5188 -20.7093 -70.0207 -20.7094 -35.8675 6.48307 -70.0208 6.48311 -42.5454 GPRESSAVG: 1404600 12.9027 -22.4825 -70.1409 -18.3567 -36.4022 5.4831 -69.1237 11.1593 -43.4051 TIMING: 1404600 CPU: 4228.36, 0.00305187/step Wall: 4228.36, 0.00305187/step, 3.04797 hours remaining, 206.734375 MB of memory in use. ENERGY: 1404600 735.1392 2210.9768 1940.2633 118.1368 -206394.9293 17796.3068 0.0000 0.0000 34338.7147 -149255.3916 299.8885 -183594.1063 -149157.0208 298.7229 87.9597 118.1855 554890.1535 -22.2981 -22.3015 PRESSURE: 1404800 87.8253 -20.0771 9.36827 -20.0771 -162.763 161.6 9.36911 161.6 -18.9583 GPRESSURE: 1404800 93.8048 18.8385 36.2748 50.7381 -109.748 70.0829 -7.70623 201.591 18.9178 PRESSAVG: 1404800 20.718 8.1001 28.567 8.10011 -22.3076 22.7565 28.5669 22.7565 23.9492 GPRESSAVG: 1404800 19.3927 9.7323 29.9625 5.9193 -22.945 24.5306 26.3735 21.4729 26.0229 TIMING: 1404800 CPU: 4228.97, 0.0030391/step Wall: 4228.97, 0.0030391/step, 3.03504 hours remaining, 206.734375 MB of memory in use. ENERGY: 1404800 746.4089 2147.7415 1929.6435 127.0037 -206175.4482 17544.4896 0.0000 0.0000 34445.3238 -149234.8372 300.8196 -183680.1610 -149145.0044 300.0083 -31.2988 0.9917 555829.8113 7.4532 7.4902 PRESSURE: 1405000 137.806 -47.109 -34.9234 -47.1097 -179.435 79.8658 -34.9235 79.8657 35.5833 GPRESSURE: 1405000 123.772 47.6525 -59.515 -129.625 -143.432 130.211 41.4555 -7.6976 100.731 PRESSAVG: 1405000 20.3059 -65.2898 57.7399 -65.2899 -33.603 -0.932384 57.74 -0.932267 24.3689 GPRESSAVG: 1405000 21.3662 -65.9312 56.5302 -62.7423 -33.4533 -2.32099 60.4023 -1.08235 23.152 TIMING: 1405000 CPU: 4229.58, 0.0030483/step Wall: 4229.58, 0.0030483/step, 3.04407 hours remaining, 206.734375 MB of memory in use. ENERGY: 1405000 700.9281 2151.5209 1947.1190 113.4049 -206268.9004 17773.0830 0.0000 0.0000 34193.9330 -149388.9116 298.6241 -183582.8446 -149298.3346 299.5080 -2.0153 27.0239 556739.5378 3.6906 3.6883 PRESSURE: 1405200 4.55951 44.6172 44.4854 44.6162 106.241 -81.2691 44.4855 -81.2687 145.726 GPRESSURE: 1405200 -6.64685 73.0662 157.254 118.038 156.386 -19.2285 55.512 -118.43 210.539 PRESSAVG: 1405200 -40.218 -52.5864 27.8915 -52.5865 -18.2858 -15.0569 27.8914 -15.0569 33.7768 GPRESSAVG: 1405200 -40.5741 -51.9457 27.6542 -53.4364 -17.5474 -15.4626 26.8619 -14.5971 33.9132 TIMING: 1405200 CPU: 4230.19, 0.00305747/step Wall: 4230.19, 0.00305747/step, 3.05306 hours remaining, 206.734375 MB of memory in use. ENERGY: 1405200 774.7232 2081.7635 1921.2013 130.5917 -206604.6521 17909.1853 0.0000 0.0000 34449.6571 -149337.5301 300.8574 -183787.1872 -149242.0657 299.2773 85.5088 120.0927 555953.0608 -8.2423 -8.0694 PRESSURE: 1405400 -167.994 110.946 73.5529 110.945 -158.474 61.4593 73.5537 61.457 69.0007 GPRESSURE: 1405400 -133.25 78.1458 -13.2739 153.315 -88.7901 69.3633 35.6 15.6934 66.5521 PRESSAVG: 1405400 -33.2752 11.1392 48.457 11.1393 -8.70825 -29.4834 48.457 -29.4834 18.4046 GPRESSAVG: 1405400 -33.9233 12.1529 48.0905 10.5516 -8.37888 -26.8638 48.1576 -32.0265 19.0982 TIMING: 1405400 CPU: 4230.81, 0.00309088/step Wall: 4230.81, 0.00309088/step, 3.08625 hours remaining, 206.734375 MB of memory in use. ENERGY: 1405400 756.5921 2118.9292 1927.1273 99.7183 -206094.6764 17596.3334 0.0000 0.0000 34184.8267 -149411.1495 298.5446 -183595.9761 -149311.4091 298.7855 -85.8225 -51.8294 556287.0236 -7.8596 -7.7347 PRESSURE: 1405600 -111.427 -0.119128 -28.3217 -0.119688 -90.3122 -133.776 -28.3213 -133.774 159.866 GPRESSURE: 1405600 -115.042 39.2511 -124.75 -45.0447 -10.8068 -78.0927 22.6143 -28.2958 197.273 PRESSAVG: 1405600 -44.1364 15.969 41.5739 15.969 45.333 45.8314 41.5738 45.8314 57.7074 GPRESSAVG: 1405600 -43.9964 14.7863 43.2897 15.0703 45.4474 44.6371 41.757 46.2488 57.8442 TIMING: 1405600 CPU: 4231.42, 0.00307934/step Wall: 4231.42, 0.00307934/step, 3.07455 hours remaining, 206.734375 MB of memory in use. ENERGY: 1405600 779.0357 2151.7470 1948.6201 112.7873 -206116.2316 17694.5260 0.0000 0.0000 34177.3799 -149252.1356 298.4796 -183429.5155 -149151.0395 298.4362 -13.9578 23.8080 555540.8344 19.6347 19.7650 PRESSURE: 1405800 7.2211 -97.1141 108.387 -97.1141 80.5244 -46.6706 108.388 -46.6697 -52.3881 GPRESSURE: 1405800 46.7382 -74.3201 124.681 -94.0056 102.545 39.7308 67.3531 -113.293 -18.1441 PRESSAVG: 1405800 -50.7782 -32.4008 -11.3033 -32.4007 -41.7376 49.4594 -11.3033 49.4593 45.9765 GPRESSAVG: 1405800 -50.1879 -33.3655 -14.7474 -31.4979 -40.8994 50.2582 -10.5093 49.4132 44.8469 TIMING: 1405800 CPU: 4232.04, 0.00308514/step Wall: 4232.04, 0.00308514/step, 3.08017 hours remaining, 206.734375 MB of memory in use. ENERGY: 1405800 751.4536 2145.0199 1938.6634 106.4613 -206351.3053 17786.9735 0.0000 0.0000 34176.1982 -149446.5355 298.4692 -183622.7337 -149352.6696 298.4967 11.7858 43.7131 555905.4007 -15.5131 -15.4135 PRESSURE: 1406000 -165.517 -51.9387 35.1724 -51.9383 -60.3587 73.948 35.1724 73.9489 -464.967 GPRESSURE: 1406000 -107.58 -19.5285 -2.21067 -101.948 -79.4247 90.7303 37.4555 0.379653 -392.786 PRESSAVG: 1406000 7.2584 -11.0507 19.2125 -11.0505 20.2422 55.687 19.2126 55.687 -6.06505 GPRESSAVG: 1406000 6.27635 -8.32316 19.1048 -10.2662 20.2578 56.665 18.7967 54.6814 -4.65096 TIMING: 1406000 CPU: 4232.65, 0.00304215/step Wall: 4232.65, 0.00304215/step, 3.03708 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: 1406000 715.6836 2158.6337 1930.8146 106.6277 -206114.7369 17544.9174 0.0000 0.0000 34248.4045 -149409.6554 299.0998 -183658.0599 -149307.7723 299.1417 -230.2812 -193.2635 558916.3515 7.1452 7.2944 PRESSURE: 1406200 108.422 -140.868 83.7206 -140.867 -219.01 -162.242 83.7205 -162.244 -187.33 GPRESSURE: 1406200 189.574 -109.136 106.272 -92.4059 -205.16 -123.777 149.693 -209.358 -192.559 PRESSAVG: 1406200 64.6211 -3.76225 8.7655 -3.76226 1.46061 -47.2894 8.76544 -47.2894 -51.2487 GPRESSAVG: 1406200 65.9811 -5.93123 10.362 -1.92292 0.904611 -48.4366 8.85244 -46.5896 -52.0064 TIMING: 1406200 CPU: 4233.25, 0.00303637/step Wall: 4233.25, 0.00303637/step, 3.03114 hours remaining, 206.734375 MB of memory in use. ENERGY: 1406200 767.2401 2098.0505 1948.2787 111.1114 -206188.0612 17679.7647 0.0000 0.0000 34046.0218 -149537.5940 297.3324 -183583.6158 -149440.9494 299.0911 -99.3062 -69.3817 557299.4232 4.9443 4.9598 PRESSURE: 1406400 -257.874 -135.634 -131.438 -135.634 -285.406 -56.2093 -131.439 -56.2093 -123.731 GPRESSURE: 1406400 -239.26 -35.1302 -96.6943 -88.5483 -197.918 -87.0299 7.13622 -38.7716 -126.61 PRESSAVG: 1406400 -31.6632 -21.3318 -37.8719 -21.3318 -18.6112 5.94993 -37.8719 5.94995 74.6135 GPRESSAVG: 1406400 -32.5157 -19.7781 -38.1722 -23.5285 -18.6948 5.71004 -36.439 6.60885 75.4565 TIMING: 1406400 CPU: 4233.86, 0.0030295/step Wall: 4233.86, 0.0030295/step, 3.02411 hours remaining, 206.734375 MB of memory in use. ENERGY: 1406400 763.7544 2112.3566 1943.4762 107.6402 -206101.8762 17664.3756 0.0000 0.0000 34139.6058 -149370.6675 298.1497 -183510.2733 -149275.4789 298.6787 -222.3369 -187.9295 558225.0593 8.1130 8.0820 PRESSURE: 1406600 109.952 66.9041 -84.8881 66.905 208.318 65.2559 -84.8879 65.2567 35.9997 GPRESSURE: 1406600 120.03 131.097 -69.6367 36.4588 253.537 61.368 -39.6654 150.581 97.8557 PRESSAVG: 1406600 -29.2689 -13.668 10.3903 -13.6679 -18.9515 39.5061 10.3902 39.5061 41.5042 GPRESSAVG: 1406600 -28.6498 -11.95 11.5786 -15.4051 -18.1174 38.5707 11.6258 40.0052 40.5911 TIMING: 1406600 CPU: 4234.47, 0.00304581/step Wall: 4234.47, 0.00304581/step, 3.04023 hours remaining, 206.734375 MB of memory in use. ENERGY: 1406600 764.2524 2079.5267 1947.7228 99.1482 -206487.4867 18102.1398 0.0000 0.0000 34198.7042 -149295.9927 298.6658 -183494.6968 -149202.6430 298.8968 118.0900 157.1412 557454.7404 -2.2387 -2.0587 PRESSURE: 1406800 -187.51 73.5506 3.99729 73.5497 21.1474 -116.47 3.99682 -116.471 172.675 GPRESSURE: 1406800 -189.55 10.5569 -2.1325 92.8443 68.0306 -39.262 71.264 -201.933 209.278 PRESSAVG: 1406800 3.44336 12.9322 29.1257 12.9321 -56.53 33.6101 29.1256 33.61 32.4961 GPRESSAVG: 1406800 1.56188 11.0618 27.3041 14.3403 -55.5789 33.3191 26.9557 33.5525 32.9913 TIMING: 1406800 CPU: 4235.08, 0.00303251/step Wall: 4235.08, 0.00303251/step, 3.02678 hours remaining, 206.734375 MB of memory in use. ENERGY: 1406800 725.3228 2078.9514 1909.7518 113.5871 -206046.6449 17820.8355 0.0000 0.0000 34075.3956 -149322.8006 297.5889 -183398.1963 -149230.0471 299.1754 2.1044 29.2529 557495.5954 -6.8635 -7.0086 PRESSURE: 1407000 81.1956 57.1104 -20.415 57.1114 144.008 205.26 -20.4146 205.259 -12.6505 GPRESSURE: 1407000 91.0444 -28.8241 -64.842 75.4838 185.796 192.68 -36.9713 202.682 30.1851 PRESSAVG: 1407000 15.2685 10.2576 -0.140024 10.2577 -35.388 24.7791 -0.140037 24.7791 -24.9999 GPRESSAVG: 1407000 16.6115 10.1784 0.25852 10.7963 -36.0776 25.9877 -1.42341 23.4662 -25.4629 TIMING: 1407000 CPU: 4235.69, 0.00304884/step Wall: 4235.69, 0.00304884/step, 3.04291 hours remaining, 206.734375 MB of memory in use. ENERGY: 1407000 737.4477 2124.9421 1932.3273 120.6921 -206311.0728 17797.3155 0.0000 0.0000 34401.3396 -149197.0084 300.4355 -183598.3481 -149099.5967 299.3870 70.8509 102.3418 557598.7249 -15.0398 -14.9764 PRESSURE: 1407200 -110.589 -112.73 143.442 -112.73 73.9937 62.2191 143.443 62.2188 -29.1458 GPRESSURE: 1407200 -98.742 -141.877 59.652 -116.703 93.2805 99.8877 96.0454 -50.5108 42.7362 PRESSAVG: 1407200 54.7079 -31.4025 36.4351 -31.4024 23.0484 -46.418 36.4351 -46.4179 -70.9083 GPRESSAVG: 1407200 55.2181 -30.9934 37.3079 -34.4564 22.9769 -47.4359 37.3991 -45.1596 -71.244 TIMING: 1407200 CPU: 4236.29, 0.00303007/step Wall: 4236.29, 0.00303007/step, 3.02401 hours remaining, 206.734375 MB of memory in use. ENERGY: 1407200 734.5344 2063.8195 1901.6032 121.4259 -206073.5957 17691.1647 0.0000 0.0000 34445.5936 -149115.4545 300.8219 -183561.0481 -149014.8784 299.4798 -21.9136 12.4249 556135.4769 2.2827 2.3170 PRESSURE: 1407400 -450.159 -24.8748 -24.7363 -24.8749 123.16 -36.3888 -24.7364 -36.3883 -374.998 GPRESSURE: 1407400 -451.091 74.969 0.65024 -92.4636 153.947 -60.1469 -42.1881 -22.1117 -313.097 PRESSAVG: 1407400 -17.6284 -20.7185 8.3005 -20.7185 62.123 -36.6341 8.30045 -36.6341 -41.1257 GPRESSAVG: 1407400 -17.7964 -20.3606 7.42493 -19.0463 61.0419 -34.02 7.72771 -37.2946 -40.3175 TIMING: 1407400 CPU: 4236.9, 0.00304409/step Wall: 4236.9, 0.00304409/step, 3.03783 hours remaining, 206.734375 MB of memory in use. ENERGY: 1407400 769.1660 2034.9240 1929.8227 117.3254 -205658.8988 17489.3469 0.0000 0.0000 34143.3477 -149174.9661 298.1823 -183318.3138 -149080.9050 299.6538 -233.9990 -203.4134 559112.1385 1.1229 0.9760 PRESSURE: 1407600 -28.529 -15.3321 42.484 -15.3329 -68.6392 -28.928 42.4841 -28.9292 -217.239 GPRESSURE: 1407600 -15.8558 12.6864 40.744 42.4672 36.2532 -88.9992 102.003 2.55131 -245.883 PRESSAVG: 1407600 37.5807 -8.12486 24.8667 -8.1249 79.5615 -33.9444 24.8667 -33.9445 -59.9626 GPRESSAVG: 1407600 38.1153 -8.34909 26.4306 -7.7075 80.2824 -36.6129 23.3766 -32.1227 -60.7788 TIMING: 1407600 CPU: 4237.51, 0.00302981/step Wall: 4237.51, 0.00302981/step, 3.02342 hours remaining, 206.734375 MB of memory in use. ENERGY: 1407600 761.2253 2070.9346 1912.4460 97.5286 -205801.8450 17651.8662 0.0000 0.0000 34126.0379 -149181.8064 298.0312 -183307.8442 -149087.8833 299.2776 -104.8024 -75.1619 556738.3582 19.0599 19.2063 PRESSURE: 1407800 84.7215 32.3533 -54.4924 32.3537 -98.117 -67.4118 -54.4923 -67.4113 -280.692 GPRESSURE: 1407800 86.4011 63.5059 -31.2437 -5.04625 -89.1416 -145.288 -76.6722 -73.7524 -199.26 PRESSAVG: 1407800 91.5247 -3.606 -38.7092 -3.60595 2.39701 13.4817 -38.7092 13.4817 -50.8795 GPRESSAVG: 1407800 91.419 -6.92296 -38.1064 -0.716249 2.78631 9.82607 -38.9284 15.5038 -50.9519 TIMING: 1407800 CPU: 4238.11, 0.00303836/step Wall: 4238.11, 0.00303836/step, 3.03178 hours remaining, 206.734375 MB of memory in use. ENERGY: 1407800 734.9125 2103.5317 1940.3252 110.8266 -205328.9444 17425.6505 0.0000 0.0000 34069.5476 -148944.1503 297.5378 -183013.6979 -148850.9928 299.7104 -98.0291 -67.3337 557218.4614 14.3474 14.4178 PRESSURE: 1408000 105.027 27.8633 -95.0441 27.8639 -275.756 119.841 -95.0435 119.842 -221.865 GPRESSURE: 1408000 108.675 33.9891 -62.097 40.3876 -230.167 146.161 -103.884 150.404 -174.764 PRESSAVG: 1408000 58.2441 -35.1501 36.2991 -35.1501 -19.0937 -20.2088 36.299 -20.2088 -21.808 GPRESSAVG: 1408000 59.3429 -33.3081 35.7479 -37.4613 -18.9873 -16.9869 38.0865 -23.1944 -22.61 TIMING: 1408000 CPU: 4238.72, 0.00304933/step Wall: 4238.72, 0.00304933/step, 3.04255 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: 1408000 742.9751 2086.5144 1941.3535 106.2057 -205973.9934 17563.5564 0.0000 0.0000 34550.0611 -148983.3272 301.7343 -183533.3883 -148885.3922 299.9830 -130.8648 -98.7522 557210.9801 5.7808 5.9152 PRESSURE: 1408200 148.105 58.2739 159.011 58.275 330.284 44.057 159.011 44.056 -7.66078 GPRESSURE: 1408200 168.367 135.632 264.895 66.7575 288.124 82.8145 18.5445 7.23393 99.3463 PRESSAVG: 1408200 57.637 -14.3146 34.9148 -14.3146 23.6309 -34.9285 34.9147 -34.9285 -105.274 GPRESSAVG: 1408200 57.1146 -13.9268 32.6355 -15.0194 24.9039 -34.5028 36.7847 -36.7081 -105.859 TIMING: 1408200 CPU: 4239.34, 0.00305905/step Wall: 4239.34, 0.00305905/step, 3.05208 hours remaining, 206.734375 MB of memory in use. ENERGY: 1408200 706.9424 2069.5591 1927.4300 116.2294 -205697.0163 17792.6450 0.0000 0.0000 34161.3607 -148922.8496 298.3397 -183084.2103 -148828.3650 300.5714 156.9094 185.2790 557733.6943 -8.0019 -7.9467 LDB: ============= START OF LOAD BALANCING ============== 4242.86 LDB: ============== END OF LOAD BALANCING =============== 4242.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4242.86 LDB: ============= START OF LOAD BALANCING ============== 4243.17 LDB: Largest compute 4800 load 0.029732 is 25.2% of average load 0.117941 LDB: Average compute 0.001732 is 1.5% of average load 0.117941 LDB: TIME 4243.17 LOAD: AVG 0.117941 MAX 0.222942 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.785 MB LDB: TIME 4243.17 LOAD: AVG 0.117941 MAX 0.222942 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.988 MB LDB: TIME 4243.17 LOAD: AVG 0.117941 MAX 0.222942 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.988 MB LDB: ============== END OF LOAD BALANCING =============== 4243.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4243.18 PRESSURE: 1408400 -179.832 49.7399 -94.6893 49.7403 221.243 -112.893 -94.6894 -112.894 -56.5818 GPRESSURE: 1408400 -173.476 71.6161 -59.8969 -20.5129 255.267 -220.868 -56.9023 -177.495 -3.89301 PRESSAVG: 1408400 42.4486 38.8455 8.79651 38.8455 34.3964 -34.6172 8.79655 -34.6173 -45.4593 GPRESSAVG: 1408400 41.6435 39.1577 11.1553 39.0665 34.4022 -34.9998 6.08323 -32.9279 -44.5387 TIMING: 1408400 CPU: 4239.96, 0.00311293/step Wall: 4239.96, 0.00311293/step, 3.10566 hours remaining, 207.503906 MB of memory in use. ENERGY: 1408400 769.4375 2112.2941 1942.9140 116.6868 -206229.1163 17739.6373 0.0000 0.0000 34667.2271 -148880.9196 302.7575 -183548.1467 -148786.4145 300.4801 -5.0569 25.9659 556839.4171 10.4619 10.5023 PRESSURE: 1408600 -153.258 27.2262 10.8192 27.2281 66.1695 83.8086 10.8194 83.8077 22.1119 GPRESSURE: 1408600 -71.6301 53.6118 12.7215 9.46909 79.2386 36.9886 29.7348 38.9435 33.0463 PRESSAVG: 1408600 30.0245 2.51537 -11.7295 2.51538 6.79163 -22.5274 -11.7295 -22.5275 -33.7116 GPRESSAVG: 1408600 30.141 2.33245 -11.3227 2.14578 6.14411 -21.1508 -11.6974 -24.7128 -33.2596 TIMING: 1408600 CPU: 4240.57, 0.00304728/step Wall: 4240.57, 0.00304728/step, 3.04 hours remaining, 207.503906 MB of memory in use. ENERGY: 1408600 722.7755 2118.2045 1908.6195 115.9964 -205787.8644 17713.3848 0.0000 0.0000 34393.5037 -148815.3800 300.3670 -183208.8836 -148728.6092 300.7029 -21.6589 13.5516 556972.2128 1.0349 1.0085 PRESSURE: 1408800 19.1501 188.584 -76.2855 188.586 -138.671 159.86 -76.2879 159.859 -85.8556 GPRESSURE: 1408800 100.188 211.592 -89.6221 153.723 -188.483 145.692 -44.054 198.551 -12.4793 PRESSAVG: 1408800 57.6135 39.6791 38.7032 39.6791 -53.097 -1.11683 38.7033 -1.1168 27.2577 GPRESSAVG: 1408800 59.1582 40.0766 36.6421 41.0011 -53.8105 -1.25008 38.8664 0.936793 26.5298 TIMING: 1408800 CPU: 4241.18, 0.00306323/step Wall: 4241.18, 0.00306323/step, 3.05574 hours remaining, 207.503906 MB of memory in use. ENERGY: 1408800 739.8519 2092.5395 1934.2870 118.1055 -205655.7781 17565.8208 0.0000 0.0000 34392.3429 -148812.8305 300.3569 -183205.1735 -148723.1817 301.0082 -68.4588 -33.5915 556756.9085 10.5914 10.6258 PRESSURE: 1409000 152.436 28.1021 -96.2977 28.1015 21.231 94.01 -96.2993 94.0098 58.6214 GPRESSURE: 1409000 191.358 5.05213 -166.27 -4.85758 42.952 195.119 -53.9344 105.774 89.2162 PRESSAVG: 1409000 24.4016 64.7171 17.9812 64.717 -42.7277 -11.3526 17.9812 -11.3526 52.4945 GPRESSAVG: 1409000 23.2145 64.5898 18.3836 65.2453 -41.4244 -12.6922 17.3983 -12.1088 52.2721 TIMING: 1409000 CPU: 4241.79, 0.00304102/step Wall: 4241.79, 0.00304102/step, 3.03341 hours remaining, 207.503906 MB of memory in use. ENERGY: 1409000 751.3590 2041.7165 1921.0316 109.5672 -206022.9988 17880.8423 0.0000 0.0000 34457.6331 -148860.8490 300.9271 -183318.4822 -148764.0915 300.3721 77.4295 107.8420 559024.8512 11.3895 11.3541 PRESSURE: 1409200 -56.9123 153.999 -132.761 153.998 149.262 -31.1918 -132.762 -31.1933 -192.12 GPRESSURE: 1409200 -6.16429 133.092 -14.1245 73.6577 145.074 -45.9526 -181.772 1.03544 -136.216 PRESSAVG: 1409200 -31.5027 24.6817 -1.96688 24.6816 38.8245 -14.6001 -1.96683 -14.6001 5.1476 GPRESSAVG: 1409200 -32.113 23.3642 -2.33533 25.4666 37.8247 -14.8495 -0.779512 -14.3309 6.91046 TIMING: 1409200 CPU: 4242.39, 0.00302724/step Wall: 4242.39, 0.00302724/step, 3.0195 hours remaining, 207.503906 MB of memory in use. ENERGY: 1409200 749.1544 2094.3286 1916.5725 105.1256 -205952.2266 17822.9400 0.0000 0.0000 34363.4781 -148900.6274 300.1048 -183264.1056 -148802.1470 300.4363 -33.2569 0.8979 558627.7153 4.1565 4.2074 PRESSURE: 1409400 283.107 184.278 64.3734 184.279 159.241 -72.3224 64.3725 -72.3239 173.022 GPRESSURE: 1409400 286.451 211.581 51.8207 182.67 201.376 -15.3794 47.6477 -90.5868 224.696 PRESSAVG: 1409400 -20.7205 56.2494 -2.55282 56.2495 -33.5395 17.0301 -2.55288 17.0301 34.8461 GPRESSAVG: 1409400 -21.3741 55.232 -2.89231 54.8877 -32.3012 16.0633 -2.34871 18.4101 34.3092 TIMING: 1409400 CPU: 4243.01, 0.00306177/step Wall: 4243.01, 0.00306177/step, 3.05377 hours remaining, 207.503906 MB of memory in use. ENERGY: 1409400 721.0120 2093.8829 1909.7429 104.8240 -205827.4822 17930.8187 0.0000 0.0000 34285.6582 -148781.5435 299.4252 -183067.2017 -148679.5131 299.8541 205.1233 237.5074 558874.9148 -6.4713 -6.4554 PRESSURE: 1409600 -84.1772 -7.15656 -106.044 -7.15624 -151.331 -87.6455 -106.044 -87.6463 4.66231 GPRESSURE: 1409600 -42.9509 -28.474 -155.194 22.615 -102.304 -18.9129 -31.9933 -117.094 8.56006 PRESSAVG: 1409600 44.0075 72.1513 7.19337 72.1513 -75.0736 -15.7722 7.19324 -15.7723 14.2009 GPRESSAVG: 1409600 44.3609 72.404 7.77533 72.3677 -76.1776 -14.163 7.25133 -17.77 15.166 TIMING: 1409600 CPU: 4243.61, 0.00302946/step Wall: 4243.61, 0.00302946/step, 3.02138 hours remaining, 207.503906 MB of memory in use. ENERGY: 1409600 767.5095 2119.8012 1930.2228 115.5517 -205811.6152 17705.2978 0.0000 0.0000 34364.5815 -148808.6507 300.1144 -183173.2322 -148713.0196 300.2239 -76.9486 -45.5648 559489.3366 -5.6217 -5.5502 PRESSURE: 1409800 81.7835 -119.777 67.4802 -119.778 125.577 -30.1018 67.4793 -30.1005 -149.967 GPRESSURE: 1409800 63.0233 -99.0933 140.738 -29.7815 115.016 -66.7102 121.949 -48.0913 -28.2762 PRESSAVG: 1409800 -20.9346 19.8152 35.5385 19.8152 20.8729 23.866 35.5386 23.866 10.5114 GPRESSAVG: 1409800 -21.1065 22.9025 36.0054 19.1279 21.9796 22.9244 37.529 24.4864 9.73499 TIMING: 1409800 CPU: 4244.22, 0.00304074/step Wall: 4244.22, 0.00304074/step, 3.03246 hours remaining, 207.503906 MB of memory in use. ENERGY: 1409800 727.0421 2113.7301 1926.7877 106.9947 -205969.9176 17910.7472 0.0000 0.0000 34408.2253 -148776.3905 300.4956 -183184.6158 -148679.9521 299.8937 19.1310 49.9210 560493.3805 3.4832 3.5360 PRESSURE: 1410000 42.7147 97.8051 177.664 97.805 -30.3293 -125.769 177.663 -125.769 255.79 GPRESSURE: 1410000 109.181 124.146 104.664 14.4815 -13.8441 -132.162 162.328 -44.2987 276.072 PRESSAVG: 1410000 -59.576 64.3724 41.1789 64.3724 33.5252 32.8066 41.179 32.8064 10.7866 GPRESSAVG: 1410000 -59.1305 63.6863 40.9479 64.5695 33.2429 32.7822 39.9716 32.6765 11.0508 TIMING: 1410000 CPU: 4244.83, 0.00304291/step Wall: 4244.83, 0.00304291/step, 3.03446 hours remaining, 207.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1410000 727.7092 2167.6972 1931.1158 126.3098 -206269.3484 18007.6841 0.0000 0.0000 34591.6110 -148717.2213 302.0971 -183308.8323 -148619.9133 301.1704 89.3918 123.8030 558754.7053 -5.0881 -4.9456 PRESSURE: 1410200 -65.339 -15.109 -57.913 -15.1091 -339.489 13.8694 -57.9137 13.8669 -51.6444 GPRESSURE: 1410200 -21.0859 -104.147 -125.777 53.0016 -321.318 11.5853 -25.7778 49.5537 -27.8968 PRESSAVG: 1410200 -14.24 -40.5959 -28.4728 -40.596 -14.6183 -1.01872 -28.4727 -1.01876 68.2816 GPRESSAVG: 1410200 -13.7526 -41.7155 -29.549 -41.9835 -14.9091 -2.17921 -27.8036 0.394278 68.3793 TIMING: 1410200 CPU: 4245.44, 0.0030447/step Wall: 4245.44, 0.0030447/step, 3.03608 hours remaining, 207.503906 MB of memory in use. ENERGY: 1410200 769.8197 2107.1433 1930.7014 114.1601 -205597.8587 17508.1921 0.0000 0.0000 34472.7094 -148695.1329 301.0587 -183167.8422 -148593.9663 300.4629 -152.1573 -123.4336 559254.5958 13.1411 13.2392 PRESSURE: 1410400 -388.711 -49.0441 -55.7924 -49.0436 -209.477 -84.0926 -55.7917 -84.0912 -244.331 GPRESSURE: 1410400 -339.55 -100.19 25.0093 -27.7955 -191.726 -105.777 -100.455 -90.3671 -223.025 PRESSAVG: 1410400 -31.9015 46.6655 -47.2305 46.6656 66.1578 -22.0816 -47.2306 -22.0817 -50.9737 GPRESSAVG: 1410400 -32.7282 47.5336 -45.0102 48.5812 67.8365 -20.9341 -50.402 -23.8039 -51.6358 TIMING: 1410400 CPU: 4246.05, 0.00304743/step Wall: 4246.05, 0.00304743/step, 3.03863 hours remaining, 207.503906 MB of memory in use. ENERGY: 1410400 787.9221 2060.7350 1931.4062 111.2632 -205537.4464 17359.3228 0.0000 0.0000 34604.6443 -148682.1527 302.2110 -183286.7970 -148579.4891 300.3245 -280.8396 -251.4337 559274.7232 -5.5724 -5.5092 PRESSURE: 1410600 -79.4103 -40.9059 -80.4341 -40.9052 -17.092 -110.576 -80.4344 -110.576 -18.3654 GPRESSURE: 1410600 -30.1961 -88.3567 -165.813 -55.1655 8.08046 -86.7595 -23.1383 -76.9944 18.9407 PRESSAVG: 1410600 13.9168 5.05632 -29.1546 5.05635 -2.87247 -0.171377 -29.1546 -0.171444 -45.8777 GPRESSAVG: 1410600 14.6522 4.48301 -31.4258 3.89597 -6.15276 1.48616 -27.1586 -0.412898 -44.0097 TIMING: 1410600 CPU: 4246.65, 0.00300955/step Wall: 4246.65, 0.00300955/step, 3.00069 hours remaining, 207.503906 MB of memory in use. ENERGY: 1410600 766.3139 2176.3789 1972.2915 108.9732 -205872.3708 17747.3984 0.0000 0.0000 34377.1040 -148723.9110 300.2238 -183101.0150 -148629.7767 300.1948 -38.2892 -1.0583 560109.9341 -11.6111 -11.8368 PRESSURE: 1410800 -161.037 194.136 90.6274 194.136 -273.072 184.837 90.6282 184.84 16.3722 GPRESSURE: 1410800 -76.2572 252.371 134.076 66.3075 -244.453 205.411 121.286 186.414 -12.8595 PRESSAVG: 1410800 -15.6774 -49.3164 -4.31282 -49.3165 10.4675 -11.2646 -4.31285 -11.2646 14.7413 GPRESSAVG: 1410800 -14.1822 -48.4659 -3.66967 -50.7324 11.479 -11.9198 -5.13029 -10.4582 12.2081 TIMING: 1410800 CPU: 4247.25, 0.0030077/step Wall: 4247.25, 0.0030077/step, 2.99868 hours remaining, 207.503906 MB of memory in use. ENERGY: 1410800 781.1674 2109.8217 1940.1219 123.5837 -205906.4522 17614.9354 0.0000 0.0000 34452.9611 -148883.8611 300.8863 -183336.8222 -148788.5225 300.5732 -139.2457 -111.1898 558124.2802 3.1771 3.1683 PRESSURE: 1411000 -180.866 -66.6657 -249.396 -66.6666 -37.0885 53.0973 -249.395 53.0982 101.33 GPRESSURE: 1411000 -157.389 -11.5789 -233.746 29.9626 -9.33233 67.816 -259.07 43.0485 149.057 PRESSAVG: 1411000 -11.2107 33.0435 -10.9849 33.0435 -55.4517 -82.0517 -10.9849 -82.0516 54.7168 GPRESSAVG: 1411000 -15.0826 32.1208 -13.1072 34.3617 -53.6504 -82.394 -8.46197 -83.5612 56.2275 TIMING: 1411000 CPU: 4247.85, 0.00300495/step Wall: 4247.85, 0.00300495/step, 2.99577 hours remaining, 207.503906 MB of memory in use. ENERGY: 1411000 770.7396 2048.9897 1946.3407 116.5494 -206080.8627 17784.8789 0.0000 0.0000 34406.3636 -149007.0009 300.4793 -183413.3645 -148913.4345 300.6897 -38.8750 -5.8882 557101.4845 -3.9819 -4.1685 PRESSURE: 1411200 -168.215 147.529 27.7238 147.528 -82.8819 -122.92 27.7234 -122.92 -88.4422 GPRESSURE: 1411200 -141.46 92.7451 -37.4797 153.015 -33.8761 -152.601 71.0722 -114.993 -58.9188 PRESSAVG: 1411200 -53.7868 -5.13727 -56.5288 -5.13734 7.7733 48.5089 -56.5288 48.5088 18.493 GPRESSAVG: 1411200 -51.9226 -4.14546 -55.1969 -4.3634 6.51704 49.6902 -57.7739 49.3419 18.0345 TIMING: 1411200 CPU: 4248.45, 0.00299325/step Wall: 4248.45, 0.00299325/step, 2.98394 hours remaining, 207.503906 MB of memory in use. ENERGY: 1411200 753.7639 2098.6420 1936.2087 112.3979 -205583.4305 17405.3582 0.0000 0.0000 34329.4318 -148947.6280 299.8075 -183277.0598 -148849.5350 300.2072 -113.1796 -78.0849 557900.0890 -9.1735 -9.1237 PRESSURE: 1411400 -303.661 14.9238 31.283 14.9247 -17.397 23.3164 31.2829 23.3173 -277.462 GPRESSURE: 1411400 -263.992 -50.6402 -19.373 8.0094 4.91298 35.7818 -18.6701 -21.7028 -249.799 PRESSAVG: 1411400 -25.6931 25.2279 -26.0475 25.228 90.0984 14.3414 -26.0474 14.3414 -21.3914 GPRESSAVG: 1411400 -25.8902 24.5407 -25.5494 22.6282 90.0547 12.8169 -26.9636 13.2175 -20.7918 TIMING: 1411400 CPU: 4249.05, 0.00300689/step Wall: 4249.05, 0.00300689/step, 2.99737 hours remaining, 207.503906 MB of memory in use. ENERGY: 1411400 773.8272 2097.0225 1958.0771 110.7599 -205580.1770 17497.4369 0.0000 0.0000 34318.8458 -148824.2077 299.7150 -183143.0535 -148730.3463 299.7112 -199.5068 -169.6260 557793.6917 14.3380 14.4576 PRESSURE: 1411600 -19.9335 -119.228 15.3343 -119.23 -77.614 90.6248 15.3331 90.6252 -50.5373 GPRESSURE: 1411600 50.1822 -97.3187 9.48177 -129.204 -100.763 128.255 28.721 129.583 -14.4123 PRESSAVG: 1411600 2.11828 -24.4896 -7.30644 -24.4896 14.0384 -5.91184 -7.30643 -5.91188 -1.03994 GPRESSAVG: 1411600 1.43312 -24.2823 -7.91772 -21.9136 14.9042 -5.10844 -7.90358 -4.44902 -0.97423 TIMING: 1411600 CPU: 4249.66, 0.00303268/step Wall: 4249.66, 0.00303268/step, 3.0229 hours remaining, 207.503906 MB of memory in use. ENERGY: 1411600 724.2877 2074.2472 1945.9996 111.3158 -205271.2206 17382.0087 0.0000 0.0000 34218.2206 -148815.1409 298.8362 -183033.3615 -148726.5312 299.9225 -49.3616 -21.6645 557713.5988 5.0389 5.1210 PRESSURE: 1411800 -207.445 -67.5794 -33.4327 -67.5793 -69.0901 -53.6336 -33.4335 -53.6334 -151.685 GPRESSURE: 1411800 -184.837 -129.356 -14.8566 -41.7319 -4.62418 -158.537 -31.3514 -47.9961 -152.988 PRESSAVG: 1411800 -68.4074 -19.759 -1.72431 -19.759 23.9468 42.7331 -1.72436 42.733 44.9984 GPRESSAVG: 1411800 -68.2929 -20.1124 -1.83878 -20.8332 23.8662 42.8139 1.05058 43.8822 44.6356 TIMING: 1411800 CPU: 4250.27, 0.00304486/step Wall: 4250.27, 0.00304486/step, 3.03488 hours remaining, 207.503906 MB of memory in use. ENERGY: 1411800 724.1224 2079.5620 1940.9369 121.6003 -205634.4223 17544.8708 0.0000 0.0000 34397.3612 -148825.9687 300.4007 -183223.3300 -148722.7587 300.1989 -142.7399 -114.1496 559234.7249 0.1793 0.0696 PRESSURE: 1412000 -362.804 18.7651 -67.8398 18.7647 -189.401 45.9457 -67.8387 45.9455 -141.106 GPRESSURE: 1412000 -319.669 64.203 -23.3257 28.6986 -177.036 83.7639 -171.969 44.5194 -102.604 PRESSAVG: 1412000 -45.7655 25.6502 -61.8871 25.6503 -15.6142 -22.9672 -61.8871 -22.9671 39.4391 GPRESSAVG: 1412000 -45.6879 24.7457 -61.1178 24.1131 -16.0891 -21.9735 -62.8431 -24.9381 39.7069 TIMING: 1412000 CPU: 4250.87, 0.00302468/step Wall: 4250.87, 0.00302468/step, 3.0146 hours remaining, 207.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1412000 792.3316 2019.6872 1959.1627 115.6172 -205354.6697 17303.5349 0.0000 0.0000 34424.4307 -148739.9053 300.6371 -183164.3361 -148645.1592 300.6993 -231.1034 -199.7696 559620.2154 -7.3135 -7.3567 PRESSURE: 1412200 38.8946 -46.0646 -75.6247 -46.0654 98.9962 10.0176 -75.6233 10.0175 9.24219 GPRESSURE: 1412200 89.1222 -86.619 -37.7161 -74.0881 82.1836 -2.44463 -52.3887 76.9453 68.3256 PRESSAVG: 1412200 -81.5654 21.6773 23.7262 21.6773 25.6411 1.64955 23.7262 1.64958 29.819 GPRESSAVG: 1412200 -80.7251 21.3126 23.9394 22.0388 26.1308 2.03482 25.8941 2.24843 28.6165 TIMING: 1412200 CPU: 4251.48, 0.00304878/step Wall: 4251.48, 0.00304878/step, 3.03845 hours remaining, 207.503906 MB of memory in use. ENERGY: 1412200 745.6414 2039.6118 1945.6401 103.2032 -206247.5587 17886.6042 0.0000 0.0000 34657.0033 -148869.8547 302.6682 -183526.8580 -148770.4009 300.6137 49.0443 79.8771 558710.4644 -8.7018 -8.6593 LDB: ============= START OF LOAD BALANCING ============== 4255 LDB: ============== END OF LOAD BALANCING =============== 4255 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4255 LDB: ============= START OF LOAD BALANCING ============== 4255.31 LDB: Largest compute 4800 load 0.031613 is 26.8% of average load 0.117875 LDB: Average compute 0.001734 is 1.5% of average load 0.117875 LDB: TIME 4255.31 LOAD: AVG 0.117875 MAX 0.218708 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.684 MB LDB: TIME 4255.31 LOAD: AVG 0.117875 MAX 0.218708 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.887 MB LDB: TIME 4255.31 LOAD: AVG 0.117875 MAX 0.218708 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.887 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4255.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4255.32 PRESSURE: 1412400 141.261 -160.655 27.3864 -160.655 114.477 -40.552 27.3856 -40.5519 81.5634 GPRESSURE: 1412400 170.094 -183.088 94.7025 -107.35 159.642 -91.8879 116.4 -41.7807 115.921 PRESSAVG: 1412400 -11.2619 24.1211 50.8448 24.1212 -0.512877 26.8831 50.8447 26.8831 16.28 GPRESSAVG: 1412400 -12.7018 23.6256 52.9751 24.021 -0.314351 26.9307 47.6865 25.2006 17.9573 TIMING: 1412400 CPU: 4252.1, 0.00309467/step Wall: 4252.1, 0.00309467/step, 3.08401 hours remaining, 206.664062 MB of memory in use. ENERGY: 1412400 733.9212 2060.2533 1942.4274 105.3661 -206391.5303 18099.2185 0.0000 0.0000 34489.1302 -148961.2136 301.2022 -183450.3438 -148873.4504 300.9410 112.4339 148.5522 558782.5065 1.5017 1.6470 PRESSURE: 1412600 285.1 0.392095 102.823 0.392381 -360.808 -66.6846 102.822 -66.6855 187.963 GPRESSURE: 1412600 301.638 -64.425 112.707 2.09967 -287.279 -30.3202 155.61 -3.65077 199.511 PRESSAVG: 1412600 -47.0667 -38.9911 -1.7986 -38.991 33.0273 -10.1764 -1.79857 -10.1764 36.4624 GPRESSAVG: 1412600 -47.0683 -38.21 -4.91703 -38.6552 33.3904 -10.3313 -0.491296 -8.85689 36.1009 TIMING: 1412600 CPU: 4252.7, 0.00301644/step Wall: 4252.7, 0.00301644/step, 3.00588 hours remaining, 206.664062 MB of memory in use. ENERGY: 1412600 776.1114 2093.6360 1913.7246 98.9901 -206234.4626 18018.5588 0.0000 0.0000 34446.5053 -148886.9366 300.8299 -183333.4418 -148791.6283 299.6962 37.4184 71.2897 559330.2837 7.4743 7.4744 PRESSURE: 1412800 55.2264 -156.319 -82.4171 -156.318 -393.084 -137.289 -82.4174 -137.287 -398.757 GPRESSURE: 1412800 53.5983 -185.575 -45.2235 -193.073 -361.385 -142.859 -14.0724 -165.018 -327.506 PRESSAVG: 1412800 13.4945 -3.23076 -0.270983 -3.23081 -36.7602 16.0994 -0.271038 16.0994 25.9424 GPRESSAVG: 1412800 13.3759 -3.25703 0.974504 -3.41114 -36.4188 15.3523 -0.403534 16.4908 25.6783 TIMING: 1412800 CPU: 4253.31, 0.0030085/step Wall: 4253.31, 0.0030085/step, 2.9978 hours remaining, 206.664062 MB of memory in use. ENERGY: 1412800 764.9025 2071.5843 1912.0839 108.0382 -205728.2881 17499.3988 0.0000 0.0000 34710.0527 -148662.2277 303.1315 -183372.2804 -148558.9406 300.3442 -245.5384 -211.7640 559887.1562 0.8922 0.8785 PRESSURE: 1413000 32.8211 153.876 -71.6402 153.876 8.47266 167.41 -71.64 167.412 183.932 GPRESSURE: 1413000 74.906 221.322 -92.8422 135.05 38.4787 147.564 -98.3716 168.376 199.967 PRESSAVG: 1413000 7.37385 -30.8904 -1.13027 -30.8904 -13.4721 -17.6471 -1.1303 -17.6472 -22.0063 GPRESSAVG: 1413000 6.8368 -29.9759 -3.58198 -30.9427 -13.9324 -18.8975 -1.20996 -17.5892 -21.3637 TIMING: 1413000 CPU: 4253.92, 0.00305283/step Wall: 4253.92, 0.00305283/step, 3.04181 hours remaining, 206.664062 MB of memory in use. ENERGY: 1413000 711.4098 2100.9385 1949.6011 98.5521 -205712.3908 17822.6123 0.0000 0.0000 34390.5845 -148638.6926 300.3415 -183029.2771 -148540.6124 300.2755 75.0754 104.4506 559918.3213 -9.3682 -9.4864 PRESSURE: 1413200 197.6 -57.0212 -85.8132 -57.0212 87.4218 -4.4981 -85.8136 -4.49697 62.8825 GPRESSURE: 1413200 254.835 -176.013 -176.283 -97.0272 156.112 -7.42628 -59.3808 -0.236827 26.0568 PRESSAVG: 1413200 -14.8346 35.4259 -12.56 35.4258 2.59998 29.2638 -12.56 29.2638 55.2612 GPRESSAVG: 1413200 -13.9351 35.6659 -10.9477 34.9346 2.13337 31.7605 -13.7729 30.3464 54.6158 TIMING: 1413200 CPU: 4254.53, 0.00305457/step Wall: 4254.53, 0.00305457/step, 3.04337 hours remaining, 206.664062 MB of memory in use. ENERGY: 1413200 710.6569 2062.3250 1957.9946 106.2926 -205995.7651 17973.8648 0.0000 0.0000 34516.2443 -148668.3869 301.4389 -183184.6312 -148577.1582 300.7505 115.9680 145.6681 559566.8415 14.3422 14.2714 PRESSURE: 1413400 -95.3745 7.3939 -0.56787 7.39446 -265.216 22.5411 -0.568959 22.5418 179.619 GPRESSURE: 1413400 -13.5433 6.41196 -14.8256 -23.5765 -235.285 -22.2749 -15.56 -45.8322 165.051 PRESSAVG: 1413400 -29.4561 15.936 -20.0454 15.936 -5.39133 5.91593 -20.0453 5.91595 15.6061 GPRESSAVG: 1413400 -29.6322 13.8873 -19.7145 17.0214 -4.87783 3.30995 -19.1741 5.84528 15.092 TIMING: 1413400 CPU: 4255.14, 0.00305527/step Wall: 4255.14, 0.00305527/step, 3.04389 hours remaining, 206.664062 MB of memory in use. ENERGY: 1413400 764.1007 2141.8376 1951.8243 110.4066 -205767.6409 17711.6293 0.0000 0.0000 34407.6664 -148680.1760 300.4907 -183087.8425 -148587.3152 300.5613 -60.3236 -27.9257 558371.5481 -6.4138 -6.4727 PRESSURE: 1413600 75.0832 46.2102 32.2477 46.2099 269.942 134.302 32.2472 134.303 67.5603 GPRESSURE: 1413600 113.498 -52.0592 -17.0376 28.9682 268.025 127.033 -1.3428 140.276 117.748 PRESSAVG: 1413600 -11.9451 7.93446 -5.93887 7.93439 -43.4471 -47.5133 -5.93883 -47.5132 51.4943 GPRESSAVG: 1413600 -11.6257 7.88257 -5.58588 6.83837 -43.618 -45.9578 -4.96432 -48.5813 51.5354 TIMING: 1413600 CPU: 4255.74, 0.00302298/step Wall: 4255.74, 0.00302299/step, 3.01156 hours remaining, 206.664062 MB of memory in use. ENERGY: 1413600 756.4216 2070.7290 1946.9996 108.6855 -206130.7978 18039.7644 0.0000 0.0000 34439.2161 -148768.9815 300.7662 -183208.1976 -148681.9433 300.8522 137.5285 166.4240 557318.1913 -1.2993 -1.2361 PRESSURE: 1413800 184.985 23.4775 173.451 23.4765 -77.9278 -101.108 173.451 -101.11 129.098 GPRESSURE: 1413800 250.487 -28.6261 186.46 49.018 -32.8639 -103.478 125.187 -187.323 118.449 PRESSAVG: 1413800 61.2005 -2.51828 -12.4907 -2.51832 11.319 4.97376 -12.4908 4.97387 -73.1252 GPRESSAVG: 1413800 60.6599 -0.936855 -13.9007 -4.26452 10.7886 3.85238 -15.0806 7.00234 -72.5228 TIMING: 1413800 CPU: 4256.36, 0.00307008/step Wall: 4256.36, 0.00307008/step, 3.05831 hours remaining, 206.664062 MB of memory in use. ENERGY: 1413800 732.8357 2065.7274 1954.2047 105.2065 -205722.3774 17836.1903 0.0000 0.0000 34211.0898 -148817.1229 298.7740 -183028.2127 -148720.2942 300.6817 78.7186 112.0239 557932.1559 -0.2019 -0.3581 PRESSURE: 1414000 188.635 -41.1064 257.652 -41.1052 -137.132 -39.2039 257.653 -39.203 -59.167 GPRESSURE: 1414000 200.495 -7.41216 358.531 19.6325 -151.417 -88.6772 119.705 -65.7898 46.9308 PRESSAVG: 1414000 20.6305 0.257962 56.8861 0.257944 17.661 16.8467 56.8861 16.8467 -85.8472 GPRESSAVG: 1414000 20.9843 0.827007 57.0853 2.82725 17.2088 18.6405 58.6665 14.2768 -85.7092 TIMING: 1414000 CPU: 4256.97, 0.00305799/step Wall: 4256.97, 0.00305799/step, 3.0461 hours remaining, 206.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1414000 737.0614 2094.8398 1927.0800 121.3764 -205506.0816 17620.6824 0.0000 0.0000 34219.7064 -148785.3352 298.8492 -183005.0416 -148686.4542 300.4353 -2.5545 32.0030 558456.7339 -15.8519 -15.8387 PRESSURE: 1414200 54.9005 -84.0584 -16.1121 -84.0583 -1.15649 3.71017 -16.1135 3.7095 -82.8641 GPRESSURE: 1414200 99.9412 -63.0765 -175.499 -82.1188 -16.3801 -12.6085 75.9288 -90.698 -15.0373 PRESSAVG: 1414200 -32.1243 -71.1483 19.3299 -71.1483 -3.34207 -62.9754 19.3299 -62.9756 21.2948 GPRESSAVG: 1414200 -32.9463 -70.4224 19.4501 -71.9031 -3.37755 -63.3532 19.2872 -62.8944 22.2014 TIMING: 1414200 CPU: 4257.58, 0.00306208/step Wall: 4257.58, 0.00306208/step, 3.05001 hours remaining, 206.664062 MB of memory in use. ENERGY: 1414200 767.0358 2101.5820 1932.2598 130.1467 -206247.0976 17865.8390 0.0000 0.0000 34493.2611 -148956.9731 301.2382 -183450.2342 -148862.8213 300.5994 -9.7067 22.8413 556839.5153 -4.7239 -4.7075 PRESSURE: 1414400 -318.194 161.324 -9.16462 161.324 -188.568 -101.676 -9.16473 -101.676 -322.719 GPRESSURE: 1414400 -261.566 181.183 -57.8227 126.346 -185.57 -60.209 -8.3243 -132.873 -289.852 PRESSAVG: 1414400 -18.0234 47.9661 21.049 47.966 -17.7168 4.1537 21.0489 4.15365 51.3055 GPRESSAVG: 1414400 -16.8619 45.3153 20.6249 48.1397 -18.0047 5.36318 20.8124 4.73567 50.3143 TIMING: 1414400 CPU: 4258.19, 0.0030365/step Wall: 4258.19, 0.0030365/step, 3.02436 hours remaining, 206.664062 MB of memory in use. ENERGY: 1414400 749.8535 2143.4989 1924.4245 102.0556 -205669.5647 17446.3015 0.0000 0.0000 34232.1200 -149071.3107 298.9576 -183303.4307 -148975.8856 300.7918 -276.4936 -245.6628 558067.4285 5.1884 5.1493 PRESSURE: 1414600 -90.9632 144.959 112.375 144.957 -386.538 -46.3704 112.375 -46.3696 194.958 GPRESSURE: 1414600 -77.134 201.968 12.0704 85.8996 -301.993 31.1516 54.7327 -30.6579 195.945 PRESSAVG: 1414600 18.9027 48.6945 14.6161 48.6946 -82.1256 2.51608 14.6162 2.51604 53.7041 GPRESSAVG: 1414600 17.7469 49.0101 14.5701 48.3703 -80.4978 -2.08162 12.8085 5.01535 53.4618 TIMING: 1414600 CPU: 4258.79, 0.00302092/step Wall: 4258.79, 0.00302092/step, 3.00867 hours remaining, 206.664062 MB of memory in use. ENERGY: 1414600 772.3886 2068.5051 1972.7204 116.6082 -206042.0709 17470.9707 0.0000 0.0000 34412.1585 -149228.7195 300.5299 -183640.8780 -149128.0368 299.8268 -94.1811 -61.0606 556062.6467 -3.1730 -3.0964 PRESSURE: 1414800 -78.5463 13.7422 135.816 13.7418 239.6 -47.1303 135.816 -47.1288 -82.2831 GPRESSURE: 1414800 -34.8169 35.2387 107.726 -12.0526 167.386 -34.7858 123.991 -72.5587 50.5493 PRESSAVG: 1414800 -62.9867 6.42885 5.77785 6.42894 -12.2351 -12.0313 5.77784 -12.0311 77.6002 GPRESSAVG: 1414800 -62.3172 8.47021 5.23433 5.35288 -12.6386 -9.45969 8.55389 -15.3955 77.4993 TIMING: 1414800 CPU: 4259.39, 0.00299254/step Wall: 4259.39, 0.00299253/step, 2.98023 hours remaining, 206.664062 MB of memory in use. ENERGY: 1414800 792.7106 2061.5395 1930.5069 109.9578 -206270.7815 17710.8546 0.0000 0.0000 34213.8001 -149451.4120 298.7976 -183665.2121 -149352.0004 299.1737 26.2568 61.0393 556193.6957 0.7928 0.8479 PRESSURE: 1415000 33.3045 164.984 -108.123 164.984 -119.006 151.447 -108.124 151.446 19.3492 GPRESSURE: 1415000 98.045 233.496 -80.8422 96.7069 -43.2214 146.069 -34.4209 55.8766 -26.4828 PRESSAVG: 1415000 -15.5266 -12.9824 -32.4432 -12.9824 -22.5649 -59.3701 -32.4433 -59.3701 -9.47909 GPRESSAVG: 1415000 -15.1322 -13.4349 -31.1211 -12.5379 -22.5391 -59.8421 -32.4195 -57.8076 -9.5578 TIMING: 1415000 CPU: 4259.99, 0.00300016/step Wall: 4259.99, 0.00300016/step, 2.98766 hours remaining, 206.664062 MB of memory in use. ENERGY: 1415000 728.5661 2102.1112 1915.7550 103.9805 -206185.2558 17832.3019 0.0000 0.0000 34082.5537 -149419.9873 297.6514 -183502.5410 -149322.4632 298.5060 -22.1173 9.4469 557761.6567 -15.8569 -15.7430 PRESSURE: 1415200 -47.0529 25.929 -23.2581 25.9285 -103.915 37.7223 -23.257 37.7223 -78.0053 GPRESSURE: 1415200 -50.0664 -7.0879 95.4788 28.6674 -40.469 45.0562 -42.5392 73.7509 -42.7522 PRESSAVG: 1415200 11.0599 10.9247 8.86894 10.9247 30.1247 16.544 8.8689 16.544 -7.57614 GPRESSAVG: 1415200 10.9874 8.85827 10.1518 12.2676 30.5719 16.9943 8.74128 15.6219 -8.27075 TIMING: 1415200 CPU: 4260.6, 0.00302807/step Wall: 4260.6, 0.00302807/step, 3.01528 hours remaining, 206.664062 MB of memory in use. ENERGY: 1415200 716.3946 2072.8869 1953.9340 119.8990 -206103.4252 17626.8518 0.0000 0.0000 34210.0245 -149403.4345 298.7647 -183613.4590 -149302.5413 298.6498 -76.3245 -44.4292 556897.4660 11.2028 11.0962 PRESSURE: 1415400 20.7478 56.3154 -140.836 56.3148 -94.7833 37.1841 -140.836 37.1826 -70.5783 GPRESSURE: 1415400 34.6023 60.5031 -206.47 51.8825 -120.783 -14.7902 -175.379 60.2301 48.9172 PRESSAVG: 1415400 35.1394 44.4251 27.3278 44.4251 -14.3295 14.5483 27.3278 14.5482 3.30639 GPRESSAVG: 1415400 35.4281 45.8669 26.3744 42.9606 -15.9343 13.9648 25.9087 16.1521 4.49823 TIMING: 1415400 CPU: 4261.21, 0.00304578/step Wall: 4261.21, 0.00304578/step, 3.03275 hours remaining, 206.664062 MB of memory in use. ENERGY: 1415400 713.7976 2054.5031 1955.1904 110.9539 -206145.0679 17767.1210 0.0000 0.0000 34199.8233 -149343.6787 298.6756 -183543.5020 -149254.9272 298.4476 -48.2046 -12.4213 558824.8013 8.0388 7.9973 PRESSURE: 1415600 -63.8712 -50.2249 6.55957 -50.226 -384.807 -69.5921 6.56038 -69.5906 -162.12 GPRESSURE: 1415600 -93.2473 -86.5216 -3.74147 -15.28 -303.24 -29.351 123.312 -157.91 -110.629 PRESSAVG: 1415600 24.3876 -8.45371 16.5608 -8.45377 -3.81363 -50.3439 16.5609 -50.3438 -22.318 GPRESSAVG: 1415600 23.7947 -8.2152 15.1669 -7.67265 -2.67275 -49.484 19.0799 -51.8955 -23.2161 TIMING: 1415600 CPU: 4261.82, 0.00304476/step Wall: 4261.82, 0.00304476/step, 3.03156 hours remaining, 206.664062 MB of memory in use. ENERGY: 1415600 753.7827 2079.7399 1962.7608 111.4426 -205447.6839 17330.8103 0.0000 0.0000 34096.9534 -149112.1942 297.7772 -183209.1477 -149014.6649 299.4831 -203.5995 -169.0388 558288.4998 -0.5814 -0.6980 PRESSURE: 1415800 -32.9991 66.9826 -8.84141 66.9844 194.591 70.4508 -8.84248 70.4504 -183.143 GPRESSURE: 1415800 40.4795 5.59942 48.9323 98.33 201.355 -6.87491 3.72944 85.5259 -172.277 PRESSAVG: 1415800 -7.44077 -2.2163 12.9488 -2.21635 51.3185 -21.658 12.9486 -21.658 -47.4028 GPRESSAVG: 1415800 -8.66772 -3.77598 14.7842 -1.24725 52.2379 -23.0153 11.3804 -20.2488 -47.2765 TIMING: 1415800 CPU: 4262.42, 0.00304489/step Wall: 4262.42, 0.00304489/step, 3.03152 hours remaining, 206.664062 MB of memory in use. ENERGY: 1415800 753.5086 2139.7137 1935.9765 110.5108 -206418.5317 18088.4206 0.0000 0.0000 34391.5269 -148998.8745 300.3498 -183390.4015 -148902.9387 300.0217 -7.1837 23.1860 558669.4003 -1.1750 -1.2354 PRESSURE: 1416000 -116.726 84.7269 120.372 84.7253 -294.19 106.925 120.373 106.925 -317.413 GPRESSURE: 1416000 -23.665 137.097 124.287 53.1696 -264.459 77.4132 166.442 103.109 -346.481 PRESSAVG: 1416000 0.120447 -14.1017 34.4154 -14.1018 19.1995 -16.023 34.4154 -16.023 14.9694 GPRESSAVG: 1416000 1.9311 -12.1703 33.1061 -15.1924 17.2427 -14.557 34.4976 -18.2276 15.031 TIMING: 1416000 CPU: 4263.03, 0.00302404/step Wall: 4263.03, 0.00302404/step, 3.0106 hours remaining, 206.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1416000 743.1060 2196.5485 1916.2327 112.8919 -206029.6908 17759.2423 0.0000 0.0000 34288.2889 -149013.3803 299.4482 -183301.6692 -148916.0696 300.3913 -242.7763 -211.5349 560103.1847 11.4298 11.4016 PRESSURE: 1416200 91.9327 -168.53 -35.2312 -168.529 178.666 -118.48 -35.2317 -118.479 16.1641 GPRESSURE: 1416200 101.437 -162.656 80.1062 -132.63 184.096 -116.099 -63.8568 -209.831 114.213 PRESSAVG: 1416200 -5.57665 -42.4744 -10.1259 -42.4745 -64.0016 8.993 -10.1259 8.99299 113.992 GPRESSAVG: 1416200 -5.31606 -42.1606 -10.0481 -43.1496 -63.9624 8.9168 -7.81946 10.014 113.995 TIMING: 1416200 CPU: 4263.63, 0.00301871/step Wall: 4263.63, 0.00301871/step, 3.00512 hours remaining, 206.664062 MB of memory in use. ENERGY: 1416200 729.2408 2144.0975 1928.7939 111.1433 -206526.6035 18136.5070 0.0000 0.0000 34391.6517 -149085.1693 300.3508 -183476.8210 -148992.2081 300.4109 95.5875 133.2487 559197.3310 14.8046 14.9056 LDB: ============= START OF LOAD BALANCING ============== 4267.15 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4267.15 LDB: =============== DONE WITH MIGRATION ================ 4267.15 LDB: ============= START OF LOAD BALANCING ============== 4267.45 LDB: Largest compute 4800 load 0.031700 is 26.9% of average load 0.117993 LDB: Average compute 0.001735 is 1.5% of average load 0.117993 LDB: TIME 4267.45 LOAD: AVG 0.117993 MAX 0.218492 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.207 MB LDB: TIME 4267.45 LOAD: AVG 0.117993 MAX 0.218492 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.277 MB LDB: TIME 4267.45 LOAD: AVG 0.117993 MAX 0.218492 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.277 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4267.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4267.46 PRESSURE: 1416400 -192.833 -110.296 0.187289 -110.296 -309.541 -76.2329 0.187132 -76.2332 -202.959 GPRESSURE: 1416400 -132.021 -82.1913 -49.5318 -150.101 -310.831 -113.122 -9.77182 -74.0839 -170.37 PRESSAVG: 1416400 -44.854 -1.29621 25.6552 -1.2962 13.2157 -22.8444 25.6552 -22.8443 23.5195 GPRESSAVG: 1416400 -45.276 -0.48589 26.5894 -0.565006 13.6778 -22.251 22.6978 -23.9393 22.835 TIMING: 1416400 CPU: 4264.24, 0.00304791/step Wall: 4264.24, 0.00304791/step, 3.03402 hours remaining, 208.722656 MB of memory in use. ENERGY: 1416400 733.7438 2077.2555 1924.6201 109.0691 -205971.5533 17555.8926 0.0000 0.0000 34391.5909 -149179.3814 300.3503 -183570.9723 -149083.9989 299.7718 -235.1107 -204.4073 559173.7005 -2.7063 -2.9211 PRESSURE: 1416600 -107.751 180.727 9.33022 180.729 44.1503 73.2392 9.33108 73.2397 -86.3263 GPRESSURE: 1416600 -80.4751 244.368 -5.59599 226.528 112.011 90.7046 0.160124 153.538 -81.951 PRESSAVG: 1416600 -51.9817 20.9154 17.5851 20.9153 40.3991 17.3998 17.585 17.3997 -48.6483 GPRESSAVG: 1416600 -52.3573 18.7287 17.1187 22.8753 38.706 16.7636 18.7862 18.8119 -47.0053 TIMING: 1416600 CPU: 4264.84, 0.00298038/step Wall: 4264.84, 0.00298038/step, 2.96663 hours remaining, 208.925781 MB of memory in use. ENERGY: 1416600 751.5075 2081.4635 1921.8547 112.8705 -205941.7561 17795.7717 0.0000 0.0000 34056.3905 -149221.8978 297.4229 -183278.2882 -149128.3375 299.3808 -49.9757 -16.8049 558634.9032 -20.0770 -20.2189 PRESSURE: 1416800 -28.6851 10.7453 28.4301 10.7448 -127.88 156.24 28.4309 156.241 107.746 GPRESSURE: 1416800 -26.2416 6.53398 28.3574 -33.7526 -63.7178 239.954 86.4912 71.0886 132.458 PRESSAVG: 1416800 -19.6011 16.8394 43.3854 16.8395 12.8079 30.8126 43.3855 30.8125 -24.3351 GPRESSAVG: 1416800 -19.415 16.751 45.0405 16.508 13.3376 31.7608 43.1961 29.9877 -25.1619 TIMING: 1416800 CPU: 4265.44, 0.00300113/step Wall: 4265.44, 0.00300113/step, 2.98712 hours remaining, 208.925781 MB of memory in use. ENERGY: 1416800 714.5756 2145.7493 1937.5838 116.4339 -205867.5864 17665.7156 0.0000 0.0000 33995.4731 -149292.0552 296.8909 -183287.5282 -149198.3521 299.4355 -16.2730 14.1662 557363.1594 -10.3761 -10.4131 PRESSURE: 1417000 -47.4406 137.155 16.9931 137.155 330.753 76.8223 16.9931 76.8218 57.3067 GPRESSURE: 1417000 -26.8377 30.5818 97.0266 109.025 300.744 29.576 -127.196 125.214 156.326 PRESSAVG: 1417000 -45.906 44.8704 65.5866 44.8703 27.4689 -23.3741 65.5866 -23.3741 40.3613 GPRESSAVG: 1417000 -46.1831 46.5054 62.2591 44.0498 27.1705 -23.8327 65.5334 -21.2316 40.8778 TIMING: 1417000 CPU: 4266.04, 0.00301171/step Wall: 4266.04, 0.00301171/step, 2.99749 hours remaining, 208.925781 MB of memory in use. ENERGY: 1417000 730.1220 2133.7462 1945.6501 114.0716 -206403.5700 18006.5854 0.0000 0.0000 34306.5954 -149166.7993 299.6080 -183473.3947 -149071.3941 299.7140 113.5398 143.4110 556650.2994 7.3081 7.2884 PRESSURE: 1417200 302.871 131.916 -144.437 131.916 -23.7165 -38.0008 -144.437 -38.0015 56.5212 GPRESSURE: 1417200 378.906 127.481 -19.9488 100.357 18.001 -121.637 -180.259 -28.5319 44.2161 PRESSAVG: 1417200 32.3356 57.8471 -41.0679 57.8472 44.3932 -32.9108 -41.0679 -32.911 -18.732 GPRESSAVG: 1417200 32.4806 56.9373 -40.9704 57.5842 45.329 -33.3368 -41.1849 -34.699 -19.7291 TIMING: 1417200 CPU: 4266.64, 0.00300858/step Wall: 4266.64, 0.00300858/step, 2.9942 hours remaining, 208.925781 MB of memory in use. ENERGY: 1417200 732.0220 2099.0923 1934.3140 105.9241 -206376.0658 18037.3838 0.0000 0.0000 34061.2107 -149406.1190 297.4650 -183467.3297 -149307.2733 299.1831 111.8917 147.0409 556954.6494 19.3323 19.3601 PRESSURE: 1417400 -22.5284 65.7014 -102.197 65.6997 8.25831 98.8425 -102.196 98.8413 175.253 GPRESSURE: 1417400 -26.7638 95.0667 -55.626 11.2817 37.0896 93.6564 -130.221 90.1861 245.782 PRESSAVG: 1417400 8.59986 1.79003 6.88317 1.79001 -4.63188 -60.9282 6.88316 -60.9282 16.2152 GPRESSAVG: 1417400 8.33002 1.75979 10.483 2.19624 -3.82211 -61.9526 5.04624 -61.5125 15.6857 TIMING: 1417400 CPU: 4267.24, 0.00299058/step Wall: 4267.24, 0.00299058/step, 2.97613 hours remaining, 208.925781 MB of memory in use. ENERGY: 1417400 733.1069 2104.2553 1940.8753 100.4440 -206228.5674 17942.4579 0.0000 0.0000 34030.7416 -149376.6864 297.1989 -183407.4280 -149281.8266 299.4277 53.6609 85.3692 558343.0413 6.7277 6.7312 PRESSURE: 1417600 8.68992 -29.6633 114.942 -29.6644 29.6059 104.154 114.943 104.154 258.954 GPRESSURE: 1417600 33.5608 -118.237 100.296 -0.967924 86.0497 101.801 152.256 79.1589 265.651 PRESSAVG: 1417600 -22.8209 13.3455 90.3826 13.3454 -17.7529 -35.9386 90.3826 -35.9386 41.4461 GPRESSAVG: 1417600 -23.259 11.9429 87.5424 14.3542 -16.9092 -35.1601 92.3662 -34.8287 41.2769 TIMING: 1417600 CPU: 4267.85, 0.00302169/step Wall: 4267.85, 0.00302169/step, 3.00692 hours remaining, 208.925781 MB of memory in use. ENERGY: 1417600 744.4234 2127.1352 1908.9171 103.0798 -206615.3463 18096.2780 0.0000 0.0000 34167.1517 -149468.3610 298.3902 -183635.5127 -149371.4968 299.1128 99.0833 128.4204 559152.8268 0.2908 0.3696 PRESSURE: 1417800 -3.87964 32.7082 -100.831 32.7061 -148.585 88.5415 -100.831 88.5428 25.6948 GPRESSURE: 1417800 21.1019 69.2776 -127.259 0.347764 -72.1029 88.9268 -82.1341 145.95 25.6094 PRESSAVG: 1417800 21.5537 6.17332 14.19 6.17335 20.6407 -56.409 14.19 -56.4089 -44.1617 GPRESSAVG: 1417800 22.8508 7.81442 14.9004 4.17935 19.6942 -55.6458 13.5162 -57.8545 -44.1167 TIMING: 1417800 CPU: 4268.46, 0.00304792/step Wall: 4268.46, 0.00304792/step, 3.03285 hours remaining, 208.925781 MB of memory in use. ENERGY: 1417800 765.3875 2051.2834 1929.2308 110.2259 -206304.5035 17793.6563 0.0000 0.0000 34291.6114 -149363.1084 299.4772 -183654.7198 -149265.4699 298.4684 -42.2565 -8.4639 558346.1467 -0.6558 -0.5239 PRESSURE: 1418000 -370.957 58.0967 -160.484 58.0966 -156.266 -105.039 -160.483 -105.041 -236.579 GPRESSURE: 1418000 -322.776 106.666 -114.094 17.9901 -160.186 -107.159 -129.953 -146.029 -191.011 PRESSAVG: 1418000 15.7501 24.1752 3.02524 24.1752 31.3793 4.39247 3.02532 4.3925 -75.7649 GPRESSAVG: 1418000 15.2074 22.4852 2.16187 25.8404 30.1443 3.17677 3.57613 4.85229 -74.1789 TIMING: 1418000 CPU: 4269.07, 0.00307442/step Wall: 4269.07, 0.00307442/step, 3.05905 hours remaining, 208.925781 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: 1418000 784.9424 2130.0492 1955.8355 111.0170 -206300.1946 17638.0938 0.0000 0.0000 34203.2752 -149476.9814 298.7057 -183680.2566 -149385.6188 299.0303 -254.6006 -224.6576 558055.4245 -9.5452 -9.6091 PRESSURE: 1418200 103.108 5.93734 127.835 5.93718 413.922 12.1381 127.836 12.1385 12.7473 GPRESSURE: 1418200 119.527 61.7821 85.0414 -30.4629 418.185 106.347 106.141 66.8083 75.964 PRESSAVG: 1418200 -57.7991 10.4175 -49.5121 10.4174 -6.02621 -59.2146 -49.5121 -59.2147 47.7 GPRESSAVG: 1418200 -56.9822 12.853 -49.0094 8.00397 -5.04816 -58.9371 -50.5892 -58.4675 46.1162 TIMING: 1418200 CPU: 4269.68, 0.0030631/step Wall: 4269.68, 0.0030631/step, 3.04761 hours remaining, 208.925781 MB of memory in use. ENERGY: 1418200 724.6428 2059.3729 1916.6195 117.2085 -206547.2283 18001.7993 0.0000 0.0000 34400.5671 -149327.0182 300.4287 -183727.5853 -149227.9440 298.8273 176.5924 204.5585 557159.3054 -5.3751 -5.3047 PRESSURE: 1418400 261.125 -7.00437 -2.88486 -7.0035 8.5454 -98.472 -2.88325 -98.472 -17.9516 GPRESSURE: 1418400 298.401 -47.0813 25.4358 42.1253 -6.43921 -116.73 -10.5836 -48.6293 51.7521 PRESSAVG: 1418400 -47.0291 -6.61019 -26.1345 -6.61017 72.7929 -1.90102 -26.1346 -1.90099 9.4544 GPRESSAVG: 1418400 -46.8267 -5.9367 -25.5898 -4.20265 72.6926 -0.0345051 -24.6067 -2.40365 9.42748 TIMING: 1418400 CPU: 4270.29, 0.00305181/step Wall: 4270.29, 0.00305181/step, 3.03621 hours remaining, 208.925781 MB of memory in use. ENERGY: 1418400 727.5655 2027.8433 1920.0911 117.2633 -206327.0142 17874.7689 0.0000 0.0000 34315.4317 -149344.0504 299.6852 -183659.4820 -149249.1018 298.8721 83.9064 114.5712 556379.4045 11.7394 11.7644 PRESSURE: 1418600 -305.548 -74.3411 -93.9815 -74.3427 -335.947 -113.942 -93.9815 -113.943 229.039 GPRESSURE: 1418600 -277.049 5.18375 -82.6261 -84.3013 -295.697 -99.1072 -93.5915 -116.565 271.679 PRESSAVG: 1418600 56.9469 -14.6295 -22.1451 -14.6296 -4.62083 -12.5117 -22.145 -12.5116 -26.243 GPRESSAVG: 1418600 56.2034 -14.8554 -23.336 -16.5497 -4.72754 -14.7983 -23.5874 -12.4001 -25.4322 TIMING: 1418600 CPU: 4270.9, 0.00303429/step Wall: 4270.9, 0.00303429/step, 3.01861 hours remaining, 208.925781 MB of memory in use. ENERGY: 1418600 751.1804 2068.2719 1924.9019 122.4834 -206237.1969 17676.8101 0.0000 0.0000 34297.1580 -149396.3911 299.5256 -183693.5491 -149304.0154 299.2518 -137.4854 -100.3557 557850.9110 8.6943 8.6812 PRESSURE: 1418800 -80.4714 -58.2518 -79.1928 -58.2525 -180.141 55.0317 -79.1931 55.0316 -178.554 GPRESSURE: 1418800 -102.857 -58.1135 20.1826 -102.536 -131.821 146.808 -98.7918 -7.88755 -115.805 PRESSAVG: 1418800 66.2813 -43.7406 -29.43 -43.7406 -46.0056 6.90973 -29.43 6.90984 -8.43869 GPRESSAVG: 1418800 65.8388 -43.092 -28.1415 -44.1617 -46.1418 6.45689 -31.1679 5.50891 -7.53506 TIMING: 1418800 CPU: 4271.5, 0.00302413/step Wall: 4271.5, 0.00302413/step, 3.00834 hours remaining, 208.925781 MB of memory in use. ENERGY: 1418800 754.5378 2125.7119 1910.0262 111.0808 -206005.0563 17605.0905 0.0000 0.0000 34397.6124 -149100.9968 300.4029 -183498.6092 -148993.9969 299.4452 -146.3887 -116.8274 558662.6850 3.9457 4.0540 PRESSURE: 1419000 -396.462 59.5908 -207.716 59.59 -72.5578 135.512 -207.717 135.512 -21.6743 GPRESSURE: 1419000 -371.082 1.8442 -179.158 131.228 -19.9496 90.4706 -185.225 172.488 -12.0526 PRESSAVG: 1419000 12.4138 20.7777 -54.3055 20.7777 -31.171 21.4773 -54.3057 21.4773 58.1554 GPRESSAVG: 1419000 12.44 20.1631 -53.2705 21.1005 -29.4969 21.6545 -53.7446 23.5406 56.7489 TIMING: 1419000 CPU: 4272.11, 0.00304184/step Wall: 4272.11, 0.00304184/step, 3.02579 hours remaining, 208.925781 MB of memory in use. ENERGY: 1419000 685.3019 2113.3283 1922.3215 105.9947 -205479.7027 17319.3326 0.0000 0.0000 34145.6874 -149187.7362 298.2028 -183333.4237 -149094.2245 299.2914 -163.5648 -134.3614 558263.6206 13.1327 13.2307 PRESSURE: 1419200 -245.635 -142.693 -17.631 -142.693 -103.718 47.0988 -17.6302 47.0974 50.2663 GPRESSURE: 1419200 -177.106 -143.388 49.3177 -183.613 -95.4492 77.2394 -25.5077 -40.0392 72.3065 PRESSAVG: 1419200 -42.2029 -16.1743 -7.86075 -16.1743 37.9215 -41.6605 -7.86079 -41.6606 -13.9098 GPRESSAVG: 1419200 -41.7436 -15.9636 -11.092 -15.6019 36.6079 -40.0037 -5.48571 -45.7526 -13.1874 TIMING: 1419200 CPU: 4272.71, 0.00300452/step Wall: 4272.71, 0.00300452/step, 2.9885 hours remaining, 208.925781 MB of memory in use. ENERGY: 1419200 774.0535 2060.9921 1917.5022 118.4552 -205950.1088 17562.4498 0.0000 0.0000 34331.7606 -149184.8954 299.8278 -183516.6560 -149085.1945 299.5229 -99.6954 -66.7495 557260.4955 -6.0638 -6.1077 PRESSURE: 1419400 25.7156 107.011 90.268 107.011 -206.992 -108.048 90.2681 -108.048 64.5281 GPRESSURE: 1419400 66.4052 43.2199 167.444 102.207 -208.007 -58.8045 65.2567 -137.181 122.872 PRESSAVG: 1419400 -7.71388 5.32484 52.8774 5.32477 -68.0425 -61.2013 52.8775 -61.2013 28.8241 GPRESSAVG: 1419400 -8.35596 3.6308 54.8265 4.68385 -68.0872 -63.7198 52.2584 -56.1072 29.5155 TIMING: 1419400 CPU: 4273.32, 0.003016/step Wall: 4273.32, 0.003016/step, 2.99975 hours remaining, 208.925781 MB of memory in use. ENERGY: 1419400 737.8400 2083.8569 1928.8269 112.9916 -205739.6558 17703.1095 0.0000 0.0000 34201.3036 -148971.7272 298.6885 -183173.0308 -148871.9387 299.6261 -38.9162 -6.2435 557843.5466 -15.6441 -15.6426 PRESSURE: 1419600 117.737 -41.8833 116.478 -41.8826 29.9723 0.721783 116.48 0.720954 -13.538 GPRESSURE: 1419600 121.808 -83.2103 -4.08164 -5.10867 50.4008 -42.8327 18.7934 -15.0587 50.0399 PRESSAVG: 1419600 80.9157 50.8171 39.8211 50.8171 -40.2892 14.3231 39.8212 14.3232 26.5061 GPRESSAVG: 1419600 80.1515 51.8417 40.4777 51.8185 -40.0826 15.6435 37.7938 12.3974 26.7884 TIMING: 1419600 CPU: 4273.92, 0.00302496/step Wall: 4273.92, 0.00302496/step, 3.00849 hours remaining, 208.925781 MB of memory in use. ENERGY: 1419600 774.6371 2110.6216 1936.6909 117.6129 -205797.1347 17808.5168 0.0000 0.0000 34165.0566 -148883.9989 298.3719 -183049.0555 -148784.2779 300.2693 44.7237 74.0828 556484.2085 22.3776 22.2858 PRESSURE: 1419800 136.268 -53.4455 -102.937 -53.4437 32.404 -90.5402 -102.937 -90.5404 -14.1455 GPRESSURE: 1419800 173.743 -119.461 -139.658 68.8963 86.7226 -108.361 -79.0941 -97.4911 -11.0417 PRESSAVG: 1419800 46.2817 32.5887 -5.07287 32.5887 -18.3944 -36.7262 -5.07281 -36.7262 -29.0687 GPRESSAVG: 1419800 46.4631 29.8744 -7.07093 35.7096 -17.696 -35.9437 -2.2478 -36.6661 -30.0441 TIMING: 1419800 CPU: 4274.53, 0.00302991/step Wall: 4274.53, 0.00302991/step, 3.01324 hours remaining, 208.925781 MB of memory in use. ENERGY: 1419800 768.1376 2130.1545 1939.7255 103.3198 -206113.2261 17911.3712 0.0000 0.0000 34319.4506 -148941.0669 299.7203 -183260.5175 -148842.9559 300.6748 51.5089 83.1414 556942.1874 -0.3938 -0.4257 PRESSURE: 1420000 -257.054 -78.0527 -16.8428 -78.0533 -241.061 38.2093 -16.8428 38.2111 -395.013 GPRESSURE: 1420000 -253.433 -104.477 46.7716 -147.02 -255.059 38.9464 -47.4988 19.9191 -300.348 PRESSAVG: 1420000 15.4754 -25.5408 -92.1541 -25.5408 -5.33655 -35.5629 -92.1541 -35.5627 -11.5902 GPRESSAVG: 1420000 16.523 -24.4166 -91.934 -28.1991 -6.75392 -35.2589 -91.7443 -36.6195 -11.037 TIMING: 1420000 CPU: 4275.13, 0.00303309/step Wall: 4275.13, 0.00303309/step, 3.01624 hours remaining, 208.925781 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: 1420000 790.2014 2135.7165 1933.5562 109.6353 -205724.3225 17387.4453 0.0000 0.0000 34321.3157 -149046.4521 299.7366 -183367.7678 -148947.2623 300.8210 -297.7092 -269.6132 557846.3170 -0.4838 -0.4226 PRESSURE: 1420200 -129.065 -61.1833 8.24358 -61.183 -113.195 -1.58184 8.24378 -1.58311 79.0015 GPRESSURE: 1420200 -84.595 -86.7816 36.7998 -57.3084 -32.3394 2.91625 -22.298 -23.5006 53.2204 PRESSAVG: 1420200 11.7957 -12.7974 21.3057 -12.7974 -4.41271 -29.5869 21.3057 -29.587 -28.8605 GPRESSAVG: 1420200 11.4704 -13.041 22.7255 -12.6056 -3.35598 -30.4737 20.5808 -28.8448 -29.8589 TIMING: 1420200 CPU: 4275.75, 0.00307126/step Wall: 4275.75, 0.00307126/step, 3.05403 hours remaining, 208.925781 MB of memory in use. ENERGY: 1420200 750.3930 2097.8174 1954.4906 113.7121 -206175.7920 17675.9373 0.0000 0.0000 34392.4471 -149190.9945 300.3578 -183583.4416 -149093.1942 299.5105 -54.4196 -21.2380 556229.8088 -7.1592 -7.2481 LDB: ============= START OF LOAD BALANCING ============== 4279.27 LDB: ============== END OF LOAD BALANCING =============== 4279.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4279.27 LDB: ============= START OF LOAD BALANCING ============== 4279.58 LDB: Largest compute 4800 load 0.031104 is 26.4% of average load 0.117878 LDB: Average compute 0.001735 is 1.5% of average load 0.117878 LDB: TIME 4279.58 LOAD: AVG 0.117878 MAX 0.217024 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.527 MB LDB: TIME 4279.58 LOAD: AVG 0.117878 MAX 0.217024 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.73 MB LDB: TIME 4279.58 LOAD: AVG 0.117878 MAX 0.217024 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.73 MB LDB: ============== END OF LOAD BALANCING =============== 4279.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4279.59 PRESSURE: 1420400 -71.0978 -87.646 -111.206 -87.6461 260.106 10.7028 -111.208 10.7027 362.317 GPRESSURE: 1420400 -50.5527 -126.945 -46.1173 -119.779 314.137 35.8142 -182.819 4.67572 388.687 PRESSAVG: 1420400 3.85978 17.4437 -8.20033 17.4438 -61.3562 39.4615 -8.20022 39.4614 38.4194 GPRESSAVG: 1420400 3.61937 17.9127 -8.86147 15.9622 -62.2331 40.4855 -8.72037 37.2831 39.5445 TIMING: 1420400 CPU: 4276.37, 0.00309956/step Wall: 4276.37, 0.00309956/step, 3.08199 hours remaining, 208.015625 MB of memory in use. ENERGY: 1420400 721.8354 2068.6114 1926.0324 116.5904 -206491.9936 17959.1093 0.0000 0.0000 34269.5750 -149430.2397 299.2847 -183699.8147 -149330.7386 299.2726 183.7752 217.4239 555694.8746 -6.3590 -6.3564 PRESSURE: 1420600 10.8266 -45.4069 -179.195 -45.407 242.581 -1.66628 -179.195 -1.66605 33.173 GPRESSURE: 1420600 9.74769 -25.5003 -126.749 -44.1263 299.28 78.2006 -231.824 18.5809 82.0123 PRESSAVG: 1420600 -3.98048 -27.3406 -54.5149 -27.3406 -43.7246 45.04 -54.5149 45.0399 33.2111 GPRESSAVG: 1420600 -4.49045 -28.246 -54.5896 -27.2804 -44.2118 43.7269 -55.0964 46.266 34.0803 TIMING: 1420600 CPU: 4276.97, 0.0030144/step Wall: 4276.97, 0.0030144/step, 2.99715 hours remaining, 208.085938 MB of memory in use. ENERGY: 1420600 722.1918 2098.6727 1925.7589 107.5013 -206645.8733 17931.7375 0.0000 0.0000 34322.2978 -149537.7133 299.7452 -183860.0111 -149448.7948 298.2749 95.5267 130.3467 556976.4731 -4.8313 -4.8740 PRESSURE: 1420800 -142.24 19.881 26.6099 19.8792 -13.1538 122.631 26.6093 122.631 -63.3024 GPRESSURE: 1420800 -32.3899 32.8086 43.7972 6.401 29.399 92.3549 -24.5152 146.48 -121.424 PRESSAVG: 1420800 -36.3044 -75.9351 -24.6144 -75.935 -3.43144 14.3211 -24.6144 14.3212 36.3887 GPRESSAVG: 1420800 -35.281 -75.5423 -25.3367 -74.2135 -1.96615 13.4311 -25.2058 14.3136 34.5732 TIMING: 1420800 CPU: 4277.58, 0.00303374/step Wall: 4277.58, 0.00303374/step, 3.01622 hours remaining, 208.085938 MB of memory in use. ENERGY: 1420800 747.4152 2100.7974 1917.5033 120.7341 -206699.0189 17828.4331 0.0000 0.0000 34189.7775 -149794.3583 298.5878 -183984.1358 -149700.5009 299.0280 -72.8989 -41.4716 555949.9831 -1.1157 -0.8913 PRESSURE: 1421000 -33.4088 40.062 -18.3393 40.0617 -273.822 38.446 -18.3395 38.4452 -4.34072 GPRESSURE: 1421000 62.8713 128.158 79.4034 16.5462 -279.549 38.8146 -18.1134 -5.43362 3.0793 PRESSAVG: 1421000 -6.7728 -31.857 -26.2111 -31.857 -47.1906 3.99973 -26.2111 3.99987 26.9771 GPRESSAVG: 1421000 -7.54023 -32.5954 -24.2933 -33.7334 -47.4471 6.36193 -26.0478 3.32645 28.0332 TIMING: 1421000 CPU: 4278.19, 0.00303784/step Wall: 4278.19, 0.00303784/step, 3.02012 hours remaining, 208.085938 MB of memory in use. ENERGY: 1421000 774.2836 2120.4124 1928.7546 96.8642 -206556.6655 17877.1051 0.0000 0.0000 34092.2872 -149666.9583 297.7364 -183759.2456 -149567.7517 298.4500 -103.8571 -71.1996 557632.6778 -8.9955 -8.9847 PRESSURE: 1421200 -168.353 37.8652 90.0873 37.8654 -58.8788 -99.8402 90.0866 -99.8404 1.2053 GPRESSURE: 1421200 -175.353 74.7471 150.274 33.7591 -2.06849 -33.3288 67.7987 -87.2474 49.5386 PRESSAVG: 1421200 -57.6215 0.166545 9.13636 0.166505 42.6957 5.06528 9.13632 5.06527 48.6276 GPRESSAVG: 1421200 -57.0895 1.86721 8.34056 0.587044 42.6679 4.7496 9.78272 4.73422 48.6223 TIMING: 1421200 CPU: 4278.79, 0.00301234/step Wall: 4278.79, 0.00301234/step, 2.9946 hours remaining, 208.085938 MB of memory in use. ENERGY: 1421200 735.7629 2044.5701 1920.2098 115.9369 -206680.4237 17858.0470 0.0000 0.0000 34224.6474 -149781.2497 298.8924 -184005.8971 -149689.4447 298.0828 -75.3422 -42.6275 556107.7005 11.2339 11.4003 PRESSURE: 1421400 31.953 38.4928 -229.907 38.4934 205.791 0.499553 -229.906 0.4979 256.705 GPRESSURE: 1421400 102.381 21.2083 -266.471 107.075 213.921 -88.8766 -164.185 -7.47907 274.638 PRESSAVG: 1421400 -45.3788 21.0763 19.1061 21.0763 96.9726 -0.951479 19.1061 -0.951519 -27.2444 GPRESSAVG: 1421400 -45.3455 21.5659 18.0855 21.7614 97.0755 -0.883244 18.1101 -0.178225 -27.1305 TIMING: 1421400 CPU: 4279.4, 0.00303612/step Wall: 4279.4, 0.00303612/step, 3.01807 hours remaining, 208.085938 MB of memory in use. ENERGY: 1421400 735.6577 2059.5511 1900.9758 116.4336 -206670.4499 18011.9881 0.0000 0.0000 34111.0904 -149734.7531 297.9006 -183845.8436 -149632.8081 297.9611 164.8164 196.9801 555988.6033 8.1165 8.1998 PRESSURE: 1421600 167.59 61.0208 145.154 61.0201 51.5587 159.133 145.154 159.135 -33.9267 GPRESSURE: 1421600 211.322 60.0567 60.0078 -10.7907 58.2819 71.9104 162.331 197.116 15.5809 PRESSAVG: 1421600 -68.9167 13.7382 19.4091 13.7381 18.6175 25.5643 19.4091 25.5643 -18.6629 GPRESSAVG: 1421600 -68.5527 14.5223 17.4607 11.0872 18.1646 23.2401 22.345 24.8991 -18.8029 TIMING: 1421600 CPU: 4280, 0.00303243/step Wall: 4280, 0.00303243/step, 3.01424 hours remaining, 208.085938 MB of memory in use. ENERGY: 1421600 714.5723 2126.8316 1921.3623 115.8638 -206646.8106 17895.0878 0.0000 0.0000 34233.5402 -149639.5525 298.9700 -183873.0927 -149546.9220 298.5940 61.7405 95.0616 556722.7738 -22.9873 -23.0637 PRESSURE: 1421800 -5.33733 71.3964 -75.3399 71.3972 -172.235 83.103 -75.339 83.1032 128.712 GPRESSURE: 1421800 71.5177 49.9586 -132.821 48.5481 -135.918 21.2875 7.50702 169.234 110.541 PRESSAVG: 1421800 -19.1078 3.36229 -19.1191 3.36223 19.4644 -15.0544 -19.1191 -15.0543 -4.92084 GPRESSAVG: 1421800 -20.0215 1.83174 -17.7139 4.52327 19.6144 -13.4797 -22.7906 -14.2025 -4.48335 TIMING: 1421800 CPU: 4280.61, 0.00302306/step Wall: 4280.61, 0.00302306/step, 3.00475 hours remaining, 208.085938 MB of memory in use. ENERGY: 1421800 763.4843 2057.1003 1895.5091 109.6265 -206425.5903 17848.4003 0.0000 0.0000 34127.6001 -149623.8697 298.0448 -183751.4698 -149523.4915 298.0339 -16.2867 15.3803 556501.1502 -1.5214 -1.6301 PRESSURE: 1422000 -193.517 -106.741 46.4728 -106.742 -65.8669 -103.82 46.4725 -103.82 -415.327 GPRESSURE: 1422000 -177.043 -127.14 156.598 -113.818 -59.091 -83.7444 -12.0999 -126.539 -339.12 PRESSAVG: 1422000 -57.2065 -24.8618 -21.2189 -24.8617 13.2021 -30.6419 -21.219 -30.6418 30.8105 GPRESSAVG: 1422000 -56.5707 -25.0359 -19.9885 -25.6701 13.7641 -29.0285 -18.1592 -29.8378 30.5444 TIMING: 1422000 CPU: 4281.21, 0.00301086/step Wall: 4281.21, 0.00301086/step, 2.99246 hours remaining, 208.085938 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: 1422000 762.4600 2143.3854 1916.1694 119.8165 -206215.1763 17578.5281 0.0000 0.0000 34099.0441 -149595.7728 297.7954 -183694.8169 -149494.7785 298.3282 -224.9034 -191.7511 557330.8696 -4.3979 -4.0874 PRESSURE: 1422200 -64.4077 2.46253 -17.8447 2.46334 -3.03666 -88.2554 -17.8442 -88.2564 12.6491 GPRESSURE: 1422200 7.05756 29.9367 -55.0713 -103.542 45.5932 -37.8089 -61.1095 -59.8845 -21.1135 PRESSAVG: 1422200 50.216 -14.1394 -41.1647 -14.1395 -28.9865 -20.2382 -41.1647 -20.2381 -36.6786 GPRESSAVG: 1422200 50.3336 -14.3589 -43.1266 -12.9958 -29.0845 -21.3367 -44.2085 -21.5385 -36.6641 TIMING: 1422200 CPU: 4281.82, 0.00304277/step Wall: 4281.82, 0.00304277/step, 3.02401 hours remaining, 208.085938 MB of memory in use. ENERGY: 1422200 754.4820 2067.5584 1920.3283 105.0465 -206330.0942 17862.2186 0.0000 0.0000 34037.8360 -149582.6244 297.2609 -183620.4604 -149482.1907 297.9668 -18.2651 10.5124 558402.9162 -5.1497 -5.1383 PRESSURE: 1422400 70.4538 22.7412 -183.144 22.741 130.974 -60.2194 -183.143 -60.22 -135.934 GPRESSURE: 1422400 126.031 -33.0244 -174.75 36.0631 146.381 -101.436 -108.629 -41.7023 -107.184 PRESSAVG: 1422400 40.7419 0.202731 -17.4361 0.202704 14.4955 25.4572 -17.4362 25.4573 -4.07421 GPRESSAVG: 1422400 41.7154 -0.283619 -16.5182 0.393431 14.6268 26.2157 -16.3541 24.3318 -4.30966 TIMING: 1422400 CPU: 4282.42, 0.00302786/step Wall: 4282.42, 0.00302786/step, 3.00902 hours remaining, 208.085938 MB of memory in use. ENERGY: 1422400 729.8199 2132.3935 1930.6088 116.6927 -206378.1927 17856.5877 0.0000 0.0000 34088.2400 -149523.8501 297.7011 -183612.0901 -149428.5274 298.5225 21.8313 55.0763 557435.9206 17.0544 17.3442 PRESSURE: 1422600 -54.9226 -68.6453 -15.7905 -68.6439 -123.348 70.8807 -15.7913 70.8806 -66.978 GPRESSURE: 1422600 45.0773 -37.8625 48.0871 -105.072 -117.359 76.6688 -83.3356 148.461 -76.8187 PRESSAVG: 1422600 49.667 -27.547 -6.55511 -27.547 11.4826 12.2688 -6.55507 12.2689 -23.5674 GPRESSAVG: 1422600 49.225 -26.9108 -4.85067 -27.9074 11.6226 11.31 -8.31343 12.9099 -23.2565 TIMING: 1422600 CPU: 4283.02, 0.00300319/step Wall: 4283.02, 0.00300319/step, 2.98434 hours remaining, 208.085938 MB of memory in use. ENERGY: 1422600 772.4592 2128.4291 1918.4373 110.8591 -206442.1501 17776.8982 0.0000 0.0000 34080.9941 -149654.0730 297.6378 -183735.0671 -149555.6658 299.4701 -81.7497 -49.7001 557469.0310 12.5274 12.5304 PRESSURE: 1422800 73.3187 -1.03692 109.771 -1.03653 -128.895 -47.2097 109.771 -47.2091 -38.4722 GPRESSURE: 1422800 75.1261 -115.521 160.729 24.3586 -109.844 6.23536 14.7161 -179.744 25.1338 PRESSAVG: 1422800 31.3247 -72.0543 43.2537 -72.0542 3.65778 35.1901 43.2538 35.1901 -59.763 GPRESSAVG: 1422800 30.4911 -75.3006 42.8908 -69.3466 4.92297 36.1655 45.5103 36.1045 -60.2893 TIMING: 1422800 CPU: 4283.63, 0.00302535/step Wall: 4283.63, 0.00302535/step, 3.00619 hours remaining, 208.085938 MB of memory in use. ENERGY: 1422800 786.5749 2046.4610 1893.5326 102.6394 -206300.6438 17840.3669 0.0000 0.0000 34018.4089 -149612.6601 297.0912 -183631.0690 -149511.6689 298.4368 -31.3493 -3.1946 556928.4481 -8.2602 -8.2917 PRESSURE: 1423000 -320.655 180.8 149.175 180.801 -10.9283 -35.2851 149.175 -35.2861 -150.099 GPRESSURE: 1423000 -254.531 154.074 46.1565 179.33 -6.34304 -60.2109 99.086 -23.5749 -127.244 PRESSAVG: 1423000 -12.9572 -7.67743 27.2949 -7.67745 -17.2282 -5.44745 27.2949 -5.44755 -12.6953 GPRESSAVG: 1423000 -11.9386 -4.84682 26.2497 -8.17265 -17.237 -6.65523 26.4596 -5.9676 -13.2037 TIMING: 1423000 CPU: 4284.23, 0.00301492/step Wall: 4284.23, 0.00301492/step, 2.99566 hours remaining, 208.085938 MB of memory in use. ENERGY: 1423000 778.5389 2079.2104 1944.7091 115.1981 -206073.9089 17556.2789 0.0000 0.0000 33998.2361 -149601.7374 296.9151 -183599.9736 -149498.4420 298.5313 -160.5608 -129.3727 557775.0429 -14.2936 -14.1265 PRESSURE: 1423200 -305.349 3.08276 -117.9 3.0836 -1.36476 80.4833 -117.9 80.482 -214.022 GPRESSURE: 1423200 -210.307 -4.65707 -157.941 64.9516 55.9091 109.993 -59.2486 135.658 -266.067 PRESSAVG: 1423200 -9.52296 -26.2162 3.80282 -26.2163 -10.1566 2.37318 3.80285 2.37306 7.68264 GPRESSAVG: 1423200 -8.68257 -26.5441 4.34567 -28.5024 -12.0921 1.7444 3.42393 2.98936 8.68876 TIMING: 1423200 CPU: 4284.84, 0.00302429/step Wall: 4284.84, 0.00302429/step, 3.0048 hours remaining, 208.085938 MB of memory in use. ENERGY: 1423200 745.7477 2105.7042 1917.5559 126.2233 -206026.0813 17426.1731 0.0000 0.0000 34159.4368 -149545.2403 298.3229 -183704.6771 -149452.0921 298.5239 -173.5787 -140.1550 557321.9306 -3.9990 -4.0286 PRESSURE: 1423400 181.444 8.19776 48.5462 8.19823 214.042 38.5566 48.5453 38.5564 302.833 GPRESSURE: 1423400 234.76 -39.1595 -31.1528 -15.255 260.717 5.24437 67.2957 98.3156 302.141 PRESSAVG: 1423400 0.348209 -21.5908 11.8717 -21.5908 53.8775 32.0846 11.8716 32.0846 -16.9299 GPRESSAVG: 1423400 -0.251177 -20.8394 10.9334 -21.6321 54.7053 32.9428 13.9232 32.0811 -17.8071 TIMING: 1423400 CPU: 4285.44, 0.00301249/step Wall: 4285.44, 0.00301249/step, 2.99291 hours remaining, 208.085938 MB of memory in use. ENERGY: 1423400 727.5552 2078.9833 1941.6963 108.0908 -207210.1004 18407.4947 0.0000 0.0000 34283.8430 -149662.4372 299.4093 -183946.2801 -149563.9657 297.9688 232.7730 265.8728 557018.0366 12.4319 12.2157 PRESSURE: 1423600 -231.839 -73.5605 -113.273 -73.5605 -384.802 93.6462 -113.272 93.644 -63.554 GPRESSURE: 1423600 -165.077 -125.88 -178.79 -65.124 -329.614 -2.89802 -15.1294 164.347 -73.6388 PRESSAVG: 1423600 -5.7539 -38.2195 -1.20377 -38.2195 -36.2394 9.32435 -1.20363 9.32422 19.4553 GPRESSAVG: 1423600 -6.16593 -38.6327 -2.46093 -39.5867 -35.2486 9.26266 -0.33555 8.95738 18.4298 TIMING: 1423600 CPU: 4286.05, 0.00303055/step Wall: 4286.05, 0.00303055/step, 3.01069 hours remaining, 208.085938 MB of memory in use. ENERGY: 1423600 757.7461 2179.6734 1934.5949 110.9676 -206449.4217 17575.2819 0.0000 0.0000 34213.4146 -149677.7431 298.7943 -183891.1578 -149580.7253 298.5841 -226.7319 -189.4433 558087.3077 -7.5127 -7.6616 PRESSURE: 1423800 102.398 -8.5385 -191.009 -8.53817 -19.5008 39.1102 -191.009 39.1099 -113.22 GPRESSURE: 1423800 177.566 2.71405 -163.603 -12.79 -78.5892 -98.7593 -183.784 118.581 -30.0251 PRESSAVG: 1423800 28.1213 -17.7759 18.9615 -17.7759 0.427275 -33.7705 18.9616 -33.7706 -7.71496 GPRESSAVG: 1423800 27.9111 -18.0814 21.2649 -15.1735 -1.49088 -34.5052 14.0848 -33.5967 -5.40944 TIMING: 1423800 CPU: 4286.65, 0.00302668/step Wall: 4286.65, 0.00302668/step, 3.00667 hours remaining, 208.347656 MB of memory in use. ENERGY: 1423800 777.2433 2055.1663 1947.3136 122.2001 -206717.9811 17784.6266 0.0000 0.0000 34367.3489 -149664.0824 300.1386 -184031.4313 -149564.3965 298.5784 -10.1076 22.9838 555955.3261 6.9446 7.0036 PRESSURE: 1424000 22.8549 61.9477 -105.939 61.9482 -139.598 76.9776 -105.938 76.9785 -256.046 GPRESSURE: 1424000 54.2077 -2.9983 -116.883 61.2512 -137.423 101.864 -136.155 29.3084 -190.891 PRESSAVG: 1424000 34.7168 34.8802 44.1289 34.8803 -65.903 -62.4915 44.1288 -62.4914 29.7757 GPRESSAVG: 1424000 35.4765 36.256 44.1275 32.881 -64.7463 -63.309 46.7571 -62.503 28.3293 TIMING: 1424000 CPU: 4287.25, 0.00299693/step Wall: 4287.25, 0.00299693/step, 2.97695 hours remaining, 208.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1424000 758.3788 2113.9370 1922.6520 115.5543 -206708.6435 18034.4202 0.0000 0.0000 34188.8918 -149574.8094 298.5801 -183763.7011 -149472.9749 298.5159 -124.2629 -91.3687 557036.1388 -0.4702 -0.3135 PRESSURE: 1424200 -103.325 159.625 -139.695 159.625 -7.18377 112.782 -139.694 112.78 179.681 GPRESSURE: 1424200 -98.8396 220.218 -66.6965 130.437 38.4447 44.5294 -222.807 86.8221 237.766 PRESSAVG: 1424200 66.8155 -10.9277 -27.2087 -10.9275 -26.1159 -40.8691 -27.2087 -40.8692 -20.171 GPRESSAVG: 1424200 65.9132 -11.9101 -27.4679 -10.2051 -25.4241 -41.2517 -28.8778 -40.1166 -19.7696 TIMING: 1424200 CPU: 4287.86, 0.00302519/step Wall: 4287.86, 0.00302519/step, 3.00485 hours remaining, 208.414062 MB of memory in use. ENERGY: 1424200 742.7780 2128.4218 1945.5218 109.4170 -206825.5745 18023.3807 0.0000 0.0000 34240.5034 -149635.5518 299.0308 -183876.0552 -149536.3971 298.7702 23.0574 59.1238 555820.7971 6.8429 6.9065 LDB: ============= START OF LOAD BALANCING ============== 4291.37 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4291.37 LDB: =============== DONE WITH MIGRATION ================ 4291.37 LDB: ============= START OF LOAD BALANCING ============== 4291.68 LDB: Largest compute 4800 load 0.029965 is 25.4% of average load 0.117937 LDB: Average compute 0.001735 is 1.5% of average load 0.117937 LDB: TIME 4291.68 LOAD: AVG 0.117937 MAX 0.217323 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.297 MB LDB: TIME 4291.68 LOAD: AVG 0.117937 MAX 0.217323 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.5 MB LDB: TIME 4291.68 LOAD: AVG 0.117937 MAX 0.217323 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.5 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4291.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4291.69 PRESSURE: 1424400 -100.935 15.7599 -86.8577 15.7591 257.763 -119.505 -86.8576 -119.505 -86.3428 GPRESSURE: 1424400 -70.2844 44.1231 -72.1818 -28.4927 341.301 -66.6067 -82.6923 -114.208 -95.8945 PRESSAVG: 1424400 -25.4545 40.8467 28.1646 40.8465 13.5306 12.5318 28.1645 12.5317 9.88831 GPRESSAVG: 1424400 -25.0238 39.7363 27.4758 41.7679 13.0474 12.3026 28.1496 13.3247 9.28453 TIMING: 1424400 CPU: 4288.47, 0.00307597/step Wall: 4288.47, 0.00307596/step, 3.05512 hours remaining, 207.042969 MB of memory in use. ENERGY: 1424400 742.9273 2114.9127 1915.6343 119.9650 -206598.2349 17993.2344 0.0000 0.0000 34139.8267 -149571.7345 298.1516 -183711.5612 -149472.7584 297.8799 23.4951 58.3742 555660.2957 -0.6785 -0.8973 PRESSURE: 1424600 -54.0986 -57.3555 -154.364 -57.3549 -156.591 -126.37 -154.364 -126.371 -236.787 GPRESSURE: 1424600 -23.1218 -81.5432 -60.6259 -25.6667 -170.318 -105.211 -262.883 -71.8019 -151.285 PRESSAVG: 1424600 8.6906 -44.9218 7.30931 -44.9218 39.9066 0.0800059 7.30928 0.0800393 -69.4999 GPRESSAVG: 1424600 8.69437 -46.2251 8.27411 -44.5603 38.9007 1.94616 8.70035 -2.00294 -68.5985 TIMING: 1424600 CPU: 4289.08, 0.00303226/step Wall: 4289.08, 0.00303226/step, 3.01154 hours remaining, 207.300781 MB of memory in use. ENERGY: 1424600 767.3726 2167.1965 1929.5075 107.3348 -206722.6298 17687.6103 0.0000 0.0000 34223.5707 -149840.0374 298.8830 -184063.6081 -149748.5625 298.6837 -149.1590 -114.9083 554991.1613 -6.9676 -7.0011 PRESSURE: 1424800 194.357 16.5909 -73.6418 16.5889 270.506 93.5847 -73.6422 93.5826 -33.4772 GPRESSURE: 1424800 297.229 63.9732 -95.945 1.1859 271.063 -14.1876 -91.881 149.482 -45.6791 PRESSAVG: 1424800 45.6792 -3.8955 -29.7534 -3.89556 -1.84611 -29.8609 -29.7534 -29.8608 -45.4246 GPRESSAVG: 1424800 46.4297 -1.95767 -31.4307 -3.75091 -0.504878 -31.4139 -27.8648 -26.4744 -47.6224 TIMING: 1424800 CPU: 4289.68, 0.00304113/step Wall: 4289.68, 0.00304113/step, 3.02018 hours remaining, 207.300781 MB of memory in use. ENERGY: 1424800 763.5120 2054.5676 1900.4215 101.8148 -206936.5659 18128.4944 0.0000 0.0000 34227.5642 -149760.1914 298.9178 -183987.7556 -149659.3248 297.9210 143.7954 174.2041 555192.8135 -0.5305 -0.5659 PRESSURE: 1425000 -261.653 42.0659 15.3609 42.0651 -213.289 -104.214 15.3615 -104.213 -48.2804 GPRESSURE: 1425000 -256.181 -25.3828 -65.7139 83.2696 -145.607 -194.608 23.4195 -33.3067 -24.4963 PRESSAVG: 1425000 68.6195 -19.4846 20.0191 -19.4845 -25.5475 -18.6544 20.0191 -18.6545 -7.24951 GPRESSAVG: 1425000 68.0279 -17.8145 21.4474 -22.7458 -26.7061 -16.8932 18.3262 -21.8004 -5.63745 TIMING: 1425000 CPU: 4290.29, 0.00302978/step Wall: 4290.29, 0.00302978/step, 3.00874 hours remaining, 207.300781 MB of memory in use. ENERGY: 1425000 736.7848 2114.1688 1932.1626 109.6826 -206435.0046 17825.4580 0.0000 0.0000 34072.6899 -149644.0578 297.5653 -183716.7478 -149547.0893 297.8496 -174.4073 -142.0949 558184.3906 11.9408 11.8948 PRESSURE: 1425200 -97.1341 97.4345 -12.4359 97.4348 -161.931 11.606 -12.4352 11.6069 180.206 GPRESSURE: 1425200 -6.16221 144.259 -66.7277 50.134 -106.865 92.3209 -22.1492 -78.1057 139.464 PRESSAVG: 1425200 -14.0646 -22.1601 9.74739 -22.1601 52.989 43.927 9.74743 43.9271 28.5114 GPRESSAVG: 1425200 -14.4777 -22.0525 9.04515 -19.6701 53.4821 44.1424 10.1217 45.8448 28.4664 TIMING: 1425200 CPU: 4290.9, 0.00302638/step Wall: 4290.9, 0.00302638/step, 3.00519 hours remaining, 207.300781 MB of memory in use. ENERGY: 1425200 764.9518 2025.5209 1913.3169 114.4208 -206077.3313 17777.1376 0.0000 0.0000 33969.1454 -149512.8378 296.6610 -183481.9832 -149416.9935 298.3048 -26.2863 8.8121 559031.1537 22.4786 22.4903 PRESSURE: 1425400 149.439 -46.3582 26.6541 -46.3589 130.641 -159.117 26.6534 -159.119 -285.122 GPRESSURE: 1425400 147.618 -88.1447 -88.3496 -52.8842 180.338 -126.829 80.994 -148.142 -212.044 PRESSAVG: 1425400 72.8801 -0.377419 27.6192 -0.377534 -1.87277 43.3257 27.6191 43.3256 -59.4285 GPRESSAVG: 1425400 72.4365 -1.14112 29.2038 1.59979 -2.21069 43.2727 27.0004 41.4991 -58.6226 TIMING: 1425400 CPU: 4291.5, 0.00303613/step Wall: 4291.5, 0.00303613/step, 3.0147 hours remaining, 207.300781 MB of memory in use. ENERGY: 1425400 731.9543 2043.8011 1902.1184 99.0309 -206306.7888 17788.4260 0.0000 0.0000 34226.4566 -149515.0015 298.9082 -183741.4581 -149416.9620 298.0571 -1.6805 38.6371 556405.5407 3.8596 3.8677 PRESSURE: 1425600 -64.8848 -101.097 59.1641 -101.097 -335.944 81.608 59.1628 81.6093 -2.43194 GPRESSURE: 1425600 -66.336 -14.4012 75.1635 -128.623 -240.347 222.625 31.2746 30.4042 -0.148603 PRESSAVG: 1425600 88.1771 35.4602 25.0544 35.4602 -5.55348 -8.6474 25.0544 -8.64747 -45.8433 GPRESSAVG: 1425600 89.2234 36.5288 23.6804 34.4498 -5.41476 -7.86039 25.3572 -8.9744 -46.6358 TIMING: 1425600 CPU: 4292.11, 0.0030268/step Wall: 4292.11, 0.0030268/step, 3.00528 hours remaining, 207.371094 MB of memory in use. ENERGY: 1425600 742.3935 2113.8408 1973.6087 103.4757 -206169.2406 17622.1792 0.0000 0.0000 34204.1012 -149409.6415 298.7129 -183613.7426 -149305.1220 298.5832 -134.4203 -102.2772 556920.5677 12.2601 12.3909 PRESSURE: 1425800 -115.175 -132.143 -30.2867 -132.141 -230.031 21.9955 -30.2872 21.9976 -226.494 GPRESSURE: 1425800 -41.4142 -76.7576 -10.2155 -181.824 -196.295 -4.98451 -84.0152 34.9396 -225.385 PRESSAVG: 1425800 86.6436 10.2475 -11.1345 10.2476 -5.13465 40.6658 -11.1344 40.6657 -55.7215 GPRESSAVG: 1425800 86.6661 7.8205 -12.7993 9.26617 -4.91941 39.0863 -9.53644 41.8604 -56.4063 TIMING: 1425800 CPU: 4292.71, 0.00301553/step Wall: 4292.71, 0.00301553/step, 2.99392 hours remaining, 207.371094 MB of memory in use. ENERGY: 1425800 727.8771 2082.7726 1934.2231 119.1537 -205953.7805 17462.0589 0.0000 0.0000 34109.8240 -149517.8712 297.8896 -183627.6952 -149421.0336 298.7255 -190.5664 -154.3646 556342.4737 8.5958 8.4468 PRESSURE: 1426000 -133.78 23.1583 -67.0214 23.1584 -422.741 -111.589 -67.0206 -111.589 -87.2144 GPRESSURE: 1426000 -80.1412 59.9261 -60.3759 -4.74553 -318.724 -41.4292 -0.490362 -86.8683 -132.603 PRESSAVG: 1426000 58.9917 9.60458 3.18933 9.60451 -79.1373 75.8593 3.18932 75.8593 -19.0809 GPRESSAVG: 1426000 57.933 11.7807 3.67342 7.71855 -79.2233 77.7212 2.82798 76.4273 -17.876 TIMING: 1426000 CPU: 4293.32, 0.00302532/step Wall: 4293.32, 0.00302532/step, 3.00347 hours remaining, 207.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1426000 756.4581 2052.0729 1904.0231 123.5331 -205868.5848 17545.2779 0.0000 0.0000 34098.9113 -149388.3083 297.7943 -183487.2196 -149293.2816 298.3803 -214.5784 -177.1561 557909.5561 -13.0755 -13.0555 PRESSURE: 1426200 -176.259 176.911 80.7182 176.91 227.997 -157.064 80.7178 -157.063 142.239 GPRESSURE: 1426200 -79.5996 111.502 120.6 164.422 227.346 -175.398 50.3363 -117.083 132.295 PRESSAVG: 1426200 9.56576 2.60369 61.4592 2.60365 2.63417 -14.6679 61.4593 -14.668 -12.4521 GPRESSAVG: 1426200 10.0788 2.50741 62.5222 2.18373 2.16368 -16.2163 60.3116 -13.5961 -12.7217 TIMING: 1426200 CPU: 4293.93, 0.00306038/step Wall: 4293.93, 0.00306038/step, 3.0381 hours remaining, 207.371094 MB of memory in use. ENERGY: 1426200 775.9628 2096.7675 1913.5121 105.7137 -206386.7351 17993.2889 0.0000 0.0000 34050.1791 -149451.3111 297.3687 -183501.4902 -149358.1514 298.6112 64.6592 93.3474 557945.5343 -0.0841 -0.1598 PRESSURE: 1426400 145.917 202.246 -137.328 202.246 -26.9648 -69.964 -137.327 -69.963 -170.552 GPRESSURE: 1426400 144.092 178.637 -166.796 262.244 62.6626 -183.684 -78.033 -65.2942 -166.489 PRESSAVG: 1426400 -18.288 22.0324 7.48684 22.0324 19.7083 2.78963 7.48681 2.7897 -20.7674 GPRESSAVG: 1426400 -18.758 20.1382 8.43505 25.9849 19.6309 4.15281 8.42533 1.62799 -19.5789 TIMING: 1426400 CPU: 4294.54, 0.00307433/step Wall: 4294.54, 0.00307433/step, 3.05179 hours remaining, 207.371094 MB of memory in use. ENERGY: 1426400 742.7402 2111.2655 1920.2485 112.9431 -206591.2659 17852.6014 0.0000 0.0000 34390.5361 -149460.9310 300.3411 -183851.4672 -149358.1905 298.7687 -17.1999 13.4219 557096.5248 -6.4490 -6.2353 PRESSURE: 1426600 -13.3359 16.0187 -106.098 16.0191 44.9826 70.7274 -106.098 70.7254 104.782 GPRESSURE: 1426600 10.1277 55.428 -141.268 111.578 50.9805 66.8954 -21.6455 -40.596 161.084 PRESSAVG: 1426600 -21.9554 20.0306 12.9591 20.0306 -30.441 3.62155 12.9591 3.62145 17.9754 GPRESSAVG: 1426600 -22.2874 21.8267 12.4861 18.5766 -29.5625 0.902793 14.2908 6.00192 17.2428 TIMING: 1426600 CPU: 4295.16, 0.00306892/step Wall: 4295.16, 0.00306892/step, 3.04624 hours remaining, 207.371094 MB of memory in use. ENERGY: 1426600 759.6921 2050.8430 1909.7894 107.7528 -206348.2080 17877.6800 0.0000 0.0000 34091.7416 -149550.7092 297.7317 -183642.4508 -149453.6457 297.9767 45.4762 74.0639 557708.5655 -11.4737 -11.5357 PRESSURE: 1426800 52.5637 37.1374 94.4277 37.1372 -28.1095 8.06145 94.4268 8.06205 -70.6052 GPRESSURE: 1426800 33.4198 53.336 136.204 -4.80097 0.816649 77.2484 124.298 11.8031 24.4477 PRESSAVG: 1426800 -19.7556 -7.6051 29.3239 -7.60518 4.14666 26.5331 29.3239 26.5332 49.4594 GPRESSAVG: 1426800 -18.8172 -7.96547 29.0683 -8.60165 3.71109 29.6496 26.6069 24.589 49.4903 TIMING: 1426800 CPU: 4295.78, 0.00310742/step Wall: 4295.78, 0.00310742/step, 3.08429 hours remaining, 207.371094 MB of memory in use. ENERGY: 1426800 758.5843 2080.2651 1919.7919 111.0885 -206516.3775 17823.3130 0.0000 0.0000 34298.3694 -149524.9651 299.5362 -183823.3346 -149427.8181 298.5777 -15.3837 19.5614 556996.5472 11.2835 11.4614 PRESSURE: 1427000 -123.58 67.2064 22.2717 67.2046 -241.872 -12.258 22.2708 -12.2571 -181.666 GPRESSURE: 1427000 -69.8569 58.8909 75.7179 -19.7476 -203.234 20.8972 -16.8711 -65.8935 -179.486 PRESSAVG: 1427000 -20.9116 -21.2014 25.8026 -21.2015 -56.0117 -20.3932 25.8026 -20.3932 29.4907 GPRESSAVG: 1427000 -21.3938 -21.2627 24.1205 -22.0615 -55.7956 -20.7608 27.9368 -21.2503 29.4172 TIMING: 1427000 CPU: 4296.39, 0.00306334/step Wall: 4296.39, 0.00306334/step, 3.04036 hours remaining, 207.371094 MB of memory in use. ENERGY: 1427000 739.4351 2064.2976 1941.4594 126.8348 -206182.9042 17594.9112 0.0000 0.0000 34138.8321 -149577.1340 298.1429 -183715.9661 -149478.7854 298.3058 -182.3725 -150.8588 557591.3099 -15.8109 -15.9241 PRESSURE: 1427200 10.8223 -28.8762 -137.996 -28.8759 -208.766 -83.5243 -137.996 -83.5237 186.74 GPRESSURE: 1427200 7.85563 42.168 -161.977 -28.535 -146.846 -74.1427 -85.9889 -45.152 229.467 PRESSAVG: 1427200 7.34077 2.21656 21.5316 2.21646 13.5695 -6.23516 21.5316 -6.23518 -56.079 GPRESSAVG: 1427200 6.95717 3.17321 22.4443 2.91723 14.3832 -6.46805 20.6239 -5.48301 -56.1948 TIMING: 1427200 CPU: 4297, 0.00303756/step Wall: 4297, 0.00303756/step, 3.01461 hours remaining, 207.371094 MB of memory in use. ENERGY: 1427200 767.0170 2097.6763 1919.3501 108.5225 -206455.1583 17909.0643 0.0000 0.0000 33959.5892 -149693.9389 296.5775 -183653.5280 -149594.7934 297.4368 -3.7345 30.1589 556668.5204 -11.7229 -11.6181 PRESSURE: 1427400 -0.503893 32.2363 103.547 32.2374 -50.1885 -182.83 103.547 -182.829 100.716 GPRESSURE: 1427400 69.9964 -41.9963 120.069 56.4769 -4.58063 -161.253 122.359 -133.661 76.5662 PRESSAVG: 1427400 -43.42 20.8189 4.84038 20.8189 18.9983 32.116 4.84042 32.1161 47.0805 GPRESSAVG: 1427400 -42.7511 19.2523 6.78196 21.9458 18.6752 31.6943 5.27209 32.3729 47.0973 TIMING: 1427400 CPU: 4297.6, 0.00300819/step Wall: 4297.6, 0.00300819/step, 2.9853 hours remaining, 207.371094 MB of memory in use. ENERGY: 1427400 724.9466 2087.8785 1941.7279 108.3870 -206419.1948 18013.3675 0.0000 0.0000 33972.0323 -149570.8550 296.6862 -183542.8873 -149477.2886 298.0256 16.6747 47.3273 557340.5666 7.5529 7.6738 PRESSURE: 1427600 -31.2985 -308.841 -11.2479 -308.842 191.915 -183.262 -11.2466 -183.259 -232.184 GPRESSURE: 1427600 89.8699 -271.101 7.91352 -273.529 168.578 -248.14 28.5686 -120.182 -217.156 PRESSAVG: 1427600 -17.433 -23.7787 11.7019 -23.7787 11.9618 -28.2368 11.702 -28.2368 9.16129 GPRESSAVG: 1427600 -17.2068 -21.0255 10.6289 -27.4162 10.3373 -27.8863 10.6203 -29.2673 10.2509 TIMING: 1427600 CPU: 4298.21, 0.00302646/step Wall: 4298.21, 0.00302646/step, 3.00325 hours remaining, 207.371094 MB of memory in use. ENERGY: 1427600 728.6764 2096.2872 1924.3173 109.7080 -206332.6287 17837.5409 0.0000 0.0000 34123.7427 -149512.3563 298.0111 -183636.0990 -149418.7167 297.7072 -23.8558 13.7642 556919.2033 1.2300 1.1271 PRESSURE: 1427800 4.65675 149.389 -111.239 149.388 17.8845 -53.174 -111.238 -53.1729 98.8029 GPRESSURE: 1427800 54.2562 54.9213 -138.704 192.298 49.1782 -75.0583 -136.325 -60.1899 124.135 PRESSAVG: 1427800 26.081 -29.458 18.6437 -29.458 -22.8786 2.62117 18.6438 2.62119 -26.7499 GPRESSAVG: 1427800 26.377 -29.9996 19.4159 -28.2602 -22.5269 4.40947 20.3853 3.56871 -27.8898 TIMING: 1427800 CPU: 4298.82, 0.0030835/step Wall: 4298.82, 0.0030835/step, 3.05968 hours remaining, 207.371094 MB of memory in use. ENERGY: 1427800 689.2636 2064.4468 1932.2918 119.4928 -206687.1666 17979.2216 0.0000 0.0000 34313.2673 -149589.1826 299.6663 -183902.4499 -149489.5573 298.2256 40.4481 75.8565 557829.8470 -7.8492 -8.0132 PRESSURE: 1428000 137.866 83.9413 1.78094 83.9417 -195.649 160.813 1.78133 160.811 -49.1961 GPRESSURE: 1428000 182.842 9.87095 3.12205 53.5181 -160.618 155.58 -46.6178 153.754 -21.0663 PRESSAVG: 1428000 11.9215 7.13579 3.94532 7.1358 36.2981 -1.67468 3.94521 -1.67463 -29.6936 GPRESSAVG: 1428000 11.3434 6.94544 3.28074 8.20578 37.0276 -0.957025 3.35008 -2.55357 -29.5659 TIMING: 1428000 CPU: 4299.44, 0.00307043/step Wall: 4299.44, 0.00307043/step, 3.04654 hours remaining, 207.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1428000 770.9878 2117.1126 1949.1514 113.0669 -206395.6441 17898.2009 0.0000 0.0000 33946.8714 -149600.2531 296.4665 -183547.1245 -149514.1915 298.3331 -35.6596 0.3858 558297.9057 6.1753 6.2683 PRESSURE: 1428200 -168.786 86.8718 -100.48 86.8723 -242.797 184.593 -100.481 184.592 -116.488 GPRESSURE: 1428200 -142.554 13.1063 -92.4038 44.9316 -138.588 214.924 -135.726 153.644 -133.969 PRESSAVG: 1428200 -42.3298 -10.6771 -38.7938 -10.677 23.6938 53.4446 -38.7938 53.4445 21.6519 GPRESSAVG: 1428200 -43.5109 -11.3219 -39.6982 -11.429 23.956 52.8649 -38.7354 54.0018 22.4087 TIMING: 1428200 CPU: 4300.05, 0.00307137/step Wall: 4300.05, 0.00307137/step, 3.04731 hours remaining, 207.371094 MB of memory in use. ENERGY: 1428200 728.3235 2108.8298 1923.5390 106.7577 -206009.8101 17569.0175 0.0000 0.0000 34068.9480 -149504.3947 297.5326 -183573.3427 -149399.6837 298.1444 -176.0237 -138.3705 558719.4586 1.0053 0.9512 LDB: ============= START OF LOAD BALANCING ============== 4303.57 LDB: ============== END OF LOAD BALANCING =============== 4303.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4303.57 LDB: ============= START OF LOAD BALANCING ============== 4303.88 LDB: Largest compute 4800 load 0.030319 is 25.7% of average load 0.117882 LDB: Average compute 0.001739 is 1.5% of average load 0.117882 LDB: TIME 4303.88 LOAD: AVG 0.117882 MAX 0.22283 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.586 MB LDB: TIME 4303.88 LOAD: AVG 0.117882 MAX 0.22283 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.789 MB LDB: TIME 4303.88 LOAD: AVG 0.117882 MAX 0.22283 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.789 MB LDB: ============== END OF LOAD BALANCING =============== 4303.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4303.89 PRESSURE: 1428400 -313.78 -50.3641 -14.529 -50.3636 -147.854 88.7535 -14.5304 88.753 91.4212 GPRESSURE: 1428400 -251.413 83.1872 36.8283 -73.567 -78.5285 163.044 -34.0241 44.3243 65.7753 PRESSAVG: 1428400 -25.8505 36.3299 57.3767 36.33 -40.0315 45.0121 57.3768 45.0122 27.641 GPRESSAVG: 1428400 -24.4142 37.1472 57.3022 38.2308 -40.2971 44.4421 57.8467 44.9509 26.7743 TIMING: 1428400 CPU: 4300.67, 0.0030999/step Wall: 4300.67, 0.0030999/step, 3.07545 hours remaining, 208.785156 MB of memory in use. ENERGY: 1428400 712.6269 2098.0962 1926.5499 118.8447 -206135.1243 17594.9852 0.0000 0.0000 34213.8277 -149470.1936 298.7979 -183684.0213 -149372.0424 298.7105 -123.4045 -88.0555 558666.1879 -12.7470 -12.6457 PRESSURE: 1428600 108.635 -41.0616 19.1608 -41.0618 -68.0493 -224.358 19.1608 -224.357 -88.0759 GPRESSURE: 1428600 108.357 -53.4926 -104.209 -3.36504 -28.6282 -163.252 33.33 -163.546 -23.5599 PRESSAVG: 1428600 27.6429 -12.7335 7.34651 -12.7336 -1.00457 61.5701 7.34652 61.5702 8.03141 GPRESSAVG: 1428600 28.1363 -14.9828 7.85898 -14.4471 -1.23538 61.4722 7.03996 61.9448 7.95469 TIMING: 1428600 CPU: 4301.28, 0.00304762/step Wall: 4301.28, 0.00304762/step, 3.02341 hours remaining, 208.988281 MB of memory in use. ENERGY: 1428600 697.9719 2135.2209 1908.7181 103.1199 -206278.5119 17846.3627 0.0000 0.0000 34318.1679 -149268.9505 299.7091 -183587.1184 -149167.5839 298.6540 -15.8300 18.7228 558588.8270 11.5566 11.6185 PRESSURE: 1428800 -65.7716 3.07774 -38.0809 3.07811 12.4219 70.9971 -38.0799 70.9987 -70.7271 GPRESSURE: 1428800 -78.5344 -53.5418 -89.2801 41.1502 63.3572 61.9386 -8.67868 112.541 -6.68195 PRESSAVG: 1428800 26.1784 30.6309 -16.331 30.6309 24.3371 -47.3277 -16.331 -47.3276 -27.0541 GPRESSAVG: 1428800 25.9086 31.1081 -16.6604 32.201 24.8278 -47.6281 -15.404 -47.5436 -27.6799 TIMING: 1428800 CPU: 4301.89, 0.00306891/step Wall: 4301.89, 0.00306891/step, 3.04436 hours remaining, 208.988281 MB of memory in use. ENERGY: 1428800 761.7309 2114.7992 1935.6486 108.9090 -206308.7830 17893.1109 0.0000 0.0000 34134.0861 -149360.4985 298.1015 -183494.5846 -149270.2663 298.7624 -41.3589 -7.2864 559436.4779 7.8205 7.6855 PRESSURE: 1429000 -332.116 -5.96746 -136.247 -5.96779 -129.823 -11.337 -136.247 -11.3363 -198.078 GPRESSURE: 1429000 -287.12 34.1994 -148.433 -5.77479 -132.134 -97.2548 -164.668 19.6623 -130.589 PRESSAVG: 1429000 -26.3225 19.1781 -3.49177 19.1781 -16.202 -5.55659 -3.4918 -5.55658 34.2449 GPRESSAVG: 1429000 -26.6511 17.7017 -3.57976 19.1577 -15.1612 -4.62248 -4.45679 -5.87366 33.9232 TIMING: 1429000 CPU: 4302.51, 0.00308928/step Wall: 4302.51, 0.00308928/step, 3.06439 hours remaining, 208.988281 MB of memory in use. ENERGY: 1429000 767.7787 2106.5103 1930.4793 119.3140 -206188.1171 17574.6579 0.0000 0.0000 34421.1198 -149268.2571 300.6082 -183689.3769 -149173.0623 298.5562 -220.0057 -183.2809 558809.9751 -2.7598 -2.6297 PRESSURE: 1429200 100.6 23.013 9.55733 23.0142 -198.939 -28.1422 9.55794 -28.1434 40.8431 GPRESSURE: 1429200 132.559 34.2309 23.5541 12.3281 -150.758 -76.4038 -4.54359 55.0304 56.2003 PRESSAVG: 1429200 -8.69136 46.4803 -7.86923 46.4803 -12.5695 4.82802 -7.86922 4.82814 7.2756 GPRESSAVG: 1429200 -9.05217 48.6199 -9.04675 46.9975 -12.8988 3.91226 -7.51878 8.01939 7.68327 TIMING: 1429200 CPU: 4303.13, 0.00307379/step Wall: 4303.13, 0.00307379/step, 3.04886 hours remaining, 208.988281 MB of memory in use. ENERGY: 1429200 729.5485 2096.4448 1927.5276 104.9492 -206077.9054 17606.4711 0.0000 0.0000 34309.6181 -149303.3461 299.6344 -183612.9642 -149215.3250 298.7544 -19.1653 12.6674 558250.7111 -4.6617 -4.7559 PRESSURE: 1429400 -23.4786 50.8521 150.921 50.8508 -88.7318 -85.1738 150.92 -85.1744 77.5968 GPRESSURE: 1429400 31.6883 86.1669 154.809 -20.2458 -114.623 -155.456 134.468 -13.9147 139.28 PRESSAVG: 1429400 44.8912 30.988 65.5883 30.9881 -57.0982 16.8671 65.5884 16.867 19.1469 GPRESSAVG: 1429400 45.4346 33.0021 67.112 27.7028 -57.2716 17.539 64.3955 15.4893 19.0259 TIMING: 1429400 CPU: 4303.74, 0.00306798/step Wall: 4303.74, 0.00306798/step, 3.04292 hours remaining, 208.988281 MB of memory in use. ENERGY: 1429400 744.1900 2066.6774 1911.1221 132.2514 -206623.4776 18002.4491 0.0000 0.0000 34328.3829 -149438.4047 299.7983 -183766.7876 -149340.1373 298.0166 -11.5379 18.7818 558386.6284 2.3133 2.3963 PRESSURE: 1429600 41.5542 -82.3423 -22.0079 -82.3425 -156.78 -77.365 -22.0074 -77.3647 137.993 GPRESSURE: 1429600 82.5132 -81.3344 -49.2712 -73.9566 -109.482 -4.80055 -62.6152 -62.7464 163.58 PRESSAVG: 1429600 34.4706 -8.98753 0.991451 -8.9875 -45.8182 30.829 0.991514 30.829 66.5245 GPRESSAVG: 1429600 33.8478 -9.71661 -0.214786 -7.05328 -46.1577 32.2585 2.64316 29.242 67.369 TIMING: 1429600 CPU: 4304.35, 0.00302474/step Wall: 4304.35, 0.00302474/step, 2.99987 hours remaining, 208.988281 MB of memory in use. ENERGY: 1429600 733.9317 2117.2498 1906.1479 102.7728 -206471.5443 17887.3146 0.0000 0.0000 34361.2625 -149362.8650 300.0855 -183724.1274 -149274.5333 298.2178 7.5893 45.5372 557161.2410 18.3923 18.3530 PRESSURE: 1429800 -61.4192 -138.098 112.417 -138.098 81.269 62.6519 112.417 62.6522 171.12 GPRESSURE: 1429800 32.3356 -150.773 146.915 -68.138 73.3852 126.875 111.918 5.67725 188.05 PRESSAVG: 1429800 -39.9136 -29.129 8.81545 -29.129 7.8506 8.95152 8.81535 8.95144 12.6518 GPRESSAVG: 1429800 -39.8522 -30.2647 8.64563 -29.3593 7.53359 6.21431 8.69758 10.7156 12.2889 TIMING: 1429800 CPU: 4304.95, 0.00303353/step Wall: 4304.95, 0.00303353/step, 3.00842 hours remaining, 208.988281 MB of memory in use. ENERGY: 1429800 749.3371 2039.0428 1920.1163 108.2660 -206328.4601 17930.0192 0.0000 0.0000 34195.0799 -149386.5989 298.6341 -183581.6788 -149295.4136 298.5747 63.6565 97.9234 558528.1738 -6.4704 -6.6766 PRESSURE: 1430000 100.222 80.8513 30.3968 80.8506 104.087 16.9104 30.3957 16.9082 94.7363 GPRESSURE: 1430000 163.693 1.78107 10.7127 114.576 75.2283 39.3618 -4.19756 46.5841 154.058 PRESSAVG: 1430000 -25.8512 11.1459 21.4181 11.146 -7.41327 -1.96986 21.4181 -1.9698 26.3016 GPRESSAVG: 1430000 -25.3569 12.5567 23.4961 10.5719 -7.57685 0.368408 21.4183 -1.82413 26.0233 TIMING: 1430000 CPU: 4305.57, 0.00306801/step Wall: 4305.57, 0.00306801/step, 3.04244 hours remaining, 208.988281 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: 1430000 724.6274 2048.1005 1917.4382 108.5999 -206280.7807 17847.3903 0.0000 0.0000 34356.1856 -149278.4388 300.0411 -183634.6244 -149185.7868 299.4051 99.6818 130.9930 556355.4384 -2.3210 -2.3035 PRESSURE: 1430200 -23.243 125.004 11.0273 125.005 87.7088 -94.8383 11.0279 -94.8384 -178.994 GPRESSURE: 1430200 47.5919 58.9555 -96.2366 146.321 99.1423 -79.4045 98.296 -68.2943 -171.966 PRESSAVG: 1430200 -7.06193 40.7861 -39.4108 40.7862 15.7875 6.39993 -39.4109 6.39982 -25.9014 GPRESSAVG: 1430200 -7.88948 40.2612 -41.9629 40.5472 15.8231 6.84319 -38.3126 5.62669 -25.5294 TIMING: 1430200 CPU: 4306.18, 0.00306543/step Wall: 4306.18, 0.00306543/step, 3.03971 hours remaining, 208.988281 MB of memory in use. ENERGY: 1430200 762.5537 2037.4102 1926.1165 106.3248 -206025.0404 17794.6931 0.0000 0.0000 33999.8023 -149398.1397 296.9287 -183397.9420 -149296.7633 299.1182 -38.1760 -8.4106 559576.4930 -5.7253 -5.8652 PRESSURE: 1430400 -156.845 -197.562 104.445 -197.563 -245.483 -114.509 104.445 -114.51 286.954 GPRESSURE: 1430400 -152.684 -182.719 144.956 -199.486 -168.575 -123.594 105.314 -43.1023 298.578 PRESSAVG: 1430400 -56.4293 50.5549 39.4409 50.5549 -0.429982 -14.0439 39.4408 -14.044 65.3047 GPRESSAVG: 1430400 -55.4411 50.9537 41.1294 51.1403 -0.162232 -16.5731 34.8312 -13.0566 64.0461 TIMING: 1430400 CPU: 4306.78, 0.00302824/step Wall: 4306.78, 0.00302824/step, 3.00267 hours remaining, 208.988281 MB of memory in use. ENERGY: 1430400 768.9812 2111.9970 1931.3380 109.1803 -206383.5077 17927.5049 0.0000 0.0000 34290.7766 -149243.7299 299.4699 -183534.5065 -149148.2841 299.3638 -38.4578 -7.5601 558962.8646 2.8152 2.8142 PRESSURE: 1430600 -50.8388 169.372 -148.468 169.371 -93.7024 59.2633 -148.467 59.2622 -77.3082 GPRESSURE: 1430600 -23.8998 188.792 -145.382 129.345 -103.31 17.0439 -120.602 55.276 -4.46053 PRESSAVG: 1430600 70.7631 73.6072 -27.1039 73.6072 -60.3968 -21.1116 -27.104 -21.1116 -18.0087 GPRESSAVG: 1430600 70.0246 71.0326 -29.1287 77.3275 -61.1423 -18.1807 -23.2401 -22.9979 -16.8533 TIMING: 1430600 CPU: 4307.39, 0.00303459/step Wall: 4307.39, 0.00303459/step, 3.00879 hours remaining, 208.988281 MB of memory in use. ENERGY: 1430600 754.6735 2098.5412 1924.0291 100.0193 -206028.1137 17746.3419 0.0000 0.0000 34098.0176 -149306.4911 297.7865 -183404.5087 -149210.5785 299.7246 -73.9498 -43.8902 557267.3756 -2.5474 -2.6570 PRESSURE: 1430800 147.742 28.8369 190.314 28.8353 29.9628 -218.438 190.313 -218.439 -118.83 GPRESSURE: 1430800 175.492 27.1124 186.122 10.5485 107.115 -272.407 243.362 -56.8629 -116.367 PRESSAVG: 1430800 33.9514 86.062 21.1216 86.062 56.002 -8.7868 21.1216 -8.78667 -51.7728 GPRESSAVG: 1430800 34.072 86.9981 22.8697 84.5685 56.0787 -9.9318 19.0339 -6.73045 -51.1809 TIMING: 1430800 CPU: 4308, 0.00304587/step Wall: 4308, 0.00304587/step, 3.01981 hours remaining, 208.988281 MB of memory in use. ENERGY: 1430800 729.5155 2125.8404 1917.0173 105.1413 -206081.5730 17690.0110 0.0000 0.0000 34300.0600 -149213.9875 299.5510 -183514.0475 -149124.8888 299.3901 19.6247 55.4132 556260.7184 12.7269 12.9899 PRESSURE: 1431000 226.208 -37.5057 154.782 -37.5062 166.822 31.8251 154.78 31.8248 -56.4535 GPRESSURE: 1431000 255.609 -6.96545 83.6282 -34.1423 172.152 78.1715 203.29 103.44 9.37141 PRESSAVG: 1431000 65.349 21.9394 67.4426 21.9393 -34.8032 -2.57523 67.4425 -2.5752 -50.8962 GPRESSAVG: 1431000 66.4863 20.7615 66.7792 22.0512 -34.7601 -3.04655 68.0068 -4.18073 -51.8277 TIMING: 1431000 CPU: 4308.61, 0.00304543/step Wall: 4308.61, 0.00304543/step, 3.01921 hours remaining, 208.988281 MB of memory in use. ENERGY: 1431000 763.5523 2126.6174 1929.3315 120.8141 -206458.2232 18121.5827 0.0000 0.0000 34127.0885 -149269.2367 298.0404 -183396.3252 -149179.9490 298.8663 112.1922 145.7107 556496.0709 -6.7835 -6.7005 PRESSURE: 1431200 -167.754 -85.1732 -235.388 -85.1738 -75.3766 124.438 -235.388 124.437 -16.523 GPRESSURE: 1431200 -107.23 -90.1521 -177.665 -97.6702 -86.4806 172.335 -264.92 139.837 36.0871 PRESSAVG: 1431200 5.95616 22.0244 -14.048 22.0243 -41.0271 47.3645 -14.048 47.3644 55.2613 GPRESSAVG: 1431200 5.92118 22.1452 -14.4503 22.4172 -40.6936 47.0845 -13.0763 48.3979 54.9354 TIMING: 1431200 CPU: 4309.22, 0.00304633/step Wall: 4309.22, 0.00304633/step, 3.01993 hours remaining, 208.988281 MB of memory in use. ENERGY: 1431200 771.5241 2079.9793 1916.5765 107.3533 -205984.0642 17715.2601 0.0000 0.0000 34371.7513 -149021.6195 300.1771 -183393.3707 -148930.5920 299.7143 -86.5510 -52.5412 556735.6871 6.7301 6.7210 PRESSURE: 1431400 -84.0107 -87.2084 -29.8949 -87.2076 45.1913 48.101 -29.896 48.1009 245.822 GPRESSURE: 1431400 -63.6237 -148.623 -4.27767 -38.4605 106.508 -49.5166 -101.281 76.7096 258.521 PRESSAVG: 1431400 -52.4555 -37.7622 -51.6461 -37.7621 7.09877 -6.9531 -51.6462 -6.9532 25.7374 GPRESSAVG: 1431400 -52.658 -36.6751 -50.9216 -38.43 7.65204 -6.89284 -51.6134 -8.52771 26.0515 TIMING: 1431400 CPU: 4309.83, 0.00302961/step Wall: 4309.83, 0.00302961/step, 3.00319 hours remaining, 208.988281 MB of memory in use. ENERGY: 1431400 746.7180 2076.9912 1943.1999 118.2733 -206290.9142 17938.8502 0.0000 0.0000 34531.6449 -148935.2366 301.5734 -183466.8816 -148842.4477 300.3603 69.0008 100.4683 558251.1447 -6.5398 -6.3182 PRESSURE: 1431600 41.8152 -101.959 -14.88 -101.959 161.597 90.1628 -14.8797 90.1625 180.837 GPRESSURE: 1431600 54.3025 -79.0854 -27.6825 -175.493 208.992 188.503 -86.9825 -32.8814 204.112 PRESSAVG: 1431600 45.9526 -44.7467 36.1724 -44.7467 28.2247 -19.1129 36.1724 -19.1128 -64.69 GPRESSAVG: 1431600 45.3997 -44.7325 35.823 -45.0848 27.8683 -18.4562 33.3798 -19.8587 -63.6934 TIMING: 1431600 CPU: 4310.44, 0.0030669/step Wall: 4310.44, 0.0030669/step, 3.03998 hours remaining, 208.988281 MB of memory in use. ENERGY: 1431600 732.9791 2156.2045 1939.5683 106.1411 -206120.8740 17959.5774 0.0000 0.0000 34399.3148 -148827.0889 300.4178 -183226.4037 -148728.5738 300.5299 128.0833 155.8021 558859.9076 3.1624 3.1915 PRESSURE: 1431800 -74.7957 173.259 42.7926 173.259 -511.974 39.3931 42.7929 39.3924 -37.8726 GPRESSURE: 1431800 -32.8725 152.833 88.0657 188.863 -437.503 90.5387 6.90237 -1.15699 -53.4296 PRESSAVG: 1431800 -25.0029 -8.26812 -8.16043 -8.26814 23.8683 47.3824 -8.16039 47.3824 34.7999 GPRESSAVG: 1431800 -24.1612 -7.10993 -7.09246 -7.47275 24.1039 47.2179 -8.46919 48.9285 33.7608 TIMING: 1431800 CPU: 4311.06, 0.00308621/step Wall: 4311.06, 0.00308621/step, 3.05894 hours remaining, 208.988281 MB of memory in use. ENERGY: 1431800 740.7589 2089.4243 1957.2542 111.7023 -205619.3217 17436.8969 0.0000 0.0000 34441.8569 -148841.4283 300.7893 -183283.2852 -148750.7783 300.5527 -208.2140 -174.6015 559901.4562 11.2218 11.2345 PRESSURE: 1432000 -326.117 122.283 -80.5814 122.284 -235.239 -104.859 -80.582 -104.86 -9.9704 GPRESSURE: 1432000 -219.454 56.0995 -39.4843 188.283 -246.073 -86.2507 -98.7306 -146.874 -5.82158 PRESSAVG: 1432000 -32.7175 23.4894 42.3952 23.4894 -66.7239 -13.5913 42.3952 -13.5912 74.1747 GPRESSAVG: 1432000 -31.689 23.5105 41.8927 22.2119 -68.1412 -14.2742 44.0487 -11.187 74.5728 TIMING: 1432000 CPU: 4311.67, 0.00307029/step Wall: 4311.67, 0.00307029/step, 3.04299 hours remaining, 208.988281 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: 1432000 721.7446 2104.8554 1952.7555 109.7871 -205479.1143 17436.7159 0.0000 0.0000 34177.6787 -148975.5771 298.4822 -183153.2557 -148882.0220 300.0820 -190.4420 -157.1163 559423.0789 -8.4222 -8.4191 PRESSURE: 1432200 52.9683 -2.35226 22.4849 -2.35172 32.543 50.3289 22.4849 50.329 50.2999 GPRESSURE: 1432200 140.978 52.0735 -13.8041 -55.326 44.624 -35.5919 -25.4942 38.5984 44.2796 PRESSAVG: 1432200 31.6022 7.10926 28.3086 7.10935 28.9405 -40.6485 28.3086 -40.6486 -56.3313 GPRESSAVG: 1432200 30.0151 9.38517 29.2783 5.48363 30.2111 -39.2557 27.8099 -43.4186 -56.1003 TIMING: 1432200 CPU: 4312.29, 0.00308562/step Wall: 4312.29, 0.00308562/step, 3.05802 hours remaining, 208.988281 MB of memory in use. ENERGY: 1432200 760.8142 2043.8365 1936.8021 112.6722 -206035.0051 18035.2284 0.0000 0.0000 34342.7201 -148802.9317 299.9235 -183145.6518 -148705.3969 299.4367 45.2704 76.6273 559150.9684 1.4038 1.3753 LDB: ============= START OF LOAD BALANCING ============== 4315.81 LDB: ============== END OF LOAD BALANCING =============== 4315.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4315.81 LDB: ============= START OF LOAD BALANCING ============== 4316.12 LDB: Largest compute 4800 load 0.030714 is 26.0% of average load 0.117920 LDB: Average compute 0.001737 is 1.5% of average load 0.117920 LDB: TIME 4316.12 LOAD: AVG 0.11792 MAX 0.218448 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.82 MB LDB: TIME 4316.12 LOAD: AVG 0.11792 MAX 0.218448 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.891 MB LDB: TIME 4316.12 LOAD: AVG 0.11792 MAX 0.218448 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.891 MB LDB: ============== END OF LOAD BALANCING =============== 4316.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4316.13 PRESSURE: 1432400 -90.466 182.556 80.5027 182.556 166.008 296.503 80.5037 296.502 120.328 GPRESSURE: 1432400 -99.0714 190.864 115.807 267.21 177.894 305.196 97.384 289.388 204.325 PRESSAVG: 1432400 36.6415 39.9538 21.4822 39.9538 -24.9517 -27.4295 21.4822 -27.4295 -4.06159 GPRESSAVG: 1432400 38.1356 39.179 19.7674 41.1208 -25.6369 -28.3074 23.4714 -28.0771 -5.05877 TIMING: 1432400 CPU: 4312.91, 0.00311225/step Wall: 4312.91, 0.00311225/step, 3.08424 hours remaining, 207.816406 MB of memory in use. ENERGY: 1432400 761.9318 2076.3620 1935.9694 114.5149 -206045.1173 17953.0689 0.0000 0.0000 34201.2112 -149002.0590 298.6877 -183203.2702 -148905.0120 300.0681 65.2899 94.3826 557964.4773 2.5427 2.4800 PRESSURE: 1432600 26.5472 -95.6283 8.89517 -95.6295 -403.392 14.6635 8.89507 14.6652 -151.258 GPRESSURE: 1432600 20.2595 -172.267 -13.1834 -63.3705 -408.081 54.9956 -65.3661 4.98945 -47.1866 PRESSAVG: 1432600 -15.4663 -20.759 -25.6886 -20.759 11.4964 52.1253 -25.6886 52.1254 -47.8321 GPRESSAVG: 1432600 -16.145 -21.7152 -26.7076 -19.5229 11.844 52.2885 -25.2376 52.9309 -46.759 TIMING: 1432600 CPU: 4313.52, 0.00304978/step Wall: 4313.52, 0.00304978/step, 3.02216 hours remaining, 207.816406 MB of memory in use. ENERGY: 1432600 740.9688 2054.7950 1944.5238 108.2211 -205583.7529 17545.5125 0.0000 0.0000 34150.5332 -149039.1985 298.2451 -183189.7317 -148943.6376 299.4704 -176.0341 -145.0025 559187.1603 -17.2673 -17.0200 PRESSURE: 1432800 -104.754 79.4868 -41.1635 79.4882 1.05052 135.19 -41.1624 135.19 55.3654 GPRESSURE: 1432800 -1.42892 68.5158 -42.8427 73.6052 0.655201 117.773 -26.5207 154.251 50.4266 PRESSAVG: 1432800 -59.8303 28.4109 -21.6546 28.411 4.11394 7.82498 -21.6546 7.8249 11.6802 GPRESSAVG: 1432800 -59.0484 28.3931 -20.329 27.6337 3.68225 8.89511 -22.4809 6.97969 11.2023 TIMING: 1432800 CPU: 4314.13, 0.00303465/step Wall: 4314.13, 0.00303465/step, 3.007 hours remaining, 207.816406 MB of memory in use. ENERGY: 1432800 734.9613 2061.6448 1929.6373 118.1945 -205505.6347 17558.4211 0.0000 0.0000 34104.9500 -148997.8256 297.8470 -183102.7756 -148899.3870 299.4416 -16.1127 16.5510 558211.3191 -14.6787 -14.7213 PRESSURE: 1433000 -48.625 -42.5577 -66.1507 -42.556 11.9174 154.827 -66.1515 154.828 173.416 GPRESSURE: 1433000 -39.6091 -13.3195 -76.0643 -56.6307 119.368 133.804 -0.974955 135.673 164.729 PRESSAVG: 1433000 80.5047 33.3966 -33.5725 33.3966 -3.47319 21.5788 -33.5725 21.5788 -55.7679 GPRESSAVG: 1433000 79.3102 33.9031 -33.5792 32.8369 -3.05935 20.7316 -35.2957 24.5904 -54.4595 TIMING: 1433000 CPU: 4314.74, 0.00306253/step Wall: 4314.74, 0.00306253/step, 3.03446 hours remaining, 207.816406 MB of memory in use. ENERGY: 1433000 721.9530 2093.9190 1915.5167 112.8312 -206122.4244 17761.3040 0.0000 0.0000 34353.7515 -149163.1489 300.0199 -183516.9005 -149066.9513 299.2149 45.5696 81.4959 557402.6643 7.0879 7.2638 PRESSURE: 1433200 63.4851 -47.7947 90.957 -47.7959 142.009 15.4679 90.9576 15.4678 -314.856 GPRESSURE: 1433200 83.1335 -15.3576 76.9046 -45.1668 160.214 -48.7783 50.2844 96.631 -261.83 PRESSAVG: 1433200 72.7736 4.54086 32.0142 4.54089 -5.65916 76.2759 32.0143 76.2759 -23.3695 GPRESSAVG: 1433200 74.0457 3.86984 30.0843 6.04985 -6.10007 76.5399 35.0101 75.2516 -23.9866 TIMING: 1433200 CPU: 4315.35, 0.00306284/step Wall: 4315.35, 0.00306284/step, 3.0346 hours remaining, 207.816406 MB of memory in use. ENERGY: 1433200 770.4423 2026.7847 1950.0296 116.0021 -205966.1878 17796.1504 0.0000 0.0000 34219.3370 -149087.4417 298.8460 -183306.7787 -148994.1751 299.7499 -36.4541 -6.1608 558105.8599 14.5817 14.6530 PRESSURE: 1433400 -319.059 22.5307 -64.4252 22.5308 62.551 -111.155 -64.4242 -111.156 50.1213 GPRESSURE: 1433400 -267.281 43.6392 -88.986 98.9504 59.9792 -164.285 -111.114 -107.075 99.89 PRESSAVG: 1433400 49.2931 -1.50924 -48.4863 -1.50928 31.1738 7.57882 -48.4863 7.57885 -101.978 GPRESSAVG: 1433400 48.8959 -1.53372 -46.6983 -2.97482 32.3641 7.80185 -49.8163 8.22996 -102.056 TIMING: 1433400 CPU: 4315.96, 0.00305937/step Wall: 4315.96, 0.00305937/step, 3.03099 hours remaining, 207.816406 MB of memory in use. ENERGY: 1433400 731.1798 2020.2448 1952.0842 113.7393 -205953.7082 17793.7978 0.0000 0.0000 34151.0237 -149191.6386 298.2494 -183342.6623 -149093.6535 298.7864 -68.7956 -35.8040 558221.3910 -7.1704 -6.9320 PRESSURE: 1433600 157.43 -57.4432 3.15812 -57.4432 19.0759 -128.809 3.15882 -128.809 162.107 GPRESSURE: 1433600 153.018 12.3568 73.0614 -26.9071 62.331 -60.3078 -75.5456 -238.296 219.5 PRESSAVG: 1433600 53.9917 -1.95207 -26.7202 -1.95192 -6.51285 1.24247 -26.7201 1.24235 -23.5789 GPRESSAVG: 1433600 55.3694 -1.16695 -25.4512 -0.067013 -6.54423 1.31295 -29.1568 -0.518206 -24.3953 TIMING: 1433600 CPU: 4316.57, 0.003057/step Wall: 4316.57, 0.003057/step, 3.02846 hours remaining, 207.816406 MB of memory in use. ENERGY: 1433600 720.4924 2076.7454 1931.4130 125.9739 -206437.2058 18026.6822 0.0000 0.0000 34278.7575 -149277.1414 299.3649 -183555.8989 -149185.3489 299.5742 112.8710 144.9497 557040.3301 7.9667 8.1433 PRESSURE: 1433800 -264.706 -10.0717 87.3834 -10.0722 -93.2127 -42.3219 87.3837 -42.3214 31.0309 GPRESSURE: 1433800 -247.54 -124.8 96.641 -14.443 -68.9319 -72.4113 67.4244 -47.1459 79.2323 PRESSAVG: 1433800 51.8043 18.8595 -6.99251 18.8594 -44.1264 -32.6407 -6.99245 -32.6406 3.25462 GPRESSAVG: 1433800 50.7095 17.8169 -8.91185 17.2528 -43.0444 -32.9934 -4.94147 -34.272 3.83961 TIMING: 1433800 CPU: 4317.18, 0.00304581/step Wall: 4317.18, 0.00304581/step, 3.01721 hours remaining, 207.816406 MB of memory in use. ENERGY: 1433800 763.2222 2078.1544 1931.3968 112.8705 -206034.6752 17556.6109 0.0000 0.0000 34292.4138 -149300.0065 299.4842 -183592.4202 -149203.9223 298.3806 -108.9626 -79.0799 557693.7830 3.6442 3.8349 PRESSURE: 1434000 32.1649 -62.3546 -9.55481 -62.3537 -145.937 -37.3624 -9.55537 -37.3632 -171.217 GPRESSURE: 1434000 30.0186 -14.0183 -95.992 -89.117 -130.676 -12.5228 -34.306 -51.0313 -86.2674 PRESSAVG: 1434000 46.1257 -78.6486 27.4661 -78.6487 33.7899 -27.9602 27.466 -27.9601 -55.1842 GPRESSAVG: 1434000 47.0422 -78.9448 25.7106 -77.1716 32.3026 -28.0989 28.8726 -25.014 -54.8158 TIMING: 1434000 CPU: 4317.79, 0.00301936/step Wall: 4317.79, 0.00301936/step, 2.99085 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: 1434000 752.6363 2064.4599 1934.5897 115.4174 -206173.4965 17842.4477 0.0000 0.0000 34148.8968 -149315.0486 298.2308 -183463.9455 -149219.2192 299.0518 -94.9965 -62.3081 558600.8478 8.2438 8.1763 PRESSURE: 1434200 -417.402 -208.318 90.6147 -208.319 -127.834 -52.2394 90.6135 -52.2397 -177.091 GPRESSURE: 1434200 -343.537 -212.218 -50.7768 -202.684 -170.07 -49.0057 190.931 -54.706 -105.238 PRESSAVG: 1434200 -54.4239 -50.1377 -13.1688 -50.1376 -0.432317 -1.09453 -13.1687 -1.0945 7.51567 GPRESSAVG: 1434200 -55.7319 -50.4405 -11.6135 -50.0724 -0.45825 -1.41469 -13.9065 -2.94448 9.21824 TIMING: 1434200 CPU: 4318.4, 0.00304835/step Wall: 4318.4, 0.00304835/step, 3.01939 hours remaining, 207.816406 MB of memory in use. ENERGY: 1434200 752.5696 2056.1505 1927.2213 106.9849 -205847.7682 17647.2774 0.0000 0.0000 34120.5654 -149236.9991 297.9834 -183357.5646 -149136.4610 298.8904 -240.7756 -206.2818 559326.7361 -15.7802 -15.6573 PRESSURE: 1434400 201.494 -215.658 -14.4235 -215.66 -146.472 110.631 -14.4247 110.63 44.7246 GPRESSURE: 1434400 219.641 -255.52 34.1919 -210.772 -30.668 168.816 -163.582 13.0725 6.51745 PRESSAVG: 1434400 16.8649 -41.9166 3.88687 -41.9166 19.9015 -13.6258 3.88682 -13.6259 1.46412 GPRESSAVG: 1434400 16.9579 -41.9839 4.76952 -41.2864 21.0945 -12.4016 2.8206 -13.7524 -0.0972798 TIMING: 1434400 CPU: 4319.01, 0.00305049/step Wall: 4319.01, 0.00305049/step, 3.02134 hours remaining, 207.816406 MB of memory in use. ENERGY: 1434400 745.8786 2073.3547 1938.4491 122.6850 -206325.2616 17809.7104 0.0000 0.0000 34145.1733 -149490.0105 298.1983 -183635.1838 -149391.4726 299.4065 33.2491 65.1636 556794.2229 12.7435 12.6517 PRESSURE: 1434600 -206.178 35.2315 -96.5532 35.2326 67.328 -5.30611 -96.5531 -5.30564 -185.675 GPRESSURE: 1434600 -241.17 52.8136 -4.22346 -23.4223 71.6584 -10.6687 -13.162 32.7775 -52.4624 PRESSAVG: 1434600 -25.0621 -52.3797 13.5014 -52.3797 22.5904 39.1255 13.5014 39.1256 -12.1868 GPRESSAVG: 1434600 -24.5266 -52.0098 14.4438 -51.4799 21.0167 37.0396 14.493 41.6117 -10.8186 TIMING: 1434600 CPU: 4319.61, 0.00301932/step Wall: 4319.61, 0.00301932/step, 2.99031 hours remaining, 207.816406 MB of memory in use. ENERGY: 1434600 735.6365 2095.6986 1942.8857 121.9859 -206027.9179 17599.3323 0.0000 0.0000 34118.6022 -149413.7767 297.9662 -183532.3789 -149324.4721 298.4735 -108.1752 -73.9915 559188.8334 -4.8862 -4.7762 PRESSURE: 1434800 48.2013 184.166 204.413 184.166 -312.41 -91.4463 204.414 -91.4466 -302.036 GPRESSURE: 1434800 113.84 150.006 146.776 220.708 -290.43 -94.9691 285.906 -55.4025 -284.934 PRESSAVG: 1434800 14.5218 -14.1027 -28.5842 -14.1026 -15.5835 45.0407 -28.5842 45.0407 -58.4592 GPRESSAVG: 1434800 14.0075 -14.1113 -30.7372 -15.4883 -14.9434 46.4937 -28.0887 42.1161 -58.629 TIMING: 1434800 CPU: 4320.22, 0.00303629/step Wall: 4320.22, 0.00303629/step, 3.00694 hours remaining, 207.816406 MB of memory in use. ENERGY: 1434800 717.0421 2119.8727 1949.2779 107.9727 -206006.0227 17631.7174 0.0000 0.0000 34086.9939 -149393.1461 297.6902 -183480.1400 -149294.3578 298.7294 -188.7481 -153.8416 558743.2687 -19.8403 -19.8549 PRESSURE: 1435000 72.9683 -125.372 60.64 -125.372 36.118 -132.806 60.6404 -132.807 41.2102 GPRESSURE: 1435000 114.502 -191.696 70.7448 -127.139 56.624 -204.134 22.8932 -100.366 76.6445 PRESSAVG: 1435000 16.5698 -36.4624 19.6223 -36.4625 -7.84161 29.4789 19.6223 29.4789 21.0902 GPRESSAVG: 1435000 17.332 -35.7376 21.9839 -37.8148 -8.10961 29.864 17.9968 30.8477 20.7088 TIMING: 1435000 CPU: 4320.83, 0.00304072/step Wall: 4320.83, 0.00304072/step, 3.01116 hours remaining, 207.816406 MB of memory in use. ENERGY: 1435000 760.2101 2071.7786 1928.3125 122.1549 -206277.4251 18009.7330 0.0000 0.0000 34067.5252 -149317.7107 297.5202 -183385.2359 -149225.4250 298.6831 50.0988 82.5903 558440.5244 9.9394 9.9770 PRESSURE: 1435200 133.769 -17.0859 133.174 -17.0858 -81.3453 121.723 133.175 121.723 -296.402 GPRESSURE: 1435200 146.916 3.60344 86.7259 -16.1272 -41.1425 143.401 178.817 82.3516 -245.434 PRESSAVG: 1435200 75.8786 -12.2322 -14.2456 -12.2322 -8.49289 -30.1332 -14.2456 -30.1331 -27.5518 GPRESSAVG: 1435200 75.3109 -12.1224 -15.6043 -10.8889 -7.85009 -29.3683 -12.599 -30.4081 -27.0217 TIMING: 1435200 CPU: 4321.44, 0.00304737/step Wall: 4321.44, 0.00304737/step, 3.01758 hours remaining, 207.816406 MB of memory in use. ENERGY: 1435200 715.4081 2086.8844 1899.2377 112.4823 -206629.1233 17970.0199 0.0000 0.0000 34388.6229 -149456.4682 300.3244 -183845.0910 -149355.7321 298.6308 -81.3261 -46.5534 558178.8587 13.2780 13.4797 PRESSURE: 1435400 -40.6584 12.3083 70.4462 12.3077 73.7744 183.766 70.4463 183.766 3.48001 GPRESSURE: 1435400 -37.0884 55.1635 144.899 -51.5292 107.607 140.266 66.9365 223.666 62.4785 PRESSAVG: 1435400 0.880226 -35.2891 0.990899 -35.2891 -79.7892 43.1449 0.990835 43.1449 33.4022 GPRESSAVG: 1435400 2.72646 -32.6319 3.24304 -35.9524 -80.5222 44.3386 0.599378 41.4577 31.9703 TIMING: 1435400 CPU: 4322.05, 0.00304701/step Wall: 4322.05, 0.00304701/step, 3.01705 hours remaining, 207.816406 MB of memory in use. ENERGY: 1435400 704.6155 2092.8782 1915.8706 104.2190 -206403.1505 17906.8675 0.0000 0.0000 34136.2126 -149542.4871 298.1200 -183678.6997 -149451.5960 299.0922 12.1987 44.3325 559262.6019 -15.1689 -15.2751 PRESSURE: 1435600 54.4008 -56.0909 129.272 -56.0919 -125.923 -24.3801 129.272 -24.3805 -53.3344 GPRESSURE: 1435600 64.9189 -154.561 72.3824 -55.7998 -129.273 41.6378 169.554 26.5537 29.8126 PRESSAVG: 1435600 32.609 -34.0877 53.097 -34.0879 -61.7554 26.6876 53.097 26.6877 18.6843 GPRESSAVG: 1435600 31.7078 -37.726 49.8838 -32.6004 -61.8247 26.0341 53.6708 27.9048 20.0693 TIMING: 1435600 CPU: 4322.65, 0.00303481/step Wall: 4322.65, 0.00303481/step, 3.0048 hours remaining, 207.816406 MB of memory in use. ENERGY: 1435600 729.3240 2106.5371 1910.2633 115.2776 -206392.2735 17693.8093 0.0000 0.0000 34577.2820 -149259.7801 301.9720 -183837.0621 -149164.4582 299.4244 -41.6187 -11.5138 557496.6066 -3.4873 -3.3492 PRESSURE: 1435800 97.3995 -77.4493 16.3515 -77.4505 -237.305 -33.0465 16.3504 -33.0468 74.5719 GPRESSURE: 1435800 92.6495 -92.2348 87.8184 -154.325 -133.37 -21.4947 9.08933 66.8834 70.702 PRESSAVG: 1435800 38.8185 -6.55768 19.515 -6.55773 -39.1158 -15.9059 19.5149 -15.906 13.101 GPRESSAVG: 1435800 37.9454 -6.09488 21.2883 -7.52166 -37.5176 -16.3814 20.5488 -15.683 12.5705 TIMING: 1435800 CPU: 4323.26, 0.00305474/step Wall: 4323.26, 0.00305474/step, 3.02436 hours remaining, 207.816406 MB of memory in use. ENERGY: 1435800 722.3135 2031.7386 1908.5140 111.5870 -206027.8350 17909.4983 0.0000 0.0000 34177.6508 -149166.5329 298.4819 -183344.1836 -149074.5194 299.2070 -21.7779 9.9937 557913.2258 4.2679 4.3328 PRESSURE: 1436000 18.2274 163.758 -197.667 163.757 -163.441 93.2358 -197.667 93.2357 -57.9154 GPRESSURE: 1436000 71.5458 183.503 -102.573 109.83 -109.9 154.749 -166.78 23.8693 -73.0367 PRESSAVG: 1436000 92.4428 11.2447 24.9747 11.2447 -105.873 -19.3178 24.9746 -19.3179 -6.90914 GPRESSAVG: 1436000 92.5261 12.8713 24.7088 10.8697 -105.723 -21.0461 22.1705 -19.6093 -7.64085 TIMING: 1436000 CPU: 4323.87, 0.00304559/step Wall: 4323.87, 0.00304559/step, 3.01514 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: 1436000 757.4337 2001.8698 1899.5200 106.0847 -205824.1314 17672.0490 0.0000 0.0000 34143.1533 -149244.0209 298.1806 -183387.1742 -149142.8737 299.0271 -67.7095 -37.1303 558648.0668 -6.7799 -6.9458 PRESSURE: 1436200 -100.523 -113.801 -9.73137 -113.799 -330.945 49.4699 -9.73135 49.4674 -197.088 GPRESSURE: 1436200 -59.1241 -95.5415 7.92346 -81.4282 -268.197 81.4552 34.043 14.2886 -192.136 PRESSAVG: 1436200 21.764 -33.5013 -5.12606 -33.5014 -8.48768 -13.7998 -5.12603 -13.7998 18.1838 GPRESSAVG: 1436200 22.2363 -34.5723 -7.67907 -33.3982 -9.63982 -13.3578 -1.05648 -10.9876 18.7438 TIMING: 1436200 CPU: 4324.49, 0.00306387/step Wall: 4324.49, 0.00306387/step, 3.03306 hours remaining, 207.816406 MB of memory in use. ENERGY: 1436200 813.9898 2033.2647 1932.8583 117.7340 -205894.2362 17558.0058 0.0000 0.0000 34341.7555 -149096.6281 299.9151 -183438.3836 -148996.2775 299.4922 -209.5186 -173.1524 557395.6996 10.4867 10.4468 LDB: ============= START OF LOAD BALANCING ============== 4328.01 LDB: ============== END OF LOAD BALANCING =============== 4328.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4328.01 LDB: ============= START OF LOAD BALANCING ============== 4328.31 LDB: Largest compute 4800 load 0.028865 is 24.5% of average load 0.117861 LDB: Average compute 0.001735 is 1.5% of average load 0.117861 LDB: TIME 4328.32 LOAD: AVG 0.117861 MAX 0.218277 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.844 MB LDB: TIME 4328.32 LOAD: AVG 0.117861 MAX 0.218277 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.844 MB LDB: TIME 4328.32 LOAD: AVG 0.117861 MAX 0.218277 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.844 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4328.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4328.32 PRESSURE: 1436400 -157.159 -22.122 123.837 -22.1227 53.1663 131.81 123.837 131.809 -282.518 GPRESSURE: 1436400 -128.874 -35.5674 100.642 -51.8729 89.5814 136.951 112.569 147.449 -258.726 PRESSAVG: 1436400 37.2047 -42.7186 -71.3939 -42.7187 -44.7379 -35.0262 -71.394 -35.0261 4.03639 GPRESSAVG: 1436400 37.2765 -43.4155 -69.1121 -41.0822 -44.19 -33.627 -72.7263 -37.7622 3.50664 TIMING: 1436400 CPU: 4325.11, 0.0031064/step Wall: 4325.11, 0.0031064/step, 3.07499 hours remaining, 208.015625 MB of memory in use. ENERGY: 1436400 738.0667 2065.8343 1917.0540 117.4991 -205762.1045 17528.2750 0.0000 0.0000 34122.3303 -149273.0451 297.9988 -183395.3755 -149178.1006 299.9009 -128.8369 -99.3398 557582.1397 -1.1656 -1.1356 PRESSURE: 1436600 -97.1249 -57.6975 92.674 -57.6984 -243.334 -107.024 92.6741 -107.023 -3.51717 GPRESSURE: 1436600 -69.8543 37.0977 154.961 -32.0416 -147.199 -115.865 -8.62948 -59.9524 -29.8492 PRESSAVG: 1436600 -9.65672 48.9383 -48.4891 48.9383 -1.01125 -4.36227 -48.4892 -4.36229 40.2829 GPRESSAVG: 1436600 -9.60157 50.2842 -48.1903 47.2869 -0.96738 -2.4765 -49.8703 -4.86796 39.97 TIMING: 1436600 CPU: 4325.71, 0.00303858/step Wall: 4325.71, 0.00303858/step, 3.00769 hours remaining, 208.218750 MB of memory in use. ENERGY: 1436600 746.6581 2090.4600 1928.2239 120.9165 -205925.0827 17461.4523 0.0000 0.0000 34241.4847 -149335.8871 299.0394 -183577.3719 -149238.0417 299.0435 -114.6586 -82.3010 557280.7807 9.8716 9.8004 PRESSURE: 1436800 145.126 8.04868 -9.80088 8.04906 247.548 23.1768 -9.80006 23.1782 135.294 GPRESSURE: 1436800 241.471 59.6985 -43.8785 -18.7629 246.301 28.9546 97.1648 -33.8872 135.782 PRESSAVG: 1436800 1.00803 -23.8625 7.05402 -23.8625 33.7753 -4.72106 7.05399 -4.72102 -23.8001 GPRESSAVG: 1436800 1.37544 -25.6731 4.17292 -21.3618 33.2704 -7.17266 9.71721 -3.05227 -23.6807 TIMING: 1436800 CPU: 4326.32, 0.00301629/step Wall: 4326.32, 0.00301629/step, 2.98546 hours remaining, 208.218750 MB of memory in use. ENERGY: 1436800 745.8934 2051.8308 1916.1264 118.5089 -206731.8196 18079.1253 0.0000 0.0000 34404.6402 -149415.6946 300.4643 -183820.3348 -149323.0783 299.1127 175.9890 207.8512 555051.4532 3.6611 3.6550 PRESSURE: 1437000 85.4953 -35.3744 -40.5624 -35.3744 -72.3504 98.5076 -40.5623 98.5079 -37.5532 GPRESSURE: 1437000 129.276 11.358 -64.183 -39.9066 -67.3534 114.151 -59.0266 90.5709 8.36577 PRESSAVG: 1437000 -79.4378 10.695 20.6985 10.695 1.67555 29.9364 20.6985 29.9363 79.3509 GPRESSAVG: 1437000 -79.4908 11.4293 23.2215 8.68809 1.44952 30.6829 18.2182 29.4862 79.7278 TIMING: 1437000 CPU: 4326.92, 0.00303/step Wall: 4326.92, 0.00303/step, 2.99886 hours remaining, 208.218750 MB of memory in use. ENERGY: 1437000 733.0422 2082.4065 1929.6771 122.1951 -205904.8745 17686.2597 0.0000 0.0000 34033.5641 -149317.7298 297.2236 -183351.2940 -149218.8762 299.2035 -8.1361 23.4296 555786.9719 0.5296 0.5622 PRESSURE: 1437200 -189.408 146.281 61.7015 146.281 -166.35 53.0673 61.7026 53.0661 318.553 GPRESSURE: 1437200 -74.963 117.923 52.5566 102.053 -115.232 -16.6974 84.5487 107.639 251.517 PRESSAVG: 1437200 5.55418 36.0914 -11.0528 36.0915 -36.2595 -15.19 -11.0527 -15.1901 3.76031 GPRESSAVG: 1437200 5.56529 36.5456 -11.8505 35.8665 -36.4601 -13.588 -8.75484 -14.9686 3.41282 TIMING: 1437200 CPU: 4327.53, 0.00302953/step Wall: 4327.53, 0.00302953/step, 2.99823 hours remaining, 208.218750 MB of memory in use. ENERGY: 1437200 731.1478 2133.2412 1917.7074 123.6806 -206297.3236 17763.1377 0.0000 0.0000 34360.6854 -149267.7235 300.0804 -183628.4089 -149171.5125 299.3487 -12.4016 20.4406 556691.9413 -8.9817 -9.1607 PRESSURE: 1437400 30.0882 -51.3219 127.876 -51.3212 16.8278 178.253 127.876 178.253 217.801 GPRESSURE: 1437400 15.1968 -141.545 225.887 -72.1783 37.9913 89.1921 41.9058 109.186 297.519 PRESSAVG: 1437400 -12.8295 -0.185171 56.3736 -0.185247 -15.5752 3.02142 56.3735 3.02148 -2.34959 GPRESSAVG: 1437400 -14.1513 -1.6744 58.1013 -1.09229 -15.443 2.56817 52.7136 1.78543 -1.26734 TIMING: 1437400 CPU: 4328.13, 0.0030182/step Wall: 4328.13, 0.0030182/step, 2.98684 hours remaining, 208.218750 MB of memory in use. ENERGY: 1437400 720.9463 2109.5399 1951.2699 106.5202 -206335.1259 17873.3840 0.0000 0.0000 34340.1637 -149233.3020 299.9012 -183573.4657 -149138.0133 299.0567 88.2389 116.9023 557534.0948 -10.2514 -10.2872 PRESSURE: 1437600 40.1241 -25.3096 -23.9336 -25.3098 42.5231 133.912 -23.9342 133.912 16.8125 GPRESSURE: 1437600 70.6652 54.8439 -15.222 -55.8511 73.3498 94.7655 14.3348 161.455 58.1106 PRESSAVG: 1437600 -52.8088 6.61421 79.1704 6.61424 35.6885 -27.3889 79.1703 -27.389 33.8781 GPRESSAVG: 1437600 -53.1081 9.36088 78.5027 6.73132 35.6618 -28.3841 82.3009 -26.2179 33.7912 TIMING: 1437600 CPU: 4328.74, 0.00301618/step Wall: 4328.74, 0.00301618/step, 2.98467 hours remaining, 208.218750 MB of memory in use. ENERGY: 1437600 737.9719 2086.4058 1923.4212 108.6223 -206204.9231 17873.2757 0.0000 0.0000 34349.6270 -149125.5992 299.9838 -183475.2263 -149025.1971 299.3791 33.1533 67.3752 557129.6130 5.5859 5.4483 PRESSURE: 1437800 19.9861 3.60933 -0.949618 3.60983 -238.863 18.4109 -0.95047 18.4122 -204.326 GPRESSURE: 1437800 21.6993 4.00145 -32.5318 73.6506 -245.714 11.7942 20.8918 34.6095 -117.109 PRESSAVG: 1437800 -94.2326 -35.0611 11.8658 -35.0611 11.3081 6.34872 11.8658 6.3488 23.6141 GPRESSAVG: 1437800 -93.1987 -36.9701 13.0817 -33.8094 10.5346 5.77937 9.90646 6.38673 22.6053 TIMING: 1437800 CPU: 4329.34, 0.00301641/step Wall: 4329.34, 0.00301642/step, 2.98474 hours remaining, 208.218750 MB of memory in use. ENERGY: 1437800 754.1527 2157.3440 1924.5808 110.0260 -206138.5398 17679.2297 0.0000 0.0000 34475.8380 -149037.3687 301.0861 -183513.2067 -148941.6562 299.8032 -141.0677 -113.7077 557914.6916 -19.7702 -20.0196 PRESSURE: 1438000 -145.555 76.5869 -128.349 76.5856 -139.954 51.5718 -128.35 51.5733 66.6175 GPRESSURE: 1438000 -119.816 73.225 -99.766 99.1874 -99.8329 56.3511 -103.104 27.0609 94.8235 PRESSAVG: 1438000 38.9767 -7.07544 -12.6898 -7.07548 -50.9153 3.11425 -12.6899 3.11426 -33.9954 GPRESSAVG: 1438000 39.4042 -7.67237 -13.3578 -7.37443 -51.2439 3.52001 -11.9704 2.85913 -34.4649 TIMING: 1438000 CPU: 4329.95, 0.00303464/step Wall: 4329.95, 0.00303464/step, 3.0026 hours remaining, 208.218750 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: 1438000 757.8556 2108.4877 1922.1905 104.0104 -206120.0335 17720.0340 0.0000 0.0000 34459.3428 -149048.1124 300.9420 -183507.4552 -148944.0967 300.2192 -72.9637 -41.6084 557751.4713 -15.3113 -15.4349 PRESSURE: 1438200 -207.543 -57.5221 -17.9162 -57.522 -37.0825 16.715 -17.9155 16.7154 -127.914 GPRESSURE: 1438200 -177.625 -53.8049 -72.9204 -84.8556 -45.9409 43.9095 29.5772 11.7914 -56.633 PRESSAVG: 1438200 25.1101 5.25444 35.4489 5.25439 -12.8076 10.2509 35.4489 10.2508 -7.27603 GPRESSAVG: 1438200 25.0359 6.41228 34.6245 6.74967 -12.7231 11.1362 35.6799 10.0417 -7.1847 TIMING: 1438200 CPU: 4330.55, 0.00303971/step Wall: 4330.55, 0.00303971/step, 3.00746 hours remaining, 208.218750 MB of memory in use. ENERGY: 1438200 763.2024 2112.7902 1937.7629 107.3997 -205831.9363 17687.3164 0.0000 0.0000 34213.1604 -149010.3043 298.7920 -183223.4646 -148906.0786 300.2895 -124.1800 -93.3995 558778.8654 1.6755 1.7094 PRESSURE: 1438400 33.8876 -87.3489 -106.943 -87.3481 130.031 -9.82486 -106.943 -9.82355 -243.066 GPRESSURE: 1438400 81.1655 -28.0381 -148.136 -82.5351 154.332 -0.843319 -86.8876 -64.204 -210.377 PRESSAVG: 1438400 5.78368 -19.0874 -14.7065 -19.0875 1.63323 -30.6862 -14.7065 -30.6862 2.9976 GPRESSAVG: 1438400 5.16745 -19.2376 -14.113 -20.0099 2.36127 -28.1919 -14.7012 -32.0958 3.02468 TIMING: 1438400 CPU: 4331.17, 0.0030739/step Wall: 4331.17, 0.0030739/step, 3.04111 hours remaining, 208.343750 MB of memory in use. ENERGY: 1438400 703.7114 2111.5763 1919.4801 113.4265 -205877.5588 17706.6396 0.0000 0.0000 34259.6363 -149063.0886 299.1979 -183322.7249 -148968.6854 299.8607 -26.3826 8.3737 557695.9175 3.4715 3.5178 PRESSURE: 1438600 -249.909 115.111 229.7 115.112 -352.193 92.8387 229.701 92.8406 -222.955 GPRESSURE: 1438600 -179.661 133.029 262.569 82.0575 -362.022 150.885 158.183 6.26926 -185.941 PRESSAVG: 1438600 -27.5385 -36.9725 -24.4569 -36.9726 8.39064 -20.8817 -24.457 -20.8816 39.8852 GPRESSAVG: 1438600 -26.859 -37.2316 -24.0954 -36.9501 8.91526 -22.3105 -24.3277 -20.3172 38.7139 TIMING: 1438600 CPU: 4331.79, 0.00307884/step Wall: 4331.79, 0.00307884/step, 3.04583 hours remaining, 208.343750 MB of memory in use. ENERGY: 1438600 755.5825 2039.3251 1921.5107 112.6279 -205576.3071 17404.8717 0.0000 0.0000 34380.5493 -148961.8398 300.2539 -183342.3891 -148856.1151 299.8108 -275.0190 -242.5414 560528.4397 6.9125 6.9234 PRESSURE: 1438800 -151.084 245.665 -33.8056 245.665 183.418 -5.5816 -33.8061 -5.58109 118.116 GPRESSURE: 1438800 -105.661 263.101 -73.6327 168.91 194.998 -70.1213 -43.8511 84.1231 163.388 PRESSAVG: 1438800 53.7229 17.6093 -3.8209 17.6093 -21.7483 -13.9361 -3.82084 -13.9359 0.574243 GPRESSAVG: 1438800 53.4239 18.1084 -4.48106 17.8742 -22.8335 -15.9155 -3.42519 -13.3611 2.03504 TIMING: 1438800 CPU: 4332.4, 0.00308004/step Wall: 4332.4, 0.00308004/step, 3.04685 hours remaining, 208.343750 MB of memory in use. ENERGY: 1438800 724.2072 2075.0676 1898.1780 120.7065 -206003.0116 17857.7124 0.0000 0.0000 34359.7201 -148967.4199 300.0720 -183327.1400 -148875.4802 299.8938 50.1501 84.2418 557387.0742 10.8496 10.8751 PRESSURE: 1439000 -94.9938 -3.10899 47.3553 -3.10992 94.9671 -15.8461 47.3557 -15.8449 99.5517 GPRESSURE: 1439000 -30.281 27.5939 86.0838 14.0996 90.3762 35.4585 26.4429 -67.3071 143.614 PRESSAVG: 1439000 -42.4449 -25.6031 -24.9141 -25.6032 -13.837 17.3494 -24.914 17.3493 101.552 GPRESSAVG: 1439000 -42.6012 -24.4032 -23.1478 -26.8494 -13.1099 17.3928 -26.3003 17.5098 101.386 TIMING: 1439000 CPU: 4333.01, 0.00303267/step Wall: 4333.01, 0.00303267/step, 2.99982 hours remaining, 208.343750 MB of memory in use. ENERGY: 1439000 806.0375 2102.9365 1941.5427 112.0879 -206158.4390 18036.6452 0.0000 0.0000 34262.8542 -148896.3349 299.2260 -183159.1892 -148804.9073 298.9808 33.1750 67.9031 557186.3007 15.0899 15.2250 PRESSURE: 1439200 -106.173 32.0741 -0.816619 32.0735 -10.5469 24.9248 -0.817994 24.9246 -109.338 GPRESSURE: 1439200 -99.7531 -6.55376 -53.8925 41.8573 82.4406 -31.5085 88.6558 36.2505 -110.366 PRESSAVG: 1439200 19.5521 24.8081 0.86505 24.808 -74.0163 51.4244 0.865095 51.4243 27.7746 GPRESSAVG: 1439200 21.0469 24.0063 0.558173 25.0247 -74.9743 52.0799 2.20633 50.626 27.4968 TIMING: 1439200 CPU: 4333.61, 0.00302395/step Wall: 4333.61, 0.00302395/step, 2.99102 hours remaining, 208.343750 MB of memory in use. ENERGY: 1439200 737.2313 2091.6607 1934.4600 117.2542 -206206.3720 17697.3287 0.0000 0.0000 34640.7433 -148987.6938 302.5262 -183628.4371 -148889.5432 300.1519 -75.3526 -42.5593 558123.3161 -8.8965 -8.8102 PRESSURE: 1439400 -156.023 -42.328 82.2766 -42.3282 -146.669 -62.3903 82.2756 -62.3902 -187.11 GPRESSURE: 1439400 -161.822 -34.6158 40.1765 -86.6631 -73.5808 -57.4379 112.433 -34.2842 -150.596 PRESSAVG: 1439400 -10.6152 32.1636 -56.6388 32.1635 -32.3832 -28.8239 -56.6388 -28.824 43.0595 GPRESSAVG: 1439400 -11.6734 30.4225 -57.0571 32.7523 -32.3695 -30.1091 -57.8065 -29.6807 44.2516 TIMING: 1439400 CPU: 4334.23, 0.00306514/step Wall: 4334.23, 0.00306514/step, 3.0316 hours remaining, 208.343750 MB of memory in use. ENERGY: 1439400 735.2222 2129.8135 1907.0610 113.6652 -205916.5577 17741.0342 0.0000 0.0000 34408.1258 -148881.6358 300.4947 -183289.7616 -148791.6688 300.5362 -163.2672 -128.6663 559106.9517 0.0203 0.0696 PRESSURE: 1439600 51.2768 -125.893 161.689 -125.893 -110.226 88.2474 161.69 88.2481 148.289 GPRESSURE: 1439600 100.698 -181.359 54.6112 -73.8695 -65.3966 -9.5276 217.642 67.6789 148.192 PRESSAVG: 1439600 -31.1443 -44.678 -0.790986 -44.6781 26.3791 22.0328 -0.790994 22.0328 8.9634 GPRESSAVG: 1439600 -30.4947 -44.4644 -1.93215 -44.4379 25.3556 23.0538 0.771286 21.8035 9.17787 TIMING: 1439600 CPU: 4334.84, 0.00306034/step Wall: 4334.84, 0.00306034/step, 3.02668 hours remaining, 208.343750 MB of memory in use. ENERGY: 1439600 737.6371 2093.4639 1951.1616 129.1873 -205913.4365 17747.5173 0.0000 0.0000 34427.9461 -148826.5231 300.6678 -183254.4692 -148730.6908 300.3086 29.7800 61.1645 558999.5169 1.3994 1.3463 PRESSURE: 1439800 116.266 181.478 17.845 181.479 23.8909 -11.5178 17.8449 -11.5162 116.441 GPRESSURE: 1439800 168.017 123.21 90.539 164.486 69.6177 -45.9498 -35.9345 59.4179 119.691 PRESSAVG: 1439800 114.459 -18.033 -16.9998 -18.033 -14.1146 -9.27145 -16.9998 -9.27136 -48.3758 GPRESSAVG: 1439800 113.49 -17.3444 -17.5649 -19.6313 -13.7413 -11.2724 -16.8545 -8.23618 -48.5856 TIMING: 1439800 CPU: 4335.45, 0.00305976/step Wall: 4335.45, 0.00305976/step, 3.02593 hours remaining, 208.343750 MB of memory in use. ENERGY: 1439800 759.0323 2097.2883 1921.8964 107.6212 -206225.9707 17880.3056 0.0000 0.0000 34421.2462 -149038.5805 300.6093 -183459.8268 -148947.0783 300.1781 85.5327 119.1085 557421.3385 17.3229 17.0544 PRESSURE: 1440000 -14.9978 58.7422 -29.3367 58.7441 11.2407 -175.247 -29.3365 -175.247 57.5783 GPRESSURE: 1440000 73.3882 42.5136 -53.3521 50.96 24.2831 -205.341 -25.9176 -99.768 58.9167 PRESSAVG: 1440000 30.8241 24.9135 -31.6118 24.9135 42.9939 -9.14467 -31.6118 -9.14462 -60.3444 GPRESSAVG: 1440000 32.0405 26.1405 -30.0445 25.7773 43.3083 -7.21925 -33.3945 -7.87612 -61.7142 TIMING: 1440000 CPU: 4336.06, 0.00304519/step Wall: 4336.06, 0.00304519/step, 3.01135 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: 1440000 755.9708 2061.9145 1932.1193 109.2218 -206395.7608 17991.3071 0.0000 0.0000 34238.1364 -149307.0909 299.0102 -183545.2273 -149207.2446 299.3184 17.9404 52.1960 557650.2378 4.4912 4.5449 PRESSURE: 1440200 -2.73996 59.5489 -153.702 59.5489 -49.1801 16.7538 -153.703 16.7534 111.297 GPRESSURE: 1440200 4.3828 144.272 -210.41 47.5573 48.5588 71.8793 -124.956 -68.3648 95.886 PRESSAVG: 1440200 -8.82513 26.6373 -25.6507 26.6373 78.6109 -11.713 -25.6507 -11.713 -76.3128 GPRESSAVG: 1440200 -9.89954 26.8928 -26.6388 28.4807 79.5624 -11.9466 -23.8857 -13.4581 -76.426 TIMING: 1440200 CPU: 4336.66, 0.00302326/step Wall: 4336.66, 0.00302326/step, 2.9895 hours remaining, 208.343750 MB of memory in use. ENERGY: 1440200 760.3108 2069.9819 1956.3714 98.5241 -206293.1125 17825.9873 0.0000 0.0000 34236.5287 -149345.4084 298.9961 -183581.9371 -149250.6676 299.1583 19.7922 49.6092 558096.8779 -2.1757 -2.2544 LDB: ============= START OF LOAD BALANCING ============== 4340.18 LDB: ============== END OF LOAD BALANCING =============== 4340.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4340.18 LDB: ============= START OF LOAD BALANCING ============== 4340.48 LDB: Largest compute 4800 load 0.029999 is 25.4% of average load 0.117903 LDB: Average compute 0.001734 is 1.5% of average load 0.117903 LDB: TIME 4340.48 LOAD: AVG 0.117903 MAX 0.213188 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.043 MB LDB: TIME 4340.48 LOAD: AVG 0.117903 MAX 0.213188 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: TIME 4340.48 LOAD: AVG 0.117903 MAX 0.213188 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4340.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4340.49 PRESSURE: 1440400 160.391 66.2199 149.133 66.2205 -209.781 8.83114 149.133 8.82991 15.7545 GPRESSURE: 1440400 152.233 74.1289 181.389 100.926 -167.192 32.3265 106.945 -27.4964 66.9835 PRESSAVG: 1440400 -6.33832 26.1031 -31.9394 26.1031 30.7029 30.2593 -31.9395 30.2593 -4.09494 GPRESSAVG: 1440400 -5.74233 24.6852 -29.9965 27.8706 29.1798 29.3123 -32.2146 31.1676 -3.16309 TIMING: 1440400 CPU: 4337.27, 0.00304778/step Wall: 4337.27, 0.00304778/step, 3.01357 hours remaining, 208.015625 MB of memory in use. ENERGY: 1440400 758.6272 2048.8415 1951.4104 124.2457 -206242.8038 17783.2433 0.0000 0.0000 34376.8014 -149199.6343 300.2212 -183576.4357 -149098.4844 299.4154 -11.2119 17.3416 556766.3719 6.7565 6.7581 PRESSURE: 1440600 118.49 98.8256 -12.7006 98.8247 76.9839 124.056 -12.6991 124.056 193.787 GPRESSURE: 1440600 104.828 56.4977 -19.9207 93.1802 129.747 116.232 -19.8966 116.18 252.218 PRESSAVG: 1440600 -38.6019 28.8005 9.20266 28.8006 -90.142 32.7435 9.20264 32.7434 71.3465 GPRESSAVG: 1440600 -38.9738 30.333 8.52006 25.6811 -89.5239 34.5301 8.8409 32.2378 70.8193 TIMING: 1440600 CPU: 4337.87, 0.00298248/step Wall: 4337.87, 0.00298248/step, 2.94885 hours remaining, 208.015625 MB of memory in use. ENERGY: 1440600 729.7268 2075.0488 1943.7718 98.5670 -206413.3477 18084.8992 0.0000 0.0000 34184.1913 -149297.1428 298.5390 -183481.3341 -149196.9657 299.1144 129.7535 162.2641 558612.5545 -19.1325 -19.2262 PRESSURE: 1440800 -24.216 3.10857 64.6402 3.10809 -192.283 28.158 64.6393 28.158 45.8336 GPRESSURE: 1440800 -10.1395 16.4184 22.7885 -61.1511 -139.832 -31.3238 145.568 47.7906 67.1488 PRESSAVG: 1440800 -6.38062 12.2005 0.864894 12.2004 -31.7246 19.5082 0.864844 19.5082 42.9852 GPRESSAVG: 1440800 -6.91766 9.12369 1.71868 13.6914 -32.8017 19.0468 0.252529 19.7874 44.5847 TIMING: 1440800 CPU: 4338.46, 0.00296592/step Wall: 4338.46, 0.00296592/step, 2.93231 hours remaining, 208.015625 MB of memory in use. ENERGY: 1440800 741.6512 2124.0904 1927.3065 106.4708 -206174.8410 17865.4168 0.0000 0.0000 34119.2865 -149290.6188 297.9722 -183409.9053 -149192.0160 299.1834 -56.8885 -27.6075 558643.8410 1.6267 1.6218 PRESSURE: 1441000 -9.08198 -19.6853 243.734 -19.6851 146.557 35.2627 243.736 35.2617 -249.261 GPRESSURE: 1441000 -44.3263 -92.0564 180.408 44.5684 241.004 98.845 260.62 -12.8977 -209.04 PRESSAVG: 1441000 18.3058 11.8944 -35.0423 11.8944 23.8415 -21.3763 -35.0423 -21.3763 -20.4552 GPRESSAVG: 1441000 17.8133 13.4574 -37.9687 11.15 25.7472 -19.1478 -33.4893 -20.9319 -22.1671 TIMING: 1441000 CPU: 4339.07, 0.00302048/step Wall: 4339.07, 0.00302048/step, 2.98608 hours remaining, 208.015625 MB of memory in use. ENERGY: 1441000 751.5363 2162.2395 1958.9521 114.2109 -206369.8565 17815.7177 0.0000 0.0000 34428.2060 -149138.9941 300.6701 -183567.2001 -149043.7924 299.2961 -37.2618 -4.1206 557219.6713 7.2307 7.1312 PRESSURE: 1441200 -533.295 90.8497 7.74021 90.8515 -174.61 101.545 7.74077 101.546 -160.222 GPRESSURE: 1441200 -514.741 109.424 21.7019 15.6306 -97.1397 87.28 -95.1766 125.6 -169.691 PRESSAVG: 1441200 3.12127 0.407784 -22.6829 0.407809 51.0892 -1.67728 -22.683 -1.67736 -6.24211 GPRESSAVG: 1441200 3.85986 0.0790068 -21.7438 1.77578 50.3135 -3.04872 -23.007 -1.95417 -7.1099 TIMING: 1441200 CPU: 4339.67, 0.00302142/step Wall: 4339.67, 0.00302142/step, 2.98684 hours remaining, 208.015625 MB of memory in use. ENERGY: 1441200 748.8921 2134.3349 1920.7237 114.6312 -205814.4501 17338.5355 0.0000 0.0000 34389.9524 -149167.3803 300.3360 -183557.3326 -149069.9568 299.1184 -289.3756 -260.5240 557135.3525 15.9895 15.6878 PRESSURE: 1441400 82.6323 19.2899 -90.9042 19.2903 -163.84 -7.63143 -90.9037 -7.63169 -191.576 GPRESSURE: 1441400 48.9134 41.3151 -40.8979 19.6873 -79.4901 79.8904 4.16355 -74.318 -142.304 PRESSAVG: 1441400 -89.4632 6.73669 6.7575 6.73669 16.9898 5.38001 6.75763 5.38014 30.9539 GPRESSAVG: 1441400 -89.9953 8.12311 7.14808 6.01474 17.2226 5.82539 7.91849 4.90408 31.1104 TIMING: 1441400 CPU: 4340.27, 0.00301319/step Wall: 4340.27, 0.00301319/step, 2.97854 hours remaining, 208.015625 MB of memory in use. ENERGY: 1441400 712.9179 2101.5697 1973.6850 113.0440 -205857.4021 17477.6809 0.0000 0.0000 34212.0883 -149266.4162 298.7827 -183478.5045 -149174.5515 299.6175 -90.9280 -57.6268 556365.0376 -13.8398 -13.8874 PRESSURE: 1441600 115.433 -50.3168 -102.412 -50.3169 8.63293 6.70593 -102.41 6.70654 -36.2708 GPRESSURE: 1441600 185.727 -57.3953 -56.8423 -30.6967 40.9389 31.7885 -3.87557 26.3968 -48.0421 PRESSAVG: 1441600 14.5003 29.4637 -16.4568 29.4637 -9.81787 -14.8941 -16.4568 -14.8942 10.643 GPRESSAVG: 1441600 14.6285 27.7958 -17.0482 30.0329 -10.3515 -13.659 -17.4173 -13.598 11.3571 TIMING: 1441600 CPU: 4340.88, 0.00300799/step Wall: 4340.88, 0.00300799/step, 2.97323 hours remaining, 208.015625 MB of memory in use. ENERGY: 1441600 723.7299 2110.3580 1937.8319 104.9841 -206499.4050 17877.7194 0.0000 0.0000 34424.6685 -149320.1132 300.6392 -183744.7817 -149224.2933 299.5309 29.2651 59.5413 557221.7814 5.1085 5.2113 PRESSURE: 1441800 -64.1899 -4.34548 36.6515 -4.3462 -62.5835 -21.9995 36.6507 -22.0005 -12.3675 GPRESSURE: 1441800 -42.7893 -1.8585 82.4969 7.9293 -54.5998 -21.3975 -1.681 -37.9785 54.7885 PRESSAVG: 1441800 -23.8844 -60.5406 6.59336 -60.5406 -24.4856 67.7401 6.59323 67.7401 0.584451 GPRESSAVG: 1441800 -23.4331 -60.394 8.46316 -60.5137 -26.6444 66.3196 5.02481 66.028 1.44028 TIMING: 1441800 CPU: 4341.47, 0.00298568/step Wall: 4341.47, 0.00298568/step, 2.95101 hours remaining, 208.015625 MB of memory in use. ENERGY: 1441800 736.1694 2114.6192 1917.5447 110.6936 -206092.8240 17707.8134 0.0000 0.0000 34041.4164 -149464.5672 297.2922 -183505.9836 -149368.1596 298.7190 -46.3803 -14.2002 558530.7732 -15.9285 -16.2124 PRESSURE: 1442000 134.254 157.257 24.4681 157.259 19.626 -56.43 24.4691 -56.4292 115.61 GPRESSURE: 1442000 119.694 91.554 4.53272 117.45 91.0932 -106.465 -36.4514 -54.8862 147.78 PRESSAVG: 1442000 -33.5596 -2.43377 7.34356 -2.43374 27.9844 19.7212 7.34352 19.7213 34.7986 GPRESSAVG: 1442000 -34.5391 -1.36069 5.87133 -4.40325 29.2685 17.3964 8.39025 21.9529 34.1399 TIMING: 1442000 CPU: 4342.07, 0.00299106/step Wall: 4342.07, 0.00299106/step, 2.95616 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: 1442000 729.8595 2070.4499 1940.8949 93.3635 -206456.2676 17887.3674 0.0000 0.0000 34221.0250 -149513.3073 298.8607 -183734.3323 -149421.0534 298.3873 89.8303 119.5224 556640.9110 9.7411 9.6231 PRESSURE: 1442200 -3.9515 -176.804 -154.914 -176.803 5.30084 37.2659 -154.914 37.2678 -96.6803 GPRESSURE: 1442200 67.637 -107.315 -118.464 -138.329 21.4578 -5.54983 -79.73 162.876 -96.7812 PRESSAVG: 1442200 -7.26174 34.7765 1.42558 34.7765 -79.6572 10.2988 1.42556 10.2988 56.6051 GPRESSAVG: 1442200 -6.29798 35.8768 1.64757 35.4165 -79.3983 13.1897 0.505807 9.23586 55.0352 TIMING: 1442200 CPU: 4342.67, 0.00300175/step Wall: 4342.67, 0.00300175/step, 2.96656 hours remaining, 208.015625 MB of memory in use. ENERGY: 1442200 733.7940 2115.3516 1907.9704 109.3267 -206827.8515 17872.4718 0.0000 0.0000 34452.6121 -149636.3248 300.8832 -184088.9369 -149543.8738 298.0406 -31.7770 -2.5621 557115.3288 -10.1046 -10.2203 PRESSURE: 1442400 -187.832 -147.966 -21.1415 -147.967 -188.3 -41.5409 -21.1414 -41.5431 64.3799 GPRESSURE: 1442400 -198.877 -99.1612 5.70672 -190.282 -138.295 -66.8471 -113.641 -24.6461 121.723 PRESSAVG: 1442400 -47.5312 -12.0885 -19.1017 -12.0884 -10.5078 -39.9053 -19.1016 -39.9054 59.6263 GPRESSAVG: 1442400 -46.3638 -11.0791 -20.263 -11.5637 -10.8764 -41.0703 -18.9716 -39.8639 59.209 TIMING: 1442400 CPU: 4343.28, 0.00302389/step Wall: 4343.28, 0.00302389/step, 2.98827 hours remaining, 208.015625 MB of memory in use. ENERGY: 1442400 733.4063 2077.6975 1926.8027 118.6660 -206169.5573 17639.8554 0.0000 0.0000 34225.2456 -149447.8839 298.8976 -183673.1295 -149353.4713 298.6879 -103.9173 -71.8161 557905.3253 0.5291 0.6562 PRESSURE: 1442600 174.525 22.5069 288.909 22.507 -189.521 27.031 288.907 27.0311 50.3935 GPRESSURE: 1442600 197.833 73.7231 223.374 65.1766 -109.343 65.7786 374.736 -23.7529 57.3192 PRESSAVG: 1442600 -14.8599 44.3667 -31.8014 44.3667 -9.84346 49.9 -31.8015 49.9001 84.0403 GPRESSAVG: 1442600 -17.5304 43.7612 -31.8906 44.9581 -8.5342 50.3 -29.3244 50.7827 85.7537 TIMING: 1442600 CPU: 4343.88, 0.00302309/step Wall: 4343.88, 0.00302309/step, 2.98732 hours remaining, 208.015625 MB of memory in use. ENERGY: 1442600 791.5158 2146.1025 1894.6421 117.1159 -206697.4430 18062.5196 0.0000 0.0000 34208.9971 -149476.5500 298.7557 -183685.5471 -149383.1393 299.5099 11.7991 48.6030 557441.1924 19.7790 19.8964 PRESSURE: 1442800 209.929 -207.207 39.0333 -207.207 78.7405 -21.8514 39.0337 -21.8515 340.844 GPRESSURE: 1442800 227.909 -174.808 6.38553 -208.089 133.669 -16.3219 27.5911 6.57691 369.412 PRESSAVG: 1442800 -43.0573 -20.8473 -14.3151 -20.8473 36.1873 63.026 -14.3152 63.0258 -25.0986 GPRESSAVG: 1442800 -42.2637 -20.2542 -14.3228 -22.7303 36.6508 63.3884 -16.2686 62.4902 -25.9789 TIMING: 1442800 CPU: 4344.48, 0.00302043/step Wall: 4344.48, 0.00302043/step, 2.98452 hours remaining, 208.015625 MB of memory in use. ENERGY: 1442800 777.4057 2118.3898 1908.4036 108.0890 -206533.1443 18110.3504 0.0000 0.0000 34194.8077 -149315.6981 298.6318 -183510.5058 -149227.0992 298.8592 209.8379 243.6631 556772.6798 -10.6562 -10.5306 PRESSURE: 1443000 -33.6571 51.3324 -95.2799 51.3315 414.908 137.858 -95.2795 137.857 273.448 GPRESSURE: 1443000 22.0596 94.2973 -208.743 49.3679 468.933 145.848 -40.6045 90.1319 247.384 PRESSAVG: 1443000 2.19571 21.2862 -14.6447 21.2862 -17.0956 -19.7719 -14.6447 -19.7719 20.9049 GPRESSAVG: 1443000 2.30685 21.117 -14.1103 22.707 -17.663 -21.5081 -14.0115 -18.2807 20.8452 TIMING: 1443000 CPU: 4345.09, 0.00302108/step Wall: 4345.09, 0.00302108/step, 2.98499 hours remaining, 208.015625 MB of memory in use. ENERGY: 1443000 716.5603 2123.9294 1937.6022 126.4398 -206431.7909 17977.0947 0.0000 0.0000 33984.3613 -149565.8032 296.7939 -183550.1645 -149470.4690 297.9561 218.2331 246.1257 555121.6669 2.0016 1.8297 PRESSURE: 1443200 -110.578 59.9206 -180.691 59.9201 30.8503 235.99 -180.691 235.992 -3.10479 GPRESSURE: 1443200 -94.0996 70.7964 -114.423 114.971 62.6385 138.297 -167.716 246.527 55.5186 PRESSAVG: 1443200 -32.8433 13.6423 -7.70693 13.6424 61.9204 -16.6233 -7.70686 -16.6233 0.862695 GPRESSAVG: 1443200 -33.2663 12.7677 -7.81079 15.1478 62.8943 -13.1695 -7.49696 -19.9154 0.499164 TIMING: 1443200 CPU: 4345.7, 0.00303735/step Wall: 4345.7, 0.00303735/step, 3.0009 hours remaining, 208.015625 MB of memory in use. ENERGY: 1443200 770.8463 2067.8971 1937.8230 119.9559 -206659.0918 17856.4356 0.0000 0.0000 34587.2847 -149318.8492 302.0594 -183906.1339 -149226.2325 299.1163 -27.6109 8.0192 555761.1694 9.9799 10.0424 PRESSURE: 1443400 -201.284 -106.553 271.337 -106.553 -85.8429 5.32048 271.336 5.32104 -115.972 GPRESSURE: 1443400 -222.192 -125.194 269.357 -108.506 14.5813 66.3714 266.615 21.5744 -97.9918 PRESSAVG: 1443400 -48.4558 7.90174 -7.13137 7.90165 25.1243 -13.1175 -7.13146 -13.1175 -3.4924 GPRESSAVG: 1443400 -47.8685 7.4615 -6.77064 6.34061 23.522 -12.3761 -7.83224 -13.5048 -2.05999 TIMING: 1443400 CPU: 4346.31, 0.00304892/step Wall: 4346.31, 0.00304892/step, 3.01217 hours remaining, 208.015625 MB of memory in use. ENERGY: 1443400 740.0760 2087.0490 1936.0586 103.2659 -206109.3773 17678.0904 0.0000 0.0000 34204.9371 -149359.9003 298.7202 -183564.8374 -149267.5445 299.1843 -134.3660 -101.8676 557553.4010 -8.9413 -8.8021 PRESSURE: 1443600 -220.744 12.5127 -15.7974 12.513 -66.4772 -53.7022 -15.7978 -53.7026 -148.85 GPRESSURE: 1443600 -265.056 41.6358 33.4737 -29.9026 33.7999 125.469 41.7722 -148.739 -109.5 PRESSAVG: 1443600 -68.0278 30.9646 25.0861 30.9645 67.1419 -19.479 25.086 -19.4791 30.3559 GPRESSAVG: 1443600 -68.4829 30.0323 26.5668 30.8635 67.7048 -22.5199 25.7266 -16.7667 30.4551 TIMING: 1443600 CPU: 4346.91, 0.00304151/step Wall: 4346.91, 0.00304151/step, 3.00467 hours remaining, 208.015625 MB of memory in use. ENERGY: 1443600 727.8944 2129.5678 1937.2009 111.0384 -206112.7827 17529.8330 0.0000 0.0000 34327.4980 -149349.7502 299.7906 -183677.2483 -149251.6142 299.2598 -145.3573 -113.5854 558394.9001 9.8233 9.8924 PRESSURE: 1443800 220.693 -8.72795 -61.88 -8.72851 161.583 61.1009 -61.8806 61.0993 20.2167 GPRESSURE: 1443800 267.055 60.7988 -100.238 -151.617 190.429 23.7333 -128.92 133.118 47.7792 PRESSAVG: 1443800 -132.718 -20.8327 27.0581 -20.8327 54.9331 20.9191 27.0581 20.9192 50.4697 GPRESSAVG: 1443800 -132.115 -19.8295 27.1318 -19.7178 54.9516 23.4981 25.9819 17.6462 50.6592 TIMING: 1443800 CPU: 4347.52, 0.00303848/step Wall: 4347.52, 0.00303848/step, 3.00151 hours remaining, 208.015625 MB of memory in use. ENERGY: 1443800 764.7667 2102.8233 1952.5178 100.4841 -206723.3054 18242.3222 0.0000 0.0000 34174.3514 -149386.0400 298.4531 -183560.3914 -149291.9115 299.1491 134.1643 168.4210 558827.6508 -9.1051 -8.8347 PRESSURE: 1444000 1.8865 146.433 -57.3436 146.433 -10.6712 -151.106 -57.3433 -151.106 -32.8181 GPRESSURE: 1444000 1.25392 141.731 -94.3922 156.29 38.5019 -141.695 -102.429 -159.047 15.9859 PRESSAVG: 1444000 -54.4683 23.408 61.3666 23.408 4.95513 -17.0834 61.3666 -17.0834 65.6127 GPRESSAVG: 1444000 -54.6311 22.6155 60.9169 21.3952 5.34616 -20.8983 61.731 -14.9906 65.7013 TIMING: 1444000 CPU: 4348.13, 0.00303907/step Wall: 4348.13, 0.00303907/step, 3.00193 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: 1444000 761.7694 2099.5386 1970.6455 125.4810 -206433.2352 17825.0843 0.0000 0.0000 34182.4942 -149468.2222 298.5242 -183650.7164 -149375.8804 298.5016 -13.8676 18.5806 557205.1082 5.3665 5.4721 PRESSURE: 1444200 -204.612 8.02798 -186.653 8.02649 77.4557 -76.9892 -186.654 -76.9878 -69.8677 GPRESSURE: 1444200 -215.513 -42.845 -197.074 46.6724 126.695 -50.0163 -218.035 -132.575 -12.3514 PRESSAVG: 1444200 -22.7255 -14.2093 -22.0976 -14.2093 -32.6966 -42.0021 -22.0976 -42.0021 15.2367 GPRESSAVG: 1444200 -22.7753 -13.7675 -23.0296 -12.2998 -32.97 -40.2491 -21.5826 -42.5301 15.4466 TIMING: 1444200 CPU: 4348.74, 0.00304476/step Wall: 4348.74, 0.00304476/step, 3.00737 hours remaining, 208.015625 MB of memory in use. ENERGY: 1444200 739.7963 2126.1035 1948.0168 122.1196 -206403.2987 17749.8691 0.0000 0.0000 34064.5467 -149652.8466 297.4942 -183717.3934 -149553.5757 298.0112 -65.6747 -33.7230 558517.5355 -13.3952 -13.4329 LDB: ============= START OF LOAD BALANCING ============== 4352.26 LDB: ============== END OF LOAD BALANCING =============== 4352.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4352.26 LDB: ============= START OF LOAD BALANCING ============== 4352.57 LDB: Largest compute 4800 load 0.028876 is 24.5% of average load 0.117857 LDB: Average compute 0.001744 is 1.5% of average load 0.117857 LDB: TIME 4352.57 LOAD: AVG 0.117857 MAX 0.216394 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.273 MB LDB: TIME 4352.57 LOAD: AVG 0.117857 MAX 0.216394 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.273 MB LDB: TIME 4352.57 LOAD: AVG 0.117857 MAX 0.216394 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.273 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4352.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4352.58 PRESSURE: 1444400 95.9839 131.903 -113.101 131.905 -193.799 122.037 -113.1 122.039 82.5008 GPRESSURE: 1444400 155.405 89.0924 -104.854 139.312 -198.066 59.0657 -142.547 190.582 118.794 PRESSAVG: 1444400 -109.155 -18.5283 17.4637 -18.5283 62.1619 -26.9882 17.4636 -26.9882 82.1592 GPRESSAVG: 1444400 -109.445 -18.94 17.8989 -18.1682 62.6081 -26.8941 15.7155 -23.6368 82.7459 TIMING: 1444400 CPU: 4349.36, 0.00311895/step Wall: 4349.36, 0.00311895/step, 3.08049 hours remaining, 208.582031 MB of memory in use. ENERGY: 1444400 777.4735 2063.5728 1943.4726 108.0710 -206653.9631 17855.1800 0.0000 0.0000 34112.4965 -149793.6965 297.9129 -183906.1930 -149700.6915 297.6449 -5.1046 25.3777 557495.9047 11.7221 11.9696 PRESSURE: 1444600 -167.849 -90.8794 6.72563 -90.8796 -75.6958 -59.9634 6.72588 -59.9646 -28.8523 GPRESSURE: 1444600 -80.4712 -203.787 -10.8745 -57.1328 -101.919 -79.1494 -0.535072 -70.7132 21.0337 PRESSAVG: 1444600 33.8017 -25.7996 2.21995 -25.7995 -14.6466 -3.33404 2.22004 -3.33404 -40.4189 GPRESSAVG: 1444600 34.1216 -25.6051 0.878903 -25.9351 -14.4261 -2.5484 4.1436 -5.84594 -40.9255 TIMING: 1444600 CPU: 4349.97, 0.00305421/step Wall: 4349.97, 0.00305421/step, 3.01637 hours remaining, 208.652344 MB of memory in use. ENERGY: 1444600 730.1219 2095.6936 1921.4118 108.7916 -206517.7362 17725.9262 0.0000 0.0000 34180.1988 -149755.5923 298.5042 -183935.7911 -149657.9223 297.4281 -90.7989 -53.7855 557045.2425 -7.0879 -7.0767 PRESSURE: 1444800 -138.851 178.58 -121.745 178.581 130.888 -215.755 -121.744 -215.756 -45.0999 GPRESSURE: 1444800 -12.4999 225.615 -52.303 143.043 98.2873 -249.956 -144.661 -152.031 -22.9372 PRESSAVG: 1444800 -5.92365 7.74549 34.696 7.74542 27.8496 -66.4953 34.696 -66.4953 -15.0012 GPRESSAVG: 1444800 -5.32734 9.14823 33.9641 6.83034 27.1648 -67.3594 33.4459 -66.7718 -15.5489 TIMING: 1444800 CPU: 4350.58, 0.0030151/step Wall: 4350.58, 0.0030151/step, 2.97758 hours remaining, 208.855469 MB of memory in use. ENERGY: 1444800 723.4280 2024.7544 1927.1306 102.9095 -206210.9704 17715.7044 0.0000 0.0000 33952.8532 -149764.1903 296.5187 -183717.0435 -149662.9044 297.4151 -17.6876 20.9501 557281.5968 2.3083 2.0962 PRESSURE: 1445000 2.85761 110.739 81.6863 110.74 68.3558 -31.9095 81.6868 -31.9087 138.485 GPRESSURE: 1445000 107.438 100.641 107.268 149.267 59.2128 -4.71269 17.6578 -109.857 145.966 PRESSAVG: 1445000 6.56748 29.2466 2.39432 29.2466 39.1157 10.2013 2.39432 10.2012 -46.9533 GPRESSAVG: 1445000 7.04187 29.6872 3.99646 31.1673 37.9522 11.5107 1.59765 9.61938 -45.8806 TIMING: 1445000 CPU: 4351.18, 0.00301525/step Wall: 4351.18, 0.00301525/step, 2.97756 hours remaining, 208.855469 MB of memory in use. ENERGY: 1445000 737.6663 2107.7470 1942.7098 113.5502 -206488.4296 17949.0294 0.0000 0.0000 34051.5972 -149586.1296 297.3811 -183637.7268 -149486.7365 297.6704 69.8993 104.2057 556641.7125 -0.4234 -0.2955 PRESSURE: 1445200 173.884 3.97845 -30.7308 3.97838 87.4803 -2.79396 -30.7305 -2.7942 106.872 GPRESSURE: 1445200 150.888 37.4278 -92.8796 -117.207 151.152 -15.3019 14.806 18.3606 155.192 PRESSAVG: 1445200 -29.1458 -12.8305 -8.08796 -12.8306 59.5679 -37.9419 -8.08801 -37.942 -4.94561 GPRESSAVG: 1445200 -30.3494 -12.2312 -7.66008 -15.0387 61.8077 -38.1424 -7.27354 -35.7943 -5.65771 TIMING: 1445200 CPU: 4351.78, 0.00302077/step Wall: 4351.78, 0.00302077/step, 2.98284 hours remaining, 208.855469 MB of memory in use. ENERGY: 1445200 753.5334 2090.8022 1952.4863 112.7796 -206663.5397 18022.4537 0.0000 0.0000 34098.0501 -149633.4342 297.7868 -183731.4844 -149542.0549 298.3616 122.7456 152.4105 556938.0355 8.4922 8.6002 PRESSURE: 1445400 243.668 33.7539 30.9393 33.754 -54.7005 -106.354 30.9395 -106.354 21.0354 GPRESSURE: 1445400 295.452 52.9684 162.19 5.66202 -9.18102 -210.644 -110.566 -115.45 27.9229 PRESSAVG: 1445400 -51.2313 -9.87741 -2.09008 -9.87732 35.5497 3.98268 -2.09008 3.98275 3.27442 GPRESSAVG: 1445400 -49.9502 -12.8477 -4.6631 -8.46613 34.7019 3.01212 -2.37347 2.958 2.96032 TIMING: 1445400 CPU: 4352.39, 0.00301841/step Wall: 4352.39, 0.00301841/step, 2.98034 hours remaining, 208.855469 MB of memory in use. ENERGY: 1445400 723.0409 1999.1220 1958.8230 118.9191 -206468.1716 17905.5982 0.0000 0.0000 34259.3987 -149503.2697 299.1958 -183762.6684 -149407.7752 297.1208 70.0009 104.7314 555751.6888 -4.1357 -4.0960 PRESSURE: 1445600 105.818 -88.5811 -101.96 -88.5821 -4.14669 -110.801 -101.959 -110.803 58.5897 GPRESSURE: 1445600 171.124 -127.352 -54.0762 -23.6054 40.9559 -62.7283 -142.585 -20.8493 47.2768 PRESSAVG: 1445600 51.1366 28.0794 -73.7448 28.0793 -7.45224 27.8943 -73.7447 27.8943 -2.0738 GPRESSAVG: 1445600 51.2897 31.2569 -71.9008 27.2402 -7.63132 28.8723 -75.5893 27.9105 -2.02714 TIMING: 1445600 CPU: 4353, 0.0030562/step Wall: 4353, 0.0030562/step, 3.01748 hours remaining, 208.855469 MB of memory in use. ENERGY: 1445600 763.4394 2103.4356 1952.5725 108.7060 -206208.9446 17595.4114 0.0000 0.0000 34186.4883 -149498.8915 298.5591 -183685.3798 -149409.6468 298.8054 53.4205 86.4521 554391.7124 13.8702 13.8771 PRESSURE: 1445800 -153.642 -3.83611 -91.1422 -3.83546 -101.989 73.5745 -91.1411 73.5736 -142.429 GPRESSURE: 1445800 -134.195 31.1242 -46.258 25.9661 -40.0128 93.5466 -84.9889 46.7835 -122.632 PRESSAVG: 1445800 8.39999 21.7922 -40.1067 21.7922 -21.2865 43.164 -40.1068 43.1641 -1.33683 GPRESSAVG: 1445800 7.69103 20.6679 -40.9109 20.4306 -22.4969 43.3569 -37.2214 42.0168 -0.136686 TIMING: 1445800 CPU: 4353.61, 0.00304374/step Wall: 4353.61, 0.00304374/step, 3.00501 hours remaining, 208.855469 MB of memory in use. ENERGY: 1445800 724.7661 2035.8598 1911.6256 109.8591 -206174.7522 17636.8887 0.0000 0.0000 34232.0649 -149523.6881 298.9571 -183755.7529 -149428.6008 298.0482 -132.6864 -98.9467 556794.1431 -4.7411 -4.9808 PRESSURE: 1446000 64.9976 54.6469 -9.8847 54.6475 -75.5883 90.1814 -9.88492 90.1812 -148.287 GPRESSURE: 1446000 131.132 103.067 0.690104 -32.6285 -55.2814 114.939 0.167968 129.235 -141.337 PRESSAVG: 1446000 -88.5468 -24.082 21.6873 -24.0819 22.0102 -12.7718 21.6874 -12.7717 36.6922 GPRESSAVG: 1446000 -89.6576 -23.2151 20.4257 -22.2463 22.4503 -14.8697 21.4622 -10.4328 36.298 TIMING: 1446000 CPU: 4354.22, 0.00306027/step Wall: 4354.22, 0.00306027/step, 3.02117 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: 1446000 754.3984 2109.5514 1923.4148 107.1970 -206517.1762 17870.2376 0.0000 0.0000 34377.8683 -149374.5086 300.2305 -183752.3769 -149279.6091 298.9044 -52.9593 -21.8291 557387.8161 -9.9481 -10.3031 PRESSURE: 1446200 -307.747 1.40104 96.5215 1.40067 -122.027 -41.2158 96.5214 -41.2157 -7.41056 GPRESSURE: 1446200 -268.174 32.7461 103.669 30.8625 -97.5143 -23.0866 141.307 -52.9857 18.118 PRESSAVG: 1446200 -49.4449 -31.4887 -0.523854 -31.4887 53.0649 49.3467 -0.523817 49.3467 -24.8948 GPRESSAVG: 1446200 -48.7326 -29.0018 0.99848 -34.7043 53.0647 51.2121 -0.528187 48.0201 -25.7203 TIMING: 1446200 CPU: 4354.83, 0.00305952/step Wall: 4354.83, 0.00305952/step, 3.02025 hours remaining, 208.855469 MB of memory in use. ENERGY: 1446200 728.8925 2139.0434 1946.1541 95.2293 -206064.3892 17639.2485 0.0000 0.0000 34207.6158 -149308.2055 298.7436 -183515.8213 -149213.7402 299.2175 -145.7284 -115.8568 557870.5965 -7.0916 -7.1294 PRESSURE: 1446400 -155.489 36.0773 -109.787 36.0766 87.2589 134.21 -109.787 134.211 -50.3293 GPRESSURE: 1446400 -123.35 -8.18998 -71.0229 28.1853 113.057 142.364 -191.552 182.083 -14.1646 PRESSAVG: 1446400 -21.67 -30.9883 29.1335 -30.9884 21.5978 -11.9303 29.1335 -11.9303 10.7329 GPRESSAVG: 1446400 -21.9364 -34.0989 28.0587 -27.9894 21.7627 -10.7697 28.0597 -11.8037 10.9818 TIMING: 1446400 CPU: 4355.44, 0.00305927/step Wall: 4355.44, 0.00305927/step, 3.01984 hours remaining, 208.855469 MB of memory in use. ENERGY: 1446400 756.7954 2049.5752 1940.5724 114.3949 -206323.9513 17894.3839 0.0000 0.0000 34238.9565 -149329.2729 299.0173 -183568.2295 -149230.3821 299.7935 -39.5196 -8.1525 557351.9411 3.5536 3.6027 PRESSURE: 1446600 104.054 -8.7264 -146.553 -8.72545 -242.781 146.06 -146.554 146.06 59.8749 GPRESSURE: 1446600 94.908 -27.7155 -138.11 -38.2654 -173.643 189.583 -105.733 158.847 101.393 PRESSAVG: 1446600 7.18428 40.2739 -6.98941 40.2739 2.10956 63.45 -6.98935 63.4501 3.66381 GPRESSAVG: 1446600 7.20764 39.4836 -5.42904 39.7922 2.72166 62.404 -6.40015 64.2486 2.93905 TIMING: 1446600 CPU: 4356.05, 0.00304439/step Wall: 4356.05, 0.00304439/step, 3.00499 hours remaining, 208.855469 MB of memory in use. ENERGY: 1446600 740.7473 2066.7344 1930.1930 126.8778 -206463.5983 17844.3523 0.0000 0.0000 34278.4543 -149476.2391 299.3623 -183754.6934 -149385.8792 298.6376 -26.2842 7.5527 556188.2420 4.3192 4.2894 PRESSURE: 1446800 -479.463 156.347 -3.31449 156.347 -314.644 99.8775 -3.31496 99.8769 -302.191 GPRESSURE: 1446800 -452.726 30.9409 -47.0241 236.229 -269.971 96.3052 55.0115 50.2617 -275.455 PRESSAVG: 1446800 -28.2653 -30.0087 -56.9639 -30.0087 -5.68531 80.445 -56.9639 80.4449 28.3005 GPRESSAVG: 1446800 -28.2547 -30.0785 -58.8944 -30.2424 -6.48172 81.9763 -56.1842 78.3915 29.1992 TIMING: 1446800 CPU: 4356.66, 0.00305605/step Wall: 4356.66, 0.00305605/step, 3.01632 hours remaining, 208.855469 MB of memory in use. ENERGY: 1446800 811.4878 2047.1511 1938.4583 106.4890 -205988.2290 17468.4651 0.0000 0.0000 33968.6912 -149647.4865 296.6570 -183616.1778 -149550.0261 298.4716 -365.4327 -332.7174 559339.8415 -1.8834 -1.8457 PRESSURE: 1447000 212.324 -34.1607 -48.9752 -34.161 87.2831 -20.9684 -48.9749 -20.9682 -175.315 GPRESSURE: 1447000 251.709 35.4714 -94.9293 -68.3916 96.9584 -50.6924 -43.4025 2.56823 -125.942 PRESSAVG: 1447000 12.0299 -57.4586 -82.1168 -57.4586 -4.06063 -45.7063 -82.1168 -45.7064 -19.5655 GPRESSAVG: 1447000 11.6732 -57.8445 -80.4151 -55.0128 -4.50467 -46.5876 -82.0746 -44.8197 -18.8187 TIMING: 1447000 CPU: 4357.27, 0.0030458/step Wall: 4357.27, 0.0030458/step, 3.00604 hours remaining, 208.855469 MB of memory in use. ENERGY: 1447000 723.8549 2092.7827 1925.3775 118.1687 -206555.7804 17965.5346 0.0000 0.0000 34236.9415 -149493.1205 298.9997 -183730.0620 -149391.3086 298.4665 41.4305 74.2418 556334.6245 -3.8654 -3.8834 PRESSURE: 1447200 -31.0297 -93.437 -24.48 -93.4375 78.227 -81.8674 -24.4795 -81.8674 -35.0336 GPRESSURE: 1447200 -2.64763 -108.914 9.24093 -49.8553 112.968 -61.2464 -7.95716 -101.324 -22.8033 PRESSAVG: 1447200 61.1681 54.9803 20.0385 54.9803 -16.0864 -11.655 20.0385 -11.6549 -26.4464 GPRESSAVG: 1447200 61.2076 55.8742 18.335 52.5061 -15.101 -10.4357 18.0733 -10.3389 -27.5005 TIMING: 1447200 CPU: 4357.88, 0.00305439/step Wall: 4357.88, 0.00305439/step, 3.01435 hours remaining, 208.855469 MB of memory in use. ENERGY: 1447200 782.2501 2067.0006 1945.0106 112.5397 -206839.2958 18040.1634 0.0000 0.0000 34361.3014 -149531.0299 300.0858 -183892.3313 -149437.7606 298.3266 4.0546 29.1725 556587.0597 6.2118 6.2020 PRESSURE: 1447400 -208.607 8.11446 -35.2963 8.11522 -92.5278 -52.9329 -35.2964 -52.9311 -99.9629 GPRESSURE: 1447400 -171.156 -52.9094 -6.66461 113.919 -38.4533 -95.2675 -57.7129 -69.7609 -84.8569 PRESSAVG: 1447400 50.8498 -31.2427 27.2093 -31.2427 -33.9058 -10.0333 27.2092 -10.0333 -44.0306 GPRESSAVG: 1447400 51.1571 -31.172 29.4847 -29.7231 -34.246 -9.80088 25.266 -11.8269 -44.1661 TIMING: 1447400 CPU: 4358.5, 0.00306983/step Wall: 4358.5, 0.00306983/step, 3.02942 hours remaining, 208.855469 MB of memory in use. ENERGY: 1447400 743.5019 2076.7426 1925.2790 104.6403 -206377.4110 17809.8931 0.0000 0.0000 33948.8617 -149768.4924 296.4839 -183717.3541 -149670.1956 297.7722 -133.6991 -98.1556 556299.2519 -9.0289 -9.0850 PRESSURE: 1447600 -35.4213 -78.2682 27.158 -78.2687 -8.61729 -163.003 27.1575 -163.004 133.051 GPRESSURE: 1447600 7.5244 -106.591 -17.7719 18.502 -29.4287 -46.4933 101.131 -131.856 210.404 PRESSAVG: 1447600 26.1598 16.8824 22.2019 16.8824 77.4451 54.8706 22.2019 54.8707 -56.9855 GPRESSAVG: 1447600 26.3942 17.0809 21.1813 16.3784 75.8597 53.0013 22.9341 55.7688 -56.2533 TIMING: 1447600 CPU: 4359.11, 0.00305148/step Wall: 4359.11, 0.00305148/step, 3.01113 hours remaining, 208.855469 MB of memory in use. ENERGY: 1447600 754.5937 2032.3113 1974.5640 122.8663 -206937.5959 18124.5994 0.0000 0.0000 34238.9327 -149689.7284 299.0171 -183928.6611 -149607.2393 297.8234 29.6707 62.8333 556875.6724 15.5398 15.3335 PRESSURE: 1447800 -62.4179 -125.334 -150.5 -125.334 -106.103 101.005 -150.501 101.005 53.4882 GPRESSURE: 1447800 -21.4976 -80.8846 -100.778 -128.05 -81.2969 101.117 -133.521 113.919 85.9469 PRESSAVG: 1447800 -6.22762 5.08538 -17.5846 5.08533 14.9009 -41.6263 -17.5846 -41.6263 27.8116 GPRESSAVG: 1447800 -6.61316 5.56295 -18.517 4.00618 15.1615 -42.2223 -13.6334 -40.9059 27.6793 TIMING: 1447800 CPU: 4359.72, 0.00305449/step Wall: 4359.72, 0.00305449/step, 3.01394 hours remaining, 208.855469 MB of memory in use. ENERGY: 1447800 734.2913 2113.7044 1940.3346 116.0964 -206450.0117 17751.4953 0.0000 0.0000 34082.4376 -149711.6520 297.6504 -183794.0896 -149610.2586 298.1283 -38.3443 -5.6158 556676.5168 12.1616 12.0759 PRESSURE: 1448000 47.1932 -157.232 -93.8606 -157.232 -194.573 -74.6678 -93.8603 -74.6674 -8.42194 GPRESSURE: 1448000 84.4099 -42.6428 -74.999 -174.889 -161.195 -107.556 -118.819 0.0636963 27.9495 PRESSAVG: 1448000 21.4869 -23.9823 -0.282742 -23.9823 -26.3016 -19.3531 -0.282683 -19.353 1.70179 GPRESSAVG: 1448000 22.0567 -23.7106 1.33008 -23.2613 -25.9292 -17.9626 -1.6025 -21.4243 1.10538 TIMING: 1448000 CPU: 4360.33, 0.00307991/step Wall: 4360.33, 0.00307991/step, 3.03885 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: 1448000 770.7959 2128.1498 1941.8228 113.4535 -206610.6360 18012.7419 0.0000 0.0000 34109.2607 -149534.4114 297.8847 -183643.6721 -149439.3636 298.4632 -51.9339 -16.2784 558418.5198 -1.0377 -0.9224 PRESSURE: 1448200 -60.7575 -37.4513 70.8001 -37.4527 -25.9121 115.578 70.7977 115.578 -164.823 GPRESSURE: 1448200 -6.68885 -49.3618 80.4482 -74.974 28.4463 122.17 65.8026 80.4109 -179.803 PRESSAVG: 1448200 -16.0284 19.7423 21.8033 19.7424 49.6763 -2.73472 21.8034 -2.73471 21.5228 GPRESSAVG: 1448200 -16.0215 19.6418 19.9134 19.6211 49.7907 -3.58431 21.6624 -0.0867205 21.2365 TIMING: 1448200 CPU: 4360.95, 0.00307627/step Wall: 4360.95, 0.00307627/step, 3.03508 hours remaining, 208.855469 MB of memory in use. ENERGY: 1448200 743.0235 2093.7956 1926.4293 117.9677 -206223.8965 17621.1898 0.0000 0.0000 34244.1316 -149477.3590 299.0625 -183721.4906 -149369.3604 298.7555 -83.8308 -52.6819 558070.2997 18.3902 18.3352 LDB: ============= START OF LOAD BALANCING ============== 4364.47 LDB: ============== END OF LOAD BALANCING =============== 4364.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4364.47 LDB: ============= START OF LOAD BALANCING ============== 4364.78 LDB: Largest compute 4800 load 0.031564 is 26.8% of average load 0.117806 LDB: Average compute 0.001741 is 1.5% of average load 0.117806 LDB: TIME 4364.78 LOAD: AVG 0.117806 MAX 0.218577 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.531 MB LDB: TIME 4364.78 LOAD: AVG 0.117806 MAX 0.218577 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.531 MB LDB: TIME 4364.78 LOAD: AVG 0.117806 MAX 0.218577 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.531 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4364.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4364.79 PRESSURE: 1448400 -162.939 -64.3238 -63.7988 -64.3236 98.4638 143.083 -63.7986 143.083 -74.7974 GPRESSURE: 1448400 -153.99 -74.9089 -118.237 71.9334 175.621 169.929 -7.64636 90.2671 -66.8067 PRESSAVG: 1448400 -44.1693 -32.0683 10.2435 -32.0683 83.9106 3.69517 10.2435 3.69521 16.3029 GPRESSAVG: 1448400 -43.3557 -34.1903 11.1597 -31.9668 83.8888 4.23961 10.0984 0.42684 16.1674 TIMING: 1448400 CPU: 4361.57, 0.00310966/step Wall: 4361.57, 0.00310966/step, 3.06786 hours remaining, 208.582031 MB of memory in use. ENERGY: 1448400 729.6422 2049.7267 1952.3732 111.1085 -206278.6674 17685.1749 0.0000 0.0000 34310.6650 -149439.9769 299.6436 -183750.6418 -149338.5086 299.0323 -46.4244 -15.0588 558498.0978 18.6814 18.9002 PRESSURE: 1448600 9.51911 27.4463 26.6256 27.4464 230.918 45.3723 26.6245 45.3728 70.6337 GPRESSURE: 1448600 61.671 77.106 -30.3505 -26.8352 226.053 58.6608 104.595 0.52357 131.732 PRESSAVG: 1448600 -55.801 -21.9994 -26.1512 -21.9994 23.3259 7.07046 -26.1512 7.07051 40.846 GPRESSAVG: 1448600 -57.2122 -20.5643 -25.2927 -23.3153 23.2882 8.44094 -27.1678 7.70652 42.0633 TIMING: 1448600 CPU: 4362.18, 0.00304444/step Wall: 4362.18, 0.00304444/step, 3.00334 hours remaining, 208.652344 MB of memory in use. ENERGY: 1448600 753.3113 2110.7304 1914.0808 114.1980 -206824.0997 18131.4963 0.0000 0.0000 34327.3387 -149472.9441 299.7892 -183800.2828 -149378.8799 299.3439 103.6903 139.8185 558620.2210 2.7903 2.7131 PRESSURE: 1448800 76.5781 -68.5892 92.6993 -68.5887 88.3457 38.2588 92.6991 38.2607 323.938 GPRESSURE: 1448800 195.233 4.5888 97.4711 -90.0555 67.4864 51.0514 63.9 77.2513 317.818 PRESSAVG: 1448800 -8.62715 -30.4843 3.88078 -30.4844 26.3377 -23.4807 3.88081 -23.4806 32.5559 GPRESSAVG: 1448800 -7.8984 -31.0865 1.86843 -28.9468 26.9652 -25.5304 4.76946 -21.9665 31.1596 TIMING: 1448800 CPU: 4362.78, 0.00301501/step Wall: 4362.78, 0.00301501/step, 2.97414 hours remaining, 208.652344 MB of memory in use. ENERGY: 1448800 756.4878 2125.9648 1921.4771 111.3889 -206831.5395 18289.1652 0.0000 0.0000 34144.9820 -149482.0737 298.1966 -183627.0557 -149396.3959 298.7314 162.9539 193.5123 558262.2765 16.7555 16.7421 PRESSURE: 1449000 142.09 -64.2491 46.4781 -64.2488 154.227 88.3886 46.4771 88.3894 -147.84 GPRESSURE: 1449000 147.915 34.2515 100.487 -39.3793 178.482 80.9945 -32.1089 140.013 -69.659 PRESSAVG: 1449000 -6.9706 -42.0853 -24.3561 -42.0852 6.54715 -10.7553 -24.3561 -10.7554 -0.490685 GPRESSAVG: 1449000 -8.05779 -40.4533 -22.0367 -43.0462 7.06755 -9.92043 -24.6372 -11.5419 0.385446 TIMING: 1449000 CPU: 4363.39, 0.00303482/step Wall: 4363.39, 0.00303482/step, 2.99351 hours remaining, 208.652344 MB of memory in use. ENERGY: 1449000 739.2707 2088.1389 1962.8450 134.8265 -206773.4167 18171.1349 0.0000 0.0000 34111.1080 -149566.0927 297.9008 -183677.2007 -149469.2513 298.3569 49.4921 85.5793 558475.5296 -0.3047 -0.2016 PRESSURE: 1449200 -155.337 -5.57495 -19.7152 -5.57495 -144.503 -21.2491 -19.7152 -21.2481 -189.243 GPRESSURE: 1449200 -125.285 79.7843 -67.8888 22.7115 -122.692 -55.9364 -101.67 -117.606 -144.126 PRESSAVG: 1449200 52.8853 7.91498 28.1197 7.91507 13.1315 26.3702 28.1196 26.3703 -47.7786 GPRESSAVG: 1449200 53.7664 6.94983 27.7662 8.48414 12.1536 26.1472 27.7614 25.3876 -47.8127 TIMING: 1449200 CPU: 4364, 0.00303565/step Wall: 4364, 0.00303565/step, 2.99416 hours remaining, 208.652344 MB of memory in use. ENERGY: 1449200 749.2364 2121.7332 1925.2517 98.5019 -206298.3779 17817.0518 0.0000 0.0000 34056.5338 -149530.0692 297.4242 -183586.6030 -149435.5385 298.5645 -163.0276 -130.7006 559218.5733 6.0794 6.0358 PRESSURE: 1449400 119.301 -47.9053 -2.179 -47.9056 -247.536 62.2398 -2.17739 62.2412 57.7971 GPRESSURE: 1449400 146.706 -102.382 -61.3599 -103.271 -205.684 32.3596 108.663 64.355 82.6334 PRESSAVG: 1449400 35.3521 0.0999787 -25.4462 0.0998944 2.3027 -14.8312 -25.4462 -14.8311 -17.6907 GPRESSAVG: 1449400 36.4354 0.548086 -27.2025 -0.346642 1.38675 -15.0794 -25.3389 -14.1318 -17.4074 TIMING: 1449400 CPU: 4364.6, 0.00303365/step Wall: 4364.6, 0.00303365/step, 2.99202 hours remaining, 208.652344 MB of memory in use. ENERGY: 1449400 724.3100 2129.5552 1956.5820 112.9605 -206411.2833 17652.7410 0.0000 0.0000 34415.9521 -149419.1825 300.5631 -183835.1347 -149323.6252 299.1619 -23.4794 7.8849 556869.4609 6.6547 6.8049 PRESSURE: 1449600 150.956 -56.68 -31.445 -56.6798 69.9716 112.863 -31.4447 112.863 88.5445 GPRESSURE: 1449600 149.448 -90.2534 3.91638 -15.6329 90.7731 123.882 -77.4945 -2.58755 166.089 PRESSAVG: 1449600 -14.8645 -16.3916 -2.36886 -16.3916 -47.2782 32.3269 -2.36889 32.327 42.6752 GPRESSAVG: 1449600 -16.8114 -16.5272 -0.164515 -15.4245 -45.6797 31.5696 -2.72677 33.9104 43.4693 TIMING: 1449600 CPU: 4365.21, 0.00303657/step Wall: 4365.21, 0.00303657/step, 2.99473 hours remaining, 208.652344 MB of memory in use. ENERGY: 1449600 706.5255 2097.7030 1933.6946 117.8803 -206300.5403 17813.7047 0.0000 0.0000 34198.7863 -149432.2459 298.6665 -183631.0322 -149339.5377 298.4020 103.1574 135.4369 555338.3063 -6.4892 -6.3406 PRESSURE: 1449800 57.4357 -33.434 -43.5773 -33.4322 -239.105 -56.9615 -43.5767 -56.9612 6.0557 GPRESSURE: 1449800 63.4293 -33.8847 -43.5291 -34.2587 -188.068 -73.1934 -54.6152 -1.52855 49.1225 PRESSAVG: 1449800 54.9701 -11.5645 -12.3556 -11.5646 -1.56301 22.3893 -12.3555 22.3893 24.1152 GPRESSAVG: 1449800 55.942 -10.1048 -15.3514 -14.383 -2.19099 22.951 -11.7545 20.4764 23.402 TIMING: 1449800 CPU: 4365.81, 0.00301209/step Wall: 4365.81, 0.00301209/step, 2.97042 hours remaining, 208.652344 MB of memory in use. ENERGY: 1449800 775.8789 2146.2071 1932.7718 105.6650 -206151.9749 17805.9730 0.0000 0.0000 34111.7677 -149273.7114 297.9066 -183385.4791 -149174.5430 298.6199 -58.5377 -25.1719 557578.4603 25.8407 25.7177 PRESSURE: 1450000 118.311 -112.263 13.4781 -112.264 -47.0581 41.5679 13.4788 41.5689 -137.57 GPRESSURE: 1450000 144.492 -106.368 -76.9139 -144.47 -21.008 69.794 39.2503 25.3132 -100.756 PRESSAVG: 1450000 -7.45218 1.57584 35.2363 1.57575 61.964 17.9617 35.2363 17.9617 6.17954 GPRESSAVG: 1450000 -7.60216 0.530426 35.1714 1.88088 62.9473 20.005 33.6909 18.0325 5.79609 TIMING: 1450000 CPU: 4366.41, 0.00300524/step Wall: 4366.41, 0.00300524/step, 2.9635 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: 1450000 783.6437 2118.0668 1944.2757 126.3240 -206732.0076 17947.7648 0.0000 0.0000 34440.9483 -149370.9843 300.7814 -183811.9326 -149270.1459 299.7786 -22.1055 7.5758 556247.4600 20.2305 20.3804 PRESSURE: 1450200 -54.9544 84.8153 7.89339 84.8158 -155.718 158.218 7.89364 158.216 -151.575 GPRESSURE: 1450200 0.0437398 117.973 151.787 16.5584 -117.246 235.574 -77.249 82.4507 -133.984 PRESSAVG: 1450200 -24.7442 -7.68267 44.8512 -7.6826 57.538 51.2917 44.8514 51.2917 -49.3316 GPRESSAVG: 1450200 -24.1146 -7.46466 46.7925 -6.72664 56.9301 50.9152 45.3217 53.4219 -49.0212 TIMING: 1450200 CPU: 4367.02, 0.00301545/step Wall: 4367.02, 0.00301545/step, 2.9734 hours remaining, 208.652344 MB of memory in use. ENERGY: 1450200 764.7823 2111.3733 1919.3680 129.4856 -206419.9377 17775.6531 0.0000 0.0000 34285.8808 -149433.3945 299.4271 -183719.2754 -149337.4583 299.5929 -120.7491 -83.7287 555867.6356 -5.5126 -5.4019 PRESSURE: 1450400 -35.4363 22.1372 -25.2885 22.137 51.3479 -40.1975 -25.29 -40.1976 66.9383 GPRESSURE: 1450400 -13.9422 48.9592 52.2804 -7.94048 66.4897 -0.61513 -37.4439 -22.6855 127.325 PRESSAVG: 1450400 -19.9973 8.4725 92.5577 8.47247 65.5185 -11.9677 92.5577 -11.9678 7.74777 GPRESSAVG: 1450400 -20.2801 9.3595 91.6522 7.4417 65.2216 -12.5038 93.1777 -14.2014 8.29238 TIMING: 1450400 CPU: 4367.62, 0.00302492/step Wall: 4367.62, 0.00302492/step, 2.98258 hours remaining, 208.652344 MB of memory in use. ENERGY: 1450400 736.5221 2198.4451 1940.3346 121.8091 -206302.1597 17798.5070 0.0000 0.0000 34066.6479 -149439.8938 297.5125 -183506.5417 -149357.2499 299.2021 27.6166 59.9574 556476.1323 17.7563 17.7446 PRESSURE: 1450600 283.123 -85.5973 18.7962 -85.597 295.887 93.3326 18.7953 93.3315 -18.2907 GPRESSURE: 1450600 318.76 -27.5985 47.1147 -48.2886 356.206 148.438 30.4847 -43.8724 -8.22823 PRESSAVG: 1450600 -48.7554 3.95125 12.7464 3.95131 9.47611 57.1289 12.7464 57.1288 19.1543 GPRESSAVG: 1450600 -47.7818 5.92226 13.3662 4.98454 9.33426 57.787 12.3655 57.1042 18.2007 TIMING: 1450600 CPU: 4368.23, 0.00303393/step Wall: 4368.23, 0.00303393/step, 2.99129 hours remaining, 208.652344 MB of memory in use. ENERGY: 1450600 751.7687 2081.3939 1923.8207 120.7899 -206866.9389 18123.9707 0.0000 0.0000 34230.0327 -149635.1623 298.9394 -183865.1950 -149540.3558 298.3826 186.9062 222.2458 556159.9081 -6.7084 -6.7489 PRESSURE: 1450800 -162.146 -195.28 100.982 -195.279 59.6981 -75.468 100.983 -75.4671 -280.088 GPRESSURE: 1450800 -178.34 -224.743 28.6314 -159.798 99.2649 31.1456 93.4932 -103.3 -214.289 PRESSAVG: 1450800 8.00065 2.94614 11.8713 2.94618 75.2188 73.8542 11.8712 73.8543 -27.5776 GPRESSAVG: 1450800 6.81473 0.832646 12.5598 2.13824 75.1291 71.9352 10.5114 75.0236 -26.8294 TIMING: 1450800 CPU: 4368.84, 0.00302726/step Wall: 4368.84, 0.00302726/step, 2.98455 hours remaining, 208.652344 MB of memory in use. ENERGY: 1450800 780.0983 2142.0784 1955.0620 122.8553 -206532.5734 17763.8855 0.0000 0.0000 34178.7324 -149589.8615 298.4914 -183768.5939 -149487.3350 298.8395 -127.5121 -97.7882 558139.2540 18.5473 18.3715 PRESSURE: 1451000 -20.0665 -61.7319 151.086 -61.7322 -32.7183 164.591 151.085 164.591 59.7374 GPRESSURE: 1451000 -37.4935 -32.046 107.205 -49.8902 38.8072 115.436 151.293 90.1369 100.704 PRESSAVG: 1451000 -13.4655 -58.4767 93.7435 -58.4766 -3.73551 61.1549 93.7434 61.1549 -22.9585 GPRESSAVG: 1451000 -12.6504 -59.8825 92.2952 -57.2794 -3.13068 61.5188 95.3708 61.1934 -23.7803 TIMING: 1451000 CPU: 4369.44, 0.00304276/step Wall: 4369.44, 0.00304276/step, 2.99965 hours remaining, 208.652344 MB of memory in use. ENERGY: 1451000 723.4086 2067.5764 1919.7432 102.7133 -206354.6797 17827.7357 0.0000 0.0000 34220.5762 -149492.9263 298.8568 -183713.5025 -149394.1743 298.4452 2.3176 34.0061 556174.5134 -13.3865 -13.1871 PRESSURE: 1451200 38.1204 -49.8143 -41.0519 -49.8134 152.907 -16.0541 -41.0528 -16.0562 88.3851 GPRESSURE: 1451200 113.716 -16.7743 15.2008 -2.2776 138.557 -20.0882 -120.541 -10.2901 111.279 PRESSAVG: 1451200 35.2575 -10.9157 70.5093 -10.9157 25.0484 -2.04315 70.5093 -2.04312 -26.5074 GPRESSAVG: 1451200 37.0358 -7.8295 72.7922 -10.673 24.3754 -1.02399 68.7352 -1.65319 -27.5656 TIMING: 1451200 CPU: 4370.05, 0.00301505/step Wall: 4370.05, 0.00301505/step, 2.97217 hours remaining, 208.652344 MB of memory in use. ENERGY: 1451200 771.1857 2075.5402 1936.5299 111.7423 -206582.1345 17973.5442 0.0000 0.0000 34140.4588 -149573.1333 298.1571 -183713.5920 -149477.2282 298.1982 93.1376 121.1839 556592.3672 11.2662 11.2819 PRESSURE: 1451400 21.382 110.579 154.831 110.58 -306.746 -58.128 154.831 -58.1292 -154.559 GPRESSURE: 1451400 44.3609 42.976 165.873 116.769 -244.035 -28.0445 63.2985 -35.054 -142.178 PRESSAVG: 1451400 21.9698 -14.6963 33.0024 -14.6964 -18.3148 -11.1872 33.0025 -11.1872 -10.8962 GPRESSAVG: 1451400 19.9543 -15.8061 30.1352 -16.4639 -18.6452 -13.3545 33.5423 -10.1646 -9.12425 TIMING: 1451400 CPU: 4370.65, 0.00300617/step Wall: 4370.65, 0.00300617/step, 2.96325 hours remaining, 208.652344 MB of memory in use. ENERGY: 1451400 784.3608 2127.7677 1931.5910 119.2494 -206381.7266 17792.2725 0.0000 0.0000 34088.5705 -149537.9147 297.7040 -183626.4852 -149438.9111 298.1870 -146.6413 -113.9506 557611.7557 -2.4137 -2.6050 PRESSURE: 1451600 -80.955 86.5401 -14.2161 86.5395 -165.442 6.37865 -14.2176 6.37828 103.917 GPRESSURE: 1451600 34.6481 106.794 -127.311 163.511 -210.428 41.2972 -8.70955 74.0554 121.097 PRESSAVG: 1451600 50.373 12.8955 13.1773 12.8955 -82.2235 15.4948 13.1772 15.4948 2.70633 GPRESSAVG: 1451600 51.2916 13.196 15.497 13.1418 -81.5053 17.7862 11.5006 12.4246 0.964429 TIMING: 1451600 CPU: 4371.25, 0.00300817/step Wall: 4371.25, 0.00300817/step, 2.96506 hours remaining, 208.652344 MB of memory in use. ENERGY: 1451600 741.0958 2052.8108 1923.7284 119.3727 -206568.1393 17733.1889 0.0000 0.0000 34389.0900 -149608.8527 300.3285 -183997.9427 -149511.7031 298.2143 -47.4933 -18.2275 556271.6419 -9.7147 -9.7498 PRESSURE: 1451800 -133.264 5.27895 -1.77574 5.27924 -726.788 -46.7786 -1.77602 -46.7812 -162.815 GPRESSURE: 1451800 -62.973 0.476088 -21.8271 -89.164 -667.074 37.9022 26.6019 -71.6761 -183.054 PRESSAVG: 1451800 19.826 -30.9398 -37.1158 -30.9398 -54.1366 -8.12185 -37.1159 -8.12167 0.968512 GPRESSAVG: 1451800 18.2698 -32.1018 -40.0433 -30.8331 -53.3471 -9.22644 -34.8286 -6.22283 1.19727 TIMING: 1451800 CPU: 4371.86, 0.00303377/step Wall: 4371.86, 0.00303377/step, 2.99012 hours remaining, 208.652344 MB of memory in use. ENERGY: 1451800 760.4500 2107.5520 1911.0660 106.5241 -205921.7564 17362.3669 0.0000 0.0000 34110.7636 -149563.0337 297.8978 -183673.7972 -149468.9871 298.2269 -340.9557 -304.3669 558854.0361 -11.1141 -11.2934 PRESSURE: 1452000 -218.256 34.4581 23.1318 34.4574 -139.687 47.7489 23.1326 47.7475 -303.609 GPRESSURE: 1452000 -218.991 67.1386 0.878643 45.3445 -86.6247 -1.83503 -27.2926 66.7436 -241.026 PRESSAVG: 1452000 55.4667 68.3364 -49.1703 68.3364 -95.9808 -48.9885 -49.1701 -48.9887 54.1211 GPRESSAVG: 1452000 56.192 68.9558 -46.8849 69.3868 -97.4191 -46.8394 -49.7468 -50.141 54.4455 TIMING: 1452000 CPU: 4372.47, 0.00304613/step Wall: 4372.47, 0.00304613/step, 3.00213 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: 1452000 790.3837 2116.8857 1946.8720 113.8923 -206200.6925 17656.2506 0.0000 0.0000 33939.5549 -149636.8534 296.4026 -183576.4083 -149540.5885 298.0707 -220.5175 -182.2139 558134.2251 4.5357 4.4062 PRESSURE: 1452200 18.7552 -88.0657 13.2114 -88.0649 -3.48397 60.7346 13.2102 60.7347 125.172 GPRESSURE: 1452200 52.8148 -102.253 -19.5891 -119.067 49.0847 133.314 30.915 47.5019 146.034 PRESSAVG: 1452200 49.022 25.9268 -20.3742 25.9269 -19.1761 17.4479 -20.3742 17.448 -21.2895 GPRESSAVG: 1452200 46.8522 24.7296 -22.7682 27.029 -18.4329 15.1418 -18.5308 18.4202 -20.0843 TIMING: 1452200 CPU: 4373.08, 0.00307219/step Wall: 4373.08, 0.00307219/step, 3.02765 hours remaining, 208.652344 MB of memory in use. ENERGY: 1452200 734.4590 2069.4057 1949.8468 109.4004 -206576.6248 18208.1842 0.0000 0.0000 34059.8978 -149445.4309 297.4536 -183505.3287 -149347.2913 298.4579 46.8143 82.6445 559145.0371 2.8521 2.7784 LDB: ============= START OF LOAD BALANCING ============== 4376.6 LDB: ============== END OF LOAD BALANCING =============== 4376.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4376.6 LDB: ============= START OF LOAD BALANCING ============== 4376.91 LDB: Largest compute 4800 load 0.030482 is 25.9% of average load 0.117851 LDB: Average compute 0.001732 is 1.5% of average load 0.117851 LDB: TIME 4376.92 LOAD: AVG 0.117851 MAX 0.219966 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.645 MB LDB: TIME 4376.92 LOAD: AVG 0.117851 MAX 0.219966 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.715 MB LDB: TIME 4376.92 LOAD: AVG 0.117851 MAX 0.219966 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.715 MB LDB: ============== END OF LOAD BALANCING =============== 4376.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4376.92 PRESSURE: 1452400 -19.5635 -53.4635 75.5605 -53.462 -52.8354 57.6941 75.5602 57.6934 -20.6424 GPRESSURE: 1452400 56.4291 -94.1414 44.3265 -3.27939 -57.5741 38.9463 112.066 29.4635 9.96741 PRESSAVG: 1452400 -32.8581 38.0022 -2.49402 38.0021 15.8296 4.01761 -2.49403 4.01762 4.9709 GPRESSAVG: 1452400 -30.495 38.7074 -0.901609 36.0463 15.2375 5.833 -3.42996 4.09232 3.25615 TIMING: 1452400 CPU: 4373.71, 0.00312913/step Wall: 4373.71, 0.00312913/step, 3.08358 hours remaining, 208.843750 MB of memory in use. ENERGY: 1452400 729.5319 2073.2084 1936.4326 109.5404 -206287.1975 18052.8675 0.0000 0.0000 33902.7891 -149482.8277 296.0815 -183385.6168 -149388.4280 297.9931 -31.0138 2.9408 557888.2370 -4.0192 -4.0005 PRESSURE: 1452600 227.287 12.9981 59.7439 12.9967 -67.4704 93.8346 59.7429 93.8367 -122.753 GPRESSURE: 1452600 186.038 27.5975 22.8898 47.6976 -1.67928 81.1793 145.986 91.4737 -51.3868 PRESSAVG: 1452600 9.2982 46.6058 -4.74685 46.6057 -5.44211 11.7311 -4.74685 11.731 10.812 GPRESSAVG: 1452600 8.0197 46.0656 -3.53361 47.9505 -6.31209 10.3411 -4.4423 12.2383 12.6163 TIMING: 1452600 CPU: 4374.31, 0.00301454/step Wall: 4374.31, 0.00301454/step, 2.97049 hours remaining, 208.843750 MB of memory in use. ENERGY: 1452600 738.5491 2109.0020 1942.6585 118.3691 -206496.7642 17744.3468 0.0000 0.0000 34417.8499 -149425.9888 300.5796 -183843.8387 -149329.3043 298.0985 12.3546 44.3240 555528.7177 4.8894 4.7747 PRESSURE: 1452800 -86.4646 -65.1994 18.1821 -65.1999 -52.0266 -1.85131 18.1819 -1.8522 -96.8035 GPRESSURE: 1452800 -52.483 -95.1344 114.182 -88.7934 -8.71224 -64.4561 16.3518 83.2763 -67.6201 PRESSAVG: 1452800 36.0789 27.8233 -47.7383 27.8233 -35.4171 -4.10301 -47.7383 -4.10303 24.101 GPRESSAVG: 1452800 37.0328 27.2717 -48.9011 26.1552 -35.5924 -4.57914 -48.5582 -3.65098 23.8772 TIMING: 1452800 CPU: 4374.92, 0.00306047/step Wall: 4374.92, 0.00306047/step, 3.01558 hours remaining, 208.843750 MB of memory in use. ENERGY: 1452800 753.8135 2099.3302 1961.9480 113.9598 -206218.9309 17795.6131 0.0000 0.0000 34180.5059 -149313.7605 298.5069 -183494.2664 -149215.6859 298.6552 -78.4316 -42.9385 556923.7673 8.2543 8.4392 PRESSURE: 1453000 -194.403 -214.326 -68.4763 -214.327 2.3925 100.074 -68.4774 100.074 -9.16462 GPRESSURE: 1453000 -133.557 -175.154 25.9119 -228.772 -22.4377 131.028 -168.903 95.7107 53.5933 PRESSAVG: 1453000 -33.9976 -1.08667 21.9506 -1.0867 14.1192 -11.8073 21.9508 -11.8073 29.7538 GPRESSAVG: 1453000 -34.6438 -0.80175 22.0973 -0.320012 13.3723 -11.4525 22.8633 -11.8801 31.0891 TIMING: 1453000 CPU: 4375.53, 0.00302839/step Wall: 4375.53, 0.00302839/step, 2.98381 hours remaining, 208.980469 MB of memory in use. ENERGY: 1453000 755.4882 2109.0994 1931.4085 123.1018 -206015.3912 17595.9276 0.0000 0.0000 34220.9114 -149279.4544 298.8597 -183500.3658 -149178.7440 300.0263 -67.0585 -34.1338 555906.9996 3.2918 3.2725 PRESSURE: 1453200 -347.735 -52.7852 31.1043 -52.7852 -240.029 90.0428 31.103 90.0421 -250.374 GPRESSURE: 1453200 -315.589 -52.2802 82.3643 -15.5082 -173.814 80.8155 36.9433 108.374 -242.117 PRESSAVG: 1453200 26.5424 -1.22327 -34.9051 -1.22327 -35.1828 33.862 -34.9051 33.8621 -5.11886 GPRESSAVG: 1453200 26.2574 -2.84827 -34.5151 -2.11335 -33.4916 34.5011 -35.4405 34.2164 -6.24582 TIMING: 1453200 CPU: 4376.13, 0.00301842/step Wall: 4376.13, 0.00301842/step, 2.97381 hours remaining, 208.980469 MB of memory in use. ENERGY: 1453200 811.3466 2127.8868 1935.0363 107.4705 -206101.1423 17364.9372 0.0000 0.0000 34360.0026 -149394.4623 300.0744 -183754.4649 -149298.7534 299.5409 -279.3795 -243.8399 557324.2017 -4.5864 -4.4933 PRESSURE: 1453400 -182.44 28.8255 -107.275 28.8269 19.9198 70.3144 -107.276 70.313 -10.9561 GPRESSURE: 1453400 -131.866 -51.4926 -92.5707 79.0858 85.2571 119.117 -72.5071 19.8518 -29.4053 PRESSAVG: 1453400 -20.7264 5.74504 -6.59393 5.74513 73.2023 16.2133 -6.59393 16.2132 -26.1564 GPRESSAVG: 1453400 -20.8752 9.5787 -6.30375 4.95589 74.0056 14.5743 -8.2975 16.4401 -26.8302 TIMING: 1453400 CPU: 4376.73, 0.00300247/step Wall: 4376.73, 0.00300247/step, 2.95793 hours remaining, 208.980469 MB of memory in use. ENERGY: 1453400 737.1503 2116.9456 1930.9455 108.5023 -206091.4155 17671.3346 0.0000 0.0000 34213.5328 -149313.0044 298.7953 -183526.5372 -149211.4177 299.1756 -57.8256 -25.3380 558097.9396 8.7732 8.7667 PRESSURE: 1453600 -27.5558 127.553 -114.064 127.552 -138.567 -149.081 -114.065 -149.082 -270.585 GPRESSURE: 1453600 -14.4168 115.955 -63.4855 160.774 -149.349 -79.3791 -120.293 -200.358 -181.263 PRESSAVG: 1453600 67.6646 36.2281 -3.89568 36.228 -80.0282 18.3891 -3.89557 18.3892 -18.5899 GPRESSAVG: 1453600 68.3715 35.9059 -4.14584 38.4442 -81.5035 20.4817 -2.85073 17.755 -17.7787 TIMING: 1453600 CPU: 4377.33, 0.00299174/step Wall: 4377.33, 0.00299174/step, 2.94719 hours remaining, 208.980469 MB of memory in use. ENERGY: 1453600 736.7630 2140.2108 1941.6135 113.3235 -206145.3962 17621.3867 0.0000 0.0000 34254.1302 -149337.9685 299.1498 -183592.0986 -149245.1866 299.5925 -145.5691 -115.0094 558762.5029 -10.3178 -10.3036 PRESSURE: 1453800 -163.858 70.0895 -98.7731 70.0897 -27.3799 65.2952 -98.7723 65.2956 121.049 GPRESSURE: 1453800 -171.389 84.9882 -89.7533 106.077 60.6842 94.6698 -109.956 32.9826 143.094 PRESSAVG: 1453800 21.4489 -14.2159 -41.1027 -14.2159 -57.5693 -38.0604 -41.1026 -38.0603 0.0479046 GPRESSAVG: 1453800 21.5295 -15.8618 -41.5703 -13.13 -57.0743 -38.9115 -41.3379 -36.396 0.135369 TIMING: 1453800 CPU: 4377.93, 0.00302021/step Wall: 4377.93, 0.00302021/step, 2.97507 hours remaining, 208.980469 MB of memory in use. ENERGY: 1453800 759.4506 2143.6413 1942.6907 108.4296 -206184.9724 17782.1466 0.0000 0.0000 34239.9456 -149208.6679 299.0260 -183448.6135 -149111.9111 298.5019 -23.3962 10.7966 558344.8147 -12.0242 -11.8031 PRESSURE: 1454000 -172.421 -87.3025 80.5634 -87.3012 110.722 -5.51152 80.5635 -5.51218 144.901 GPRESSURE: 1454000 -132.511 -93.3586 178.913 -50.8008 164.286 11.1571 33.0104 -77.0891 140.341 PRESSAVG: 1454000 -63.1327 37.5841 4.78737 37.584 -48.6428 -0.130793 4.78737 -0.130772 30.1307 GPRESSAVG: 1454000 -61.9072 37.6994 5.3083 37.9432 -48.6801 0.91059 5.63316 -3.13176 28.6333 TIMING: 1454000 CPU: 4378.55, 0.00307194/step Wall: 4378.55, 0.00307194/step, 3.02586 hours remaining, 208.980469 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: 1454000 750.3571 2075.3839 1938.7767 111.9146 -206037.9191 17791.1093 0.0000 0.0000 34233.6883 -149136.6892 298.9713 -183370.3775 -149043.8620 299.5070 27.7341 57.3720 556982.8544 -27.2149 -27.3180 PRESSURE: 1454200 308.317 131.9 119.215 131.9 152.009 66.9754 119.215 66.9741 159.051 GPRESSURE: 1454200 331.66 142.663 -22.2838 113.45 156.899 153.149 114.336 0.74511 221.839 PRESSAVG: 1454200 -25.555 -8.6068 -26.7647 -8.60675 17.6869 32.0198 -26.7646 32.0197 9.67958 GPRESSAVG: 1454200 -25.8323 -9.0549 -25.6643 -9.12962 17.9035 31.5581 -25.6778 35.3213 10.1751 TIMING: 1454200 CPU: 4379.15, 0.00302768/step Wall: 4379.15, 0.00302768/step, 2.98209 hours remaining, 208.980469 MB of memory in use. ENERGY: 1454200 769.4904 2054.4450 1937.7411 115.7044 -206157.6851 17951.5774 0.0000 0.0000 34205.3866 -149123.3402 298.7241 -183328.7269 -149032.0600 299.1045 206.4588 236.7990 555868.5155 0.6038 0.7488 PRESSURE: 1454400 -120.085 60.1893 129.822 60.1887 -262.794 225.374 129.822 225.375 -294.458 GPRESSURE: 1454400 -167.959 49.2141 146.869 71.7806 -170.27 266.173 62.5958 149.015 -235.334 PRESSAVG: 1454400 37.6417 -1.69117 37.8728 -1.69121 -0.98956 53.2017 37.8727 53.2017 -47.0257 GPRESSAVG: 1454400 36.0442 -0.470244 37.4084 -1.07045 -0.281955 51.8938 36.5845 51.7031 -46.7062 TIMING: 1454400 CPU: 4379.76, 0.0030396/step Wall: 4379.76, 0.0030396/step, 2.99367 hours remaining, 208.980469 MB of memory in use. ENERGY: 1454400 759.3002 2120.1637 1935.4913 112.8471 -205574.9200 17411.0393 0.0000 0.0000 34032.7755 -149203.3029 297.2167 -183236.0784 -149108.2649 299.0420 -225.7790 -191.1876 558212.0786 -3.4579 -3.6480 PRESSURE: 1454600 104.738 -91.1517 184.59 -91.1521 47.2927 -16.6982 184.591 -16.6975 118.801 GPRESSURE: 1454600 207.576 -68.7284 203.107 -41.2194 19.3859 -35.9012 242.198 -46.8449 143.767 PRESSAVG: 1454600 28.67 -8.47385 5.16418 -8.47378 -5.96736 -20.4019 5.16425 -20.4018 -53.004 GPRESSAVG: 1454600 28.4343 -9.19124 5.61626 -9.06664 -5.80992 -20.7786 5.37252 -20.6139 -52.7226 TIMING: 1454600 CPU: 4380.37, 0.00302271/step Wall: 4380.37, 0.00302271/step, 2.97686 hours remaining, 209.183594 MB of memory in use. ENERGY: 1454600 737.0380 2108.3531 1939.0192 130.7332 -206536.3380 18083.1613 0.0000 0.0000 34332.0973 -149205.9359 299.8307 -183538.0332 -149105.7978 298.9988 90.2771 123.5766 557378.8516 -10.1004 -10.0327 PRESSURE: 1454800 184.626 -6.51729 93.2694 -6.51752 -330.72 70.1539 93.2685 70.1535 -107.521 GPRESSURE: 1454800 186.543 68.6374 162.864 -62.1284 -280.227 87.682 29.4586 89.1229 -66.644 PRESSAVG: 1454800 -33.0467 44.5418 30.2003 44.5418 -37.5409 -42.1062 30.2003 -42.1061 52.8207 GPRESSAVG: 1454800 -32.8828 45.6805 28.3202 42.4753 -37.6348 -40.1557 31.8776 -41.1994 52.5724 TIMING: 1454800 CPU: 4380.97, 0.00303374/step Wall: 4380.97, 0.00303374/step, 2.98756 hours remaining, 209.183594 MB of memory in use. ENERGY: 1454800 749.4957 2132.8543 1942.9073 103.8054 -206335.5013 17866.0380 0.0000 0.0000 34157.1064 -149383.2942 298.3025 -183540.4006 -149292.0996 299.2271 -84.5382 -53.4427 557382.6551 -5.9223 -5.9817 PRESSURE: 1455000 -258.571 61.2312 -151.717 61.2305 -312.767 129.303 -151.718 129.304 -304.059 GPRESSURE: 1455000 -240.221 92.8704 -267.902 128.553 -287.38 13.3284 -109.349 126.3 -248.648 PRESSAVG: 1455000 23.4427 -10.9316 -18.4296 -10.9315 1.96077 -36.5159 -18.4296 -36.5158 -63.7026 GPRESSAVG: 1455000 24.7053 -10.704 -18.9272 -10.9435 1.34917 -35.2794 -18.3836 -36.6791 -63.9186 TIMING: 1455000 CPU: 4381.58, 0.00302007/step Wall: 4381.58, 0.00302007/step, 2.97393 hours remaining, 209.183594 MB of memory in use. ENERGY: 1455000 769.6816 2139.3790 1917.8459 114.4099 -205470.0454 17269.8313 0.0000 0.0000 34063.6475 -149195.2502 297.4863 -183258.8977 -149098.2869 299.2703 -291.7989 -258.7498 557969.0318 -12.7663 -12.6214 PRESSURE: 1455200 -59.1756 59.5793 -128.425 59.579 -178.48 88.6912 -128.425 88.6921 -428.723 GPRESSURE: 1455200 4.74347 99.1996 -93.0944 72.5972 -178.314 40.1224 -137.075 158.154 -391.612 PRESSAVG: 1455200 75.4417 25.5827 13.2812 25.5827 -3.47609 -5.22278 13.2812 -5.22273 -42.762 GPRESSAVG: 1455200 74.8406 24.4068 15.0409 27.4222 -3.80588 -6.09039 10.8531 -6.29705 -41.4779 TIMING: 1455200 CPU: 4382.18, 0.00303728/step Wall: 4382.18, 0.00303728/step, 2.99071 hours remaining, 209.183594 MB of memory in use. ENERGY: 1455200 745.4378 2127.3351 1926.0717 106.0507 -205818.5506 17427.1031 0.0000 0.0000 34231.7514 -149254.8009 298.9544 -183486.5523 -149157.2976 298.8335 -222.1263 -188.3942 557584.8169 9.7345 9.8523 PRESSURE: 1455400 11.8733 -113.929 -117.94 -113.929 -193.817 -7.87641 -117.939 -7.87572 300.807 GPRESSURE: 1455400 57.2768 -134.932 -182.412 -98.2916 -139.142 -4.79339 -121.782 -38.4353 290.986 PRESSAVG: 1455400 -6.34346 21.799 6.15764 21.7989 -4.5636 17.8815 6.15766 17.8815 7.42137 GPRESSAVG: 1455400 -7.38896 24.0014 6.02553 20.4394 -3.63982 17.2075 8.16841 19.1219 6.88737 TIMING: 1455400 CPU: 4382.79, 0.00303713/step Wall: 4382.79, 0.00303713/step, 2.99039 hours remaining, 209.183594 MB of memory in use. ENERGY: 1455400 753.5644 2122.8060 1907.8060 116.5664 -206287.8812 17879.5785 0.0000 0.0000 34203.9744 -149303.5854 298.7118 -183507.5598 -149197.8561 298.4991 39.6213 69.7069 557262.2883 -1.1619 -1.3805 PRESSURE: 1455600 11.5652 22.804 8.14075 22.8027 266.027 135.289 8.14052 135.29 19.2086 GPRESSURE: 1455600 55.3736 80.6064 34.4026 -13.5497 314.975 82.8779 14.5362 177.461 28.6822 PRESSAVG: 1455600 27.4142 11.8637 -35.2752 11.8636 18.1911 2.88744 -35.2752 2.88755 -23.2863 GPRESSAVG: 1455600 28.1788 10.6931 -35.3104 11.6282 18.1553 4.34468 -34.4845 3.44893 -24.1333 TIMING: 1455600 CPU: 4383.39, 0.00300923/step Wall: 4383.39, 0.00300923/step, 2.96275 hours remaining, 209.183594 MB of memory in use. ENERGY: 1455600 755.9248 2166.2017 1916.0525 107.8919 -206601.5058 18048.2865 0.0000 0.0000 34289.3624 -149317.7860 299.4575 -183607.1484 -149214.1691 298.9708 98.9335 133.0102 556844.7037 7.4396 7.4003 PRESSURE: 1455800 -241.138 -74.5378 -154.375 -74.5372 -73.485 -147.451 -154.376 -147.451 58.346 GPRESSURE: 1455800 -185.474 -71.6372 -46.7814 -193.53 -77.4223 -135.584 -232.018 -145.04 106.875 PRESSAVG: 1455800 -77.9262 25.8124 -24.2804 25.8124 60.3064 -65.9634 -24.2804 -65.9634 10.2286 GPRESSAVG: 1455800 -76.8302 26.0872 -22.9945 25.392 59.482 -67.361 -26.0433 -67.7912 10.0742 TIMING: 1455800 CPU: 4384, 0.00304148/step Wall: 4384, 0.00304148/step, 2.99434 hours remaining, 209.183594 MB of memory in use. ENERGY: 1455800 714.5664 2082.6147 1931.8031 101.5459 -205988.1600 17686.4572 0.0000 0.0000 34237.8371 -149233.3356 299.0075 -183471.1728 -149138.7635 298.6601 -85.4258 -52.0072 558441.7937 -2.4637 -2.4247 PRESSURE: 1456000 -108.84 -3.40575 -117.945 -3.40539 50.7736 -33.377 -117.945 -33.3783 -121.717 GPRESSURE: 1456000 -12.1853 -1.57396 -104.232 -9.37308 74.9076 -58.2964 -152.812 -10.7027 -138.181 PRESSAVG: 1456000 -8.59045 53.9159 -43.5209 53.9159 52.0876 -8.00151 -43.521 -8.00152 -16.7235 GPRESSAVG: 1456000 -9.17851 52.5114 -43.1015 53.6314 52.5237 -7.62648 -45.3075 -7.93437 -16.4479 TIMING: 1456000 CPU: 4384.6, 0.00300104/step Wall: 4384.6, 0.00300104/step, 2.95436 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: 1456000 726.4042 2135.4853 1936.8128 98.0621 -205825.8735 17684.3653 0.0000 0.0000 34107.7162 -149137.0277 297.8712 -183244.7439 -149034.4033 299.1358 -59.9280 -25.1529 557967.8478 8.9245 8.9658 PRESSURE: 1456200 -46.2524 133.564 -5.38786 133.564 -142.855 18.2584 -5.38908 18.2595 -93.7758 GPRESSURE: 1456200 -10.4788 96.5654 -54.19 138.453 -126.264 86.8893 -21.7876 35.1951 -50.6869 PRESSAVG: 1456200 -26.3849 21.1775 -11.4462 21.1775 32.0228 26.3871 -11.4463 26.3871 23.8671 GPRESSAVG: 1456200 -26.3642 22.3521 -13.3117 20.1357 32.2099 29.0084 -8.33537 26.1048 24.3712 TIMING: 1456200 CPU: 4385.2, 0.00300785/step Wall: 4385.2, 0.00300785/step, 2.96089 hours remaining, 209.183594 MB of memory in use. ENERGY: 1456200 732.6793 2075.7506 1927.7188 122.7719 -205952.1161 17733.8563 0.0000 0.0000 34225.4509 -149133.8883 298.8994 -183359.3392 -149036.9387 299.3139 -94.2942 -62.4765 559009.7005 9.8350 10.0723 LDB: ============= START OF LOAD BALANCING ============== 4388.72 LDB: ============== END OF LOAD BALANCING =============== 4388.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4388.72 LDB: ============= START OF LOAD BALANCING ============== 4389.03 LDB: Largest compute 4800 load 0.032825 is 27.9% of average load 0.117841 LDB: Average compute 0.001738 is 1.5% of average load 0.117841 LDB: TIME 4389.03 LOAD: AVG 0.117841 MAX 0.21557 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.074 MB LDB: TIME 4389.03 LOAD: AVG 0.117841 MAX 0.21557 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.074 MB LDB: TIME 4389.03 LOAD: AVG 0.117841 MAX 0.21557 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.074 MB LDB: ============== END OF LOAD BALANCING =============== 4389.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4389.04 PRESSURE: 1456400 -381.07 -82.197 -21.1435 -82.1964 -145.94 -151.997 -21.1437 -151.996 -13.855 GPRESSURE: 1456400 -312.23 -48.666 -19.2373 -117.152 -98.5064 -147.281 -5.63203 -118.231 -32.3644 PRESSAVG: 1456400 16.0299 -22.797 6.96827 -22.7971 -38.8711 -23.0318 6.96821 -23.0319 53.2925 GPRESSAVG: 1456400 15.9734 -22.6989 7.4518 -20.2855 -38.2611 -23.9976 6.95089 -21.6512 52.812 TIMING: 1456400 CPU: 4385.82, 0.00307912/step Wall: 4385.82, 0.00307912/step, 3.03088 hours remaining, 206.734375 MB of memory in use. ENERGY: 1456400 744.3120 2100.6259 1943.1311 106.2141 -206290.9532 17826.0553 0.0000 0.0000 34350.6779 -149219.9369 299.9930 -183570.6147 -149116.1554 299.6285 -180.2882 -147.7001 558542.1390 10.1504 10.1748 PRESSURE: 1456600 -106.422 -81.1013 76.2738 -81.0992 -251.81 19.1421 76.2724 19.1426 -164.956 GPRESSURE: 1456600 -95.5289 -123.195 104.764 -21.562 -204.447 109.711 21.5874 -48.8748 -136.423 PRESSAVG: 1456600 -8.64967 4.99995 -2.71563 4.99999 -12.1328 -30.9998 -2.71562 -30.9997 24.2688 GPRESSAVG: 1456600 -7.54232 4.54453 -1.17522 4.53998 -13.41 -32.4415 -3.14887 -30.8629 23.9202 TIMING: 1456600 CPU: 4386.42, 0.00301979/step Wall: 4386.42, 0.00301979/step, 2.97232 hours remaining, 206.992188 MB of memory in use. ENERGY: 1456600 752.5965 2131.6095 1921.4379 117.5128 -206142.3271 17470.6053 0.0000 0.0000 34461.9550 -149286.6102 300.9648 -183748.5652 -149194.9348 299.0819 -174.3962 -145.4664 556562.1573 1.1621 0.9893 PRESSURE: 1456800 206.403 98.687 -110.326 98.6869 97.2263 -140.832 -110.325 -140.83 -16.3848 GPRESSURE: 1456800 232.196 158.246 -186.924 101.913 144.242 -59.1431 -115.831 -135.482 4.74936 PRESSAVG: 1456800 18.3472 18.8392 -19.4633 18.8392 -58.875 14.4984 -19.4633 14.4985 59.7045 GPRESSAVG: 1456800 16.706 19.6597 -19.5338 18.9585 -58.794 16.0734 -20.6004 13.7316 61.2087 TIMING: 1456800 CPU: 4387.03, 0.00302203/step Wall: 4387.03, 0.00302203/step, 2.97435 hours remaining, 206.992188 MB of memory in use. ENERGY: 1456800 719.3750 2093.6509 1919.0261 103.0147 -206384.2290 17926.3151 0.0000 0.0000 34610.1079 -149012.7395 302.2587 -183622.8474 -148908.5712 299.0155 95.7481 127.0625 556639.1374 6.3922 6.3736 PRESSURE: 1457000 32.4572 117.699 -312.458 117.698 -35.0793 62.6192 -312.458 62.6202 147.09 GPRESSURE: 1457000 47.9786 58.9422 -317.996 79.5058 27.5164 68.7573 -213.183 92.2266 157.116 PRESSAVG: 1457000 53.0156 40.3406 7.61167 40.3406 -30.208 36.7591 7.61165 36.759 21.9239 GPRESSAVG: 1457000 54.0288 40.7825 7.08982 39.8309 -29.9373 36.0455 7.84015 37.3328 20.1283 TIMING: 1457000 CPU: 4387.63, 0.00299169/step Wall: 4387.63, 0.00299169/step, 2.94432 hours remaining, 206.992188 MB of memory in use. ENERGY: 1457000 760.2239 2089.6752 1924.7948 127.2977 -206029.4348 17693.5937 0.0000 0.0000 34434.0705 -148999.7790 300.7213 -183433.8495 -148904.8942 300.0908 48.1561 77.5371 556423.5219 14.9105 14.7399 PRESSURE: 1457200 175.45 125.608 -66.0263 125.608 11.8516 111.918 -66.0259 111.917 -27.6092 GPRESSURE: 1457200 169.108 75.1722 -29.9652 125.672 36.0852 141.073 -37.5875 85.2906 50.9827 PRESSAVG: 1457200 -22.0113 24.924 24.0395 24.924 -14.6272 83.008 24.0396 83.0079 17.305 GPRESSAVG: 1457200 -23.5723 23.33 22.3396 24.8206 -14.1612 81.5808 26.4886 83.2823 17.8422 TIMING: 1457200 CPU: 4388.22, 0.00299586/step Wall: 4388.22, 0.00299586/step, 2.94826 hours remaining, 206.992188 MB of memory in use. ENERGY: 1457200 711.9146 2147.4868 1952.2357 117.2598 -206064.2889 17734.1031 0.0000 0.0000 34400.9846 -149000.3042 300.4324 -183401.2888 -148902.4555 299.8937 53.2308 85.3919 558091.2078 -6.4445 -6.6304 PRESSURE: 1457400 120.904 251.914 -23.7941 251.914 -277.567 3.3401 -23.7951 3.34059 -55.39 GPRESSURE: 1457400 103.302 246.707 -68.6032 207.315 -233.311 20.0901 35.3304 -3.63549 12.6472 PRESSAVG: 1457400 36.9639 10.4089 -12.7641 10.4089 -49.7376 31.6723 -12.7641 31.6723 23.4101 GPRESSAVG: 1457400 36.787 12.5563 -14.3301 9.8841 -49.1737 33.4163 -11.6708 30.236 23.0366 TIMING: 1457400 CPU: 4388.82, 0.00298601/step Wall: 4388.82, 0.00298601/step, 2.9384 hours remaining, 206.992188 MB of memory in use. ENERGY: 1457400 740.7545 2072.5702 1931.8902 116.4646 -205714.6033 17548.7795 0.0000 0.0000 34309.5217 -148994.6225 299.6336 -183304.1443 -148895.3864 299.6270 -70.6845 -39.1206 557176.1166 3.5455 3.5499 PRESSURE: 1457600 163.326 -72.6947 66.0084 -72.6959 -4.85316 -102.645 66.0081 -102.647 121.124 GPRESSURE: 1457600 163.747 -71.9653 70.3504 -104.888 47.6898 -72.4366 166.317 -124.271 160.227 PRESSAVG: 1457600 -20.3273 39.1642 -16.0723 39.1641 -31.3878 -36.9613 -16.0722 -36.9613 54.8738 GPRESSAVG: 1457600 -19.8589 37.6605 -14.7219 40.5066 -31.7554 -35.3033 -18.5558 -36.4268 54.5783 TIMING: 1457600 CPU: 4389.42, 0.00296772/step Wall: 4389.42, 0.00296772/step, 2.92023 hours remaining, 206.992188 MB of memory in use. ENERGY: 1457600 748.4988 2096.1501 1921.2503 123.3734 -206305.2213 17857.9083 0.0000 0.0000 34580.8581 -148977.1823 302.0032 -183558.0404 -148879.5153 300.4337 93.1988 123.8879 555746.6073 1.0529 0.9880 PRESSURE: 1457800 -174.064 93.7384 166.326 93.738 259.46 49.212 166.326 49.213 65.4616 GPRESSURE: 1457800 -148.274 109.632 128.905 106.42 229.283 30.0745 148.998 30.3529 170.066 PRESSAVG: 1457800 -31.3943 12.9238 27.4642 12.9237 7.37111 17.7997 27.4642 17.7997 -18.9437 GPRESSAVG: 1457800 -31.8132 10.721 28.8285 14.6391 7.12654 13.9794 26.4781 18.4331 -18.3888 TIMING: 1457800 CPU: 4390.01, 0.00298819/step Wall: 4390.01, 0.00298819/step, 2.94022 hours remaining, 206.992188 MB of memory in use. ENERGY: 1457800 720.8833 2088.7554 1934.4656 112.1070 -206052.0033 17856.0332 0.0000 0.0000 34286.6606 -149053.0981 299.4339 -183339.7587 -148950.8993 300.1632 50.2860 83.6915 557728.2058 -14.3223 -14.3585 PRESSURE: 1458000 53.2674 -18.5595 -63.0076 -18.5608 -176.335 8.2429 -63.0085 8.24384 -121.796 GPRESSURE: 1458000 91.7979 -65.1196 0.387991 -94.4726 -154.542 -11.789 -78.7349 110.542 -91.4961 PRESSAVG: 1458000 5.0904 -12.6528 32.1507 -12.6527 36.6851 -11.2966 32.1508 -11.2964 -2.94842 GPRESSAVG: 1458000 5.55749 -10.5097 30.2135 -15.6801 36.8788 -9.7969 33.3541 -9.85777 -3.52597 TIMING: 1458000 CPU: 4390.61, 0.00299961/step Wall: 4390.61, 0.00299961/step, 2.95129 hours remaining, 206.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1458000 793.5171 2133.9268 1942.3324 115.7750 -206376.3672 17817.2285 0.0000 0.0000 34537.4914 -149036.0959 301.6245 -183573.5873 -148939.3426 300.1614 -81.6210 -51.4134 556565.4144 12.9423 12.9701 PRESSURE: 1458200 234.039 -152.455 5.02092 -152.455 228.262 55.268 5.02023 55.2663 231.072 GPRESSURE: 1458200 256.389 -125.04 104.451 -146.704 296.676 58.1124 -82.5032 -5.1922 251.423 PRESSAVG: 1458200 22.9505 -31.4947 32.6445 -31.4946 -14.4819 -33.3338 32.6445 -33.3338 -5.22959 GPRESSAVG: 1458200 21.8376 -31.6718 34.733 -30.8725 -14.0673 -31.4483 29.7662 -34.1294 -5.0392 TIMING: 1458200 CPU: 4391.22, 0.00302633/step Wall: 4391.22, 0.00302633/step, 2.97741 hours remaining, 206.992188 MB of memory in use. ENERGY: 1458200 779.3441 2056.7130 1950.5571 120.7248 -206556.0056 18071.4172 0.0000 0.0000 34530.1451 -149047.1044 301.5603 -183577.2495 -148951.6480 300.6195 231.1243 268.1627 557159.4243 1.0797 0.9104 PRESSURE: 1458400 81.8551 -74.0326 155.664 -74.0328 -94.3517 78.2935 155.664 78.2937 132.862 GPRESSURE: 1458400 139.99 -89.4515 140.48 -14.5716 -66.3116 101.318 90.7322 20.3002 145.262 PRESSAVG: 1458400 18.0634 -45.7937 32.5899 -45.7937 -30.9335 28.7009 32.5899 28.7009 9.42503 GPRESSAVG: 1458400 18.6197 -46.5616 30.4143 -45.6761 -30.8507 27.619 35.2972 28.0424 9.18296 TIMING: 1458400 CPU: 4391.82, 0.00302026/step Wall: 4391.82, 0.00302026/step, 2.97127 hours remaining, 206.992188 MB of memory in use. ENERGY: 1458400 732.4002 2123.8253 1933.4023 117.2075 -206389.7197 17846.0283 0.0000 0.0000 34385.1465 -149251.7096 300.2940 -183636.8561 -149151.4268 299.9160 40.1219 72.9800 558042.4371 -1.1483 -1.0160 PRESSURE: 1458600 272.945 84.7735 2.05913 84.7718 82.7679 -86.6442 2.05786 -86.6445 -70.0495 GPRESSURE: 1458600 296.579 116.697 -94.7704 54.1689 126.553 -77.5941 68.1698 -163.346 -38.699 PRESSAVG: 1458600 21.7831 6.13175 37.2405 6.13175 -32.5864 -40.6584 37.2405 -40.6585 33.3692 GPRESSAVG: 1458600 21.243 6.82024 35.9611 6.33101 -32.8416 -43.0023 38.9413 -39.3841 33.7677 TIMING: 1458600 CPU: 4392.43, 0.00304138/step Wall: 4392.43, 0.00304138/step, 2.99188 hours remaining, 206.992188 MB of memory in use. ENERGY: 1458600 754.5989 2090.4086 1929.4924 105.0113 -206346.1990 17903.6705 0.0000 0.0000 34329.8215 -149233.1957 299.8109 -183563.0173 -149135.4549 299.7083 95.2211 128.1443 556254.5892 7.5220 7.3897 PRESSURE: 1458800 -203.77 -115.945 -279.993 -115.945 16.691 49.4641 -279.991 49.4642 -138.358 GPRESSURE: 1458800 -191.215 -130.057 -245.968 -113.638 21.6194 102.418 -236.777 87.6081 -61.4488 PRESSAVG: 1458800 3.07796 -18.7595 -24.3498 -18.7595 13.1135 3.85222 -24.3498 3.85223 20.8276 GPRESSAVG: 1458800 3.66791 -18.7265 -20.8358 -18.2813 13.3979 4.73825 -28.2647 1.75415 20.795 TIMING: 1458800 CPU: 4393.04, 0.00304141/step Wall: 4393.04, 0.00304141/step, 2.99173 hours remaining, 206.992188 MB of memory in use. ENERGY: 1458800 759.5730 2118.8700 1925.3836 103.3419 -205902.9167 17546.8830 0.0000 0.0000 34172.5215 -149276.3437 298.4371 -183448.8653 -149185.2803 299.2108 -108.4788 -77.0148 555913.0590 12.3397 12.6203 PRESSURE: 1459000 -26.2332 76.8844 -77.8595 76.8844 26.0606 -138.73 -77.8597 -138.732 -274.915 GPRESSURE: 1459000 41.6854 116.227 -163.045 92.4469 -37.5793 -177.938 -87.634 -28.0901 -177.876 PRESSAVG: 1459000 24.2294 -43.5536 -70.3143 -43.5537 -48.1671 11.1791 -70.3143 11.1791 10.8442 GPRESSAVG: 1459000 24.261 -43.8604 -71.2644 -43.2151 -49.3566 11.4339 -68.1011 13.0599 11.6115 TIMING: 1459000 CPU: 4393.65, 0.00303859/step Wall: 4393.65, 0.00303859/step, 2.9888 hours remaining, 206.992188 MB of memory in use. ENERGY: 1459000 744.7672 2144.4461 1950.0084 117.2953 -206275.7048 17771.5355 0.0000 0.0000 34246.2597 -149301.3926 299.0811 -183547.6523 -149202.3502 298.9232 -91.6957 -57.9234 557235.1223 -4.3645 -4.4947 PRESSURE: 1459200 19.2235 41.443 -68.8299 41.4435 -98.5289 68.9043 -68.8294 68.9048 -79.809 GPRESSURE: 1459200 74.4583 68.5731 -79.4646 -43.6037 -33.8502 81.1696 -101.932 61.1749 -100.623 PRESSAVG: 1459200 -13.8983 -2.03052 -73.482 -2.03053 64.4253 26.8793 -73.4821 26.8793 -59.7338 GPRESSAVG: 1459200 -14.2928 -1.082 -72.6301 -1.36756 64.7042 27.9726 -72.6075 26.3281 -59.0707 TIMING: 1459200 CPU: 4394.25, 0.00303562/step Wall: 4394.25, 0.00303562/step, 2.9857 hours remaining, 207.050781 MB of memory in use. ENERGY: 1459200 743.8525 2073.2827 1928.4161 101.4123 -206385.6999 17984.2305 0.0000 0.0000 34246.6637 -149307.8420 299.0846 -183554.5057 -149213.6886 299.4589 -53.0381 -20.0049 558149.4061 -3.0689 -2.8864 PRESSURE: 1459400 -152.852 104.36 -49.4557 104.361 -103.797 -174.45 -49.4549 -174.45 -36.3666 GPRESSURE: 1459400 -125.5 80.647 -125.541 101.75 -67.3739 -83.4425 -47.6419 -183.891 -4.90729 PRESSAVG: 1459400 33.0329 42.5375 -4.23484 42.5376 3.14925 4.00419 -4.23481 4.00419 -36.097 GPRESSAVG: 1459400 32.8053 42.6004 -5.34385 41.4769 4.07105 4.71427 -5.02795 2.58517 -36.5997 TIMING: 1459400 CPU: 4394.86, 0.00301374/step Wall: 4394.86, 0.00301374/step, 2.96402 hours remaining, 207.050781 MB of memory in use. ENERGY: 1459400 726.0607 2083.4182 1939.5543 112.6498 -206295.2004 17735.3515 0.0000 0.0000 34396.8964 -149301.2696 300.3967 -183698.1660 -149199.3651 300.0766 -97.6719 -65.9272 557705.8161 0.0284 0.0922 PRESSURE: 1459600 -249.177 -65.6819 160.783 -65.6813 78.2857 -39.1593 160.784 -39.1601 -78.3523 GPRESSURE: 1459600 -249.861 -61.9197 173.371 -128.7 108.057 5.65564 172.878 -67.9499 -22.4102 PRESSAVG: 1459600 28.5323 66.8484 7.8626 66.8484 -1.17439 -40.5444 7.86257 -40.5446 -46.8004 GPRESSAVG: 1459600 28.7556 67.1867 8.59749 66.5286 -0.425882 -42.0767 7.21742 -39.0552 -48.0666 TIMING: 1459600 CPU: 4395.46, 0.0030301/step Wall: 4395.46, 0.0030301/step, 2.97994 hours remaining, 207.050781 MB of memory in use. ENERGY: 1459600 722.6253 2112.6044 1926.8927 109.2870 -206016.1227 17624.4868 0.0000 0.0000 34397.5621 -149122.6644 300.4025 -183520.2265 -149030.5012 299.1010 -83.0811 -54.7383 558868.5792 -6.4808 -6.5789 PRESSURE: 1459800 -254.677 126.374 -67.5506 126.375 67.3573 -23.5413 -67.5497 -23.5416 -274.433 GPRESSURE: 1459800 -300.265 103.702 -146.852 44.1582 134.126 1.27494 34.17 15.6034 -198.75 PRESSAVG: 1459800 4.13085 8.94786 2.9118 8.94788 30.3011 -24.4541 2.91172 -24.4541 -11.8531 GPRESSAVG: 1459800 3.49579 8.14531 2.74447 9.40126 29.8944 -25.1473 4.73025 -23.9601 -11.1341 TIMING: 1459800 CPU: 4396.06, 0.00300816/step Wall: 4396.06, 0.00300816/step, 2.95819 hours remaining, 207.050781 MB of memory in use. ENERGY: 1459800 741.6801 2078.9903 1902.6948 99.1361 -205818.0431 17586.1194 0.0000 0.0000 34358.1452 -149051.2770 300.0582 -183409.4222 -148948.8767 298.9485 -153.9175 -121.6296 559060.9135 7.5263 7.4187 PRESSURE: 1460000 182.55 117.694 31.2861 117.693 217.823 83.8692 31.2849 83.8685 249.052 GPRESSURE: 1460000 216.836 75.5939 45.2163 160.882 194.672 160.215 -2.88332 -18.9239 343.296 PRESSAVG: 1460000 -48.7851 14.6064 16.6047 14.6065 -6.01494 -22.6004 16.6048 -22.6005 24.6785 GPRESSAVG: 1460000 -48.2805 14.4793 16.5243 14.7583 -4.7132 -21.2177 15.4566 -23.2709 23.8698 TIMING: 1460000 CPU: 4396.67, 0.003042/step Wall: 4396.67, 0.003042/step, 2.9913 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: 1460000 727.0746 2104.0385 1930.7872 118.7802 -206243.9444 18131.3754 0.0000 0.0000 34315.9719 -148915.9166 299.6899 -183231.8885 -148819.9752 300.0039 216.4749 251.6014 558706.4943 -10.0405 -9.7080 PRESSURE: 1460200 -77.7747 -269.03 141.631 -269.03 6.52039 87.1 141.631 87.0975 -15.9404 GPRESSURE: 1460200 -1.05534 -233.342 102.53 -237.586 33.1478 5.46641 182.395 84.6579 -14.381 PRESSAVG: 1460200 7.85194 -32.1691 60.1423 -32.1691 -45.2751 -41.454 60.1423 -41.454 13.3385 GPRESSAVG: 1460200 8.41808 -32.4013 60.6477 -31.8065 -45.7719 -42.7063 60.6195 -40.0206 13.5644 TIMING: 1460200 CPU: 4397.27, 0.00299834/step Wall: 4397.27, 0.00299834/step, 2.9482 hours remaining, 207.050781 MB of memory in use. ENERGY: 1460200 722.8289 2074.7065 1924.6552 102.8383 -206024.0454 17917.4041 0.0000 0.0000 34430.2098 -148851.4025 300.6876 -183281.6124 -148754.1877 300.4688 -29.0649 5.9038 559645.3382 -8.0282 -7.9298 LDB: ============= START OF LOAD BALANCING ============== 4400.79 LDB: ============== END OF LOAD BALANCING =============== 4400.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4400.79 LDB: ============= START OF LOAD BALANCING ============== 4401.1 LDB: Largest compute 4800 load 0.030555 is 25.9% of average load 0.117813 LDB: Average compute 0.001729 is 1.5% of average load 0.117813 LDB: TIME 4401.1 LOAD: AVG 0.117813 MAX 0.217953 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.504 MB LDB: TIME 4401.1 LOAD: AVG 0.117813 MAX 0.217953 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.504 MB LDB: TIME 4401.1 LOAD: AVG 0.117813 MAX 0.217953 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.504 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4401.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4401.11 PRESSURE: 1460400 -193.024 -165.896 32.584 -165.896 20.1096 20.5644 32.5833 20.5656 34.9832 GPRESSURE: 1460400 -204.985 -114.919 69.9898 -217.381 63.5913 44.3031 -30.9217 46.3102 103.426 PRESSAVG: 1460400 1.00366 -27.9836 45.2569 -27.9835 -44.9433 -4.36423 45.2569 -4.3643 19.173 GPRESSAVG: 1460400 -0.453629 -27.6011 44.9654 -30.2938 -45.2125 -2.838 43.7803 -6.41102 20.9483 TIMING: 1460400 CPU: 4397.89, 0.00308344/step Wall: 4397.89, 0.00308344/step, 3.0317 hours remaining, 207.816406 MB of memory in use. ENERGY: 1460400 737.3042 2054.6264 1912.1697 106.3609 -205827.7063 17809.8662 0.0000 0.0000 34330.9348 -148876.4441 299.8206 -183207.3789 -148779.5770 299.9035 -45.9770 -12.6559 558947.0072 -8.2555 -8.2393 PRESSURE: 1460600 165.36 38.147 111.836 38.1476 -187.541 -110.735 111.835 -110.734 46.6573 GPRESSURE: 1460600 187.469 -5.08323 44.225 86.0274 -142.581 -51.8229 158.847 -98.0779 72.8635 PRESSAVG: 1460600 -24.7168 -38.6036 -2.69945 -38.6035 1.3559 34.8261 -2.69953 34.8262 -2.15989 GPRESSAVG: 1460600 -23.6937 -38.7664 -2.67311 -36.8286 1.22851 33.757 -1.40214 35.2442 -3.27943 TIMING: 1460600 CPU: 4398.5, 0.00304018/step Wall: 4398.5, 0.00304018/step, 2.98901 hours remaining, 208.019531 MB of memory in use. ENERGY: 1460600 766.9878 2095.6294 1907.6830 108.3970 -205625.7621 17626.6681 0.0000 0.0000 34320.4675 -148799.9294 299.7292 -183120.3969 -148706.7700 300.4737 8.1587 39.2507 558070.7246 -8.5069 -8.5815 PRESSURE: 1460800 22.3984 100.87 169.482 100.869 307.469 170.773 169.483 170.775 -87.6738 GPRESSURE: 1460800 72.1136 23.9915 197.073 54.2135 325.213 84.2415 113.59 133.781 -57.9754 PRESSAVG: 1460800 16.1954 -57.2796 15.7189 -57.2797 13.3006 34.1755 15.7191 34.1754 28.6037 GPRESSAVG: 1460800 15.3749 -56.5252 15.7397 -60.0581 13.9899 33.9932 15.3914 33.4305 28.622 TIMING: 1460800 CPU: 4399.11, 0.00306361/step Wall: 4399.11, 0.00306361/step, 3.01187 hours remaining, 208.019531 MB of memory in use. ENERGY: 1460800 737.0473 2063.4874 1935.7064 119.1729 -205886.0017 17863.4813 0.0000 0.0000 34418.7481 -148748.3582 300.5875 -183167.1064 -148649.2010 300.7638 80.7311 113.1172 557819.8209 19.3665 19.3289 PRESSURE: 1461000 -45.7739 101.902 31.1383 101.901 -122.311 61.3912 31.1386 61.3923 -0.185859 GPRESSURE: 1461000 -14.7756 30.3003 80.9254 175.493 -91.3615 94.8496 -38.1922 57.6074 38.2131 PRESSAVG: 1461000 -33.4601 29.0758 14.646 29.0758 -3.59875 21.7179 14.646 21.718 -1.64122 GPRESSAVG: 1461000 -33.8703 27.5884 14.4623 31.3514 -3.60521 20.8578 15.784 24.1128 -1.19881 TIMING: 1461000 CPU: 4399.71, 0.00301283/step Wall: 4399.71, 0.00301283/step, 2.96178 hours remaining, 208.019531 MB of memory in use. ENERGY: 1461000 774.1455 2098.4874 1915.3826 103.1334 -205814.5409 17762.6931 0.0000 0.0000 34344.0028 -148816.6961 299.9347 -183160.6989 -148719.4363 301.0571 -56.0902 -22.6413 558311.1380 -12.9000 -12.8914 PRESSURE: 1461200 -15.0568 -25.495 11.2332 -25.4958 21.8047 -97.1557 11.2314 -97.1548 -259.336 GPRESSURE: 1461200 31.4629 -21.3652 -25.119 -84.0167 12.5353 -38.9432 -27.6533 -142.282 -206.84 PRESSAVG: 1461200 65.5059 35.5764 -15.3541 35.5763 -33.3929 -27.8969 -15.354 -27.8968 -44.9398 GPRESSAVG: 1461200 65.8135 37.5299 -15.5792 35.9365 -34.4343 -25.2527 -15.4719 -30.8754 -44.8434 TIMING: 1461200 CPU: 4400.32, 0.00302145/step Wall: 4400.32, 0.00302145/step, 2.97009 hours remaining, 208.019531 MB of memory in use. ENERGY: 1461200 739.3091 2068.2971 1929.0748 104.4740 -205924.1008 17803.0336 0.0000 0.0000 34633.9039 -148646.0083 302.4665 -183279.9122 -148548.4777 300.7930 -84.1960 -54.2806 559364.0344 -4.2756 -4.4881 PRESSURE: 1461400 81.6287 -40.4647 41.2076 -40.4645 -5.41361 4.97526 41.2078 4.97497 236.343 GPRESSURE: 1461400 143.565 -66.2111 135.464 -79.2937 76.6611 -59.2031 -72.151 16.8621 197.779 PRESSAVG: 1461400 -1.82492 11.5866 -7.0485 11.5866 27.2162 -42.1146 -7.04847 -42.1146 -28.5988 GPRESSAVG: 1461400 -1.46536 9.64211 -6.1307 12.2946 27.7467 -44.2871 -8.68487 -41.2528 -29.8516 TIMING: 1461400 CPU: 4400.93, 0.00304763/step Wall: 4400.93, 0.00304763/step, 2.99565 hours remaining, 208.019531 MB of memory in use. ENERGY: 1461400 775.1695 2070.1989 1953.3371 112.8889 -206105.5622 17964.5347 0.0000 0.0000 34537.2084 -148692.2246 301.6220 -183229.4330 -148594.7510 301.3258 104.1860 139.3351 557754.0514 -1.0692 -1.1901 PRESSURE: 1461600 -366.297 66.5373 -111.478 66.5363 -169.775 23.1384 -111.477 23.1364 -384.782 GPRESSURE: 1461600 -343.059 84.3558 -167.981 137.971 -166.114 -10.4254 -36.6612 -49.6205 -316.302 PRESSAVG: 1461600 24.3872 -1.92536 15.5807 -1.92534 7.78556 28.2833 15.5807 28.2832 -36.574 GPRESSAVG: 1461600 23.617 -0.0246779 13.3515 -2.30288 6.63583 27.3747 17.4963 29.1638 -34.9713 TIMING: 1461600 CPU: 4401.54, 0.00306311/step Wall: 4401.54, 0.00306311/step, 3.0107 hours remaining, 208.019531 MB of memory in use. ENERGY: 1461600 768.8395 2071.6360 1930.4099 124.6822 -205515.1732 17472.5275 0.0000 0.0000 34516.9969 -148630.0813 301.4455 -183147.0781 -148530.4589 301.0706 -306.9512 -275.1584 560270.7668 -1.4671 -1.5728 PRESSURE: 1461800 -123.391 54.886 -61.7938 54.8865 -432.021 131.177 -61.7941 131.176 -52.6929 GPRESSURE: 1461800 -80.4552 110.175 -117.139 52.6665 -328.502 182.405 32.9164 190.476 -110.083 PRESSAVG: 1461800 -61.5181 -0.304753 38.7439 -0.304762 4.79134 -5.61299 38.744 -5.61298 31.9593 GPRESSAVG: 1461800 -61.01 -1.11698 40.4396 0.0620795 4.1247 -2.98219 37.9087 -7.36074 31.7359 TIMING: 1461800 CPU: 4402.14, 0.00302276/step Wall: 4402.14, 0.00302276/step, 2.97087 hours remaining, 208.019531 MB of memory in use. ENERGY: 1461800 750.0413 2084.1566 1922.5528 121.4506 -205453.8077 17349.5906 0.0000 0.0000 34678.6899 -148547.3259 302.8576 -183226.0158 -148438.8542 301.2003 -202.7016 -173.0131 558435.0720 -8.2558 -8.3831 PRESSURE: 1462000 -39.9881 59.3091 65.3641 59.3097 -4.09708 82.1894 65.3641 82.1876 -381.817 GPRESSURE: 1462000 -54.2478 130.155 50.4549 117.633 28.2174 73.3399 61.7502 -9.9429 -302.613 PRESSAVG: 1462000 -22.1485 3.82134 28.5922 3.82127 39.4948 19.6414 28.5923 19.6413 -18.6366 GPRESSAVG: 1462000 -22.4713 4.16821 27.2445 4.10108 40.4596 18.1279 29.9991 19.3064 -18.5701 TIMING: 1462000 CPU: 4402.74, 0.00300129/step Wall: 4402.74, 0.00300129/step, 2.9496 hours remaining, 208.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1462000 800.9825 2079.6678 1910.2391 94.3048 -205520.4510 17623.9500 0.0000 0.0000 34527.4570 -148483.8497 301.5369 -183011.3067 -148387.7332 301.5110 -141.9673 -109.5477 558289.7646 -0.4301 -0.1940 PRESSURE: 1462200 182.166 -81.3086 -77.5959 -81.3089 115.852 218.097 -77.5957 218.097 -46.859 GPRESSURE: 1462200 189.021 -63.4397 -129.273 -128.801 148.717 250.28 -100.119 218.216 15.6437 PRESSAVG: 1462200 -6.3112 14.2107 0.777162 14.2108 42.5115 58.6675 0.777103 58.6675 -40.2897 GPRESSAVG: 1462200 -5.97651 13.4596 1.90478 13.6603 44.0429 60.4706 -0.386312 59.5501 -40.7871 TIMING: 1462200 CPU: 4403.35, 0.00301319/step Wall: 4403.35, 0.00301319/step, 2.96113 hours remaining, 208.019531 MB of memory in use. ENERGY: 1462200 753.1250 2115.8520 1918.0421 114.8064 -205677.9125 17878.0904 0.0000 0.0000 34329.5287 -148568.4680 299.8083 -182897.9967 -148472.1741 301.4812 83.7196 117.7941 558030.4762 -1.3631 -0.9069 PRESSURE: 1462400 155.399 -102.629 34.8652 -102.629 -95.2262 88.9651 34.8661 88.9637 17.6773 GPRESSURE: 1462400 186.562 -10.8327 -25.7603 -119.253 -49.8519 39.6175 71.4997 154.688 49.415 PRESSAVG: 1462400 66.0655 22.406 -29.9438 22.406 -40.9094 36.7304 -29.9438 36.7303 -29.044 GPRESSAVG: 1462400 66.2353 22.3235 -29.85 24.2031 -42.0948 35.1273 -31.076 38.6205 -28.0183 TIMING: 1462400 CPU: 4403.95, 0.00302336/step Wall: 4403.95, 0.00302336/step, 2.97096 hours remaining, 208.019531 MB of memory in use. ENERGY: 1462400 721.2358 2131.6709 1934.0302 104.5833 -205665.9679 17821.8958 0.0000 0.0000 34172.1290 -148780.4229 298.4337 -182952.5519 -148683.0411 300.6603 25.9499 62.0418 560036.0434 -1.2960 -1.2926 PRESSURE: 1462600 -110.026 147.778 -63.9358 147.777 -188.398 -15.832 -63.9354 -15.8316 136.864 GPRESSURE: 1462600 -58.5127 101.55 -93.7763 168.746 -161.477 -65.102 -164.419 35.7469 157.303 PRESSAVG: 1462600 43.0135 -23.6845 -49.1766 -23.6845 -25.4423 -17.9197 -49.1766 -17.9198 -28.4991 GPRESSAVG: 1462600 43.9486 -24.3477 -48.3029 -23.9591 -25.8318 -17.1086 -50.4448 -19.9329 -29.8808 TIMING: 1462600 CPU: 4404.56, 0.00303738/step Wall: 4404.56, 0.00303738/step, 2.98457 hours remaining, 208.019531 MB of memory in use. ENERGY: 1462600 696.6510 2124.6688 1946.8914 121.0919 -205935.6495 17720.1959 0.0000 0.0000 34405.8313 -148920.3192 300.4747 -183326.1506 -148825.4502 300.2310 -53.8535 -20.8954 559278.5893 -3.6426 -3.9213 PRESSURE: 1462800 -193.199 -218.452 -163.326 -218.452 99.715 101.905 -163.325 101.904 -298.441 GPRESSURE: 1462800 -181.165 -242.916 -88.1049 -258.601 174.791 76.8575 -217.388 136.977 -310.657 PRESSAVG: 1462800 -39.9792 5.57506 20.8391 5.57514 51.5409 -3.77245 20.8391 -3.77251 -0.559859 GPRESSAVG: 1462800 -41.6531 6.47281 21.1137 3.21211 52.4655 -3.53884 20.0015 -3.6241 0.0827311 TIMING: 1462800 CPU: 4405.16, 0.00301624/step Wall: 4405.16, 0.00301624/step, 2.96362 hours remaining, 208.019531 MB of memory in use. ENERGY: 1462800 722.6086 2096.9485 1937.4068 114.0309 -205930.3046 17572.7281 0.0000 0.0000 34492.6735 -148993.9082 301.2331 -183486.5818 -148900.1650 300.2347 -130.6417 -105.6767 557852.5262 3.6673 3.6317 PRESSURE: 1463000 19.857 -29.3489 116.216 -29.3488 13.986 -19.7345 116.217 -19.7332 32.952 GPRESSURE: 1463000 34.2397 -107.677 85.341 -58.575 71.1939 15.4717 132.067 -70.3373 74.2433 PRESSAVG: 1463000 32.0571 3.23975 9.53592 3.23973 13.2742 -31.966 9.53592 -31.9659 -59.6013 GPRESSAVG: 1463000 32.4352 3.22515 10.3851 6.31942 12.53 -33.6267 13.0412 -29.6004 -59.0842 TIMING: 1463000 CPU: 4405.77, 0.00304122/step Wall: 4405.77, 0.00304122/step, 2.988 hours remaining, 208.019531 MB of memory in use. ENERGY: 1463000 715.7666 2135.0851 1931.7814 111.3719 -206210.2564 17906.2785 0.0000 0.0000 34431.3774 -148978.5956 300.6978 -183409.9730 -148882.2747 299.8561 22.2650 59.8923 557057.4274 -4.7567 -4.7064 PRESSURE: 1463200 104.775 99.3624 -59.6834 99.3624 168.357 -51.9255 -59.6844 -51.926 353.999 GPRESSURE: 1463200 156.162 197.321 -17.3081 104.078 216.984 13.6347 -26.9789 -46.8211 352.361 PRESSAVG: 1463200 44.5673 14.7566 70.5567 14.7566 -24.0349 23.5084 70.5567 23.5084 -11.2199 GPRESSAVG: 1463200 44.8173 14.9148 70.7078 14.0627 -24.4931 26.1297 68.2387 22.2747 -10.9581 TIMING: 1463200 CPU: 4406.38, 0.00305298/step Wall: 4406.38, 0.00305298/step, 2.99938 hours remaining, 208.019531 MB of memory in use. ENERGY: 1463200 726.4546 2051.8452 1961.9320 120.4146 -206266.1096 18183.6900 0.0000 0.0000 34328.4718 -148893.3015 299.7991 -183221.7733 -148797.9690 299.7705 209.0437 241.8355 557985.1191 3.1042 3.1221 PRESSURE: 1463400 58.1682 -77.0079 94.4905 -77.0062 -27.9763 25.6152 94.4892 25.6151 83.1428 GPRESSURE: 1463400 127.524 -65.7927 41.6236 -8.09517 20.825 87.0219 80.5364 -14.9352 40.717 PRESSAVG: 1463400 3.39346 -37.3024 68.5691 -37.3024 12.5005 -28.4307 68.5691 -28.4306 -47.5461 GPRESSAVG: 1463400 3.55568 -36.4888 66.1438 -37.5781 13.2467 -30.132 69.7416 -28.4696 -48.0828 TIMING: 1463400 CPU: 4406.98, 0.00301881/step Wall: 4406.98, 0.00301881/step, 2.96565 hours remaining, 208.019531 MB of memory in use. ENERGY: 1463400 732.4473 2073.0325 1926.4919 113.9348 -205883.6903 17660.2241 0.0000 0.0000 34450.7490 -148926.8107 300.8670 -183377.5597 -148829.9819 300.3378 37.7782 63.0221 557754.7679 -10.5507 -10.4268 PRESSURE: 1463600 204.972 10.7697 -21.271 10.7706 134.306 53.7224 -21.2724 53.723 7.78257 GPRESSURE: 1463600 281.585 70.221 -86.8217 3.95262 42.7901 46.3403 117.775 122.523 122.393 PRESSAVG: 1463600 16.3438 -26.9265 7.91923 -26.9264 -5.79409 27.1737 7.91918 27.1736 -16.1332 GPRESSAVG: 1463600 18.0257 -27.279 8.86883 -28.6697 -6.61369 26.6422 8.5205 25.5444 -16.9289 TIMING: 1463600 CPU: 4407.59, 0.00301187/step Wall: 4407.59, 0.00301187/step, 2.95866 hours remaining, 208.019531 MB of memory in use. ENERGY: 1463600 758.3164 2140.5261 1905.0582 115.5636 -206576.7067 18110.7213 0.0000 0.0000 34355.7636 -149190.7575 300.0374 -183546.5211 -149095.9048 300.0375 115.6869 148.9226 557042.2659 -1.8612 -1.8390 PRESSURE: 1463800 -75.6336 -208.939 77.7698 -208.939 16.4014 -43.799 77.769 -43.7978 -170.568 GPRESSURE: 1463800 -18.1113 -207.295 -20.1915 -224.545 25.6354 -66.2852 71.3607 -2.17755 -136.053 PRESSAVG: 1463800 34.8972 -15.4848 -26.7272 -15.4849 -4.92526 -10.5546 -26.7273 -10.5547 -1.30273 GPRESSAVG: 1463800 32.7621 -13.8953 -27.7584 -14.2745 -3.98772 -9.98234 -28.1868 -9.19757 -0.00013249 TIMING: 1463800 CPU: 4408.18, 0.00299274/step Wall: 4408.18, 0.00299274/step, 2.9397 hours remaining, 208.019531 MB of memory in use. ENERGY: 1463800 760.1669 2112.8705 1941.1874 119.6151 -205800.0967 17609.0364 0.0000 0.0000 34070.2655 -149186.9550 297.5441 -183257.2204 -149089.8065 299.8447 -76.6000 -42.8428 557120.5332 9.5564 9.5914 PRESSURE: 1464000 -54.0129 66.9096 -116.294 66.9106 105.831 23.6116 -116.295 23.6104 -133.016 GPRESSURE: 1464000 -11.0669 68.5563 -63.785 63.476 146.988 35.2199 -222.525 69.712 -108.978 PRESSAVG: 1464000 15.5689 -50.18 -26.2298 -50.18 -33.6736 -1.24288 -26.2297 -1.2427 16.497 GPRESSAVG: 1464000 16.6696 -49.3053 -25.2269 -51.8174 -34.3905 -3.80151 -26.002 -0.488715 16.5107 TIMING: 1464000 CPU: 4408.79, 0.0030121/step Wall: 4408.79, 0.0030121/step, 2.95855 hours remaining, 208.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1464000 758.3482 2066.4799 1925.0160 132.1670 -206268.6710 17788.0934 0.0000 0.0000 34492.3892 -149106.1774 301.2306 -183598.5666 -149001.0043 299.7275 -27.0659 8.9809 558513.4613 -0.5359 -0.4034 PRESSURE: 1464200 44.9166 43.7782 -111.036 43.7775 78.9338 -52.0735 -111.037 -52.0731 7.80521 GPRESSURE: 1464200 98.4031 37.5613 -87.4416 -6.76735 80.4654 24.2908 -86.5504 -79.7428 44.9554 PRESSAVG: 1464200 37.4641 46.5863 -7.63706 46.5863 -42.4225 18.8496 -7.63709 18.8497 27.7174 GPRESSAVG: 1464200 37.4888 45.539 -7.89667 48.7678 -43.0529 21.8504 -8.37174 15.1785 28.0828 TIMING: 1464200 CPU: 4409.39, 0.00301943/step Wall: 4409.39, 0.00301943/step, 2.96559 hours remaining, 208.019531 MB of memory in use. ENERGY: 1464200 743.0445 2085.9732 1924.8576 113.1414 -206231.9680 17949.2605 0.0000 0.0000 34128.4343 -149287.2567 298.0521 -183415.6910 -149193.7960 299.5684 43.8852 74.6080 557938.2698 7.5864 7.5063 LDB: ============= START OF LOAD BALANCING ============== 4412.91 LDB: ============== END OF LOAD BALANCING =============== 4412.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4412.91 LDB: ============= START OF LOAD BALANCING ============== 4413.21 LDB: Largest compute 4800 load 0.030129 is 25.6% of average load 0.117896 LDB: Average compute 0.001731 is 1.5% of average load 0.117896 LDB: TIME 4413.22 LOAD: AVG 0.117896 MAX 0.214377 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.789 MB LDB: TIME 4413.22 LOAD: AVG 0.117896 MAX 0.214377 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.793 MB LDB: TIME 4413.22 LOAD: AVG 0.117896 MAX 0.214377 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.793 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4413.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4413.22 PRESSURE: 1464400 -196.645 48.5615 -114.593 48.5608 2.84927 196.466 -114.594 196.464 -83.1843 GPRESSURE: 1464400 -110.035 115.923 -213.891 -1.48233 49.3354 154.381 -53.7645 201.401 -127.018 PRESSAVG: 1464400 -54.8633 35.7773 -16.7933 35.7773 26.5397 88.7578 -16.7933 88.7577 -4.81477 GPRESSAVG: 1464400 -54.7878 34.0208 -18.0725 36.9663 27.6255 88.6085 -14.7187 92.6604 -5.66102 TIMING: 1464400 CPU: 4410.01, 0.00307884/step Wall: 4410.01, 0.00307884/step, 3.02376 hours remaining, 208.140625 MB of memory in use. ENERGY: 1464400 720.9216 2109.5868 1930.9723 103.4585 -206322.2147 17838.6127 0.0000 0.0000 34203.7661 -149414.8968 298.7100 -183618.6629 -149317.1360 298.8445 -92.3266 -62.5728 559549.9971 -11.0461 -10.9411 PRESSURE: 1464600 -294.484 -159.232 76.4196 -159.231 -131.444 -41.4049 76.4191 -41.4052 -48.6813 GPRESSURE: 1464600 -285.555 -133.015 49.6702 -197.291 -62.1801 -26.2525 113.502 -17.7946 -31.2309 PRESSAVG: 1464600 -77.6367 52.7122 22.4839 52.7123 1.87761 71.0849 22.4839 71.0849 25.2734 GPRESSAVG: 1464600 -78.37 54.9675 23.0722 49.6174 1.95907 69.2539 18.9567 70.856 26.007 TIMING: 1464600 CPU: 4410.61, 0.00301539/step Wall: 4410.61, 0.00301539/step, 2.96128 hours remaining, 208.601562 MB of memory in use. ENERGY: 1464600 712.7769 2101.0718 1925.5391 117.4868 -206051.3968 17535.4510 0.0000 0.0000 34098.2055 -149560.8658 297.7881 -183659.0713 -149462.6172 298.0721 -158.2032 -126.3221 558812.1624 -16.8286 -16.8013 PRESSURE: 1464800 101.632 75.5296 -68.9563 75.5304 -169.103 -43.9497 -68.9557 -43.9491 -43.7087 GPRESSURE: 1464800 97.3978 -1.98887 -136.761 119.788 -117.772 -20.6762 -56.4219 -24.9095 1.81389 PRESSAVG: 1464800 13.9727 61.9992 -49.3288 61.9992 -13.6165 68.6635 -49.3287 68.6634 7.82741 GPRESSAVG: 1464800 13.7764 60.3045 -48.6922 64.1612 -14.4849 69.195 -47.8419 66.4812 8.5284 TIMING: 1464800 CPU: 4411.21, 0.0030112/step Wall: 4411.21, 0.0030112/step, 2.957 hours remaining, 208.601562 MB of memory in use. ENERGY: 1464800 766.0047 2068.0396 1895.6594 105.1787 -206631.8405 17988.3158 0.0000 0.0000 34270.5258 -149538.1165 299.2930 -183808.6423 -149445.8353 298.7594 -37.0601 -6.1868 557251.5929 2.7279 2.6067 PRESSURE: 1465000 2.6378 -38.0005 -115.242 -38.0006 77.9259 67.9103 -115.243 67.9097 -110.14 GPRESSURE: 1465000 31.353 -136.384 -103.132 -4.13488 84.9529 68.7366 -151.253 102.512 -49.2198 PRESSAVG: 1465000 16.8921 23.1641 -21.6836 23.1641 -41.1531 -10.4157 -21.6836 -10.4157 8.04089 GPRESSAVG: 1465000 17.1887 23.7612 -22.3203 23.4085 -41.2524 -10.2004 -21.3277 -8.71185 8.30977 TIMING: 1465000 CPU: 4411.81, 0.0030078/step Wall: 4411.81, 0.0030078/step, 2.95349 hours remaining, 208.601562 MB of memory in use. ENERGY: 1465000 765.0310 2087.9125 1948.2192 108.4324 -206238.4658 17776.7243 0.0000 0.0000 34092.4536 -149459.6930 297.7379 -183552.1465 -149369.2337 298.4339 -9.8587 22.3620 556479.1567 -5.4067 -5.2513 PRESSURE: 1465200 -157.507 81.2151 -147.428 81.2155 -233.251 -206.789 -147.427 -206.79 -173.133 GPRESSURE: 1465200 -121.34 123.971 -85.2308 -39.2621 -215.39 -154.545 -180.865 -196.436 -125.852 PRESSAVG: 1465200 19.7296 -21.8165 -35.0521 -21.8164 8.61067 -63.1505 -35.0521 -63.1506 -38.6724 GPRESSAVG: 1465200 18.8737 -22.0946 -31.7752 -25.1303 9.00707 -62.1223 -36.8776 -63.4388 -39.1057 TIMING: 1465200 CPU: 4412.41, 0.0030046/step Wall: 4412.41, 0.0030046/step, 2.95018 hours remaining, 208.671875 MB of memory in use. ENERGY: 1465200 774.9220 2148.7584 1900.8475 110.5500 -206350.4073 17783.2551 0.0000 0.0000 34315.8621 -149316.2123 299.6890 -183632.0744 -149210.2566 299.4068 -187.9637 -154.1942 558641.7484 -3.4440 -3.7416 PRESSURE: 1465400 -212.794 101.812 -10.0393 101.813 -184.14 -7.81638 -10.0384 -7.81568 -289.079 GPRESSURE: 1465400 -191.561 140.525 63.4103 32.8675 -173.583 -36.3341 -35.2762 -55.2949 -220.855 PRESSAVG: 1465400 40.4627 28.3766 -31.4406 28.3764 -25.793 -31.9541 -31.4406 -31.9542 -21.153 GPRESSAVG: 1465400 41.246 28.9014 -33.4108 31.9925 -25.8129 -34.0799 -30.6501 -31.2509 -22.1064 TIMING: 1465400 CPU: 4413.01, 0.00297865/step Wall: 4413.01, 0.00297865/step, 2.92454 hours remaining, 208.671875 MB of memory in use. ENERGY: 1465400 738.1447 2090.2536 1958.2982 119.0228 -205970.7803 17633.3400 0.0000 0.0000 34267.3725 -149164.3485 299.2655 -183431.7210 -149069.4884 299.2401 -228.6709 -195.3329 559041.8184 -2.1611 -2.2244 PRESSURE: 1465600 9.68419 -108.041 -113.553 -108.04 39.8351 -37.3806 -113.554 -37.3826 -92.468 GPRESSURE: 1465600 2.12615 -93.9199 -108.149 -125.964 66.023 -72.8192 -128.503 -32.8682 -21.3784 PRESSAVG: 1465600 -22.4985 52.3307 -52.8136 52.3306 85.7011 2.93377 -52.8136 2.93378 -47.3196 GPRESSAVG: 1465600 -22.7408 48.9863 -53.3607 53.4841 86.1392 4.1794 -52.1358 2.6864 -47.7841 TIMING: 1465600 CPU: 4413.61, 0.00301556/step Wall: 4413.61, 0.00301556/step, 2.96061 hours remaining, 208.671875 MB of memory in use. ENERGY: 1465600 766.6053 2125.0186 1936.0664 118.7279 -206422.6435 17935.8656 0.0000 0.0000 34360.2080 -149180.1519 300.0762 -183540.3598 -149080.0801 299.5662 -14.3162 15.5902 557587.8939 5.2944 5.2048 PRESSURE: 1465800 -131.07 -13.8609 -68.599 -13.8609 -247.507 15.7796 -68.5994 15.7798 -2.54377 GPRESSURE: 1465800 -98.0731 -42.1149 -126.39 68.953 -214.269 35.71 -25.2793 -135.961 31.3283 PRESSAVG: 1465800 -3.68546 2.51582 -1.23908 2.51576 -29.2185 -60.7886 -1.23907 -60.7885 -1.36598 GPRESSAVG: 1465800 -2.38804 5.70464 -0.554078 -0.550154 -30.4027 -60.7292 -2.08224 -63.0456 -1.75761 TIMING: 1465800 CPU: 4414.22, 0.00300882/step Wall: 4414.22, 0.00300882/step, 2.95382 hours remaining, 208.671875 MB of memory in use. ENERGY: 1465800 745.0190 2029.1942 1941.2139 119.3325 -206190.4245 17778.4881 0.0000 0.0000 34247.9947 -149329.1821 299.0963 -183577.1768 -149229.8308 299.6575 -127.0402 -93.6713 557795.3949 -11.4233 -11.5161 PRESSURE: 1466000 69.0632 -201.819 11.9795 -201.82 -218.473 -24.472 11.9793 -24.473 62.6611 GPRESSURE: 1466000 124.919 -190.557 56.9979 -176.192 -225.86 -25.93 34.9424 -102.457 93.7295 PRESSAVG: 1466000 -48.5321 62.3571 -11.1417 62.3571 -61.0888 14.0228 -11.1418 14.0228 92.0717 GPRESSAVG: 1466000 -49.6513 61.7392 -10.7335 63.0524 -60.2959 13.5824 -11.2901 15.3785 92.0678 TIMING: 1466000 CPU: 4414.82, 0.00300192/step Wall: 4414.82, 0.00300192/step, 2.94689 hours remaining, 208.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1466000 773.9131 2113.3205 1929.6029 123.0546 -206132.9939 17797.3638 0.0000 0.0000 34276.2630 -149119.4759 299.3431 -183395.7389 -149022.7613 299.6879 -28.9164 -2.4037 556851.9514 -5.8497 -5.9598 PRESSURE: 1466200 -61.2931 40.1087 23.1863 40.1086 -82.3475 -47.1363 23.1842 -47.1362 -11.1129 GPRESSURE: 1466200 23.2354 -71.8914 79.7992 95.3093 -66.1623 -4.09519 -54.9764 -147.055 2.58515 PRESSAVG: 1466200 31.6423 17.7466 -3.99776 17.7465 -51.2491 -10.4728 -3.99776 -10.4728 38.0554 GPRESSAVG: 1466200 31.7521 16.5852 -5.09795 20.2152 -51.8047 -9.94805 -2.49777 -9.79725 38.7401 TIMING: 1466200 CPU: 4415.41, 0.00299426/step Wall: 4415.41, 0.00299426/step, 2.9392 hours remaining, 208.671875 MB of memory in use. ENERGY: 1466200 758.7459 2049.7602 1943.7733 110.2320 -205951.5713 17738.8025 0.0000 0.0000 34320.5861 -149029.6713 299.7302 -183350.2574 -148937.2800 299.6341 -51.5845 -13.4473 557612.5389 6.1496 6.2292 PRESSURE: 1466400 22.0987 75.603 55.1225 75.6023 -17.7625 -42.7971 55.1227 -42.7956 -113.943 GPRESSURE: 1466400 51.3107 9.96531 11.1805 95.1272 -3.14595 -46.905 93.8815 -62.8598 -72.9047 PRESSAVG: 1466400 12.6554 68.1035 -81.1893 68.1035 -39.4139 -35.5401 -81.1892 -35.5401 14.2878 GPRESSAVG: 1466400 12.6563 67.4201 -81.7186 66.3854 -39.2638 -35.7041 -80.6127 -36.8514 14.3819 TIMING: 1466400 CPU: 4416.02, 0.00301406/step Wall: 4416.02, 0.00301406/step, 2.95847 hours remaining, 208.671875 MB of memory in use. ENERGY: 1466400 716.7346 2108.5436 1927.9889 107.4599 -206175.0936 17847.8939 0.0000 0.0000 34370.8795 -149095.5932 300.1694 -183466.4727 -148996.1048 299.8651 -36.5358 -8.2466 557593.0338 -4.1569 -4.0752 PRESSURE: 1466600 111.539 151.665 117.705 151.665 20.1494 57.411 117.706 57.4116 -41.8011 GPRESSURE: 1466600 154.957 99.1464 75.5279 170.066 38.2375 75.6889 135.988 86.0056 -8.19943 PRESSAVG: 1466600 24.5111 -26.6971 -5.37044 -26.6972 -24.7424 42.3869 -5.37044 42.3868 0.147825 GPRESSAVG: 1466600 23.4721 -25.0805 -4.54304 -26.5846 -23.6085 41.1782 -5.21811 44.803 0.418836 TIMING: 1466600 CPU: 4416.62, 0.00300971/step Wall: 4416.62, 0.00300971/step, 2.95403 hours remaining, 208.671875 MB of memory in use. ENERGY: 1466600 755.1597 2032.8905 1935.9657 110.1102 -206262.8185 17910.4446 0.0000 0.0000 34421.0917 -149097.1561 300.6080 -183518.2478 -149004.7224 299.3689 29.9623 61.6651 556822.8821 -0.0278 0.0942 PRESSURE: 1466800 86.2622 101.765 -4.94898 101.765 -220.938 -83.043 -4.95044 -83.0443 -171.247 GPRESSURE: 1466800 81.463 140.149 -59.4604 57.2732 -159.55 -28.1852 33.716 -106.556 -127.993 PRESSAVG: 1466800 104.68 19.0449 57.1742 19.0449 -21.9002 -2.22234 57.1742 -2.22233 -23.2776 GPRESSAVG: 1466800 105.359 18.7409 57.0537 19.2837 -23.4327 -2.57548 55.2814 -3.4247 -22.8413 TIMING: 1466800 CPU: 4417.22, 0.00299509/step Wall: 4417.22, 0.00299509/step, 2.93951 hours remaining, 208.671875 MB of memory in use. ENERGY: 1466800 743.3081 2080.0075 1928.2483 108.9443 -206179.4246 17630.7276 0.0000 0.0000 34543.2292 -149144.9595 301.6746 -183688.1887 -149046.4968 299.6587 -101.9742 -68.6936 557466.2503 19.8341 19.6952 PRESSURE: 1467000 -231.784 127.499 77.6549 127.501 -194.932 22.6529 77.6548 22.6523 -51.6542 GPRESSURE: 1467000 -182.726 78.3753 91.3751 81.6207 -206.578 8.6905 -14.2258 -37.5547 9.71693 PRESSAVG: 1467000 27.9038 -34.8374 17.8945 -34.8373 14.6416 -34.7788 17.8945 -34.7788 -58.6475 GPRESSAVG: 1467000 28.4869 -33.7291 17.9679 -35.1588 14.9903 -31.2399 17.9734 -35.881 -59.6457 TIMING: 1467000 CPU: 4417.82, 0.00301333/step Wall: 4417.82, 0.00301333/step, 2.95725 hours remaining, 208.671875 MB of memory in use. ENERGY: 1467000 780.9259 2059.2898 1949.0508 110.1721 -205880.9958 17513.8453 0.0000 0.0000 34347.4458 -149120.2660 299.9648 -183467.7118 -149019.7672 299.6388 -159.4568 -126.5288 557136.9372 -5.3673 -5.3895 PRESSURE: 1467200 251.728 -166.497 71.5076 -166.499 -147.401 4.55252 71.5083 4.55116 54.1466 GPRESSURE: 1467200 253.001 -176.561 87.1034 -140.414 -60.6586 31.2261 61.2417 0.424529 63.4021 PRESSAVG: 1467200 16.7254 -32.864 23.4582 -32.864 -11.5143 37.3278 23.4582 37.3279 -2.76347 GPRESSAVG: 1467200 15.9525 -32.2593 27.1967 -33.539 -12.1013 34.8401 21.1462 40.088 -1.61414 TIMING: 1467200 CPU: 4418.43, 0.00304341/step Wall: 4418.43, 0.00304341/step, 2.9866 hours remaining, 208.671875 MB of memory in use. ENERGY: 1467200 746.2852 2054.2612 1957.0500 110.0042 -206348.5369 17827.6875 0.0000 0.0000 34271.3145 -149381.9342 299.2999 -183653.2488 -149288.1758 300.3047 52.8246 85.2482 556320.6388 0.8159 0.7457 PRESSURE: 1467400 7.43261 24.867 105.094 24.8682 -59.3512 53.1423 105.093 53.1422 -85.0782 GPRESSURE: 1467400 55.0145 7.51252 102.26 47.4605 -18.4374 87.4993 -2.0217 44.9636 -69.2754 PRESSAVG: 1467400 -33.3492 1.71828 46.8811 1.71831 44.1762 10.7364 46.881 10.7365 -2.40356 GPRESSAVG: 1467400 -32.3869 1.07879 44.2115 -0.23851 44.4666 12.5784 48.8814 6.60655 -3.77202 TIMING: 1467400 CPU: 4419.04, 0.00303393/step Wall: 4419.04, 0.00303393/step, 2.97713 hours remaining, 208.671875 MB of memory in use. ENERGY: 1467400 753.1321 2113.6169 1944.7595 118.6297 -206264.8967 17857.7082 0.0000 0.0000 34036.1657 -149440.8847 297.2463 -183477.0504 -149346.9748 299.0793 -45.6656 -10.8995 557992.3690 2.8078 2.7692 PRESSURE: 1467600 -124.793 -68.7573 -246.106 -68.7571 -106.339 37.4334 -246.106 37.4337 255.881 GPRESSURE: 1467600 -197.626 -139.6 -215.718 -55.3704 -42.6956 75.6877 -230.764 -20.2081 364.008 PRESSAVG: 1467600 -30.6507 1.71774 47.9412 1.71776 2.84807 -2.31903 47.9412 -2.31899 9.63047 GPRESSAVG: 1467600 -31.7473 2.85527 47.8853 4.27855 2.89728 -2.5222 47.4948 -0.390404 10.7131 TIMING: 1467600 CPU: 4419.65, 0.0030589/step Wall: 4419.65, 0.0030589/step, 3.00146 hours remaining, 208.671875 MB of memory in use. ENERGY: 1467600 703.6486 2100.1122 1918.0871 99.5835 -206611.2864 17999.3096 0.0000 0.0000 34484.4230 -149306.1224 301.1610 -183790.5454 -149206.9261 299.4180 8.2496 41.2289 557652.5203 -6.0574 -6.0456 PRESSURE: 1467800 -238.692 -64.8496 -43.9903 -64.8506 195.894 -95.9114 -43.9901 -95.912 87.463 GPRESSURE: 1467800 -168.655 -95.8543 -100.035 -91.2001 206.678 -54.0398 -51.1876 -168.067 99.162 PRESSAVG: 1467800 -39.5731 -31.4804 -15.5249 -31.4803 17.6158 -14.6529 -15.5249 -14.6528 -4.52575 GPRESSAVG: 1467800 -39.4026 -32.221 -18.2716 -32.3189 18.2784 -17.9204 -14.3091 -14.1537 -5.71141 TIMING: 1467800 CPU: 4420.25, 0.00300955/step Wall: 4420.25, 0.00300955/step, 2.95287 hours remaining, 208.671875 MB of memory in use. ENERGY: 1467800 775.7122 2105.6542 1915.4168 120.8737 -206541.8714 18034.0558 0.0000 0.0000 34254.2743 -149335.8844 299.1511 -183590.1587 -149237.1242 298.8976 14.8886 45.7286 557619.8406 -8.8277 -8.9452 PRESSURE: 1468000 27.4114 -16.0105 47.5285 -16.0107 -79.941 123.487 47.5285 123.488 54.8434 GPRESSURE: 1468000 28.9744 6.4874 -30.334 -6.25033 -46.3996 102.845 57.879 109.865 110.886 PRESSAVG: 1468000 83.1488 -22.4409 10.1685 -22.4408 -35.3986 11.1739 10.1686 11.174 -8.7231 GPRESSAVG: 1468000 81.5597 -21.1551 11.9038 -22.4929 -35.9661 13.3983 10.9135 10.4432 -6.99098 TIMING: 1468000 CPU: 4420.85, 0.00302113/step Wall: 4420.85, 0.00302113/step, 2.96407 hours remaining, 208.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1468000 758.3754 2133.6903 1931.8907 105.7404 -206388.6565 18042.8664 0.0000 0.0000 34185.6118 -149230.4816 298.5515 -183416.0933 -149137.5162 299.8176 0.7713 31.1536 558066.4964 13.0090 12.8675 PRESSURE: 1468200 -129.458 -61.9649 -6.56211 -61.9647 -187.754 -97.2576 -6.56151 -97.2582 -310.38 GPRESSURE: 1468200 -89.4726 -26.7202 -52.2028 -57.835 -160.013 -136.413 98.9349 -21.4982 -272.767 PRESSAVG: 1468200 -3.26281 25.9027 20.4383 25.9027 -33.9843 -16.3438 20.4383 -16.3439 66.0676 GPRESSAVG: 1468200 -1.6712 26.6091 21.7591 25.2407 -34.33 -16.668 20.106 -14.9119 65.2008 TIMING: 1468200 CPU: 4421.46, 0.0030285/step Wall: 4421.46, 0.0030285/step, 2.97113 hours remaining, 208.671875 MB of memory in use. ENERGY: 1468200 740.4424 2059.5449 1931.9402 105.9028 -205909.1828 17558.9722 0.0000 0.0000 34204.2201 -149308.1601 298.7140 -183512.3803 -149201.6027 299.0377 -209.1973 -174.0844 560078.1969 9.6068 9.7332 LDB: ============= START OF LOAD BALANCING ============== 4424.98 LDB: ============== END OF LOAD BALANCING =============== 4424.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4424.98 LDB: ============= START OF LOAD BALANCING ============== 4425.28 LDB: Largest compute 4800 load 0.030739 is 26.1% of average load 0.117904 LDB: Average compute 0.001733 is 1.5% of average load 0.117904 LDB: TIME 4425.29 LOAD: AVG 0.117904 MAX 0.217586 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.402 MB LDB: TIME 4425.29 LOAD: AVG 0.117904 MAX 0.217586 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.473 MB LDB: TIME 4425.29 LOAD: AVG 0.117904 MAX 0.217586 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.473 MB LDB: ============== END OF LOAD BALANCING =============== 4425.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4425.29 PRESSURE: 1468400 102.908 -66.4798 -53.8518 -66.4795 -94.3404 128.063 -53.8516 128.064 -205.582 GPRESSURE: 1468400 132.413 -81.2856 -125.559 -157.62 -71.9586 119.078 5.37924 130.873 -163.848 PRESSAVG: 1468400 14.9876 -10.6903 -17.4682 -10.6903 -61.7412 -51.8289 -17.4682 -51.8289 55.3216 GPRESSAVG: 1468400 14.061 -12.7826 -18.6261 -11.1223 -61.0077 -51.725 -18.928 -50.8215 55.2896 TIMING: 1468400 CPU: 4422.08, 0.00307756/step Wall: 4422.08, 0.00307756/step, 3.01908 hours remaining, 207.246094 MB of memory in use. ENERGY: 1468400 753.0540 2056.5651 1928.2667 122.4202 -206129.7713 17752.8890 0.0000 0.0000 34272.5453 -149244.0309 299.3107 -183516.5762 -149151.4325 299.0013 -65.6716 -34.4646 557448.0626 2.8560 2.7810 PRESSURE: 1468600 -165.174 130.375 -136.352 130.375 -67.1757 -132.436 -136.351 -132.437 -285.482 GPRESSURE: 1468600 -147.566 60.0085 -120.591 108.122 -91.902 -59.9508 -103.249 -127.744 -200.533 PRESSAVG: 1468600 -15.6244 8.33223 -38.4587 8.33224 -29.462 27.4743 -38.4586 27.4743 53.5964 GPRESSAVG: 1468600 -15.34 8.54674 -36.7235 9.12169 -29.0172 28.1585 -37.9903 26.0302 52.6348 TIMING: 1468600 CPU: 4422.68, 0.00302037/step Wall: 4422.68, 0.00302037/step, 2.96281 hours remaining, 207.449219 MB of memory in use. ENERGY: 1468600 741.7792 2086.0705 1931.3813 118.0559 -206054.6397 17645.2815 0.0000 0.0000 34298.3282 -149233.7432 299.5358 -183532.0714 -149140.3765 299.4078 -172.6106 -146.6670 557890.3860 2.8366 2.7592 PRESSURE: 1468800 80.7148 3.08608 -99.4096 3.08583 180.379 -58.213 -99.4095 -58.2109 -63.3184 GPRESSURE: 1468800 139.967 -26.2401 -98.7349 -49.8369 142.049 -93.2822 -146.141 3.61591 8.30773 PRESSAVG: 1468800 19.8475 -36.1919 -56.3298 -36.192 -22.5196 -1.95277 -56.3298 -1.95286 -30.15 GPRESSAVG: 1468800 19.6228 -37.0338 -56.9675 -35.1609 -23.848 -2.33382 -56.9158 -1.42402 -28.395 TIMING: 1468800 CPU: 4423.29, 0.00303657/step Wall: 4423.29, 0.00303657/step, 2.97854 hours remaining, 207.574219 MB of memory in use. ENERGY: 1468800 730.1305 2112.4823 1930.4024 107.8019 -206007.6383 17806.8538 0.0000 0.0000 34156.7707 -149163.1966 298.2996 -183319.9673 -149068.7704 299.6197 65.9251 96.7746 558649.0942 -10.9407 -10.8734 PRESSURE: 1469000 -170.567 252.227 0.727435 252.227 -67.1646 -114.416 0.728973 -114.415 -82.6385 GPRESSURE: 1469000 -127.182 250.019 11.1865 162.8 0.483869 -96.5888 19.3968 -110.421 -86.316 PRESSAVG: 1469000 -96.1556 29.6134 -50.505 29.6133 78.3211 -17.0588 -50.505 -17.0588 45.4489 GPRESSAVG: 1469000 -96.0176 29.9593 -51.3645 28.5366 78.0675 -16.7266 -47.5149 -19.2557 45.9535 TIMING: 1469000 CPU: 4423.89, 0.00301801/step Wall: 4423.89, 0.00301801/step, 2.96017 hours remaining, 207.574219 MB of memory in use. ENERGY: 1469000 777.6857 2046.0527 1937.9891 124.3569 -205835.0541 17652.9059 0.0000 0.0000 34254.6861 -149041.3776 299.1547 -183296.0637 -148946.4923 299.6372 -106.7901 -71.0048 559043.3309 9.2048 9.3344 PRESSURE: 1469200 114.874 50.0069 -68.8867 50.0074 -57.8512 -74.3117 -68.8866 -74.3114 61.5422 GPRESSURE: 1469200 121.237 -13.6289 -34.7142 46.4093 -3.73662 -65.4702 -31.7778 -56.4457 92.2163 PRESSAVG: 1469200 -57.4412 39.6299 -48.2452 39.6297 38.5317 23.4524 -48.2451 23.4524 -33.7498 GPRESSAVG: 1469200 -57.4351 42.5521 -47.7364 37.727 40.7595 23.9056 -49.4121 24.4244 -35.9746 TIMING: 1469200 CPU: 4424.49, 0.00301299/step Wall: 4424.49, 0.00301299/step, 2.95508 hours remaining, 207.574219 MB of memory in use. ENERGY: 1469200 746.3224 2125.8459 1910.1533 115.0097 -206223.9365 17721.0732 0.0000 0.0000 34287.8887 -149317.6433 299.4447 -183605.5320 -149218.0042 299.3069 39.5216 69.9054 557246.5819 -17.5531 -17.5501 PRESSURE: 1469400 202.905 163.526 -9.92086 163.526 9.18825 28.9166 -9.9199 28.9152 87.2049 GPRESSURE: 1469400 283.571 117.259 -50.8222 232.137 32.6212 113.985 30.6014 -47.9791 68.6569 PRESSAVG: 1469400 15.3859 66.0545 55.2682 66.0545 27.6782 11.5266 55.2681 11.5266 -24.6224 GPRESSAVG: 1469400 15.3058 63.1598 54.7778 67.8998 26.3498 12.0905 54.2764 13.4763 -22.7303 TIMING: 1469400 CPU: 4425.1, 0.00301741/step Wall: 4425.1, 0.00301741/step, 2.95924 hours remaining, 207.574219 MB of memory in use. ENERGY: 1469400 738.8455 2142.0662 1901.0709 105.0387 -206610.9000 18041.9350 0.0000 0.0000 34218.3886 -149463.5551 298.8377 -183681.9437 -149369.8482 298.8836 99.7659 128.2831 557137.3430 6.1472 6.3084 PRESSURE: 1469600 6.36525 -19.4875 -22.5755 -19.4871 38.8001 -5.19309 -22.5746 -5.19165 -52.2379 GPRESSURE: 1469600 27.921 -63.3673 -22.5306 31.1323 74.4631 33.5093 -50.8306 -37.9717 -22.8231 PRESSAVG: 1469600 -1.0547 2.37647 -1.70792 2.37648 53.2204 40.8636 -1.70791 40.8635 2.76631 GPRESSAVG: 1469600 -0.124273 1.36165 -1.25215 2.8484 53.6247 37.3729 0.29625 40.7354 0.802719 TIMING: 1469600 CPU: 4425.7, 0.00301008/step Wall: 4425.7, 0.00301008/step, 2.95188 hours remaining, 207.574219 MB of memory in use. ENERGY: 1469600 755.9675 2077.9140 1916.2362 104.4874 -206205.1710 17706.5775 0.0000 0.0000 34069.4699 -149574.5186 297.5372 -183643.9885 -149479.4811 297.7633 -2.3575 26.5203 559210.3055 18.3107 18.1010 PRESSURE: 1469800 203.87 -1.735 109.89 -1.73673 -62.9687 -107.392 109.89 -107.391 -9.90913 GPRESSURE: 1469800 259.95 -70.6334 129.285 -67.3531 -90.483 -75.1024 103.134 -54.396 50.6073 PRESSAVG: 1469800 14.7936 -2.87734 23.1965 -2.87737 62.3334 48.1948 23.1965 48.1947 -33.5584 GPRESSAVG: 1469800 14.5307 -2.78133 24.0865 -3.53067 62.1613 50.0123 21.2143 47.2773 -33.4134 TIMING: 1469800 CPU: 4426.31, 0.00304051/step Wall: 4426.31, 0.00304051/step, 2.98155 hours remaining, 207.574219 MB of memory in use. ENERGY: 1469800 744.4102 2041.5299 1933.0854 111.1664 -206763.6432 18014.1251 0.0000 0.0000 34256.6877 -149662.6384 299.1722 -183919.3262 -149567.7297 298.6044 43.6641 73.3580 557384.4148 14.5229 14.4262 PRESSURE: 1470000 213.95 -131.975 -80.2142 -131.974 -222.471 77.9399 -80.2153 77.9408 -68.3664 GPRESSURE: 1470000 174.059 -138.488 -36.0416 -71.1547 -178.62 -52.8547 -17.4761 103.685 36.8925 PRESSAVG: 1470000 88.0324 -15.8778 10.9423 -15.8778 -27.911 1.01581 10.9423 1.01587 -46.3646 GPRESSAVG: 1470000 88.0989 -15.3778 10.6618 -14.5891 -27.7267 0.878422 10.664 0.618202 -46.6657 TIMING: 1470000 CPU: 4426.91, 0.00300898/step Wall: 4426.91, 0.00300898/step, 2.95048 hours remaining, 207.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1470000 774.4713 2102.5390 1940.3280 102.8222 -206704.5568 17982.9788 0.0000 0.0000 34311.3398 -149490.0778 299.6495 -183801.4176 -149394.2261 298.6610 -25.6293 10.7771 558551.7905 4.5856 4.5688 PRESSURE: 1470200 -198.48 -19.098 -35.1876 -19.0987 -159.701 56.917 -35.1878 56.9164 -6.83037 GPRESSURE: 1470200 -159.048 -5.50522 -117.14 4.58223 -128.997 44.8005 54.4426 80.123 29.3172 PRESSAVG: 1470200 3.46685 21.3168 0.922684 21.3168 -11.3882 11.8809 0.92274 11.881 7.51415 GPRESSAVG: 1470200 2.20619 21.0382 0.34996 22.1906 -11.3842 11.8056 2.75047 11.5797 8.90968 TIMING: 1470200 CPU: 4427.51, 0.0029987/step Wall: 4427.51, 0.0029987/step, 2.94022 hours remaining, 207.574219 MB of memory in use. ENERGY: 1470200 699.1585 2105.6482 1969.8934 108.0875 -206154.8146 17631.0291 0.0000 0.0000 34214.4333 -149426.5646 298.8032 -183640.9980 -149334.1476 298.5274 -121.6703 -86.2428 558789.2041 -0.1357 -0.0894 PRESSURE: 1470400 96.5261 20.6359 -143.903 20.6372 40.8964 134.225 -143.904 134.227 25.4987 GPRESSURE: 1470400 136.047 66.5525 -152.444 12.6455 88.7374 33.3589 -56.867 171.162 34.792 PRESSAVG: 1470400 -1.36646 -3.37329 10.1822 -3.37329 -48.4751 -21.1272 10.1823 -21.1272 27.6519 GPRESSAVG: 1470400 0.416408 -2.6058 10.1488 -4.16514 -49.6407 -20.7173 9.39918 -21.9905 27.4208 TIMING: 1470400 CPU: 4428.11, 0.00298699/step Wall: 4428.11, 0.00298699/step, 2.92858 hours remaining, 207.574219 MB of memory in use. ENERGY: 1470400 715.3475 2079.3079 1924.7302 114.3850 -206742.5886 17934.7611 0.0000 0.0000 34516.5911 -149457.4657 301.4420 -183974.0568 -149354.3092 299.0114 54.3071 86.5255 558244.3035 -7.3966 -7.2678 PRESSURE: 1470600 -38.1813 -54.6186 49.4758 -54.6195 -334.955 -69.8412 49.4767 -69.839 -110.341 GPRESSURE: 1470600 -13.9459 -66.9069 12.4307 -65.5954 -294.62 -83.4209 44.786 -38.9858 -78.4684 PRESSAVG: 1470600 22.6065 -32.5905 25.4483 -32.5905 -73.5566 -24.894 25.4483 -24.8939 41.7248 GPRESSAVG: 1470600 20.5906 -31.5699 27.0517 -34.6439 -71.8808 -23.5626 22.3014 -24.9047 41.8919 TIMING: 1470600 CPU: 4428.71, 0.00303857/step Wall: 4428.71, 0.00303857/step, 2.97898 hours remaining, 207.574219 MB of memory in use. ENERGY: 1470600 701.7633 2169.8430 1907.9326 114.3613 -206168.5257 17640.2638 0.0000 0.0000 34194.0574 -149440.3041 298.6252 -183634.3616 -149343.6201 298.8892 -161.1593 -129.0114 559084.8619 -3.0751 -3.1328 PRESSURE: 1470800 -137.998 -154.388 182.002 -154.388 7.54671 -189.383 182.002 -189.382 72.9816 GPRESSURE: 1470800 -91.4415 -176.323 129.53 -144.136 90.2863 -173.828 165.151 -197.604 37.0472 PRESSAVG: 1470800 -18.7759 4.04278 -6.06234 4.04279 -24.6941 -16.7608 -6.06228 -16.7609 18.2161 GPRESSAVG: 1470800 -17.1769 2.67907 -8.47001 5.42453 -25.5894 -18.0727 -4.23907 -15.5107 17.6072 TIMING: 1470800 CPU: 4429.32, 0.00301219/step Wall: 4429.32, 0.00301219/step, 2.95295 hours remaining, 207.574219 MB of memory in use. ENERGY: 1470800 771.6370 2061.8265 1920.1991 117.8995 -206645.5769 18215.6922 0.0000 0.0000 34177.6077 -149380.7148 298.4815 -183558.3225 -149286.7866 298.3417 -19.1565 11.9640 558550.7481 -8.4180 -8.3864 PRESSURE: 1471000 99.757 -166.142 -116.171 -166.141 -78.6484 -82.5472 -116.17 -82.5452 -60.5287 GPRESSURE: 1471000 170.327 -180.152 -149.773 -162.709 -68.0927 -131.674 -205.064 -80.8891 -37.5426 PRESSAVG: 1471000 73.1593 -11.9618 -46.9249 -11.9618 -27.8443 5.56127 -46.9249 5.56119 -22.2085 GPRESSAVG: 1471000 72.6723 -11.5926 -46.9985 -11.9609 -27.5357 5.65656 -45.974 3.38214 -21.5959 TIMING: 1471000 CPU: 4429.92, 0.00300587/step Wall: 4429.92, 0.00300587/step, 2.94659 hours remaining, 207.574219 MB of memory in use. ENERGY: 1471000 772.9037 2113.8233 1944.0961 115.9892 -206391.6072 17821.0644 0.0000 0.0000 34307.5272 -149316.2033 299.6162 -183623.7305 -149221.8092 298.8660 -13.1400 21.5639 555852.6437 7.7022 7.8469 PRESSURE: 1471200 -214.85 26.7228 115.387 26.7203 -52.0793 61.113 115.386 61.1139 104.858 GPRESSURE: 1471200 -198.054 62.0041 151.964 41.5433 -25.2309 35.6724 126.002 170.039 159.876 PRESSAVG: 1471200 50.354 11.3107 -11.7207 11.3107 -21.0467 11.8544 -11.7208 11.8544 -4.90397 GPRESSAVG: 1471200 51.516 11.8944 -9.58917 10.6359 -22.0303 12.438 -11.3285 13.5007 -5.08071 TIMING: 1471200 CPU: 4430.52, 0.0030385/step Wall: 4430.52, 0.0030385/step, 2.97841 hours remaining, 207.574219 MB of memory in use. ENERGY: 1471200 749.4747 2096.6736 1939.1306 110.3577 -206229.1860 17668.4363 0.0000 0.0000 34312.2978 -149352.8154 299.6578 -183665.1131 -149261.8038 299.3458 -54.0237 -21.1365 556410.4687 8.1344 8.1350 PRESSURE: 1471400 -232.847 79.03 -94.8509 79.0285 -291.617 58.9723 -94.8508 58.9692 -191.065 GPRESSURE: 1471400 -204.75 100.154 -89.8218 121.692 -275.923 150.208 -132.268 -4.37504 -141.154 PRESSAVG: 1471400 -39.2692 -11.0943 -36.8746 -11.0943 8.21264 -21.3065 -36.8746 -21.3066 38.8234 GPRESSAVG: 1471400 -40.1873 -10.496 -38.3934 -11.6081 8.59881 -21.4744 -37.8261 -22.1416 39.3267 TIMING: 1471400 CPU: 4431.14, 0.00305903/step Wall: 4431.14, 0.00305903/step, 2.99836 hours remaining, 207.574219 MB of memory in use. ENERGY: 1471400 727.3033 2078.8042 1958.8269 130.7912 -205925.5074 17360.4212 0.0000 0.0000 34395.3389 -149274.0217 300.3830 -183669.3606 -149173.1914 299.6773 -238.5097 -207.2758 556793.2463 2.5889 2.5794 PRESSURE: 1471600 -172.242 -95.9665 162.921 -95.9649 -126.908 51.2022 162.921 51.2029 -143.695 GPRESSURE: 1471600 -99.316 -1.74 172.553 -134.346 -159.797 143.589 124.932 -59.8292 -80.6457 PRESSAVG: 1471600 11.1467 -5.96051 34.1002 -5.96046 11.8631 -43.0231 34.1001 -43.023 -4.58064 GPRESSAVG: 1471600 10.9146 -6.19394 34.1464 -5.26934 13.4291 -42.3424 34.6654 -43.7109 -5.79041 TIMING: 1471600 CPU: 4431.74, 0.00302984/step Wall: 4431.74, 0.00302984/step, 2.96958 hours remaining, 207.574219 MB of memory in use. ENERGY: 1471600 716.1511 2064.3446 1909.0533 118.5902 -206426.1723 17768.8827 0.0000 0.0000 34558.3950 -149290.7553 301.8071 -183849.1504 -149193.8802 299.7556 -147.6147 -113.2529 557029.6003 6.1430 6.1844 PRESSURE: 1471800 -194.767 114.586 102.621 114.586 5.93903 -40.5585 102.62 -40.5584 -64.9116 GPRESSURE: 1471800 -198.276 121.122 92.3641 155.829 86.383 -94.8988 33.556 9.95068 -61.1786 PRESSAVG: 1471800 67.1988 30.6706 7.63731 30.6706 -46.243 -18.2152 7.63736 -18.2152 -27.1214 GPRESSAVG: 1471800 67.6349 30.9904 6.40497 31.4517 -47.7219 -21.7315 6.26033 -14.8922 -26.5649 TIMING: 1471800 CPU: 4432.35, 0.00301545/step Wall: 4432.35, 0.00301545/step, 2.95531 hours remaining, 207.574219 MB of memory in use. ENERGY: 1471800 727.3688 2121.5017 1935.9798 116.1818 -205786.7692 17430.3327 0.0000 0.0000 34165.4893 -149289.9150 298.3757 -183455.4043 -149201.4620 299.3356 -84.5799 -57.6907 556049.1799 -2.0552 -2.2173 PRESSURE: 1472000 -61.0344 -81.8605 -130.011 -81.8599 -127.293 -157.832 -130.01 -157.831 -29.3245 GPRESSURE: 1472000 -1.73114 -88.5474 -94.3387 -95.4914 -95.0886 -174.484 -155.93 -93.5237 -13.93 PRESSAVG: 1472000 -69.7099 -10.6833 -42.3586 -10.6833 14.4227 -7.37376 -42.3586 -7.37359 -0.606199 GPRESSAVG: 1472000 -70.0852 -12.3336 -41.5072 -12.2533 14.9509 -4.5013 -41.4656 -10.3696 -0.58801 TIMING: 1472000 CPU: 4432.95, 0.00301182/step Wall: 4432.95, 0.00301182/step, 2.95159 hours remaining, 207.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1472000 741.5297 2113.3235 1919.8166 116.1321 -205947.7355 17638.7918 0.0000 0.0000 34193.2701 -149224.8716 298.6183 -183418.1417 -149130.1154 298.8134 -72.5507 -36.9166 557023.3449 -18.6311 -18.5741 PRESSURE: 1472200 -1.29501 83.1808 -94.9054 83.1802 -113.2 -67.8933 -94.905 -67.8934 -122.803 GPRESSURE: 1472200 45.8784 118.728 -91.8519 86.2936 -64.1135 -114.369 21.1547 4.92758 -121.851 PRESSAVG: 1472200 16.7183 -25.4404 45.5756 -25.4405 -14.2855 -32.8794 45.5756 -32.8793 15.2872 GPRESSAVG: 1472200 16.3527 -24.3189 45.9679 -25.1392 -14.4856 -33.0616 45.9094 -32.2313 15.5357 TIMING: 1472200 CPU: 4433.55, 0.0030167/step Wall: 4433.55, 0.0030167/step, 2.9562 hours remaining, 207.574219 MB of memory in use. ENERGY: 1472200 736.1629 2052.7429 1933.6880 106.5567 -205977.3828 17699.7512 0.0000 0.0000 34465.4248 -148983.0562 300.9951 -183448.4810 -148880.1899 299.2903 -79.0993 -46.6952 556698.7953 5.9067 5.8009 LDB: ============= START OF LOAD BALANCING ============== 4437.07 LDB: ============== END OF LOAD BALANCING =============== 4437.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4437.07 LDB: ============= START OF LOAD BALANCING ============== 4437.37 LDB: Largest compute 4800 load 0.031016 is 26.3% of average load 0.117896 LDB: Average compute 0.001734 is 1.5% of average load 0.117896 LDB: TIME 4437.38 LOAD: AVG 0.117896 MAX 0.221404 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.785 MB LDB: TIME 4437.38 LOAD: AVG 0.117896 MAX 0.221404 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.785 MB LDB: TIME 4437.38 LOAD: AVG 0.117896 MAX 0.221404 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.785 MB LDB: ============== END OF LOAD BALANCING =============== 4437.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4437.38 PRESSURE: 1472400 144.432 56.2513 109.475 56.2529 -65.3821 -113.61 109.475 -113.609 -112.839 GPRESSURE: 1472400 121.32 -8.1251 64.3551 51.1215 -17.8175 -26.7144 13.6699 -109.449 -49.2023 PRESSAVG: 1472400 15.3628 22.6827 -51.6266 22.6828 -1.00649 16.0046 -51.6266 16.0045 -35.9966 GPRESSAVG: 1472400 15.7603 22.0378 -51.9258 23.6541 -1.1546 16.8043 -52.1153 16.0017 -36.6217 TIMING: 1472400 CPU: 4434.17, 0.00307757/step Wall: 4434.17, 0.00307757/step, 3.01568 hours remaining, 208.914062 MB of memory in use. ENERGY: 1472400 723.0773 2094.8642 1933.7160 106.4396 -205956.3979 17750.9205 0.0000 0.0000 34539.8194 -148807.5609 301.6448 -183347.3803 -148706.3329 300.3292 -11.2628 18.1000 556530.2895 -7.2134 -7.3387 PRESSURE: 1472600 -381.817 149.558 15.3238 149.557 69.8183 -56.3853 15.3238 -56.3855 -184.539 GPRESSURE: 1472600 -298.039 162.787 94.8383 139.083 127.343 -32.6436 -4.52674 -96.0104 -237.784 PRESSAVG: 1472600 11.9312 -5.51794 26.8357 -5.51793 -6.69485 -11.5152 26.8356 -11.5152 -42.3179 GPRESSAVG: 1472600 10.6834 -5.21736 28.0663 -5.69679 -6.04741 -12.1063 27.7079 -11.0145 -41.995 TIMING: 1472600 CPU: 4434.77, 0.00302219/step Wall: 4434.77, 0.00302219/step, 2.96124 hours remaining, 208.914062 MB of memory in use. ENERGY: 1472600 773.1336 2077.6457 1933.0608 95.6200 -206291.4151 17645.7636 0.0000 0.0000 34594.1167 -149172.0747 302.1190 -183766.1914 -149081.8913 299.5466 -165.5126 -136.1598 556419.6847 -12.3605 -12.4530 PRESSURE: 1472800 181.855 -224.713 -96.7725 -224.713 -108.974 -173.488 -96.7717 -173.487 -220.625 GPRESSURE: 1472800 239.998 -270.363 -22.7852 -140.959 -69.2309 -189.057 -143.319 -162.497 -228.034 PRESSAVG: 1472800 -31.507 6.63172 49.7827 6.6317 17.8256 -78.3094 49.7826 -78.3095 41.1557 GPRESSAVG: 1472800 -30.121 7.81046 48.0867 5.91571 17.522 -77.9096 50.6488 -80.3937 40.6939 TIMING: 1472800 CPU: 4435.38, 0.00302158/step Wall: 4435.38, 0.00302158/step, 2.96047 hours remaining, 208.914062 MB of memory in use. ENERGY: 1472800 749.0943 2090.5584 1923.3706 100.6204 -205958.2870 17606.7765 0.0000 0.0000 34329.9230 -149157.9438 299.8118 -183487.8668 -149060.4839 300.1377 -49.2482 -19.0888 556283.8300 9.1581 9.3649 PRESSURE: 1473000 -6.50854 -75.3026 -142.473 -75.3027 -339.762 -21.8974 -142.475 -21.8971 -141.669 GPRESSURE: 1473000 8.00827 -87.6691 -164.621 -132.809 -299.438 6.73465 -118.6 -73.3585 -94.3618 PRESSAVG: 1473000 -0.689631 -66.3111 20.4122 -66.3111 25.4761 -20.5797 20.4122 -20.5797 -15.4286 GPRESSAVG: 1473000 -1.29754 -68.9314 23.0581 -64.9975 25.0158 -20.9276 18.0965 -21.2202 -14.2366 TIMING: 1473000 CPU: 4435.97, 0.00299262/step Wall: 4435.97, 0.00299262/step, 2.93194 hours remaining, 208.914062 MB of memory in use. ENERGY: 1473000 767.8566 2084.7493 1945.4014 102.9402 -205924.7865 17604.3593 0.0000 0.0000 34324.6034 -149094.8764 299.7653 -183419.4798 -148993.8413 299.8602 -162.6463 -128.5970 556454.6192 3.1193 3.1605 PRESSURE: 1473200 1.36163 -89.2045 72.4856 -89.2051 -132.877 37.7509 72.4846 37.7519 4.31905 GPRESSURE: 1473200 17.0536 -42.1288 -60.5223 -82.4869 -63.7682 124.922 139.935 -2.07232 21.7273 PRESSAVG: 1473200 -16.5179 11.4087 8.29967 11.4087 11.8887 49.6514 8.2998 49.6514 2.16706 GPRESSAVG: 1473200 -15.9286 12.2586 7.06501 10.4721 12.239 48.7432 10.0953 53.6497 0.540672 TIMING: 1473200 CPU: 4436.57, 0.00300162/step Wall: 4436.57, 0.00300162/step, 2.94058 hours remaining, 208.914062 MB of memory in use. ENERGY: 1473200 744.6035 2120.9193 1926.7922 111.6696 -205753.9925 17706.3549 0.0000 0.0000 34314.5949 -148829.0582 299.6779 -183143.6530 -148735.9912 299.8398 -42.3987 -8.3291 556833.1007 -0.8207 -1.0496 PRESSURE: 1473400 164.84 -7.21869 -68.418 -7.21784 74.9395 7.33992 -68.418 7.34083 67.1574 GPRESSURE: 1473400 223.023 -8.53866 -40.6579 -48.873 113.585 -6.89623 -84.4058 32.6161 74.269 PRESSAVG: 1473400 -32.4698 15.3288 6.60445 15.3289 -13.7939 63.6236 6.6045 63.6237 38.4168 GPRESSAVG: 1473400 -33.1452 15.5722 7.20465 14.2267 -14.889 65.3419 5.07449 61.6288 39.897 TIMING: 1473400 CPU: 4437.18, 0.0030057/step Wall: 4437.18, 0.0030057/step, 2.94442 hours remaining, 208.914062 MB of memory in use. ENERGY: 1473400 710.3382 2115.9017 1954.7094 111.6506 -206309.7978 17721.6801 0.0000 0.0000 34717.2587 -148978.2590 303.1945 -183695.5177 -148891.1410 300.6755 102.3124 136.9591 556359.5043 -2.6156 -2.7124 PRESSURE: 1473600 -40.8854 57.5583 -18.7827 57.5586 80.7513 131.666 -18.7837 131.666 97.3208 GPRESSURE: 1473600 18.7173 32.1041 49.8354 88.1294 105.544 158.384 0.0960146 101.679 109.702 PRESSAVG: 1473600 32.4133 -22.3066 -32.4544 -22.3066 -24.9185 18.2126 -32.4544 18.2125 -17.3459 GPRESSAVG: 1473600 33.1237 -21.8969 -32.2104 -21.0182 -24.422 17.9672 -31.1052 16.31 -18.3785 TIMING: 1473600 CPU: 4437.78, 0.00301011/step Wall: 4437.78, 0.00301011/step, 2.94857 hours remaining, 208.914062 MB of memory in use. ENERGY: 1473600 752.7160 2118.5817 1958.6967 137.8277 -206100.8640 17748.5151 0.0000 0.0000 34378.7833 -149005.7435 300.2385 -183384.5268 -148904.1225 301.0236 45.7289 77.9877 556186.9807 -3.2837 -3.2256 PRESSURE: 1473800 66.0103 -34.4362 88.5847 -34.4357 18.3432 118.418 88.5843 118.417 81.9667 GPRESSURE: 1473800 104.187 4.81318 40.6269 -72.7089 -8.01272 91.806 98.1214 49.1937 159.921 PRESSAVG: 1473800 0.234505 -22.9178 -50.511 -22.9178 6.59614 71.2269 -50.511 71.2269 51.3917 GPRESSAVG: 1473800 0.324647 -22.3991 -49.4323 -23.6579 6.16372 70.4326 -52.074 73.3978 52.1357 TIMING: 1473800 CPU: 4438.38, 0.00300221/step Wall: 4438.38, 0.00300221/step, 2.94066 hours remaining, 208.914062 MB of memory in use. ENERGY: 1473800 727.2030 2101.8078 1960.0027 114.4626 -205890.0830 17802.8395 0.0000 0.0000 34199.7027 -148984.0646 298.6745 -183183.7673 -148888.9060 299.9747 55.4401 85.3649 557929.6085 19.4075 19.5413 PRESSURE: 1474000 53.4525 59.1772 -148.206 59.1774 -33.7118 -78.8458 -148.205 -78.8472 20.7685 GPRESSURE: 1474000 82.4884 -26.7439 -186.596 60.6186 -15.3556 -190.824 -99.273 -19.9044 62.1836 PRESSAVG: 1474000 28.7919 -44.9545 37.7409 -44.9544 9.6672 38.3382 37.7408 38.3382 0.791449 GPRESSAVG: 1474000 27.9291 -45.2549 36.4894 -44.4757 10.1288 39.1878 37.6887 38.6741 0.791297 TIMING: 1474000 CPU: 4438.98, 0.00302591/step Wall: 4438.98, 0.00302591/step, 2.96371 hours remaining, 208.914062 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: 1474000 780.0784 2042.3829 1936.5311 130.7344 -206406.5793 18039.4387 0.0000 0.0000 34476.0247 -149001.3890 301.0877 -183477.4137 -148901.1112 300.0890 13.5031 43.1055 557120.6287 13.0835 12.9497 PRESSURE: 1474200 75.7639 46.8842 65.0777 46.8842 -92.4213 -239.985 65.0779 -239.985 111.929 GPRESSURE: 1474200 104.932 123.44 12.0272 -24.4534 -79.9749 -215.927 127.204 -82.4451 171.164 PRESSAVG: 1474200 -31.5695 -2.30811 -9.06532 -2.30828 103.478 -15.8713 -9.06542 -15.8713 -65.8133 GPRESSAVG: 1474200 -30.9166 -2.23774 -9.21131 -3.80568 103.769 -16.0733 -9.06993 -14.5834 -66.8043 TIMING: 1474200 CPU: 4439.59, 0.00305108/step Wall: 4439.59, 0.00305108/step, 2.9882 hours remaining, 208.914062 MB of memory in use. ENERGY: 1474200 749.1177 2106.0737 1944.8992 121.0270 -206165.4048 17795.0338 0.0000 0.0000 34227.1766 -149222.0769 298.9144 -183449.2535 -149125.1706 300.1004 31.7571 65.3736 557605.1438 2.0318 2.0161 PRESSURE: 1474400 -189.196 -90.5892 -2.67423 -90.5892 -11.7845 -2.23883 -2.67339 -2.23876 23.1058 GPRESSURE: 1474400 -213.635 -26.928 18.4038 -105.846 17.9013 -2.44021 57.1271 -55.9207 105.56 PRESSAVG: 1474400 -26.8001 -8.25553 24.744 -8.25548 22.6706 -23.0721 24.7439 -23.0722 -31.5124 GPRESSAVG: 1474400 -25.6887 -8.94497 22.8536 -6.28498 21.6915 -22.3564 27.2282 -25.3899 -31.6068 TIMING: 1474400 CPU: 4440.2, 0.00305587/step Wall: 4440.2, 0.00305587/step, 2.99271 hours remaining, 208.914062 MB of memory in use. ENERGY: 1474400 745.8560 2042.9053 1938.6133 113.6845 -206060.0589 17755.7983 0.0000 0.0000 34297.2669 -149165.9345 299.5266 -183463.2015 -149061.6509 299.3586 -59.2914 -30.0578 558506.2983 -11.8806 -11.8680 PRESSURE: 1474600 -120.866 52.7085 39.2586 52.7084 -186.864 87.6882 39.258 87.6888 202.517 GPRESSURE: 1474600 -39.08 1.89718 61.6027 30.2538 -124.829 102.678 -56.9863 7.39116 163.231 PRESSAVG: 1474600 -30.3603 44.2889 33.1096 44.289 27.3725 33.1495 33.1095 33.1494 -9.87435 GPRESSAVG: 1474600 -31.1775 45.4315 35.7042 42.7292 28.1062 33.1077 31.0739 33.37 -9.08777 TIMING: 1474600 CPU: 4440.82, 0.00307558/step Wall: 4440.82, 0.00307558/step, 3.01184 hours remaining, 208.914062 MB of memory in use. ENERGY: 1474600 723.4372 2139.1950 1944.2086 112.5808 -206101.7884 17727.7281 0.0000 0.0000 34247.7641 -149206.8746 299.0942 -183454.6387 -149111.5442 299.4637 -35.0708 -0.2259 556549.0633 -4.2874 -4.0530 PRESSURE: 1474800 -188.47 158.218 96.0113 158.219 40.6012 -127.113 96.0116 -127.113 -7.30462 GPRESSURE: 1474800 -98.0949 137.648 56.9076 55.3515 43.9865 -87.2985 104.414 -138.188 5.13184 PRESSAVG: 1474800 -4.40097 55.8367 45.5165 55.8366 -15.4454 24.841 45.5165 24.8411 26.2651 GPRESSAVG: 1474800 -4.53845 53.0466 44.7923 57.5345 -15.6587 25.2546 44.634 26.2161 26.6866 TIMING: 1474800 CPU: 4441.42, 0.00301624/step Wall: 4441.42, 0.00301624/step, 2.95357 hours remaining, 208.914062 MB of memory in use. ENERGY: 1474800 739.3012 2075.2586 1929.1277 111.4830 -205979.1382 17709.3620 0.0000 0.0000 34229.1183 -149185.4873 298.9314 -183414.6056 -149083.2377 299.8188 -51.7244 -16.3255 558732.5572 2.1396 2.1632 PRESSURE: 1475000 72.1939 138.547 107.997 138.546 -45.7426 44.3529 107.995 44.3529 -113.107 GPRESSURE: 1475000 87.837 185.32 99.6003 48.2763 -5.3244 82.5829 87.8054 49.1172 -81.2006 PRESSAVG: 1475000 -27.2519 -57.556 41.2284 -57.556 85.1916 7.41436 41.2285 7.41438 -46.9117 GPRESSAVG: 1475000 -28.8112 -53.3013 42.1358 -60.1817 86.5797 8.43065 43.9517 7.47501 -47.1574 TIMING: 1475000 CPU: 4442.03, 0.00301262/step Wall: 4442.03, 0.00301262/step, 2.94986 hours remaining, 208.914062 MB of memory in use. ENERGY: 1475000 725.4632 2076.0602 1908.5367 108.1130 -205639.3172 17617.3003 0.0000 0.0000 34033.5529 -149170.2909 297.2235 -183203.8439 -149074.3580 299.2907 -28.8853 0.4373 557467.4992 3.6760 3.5370 PRESSURE: 1475200 57.3108 21.692 163.968 21.6928 59.2108 -133.726 163.968 -133.727 -22.0792 GPRESSURE: 1475200 86.0549 10.9382 205.25 63.7622 111.731 -194.297 134.709 -168.312 -18.0941 PRESSAVG: 1475200 1.46224 11.5568 13.4882 11.5569 39.2708 2.22546 13.4882 2.22533 -15.8979 GPRESSAVG: 1475200 2.9758 8.66832 13.159 13.8506 38.1546 1.42857 12.7428 0.145831 -16.769 TIMING: 1475200 CPU: 4442.63, 0.00303187/step Wall: 4442.63, 0.00303187/step, 2.96854 hours remaining, 208.914062 MB of memory in use. ENERGY: 1475200 742.5674 2069.2876 1927.5116 113.9733 -206216.5362 17881.4972 0.0000 0.0000 34203.8109 -149277.8882 298.7104 -183481.6991 -149180.7495 298.7516 31.4808 59.8974 557010.4272 8.2784 8.1205 PRESSURE: 1475400 -188.685 -137.454 181.477 -137.455 -153.452 -45.3095 181.478 -45.3099 -239.403 GPRESSURE: 1475400 -152.156 -119.597 223.541 -187.283 -105.168 -4.179 145.396 -37.0465 -221.84 PRESSAVG: 1475400 -46.3053 -7.32275 22.2818 -7.32273 3.43401 28.3895 22.2819 28.3895 10.9031 GPRESSAVG: 1475400 -45.9855 -7.90696 24.6731 -6.64528 2.54355 28.1039 21.2643 29.7092 11.1204 TIMING: 1475400 CPU: 4443.23, 0.00301393/step Wall: 4443.23, 0.00301393/step, 2.95081 hours remaining, 208.914062 MB of memory in use. ENERGY: 1475400 736.2786 2088.3786 1899.5141 109.7529 -206143.8304 17734.9418 0.0000 0.0000 34302.0870 -149272.8775 299.5687 -183574.9645 -149175.8425 298.8255 -193.8466 -159.7213 558703.6488 -10.6561 -10.7738 PRESSURE: 1475600 77.4639 -86.4825 43.0103 -86.4827 -224.14 46.1693 43.0098 46.1706 -271.32 GPRESSURE: 1475600 133.684 -49.5364 25.5696 -96.5199 -237.241 -37.9496 97.7844 70.4589 -209.78 PRESSAVG: 1475600 -31.1645 1.1886 32.2851 1.18861 -6.2516 -2.29037 32.2851 -2.29036 51.7763 GPRESSAVG: 1475600 -30.896 -0.533242 29.962 0.18173 -6.12532 -2.24713 32.1553 -1.76223 51.1622 TIMING: 1475600 CPU: 4443.83, 0.0029966/step Wall: 4443.83, 0.0029966/step, 2.93368 hours remaining, 208.914062 MB of memory in use. ENERGY: 1475600 763.8072 2108.6313 1912.5849 117.8848 -206108.6210 17654.9784 0.0000 0.0000 34491.9223 -149058.8120 301.2265 -183550.7343 -148968.2370 299.3625 -139.3319 -104.4456 558647.7124 4.7867 4.7136 PRESSURE: 1475800 -50.6009 -77.3221 -24.5371 -77.3224 284.381 -3.45357 -24.5378 -3.45615 238.409 GPRESSURE: 1475800 -29.6533 -49.3639 -4.48121 -99.0474 317.333 -64.764 6.19423 115.406 281.333 PRESSAVG: 1475800 -13.0121 -16.6496 13.6215 -16.6495 33.457 8.64178 13.6215 8.64192 16.4074 GPRESSAVG: 1475800 -13.7768 -15.986 11.603 -17.0125 33.6044 8.31792 15.2292 9.61555 16.6645 TIMING: 1475800 CPU: 4444.43, 0.00297493/step Wall: 4444.43, 0.00297493/step, 2.91229 hours remaining, 208.914062 MB of memory in use. ENERGY: 1475800 721.6540 2073.2368 1925.9421 105.6980 -206228.0567 17994.9901 0.0000 0.0000 34461.9222 -148944.6136 300.9645 -183406.5357 -148850.6167 300.2925 157.3963 189.6709 558233.1943 12.2841 12.1641 PRESSURE: 1476000 47.1805 4.06253 -8.25513 4.06062 -230.115 2.57828 -8.25527 2.57751 51.8802 GPRESSURE: 1476000 54.3474 42.4779 23.437 62.6378 -160.504 25.8749 -104.863 -133.301 72.7248 PRESSAVG: 1476000 -29.1619 -29.2146 -10.9994 -29.2147 -76.7711 26.8395 -10.9994 26.8393 42.555 GPRESSAVG: 1476000 -29.9453 -27.2335 -8.2428 -26.7211 -76.9026 28.5254 -11.9995 26.3051 43.4534 TIMING: 1476000 CPU: 4445.03, 0.00298648/step Wall: 4445.03, 0.00298648/step, 2.92344 hours remaining, 208.914062 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: 1476000 736.5665 2073.1458 1953.0510 110.0602 -205862.6703 17729.7318 0.0000 0.0000 34262.6495 -148997.4656 299.2242 -183260.1151 -148900.4149 300.1866 -43.6846 -11.1438 558620.1030 -21.1260 -21.1315 PRESSURE: 1476200 -27.742 149.062 -33.9013 149.062 -182.899 10.0569 -33.9009 10.0555 68.3955 GPRESSURE: 1476200 76.0033 215.996 -68.1439 180.153 -193.366 126.811 102.645 -20.1596 80.9464 PRESSAVG: 1476200 -3.15954 30.4285 -28.4267 30.4285 -29.5429 8.67557 -28.4266 8.67556 51.4774 GPRESSAVG: 1476200 -2.38746 31.6568 -29.1313 29.7693 -30.8868 7.84996 -28.4424 9.03087 52.0622 TIMING: 1476200 CPU: 4445.62, 0.00298059/step Wall: 4445.62, 0.00298059/step, 2.9175 hours remaining, 208.914062 MB of memory in use. ENERGY: 1476200 764.7954 2070.4497 1914.1352 113.1964 -205661.0423 17769.0695 0.0000 0.0000 34122.3728 -148907.0235 297.9992 -183029.3962 -148813.5521 299.7972 -47.4152 -12.1388 560047.8350 6.2583 6.2626 LDB: ============= START OF LOAD BALANCING ============== 4449.14 LDB: ============== END OF LOAD BALANCING =============== 4449.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4449.14 LDB: ============= START OF LOAD BALANCING ============== 4449.44 LDB: Largest compute 4800 load 0.032492 is 27.6% of average load 0.117851 LDB: Average compute 0.001740 is 1.5% of average load 0.117851 LDB: TIME 4449.44 LOAD: AVG 0.117851 MAX 0.213427 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.016 MB LDB: TIME 4449.44 LOAD: AVG 0.117851 MAX 0.213427 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.219 MB LDB: TIME 4449.44 LOAD: AVG 0.117851 MAX 0.213427 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.219 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4449.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4449.45 PRESSURE: 1476400 -11.0903 96.8273 102.283 96.828 -55.4714 -84.8299 102.283 -84.8286 -69.6732 GPRESSURE: 1476400 24.8111 83.7936 85.7359 114.05 1.9856 -43.4999 96.1032 -202.676 -60.245 PRESSAVG: 1476400 -2.15811 2.0307 6.67593 2.03073 -29.4661 21.0747 6.67598 21.0746 -23.1759 GPRESSAVG: 1476400 -1.33977 -1.25738 5.36023 1.93943 -29.5668 20.5108 8.66435 18.8083 -23.8105 TIMING: 1476400 CPU: 4446.23, 0.00305499/step Wall: 4446.23, 0.00305499/step, 2.99016 hours remaining, 207.746094 MB of memory in use. ENERGY: 1476400 728.9134 2046.8159 1974.7005 110.1348 -205936.9337 17769.1672 0.0000 0.0000 34602.3747 -148704.8272 302.1911 -183307.2020 -148610.6717 300.3120 -45.4117 -11.1494 558956.3585 -18.2667 -18.2390 PRESSURE: 1476600 -264.642 -208.075 23.269 -208.076 -34.6381 156.833 23.2699 156.831 45.318 GPRESSURE: 1476600 -222.113 -175.518 -40.3683 -181.223 26.665 194.955 101.896 64.5644 31.6424 PRESSAVG: 1476600 -29.2418 -6.30929 15.4203 -6.30942 -7.21042 59.5384 15.4203 59.5384 30.9899 GPRESSAVG: 1476600 -29.348 -5.72605 15.0651 -8.46666 -7.26781 61.4035 13.3898 59.1631 30.8042 TIMING: 1476600 CPU: 4446.84, 0.00302609/step Wall: 4446.84, 0.00302609/step, 2.9617 hours remaining, 207.949219 MB of memory in use. ENERGY: 1476600 768.6538 2082.9884 1960.1054 122.4742 -205719.7051 17781.2325 0.0000 0.0000 34451.8391 -148552.4117 300.8765 -183004.2508 -148458.1225 301.0247 -84.6540 -54.6019 560263.2214 -1.8208 -1.9372 PRESSURE: 1476800 -89.6677 -8.66643 246.612 -8.66616 -206.226 -8.2514 246.611 -8.25324 69.7901 GPRESSURE: 1476800 -58.3327 -34.4833 239.899 96.1611 -154.198 -71.0417 264.367 42.9105 83.6944 PRESSAVG: 1476800 -1.11939 18.6499 27.7199 18.6499 1.42958 27.2681 27.7199 27.268 8.65794 GPRESSAVG: 1476800 -1.51678 19.106 28.6077 21.473 2.76658 27.4299 28.3466 27.7841 7.85927 TIMING: 1476800 CPU: 4447.45, 0.00303324/step Wall: 4447.45, 0.00303324/step, 2.96853 hours remaining, 207.949219 MB of memory in use. ENERGY: 1476800 754.9643 2088.6644 1920.9719 109.5291 -206029.0859 17826.4039 0.0000 0.0000 34654.5106 -148674.0417 302.6465 -183328.5523 -148579.1197 301.3066 -75.3678 -42.9454 558679.5988 2.9894 3.0364 PRESSURE: 1477000 -45.4255 46.2753 -162.434 46.2737 91.3559 -120.965 -162.435 -120.965 -229.744 GPRESSURE: 1477000 -58.1763 49.2622 -180.981 -34.3283 139.041 -193.366 -153.419 -141.427 -160.291 PRESSAVG: 1477000 12.9945 43.8181 -41.6443 43.8181 2.3606 27.7454 -41.6443 27.7454 -30.4374 GPRESSAVG: 1477000 12.4717 44.8649 -40.8923 40.3701 0.832989 25.5588 -43.1326 27.1723 -28.3055 TIMING: 1477000 CPU: 4448.06, 0.00307841/step Wall: 4448.06, 0.00307841/step, 3.01257 hours remaining, 207.949219 MB of memory in use. ENERGY: 1477000 770.0388 2013.7938 1943.0357 116.0037 -205660.4374 17634.0508 0.0000 0.0000 34374.4955 -148809.0191 300.2010 -183183.5146 -148711.9225 300.1711 -61.2711 -26.4754 558312.2741 -5.0274 -5.0003 PRESSURE: 1477200 106.852 121.601 -23.0373 121.601 -165.578 -305.138 -23.0368 -305.139 -133.895 GPRESSURE: 1477200 68.7585 100.581 -97.9191 129.272 -127.34 -284.009 30.5364 -282.724 -38.4421 PRESSAVG: 1477200 50.4763 13.8491 -10.7925 13.8491 18.1573 -20.7795 -10.7924 -20.7795 -13.4328 GPRESSAVG: 1477200 51.1593 12.9055 -11.5565 16.9521 19.6032 -19.997 -9.53194 -18.9414 -15.5918 TIMING: 1477200 CPU: 4448.67, 0.00305659/step Wall: 4448.67, 0.00305659/step, 2.99104 hours remaining, 207.949219 MB of memory in use. ENERGY: 1477200 743.4278 2136.9198 1907.5930 120.9483 -205789.4267 17631.7893 0.0000 0.0000 34394.0405 -148854.7080 300.3717 -183248.7485 -148752.6969 300.3092 -64.2071 -32.3414 558794.4128 18.4003 18.3902 PRESSURE: 1477400 -74.624 -105.305 -62.2407 -105.305 51.5226 -72.3545 -62.2403 -72.3542 -2.13478 GPRESSURE: 1477400 -35.352 -59.363 -73.3724 -122.042 55.1271 -150.458 -44.2024 34.8726 47.2389 PRESSAVG: 1477400 -24.739 31.9373 -34.2994 31.9372 -47.3796 -51.6615 -34.2993 -51.6614 73.5623 GPRESSAVG: 1477400 -25.3012 32.488 -34.9246 32.2037 -47.7592 -49.313 -33.7211 -52.8634 74.695 TIMING: 1477400 CPU: 4449.28, 0.00304586/step Wall: 4449.28, 0.00304586/step, 2.98038 hours remaining, 207.949219 MB of memory in use. ENERGY: 1477400 751.6113 2093.7350 1947.2413 131.6622 -206021.5765 17840.3594 0.0000 0.0000 34358.6882 -148898.2792 300.0630 -183256.9673 -148798.7091 299.9358 -8.4120 22.3380 559201.0084 0.4813 0.5449 PRESSURE: 1477600 15.5939 -211.763 -65.5376 -211.763 -104.044 107.677 -65.536 107.679 -265.463 GPRESSURE: 1477600 25.5396 -205.095 -63.4264 -163.788 -73.9231 55.7611 -56.3805 146.058 -215.927 PRESSAVG: 1477600 -59.2368 2.50095 -34.7183 2.50088 -12.9822 -4.01674 -34.7184 -4.01676 66.6542 GPRESSAVG: 1477600 -59.6402 0.522672 -33.9379 0.327404 -12.9605 -5.84986 -35.9564 -5.52233 67.0321 TIMING: 1477600 CPU: 4449.89, 0.00304701/step Wall: 4449.89, 0.00304701/step, 2.98133 hours remaining, 207.949219 MB of memory in use. ENERGY: 1477600 735.4900 2130.3307 1921.5432 107.4372 -205844.5854 17546.5344 0.0000 0.0000 34395.5107 -149007.7392 300.3846 -183403.2499 -148909.4940 300.8181 -117.9708 -88.1034 557176.7764 -1.8549 -1.8562 PRESSURE: 1477800 -78.6016 18.4305 -51.8635 18.4305 -141.533 50.7837 -51.8644 50.7862 68.2588 GPRESSURE: 1477800 -39.9255 29.8451 -153.085 25.7461 -67.1441 52.4748 -13.8152 33.8934 62.5575 PRESSAVG: 1477800 -24.5858 23.7532 -8.59393 23.7533 11.0614 4.61195 -8.59394 4.6118 -20.2384 GPRESSAVG: 1477800 -23.3696 26.146 -9.14876 22.8221 11.9071 3.98833 -6.59687 5.14492 -21.4758 TIMING: 1477800 CPU: 4450.5, 0.00306964/step Wall: 4450.5, 0.00306964/step, 3.0033 hours remaining, 207.949219 MB of memory in use. ENERGY: 1477800 768.4546 2053.7885 1916.0309 107.9246 -206299.9374 17837.3837 0.0000 0.0000 34529.7950 -149086.5601 301.5573 -183616.3551 -148988.3208 299.3654 -50.6251 -14.8374 558720.6680 -11.2543 -10.9794 PRESSURE: 1478000 -85.0226 -67.556 94.1421 -67.5559 -83.8718 -13.3089 94.1419 -13.3075 35.2017 GPRESSURE: 1478000 -126.789 -42.0229 92.7071 -79.3259 -15.1988 -25.794 139.764 35.6399 106.483 PRESSAVG: 1478000 -31.8528 20.2545 29.455 20.2546 2.1133 5.95037 29.4549 5.95043 -1.53811 GPRESSAVG: 1478000 -31.9338 19.0223 28.7854 20.6571 2.18905 6.21831 29.5028 6.62781 -1.50782 TIMING: 1478000 CPU: 4451.11, 0.00304647/step Wall: 4451.11, 0.00304647/step, 2.98046 hours remaining, 207.949219 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: 1478000 741.2003 2127.3153 1938.9445 105.6499 -206161.5810 17785.0452 0.0000 0.0000 34429.0573 -149034.3685 300.6775 -183463.4258 -148943.7028 300.1138 -44.5642 -11.8347 557515.2680 -10.4259 -10.4175 PRESSURE: 1478200 -16.1246 38.9554 -40.8538 38.9565 -87.7631 -152.631 -40.8527 -152.632 -26.8273 GPRESSURE: 1478200 51.6362 73.7424 -76.5074 -6.62867 -156.354 -132.397 -59.0982 -53.3498 71.3441 PRESSAVG: 1478200 -0.032185 1.83925 -45.4281 1.83929 -8.79913 18.0815 -45.4281 18.0815 -0.0781306 GPRESSAVG: 1478200 -0.0323152 2.98499 -44.6144 2.83879 -9.43434 16.4881 -44.3227 18.6032 0.303826 TIMING: 1478200 CPU: 4451.72, 0.00304302/step Wall: 4451.72, 0.00304302/step, 2.97691 hours remaining, 207.949219 MB of memory in use. ENERGY: 1478200 720.3331 2148.1246 1914.3070 118.0337 -206007.2853 17727.7652 0.0000 0.0000 34344.2136 -149034.5080 299.9366 -183378.7217 -148931.8979 299.8720 -43.5717 -11.1246 558291.0616 -2.9698 -3.0543 PRESSURE: 1478400 120.729 33.5077 5.93831 33.5078 252.215 163.798 5.93762 163.797 102.821 GPRESSURE: 1478400 182.374 59.8089 13.1235 58.5519 240.117 218.659 -122.71 119.194 142.353 PRESSAVG: 1478400 7.09952 15.6853 -11.2029 15.6853 -31.9221 -18.6575 -11.203 -18.6572 -18.0297 GPRESSAVG: 1478400 4.97577 16.4882 -12.4965 15.6073 -31.1029 -16.6499 -12.5424 -20.1692 -17.4545 TIMING: 1478400 CPU: 4452.33, 0.00305858/step Wall: 4452.33, 0.00305858/step, 2.99197 hours remaining, 207.949219 MB of memory in use. ENERGY: 1478400 745.7599 2157.4471 1917.0785 113.1097 -206387.1643 18143.0140 0.0000 0.0000 34362.5982 -148948.1569 300.0971 -183310.7552 -148847.6888 299.6988 158.5883 188.2814 557490.1513 -14.2841 -14.5272 PRESSURE: 1478600 148.663 -61.6365 -145.309 -61.638 -115.624 81.2239 -145.309 81.2243 189.523 GPRESSURE: 1478600 102.494 -51.5543 -136.057 -70.7671 7.7498 101.518 -61.9603 69.4082 187.838 PRESSAVG: 1478600 -26.4022 14.658 8.72459 14.6579 9.87263 38.7494 8.72464 38.7494 8.71601 GPRESSAVG: 1478600 -25.0113 11.9349 11.2268 14.9592 9.49342 36.0693 8.394 38.8986 7.32743 TIMING: 1478600 CPU: 4452.94, 0.00302413/step Wall: 4452.94, 0.00302413/step, 2.9581 hours remaining, 207.949219 MB of memory in use. ENERGY: 1478600 755.4142 2144.4721 1910.3076 104.1329 -206418.1186 18152.0004 0.0000 0.0000 34356.6886 -148995.1027 300.0455 -183351.7913 -148894.2145 300.0100 74.1872 99.3607 559359.5057 -2.6045 -2.7302 PRESSURE: 1478800 -101.455 -247.225 -115.351 -247.226 -23.3403 46.9864 -115.35 46.9863 131.372 GPRESSURE: 1478800 -122.788 -203.642 -182.952 -250.953 14.7232 23.399 -65.0548 96.7539 207.943 PRESSAVG: 1478800 -24.0615 -28.9757 -30.3485 -28.9757 13.4477 -12.342 -30.3485 -12.3421 29.7942 GPRESSAVG: 1478800 -24.4359 -28.2359 -31.9792 -30.8325 13.164 -8.24502 -30.1947 -13.0323 30.2222 TIMING: 1478800 CPU: 4453.54, 0.00301864/step Wall: 4453.54, 0.00301864/step, 2.95257 hours remaining, 207.949219 MB of memory in use. ENERGY: 1478800 713.7428 2087.1582 1934.5789 112.4479 -206031.4351 17794.6315 0.0000 0.0000 34254.7769 -149134.0989 299.1555 -183388.8759 -149034.0315 300.0010 2.1922 33.2927 558614.7680 6.3935 6.3168 PRESSURE: 1479000 118.977 -37.3729 97.2804 -37.3734 141.699 211.454 97.2798 211.455 -120.064 GPRESSURE: 1479000 123.483 10.3585 10.6874 -3.64883 155.041 137.869 83.2686 237.965 -37.1259 PRESSAVG: 1479000 -27.3541 -40.4381 -30.7457 -40.4382 -37.0012 0.59588 -30.7457 0.595823 89.7577 GPRESSAVG: 1479000 -28.4139 -38.5598 -30.1882 -39.4235 -36.0075 -3.09275 -31.3634 3.43739 89.7108 TIMING: 1479000 CPU: 4454.15, 0.00303502/step Wall: 4454.15, 0.00303502/step, 2.96841 hours remaining, 207.949219 MB of memory in use. ENERGY: 1479000 760.1357 2080.1826 1967.7483 110.9948 -206445.2852 18090.4073 0.0000 0.0000 34323.2060 -149112.6106 299.7531 -183435.8166 -149011.4591 299.2781 46.8705 80.4659 558313.2500 8.4675 8.4298 PRESSURE: 1479200 59.5453 52.0306 -8.90392 52.029 109.809 -52.7072 -8.90431 -52.7079 213.104 GPRESSURE: 1479200 103.365 73.4717 3.51084 23.5731 162.474 70.6758 56.3375 -145.346 214.647 PRESSAVG: 1479200 24.7991 -44.5826 26.7552 -44.5826 -24.0541 25.108 26.7552 25.108 12.3289 GPRESSAVG: 1479200 26.3498 -46.3202 25.7928 -44.9267 -26.83 27.5513 27.2249 23.5472 13.1201 TIMING: 1479200 CPU: 4454.76, 0.00304727/step Wall: 4454.76, 0.00304727/step, 2.98023 hours remaining, 207.949219 MB of memory in use. ENERGY: 1479200 733.3474 2157.5532 1932.9965 107.4868 -206280.3788 17985.3474 0.0000 0.0000 34194.3123 -149169.3352 298.6274 -183363.6476 -149074.3114 299.3868 127.4860 160.1620 557763.8159 4.3580 4.2133 PRESSURE: 1479400 184.785 -49.1738 -95.4011 -49.1731 -5.59567 16.4851 -95.4005 16.4864 -157.37 GPRESSURE: 1479400 180.57 -106.511 -118.916 -15.4837 46.4546 -16.7439 5.59573 36.5564 -114.704 PRESSAVG: 1479400 -30.0433 -4.53066 37.501 -4.53067 18.8472 -22.9997 37.5011 -22.9996 9.69181 GPRESSAVG: 1479400 -30.1183 -4.40872 38.5661 -2.62541 21.096 -25.8527 36.9817 -22.2383 8.40176 TIMING: 1479400 CPU: 4455.36, 0.00301021/step Wall: 4455.36, 0.00301021/step, 2.94382 hours remaining, 207.949219 MB of memory in use. ENERGY: 1479400 765.0614 2165.8758 1937.7095 128.7698 -206223.9286 17952.8600 0.0000 0.0000 34076.8894 -149196.7628 297.6020 -183273.6522 -149101.9872 299.9545 7.2731 37.4402 558373.2289 -0.5014 -0.2069 PRESSURE: 1479600 -43.3499 72.7507 -41.1136 72.7497 -469.156 10.1078 -41.1146 10.1084 -363.741 GPRESSURE: 1479600 -26.9822 108.674 -84.8508 126.678 -409.174 -64.3999 9.89034 12.5304 -337.06 PRESSAVG: 1479600 11.3317 -25.0945 -4.46479 -25.0944 69.2317 17.03 -4.46487 17.03 -63.612 GPRESSAVG: 1479600 10.9251 -24.706 -5.42212 -25.6952 68.055 20.2576 -3.0739 15.2766 -62.3418 TIMING: 1479600 CPU: 4455.96, 0.0030052/step Wall: 4455.96, 0.0030052/step, 2.93876 hours remaining, 207.949219 MB of memory in use. ENERGY: 1479600 802.7271 2090.1823 1928.7202 112.0540 -206112.5617 17523.3506 0.0000 0.0000 34384.9869 -149270.5407 300.2926 -183655.5276 -149168.1147 299.5575 -292.0823 -257.7390 558883.4110 5.6504 5.5461 PRESSURE: 1479800 24.5632 -92.1302 117.63 -92.1299 -171.522 0.853228 117.632 0.853704 -49.382 GPRESSURE: 1479800 36.3787 -122.022 133.641 -16.1477 -130.015 96.2912 107.023 -96.5375 -1.655 PRESSAVG: 1479800 13.3667 20.3318 16.9014 20.3317 -13.0297 4.49629 16.9014 4.49631 -13.4867 GPRESSAVG: 1479800 13.0168 19.8123 16.7695 20.5348 -11.057 4.50033 15.5023 6.33025 -14.66 TIMING: 1479800 CPU: 4456.56, 0.00301233/step Wall: 4456.56, 0.00301233/step, 2.94555 hours remaining, 207.949219 MB of memory in use. ENERGY: 1479800 760.4555 2093.3658 1945.4744 114.3455 -206045.4501 17815.4289 0.0000 0.0000 34036.8424 -149279.5376 297.2522 -183316.3800 -149180.6642 298.4469 -65.4468 -31.7636 558467.1901 -4.3832 -4.2334 PRESSURE: 1480000 -201.226 -162.368 -1.48656 -162.369 -222.383 -64.007 -1.48741 -64.0064 -260.727 GPRESSURE: 1480000 -172.003 -204.552 58.2686 -168.451 -196.918 -93.6584 34.6482 36.8879 -221.001 PRESSAVG: 1480000 -31.581 -33.9953 9.7929 -33.9953 13.8548 47.6479 9.79296 47.648 -14.5603 GPRESSAVG: 1480000 -30.0188 -32.741 10.4596 -36.5688 12.3275 46.3542 12.6694 46.9656 -15.3277 TIMING: 1480000 CPU: 4457.17, 0.00304843/step Wall: 4457.17, 0.00304843/step, 2.98069 hours remaining, 207.949219 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: 1480000 750.4719 2115.9218 1918.5933 120.2728 -205993.6556 17497.1593 0.0000 0.0000 34227.6938 -149363.5426 298.9190 -183591.2365 -149267.1124 299.2893 -228.1120 -196.6407 558890.5376 -10.7622 -11.0063 PRESSURE: 1480200 111.806 -82.9344 -145.988 -82.9352 -25.2392 -15.1307 -145.987 -15.1294 -312.245 GPRESSURE: 1480200 143.067 -40.2448 -194.778 -99.3841 4.42629 -23.6438 -64.2672 -12.7662 -286.395 PRESSAVG: 1480200 -12.5415 -18.3655 8.35654 -18.3654 14.653 -29.2121 8.35647 -29.2121 3.17357 GPRESSAVG: 1480200 -13.5916 -18.2864 7.99422 -15.4504 14.2081 -29.0406 6.42603 -29.4327 5.33852 TIMING: 1480200 CPU: 4457.78, 0.00303397/step Wall: 4457.78, 0.00303397/step, 2.96638 hours remaining, 207.949219 MB of memory in use. ENERGY: 1480200 740.2548 2084.2968 1926.9190 111.7703 -206132.9937 17757.7054 0.0000 0.0000 34283.4493 -149228.5982 299.4059 -183512.0475 -149128.9483 298.7685 -75.2263 -46.3008 559289.9100 1.7617 1.9850 LDB: ============= START OF LOAD BALANCING ============== 4461.3 LDB: ============== END OF LOAD BALANCING =============== 4461.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4461.3 LDB: ============= START OF LOAD BALANCING ============== 4461.6 LDB: Largest compute 4800 load 0.030571 is 26.0% of average load 0.117786 LDB: Average compute 0.001734 is 1.5% of average load 0.117786 LDB: TIME 4461.6 LOAD: AVG 0.117786 MAX 0.214492 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.504 MB LDB: TIME 4461.6 LOAD: AVG 0.117786 MAX 0.214492 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.504 MB LDB: TIME 4461.61 LOAD: AVG 0.117786 MAX 0.214492 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.504 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4461.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4461.61 PRESSURE: 1480400 -446.653 -28.5355 38.1646 -28.5345 -220.398 29.1912 38.1646 29.1924 -246.356 GPRESSURE: 1480400 -411.432 -26.7498 47.5424 -26.566 -163.127 132.394 28.2417 23.2275 -237.804 PRESSAVG: 1480400 -72.8196 -67.4003 5.36849 -67.4003 92.2881 20.5783 5.36848 20.5782 5.29881 GPRESSAVG: 1480400 -73.2429 -66.1191 6.4554 -68.305 93.2748 20.5398 4.5888 20.4199 5.15908 TIMING: 1480400 CPU: 4458.39, 0.00306733/step Wall: 4458.39, 0.00306733/step, 2.99882 hours remaining, 208.656250 MB of memory in use. ENERGY: 1480400 770.6037 2151.6003 1912.7390 114.1558 -205939.1574 17444.1100 0.0000 0.0000 34234.2032 -149311.7454 298.9758 -183545.9486 -149213.7101 299.0671 -304.4690 -270.7877 558392.3597 8.2558 8.3970 PRESSURE: 1480600 14.691 -241.412 219.59 -241.413 17.2671 -129.974 219.589 -129.972 -175.098 GPRESSURE: 1480600 118.807 -252.859 188.199 -242.345 8.99837 -141.615 213.823 -98.3674 -172.5 PRESSAVG: 1480600 -72.5716 -30.9432 7.8813 -30.9432 42.5452 17.5035 7.88122 17.5034 -21.3765 GPRESSAVG: 1480600 -71.2149 -31.9004 6.69153 -30.4099 41.7617 18.0274 7.10002 18.8357 -22.2064 TIMING: 1480600 CPU: 4458.99, 0.00299508/step Wall: 4458.99, 0.00299508/step, 2.92802 hours remaining, 208.800781 MB of memory in use. ENERGY: 1480600 742.4327 2148.5006 1912.1118 105.9228 -206523.3758 17932.0134 0.0000 0.0000 34206.4437 -149475.9509 298.7334 -183682.3946 -149380.0858 298.4707 -47.7133 -14.8983 559035.4958 -17.1343 -17.2199 PRESSURE: 1480800 -47.0105 42.9165 -110.376 42.9163 -120.637 -203.564 -110.377 -203.563 19.4421 GPRESSURE: 1480800 -71.0683 100.466 -19.7979 -22.4363 -34.5978 -196.541 -100.93 -214.469 46.3222 PRESSAVG: 1480800 17.7428 -30.2822 29.7466 -30.2822 -17.3138 5.01295 29.7467 5.0129 16.969 GPRESSAVG: 1480800 15.3351 -30.3423 29.1225 -30.6246 -16.1048 4.8216 31.9947 3.26108 17.9644 TIMING: 1480800 CPU: 4459.59, 0.00299848/step Wall: 4459.59, 0.00299848/step, 2.93118 hours remaining, 208.800781 MB of memory in use. ENERGY: 1480800 720.5069 2069.4586 1921.4174 109.3984 -205965.7024 17722.2617 0.0000 0.0000 33997.3026 -149425.3567 296.9069 -183422.6593 -149327.9504 298.2991 -49.4018 -19.7813 558520.7619 5.7993 5.7316 PRESSURE: 1481000 -11.2628 162.013 -2.84643 162.013 84.1402 -6.06902 -2.8456 -6.06871 170.914 GPRESSURE: 1481000 4.28309 129.119 17.8239 52.4222 156.146 -4.94927 -24.8707 67.4187 174.396 PRESSAVG: 1481000 -62.2259 -11.5637 -9.85879 -11.5637 28.4906 20.7429 -9.85886 20.7428 18.0101 GPRESSAVG: 1481000 -61.683 -12.171 -7.89271 -9.76957 27.6776 20.6088 -12.618 22.4897 18.0046 TIMING: 1481000 CPU: 4460.2, 0.00303488/step Wall: 4460.2, 0.00303488/step, 2.96659 hours remaining, 208.800781 MB of memory in use. ENERGY: 1481000 774.2067 2078.6518 1961.3636 134.0045 -206242.1662 17854.4310 0.0000 0.0000 34092.0410 -149347.4676 297.7343 -183439.5086 -149257.1298 298.4263 81.2638 111.6084 557258.8482 -5.2417 -5.3336 PRESSURE: 1481200 -119.005 -57.2403 -42.928 -57.2401 -13.2456 -91.385 -42.9281 -91.3853 -108.477 GPRESSURE: 1481200 -79.2345 2.48352 -73.1457 -79.6432 -12.2138 -116.635 -43.3812 -38.914 -54.4483 PRESSAVG: 1481200 21.9031 12.3947 -8.84412 12.3947 15.7865 3.49835 -8.84416 3.49839 -32.51 GPRESSAVG: 1481200 22.9709 13.5018 -9.28274 11.7927 14.926 1.28054 -6.70006 5.07681 -33.3918 TIMING: 1481200 CPU: 4460.8, 0.00300817/step Wall: 4460.8, 0.00300817/step, 2.94032 hours remaining, 208.800781 MB of memory in use. ENERGY: 1481200 779.8127 2138.9002 1930.1501 117.4589 -205915.5631 17543.7822 0.0000 0.0000 34066.8002 -149338.6589 297.5138 -183405.4591 -149246.2294 298.7433 -80.2426 -48.6322 557812.4268 1.7265 1.5017 PRESSURE: 1481400 23.683 7.12012 -143.476 7.12149 -318.618 96.6773 -143.476 96.677 -141.627 GPRESSURE: 1481400 3.4776 -40.2894 -44.7096 51.3688 -250.067 32.3985 -157.148 120.881 -80.613 PRESSAVG: 1481400 -10.1964 27.2198 21.2729 27.2199 -63.2995 10.9595 21.2729 10.9595 54.7568 GPRESSAVG: 1481400 -10.3931 26.7449 22.0496 26.2248 -62.497 10.622 20.3985 8.85196 54.2654 TIMING: 1481400 CPU: 4461.4, 0.00299154/step Wall: 4461.4, 0.00299154/step, 2.9239 hours remaining, 208.925781 MB of memory in use. ENERGY: 1481400 767.4557 2079.4800 1917.4127 108.6748 -206408.2852 17827.5299 0.0000 0.0000 34356.8522 -149350.8800 300.0469 -183707.7322 -149253.6179 298.6414 -145.5204 -109.0675 558745.9441 -6.2463 -6.2082 PRESSURE: 1481600 289.168 -22.6609 -45.641 -22.6596 75.0583 -28.7626 -45.6407 -28.7626 -139.832 GPRESSURE: 1481600 294.412 -17.2397 2.09165 27.5384 62.5234 27.3986 -32.383 -54.4043 -30.1603 PRESSAVG: 1481600 49.8561 67.3741 20.9456 67.374 -38.1549 34.7955 20.9456 34.7955 -28.7042 GPRESSAVG: 1481600 48.9139 66.5532 20.1394 67.2924 -38.2112 37.2754 20.6206 34.4924 -27.3549 TIMING: 1481600 CPU: 4462, 0.00300576/step Wall: 4462, 0.00300576/step, 2.93763 hours remaining, 208.925781 MB of memory in use. ENERGY: 1481600 783.6968 2159.1704 1952.3424 100.4457 -206626.6159 18132.1940 0.0000 0.0000 34267.4436 -149231.3230 299.2661 -183498.7666 -149134.6478 299.3017 74.7983 108.9252 557679.9585 -5.6677 -5.5507 PRESSURE: 1481800 -70.6925 -43.1513 -26.1014 -43.1515 277.92 -66.5217 -26.1016 -66.5224 -59.637 GPRESSURE: 1481800 -19.8801 33.6731 -109.816 -37.7687 274.541 -60.0363 62.1606 -15.9418 -32.2283 PRESSAVG: 1481800 28.8258 67.9908 -46.052 67.9909 36.9508 -9.32697 -46.0519 -9.32685 -49.1892 GPRESSAVG: 1481800 30.2927 66.8881 -46.8507 71.1413 37.5715 -10.1851 -46.4211 -7.95671 -51.5589 TIMING: 1481800 CPU: 4462.61, 0.00303324/step Wall: 4462.61, 0.00303324/step, 2.96432 hours remaining, 208.925781 MB of memory in use. ENERGY: 1481800 759.4299 2099.0736 1962.5256 105.5479 -206408.7011 17951.1587 0.0000 0.0000 34384.5658 -149146.3998 300.2890 -183530.9656 -149044.5706 298.8272 49.1969 74.1443 557858.0430 5.5291 5.4351 PRESSURE: 1482000 26.2944 76.8849 6.8671 76.8835 -135.452 17.2333 6.86796 17.2337 -173.033 GPRESSURE: 1482000 37.1767 162.221 10.4662 26.9344 -57.125 3.31384 38.3151 -29.6586 -165.787 PRESSAVG: 1482000 -3.63217 41.3788 43.308 41.3788 22.4531 23.7095 43.308 23.7095 32.1121 GPRESSAVG: 1482000 -4.55363 42.6073 45.4331 38.3811 21.3746 23.0396 43.0195 23.817 34.6015 TIMING: 1482000 CPU: 4463.21, 0.00301506/step Wall: 4463.21, 0.00301506/step, 2.94639 hours remaining, 208.925781 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: 1482000 749.2120 2091.9247 1938.3721 118.6262 -205989.1717 17627.3194 0.0000 0.0000 34284.9505 -149178.7668 299.4190 -183463.7172 -149077.0577 299.8807 -94.0634 -61.9119 556823.5514 16.9777 17.1408 PRESSURE: 1482200 11.856 -50.4129 -163.012 -50.4118 -218.194 56.5521 -163.011 56.5525 95.7517 GPRESSURE: 1482200 39.7515 -5.92127 -122.433 -46.852 -174.936 -27.2436 -130.778 3.96776 105.507 PRESSAVG: 1482200 -56.3269 -7.5282 -23.7469 -7.52822 64.1996 -33.6445 -23.7469 -33.6445 23.2552 GPRESSAVG: 1482200 -57.7776 -7.29166 -22.3918 -7.60603 64.9035 -33.548 -23.7309 -32.4505 23.6942 TIMING: 1482200 CPU: 4463.81, 0.00299636/step Wall: 4463.81, 0.00299636/step, 2.92794 hours remaining, 208.925781 MB of memory in use. ENERGY: 1482200 768.0348 2113.8427 1940.0008 108.8571 -206232.3272 17599.8205 0.0000 0.0000 34426.9395 -149274.8318 300.6590 -183701.7713 -149181.9706 299.0234 -36.8623 -9.8926 555473.9734 10.3760 10.2734 PRESSURE: 1482400 111.88 186.302 -78.1432 186.303 169.086 119.673 -78.1427 119.673 -85.0532 GPRESSURE: 1482400 155.833 163.546 -106.661 161.207 223.726 126.664 -30.1532 111.011 -87.1647 PRESSAVG: 1482400 -16.8516 4.86001 20.3233 4.85998 -21.6646 -28.6851 20.3233 -28.6852 30.5925 GPRESSAVG: 1482400 -16.4805 4.54235 20.0824 3.97699 -21.7653 -28.0904 19.2731 -31.7099 30.5915 TIMING: 1482400 CPU: 4464.4, 0.00296949/step Wall: 4464.4, 0.00296949/step, 2.90153 hours remaining, 208.925781 MB of memory in use. ENERGY: 1482400 785.2202 2114.6387 1939.8773 114.9906 -206322.4965 17973.6522 0.0000 0.0000 34126.9206 -149267.1969 298.0389 -183394.1175 -149176.4066 299.4990 65.3043 97.4649 557025.8154 -2.6412 -2.5515 PRESSURE: 1482600 -65.9749 -114.457 18.6913 -114.456 -300.355 -20.6857 18.6922 -20.6861 -337.652 GPRESSURE: 1482600 -41.8164 -158.592 11.9252 -49.0634 -224.345 25.6926 33.6084 -58.5914 -352.117 PRESSAVG: 1482600 32.2639 -4.33057 -41.5054 -4.3305 -19.2144 14.2988 -41.5054 14.2988 -83.0952 GPRESSAVG: 1482600 33.5699 -4.40158 -42.4978 -3.84051 -19.7776 14.3812 -39.3135 14.5411 -83.6936 TIMING: 1482600 CPU: 4465.01, 0.00300982/step Wall: 4465.01, 0.00300982/step, 2.94076 hours remaining, 208.925781 MB of memory in use. ENERGY: 1482600 745.7421 2103.6523 1944.0013 115.6622 -206150.2097 17583.6404 0.0000 0.0000 34217.6204 -149439.8909 298.8310 -183657.5113 -149344.5486 298.8764 -234.6605 -206.0927 557829.6224 -23.3486 -23.3004 PRESSURE: 1482800 -186.562 -89.6593 2.79658 -89.6589 -15.0169 33.8304 2.79665 33.8304 -20.2762 GPRESSURE: 1482800 -119.062 -20.6586 34.588 -32.2525 12.3237 116.801 -57.1028 -57.0876 -17.7501 PRESSAVG: 1482800 52.9948 -37.9195 -10.5408 -37.9194 -20.8623 23.235 -10.5408 23.2351 -38.5512 GPRESSAVG: 1482800 53.7066 -37.8094 -11.1375 -36.438 -20.0167 24.4288 -10.8728 20.772 -39.6633 TIMING: 1482800 CPU: 4465.62, 0.00305637/step Wall: 4465.62, 0.00305637/step, 2.98607 hours remaining, 208.925781 MB of memory in use. ENERGY: 1482800 774.8652 2171.0451 1943.1607 123.5718 -206492.0408 17746.8975 0.0000 0.0000 34253.9852 -149478.5153 299.1486 -183732.5005 -149390.7983 298.4924 -73.9516 -41.4960 555863.6023 -2.1396 -1.9911 PRESSURE: 1483000 47.2679 29.6378 258.62 29.6389 68.0972 114.609 258.619 114.609 -116.834 GPRESSURE: 1483000 24.7171 32.5017 287.106 68.6564 79.1772 123.291 265.258 190.302 -10.4449 PRESSAVG: 1483000 57.5093 -9.15221 43.6361 -9.15225 15.6172 13.2488 43.6361 13.2488 -55.4439 GPRESSAVG: 1483000 55.6866 -9.10531 43.8887 -11.4124 16.0433 12.0023 44.0917 15.7696 -54.4662 TIMING: 1483000 CPU: 4466.23, 0.00304532/step Wall: 4466.23, 0.00304532/step, 2.97511 hours remaining, 208.925781 MB of memory in use. ENERGY: 1483000 770.7608 2067.2926 1931.5835 107.3552 -207057.3266 18191.5808 0.0000 0.0000 34363.9288 -149624.8248 300.1087 -183988.7537 -149523.4953 298.5911 -0.4897 31.1498 556810.4821 5.8942 5.7546 PRESSURE: 1483200 33.7946 -12.3457 -128.594 -12.3453 46.5982 -86.1441 -128.594 -86.1432 55.7359 GPRESSURE: 1483200 53.3486 5.48004 -111.347 -56.3192 124.821 -14.614 -165.802 -158.964 61.9759 PRESSAVG: 1483200 24.685 -9.50633 -14.8443 -9.50632 2.90552 -13.2495 -14.8443 -13.2494 -32.1758 GPRESSAVG: 1483200 24.7669 -10.0678 -15.503 -6.70025 2.59896 -10.2389 -14.0375 -13.5711 -32.1742 TIMING: 1483200 CPU: 4466.84, 0.00305725/step Wall: 4466.84, 0.00305725/step, 2.98659 hours remaining, 208.925781 MB of memory in use. ENERGY: 1483200 746.6753 2096.3611 1942.9116 125.8472 -206642.7070 17885.5007 0.0000 0.0000 34169.3819 -149676.0292 298.4097 -183845.4112 -149585.4608 297.6329 45.3762 80.0484 557303.1408 -1.5285 -1.6028 PRESSURE: 1483400 -186.93 -84.6797 -6.91579 -84.6788 -65.283 59.2747 -6.91673 59.2766 -32.0048 GPRESSURE: 1483400 -261.323 -83.8326 46.7914 -3.58733 41.5699 41.5871 -0.456305 59.8466 30.6053 PRESSAVG: 1483400 10.9174 -11.954 17.4538 -11.954 -16.1907 -30.7996 17.4537 -30.7997 10.5846 GPRESSAVG: 1483400 10.4978 -10.4378 17.1596 -14.9986 -16.4306 -33.6947 17.3792 -28.835 11.4646 TIMING: 1483400 CPU: 4467.45, 0.00303441/step Wall: 4467.45, 0.00303441/step, 2.96411 hours remaining, 208.925781 MB of memory in use. ENERGY: 1483400 767.9403 2072.0627 1920.2348 122.3663 -206363.0848 17624.0539 0.0000 0.0000 34272.8775 -149583.5492 299.3136 -183856.4267 -149486.6336 298.4817 -94.7392 -63.0494 556922.9281 1.7704 1.8439 PRESSURE: 1483600 -17.0142 60.7401 67.7983 60.7387 -152.243 154.52 67.7984 154.518 -116.873 GPRESSURE: 1483600 83.6287 177.606 71.9563 -26.3281 -78.2865 98.9279 47.3412 168.609 -194.844 PRESSAVG: 1483600 8.17161 -40.2528 32.9033 -40.2528 11.2248 -23.235 32.9033 -23.235 8.4727 GPRESSAVG: 1483600 9.45734 -41.1271 33.8349 -38.9033 10.6963 -24.5477 32.6822 -24.0775 8.39489 TIMING: 1483600 CPU: 4468.05, 0.00301121/step Wall: 4468.05, 0.00301121/step, 2.94129 hours remaining, 208.925781 MB of memory in use. ENERGY: 1483600 774.6455 2125.8930 1915.5112 106.5160 -206347.3507 17655.7934 0.0000 0.0000 34145.2731 -149623.7184 298.1992 -183768.9916 -149528.1298 298.5720 -95.3767 -63.1672 555596.6139 9.2897 9.5162 PRESSURE: 1483800 160.755 268.257 0.373647 268.256 236.704 -62.7673 0.372408 -62.7662 65.8993 GPRESSURE: 1483800 255.089 197.406 -20.4362 302.791 238.169 -115.496 43.0999 -25.0403 62.2362 PRESSAVG: 1483800 -22.259 -58.261 33.1898 -58.261 41.6287 -12.9393 33.1898 -12.9392 -27.9431 GPRESSAVG: 1483800 -22.1835 -57.7921 33.4707 -56.2276 41.7612 -11.4858 34.4839 -12.776 -28.2694 TIMING: 1483800 CPU: 4468.65, 0.00299615/step Wall: 4468.65, 0.00299615/step, 2.92641 hours remaining, 208.925781 MB of memory in use. ENERGY: 1483800 774.3266 2130.8676 1945.7005 109.9128 -206984.2962 18221.8120 0.0000 0.0000 34281.9961 -149519.6806 299.3932 -183801.6766 -149421.5724 297.6953 154.4531 185.1646 556908.1030 -2.8578 -2.8972 PRESSURE: 1484000 -292.311 36.5403 -128.65 36.5398 -45.7381 124.465 -128.651 124.467 -68.5751 GPRESSURE: 1484000 -264.003 30.8873 -33.0488 89.9346 -24.5694 47.505 -200.462 199.17 -30.823 PRESSAVG: 1484000 -26.3304 -30.1529 7.28573 -30.153 59.3507 -4.37231 7.28568 -4.37226 -41.9658 GPRESSAVG: 1484000 -26.2954 -29.5039 7.07948 -32.9951 58.815 -4.70698 7.21418 -6.45644 -40.8988 TIMING: 1484000 CPU: 4469.25, 0.00302152/step Wall: 4469.25, 0.00302152/step, 2.95102 hours remaining, 208.925781 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: 1484000 782.4617 2102.1505 1960.0649 115.6991 -206341.3170 17837.8695 0.0000 0.0000 33998.8062 -149544.2651 296.9200 -183543.0713 -149448.3054 297.9898 -135.5413 -106.4651 558130.0671 -2.9818 -2.7931 PRESSURE: 1484200 -285.599 61.0316 -95.1643 61.0312 -100.959 71.6094 -95.1642 71.6106 -217.28 GPRESSURE: 1484200 -240.166 30.8537 -101.484 21.8388 -61.3777 109.403 -62.4745 146.109 -204.585 PRESSAVG: 1484200 34.0001 45.087 7.82009 45.0871 -42.9042 -35.7415 7.8201 -35.7414 38.8719 GPRESSAVG: 1484200 35.0786 46.5425 6.32943 45.3052 -42.749 -36.4838 8.99393 -33.856 37.7166 TIMING: 1484200 CPU: 4469.85, 0.00301826/step Wall: 4469.85, 0.00301826/step, 2.94766 hours remaining, 208.925781 MB of memory in use. ENERGY: 1484200 774.2188 2062.3335 1924.5104 109.4633 -206129.5230 17728.8283 0.0000 0.0000 34137.3079 -149392.8608 298.1296 -183530.1687 -149301.7206 298.0791 -201.2796 -168.7096 559258.4629 9.9893 10.0154 LDB: ============= START OF LOAD BALANCING ============== 4473.38 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4473.38 LDB: =============== DONE WITH MIGRATION ================ 4473.38 LDB: ============= START OF LOAD BALANCING ============== 4473.68 LDB: Largest compute 4800 load 0.031238 is 26.5% of average load 0.117890 LDB: Average compute 0.001740 is 1.5% of average load 0.117890 LDB: TIME 4473.69 LOAD: AVG 0.11789 MAX 0.216698 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.07 MB LDB: TIME 4473.69 LOAD: AVG 0.11789 MAX 0.216698 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.273 MB LDB: TIME 4473.69 LOAD: AVG 0.11789 MAX 0.216698 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.273 MB LDB: ============== END OF LOAD BALANCING =============== 4473.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4473.69 PRESSURE: 1484400 -311.218 132.151 -64.0681 132.151 -66.08 66.4428 -64.0676 66.4424 -199.328 GPRESSURE: 1484400 -269.506 158.937 -24.8024 161.584 -42.7545 -11.2057 -56.7094 122.415 -161.751 PRESSAVG: 1484400 5.00279 24.29 12.8785 24.29 21.0514 -47.5673 12.8784 -47.5673 -21.0663 GPRESSAVG: 1484400 4.04019 24.2254 14.0636 24.976 21.8222 -46.3329 10.8111 -47.7939 -20.4102 TIMING: 1484400 CPU: 4470.47, 0.00310131/step Wall: 4470.47, 0.00310131/step, 3.0286 hours remaining, 207.757812 MB of memory in use. ENERGY: 1484400 751.9399 2091.2716 1941.8362 109.8554 -206318.2274 17621.1664 0.0000 0.0000 34346.7407 -149455.4173 299.9586 -183802.1580 -149357.6125 298.5103 -192.2087 -158.0039 559398.1789 1.6626 1.8174 PRESSURE: 1484600 -33.0422 -19.8248 218.103 -19.8247 -240.715 -89.7863 218.103 -89.7847 79.3959 GPRESSURE: 1484600 -41.3905 66.3534 199.374 -113.54 -184.442 -147.016 211.627 -32.9259 119.173 PRESSAVG: 1484600 46.0963 -26.7169 14.7569 -26.717 -82.3068 -21.5236 14.7569 -21.5235 44.999 GPRESSAVG: 1484600 45.3437 -26.9115 16.3357 -26.8292 -82.3073 -22.8492 13.8264 -20.531 45.3595 TIMING: 1484600 CPU: 4471.08, 0.00305014/step Wall: 4471.08, 0.00305014/step, 2.97846 hours remaining, 207.757812 MB of memory in use. ENERGY: 1484600 751.5819 2099.2023 1940.1756 127.1801 -206586.0625 17928.6745 0.0000 0.0000 34331.9416 -149407.3064 299.8294 -183739.2480 -149312.2458 299.1316 -64.7871 -35.5532 558199.5215 2.9295 2.7987 PRESSURE: 1484800 433.225 -34.3206 -90.9778 -34.3208 134.653 85.855 -90.9773 85.8561 134.813 GPRESSURE: 1484800 480.526 -88.8602 -71.4078 16.4645 211.252 87.0817 -96.4392 12.5067 103.945 PRESSAVG: 1484800 53.3708 -42.3099 20.6088 -42.3099 -26.7685 -24.4203 20.6087 -24.4203 -32.2412 GPRESSAVG: 1484800 54.0334 -43.0149 20.1367 -42.4725 -26.6139 -23.8614 22.0364 -25.1597 -32.2615 TIMING: 1484800 CPU: 4471.69, 0.00302245/step Wall: 4471.69, 0.00302245/step, 2.95126 hours remaining, 207.757812 MB of memory in use. ENERGY: 1484800 727.5769 2091.0783 1906.3384 111.7432 -206735.2722 18382.5784 0.0000 0.0000 34197.6660 -149318.2911 298.6567 -183515.9570 -149213.3796 298.9948 234.2307 265.2409 557835.6803 -1.8796 -1.6140 PRESSURE: 1485000 -133.811 62.3242 -153.722 62.3249 30.7388 -93.199 -153.722 -93.1984 62.6966 GPRESSURE: 1485000 -76.3505 146.331 -122.462 -2.62498 32.6626 -78.4535 -202.78 -98.9217 97.0703 PRESSAVG: 1485000 39.233 0.567453 19.8811 0.56753 -0.538931 8.47931 19.881 8.47929 -45.5652 GPRESSAVG: 1485000 38.0087 1.37303 20.1858 -1.30237 -0.115395 9.33483 19.8165 7.37528 -44.6644 TIMING: 1485000 CPU: 4472.29, 0.00301344/step Wall: 4472.29, 0.00301344/step, 2.94229 hours remaining, 207.757812 MB of memory in use. ENERGY: 1485000 729.8290 2141.5504 1909.8539 109.8060 -206256.6548 17758.6653 0.0000 0.0000 34077.3444 -149529.6059 297.6059 -183606.9503 -149423.9123 298.8061 -13.4586 17.7941 557834.1886 -2.2904 -2.2570 PRESSURE: 1485200 1.63528 9.28118 215.509 9.28168 -55.2704 -102.725 215.509 -102.725 -64.9188 GPRESSURE: 1485200 14.5634 -133.209 202.398 118.346 30.0539 -127.489 221.972 13.7382 -72.7779 PRESSAVG: 1485200 -25.8142 -2.6154 11.242 -2.61533 69.9711 -7.93003 11.242 -7.9299 -36.0535 GPRESSAVG: 1485200 -24.7106 -3.14479 9.96221 -2.15537 70.1074 -8.34272 11.947 -6.04909 -37.4404 TIMING: 1485200 CPU: 4472.89, 0.00300534/step Wall: 4472.89, 0.00300534/step, 2.93421 hours remaining, 207.757812 MB of memory in use. ENERGY: 1485200 728.7329 2140.2314 1929.6808 101.9218 -206623.5648 17731.4618 0.0000 0.0000 34438.6260 -149552.9100 300.7611 -183991.5360 -149463.7684 299.1706 -39.5180 -9.3868 555990.1469 2.7011 2.6521 PRESSURE: 1485400 67.0319 -3.58892 133.23 -3.59037 -91.1352 22.0692 133.231 22.0696 -243.309 GPRESSURE: 1485400 100.056 -39.976 82.2013 -70.5454 -60.8199 -72.514 169.881 40.5368 -225.443 PRESSAVG: 1485400 22.7156 34.2289 30.1099 34.2287 25.025 -37.6311 30.1098 -37.6311 -54.8139 GPRESSAVG: 1485400 23.008 32.1338 32.5365 37.9577 25.0102 -38.2289 28.1884 -38.7103 -55.0936 TIMING: 1485400 CPU: 4473.49, 0.00299513/step Wall: 4473.49, 0.00299513/step, 2.92408 hours remaining, 207.757812 MB of memory in use. ENERGY: 1485400 756.4527 2025.7656 1932.1021 112.7906 -206221.9315 17701.7039 0.0000 0.0000 34271.4401 -149421.6766 299.3010 -183693.1167 -149319.9877 299.2689 -89.1375 -62.0691 556916.8302 -2.3578 -2.3585 PRESSURE: 1485600 -18.6155 -63.4791 -22.4705 -63.48 133.13 19.8392 -22.4699 19.8381 -121.24 GPRESSURE: 1485600 33.3941 -118.38 -28.2616 -74.6264 153.246 43.0818 -62.2504 49.7559 -88.991 PRESSAVG: 1485600 -50.2159 22.5651 -30.5766 22.5651 55.6733 38.6714 -30.5766 38.6715 3.76249 GPRESSAVG: 1485600 -50.516 24.7987 -33.7792 18.6425 55.6786 38.5042 -29.4838 38.2582 4.53078 TIMING: 1485600 CPU: 4474.09, 0.00301093/step Wall: 4474.09, 0.00301093/step, 2.93933 hours remaining, 207.757812 MB of memory in use. ENERGY: 1485600 780.7290 2123.8173 1907.9241 125.9443 -206807.1560 18062.4019 0.0000 0.0000 34315.9309 -149490.4086 299.6896 -183806.3395 -149396.3550 298.7011 -2.2418 32.5496 556640.8671 3.0733 3.2311 PRESSURE: 1485800 -264.256 -129.216 24.4626 -129.215 -277.186 94.2961 24.4631 94.2973 -159.415 GPRESSURE: 1485800 -218.404 -106.915 -22.865 -96.025 -224.707 123.892 9.6167 21.0482 -149.298 PRESSAVG: 1485800 1.5347 1.71648 7.74228 1.71645 -8.11699 -25.5658 7.74222 -25.5658 -24.3633 GPRESSAVG: 1485800 2.0181 -1.32529 10.8527 1.9356 -7.61051 -26.2779 7.12178 -26.7813 -24.8443 TIMING: 1485800 CPU: 4474.7, 0.00303306/step Wall: 4474.7, 0.00303306/step, 2.96077 hours remaining, 207.757812 MB of memory in use. ENERGY: 1485800 771.7443 2087.9934 1964.7540 115.2776 -206284.4636 17539.2824 0.0000 0.0000 34294.0775 -149511.3343 299.4987 -183805.4118 -149414.6094 298.0345 -233.6189 -197.4696 556387.7449 -10.3152 -10.1456 PRESSURE: 1486000 -65.1672 -1.09608 -108.548 -1.097 375.223 21.2593 -108.549 21.2603 299.77 GPRESSURE: 1486000 -3.82191 1.05461 -117.64 -20.8336 392.542 -40.8271 -80.4096 65.8617 306.862 PRESSAVG: 1486000 -18.2028 -6.92311 -30.0926 -6.9231 -11.8999 -18.4914 -30.0925 -18.4914 3.20015 GPRESSAVG: 1486000 -17.3187 -5.51966 -32.7757 -4.09428 -12.5556 -17.4332 -28.0629 -17.8343 2.90289 TIMING: 1486000 CPU: 4475.3, 0.00300808/step Wall: 4475.3, 0.00300808/step, 2.93622 hours remaining, 207.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1486000 726.1061 2119.7347 1930.4902 102.1547 -206639.2898 18197.3693 0.0000 0.0000 34032.7581 -149530.6767 297.2165 -183563.4348 -149438.5392 298.6837 203.2751 231.8607 557306.5027 -8.9675 -8.9905 PRESSURE: 1486200 44.2504 -40.5384 5.55612 -40.5401 394.508 -130.619 5.55561 -130.618 347.971 GPRESSURE: 1486200 36.3972 3.10452 39.6165 21.2793 456.038 -178.898 -91.6818 -48.3914 383.769 PRESSAVG: 1486200 -8.17022 -10.0535 2.28446 -10.0536 -46.5092 10.8442 2.28453 10.8443 58.2026 GPRESSAVG: 1486200 -8.80384 -11.4587 2.24144 -11.0819 -46.2248 12.3647 0.857973 9.87964 59.0392 TIMING: 1486200 CPU: 4475.9, 0.00298308/step Wall: 4475.9, 0.00298308/step, 2.91165 hours remaining, 207.757812 MB of memory in use. ENERGY: 1486200 769.9705 2103.5043 1933.9951 100.8527 -206794.8272 18237.2807 0.0000 0.0000 34148.8465 -149500.3774 298.2304 -183649.2239 -149405.7021 298.5983 262.2429 292.0682 557113.8618 1.1744 1.3369 PRESSURE: 1486400 -107.202 -154.802 -159.323 -154.802 180.667 86.1036 -159.323 86.1036 -96.7006 GPRESSURE: 1486400 -67.2394 -64.8253 -143.703 -192.371 188.578 44.4727 -122.845 122.718 -55.271 PRESSAVG: 1486400 -12.1066 6.47031 -26.1407 6.47036 11.5802 46.8588 -26.1405 46.8587 -24.4756 GPRESSAVG: 1486400 -12.6135 6.61853 -27.3787 5.78769 10.9625 44.4298 -25.716 49.5259 -22.6892 TIMING: 1486400 CPU: 4476.5, 0.00299222/step Wall: 4476.5, 0.00299222/step, 2.9204 hours remaining, 207.757812 MB of memory in use. ENERGY: 1486400 700.5455 2123.4010 1915.8720 114.1990 -206521.8510 17906.7561 0.0000 0.0000 34169.5208 -149591.5566 298.4109 -183761.0774 -149489.9577 297.6067 -7.7452 22.0226 557510.6110 -8.3340 -8.1134 PRESSURE: 1486600 -294.071 -96.885 36.4102 -96.884 -86.4301 -39.0514 36.4093 -39.0501 -79.4751 GPRESSURE: 1486600 -251.797 -114.962 64.6098 -49.7822 -64.7379 -117.508 44.9996 24.4676 -48.8377 PRESSAVG: 1486600 20.6336 -1.43306 -3.07645 -1.4331 44.39 4.73778 -3.07649 4.73763 -50.4257 GPRESSAVG: 1486600 20.8375 -2.43191 -0.18819 0.130955 45.2825 5.98221 -3.84185 3.85433 -51.6488 TIMING: 1486600 CPU: 4477.09, 0.00298262/step Wall: 4477.09, 0.00298262/step, 2.91087 hours remaining, 207.757812 MB of memory in use. ENERGY: 1486600 758.9442 2064.0754 1926.4065 107.8619 -206054.4734 17631.5834 0.0000 0.0000 33959.6335 -149605.9686 296.5779 -183565.6020 -149500.2359 298.3927 -153.3253 -121.7909 557424.4019 4.8659 4.8237 PRESSURE: 1486800 -182.051 19.1087 -64.9958 19.1095 -98.4465 25.6711 -64.9952 25.6713 -161.545 GPRESSURE: 1486800 -137.687 -17.7042 -119.622 -40.8511 -66.258 66.3675 -0.250725 30.5447 -148.134 PRESSAVG: 1486800 22.2086 -41.6445 -41.8773 -41.6444 54.9978 -57.0252 -41.8773 -57.0251 -34.3875 GPRESSAVG: 1486800 21.8627 -42.6837 -41.8418 -41.8849 54.2695 -56.9484 -42.5406 -57.8249 -32.8625 TIMING: 1486800 CPU: 4477.7, 0.00300926/step Wall: 4477.7, 0.00300926/step, 2.93671 hours remaining, 207.757812 MB of memory in use. ENERGY: 1486800 765.9721 2098.8871 1955.1745 102.1232 -206555.6096 17870.2934 0.0000 0.0000 34280.5072 -149482.6522 299.3802 -183763.1594 -149381.3432 298.3394 -147.3474 -117.3596 559300.7051 14.2729 14.4232 PRESSURE: 1487000 -270.257 134.885 97.0094 134.885 76.1672 -73.1403 97.0093 -73.1403 62.6564 GPRESSURE: 1487000 -221.425 70.1599 -62.2243 58.0074 133.019 25.9926 172.294 -73.499 63.5711 PRESSAVG: 1487000 -58.427 54.1817 36.2641 54.1816 44.945 -29.6239 36.2641 -29.6239 19.4169 GPRESSAVG: 1487000 -56.7315 56.798 33.4896 52.6172 44.3448 -28.1474 38.2535 -30.9224 17.4648 TIMING: 1487000 CPU: 4478.29, 0.00298155/step Wall: 4478.29, 0.00298155/step, 2.9095 hours remaining, 207.757812 MB of memory in use. ENERGY: 1487000 769.8353 2088.5375 1930.3178 114.5571 -206662.1432 18130.7037 0.0000 0.0000 34120.3404 -149507.8514 297.9814 -183628.1918 -149413.3490 298.7307 -43.8112 -8.2783 559579.4340 1.9783 1.6927 PRESSURE: 1487200 -64.0967 -87.8618 -85.7774 -87.8631 -328.051 -32.2052 -85.7775 -32.2043 -104.594 GPRESSURE: 1487200 -65.3639 -52.9088 -36.0045 -128.663 -303.765 5.00051 -62.3632 -48.5546 -18.5893 PRESSAVG: 1487200 8.32657 3.12566 -27.6964 3.12562 -29.9117 20.9031 -27.6964 20.9033 -28.4536 GPRESSAVG: 1487200 7.19071 2.50628 -26.8976 5.36199 -27.6352 20.939 -28.2038 22.3237 -29.0914 TIMING: 1487200 CPU: 4478.89, 0.00296695/step Wall: 4478.89, 0.00296695/step, 2.89509 hours remaining, 207.757812 MB of memory in use. ENERGY: 1487200 758.1893 2119.7258 1926.2363 118.9830 -206553.7392 17789.8116 0.0000 0.0000 34345.5615 -149495.2317 299.9483 -183840.7932 -149397.4301 298.7052 -165.5804 -129.2393 557649.2125 -16.6796 -16.5120 PRESSURE: 1487400 -328.666 -81.0075 221.31 -81.0076 -198.135 53.8256 221.312 53.8245 284.464 GPRESSURE: 1487400 -252.091 -57.9603 164.518 -34.5496 -191.82 46.342 219.84 62.5309 294.05 PRESSAVG: 1487400 34.4212 11.5541 17.4544 11.5542 -44.7848 -22.6353 17.4544 -22.6352 3.08846 GPRESSAVG: 1487400 34.9477 11.0512 16.8253 7.80294 -46.8473 -21.6898 18.7414 -24.4994 4.47009 TIMING: 1487400 CPU: 4479.48, 0.00296816/step Wall: 4479.48, 0.00296816/step, 2.8961 hours remaining, 207.757812 MB of memory in use. ENERGY: 1487400 721.9716 2081.6445 1959.2822 133.6948 -206446.2631 17761.5588 0.0000 0.0000 34279.8970 -149508.2142 299.3749 -183788.1111 -149414.1453 298.6692 -80.7791 -49.9537 557532.8801 -2.4251 -2.4765 PRESSURE: 1487600 -109.826 -160.721 -33.8268 -160.721 -6.75096 6.52923 -33.8272 6.53233 27.7063 GPRESSURE: 1487600 -125.773 -118.231 -102.985 -132.585 94.8082 -2.33055 13.4586 -13.1643 47.8915 PRESSAVG: 1487600 12.1504 -23.432 40.4819 -23.432 -21.1639 -16.3915 40.4817 -16.3915 27.6845 GPRESSAVG: 1487600 11.1061 -22.9279 42.4863 -22.0823 -19.8802 -18.3296 39.4717 -18.3288 27.4582 TIMING: 1487600 CPU: 4480.08, 0.00300688/step Wall: 4480.08, 0.00300688/step, 2.93371 hours remaining, 207.757812 MB of memory in use. ENERGY: 1487600 762.2065 2088.5426 1935.6079 112.6853 -206684.9205 18070.7863 0.0000 0.0000 34046.1657 -149668.9262 297.3336 -183715.0919 -149573.2711 298.7069 -29.6236 5.6422 558018.6859 6.2237 6.2280 PRESSURE: 1487800 0.92703 -47.8031 -33.1298 -47.8037 -141.005 77.9416 -33.1295 77.9418 -208.265 GPRESSURE: 1487800 46.8577 -126.86 -9.28173 -16.2291 -162.1 80.3658 -82.1354 31.864 -131.608 PRESSAVG: 1487800 16.5543 -26.2698 23.6361 -26.2699 -2.75939 -59.3475 23.6361 -59.3475 -5.57522 GPRESSAVG: 1487800 17.2443 -25.8855 22.9565 -26.4799 -2.85553 -57.4075 21.868 -57.7802 -6.33423 TIMING: 1487800 CPU: 4480.69, 0.00302272/step Wall: 4480.69, 0.00302272/step, 2.949 hours remaining, 207.757812 MB of memory in use. ENERGY: 1487800 726.4960 2109.0379 1923.5770 119.4206 -206279.1169 17729.7675 0.0000 0.0000 34092.3912 -149578.4265 297.7373 -183670.8177 -149469.8665 298.1298 -116.1143 -82.2835 558596.5365 2.7399 2.6849 PRESSURE: 1488000 -209.203 1.51501 121.373 1.51554 -9.06958 -69.3927 121.372 -69.3934 -74.1906 GPRESSURE: 1488000 -194.196 -92.0853 122.826 -14.4465 55.4162 -53.6752 73.7935 -45.5105 -52.1302 PRESSAVG: 1488000 -23.0472 20.5448 37.2777 20.5448 12.737 -5.88236 37.2778 -5.88237 7.61358 GPRESSAVG: 1488000 -22.6892 20.2592 39.3808 19.9991 12.5863 -5.70773 37.4248 -4.16749 7.29633 TIMING: 1488000 CPU: 4481.29, 0.00302553/step Wall: 4481.29, 0.00302553/step, 2.95158 hours remaining, 207.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1488000 733.6690 2121.9283 1936.0730 119.1718 -206088.0090 17668.5097 0.0000 0.0000 34189.4076 -149319.2496 298.5846 -183508.6572 -149223.3307 299.1876 -97.4876 -63.6366 557602.8679 -0.8989 -0.9355 PRESSURE: 1488200 -5.64145 10.9964 27.2419 10.9957 -86.3361 142.728 27.2417 142.727 -137.785 GPRESSURE: 1488200 34.4435 43.2156 -7.1155 -42.1039 -79.1901 5.85907 -12.634 182.313 -85.9745 PRESSAVG: 1488200 21.9925 -54.0481 22.8079 -54.0482 -55.358 -32.7769 22.8078 -32.7769 21.9309 GPRESSAVG: 1488200 20.948 -54.6487 23.1459 -52.5462 -55.1973 -34.5546 24.1709 -32.7419 22.7622 TIMING: 1488200 CPU: 4481.9, 0.00304271/step Wall: 4481.9, 0.00304271/step, 2.96817 hours remaining, 207.757812 MB of memory in use. ENERGY: 1488200 776.4467 2137.9085 1912.9669 105.8136 -206726.4237 17940.5436 0.0000 0.0000 34355.9540 -149496.7904 300.0391 -183852.7444 -149402.5150 299.0848 -76.5875 -43.5737 557220.3925 -3.8115 -3.8290 LDB: ============= START OF LOAD BALANCING ============== 4485.42 LDB: ============== END OF LOAD BALANCING =============== 4485.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4485.42 LDB: ============= START OF LOAD BALANCING ============== 4485.73 LDB: Largest compute 4800 load 0.033670 is 28.6% of average load 0.117877 LDB: Average compute 0.001733 is 1.5% of average load 0.117877 LDB: TIME 4485.73 LOAD: AVG 0.117877 MAX 0.21894 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.734 MB LDB: TIME 4485.73 LOAD: AVG 0.117877 MAX 0.21894 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.938 MB LDB: TIME 4485.73 LOAD: AVG 0.117877 MAX 0.21894 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.938 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4485.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4485.73 PRESSURE: 1488400 17.2207 8.32994 -83.183 8.32971 160.566 -16.1133 -83.1825 -16.1143 41.324 GPRESSURE: 1488400 23.3301 45.218 -101.472 -4.42315 174.549 36.0639 -143.692 40.9439 127.871 PRESSAVG: 1488400 34.7414 18.9482 19.2706 18.9481 -8.40776 1.82288 19.2706 1.82279 -33.2676 GPRESSAVG: 1488400 35.2976 20.9782 19.5429 18.9443 -7.97134 1.87572 15.0771 2.01764 -33.713 TIMING: 1488400 CPU: 4482.52, 0.00309648/step Wall: 4482.52, 0.00309648/step, 3.02044 hours remaining, 206.992188 MB of memory in use. ENERGY: 1488400 790.6766 2145.2733 1931.8038 102.3386 -206787.8550 17980.3224 0.0000 0.0000 34379.1754 -149458.2648 300.2419 -183837.4402 -149362.9164 298.7017 73.0368 108.5833 555118.4356 -2.3113 -2.1289 PRESSURE: 1488600 50.2336 85.9217 192.676 85.9222 257.098 161.182 192.675 161.182 68.6551 GPRESSURE: 1488600 125.561 63.5098 224.445 65.4384 281.429 259.379 171.243 131.461 76.3067 PRESSAVG: 1488600 -24.6337 -8.1357 16.6187 -8.13574 -1.41256 8.30241 16.6186 8.30249 46.8747 GPRESSAVG: 1488600 -25.2068 -8.93904 14.7299 -7.9928 -2.27119 10.4391 19.517 8.04625 47.8091 TIMING: 1488600 CPU: 4483.13, 0.00305/step Wall: 4483.13, 0.00305/step, 2.97494 hours remaining, 206.992188 MB of memory in use. ENERGY: 1488600 726.1630 2101.6312 1919.3731 114.4606 -206813.7544 18146.0001 0.0000 0.0000 34295.4952 -149510.6313 299.5111 -183806.1265 -149414.3339 299.1081 125.3290 161.0991 556411.6946 6.9428 6.7771 PRESSURE: 1488800 -85.0945 -47.1809 -108.781 -47.1815 -261.476 -58.543 -108.782 -58.5434 -18.1629 GPRESSURE: 1488800 -13.8438 -76.5297 -72.3179 15.8378 -229.974 -2.14033 -41.029 -103.871 -17.627 PRESSAVG: 1488800 -64.9098 17.3964 44.9975 17.3964 14.979 -18.7923 44.9975 -18.7924 63.0849 GPRESSAVG: 1488800 -63.5507 15.6562 44.7616 18.8852 14.6871 -19.6273 45.4896 -19.4142 62.4032 TIMING: 1488800 CPU: 4483.74, 0.00306013/step Wall: 4483.74, 0.00306013/step, 2.98464 hours remaining, 206.992188 MB of memory in use. ENERGY: 1488800 727.9015 2125.8327 1909.6234 110.8724 -205985.4782 17577.8770 0.0000 0.0000 34164.6553 -149368.7160 298.3684 -183533.3713 -149273.5003 298.8698 -121.5779 -87.1481 557387.9961 4.3847 4.5132 PRESSURE: 1489000 -261.513 162.52 -1.44168 162.52 -124.498 71.6708 -1.4411 71.6728 9.00526 GPRESSURE: 1489000 -202.023 166.45 71.3471 69.8527 -139.195 121.304 -14.7968 45.6126 59.3769 PRESSAVG: 1489000 69.8845 -1.03462 -25.0205 -1.03461 -13.3196 -8.79991 -25.0206 -8.79994 -12.9055 GPRESSAVG: 1489000 69.1637 2.10173 -25.7891 -3.35025 -13.6842 -8.04281 -24.0162 -9.00233 -12.6623 TIMING: 1489000 CPU: 4484.34, 0.00301924/step Wall: 4484.34, 0.00301924/step, 2.9446 hours remaining, 206.992188 MB of memory in use. ENERGY: 1489000 750.8664 2092.3166 1937.6730 106.5746 -206308.2837 17697.5187 0.0000 0.0000 34366.2029 -149357.1316 300.1286 -183723.3344 -149261.9324 298.8613 -125.6685 -93.9469 558238.2870 14.5531 14.2724 PRESSURE: 1489200 72.4301 -144.386 96.5778 -144.386 114.809 88.1276 96.5782 88.1257 64.659 GPRESSURE: 1489200 93.5933 -137.957 135.81 -141.32 133.754 45.3503 78.5546 71.6696 107.279 PRESSAVG: 1489200 62.2275 -2.70768 32.028 -2.70769 -20.178 -28.8715 32.028 -28.8715 -56.8096 GPRESSAVG: 1489200 62.25 -6.11823 32.3212 -1.30435 -19.8579 -29.4942 31.6913 -30.3591 -56.8484 TIMING: 1489200 CPU: 4484.94, 0.00300154/step Wall: 4484.94, 0.00300154/step, 2.92717 hours remaining, 206.992188 MB of memory in use. ENERGY: 1489200 777.5128 2099.4632 1913.8238 100.3337 -206657.7078 18121.0571 0.0000 0.0000 34206.3466 -149439.1707 298.7325 -183645.5173 -149340.3413 298.7329 83.9661 111.5421 557411.2113 -4.9200 -4.8188 PRESSURE: 1489400 104.882 30.0339 -75.4368 30.0333 62.5099 -87.1744 -75.438 -87.1727 190.893 GPRESSURE: 1489400 111.041 -26.3636 -71.5403 97.8246 176.396 -62.3094 51.933 -230 166.317 PRESSAVG: 1489400 -7.98989 -34.3936 4.52334 -34.3935 18.9499 -71.3935 4.52331 -71.3936 22.07 GPRESSAVG: 1489400 -7.88374 -33.6356 4.19495 -33.4614 18.6806 -73.2174 3.65299 -69.4182 22.2077 TIMING: 1489400 CPU: 4485.55, 0.00300679/step Wall: 4485.55, 0.00300679/step, 2.93212 hours remaining, 206.992188 MB of memory in use. ENERGY: 1489400 740.0321 2064.5479 1925.8293 106.0375 -206594.6928 18117.0187 0.0000 0.0000 34213.1396 -149428.0877 298.7919 -183641.2273 -149329.2047 298.5878 119.4285 151.2514 556688.2346 11.0100 11.0015 PRESSURE: 1489600 83.0516 -109.059 81.3934 -109.059 15.3852 37.784 81.3944 37.7835 -208.072 GPRESSURE: 1489600 105.938 -95.5445 77.1885 -107.115 31.7982 1.52293 36.37 38.1258 -156.825 PRESSAVG: 1489600 59.1534 10.1677 -54.6177 10.1677 -24.162 -17.227 -54.6176 -17.2269 -46.1315 GPRESSAVG: 1489600 60.1859 10.1244 -54.2069 7.9305 -23.4717 -17.0786 -53.6706 -15.3555 -48.0984 TIMING: 1489600 CPU: 4486.15, 0.00301654/step Wall: 4486.15, 0.00301654/step, 2.94146 hours remaining, 206.992188 MB of memory in use. ENERGY: 1489600 785.9016 2050.5012 1921.1099 118.1954 -206148.4683 17604.7156 0.0000 0.0000 34337.1596 -149330.8851 299.8750 -183668.0446 -149235.4290 298.9159 -36.5450 -6.3628 556590.6772 -3.7133 -3.7948 PRESSURE: 1489800 -36.1316 53.076 6.90869 53.0753 127.922 108.099 6.90922 108.097 116.022 GPRESSURE: 1489800 48.4466 67.8877 -28.1862 -62.4116 118.018 85.4033 5.11382 77.5854 146.932 PRESSAVG: 1489800 39.6158 16.2123 24.3487 16.2123 18.1987 48.7122 24.3487 48.7121 -55.5932 GPRESSAVG: 1489800 39.3445 16.6863 23.6526 16.4438 16.4207 49.8975 24.7698 46.7044 -53.408 TIMING: 1489800 CPU: 4486.75, 0.00302189/step Wall: 4486.75, 0.00302189/step, 2.94651 hours remaining, 206.992188 MB of memory in use. ENERGY: 1489800 720.5054 2079.9046 1955.9860 131.0607 -206232.1255 17746.7917 0.0000 0.0000 34309.9599 -149287.9172 299.6374 -183597.8771 -149196.9969 298.8223 69.2710 104.4657 556652.0960 0.7405 0.7857 PRESSURE: 1490000 -49.2171 -31.4076 -32.7931 -31.4079 164.079 -99.2493 -32.7919 -99.2475 -37.6777 GPRESSURE: 1490000 -66.8023 -0.903801 -15.0831 -42.6408 230.894 -66.3194 -42.151 -96.1463 1.87368 PRESSAVG: 1490000 -14.3259 -40.2332 46.0939 -40.2332 56.2691 -19.8034 46.094 -19.8035 -20.5402 GPRESSAVG: 1490000 -14.7755 -39.0092 45.832 -40.1519 57.3626 -19.5363 44.9502 -21.2317 -22.1107 TIMING: 1490000 CPU: 4487.36, 0.00303067/step Wall: 4487.36, 0.00303067/step, 2.9549 hours remaining, 206.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1490000 748.7182 2137.4703 1943.3662 116.0598 -206426.0045 17968.6455 0.0000 0.0000 34141.0532 -149370.6912 298.1623 -183511.7444 -149274.2520 299.2536 25.7281 55.3217 558040.4150 7.1344 6.8255 PRESSURE: 1490200 -105.194 -178.072 -130.475 -178.072 46.135 41.9216 -130.476 41.9213 -55.8836 GPRESSURE: 1490200 -21.2206 -117.654 -120.763 -209.852 63.047 102.426 -7.9394 -32.5839 -49.0161 PRESSAVG: 1490200 25.7708 -30.0674 19.223 -30.0674 -46.2116 -1.20601 19.223 -1.20607 19.5992 GPRESSAVG: 1490200 26.0529 -29.5745 20.24 -29.5671 -47.3811 -0.668025 19.2495 -2.20597 20.5064 TIMING: 1490200 CPU: 4487.97, 0.00303047/step Wall: 4487.97, 0.00303047/step, 2.95454 hours remaining, 206.992188 MB of memory in use. ENERGY: 1490200 776.5341 2128.9170 1936.6089 113.9259 -206443.9184 17850.3968 0.0000 0.0000 34202.1810 -149435.3546 298.6962 -183637.5356 -149342.1928 298.6044 -38.3141 -2.3966 557876.9268 -0.2805 -0.2739 PRESSURE: 1490400 -246.616 131.228 -105.287 131.227 -185.318 -82.1599 -105.287 -82.1611 -362.73 GPRESSURE: 1490400 -267.266 107.249 -49.8715 103.302 -179.345 -130.698 -122.999 8.61396 -253.561 PRESSAVG: 1490400 -51.1889 4.49626 43.7829 4.49629 -6.97502 19.3409 43.7829 19.3408 23.7357 GPRESSAVG: 1490400 -52.574 4.27087 43.453 5.34107 -5.4764 17.7585 42.9762 22.7643 22.9576 TIMING: 1490400 CPU: 4488.57, 0.00302697/step Wall: 4488.57, 0.00302697/step, 2.95096 hours remaining, 206.992188 MB of memory in use. ENERGY: 1490400 710.7668 2129.9915 1949.5061 104.9900 -205868.6608 17314.3446 0.0000 0.0000 34199.4520 -149459.6097 298.6723 -183659.0617 -149367.8239 298.5375 -264.8878 -233.3905 559316.4670 -11.4761 -11.6976 PRESSURE: 1490600 -111.938 33.063 -45.641 33.0627 88.0366 102.063 -45.6417 102.063 75.2173 GPRESSURE: 1490600 -36.8104 61.2 -81.2977 38.7641 4.18251 154.069 7.3342 90.4146 171.909 PRESSAVG: 1490600 22.2333 79.9143 -28.9976 79.9142 -48.4013 33.8091 -28.9975 33.8091 13.6422 GPRESSAVG: 1490600 22.3318 77.848 -28.7322 80.5859 -49.4365 31.589 -28.6357 33.2974 14.7747 TIMING: 1490600 CPU: 4489.18, 0.00302041/step Wall: 4489.18, 0.00302041/step, 2.94439 hours remaining, 206.992188 MB of memory in use. ENERGY: 1490600 761.4862 2079.9993 1931.4384 109.8950 -206474.9741 17947.1898 0.0000 0.0000 34238.7322 -149406.2332 299.0154 -183644.9654 -149308.4575 298.7755 17.1054 46.4270 558126.6297 -4.1753 -4.1100 PRESSURE: 1490800 -245.718 -6.8157 21.1365 -6.81471 -185.927 119.93 21.1368 119.931 112.058 GPRESSURE: 1490800 -217.272 -1.98525 20.0569 -32.0282 -143.747 167.075 27.7546 91.6906 130.155 PRESSAVG: 1490800 4.49235 70.6002 1.95264 70.6002 14.4479 -10.6006 1.95263 -10.6006 2.65004 GPRESSAVG: 1490800 5.04787 69.8137 1.37557 72.6596 14.6475 -8.53126 1.98772 -11.4959 1.69989 TIMING: 1490800 CPU: 4489.78, 0.00304586/step Wall: 4489.78, 0.00304586/step, 2.96903 hours remaining, 206.992188 MB of memory in use. ENERGY: 1490800 744.9464 2109.4661 1935.9353 123.4670 -206317.5032 17731.4370 0.0000 0.0000 34155.3976 -149516.8538 298.2876 -183672.2514 -149421.6669 298.7731 -106.5287 -76.9548 558176.4767 7.1967 7.1317 PRESSURE: 1491000 -244.452 9.35304 -36.1848 9.35406 -210.06 -200.33 -36.185 -200.33 -82.1576 GPRESSURE: 1491000 -215.448 29.2481 -147.571 51.6449 -232.998 -194.101 -13.6843 -230.737 -0.71032 PRESSAVG: 1491000 -37.7306 22.9841 47.5253 22.9839 -41.0102 -6.26209 47.5253 -6.2622 70.2575 GPRESSAVG: 1491000 -37.9017 23.8632 47.1791 20.3919 -40.5885 -5.30202 47.6675 -6.17022 69.6877 TIMING: 1491000 CPU: 4490.39, 0.00302678/step Wall: 4490.39, 0.00302678/step, 2.95027 hours remaining, 206.992188 MB of memory in use. ENERGY: 1491000 756.6766 2088.5542 1940.3866 106.5939 -206393.7544 17734.7404 0.0000 0.0000 34097.9697 -149668.8330 297.7861 -183766.8027 -149572.9720 298.6616 -178.8899 -149.7189 559320.9207 -2.8278 -2.9342 PRESSURE: 1491200 -290.368 9.06961 70.1848 9.06787 -360.007 -149.848 70.1864 -149.85 47.6757 GPRESSURE: 1491200 -244.17 93.3119 -15.9267 51.8517 -334.842 -112.627 171.157 -103.115 73.121 PRESSAVG: 1491200 39.2043 61.5095 2.62402 61.5095 -42.2011 -53.7347 2.62403 -53.7347 33.7994 GPRESSAVG: 1491200 38.5972 62.7373 3.96374 61.8495 -42.6133 -54.9713 3.80114 -53.7018 34.2034 TIMING: 1491200 CPU: 4491, 0.00304143/step Wall: 4491, 0.00304143/step, 2.96438 hours remaining, 206.992188 MB of memory in use. ENERGY: 1491200 722.4774 2094.2572 1994.7067 116.9942 -206218.6123 17576.4817 0.0000 0.0000 34224.9486 -149488.7465 298.8950 -183713.6951 -149395.2964 298.1809 -200.8997 -168.6305 558526.4476 10.2676 10.0624 PRESSURE: 1491400 -27.15 -103.674 -92.3556 -103.674 111.726 189.838 -92.3565 189.838 59.3534 GPRESSURE: 1491400 -7.77519 -79.2812 -135.832 -145.506 193.259 93.4496 -30.3591 289.351 49.9025 PRESSAVG: 1491400 12.1959 18.6161 0.961921 18.6161 -23.5871 9.37946 0.962 9.37954 49.4426 GPRESSAVG: 1491400 12.4115 18.2332 0.319357 18.0275 -23.03 10.4244 0.0430936 10.3646 48.7117 TIMING: 1491400 CPU: 4491.61, 0.00304668/step Wall: 4491.61, 0.00304668/step, 2.96932 hours remaining, 206.992188 MB of memory in use. ENERGY: 1491400 707.0951 2113.5311 1917.7518 115.5572 -206545.4538 17932.3557 0.0000 0.0000 34351.6331 -149407.5299 300.0014 -183759.1629 -149312.2091 298.6609 47.9764 78.4621 558258.1820 12.6838 12.6977 PRESSURE: 1491600 -113.15 -72.577 127.929 -72.5769 -78.1567 -27.2668 127.929 -27.2651 153.719 GPRESSURE: 1491600 -98.7827 -47.8509 42.453 -26.4505 -41.269 -25.4115 165.09 2.40192 194.033 PRESSAVG: 1491600 -84.0436 -12.3999 32.9053 -12.3999 13.6498 26.3065 32.9052 26.3065 70.0169 GPRESSAVG: 1491600 -84.3235 -10.1587 34.1211 -13.9823 13.5643 27.3255 31.3488 24.5459 70.3333 TIMING: 1491600 CPU: 4492.21, 0.00303228/step Wall: 4492.21, 0.00303228/step, 2.95513 hours remaining, 206.992188 MB of memory in use. ENERGY: 1491600 739.8273 2091.5914 1962.3341 120.7616 -206173.6988 17752.8130 0.0000 0.0000 34176.4007 -149329.9706 298.4710 -183506.3714 -149235.6834 299.1218 -12.5291 17.9938 556682.6295 -0.1256 -0.1419 PRESSURE: 1491800 32.478 132.976 44.698 132.976 54.153 39.0124 44.6991 39.0118 -10.7247 GPRESSURE: 1491800 54.9405 101.776 10.0281 83.212 100.438 -0.835359 84.9193 59.173 23.4165 PRESSAVG: 1491800 -16.3721 -36.5155 -20.5358 -36.5155 -16.4932 47.5538 -20.5358 47.5539 33.3401 GPRESSAVG: 1491800 -15.9976 -38.5609 -22.0673 -36.6128 -16.3512 44.7355 -19.8121 49.4001 33.2389 TIMING: 1491800 CPU: 4492.83, 0.0030729/step Wall: 4492.83, 0.0030729/step, 2.99454 hours remaining, 206.992188 MB of memory in use. ENERGY: 1491800 723.6226 2081.9260 1950.5842 126.0338 -206407.7892 17899.5692 0.0000 0.0000 34211.8925 -149414.1609 298.7810 -183626.0534 -149321.7437 299.5335 25.3021 59.5985 557522.6053 0.1583 0.2967 PRESSURE: 1492000 -119.202 -140.024 -92.5359 -140.024 -96.8334 57.7248 -92.5357 57.7239 -32.5105 GPRESSURE: 1492000 -104.275 -58.7667 -232.967 -135.993 -100.319 72.9795 -74.0846 78.218 50.6663 PRESSAVG: 1492000 -43.3474 -24.0415 -46.0292 -24.0414 12.9169 31.533 -46.0293 31.5331 18.3486 GPRESSAVG: 1492000 -43.6753 -25.2096 -44.6825 -23.7551 13.2009 31.5022 -46.6485 29.7695 18.8363 TIMING: 1492000 CPU: 4493.44, 0.00306567/step Wall: 4493.44, 0.00306567/step, 2.98732 hours remaining, 206.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1492000 717.6725 2055.3395 1951.0151 117.6561 -206223.9114 17733.6070 0.0000 0.0000 34320.7380 -149327.8832 299.7315 -183648.6213 -149230.2846 299.3217 -82.8485 -51.3094 559326.6407 -4.0273 -3.8794 PRESSURE: 1492200 89.9094 66.0952 -0.791646 66.0953 -151.03 16.7766 -0.791769 16.7771 64.026 GPRESSURE: 1492200 100.801 52.6758 -43.2215 81.6839 -148.272 59.2455 68.6015 -42.6927 142.603 PRESSAVG: 1492200 15.1119 -17.3562 -0.979425 -17.3562 -45.3194 14.0168 -0.979464 14.0168 47.1997 GPRESSAVG: 1492200 15.4113 -18.8516 -0.41252 -15.1438 -45.9791 13.4195 -0.256814 14.8063 47.4157 TIMING: 1492200 CPU: 4494.05, 0.00306106/step Wall: 4494.05, 0.00306106/step, 2.98266 hours remaining, 206.992188 MB of memory in use. ENERGY: 1492200 727.2903 2037.5555 1921.4824 112.6832 -206701.6696 18104.4781 0.0000 0.0000 34289.0686 -149509.1114 299.4550 -183798.1800 -149413.0478 298.7660 0.9684 31.7105 558833.7964 5.6641 5.6160 LDB: ============= START OF LOAD BALANCING ============== 4497.58 LDB: ============== END OF LOAD BALANCING =============== 4497.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4497.58 LDB: ============= START OF LOAD BALANCING ============== 4497.89 LDB: Largest compute 4800 load 0.032350 is 27.5% of average load 0.117831 LDB: Average compute 0.001737 is 1.5% of average load 0.117831 LDB: TIME 4497.89 LOAD: AVG 0.117831 MAX 0.219405 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.074 MB LDB: TIME 4497.89 LOAD: AVG 0.117831 MAX 0.219405 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.074 MB LDB: TIME 4497.89 LOAD: AVG 0.117831 MAX 0.219405 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.074 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4497.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4497.9 PRESSURE: 1492400 -102.09 -63.7364 113.212 -63.7363 100.59 0.886102 113.21 0.885463 -109.834 GPRESSURE: 1492400 -67.5966 -73.4664 167.987 -179.092 130.795 -46.2799 73.2381 60.5116 -88.027 PRESSAVG: 1492400 -48.0123 -12.5161 -30.4027 -12.516 -0.00643159 -6.32887 -30.4026 -6.3288 45.8764 GPRESSAVG: 1492400 -47.7267 -9.16903 -32.1863 -15.4384 0.0235871 -5.95839 -30.4122 -5.03601 45.0779 TIMING: 1492400 CPU: 4494.68, 0.00312772/step Wall: 4494.68, 0.00312772/step, 3.04744 hours remaining, 207.503906 MB of memory in use. ENERGY: 1492400 726.1326 2075.5417 1934.5764 135.7048 -206171.7402 17819.6603 0.0000 0.0000 34177.6270 -149302.4974 298.4817 -183480.1244 -149210.6634 299.1371 -37.1115 -8.2763 560040.1726 -0.7141 -0.8751 PRESSURE: 1492600 288.791 -48.816 38.8651 -48.8162 91.3951 -51.3476 38.8639 -51.3472 -41.4778 GPRESSURE: 1492600 321.541 -15.4374 -9.63933 -124.819 181.366 -84.5867 -17.5691 -46.1411 -79.893 PRESSAVG: 1492600 -0.0964564 -44.3909 -39.678 -44.391 -0.2236 -18.3485 -39.678 -18.3484 -26.789 GPRESSAVG: 1492600 -1.03421 -43.4683 -38.4204 -44.0246 0.266837 -17.9745 -41.3332 -19.7599 -26.6131 TIMING: 1492600 CPU: 4495.29, 0.00304183/step Wall: 4495.29, 0.00304183/step, 2.96359 hours remaining, 207.503906 MB of memory in use. ENERGY: 1492600 704.8055 2119.8089 1915.4628 111.1459 -206177.2346 18019.1367 0.0000 0.0000 34224.6318 -149082.2430 298.8922 -183306.8748 -148983.9273 298.8193 112.9029 141.0048 560576.1688 -9.0364 -9.1268 PRESSURE: 1492800 -84.0761 59.7804 130.971 59.7811 -172.612 -123.927 130.972 -123.928 -42.5968 GPRESSURE: 1492800 -79.7322 155.425 113.925 9.55466 -120.137 -191.736 102.009 -13.6185 -23.6729 PRESSAVG: 1492800 49.3019 -44.1073 -20.0809 -44.1074 -32.4977 16.1692 -20.0809 16.1692 -14.9782 GPRESSAVG: 1492800 49.1564 -44.9331 -22.4335 -43.7652 -32.1594 17.8485 -18.597 17.8357 -15.6018 TIMING: 1492800 CPU: 4495.89, 0.00299778/step Wall: 4495.89, 0.00299778/step, 2.9205 hours remaining, 207.503906 MB of memory in use. ENERGY: 1492800 761.7501 2082.9917 1954.5071 114.0362 -205950.5355 17772.0354 0.0000 0.0000 34198.1223 -149067.0926 298.6607 -183265.2149 -148964.1346 299.1694 -99.7618 -74.5139 560018.1337 0.6087 0.4651 PRESSURE: 1493000 20.3858 117.8 -15.1328 117.801 -19.1951 -18.1553 -15.1337 -18.1559 185.332 GPRESSURE: 1493000 7.15378 178.851 18.6407 57.0324 67.3153 -76.3238 26.8329 70.0763 209.268 PRESSAVG: 1493000 25.7865 7.76845 23.1328 7.76852 -50.8533 40.039 23.1327 40.0391 94.4946 GPRESSAVG: 1493000 25.5955 5.61081 24.6387 8.36547 -51.7547 38.372 20.5897 39.0978 95.6663 TIMING: 1493000 CPU: 4496.49, 0.00301679/step Wall: 4496.49, 0.00301679/step, 2.93885 hours remaining, 207.503906 MB of memory in use. ENERGY: 1493000 745.7732 2072.1021 1936.6832 119.6952 -206336.1384 17952.0928 0.0000 0.0000 34359.8389 -149149.9530 300.0730 -183509.7919 -149047.5602 299.9567 62.1743 94.5791 557558.4708 23.1426 23.1690 PRESSURE: 1493200 56.3855 111.343 -59.4057 111.342 -15.3566 -41.7177 -59.406 -41.717 66.6006 GPRESSURE: 1493200 50.1887 112.546 -64.5753 73.4967 51.3912 -104.529 -73.5764 -24.7846 96.5446 PRESSAVG: 1493200 -29.8691 40.1884 -26.5187 40.1883 -49.4983 -8.66327 -26.5188 -8.6631 64.7796 GPRESSAVG: 1493200 -29.0643 41.3501 -24.6703 38.2965 -49.3952 -10.3301 -25.8707 -8.27738 64.4651 TIMING: 1493200 CPU: 4497.1, 0.00302636/step Wall: 4497.1, 0.00302636/step, 2.94801 hours remaining, 207.503906 MB of memory in use. ENERGY: 1493200 749.5145 2119.0099 1917.0155 114.1394 -206763.4291 18018.8830 0.0000 0.0000 34646.9043 -149197.9625 302.5800 -183844.8668 -149101.3017 299.2571 35.8765 66.0415 556216.6115 -4.8626 -4.6648 PRESSURE: 1493400 9.59593 -54.0673 -91.8195 -54.0679 -109.253 -4.44729 -91.8201 -4.45042 93.2963 GPRESSURE: 1493400 66.092 -93.2086 -76.5944 7.86282 -68.703 -89.6089 -59.9901 10.5601 82.273 PRESSAVG: 1493400 25.6864 -22.1626 -40.7659 -22.1627 13.6461 6.2085 -40.7659 6.20848 -27.1278 GPRESSAVG: 1493400 25.5632 -21.5456 -43.3675 -22.107 14.8323 6.67945 -38.4184 6.06957 -28.2366 TIMING: 1493400 CPU: 4497.7, 0.0030304/step Wall: 4497.7, 0.0030304/step, 2.95178 hours remaining, 207.503906 MB of memory in use. ENERGY: 1493400 734.9516 2157.5864 1910.4019 121.9701 -206120.7937 17756.0457 0.0000 0.0000 34293.6432 -149146.1948 299.4949 -183439.8380 -149053.1815 299.6390 -2.1201 26.5540 556696.8148 4.0682 4.0530 PRESSURE: 1493600 19.1273 10.3324 104.008 10.3328 -258.861 -94.2139 104.009 -94.215 -186.087 GPRESSURE: 1493600 -40.9309 59.8308 58.8217 1.49663 -196.952 23.5254 231.854 -114.439 -94.9755 PRESSAVG: 1493600 -27.6216 -29.8842 25.3427 -29.8842 42.9958 -11.9241 25.3427 -11.924 22.9478 GPRESSAVG: 1493600 -28.1667 -31.6032 26.1911 -28.5052 43.1372 -10.2113 25.0454 -12.5739 23.7277 TIMING: 1493600 CPU: 4498.31, 0.00302702/step Wall: 4498.31, 0.00302702/step, 2.94832 hours remaining, 207.503906 MB of memory in use. ENERGY: 1493600 763.8215 2040.5647 1920.0090 113.9782 -206290.6991 17809.0041 0.0000 0.0000 34410.1660 -149233.1558 300.5125 -183643.3218 -149137.1048 299.7333 -141.9404 -110.9528 557611.0777 12.7740 12.8994 PRESSURE: 1493800 115.37 28.2337 143.462 28.2338 169.862 115.876 143.462 115.875 -216.073 GPRESSURE: 1493800 122.229 -63.3095 -1.52664 48.9358 191.984 106.027 152.368 100.182 -150.333 PRESSAVG: 1493800 -14.5059 -34.8779 3.52866 -34.878 -0.13676 -9.00845 3.5288 -9.00856 30.1279 GPRESSAVG: 1493800 -13.1671 -34.3534 4.3044 -33.4784 -1.27585 -9.29672 4.30157 -9.19649 29.8587 TIMING: 1493800 CPU: 4498.91, 0.00302813/step Wall: 4498.91, 0.00302813/step, 2.94923 hours remaining, 207.503906 MB of memory in use. ENERGY: 1493800 722.2854 2112.2449 1941.6581 106.0587 -206111.5504 17876.2684 0.0000 0.0000 34089.9910 -149263.0439 297.7164 -183353.0349 -149167.9016 298.9873 23.0528 54.6266 557631.6244 5.1617 5.1386 PRESSURE: 1494000 -90.8689 -110.9 144.319 -110.902 238.259 -60.5101 144.319 -60.5111 9.69598 GPRESSURE: 1494000 -20.3084 -194.751 139.626 -126.755 220.88 -4.58046 126.302 -1.611 49.1112 PRESSAVG: 1494000 -10.8543 28.8888 1.90859 28.8887 4.25113 -5.47902 1.90854 -5.47904 13.5918 GPRESSAVG: 1494000 -11.7419 29.1879 1.50075 25.4129 5.24595 -5.66056 -0.802817 -3.79416 13.6066 TIMING: 1494000 CPU: 4499.53, 0.00307531/step Wall: 4499.53, 0.00307531/step, 2.99501 hours remaining, 207.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1494000 787.7800 2023.2481 1931.0506 96.9519 -206455.8005 18075.4233 0.0000 0.0000 34042.3362 -149499.0105 297.3002 -183541.3467 -149397.9682 298.6358 52.3619 83.2277 557754.5798 2.3295 2.3702 PRESSURE: 1494200 -191.5 -222.703 -23.5316 -222.703 -69.6258 -15.8556 -23.531 -15.8563 -23.4217 GPRESSURE: 1494200 -98.6808 -328.069 -57.821 -194.913 -64.3248 -100.899 37.0317 16.0101 -30.3427 PRESSAVG: 1494200 -38.5076 -101.525 2.4358 -101.525 4.23796 -55.8103 2.4358 -55.8103 -26.7811 GPRESSAVG: 1494200 -37.6786 -101.433 3.4721 -99.4769 5.18726 -54.2248 3.70971 -59.0752 -28.8251 TIMING: 1494200 CPU: 4500.13, 0.00302774/step Wall: 4500.13, 0.00302774/step, 2.94851 hours remaining, 207.503906 MB of memory in use. ENERGY: 1494200 758.2715 2080.7054 1927.6986 116.6177 -206321.9551 17782.0539 0.0000 0.0000 34247.5322 -149409.0758 299.0922 -183656.6080 -149311.3697 298.3387 -94.8492 -64.4494 557786.8533 -20.3502 -20.4388 PRESSURE: 1494400 189.467 89.2634 -160.244 89.2636 -270.18 3.17177 -160.244 3.17162 225.891 GPRESSURE: 1494400 225.566 80.8632 -74.8099 18.4559 -188.171 0.319472 -167.425 7.59165 216.007 PRESSAVG: 1494400 51.2801 24.353 -20.6042 24.3529 -6.71277 -50.2846 -20.6042 -50.2845 1.29328 GPRESSAVG: 1494400 50.87 25.3898 -20.0964 23.7936 -8.08708 -51.8892 -21.4216 -47.5614 3.53335 TIMING: 1494400 CPU: 4500.74, 0.00303017/step Wall: 4500.74, 0.00303017/step, 2.95071 hours remaining, 207.503906 MB of memory in use. ENERGY: 1494400 740.6314 2113.1028 1910.6116 122.0043 -206269.2439 17866.1649 0.0000 0.0000 34238.9573 -149277.7716 299.0173 -183516.7289 -149177.2009 299.1958 48.3926 84.4675 558205.5053 15.2869 15.4388 PRESSURE: 1494600 82.7436 25.6215 -56.1571 25.6219 128.875 133.175 -56.1566 133.176 -120.989 GPRESSURE: 1494600 96.5303 50.5657 -80.1538 -10.3893 194.546 155.793 -49.2246 92.8079 -108.909 PRESSAVG: 1494600 26.0083 -17.5091 -32.8858 -17.509 -26.0073 1.46427 -32.8858 1.46413 8.65914 GPRESSAVG: 1494600 26.0033 -17.353 -32.3136 -19.0296 -25.1313 0.567149 -30.9369 -0.597878 7.49394 TIMING: 1494600 CPU: 4501.35, 0.00306068/step Wall: 4501.35, 0.00306068/step, 2.98025 hours remaining, 207.503906 MB of memory in use. ENERGY: 1494600 753.7178 2095.1220 1902.4632 102.9885 -206474.0534 17988.9650 0.0000 0.0000 34268.4368 -149362.3601 299.2748 -183630.7969 -149264.4837 299.1283 30.2101 60.7224 557462.2933 2.8867 2.7886 PRESSURE: 1494800 18.5492 22.9189 -53.0162 22.9176 38.3379 21.9551 -53.0158 21.9553 -176.549 GPRESSURE: 1494800 60.3537 14.6038 2.05935 23.057 17.0275 94.9875 -50.3472 -41.7434 -112.211 PRESSAVG: 1494800 -18.033 -20.973 -71.0708 -20.973 11.1949 34.4948 -71.0708 34.4948 -15.4372 GPRESSAVG: 1494800 -18.4961 -23.2093 -72.9781 -18.3241 9.87672 36.3683 -71.1176 36.9451 -13.8684 TIMING: 1494800 CPU: 4501.96, 0.00304451/step Wall: 4501.96, 0.00304451/step, 2.96434 hours remaining, 207.503906 MB of memory in use. ENERGY: 1494800 754.5309 2156.7828 1963.8866 114.7662 -206379.2127 17968.0119 0.0000 0.0000 34190.0307 -149231.2036 298.5900 -183421.2343 -149133.2498 298.9417 -39.8874 -11.6098 557700.3428 -7.4251 -7.4959 PRESSURE: 1495000 34.6898 7.2159 43.6169 7.21647 366.303 -92.5136 43.6174 -92.5124 294.271 GPRESSURE: 1495000 142.222 18.9588 71.7265 0.465917 320.818 -152.785 43.002 -51.4781 339.573 PRESSAVG: 1495000 35.1668 -39.781 -24.3354 -39.781 22.236 42.969 -24.3354 42.9689 6.03416 GPRESSAVG: 1495000 35.8296 -38.9997 -23.6771 -41.7187 23.1421 42.3491 -25.2729 41.2298 4.98163 TIMING: 1495000 CPU: 4502.57, 0.00304258/step Wall: 4502.57, 0.00304258/step, 2.96229 hours remaining, 207.503906 MB of memory in use. ENERGY: 1495000 755.7673 2124.0379 1934.7211 129.8081 -206433.9962 18012.1346 0.0000 0.0000 34196.5352 -149280.9919 298.6468 -183477.5272 -149177.0086 299.7285 231.7545 267.5377 556119.0272 21.1456 21.3178 PRESSURE: 1495200 -44.5621 13.1378 204.48 13.1387 149.464 116.348 204.48 116.348 65.1107 GPRESSURE: 1495200 -56.8595 -12.2498 173.785 40.8537 195.633 88.3271 295.906 119.424 137.223 PRESSAVG: 1495200 -49.8512 -19.2855 -13.663 -19.2856 64.2115 30.3419 -13.6629 30.3418 9.23603 GPRESSAVG: 1495200 -50.7171 -17.3577 -14.2757 -20.1043 64.6323 31.3174 -13.1828 31.5604 9.59163 TIMING: 1495200 CPU: 4503.18, 0.00304588/step Wall: 4503.18, 0.00304588/step, 2.96534 hours remaining, 207.503906 MB of memory in use. ENERGY: 1495200 766.3490 2056.7753 1945.1734 101.3191 -206503.2520 17892.1764 0.0000 0.0000 34315.8397 -149425.6191 299.6888 -183741.4588 -149325.5650 299.2469 56.6708 91.9988 556748.9647 7.8655 7.8356 PRESSURE: 1495400 6.47308 -120.954 7.3879 -120.955 -312.313 -197.584 7.389 -197.583 -427.654 GPRESSURE: 1495400 36.5177 -112.428 31.7792 -98.8784 -317.663 -172.47 -72.6618 -156.826 -348.983 PRESSAVG: 1495400 -53.3692 26.2394 -41.8727 26.2395 21.8596 30.307 -41.8726 30.3068 -15.9765 GPRESSAVG: 1495400 -53.008 26.7477 -40.6315 27.8554 21.9351 29.6015 -43.7281 33.1127 -16.577 TIMING: 1495400 CPU: 4503.79, 0.00304385/step Wall: 4503.79, 0.00304385/step, 2.96318 hours remaining, 207.503906 MB of memory in use. ENERGY: 1495400 741.6890 2107.6333 1946.6633 106.7771 -205996.9817 17514.4025 0.0000 0.0000 34025.6691 -149554.1473 297.1546 -183579.8164 -149455.1660 297.8000 -244.4982 -210.0426 558670.4388 -15.8287 -15.8833 PRESSURE: 1495600 19.1879 -10.9927 -53.4706 -10.9936 -182.455 -277.017 -53.4697 -277.018 -43.0664 GPRESSURE: 1495600 86.4061 -40.2614 -82.3107 -16.4369 -129.487 -236.308 6.34616 -287.144 -67.018 PRESSAVG: 1495600 123.916 35.4064 -16.7656 35.4063 -83.0804 -16.6473 -16.7655 -16.6472 -73.368 GPRESSAVG: 1495600 123.933 34.5247 -16.066 34.4696 -83.7508 -15.4723 -17.3232 -20.3595 -73.0075 TIMING: 1495600 CPU: 4504.4, 0.00304481/step Wall: 4504.4, 0.00304481/step, 2.96396 hours remaining, 207.503906 MB of memory in use. ENERGY: 1495600 742.7669 2131.7289 1923.6117 123.5705 -206492.6391 17918.0555 0.0000 0.0000 34248.4254 -149404.4802 299.1000 -183652.9056 -149308.8968 298.4961 -68.7779 -36.6995 557812.7473 -10.8443 -10.9416 PRESSURE: 1495800 -133.223 -52.5482 73.0688 -52.5482 -124.643 -10.3018 73.0678 -10.3013 -119.516 GPRESSURE: 1495800 -116.441 -56.0913 99.1196 -57.2191 -86.2338 -112.254 25.3997 75.9554 -81.0165 PRESSAVG: 1495800 96.9937 -12.5843 28.3945 -12.5842 -76.8425 22.4712 28.3946 22.4713 4.46037 GPRESSAVG: 1495800 97.1646 -14.0095 26.5052 -12.454 -78.0567 22.0171 30.5529 23.6194 5.32499 TIMING: 1495800 CPU: 4505, 0.00302445/step Wall: 4505, 0.00302445/step, 2.94397 hours remaining, 207.503906 MB of memory in use. ENERGY: 1495800 766.4381 2066.3530 1946.8330 127.9008 -206183.8741 17744.8529 0.0000 0.0000 34131.4432 -149400.0530 298.0784 -183531.4962 -149299.4615 298.6505 -125.7941 -94.5637 558679.1795 8.2039 8.1443 PRESSURE: 1496000 203.251 145.35 62.6161 145.35 40.5935 24.5616 62.6158 24.5612 38.7876 GPRESSURE: 1496000 210.69 87.9323 11.4115 78.248 97.3187 83.0512 80.3174 18.7298 73.1676 PRESSAVG: 1496000 33.7502 -0.319478 -48.5431 -0.319518 -53.8156 -24.7892 -48.5432 -24.7891 70.8334 GPRESSAVG: 1496000 33.0592 1.12394 -47.4346 -1.63228 -52.0391 -26.1812 -49.1885 -23.5612 70.3232 TIMING: 1496000 CPU: 4505.61, 0.00305316/step Wall: 4505.61, 0.00305316/step, 2.97174 hours remaining, 207.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1496000 734.5762 2070.8579 1936.6699 127.0186 -206339.3049 17874.1819 0.0000 0.0000 34254.0089 -149341.9915 299.1488 -183596.0004 -149244.9254 298.9034 94.2106 127.0587 556521.7873 16.9227 17.1144 PRESSURE: 1496200 155.93 -14.7742 -208.963 -14.7741 161.023 -35.2789 -208.963 -35.2813 173.612 GPRESSURE: 1496200 193.316 -71.7002 -180.525 39.8084 167.748 19.931 -188.844 -10.5799 221.582 PRESSAVG: 1496200 84.4153 19.1643 -63.6191 19.1642 -4.31384 18.7563 -63.6191 18.7563 -37.2505 GPRESSAVG: 1496200 85.2271 17.8244 -65.7662 21.0375 -5.57915 20.5437 -62.5421 16.7808 -36.6155 TIMING: 1496200 CPU: 4506.23, 0.00307781/step Wall: 4506.23, 0.00307781/step, 2.99556 hours remaining, 207.503906 MB of memory in use. ENERGY: 1496200 707.9426 2100.6357 1910.0645 115.2660 -206528.1392 17993.2865 0.0000 0.0000 34189.2020 -149511.7420 298.5828 -183700.9440 -149407.5943 298.6499 163.5214 194.2152 557094.3744 14.2837 14.3441 LDB: ============= START OF LOAD BALANCING ============== 4509.75 LDB: ============== END OF LOAD BALANCING =============== 4509.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4509.75 LDB: ============= START OF LOAD BALANCING ============== 4510.06 LDB: Largest compute 4800 load 0.031639 is 26.8% of average load 0.117918 LDB: Average compute 0.001735 is 1.5% of average load 0.117918 LDB: TIME 4510.07 LOAD: AVG 0.117918 MAX 0.22223 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.066 MB LDB: TIME 4510.07 LOAD: AVG 0.117918 MAX 0.22223 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.27 MB LDB: TIME 4510.07 LOAD: AVG 0.117918 MAX 0.22223 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.27 MB LDB: ============== END OF LOAD BALANCING =============== 4510.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4510.07 PRESSURE: 1496400 -2.38509 -33.3326 -38.9009 -33.3331 183.417 -247.257 -38.899 -247.258 104.955 GPRESSURE: 1496400 27.6608 1.02665 8.02232 -24.9468 169.676 -270.225 -21.8906 -241.606 167.095 PRESSAVG: 1496400 21.4578 12.8458 -35.6317 12.8458 -32.6022 23.5811 -35.6316 23.5812 52.2669 GPRESSAVG: 1496400 22.1934 12.7724 -35.7111 11.1328 -32.4637 22.8607 -37.2438 21.6176 51.49 TIMING: 1496400 CPU: 4506.86, 0.00314627/step Wall: 4506.86, 0.00314627/step, 3.06202 hours remaining, 207.613281 MB of memory in use. ENERGY: 1496400 740.0532 2072.7930 1924.2460 111.8770 -206616.4326 18130.3364 0.0000 0.0000 33957.0781 -149680.0488 296.5556 -183637.1269 -149587.3890 298.3483 95.3287 121.4775 556742.0597 13.7075 13.7399 PRESSURE: 1496600 23.51 -50.8746 77.9102 -50.8744 79.6708 126.305 77.911 126.306 -13.2273 GPRESSURE: 1496600 90.4687 -118.597 19.5126 -19.517 78.3845 118.082 103.893 56.5217 17.2473 PRESSAVG: 1496600 -35.8441 8.41803 -13.1432 8.41802 -51.0743 17.0161 -13.1432 17.0159 42.4445 GPRESSAVG: 1496600 -36.0276 10.0711 -11.5236 10.1402 -50.5744 14.6417 -13.2334 21.0902 42.1139 TIMING: 1496600 CPU: 4507.47, 0.00308942/step Wall: 4507.47, 0.00308942/step, 3.00652 hours remaining, 207.613281 MB of memory in use. ENERGY: 1496600 727.2180 2120.4485 1940.0377 103.2258 -206745.8140 17947.4244 0.0000 0.0000 34309.8638 -149597.5958 299.6366 -183907.4596 -149505.8208 298.3037 29.9845 62.0335 555213.6057 -14.8247 -14.8294 PRESSURE: 1496800 95.5939 -33.8317 33.5086 -33.8314 108.238 227.171 33.5094 227.17 -270.112 GPRESSURE: 1496800 43.9444 -82.8064 120.136 -45.1867 156.673 188.696 -30.7479 168.085 -165.373 PRESSAVG: 1496800 -28.6808 2.3259 18.5911 2.32583 1.41157 -9.37085 18.591 -9.37074 27.8763 GPRESSAVG: 1496800 -28.0854 -0.0198381 20.3774 3.67111 1.5347 -8.31091 18.9658 -8.99787 27.5628 TIMING: 1496800 CPU: 4508.08, 0.00303635/step Wall: 4508.08, 0.00303635/step, 2.9547 hours remaining, 207.613281 MB of memory in use. ENERGY: 1496800 707.0202 2073.5679 1937.6953 100.6625 -206764.1015 17930.0924 0.0000 0.0000 34540.1043 -149474.9589 301.6473 -184015.0633 -149381.5969 298.5487 -22.0934 11.7479 556107.0995 0.2023 0.3374 PRESSURE: 1497000 -163.944 105.431 -89.3773 105.431 -140.924 64.5928 -89.378 64.5923 -151.4 GPRESSURE: 1497000 -123.654 75.1377 -148.369 121.396 -90.7761 79.0502 -139.047 56.2742 -152.453 PRESSAVG: 1497000 -26.2731 13.2867 10.2691 13.2868 -54.134 32.6943 10.269 32.6943 34.3451 GPRESSAVG: 1497000 -26.9859 13.7589 10.2319 9.47054 -53.743 33.9478 9.6695 29.7768 34.779 TIMING: 1497000 CPU: 4508.69, 0.00301888/step Wall: 4508.69, 0.00301888/step, 2.93754 hours remaining, 207.613281 MB of memory in use. ENERGY: 1497000 715.6645 2096.1995 1939.1900 111.2122 -206053.1060 17496.9899 0.0000 0.0000 34316.4032 -149377.4467 299.6937 -183693.8498 -149284.8223 299.4504 -152.0896 -122.2941 557068.0853 -15.3540 -15.3166 PRESSURE: 1497200 -37.2886 0.0758019 -49.4752 0.0750231 -218.361 -114.656 -49.4749 -114.657 -125.095 GPRESSURE: 1497200 3.10726 34.0794 -14.6857 76.6022 -215.836 -203.138 -72.3994 -48.5308 -72.6059 PRESSAVG: 1497200 10.5644 5.32251 46.8985 5.32248 -19.7532 25.8401 46.8985 25.8399 -24.3261 GPRESSAVG: 1497200 10.267 6.04762 44.9015 7.9704 -19.7874 25.5791 48.2106 24.4967 -23.9998 TIMING: 1497200 CPU: 4509.29, 0.00303177/step Wall: 4509.29, 0.00303177/step, 2.94992 hours remaining, 207.613281 MB of memory in use. ENERGY: 1497200 765.9038 2045.7228 1917.2137 103.1608 -206306.4937 17621.1686 0.0000 0.0000 34514.8054 -149338.5186 301.4264 -183853.3240 -149244.2263 298.7208 -126.9148 -95.1115 556414.2982 -11.1716 -11.1734 PRESSURE: 1497400 -184.563 182.714 -33.6413 182.714 -37.6144 233.511 -33.6419 233.512 -54.0116 GPRESSURE: 1497400 -118.492 131.037 19.0943 136.944 -32.6885 118.51 -69.9657 227.117 -37.59 PRESSAVG: 1497400 -21.4771 12.1473 -33.702 12.1473 -4.44306 2.86403 -33.702 2.86402 71.9811 GPRESSAVG: 1497400 -22.1019 12.2047 -33.6673 10.7969 -4.10587 0.857849 -33.2235 5.48968 71.7579 TIMING: 1497400 CPU: 4509.9, 0.00305153/step Wall: 4509.9, 0.00305153/step, 2.96897 hours remaining, 207.875000 MB of memory in use. ENERGY: 1497400 767.0709 2077.5101 1933.9525 119.8096 -206453.3416 17865.5509 0.0000 0.0000 34321.7876 -149367.6599 299.7407 -183689.4475 -149278.9227 299.4340 -92.0631 -62.9236 557325.8563 15.3537 15.1834 PRESSURE: 1497600 31.2859 -3.8218 -112.65 -3.82215 -96.4715 24.0611 -112.651 24.0612 32.6328 GPRESSURE: 1497600 22.4696 -69.2972 -43.3009 75.8599 -15.1319 69.5363 -209.921 22.4802 55.4725 PRESSAVG: 1497600 -23.9792 4.48811 -14.8417 4.48813 -57.3852 20.9515 -14.8417 20.9515 39.7242 GPRESSAVG: 1497600 -23.4205 3.12028 -14.4992 5.52869 -57.2279 22.0522 -16.4201 21.6948 39.4443 TIMING: 1497600 CPU: 4510.51, 0.00303269/step Wall: 4510.51, 0.00303269/step, 2.95047 hours remaining, 207.875000 MB of memory in use. ENERGY: 1497600 715.6760 2069.5964 1913.9147 112.1673 -205557.7619 17350.2486 0.0000 0.0000 34139.8141 -149256.3447 298.1515 -183396.1588 -149162.8710 298.8830 -10.8510 20.9367 556280.8250 -13.8801 -13.7347 PRESSURE: 1497800 -224.838 11.9628 83.7241 11.9617 -206.469 -47.3138 83.723 -47.3132 130.64 GPRESSURE: 1497800 -212.793 19.9859 36.4361 54.4718 -139.368 16.7468 109.265 -125.206 134.814 PRESSAVG: 1497800 -36.407 29.1707 29.1201 29.1707 -61.6388 -25.2026 29.12 -25.2026 113.495 GPRESSAVG: 1497800 -37.0365 29.8817 28.233 30.658 -61.0854 -24.803 30.4258 -25.3658 113.354 TIMING: 1497800 CPU: 4511.12, 0.00304072/step Wall: 4511.12, 0.00304072/step, 2.95811 hours remaining, 207.875000 MB of memory in use. ENERGY: 1497800 764.7733 2098.1283 1949.0298 125.7679 -206236.8903 17813.7446 0.0000 0.0000 34157.6109 -149327.8353 298.3069 -183485.4463 -149227.7531 299.6757 -100.2226 -72.4490 558297.8095 5.1497 5.0773 PRESSURE: 1498000 -200.408 -45.809 -107.988 -45.8079 -157.112 209.212 -107.988 209.21 105.29 GPRESSURE: 1498000 -126.543 -145.069 -43.8657 60.3843 -160.559 231.821 -201.071 188.786 139.68 PRESSAVG: 1498000 -74.8965 3.77281 -5.47765 3.7728 -40.6542 66.3089 -5.47771 66.3089 85.3961 GPRESSAVG: 1498000 -74.4485 4.0547 -5.1248 3.05312 -40.7379 65.4744 -5.95747 66.2674 85.5459 TIMING: 1498000 CPU: 4511.72, 0.00303993/step Wall: 4511.72, 0.00303993/step, 2.95718 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: 1498000 764.6348 2095.7926 1966.9294 114.4224 -205976.3696 17595.1906 0.0000 0.0000 33835.7106 -149603.6893 295.4957 -183439.3999 -149511.9732 298.6507 -84.0768 -49.1407 555842.3602 -10.0515 -9.8802 PRESSURE: 1498200 -143.567 101.393 15.6248 101.392 -294.021 -174.819 15.6259 -174.819 141.849 GPRESSURE: 1498200 -120.498 161.348 17.6341 -1.81585 -217.162 -139.333 17.0187 -138.674 139.863 PRESSAVG: 1498200 -15.116 -0.491705 -45.6078 -0.491705 -48.3458 38.1438 -45.6078 38.144 17.9232 GPRESSAVG: 1498200 -14.6364 -0.508332 -44.9353 -0.735806 -48.7819 37.5389 -45.5116 38.726 17.9198 TIMING: 1498200 CPU: 4512.33, 0.00301191/step Wall: 4512.33, 0.00301191/step, 2.92975 hours remaining, 207.875000 MB of memory in use. ENERGY: 1498200 753.2573 2100.9568 1969.0167 117.9824 -206169.4472 17564.8070 0.0000 0.0000 34187.6711 -149475.7558 298.5694 -183663.4270 -149381.4081 298.3432 -98.5795 -65.9322 555447.9752 -15.1795 -15.1662 PRESSURE: 1498400 -33.8322 20.0711 -19.374 20.0705 -153.052 72.755 -19.3735 72.7545 -174.7 GPRESSURE: 1498400 -42.1618 106.785 -2.77147 -43.9002 -99.1202 -7.09894 -28.4341 89.1448 -135.456 PRESSAVG: 1498400 -12.8898 -2.27377 -23.1435 -2.27378 -90.3388 -4.63063 -23.1433 -4.63057 100.862 GPRESSAVG: 1498400 -14.034 -1.84638 -24.3365 -3.87865 -90.2904 -4.70299 -23.6466 -4.42499 101.172 TIMING: 1498400 CPU: 4512.93, 0.00300925/step Wall: 4512.93, 0.00300925/step, 2.92699 hours remaining, 207.875000 MB of memory in use. ENERGY: 1498400 756.3102 2125.4300 1928.2837 110.6468 -206289.3658 17766.5638 0.0000 0.0000 34323.6599 -149278.4712 299.7571 -183602.1311 -149183.1702 298.3283 -120.5278 -92.2459 557149.2232 -0.7890 -1.0509 PRESSURE: 1498600 -91.7639 68.4929 227.563 68.4927 5.515 39.1829 227.563 39.1838 -82.7934 GPRESSURE: 1498600 -32.9656 23.6786 205.303 41.6609 -30.937 -2.05789 225.495 66.3379 -33.4292 PRESSAVG: 1498600 10.994 -32.2248 -5.60564 -32.2248 -46.7373 -7.63565 -5.60563 -7.63573 26.2182 GPRESSAVG: 1498600 12.9117 -34.6403 -4.89639 -29.0121 -47.0543 -7.66384 -6.54612 -7.85635 23.8353 TIMING: 1498600 CPU: 4513.52, 0.00297944/step Wall: 4513.52, 0.00297944/step, 2.89784 hours remaining, 207.875000 MB of memory in use. ENERGY: 1498600 760.4370 2138.8056 1937.7815 116.4393 -205787.2785 17634.5752 0.0000 0.0000 33837.2978 -149361.9421 295.5095 -183199.2399 -149273.0883 298.4107 -56.3474 -32.4439 557806.7224 -3.1750 -3.4358 PRESSURE: 1498800 -81.6875 -23.9692 123.402 -23.969 92.4566 57.2786 123.402 57.278 11.6769 GPRESSURE: 1498800 -50.1928 -21.6548 148.7 -32.358 62.5459 135.879 147.89 74.0137 89.9405 PRESSAVG: 1498800 52.2633 -29.6359 4.40634 -29.6359 -31.7156 2.63056 4.40633 2.63067 4.06005 GPRESSAVG: 1498800 51.0859 -28.5544 3.91905 -30.9014 -32.4174 4.10494 5.64318 2.95702 5.88868 TIMING: 1498800 CPU: 4514.13, 0.00300198/step Wall: 4514.13, 0.00300198/step, 2.91959 hours remaining, 207.875000 MB of memory in use. ENERGY: 1498800 714.8851 2060.8108 1956.4369 102.9380 -206135.7261 17664.1509 0.0000 0.0000 34148.6582 -149487.8462 298.2287 -183636.5044 -149391.0587 298.5023 7.4820 34.0979 556984.2774 8.2026 8.1857 PRESSURE: 1499000 -35.3396 45.1944 -107.894 45.194 -221.734 -42.2299 -107.893 -42.2299 -215.663 GPRESSURE: 1499000 -3.57155 24.5934 -144.568 62.795 -137.587 -21.5283 -29.0307 -77.8089 -230.312 PRESSAVG: 1499000 27.723 -36.7475 -30.7028 -36.7475 -42.8993 21.0102 -30.7029 21.0102 -7.3645 GPRESSAVG: 1499000 27.0808 -36.8559 -28.953 -36.257 -42.0932 21.1305 -29.6419 19.1043 -7.75393 TIMING: 1499000 CPU: 4514.74, 0.00304961/step Wall: 4514.74, 0.00304961/step, 2.96574 hours remaining, 207.875000 MB of memory in use. ENERGY: 1499000 716.0917 2112.6567 1923.1433 109.5162 -206420.4091 17710.0967 0.0000 0.0000 34284.2020 -149564.7026 299.4125 -183848.9046 -149470.9967 298.2841 -157.5789 -123.8233 556619.3899 -7.5136 -7.5888 PRESSURE: 1499200 -69.5383 28.3884 25.487 28.3899 -381.152 123.354 25.4862 123.354 116.812 GPRESSURE: 1499200 3.93832 106.731 84.9148 67.9382 -389.161 116.604 51.7826 134.234 153.283 PRESSAVG: 1499200 5.08905 -55.7485 30.8969 -55.7484 -63.4769 17 30.8969 17.0001 35.4784 GPRESSAVG: 1499200 5.90648 -55.4098 31.7496 -56.3081 -63.8622 16.2726 28.9086 17.6691 35.4887 TIMING: 1499200 CPU: 4515.34, 0.00304006/step Wall: 4515.34, 0.00304006/step, 2.95629 hours remaining, 207.875000 MB of memory in use. ENERGY: 1499200 756.2275 2081.4214 1926.1977 105.9786 -206384.9914 17712.6295 0.0000 0.0000 34229.8711 -149572.6656 298.9380 -183802.5368 -149475.6894 297.9977 -111.2927 -77.3131 557009.8522 -7.6365 -7.4890 PRESSURE: 1499400 81.6758 119.485 -64.0639 119.486 135.386 77.7427 -64.0629 77.7429 -15.1564 GPRESSURE: 1499400 72.6461 116.214 -76.8303 108.258 185.607 129.405 -116.577 24.8045 48.2125 PRESSAVG: 1499400 -22.0337 11.972 6.12346 11.972 -39.0815 24.6208 6.12347 24.6207 66.5254 GPRESSAVG: 1499400 -22.399 11.4925 4.17587 10.4805 -38.6102 25.5193 7.65656 25.5505 66.7661 TIMING: 1499400 CPU: 4515.95, 0.00302576/step Wall: 4515.95, 0.00302576/step, 2.94222 hours remaining, 207.875000 MB of memory in use. ENERGY: 1499400 765.6836 2064.0260 1954.6625 119.4707 -206788.5404 18140.7475 0.0000 0.0000 34167.0520 -149576.8981 298.3894 -183743.9501 -149479.2536 298.8674 67.3017 102.1552 556488.1462 1.8034 1.9190 PRESSURE: 1499600 -57.1511 -152.784 195.276 -152.783 347.77 -179.908 195.276 -179.907 -150.707 GPRESSURE: 1499600 -9.44132 -65.0177 220.097 -178.26 325.442 -168.533 212.733 -100.225 -83.0648 PRESSAVG: 1499600 -18.103 -4.11689 -18.9762 -4.1169 35.1146 17.3602 -18.9763 17.3602 4.94885 GPRESSAVG: 1499600 -16.9964 -1.19488 -20.4467 -2.58689 33.8744 15.6864 -18.9296 18.6062 5.26183 TIMING: 1499600 CPU: 4516.56, 0.0030437/step Wall: 4516.56, 0.0030437/step, 2.9595 hours remaining, 207.875000 MB of memory in use. ENERGY: 1499600 764.7631 2110.8770 1933.3030 105.5982 -206589.9844 17971.7254 0.0000 0.0000 34399.0966 -149304.6211 300.4159 -183703.7177 -149214.0766 299.3131 46.6372 77.6454 556665.9904 7.3202 7.3799 PRESSURE: 1499800 -137.633 76.848 -87.4264 76.8492 22.7542 25.3823 -87.4261 25.3826 -150.565 GPRESSURE: 1499800 -122.883 138.442 -64.4671 103.327 45.7904 -17.0943 -148.586 19.1899 -83.4344 PRESSAVG: 1499800 9.71602 -1.36446 10.7975 -1.36447 87.8407 -31.2065 10.7975 -31.2064 -64.2134 GPRESSAVG: 1499800 8.79724 -4.83934 11.099 -1.59221 88.0175 -32.2657 9.5375 -32.0161 -63.6176 TIMING: 1499800 CPU: 4517.16, 0.00303661/step Wall: 4517.16, 0.00303661/step, 2.95242 hours remaining, 208.085938 MB of memory in use. ENERGY: 1499800 744.8117 2089.7367 1915.2878 106.5587 -206111.9192 17745.5914 0.0000 0.0000 34162.4699 -149347.4630 298.3493 -183509.9328 -149252.0253 299.6865 -88.4814 -53.5091 558949.5739 11.1144 11.0657 PRESSURE: 1500000 -159.104 -4.26243 212.53 -4.26134 3.13075 -38.9169 212.53 -38.915 -3.98907 GPRESSURE: 1500000 -102.399 -1.84503 223.445 -54.7107 -1.27612 20.8814 174.448 -7.70681 38.5188 PRESSAVG: 1500000 -89.6442 10.0856 -17.8787 10.0856 8.65512 3.5391 -17.8788 3.53892 67.6813 GPRESSAVG: 1500000 -89.5578 12.2666 -15.1856 9.93862 8.73613 4.74574 -19.5077 3.83978 67.7464 TIMING: 1500000 CPU: 4517.77, 0.00302075/step Wall: 4517.77, 0.00302075/step, 2.93684 hours remaining, 208.085938 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: 1500000 726.0223 2146.6251 1946.2832 114.5941 -206529.4419 17808.8256 0.0000 0.0000 34282.5884 -149504.5031 299.3984 -183787.0915 -149412.9209 299.1437 -53.3207 -21.7187 558093.9983 -4.4359 -4.3584 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1500000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 1500000 WRITING COORDINATES TO RESTART FILE AT STEP 1500000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1500000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1500200 16.8149 173.388 -79.7808 173.388 -98.0104 -106.075 -79.7807 -106.075 81.3331 GPRESSURE: 1500200 65.1374 141.148 -51.9404 214.933 -77.1269 -46.4805 -29.2649 -98.5046 106.181 PRESSAVG: 1500200 -47.22 -25.7126 33.5619 -25.7126 29.7379 -57.0964 33.562 -57.0964 2.23095 GPRESSAVG: 1500200 -47.9623 -27.3812 32.5618 -26.5402 30.9581 -55.7382 35.6291 -57.9555 1.998 TIMING: 1500200 CPU: 4518.44, 0.00333307/step Wall: 4518.44, 0.00333307/step, 3.2403 hours remaining, 208.085938 MB of memory in use. ENERGY: 1500200 783.1707 2055.9897 1946.8989 127.8782 -206507.6459 17961.0991 0.0000 0.0000 34185.9564 -149446.6529 298.5545 -183632.6093 -149350.9154 298.6680 0.0459 31.3973 557543.8178 -5.0837 -5.0021 LDB: ============= START OF LOAD BALANCING ============== 4521.95 LDB: ============== END OF LOAD BALANCING =============== 4521.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4521.96 LDB: ============= START OF LOAD BALANCING ============== 4522.26 LDB: Largest compute 4800 load 0.032602 is 27.6% of average load 0.117988 LDB: Average compute 0.001734 is 1.5% of average load 0.117988 LDB: TIME 4522.26 LOAD: AVG 0.117988 MAX 0.216149 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.043 MB LDB: TIME 4522.26 LOAD: AVG 0.117988 MAX 0.216149 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.043 MB LDB: TIME 4522.26 LOAD: AVG 0.117988 MAX 0.216149 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.043 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4522.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4522.27 PRESSURE: 1500400 -246.732 -153.066 -2.81254 -153.066 -79.0015 -24.994 -2.81402 -24.9925 -95.0138 GPRESSURE: 1500400 -197.099 -83.8444 -22.0037 -297.473 -51.0345 -10.7545 -2.67783 -13.271 -84.134 PRESSAVG: 1500400 -47.0919 -15.29 8.01997 -15.2902 24.4813 -13.6086 8.01995 -13.6086 26.572 GPRESSAVG: 1500400 -45.7895 -16.4537 6.04369 -14.0564 23.4284 -16.7818 7.61241 -11.7344 26.7572 TIMING: 1500400 CPU: 4519.05, 0.00307645/step Wall: 4519.05, 0.00307645/step, 2.99065 hours remaining, 209.296875 MB of memory in use. ENERGY: 1500400 788.8086 2121.9490 1951.4570 107.8685 -206020.5803 17468.3044 0.0000 0.0000 34230.6336 -149351.5590 298.9446 -183582.1927 -149252.9711 299.0424 -140.2490 -110.7559 556832.1019 1.3205 1.4654 PRESSURE: 1500600 64.2644 -228.424 -13.9812 -228.424 -175.466 79.9027 -13.9799 79.9028 114.37 GPRESSURE: 1500600 126.943 -218.024 -22.1845 -296.188 -176.093 75.2146 32.2162 37.0008 131.771 PRESSAVG: 1500600 -25.0034 -7.40212 21.6131 -7.40214 5.73501 -16.2443 21.6131 -16.2443 18.0312 GPRESSAVG: 1500600 -25.4626 -5.69871 24.2802 -10.0566 5.84876 -15.3609 23.7816 -18.0217 18.3149 TIMING: 1500600 CPU: 4519.66, 0.00303755/step Wall: 4519.66, 0.00303755/step, 2.95267 hours remaining, 209.296875 MB of memory in use. ENERGY: 1500600 758.4276 2117.1691 1941.5484 112.4572 -206185.1166 17817.5808 0.0000 0.0000 33964.1004 -149473.8331 296.6169 -183437.9335 -149372.8085 299.1077 1.0561 27.5401 557126.4825 -0.4124 -0.4330 PRESSURE: 1500800 -26.2745 -28.4368 -106.617 -28.4378 -33.0587 -251.742 -106.616 -251.741 108.029 GPRESSURE: 1500800 39.1685 -57.7913 -94.6092 -42.7392 -41.0566 -213.182 -48.7394 -263.626 137.244 PRESSAVG: 1500800 -15.5713 23.0247 20.2103 23.0246 10.3211 43.2326 20.2101 43.2326 38.0013 GPRESSAVG: 1500800 -15.0875 24.4352 17.7771 24.4204 10.6386 43.3893 19.9411 43.089 36.9882 TIMING: 1500800 CPU: 4520.27, 0.00304693/step Wall: 4520.27, 0.00304693/step, 2.96162 hours remaining, 209.296875 MB of memory in use. ENERGY: 1500800 738.9882 2124.3159 1924.0634 122.9079 -206320.5742 17843.8887 0.0000 0.0000 34195.9725 -149370.4376 298.6419 -183566.4101 -149273.4393 299.0546 16.2319 45.1187 556744.0152 10.9170 10.8464 PRESSURE: 1501000 72.2811 -0.103422 98.3406 -0.10283 102.839 160.409 98.3407 160.408 132.472 GPRESSURE: 1501000 118.898 -38.5672 117.133 25.2477 84.6625 104.784 80.6697 236.72 192.818 PRESSAVG: 1501000 2.81859 1.94235 21.3833 1.9424 13.4015 44.0859 21.3833 44.0859 23.6365 GPRESSAVG: 1501000 1.4419 0.502131 21.9319 5.46756 13.6581 45.2169 19.9084 45.1992 24.9841 TIMING: 1501000 CPU: 4520.87, 0.00303688/step Wall: 4520.87, 0.00303688/step, 2.95168 hours remaining, 209.296875 MB of memory in use. ENERGY: 1501000 747.7513 2091.3615 1954.8078 117.8150 -206190.2596 17792.7204 0.0000 0.0000 34228.0072 -149257.7965 298.9217 -183485.8036 -149165.8403 298.8799 102.5307 132.1262 557520.9038 13.2855 13.3614 PRESSURE: 1501200 -119.507 -100.717 88.9058 -100.717 -93.271 -105.935 88.906 -105.935 155.236 GPRESSURE: 1501200 -42.9738 -89.1081 73.7901 -78.1779 -120.03 -41.5513 -2.03634 -159.224 200.195 PRESSAVG: 1501200 -43.9411 40.6394 58.7083 40.6393 -6.50934 14.8409 58.7083 14.8408 13.7622 GPRESSAVG: 1501200 -41.9428 41.7989 60.2149 37.16 -7.24732 13.6762 57.9735 16.0647 12.9917 TIMING: 1501200 CPU: 4521.48, 0.00301632/step Wall: 4521.48, 0.00301632/step, 2.93153 hours remaining, 209.296875 MB of memory in use. ENERGY: 1501200 726.6809 2069.4241 1915.9587 115.1620 -205918.2344 17772.6962 0.0000 0.0000 34111.2877 -149207.0247 297.9024 -183318.3123 -149107.7500 298.7477 -19.1805 12.3970 558054.4559 -12.2294 -12.0661 PRESSURE: 1501400 -106.691 -98.1255 30.9861 -98.1248 121.734 240.384 30.986 240.385 -89.5145 GPRESSURE: 1501400 -75.2046 -6.89967 42.6172 -216.347 148.322 225.323 54.5502 233.929 -52.751 PRESSAVG: 1501400 -83.536 46.4351 -60.9465 46.435 2.73461 -59.7363 -60.9464 -59.7363 49.5777 GPRESSAVG: 1501400 -84.3703 45.0083 -60.5943 47.1578 3.10386 -57.3783 -61.5212 -61.7261 50.0828 TIMING: 1501400 CPU: 4522.08, 0.00303466/step Wall: 4522.08, 0.00303466/step, 2.94919 hours remaining, 209.296875 MB of memory in use. ENERGY: 1501400 718.2677 2126.3621 1963.2132 112.0919 -206211.5105 17800.5204 0.0000 0.0000 34224.4377 -149266.6174 298.8905 -183491.0552 -149170.8916 298.9155 -24.8237 6.7887 558578.9246 -10.4079 -10.3946 PRESSURE: 1501600 -2.93124 -59.8755 0.835968 -59.8759 -240.542 18.094 0.834626 18.0935 -211.037 GPRESSURE: 1501600 30.6178 -79.6194 -18.2941 -75.4356 -210.005 -46.7288 -10.9005 43.7592 -173.148 PRESSAVG: 1501600 -16.4166 0.212018 14.9406 0.211978 50.0725 34.8836 14.9407 34.8836 -1.18584 GPRESSAVG: 1501600 -14.7337 0.225416 12.6394 -0.81293 50.2388 34.8428 16.9369 34.742 -2.22912 TIMING: 1501600 CPU: 4522.7, 0.00305837/step Wall: 4522.7, 0.00305837/step, 2.97205 hours remaining, 209.296875 MB of memory in use. ENERGY: 1501600 735.2192 2090.2870 1933.8247 122.3957 -205807.2521 17362.3995 0.0000 0.0000 34382.6216 -149180.5045 300.2720 -183563.1260 -149080.4339 299.5472 -151.5035 -117.5115 558893.3167 10.8234 11.0920 PRESSURE: 1501800 95.3438 -87.7765 17.3173 -87.7767 407.313 61.235 17.3174 61.2351 202.769 GPRESSURE: 1501800 162.425 -67.0233 -43.5136 -130.855 427.038 31.0804 84.1944 60.1696 196.319 PRESSAVG: 1501800 -6.30528 -39.725 41.9456 -39.725 -28.1368 -30.3528 41.9455 -30.3529 49.7252 GPRESSAVG: 1501800 -7.98243 -39.1932 40.1449 -38.5946 -28.1256 -29.3116 42.5099 -31.2269 50.7876 TIMING: 1501800 CPU: 4523.32, 0.00310221/step Wall: 4523.32, 0.00310221/step, 3.01448 hours remaining, 209.296875 MB of memory in use. ENERGY: 1501800 717.2670 2114.3238 1933.2619 108.2131 -206424.2298 17967.8314 0.0000 0.0000 34525.3144 -149058.0181 301.5182 -183583.3326 -148948.7807 299.3913 235.1417 261.9275 556550.6737 5.0944 4.8932 PRESSURE: 1502000 -145.568 116.691 -14.0236 116.691 -94.4225 -58.1541 -14.0232 -58.1539 -76.0046 GPRESSURE: 1502000 -63.7944 137.358 -31.1473 60.8657 -98.714 37.9418 -39.7975 -51.0886 -50.2454 PRESSAVG: 1502000 47.3805 5.35108 16.1369 5.35116 -37.8414 39.5752 16.1369 39.5751 0.330263 GPRESSAVG: 1502000 47.1032 6.3864 20.2426 3.08195 -36.3481 38.0614 14.3425 41.6202 -0.984458 TIMING: 1502000 CPU: 4523.93, 0.0030811/step Wall: 4523.93, 0.0030811/step, 2.9938 hours remaining, 209.296875 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: 1502000 724.0445 2070.1582 1958.7918 115.9245 -205978.9167 17741.5969 0.0000 0.0000 34281.6791 -149086.7216 299.3904 -183368.4007 -148987.7132 299.4499 -105.3316 -70.9179 558084.7684 3.2898 3.2569 PRESSURE: 1502200 15.2343 -0.661038 -182.398 -0.659992 86.134 -12.0313 -182.397 -12.0304 223.159 GPRESSURE: 1502200 77.4928 -15.427 -265.989 22.3116 92.789 -59.2041 -134.872 66.0256 251.68 PRESSAVG: 1502200 49.5476 -25.6803 -21.4115 -25.6802 -67.6035 16.9184 -21.4115 16.9183 29.5468 GPRESSAVG: 1502200 48.9676 -26.3172 -22.6189 -24.8309 -68.1541 19.3897 -19.7176 15.5386 30.562 TIMING: 1502200 CPU: 4524.54, 0.00302506/step Wall: 4524.54, 0.00302506/step, 2.93918 hours remaining, 209.296875 MB of memory in use. ENERGY: 1502200 742.5538 2052.9473 1933.1222 127.4789 -206355.8119 17983.7601 0.0000 0.0000 34326.5043 -149189.4453 299.7819 -183515.9496 -149081.3324 299.2426 108.1759 140.6539 556216.6554 3.8303 3.7918 PRESSURE: 1502400 -75.8347 -29.6576 97.7416 -29.658 248.017 -3.35701 97.7395 -3.35664 67.5517 GPRESSURE: 1502400 -43.2769 -48.735 93.0278 11.7358 314.76 -119.353 85.4874 77.1959 65.6024 PRESSAVG: 1502400 -36.3598 -38.0399 -15.1252 -38.04 69.682 -40.4417 -15.1252 -40.4417 -53.075 GPRESSAVG: 1502400 -35.976 -37.4575 -15.2154 -36.4358 70.5309 -41.884 -15.9199 -39.1886 -53.9898 TIMING: 1502400 CPU: 4525.14, 0.00301674/step Wall: 4525.14, 0.00301674/step, 2.93093 hours remaining, 209.296875 MB of memory in use. ENERGY: 1502400 723.2496 2103.9025 1941.1383 109.1147 -206457.5382 18010.1876 0.0000 0.0000 34414.3590 -149155.5865 300.5492 -183569.9455 -149055.7382 299.0158 79.9113 112.3619 557654.3387 -6.5843 -6.4783 PRESSURE: 1502600 -205.878 -37.0649 -46.7796 -37.0645 21.4213 -25.579 -46.78 -25.5784 -109.498 GPRESSURE: 1502600 -191.208 -45.0679 -29.6538 -109.53 118.268 -11.6411 -146.418 -89.1899 -135.625 PRESSAVG: 1502600 31.5373 -44.7761 39.6929 -44.7762 33.4702 64.5942 39.6928 64.5942 -14.4787 GPRESSAVG: 1502600 31.9825 -46.0384 42.7565 -45.2398 33.0646 64.9567 37.5544 65.1358 -14.7652 TIMING: 1502600 CPU: 4525.74, 0.00301176/step Wall: 4525.74, 0.00301176/step, 2.92593 hours remaining, 209.296875 MB of memory in use. ENERGY: 1502600 736.5168 2105.6374 1933.8662 127.4305 -206007.5383 17598.2178 0.0000 0.0000 34228.1975 -149277.6720 298.9234 -183505.8695 -149178.9172 299.5511 -97.9849 -69.5215 556830.6790 16.8429 16.7606 PRESSURE: 1502800 38.0506 -3.12678 -56.6616 -3.12744 118.683 -48.7495 -56.6614 -48.7484 -98.3243 GPRESSURE: 1502800 103.417 6.97559 -41.4607 -3.73466 126.357 -102.658 -9.65297 4.22645 -83.7696 PRESSAVG: 1502800 6.21425 29.4678 7.26689 29.4678 52.3829 0.524315 7.26679 0.524242 -66.3964 GPRESSAVG: 1502800 6.11887 30.1955 5.15764 29.4571 51.5998 0.982072 9.5478 -0.249048 -64.5898 TIMING: 1502800 CPU: 4526.35, 0.00302653/step Wall: 4526.35, 0.00302653/step, 2.94011 hours remaining, 209.296875 MB of memory in use. ENERGY: 1502800 781.1513 2088.6858 1923.3555 114.3041 -206089.8414 17746.1988 0.0000 0.0000 34188.8409 -149247.3051 298.5797 -183436.1460 -149154.8536 298.8208 19.4699 48.6681 556283.2619 -2.5998 -2.2904 PRESSURE: 1503000 106.379 53.981 -44.0954 53.9812 -259.405 75.0681 -44.0965 75.0667 -25.3119 GPRESSURE: 1503000 113.318 58.38 -110.833 120.53 -224.271 75.9303 -49.7384 84.4952 33.3727 PRESSAVG: 1503000 -32.7513 -13.8192 13.4062 -13.8192 -23.5357 -8.40445 13.4062 -8.40445 67.5465 GPRESSAVG: 1503000 -32.3475 -13.6331 13.0932 -14.9272 -23.9894 -8.37252 14.0298 -9.5538 67.8345 TIMING: 1503000 CPU: 4526.95, 0.00302053/step Wall: 4526.95, 0.00302053/step, 2.93411 hours remaining, 209.296875 MB of memory in use. ENERGY: 1503000 729.8042 2097.0956 1937.0916 117.8765 -206262.2493 17726.7431 0.0000 0.0000 34388.5400 -149265.0984 300.3237 -183653.6384 -149168.4674 299.2088 -59.4458 -25.8602 556045.8262 3.7532 3.8325 PRESSURE: 1503200 69.5822 132.521 -2.78037 132.519 -196.169 143.945 -2.78133 143.946 41.3976 GPRESSURE: 1503200 107.293 72.0609 -29.3617 86.9387 -146.842 131.697 52.8999 135.473 58.1863 PRESSAVG: 1503200 -12.4938 0.301287 -12.0717 0.30124 -5.23245 42.2394 -12.0718 42.2394 30.507 GPRESSAVG: 1503200 -13.4633 0.639333 -11.8704 0.498599 -3.42166 39.0791 -13.7266 43.5115 30.0741 TIMING: 1503200 CPU: 4527.56, 0.00303001/step Wall: 4527.56, 0.00303001/step, 2.94315 hours remaining, 209.296875 MB of memory in use. ENERGY: 1503200 749.1249 2133.0848 1954.8898 128.7567 -206175.1636 17742.3598 0.0000 0.0000 34316.1342 -149150.8134 299.6913 -183466.9476 -149051.8682 299.5356 -28.3963 6.2122 555722.7394 4.2603 4.3964 PRESSURE: 1503400 -33.4312 45.7903 -77.1001 45.7904 145.679 25.3683 -77.101 25.3677 84.2077 GPRESSURE: 1503400 -8.51237 18.0483 -72.8886 145.627 181.954 -25.7706 -109.019 42.0002 119.965 PRESSAVG: 1503400 -13.7601 5.77857 -50.7612 5.77856 -39.8695 19.9373 -50.7612 19.9374 -18.4749 GPRESSAVG: 1503400 -11.9841 5.97807 -49.92 6.81716 -40.7521 21.7169 -50.4047 19.3644 -19.4889 TIMING: 1503400 CPU: 4528.17, 0.00305163/step Wall: 4528.17, 0.00305163/step, 2.96398 hours remaining, 209.296875 MB of memory in use. ENERGY: 1503400 755.1933 2124.1268 1929.8179 112.2318 -206276.3526 17875.9444 0.0000 0.0000 34158.1201 -149320.9183 298.3114 -183479.0384 -149231.9255 299.1580 65.4850 97.8023 557266.8472 -24.0348 -24.0750 PRESSURE: 1503600 -0.100797 -39.9382 -96.0719 -39.9381 15.2366 46.2512 -96.0718 46.2494 26.2737 GPRESSURE: 1503600 65.1749 1.70543 -123.661 -119.721 43.3936 46.8804 -48.4031 67.8948 33.1415 PRESSAVG: 1503600 6.85088 -44.6985 -72.6103 -44.6986 -54.1431 23.423 -72.6105 23.423 15.1367 GPRESSAVG: 1503600 5.84934 -45.8095 -73.699 -47.0481 -54.3785 22.6945 -71.7805 24.0064 16.0033 TIMING: 1503600 CPU: 4528.77, 0.00302466/step Wall: 4528.77, 0.00302466/step, 2.93762 hours remaining, 209.296875 MB of memory in use. ENERGY: 1503600 727.4017 2082.3688 1959.8982 114.1829 -205874.6279 17636.2134 0.0000 0.0000 34156.0824 -149198.4805 298.2936 -183354.5629 -149095.4633 299.0125 13.8032 47.2367 557119.7890 -10.7185 -10.8419 PRESSURE: 1503800 -140.434 47.8057 -52.4186 47.8062 41.971 63.1376 -52.4184 63.138 -1.99962 GPRESSURE: 1503800 -155.392 197.103 -8.05777 -21.3366 117.321 146.455 -115.902 28.4101 33.9658 PRESSAVG: 1503800 61.8953 -14.8389 -29.168 -14.8388 -22.1485 -13.5553 -29.1681 -13.5554 -53.4462 GPRESSAVG: 1503800 61.9994 -14.183 -27.7124 -14.0874 -21.4187 -11.6586 -29.5835 -15.1406 -54.6579 TIMING: 1503800 CPU: 4529.38, 0.00301754/step Wall: 4529.38, 0.00301754/step, 2.93053 hours remaining, 209.296875 MB of memory in use. ENERGY: 1503800 739.8259 2049.7641 1927.7721 123.0435 -206356.2854 17859.2922 0.0000 0.0000 34450.6364 -149205.9512 300.8660 -183656.5876 -149105.0916 299.4352 -33.4874 -1.3686 555725.7650 -4.5664 -4.6924 PRESSURE: 1504000 -247.947 17.1332 -5.11092 17.1334 -269.419 19.0229 -5.11199 19.0221 145.609 GPRESSURE: 1504000 -196.968 71.0386 69.9775 6.1939 -270.919 -51.9567 -20.971 128.099 172.077 PRESSAVG: 1504000 35.0882 -23.6507 -10.0643 -23.6507 -21.0384 44.2965 -10.0643 44.2965 -24.2894 GPRESSAVG: 1504000 35.6622 -23.8205 -9.63366 -23.92 -22.8794 44.9547 -11.5988 45.4905 -23.1463 TIMING: 1504000 CPU: 4529.98, 0.0030324/step Wall: 4529.98, 0.0030324/step, 2.9448 hours remaining, 209.296875 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: 1504000 758.4170 2098.6239 1911.2626 119.8418 -206104.5927 17584.2037 0.0000 0.0000 34207.0062 -149425.2374 298.7383 -183632.2437 -149331.1020 299.0364 -123.9190 -98.6033 556957.5216 -3.4132 -3.4545 PRESSURE: 1504200 -43.1845 -93.8119 47.8436 -93.8106 21.4079 68.8742 47.8432 68.8718 -70.7256 GPRESSURE: 1504200 25.8159 -143.345 70.7967 -131.65 22.362 126.472 -43.9147 5.87565 -47.2312 PRESSAVG: 1504200 -0.656588 -24.279 52.6153 -24.2789 -62.7031 4.39767 52.6153 4.39763 78.7058 GPRESSAVG: 1504200 -0.648197 -23.7362 52.9224 -23.328 -62.5849 4.66116 53.1157 4.4527 78.1159 TIMING: 1504200 CPU: 4530.59, 0.00303806/step Wall: 4530.59, 0.00303806/step, 2.95013 hours remaining, 209.296875 MB of memory in use. ENERGY: 1504200 745.5079 2073.7610 1910.1185 108.4037 -206270.4299 17734.5096 0.0000 0.0000 34169.3899 -149528.7393 298.4098 -183698.1292 -149433.9885 297.9577 -30.8341 0.3156 555685.1599 5.1154 4.9609 LDB: ============= START OF LOAD BALANCING ============== 4534.11 LDB: ============== END OF LOAD BALANCING =============== 4534.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4534.11 LDB: ============= START OF LOAD BALANCING ============== 4534.41 LDB: Largest compute 4800 load 0.032226 is 27.3% of average load 0.117870 LDB: Average compute 0.001731 is 1.5% of average load 0.117870 LDB: TIME 4534.41 LOAD: AVG 0.11787 MAX 0.214741 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.219 MB LDB: TIME 4534.41 LOAD: AVG 0.11787 MAX 0.214741 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.285 MB LDB: TIME 4534.41 LOAD: AVG 0.11787 MAX 0.214741 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.285 MB LDB: ============== END OF LOAD BALANCING =============== 4534.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4534.42 PRESSURE: 1504400 60.6767 95.8476 108.795 95.8471 66.7167 75.8834 108.794 75.8836 -120.207 GPRESSURE: 1504400 59.1951 121.081 106.271 58.5868 103.596 57.1637 43.1068 30.1359 -56.6668 PRESSAVG: 1504400 17.3911 83.8724 15.9146 83.8725 4.25853 -30.0732 15.9145 -30.0733 -21.0763 GPRESSAVG: 1504400 16.5258 85.6054 15.0964 84.0096 4.23902 -32.9728 17.7094 -28.5422 -20.238 TIMING: 1504400 CPU: 4531.2, 0.00306106/step Wall: 4531.2, 0.00306106/step, 2.97229 hours remaining, 207.062500 MB of memory in use. ENERGY: 1504400 744.5960 2088.1337 1933.7379 128.4449 -206346.5719 17800.2710 0.0000 0.0000 34200.6703 -149450.7182 298.6830 -183651.3885 -149357.0276 298.9380 2.3955 35.3747 555790.2227 0.1911 0.1756 PRESSURE: 1504600 14.1926 -93.8471 -35.1648 -93.8474 215.303 -9.49354 -35.166 -9.49501 156.579 GPRESSURE: 1504600 45.0731 -109.6 -28.569 -55.3783 260.831 -66.361 -124.44 1.63918 165.279 PRESSAVG: 1504600 7.30886 10.1735 8.09284 10.1735 16.1074 -6.01049 8.09277 -6.01053 -24.7171 GPRESSAVG: 1504600 6.76044 9.65238 7.19401 7.73868 17.4559 -3.24494 7.59508 -6.90616 -26.3992 TIMING: 1504600 CPU: 4531.8, 0.00300185/step Wall: 4531.8, 0.00300185/step, 2.91463 hours remaining, 207.265625 MB of memory in use. ENERGY: 1504600 741.1963 2144.2547 1936.2953 107.5259 -206443.4869 17895.5173 0.0000 0.0000 34090.2124 -149528.4850 297.7183 -183618.6974 -149432.0321 299.0510 128.6913 157.0611 555971.8654 -0.4336 -0.7276 PRESSURE: 1504800 280.527 -77.112 -60.0908 -77.1115 -197.993 -76.1246 -60.0892 -76.1221 99.8363 GPRESSURE: 1504800 313.767 -76.9433 20.2824 -139.009 -118.299 -105.644 -125.447 -26.809 93.9119 PRESSAVG: 1504800 61.2601 -66.0449 14.6072 -66.045 -42.6144 18.3574 14.6073 18.3573 0.614731 GPRESSAVG: 1504800 61.3315 -68.0615 15.53 -64.9602 -44.8111 18.6337 14.1099 18.914 2.43863 TIMING: 1504800 CPU: 4532.41, 0.00301358/step Wall: 4532.41, 0.00301358/step, 2.92585 hours remaining, 207.265625 MB of memory in use. ENERGY: 1504800 757.1901 2064.1332 1914.4849 99.8197 -206515.6218 17855.6156 0.0000 0.0000 34351.1488 -149473.2296 299.9971 -183824.3784 -149382.5518 297.7580 60.7901 96.4602 556595.1992 6.4201 6.3197 PRESSURE: 1505000 160.929 -56.2132 -120.845 -56.2133 39.3529 148.464 -120.844 148.463 -22.5579 GPRESSURE: 1505000 198.511 -42.0731 -71.6345 -124.009 89.84 144.164 -148.159 156.818 -24.7607 PRESSAVG: 1505000 19.6518 39.2407 34.4531 39.2407 -24.58 -15.2576 34.4532 -15.2576 -9.26122 GPRESSAVG: 1505000 20.4999 39.6186 32.6212 41.9835 -23.7953 -16.1961 36.0026 -14.7669 -10.7605 TIMING: 1505000 CPU: 4533.01, 0.00302279/step Wall: 4533.01, 0.00302279/step, 2.93462 hours remaining, 207.390625 MB of memory in use. ENERGY: 1505000 763.2884 2110.2050 1936.2882 121.0408 -206506.6242 17992.1573 0.0000 0.0000 34309.5383 -149274.1062 299.6337 -183583.6445 -149177.7467 298.6717 59.2413 87.8634 557809.9831 -4.7298 -4.6853 PRESSURE: 1505200 -97.5379 -40.8688 118.159 -40.8687 -33.7726 122.201 118.158 122.201 -58.1635 GPRESSURE: 1505200 -46.5327 -3.89141 68.8666 -92.8486 -61.8187 131.632 159.928 115.682 16.8821 PRESSAVG: 1505200 -33.9598 -33.3852 12.9548 -33.3851 -19.4783 8.84784 12.9547 8.84783 55.4778 GPRESSAVG: 1505200 -33.6861 -34.5558 14.9455 -34.3449 -20.6565 9.14162 12.2325 8.74131 56.6941 TIMING: 1505200 CPU: 4533.62, 0.00301989/step Wall: 4533.62, 0.00301989/step, 2.93164 hours remaining, 207.390625 MB of memory in use. ENERGY: 1505200 741.3033 2095.1578 1926.6128 115.6631 -206527.0271 18035.6159 0.0000 0.0000 34226.7923 -149385.8818 298.9111 -183612.6741 -149286.4245 299.5075 -63.1580 -30.4898 556949.3052 0.6799 0.7838 PRESSURE: 1505400 -48.8421 55.8129 123.611 55.8117 -147.355 49.5861 123.611 49.5837 -220.206 GPRESSURE: 1505400 -14.6037 -39.4764 224.13 76.8777 -94.0355 96.9456 48.0151 63.9625 -206.226 PRESSAVG: 1505400 -47.7588 -15.38 54.429 -15.3798 4.93174 65.483 54.429 65.4831 39.707 GPRESSAVG: 1505400 -48.0033 -14.4469 55.7668 -15.4154 5.26102 65.4613 54.5615 66.4514 39.3041 TIMING: 1505400 CPU: 4534.22, 0.00302189/step Wall: 4534.22, 0.00302189/step, 2.93342 hours remaining, 207.390625 MB of memory in use. ENERGY: 1505400 767.7118 2075.8641 1921.5121 113.4380 -206404.2442 17723.7534 0.0000 0.0000 34385.9060 -149416.0588 300.3007 -183801.9647 -149312.6206 298.9298 -138.8010 -104.9551 556438.3621 -1.0400 -1.1460 PRESSURE: 1505600 -99.1146 20.2491 208.942 20.2503 -63.2715 -10.7966 208.942 -10.7972 -169.759 GPRESSURE: 1505600 -122.854 -5.50935 217.15 111.531 -46.0931 5.61831 168.858 -44.2333 -72.9508 PRESSAVG: 1505600 53.9401 -25.3034 52.176 -25.3033 0.667574 -24.7635 52.176 -24.7635 17.7963 GPRESSAVG: 1505600 54.137 -25.4778 53.4775 -25.4446 -0.0493824 -25.2198 50.2387 -26.5236 18.6314 TIMING: 1505600 CPU: 4534.82, 0.00302132/step Wall: 4534.82, 0.00302132/step, 2.93269 hours remaining, 207.390625 MB of memory in use. ENERGY: 1505600 729.6110 2072.8166 1944.9514 115.8621 -206018.2295 17695.7810 0.0000 0.0000 34175.2374 -149283.9700 298.4608 -183459.2074 -149185.3881 298.4989 -110.7152 -80.6327 558795.4625 24.1347 24.2397 PRESSURE: 1505800 305.94 -85.6108 106.634 -85.6101 235.717 -144.513 106.633 -144.514 281.098 GPRESSURE: 1505800 350.382 -50.8419 109.56 -6.22347 265.341 -149.146 152.68 -139.749 306.52 PRESSAVG: 1505800 -50.7052 -59.4101 65.7923 -59.4101 29.1408 0.0396302 65.7922 0.0395185 55.8666 GPRESSAVG: 1505800 -50.9242 -59.8999 60.5753 -60.3559 29.9822 1.20934 69.7009 -1.28142 56.0913 TIMING: 1505800 CPU: 4535.43, 0.00303789/step Wall: 4535.43, 0.00303789/step, 2.94861 hours remaining, 207.390625 MB of memory in use. ENERGY: 1505800 756.4627 2148.9230 1936.9464 129.9371 -206769.4759 18390.5830 0.0000 0.0000 34290.4379 -149116.1858 299.4669 -183406.6237 -149018.8773 299.7765 274.2517 307.4144 556909.6998 11.4341 11.7165 PRESSURE: 1506000 -54.744 -243.466 41.5079 -243.467 91.8733 240.769 41.5067 240.768 -131.318 GPRESSURE: 1506000 -12.4217 -186.519 69.5856 -217.42 152.862 352.197 17.9964 192.318 -135.542 PRESSAVG: 1506000 -7.08037 -79.0672 50.7321 -79.0672 -22.9934 3.11401 50.7322 3.11403 20.7299 GPRESSAVG: 1506000 -7.20572 -79.1718 50.7147 -79.5033 -22.6201 3.36409 48.4118 4.3382 19.9504 TIMING: 1506000 CPU: 4536.04, 0.00305664/step Wall: 4536.04, 0.00305664/step, 2.96664 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: 1506000 745.9782 2109.1183 1928.0045 109.8664 -205840.5812 17621.0850 0.0000 0.0000 34331.6922 -148994.8366 299.8272 -183326.5288 -148895.3486 300.3863 -31.3963 1.6326 558390.6284 -3.1146 -3.2918 PRESSURE: 1506200 -28.2588 79.306 271.008 79.3048 -7.31061 156.439 271.007 156.441 -154.379 GPRESSURE: 1506200 8.98699 23.4707 127.396 112.522 -25.0443 146.191 298.986 91.5815 -80.4381 PRESSAVG: 1506200 19.9501 20.2796 22.5232 20.2795 15.4023 62.5806 22.5231 62.5805 -23.7992 GPRESSAVG: 1506200 19.8143 20.9283 22.9125 21.1577 15.077 62.0164 23.9755 64.1102 -23.7205 TIMING: 1506200 CPU: 4536.66, 0.00307319/step Wall: 4536.66, 0.00307319/step, 2.98253 hours remaining, 207.390625 MB of memory in use. ENERGY: 1506200 751.4460 2164.3978 1933.1826 115.2346 -206320.2709 17964.2974 0.0000 0.0000 34266.3833 -149125.3292 299.2568 -183391.7125 -149031.5162 299.3197 -63.3163 -32.1651 558720.3918 3.8511 3.7236 PRESSURE: 1506400 -114.301 91.6244 19.7906 91.6226 -290.257 -183.414 19.7919 -183.414 -22.8095 GPRESSURE: 1506400 -85.7506 77.0266 77.8193 71.3168 -248.008 -139.933 -6.7508 -212.848 11.4139 PRESSAVG: 1506400 36.5342 40.1528 60.7434 40.1529 -2.80283 39.9545 60.7434 39.9547 -32.4186 GPRESSAVG: 1506400 34.8617 40.7728 61.2711 38.4259 -1.83602 39.6416 60.3845 38.0678 -31.8461 TIMING: 1506400 CPU: 4537.27, 0.00304556/step Wall: 4537.27, 0.00304556/step, 2.95554 hours remaining, 207.390625 MB of memory in use. ENERGY: 1506400 779.4952 2110.5165 1940.0358 138.1155 -206148.5901 17754.9227 0.0000 0.0000 34395.9627 -149029.5417 300.3885 -183425.5044 -148933.4873 299.6867 -142.4557 -107.4481 559045.3183 0.4376 0.3932 PRESSURE: 1506600 -390.867 50.6577 -206.883 50.6583 45.9078 -15.0122 -206.884 -15.0139 -244.188 GPRESSURE: 1506600 -270.513 34.4992 -151.894 108.163 2.51943 -85.1737 -176.316 -38.4198 -242.163 PRESSAVG: 1506600 -33.5015 48.2283 -6.5271 48.2283 11.1419 -20.9541 -6.52707 -20.9542 12.6218 GPRESSAVG: 1506600 -33.1365 48.3715 -7.95195 50.2352 10.6784 -21.7155 -6.25728 -19.5869 13.091 TIMING: 1506600 CPU: 4537.87, 0.00302185/step Wall: 4537.87, 0.00302185/step, 2.93237 hours remaining, 207.390625 MB of memory in use. ENERGY: 1506600 757.6798 2080.9941 1932.1283 109.7311 -205884.6418 17480.0404 0.0000 0.0000 34409.0783 -149114.9899 300.5030 -183524.0682 -149025.0999 300.1754 -196.3827 -170.0523 557180.7187 -3.2459 -3.1223 PRESSURE: 1506800 154.464 51.7368 -16.3792 51.7369 -129.747 15.9232 -16.3807 15.9231 -204.859 GPRESSURE: 1506800 129.627 2.179 -23.5496 -1.08228 -53.455 62.1195 -4.4361 -42.3638 -161.319 PRESSAVG: 1506800 44.6702 27.8494 7.24962 27.8495 -33.2612 -26.7866 7.24961 -26.7866 2.54656 GPRESSAVG: 1506800 45.4352 27.3678 8.90984 27.1833 -33.9205 -27.6689 4.99035 -26.0779 2.83234 TIMING: 1506800 CPU: 4538.48, 0.00302607/step Wall: 4538.48, 0.00302607/step, 2.9363 hours remaining, 207.390625 MB of memory in use. ENERGY: 1506800 736.6016 2132.8961 1931.3521 107.7174 -205869.8997 17600.9727 0.0000 0.0000 34106.9707 -149253.3891 297.8647 -183360.3598 -149153.4806 299.1175 -60.0474 -28.3822 556191.8770 4.6518 4.7824 PRESSURE: 1507000 25.1005 89.5855 -224.542 89.5859 158.145 50.5483 -224.543 50.548 42.383 GPRESSURE: 1507000 48.6892 46.2622 -250.923 67.3305 164.655 43.0911 -199.069 90.1015 107.926 PRESSAVG: 1507000 20.0975 17.8277 -111.459 17.8277 22.3155 30.01 -111.46 30.01 -53.5636 GPRESSAVG: 1507000 20.2134 17.6243 -112.271 16.847 22.8825 33.3543 -107.532 28.3247 -54.5864 TIMING: 1507000 CPU: 4539.09, 0.00304548/step Wall: 4539.09, 0.00304548/step, 2.95496 hours remaining, 207.390625 MB of memory in use. ENERGY: 1507000 744.3845 2117.6357 1919.7453 121.2230 -206409.0204 18039.2063 0.0000 0.0000 34188.1197 -149278.7059 298.5734 -183466.8256 -149185.1121 299.5447 75.2095 107.0901 557532.1381 -3.7169 -3.8302 PRESSURE: 1507200 175.17 -104.719 -309.127 -104.72 -91.1879 29.9352 -309.126 29.9358 128.526 GPRESSURE: 1507200 181.102 -16.5165 -272.99 -121.702 -44.1317 54.3597 -253.524 84.1057 163.369 PRESSAVG: 1507200 -76.3029 -41.6431 -68.2818 -41.6432 62.0017 14.7876 -68.2818 14.7877 33.5742 GPRESSAVG: 1507200 -76.3109 -40.9081 -67.9112 -40.949 61.5424 14.7458 -71.495 15.0337 33.563 TIMING: 1507200 CPU: 4539.7, 0.00305308/step Wall: 4539.7, 0.00305308/step, 2.96217 hours remaining, 207.390625 MB of memory in use. ENERGY: 1507200 759.8555 2083.6632 1971.1816 96.6493 -205890.6826 17667.7369 0.0000 0.0000 34081.5729 -149230.0231 297.6429 -183311.5960 -149138.5130 299.4670 70.8360 100.1131 557075.3318 6.4243 6.2648 PRESSURE: 1507400 199.404 -64.2352 121.663 -64.2358 217.85 84.6597 121.663 84.6586 135.924 GPRESSURE: 1507400 187.563 6.24704 157.851 65.2742 235.33 85.9704 55.6308 38.5985 230.373 PRESSAVG: 1507400 2.47685 -31.4398 62.8757 -31.4398 -30.0879 2.71738 62.8758 2.71737 33.7053 GPRESSAVG: 1507400 2.18197 -30.9933 62.3422 -30.2864 -30.0929 1.31901 64.329 2.2009 33.4083 TIMING: 1507400 CPU: 4540.3, 0.00303061/step Wall: 4540.3, 0.00303061/step, 2.94019 hours remaining, 207.390625 MB of memory in use. ENERGY: 1507400 715.3080 2061.7520 1920.4157 98.7440 -206704.9899 18031.1690 0.0000 0.0000 34555.9815 -149321.6196 301.7860 -183877.6011 -149229.6176 299.4646 184.3924 217.7553 554738.9706 2.0314 1.8324 PRESSURE: 1507600 -305.538 -68.9966 157.764 -68.9975 -104.308 40.755 157.765 40.7561 -244.222 GPRESSURE: 1507600 -314.024 -53.0826 180.063 -110.121 -54.51 21.0283 112.694 73.9408 -179.151 PRESSAVG: 1507600 20.8825 -37.9502 28.0266 -37.9503 -35.8563 40.9809 28.0267 40.981 12.8358 GPRESSAVG: 1507600 20.8492 -37.3958 29.0978 -38.9979 -36.0348 40.8838 28.7212 40.4766 12.6302 TIMING: 1507600 CPU: 4540.91, 0.00301657/step Wall: 4540.91, 0.00301657/step, 2.92641 hours remaining, 207.390625 MB of memory in use. ENERGY: 1507600 720.6230 2130.4659 1942.3965 110.5665 -205998.5648 17493.7991 0.0000 0.0000 34306.8406 -149293.8732 299.6102 -183600.7138 -149187.8527 299.2299 -218.0228 -182.5616 558813.6686 -0.7127 -0.8518 PRESSURE: 1507800 -58.2458 39.0972 164.521 39.0975 117.214 -176.471 164.521 -176.472 -102.758 GPRESSURE: 1507800 -78.5642 15.8967 173.022 40.8843 188.227 -186.463 112.379 -75.395 -67.6349 PRESSAVG: 1507800 37.9161 -20.2532 33.0286 -20.2531 21.2717 -13.0647 33.0287 -13.0647 -21.9249 GPRESSAVG: 1507800 38.0838 -20.479 32.8568 -20.4668 21.3987 -12.8773 29.2513 -12.8731 -22.8309 TIMING: 1507800 CPU: 4541.51, 0.00302993/step Wall: 4541.51, 0.00302993/step, 2.9392 hours remaining, 207.593750 MB of memory in use. ENERGY: 1507800 740.3357 2094.2506 1928.8473 107.4309 -206509.5723 17986.0773 0.0000 0.0000 34359.1821 -149293.4483 300.0673 -183652.6305 -149202.7209 299.0867 -14.5967 14.0094 558947.7417 12.4210 12.2172 PRESSURE: 1508000 218.517 128.795 -117.437 128.795 22.9237 -82.2508 -117.436 -82.2498 -7.73857 GPRESSURE: 1508000 227.704 151.606 -79.5632 74.0846 77.057 -57.5701 -67.0686 -65.1779 26.1479 PRESSAVG: 1508000 17.9968 -23.3307 -13.2542 -23.3306 -39.3721 -71.042 -13.2541 -71.0422 51.3495 GPRESSAVG: 1508000 18.0326 -23.4452 -11.6624 -24.7571 -38.8175 -70.8337 -11.0115 -70.3038 50.7902 TIMING: 1508000 CPU: 4542.12, 0.00303051/step Wall: 4542.12, 0.00303051/step, 2.9396 hours remaining, 207.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1508000 753.9364 2034.9624 1922.0313 129.9317 -206905.3819 18227.0529 0.0000 0.0000 34433.4519 -149404.0152 300.7159 -183837.4672 -149301.9506 299.3464 77.9006 110.3031 558580.4959 9.9914 10.0017 PRESSURE: 1508200 -209.589 -88.6398 9.19199 -88.6392 -257.116 184.126 9.19244 184.128 54.9175 GPRESSURE: 1508200 -178.407 -111.826 -40.7121 -87.206 -186.938 142.532 -38.1342 180.059 54.9519 PRESSAVG: 1508200 27.4838 -7.02385 -47.443 -7.02385 -46.4298 44.1996 -47.443 44.1997 -48.6372 GPRESSAVG: 1508200 27.5149 -6.73217 -50.2691 -5.74433 -46.8768 42.496 -45.655 44.6005 -47.5494 TIMING: 1508200 CPU: 4542.72, 0.00300688/step Wall: 4542.72, 0.00300688/step, 2.91651 hours remaining, 207.593750 MB of memory in use. ENERGY: 1508200 732.1685 2120.4000 1921.7849 95.7464 -206002.6339 17513.3275 0.0000 0.0000 34165.1064 -149454.1002 298.3724 -183619.2066 -149361.4268 299.1587 -137.2628 -103.4641 558690.1967 -22.5278 -22.3038 LDB: ============= START OF LOAD BALANCING ============== 4546.24 LDB: ============== END OF LOAD BALANCING =============== 4546.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4546.24 LDB: ============= START OF LOAD BALANCING ============== 4546.54 LDB: Largest compute 4800 load 0.031229 is 26.5% of average load 0.117776 LDB: Average compute 0.001735 is 1.5% of average load 0.117776 LDB: TIME 4546.54 LOAD: AVG 0.117776 MAX 0.217997 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.836 MB LDB: TIME 4546.54 LOAD: AVG 0.117776 MAX 0.217997 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.836 MB LDB: TIME 4546.54 LOAD: AVG 0.117776 MAX 0.217997 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.836 MB LDB: ============== END OF LOAD BALANCING =============== 4546.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4546.54 PRESSURE: 1508400 -10.2199 120.319 204.01 120.318 -125.588 -38.4073 204.011 -38.4075 172.867 GPRESSURE: 1508400 40.9087 190.79 192.518 116.677 -146.848 -62.2948 194.023 -15.6188 221.689 PRESSAVG: 1508400 2.57797 41.0178 -1.31457 41.0177 -89.21 16.3793 -1.31456 16.3793 62.6921 GPRESSAVG: 1508400 3.34884 40.4006 -1.29907 39.3908 -90.2225 17.9254 -3.23306 15.5859 63.1715 TIMING: 1508400 CPU: 4543.33, 0.00304438/step Wall: 4543.33, 0.00304438/step, 2.95271 hours remaining, 208.445312 MB of memory in use. ENERGY: 1508400 751.0337 2082.5628 1928.8841 119.2044 -206511.5202 17945.9216 0.0000 0.0000 34285.5301 -149398.3835 299.4241 -183683.9136 -149304.9288 299.1453 12.3530 38.5834 557499.3228 -7.9800 -7.9007 PRESSURE: 1508600 -306.88 -142.391 -250.197 -142.39 -76.5288 256.44 -250.197 256.441 -86.7919 GPRESSURE: 1508600 -256.466 -22.0886 -203.065 -236.304 -48.4846 232.958 -182.22 256.589 -62.761 PRESSAVG: 1508600 -33.3237 19.1778 11.3456 19.1778 -22.398 44.7809 11.3455 44.7808 31.9681 GPRESSAVG: 1508600 -33.9803 18.8891 13.1696 20.6586 -22.131 44.4891 11.3034 43.7983 31.95 TIMING: 1508600 CPU: 4543.93, 0.0029918/step Wall: 4543.93, 0.0029918/step, 2.90155 hours remaining, 208.648438 MB of memory in use. ENERGY: 1508600 758.3587 2042.5301 1946.8707 115.7953 -206137.4649 17673.5838 0.0000 0.0000 34146.1638 -149454.1625 298.2069 -183600.3263 -149358.1560 298.6946 -156.7335 -122.5705 556117.1896 -7.9178 -8.0538 PRESSURE: 1508800 -83.1852 -55.8441 48.2106 -55.8428 297.117 132.199 48.2105 132.201 80.9008 GPRESSURE: 1508800 -58.2692 -12.6528 -39.5383 -39.493 326.57 96.1091 151.914 65.1047 125.739 PRESSAVG: 1508800 -35.2076 3.69546 -0.888671 3.6954 35.0602 62.9699 -0.888624 62.9699 17.4101 GPRESSAVG: 1508800 -35.2366 2.43915 -1.34341 4.15272 35.7085 65.0956 -2.21264 62.5124 16.6823 TIMING: 1508800 CPU: 4544.53, 0.00300943/step Wall: 4544.53, 0.00300943/step, 2.91848 hours remaining, 208.648438 MB of memory in use. ENERGY: 1508800 736.3185 2082.4235 1957.7886 108.4081 -206663.3120 18085.8089 0.0000 0.0000 34372.1838 -149320.3806 300.1808 -183692.5644 -149219.8693 299.2796 98.2776 131.3463 557578.5571 5.7542 5.7181 PRESSURE: 1509000 -97.5318 -30.0865 -71.6536 -30.086 174.311 96.3264 -71.6521 96.3256 117.523 GPRESSURE: 1509000 -125.626 29.7184 -151.032 -27.4982 209.66 142.518 -28.0649 94.2812 188.643 PRESSAVG: 1509000 8.56273 -36.9059 -18.3166 -36.9059 2.21428 53.2345 -18.3166 53.2347 17.5273 GPRESSAVG: 1509000 7.98295 -36.081 -19.0204 -37.1607 2.47843 51.143 -16.1303 55.1961 17.8966 TIMING: 1509000 CPU: 4545.13, 0.00299424/step Wall: 4545.13, 0.00299424/step, 2.90358 hours remaining, 208.648438 MB of memory in use. ENERGY: 1509000 722.9818 2072.2577 1913.2566 113.4285 -206187.8219 17875.0758 0.0000 0.0000 34193.2353 -149297.5862 298.6180 -183490.8215 -149207.3741 299.1150 64.7675 90.8923 557503.0383 9.4348 9.4527 PRESSURE: 1509200 140.104 43.4332 -143.622 43.4325 20.1543 237.688 -143.623 237.69 113.685 GPRESSURE: 1509200 199.82 0.399497 -39.5375 38.2139 54.631 272.296 -246.875 266.799 113.198 PRESSAVG: 1509200 -9.57679 8.62142 1.36667 8.62137 -12.4298 84.3024 1.36673 84.3024 22.9975 GPRESSAVG: 1509200 -8.75424 9.05643 2.32289 7.40021 -13.5312 85.2779 0.264638 82.9813 22.8116 TIMING: 1509200 CPU: 4545.72, 0.00298568/step Wall: 4545.72, 0.00298568/step, 2.89512 hours remaining, 208.648438 MB of memory in use. ENERGY: 1509200 700.6195 2115.9330 1961.5113 107.9702 -206395.6576 17862.0744 0.0000 0.0000 34309.9304 -149337.6189 299.6372 -183647.5493 -149242.4732 298.4296 91.3145 122.5497 557617.3433 0.3303 0.1754 PRESSURE: 1509400 -191.356 21.0399 -48.0289 21.0396 -196.63 -51.8042 -48.0272 -51.8032 -503.409 GPRESSURE: 1509400 -159.286 -20.6639 -97.4435 91.9735 -160.658 50.2872 -10.3529 -98.5142 -476.313 PRESSAVG: 1509400 -2.91408 52.7104 -20.1623 52.7104 10.6991 48.5742 -20.1623 48.5742 -90.0511 GPRESSAVG: 1509400 -3.9958 51.3537 -21.8389 55.5026 11.7389 47.998 -21.089 50.2051 -89.7704 TIMING: 1509400 CPU: 4546.32, 0.00300162/step Wall: 4546.32, 0.00300162/step, 2.9104 hours remaining, 208.648438 MB of memory in use. ENERGY: 1509400 769.2653 2042.8996 1928.2501 133.3620 -205933.5818 17509.6435 0.0000 0.0000 34027.2508 -149522.9105 297.1684 -183550.1612 -149420.2893 298.3078 -297.1319 -265.4191 558967.1026 -27.4220 -27.3424 PRESSURE: 1509600 74.9342 -45.8159 -62.3634 -45.8157 -240.369 -25.7305 -62.3627 -25.7293 244.514 GPRESSURE: 1509600 108.194 -87.9344 -65.87 -0.101408 -207.881 39.5464 -60.2354 -38.709 269.115 PRESSAVG: 1509600 -16.0155 -4.16866 6.32561 -4.16862 -19.9431 7.22973 6.32564 7.22974 32.2937 GPRESSAVG: 1509600 -15.1455 -4.3213 6.50786 -4.83651 -20.6769 7.93631 6.16401 6.25084 31.6659 TIMING: 1509600 CPU: 4546.93, 0.00300533/step Wall: 4546.93, 0.00300533/step, 2.91384 hours remaining, 208.648438 MB of memory in use. ENERGY: 1509600 738.0638 2069.8132 1920.2870 102.1449 -206391.8429 17935.6208 0.0000 0.0000 34154.5439 -149471.3693 298.2801 -183625.9133 -149381.4184 299.0852 26.3599 56.4759 557489.7209 -1.2216 -1.3855 PRESSURE: 1509800 249.66 33.3832 -246.023 33.384 -104.377 40.6991 -246.024 40.6995 119.912 GPRESSURE: 1509800 319.133 -20.4221 -324.444 112.452 -94.7316 23.8199 -227.914 13.4213 136.982 PRESSAVG: 1509800 53.5408 -4.55235 -21.7801 -4.55229 -12.0708 -18.1824 -21.7801 -18.1824 -48.91 GPRESSAVG: 1509800 54.2878 -6.00105 -19.6255 -5.00724 -12.3581 -20.2661 -22.4191 -16.34 -49.9027 TIMING: 1509800 CPU: 4547.53, 0.00301109/step Wall: 4547.53, 0.00301109/step, 2.91925 hours remaining, 208.648438 MB of memory in use. ENERGY: 1509800 699.7001 2176.4180 1921.7838 107.8723 -206455.4713 17844.6085 0.0000 0.0000 34322.7218 -149382.3669 299.7489 -183705.0886 -149285.8520 299.3028 88.3985 120.4611 556014.7981 -2.4800 -2.6577 PRESSURE: 1510000 7.61143 102.354 -205.066 102.353 20.9414 10.7072 -205.066 10.7072 290.371 GPRESSURE: 1510000 49.3863 164.873 -208.164 84.2499 101.768 26.6594 -142.901 -80.4905 274.821 PRESSAVG: 1510000 -15.6019 27.1006 -39.0465 27.1006 9.92919 -41.2217 -39.0465 -41.2216 27.847 GPRESSAVG: 1510000 -16.9154 29.6028 -41.6049 26.9984 9.62375 -38.6276 -38.3452 -43.2541 28.8837 TIMING: 1510000 CPU: 4548.13, 0.00300384/step Wall: 4548.13, 0.00300384/step, 2.91206 hours remaining, 208.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1510000 743.7477 2058.9188 1942.2531 121.2233 -206340.6914 17918.9275 0.0000 0.0000 34203.1260 -149352.4952 298.7044 -183555.6212 -149249.3665 299.1096 106.3078 141.9918 556836.1141 7.3914 7.1974 PRESSURE: 1510200 -251.537 33.7276 -1.88761 33.7278 -205.005 -120.947 -1.88754 -120.946 -26.6865 GPRESSURE: 1510200 -199.448 34.3518 71.1717 28.3751 -221.297 -46.0255 -66.2371 -69.8279 31.864 PRESSAVG: 1510200 -3.28839 25.9613 -56.4535 25.9613 -47.4889 56.4349 -56.4534 56.4349 30.5953 GPRESSAVG: 1510200 -1.40525 23.115 -56.765 25.8977 -48.3182 57.7371 -54.9921 57.6488 28.8694 TIMING: 1510200 CPU: 4548.73, 0.00299804/step Wall: 4548.73, 0.00299804/step, 2.90627 hours remaining, 208.714844 MB of memory in use. ENERGY: 1510200 753.0377 2050.6204 1921.3664 121.8801 -205764.6828 17392.6161 0.0000 0.0000 34257.9211 -149267.2409 299.1829 -183525.1620 -149176.6162 298.9969 -161.0763 -129.6272 557662.5968 -6.7273 -6.9514 PRESSURE: 1510400 -155.416 47.358 -5.23528 47.3584 76.7633 101.105 -5.23559 101.103 -87.1085 GPRESSURE: 1510400 -94.7008 -50.3378 84.093 11.7205 93.5752 144.369 -40.013 133.631 -62.5291 PRESSAVG: 1510400 -50.1839 -36.7087 -23.0617 -36.7086 -15.0282 -0.681105 -23.0617 -0.681053 57.9056 GPRESSAVG: 1510400 -51.9567 -33.6866 -21.0461 -38.7823 -14.7899 -4.04783 -25.0765 0.807741 59.6492 TIMING: 1510400 CPU: 4549.33, 0.00302613/step Wall: 4549.33, 0.00302613/step, 2.93333 hours remaining, 208.714844 MB of memory in use. ENERGY: 1510400 757.0822 2086.2348 1961.9934 123.7100 -206316.7084 17767.4236 0.0000 0.0000 34256.7587 -149363.5057 299.1728 -183620.2644 -149264.2036 299.0730 -55.2539 -21.2182 557134.9093 -2.4355 -2.3658 PRESSURE: 1510600 16.2912 -33.9166 11.9067 -33.9156 -58.6787 2.33838 11.9058 2.33925 -52.0379 GPRESSURE: 1510600 39.5637 19.6221 3.59518 37.9794 -21.4136 42.1373 -12.4949 -4.85472 -28.0177 PRESSAVG: 1510600 33.3011 23.0682 -51.67 23.0681 -70.1472 -50.3679 -51.6701 -50.3679 57.8371 GPRESSAVG: 1510600 32.6316 23.4873 -53.3167 24.0041 -69.2531 -50.3259 -50.858 -50.0549 56.8852 TIMING: 1510600 CPU: 4549.94, 0.00305352/step Wall: 4549.94, 0.00305352/step, 2.95971 hours remaining, 208.714844 MB of memory in use. ENERGY: 1510600 719.9487 2091.1001 1958.5047 120.2910 -206182.0479 17729.7125 0.0000 0.0000 34275.4510 -149287.0401 299.3360 -183562.4910 -149184.1738 299.6074 -31.4751 -3.2892 556155.1442 6.9970 6.7546 PRESSURE: 1510800 -39.8798 99.7744 -1.30945 99.7756 -207.417 84.8543 -1.30856 84.8542 106.498 GPRESSURE: 1510800 0.486071 29.9798 -5.1729 186.066 -150.17 57.6197 26.0611 110.625 98.8032 PRESSAVG: 1510800 -39.358 -45.9635 11.1154 -45.9634 -24.716 -3.49955 11.1153 -3.4995 82.3038 GPRESSAVG: 1510800 -39.423 -46.3587 11.8364 -44.6426 -24.8657 -3.06886 11.52 -5.38809 82.3915 TIMING: 1510800 CPU: 4550.56, 0.00307994/step Wall: 4550.56, 0.00307994/step, 2.98515 hours remaining, 208.714844 MB of memory in use. ENERGY: 1510800 795.3874 2110.3684 1944.5842 118.0090 -206374.0928 17814.5014 0.0000 0.0000 34301.3873 -149289.8550 299.5625 -183591.2423 -149193.9669 299.5669 -46.9330 -16.9601 557173.6851 6.0766 6.0343 PRESSURE: 1511000 -64.862 26.3869 100.505 26.3879 221.273 -120.692 100.505 -120.693 78.3718 GPRESSURE: 1511000 -34.4122 14.6119 71.0529 11.093 263.334 -119.639 97.1457 -161.939 117.252 PRESSAVG: 1511000 -62.4071 58.502 -35.7891 58.5021 -10.7669 -61.0787 -35.7891 -61.0786 50.132 GPRESSAVG: 1511000 -63.6919 58.4195 -33.3273 57.8481 -10.6295 -61.6683 -36.8831 -60.7678 51.1341 TIMING: 1511000 CPU: 4551.17, 0.0030603/step Wall: 4551.17, 0.0030603/step, 2.96594 hours remaining, 208.714844 MB of memory in use. ENERGY: 1511000 712.1933 2161.2030 1956.2165 115.7411 -206866.4214 18099.0255 0.0000 0.0000 34496.0609 -149325.9811 301.2627 -183822.0420 -149220.2828 299.8638 78.2609 115.3914 557336.4371 -7.6807 -7.7291 PRESSURE: 1511200 -231.004 41.1429 -73.5992 41.1427 218.881 84.2851 -73.6003 84.2846 -465.847 GPRESSURE: 1511200 -187.659 -8.74286 -122.089 52.9982 228.774 115.782 -41.5442 126.961 -425.38 PRESSAVG: 1511200 -3.50768 1.78034 -3.55308 1.78036 -7.83366 0.367325 -3.55309 0.367358 -34.626 GPRESSAVG: 1511200 -1.71339 1.44514 -7.35489 0.314193 -8.1989 0.88618 -1.73818 0.248575 -35.3325 TIMING: 1511200 CPU: 4551.78, 0.00302548/step Wall: 4551.78, 0.00302548/step, 2.93203 hours remaining, 208.714844 MB of memory in use. ENERGY: 1511200 773.4974 2152.8456 1929.5037 110.9942 -206605.0830 17878.8227 0.0000 0.0000 34254.1025 -149505.3169 299.1496 -183759.4194 -149410.0995 299.3590 -159.3233 -128.0883 558820.1140 -15.3224 -15.0816 PRESSURE: 1511400 -103.696 -23.3373 80.557 -23.3382 63.3743 26.4138 80.5572 26.4138 107.505 GPRESSURE: 1511400 -100.764 -44.9805 6.52575 -24.3599 43.8442 73.7383 134.136 -151.546 202.345 PRESSAVG: 1511400 -30.6892 -48.6861 -14.0392 -48.6861 24.5012 -0.423406 -14.0391 -0.423362 0.849717 GPRESSAVG: 1511400 -31.3039 -49.9041 -13.4796 -46.4045 24.7518 1.23024 -13.069 -1.05847 0.860068 TIMING: 1511400 CPU: 4552.38, 0.00302526/step Wall: 4552.38, 0.00302526/step, 2.93164 hours remaining, 208.714844 MB of memory in use. ENERGY: 1511400 750.4642 2050.5151 1953.1820 112.3253 -206414.6426 17831.6864 0.0000 0.0000 34231.7136 -149484.7560 298.9541 -183716.4696 -149388.2700 298.5183 22.3945 48.4748 558128.3057 -1.7794 -1.8973 PRESSURE: 1511600 276.574 17.1615 14.2443 17.1612 -92.5994 169.302 14.2439 169.303 -77.7101 GPRESSURE: 1511600 343.934 17.9825 99.1166 -53.4541 -110.402 262.143 -28.8474 161.807 -24.7514 PRESSAVG: 1511600 -13.1193 -20.7002 -30.2622 -20.7002 -6.04844 6.00557 -30.2621 6.00569 41.0986 GPRESSAVG: 1511600 -13.2613 -17.6236 -28.7189 -21.538 -6.4781 7.41896 -32.3788 5.02762 41.2815 TIMING: 1511600 CPU: 4552.98, 0.00301021/step Wall: 4552.98, 0.00301021/step, 2.9169 hours remaining, 208.714844 MB of memory in use. ENERGY: 1511600 737.1917 2139.6329 1940.6489 109.8778 -206376.0794 18062.9929 0.0000 0.0000 34145.0202 -149240.7150 298.1970 -183385.7352 -149149.8359 298.7924 35.4216 69.5935 558418.2034 7.3103 7.1807 PRESSURE: 1511800 -99.4986 -180.566 -53.9744 -180.568 163.018 -136.736 -53.9753 -136.736 -49.3776 GPRESSURE: 1511800 -58.9533 -281.375 -95.5619 -129.299 235.189 -86.8805 18.0992 -97.9419 -59.2469 PRESSAVG: 1511800 71.3252 -58.7391 -8.50893 -58.7391 22.9601 0.917316 -8.50897 0.917385 -64.5668 GPRESSAVG: 1511800 70.9818 -59.2468 -9.07915 -58.1054 23.4493 -0.779873 -6.0611 2.60645 -64.3337 TIMING: 1511800 CPU: 4553.59, 0.00301518/step Wall: 4553.59, 0.00301518/step, 2.92154 hours remaining, 208.714844 MB of memory in use. ENERGY: 1511800 757.5383 2147.8292 1954.4682 118.6324 -206282.6083 17895.5520 0.0000 0.0000 33985.0499 -149423.5382 296.7999 -183408.5881 -149331.6539 298.7092 4.7140 38.9961 557554.8024 9.9061 10.0325 PRESSURE: 1512000 -157.953 3.32684 -37.6173 3.32545 -52.9039 -1.59416 -37.6171 -1.59215 -105.559 GPRESSURE: 1512000 -146.646 -93.045 6.63498 18.3904 -8.15298 63.9626 -117.372 -108.267 -58.9581 PRESSAVG: 1512000 -6.04264 -12.6472 -21.867 -12.6473 47.7837 13.9126 -21.867 13.9125 -66.748 GPRESSAVG: 1512000 -5.64089 -14.1148 -19.3438 -12.8269 46.7947 13.7783 -25.3834 13.7966 -66.0331 TIMING: 1512000 CPU: 4554.19, 0.00303298/step Wall: 4554.19, 0.00303298/step, 2.93862 hours remaining, 208.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1512000 792.7375 2045.2583 1960.5726 122.4088 -206405.5734 17820.9260 0.0000 0.0000 34150.6401 -149513.0299 298.2460 -183663.6701 -149407.4096 298.8507 -105.4719 -71.2525 558676.3649 -8.3356 -8.2931 PRESSURE: 1512200 248.932 -72.8202 -105.512 -72.8207 143.639 78.3855 -105.512 78.3856 158.486 GPRESSURE: 1512200 271.4 -86.7597 -39.6085 -73.0017 215.147 -35.1465 -75.9072 84.6036 152.592 PRESSAVG: 1512200 -40.2266 1.31204 -30.7985 1.31201 88.3126 -54.6357 -30.7985 -54.6356 -58.111 GPRESSAVG: 1512200 -40.6331 3.24249 -32.1863 2.17968 88.0354 -56.2861 -30.3751 -53.8709 -57.5771 TIMING: 1512200 CPU: 4554.8, 0.00301571/step Wall: 4554.8, 0.00301571/step, 2.92172 hours remaining, 208.714844 MB of memory in use. ENERGY: 1512200 751.9114 2070.2436 1940.9508 135.2420 -206505.6648 18067.2629 0.0000 0.0000 34305.7169 -149234.3372 299.6004 -183540.0541 -149140.3153 297.9265 183.6857 213.0463 555476.8800 -3.3416 -3.3916 LDB: ============= START OF LOAD BALANCING ============== 4558.31 LDB: ============== END OF LOAD BALANCING =============== 4558.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4558.32 LDB: ============= START OF LOAD BALANCING ============== 4558.61 LDB: Largest compute 4800 load 0.032376 is 27.5% of average load 0.117882 LDB: Average compute 0.001738 is 1.5% of average load 0.117882 LDB: TIME 4558.62 LOAD: AVG 0.117882 MAX 0.21399 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.938 MB LDB: TIME 4558.62 LOAD: AVG 0.117882 MAX 0.21399 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.141 MB LDB: TIME 4558.62 LOAD: AVG 0.117882 MAX 0.21399 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.141 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4558.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4558.62 PRESSURE: 1512400 -25.6299 87.0423 18.8546 87.0423 -256.821 -42.6107 18.8545 -42.6124 -64.4579 GPRESSURE: 1512400 -68.5442 176.858 18.893 68.5498 -141.237 20.9671 38.2981 -41.1504 -41.3967 PRESSAVG: 1512400 19.2823 -34.0884 -47.4306 -34.0885 61.2116 -1.71992 -47.4306 -1.72 -67.6578 GPRESSAVG: 1512400 19.3325 -36.6551 -48.1004 -35.2122 61.7693 -3.05735 -45.517 -0.124496 -68.4045 TIMING: 1512400 CPU: 4555.41, 0.00305106/step Wall: 4555.41, 0.00305106/step, 2.9558 hours remaining, 207.070312 MB of memory in use. ENERGY: 1512400 739.7081 2135.3366 1959.4370 117.2605 -206121.7775 17721.4225 0.0000 0.0000 34349.5325 -149099.0804 299.9830 -183448.6129 -149005.6437 300.0050 -115.6363 -83.7261 557691.6821 4.2787 4.2325 PRESSURE: 1512600 36.9849 2.5088 41.1084 2.5077 -94.7726 97.0397 41.1083 97.0393 -19.2353 GPRESSURE: 1512600 74.9684 -24.4667 2.31291 53.4034 -93.7424 24.554 20.4379 39.6021 36.2257 PRESSAVG: 1512600 3.00511 10.0524 -10.2562 10.0524 32.9685 2.21573 -10.2564 2.21571 -12.5614 GPRESSAVG: 1512600 3.55366 11.7962 -10.8356 8.62894 31.4118 6.3246 -10.6139 -1.08042 -12.2361 TIMING: 1512600 CPU: 4556.01, 0.00299923/step Wall: 4556.01, 0.00299923/step, 2.90542 hours remaining, 207.070312 MB of memory in use. ENERGY: 1512600 736.2184 2076.2978 1919.6302 98.1993 -206310.3878 17744.3607 0.0000 0.0000 34403.9420 -149331.7393 300.4582 -183735.6814 -149231.4807 299.0371 -25.6743 5.8172 556540.8535 7.8041 7.5765 PRESSURE: 1512800 443.726 83.5956 -66.8919 83.5938 27.1511 27.1944 -66.8922 27.1938 36.5 GPRESSURE: 1512800 472.392 131.289 -4.09041 81.5977 85.1363 -2.81862 -139.466 52.2468 49.0591 PRESSAVG: 1512800 60.2874 -4.10199 7.1092 -4.10198 -55.0713 20.0107 7.1093 20.0109 -47.3694 GPRESSAVG: 1512800 60.1761 -5.77047 7.00385 -1.68199 -53.5838 20.2529 7.51914 22.8568 -47.9431 TIMING: 1512800 CPU: 4556.61, 0.00301906/step Wall: 4556.61, 0.00301906/step, 2.92446 hours remaining, 207.070312 MB of memory in use. ENERGY: 1512800 789.2818 2092.2275 1906.5051 106.4247 -206729.4465 18242.8002 0.0000 0.0000 34174.9441 -149417.2630 298.4583 -183592.2071 -149323.5078 298.8809 169.1258 202.1958 555995.1239 -14.0511 -13.7836 PRESSURE: 1513000 91.289 -123.34 -126.941 -123.341 112.277 -4.80468 -126.943 -4.80623 -145.605 GPRESSURE: 1513000 169.246 10.7332 -78.1471 -141.637 137.994 -70.4385 -175.833 52.201 -147.724 PRESSAVG: 1513000 31.9879 -37.8789 -9.03973 -37.8789 10.2434 14.0206 -9.03971 14.0206 -28.5152 GPRESSAVG: 1513000 32.5038 -36.7187 -7.93046 -39.18 11.4317 11.5021 -10.0732 14.2061 -30.3762 TIMING: 1513000 CPU: 4557.21, 0.00301097/step Wall: 4557.21, 0.00301097/step, 2.91646 hours remaining, 207.070312 MB of memory in use. ENERGY: 1513000 742.8949 2103.2291 1929.7509 122.8080 -206028.9267 17744.1158 0.0000 0.0000 34103.1444 -149282.9836 297.8312 -183386.1280 -149186.6724 299.0800 19.3204 53.1719 556909.6782 4.5721 4.5198 PRESSURE: 1513200 240.594 84.8466 141.278 84.846 247.646 -111.573 141.277 -111.573 55.7438 GPRESSURE: 1513200 254.401 115.192 82.3518 43.1488 224.545 23.727 119.918 -183.723 161.233 PRESSAVG: 1513200 70.3938 22.1988 -47.4119 22.1987 0.0685249 44.2634 -47.4118 44.2634 -37.4175 GPRESSAVG: 1513200 70.7021 23.4624 -46.2945 22.8059 -0.327066 46.2881 -48.1509 42.8092 -37.4445 TIMING: 1513200 CPU: 4557.82, 0.00301706/step Wall: 4557.82, 0.00301706/step, 2.92219 hours remaining, 207.070312 MB of memory in use. ENERGY: 1513200 752.4429 2110.3061 1928.4427 129.5401 -206698.5381 18185.2801 0.0000 0.0000 34234.1333 -149358.3930 298.9752 -183592.5264 -149256.8879 298.5735 181.3278 213.3927 556772.8777 11.0149 10.9768 PRESSURE: 1513400 -57.0172 50.6314 64.4896 50.6314 -289.094 -155.317 64.4902 -155.319 -320.053 GPRESSURE: 1513400 -42.8213 -13.2924 -29.4742 59.5916 -241.721 -196.352 93.0836 -96.2886 -277.747 PRESSAVG: 1513400 -18.037 -9.23299 4.41976 -9.23305 69.2795 -29.0734 4.41978 -29.0735 -38.9217 GPRESSAVG: 1513400 -18.9452 -11.7823 1.01191 -7.87037 68.8821 -30.8666 5.51165 -29.3315 -36.913 TIMING: 1513400 CPU: 4558.42, 0.00301223/step Wall: 4558.42, 0.00301223/step, 2.91735 hours remaining, 207.070312 MB of memory in use. ENERGY: 1513400 789.4580 2061.4949 1964.5403 97.5565 -205975.8263 17453.8012 0.0000 0.0000 34304.3741 -149304.6012 299.5886 -183608.9754 -149207.1758 298.1429 -222.0547 -187.4295 557719.1349 4.1069 4.3413 PRESSURE: 1513600 -271.42 -196.346 116.621 -196.347 82.2059 -35.4047 116.62 -35.4044 53.527 GPRESSURE: 1513600 -259.606 -113.178 94.1643 -184.993 116.916 -24.8696 180.103 3.15678 98.2492 PRESSAVG: 1513600 -67.5652 -16.8636 71.3498 -16.8636 62.476 30.9915 71.3499 30.9915 21.3485 GPRESSAVG: 1513600 -68.3366 -13.7564 72.666 -17.6606 62.6614 31.4915 70.8356 31.6865 21.0153 TIMING: 1513600 CPU: 4559.03, 0.00305708/step Wall: 4559.03, 0.00305708/step, 2.96061 hours remaining, 207.070312 MB of memory in use. ENERGY: 1513600 784.2967 2055.4638 1906.4905 121.3875 -206195.2655 17798.1451 0.0000 0.0000 34471.8301 -149057.6519 301.0511 -183529.4819 -148968.1750 299.6558 -45.2290 -14.8135 559066.6756 5.4198 5.1134 PRESSURE: 1513800 -49.76 -2.86245 78.7205 -2.86397 34.7883 155.235 78.7208 155.236 149.211 GPRESSURE: 1513800 19.6558 -63.9904 29.8315 29.1685 59.4672 128.812 142.967 163.529 151.561 PRESSAVG: 1513800 -23.4919 37.781 13.9484 37.781 -54.3758 53.006 13.9485 53.006 42.3626 GPRESSAVG: 1513800 -22.7019 35.8457 14.6634 36.5532 -55.4334 54.1922 13.5295 51.7473 42.1053 TIMING: 1513800 CPU: 4559.64, 0.00304002/step Wall: 4559.64, 0.00304002/step, 2.94392 hours remaining, 207.070312 MB of memory in use. ENERGY: 1513800 686.9360 2075.6815 1944.9296 117.2857 -206048.1358 17815.2634 0.0000 0.0000 34473.9928 -148934.0468 301.0700 -183408.0396 -148836.7305 299.8059 44.7464 76.8948 557950.5418 -11.8351 -12.0100 PRESSURE: 1514000 106.249 -23.8458 17.0112 -23.8466 22.1233 88.3582 17.0116 88.3592 -76.3801 GPRESSURE: 1514000 96.775 -33.6238 43.4102 -87.4398 102.914 92.7133 -26.5375 123.801 -54.7621 PRESSAVG: 1514000 -5.40218 26.0722 39.2651 26.0722 30.9435 32.6459 39.2651 32.6459 -58.3213 GPRESSAVG: 1514000 -5.09964 25.7224 39.2826 26.9573 31.0318 31.9217 39.1452 33.7324 -58.9584 TIMING: 1514000 CPU: 4560.25, 0.00303449/step Wall: 4560.25, 0.00303449/step, 2.9384 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: 1514000 734.7226 2070.7538 1933.3130 115.7644 -205934.6461 17861.5464 0.0000 0.0000 34250.8515 -148967.6944 299.1212 -183218.5460 -148878.7573 300.2282 17.3308 48.3089 558081.2083 -10.9267 -11.0087 PRESSURE: 1514200 228.902 -16.3192 44.3268 -16.3192 152.267 -30.0977 44.3268 -30.098 363.97 GPRESSURE: 1514200 274.463 -60.1656 71.2219 24.856 173.444 -104.915 11.4787 -12.122 391.875 PRESSAVG: 1514200 -26.1302 4.2314 11.2577 4.23146 27.5681 -32.1357 11.2576 -32.1357 -28.2966 GPRESSAVG: 1514200 -25.9531 5.73557 9.15539 3.70834 26.9486 -32.9645 14.1038 -32.7246 -27.8056 TIMING: 1514200 CPU: 4560.85, 0.00303729/step Wall: 4560.85, 0.00303729/step, 2.94094 hours remaining, 207.332031 MB of memory in use. ENERGY: 1514200 712.4770 2085.1791 1927.0988 121.5595 -206013.3213 17987.7676 0.0000 0.0000 34384.0244 -148795.2150 300.2842 -183179.2393 -148695.0972 300.3399 248.3801 279.9272 557656.4453 -8.9529 -8.9367 PRESSURE: 1514400 -0.0649741 109.59 -141.255 109.59 209.146 48.0539 -141.256 48.0535 -148.875 GPRESSURE: 1514400 93.8007 43.1302 -133.863 62.5617 150.638 82.8022 -180.168 -58.2523 -93.3013 PRESSAVG: 1514400 -21.8122 -1.9048 -4.87963 -1.90478 34.865 1.36603 -4.87967 1.36601 3.50327 GPRESSAVG: 1514400 -22.2424 -3.70034 -3.73979 -0.97654 35.2827 0.728403 -4.8217 2.42647 3.36211 TIMING: 1514400 CPU: 4561.46, 0.00303341/step Wall: 4561.46, 0.00303341/step, 2.93702 hours remaining, 207.332031 MB of memory in use. ENERGY: 1514400 722.3230 2012.1761 1910.8843 105.3476 -205783.8911 17671.2656 0.0000 0.0000 34531.7239 -148830.1706 301.5741 -183361.8945 -148730.7908 300.0612 20.0685 50.3790 558560.3813 5.5187 5.4675 PRESSURE: 1514600 257.46 -217.351 -176.618 -217.351 5.8874 77.1114 -176.618 77.1104 -132.534 GPRESSURE: 1514600 274.447 -180.506 -225.016 -234.639 51.8271 29.2889 -142.048 86.3658 -113.743 PRESSAVG: 1514600 8.39974 -12.8346 1.54845 -12.8346 34.2074 -12.0106 1.5484 -12.0108 -19.3125 GPRESSAVG: 1514600 9.72817 -12.0226 1.40733 -13.4213 34.8734 -11.5277 -0.217199 -9.93624 -21.8508 TIMING: 1514600 CPU: 4562.07, 0.00303904/step Wall: 4562.07, 0.00303904/step, 2.9423 hours remaining, 207.332031 MB of memory in use. ENERGY: 1514600 752.2970 2089.8371 1938.5633 111.7101 -206048.8252 17923.8700 0.0000 0.0000 34399.1189 -148833.4287 300.4161 -183232.5477 -148738.2507 300.0713 43.6044 70.8436 558779.7154 7.7649 7.5836 PRESSURE: 1514800 -85.6171 -18.1419 -27.1642 -18.1422 150.411 -109.421 -27.1641 -109.421 -240.675 GPRESSURE: 1514800 -125.601 -135.057 21.6626 37.9174 243.316 -107.509 29.5606 -82.6236 -198.626 PRESSAVG: 1514800 -49.9514 -68.8113 -1.8523 -68.8114 133.421 -3.96916 -1.85227 -3.96923 -0.07691 GPRESSAVG: 1514800 -49.976 -68.574 0.141581 -67.8593 132.181 -1.15082 -2.1842 -7.82383 0.864585 TIMING: 1514800 CPU: 4562.67, 0.00302354/step Wall: 4562.67, 0.00302354/step, 2.92712 hours remaining, 207.332031 MB of memory in use. ENERGY: 1514800 762.1591 2063.0324 1924.2338 106.0670 -205680.2985 17626.2023 0.0000 0.0000 34380.8012 -148817.8027 300.2561 -183198.6039 -148723.9081 299.8527 -58.6271 -26.9704 558695.0017 27.7977 27.6897 PRESSURE: 1515000 149.883 152.944 -155.273 152.944 161.312 -198.713 -155.273 -198.713 17.6673 GPRESSURE: 1515000 168.104 147.923 -161.198 189.034 202.385 -203.109 -90.0081 -206.135 39.8837 PRESSAVG: 1515000 -53.8033 -24.7173 -0.235661 -24.7173 63.7037 0.331644 -0.235668 0.331665 -12.436 GPRESSAVG: 1515000 -53.1459 -25.0496 -0.0513471 -26.641 62.2157 -0.316506 0.531835 -0.798224 -11.3737 TIMING: 1515000 CPU: 4563.28, 0.00301796/step Wall: 4563.28, 0.00301796/step, 2.92155 hours remaining, 207.332031 MB of memory in use. ENERGY: 1515000 734.4125 2081.7008 1901.4242 113.9448 -205929.9395 17907.3605 0.0000 0.0000 34385.8431 -148805.2536 300.3001 -183191.0967 -148721.3123 299.6312 109.6206 136.7908 558404.5752 -0.8452 -0.7680 PRESSURE: 1515200 -246.678 -64.61 -27.9346 -64.6104 62.3364 -59.8323 -27.9354 -59.8305 174.468 GPRESSURE: 1515200 -154.288 -97.472 -3.6918 -66.7263 56.1236 -74.0722 -28.7356 -36.1439 184.608 PRESSAVG: 1515200 -34.6153 -34.5958 26.7152 -34.5956 21.2947 54.1382 26.7153 54.1381 29.9176 GPRESSAVG: 1515200 -35.7296 -34.5607 24.2646 -32.719 22.6503 56.2606 27.4577 56.2499 29.9286 TIMING: 1515200 CPU: 4563.88, 0.00303106/step Wall: 4563.88, 0.00303106/step, 2.93407 hours remaining, 207.332031 MB of memory in use. ENERGY: 1515200 719.7857 2040.1808 1927.5432 114.0044 -205340.2123 17608.8983 0.0000 0.0000 34261.9261 -148667.8738 299.2179 -182929.7999 -148572.0182 300.7285 -3.2911 28.8146 559813.0827 5.5324 5.6164 PRESSURE: 1515400 -124.586 -270.857 -89.9377 -270.857 138.134 218.907 -89.9373 218.909 -68.9267 GPRESSURE: 1515400 -100.882 -326.537 -110.852 -236.52 189.073 298.723 -41.9392 85.8929 -55.107 PRESSAVG: 1515400 -46.4215 -36.1281 -49.7369 -36.1281 12.5107 -13.4429 -49.7368 -13.443 0.596062 GPRESSAVG: 1515400 -46.1075 -37.3432 -47.567 -35.4009 12.7653 -14.1677 -51.1931 -14.5227 0.205478 TIMING: 1515400 CPU: 4564.49, 0.00303726/step Wall: 4564.49, 0.00303726/step, 2.9399 hours remaining, 207.332031 MB of memory in use. ENERGY: 1515400 771.3898 2139.1200 1933.5390 117.7778 -205556.4470 17644.8612 0.0000 0.0000 34317.3283 -148632.4308 299.7018 -182949.7592 -148542.6262 300.5478 -18.4597 11.0279 559304.8563 -11.1049 -11.0456 PRESSURE: 1515600 -310.106 -126.312 39.5862 -126.313 61.3647 -63.2424 39.5854 -63.2411 -111.122 GPRESSURE: 1515600 -298.179 -129.665 35.4625 -116.064 48.2202 -64.6782 -36.6958 -53.5502 -30.3381 PRESSAVG: 1515600 13.5319 -22.9729 14.9064 -22.9729 22.5358 -3.12304 14.9063 -3.12296 -14.4904 GPRESSAVG: 1515600 12.9136 -20.7165 12.8228 -24.6356 23.2469 -4.27391 16.0173 -0.154861 -14.6312 TIMING: 1515600 CPU: 4565.09, 0.0030254/step Wall: 4565.09, 0.0030254/step, 2.92825 hours remaining, 207.332031 MB of memory in use. ENERGY: 1515600 736.7672 2157.4089 1908.2548 117.1259 -205945.3449 17773.8821 0.0000 0.0000 34487.6398 -148764.2662 301.1891 -183251.9060 -148670.3360 300.8838 -119.9544 -93.4323 559744.7203 7.1925 7.1764 PRESSURE: 1515800 -169.2 47.5758 178.36 47.5775 -111.779 2.27441 178.359 2.27461 104.742 GPRESSURE: 1515800 -180.215 23.4695 262.012 77.3427 -88.4695 93.7344 154.5 -33.1801 195.941 PRESSAVG: 1515800 22.2154 44.0003 -26.4457 44.0003 -17.6832 27.5681 -26.4457 27.5679 -1.92102 GPRESSAVG: 1515800 22.332 41.9484 -25.8976 45.0868 -17.9159 25.8387 -26.841 26.1896 -1.37625 TIMING: 1515800 CPU: 4565.7, 0.00302659/step Wall: 4565.7, 0.00302659/step, 2.92924 hours remaining, 207.332031 MB of memory in use. ENERGY: 1515800 732.8521 2126.8373 1897.9864 96.5433 -205778.2793 17760.5704 0.0000 0.0000 34142.7938 -149020.6960 298.1775 -183163.4898 -148923.0980 300.5985 -58.7456 -24.2479 559742.0000 0.8704 1.0133 PRESSURE: 1516000 -282.742 -59.6812 64.2721 -59.6809 -216.996 -188.473 64.2722 -188.472 -201.466 GPRESSURE: 1516000 -222.703 -92.8169 -3.10625 -34.594 -187.433 -240.129 72.8769 -78.9189 -183.507 PRESSAVG: 1516000 70.9672 21.5243 -23.8174 21.5244 6.1963 -39.0978 -23.8174 -39.0978 -38.806 GPRESSAVG: 1516000 71.1235 20.9196 -23.807 21.7008 5.62675 -36.9056 -22.532 -40.5206 -38.4292 TIMING: 1516000 CPU: 4566.3, 0.00301852/step Wall: 4566.3, 0.00301852/step, 2.92126 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: 1516000 734.5523 2135.1776 1930.8560 122.0381 -205566.2886 17410.9147 0.0000 0.0000 34314.6224 -148918.1276 299.6781 -183232.7501 -148822.6980 300.0669 -233.7349 -197.8811 560697.5750 12.7859 12.7737 PRESSURE: 1516200 -62.8167 102.719 -145.291 102.72 63.2103 -27.798 -145.292 -27.7981 49.3546 GPRESSURE: 1516200 -10.055 102.127 -222.934 33.1617 106.778 -48.0713 -67.7108 -83.9922 40.535 PRESSAVG: 1516200 -11.2671 -49.91 -6.12431 -49.9099 20.8384 -79.7429 -6.1243 -79.7429 -25.8754 GPRESSAVG: 1516200 -11.0761 -49.4081 -5.66558 -51.271 20.0118 -80.2955 -7.91726 -78.7963 -25.0064 TIMING: 1516200 CPU: 4566.9, 0.00300269/step Wall: 4566.9, 0.00300269/step, 2.90577 hours remaining, 207.332031 MB of memory in use. ENERGY: 1516200 727.7596 2131.4586 1919.3354 120.8467 -205807.8191 17679.8525 0.0000 0.0000 34439.0267 -148789.5396 300.7646 -183228.5663 -148700.6516 300.6039 16.5827 45.7526 558744.8945 -5.4347 -5.3569 LDB: ============= START OF LOAD BALANCING ============== 4570.42 LDB: ============== END OF LOAD BALANCING =============== 4570.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4570.42 LDB: ============= START OF LOAD BALANCING ============== 4570.72 LDB: Largest compute 4800 load 0.031644 is 26.8% of average load 0.117860 LDB: Average compute 0.001741 is 1.5% of average load 0.117860 LDB: TIME 4570.73 LOAD: AVG 0.11786 MAX 0.215643 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.488 MB LDB: TIME 4570.73 LOAD: AVG 0.11786 MAX 0.215643 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.691 MB LDB: TIME 4570.73 LOAD: AVG 0.11786 MAX 0.215643 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.691 MB LDB: ============== END OF LOAD BALANCING =============== 4570.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4570.73 PRESSURE: 1516400 -272.057 -82.9313 82.7921 -82.9305 -86.351 -152.109 82.7937 -152.109 98.4667 GPRESSURE: 1516400 -235.008 -34.3681 160.893 -20.749 -87.105 -151.389 47.7863 -169.798 143.183 PRESSAVG: 1516400 -33.9771 -8.49548 42.4895 -8.49552 37.1322 -13.5443 42.4895 -13.5443 6.37277 GPRESSAVG: 1516400 -34.1427 -7.01895 42.5097 -8.7431 38.1958 -13.1236 44.5 -13.0613 5.39771 TIMING: 1516400 CPU: 4567.52, 0.00305488/step Wall: 4567.52, 0.00305488/step, 2.95611 hours remaining, 207.929688 MB of memory in use. ENERGY: 1516400 709.5054 2065.9923 1930.7632 115.8304 -205484.4852 17480.0248 0.0000 0.0000 34596.9350 -148585.4343 302.1436 -183182.3693 -148488.6703 301.0434 -86.6472 -59.6434 558418.3242 3.1760 3.1503 PRESSURE: 1516600 -116.646 -54.34 -7.30173 -54.34 -172.75 -103.313 -7.30054 -103.312 -246.168 GPRESSURE: 1516600 -19.0111 -10.7915 -12.5441 -97.9025 -160.157 -153.933 2.58745 -42.9544 -250.301 PRESSAVG: 1516600 50.8863 12.1041 -1.36278 12.1041 -59.59 -43.9167 -1.36285 -43.9167 22.9319 GPRESSAVG: 1516600 50.662 9.74329 -0.20159 13.857 -59.4793 -45.1057 -2.19146 -44.5574 23.0311 TIMING: 1516600 CPU: 4568.12, 0.0030158/step Wall: 4568.12, 0.0030158/step, 2.91812 hours remaining, 208.187500 MB of memory in use. ENERGY: 1516600 741.6311 2119.4463 1923.9956 117.2064 -205372.6712 17576.1612 0.0000 0.0000 34224.3063 -148669.9243 298.8894 -182894.2306 -148574.2996 300.7327 -178.5216 -143.1565 559593.8010 4.7427 4.7379 PRESSURE: 1516800 286.731 -8.59547 42.4263 -8.59649 -40.2842 -57.2585 42.4275 -57.2587 188.039 GPRESSURE: 1516800 315.749 76.7932 -54.4331 -54.4567 -61.4324 -62.9807 -29.8633 -100.055 271.462 PRESSAVG: 1516800 117.531 22.3619 6.22486 22.3618 -67.2146 -46.9141 6.22479 -46.9141 -57.1756 GPRESSAVG: 1516800 117.365 21.1025 1.92948 21.4973 -67.0098 -45.3971 5.58274 -47.0444 -57.4224 TIMING: 1516800 CPU: 4568.73, 0.00304538/step Wall: 4568.73, 0.00304538/step, 2.94658 hours remaining, 208.316406 MB of memory in use. ENERGY: 1516800 774.9677 2092.2467 1917.9226 117.9686 -206521.1547 18177.9946 0.0000 0.0000 34726.9710 -148713.0835 303.2793 -183440.0544 -148620.2044 300.7993 144.8285 175.2595 556531.2625 -2.2864 -2.3559 PRESSURE: 1517000 107.414 218.442 191.956 218.444 -12.9297 44.8141 191.956 44.8147 -130.807 GPRESSURE: 1517000 115.642 126.005 234.493 251.78 44.0384 98.6153 146.06 -41.6801 -89.7929 PRESSAVG: 1517000 33.0368 83.8922 -16.4494 83.8922 -41.6001 5.60144 -16.4494 5.60149 -28.2039 GPRESSAVG: 1517000 33.4455 86.5664 -14.5172 82.4286 -41.4684 5.08234 -14.7932 6.91235 -28.8468 TIMING: 1517000 CPU: 4569.34, 0.00303921/step Wall: 4569.34, 0.00303921/step, 2.94043 hours remaining, 208.316406 MB of memory in use. ENERGY: 1517000 766.6491 2090.4263 1937.0039 113.9911 -205890.0522 17801.3227 0.0000 0.0000 34454.5650 -148726.0941 300.9003 -183180.6591 -148630.8112 300.4487 -12.1077 23.2957 557673.6373 -12.2557 -12.2899 PRESSURE: 1517200 -136.822 -156.072 -163.839 -156.072 -46.7844 -49.8527 -163.839 -49.852 -7.75657 GPRESSURE: 1517200 -60.5579 -56.9523 -87.5875 -97.7194 -52.0915 -44.9046 -214.955 -42.8169 16.2098 PRESSAVG: 1517200 110.18 40.3412 75.8048 40.3411 -40.9395 19.1046 75.8047 19.1045 -49.5926 GPRESSAVG: 1517200 110.464 39.7968 77.0985 40.3394 -42.2084 17.5359 72.6694 18.2987 -48.5806 TIMING: 1517200 CPU: 4569.94, 0.00301105/step Wall: 4569.94, 0.00301105/step, 2.91303 hours remaining, 208.316406 MB of memory in use. ENERGY: 1517200 731.4365 2136.5100 1897.2325 111.4764 -205735.0196 17539.1370 0.0000 0.0000 34436.7986 -148882.4285 300.7451 -183319.2271 -148787.0111 300.4386 -63.7876 -32.1465 558310.2477 6.5492 6.5583 PRESSURE: 1517400 94.397 -20.5889 -37.7672 -20.5892 72.8812 121.849 -37.7666 121.848 -60.5112 GPRESSURE: 1517400 178.841 -0.412771 9.6247 -108.954 80.7623 13.519 -6.64919 166.756 -49.376 PRESSAVG: 1517400 -2.67795 7.20344 53.7945 7.20349 -11.9619 -6.34842 53.7945 -6.34829 30.4027 GPRESSAVG: 1517400 -2.93839 7.41953 51.8546 6.20058 -10.7064 -5.85612 57.0509 -5.92987 29.4475 TIMING: 1517400 CPU: 4570.54, 0.00301631/step Wall: 4570.54, 0.00301631/step, 2.91794 hours remaining, 208.316406 MB of memory in use. ENERGY: 1517400 740.3567 2114.4740 1929.4636 116.8767 -206285.1968 17943.4484 0.0000 0.0000 34519.7242 -148920.8532 301.4693 -183440.5773 -148820.6518 299.9295 35.5890 70.0758 558061.6803 5.2543 5.2676 PRESSURE: 1517600 39.8001 78.8002 167.679 78.7999 -273.801 113.586 167.679 113.586 -114.747 GPRESSURE: 1517600 74.9534 37.9281 187.449 93.5218 -290.125 143.065 38.7536 156.47 -28.9393 PRESSAVG: 1517600 22.4461 83.1434 14.2374 83.1434 10.2693 35.9046 14.2375 35.9045 -10.3966 GPRESSAVG: 1517600 22.2969 81.9437 13.5043 85.0962 9.33674 35.3165 15.053 35.5897 -9.32456 TIMING: 1517600 CPU: 4571.15, 0.00303914/step Wall: 4571.15, 0.00303914/step, 2.93986 hours remaining, 208.316406 MB of memory in use. ENERGY: 1517600 756.2850 2103.8867 1927.2800 113.8305 -206113.1925 17603.6265 0.0000 0.0000 34512.0727 -149096.2110 301.4025 -183608.2837 -149006.4688 300.3722 -116.2493 -81.3704 557354.0875 7.4396 7.4364 PRESSURE: 1517800 -49.6394 -184.351 -55.8036 -184.352 -9.77671 92.2465 -55.8033 92.2478 -206.168 GPRESSURE: 1517800 -58.6828 -140.198 -30.5775 -168.948 31.0089 45.7437 -141.905 114.318 -153.317 PRESSAVG: 1517800 11.5312 15.6653 -20.9965 15.6654 34.3849 -11.9613 -20.9965 -11.9613 -47.514 GPRESSAVG: 1517800 10.9189 16.3955 -19.6575 14.1066 35.1288 -12.3507 -21.6356 -11.7652 -48.2782 TIMING: 1517800 CPU: 4571.76, 0.00304097/step Wall: 4571.76, 0.00304097/step, 2.94146 hours remaining, 208.316406 MB of memory in use. ENERGY: 1517800 755.5584 2100.1566 1918.9654 112.5705 -206114.0183 17622.5270 0.0000 0.0000 34241.7672 -149362.4732 299.0419 -183604.2404 -149262.8000 299.3234 -88.5280 -60.3304 556023.0082 -0.5326 -0.7435 PRESSURE: 1518000 -159.769 -65.6867 -152.285 -65.6859 23.0674 -46.1772 -152.285 -46.1773 -209.335 GPRESSURE: 1518000 -119.729 -41.4503 -161.958 -65.2306 18.4806 -3.77764 -171.725 -28.5011 -154.881 PRESSAVG: 1518000 -0.710376 24.2218 -26.6637 24.2218 31.4378 -13.1692 -26.6637 -13.1691 19.1031 GPRESSAVG: 1518000 -0.465355 25.8178 -28.8074 24.3273 30.4811 -11.6347 -26.8261 -12.247 19.026 TIMING: 1518000 CPU: 4572.37, 0.00304159/step Wall: 4572.37, 0.00304159/step, 2.94189 hours remaining, 208.316406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1518000 752.1997 2093.5856 1940.1529 117.7996 -206057.5831 17581.4339 0.0000 0.0000 34334.8468 -149237.5647 299.8548 -183572.4115 -149143.5757 298.9856 -115.3456 -85.3765 557205.0445 16.6102 16.3472 PRESSURE: 1518200 47.3386 -54.1359 34.6002 -54.1353 197.209 -46.6094 34.5996 -46.6074 107.948 GPRESSURE: 1518200 119.5 27.9954 57.1525 -42.8968 187.845 -54.6017 10.8072 -121.725 146.616 PRESSAVG: 1518200 -31.4236 5.16194 -16.1463 5.16188 66.5794 -54.5103 -16.1462 -54.5104 -49.8653 GPRESSAVG: 1518200 -32.7736 4.04019 -13.7223 4.7682 67.3772 -55.0183 -17.2495 -54.9697 -49.4536 TIMING: 1518200 CPU: 4572.97, 0.0030364/step Wall: 4572.97, 0.0030364/step, 2.93671 hours remaining, 208.316406 MB of memory in use. ENERGY: 1518200 753.3081 2094.5704 1953.7769 114.8940 -206251.2779 18076.7848 0.0000 0.0000 34212.3685 -149045.5752 298.7851 -183257.9436 -148952.8429 298.6259 117.4987 151.3205 556922.9779 -4.9032 -4.9500 PRESSURE: 1518400 -50.6954 34.3275 131.694 34.3282 -78.087 22.4448 131.693 22.4431 96.7677 GPRESSURE: 1518400 -33.6045 54.7419 161.2 32.9677 -32.3211 -20.7213 117.966 -22.5413 121.409 PRESSAVG: 1518400 -43.7396 -0.206017 -35.2838 -0.206044 66.1395 -3.16808 -35.2838 -3.1681 30.1282 GPRESSAVG: 1518400 -40.9351 -1.02456 -35.3128 1.79169 64.3928 -3.09217 -34.9494 -4.71587 29.3655 TIMING: 1518400 CPU: 4573.58, 0.00304458/step Wall: 4573.58, 0.00304458/step, 2.94444 hours remaining, 208.328125 MB of memory in use. ENERGY: 1518400 781.2486 2140.3543 1900.3489 113.4474 -206000.2042 17797.4195 0.0000 0.0000 34433.6276 -148833.7579 300.7174 -183267.3854 -148738.6075 300.5757 -10.6716 18.4946 557160.6709 17.5094 17.6077 PRESSURE: 1518600 181.71 -88.4573 14.9772 -88.4581 -111.814 -12.7569 14.9777 -12.7565 -57.744 GPRESSURE: 1518600 204.46 2.04712 -17.4044 -68.9217 -103.836 49.0134 -12.2215 -43.2828 15.533 PRESSAVG: 1518600 -1.0355 5.89513 16.0058 5.89513 -31.7927 -1.72767 16.0058 -1.72779 32.6376 GPRESSAVG: 1518600 -2.96938 6.13806 15.9702 4.86243 -30.2806 -0.84373 15.2848 -0.425709 32.9232 TIMING: 1518600 CPU: 4574.18, 0.00300773/step Wall: 4574.18, 0.00300773/step, 2.90865 hours remaining, 208.328125 MB of memory in use. ENERGY: 1518600 774.1036 2144.9404 1931.5182 111.5871 -206339.1623 17844.6708 0.0000 0.0000 34513.7449 -149018.5972 301.4171 -183532.3421 -148924.5064 300.3712 4.0506 38.7191 555443.7084 -0.0635 -0.1089 PRESSURE: 1518800 32.1884 -142.398 15.6917 -142.4 -10.2436 7.45257 15.6917 7.45119 -9.73086 GPRESSURE: 1518800 117.775 -118.772 -2.16342 -172.805 -9.75842 72.6889 21.8612 43.1992 -5.03327 PRESSAVG: 1518800 120.763 -48.6535 -26.6099 -48.6535 -40.4096 -25.7175 -26.61 -25.7175 -47.0685 GPRESSAVG: 1518800 121.901 -50.7403 -26.4338 -47.3835 -40.5629 -28.8037 -27.6218 -23.9273 -47.9341 TIMING: 1518800 CPU: 4574.79, 0.00301596/step Wall: 4574.79, 0.00301596/step, 2.91643 hours remaining, 208.328125 MB of memory in use. ENERGY: 1518800 742.1040 2130.0842 1925.3881 110.2366 -206101.0878 17831.4716 0.0000 0.0000 34466.2065 -148895.5968 301.0020 -183361.8033 -148792.4390 299.9665 4.0713 34.3278 556826.9029 11.0950 11.1347 PRESSURE: 1519000 93.7777 -40.2573 -0.332116 -40.2575 -118.232 -32.3344 -0.333393 -32.3342 334.867 GPRESSURE: 1519000 89.4753 -70.7097 -33.5495 70.8297 -57.7071 -173.317 68.0868 60.4441 374.931 PRESSAVG: 1519000 66.8762 27.4794 11.5654 27.4794 -105.596 -17.6492 11.5655 -17.6492 46.8868 GPRESSAVG: 1519000 65.7654 29.587 11.5024 26.9238 -105.783 -16.2186 12.4629 -18.9016 47.6549 TIMING: 1519000 CPU: 4575.39, 0.00302399/step Wall: 4575.39, 0.00302399/step, 2.92403 hours remaining, 208.328125 MB of memory in use. ENERGY: 1519000 716.2398 2075.8206 1972.9764 122.0145 -206486.2748 17980.4328 0.0000 0.0000 34638.7394 -148980.0513 302.5087 -183618.7907 -148888.4481 300.0890 103.4708 135.5663 556959.4429 2.7225 2.5456 PRESSURE: 1519200 51.2274 206.577 90.3246 206.576 54.7483 142.781 90.3266 142.782 -80.9624 GPRESSURE: 1519200 51.8089 199.789 46.2132 147.793 56.7623 117.129 38.1551 194.869 14.3153 PRESSAVG: 1519200 52.2575 16.6792 -14.8381 16.6792 -11.3384 23.5692 -14.8381 23.5691 12.2079 GPRESSAVG: 1519200 53.0909 16.8473 -16.1751 14.8764 -11.5963 24.0523 -12.8287 23.1303 11.6552 TIMING: 1519200 CPU: 4576, 0.0030383/step Wall: 4576, 0.0030383/step, 2.9377 hours remaining, 208.328125 MB of memory in use. ENERGY: 1519200 736.3259 2170.7068 1942.9150 116.6771 -205866.2964 17740.7368 0.0000 0.0000 34253.5043 -148905.4305 299.1444 -183158.9348 -148816.7133 300.5795 8.3377 40.9622 559216.9502 17.7090 17.7166 PRESSURE: 1519400 192.615 -42.6266 -7.01254 -42.626 144.92 -206.502 -7.01164 -206.503 25.8515 GPRESSURE: 1519400 196.899 -28.2586 12.9525 -41.079 189.68 -233.84 80.9265 -136.885 64.2217 PRESSAVG: 1519400 33.2338 -31.8688 -13.0448 -31.8689 -97.9035 -29.9515 -13.0448 -29.9516 68.5673 GPRESSAVG: 1519400 31.1539 -33.6668 -12.8626 -29.3686 -96.6809 -30.0962 -13.1781 -30.2403 69.5907 TIMING: 1519400 CPU: 4576.61, 0.00307982/step Wall: 4576.61, 0.00307982/step, 2.97767 hours remaining, 208.328125 MB of memory in use. ENERGY: 1519400 753.3978 2075.6882 1908.3304 116.1513 -206235.6306 18078.9492 0.0000 0.0000 34178.9792 -149124.1346 298.4935 -183303.1138 -149028.3562 299.9035 121.1288 150.2667 558249.5823 1.2992 1.3546 PRESSURE: 1519600 25.8152 12.0815 -156.812 12.0811 141.586 -48.9143 -156.813 -48.9147 108.313 GPRESSURE: 1519600 98.1599 9.07816 -205.708 -55.8213 157.595 -144.591 -62.0906 -122.877 119.362 PRESSAVG: 1519600 -22.3077 13.9172 0.38887 13.9171 9.86099 -13.5952 0.388746 -13.5952 23.475 GPRESSAVG: 1519600 -19.385 15.6962 1.65411 12.1284 7.47697 -14.1188 -1.17675 -13.6682 23.3378 TIMING: 1519600 CPU: 4577.23, 0.00308872/step Wall: 4577.23, 0.00308872/step, 2.98611 hours remaining, 208.328125 MB of memory in use. ENERGY: 1519600 758.8499 2122.0986 1919.6167 132.6391 -206373.9895 18138.0436 0.0000 0.0000 34098.5151 -149204.2265 297.7908 -183302.7416 -149103.4404 298.5516 91.9049 125.0387 557907.1976 3.6761 3.8099 PRESSURE: 1519800 -124.204 -37.0696 -50.7184 -37.07 259.642 61.0203 -50.7189 61.02 -306.666 GPRESSURE: 1519800 -45.1084 -154.264 -27.5949 7.12932 318.756 109.124 -73.1513 52.2566 -345.05 PRESSAVG: 1519800 66.7849 -2.02901 15.5422 -2.02899 4.95089 -36.0813 15.5423 -36.0812 -68.5006 GPRESSAVG: 1519800 66.1792 -3.16111 15.5012 -1.55674 5.63795 -36.0273 16.2065 -36.1515 -68.0653 TIMING: 1519800 CPU: 4577.85, 0.0030724/step Wall: 4577.85, 0.0030724/step, 2.97015 hours remaining, 208.328125 MB of memory in use. ENERGY: 1519800 747.2487 2087.3533 1933.3006 110.1321 -206111.5678 17849.5988 0.0000 0.0000 34317.8631 -149066.0713 299.7064 -183383.9343 -148970.3492 299.0256 -57.0762 -23.8008 556505.3038 1.0784 1.2506 PRESSURE: 1520000 -229.021 3.39074 -11.8142 3.3903 107.345 -118.507 -11.8133 -118.508 -61.481 GPRESSURE: 1520000 -179.935 38.8947 -72.1007 19.4761 161.592 -105.517 86.4284 -205.145 -65.6429 PRESSAVG: 1520000 -56.9812 -23.5701 -14.0249 -23.5701 118.375 6.16364 -14.0249 6.16356 -57.8447 GPRESSAVG: 1520000 -57.5798 -22.4325 -14.356 -22.3137 120.17 9.34712 -14.9303 4.18731 -58.8518 TIMING: 1520000 CPU: 4578.46, 0.00304823/step Wall: 4578.46, 0.00304823/step, 2.94662 hours remaining, 208.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1520000 764.8095 2117.8298 1927.6944 127.6137 -206063.1896 17594.9468 0.0000 0.0000 34422.5641 -149107.7314 300.6208 -183530.2955 -149014.6338 299.5171 -61.0525 -27.9955 556520.1599 1.1831 1.2460 PRESSURE: 1520200 15.9413 135.364 -58.7314 135.366 83.53 85.5778 -58.7313 85.5776 -225.776 GPRESSURE: 1520200 32.7989 16.5118 -5.30787 135.189 112.133 92.9064 -80.8054 85.6338 -186.706 PRESSAVG: 1520200 -46.6708 19.7591 -5.99678 19.759 50.2551 -22.5908 -5.99662 -22.5907 -14.4901 GPRESSAVG: 1520200 -47.5411 17.871 -4.54993 20.2982 49.4468 -27.1073 -6.59225 -21.9066 -13.1823 TIMING: 1520200 CPU: 4579.06, 0.0030413/step Wall: 4579.06, 0.0030413/step, 2.93975 hours remaining, 208.328125 MB of memory in use. ENERGY: 1520200 754.9631 2080.0864 1931.4571 105.3568 -206225.4618 17842.0619 0.0000 0.0000 34363.5945 -149147.9421 300.1058 -183511.5365 -149058.0503 299.3048 -42.1015 -13.9247 556506.4474 -3.6353 -3.7589 LDB: ============= START OF LOAD BALANCING ============== 4582.58 LDB: ============== END OF LOAD BALANCING =============== 4582.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4582.59 LDB: ============= START OF LOAD BALANCING ============== 4582.89 LDB: Largest compute 4800 load 0.033016 is 28.0% of average load 0.117914 LDB: Average compute 0.001725 is 1.5% of average load 0.117914 LDB: TIME 4582.89 LOAD: AVG 0.117914 MAX 0.221515 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.074 MB LDB: TIME 4582.89 LOAD: AVG 0.117914 MAX 0.221515 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.074 MB LDB: TIME 4582.89 LOAD: AVG 0.117914 MAX 0.221515 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.074 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4582.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4582.9 PRESSURE: 1520400 83.1433 -89.3538 -50.0627 -89.3539 189.357 24.18 -50.0647 24.1802 168.454 GPRESSURE: 1520400 69.4455 -108.793 -15.0422 3.67578 227.571 54.0563 -96.2486 -13.8379 234.515 PRESSAVG: 1520400 -20.5718 -11.609 -26.0601 -11.6089 46.9378 44.6213 -26.0601 44.6213 22.6887 GPRESSAVG: 1520400 -19.115 -11.0104 -26.8999 -12.5842 46.5292 45.7598 -24.8885 46.1719 21.1201 TIMING: 1520400 CPU: 4579.68, 0.00309454/step Wall: 4579.68, 0.00309454/step, 2.99105 hours remaining, 207.359375 MB of memory in use. ENERGY: 1520400 752.5343 2142.2335 1944.1001 111.2896 -206316.4021 17906.4260 0.0000 0.0000 34389.6847 -149070.1338 300.3337 -183459.8185 -148971.4946 299.9704 146.9845 177.1773 555717.6832 16.3516 16.1781 PRESSURE: 1520600 -197.399 82.8299 48.1256 82.8297 -238.713 -19.2949 48.1255 -19.296 3.77392 GPRESSURE: 1520600 -107.762 142.511 31.9478 -1.3508 -218.428 -83.0485 115.904 121.364 -6.01575 PRESSAVG: 1520600 -45.9835 14.2315 -35.1353 14.2315 76.9046 -42.6333 -35.1353 -42.6332 -22.8793 GPRESSAVG: 1520600 -46.6039 14.8846 -35.8794 13.8227 77.3024 -44.1573 -35.5073 -42.5179 -22.3571 TIMING: 1520600 CPU: 4580.29, 0.003056/step Wall: 4580.29, 0.003056/step, 2.95362 hours remaining, 207.429688 MB of memory in use. ENERGY: 1520600 758.0346 2084.2569 1924.2417 102.4925 -205897.1185 17463.5471 0.0000 0.0000 34288.9311 -149275.6145 299.4538 -183564.5456 -149175.4979 300.0903 -144.1126 -110.7353 556743.6724 2.6806 2.7805 PRESSURE: 1520800 -211.916 -40.6076 11.283 -40.609 -285.143 -143.194 11.2833 -143.195 18.1557 GPRESSURE: 1520800 -217.8 -89.8915 75.4812 -36.3554 -199.902 -127.774 69.326 -114.376 43.3915 PRESSAVG: 1520800 -40.7948 9.36772 -0.0552298 9.36781 26.4052 14.45 -0.0552448 14.4502 37.8034 GPRESSAVG: 1520800 -40.1574 9.83172 -0.788376 8.59171 26.3011 15.5895 0.330158 13.9144 37.3684 TIMING: 1520800 CPU: 4580.9, 0.00302679/step Wall: 4580.9, 0.00302679/step, 2.92522 hours remaining, 207.429688 MB of memory in use. ENERGY: 1520800 752.0894 2127.6378 1961.1662 99.9346 -206167.5624 17643.6149 0.0000 0.0000 34172.5574 -149410.5622 298.4374 -183583.1196 -149321.6061 298.5747 -159.6345 -124.7702 557720.8207 7.8046 7.8374 PRESSURE: 1521000 -18.9049 59.2222 138.101 59.2217 254.816 -67.7249 138.099 -67.7251 203.431 GPRESSURE: 1521000 5.83701 42.9822 27.7738 64.1418 316.84 -68.472 251.405 -38.9346 218.985 PRESSAVG: 1521000 44.2589 54.8224 25.8885 54.8223 -50.9619 -39.003 25.8884 -39.0031 5.07234 GPRESSAVG: 1521000 43.8862 54.733 27.8302 56.2037 -51.6099 -38.1711 24.5828 -39.1015 5.91973 TIMING: 1521000 CPU: 4581.51, 0.0030381/step Wall: 4581.51, 0.0030381/step, 2.93598 hours remaining, 207.429688 MB of memory in use. ENERGY: 1521000 745.2878 2133.9513 1902.4631 98.4173 -206907.2093 18147.9920 0.0000 0.0000 34392.4485 -149486.6492 300.3578 -183879.0977 -149402.4749 297.6843 146.4474 180.5539 556364.2338 -0.5435 -0.6013 PRESSURE: 1521200 -461.359 -86.255 233.652 -86.2543 10.0386 -58.6009 233.652 -58.6019 204.943 GPRESSURE: 1521200 -428.656 -107.38 232.995 -66.544 51.59 -85.9862 209.722 -69.4673 213.307 PRESSAVG: 1521200 -0.100169 -19.1869 59.3484 -19.1868 -29.1273 -71.3423 59.3485 -71.3423 59.5292 GPRESSAVG: 1521200 0.246554 -18.84 57.6501 -20.9712 -28.9684 -72.8874 61.6648 -71.5766 59.7503 TIMING: 1521200 CPU: 4582.12, 0.00303806/step Wall: 4582.12, 0.00303806/step, 2.93578 hours remaining, 207.429688 MB of memory in use. ENERGY: 1521200 735.4858 2062.2077 1908.0871 110.5274 -206032.4239 17722.4130 0.0000 0.0000 34090.2451 -149403.4579 297.7186 -183493.7030 -149303.3963 298.8112 -82.1256 -54.5865 558211.4994 10.1006 10.3428 PRESSURE: 1521400 -305.459 70.0987 -143.2 70.0976 -143.578 108.594 -143.199 108.595 -277.834 GPRESSURE: 1521400 -294.127 98.6152 -141.069 19.314 -91.3159 100.595 -142.592 90.5495 -246.558 PRESSAVG: 1521400 14.9548 24.8594 -8.06852 24.8594 -2.07889 -74.4271 -8.06856 -74.4271 4.5399 GPRESSAVG: 1521400 15.605 26.9757 -6.34508 24.8138 -2.27594 -73.1118 -9.0045 -74.4831 4.31197 TIMING: 1521400 CPU: 4582.72, 0.00304515/step Wall: 4582.72, 0.00304515/step, 2.94246 hours remaining, 207.429688 MB of memory in use. ENERGY: 1521400 704.0857 2056.3627 1922.2312 129.6729 -205831.0586 17455.5959 0.0000 0.0000 34098.4301 -149464.6802 297.7901 -183563.1103 -149376.0932 298.4574 -242.2902 -210.6671 557832.1224 5.8053 5.8803 PRESSURE: 1521600 -297.596 44.7246 14.0805 44.725 -104.824 -54.6888 14.081 -54.6892 -54.6525 GPRESSURE: 1521600 -248.155 107.98 -95.4161 45.654 -73.5917 -11.0501 85.3848 -54.1002 -27.8873 PRESSAVG: 1521600 -39.2765 51.1145 -19.6628 51.1144 -29.3765 -51.943 -19.6628 -51.9431 52.3888 GPRESSAVG: 1521600 -39.4756 49.0272 -19.7481 52.467 -27.9353 -50.1324 -19.7454 -50.8338 51.0915 TIMING: 1521600 CPU: 4583.34, 0.00308261/step Wall: 4583.34, 0.00308261/step, 2.97848 hours remaining, 207.429688 MB of memory in use. ENERGY: 1521600 713.5708 2058.4900 1919.8796 105.3011 -205949.2501 17477.3465 0.0000 0.0000 34118.5572 -149556.1049 297.9658 -183674.6620 -149456.0705 297.8965 -152.3574 -116.5445 557788.2523 -5.4214 -5.4398 PRESSURE: 1521800 -7.48866 55.5566 62.8167 55.5547 -86.977 -21.097 62.8168 -21.0971 -2.66674 GPRESSURE: 1521800 58.2801 131.433 16.3261 -18.1958 -130.208 -72.6483 152.904 22.2771 72.3644 PRESSAVG: 1521800 -49.2806 49.333 -8.76376 49.3331 42.9784 -73.054 -8.76365 -73.0539 40.4499 GPRESSAVG: 1521800 -50.686 49.3192 -8.37069 47.7763 42.524 -76.363 -9.40808 -72.4224 42.664 TIMING: 1521800 CPU: 4583.95, 0.00306693/step Wall: 4583.95, 0.00306693/step, 2.96317 hours remaining, 207.429688 MB of memory in use. ENERGY: 1521800 707.2913 2075.7449 1917.2111 107.8766 -205841.3802 17571.3588 0.0000 0.0000 34065.9596 -149395.9380 297.5065 -183461.8975 -149305.0144 298.5505 -32.3775 0.1454 557901.8014 11.3826 11.5006 PRESSURE: 1522000 94.4678 -37.2161 -10.6748 -37.2158 118.374 -141.664 -10.6737 -141.664 -39.1801 GPRESSURE: 1522000 141.318 70.5374 -48.2822 -124.347 135.127 -142.596 -30.7228 -183.399 -13.7619 PRESSAVG: 1522000 -9.40151 11.871 -31.999 11.871 -11.4846 -39.7518 -31.9991 -39.7518 29.5434 GPRESSAVG: 1522000 -8.71813 13.1847 -34.0604 12.3533 -11.7895 -37.7855 -30.6603 -41.2342 29.2873 TIMING: 1522000 CPU: 4584.56, 0.00304816/step Wall: 4584.56, 0.00304816/step, 2.94486 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: 1522000 733.9266 2000.4674 1915.9807 103.5365 -206430.6627 18004.2064 0.0000 0.0000 34295.1155 -149377.4296 299.5078 -183672.5451 -149280.0110 298.6543 57.8871 87.5611 557621.8717 2.8858 2.9265 PRESSURE: 1522200 1.67494 50.3325 -194.307 50.3318 53.5833 -9.19544 -194.307 -9.1955 110.079 GPRESSURE: 1522200 35.7062 54.5516 -197.931 32.7011 89.9664 -83.1878 -168.954 73.0311 125.629 PRESSAVG: 1522200 31.696 -51.7485 -62.5266 -51.7485 6.83229 -68.9434 -62.5267 -68.9435 -25.0283 GPRESSAVG: 1522200 31.5599 -53.4472 -61.3706 -51.7744 7.36269 -69.7353 -62.9424 -67.2306 -25.604 TIMING: 1522200 CPU: 4585.17, 0.0030468/step Wall: 4585.17, 0.0030468/step, 2.94338 hours remaining, 207.429688 MB of memory in use. ENERGY: 1522200 743.1653 2011.5263 1923.7556 106.9833 -206375.5273 17914.9355 0.0000 0.0000 34285.9929 -149389.1685 299.4281 -183675.1614 -149292.9638 299.8991 55.1125 83.7671 556347.8715 4.5000 4.4395 PRESSURE: 1522400 -125.709 -57.059 -8.90942 -57.0581 -84.8858 36.6982 -8.90833 36.6976 207.463 GPRESSURE: 1522400 -107.23 -20.6495 -15.8121 -114.78 -21.3473 85.2867 -98.3785 111.745 227.766 PRESSAVG: 1522400 7.75244 56.4085 -76.0562 56.4085 -7.36388 -1.5193 -76.0561 -1.5191 4.80287 GPRESSAVG: 1522400 9.43573 56.2383 -77.198 59.5991 -8.36009 -1.28739 -75.3623 -2.67932 4.82596 TIMING: 1522400 CPU: 4585.78, 0.00303433/step Wall: 4585.78, 0.00303433/step, 2.93117 hours remaining, 207.429688 MB of memory in use. ENERGY: 1522400 765.3198 2052.2923 1893.0148 105.8750 -206007.5046 17789.4574 0.0000 0.0000 34125.0620 -149276.4833 298.0227 -183401.5454 -149178.4063 299.0011 -1.0439 33.0630 556673.7485 1.7305 1.9672 PRESSURE: 1522600 -86.1291 -37.9836 181.823 -37.9849 -90.7942 -136.029 181.822 -136.029 8.03536 GPRESSURE: 1522600 -77.5865 -63.4732 161.794 -28.058 -61.5785 -123.129 178.104 -154.288 61.3576 PRESSAVG: 1522600 -87.1666 -51.7514 40.2107 -51.7514 -18.7938 9.53622 40.2107 9.53624 63.7829 GPRESSAVG: 1522600 -87.4157 -51.1511 39.1065 -52.7901 -18.0133 11.4062 40.8964 9.64852 62.6763 TIMING: 1522600 CPU: 4586.39, 0.00303789/step Wall: 4586.39, 0.00303789/step, 2.93443 hours remaining, 207.429688 MB of memory in use. ENERGY: 1522600 774.4910 2071.8419 1931.2110 112.1815 -206334.1412 17955.5126 0.0000 0.0000 34214.1365 -149274.7666 298.8006 -183488.9031 -149185.0090 299.1793 -56.2960 -25.9358 558048.8433 -14.0592 -14.2509 PRESSURE: 1522800 -215.306 -84.5495 -8.10462 -84.5485 25.2578 92.0013 -8.10435 92.0008 -139.098 GPRESSURE: 1522800 -180.402 -68.3926 -22.4608 -149.99 65.2276 92.4105 -2.31174 179.241 -114.662 PRESSAVG: 1522800 -11.4165 -55.3368 37.9531 -55.3369 -16.5573 8.33684 37.9531 8.33679 29.384 GPRESSAVG: 1522800 -11.0192 -54.2386 39.5605 -56.8181 -17.3898 6.63034 36.7957 10.5769 30.1023 TIMING: 1522800 CPU: 4587, 0.00305362/step Wall: 4587, 0.00305362/step, 2.94945 hours remaining, 207.429688 MB of memory in use. ENERGY: 1522800 759.8015 2062.7002 1931.5723 128.0317 -206391.8602 17841.3102 0.0000 0.0000 34316.3169 -149352.1274 299.6929 -183668.4443 -149249.0698 299.7075 -109.7154 -76.6118 558698.9278 0.4701 0.5645 PRESSURE: 1523000 73.2041 -69.6712 21.2639 -69.671 -58.8615 -65.0253 21.2642 -65.0253 -93.1564 GPRESSURE: 1523000 136.925 -116.291 50.799 33.6746 4.3296 -7.95657 61.2757 -84.3845 -125.57 PRESSAVG: 1523000 -10.221 -14.3937 38.0645 -14.3937 67.7764 35.8412 38.0645 35.8411 -12.1561 GPRESSAVG: 1523000 -9.90204 -14.0123 38.1082 -14.1067 67.8687 35.945 36.0705 32.4678 -12.3421 TIMING: 1523000 CPU: 4587.61, 0.00303616/step Wall: 4587.61, 0.00303616/step, 2.93243 hours remaining, 207.429688 MB of memory in use. ENERGY: 1523000 741.0604 2026.7574 1926.7199 121.0181 -206405.7296 17843.5380 0.0000 0.0000 34357.8855 -149388.7504 300.0560 -183746.6359 -149289.5928 298.9268 -26.2713 5.2282 558399.7993 15.1331 15.2082 PRESSURE: 1523200 -258.521 9.52387 84.1289 9.52446 -125.685 50.4691 84.1284 50.469 173.308 GPRESSURE: 1523200 -221.331 -9.64595 64.5861 -19.7904 -115.651 9.31898 118.182 67.1829 228.471 PRESSAVG: 1523200 -13.9537 19.1351 13.9352 19.135 9.96418 -5.62573 13.9352 -5.62564 -12.529 GPRESSAVG: 1523200 -15.1443 17.1636 12.8633 18.2417 10.2708 -5.82933 16.0982 -4.34249 -11.4366 TIMING: 1523200 CPU: 4588.21, 0.00302311/step Wall: 4588.21, 0.00302311/step, 2.91966 hours remaining, 207.429688 MB of memory in use. ENERGY: 1523200 728.8180 2088.5091 1939.9344 108.6631 -206131.9173 17895.2486 0.0000 0.0000 34329.5377 -149041.2063 299.8084 -183370.7441 -148947.5842 299.3654 -70.2995 -36.1701 558323.9837 -5.5062 -5.4367 PRESSURE: 1523400 -14.2772 37.5542 22.5664 37.5532 101.216 -133.091 22.5679 -133.091 -85.4996 GPRESSURE: 1523400 -6.69083 55.9098 -22.5607 8.26318 163.42 -62.5688 -14.1903 -172.506 -55.4553 PRESSAVG: 1523400 -81.0414 -14.929 59.7471 -14.9289 44.5828 4.08188 59.7471 4.0819 13.7188 GPRESSAVG: 1523400 -80.3509 -13.6136 58.8393 -12.8405 45.0968 4.2751 58.7242 4.43722 12.2586 TIMING: 1523400 CPU: 4588.82, 0.003034/step Wall: 4588.82, 0.003034/step, 2.93 hours remaining, 207.429688 MB of memory in use. ENERGY: 1523400 802.7315 2086.6964 1910.2112 124.6548 -206582.9334 18163.8244 0.0000 0.0000 34351.2494 -149143.5658 299.9980 -183494.8152 -149049.0400 299.8740 0.4796 33.7579 556946.6013 -7.5799 -7.6652 PRESSURE: 1523600 -353.483 8.06636 31.7722 8.06398 91.8156 -5.22704 31.7724 -5.22804 248.925 GPRESSURE: 1523600 -307.472 -14.232 99.1845 41.7624 126.318 21.7882 -22.042 -15.868 262.099 PRESSAVG: 1523600 -49.2237 -35.4239 52.647 -35.4239 36.0614 33.007 52.6471 33.007 0.919864 GPRESSAVG: 1523600 -48.7879 -34.8185 55.3058 -35.3448 36.198 32.8738 51.3619 30.6996 0.745028 TIMING: 1523600 CPU: 4589.42, 0.00303595/step Wall: 4589.42, 0.00303595/step, 2.93172 hours remaining, 207.429688 MB of memory in use. ENERGY: 1523600 742.9611 2058.6620 1919.4877 107.4901 -206090.9237 17854.7597 0.0000 0.0000 34362.0586 -149045.5045 300.0924 -183407.5630 -148952.3427 299.7775 -4.2476 26.9814 558359.1798 -4.0808 -3.9483 PRESSURE: 1523800 -304.876 -46.9318 -2.92112 -46.9329 -402.499 -5.8842 -2.92119 -5.88266 -73.0475 GPRESSURE: 1523800 -326.586 -59.0482 -65.5473 -58.61 -318.89 35.8707 8.72975 -3.21864 -43.159 PRESSAVG: 1523800 5.72299 27.8931 -26.9784 27.8932 -9.41011 -5.65309 -26.9783 -5.65291 -56.1627 GPRESSAVG: 1523800 5.05392 26.8294 -29.3197 27.2432 -8.32038 -5.44258 -25.8936 -4.01057 -56.4484 TIMING: 1523800 CPU: 4590.03, 0.00304349/step Wall: 4590.03, 0.00304349/step, 2.93882 hours remaining, 207.429688 MB of memory in use. ENERGY: 1523800 749.6089 2095.0149 1944.6604 112.4967 -205982.3837 17542.1011 0.0000 0.0000 34305.9392 -149232.5626 299.6023 -183538.5018 -149131.0812 299.1479 -260.1409 -229.5450 560990.8616 -19.9499 -19.9049 PRESSURE: 1524000 115.459 -66.8168 90.0614 -66.8164 83.4602 178.756 90.0603 178.756 -122.025 GPRESSURE: 1524000 156.549 -96.0594 65.6327 -39.2036 82.458 226.909 77.5837 97.2991 -68.4657 PRESSAVG: 1524000 26.2542 52.2297 21.696 52.2296 6.16076 35.4923 21.696 35.4922 -8.12932 GPRESSAVG: 1524000 26.331 51.873 24.0947 53.0667 5.54306 35.2682 20.1315 34.6643 -7.45436 TIMING: 1524000 CPU: 4590.64, 0.00303954/step Wall: 4590.64, 0.00303954/step, 2.93484 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: 1524000 784.2556 2082.1108 1913.4271 115.0140 -206473.3786 18061.6381 0.0000 0.0000 34141.6820 -149375.2507 298.1678 -183516.9328 -149275.5805 299.5734 25.6313 56.8470 559563.9171 8.0952 8.1399 PRESSURE: 1524200 -146.656 -68.6019 -46.0892 -68.6006 -272.966 109.104 -46.0899 109.103 -77.089 GPRESSURE: 1524200 -111.944 -160.559 -74.3726 46.1848 -246.038 73.8142 -7.26694 123.469 -42.3939 PRESSAVG: 1524200 11.0816 -8.82166 -48.1475 -8.82169 -40.4499 77.0471 -48.1476 77.047 39.0336 GPRESSAVG: 1524200 10.732 -6.1924 -50.8129 -11.9296 -39.3729 78.3555 -44.6889 76.8874 38.8666 TIMING: 1524200 CPU: 4591.25, 0.00305559/step Wall: 4591.25, 0.00305559/step, 2.95017 hours remaining, 207.429688 MB of memory in use. ENERGY: 1524200 796.8552 2112.9029 1923.9121 124.0913 -206325.7238 17827.2583 0.0000 0.0000 34177.4343 -149363.2696 298.4800 -183540.7039 -149267.5278 298.1918 -165.5703 -133.4584 558208.0042 3.2218 3.4086 LDB: ============= START OF LOAD BALANCING ============== 4594.77 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4594.77 LDB: =============== DONE WITH MIGRATION ================ 4594.78 LDB: ============= START OF LOAD BALANCING ============== 4595.08 LDB: Largest compute 4800 load 0.032963 is 28.0% of average load 0.117879 LDB: Average compute 0.001730 is 1.5% of average load 0.117879 LDB: TIME 4595.09 LOAD: AVG 0.117879 MAX 0.219154 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.695 MB LDB: TIME 4595.09 LOAD: AVG 0.117879 MAX 0.219154 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.898 MB LDB: TIME 4595.09 LOAD: AVG 0.117879 MAX 0.219154 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.898 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4595.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4595.09 PRESSURE: 1524400 -238.054 56.1754 -51.4621 56.1748 -6.85257 136.62 -51.462 136.621 -163.84 GPRESSURE: 1524400 -240.026 36.5641 -98.5685 35.1766 58.4912 191.074 -120.086 100.87 -137.081 PRESSAVG: 1524400 66.5678 13.4799 -28.263 13.4799 -42.008 13.7418 -28.2631 13.7418 -45.2408 GPRESSAVG: 1524400 66.6 11.0407 -28.1563 15.623 -42.7647 14.1909 -28.9371 12.7802 -44.9401 TIMING: 1524400 CPU: 4591.88, 0.00311522/step Wall: 4591.88, 0.00311522/step, 3.00757 hours remaining, 209.417969 MB of memory in use. ENERGY: 1524400 725.0336 2086.1567 1943.2886 113.2505 -206350.3285 17675.7620 0.0000 0.0000 34358.6064 -149448.2308 300.0623 -183806.8372 -149353.6679 299.0553 -136.2489 -106.2053 558608.7204 -6.8936 -7.0350 PRESSURE: 1524600 -195.145 77.1811 -106.96 77.1795 76.2966 97.5945 -106.961 97.5951 164.444 GPRESSURE: 1524600 -157.981 -0.570463 -145.351 207.059 108.887 103.476 -94.2663 93.0402 197.652 PRESSAVG: 1524600 -35.1133 34.2078 -34.2549 34.2078 39.2267 37.3235 -34.2549 37.3236 -31.3161 GPRESSAVG: 1524600 -34.1938 33.54 -33.023 34.4355 37.9652 34.4447 -36.497 37.6554 -30.7137 TIMING: 1524600 CPU: 4592.48, 0.00304007/step Wall: 4592.48, 0.00304007/step, 2.93485 hours remaining, 209.621094 MB of memory in use. ENERGY: 1524600 770.1055 2048.7736 1942.9094 108.4281 -206489.7198 17959.4782 0.0000 0.0000 34175.0544 -149484.9706 298.4593 -183660.0250 -149385.4546 298.6686 15.1987 49.5194 558256.9748 -9.0675 -8.9808 PRESSURE: 1524800 -556.485 45.1373 155.219 45.1381 -71.8784 150.183 155.218 150.184 -253.568 GPRESSURE: 1524800 -509.822 12.9289 76.4445 75.3214 -33.2255 87.2672 196.878 163.626 -241.649 PRESSAVG: 1524800 23.8605 52.129 43.1986 52.129 13.6073 27.8044 43.1987 27.8045 -25.7074 GPRESSAVG: 1524800 23.1766 54.3062 40.3321 49.799 15.9834 29.9325 45.3726 30.671 -27.3546 TIMING: 1524800 CPU: 4593.09, 0.00301595/step Wall: 4593.09, 0.00301595/step, 2.9114 hours remaining, 209.621094 MB of memory in use. ENERGY: 1524800 804.0224 2050.2103 1909.8546 128.5892 -205656.8751 17337.7032 0.0000 0.0000 34061.0012 -149365.4941 297.4632 -183426.4953 -149266.4735 299.2421 -293.9771 -261.5653 558681.3889 3.9201 3.9352 PRESSURE: 1525000 130.047 28.5854 30.4807 28.5859 207.181 14.8243 30.4806 14.8241 284.823 GPRESSURE: 1525000 143.494 84.474 52.811 -31.2166 278.281 -18.2798 19.0066 105.345 288.041 PRESSAVG: 1525000 -27.0449 7.71599 -9.14483 7.71597 26.5072 69.8518 -9.14479 69.8519 -1.99862 GPRESSAVG: 1525000 -26.3835 6.84612 -8.10934 9.07342 26.5068 70.5988 -10.0829 67.2746 -2.65691 TIMING: 1525000 CPU: 4593.69, 0.00301769/step Wall: 4593.69, 0.00301769/step, 2.91291 hours remaining, 209.621094 MB of memory in use. ENERGY: 1525000 726.5026 2113.4544 1920.0224 122.3569 -206939.1491 18398.4514 0.0000 0.0000 34395.0875 -149263.2737 300.3809 -183658.3612 -149163.3050 299.3985 207.3502 236.6053 558164.7857 -0.8454 -0.8445 PRESSURE: 1525200 -115.481 1.55026 58.3575 1.54753 -44.2979 -121.268 58.3572 -121.269 -199.864 GPRESSURE: 1525200 -104.19 -65.5172 44.8129 62.223 -1.46038 -79.3458 27.6515 -160.892 -160.424 PRESSAVG: 1525200 -9.02093 -0.876097 -7.53526 -0.876108 23.3626 54.7757 -7.53529 54.7757 -32.0945 GPRESSAVG: 1525200 -9.356 0.0249171 -8.05167 -1.12937 22.7212 53.8028 -7.26599 55.9534 -31.4147 TIMING: 1525200 CPU: 4594.3, 0.00302991/step Wall: 4594.3, 0.00302991/step, 2.92453 hours remaining, 209.621094 MB of memory in use. ENERGY: 1525200 719.2158 2058.8565 1933.4112 117.3998 -206134.2995 17649.9154 0.0000 0.0000 34437.5320 -149217.9688 300.7515 -183655.5008 -149124.8043 299.1705 -119.8808 -88.6916 559352.4812 -5.9176 -6.0165 PRESSURE: 1525400 -97.3572 -14.7345 85.4737 -14.7349 -217.002 88.2977 85.4724 88.2961 -210 GPRESSURE: 1525400 -68.0697 -79.4498 50.2334 11.6916 -225.876 52.3838 176.741 98.669 -130.784 PRESSAVG: 1525400 -5.85651 2.27402 -37.7986 2.27391 8.65457 20.6738 -37.7987 20.6738 16.2698 GPRESSAVG: 1525400 -4.7633 0.5538 -35.5145 2.877 7.09009 18.5561 -37.3939 22.3023 16.7995 TIMING: 1525400 CPU: 4594.9, 0.00300035/step Wall: 4594.9, 0.00300035/step, 2.89584 hours remaining, 209.621094 MB of memory in use. ENERGY: 1525400 777.4152 2124.5177 1915.2478 113.7668 -205839.8329 17629.6055 0.0000 0.0000 34216.0795 -149063.2004 298.8175 -183279.2799 -148965.8873 298.9667 -174.7865 -141.5765 558493.0480 6.3560 6.3754 PRESSURE: 1525600 -75.9592 -54.4947 83.1658 -54.4947 72.0143 -145.612 83.1665 -145.614 62.5469 GPRESSURE: 1525600 -49.7527 -23.7741 121.021 -50.3228 105.096 -171.95 51.6672 -77.1405 108.274 PRESSAVG: 1525600 -85.5421 15.2442 56.227 15.2442 -10.9615 -0.200774 56.2271 -0.200941 74.1538 GPRESSAVG: 1525600 -86.7046 15.3845 55.8824 16.1519 -9.65224 1.59845 56.4522 -2.32333 73.6619 TIMING: 1525600 CPU: 4595.5, 0.00302139/step Wall: 4595.5, 0.00302139/step, 2.91598 hours remaining, 209.621094 MB of memory in use. ENERGY: 1525600 718.3897 2075.3902 1902.3872 109.1363 -205990.9051 17830.7212 0.0000 0.0000 34280.2390 -149074.6414 299.3779 -183354.8804 -148969.6006 300.5308 19.5340 54.5389 558512.5462 -7.4499 -7.5650 PRESSURE: 1525800 33.4471 -26.8674 -71.1787 -26.8661 -143.193 -124.813 -71.1784 -124.812 -178.342 GPRESSURE: 1525800 -8.81923 75.3887 -160.556 -86.5277 -84.4184 -167.972 -70.3133 -163.562 -107.661 PRESSAVG: 1525800 9.94603 -30.8642 -11.2497 -30.8642 -19.0913 -10.1054 -11.2496 -10.1054 15.7609 GPRESSAVG: 1525800 10.3507 -28.8312 -11.8323 -33.5398 -18.6575 -9.03572 -13.1892 -10.6598 15.2817 TIMING: 1525800 CPU: 4596.11, 0.00305669/step Wall: 4596.11, 0.00305669/step, 2.94987 hours remaining, 209.746094 MB of memory in use. ENERGY: 1525800 727.4456 2108.3173 1897.9057 121.6443 -205818.3968 17523.7729 0.0000 0.0000 34335.7182 -149103.5928 299.8624 -183439.3110 -149005.9057 299.9094 -96.0295 -66.9662 557872.6178 2.2052 2.3250 PRESSURE: 1526000 -294.416 -58.064 -75.2891 -58.0625 -143.947 -90.7617 -75.2879 -90.763 171.226 GPRESSURE: 1526000 -252.782 -26.6805 -66.1869 13.2672 -95.768 -41.7086 -76.0847 -140.927 167.993 PRESSAVG: 1526000 -53.2625 -1.24144 -34.4524 -1.2415 -60.7098 26.5696 -34.4524 26.5696 92.4982 GPRESSAVG: 1526000 -52.9674 -2.50122 -33.7658 -0.75296 -60.9192 25.8321 -33.8254 26.1043 91.8604 TIMING: 1526000 CPU: 4596.72, 0.00305792/step Wall: 4596.72, 0.00305792/step, 2.95089 hours remaining, 209.746094 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: 1526000 726.5947 2117.2718 1928.8755 122.4247 -205252.0885 17173.0151 0.0000 0.0000 34102.7631 -149081.1435 297.8279 -183183.9066 -148986.4813 299.7260 -89.0457 -60.1857 556794.1448 -7.1580 -7.3421 PRESSURE: 1526200 65.3625 75.9352 -5.14909 75.9354 336.629 126.581 -5.14928 126.58 272.511 GPRESSURE: 1526200 92.1463 50.1109 68.6106 -31.9901 367.984 177.052 -7.32099 89.4947 330.584 PRESSAVG: 1526200 -25.1339 -11.5138 -54.7472 -11.5138 -45.2415 10.4831 -54.7472 10.4831 65.5463 GPRESSAVG: 1526200 -26.7549 -11.9094 -55.7715 -11.2428 -44.8017 11.8735 -51.4882 10.6083 66.1599 TIMING: 1526200 CPU: 4597.33, 0.00305096/step Wall: 4597.33, 0.00305096/step, 2.94401 hours remaining, 209.746094 MB of memory in use. ENERGY: 1526200 735.7338 2093.2620 1929.8958 106.6747 -206424.6925 18082.0829 0.0000 0.0000 34210.5426 -149266.5007 298.7692 -183477.0433 -149167.5366 298.7958 224.8343 263.5716 556321.7861 -1.6097 -1.7989 PRESSURE: 1526400 100.752 -173.31 2.16083 -173.31 56.2364 -56.3778 2.15962 -56.3745 -42.2507 GPRESSURE: 1526400 143.104 -191.275 -27.4234 -198.343 23.5191 -42.4344 42.6982 -107.491 52.9878 PRESSAVG: 1526400 43.1094 -44.7079 -3.75744 -44.7079 -54.0549 -5.42655 -3.75748 -5.42658 -3.98754 GPRESSAVG: 1526400 43.4208 -41.3339 -4.0643 -45.7797 -55.1498 -4.60074 -5.77721 -6.65027 -3.64413 TIMING: 1526400 CPU: 4597.94, 0.00303874/step Wall: 4597.94, 0.00303874/step, 2.93204 hours remaining, 209.746094 MB of memory in use. ENERGY: 1526400 758.9852 2083.7681 1938.2334 112.3422 -205919.9083 17712.1546 0.0000 0.0000 34138.1357 -149176.2891 298.1368 -183314.4248 -149082.6303 299.1289 38.2460 73.2035 557823.6969 -4.9777 -5.1244 PRESSURE: 1526600 -162.489 -33.341 -88.1485 -33.3422 -42.0109 -18.0923 -88.1479 -18.0924 -42.619 GPRESSURE: 1526600 -126.079 -34.3543 -20.4465 1.23239 49.8533 -95.5677 -144.226 38.9927 -63.1362 PRESSAVG: 1526600 13.3559 -23.464 -21.4838 -23.4639 -21.3279 -18.7045 -21.4837 -18.7045 -2.13499 GPRESSAVG: 1526600 12.5372 -24.9944 -22.1013 -21.1944 -19.9957 -19.7757 -20.6552 -16.0921 -2.9602 TIMING: 1526600 CPU: 4598.55, 0.0030574/step Wall: 4598.55, 0.0030574/step, 2.94988 hours remaining, 209.746094 MB of memory in use. ENERGY: 1526600 725.6666 2074.7532 1917.7447 112.4898 -206258.3546 17862.8087 0.0000 0.0000 34327.2177 -149237.6740 299.7881 -183564.8917 -149145.8489 299.0676 -82.3729 -46.4538 557587.5265 -3.3690 -3.4729 PRESSURE: 1526800 -176.254 23.6427 -19.5358 23.6418 74.9145 68.5095 -19.536 68.5083 98.2772 GPRESSURE: 1526800 -164.059 -1.36381 -10.172 9.5779 100.877 65.4331 -74.6419 62.9674 145.329 PRESSAVG: 1526800 29.4708 -49.6411 -26.1966 -49.6411 -27.5956 -25.3852 -26.1966 -25.385 -15.3926 GPRESSAVG: 1526800 29.3749 -49.0981 -26.7368 -51.3731 -28.3083 -25.0873 -24.6952 -25.4673 -14.3117 TIMING: 1526800 CPU: 4599.17, 0.00308033/step Wall: 4599.17, 0.00308033/step, 2.97183 hours remaining, 209.746094 MB of memory in use. ENERGY: 1526800 742.2615 2147.0402 1908.6358 111.4826 -205905.7846 17738.1169 0.0000 0.0000 34139.9575 -149118.2902 298.1527 -183258.2477 -149024.1989 298.8856 -1.0206 27.3820 556885.2611 -4.5058 -4.4150 PRESSURE: 1527000 268.845 98.7669 -73.3616 98.7672 58.9932 71.6766 -73.3614 71.6746 316.142 GPRESSURE: 1527000 237.061 178.89 -95.0137 53.852 158.838 41.5914 10.3223 52.2829 350.279 PRESSAVG: 1527000 1.15387 1.39457 -39.0458 1.39453 -76.1713 -9.64388 -39.0457 -9.64395 38.7876 GPRESSAVG: 1527000 1.88069 1.4308 -36.6407 0.970014 -76.8475 -9.756 -40.8216 -10.8167 38.4306 TIMING: 1527000 CPU: 4599.78, 0.00304452/step Wall: 4599.78, 0.00304452/step, 2.93711 hours remaining, 209.746094 MB of memory in use. ENERGY: 1527000 737.4156 2130.6905 1921.2544 106.5527 -206189.5225 17944.9116 0.0000 0.0000 34272.7626 -149075.9351 299.3126 -183348.6977 -148980.0843 299.6602 214.6600 248.7257 556334.9836 -12.0766 -12.1787 PRESSURE: 1527200 62.2355 1.79069 67.993 1.78968 -131.64 -67.2112 67.9931 -67.2119 -60.4314 GPRESSURE: 1527200 105.516 -56.1386 53.1854 99.8667 -88.3789 -86.6041 38.6186 40.6322 -66.08 PRESSAVG: 1527200 39.1791 47.8699 16.3148 47.8699 5.18498 -29.3323 16.3148 -29.3323 -36.6066 GPRESSAVG: 1527200 38.6989 46.1712 15.2346 50.1928 4.47363 -31.1049 16.4795 -27.1895 -36.3868 TIMING: 1527200 CPU: 4600.39, 0.0030584/step Wall: 4600.39, 0.0030584/step, 2.95034 hours remaining, 209.746094 MB of memory in use. ENERGY: 1527200 739.5857 2105.5349 1934.8750 112.4677 -206208.1832 17667.0598 0.0000 0.0000 34501.5248 -149147.1353 301.3104 -183648.6601 -149053.7870 300.1494 -43.2785 -16.3143 555905.2128 2.5858 2.2619 PRESSURE: 1527400 -125.209 85.4708 45.1483 85.4721 25.8464 59.7611 45.1459 59.7631 -21.085 GPRESSURE: 1527400 -29.1264 50.3256 25.1295 21.0427 40.7026 35.9494 134.954 -9.91556 -39.2331 PRESSAVG: 1527400 47.5289 19.5605 -15.9035 19.5605 -38.009 61.7255 -15.9035 61.7255 1.15749 GPRESSAVG: 1527400 47.9872 20.8624 -16.8739 19.4211 -37.4577 65.4588 -15.9064 58.739 0.551424 TIMING: 1527400 CPU: 4601, 0.00305901/step Wall: 4601, 0.00305901/step, 2.95075 hours remaining, 209.746094 MB of memory in use. ENERGY: 1527400 739.2569 2148.6185 1917.5448 114.1354 -205804.0807 17647.7131 0.0000 0.0000 34131.0562 -149105.7557 298.0750 -183236.8119 -149015.6956 299.7085 -40.1492 -9.2189 556561.5349 3.5591 3.6937 PRESSURE: 1527600 189.346 -200.853 -83.8336 -200.854 137.556 15.921 -83.8349 15.9182 22.7979 GPRESSURE: 1527600 268.318 -152.575 -83.5718 -168.874 156.656 70.8809 -46.6653 -48.5085 12.8526 PRESSAVG: 1527600 35.4694 -10.815 25.1161 -10.815 -18.9508 20.5097 25.1161 20.5097 -21.5722 GPRESSAVG: 1527600 36.3174 -11.3046 27.9526 -11.0891 -19.2993 20.1358 22.6781 22.8673 -21.6712 TIMING: 1527600 CPU: 4601.62, 0.0030721/step Wall: 4601.62, 0.0030721/step, 2.96321 hours remaining, 209.746094 MB of memory in use. ENERGY: 1527600 768.7481 2108.4276 1941.2533 110.5060 -205949.9189 17741.1649 0.0000 0.0000 34228.1456 -149051.6733 298.9229 -183279.8189 -148953.7930 299.6661 116.5668 145.9424 555877.6832 -1.6845 -1.5510 PRESSURE: 1527800 -190.795 11.7334 -150.003 11.7345 -216.336 117.984 -150.004 117.983 38.9733 GPRESSURE: 1527800 -181.11 -39.9356 -133.405 -59.3626 -141.223 93.1781 -123.15 67.2668 50.5263 PRESSAVG: 1527800 36.9625 -26.582 -62.2815 -26.582 6.66937 80.0936 -62.2816 80.0936 -38.1948 GPRESSAVG: 1527800 35.6295 -25.9384 -64.818 -28.0192 7.21187 77.6275 -60.1861 81.762 -36.9235 TIMING: 1527800 CPU: 4602.23, 0.00306199/step Wall: 4602.23, 0.00306199/step, 2.95329 hours remaining, 209.746094 MB of memory in use. ENERGY: 1527800 769.2332 2114.6105 1946.9418 118.7476 -205790.1254 17627.3904 0.0000 0.0000 34252.9551 -148960.2467 299.1396 -183213.2019 -148864.7779 299.4759 -122.7195 -90.6021 558066.2638 1.8123 1.9726 PRESSURE: 1528000 94.6164 -38.0992 -185.129 -38.0988 62.5226 112.077 -185.128 112.076 154.127 GPRESSURE: 1528000 137.666 -13.5116 -126.597 4.78884 45.887 52.7279 -241.969 190.277 207.621 PRESSAVG: 1528000 12.7684 31.0863 -52.2751 31.0862 -23.3885 89.2876 -52.2751 89.2876 65.3317 GPRESSAVG: 1528000 13.2178 31.4035 -49.9339 33.3029 -22.0131 92.0515 -54.1184 86.1796 63.6089 TIMING: 1528000 CPU: 4602.84, 0.00305589/step Wall: 4602.84, 0.00305589/step, 2.94724 hours remaining, 209.746094 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: 1528000 755.7905 2133.9724 1915.2489 117.1295 -205821.5446 17703.2715 0.0000 0.0000 34356.2624 -148839.8694 300.0418 -183196.1318 -148742.1801 300.4387 103.7555 130.3915 556731.9396 18.2372 18.2712 PRESSURE: 1528200 -266.332 -13.3068 -24.4624 -13.3067 143.068 -14.0756 -24.463 -14.0745 -135.512 GPRESSURE: 1528200 -252.363 52.5778 -31.8077 -78.2124 213.889 -13.5804 -124.96 10.0641 -130.031 PRESSAVG: 1528200 -59.4113 1.98141 1.72646 1.98141 59.7106 15.1404 1.72651 15.1404 12.2452 GPRESSAVG: 1528200 -58.7622 0.82152 -0.0332888 1.50041 59.3441 12.9349 3.25458 15.4514 12.2753 TIMING: 1528200 CPU: 4603.45, 0.0030473/step Wall: 4603.45, 0.0030473/step, 2.93878 hours remaining, 209.746094 MB of memory in use. ENERGY: 1528200 766.0044 2115.1315 1904.1911 108.4436 -205817.5203 17730.4307 0.0000 0.0000 34484.7398 -148708.5792 301.1638 -183193.3190 -148606.6921 301.0229 -86.2588 -56.1682 558316.9753 4.1815 4.2857 LDB: ============= START OF LOAD BALANCING ============== 4606.97 LDB: ============== END OF LOAD BALANCING =============== 4606.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4606.97 LDB: ============= START OF LOAD BALANCING ============== 4607.27 LDB: Largest compute 4800 load 0.032245 is 27.4% of average load 0.117860 LDB: Average compute 0.001733 is 1.5% of average load 0.117860 LDB: TIME 4607.27 LOAD: AVG 0.11786 MAX 0.216791 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.848 MB LDB: TIME 4607.28 LOAD: AVG 0.11786 MAX 0.216791 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.918 MB LDB: TIME 4607.28 LOAD: AVG 0.11786 MAX 0.216791 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.918 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4607.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4607.28 PRESSURE: 1528400 60.8943 -51.1865 222.661 -51.1868 -26.7125 -108.534 222.661 -108.534 111.793 GPRESSURE: 1528400 101.432 49.8769 180.875 -69.1716 -25.3147 -154.029 120.295 -97.9479 174.253 PRESSAVG: 1528400 49.5892 0.129969 -19.2783 0.129973 -15.6015 -12.635 -19.2783 -12.6351 -26.8785 GPRESSAVG: 1528400 49.594 -0.385934 -17.0647 0.569612 -15.1357 -14.4624 -18.3335 -11.2464 -27.1907 TIMING: 1528400 CPU: 4604.07, 0.00308675/step Wall: 4604.07, 0.00308675/step, 2.97666 hours remaining, 208.015625 MB of memory in use. ENERGY: 1528400 775.1763 2137.0705 1917.9076 129.3475 -206446.4364 17989.9050 0.0000 0.0000 34812.7340 -148684.2954 304.0283 -183497.0295 -148584.9984 301.5027 48.6583 83.4568 557754.2698 2.3697 2.4225 PRESSURE: 1528600 123.408 75.7666 -42.6647 75.7674 0.555381 -92.4009 -42.6645 -92.4004 348.192 GPRESSURE: 1528600 222.697 21.0934 -66.033 78.3187 6.71559 -70.1095 -57.1104 -164.219 347.798 PRESSAVG: 1528600 -35.6515 52.7111 35.9271 52.7112 -39.7515 5.40508 35.9272 5.40509 47.1752 GPRESSAVG: 1528600 -37.1266 52.7127 34.6526 52.6501 -39.8725 7.11478 36.4303 3.21032 48.4276 TIMING: 1528600 CPU: 4604.68, 0.00304751/step Wall: 4604.68, 0.00304751/step, 2.93864 hours remaining, 208.218750 MB of memory in use. ENERGY: 1528600 773.0537 2104.3980 1941.6617 117.9700 -205881.3601 17975.2700 0.0000 0.0000 34130.9458 -148838.0609 298.0740 -182969.0067 -148742.3436 300.7083 157.3849 192.4035 557809.9731 -9.4092 -9.5238 PRESSURE: 1528800 14.1341 2.01813 -260.448 2.01881 -66.2898 29.6156 -260.448 29.6174 -131.395 GPRESSURE: 1528800 16.8699 -13.4697 -181.31 21.1049 -12.7164 77.0501 -284.97 31.4949 -110.216 PRESSAVG: 1528800 -14.4422 -8.42434 35.6359 -8.42438 -0.53868 42.4543 35.6359 42.4543 8.28534 GPRESSAVG: 1528800 -13.7227 -8.1367 35.5866 -8.01622 -0.860195 43.0685 37.7754 42.9947 7.6356 TIMING: 1528800 CPU: 4605.28, 0.00303894/step Wall: 4605.28, 0.00303894/step, 2.93021 hours remaining, 208.218750 MB of memory in use. ENERGY: 1528800 705.4942 2110.2317 1903.7145 104.8390 -205684.0569 17526.0597 0.0000 0.0000 34292.5017 -149041.2162 299.4849 -183333.7179 -148941.8493 299.4821 -61.1836 -35.3541 557636.4514 -2.2318 -2.3158 PRESSURE: 1529000 208.476 -24.0931 -116.323 -24.0926 281.252 -20.1905 -116.322 -20.1892 14.1366 GPRESSURE: 1529000 253.004 -33.6694 -143.633 1.76043 301.498 -26.5852 -64.609 11.8419 53.9847 PRESSAVG: 1529000 48.2458 28.4253 -30.6808 28.4253 -7.41924 -7.50534 -30.6808 -7.50534 -88.9518 GPRESSAVG: 1529000 47.9827 28.9799 -32.1102 26.9459 -7.16643 -7.48677 -32.9759 -8.44103 -88.946 TIMING: 1529000 CPU: 4605.9, 0.00308799/step Wall: 4605.9, 0.00308799/step, 2.97733 hours remaining, 208.218750 MB of memory in use. ENERGY: 1529000 752.6424 2132.0805 1913.6049 117.3829 -206215.8708 18113.8246 0.0000 0.0000 34338.2411 -148848.0943 299.8844 -183186.3354 -148753.1890 300.2331 167.9550 202.8289 557039.3812 -16.0417 -16.0433 PRESSURE: 1529200 35.4561 -22.7049 114.707 -22.7041 -230.34 -11.3885 114.707 -11.389 -15.4735 GPRESSURE: 1529200 103.336 -22.7743 183.278 -78.8952 -222.004 -46.6542 15.2346 -2.21304 -4.11674 PRESSAVG: 1529200 -6.30651 36.9578 -17.2888 36.9579 -26.7972 -40.4019 -17.2888 -40.4018 25.3455 GPRESSAVG: 1529200 -6.67456 36.5871 -14.891 39.3313 -27.8029 -40.1865 -17.3886 -38.7159 26.5304 TIMING: 1529200 CPU: 4606.52, 0.00309705/step Wall: 4606.52, 0.00309705/step, 2.9859 hours remaining, 208.414062 MB of memory in use. ENERGY: 1529200 785.9424 2160.4127 1915.3246 123.1048 -206026.9504 17588.2295 0.0000 0.0000 34601.3644 -148852.5720 302.1823 -183453.9364 -148760.4786 300.0512 -70.1193 -40.9282 557196.7385 -2.5861 -2.6490 PRESSURE: 1529400 -192.063 -77.7265 -193.547 -77.7267 -137.357 135.588 -193.547 135.59 -297.12 GPRESSURE: 1529400 -180.7 -86.75 -99.2144 -36.878 -59.3334 150.896 -263.516 156.142 -289.872 PRESSAVG: 1529400 -12.3455 48.2359 -11.7103 48.2359 51.3977 -5.71725 -11.7104 -5.7172 -54.0981 GPRESSAVG: 1529400 -12.6315 49.2618 -13.6229 45.6204 51.9521 -5.18686 -11.435 -3.5315 -54.0026 TIMING: 1529400 CPU: 4607.13, 0.00305223/step Wall: 4607.13, 0.00305223/step, 2.94252 hours remaining, 208.414062 MB of memory in use. ENERGY: 1529400 767.7021 2107.9053 1936.4021 120.9334 -205612.9620 17399.9262 0.0000 0.0000 34326.7089 -148953.3842 299.7837 -183280.0931 -148853.0474 300.3960 -208.8464 -176.6353 557341.1882 -5.0153 -4.8940 PRESSURE: 1529600 185.559 -163.822 63.6339 -163.821 220.528 15.5622 63.6343 15.564 90.9409 GPRESSURE: 1529600 238.208 -155.054 10.7005 -170.336 227.498 -77.6564 135.758 26.614 120.88 PRESSAVG: 1529600 -12.1532 -54.2032 7.00633 -54.2032 -17.1216 20.4903 7.00631 20.4903 23.0484 GPRESSAVG: 1529600 -12.0113 -54.1835 7.00152 -55.3314 -17.4294 19.0467 6.36296 20.107 23.3153 TIMING: 1529600 CPU: 4607.74, 0.00303945/step Wall: 4607.74, 0.00303945/step, 2.93003 hours remaining, 208.414062 MB of memory in use. ENERGY: 1529600 735.8535 2092.1735 1956.3170 115.4132 -206033.4463 18007.2940 0.0000 0.0000 34176.5407 -148949.8544 298.4722 -183126.3952 -148861.5653 300.7801 165.6758 195.5284 557173.8224 -2.0755 -2.0418 PRESSURE: 1529800 -6.66719 -10.6487 9.81412 -10.649 29.0238 -73.4182 9.81383 -73.418 -45.4384 GPRESSURE: 1529800 38.1033 -52.4257 -31.7416 -8.03793 65.2125 -128.776 -38.0169 8.0903 -34.7989 PRESSAVG: 1529800 0.789673 2.54043 -8.4585 2.54043 39.6142 -21.671 -8.45861 -21.671 -58.6342 GPRESSAVG: 1529800 1.98114 2.83986 -5.52103 4.27678 39.5478 -20.4563 -9.0722 -22.5188 -58.8873 TIMING: 1529800 CPU: 4608.35, 0.00304393/step Wall: 4608.35, 0.00304393/step, 2.93418 hours remaining, 208.414062 MB of memory in use. ENERGY: 1529800 711.4496 2103.3093 1921.4800 110.3083 -206029.3798 17655.8519 0.0000 0.0000 34316.5742 -149210.4064 299.6952 -183526.9806 -149118.0686 299.6606 -7.6939 22.8389 557651.2210 -6.0768 -5.7861 PRESSURE: 1530000 -469.585 9.31083 -59.8384 9.30869 -465.907 -40.0926 -59.8386 -40.0918 87.369 GPRESSURE: 1530000 -437.076 106.769 -125.366 -58.3489 -427.3 -170.311 2.25685 -39.6954 111.343 PRESSAVG: 1530000 -29.249 -27.9966 -53.1845 -27.9965 -50.6321 -67.795 -53.1845 -67.7949 77.5736 GPRESSAVG: 1530000 -31.0821 -24.964 -55.4303 -28.9914 -49.6193 -68.3776 -52.3861 -69.2554 78.0499 TIMING: 1530000 CPU: 4608.96, 0.0030483/step Wall: 4608.96, 0.0030483/step, 2.93822 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: 1530000 782.6123 2107.0699 1933.2058 115.2253 -205749.2104 17623.4875 0.0000 0.0000 33980.2957 -149207.3138 296.7584 -183187.6095 -149113.0391 298.9611 -282.7077 -251.0108 559338.9072 -0.7691 -0.8838 PRESSURE: 1530200 -105.487 -72.7473 -144.533 -72.7468 -35.1874 -21.546 -144.534 -21.5467 -37.7854 GPRESSURE: 1530200 -81.6317 -152.072 -24.545 -22.285 -10.5274 -41.5757 -87.2474 56.5317 7.71282 PRESSAVG: 1530200 -39.712 3.94238 -36.5673 3.94236 -9.56195 41.1528 -36.5673 41.1528 43.3166 GPRESSAVG: 1530200 -39.4317 0.419562 -36.8117 4.72912 -9.29092 41.1302 -36.7847 40.6364 42.9083 TIMING: 1530200 CPU: 4609.57, 0.00304548/step Wall: 4609.57, 0.00304548/step, 2.93534 hours remaining, 208.414062 MB of memory in use. ENERGY: 1530200 788.3939 2074.5045 1929.9768 117.5234 -206174.5946 17650.1280 0.0000 0.0000 34440.5619 -149173.5061 300.7780 -183614.0681 -149084.3071 298.6083 -59.4865 -28.1487 557451.7403 -1.9858 -1.9381 PRESSURE: 1530400 -203.06 -21.4553 -123.274 -21.4539 -104.448 87.1759 -123.273 87.1759 -251.004 GPRESSURE: 1530400 -144.91 -89.6742 -133.347 -63.3764 -72.3548 145.044 -133.16 51.2998 -250.976 PRESSAVG: 1530400 -61.1655 20.7811 -31.4597 20.781 -15.173 -11.9082 -31.4597 -11.9082 36.1624 GPRESSAVG: 1530400 -60.319 21.6838 -32.2785 19.622 -16.4696 -11.1635 -27.4683 -10.1052 36.5439 TIMING: 1530400 CPU: 4610.18, 0.00305392/step Wall: 4610.18, 0.00305392/step, 2.9433 hours remaining, 208.414062 MB of memory in use. ENERGY: 1530400 738.2671 2040.8967 1944.7136 112.8484 -205893.3229 17580.6412 0.0000 0.0000 34213.8840 -149262.0720 298.7984 -183475.9559 -149162.9817 299.0243 -186.1710 -156.0802 559368.5290 -13.3920 -13.4149 PRESSURE: 1530600 -159.122 -134.639 138.235 -134.639 -144.343 12.62 138.234 12.6193 -165.142 GPRESSURE: 1530600 -101.141 -118.894 154.797 -127.914 -163.076 74.6313 141.418 9.11297 -115.299 PRESSAVG: 1530600 7.3362 -8.03407 -36.1292 -8.03402 -74.9901 21.2173 -36.1292 21.2172 72.0007 GPRESSAVG: 1530600 6.92448 -9.67378 -33.8269 -8.71391 -74.3619 22.5128 -38.6793 21.1744 71.9228 TIMING: 1530600 CPU: 4610.78, 0.00303414/step Wall: 4610.78, 0.00303414/step, 2.92407 hours remaining, 208.414062 MB of memory in use. ENERGY: 1530600 738.4430 2087.8401 1915.6289 125.2194 -205878.5512 17667.6074 0.0000 0.0000 34151.5730 -149192.2394 298.2542 -183343.8124 -149092.4329 299.1567 -156.2024 -126.5049 558892.2066 1.4489 1.4951 PRESSURE: 1530800 -175.253 -13.6055 -42.4688 -13.606 23.3482 175.871 -42.4673 175.873 35.1323 GPRESSURE: 1530800 -168.007 115.956 62.5084 -2.47146 122.597 182.44 -118.539 170.926 16.9841 PRESSAVG: 1530800 -39.96 -41.1353 -67.3812 -41.1354 2.10875 -16.0287 -67.3812 -16.0288 11.0603 GPRESSAVG: 1530800 -39.7457 -42.6921 -67.2745 -38.3573 2.50168 -18.1251 -66.4602 -16.3399 10.2195 TIMING: 1530800 CPU: 4611.39, 0.00302981/step Wall: 4611.39, 0.00302981/step, 2.91973 hours remaining, 208.414062 MB of memory in use. ENERGY: 1530800 760.2100 2071.6615 1938.1514 113.9638 -206069.2660 17781.8079 0.0000 0.0000 34111.4806 -149291.9908 297.9040 -183403.4714 -149186.8124 298.5714 -38.9243 -9.4752 558571.1151 -8.9303 -9.0082 PRESSURE: 1531000 301.257 -1.3823 72.9965 -1.38141 13.4095 84.3935 72.9956 84.3944 -223.369 GPRESSURE: 1531000 329.113 -28.6979 82.3125 2.73498 40.5588 -2.88258 91.9752 66.6513 -193.679 PRESSAVG: 1531000 15.1935 39.9818 -39.0785 39.9818 -10.0425 -11.1352 -39.0787 -11.1352 -41.3372 GPRESSAVG: 1531000 14.913 41.2191 -39.2476 40.9148 -9.31389 -13.1645 -40.1201 -9.46611 -41.8941 TIMING: 1531000 CPU: 4611.99, 0.00302747/step Wall: 4611.99, 0.00302747/step, 2.9173 hours remaining, 208.414062 MB of memory in use. ENERGY: 1531000 719.4220 2128.7035 1937.4521 120.5375 -206380.9327 17942.2151 0.0000 0.0000 34186.1857 -149346.4168 298.5565 -183532.6026 -149248.4854 298.7049 30.4324 58.6641 558649.4873 -12.0621 -12.0983 PRESSURE: 1531200 -40.8965 10.6705 206.4 10.6703 -248.893 41.2959 206.4 41.2973 -220.151 GPRESSURE: 1531200 -33.5871 13.6628 151.406 -17.5607 -267.247 -32.3711 203.65 95.3923 -107.847 PRESSAVG: 1531200 -10.3744 -19.2909 37.8536 -19.2909 -20.7238 -0.990144 37.8536 -0.990227 8.79965 GPRESSAVG: 1531200 -10.853 -19.2425 36.8753 -20.2795 -21.6162 0.151108 39.4532 -1.4994 10.4862 TIMING: 1531200 CPU: 4612.61, 0.00306193/step Wall: 4612.61, 0.00306193/step, 2.95034 hours remaining, 208.414062 MB of memory in use. ENERGY: 1531200 761.1670 2160.3797 1933.0654 129.7318 -205969.4449 17700.5093 0.0000 0.0000 34021.2928 -149263.2989 297.1164 -183284.5918 -149174.5306 298.4832 -169.9803 -136.2271 559141.6121 -7.4328 -7.3277 PRESSURE: 1531400 19.7673 80.0108 -61.6327 80.0103 4.84185 93.1956 -61.634 93.1953 -56.0228 GPRESSURE: 1531400 49.8141 88.2241 -17.716 118.268 59.846 133.032 -0.780432 119.863 -48.9136 PRESSAVG: 1531400 -36.3985 -0.347862 -39.1002 -0.347827 2.19507 8.39606 -39.1002 8.39601 41.151 GPRESSAVG: 1531400 -35.393 -0.754881 -41.1256 0.574324 1.18467 11.1116 -39.2725 5.5805 41.2452 TIMING: 1531400 CPU: 4613.22, 0.00304976/step Wall: 4613.22, 0.00304976/step, 2.93844 hours remaining, 208.414062 MB of memory in use. ENERGY: 1531400 731.5983 2107.5267 1906.4993 122.9075 -205945.1848 17750.1323 0.0000 0.0000 34088.2855 -149238.2352 297.7015 -183326.5207 -149143.9451 299.0578 -10.4712 20.2488 557890.9624 2.3158 2.3456 PRESSURE: 1531600 -169.211 92.429 69.8752 92.4288 89.4263 -81.5996 69.8767 -81.5978 -287.797 GPRESSURE: 1531600 -96.5675 13.5226 61.8681 146.321 98.5833 -86.6756 90.4618 -55.862 -262.534 PRESSAVG: 1531600 -9.7475 7.71948 51.7053 7.71948 -3.39772 -34.1712 51.7053 -34.1712 28.0973 GPRESSAVG: 1531600 -10.7109 9.67247 53.959 5.02259 -1.48337 -35.9595 51.146 -33.3529 27.2381 TIMING: 1531600 CPU: 4613.83, 0.00304236/step Wall: 4613.83, 0.00304236/step, 2.93115 hours remaining, 208.414062 MB of memory in use. ENERGY: 1531600 759.0176 2068.9841 1921.7875 116.2752 -205766.6258 17643.6300 0.0000 0.0000 33984.6496 -149272.2818 296.7964 -183256.9314 -149176.7704 298.7540 -122.5272 -86.8395 557993.9613 4.9840 5.0146 PRESSURE: 1531800 -78.3947 -170.564 19.8163 -170.565 78.5151 63.8335 19.815 63.8334 -80.463 GPRESSURE: 1531800 -36.2661 -183.588 58.0011 -223.727 122.394 -41.8233 -17.1483 179.203 -64.0729 PRESSAVG: 1531800 17.3529 -38.3494 45.8702 -38.3496 -3.5812 44.4814 45.8702 44.4812 -71.4669 GPRESSAVG: 1531800 18.3415 -38.4326 45.7623 -37.538 -4.583 42.5531 46.358 47.5115 -71.8324 TIMING: 1531800 CPU: 4614.43, 0.00302986/step Wall: 4614.43, 0.00302986/step, 2.91893 hours remaining, 208.414062 MB of memory in use. ENERGY: 1531800 728.6591 2099.0949 1922.6415 119.0390 -206294.6835 17739.7311 0.0000 0.0000 34388.5012 -149297.0168 300.3233 -183685.5180 -149198.2774 298.8615 -26.7809 7.3516 557626.9879 -19.2317 -19.3580 PRESSURE: 1532000 200.263 6.59404 120.903 6.59578 -38.0094 -155.269 120.903 -155.27 -287.531 GPRESSURE: 1532000 189.77 59.7152 112.055 -59.6949 17.9111 -105.539 131.225 -186.823 -246.394 PRESSAVG: 1532000 -27.4471 -47.3835 72.6253 -47.3835 -42.0789 -11.1284 72.6253 -11.1284 59.7222 GPRESSAVG: 1532000 -28.7964 -47.1148 72.9259 -48.1008 -41.3734 -8.76993 72.0676 -14.6891 60.2861 TIMING: 1532000 CPU: 4615.04, 0.00302584/step Wall: 4615.04, 0.00302584/step, 2.9149 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: 1532000 753.6911 2079.1302 1922.1241 119.0265 -206182.9849 17711.6240 0.0000 0.0000 34272.5362 -149324.8529 299.3106 -183597.3891 -149229.0223 298.4079 -41.7589 -12.9041 556559.7857 -3.2680 -3.2945 PRESSURE: 1532200 -373.693 -4.78004 -108.188 -4.77997 37.1155 103.667 -108.187 103.667 -189.285 GPRESSURE: 1532200 -380.242 95.3758 -129.292 -139.545 68.8175 154.666 -116.138 163.737 -127.312 PRESSAVG: 1532200 -29.7735 8.00032 -0.537303 8.00045 18.4475 11.2705 -0.537316 11.2704 16.5283 GPRESSAVG: 1532200 -29.3354 6.42833 0.450639 9.07615 18.0506 9.48274 -2.60292 13.9113 15.8337 TIMING: 1532200 CPU: 4615.64, 0.00301731/step Wall: 4615.64, 0.00301731/step, 2.90651 hours remaining, 208.414062 MB of memory in use. ENERGY: 1532200 767.1112 2062.8780 1919.4818 106.4888 -206064.3419 17568.4157 0.0000 0.0000 34289.7928 -149350.1735 299.4613 -183639.9663 -149246.3627 299.1514 -175.2873 -146.2456 558820.3519 1.7341 1.5163 LDB: ============= START OF LOAD BALANCING ============== 4619.16 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4619.16 LDB: =============== DONE WITH MIGRATION ================ 4619.16 LDB: ============= START OF LOAD BALANCING ============== 4619.46 LDB: Largest compute 4800 load 0.032584 is 27.6% of average load 0.117900 LDB: Average compute 0.001738 is 1.5% of average load 0.117900 LDB: TIME 4619.47 LOAD: AVG 0.1179 MAX 0.215251 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.652 MB LDB: TIME 4619.47 LOAD: AVG 0.1179 MAX 0.215251 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.855 MB LDB: TIME 4619.47 LOAD: AVG 0.1179 MAX 0.215251 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.855 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4619.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4619.47 PRESSURE: 1532400 -127.429 -65.4786 -36.4187 -65.4777 -44.4306 69.3388 -36.4173 69.3391 -22.3824 GPRESSURE: 1532400 -110.618 35.9965 -8.252 -75.0637 -14.4274 56.9588 -54.3884 105.367 7.83948 PRESSAVG: 1532400 -8.40016 11.7533 -2.73153 11.7533 -29.0498 63.7397 -2.73153 63.7396 31.958 GPRESSAVG: 1532400 -8.17888 12.871 -2.56682 12.1537 -27.9912 64.3203 -1.79331 61.9597 31.2426 TIMING: 1532400 CPU: 4616.26, 0.00307667/step Wall: 4616.26, 0.00307667/step, 2.96352 hours remaining, 208.382812 MB of memory in use. ENERGY: 1532400 747.1043 2053.6682 1919.1660 106.6020 -206351.6586 17714.3319 0.0000 0.0000 34496.3737 -149314.4125 301.2654 -183810.7862 -149212.5508 299.1840 -64.7472 -39.0687 558318.9576 -1.8307 -1.6425 PRESSURE: 1532600 -38.3438 -83.3678 0.322172 -83.3671 146.946 -71.0417 0.322605 -71.0426 -136.375 GPRESSURE: 1532600 -7.45023 -41.9544 -23.852 -86.5455 173.853 -136.485 63.7145 -76.0223 -106.006 PRESSAVG: 1532600 62.2355 -9.71828 -18.6003 -9.71829 22.2337 64.5054 -18.6003 64.5055 -27.2693 GPRESSAVG: 1532600 61.2196 -11.962 -19.2295 -8.95519 22.4414 65.9722 -17.8221 63.8528 -26.4644 TIMING: 1532600 CPU: 4616.87, 0.00305537/step Wall: 4616.87, 0.00305537/step, 2.94283 hours remaining, 208.710938 MB of memory in use. ENERGY: 1532600 729.5039 2163.2122 1923.5161 123.1905 -206136.5844 17757.2231 0.0000 0.0000 34213.0516 -149226.8871 298.7911 -183439.9386 -149133.9005 299.2272 -9.2576 20.1323 558754.1535 19.0666 19.0655 PRESSURE: 1532800 -137.699 133.969 12.6986 133.969 -35.8536 -50.3265 12.6997 -50.3242 -197.226 GPRESSURE: 1532800 -114.65 82.6069 69.4478 113.563 -47.9162 -34.7627 -8.75319 -6.54162 -118.203 PRESSAVG: 1532800 11.3935 74.7662 4.27952 74.7662 -27.4202 -35.764 4.27952 -35.764 9.55437 GPRESSAVG: 1532800 12.1208 74.812 3.20785 74.5925 -27.7737 -37.54 5.08319 -35.3421 9.42459 TIMING: 1532800 CPU: 4617.48, 0.00306085/step Wall: 4617.48, 0.00306085/step, 2.94794 hours remaining, 208.710938 MB of memory in use. ENERGY: 1532800 748.5023 2123.7807 1945.6156 112.3113 -205944.2412 17627.3418 0.0000 0.0000 34024.7745 -149361.9151 297.1468 -183386.6896 -149263.9737 299.2509 -123.5930 -93.5898 558586.7104 -2.1574 -2.0761 PRESSURE: 1533000 6.92718 -28.585 -142.339 -28.5848 -49.6389 -138.182 -142.339 -138.184 143.47 GPRESSURE: 1533000 19.8015 82.7753 -106.965 1.37077 30.3358 -55.3023 -53.4222 -193.202 151.812 PRESSAVG: 1533000 22.91 42.4658 -39.3458 42.4658 -93.6092 -4.35878 -39.3458 -4.35893 49.887 GPRESSAVG: 1533000 23.2253 44.0863 -38.1114 42.7376 -93.1954 -3.74717 -39.516 -3.35495 48.8929 TIMING: 1533000 CPU: 4618.09, 0.00305134/step Wall: 4618.09, 0.00305134/step, 2.93861 hours remaining, 208.710938 MB of memory in use. ENERGY: 1533000 724.5773 2106.0203 1906.9568 115.4099 -206364.1763 17806.9504 0.0000 0.0000 34270.0672 -149434.1943 299.2890 -183704.2615 -149335.0694 298.3759 33.5860 67.3163 556556.6081 -6.9374 -7.0257 PRESSURE: 1533200 291.66 -42.5791 6.37076 -42.5797 -93.2306 -109.387 6.37028 -109.385 186.953 GPRESSURE: 1533200 317.83 -87.9804 6.85727 63.8523 -97.0618 -96.7927 -62.5948 -116.642 268.029 PRESSAVG: 1533200 34.815 -42.7496 43.2747 -42.7496 -36.5662 -12.0261 43.2747 -12.0262 44.848 GPRESSAVG: 1533200 33.6457 -43.0041 41.2825 -42.4507 -35.7194 -13.4368 42.7328 -10.3488 45.3326 TIMING: 1533200 CPU: 4618.7, 0.00303228/step Wall: 4618.7, 0.00303228/step, 2.92009 hours remaining, 208.710938 MB of memory in use. ENERGY: 1533200 750.4742 2084.5834 1928.8847 104.2009 -206706.7363 18159.1708 0.0000 0.0000 34172.7730 -149506.6493 298.4393 -183679.4223 -149407.6321 298.7907 128.4611 162.9323 556508.9970 14.3656 14.4196 PRESSURE: 1533400 55.66 -33.8826 187.622 -33.8813 -110.985 10.855 187.622 10.8548 -213.051 GPRESSURE: 1533400 117.231 5.66346 180.934 12.0837 -135.428 73.5099 209.79 -40.622 -157.748 PRESSAVG: 1533400 -14.6075 19.4865 21.6123 19.4866 -55.7091 52.9988 21.6123 52.9989 111.57 GPRESSAVG: 1533400 -13.3622 19.1423 22.2458 19.5145 -57.6917 55.7825 22.7075 51.229 111.748 TIMING: 1533400 CPU: 4619.31, 0.00304794/step Wall: 4619.31, 0.00304794/step, 2.935 hours remaining, 208.710938 MB of memory in use. ENERGY: 1533400 728.4957 2093.7956 1909.0240 114.6067 -206004.3256 17507.2711 0.0000 0.0000 34174.3534 -149476.7792 298.4531 -183651.1326 -149377.2240 298.6270 -89.4588 -58.6484 556663.5816 13.7512 13.5645 PRESSURE: 1533600 -15.4242 -54.789 0.742082 -54.7876 -139.119 174.646 0.742049 174.645 -240.671 GPRESSURE: 1533600 51.1773 -25.9129 88.1894 -43.5218 -100.933 197.527 -8.36358 173.009 -233.299 PRESSAVG: 1533600 17.7561 0.369832 -4.75295 0.369702 -21.5023 68.4495 -4.75289 68.4494 -4.99424 GPRESSAVG: 1533600 16.5378 0.336022 -4.24806 0.085312 -20.7183 66.8783 -5.4959 69.014 -4.01264 TIMING: 1533600 CPU: 4619.91, 0.00302347/step Wall: 4619.91, 0.00302347/step, 2.91127 hours remaining, 208.710938 MB of memory in use. ENERGY: 1533600 722.9695 2067.1979 1887.1430 97.7777 -206026.0933 17648.5237 0.0000 0.0000 33967.1720 -149635.3095 296.6438 -183602.4815 -149537.0906 298.5590 -131.7382 -94.3514 557780.7046 -2.9135 -2.7310 PRESSURE: 1533800 81.7221 -16.7592 -34.4759 -16.7602 -8.89536 106.595 -34.4772 106.595 -216.356 GPRESSURE: 1533800 110.044 -49.3122 -5.33158 0.970327 1.35442 40.5401 -39.0199 87.8993 -157.772 PRESSAVG: 1533800 24.828 3.13742 7.18121 3.13744 33.5521 53.409 7.18126 53.4089 -12.5283 GPRESSAVG: 1533800 24.6893 2.12245 7.1467 3.09756 33.7496 52.2157 8.49256 55.8044 -12.2914 TIMING: 1533800 CPU: 4620.51, 0.00301016/step Wall: 4620.51, 0.00301016/step, 2.89828 hours remaining, 208.710938 MB of memory in use. ENERGY: 1533800 713.4315 2085.3641 1927.9274 111.3418 -206163.3247 17734.1473 0.0000 0.0000 34132.7857 -149458.3268 298.0901 -183591.1125 -149374.5344 298.1944 -47.8432 -15.4581 557157.6589 15.2839 15.3825 PRESSURE: 1534000 196.731 46.4542 -14.381 46.4525 85.2288 102.745 -14.382 102.744 -6.37424 GPRESSURE: 1534000 179.138 91.7311 -14.5774 -40.8982 93.546 170.075 -114.077 68.0248 77.7746 PRESSAVG: 1534000 43.8934 -10.7942 50.9121 -10.7942 -0.633294 33.2997 50.9121 33.2998 -18.0802 GPRESSAVG: 1534000 44.8019 -7.58825 50.7919 -13.6085 -0.587239 32.4779 49.1257 31.6547 -18.9161 TIMING: 1534000 CPU: 4621.11, 0.00300411/step Wall: 4621.11, 0.00300411/step, 2.89229 hours remaining, 208.710938 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: 1534000 711.3676 2142.6376 1928.1246 102.8138 -206559.3420 17880.5765 0.0000 0.0000 34190.3423 -149603.4797 298.5928 -183793.8220 -149515.1855 298.4099 91.8618 116.8196 555085.9435 8.3933 8.4328 PRESSURE: 1534200 -151.86 193.173 131.189 193.173 -134.194 -25.9984 131.189 -25.9974 -183.004 GPRESSURE: 1534200 -62.1872 117.063 148.409 236.355 -112.201 -36.3255 91.4654 -32.2435 -202.676 PRESSAVG: 1534200 67.5014 -0.0359162 43.7691 -0.0359325 -39.6433 34.6334 43.769 34.6334 -20.2064 GPRESSAVG: 1534200 68.3421 -2.17657 43.2362 -0.613819 -41.1255 34.2181 45.5261 33.7792 -20.1439 TIMING: 1534200 CPU: 4621.72, 0.00302157/step Wall: 4621.72, 0.00302157/step, 2.90893 hours remaining, 208.710938 MB of memory in use. ENERGY: 1534200 739.5781 2109.3215 1895.8541 125.6396 -206647.2416 17818.0135 0.0000 0.0000 34279.6871 -149679.1478 299.3730 -183958.8348 -149579.2344 298.3272 -156.3526 -125.6880 556347.0193 2.5506 2.3576 PRESSURE: 1534400 -21.5362 41.1405 -95.9121 41.141 -396.837 -14.8699 -95.9121 -14.8702 -125.58 GPRESSURE: 1534400 -13.1596 34.8158 -136.653 131.747 -384.815 -39.6803 -115.644 45.5407 -46.5853 PRESSAVG: 1534400 73.2137 0.424599 18.0228 0.424585 -47.0185 16.3618 18.0229 16.3619 43.6208 GPRESSAVG: 1534400 72.4651 1.1798 18.214 2.74814 -46.2819 18.1158 17.6272 16.8327 43.8002 TIMING: 1534400 CPU: 4622.32, 0.0030391/step Wall: 4622.32, 0.0030391/step, 2.92564 hours remaining, 208.710938 MB of memory in use. ENERGY: 1534400 765.8325 2074.3183 1891.3381 106.6324 -205988.7737 17410.9846 0.0000 0.0000 34237.0252 -149502.6426 299.0005 -183739.6678 -149409.8586 298.6988 -181.3177 -148.1865 556344.9856 23.2720 23.3278 PRESSURE: 1534600 -179.465 9.60109 -111.068 9.60195 5.50197 53.1587 -111.069 53.1591 -308.856 GPRESSURE: 1534600 -253.71 25.0841 -71.5366 -9.57479 25.7053 70.3961 -163.402 27.8265 -162.605 PRESSAVG: 1534600 -50.5859 20.1073 -17.5811 20.1073 -42.0385 19.1841 -17.5811 19.1841 62.2396 GPRESSAVG: 1534600 -50.8441 19.6133 -17.9646 20.4016 -42.4637 19.2057 -18.9431 18.433 62.5024 TIMING: 1534600 CPU: 4622.93, 0.00303887/step Wall: 4622.93, 0.00303887/step, 2.92525 hours remaining, 208.710938 MB of memory in use. ENERGY: 1534600 759.7323 2051.1430 1917.4331 114.5816 -205920.5437 17394.2593 0.0000 0.0000 34253.9577 -149429.4367 299.1483 -183683.3945 -149330.8514 298.3674 -160.9394 -130.2033 555450.5126 -10.1283 -10.2685 PRESSURE: 1534800 -190.797 -96.174 29.3983 -96.1739 -262.51 95.9662 29.398 95.9656 101.336 GPRESSURE: 1534800 -167.907 -256.076 174.389 -48.7326 -214.257 82.7545 -59.8411 128.755 122.866 PRESSAVG: 1534800 1.25772 -3.52146 17.3568 -3.52154 45.0821 13.6183 17.3569 13.6183 -38.8266 GPRESSAVG: 1534800 1.1762 -4.72365 17.9679 -3.79744 45.4327 12.9167 17.6424 13.2637 -38.8915 TIMING: 1534800 CPU: 4623.55, 0.00310004/step Wall: 4623.55, 0.00310004/step, 2.98396 hours remaining, 208.710938 MB of memory in use. ENERGY: 1534800 753.3989 2094.5449 1933.5475 108.0386 -206010.7751 17502.6859 0.0000 0.0000 34266.3898 -149352.1695 299.2569 -183618.5593 -149249.2207 298.8535 -117.3235 -86.4325 556299.1878 2.5044 2.5725 PRESSURE: 1535000 3.22791 204.203 23.1046 204.202 -147.593 -192.974 23.1041 -192.973 -97.8972 GPRESSURE: 1535000 -1.7097 241.312 -84.3358 205.41 -61.5397 -100.939 139.434 -196.934 -72.0906 PRESSAVG: 1535000 24.5683 30.3288 53.9201 30.3289 20.5375 9.15613 53.9201 9.15603 -9.4429 GPRESSAVG: 1535000 25.1321 31.8208 53.0711 29.3596 20.2034 10.3035 55.445 8.33717 -10.2339 TIMING: 1535000 CPU: 4624.17, 0.00310371/step Wall: 4624.17, 0.00310371/step, 2.98732 hours remaining, 208.710938 MB of memory in use. ENERGY: 1535000 741.6443 2113.3200 1897.6512 123.8389 -205848.0759 17521.1180 0.0000 0.0000 34274.0398 -149176.4636 299.3237 -183450.5034 -149079.5760 298.6813 -80.7541 -45.1133 557472.6064 11.8876 11.7005 PRESSURE: 1535200 131.862 11.421 -118.062 11.4221 -111.853 -132.999 -118.062 -133 -66.9143 GPRESSURE: 1535200 180.031 52.3735 -141.123 -25.9932 -60.8724 -97.9918 -76.4596 -57.9793 -75.9395 PRESSAVG: 1535200 64.1869 11.8819 11.8342 11.8819 -42.5333 -24.0089 11.8341 -24.0089 -9.10043 GPRESSAVG: 1535200 63.5499 9.64639 11.3539 13.0287 -42.2055 -23.0698 11.6041 -23.5201 -8.93753 TIMING: 1535200 CPU: 4624.79, 0.00307958/step Wall: 4624.79, 0.00307958/step, 2.96392 hours remaining, 208.710938 MB of memory in use. ENERGY: 1535200 762.4418 2095.7130 1914.2288 94.8960 -206429.6420 18039.0694 0.0000 0.0000 34269.6142 -149253.6786 299.2851 -183523.2928 -149159.3456 299.1506 -15.6352 14.4063 556736.9207 4.1844 4.1356 PRESSURE: 1535400 -38.9549 -96.4443 -216.094 -96.4456 229.058 -18.0192 -216.094 -18.0189 21.1555 GPRESSURE: 1535400 -39.0088 24.092 -134.766 -215.193 307.428 -0.73052 -234.738 22.4751 45.1062 PRESSAVG: 1535400 63.082 -3.39607 -25.2201 -3.39603 -59.7406 24.4013 -25.2201 24.4013 -28.5353 GPRESSAVG: 1535400 62.0905 -1.13781 -24.4801 -3.92513 -59.1889 20.0457 -24.1561 28.7047 -27.8525 TIMING: 1535400 CPU: 4625.41, 0.00309682/step Wall: 4625.41, 0.00309682/step, 2.98034 hours remaining, 208.710938 MB of memory in use. ENERGY: 1535400 720.6812 2124.3936 1942.0352 105.4594 -206198.3532 17719.9425 0.0000 0.0000 34495.2791 -149090.5621 301.2559 -183585.8413 -148988.9962 299.7273 70.4196 104.5086 556080.7051 -8.3979 -8.3170 PRESSURE: 1535600 -113.977 -44.3531 39.5546 -44.3539 -147.352 238.522 39.5538 238.522 -142.289 GPRESSURE: 1535600 -86.7925 6.84155 42.4955 0.0646302 -97.3673 191.432 59.8505 250.369 -123.427 PRESSAVG: 1535600 4.61263 38.0812 -12.2244 38.0813 -11.527 24.8365 -12.2244 24.8364 9.10219 GPRESSAVG: 1535600 5.64846 35.4044 -11.7122 39.6762 -12.4111 26.0207 -15.2356 22.1051 8.84904 TIMING: 1535600 CPU: 4626.02, 0.00307959/step Wall: 4626.02, 0.00307959/step, 2.96359 hours remaining, 208.710938 MB of memory in use. ENERGY: 1535600 789.3779 2104.1377 1942.0420 105.5947 -206104.7223 17775.8033 0.0000 0.0000 34374.5940 -149013.1726 300.2019 -183387.7666 -148917.6722 300.0038 -134.5393 -102.5288 556802.3125 0.7293 0.6955 PRESSURE: 1535800 -139.542 257.645 79.6059 257.644 -105.638 -19.7697 79.6071 -19.7699 -24.0865 GPRESSURE: 1535800 -93.6861 206.887 51.396 273.713 -60.8813 -14.5775 71.0924 -40.6492 -20.9002 PRESSAVG: 1535800 31.0183 3.07454 54.5576 3.07451 -18.409 -2.89801 54.5575 -2.89801 -44.6119 GPRESSAVG: 1535800 31.2588 6.00275 54.5809 1.49452 -18.8614 -1.3409 55.4966 -2.11998 -44.4675 TIMING: 1535800 CPU: 4626.64, 0.00308691/step Wall: 4626.64, 0.00308691/step, 2.97047 hours remaining, 208.710938 MB of memory in use. ENERGY: 1535800 755.9787 2120.8629 1915.0660 108.9349 -206026.9282 17721.3837 0.0000 0.0000 34367.1977 -149037.5043 300.1373 -183404.7021 -148945.4690 299.9231 -89.7552 -58.4892 557560.8577 -10.6676 -10.6900 PRESSURE: 1536000 190.971 -58.4423 -24.7125 -58.442 112.391 209.607 -24.711 209.608 64.0279 GPRESSURE: 1536000 203.811 31.03 -94.8997 -46.8666 118.762 293.6 6.88761 197.058 126.211 PRESSAVG: 1536000 110.787 59.9436 59.4918 59.9437 -62.0808 7.75731 59.4918 7.75729 -36.371 GPRESSAVG: 1536000 109.535 59.6811 59.7249 60.162 -61.8558 7.07121 58.9513 7.10479 -35.0822 TIMING: 1536000 CPU: 4627.26, 0.00309675/step Wall: 4627.26, 0.00309675/step, 2.97977 hours remaining, 208.710938 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: 1536000 732.1903 2114.6536 1948.8550 124.5203 -206136.0690 17943.1621 0.0000 0.0000 34233.3081 -149039.3795 298.9680 -183272.6876 -148947.5488 299.8054 122.4633 149.5949 557203.8519 4.1118 4.1989 PRESSURE: 1536200 -59.0182 87.6686 55.2116 87.6674 -425.215 -195.712 55.2126 -195.711 -328.666 GPRESSURE: 1536200 -14.6359 212.301 66.7256 44.566 -324.152 -108.388 58.9774 -183.987 -370.101 PRESSAVG: 1536200 53.7762 0.46367 32.396 0.463719 20.749 12.2603 32.396 12.2604 -52.1065 GPRESSAVG: 1536200 54.6991 1.44039 32.431 -0.0450172 21.5076 12.7655 32.4494 12.8097 -53.4073 TIMING: 1536200 CPU: 4627.87, 0.00306693/step Wall: 4627.87, 0.00306693/step, 2.9509 hours remaining, 208.710938 MB of memory in use. ENERGY: 1536200 780.4409 2029.2635 1942.8733 110.8661 -205514.8369 17432.5606 0.0000 0.0000 34093.7319 -149125.1007 297.7490 -183218.8325 -149031.8510 299.8424 -270.9664 -236.2963 559369.8906 7.4729 7.5998 LDB: ============= START OF LOAD BALANCING ============== 4631.4 LDB: ============== END OF LOAD BALANCING =============== 4631.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4631.4 LDB: ============= START OF LOAD BALANCING ============== 4631.71 LDB: Largest compute 4800 load 0.032154 is 27.3% of average load 0.117925 LDB: Average compute 0.001746 is 1.5% of average load 0.117925 LDB: TIME 4631.71 LOAD: AVG 0.117925 MAX 0.224898 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.129 MB LDB: TIME 4631.71 LOAD: AVG 0.117925 MAX 0.224898 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.129 MB LDB: TIME 4631.71 LOAD: AVG 0.117925 MAX 0.224898 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.129 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4631.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4631.72 PRESSURE: 1536400 92.4034 50.3833 -178.906 50.383 60.7447 -41.6545 -178.906 -41.6552 89.1944 GPRESSURE: 1536400 160.896 140.5 -201.815 -37.1304 89.1902 -45.9916 -106.803 -16.6997 92.7032 PRESSAVG: 1536400 -19.7058 -47.5681 18.1671 -47.568 13.0776 -8.14104 18.1672 -8.14114 -16.2185 GPRESSAVG: 1536400 -19.9064 -47.718 18.9746 -45.772 13.2303 -9.35964 18.1161 -9.83361 -16.2764 TIMING: 1536400 CPU: 4628.5, 0.00314719/step Wall: 4628.5, 0.00314719/step, 3.02794 hours remaining, 207.246094 MB of memory in use. ENERGY: 1536400 751.9522 2056.8442 1907.8513 106.0159 -205998.3794 17920.6808 0.0000 0.0000 34289.9303 -148965.1048 299.4625 -183255.0351 -148861.9279 299.2626 80.7808 114.2632 559299.1564 -7.6156 -7.6508 PRESSURE: 1536600 -17.1069 -138.173 -0.488128 -138.173 -113.638 27.117 -0.486977 27.1162 -133.557 GPRESSURE: 1536600 -22.7731 -179.438 -65.3095 -131.948 -90.5293 31.7301 62.7807 90.1329 -66.3376 PRESSAVG: 1536600 37.7778 4.02867 17.374 4.02872 -0.127128 13.0026 17.3739 13.0026 -20.263 GPRESSAVG: 1536600 37.7975 3.79618 16.0733 1.51359 0.0428026 15.8889 14.586 13.7665 -20.0535 TIMING: 1536600 CPU: 4629.12, 0.00309584/step Wall: 4629.12, 0.00309584/step, 2.97837 hours remaining, 207.765625 MB of memory in use. ENERGY: 1536600 737.2546 2075.4326 1893.3573 106.4969 -205858.9171 17693.2658 0.0000 0.0000 34432.5469 -148920.5631 300.7080 -183353.1101 -148824.6467 299.2867 -88.1007 -59.8800 559464.8047 5.7959 5.9290 PRESSURE: 1536800 146.906 28.7952 -123.459 28.794 -173.889 -15.6474 -123.457 -15.6466 81.9337 GPRESSURE: 1536800 162.123 44.472 -92.3185 10.2781 -126.512 -40.3827 -175.352 -8.08437 122.537 PRESSAVG: 1536800 17.3194 -25.7749 1.05952 -25.7747 -25.132 -4.41929 1.05951 -4.41927 -33.9503 GPRESSAVG: 1536800 17.8921 -26.0944 -0.395831 -23.2389 -26.5042 -7.14484 3.24764 -3.84944 -33.3815 TIMING: 1536800 CPU: 4629.74, 0.00306152/step Wall: 4629.74, 0.00306152/step, 2.94518 hours remaining, 207.765625 MB of memory in use. ENERGY: 1536800 701.8940 2099.3726 1907.1155 113.0930 -206050.8159 17823.6424 0.0000 0.0000 34545.4748 -148860.2236 301.6942 -183405.6984 -148763.2476 299.9666 18.3169 52.7159 558570.5874 -13.9210 -13.9978 PRESSURE: 1537000 -44.4348 -22.4147 112.851 -22.4164 -64.2382 -61.6357 112.851 -61.6357 128.94 GPRESSURE: 1537000 6.36494 -18.7165 113.383 5.4709 3.45995 -109.769 96.5863 -36.4869 107.766 PRESSAVG: 1537000 22.3677 66.1115 12.3409 66.1116 -59.5625 29.6414 12.3409 29.6414 52.5529 GPRESSAVG: 1537000 23.3308 65.6142 14.0104 65.9371 -59.0816 30.2095 13.3504 29.2684 52.0178 TIMING: 1537000 CPU: 4630.35, 0.00306581/step Wall: 4630.35, 0.00306581/step, 2.94914 hours remaining, 207.765625 MB of memory in use. ENERGY: 1537000 737.3922 2100.8152 1932.8205 113.4612 -206186.3441 17963.0912 0.0000 0.0000 34482.9302 -148855.8336 301.1480 -183338.7638 -148754.5347 301.0224 6.7556 39.1968 557281.8540 5.1194 5.4224 PRESSURE: 1537200 19.463 -39.7308 37.9831 -39.7318 8.45668 -95.4174 37.9843 -95.4177 -215.04 GPRESSURE: 1537200 110.077 -80.1304 52.4721 -75.3273 52.9834 -119.583 144.067 -44.2027 -253.195 PRESSAVG: 1537200 0.884939 4.95537 -45.1228 4.95543 50.2037 20.1558 -45.1228 20.1558 -78.0011 GPRESSAVG: 1537200 -0.673384 4.72195 -44.1174 3.65305 51.4988 20.7556 -46.616 20.0808 -77.5842 TIMING: 1537200 CPU: 4630.96, 0.00303708/step Wall: 4630.96, 0.00303708/step, 2.92133 hours remaining, 207.765625 MB of memory in use. ENERGY: 1537200 762.5791 2110.7545 1941.1265 113.2091 -206031.1960 17757.4877 0.0000 0.0000 34475.5128 -148870.5263 301.0832 -183346.0391 -148773.8760 300.6099 -62.3735 -30.0450 557213.8459 -8.9708 -8.9196 PRESSURE: 1537400 -13.4112 139.47 -42.2166 139.47 153.734 -60.9087 -42.2176 -60.9069 343.645 GPRESSURE: 1537400 14.927 99.5714 -107.413 149.336 225.961 -15.2255 -54.5631 -89.3598 328.472 PRESSAVG: 1537400 -17.7212 4.71795 -22.2795 4.71803 -13.1032 25.1115 -22.2794 25.1116 19.716 GPRESSAVG: 1537400 -16.9211 5.13273 -22.9422 4.08907 -13.7953 23.4685 -23.0649 25.7451 19.6744 TIMING: 1537400 CPU: 4631.57, 0.00304899/step Wall: 4631.57, 0.00304899/step, 2.93262 hours remaining, 207.765625 MB of memory in use. ENERGY: 1537400 729.4696 2091.3603 1922.8833 114.9039 -205970.7901 17851.8262 0.0000 0.0000 34232.5726 -149027.7742 298.9616 -183260.3469 -148931.4241 300.8341 161.3225 189.7867 556461.0235 -3.7028 -3.6806 PRESSURE: 1537600 -67.9536 51.5945 87.7971 51.5936 187.763 99.822 87.7977 99.8222 -143.205 GPRESSURE: 1537600 -41.1476 71.1157 107.058 79.9372 169.418 214.914 55.2812 79.7496 -55.5868 PRESSAVG: 1537600 -26.6641 0.984168 -35.1844 0.984088 54.7473 -10.1718 -35.1844 -10.1718 -34.556 GPRESSAVG: 1537600 -26.0421 2.00788 -35.566 2.2117 54.2 -8.58277 -31.3976 -13.1037 -34.7096 TIMING: 1537600 CPU: 4632.17, 0.00302798/step Wall: 4632.17, 0.00302798/step, 2.91224 hours remaining, 207.765625 MB of memory in use. ENERGY: 1537600 742.3700 2106.4732 1926.7696 111.6322 -206171.7260 17822.8532 0.0000 0.0000 34342.2197 -149119.4082 299.9191 -183461.6278 -149025.7097 299.8814 -7.7987 24.2280 557494.5434 -2.1576 -2.1839 PRESSURE: 1537800 23.6367 -85.6539 -16.9192 -85.6555 -68.8367 152.345 -16.9197 152.346 -163.349 GPRESSURE: 1537800 29.3125 -86.5432 -97.9243 -152.214 -37.7118 163.492 9.22802 110.914 -103.513 PRESSAVG: 1537800 14.5674 26.7226 18.8108 26.7227 76.2223 -18.1868 18.8108 -18.1867 -0.937938 GPRESSAVG: 1537800 14.163 25.3332 19.812 26.4275 76.9734 -19.2004 17.0393 -15.5922 -1.03786 TIMING: 1537800 CPU: 4632.78, 0.00305199/step Wall: 4632.78, 0.00305199/step, 2.93517 hours remaining, 207.765625 MB of memory in use. ENERGY: 1537800 734.3545 2134.6998 1904.4648 116.3142 -205724.9215 17499.3603 0.0000 0.0000 34207.5813 -149128.1466 298.7433 -183335.7279 -149038.0497 299.6678 -69.5163 -37.3042 557608.8097 29.9506 30.0329 PRESSURE: 1538000 -214.019 -66.5666 -8.28609 -66.5671 -31.9284 -69.8503 -8.28554 -69.85 -110.646 GPRESSURE: 1538000 -168.882 -79.1603 18.6755 -69.852 14.9069 -147.337 10.7464 -43.7424 -106.583 PRESSAVG: 1538000 10.3153 -3.07201 31.0742 -3.07195 61.6752 35.0785 31.0743 35.0786 -30.4586 GPRESSAVG: 1538000 9.97483 -1.81179 30.8953 -4.70028 61.7279 34.2119 29.8215 34.7761 -29.6928 TIMING: 1538000 CPU: 4633.4, 0.00307432/step Wall: 4633.4, 0.00307432/step, 2.95647 hours remaining, 207.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1538000 737.2869 2127.0757 1904.5911 106.5925 -206410.8704 17779.4411 0.0000 0.0000 34439.7068 -149316.1762 300.7705 -183755.8831 -149218.1875 299.6422 -118.8645 -86.8529 557089.0455 13.8440 14.0033 PRESSURE: 1538200 81.7964 -115.844 -93.7799 -115.845 195.978 101.902 -93.7793 101.904 67.5145 GPRESSURE: 1538200 150.858 -110.588 -163.699 -112.096 240.222 124.849 -14.0582 161.679 45.7568 PRESSAVG: 1538200 -9.87263 9.6775 -13.276 9.67746 81.2869 21.6945 -13.276 21.6944 -62.2094 GPRESSAVG: 1538200 -9.9395 11.4471 -14.7038 8.49186 81.1415 23.422 -12.6357 20.1551 -61.4167 TIMING: 1538200 CPU: 4634.01, 0.0030516/step Wall: 4634.01, 0.0030516/step, 2.93445 hours remaining, 207.765625 MB of memory in use. ENERGY: 1538200 719.1068 2105.8353 1912.4204 121.1312 -206083.2320 17791.7826 0.0000 0.0000 34226.5578 -149206.3980 298.9090 -183432.9558 -149104.6714 299.5614 115.0963 145.6122 556398.7630 3.0683 3.2618 PRESSURE: 1538400 -114.708 0.885013 56.1036 0.883947 -145.37 17.2401 56.1042 17.2399 -387.951 GPRESSURE: 1538400 -120.469 -66.4329 59.5165 23.2675 -158.986 74.0094 47.1948 -77.0201 -259.108 PRESSAVG: 1538400 26.9965 -16.7547 -12.3885 -16.7546 54.0404 54.9714 -12.3886 54.9714 -21.2793 GPRESSAVG: 1538400 28.0142 -19.02 -10.5599 -14.3486 52.8537 55.8111 -10.7838 54.9213 -21.3284 TIMING: 1538400 CPU: 4634.62, 0.00308555/step Wall: 4634.62, 0.00308555/step, 2.96693 hours remaining, 207.765625 MB of memory in use. ENERGY: 1538400 756.1211 2089.9431 1942.5797 103.7344 -205480.0399 17236.8549 0.0000 0.0000 34129.9842 -149220.8225 298.0656 -183350.8067 -149125.2524 299.5047 -216.0096 -179.5209 556709.0724 19.9192 19.8465 PRESSURE: 1538600 166.34 57.4916 25.6737 57.491 393.19 -98.047 25.6739 -98.0455 30.1897 GPRESSURE: 1538600 259.35 -56.6783 107.513 62.3551 356.943 -71.0311 -33.1922 -117.915 70.0213 PRESSAVG: 1538600 84.5713 -32.8663 -23.9059 -32.8663 10.9309 -16.7329 -23.9059 -16.7329 -41.8604 GPRESSAVG: 1538600 85.0945 -35.1457 -25.4451 -31.9521 11.4336 -17.5497 -24.5198 -17.2557 -43.2835 TIMING: 1538600 CPU: 4635.24, 0.00305439/step Wall: 4635.24, 0.00305439/step, 2.9368 hours remaining, 207.765625 MB of memory in use. ENERGY: 1538600 709.9450 2118.0707 1892.4235 119.4798 -206667.5136 17993.8747 0.0000 0.0000 34382.4434 -149451.2766 300.2704 -183833.7199 -149354.4008 299.1594 196.5733 228.7715 556614.4205 17.8806 17.7482 PRESSURE: 1538800 -111.09 -26.4585 -136.734 -26.4597 207.763 -72.6848 -136.735 -72.6855 -34.2647 GPRESSURE: 1538800 -64.0763 2.47468 -56.2128 -24.5941 230.132 12.1154 -189.949 -87.6188 -4.13058 PRESSAVG: 1538800 68.4734 -1.93839 -17.7294 -1.93829 3.64526 -1.49354 -17.7294 -1.49357 -30.6501 GPRESSAVG: 1538800 67.802 1.67822 -15.7389 -3.38343 3.47359 -1.71925 -18.9277 -0.388762 -30.2347 TIMING: 1538800 CPU: 4635.85, 0.00305345/step Wall: 4635.85, 0.00305345/step, 2.93572 hours remaining, 207.765625 MB of memory in use. ENERGY: 1538800 728.1313 2143.6809 1921.8582 111.0918 -206397.2883 17911.0232 0.0000 0.0000 34182.1567 -149399.3462 298.5213 -183581.5029 -149311.4349 298.4306 20.8026 53.9749 557838.2411 13.8228 13.6803 PRESSURE: 1539000 -71.0574 -170.418 -108.315 -170.417 -55.4188 35.6102 -108.315 35.6123 14.5295 GPRESSURE: 1539000 -42.0403 -195.131 -109.962 -77.7983 -54.6584 -25.1389 -133.738 118.548 73.3524 PRESSAVG: 1539000 -19.4246 -8.16642 39.3743 -8.16643 55.5136 -18.8186 39.3742 -18.8186 -10.171 GPRESSAVG: 1539000 -19.6185 -8.81234 38.039 -6.56323 55.3913 -19.9308 41.7075 -19.8829 -10.1743 TIMING: 1539000 CPU: 4636.46, 0.00308805/step Wall: 4636.46, 0.00308805/step, 2.96881 hours remaining, 207.765625 MB of memory in use. ENERGY: 1539000 736.0142 2086.2021 1924.4127 120.2144 -205754.9093 17482.2742 0.0000 0.0000 33983.3981 -149422.3937 296.7855 -183405.7917 -149326.2479 297.6137 -37.3156 -7.7821 557322.8516 8.6393 8.5328 PRESSURE: 1539200 -33.5555 62.5391 -78.2897 62.538 -5.12545 57.1387 -78.2894 57.1385 213.751 GPRESSURE: 1539200 11.7982 62.6413 -163.581 36.8624 -5.95125 144.617 -2.51654 40.5593 262.222 PRESSAVG: 1539200 -38.2918 -56.8321 -0.924561 -56.8321 -23.5085 0.964796 -0.924599 0.964811 80.0074 GPRESSAVG: 1539200 -37.482 -56.7462 -3.1086 -58.6197 -24.2111 1.87941 -0.558222 2.36841 79.6823 TIMING: 1539200 CPU: 4637.09, 0.00311766/step Wall: 4637.09, 0.00311766/step, 2.99711 hours remaining, 207.765625 MB of memory in use. ENERGY: 1539200 756.9354 2103.3987 1906.0321 116.7572 -206393.8276 17973.4720 0.0000 0.0000 34128.1707 -149409.0617 298.0498 -183537.2324 -149317.4884 298.6543 58.3565 89.3562 556185.7936 6.0690 5.9964 PRESSURE: 1539400 -132.739 -126.231 -81.8971 -126.232 -79.3268 4.91541 -81.8969 4.91618 -225.065 GPRESSURE: 1539400 -61.1198 -168.44 -54.9641 -100.623 -92.0342 75.6413 -131.675 23.8389 -176.78 PRESSAVG: 1539400 -28.5174 -30.8954 -52.2953 -30.8954 50.4189 15.9332 -52.2952 15.9333 -21.5537 GPRESSAVG: 1539400 -29.2799 -29.7772 -47.1927 -31.6452 50.6276 16.711 -54.6572 14.6434 -21.0241 TIMING: 1539400 CPU: 4637.7, 0.00305569/step Wall: 4637.7, 0.00305569/step, 2.93737 hours remaining, 207.765625 MB of memory in use. ENERGY: 1539400 728.8230 2060.3870 1870.8182 105.9579 -205825.6077 17556.8378 0.0000 0.0000 34150.2118 -149352.5719 298.2423 -183502.7838 -149258.8211 299.2308 -145.7102 -109.9780 557557.8699 0.1160 0.1078 PRESSURE: 1539600 13.2723 -236.984 -116.17 -236.984 -15.2331 -72.5164 -116.17 -72.5152 -114.768 GPRESSURE: 1539600 104.842 -145.206 -78.8994 -256.036 -8.29066 -117.771 -109.8 -131.458 -105.177 PRESSAVG: 1539600 45.3821 23.1207 -76.294 23.1207 1.65125 6.20453 -76.294 6.20462 -7.18803 GPRESSAVG: 1539600 45.4591 21.484 -78.1607 26.3033 2.11797 3.19759 -76.4333 8.26898 -7.29082 TIMING: 1539600 CPU: 4638.31, 0.0030421/step Wall: 4638.31, 0.0030421/step, 2.92414 hours remaining, 207.765625 MB of memory in use. ENERGY: 1539600 737.3234 2069.2360 1906.4483 110.0500 -206166.3336 17776.9209 0.0000 0.0000 34414.9680 -149151.3870 300.5545 -183566.3550 -149049.3818 298.5793 -38.9095 -2.8751 557142.5307 13.2818 13.4287 PRESSURE: 1539800 -118.509 -1.63593 165.415 -1.63702 153.852 -25.6718 165.415 -25.6711 -23.6238 GPRESSURE: 1539800 -64.5877 -6.86654 185.039 17.1838 173.838 -6.88522 186.276 -26.1897 8.77909 PRESSAVG: 1539800 -33.5562 -39.1728 -22.6277 -39.173 51.9458 -7.08867 -22.6277 -7.08862 -52.9803 GPRESSAVG: 1539800 -33.9351 -38.9668 -23.195 -39.7775 51.9541 -4.51025 -21.7913 -9.56236 -52.6481 TIMING: 1539800 CPU: 4638.92, 0.00304461/step Wall: 4638.92, 0.00304461/step, 2.92638 hours remaining, 207.765625 MB of memory in use. ENERGY: 1539800 741.4464 2079.9573 1924.0039 126.5543 -206106.4475 17748.7922 0.0000 0.0000 34135.8245 -149349.8690 298.1166 -183485.6935 -149252.4812 298.9132 3.9066 39.3432 557142.0924 -11.5302 -11.5430 PRESSURE: 1540000 -169.697 -184.305 -69.8748 -184.306 181.812 -240.713 -69.8763 -240.712 7.44528 GPRESSURE: 1540000 -136.031 -237.889 -58.8333 -105.315 220.217 -300.223 -125.311 -123.964 23.512 PRESSAVG: 1540000 29.6388 -23.9913 -29.7874 -23.9913 19.6622 -31.1562 -29.7874 -31.1563 -47.0387 GPRESSAVG: 1540000 29.4431 -23.5336 -30.2207 -25.0676 19.0526 -31.0282 -31.2248 -31.0023 -46.1435 TIMING: 1540000 CPU: 4639.53, 0.00305822/step Wall: 4639.53, 0.00305822/step, 2.93929 hours remaining, 207.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1540000 745.9685 2100.0352 1926.5533 125.9142 -206336.6084 17874.4943 0.0000 0.0000 34360.9551 -149202.6877 300.0828 -183563.6428 -149103.1403 298.8443 6.5203 35.8991 557896.5983 0.7541 0.7841 PRESSURE: 1540200 -52.8709 -64.0025 -51.8617 -64.0027 -13.3426 -43.9511 -51.8625 -43.9508 13.1694 GPRESSURE: 1540200 -35.6798 -42.9244 -9.82769 23.9012 77.1941 -24.7115 -36.1807 -43.4504 4.82763 PRESSAVG: 1540200 -49.444 -51.7816 -73.249 -51.7816 32.4876 -16.9198 -73.2491 -16.9198 -31.95 GPRESSAVG: 1540200 -49.3966 -52.4155 -74.0459 -51.2118 32.6566 -18.8288 -71.7334 -17.1303 -33.0845 TIMING: 1540200 CPU: 4640.14, 0.00306132/step Wall: 4640.14, 0.00306132/step, 2.9421 hours remaining, 207.765625 MB of memory in use. ENERGY: 1540200 763.9898 2056.8997 1921.6630 104.5321 -206043.5107 17899.6336 0.0000 0.0000 34327.9324 -148968.8602 299.7944 -183296.7926 -148876.4442 299.1249 -17.6813 15.4473 558666.2791 -16.3022 -16.6082 LDB: ============= START OF LOAD BALANCING ============== 4643.66 LDB: ============== END OF LOAD BALANCING =============== 4643.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4643.66 LDB: ============= START OF LOAD BALANCING ============== 4643.96 LDB: Largest compute 4800 load 0.031250 is 26.5% of average load 0.117914 LDB: Average compute 0.001743 is 1.5% of average load 0.117914 LDB: TIME 4643.97 LOAD: AVG 0.117914 MAX 0.223997 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.273 MB LDB: TIME 4643.97 LOAD: AVG 0.117914 MAX 0.223997 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.48 MB LDB: TIME 4643.97 LOAD: AVG 0.117914 MAX 0.223997 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.48 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4643.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4643.97 PRESSURE: 1540400 65.8054 61.2344 -80.9393 61.2343 134.924 77.4848 -80.9399 77.4851 -13.1699 GPRESSURE: 1540400 114.671 46.5075 -22.5635 51.2933 181.013 43.766 -154.62 146.128 -15.4484 PRESSAVG: 1540400 -81.8756 -29.0533 -25.4919 -29.0533 46.682 38.574 -25.4918 38.5739 72.7668 GPRESSAVG: 1540400 -81.5158 -30.0469 -22.8034 -28.1346 46.2745 40.3588 -27.087 38.165 72.7687 TIMING: 1540400 CPU: 4640.76, 0.00308035/step Wall: 4640.76, 0.00308035/step, 2.96021 hours remaining, 208.785156 MB of memory in use. ENERGY: 1540400 705.0363 2082.5305 1926.2936 113.3986 -206043.1824 17863.5195 0.0000 0.0000 34323.7664 -149028.6376 299.7580 -183352.4040 -148925.5761 300.0352 62.5198 93.4120 557377.1459 12.5244 12.5091 PRESSURE: 1540600 -160.513 55.2239 93.6758 55.2228 69.6954 112.041 93.6755 112.04 -89.8801 GPRESSURE: 1540600 -117.96 57.1071 85.0061 50.4232 104.44 62.9073 110.125 169.859 -66.3655 PRESSAVG: 1540600 -3.04636 -16.5833 -4.41799 -16.5833 4.83963 -6.84121 -4.41798 -6.8411 -3.69723 GPRESSAVG: 1540600 -2.65079 -16.6127 -5.01046 -18.0184 5.29098 -8.58283 -4.15425 -4.76683 -4.58654 TIMING: 1540600 CPU: 4641.37, 0.00305205/step Wall: 4641.37, 0.00305205/step, 2.93285 hours remaining, 208.855469 MB of memory in use. ENERGY: 1540600 747.6998 2107.5710 1952.0890 114.2707 -205694.9423 17606.9210 0.0000 0.0000 34192.8102 -148973.5806 298.6143 -183166.3908 -148880.7277 300.0067 -60.2324 -26.6285 557772.9537 -0.6347 -0.6488 PRESSURE: 1540800 73.3271 124.417 -122.349 124.417 -6.16711 113.555 -122.35 113.554 224.715 GPRESSURE: 1540800 137.973 146.278 -140.637 88.1543 27.6762 133.762 -107.385 74.7725 228.427 PRESSAVG: 1540800 28.35 13.2751 8.614 13.2752 -10.4309 -55.5643 8.61391 -55.5644 2.94159 GPRESSAVG: 1540800 27.4535 12.8347 6.95595 14.3029 -9.62636 -53.9549 9.42056 -56.8379 2.96066 TIMING: 1540800 CPU: 4641.97, 0.0030215/step Wall: 4641.97, 0.0030215/step, 2.90332 hours remaining, 208.855469 MB of memory in use. ENERGY: 1540800 780.0325 2047.4778 1929.9972 117.9571 -206198.1667 17925.2830 0.0000 0.0000 34466.4075 -148931.0116 301.0037 -183397.4192 -148821.8906 300.0812 97.2916 131.3588 555757.0948 6.9536 6.9293 PRESSURE: 1541000 -143.204 29.0059 68.2815 29.0062 -37.1131 -44.0529 68.2815 -44.0526 -162.513 GPRESSURE: 1541000 -113.523 -16.8154 24.5615 -5.84987 -42.7907 -9.87812 63.5578 -43.7071 -98.0884 PRESSAVG: 1541000 -51.0038 20.5593 44.649 20.5594 3.71577 -59 44.649 -59 55.2923 GPRESSAVG: 1541000 -51.0448 22.0578 46.3317 20.1551 3.03944 -60.2883 44.7984 -56.9659 56.2493 TIMING: 1541000 CPU: 4642.58, 0.00304913/step Wall: 4642.58, 0.00304913/step, 2.9297 hours remaining, 208.855469 MB of memory in use. ENERGY: 1541000 745.7607 2114.4477 1959.2631 121.0958 -205627.0824 17506.3677 0.0000 0.0000 34313.7520 -148866.3953 299.6705 -183180.1473 -148768.3118 300.5978 -114.2768 -84.8006 558192.6721 2.6681 2.7480 PRESSURE: 1541200 128.148 19.29 114.91 19.2904 293.485 22.3379 114.91 22.3372 -137.08 GPRESSURE: 1541200 140.902 -22.5276 97.3 18.8885 250.689 -67.1577 80.8509 36.0681 2.89899 PRESSAVG: 1541200 -40.8241 20.2107 31.1847 20.2106 43.5797 -11.5436 31.1846 -11.5437 34.1946 GPRESSAVG: 1541200 -40.5624 20.3109 31.2399 20.5483 43.3425 -12.3432 31.2747 -11.9597 34.433 TIMING: 1541200 CPU: 4643.19, 0.00305664/step Wall: 4643.19, 0.00305664/step, 2.93675 hours remaining, 208.855469 MB of memory in use. ENERGY: 1541200 748.2268 2154.1052 1946.1099 106.9929 -206106.2266 17867.5944 0.0000 0.0000 34478.8896 -148804.3079 301.1127 -183283.1974 -148704.1568 300.3275 94.8507 131.4966 556690.9939 12.3167 12.4044 PRESSURE: 1541400 110.463 -96.5087 -132.881 -96.5095 -74.8082 -10.2283 -132.881 -10.2282 -66.5693 GPRESSURE: 1541400 143.807 -32.7275 -167.031 -190.915 -31.7573 4.06349 -69.3399 13.9676 -29.3723 PRESSAVG: 1541400 -88.7811 55.9441 41.0749 55.9441 62.5147 -38.0018 41.0748 -38.0018 33.1611 GPRESSAVG: 1541400 -89.4133 57.1802 38.2554 54.1651 62.3961 -35.5428 40.7844 -39.7215 34.2303 TIMING: 1541400 CPU: 4643.81, 0.00307796/step Wall: 4643.81, 0.00307796/step, 2.95706 hours remaining, 208.855469 MB of memory in use. ENERGY: 1541400 764.2911 2087.7400 1936.2753 111.7244 -205644.7294 17660.2227 0.0000 0.0000 34276.5350 -148807.9410 299.3455 -183084.4760 -148717.0078 299.9065 -10.3049 27.5593 557418.0887 2.2982 2.4044 PRESSURE: 1541600 -2.89501 -37.3158 -8.22067 -37.3151 79.0837 -51.2064 -8.22052 -51.2042 250.418 GPRESSURE: 1541600 -20.2098 -39.5417 -73.2288 -20.7033 124.713 -24.8602 6.27161 82.7576 327.895 PRESSAVG: 1541600 -36.5918 38.2801 -15.628 38.2802 4.51664 0.98924 -15.6281 0.989122 39.648 GPRESSAVG: 1541600 -36.0859 38.3381 -14.4787 37.7718 4.64199 -4.04658 -14.9675 4.0545 39.3189 TIMING: 1541600 CPU: 4644.43, 0.00310112/step Wall: 4644.43, 0.00310112/step, 2.97915 hours remaining, 208.855469 MB of memory in use. ENERGY: 1541600 749.3681 2066.2307 1890.6863 124.0459 -206108.1770 17899.9787 0.0000 0.0000 34483.1112 -148894.7561 301.1496 -183377.8673 -148794.5779 300.7214 108.8689 144.1326 556745.2224 2.5243 2.6250 PRESSURE: 1541800 51.7601 5.86719 -104.488 5.86708 109.683 82.0291 -104.486 82.0273 -79.4389 GPRESSURE: 1541800 129.166 72.5532 -167.288 55.1487 166.192 65.8763 -121.733 138.231 -101.638 PRESSAVG: 1541800 -52.0743 -54.2982 -64.7728 -54.2982 -2.72134 20.9668 -64.7728 20.9668 55.9026 GPRESSAVG: 1541800 -51.953 -55.9786 -64.7241 -53.1739 -1.55621 23.1634 -63.9898 18.1792 54.865 TIMING: 1541800 CPU: 4645.05, 0.00311486/step Wall: 4645.05, 0.00311486/step, 2.99217 hours remaining, 208.855469 MB of memory in use. ENERGY: 1541800 734.8468 2046.7311 1924.7115 121.9799 -205793.0819 17608.2719 0.0000 0.0000 34389.7430 -148966.7978 300.3342 -183356.5408 -148872.9803 300.1019 27.3348 64.5733 556121.8878 0.3690 0.4519 PRESSURE: 1542000 236.199 20.1531 -43.0428 20.1532 174.022 -1.81133 -43.0407 -1.81136 -215.861 GPRESSURE: 1542000 237.421 55.3202 -105.692 -13.6268 184.055 -26.8459 82.3272 3.52306 -128.195 PRESSAVG: 1542000 45.512 -22.4366 -17.6995 -22.4366 -6.87276 5.73898 -17.6995 5.73895 -32.8986 GPRESSAVG: 1542000 45.7911 -22.7756 -15.9202 -20.8248 -7.83984 2.66001 -17.3977 8.59935 -32.39 TIMING: 1542000 CPU: 4645.67, 0.00311123/step Wall: 4645.67, 0.00311123/step, 2.98851 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: 1542000 743.8319 2142.3548 1915.0215 103.7545 -205928.9169 17716.1816 0.0000 0.0000 34274.3039 -149033.4687 299.3260 -183307.7726 -148942.2608 299.7809 64.7866 97.7603 556935.9696 1.9136 1.8537 PRESSURE: 1542200 -39.2995 68.8645 73.4936 68.8652 -16.3215 -7.15082 73.4926 -7.14946 -130.176 GPRESSURE: 1542200 -32.1217 118.914 32.0523 18.6133 37.4161 -24.1206 25.8406 -30.7165 -100.659 PRESSAVG: 1542200 44.1051 2.2338 -20.1248 2.23378 -5.15952 18.9346 -20.1249 18.9347 15.1326 GPRESSAVG: 1542200 43.5765 2.39527 -22.3898 0.0141732 -5.15617 24.6837 -20.4419 16.8593 15.9373 TIMING: 1542200 CPU: 4646.29, 0.0030832/step Wall: 4646.29, 0.0030832/step, 2.96141 hours remaining, 208.855469 MB of memory in use. ENERGY: 1542200 743.3744 2056.4677 1930.9926 102.1812 -206005.6634 17852.6108 0.0000 0.0000 34245.8154 -149074.2213 299.0772 -183320.0367 -148976.3967 299.2001 -61.9324 -31.7882 558862.9034 18.0260 18.1192 PRESSURE: 1542400 -36.6936 70.2577 -126.64 70.2579 73.7206 84.9771 -126.639 84.9762 -236.049 GPRESSURE: 1542400 13.0884 93.6772 -42.5502 -26.0246 91.875 79.6397 -182.359 164.842 -202.77 PRESSAVG: 1542400 106.357 -11.0343 -23.2332 -11.0343 -21.2596 32.8456 -23.2332 32.8454 -96.8548 GPRESSAVG: 1542400 107.439 -10.367 -22.1845 -10.5832 -20.2626 29.4876 -25.1648 33.5101 -99.0158 TIMING: 1542400 CPU: 4646.91, 0.00308166/step Wall: 4646.91, 0.00308166/step, 2.95976 hours remaining, 208.855469 MB of memory in use. ENERGY: 1542400 768.7969 2044.6414 1928.0091 112.7315 -206071.8503 17886.3027 0.0000 0.0000 34281.3405 -149050.0283 299.3875 -183331.3687 -148954.1532 298.9807 -66.3406 -32.6021 558519.2229 -3.9190 -3.9463 PRESSURE: 1542600 150.315 -177.615 45.2889 -177.616 -51.443 -17.4617 45.2881 -17.4621 67.0591 GPRESSURE: 1542600 210.744 -186.518 78.8204 -156.71 26.5284 -49.7671 29.5914 -59.9317 9.15896 PRESSAVG: 1542600 54.8332 5.37257 -32.6922 5.37248 -12.2339 39.7721 -32.6923 39.772 -31.2052 GPRESSAVG: 1542600 55.6596 4.78746 -33.7197 4.89971 -14.7246 40.2125 -31.034 40.6531 -29.4862 TIMING: 1542600 CPU: 4647.51, 0.00304647/step Wall: 4647.51, 0.00304647/step, 2.9258 hours remaining, 208.855469 MB of memory in use. ENERGY: 1542600 770.8480 2036.0600 1928.5304 114.1977 -206491.1380 17951.5522 0.0000 0.0000 34461.7091 -149228.2405 300.9627 -183689.9497 -149132.0767 299.1881 55.3103 82.1437 556742.8111 3.7980 3.8163 PRESSURE: 1542800 17.3492 -52.5951 30.0448 -52.5943 233.592 -162.277 30.0442 -162.278 -150.383 GPRESSURE: 1542800 35.5654 -98.5473 84.8652 -20.8494 320.489 -110.735 -14.9509 -128.644 -144.458 PRESSAVG: 1542800 60.8352 -59.9062 2.60752 -59.9062 41.5165 -34.4453 2.60745 -34.4453 -74.4474 GPRESSAVG: 1542800 59.4972 -59.722 4.09698 -60.0462 43.0098 -34.9211 2.34791 -35.3337 -73.9291 TIMING: 1542800 CPU: 4648.13, 0.00309221/step Wall: 4648.13, 0.00309221/step, 2.96955 hours remaining, 208.855469 MB of memory in use. ENERGY: 1542800 773.7289 2068.5266 1904.5921 104.7934 -206095.0410 17911.0737 0.0000 0.0000 34307.1580 -149025.1684 299.6129 -183332.3264 -148929.9502 299.3819 33.5193 70.5322 557192.9930 9.3014 9.5260 PRESSURE: 1543000 -240.706 6.56822 68.3715 6.56765 132.623 63.2777 68.3728 63.2778 -47.8883 GPRESSURE: 1543000 -179.542 52.3813 185.623 -10.8817 97.5135 -32.5508 -46.1645 138.313 28.2246 PRESSAVG: 1543000 14.2721 16.6066 82.6873 16.6066 63.7008 -9.36957 82.6873 -9.36965 -71.9287 GPRESSAVG: 1543000 15.3642 17.0583 81.7684 17.1328 62.9287 -8.49208 81.075 -9.30125 -72.0545 TIMING: 1543000 CPU: 4648.74, 0.00304391/step Wall: 4648.74, 0.00304391/step, 2.923 hours remaining, 208.855469 MB of memory in use. ENERGY: 1543000 765.5245 2046.2358 1903.9937 124.7774 -206516.9442 17896.2255 0.0000 0.0000 34569.9875 -149210.1998 301.9083 -183780.1873 -149104.4577 299.9568 -51.9904 -17.9346 557659.8550 2.0147 2.0795 PRESSURE: 1543200 -128.018 81.7011 14.4347 81.702 28.3479 -117.983 14.4338 -117.983 -316.537 GPRESSURE: 1543200 -66.5188 122.487 76.6668 159.9 68.9368 -108.873 37.1299 -143.144 -318.839 PRESSAVG: 1543200 85.1211 -5.79772 32.0574 -5.79775 -2.09214 -14.1803 32.0576 -14.1803 -119.919 GPRESSAVG: 1543200 84.2132 -6.46969 33.0457 -6.60145 -0.824162 -13.9575 31.3785 -14.9095 -120.684 TIMING: 1543200 CPU: 4649.34, 0.00301204/step Wall: 4649.34, 0.00301204/step, 2.89223 hours remaining, 208.855469 MB of memory in use. ENERGY: 1543200 727.7102 2105.0091 1943.5217 126.4529 -205612.0334 17525.8464 0.0000 0.0000 34230.2361 -148953.2572 298.9412 -183183.4933 -148864.3924 300.2130 -138.7357 -105.4737 559664.0465 -12.2968 -12.4317 PRESSURE: 1543400 -56.3357 -52.7296 -223.069 -52.7296 167.296 19.7651 -223.069 19.7665 -34.6326 GPRESSURE: 1543400 -20.7895 -60.0191 -141.65 -60.793 197.777 2.87837 -277.854 0.698387 -10.7362 PRESSAVG: 1543400 17.1489 30.6304 45.8317 30.6304 15.526 15.252 45.8317 15.2521 -25.9989 GPRESSAVG: 1543400 16.9717 29.8062 46.532 31.5408 14.686 15.5885 47.2175 15.8305 -25.0759 TIMING: 1543400 CPU: 4649.96, 0.00306341/step Wall: 4649.96, 0.00306341/step, 2.94138 hours remaining, 208.855469 MB of memory in use. ENERGY: 1543400 759.6954 2165.6262 1926.1831 104.7055 -206137.6636 17808.1898 0.0000 0.0000 34356.8239 -149016.4397 300.0467 -183373.2636 -148917.3620 300.7214 25.4426 55.4171 559092.5714 2.2253 2.1939 PRESSURE: 1543600 167.15 1.70764 -23.7665 1.70876 5.48552 -71.455 -23.7646 -71.4541 -173.058 GPRESSURE: 1543600 208.508 -52.9283 -128.889 27.4715 45.8708 15.9437 -80.0173 -145.646 -156.25 PRESSAVG: 1543600 64.2448 -28.8383 17.7089 -28.8383 -19.407 7.60281 17.709 7.60291 -43.7423 GPRESSAVG: 1543600 66.0789 -28.2392 16.5482 -28.7274 -20.6506 8.42627 19.5598 7.15385 -44.0892 TIMING: 1543600 CPU: 4650.57, 0.00304622/step Wall: 4650.57, 0.00304622/step, 2.92471 hours remaining, 208.855469 MB of memory in use. ENERGY: 1543600 757.8012 2144.9218 1918.9282 114.7688 -206281.6835 17936.5388 0.0000 0.0000 34463.4811 -148945.2435 300.9782 -183408.7246 -148843.8582 300.3336 -0.1408 32.7095 559698.4828 0.3652 0.4464 PRESSURE: 1543800 214.815 -72.4237 -34.2447 -72.4238 8.18115 -256.742 -34.2442 -256.743 161.373 GPRESSURE: 1543800 238.233 -171.682 -43.8234 -77.0148 41.2621 -267.468 -32.3257 -192.075 202.31 PRESSAVG: 1543800 56.064 -11.2204 28.9493 -11.2204 -36.2735 -15.0381 28.9492 -15.0382 -19.897 GPRESSAVG: 1543800 54.547 -10.3044 28.2991 -11.7865 -34.1202 -16.3142 26.9739 -12.9793 -20.2798 TIMING: 1543800 CPU: 4651.18, 0.00307684/step Wall: 4651.18, 0.00307684/step, 2.95393 hours remaining, 208.855469 MB of memory in use. ENERGY: 1543800 737.6252 2128.9786 1951.9690 115.5135 -206210.4297 17917.9968 0.0000 0.0000 34334.0505 -149024.2961 299.8478 -183358.3466 -148926.3493 300.2573 128.1230 160.6017 558986.8809 -0.0355 0.0490 PRESSURE: 1544000 -155.462 -171.563 -71.857 -171.563 -82.1861 103.446 -71.8556 103.446 -148.087 GPRESSURE: 1544000 -168.895 -166.858 -105.422 -162.572 -62.4983 223.062 -120.025 59.4369 -71.2396 PRESSAVG: 1544000 0.651812 30.0059 -45.7505 30.0059 4.2919 -15.3306 -45.7505 -15.3307 -49.551 GPRESSAVG: 1544000 1.6698 30.2486 -43.698 28.6131 2.70229 -14.1393 -45.5501 -16.0582 -48.9918 TIMING: 1544000 CPU: 4651.79, 0.00305272/step Wall: 4651.79, 0.00305272/step, 2.93062 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: 1544000 765.2665 2052.5685 1955.3285 113.0016 -206107.6413 17704.9076 0.0000 0.0000 34345.0809 -149171.4877 299.9441 -183516.5686 -149075.3969 299.4115 -128.5784 -100.8777 559747.3592 -14.8691 -14.8732 PRESSURE: 1544200 142.605 -138.835 31.4998 -138.836 -41.0955 -74.5505 31.5006 -74.5479 172.635 GPRESSURE: 1544200 183.971 -91.6178 95.3186 -175.148 -71.7538 -91.1979 41.1767 -6.78909 252.872 PRESSAVG: 1544200 -15.406 -19.4855 14.1937 -19.4855 -41.6062 19.3227 14.1936 19.3228 24.5085 GPRESSAVG: 1544200 -16.871 -19.7751 12.7664 -17.2951 -41.0564 19.02 12.6132 19.8248 24.8072 TIMING: 1544200 CPU: 4652.4, 0.00302533/step Wall: 4652.4, 0.00302533/step, 2.90415 hours remaining, 208.855469 MB of memory in use. ENERGY: 1544200 750.7988 2121.7875 1912.3235 100.5025 -206126.2884 17802.9319 0.0000 0.0000 34398.9575 -149038.9867 300.4147 -183437.9442 -148941.2730 299.7298 91.3813 121.6963 556894.3706 -10.8346 -11.0401 LDB: ============= START OF LOAD BALANCING ============== 4655.92 LDB: ============== END OF LOAD BALANCING =============== 4655.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4655.92 LDB: ============= START OF LOAD BALANCING ============== 4656.22 LDB: Largest compute 4800 load 0.032489 is 27.6% of average load 0.117878 LDB: Average compute 0.001743 is 1.5% of average load 0.117878 LDB: TIME 4656.23 LOAD: AVG 0.117878 MAX 0.222579 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.844 MB LDB: TIME 4656.23 LOAD: AVG 0.117878 MAX 0.222579 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.914 MB LDB: TIME 4656.23 LOAD: AVG 0.117878 MAX 0.222579 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.914 MB LDB: ============== END OF LOAD BALANCING =============== 4656.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4656.23 PRESSURE: 1544400 -3.48642 6.21838 -77.0226 6.21927 -221.23 -30.0399 -77.0232 -30.041 44.3368 GPRESSURE: 1544400 33.7187 7.1497 32.3333 3.64152 -149.202 -12.5059 -129.351 23.8111 14.8975 PRESSAVG: 1544400 17.2687 -56.4045 -2.29387 -56.4044 -11.0221 17.4629 -2.2939 17.4628 -28.527 GPRESSAVG: 1544400 16.6167 -56.7193 -1.51796 -58.5232 -10.5885 17.782 -1.11498 17.2035 -28.4634 TIMING: 1544400 CPU: 4653.02, 0.00309737/step Wall: 4653.02, 0.00309737/step, 2.97313 hours remaining, 207.816406 MB of memory in use. ENERGY: 1544400 814.9343 2074.6210 1913.7856 109.5937 -206559.7565 17951.6431 0.0000 0.0000 34548.2869 -149146.8919 301.7188 -183695.1788 -149048.8706 300.1901 -60.1267 -33.5285 557312.3275 -7.4268 -7.4784 PRESSURE: 1544600 335.629 -163.833 13.3725 -163.832 76.4122 -11.8386 13.3737 -11.8406 353.678 GPRESSURE: 1544600 339.452 -163.085 5.67796 -139.76 160.562 -74.0587 -18.9843 -7.96498 366.844 PRESSAVG: 1544600 -32.7625 -56.7895 24.3713 -56.7895 23.0894 8.55558 24.3713 8.55556 19.4157 GPRESSAVG: 1544600 -32.4075 -58.8982 23.4994 -56.537 23.5357 7.96946 25.7634 7.79573 18.3337 TIMING: 1544600 CPU: 4653.63, 0.00305919/step Wall: 4653.63, 0.00305919/step, 2.93631 hours remaining, 208.074219 MB of memory in use. ENERGY: 1544600 704.5251 2114.9747 1943.9717 137.0016 -206639.5011 18072.0830 0.0000 0.0000 34206.5939 -149460.3510 298.7347 -183666.9449 -149366.7197 299.3719 255.2397 288.9525 556114.8892 3.2475 3.1540 PRESSURE: 1544800 -122.96 2.31398 159.37 2.31385 -210.297 168.579 159.371 168.578 -465.982 GPRESSURE: 1544800 -83.5532 50.5317 149.971 -39.7571 -174.253 190.587 111.92 223.442 -438.357 PRESSAVG: 1544800 7.91774 -14.1822 23.9137 -14.1821 -29.4792 79.6436 23.9138 79.6436 -16.9141 GPRESSAVG: 1544800 8.25311 -12.4859 24.0647 -12.2515 -30.6162 79.7277 22.3068 79.771 -15.9264 TIMING: 1544800 CPU: 4654.24, 0.00305522/step Wall: 4654.24, 0.00305522/step, 2.93233 hours remaining, 208.074219 MB of memory in use. ENERGY: 1544800 751.1225 2093.9309 1966.0762 104.6532 -206397.5485 17529.0212 0.0000 0.0000 34389.1357 -149563.6087 300.3289 -183952.7444 -149461.1986 298.8328 -266.4131 -232.0546 557120.6211 -12.8252 -12.7632 PRESSURE: 1545000 129.311 -69.9693 86.158 -69.9693 -348.331 39.8288 86.1577 39.8295 262.167 GPRESSURE: 1545000 187.449 -52.5961 1.14991 -122.765 -292.58 33.9676 125.115 94.0014 242.824 PRESSAVG: 1545000 69.7958 -22.4459 -1.5538 -22.4459 -61.3291 17.553 -1.55378 17.5531 -22.235 GPRESSAVG: 1545000 70.3039 -19.4103 -2.31626 -23.9949 -60.361 18.9746 0.169634 18.0628 -23.5411 TIMING: 1545000 CPU: 4654.85, 0.00307329/step Wall: 4654.85, 0.00307329/step, 2.94951 hours remaining, 208.074219 MB of memory in use. ENERGY: 1545000 756.1495 2123.8109 1929.1079 112.5961 -206790.1095 18156.3062 0.0000 0.0000 34069.0408 -149643.0981 297.5334 -183712.1390 -149549.6738 298.4497 14.3821 45.8975 556950.9019 -4.5894 -4.5327 PRESSURE: 1545200 -61.4865 -12.8802 -14.2072 -12.8801 82.6714 -59.5572 -14.208 -59.5564 -80.1253 GPRESSURE: 1545200 -14.8976 47.4977 16.1107 73.3874 110.579 -1.7969 6.96491 -24.5413 -51.31 PRESSAVG: 1545200 10.103 -7.19268 -2.16319 -7.19271 -17.1618 8.3766 -2.16313 8.37673 11.9526 GPRESSAVG: 1545200 9.00389 -9.47599 -1.05853 -5.87308 -16.6822 5.4191 -1.20745 9.8686 12.622 TIMING: 1545200 CPU: 4655.47, 0.00306052/step Wall: 4655.47, 0.00306052/step, 2.93708 hours remaining, 208.074219 MB of memory in use. ENERGY: 1545200 725.5830 2021.4164 1939.5301 114.2306 -206381.3553 17805.3482 0.0000 0.0000 34265.2122 -149510.0348 299.2466 -183775.2470 -149412.7859 298.4064 -19.6468 14.7904 556389.6110 1.6313 1.6479 PRESSURE: 1545400 7.92393 -111.007 99.515 -111.008 -119.627 -80.5115 99.5149 -80.5112 112.102 GPRESSURE: 1545400 26.5128 -135.827 96.2861 -163.241 -89.8709 -97.9764 96.4986 -157.201 174.268 PRESSAVG: 1545400 11.7556 33.3671 -36.8614 33.367 -74.2169 5.41786 -36.8614 5.41786 93.6528 GPRESSAVG: 1545400 12.4623 32.3368 -36.2499 34.0417 -74.3739 7.53861 -40.4231 3.10383 93.8681 TIMING: 1545400 CPU: 4656.08, 0.00304828/step Wall: 4656.08, 0.00304828/step, 2.92516 hours remaining, 208.074219 MB of memory in use. ENERGY: 1545400 759.2017 2067.0536 1912.2552 112.1534 -206162.5627 17759.0110 0.0000 0.0000 34140.9851 -149411.9029 298.1617 -183552.8879 -149305.8934 298.6076 0.1331 36.9700 555650.1485 10.3972 10.6522 PRESSURE: 1545600 126.577 72.5828 -193.223 72.582 -13.3358 28.8979 -193.222 28.8972 513.91 GPRESSURE: 1545600 167.657 115.858 -175.98 101.24 -21.9687 46.4012 -152.75 -48.7508 566.159 PRESSAVG: 1545600 -28.2707 10.5114 -5.98792 10.5115 -95.0339 65.7023 -5.98796 65.7023 84.841 GPRESSAVG: 1545600 -27.7821 10.9838 -7.33051 9.07144 -94.9233 65.8975 -3.86165 64.9144 83.7387 TIMING: 1545600 CPU: 4656.68, 0.00303651/step Wall: 4656.68, 0.00303651/step, 2.9137 hours remaining, 208.074219 MB of memory in use. ENERGY: 1545600 728.9728 2055.0430 1923.1548 110.4775 -206544.0897 17907.2221 0.0000 0.0000 34414.0391 -149405.1804 300.5464 -183819.2194 -149307.3295 298.2160 209.0505 237.2825 555624.6350 -12.8212 -12.9889 PRESSURE: 1545800 -17.4443 -75.3007 123.437 -75.3015 162.016 68.847 123.437 68.848 -204.29 GPRESSURE: 1545800 46.9784 -124.229 93.3157 -1.08754 202.865 -5.77566 126.076 66.4424 -208.327 PRESSAVG: 1545800 -6.43786 -34.669 -31.559 -34.669 1.57205 -28.6138 -31.5589 -28.6137 30.8666 GPRESSAVG: 1545800 -7.83601 -32.3846 -28.9731 -35.0445 2.2402 -29.7824 -33.6262 -26.3678 31.5261 TIMING: 1545800 CPU: 4657.29, 0.00305019/step Wall: 4657.29, 0.00305019/step, 2.92666 hours remaining, 208.074219 MB of memory in use. ENERGY: 1545800 739.0738 2068.4074 1927.1250 118.9391 -206078.8272 17643.6082 0.0000 0.0000 34220.6428 -149361.0308 298.8574 -183581.6736 -149270.2788 298.8888 -19.9061 13.8387 556325.2408 8.6669 8.6434 PRESSURE: 1546000 8.89377 -85.2916 0.435463 -85.2909 -46.8146 78.0146 0.434405 78.0154 1.51762 GPRESSURE: 1546000 38.7718 -133.697 0.237029 45.8524 -23.5795 59.7014 -18.8249 18.7054 56.5412 PRESSAVG: 1546000 13.3391 -39.3272 -0.143652 -39.3272 -5.7216 -6.92632 -0.143665 -6.92646 27.0448 GPRESSAVG: 1546000 14.7516 -39.5814 -1.09854 -39.596 -5.74904 -7.49756 -0.69212 -8.27351 25.3154 TIMING: 1546000 CPU: 4657.9, 0.00304477/step Wall: 4657.9, 0.00304477/step, 2.92129 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: 1546000 765.2488 2035.9312 1941.5300 116.4238 -206496.4384 17968.8498 0.0000 0.0000 34189.6012 -149478.8535 298.5863 -183668.4547 -149380.5932 298.6697 -12.1344 23.9112 556610.2321 11.5541 11.4393 PRESSURE: 1546200 -395.302 -63.4247 -34.059 -63.4241 -193.778 23.1539 -34.0607 23.1534 -79.1659 GPRESSURE: 1546200 -335.593 -15.9409 21.3731 -73.0659 -168.729 86.9371 -25.1224 72.3168 -68.283 PRESSAVG: 1546200 -76.8038 34.1383 -61.3076 34.1384 36.1683 -41.1588 -61.3076 -41.1588 32.1632 GPRESSAVG: 1546200 -76.09 31.7418 -63.4083 34.4293 34.7013 -38.6614 -59.7441 -40.7265 33.1854 TIMING: 1546200 CPU: 4658.51, 0.00302779/step Wall: 4658.51, 0.00302779/step, 2.90483 hours remaining, 208.074219 MB of memory in use. ENERGY: 1546200 750.0965 2129.2348 1923.1615 118.0904 -205827.3704 17428.3096 0.0000 0.0000 34138.1944 -149340.2831 298.1373 -183478.4775 -149249.7246 298.2195 -222.7487 -190.8683 558227.1324 -2.8241 -2.7344 PRESSURE: 1546400 -106.753 93.8673 15.5565 93.8685 -134.83 67.6072 15.5561 67.6064 201.515 GPRESSURE: 1546400 -80.4366 16.1977 -19.5132 101.384 -103.828 144.167 -13.3672 29.0656 228.139 PRESSAVG: 1546400 -14.133 4.07498 -40.4199 4.07506 -62.3859 -17.0321 -40.42 -17.032 55.8054 GPRESSAVG: 1546400 -15.0588 5.27103 -40.9634 5.46938 -62.341 -17.0768 -40.1779 -17.2182 56.4053 TIMING: 1546400 CPU: 4659.12, 0.00304587/step Wall: 4659.12, 0.00304587/step, 2.92201 hours remaining, 208.144531 MB of memory in use. ENERGY: 1546400 739.3319 2056.9134 1941.8792 129.4930 -205907.3530 17595.5257 0.0000 0.0000 34348.3835 -149095.8262 299.9730 -183444.2098 -149004.2354 299.4642 -13.3559 14.6247 556085.3479 -6.9045 -6.9982 PRESSURE: 1546600 -18.8369 138.508 -181.956 138.507 52.7718 10.753 -181.955 10.7532 30.7867 GPRESSURE: 1546600 -32.9088 81.7932 -84.491 143.754 58.0669 -19.871 -284.973 86.7762 139.348 PRESSAVG: 1546600 -1.09147 4.56989 -6.38796 4.56988 27.3702 6.46254 -6.38791 6.46252 37.9434 GPRESSAVG: 1546600 -1.41291 4.27812 -4.9609 3.73578 28.7046 4.21676 -7.98385 6.97013 36.9445 TIMING: 1546600 CPU: 4659.73, 0.00307952/step Wall: 4659.73, 0.00307952/step, 2.95412 hours remaining, 208.144531 MB of memory in use. ENERGY: 1546600 775.0897 2136.0585 1907.2559 120.4448 -206128.2466 17974.9677 0.0000 0.0000 34171.0217 -149043.4084 298.4240 -183214.4301 -148954.9998 299.6283 21.5739 54.8352 558599.4706 21.4074 21.4121 PRESSURE: 1546800 -6.74654 62.1028 50.7202 62.1015 -94.1226 35.7665 50.7208 35.7667 71.2788 GPRESSURE: 1546800 -4.00087 12.3361 -69.8038 64.0983 -61.1883 41.5632 55.3628 -3.67194 124.584 PRESSAVG: 1546800 2.77911 9.00241 -37.2903 9.00248 -52.5409 -16.6432 -37.2903 -16.6433 39.9145 GPRESSAVG: 1546800 3.95287 9.31178 -36.4067 9.80576 -53.1935 -15.3999 -35.7777 -15.2653 39.548 TIMING: 1546800 CPU: 4660.35, 0.00306125/step Wall: 4660.35, 0.00306125/step, 2.93642 hours remaining, 208.144531 MB of memory in use. ENERGY: 1546800 729.1734 2086.5917 1929.8461 114.4302 -206306.0115 17779.3004 0.0000 0.0000 34547.8132 -149118.8565 301.7146 -183666.6697 -149017.7331 299.6810 -9.8634 19.7982 557744.7936 -3.2824 -3.2309 PRESSURE: 1547000 -269.496 -16.542 10.8635 -16.5421 -170.515 -41.2926 10.8635 -41.2932 -67.9879 GPRESSURE: 1547000 -212.882 -31.6748 -60.9685 -52.4613 -113.096 85.0143 122.094 -57.3626 -90.6729 PRESSAVG: 1547000 -34.1366 10.4409 -18.3553 10.4409 -11.4509 30.5863 -18.3554 30.5862 22.0969 GPRESSAVG: 1547000 -34.5787 11.3907 -16.9471 7.61692 -11.3095 29.2951 -20.7165 30.1798 22.0488 TIMING: 1547000 CPU: 4660.96, 0.0030561/step Wall: 4660.96, 0.0030561/step, 2.93131 hours remaining, 208.144531 MB of memory in use. ENERGY: 1547000 751.8569 2122.0514 1924.8194 114.8727 -205868.1376 17454.1408 0.0000 0.0000 34383.7050 -149116.6914 300.2814 -183500.3964 -149015.5791 300.2714 -169.3327 -138.8833 557856.2743 -7.8302 -7.9465 PRESSURE: 1547200 -49.3698 -20.9061 200.379 -20.9067 -275.821 -0.941789 200.378 -0.942097 -80.6295 GPRESSURE: 1547200 -33.4745 -78.7531 184.665 -50.5693 -258.354 114.332 153.49 -110.094 -30.8009 PRESSAVG: 1547200 -48.6313 11.7815 29.4262 11.7815 43.1056 -40.9455 29.4263 -40.9454 73.9731 GPRESSAVG: 1547200 -49.3477 12.3852 23.9881 13.5753 42.545 -40.9634 32.731 -41.1682 74.6816 TIMING: 1547200 CPU: 4661.56, 0.00304093/step Wall: 4661.56, 0.00304093/step, 2.91659 hours remaining, 208.144531 MB of memory in use. ENERGY: 1547200 710.8576 2055.0999 1912.2609 120.9639 -205989.2508 17588.9349 0.0000 0.0000 34328.5515 -149272.5822 299.7998 -183601.1337 -149168.8560 299.4859 -135.2735 -107.5430 557529.7740 22.8158 22.6263 PRESSURE: 1547400 -75.8817 -91.3146 87.2523 -91.3137 180.069 -32.5683 87.2505 -32.568 29.7231 GPRESSURE: 1547400 -68.7851 -48.6418 31.5946 -76.9062 225.798 -71.9 36.9481 -7.12222 70.5402 PRESSAVG: 1547400 -47.1418 -8.8298 28.0348 -8.82974 -14.5768 12.4769 28.0348 12.477 31.5907 GPRESSAVG: 1547400 -47.5545 -9.29539 29.681 -7.60778 -14.8456 13.2082 26.5103 11.6163 32.1348 TIMING: 1547400 CPU: 4662.18, 0.00306576/step Wall: 4662.18, 0.00306576/step, 2.94024 hours remaining, 208.144531 MB of memory in use. ENERGY: 1547400 724.7346 2085.1715 1936.0985 112.4717 -206255.9197 17659.9049 0.0000 0.0000 34507.6015 -149229.9370 301.3635 -183737.5385 -149136.9906 300.0059 44.6366 75.8512 553844.3091 -10.0426 -10.0884 PRESSURE: 1547600 -215.64 74.9266 270.717 74.9272 -125.948 26.5353 270.717 26.5363 -67.1076 GPRESSURE: 1547600 -174.032 27.3641 241.293 93.934 -81.0681 0.560287 356.862 21.969 -56.0601 PRESSAVG: 1547600 -16.1143 30.8251 35.6427 30.8251 65.0542 -9.88559 35.6426 -9.88552 -13.5307 GPRESSAVG: 1547600 -15.7857 30.1555 35.8928 30.0376 65.1424 -10.2446 35.5237 -10.1605 -13.5721 TIMING: 1547600 CPU: 4662.79, 0.00304079/step Wall: 4662.79, 0.00304079/step, 2.91612 hours remaining, 208.144531 MB of memory in use. ENERGY: 1547600 724.4452 2086.9094 1913.4955 118.1221 -206171.9802 17590.3068 0.0000 0.0000 34483.8555 -149254.8457 301.1561 -183738.7012 -149157.5371 299.5237 -136.2319 -103.7199 557122.9066 11.8031 11.9282 PRESSURE: 1547800 101.843 128.137 123.02 128.138 -56.6655 247.107 123.021 247.107 104.024 GPRESSURE: 1547800 128.905 27.8475 95.5578 188.245 17.0622 231.356 121.688 222.111 89.1595 PRESSAVG: 1547800 -19.2994 53.0239 96.2019 53.0239 -14.8697 81.3869 96.2019 81.387 14.0994 GPRESSAVG: 1547800 -18.2728 52.3561 96.7776 53.0636 -14.4736 83.1773 96.4474 82.2118 12.8898 TIMING: 1547800 CPU: 4663.39, 0.00302776/step Wall: 4663.39, 0.00302776/step, 2.90346 hours remaining, 208.144531 MB of memory in use. ENERGY: 1547800 725.2624 2117.7414 1954.4951 118.2621 -206174.6512 17793.3320 0.0000 0.0000 34314.5270 -149151.0312 299.6773 -183465.5583 -149060.6843 300.1092 49.7336 78.3756 555930.2191 -6.6899 -6.6189 PRESSURE: 1548000 164.108 32.0378 20.3162 32.0377 -175.336 178.04 20.317 178.04 -14.7435 GPRESSURE: 1548000 149.325 -139.969 93.4198 88.5417 -116.561 87.8211 22.01 236.018 30.7397 PRESSAVG: 1548000 -37.8398 -4.78613 -2.59073 -4.78615 -20.8422 39.4866 -2.5907 39.4867 59.0506 GPRESSAVG: 1548000 -38.6312 -3.49829 -1.82735 -4.66123 -21.5518 37.8622 -3.22776 39.1506 61.215 TIMING: 1548000 CPU: 4664, 0.0030342/step Wall: 4664, 0.0030342/step, 2.90946 hours remaining, 208.144531 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: 1548000 763.7928 2075.6782 1936.4456 117.5136 -206189.0137 17696.9755 0.0000 0.0000 34463.2087 -149135.3991 300.9758 -183598.6079 -149048.9501 299.6783 -8.6570 21.1680 556635.7550 0.1229 0.3440 PRESSURE: 1548200 -88.2335 -90.1293 103.208 -90.1295 -63.3963 146.819 103.207 146.819 54.9472 GPRESSURE: 1548200 -78.1491 -95.3267 141.462 -99.0496 60.8089 176.71 123.993 82.2891 5.30082 PRESSAVG: 1548200 48.3807 -7.37889 15.2867 -7.37876 -43.2213 13.01 15.2866 13.0101 -8.18127 GPRESSAVG: 1548200 49.359 -7.63338 16.3664 -6.88628 -42.4712 14.0421 14.8451 13.0978 -9.67162 TIMING: 1548200 CPU: 4664.61, 0.00306014/step Wall: 4664.61, 0.00306014/step, 2.93416 hours remaining, 208.144531 MB of memory in use. ENERGY: 1548200 729.7756 2098.0684 1955.7894 110.6291 -206215.6296 17783.4554 0.0000 0.0000 34258.2102 -149279.7016 299.1855 -183537.9118 -149187.2947 299.0033 -32.2275 -4.0131 555810.2034 -1.0073 -0.9279 LDB: ============= START OF LOAD BALANCING ============== 4668.13 LDB: ============== END OF LOAD BALANCING =============== 4668.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4668.13 LDB: ============= START OF LOAD BALANCING ============== 4668.44 LDB: Largest compute 4800 load 0.031469 is 26.7% of average load 0.117907 LDB: Average compute 0.001747 is 1.5% of average load 0.117907 LDB: TIME 4668.44 LOAD: AVG 0.117907 MAX 0.225969 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 4668.45 LOAD: AVG 0.117907 MAX 0.225968 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: TIME 4668.45 LOAD: AVG 0.117907 MAX 0.225968 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: ============== END OF LOAD BALANCING =============== 4668.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4668.45 PRESSURE: 1548400 5.76331 -28.8086 143.923 -28.8079 -15.4893 1.71095 143.923 1.71147 10.2635 GPRESSURE: 1548400 70.5592 -85.1634 183.707 20.8843 -36.4595 19.7104 106.436 1.75178 62.5709 PRESSAVG: 1548400 -6.8662 -36.5306 46.9026 -36.5305 40.7009 -3.97413 46.9025 -3.97418 -15.0661 GPRESSAVG: 1548400 -6.70774 -38.6795 44.9524 -35.933 40.6658 -4.67177 45.5494 -1.62884 -14.8408 TIMING: 1548400 CPU: 4665.24, 0.00312369/step Wall: 4665.24, 0.00312369/step, 2.99492 hours remaining, 208.273438 MB of memory in use. ENERGY: 1548400 724.6900 2075.8636 1920.9829 108.3443 -206349.7711 17830.9691 0.0000 0.0000 34469.6971 -149219.2240 301.0324 -183688.9211 -149124.5001 299.1447 0.1792 32.2236 556960.6196 6.2562 6.3724 PRESSURE: 1548600 -70.0172 146.444 -51.2783 146.444 -104.073 -213.737 -51.2783 -213.738 90.1935 GPRESSURE: 1548600 -22.4297 201.442 -87.8518 137.098 -44.9624 -172.72 -43.556 -252.114 85.4494 PRESSAVG: 1548600 39.3975 -45.5306 -19.6766 -45.5307 -39.0804 -16.7731 -19.6766 -16.773 -12.6181 GPRESSAVG: 1548600 38.4633 -44.4269 -21.3558 -45.724 -38.8595 -16.8344 -16.2801 -17.3792 -11.85 TIMING: 1548600 CPU: 4665.85, 0.00308158/step Wall: 4665.85, 0.00308158/step, 2.95438 hours remaining, 208.476562 MB of memory in use. ENERGY: 1548600 712.5201 2034.8665 1944.4891 110.8232 -206207.3300 17763.6497 0.0000 0.0000 34505.4641 -149135.5173 301.3448 -183640.9814 -149038.4032 299.5518 -27.9654 6.0191 557617.8970 -4.1003 -4.0821 PRESSURE: 1548800 -197.488 30.5956 -78.9305 30.5954 -165.283 204.857 -78.931 204.856 -8.65919 GPRESSURE: 1548800 -88.9489 102.324 5.58507 -44.8071 -163.104 274.68 -143.389 170.4 -19.5658 PRESSAVG: 1548800 13.8922 30.2922 -33.2949 30.2922 -39.5089 -10.1169 -33.2949 -10.1169 25.225 GPRESSAVG: 1548800 14.1303 29.286 -29.6549 30.5098 -39.0014 -10.1239 -36.967 -10.967 24.5859 TIMING: 1548800 CPU: 4666.47, 0.0030828/step Wall: 4666.47, 0.0030828/step, 2.95538 hours remaining, 208.476562 MB of memory in use. ENERGY: 1548800 727.8699 2055.0573 1943.4622 104.5940 -206028.6752 17620.1696 0.0000 0.0000 34338.2292 -149239.2929 299.8843 -183577.5222 -149141.7234 299.6053 -123.8101 -90.5394 558001.1552 -0.1306 -0.0951 PRESSURE: 1549000 134.85 137.03 -182.301 137.031 -94.7721 -10.5579 -182.302 -10.5557 33.053 GPRESSURE: 1549000 158.204 154.914 -160.586 122.912 -20.3041 -40.4261 -126.649 92.1489 29.678 PRESSAVG: 1549000 30.9209 10.5498 11.4331 10.5498 4.60695 -17.678 11.4331 -17.678 -41.9403 GPRESSAVG: 1549000 30.7397 11.0686 11.8319 10.3755 3.50135 -16.9513 12.0951 -19.0249 -40.9762 TIMING: 1549000 CPU: 4667.08, 0.00308136/step Wall: 4667.08, 0.00308136/step, 2.95383 hours remaining, 208.675781 MB of memory in use. ENERGY: 1549000 728.7231 2061.8056 1907.1193 110.7227 -206112.9223 17850.8804 0.0000 0.0000 34215.7407 -149237.9307 298.8146 -183453.6713 -149141.4968 299.4601 24.3770 55.8594 556684.5442 -2.1375 -2.2451 PRESSURE: 1549200 47.1126 -25.6529 -13.8925 -25.6528 81.2577 -96.595 -13.8928 -96.5929 86.1032 GPRESSURE: 1549200 75.7367 -66.056 1.03756 -19.3704 79.647 -103.751 -11.4795 -91.2613 164.06 PRESSAVG: 1549200 -25.9533 -12.1639 -23.9554 -12.1639 42.3537 -53.9943 -23.9554 -53.9942 -7.90433 GPRESSAVG: 1549200 -25.3745 -12.0462 -29.5276 -14.2645 42.4924 -54.7562 -20.8058 -53.8608 -8.50527 TIMING: 1549200 CPU: 4667.7, 0.00305771/step Wall: 4667.7, 0.00305771/step, 2.93098 hours remaining, 208.675781 MB of memory in use. ENERGY: 1549200 772.0343 2065.4433 1926.3627 105.6894 -206272.8275 17979.4358 0.0000 0.0000 34120.8862 -149302.9758 297.9862 -183423.8620 -149207.5556 298.6065 71.4912 106.4814 556192.2501 2.8320 2.8709 PRESSURE: 1549400 -61.5121 -136.036 -112.355 -136.037 -110.34 57.6459 -112.354 57.6459 4.0712 GPRESSURE: 1549400 21.1341 -79.6522 -114.838 -130.556 -67.6847 -67.545 -40.4003 87.2916 -29.5919 PRESSAVG: 1549400 -31.0101 27.0446 -31.0475 27.0446 24.8973 -28.29 -31.0474 -28.2901 24.4128 GPRESSAVG: 1549400 -31.0737 26.0935 -27.6335 31.4158 26.5001 -29.288 -33.1858 -28.1983 22.7506 TIMING: 1549400 CPU: 4668.31, 0.0030499/step Wall: 4668.31, 0.0030499/step, 2.92333 hours remaining, 208.675781 MB of memory in use. ENERGY: 1549400 744.6241 2091.9899 1941.6995 102.1119 -206553.8346 17754.5105 0.0000 0.0000 34580.4231 -149338.4756 301.9994 -183918.8986 -149241.9574 298.9182 -55.9270 -25.3809 555356.2954 6.1000 6.0590 PRESSURE: 1549600 276.505 68.2552 -103.885 68.2554 44.3378 5.09693 -103.885 5.09917 82.4046 GPRESSURE: 1549600 313.71 41.2405 -57.3107 124.22 72.405 74.9747 -109.326 -41.8479 109.386 PRESSAVG: 1549600 -16.5593 32.399 -54.3797 32.399 31.3835 -27.4606 -54.3796 -27.4607 48.0636 GPRESSAVG: 1549600 -16.647 33.9632 -53.3015 30.159 29.3691 -26.9878 -54.4384 -26.6757 50.0034 TIMING: 1549600 CPU: 4668.92, 0.00308085/step Wall: 4668.92, 0.00308085/step, 2.95283 hours remaining, 208.675781 MB of memory in use. ENERGY: 1549600 732.9393 2095.5416 1952.1358 91.4449 -206414.7742 17975.1579 0.0000 0.0000 34103.7242 -149463.8307 297.8363 -183567.5549 -149367.4902 299.6905 134.4158 165.1671 555558.9939 20.9626 20.9085 PRESSURE: 1549800 -397.138 22.7066 71.2864 22.7067 -218.501 82.202 71.2864 82.2009 -156.454 GPRESSURE: 1549800 -350.75 23.7474 46.459 30.5441 -243.836 17.4877 32.1214 154.336 -91.8553 PRESSAVG: 1549800 4.37119 66.2613 -34.9743 66.2612 31.5772 36.9373 -34.9743 36.9373 -44.4419 GPRESSAVG: 1549800 4.0206 65.1373 -38.2175 66.8799 32.545 34.4556 -35.85 38.1428 -44.7613 TIMING: 1549800 CPU: 4669.53, 0.00304541/step Wall: 4669.53, 0.00304541/step, 2.91869 hours remaining, 208.675781 MB of memory in use. ENERGY: 1549800 776.1681 2075.3462 1918.9134 110.7548 -206073.1661 17443.4203 0.0000 0.0000 34228.7649 -149519.7984 298.9283 -183748.5633 -149427.7502 299.1249 -257.3645 -228.8138 558351.5264 -2.8312 -2.7319 PRESSURE: 1550000 -164.476 5.68057 -174.652 5.68148 93.0553 -58.2643 -174.652 -58.264 158.518 GPRESSURE: 1550000 -115.117 2.5912 -190.27 7.07781 175.813 -101.121 -142.438 34.0976 130.837 PRESSAVG: 1550000 -61.0423 39.1891 -2.5177 39.1892 -27.8108 12.7114 -2.51763 12.7113 76.8824 GPRESSAVG: 1550000 -59.81 39.3118 -1.19458 37.4517 -28.0889 14.0765 -0.697215 12.1064 76.3847 TIMING: 1550000 CPU: 4670.14, 0.00302575/step Wall: 4670.14, 0.00302575/step, 2.89968 hours remaining, 208.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1550000 695.4397 2060.1335 1942.2751 109.5396 -206027.6251 17633.6476 0.0000 0.0000 34190.1976 -149396.3920 298.5915 -183586.5896 -149300.7891 299.1226 29.0324 63.8442 557597.8575 -3.9902 -3.8381 PRESSURE: 1550200 -244.412 81.9258 18.0857 81.9258 231.597 119.012 18.0867 119.015 -91.9121 GPRESSURE: 1550200 -183.211 54.7996 -31.0752 64.8222 241.85 135.187 -59.882 159.981 -83.2911 PRESSAVG: 1550200 12.9855 -42.6869 19.5881 -42.6868 38.4653 1.52932 19.5881 1.52936 -7.99568 GPRESSAVG: 1550200 12.2927 -41.4868 17.4791 -42.0608 38.921 2.71658 19.909 0.0867389 -8.22643 TIMING: 1550200 CPU: 4670.74, 0.0030341/step Wall: 4670.74, 0.0030341/step, 2.90751 hours remaining, 208.675781 MB of memory in use. ENERGY: 1550200 774.1843 2101.7583 1916.2358 117.2547 -206298.6960 17849.7348 0.0000 0.0000 34151.3859 -149388.1422 298.2525 -183539.5281 -149308.4000 298.7494 -34.9091 -8.2172 557244.7931 14.4850 14.3291 PRESSURE: 1550400 -152.721 91.2635 -129.137 91.2629 -14.4288 -67.3709 -129.138 -67.3716 -255.575 GPRESSURE: 1550400 -85.052 58.2076 -167.013 111.303 -36.3492 -99.9124 -5.69625 11.1394 -203.736 PRESSAVG: 1550400 -0.202768 4.15103 24.2048 4.151 -8.65628 30.0741 24.2047 30.0742 2.80889 GPRESSAVG: 1550400 -0.699877 3.56834 25.9895 3.32143 -8.67413 30.8739 23.6247 31.043 3.21071 TIMING: 1550400 CPU: 4671.35, 0.00303747/step Wall: 4671.35, 0.00303747/step, 2.91057 hours remaining, 208.675781 MB of memory in use. ENERGY: 1550400 738.0976 2185.8104 1888.8798 106.7110 -205979.9700 17495.7735 0.0000 0.0000 34211.7347 -149352.9629 298.7796 -183564.6976 -149256.2825 299.1919 -140.9082 -108.3791 557185.2239 -2.0167 -2.0544 PRESSURE: 1550600 36.7532 44.2273 -2.55878 44.2273 -156.858 -66.7721 -2.55894 -66.7714 -39.2278 GPRESSURE: 1550600 37.2494 48.3912 23.0538 7.60192 -137.735 -74.5217 -47.7314 -26.1486 38.853 PRESSAVG: 1550600 63.6348 20.6048 59.4549 20.6048 4.06581 -37.3436 59.455 -37.3435 -47.0781 GPRESSAVG: 1550600 64.2627 23.118 59.8956 19.137 3.07736 -37.6812 57.9766 -38.0288 -46.9489 TIMING: 1550600 CPU: 4671.95, 0.00302231/step Wall: 4671.95, 0.00302231/step, 2.89588 hours remaining, 208.675781 MB of memory in use. ENERGY: 1550600 710.2106 2047.9686 1911.3346 114.7240 -206176.1339 17749.6241 0.0000 0.0000 34264.4618 -149377.8102 299.2401 -183642.2720 -149276.5827 298.7620 -53.1107 -20.5441 556776.9413 6.8742 6.7971 PRESSURE: 1550800 40.8846 119.61 119.549 119.609 -346.39 27.3376 119.548 27.3365 -237.448 GPRESSURE: 1550800 44.1355 126.914 68.7474 211.99 -246.549 -104.825 56.7563 116.512 -249.671 PRESSAVG: 1550800 40.9909 32.1012 7.34577 32.1012 46.6965 -36.0031 7.3458 -36.0032 -57.1465 GPRESSAVG: 1550800 40.3202 30.1966 6.96026 36.0709 46.9871 -37.7852 8.08021 -35.4084 -57.3752 TIMING: 1550800 CPU: 4672.56, 0.00301918/step Wall: 4672.56, 0.00301918/step, 2.89271 hours remaining, 208.675781 MB of memory in use. ENERGY: 1550800 736.1160 2036.9952 1920.5657 105.3696 -206330.0542 17793.2918 0.0000 0.0000 34272.7145 -149465.0014 299.3121 -183737.7159 -149362.5792 298.9266 -180.9845 -150.6945 557254.3391 10.1803 9.9774 PRESSURE: 1551000 -109.823 47.882 94.4866 47.882 56.2748 151.655 94.4861 151.654 99.8377 GPRESSURE: 1551000 -89.6267 53.8979 97.4758 29.426 67.7073 152.325 166.411 226.605 162.183 PRESSAVG: 1551000 89.7472 -14.4188 31.7276 -14.4187 -71.2672 -27.8716 31.7276 -27.8716 23.6279 GPRESSAVG: 1551000 89.3205 -14.4429 33.3956 -15.7621 -70.7195 -26.5519 30.2158 -27.5459 23.3938 TIMING: 1551000 CPU: 4673.16, 0.00302957/step Wall: 4673.16, 0.00302957/step, 2.9025 hours remaining, 208.675781 MB of memory in use. ENERGY: 1551000 762.3551 2035.0173 1907.1882 129.2133 -206677.3714 17938.6562 0.0000 0.0000 34444.4077 -149460.5335 300.8116 -183904.9412 -149369.2162 300.0438 15.4298 46.7545 557122.8218 14.0360 13.9983 PRESSURE: 1551200 81.2442 98.9575 -66.8089 98.9575 -133.211 104.948 -66.8097 104.948 -167.015 GPRESSURE: 1551200 123.763 93.0733 -50.8383 72.2417 -127.538 165.051 -49.9729 64.3755 -109.867 PRESSAVG: 1551200 37.1506 6.83863 -51.4173 6.83864 4.40745 3.38808 -51.4173 3.38819 -42.117 GPRESSAVG: 1551200 37.5897 6.64063 -51.5298 6.6363 3.30725 4.58364 -49.3959 0.950263 -41.6078 TIMING: 1551200 CPU: 4673.78, 0.00306659/step Wall: 4673.78, 0.00306659/step, 2.9378 hours remaining, 208.675781 MB of memory in use. ENERGY: 1551200 756.5850 2063.4436 1930.9067 116.5358 -206242.0371 17781.4521 0.0000 0.0000 34151.3947 -149441.7193 298.2526 -183593.1140 -149343.1102 299.8103 -72.9942 -37.8806 556812.7821 -0.1863 -0.2369 PRESSURE: 1551400 -64.5231 16.9101 3.53681 16.9081 -69.2181 -99.9959 3.53647 -99.9933 141.361 GPRESSURE: 1551400 -13.3216 19.5327 56.6844 8.95037 -51.8753 -52.7249 11.5119 -110.482 180.653 PRESSAVG: 1551400 -43.7038 17.2783 9.71596 17.2783 33.6284 9.53206 9.71598 9.53201 42.98 GPRESSAVG: 1551400 -44.6142 17.1723 9.06349 17.1121 34.5144 7.87631 9.17489 12.9906 43.3008 TIMING: 1551400 CPU: 4674.39, 0.0030649/step Wall: 4674.39, 0.0030649/step, 2.93601 hours remaining, 208.675781 MB of memory in use. ENERGY: 1551400 727.1756 2040.4080 1952.1323 113.9506 -206409.2771 17932.8273 0.0000 0.0000 34276.3065 -149366.4769 299.3435 -183642.7834 -149267.2034 298.5851 2.5400 38.4855 558203.6037 10.9682 11.0670 PRESSURE: 1551600 431.129 -100.285 -79.1525 -100.286 167.07 55.3986 -79.1522 55.3995 -9.45068 GPRESSURE: 1551600 468.388 -77.9996 -66.3973 -120.048 198.141 2.81789 -133.255 140.214 14.1608 PRESSAVG: 1551600 -15.9891 -6.52321 -25.1359 -6.52322 -31.9015 5.12581 -25.1359 5.12584 51.0231 GPRESSAVG: 1551600 -15.778 -6.28851 -25.5098 -7.12138 -31.8294 5.51367 -24.9424 4.39045 50.9689 TIMING: 1551600 CPU: 4675, 0.00306783/step Wall: 4675, 0.00306783/step, 2.93864 hours remaining, 208.675781 MB of memory in use. ENERGY: 1551600 770.3896 2070.6751 1958.4090 107.4923 -206396.1674 18017.8496 0.0000 0.0000 34145.9549 -149325.3968 298.2051 -183471.3518 -149228.7252 298.8158 196.2493 226.8964 556634.7586 1.0442 1.1205 PRESSURE: 1551800 -102.228 36.2434 12.1688 36.2427 -189.9 88.4346 12.1706 88.4354 -159.97 GPRESSURE: 1551800 -111.189 -78.2606 -43.038 94.4512 -102.678 132.922 -55.6765 80.0967 -146.178 PRESSAVG: 1551800 43.6105 -29.8508 -20.2777 -29.8508 -45.2651 -36.7402 -20.2777 -36.7401 40.2792 GPRESSAVG: 1551800 44.0706 -28.3682 -20.9126 -29.7743 -45.5409 -35.7163 -19.7079 -36.54 40.1519 TIMING: 1551800 CPU: 4675.62, 0.00306589/step Wall: 4675.62, 0.00306589/step, 2.93661 hours remaining, 208.675781 MB of memory in use. ENERGY: 1551800 720.3671 2139.2385 1944.4659 120.0116 -205920.9744 17480.0043 0.0000 0.0000 34190.7075 -149326.1794 298.5960 -183516.8869 -149223.5093 298.9839 -150.6994 -120.0148 556758.6391 12.8749 12.8939 PRESSURE: 1552000 -80.5083 -105.229 91.721 -105.229 -46.8653 0.262356 91.72 0.263916 -236.786 GPRESSURE: 1552000 -11.0261 -88.7281 120.95 -134.084 -62.6466 -78.846 60.5813 84.2581 -184.82 PRESSAVG: 1552000 66.1243 5.2064 15.0812 5.20635 20.6388 9.57764 15.0812 9.57757 -92.4352 GPRESSAVG: 1552000 65.1862 5.51236 18.4706 5.5579 21.3756 10.51 12.6029 8.12897 -92.6216 TIMING: 1552000 CPU: 4676.23, 0.00305737/step Wall: 4676.23, 0.00305737/step, 2.92828 hours remaining, 208.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1552000 786.4257 2097.0928 1908.8949 117.1895 -205835.0903 17581.2747 0.0000 0.0000 34102.4437 -149241.7690 297.8251 -183344.2127 -149148.3922 299.2852 -121.3866 -86.1643 556379.2617 -1.8907 -2.0199 PRESSURE: 1552200 213.145 -29.2701 129.619 -29.2693 -137.68 -167.086 129.62 -167.088 -81.0428 GPRESSURE: 1552200 248.339 -53.131 46.0505 -68.8661 -94.4037 -132.947 106.161 -201.926 -68.3388 PRESSAVG: 1552200 45.7842 36.6973 5.87397 36.6972 14.8368 -1.83245 5.87393 -1.83255 -67.7703 GPRESSAVG: 1552200 45.9647 34.3544 3.66381 36.0874 14.7622 -4.65383 5.23787 -1.40603 -67.7825 TIMING: 1552200 CPU: 4676.84, 0.00304304/step Wall: 4676.84, 0.00304304/step, 2.91439 hours remaining, 208.675781 MB of memory in use. ENERGY: 1552200 734.6030 2062.2540 1915.1102 107.5608 -206096.9870 17708.9326 0.0000 0.0000 34457.4525 -149111.0739 300.9255 -183568.5264 -149018.1633 299.3179 -1.8592 28.5322 556559.2250 -2.3831 -2.3519 LDB: ============= START OF LOAD BALANCING ============== 4680.36 LDB: ============== END OF LOAD BALANCING =============== 4680.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4680.36 LDB: ============= START OF LOAD BALANCING ============== 4680.67 LDB: Largest compute 4800 load 0.031640 is 26.8% of average load 0.117914 LDB: Average compute 0.001743 is 1.5% of average load 0.117914 LDB: TIME 4680.67 LOAD: AVG 0.117914 MAX 0.22222 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.23 MB LDB: TIME 4680.67 LOAD: AVG 0.117914 MAX 0.22222 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.301 MB LDB: TIME 4680.67 LOAD: AVG 0.117914 MAX 0.22222 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.301 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4680.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4680.67 PRESSURE: 1552400 167.065 -59.3201 65.007 -59.3207 -45.201 -70.6208 65.0071 -70.6184 140.86 GPRESSURE: 1552400 224.092 -121.214 67.3363 -84.316 -40.1885 -78.9986 81.4166 -87.4412 170.771 PRESSAVG: 1552400 -17.8307 21.8868 33.6995 21.8869 3.06569 -8.5401 33.6994 -8.54013 7.84139 GPRESSAVG: 1552400 -18.0058 21.374 35.5092 21.7064 2.82683 -7.70246 34.6137 -7.6306 9.00242 TIMING: 1552400 CPU: 4677.46, 0.00310272/step Wall: 4677.46, 0.00310272/step, 2.97137 hours remaining, 206.019531 MB of memory in use. ENERGY: 1552400 749.5524 2072.3858 1923.4807 114.8533 -206219.4177 17920.1861 0.0000 0.0000 34289.6306 -149149.3288 299.4599 -183438.9594 -149060.0398 299.8055 87.5744 118.2249 556145.5337 -2.3079 -2.0588 PRESSURE: 1552600 8.77755 128.153 29.9915 128.152 55.9712 -30.897 29.9897 -30.8962 124.711 GPRESSURE: 1552600 31.9876 182.071 61.0673 154.827 152.761 54.3587 26.1392 11.2939 104.216 PRESSAVG: 1552600 32.8225 60.0529 19.7121 60.0529 -15.9744 -44.9873 19.7121 -44.9873 24.0911 GPRESSAVG: 1552600 32.7763 63.2298 16.2118 59.4873 -15.4756 -44.8594 21.2584 -44.8129 23.991 TIMING: 1552600 CPU: 4678.07, 0.00304331/step Wall: 4678.07, 0.00304331/step, 2.91431 hours remaining, 206.019531 MB of memory in use. ENERGY: 1552600 741.9834 2113.4337 1925.9124 109.7175 -206394.5572 17762.1803 0.0000 0.0000 34440.7439 -149300.5861 300.7796 -183741.3299 -149206.3613 299.7861 63.1532 96.3214 554558.2969 13.6464 13.7639 PRESSURE: 1552800 -205.884 -67.1472 -127.5 -67.1473 -84.6768 76.6585 -127.501 76.6585 124.41 GPRESSURE: 1552800 -219.553 -31.7919 -81.7976 -75.277 -13.9939 116.629 -96.319 86.5574 159.38 PRESSAVG: 1552800 -52.9146 53.9241 37.3587 53.924 62.2241 -25.5246 37.3587 -25.5245 32.6931 GPRESSAVG: 1552800 -53.495 51.8472 40.0826 56.6884 62.8594 -25.957 35.3039 -26.2232 32.4218 TIMING: 1552800 CPU: 4678.68, 0.00305021/step Wall: 4678.68, 0.00305021/step, 2.92075 hours remaining, 206.019531 MB of memory in use. ENERGY: 1552800 780.9556 2011.7930 1927.7052 125.9881 -206276.6598 17849.0044 0.0000 0.0000 34151.4078 -149429.8057 298.2527 -183581.2135 -149328.4022 299.1287 -55.3838 -24.7222 557549.5539 14.0009 13.9287 PRESSURE: 1553000 36.1904 -25.534 91.81 -25.535 -72.1681 106.072 91.8102 106.07 160.595 GPRESSURE: 1553000 119.47 -57.5905 143.849 59.8317 -73.5029 115.158 -4.39021 28.1325 162.756 PRESSAVG: 1553000 -0.667366 -31.4263 70.1682 -31.4263 -71.2032 2.4574 70.1683 2.45743 74.7456 GPRESSAVG: 1553000 1.2122 -30.757 68.8564 -32.102 -72.0421 2.87215 71.8393 1.45244 73.5494 TIMING: 1553000 CPU: 4679.29, 0.00305773/step Wall: 4679.29, 0.00305773/step, 2.92778 hours remaining, 206.019531 MB of memory in use. ENERGY: 1553000 762.3007 2105.0046 1949.8616 115.4465 -206493.3317 17949.2007 0.0000 0.0000 34306.2761 -149305.2416 299.6052 -183611.5177 -149213.9007 299.1884 41.5390 69.5744 556467.1937 0.9583 0.9065 PRESSURE: 1553200 196.35 13.0488 -31.042 13.0487 -77.4091 -24.5162 -31.0418 -24.5173 -272.602 GPRESSURE: 1553200 211.512 21.2431 -55.708 117.832 -41.6697 -12.6605 -42.1032 -96.9518 -231.856 PRESSAVG: 1553200 71.3186 58.3755 10.1613 58.3755 -12.4882 -1.32846 10.1614 -1.32851 -30.6415 GPRESSAVG: 1553200 70.201 58.4674 9.18773 57.8915 -11.2926 0.666931 10.2267 -1.33939 -30.4291 TIMING: 1553200 CPU: 4679.9, 0.00304422/step Wall: 4679.9, 0.00304422/step, 2.91467 hours remaining, 206.019531 MB of memory in use. ENERGY: 1553200 729.8258 2028.4465 1947.5731 119.7040 -205922.1594 17613.8324 0.0000 0.0000 34095.4850 -149387.2927 297.7644 -183482.7777 -149278.4014 299.1804 -51.2204 -20.6712 556625.5675 9.3963 9.4931 PRESSURE: 1553400 -17.5719 14.189 127.105 14.1896 216.128 -175.174 127.106 -175.174 -165.977 GPRESSURE: 1553400 14.3533 62.4827 93.854 -19.2974 278.39 -207.877 94.8859 -149.189 -168.089 PRESSAVG: 1553400 -15.645 6.06249 15.0517 6.06263 27.73 -26.211 15.0517 -26.2111 -0.00937058 GPRESSAVG: 1553400 -15.3235 5.18413 17.2318 5.37671 27.7113 -28.2952 13.8169 -25.9817 -0.327153 TIMING: 1553400 CPU: 4680.51, 0.00305438/step Wall: 4680.51, 0.00305438/step, 2.92423 hours remaining, 206.019531 MB of memory in use. ENERGY: 1553400 719.6771 2138.9224 1963.8036 109.4007 -206387.0131 17821.9977 0.0000 0.0000 34146.4742 -149486.7374 298.2097 -183633.2116 -149393.1506 298.0937 10.8596 41.5514 556806.1124 4.0252 4.0202 PRESSURE: 1553600 -55.0111 54.3827 -72.2269 54.3825 98.4642 -56.0565 -72.2263 -56.0564 91.3588 GPRESSURE: 1553600 8.03857 45.6453 -119.391 33.2022 111.427 -4.44738 -85.5036 -26.2645 108.844 PRESSAVG: 1553600 -7.16367 15.4259 -38.8321 15.4259 55.0071 28.7741 -38.8321 28.7742 -47.7533 GPRESSAVG: 1553600 -6.84901 16.7495 -39.2154 13.7862 55.5231 29.8424 -39.1208 28.3478 -48.3797 TIMING: 1553600 CPU: 4681.12, 0.0030409/step Wall: 4681.12, 0.0030409/step, 2.91115 hours remaining, 206.019531 MB of memory in use. ENERGY: 1553600 735.9826 2073.6868 1904.2000 107.6128 -206193.2023 17720.8873 0.0000 0.0000 34355.1258 -149295.7070 300.0319 -183650.8328 -149199.9566 298.3562 44.9373 76.1032 557059.0852 0.0301 0.0981 PRESSURE: 1553800 -225.02 -38.2356 154.912 -38.2349 -239.824 -22.4224 154.913 -22.4222 133.881 GPRESSURE: 1553800 -170.717 -16.2091 74.8388 -71.6338 -253.474 56.2475 161.668 -24.9184 197.748 PRESSAVG: 1553800 -15.0247 -47.9643 -34.3903 -47.9644 24.5481 -4.30868 -34.3904 -4.30876 -0.385041 GPRESSAVG: 1553800 -16.9267 -49.749 -36.8339 -44.7866 23.9881 -6.0758 -33.3425 -3.53488 2.20332 TIMING: 1553800 CPU: 4681.73, 0.00305524/step Wall: 4681.73, 0.00305524/step, 2.92471 hours remaining, 206.019531 MB of memory in use. ENERGY: 1553800 755.4259 2075.5168 1948.4690 108.8051 -205940.0960 17608.6372 0.0000 0.0000 34243.6950 -149199.5471 299.0587 -183443.2420 -149105.9784 299.1790 -110.3207 -75.4809 558907.6437 3.0461 3.0882 PRESSURE: 1554000 -225.67 43.321 -24.6751 43.3203 -46.4012 104.407 -24.6748 104.407 -160.212 GPRESSURE: 1554000 -152.263 25.0722 -74.2475 56.1641 -25.4078 118.271 -9.12201 103.69 -156.545 PRESSAVG: 1554000 32.3139 15.9493 -21.7408 15.9493 -26.8071 29.2666 -21.7409 29.2668 62.7026 GPRESSAVG: 1554000 33.1171 15.1788 -19.8669 15.6755 -27.3211 29.1698 -21.0214 30.7575 61.6982 TIMING: 1554000 CPU: 4682.34, 0.00304702/step Wall: 4682.34, 0.00304702/step, 2.91668 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: 1554000 732.0895 2079.7369 1947.7946 124.0192 -205958.0214 17657.3201 0.0000 0.0000 34290.6049 -149126.4562 299.4684 -183417.0611 -149036.5936 299.5116 -144.0946 -111.4052 559761.2349 22.7365 22.4981 PRESSURE: 1554200 -58.6681 -13.7124 -65.1935 -13.7133 107.385 44.4145 -65.1926 44.4142 -96.2915 GPRESSURE: 1554200 -15.4289 -39.7653 52.6119 -142.582 82.188 57.3726 -156.42 103.871 -11.134 PRESSAVG: 1554200 22.6974 -7.50987 -53.9763 -7.5099 -27.5445 48.4023 -53.9763 48.4023 -9.35445 GPRESSAVG: 1554200 23.0156 -6.79635 -52.5095 -9.00803 -26.814 50.1309 -56.8122 47.1238 -10.5169 TIMING: 1554200 CPU: 4682.95, 0.00305177/step Wall: 4682.95, 0.00305177/step, 2.92105 hours remaining, 206.019531 MB of memory in use. ENERGY: 1554200 727.1470 2095.2572 1921.6258 104.1073 -206247.7323 17874.8938 0.0000 0.0000 34412.8567 -149111.8445 300.5360 -183524.7012 -149015.9467 299.6091 -15.8582 18.5417 558578.2136 -4.7338 -4.7718 PRESSURE: 1554400 7.01297 34.5558 -64.7696 34.5562 -185.3 42.5143 -64.7699 42.5138 91.3896 GPRESSURE: 1554400 -2.76891 -16.1137 -126.895 74.1795 -107.678 -4.34246 -49.9565 18.0363 111.344 PRESSAVG: 1554400 -16.811 29.5685 -57.0486 29.5685 27.9533 4.39958 -57.0487 4.39966 5.14407 GPRESSAVG: 1554400 -16.3275 29.9605 -57.9178 29.3661 27.3113 3.9717 -54.5484 4.13871 5.5796 TIMING: 1554400 CPU: 4683.56, 0.0030462/step Wall: 4683.56, 0.0030462/step, 2.91555 hours remaining, 206.019531 MB of memory in use. ENERGY: 1554400 728.4875 2098.8895 1906.4579 118.0738 -206422.3439 17935.4104 0.0000 0.0000 34388.3380 -149246.6868 300.3219 -183635.0248 -149149.3622 299.5819 -28.9657 0.2991 558032.0067 5.4288 5.5211 PRESSURE: 1554600 -28.6684 -107.623 -38.5431 -107.623 -32.2879 -9.63707 -38.544 -9.63533 -70.524 GPRESSURE: 1554600 -21.1024 -100.319 -39.3951 -70.6405 -0.996144 23.3353 -45.8907 -0.441419 -8.40375 PRESSAVG: 1554600 14.9626 44.9721 -18.3919 44.972 -46.0859 -5.47187 -18.392 -5.4718 30.8008 GPRESSAVG: 1554600 14.424 43.2951 -21.0104 46.5119 -46.5839 -6.11345 -20.1581 -4.25235 31.8846 TIMING: 1554600 CPU: 4684.17, 0.00305332/step Wall: 4684.17, 0.00305332/step, 2.9222 hours remaining, 206.019531 MB of memory in use. ENERGY: 1554600 753.2810 2091.5149 1913.2591 114.8993 -206301.7933 17832.5312 0.0000 0.0000 34222.2421 -149374.0657 298.8714 -183596.3078 -149275.9045 298.9569 -43.8268 -10.1674 557620.2357 -0.1075 -0.0918 PRESSURE: 1554800 68.5406 -153.774 -54.7362 -153.775 -193.094 63.9808 -54.7348 63.9814 162.365 GPRESSURE: 1554800 97.2167 -87.1628 -79.358 -151.147 -79.5263 67.1854 -17.539 57.0094 122.449 PRESSAVG: 1554800 -43.4911 -30.1326 -15.5255 -30.1327 -17.6938 -13.5794 -15.5254 -13.5794 72.7146 GPRESSAVG: 1554800 -43.6827 -29.7082 -13.9963 -29.9034 -17.1082 -14.0454 -13.5169 -13.8232 72.4178 TIMING: 1554800 CPU: 4684.78, 0.00304277/step Wall: 4684.78, 0.00304277/step, 2.91193 hours remaining, 206.019531 MB of memory in use. ENERGY: 1554800 742.2235 2037.9315 1915.9813 103.4897 -206117.1874 17736.5549 0.0000 0.0000 34234.4069 -149346.5995 298.9776 -183581.0064 -149249.0661 298.4315 12.6040 46.7130 557579.1976 3.8432 3.8756 PRESSURE: 1555000 51.9169 91.1625 -56.5139 91.1614 20.1253 153.259 -56.5128 153.261 -20.5219 GPRESSURE: 1555000 111.24 57.0481 -54.813 137.873 63.5343 87.4608 75.5572 199.366 -40.7554 PRESSAVG: 1555000 32.6894 8.68492 27.3658 8.68495 23.2616 49.56 27.3658 49.56 -63.4589 GPRESSAVG: 1555000 33.2477 9.50739 27.5999 8.06983 23.4367 50.4479 26.7166 48.4553 -64.1682 TIMING: 1555000 CPU: 4685.39, 0.0030693/step Wall: 4685.39, 0.0030693/step, 2.93715 hours remaining, 206.019531 MB of memory in use. ENERGY: 1555000 729.5761 2062.9223 1925.6277 96.6135 -206356.9047 17972.4244 0.0000 0.0000 34162.4178 -149407.3229 298.3489 -183569.7407 -149315.1081 298.5227 17.1735 44.6729 557857.8873 -2.5026 -2.4946 PRESSURE: 1555200 27.5071 -149.06 -129.406 -149.058 1.78003 166.245 -129.407 166.246 -251.955 GPRESSURE: 1555200 25.1043 -27.8985 -181.134 -280.913 35.2038 150.098 -104.457 89.6945 -179.445 PRESSAVG: 1555200 1.81287 5.9592 14.9073 5.95917 44.37 46.7161 14.9071 46.7161 -91.7663 GPRESSAVG: 1555200 0.7352 6.43991 14.5895 5.26069 44.6926 46.0337 15.7241 46.1452 -91.1972 TIMING: 1555200 CPU: 4686.01, 0.00309138/step Wall: 4686.01, 0.00309138/step, 2.9581 hours remaining, 206.019531 MB of memory in use. ENERGY: 1555200 754.8192 2086.5499 1903.1816 94.0099 -206339.5237 17868.7866 0.0000 0.0000 34186.4804 -149445.6963 298.5590 -183632.1767 -149347.3904 298.7782 -74.2225 -39.7124 558425.5985 -15.1944 -15.2565 PRESSURE: 1555400 -295.942 32.9233 130.853 32.9228 -242.422 -22.8036 130.853 -22.8044 -227.124 GPRESSURE: 1555400 -274.631 18.2666 120.219 -52.1151 -129.026 -40.8562 155.07 9.90128 -258.476 PRESSAVG: 1555400 6.88928 -6.45946 -41.361 -6.45942 31.1297 7.97476 -41.3608 7.97476 -38.1038 GPRESSAVG: 1555400 7.05455 -6.6684 -42.9587 -7.43054 30.261 7.96416 -40.3704 8.13341 -37.5319 TIMING: 1555400 CPU: 4686.62, 0.00307435/step Wall: 4686.62, 0.00307435/step, 2.94164 hours remaining, 206.019531 MB of memory in use. ENERGY: 1555400 756.6270 2116.4738 1922.5829 112.4009 -205860.6684 17460.8464 0.0000 0.0000 34297.5304 -149194.2071 299.5289 -183491.7375 -149099.0233 299.6233 -255.1628 -220.7109 557207.3252 -0.0283 -0.0721 PRESSURE: 1555600 132.442 80.7365 -60.934 80.7372 -105.3 -44.5747 -60.934 -44.5769 -81.061 GPRESSURE: 1555600 185.544 122.635 -148.842 -3.57612 -62.5561 -79.6132 -68.4882 -57.0181 -76.118 PRESSAVG: 1555600 23.2171 26.0044 -53.3981 26.0045 11.9604 2.68062 -53.3981 2.68056 -26.742 GPRESSAVG: 1555600 21.8883 27.1467 -51.3592 25.8113 12.1324 2.21663 -54.9686 2.77798 -25.9368 TIMING: 1555600 CPU: 4687.23, 0.00304262/step Wall: 4687.23, 0.00304262/step, 2.91112 hours remaining, 206.019531 MB of memory in use. ENERGY: 1555600 716.0827 2044.1832 1935.8902 111.3229 -206412.5538 17887.1784 0.0000 0.0000 34313.5654 -149404.3311 299.6689 -183717.8965 -149306.8448 298.9569 -17.9732 15.6234 558640.8440 2.8118 2.6947 PRESSURE: 1555800 -57.617 107.243 16.9939 107.243 16.332 -13.8515 16.9932 -13.8502 -238.48 GPRESSURE: 1555800 -7.5052 88.5652 29.5764 53.8371 7.53498 30.1206 -14.8285 37.5982 -190.79 PRESSAVG: 1555800 28.4234 75.7067 21.0513 75.7067 -1.22945 -1.37219 21.0513 -1.37226 -23.5188 GPRESSAVG: 1555800 28.9488 75.2885 19.0769 75.1522 -1.22983 -1.50082 21.2014 -0.103099 -24.6287 TIMING: 1555800 CPU: 4687.84, 0.00302038/step Wall: 4687.84, 0.00302038/step, 2.88967 hours remaining, 206.019531 MB of memory in use. ENERGY: 1555800 712.3782 2127.2565 1943.8227 121.3155 -205981.1262 17567.5568 0.0000 0.0000 34166.4876 -149342.3089 298.3844 -183508.7965 -149245.4834 299.4717 -93.2550 -63.5868 557463.1733 1.2251 1.0301 PRESSURE: 1556000 55.2672 -102.098 46.0584 -102.097 178.14 -24.2595 46.0585 -24.259 -73.5547 GPRESSURE: 1556000 139.323 -124.142 20.1917 -151.857 183.883 -70.7498 75.7746 -54.0398 -55.1476 PRESSAVG: 1556000 14.2103 28.4407 68.6296 28.4406 -29.0654 -10.0751 68.6296 -10.0751 -8.74135 GPRESSAVG: 1556000 15.7625 27.6863 69.2803 28.0749 -29.3818 -8.84132 71.2509 -11.2275 -9.93726 TIMING: 1556000 CPU: 4688.44, 0.00303624/step Wall: 4688.44, 0.00303624/step, 2.90467 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: 1556000 733.7300 2098.4275 1950.2453 114.6739 -206458.6643 17788.9949 0.0000 0.0000 34264.4922 -149508.1006 299.2403 -183772.5928 -149420.5001 298.9766 53.2842 89.3529 556260.5721 -7.8655 -7.8522 PRESSURE: 1556200 -22.3306 73.727 34.0552 73.7266 -13.7153 27.0707 34.0559 27.0697 72.1715 GPRESSURE: 1556200 -16.7553 127.37 95.5193 76.3155 29.2067 58.3907 -76.195 38.6808 113.746 PRESSAVG: 1556200 44.0215 11.7348 39.6621 11.7348 -33.1981 -81.6642 39.6622 -81.6643 -5.14558 GPRESSAVG: 1556200 42.6147 10.5252 42.2303 14.392 -32.7116 -82.1146 37.7245 -80.6721 -4.14452 TIMING: 1556200 CPU: 4689.04, 0.00300328/step Wall: 4689.04, 0.00300328/step, 2.87297 hours remaining, 206.019531 MB of memory in use. ENERGY: 1556200 772.2835 2070.3359 1920.9644 113.4200 -206551.9151 18019.0183 0.0000 0.0000 34255.5219 -149400.3711 299.1620 -183655.8931 -149298.7939 298.6949 12.0418 42.0658 558192.4209 1.8926 1.9195 LDB: ============= START OF LOAD BALANCING ============== 4692.56 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4692.56 LDB: =============== DONE WITH MIGRATION ================ 4692.57 LDB: ============= START OF LOAD BALANCING ============== 4692.87 LDB: Largest compute 4800 load 0.032126 is 27.3% of average load 0.117871 LDB: Average compute 0.001735 is 1.5% of average load 0.117871 LDB: TIME 4692.87 LOAD: AVG 0.117871 MAX 0.219505 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.07 MB LDB: TIME 4692.87 LOAD: AVG 0.117871 MAX 0.219505 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.07 MB LDB: TIME 4692.87 LOAD: AVG 0.117871 MAX 0.219505 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.07 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4692.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4692.88 PRESSURE: 1556400 127.239 158.885 -217.195 158.885 69.9802 -17.7252 -217.194 -17.7253 315.725 GPRESSURE: 1556400 138.952 149.777 -174.34 150.372 142.768 21.9075 -156.628 -45.0469 313.127 PRESSAVG: 1556400 40.7655 25.0995 6.91012 25.0995 -2.07207 -67.2321 6.91016 -67.2322 3.44931 GPRESSAVG: 1556400 41.7375 25.9489 5.29483 23.8485 -2.23439 -67.5784 5.70901 -67.9538 2.5586 TIMING: 1556400 CPU: 4689.66, 0.00309366/step Wall: 4689.66, 0.00309366/step, 2.95926 hours remaining, 206.792969 MB of memory in use. ENERGY: 1556400 752.4592 2108.0161 1905.0041 116.7216 -206538.0248 17948.9716 0.0000 0.0000 34251.7367 -149455.1156 299.1289 -183706.8523 -149359.8303 298.1950 170.9815 198.2823 555278.4564 14.0476 14.0206 PRESSURE: 1556600 -194.34 46.0513 173.944 46.0511 -282.398 -107.93 173.943 -107.932 -383.624 GPRESSURE: 1556600 -183.042 73.491 196.218 26.6395 -244.75 -160.464 100.33 -20.5055 -329.142 PRESSAVG: 1556600 -5.356 -6.15037 -32.1148 -6.15043 21.7965 -27.5827 -32.1148 -27.5828 -1.41019 GPRESSAVG: 1556600 -6.33196 -7.34045 -33.2664 -6.32555 23.5003 -27.861 -32.3533 -27.8646 -1.53146 TIMING: 1556600 CPU: 4690.27, 0.0030213/step Wall: 4690.27, 0.0030213/step, 2.88987 hours remaining, 206.792969 MB of memory in use. ENERGY: 1556600 786.0227 2112.9025 1928.8460 106.5505 -206643.1531 17655.7076 0.0000 0.0000 34456.3617 -149596.7621 300.9160 -184053.1238 -149507.1369 299.1184 -286.7874 -252.3114 556302.8101 5.0101 5.2123 PRESSURE: 1556800 -260.117 -89.0204 52.187 -89.02 -90.4052 112.092 52.1876 112.091 -36.2384 GPRESSURE: 1556800 -204.375 -53.3915 147.311 -104.941 -53.4513 156.728 -3.32941 55.4116 -39.0832 PRESSAVG: 1556800 -32.8675 -12.1634 43.1694 -12.1634 72.6108 -49.7045 43.1693 -49.7044 -28.9134 GPRESSAVG: 1556800 -32.4694 -11.1932 45.1002 -11.534 71.6681 -49.2596 44.7125 -47.904 -28.6293 TIMING: 1556800 CPU: 4690.87, 0.00300927/step Wall: 4690.87, 0.00300927/step, 2.8782 hours remaining, 206.792969 MB of memory in use. ENERGY: 1556800 720.6043 2147.9395 1927.6495 112.5158 -206499.2243 17683.0940 0.0000 0.0000 34147.1375 -149760.2837 298.2154 -183907.4212 -149653.5208 297.6393 -128.9202 -98.9698 557107.1856 3.6100 3.5231 PRESSURE: 1557000 47.6759 46.0882 -53.2026 46.0874 161.062 93.2777 -53.2043 93.279 -181.179 GPRESSURE: 1557000 57.6378 95.1546 -61.768 -5.24705 239.354 110.547 -74.6326 113.29 -186.123 PRESSAVG: 1557000 -28.6294 -5.66328 19.9364 -5.66335 32.9885 -0.288285 19.9365 -0.288204 12.4356 GPRESSAVG: 1557000 -28.7426 -6.96606 19.2908 -6.4087 32.876 -1.17807 19.8571 -1.16985 12.5997 TIMING: 1557000 CPU: 4691.48, 0.00303767/step Wall: 4691.48, 0.00303767/step, 2.9052 hours remaining, 206.792969 MB of memory in use. ENERGY: 1557000 721.1951 2087.5979 1917.1248 115.6102 -206873.6321 18036.3778 0.0000 0.0000 34072.6662 -149923.0600 297.5651 -183995.7263 -149827.7885 297.4737 9.1863 36.9563 556007.1663 5.5982 5.5777 PRESSURE: 1557200 165.296 132.856 -19.2135 132.857 162.362 -62.0823 -19.212 -62.0837 83.8206 GPRESSURE: 1557200 217.506 145.93 2.99734 127.913 169.698 -55.4357 -22.4166 -47.132 134.486 PRESSAVG: 1557200 3.06135 -2.90489 29.9036 -2.90484 48.3698 8.21203 29.9036 8.21201 23.5007 GPRESSAVG: 1557200 2.53803 -1.03579 28.7071 -4.14241 48.3426 10.5757 29.6746 5.59801 24.1504 TIMING: 1557200 CPU: 4692.09, 0.00305097/step Wall: 4692.09, 0.00305097/step, 2.91775 hours remaining, 206.792969 MB of memory in use. ENERGY: 1557200 748.1006 2061.3825 1927.4962 111.2514 -206651.4186 17983.8688 0.0000 0.0000 34001.8820 -149817.4370 296.9469 -183819.3190 -149722.6315 297.8423 137.1593 173.8969 554942.9202 24.9773 25.0103 PRESSURE: 1557400 -109.095 -126.954 72.6075 -126.954 -40.0048 -13.1925 72.6081 -13.1928 -74.826 GPRESSURE: 1557400 -87.0271 -63.1185 43.584 -86.6604 -9.78666 -35.8336 86.3779 -77.5397 -21.0446 PRESSAVG: 1557400 14.0201 5.05941 12.5435 5.05952 -6.18081 24.9841 12.5435 24.9841 18.0309 GPRESSAVG: 1557400 15.0693 7.07779 15.3435 4.3361 -6.44842 23.222 12.4421 26.8185 17.0736 TIMING: 1557400 CPU: 4692.7, 0.00306911/step Wall: 4692.7, 0.00306911/step, 2.93492 hours remaining, 206.792969 MB of memory in use. ENERGY: 1557400 741.2881 2136.9061 1908.8530 113.9921 -206190.8880 17594.2294 0.0000 0.0000 33985.5994 -149710.0200 296.8047 -183695.6193 -149608.1585 298.0687 -74.6420 -39.2861 556782.0628 8.6234 8.5648 PRESSURE: 1557600 12.921 -49.9465 -54.1382 -49.9463 121.053 119.995 -54.1376 119.996 -89.9046 GPRESSURE: 1557600 52.73 16.1403 -45.6058 33.1402 197.485 169.337 -38.5261 80.3637 -95.8765 PRESSAVG: 1557600 -4.85877 -55.0023 18.8325 -55.0024 52.8328 28.1573 18.8324 28.1572 -101.773 GPRESSAVG: 1557600 -6.8448 -57.0562 16.3568 -52.0814 52.9352 29.0878 18.3725 29.0508 -99.6304 TIMING: 1557600 CPU: 4693.31, 0.0030592/step Wall: 4693.31, 0.0030592/step, 2.92527 hours remaining, 206.792969 MB of memory in use. ENERGY: 1557600 735.5937 2090.8228 1956.3361 112.0502 -206343.0662 17787.0790 0.0000 0.0000 34119.2261 -149541.9583 297.9717 -183661.1844 -149445.2284 297.5487 14.6898 51.4463 557129.7693 -17.9329 -17.8467 PRESSURE: 1557800 39.9862 24.5388 1.59924 24.5386 -118.008 -109.148 1.59837 -109.151 120.865 GPRESSURE: 1557800 52.9198 -27.703 0.424544 35.2665 -42.3899 -173.388 -35.8028 -29.9748 126.883 PRESSAVG: 1557800 -19.4469 48.1236 20.0955 48.1236 -12.952 19.0685 20.0955 19.0685 12.9387 GPRESSAVG: 1557800 -16.7121 48.0847 20.0785 47.6738 -13.8822 16.6692 19.9232 20.6633 11.4521 TIMING: 1557800 CPU: 4693.92, 0.00302476/step Wall: 4693.92, 0.00302476/step, 2.89218 hours remaining, 206.792969 MB of memory in use. ENERGY: 1557800 776.9579 2060.9533 1924.8613 108.0130 -206183.3978 17629.7963 0.0000 0.0000 34240.9807 -149441.8352 299.0350 -183682.8159 -149344.6016 297.9639 14.2811 45.8044 555299.0430 -6.4867 -6.3807 PRESSURE: 1558000 -126.142 101.899 5.18101 101.898 219.002 -44.4031 5.18012 -44.4042 -216.345 GPRESSURE: 1558000 -38.1987 149.446 75.9661 147.791 238.974 -10.9233 -97.5742 -17.3359 -209.557 PRESSAVG: 1558000 -6.16267 29.0191 12.009 29.0191 20.1754 -7.841 12.009 -7.84104 0.348823 GPRESSAVG: 1558000 -5.86433 29.2247 11.6714 28.6047 20.602 -7.49193 13.3559 -9.41274 -0.22119 TIMING: 1558000 CPU: 4694.52, 0.00302836/step Wall: 4694.52, 0.00302836/step, 2.89545 hours remaining, 206.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1558000 708.4977 2044.6627 1913.9915 105.7254 -205819.4071 17565.1036 0.0000 0.0000 34040.1499 -149441.2763 297.2811 -183481.4263 -149341.7671 298.9565 -41.1617 -2.9271 556385.8941 4.7872 4.8388 PRESSURE: 1558200 124.2 23.0184 -46.6871 23.0178 -162.107 -20.3629 -46.6874 -20.3618 -55.4656 GPRESSURE: 1558200 145.668 109.015 -95.3329 -19.5348 -82.1785 -0.547656 -50.8976 12.0859 -55.8848 PRESSAVG: 1558200 8.15593 -3.30609 32.8346 -3.30616 -10.1693 12.3729 32.8346 12.3729 19.8597 GPRESSAVG: 1558200 6.29014 -4.4261 30.6297 -2.64976 -10.0094 12.0782 33.2074 13.7338 21.094 TIMING: 1558200 CPU: 4695.13, 0.00301615/step Wall: 4695.13, 0.00301615/step, 2.8836 hours remaining, 206.792969 MB of memory in use. ENERGY: 1558200 747.3486 2100.3468 1928.1305 124.9764 -206514.5402 17891.9976 0.0000 0.0000 34126.6333 -149595.1070 298.0364 -183721.7402 -149506.3861 298.0283 -31.1241 2.5349 556248.4701 5.9488 5.7916 PRESSURE: 1558400 -130.754 182.915 26.7884 182.915 -104.5 82.7786 26.7884 82.7782 14.9319 GPRESSURE: 1558400 -77.2985 65.744 72.0798 157.024 -77.1522 78.4414 -132.292 37.6903 39.4659 PRESSAVG: 1558400 46.317 41.2701 -48.9645 41.2701 -20.3481 -35.4887 -48.9646 -35.4886 -33.8125 GPRESSAVG: 1558400 46.9245 40.9314 -49.4003 39.8328 -20.467 -33.5931 -49.6562 -37.3299 -33.7821 TIMING: 1558400 CPU: 4695.73, 0.00301465/step Wall: 4695.73, 0.00301465/step, 2.88201 hours remaining, 206.792969 MB of memory in use. ENERGY: 1558400 722.2303 2072.5198 1937.1188 110.7816 -206647.3309 17938.2889 0.0000 0.0000 34207.6008 -149658.7907 298.7435 -183866.3915 -149559.7931 298.6113 -73.4409 -38.3283 558234.3420 -2.6145 -2.4415 PRESSURE: 1558600 107.521 29.9671 -149.459 29.967 -149.95 -56.6905 -149.458 -56.6913 -36.9726 GPRESSURE: 1558600 112.48 120.89 -92.8625 -33.4333 -80.2876 -85.9457 -290.24 -24.4144 -5.04463 PRESSAVG: 1558600 -4.77551 38.0702 -16.8575 38.0702 -0.0102349 26.1069 -16.8576 26.1069 -8.20781 GPRESSAVG: 1558600 -4.84219 40.4775 -13.3681 37.9162 1.19351 25.8844 -18.691 26.9975 -9.56281 TIMING: 1558600 CPU: 4696.33, 0.00300129/step Wall: 4696.33, 0.00300129/step, 2.86907 hours remaining, 206.792969 MB of memory in use. ENERGY: 1558600 748.4567 2131.5424 1953.7939 116.9095 -206303.0468 17580.0020 0.0000 0.0000 34233.3178 -149539.0246 298.9681 -183772.3423 -149439.9911 297.8520 -26.4672 9.0493 555452.0840 -4.3312 -4.4038 PRESSURE: 1558800 252.603 7.02723 73.9497 7.02637 73.6161 84.9927 73.9502 84.9925 7.99454 GPRESSURE: 1558800 309.873 31.0555 40.2329 -10.7814 68.3228 32.3058 85.3228 95.1562 60.512 PRESSAVG: 1558800 -19.9595 -11.2124 4.3981 -11.2124 -34.2143 -18.7746 4.39812 -18.7746 49.9576 GPRESSAVG: 1558800 -20.0312 -12.255 3.22182 -10.5648 -35.6358 -20.5827 6.19753 -18.8385 51.295 TIMING: 1558800 CPU: 4696.93, 0.00302734/step Wall: 4696.93, 0.00302734/step, 2.8938 hours remaining, 206.792969 MB of memory in use. ENERGY: 1558800 780.5687 2111.3992 1929.0731 114.4736 -206779.6851 18032.9486 0.0000 0.0000 34315.4930 -149495.7290 299.6857 -183811.2219 -149392.0527 297.9463 111.4046 146.2360 555148.3401 -1.4054 -1.4573 PRESSURE: 1559000 127.376 100.692 -38.7447 100.692 65.756 -9.57036 -38.7433 -9.57033 121.067 GPRESSURE: 1559000 169.81 2.38574 -27.2498 116.15 112.29 -11.919 -84.2685 -26.5935 133.955 PRESSAVG: 1559000 59.0582 5.9338 -35.6924 5.93377 -54.3932 -14.8707 -35.6923 -14.8707 -26.4926 GPRESSAVG: 1559000 58.6024 4.92661 -35.2708 5.80961 -54.2216 -12.5955 -37.6065 -14.3139 -26.4091 TIMING: 1559000 CPU: 4697.54, 0.00302324/step Wall: 4697.54, 0.00302324/step, 2.88972 hours remaining, 206.792969 MB of memory in use. ENERGY: 1559000 749.5477 2104.6424 1960.3059 112.9373 -206741.4953 18134.2495 0.0000 0.0000 34211.6415 -149468.1709 298.7788 -183679.8124 -149378.9249 299.2414 104.7331 138.6852 556893.1092 -7.2759 -7.3428 PRESSURE: 1559200 214.293 26.0712 -90.2656 26.071 348.049 39.8679 -90.2658 39.8677 -284.572 GPRESSURE: 1559200 309.317 27.2271 -36.7149 62.9289 366.027 10.7975 -82.7131 16.2177 -295.058 PRESSAVG: 1559200 35.6555 -2.20175 -38.3172 -2.20171 -41.6631 -57.8355 -38.3171 -57.8355 13.1742 GPRESSAVG: 1559200 36.3646 -0.0968026 -41.1317 -2.93294 -41.8067 -57.028 -37.3133 -58.1991 13.0624 TIMING: 1559200 CPU: 4698.14, 0.00301225/step Wall: 4698.14, 0.00301225/step, 2.87904 hours remaining, 206.792969 MB of memory in use. ENERGY: 1559200 767.0704 2030.5253 1942.1626 101.7548 -206434.7920 17913.0803 0.0000 0.0000 34139.5861 -149540.6125 298.1495 -183680.1986 -149443.0602 299.3940 92.5900 126.7621 556064.0493 2.3889 2.5401 PRESSURE: 1559400 152.216 -85.4738 -84.0515 -85.4741 23.3268 -79.0613 -84.0506 -79.0607 -288.5 GPRESSURE: 1559400 132.862 -89.85 -104.06 -94.5984 140.935 -19.624 -76.68 -91.6488 -273.729 PRESSAVG: 1559400 15.6848 -0.32975 -14.6382 -0.329893 19.3445 -29.6862 -14.6382 -29.6863 -92.8765 GPRESSAVG: 1559400 16.0958 -0.254806 -12.9236 0.443145 19.9201 -29.1787 -13.4405 -31.5815 -93.5941 TIMING: 1559400 CPU: 4698.74, 0.00300633/step Wall: 4698.74, 0.00300633/step, 2.87322 hours remaining, 206.792969 MB of memory in use. ENERGY: 1559400 763.9080 2037.0123 1964.6702 121.8304 -206645.3094 17913.1086 0.0000 0.0000 34353.7545 -149491.0256 300.0199 -183844.7800 -149392.5624 299.1450 -37.6522 0.0226 555867.1331 -19.2824 -19.1927 PRESSURE: 1559600 6.43537 38.9303 137.942 38.93 -45.1599 -68.2281 137.94 -68.2293 -218.082 GPRESSURE: 1559600 40.4237 40.9056 150.142 -18.3969 6.43553 -129.904 96.4098 -87.1122 -204.82 PRESSAVG: 1559600 10.307 13.7338 18.9417 13.7338 43.1361 -49.4222 18.9417 -49.4222 -34.0382 GPRESSAVG: 1559600 9.60604 11.7661 20.3292 13.7955 42.695 -50.9891 16.0251 -47.0348 -33.678 TIMING: 1559600 CPU: 4699.34, 0.00301152/step Wall: 4699.34, 0.00301152/step, 2.87801 hours remaining, 206.792969 MB of memory in use. ENERGY: 1559600 738.9437 2130.7249 1937.5305 128.8339 -205748.1579 17555.5844 0.0000 0.0000 34091.4111 -149165.1294 297.7288 -183256.5405 -149069.4630 298.9931 -85.6022 -52.6535 555658.3776 6.4683 6.2077 PRESSURE: 1559800 -1.23546 13.347 -37.288 13.3473 202.722 -249.017 -37.2879 -249.017 88.6709 GPRESSURE: 1559800 70.413 -12.6501 -34.0625 -51.6939 233.297 -183.998 -77.3476 -285.3 84.1494 PRESSAVG: 1559800 26.8353 -19.0332 -20.021 -19.0332 41.662 -63.8675 -20.021 -63.8676 -20.7931 GPRESSAVG: 1559800 27.0015 -16.8632 -19.5492 -19.2507 41.8955 -63.6597 -19.2562 -63.7083 -21.0325 TIMING: 1559800 CPU: 4699.95, 0.00303163/step Wall: 4699.95, 0.00303163/step, 2.89706 hours remaining, 206.792969 MB of memory in use. ENERGY: 1559800 735.7502 2085.0393 1950.3547 117.3225 -206094.7156 17725.9962 0.0000 0.0000 34364.2018 -149116.0509 300.1111 -183480.2527 -149024.2863 299.1075 96.7192 129.2865 556238.1506 15.9014 15.9548 PRESSURE: 1560000 -31.3216 -112.643 -110.623 -112.642 -12.5156 -48.5124 -110.622 -48.5122 137.05 GPRESSURE: 1560000 -2.76409 -132.979 -65.0532 -81.9086 43.0101 -16.1532 -123.036 -19.4595 146.69 PRESSAVG: 1560000 13.7658 0.374645 -18.6403 0.374642 20.8259 -23.232 -18.6403 -23.232 2.05563 GPRESSAVG: 1560000 13.2821 -2.39806 -19.229 2.78793 19.4369 -21.0111 -18.1689 -27.1777 3.76784 TIMING: 1560000 CPU: 4700.56, 0.00304289/step Wall: 4700.56, 0.00304289/step, 2.90765 hours remaining, 206.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1560000 773.7629 2063.5150 1922.8181 120.3151 -206284.8616 18049.8622 0.0000 0.0000 34352.6796 -149001.9087 300.0105 -183354.5883 -148909.5125 300.0789 31.0708 62.3120 557616.0165 12.2158 12.1623 PRESSURE: 1560200 195.606 -52.268 -130.946 -52.2685 306.195 181.746 -130.946 181.745 67.8675 GPRESSURE: 1560200 178.391 -86.702 -119.211 -82.9763 331.167 84.543 -131.737 308.274 154.967 PRESSAVG: 1560200 -39.8612 -52.0811 -8.29965 -52.0811 5.88602 3.7881 -8.29957 3.78808 31.0736 GPRESSAVG: 1560200 -39.1106 -48.6439 -7.17123 -54.5894 5.92004 0.254185 -9.70321 8.00523 29.7226 TIMING: 1560200 CPU: 4701.17, 0.00304877/step Wall: 4701.17, 0.00304877/step, 2.9131 hours remaining, 206.792969 MB of memory in use. ENERGY: 1560200 704.5626 2120.5079 1931.8431 110.2621 -206430.7244 18058.4232 0.0000 0.0000 34359.3612 -149145.7644 300.0688 -183505.1256 -149050.9013 299.5645 189.8896 221.5086 557638.6687 -0.9672 -1.1560 LDB: ============= START OF LOAD BALANCING ============== 4704.69 LDB: ============== END OF LOAD BALANCING =============== 4704.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4704.69 LDB: ============= START OF LOAD BALANCING ============== 4704.99 LDB: Largest compute 4800 load 0.031935 is 27.1% of average load 0.117810 LDB: Average compute 0.001745 is 1.5% of average load 0.117810 LDB: TIME 4704.99 LOAD: AVG 0.11781 MAX 0.218706 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.074 MB LDB: TIME 4704.99 LOAD: AVG 0.11781 MAX 0.218706 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.074 MB LDB: TIME 4704.99 LOAD: AVG 0.11781 MAX 0.218706 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.074 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4705 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4705 PRESSURE: 1560400 16.0842 -9.66632 -24.923 -9.66784 -108.212 12.2307 -24.9226 12.2292 -167.572 GPRESSURE: 1560400 56.3631 -27.3887 19.2861 -13.803 -26.8783 2.66231 60.8565 2.2093 -196.162 PRESSAVG: 1560400 -28.3014 -3.80555 -41.4502 -3.80564 42.0054 21.3951 -41.4502 21.3951 -3.63869 GPRESSAVG: 1560400 -28.5301 -6.28377 -41.7835 -2.87647 41.6257 22.6636 -39.2398 18.285 -3.30265 TIMING: 1560400 CPU: 4701.78, 0.00307404/step Wall: 4701.78, 0.00307404/step, 2.93707 hours remaining, 209.011719 MB of memory in use. ENERGY: 1560400 766.8769 2052.5934 1946.1106 116.3090 -206104.6547 17879.0868 0.0000 0.0000 34217.4324 -149126.2455 298.8293 -183343.6779 -149031.5338 299.5926 -86.5666 -55.5591 557376.2153 3.3551 3.2643 PRESSURE: 1560600 -21.9144 -6.67843 -143.347 -6.6773 -79.0853 14.8675 -143.348 14.8673 -198.655 GPRESSURE: 1560600 40.2188 29.8224 -162.35 -104.062 -53.7873 -8.55271 -133.599 89.6111 -201.473 PRESSAVG: 1560600 41.4689 -7.54032 10.6733 -7.54031 -20.6636 10.6278 10.6732 10.6278 32.6995 GPRESSAVG: 1560600 42.0356 -7.00412 10.0155 -8.31267 -20.095 9.49222 10.0022 14.0553 31.9248 TIMING: 1560600 CPU: 4702.39, 0.00300886/step Wall: 4702.39, 0.00300886/step, 2.87463 hours remaining, 209.156250 MB of memory in use. ENERGY: 1560600 720.8072 2097.1860 1937.5348 122.1931 -205925.4467 17556.2196 0.0000 0.0000 34318.1622 -149173.3439 299.7090 -183491.5061 -149081.9689 299.9017 -99.8850 -71.6804 556643.0907 17.8349 17.9551 PRESSURE: 1560800 -91.101 -39.7227 -28.1315 -39.7235 -188.834 -10.3117 -28.1331 -10.3117 -263.198 GPRESSURE: 1560800 -83.7325 -13.4861 -5.66798 -53.3663 -148.852 -50.0798 -5.08844 -113.438 -201.237 PRESSAVG: 1560800 35.2956 -4.22423 8.84021 -4.22416 -42.7028 -27.2422 8.84024 -27.2423 -0.691759 GPRESSAVG: 1560800 34.4214 -5.38141 8.6907 -3.49321 -41.2413 -25.4494 10.3362 -29.4856 -0.699673 TIMING: 1560800 CPU: 4702.99, 0.00302632/step Wall: 4702.99, 0.00302632/step, 2.89115 hours remaining, 209.156250 MB of memory in use. ENERGY: 1560800 732.9520 2036.6023 1938.1142 125.2746 -205902.6444 17332.6928 0.0000 0.0000 34411.7166 -149325.2919 300.5261 -183737.0085 -149230.7042 299.1900 -181.0442 -144.6071 556118.8672 -2.6997 -2.5065 PRESSURE: 1561000 126.794 204.831 -213.535 204.831 -272.318 92.344 -213.536 92.3445 17.1424 GPRESSURE: 1561000 157.593 212.231 -179.293 19.1415 -248.659 100.02 -228.043 160.343 62.8543 PRESSAVG: 1561000 53.7465 -22.576 16.5745 -22.576 39.1187 10.0187 16.5746 10.0187 -31.1409 GPRESSAVG: 1561000 54.2143 -21.4923 14.6468 -24.6365 37.9901 9.74888 17.2377 10.4085 -30.0694 TIMING: 1561000 CPU: 4703.6, 0.00303335/step Wall: 4703.6, 0.00303335/step, 2.89769 hours remaining, 209.156250 MB of memory in use. ENERGY: 1561000 732.1426 2122.5402 1930.4469 127.3120 -206122.6907 17717.6053 0.0000 0.0000 34078.5756 -149414.0681 297.6167 -183492.6437 -149315.5634 298.3277 -42.7936 -9.4040 558714.2104 20.5748 20.7117 PRESSURE: 1561200 -109.501 -16.6326 -269.63 -16.6317 -59.0625 -286.267 -269.629 -286.266 -137.598 GPRESSURE: 1561200 -35.2144 -30.4346 -235.012 -13.2801 -73.5527 -244.897 -205.724 -233.516 -108.903 PRESSAVG: 1561200 19.9861 39.5764 -53.3838 39.5765 -26.6333 2.35567 -53.3838 2.35568 15.5649 GPRESSAVG: 1561200 19.7291 38.1934 -52.5147 42.744 -26.5331 1.98488 -51.5173 1.77159 15.9788 TIMING: 1561200 CPU: 4704.21, 0.00304738/step Wall: 4704.21, 0.00304738/step, 2.91093 hours remaining, 209.156250 MB of memory in use. ENERGY: 1561200 747.4007 2150.2761 1909.7435 113.9701 -206236.3479 17577.1557 0.0000 0.0000 34285.9992 -149451.8026 299.4282 -183737.8019 -149361.7016 298.4435 -102.0537 -72.5566 556830.1383 2.9725 3.0583 PRESSURE: 1561400 91.8121 -26.2268 126.105 -26.2266 379.96 -53.3086 126.104 -53.3088 -7.30147 GPRESSURE: 1561400 101.235 -6.1016 42.8371 -76.4368 410.104 -39.4877 139.126 -101.663 52.3247 PRESSAVG: 1561400 66.8953 16.9969 -47.6036 16.9968 -6.47675 -33.8151 -47.6036 -33.8152 -96.968 GPRESSAVG: 1561400 67.0253 18.7377 -46.8326 14.0058 -6.21641 -31.2122 -50.4493 -34.5124 -97.3538 TIMING: 1561400 CPU: 4704.82, 0.00305474/step Wall: 4704.82, 0.00305474/step, 2.91778 hours remaining, 209.156250 MB of memory in use. ENERGY: 1561400 731.4911 2082.4298 1940.8184 107.0436 -206604.6367 18064.8198 0.0000 0.0000 34169.8356 -149508.1983 298.4137 -183678.0339 -149407.9961 298.6285 154.8235 187.8880 556206.7728 -12.1832 -12.1816 PRESSURE: 1561600 -143.963 143.097 -38.0629 143.096 54.9279 -37.2831 -38.0613 -37.2831 -162.007 GPRESSURE: 1561600 -126.049 70.4423 -91.7416 127.819 143.817 37.5587 3.85939 -69.2893 -186.017 PRESSAVG: 1561600 23.929 -5.43633 -10.2725 -5.43628 43.9678 -41.9234 -10.2726 -41.9234 -51.2033 GPRESSAVG: 1561600 25.0566 -5.40542 -10.855 -5.91271 43.7081 -44.197 -9.05199 -41.5774 -51.5007 TIMING: 1561600 CPU: 4705.43, 0.00307569/step Wall: 4705.43, 0.00307569/step, 2.93762 hours remaining, 209.156250 MB of memory in use. ENERGY: 1561600 762.1270 2071.9998 1897.6998 121.6516 -206419.9149 17663.5747 0.0000 0.0000 34259.1108 -149643.7512 299.1933 -183902.8620 -149550.3755 298.6978 -83.6808 -56.0830 555765.5771 5.5645 5.7547 PRESSURE: 1561800 -188.764 37.3707 114.945 37.3704 -64.9727 104.349 114.945 104.349 43.2389 GPRESSURE: 1561800 -136.102 56.4309 89.1998 89.5523 -21.7578 172.729 -52.6663 28.4111 40.9183 PRESSAVG: 1561800 -37.9438 39.8428 2.8679 39.8428 55.6627 6.83214 2.86794 6.83232 -14.0195 GPRESSAVG: 1561800 -39.4463 39.5279 3.88441 39.387 55.8669 8.47386 -0.59618 6.77607 -13.0598 TIMING: 1561800 CPU: 4706.05, 0.00308397/step Wall: 4706.05, 0.00308397/step, 2.94536 hours remaining, 209.156250 MB of memory in use. ENERGY: 1561800 731.5874 2091.2297 1952.3251 119.6598 -206524.7549 17851.8882 0.0000 0.0000 34031.9692 -149746.0956 297.2097 -183778.0647 -149652.0253 297.7555 -70.1660 -38.9805 557481.8266 1.2331 1.1203 PRESSURE: 1562000 -139.999 191.141 81.5125 191.141 -79.6186 107.024 81.5129 107.024 145.734 GPRESSURE: 1562000 -103.62 144.303 71.7796 204.479 -53.3864 82.0543 30.8702 125.498 178.925 PRESSAVG: 1562000 -35.0154 50.5693 53.7105 50.5694 -32.177 -2.90446 53.7105 -2.90453 32.2118 GPRESSAVG: 1562000 -35.123 49.456 53.3324 52.2441 -31.0195 -3.14717 53.8342 -3.6294 31.3989 TIMING: 1562000 CPU: 4706.67, 0.00308789/step Wall: 4706.67, 0.00308789/step, 2.94894 hours remaining, 209.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1562000 746.8445 2144.5955 1933.7749 112.8220 -206630.1025 17800.7892 0.0000 0.0000 34259.8307 -149631.4457 299.1996 -183891.2765 -149538.0302 298.5173 -24.6280 7.3061 557556.2466 -11.6602 -11.5812 PRESSURE: 1562200 14.6138 -24.9471 -7.64299 -24.9476 -57.2375 91.6388 -7.64203 91.6398 -66.8413 GPRESSURE: 1562200 17.3753 34.4238 25.0548 -41.9555 5.18523 20.6763 -42.444 140.322 -34.8955 PRESSAVG: 1562200 -12.2319 13.8549 9.78859 13.8548 31.9484 -21.8428 9.78876 -21.8428 26.0477 GPRESSAVG: 1562200 -12.6845 15.5182 8.5979 13.9493 31.6384 -23.2817 9.79188 -20.6206 26.8114 TIMING: 1562200 CPU: 4707.27, 0.00303358/step Wall: 4707.27, 0.00303358/step, 2.8969 hours remaining, 209.156250 MB of memory in use. ENERGY: 1562200 751.9651 2041.9237 1930.3369 104.4304 -206287.9656 17763.3652 0.0000 0.0000 34110.8138 -149585.1305 297.8982 -183695.9443 -149480.9741 298.6680 -36.4883 -4.1117 556416.2067 15.2548 15.2551 PRESSURE: 1562400 23.0904 56.391 -28.6225 56.3905 135.645 96.5389 -28.622 96.5383 1.33001 GPRESSURE: 1562400 69.6884 9.20669 -138.375 -42.4562 156.035 209.686 -55.3633 -78.704 19.719 PRESSAVG: 1562400 31.1356 -9.93943 -23.0297 -9.93948 -12.0277 27.2046 -23.0297 27.2047 -11.8181 GPRESSAVG: 1562400 32.0039 -10.4892 -23.1428 -13.4808 -12.7637 27.9687 -21.1496 25.8843 -12.6298 TIMING: 1562400 CPU: 4707.88, 0.00303327/step Wall: 4707.88, 0.00303327/step, 2.89644 hours remaining, 209.417969 MB of memory in use. ENERGY: 1562400 707.7808 2066.9335 1932.5987 118.5942 -206485.0932 17937.9368 0.0000 0.0000 34253.7197 -149467.5296 299.1463 -183721.2493 -149371.6204 298.5642 53.3552 81.8140 557417.1971 2.4299 2.2035 PRESSURE: 1562600 138.131 43.8293 102.314 43.8298 60.3576 37.0642 102.315 37.0649 226.027 GPRESSURE: 1562600 183.429 8.2799 91.4947 22.9113 83.2618 5.20694 74.3266 45.2867 253.716 PRESSAVG: 1562600 -0.74363 12.3156 -15.8731 12.3156 -6.79219 -45.3397 -15.873 -45.3397 -23.9395 GPRESSAVG: 1562600 -1.26101 13.473 -14.2787 14.1507 -6.94336 -46.171 -15.9854 -44.3086 -23.1954 TIMING: 1562600 CPU: 4708.49, 0.00304844/step Wall: 4708.49, 0.00304844/step, 2.91075 hours remaining, 209.417969 MB of memory in use. ENERGY: 1562600 696.4629 2069.7619 1924.5817 104.5054 -206343.3777 17918.1648 0.0000 0.0000 34132.3267 -149497.5745 298.0861 -183629.9012 -149399.2350 298.1415 141.5051 173.4690 555673.4548 -10.4918 -10.4666 PRESSURE: 1562800 -30.8194 -38.7925 93.2152 -38.7932 167.917 -99.1729 93.2149 -99.1736 14.235 GPRESSURE: 1562800 15.5575 -80.2584 38.5791 -29.0011 213.218 -9.77286 117.616 -38.1231 38.6334 PRESSAVG: 1562800 -42.1797 42.197 -12.9169 42.1972 21.3566 -32.0098 -12.9169 -32.0098 27.3972 GPRESSAVG: 1562800 -41.9787 41.0991 -12.2622 43.5854 22.3303 -31.9419 -13.562 -32.2114 26.38 TIMING: 1562800 CPU: 4709.1, 0.0030521/step Wall: 4709.1, 0.0030521/step, 2.91408 hours remaining, 209.417969 MB of memory in use. ENERGY: 1562800 764.9727 2066.1092 1931.1190 112.9616 -206249.6746 17882.0857 0.0000 0.0000 34090.2693 -149402.1571 297.7188 -183492.4264 -149300.7503 298.4660 50.4443 89.1362 556330.4514 2.1914 2.2438 PRESSURE: 1563000 71.5257 -50.19 45.2655 -50.1893 -72.5535 -16.4281 45.2652 -16.4272 -33.0461 GPRESSURE: 1563000 154.617 -86.6261 -16.1185 -42.8457 -121.861 -28.5638 29.1696 -0.601816 19.8297 PRESSAVG: 1563000 51.8376 -42.9244 6.2244 -42.9244 -76.261 9.15865 6.22454 9.15854 34.7243 GPRESSAVG: 1563000 52.0376 -43.0766 5.69772 -43.2627 -76.8626 7.92545 5.92501 10.039 34.9854 TIMING: 1563000 CPU: 4709.71, 0.00301977/step Wall: 4709.71, 0.00301977/step, 2.88304 hours remaining, 209.417969 MB of memory in use. ENERGY: 1563000 742.5652 2078.4999 1956.1642 92.2913 -206082.6853 17872.7255 0.0000 0.0000 34096.6249 -149243.8145 297.7743 -183340.4394 -149157.8276 298.5841 -11.3580 17.5286 556942.8745 3.4337 3.3868 PRESSURE: 1563200 158.628 -107.41 -29.4169 -107.411 94.0933 17.3304 -29.4179 17.3312 -11.5664 GPRESSURE: 1563200 182.234 -105.175 -64.0641 -106.863 137.717 57.8404 -48.4869 -65.7404 18.6536 PRESSAVG: 1563200 -10.0466 -14.9172 16.9221 -14.9172 54.8411 0.547848 16.922 0.547868 -47.2825 GPRESSAVG: 1563200 -10.1539 -14.5102 15.4162 -14.6805 55.4776 1.24755 19.0099 -0.814156 -47.3846 TIMING: 1563200 CPU: 4710.31, 0.003008/step Wall: 4710.31, 0.003008/step, 2.87164 hours remaining, 209.417969 MB of memory in use. ENERGY: 1563200 731.0751 2071.9661 1922.4132 115.6820 -206269.1421 17959.4321 0.0000 0.0000 34298.4934 -149170.0803 299.5373 -183468.5737 -149073.9384 299.4840 80.3850 112.8683 555647.5991 -0.8293 -0.6870 PRESSURE: 1563400 90.0665 -63.0491 -122.787 -63.0485 -417.515 -10.9304 -122.787 -10.9303 251.904 GPRESSURE: 1563400 120.909 -95.2009 -81.7059 -4.54481 -305.976 -116.629 -52.3828 42.2167 211.971 PRESSAVG: 1563400 2.67458 -8.37201 -16.935 -8.37202 -57.0911 -3.43285 -16.9349 -3.43284 50.5617 GPRESSAVG: 1563400 2.22083 -8.42798 -16.5152 -8.41021 -57.5133 -3.12461 -18.528 -1.59095 51.3567 TIMING: 1563400 CPU: 4710.91, 0.00301879/step Wall: 4710.91, 0.00301879/step, 2.88177 hours remaining, 209.417969 MB of memory in use. ENERGY: 1563400 714.6187 2085.5143 1920.3030 121.7937 -205845.2857 17627.4050 0.0000 0.0000 34200.8304 -149174.8206 298.6844 -183375.6510 -149075.8186 299.1227 -25.1817 8.9678 555843.3614 -1.2849 -1.3119 PRESSURE: 1563600 -57.7582 -27.2326 3.40399 -27.2321 -110.26 15.532 3.40466 15.533 88.5976 GPRESSURE: 1563600 -37.887 -44.3445 -59.6165 3.71453 -34.8637 -52.1275 33.6429 -39.5087 77.6348 PRESSAVG: 1563600 66.0364 41.0155 1.36281 41.0155 -40.2688 44.7859 1.36278 44.7858 -47.4481 GPRESSAVG: 1563600 65.7866 40.2964 2.09691 42.4437 -39.6367 43.2839 1.68618 43.963 -47.7378 TIMING: 1563600 CPU: 4711.52, 0.00303188/step Wall: 4711.52, 0.00303188/step, 2.8941 hours remaining, 209.628906 MB of memory in use. ENERGY: 1563600 722.3573 2058.4927 1923.5074 112.3481 -206040.2431 17714.7464 0.0000 0.0000 34246.8811 -149261.9102 299.0865 -183508.7913 -149167.6323 299.0924 -26.4735 1.6280 556504.2363 -7.2268 -7.1959 PRESSURE: 1563800 -296.183 -47.9199 -77.9258 -47.9195 -279.655 54.0525 -77.9257 54.052 -67.5657 GPRESSURE: 1563800 -304.386 24.5215 2.11826 -65.019 -202.432 65.8234 -66.6854 105.185 -26.6496 PRESSAVG: 1563800 -20.8433 -7.60983 -33.7588 -7.60991 20.0314 58.2249 -33.7587 58.2248 24.8024 GPRESSAVG: 1563800 -20.7216 -6.88817 -34.3598 -8.12262 19.9226 61.156 -33.5088 58.2767 25.1047 TIMING: 1563800 CPU: 4712.12, 0.00301723/step Wall: 4712.12, 0.00301723/step, 2.87995 hours remaining, 209.628906 MB of memory in use. ENERGY: 1563800 700.9311 2088.7206 1931.9963 115.5127 -205762.6937 17460.1784 0.0000 0.0000 34221.9441 -149243.4105 298.8687 -183465.3546 -149147.6299 299.4459 -214.4679 -177.8226 558964.7469 7.9968 8.1019 PRESSURE: 1564000 108.468 165.81 -47.2127 165.81 -169.096 -46.6392 -47.2116 -46.6373 -135.7 GPRESSURE: 1564000 99.5302 120.832 -27.7738 103.808 -104.024 -63.674 -92.5211 -60.7857 -82.466 PRESSAVG: 1564000 -33.4636 -35.2989 -41.4523 -35.2989 8.8392 37.887 -41.4524 37.887 -3.28829 GPRESSAVG: 1564000 -32.7022 -36.7189 -43.0996 -35.9846 8.49817 36.7103 -41.2277 38.3179 -3.68385 TIMING: 1564000 CPU: 4712.72, 0.00301483/step Wall: 4712.72, 0.00301483/step, 2.87749 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: 1564000 744.4368 2068.3642 1934.0598 103.2547 -205894.0467 17658.0323 0.0000 0.0000 34294.0248 -149091.8740 299.4982 -183385.8988 -148993.4938 299.3244 -65.4423 -28.9867 557883.8073 -9.3042 -9.2960 PRESSURE: 1564200 -324.446 -97.9311 117.534 -97.9307 85.6591 50.896 117.533 50.8957 -150.228 GPRESSURE: 1564200 -213.746 -108.096 33.3226 -61.0672 108.423 58.632 162.116 152.692 -188.999 PRESSAVG: 1564200 28.5776 -41.7701 9.35207 -41.7701 -5.41109 -2.34121 9.35214 -2.34123 -34.9175 GPRESSAVG: 1564200 28.0713 -41.139 10.7077 -41.7536 -5.90403 -0.480609 8.35479 -2.11173 -34.1594 TIMING: 1564200 CPU: 4713.33, 0.00303155/step Wall: 4713.33, 0.00303155/step, 2.89327 hours remaining, 209.628906 MB of memory in use. ENERGY: 1564200 764.9736 2039.4506 1961.0847 103.4561 -205901.3455 17599.3560 0.0000 0.0000 34126.0670 -149306.9574 298.0314 -183433.0245 -149205.4753 299.0019 -129.6715 -98.1073 557367.8819 -3.9170 -3.9974 LDB: ============= START OF LOAD BALANCING ============== 4716.85 LDB: ============== END OF LOAD BALANCING =============== 4716.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4716.85 LDB: ============= START OF LOAD BALANCING ============== 4717.15 LDB: Largest compute 4800 load 0.031234 is 26.5% of average load 0.117882 LDB: Average compute 0.001742 is 1.5% of average load 0.117882 LDB: TIME 4717.16 LOAD: AVG 0.117882 MAX 0.218043 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.59 MB LDB: TIME 4717.16 LOAD: AVG 0.117882 MAX 0.218043 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.59 MB LDB: TIME 4717.16 LOAD: AVG 0.117882 MAX 0.218043 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.59 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4717.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4717.16 PRESSURE: 1564400 -165.213 54.2619 -207.412 54.2632 -52.8728 122.382 -207.413 122.383 -11.5806 GPRESSURE: 1564400 -143.512 -68.4164 -186.453 21.5759 -7.06837 104.921 -182.637 120.518 13.3869 PRESSAVG: 1564400 -27.5757 -6.11425 -18.6648 -6.11421 50.8432 52.2839 -18.6648 52.2839 -1.15539 GPRESSAVG: 1564400 -26.2356 -3.41493 -18.0749 -9.26277 50.0083 49.3759 -17.3821 51.6468 -1.08752 TIMING: 1564400 CPU: 4713.95, 0.00308634/step Wall: 4713.95, 0.00308633/step, 2.94539 hours remaining, 207.304688 MB of memory in use. ENERGY: 1564400 757.3578 2044.5706 1951.8466 111.4257 -206033.4900 17647.2510 0.0000 0.0000 34169.4353 -149351.6029 298.4102 -183521.0382 -149251.8419 298.2961 -76.5556 -45.7312 557424.0982 7.3707 7.5617 PRESSURE: 1564600 24.5829 -52.6359 57.4294 -52.6358 -60.7477 13.3781 57.4286 13.3783 -87.1851 GPRESSURE: 1564600 41.4004 -41.7915 72.8387 -55.2759 -28.2117 68.2089 46.7544 10.9018 -34.1121 PRESSAVG: 1564600 62.8799 -49.5749 -4.56722 -49.5749 -7.6976 53.5014 -4.56722 53.5014 -71.5881 GPRESSAVG: 1564600 62.9902 -51.2416 -5.60041 -47.3981 -5.85029 53.8596 -5.94536 52.1107 -73.828 TIMING: 1564600 CPU: 4714.55, 0.00300355/step Wall: 4714.55, 0.00300355/step, 2.86622 hours remaining, 207.449219 MB of memory in use. ENERGY: 1564600 749.8398 2073.7630 1904.0935 109.5463 -206308.1913 17826.2511 0.0000 0.0000 34404.2031 -149240.4944 300.4605 -183644.6975 -149142.3361 299.2630 -41.1166 -6.9745 559513.8707 -5.4686 -5.5627 PRESSURE: 1564800 23.332 8.29419 36.9307 8.29393 -30.3217 -117.832 36.931 -117.832 96.0661 GPRESSURE: 1564800 -20.1536 110.894 109.098 -97.2359 78.5647 -138.638 -21.7087 50.5731 137.877 PRESSAVG: 1564800 25.9305 -35.5626 -8.59447 -35.5627 -22.3116 2.83619 -8.59444 2.83607 -28.8279 GPRESSAVG: 1564800 25.0278 -36.0415 -7.60396 -35.8979 -23.1718 2.67851 -9.07126 6.49298 -26.8747 TIMING: 1564800 CPU: 4715.15, 0.00302301/step Wall: 4715.15, 0.00302301/step, 2.88462 hours remaining, 207.449219 MB of memory in use. ENERGY: 1564800 800.2648 2025.7166 1949.2472 112.2866 -206284.2662 18021.8620 0.0000 0.0000 34048.0985 -149326.7905 297.3505 -183374.8890 -149233.4870 298.5256 29.6922 65.4294 559407.5357 -8.4030 -8.3396 PRESSURE: 1565000 66.0459 -132.518 168.151 -132.516 -194.759 -53.9107 168.151 -53.9114 -253.976 GPRESSURE: 1565000 51.0503 -146.692 167.104 -64.8895 -111.585 -1.14215 151.09 -127.243 -230.788 PRESSAVG: 1565000 8.32094 6.93801 55.7804 6.9381 32.2375 -22.4168 55.7804 -22.4168 -30.1171 GPRESSAVG: 1565000 7.96554 5.22435 56.005 8.29667 33.4681 -21.3668 54.8649 -24.2586 -31.0162 TIMING: 1565000 CPU: 4715.76, 0.00303606/step Wall: 4715.76, 0.00303606/step, 2.8969 hours remaining, 207.574219 MB of memory in use. ENERGY: 1565000 782.7237 2061.1631 1942.2657 136.9280 -206571.5815 17931.8907 0.0000 0.0000 34388.1905 -149328.4200 300.3206 -183716.6105 -149238.3880 298.7926 -127.5628 -97.1074 558366.7305 3.4804 3.4725 PRESSURE: 1565200 373.856 35.5847 99.3117 35.5856 100.672 -124.968 99.3114 -124.966 274.903 GPRESSURE: 1565200 411.209 132.294 39.5555 -45.6771 164.668 -112.682 47.0417 -114.756 265.702 PRESSAVG: 1565200 72.185 30.3571 -44.1715 30.357 -2.04026 -2.20383 -44.1715 -2.20379 -96.2656 GPRESSAVG: 1565200 73.549 31.2452 -44.7063 29.0964 -1.95826 -2.49645 -44.0753 -3.46822 -96.8819 TIMING: 1565200 CPU: 4716.37, 0.00303996/step Wall: 4716.37, 0.00303996/step, 2.90046 hours remaining, 207.574219 MB of memory in use. ENERGY: 1565200 735.3307 2121.8929 1962.3821 129.3584 -206843.2834 18212.0486 0.0000 0.0000 34254.9796 -149427.2911 299.1573 -183682.2707 -149325.5130 299.7080 249.8104 280.5265 556763.1553 -8.7069 -8.4304 PRESSURE: 1565400 173.719 99.7323 39.1563 99.7314 142.188 153.636 39.1567 153.636 148.331 GPRESSURE: 1565400 204.496 151.098 31.6547 66.0372 135.769 189.756 57.0321 91.9011 227.356 PRESSAVG: 1565400 15.0694 57.4797 6.37077 57.4797 28.4477 35.7366 6.37084 35.7366 -41.4645 GPRESSAVG: 1565400 13.5447 59.1277 6.55256 56.9726 27.8899 34.9608 8.3269 37.8893 -39.1524 TIMING: 1565400 CPU: 4716.98, 0.00308354/step Wall: 4716.98, 0.00308354/step, 2.94187 hours remaining, 207.574219 MB of memory in use. ENERGY: 1565400 760.5450 2102.4746 1936.9224 103.9850 -206760.4173 18163.8934 0.0000 0.0000 34264.1030 -149428.4938 299.2369 -183692.5968 -149334.9060 298.7667 154.7462 189.2070 556196.2327 0.6842 0.7607 PRESSURE: 1565600 -60.2504 271.653 65.0396 271.652 193.841 110.697 65.0404 110.698 -105.916 GPRESSURE: 1565600 -16.7691 269.877 73.4865 303.463 195.027 112.134 10.3105 56.5397 -68.5965 PRESSAVG: 1565600 -50.5586 41.9966 15.8135 41.9967 35.8098 28.251 15.8136 28.2511 3.9983 GPRESSAVG: 1565600 -49.8945 41.8713 14.08 42.4704 36.4373 28.6596 15.2721 27.82 2.53875 TIMING: 1565600 CPU: 4717.59, 0.00305361/step Wall: 4717.59, 0.00305361/step, 2.91314 hours remaining, 207.574219 MB of memory in use. ENERGY: 1565600 767.3570 2115.0155 1929.0871 112.2730 -206214.9711 17851.2422 0.0000 0.0000 34140.6204 -149299.3758 298.1585 -183439.9962 -149200.1205 298.8271 9.2246 36.5538 556611.6346 -3.5835 -3.6395 PRESSURE: 1565800 154.183 -85.6543 -255.521 -85.6538 153.824 -28.78 -255.52 -28.7793 92.3991 GPRESSURE: 1565800 251.884 -118.45 -178.943 -39.5491 164.047 34.0679 -409.314 -107.307 89.5301 PRESSAVG: 1565800 11.8698 71.9463 -15.3716 71.9462 16.9642 30.3786 -15.3717 30.3785 -27.655 GPRESSAVG: 1565800 10.8996 69.4838 -14.2048 71.8911 18.1375 29.5418 -15.5474 31.3106 -27.2165 TIMING: 1565800 CPU: 4718.2, 0.00303833/step Wall: 4718.2, 0.00303833/step, 2.8984 hours remaining, 207.574219 MB of memory in use. ENERGY: 1565800 777.6914 2111.6148 1929.7607 112.6927 -206266.4591 17920.6740 0.0000 0.0000 34287.8900 -149126.1355 299.4447 -183414.0255 -149029.4173 299.5311 133.4686 168.4871 556212.0071 0.3930 0.6068 PRESSURE: 1566000 57.5366 -2.18972 161.604 -2.18914 -48.4815 69.8717 161.605 69.8725 -396.816 GPRESSURE: 1566000 100.558 -72.0073 109.593 83.2911 -112.2 78.6899 138.452 55.6675 -281.914 PRESSAVG: 1566000 72.7992 1.07309 -1.52539 1.07311 -13.1297 -50.336 -1.52532 -50.336 -27.893 GPRESSAVG: 1566000 73.6546 2.16305 -2.07163 0.843503 -14.5277 -51.4496 -0.357527 -52.3773 -27.9359 TIMING: 1566000 CPU: 4718.81, 0.00303626/step Wall: 4718.81, 0.00303626/step, 2.89625 hours remaining, 207.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1566000 803.6788 2124.9681 1915.7757 116.9243 -206104.9391 17650.0523 0.0000 0.0000 34326.4090 -149167.1309 299.7811 -183493.5399 -149070.4701 299.8769 -129.2537 -97.8521 556216.4528 10.5922 10.3970 PRESSURE: 1566200 -267.372 65.4255 -70.3514 65.4261 -13.9167 220.261 -70.3513 220.261 262.558 GPRESSURE: 1566200 -203.808 70.1932 -54.1285 44.9468 -21.668 228.98 -75.616 170.847 297.455 PRESSAVG: 1566200 7.76756 25.4129 53.1976 25.413 -46.9789 22.0967 53.1976 22.0969 21.3539 GPRESSAVG: 1566200 6.90285 24.2199 53.9556 25.305 -46.8566 26.1215 52.8572 21.8754 21.9521 TIMING: 1566200 CPU: 4719.42, 0.0030425/step Wall: 4719.42, 0.0030425/step, 2.90203 hours remaining, 207.574219 MB of memory in use. ENERGY: 1566200 774.3549 2089.3104 1922.4131 115.0100 -206435.8797 17975.1892 0.0000 0.0000 34369.5820 -149190.0202 300.1581 -183559.6022 -149094.6854 299.3672 -6.2438 23.9930 556286.4092 -5.9525 -6.0006 PRESSURE: 1566400 -392.195 38.795 -133.744 38.7943 -325.782 -116.401 -133.744 -116.4 78.177 GPRESSURE: 1566400 -316.451 60.7155 -146.504 55.0192 -323.469 -105.898 -107.031 -80.7625 81.9264 PRESSAVG: 1566400 -24.2273 18.2579 16.3158 18.2579 5.94103 -26.3012 16.3158 -26.301 38.5432 GPRESSAVG: 1566400 -24.3592 18.2165 16.5582 18.4752 5.78588 -28.4727 17.3174 -25.1034 38.4362 TIMING: 1566400 CPU: 4720.03, 0.00305361/step Wall: 4720.03, 0.00305361/step, 2.91246 hours remaining, 207.574219 MB of memory in use. ENERGY: 1566400 771.2846 2112.1883 1899.2837 104.4063 -206251.9318 17623.4127 0.0000 0.0000 34551.0233 -149190.3330 301.7427 -183741.3563 -149102.1384 299.6683 -213.2668 -185.9978 557363.4773 6.7523 6.6209 PRESSURE: 1566600 -250.291 65.4377 88.4494 65.4381 62.7228 -178.073 88.4502 -178.073 -52.463 GPRESSURE: 1566600 -190.061 107.497 59.8917 104.883 131.899 -103.442 126.189 -147.765 -72.5784 PRESSAVG: 1566600 -45.3267 38.7248 -23.4047 38.7249 1.85944 0.489845 -23.4049 0.489898 40.6071 GPRESSAVG: 1566600 -44.3655 39.3496 -23.7379 38.6677 1.1529 0.221938 -23.4457 -0.313341 40.7876 TIMING: 1566600 CPU: 4720.64, 0.00303832/step Wall: 4720.64, 0.00303832/step, 2.89772 hours remaining, 207.574219 MB of memory in use. ENERGY: 1566600 768.1798 2071.7922 1926.8659 120.7685 -206071.9347 17640.5704 0.0000 0.0000 34281.5304 -149262.2275 299.3891 -183543.7579 -149172.2544 299.5297 -80.0103 -43.5800 557183.9923 -0.9534 -0.8083 PRESSURE: 1566800 -204.268 92.9122 9.97759 92.9117 -46.7298 20.3663 9.97755 20.3666 75.0344 GPRESSURE: 1566800 -178.18 37.9209 69.9303 38.3896 -0.896666 38.9404 -26.7758 68.0328 94.2559 PRESSAVG: 1566800 33.1516 -19.9829 -17.281 -19.9829 -36.2582 18.1028 -17.281 18.1027 7.69438 GPRESSAVG: 1566800 32.7638 -18.2693 -16.0916 -21.7769 -34.921 18.571 -17.9184 18.7868 6.29174 TIMING: 1566800 CPU: 4721.24, 0.00301163/step Wall: 4721.24, 0.00301163/step, 2.87209 hours remaining, 207.574219 MB of memory in use. ENERGY: 1566800 727.9443 2103.5346 1910.5710 109.7870 -206127.6706 17611.2092 0.0000 0.0000 34407.1955 -149257.4292 300.4866 -183664.6246 -149159.0279 299.2546 -58.6546 -28.2735 556601.0674 1.5293 1.3782 PRESSURE: 1567000 246.269 25.4849 -14.22 25.4843 -71.3805 57.8731 -14.2213 57.8723 115.676 GPRESSURE: 1567000 286.388 -53.8058 -4.63227 28.1918 -46.4823 108.211 -35.7982 68.0006 130.973 PRESSAVG: 1567000 -26.0009 11.9214 4.91041 11.9214 7.61843 -29.8817 4.91035 -29.8815 53.2934 GPRESSAVG: 1567000 -25.9702 9.9797 2.38609 13.3332 6.113 -29.1487 5.00615 -27.8602 54.403 TIMING: 1567000 CPU: 4721.84, 0.00302421/step Wall: 4721.84, 0.00302421/step, 2.88392 hours remaining, 207.574219 MB of memory in use. ENERGY: 1567000 702.7237 2102.2828 1926.9087 109.4381 -206127.1915 17777.3435 0.0000 0.0000 34124.4023 -149384.0924 298.0169 -183508.4947 -149289.1929 299.0589 96.8550 123.6261 555963.0101 11.6370 11.5153 PRESSURE: 1567200 -23.3107 121.42 -60.6072 121.421 77.3867 162.73 -60.6066 162.729 -27.7324 GPRESSURE: 1567200 4.62717 86.6437 -97.3754 136.564 121.188 131.496 60.1557 100.917 4.03175 PRESSAVG: 1567200 -81.3312 9.65182 21.0064 9.65182 -19.0987 1.11108 21.0064 1.11104 83.6715 GPRESSAVG: 1567200 -81.5442 9.75218 21.2663 8.26172 -17.9814 0.115531 21.9942 -0.745341 83.5742 TIMING: 1567200 CPU: 4722.45, 0.00304624/step Wall: 4722.45, 0.00304624/step, 2.90476 hours remaining, 207.574219 MB of memory in use. ENERGY: 1567200 751.0489 2023.3639 1955.7663 103.8447 -206222.0269 17934.5816 0.0000 0.0000 34136.6883 -149316.7332 298.1242 -183453.4216 -149223.2115 298.9950 8.7812 43.2824 557643.6021 -5.5862 -5.3171 PRESSURE: 1567400 -356.29 10.8564 -124.761 10.8569 -345.783 98.9838 -124.761 98.9855 -282.553 GPRESSURE: 1567400 -280.638 97.864 -99.1246 12.9191 -308.922 127.025 -35.7582 115.239 -287.173 PRESSAVG: 1567400 -49.438 23.0949 34.1592 23.0948 34.5882 -3.90772 34.1592 -3.90771 30.8169 GPRESSAVG: 1567400 -49.511 24.9751 35.0208 22.4643 34.7187 -5.87228 33.4924 -4.22086 30.2423 TIMING: 1567400 CPU: 4723.06, 0.00303822/step Wall: 4723.06, 0.00303822/step, 2.89694 hours remaining, 207.574219 MB of memory in use. ENERGY: 1567400 768.4070 2063.0824 1928.5532 117.4048 -205848.7684 17484.2101 0.0000 0.0000 34239.0348 -149248.0761 299.0180 -183487.1109 -149152.3085 299.1133 -328.2089 -292.2443 559208.8318 5.3224 5.1500 PRESSURE: 1567600 187.108 54.9797 -160.251 54.979 8.73459 188.985 -160.252 188.984 150.438 GPRESSURE: 1567600 242.355 57.2555 -140.002 38.2817 48.949 176.061 -142.037 205.081 145.721 PRESSAVG: 1567600 -28.8446 96.169 8.52108 96.1689 63.273 13.5794 8.52106 13.5795 11.3795 GPRESSAVG: 1567600 -28.0735 95.316 8.49524 96.8816 63.1858 16.2192 9.12755 13.5275 11.6467 TIMING: 1567600 CPU: 4723.67, 0.00304131/step Wall: 4723.67, 0.00304131/step, 2.89972 hours remaining, 207.574219 MB of memory in use. ENERGY: 1567600 741.4295 2060.7259 1922.2269 115.1363 -206335.5977 17963.3828 0.0000 0.0000 34329.4168 -149203.2795 299.8073 -183532.6963 -149100.8053 299.4115 115.4266 145.6750 557531.4463 15.2693 15.5863 PRESSURE: 1567800 7.51284 -45.1061 69.9127 -45.1069 -113.004 7.59853 69.9126 7.59854 -212.715 GPRESSURE: 1567800 54.0626 -55.8809 26.1163 -63.8914 -60.8373 18.1517 27.8949 60.3987 -213.165 PRESSAVG: 1567800 27.2091 0.0515036 28.2537 0.0514838 2.14103 40.0677 28.2538 40.0679 -38.797 GPRESSAVG: 1567800 26.5938 0.816749 29.512 0.212716 2.36398 39.6384 27.0619 40.2282 -39.2181 TIMING: 1567800 CPU: 4724.28, 0.00303672/step Wall: 4724.28, 0.00303672/step, 2.89518 hours remaining, 207.574219 MB of memory in use. ENERGY: 1567800 735.6177 2108.3055 1967.1268 116.3368 -206133.3591 17784.8034 0.0000 0.0000 34309.6546 -149111.5144 299.6347 -183421.1689 -149016.6277 299.8325 -106.0687 -73.3133 557606.5761 -3.1490 -3.4201 PRESSURE: 1568000 -90.1925 41.3452 -48.4424 41.3452 174.178 98.5763 -48.4419 98.5766 -137.683 GPRESSURE: 1568000 -2.41124 18.88 -75.8707 -7.69531 173.875 61.5798 -51.3364 47.7028 -140.181 PRESSAVG: 1568000 8.68169 23.1963 -20.0989 23.1964 33.5054 -34.7706 -20.0989 -34.7704 -54.6995 GPRESSAVG: 1568000 7.99282 22.232 -22.3787 24.3267 33.3459 -35.5022 -18.7457 -35.3617 -53.3574 TIMING: 1568000 CPU: 4724.89, 0.00305969/step Wall: 4724.89, 0.00305969/step, 2.91691 hours remaining, 207.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1568000 745.0754 2055.7760 1948.8154 110.6829 -205982.7495 17685.5022 0.0000 0.0000 34365.2730 -149071.6247 300.1205 -183436.8976 -148969.8829 300.0291 -17.8993 10.4275 559085.8238 -4.1708 -4.0062 PRESSURE: 1568200 15.7116 -157.17 -46.96 -157.172 52.5736 93.5834 -46.9601 93.5825 24.4161 GPRESSURE: 1568200 49.3055 -127.162 -75.6966 -167.431 44.4911 90.4512 -4.68206 89.6247 99.4317 PRESSAVG: 1568200 -48.9459 -1.93202 25.4076 -1.93194 39.1324 42.9937 25.4077 42.9937 6.2524 GPRESSAVG: 1568200 -47.1251 -1.99079 26.8077 -4.59512 38.3772 43.3895 23.8658 44.134 4.83108 TIMING: 1568200 CPU: 4725.49, 0.00302675/step Wall: 4725.49, 0.00302674/step, 2.88532 hours remaining, 207.574219 MB of memory in use. ENERGY: 1568200 691.0890 2030.8549 1938.9498 116.8162 -206144.4074 17684.7344 0.0000 0.0000 34435.0065 -149246.9566 300.7295 -183681.9631 -149150.8675 299.3541 30.9004 64.4094 557249.0644 -1.1870 -1.3056 LDB: ============= START OF LOAD BALANCING ============== 4729.01 LDB: ============== END OF LOAD BALANCING =============== 4729.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4729.02 LDB: ============= START OF LOAD BALANCING ============== 4729.32 LDB: Largest compute 4800 load 0.030972 is 26.3% of average load 0.117825 LDB: Average compute 0.001737 is 1.5% of average load 0.117825 LDB: TIME 4729.32 LOAD: AVG 0.117825 MAX 0.221197 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.758 MB LDB: TIME 4729.32 LOAD: AVG 0.117825 MAX 0.221197 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.961 MB LDB: TIME 4729.32 LOAD: AVG 0.117825 MAX 0.221197 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.961 MB LDB: ============== END OF LOAD BALANCING =============== 4729.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4729.33 PRESSURE: 1568400 -109.911 161.353 -178.344 161.352 56.8786 -83.9916 -178.344 -83.9911 130.415 GPRESSURE: 1568400 -96.7264 170.361 -178.498 145.231 83.7362 -10.5595 -213.273 -93.7822 182.346 PRESSAVG: 1568400 28.4622 22.8429 16.3497 22.8429 -57.3641 43.4839 16.3497 43.484 23.7879 GPRESSAVG: 1568400 26.6531 23.6724 16.7308 24.7296 -56.8093 42.6153 17.9184 44.4327 24.9925 TIMING: 1568400 CPU: 4726.11, 0.00309384/step Wall: 4726.11, 0.00309385/step, 2.94912 hours remaining, 208.785156 MB of memory in use. ENERGY: 1568400 753.2829 2172.1741 1929.7389 109.2918 -206202.5344 17857.1221 0.0000 0.0000 34259.4698 -149121.4546 299.1965 -183380.9244 -149027.0473 299.1961 25.7943 56.4518 557837.6591 -1.7047 -1.7213 PRESSURE: 1568600 -26.6788 26.6443 -33.7246 26.6447 -66.477 87.0182 -33.7248 87.0186 149.32 GPRESSURE: 1568600 25.2984 50.1139 -64.7452 61.2673 -42.7019 92.4677 10.9997 75.4915 164.773 PRESSAVG: 1568600 36.3801 -51.2785 -9.53339 -51.2785 -81.0295 2.20424 -9.53343 2.20408 35.4287 GPRESSAVG: 1568600 36.4845 -52.2192 -11.8715 -51.3319 -80.9237 3.76184 -9.92669 0.540058 35.0156 TIMING: 1568600 CPU: 4726.72, 0.00303167/step Wall: 4726.72, 0.00303167/step, 2.88969 hours remaining, 208.988281 MB of memory in use. ENERGY: 1568600 731.3368 2119.9157 1931.0361 105.4807 -205805.4301 17732.7508 0.0000 0.0000 34038.0378 -149146.8720 297.2627 -183184.9099 -149046.8690 300.1136 18.7215 49.1231 558402.4837 -3.0736 -3.1412 PRESSURE: 1568800 270.838 -43.3798 274.372 -43.38 -22.752 -186.35 274.372 -186.349 181.321 GPRESSURE: 1568800 327.9 -32.6873 314.826 -87.5408 -13.1278 -101.781 178.317 -177.481 207.77 PRESSAVG: 1568800 53.861 -38.2271 45.6588 -38.2273 -59.5107 -103.907 45.6588 -103.907 -10.5535 GPRESSAVG: 1568800 55.3638 -39.6192 46.7577 -38.7377 -60.5109 -104.208 43.765 -103.203 -11.1489 TIMING: 1568800 CPU: 4727.33, 0.00303191/step Wall: 4727.33, 0.00303191/step, 2.88975 hours remaining, 208.988281 MB of memory in use. ENERGY: 1568800 745.3656 2109.1628 1940.1284 108.0668 -206685.7188 18117.4010 0.0000 0.0000 34595.6531 -149069.9410 302.1324 -183665.5942 -148968.0001 299.5066 143.1357 174.1808 556866.4657 -5.4011 -5.4320 PRESSURE: 1569000 -247.806 16.723 52.0633 16.7226 -48.7087 34.614 52.0639 34.6128 111.846 GPRESSURE: 1569000 -185.829 69.2103 136.281 32.3641 22.379 27.0897 3.48933 110.171 69.2264 PRESSAVG: 1569000 -15.1484 -23.9003 -15.6145 -23.9002 -16.6569 -22.9012 -15.6143 -22.9012 11.1896 GPRESSAVG: 1569000 -15.7045 -21.3383 -15.3048 -25.4775 -15.951 -22.7116 -13.2866 -22.8736 11.035 TIMING: 1569000 CPU: 4727.93, 0.00303785/step Wall: 4727.93, 0.00303785/step, 2.89524 hours remaining, 208.988281 MB of memory in use. ENERGY: 1569000 749.5576 2145.8621 1920.0458 124.3077 -206038.0756 17786.4989 0.0000 0.0000 34136.0933 -149175.7102 298.1190 -183311.8035 -149077.3207 300.2224 -61.5561 -31.4080 558233.4506 -6.8719 -6.8735 PRESSURE: 1569200 51.4427 35.1049 69.0404 35.1047 107.088 -24.7923 69.0406 -24.792 -244.265 GPRESSURE: 1569200 126.187 7.54899 156.832 -2.75656 139.49 -72.0551 110.752 -30.1568 -250.321 PRESSAVG: 1569200 -0.505559 14.6409 -18.5718 14.6408 -15.5193 -56.7151 -18.5719 -56.7151 65.268 GPRESSAVG: 1569200 -2.08213 13.347 -20.0003 15.9276 -15.4282 -56.3965 -17.8542 -58.5326 66.1656 TIMING: 1569200 CPU: 4728.54, 0.00303551/step Wall: 4728.54, 0.00303551/step, 2.89284 hours remaining, 208.988281 MB of memory in use. ENERGY: 1569200 763.3713 2130.3749 1916.0700 113.9366 -206157.1880 17806.6185 0.0000 0.0000 34227.7073 -149199.1094 298.9191 -183426.8167 -149103.1429 299.3142 -28.5782 5.1185 559032.3125 16.4144 16.2184 PRESSURE: 1569400 -424.309 -165.403 124.717 -165.403 59.8724 -54.5145 124.717 -54.5158 -233.545 GPRESSURE: 1569400 -338.322 -182.943 167.837 -207.75 86.5477 78.8979 141.856 -167.624 -257.544 PRESSAVG: 1569400 0.433954 60.1195 53.5834 60.1195 20.6009 -6.97795 53.5834 -6.97804 -20.1068 GPRESSAVG: 1569400 1.48865 60.0973 54.8278 60.4348 20.4713 -8.88012 52.9103 -6.27132 -21.7106 TIMING: 1569400 CPU: 4729.14, 0.00301368/step Wall: 4729.14, 0.00301368/step, 2.87187 hours remaining, 208.988281 MB of memory in use. ENERGY: 1569400 792.1325 2134.6211 1941.7956 106.0536 -206312.2684 17762.3734 0.0000 0.0000 34234.9454 -149340.3467 298.9823 -183575.2921 -149245.6167 299.4181 -199.3271 -169.7728 559390.4034 0.3094 0.0831 PRESSURE: 1569600 19.8669 100.406 192.889 100.406 95.0982 -177.027 192.889 -177.028 109.731 GPRESSURE: 1569600 33.2829 115.97 206.503 165.801 165.851 -299.875 174.608 -88.2778 113.484 PRESSAVG: 1569600 -67.8945 8.62552 20.1528 8.62556 98.9363 -31.5888 20.1527 -31.5889 -35.459 GPRESSAVG: 1569600 -67.9246 9.71664 19.2259 6.79589 98.2976 -33.4102 19.4224 -29.2148 -34.5871 TIMING: 1569600 CPU: 4729.74, 0.00300804/step Wall: 4729.74, 0.00300804/step, 2.86633 hours remaining, 208.988281 MB of memory in use. ENERGY: 1569600 768.6958 2105.1463 1934.4591 114.5607 -206263.1161 18057.2790 0.0000 0.0000 34009.8380 -149273.1372 297.0164 -183282.9752 -149182.0642 298.9304 74.8988 104.2061 558905.6094 -1.4724 -1.4047 PRESSURE: 1569800 -73.5458 181.732 27.1528 181.732 -80.7661 -138.758 27.1523 -138.758 -50.5816 GPRESSURE: 1569800 -28.0943 120.787 32.0052 234.836 -99.0397 -87.8243 24.8301 -143.294 19.8372 PRESSAVG: 1569800 12.9338 34.3184 -19.4794 34.3184 5.11947 -41.7033 -19.4794 -41.7032 -12.7599 GPRESSAVG: 1569800 12.9507 33.7469 -19.5081 36.6993 4.17641 -40.4512 -17.8608 -41.4193 -12.263 TIMING: 1569800 CPU: 4730.35, 0.00303554/step Wall: 4730.35, 0.00303554/step, 2.89236 hours remaining, 208.988281 MB of memory in use. ENERGY: 1569800 790.4748 2126.8457 1925.7058 108.5948 -206005.3283 17812.6487 0.0000 0.0000 34150.7280 -149090.3305 298.2468 -183241.0586 -148987.1183 299.4531 -68.2978 -35.7656 558259.3703 1.7645 1.6214 PRESSURE: 1570000 7.86829 -117.1 141.273 -117.1 26.9319 -71.1132 141.272 -71.1137 185.167 GPRESSURE: 1570000 50.7439 -142.746 175.644 -121.791 95.6036 -57.2134 97.7607 -92.297 187.874 PRESSAVG: 1570000 20.2148 12.7518 32.8541 12.7518 22.6375 0.225242 32.854 0.225159 -54.0335 GPRESSAVG: 1570000 20.3219 12.5413 35.7208 12.6482 23.2199 -0.625283 31.402 -1.22466 -54.7011 TIMING: 1570000 CPU: 4730.95, 0.00299774/step Wall: 4730.95, 0.00299774/step, 2.85618 hours remaining, 208.988281 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: 1570000 725.4224 2116.9650 1934.6199 125.0811 -206550.0187 18013.9914 0.0000 0.0000 34408.8944 -149225.0444 300.5014 -183633.9389 -149131.9658 299.9335 73.3224 111.4073 557411.3073 -3.7271 -3.7198 PRESSURE: 1570200 -177.656 -185.893 -54.5186 -185.895 -115.444 -165.704 -54.5184 -165.705 -110.468 GPRESSURE: 1570200 -150.268 -107.275 -36.4101 -151.869 -14.3315 -88.5025 32.8855 -171.038 -123.051 PRESSAVG: 1570200 -15.0191 23.7084 46.3581 23.7085 66.7405 -58.1238 46.358 -58.1238 -48.7034 GPRESSAVG: 1570200 -15.8322 24.3975 45.0073 24.3673 67.2253 -55.8349 48.1911 -59.9562 -48.4855 TIMING: 1570200 CPU: 4731.55, 0.0030162/step Wall: 4731.55, 0.0030162/step, 2.8736 hours remaining, 208.988281 MB of memory in use. ENERGY: 1570200 754.0581 2088.5413 1896.3622 112.2341 -206151.4100 17495.4189 0.0000 0.0000 34387.5943 -149417.2012 300.3154 -183804.7955 -149322.7867 298.8727 -134.5225 -95.8837 555665.3254 1.0060 0.9692 PRESSURE: 1570400 83.3346 -69.6797 1.85837 -69.6799 13.5381 -180.005 1.85834 -180.004 -151.624 GPRESSURE: 1570400 123.727 -68.8931 42.5974 -43.1403 -2.24242 -135.303 -77.7192 -98.1247 -90.8086 PRESSAVG: 1570400 -8.01594 -5.9196 -4.69402 -5.91964 21.0295 -2.60226 -4.69402 -2.60211 2.55811 GPRESSAVG: 1570400 -7.42625 -4.64007 -5.86937 -6.88741 21.1853 -2.59131 -6.01797 -0.0690696 1.5993 TIMING: 1570400 CPU: 4732.16, 0.00301881/step Wall: 4732.16, 0.00301881/step, 2.87592 hours remaining, 208.988281 MB of memory in use. ENERGY: 1570400 748.7732 2093.0204 1912.5461 116.9128 -205797.3686 17519.4662 0.0000 0.0000 34185.3783 -149221.2717 298.5494 -183406.6500 -149123.0103 299.4159 -18.2503 10.2253 556657.2929 5.1906 5.1195 PRESSURE: 1570600 89.422 -29.6545 28.2355 -29.6549 -69.8339 -61.075 28.2352 -61.076 86.8678 GPRESSURE: 1570600 70.3162 20.7239 28.8309 -1.27702 -2.5967 -66.5101 18.4112 -36.0572 149.75 PRESSAVG: 1570600 9.38254 -2.01083 1.10644 -2.01084 45.2061 18.7775 1.10631 18.7774 -46.1726 GPRESSAVG: 1570600 8.2583 -1.41121 1.39068 -0.281943 45.5187 18.6261 1.0067 19.469 -45.5094 TIMING: 1570600 CPU: 4732.76, 0.00302985/step Wall: 4732.76, 0.00302985/step, 2.88627 hours remaining, 208.988281 MB of memory in use. ENERGY: 1570600 742.9220 2036.7001 1910.2393 106.6968 -206167.5722 17912.8685 0.0000 0.0000 34191.1896 -149266.9559 298.6002 -183458.1455 -149173.0620 299.2979 35.4853 72.4899 558912.4552 2.8054 2.7559 PRESSURE: 1570800 -189.924 132.022 -210.049 132.024 -287.283 138.414 -210.05 138.414 -240.192 GPRESSURE: 1570800 -155.428 77.291 -295.388 136.346 -265.938 131.344 -178.06 89.5981 -195.338 PRESSAVG: 1570800 -2.14134 8.15553 -10.7222 8.15555 -14.3995 33.6266 -10.7223 33.6265 14.7693 GPRESSAVG: 1570800 -1.56587 5.40574 -10.4591 7.18694 -16.5596 34.42 -11.5455 30.4339 15.4411 TIMING: 1570800 CPU: 4733.38, 0.00306674/step Wall: 4733.38, 0.00306674/step, 2.92124 hours remaining, 208.988281 MB of memory in use. ENERGY: 1570800 780.7429 2098.4740 1926.6439 116.1034 -205843.4985 17531.5214 0.0000 0.0000 34272.6430 -149117.3698 299.3115 -183390.0129 -149022.9200 299.6862 -239.1328 -205.5681 558043.8233 -0.5905 -0.8948 PRESSURE: 1571000 -39.7366 -45.9774 40.5406 -45.9782 167.206 -171.51 40.5405 -171.512 180.614 GPRESSURE: 1571000 -11.9899 -131.784 9.65249 -66.4589 168.458 -164.541 46.1993 -153.782 258.849 PRESSAVG: 1571000 -60.7861 8.14741 25.6563 8.14742 -34.9791 -1.1504 25.6562 -1.15055 85.1198 GPRESSAVG: 1571000 -61.2262 8.55127 24.9483 9.13955 -34.3084 -1.91719 26.7451 1.47083 84.399 TIMING: 1571000 CPU: 4733.99, 0.00305297/step Wall: 4733.99, 0.00305297/step, 2.90795 hours remaining, 208.988281 MB of memory in use. ENERGY: 1571000 721.0033 2099.0399 1929.5074 113.2850 -206042.8644 17795.1754 0.0000 0.0000 34339.7361 -149045.1174 299.8975 -183384.8534 -148947.4565 299.1321 102.6943 138.4389 557439.4404 -3.5485 -3.7119 PRESSURE: 1571200 -93.7296 -2.26061 36.8908 -2.2607 -122.738 -69.779 36.8915 -69.7789 -82.431 GPRESSURE: 1571200 -31.8451 -1.91814 -67.745 -39.4355 -84.5341 -88.4342 165.613 -175.244 -83.3833 PRESSAVG: 1571200 -26.4618 36.1928 11.3039 36.1928 44.1796 7.34906 11.3039 7.34917 5.78576 GPRESSAVG: 1571200 -25.821 35.2905 10.5151 34.8238 44.6506 5.95154 10.632 7.81762 4.58297 TIMING: 1571200 CPU: 4734.6, 0.00307213/step Wall: 4734.6, 0.00307213/step, 2.92604 hours remaining, 208.988281 MB of memory in use. ENERGY: 1571200 763.9705 2115.7790 1929.6037 116.4571 -205775.1917 17587.8865 0.0000 0.0000 34387.5229 -148873.9720 300.3148 -183261.4949 -148775.0215 300.0039 -99.6328 -66.5875 557962.3373 7.8345 7.8042 PRESSURE: 1571400 -220.048 -16.6338 105.618 -16.6341 -303.671 112.457 105.618 112.457 -147.463 GPRESSURE: 1571400 -169.718 88.8695 22.9896 -38.8034 -285.145 97.6319 119.099 178.815 -138.995 PRESSAVG: 1571400 -5.15404 -13.5519 36.4808 -13.5519 65.6291 21.9371 36.4808 21.9372 -17.0277 GPRESSAVG: 1571400 -4.71558 -11.7781 36.5396 -14.0304 65.3624 23.4136 35.3352 20.4077 -17.1904 TIMING: 1571400 CPU: 4735.21, 0.00303402/step Wall: 4735.21, 0.00303402/step, 2.88956 hours remaining, 208.988281 MB of memory in use. ENERGY: 1571400 730.4383 2081.3867 1922.7404 112.3543 -205576.4146 17386.8549 0.0000 0.0000 34363.7484 -148978.8916 300.1072 -183342.6400 -148876.4574 300.7356 -223.7272 -197.9527 559010.9414 14.4825 14.4855 PRESSURE: 1571600 53.277 -52.7637 51.7608 -52.7632 87.0606 17.689 51.7612 17.6878 -66.0195 GPRESSURE: 1571600 54.1199 -53.8634 71.6804 -44.1395 142.227 -29.4857 36.5871 33.7188 -36.3062 PRESSAVG: 1571600 -17.6522 -8.24914 49.2238 -8.24905 14.0826 30.3186 49.2237 30.3186 14.7958 GPRESSAVG: 1571600 -18.4718 -7.39834 51.5028 -6.99964 15.2268 30.548 49.9297 30.5528 14.6464 TIMING: 1571600 CPU: 4735.81, 0.00301007/step Wall: 4735.81, 0.00301007/step, 2.86659 hours remaining, 208.988281 MB of memory in use. ENERGY: 1571600 727.6643 2065.8254 1915.2043 106.5034 -205950.9741 17806.9278 0.0000 0.0000 34327.5413 -149001.3075 299.7910 -183328.8488 -148898.5099 299.3174 24.7727 53.3468 558231.3711 3.7421 3.8005 PRESSURE: 1571800 -19.6922 -67.5439 52.8004 -67.5441 78.573 69.8315 52.8 69.8313 -116.645 GPRESSURE: 1571800 -49.3148 -87.386 49.025 -27.2192 119.625 83.5769 27.0025 41.8441 -44.6457 PRESSAVG: 1571800 6.71902 -4.03081 -28.114 -4.03082 16.4656 -26.6773 -28.114 -26.6773 -7.54766 GPRESSAVG: 1571800 7.58742 -5.51264 -28.4332 -3.72903 14.5292 -26.1474 -29.2297 -26.6638 -6.49262 TIMING: 1571800 CPU: 4736.41, 0.00301289/step Wall: 4736.41, 0.00301289/step, 2.86911 hours remaining, 208.988281 MB of memory in use. ENERGY: 1571800 740.9155 2096.3611 1920.1811 99.7913 -206177.5095 17850.8564 0.0000 0.0000 34416.9740 -149052.4302 300.5720 -183469.4041 -148962.8983 300.2731 -19.2548 8.5549 558642.8235 5.2123 5.2080 PRESSURE: 1572000 -123.232 105.204 -189.681 105.204 -123.933 -63.6866 -189.682 -63.6875 -69.5097 GPRESSURE: 1572000 -43.3699 147.223 -162.866 89.8447 -108.261 -79.9852 -220.441 -9.4162 -64.7916 PRESSAVG: 1572000 -14.493 11.6085 13.9252 11.6084 17.4017 47.1846 13.9252 47.1848 -15.9038 GPRESSAVG: 1572000 -14.8811 10.1721 12.751 11.7726 17.2363 44.248 15.272 47.4324 -15.3057 TIMING: 1572000 CPU: 4737.01, 0.00300723/step Wall: 4737.01, 0.00300723/step, 2.86355 hours remaining, 208.988281 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: 1572000 789.5426 2112.2531 1927.7069 115.5608 -206444.1306 17878.8431 0.0000 0.0000 34398.5785 -149221.6457 300.4113 -183620.2241 -149125.3309 299.8441 -105.5585 -72.1409 559190.2189 -4.3317 -4.3168 PRESSURE: 1572200 -70.9844 -17.4625 -41.5314 -17.4625 -221.721 90.7878 -41.5319 90.7863 -258.957 GPRESSURE: 1572200 -41.1696 -16.8343 -5.01309 17.981 -191.932 26.5391 -131.816 41.8207 -221.475 PRESSAVG: 1572200 -17.8094 -17.0013 6.69485 -17.0012 75.1517 49.8836 6.69479 49.8835 -59.8292 GPRESSAVG: 1572200 -16.6025 -14.7192 8.21083 -17.706 75.2174 53.8626 7.7795 48.5623 -60.919 TIMING: 1572200 CPU: 4737.62, 0.00301154/step Wall: 4737.62, 0.00301154/step, 2.86749 hours remaining, 208.988281 MB of memory in use. ENERGY: 1572200 760.1564 2089.5652 1923.5488 132.3619 -206054.2667 17525.3092 0.0000 0.0000 34333.8937 -149289.4316 299.8464 -183623.3253 -149202.0107 299.4308 -183.8872 -151.5254 557480.2224 -0.8290 -0.7680 LDB: ============= START OF LOAD BALANCING ============== 4741.14 LDB: ============== END OF LOAD BALANCING =============== 4741.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4741.14 LDB: ============= START OF LOAD BALANCING ============== 4741.44 LDB: Largest compute 4800 load 0.031369 is 26.6% of average load 0.117915 LDB: Average compute 0.001742 is 1.5% of average load 0.117915 LDB: TIME 4741.45 LOAD: AVG 0.117915 MAX 0.216225 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.223 MB LDB: TIME 4741.45 LOAD: AVG 0.117915 MAX 0.216225 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.328 MB LDB: TIME 4741.45 LOAD: AVG 0.117915 MAX 0.216225 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.328 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4741.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4741.45 PRESSURE: 1572400 -15.4765 -83.3734 73.0104 -83.3737 -39.7823 -126.942 73.0103 -126.942 290.173 GPRESSURE: 1572400 55.7872 -31.5947 85.9158 -87.8551 -53.4975 -145.914 73.7411 -88.0714 323.366 PRESSAVG: 1572400 28.3189 9.16899 4.83372 9.16892 1.91476 -12.7668 4.83374 -12.7667 -15.6568 GPRESSAVG: 1572400 28.3421 10.0995 4.95848 7.82821 1.66152 -14.6049 4.20208 -11.4355 -15.7294 TIMING: 1572400 CPU: 4738.24, 0.00309293/step Wall: 4738.24, 0.00309293/step, 2.94481 hours remaining, 206.996094 MB of memory in use. ENERGY: 1572400 773.3309 2071.3920 1909.8398 112.6817 -206488.4903 17994.5621 0.0000 0.0000 34228.6819 -149398.0019 298.9276 -183626.6839 -149292.6219 299.2691 78.3048 108.5520 557839.8483 4.8590 4.7581 PRESSURE: 1572600 -183.688 81.8126 -60.999 81.8108 -1.77151 240.838 -60.9975 240.838 93.1282 GPRESSURE: 1572600 -216.802 62.684 -72.4959 106.145 76.8722 250.088 -43.9277 162.556 151.359 PRESSAVG: 1572600 -1.3518 42.4251 2.30881 42.425 -27.2481 19.2266 2.30883 19.2265 43.4288 GPRESSAVG: 1572600 -2.20545 40.2556 -0.369667 45.1008 -26.299 17.8604 3.8536 20.2191 43.2233 TIMING: 1572600 CPU: 4738.84, 0.00302689/step Wall: 4738.84, 0.0030269/step, 2.88177 hours remaining, 206.996094 MB of memory in use. ENERGY: 1572600 726.6116 2117.9714 1913.9742 102.7361 -206128.7567 17767.0967 0.0000 0.0000 34248.1682 -149252.1986 299.0978 -183500.3668 -149156.3998 299.4127 -30.7771 3.8097 558138.6899 4.9430 4.9063 PRESSURE: 1572800 -239.927 63.2778 -34.0988 63.2787 144.538 34.7243 -34.0996 34.7244 118.481 GPRESSURE: 1572800 -250.411 100.645 -108.444 28.1079 159.517 -4.03384 -17.8567 9.47028 205.641 PRESSAVG: 1572800 -59.3055 19.2885 -3.07286 19.2885 -0.975372 3.28216 -3.07292 3.28219 38.0184 GPRESSAVG: 1572800 -59.8006 17.9308 -2.51249 19.9414 -1.75206 2.52009 -4.96547 5.76192 39.3899 TIMING: 1572800 CPU: 4739.45, 0.00302306/step Wall: 4739.45, 0.00302306/step, 2.87796 hours remaining, 206.996094 MB of memory in use. ENERGY: 1572800 727.4752 2128.1123 1914.0564 115.3383 -205995.5111 17770.5687 0.0000 0.0000 33947.5908 -149392.3693 296.4728 -183339.9601 -149297.6997 298.1881 7.6974 38.2490 558407.1533 -7.4208 -7.3876 PRESSURE: 1573000 271.133 -125.376 118.138 -125.376 7.9959 12.9863 118.139 12.9852 -14.7531 GPRESSURE: 1573000 339.394 -76.0196 185.208 -131.774 -13.5431 26.216 120.736 23.0054 24.0159 PRESSAVG: 1573000 -25.3876 3.4665 -8.35737 3.4664 39.7958 24.5037 -8.35728 24.5037 -49.8413 GPRESSAVG: 1573000 -24.7977 4.96355 -8.40934 2.60895 40.0538 27.0441 -6.56863 21.3673 -50.2281 TIMING: 1573000 CPU: 4740.05, 0.00304031/step Wall: 4740.05, 0.00304031/step, 2.8942 hours remaining, 206.996094 MB of memory in use. ENERGY: 1573000 726.5335 2128.2749 1929.7572 109.9613 -206445.6326 17916.5403 0.0000 0.0000 34349.2467 -149285.3186 299.9805 -183634.5654 -149191.5248 298.2101 88.1253 116.6221 557150.6637 -11.8110 -11.6573 PRESSURE: 1573200 146.687 14.511 -85.737 14.5105 108.611 182.696 -85.7371 182.697 76.5873 GPRESSURE: 1573200 189.201 81.9262 -82.3466 8.59589 99.6176 238.797 -17.7328 156.99 132.255 PRESSAVG: 1573200 21.9804 12.6504 29.6504 12.6504 -67.4081 5.79206 29.6503 5.79206 33.3474 GPRESSAVG: 1573200 22.0941 12.9409 28.2356 12.486 -67.3532 3.7982 29.1835 7.3116 32.9148 TIMING: 1573200 CPU: 4740.66, 0.00304395/step Wall: 4740.66, 0.00304395/step, 2.89751 hours remaining, 206.996094 MB of memory in use. ENERGY: 1573200 750.1974 2047.9431 1913.5208 120.3684 -206440.6675 17986.6152 0.0000 0.0000 34195.9848 -149426.0378 298.6420 -183622.0226 -149330.9555 298.9637 110.6283 140.3577 558244.2370 -4.0268 -4.1148 PRESSURE: 1573400 3.94576 -7.71536 187.16 -7.71528 66.0985 184.786 187.16 184.788 16.5593 GPRESSURE: 1573400 -24.0458 -76.2004 52.4489 18.5591 106.28 119.554 126.103 203.338 96.2644 PRESSAVG: 1573400 -0.245879 -1.79144 -6.40835 -1.79144 9.26059 45.5572 -6.40834 45.5573 -1.06966 GPRESSAVG: 1573400 -1.34987 -2.75851 -5.05979 -1.88622 10.4991 49.1058 -6.70709 42.49 -0.764855 TIMING: 1573400 CPU: 4741.27, 0.00303437/step Wall: 4741.27, 0.00303437/step, 2.88821 hours remaining, 206.996094 MB of memory in use. ENERGY: 1573400 753.1118 2094.9420 1911.5095 106.2282 -206760.7804 18007.9533 0.0000 0.0000 34406.6368 -149480.3988 300.4817 -183887.0356 -149387.4334 298.8523 28.8679 59.4995 557712.6707 2.6484 2.7948 PRESSURE: 1573600 26.3923 117.021 -190.024 117.023 -110.166 12.2459 -190.023 12.2477 -121.706 GPRESSURE: 1573600 71.9863 164.096 -148.434 152.215 -95.4077 9.5032 -145.106 47.9985 -80.2911 PRESSAVG: 1573600 52.0167 6.96466 -17.6451 6.96468 21.6978 21.1744 -17.645 21.1743 -57.0152 GPRESSAVG: 1573600 53.4451 7.7039 -18.6808 7.22615 21.0185 18.3829 -18.0915 23.2579 -57.9735 TIMING: 1573600 CPU: 4741.88, 0.00304081/step Wall: 4741.88, 0.00304081/step, 2.89418 hours remaining, 206.996094 MB of memory in use. ENERGY: 1573600 767.7214 2080.8022 1909.0903 102.1287 -206306.1274 17824.7172 0.0000 0.0000 34396.7714 -149224.8961 300.3956 -183621.6676 -149125.3419 299.6805 -68.4931 -34.5709 556924.4169 5.5664 5.4967 PRESSURE: 1573800 -75.1929 -119.316 158.943 -119.316 36.6332 -13.7127 158.943 -13.7132 -21.594 GPRESSURE: 1573800 -49.9894 -147.061 172.156 -99.5951 52.0765 -104.858 130.178 94.0254 45.4687 PRESSAVG: 1573800 -70.6692 -18.0417 -34.4008 -18.0416 86.2308 18.5522 -34.4008 18.5522 -3.01138 GPRESSAVG: 1573800 -72.151 -19.3247 -32.7953 -17.9116 85.1221 20.2806 -34.8221 17.392 -0.353449 TIMING: 1573800 CPU: 4742.49, 0.00305755/step Wall: 4742.49, 0.00305755/step, 2.90994 hours remaining, 206.996094 MB of memory in use. ENERGY: 1573800 738.2539 2138.0300 1905.8497 128.0639 -206113.3466 17766.2990 0.0000 0.0000 34321.6844 -149115.1656 299.7398 -183436.8500 -149018.7319 298.8971 -20.0512 15.8520 558548.8477 4.1834 4.2059 PRESSURE: 1574000 274.799 56.6201 4.42254 56.6199 -33.3505 -50.3301 4.42305 -50.3302 83.7585 GPRESSURE: 1574000 319.038 124.403 -16.7714 22.0724 42.8341 -115.113 42.7913 -42.4518 58.9801 PRESSAVG: 1574000 27.9108 -35.19 -12.9642 -35.1899 -2.70253 -75.8093 -12.9642 -75.8093 10.3337 GPRESSAVG: 1574000 30.2291 -35.8963 -13.2589 -35.4154 -2.60466 -76.1051 -13.4205 -76.7058 8.04491 TIMING: 1574000 CPU: 4743.1, 0.00305464/step Wall: 4743.1, 0.00305464/step, 2.907 hours remaining, 206.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1574000 761.5195 2149.0423 1931.4673 123.9553 -206217.4071 17952.9181 0.0000 0.0000 34172.8341 -149125.6706 298.4399 -183298.5047 -149023.5506 299.3461 108.4024 140.2840 557342.4422 11.8473 11.8898 PRESSURE: 1574200 -0.254928 -108.916 19.16 -108.917 -122.913 11.5006 19.16 11.5016 211.955 GPRESSURE: 1574200 17.9301 -105.532 -31.0565 -63.3202 -46.1047 1.12248 -38.582 44.426 200.237 PRESSAVG: 1574200 -7.87687 -51.5812 0.229464 -51.5811 -30.5487 -43.7123 0.229493 -43.7123 13.8205 GPRESSAVG: 1574200 -9.40596 -49.8475 0.453062 -50.8809 -30.2946 -44.5587 0.486887 -42.6565 14.922 TIMING: 1574200 CPU: 4743.71, 0.0030319/step Wall: 4743.71, 0.0030319/step, 2.88519 hours remaining, 206.996094 MB of memory in use. ENERGY: 1574200 755.4814 2076.9577 1931.8649 109.0258 -206314.3883 17924.8743 0.0000 0.0000 34380.1981 -149135.9862 300.2508 -183516.1843 -149042.0503 299.4724 29.5956 57.3541 557468.0736 -8.2017 -8.2595 PRESSURE: 1574400 -60.6064 -131.541 -170.161 -131.541 -7.08291 57.5697 -170.161 57.5708 3.27303 GPRESSURE: 1574400 -19.3949 -239.406 -192.64 -26.6044 10.9264 51.5609 -157.306 144.282 45.5535 PRESSAVG: 1574400 33.5715 -28.5295 -24.6338 -28.5295 -8.12414 -30.0524 -24.6338 -30.0524 35.8908 GPRESSAVG: 1574400 32.4872 -28.5258 -25.3743 -30.2232 -8.87157 -29.0422 -23.8457 -30.6043 36.6293 TIMING: 1574400 CPU: 4744.31, 0.00304075/step Wall: 4744.31, 0.00304075/step, 2.89344 hours remaining, 206.996094 MB of memory in use. ENERGY: 1574400 736.3649 2101.9546 1932.5849 105.9799 -206018.1142 17833.0339 0.0000 0.0000 34270.3382 -149037.8578 299.2914 -183308.1960 -148939.4686 299.2242 -21.4721 12.3617 557684.5256 20.4460 20.0816 PRESSURE: 1574600 -235.791 -159.795 35.9606 -159.794 -220.909 126.989 35.9618 126.992 -44.4461 GPRESSURE: 1574600 -206.704 -208.868 49.6595 -122.487 -145.803 207.391 2.3648 43.1319 -40.1595 PRESSAVG: 1574600 10.1104 -13.182 -4.65471 -13.182 16.8391 46.2409 -4.65458 46.2409 4.86811 GPRESSAVG: 1574600 9.46102 -14.651 -3.62959 -12.6582 17.5032 47.2617 -4.76238 45.7805 3.87579 TIMING: 1574600 CPU: 4744.92, 0.00304918/step Wall: 4744.92, 0.00304918/step, 2.9013 hours remaining, 206.996094 MB of memory in use. ENERGY: 1574600 747.6285 2057.5549 1934.6003 113.3664 -205770.5054 17483.7868 0.0000 0.0000 34348.1369 -149085.4316 299.9708 -183433.5685 -148987.3395 299.5132 -167.0486 -130.8891 557721.0780 10.6059 10.2800 PRESSURE: 1574800 -178.206 -91.7268 -162.449 -91.7255 -73.6607 -69.2274 -162.449 -69.2268 -202.174 GPRESSURE: 1574800 -114.632 -115.898 -202.738 -120.519 -65.2522 45.8649 -101.52 -113.558 -172.088 PRESSAVG: 1574800 19.5616 -4.62656 11.7313 -4.62657 12.0904 9.57171 11.7313 9.57181 -56.9061 GPRESSAVG: 1574800 20.4334 -2.60887 10.9087 -4.25087 11.9938 8.02276 12.6664 9.83011 -57.4235 TIMING: 1574800 CPU: 4745.54, 0.00306876/step Wall: 4745.54, 0.00306876/step, 2.91975 hours remaining, 207.121094 MB of memory in use. ENERGY: 1574800 775.1125 2095.4302 1914.9921 118.1452 -205706.5376 17549.7135 0.0000 0.0000 34188.9327 -149064.2114 298.5805 -183253.1441 -148968.0400 299.5116 -151.3468 -117.3240 558084.9671 -8.4180 -8.3321 PRESSURE: 1575000 190.695 -159.772 61.8383 -159.774 10.8075 69.0713 61.8374 69.0714 64.5412 GPRESSURE: 1575000 179.3 -152.898 -19.1291 -97.7043 106.611 44.2999 77.0307 77.0198 83.4826 PRESSAVG: 1575000 41.7173 29.1548 -7.73169 29.1548 -2.78831 17.8596 -7.73167 17.8595 -21.9793 GPRESSAVG: 1575000 42.0602 29.1478 -7.14304 28.8448 -3.23238 20.5286 -7.91175 18.6235 -22.0719 TIMING: 1575000 CPU: 4746.15, 0.00304957/step Wall: 4746.15, 0.00304957/step, 2.90133 hours remaining, 207.121094 MB of memory in use. ENERGY: 1575000 740.9079 2128.6713 1928.4197 109.5406 -206004.9630 18027.5886 0.0000 0.0000 34070.0554 -148999.7795 297.5423 -183069.8349 -148902.9842 299.2725 88.6812 123.1312 558886.2627 5.6499 5.5853 PRESSURE: 1575200 -110.33 25.5996 -57.6318 25.5993 21.6687 -43.3297 -57.6314 -43.3286 -185.462 GPRESSURE: 1575200 -81.3531 -9.39467 9.59326 -14.6455 73.3013 -113.105 -66.6646 -49.4242 -168.352 PRESSAVG: 1575200 -4.63601 -25.5067 68.4255 -25.5066 29.6306 37.2029 68.4255 37.2029 -20.7608 GPRESSAVG: 1575200 -5.38362 -25.3915 68.1513 -28.3153 29.548 34.4116 69.2435 37.1034 -20.048 TIMING: 1575200 CPU: 4746.76, 0.00305468/step Wall: 4746.76, 0.00305468/step, 2.90602 hours remaining, 207.121094 MB of memory in use. ENERGY: 1575200 738.9156 2105.5068 1923.0185 110.4718 -205856.0323 17765.7731 0.0000 0.0000 34226.2148 -148986.1317 298.9060 -183212.3465 -148886.0402 300.1394 -91.3745 -58.8013 558677.5259 1.4113 1.3721 PRESSURE: 1575400 -86.7248 132.4 -152.104 132.4 177.484 121.158 -152.103 121.159 -106.47 GPRESSURE: 1575400 -51.06 134.017 -127.865 198.893 162.594 50.7126 -120.878 182.915 -42.1026 PRESSAVG: 1575400 19.8368 -19.0614 -4.90074 -19.0615 29.3634 -4.50125 -4.90067 -4.50121 -11.794 GPRESSAVG: 1575400 20.9194 -20.5527 -4.18751 -15.3857 28.8846 -2.87728 -4.96247 -4.86289 -12.0819 TIMING: 1575400 CPU: 4747.36, 0.00302493/step Wall: 4747.36, 0.00302493/step, 2.87755 hours remaining, 207.121094 MB of memory in use. ENERGY: 1575400 734.6196 2090.8658 1969.6487 112.5677 -205949.1505 17733.7415 0.0000 0.0000 34331.3182 -148976.3890 299.8239 -183307.7072 -148880.0173 299.4713 -5.2368 23.1437 557296.4886 12.4687 12.5740 PRESSURE: 1575600 -70.7954 208.391 -116.767 208.39 -160.494 29.827 -116.766 29.8279 194.613 GPRESSURE: 1575600 48.129 232.182 -62.9668 149.489 -147.22 -33.4536 -127.678 110.326 151.585 PRESSAVG: 1575600 -21.0046 -26.0258 -52.857 -26.0259 -6.29061 -5.33681 -52.8571 -5.33673 23.8134 GPRESSAVG: 1575600 -21.2961 -24.7399 -52.1694 -26.2227 -5.97977 -8.39788 -53.6523 -4.65513 23.4171 TIMING: 1575600 CPU: 4747.97, 0.0030155/step Wall: 4747.97, 0.0030155/step, 2.86841 hours remaining, 207.121094 MB of memory in use. ENERGY: 1575600 724.9900 2152.4528 1939.0732 107.6457 -205697.3238 17578.1500 0.0000 0.0000 34211.3900 -148983.6220 298.7766 -183195.0120 -148890.3840 300.4580 -12.2254 17.4979 557514.1256 -1.1606 -1.2863 PRESSURE: 1575800 -93.072 54.6734 -3.07998 54.6736 -300.248 163.816 -3.08082 163.814 -86.2007 GPRESSURE: 1575800 -117.113 9.84692 -52.6921 11.3132 -245.558 167.733 41.6617 199.599 -31.5478 PRESSAVG: 1575800 -20.3818 -28.8957 -11.9365 -28.8956 68.6062 16.151 -11.9364 16.151 -43.4368 GPRESSAVG: 1575800 -21.1218 -29.6054 -12.6534 -29.6308 69.0227 17.9051 -13.9885 15.8676 -43.4873 TIMING: 1575800 CPU: 4748.57, 0.00303848/step Wall: 4748.57, 0.00303848/step, 2.8901 hours remaining, 207.121094 MB of memory in use. ENERGY: 1575800 752.9570 2100.0879 1924.1400 113.8917 -205845.0494 17573.5033 0.0000 0.0000 34399.7462 -148980.7233 300.4215 -183380.4694 -148889.3148 301.4286 -159.8404 -131.4063 556787.2087 1.5958 1.4712 PRESSURE: 1576000 -335.419 -53.7232 -260.666 -53.7222 -165.46 -198.412 -260.666 -198.412 -264.449 GPRESSURE: 1576000 -296.409 -34.9077 -222.292 -66.4522 -203.819 -161.252 -321.017 -255.973 -167.131 PRESSAVG: 1576000 -11.9893 -40.9559 -10.8828 -40.9559 33.8178 -27.8873 -10.8827 -27.8873 -21.4067 GPRESSAVG: 1576000 -12.0555 -39.7198 -11.3736 -41.3249 34.5186 -30.6645 -9.33206 -26.8996 -22.4384 TIMING: 1576000 CPU: 4749.19, 0.00305684/step Wall: 4749.19, 0.00305684/step, 2.90739 hours remaining, 207.324219 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: 1576000 753.2451 2136.2072 1951.7981 115.5305 -205812.2695 17609.5350 0.0000 0.0000 34334.0469 -148911.9065 299.8478 -183245.9535 -148819.5663 300.4206 -255.1094 -222.4530 557722.0369 0.1406 0.0083 PRESSURE: 1576200 -193.691 103.62 33.478 103.618 107.349 96.277 33.478 96.2781 -152.624 GPRESSURE: 1576200 -150.589 46.6055 -74.3818 40.5954 114.556 80.2954 56.2907 87.1893 -99.9679 PRESSAVG: 1576200 -68.1796 -14.213 -1.79971 -14.213 33.3022 25.5252 -1.79965 25.5253 37.89 GPRESSAVG: 1576200 -67.3244 -14.38 -1.75199 -15.5608 32.4328 28.975 -1.87483 23.5156 38.3574 TIMING: 1576200 CPU: 4749.8, 0.00308192/step Wall: 4749.8, 0.00308192/step, 2.93108 hours remaining, 207.324219 MB of memory in use. ENERGY: 1576200 757.2855 2066.2988 1945.5926 130.0858 -205917.3091 17627.3127 0.0000 0.0000 34364.0280 -149026.7056 300.1096 -183390.7337 -148923.7886 300.5451 -79.6551 -45.3334 558727.8130 1.0042 1.1553 LDB: ============= START OF LOAD BALANCING ============== 4753.32 LDB: ============== END OF LOAD BALANCING =============== 4753.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4753.33 LDB: ============= START OF LOAD BALANCING ============== 4753.63 LDB: Largest compute 4800 load 0.031253 is 26.5% of average load 0.117834 LDB: Average compute 0.001742 is 1.5% of average load 0.117834 LDB: TIME 4753.64 LOAD: AVG 0.117834 MAX 0.221905 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.309 MB LDB: TIME 4753.64 LOAD: AVG 0.117834 MAX 0.221905 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.379 MB LDB: TIME 4753.64 LOAD: AVG 0.117834 MAX 0.221905 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.379 MB LDB: ============== END OF LOAD BALANCING =============== 4753.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4753.64 PRESSURE: 1576400 -109.883 -166.729 -116.836 -166.729 223.176 -74.1094 -116.836 -74.1082 206.453 GPRESSURE: 1576400 -22.2034 -112.783 -192.311 -161.674 291.771 17.7516 -9.45882 -158.919 149.745 PRESSAVG: 1576400 -52.6003 -11.1282 -11.5632 -11.1281 30.0769 -16.351 -11.5632 -16.351 29.4977 GPRESSAVG: 1576400 -52.7436 -11.6024 -10.8347 -9.35269 30.0115 -17.0509 -11.9835 -17.0422 29.7241 TIMING: 1576400 CPU: 4750.43, 0.00311939/step Wall: 4750.43, 0.00311939/step, 2.96654 hours remaining, 207.042969 MB of memory in use. ENERGY: 1576400 741.9701 2117.5262 1942.0663 104.1904 -206307.6945 17879.3012 0.0000 0.0000 34551.2405 -148971.3998 301.7446 -183522.6403 -148871.4952 300.6484 106.5819 139.7709 557054.7598 2.3247 2.3307 PRESSURE: 1576600 64.1661 -84.8461 -49.277 -84.8455 127.113 -137.137 -49.2772 -137.137 445.516 GPRESSURE: 1576600 139.419 -163.087 -15.3567 -8.37474 104.24 -156.493 52.2711 -76.8389 501.132 PRESSAVG: 1576600 25.8228 -17.7856 18.6075 -17.7856 -40.5074 16.0401 18.6076 16.0399 -3.61989 GPRESSAVG: 1576600 26.1791 -16.589 19.6765 -16.8546 -41.2429 16.1914 19.0025 16.7749 -2.97494 TIMING: 1576600 CPU: 4751.03, 0.00304157/step Wall: 4751.03, 0.00304157/step, 2.89237 hours remaining, 207.042969 MB of memory in use. ENERGY: 1576600 772.3619 2089.3563 1931.7841 109.0184 -206679.3992 18313.8679 0.0000 0.0000 34327.5228 -149135.4876 299.7908 -183463.0104 -149047.9810 299.4356 212.2651 248.2639 556682.6442 -6.1015 -6.0129 PRESSURE: 1576800 42.9606 85.1252 26.8888 85.1258 -149.383 -35.5788 26.8905 -35.5796 -73.8931 GPRESSURE: 1576800 60.9119 141.307 21.6418 58.0968 -102.029 -44.2895 34.0006 -80.0325 -44.0511 PRESSAVG: 1576800 5.7745 39.3394 39.4733 39.3393 42.7843 8.42035 39.4732 8.42034 -7.02905 GPRESSAVG: 1576800 4.37302 37.774 36.5368 39.3213 44.3182 8.39283 39.5801 8.48958 -7.26727 TIMING: 1576800 CPU: 4751.64, 0.00304038/step Wall: 4751.64, 0.00304038/step, 2.89107 hours remaining, 207.042969 MB of memory in use. ENERGY: 1576800 731.9137 2122.7640 1941.2754 112.3841 -206100.6135 17667.2459 0.0000 0.0000 34217.8485 -149307.1818 298.8330 -183525.0303 -149216.6801 299.8625 -60.1051 -28.3893 556907.5094 13.8433 13.8080 PRESSURE: 1577000 -33.5283 -20.4382 -40.2218 -20.4375 -78.1332 113.715 -40.2218 113.715 142.24 GPRESSURE: 1577000 -66.8159 27.0524 -27.756 -25.0286 -50.4612 11.7671 -10.2747 106.776 252.127 PRESSAVG: 1577000 0.354957 20.9544 10.3375 20.9544 31.0691 7.43729 10.3376 7.43728 -23.7631 GPRESSAVG: 1577000 0.766015 22.4701 11.201 19.8771 30.5313 5.7329 11.0441 6.73275 -23.4718 TIMING: 1577000 CPU: 4752.26, 0.00308049/step Wall: 4752.26, 0.00308049/step, 2.92903 hours remaining, 207.042969 MB of memory in use. ENERGY: 1577000 732.0326 2096.6260 1912.6046 115.0587 -206286.5556 17784.2441 0.0000 0.0000 34275.7773 -149370.2122 299.3389 -183645.9895 -149273.9947 298.9995 10.1930 44.9499 557194.2365 2.5537 2.6085 PRESSURE: 1577200 349.419 -59.3968 34.8338 -59.3979 -97.0645 -16.013 34.8337 -16.0127 1.98167 GPRESSURE: 1577200 351.403 -69.4722 61.9893 -32.9452 -64.0498 0.085234 -0.644001 -10.0216 67.6107 PRESSAVG: 1577200 10.963 -27.3184 -55.8982 -27.3184 24.8885 4.99529 -55.8982 4.99525 -5.50657 GPRESSAVG: 1577200 11.2352 -28.3407 -55.6516 -26.7548 24.6543 6.64851 -56.4591 5.71768 -5.88718 TIMING: 1577200 CPU: 4752.86, 0.0030201/step Wall: 4752.86, 0.0030201/step, 2.87145 hours remaining, 207.042969 MB of memory in use. ENERGY: 1577200 784.5101 2096.8157 1947.2929 123.9915 -206460.3665 18029.6514 0.0000 0.0000 34093.5232 -149384.5817 297.7472 -183478.1049 -149295.3188 298.2726 84.7787 118.3213 557850.9643 10.1150 10.0008 PRESSURE: 1577400 97.0896 30.663 -162.268 30.6637 29.1156 17.4683 -162.267 17.4688 42.0771 GPRESSURE: 1577400 140.603 13.2656 -200.827 56.6596 36.8321 -76.7371 -87.5126 80.4508 97.5367 PRESSAVG: 1577400 5.50569 19.1589 38.6756 19.1587 -0.913778 1.48911 38.6756 1.489 -10.7945 GPRESSAVG: 1577400 5.2373 18.9585 37.9839 19.3165 0.347829 0.744638 39.8091 1.39369 -10.7488 TIMING: 1577400 CPU: 4753.47, 0.00301925/step Wall: 4753.47, 0.00301925/step, 2.87047 hours remaining, 207.042969 MB of memory in use. ENERGY: 1577400 748.6817 2115.6730 1900.1392 120.2249 -206562.4220 17960.6989 0.0000 0.0000 34353.5721 -149363.4321 300.0183 -183717.0042 -149267.7201 298.8937 56.0941 91.6574 557034.4294 -2.0675 -1.7212 PRESSURE: 1577600 -11.1559 -49.3977 20.994 -49.3967 -48.245 -92.3303 20.9963 -92.3311 51.6523 GPRESSURE: 1577600 26.4701 -13.5189 -69.5269 -108.113 -40.6675 -98.3339 103.641 -78.7064 96.5228 PRESSAVG: 1577600 17.2897 46.3214 -16.1478 46.3214 -16.5322 -36.4153 -16.1478 -36.4152 3.03097 GPRESSAVG: 1577600 18.3 45.6276 -16.3857 47.3522 -17.8656 -38.0208 -15.988 -35.8204 3.08398 TIMING: 1577600 CPU: 4754.08, 0.00304761/step Wall: 4754.08, 0.00304761/step, 2.89726 hours remaining, 207.042969 MB of memory in use. ENERGY: 1577600 742.5145 2034.5961 1919.4122 112.5738 -206322.9134 17831.0093 0.0000 0.0000 34224.5921 -149458.2154 298.8919 -183682.8075 -149356.9049 298.1883 -2.5829 27.4418 557546.7317 1.2628 1.1728 PRESSURE: 1577800 -33.395 24.1453 -178.595 24.1463 -401.336 -204.734 -178.593 -204.734 -339.54 GPRESSURE: 1577800 -32.6901 12.6232 -159.56 77.4293 -345.496 -152.287 -185.934 -155.125 -307.489 PRESSAVG: 1577800 -29.0157 7.33165 43.9889 7.33169 0.165108 -10.217 43.989 -10.217 23.3986 GPRESSAVG: 1577800 -28.763 8.52539 45.6534 6.331 -0.142907 -10.5462 43.7851 -9.8219 23.2068 TIMING: 1577800 CPU: 4754.69, 0.0030468/step Wall: 4754.69, 0.0030468/step, 2.89632 hours remaining, 207.042969 MB of memory in use. ENERGY: 1577800 742.7335 2082.8516 1912.2386 124.8519 -205987.2397 17452.4686 0.0000 0.0000 34282.8931 -149389.2024 299.4010 -183672.0955 -149294.6530 298.5038 -258.0902 -228.5583 558734.5033 -1.8173 -1.8997 PRESSURE: 1578000 -155.939 -35.5711 -3.58743 -35.5714 100.914 41.7135 -3.58673 41.7148 22.3452 GPRESSURE: 1578000 -74.2125 -24.0601 -73.7812 -30.8575 84.8421 73.2795 -23.1336 37.8563 57.5523 PRESSAVG: 1578000 -45.5159 26.4874 -13.1853 26.4874 39.6346 -15.4841 -13.1853 -15.4841 4.44899 GPRESSAVG: 1578000 -45.8419 25.5378 -14.1653 28.1671 39.3125 -14.7807 -13.5718 -16.6977 5.12985 TIMING: 1578000 CPU: 4755.29, 0.00304412/step Wall: 4755.29, 0.00304412/step, 2.89361 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: 1578000 719.5070 2083.6142 1908.6591 117.4446 -206174.6508 17743.5516 0.0000 0.0000 34126.0000 -149475.8743 298.0308 -183601.8743 -149369.5933 299.2931 -10.8932 22.7273 558363.7542 -0.4774 -0.4665 PRESSURE: 1578200 59.6649 -5.62872 13.209 -5.62724 18.3182 -81.6167 13.208 -81.6179 -13.6268 GPRESSURE: 1578200 47.1369 32.1446 30.4682 -4.11845 44.7997 -123.221 -40.2232 -2.15844 52.1342 PRESSAVG: 1578200 -72.9878 59.1398 0.13703 59.1398 59.8859 -20.287 0.136928 -20.2868 43.6407 GPRESSAVG: 1578200 -72.9406 60.2345 -0.436707 58.1209 59.6865 -22.7161 0.764274 -19.3882 44.3348 TIMING: 1578200 CPU: 4755.91, 0.00307352/step Wall: 4755.91, 0.00307352/step, 2.92138 hours remaining, 207.042969 MB of memory in use. ENERGY: 1578200 766.2856 2083.2644 1938.1622 106.5782 -206442.1080 17930.1646 0.0000 0.0000 34106.9770 -149510.6760 297.8647 -183617.6530 -149425.6562 298.7644 21.4521 48.0236 557718.5993 10.1796 10.3602 PRESSURE: 1578400 38.0703 13.8856 15.9928 13.8858 336.922 41.7047 15.9923 41.7059 78.0072 GPRESSURE: 1578400 87.1725 35.3436 -4.43661 16.7748 326.273 1.08513 -25.1669 106.076 137.708 PRESSAVG: 1578400 6.16091 9.58295 2.53386 9.58291 22.8227 -22.4757 2.53398 -22.4757 -27.6282 GPRESSAVG: 1578400 5.3924 9.7692 3.32319 7.77639 23.1878 -18.2697 3.00835 -23.8054 -27.5828 TIMING: 1578400 CPU: 4756.52, 0.0030556/step Wall: 4756.52, 0.0030556/step, 2.90418 hours remaining, 207.042969 MB of memory in use. ENERGY: 1578400 739.2340 2078.4965 1918.9662 109.2430 -206770.0773 18249.3026 0.0000 0.0000 34263.2372 -149411.5978 299.2294 -183674.8349 -149308.9096 298.0718 150.9998 183.7179 557023.6086 0.4518 0.3325 PRESSURE: 1578600 -318.715 100.108 -67.6992 100.107 -4.60358 -81.321 -67.6998 -81.3191 21.7525 GPRESSURE: 1578600 -262.053 43.6558 -64.4981 112.695 50.3211 -112.224 -56.7487 -90.9309 8.08306 PRESSAVG: 1578600 -26.9795 40.1979 -66.1516 40.1979 78.2844 50.4109 -66.1517 50.411 0.652011 GPRESSAVG: 1578600 -26.1959 39.6372 -66.711 40.8353 77.5896 51.0897 -67.2372 49.694 0.213851 TIMING: 1578600 CPU: 4757.13, 0.00303605/step Wall: 4757.13, 0.00303605/step, 2.88543 hours remaining, 207.042969 MB of memory in use. ENERGY: 1578600 739.1124 2049.0845 1931.4836 109.0734 -206283.6965 17711.8917 0.0000 0.0000 34253.0159 -149490.0350 299.1401 -183743.0509 -149390.3184 298.0189 -100.5219 -67.8830 558361.7816 17.3190 17.2025 PRESSURE: 1578800 -25.0066 106.021 69.3106 106.022 55.6359 4.26144 69.3099 4.26228 -262.902 GPRESSURE: 1578800 -41.4924 24.4376 143.478 170.694 103.005 67.9209 71.4898 -41.6497 -190.155 PRESSAVG: 1578800 -54.1472 5.78717 -9.12346 5.78718 61.4079 -14.5114 -9.12345 -14.5112 -7.48416 GPRESSAVG: 1578800 -56.6976 6.45262 -9.09157 5.59027 63.1081 -16.4228 -8.24444 -14.2332 -6.15225 TIMING: 1578800 CPU: 4757.74, 0.00304846/step Wall: 4757.74, 0.00304846/step, 2.89705 hours remaining, 207.042969 MB of memory in use. ENERGY: 1578800 759.4608 2088.7298 1928.5329 109.8957 -206416.5375 17879.4822 0.0000 0.0000 34114.7733 -149535.6629 297.9328 -183650.4362 -149446.8879 298.1064 -77.4242 -42.8808 558466.1073 -0.0745 0.0861 PRESSURE: 1579000 63.6481 76.2975 -51.9081 76.2985 -146.081 -170.993 -51.9081 -170.994 109.188 GPRESSURE: 1579000 74.6 9.69087 -55.564 136.488 -89.8055 -210.593 -59.6191 -86.5872 133.662 PRESSAVG: 1579000 -53.2505 -8.40402 -11.3148 -8.40397 104.566 -23.0017 -11.3147 -23.0018 -39.325 GPRESSAVG: 1579000 -51.2291 -10.5301 -10.3911 -6.23377 103.4 -23.5532 -12.9723 -23.4423 -39.7769 TIMING: 1579000 CPU: 4758.35, 0.00307038/step Wall: 4758.35, 0.00307038/step, 2.91771 hours remaining, 207.042969 MB of memory in use. ENERGY: 1579000 748.7069 2110.6877 1933.7997 107.5976 -206721.1634 17941.0772 0.0000 0.0000 34203.8387 -149675.4556 298.7106 -183879.2943 -149573.4649 297.7248 8.9187 39.4855 556955.5669 3.9967 4.1314 PRESSURE: 1579200 160.03 -21.1807 -131.348 -21.1807 -105.158 131.222 -131.348 131.223 -21.4407 GPRESSURE: 1579200 191.145 -67.1085 -161.715 41.6313 -77.043 158.472 -95.0013 138.812 13.0184 PRESSAVG: 1579200 -15.1418 -24.6885 -19.092 -24.6884 -31.7472 -18.6358 -19.092 -18.6359 38.2706 GPRESSAVG: 1579200 -16.0902 -22.075 -20.4429 -24.8553 -32.1531 -18.3148 -18.3647 -17.4921 39.197 TIMING: 1579200 CPU: 4758.96, 0.00304185/step Wall: 4758.96, 0.00304185/step, 2.89043 hours remaining, 207.042969 MB of memory in use. ENERGY: 1579200 758.8782 2145.2782 1951.1235 116.9055 -206953.1190 18094.8972 0.0000 0.0000 34229.7640 -149656.2725 298.9370 -183886.0365 -149563.7179 297.6105 11.1438 42.3736 558280.3488 -2.8728 -3.0154 PRESSURE: 1579400 488.229 229.424 3.81971 229.424 -257.633 -28.6063 3.82029 -28.6054 361.546 GPRESSURE: 1579400 505.916 155.959 66.8003 179.759 -223.981 -19.3784 -76.4739 -32.4984 401.394 PRESSAVG: 1579400 41.8375 17.4235 -36.6108 17.4235 -7.58247 -13.2537 -36.6109 -13.2537 -16.1574 GPRESSAVG: 1579400 42.8455 16.4673 -34.8959 17.1899 -8.12582 -13.2164 -35.0439 -12.4422 -15.8672 TIMING: 1579400 CPU: 4759.57, 0.00302997/step Wall: 4759.57, 0.00302997/step, 2.87898 hours remaining, 207.042969 MB of memory in use. ENERGY: 1579400 723.9063 2131.5503 1939.8857 119.5234 -206840.5121 18154.5073 0.0000 0.0000 34119.8881 -149651.2510 297.9775 -183771.1391 -149556.3179 298.2811 197.3809 227.7763 555426.7813 6.0325 6.2841 PRESSURE: 1579600 -287.88 44.6835 14.6162 44.6828 -366.765 15.6002 14.6156 15.5994 -86.4032 GPRESSURE: 1579600 -252.12 41.2511 -18.3448 44.5007 -242.702 -27.1973 70.2523 13.0913 -149.951 PRESSAVG: 1579600 50.7901 -31.3536 -11.3529 -31.3535 -58.6361 -3.80385 -11.3529 -3.80394 3.52657 GPRESSAVG: 1579600 50.7214 -33.0535 -11.3383 -30.3578 -56.5842 -4.71232 -12.9166 -4.81287 1.69913 TIMING: 1579600 CPU: 4760.18, 0.00305475/step Wall: 4760.18, 0.00305475/step, 2.90236 hours remaining, 207.042969 MB of memory in use. ENERGY: 1579600 792.6541 2103.7013 1912.1796 114.0310 -206269.2237 17451.5977 0.0000 0.0000 34257.4394 -149637.6206 299.1787 -183895.0599 -149543.9635 298.0459 -247.0161 -214.9241 557476.8685 -1.4398 -1.3879 PRESSURE: 1579800 142.748 -6.36512 -22.5889 -6.36634 334.82 -165.553 -22.5898 -165.552 -95.0206 GPRESSURE: 1579800 239.046 32.8863 -5.19251 -38.9885 326.358 -86.9995 7.64109 -199.638 -92.67 PRESSAVG: 1579800 -17.0226 19.7147 20.6745 19.7148 19.1317 -41.7242 20.6745 -41.7242 13.7444 GPRESSAVG: 1579800 -16.6619 22.5927 20.9378 18.7868 18.1342 -41.5232 21.3973 -41.3488 14.1864 TIMING: 1579800 CPU: 4760.79, 0.0030555/step Wall: 4760.79, 0.0030555/step, 2.90289 hours remaining, 207.042969 MB of memory in use. ENERGY: 1579800 749.1481 2086.1381 1930.4830 119.6623 -206685.2964 18067.3102 0.0000 0.0000 34194.2493 -149538.3054 298.6269 -183732.5547 -149441.8139 298.2244 127.5157 157.5783 556281.8316 5.2845 5.2196 PRESSURE: 1580000 -66.6154 -76.6523 8.69784 -76.6518 -75.3452 128.653 8.69884 128.653 -416.533 GPRESSURE: 1580000 -48.5116 3.20229 -67.21 -140.369 -41.3434 135.217 -35.7719 145.649 -363.711 PRESSAVG: 1580000 -20.2324 16.5891 -37.3512 16.5891 16.5329 -24.8438 -37.3511 -24.8439 -2.43768 GPRESSAVG: 1580000 -19.9356 15.6348 -37.7767 15.6747 16.2818 -25.7621 -37.3873 -25.3904 -1.79018 TIMING: 1580000 CPU: 4761.4, 0.00306581/step Wall: 4761.4, 0.00306581/step, 2.91252 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: 1580000 732.8455 2136.9512 1949.0973 108.7215 -206367.6099 17595.0997 0.0000 0.0000 34325.6131 -149519.2817 299.7741 -183844.8947 -149421.1786 298.4877 -186.1646 -151.1888 558016.1114 -2.0457 -1.8147 PRESSURE: 1580200 -180.411 -22.7227 6.6907 -22.7222 -44.0826 60.0821 6.69115 60.0812 -65.769 GPRESSURE: 1580200 -132.066 -14.1234 19.8493 -114.002 -40.6834 -39.0626 -39.8007 94.0865 -13.8915 PRESSAVG: 1580200 -8.96593 -15.7993 1.21135 -15.7992 -27.5727 -25.9576 1.21136 -25.9575 68.4494 GPRESSAVG: 1580200 -9.56151 -14.6433 -1.16323 -16.743 -26.3657 -24.9106 2.92511 -25.2377 68.0038 TIMING: 1580200 CPU: 4762.02, 0.00307971/step Wall: 4762.02, 0.00307971/step, 2.92555 hours remaining, 207.042969 MB of memory in use. ENERGY: 1580200 763.4736 2119.1424 1929.6154 117.1110 -205950.6155 17424.0689 0.0000 0.0000 34202.8246 -149394.3796 298.7018 -183597.2042 -149293.0871 298.7429 -96.7541 -62.2135 555274.8357 10.6369 10.6922 LDB: ============= START OF LOAD BALANCING ============== 4765.54 LDB: ============== END OF LOAD BALANCING =============== 4765.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4765.54 LDB: ============= START OF LOAD BALANCING ============== 4765.85 LDB: Largest compute 4800 load 0.031502 is 26.7% of average load 0.117967 LDB: Average compute 0.001739 is 1.5% of average load 0.117967 LDB: TIME 4765.85 LOAD: AVG 0.117967 MAX 0.222357 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.562 MB LDB: TIME 4765.85 LOAD: AVG 0.117967 MAX 0.222357 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.562 MB LDB: TIME 4765.85 LOAD: AVG 0.117967 MAX 0.222357 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.562 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4765.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4765.86 PRESSURE: 1580400 8.22534 -168.374 54.9751 -168.373 -69.0924 84.2264 54.9743 84.2265 -190.409 GPRESSURE: 1580400 0.220383 -126.588 -15.869 -79.3803 -32.981 71.388 139.354 31.5753 -126.116 PRESSAVG: 1580400 -31.1606 -32.3262 -22.7995 -32.3262 77.896 -13.779 -22.7995 -13.7792 -29.9137 GPRESSAVG: 1580400 -30.9966 -32.5712 -20.2765 -30.689 77.4264 -11.0713 -24.2822 -15.3868 -29.5191 TIMING: 1580400 CPU: 4762.64, 0.00312672/step Wall: 4762.64, 0.00312672/step, 2.97004 hours remaining, 207.246094 MB of memory in use. ENERGY: 1580400 760.3871 2078.9271 1922.5930 115.1071 -206208.5683 17696.4957 0.0000 0.0000 34343.6852 -149291.3730 299.9319 -183635.0582 -149194.9484 298.4425 -83.7588 -52.9590 556559.8532 5.6073 5.6369 PRESSURE: 1580600 30.5568 203.633 127.772 203.633 -57.8897 -26.0036 127.772 -26.0053 -230.814 GPRESSURE: 1580600 10.4112 188.585 133.469 188.123 -3.27563 9.05336 47.1128 16.37 -175.148 PRESSAVG: 1580600 -13.3701 -41.4658 5.93227 -41.4658 25.4951 -24.8309 5.93218 -24.8309 -11.2732 GPRESSAVG: 1580600 -14.4763 -42.2969 3.75412 -41.8209 25.6162 -27.4367 7.70478 -23.4618 -10.0193 TIMING: 1580600 CPU: 4763.26, 0.00309305/step Wall: 4763.26, 0.00309305/step, 2.93788 hours remaining, 207.765625 MB of memory in use. ENERGY: 1580600 747.0050 2117.3656 1926.3115 115.9081 -206108.5264 17648.1506 0.0000 0.0000 34360.0156 -149193.7700 300.0746 -183553.7855 -149095.8303 299.3066 -86.0490 -56.0040 557062.6610 0.2839 0.3735 PRESSURE: 1580800 -162.37 176.117 186.388 176.118 131.511 -117.923 186.388 -117.923 -92.8552 GPRESSURE: 1580800 -129.192 193.347 162.595 153.076 178.129 -107.796 59.0023 -26.5951 -62.4651 PRESSAVG: 1580800 -74.5009 9.57967 55.856 9.57964 39.4502 -40.2336 55.856 -40.2336 41.7488 GPRESSAVG: 1580800 -72.4138 12.3435 58.3931 8.15404 38.2701 -39.5006 54.1851 -40.4023 40.4778 TIMING: 1580800 CPU: 4763.87, 0.00306385/step Wall: 4763.87, 0.00306385/step, 2.90997 hours remaining, 207.765625 MB of memory in use. ENERGY: 1580800 740.1193 2058.0714 1962.9272 109.6706 -205931.2685 17588.5572 0.0000 0.0000 34324.0326 -149147.8901 299.7603 -183471.9227 -149041.9483 300.2614 -41.2381 -4.5093 557360.5301 2.2327 2.1114 PRESSURE: 1581000 -23.8773 67.1804 28.6112 67.1796 -135.262 -41.662 28.6111 -41.6607 0.241981 GPRESSURE: 1581000 10.3241 98.8577 38.4758 57.1025 -128.359 -22.3695 57.4907 9.90468 58.4562 PRESSAVG: 1581000 -8.54732 -5.32415 57.8743 -5.32407 -23.6865 -8.44151 57.8744 -8.44143 40.6184 GPRESSAVG: 1581000 -10.0014 -6.27659 57.5582 -4.85454 -23.0546 -7.53176 58.7698 -7.43053 41.4786 TIMING: 1581000 CPU: 4764.49, 0.00306298/step Wall: 4764.49, 0.00306298/step, 2.90898 hours remaining, 207.765625 MB of memory in use. ENERGY: 1581000 724.4375 2077.7885 1950.1809 123.8181 -205987.6651 17633.4886 0.0000 0.0000 34274.7353 -149203.2161 299.3298 -183477.9514 -149107.8694 299.6502 -52.9657 -19.8594 556330.8833 2.7948 2.8075 PRESSURE: 1581200 49.7939 165.094 -31.7362 165.094 -89.4537 13.6005 -31.7359 13.5986 -165.641 GPRESSURE: 1581200 53.6349 183.006 -43.3095 65.9306 -33.7904 -9.72072 23.618 95.0008 -124.123 PRESSAVG: 1581200 -34.6209 16.9015 -53.165 16.9016 1.72359 -15.3593 -53.165 -15.3593 22.4015 GPRESSAVG: 1581200 -33.5403 15.3277 -52.6846 17.116 2.17349 -16.2017 -55.5581 -16.6159 20.756 TIMING: 1581200 CPU: 4765.09, 0.00302507/step Wall: 4765.09, 0.00302507/step, 2.87281 hours remaining, 207.765625 MB of memory in use. ENERGY: 1581200 766.0722 2084.5994 1918.6954 102.6107 -206419.8661 17800.3263 0.0000 0.0000 34428.3377 -149319.2244 300.6712 -183747.5621 -149224.3111 299.9818 -68.4334 -34.7595 556145.4053 -3.4986 -3.5369 PRESSURE: 1581400 -120.139 116.146 168.659 116.146 -115.838 -79.3563 168.659 -79.356 133.608 GPRESSURE: 1581400 -91.9102 179.006 193.196 86.7386 -72.6606 -141.206 191.181 -92.4864 158.484 PRESSAVG: 1581400 58.3304 -0.516345 22.0371 -0.516409 -39.5438 48.4322 22.037 48.4323 -11.1277 GPRESSAVG: 1581400 57.753 0.259779 21.6966 -0.116025 -38.905 49.142 23.7333 49.0052 -11.2562 TIMING: 1581400 CPU: 4765.7, 0.00306069/step Wall: 4765.7, 0.00306069/step, 2.90647 hours remaining, 207.765625 MB of memory in use. ENERGY: 1581400 743.6362 2079.8378 1947.0110 122.1286 -206023.0927 17617.7738 0.0000 0.0000 34230.5006 -149282.2047 298.9435 -183512.7053 -149185.7483 299.7142 -34.1233 -2.0288 556323.5700 2.5530 2.5306 PRESSURE: 1581600 25.2438 -0.428728 155.847 -0.429655 119.472 28.1526 155.848 28.1524 -114.389 GPRESSURE: 1581600 102.574 -20.8403 100.083 -22.4393 90.8651 30.4205 179.308 -8.26354 -70.8602 PRESSAVG: 1581600 7.12837 19.6264 5.90594 19.6265 -16.8467 34.1574 5.90602 34.1574 20.4014 GPRESSAVG: 1581600 7.47686 17.5403 7.2484 20.8996 -17.3755 33.6295 6.53141 32.5035 20.5591 TIMING: 1581600 CPU: 4766.31, 0.00304871/step Wall: 4766.31, 0.00304871/step, 2.89492 hours remaining, 207.765625 MB of memory in use. ENERGY: 1581600 768.2149 2068.0789 1956.1847 106.4259 -206162.3493 17684.9362 0.0000 0.0000 34187.5644 -149390.9443 298.5685 -183578.5088 -149295.9110 298.9012 10.1091 40.8597 556706.8717 3.5610 3.5535 PRESSURE: 1581800 16.2594 70.7784 85.3559 70.7788 258.015 -33.2142 85.3566 -33.2147 -214.245 GPRESSURE: 1581800 33.4818 111.106 102.694 -0.819897 273.063 10.9395 38.8389 31.6176 -155.943 PRESSAVG: 1581800 -46.6922 39.8141 -8.56807 39.8141 95.8881 5.6139 -8.56805 5.61393 17.9752 GPRESSAVG: 1581800 -46.3871 39.5143 -9.84817 38.9837 95.2672 6.50312 -11.2592 7.42868 18.1221 TIMING: 1581800 CPU: 4766.92, 0.00304437/step Wall: 4766.92, 0.00304437/step, 2.89063 hours remaining, 207.765625 MB of memory in use. ENERGY: 1581800 747.4278 2187.7190 1940.5552 116.2645 -206453.0563 17838.2447 0.0000 0.0000 34273.6363 -149349.2088 299.3202 -183622.8451 -149250.4108 299.5705 20.0100 50.2006 556052.6260 22.3904 22.3340 PRESSURE: 1582000 78.2371 20.4939 -68.1077 20.4945 -191.366 -95.1378 -68.1071 -95.1395 212.606 GPRESSURE: 1582000 142.798 102.022 -49.3729 31.2123 -147.421 -121.758 -117.831 -84.2247 199.997 PRESSAVG: 1582000 29.4305 22.9772 23.5937 22.9772 -15.4749 -33.7066 23.5938 -33.7067 -7.21067 GPRESSAVG: 1582000 29.1395 26.3437 23.6151 22.7379 -14.2666 -34.9243 23.2063 -33.071 -8.14403 TIMING: 1582000 CPU: 4767.53, 0.00305195/step Wall: 4767.53, 0.00305195/step, 2.89766 hours remaining, 207.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1582000 761.7321 2095.1182 1915.6800 118.9566 -206392.3001 17809.3230 0.0000 0.0000 34377.3568 -149314.1334 300.2260 -183691.4902 -149216.5424 299.7477 33.1593 65.1245 555936.9902 2.2483 2.2430 PRESSURE: 1582200 -19.8162 66.2982 66.3727 66.2981 -125.935 -2.81869 66.3714 -2.82037 -179.104 GPRESSURE: 1582200 -0.587434 76.163 15.1265 95.5826 -87.6358 -15.7225 128.112 -23.5116 -137.941 PRESSAVG: 1582200 -13.6825 87.6838 41.1183 87.6839 4.53243 -12.262 41.1183 -12.2621 -5.85818 GPRESSAVG: 1582200 -13.8205 85.7866 40.7571 88.5881 3.56728 -13.2701 44.4811 -11.9519 -4.32835 TIMING: 1582200 CPU: 4768.14, 0.00305103/step Wall: 4768.14, 0.00305103/step, 2.89661 hours remaining, 207.777344 MB of memory in use. ENERGY: 1582200 729.6887 2059.9407 1907.7370 115.8611 -206250.7697 17717.5332 0.0000 0.0000 34426.7008 -149293.3082 300.6569 -183720.0090 -149189.9248 300.4412 -108.2850 -75.3883 557535.0611 -5.0028 -4.8605 PRESSURE: 1582400 -68.4774 84.2847 3.51844 84.2851 24.4784 -73.8917 3.51742 -73.8922 -336.756 GPRESSURE: 1582400 -19.2849 80.071 25.4478 34.7052 63.6965 -44.1425 9.11836 -84.0394 -328.932 PRESSAVG: 1582400 -30.2397 64.3925 17.3317 64.3924 26.6051 -42.6953 17.3318 -42.6952 -26.595 GPRESSAVG: 1582400 -30.1321 65.9278 18.206 64.0647 27.1272 -42.0855 14.2545 -43.81 -26.8394 TIMING: 1582400 CPU: 4768.75, 0.00302507/step Wall: 4768.75, 0.00302507/step, 2.8718 hours remaining, 207.777344 MB of memory in use. ENERGY: 1582400 755.7552 2130.2719 1929.6484 101.7574 -206329.2825 17896.4154 0.0000 0.0000 34314.8523 -149200.5820 299.6801 -183515.4343 -149108.3447 299.3656 -126.9182 -94.8403 557643.3483 -10.0765 -9.9481 PRESSURE: 1582600 -34.507 -162.1 55.43 -162.1 -52.5554 -112.768 55.4296 -112.768 -9.7037 GPRESSURE: 1582600 -5.55413 -64.3163 87.4596 -234.663 -1.5054 -83.6063 3.25577 -64.6846 18.2598 PRESSAVG: 1582600 42.5207 37.9778 -8.98526 37.9778 58.2231 -24.3345 -8.98528 -24.3344 -67.7311 GPRESSAVG: 1582600 43.0385 35.8102 -9.48212 38.3945 58.6106 -23.6034 -6.8411 -24.1633 -68.4299 TIMING: 1582600 CPU: 4769.36, 0.00305098/step Wall: 4769.36, 0.00305098/step, 2.89623 hours remaining, 207.777344 MB of memory in use. ENERGY: 1582600 739.8964 2119.0943 1939.7482 102.1532 -206080.4955 17619.1633 0.0000 0.0000 34319.3981 -149241.0420 299.7198 -183560.4400 -149142.5369 299.6382 -32.2554 3.7334 556517.9805 11.0042 11.0731 PRESSURE: 1582800 99.5103 -147.686 -39.7045 -147.685 41.1889 -59.3218 -39.7029 -59.3222 131.105 GPRESSURE: 1582800 81.9636 -185.937 37.0955 -131.738 40.704 7.47042 -50.5681 -192.166 240.64 PRESSAVG: 1582800 -48.0107 18.1459 -2.13705 18.146 69.0751 -63.9076 -2.13693 -63.9076 -51.5932 GPRESSAVG: 1582800 -47.7616 21.4724 -1.4748 17.8914 68.9656 -66.5508 -3.28188 -63.1365 -51.7321 TIMING: 1582800 CPU: 4769.97, 0.00304345/step Wall: 4769.97, 0.00304345/step, 2.88891 hours remaining, 207.777344 MB of memory in use. ENERGY: 1582800 748.2051 2110.9562 1944.5109 111.2007 -206527.8756 17995.1106 0.0000 0.0000 34384.6842 -149233.2079 300.2900 -183617.8921 -149137.5168 299.8310 90.6015 121.1027 556910.6298 -10.1763 -10.1761 PRESSURE: 1583000 15.8014 130.225 -48.4623 130.225 -392.293 24.6695 -48.4629 24.6711 103.645 GPRESSURE: 1583000 -15.1834 90.4535 29.2419 137.306 -314.566 49.3074 -9.4922 -47.3599 138.766 PRESSAVG: 1583000 -4.93831 -14.9538 -46.422 -14.9539 13.5174 14.2823 -46.422 14.2824 19.9427 GPRESSAVG: 1583000 -6.07897 -18.8565 -46.4388 -13.8971 13.4201 14.9213 -45.8565 12.3708 20.9272 TIMING: 1583000 CPU: 4770.57, 0.00301207/step Wall: 4770.57, 0.00301207/step, 2.85895 hours remaining, 207.777344 MB of memory in use. ENERGY: 1583000 760.1564 2138.5119 1924.2820 115.4859 -206200.8174 17654.6624 0.0000 0.0000 34235.5923 -149372.1266 298.9879 -183607.7188 -149273.5279 299.3269 -90.9490 -63.6612 558852.4563 9.5073 9.4228 PRESSURE: 1583200 197.705 19.9246 21.7417 19.9242 35.3019 32.6778 21.742 32.6759 114.105 GPRESSURE: 1583200 192.159 91.0088 -1.68679 -47.7484 127.82 -51.047 -56.0948 98.3838 109.351 PRESSAVG: 1583200 -56.5692 8.25218 -17.5068 8.25206 57.1717 -4.60456 -17.5068 -4.60458 5.12032 GPRESSAVG: 1583200 -56.5277 9.56482 -16.1735 7.85217 58.2871 -4.59786 -20.0467 -5.00547 3.74402 TIMING: 1583200 CPU: 4771.18, 0.00304656/step Wall: 4771.18, 0.00304656/step, 2.89153 hours remaining, 207.777344 MB of memory in use. ENERGY: 1583200 755.6029 2148.4769 1921.6123 111.2010 -206725.6883 18121.5806 0.0000 0.0000 34364.7592 -149302.4553 300.1160 -183667.2145 -149212.3046 299.5615 115.7040 143.1102 557887.0561 1.9076 1.8345 PRESSURE: 1583400 -41.2941 -30.5292 148.415 -30.5286 -65.713 -35.2883 148.416 -35.2899 -13.278 GPRESSURE: 1583400 -47.3062 -11.4962 159.721 8.26131 -11.1605 6.8184 134.294 -44.5954 38.2808 PRESSAVG: 1583400 -54.6176 22.6316 -35.3235 22.6317 -13.8766 -2.01983 -35.3235 -2.01989 70.6974 GPRESSAVG: 1583400 -54.2563 23.97 -36.0467 22.9535 -14.053 0.926654 -32.0985 -3.33178 70.9288 TIMING: 1583400 CPU: 4771.78, 0.00302971/step Wall: 4771.78, 0.00302971/step, 2.87536 hours remaining, 207.777344 MB of memory in use. ENERGY: 1583400 699.5780 2133.5985 1899.9416 102.4318 -206343.3706 17843.4258 0.0000 0.0000 34256.7828 -149407.6121 299.1730 -183664.3949 -149307.0808 298.7391 -40.0950 -6.7286 557918.1136 0.7344 0.8732 PRESSURE: 1583600 32.215 -156.493 231.678 -156.492 207.224 36.4766 231.679 36.4771 -39.0766 GPRESSURE: 1583600 79.9042 -90.5862 240.763 -186.439 220.035 2.50428 217.242 58.8723 -16.1181 PRESSAVG: 1583600 -49.2193 -40.2708 83.0439 -40.2709 -5.81209 18.9955 83.044 18.9956 17.9638 GPRESSAVG: 1583600 -48.3759 -41.3052 81.2295 -40.6969 -7.72858 16.1492 80.8429 20.883 19.1911 TIMING: 1583600 CPU: 4772.39, 0.00302994/step Wall: 4772.39, 0.00302994/step, 2.87542 hours remaining, 207.777344 MB of memory in use. ENERGY: 1583600 691.8094 2123.8272 1946.2076 117.3568 -206166.2944 17730.6131 0.0000 0.0000 34196.2809 -149360.1993 298.6446 -183556.4802 -149262.1385 299.3816 66.7876 94.6072 556909.3088 -12.3559 -12.3045 PRESSURE: 1583800 34.0731 156.828 164.776 156.827 66.0118 -44.2921 164.776 -44.2924 38.7568 GPRESSURE: 1583800 13.5051 161.946 100.232 136.101 180.661 2.3643 142.461 -74.593 45.4704 PRESSAVG: 1583800 -25.4943 0.874742 37.1234 0.874671 -13.125 -37.8028 37.1234 -37.8027 28.0805 GPRESSAVG: 1583800 -25.3039 -0.408403 36.7555 -0.30986 -12.3586 -35.1713 38.7722 -38.232 27.6472 TIMING: 1583800 CPU: 4772.99, 0.00302042/step Wall: 4772.99, 0.00302042/step, 2.86621 hours remaining, 207.777344 MB of memory in use. ENERGY: 1583800 765.6167 2119.3593 1902.0837 118.8647 -206377.1629 17807.0573 0.0000 0.0000 34304.0671 -149360.1141 299.5860 -183664.1812 -149262.7577 299.5839 46.2806 79.8789 557067.9534 -3.5129 -3.3384 PRESSURE: 1584000 146.996 18.4362 163.533 18.4365 -248.228 -72.3088 163.535 -72.3072 -126.47 GPRESSURE: 1584000 156.925 0.016736 139.969 85.3863 -212.894 -17.7528 124.712 -136.917 -77.1214 PRESSAVG: 1584000 -48.0477 -6.50713 4.12639 -6.5072 -24.1273 -7.75669 4.12644 -7.75661 68.3405 GPRESSAVG: 1584000 -47.2011 -4.50741 4.24165 -6.42795 -24.4199 -10.774 4.87025 -5.80406 67.9838 TIMING: 1584000 CPU: 4773.6, 0.00302073/step Wall: 4773.6, 0.00302073/step, 2.86634 hours remaining, 207.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1584000 743.8145 2072.8997 1948.7857 111.6249 -206153.8185 17576.1036 0.0000 0.0000 34426.5503 -149274.0396 300.6556 -183700.5900 -149167.0924 299.8582 -75.9005 -44.3636 556723.4751 -1.2781 -1.2124 PRESSURE: 1584200 -385.36 37.6461 67.3948 37.6459 -259.348 27.7534 67.3947 27.7544 -246.831 GPRESSURE: 1584200 -375.477 37.5707 96.4881 46.5556 -235.076 61.0228 -40.3146 -37.8776 -186.947 PRESSAVG: 1584200 43.2561 -8.67183 12.5686 -8.6718 -42.5731 -26.0071 12.5687 -26.0071 -43.8274 GPRESSAVG: 1584200 42.3481 -9.98666 14.8692 -8.30935 -42.5619 -23.6328 9.81225 -27.6451 -42.9175 TIMING: 1584200 CPU: 4774.2, 0.00302893/step Wall: 4774.2, 0.00302893/step, 2.87395 hours remaining, 207.777344 MB of memory in use. ENERGY: 1584200 746.5906 2151.2499 1928.6379 100.8921 -205674.7330 17409.5474 0.0000 0.0000 33949.1251 -149388.6900 296.4862 -183337.8151 -149300.6391 299.2124 -297.1794 -265.8333 558800.2465 -14.3815 -14.3771 LDB: ============= START OF LOAD BALANCING ============== 4777.73 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4777.73 LDB: =============== DONE WITH MIGRATION ================ 4777.73 LDB: ============= START OF LOAD BALANCING ============== 4778.03 LDB: Largest compute 4800 load 0.031119 is 26.4% of average load 0.117926 LDB: Average compute 0.001738 is 1.5% of average load 0.117926 LDB: TIME 4778.03 LOAD: AVG 0.117926 MAX 0.219141 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 4778.03 LOAD: AVG 0.117926 MAX 0.219141 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: TIME 4778.03 LOAD: AVG 0.117926 MAX 0.219141 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: ============== END OF LOAD BALANCING =============== 4778.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4778.04 PRESSURE: 1584400 106.464 55.7137 -85.389 55.7133 -116.671 -73.9969 -85.3888 -73.9963 -234.385 GPRESSURE: 1584400 123.04 16.059 -157.941 41.0811 -65.6133 -96.959 -38.0322 -73.1115 -202.756 PRESSAVG: 1584400 -54.5122 -25.5117 4.47753 -25.5116 41.7278 -1.49012 4.47753 -1.49004 29.3102 GPRESSAVG: 1584400 -53.8432 -23.8023 3.05991 -26.2475 41.2282 -2.95214 5.94187 -0.742721 29.2201 TIMING: 1584400 CPU: 4774.82, 0.00309378/step Wall: 4774.82, 0.00309378/step, 2.93531 hours remaining, 208.015625 MB of memory in use. ENERGY: 1584400 719.8238 2064.5527 1948.6536 106.7111 -206000.0286 17705.2747 0.0000 0.0000 34174.6787 -149280.3339 298.4560 -183455.0127 -149189.8424 299.3494 -81.5307 -48.4432 558247.8633 5.5086 5.5350 PRESSURE: 1584600 -99.9648 78.3607 -21.5681 78.3611 -125.183 -105.47 -21.5681 -105.469 101.172 GPRESSURE: 1584600 -83.3571 109.942 -62.0797 49.3494 -28.8715 -56.5997 -80.8354 -118.214 85.659 PRESSAVG: 1584600 -8.015 37.2348 0.690502 37.2349 -2.70061 -24.2481 0.690511 -24.2481 -9.92343 GPRESSAVG: 1584600 -8.45657 35.4767 1.71974 38.4886 -2.04428 -24.9259 -0.240744 -24.3002 -9.74078 TIMING: 1584600 CPU: 4775.43, 0.00301799/step Wall: 4775.43, 0.00301799/step, 2.86324 hours remaining, 208.218750 MB of memory in use. ENERGY: 1584600 712.6831 2110.5625 1943.0995 119.5406 -206063.8446 17684.0075 0.0000 0.0000 34283.6135 -149210.3379 299.4073 -183493.9514 -149112.5079 299.2140 -41.3254 -8.8565 557007.9903 -6.8797 -6.7472 PRESSURE: 1584800 -53.2166 160.775 30.3932 160.774 78.5615 145.506 30.3924 145.506 362.054 GPRESSURE: 1584800 -16.3608 104.775 39.3576 68.6408 126.694 98.23 -20.6171 123.405 378.282 PRESSAVG: 1584800 26.3438 28.2472 -61.6572 28.2472 -16.5524 11.0828 -61.6573 11.0829 -9.74193 GPRESSAVG: 1584800 25.4924 29.3777 -61.8898 29.1931 -15.865 11.3042 -61.5432 9.42281 -10.3721 TIMING: 1584800 CPU: 4776.03, 0.00302645/step Wall: 4776.03, 0.00302645/step, 2.87109 hours remaining, 208.218750 MB of memory in use. ENERGY: 1584800 738.0156 2089.2362 1898.8938 107.2213 -206375.2667 17980.8884 0.0000 0.0000 34393.2456 -149167.7659 300.3648 -183561.0115 -149068.5505 299.4653 129.1329 162.8718 555596.0963 0.0165 -0.2482 PRESSURE: 1585000 -35.5719 75.8413 -139.599 75.841 -383.474 -49.8879 -139.599 -49.887 144.57 GPRESSURE: 1585000 -56.1708 20.9196 -114.946 40.3208 -305.818 -12.5665 -185.049 -89.8056 174.205 PRESSAVG: 1585000 21.3838 -1.48455 -12.4803 -1.48452 -40.0068 9.16578 -12.4802 9.16578 19.3355 GPRESSAVG: 1585000 20.0655 -2.90502 -13.75 -2.09755 -40.3791 11.4563 -11.478 8.8084 20.3557 TIMING: 1585000 CPU: 4776.63, 0.00301053/step Wall: 4776.63, 0.00301053/step, 2.85582 hours remaining, 208.343750 MB of memory in use. ENERGY: 1585000 731.2280 2042.1402 1918.1599 115.9367 -206090.3517 17681.5343 0.0000 0.0000 34496.8229 -149104.5298 301.2693 -183601.3527 -148998.7530 300.0439 -91.4920 -62.5945 556307.9838 0.2375 0.0140 PRESSURE: 1585200 158.272 187.948 -88.5306 187.947 -26.1925 24.3717 -88.53 24.3712 -54.8725 GPRESSURE: 1585200 214.251 98.7644 -60.0077 225.863 17.136 15.5645 -108.098 45.3382 -58.6289 PRESSAVG: 1585200 -57.2892 -6.54472 -0.238028 -6.54488 42.7476 -50.8079 -0.238003 -50.8079 49.5566 GPRESSAVG: 1585200 -56.081 -4.58252 0.0778888 -6.65556 41.6672 -54.2286 -1.05266 -49.04 49.4463 TIMING: 1585200 CPU: 4777.24, 0.00301615/step Wall: 4777.24, 0.00301615/step, 2.86099 hours remaining, 208.343750 MB of memory in use. ENERGY: 1585200 716.3474 2054.4482 1916.4651 94.9556 -206082.4232 17684.9270 0.0000 0.0000 34392.4893 -149222.7906 300.3582 -183615.2799 -149126.6082 299.7074 25.7358 57.5862 555464.7500 11.6716 11.6775 PRESSURE: 1585400 155.619 7.77152 16.3163 7.77333 -75.9281 154.402 16.3158 154.401 -62.0802 GPRESSURE: 1585400 184.067 -25.951 10.2643 99.2289 -50.5875 155.493 4.37504 177.23 -40.2566 PRESSAVG: 1585400 63.0211 38.0177 24.8974 38.0178 -31.6826 18.2873 24.8975 18.2872 -9.14553 GPRESSAVG: 1585400 63.1297 39.493 23.7754 36.1888 -30.6897 20.1283 25.674 18.4643 -10.5187 TIMING: 1585400 CPU: 4777.84, 0.00303305/step Wall: 4777.84, 0.00303305/step, 2.87685 hours remaining, 208.343750 MB of memory in use. ENERGY: 1585400 765.0710 2032.4262 1911.3513 101.3310 -205889.4433 17629.0722 0.0000 0.0000 34142.9647 -149307.2269 298.1790 -183450.1916 -149212.4055 299.3450 5.8702 31.0744 556304.6953 7.3977 7.3071 PRESSURE: 1585600 64.9151 -48.622 -70.598 -48.6206 -211.98 -141.087 -70.5984 -141.087 -211.464 GPRESSURE: 1585600 101.612 -116.805 -25.0921 7.75969 -182.15 -97.6856 -54.3257 -153.816 -171.803 PRESSAVG: 1585600 83.7692 -23.5035 -17.7741 -23.5035 35.3866 6.73012 -17.7742 6.73009 -112.379 GPRESSAVG: 1585600 83.4984 -26.7411 -14.5022 -21.5176 34.8964 7.12806 -20.023 6.78466 -111.633 TIMING: 1585600 CPU: 4778.45, 0.00303083/step Wall: 4778.45, 0.00303083/step, 2.87457 hours remaining, 208.343750 MB of memory in use. ENERGY: 1585600 724.8063 2079.9161 1924.5028 107.4607 -205887.9257 17486.2118 0.0000 0.0000 34287.2591 -149277.7688 299.4392 -183565.0279 -149173.6874 299.0671 -119.5097 -84.1136 558281.6213 2.2588 2.2538 PRESSURE: 1585800 -146.483 24.9902 25.2819 24.9892 -331.057 -186.488 25.2812 -186.487 -277.294 GPRESSURE: 1585800 -93.7445 56.4666 51.0316 37.5592 -311.867 -127.284 119.199 -119.026 -241.206 PRESSAVG: 1585800 38.4852 13.9945 -0.568253 13.9945 -11.3408 -30.5868 -0.568252 -30.5869 -17.5824 GPRESSAVG: 1585800 38.2794 15.4866 -0.828607 14.1966 -10.0203 -30.9576 0.759746 -31.372 -18.5451 TIMING: 1585800 CPU: 4779.06, 0.00302821/step Wall: 4779.06, 0.00302821/step, 2.87192 hours remaining, 208.343750 MB of memory in use. ENERGY: 1585800 780.1759 2095.1870 1911.8618 116.8133 -205849.8490 17506.2041 0.0000 0.0000 34188.2687 -149251.3383 298.5747 -183439.6070 -149158.9005 298.7602 -251.6112 -215.6061 557671.2671 3.1874 3.2380 PRESSURE: 1586000 -77.7542 -39.5798 -142.383 -39.5801 75.1236 -26.0193 -142.384 -26.0208 -51.8604 GPRESSURE: 1586000 -40.5861 -46.8972 -125.156 -57.4525 91.5518 -50.0957 -82.1147 31.9999 -22.9417 PRESSAVG: 1586000 22.7872 51.3434 -16.7157 51.3434 -70.589 -11.1079 -16.7157 -11.1079 51.4266 GPRESSAVG: 1586000 22.9161 51.1873 -18.7671 51.4571 -71.4755 -12.0304 -15.9563 -10.9619 52.2417 TIMING: 1586000 CPU: 4779.65, 0.0029932/step Wall: 4779.65, 0.0029932/step, 2.83855 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: 1586000 773.8611 2112.8898 1900.0174 115.8583 -206120.8455 17706.8116 0.0000 0.0000 34297.4915 -149213.9158 299.5285 -183511.4073 -149119.9283 299.0298 -18.1637 9.3413 556679.9810 1.2083 1.2274 PRESSURE: 1586200 41.7575 135.463 -98.478 135.464 -162.19 35.7753 -98.4785 35.7732 174.853 GPRESSURE: 1586200 38.896 83.2052 -77.6697 157.003 -108.583 -57.2107 -72.9056 181.006 226.28 PRESSAVG: 1586200 25.7351 33.567 34.9514 33.5669 -6.64158 41.9953 34.9514 41.9953 37.5229 GPRESSAVG: 1586200 25.7251 31.5021 36.8858 33.921 -5.82197 44.0246 36.222 42.8239 37.3441 TIMING: 1586200 CPU: 4780.26, 0.00302404/step Wall: 4780.26, 0.00302404/step, 2.86763 hours remaining, 208.343750 MB of memory in use. ENERGY: 1586200 765.9765 2032.4801 1921.8465 120.7561 -206451.3495 17860.6368 0.0000 0.0000 34336.8105 -149412.8430 299.8719 -183749.6535 -149313.4575 299.0349 18.1402 52.1975 556257.0846 18.8721 19.0824 PRESSURE: 1586400 73.1729 254.35 0.0287057 254.35 -66.7238 1.55818 0.0282351 1.55963 152.158 GPRESSURE: 1586400 205.176 232.855 -4.60893 214.29 -102.849 -48.6624 6.06022 -5.01304 166.797 PRESSAVG: 1586400 -18.5623 48.9965 42.333 48.9965 36.7751 22.7152 42.3331 22.7153 -6.70275 GPRESSAVG: 1586400 -18.1687 51.4634 38.9932 47.7576 36.3428 21.238 42.9787 22.1589 -6.26598 TIMING: 1586400 CPU: 4780.86, 0.00302698/step Wall: 4780.86, 0.00302698/step, 2.87025 hours remaining, 208.343750 MB of memory in use. ENERGY: 1586400 756.1906 2111.5988 1911.3758 101.4984 -206258.8879 17837.8336 0.0000 0.0000 34186.2886 -149354.1020 298.5574 -183540.3907 -149258.8583 298.3742 52.8692 89.7079 556441.2460 3.8367 3.9694 PRESSURE: 1586600 138.265 -150.077 -118.783 -150.076 -11.5332 -99.3274 -118.782 -99.3276 -96.5291 GPRESSURE: 1586600 201.43 -134.12 -47.8233 -150.239 -19.9727 -111.151 -97.058 -12.186 -44.1171 PRESSAVG: 1586600 -10.4491 4.52617 -1.67205 4.52613 -64.1081 -36.1817 -1.67196 -36.1816 58.9066 GPRESSAVG: 1586600 -9.23306 3.52949 1.51477 4.53568 -64.2495 -36.4652 -3.20159 -33.9078 58.4897 TIMING: 1586600 CPU: 4781.47, 0.0030086/step Wall: 4781.47, 0.0030086/step, 2.85265 hours remaining, 208.343750 MB of memory in use. ENERGY: 1586600 739.3781 2079.3943 1925.0160 119.0209 -206118.2701 17767.8595 0.0000 0.0000 34200.7783 -149286.8230 298.6839 -183487.6012 -149197.9173 299.1545 10.0677 45.7801 556695.4392 -5.2168 -4.9976 PRESSURE: 1586800 34.5158 101.139 -9.08326 101.14 16.73 -135.8 -9.08492 -135.803 -48.8179 GPRESSURE: 1586800 59.4163 90.4688 -59.631 99.8551 25.7378 -115.638 8.22605 -46.9243 -13.3148 PRESSAVG: 1586800 32.638 -37.2029 -56.3088 -37.2027 -30.1867 -11.1358 -56.3087 -11.1357 -3.9101 GPRESSAVG: 1586800 31.8076 -37.2715 -57.6596 -37.0003 -30.9489 -9.6763 -58.1534 -14.1043 -2.78451 TIMING: 1586800 CPU: 4782.07, 0.00300514/step Wall: 4782.07, 0.00300514/step, 2.84921 hours remaining, 208.343750 MB of memory in use. ENERGY: 1586800 741.9321 2065.8809 1917.8209 108.7151 -206470.3522 17856.3564 0.0000 0.0000 34314.9328 -149464.7140 299.6808 -183779.6468 -149364.8387 299.3578 0.8093 23.9464 556762.8976 -0.4863 -0.6419 PRESSURE: 1587000 -240.421 35.2569 -101.611 35.2564 0.778736 -86.3694 -101.611 -86.3707 -48.3176 GPRESSURE: 1587000 -144.88 147.873 -108.483 10.8224 6.52738 -234.586 -40.722 16.1421 -41.1293 PRESSAVG: 1587000 -22.3235 51.3766 16.6247 51.3766 -23.7131 12.4501 16.6247 12.4501 51.5248 GPRESSAVG: 1587000 -21.2393 49.7117 16.0892 51.576 -23.2166 10.2652 19.4366 14.1507 49.7543 TIMING: 1587000 CPU: 4782.67, 0.00303452/step Wall: 4782.67, 0.00303452/step, 2.8769 hours remaining, 208.343750 MB of memory in use. ENERGY: 1587000 707.9608 2076.9884 1944.6314 132.0290 -206342.4165 17726.3296 0.0000 0.0000 34349.7110 -149404.7663 299.9846 -183754.4774 -149319.5686 298.9775 -95.9867 -59.8274 557177.5478 1.8294 1.7661 PRESSURE: 1587200 20.3594 22.1926 24.7511 22.1924 242.803 14.5076 24.7509 14.5078 -254.643 GPRESSURE: 1587200 87.7626 6.54768 -14.2759 -1.41215 282.96 32.5744 35.7254 -33.1175 -265.921 PRESSAVG: 1587200 -13.0634 -6.7788 -8.52259 -6.77867 48.7684 -13.6345 -8.52254 -13.6346 -2.19301 GPRESSAVG: 1587200 -13.4565 -5.84653 -8.0985 -7.30824 48.8943 -12.789 -9.97497 -14.247 -2.252 TIMING: 1587200 CPU: 4783.28, 0.0030404/step Wall: 4783.28, 0.0030404/step, 2.8823 hours remaining, 208.343750 MB of memory in use. ENERGY: 1587200 761.2506 2146.2862 1922.6112 129.7011 -206461.7925 17968.0642 0.0000 0.0000 34188.8055 -149345.0736 298.5793 -183533.8791 -149247.8436 299.5034 2.8397 34.9340 557117.8463 11.1707 11.0619 PRESSURE: 1587400 -2.83863 199.446 176.64 199.445 -76.6671 70.8767 176.64 70.8764 39.0079 GPRESSURE: 1587400 21.292 226.998 106.462 154.886 -40.8117 96.6119 168.913 51.5351 78.1895 PRESSAVG: 1587400 21.0749 -22.3028 21.2606 -22.3027 1.3221 2.44071 21.2607 2.4407 11.909 GPRESSAVG: 1587400 20.5874 -22.5311 22.9791 -22.7684 1.77919 2.65902 21.9929 2.63457 11.6628 TIMING: 1587400 CPU: 4783.89, 0.00303285/step Wall: 4783.89, 0.00303285/step, 2.87498 hours remaining, 208.343750 MB of memory in use. ENERGY: 1587400 758.6626 2044.7084 1937.0921 123.6893 -206127.8052 17712.8569 0.0000 0.0000 34102.6008 -149448.1950 297.8265 -183550.7958 -149361.0735 299.9248 -13.4993 19.5566 557006.8235 11.4353 11.3431 PRESSURE: 1587600 52.9846 -55.8768 9.49709 -55.8776 161.56 -39.4749 9.49632 -39.4755 27.5476 GPRESSURE: 1587600 93.9218 -24.0924 -26.4457 -77.3123 168.613 14.9213 5.64249 -12.3386 69.4257 PRESSAVG: 1587600 -10.374 36.2289 21.2561 36.2289 -63.7402 -42.0096 21.256 -42.0095 42.3617 GPRESSAVG: 1587600 -9.51631 36.8555 20.001 35.9235 -65.0573 -41.4515 20.7671 -43.6535 42.7363 TIMING: 1587600 CPU: 4784.49, 0.00302953/step Wall: 4784.49, 0.00302953/step, 2.87165 hours remaining, 208.343750 MB of memory in use. ENERGY: 1587600 732.5583 2124.3254 1935.9686 112.3471 -206505.0748 17912.8441 0.0000 0.0000 34171.3853 -149515.6461 298.4272 -183687.0314 -149426.2937 299.3094 80.6975 110.6536 556460.5516 -10.5842 -10.6124 PRESSURE: 1587800 285.938 -76.2486 105.888 -76.2491 -86.8837 -1.18255 105.889 -1.18273 -10.8621 GPRESSURE: 1587800 265.34 -83.402 97.8572 -45.2025 -16.4341 -72.2588 83.6355 112.029 33.0685 PRESSAVG: 1587800 -5.41693 -12.0778 65.6931 -12.0778 14.0513 14.2029 65.6932 14.2029 2.67864 GPRESSAVG: 1587800 -7.7942 -10.7757 65.3163 -11.9531 15.9837 14.7804 64.4799 15.6939 2.47402 TIMING: 1587800 CPU: 4785.1, 0.00301007/step Wall: 4785.1, 0.00301007/step, 2.85304 hours remaining, 208.343750 MB of memory in use. ENERGY: 1587800 741.3208 2116.0172 1959.2452 127.5598 -206171.2398 17679.1974 0.0000 0.0000 34047.2752 -149500.6241 297.3433 -183547.8993 -149416.2733 299.2570 62.7306 93.9916 556569.0658 3.7710 3.5545 PRESSURE: 1588000 -65.3048 -33.5543 -145.049 -33.5534 181.833 -157.829 -145.049 -157.829 -230.789 GPRESSURE: 1588000 -13.6193 -54.4211 -152.768 16.7386 174.339 -198.066 -108.479 -151.531 -182.343 PRESSAVG: 1588000 40.9546 32.8102 4.58827 32.8102 -19.2876 22.6847 4.58822 22.6848 0.906233 GPRESSAVG: 1588000 41.9927 33.0052 2.47351 32.3637 -20.0057 22.9143 8.36914 22.0896 0.504799 TIMING: 1588000 CPU: 4785.7, 0.0030069/step Wall: 4785.7, 0.0030069/step, 2.84987 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: 1588000 747.7887 2066.2561 1952.0819 119.0425 -206472.0233 17846.2095 0.0000 0.0000 34212.3958 -149528.2488 298.7854 -183740.6446 -149427.3132 298.7580 -38.0871 -7.2079 556264.9925 7.5244 7.4973 PRESSURE: 1588200 207.608 18.1997 70.3768 18.1999 221.62 -3.55901 70.3778 -3.55857 58.0522 GPRESSURE: 1588200 283.628 20.2561 45.1265 -42.0556 204.237 -42.7679 53.1652 73.5955 93.4344 PRESSAVG: 1588200 57.7237 4.38265 12.7013 4.3827 50.9638 23.4729 12.7014 23.4729 -67.9534 GPRESSAVG: 1588200 58.5703 1.72486 15.0844 6.91524 50.3422 23.4826 9.21282 24.3435 -68.5042 TIMING: 1588200 CPU: 4786.3, 0.00302495/step Wall: 4786.3, 0.00302495/step, 2.86681 hours remaining, 208.343750 MB of memory in use. ENERGY: 1588200 754.9081 2153.5487 1921.3151 105.8744 -206551.6509 17864.5524 0.0000 0.0000 34225.5647 -149525.8876 298.9004 -183751.4522 -149426.7101 299.2689 162.4270 193.7665 555241.1782 13.5780 13.4694 LDB: ============= START OF LOAD BALANCING ============== 4789.82 LDB: ============== END OF LOAD BALANCING =============== 4789.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4789.82 LDB: ============= START OF LOAD BALANCING ============== 4790.13 LDB: Largest compute 4800 load 0.031988 is 27.1% of average load 0.117924 LDB: Average compute 0.001750 is 1.5% of average load 0.117924 LDB: TIME 4790.13 LOAD: AVG 0.117924 MAX 0.215984 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.715 MB LDB: TIME 4790.13 LOAD: AVG 0.117924 MAX 0.215984 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.715 MB LDB: TIME 4790.13 LOAD: AVG 0.117924 MAX 0.215984 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4790.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4790.13 PRESSURE: 1588400 88.8106 -118.367 111.985 -118.366 -140.933 31.6786 111.985 31.6762 16.5327 GPRESSURE: 1588400 112.919 -157.594 85.7628 -118.266 -107.162 29.9643 159.131 -7.12125 59.7769 PRESSAVG: 1588400 14.5536 -3.6582 71.331 -3.6582 -4.14636 -13.2425 71.331 -13.2426 -50.765 GPRESSAVG: 1588400 13.4656 -2.80209 70.2077 -4.9778 -2.9048 -14.8008 72.042 -13.7127 -51.0001 TIMING: 1588400 CPU: 4786.92, 0.00307255/step Wall: 4786.92, 0.00307255/step, 2.91175 hours remaining, 208.394531 MB of memory in use. ENERGY: 1588400 780.5111 2120.6087 1947.8845 128.2859 -206366.2222 17777.9604 0.0000 0.0000 34163.1740 -149447.7976 298.3555 -183610.9716 -149354.1549 298.5873 -11.8632 21.8449 555429.3894 -13.4526 -13.4798 PRESSURE: 1588600 99.8633 -181.009 -117.438 -181.01 -122.35 -112.82 -117.439 -112.82 -109.432 GPRESSURE: 1588600 134.979 -184.659 -72.7104 -147.04 -106.993 -96.9919 -142.893 -158.598 -66.9313 PRESSAVG: 1588600 -11.3083 -21.4884 25.8433 -21.4884 17.2098 -13.0787 25.8433 -13.0787 29.1753 GPRESSAVG: 1588600 -10.2266 -20.3859 26.5264 -21.7001 15.5059 -10.8376 26.7873 -15.0014 30.2002 TIMING: 1588600 CPU: 4787.52, 0.00302296/step Wall: 4787.52, 0.00302296/step, 2.86459 hours remaining, 208.597656 MB of memory in use. ENERGY: 1588600 773.2069 2095.3056 1930.8201 122.7797 -206393.5372 17679.4500 0.0000 0.0000 34329.5070 -149462.4679 299.8081 -183791.9749 -149369.8412 299.3256 -43.9728 -12.9817 555317.6745 11.6923 11.8265 PRESSURE: 1588800 -1.69567 -33.0626 59.2449 -33.0638 76.6444 33.1334 59.2464 33.1322 -256.152 GPRESSURE: 1588800 3.44548 -26.1045 -61.6148 12.6235 120.668 -28.3205 49.8085 59.9757 -207.482 PRESSAVG: 1588800 70.8331 31.1113 -18.4318 31.1112 -36.8715 -12.6609 -18.4317 -12.6609 -38.9152 GPRESSAVG: 1588800 68.6513 28.1539 -17.8988 31.9285 -36.0901 -16.1901 -20.4206 -11.8445 -37.7876 TIMING: 1588800 CPU: 4788.12, 0.00298394/step Wall: 4788.12, 0.00298394/step, 2.82745 hours remaining, 208.722656 MB of memory in use. ENERGY: 1588800 759.0899 2118.5433 1921.6433 116.1747 -206414.9634 17892.7166 0.0000 0.0000 34206.2930 -149400.5026 298.7321 -183606.7956 -149311.0578 299.1758 -60.4011 -27.7896 557135.0814 -1.6512 -1.7421 PRESSURE: 1589000 -92.8923 -136.901 -7.68026 -136.9 19.1088 -33.6168 -7.67985 -33.6167 91.53 GPRESSURE: 1589000 -47.1755 -44.7737 -60.2001 -140.057 26.0641 -12.139 27.9085 -30.6764 119.706 PRESSAVG: 1589000 95.8413 34.8296 -37.56 34.8295 -1.61042 -52.9835 -37.56 -52.9836 -46.7919 GPRESSAVG: 1589000 96.4436 35.6956 -38.4169 33.5684 -1.44373 -49.4167 -34.0492 -55.1413 -47.743 TIMING: 1589000 CPU: 4788.71, 0.00297561/step Wall: 4788.71, 0.00297561/step, 2.81939 hours remaining, 208.722656 MB of memory in use. ENERGY: 1589000 722.6648 2097.1975 1936.0065 121.8751 -206123.2349 17753.7085 0.0000 0.0000 34154.7530 -149337.0296 298.2820 -183491.7825 -149247.1058 299.4460 5.9155 32.8647 557968.7696 15.8130 15.7523 PRESSURE: 1589200 -47.1035 -37.8222 -148.205 -37.8209 180.488 -25.2237 -148.205 -25.2241 -31.0116 GPRESSURE: 1589200 5.15677 -39.3532 -167.039 -109.665 219.049 28.3244 -171.516 -77.9327 -28.7805 PRESSAVG: 1589200 45.3282 20.5743 15.4551 20.5744 65.6298 -75.5086 15.4551 -75.5086 -87.4128 GPRESSAVG: 1589200 44.9496 23.0919 16.0769 19.5988 65.6116 -77.6012 12.5407 -74.6827 -86.838 TIMING: 1589200 CPU: 4789.32, 0.00302124/step Wall: 4789.32, 0.00302124/step, 2.86246 hours remaining, 208.722656 MB of memory in use. ENERGY: 1589200 731.8155 2049.6163 1937.0108 110.9830 -206091.7448 17610.3625 0.0000 0.0000 34381.2364 -149270.7204 300.2599 -183651.9567 -149173.2557 299.8572 34.1243 65.1417 557526.2948 7.8484 7.9077 PRESSURE: 1589400 71.4807 -129.541 -68.9724 -129.542 49.92 -87.3768 -68.9737 -87.3762 -241.387 GPRESSURE: 1589400 40.3545 -166.422 43.3866 -156.344 47.4649 -59.5694 -134.85 -62.8346 -110.452 PRESSAVG: 1589400 -11.5839 -86.8024 13.7186 -86.8024 32.7255 25.3797 13.7185 25.3796 -30.717 GPRESSAVG: 1589400 -11.7814 -89.3506 14.6903 -84.2718 33.5093 26.0128 13.4674 26.879 -31.4311 TIMING: 1589400 CPU: 4789.93, 0.00303726/step Wall: 4789.93, 0.00303726/step, 2.87747 hours remaining, 208.722656 MB of memory in use. ENERGY: 1589400 753.0634 2130.1550 1959.2957 109.1306 -206357.5675 17866.0126 0.0000 0.0000 34264.6694 -149275.2407 299.2419 -183539.9100 -149185.0805 299.4078 -39.9955 -7.5441 558656.6967 -3.1918 -3.2344 PRESSURE: 1589600 -55.0071 29.9403 177.868 29.9411 -162.995 -128.767 177.867 -128.766 144.538 GPRESSURE: 1589600 5.49615 86.2222 185.508 23.8697 -98.2396 -175.441 126.052 -61.5894 124.436 PRESSAVG: 1589600 -36.1901 -24.1997 23.78 -24.1996 7.52864 5.84402 23.78 5.84401 -13.561 GPRESSAVG: 1589600 -35.6708 -22.6288 23.1699 -25.5111 7.22629 6.32009 24.2825 5.98512 -13.5482 TIMING: 1589600 CPU: 4790.53, 0.00302894/step Wall: 4790.53, 0.00302894/step, 2.86941 hours remaining, 208.722656 MB of memory in use. ENERGY: 1589600 720.8850 2092.0800 1922.7074 133.9165 -206176.7106 17737.1251 0.0000 0.0000 34150.6006 -149419.3961 298.2457 -183569.9967 -149326.4329 299.0198 -24.4881 10.5641 556633.0202 -14.0742 -13.9976 PRESSURE: 1589800 -216.41 52.7661 -64.6442 52.7659 -173.621 58.0778 -64.6445 58.0764 -253.645 GPRESSURE: 1589800 -194.082 69.5586 -48.3096 59.4067 -154.667 55.1809 7.06353 38.6911 -197.433 PRESSAVG: 1589800 5.34302 16.623 -17.0726 16.623 31.3857 -12.4195 -17.0726 -12.4194 -27.8597 GPRESSAVG: 1589800 5.8479 17.3363 -15.4907 15.1876 31.1377 -13.7991 -15.9383 -12.3071 -27.8598 TIMING: 1589800 CPU: 4791.13, 0.00298904/step Wall: 4791.13, 0.00298904/step, 2.83145 hours remaining, 208.925781 MB of memory in use. ENERGY: 1589800 760.1166 2130.8864 1933.0862 122.1795 -206162.1676 17661.6210 0.0000 0.0000 34156.2335 -149398.0443 298.2949 -183554.2778 -149299.3232 299.0346 -214.5588 -182.0608 559626.1886 2.9563 3.0419 PRESSURE: 1590000 -159.811 10.949 137.495 10.9488 -71.1022 -12.6159 137.494 -12.6148 -181.7 GPRESSURE: 1590000 -127.714 -3.70222 99.0212 51.9753 -49.1555 -36.8358 171.18 -21.3687 -166.974 PRESSAVG: 1590000 -66.882 4.06961 -20.8309 4.06953 51.0362 -5.11024 -20.831 -5.11012 3.7394 GPRESSAVG: 1590000 -66.4011 4.36543 -21.888 4.08023 50.182 -3.5703 -21.1302 -5.81248 3.75835 TIMING: 1590000 CPU: 4791.73, 0.00299801/step Wall: 4791.73, 0.00299801/step, 2.83978 hours remaining, 208.925781 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: 1590000 734.3144 2136.8107 1933.2874 110.8111 -206389.9853 17747.5739 0.0000 0.0000 34206.8370 -149520.3508 298.7368 -183727.1877 -149419.0415 298.5169 -137.5377 -114.6145 558919.5109 -4.0354 -4.1536 PRESSURE: 1590200 -110.855 -120.36 138.064 -120.36 19.0439 63.4886 138.064 63.4877 -250.038 GPRESSURE: 1590200 -91.1908 -121.229 67.5111 -37.5055 47.1389 130.88 135.201 52.0121 -205.502 PRESSAVG: 1590200 -73.5093 -5.16909 61.3842 -5.16899 113.684 27.6369 61.3842 27.6369 -27.1374 GPRESSAVG: 1590200 -73.9853 -6.14166 61.9295 -4.95735 114.176 28.5573 61.4975 28.3244 -27.0437 TIMING: 1590200 CPU: 4792.33, 0.0030029/step Wall: 4792.33, 0.0030029/step, 2.84425 hours remaining, 208.925781 MB of memory in use. ENERGY: 1590200 777.5941 2098.1082 1930.0353 113.4375 -206509.8965 17791.0739 0.0000 0.0000 34163.7317 -149635.9157 298.3604 -183799.6474 -149538.3659 298.4706 -113.9499 -83.1847 558395.5374 4.3456 4.3825 PRESSURE: 1590400 11.9094 14.1309 -118.689 14.1307 94.7813 -132.195 -118.688 -132.193 345.686 GPRESSURE: 1590400 37.1252 57.9236 -147.854 -58.2746 122.493 -72.4044 -190.17 -46.3595 374.611 PRESSAVG: 1590400 -57.5463 12.6726 11.2043 12.6727 14.5295 48.5649 11.2043 48.565 34.2537 GPRESSAVG: 1590400 -58.4186 9.68999 10.5649 15.8405 13.4589 47.4014 9.70921 48.7185 35.7455 TIMING: 1590400 CPU: 4792.94, 0.00303177/step Wall: 4792.94, 0.00303177/step, 2.87142 hours remaining, 208.925781 MB of memory in use. ENERGY: 1590400 733.6655 2082.6793 1908.0991 104.9091 -206682.5083 18067.2360 0.0000 0.0000 34133.7507 -149652.1686 298.0985 -183785.9193 -149554.6394 297.9348 150.7923 178.0764 557680.6265 -2.9210 -3.0714 PRESSURE: 1590600 43.2569 47.9219 57.9238 47.9225 -36.4468 68.7754 57.9236 68.7754 323.504 GPRESSURE: 1590600 93.1201 24.9586 -30.1268 113.697 6.44586 20.7378 113.91 77.0045 321.9 PRESSAVG: 1590600 3.40557 10.6235 -15.7556 10.6236 14.0168 23.256 -15.7557 23.256 8.21232 GPRESSAVG: 1590600 3.67988 14.2103 -16.282 7.43245 14.6823 22.9822 -15.3919 21.6271 6.66056 TIMING: 1590600 CPU: 4793.54, 0.00304187/step Wall: 4793.54, 0.00304187/step, 2.88082 hours remaining, 208.925781 MB of memory in use. ENERGY: 1590600 723.6645 2106.8189 1923.5243 117.2209 -206340.9692 17913.1409 0.0000 0.0000 33991.4944 -149565.1054 296.8562 -183556.5998 -149472.8512 298.5507 110.1047 140.4887 557287.4499 8.5449 8.3409 PRESSURE: 1590800 205.339 112.408 275.169 112.409 121.025 -103.145 275.169 -103.146 62.269 GPRESSURE: 1590800 254.66 154.889 268.375 172.81 116.498 -80.1643 308.101 -116.299 105.652 PRESSAVG: 1590800 -14.0114 -36.9065 -21.7872 -36.9066 -7.77273 23.7126 -21.7871 23.7126 -14.1299 GPRESSAVG: 1590800 -14.9728 -37.8194 -19.8179 -36.2855 -7.14136 24.3021 -22.1095 23.7956 -13.9017 TIMING: 1590800 CPU: 4794.15, 0.00304012/step Wall: 4794.15, 0.00304012/step, 2.879 hours remaining, 208.925781 MB of memory in use. ENERGY: 1590800 722.1311 2120.4180 1926.6293 105.8506 -206594.5469 17980.3973 0.0000 0.0000 34252.2303 -149486.8902 299.1332 -183739.1205 -149389.6857 298.9501 129.5445 158.9370 555190.1683 -11.9714 -12.0053 PRESSURE: 1591000 -48.4429 -48.2912 -80.5605 -48.2903 120.394 14.4904 -80.5598 14.4904 4.36693 GPRESSURE: 1591000 -4.87256 -90.5272 22.0893 0.862713 197.739 7.75442 -78.0874 46.9417 -12.3452 PRESSAVG: 1591000 -31.0692 -16.9538 35.0306 -16.9538 -18.563 -13.5094 35.0306 -13.5094 56.3418 GPRESSAVG: 1591000 -30.8267 -15.6786 33.6159 -16.7199 -18.4153 -14.4128 36.6644 -12.7108 55.0013 TIMING: 1591000 CPU: 4794.76, 0.00305956/step Wall: 4794.76, 0.00305956/step, 2.89723 hours remaining, 208.925781 MB of memory in use. ENERGY: 1591000 729.6123 2086.8557 1937.3485 112.1504 -206639.1409 17907.7705 0.0000 0.0000 34382.8295 -149482.5741 300.2738 -183865.4035 -149391.5847 298.9062 25.4393 60.1738 556224.4169 2.2366 1.9198 PRESSURE: 1591200 269.012 -51.8117 75.2915 -51.8118 -232.893 -33.2873 75.2915 -33.2885 140.809 GPRESSURE: 1591200 290.592 -143.265 74.46 14.9005 -208.167 29.3088 14.6123 -77.0948 182.215 PRESSAVG: 1591200 -0.402186 -24.1355 23.1249 -24.1356 -49.3589 -36.2863 23.125 -36.2863 57.7151 GPRESSAVG: 1591200 -0.0381563 -23.4449 22.6425 -25.5629 -50.3105 -35.0341 23.0206 -36.0358 57.4583 TIMING: 1591200 CPU: 4795.37, 0.00302704/step Wall: 4795.37, 0.00302704/step, 2.86627 hours remaining, 208.925781 MB of memory in use. ENERGY: 1591200 743.3763 2043.3490 1916.6022 109.6250 -206416.8699 17897.0751 0.0000 0.0000 34131.1083 -149575.7339 298.0755 -183706.8423 -149477.2477 298.9271 58.9762 88.2134 556988.4023 2.6513 2.3699 PRESSURE: 1591400 2.20355 141.637 -66.9822 141.637 138.515 -10.7898 -66.9819 -10.7903 -233.162 GPRESSURE: 1591400 -7.98016 117.534 -14.5876 187.482 119.894 16.227 -94.8308 -46.5558 -99.6615 PRESSAVG: 1591400 55.7027 -11.1477 35.021 -11.1477 -40.8521 39.3716 35.021 39.3715 -9.70359 GPRESSAVG: 1591400 55.3212 -12.3653 34.7741 -9.0455 -41.4679 38.442 33.9549 38.2461 -8.56213 TIMING: 1591400 CPU: 4795.97, 0.00302489/step Wall: 4795.97, 0.00302489/step, 2.86406 hours remaining, 208.925781 MB of memory in use. ENERGY: 1591400 711.0789 2100.9709 1935.3368 110.0996 -206361.8220 17913.4464 0.0000 0.0000 34059.4991 -149531.3905 297.4501 -183590.8896 -149433.0390 298.1092 -30.8147 4.0840 558336.6307 1.7157 1.7637 PRESSURE: 1591600 -191.905 23.0617 -3.08993 23.0631 -31.6883 8.85912 -3.08873 8.85971 -14.3327 GPRESSURE: 1591600 -192.536 10.1599 -65.2101 4.31176 -0.51107 30.7621 -0.739398 -8.79293 50.8492 PRESSAVG: 1591600 -5.62518 54.8584 17.2121 54.8583 -41.9541 -6.70448 17.2122 -6.70443 71.6885 GPRESSAVG: 1591600 -6.08532 52.7707 19.9619 56.0551 -42.5597 -7.91508 16.4692 -5.99182 72.8452 TIMING: 1591600 CPU: 4796.59, 0.00305368/step Wall: 4796.59, 0.00305368/step, 2.89116 hours remaining, 208.925781 MB of memory in use. ENERGY: 1591600 751.8172 2052.7004 1917.6088 108.8217 -206210.5821 17797.4344 0.0000 0.0000 34162.2553 -149419.9444 298.3475 -183582.1997 -149323.3153 297.3403 -79.3086 -47.3992 557300.8183 8.0364 8.0667 PRESSURE: 1591800 -227.332 78.4444 -105.882 78.4448 -99.1797 -64.0679 -105.883 -64.0677 -53.8586 GPRESSURE: 1591800 -152.788 -1.10005 -50.1962 67.4281 -58.6266 -49.7373 -123.52 -42.7825 -67.4172 PRESSAVG: 1591800 51.8524 -17.976 -22.539 -17.976 -46.375 21.5772 -22.539 21.5772 4.52423 GPRESSAVG: 1591800 53.8169 -15.5044 -25.6946 -20.2581 -46.1933 22.5943 -23.5371 20.4994 2.03896 TIMING: 1591800 CPU: 4797.19, 0.00303398/step Wall: 4797.19, 0.00303398/step, 2.87233 hours remaining, 208.925781 MB of memory in use. ENERGY: 1591800 753.8288 2141.8620 1898.0270 118.1355 -206171.1916 17601.4067 0.0000 0.0000 34148.5440 -149509.3876 298.2277 -183657.9316 -149413.0404 298.6072 -126.7902 -92.9439 557711.0441 3.3339 3.2208 PRESSURE: 1592000 -43.6747 -314.699 -199.923 -314.699 -49.2258 217.665 -199.922 217.664 56.2747 GPRESSURE: 1592000 -87.1382 -311.485 -226.848 -260.555 51.9826 185.323 -221.19 195.581 100.877 PRESSAVG: 1592000 75.0181 -5.38347 9.78951 -5.38352 -77.6411 -10.0648 9.78956 -10.0648 10.8413 GPRESSAVG: 1592000 73.3136 -7.06644 9.74849 -4.79611 -77.0593 -10.7587 11.7963 -7.97992 11.7546 TIMING: 1592000 CPU: 4797.8, 0.00303241/step Wall: 4797.8, 0.00303241/step, 2.87068 hours remaining, 208.925781 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: 1592000 739.0716 2104.9921 1928.2750 106.5305 -206386.6143 17915.2186 0.0000 0.0000 34073.5393 -149518.9872 297.5727 -183592.5265 -149417.0882 297.9610 -12.2086 21.9070 558470.1289 2.7394 2.6696 PRESSURE: 1592200 -206.462 -87.0014 -35.5305 -87.0022 -284.18 224.4 -35.5301 224.4 137.233 GPRESSURE: 1592200 -127.063 -2.40064 23.8627 -100.901 -247.8 207.096 -116.824 183.12 126.571 PRESSAVG: 1592200 -46.8597 -3.70337 -53.7999 -3.70336 4.22212 5.2487 -53.7999 5.24863 39.8448 GPRESSAVG: 1592200 -47.5676 -1.20949 -51.8032 -5.13989 4.13131 4.21134 -53.2924 5.68814 40.5987 TIMING: 1592200 CPU: 4798.4, 0.00302325/step Wall: 4798.4, 0.00302325/step, 2.86184 hours remaining, 208.925781 MB of memory in use. ENERGY: 1592200 714.2373 2075.5082 1913.0794 104.1730 -206066.2508 17519.4436 0.0000 0.0000 34162.0716 -149577.7375 298.3459 -183739.8091 -149483.8349 298.9751 -117.8032 -82.7641 558169.1202 -0.9309 -0.9459 LDB: ============= START OF LOAD BALANCING ============== 4801.92 LDB: ============== END OF LOAD BALANCING =============== 4801.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4801.92 LDB: ============= START OF LOAD BALANCING ============== 4802.22 LDB: Largest compute 4800 load 0.032596 is 27.7% of average load 0.117869 LDB: Average compute 0.001746 is 1.5% of average load 0.117869 LDB: TIME 4802.23 LOAD: AVG 0.117869 MAX 0.218839 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.652 MB LDB: TIME 4802.23 LOAD: AVG 0.117869 MAX 0.218839 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.855 MB LDB: TIME 4802.23 LOAD: AVG 0.117869 MAX 0.218839 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.855 MB LDB: ============== END OF LOAD BALANCING =============== 4802.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4802.23 PRESSURE: 1592400 -0.6079 -223.693 0.619221 -223.691 40.4109 39.0522 0.617882 39.0524 114.668 GPRESSURE: 1592400 14.7245 -320.061 -18.03 -212.346 57.8844 14.6955 48.5377 -18.3257 178.64 PRESSAVG: 1592400 8.75266 -17.782 -4.33312 -17.7821 -31.6 19.1917 -4.3331 19.1917 25.9361 GPRESSAVG: 1592400 8.81639 -18.3768 -4.05414 -19.0981 -31.4067 18.7942 -5.15239 18.6882 25.6018 TIMING: 1592400 CPU: 4799.02, 0.00307142/step Wall: 4799.02, 0.00307142/step, 2.90727 hours remaining, 208.324219 MB of memory in use. ENERGY: 1592400 773.8792 2066.0775 1915.3961 98.7606 -206662.0430 18009.4117 0.0000 0.0000 34312.7330 -149485.7850 299.6616 -183798.5180 -149387.8605 298.5698 51.4902 83.7496 556150.0982 1.0296 1.0038 PRESSURE: 1592600 77.8615 -125.817 -83.4758 -125.818 -21.6172 -16.9522 -83.4753 -16.9529 -15.5766 GPRESSURE: 1592600 66.3139 -101.542 -0.468659 -193.374 12.1712 17.1164 -132.915 -41.6976 59.1934 PRESSAVG: 1592600 -10.9205 -21.5128 9.46217 -21.5129 16.2118 -54.9254 9.46221 -54.9255 -2.90262 GPRESSAVG: 1592600 -9.46245 -22.5947 6.72824 -19.1454 16.2094 -52.9369 9.87306 -57.7643 -3.66285 TIMING: 1592600 CPU: 4799.62, 0.00303429/step Wall: 4799.62, 0.00303429/step, 2.87195 hours remaining, 208.527344 MB of memory in use. ENERGY: 1592600 743.9983 2064.3444 1931.3819 110.8042 -206525.6906 17889.4815 0.0000 0.0000 34198.3619 -149587.3184 298.6628 -183785.6803 -149490.8992 298.1372 13.5559 45.8928 557227.0645 0.7962 1.0280 PRESSURE: 1592800 93.0996 124.019 -86.4401 124.018 78.805 96.9518 -86.4395 96.9532 -56.6059 GPRESSURE: 1592800 146.429 177.913 -190.332 -38.8718 73.1686 64.8395 -4.92853 81.1105 -12.9644 PRESSAVG: 1592800 27.2376 6.21579 26.9945 6.21571 23.5038 11.0984 26.9944 11.0984 -41.0781 GPRESSAVG: 1592800 26.2531 8.48767 27.2751 3.04129 23.9567 10.2761 26.3564 11.0366 -40.426 TIMING: 1592800 CPU: 4800.23, 0.00302718/step Wall: 4800.23, 0.00302718/step, 2.86506 hours remaining, 208.527344 MB of memory in use. ENERGY: 1592800 714.4908 2042.9175 1930.3847 122.2364 -206566.8902 18045.1842 0.0000 0.0000 34112.8522 -149598.8243 297.9160 -183711.6765 -149502.4649 297.5246 38.4329 68.8777 558163.6759 3.2211 3.2613 PRESSURE: 1593000 -96.5742 -127.621 180.238 -127.621 -172.334 30.8694 180.237 30.8706 -163.997 GPRESSURE: 1593000 -73.5292 -122.607 145.752 -135.932 -126.474 23.0883 204.455 60.1471 -131.232 PRESSAVG: 1593000 67.9251 33.349 -1.66766 33.349 -62.8505 -0.245698 -1.6677 -0.245709 -2.21001 GPRESSAVG: 1593000 68.8491 31.4793 -1.34057 36.3828 -62.5668 1.81929 -1.00528 0.782786 -3.52322 TIMING: 1593000 CPU: 4800.84, 0.00303623/step Wall: 4800.84, 0.00303623/step, 2.87345 hours remaining, 208.527344 MB of memory in use. ENERGY: 1593000 742.5792 2076.9134 1938.2496 124.5933 -206649.5139 17666.4305 0.0000 0.0000 34460.6167 -149640.1311 300.9531 -184100.7479 -149542.6374 298.4533 -144.3020 -110.4116 557437.6218 0.9548 0.9197 PRESSURE: 1593200 -185.989 -26.0534 154.966 -26.0537 41.5276 -94.0407 154.966 -94.0395 -134.147 GPRESSURE: 1593200 -122.04 -41.6436 132.031 -65.0531 32.5643 -104.665 101.897 -96.815 -104.585 PRESSAVG: 1593200 -60.5213 -37.5628 26.6046 -37.5627 42.9959 11.8011 26.6044 11.801 59.3975 GPRESSAVG: 1593200 -59.3724 -37.967 26.4621 -38.4407 41.2742 10.1779 27.6306 11.4407 59.8794 TIMING: 1593200 CPU: 4801.45, 0.00305007/step Wall: 4801.45, 0.00305007/step, 2.88638 hours remaining, 208.527344 MB of memory in use. ENERGY: 1593200 753.4843 2071.5748 1903.1893 106.0703 -206650.7406 17761.4911 0.0000 0.0000 34301.0488 -149753.8821 299.5596 -184054.9309 -149658.8474 298.8101 -92.8696 -64.6870 557327.6173 13.9574 13.9271 PRESSURE: 1593400 -254.842 -52.6332 -88.4014 -52.6344 -224.971 -30.3123 -88.4018 -30.3125 -104.709 GPRESSURE: 1593400 -214.916 -26.647 -46.3594 -58.9732 -166.268 -85.5025 -46.4808 57.8046 -98.8455 PRESSAVG: 1593400 -21.6787 -1.92639 13.4587 -1.92637 -5.46626 -6.12483 13.4586 -6.12501 -5.54024 GPRESSAVG: 1593400 -22.5354 -3.39669 13.3994 0.300418 -3.93687 -6.38423 10.2078 -5.69307 -5.92582 TIMING: 1593400 CPU: 4802.06, 0.0030497/step Wall: 4802.06, 0.0030497/step, 2.88586 hours remaining, 208.527344 MB of memory in use. ENERGY: 1593400 763.2407 2084.9536 1944.5846 114.0301 -206459.5367 17644.7011 0.0000 0.0000 34209.1128 -149698.9138 298.7567 -183908.0266 -149614.7730 298.6578 -194.8408 -160.0096 557804.6123 -10.8951 -10.7994 PRESSURE: 1593600 107.455 127.497 -51.2118 127.499 -57.6688 -116.547 -51.2115 -116.549 249.692 GPRESSURE: 1593600 99.8613 85.4149 32.6002 97.7919 -27.1593 -150.764 -52.0801 -119.846 311.809 PRESSAVG: 1593600 11.561 -12.1049 -18.6158 -12.1049 -15.56 -47.55 -18.6158 -47.55 14.8854 GPRESSAVG: 1593600 11.2202 -12.9959 -18.1736 -12.8934 -16.7493 -46.825 -18.7438 -49.5849 16.2907 TIMING: 1593600 CPU: 4802.66, 0.00302862/step Wall: 4802.66, 0.00302862/step, 2.86575 hours remaining, 208.527344 MB of memory in use. ENERGY: 1593600 724.9333 2052.7562 1946.2250 95.1893 -206665.2950 17966.2196 0.0000 0.0000 34195.9017 -149684.0699 298.6413 -183879.9716 -149586.7283 297.4905 99.8262 128.1705 557962.0692 3.6288 3.5872 PRESSURE: 1593800 -100.384 -136.917 -80.75 -136.916 -305.78 47.2088 -80.7508 47.2086 120.332 GPRESSURE: 1593800 -66.4213 -203.554 -112.731 -97.3307 -227.74 12.6115 -64.2685 66.0843 106.77 PRESSAVG: 1593800 -17.7741 -32.9565 -23.3047 -32.9564 -31.666 -17.1213 -23.3047 -17.1213 19.2832 GPRESSAVG: 1593800 -17.6998 -30.1868 -22.6947 -35.0326 -31.4531 -15.9771 -23.0845 -16.2582 19.0377 TIMING: 1593800 CPU: 4803.27, 0.00303408/step Wall: 4803.27, 0.00303408/step, 2.87075 hours remaining, 208.527344 MB of memory in use. ENERGY: 1593800 709.1674 2083.4547 1945.2365 117.5035 -206383.7038 17768.9870 0.0000 0.0000 34048.8140 -149710.5407 297.3568 -183759.3547 -149612.6474 297.8207 -95.2777 -62.4637 558423.5650 -10.0523 -10.0384 PRESSURE: 1594000 -47.8003 -36.9569 197.292 -36.9571 -116.946 173.878 197.294 173.879 -20.7233 GPRESSURE: 1594000 30.9076 -109.145 245.037 33.0365 -119.32 206.684 192.195 226.062 -3.54195 PRESSAVG: 1594000 52.2793 -8.79441 3.36547 -8.79437 -60.5708 47.1169 3.36545 47.117 23.8451 GPRESSAVG: 1594000 52.8362 -6.72431 3.61424 -10.111 -60.7257 45.7768 4.31337 48.352 22.8393 TIMING: 1594000 CPU: 4803.88, 0.00304133/step Wall: 4803.88, 0.00304133/step, 2.87744 hours remaining, 208.527344 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: 1594000 749.7885 2119.7986 1927.7833 118.2578 -206404.0388 17654.5982 0.0000 0.0000 34201.3011 -149632.5114 298.6885 -183833.8125 -149532.6935 297.6622 -61.8231 -30.6515 557449.4941 5.1846 4.9832 PRESSURE: 1594200 -30.8147 -155.414 -23.3024 -155.414 161.67 81.3627 -23.3025 81.3637 200.84 GPRESSURE: 1594200 0.339157 -161.19 -100.111 -161.973 190.554 38.2438 102.223 103.608 236.284 PRESSAVG: 1594200 32.1613 -5.43721 14.1767 -5.43728 -18.3055 38.2302 14.1767 38.2302 -25.253 GPRESSAVG: 1594200 31.9949 -9.07806 12.0347 -1.19311 -19.8846 38.2717 16.5146 37.7369 -23.7651 TIMING: 1594200 CPU: 4804.48, 0.00303354/step Wall: 4804.48, 0.00303354/step, 2.86989 hours remaining, 208.527344 MB of memory in use. ENERGY: 1594200 745.9483 2077.1944 1941.5969 113.2567 -206432.8875 17943.0276 0.0000 0.0000 34202.9681 -149408.8956 298.7030 -183611.8637 -149311.5573 297.8402 110.5652 142.3922 556551.0724 -3.7991 -3.8849 PRESSURE: 1594400 -121.24 32.8668 -35.9181 32.8675 124.466 -181.798 -35.9181 -181.799 -283.12 GPRESSURE: 1594400 -90.746 -0.415332 24.7986 60.5831 118.633 -105.937 -32.6512 -141.279 -201.293 PRESSAVG: 1594400 -28.901 7.5941 -11.238 7.5941 34.0822 -20.8698 -11.238 -20.87 -13.3658 GPRESSAVG: 1594400 -30.0484 10.224 -9.91065 4.47631 36.2708 -19.7382 -12.4277 -20.4092 -15.1832 TIMING: 1594400 CPU: 4805.09, 0.00303311/step Wall: 4805.09, 0.00303311/step, 2.86932 hours remaining, 208.527344 MB of memory in use. ENERGY: 1594400 740.7596 2075.0192 1946.0262 116.5934 -205971.5584 17632.0502 0.0000 0.0000 34185.2533 -149275.8566 298.5483 -183461.1098 -149172.2884 299.5119 -93.2978 -57.8019 558465.7282 -2.7282 -2.9869 PRESSURE: 1594600 -44.718 154.02 72.4047 154.02 -292.993 -40.3588 72.4052 -40.3588 -209.51 GPRESSURE: 1594600 -81.0168 124.218 72.491 249.984 -230.023 -111.224 2.18077 -41.6511 -144.84 PRESSAVG: 1594600 -3.35881 -9.43338 -23.8106 -9.43342 4.20423 -8.31109 -23.8106 -8.31105 -31.9554 GPRESSAVG: 1594600 -4.0542 -9.35171 -25.4686 -8.14459 3.57189 -9.41944 -24.3933 -8.09508 -30.6978 TIMING: 1594600 CPU: 4805.7, 0.00302098/step Wall: 4805.7, 0.00302098/step, 2.85768 hours remaining, 208.527344 MB of memory in use. ENERGY: 1594600 742.5637 2097.2141 1924.5845 111.8721 -205721.1288 17497.5331 0.0000 0.0000 34068.8732 -149278.4880 297.5319 -183347.3612 -149188.7606 299.1851 -182.4070 -151.9600 559815.7753 -10.3700 -10.3934 PRESSURE: 1594800 163.212 92.7932 218.836 92.7935 33.3066 131.777 218.837 131.776 -105.868 GPRESSURE: 1594800 171.387 119.182 138.873 71.1556 119.335 145.73 320.933 143.179 -106.396 PRESSAVG: 1594800 20.8572 -5.0486 14.4038 -5.04862 35.7983 20.9438 14.4038 20.9436 -58.7359 GPRESSAVG: 1594800 20.3966 -5.39271 13.4017 -4.62932 35.5858 20.9879 15.9234 19.1929 -58.0337 TIMING: 1594800 CPU: 4806.3, 0.00301258/step Wall: 4806.3, 0.00301258/step, 2.84957 hours remaining, 208.527344 MB of memory in use. ENERGY: 1594800 755.8834 2123.4064 1903.2806 116.7912 -206330.8934 18048.9374 0.0000 0.0000 34180.7691 -149201.8253 298.5092 -183382.5944 -149106.9142 298.8987 30.2171 61.4422 558565.7423 -0.6935 -0.6838 PRESSURE: 1595000 -223.785 -111.793 23.2779 -111.794 -44.429 59.4628 23.2791 59.4642 -89.7039 GPRESSURE: 1595000 -180.439 -66.8028 -33.3398 -91.9084 25.7701 90.3085 119.478 47.3386 -87.8413 PRESSAVG: 1595000 60.5084 14.4622 105.068 14.4623 41.2601 64.0731 105.069 64.0732 -87.9304 GPRESSAVG: 1595000 61.5274 16.4331 108.058 14.4793 41.1429 65.8985 101.177 64.224 -88.7821 TIMING: 1595000 CPU: 4806.9, 0.00300374/step Wall: 4806.9, 0.00300374/step, 2.84103 hours remaining, 208.527344 MB of memory in use. ENERGY: 1595000 762.7467 2124.1973 1923.5272 109.9878 -206146.6915 17777.4226 0.0000 0.0000 34184.5824 -149264.2275 298.5425 -183448.8098 -149180.2179 299.0040 -119.3061 -80.8368 558475.4074 4.6127 4.6294 PRESSURE: 1595200 -147.387 -187.254 -164.371 -187.256 -26.0541 -121.116 -164.371 -121.119 46.537 GPRESSURE: 1595200 -99.3394 -163.313 -232.81 -162.114 -25.1271 -80.837 -195.808 -131.405 70.8686 PRESSAVG: 1595200 9.66228 -36.6709 -59.131 -36.6708 50.3313 -22.0597 -59.131 -22.0597 -7.57969 GPRESSAVG: 1595200 9.30148 -38.7598 -62.3486 -37.6893 51.0807 -21.4313 -57.8227 -22.0919 -8.49345 TIMING: 1595200 CPU: 4807.51, 0.00305744/step Wall: 4807.51, 0.00305744/step, 2.89166 hours remaining, 208.527344 MB of memory in use. ENERGY: 1595200 716.6211 2117.8996 1952.7748 117.4773 -206193.5008 17723.8078 0.0000 0.0000 34393.2231 -149171.6971 300.3646 -183564.9203 -149075.2974 299.2547 -42.3012 -17.8660 557716.1547 17.4713 17.2962 PRESSURE: 1595400 116.427 -96.7199 -31.1282 -96.7201 -116.014 -24.0237 -31.1299 -24.0245 -51.7974 GPRESSURE: 1595400 155.07 -195.735 -93.7845 -46.5478 -94.3733 -29.0417 8.29973 -3.10398 -1.33329 PRESSAVG: 1595400 2.89814 -14.1332 -19.3309 -14.1332 27.4934 -26.119 -19.331 -26.119 -10.3232 GPRESSAVG: 1595400 3.12361 -14.1947 -17.9242 -12.2219 26.5284 -27.0332 -17.7345 -25.2263 -10.0872 TIMING: 1595400 CPU: 4808.12, 0.00305909/step Wall: 4808.12, 0.00305909/step, 2.89305 hours remaining, 208.527344 MB of memory in use. ENERGY: 1595400 753.6695 2098.6015 1966.2569 119.6119 -206119.6718 17778.6447 0.0000 0.0000 34216.3479 -149186.5394 298.8199 -183402.8873 -149091.1398 298.8972 -17.1281 19.7880 557737.7500 6.6894 6.5216 PRESSURE: 1595600 51.176 89.9297 -31.9135 89.9301 1.37755 15.3493 -31.9121 15.3502 186.007 GPRESSURE: 1595600 53.5025 71.4008 49.6731 88.4851 11.1744 4.07992 -5.84529 -4.04395 263.145 PRESSAVG: 1595600 36.9032 -28.0538 0.454643 -28.0537 -24.8028 -0.896287 0.454658 -0.89611 18.8595 GPRESSAVG: 1595600 36.2343 -30.2872 0.0270834 -29.7995 -23.5962 -0.137134 -0.806308 -1.07103 18.1074 TIMING: 1595600 CPU: 4808.73, 0.00302763/step Wall: 4808.73, 0.00302763/step, 2.86313 hours remaining, 208.527344 MB of memory in use. ENERGY: 1595600 721.9651 2053.1230 1942.7538 106.9522 -206118.7680 17840.6739 0.0000 0.0000 34243.8111 -149209.4889 299.0597 -183453.3000 -149114.7331 299.3069 79.5202 109.2739 556719.3407 10.3200 10.2485 PRESSURE: 1595800 181.547 -44.7223 68.6876 -44.7218 34.8349 45.4741 68.6887 45.474 90.171 GPRESSURE: 1595800 230.84 -122.179 108.808 49.6745 83.0024 78.2471 76.1202 2.14894 76.1542 PRESSAVG: 1595800 7.71928 29.3035 37.788 29.3034 4.84684 13.8564 37.7879 13.8565 -34.0873 GPRESSAVG: 1595800 6.99926 30.1307 38.4483 31.0902 5.08123 14.9557 38.2066 12.937 -33.471 TIMING: 1595800 CPU: 4809.33, 0.00301598/step Wall: 4809.33, 0.00301598/step, 2.85194 hours remaining, 208.527344 MB of memory in use. ENERGY: 1595800 771.9935 2041.8789 1907.1438 104.4131 -206226.5471 17955.9711 0.0000 0.0000 34397.3609 -149047.7858 300.4007 -183445.1467 -148957.2773 299.1653 102.1843 129.9989 556397.5546 -7.1737 -7.1302 PRESSURE: 1596000 -118.105 2.7812 123.375 2.77889 -56.332 -7.34554 123.375 -7.34586 -242.921 GPRESSURE: 1596000 -39.3327 43.1124 154.207 -65.7157 8.79163 13.0603 43.9039 -60.9102 -289.296 PRESSAVG: 1596000 26.9382 -2.45512 55.8792 -2.45512 -71.1456 -8.44414 55.8791 -8.44415 3.70466 GPRESSAVG: 1596000 27.1679 1.24641 55.3414 -3.87938 -70.6069 -10.1697 55.5214 -8.53231 2.60365 TIMING: 1596000 CPU: 4809.93, 0.00299716/step Wall: 4809.93, 0.00299716/step, 2.83398 hours remaining, 208.527344 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: 1596000 772.1881 2084.7934 1942.3459 120.4618 -205736.9413 17433.6561 0.0000 0.0000 34437.5160 -148945.9800 300.7514 -183383.4960 -148849.0895 299.9883 -139.1193 -106.6122 556615.8012 -13.5009 -13.6118 PRESSURE: 1596200 16.4913 -167.337 138.26 -167.338 123.474 132.252 138.261 132.254 29.5097 GPRESSURE: 1596200 82.4014 -151.253 195.198 -163.518 168.862 125.976 135.043 81.0734 15.1723 PRESSAVG: 1596200 -0.481719 -17.8396 16.0511 -17.8396 31.8867 34.4481 16.0511 34.4482 -28.1297 GPRESSAVG: 1596200 0.368835 -20.989 15.0347 -17.942 29.5753 34.1137 16.0504 35.1668 -26.9327 TIMING: 1596200 CPU: 4810.53, 0.00300446/step Wall: 4810.53, 0.00300446/step, 2.84071 hours remaining, 208.527344 MB of memory in use. ENERGY: 1596200 742.5772 2025.5142 1920.0656 100.3073 -205995.3350 17820.2569 0.0000 0.0000 34372.0326 -149014.5811 300.1795 -183386.6137 -148919.6267 300.6654 56.4915 88.8120 557086.1465 1.0918 1.0038 LDB: ============= START OF LOAD BALANCING ============== 4814.05 LDB: ============== END OF LOAD BALANCING =============== 4814.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4814.05 LDB: ============= START OF LOAD BALANCING ============== 4814.35 LDB: Largest compute 4800 load 0.031805 is 27.0% of average load 0.117872 LDB: Average compute 0.001745 is 1.5% of average load 0.117872 LDB: TIME 4814.36 LOAD: AVG 0.117872 MAX 0.214651 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.074 MB LDB: TIME 4814.36 LOAD: AVG 0.117872 MAX 0.214651 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.074 MB LDB: TIME 4814.36 LOAD: AVG 0.117872 MAX 0.214651 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.074 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4814.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4814.36 PRESSURE: 1596400 -50.8488 -100.22 -100.225 -100.22 -89.1971 -10.21 -100.224 -10.2117 97.8954 GPRESSURE: 1596400 -7.10593 -193.966 -134.09 -97.1336 -57.5453 70.3819 -72.018 -76.4798 130.245 PRESSAVG: 1596400 39.9434 -27.9955 6.16094 -27.9954 25.0823 -29.8476 6.16089 -29.8476 -45.452 GPRESSAVG: 1596400 40.1555 -27.1362 8.82755 -29.58 26.7337 -30.0182 4.15537 -29.2842 -47.403 TIMING: 1596400 CPU: 4811.15, 0.00307831/step Wall: 4811.15, 0.0030783/step, 2.91037 hours remaining, 210.128906 MB of memory in use. ENERGY: 1596400 781.2348 2082.9936 1924.9779 113.2991 -205715.1061 17654.5125 0.0000 0.0000 34195.5436 -148962.5445 298.6382 -183158.0882 -148860.1570 300.4568 -14.0502 21.8645 557677.2878 6.5246 6.4954 PRESSURE: 1596600 185.479 30.5932 -125.287 30.5922 27.1618 34.4836 -125.287 34.4839 -63.5867 GPRESSURE: 1596600 234.124 91.5568 -145.187 43.0535 62.8427 -0.898164 -82.1118 68.9699 -49.9093 PRESSAVG: 1596600 27.8131 -48.7363 -58.3736 -48.7363 5.35324 -6.43872 -58.3736 -6.43873 -44.8286 GPRESSAVG: 1596600 27.0999 -49.5702 -60.0552 -44.664 4.84128 -6.42969 -56.3363 -8.19644 -43.2844 TIMING: 1596600 CPU: 4811.75, 0.00303551/step Wall: 4811.75, 0.00303551/step, 2.86974 hours remaining, 210.199219 MB of memory in use. ENERGY: 1596600 758.4364 2094.3172 1942.2473 104.0142 -206190.9115 17992.2884 0.0000 0.0000 34198.8720 -149100.7361 298.6673 -183299.6081 -149003.3436 299.7867 49.6845 82.3525 558763.5095 -3.8874 -3.7811 PRESSURE: 1596800 297.593 -87.1322 6.47075 -87.1319 -101.644 144.026 6.47017 144.024 79.9592 GPRESSURE: 1596800 360.493 -47.9076 38.5655 -118.759 -119.909 127.095 -134.078 139.562 129.094 PRESSAVG: 1596800 21.2456 -4.63974 50.5111 -4.63979 -48.6782 26.0887 50.5112 26.0888 25.9826 GPRESSAVG: 1596800 22.2162 -2.00077 51.4148 -5.5506 -48.8672 26.445 48.3833 25.9162 25.2578 TIMING: 1596800 CPU: 4812.35, 0.00298207/step Wall: 4812.35, 0.00298207/step, 2.81905 hours remaining, 210.199219 MB of memory in use. ENERGY: 1596800 738.5827 2098.4578 1894.3435 98.6323 -206248.2626 17974.4089 0.0000 0.0000 34402.2711 -149041.5662 300.4436 -183443.8373 -148951.1827 299.2986 91.9695 123.2257 558269.9545 -0.4834 -0.4644 PRESSURE: 1597000 -321.723 106.927 158.582 106.929 -388.366 -60.4597 158.581 -60.4615 53.8347 GPRESSURE: 1597000 -290.917 202.942 168.437 99.2002 -361.776 -36.1884 170.996 -76.4748 87.1326 PRESSAVG: 1597000 -40.9381 21.9954 55.3657 21.9954 -60.4687 36.8157 55.3657 36.8155 81.5727 GPRESSAVG: 1597000 -42.7085 20.0887 54.0757 21.4926 -60.3944 37.0363 57.5024 37.1367 83.2787 TIMING: 1597000 CPU: 4812.95, 0.00302268/step Wall: 4812.95, 0.00302268/step, 2.85727 hours remaining, 210.199219 MB of memory in use. ENERGY: 1597000 732.9235 2095.0356 1931.3482 109.1946 -205531.7875 17448.5049 0.0000 0.0000 34332.8686 -148881.9121 299.8375 -183214.7807 -148791.1632 299.7145 -218.7516 -188.5202 560017.1209 -6.6114 -6.6081 PRESSURE: 1597200 -155.217 -133.364 -50.1985 -133.365 -64.393 -39.5321 -50.1994 -39.532 -10.4077 GPRESSURE: 1597200 -77.2308 -99.6506 -101.176 -181.729 -39.0634 -52.8813 -64.9872 3.86466 -14.8153 PRESSAVG: 1597200 1.599 -27.5843 -45.1883 -27.5842 -58.0393 19.8661 -45.1884 19.8663 -17.8567 GPRESSAVG: 1597200 3.8075 -25.9412 -45.5586 -28.4775 -59.4953 19.4501 -46.8653 20.3986 -18.2521 TIMING: 1597200 CPU: 4813.56, 0.00302694/step Wall: 4813.56, 0.00302694/step, 2.86113 hours remaining, 210.199219 MB of memory in use. ENERGY: 1597200 766.4374 2054.3757 1927.0046 108.0426 -206074.6038 17936.8224 0.0000 0.0000 34163.4496 -149118.4714 298.3579 -183281.9211 -149021.9824 299.2025 -76.6725 -43.7032 559033.5907 -24.7657 -24.6466 PRESSURE: 1597400 286.15 -105.882 -363.129 -105.881 79.9854 125.716 -363.13 125.717 86.5897 GPRESSURE: 1597400 292.218 -102.135 -419.752 -145.365 53.9293 203.401 -326.111 114.364 199.861 PRESSAVG: 1597400 37.6975 -58.1978 -84.3716 -58.1978 -52.0925 28.2143 -84.3716 28.2144 -18.0665 GPRESSAVG: 1597400 36.3958 -60.3415 -82.4531 -56.0367 -50.9985 27.4974 -85.2021 29.5558 -17.9884 TIMING: 1597400 CPU: 4814.16, 0.00301492/step Wall: 4814.16, 0.00301493/step, 2.84961 hours remaining, 210.199219 MB of memory in use. ENERGY: 1597400 711.8595 2080.4856 1914.6181 116.8960 -206205.8609 17928.4944 0.0000 0.0000 34394.1726 -149059.3346 300.3729 -183453.5072 -148965.7270 299.9755 150.9085 182.0029 558874.4465 -10.8205 -10.8637 PRESSURE: 1597600 -32.7397 -133.315 92.2928 -133.315 -61.4031 85.6796 92.2935 85.6792 46.9248 GPRESSURE: 1597600 3.55547 -113.829 165.311 -176.378 -30.2154 25.9443 34.4277 72.0436 85.0617 PRESSAVG: 1597600 -0.609548 -20.0111 -56.0745 -20.0111 -26.2714 28.6238 -56.0746 28.6236 55.0928 GPRESSAVG: 1597600 -0.440439 -18.5301 -54.1624 -20.9678 -25.396 29.9316 -57.8568 25.8279 54.1795 TIMING: 1597600 CPU: 4814.76, 0.00299644/step Wall: 4814.76, 0.00299644/step, 2.83197 hours remaining, 210.199219 MB of memory in use. ENERGY: 1597600 761.2185 2037.9775 1923.7370 122.7073 -205975.2945 17895.9369 0.0000 0.0000 34008.9749 -149224.7423 297.0088 -183233.7173 -149134.4296 299.2018 -15.7393 19.4673 558716.7523 9.4040 9.4477 PRESSURE: 1597800 131.679 -40.0933 -33.0075 -40.0933 -43.1198 -30.0716 -33.0074 -30.0722 15.1993 GPRESSURE: 1597800 124.411 -120.141 -99.5418 14.489 28.1193 5.05048 8.25825 -76.3669 41.0775 PRESSAVG: 1597800 9.41712 -69.1075 -21.2309 -69.1074 -49.2109 -30.0413 -21.2309 -30.0412 13.5912 GPRESSAVG: 1597800 8.97635 -69.364 -20.3218 -69.9535 -48.8699 -31.4584 -19.0018 -28.0085 13.8983 TIMING: 1597800 CPU: 4815.37, 0.00304454/step Wall: 4815.37, 0.00304454/step, 2.87726 hours remaining, 210.199219 MB of memory in use. ENERGY: 1597800 747.2617 2063.4293 1933.2105 120.3415 -206383.8415 18030.5262 0.0000 0.0000 34260.8663 -149228.2060 299.2087 -183489.0723 -149131.2841 298.9009 34.5861 64.5359 559220.9913 -8.7342 -8.6651 PRESSURE: 1598000 142.183 -55.8721 39.2304 -55.874 208.269 227.895 39.2295 227.895 22.3533 GPRESSURE: 1598000 165.866 -124.233 38.2725 -1.73467 227.861 212.368 25.5155 231.681 79.6839 PRESSAVG: 1598000 3.83655 12.8346 21.8261 12.8345 -55.6666 35.5589 21.8261 35.5588 63.1201 GPRESSAVG: 1598000 4.37997 11.4068 19.4542 14.0321 -55.2257 36.3748 21.2031 33.899 62.3717 TIMING: 1598000 CPU: 4815.98, 0.00305669/step Wall: 4815.98, 0.00305669/step, 2.88858 hours remaining, 210.199219 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: 1598000 750.2172 2072.1864 1939.9884 104.2660 -206418.0279 18129.7448 0.0000 0.0000 34168.1574 -149253.4678 298.3990 -183421.6252 -149161.4270 299.0775 124.2684 157.8035 558140.7333 3.7634 3.8420 PRESSURE: 1598200 -163.175 -76.0242 8.37169 -76.0236 -195.233 181.399 8.37295 181.4 176.989 GPRESSURE: 1598200 -86.2558 -16.9673 41.1377 -22.1231 -190.49 295.905 8.69521 172.996 191.395 PRESSAVG: 1598200 12.545 5.86199 -6.30359 5.86197 -48.5309 36.9228 -6.30364 36.9228 79.0066 GPRESSAVG: 1598200 12.8959 5.09344 -4.55376 5.6297 -49.9488 36.9995 -5.69678 37.4586 79.4373 TIMING: 1598200 CPU: 4816.59, 0.00302629/step Wall: 4816.59, 0.00302629/step, 2.85967 hours remaining, 210.199219 MB of memory in use. ENERGY: 1598200 762.9109 2048.9244 1919.1052 110.9363 -206440.7901 18029.8598 0.0000 0.0000 34186.7180 -149382.3355 298.5611 -183569.0535 -149294.3380 298.6962 -60.4731 -28.4505 558768.8161 14.3402 14.1281 PRESSURE: 1598400 -529.457 -28.0516 -47.8957 -28.0522 -197.969 48.5642 -47.896 48.5643 -12.1362 GPRESSURE: 1598400 -475.091 -164.277 -33.583 88.3472 -136.759 -49.1682 -19.9774 138.943 -27.359 PRESSAVG: 1598400 -82.0693 -8.21483 -50.5806 -8.21487 16.7896 25.7464 -50.5807 25.7463 85.0487 GPRESSAVG: 1598400 -81.4902 -6.08038 -53.3717 -8.49388 15.3757 26.2428 -50.9889 24.5838 85.7558 TIMING: 1598400 CPU: 4817.19, 0.00300264/step Wall: 4817.19, 0.00300264/step, 2.83717 hours remaining, 210.199219 MB of memory in use. ENERGY: 1598400 722.3989 2073.1451 1930.1625 101.7084 -206045.3946 17587.7661 0.0000 0.0000 34121.6042 -149508.6093 297.9925 -183630.2135 -149413.1145 298.4062 -246.5208 -213.0696 559194.2476 6.5897 6.5471 PRESSURE: 1598600 -36.0862 197.328 -140.625 197.329 47.0627 -147.307 -140.626 -147.308 -147.953 GPRESSURE: 1598600 14.328 151.399 -120.437 256.276 80.5038 -118.401 -70.5722 -145.026 -143.967 PRESSAVG: 1598600 -43.1956 70.5118 -26.9805 70.5117 -0.964821 -10.8518 -26.9805 -10.8519 34.5344 GPRESSAVG: 1598600 -43.4621 70.2556 -25.7918 69.5535 -0.0154881 -10.8472 -26.0775 -10.1647 33.633 TIMING: 1598600 CPU: 4817.79, 0.00301166/step Wall: 4817.79, 0.00301166/step, 2.84552 hours remaining, 210.199219 MB of memory in use. ENERGY: 1598600 710.5175 2095.1917 1932.3325 114.3827 -206253.5278 17830.9200 0.0000 0.0000 34137.0946 -149433.0888 298.1277 -183570.1834 -149331.9832 298.2972 -45.6588 -16.3784 557158.3607 -3.2087 -3.2815 PRESSURE: 1598800 -80.3284 80.3132 167.626 80.3128 -165.346 40.2239 167.626 40.2242 -8.44193 GPRESSURE: 1598800 -47.8685 -55.261 111.388 134.796 -137.734 13.2858 144.504 125.211 23.1559 PRESSAVG: 1598800 31.4693 6.82026 -32.1264 6.8202 -49.1466 50.6573 -32.1264 50.6574 34.4175 GPRESSAVG: 1598800 32.5024 5.55713 -31.4561 7.32128 -49.9953 49.1007 -32.6385 51.6464 34.1086 TIMING: 1598800 CPU: 4818.39, 0.00300565/step Wall: 4818.39, 0.00300565/step, 2.83967 hours remaining, 210.199219 MB of memory in use. ENERGY: 1598800 729.5751 2091.0518 1909.0652 113.4594 -206616.1391 17835.9275 0.0000 0.0000 34575.3930 -149361.6672 301.9555 -183937.0602 -149258.6007 299.4476 -84.7054 -54.1490 557295.7219 5.5801 5.5386 PRESSURE: 1599000 51.6808 130.823 93.4336 130.823 -162.616 -1.49627 93.4321 -1.49615 -125.847 GPRESSURE: 1599000 122.974 73.8717 70.5987 55.9193 -132.997 -21.9519 99.302 -22.8762 -129.072 PRESSAVG: 1599000 77.0333 -43.7805 26.0332 -43.7805 -33.006 59.0542 26.0332 59.0542 -5.7192 GPRESSAVG: 1599000 76.5825 -41.0503 23.4477 -44.8557 -32.4195 59.7821 27.3275 59.0079 -6.0144 TIMING: 1599000 CPU: 4819, 0.00302253/step Wall: 4819, 0.00302253/step, 2.85545 hours remaining, 210.199219 MB of memory in use. ENERGY: 1599000 738.6843 2119.8872 1908.9757 98.0498 -206247.5073 17805.7922 0.0000 0.0000 34301.1040 -149275.0143 299.5601 -183576.1182 -149176.4480 299.8303 -78.9272 -46.3647 558411.0403 12.7694 12.7162 PRESSURE: 1599200 83.8684 19.3524 61.4027 19.3521 -230.767 20.8055 61.4024 20.8068 11.7618 GPRESSURE: 1599200 115.098 -77.1059 109.342 127.05 -189.338 2.07974 15.4044 15.1428 33.2187 PRESSAVG: 1599200 20.6764 13.4936 -17.2309 13.4937 -23.467 8.2243 -17.2309 8.22426 1.64598 GPRESSAVG: 1599200 20.268 10.5477 -16.0492 14.6983 -23.3054 8.47589 -19.1838 8.5617 1.83608 TIMING: 1599200 CPU: 4819.61, 0.00305333/step Wall: 4819.61, 0.00305333/step, 2.88438 hours remaining, 210.199219 MB of memory in use. ENERGY: 1599200 751.1556 2086.4752 1908.6054 106.8808 -205750.4770 17460.5087 0.0000 0.0000 34193.4766 -149243.3747 298.6201 -183436.8513 -149148.6481 299.1611 -45.0457 -13.6738 558842.8656 -0.3815 -0.4004 PRESSURE: 1599400 -18.4531 32.1081 -48.2781 32.1082 -247.98 115.256 -48.2774 115.257 21.4742 GPRESSURE: 1599400 44.8286 41.7851 -14.5403 -4.18815 -259.283 165.955 -86.752 112.55 54.712 PRESSAVG: 1599400 55.3087 3.69583 -7.39609 3.69584 -10.9854 58.9818 -7.39621 58.9819 -39.6868 GPRESSAVG: 1599400 56.1226 4.41775 -8.1953 3.2301 -11.0582 57.223 -5.62748 57.1174 -39.778 TIMING: 1599400 CPU: 4820.21, 0.00302736/step Wall: 4820.21, 0.00302736/step, 2.85968 hours remaining, 210.199219 MB of memory in use. ENERGY: 1599400 754.6729 2072.5087 1936.8826 129.2073 -206036.5755 17549.5553 0.0000 0.0000 34319.5270 -149274.2217 299.7210 -183593.7487 -149191.2200 298.7872 -81.6528 -53.2476 556806.6477 1.5455 1.7621 PRESSURE: 1599600 -70.4207 -132.152 -60.6076 -132.151 -10.2469 131.183 -60.6066 131.182 -55.7079 GPRESSURE: 1599600 -74.0135 -61.8209 -48.2899 -203.285 57.5844 111.209 -100.889 131.889 -34.1969 PRESSAVG: 1599600 41.1157 -11.0484 -47.2786 -11.0484 -89.0256 56.4352 -47.2787 56.4353 22.3722 GPRESSAVG: 1599600 40.1441 -12.4686 -45.1931 -10.2129 -88.9723 58.5419 -49.6919 57.1667 23.2545 TIMING: 1599600 CPU: 4820.82, 0.00301615/step Wall: 4820.82, 0.00301615/step, 2.84892 hours remaining, 210.199219 MB of memory in use. ENERGY: 1599600 762.5269 2123.2862 1913.3981 115.0912 -206033.3774 17761.7264 0.0000 0.0000 34056.3529 -149300.9957 297.4226 -183357.3486 -149202.7710 299.1833 -45.4585 -16.8753 556955.8157 -8.5126 -8.5245 PRESSURE: 1599800 -137.231 6.88891 -194.721 6.8894 -51.0742 12.3669 -194.721 12.3664 -283.513 GPRESSURE: 1599800 -98.994 -47.8325 -149.719 39.7776 -7.17639 31.6699 -279.525 35.0765 -271.963 PRESSAVG: 1599800 -53.7341 -25.7329 -27.2579 -25.7328 88.1651 10.7026 -27.2579 10.7026 -32.8648 GPRESSAVG: 1599800 -53.5834 -24.9548 -28.575 -25.0713 88.2249 10.3514 -24.8589 10.6883 -33.0845 TIMING: 1599800 CPU: 4821.42, 0.00301023/step Wall: 4821.42, 0.00301023/step, 2.84316 hours remaining, 210.199219 MB of memory in use. ENERGY: 1599800 758.9387 2073.5976 1926.5106 110.1172 -206115.4522 17556.0075 0.0000 0.0000 34386.3820 -149303.8986 300.3048 -183690.2806 -149202.5443 298.8744 -157.2729 -126.0444 557137.7508 0.5220 0.5190 PRESSURE: 1600000 -167.29 -110.539 -226.614 -110.539 -5.41999 -70.8613 -226.614 -70.8605 -39.1787 GPRESSURE: 1600000 -132.503 -114.757 -262.52 -189.805 -5.954 -103.871 -199.704 45.4938 10.0688 PRESSAVG: 1600000 -34.9429 -21.2585 -0.305547 -21.2586 41.7327 8.28778 -0.305571 8.28786 -34.7568 GPRESSAVG: 1600000 -35.4867 -20.3667 -0.364158 -21.5806 42.0912 7.31854 -0.783664 11.3289 -34.2962 TIMING: 1600000 CPU: 4822.03, 0.00303871/step Wall: 4822.03, 0.00303871/step, 2.86989 hours remaining, 210.199219 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: 1600000 742.3486 2089.6549 1949.0010 119.0472 -206411.2899 17836.7700 0.0000 0.0000 34209.7017 -149464.7664 298.7618 -183674.4681 -149371.5434 299.0909 -70.6295 -42.7962 558268.5347 -9.3223 -9.2306 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1600000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 1600000 WRITING COORDINATES TO RESTART FILE AT STEP 1600000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1600200 -19.1757 29.0357 -55.4926 29.036 -225.03 -31.8674 -55.4927 -31.8665 39.7821 GPRESSURE: 1600200 -64.4714 35.5838 -111.731 84.5084 -172.604 -4.99975 -62.3985 -34.7331 114.177 PRESSAVG: 1600200 -19.7585 -58.2423 -32.4008 -58.2422 28.6421 2.02584 -32.4009 2.02566 -5.54293 GPRESSAVG: 1600200 -19.2186 -58.2384 -33.8743 -59.7398 28.3022 0.679526 -32.6167 -0.227284 -5.73649 TIMING: 1600200 CPU: 4822.65, 0.00313645/step Wall: 4822.65, 0.00313645/step, 2.96203 hours remaining, 210.199219 MB of memory in use. ENERGY: 1600200 741.3902 2115.6356 1965.4746 109.6523 -206220.7780 17669.0469 0.0000 0.0000 34179.4267 -149440.1516 298.4974 -183619.5783 -149338.6567 298.8541 -68.1411 -40.9662 557329.9828 1.1136 1.1157 LDB: ============= START OF LOAD BALANCING ============== 4826.18 LDB: ============== END OF LOAD BALANCING =============== 4826.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4826.18 LDB: ============= START OF LOAD BALANCING ============== 4826.48 LDB: Largest compute 4800 load 0.032302 is 27.4% of average load 0.117892 LDB: Average compute 0.001736 is 1.5% of average load 0.117892 LDB: TIME 4826.49 LOAD: AVG 0.117892 MAX 0.220575 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.988 MB LDB: TIME 4826.49 LOAD: AVG 0.117892 MAX 0.220575 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.988 MB LDB: TIME 4826.49 LOAD: AVG 0.117892 MAX 0.220575 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.988 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4826.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4826.49 PRESSURE: 1600400 -47.4412 -82.953 -87.9747 -82.9519 -278.012 -64.9581 -87.9756 -64.9594 -112.439 GPRESSURE: 1600400 -23.9248 -124.328 -34.197 -68.3918 -210.023 -103.26 -82.4526 -68.7609 -109.12 PRESSAVG: 1600400 -14.7643 1.49585 18.6336 1.49581 50.0864 -23.9233 18.6336 -23.9233 21.2899 GPRESSAVG: 1600400 -14.9038 2.25232 21.2885 2.27862 50.5753 -24.0457 18.1837 -23.0045 21.3645 TIMING: 1600400 CPU: 4823.28, 0.00312168/step Wall: 4823.28, 0.00312168/step, 2.94791 hours remaining, 207.246094 MB of memory in use. ENERGY: 1600400 753.0328 2119.7214 1930.1360 114.3969 -206305.6954 17672.5727 0.0000 0.0000 34289.9361 -149425.8996 299.4625 -183715.8357 -149323.6958 299.2717 -145.9641 -114.3559 558755.0216 18.8706 19.0120 PRESSURE: 1600600 -229.142 -36.7119 27.3306 -36.7119 111.133 32.3346 27.3302 32.3369 -13.8153 GPRESSURE: 1600600 -202.415 -65.6047 29.4155 -33.2492 173.444 -45.7903 46.9729 90.2546 -0.998813 PRESSAVG: 1600600 -64.4974 6.12193 53.2643 6.12189 42.7181 34.7348 53.2643 34.7349 -10.1057 GPRESSAVG: 1600600 -64.4673 4.91633 51.5535 8.11322 42.9476 36.5502 52.7526 33.8782 -10.3753 TIMING: 1600600 CPU: 4823.89, 0.00304863/step Wall: 4823.89, 0.00304863/step, 2.87875 hours remaining, 207.503906 MB of memory in use. ENERGY: 1600600 759.9668 2077.7103 1943.0485 117.7107 -206440.1942 18009.0472 0.0000 0.0000 34263.3102 -149269.4004 299.2300 -183532.7106 -149169.8683 298.4517 -43.9414 -9.9899 558242.9825 -10.6283 -10.6317 PRESSURE: 1600800 -119.359 -116.269 152.966 -116.269 -71.9846 -81.187 152.967 -81.1875 -115.055 GPRESSURE: 1600800 -62.7773 -200.938 115.023 -20.0586 -72.4379 -55.4131 108.724 -48.8802 -77.8934 PRESSAVG: 1600800 -45.7403 2.93673 38.6694 2.93676 7.28801 2.47521 38.6693 2.47513 -37.4386 GPRESSAVG: 1600800 -45.8979 4.63147 36.7809 2.41356 6.71341 2.94438 38.9084 1.40048 -36.6951 TIMING: 1600800 CPU: 4824.49, 0.00302402/step Wall: 4824.49, 0.00302402/step, 2.85534 hours remaining, 207.503906 MB of memory in use. ENERGY: 1600800 748.3293 2115.8678 1913.8229 107.3757 -205668.5613 17612.1595 0.0000 0.0000 33953.8046 -149217.2015 296.5270 -183171.0061 -149119.7766 298.7659 -102.1329 -71.0362 559730.3227 -25.2970 -25.2932 PRESSURE: 1601000 -95.6324 -181.281 -99.152 -181.281 -177.143 -120.34 -99.1517 -120.34 123.864 GPRESSURE: 1601000 -22.3107 -182.885 -109.991 -263.968 -114.466 -114.025 -85.6267 -121.934 89.8886 PRESSAVG: 1601000 55.0225 11.7935 5.9943 11.7935 -4.14732 -23.4877 5.99433 -23.4877 -52.6991 GPRESSAVG: 1601000 54.8646 11.3621 8.04131 9.81327 -2.485 -24.3475 3.83437 -22.7686 -54.3811 TIMING: 1601000 CPU: 4825.1, 0.00302223/step Wall: 4825.1, 0.00302223/step, 2.85349 hours remaining, 207.503906 MB of memory in use. ENERGY: 1601000 723.7759 2092.0312 1925.9864 116.0217 -206045.4643 17642.4550 0.0000 0.0000 34367.6080 -149177.5861 300.1409 -183545.1941 -149074.6830 299.1628 -49.6372 -15.6294 558361.4884 -0.6080 -0.6672 PRESSURE: 1601200 -170.982 78.0254 -89.0528 78.0254 -96.9874 -158.504 -89.0532 -158.502 -195.927 GPRESSURE: 1601200 -197.633 79.9172 -95.81 122.208 31.283 -123.317 -86.9549 -147.128 -186.286 PRESSAVG: 1601200 53.9258 -11.8188 15.4425 -11.8189 -7.25158 21.8798 15.4426 21.8799 -66.3877 GPRESSAVG: 1601200 54.5596 -12.6142 15.5988 -12.0577 -8.32703 22.3913 18.3595 22.49 -65.6307 TIMING: 1601200 CPU: 4825.69, 0.00298785/step Wall: 4825.69, 0.00298785/step, 2.82086 hours remaining, 207.503906 MB of memory in use. ENERGY: 1601200 729.8331 2124.0698 1920.8211 111.7876 -206094.6953 17713.6935 0.0000 0.0000 34134.2692 -149360.2210 298.1031 -183494.4902 -149263.4934 299.1241 -154.6321 -117.5453 557777.7417 -6.5712 -6.4660 PRESSURE: 1601400 -46.4936 13.3934 -75.7095 13.394 -42.6529 -73.9407 -75.7108 -73.9418 15.7908 GPRESSURE: 1601400 -61.3764 -11.0783 -55.3614 -16.4247 8.28829 37.8517 -142.816 -82.9698 81.1509 PRESSAVG: 1601400 -12.0394 48.0334 -53.6471 48.0335 -20.4865 32.7515 -53.6471 32.7514 34.0215 GPRESSAVG: 1601400 -11.6153 47.7054 -52.3666 48.8919 -21.3161 31.9487 -55.6819 33.0393 34.1022 TIMING: 1601400 CPU: 4826.3, 0.0030349/step Wall: 4826.3, 0.0030349/step, 2.86511 hours remaining, 207.503906 MB of memory in use. ENERGY: 1601400 723.8532 2097.9345 1917.6801 110.2225 -206461.9111 17932.4692 0.0000 0.0000 34253.6544 -149426.0971 299.1457 -183679.7516 -149334.6577 298.7950 -24.4519 9.3543 557651.5688 0.4985 0.3902 PRESSURE: 1601600 -391.519 7.71477 -110.199 7.7148 -247.61 -104.683 -110.201 -104.684 -157.275 GPRESSURE: 1601600 -308.275 85.9282 -100.225 -2.36232 -224.571 -41.5501 -96.1998 -110.62 -153.578 PRESSAVG: 1601600 -42.164 -43.4357 -29.3866 -43.4357 67.727 -10.397 -29.3866 -10.3969 -55.6649 GPRESSAVG: 1601600 -43.6515 -42.8064 -29.939 -43.2412 67.3267 -10.0258 -28.9023 -11.805 -53.9367 TIMING: 1601600 CPU: 4826.91, 0.00304243/step Wall: 4826.91, 0.00304243/step, 2.87205 hours remaining, 207.503906 MB of memory in use. ENERGY: 1601600 742.7954 2042.0649 1924.3079 101.0495 -206002.8249 17355.5308 0.0000 0.0000 34291.3675 -149545.7089 299.4750 -183837.0764 -149445.0592 298.5724 -265.4680 -228.8078 557202.0298 -10.0340 -10.0871 PRESSURE: 1601800 -22.7676 -14.201 -29.9579 -14.2014 21.1651 -61.3637 -29.958 -61.3619 13.2022 GPRESSURE: 1601800 -3.42295 -53.7024 -108.867 101.687 103.374 6.24794 -61.3765 -65.1135 -1.64786 PRESSAVG: 1601800 -25.9284 25.9657 -14.7075 25.9657 55.1799 21.6635 -14.7075 21.6634 -59.3606 GPRESSAVG: 1601800 -25.8447 23.7291 -14.6539 28.059 55.9828 23.0303 -14.5307 21.3763 -59.7792 TIMING: 1601800 CPU: 4827.51, 0.00302738/step Wall: 4827.51, 0.00302738/step, 2.85768 hours remaining, 207.562500 MB of memory in use. ENERGY: 1601800 725.7261 2065.9986 1901.3969 105.5894 -206662.6358 17868.3051 0.0000 0.0000 34334.3122 -149661.3074 299.8501 -183995.6197 -149570.8216 298.2112 3.8666 32.7677 557061.1406 -10.0364 -9.8804 PRESSURE: 1602000 -165.06 -73.3332 -85.54 -73.3342 178.536 68.9874 -85.5418 68.9857 -164.259 GPRESSURE: 1602000 -146.36 -72.6766 -113.106 5.79761 153.845 56.9108 -73.3817 71.3389 -63.4405 PRESSAVG: 1602000 -47.9264 -66.0781 -15.3997 -66.0781 23.4664 -27.1112 -15.3997 -27.1113 20.1896 GPRESSAVG: 1602000 -46.4182 -64.6796 -15.5199 -67.1714 22.3714 -29.8149 -17.7272 -25.586 19.2867 TIMING: 1602000 CPU: 4828.12, 0.00304972/step Wall: 4828.12, 0.00304972/step, 2.8786 hours remaining, 207.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1602000 690.3522 2054.9064 1943.6319 118.6701 -206394.6604 17785.9125 0.0000 0.0000 34099.8169 -149701.3704 297.8022 -183801.1873 -149609.9674 298.4102 -50.2611 -18.6520 557265.8560 -1.4235 -1.5867 PRESSURE: 1602200 42.532 -154.852 -7.38861 -154.852 88.2177 -25.0459 -7.38919 -25.0456 -34.1827 GPRESSURE: 1602200 52.6222 -155.734 -56.0342 -102.143 128.706 -83.1097 44.5916 -74.0907 -10.9135 PRESSAVG: 1602200 -8.0372 -31.1935 -1.86171 -31.1935 27.6504 52.7888 -1.86174 52.7888 -14.9011 GPRESSAVG: 1602200 -8.90708 -28.9654 -2.20916 -31.9438 28.5194 52.246 -0.496864 52.5702 -15.8654 TIMING: 1602200 CPU: 4828.73, 0.00303494/step Wall: 4828.73, 0.00303494/step, 2.86448 hours remaining, 207.562500 MB of memory in use. ENERGY: 1602200 735.4132 2088.5265 1905.2925 105.4643 -206360.1142 17769.7732 0.0000 0.0000 34190.5487 -149565.0958 298.5946 -183755.6446 -149461.2269 298.4054 32.1890 56.8047 557096.4306 1.5707 1.2490 PRESSURE: 1602400 -131.217 -115.369 111.698 -115.37 138.05 131.956 111.697 131.955 41.0846 GPRESSURE: 1602400 -95.5264 -72.3543 75.7547 -187.411 151.443 83.9329 69.7392 217.299 92.832 PRESSAVG: 1602400 -9.62532 -26.6322 -13.0194 -26.632 -19.4957 17.031 -13.0193 17.031 26.9881 GPRESSAVG: 1602400 -9.3822 -29.775 -13.622 -26.7309 -19.7171 17.6983 -11.0384 16.6116 26.9919 TIMING: 1602400 CPU: 4829.34, 0.00304899/step Wall: 4829.34, 0.00304899/step, 2.87757 hours remaining, 207.574219 MB of memory in use. ENERGY: 1602400 723.8987 2040.8488 1938.5923 108.3679 -206437.4392 18125.0831 0.0000 0.0000 33990.3679 -149510.2804 296.8463 -183500.6483 -149413.5869 298.0444 15.9726 49.5829 557195.0587 -0.7110 -0.7025 PRESSURE: 1602600 -6.30086 62.7043 -91.1225 62.7041 -129.798 124.558 -91.1223 124.556 -104.504 GPRESSURE: 1602600 -45.1457 -40.8861 -15.8573 78.7211 -80.8887 65.9574 -162.351 135.245 -12.5963 PRESSAVG: 1602600 -67.2135 -53.541 -16.8008 -53.541 48.7122 30.6512 -16.8007 30.6512 27.6188 GPRESSAVG: 1602600 -68.0053 -53.3664 -16.1765 -52.895 48.3973 31.292 -17.0046 31.5248 28.8586 TIMING: 1602600 CPU: 4829.96, 0.00306955/step Wall: 4829.96, 0.00306955/step, 2.89681 hours remaining, 207.574219 MB of memory in use. ENERGY: 1602600 704.1482 2131.1204 1908.9837 113.6521 -205928.5626 17651.9928 0.0000 0.0000 34094.6965 -149323.9689 297.7575 -183418.6653 -149229.4835 298.4808 -80.2010 -46.2102 558988.3031 3.0392 3.0836 PRESSURE: 1602800 -142.914 -138.52 -62.479 -138.52 -60.2511 72.8441 -62.4804 72.8439 134.732 GPRESSURE: 1602800 -45.7867 -206.634 -81.1402 -97.1771 -67.9478 -13.015 -50.4308 73.5023 141.94 PRESSAVG: 1602800 -50.0057 -16.5542 -39.5656 -16.5542 9.36795 0.696776 -39.5657 0.696748 67.4445 GPRESSAVG: 1602800 -50.0234 -17.2567 -40.8087 -16.7561 9.47777 0.376829 -39.6742 -0.672984 67.0257 TIMING: 1602800 CPU: 4830.56, 0.00304532/step Wall: 4830.56, 0.00304532/step, 2.87377 hours remaining, 207.574219 MB of memory in use. ENERGY: 1602800 719.7324 2060.5894 1913.2452 112.6827 -206294.3523 17916.8835 0.0000 0.0000 34221.7427 -149349.4764 298.8670 -183571.2191 -149255.0663 299.0165 -22.8111 9.4017 557497.3125 8.9356 8.8267 PRESSURE: 1603000 47.6459 87.8054 -121.112 87.8075 -248.968 -6.99592 -121.112 -6.9952 -88.6768 GPRESSURE: 1603000 52.5314 97.7808 -103.294 93.3852 -232.37 11.2062 -81.6075 -89.8269 -28.0876 PRESSAVG: 1603000 0.161056 4.17709 -23.724 4.1772 1.63727 19.0609 -23.7239 19.061 9.78743 GPRESSAVG: 1603000 0.747661 4.91434 -22.4144 4.73779 0.236214 20.8808 -24.8815 16.6752 9.86786 TIMING: 1603000 CPU: 4831.17, 0.00304584/step Wall: 4831.17, 0.00304584/step, 2.87409 hours remaining, 207.574219 MB of memory in use. ENERGY: 1603000 755.5906 2148.5706 1885.9298 119.7731 -205887.8516 17627.4263 0.0000 0.0000 34021.9439 -149328.6174 297.1221 -183350.5612 -149231.3269 298.8834 -96.6663 -69.3087 558204.9437 3.8619 3.6172 PRESSURE: 1603200 -94.8404 126.479 -71.9969 126.478 -95.9173 -5.60675 -71.9978 -5.6045 -147.898 GPRESSURE: 1603200 -60.3972 148.771 57.6644 203.231 -63.705 -18.4663 -109.476 -17.7632 -109.772 PRESSAVG: 1603200 20.0522 13.9047 -24.9849 13.9047 -15.6687 -48.2628 -24.9847 -48.2629 24.9726 GPRESSAVG: 1603200 18.4268 16.8005 -24.1326 11.4275 -14.0783 -49.9864 -25.4392 -46.0106 25.1953 TIMING: 1603200 CPU: 4831.78, 0.0030388/step Wall: 4831.78, 0.0030388/step, 2.86728 hours remaining, 207.574219 MB of memory in use. ENERGY: 1603200 757.6817 2068.7836 1938.5236 113.1550 -205986.6546 17653.0648 0.0000 0.0000 34173.8738 -149281.5722 298.4489 -183455.4459 -149187.8426 299.2795 -112.8852 -77.9582 557883.5406 9.7854 9.8479 PRESSURE: 1603400 2.53019 -4.31403 55.202 -4.3138 -90.1309 -58.4984 55.2023 -58.499 -17.0327 GPRESSURE: 1603400 41.566 24.8407 16.1628 -73.5064 -76.6965 -71.1252 177.355 -27.4351 36.8295 PRESSAVG: 1603400 -16.5571 29.8494 -5.47928 29.8494 -44.6553 -42.1025 -5.47925 -42.1025 24.441 GPRESSAVG: 1603400 -15.6753 28.1399 -6.00078 28.1346 -45.0138 -40.3285 -4.83687 -44.0451 24.0057 TIMING: 1603400 CPU: 4832.39, 0.00304008/step Wall: 4832.39, 0.00304008/step, 2.86832 hours remaining, 207.574219 MB of memory in use. ENERGY: 1603400 729.8079 2024.5566 1935.5789 113.1836 -206086.5040 17798.4059 0.0000 0.0000 34337.5297 -149147.4415 299.8782 -183484.9712 -149045.5827 299.6314 -34.8778 0.5664 557867.5725 -12.2572 -12.2278 PRESSURE: 1603600 233.854 67.7596 79.7326 67.7609 197.461 -162.981 79.7321 -162.982 145.755 GPRESSURE: 1603600 282.442 65.7763 4.69802 28.2687 230.174 -155.669 106.326 -161.979 162.417 PRESSAVG: 1603600 -27.7514 -40.5844 19.7815 -40.5844 1.68049 -34.3176 19.7815 -34.3175 -22.3287 GPRESSAVG: 1603600 -27.6103 -41.8417 18.8159 -37.3459 0.320377 -34.2186 20.8619 -30.2459 -20.7927 TIMING: 1603600 CPU: 4833, 0.00305161/step Wall: 4833, 0.00305161/step, 2.87903 hours remaining, 207.574219 MB of memory in use. ENERGY: 1603600 779.2892 2075.0542 1935.2254 118.0880 -206336.4948 18013.4137 0.0000 0.0000 34168.6886 -149246.7358 298.4037 -183415.4244 -149152.2364 299.3371 192.3568 225.0112 556256.3224 -16.1332 -16.0275 PRESSURE: 1603800 361.222 -133.729 97.0733 -133.729 19.4577 114.481 97.0734 114.481 -51.1359 GPRESSURE: 1603800 319.284 -84.1361 122.278 -179.292 96.5692 160.874 74.2536 94.9359 -1.4385 PRESSAVG: 1603800 6.47038 -28.4388 -3.04182 -28.4389 35.6031 16.0971 -3.04186 16.0972 -55.9358 GPRESSAVG: 1603800 6.82978 -28.1078 -2.25875 -27.2529 37.1322 16.9097 -4.10828 13.7903 -57.4666 TIMING: 1603800 CPU: 4833.61, 0.00305388/step Wall: 4833.61, 0.00305388/step, 2.88099 hours remaining, 207.574219 MB of memory in use. ENERGY: 1603800 689.9600 2085.3987 1934.4681 123.1739 -206352.7760 17966.9634 0.0000 0.0000 34346.5858 -149206.2260 299.9573 -183552.8118 -149112.5973 299.1229 109.8479 138.1383 558014.0644 -4.6208 -4.5015 PRESSURE: 1604000 -22.7093 -0.595647 55.3648 -0.596528 77.1122 143.56 55.364 143.558 84.0403 GPRESSURE: 1604000 -13.6583 -68.2737 27.5011 13.9403 144.827 63.5512 64.6259 121.098 101.007 PRESSAVG: 1604000 23.9786 -23.5568 52.2368 -23.5568 72.2579 -2.73131 52.2367 -2.73135 -62.2159 GPRESSAVG: 1604000 23.8984 -23.975 52.6811 -23.111 72.5965 -2.97269 50.9694 -2.86962 -62.5454 TIMING: 1604000 CPU: 4834.22, 0.00304027/step Wall: 4834.22, 0.00304027/step, 2.86798 hours remaining, 207.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1604000 722.4543 2111.1426 1920.5373 111.5892 -206181.2811 17852.9671 0.0000 0.0000 34172.5244 -149290.0662 298.4372 -183462.5906 -149193.1939 299.1744 46.1477 77.3918 556611.4848 11.3402 11.3165 PRESSURE: 1604200 -28.8004 56.9404 -70.465 56.9411 -52.169 -46.1592 -70.4649 -46.1587 -201.814 GPRESSURE: 1604200 22.444 82.1467 -60.6551 86.0862 -51.331 -47.9093 -20.0275 -56.5826 -159.084 PRESSAVG: 1604200 17.8484 19.0324 -59.4099 19.0324 19.3464 39.1045 -59.41 39.1045 -3.97783 GPRESSAVG: 1604200 17.1204 19.3435 -60.6261 16.9668 17.8688 37.6168 -57.6613 37.7556 -1.89875 TIMING: 1604200 CPU: 4834.82, 0.00301757/step Wall: 4834.82, 0.00301757/step, 2.84641 hours remaining, 207.574219 MB of memory in use. ENERGY: 1604200 752.1067 2101.6919 1935.2059 107.6270 -206192.9966 17609.8085 0.0000 0.0000 34464.6099 -149221.9467 300.9880 -183686.5566 -149123.8512 299.8013 -94.2612 -62.6570 557845.5531 11.0723 11.0302 LDB: ============= START OF LOAD BALANCING ============== 4838.34 LDB: ============== END OF LOAD BALANCING =============== 4838.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4838.34 LDB: ============= START OF LOAD BALANCING ============== 4838.64 LDB: Largest compute 4800 load 0.031134 is 26.4% of average load 0.117919 LDB: Average compute 0.001739 is 1.5% of average load 0.117919 LDB: TIME 4838.65 LOAD: AVG 0.117919 MAX 0.220495 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.504 MB LDB: TIME 4838.65 LOAD: AVG 0.117919 MAX 0.220495 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.504 MB LDB: TIME 4838.65 LOAD: AVG 0.117919 MAX 0.220495 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.504 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4838.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4838.65 PRESSURE: 1604400 112.47 -46.2486 87.0479 -46.248 -158.942 -17.7765 87.0488 -17.7745 -82.4577 GPRESSURE: 1604400 172.609 23.3203 120.616 -118.708 -197.512 -28.4062 61.4446 -40.1936 -18.1539 PRESSAVG: 1604400 113.404 25.7548 30.5151 25.7548 -27.4773 16.6109 30.515 16.611 -86.216 GPRESSAVG: 1604400 113.925 25.584 28.2384 25.9381 -27.0055 15.918 30.3377 18.405 -87.2321 TIMING: 1604400 CPU: 4835.44, 0.00307386/step Wall: 4835.44, 0.00307386/step, 2.89934 hours remaining, 209.296875 MB of memory in use. ENERGY: 1604400 790.5467 2059.6824 1932.1488 103.8362 -206376.7156 17949.1857 0.0000 0.0000 34301.4232 -149239.8926 299.5629 -183541.3158 -149144.6852 299.6619 -42.9765 -14.3521 557979.8677 -0.0964 -0.1043 PRESSURE: 1604600 -319.178 170.613 -85.9788 170.612 18.6581 -63.6821 -85.98 -63.6819 63.4184 GPRESSURE: 1604600 -177.943 139.935 -102.796 132.927 -35.3823 -131.986 -72.6525 -83.2145 68.132 PRESSAVG: 1604600 28.1998 -1.3072 37.1839 -1.30725 1.09159 6.6252 37.1839 6.6253 22.7351 GPRESSAVG: 1604600 28.8324 -1.78465 36.6933 -0.115859 0.899673 7.53537 37.3644 6.93758 22.6272 TIMING: 1604600 CPU: 4836.05, 0.00306654/step Wall: 4836.05, 0.00306654/step, 2.89226 hours remaining, 209.500000 MB of memory in use. ENERGY: 1604600 767.7623 2043.8595 1908.1065 89.9860 -206601.9269 17917.6979 0.0000 0.0000 34413.6526 -149460.8620 300.5430 -183874.5146 -149362.6937 299.3169 -79.0337 -48.3977 557639.9064 17.3422 17.4531 PRESSURE: 1604800 -283.791 -73.8121 -62.8397 -73.8126 35.7809 -127.673 -62.8405 -127.674 -327.239 GPRESSURE: 1604800 -288.634 -129.375 -21.9629 -70.5378 126.07 -106.35 -111.84 -160.646 -318.218 PRESSAVG: 1604800 -79.1367 -20.6919 -16.775 -20.692 8.00493 -49.8424 -16.7751 -49.8424 51.1723 GPRESSAVG: 1604800 -80.0334 -19.7109 -15.6419 -23.2779 9.42566 -50.207 -13.8808 -49.2445 50.8874 TIMING: 1604800 CPU: 4836.66, 0.00302556/step Wall: 4836.66, 0.00302556/step, 2.85344 hours remaining, 209.500000 MB of memory in use. ENERGY: 1604800 707.9253 2058.9502 1902.6358 114.1880 -206162.1721 17563.1298 0.0000 0.0000 34400.6989 -149414.6441 300.4299 -183815.3430 -149318.6659 298.8297 -191.7497 -160.2606 557900.2508 -6.6532 -6.5734 PRESSURE: 1605000 -190.17 23.3291 -113.135 23.329 8.07775 17.2698 -113.135 17.2707 279.523 GPRESSURE: 1605000 -82.613 -7.31317 -54.8332 -11.7939 -22.8981 -25.2965 -155.745 64.7406 292.179 PRESSAVG: 1605000 44.646 5.1555 14.2492 5.15549 -18.1458 4.90074 14.2492 4.90067 -15.3724 GPRESSAVG: 1605000 45.453 4.41075 14.7828 6.30212 -19.4826 6.92241 10.6415 4.13577 -15.1649 TIMING: 1605000 CPU: 4837.27, 0.00305896/step Wall: 4837.27, 0.00305896/step, 2.88477 hours remaining, 209.500000 MB of memory in use. ENERGY: 1605000 742.0535 2092.3634 1909.1255 111.6611 -206455.8480 17848.2526 0.0000 0.0000 34101.8243 -149650.5676 297.8197 -183752.3919 -149549.1819 298.7758 32.4767 62.2225 555701.1082 3.7093 3.6018 PRESSURE: 1605200 226.599 112.358 155.326 112.357 -70.0235 -21.9492 155.326 -21.9504 -26.4337 GPRESSURE: 1605200 205.297 71.0664 122.621 112.695 17.7985 -0.628087 238.146 -51.2665 5.53679 PRESSAVG: 1605200 33.6973 -1.36642 12.9816 -1.36645 -85.9746 9.97462 12.9815 9.97461 6.14455 GPRESSAVG: 1605200 32.1285 -0.457646 11.3708 0.299565 -85.4528 9.38381 15.3667 10.0704 6.54456 TIMING: 1605200 CPU: 4837.88, 0.00305975/step Wall: 4837.88, 0.00305975/step, 2.88534 hours remaining, 209.500000 MB of memory in use. ENERGY: 1605200 733.4592 2092.2109 1927.1538 107.4766 -206531.4398 17812.7224 0.0000 0.0000 34282.3971 -149576.0197 299.3967 -183858.4168 -149481.7740 298.0387 43.3806 76.2109 554336.4654 -15.3776 -15.5932 PRESSURE: 1605400 -121.019 101.16 -56.4668 101.159 -23.8913 30.2364 -56.466 30.237 -298.441 GPRESSURE: 1605400 -78.7637 115.111 -174.376 -32.0192 34.9601 100.851 -66.1835 10.2717 -295.458 PRESSAVG: 1605400 32.0934 -1.15997 29.3904 -1.15989 17.8691 15.4501 29.3903 15.4501 -43.1027 GPRESSAVG: 1605400 31.8017 -0.610539 28.8626 -0.473487 18.0725 16.0011 30.0057 16.0471 -43.026 TIMING: 1605400 CPU: 4838.5, 0.00310089/step Wall: 4838.5, 0.00310089/step, 2.92396 hours remaining, 209.500000 MB of memory in use. ENERGY: 1605400 758.7914 2094.4649 1928.0323 100.8873 -206499.0439 17877.5367 0.0000 0.0000 34008.5870 -149730.7443 297.0054 -183739.3313 -149633.7687 297.8226 -147.7840 -113.0872 557352.8960 2.2866 2.2827 PRESSURE: 1605600 -231.764 -17.3383 227.963 -17.3384 90.8423 -290.461 227.963 -290.462 -289.438 GPRESSURE: 1605600 -172.145 -7.94935 218.018 -90.0345 79.1777 -252.195 213.061 -306.576 -248.759 PRESSAVG: 1605600 -3.77944 -45.4842 71.6403 -45.4842 21.5099 36.9024 71.6404 36.9023 -5.42395 GPRESSAVG: 1605600 -1.7268 -46.4096 72.9725 -47.3155 21.353 34.4609 71.4778 37.1562 -7.37986 TIMING: 1605600 CPU: 4839.11, 0.0030318/step Wall: 4839.11, 0.0030318/step, 2.85865 hours remaining, 209.500000 MB of memory in use. ENERGY: 1605600 771.6893 2034.8485 1925.0951 108.0117 -206413.2302 17681.9912 0.0000 0.0000 34119.4618 -149772.1326 297.9737 -183891.5944 -149676.1511 297.6978 -143.4532 -113.9087 556866.7102 4.1022 4.0821 PRESSURE: 1605800 166.083 -137.333 -64.6145 -137.334 -76.9498 79.3719 -64.6147 79.3726 161.368 GPRESSURE: 1605800 228.287 -105.297 -35.6523 -154.998 -90.7575 91.4617 -25.2345 50.9125 209.446 PRESSAVG: 1605800 -0.868989 -49.3349 44.8928 -49.335 13.7654 -49.2337 44.8928 -49.2336 3.12447 GPRESSAVG: 1605800 -0.621352 -47.7103 44.4253 -49.6575 11.8341 -47.2511 42.2977 -50.5936 4.37761 TIMING: 1605800 CPU: 4839.7, 0.00299653/step Wall: 4839.7, 0.00299653/step, 2.82523 hours remaining, 209.500000 MB of memory in use. ENERGY: 1605800 731.9794 2048.7145 1934.7188 114.0310 -206459.7806 17987.2837 0.0000 0.0000 34148.2564 -149494.7969 298.2252 -183643.0533 -149403.4497 297.6816 83.5002 115.6585 557300.4949 5.3403 5.1968 PRESSURE: 1606000 274.81 -61.8732 7.10554 -61.8737 133.482 30.3664 7.10586 30.3655 68.6007 GPRESSURE: 1606000 349.486 -134.295 -8.18581 -1.19348 192.448 -2.99633 101.201 9.40261 36.0665 PRESSAVG: 1606000 44.5548 -7.05488 -43.2508 -7.05485 -50.509 23.07 -43.2508 23.07 11.7802 GPRESSAVG: 1606000 44.4197 -8.62306 -42.8774 -4.52036 -49.6713 22.1672 -41.142 23.7235 11.6117 TIMING: 1606000 CPU: 4840.31, 0.00302918/step Wall: 4840.31, 0.00302918/step, 2.85585 hours remaining, 209.500000 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: 1606000 757.5271 2111.1666 1931.3606 123.6111 -206903.0674 18212.5315 0.0000 0.0000 34137.2987 -149629.5717 298.1295 -183766.8704 -149542.1960 298.8111 158.9641 192.6666 556430.8484 1.9420 2.1200 PRESSURE: 1606200 175.83 -23.3846 189.091 -23.3843 -81.9901 26.9237 189.09 26.9239 290.293 GPRESSURE: 1606200 277.91 -22.0483 173.874 -46.5592 -27.5638 -124.781 234.615 122.937 236.801 PRESSAVG: 1606200 73.4765 -37.1059 -12.259 -37.1059 -50.0497 28.7316 -12.2589 28.7317 10.664 GPRESSAVG: 1606200 73.1916 -36.3417 -11.0232 -37.6018 -49.6045 29.507 -15.1824 27.8378 10.8054 TIMING: 1606200 CPU: 4840.91, 0.0030212/step Wall: 4840.91, 0.0030212/step, 2.84816 hours remaining, 209.500000 MB of memory in use. ENERGY: 1606200 726.4689 2048.9687 1946.9317 123.9887 -206384.5178 17876.9666 0.0000 0.0000 34256.3220 -149404.8712 299.1690 -183661.1932 -149313.6388 299.0525 128.0442 162.3822 555592.5249 11.3636 11.4642 PRESSURE: 1606400 63.7146 -25.7046 -34.9861 -25.7048 17.6965 -113.175 -34.9876 -113.175 -211.634 GPRESSURE: 1606400 62.5531 -42.5934 4.19661 67.1651 85.588 -148.766 -55.0329 -100.875 -183.562 PRESSAVG: 1606400 -10.0502 -48.1237 0.672374 -48.1238 -66.5747 9.53852 0.672323 9.53859 75.7598 GPRESSAVG: 1606400 -10.4774 -47.1021 0.128193 -49.4308 -64.8733 8.71742 2.42188 9.38 74.8615 TIMING: 1606400 CPU: 4841.52, 0.00302888/step Wall: 4841.52, 0.00302888/step, 2.85522 hours remaining, 209.500000 MB of memory in use. ENERGY: 1606400 756.2154 2100.4333 1946.1596 109.5763 -206337.5739 17829.8449 0.0000 0.0000 34202.8844 -149392.4600 298.7023 -183595.3445 -149295.6214 299.0225 -43.4076 -11.8069 556151.5177 -0.2884 -0.1631 PRESSURE: 1606600 98.1151 28.6585 -4.645 28.6568 -471.541 92.8645 -4.64574 92.8655 155.664 GPRESSURE: 1606600 184.964 -13.0793 56.6316 -27.731 -464.152 57.6796 63.7382 61.0392 148.27 PRESSAVG: 1606600 69.7978 -15.487 -13.3422 -15.487 -59.7371 13.8654 -13.3422 13.8654 20.9123 GPRESSAVG: 1606600 70.7511 -15.9433 -14.7694 -16.133 -61.985 12.8005 -11.8199 15.8849 22.3214 TIMING: 1606600 CPU: 4842.12, 0.00301657/step Wall: 4842.12, 0.00301657/step, 2.84345 hours remaining, 209.500000 MB of memory in use. ENERGY: 1606600 748.6193 2067.9765 1937.5274 116.3837 -206242.5609 17718.6718 0.0000 0.0000 34325.0607 -149328.3214 299.7693 -183653.3821 -149233.1884 299.2789 -72.5872 -43.6394 557925.5643 10.3243 10.3625 PRESSURE: 1606800 -160.403 -40.7892 -9.07 -40.7908 95.8099 147.272 -9.06952 147.272 137.629 GPRESSURE: 1606800 -132.545 -46.5983 -17.9864 -42.9379 128.021 81.3488 -2.41182 163.11 175.821 PRESSAVG: 1606800 45.4737 -5.85664 9.02157 -5.85668 6.26425 -23.3666 9.02152 -23.3666 -2.71023 GPRESSAVG: 1606800 43.8235 -6.16721 11.5549 -4.24329 8.86228 -21.3245 3.46173 -25.3389 -3.31814 TIMING: 1606800 CPU: 4842.73, 0.00300747/step Wall: 4842.73, 0.00300747/step, 2.83471 hours remaining, 209.500000 MB of memory in use. ENERGY: 1606800 779.6982 2085.2266 1933.5286 99.8964 -206054.8449 17816.0419 0.0000 0.0000 34124.4557 -149215.9973 298.0174 -183340.4530 -149129.0297 299.1347 24.3455 57.0989 556978.4406 16.3426 16.4559 PRESSURE: 1607000 -172.033 88.5365 -93.3782 88.537 -23.674 -208.993 -93.3778 -208.994 -32.7838 GPRESSURE: 1607000 -146.067 31.7974 -48.3528 134.103 -9.49149 -249.102 -102.466 -137.353 30.2217 PRESSAVG: 1607000 -40.5547 -11.7782 24.6201 -11.7782 -89.5452 -9.82465 24.6201 -9.8246 128.453 GPRESSAVG: 1607000 -41.2387 -12.9859 24.2404 -10.5343 -90.0483 -12.697 27.2992 -8.56549 128.908 TIMING: 1607000 CPU: 4843.34, 0.00306585/step Wall: 4843.34, 0.00306585/step, 2.88956 hours remaining, 209.500000 MB of memory in use. ENERGY: 1607000 780.8812 2039.4248 1913.9516 110.1996 -206237.9841 17853.6074 0.0000 0.0000 34349.4226 -149190.4970 299.9821 -183539.9195 -149095.7928 299.3636 -76.1636 -41.7789 557848.0612 -0.5491 -0.7930 PRESSURE: 1607200 -54.8639 -55.9661 -12.2353 -55.9659 -101.413 -45.8229 -12.2363 -45.8242 31.5334 GPRESSURE: 1607200 1.78041 -30.8777 36.6408 -39.0308 -69.325 -5.03106 -10.5957 -7.66945 42.4522 PRESSAVG: 1607200 -35.2968 19.3839 -8.64725 19.384 -7.84847 61.5316 -8.64721 61.5315 46.4585 GPRESSAVG: 1607200 -34.4609 20.0319 -8.72901 17.9672 -8.88207 61.212 -8.61839 61.739 46.583 TIMING: 1607200 CPU: 4843.95, 0.0030433/step Wall: 4843.95, 0.0030433/step, 2.86814 hours remaining, 209.500000 MB of memory in use. ENERGY: 1607200 754.1073 2102.5186 1923.0934 114.0748 -205942.9044 17621.8376 0.0000 0.0000 34166.1150 -149261.1576 298.3812 -183427.2727 -149173.6384 299.1915 -41.5811 -8.3641 556516.7902 1.1044 1.0800 PRESSURE: 1607400 73.3668 174.269 29.6082 174.269 -204.239 66.3651 29.6094 66.3658 -68.1463 GPRESSURE: 1607400 145.126 73.9263 46.5039 221.328 -174.942 53.2416 31.8127 136.765 -58.1667 PRESSAVG: 1607400 12.2404 -59.2446 14.6595 -59.2446 6.16949 79.592 14.6594 79.5918 -12.0364 GPRESSAVG: 1607400 12.1467 -59.5363 12.6088 -59.1354 7.31594 81.5129 16.8469 78.0104 -13.3132 TIMING: 1607400 CPU: 4844.56, 0.00305854/step Wall: 4844.56, 0.00305854/step, 2.88234 hours remaining, 209.500000 MB of memory in use. ENERGY: 1607400 764.3696 2097.9241 1915.8439 102.9518 -205892.1311 17527.3735 0.0000 0.0000 34164.2428 -149319.4253 298.3648 -183483.6681 -149235.0138 299.3934 -66.3394 -29.3277 556119.2797 2.1245 2.0498 PRESSURE: 1607600 109.305 -241.229 40.1591 -241.227 -99.9302 -118.207 40.158 -118.204 74.3084 GPRESSURE: 1607600 137.533 -99.6274 79.1954 -225.427 -65.2982 -105.588 -37.4412 -145.989 110.013 PRESSAVG: 1607600 25.3011 -33.7491 -43.1652 -33.7491 2.83332 78.7184 -43.1651 78.7184 -50.8162 GPRESSAVG: 1607600 25.8228 -32.8531 -42.8644 -33.2591 1.94639 78.7682 -43.831 79.193 -50.4171 TIMING: 1607600 CPU: 4845.17, 0.00304076/step Wall: 4845.17, 0.00304076/step, 2.86541 hours remaining, 209.500000 MB of memory in use. ENERGY: 1607600 732.7644 2121.9966 1908.4805 96.9055 -206373.0476 17771.9732 0.0000 0.0000 34483.1528 -149257.7746 301.1500 -183740.9275 -149164.7294 299.0934 27.8942 60.7494 557539.7944 -7.5606 -7.5493 PRESSURE: 1607800 -55.2555 3.56292 -148.042 3.56311 -70.6983 -174.644 -148.04 -174.643 -346.992 GPRESSURE: 1607800 -17.8807 6.59506 -100.217 -10.6876 2.46248 -201.282 -126.07 -113.964 -365.685 PRESSAVG: 1607800 -2.99439 -1.64244 -23.784 -1.64251 54.4237 30.9997 -23.784 30.9997 -72.7623 GPRESSAVG: 1607800 -3.48933 -0.331572 -21.6368 -2.90088 54.8908 28.9996 -24.4697 32.4553 -72.5255 TIMING: 1607800 CPU: 4845.77, 0.0030147/step Wall: 4845.77, 0.0030147/step, 2.84069 hours remaining, 209.500000 MB of memory in use. ENERGY: 1607800 720.5699 2080.2744 1932.3650 109.6542 -206104.9135 17561.5530 0.0000 0.0000 34388.8628 -149311.6341 300.3265 -183700.4969 -149214.4868 299.1960 -157.6486 -127.0344 557626.3871 -7.1110 -7.0414 PRESSURE: 1608000 108.963 -33.4084 88.3128 -33.4094 -77.5665 69.3212 88.3137 69.3219 105.648 GPRESSURE: 1608000 93.1871 -49.2386 76.841 -5.21964 -6.37278 34.3297 145.016 101.37 146.72 PRESSAVG: 1608000 15.2362 12.3625 18.787 12.3625 0.85956 11.1495 18.7869 11.1494 -23.0747 GPRESSAVG: 1608000 14.8491 13.4054 17.8477 13.5736 0.733325 11.3492 20.4515 10.5974 -22.0525 TIMING: 1608000 CPU: 4846.38, 0.00303226/step Wall: 4846.38, 0.00303226/step, 2.85706 hours remaining, 209.500000 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: 1608000 745.0588 2006.4644 1934.0208 102.1385 -206210.4833 17924.0830 0.0000 0.0000 34248.9068 -149249.8109 299.1042 -183498.7177 -149159.0547 299.6246 45.6815 77.8448 558244.0471 -2.3263 -2.1567 PRESSURE: 1608200 -17.8768 -17.7487 24.1713 -17.7489 44.0683 -69.2391 24.17 -69.2394 -171.227 GPRESSURE: 1608200 -19.2947 -54.2499 83.64 70.0066 141.27 -47.3535 -5.05816 -67.3877 -174.842 PRESSAVG: 1608200 -48.5897 -52.1634 41.633 -52.1633 47.5968 19.1111 41.6331 19.1111 16.8955 GPRESSAVG: 1608200 -47.8686 -53.397 41.372 -54.1004 47.2472 20.9993 41.0322 17.9228 16.2273 TIMING: 1608200 CPU: 4846.98, 0.00303313/step Wall: 4846.98, 0.00303313/step, 2.85771 hours remaining, 209.500000 MB of memory in use. ENERGY: 1608200 729.1654 2047.6923 1913.1235 102.0312 -205918.7995 17764.6250 0.0000 0.0000 34052.3890 -149309.7731 297.3880 -183362.1622 -149218.1727 298.8506 -48.3453 -17.6221 558718.6930 5.3008 5.2020 LDB: ============= START OF LOAD BALANCING ============== 4850.51 LDB: ============== END OF LOAD BALANCING =============== 4850.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4850.51 LDB: ============= START OF LOAD BALANCING ============== 4850.81 LDB: Largest compute 4800 load 0.032086 is 27.2% of average load 0.117825 LDB: Average compute 0.001735 is 1.5% of average load 0.117825 LDB: TIME 4850.81 LOAD: AVG 0.117825 MAX 0.221034 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.812 MB LDB: TIME 4850.81 LOAD: AVG 0.117825 MAX 0.221034 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.055 MB LDB: TIME 4850.81 LOAD: AVG 0.117825 MAX 0.221034 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.055 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4850.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4850.82 PRESSURE: 1608400 -289.463 92.3109 -61.872 92.3102 -123.656 13.443 -61.873 13.4411 38.1039 GPRESSURE: 1608400 -259.522 50.2182 -115.058 118.927 -101.143 -23.9801 -23.8427 30.168 86.4561 PRESSAVG: 1608400 15.3395 4.4127 -56.319 4.41267 -33.0386 22.8869 -56.3191 22.8869 -15.7636 GPRESSAVG: 1608400 15.917 2.91826 -55.4886 6.77836 -33.1339 22.7738 -56.6345 23.8024 -16.6284 TIMING: 1608400 CPU: 4847.6, 0.00309116/step Wall: 4847.6, 0.00309116/step, 2.91221 hours remaining, 210.187500 MB of memory in use. ENERGY: 1608400 719.5440 2114.2143 1925.4252 125.0052 -206307.7122 17694.4725 0.0000 0.0000 34341.2685 -149387.7826 299.9108 -183729.0511 -149288.5551 298.7318 -125.0049 -91.4028 558036.7803 -11.1542 -11.2818 PRESSURE: 1608600 -127.117 -115.178 -161.337 -115.177 -193.23 -23.7506 -161.337 -23.7506 -384.302 GPRESSURE: 1608600 -61.099 -122.319 -184.339 -148.575 -198.632 -21.1427 -129.993 17.632 -346.883 PRESSAVG: 1608600 -4.76042 5.04614 -34.5497 5.04625 -25.9109 -1.98713 -34.5498 -1.98711 61.1695 GPRESSAVG: 1608600 -4.45491 5.64456 -35.055 4.24134 -27.0684 -1.95938 -34.6451 -1.4958 61.9431 TIMING: 1608600 CPU: 4848.21, 0.00302162/step Wall: 4848.21, 0.00302162/step, 2.84653 hours remaining, 210.511719 MB of memory in use. ENERGY: 1608600 717.4840 2111.8520 1908.2637 106.1769 -205709.9397 17356.5161 0.0000 0.0000 34204.6697 -149304.9773 298.7179 -183509.6470 -149214.6756 299.1098 -234.8828 -202.2046 557237.2504 10.1661 10.1399 PRESSURE: 1608800 320.823 -16.0915 14.2264 -16.0915 29.5564 -111.304 14.2267 -111.306 -65.3541 GPRESSURE: 1608800 288.038 -38.7788 14.9785 48.183 72.6256 -37.9736 -48.268 -184.465 17.3323 PRESSAVG: 1608800 25.3394 -38.2921 -76.2473 -38.292 -49.8385 1.78778 -76.2473 1.78786 -12.2326 GPRESSAVG: 1608800 25.9657 -39.4774 -75.4592 -37.9817 -50.1366 2.729 -77.1011 -0.852398 -12.4977 TIMING: 1608800 CPU: 4848.81, 0.00302972/step Wall: 4848.81, 0.00302972/step, 2.854 hours remaining, 210.582031 MB of memory in use. ENERGY: 1608800 748.5896 2108.1126 1937.7028 112.2151 -206634.9556 18187.1606 0.0000 0.0000 34213.5750 -149327.5999 298.7957 -183541.1749 -149230.1297 299.0506 95.0083 125.9987 557504.7384 -12.2439 -12.2228 PRESSURE: 1609000 162.671 30.8594 57.8474 30.8597 163.084 -148.2 57.8472 -148.2 -83.2094 GPRESSURE: 1609000 239.984 34.7766 69.8882 21.2045 134.29 -176.894 37.4251 -101.861 -33.31 PRESSAVG: 1609000 27.967 -17.1952 42.571 -17.1952 -17.463 5.63077 42.5709 5.6308 -37.479 GPRESSAVG: 1609000 27.0863 -18.383 41.8146 -15.093 -17.6922 2.77908 40.7249 7.61602 -36.8047 TIMING: 1609000 CPU: 4849.42, 0.00306576/step Wall: 4849.42, 0.00306576/step, 2.88778 hours remaining, 210.582031 MB of memory in use. ENERGY: 1609000 734.1813 2094.3599 1914.8893 122.7099 -206108.9627 17740.0942 0.0000 0.0000 34061.5815 -149441.1466 297.4683 -183502.7281 -149343.4608 298.6127 80.8487 113.6544 557569.5249 -8.9917 -9.1369 PRESSURE: 1609200 -115.211 -122.905 -102.657 -122.905 -223.725 -61.2095 -102.656 -61.2098 -68.2666 GPRESSURE: 1609200 -79.1259 -200.157 -51.3026 -51.8228 -151.207 -92.8602 -108.126 -88.0751 -81.3006 PRESSAVG: 1609200 10.2555 -15.2703 -4.42941 -15.2704 63.5473 -36.9709 -4.4294 -36.9708 -73.7385 GPRESSAVG: 1609200 10.041 -14.4835 -4.26757 -16.9467 64.9777 -36.3868 -3.28616 -37.3237 -75.6254 TIMING: 1609200 CPU: 4850.03, 0.00303958/step Wall: 4850.03, 0.00303958/step, 2.86295 hours remaining, 210.582031 MB of memory in use. ENERGY: 1609200 768.5413 2110.9133 1915.2223 111.6460 -206285.8107 17806.9673 0.0000 0.0000 34183.8284 -149388.6922 298.5359 -183572.5206 -149291.1648 299.1598 -135.7343 -103.8779 556489.0083 0.0214 -0.2022 PRESSURE: 1609400 -219.047 -6.91746 -32.0343 -6.9173 -272.493 58.6878 -32.0336 58.6859 -155.094 GPRESSURE: 1609400 -163.873 -69.5192 -69.0216 15.8481 -258.71 55.9774 -10.5379 28.6189 -121.474 PRESSAVG: 1609400 0.437375 11.2627 9.22464 11.2628 22.2116 4.53432 9.22463 4.5342 -21.1483 GPRESSAVG: 1609400 -0.665218 11.2005 10.8128 11.092 21.8519 3.86726 8.33391 4.93635 -19.6358 TIMING: 1609400 CPU: 4850.64, 0.00304793/step Wall: 4850.64, 0.00304793/step, 2.87064 hours remaining, 210.582031 MB of memory in use. ENERGY: 1609400 767.9066 2098.5127 1917.8341 115.5407 -206130.6541 17678.8289 0.0000 0.0000 34144.6089 -149407.4223 298.1934 -183552.0312 -149310.3129 298.8926 -215.5446 -181.3526 558711.0035 0.5002 0.5170 PRESSURE: 1609600 -119.316 -12.2888 173.013 -12.2887 58.3691 -95.8593 173.013 -95.8581 50.9213 GPRESSURE: 1609600 -62.4676 12.8045 199.285 18.3119 63.8196 -160.39 117.851 -64.6597 85.4231 PRESSAVG: 1609600 -51.1697 -0.865469 -12.3169 -0.865522 110.563 18.089 -12.317 18.0891 -20.7218 GPRESSAVG: 1609600 -50.0268 0.273896 -12.8509 0.168978 109.452 18.2594 -12.1489 17.9344 -21.7163 TIMING: 1609600 CPU: 4851.25, 0.00304283/step Wall: 4851.25, 0.00304283/step, 2.86567 hours remaining, 210.582031 MB of memory in use. ENERGY: 1609600 758.6267 2065.1392 1920.4285 105.4350 -206288.5177 17781.3388 0.0000 0.0000 34348.6909 -149308.8584 299.9757 -183657.5493 -149210.8061 299.1673 -3.3419 28.9250 557774.4587 12.8905 12.5698 PRESSURE: 1609800 60.7756 -60.1264 101.859 -60.1261 -90.0446 152.592 101.859 152.594 -84.29 GPRESSURE: 1609800 52.9835 -41.7329 61.968 -68.8824 -51.2537 187.089 58.8737 169.288 -22.0866 PRESSAVG: 1609800 -34.9913 -19.52 13.0697 -19.5199 46.2409 -28.6649 13.0697 -28.6649 -19.1521 GPRESSAVG: 1609800 -35.7558 -22.5138 11.9693 -20.6557 46.4793 -24.7226 15.1954 -30.7733 -18.8951 TIMING: 1609800 CPU: 4851.86, 0.00305833/step Wall: 4851.86, 0.00305833/step, 2.8801 hours remaining, 210.582031 MB of memory in use. ENERGY: 1609800 738.3385 2108.1925 1932.8972 118.6302 -205997.6403 17738.3962 0.0000 0.0000 34186.6413 -149174.5443 298.5604 -183361.1856 -149084.2688 299.5226 -37.8530 -6.7856 557620.1593 -2.6342 -2.7238 PRESSURE: 1610000 -94.0812 25.9562 -71.5105 25.9561 90.6298 82.8449 -71.5095 82.8463 167.007 GPRESSURE: 1610000 -54.6569 3.60503 -56.6699 -6.25207 134.138 48.6594 -92.9209 53.0075 176.789 PRESSAVG: 1610000 31.4596 33.2034 -19.3868 33.2035 -5.44981 -2.61183 -19.3869 -2.61175 -29.9577 GPRESSAVG: 1610000 31.4329 34.7224 -18.3995 32.8341 -5.7775 -4.13286 -21.5714 -0.89606 -29.7825 TIMING: 1610000 CPU: 4852.47, 0.00305288/step Wall: 4852.47, 0.00305288/step, 2.87479 hours remaining, 210.582031 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: 1610000 751.7002 2082.2490 1932.1810 109.0814 -206500.4470 18038.9977 0.0000 0.0000 34248.5035 -149337.7342 299.1007 -183586.2377 -149243.3940 298.8194 54.5186 85.4233 558378.5787 -1.3160 -1.3757 PRESSURE: 1610200 -49.8515 56.5817 -126.965 56.5821 209.826 121.426 -126.965 121.423 -80.5041 GPRESSURE: 1610200 15.0566 87.4608 -192.179 99.0055 213.017 226.469 -71.1806 17.4336 -44.0921 PRESSAVG: 1610200 -59.4743 42.7046 -62.8996 42.7046 8.43818 30.1962 -62.8995 30.1962 60.3842 GPRESSAVG: 1610200 -58.6117 43.9533 -63.5749 44.2496 8.44702 31.2104 -60.8667 30.289 59.5018 TIMING: 1610200 CPU: 4853.09, 0.00306996/step Wall: 4853.09, 0.00306996/step, 2.8907 hours remaining, 210.582031 MB of memory in use. ENERGY: 1610200 749.3263 2119.2096 1932.4370 108.9620 -206647.0851 18034.2832 0.0000 0.0000 34362.9865 -149339.8804 300.1005 -183702.8668 -149242.8024 298.5301 26.4901 61.3271 557510.0394 3.1161 3.1124 PRESSURE: 1610400 -76.6515 101.014 0.325457 101.014 -255.705 18.1132 0.326091 18.1127 -189.756 GPRESSURE: 1610400 -48.5127 209.849 -44.6846 2.80327 -252.005 32.9597 112.836 50.1904 -120.591 PRESSAVG: 1610400 -7.47493 39.9561 -2.4617 39.956 -38.6661 0.999597 -2.46169 0.999542 4.70611 GPRESSAVG: 1610400 -8.1686 39.8262 -2.35009 38.7178 -37.8273 -2.76329 -2.23442 2.27086 5.12772 TIMING: 1610400 CPU: 4853.7, 0.00304089/step Wall: 4853.7, 0.00304089/step, 2.86316 hours remaining, 210.582031 MB of memory in use. ENERGY: 1610400 747.7000 2097.2202 1938.0167 111.7662 -206122.3203 17640.8525 0.0000 0.0000 34307.6627 -149279.1020 299.6174 -183586.7647 -149182.8235 299.2678 -174.0375 -140.3696 559139.7131 -13.8117 -13.6227 PRESSURE: 1610600 42.0183 35.0861 -13.6365 35.0853 80.7713 147.094 -13.6376 147.093 -77.9156 GPRESSURE: 1610600 103.687 71.7523 36.3151 -4.23065 91.6974 65.1278 -23.5154 88.5236 -42.3986 PRESSAVG: 1610600 7.65817 45.7495 23.4153 45.7495 8.85668 -7.65428 23.4154 -7.65427 -15.7551 GPRESSAVG: 1610600 6.01143 46.0409 22.7025 45.4523 9.18544 -5.36101 22.276 -7.22916 -14.6653 TIMING: 1610600 CPU: 4854.3, 0.00302879/step Wall: 4854.3, 0.00302879/step, 2.8516 hours remaining, 210.582031 MB of memory in use. ENERGY: 1610600 746.4477 2086.6564 1937.6328 99.7336 -206197.8993 17800.6221 0.0000 0.0000 34275.3700 -149251.4366 299.3353 -183526.8067 -149157.5865 299.5103 14.9580 50.9954 558718.9694 0.2533 0.1772 PRESSURE: 1610800 -117.301 -65.7609 81.5985 -65.7608 19.6601 -64.428 81.5992 -64.4276 -49.3598 GPRESSURE: 1610800 -97.3428 -22.9564 -2.33379 -65.5307 41.5699 -89.5275 48.0181 -89.1044 0.267479 PRESSAVG: 1610800 35.6595 19.8434 5.34717 19.8434 53.781 -21.4325 5.34713 -21.4325 -16.8439 GPRESSAVG: 1610800 36.5731 17.5654 8.25054 20.5873 52.1615 -21.866 3.63197 -22.4544 -16.6732 TIMING: 1610800 CPU: 4854.91, 0.00305615/step Wall: 4854.91, 0.00305615/step, 2.8772 hours remaining, 210.582031 MB of memory in use. ENERGY: 1610800 742.0009 2040.0998 1975.1129 122.4066 -206204.0179 17779.3458 0.0000 0.0000 34225.5485 -149319.5034 298.9002 -183545.0519 -149215.9234 299.1796 -49.0002 -18.5018 557740.0548 24.1989 24.0204 PRESSURE: 1611000 -207.977 -163.907 63.7918 -163.908 -112.279 59.9246 63.7919 59.925 -31.33 GPRESSURE: 1611000 -188.47 -207.263 86.9756 -142.938 -22.5527 74.9879 83.9362 99.2866 -50.0872 PRESSAVG: 1611000 0.833607 -93.7269 -13.9001 -93.7268 8.23924 -22.5878 -13.9 -22.5878 -15.1555 GPRESSAVG: 1611000 1.54079 -91.8847 -13.5672 -94.158 8.35496 -24.4568 -15.2609 -22.8386 -15.9706 TIMING: 1611000 CPU: 4855.52, 0.00305698/step Wall: 4855.52, 0.00305698/step, 2.87781 hours remaining, 210.582031 MB of memory in use. ENERGY: 1611000 728.7046 2062.5376 1944.1866 126.8224 -205910.7534 17589.4945 0.0000 0.0000 34043.6937 -149415.3139 297.3120 -183459.0077 -149326.8327 299.1794 -117.1953 -87.0368 558470.9279 -2.0275 -2.0249 PRESSURE: 1611200 -77.5778 -74.0342 -186.97 -74.0328 2.46755 -7.57866 -186.969 -7.57722 -173.606 GPRESSURE: 1611200 -90.8563 -111.752 -78.7093 -37.6429 30.7485 -5.51391 -198.248 -6.87811 -77.754 PRESSAVG: 1611200 -60.793 17.8291 -40.5832 17.8291 -4.04847 -7.81899 -40.5832 -7.81908 38.4839 GPRESSAVG: 1611200 -61.3276 19.1921 -41.3689 18.065 -4.50177 -6.16734 -36.6406 -8.45668 39.3218 TIMING: 1611200 CPU: 4856.14, 0.00307131/step Wall: 4856.14, 0.00307131/step, 2.89113 hours remaining, 210.582031 MB of memory in use. ENERGY: 1611200 762.3873 2076.1523 1912.8358 96.7224 -206602.9189 17986.1766 0.0000 0.0000 34275.9753 -149492.6692 299.3406 -183768.6445 -149394.1216 298.3856 -82.9053 -45.9539 558699.2913 -8.7858 -8.8359 PRESSURE: 1611400 -135.733 -60.8078 84.1466 -60.8084 358.239 -48.5203 84.1458 -48.5198 42.2623 GPRESSURE: 1611400 -84.0692 -102.077 111.194 24.9353 349.286 -35.5753 59.9886 -131.315 98.9756 PRESSAVG: 1611400 20.0587 -59.4804 -14.2608 -59.4805 30.0547 42.9878 -14.2609 42.9879 -7.14191 GPRESSAVG: 1611400 19.9602 -60.1863 -16.4013 -59.4933 32.1448 46.1676 -15.0503 41.4671 -9.29339 TIMING: 1611400 CPU: 4856.74, 0.00302869/step Wall: 4856.74, 0.00302869/step, 2.85084 hours remaining, 210.582031 MB of memory in use. ENERGY: 1611400 741.8776 2074.6247 1905.8527 109.9913 -206584.5981 17935.7497 0.0000 0.0000 34225.9082 -149590.5939 298.9034 -183816.5021 -149492.7698 298.5911 88.2563 121.3975 557625.5047 14.3238 14.2705 PRESSURE: 1611600 -163.9 -33.8226 -133.274 -33.8241 32.0296 -183.146 -133.274 -183.146 1.1838 GPRESSURE: 1611600 -118.403 17.8211 -144.481 -66.1183 94.1987 -132.407 -142.579 -141.201 -2.46703 PRESSAVG: 1611600 4.90902 -29.6779 21.3533 -29.6779 -6.43104 19.6027 21.3533 19.6026 -4.43359 GPRESSAVG: 1611600 5.04544 -30.5628 21.6145 -28.8189 -7.31983 16.3644 20.3613 22.6293 -3.31936 TIMING: 1611600 CPU: 4857.36, 0.00306026/step Wall: 4857.36, 0.00306026/step, 2.88039 hours remaining, 210.582031 MB of memory in use. ENERGY: 1611600 753.0421 2028.8749 1917.0341 112.5117 -206566.6611 17837.1778 0.0000 0.0000 34302.5870 -149615.4334 299.5730 -183918.0204 -149515.3679 297.5977 -43.5620 -8.8904 557975.6433 -1.9852 -1.8646 PRESSURE: 1611800 -6.04927 -76.5562 42.0875 -76.5548 -121.978 74.12 42.0876 74.1193 -298.746 GPRESSURE: 1611800 -26.0944 -148.88 63.008 -95.1088 -101.998 128.581 31.7221 59.1476 -184.336 PRESSAVG: 1611800 3.86454 -45.5641 18.053 -45.5641 -26.171 38.3627 18.0529 38.3627 1.32275 GPRESSAVG: 1611800 3.36358 -46.4276 19.9139 -45.0255 -27.114 38.07 17.4966 36.819 2.42476 TIMING: 1611800 CPU: 4857.96, 0.00302491/step Wall: 4857.96, 0.00302491/step, 2.84694 hours remaining, 210.582031 MB of memory in use. ENERGY: 1611800 729.2267 2140.7877 1913.0187 95.9694 -206334.6273 17723.0203 0.0000 0.0000 34120.0584 -149612.5460 297.9790 -183732.6045 -149517.4736 297.8944 -142.2577 -104.1430 557669.9833 -6.9946 -7.1085 PRESSURE: 1612000 43.3975 -15.4786 30.8687 -15.4774 286.741 109.522 30.8678 109.525 106.789 GPRESSURE: 1612000 72.7938 42.5847 13.1148 -78.8964 289.104 109.331 89.0195 34.8966 181.395 PRESSAVG: 1612000 -6.8732 11.9271 11.5108 11.9272 -25.1073 -39.7914 11.5107 -39.7913 27.605 GPRESSAVG: 1612000 -7.94473 13.5752 10.511 9.17796 -22.7337 -39.8551 12.4153 -39.7651 26.1308 TIMING: 1612000 CPU: 4858.58, 0.00309283/step Wall: 4858.58, 0.00309283/step, 2.9107 hours remaining, 210.582031 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: 1612000 728.9533 2140.2392 1935.8124 114.5391 -206739.0311 18044.5271 0.0000 0.0000 34120.7827 -149654.1772 297.9853 -183774.9599 -149565.2736 298.0131 145.6425 181.0975 555904.6063 -1.4585 -1.5159 PRESSURE: 1612200 56.0357 120.91 -73.1702 120.912 138.677 -33.4643 -73.1707 -33.4647 -36.0559 GPRESSURE: 1612200 69.4961 189.227 -25.9019 84.127 196.85 33.4374 -111.563 -11.0473 -16.303 PRESSAVG: 1612200 53.0359 26.7543 -42.6508 26.7544 8.63448 -26.2131 -42.6508 -26.213 -28.8189 GPRESSAVG: 1612200 54.7853 27.2183 -42.7907 27.7898 6.53376 -25.0801 -43.0287 -25.6144 -28.2186 TIMING: 1612200 CPU: 4859.2, 0.00311306/step Wall: 4859.2, 0.00311306/step, 2.92956 hours remaining, 210.582031 MB of memory in use. ENERGY: 1612200 720.1997 2143.7888 1945.7352 115.5224 -206249.7264 17879.8298 0.0000 0.0000 33933.7266 -149510.9239 296.3517 -183444.6505 -149420.8255 298.4708 52.8857 83.3478 556383.7848 10.9505 11.0335 LDB: ============= START OF LOAD BALANCING ============== 4862.73 LDB: ============== END OF LOAD BALANCING =============== 4862.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4862.73 LDB: ============= START OF LOAD BALANCING ============== 4863.04 LDB: Largest compute 4800 load 0.032294 is 27.4% of average load 0.117884 LDB: Average compute 0.001738 is 1.5% of average load 0.117884 LDB: TIME 4863.05 LOAD: AVG 0.117884 MAX 0.227566 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 4863.05 LOAD: AVG 0.117884 MAX 0.227566 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.305 MB LDB: TIME 4863.05 LOAD: AVG 0.117884 MAX 0.227566 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.305 MB LDB: ============== END OF LOAD BALANCING =============== 4863.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4863.05 PRESSURE: 1612400 -56.0721 -81.307 -68.9664 -81.3062 -318.266 -9.1583 -68.9656 -9.1579 -329.885 GPRESSURE: 1612400 -3.25872 -48.6717 -106.304 -44.8961 -313.528 -33.3112 -115.229 -30.2234 -296.885 PRESSAVG: 1612400 -12.6449 42.3413 27.653 42.3413 -94.2789 -8.05389 27.653 -8.05384 1.34397 GPRESSAVG: 1612400 -12.7561 41.7527 28.4075 41.5689 -93.8553 -7.54663 26.4387 -8.70578 1.24844 TIMING: 1612400 CPU: 4859.84, 0.00317849/step Wall: 4859.84, 0.00317849/step, 2.99096 hours remaining, 207.949219 MB of memory in use. ENERGY: 1612400 752.4407 2050.4397 1960.3973 109.2857 -206101.5599 17422.3638 0.0000 0.0000 34310.9455 -149495.6874 299.6460 -183806.6328 -149400.8815 298.0294 -234.7408 -204.5572 557772.1499 -35.1933 -35.1210 PRESSURE: 1612600 -275.63 -63.5055 -24.4256 -63.5068 -311.337 -1.60112 -24.4258 -1.60235 -439.874 GPRESSURE: 1612600 -254.142 -36.741 -98.2562 -120.905 -270.663 69.8838 43.7312 -39.4252 -408.783 PRESSAVG: 1612600 13.8113 32.5895 -37.1655 32.5896 -58.4404 -26.9026 -37.1655 -26.9027 25.9368 GPRESSAVG: 1612600 13.3614 31.8915 -38.6721 32.2538 -57.273 -29.4399 -34.9933 -24.1684 25.5213 TIMING: 1612600 CPU: 4860.46, 0.00310025/step Wall: 4860.46, 0.00310025/step, 2.91716 hours remaining, 208.410156 MB of memory in use. ENERGY: 1612600 768.4695 2121.8900 1946.9423 105.3864 -206199.8160 17396.4985 0.0000 0.0000 34304.8888 -149555.7406 299.5931 -183860.6293 -149453.3489 297.8429 -342.2802 -311.1960 557148.2900 -6.2308 -6.1301 PRESSURE: 1612800 -59.52 67.2697 -39.6679 67.2692 -59.9464 -115.44 -39.6669 -115.44 -86.7349 GPRESSURE: 1612800 -75.6932 105.061 -70.5435 45.9805 -56.9205 -137.471 -57.2329 -149.395 14.5298 PRESSAVG: 1612800 -12.5166 -7.28933 -70.4329 -7.28928 -7.13323 27.4305 -70.4328 27.4305 -0.684839 GPRESSAVG: 1612800 -13.4221 -8.0589 -69.4202 -6.74233 -6.97556 28.6251 -70.9072 23.4233 0.248789 TIMING: 1612800 CPU: 4861.07, 0.00306602/step Wall: 4861.07, 0.00306602/step, 2.88478 hours remaining, 208.410156 MB of memory in use. ENERGY: 1612800 741.7205 2090.7244 1924.2541 113.7806 -206542.5929 17901.9463 0.0000 0.0000 34119.3507 -149650.8162 297.9728 -183770.1669 -149555.2053 298.4355 -68.7337 -39.3613 558030.1642 -6.7782 -6.7163 PRESSURE: 1613000 199.92 80.8318 6.66808 80.8319 222.632 172.13 6.66639 172.129 -2.91334 GPRESSURE: 1613000 175.563 -109.981 6.61275 143.151 340.28 119.349 54.9423 191.882 -1.10342 PRESSAVG: 1613000 -37.819 -31.9097 -17.7318 -31.9096 15.6837 -14.12 -17.7318 -14.12 17.237 GPRESSAVG: 1613000 -36.7765 -32.5548 -14.1947 -32.1803 14.9315 -14.6809 -20.9835 -13.7259 16.8398 TIMING: 1613000 CPU: 4861.68, 0.00306619/step Wall: 4861.68, 0.00306619/step, 2.88477 hours remaining, 208.410156 MB of memory in use. ENERGY: 1613000 751.8627 2066.2524 1917.4889 110.8073 -206688.0155 18189.3891 0.0000 0.0000 34133.9845 -149518.2307 298.1006 -183652.2151 -149426.8000 298.4852 139.8797 171.5798 557088.1084 -1.6328 -1.6684 PRESSURE: 1613200 -131.762 -36.889 -41.1151 -36.8887 115.869 72.5864 -41.1148 72.5853 171.515 GPRESSURE: 1613200 -46.6895 -96.8341 -112.672 -0.67233 127.51 80.3125 -26.7885 75.0342 176.289 PRESSAVG: 1613200 -70.3225 26.2403 60.7546 26.2403 38.7849 25.6966 60.7547 25.6965 38.2283 GPRESSAVG: 1613200 -70.362 28.4117 56.2103 25.9786 39.234 27.6694 63.679 27.1631 37.4072 TIMING: 1613200 CPU: 4862.29, 0.00304747/step Wall: 4862.29, 0.00304747/step, 2.86699 hours remaining, 208.410156 MB of memory in use. ENERGY: 1613200 722.4839 2117.4262 1934.7939 113.3625 -206534.7311 18034.7568 0.0000 0.0000 34143.1854 -149468.7225 298.1809 -183611.9079 -149370.1992 298.3261 51.8738 85.7034 558316.0158 2.2303 2.0930 PRESSURE: 1613400 -157.358 -70.8006 -42.0808 -70.8002 89.1407 3.44222 -42.0803 3.44091 -37.606 GPRESSURE: 1613400 -113.861 -88.2371 1.76905 -85.9569 159.407 -12.345 -89.5696 -73.4694 -56.3781 PRESSAVG: 1613400 -19.1076 -19.2008 37.7373 -19.2008 -3.32172 80.1082 37.7373 80.1083 23.4333 GPRESSAVG: 1613400 -20.0535 -22.8512 41.0657 -16.9583 -3.11265 78.8694 36.413 80.6573 24.3099 TIMING: 1613400 CPU: 4862.91, 0.00305905/step Wall: 4862.91, 0.00305905/step, 2.87771 hours remaining, 208.410156 MB of memory in use. ENERGY: 1613400 694.8306 2082.2113 1918.9885 112.6755 -206342.0967 17713.3000 0.0000 0.0000 34070.2131 -149749.8776 297.5436 -183820.0907 -149658.5270 297.6591 -35.2746 -3.6105 557758.8357 0.3347 0.3813 PRESSURE: 1613600 -19.526 -45.9739 176.304 -45.9735 -60.7196 -92.9937 176.306 -92.9936 -15.501 GPRESSURE: 1613600 45.9709 -68.2419 126.057 -74.2498 -13.6399 -61.3818 184.935 -61.2017 -33.9486 PRESSAVG: 1613600 89.7813 16.9759 38.6257 16.9759 -3.0887 54.7259 38.6257 54.7261 -76.3534 GPRESSAVG: 1613600 90.9062 19.6082 36.5842 15.1123 -3.89384 53.391 39.8162 55.4882 -77.0031 TIMING: 1613600 CPU: 4863.51, 0.00303126/step Wall: 4863.51, 0.00303126/step, 2.85141 hours remaining, 208.480469 MB of memory in use. ENERGY: 1613600 760.9094 2030.2427 1954.0736 112.3650 -206473.5623 17857.4136 0.0000 0.0000 34129.8669 -149628.6911 298.0646 -183758.5580 -149526.6268 297.3201 -31.9155 -0.5392 557858.4426 3.4464 3.3364 PRESSURE: 1613800 381.98 0.215213 69.1589 0.215606 -84.5452 24.8289 69.1601 24.8311 -135.793 GPRESSURE: 1613800 400.687 90.6647 35.829 -32.3652 -90.592 -8.31904 54.3446 54.9527 -53.0816 PRESSAVG: 1613800 60.6108 -22.6419 -65.3867 -22.642 -72.579 -10.4478 -65.3868 -10.4476 -3.1514 GPRESSAVG: 1613800 59.5288 -23.1259 -64.9384 -22.8168 -72.7805 -11.0384 -64.5326 -10.4207 -2.34864 TIMING: 1613800 CPU: 4864.12, 0.00303655/step Wall: 4864.12, 0.00303655/step, 2.85622 hours remaining, 208.480469 MB of memory in use. ENERGY: 1613800 749.3943 2069.9377 1925.7715 130.5942 -206741.7744 18094.1596 0.0000 0.0000 34280.7532 -149491.1639 299.3823 -183771.9171 -149394.7532 297.7451 53.8807 85.6712 556699.8104 -5.0399 -5.2001 PRESSURE: 1614000 -155.537 -41.299 76.6432 -41.2987 7.80869 77.3911 76.6438 77.3913 -65.1589 GPRESSURE: 1614000 -145.498 16.0783 29.0934 -117.094 15.6919 -59.046 24.3421 190.719 23.9629 PRESSAVG: 1614000 56.8796 32.0747 3.92678 32.0746 -25.5876 56.211 3.92685 56.2111 -24.7644 GPRESSAVG: 1614000 56.2318 33.6969 3.73521 30.8786 -25.5396 55.4265 3.27337 55.0501 -24.5884 TIMING: 1614000 CPU: 4864.73, 0.00304651/step Wall: 4864.73, 0.00304651/step, 2.86541 hours remaining, 208.480469 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: 1614000 732.6668 2091.0414 1944.8726 110.7527 -206169.4025 17770.3032 0.0000 0.0000 34248.5107 -149271.2551 299.1008 -183519.7658 -149173.9725 299.0608 -70.9625 -35.2811 558306.4946 2.1759 2.0346 PRESSURE: 1614200 206.984 -120.456 -21.8136 -120.456 147.601 49.2707 -21.813 49.2699 -38.2628 GPRESSURE: 1614200 207.949 -103.888 -62.6329 -187.465 195.385 61.158 -16.442 48.4097 14.1284 PRESSAVG: 1614200 0.835932 30.0326 -7.01364 30.0326 7.30856 -10.4781 -7.01371 -10.4782 -29.8756 GPRESSAVG: 1614200 0.782078 27.3651 -7.18648 32.2191 6.93071 -5.17295 -7.94238 -13.4585 -29.5122 TIMING: 1614200 CPU: 4865.33, 0.00303044/step Wall: 4865.33, 0.00303044/step, 2.85013 hours remaining, 208.480469 MB of memory in use. ENERGY: 1614200 712.0164 2052.0974 1916.7056 121.8397 -206255.9459 17969.0110 0.0000 0.0000 34222.3973 -149261.8785 298.8727 -183484.2758 -149155.8347 299.0816 105.4407 139.1541 558244.1279 -7.2437 -7.2665 PRESSURE: 1614400 -96.8923 -92.0178 -105.69 -92.0191 -90.5681 78.0772 -105.689 78.0771 -148.676 GPRESSURE: 1614400 -74.2543 -91.1136 -144.366 -98.3307 -49.893 132.058 -24.216 60.314 -103.464 PRESSAVG: 1614400 75.9509 -45.846 -22.6194 -45.8459 -53.9275 -8.66002 -22.6195 -8.66008 -3.11683 GPRESSAVG: 1614400 76.7758 -43.1288 -22.1535 -47.1989 -54.2918 -11.6718 -22.1458 -7.56983 -4.15545 TIMING: 1614400 CPU: 4865.94, 0.00303437/step Wall: 4865.94, 0.00303437/step, 2.85366 hours remaining, 208.480469 MB of memory in use. ENERGY: 1614400 732.7953 2065.9242 1942.7683 110.9130 -206153.1054 17671.3790 0.0000 0.0000 34400.2892 -149229.0363 300.4263 -183629.3255 -149132.7035 298.5615 -112.0456 -75.8704 558501.7429 6.3022 6.1095 PRESSURE: 1614600 283.573 -153.739 -96.9144 -153.74 -201.107 -28.4325 -96.9147 -28.4327 -58.3956 GPRESSURE: 1614600 262.487 -139.46 -34.7967 -228.921 -148.189 -32.391 -133.835 -40.5283 -12.6077 PRESSAVG: 1614600 21.4463 -6.67022 -24.297 -6.67042 -10.0372 20.2566 -24.297 20.2565 25.2819 GPRESSAVG: 1614600 21.0293 -7.58022 -25.5271 -6.16139 -9.30195 19.7823 -25.258 21.5953 24.757 TIMING: 1614600 CPU: 4866.54, 0.00301761/step Wall: 4866.54, 0.00301761/step, 2.83772 hours remaining, 208.480469 MB of memory in use. ENERGY: 1614600 761.3372 2097.3622 1945.9225 108.8200 -206066.9886 17807.7181 0.0000 0.0000 34051.6891 -149294.1396 297.3819 -183345.8287 -149199.7797 298.9475 8.0233 33.8966 557102.2918 12.2303 12.1615 PRESSURE: 1614800 311.246 -31.0844 -69.2204 -31.0847 12.0912 -116.291 -69.2204 -116.29 337.895 GPRESSURE: 1614800 301.192 -19.7179 -70.0981 -29.2211 79.7528 -134.215 -95.7017 -185.398 370.739 PRESSAVG: 1614800 -64.3872 46.2457 -2.87168 46.2457 45.4669 -1.37074 -2.87165 -1.37077 44.977 GPRESSAVG: 1614800 -64.448 46.5574 -4.98581 46.3235 44.6573 -2.05012 -0.0967722 -0.857571 45.9291 TIMING: 1614800 CPU: 4867.15, 0.00300943/step Wall: 4867.15, 0.00300943/step, 2.82987 hours remaining, 208.480469 MB of memory in use. ENERGY: 1614800 769.1344 2101.7483 1915.2259 122.8533 -206286.0459 17960.6348 0.0000 0.0000 34232.9352 -149183.5141 298.9647 -183416.4493 -149084.1265 299.1090 220.4107 250.5614 556688.9691 8.6856 8.7128 PRESSURE: 1615000 -52.6588 111.463 -33.9364 111.463 220.227 -26.4348 -33.9354 -26.4349 108.694 GPRESSURE: 1615000 38.4564 107.596 -28.8675 121.169 193.996 49.6784 -0.61228 -94.8471 132.86 PRESSAVG: 1615000 -86.5405 1.31357 -17.5997 1.31358 50.4798 15.83 -17.5997 15.83 78.1935 GPRESSAVG: 1615000 -85.8429 1.16639 -15.3087 1.5068 49.535 15.8008 -18.2695 14.7449 77.7946 TIMING: 1615000 CPU: 4867.75, 0.0030116/step Wall: 4867.75, 0.0030116/step, 2.83174 hours remaining, 208.480469 MB of memory in use. ENERGY: 1615000 781.8001 2126.9102 1964.5842 114.8379 -206544.9283 18039.0389 0.0000 0.0000 34207.4951 -149310.2619 298.7426 -183517.7570 -149211.5623 299.1562 92.0872 121.7708 555417.7635 14.0442 13.8289 PRESSURE: 1615200 255.225 -43.0703 -94.1101 -43.0692 388.886 -47.8448 -94.1105 -47.8447 383.516 GPRESSURE: 1615200 295.166 -67.3081 -1.27238 -47.9699 398.559 -48.1712 -60.117 -121.096 433.015 PRESSAVG: 1615200 13.3468 43.684 -7.72993 43.6841 -19.29 25.1483 -7.72984 25.1483 32.7702 GPRESSAVG: 1615200 13.8408 41.5103 -7.23053 44.0134 -19.1684 25.7357 -8.86381 25.5309 32.3605 TIMING: 1615200 CPU: 4868.35, 0.00302115/step Wall: 4868.35, 0.00302115/step, 2.84055 hours remaining, 208.480469 MB of memory in use. ENERGY: 1615200 781.3809 2111.4945 1947.0758 114.9985 -207018.8567 18397.5180 0.0000 0.0000 34421.3682 -149245.0207 300.6104 -183666.3890 -149144.8732 299.6980 342.5426 375.5799 555358.3401 8.9423 9.0110 PRESSURE: 1615400 -253.117 -42.4977 23.2699 -42.4971 -134.443 -22.1284 23.27 -22.1284 2.60413 GPRESSURE: 1615400 -211.515 -13.7949 26.1626 -91.0439 -56.5081 -21.1001 -6.21553 -46.9601 -29.07 PRESSAVG: 1615400 -66.6088 12.2477 3.54962 12.2476 7.69673 51.8206 3.54956 51.8208 43.6958 GPRESSAVG: 1615400 -68.0482 13.6434 3.18232 11.031 7.56214 49.9862 3.95116 50.6406 45.1037 TIMING: 1615400 CPU: 4868.96, 0.00304356/step Wall: 4868.96, 0.00304356/step, 2.86146 hours remaining, 208.480469 MB of memory in use. ENERGY: 1615400 776.1894 2079.9829 1949.3550 117.1141 -206357.2195 17628.0809 0.0000 0.0000 34421.8728 -149384.6244 300.6148 -183806.4972 -149283.6302 300.0685 -128.3185 -99.0309 556167.9816 -5.0721 -5.1274 PRESSURE: 1615600 -29.8994 92.123 81.752 92.1225 8.19922 -77.2489 81.7513 -77.2489 -85.4522 GPRESSURE: 1615600 15.3882 116.512 100.126 61.8437 3.08323 -93.3717 97.6645 -104.19 -21.5385 PRESSAVG: 1615600 5.09482 -22.9166 -1.75678 -22.9166 0.462852 -0.133137 -1.75674 -0.133089 -3.04898 GPRESSAVG: 1615600 5.59416 -24.7458 -1.489 -21.8224 0.412842 1.84786 -0.937619 0.536654 -3.26809 TIMING: 1615600 CPU: 4869.57, 0.0030433/step Wall: 4869.57, 0.0030433/step, 2.86104 hours remaining, 208.480469 MB of memory in use. ENERGY: 1615600 703.1873 2135.7030 1948.2771 112.2162 -206548.0392 17825.9037 0.0000 0.0000 34383.1422 -149439.6098 300.2765 -183822.7520 -149346.3062 299.4060 -35.7175 -1.0224 556538.9605 0.8362 0.9130 PRESSURE: 1615800 -15.7305 -25.9636 110.419 -25.9623 -176.036 -57.8409 110.42 -57.8414 -396.37 GPRESSURE: 1615800 23.4064 -37.9041 183.295 -5.78885 -125.492 -80.5069 -8.13708 -127.872 -395.992 PRESSAVG: 1615800 84.7953 30.2476 -27.7722 30.2476 50.6442 -17.911 -27.7722 -17.9109 -83.0124 GPRESSAVG: 1615800 84.4632 30.753 -28.3229 28.3516 51.687 -17.3515 -28.2309 -17.426 -83.3875 TIMING: 1615800 CPU: 4870.17, 0.00301334/step Wall: 4870.17, 0.00301334/step, 2.83271 hours remaining, 208.480469 MB of memory in use. ENERGY: 1615800 738.5725 2062.5749 1914.9640 125.9312 -205873.2922 17493.1649 0.0000 0.0000 34029.4534 -149508.6314 297.1877 -183538.0849 -149409.6576 298.7882 -196.0453 -166.0259 557652.6570 17.4757 17.5875 PRESSURE: 1616000 96.2957 -55.9242 131.171 -55.9246 112.769 58.6191 131.171 58.6195 -63.6325 GPRESSURE: 1616000 150.546 -66.1017 53.5559 -122.46 113.414 22.8055 185.223 83.7164 -15.4902 PRESSAVG: 1616000 19.5788 -5.88839 32.0309 -5.88834 78.4601 2.5106 32.0309 2.51061 -109.332 GPRESSAVG: 1616000 20.2751 -4.01829 30.3033 -5.46505 77.6354 1.46857 32.1809 4.77774 -109.057 TIMING: 1616000 CPU: 4870.78, 0.00302993/step Wall: 4870.78, 0.00302993/step, 2.84814 hours remaining, 208.480469 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: 1616000 737.3781 2064.1603 1931.0455 101.8419 -206706.9694 18096.3339 0.0000 0.0000 34196.7440 -149579.4656 298.6487 -183776.2096 -149485.3205 297.8887 48.4774 82.8234 558488.1140 -3.7645 -3.7154 PRESSURE: 1616200 75.9288 88.6686 138.971 88.6687 153.753 -19.8693 138.971 -19.871 150.798 GPRESSURE: 1616200 107.389 60.1899 118.004 -7.99039 246.201 -26.7257 107.385 -20.6561 119.889 PRESSAVG: 1616200 -27.9463 51.8701 11.3788 51.8702 22.4436 -1.75872 11.3789 -1.75892 -22.6511 GPRESSAVG: 1616200 -27.4909 48.0411 12.5007 53.2294 23.4868 -2.32295 11.7695 -3.91927 -23.8968 TIMING: 1616200 CPU: 4871.39, 0.00305848/step Wall: 4871.39, 0.00305848/step, 2.8748 hours remaining, 208.480469 MB of memory in use. ENERGY: 1616200 776.8921 2121.9515 1892.5516 126.0162 -206756.1993 18167.9331 0.0000 0.0000 34163.4284 -149507.4264 298.3577 -183670.8548 -149413.5853 298.3846 126.8268 157.8265 558452.4998 -9.3846 -9.3003 LDB: ============= START OF LOAD BALANCING ============== 4874.91 LDB: ============== END OF LOAD BALANCING =============== 4874.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4874.91 LDB: ============= START OF LOAD BALANCING ============== 4875.22 LDB: Largest compute 4800 load 0.031159 is 26.4% of average load 0.117850 LDB: Average compute 0.001732 is 1.5% of average load 0.117850 LDB: TIME 4875.22 LOAD: AVG 0.11785 MAX 0.223877 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.438 MB LDB: TIME 4875.22 LOAD: AVG 0.11785 MAX 0.223877 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.438 MB LDB: TIME 4875.22 LOAD: AVG 0.11785 MAX 0.223877 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.438 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4875.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4875.23 PRESSURE: 1616400 175.719 -46.8229 63.3578 -46.8218 328.5 24.0209 63.3569 24.0199 84.6662 GPRESSURE: 1616400 185.239 29.3903 80.0081 -46.6345 361.968 53.4053 5.95229 -4.16828 131.362 PRESSAVG: 1616400 13.7413 5.5295 -23.3415 5.5295 14.807 2.47964 -23.3416 2.47955 -11.8776 GPRESSAVG: 1616400 13.3333 7.17158 -24.2657 3.83806 13.919 1.16264 -23.4972 5.04525 -10.8443 TIMING: 1616400 CPU: 4872.01, 0.00310218/step Wall: 4872.01, 0.00310218/step, 2.9157 hours remaining, 209.046875 MB of memory in use. ENERGY: 1616400 719.2960 2031.3945 1937.9529 116.2887 -206570.9947 18119.1047 0.0000 0.0000 34084.4070 -149562.5509 297.6676 -183646.9579 -149457.8863 298.3868 196.2951 226.1899 555689.9043 5.5569 5.4693 PRESSURE: 1616600 205.823 -112.563 -239.846 -112.563 -111.766 -62.3263 -239.846 -62.3248 162.097 GPRESSURE: 1616600 249.693 -111.057 -245.116 -52.2495 -16.3601 -45.5618 -188.847 -143.127 125.362 PRESSAVG: 1616600 29.5381 55.4057 -6.12295 55.4056 -28.0374 -15.3538 -6.1229 -15.3538 -9.83107 GPRESSAVG: 1616600 27.4279 57.3928 -6.89537 54.7873 -26.6256 -15.0296 -6.77035 -17.1964 -9.05693 TIMING: 1616600 CPU: 4872.62, 0.00306387/step Wall: 4872.62, 0.00306387/step, 2.87953 hours remaining, 209.046875 MB of memory in use. ENERGY: 1616600 735.8399 2066.2528 1948.1619 116.3680 -206186.7979 17580.9087 0.0000 0.0000 34239.6886 -149499.5779 299.0237 -183739.2665 -149399.8645 298.6660 85.3849 119.5647 556728.1022 -2.7768 -2.7515 PRESSURE: 1616800 238.035 -15.0558 -48.6792 -15.056 5.00644 18.0147 -48.6772 18.0152 -196.135 GPRESSURE: 1616800 310.205 -33.0145 -36.5783 41.1395 -30.7487 9.94948 -76.3646 42.5956 -133.49 PRESSAVG: 1616800 -12.0715 -10.5908 6.87384 -10.5909 41.1486 -6.03639 6.87391 -6.03624 -24.1492 GPRESSAVG: 1616800 -9.31047 -9.25025 8.98273 -10.5027 38.5495 -5.7707 7.50201 -5.39636 -24.3139 TIMING: 1616800 CPU: 4873.23, 0.00304483/step Wall: 4873.23, 0.00304483/step, 2.86146 hours remaining, 209.046875 MB of memory in use. ENERGY: 1616800 733.2566 2006.1310 1917.8555 115.4454 -206461.9822 17870.9345 0.0000 0.0000 34132.8144 -149685.5448 298.0904 -183818.3592 -149581.3070 298.0422 15.6354 48.6554 556419.5408 1.6427 1.6417 PRESSURE: 1617000 -92.7078 -87.1102 -100.946 -87.11 48.6239 -74.5152 -100.947 -74.5138 75.7979 GPRESSURE: 1617000 -0.412291 -128.509 -131.105 -127.563 69.3081 -195.041 -86.3359 -49.376 64.5615 PRESSAVG: 1617000 19.0096 6.36911 -18.8326 6.36915 -37.2331 12.6466 -18.8326 12.6465 -0.526861 GPRESSAVG: 1617000 18.0302 2.65514 -20.1743 6.73087 -35.051 13.6165 -19.2596 11.3109 -1.78232 TIMING: 1617000 CPU: 4873.84, 0.00303464/step Wall: 4873.84, 0.00303464/step, 2.85171 hours remaining, 209.046875 MB of memory in use. ENERGY: 1617000 719.2172 2131.3264 1918.9915 104.2124 -206538.0916 17850.0181 0.0000 0.0000 34320.5253 -149493.8006 299.7297 -183814.3259 -149397.0100 298.4490 10.5713 44.4858 556999.6452 -6.2501 -6.2677 PRESSURE: 1617200 -91.1496 -50.7076 -147.195 -50.7067 -0.161297 -127.628 -147.195 -127.629 -191.153 GPRESSURE: 1617200 -7.34526 -122.097 -154.859 27.4224 16.2077 -129.463 -102.573 -139.869 -202.261 PRESSAVG: 1617200 -8.49139 -40.0997 -59.0553 -40.0997 70.4363 -34.6171 -59.0554 -34.6171 -38.9432 GPRESSAVG: 1617200 -8.94118 -39.4082 -56.7287 -37.4232 69.6434 -35.1755 -61.2307 -34.2099 -37.6942 TIMING: 1617200 CPU: 4874.45, 0.00304644/step Wall: 4874.45, 0.00304644/step, 2.86264 hours remaining, 209.046875 MB of memory in use. ENERGY: 1617200 750.7728 2096.9588 1914.7790 110.6775 -206632.7363 17853.7067 0.0000 0.0000 34190.4308 -149715.4107 298.5935 -183905.8415 -149620.9305 298.5375 -94.1545 -64.4662 557789.6263 7.6672 7.6693 PRESSURE: 1617400 -161.628 204.874 20.5979 204.873 22.7095 -41.5644 20.5977 -41.5651 -36.9022 GPRESSURE: 1617400 -123.709 110.789 145.432 216.783 32.0123 -41.1238 -61.6603 -4.15185 24.1538 PRESSAVG: 1617400 13.5409 19.599 0.798588 19.5991 0.883957 -29.7994 0.798538 -29.7994 -4.8313 GPRESSAVG: 1617400 14.06 19.1391 -0.0562959 17.7352 1.14166 -29.6925 2.22318 -28.0653 -5.68204 TIMING: 1617400 CPU: 4875.06, 0.00306734/step Wall: 4875.06, 0.00306734/step, 2.88211 hours remaining, 209.046875 MB of memory in use. ENERGY: 1617400 742.6490 2123.9060 1935.0332 128.3693 -206444.7957 17726.4572 0.0000 0.0000 34234.3619 -149554.0190 298.9772 -183788.3809 -149458.7631 298.4909 -58.6068 -22.5142 556000.3246 3.1978 3.1732 PRESSURE: 1617600 -145.635 -73.41 75.1035 -73.4109 6.0602 47.1913 75.1036 47.1928 -91.6123 GPRESSURE: 1617600 -82.7463 -57.0088 102.384 -81.6628 42.126 -9.29184 61.9628 164.197 -96.7478 PRESSAVG: 1617600 0.514981 -9.44811 -6.04601 -9.44824 24.1101 5.66745 -6.04593 5.66732 -14.1824 GPRESSAVG: 1617600 0.810398 -7.77064 -7.33139 -10.3681 24.4471 8.22702 -4.91741 2.73946 -14.7514 TIMING: 1617600 CPU: 4875.67, 0.00305432/step Wall: 4875.67, 0.00305432/step, 2.8697 hours remaining, 209.046875 MB of memory in use. ENERGY: 1617600 744.8606 2126.5739 1906.1312 106.8701 -206683.6219 17808.5691 0.0000 0.0000 34357.4169 -149633.2001 300.0519 -183990.6170 -149533.3097 298.1833 -77.0625 -45.7894 556752.3769 3.4809 3.5020 PRESSURE: 1617800 -19.0314 170.727 58.5806 170.727 -336.771 112.984 58.5807 112.984 -17.0435 GPRESSURE: 1617800 -27.517 200.698 15.8177 115.939 -215.69 155.842 66.3419 52.0591 -42.4294 PRESSAVG: 1617800 9.73044 -29.472 -11.2096 -29.4719 44.2026 39.6228 -11.2096 39.6228 -21.9522 GPRESSAVG: 1617800 8.86859 -29.2465 -10.3796 -27.4937 44.4441 37.2241 -11.44 41.0985 -21.0471 TIMING: 1617800 CPU: 4876.28, 0.0030456/step Wall: 4876.28, 0.0030456/step, 2.86134 hours remaining, 209.046875 MB of memory in use. ENERGY: 1617800 763.8035 2116.2387 1929.4626 114.3456 -205912.0597 17517.2729 0.0000 0.0000 33900.6199 -149570.3165 296.0625 -183470.9364 -149479.9033 298.7785 -124.2820 -95.2120 557818.9403 10.6603 10.7552 PRESSURE: 1618000 38.7637 72.6485 -68.0309 72.6483 -94.4928 71.7759 -68.031 71.7783 -221.866 GPRESSURE: 1618000 125.728 122.238 59.2426 -13.2573 -97.4243 24.1149 -129.762 70.1344 -212.266 PRESSAVG: 1618000 75.5475 63.2027 -33.8293 63.2026 -51.1784 59.3225 -33.8293 59.3227 -32.0687 GPRESSAVG: 1618000 76.9429 63.5769 -32.2529 62.3107 -52.05 57.4617 -36.2319 60.8477 -32.1514 TIMING: 1618000 CPU: 4876.89, 0.00302914/step Wall: 4876.89, 0.00302914/step, 2.84571 hours remaining, 209.046875 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: 1618000 724.2342 2153.4800 1915.3660 108.4400 -206535.3175 17848.3084 0.0000 0.0000 34243.5968 -149541.8922 299.0578 -183785.4890 -149451.6540 298.3767 -92.5318 -61.3208 558579.8076 -2.5665 -2.4195 PRESSURE: 1618200 -148.669 -123.378 133.928 -123.378 -148.992 -135.995 133.928 -135.995 122.651 GPRESSURE: 1618200 -102.281 -98.3897 179.688 -133.357 -109.272 -111.432 108.194 -135.532 132.93 PRESSAVG: 1618200 -11.0224 39.8423 -7.85456 39.8423 -34.8873 -32.2074 -7.8546 -32.2073 27.1606 GPRESSAVG: 1618200 -10.9632 40.6147 -10.7223 39.7881 -34.9862 -30.2636 -4.45606 -33.0681 26.7613 TIMING: 1618200 CPU: 4877.49, 0.00300371/step Wall: 4877.49, 0.00300371/step, 2.82165 hours remaining, 209.046875 MB of memory in use. ENERGY: 1618200 760.3391 2091.4152 1937.0535 119.4763 -206495.9948 17967.8246 0.0000 0.0000 34192.9224 -149426.9637 298.6153 -183619.8861 -149325.9746 298.7786 -58.3368 -26.2077 557876.5349 -6.2497 -6.3960 PRESSURE: 1618400 -304.528 129.748 15.3836 129.748 -136.432 -133.65 15.3849 -133.65 -434.905 GPRESSURE: 1618400 -290.786 97.7106 -8.91426 246.168 -153.172 -171.442 1.58088 -80.6981 -343.157 PRESSAVG: 1618400 -61.8012 31.1035 40.6816 31.1035 43.502 -71.9636 40.6816 -71.9637 17.0535 GPRESSAVG: 1618400 -62.4016 28.1153 40.5702 33.0903 44.0823 -72.6676 40.7238 -72.368 16.8272 TIMING: 1618400 CPU: 4878.09, 0.00301787/step Wall: 4878.09, 0.00301787/step, 2.83479 hours remaining, 209.046875 MB of memory in use. ENERGY: 1618400 739.1619 2069.1356 1937.9069 119.3155 -205851.1553 17280.5753 0.0000 0.0000 34125.9239 -149579.1360 298.0302 -183705.0599 -149478.4046 299.0746 -291.9550 -262.3714 558371.4887 -0.4152 -0.4974 PRESSURE: 1618600 -151.055 -63.5267 -95.4244 -63.5274 -45.0274 106.539 -95.424 106.539 41.2701 GPRESSURE: 1618600 -146.762 -26.3511 -19.7416 -39.8312 -0.651925 83.337 -177.298 79.3408 93.337 PRESSAVG: 1618600 -56.5378 -37.5009 -24.0851 -37.5008 12.6225 -2.05841 -24.0851 -2.05836 66.3907 GPRESSAVG: 1618600 -56.9855 -37.2176 -21.2576 -39.177 12.7917 -0.194571 -25.8311 -2.8337 66.5636 TIMING: 1618600 CPU: 4878.69, 0.00300585/step Wall: 4878.69, 0.00300585/step, 2.82333 hours remaining, 209.046875 MB of memory in use. ENERGY: 1618600 740.4052 2059.2090 1924.4326 117.0856 -206276.7146 17783.4260 0.0000 0.0000 34139.5458 -149512.6105 298.1491 -183652.1563 -149410.7206 298.2097 -51.6041 -18.0256 557070.1956 7.4918 7.4566 PRESSURE: 1618800 -56.0106 115.003 53.8946 115.003 -0.331537 73.602 53.8957 73.6024 14.452 GPRESSURE: 1618800 -7.23145 182.116 163.964 120.622 -24.5367 11.1312 41.1238 98.5497 76.0414 PRESSAVG: 1618800 -37.2188 -7.22744 23.8604 -7.22746 30.5894 13.1521 23.8603 13.152 16.8907 GPRESSAVG: 1618800 -36.7476 -6.69258 23.7766 -6.37064 30.3348 10.7698 23.5215 14.1898 16.9105 TIMING: 1618800 CPU: 4879.3, 0.0030252/step Wall: 4879.3, 0.00302521/step, 2.84134 hours remaining, 209.046875 MB of memory in use. ENERGY: 1618800 727.9379 2056.5109 1943.3328 107.6984 -206436.6339 17782.4160 0.0000 0.0000 34211.7796 -149606.9583 298.7800 -183818.7379 -149514.1326 298.4520 -13.9634 14.7577 556432.8786 3.4204 3.4992 PRESSURE: 1619000 -176.332 -127.884 48.4178 -127.885 -246.402 65.606 48.4179 65.6064 34.0842 GPRESSURE: 1619000 -196.811 -79.9819 43.6741 -166.888 -190.371 84.7543 -7.40324 103.151 92.3684 PRESSAVG: 1619000 -34.4949 -56.0749 -6.14544 -56.075 -42.5211 -20.1911 -6.14546 -20.191 62.0782 GPRESSAVG: 1619000 -35.8004 -55.981 -9.49658 -56.4397 -41.5385 -18.7982 -3.42748 -21.4711 62.3518 TIMING: 1619000 CPU: 4879.91, 0.00306777/step Wall: 4879.91, 0.00306777/step, 2.88115 hours remaining, 209.046875 MB of memory in use. ENERGY: 1619000 763.1531 2060.7860 1927.1053 108.2200 -206062.1266 17611.5059 0.0000 0.0000 33950.4626 -149640.8936 296.4978 -183591.3563 -149551.2466 298.8212 -129.5499 -98.2714 557869.3424 -4.9793 -4.9957 PRESSURE: 1619200 -236.781 112.431 -193.975 112.432 305.367 87.9904 -193.976 87.9901 129.2 GPRESSURE: 1619200 -209.62 88.1252 -190.772 128.019 385.013 85.6641 -121.156 124.327 136.587 PRESSAVG: 1619200 -74.7331 18.3488 -33.1633 18.3488 51.8497 44.9331 -33.1632 44.9331 42.3701 GPRESSAVG: 1619200 -74.2315 17.973 -32.6155 18.8758 50.9833 43.4217 -32.5439 45.27 42.8682 TIMING: 1619200 CPU: 4880.53, 0.00306552/step Wall: 4880.53, 0.00306552/step, 2.87886 hours remaining, 209.046875 MB of memory in use. ENERGY: 1619200 755.4447 2085.5753 1902.3164 117.4990 -206115.6309 17780.7547 0.0000 0.0000 33950.3879 -149523.6528 296.4972 -183474.0407 -149429.1351 297.6888 65.9286 103.9934 556686.3341 6.4956 6.5400 PRESSURE: 1619400 75.8296 -73.4938 -5.81404 -73.4933 -330.579 43.9232 -5.81455 43.9254 -106.34 GPRESSURE: 1619400 117.169 -127.449 42.5008 -47.8 -286.276 141.974 -1.79919 -28.5741 -81.1105 PRESSAVG: 1619400 49.4271 52.8863 9.4627 52.8862 10.8428 -30.928 9.46272 -30.928 -23.8607 GPRESSAVG: 1619400 49.8248 52.5004 9.26998 53.2056 11.6504 -31.7377 6.68009 -31.3157 -24.9228 TIMING: 1619400 CPU: 4881.14, 0.0030769/step Wall: 4881.14, 0.0030769/step, 2.88938 hours remaining, 209.046875 MB of memory in use. ENERGY: 1619400 779.0297 2025.6414 1937.9840 105.6136 -206325.5375 17683.7751 0.0000 0.0000 34015.3412 -149778.1525 297.0644 -183793.4937 -149685.5884 297.3690 -120.3631 -83.4059 557095.0973 12.1364 12.1841 PRESSURE: 1619600 43.3508 -99.5788 -89.9471 -99.579 23.0014 -93.6596 -89.9484 -93.6622 11.4864 GPRESSURE: 1619600 78.2387 -39.6785 -9.67714 -90.6878 58.3706 -49.0426 -93.0501 -183.755 40.5161 PRESSAVG: 1619600 66.5508 11.4658 24.1496 11.4658 -59.1594 -11.7072 24.1496 -11.7072 23.4785 GPRESSAVG: 1619600 67.034 13.9363 25.7537 10.8052 -60.1463 -10.5694 24.7203 -11.3074 24.2103 TIMING: 1619600 CPU: 4881.75, 0.00304483/step Wall: 4881.75, 0.00304482/step, 2.85909 hours remaining, 209.046875 MB of memory in use. ENERGY: 1619600 722.9027 2076.1408 1942.8053 120.2861 -206401.9296 17879.4936 0.0000 0.0000 33956.2193 -149704.0818 296.5481 -183660.3011 -149608.1086 296.7816 25.9462 59.0418 557098.9774 10.2900 10.3660 PRESSURE: 1619800 66.7627 68.1829 -70.4843 68.183 117.256 62.044 -70.4846 62.0454 226.733 GPRESSURE: 1619800 126.211 9.7747 -116.654 152.907 131.601 50.1683 -79.1609 65.4906 248.477 PRESSAVG: 1619800 5.0714 13.1546 35.6692 13.1546 -11.2824 12.6213 35.6691 12.6214 -20.7938 GPRESSAVG: 1619800 4.62789 11.1718 36.0288 13.8192 -11.1995 11.5659 34.6841 12.8258 -20.2291 TIMING: 1619800 CPU: 4882.36, 0.00305771/step Wall: 4882.36, 0.00305771/step, 2.87102 hours remaining, 209.046875 MB of memory in use. ENERGY: 1619800 738.0483 2076.4295 1929.1595 113.1151 -206653.8123 18005.0359 0.0000 0.0000 34121.7600 -149670.2639 297.9938 -183792.0239 -149572.4490 297.1398 136.9173 168.7629 556468.6640 -9.0016 -8.9335 PRESSURE: 1620000 89.8503 -14.4285 27.9491 -14.4284 -316.674 12.5144 27.95 12.5155 7.17863 GPRESSURE: 1620000 116.118 -32.8857 122.947 35.1949 -285.538 21.629 -13.7986 -14.5432 46.561 PRESSAVG: 1620000 19.193 -17.2603 -12.4415 -17.2604 19.952 -44.3793 -12.4414 -44.3793 -33.4556 GPRESSAVG: 1620000 18.8627 -17.7705 -12.7212 -19.5274 20.1203 -41.6823 -10.825 -44.6472 -33.6922 TIMING: 1620000 CPU: 4882.96, 0.00301437/step Wall: 4882.96, 0.00301437/step, 2.83016 hours remaining, 209.046875 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: 1620000 758.4192 2089.3564 1935.5124 107.8379 -206655.3088 18003.1984 0.0000 0.0000 34198.5111 -149562.4733 298.6641 -183760.9845 -149471.9130 297.7939 -73.2152 -40.9529 556914.0349 1.8965 1.7636 PRESSURE: 1620200 174.267 14.9938 182.78 14.9942 -76.0741 49.4459 182.778 49.4453 -153.188 GPRESSURE: 1620200 171.756 -36.7796 230.759 112.775 -32.1558 -27.5017 156.867 137.881 -95.4903 PRESSAVG: 1620200 23.404 37.1861 20.0282 37.1861 63.9566 13.7976 20.0282 13.7976 -43.6687 GPRESSAVG: 1620200 24.4448 38.0313 20.3148 39.4629 62.9584 11.7225 17.8897 16.4676 -44.0364 TIMING: 1620200 CPU: 4883.57, 0.00302628/step Wall: 4883.57, 0.00302628/step, 2.84117 hours remaining, 209.046875 MB of memory in use. ENERGY: 1620200 750.7761 2115.9122 1907.2778 118.4835 -206465.4610 17823.9165 0.0000 0.0000 34030.2499 -149718.8451 297.1946 -183749.0950 -149621.5470 298.4610 -18.3316 14.7033 557833.7868 14.5640 14.4556 LDB: ============= START OF LOAD BALANCING ============== 4887.09 LDB: ============== END OF LOAD BALANCING =============== 4887.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4887.09 LDB: ============= START OF LOAD BALANCING ============== 4887.39 LDB: Largest compute 4800 load 0.032166 is 27.3% of average load 0.117941 LDB: Average compute 0.001736 is 1.5% of average load 0.117941 LDB: TIME 4887.4 LOAD: AVG 0.117941 MAX 0.223492 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.758 MB LDB: TIME 4887.4 LOAD: AVG 0.117941 MAX 0.223492 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.758 MB LDB: TIME 4887.4 LOAD: AVG 0.117941 MAX 0.223492 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.758 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4887.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4887.4 PRESSURE: 1620400 -8.34805 -40.6333 -110.147 -40.6327 17.9725 39.3872 -110.147 39.3863 22.0973 GPRESSURE: 1620400 -3.3382 -87.089 -134.793 -26.1456 91.2111 32.5401 -156.124 75.4717 57.1152 PRESSAVG: 1620400 -1.76743 26.5221 4.28 26.5222 18.554 31.2018 4.28005 31.2017 -24.234 GPRESSAVG: 1620400 -1.56661 27.2442 2.66327 24.2219 18.3033 31.4941 7.03028 28.5125 -24.0235 TIMING: 1620400 CPU: 4884.19, 0.00308455/step Wall: 4884.19, 0.00308455/step, 2.89571 hours remaining, 207.179688 MB of memory in use. ENERGY: 1620400 781.9878 2060.2024 1925.8700 121.1349 -206885.5079 18062.9243 0.0000 0.0000 34191.1437 -149742.2447 298.5998 -183933.3885 -149646.9798 297.5478 10.5739 48.3293 557042.5027 -2.4825 -2.4290 PRESSURE: 1620600 -90.6426 -142.738 32.9891 -142.74 -98.0739 -54.8122 32.9889 -54.8124 -313.403 GPRESSURE: 1620600 7.98174 -147.976 132.355 -82.7439 -136.059 5.02337 32.8528 43.7843 -290.855 PRESSAVG: 1620600 -46.0619 -53.2111 -20.4082 -53.2111 11.4056 8.69512 -20.4082 8.695 22.5243 GPRESSAVG: 1620600 -46.5691 -56.302 -19.1214 -50.8497 10.9779 8.37336 -21.6461 10.2117 23.2945 TIMING: 1620600 CPU: 4884.79, 0.00302762/step Wall: 4884.79, 0.00302762/step, 2.84209 hours remaining, 207.382812 MB of memory in use. ENERGY: 1620600 722.0909 2050.4339 1917.8866 126.1654 -206449.0814 17666.2092 0.0000 0.0000 34033.9246 -149932.3707 297.2267 -183966.2953 -149834.1407 297.2674 -167.3732 -139.6440 558419.9135 -4.0440 -4.0989 PRESSURE: 1620800 44.7568 -119.24 99.0628 -119.24 143.005 46.6432 99.0619 46.6444 42.6682 GPRESSURE: 1620800 56.5807 -99.3604 93.3005 -62.9507 173.876 58.9075 151.196 -44.5504 89.6435 PRESSAVG: 1620800 -50.6008 -37.9193 61.3654 -37.9192 -48.5814 18.6158 61.3653 18.6158 30.5885 GPRESSAVG: 1620800 -50.4833 -34.2783 61.6535 -39.9941 -47.2254 19.6315 63.5099 18.2188 29.3271 TIMING: 1620800 CPU: 4885.4, 0.00305767/step Wall: 4885.4, 0.00305767/step, 2.87013 hours remaining, 207.382812 MB of memory in use. ENERGY: 1620800 726.3676 2035.4615 1901.2908 105.8586 -206967.3877 18164.8072 0.0000 0.0000 34139.0659 -149894.5361 298.1450 -184033.6020 -149799.6582 297.1678 76.8101 106.7001 558052.9636 -22.8645 -22.7939 PRESSURE: 1621000 -1.14379 25.837 -48.6892 25.8362 91.9892 -40.0101 -48.6885 -40.0104 -17.8532 GPRESSURE: 1621000 2.79305 6.95656 -54.7767 46.7331 134.115 -66.4968 -5.53825 -50.2181 36.6192 PRESSAVG: 1621000 -5.81061 -38.5363 22.7029 -38.5362 -4.79409 -18.272 22.7031 -18.2718 -10.6885 GPRESSAVG: 1621000 -5.9449 -40.7424 24.0909 -36.6672 -4.42824 -19.5231 22.094 -18.3818 -10.2506 TIMING: 1621000 CPU: 4886.01, 0.00302708/step Wall: 4886.01, 0.00302708/step, 2.84125 hours remaining, 207.382812 MB of memory in use. ENERGY: 1621000 737.1818 2049.0553 1952.7411 123.9042 -206699.8048 18012.1064 0.0000 0.0000 34063.5849 -149761.2312 297.4858 -183824.8161 -149672.7181 297.1639 24.3307 57.8426 557894.9920 -7.0977 -6.8746 PRESSURE: 1621200 62.1175 -79.4535 92.2699 -79.4535 -68.5822 -130.562 92.2701 -130.564 155.469 GPRESSURE: 1621200 43.2047 -92.2158 20.4668 -92.2966 -24.5285 -195.262 181.501 -155.362 220.561 PRESSAVG: 1621200 17.2893 -46.4714 8.21693 -46.4713 -27.6902 -54.6218 8.21692 -54.6219 -0.13906 GPRESSAVG: 1621200 15.8409 -45.6466 7.57464 -46.2633 -28.4591 -52.6525 7.45407 -54.1833 2.32719 TIMING: 1621200 CPU: 4886.61, 0.00302679/step Wall: 4886.61, 0.00302679/step, 2.84081 hours remaining, 207.382812 MB of memory in use. ENERGY: 1621200 693.7587 2111.5144 1946.4931 107.2181 -206479.1807 17918.5154 0.0000 0.0000 33991.6630 -149710.0181 296.8576 -183701.6811 -149614.7361 297.4279 49.6682 79.7456 559159.5535 -3.5134 -3.4304 PRESSURE: 1621400 -18.6261 53.4106 52.0347 53.4124 -107.294 -70.3378 52.0332 -70.3386 6.9233 GPRESSURE: 1621400 20.5103 105.055 -17.9879 40.2503 -40.2053 -24.6183 96.9046 -81.6835 12.2772 PRESSAVG: 1621400 23.2677 -6.30043 -6.58542 -6.30042 -21.3214 -23.2877 -6.58542 -23.2876 37.8362 GPRESSAVG: 1621400 24.777 -5.91034 -6.95872 -8.25007 -21.5024 -25.1016 -7.32051 -22.6402 36.0046 TIMING: 1621400 CPU: 4887.21, 0.00299989/step Wall: 4887.21, 0.00299989/step, 2.8154 hours remaining, 207.382812 MB of memory in use. ENERGY: 1621400 714.8730 2080.5932 1917.6837 105.4108 -206518.7909 17941.6099 0.0000 0.0000 34050.6927 -149707.9278 297.3732 -183758.6205 -149613.4397 297.0913 -39.6655 -2.4726 558486.2216 13.2608 13.0930 PRESSURE: 1621600 -98.3502 74.0447 38.0813 74.0452 -102.94 -60.0562 38.0821 -60.057 89.5204 GPRESSURE: 1621600 -54.1428 -4.74953 6.56477 91.4763 -76.6523 -112.162 -30.3326 -132.393 113.369 PRESSAVG: 1621600 24.6324 -41.8079 17.465 -41.8079 -83.4513 -22.0896 17.4649 -22.0896 80.1344 GPRESSAVG: 1621600 23.232 -43.8145 16.9905 -40.2127 -82.5652 -20.9012 17.4956 -22.715 80.2215 TIMING: 1621600 CPU: 4887.82, 0.00301142/step Wall: 4887.82, 0.00301142/step, 2.82605 hours remaining, 207.382812 MB of memory in use. ENERGY: 1621600 733.7455 2086.2223 1935.5464 115.6100 -206185.4238 17594.8884 0.0000 0.0000 34048.6291 -149670.7821 297.3551 -183719.4112 -149574.1166 296.6541 -37.2564 -5.8086 556600.5172 7.1052 6.9628 PRESSURE: 1621800 13.0481 63.9716 15.6061 63.9725 -21.6872 205.98 15.6063 205.98 -126.145 GPRESSURE: 1621800 36.5361 42.2448 -48.4291 72.6567 19.1435 188.522 5.53199 234.717 -93.0732 PRESSAVG: 1621800 13.2555 28.5062 58.4455 28.5062 -38.9754 -24.2408 58.4455 -24.2409 53.5959 GPRESSAVG: 1621800 14.4642 30.7334 58.0845 28.0619 -39.9951 -25.4818 59.2068 -22.2614 53.0503 TIMING: 1621800 CPU: 4888.42, 0.00299596/step Wall: 4888.42, 0.00299596/step, 2.81137 hours remaining, 207.382812 MB of memory in use. ENERGY: 1621800 749.9606 2053.7435 1934.3505 121.2111 -206687.3485 17985.9760 0.0000 0.0000 34196.1086 -149645.9981 298.6431 -183842.1067 -149550.4103 297.5416 -44.9279 -12.4645 557757.5481 9.2920 9.1731 PRESSURE: 1622000 -134.575 -110.555 -18.5166 -110.554 -61.9677 -26.3985 -18.5171 -26.399 -49.3256 GPRESSURE: 1622000 -122.434 -90.3719 64.2968 -35.279 -38.6397 -46.5792 -86.4615 -135.902 3.9984 PRESSAVG: 1622000 -14.6892 34.4126 -19.4699 34.4126 -33.6913 -11.9899 -19.4699 -11.9899 25.7186 GPRESSAVG: 1622000 -15.5288 34.5109 -18.3605 34.3843 -33.3614 -12.2873 -21.4073 -14.5989 26.5124 TIMING: 1622000 CPU: 4889.02, 0.00300185/step Wall: 4889.02, 0.00300185/step, 2.81674 hours remaining, 207.382812 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: 1622000 760.1687 2023.7451 1936.0696 109.3725 -206036.9040 17671.6334 0.0000 0.0000 34109.7608 -149426.1539 297.8890 -183535.9147 -149329.7620 298.1998 -81.9561 -52.3583 558494.4037 -7.5540 -7.4593 PRESSURE: 1622200 -35.0505 50.7982 -88.3099 50.7982 199.336 0.053064 -88.3098 0.0530927 -289.294 GPRESSURE: 1622200 31.6049 47.9072 -162.932 0.0457758 210.939 -17.6453 11.8792 24.9362 -267.966 PRESSAVG: 1622200 -11.1868 -15.2509 -23.9974 -15.2509 7.08424 -7.95782 -23.9974 -7.95786 6.13546 GPRESSAVG: 1622200 -10.6786 -14.4879 -24.3817 -18.1275 8.15306 -8.94711 -22.2327 -6.7255 5.24731 TIMING: 1622200 CPU: 4889.62, 0.003004/step Wall: 4889.62, 0.003004/step, 2.81859 hours remaining, 207.382812 MB of memory in use. ENERGY: 1622200 741.1082 2025.0201 1937.1374 103.7343 -206433.0118 17789.5892 0.0000 0.0000 34399.8224 -149436.6003 300.4222 -183836.4226 -149338.0092 298.5201 -41.6695 -8.4742 556777.1496 0.6776 0.9073 PRESSURE: 1622400 -140.114 173.869 44.9713 173.869 -249.698 -141.37 44.9722 -141.37 -89.5299 GPRESSURE: 1622400 -116.884 88.3827 78.323 184.48 -174.146 -197.339 36.2528 -192.266 -101.056 PRESSAVG: 1622400 -59.5023 31.8869 -28.1018 31.8869 61.6696 -30.3623 -28.1017 -30.3623 -7.44018 GPRESSAVG: 1622400 -60.2401 28.7783 -27.0769 36.9824 61.3644 -30.5948 -29.2213 -30.9013 -6.16099 TIMING: 1622400 CPU: 4890.22, 0.0030308/step Wall: 4890.22, 0.0030308/step, 2.84356 hours remaining, 207.382812 MB of memory in use. ENERGY: 1622400 767.4777 2062.8642 1937.0594 107.8822 -206388.8311 17755.9850 0.0000 0.0000 34301.1750 -149456.3875 299.5607 -183757.5624 -149364.9283 298.3138 -159.7805 -130.6953 557171.0910 -1.7576 -1.6789 PRESSURE: 1622600 -24.9432 102.133 132.789 102.133 55.2335 134.353 132.79 134.353 -20.0576 GPRESSURE: 1622600 -52.0044 35.9697 112.538 193.037 56.1741 125.707 93.2221 97.588 105.82 PRESSAVG: 1622600 21.8242 26.4791 -49.6981 26.479 -23.5698 29.2262 -49.6979 29.2262 21.9785 GPRESSAVG: 1622600 22.5376 29.2448 -52.195 24.179 -22.9058 30.3085 -49.4876 28.9727 21.4132 TIMING: 1622600 CPU: 4890.84, 0.00306016/step Wall: 4890.84, 0.00306016/step, 2.87094 hours remaining, 207.382812 MB of memory in use. ENERGY: 1622600 778.5508 2117.6917 1933.4833 109.6714 -206248.0189 17629.3226 0.0000 0.0000 34146.0591 -149533.2400 298.2060 -183679.2991 -149439.4017 297.7964 3.4109 36.6632 556589.7030 6.7443 7.0150 PRESSURE: 1622800 -352.6 66.2568 44.8769 66.2556 14.7164 10.6274 44.8766 10.6255 122.212 GPRESSURE: 1622800 -234.391 89.4193 94.1902 57.1006 28.8184 43.3352 63.101 8.38497 80.1022 PRESSAVG: 1622800 -24.5862 -52.1967 -30.6452 -52.1967 -44.1047 6.5423 -30.6452 6.54226 19.0902 GPRESSAVG: 1622800 -25.9472 -54.3971 -28.2083 -52.2403 -43.9512 7.42835 -30.5573 6.05978 19.8632 TIMING: 1622800 CPU: 4891.45, 0.00306053/step Wall: 4891.45, 0.00306053/step, 2.87112 hours remaining, 207.382812 MB of memory in use. ENERGY: 1622800 733.2693 2080.8551 1963.5578 120.1149 -206118.3851 17700.7781 0.0000 0.0000 34003.1379 -149516.6721 296.9579 -183519.8099 -149423.7750 297.6060 -71.8907 -41.8234 558055.0785 -16.5336 -16.6784 PRESSURE: 1623000 -221.987 -3.51 -19.6989 -3.50966 -119.188 -41.9484 -19.698 -41.9502 -95.8765 GPRESSURE: 1623000 -212.063 10.4061 -28.141 42.4503 -95.6811 -59.9778 -32.3782 -28.6718 -50.0844 PRESSAVG: 1623000 -13.3959 7.93515 33.8996 7.93508 -13.252 10.3454 33.8996 10.3452 63.7274 GPRESSAVG: 1623000 -12.5676 9.27713 33.6282 9.81861 -13.5307 9.00371 34.9378 11.711 62.8384 TIMING: 1623000 CPU: 4892.06, 0.00305932/step Wall: 4892.06, 0.00305932/step, 2.86982 hours remaining, 207.382812 MB of memory in use. ENERGY: 1623000 785.4604 2108.6202 1925.4970 120.9415 -206591.6275 17834.5237 0.0000 0.0000 34044.9270 -149771.6577 297.3228 -183816.5847 -149673.9212 298.1440 -145.6838 -119.2763 558255.2171 12.3598 12.2467 PRESSURE: 1623200 57.0443 141.244 27.5857 141.244 -15.181 -95.1732 27.5847 -95.1754 19.4787 GPRESSURE: 1623200 87.0835 131.904 34.1625 27.9184 -27.493 -65.3784 -57.2134 -71.0811 107.545 PRESSAVG: 1623200 -17.7543 -15.3138 -0.608894 -15.3139 -33.2463 -8.80002 -0.608885 -8.80011 35.2493 GPRESSAVG: 1623200 -17.2043 -15.477 -0.00502983 -16.3761 -34.0998 -7.48992 -1.36697 -10.5687 35.2021 TIMING: 1623200 CPU: 4892.67, 0.00304805/step Wall: 4892.67, 0.00304805/step, 2.85907 hours remaining, 207.382812 MB of memory in use. ENERGY: 1623200 750.1015 2058.0085 1934.6675 102.2575 -206345.5280 17842.6500 0.0000 0.0000 34096.4451 -149561.3979 297.7727 -183657.8430 -149472.5398 297.5740 20.4473 55.7118 556346.6958 -5.2504 -5.3674 PRESSURE: 1623400 -182.967 148.561 -66.5119 148.563 -154.853 59.3518 -66.5119 59.3518 50.151 GPRESSURE: 1623400 -103.713 146.589 -101.658 129.594 -133.231 11.4136 -40.6792 55.5979 45.0882 PRESSAVG: 1623400 4.9121 5.29962 -48.0259 5.29965 31.2873 -7.1983 -48.0259 -7.19817 -9.38649 GPRESSAVG: 1623400 3.5367 4.91844 -48.4133 5.39619 31.4587 -9.60114 -49.8639 -3.72845 -8.58096 TIMING: 1623400 CPU: 4893.28, 0.00307454/step Wall: 4893.28, 0.00307454/step, 2.88375 hours remaining, 207.382812 MB of memory in use. ENERGY: 1623400 752.7510 2036.5586 1918.7571 96.7383 -206577.7134 17884.3443 0.0000 0.0000 34321.9377 -149566.6265 299.7420 -183888.5641 -149464.1066 298.2175 -95.8894 -63.9520 556962.4004 8.9376 8.8048 PRESSURE: 1623600 77.9611 48.8168 39.5751 48.8188 -142.122 60.7365 39.5748 60.7368 -21.0246 GPRESSURE: 1623600 125.838 102.876 4.91186 40.0857 -102.544 60.9229 76.5107 26.6764 -3.27209 PRESSAVG: 1623600 -0.495205 51.1447 23.3293 51.1447 -56.2233 26.6103 23.3293 26.6103 43.2716 GPRESSAVG: 1623600 0.224103 51.7318 21.932 50.6969 -55.7728 28.9443 25.3184 23.4335 42.9563 TIMING: 1623600 CPU: 4893.89, 0.00304482/step Wall: 4893.89, 0.00304482/step, 2.8557 hours remaining, 207.382812 MB of memory in use. ENERGY: 1623600 699.3965 2104.2991 1928.9901 107.6568 -205986.7522 17653.0219 0.0000 0.0000 34258.7468 -149234.6410 299.1902 -183493.3878 -149135.0287 298.1896 -28.3953 6.6740 556849.8922 -4.4823 -4.1975 PRESSURE: 1623800 -264.565 -33.6241 210.024 -33.6236 188.507 159.454 210.025 159.456 27.6538 GPRESSURE: 1623800 -236.556 -29.9346 143.911 -84.2404 215.321 322.038 163.203 107.778 68.5204 PRESSAVG: 1623800 14.8288 -19.1555 33.5997 -19.1555 -25.2729 -16.6206 33.5997 -16.6206 17.982 GPRESSAVG: 1623800 14.6474 -20.1584 35.6748 -16.5769 -24.5121 -15.9252 31.1026 -14.9665 17.1929 TIMING: 1623800 CPU: 4894.5, 0.00305108/step Wall: 4894.5, 0.00305108/step, 2.8614 hours remaining, 207.382812 MB of memory in use. ENERGY: 1623800 732.0609 2098.4547 1913.0023 112.9031 -206225.4662 17898.0479 0.0000 0.0000 34282.2979 -149188.6995 299.3958 -183470.9974 -149082.7606 299.2777 -16.1348 15.7617 558650.0366 2.5126 2.4427 PRESSURE: 1624000 -177.316 84.8397 212.754 84.8396 31.6005 -63.7296 212.754 -63.7284 81.3486 GPRESSURE: 1624000 -118.249 16.0491 193.59 126.15 54.1982 -51.5157 273.299 -100.546 108.176 PRESSAVG: 1624000 -51.5428 5.5743 66.751 5.57428 6.06044 10.887 66.751 10.8872 31.0464 GPRESSAVG: 1624000 -52.2198 6.49545 65.5813 4.00134 4.6251 8.74733 67.6336 11.185 32.2073 TIMING: 1624000 CPU: 4895.11, 0.0030306/step Wall: 4895.11, 0.0030306/step, 2.84203 hours remaining, 207.382812 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: 1624000 744.6909 2113.3244 1910.5962 101.6270 -206271.3193 17736.4836 0.0000 0.0000 34471.1694 -149193.4279 301.0453 -183664.5973 -149093.8299 298.9367 -21.4556 14.7085 558241.7884 -4.8120 -5.1291 PRESSURE: 1624200 5.15796 -120.207 -35.3662 -120.206 -327.036 -228.884 -35.3644 -228.885 -322.845 GPRESSURE: 1624200 15.3683 -71.0752 -19.6684 -47.195 -326.958 -221.072 -98.2934 -219.744 -222.985 PRESSAVG: 1624200 -40.6337 -60.6936 11.436 -60.6937 8.26191 13.8282 11.436 13.8282 41.0736 GPRESSAVG: 1624200 -39.2591 -59.5742 12.6714 -62.2752 8.54144 13.6636 11.3018 13.4788 39.9081 TIMING: 1624200 CPU: 4895.72, 0.00304926/step Wall: 4895.72, 0.00304926/step, 2.85936 hours remaining, 207.382812 MB of memory in use. ENERGY: 1624200 724.5997 2096.7221 1933.3646 112.2685 -205934.7182 17662.4687 0.0000 0.0000 34222.2224 -149183.0721 298.8712 -183405.2946 -149088.4272 299.2691 -214.9076 -178.1915 559513.3370 2.9006 3.0635 LDB: ============= START OF LOAD BALANCING ============== 4899.24 LDB: ============== END OF LOAD BALANCING =============== 4899.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4899.25 LDB: ============= START OF LOAD BALANCING ============== 4899.55 LDB: Largest compute 4800 load 0.032575 is 27.6% of average load 0.117910 LDB: Average compute 0.001734 is 1.5% of average load 0.117910 LDB: TIME 4899.56 LOAD: AVG 0.11791 MAX 0.22491 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.719 MB LDB: TIME 4899.56 LOAD: AVG 0.11791 MAX 0.22491 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.953 MB LDB: TIME 4899.56 LOAD: AVG 0.11791 MAX 0.22491 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.953 MB LDB: ============== END OF LOAD BALANCING =============== 4899.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4899.56 PRESSURE: 1624400 74.9372 -86.5854 -50.7206 -86.5855 -50.8296 20.7811 -50.7203 20.7798 -188.231 GPRESSURE: 1624400 144.033 -108.802 -31.923 -38.5954 -75.3191 25.409 -19.4091 43.8416 -125.582 PRESSAVG: 1624400 -29.8088 -10.3387 -26.1832 -10.3387 9.05619 -29.018 -26.1832 -29.0181 30.43 GPRESSAVG: 1624400 -29.5616 -9.62747 -28.0514 -9.71037 8.12223 -27.0424 -24.5948 -30.2376 31.0279 TIMING: 1624400 CPU: 4896.34, 0.00313072/step Wall: 4896.34, 0.00313072/step, 2.93557 hours remaining, 207.308594 MB of memory in use. ENERGY: 1624400 748.5892 2116.8371 1909.7505 102.4539 -206084.5377 17835.5132 0.0000 0.0000 33986.7255 -149384.6683 296.8145 -183371.3937 -149282.7939 298.6741 -54.7079 -18.9562 559043.9466 3.2258 3.1962 PRESSURE: 1624600 -177.633 -92.6945 -27.524 -92.6959 -34.6227 -37.6776 -27.5241 -37.6789 -175.672 GPRESSURE: 1624600 -124.046 -86.2324 -124.36 -98.8794 9.46519 -43.4613 37.5847 -50.9034 -170.541 PRESSAVG: 1624600 -17.1813 19.6991 -40.3445 19.6991 50.6639 -48.6791 -40.3445 -48.679 -49.8981 GPRESSAVG: 1624600 -17.9082 18.4462 -40.0784 19.9163 52.3777 -48.2899 -40.3895 -47.7721 -50.8514 TIMING: 1624600 CPU: 4896.96, 0.00305463/step Wall: 4896.96, 0.00305463/step, 2.86405 hours remaining, 207.308594 MB of memory in use. ENERGY: 1624600 776.2578 2065.1072 1922.5724 111.3469 -206305.3369 17749.8434 0.0000 0.0000 34350.6722 -149329.5370 299.9930 -183680.2091 -149229.8429 298.4534 -129.3092 -95.0405 556774.7183 -5.4718 -5.4606 PRESSURE: 1624800 -205.666 -106.127 89.1006 -106.127 178.02 -28.3479 89.1007 -28.3489 151.943 GPRESSURE: 1624800 -193.828 -91.1279 161.603 -237.391 196.268 12.9784 15.7306 -32.5959 217.529 PRESSAVG: 1624800 -59.0927 -63.8531 -15.8038 -63.853 25.5772 21.308 -15.8037 21.308 19.5801 GPRESSAVG: 1624800 -58.2676 -63.324 -14.6802 -64.7979 24.7552 20.8897 -16.9035 21.2338 19.1208 TIMING: 1624800 CPU: 4897.57, 0.00308007/step Wall: 4897.57, 0.00308007/step, 2.88774 hours remaining, 207.308594 MB of memory in use. ENERGY: 1624800 707.5014 2053.1421 1933.5041 112.5239 -206293.8411 17843.8673 0.0000 0.0000 34149.5280 -149493.7743 298.2363 -183643.3023 -149402.8223 298.9016 41.4321 73.3232 557213.8666 -4.6451 -4.7972 PRESSURE: 1625000 -15.0543 -29.4686 93.7328 -29.4681 -61.2905 142.673 93.7341 142.674 93.0022 GPRESSURE: 1625000 -1.55438 -52.7617 84.881 -2.3322 19.1999 37.8666 84.9516 151.681 96.5073 PRESSAVG: 1625000 2.22348 -23.7091 -13.7101 -23.7093 6.12969 -14.8388 -13.71 -14.8388 16.5656 GPRESSAVG: 1625000 1.41361 -23.2828 -15.5207 -22.9224 6.4454 -15.7758 -13.8079 -16.6222 17.022 TIMING: 1625000 CPU: 4898.19, 0.00309288/step Wall: 4898.19, 0.00309288/step, 2.89958 hours remaining, 207.433594 MB of memory in use. ENERGY: 1625000 743.0921 2019.1176 1946.1772 105.5387 -206311.5706 17943.0990 0.0000 0.0000 34225.0648 -149329.4813 298.8960 -183554.5460 -149236.4386 298.8137 5.5525 38.0509 557740.9090 8.3063 8.2937 PRESSURE: 1625200 -61.8859 -74.8574 14.901 -74.8572 -15.4175 9.75453 14.9021 9.75498 -166.811 GPRESSURE: 1625200 -52.3038 -118.474 23.9528 -94.7378 47.8979 35.2215 26.2073 1.17089 -149.626 PRESSAVG: 1625200 -7.50837 -36.111 -47.7711 -36.1111 8.72031 67.2347 -47.771 67.2349 -36.986 GPRESSAVG: 1625200 -7.83768 -37.3377 -46.1862 -36.543 8.55884 67.5245 -48.687 67.905 -37.4872 TIMING: 1625200 CPU: 4898.8, 0.00305388/step Wall: 4898.8, 0.00305388/step, 2.86284 hours remaining, 207.433594 MB of memory in use. ENERGY: 1625200 741.4004 2099.8570 1926.2336 115.2082 -206247.4286 17855.8033 0.0000 0.0000 34094.8857 -149414.0405 297.7591 -183508.9263 -149317.5862 298.7461 -81.3716 -51.3440 558424.1803 -11.9247 -12.2554 PRESSURE: 1625400 66.319 21.4907 56.5668 21.4895 38.2334 49.1267 56.5677 49.127 -86.154 GPRESSURE: 1625400 116.39 84.8331 -1.18196 -66.3167 98.0746 98.2804 84.8657 69.8411 -92.9103 PRESSAVG: 1625400 8.10196 -11.0171 35.9339 -11.0172 -0.617026 45.877 35.934 45.8771 -17.8572 GPRESSAVG: 1625400 8.37282 -9.10395 35.2617 -13.2357 -0.751712 44.499 36.1023 47.1813 -17.8855 TIMING: 1625400 CPU: 4899.42, 0.00307859/step Wall: 4899.42, 0.00307859/step, 2.88584 hours remaining, 207.433594 MB of memory in use. ENERGY: 1625400 719.0674 2098.9025 1919.3868 104.6107 -206181.8668 17768.3496 0.0000 0.0000 34191.8812 -149379.6686 298.6062 -183571.5498 -149285.0574 298.5974 6.1328 40.5180 557836.6319 -3.4574 -3.4215 PRESSURE: 1625600 -62.6784 -21.7818 104.832 -21.7815 -183.122 -45.422 104.832 -45.4224 -91.6833 GPRESSURE: 1625600 -32.1624 -2.96551 39.6164 -2.72973 -124.049 -11.9319 147.847 -4.87702 -96.2478 PRESSAVG: 1625600 39.7846 -37.2069 -2.29253 -37.207 4.60944 -19.3635 -2.2925 -19.3634 -57.2993 GPRESSAVG: 1625600 39.3726 -39.696 -4.42918 -34.396 4.16359 -18.6903 -0.323756 -20.4576 -57.3314 TIMING: 1625600 CPU: 4900.03, 0.00307005/step Wall: 4900.03, 0.00307005/step, 2.87766 hours remaining, 207.433594 MB of memory in use. ENERGY: 1625600 750.0301 2118.0685 1953.6059 98.9801 -206213.9757 17690.8981 0.0000 0.0000 34199.4545 -149402.9387 298.6723 -183602.3931 -149298.0937 298.1508 -112.4946 -84.1530 558206.7189 -4.3017 -4.5984 PRESSURE: 1625800 53.6563 217.502 100.849 217.5 158.582 -256.871 100.85 -256.871 194.936 GPRESSURE: 1625800 85.4225 193.929 61.7389 212.268 153.285 -266.749 80.923 -267.031 264.3 PRESSAVG: 1625800 -10.8634 -7.81279 35.0669 -7.81287 59.3618 1.64363 35.0668 1.64355 -32.5781 GPRESSAVG: 1625800 -10.1112 -8.10238 38.5855 -6.8997 59.3976 1.67213 33.55 0.385007 -33.4421 TIMING: 1625800 CPU: 4900.65, 0.00307255/step Wall: 4900.65, 0.00307255/step, 2.87983 hours remaining, 207.433594 MB of memory in use. ENERGY: 1625800 710.4107 2143.5798 1934.9131 104.8328 -206387.9616 17851.0630 0.0000 0.0000 34324.4404 -149318.7218 299.7639 -183643.1622 -149220.1833 298.8160 135.7248 167.6690 555132.6029 5.3067 5.2814 PRESSURE: 1626000 180.288 23.3676 193.979 23.3674 -83.7927 83.9105 193.979 83.9093 85.1158 GPRESSURE: 1626000 221.253 -74.1492 222.404 22.2108 -28.3718 49.4643 172.407 48.9991 97.2116 PRESSAVG: 1626000 20.0398 28.9974 1.22507 28.9975 -23.8815 -5.89556 1.225 -5.89552 34.6908 GPRESSAVG: 1626000 18.4609 31.6819 0.991933 26.6234 -24.6399 -6.31472 3.5416 -4.66072 36.6342 TIMING: 1626000 CPU: 4901.26, 0.00306168/step Wall: 4901.26, 0.00306168/step, 2.86948 hours remaining, 207.433594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1626000 711.3068 2095.1470 1916.7621 112.0590 -206495.5818 17867.5018 0.0000 0.0000 34436.2513 -149356.5538 300.7403 -183792.8051 -149254.6914 299.2533 60.5371 96.6976 556285.8793 10.2830 10.1518 PRESSURE: 1626200 298.433 9.00712 104.658 9.00595 -147.244 78.8645 104.658 78.865 46.8978 GPRESSURE: 1626200 355.466 53.92 -3.59164 10.9403 -112.438 23.6267 217.864 47.0431 58.3406 PRESSAVG: 1626200 60.8374 25.1282 1.98246 25.1282 19.0062 -16.7869 1.98257 -16.7868 -63.0861 GPRESSAVG: 1626200 61.0434 24.5257 1.26465 26.9468 19.6841 -14.9403 1.06142 -15.7711 -64.2025 TIMING: 1626200 CPU: 4901.87, 0.00303839/step Wall: 4901.87, 0.00303839/step, 2.84748 hours remaining, 207.433594 MB of memory in use. ENERGY: 1626200 717.4302 2095.2865 1953.4068 111.2267 -206308.9438 17883.9845 0.0000 0.0000 34112.3452 -149435.2639 297.9116 -183547.6091 -149344.8365 299.3282 66.0289 100.4562 557246.9686 5.5859 5.5084 PRESSURE: 1626400 60.0023 19.4602 125.011 19.4587 -1.60684 -132.411 125.011 -132.412 197.981 GPRESSURE: 1626400 99.2825 80.3009 116.655 18.8462 24.9133 -85.7992 82.7808 -110.628 234.35 PRESSAVG: 1626400 -11.2069 -11.2503 46.3955 -11.2503 30.0404 19.8223 46.3956 19.8223 -23.9491 GPRESSAVG: 1626400 -12.6565 -13.0221 46.1218 -11.9393 30.2975 21.6233 45.2821 19.4737 -23.0898 TIMING: 1626400 CPU: 4902.48, 0.00306414/step Wall: 4902.48, 0.00306414/step, 2.87144 hours remaining, 207.433594 MB of memory in use. ENERGY: 1626400 723.0930 2131.3955 1922.9223 113.3624 -206476.2081 17980.0046 0.0000 0.0000 34354.0602 -149251.3702 300.0226 -183605.4304 -149157.3560 298.7264 85.4589 119.5154 557427.1901 -1.7052 -1.8163 PRESSURE: 1626600 310.151 25.1486 86.6083 25.1482 -141.568 100.629 86.6102 100.631 -5.50399 GPRESSURE: 1626600 360.564 5.38644 26.3334 49.1247 -101.197 146.921 38.0634 27.3984 8.11809 PRESSAVG: 1626600 29.1441 -38.9111 -3.6192 -38.9112 -61.3082 -3.52194 -3.61918 -3.52186 23.3508 GPRESSAVG: 1626600 29.9644 -38.2002 -6.00099 -36.9318 -61.9902 -4.35171 -2.90942 -3.86643 23.3123 TIMING: 1626600 CPU: 4903.1, 0.00309214/step Wall: 4903.1, 0.00309214/step, 2.89751 hours remaining, 207.433594 MB of memory in use. ENERGY: 1626600 763.9182 2097.7863 1940.7775 94.9904 -206392.8865 17930.7654 0.0000 0.0000 34345.4859 -149219.1629 299.9477 -183564.6488 -149124.3050 299.7038 54.3596 89.1616 556559.4996 -2.9378 -2.9045 PRESSURE: 1626800 -11.4413 10.9433 -83.3359 10.9436 -8.06707 92.1516 -83.336 92.1518 -122.325 GPRESSURE: 1626800 5.07649 -11.3817 -69.3755 11.4109 51.2825 129.746 -48.0459 23.3908 -97.7158 PRESSAVG: 1626800 46.0287 -2.17402 -14.7515 -2.17407 -2.88835 -14.5738 -14.7514 -14.5737 -44.3381 GPRESSAVG: 1626800 47.5591 -2.68992 -12.5637 -2.37007 -4.10767 -15.8087 -14.2721 -13.6687 -44.5226 TIMING: 1626800 CPU: 4903.71, 0.00308639/step Wall: 4903.71, 0.00308639/step, 2.89195 hours remaining, 207.433594 MB of memory in use. ENERGY: 1626800 730.2811 2148.3790 1954.9163 110.4465 -206005.1051 17643.1895 0.0000 0.0000 34323.7802 -149094.1124 299.7581 -183417.8926 -149000.4672 299.2099 -47.2779 -13.7856 556897.3834 -0.3992 -0.3571 PRESSURE: 1627000 -208.329 105.493 -7.71352 105.493 -109.284 168.125 -7.714 168.126 -259.232 GPRESSURE: 1627000 -191.844 64.4767 -25.7472 72.2483 -57.8127 158.76 -8.69881 96.9863 -233.69 PRESSAVG: 1627000 35.824 -10.1175 8.81481 -10.1176 7.75937 30.2934 8.81482 30.2934 16.34 GPRESSAVG: 1627000 34.3185 -9.80772 8.65073 -11.8816 10.0121 30.2093 7.93813 30.7317 15.5766 TIMING: 1627000 CPU: 4904.33, 0.00305709/step Wall: 4904.33, 0.00305709/step, 2.86432 hours remaining, 207.433594 MB of memory in use. ENERGY: 1627000 731.4203 2082.7839 1978.3518 102.5435 -205636.1208 17425.0240 0.0000 0.0000 34296.1803 -149019.8171 299.5171 -183315.9974 -148926.7283 299.9421 -192.2817 -161.1157 557457.7739 19.9745 19.9691 PRESSURE: 1627200 -252.805 60.5423 106.467 60.5439 -247.402 3.32814 106.467 3.3269 -150.717 GPRESSURE: 1627200 -213.78 25.5777 155.834 5.17363 -212.21 -30.1169 57.8295 41.8476 -131.392 PRESSAVG: 1627200 -22.1531 -42.6766 31.2067 -42.6766 -27.0043 -25.9532 31.2066 -25.9532 64.1522 GPRESSAVG: 1627200 -21.5403 -43.9733 30.3195 -41.8978 -26.4914 -26.5179 31.5855 -25.2035 62.6216 TIMING: 1627200 CPU: 4904.93, 0.00303615/step Wall: 4904.93, 0.00303615/step, 2.84453 hours remaining, 207.433594 MB of memory in use. ENERGY: 1627200 776.2107 2054.9478 1944.9305 104.8383 -205536.4507 17411.4286 0.0000 0.0000 34305.2527 -148938.8421 299.5963 -183244.0948 -148843.9184 299.9226 -216.9748 -185.7942 559144.7855 4.9983 4.8633 PRESSURE: 1627400 -48.1709 -23.807 -7.26682 -23.8054 -47.6502 -128.085 -7.26706 -128.085 10.1132 GPRESSURE: 1627400 15.027 -20.3789 -151.462 -24.8815 -34.5969 -133.228 93.386 -167.81 23.5633 PRESSAVG: 1627400 -45.3934 14.6838 -31.583 14.6839 2.85673 -8.78809 -31.583 -8.78824 28.5937 GPRESSAVG: 1627400 -46.1429 16.6876 -31.4469 16.0467 1.73469 -9.15218 -29.8248 -10.4935 29.8613 TIMING: 1627400 CPU: 4905.54, 0.00301795/step Wall: 4905.54, 0.00301795/step, 2.82731 hours remaining, 207.433594 MB of memory in use. ENERGY: 1627400 736.1216 2127.0670 1927.5126 112.7974 -206196.7088 17798.1914 0.0000 0.0000 34352.0335 -149142.9853 300.0049 -183495.0187 -149046.8478 299.2827 -28.5693 1.3311 557624.0550 -4.6477 -4.8490 PRESSURE: 1627600 122.036 -102.841 30.5051 -102.842 -200.254 137.134 30.5047 137.136 -108.557 GPRESSURE: 1627600 121.399 -244.047 10.9175 -2.84933 -143.873 116.126 89.9913 154.18 -67.0112 PRESSAVG: 1627600 -52.0433 24.5966 -14.863 24.5966 -48.9496 28.8899 -14.863 28.89 24.8002 GPRESSAVG: 1627600 -52.0964 25.359 -13.1766 23.7103 -48.5952 30.1018 -15.0055 30.3146 24.5849 TIMING: 1627600 CPU: 4906.14, 0.00302247/step Wall: 4906.14, 0.00302247/step, 2.83138 hours remaining, 207.433594 MB of memory in use. ENERGY: 1627600 752.2716 2138.3056 1927.4148 107.3811 -205937.9601 17640.8508 0.0000 0.0000 34302.2304 -149069.5058 299.5699 -183371.7362 -148977.1461 299.9150 -62.2579 -29.8286 557699.4476 -25.3975 -25.3689 PRESSURE: 1627800 115.154 243.032 -86.9032 243.033 -83.7911 131.307 -86.9031 131.308 -148.59 GPRESSURE: 1627800 186.573 183.53 -26.5784 213.753 -96.49 179.204 -92.3959 -12.1539 -101.566 PRESSAVG: 1627800 46.2242 -15.4392 48.9364 -15.4391 -30.4078 9.61533 48.9363 9.6153 30.4206 GPRESSAVG: 1627800 46.4461 -17.1103 46.5121 -16.4534 -31.264 7.83974 47.9642 9.40454 30.8722 TIMING: 1627800 CPU: 4906.75, 0.00304452/step Wall: 4906.75, 0.00304452/step, 2.85187 hours remaining, 207.433594 MB of memory in use. ENERGY: 1627800 769.5881 2131.7188 1943.9233 128.5162 -206316.5781 18009.9435 0.0000 0.0000 34207.7704 -149125.1177 298.7450 -183332.8881 -149020.6086 299.6340 -39.0759 -3.8275 558307.3022 15.4123 15.3515 PRESSURE: 1628000 121.688 -120.273 82.6517 -120.273 110.575 99.228 82.6509 99.2292 178.205 GPRESSURE: 1628000 148.66 -122.238 17.0989 -86.2424 143.904 58.6461 156.209 18.3126 219.429 PRESSAVG: 1628000 1.02641 -29.7816 -8.04497 -29.7816 -17.148 -21.3764 -8.04495 -21.3764 33.8007 GPRESSAVG: 1628000 1.14325 -30.8508 -6.37535 -28.9875 -17.589 -21.747 -8.25534 -21.0465 34.7529 TIMING: 1628000 CPU: 4907.36, 0.00305769/step Wall: 4907.36, 0.00305769/step, 2.86404 hours remaining, 207.433594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1628000 758.9535 2102.2554 1977.7145 105.9955 -206094.4833 17939.6910 0.0000 0.0000 34115.9425 -149093.9310 297.9430 -183209.8735 -148991.1469 300.2107 136.8226 170.6642 557838.0337 5.8931 6.1024 PRESSURE: 1628200 -136.601 -121.053 -106.223 -121.052 3.22849 74.6804 -106.224 74.6792 6.5941 GPRESSURE: 1628200 -95.1091 -127.378 -105.843 -234.72 35.014 123.022 -73.9754 -39.3447 29.1475 PRESSAVG: 1628200 20.9766 14.3445 31.8872 14.3444 -26.7587 -33.2411 31.8872 -33.241 -15.7016 GPRESSAVG: 1628200 20.7167 16.5829 32.0177 13.4878 -26.1525 -33.0499 31.0354 -35.0792 -15.9114 TIMING: 1628200 CPU: 4907.97, 0.00302493/step Wall: 4907.97, 0.00302493/step, 2.83318 hours remaining, 207.433594 MB of memory in use. ENERGY: 1628200 727.9071 2069.0669 1947.9020 113.8385 -206208.4231 17858.7080 0.0000 0.0000 34327.7673 -149163.2333 299.7929 -183491.0006 -149064.3275 299.2671 -42.2594 -10.3159 559289.6651 -7.1613 -7.1157 LDB: ============= START OF LOAD BALANCING ============== 4911.49 LDB: ============== END OF LOAD BALANCING =============== 4911.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4911.49 LDB: ============= START OF LOAD BALANCING ============== 4911.79 LDB: Largest compute 4800 load 0.032007 is 27.2% of average load 0.117824 LDB: Average compute 0.001731 is 1.5% of average load 0.117824 LDB: TIME 4911.79 LOAD: AVG 0.117824 MAX 0.221656 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.328 MB LDB: TIME 4911.79 LOAD: AVG 0.117824 MAX 0.221656 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.531 MB LDB: TIME 4911.79 LOAD: AVG 0.117824 MAX 0.221656 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.531 MB LDB: ============== END OF LOAD BALANCING =============== 4911.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4911.8 PRESSURE: 1628400 -234.009 -63.6178 137.386 -63.6171 -180.433 -14.7479 137.386 -14.7501 -318.898 GPRESSURE: 1628400 -215.209 -25.3562 77.6103 -41.1952 -151.938 -40.7398 127.046 -17.5283 -270.299 PRESSAVG: 1628400 15.2454 -21.5887 19.277 -21.5887 12.8024 5.40098 19.2769 5.40097 6.3063 GPRESSAVG: 1628400 15.0613 -22.6328 18.7127 -20.009 12.8131 4.19796 20.1794 6.00869 6.02761 TIMING: 1628400 CPU: 4908.58, 0.00308151/step Wall: 4908.58, 0.00308151/step, 2.886 hours remaining, 208.644531 MB of memory in use. ENERGY: 1628400 735.4703 2034.0070 1932.5556 111.1628 -205861.1184 17423.0593 0.0000 0.0000 34498.0108 -149126.8526 301.2797 -183624.8634 -149029.4426 299.8792 -244.4465 -212.4817 559949.5114 11.4514 11.3007 PRESSURE: 1628600 -191.999 75.7196 116.339 75.7195 -27.8838 -174.767 116.34 -174.767 -142.509 GPRESSURE: 1628600 -177.685 163.197 162.742 53.6306 29.4577 -74.8116 15.286 -193.071 -112.506 PRESSAVG: 1628600 15.977 -44.2792 18.7312 -44.2793 17.7637 -8.78909 18.7313 -8.78922 -14.1038 GPRESSAVG: 1628600 16.7746 -42.863 21.869 -45.6037 18.2425 -5.66874 16.3307 -10.6187 -14.9741 TIMING: 1628600 CPU: 4909.18, 0.00300353/step Wall: 4909.18, 0.00300354/step, 2.81281 hours remaining, 208.847656 MB of memory in use. ENERGY: 1628600 723.1941 2085.9949 1946.0310 115.2934 -206124.9713 17677.8841 0.0000 0.0000 34559.9159 -149016.6579 301.8203 -183576.5738 -148921.4781 300.1767 -120.7971 -86.9110 558575.2694 6.5456 6.6810 PRESSURE: 1628800 90.2213 39.9354 -86.3525 39.9338 -1.99767 -163.912 -86.3539 -163.913 -97.7766 GPRESSURE: 1628800 132.944 88.0494 -87.5903 21.1041 67.0883 -203.497 -114.419 -76.246 -110.378 PRESSAVG: 1628800 22.5758 18.3808 3.12588 18.3809 1.6963 -17.6573 3.12588 -17.6572 -42.3636 GPRESSAVG: 1628800 23.2147 16.3453 0.280671 18.3008 0.413661 -20.4896 3.04064 -15.4453 -41.9631 TIMING: 1628800 CPU: 4909.79, 0.00305824/step Wall: 4909.79, 0.00305824/step, 2.86387 hours remaining, 208.847656 MB of memory in use. ENERGY: 1628800 749.9193 2052.2188 1948.2518 111.1695 -205999.8810 17872.3650 0.0000 0.0000 34337.8171 -148928.1394 299.8807 -183265.9566 -148831.8221 300.3862 -3.1844 29.8846 558674.2038 -6.0305 -6.1116 PRESSURE: 1629000 -32.8652 -34.0417 -112.874 -34.042 91.4669 49.1868 -112.876 49.1872 -32.7455 GPRESSURE: 1629000 13.8424 120.958 -26.1859 -85.3891 117.564 146.203 -58.4714 22.6008 -14.8831 PRESSAVG: 1629000 32.1527 56.0672 36.5887 56.0671 23.6177 -22.5189 36.5886 -22.519 -62.8612 GPRESSAVG: 1629000 32.0826 58.1366 37.0595 57.56 23.9964 -22.7745 37.6818 -22.5172 -62.8007 TIMING: 1629000 CPU: 4910.41, 0.00305156/step Wall: 4910.41, 0.00305156/step, 2.85745 hours remaining, 208.847656 MB of memory in use. ENERGY: 1629000 753.9110 2032.0377 1933.4278 117.8783 -205691.0949 17757.3035 0.0000 0.0000 34348.7575 -148747.7791 299.9762 -183096.5366 -148652.9003 300.2236 8.6188 38.8410 557611.0205 -2.3636 -2.2406 PRESSURE: 1629200 10.5608 18.9858 67.4327 18.9845 -177.785 -40.7679 67.4322 -40.7672 -126.144 GPRESSURE: 1629200 48.0217 9.05214 56.5577 2.74012 -149.525 -68.1695 23.3648 21.3745 -101.205 PRESSAVG: 1629200 -31.8913 -16.9312 -22.6025 -16.9311 64.016 27.6151 -22.6025 27.6151 -92.5428 GPRESSAVG: 1629200 -32.298 -19.1095 -21.4161 -16.2689 64.1965 28.2329 -22.8284 27.1921 -91.9038 TIMING: 1629200 CPU: 4911.02, 0.00306752/step Wall: 4911.02, 0.00306752/step, 2.87222 hours remaining, 208.847656 MB of memory in use. ENERGY: 1629200 757.5141 2085.4168 1938.6168 118.6738 -206203.1364 17718.2861 0.0000 0.0000 34659.5879 -148925.0410 302.6908 -183584.6289 -148823.1500 300.4322 -97.7893 -67.5696 556772.2137 -20.1394 -20.0018 PRESSURE: 1629400 154.465 -157.839 51.6127 -157.84 -222.147 67.8876 51.6122 67.8875 -129.793 GPRESSURE: 1629400 232.376 -247.832 16.0816 -103.889 -190.585 62.8173 -49.6125 77.2293 -134.946 PRESSAVG: 1629400 54.2045 -4.84744 23.7456 -4.84742 -5.16342 -45.6698 23.7456 -45.6699 -24.2192 GPRESSAVG: 1629400 53.3284 -3.90042 23.0207 -5.31907 -3.8894 -45.3694 23.0968 -46.437 -24.2984 TIMING: 1629400 CPU: 4911.63, 0.00304665/step Wall: 4911.63, 0.00304665/step, 2.85251 hours remaining, 208.847656 MB of memory in use. ENERGY: 1629400 744.3443 2070.1719 1923.9064 116.1579 -205783.6970 17573.7984 0.0000 0.0000 34350.7368 -149004.5813 299.9935 -183355.3182 -148909.1131 300.4236 -65.8249 -31.0516 557098.3931 8.2740 8.3802 PRESSURE: 1629600 81.5019 -48.9031 -70.7192 -48.9019 -186.171 3.01801 -70.7193 3.01721 214.372 GPRESSURE: 1629600 110.719 6.96971 -6.03598 -75.7398 -182.088 39.3843 -42.7658 9.45846 269.316 PRESSAVG: 1629600 98.9672 26.6517 -20.4603 26.6518 -100.998 4.14105 -20.4603 4.14098 -7.95148 GPRESSAVG: 1629600 99.7671 27.1723 -20.7038 26.0282 -100.937 2.41783 -19.4896 5.5765 -9.04667 TIMING: 1629600 CPU: 4912.24, 0.00305/step Wall: 4912.24, 0.00305/step, 2.85548 hours remaining, 208.847656 MB of memory in use. ENERGY: 1629600 718.6275 2061.8997 1931.4263 113.0275 -205928.0204 17735.2044 0.0000 0.0000 34474.0097 -148893.8254 301.0701 -183367.8352 -148794.3847 299.9677 36.5679 65.9825 557094.8331 -3.3274 -3.4056 PRESSURE: 1629800 31.7288 11.0306 -17.3426 11.0318 -111.064 -131.222 -17.3425 -131.222 -117.747 GPRESSURE: 1629800 48.3821 47.3075 31.5186 -2.43191 -104.677 -123.553 -64.891 -63.9886 -46.5586 PRESSAVG: 1629800 -3.48449 30.4827 12.7244 30.4828 -31.1018 35.6507 12.7244 35.6507 32.0427 GPRESSAVG: 1629800 -3.18698 28.6088 12.143 31.4043 -34.1521 38.8863 12.077 34.731 34.3062 TIMING: 1629800 CPU: 4912.86, 0.00311066/step Wall: 4912.86, 0.00311066/step, 2.91209 hours remaining, 208.847656 MB of memory in use. ENERGY: 1629800 776.9362 2038.7010 1935.1300 113.1116 -206279.4038 17966.3019 0.0000 0.0000 34487.1718 -148962.0513 301.1850 -183449.2231 -148867.9186 299.6878 -65.6942 -34.2844 558377.4241 -0.8479 -1.0109 PRESSURE: 1630000 -142.674 59.9538 -50.9416 59.954 107.744 -100.75 -50.9402 -100.75 16.8509 GPRESSURE: 1630000 -80.4201 26.397 -49.6549 101.473 176.104 -27.4246 -45.0279 -119.381 -11.7882 PRESSAVG: 1630000 -79.9482 79.5979 -70.9946 79.598 -5.02483 -62.9833 -70.9946 -62.9833 44.1108 GPRESSAVG: 1630000 -79.5297 79.205 -72.7864 77.9387 -3.65665 -64.4893 -70.946 -61.4477 42.2872 TIMING: 1630000 CPU: 4913.47, 0.00307091/step Wall: 4913.47, 0.00307091/step, 2.87471 hours remaining, 208.917969 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: 1630000 769.1914 2061.3902 1951.1284 119.1187 -205905.6667 17705.8440 0.0000 0.0000 34406.6668 -148892.3272 300.4820 -183298.9940 -148803.7679 299.7671 -6.0262 27.9652 556346.6026 -13.6207 -13.6331 PRESSURE: 1630200 -284.976 -152.749 89.9959 -152.749 -149.282 -55.4783 89.9954 -55.4795 -133.192 GPRESSURE: 1630200 -228.494 -138.297 17.9175 -196.811 -148.71 -44.4596 33.0869 -74.4126 -90.61 PRESSAVG: 1630200 -48.3782 -53.7478 -8.67005 -53.7479 54.469 -6.87676 -8.67001 -6.87685 37.6521 GPRESSAVG: 1630200 -49.0377 -50.9806 -6.48353 -53.3538 54.9216 -7.02474 -9.56007 -7.97356 38.1708 TIMING: 1630200 CPU: 4914.09, 0.00306753/step Wall: 4914.09, 0.00306753/step, 2.87138 hours remaining, 208.917969 MB of memory in use. ENERGY: 1630200 775.5437 2099.9963 1939.6097 108.4032 -205983.6687 17745.2990 0.0000 0.0000 34421.6414 -148893.1755 300.6128 -183314.8169 -148800.5992 300.5781 -189.1501 -155.9380 558299.2160 14.5810 14.6849 PRESSURE: 1630400 44.4216 178.542 90.7135 178.542 -86.2617 -183.102 90.712 -183.102 -36.7723 GPRESSURE: 1630400 49.569 180.742 39.1522 57.2359 -27.8872 -198.262 106.443 -256.398 -11.1286 PRESSAVG: 1630400 -90.1454 -46.0998 27.0307 -46.0998 108.918 -47.3869 27.0308 -47.3869 12.0263 GPRESSAVG: 1630400 -90.4534 -47.9423 26.4642 -43.7192 106.763 -47.296 27.5764 -47.1128 14.3125 TIMING: 1630400 CPU: 4914.7, 0.003076/step Wall: 4914.7, 0.003076/step, 2.87914 hours remaining, 208.917969 MB of memory in use. ENERGY: 1630400 783.3575 2112.2442 1926.8236 113.3624 -206108.6061 17883.8679 0.0000 0.0000 34436.8138 -148852.1366 300.7453 -183288.9505 -148754.4916 299.7900 -26.2041 3.5177 557820.8685 10.2664 10.2073 PRESSURE: 1630600 -261.148 53.5202 53.7573 53.5198 -254.858 -26.8439 53.7566 -26.8419 145.673 GPRESSURE: 1630600 -226.302 113.789 63.8405 70.9549 -226.388 -15.1864 46.4511 3.12972 171.462 PRESSAVG: 1630600 -35.3346 8.46954 -19.3921 8.46963 -53.1356 -36.6777 -19.3921 -36.6777 38.3047 GPRESSAVG: 1630600 -35.3193 9.7088 -18.0334 7.40625 -50.6564 -37.6995 -19.5008 -35.9527 36.0825 TIMING: 1630600 CPU: 4915.32, 0.00307251/step Wall: 4915.32, 0.00307251/step, 2.87569 hours remaining, 208.917969 MB of memory in use. ENERGY: 1630600 769.7087 2093.6165 1930.2037 116.5175 -205893.3447 17735.9894 0.0000 0.0000 34248.1844 -148999.1245 299.0979 -183247.3089 -148898.1192 300.0001 -123.4444 -93.7427 557930.7497 -16.7218 -16.6311 PRESSURE: 1630800 16.9067 63.2699 48.1706 63.2704 85.2463 39.5348 48.169 39.5358 78.9497 GPRESSURE: 1630800 61.42 58.0644 1.71977 -29.8755 99.8961 12.4324 102.485 21.4229 104.976 PRESSAVG: 1630800 -21.5645 41.5008 -33.4524 41.5008 -46.742 -45.3516 -33.4523 -45.3515 82.6807 GPRESSAVG: 1630800 -20.5891 39.4844 -33.4008 41.3881 -47.5381 -43.0726 -33.3759 -48.288 82.678 TIMING: 1630800 CPU: 4915.94, 0.00309099/step Wall: 4915.94, 0.00309099/step, 2.89282 hours remaining, 208.917969 MB of memory in use. ENERGY: 1630800 745.9528 2115.4408 1931.5462 102.6315 -206399.1588 17895.8619 0.0000 0.0000 34476.3560 -149131.3696 301.0906 -183607.7256 -149037.3968 299.6998 60.3676 88.7642 558320.9032 4.7914 4.8503 PRESSURE: 1631000 132.194 88.4808 -20.0441 88.4804 -152.206 -23.0397 -20.0445 -23.0395 21.4279 GPRESSURE: 1631000 184.055 103.548 -52.2342 118.641 -115.062 2.54193 -90.3652 -6.55554 35.8979 PRESSAVG: 1631000 28.9363 12.0556 28.312 12.0556 0.0499171 -34.0865 28.3119 -34.0864 -1.43149 GPRESSAVG: 1631000 29.0904 13.0569 29.3891 11.377 -0.993509 -35.4265 28.4928 -32.3993 -0.82724 TIMING: 1631000 CPU: 4916.55, 0.00307616/step Wall: 4916.55, 0.00307616/step, 2.87877 hours remaining, 208.917969 MB of memory in use. ENERGY: 1631000 749.0871 2132.6845 1924.8486 119.7913 -206435.6029 17980.5414 0.0000 0.0000 34164.8968 -149363.7532 298.3705 -183528.6500 -149275.0489 299.1722 0.4719 34.9638 559852.5715 9.1849 9.0899 PRESSURE: 1631200 97.6638 -7.20686 89.3824 -7.20837 39.7092 65.8826 89.3841 65.8822 -76.4351 GPRESSURE: 1631200 147.715 -67.8375 73.9582 32.6685 73.3098 59.1721 110.433 84.9068 -71.6219 PRESSAVG: 1631200 0.0725142 20.2843 24.1056 20.2844 1.62973 65.5147 24.1057 65.5148 1.27585 GPRESSAVG: 1631200 -0.891805 19.6378 24.3477 21.8485 2.78727 66.1282 23.0944 64.8254 1.26435 TIMING: 1631200 CPU: 4917.16, 0.00304549/step Wall: 4917.16, 0.00304549/step, 2.8499 hours remaining, 208.917969 MB of memory in use. ENERGY: 1631200 750.5023 2070.8693 1971.3994 111.4183 -206360.3868 17743.7613 0.0000 0.0000 34291.6889 -149420.7474 299.4778 -183712.4363 -149328.1815 298.7773 20.3126 49.8011 556381.5268 0.9927 1.0533 PRESSURE: 1631400 81.4413 125.198 26.836 125.197 87.7234 -57.7042 26.8372 -57.7057 -207.189 GPRESSURE: 1631400 113.192 46.435 102.909 152.641 159.324 -108.493 9.19418 -36.6414 -217.79 PRESSAVG: 1631400 42.242 25.6451 -10.3571 25.645 -14.4085 -72.5897 -10.3571 -72.5897 -32.6176 GPRESSAVG: 1631400 42.3199 27.5183 -11.8225 25.2331 -14.5098 -73.9153 -10.2484 -71.7051 -32.4806 TIMING: 1631400 CPU: 4917.77, 0.0030639/step Wall: 4917.77, 0.0030639/step, 2.86696 hours remaining, 208.917969 MB of memory in use. ENERGY: 1631400 746.0274 2109.5749 1941.9816 106.5495 -206764.4387 17936.3498 0.0000 0.0000 34373.5616 -149550.3940 300.1929 -183923.9555 -149456.2888 298.4822 -12.6747 18.2419 556702.5628 -1.5947 -1.5569 PRESSURE: 1631600 161.968 116.459 162.153 116.458 -179.4 -50.8583 162.152 -50.8579 -248.207 GPRESSURE: 1631600 155.897 92.6808 118.659 187.016 -156.283 -21.2021 108.643 -58.3267 -173.461 PRESSAVG: 1631600 18.1486 -9.95414 -17.3273 -9.95414 22.1907 7.89802 -17.3273 7.89802 -54.4638 GPRESSAVG: 1631600 18.1742 -8.98252 -17.3251 -11.7532 22.0172 10.0285 -18.5888 5.00396 -53.7969 TIMING: 1631600 CPU: 4918.38, 0.00304395/step Wall: 4918.38, 0.00304395/step, 2.84812 hours remaining, 208.917969 MB of memory in use. ENERGY: 1631600 726.9927 2124.3748 1939.9335 109.7092 -206576.9350 17891.8077 0.0000 0.0000 34136.2893 -149647.8279 298.1207 -183784.1172 -149552.5657 298.3245 -88.5465 -57.9490 556381.0580 -4.7082 -4.5352 PRESSURE: 1631800 -92.1219 127.301 31.5081 127.302 -101.368 100.855 31.5081 100.856 -107.482 GPRESSURE: 1631800 -71.7992 86.9701 78.3084 175.179 -69.3208 68.4034 -19.4768 151.716 -64.9664 PRESSAVG: 1631800 21.4232 58.5391 21.2213 58.5392 63.3718 -7.21351 21.2213 -7.21339 -55.2861 GPRESSAVG: 1631800 22.0349 56.2992 22.1027 60.5024 62.6814 -8.35708 23.5575 -3.8182 -55.5117 TIMING: 1631800 CPU: 4918.99, 0.00304773/step Wall: 4918.99, 0.00304773/step, 2.85149 hours remaining, 208.917969 MB of memory in use. ENERGY: 1631800 708.5752 2122.5672 1957.9639 106.6178 -206256.0648 17679.3102 0.0000 0.0000 34249.2538 -149431.7766 299.1073 -183681.0305 -149332.4625 298.4083 -100.3237 -68.6955 557414.9601 9.8363 9.7348 PRESSURE: 1632000 191.272 39.6137 68.8216 39.6128 -227.161 -111.701 68.8212 -111.702 -12.3751 GPRESSURE: 1632000 183.397 36.4959 56.6634 42.7877 -160.773 -57.5044 81.3567 -74.9993 16.5799 PRESSAVG: 1632000 -13.0985 25.0337 43.9371 25.0337 22.5251 4.58027 43.937 4.58034 -8.26612 GPRESSAVG: 1632000 -12.6441 25.8948 43.563 24.192 22.4701 4.55801 44.5204 2.31445 -8.61843 TIMING: 1632000 CPU: 4919.6, 0.00305125/step Wall: 4919.6, 0.00305125/step, 2.85462 hours remaining, 208.917969 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: 1632000 739.1510 2129.1098 1917.6958 113.4973 -206804.0635 18024.4158 0.0000 0.0000 34157.1455 -149723.0483 298.3028 -183880.1938 -149627.6484 298.3208 -16.0879 13.0680 556466.3467 0.3868 0.4025 PRESSURE: 1632200 -24.0769 218.701 10.6629 218.701 -200.636 -8.429 10.6638 -8.43 52.1092 GPRESSURE: 1632200 19.5689 260.464 -17.2732 193.779 -174.144 10.6179 63.6464 -61.9533 75.2768 PRESSAVG: 1632200 -3.22517 28.5446 38.7872 28.5446 -37.6126 -36.2984 38.7872 -36.2983 46.7567 GPRESSAVG: 1632200 -3.15135 28.7842 38.7393 27.5331 -37.5402 -36.5625 37.8406 -35.8302 47.2526 TIMING: 1632200 CPU: 4920.21, 0.00306724/step Wall: 4920.21, 0.00306724/step, 2.8694 hours remaining, 208.917969 MB of memory in use. ENERGY: 1632200 753.1558 2145.6126 1932.9121 111.8442 -206346.9328 17847.4250 0.0000 0.0000 33860.9164 -149695.0666 295.7158 -183555.9830 -149600.7551 297.5063 -57.5345 -26.4328 557094.4282 1.9730 2.1870 LDB: ============= START OF LOAD BALANCING ============== 4923.74 LDB: ============== END OF LOAD BALANCING =============== 4923.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4923.74 LDB: ============= START OF LOAD BALANCING ============== 4924.04 LDB: Largest compute 4800 load 0.032926 is 27.9% of average load 0.117892 LDB: Average compute 0.001740 is 1.5% of average load 0.117892 LDB: TIME 4924.04 LOAD: AVG 0.117892 MAX 0.220577 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 4924.04 LOAD: AVG 0.117892 MAX 0.220577 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: TIME 4924.04 LOAD: AVG 0.117892 MAX 0.220577 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4924.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4924.05 PRESSURE: 1632400 -58.4205 -7.71846 12.7579 -7.71892 345.12 -37.016 12.7573 -37.0168 -123.668 GPRESSURE: 1632400 -78.4786 122.239 61.2074 -18.5926 372.91 -68.8398 -9.09509 -74.6469 -29.5702 PRESSAVG: 1632400 -4.86575 53.6098 13.9586 53.6097 24.9728 -0.796881 13.9586 -0.796907 -0.40373 GPRESSAVG: 1632400 -4.90529 53.4762 15.841 53.5222 25.1107 -1.73449 13.7853 -1.40252 -0.467704 TIMING: 1632400 CPU: 4920.83, 0.00309259/step Wall: 4920.83, 0.00309259/step, 2.89294 hours remaining, 210.070312 MB of memory in use. ENERGY: 1632400 745.2440 2098.3130 1944.3675 101.8988 -206973.2786 18031.2123 0.0000 0.0000 34159.9166 -149892.3262 298.3270 -184052.2429 -149796.2784 297.2257 54.3438 88.2871 555857.2028 6.5678 6.5792 PRESSURE: 1632600 -159.901 33.2921 -16.1221 33.2923 5.3234 121.337 -16.1226 121.337 -171.202 GPRESSURE: 1632600 -52.1999 85.707 -23.385 60.196 -10.0126 105.819 14.568 129.203 -161.202 PRESSAVG: 1632600 -34.5072 30.7175 19.0154 30.7176 7.39148 51.5702 19.0153 51.5702 8.58952 GPRESSAVG: 1632600 -33.9868 30.437 17.9159 30.7709 6.45174 51.5499 19.6507 52.6186 8.79163 TIMING: 1632600 CPU: 4921.44, 0.00303272/step Wall: 4921.44, 0.00303272/step, 2.83677 hours remaining, 210.070312 MB of memory in use. ENERGY: 1632600 746.3406 1998.6297 1904.7461 127.0061 -206672.1186 17873.9516 0.0000 0.0000 34259.7858 -149761.6587 299.1992 -184021.4445 -149662.2071 296.6941 -108.5931 -74.4716 558173.6290 -6.1754 -6.2478 PRESSURE: 1632800 -74.0616 -12.0539 -66.3056 -12.0541 17.3398 19.0023 -66.3073 19.0025 -124.831 GPRESSURE: 1632800 -62.0199 57.2899 -9.93256 -134.246 21.0265 22.3869 -125.008 23.0339 -35.4161 PRESSAVG: 1632800 -21.3292 7.27833 57.8472 7.27838 37.2132 -6.11411 57.8471 -6.1141 -28.2447 GPRESSAVG: 1632800 -22.2818 8.7382 57.4167 6.95697 39.1529 -5.18567 56.1057 -4.66774 -29.2972 TIMING: 1632800 CPU: 4922.05, 0.00304377/step Wall: 4922.05, 0.00304377/step, 2.84694 hours remaining, 210.070312 MB of memory in use. ENERGY: 1632800 746.7094 2047.4512 1933.9205 112.1950 -206446.1101 17739.6870 0.0000 0.0000 34273.4172 -149592.7299 299.3183 -183866.1470 -149504.2366 297.8326 -60.5176 -25.4698 558457.2471 -4.1202 -4.1420 PRESSURE: 1633000 -163.58 -77.4543 56.888 -77.4557 -69.8881 110.749 56.8875 110.748 30.125 GPRESSURE: 1633000 -93.8988 -84.5399 -51.4992 -17.096 -18.6306 88.0681 203.117 48.7903 4.88566 PRESSAVG: 1633000 2.32027 38.6295 38.7525 38.6295 29.6178 1.77266 38.7525 1.77267 -57.9727 GPRESSAVG: 1633000 2.68627 37.3761 37.9938 38.2986 28.2033 1.49396 41.1029 -1.49715 -56.8234 TIMING: 1633000 CPU: 4922.66, 0.00304681/step Wall: 4922.66, 0.00304681/step, 2.84961 hours remaining, 210.070312 MB of memory in use. ENERGY: 1633000 753.5990 2044.1420 1912.7175 101.6754 -206286.4335 17882.8015 0.0000 0.0000 34075.8699 -149515.6281 297.5930 -183591.4981 -149420.8398 298.0440 -67.7812 -35.8812 559076.6730 -8.6782 -8.6446 PRESSURE: 1633200 -37.8922 163.187 -36.2399 163.188 -165.054 14.2256 -36.2407 14.2258 -279.154 GPRESSURE: 1633200 -34.4165 242.397 -22.1669 78.2267 -107.268 -87.2932 -81.0314 39.0228 -251.274 PRESSAVG: 1633200 16.1156 -46.028 10.1327 -46.028 22.4026 0.584385 10.1327 0.584427 -27.9414 GPRESSAVG: 1633200 15.7983 -46.1533 10.3689 -46.6637 23.2012 -1.12413 8.96255 4.04803 -29.1426 TIMING: 1633200 CPU: 4923.27, 0.00307406/step Wall: 4923.27, 0.00307406/step, 2.87493 hours remaining, 210.070312 MB of memory in use. ENERGY: 1633200 741.2237 2107.4420 1911.9163 115.6788 -206082.5631 17675.7516 0.0000 0.0000 34138.4416 -149392.1092 298.1395 -183530.5508 -149298.8946 298.1272 -160.7002 -130.9864 558073.6250 3.5256 3.2856 PRESSURE: 1633400 34.9272 11.8883 52.2304 11.888 -47.6661 -29.2437 52.2293 -29.2431 -177.981 GPRESSURE: 1633400 95.1082 -4.71557 0.283293 133.723 -110.581 -0.772409 84.5942 -12.6845 -75.7635 PRESSAVG: 1633400 58.7301 5.43853 17.1896 5.43845 -7.8848 -24.4264 17.1897 -24.4265 -11.8257 GPRESSAVG: 1633400 58.7577 3.32084 16.4595 7.76869 -9.63421 -23.4266 18.7844 -25.8973 -10.2152 TIMING: 1633400 CPU: 4923.89, 0.00306901/step Wall: 4923.89, 0.00306901/step, 2.87003 hours remaining, 210.070312 MB of memory in use. ENERGY: 1633400 767.7291 2075.5279 1955.8862 107.9798 -206358.7275 17750.8827 0.0000 0.0000 34266.2155 -149434.5062 299.2554 -183700.7217 -149336.6363 298.8672 -63.5733 -30.4121 556223.7436 13.0065 12.9694 PRESSURE: 1633600 -73.3912 7.88513 -95.1704 7.8851 -52.7144 -107.914 -95.1709 -107.915 -116.854 GPRESSURE: 1633600 -105.559 43.6907 -39.9945 22.2025 47.8417 -97.465 -163.461 -81.584 -83.2674 PRESSAVG: 1633600 38.2458 21.8313 -32.8655 21.8313 -25.2595 5.91623 -32.8654 5.91625 -68.2341 GPRESSAVG: 1633600 37.4157 25.8354 -32.3493 18.553 -22.8953 7.82911 -34.1661 4.5692 -69.3642 TIMING: 1633600 CPU: 4924.5, 0.00306254/step Wall: 4924.5, 0.00306254/step, 2.86382 hours remaining, 210.070312 MB of memory in use. ENERGY: 1633600 769.4501 2024.9281 1934.5584 108.9072 -206284.9495 17761.2355 0.0000 0.0000 34275.4805 -149410.3897 299.3363 -183685.8702 -149310.7858 298.7887 -80.9866 -46.9949 554787.5088 -18.4159 -18.2813 PRESSURE: 1633800 -14.0679 -21.925 -5.66566 -21.925 123.196 1.58483 -5.66399 1.58488 -416.958 GPRESSURE: 1633800 10.8249 -96.3771 34.564 1.45831 206.432 -80.5393 0.310505 13.9677 -417.312 PRESSAVG: 1633800 -25.3961 -63.8433 83.308 -63.8433 110.477 -36.7229 83.3081 -36.723 -42.4493 GPRESSAVG: 1633800 -24.5032 -65.8263 84.7561 -62.9216 109.111 -38.8768 84.0055 -35.3875 -42.4238 TIMING: 1633800 CPU: 4925.11, 0.00303712/step Wall: 4925.11, 0.00303712/step, 2.83987 hours remaining, 210.070312 MB of memory in use. ENERGY: 1633800 729.5216 2029.1069 1944.9634 116.6719 -205938.3683 17577.9367 0.0000 0.0000 34142.4104 -149397.7573 298.1742 -183540.1677 -149298.3888 299.5432 -102.6100 -66.6849 556737.5079 14.2106 14.0614 PRESSURE: 1634000 110.292 13.4358 50.1397 13.4365 142.361 -341.618 50.1407 -341.618 241.891 GPRESSURE: 1634000 150.664 7.29138 42.5866 44.2781 134.027 -303.202 91.8898 -272.838 310.255 PRESSAVG: 1634000 -23.444 -17.1946 75.6917 -17.1947 54.4116 -42.8161 75.6918 -42.8161 -14.2557 GPRESSAVG: 1634000 -23.6414 -17.4008 73.5364 -16.7629 55.1092 -41.1083 75.5918 -41.1982 -14.186 TIMING: 1634000 CPU: 4925.72, 0.00304944/step Wall: 4925.72, 0.00304944/step, 2.85122 hours remaining, 210.070312 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: 1634000 757.2483 2023.9341 1950.0941 121.5251 -206597.7165 17939.6104 0.0000 0.0000 34390.6185 -149414.6861 300.3418 -183805.3046 -149312.7910 299.1711 164.8480 198.3153 554412.0278 5.5706 5.7606 PRESSURE: 1634200 185.999 220.354 -148.309 220.353 -161.375 176.146 -148.309 176.146 156.902 GPRESSURE: 1634200 188.512 211.825 -164.255 191.335 -56.9982 211.11 -166.052 156.12 143.985 PRESSAVG: 1634200 95.2636 33.2495 24.3346 33.2495 -7.65872 2.69637 24.3346 2.6963 -58.9741 GPRESSAVG: 1634200 95.1367 31.2747 25.2857 34.5797 -8.09588 1.9518 24.1323 0.78211 -58.7921 TIMING: 1634200 CPU: 4926.32, 0.00301436/step Wall: 4926.32, 0.00301436/step, 2.81826 hours remaining, 210.070312 MB of memory in use. ENERGY: 1634200 734.7294 2055.7751 1923.1899 105.8300 -206298.4635 18021.5720 0.0000 0.0000 34074.3022 -149383.0648 297.5794 -183457.3671 -149291.2211 298.9201 60.5087 91.8329 556819.3560 9.5436 9.4162 PRESSURE: 1634400 -137.681 36.285 5.14487 36.2842 -85.3693 54.5373 5.14392 54.5381 -72.5735 GPRESSURE: 1634400 -80.8357 -15.2483 60.4684 54.7539 -78.0772 194.824 1.00513 22.8345 -31.1456 PRESSAVG: 1634400 -9.09765 14.5164 10.1452 14.5166 22.5206 47.0419 10.1452 47.042 6.47665 GPRESSAVG: 1634400 -10.1576 17.3327 9.46007 11.8003 22.8344 47.9868 12.3821 47.2352 6.53639 TIMING: 1634400 CPU: 4926.92, 0.00300814/step Wall: 4926.92, 0.00300814/step, 2.81228 hours remaining, 210.070312 MB of memory in use. ENERGY: 1634400 759.5225 2085.5001 1915.7755 110.3387 -206500.8952 17746.0444 0.0000 0.0000 34278.3662 -149605.3478 299.3615 -183883.7140 -149517.3041 299.2938 -98.5412 -63.3528 554491.8357 6.6332 6.4044 PRESSURE: 1634600 -107.832 -20.6398 41.8499 -20.6407 201.894 34.411 41.8505 34.4096 -74.8892 GPRESSURE: 1634600 -97.7045 -17.2744 19.6903 -13.8042 279.242 -37.2113 28.4749 60.2076 -52.2309 PRESSAVG: 1634600 -32.1468 9.0624 -23.1876 9.06238 40.2389 17.3137 -23.1875 17.3136 -23.9164 GPRESSAVG: 1634600 -31.4363 9.74353 -22.1093 8.88679 40.6555 15.465 -23.9091 17.6797 -25.098 TIMING: 1634600 CPU: 4927.52, 0.00301347/step Wall: 4927.52, 0.00301347/step, 2.81709 hours remaining, 210.070312 MB of memory in use. ENERGY: 1634600 761.8732 1975.4658 1919.9171 111.6889 -206217.3796 17880.2831 0.0000 0.0000 34029.0647 -149539.0868 297.1843 -183568.1515 -149445.7835 298.7304 6.3910 43.1022 556864.1395 -5.2748 -5.2929 PRESSURE: 1634800 40.2364 38.4193 -117.816 38.4189 -9.32075 -1.81134 -117.815 -1.81039 35.4388 GPRESSURE: 1634800 51.3209 55.971 -37.9931 90.7934 32.7014 -11.2576 -105.195 -69.0777 76.0803 PRESSAVG: 1634800 -21.6585 52.175 -9.10679 52.1751 4.47927 -18.379 -9.10676 -18.3789 -0.702714 GPRESSAVG: 1634800 -22.0673 49.4091 -9.16539 53.6276 4.53839 -17.8979 -8.18278 -18.5616 -0.893424 TIMING: 1634800 CPU: 4928.13, 0.00303343/step Wall: 4928.13, 0.00303343/step, 2.83558 hours remaining, 210.070312 MB of memory in use. ENERGY: 1634800 737.5751 2033.2238 1947.4160 96.2812 -206540.2744 17901.7161 0.0000 0.0000 34240.8322 -149583.2300 299.0337 -183824.0622 -149490.4366 298.5444 22.1181 53.3675 557686.3012 -5.9607 -6.1408 PRESSURE: 1635000 56.924 144.962 -35.8512 144.961 38.9343 86.1778 -35.8503 86.1782 -28.7528 GPRESSURE: 1635000 97.9731 136.6 -26.3746 116.832 87.3574 107.227 1.19918 109.994 -17.0408 PRESSAVG: 1635000 -23.7666 74.7258 6.27012 74.7258 11.5243 -14.665 6.27015 -14.6649 -35.7615 GPRESSAVG: 1635000 -24.563 76.8424 5.12265 73.2433 10.9473 -14.9834 6.18845 -16.0495 -35.1572 TIMING: 1635000 CPU: 4928.74, 0.00302435/step Wall: 4928.74, 0.00302435/step, 2.82692 hours remaining, 210.070312 MB of memory in use. ENERGY: 1635000 743.9835 2022.0949 1919.0808 104.9223 -206553.6223 18171.4686 0.0000 0.0000 33901.6107 -149690.4616 296.0712 -183592.0722 -149598.6825 298.7138 22.3685 56.0966 558796.2894 -16.0013 -16.2576 PRESSURE: 1635200 -32.7759 -95.6164 111.781 -95.6159 18.3919 -95.6255 111.78 -95.6251 175.384 GPRESSURE: 1635200 20.666 -32.655 -11.486 -138.231 43.0681 -49.7353 157.056 -78.6019 200.246 PRESSAVG: 1635200 45.7338 28.4091 22.3798 28.4091 -37.2329 19.8359 22.3798 19.8359 -27.8491 GPRESSAVG: 1635200 46.3055 26.4606 22.8828 30.3957 -37.211 19.3249 21.2832 22.1361 -28.3596 TIMING: 1635200 CPU: 4929.34, 0.00303667/step Wall: 4929.34, 0.00303667/step, 2.83828 hours remaining, 210.070312 MB of memory in use. ENERGY: 1635200 735.3500 2033.6139 1934.8105 115.0293 -206815.6727 18229.6024 0.0000 0.0000 34190.6100 -149576.6565 298.5951 -183767.2666 -149489.2286 297.6901 53.6668 87.9933 558652.2633 -6.4494 -6.4217 PRESSURE: 1635400 -94.9077 134.18 -75.7403 134.181 30.4627 -110.334 -75.7397 -110.335 -159.685 GPRESSURE: 1635400 -29.5664 172.936 -87.4544 88.2587 32.2725 -21.9212 -107.321 -76.71 -140.134 PRESSAVG: 1635400 23.3855 -6.76967 4.57805 -6.76963 -10.9131 7.37666 4.57813 7.37661 -27.5011 GPRESSAVG: 1635400 24.4678 -5.93604 5.23514 -6.51959 -10.9894 7.57907 4.83395 8.39632 -27.7482 TIMING: 1635400 CPU: 4929.94, 0.00299115/step Wall: 4929.94, 0.00299115/step, 2.79556 hours remaining, 210.070312 MB of memory in use. ENERGY: 1635400 728.8383 2034.3246 1924.8760 119.7688 -206209.1639 17773.7284 0.0000 0.0000 34045.1105 -149582.5173 297.3244 -183627.6278 -149484.6120 297.6041 -74.7101 -45.8093 557177.5375 -5.0096 -4.7566 PRESSURE: 1635600 -75.3743 -86.4657 -130.98 -86.4652 18.8364 72.5858 -130.979 72.5867 -21.0278 GPRESSURE: 1635600 -51.3248 -18.0753 -194.37 -80.7323 75.8907 106.053 -203.262 41.3153 -11.3267 PRESSAVG: 1635600 25.2474 -20.7726 -25.2469 -20.7727 3.36021 -33.3722 -25.2468 -33.3722 9.75914 GPRESSAVG: 1635600 23.99 -21.2461 -24.6221 -21.3402 3.42401 -33.2624 -24.6593 -36.4884 10.8718 TIMING: 1635600 CPU: 4930.55, 0.00302222/step Wall: 4930.55, 0.00302222/step, 2.82443 hours remaining, 210.070312 MB of memory in use. ENERGY: 1635600 744.1685 2114.2523 1894.5491 104.9956 -206268.8431 17787.5805 0.0000 0.0000 34132.9477 -149490.3493 298.0915 -183623.2970 -149392.0672 298.5516 -25.8553 4.4131 556565.2467 12.7889 12.7620 PRESSURE: 1635800 4.14085 191.993 54.3241 191.991 89.9985 22.6007 54.3245 22.5997 -189.681 GPRESSURE: 1635800 17.5206 155.732 23.1493 191.382 146.723 -8.28974 22.8262 52.4073 -167.812 PRESSAVG: 1635800 -49.3611 50.7355 -51.1973 50.7355 21.9573 49.6377 -51.1973 49.6376 35.5395 GPRESSAVG: 1635800 -49.2134 50.1448 -51.6633 51.2631 21.4012 49.3977 -52.2788 50.0388 35.9038 TIMING: 1635800 CPU: 4931.15, 0.00302973/step Wall: 4931.15, 0.00302973/step, 2.83128 hours remaining, 210.070312 MB of memory in use. ENERGY: 1635800 768.2991 2071.9964 1939.3935 112.8037 -206430.7407 17903.5269 0.0000 0.0000 34281.3837 -149353.3375 299.3879 -183634.7211 -149245.8646 298.4914 -31.8472 -1.1896 556925.0121 2.7119 2.6972 PRESSURE: 1636000 299.616 -39.7905 74.5827 -39.7915 -30.4213 203.655 74.5811 203.654 -192.511 GPRESSURE: 1636000 322.149 38.379 26.417 10.4671 36.5141 91.8802 42.8696 143.071 -184.159 PRESSAVG: 1636000 -19.9372 2.1073 -11.0294 2.10728 99.6109 30.2849 -11.0294 30.2849 -26.0064 GPRESSAVG: 1636000 -20.5004 2.29878 -9.09429 0.970739 100.353 29.2182 -11.2564 28.6468 -26.0936 TIMING: 1636000 CPU: 4931.75, 0.00301861/step Wall: 4931.75, 0.00301861/step, 2.82073 hours remaining, 210.070312 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: 1636000 757.3239 2081.8867 1929.9737 113.4066 -206366.8214 17901.0123 0.0000 0.0000 34208.3113 -149374.9071 298.7497 -183583.2183 -149282.2420 299.3510 25.5612 58.1679 556105.4956 17.8891 17.9197 PRESSURE: 1636200 85.3721 94.5658 83.0004 94.5661 22.6987 38.844 83.0004 38.8451 29.4657 GPRESSURE: 1636200 46.8095 123.069 8.90236 151.382 78.2386 27.6607 140.216 -29.3831 106.74 PRESSAVG: 1636200 -45.0117 38.5501 8.69705 38.5501 90.4862 32.3259 8.69713 32.3258 -53.0296 GPRESSAVG: 1636200 -45.7344 39.2659 6.47121 38.3071 90.943 32.5 9.75642 33.4394 -52.4731 TIMING: 1636200 CPU: 4932.36, 0.00301216/step Wall: 4932.36, 0.00301216/step, 2.81453 hours remaining, 210.070312 MB of memory in use. ENERGY: 1636200 770.9853 2082.1291 1929.8197 124.6643 -206269.8992 17904.4803 0.0000 0.0000 33975.6933 -149482.1273 296.7182 -183457.8206 -149390.6745 298.7226 45.8455 77.2626 557577.0911 -2.5184 -2.4215 LDB: ============= START OF LOAD BALANCING ============== 4935.88 LDB: ============== END OF LOAD BALANCING =============== 4935.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4935.88 LDB: ============= START OF LOAD BALANCING ============== 4936.18 LDB: Largest compute 4800 load 0.032629 is 27.7% of average load 0.117911 LDB: Average compute 0.001740 is 1.5% of average load 0.117911 LDB: TIME 4936.18 LOAD: AVG 0.117911 MAX 0.217611 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.504 MB LDB: TIME 4936.18 LOAD: AVG 0.117911 MAX 0.217611 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.508 MB LDB: TIME 4936.18 LOAD: AVG 0.117911 MAX 0.217611 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.508 MB LDB: ============== END OF LOAD BALANCING =============== 4936.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4936.19 PRESSURE: 1636400 -71.7992 4.78937 -1.76923 4.78938 -146.988 135.925 -1.76876 135.924 58.7295 GPRESSURE: 1636400 -54.0781 -2.66335 28.7831 27.1324 -100.093 175.371 15.8951 118.062 97.4634 PRESSAVG: 1636400 18.7027 -37.2979 29.6109 -37.298 20.0873 7.05939 29.6109 7.05928 -49.5585 GPRESSAVG: 1636400 19.3806 -38.0712 31.7575 -35.1084 19.8706 7.15538 29.7537 9.22892 -49.8842 TIMING: 1636400 CPU: 4932.97, 0.0030709/step Wall: 4932.97, 0.0030709/step, 2.86924 hours remaining, 206.531250 MB of memory in use. ENERGY: 1636400 763.0854 2054.9365 1880.1216 112.6552 -206227.8515 17680.4123 0.0000 0.0000 34102.7208 -149633.9196 297.8275 -183736.6404 -149540.8590 298.3848 -53.3524 -18.9027 555667.6929 -3.5895 -3.5443 PRESSURE: 1636600 -190.229 -21.3981 80.9309 -21.3977 -250.822 14.7211 80.9306 14.7207 21.736 GPRESSURE: 1636600 -193.065 -19.9378 81.819 53.3216 -132.631 23.2003 48.9594 52.2262 15.9882 PRESSAVG: 1636600 12.2739 -22.4392 27.5296 -22.4393 8.60415 -19.2023 27.5295 -19.2024 11.0769 GPRESSAVG: 1636600 12.9682 -24.0722 26.0829 -23.1267 7.5968 -18.1682 28.5939 -17.7468 11.1564 TIMING: 1636600 CPU: 4933.57, 0.00300862/step Wall: 4933.57, 0.00300862/step, 2.81088 hours remaining, 206.937500 MB of memory in use. ENERGY: 1636600 742.2556 2063.8908 1946.7773 115.4167 -205840.8012 17422.2628 0.0000 0.0000 34093.1349 -149457.0632 297.7438 -183550.1980 -149362.9976 298.2604 -139.7717 -103.2358 556412.1309 10.6517 10.5738 PRESSURE: 1636800 16.9088 -91.3538 87.1401 -91.3538 -226.803 -146.627 87.1413 -146.626 -238.548 GPRESSURE: 1636800 105.807 -45.6773 26.7255 -82.9893 -198.717 -124.819 84.9513 -168.7 -254.139 PRESSAVG: 1636800 -87.5647 -0.96772 -31.153 -0.967741 59.6719 -21.9667 -31.153 -21.9668 17.7406 GPRESSAVG: 1636800 -87.2416 1.76075 -32.7559 -1.9433 59.8244 -20.7677 -32.4018 -24.9098 17.2524 TIMING: 1636800 CPU: 4934.18, 0.00301173/step Wall: 4934.18, 0.00301173/step, 2.81363 hours remaining, 206.937500 MB of memory in use. ENERGY: 1636800 754.0156 2122.2678 1934.6453 112.5438 -206086.5765 17462.6008 0.0000 0.0000 34217.5342 -149482.9690 298.8302 -183700.5032 -149388.5205 299.0006 -149.4807 -115.6833 555911.2768 -3.3841 -3.3883 PRESSURE: 1637000 -386.353 80.5127 218.664 80.513 -66.4992 -74.4785 218.663 -74.4781 71.6806 GPRESSURE: 1637000 -293.957 85.6351 216.332 52.399 -91.1418 -106.249 257.907 -6.39896 85.6641 PRESSAVG: 1637000 -25.0794 7.75932 101.951 7.75933 0.132911 -7.55828 101.951 -7.55813 -3.48719 GPRESSAVG: 1637000 -25.8485 8.57007 100.938 6.99637 -0.329322 -10.4117 102.733 -4.65734 -2.61571 TIMING: 1637000 CPU: 4934.78, 0.00300186/step Wall: 4934.78, 0.00300186/step, 2.80424 hours remaining, 206.937500 MB of memory in use. ENERGY: 1637000 765.4491 2139.7045 1919.1899 101.2831 -206212.5969 17702.1388 0.0000 0.0000 34280.8721 -149303.9594 299.3834 -183584.8315 -149216.6846 299.0077 -127.0570 -99.8116 556575.0774 -9.4779 -9.5978 PRESSURE: 1637200 -16.5248 -105.291 44.849 -105.291 -99.4426 -131.176 44.8491 -131.177 21.292 GPRESSURE: 1637200 -5.12881 -76.0622 -44.4527 -153.254 -56.1587 -148.05 58.5244 -182.206 66.6214 PRESSAVG: 1637200 -18.1703 0.513071 19.7067 0.513081 17.1078 -9.6191 19.7067 -9.61912 25.2507 GPRESSAVG: 1637200 -17.1817 -2.26281 20.2056 2.61151 18.491 -7.12612 20.6853 -12.2082 23.6653 TIMING: 1637200 CPU: 4935.38, 0.0030115/step Wall: 4935.38, 0.0030115/step, 2.81307 hours remaining, 206.937500 MB of memory in use. ENERGY: 1637200 741.2686 2115.4382 1901.8198 130.4094 -206158.6905 17725.5868 0.0000 0.0000 34117.0277 -149427.1399 297.9525 -183544.1676 -149332.8708 299.4208 -31.5585 1.7780 556110.3117 8.0627 8.3248 PRESSURE: 1637400 74.6243 -89.2805 52.6464 -89.2808 74.2094 49.8443 52.6473 49.846 -44.2168 GPRESSURE: 1637400 82.1496 49.991 18.5352 -137.333 85.0657 120.792 14.8615 -36.3648 45.7648 PRESSAVG: 1637400 3.25166 -17.9167 -27.6836 -17.9167 3.48901 73.1207 -27.6836 73.1207 -36.881 GPRESSAVG: 1637400 2.13319 -17.6542 -27.9566 -19.5229 2.19878 74.0131 -27.0534 71.7552 -34.789 TIMING: 1637400 CPU: 4935.98, 0.00302742/step Wall: 4935.98, 0.00302742/step, 2.82778 hours remaining, 206.937500 MB of memory in use. ENERGY: 1637400 755.0696 2086.8279 1923.5021 109.8194 -206259.4483 17930.1539 0.0000 0.0000 34204.7744 -149249.3012 298.7188 -183454.0756 -149154.1410 299.7405 34.8723 70.9934 557692.6294 -10.0468 -10.1524 PRESSURE: 1637600 -362.959 20.6354 -81.2449 20.6358 -129.467 124.668 -81.2453 124.669 88.8217 GPRESSURE: 1637600 -239.212 32.5805 14.9758 38.2564 -154.198 67.6619 -193.322 114.34 91.9238 PRESSAVG: 1637600 -8.16233 18.5987 -24.475 18.5987 4.48921 -32.413 -24.475 -32.413 16.1629 GPRESSAVG: 1637600 -7.13343 18.8758 -23.6077 19.9383 5.54108 -34.6197 -24.356 -31.1779 13.8491 TIMING: 1637600 CPU: 4936.59, 0.00301119/step Wall: 4936.59, 0.00301119/step, 2.81245 hours remaining, 206.937500 MB of memory in use. ENERGY: 1637600 743.6999 2073.2944 1942.4670 110.6702 -205962.7870 17575.5330 0.0000 0.0000 34250.7967 -149266.3259 299.1207 -183517.1226 -149165.1395 299.2002 -134.5347 -100.4954 558366.7389 4.1633 4.0856 PRESSURE: 1637800 -284.842 83.4557 45.8131 83.4564 -121.441 -44.9622 45.8127 -44.9622 44.9831 GPRESSURE: 1637800 -152.759 101.078 86.0442 71.0112 -147.8 46.8414 -1.64061 -83.1166 41.4541 PRESSAVG: 1637800 41.0449 -37.4156 -24.7132 -37.4156 -39.529 2.98567 -24.7132 2.98554 28.4544 GPRESSAVG: 1637800 40.0223 -36.6663 -24.4711 -39.7664 -39.8581 4.48754 -27.5478 3.56739 29.7548 TIMING: 1637800 CPU: 4937.19, 0.00300574/step Wall: 4937.19, 0.00300574/step, 2.8072 hours remaining, 206.937500 MB of memory in use. ENERGY: 1637800 760.7261 2123.3974 1921.8903 98.8609 -206211.4214 17767.2490 0.0000 0.0000 34166.6793 -149372.6185 298.3861 -183539.2978 -149279.7953 298.6722 -120.4333 -86.3683 558732.6508 9.9901 9.9730 PRESSURE: 1638000 -19.071 -5.65364 140.906 -5.65429 -20.0267 99.4515 140.906 99.453 98.5837 GPRESSURE: 1638000 0.394361 -64.5015 112.839 -32.0683 26.7111 67.9973 78.2472 257.071 131.957 PRESSAVG: 1638000 8.50137 -16.4301 59.5289 -16.43 2.05307 15.2943 59.529 15.2944 -14.0207 GPRESSAVG: 1638000 8.42436 -15.1145 58.2528 -17.8651 1.7026 14.0959 60.6248 15.8699 -13.5714 TIMING: 1638000 CPU: 4937.79, 0.00301505/step Wall: 4937.79, 0.00301505/step, 2.81572 hours remaining, 206.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1638000 770.4296 2103.6406 1928.7569 113.6105 -206457.1261 18087.7416 0.0000 0.0000 34235.6256 -149217.3213 298.9882 -183452.9469 -149124.0413 299.5860 19.8286 53.0207 557410.8603 -1.1554 -1.1482 PRESSURE: 1638200 -241.66 206.274 7.51236 206.273 132.05 159.277 7.51236 159.278 -322.735 GPRESSURE: 1638200 -171.709 185.864 96.8807 159.931 110.201 158.443 -25.4677 225.656 -283.759 PRESSAVG: 1638200 44.3496 -3.51236 13.0989 -3.5123 35.1489 5.56636 13.0989 5.56636 -37.3231 GPRESSAVG: 1638200 44.253 -5.32143 14.4996 -1.11119 35.6396 5.39524 11.9033 5.61323 -38.3411 TIMING: 1638200 CPU: 4938.4, 0.00306369/step Wall: 4938.4, 0.00306369/step, 2.86097 hours remaining, 206.937500 MB of memory in use. ENERGY: 1638200 744.7674 2057.2368 1939.4591 125.8719 -205997.1953 17623.7996 0.0000 0.0000 34255.9612 -149250.0993 299.1658 -183506.0606 -149151.2391 299.6414 -144.1149 -115.0889 557808.6414 14.0584 13.8505 PRESSURE: 1638400 75.9927 -121.57 -55.3211 -121.571 8.57752 28.0351 -55.3226 28.0354 21.0187 GPRESSURE: 1638400 99.3753 -48.1447 -102.059 -156.682 26.4416 -53.1832 -26.2019 35.1788 74.2239 PRESSAVG: 1638400 -5.30023 -24.2177 31.3953 -24.2178 45.1174 81.268 31.3954 81.2679 -22.3937 GPRESSAVG: 1638400 -5.2504 -25.0337 32.6867 -22.9187 45.2998 83.4199 31.5483 79.631 -22.667 TIMING: 1638400 CPU: 4939.01, 0.00304278/step Wall: 4939.01, 0.00304278/step, 2.84128 hours remaining, 206.937500 MB of memory in use. ENERGY: 1638400 758.6271 2073.9535 1949.9208 112.4269 -206177.2482 17950.2728 0.0000 0.0000 34107.8658 -149224.1812 297.8725 -183332.0470 -149132.6209 299.3524 35.1963 66.6803 559370.3839 5.8079 5.7941 PRESSURE: 1638600 194.496 210.192 28.8383 210.191 57.795 -93.7406 28.8377 -93.7408 13.3602 GPRESSURE: 1638600 224.882 211.853 99.3351 218.998 70.8057 -137.162 28.1316 -96.8665 71.3518 PRESSAVG: 1638600 -11.4909 10.7546 17.875 10.7546 -22.6076 -6.40719 17.875 -6.40723 -1.16116 GPRESSAVG: 1638600 -11.7253 11.7853 16.6503 8.67095 -22.6427 -9.36441 19.4374 -6.48407 -0.926218 TIMING: 1638600 CPU: 4939.62, 0.00302976/step Wall: 4939.62, 0.00302976/step, 2.82895 hours remaining, 206.937500 MB of memory in use. ENERGY: 1638600 763.2514 2110.1907 1933.7867 96.8739 -206581.6499 18051.4646 0.0000 0.0000 34202.2405 -149423.8422 298.6967 -183626.0827 -149329.6914 298.7862 88.5505 122.3464 557007.2535 -11.7532 -11.7647 PRESSURE: 1638800 395.059 82.0755 -143.747 82.0755 22.6504 -84.57 -143.747 -84.5713 30.3894 GPRESSURE: 1638800 395.64 61.6347 -120.331 76.8413 73.0591 -5.95577 -178.612 -89.804 92.9625 PRESSAVG: 1638800 -8.86003 53.9198 -57.0493 53.9198 17.9461 33.9368 -57.0493 33.9368 -39.5042 GPRESSAVG: 1638800 -8.5948 56.4299 -59.0333 51.2133 17.6518 36.2648 -57.0746 34.1913 -39.6507 TIMING: 1638800 CPU: 4940.22, 0.00302651/step Wall: 4940.22, 0.00302651/step, 2.82575 hours remaining, 206.937500 MB of memory in use. ENERGY: 1638800 751.9796 2131.1244 1944.2942 112.2945 -206674.6869 18017.4401 0.0000 0.0000 34201.7084 -149515.8456 298.6920 -183717.5540 -149419.5603 299.2492 149.3664 187.2206 556646.9163 -10.1394 -10.1979 PRESSURE: 1639000 -75.5985 118.18 176.18 118.182 -249.19 -18.1937 176.179 -18.1926 -450.412 GPRESSURE: 1639000 -72.6839 78.0468 171.521 99.3559 -182.347 16.8204 211.232 -47.166 -420.387 PRESSAVG: 1639000 56.829 19.3816 -53.6858 19.3816 -24.6363 -27.3669 -53.6858 -27.367 -13.2689 GPRESSAVG: 1639000 56.7193 18.003 -54.6389 21.9801 -23.8194 -26.7934 -52.4311 -27.9783 -14.3674 TIMING: 1639000 CPU: 4940.82, 0.00299017/step Wall: 4940.82, 0.00299017/step, 2.79166 hours remaining, 206.937500 MB of memory in use. ENERGY: 1639000 777.1866 2037.8598 1919.2116 118.0603 -206287.5564 17715.7109 0.0000 0.0000 34079.9751 -149639.5520 297.6289 -183719.5272 -149547.9810 298.2468 -258.4001 -225.1393 557909.6020 6.3079 6.1775 PRESSURE: 1639200 -207.053 -83.9318 96.4985 -83.9312 294.545 -55.8595 96.4988 -55.8576 96.8684 GPRESSURE: 1639200 -156.89 -115.691 72.9769 -84.1335 314.415 11.9541 49.295 -54.6633 117.517 PRESSAVG: 1639200 -81.3211 10.9094 37.3462 10.9094 48.2852 -48.7746 37.3463 -48.7747 -15.7435 GPRESSAVG: 1639200 -80.6721 8.39047 39.0871 11.0218 46.7589 -49.9114 36.9366 -50.1806 -14.7671 TIMING: 1639200 CPU: 4941.43, 0.003033/step Wall: 4941.43, 0.003033/step, 2.83147 hours remaining, 206.937500 MB of memory in use. ENERGY: 1639200 756.7177 2090.0815 1951.7778 108.8050 -206566.2445 17870.5032 0.0000 0.0000 34134.3834 -149653.9759 298.1041 -183788.3593 -149557.4317 297.6772 61.4535 91.6809 555989.5552 -16.2598 -16.2267 PRESSURE: 1639400 25.2756 31.5459 -133.357 31.5454 38.6661 0.0211596 -133.357 0.020592 279.045 GPRESSURE: 1639400 69.3874 39.1269 -156.671 -4.5595 134.198 27.0918 -178.485 3.56544 249.111 PRESSAVG: 1639400 -62.3798 9.61589 11.8663 9.61587 20.2548 -27.6097 11.8664 -27.6096 44.9793 GPRESSAVG: 1639400 -61.764 11.5224 14.3888 9.25031 20.6798 -28.3329 11.9859 -27.2952 44.0853 TIMING: 1639400 CPU: 4942.03, 0.00303824/step Wall: 4942.03, 0.00303824/step, 2.8362 hours remaining, 206.937500 MB of memory in use. ENERGY: 1639400 688.2311 2132.7900 1952.5034 124.6856 -206481.5984 17844.1189 0.0000 0.0000 34269.7574 -149469.5119 299.2863 -183739.2693 -149374.2408 298.4344 114.3290 150.8986 556291.2263 0.9514 1.0004 PRESSURE: 1639600 -81.0392 -60.5662 107.695 -60.5666 -316.232 100.448 107.694 100.448 39.4105 GPRESSURE: 1639600 -87.6001 -15.4851 136.54 20.991 -244.492 86.7466 80.8588 53.4302 81.7966 PRESSAVG: 1639600 -43.302 -22.2589 6.09393 -22.259 -52.9969 -13.6943 6.0938 -13.6943 116.921 GPRESSAVG: 1639600 -44.4162 -23.0617 4.09068 -22.1824 -53.5022 -14.328 4.78509 -11.9976 118.387 TIMING: 1639600 CPU: 4942.65, 0.00305389/step Wall: 4942.65, 0.00305389/step, 2.85064 hours remaining, 206.937500 MB of memory in use. ENERGY: 1639600 765.4156 2061.4188 1958.8767 119.1354 -205960.0683 17607.0256 0.0000 0.0000 34200.1328 -149248.0634 298.6783 -183448.1961 -149159.3700 298.9020 -119.2869 -83.4317 556749.2131 6.8742 6.8229 PRESSURE: 1639800 278.3 39.1369 21.3125 39.1368 -190.603 -36.5864 21.3123 -36.586 97.3725 GPRESSURE: 1639800 278.196 100.285 51.6557 47.1648 -130.556 -30.8252 -8.83945 -122.556 144.391 PRESSAVG: 1639800 73.1863 -20.5254 20.1243 -20.5254 -88.648 -27.3042 20.1243 -27.3043 -0.141152 GPRESSAVG: 1639800 73.5712 -19.0042 19.2701 -20.1902 -87.6709 -27.8848 19.8799 -28.0229 -1.06789 TIMING: 1639800 CPU: 4943.25, 0.00304113/step Wall: 4943.25, 0.00304113/step, 2.83855 hours remaining, 206.937500 MB of memory in use. ENERGY: 1639800 774.2676 2059.9525 1921.7918 113.2920 -206611.1651 18048.5638 0.0000 0.0000 34353.3797 -149339.9177 300.0166 -183693.2973 -149244.9547 299.2484 61.6897 97.3434 556683.8869 -5.2009 -5.0559 PRESSURE: 1640000 -294.029 -73.196 76.0188 -73.1961 -225.382 -80.786 76.0194 -80.7861 -330.279 GPRESSURE: 1640000 -306.29 -78.0875 58.1612 -63.4686 -235.688 -146.302 106.195 -39.2366 -212.045 PRESSAVG: 1640000 51.5214 -43.9425 11.9128 -43.9426 -51.9368 -32.736 11.9127 -32.736 -2.35497 GPRESSAVG: 1640000 51.0068 -43.688 13.4171 -46.235 -51.8483 -32.8678 12.1402 -31.6251 -1.91175 TIMING: 1640000 CPU: 4943.86, 0.0030465/step Wall: 4943.86, 0.0030465/step, 2.8434 hours remaining, 206.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1640000 816.2589 2040.8740 1910.5326 110.1908 -205939.4317 17628.0188 0.0000 0.0000 34079.4616 -149354.0949 297.6244 -183433.5565 -149259.5642 298.8602 -283.2302 -251.3412 559333.7254 -0.9235 -0.9178 PRESSURE: 1640200 -43.9279 -88.4181 -46.437 -88.4172 161.615 68.706 -46.438 68.7057 263.185 GPRESSURE: 1640200 -5.51465 -117.327 -130.67 -130.573 183.902 31.8581 17.5086 -56.2824 296.756 PRESSAVG: 1640200 -73.3267 35.5249 20.3714 35.525 -22.9917 -87.8568 20.3714 -87.8568 108.467 GPRESSAVG: 1640200 -72.8925 35.4792 17.4193 36.5231 -22.691 -87.9924 22.5494 -86.63 108.212 TIMING: 1640200 CPU: 4944.48, 0.00309721/step Wall: 4944.48, 0.00309721/step, 2.89056 hours remaining, 206.937500 MB of memory in use. ENERGY: 1640200 794.9040 2055.1209 1900.6408 119.2265 -206818.8609 18027.6738 0.0000 0.0000 34424.4022 -149496.8929 300.6369 -183921.2950 -149409.6658 299.1900 126.9575 158.3810 554855.1165 4.0496 4.2096 LDB: ============= START OF LOAD BALANCING ============== 4948.01 LDB: ============== END OF LOAD BALANCING =============== 4948.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4948.01 LDB: ============= START OF LOAD BALANCING ============== 4948.32 LDB: Largest compute 4800 load 0.032495 is 27.6% of average load 0.117881 LDB: Average compute 0.001735 is 1.5% of average load 0.117881 LDB: TIME 4948.32 LOAD: AVG 0.117881 MAX 0.220227 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.301 MB LDB: TIME 4948.32 LOAD: AVG 0.117881 MAX 0.220227 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.301 MB LDB: TIME 4948.32 LOAD: AVG 0.117881 MAX 0.220227 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.301 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4948.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4948.33 PRESSURE: 1640400 103.27 35.769 74.8308 35.7671 -260.632 138.021 74.8299 138.02 293.398 GPRESSURE: 1640400 119.102 45.67 35.9816 57.2728 -230.933 176.008 68.158 105.983 347.64 PRESSAVG: 1640400 57.6042 38.6297 -22.1864 38.6297 -29.2818 68.2537 -22.1864 68.2538 49.4427 GPRESSAVG: 1640400 57.8093 37.8846 -20.2971 40.0726 -30.0394 68.4624 -25.6903 67.4099 49.5628 TIMING: 1640400 CPU: 4945.11, 0.00314082/step Wall: 4945.11, 0.00314082/step, 2.93108 hours remaining, 207.562500 MB of memory in use. ENERGY: 1640400 751.6740 2041.5696 1939.9674 121.6871 -206674.1294 17958.8435 0.0000 0.0000 34255.5631 -149604.8246 299.1624 -183860.3877 -149500.8329 298.5526 45.3452 78.6029 556882.2042 25.9217 25.7776 PRESSURE: 1640600 38.303 -138.157 46.6763 -138.158 149.281 -38.1387 46.6766 -38.1399 -100.918 GPRESSURE: 1640600 89.8111 -94.6305 19.3278 -170.73 150.794 -20.9831 62.7996 -23.8436 -60.7998 PRESSAVG: 1640600 -21.9719 6.5745 -22.7735 6.57444 -5.51649 -63.7474 -22.7735 -63.7474 26.2532 GPRESSAVG: 1640600 -22.4642 7.78399 -23.6561 6.31861 -4.84592 -63.2995 -22.1696 -63.1492 25.8669 TIMING: 1640600 CPU: 4945.73, 0.00307219/step Wall: 4945.73, 0.00307219/step, 2.86687 hours remaining, 207.562500 MB of memory in use. ENERGY: 1640600 718.3484 2132.3097 1895.5376 122.7425 -206543.7810 17758.4882 0.0000 0.0000 34266.6533 -149649.7012 299.2592 -183916.3545 -149548.8981 297.9043 28.8887 59.9352 557688.6422 -0.4117 -0.4811 PRESSURE: 1640800 -67.013 -224.14 -222.651 -224.139 139.277 -6.80121 -222.651 -6.80061 -39.7243 GPRESSURE: 1640800 -46.2311 -263.202 -142.939 -230.548 150.462 -94.2287 -266.519 17.6938 16.8161 PRESSAVG: 1640800 -0.439106 -23.3586 -30.5819 -23.3587 13.229 -78.2352 -30.5819 -78.2351 -8.34876 GPRESSAVG: 1640800 -0.732211 -22.2567 -30.6685 -23.7974 13.1048 -77.7819 -29.2783 -79.0333 -8.10356 TIMING: 1640800 CPU: 4946.33, 0.00303769/step Wall: 4946.33, 0.00303769/step, 2.83451 hours remaining, 207.562500 MB of memory in use. ENERGY: 1640800 751.2115 2026.1078 1918.6445 114.7575 -206416.3494 17899.0964 0.0000 0.0000 34126.3966 -149580.1350 298.0343 -183706.5316 -149483.4440 298.2940 10.8465 40.3491 557682.8688 1.4804 1.4230 PRESSURE: 1641000 67.2911 -94.1907 41.5828 -94.1923 70.9318 87.2711 41.5833 87.2736 141.978 GPRESSURE: 1641000 77.4659 -89.5146 57.5151 -108.708 139.547 106.19 0.377556 93.3723 153.229 PRESSAVG: 1641000 31.2022 -14.4795 -51.3334 -14.4794 -59.9846 19.5077 -51.3333 19.5077 4.9667 GPRESSAVG: 1641000 32.0541 -15.7228 -48.8084 -14.8426 -60.3557 20.3339 -50.6782 21.5625 4.59436 TIMING: 1641000 CPU: 4946.95, 0.00306509/step Wall: 4946.95, 0.00306509/step, 2.8599 hours remaining, 207.562500 MB of memory in use. ENERGY: 1641000 729.4247 2066.4148 1889.3511 115.4154 -206711.9109 18152.5016 0.0000 0.0000 34141.3418 -149617.4615 298.1648 -183758.8033 -149522.0015 298.6030 93.4005 123.4139 557213.2620 -7.9386 -7.9024 PRESSURE: 1641200 -38.8693 -4.51007 40.1012 -4.50942 -44.1706 217.615 40.1006 217.616 -63.6354 GPRESSURE: 1641200 12.4797 10.7281 -37.0778 71.2953 -37.52 137.657 48.8444 219.486 -30.1265 PRESSAVG: 1641200 -68.3654 -37.0769 -0.81167 -37.0769 15.5812 -0.45042 -0.811765 -0.450492 35.3824 GPRESSAVG: 1641200 -69.9839 -38.2516 -1.59099 -36.5948 17.0216 -0.974955 -3.27374 -2.12709 35.5598 TIMING: 1641200 CPU: 4947.56, 0.00306556/step Wall: 4947.56, 0.00306556/step, 2.86017 hours remaining, 207.562500 MB of memory in use. ENERGY: 1641200 780.1833 2092.9612 1909.8931 103.9476 -206554.8180 17859.2966 0.0000 0.0000 34215.9698 -149592.5664 298.8166 -183808.5362 -149493.9857 298.2722 -48.8918 -18.3889 557295.2578 -5.8006 -5.8008 PRESSURE: 1641400 -41.7353 81.4637 141.225 81.4638 49.7593 -78.5458 141.225 -78.5467 177.374 GPRESSURE: 1641400 -6.51227 48.246 181.534 62.4651 124.708 -35.7836 132.359 -115.669 168.637 PRESSAVG: 1641400 -18.9199 39.343 7.9125 39.343 -8.89355 -19.4523 7.91255 -19.4524 31.1082 GPRESSAVG: 1641400 -18.652 38.4967 8.87483 39.2162 -9.24801 -18.6797 8.43591 -18.3888 31.2029 TIMING: 1641400 CPU: 4948.17, 0.00304402/step Wall: 4948.17, 0.00304402/step, 2.8399 hours remaining, 207.562500 MB of memory in use. ENERGY: 1641400 760.7451 2070.7987 1912.9891 115.4442 -206866.0421 18061.3651 0.0000 0.0000 34129.6751 -149815.0249 298.0629 -183944.7000 -149719.9874 297.4845 61.7993 95.6108 556463.6632 1.0982 1.1009 PRESSURE: 1641600 -200.267 198.788 90.3516 198.788 -0.757612 -1.89824 90.352 -1.8975 -109.94 GPRESSURE: 1641600 -120.184 252.643 62.2037 137.245 5.96369 89.095 156.91 -70.6959 -101.57 PRESSAVG: 1641600 27.408 19.4084 26.3775 19.4085 -3.49209 26.9922 26.3777 26.9921 -30.6687 GPRESSAVG: 1641600 27.5715 19.8729 22.7015 19.7698 -3.34047 28.3963 28.4352 25.4252 -31.1498 TIMING: 1641600 CPU: 4948.78, 0.00308131/step Wall: 4948.78, 0.00308131/step, 2.87452 hours remaining, 207.562500 MB of memory in use. ENERGY: 1641600 746.4130 2084.8055 1889.0095 110.6651 -206326.7652 17549.4079 0.0000 0.0000 34294.9961 -149651.4680 299.5067 -183946.4641 -149545.4915 297.9385 -103.6549 -71.9301 556957.3946 -2.2509 -2.3063 PRESSURE: 1641800 -41.762 14.2417 -49.1417 14.2412 60.2673 -103.666 -49.1422 -103.666 183.94 GPRESSURE: 1641800 53.7723 -45.8217 -122.226 102.036 39.7609 -123.282 12.911 -102.747 194.252 PRESSAVG: 1641800 40.3665 41.1066 -5.92658 41.1066 -9.87966 -9.21232 -5.92656 -9.21232 12.8056 GPRESSAVG: 1641800 41.1889 41.1045 -4.6407 40.5608 -11.0363 -9.61794 -9.03669 -9.14501 12.6089 TIMING: 1641800 CPU: 4949.4, 0.00307429/step Wall: 4949.4, 0.00307429/step, 2.8678 hours remaining, 207.562500 MB of memory in use. ENERGY: 1641800 714.1517 2092.2302 1909.1960 104.4383 -205865.5897 17471.2698 0.0000 0.0000 34043.8064 -149530.4972 297.3130 -183574.3037 -149438.8082 298.0078 67.4816 95.9285 556244.3866 14.4308 14.2538 PRESSURE: 1642000 42.5401 63.5202 22.6457 63.5204 160.701 -60.816 22.6462 -60.8171 103.122 GPRESSURE: 1642000 93.686 96.2082 88.3026 77.1933 152.825 -81.5678 -48.8921 -7.87382 181.878 PRESSAVG: 1642000 35.6124 11.3315 -51.9735 11.3315 -9.34183 -47.314 -51.9736 -47.3141 -5.44737 GPRESSAVG: 1642000 34.8688 11.7572 -52.5953 9.44063 -8.12739 -48.5259 -50.1266 -46.6101 -5.48978 TIMING: 1642000 CPU: 4950.01, 0.00303927/step Wall: 4950.01, 0.00303927/step, 2.83496 hours remaining, 207.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1642000 717.2224 2056.4777 1921.3114 107.2179 -206573.6831 17900.9076 0.0000 0.0000 34149.6060 -149720.9401 298.2370 -183870.5461 -149622.4928 297.9322 102.1211 142.7961 554125.7964 6.9411 7.0839 PRESSURE: 1642200 129.449 -79.2339 51.6396 -79.2343 -307.338 206.628 51.6405 206.629 -270.683 GPRESSURE: 1642200 95.9308 -82.5946 54.7254 47.4742 -265.019 195.207 118.795 204.024 -181.772 PRESSAVG: 1642200 35.9024 9.36998 30.3639 9.37001 -47.2002 3.98187 30.364 3.98178 -22.3932 GPRESSAVG: 1642200 35.1108 10.7715 31.1453 11.2758 -47.1623 2.06225 30.2896 5.53715 -21.5912 TIMING: 1642200 CPU: 4950.62, 0.00306282/step Wall: 4950.62, 0.00306282/step, 2.85676 hours remaining, 207.562500 MB of memory in use. ENERGY: 1642200 760.4766 2156.5685 1928.4137 116.6047 -206132.4909 17534.6646 0.0000 0.0000 34151.2646 -149484.4981 298.2515 -183635.7627 -149390.7693 298.3730 -149.5242 -116.9533 558088.0390 -11.2303 -11.2142 PRESSURE: 1642400 -95.6181 133.468 37.2679 133.467 -254.973 48.4529 37.2681 48.4535 11.6412 GPRESSURE: 1642400 -8.5262 172.19 17.6397 137.279 -205.903 65.0814 -21.9843 3.96276 -24.5175 PRESSAVG: 1642400 51.8135 29.8493 -36.0826 29.8493 -13.2947 48.6142 -36.0826 48.6141 -4.8649 GPRESSAVG: 1642400 51.8586 30.9259 -34.0686 28.6401 -13.9496 49.8908 -37.9424 48.9789 -4.30767 TIMING: 1642400 CPU: 4951.23, 0.00306877/step Wall: 4951.23, 0.00306877/step, 2.86214 hours remaining, 207.562500 MB of memory in use. ENERGY: 1642400 772.1442 2098.2303 1914.1664 116.0199 -206141.6724 17711.9732 0.0000 0.0000 34185.4900 -149343.6485 298.5504 -183529.1384 -149251.0624 298.9714 -112.9832 -79.6489 557804.5014 11.2180 11.2004 PRESSURE: 1642600 34.8184 55.5077 -112.465 55.5067 -314.883 -105.958 -112.466 -105.959 -80.4751 GPRESSURE: 1642600 23.4349 76.2542 -114.433 95.7191 -253.98 -121.985 -55.6951 -192.215 -28.3437 PRESSAVG: 1642600 24.5695 42.6195 31.607 42.6194 -42.8885 4.35691 31.6069 4.357 45.402 GPRESSAVG: 1642600 24.6619 40.2159 28.8713 43.7227 -42.4038 3.15388 32.5583 4.79638 45.2247 TIMING: 1642600 CPU: 4951.84, 0.00302847/step Wall: 4951.84, 0.00302847/step, 2.82439 hours remaining, 207.562500 MB of memory in use. ENERGY: 1642600 699.5085 2080.8997 1931.4609 117.3613 -206012.8237 17630.7081 0.0000 0.0000 34161.2223 -149391.6629 298.3385 -183552.8852 -149293.5393 299.5699 -120.1799 -86.2964 558465.7899 9.0276 9.1609 PRESSURE: 1642800 106.722 -48.104 -10.5186 -48.1046 50.6585 37.4943 -10.5181 37.4961 13.6987 GPRESSURE: 1642800 142.349 -77.9383 -92.5446 22.116 50.8584 50.712 -17.2702 2.70812 60.0217 PRESSAVG: 1642800 19.6897 7.53726 -13.1635 7.53733 -43.3283 -12.0374 -13.1634 -12.0374 23.9096 GPRESSAVG: 1642800 20.6645 8.71841 -9.02895 7.01633 -43.208 -12.3496 -15.4441 -12.5875 23.4997 TIMING: 1642800 CPU: 4952.45, 0.0030396/step Wall: 4952.45, 0.0030396/step, 2.83459 hours remaining, 207.562500 MB of memory in use. ENERGY: 1642800 748.6292 2038.4561 1907.8348 97.8985 -206469.2786 17880.6883 0.0000 0.0000 34310.9732 -149484.7986 299.6463 -183795.7718 -149392.1169 298.6944 57.0264 84.4095 557757.6526 0.0903 0.3187 PRESSURE: 1643000 67.3256 91.2327 -127.295 91.2331 -189.701 101.967 -127.295 101.965 41.8772 GPRESSURE: 1643000 101.467 47.5434 -132.778 37.6957 -150.845 139.825 -58.4105 91.349 64.3348 PRESSAVG: 1643000 38.6058 2.6237 -63.5197 2.62365 -13.8315 17.106 -63.5197 17.106 -21.5498 GPRESSAVG: 1643000 38.2138 3.13346 -66.2777 1.52094 -12.8987 17.2109 -62.5825 16.8319 -21.1577 TIMING: 1643000 CPU: 4953.06, 0.00306462/step Wall: 4953.06, 0.00306462/step, 2.85776 hours remaining, 207.562500 MB of memory in use. ENERGY: 1643000 720.3598 2113.0273 1948.4573 108.3176 -206297.4935 17790.6327 0.0000 0.0000 34275.8387 -149340.8601 299.3394 -183616.6988 -149245.5859 298.3339 -26.8328 4.9858 557610.7713 1.0748 1.3858 PRESSURE: 1643200 121.687 -14.8883 -15.5903 -14.8886 164.337 -51.2589 -15.5914 -51.2599 104.063 GPRESSURE: 1643200 135.787 -60.1075 -43.9809 -10.0689 197.919 -41.8346 15.4128 -61.1802 159.557 PRESSAVG: 1643200 53.1429 19.7546 -11.682 19.7547 27.1657 30.4824 -11.6819 30.4825 -73.5848 GPRESSAVG: 1643200 53.4041 18.0102 -11.411 20.8531 26.0106 30.7389 -11.2647 30.8289 -73.1198 TIMING: 1643200 CPU: 4953.67, 0.0030508/step Wall: 4953.67, 0.0030508/step, 2.8447 hours remaining, 207.562500 MB of memory in use. ENERGY: 1643200 758.5242 2075.8399 1905.7317 114.4179 -206291.5176 17893.0249 0.0000 0.0000 34199.4665 -149344.5126 298.6724 -183543.9791 -149252.9550 298.3112 130.0287 164.4209 556762.4416 2.2413 2.0983 PRESSURE: 1643400 -78.0317 -36.9645 -61.9438 -36.9632 -112.304 101.187 -61.9435 101.189 91.5891 GPRESSURE: 1643400 -72.3866 14.1958 -62.8249 -22.9168 -79.4102 65.7726 -126.511 194.876 150.626 PRESSAVG: 1643400 6.68255 30.2539 -33.0727 30.2539 -26.597 12.4759 -33.0727 12.4759 19.7886 GPRESSAVG: 1643400 6.52995 28.7289 -33.3173 30.3446 -26.0301 11.2763 -31.7279 12.8342 19.7425 TIMING: 1643400 CPU: 4954.28, 0.00303845/step Wall: 4954.28, 0.00303845/step, 2.83302 hours remaining, 207.562500 MB of memory in use. ENERGY: 1643400 759.3123 2083.0656 1916.4613 119.6122 -205907.8234 17560.8377 0.0000 0.0000 34271.7536 -149196.7806 299.3037 -183468.5343 -149102.1333 299.0477 -32.9154 -0.3902 557222.3340 -0.0419 0.0808 PRESSURE: 1643600 -81.3074 154.478 162.436 154.478 -198.871 67.3478 162.435 67.3496 34.8078 GPRESSURE: 1643600 -41.9426 124.183 69.2473 107.606 -147.511 49.8584 271.519 64.0639 49.7847 PRESSAVG: 1643600 -17.7208 41.4702 -18.7431 41.4703 -71.4928 58.7107 -18.7432 58.7106 74.1106 GPRESSAVG: 1643600 -17.0373 42.963 -22.0082 40.5496 -71.1547 60.9994 -17.5624 59.0015 72.8432 TIMING: 1643600 CPU: 4954.88, 0.00302659/step Wall: 4954.88, 0.00302659/step, 2.82179 hours remaining, 207.562500 MB of memory in use. ENERGY: 1643600 752.3876 2129.7788 1904.8002 115.1208 -206103.3649 17678.3700 0.0000 0.0000 34450.3576 -149072.5498 300.8635 -183522.9074 -148977.2035 299.8499 -81.7903 -46.5564 557462.2687 -5.0343 -5.1162 PRESSURE: 1643800 22.1865 94.518 -16.728 94.5178 28.3028 -108.785 -16.7288 -108.787 -116.336 GPRESSURE: 1643800 54.8498 43.619 -38.2957 62.0108 79.5146 -175.538 -30.5057 -58.2519 -108.339 PRESSAVG: 1643800 87.8615 3.60528 55.3071 3.60525 -70.4961 2.70765 55.3071 2.70752 -5.81882 GPRESSAVG: 1643800 86.7376 4.06057 60.4118 4.75214 -70.7004 3.88741 50.3341 2.99632 -5.05551 TIMING: 1643800 CPU: 4955.48, 0.00300984/step Wall: 4955.48, 0.00300984/step, 2.80601 hours remaining, 207.562500 MB of memory in use. ENERGY: 1643800 798.2539 2107.3910 1902.8875 100.6577 -205881.8168 17763.2198 0.0000 0.0000 34281.6545 -148927.7526 299.3902 -183209.4071 -148825.3694 299.5099 -21.9490 8.6750 558664.6385 3.8489 3.6605 PRESSURE: 1644000 8.68051 -81.1451 -26.7324 -81.146 -139.122 243.452 -26.7317 243.452 -36.9739 GPRESSURE: 1644000 27.3058 -46.7778 37.5217 -26.83 -129.065 216.577 -79.5861 270.072 23.4094 PRESSAVG: 1644000 18.5125 16.2534 -74.1016 16.2535 -1.15042 33.7956 -74.1015 33.7955 -13.0372 GPRESSAVG: 1644000 18.9572 15.0361 -75.368 16.8849 -1.67701 32.1523 -70.0107 32.9744 -13.3182 TIMING: 1644000 CPU: 4956.09, 0.00303117/step Wall: 4956.09, 0.00303117/step, 2.82572 hours remaining, 207.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1644000 742.4489 2114.9755 1919.0159 101.8503 -206094.7440 17878.6423 0.0000 0.0000 34330.8057 -149007.0055 299.8195 -183337.8112 -148911.7892 299.9242 -55.8050 -26.1167 558687.5255 1.4416 1.3207 PRESSURE: 1644200 -73.5952 -13.6308 60.6416 -13.6304 -113.026 -8.51324 60.6422 -8.51498 -237.769 GPRESSURE: 1644200 0.441562 15.1491 53.9947 -26.0153 -128.473 2.31512 -30.0493 19.519 -189.033 PRESSAVG: 1644200 82.906 11.8405 -35.0404 11.8405 -65.3358 52.2584 -35.0405 52.2583 -27.7727 GPRESSAVG: 1644200 81.7612 11.0711 -33.9371 12.6868 -65.229 52.5029 -36.4873 52.0355 -26.6933 TIMING: 1644200 CPU: 4956.7, 0.00304485/step Wall: 4956.7, 0.00304485/step, 2.83831 hours remaining, 207.562500 MB of memory in use. ENERGY: 1644200 768.2889 2071.2301 1947.2593 127.1355 -205973.9002 17671.0794 0.0000 0.0000 34472.0392 -148916.8678 301.0529 -183388.9070 -148807.6618 300.2971 -141.4635 -105.6882 557725.0557 -3.4008 -3.3870 LDB: ============= START OF LOAD BALANCING ============== 4960.22 LDB: ============== END OF LOAD BALANCING =============== 4960.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4960.23 LDB: ============= START OF LOAD BALANCING ============== 4960.54 LDB: Largest compute 4800 load 0.031500 is 26.7% of average load 0.117937 LDB: Average compute 0.001729 is 1.5% of average load 0.117937 LDB: TIME 4960.54 LOAD: AVG 0.117937 MAX 0.224654 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.105 MB LDB: TIME 4960.54 LOAD: AVG 0.117937 MAX 0.224654 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.164 MB LDB: TIME 4960.54 LOAD: AVG 0.117937 MAX 0.224654 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.164 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4960.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4960.55 PRESSURE: 1644400 126.171 -143.267 189.405 -143.267 -124.721 103.615 189.406 103.614 57.9128 GPRESSURE: 1644400 166.228 -103.529 198.983 -132.413 -75.8645 156.911 149.399 102.719 70.3068 PRESSAVG: 1644400 25.3161 18.67 -8.57305 18.67 -27.0496 67.1547 -8.57304 67.1547 25.981 GPRESSAVG: 1644400 26.2509 21.4002 -10.8215 15.9257 -26.2472 68.3348 -7.60098 68.1565 23.4374 TIMING: 1644400 CPU: 4957.33, 0.00314446/step Wall: 4957.33, 0.00314446/step, 2.93099 hours remaining, 208.648438 MB of memory in use. ENERGY: 1644400 737.7645 2108.0063 1931.0548 116.7010 -206096.3500 17932.3859 0.0000 0.0000 34365.6427 -148904.7947 300.1237 -183270.4374 -148809.2966 300.2548 19.7876 53.5568 555985.5858 8.0825 7.8137 PRESSURE: 1644600 264.754 -24.3472 15.7023 -24.3473 106.241 -47.6416 15.703 -47.6418 63.9397 GPRESSURE: 1644600 265.536 -36.7948 -3.17198 18.144 154.562 -5.11462 49.8723 -17.5135 114.609 PRESSAVG: 1644600 8.52302 -17.6274 27.7565 -17.6274 -30.193 1.82089 27.7564 1.82091 23.6012 GPRESSAVG: 1644600 7.03904 -18.9863 28.8058 -17.0308 -30.2355 2.07737 27.6741 0.739053 25.433 TIMING: 1644600 CPU: 4957.94, 0.00303197/step Wall: 4957.94, 0.00303197/step, 2.82596 hours remaining, 208.851562 MB of memory in use. ENERGY: 1644600 714.9922 2117.6916 1934.3447 130.3689 -206171.7761 17895.1881 0.0000 0.0000 34341.0776 -149038.1129 299.9092 -183379.1905 -148942.7056 300.0943 144.9785 178.2355 556114.0448 0.6437 0.7455 PRESSURE: 1644800 -71.8293 -124.909 -46.3202 -124.909 147.71 -33.0604 -46.3202 -33.0606 -80.8847 GPRESSURE: 1644800 -13.2891 -153.369 -139.287 -136.913 130.426 -1.84816 -2.16375 -131.306 -26.5508 PRESSAVG: 1644800 78.2631 -29.2215 -6.28661 -29.2214 15.7877 11.2995 -6.28648 11.2996 -91.0211 GPRESSAVG: 1644800 79.5302 -29.8781 -6.52551 -27.113 14.5926 9.22252 -7.21237 11.3983 -90.8989 TIMING: 1644800 CPU: 4958.53, 0.00299826/step Wall: 4958.53, 0.00299826/step, 2.79437 hours remaining, 209.046875 MB of memory in use. ENERGY: 1644800 789.9173 2167.9391 1914.1360 118.2448 -205604.9159 17579.4656 0.0000 0.0000 34086.8905 -148948.3228 297.6893 -183035.2132 -148859.5780 300.3278 -1.6681 30.1953 556202.7498 1.0099 1.0746 PRESSURE: 1645000 -46.119 -115.971 119.683 -115.971 -151.338 -122.893 119.683 -122.892 -296.626 GPRESSURE: 1645000 -45.5413 -51.6201 106.036 -148.61 -83.9943 -84.672 127.447 -83.0669 -265.604 PRESSAVG: 1645000 17.6343 -15.2503 74.6089 -15.2503 -2.22767 30.8987 74.609 30.8987 -21.391 GPRESSAVG: 1645000 16.8269 -15.1708 74.3475 -17.599 -0.641562 31.4877 73.7406 31.2522 -22.3583 TIMING: 1645000 CPU: 4959.14, 0.00303061/step Wall: 4959.14, 0.00303061/step, 2.82436 hours remaining, 209.046875 MB of memory in use. ENERGY: 1645000 766.4612 2152.6642 1913.4595 115.9114 -205923.6807 17570.3850 0.0000 0.0000 34283.4916 -149121.3079 299.4063 -183404.7995 -149030.0724 299.7741 -164.6942 -131.7131 556501.8456 -1.9948 -2.0577 PRESSURE: 1645200 22.2299 36.5547 -92.1433 36.553 -207.898 44.9631 -92.143 44.9616 -178.179 GPRESSURE: 1645200 86.5613 3.60086 -94.4565 88.9712 -192.002 56.9087 -63.9244 -23.4376 -168.985 PRESSAVG: 1645200 3.13207 -27.6704 19.9931 -27.6706 27.5282 -65.4636 19.9933 -65.4636 -21.3347 GPRESSAVG: 1645200 3.28381 -27.7249 21.389 -27.7267 26.0982 -64.1863 22.126 -65.3793 -20.3194 TIMING: 1645200 CPU: 4959.75, 0.0030609/step Wall: 4959.75, 0.0030609/step, 2.85242 hours remaining, 209.046875 MB of memory in use. ENERGY: 1645200 741.0966 2091.8508 1920.2030 122.6361 -206101.3201 17642.8693 0.0000 0.0000 34290.4772 -149292.1871 299.4673 -183582.6643 -149194.1872 299.2126 -121.2823 -91.4753 556940.1311 3.1085 3.0209 PRESSURE: 1645400 -7.14878 6.12364 -14.2503 6.12378 102.551 48.7657 -14.2509 48.7661 -90.9635 GPRESSURE: 1645400 -24.9779 37.3129 32.0346 22.5436 151.463 88.43 -19.8588 12.2695 -21.9358 PRESSAVG: 1645400 -23.5951 -38.754 16.8005 -38.7541 -1.28531 -44.3349 16.8006 -44.3349 37.45 GPRESSAVG: 1645400 -24.9196 -38.8424 15.9407 -37.0501 -0.698593 -47.5133 15.1213 -45.2273 37.9508 TIMING: 1645400 CPU: 4960.36, 0.00305185/step Wall: 4960.36, 0.00305185/step, 2.84382 hours remaining, 209.046875 MB of memory in use. ENERGY: 1645400 730.7470 2158.2121 1947.3871 117.5445 -206166.8494 17879.9631 0.0000 0.0000 34159.6936 -149173.3020 298.3251 -183332.9956 -149075.5898 299.5371 1.4795 34.8496 557553.0626 4.1899 4.1109 PRESSURE: 1645600 258.897 -22.6624 2.87128 -22.6623 149.771 -11.7519 2.87268 -11.7518 115.477 GPRESSURE: 1645600 302.837 -9.38843 -21.8754 -49.7282 140.024 -65.4697 41.3834 31.4734 167.905 PRESSAVG: 1645600 -67.7431 -69.5777 37.592 -69.5778 84.578 -11.6346 37.592 -11.6346 -6.00708 GPRESSAVG: 1645600 -66.4434 -68.7282 38.1214 -72.635 84.42 -8.61712 37.049 -12.2462 -6.77662 TIMING: 1645600 CPU: 4960.98, 0.00305885/step Wall: 4960.98, 0.00305885/step, 2.85017 hours remaining, 209.046875 MB of memory in use. ENERGY: 1645600 717.1438 2139.5917 1936.3284 118.5467 -206287.8031 18005.8841 0.0000 0.0000 34240.5545 -149129.7538 299.0313 -183370.3084 -149029.4362 298.9208 174.7150 203.5886 555946.4948 3.6093 3.7333 PRESSURE: 1645800 -114.638 92.4989 181.775 92.4982 41.3303 29.9213 181.775 29.9193 11.3874 GPRESSURE: 1645800 -68.1628 28.9977 129.76 168.4 99.3848 86.8102 211.615 4.9158 12.8661 PRESSAVG: 1645800 -48.4566 -22.3536 34.7353 -22.3537 80.8944 7.29671 34.7354 7.29676 -1.97231 GPRESSAVG: 1645800 -47.8651 -24.7586 34.3524 -18.4084 80.9529 7.00847 35.4541 8.59706 -1.97991 TIMING: 1645800 CPU: 4961.58, 0.00301383/step Wall: 4961.58, 0.00301383/step, 2.80805 hours remaining, 209.046875 MB of memory in use. ENERGY: 1645800 738.9573 2099.4060 1947.4785 123.2889 -206079.7168 17670.3475 0.0000 0.0000 34309.7587 -149190.4798 299.6357 -183500.2385 -149100.1089 300.5520 -20.6401 14.6961 554781.9365 10.1552 10.3693 PRESSURE: 1646000 116.739 -42.4105 -21.1048 -42.4091 -177.584 -124.989 -21.104 -124.989 101.207 GPRESSURE: 1646000 216.943 -21.6449 -15.1222 -45.497 -199.361 -134.329 -9.61717 -135.159 114.699 PRESSAVG: 1646000 23.2442 -17.1236 22.335 -17.1237 35.0495 -64.7001 22.335 -64.7002 -15.917 GPRESSAVG: 1646000 22.9249 -17.2383 23.6081 -19.3562 35.4301 -65.1416 23.1618 -65.5851 -16.0833 TIMING: 1646000 CPU: 4962.18, 0.00300925/step Wall: 4962.18, 0.00300925/step, 2.80362 hours remaining, 209.046875 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: 1646000 777.9029 2127.0537 1912.2953 121.9748 -206334.7967 17757.6843 0.0000 0.0000 34370.5565 -149267.3291 300.1666 -183637.8856 -149162.4292 299.3719 13.4538 44.0936 555753.4326 14.1256 14.0906 PRESSURE: 1646200 -44.6965 12.3821 148.586 12.3829 -99.1773 -202.155 148.587 -202.154 -100.534 GPRESSURE: 1646200 -12.6535 44.4286 163.251 -27.6734 -52.0645 -151.477 78.37 -269.358 -79.6971 PRESSAVG: 1646200 -34.8313 5.34713 33.2024 5.34707 23.009 -77.9763 33.2024 -77.9763 -5.55863 GPRESSAVG: 1646200 -35.5664 6.78024 32.5774 6.85556 23.2105 -78.8253 31.9955 -75.6628 -5.38753 TIMING: 1646200 CPU: 4962.79, 0.00305635/step Wall: 4962.79, 0.00305635/step, 2.84733 hours remaining, 209.046875 MB of memory in use. ENERGY: 1646200 772.6125 2090.3793 1935.7656 116.3662 -205733.7994 17492.0255 0.0000 0.0000 34147.7206 -149178.9297 298.2205 -183326.6502 -149083.5517 299.2564 -81.4694 -48.1383 557063.7860 -5.7937 -5.9145 PRESSURE: 1646400 -114.292 -81.5404 -205.279 -81.5408 -44.6988 16.9667 -205.281 16.9673 -217.989 GPRESSURE: 1646400 -60.3625 -14.6745 -200.319 -120.216 -40.7611 -34.1409 -231.427 38.3838 -172.915 PRESSAVG: 1646400 -26.702 -63.9142 -16.2004 -63.9143 31.3145 7.15797 -16.2004 7.15796 -14.041 GPRESSAVG: 1646400 -26.5948 -63.5968 -17.1906 -64.6858 30.3284 8.22517 -16.074 5.25182 -13.3973 TIMING: 1646400 CPU: 4963.4, 0.00303438/step Wall: 4963.4, 0.00303438/step, 2.8267 hours remaining, 209.046875 MB of memory in use. ENERGY: 1646400 754.6818 2164.7183 1936.1629 109.8314 -205726.2894 17388.1069 0.0000 0.0000 34247.1718 -149125.6162 299.0891 -183372.7880 -149031.5687 298.9723 -125.6600 -91.3462 556731.0329 -3.1428 -3.2213 PRESSURE: 1646600 105.806 -88.8167 50.4437 -88.8162 197.428 -139.411 50.4447 -139.412 73.3263 GPRESSURE: 1646600 141.816 -104.316 13.4786 -85.5266 165.512 -71.8446 64.418 -210.029 174.474 PRESSAVG: 1646600 -16.2175 -8.06716 -2.20018 -8.06713 5.26278 -7.31585 -2.20026 -7.31599 10.6265 GPRESSAVG: 1646600 -16.2519 -10.5702 -2.55984 -8.32501 6.04897 -8.0943 -1.09508 -6.15427 9.41819 TIMING: 1646600 CPU: 4964.01, 0.0030393/step Wall: 4964.01, 0.0030393/step, 2.83111 hours remaining, 209.183594 MB of memory in use. ENERGY: 1646600 766.0638 2104.6844 1935.2753 128.1608 -206470.4557 17932.3883 0.0000 0.0000 34523.0565 -149080.8266 301.4984 -183603.8831 -148980.0941 299.4949 125.5201 160.6006 555738.9074 -0.1094 -0.2616 PRESSURE: 1646800 198.55 -5.98465 -104.833 -5.98348 -169.029 -78.2969 -104.834 -78.2969 -42.1111 GPRESSURE: 1646800 236.533 -41.6691 -33.7094 -7.72306 -99.6704 -248.64 -69.4714 30.1452 -40.7761 PRESSAVG: 1646800 -16.5095 -14.3295 -44.2748 -14.3293 23.5832 -51.9825 -44.2748 -51.9825 10.682 GPRESSAVG: 1646800 -16.2942 -13.5172 -43.34 -14.3995 22.9921 -52.0658 -45.8919 -53.361 10.6141 TIMING: 1646800 CPU: 4964.61, 0.00302875/step Wall: 4964.61, 0.00302875/step, 2.82111 hours remaining, 209.183594 MB of memory in use. ENERGY: 1646800 753.0609 2132.6114 1909.8571 115.6072 -206148.9258 17761.7608 0.0000 0.0000 34310.5939 -149165.4346 299.6429 -183476.0284 -149069.5075 300.0814 -4.1967 32.0289 556451.2463 5.9186 5.7707 PRESSURE: 1647000 -241.304 100.575 50.0858 100.575 -64.1321 102.897 50.0858 102.896 -10.7941 GPRESSURE: 1647000 -194.959 105.233 161.778 85.3819 -57.1768 100.932 1.89392 105.41 32.0722 PRESSAVG: 1647000 -12.1852 -10.7128 -4.30225 -10.7128 41.8156 21.9197 -4.30226 21.9197 -18.242 GPRESSAVG: 1647000 -10.6636 -7.18026 -4.85626 -10.7084 40.7508 23.1526 -2.66135 23.8789 -18.7863 TIMING: 1647000 CPU: 4965.22, 0.00304406/step Wall: 4965.22, 0.00304406/step, 2.83521 hours remaining, 209.183594 MB of memory in use. ENERGY: 1647000 747.9467 2158.1925 1886.8375 114.9977 -206176.3873 17785.4558 0.0000 0.0000 34253.5956 -149229.3615 299.1452 -183482.9571 -149135.0716 300.0180 -105.4100 -73.3546 557979.3487 3.7961 3.7670 PRESSURE: 1647200 -120.437 -169.158 -37.7084 -169.159 -191.149 139.036 -37.7085 139.035 48.5599 GPRESSURE: 1647200 -53.8163 -53.7448 -26.8325 -277.992 -184.33 123.038 -65.9611 142.738 72.5299 PRESSAVG: 1647200 26.1931 38.7914 -24.3244 38.7915 29.6386 90.1999 -24.3244 90.1998 -25.1798 GPRESSAVG: 1647200 25.1758 35.7398 -23.94 37.8612 30.1345 90.7374 -24.741 86.7645 -24.7581 TIMING: 1647200 CPU: 4965.83, 0.003067/step Wall: 4965.83, 0.003067/step, 2.8564 hours remaining, 209.183594 MB of memory in use. ENERGY: 1647200 741.7892 2131.2554 1924.2308 108.9748 -206192.7370 17712.1590 0.0000 0.0000 34402.4301 -149171.8977 300.4450 -183574.3278 -149073.3444 299.4917 -87.6754 -55.2056 559323.2878 10.2173 10.1841 PRESSURE: 1647400 -319.034 -74.4001 22.8438 -74.3993 32.1765 -31.4382 22.845 -31.4373 211.37 GPRESSURE: 1647400 -262.718 -68.9018 29.881 4.73404 36.0762 33.0219 16.8048 -83.7602 244.912 PRESSAVG: 1647400 -37.2112 -14.8918 -5.54087 -14.8919 65.3674 26.9125 -5.5409 26.9125 -11.5399 GPRESSAVG: 1647400 -38.2857 -12.4369 -7.1802 -12.7762 66.7144 24.7353 -5.95617 28.798 -11.7784 TIMING: 1647400 CPU: 4966.45, 0.00305538/step Wall: 4966.45, 0.00305538/step, 2.84541 hours remaining, 209.183594 MB of memory in use. ENERGY: 1647400 726.0509 2102.0444 1912.2663 116.5342 -206232.0676 17880.0124 0.0000 0.0000 34264.1693 -149230.9901 299.2375 -183495.1594 -149134.6553 299.3733 -25.1627 6.0901 558569.6496 5.5387 5.5501 PRESSURE: 1647600 217.824 -85.3562 96.7533 -85.3555 102.832 39.9339 96.7523 39.9354 154.445 GPRESSURE: 1647600 299.062 -10.7232 69.0582 -55.2324 119.909 -16.3014 54.1253 24.8267 142.947 PRESSAVG: 1647600 -25.0116 12.6166 -8.98073 12.6167 34.4678 39.7707 -8.9807 39.7708 -5.59368 GPRESSAVG: 1647600 -23.7448 11.7868 -5.44432 13.0525 33.3839 40.939 -10.8959 40.3053 -5.7489 TIMING: 1647600 CPU: 4967.05, 0.00303931/step Wall: 4967.05, 0.00303931/step, 2.83027 hours remaining, 209.183594 MB of memory in use. ENERGY: 1647600 708.9165 2072.0451 1918.8579 110.5101 -206446.7979 18058.7652 0.0000 0.0000 34300.7901 -149276.9130 299.5573 -183577.7031 -149173.4118 299.1690 158.3668 187.3060 557209.9643 1.2875 1.2967 PRESSURE: 1647800 78.3306 -112.74 -38.0164 -112.74 131.902 -50.0276 -38.016 -50.0269 -118.938 GPRESSURE: 1647800 100.597 -156.755 -155.608 -89.7136 118.425 31.5106 -84.2013 -131.13 -24.8667 PRESSAVG: 1647800 -0.232246 -39.8915 -21.0367 -39.8915 67.1588 75.4985 -21.0368 75.4985 -10.1146 GPRESSAVG: 1647800 -0.58866 -38.3612 -22.0558 -42.5899 66.8981 75.4006 -19.4632 73.6998 -10.0763 TIMING: 1647800 CPU: 4967.66, 0.00305927/step Wall: 4967.66, 0.00305927/step, 2.84869 hours remaining, 209.183594 MB of memory in use. ENERGY: 1647800 731.8257 2097.6464 1878.0797 105.5599 -206044.5200 17870.5789 0.0000 0.0000 34225.8096 -149135.0197 298.9025 -183360.8293 -149036.3173 299.2623 30.4316 64.7184 557078.6773 18.9373 18.7444 PRESSURE: 1648000 -278.496 96.6473 137.926 96.6467 14.3521 34.0868 137.926 34.0861 82.6738 GPRESSURE: 1648000 -259.075 81.6807 162.365 48.2505 34.2328 85.045 17.1046 -94.2686 136.415 PRESSAVG: 1648000 -50.7237 -4.73307 5.52441 -4.73303 -4.85049 24.4526 5.52444 24.4527 0.862258 GPRESSAVG: 1648000 -51.7521 -4.48373 2.85769 -4.62384 -4.71108 24.7998 6.45017 24.1605 2.0138 TIMING: 1648000 CPU: 4968.28, 0.00305615/step Wall: 4968.28, 0.00305615/step, 2.84562 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: 1648000 745.2838 2082.1190 1909.0483 121.3304 -206340.4202 17841.2172 0.0000 0.0000 34324.8130 -149316.6085 299.7671 -183641.4215 -149228.8726 298.6978 -60.4899 -29.4757 556486.4987 -18.2373 -18.1498 PRESSURE: 1648200 -107.315 238.608 25.7233 238.609 -62.1193 21.3606 25.7245 21.3609 -82.04 GPRESSURE: 1648200 -105.955 205.943 80.33 194.484 20.5626 -3.07858 64.61 49.1372 -69.4931 PRESSAVG: 1648200 1.824 -9.0185 53.2423 -9.01847 -11.9163 -42.2082 53.2423 -42.2082 5.92482 GPRESSAVG: 1648200 2.57888 -10.4273 54.3344 -8.53933 -11.9908 -41.5483 55.0635 -42.471 4.90605 TIMING: 1648200 CPU: 4968.89, 0.00308706/step Wall: 4968.89, 0.00308706/step, 2.87422 hours remaining, 209.183594 MB of memory in use. ENERGY: 1648200 730.4063 2128.4091 1925.6297 117.6519 -206459.2734 17837.1602 0.0000 0.0000 34268.3422 -149451.6739 299.2740 -183720.0161 -149354.0773 298.8097 -83.8248 -51.6285 557299.4713 -1.3892 -1.5020 LDB: ============= START OF LOAD BALANCING ============== 4972.41 LDB: ============== END OF LOAD BALANCING =============== 4972.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4972.42 LDB: ============= START OF LOAD BALANCING ============== 4972.72 LDB: Largest compute 4800 load 0.032489 is 27.5% of average load 0.117944 LDB: Average compute 0.001738 is 1.5% of average load 0.117944 LDB: TIME 4972.72 LOAD: AVG 0.117944 MAX 0.218985 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.207 MB LDB: TIME 4972.72 LOAD: AVG 0.117944 MAX 0.218985 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.273 MB LDB: TIME 4972.72 LOAD: AVG 0.117944 MAX 0.218985 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.273 MB LDB: ============== END OF LOAD BALANCING =============== 4972.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4972.73 PRESSURE: 1648400 -85.3412 -4.29657 -10.468 -4.2972 -186.563 97.3405 -10.4678 97.3422 245.206 GPRESSURE: 1648400 -96.0802 -25.7336 29.9873 -29.7258 -134.831 49.8308 40.9268 110.727 294.169 PRESSAVG: 1648400 -99.8885 -43.2514 -31.5263 -43.2514 -19.1108 31.5744 -31.5263 31.5744 98.2287 GPRESSAVG: 1648400 -100.878 -42.3389 -28.9039 -43.2192 -19.3614 30.3239 -34.5018 33.2174 98.9037 TIMING: 1648400 CPU: 4969.51, 0.00309458/step Wall: 4969.51, 0.00309458/step, 2.88106 hours remaining, 208.527344 MB of memory in use. ENERGY: 1648400 702.1162 2038.7255 1969.8601 123.6458 -206519.7744 17917.3233 0.0000 0.0000 34328.5311 -149439.5723 299.7996 -183768.1034 -149346.5278 298.7194 -8.8993 21.0860 556700.4845 -6.9235 -7.1120 PRESSURE: 1648600 -332.96 -88.7958 198.695 -88.7958 -47.6378 -131.489 198.695 -131.49 -533.593 GPRESSURE: 1648600 -300.448 -151.62 175.47 -37.228 -30.7703 -67.5213 147.225 -95.4412 -494.674 PRESSAVG: 1648600 36.7326 -1.62251 -41.4437 -1.62259 -47.6203 19.9349 -41.4436 19.935 7.82592 GPRESSAVG: 1648600 37.218 -3.09721 -46.1591 -0.55261 -48.0607 19.1657 -37.2735 20.9211 7.7413 TIMING: 1648600 CPU: 4970.12, 0.00305408/step Wall: 4970.12, 0.00305408/step, 2.84318 hours remaining, 208.730469 MB of memory in use. ENERGY: 1648600 750.1902 2092.8896 1907.8145 98.8986 -205705.7126 17235.9524 0.0000 0.0000 34038.5715 -149581.3958 297.2673 -183619.9673 -149479.2408 298.1553 -304.7304 -275.2974 558797.2369 -1.0206 -1.0338 PRESSURE: 1648800 -63.0757 -9.50582 153.281 -9.50697 127.574 -36.0839 153.281 -36.0835 181.615 GPRESSURE: 1648800 -19.9937 30.3135 148.061 32.5652 198.119 -25.3418 233.199 51.767 164.965 PRESSAVG: 1648800 -2.74546 33.0954 0.0478308 33.0953 32.9415 5.64264 0.047804 5.64267 -28.9019 GPRESSAVG: 1648800 -2.57268 34.4935 2.83209 31.302 32.5914 7.57155 -2.14241 4.75277 -29.0737 TIMING: 1648800 CPU: 4970.74, 0.00307317/step Wall: 4970.74, 0.00307317/step, 2.86078 hours remaining, 208.730469 MB of memory in use. ENERGY: 1648800 709.2969 2123.4232 1938.4047 98.9296 -206418.3857 17905.5603 0.0000 0.0000 34270.4388 -149372.3323 299.2923 -183642.7711 -149281.4663 298.3991 82.0377 114.3635 555785.5223 0.4314 0.3150 PRESSURE: 1649000 -268.978 23.1289 -64.4996 23.1287 -65.5394 -270.192 -64.4989 -270.192 -11.4434 GPRESSURE: 1649000 -263.873 -21.083 -30.919 47.023 -38.7625 -221.115 -34.6535 -303.388 59.5642 PRESSAVG: 1649000 -4.71682 -35.0452 3.1718 -35.0453 30.2059 49.6957 3.17174 49.6957 -46.8235 GPRESSAVG: 1649000 -6.34167 -34.9706 4.04599 -33.8344 30.2538 46.6273 1.62893 52.2435 -46.1372 TIMING: 1649000 CPU: 4971.34, 0.0030347/step Wall: 4971.34, 0.0030347/step, 2.8248 hours remaining, 208.730469 MB of memory in use. ENERGY: 1649000 734.0537 2103.3702 1919.3501 111.6818 -206050.5878 17657.0243 0.0000 0.0000 34158.4362 -149366.6716 298.3141 -183525.1077 -149266.0565 298.3733 -115.3202 -81.0238 557668.1723 -7.1115 -7.4084 PRESSURE: 1649200 5.78806 -26.1447 27.4666 -26.1445 54.0221 67.8442 27.4679 67.8435 139.983 GPRESSURE: 1649200 30.373 44.0953 15.1494 -49.1902 123.578 100.679 -35.9107 39.11 151.565 PRESSAVG: 1649200 27.3305 -41.2994 -5.03117 -41.2993 -34.5404 -18.6245 -5.03117 -18.6245 -27.2653 GPRESSAVG: 1649200 28.7228 -42.8028 -6.02107 -41.3352 -35.5342 -17.3353 -3.42845 -20.4098 -26.9565 TIMING: 1649200 CPU: 4971.95, 0.00304759/step Wall: 4971.95, 0.00304759/step, 2.83663 hours remaining, 208.730469 MB of memory in use. ENERGY: 1649200 748.6047 2034.0783 1918.9418 118.3837 -206325.2949 17985.9118 0.0000 0.0000 34212.0953 -149307.2794 298.7827 -183519.3747 -149209.3090 298.5119 66.5977 101.8384 558425.5884 -11.4917 -11.2560 PRESSURE: 1649400 -344.538 -29.8955 -14.1744 -29.8964 -62.0238 -23.8544 -14.174 -23.8553 -188.823 GPRESSURE: 1649400 -350.106 -56.8556 1.88597 -9.89393 -30.4104 3.67976 25.5492 -54.2072 -130.646 PRESSAVG: 1649400 -9.50644 -22.3383 -23.6307 -22.3383 -60.0989 2.97744 -23.6307 2.97739 65.122 GPRESSAVG: 1649400 -9.05603 -21.3766 -22.9703 -22.1628 -58.8599 2.06079 -24.0332 5.19684 63.3336 TIMING: 1649400 CPU: 4972.56, 0.00303897/step Wall: 4972.56, 0.00303897/step, 2.82844 hours remaining, 208.730469 MB of memory in use. ENERGY: 1649400 701.6233 2099.4036 1922.6485 119.4821 -205995.3687 17484.7400 0.0000 0.0000 34277.1773 -149390.2939 299.3511 -183667.4712 -149298.5516 298.8349 -198.4616 -170.3877 558986.4450 -1.4945 -1.5274 PRESSURE: 1649600 -55.3269 -58.5588 108.765 -58.5586 -1.56834 -160.561 108.765 -160.559 162.638 GPRESSURE: 1649600 -9.53029 -97.9157 73.1811 -50.4314 30.9994 -221.238 150.159 -122.731 190.55 PRESSAVG: 1649600 24.9141 1.24111 16.3156 1.24107 44.475 -37.4816 16.3156 -37.4815 -31.9983 GPRESSAVG: 1649600 24.0419 -0.902313 16.0678 1.9566 44.0607 -35.421 16.0786 -36.9143 -30.6927 TIMING: 1649600 CPU: 4973.17, 0.00305939/step Wall: 4973.17, 0.00305939/step, 2.84728 hours remaining, 208.730469 MB of memory in use. ENERGY: 1649600 729.2087 2095.5093 1931.4079 117.9073 -206486.5142 17974.3662 0.0000 0.0000 34181.9182 -149456.1965 298.5192 -183638.1147 -149363.7147 298.4216 35.2475 70.6730 558577.4070 12.4636 12.4700 PRESSURE: 1649800 -85.7588 50.8729 -25.0741 50.8727 -209.45 28.0179 -25.0728 28.0171 -206.2 GPRESSURE: 1649800 -81.7319 76.0565 4.14485 90.248 -144.843 23.0707 -83.3948 -36.9909 -161.541 PRESSAVG: 1649800 11.72 35.8443 22.4515 35.8442 -3.60564 -17.3944 22.4515 -17.3944 -15.1679 GPRESSAVG: 1649800 10.8441 35.7334 20.7295 36.6875 -2.27242 -20.2138 22.8762 -19.3987 -15.8921 TIMING: 1649800 CPU: 4973.79, 0.00306806/step Wall: 4973.79, 0.00306806/step, 2.85517 hours remaining, 208.730469 MB of memory in use. ENERGY: 1649800 736.7460 2098.4596 1900.3183 112.6490 -206101.0673 17732.8487 0.0000 0.0000 34209.8927 -149310.1529 298.7635 -183520.0456 -149209.8997 298.7391 -167.1361 -129.3719 559347.2043 -2.3512 -2.4401 PRESSURE: 1650000 58.4375 -3.26551 -160.042 -3.26625 -40.4563 83.6541 -160.042 83.654 4.19901 GPRESSURE: 1650000 140.748 -53.9173 -146.607 92.8859 -25.9817 82.5367 -162.408 52.1097 4.3928 PRESSAVG: 1650000 81.5332 7.12186 11.9821 7.12178 -14.3292 -32.0107 11.9822 -32.0106 -54.6133 GPRESSAVG: 1650000 81.8539 9.77943 13.1348 4.37262 -14.8793 -31.7467 11.2555 -31.3192 -54.4279 TIMING: 1650000 CPU: 4974.4, 0.00305566/step Wall: 4974.4, 0.00305566/step, 2.84346 hours remaining, 208.730469 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: 1650000 731.2299 2046.2943 1937.9259 99.5580 -206167.5479 17937.5976 0.0000 0.0000 34277.2680 -149137.6742 299.3519 -183414.9422 -149032.0906 298.6977 7.3934 39.7198 558720.1441 4.1969 4.1823 PRESSURE: 1650200 -74.193 8.22533 7.19096 8.22514 -16.7016 184.816 7.19089 184.817 -134.292 GPRESSURE: 1650200 -20.2068 13.2462 31.401 13.436 56.6217 140.752 -14.2493 105.361 -149.932 PRESSAVG: 1650200 33.8951 -54.9664 -0.646809 -54.9663 -67.181 4.48539 -0.64681 4.4853 16.3275 GPRESSAVG: 1650200 34.284 -56.1495 0.24963 -52.5183 -66.3364 6.36663 -0.730206 2.49374 15.1076 TIMING: 1650200 CPU: 4975.01, 0.00305124/step Wall: 4975.01, 0.00305124/step, 2.83917 hours remaining, 208.800781 MB of memory in use. ENERGY: 1650200 749.0370 2059.1977 1915.9300 116.1589 -206122.3756 17749.4193 0.0000 0.0000 34109.2033 -149423.4294 297.8842 -183532.6327 -149326.2842 299.3100 -75.0623 -37.8392 558285.8228 -5.6528 -5.6483 PRESSURE: 1650400 87.3051 59.9536 49.2128 59.954 -172.143 -75.5067 49.2129 -75.5072 -169.682 GPRESSURE: 1650400 119.808 9.47569 19.5569 99.1321 -182.182 -33.8559 93.2957 -57.9733 -95.9239 PRESSAVG: 1650400 42.7381 -10.2159 -5.48335 -10.2159 19.0553 6.2579 -5.48337 6.25781 -72.1028 GPRESSAVG: 1650400 42.7408 -11.0071 -7.09696 -11.3033 18.2083 6.67605 -4.91402 6.19157 -70.9787 TIMING: 1650400 CPU: 4975.63, 0.00308606/step Wall: 4975.63, 0.00308606/step, 2.8714 hours remaining, 208.800781 MB of memory in use. ENERGY: 1650400 712.4046 2056.9519 1920.1346 113.6294 -205805.8323 17523.7664 0.0000 0.0000 34207.0705 -149271.8749 298.7389 -183478.9454 -149176.6337 298.4975 -84.8399 -52.7662 558485.6629 -3.4365 -3.3432 PRESSURE: 1650600 -8.72951 107.004 211.822 107.004 -299.336 -5.73999 211.823 -5.74094 18.8994 GPRESSURE: 1650600 59.0585 111.348 199.217 130.279 -279.859 -2.22108 179.334 -72.0791 34.7854 PRESSAVG: 1650600 -53.5048 11.7986 44.4834 11.7987 21.1675 -52.2322 44.4833 -52.2323 17.9465 GPRESSAVG: 1650600 -53.4304 10.6725 47.6202 12.2038 19.8222 -54.0929 43.6478 -49.8779 19.139 TIMING: 1650600 CPU: 4976.24, 0.0030638/step Wall: 4976.24, 0.0030638/step, 2.85052 hours remaining, 208.800781 MB of memory in use. ENERGY: 1650600 751.7675 2109.8559 1897.9088 120.0567 -206149.9762 17719.8694 0.0000 0.0000 34208.1663 -149342.3516 298.7484 -183550.5179 -149250.2971 299.3868 -96.3887 -62.0050 557937.8993 -4.7970 -4.8231 PRESSURE: 1650800 -163.901 68.08 -268.527 68.0804 12.1457 -14.215 -268.528 -14.2156 207.391 GPRESSURE: 1650800 -134.483 91.4276 -245.381 99.2922 64.5675 -1.90567 -241.973 18.0964 217.07 PRESSAVG: 1650800 -45.6341 82.2122 35.8783 82.2123 46.6214 29.2304 35.8783 29.2304 14.507 GPRESSAVG: 1650800 -44.7851 83.3758 31.9005 82.71 47.376 31.8866 37.3872 26.2977 12.9421 TIMING: 1650800 CPU: 4976.85, 0.00305081/step Wall: 4976.85, 0.00305081/step, 2.83827 hours remaining, 208.800781 MB of memory in use. ENERGY: 1650800 715.9806 2066.3168 1905.0907 110.9015 -206398.3983 17742.9187 0.0000 0.0000 34505.4880 -149351.7019 301.3450 -183857.1899 -149259.6559 299.0939 18.5450 49.0515 556638.3561 5.1648 5.1777 PRESSURE: 1651000 85.7656 182.535 73.6989 182.537 7.36146 43.5268 73.6983 43.5271 -98.8445 GPRESSURE: 1651000 88.9467 187.047 109.132 167.536 26.7588 41.8767 75.9179 7.78846 -16.3612 PRESSAVG: 1651000 -22.8703 50.3922 -10.4493 50.3921 29.361 28.9563 -10.4493 28.9563 32.9139 GPRESSAVG: 1651000 -23.8293 52.6541 -8.21678 48.5316 28.9542 27.7009 -10.4394 32.0639 34.282 TIMING: 1651000 CPU: 4977.46, 0.00304809/step Wall: 4977.46, 0.00304809/step, 2.83557 hours remaining, 208.800781 MB of memory in use. ENERGY: 1651000 726.8484 2029.0299 1926.2965 113.4813 -206267.3608 17837.4607 0.0000 0.0000 34292.0824 -149342.1617 299.4813 -183634.2441 -149242.0613 298.6085 -1.9058 33.1148 556408.6702 13.1349 13.1356 PRESSURE: 1651200 -101.964 -116.514 -12.1201 -116.515 -183.475 -43.4063 -12.1199 -43.406 -213.355 GPRESSURE: 1651200 -75.6613 -126.236 9.37693 -128.333 -153.086 -31.5789 18.2783 -110.791 -196.253 PRESSAVG: 1651200 -5.91919 -4.94816 -37.1821 -4.94816 31.0045 -13.8484 -37.1823 -13.8485 -21.4699 GPRESSAVG: 1651200 -4.5441 -5.66669 -37.2144 -5.47769 30.074 -15.7138 -37.2699 -13.3584 -22.3117 TIMING: 1651200 CPU: 4978.07, 0.0030398/step Wall: 4978.07, 0.0030398/step, 2.82769 hours remaining, 208.800781 MB of memory in use. ENERGY: 1651200 749.3602 2082.2930 1913.4448 93.5619 -206417.7618 17722.3528 0.0000 0.0000 34249.1400 -149607.6091 299.1063 -183856.7492 -149511.0269 298.9369 -166.2645 -141.6670 558082.8776 1.2051 1.0727 PRESSURE: 1651400 149.366 -60.6013 61.9769 -60.6008 18.0514 31.2452 61.9766 31.2425 47.1058 GPRESSURE: 1651400 184.301 19.0254 64.9588 -19.8149 86.8276 25.9436 49.3539 108.84 56.7207 PRESSAVG: 1651400 17.9759 2.90946 -17.1546 2.90938 12.515 21.1194 -17.1545 21.1194 -18.3299 GPRESSAVG: 1651400 15.7461 0.553915 -18.7362 4.79281 14.2763 22.887 -15.7026 18.6085 -17.7288 TIMING: 1651400 CPU: 4978.68, 0.0030788/step Wall: 4978.68, 0.0030788/step, 2.8638 hours remaining, 208.800781 MB of memory in use. ENERGY: 1651400 745.3923 2076.2107 1929.7900 102.6660 -206726.3222 17997.6899 0.0000 0.0000 34291.0326 -149583.5408 299.4721 -183874.5734 -149485.3327 298.1444 71.5076 109.2831 557242.2868 4.0537 4.0978 PRESSURE: 1651600 153.922 123.905 -123.07 123.905 97.8298 -53.7639 -123.072 -53.7625 220.327 GPRESSURE: 1651600 184.047 102.665 -113.518 122.972 130.104 -143.542 -12.5147 -80.2222 252.985 PRESSAVG: 1651600 43.8214 -19.5822 -14.1056 -19.5822 -27.2835 -27.5821 -14.1057 -27.5821 41.4376 GPRESSAVG: 1651600 45.2812 -18.1729 -12.4984 -19.5093 -29.5746 -28.1179 -14.7479 -28.1864 42.2719 TIMING: 1651600 CPU: 4979.29, 0.00304402/step Wall: 4979.29, 0.00304402/step, 2.83128 hours remaining, 208.800781 MB of memory in use. ENERGY: 1651600 743.4804 2060.4978 1920.4343 108.5146 -206752.1501 18164.4918 0.0000 0.0000 34313.9632 -149440.7681 299.6724 -183754.7313 -149343.3344 298.2901 157.3595 189.0452 557819.3489 19.3252 19.3262 PRESSURE: 1651800 -132.532 82.3768 -176.182 82.378 126.509 47.5434 -176.181 47.543 -197.329 GPRESSURE: 1651800 -72.0217 154.501 -199.276 5.11623 176.048 57.8997 -150.766 -43.5291 -216.035 PRESSAVG: 1651800 8.81291 -29.3452 -48.6509 -29.3452 -22.5567 -59.036 -48.6508 -59.0359 5.85213 GPRESSAVG: 1651800 8.18453 -29.3364 -51.2758 -32.1289 -21.8309 -57.9223 -49.939 -57.8296 5.3312 TIMING: 1651800 CPU: 4979.9, 0.00304439/step Wall: 4979.9, 0.00304439/step, 2.83145 hours remaining, 208.800781 MB of memory in use. ENERGY: 1651800 726.6856 2098.4368 1913.2707 117.8107 -205992.1716 17551.9379 0.0000 0.0000 34022.1070 -149561.9228 297.1235 -183584.0298 -149460.8577 298.0738 -67.7843 -37.3363 556837.0550 -2.6306 -2.7717 PRESSURE: 1652000 69.4626 -30.9923 -35.9725 -30.99 103.967 -122.455 -35.9729 -122.455 65.7732 GPRESSURE: 1652000 97.4468 -2.06632 8.92542 -72.5505 185.208 -99.3287 -49.1272 -76.2689 54.2094 PRESSAVG: 1652000 -30.9479 -3.71841 -42.6912 -3.71841 77.2108 -42.3218 -42.6913 -42.3217 -66.0718 GPRESSAVG: 1652000 -31.4097 -3.12238 -42.1167 -1.76 77.4263 -43.3174 -40.6885 -43.0652 -66.1558 TIMING: 1652000 CPU: 4980.51, 0.00305056/step Wall: 4980.51, 0.00305056/step, 2.83702 hours remaining, 208.800781 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: 1652000 702.8805 2039.9128 1934.5478 122.4089 -206475.8780 17928.4386 0.0000 0.0000 34293.5491 -149454.1403 299.4941 -183747.6894 -149356.3042 298.5941 79.7343 112.2882 556986.2591 -6.6030 -6.7131 PRESSURE: 1652200 -321.308 87.1157 -15.8845 87.1168 -106.677 55.9439 -15.8853 55.9424 -47.1291 GPRESSURE: 1652200 -279.452 146.307 -8.03585 69.4022 -100.237 48.7779 -78.0401 58.8048 12.2108 PRESSAVG: 1652200 -25.1769 -28.5642 29.4278 -28.5641 3.77399 18.9129 29.4278 18.9129 13.154 GPRESSAVG: 1652200 -25.6583 -29.3329 31.0117 -27.9108 2.64179 18.6711 26.6928 22.4491 14.4617 TIMING: 1652200 CPU: 4981.12, 0.00304915/step Wall: 4981.12, 0.00304915/step, 2.83554 hours remaining, 208.800781 MB of memory in use. ENERGY: 1652200 727.8386 2102.5749 1947.9265 111.3135 -206155.7335 17614.9203 0.0000 0.0000 34025.4167 -149625.7430 297.1524 -183651.1596 -149534.7440 297.7059 -158.3715 -122.4927 557800.4675 -2.7496 -2.8516 LDB: ============= START OF LOAD BALANCING ============== 4984.64 LDB: ============== END OF LOAD BALANCING =============== 4984.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4984.64 LDB: ============= START OF LOAD BALANCING ============== 4984.95 LDB: Largest compute 4800 load 0.032384 is 27.5% of average load 0.117898 LDB: Average compute 0.001738 is 1.5% of average load 0.117898 LDB: TIME 4984.95 LOAD: AVG 0.117898 MAX 0.222024 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.504 MB LDB: TIME 4984.95 LOAD: AVG 0.117898 MAX 0.222024 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.504 MB LDB: TIME 4984.95 LOAD: AVG 0.117898 MAX 0.222024 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.504 MB LDB: ============== END OF LOAD BALANCING =============== 4984.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4984.96 PRESSURE: 1652400 -76.8618 13.1944 49.8795 13.1943 -101.401 -175.869 49.8786 -175.869 -100.999 GPRESSURE: 1652400 -68.1475 31.6426 66.6053 40.6774 -61.4224 -141.058 23.4926 -79.2964 -63.6776 PRESSAVG: 1652400 -58.4724 1.40626 19.9171 1.40628 19.8182 -4.26472 19.917 -4.26464 57.1041 GPRESSAVG: 1652400 -57.5635 1.81323 19.0653 0.496628 20.1389 -5.68885 21.965 -4.78659 55.9292 TIMING: 1652400 CPU: 4981.74, 0.00310855/step Wall: 4981.74, 0.00310855/step, 2.89061 hours remaining, 208.140625 MB of memory in use. ENERGY: 1652400 740.9465 2073.3779 1923.4515 119.5832 -206362.7461 17676.5463 0.0000 0.0000 34204.1930 -149624.6478 298.7137 -183828.8407 -149517.1584 297.9848 -93.0874 -64.4158 556829.6248 6.1500 6.1682 PRESSURE: 1652600 -211.54 -18.533 -43.4639 -18.5345 -42.8951 -2.29717 -43.4626 -2.29599 -91.3228 GPRESSURE: 1652600 -229.345 34.0129 -22.9402 41.498 2.11759 58.6294 -109.263 3.33174 -22.502 PRESSAVG: 1652600 -37.5288 -0.0453472 -4.23711 -0.0454612 80.5991 -0.488486 -4.23712 -0.488556 -33.9787 GPRESSAVG: 1652600 -37.0235 -2.11156 -3.83517 0.481398 81.1078 1.00117 -4.39315 -2.18818 -34.6267 TIMING: 1652600 CPU: 4982.35, 0.00303737/step Wall: 4982.35, 0.00303737/step, 2.82425 hours remaining, 208.343750 MB of memory in use. ENERGY: 1652600 729.4696 2089.2723 1932.8605 109.5843 -206497.6321 17795.9361 0.0000 0.0000 34240.0516 -149600.4577 299.0269 -183840.5094 -149506.5997 298.4201 -115.2528 -83.2433 557758.0004 3.0305 3.1525 PRESSURE: 1652800 64.9353 4.79802 -137.324 4.79863 -168.823 101.884 -137.325 101.882 224.571 GPRESSURE: 1652800 126.952 42.6628 -170.725 -131.552 -178.974 132.446 -93.257 33.0316 259.567 PRESSAVG: 1652800 9.3621 -29.1917 0.868279 -29.1916 -22.0074 -33.2784 0.868398 -33.2784 53.338 GPRESSAVG: 1652800 8.9609 -28.0062 1.57866 -30.4903 -22.8605 -32.1304 -0.822332 -33.2683 54.5047 TIMING: 1652800 CPU: 4982.96, 0.00304113/step Wall: 4982.96, 0.00304113/step, 2.82758 hours remaining, 208.343750 MB of memory in use. ENERGY: 1652800 731.6096 2062.1704 1910.9999 106.2992 -206755.6423 18021.3502 0.0000 0.0000 34071.9367 -149851.2763 297.5587 -183923.2130 -149753.0037 297.3246 40.2278 69.1818 557142.8756 13.5642 13.5350 PRESSURE: 1653000 -104.155 -69.027 45.0443 -69.0272 5.05723 8.32739 45.0456 8.32689 -37.2799 GPRESSURE: 1653000 -55.5235 -36.1841 67.2524 -71.7597 81.9803 -75.7297 35.3444 -3.85587 -55.9291 PRESSAVG: 1653000 -33.5833 15.5267 15.3126 15.5266 85.659 -29.5427 15.3126 -29.5427 -78.8568 GPRESSAVG: 1653000 -33.1338 16.2681 14.6319 15.0855 86.8136 -29.3898 15.0937 -29.4133 -80.1742 TIMING: 1653000 CPU: 4983.57, 0.00304114/step Wall: 4983.57, 0.00304114/step, 2.82741 hours remaining, 208.343750 MB of memory in use. ENERGY: 1653000 754.6014 2046.8562 1915.0674 111.6971 -206609.9523 17903.8079 0.0000 0.0000 34014.9163 -149863.0061 297.0607 -183877.9224 -149769.4033 297.0367 -45.4591 -9.8241 556661.1287 -8.9270 -8.8315 PRESSURE: 1653200 -92.2165 60.388 -198.42 60.3877 -115.794 42.1358 -198.421 42.1352 109.865 GPRESSURE: 1653200 -97.407 11.9587 -158.083 68.0615 -77.5708 58.5758 -156.313 50.1924 174.343 PRESSAVG: 1653200 -23.8494 -8.71449 -4.42687 -8.71435 23.8149 -50.1527 -4.42685 -50.1527 -18.207 GPRESSAVG: 1653200 -25.5976 -9.18085 -3.82064 -8.35522 24.2619 -51.2766 -2.36464 -49.1459 -16.7983 TIMING: 1653200 CPU: 4984.17, 0.00304444/step Wall: 4984.17, 0.00304444/step, 2.83032 hours remaining, 208.343750 MB of memory in use. ENERGY: 1653200 747.5107 2079.8917 1917.0848 122.0549 -206358.0023 17826.7482 0.0000 0.0000 33961.8361 -149702.8760 296.5972 -183664.7120 -149600.8589 297.6044 -32.7153 -0.2118 556013.8627 -6.0805 -6.0447 PRESSURE: 1653400 64.31 -210.447 96.3022 -210.448 53.2579 -83.4575 96.3015 -83.4584 40.4681 GPRESSURE: 1653400 110.268 -207.586 -15.5591 -204.254 89.2967 -94.9799 -14.6305 -72.3882 44.5463 PRESSAVG: 1653400 -26.1593 -67.6342 -15.0668 -67.6343 -4.54487 -0.344934 -15.0668 -0.345001 53.7437 GPRESSAVG: 1653400 -25.4784 -66.6632 -14.4627 -67.9562 -5.28561 1.90977 -16.4152 -1.79639 53.7953 TIMING: 1653400 CPU: 4984.78, 0.00302823/step Wall: 4984.78, 0.00302823/step, 2.81508 hours remaining, 208.414062 MB of memory in use. ENERGY: 1653400 754.9528 2068.3519 1908.7075 104.4888 -206771.3417 18039.9050 0.0000 0.0000 34326.1122 -149568.8235 299.7785 -183894.9358 -149475.9530 298.8201 52.6787 81.3704 556013.7090 7.6798 7.6771 PRESSURE: 1653600 105.584 -95.3529 143.785 -95.3529 276.761 180.179 143.787 180.18 -129.596 GPRESSURE: 1653600 138.514 -4.58572 130.251 -220.711 269.311 225.932 205.608 126.146 -65.4888 PRESSAVG: 1653600 2.05846 -38.1668 95.1042 -38.1668 -25.1764 34.1977 95.1042 34.1978 9.65493 GPRESSAVG: 1653600 2.02506 -36.8152 93.8653 -40.3791 -25.4736 32.2379 96.4923 35.0385 9.78245 TIMING: 1653600 CPU: 4985.39, 0.00306343/step Wall: 4985.39, 0.00306343/step, 2.84762 hours remaining, 208.414062 MB of memory in use. ENERGY: 1653600 732.3501 2082.5531 1944.9601 125.0031 -206394.4406 18037.9053 0.0000 0.0000 34154.7877 -149316.8811 298.2823 -183471.6689 -149216.8123 298.3374 84.2495 114.1123 558725.6571 -4.4877 -4.5554 PRESSURE: 1653800 -322.732 24.1499 65.3969 24.1493 0.439599 250.438 65.3974 250.437 -368.512 GPRESSURE: 1653800 -306.01 97.4026 -15.8753 105.689 -13.2751 222.591 152.024 304.758 -266.371 PRESSAVG: 1653800 72.814 -2.74395 7.88306 -2.7439 -11.9554 71.3949 7.88305 71.3949 -32.5648 GPRESSAVG: 1653800 72.9422 -4.43871 8.76593 0.79066 -11.0355 70.2105 6.95339 72.2032 -33.2138 TIMING: 1653800 CPU: 4986, 0.00304498/step Wall: 4986, 0.00304498/step, 2.83031 hours remaining, 208.414062 MB of memory in use. ENERGY: 1653800 750.7315 2107.4762 1947.9721 110.0250 -205827.9807 17502.4510 0.0000 0.0000 34218.1901 -149191.1348 298.8360 -183409.3249 -149091.8050 299.1596 -230.2681 -195.2189 558271.6288 9.4313 9.5643 PRESSURE: 1654000 67.7538 76.6294 -63.5056 76.6302 -142.637 -92.845 -63.5054 -92.8444 144.009 GPRESSURE: 1654000 81.1477 73.7973 -123.927 -29.6276 -119.279 -91.524 -37.8714 -2.99412 211.326 PRESSAVG: 1654000 60.3643 17.0563 -24.814 17.0563 -46.7552 6.48461 -24.8139 6.48458 9.55943 GPRESSAVG: 1654000 61.3503 16.5526 -24.9952 16.2905 -48.3278 9.14556 -24.4557 6.14609 9.4467 TIMING: 1654000 CPU: 4986.62, 0.00308219/step Wall: 4986.62, 0.00308219/step, 2.86472 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: 1654000 800.2302 2107.7544 1930.1638 111.2371 -206255.5080 17988.3914 0.0000 0.0000 34221.2667 -149096.4643 298.8628 -183317.7310 -149007.7130 298.6686 23.0417 57.7315 558396.7814 7.7229 7.4897 PRESSURE: 1654200 -184.421 168.692 30.4889 168.692 157.307 -26.5756 30.4889 -26.5752 309.662 GPRESSURE: 1654200 -120.27 198.311 17.2144 184.166 182.583 2.3859 -28.5598 5.31982 312.751 PRESSAVG: 1654200 0.31611 52.3808 23.6319 52.3808 -55.2851 -32.6055 23.632 -32.6054 35.1886 GPRESSAVG: 1654200 -0.646023 51.4713 25.0024 52.5652 -54.1762 -33.2436 23.3928 -32.6182 35.6047 TIMING: 1654200 CPU: 4987.22, 0.00302875/step Wall: 4987.22, 0.00302875/step, 2.81488 hours remaining, 208.414062 MB of memory in use. ENERGY: 1654200 710.6136 2105.5287 1923.9095 105.3019 -206499.1838 18020.1147 0.0000 0.0000 34511.5742 -149122.1412 301.3982 -183633.7155 -149024.1553 299.5904 94.1825 125.0216 557997.1748 -6.5934 -6.4058 PRESSURE: 1654400 144.389 -66.5094 -15.1517 -66.5095 184.076 -229.545 -15.1512 -229.544 -32.7718 GPRESSURE: 1654400 182.963 -65.4075 -32.4681 -90.0109 211.703 -317.893 -16.0564 -149.853 1.66426 PRESSAVG: 1654400 -36.8719 -17.1081 26.3396 -17.1081 42.8409 -31.1169 26.3396 -31.1168 21.9047 GPRESSAVG: 1654400 -36.757 -15.2871 26.4417 -18.6386 43.4594 -32.5674 25.551 -30.9549 21.2507 TIMING: 1654400 CPU: 4987.83, 0.00302644/step Wall: 4987.83, 0.00302644/step, 2.81257 hours remaining, 208.414062 MB of memory in use. ENERGY: 1654400 776.0174 2094.5004 1908.8157 119.5584 -206429.9743 18174.7509 0.0000 0.0000 34397.8736 -148958.4579 300.4052 -183356.3315 -148849.7972 300.0196 98.5646 132.1100 557612.8601 9.2912 9.3177 PRESSURE: 1654600 98.9991 -147.86 119.344 -147.86 -168.381 124.272 119.344 124.271 -83.8563 GPRESSURE: 1654600 135.551 -114.708 59.8912 -102.122 -184.868 154.384 70.6027 129.118 -4.58618 PRESSAVG: 1654600 17.4593 -34.8722 -41.7587 -34.8722 -5.60169 -5.39025 -41.7587 -5.39027 -6.81582 GPRESSAVG: 1654600 18.0024 -35.0739 -44.3769 -35.2367 -6.38963 -4.34326 -40.4857 -5.72314 -6.03569 TIMING: 1654600 CPU: 4988.44, 0.00305682/step Wall: 4988.44, 0.00305682/step, 2.84064 hours remaining, 208.414062 MB of memory in use. ENERGY: 1654600 761.8834 2055.2998 1928.7427 115.4512 -205992.6363 17715.5442 0.0000 0.0000 34421.6541 -148994.0609 300.6129 -183415.7150 -148892.0241 300.0629 -51.0795 -17.9677 558410.8781 1.6806 1.8590 PRESSURE: 1654800 -224.764 -18.1898 -9.72835 -18.1893 -107.276 68.6626 -9.72799 68.6629 29.7046 GPRESSURE: 1654800 -190.737 -30.3377 0.603014 8.05947 -83.4807 95.9171 -39.4241 64.3448 67.0977 PRESSAVG: 1654800 -45.1875 -47.8482 -40.3159 -47.8482 -14.4683 12.6719 -40.3159 12.6718 14.4554 GPRESSAVG: 1654800 -45.4026 -50.5525 -37.7628 -45.9729 -14.5109 12.7183 -42.2697 13.2785 14.7971 TIMING: 1654800 CPU: 4989.05, 0.00305771/step Wall: 4989.05, 0.00305771/step, 2.84129 hours remaining, 208.414062 MB of memory in use. ENERGY: 1654800 754.8878 2070.2639 1939.2615 110.0657 -206147.3410 17683.7469 0.0000 0.0000 34484.9920 -149104.1231 301.1660 -183589.1152 -148998.4411 300.4372 -100.7784 -69.0401 557780.8155 -15.0668 -15.0388 PRESSURE: 1655000 23.973 -11.5296 102.431 -11.5295 -177.637 -59.8212 102.43 -59.8195 -168.8 GPRESSURE: 1655000 82.9609 -17.2177 98.0813 -30.0928 -178.317 -43.9956 132.394 -57.455 -119.261 PRESSAVG: 1655000 51.4525 21.1878 5.21803 21.1879 45.1519 42.8012 5.218 42.8011 -71.4458 GPRESSAVG: 1655000 50.838 22.8184 2.72789 21.5287 44.6574 43.9122 4.71207 41.9844 -70.8645 TIMING: 1655000 CPU: 4989.67, 0.00307429/step Wall: 4989.67, 0.00307429/step, 2.85653 hours remaining, 208.414062 MB of memory in use. ENERGY: 1655000 758.8551 2094.8722 1906.0222 115.7337 -206146.6013 17705.7821 0.0000 0.0000 34336.0512 -149229.2848 299.8653 -183565.3360 -149133.5851 300.5039 -107.4882 -71.5390 558534.1744 8.3862 8.2103 PRESSURE: 1655200 124.571 -111.997 -260.516 -111.996 -31.4034 173.778 -260.518 173.775 190.582 GPRESSURE: 1655200 114.993 -138.284 -286.592 -68.8797 -4.79446 201.366 -174.509 195.069 263.18 PRESSAVG: 1655200 -48.1234 -12.8345 -30.2219 -12.8344 -1.73659 14.1216 -30.2219 14.1216 9.64165 GPRESSAVG: 1655200 -47.6791 -12.3829 -29.3901 -12.2149 0.783074 11.8757 -27.839 14.8972 6.99631 TIMING: 1655200 CPU: 4990.28, 0.00305865/step Wall: 4990.28, 0.00305865/step, 2.84182 hours remaining, 208.414062 MB of memory in use. ENERGY: 1655200 748.7609 2119.7610 1933.3176 113.0259 -206455.5972 18048.1496 0.0000 0.0000 34213.4664 -149279.1157 298.7947 -183492.5822 -149182.6323 299.1554 94.5833 124.4596 555647.6213 -13.4061 -13.2999 PRESSURE: 1655400 66.3475 46.9042 163.477 46.9028 23.2966 24.4554 163.477 24.4569 -170.932 GPRESSURE: 1655400 76.0738 36.5086 114.591 -65.3026 8.79117 -7.99924 122.298 20.7313 -59.8623 PRESSAVG: 1655400 -59.8095 21.6064 2.42403 21.6064 49.5043 70.7777 2.42397 70.7777 -14.4829 GPRESSAVG: 1655400 -58.9269 20.5511 2.6585 18.6182 47.9419 74.1185 0.510903 69.1541 -13.6944 TIMING: 1655400 CPU: 4990.89, 0.00306429/step Wall: 4990.89, 0.00306429/step, 2.84689 hours remaining, 208.414062 MB of memory in use. ENERGY: 1655400 753.5923 2098.6222 1943.1150 115.5005 -206205.2877 17822.0762 0.0000 0.0000 34302.2455 -149170.1360 299.5700 -183472.3815 -149071.5525 299.3325 -27.0959 8.3342 557501.5992 -8.2627 -8.2265 PRESSURE: 1655600 121.022 2.51036 112.417 2.50878 269.036 38.9979 112.418 38.9986 -149.354 GPRESSURE: 1655600 131.857 44.3504 22.0462 47.8312 263.79 83.7163 205.908 38.8105 -46.7292 PRESSAVG: 1655600 -5.3635 31.3618 21.4172 31.3617 -20.9498 -8.25172 21.4171 -8.25161 10.8382 GPRESSAVG: 1655600 -4.19386 33.2318 19.5312 32.9283 -20.9918 -10.2462 24.7887 -8.41853 10.5344 TIMING: 1655600 CPU: 4991.51, 0.00307605/step Wall: 4991.51, 0.00307605/step, 2.85765 hours remaining, 208.414062 MB of memory in use. ENERGY: 1655600 705.5976 2070.2681 1937.3738 107.6044 -206628.6440 17926.3134 0.0000 0.0000 34617.1310 -149264.3557 302.3200 -183881.4867 -149164.8309 300.0074 80.2347 116.3059 556159.4374 -5.1584 -4.8838 PRESSURE: 1655800 -73.2307 24.3632 71.7908 24.3634 -259.535 -59.558 71.7909 -59.5587 -256.117 GPRESSURE: 1655800 -32.1117 -12.1396 51.6784 -64.3736 -203.422 -123.229 23.5106 -40.0586 -254.972 PRESSAVG: 1655800 34.123 -28.1535 -5.92278 -28.1535 21.7819 -6.7482 -5.9228 -6.74811 -56.524 GPRESSAVG: 1655800 32.5591 -29.4395 -4.49858 -30.2267 21.7017 -4.88219 -7.54893 -6.08622 -55.2567 TIMING: 1655800 CPU: 4992.12, 0.00304593/step Wall: 4992.12, 0.00304593/step, 2.8295 hours remaining, 208.414062 MB of memory in use. ENERGY: 1655800 744.5597 2105.0255 1951.8532 113.6242 -206073.7429 17563.8661 0.0000 0.0000 34234.2682 -149360.5461 298.9764 -183594.8142 -149272.5596 299.4631 -196.2944 -163.5019 557367.5526 -0.2064 -0.3320 PRESSURE: 1656000 -99.1686 35.3355 -58.2967 35.336 -372.684 116.387 -58.2952 116.387 -83.5582 GPRESSURE: 1656000 -28.8189 9.00452 -68.7927 113.286 -346.752 77.9747 -51.3084 59.4845 -76.5868 PRESSAVG: 1656000 -0.224388 2.03952 -5.7955 2.03948 -7.10162 11.1414 -5.79547 11.1416 -6.62598 GPRESSAVG: 1656000 -0.968052 3.26545 -5.84594 2.77688 -6.68702 7.26023 -6.62109 13.4172 -6.59886 TIMING: 1656000 CPU: 4992.73, 0.00306201/step Wall: 4992.73, 0.00306201/step, 2.84427 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: 1656000 760.8802 2113.9884 1904.7423 105.3289 -206015.3625 17638.7440 0.0000 0.0000 34343.2617 -149148.4170 299.9282 -183491.6787 -149055.9177 299.9300 -185.1371 -150.7193 557769.3519 -4.6507 -4.7513 PRESSURE: 1656200 -190.684 -67.1367 76.1952 -67.1371 55.0367 161.874 76.196 161.875 -90.8999 GPRESSURE: 1656200 -137.487 -6.67784 97.1874 -131.301 96.9515 203.447 -42.6992 76.5756 -80.5582 PRESSAVG: 1656200 48.9483 -27.1801 61.7653 -27.1801 -7.54818 32.7253 61.7654 32.7253 -12.8981 GPRESSAVG: 1656200 49.6528 -28.1369 64.2033 -26.823 -7.69885 35.9364 61.1614 32.3637 -13.4848 TIMING: 1656200 CPU: 4993.34, 0.0030726/step Wall: 4993.34, 0.0030726/step, 2.85393 hours remaining, 208.414062 MB of memory in use. ENERGY: 1656200 742.8587 2056.5701 1939.6428 105.4930 -206226.0819 17691.1312 0.0000 0.0000 34415.5119 -149274.8742 300.5592 -183690.3860 -149174.4667 299.8614 -75.5156 -40.3646 557009.4761 9.5007 9.4897 LDB: ============= START OF LOAD BALANCING ============== 4996.86 LDB: ============== END OF LOAD BALANCING =============== 4996.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4996.87 LDB: ============= START OF LOAD BALANCING ============== 4997.17 LDB: Largest compute 4800 load 0.033366 is 28.3% of average load 0.117892 LDB: Average compute 0.001731 is 1.5% of average load 0.117892 LDB: TIME 4997.17 LOAD: AVG 0.117892 MAX 0.220196 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.102 MB LDB: TIME 4997.17 LOAD: AVG 0.117892 MAX 0.220196 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.172 MB LDB: TIME 4997.17 LOAD: AVG 0.117892 MAX 0.220196 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.172 MB LDB: ============== END OF LOAD BALANCING =============== 4997.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4997.18 PRESSURE: 1656400 378.285 -250.004 69.8041 -250.003 222.545 107.915 69.8048 107.916 147.113 GPRESSURE: 1656400 374.277 -203.552 130.57 -289.62 208.536 80.2937 59.2168 168.379 269.943 PRESSAVG: 1656400 15.736 -43.1076 -5.04725 -43.1076 -17.5296 2.5975 -5.04712 2.59757 39.9034 GPRESSAVG: 1656400 14.3974 -43.9164 -7.4781 -41.8371 -16.6498 2.49336 -3.42537 0.400669 40.4527 TIMING: 1656400 CPU: 4993.96, 0.00308984/step Wall: 4993.96, 0.00308984/step, 2.86977 hours remaining, 207.359375 MB of memory in use. ENERGY: 1656400 745.8671 2137.0650 1919.2333 111.0497 -206397.1818 18040.9718 0.0000 0.0000 34245.3023 -149197.6926 299.0727 -183442.9949 -149103.2056 299.2207 249.3144 284.2520 556204.5173 12.7032 12.7334 PRESSURE: 1656600 20.0526 115.737 -92.6194 115.734 87.3004 -16.7905 -92.6179 -16.79 -218.942 GPRESSURE: 1656600 86.0195 145.137 -144.681 136.159 67.4907 5.67992 -60.4297 -38.6763 -181.924 PRESSAVG: 1656600 32.6433 13.6359 49.6234 13.6359 -26.4798 -27.7693 49.6234 -27.7693 -1.45234 GPRESSAVG: 1656600 33.7126 14.5373 50.4032 12.9645 -28.4547 -26.8174 50.2003 -29.1871 -1.4309 TIMING: 1656600 CPU: 4994.57, 0.00303891/step Wall: 4994.57, 0.00303891/step, 2.82231 hours remaining, 207.359375 MB of memory in use. ENERGY: 1656600 702.3321 2129.9144 1896.8147 107.8287 -206153.5516 17767.6184 0.0000 0.0000 34410.5567 -149138.4866 300.5159 -183549.0433 -149039.0785 299.4040 -37.1965 -9.4712 557703.2774 1.5704 1.2757 PRESSURE: 1656800 -89.7834 -44.1659 -88.0962 -44.1668 -18.4232 -78.0551 -88.0952 -78.0551 -173.447 GPRESSURE: 1656800 -79.936 -75.958 -110.237 -1.11149 -48.0477 -71.5079 -61.4309 -53.4861 -59.6885 PRESSAVG: 1656800 -1.60258 20.6314 -30.614 20.6315 -19.7698 -4.87047 -30.614 -4.8705 34.9228 GPRESSAVG: 1656800 -0.691929 21.2436 -31.1895 19.8333 -19.5775 -6.45202 -31.877 -2.25081 33.9145 TIMING: 1656800 CPU: 4995.17, 0.00301261/step Wall: 4995.17, 0.00301261/step, 2.79771 hours remaining, 207.359375 MB of memory in use. ENERGY: 1656800 756.3579 2136.6316 1946.9179 103.9218 -205572.7683 17623.5624 0.0000 0.0000 33966.2111 -149039.1656 296.6354 -183005.3767 -148947.5077 299.9014 -93.8846 -62.5574 559091.7498 4.5168 4.5483 PRESSURE: 1657000 -197.669 16.8073 -51.8384 16.8084 -100.32 58.0342 -51.839 58.0345 -136.163 GPRESSURE: 1657000 -123.811 -15.0661 -118.204 2.3259 -31.602 147.422 12.7871 -19.1544 -154.09 PRESSAVG: 1657000 16.0371 -9.95409 9.34845 -9.95396 10.7236 3.77431 9.34848 3.77439 -15.1604 GPRESSAVG: 1657000 15.0631 -10.7912 10.6609 -9.5509 12.0721 4.92909 8.58547 1.28942 -15.9404 TIMING: 1657000 CPU: 4995.78, 0.00303874/step Wall: 4995.78, 0.00303874/step, 2.82181 hours remaining, 207.359375 MB of memory in use. ENERGY: 1657000 775.9143 2079.1002 1926.8586 111.7331 -205778.0701 17550.1098 0.0000 0.0000 34199.5317 -149134.8224 298.6730 -183334.3541 -149035.3260 299.7986 -144.7175 -103.1676 557241.5439 3.8667 3.7316 PRESSURE: 1657200 -43.7772 -16.6376 -96.4117 -16.6382 -71.7082 30.7809 -96.4112 30.7811 -468.241 GPRESSURE: 1657200 -61.4919 -27.5103 -75.4272 38.0379 -60.1655 -56.5514 -141.615 -8.91553 -355.016 PRESSAVG: 1657200 -6.64638 -10.2179 -30.2898 -10.2179 11.1258 1.05129 -30.2898 1.05122 10.0233 GPRESSAVG: 1657200 -6.82584 -10.3313 -30.2479 -10.1877 11.1995 2.14499 -30.8056 1.89229 9.89158 TIMING: 1657200 CPU: 4996.39, 0.00307219/step Wall: 4996.39, 0.00307219/step, 2.8527 hours remaining, 207.359375 MB of memory in use. ENERGY: 1657200 766.9268 2162.1228 1937.6436 107.3829 -205749.0608 17583.1799 0.0000 0.0000 34151.0237 -149040.7812 298.2494 -183191.8049 -148943.8845 299.4336 -194.5754 -158.8911 560434.7616 4.8342 4.7551 PRESSURE: 1657400 48.4244 -69.6119 110.875 -69.612 -95.456 30.1144 110.876 30.1158 182.651 GPRESSURE: 1657400 102.315 -13.6906 75.0917 -137.275 -83.4877 33.6937 95.7069 -4.84055 217.105 PRESSAVG: 1657400 -12.9319 -5.22103 -57.7915 -5.22105 3.79084 -17.0331 -57.7916 -17.0331 -13.2891 GPRESSAVG: 1657400 -11.8046 -4.39722 -58.5275 -5.04097 2.72884 -17.9276 -57.7598 -15.8682 -12.3992 TIMING: 1657400 CPU: 4997, 0.00303934/step Wall: 4997, 0.00303934/step, 2.82203 hours remaining, 207.359375 MB of memory in use. ENERGY: 1657400 739.6837 2066.9189 1962.8387 114.2382 -206481.3812 18094.3840 0.0000 0.0000 34418.2635 -149085.0543 300.5833 -183503.3178 -148984.6995 299.9325 45.2066 78.6442 560137.8483 -7.4767 -7.1583 PRESSURE: 1657600 70.8857 50.6519 55.7762 50.6512 94.0534 65.5684 55.7756 65.5695 2.65011 GPRESSURE: 1657600 103.76 1.24465 2.08519 39.5699 90.2977 104.085 109.014 -9.63 69.2191 PRESSAVG: 1657600 -8.62076 -3.654 18.8482 -3.65412 -60.5586 -58.1647 18.8483 -58.1648 72.5192 GPRESSAVG: 1657600 -8.97673 -3.8859 18.3147 -4.61818 -59.2968 -59.4556 20.2239 -57.0315 70.8993 TIMING: 1657600 CPU: 4997.6, 0.00300943/step Wall: 4997.6, 0.00300943/step, 2.79409 hours remaining, 207.429688 MB of memory in use. ENERGY: 1657600 779.6697 2103.3504 1970.7485 120.5534 -206098.9049 17828.5668 0.0000 0.0000 34296.0635 -148999.9526 299.5161 -183296.0160 -148903.7108 300.1526 55.8631 87.7589 557922.2479 1.1133 0.8753 PRESSURE: 1657800 -77.1499 -9.89127 -102.71 -9.89239 -3.03349 -76.1609 -102.709 -76.161 -38.3657 GPRESSURE: 1657800 -80.2603 -63.804 -27.9306 -15.0418 32.1604 -11.8797 -159.04 -59.4789 24.3488 PRESSAVG: 1657800 -24.6421 -3.46655 -10.9202 -3.46664 50.8197 -24.5766 -10.9202 -24.5766 -70.6393 GPRESSAVG: 1657800 -24.6411 -2.38959 -10.01 -3.5184 49.8355 -23.9665 -13.1506 -25.6601 -70.5384 TIMING: 1657800 CPU: 4998.21, 0.00304316/step Wall: 4998.21, 0.00304316/step, 2.82523 hours remaining, 207.429688 MB of memory in use. ENERGY: 1657800 737.4944 2070.3711 1930.8970 121.6643 -206115.7911 17914.3450 0.0000 0.0000 34320.6076 -149020.4117 299.7304 -183341.0193 -148927.4847 299.6766 -39.5164 -7.9171 559391.6921 -14.8206 -15.1147 PRESSURE: 1658000 -4.97737 -69.5249 -87.8975 -69.5253 -151.022 -73.0571 -87.8978 -73.0579 -39.1879 GPRESSURE: 1658000 13.218 -38.1217 -0.0461747 -48.275 -90.3512 -34.4658 -138.919 -182.609 -17.5838 PRESSAVG: 1658000 3.68805 2.49467 33.6715 2.49464 70.0761 -44.3443 33.6715 -44.3442 -45.9379 GPRESSAVG: 1658000 2.60706 1.83022 34.0919 3.99255 69.6289 -45.2676 34.4079 -44.0529 -44.0913 TIMING: 1658000 CPU: 4998.82, 0.00304977/step Wall: 4998.82, 0.00304977/step, 2.8312 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: 1658000 739.9842 2050.3112 1896.6558 113.9258 -205743.3861 17689.2076 0.0000 0.0000 34231.6302 -149021.6712 298.9533 -183253.3014 -148920.6714 299.6673 -65.0623 -31.5723 558979.5584 9.2754 9.3815 PRESSURE: 1658200 42.2147 -110.814 191.823 -110.815 180.154 -33.5228 191.824 -33.5249 267.204 GPRESSURE: 1658200 85.3522 -71.9298 118.423 -163.916 228.15 -115.034 250.918 -85.7381 286.53 PRESSAVG: 1658200 21.2762 -29.2123 -61.0084 -29.2121 44.2057 18.8485 -61.0083 18.8485 -79.1053 GPRESSAVG: 1658200 21.6686 -26.4462 -61.1994 -31.4667 44.7534 20.9234 -59.1571 16.5752 -79.9918 TIMING: 1658200 CPU: 4999.43, 0.00305975/step Wall: 4999.43, 0.00305975/step, 2.84029 hours remaining, 207.429688 MB of memory in use. ENERGY: 1658200 722.9675 2104.4888 1901.9832 112.6596 -205904.9193 17841.0089 0.0000 0.0000 34243.8787 -148977.9328 299.0603 -183221.8115 -148880.1141 299.3147 163.1909 200.0106 556987.0807 -4.5411 -4.5232 PRESSURE: 1658400 -37.2001 -123.682 7.62869 -123.681 -180.146 28.0521 7.62825 28.0522 -126.05 GPRESSURE: 1658400 3.42158 -82.9409 -55.8461 -171.583 -117.984 36.4787 -19.4461 12.9992 -130.983 PRESSAVG: 1658400 18.883 -35.8102 -24.2603 -35.81 33.195 32.2309 -24.2603 32.2308 -46.2747 GPRESSAVG: 1658400 19.0561 -40.1367 -26.9386 -31.679 33.723 30.3617 -26.438 31.5797 -46.7233 TIMING: 1658400 CPU: 5000.04, 0.00305584/step Wall: 5000.04, 0.00305584/step, 2.8365 hours remaining, 207.574219 MB of memory in use. ENERGY: 1658400 730.2680 2173.8509 1915.9134 115.1468 -205754.7470 17583.6007 0.0000 0.0000 34279.2555 -148956.7118 299.3693 -183235.9673 -148866.5890 299.5422 -114.4655 -81.8485 557099.1502 1.9344 2.0186 PRESSURE: 1658600 175.904 94.2559 -13.8816 94.2556 74.2284 82.163 -13.8798 82.1634 -261.748 GPRESSURE: 1658600 224.581 132.097 74.4774 80.1637 80.189 81.2268 -13.1199 49.1165 -226.429 PRESSAVG: 1658600 23.9847 -35.0466 -60.1913 -35.0467 41.4817 -29.9668 -60.1914 -29.9669 -46.2868 GPRESSAVG: 1658600 24.3733 -34.7995 -58.7014 -36.5589 40.6085 -28.1735 -59.6558 -28.7769 -45.8748 TIMING: 1658600 CPU: 5000.66, 0.00305458/step Wall: 5000.66, 0.00305458/step, 2.83516 hours remaining, 207.574219 MB of memory in use. ENERGY: 1658600 708.6595 2139.3836 1933.2679 106.7536 -205836.2789 17669.1463 0.0000 0.0000 34421.7478 -148857.3202 300.6137 -183279.0679 -148760.1499 299.8325 -3.8720 26.1137 557310.2481 6.3932 6.3690 PRESSURE: 1658800 -13.0347 -3.99077 109.348 -3.99013 -148.391 94.064 109.349 94.0639 -122.948 GPRESSURE: 1658800 9.94001 -38.5293 93.5059 29.9385 -134.474 -21.0492 137.235 56.2888 -56.3135 PRESSAVG: 1658800 44.7589 27.5373 -17.6552 27.5374 -56.8606 38.1307 -17.6551 38.1305 16.6456 GPRESSAVG: 1658800 43.7846 29.3357 -17.57 27.5431 -56.2157 37.535 -18.041 38.4357 16.9677 TIMING: 1658800 CPU: 5001.26, 0.00304241/step Wall: 5001.26, 0.00304241/step, 2.8237 hours remaining, 207.574219 MB of memory in use. ENERGY: 1658800 716.0697 2117.1794 1922.1991 112.0112 -205825.4504 17659.1725 0.0000 0.0000 34437.0306 -148861.7879 300.7472 -183298.8185 -148762.2682 300.1517 -94.7910 -60.2823 556561.0284 1.5146 1.5122 PRESSURE: 1659000 -212.891 107.645 -124.015 107.645 22.7996 357.681 -124.016 357.683 -341.355 GPRESSURE: 1659000 -157.449 137.019 -165.062 129.892 4.99847 367.287 -96.5928 309.175 -276.439 PRESSAVG: 1659000 54.2178 43.5598 -19.5526 43.5598 3.86097 70.7928 -19.5526 70.7928 -52.8987 GPRESSAVG: 1659000 54.6521 44.9503 -18.6616 43.8983 3.34889 70.5792 -20.3622 70.7421 -52.7904 TIMING: 1659000 CPU: 5001.87, 0.00304079/step Wall: 5001.87, 0.00304079/step, 2.82202 hours remaining, 207.574219 MB of memory in use. ENERGY: 1659000 722.0560 2177.0139 1942.6083 115.4905 -205647.0828 17638.8113 0.0000 0.0000 34211.1543 -148839.9485 298.7745 -183051.1028 -148744.1080 299.9489 -177.1486 -142.9631 560000.4642 1.7267 1.7369 PRESSURE: 1659200 -232.985 13.0521 14.2186 13.0511 -111.694 174.476 14.2181 174.475 -289.593 GPRESSURE: 1659200 -161.584 -102.285 -5.565 136.919 -61.7074 214.426 38.5982 116.427 -319.88 PRESSAVG: 1659200 9.68605 36.7319 -5.40961 36.7318 66.7584 -40.4384 -5.4096 -40.4384 -37.6304 GPRESSAVG: 1659200 9.83089 33.7357 -7.17425 35.385 67.8314 -41.9852 -4.81074 -41.4248 -38.7413 TIMING: 1659200 CPU: 5002.48, 0.00303049/step Wall: 5002.48, 0.00303048/step, 2.81229 hours remaining, 207.574219 MB of memory in use. ENERGY: 1659200 768.9934 2042.2094 1914.1198 104.0684 -205609.2600 17460.2704 0.0000 0.0000 34420.5370 -148899.0617 300.6031 -183319.5986 -148795.7675 300.2820 -211.4243 -181.0572 557183.0577 12.9380 12.9737 PRESSURE: 1659400 140.827 37.1303 67.1241 37.1318 -81.7008 -92.8254 67.1237 -92.8272 -26.93 GPRESSURE: 1659400 152.925 -42.7534 105.912 43.4292 -14.6519 -68.4973 126.677 -129.037 -14.9343 PRESSAVG: 1659400 23.4553 7.84008 -17.737 7.8401 55.2163 -5.34897 -17.7371 -5.34891 -17.1583 GPRESSAVG: 1659400 22.5635 8.86317 -17.3894 8.34537 55.6476 -4.09691 -15.8866 -4.06852 -16.8192 TIMING: 1659400 CPU: 5003.09, 0.00306519/step Wall: 5003.09, 0.00306519/step, 2.84433 hours remaining, 207.574219 MB of memory in use. ENERGY: 1659400 742.6140 2062.6967 1952.5190 110.4368 -206029.9793 17875.4087 0.0000 0.0000 34406.1916 -148880.1124 300.4778 -183286.3040 -148786.3673 300.0967 10.7321 41.1131 559100.5768 20.5044 20.4639 PRESSURE: 1659600 101.023 249.633 9.82365 249.633 76.5351 37.2515 9.82341 37.2508 156.075 GPRESSURE: 1659600 163.948 300.737 -28.1154 183.008 122.413 -6.45243 5.23731 89.5403 146.081 PRESSAVG: 1659600 46.9383 52.4736 5.41211 52.4736 -63.2408 -20.606 5.41219 -20.606 -2.42263 GPRESSAVG: 1659600 47.6348 52.8778 5.99824 52.4753 -64.0245 -20.7401 4.14085 -21.3023 -2.4063 TIMING: 1659600 CPU: 5003.7, 0.00305768/step Wall: 5003.7, 0.00305768/step, 2.83718 hours remaining, 207.574219 MB of memory in use. ENERGY: 1659600 728.8867 2110.6801 1913.2442 125.0089 -206080.3805 18026.1913 0.0000 0.0000 34179.1065 -148997.2629 298.4946 -183176.3694 -148904.4201 300.0514 111.2108 144.1474 558302.6805 -6.2417 -6.2653 PRESSURE: 1659800 -14.4708 48.6604 -24.914 48.6602 -46.0089 -59.4419 -24.9141 -59.4424 -131.535 GPRESSURE: 1659800 13.4043 117.568 6.97268 52.1818 32.2316 11.3519 -32.3045 -64.1673 -137.807 PRESSAVG: 1659800 30.274 20.5372 -10.0957 20.5372 -11.2874 56.7541 -10.0958 56.7541 -38.1334 GPRESSAVG: 1659800 30.686 22.0772 -11.0874 21.3692 -12.6017 54.7776 -8.54256 58.5099 -37.704 TIMING: 1659800 CPU: 5004.31, 0.00304343/step Wall: 5004.31, 0.00304343/step, 2.82379 hours remaining, 207.574219 MB of memory in use. ENERGY: 1659800 727.6060 2061.3930 1911.8143 112.1482 -205906.5441 17648.3471 0.0000 0.0000 34421.4554 -149023.7801 300.6111 -183445.2355 -148933.7231 299.6271 -64.0049 -30.7239 556961.1121 -6.3823 -6.5399 PRESSURE: 1660000 -52.4001 -21.6796 129.17 -21.6797 474.316 145.243 129.17 145.244 42.4888 GPRESSURE: 1660000 -6.9525 -72.6025 92.7166 13.0815 451.612 102.787 143.336 99.1558 104.219 PRESSAVG: 1660000 -78.796 31.5197 40.182 31.5196 96.3934 38.5054 40.182 38.5053 -10.7996 GPRESSAVG: 1660000 -78.9706 29.9812 39.9382 33.7166 96.5572 38.9458 40.1481 36.7644 -11.2162 TIMING: 1660000 CPU: 5004.92, 0.00303998/step Wall: 5004.92, 0.00303998/step, 2.82042 hours remaining, 207.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1660000 728.1121 2064.8572 1917.3795 104.5297 -206014.6549 17938.6855 0.0000 0.0000 34099.4769 -149161.6139 297.7992 -183261.0909 -149067.1686 299.3832 154.8016 182.9596 556703.4616 2.2659 2.1234 PRESSURE: 1660200 -247.356 134.723 -20.0592 134.723 -25.643 -53.5767 -20.0584 -53.5763 -463.009 GPRESSURE: 1660200 -200.268 122.673 15.4137 102.795 -60.3031 -84.8559 -42.2998 -17.7264 -383.22 PRESSAVG: 1660200 -18.6693 -27.9145 -0.0856504 -27.9146 69.3049 24.4855 -0.0855617 24.4855 6.12748 GPRESSAVG: 1660200 -17.9737 -27.4517 -0.106721 -29.9376 68.0328 25.5078 -1.42362 23.8732 6.077 TIMING: 1660200 CPU: 5005.53, 0.00302618/step Wall: 5005.53, 0.00302618/step, 2.80745 hours remaining, 207.574219 MB of memory in use. ENERGY: 1660200 745.5556 2033.1267 1903.4819 125.3738 -205579.3533 17251.5923 0.0000 0.0000 34428.0097 -149092.2134 300.6684 -183520.2230 -148998.0906 299.4515 -245.3361 -214.5970 557645.4494 18.9210 18.7120 LDB: ============= START OF LOAD BALANCING ============== 5009.05 LDB: ============== END OF LOAD BALANCING =============== 5009.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5009.05 LDB: ============= START OF LOAD BALANCING ============== 5009.35 LDB: Largest compute 4800 load 0.032471 is 27.5% of average load 0.117925 LDB: Average compute 0.001729 is 1.5% of average load 0.117925 LDB: TIME 5009.36 LOAD: AVG 0.117925 MAX 0.223387 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.758 MB LDB: TIME 5009.36 LOAD: AVG 0.117925 MAX 0.223387 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.801 MB LDB: TIME 5009.36 LOAD: AVG 0.117925 MAX 0.223387 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.801 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5009.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5009.36 PRESSURE: 1660400 -212.635 -77.0622 -7.90551 -77.0634 126 221.254 -7.90659 221.255 360.513 GPRESSURE: 1660400 -207.936 -148.855 13.6746 -7.8848 150.757 258.409 24.4039 180.886 427.69 PRESSAVG: 1660400 -114.41 -10.431 -7.63062 -10.4309 17.7661 8.00375 -7.63055 8.00358 43.3864 GPRESSAVG: 1660400 -115.769 -10.4038 -7.90495 -10.2776 18.9348 7.63283 -7.5988 9.49667 43.3763 TIMING: 1660400 CPU: 5006.15, 0.00310949/step Wall: 5006.15, 0.00310949/step, 2.88457 hours remaining, 208.015625 MB of memory in use. ENERGY: 1660400 744.5011 2074.1324 1943.0931 109.0770 -206414.5361 17959.9108 0.0000 0.0000 34474.7947 -149109.0271 301.0770 -183583.8217 -149015.5247 299.5724 91.2927 123.5034 556254.2944 -17.7525 -17.8192 PRESSURE: 1660600 -10.9333 5.079 179.95 5.07937 -34.6603 -28.1091 179.951 -28.1098 -449.079 GPRESSURE: 1660600 -25.0264 -4.97914 190.103 64.6949 -26.7661 51.8282 136.388 -129.262 -347.915 PRESSAVG: 1660600 -8.19798 18.9657 -5.29878 18.9656 47.2096 15.4885 -5.29878 15.4884 -67.4029 GPRESSAVG: 1660600 -8.81966 20.0518 -5.37853 19.5837 45.9285 15.7773 -5.30855 16.8658 -66.1493 TIMING: 1660600 CPU: 5006.76, 0.00305876/step Wall: 5006.76, 0.00305876/step, 2.83734 hours remaining, 208.332031 MB of memory in use. ENERGY: 1660600 738.1053 2135.3837 1900.8204 109.3717 -205691.3059 17366.5033 0.0000 0.0000 34248.3589 -149192.7625 299.0994 -183441.1214 -149094.0870 299.3916 -164.8907 -133.2359 557762.6391 -9.4638 -9.6802 PRESSURE: 1660800 108.806 -145.004 -173.183 -145.003 29.3282 -74.732 -173.184 -74.7328 -141.817 GPRESSURE: 1660800 129.779 -97.3465 -53.5826 -153.692 60.1619 -34.6931 -234.439 -93.3409 -89.5502 PRESSAVG: 1660800 25.1151 4.29717 64.0336 4.29722 28.0386 -4.60686 64.0336 -4.60688 -48.0799 GPRESSAVG: 1660800 24.9936 3.92261 65.5568 2.77043 28.6414 -4.69865 63.7394 -5.90583 -48.1003 TIMING: 1660800 CPU: 5007.37, 0.00304633/step Wall: 5007.37, 0.00304633/step, 2.82564 hours remaining, 208.332031 MB of memory in use. ENERGY: 1660800 741.0970 2121.8959 1946.3213 121.7187 -206072.0200 17729.6435 0.0000 0.0000 34177.6973 -149233.6463 298.4823 -183411.3435 -149139.5050 299.7232 -1.2274 33.4635 556962.3966 1.6913 1.8449 PRESSURE: 1661000 -274.898 -12.7097 21.9757 -12.7099 -181.776 0.681383 21.9766 0.680287 7.23129 GPRESSURE: 1661000 -155.905 43.6768 73.626 -59.031 -221.946 -41.2403 -14.2846 41.3874 30.656 PRESSAVG: 1661000 -9.05352 -38.8878 -6.07441 -38.8878 57.7697 -26.4104 -6.07446 -26.4104 -43.3203 GPRESSAVG: 1661000 -7.96384 -38.5204 -8.44656 -39.5391 57.4236 -28.2018 -6.2126 -26.3027 -44.1278 TIMING: 1661000 CPU: 5007.98, 0.00305461/step Wall: 5007.98, 0.00305461/step, 2.83315 hours remaining, 208.332031 MB of memory in use. ENERGY: 1661000 722.2598 2040.0661 1953.5653 115.7905 -206122.6676 17688.6509 0.0000 0.0000 34289.5127 -149312.8223 299.4588 -183602.3350 -149227.8169 298.8513 -149.8140 -115.7317 556210.3661 1.7986 1.7773 PRESSURE: 1661200 -96.1513 -55.4421 137.076 -55.4419 -260.15 -178.174 137.076 -178.173 -291.161 GPRESSURE: 1661200 -55.6928 -24.4955 220.545 -94.8437 -256.189 -114.052 85.8378 -238.189 -250.19 PRESSAVG: 1661200 -65.868 -39.4147 -25.0978 -39.4148 105.675 -100.897 -25.0978 -100.897 -13.6915 GPRESSAVG: 1661200 -66.5493 -38.1827 -24.9192 -40.3659 105.327 -99.8377 -23.5423 -102.642 -12.6627 TIMING: 1661200 CPU: 5008.59, 0.00304035/step Wall: 5008.59, 0.00304035/step, 2.81976 hours remaining, 208.332031 MB of memory in use. ENERGY: 1661200 776.6430 2072.1944 1953.4557 116.7927 -206196.3651 17635.3886 0.0000 0.0000 34268.3068 -149373.5839 299.2736 -183641.8907 -149277.9239 299.1312 -215.8207 -187.3574 557440.9905 8.7052 8.7051 PRESSURE: 1661400 -232.378 24.3809 -5.77631 24.3797 20.5491 -14.251 -5.77516 -14.2492 122.984 GPRESSURE: 1661400 -143.499 7.14855 -32.6459 -13.4707 50.9949 85.4915 -17.6085 -6.09425 99.0968 PRESSAVG: 1661400 -12.9246 -30.6668 -30.8945 -30.6669 1.18972 -27.4971 -30.8946 -27.4972 -4.48488 GPRESSAVG: 1661400 -12.774 -32.3312 -28.7071 -28.2895 2.42945 -27.5123 -32.5569 -24.608 -6.20372 TIMING: 1661400 CPU: 5009.19, 0.00300981/step Wall: 5009.19, 0.00300981/step, 2.79126 hours remaining, 208.332031 MB of memory in use. ENERGY: 1661400 696.9350 2071.9097 1910.1215 109.5804 -206110.6538 17661.9820 0.0000 0.0000 34251.7583 -149408.3670 299.1291 -183660.1253 -149310.1860 298.3792 -29.6151 2.1976 557109.2814 -5.4066 -5.5161 PRESSURE: 1661600 57.2955 -26.526 113.764 -26.5256 -95.2249 193.886 113.764 193.886 159.012 GPRESSURE: 1661600 95.4871 -28.5856 114.907 -64.0797 -20.7301 211.489 111.726 174.237 142.464 PRESSAVG: 1661600 -39.6544 -9.2096 2.84993 -9.20967 25.5825 -7.54464 2.84995 -7.54464 31.8903 GPRESSAVG: 1661600 -39.6022 -9.11877 1.04399 -10.6063 25.1187 -6.40796 2.7928 -11.7289 31.9487 TIMING: 1661600 CPU: 5009.8, 0.00303842/step Wall: 5009.8, 0.00303842/step, 2.81763 hours remaining, 208.332031 MB of memory in use. ENERGY: 1661600 754.2054 2147.0889 1933.3818 118.5570 -206468.4790 17971.6644 0.0000 0.0000 34168.1562 -149375.4253 298.3990 -183543.5815 -149287.3815 298.9830 40.3610 72.4070 555978.7224 5.9395 5.8217 PRESSURE: 1661800 28.4677 21.5406 81.7481 21.5408 -104.553 105.155 81.7474 105.156 125.356 GPRESSURE: 1661800 58.4008 56.2195 106.126 69.5071 -31.3994 109.011 82.8787 162.511 127.014 PRESSAVG: 1661800 -53.3396 -18.19 10.2389 -18.19 82.588 93.1688 10.239 93.1689 -23.2978 GPRESSAVG: 1661800 -53.0727 -18.4527 9.42586 -16.6728 82.283 93.289 13.6043 94.6953 -23.3656 TIMING: 1661800 CPU: 5010.4, 0.00301306/step Wall: 5010.4, 0.00301306/step, 2.79394 hours remaining, 208.343750 MB of memory in use. ENERGY: 1661800 731.1802 2077.0796 1921.2965 113.4697 -206223.1468 17859.9674 0.0000 0.0000 34142.8906 -149377.2629 298.1784 -183520.1535 -149278.5460 299.1059 16.4234 51.3384 557077.7703 1.9835 1.9482 PRESSURE: 1662000 75.9313 -45.1256 -111.251 -45.1258 114.659 -28.9526 -111.251 -28.9518 -216.184 GPRESSURE: 1662000 83.1421 -81.18 -16.3732 7.93988 154.344 37.3661 -47.0106 -47.7761 -166.127 PRESSAVG: 1662000 29.2012 24.096 -26.08 24.096 39.8105 37.793 -26.08 37.7929 -10.835 GPRESSAVG: 1662000 29.4423 25.1392 -23.5808 23.3273 39.6722 37.5135 -28.121 38.4333 -10.4818 TIMING: 1662000 CPU: 5011, 0.00302539/step Wall: 5011, 0.00302539/step, 2.80521 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: 1662000 758.9982 2068.3004 1892.1010 109.5345 -206586.7248 18025.7478 0.0000 0.0000 34388.4459 -149343.5970 300.3229 -183732.0429 -149243.9037 299.4268 -8.5311 23.7864 557883.7708 19.3923 19.5442 PRESSURE: 1662200 -112.21 -39.1679 7.86204 -39.1692 -90.8959 3.71268 7.86155 3.71216 -181.266 GPRESSURE: 1662200 -56.9496 -111.188 82.5044 78.3633 -58.3037 -4.31375 15.8249 35.9819 -170.848 PRESSAVG: 1662200 19.4012 -19.3859 36.3884 -19.3859 -21.822 32.0388 36.3883 32.0388 11.6585 GPRESSAVG: 1662200 19.1041 -19.7287 35.4288 -17.2717 -21.8496 33.3135 36.3769 31.2994 11.3431 TIMING: 1662200 CPU: 5011.62, 0.00306379/step Wall: 5011.62, 0.00306379/step, 2.84065 hours remaining, 208.343750 MB of memory in use. ENERGY: 1662200 772.5028 2091.9901 1941.4391 113.4706 -206252.9381 17696.8017 0.0000 0.0000 34187.0331 -149449.7008 298.5639 -183636.7338 -149342.8080 299.0040 -128.1239 -95.3672 557745.8836 3.0792 2.8659 PRESSURE: 1662400 -261.598 -8.59518 45.7589 -8.59343 -338.954 47.4865 45.7598 47.4856 24.134 GPRESSURE: 1662400 -237.563 22.6137 69.896 -82.2766 -282.611 46.9186 -21.7773 130.78 45.4503 PRESSAVG: 1662400 38.4832 -19.371 -0.908854 -19.371 -17.8643 22.4832 -0.908988 22.4832 -20.819 GPRESSAVG: 1662400 38.5027 -19.1479 -0.246951 -20.1608 -17.4122 22.3343 -3.82817 22.7335 -20.8181 TIMING: 1662400 CPU: 5012.23, 0.0030691/step Wall: 5012.23, 0.0030691/step, 2.84539 hours remaining, 208.343750 MB of memory in use. ENERGY: 1662400 801.1403 2168.5184 1934.0229 132.8046 -206355.2778 17616.7792 0.0000 0.0000 34292.4014 -149409.6109 299.4841 -183702.0123 -149313.8974 299.2984 -192.1394 -158.2411 558549.0637 -0.0667 0.0908 PRESSURE: 1662600 -5.85901 179.585 103.076 179.585 -41.0315 -43.6859 103.076 -43.6845 123.706 GPRESSURE: 1662600 -8.86115 33.6134 121.053 187.707 47.3078 -25.3206 -0.643414 -4.92563 132.222 PRESSAVG: 1662600 33.7224 -40.1616 -7.84092 -40.1617 -6.53934 25.4542 -7.8409 25.4542 -28.8307 GPRESSAVG: 1662600 32.7795 -41.0365 -8.20146 -40.4796 -6.63783 24.1226 -6.93307 27.2542 -28.191 TIMING: 1662600 CPU: 5012.84, 0.00305844/step Wall: 5012.84, 0.00305844/step, 2.83535 hours remaining, 208.343750 MB of memory in use. ENERGY: 1662600 765.8725 2093.6742 1918.7466 113.0253 -206676.2702 17962.0170 0.0000 0.0000 34396.8996 -149426.0349 300.3967 -183822.9345 -149331.1432 298.6090 25.6052 56.8896 558425.9723 -0.5492 -0.6831 PRESSURE: 1662800 221.078 -137.488 77.9102 -137.489 109.46 -124.132 77.91 -124.133 180.494 GPRESSURE: 1662800 276.615 -134.289 12.7892 -242.842 82.7178 -135.126 191.132 -102.119 239.071 PRESSAVG: 1662800 30.5186 -31.7422 -17.5601 -31.7423 11.3962 5.52163 -17.5602 5.52165 -17.4535 GPRESSAVG: 1662800 30.2049 -29.4071 -17.1769 -31.7031 10.7977 7.00353 -17.5584 3.27945 -17.0859 TIMING: 1662800 CPU: 5013.45, 0.00305394/step Wall: 5013.45, 0.00305394/step, 2.831 hours remaining, 208.343750 MB of memory in use. ENERGY: 1662800 712.4380 2061.2015 1934.0098 119.7538 -206748.8510 18224.4279 0.0000 0.0000 34444.3014 -149252.7186 300.8107 -183697.0199 -149158.9408 298.9130 170.3441 199.4678 557339.8080 8.1538 7.9722 PRESSURE: 1663000 -139.647 36.3609 -71.9926 36.3611 -222.386 51.9055 -71.993 51.9034 -409.88 GPRESSURE: 1663000 -134.76 -38.1308 -145.882 91.223 -160.443 -21.4798 -3.46991 43.4489 -370.135 PRESSAVG: 1663000 -46.3167 -7.62979 15.5459 -7.62983 35.8659 17.2144 15.546 17.2144 17.7528 GPRESSAVG: 1663000 -44.9731 -10.4791 17.0548 -7.16645 36.2678 15.8428 16.8985 18.2677 16.3864 TIMING: 1663000 CPU: 5014.06, 0.0030332/step Wall: 5014.06, 0.0030332/step, 2.81161 hours remaining, 208.343750 MB of memory in use. ENERGY: 1663000 754.6282 2085.4629 1918.9956 123.5232 -206335.2971 17475.8002 0.0000 0.0000 34285.4568 -149691.4301 299.4234 -183976.8868 -149595.7495 299.0105 -257.3045 -221.7792 557817.7966 2.4340 2.5604 PRESSURE: 1663200 0.397827 41.4713 -20.602 41.472 -161.899 -64.686 -20.6024 -64.6858 -146.728 GPRESSURE: 1663200 10.1776 -5.48001 -43.7691 129.869 -114.133 -111.47 -25.6473 -53.3649 -105.618 PRESSAVG: 1663200 -36.174 23.0178 13.478 23.0177 -21.2092 -62.8482 13.4779 -62.848 37.4718 GPRESSAVG: 1663200 -37.0007 26.9493 11.2524 22.0232 -20.6335 -63.9872 12.6061 -63.1663 37.7645 TIMING: 1663200 CPU: 5014.67, 0.00303182/step Wall: 5014.67, 0.00303182/step, 2.81016 hours remaining, 208.343750 MB of memory in use. ENERGY: 1663200 748.1427 2113.5338 1916.5192 126.1640 -206287.3187 17796.6038 0.0000 0.0000 34025.1010 -149561.2543 297.1497 -183586.3554 -149467.9292 298.1222 -102.7432 -69.8578 557658.9069 -6.6371 -6.6233 PRESSURE: 1663400 36.3972 -63.2062 -287.445 -63.2055 -275.867 88.2511 -287.444 88.2513 459.249 GPRESSURE: 1663400 61.8508 -114.436 -217.215 83.7986 -198.224 174.459 -215.831 36.4908 452.337 PRESSAVG: 1663400 -51.4765 60.1734 -5.35396 60.1735 41.4285 22.0521 -5.35393 22.0523 24.0489 GPRESSAVG: 1663400 -51.056 57.2297 -4.83571 61.9418 40.4602 22.5144 -4.6711 21.4445 24.4807 TIMING: 1663400 CPU: 5015.27, 0.00302961/step Wall: 5015.27, 0.00302961/step, 2.80794 hours remaining, 208.343750 MB of memory in use. ENERGY: 1663400 769.2492 2138.4233 1919.8920 116.3332 -206293.0032 17870.6384 0.0000 0.0000 34067.7995 -149410.6675 297.5226 -183478.4671 -149323.3828 298.5350 73.2598 105.3213 555478.6893 4.6670 4.6283 PRESSURE: 1663600 -134.082 30.86 -33.5305 30.8589 -71.604 -38.1009 -33.5316 -38.1008 96.2415 GPRESSURE: 1663600 -86.2554 14.9102 7.78213 -21.8407 -103.699 -53.9204 -47.1364 -90.7536 177.867 PRESSAVG: 1663600 0.466717 -15.5086 -29.2445 -15.5087 2.77877 1.30889 -29.2444 1.30887 18.8275 GPRESSAVG: 1663600 0.183615 -14.6175 -28.9725 -16.4446 3.45299 2.41341 -28.5526 1.5085 18.3825 TIMING: 1663600 CPU: 5015.88, 0.00302057/step Wall: 5015.88, 0.00302057/step, 2.79939 hours remaining, 208.343750 MB of memory in use. ENERGY: 1663600 752.5082 2097.6192 1937.3586 114.8909 -206358.2848 17681.3676 0.0000 0.0000 34415.7399 -149358.8003 300.5612 -183774.5402 -149264.3916 298.6663 -36.4815 -4.0290 556209.4898 7.3577 7.3397 PRESSURE: 1663800 -234.428 -50.298 29.1102 -50.2989 130.045 -51.0225 29.1096 -51.0216 13.7426 GPRESSURE: 1663800 -174.275 -93.1844 101.177 -146.181 137.067 -23.3863 -20.4761 -52.2075 26.1168 PRESSAVG: 1663800 28.1416 -15.5149 -0.00756398 -15.5149 -39.4008 31.1341 -0.00755159 31.1342 -11.4904 GPRESSAVG: 1663800 28.5087 -15.5032 -0.771485 -16.6823 -39.4166 29.8268 -0.309422 31.8362 -11.231 TIMING: 1663800 CPU: 5016.48, 0.00304222/step Wall: 5016.48, 0.00304222/step, 2.8193 hours remaining, 208.343750 MB of memory in use. ENERGY: 1663800 720.7673 2088.7182 1923.0926 123.2218 -206134.1562 17719.5968 0.0000 0.0000 34352.7007 -149206.0588 300.0107 -183558.7594 -149105.9848 299.3046 -30.2135 -3.6969 558485.4696 -7.5832 -7.3796 PRESSURE: 1664000 -295.13 -0.0648331 -188.988 -0.0660321 66.546 90.399 -188.988 90.3972 10.2992 GPRESSURE: 1664000 -292.615 -6.72238 -203.264 -21.3499 124.939 7.14309 -150.892 109.768 45.1767 PRESSAVG: 1664000 -18.288 -23.151 -69.8767 -23.1511 19.7109 6.5726 -69.8766 6.57252 -34.9149 GPRESSAVG: 1664000 -18.2947 -25.4296 -71.4437 -21.3181 20.0385 6.95875 -70.269 5.66955 -35.0663 TIMING: 1664000 CPU: 5017.09, 0.0030071/step Wall: 5017.09, 0.0030071/step, 2.78658 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: 1664000 764.9806 2158.2850 1953.7458 112.4431 -206291.4990 17846.4915 0.0000 0.0000 34307.4230 -149148.1300 299.6153 -183455.5530 -149055.9795 299.8659 -72.7616 -40.8331 558056.0593 -11.1640 -11.1075 PRESSURE: 1664200 -263.622 93.2892 66.851 93.29 -44.816 -56.4239 66.8509 -56.4232 -72.3736 GPRESSURE: 1664200 -242.001 134.264 133.563 63.3964 90.507 -3.57128 63.4927 -16.713 -128.117 PRESSAVG: 1664200 58.0735 3.12468 -64.1734 3.12466 14.7883 41.9075 -64.1734 41.9075 -25.1479 GPRESSAVG: 1664200 57.8371 3.85314 -64.1202 2.20953 15.0399 43.4102 -62.0843 41.256 -24.6863 TIMING: 1664200 CPU: 5017.69, 0.00300407/step Wall: 5017.69, 0.00300407/step, 2.78361 hours remaining, 208.343750 MB of memory in use. ENERGY: 1664200 752.7071 2161.7206 1936.2152 130.7719 -206189.8764 17674.6036 0.0000 0.0000 34374.7376 -149159.1206 300.2031 -183533.8581 -149061.9655 299.9326 -126.9371 -93.2037 556050.6773 15.9046 16.0635 LDB: ============= START OF LOAD BALANCING ============== 5021.21 LDB: ============== END OF LOAD BALANCING =============== 5021.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5021.21 LDB: ============= START OF LOAD BALANCING ============== 5021.51 LDB: Largest compute 4800 load 0.031902 is 27.0% of average load 0.117966 LDB: Average compute 0.001724 is 1.5% of average load 0.117966 LDB: TIME 5021.51 LOAD: AVG 0.117966 MAX 0.217793 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.883 MB LDB: TIME 5021.51 LOAD: AVG 0.117966 MAX 0.217793 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.883 MB LDB: TIME 5021.51 LOAD: AVG 0.117966 MAX 0.217793 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.883 MB LDB: ============== END OF LOAD BALANCING =============== 5021.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5021.52 PRESSURE: 1664400 -399.317 124.515 -54.7423 124.515 -106.391 7.0292 -54.7419 7.03023 -232.397 GPRESSURE: 1664400 -376.097 133.954 -66.2168 133.375 -94.3692 -55.1459 -8.42799 123.661 -171.183 PRESSAVG: 1664400 7.68616 38.1901 -9.92959 38.1901 34.0038 -21.7859 -9.92948 -21.7858 -46.0205 GPRESSAVG: 1664400 7.26988 39.2897 -7.44455 39.3656 35.1563 -23.5374 -12.6783 -20.624 -47.0302 TIMING: 1664400 CPU: 5018.3, 0.00306944/step Wall: 5018.3, 0.00306944/step, 2.84401 hours remaining, 209.230469 MB of memory in use. ENERGY: 1664400 774.4262 2147.4307 1928.0611 105.1695 -205557.7576 17343.0305 0.0000 0.0000 34251.5996 -149008.0398 299.1277 -183259.6394 -148909.7756 300.1881 -246.0352 -213.8832 557938.6770 -1.4435 -1.5347 PRESSURE: 1664600 -98.6681 -43.2113 91.7989 -43.2113 32.138 -125.15 91.7991 -125.148 94.8547 GPRESSURE: 1664600 -106.319 -32.6984 152.869 -46.6562 62.1335 -105.819 87.9985 -133.379 178.442 PRESSAVG: 1664600 -31.0384 -9.21336 -12.2589 -9.21331 30.9572 -43.3965 -12.2589 -43.3965 -29.4335 GPRESSAVG: 1664600 -30.4329 -10.0925 -12.4015 -11.4463 29.3773 -44.2417 -11.3425 -44.1617 -28.5882 TIMING: 1664600 CPU: 5018.9, 0.00299197/step Wall: 5018.9, 0.00299197/step, 2.77206 hours remaining, 209.375000 MB of memory in use. ENERGY: 1664600 761.5276 2152.1654 1945.3567 118.6956 -206118.7710 17725.4205 0.0000 0.0000 34570.1373 -148845.4679 301.9096 -183415.6052 -148755.4377 300.0470 9.4415 44.7523 556101.3510 -9.8382 -9.8813 PRESSURE: 1664800 168.731 -171.979 32.3692 -171.98 -301.218 65.7142 32.3699 65.7142 273.665 GPRESSURE: 1664800 163.601 -77.7576 28.0209 -218.917 -187.621 51.8593 34.5926 79.2492 266.9 PRESSAVG: 1664800 -0.318505 -15.9885 10.6773 -15.9887 58.6276 -4.08539 10.6773 -4.08543 -30.5054 GPRESSAVG: 1664800 -0.450457 -14.4329 11.6131 -15.3462 58.1841 -2.33144 11.0652 -3.33635 -30.2964 TIMING: 1664800 CPU: 5019.5, 0.00301182/step Wall: 5019.5, 0.00301182/step, 2.79029 hours remaining, 209.375000 MB of memory in use. ENERGY: 1664800 738.9777 2138.6688 1960.0096 110.4105 -206083.5354 17829.5366 0.0000 0.0000 34345.7236 -148960.2086 299.9497 -183305.9321 -148864.3141 300.9873 47.0594 80.9600 557086.0022 9.2679 9.1457 PRESSURE: 1665000 -206.461 -39.1017 -97.614 -39.1013 -141.163 -28.1969 -97.6146 -28.1973 -160.39 GPRESSURE: 1665000 -170.578 -63.1772 -121.484 -72.6841 -146.809 44.154 -172.798 -25.6469 -93.2931 PRESSAVG: 1665000 -15.8428 -43.9467 1.98846 -43.9466 46.3003 -2.84921 1.98846 -2.84915 -7.70238 GPRESSAVG: 1665000 -15.551 -46.3934 4.00209 -44.5519 45.5928 -1.1821 -1.03089 -5.51534 -7.27659 TIMING: 1665000 CPU: 5020.11, 0.0030476/step Wall: 5020.11, 0.0030476/step, 2.82326 hours remaining, 209.375000 MB of memory in use. ENERGY: 1665000 763.1567 2090.6001 1928.6066 122.0206 -205708.7103 17524.7094 0.0000 0.0000 34349.7770 -148929.8399 299.9851 -183279.6169 -148831.5887 299.9991 -169.3379 -136.8936 557357.1039 7.5850 7.5884 PRESSURE: 1665200 12.7016 -8.66602 -5.47125 -8.66678 -127.065 258.813 -5.47127 258.812 57.4027 GPRESSURE: 1665200 54.0336 -23.2163 -9.42707 51.8252 -88.4288 232.745 68.9375 289.514 71.4222 PRESSAVG: 1665200 -21.5616 -30.9143 8.16815 -30.9144 -20.7635 25.1758 8.16819 25.1759 26.2317 GPRESSAVG: 1665200 -21.2049 -29.3149 3.84566 -30.1952 -20.6129 23.7024 10.3525 26.8621 26.6303 TIMING: 1665200 CPU: 5020.72, 0.00306022/step Wall: 5020.72, 0.00306022/step, 2.83478 hours remaining, 209.375000 MB of memory in use. ENERGY: 1665200 734.6095 2111.8579 1924.4963 109.3365 -205831.6147 17655.6121 0.0000 0.0000 34243.2036 -149052.4989 299.0544 -183295.7025 -148953.7013 299.2095 -18.9868 12.3423 558288.6835 -5.3645 -5.0625 PRESSURE: 1665400 -63.6364 147.795 188.585 147.794 140.606 22.0096 188.585 22.0088 161.657 GPRESSURE: 1665400 -62.8704 152.341 170.264 111.203 216.56 48.5297 173.331 8.80512 192.433 PRESSAVG: 1665400 -4.19754 12.7343 -2.5641 12.7343 19.6511 -22.8728 -2.56416 -22.8727 40.3993 GPRESSAVG: 1665400 -4.63143 10.7934 -2.34619 14.62 21.349 -23.033 -3.42593 -23.3056 39.1544 TIMING: 1665400 CPU: 5021.33, 0.00302216/step Wall: 5021.33, 0.00302216/step, 2.79936 hours remaining, 209.375000 MB of memory in use. ENERGY: 1665400 741.1715 2061.4509 1938.8341 117.7317 -206375.7440 17879.9855 0.0000 0.0000 34621.8731 -149014.6972 302.3614 -183636.5703 -148925.5457 300.0902 79.5423 115.3743 557012.6990 18.6176 18.6240 PRESSURE: 1665600 253.418 -2.99147 86.8835 -2.99198 54.7512 122.673 86.8831 122.675 134.748 GPRESSURE: 1665600 252.526 -5.01719 132.456 26.1025 92.7317 137.751 36.7283 66.0939 189.825 PRESSAVG: 1665600 -115.276 -19.3239 -37.7986 -19.3239 73.5981 51.8618 -37.7987 51.8618 41.0504 GPRESSAVG: 1665600 -115.068 -16.3106 -36.5634 -23.4339 71.7334 49.9254 -38.0317 52.1421 42.3571 TIMING: 1665600 CPU: 5021.94, 0.00304159/step Wall: 5021.94, 0.00304159/step, 2.81719 hours remaining, 209.375000 MB of memory in use. ENERGY: 1665600 731.8382 2140.5278 1914.0120 112.0075 -206344.4415 17945.5262 0.0000 0.0000 34223.5171 -149277.0127 298.8825 -183500.5298 -149181.7124 299.8260 147.6390 178.3610 556575.0924 -0.2093 -0.3259 PRESSURE: 1665800 203.096 63.1272 -146.714 63.1273 -69.8023 -237.706 -146.712 -237.706 -70.0598 GPRESSURE: 1665800 222.776 27.0411 -194.434 83.6101 -62.9612 -120.911 -193.867 -207.225 -0.125748 PRESSAVG: 1665800 -58.1715 4.93149 8.28468 4.93141 24.2093 -14.1174 8.28481 -14.1175 26.0426 GPRESSAVG: 1665800 -57.7498 3.80033 5.19371 7.70256 25.4355 -12.2462 10.1446 -13.9098 24.4897 TIMING: 1665800 CPU: 5022.55, 0.00306704/step Wall: 5022.55, 0.00306704/step, 2.84059 hours remaining, 209.375000 MB of memory in use. ENERGY: 1665800 761.7229 2134.4804 1952.9993 101.8757 -206427.7475 17913.0235 0.0000 0.0000 34423.3996 -149140.2461 300.6281 -183563.6457 -149043.7522 299.3130 21.0778 53.2298 556507.3891 -2.6398 -2.6082 PRESSURE: 1666000 -40.3699 -72.0713 -25.0248 -72.0713 216.968 -18.3873 -25.0253 -18.3875 -97.0358 GPRESSURE: 1666000 -7.18927 -23.6851 -4.37863 -86.1892 228.924 -84.5893 -6.82213 9.8448 -47.0493 PRESSAVG: 1666000 -14.9919 78.6545 -18.9582 78.6545 60.151 9.3044 -18.9583 9.30446 -57.8697 GPRESSAVG: 1666000 -15.8925 78.9594 -16.9664 78.9315 59.8823 8.86274 -20.3486 10.4132 -57.3157 TIMING: 1666000 CPU: 5023.17, 0.00308483/step Wall: 5023.17, 0.00308483/step, 2.85689 hours remaining, 209.375000 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: 1666000 737.2834 2100.9216 1910.8950 99.0185 -206210.2083 17881.6710 0.0000 0.0000 34258.3806 -149222.0381 299.1870 -183480.4188 -149126.4373 298.9438 26.5206 58.2284 558493.5499 -4.2369 -4.4420 PRESSURE: 1666200 98.4188 72.0039 -1.14775 72.0028 77.3772 199.887 -1.14626 199.888 -226.974 GPRESSURE: 1666200 108.882 34.5466 59.7628 67.4248 144.405 181.598 -20.1139 230.14 -207.796 PRESSAVG: 1666200 -18.1175 13.0533 -2.90285 13.0533 14.4855 1.71386 -2.90279 1.71388 -28.5575 GPRESSAVG: 1666200 -17.7985 11.0501 -2.82944 11.1313 14.8073 1.81109 -0.571441 2.28201 -28.8246 TIMING: 1666200 CPU: 5023.78, 0.00307238/step Wall: 5023.78, 0.00307238/step, 2.84519 hours remaining, 209.375000 MB of memory in use. ENERGY: 1666200 724.8847 2193.4002 1908.6306 109.4425 -206274.6491 17810.2074 0.0000 0.0000 34406.3943 -149121.6893 300.4796 -183528.0836 -149023.0955 299.3714 -17.0593 15.1637 557720.0188 -10.7299 -10.6053 PRESSURE: 1666400 128.514 -103.72 41.4358 -103.72 -202.537 -46.0948 41.4363 -46.0959 -25.0335 GPRESSURE: 1666400 181.598 -131.378 55.3213 -98.4617 -224.574 -33.927 78.3985 -65.5489 38.2932 PRESSAVG: 1666400 3.14478 -27.266 -21.0144 -27.2659 1.62351 44.426 -21.0144 44.4261 -14.2817 GPRESSAVG: 1666400 3.32086 -26.051 -21.5598 -27.5068 2.25998 45.9999 -21.9341 41.5155 -14.5077 TIMING: 1666400 CPU: 5024.39, 0.0030498/step Wall: 5024.39, 0.0030498/step, 2.82411 hours remaining, 209.375000 MB of memory in use. ENERGY: 1666400 723.0494 2164.5372 1934.5061 119.6523 -206145.6960 17699.7362 0.0000 0.0000 34410.7101 -149093.5047 300.5173 -183504.2148 -148991.7375 300.2188 -33.0189 -1.5611 558210.4598 -3.1711 -2.9756 PRESSURE: 1666600 -278.622 -60.628 35.6636 -60.6276 -46.2826 -196.954 35.6626 -196.953 -93.4734 GPRESSURE: 1666600 -187.51 -12.0662 155.395 -89.8379 -46.6347 -100.314 -62.1182 -126.558 -94.8717 PRESSAVG: 1666600 -30.5429 -96.0067 -9.36246 -96.0067 -2.29283 -0.28652 -9.36247 -0.286432 45.407 GPRESSAVG: 1666600 -30.2692 -95.7896 -8.77275 -96.2568 -3.74121 -1.43401 -8.49297 0.873057 46.2166 TIMING: 1666600 CPU: 5025, 0.0030269/step Wall: 5025, 0.0030269/step, 2.80275 hours remaining, 209.375000 MB of memory in use. ENERGY: 1666600 756.0019 2078.2231 1929.2068 114.1393 -205845.9344 17666.7025 0.0000 0.0000 34155.6931 -149145.9677 298.2902 -183301.6608 -149051.9472 299.2636 -139.4595 -109.6720 557651.7919 4.1904 4.0687 PRESSURE: 1666800 -105.022 89.3737 -12.1577 89.3738 -192.57 -53.5221 -12.1574 -53.5202 45.6702 GPRESSURE: 1666800 -93.8533 83.1129 2.07063 87.7006 -149.865 -114.121 -35.9498 -13.742 71.1204 PRESSAVG: 1666800 -1.55931 -13.8888 36.0561 -13.8888 -53.1886 -43.6036 36.0561 -43.6036 48.2581 GPRESSAVG: 1666800 -2.06365 -14.6354 35.3073 -12.698 -52.9038 -41.8748 35.5164 -43.8749 48.1982 TIMING: 1666800 CPU: 5025.6, 0.00302354/step Wall: 5025.6, 0.00302354/step, 2.79946 hours remaining, 209.375000 MB of memory in use. ENERGY: 1666800 736.9907 2100.9400 1937.0947 103.1079 -205980.2768 17707.2253 0.0000 0.0000 34316.9447 -149077.9734 299.6984 -183394.9182 -148977.7327 299.5197 -83.9740 -57.5327 557981.5891 -2.1633 -2.2564 PRESSURE: 1667000 -105.116 -26.6548 38.3569 -26.6551 12.1969 -72.1705 38.3569 -72.1698 -36.5929 GPRESSURE: 1667000 -91.0279 -22.2826 98.135 -78.5331 100.381 -12.2844 30.7548 -60.1861 -45.7404 PRESSAVG: 1667000 -15.7486 8.78152 1.55418 8.78159 -41.4525 -34.4458 1.5541 -34.4459 29.2187 GPRESSAVG: 1667000 -16.4407 9.57885 0.316099 8.93749 -41.1167 -36.2732 1.01911 -34.4753 29.252 TIMING: 1667000 CPU: 5026.21, 0.00303024/step Wall: 5026.21, 0.00303024/step, 2.8055 hours remaining, 209.375000 MB of memory in use. ENERGY: 1667000 737.2626 2071.7657 1952.9037 100.8330 -206186.4642 17738.9778 0.0000 0.0000 34448.4225 -149136.2989 300.8466 -183584.7214 -149032.0549 299.8618 -43.1706 -12.1290 558447.8040 -9.3275 -9.4351 PRESSURE: 1667200 111.526 18.4978 88.5404 18.4977 -27.7662 11.5265 88.5401 11.5263 312.413 GPRESSURE: 1667200 188.334 49.8857 109.765 56.3708 19.6231 13.4523 77.3458 18.486 284.939 PRESSAVG: 1667200 -23.9882 -42.657 30.2981 -42.6569 -5.3789 -3.80317 30.2981 -3.80316 59.2073 GPRESSAVG: 1667200 -22.8054 -43.9443 33.0103 -42.2479 -6.71535 -4.28662 28.7515 -5.08407 59.2143 TIMING: 1667200 CPU: 5026.82, 0.00304589/step Wall: 5026.82, 0.00304589/step, 2.81981 hours remaining, 209.375000 MB of memory in use. ENERGY: 1667200 735.3262 2161.8057 1938.3313 107.9695 -206490.5108 18065.8942 0.0000 0.0000 34119.3796 -149361.8043 297.9730 -183481.1838 -149268.0500 299.4381 132.0575 164.2989 557215.8400 9.9467 9.8978 PRESSURE: 1667400 -75.9597 -47.8565 155.018 -47.8583 -4.75856 -19.3422 155.017 -19.3434 -7.13874 GPRESSURE: 1667400 -90.6824 25.017 129.32 -105.709 -32.3552 -108.312 194.604 -6.01773 143.695 PRESSAVG: 1667400 16.6868 -33.7257 58.488 -33.7256 -4.64996 19.9658 58.4881 19.9659 67.4729 GPRESSAVG: 1667400 17.0245 -29.852 57.7747 -34.5876 -3.75042 19.8604 57.8496 21.6189 67.0307 TIMING: 1667400 CPU: 5027.43, 0.00305833/step Wall: 5027.43, 0.00305833/step, 2.83117 hours remaining, 209.375000 MB of memory in use. ENERGY: 1667400 703.2125 2139.9934 1923.2433 112.7325 -206099.7100 17662.3983 0.0000 0.0000 34279.2448 -149278.8853 299.3692 -183558.1301 -149184.5571 299.0264 -29.2857 6.8857 558283.2915 26.5032 26.7683 PRESSURE: 1667600 91.1093 -46.5911 63.7259 -46.5925 48.5388 107.067 63.7259 107.064 229.578 GPRESSURE: 1667600 106.118 14.1432 47.7609 -118.768 89.0594 13.6029 38.832 132.366 280.214 PRESSAVG: 1667600 36.6891 -19.9023 -13.922 -19.9022 0.571802 7.56812 -13.922 7.56812 -39.7256 GPRESSAVG: 1667600 36.1971 -23.349 -16.1947 -18.8422 0.579082 8.97777 -11.665 6.96407 -39.2416 TIMING: 1667600 CPU: 5028.04, 0.00306317/step Wall: 5028.04, 0.00306317/step, 2.83547 hours remaining, 209.375000 MB of memory in use. ENERGY: 1667600 736.5470 2104.8657 1959.1284 110.8846 -206234.7385 17993.4621 0.0000 0.0000 34131.4617 -149198.3890 298.0785 -183329.8507 -149101.8975 299.4681 123.0753 158.4640 558036.7231 -0.8216 -0.8218 PRESSURE: 1667800 154.813 -143.977 -123.141 -143.978 -42.6144 38.964 -123.142 38.9646 -163.294 GPRESSURE: 1667800 217.085 -154.686 -75.226 -125.888 -15.3822 44.109 -91.9286 92.4315 -153.1 PRESSAVG: 1667800 51.4652 -43.8888 -11.963 -43.8889 -8.0258 25.7613 -11.9631 25.7613 -30.0911 GPRESSAVG: 1667800 52.6422 -43.2807 -9.04418 -44.9052 -7.49986 27.0679 -13.3979 24.7068 -31.2248 TIMING: 1667800 CPU: 5028.65, 0.00306542/step Wall: 5028.65, 0.00306542/step, 2.83739 hours remaining, 209.375000 MB of memory in use. ENERGY: 1667800 733.2720 2144.0674 1958.7170 112.9802 -206041.9771 17771.8399 0.0000 0.0000 34029.9601 -149291.1404 297.1921 -183321.1005 -149201.7471 299.7173 -17.0318 16.2011 557624.1078 4.4494 4.6392 PRESSURE: 1668000 -243.624 12.4206 -140.182 12.4196 -153.519 55.5669 -140.183 55.5664 58.696 GPRESSURE: 1668000 -274.341 -4.86047 -218.293 -46.8951 -117.297 39.7191 -111.428 50.1282 153.33 PRESSAVG: 1668000 -60.641 20.0027 -1.08291 20.0027 53.7376 12.2447 -1.08288 12.2447 -1.63533 GPRESSAVG: 1668000 -61.3718 21.0724 -1.94076 19.6817 53.0394 8.66938 -0.509971 15.2952 -0.122208 TIMING: 1668000 CPU: 5029.26, 0.0030478/step Wall: 5029.26, 0.0030478/step, 2.82091 hours remaining, 209.375000 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: 1668000 731.7539 2193.5242 1918.8242 123.5450 -206180.8541 17745.7223 0.0000 0.0000 34223.8337 -149243.6507 298.8853 -183467.4844 -149146.6238 298.8114 -112.8158 -79.4362 560203.7869 -2.8462 -2.8182 PRESSURE: 1668200 -208.194 -90.7168 -5.62816 -90.7164 -10.6672 -27.3406 -5.62799 -27.3406 129.372 GPRESSURE: 1668200 -133.674 -160.261 -28.0163 -46.059 49.8069 -46.1208 63.9666 -18.4598 109.029 PRESSAVG: 1668200 -39.0577 -19.3426 36.4838 -19.3427 -24.4479 30.036 36.4837 30.0359 84.6304 GPRESSAVG: 1668200 -39.0387 -20.9133 35.3003 -19.0246 -24.9275 33.0659 37.0456 28.9462 85.0288 TIMING: 1668200 CPU: 5029.88, 0.00306047/step Wall: 5029.88, 0.00306047/step, 2.83247 hours remaining, 209.375000 MB of memory in use. ENERGY: 1668200 765.9103 2083.7277 1929.9038 113.7492 -206159.6223 17723.2798 0.0000 0.0000 34198.7374 -149344.3141 298.6661 -183543.0515 -149254.7341 299.0576 -29.8297 8.3871 556704.2923 7.0416 7.0208 LDB: ============= START OF LOAD BALANCING ============== 5033.4 LDB: ============== END OF LOAD BALANCING =============== 5033.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5033.4 LDB: ============= START OF LOAD BALANCING ============== 5033.71 LDB: Largest compute 4800 load 0.032841 is 27.8% of average load 0.117956 LDB: Average compute 0.001727 is 1.5% of average load 0.117956 LDB: TIME 5033.71 LOAD: AVG 0.117956 MAX 0.221358 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.723 MB LDB: TIME 5033.71 LOAD: AVG 0.117956 MAX 0.221358 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.926 MB LDB: TIME 5033.71 LOAD: AVG 0.117956 MAX 0.221358 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.926 MB LDB: ============== END OF LOAD BALANCING =============== 5033.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5033.72 PRESSURE: 1668400 -7.31756 -57.2951 -13.3485 -57.2938 267.664 -59.7133 -13.3477 -59.713 257.77 GPRESSURE: 1668400 89.0996 -150.178 -67.3607 -36.8967 269.984 16.0559 -46.5569 -154.318 251.413 PRESSAVG: 1668400 -21.0878 8.57471 4.67923 8.57466 -22.6059 6.28325 4.67926 6.28327 31.4157 GPRESSAVG: 1668400 -21.0087 9.28279 5.27521 9.60169 -22.1951 4.33063 3.66346 5.23153 30.061 TIMING: 1668400 CPU: 5030.5, 0.00312799/step Wall: 5030.5, 0.00312799/step, 2.89478 hours remaining, 208.843750 MB of memory in use. ENERGY: 1668400 765.1945 2033.8247 1926.8784 113.6162 -206833.7136 18169.0589 0.0000 0.0000 34534.4450 -149290.6959 301.5979 -183825.1409 -149190.2745 298.0249 172.7053 203.4988 556780.5681 -4.0926 -4.3809 PRESSURE: 1668600 -194.239 147.948 132.659 147.948 35.1588 16.787 132.659 16.7853 295.156 GPRESSURE: 1668600 -142.168 171.198 157.059 108.621 116.25 49.0817 114.755 67.6846 256.414 PRESSAVG: 1668600 -29.438 -71.3051 -5.09777 -71.3051 8.65592 35.05 -5.09783 35.05 37.3025 GPRESSAVG: 1668600 -30.4751 -69.2053 -5.11176 -72.5419 10.31 35.6383 -3.28431 36.246 36.4133 TIMING: 1668600 CPU: 5031.12, 0.00308406/step Wall: 5031.12, 0.00308406/step, 2.85395 hours remaining, 209.101562 MB of memory in use. ENERGY: 1668600 772.3335 2101.0622 1952.3458 116.6558 -206423.1004 18018.8984 0.0000 0.0000 34200.2996 -149261.5050 298.6797 -183461.8046 -149169.8464 298.9341 45.3585 76.8319 557365.7831 5.5068 5.4161 PRESSURE: 1668800 26.5916 5.89921 82.7823 5.89993 -192.445 141.528 82.7823 141.529 126.566 GPRESSURE: 1668800 72.5053 59.9912 234.986 47.8323 -132.565 102.529 15.1528 147.403 115.535 PRESSAVG: 1668800 -20.7478 33.4502 47.1864 33.4503 -11.5965 48.901 47.1864 48.901 52.8566 GPRESSAVG: 1668800 -19.3367 31.8126 48.9777 32.7672 -14.0975 49.1598 44.2447 48.9912 53.4389 TIMING: 1668800 CPU: 5031.73, 0.00304248/step Wall: 5031.73, 0.00304248/step, 2.81531 hours remaining, 209.101562 MB of memory in use. ENERGY: 1668800 752.3399 2103.8415 1917.8635 112.7017 -206091.7292 17676.1302 0.0000 0.0000 34151.2039 -149377.6484 298.2510 -183528.8523 -149277.1108 298.7699 -13.0960 18.4916 557152.8192 6.8374 6.6682 PRESSURE: 1669000 346.234 28.09 11.5341 28.0898 32.5554 -38.0697 11.5354 -38.0685 -178.552 GPRESSURE: 1669000 370.377 86.9111 59.7353 11.3928 96.5804 -34.0402 -31.6629 28.0374 -171.192 PRESSAVG: 1669000 64.697 -15.2767 -22.5729 -15.2768 -53.6857 -41.636 -22.5729 -41.636 -50.8145 GPRESSAVG: 1669000 64.6298 -14.5978 -22.734 -13.9432 -53.9135 -41.1927 -21.7885 -41.6698 -50.2656 TIMING: 1669000 CPU: 5032.33, 0.00302983/step Wall: 5032.33, 0.00302983/step, 2.80343 hours remaining, 209.160156 MB of memory in use. ENERGY: 1669000 758.7043 2041.9854 1954.7897 105.7340 -206299.4155 17907.7140 0.0000 0.0000 34098.6743 -149431.8138 297.7922 -183530.4880 -149331.2394 298.7446 66.7457 98.5883 556443.9137 -13.2678 -13.1831 PRESSURE: 1669200 9.74128 -18.038 -21.5972 -18.0363 -31.3526 46.9962 -21.5977 46.9958 -197.753 GPRESSURE: 1669200 68.5973 76.905 -8.65642 41.2117 -32.9406 31.0357 -29.318 54.6248 -151.994 PRESSAVG: 1669200 78.2744 0.97702 -19.7805 0.977004 -50.9452 -7.27183 -19.7804 -7.27186 -20.5979 GPRESSAVG: 1669200 76.7683 1.30275 -20.9345 1.74983 -49.3031 -9.63572 -18.425 -5.77077 -20.3134 TIMING: 1669200 CPU: 5032.94, 0.0030498/step Wall: 5032.94, 0.0030498/step, 2.82175 hours remaining, 209.160156 MB of memory in use. ENERGY: 1669200 722.5794 2064.3579 1913.3931 123.2143 -206215.0056 17753.0871 0.0000 0.0000 34210.4356 -149427.9383 298.7682 -183638.3739 -149331.9076 298.2805 -73.1215 -38.7790 557511.1243 2.2438 2.3839 PRESSURE: 1669400 -78.2331 86.3392 35.8279 86.3388 102.005 -135.718 35.8274 -135.718 93.5782 GPRESSURE: 1669400 9.45788 144.642 -24.114 18.8717 70.9898 -88.611 22.4561 -182.672 125.98 PRESSAVG: 1669400 22.9957 46.3198 -50.5343 46.3199 -6.7253 -37.1026 -50.5342 -37.1027 -45.3688 GPRESSAVG: 1669400 24.1009 45.6172 -51.4819 46.8889 -8.20121 -35.5144 -50.6072 -40.0252 -45.8148 TIMING: 1669400 CPU: 5033.55, 0.00301865/step Wall: 5033.55, 0.00301865/step, 2.79275 hours remaining, 209.160156 MB of memory in use. ENERGY: 1669400 730.7333 2116.0075 1928.8387 103.4976 -206476.0174 17957.7295 0.0000 0.0000 34189.6448 -149449.5659 298.5867 -183639.2107 -149350.8884 298.7763 39.1166 68.8091 557680.5252 -9.6995 -9.9717 PRESSURE: 1669600 105.382 -85.0321 -168.546 -85.0318 -61.5471 -86.9638 -168.546 -86.962 17.2439 GPRESSURE: 1669600 104.653 -53.8122 -199.345 -45.7783 -2.63168 -61.1008 -131.072 -112.108 60.744 PRESSAVG: 1669600 -31.09 -6.61678 -47.3554 -6.6169 -33.674 -12.2949 -47.3554 -12.2948 95.6747 GPRESSAVG: 1669600 -31.0463 -5.38994 -48.9221 -7.29859 -32.794 -13.0703 -45.6627 -10.5909 95.3216 TIMING: 1669600 CPU: 5034.15, 0.00302479/step Wall: 5034.15, 0.00302479/step, 2.79826 hours remaining, 209.160156 MB of memory in use. ENERGY: 1669600 776.8122 2062.3180 1919.2572 116.4879 -206326.7658 17947.2912 0.0000 0.0000 34152.1660 -149352.4334 298.2594 -183504.5993 -149247.8082 298.2018 20.3596 54.2551 558887.7639 10.3036 10.4938 PRESSURE: 1669800 -185.403 21.5459 76.1924 21.5457 -167.01 -34.5799 76.1923 -34.5797 202.284 GPRESSURE: 1669800 -103.512 -6.18863 85.1002 5.83063 -144.995 -14.5738 54.438 -30.0689 196.449 PRESSAVG: 1669800 6.43063 13.0874 -16.7973 13.0875 -40.1369 13.1056 -16.7974 13.1056 20.1538 GPRESSAVG: 1669800 6.96726 11.8011 -16.8313 12.9248 -40.9899 14.0871 -17.9414 12.1694 20.4256 TIMING: 1669800 CPU: 5034.77, 0.00307781/step Wall: 5034.77, 0.00307781/step, 2.84714 hours remaining, 209.160156 MB of memory in use. ENERGY: 1669800 713.7874 2048.1275 1959.0481 127.2543 -206083.7658 17731.0888 0.0000 0.0000 33989.3727 -149515.0869 296.8376 -183504.4596 -149421.9355 297.7545 -50.0428 -17.3527 558417.6645 -4.5175 -4.5323 PRESSURE: 1670000 68.412 54.9799 53.2537 54.9812 -131.088 -261.069 53.2517 -261.069 243.077 GPRESSURE: 1670000 139.746 82.3169 42.4367 77.9329 -126.819 -220.145 44.429 -214.494 250.625 PRESSAVG: 1670000 -24.4682 -15.1307 19.0127 -15.1307 -50.6128 -61.0942 19.0126 -61.0941 55.4133 GPRESSAVG: 1670000 -24.1864 -14.6533 21.977 -15.8047 -49.5001 -60.7431 18.1615 -60.9631 54.2913 TIMING: 1670000 CPU: 5035.37, 0.00304216/step Wall: 5035.37, 0.00304216/step, 2.814 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: 1670000 747.1889 2091.2455 1930.7721 100.4450 -206632.8088 18039.3938 0.0000 0.0000 34017.9967 -149705.7669 297.0876 -183723.7635 -149609.6404 298.2418 60.1336 87.8504 558813.7656 -6.5559 -6.4651 PRESSURE: 1670200 37.5823 -12.0813 -11.6347 -12.0809 60.4055 29.0067 -11.6348 29.0063 -95.711 GPRESSURE: 1670200 81.4583 26.4118 -17.2668 25.3683 73.177 13.5239 -46.9356 61.5094 -44.13 PRESSAVG: 1670200 18.4364 -1.82891 2.48737 -1.829 -29.204 -15.087 2.48738 -15.0869 27.7022 GPRESSAVG: 1670200 17.935 -2.98862 1.55488 -1.9476 -28.2823 -14.5548 1.08975 -16.59 27.8221 TIMING: 1670200 CPU: 5035.98, 0.00303788/step Wall: 5035.98, 0.00303788/step, 2.80987 hours remaining, 209.160156 MB of memory in use. ENERGY: 1670200 745.5196 2074.5190 1921.3751 100.0518 -206551.8620 17955.8471 0.0000 0.0000 34216.8322 -149537.7172 298.8241 -183754.5494 -149439.5724 297.5603 0.7589 36.8351 557164.6851 5.6449 5.8249 PRESSURE: 1670400 -59.1384 98.0215 38.1393 98.0213 -41.6458 -34.0022 38.1394 -33.9999 -81.8681 GPRESSURE: 1670400 -49.893 182.57 40.9171 35.9784 -11.665 -118.475 -23.7333 -32.6057 -29.5249 PRESSAVG: 1670400 -44.8635 47.3541 15.4399 47.354 -68.728 11.0561 15.4399 11.0561 91.6737 GPRESSAVG: 1670400 -45.766 46.5457 12.9334 48.4864 -68.9956 10.0797 18.1576 12.4042 92.2158 TIMING: 1670400 CPU: 5036.58, 0.0029714/step Wall: 5036.58, 0.0029714/step, 2.74821 hours remaining, 209.160156 MB of memory in use. ENERGY: 1670400 743.4856 2117.7448 1924.7173 118.3045 -206239.0928 17799.7021 0.0000 0.0000 34088.4580 -149446.6806 297.7030 -183535.1386 -149353.8668 298.5130 -60.8841 -30.3609 557739.8427 -7.3059 -7.5153 PRESSURE: 1670600 -127.864 12.6837 -31.5665 12.683 150.675 -73.0615 -31.5661 -73.0606 49.4504 GPRESSURE: 1670600 -169.871 25.6069 -146.281 -44.2134 207.317 -75.352 -6.94245 -123.856 122.485 PRESSAVG: 1670600 29.2687 20.6311 -15.7895 20.631 64.2803 -28.3596 -15.7894 -28.3596 -54.0803 GPRESSAVG: 1670600 29.467 22.0226 -13.3695 20.5841 63.435 -27.6744 -16.1524 -28.2085 -54.1626 TIMING: 1670600 CPU: 5037.17, 0.00298927/step Wall: 5037.17, 0.00298927/step, 2.76458 hours remaining, 209.160156 MB of memory in use. ENERGY: 1670600 716.6945 2103.8382 1923.5907 107.5597 -206350.9428 17926.9296 0.0000 0.0000 34004.3085 -149568.0215 296.9681 -183572.3300 -149465.4289 298.7986 24.0872 53.3102 558838.0974 13.1562 12.9131 PRESSURE: 1670800 -40.4135 -138.662 -57.2936 -138.663 11.6663 37.5218 -57.2934 37.5211 125.005 GPRESSURE: 1670800 -40.7899 -158.783 -109.266 -74.3683 114.545 -2.56444 -66.4919 35.447 112.179 PRESSAVG: 1670800 42.6848 -32.9571 -34.9796 -32.9571 19.0296 20.349 -34.9795 20.349 -67.1047 GPRESSAVG: 1670800 42.9392 -33.875 -36.2317 -32.2192 18.687 20.8671 -33.8271 19.9268 -66.8442 TIMING: 1670800 CPU: 5037.78, 0.00301881/step Wall: 5037.78, 0.00301881/step, 2.79173 hours remaining, 209.160156 MB of memory in use. ENERGY: 1670800 733.3237 2157.7442 1925.3735 108.2832 -206947.1640 18070.2789 0.0000 0.0000 34372.5065 -149579.6541 300.1836 -183952.1606 -149484.5871 298.6272 32.0859 61.9779 557390.1938 -1.7968 -1.7393 PRESSURE: 1671000 -14.7251 114.819 -65.9176 114.819 84.3911 -1.75096 -65.9178 -1.74988 -117.991 GPRESSURE: 1671000 61.277 107.038 -36.9972 104.237 62.8125 -9.87199 -61.7307 28.2691 -79.5053 PRESSAVG: 1671000 3.90991 54.4954 44.7163 54.4955 58.4592 -29.0114 44.7163 -29.0113 -32.213 GPRESSAVG: 1671000 3.66265 54.2593 46.8122 54.4432 58.6496 -29.1493 43.3497 -28.0219 -31.3822 TIMING: 1671000 CPU: 5038.39, 0.00305404/step Wall: 5038.39, 0.00305404/step, 2.82414 hours remaining, 209.160156 MB of memory in use. ENERGY: 1671000 800.0189 2093.2822 1934.0804 115.7640 -206577.9319 18017.8761 0.0000 0.0000 34135.4704 -149481.4398 298.1136 -183616.9103 -149384.5729 298.6732 -16.1083 14.8614 557733.9554 10.0521 10.3100 PRESSURE: 1671200 -47.2421 127.311 -2.08274 127.312 144.133 -28.6381 -2.08195 -28.6379 -196.971 GPRESSURE: 1671200 -1.59268 59.3233 -26.6782 15.589 114.182 -46.0658 -66.5666 -20.2976 -112.766 PRESSAVG: 1671200 30.0315 -20.3313 61.0007 -20.3311 9.61532 -27.6865 61.0006 -27.6866 -10.2961 GPRESSAVG: 1671200 31.1046 -19.1113 58.4422 -21.3557 8.73737 -27.1439 62.2783 -29.65 -10.6115 TIMING: 1671200 CPU: 5039, 0.00304661/step Wall: 5039, 0.00304661/step, 2.8171 hours remaining, 209.160156 MB of memory in use. ENERGY: 1671200 730.9109 2075.5087 1928.6609 110.1761 -206190.7535 17733.7018 0.0000 0.0000 34072.0693 -149539.7258 297.5599 -183611.7951 -149447.5696 298.1023 -33.3600 -0.0588 555272.4681 9.7836 9.7435 PRESSURE: 1671400 270.676 132.464 50.3777 132.464 -78.3122 -33.1519 50.378 -33.1516 214.773 GPRESSURE: 1671400 295.991 80.1863 78.9095 149.036 -20.3747 15.7526 48.4207 -114.3 229.065 PRESSAVG: 1671400 -49.1739 44.4153 145.611 44.4152 -8.07869 -24.4635 145.611 -24.4635 12.3761 GPRESSAVG: 1671400 -49.1751 42.944 147.169 44.0679 -7.33057 -25.795 143.334 -21.7804 11.7024 TIMING: 1671400 CPU: 5039.6, 0.00299569/step Wall: 5039.6, 0.00299569/step, 2.76985 hours remaining, 209.160156 MB of memory in use. ENERGY: 1671400 734.4423 2057.5173 1932.2632 112.4952 -206708.8799 18110.2664 0.0000 0.0000 34086.1714 -149675.7240 297.6830 -183761.8954 -149578.6607 297.8937 135.7122 168.2271 555515.4955 -14.9588 -14.9344 PRESSURE: 1671600 -214.391 19.7252 -75.2175 19.7263 -345.968 141.971 -75.2174 141.973 -251.543 GPRESSURE: 1671600 -176.886 -24.5435 -63.3303 70.4782 -282.983 209.887 -93.4894 149.689 -262.559 PRESSAVG: 1671600 -22.0571 42.4172 53.5475 42.4171 -13.155 39.8265 53.5473 39.8266 16.2296 GPRESSAVG: 1671600 -21.717 42.5273 53.9265 43.1421 -13.9625 41.9457 51.7192 38.631 17.109 TIMING: 1671600 CPU: 5040.2, 0.00301509/step Wall: 5040.2, 0.00301509/step, 2.78762 hours remaining, 209.160156 MB of memory in use. ENERGY: 1671600 769.0393 2128.0607 1918.4455 108.7455 -205933.7272 17422.5326 0.0000 0.0000 34175.0637 -149411.8398 298.4593 -183586.9035 -149320.2900 297.6582 -270.6342 -240.8095 555959.1524 -6.3275 -6.1902 PRESSURE: 1671800 -185.858 112.34 -38.9884 112.34 -123.044 124.226 -38.9881 124.226 -427.582 GPRESSURE: 1671800 -165.894 150.055 -78.1446 92.3454 -73.2765 122.728 29.6531 153.982 -399.465 PRESSAVG: 1671800 14.3043 42.324 10.3241 42.324 -14.9846 28.6507 10.3241 28.6506 -0.507719 GPRESSAVG: 1671800 14.5998 41.5398 11.4277 43.4375 -14.0942 29.221 12.1937 25.8615 -2.17039 TIMING: 1671800 CPU: 5040.8, 0.00299818/step Wall: 5040.8, 0.00299818/step, 2.77182 hours remaining, 209.160156 MB of memory in use. ENERGY: 1671800 755.2516 2100.1756 1927.9099 112.6864 -206093.5323 17607.5311 0.0000 0.0000 34191.8780 -149398.0995 298.6062 -183589.9776 -149295.3837 298.0717 -245.4948 -212.8786 557439.6740 -0.3960 -0.5549 PRESSURE: 1672000 -132.849 110.982 83.9276 110.982 -14.4939 -88.9106 83.9283 -88.9103 -422.201 GPRESSURE: 1672000 -138.719 108.794 82.6566 60.6736 5.11413 -96.8582 103.988 -151.978 -343.529 PRESSAVG: 1672000 8.75447 10.5923 68.7198 10.5923 62.063 77.4342 68.7198 77.4341 -47.4236 GPRESSAVG: 1672000 8.06007 8.69033 66.5735 12.6186 61.7423 73.2726 70.365 81.6584 -46.2289 TIMING: 1672000 CPU: 5041.4, 0.00298752/step Wall: 5041.4, 0.00298752/step, 2.76179 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: 1672000 737.4015 2075.8772 1947.0503 110.1257 -206097.5206 17531.5423 0.0000 0.0000 34316.2651 -149379.2585 299.6925 -183695.5236 -149286.7561 298.7306 -189.8478 -159.0447 557894.0356 7.7980 7.8578 PRESSURE: 1672200 57.9075 -110.37 102.909 -110.371 36.4792 -25.5621 102.91 -25.5626 -212.916 GPRESSURE: 1672200 149.055 -129.142 145.28 -132.255 11.193 -73.6908 8.66347 69.9017 -174.901 PRESSAVG: 1672200 45.7412 -21.9798 19.952 -21.9798 -4.23146 76.5271 19.9519 76.527 -68.5635 GPRESSAVG: 1672200 46.7449 -19.8051 20.4522 -25.1142 -4.38461 76.5179 17.9416 74.5382 -69.9967 TIMING: 1672200 CPU: 5042, 0.00301121/step Wall: 5042, 0.00301121/step, 2.78353 hours remaining, 209.160156 MB of memory in use. ENERGY: 1672200 759.9091 2095.9365 1918.9060 112.2845 -206384.4162 18013.4317 0.0000 0.0000 34007.4389 -149476.5094 296.9954 -183483.9483 -149375.6614 298.9056 -39.5096 -4.8843 557252.2056 -9.0179 -9.2121 LDB: ============= START OF LOAD BALANCING ============== 5045.52 LDB: ============== END OF LOAD BALANCING =============== 5045.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5045.52 LDB: ============= START OF LOAD BALANCING ============== 5045.82 LDB: Largest compute 4800 load 0.031665 is 26.8% of average load 0.118010 LDB: Average compute 0.001729 is 1.5% of average load 0.118010 LDB: TIME 5045.83 LOAD: AVG 0.11801 MAX 0.219176 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.941 MB LDB: TIME 5045.83 LOAD: AVG 0.11801 MAX 0.219176 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.148 MB LDB: TIME 5045.83 LOAD: AVG 0.11801 MAX 0.219176 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.148 MB LDB: ============== END OF LOAD BALANCING =============== 5045.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5045.83 PRESSURE: 1672400 -141.802 -10.3004 -78.4039 -10.3007 19.6685 -154.484 -78.4049 -154.484 86.6991 GPRESSURE: 1672400 -100.455 30.2271 -41.517 2.25106 27.6512 -173 -100.048 -40.675 123.79 PRESSAVG: 1672400 -18.4174 -24.8079 10.3922 -24.8077 48.1706 72.2744 10.3923 72.2744 -68.1457 GPRESSAVG: 1672400 -18.7675 -24.3047 11.0948 -26.0411 48.471 74.8247 10.3413 70.8103 -67.8768 TIMING: 1672400 CPU: 5042.62, 0.00308044/step Wall: 5042.62, 0.00308044/step, 2.84736 hours remaining, 207.246094 MB of memory in use. ENERGY: 1672400 730.4433 2092.0179 1947.0062 125.6801 -206217.5041 17829.4663 0.0000 0.0000 34066.4049 -149426.4853 297.5104 -183492.8902 -149326.6382 298.7202 -11.8114 16.9955 557680.4489 -12.7975 -12.7245 PRESSURE: 1672600 97.6919 7.98806 150.26 7.98759 64.8922 128.304 150.261 128.304 -254.128 GPRESSURE: 1672600 121.459 -46.8396 136.71 34.097 80.3156 84.524 101.445 112.406 -199.3 PRESSAVG: 1672600 90.8397 -2.19134 43.1458 -2.19137 3.64069 17.3965 43.1459 17.3965 -48.8766 GPRESSAVG: 1672600 91.2151 -2.44893 43.9836 -0.825745 2.87888 16.1831 44.0282 19.2819 -48.4129 TIMING: 1672600 CPU: 5043.22, 0.00302135/step Wall: 5043.22, 0.00302135/step, 2.79257 hours remaining, 207.707031 MB of memory in use. ENERGY: 1672600 713.7488 2140.1480 1922.0565 106.9646 -206228.1578 17715.2676 0.0000 0.0000 34216.4530 -149413.5194 298.8208 -183629.9724 -149315.4784 299.0151 -30.5145 0.8250 556976.6329 15.2013 15.2270 PRESSURE: 1672800 115.153 -109.619 -34.3615 -109.619 24.0978 -113.6 -34.3618 -113.6 200.153 GPRESSURE: 1672800 139.225 -88.2202 -43.0436 -104.712 33.0679 -141.628 -80.8355 -65.7413 250.863 PRESSAVG: 1672800 -7.68083 -28.5024 -30.5321 -28.5023 45.1188 29.48 -30.5321 29.4799 -18.0481 GPRESSAVG: 1672800 -7.3273 -29.0684 -30.5202 -27.3487 44.553 28.1596 -28.6661 29.3357 -18.1108 TIMING: 1672800 CPU: 5043.82, 0.00301538/step Wall: 5043.82, 0.00301538/step, 2.78688 hours remaining, 207.707031 MB of memory in use. ENERGY: 1672800 723.8080 2109.7815 1936.1519 114.2314 -206174.1291 17849.5628 0.0000 0.0000 34125.9565 -149314.6371 298.0305 -183440.5936 -149226.6187 299.3583 113.1346 141.0517 557083.4828 6.4633 6.3716 PRESSURE: 1673000 64.994 -116.662 -97.489 -116.663 -423.952 40.7163 -97.4892 40.7164 -464.921 GPRESSURE: 1673000 75.8814 -172.163 -65.2518 -50.5023 -400.719 -16.4288 19.7815 142.539 -413.396 PRESSAVG: 1673000 45.8626 27.969 4.37165 27.9689 -25.2567 37.4202 4.37166 37.4203 -33.2699 GPRESSAVG: 1673000 44.6395 27.6071 2.34689 26.9303 -24.4963 38.097 2.74556 36.7106 -33.022 TIMING: 1673000 CPU: 5044.43, 0.00303876/step Wall: 5044.43, 0.00303876/step, 2.80832 hours remaining, 207.707031 MB of memory in use. ENERGY: 1673000 797.4547 2075.5497 1944.4990 126.3633 -205835.6037 17626.5791 0.0000 0.0000 34198.5561 -149066.6019 298.6645 -183265.1580 -148972.7082 299.8738 -274.6263 -246.0778 558904.7245 -4.2213 -4.2929 PRESSURE: 1673200 -104.587 -164.123 146.95 -164.123 -124.243 -20.7024 146.949 -20.7005 -237.469 GPRESSURE: 1673200 -100.826 -132.247 129.186 -163.831 -81.1431 88.9491 73.1771 -70.1696 -180.363 PRESSAVG: 1673200 50.4977 19.3615 -0.439655 19.3614 -19.6521 -20.6646 -0.439633 -20.6645 -30.353 GPRESSAVG: 1673200 50.3218 20.981 1.21821 18.6922 -18.0625 -20.2014 -0.503793 -17.6653 -31.6681 TIMING: 1673200 CPU: 5045.03, 0.00301492/step Wall: 5045.03, 0.00301492/step, 2.78612 hours remaining, 207.707031 MB of memory in use. ENERGY: 1673200 774.7196 2112.6150 1951.9367 117.0126 -205917.9999 17481.0238 0.0000 0.0000 34377.8750 -149102.8171 300.2305 -183480.6922 -149007.0895 300.2605 -155.4332 -120.7772 556674.0704 0.1642 0.1971 PRESSURE: 1673400 -73.7786 76.0302 69.2787 76.0291 97.6988 -41.1185 69.2779 -41.1171 262.354 GPRESSURE: 1673400 -0.365201 117.209 140.832 32.6881 112.773 -37.488 109.92 -145.614 273.597 PRESSAVG: 1673400 17.2911 -19.4994 -5.63059 -19.4994 3.44903 85.448 -5.63057 85.4482 -33.9103 GPRESSAVG: 1673400 18.0383 -20.6821 -6.16964 -17.4853 2.23349 84.7873 -5.8004 84.5424 -33.3907 TIMING: 1673400 CPU: 5045.63, 0.00299601/step Wall: 5045.63, 0.00299601/step, 2.76848 hours remaining, 207.707031 MB of memory in use. ENERGY: 1673400 746.4593 2124.8573 1925.1450 112.9426 -206360.3714 17888.2270 0.0000 0.0000 34353.5912 -149209.1490 300.0185 -183562.7402 -149116.2741 299.4112 95.4248 128.6682 556550.8799 -4.3900 -4.3730 PRESSURE: 1673600 217.381 216.442 23.0954 216.441 91.8026 31.9121 23.0958 31.9125 127.873 GPRESSURE: 1673600 270.686 182.831 -102.662 253.117 135.391 58.2523 70.3246 -34.5345 138.768 PRESSAVG: 1673600 53.1855 38.971 36.2809 38.9709 -31.3804 30.028 36.2808 30.0279 21.0837 GPRESSAVG: 1673600 53.0384 39.832 38.845 38.4393 -31.6064 29.6607 37.7757 29.8071 21.5715 TIMING: 1673600 CPU: 5046.24, 0.00301708/step Wall: 5046.24, 0.00301708/step, 2.78778 hours remaining, 207.707031 MB of memory in use. ENERGY: 1673600 739.1195 2137.7997 1961.3502 120.8979 -206695.4671 17994.4761 0.0000 0.0000 34364.4958 -149377.3278 300.1137 -183741.8236 -149276.0604 299.4391 145.6853 181.6149 554792.4435 14.2963 14.3345 PRESSURE: 1673800 -15.2531 -133.276 -19.4384 -133.274 -310.761 48.4045 -19.4379 48.4021 -59.9174 GPRESSURE: 1673800 4.75365 -107.99 -12.4449 -93.7493 -293.566 100.495 -35.6374 22.0385 -5.55591 PRESSAVG: 1673800 -4.39204 52.7825 49.9389 52.7825 -17.5804 -17.5252 49.9389 -17.5252 18.0547 GPRESSAVG: 1673800 -5.06015 51.75 48.9804 53.8703 -17.4582 -16.2739 48.4065 -17.7841 18.6731 TIMING: 1673800 CPU: 5046.84, 0.00304091/step Wall: 5046.84, 0.00304091/step, 2.80963 hours remaining, 207.707031 MB of memory in use. ENERGY: 1673800 760.3619 2141.7166 1960.0503 122.8089 -206053.7895 17599.2252 0.0000 0.0000 34109.7620 -149359.8644 297.8890 -183469.6265 -149260.2906 298.7140 -128.6437 -98.1227 557454.9961 -1.3059 -1.2818 PRESSURE: 1674000 30.6915 -119.928 -120.945 -119.926 42.429 -70.3353 -120.945 -70.3339 37.3117 GPRESSURE: 1674000 88.6638 -110.949 -164.071 -10.2696 121.835 -35.8468 -165.057 -19.9104 -1.04183 PRESSAVG: 1674000 30.4771 -17.3994 29.2077 -17.3995 -18.8165 -1.29595 29.2078 -1.29579 -13.5284 GPRESSAVG: 1674000 31.1749 -16.2023 28.9006 -19.3157 -18.0351 -2.10174 29.5419 -0.265141 -14.907 TIMING: 1674000 CPU: 5047.46, 0.00305747/step Wall: 5047.46, 0.00305747/step, 2.82476 hours remaining, 207.707031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1674000 739.7520 2111.3277 1926.1592 116.4480 -206106.7977 17765.5923 0.0000 0.0000 34229.6765 -149217.8420 298.9363 -183447.5185 -149119.5901 298.9321 36.8107 69.8191 556385.8387 -0.6226 -0.5891 PRESSURE: 1674200 -135.306 152.218 109.671 152.217 -46.0883 110.977 109.672 110.977 -419.662 GPRESSURE: 1674200 -99.6863 85.205 130.492 96.4579 -10.99 124.913 96.2488 -34.9669 -387.124 PRESSAVG: 1674200 75.5628 46.693 21.4737 46.693 22.9685 -17.4745 21.4736 -17.4746 -71.8004 GPRESSAVG: 1674200 74.4411 44.6618 20.0129 48.2736 22.469 -17.2452 21.5317 -19.1888 -70.3464 TIMING: 1674200 CPU: 5048.07, 0.00306044/step Wall: 5048.07, 0.00306044/step, 2.82734 hours remaining, 207.777344 MB of memory in use. ENERGY: 1674200 721.1547 2114.3792 1926.3955 127.6967 -205729.4088 17335.1598 0.0000 0.0000 34358.1375 -149146.4852 300.0582 -183504.6227 -149047.6722 299.3624 -200.3519 -165.9333 557319.7643 8.9103 8.8546 PRESSURE: 1674400 54.0109 -175.28 -120.843 -175.28 244.846 -46.9323 -120.843 -46.9319 65.9026 GPRESSURE: 1674400 15.787 -200.189 -165.84 -89.3691 318.551 -104.963 -94.2194 3.4543 125.422 PRESSAVG: 1674400 -1.66637 52.2328 58.1027 52.2328 49.5864 -24.7334 58.1027 -24.7333 -39.1226 GPRESSAVG: 1674400 -0.217089 53.318 57.3642 50.2395 49.1054 -25.3337 59.2638 -24.2378 -40.2722 TIMING: 1674400 CPU: 5048.67, 0.00302134/step Wall: 5048.67, 0.00302134/step, 2.79105 hours remaining, 207.777344 MB of memory in use. ENERGY: 1674400 724.8747 2164.8569 1903.9778 114.0599 -206098.2501 17741.7996 0.0000 0.0000 34339.2296 -149109.4516 299.8930 -183448.6812 -149017.4458 299.5784 121.5864 153.2534 556673.8026 2.9325 2.8720 PRESSURE: 1674600 82.9562 4.02643 76.4089 4.02691 -19.6017 17.1112 76.4089 17.111 38.1974 GPRESSURE: 1674600 140.783 27.8164 36.026 -26.3346 20.5046 18.7427 81.804 -0.263093 43.0198 PRESSAVG: 1674600 -6.15043 30.6578 20.2033 30.6578 10.3172 20.6766 20.2034 20.6767 28.9443 GPRESSAVG: 1674600 -5.34717 31.5854 18.7635 29.1966 8.72519 22.1179 20.7938 19.4711 29.8117 TIMING: 1674600 CPU: 5049.28, 0.00303001/step Wall: 5049.28, 0.00303001/step, 2.79889 hours remaining, 207.777344 MB of memory in use. ENERGY: 1674600 751.2883 2095.1524 1947.2985 102.5058 -206329.1815 17957.2894 0.0000 0.0000 34389.7399 -149085.9073 300.3342 -183475.6472 -148984.0430 299.8599 33.8506 68.1025 555418.2497 11.0370 11.0632 PRESSURE: 1674800 -256.75 -11.3531 7.09954 -11.3524 -199.102 12.05 7.09882 12.0511 -163.014 GPRESSURE: 1674800 -223.377 20.1528 -22.2233 -72.9504 -142.686 37.1202 20.5916 60.9124 -153.537 PRESSAVG: 1674800 -27.6252 3.74704 -9.43853 3.74709 22.763 22.5046 -9.43844 22.5046 -13.8409 GPRESSAVG: 1674800 -30.0038 0.246901 -5.49659 5.67987 24.5045 22.8523 -11.2277 24.4964 -13.187 TIMING: 1674800 CPU: 5049.88, 0.00301318/step Wall: 5049.88, 0.00301318/step, 2.78318 hours remaining, 207.777344 MB of memory in use. ENERGY: 1674800 795.7626 2120.4621 1905.0667 118.0547 -205731.0891 17392.8830 0.0000 0.0000 34506.2983 -148892.5617 301.3521 -183398.8600 -148796.0486 300.1179 -206.2887 -173.1998 556784.9075 -6.2344 -6.2288 PRESSURE: 1675000 -330.583 45.8551 78.6754 45.8542 -220.55 34.7664 78.675 34.7659 47.8302 GPRESSURE: 1675000 -350.587 85.1112 132.687 70.3988 -180.715 91.2055 27.8032 5.70648 131.423 PRESSAVG: 1675000 -10.7284 -32.5252 -9.10604 -32.5252 35.1143 47.7687 -9.10608 47.7688 -19.9502 GPRESSAVG: 1675000 -9.12431 -29.6491 -10.4352 -31.4417 33.3992 47.2052 -9.73263 43.9738 -19.7821 TIMING: 1675000 CPU: 5050.48, 0.00301295/step Wall: 5050.48, 0.00301295/step, 2.78279 hours remaining, 207.777344 MB of memory in use. ENERGY: 1675000 785.4192 2094.0209 1932.1102 112.1807 -205827.6061 17635.3946 0.0000 0.0000 34497.7592 -148770.7214 301.2775 -183268.4805 -148674.6906 301.0585 -167.7673 -133.2933 555496.8298 1.4786 1.4976 PRESSURE: 1675200 -44.2108 -136.643 -104.913 -136.645 -32.0124 13.1634 -104.912 13.1652 -86.574 GPRESSURE: 1675200 37.4958 -167.716 -59.712 -163.444 -64.3876 -33.8795 -89.6779 65.7675 -37.0836 PRESSAVG: 1675200 18.7888 -59.6175 79.5892 -59.6174 -20.6897 51.8458 79.5892 51.8456 16.4412 GPRESSAVG: 1675200 18.683 -58.4353 78.5126 -62.7869 -20.4732 50.6345 80.474 52.415 17.2241 TIMING: 1675200 CPU: 5051.08, 0.00299181/step Wall: 5051.08, 0.00299181/step, 2.7631 hours remaining, 207.777344 MB of memory in use. ENERGY: 1675200 783.5155 2130.3519 1932.4252 110.3677 -205615.5299 17493.6868 0.0000 0.0000 34462.0696 -148703.1132 300.9658 -183165.1829 -148604.5536 300.4841 -54.2657 -21.3251 555616.7739 4.8468 5.1446 PRESSURE: 1675400 133.978 -108.46 108.007 -108.462 -10.3375 -52.6674 108.007 -52.6675 380.38 GPRESSURE: 1675400 182.9 -87.4961 116.168 -65.1905 57.4876 -14.0866 122.051 -116.322 366.292 PRESSAVG: 1675400 6.69683 19.7845 -4.92183 19.7844 -23.866 14.8595 -4.92186 14.8595 -19.2502 GPRESSAVG: 1675400 7.31651 18.1708 -3.26063 22.2093 -23.3488 14.0739 -3.34436 16.7948 -21.1466 TIMING: 1675400 CPU: 5051.68, 0.00300488/step Wall: 5051.68, 0.00300488/step, 2.77501 hours remaining, 207.777344 MB of memory in use. ENERGY: 1675400 729.2644 2134.8225 1926.0208 114.9882 -206109.4228 17983.5769 0.0000 0.0000 34492.1044 -148728.6456 301.2281 -183220.7500 -148631.3166 301.4440 168.0065 202.2265 555609.0900 -12.1398 -12.3930 PRESSURE: 1675600 -404.412 -133.341 56.2448 -133.34 -230.65 57.4515 56.245 57.453 -213.759 GPRESSURE: 1675600 -376.156 -103.127 95.6294 -92.4167 -190.204 57.6077 59.7642 56.4485 -192.677 PRESSAVG: 1675600 -57.0453 -35.7699 -3.58954 -35.7698 81.9343 -14.6722 -3.58953 -14.6722 -10.0476 GPRESSAVG: 1675600 -57.74 -36.4814 -3.78848 -34.2101 81.6622 -13.5372 -3.5754 -14.0132 -8.509 TIMING: 1675600 CPU: 5052.28, 0.00298237/step Wall: 5052.28, 0.00298237/step, 2.75406 hours remaining, 207.777344 MB of memory in use. ENERGY: 1675600 715.6614 2084.6820 1928.9895 115.6361 -205567.5560 17289.9632 0.0000 0.0000 34720.1255 -148712.4982 303.2195 -183432.6237 -148609.7500 301.3534 -282.9401 -253.0126 556808.1748 4.9471 5.1377 PRESSURE: 1675800 -291.802 -94.8365 -105.406 -94.8368 -112.098 25.5046 -105.405 25.5047 39.5134 GPRESSURE: 1675800 -227.02 -114.623 -100.128 -68.6595 -110.566 89.9732 -166.216 65.5163 67.616 PRESSAVG: 1675800 -43.4476 59.5882 30.6287 59.5882 -18.551 -0.109959 30.6288 -0.110027 40.6362 GPRESSAVG: 1675800 -43.3836 60.768 29.0123 57.0163 -19.1115 0.65527 30.4209 -1.46143 40.8722 TIMING: 1675800 CPU: 5052.88, 0.00298103/step Wall: 5052.88, 0.00298103/step, 2.75265 hours remaining, 207.777344 MB of memory in use. ENERGY: 1675800 728.9685 2061.8424 1916.0719 105.3673 -205509.1987 17428.2493 0.0000 0.0000 34258.1915 -149010.5078 299.1853 -183268.6994 -148902.2348 300.2846 -121.4624 -89.9899 557544.2468 -7.1208 -7.2077 PRESSURE: 1676000 -90.6415 12.3973 -141.321 12.3971 132.209 -4.94654 -141.32 -4.94714 275.003 GPRESSURE: 1676000 -71.631 32.3282 -74.3812 87.7173 195.193 -116.862 -154 99.8041 295.204 PRESSAVG: 1676000 -43.1161 -49.7387 2.40013 -49.7387 9.42921 39.1054 2.40009 39.1054 25.1138 GPRESSAVG: 1676000 -42.7483 -49.7875 3.90643 -50.269 10.3633 37.0097 -0.871088 39.9518 23.8817 TIMING: 1676000 CPU: 5053.48, 0.00301017/step Wall: 5053.48, 0.00301017/step, 2.77939 hours remaining, 207.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1676000 777.8516 2013.1346 1929.2327 102.6447 -206038.3179 17813.0044 0.0000 0.0000 34411.4686 -148990.9812 300.5239 -183402.4498 -148888.4435 300.2295 105.5236 139.5885 557016.3278 -2.8577 -2.8344 PRESSURE: 1676200 -129.761 -37.1292 -89.6656 -37.1309 -117.126 38.8505 -89.6663 38.85 -20.657 GPRESSURE: 1676200 -96.7898 -34.6468 -89.8729 -76.5873 -82.1073 -20.515 -51.5222 27.7038 2.64214 PRESSAVG: 1676200 30.0144 40.8749 12.2775 40.8749 -81.1179 44.0491 12.2775 44.049 62.6016 GPRESSAVG: 1676200 30.6609 40.6968 11.8278 42.9944 -81.1119 43.9681 14.9961 46.2742 62.3339 TIMING: 1676200 CPU: 5054.08, 0.00302996/step Wall: 5054.08, 0.00302996/step, 2.7975 hours remaining, 207.777344 MB of memory in use. ENERGY: 1676200 776.2717 2138.1833 1936.9735 100.4200 -205589.8593 17459.8918 0.0000 0.0000 34335.7484 -148842.3707 299.8626 -183178.1190 -148737.4202 300.0530 -89.1813 -58.7516 557858.5746 3.8327 3.9610 LDB: ============= START OF LOAD BALANCING ============== 5057.6 LDB: ============== END OF LOAD BALANCING =============== 5057.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5057.6 LDB: ============= START OF LOAD BALANCING ============== 5057.9 LDB: Largest compute 4800 load 0.031901 is 27.0% of average load 0.117957 LDB: Average compute 0.001735 is 1.5% of average load 0.117957 LDB: TIME 5057.91 LOAD: AVG 0.117957 MAX 0.213781 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.344 MB LDB: TIME 5057.91 LOAD: AVG 0.117957 MAX 0.213781 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.344 MB LDB: TIME 5057.91 LOAD: AVG 0.117957 MAX 0.213781 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.344 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5057.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5057.91 PRESSURE: 1676400 50.7133 18.6981 -68.3651 18.6971 -61.3669 45.5221 -68.365 45.5217 240.589 GPRESSURE: 1676400 123.193 -3.77498 -116.008 86.5343 -11.7409 131.24 -97.0911 -30.2742 219.079 PRESSAVG: 1676400 2.02348 66.4796 -19.5998 66.4796 -41.8398 56.9163 -19.5997 56.9162 50.1064 GPRESSAVG: 1676400 0.994571 65.7419 -18.3263 65.7225 -40.8804 58.2485 -20.9768 55.6656 50.118 TIMING: 1676400 CPU: 5054.7, 0.00306658/step Wall: 5054.7, 0.00306658/step, 2.83114 hours remaining, 209.554688 MB of memory in use. ENERGY: 1676400 745.0668 2181.8493 1941.6742 123.0669 -205627.9015 17680.0720 0.0000 0.0000 34243.9725 -148712.1997 299.0611 -182956.1722 -148621.3521 300.5564 76.6450 110.1770 559061.0950 3.4300 3.4107 PRESSURE: 1676600 18.0134 62.759 160.618 62.7607 17.3044 -7.91488 160.619 -7.91545 74.1135 GPRESSURE: 1676600 49.4647 10.8781 173.511 74.9583 97.8183 43.5979 144.043 -22.9568 68.5209 PRESSAVG: 1676600 -19.3894 4.11453 -11.148 4.11457 -45.5601 -14.6961 -11.148 -14.6961 50.4102 GPRESSAVG: 1676600 -18.8591 3.36675 -12.2658 5.25024 -46.2265 -14.011 -9.33964 -14.8573 50.6959 TIMING: 1676600 CPU: 5055.3, 0.00300414/step Wall: 5055.3, 0.00300414/step, 2.77332 hours remaining, 209.554688 MB of memory in use. ENERGY: 1676600 742.0673 2118.2720 1957.4471 108.7422 -205782.3764 17771.4399 0.0000 0.0000 34526.9326 -148557.4752 301.5323 -183084.4078 -148459.9379 300.8237 36.4771 71.9346 558167.6332 -4.8464 -4.7966 PRESSURE: 1676800 -32.7607 -11.8669 24.6597 -11.8673 99.3279 -71.8868 24.659 -71.886 276.026 GPRESSURE: 1676800 -15.6192 66.6374 8.36111 -97.2496 93.8301 -106.693 34.8932 -84.7299 351.803 PRESSAVG: 1676800 -25.2019 8.7093 29.6597 8.70933 5.98017 -20.3079 29.6597 -20.308 50.405 GPRESSAVG: 1676800 -24.1923 11.7929 30.0318 8.65222 5.24703 -20.3059 29.6725 -20.7645 50.1402 TIMING: 1676800 CPU: 5055.9, 0.00301713/step Wall: 5055.9, 0.00301713/step, 2.78515 hours remaining, 209.683594 MB of memory in use. ENERGY: 1676800 747.9567 2164.7316 1953.1844 112.0708 -206087.7789 17883.0672 0.0000 0.0000 34824.4120 -148402.3563 304.1303 -183226.7683 -148309.6494 301.8541 114.1976 143.3378 556995.5389 10.3944 10.3983 PRESSURE: 1677000 -46.5408 -125.168 -143.663 -125.169 -81.6044 -40.4537 -143.662 -40.4527 109.093 GPRESSURE: 1677000 -7.3183 -153.134 -123.036 -87.173 25.8486 -26.1533 -196.725 -73.6772 57.9058 PRESSAVG: 1677000 -95.0195 -7.05832 35.5963 -7.05836 62.328 12.8471 35.5963 12.847 54.227 GPRESSAVG: 1677000 -94.581 -8.34944 38.4407 -8.10402 61.9722 13.2016 34.4716 10.2752 54.9656 TIMING: 1677000 CPU: 5056.5, 0.00298981/step Wall: 5056.5, 0.00298981/step, 2.75976 hours remaining, 209.683594 MB of memory in use. ENERGY: 1677000 748.6701 2049.8971 1935.4524 117.4270 -205756.6406 17708.3677 0.0000 0.0000 34668.5876 -148528.2388 302.7694 -183196.8263 -148433.0352 302.0808 -6.3508 25.4787 558416.6940 7.1785 7.4523 PRESSURE: 1677200 45.5935 -9.70192 -114.378 -9.7017 -362.995 2.83066 -114.377 2.8319 -114.768 GPRESSURE: 1677200 31.7505 -77.5636 -102.25 -0.53686 -259.863 -8.84307 -113.887 53.7702 -115.875 PRESSAVG: 1677200 56.8637 -9.69968 -60.7088 -9.69964 -14.9998 25.7335 -60.7088 25.7336 32.954 GPRESSAVG: 1677200 56.0109 -8.92801 -63.3521 -9.60775 -13.5015 22.2722 -60.9091 29.1621 32.0717 TIMING: 1677200 CPU: 5057.1, 0.00298405/step Wall: 5057.1, 0.00298405/step, 2.75428 hours remaining, 209.820312 MB of memory in use. ENERGY: 1677200 803.8261 2123.6546 1931.7645 104.0064 -205857.1206 17655.6973 0.0000 0.0000 34657.2497 -148580.9221 302.6704 -183238.1717 -148484.1695 301.5987 -144.0566 -114.6628 557458.5341 24.9393 24.8603 PRESSURE: 1677400 -36.7121 24.484 -25.1958 24.4841 -119.367 52.2011 -25.1966 52.2027 -389.702 GPRESSURE: 1677400 -0.262486 62.5395 -31.891 13.0834 -85.1955 156.848 4.18802 -14.9243 -357.028 PRESSAVG: 1677400 12.9834 2.26809 -3.47373 2.26804 15.8409 37.3641 -3.47369 37.3642 -13.139 GPRESSAVG: 1677400 12.2852 0.649748 -2.12382 0.722237 14.9277 41.0825 -0.97388 36.3176 -11.9901 TIMING: 1677400 CPU: 5057.7, 0.00300674/step Wall: 5057.7, 0.00300674/step, 2.77505 hours remaining, 209.820312 MB of memory in use. ENERGY: 1677400 772.3589 2076.8270 1925.5608 116.0506 -205745.2036 17490.7716 0.0000 0.0000 34557.5434 -148806.0913 301.7996 -183363.6347 -148708.6915 301.1640 -181.9271 -147.4955 559606.4443 5.2284 5.0743 PRESSURE: 1677600 -133.486 -48.451 -222.544 -48.4521 129.537 128.909 -222.543 128.909 105.671 GPRESSURE: 1677600 -126.252 -36.7795 -46.5444 -6.76598 155.014 84.3737 -246.18 188.128 169.837 PRESSAVG: 1677600 -17.5124 3.98733 -8.17621 3.98741 54.5819 58.0988 -8.17623 58.0988 -64.3555 GPRESSAVG: 1677600 -17.8366 4.96424 -9.34321 4.85401 55.1777 57.6852 -10.9438 57.5199 -64.4895 TIMING: 1677600 CPU: 5058.3, 0.00300206/step Wall: 5058.3, 0.00300206/step, 2.77057 hours remaining, 209.820312 MB of memory in use. ENERGY: 1677600 771.9666 2067.3154 1951.9955 96.2730 -206411.0313 17880.5024 0.0000 0.0000 34642.3264 -149000.6521 302.5401 -183642.9784 -148898.6520 300.6072 33.9073 66.1997 556299.4670 -9.0953 -9.0495 PRESSURE: 1677800 -67.6655 158.824 25.9704 158.824 198.742 21.6176 25.9708 21.6166 278.829 GPRESSURE: 1677800 -6.27253 218.894 32.0977 126.13 252.911 38.882 45.8458 89.7002 277.612 PRESSAVG: 1677800 -57.219 -19.3288 -12.5274 -19.3289 11.6716 94.4649 -12.5273 94.4649 55.2742 GPRESSAVG: 1677800 -56.6196 -19.6158 -12.1184 -19.4922 11.5818 91.5424 -10.2826 95.3864 54.6991 TIMING: 1677800 CPU: 5058.9, 0.00301899/step Wall: 5058.9, 0.00301899/step, 2.78603 hours remaining, 209.820312 MB of memory in use. ENERGY: 1677800 737.5022 2085.1996 1944.9372 120.3578 -206152.1239 17830.3268 0.0000 0.0000 34498.1577 -148935.6426 301.2810 -183433.8003 -148836.7408 300.4784 136.6351 174.7503 555392.8232 3.2423 3.2204 PRESSURE: 1678000 -148.3 -112.278 293.483 -112.276 -45.9969 60.3696 293.484 60.3707 117.804 GPRESSURE: 1678000 -107.787 -117.934 436.661 -49.5713 3.14476 -19.668 262.301 135.24 109.269 PRESSAVG: 1678000 -58.535 29.1165 19.2128 29.1165 -15.9583 56.2518 19.2128 56.2518 60.4037 GPRESSAVG: 1678000 -58.3201 30.0932 21.0507 27.7109 -15.6042 59.7898 19.4174 54.9555 60.1735 TIMING: 1678000 CPU: 5059.5, 0.003006/step Wall: 5059.5, 0.003006/step, 2.77387 hours remaining, 209.820312 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: 1678000 784.5192 2098.6873 1922.2760 113.5100 -205927.3604 17658.4676 0.0000 0.0000 34364.0947 -148985.8056 300.1102 -183349.9003 -148882.6140 299.8083 -25.4975 1.5422 555280.2368 -4.6965 -4.5836 PRESSURE: 1678200 -23.5051 -116.608 -23.387 -116.608 -143.676 -147.474 -23.3853 -147.474 -101.802 GPRESSURE: 1678200 -38.0242 -133.809 -30.9579 4.91383 -57.1476 -103.764 9.75329 -96.4183 -68.0252 PRESSAVG: 1678200 28.3435 -44.8273 41.3041 -44.8273 36.381 41.728 41.3041 41.7279 -31.9974 GPRESSAVG: 1678200 28.0462 -46.4569 38.4421 -42.248 37.0891 41.5139 41.9982 43.2012 -32.2649 TIMING: 1678200 CPU: 5060.11, 0.00302395/step Wall: 5060.11, 0.00302395/step, 2.79027 hours remaining, 209.820312 MB of memory in use. ENERGY: 1678200 761.2544 2123.9851 1941.2286 110.5230 -205853.4172 17638.8409 0.0000 0.0000 34299.1818 -148978.4035 299.5433 -183277.5853 -148884.4293 300.2451 -89.6611 -54.3990 556515.4026 10.9090 10.9568 PRESSURE: 1678400 -50.0546 43.5853 -75.1337 43.5855 257.103 4.45332 -75.1333 4.45302 208.74 GPRESSURE: 1678400 58.64 -161.831 -122.811 94.6183 307.866 47.6647 -7.84784 -48.6411 149.044 PRESSAVG: 1678400 15.4872 58.5454 31.7285 58.5454 -9.68087 1.63827 31.7286 1.6382 -27.8493 GPRESSAVG: 1678400 15.7025 60.2858 33.0315 58.0993 -9.60778 -0.463389 31.3964 2.54551 -27.6339 TIMING: 1678400 CPU: 5060.71, 0.00301976/step Wall: 5060.71, 0.00301976/step, 2.78624 hours remaining, 209.820312 MB of memory in use. ENERGY: 1678400 721.6153 2112.2539 1921.2704 115.2562 -206246.0970 18035.7158 0.0000 0.0000 34350.0383 -148989.9472 299.9874 -183339.9855 -148892.2428 300.2519 138.5962 171.8499 558185.9729 -7.3477 -7.1797 PRESSURE: 1678600 -187.8 89.5018 -42.4067 89.5013 172.355 43.8393 -42.4063 43.8385 165.496 GPRESSURE: 1678600 -88.8254 74.8933 -61.4018 85.2055 152.589 6.56678 -19.5203 14.2992 185.334 PRESSAVG: 1678600 50.4233 0.685836 11.4105 0.68585 -14.0573 -25.7464 11.4105 -25.7463 -27.3168 GPRESSAVG: 1678600 50.8503 0.704767 10.8373 -0.422474 -14.8309 -25.7601 10.8177 -25.8113 -27.2437 TIMING: 1678600 CPU: 5061.32, 0.00304166/step Wall: 5061.32, 0.00304166/step, 2.80627 hours remaining, 209.820312 MB of memory in use. ENERGY: 1678600 753.0188 2143.5266 1943.3288 114.9053 -206055.7315 17861.2579 0.0000 0.0000 34303.7198 -148935.9742 299.5829 -183239.6940 -148841.1096 300.0743 50.0173 83.0325 557674.0952 3.0164 2.9252 PRESSURE: 1678800 -156.015 -82.0374 -119.65 -82.0377 -53.9566 12.4431 -119.651 12.4434 -19.37 GPRESSURE: 1678800 -84.229 -24.3964 -112.966 -90.3165 17.0743 18.163 -86.1925 17.5576 -60.494 PRESSAVG: 1678800 33.2291 13.5151 -86.7893 13.5151 -42.1545 -12.4433 -86.7893 -12.4433 59.8608 GPRESSAVG: 1678800 31.7374 13.6495 -85.1958 13.9213 -41.041 -11.7755 -87.3175 -12.7004 60.3685 TIMING: 1678800 CPU: 5061.92, 0.00302258/step Wall: 5061.92, 0.00302258/step, 2.78849 hours remaining, 209.820312 MB of memory in use. ENERGY: 1678800 758.5339 2132.6822 1933.3946 101.5887 -205271.8485 17631.1541 0.0000 0.0000 33991.3958 -148723.0991 296.8553 -182714.4949 -148626.0769 300.9707 -76.4473 -42.5496 560154.8784 16.9785 17.0216 PRESSURE: 1679000 -71.7829 -0.25048 261.652 -0.250966 -319.204 11.2692 261.652 11.2688 -297.267 GPRESSURE: 1679000 5.93299 -4.57056 247.51 65.2336 -317.905 39.5932 208.569 -54.207 -274.334 PRESSAVG: 1679000 -11.4977 7.81425 -17.9544 7.81421 -16.4509 -43.3885 -17.9543 -43.3886 -8.56884 GPRESSAVG: 1679000 -11.7466 7.8057 -18.2845 8.41517 -16.0464 -42.8105 -17.747 -44.7365 -8.64492 TIMING: 1679000 CPU: 5062.53, 0.00304683/step Wall: 5062.53, 0.00304683/step, 2.8107 hours remaining, 209.820312 MB of memory in use. ENERGY: 1679000 760.2183 2094.9598 1903.3409 115.4143 -205581.8622 17337.7684 0.0000 0.0000 34618.8797 -148751.2809 302.3353 -183370.1606 -148649.1415 300.3776 -229.4181 -195.4356 557946.2678 -12.1725 -12.1460 PRESSURE: 1679200 -120.639 67.3898 -75.7675 67.3885 -113.238 113.188 -75.7673 113.187 -264.403 GPRESSURE: 1679200 -66.3053 -25.6474 -69.445 62.6641 -128.213 153.319 -126.689 107.008 -211.034 PRESSAVG: 1679200 -7.19531 -46.5174 26.5196 -46.5174 62.5273 28.5102 26.5197 28.5101 -42.1612 GPRESSAVG: 1679200 -6.93869 -48.2581 26.549 -46.4456 61.4809 28.5806 26.071 29.4405 -41.3088 TIMING: 1679200 CPU: 5063.14, 0.00303378/step Wall: 5063.14, 0.00303378/step, 2.79849 hours remaining, 209.820312 MB of memory in use. ENERGY: 1679200 766.8261 2121.4752 1910.3079 110.5307 -205709.7782 17480.1476 0.0000 0.0000 34533.3226 -148787.1682 301.5881 -183320.4907 -148679.3171 300.6618 -166.0934 -135.1842 557489.7941 4.3903 4.4111 PRESSURE: 1679400 -28.4593 79.7186 -45.3408 79.7185 203.006 -33.4939 -45.3416 -33.4938 -167.141 GPRESSURE: 1679400 -3.57014 46.8428 -48.426 124.742 194.282 -49.0075 -79.544 18.9905 -78.4594 PRESSAVG: 1679400 -21.8309 -61.8157 1.3352 -61.8155 -48.1154 20.234 1.33526 20.234 45.3794 GPRESSAVG: 1679400 -21.8925 -60.3065 0.781424 -61.8435 -47.213 19.2538 3.34143 18.4325 44.6048 TIMING: 1679400 CPU: 5063.74, 0.00301109/step Wall: 5063.74, 0.00301109/step, 2.77739 hours remaining, 209.820312 MB of memory in use. ENERGY: 1679400 772.0652 2155.6307 1919.0286 107.7133 -205885.2008 17792.3676 0.0000 0.0000 34538.0900 -148600.3054 301.6297 -183138.3954 -148512.4426 301.6021 2.4685 37.4177 557101.5974 -8.1890 -8.1669 PRESSURE: 1679600 246.776 30.4496 169.223 30.449 17.5335 -10.0624 169.224 -10.0619 -257.674 GPRESSURE: 1679600 284.678 11.4207 204.621 -25.9422 99.6533 11.6075 136.368 -36.6281 -272.741 PRESSAVG: 1679600 -40.2717 2.72169 61.2321 2.72163 4.44276 33.0423 61.2321 33.0423 26.0043 GPRESSAVG: 1679600 -39.0293 2.80884 60.8765 1.3254 4.11307 34.4268 58.9991 33.8543 25.3114 TIMING: 1679600 CPU: 5064.34, 0.00298796/step Wall: 5064.34, 0.00298796/step, 2.7559 hours remaining, 209.820312 MB of memory in use. ENERGY: 1679600 742.1003 2100.2753 1950.5792 102.2063 -205862.0709 17852.6066 0.0000 0.0000 34469.0078 -148645.2953 301.0264 -183114.3031 -148550.3537 301.2697 2.2121 37.1969 558089.3596 -3.2749 -3.2016 PRESSURE: 1679800 130.002 24.9635 -60.3214 24.965 -159.997 -30.9508 -60.3216 -30.9492 -340.405 GPRESSURE: 1679800 166.345 60.9204 -48.3179 54.7404 -173.749 -29.2879 4.91493 36.9551 -262.842 PRESSAVG: 1679800 76.576 12.7326 27.9883 12.7326 22.2374 -2.56183 27.9882 -2.56182 -58.5244 GPRESSAVG: 1679800 75.0338 11.9587 29.2119 14.4221 23.5051 -4.31441 27.3504 -0.707203 -58.619 TIMING: 1679800 CPU: 5064.94, 0.00298588/step Wall: 5064.94, 0.00298588/step, 2.75381 hours remaining, 209.820312 MB of memory in use. ENERGY: 1679800 775.2565 2117.0185 1938.4773 112.5101 -205586.5645 17532.4948 0.0000 0.0000 34317.3964 -148793.4110 299.7024 -183110.8073 -148696.2967 300.8228 -123.4665 -90.0819 556357.0076 13.4297 13.3066 PRESSURE: 1680000 -34.8155 101.652 -12.2967 101.652 39.3297 9.94903 -12.2984 9.94764 -12.2554 GPRESSURE: 1680000 -32.4516 7.02438 -7.73349 193.343 83.4097 13.89 43.3003 -6.21279 45.8026 PRESSAVG: 1680000 0.652563 38.4054 -56.1787 38.4053 11.7815 1.39295 -56.1787 1.39315 -37.0861 GPRESSAVG: 1680000 0.950292 38.4873 -56.2847 38.1916 9.24615 1.42974 -55.6764 1.11235 -35.3593 TIMING: 1680000 CPU: 5065.53, 0.00298544/step Wall: 5065.53, 0.00298544/step, 2.75324 hours remaining, 209.820312 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: 1680000 684.5117 2135.6568 1948.9947 120.0714 -205685.1753 17601.0559 0.0000 0.0000 34422.0457 -148772.8390 300.6163 -183194.8847 -148678.8444 300.3480 -2.5804 32.2535 557903.7762 -8.2174 -8.3876 PRESSURE: 1680200 82.1901 39.9823 36.1926 39.9825 -11.4088 -178.337 36.1917 -178.335 -27.3941 GPRESSURE: 1680200 96.2833 83.5317 42.7418 0.612994 59.8947 -139.21 86.1796 -190.812 -31.9171 PRESSAVG: 1680200 48.9709 16.7723 -10.5742 16.7723 -30.4018 -49.2009 -10.5743 -49.2009 -15.4477 GPRESSAVG: 1680200 48.7114 15.1492 -10.0905 17.5525 -29.7576 -49.1654 -8.59456 -50.8276 -16.6623 TIMING: 1680200 CPU: 5066.13, 0.00299288/step Wall: 5066.13, 0.00299288/step, 2.75994 hours remaining, 209.820312 MB of memory in use. ENERGY: 1680200 765.8798 2129.3244 1953.8081 114.1860 -205567.7453 17622.0865 0.0000 0.0000 34221.8022 -148760.6583 298.8675 -182982.4605 -148665.2883 300.7480 14.4624 41.4203 558244.8268 1.0405 0.7638 LDB: ============= START OF LOAD BALANCING ============== 5069.65 LDB: ============== END OF LOAD BALANCING =============== 5069.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5069.65 LDB: ============= START OF LOAD BALANCING ============== 5069.95 LDB: Largest compute 4800 load 0.032781 is 27.8% of average load 0.117930 LDB: Average compute 0.001746 is 1.5% of average load 0.117930 LDB: TIME 5069.95 LOAD: AVG 0.11793 MAX 0.214129 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.938 MB LDB: TIME 5069.95 LOAD: AVG 0.11793 MAX 0.214129 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.141 MB LDB: TIME 5069.95 LOAD: AVG 0.11793 MAX 0.214129 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.141 MB LDB: ============== END OF LOAD BALANCING =============== 5069.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5069.96 PRESSURE: 1680400 53.232 34.1226 248.241 34.1223 -181.378 -78.6151 248.242 -78.6147 -118.909 GPRESSURE: 1680400 -7.38535 23.0473 218.569 73.9976 -133.013 -25.9276 208.177 -171.077 -10.3666 PRESSAVG: 1680400 0.542976 30.5773 -36.1623 30.5773 6.75763 -32.8286 -36.1623 -32.8284 -18.3095 GPRESSAVG: 1680400 0.587376 32.5909 -35.3747 29.7329 7.12751 -32.3593 -38.3503 -32.3802 -18.8337 TIMING: 1680400 CPU: 5066.74, 0.00304602/step Wall: 5066.74, 0.00304602/step, 2.80877 hours remaining, 208.835938 MB of memory in use. ENERGY: 1680400 759.7146 2071.8675 1942.2654 120.6951 -205280.4813 17220.4673 0.0000 0.0000 34445.2273 -148720.2442 300.8187 -183165.4714 -148615.0881 300.7417 -82.3517 -50.2551 557099.7297 -3.6696 -3.7063 PRESSURE: 1680600 -259.239 108.248 15.9624 108.249 -2.90139 -66.3719 15.9624 -66.372 -66.0939 GPRESSURE: 1680600 -192.25 172.508 -72.8906 38.2459 45.8935 -54.1548 19.8902 -59.42 -77.6439 PRESSAVG: 1680600 5.60669 79.523 -39.3278 79.523 -42.3732 -31.7746 -39.3278 -31.7746 -6.28407 GPRESSAVG: 1680600 6.83909 79.4861 -40.525 78.3959 -43.5682 -31.3864 -37.6856 -32.2776 -6.37696 TIMING: 1680600 CPU: 5067.34, 0.002991/step Wall: 5067.34, 0.002991/step, 2.75787 hours remaining, 209.039062 MB of memory in use. ENERGY: 1680600 734.6208 2166.2692 1937.7236 111.3774 -205542.9409 17419.1364 0.0000 0.0000 34359.1725 -148814.6410 300.0672 -183173.8135 -148720.6474 300.5287 -109.4115 -74.6669 557893.1040 -14.3502 -14.3687 PRESSURE: 1680800 -41.4339 65.7916 -59.8684 65.7914 -17.6351 -101.207 -59.8691 -101.208 -122.19 GPRESSURE: 1680800 37.2676 112.71 -19.6021 90.9124 0.446182 -88.4777 -72.099 -49.1994 -119.339 PRESSAVG: 1680800 -37.7497 86.1924 -15.4707 86.1923 24.2163 4.54175 -15.4707 4.54178 -4.46447 GPRESSAVG: 1680800 -39.0755 87.7316 -14.7423 87.0598 25.6377 8.52839 -16.0909 3.76832 -4.66796 TIMING: 1680800 CPU: 5067.94, 0.00301714/step Wall: 5067.94, 0.00301714/step, 2.7818 hours remaining, 209.039062 MB of memory in use. ENERGY: 1680800 762.2037 2100.7166 1958.2945 103.0433 -205943.2619 17677.9669 0.0000 0.0000 34390.4934 -148950.5434 300.3407 -183341.0368 -148854.9098 300.6640 -60.4197 -27.2084 557175.7444 -5.9993 -6.0353 PRESSURE: 1681000 -53.0157 110.231 110.387 110.231 -155.1 69.8226 110.386 69.8222 -414.36 GPRESSURE: 1681000 -87.2261 104.122 108.225 121.051 -92.684 35.4955 0.955202 118.082 -331.927 PRESSAVG: 1681000 -12.7479 60.5413 4.27222 60.5414 33.6572 28.2297 4.27226 28.2297 14.3383 GPRESSAVG: 1681000 -13.1181 58.3999 2.52474 62.6759 32.7576 24.2275 4.66692 29.8652 15.2036 TIMING: 1681000 CPU: 5068.55, 0.00300923/step Wall: 5068.55, 0.00300923/step, 2.77434 hours remaining, 209.300781 MB of memory in use. ENERGY: 1681000 770.6052 2144.9003 1923.1638 114.8955 -205604.4067 17385.1088 0.0000 0.0000 34439.8525 -148825.8805 300.7718 -183265.7330 -148730.1064 300.4749 -207.4921 -170.6123 557186.0278 11.7492 11.6144 PRESSURE: 1681200 -55.206 160.925 -172.414 160.924 -226.517 6.38961 -172.414 6.39026 -55.3833 GPRESSURE: 1681200 -3.23918 162.709 -149.719 35.6152 -186.717 -6.87923 -160.251 -45.4067 -42.5791 PRESSAVG: 1681200 -60.0162 71.5207 -38.6941 71.5207 63.1172 33.9909 -38.694 33.9909 0.695529 GPRESSAVG: 1681200 -59.4199 71.7221 -36.8434 71.6618 62.3324 33.2845 -38.1055 32.6094 0.526147 TIMING: 1681200 CPU: 5069.15, 0.00302895/step Wall: 5069.15, 0.00302895/step, 2.79235 hours remaining, 209.300781 MB of memory in use. ENERGY: 1681200 802.0158 2136.2512 1928.2156 122.9754 -205709.7850 17715.3512 0.0000 0.0000 34130.8151 -148874.1607 298.0729 -183004.9758 -148774.5889 299.8639 -112.3687 -77.5118 557775.6662 1.2655 1.1462 PRESSURE: 1681400 -130.559 -85.4504 -55.3046 -85.451 -148.072 -105.808 -55.3036 -105.808 31.7162 GPRESSURE: 1681400 -104.149 25.1689 -122.624 -103.894 -119.616 -173.664 -45.196 -79.001 71.3693 PRESSAVG: 1681400 15.3021 33.673 -47.9526 33.673 -50.0938 4.30368 -47.9526 4.30376 33.483 GPRESSAVG: 1681400 14.8022 35.0348 -48.3158 32.9031 -50.3082 6.54957 -47.6758 4.50746 33.7206 TIMING: 1681400 CPU: 5069.76, 0.00305329/step Wall: 5069.76, 0.00305329/step, 2.81462 hours remaining, 209.300781 MB of memory in use. ENERGY: 1681400 740.7869 2174.3283 1919.2331 115.1689 -205687.0456 17593.6389 0.0000 0.0000 34424.7147 -148719.1749 300.6396 -183143.8896 -148624.8388 300.6018 -82.3050 -50.7983 559061.2982 -0.4362 -0.5951 PRESSURE: 1681600 -20.3274 -59.1917 77.3914 -59.1923 -304.794 41.0974 77.3928 41.0978 19.6135 GPRESSURE: 1681600 -57.8804 -103.743 70.6161 -40.7903 -158.489 -29.825 -8.25406 92.994 7.52552 PRESSAVG: 1681600 -60.6605 5.1049 53.7666 5.10499 9.17107 61.7801 53.7666 61.7801 16.8044 GPRESSAVG: 1681600 -60.8687 3.65991 54.9094 6.37705 9.79954 59.1592 52.1014 61.9761 16.1304 TIMING: 1681600 CPU: 5070.37, 0.0030394/step Wall: 5070.37, 0.0030394/step, 2.80165 hours remaining, 209.300781 MB of memory in use. ENERGY: 1681600 758.4033 2158.1757 1906.1007 117.2360 -205686.1985 17543.1187 0.0000 0.0000 34390.8964 -148812.2677 300.3443 -183203.1641 -148723.2897 300.7606 -101.8358 -69.6146 557571.0037 -11.5617 -11.6462 PRESSURE: 1681800 -80.9153 -20.6891 75.294 -20.6887 25.9952 -129.437 75.2951 -129.438 -16.0033 GPRESSURE: 1681800 -39.3347 10.5162 129.809 -8.38178 17.7325 -81.3166 42.8636 -135.532 32.973 PRESSAVG: 1681800 -25.8767 33.2103 19.6648 33.2103 52.8971 -33.8095 19.6648 -33.8095 -18.4268 GPRESSAVG: 1681800 -24.74 32.9504 17.4206 31.2639 52.0044 -31.1427 21.7631 -34.1018 -18.7852 TIMING: 1681800 CPU: 5070.98, 0.00305478/step Wall: 5070.98, 0.00305478/step, 2.81566 hours remaining, 209.300781 MB of memory in use. ENERGY: 1681800 750.0360 2137.6223 1952.4661 119.0367 -206034.7825 17805.6777 0.0000 0.0000 34391.8311 -148878.1125 300.3524 -183269.9436 -148772.1744 301.0503 -23.6411 3.7902 558267.6542 2.8645 2.8264 PRESSURE: 1682000 -35.8112 -29.3441 -49.3853 -29.3442 -258.498 80.7002 -49.384 80.7002 72.1947 GPRESSURE: 1682000 12.4938 -23.5918 -96.8245 -10.9448 -178.648 169.798 32.5582 -22.8844 47.9559 PRESSAVG: 1682000 31.2501 49.8645 46.4018 49.8645 -12.2181 -24.7845 46.4018 -24.7846 4.19528 GPRESSAVG: 1682000 30.3967 50.4142 46.7701 49.5037 -11.76 -25.7679 47.351 -25.6863 4.71556 TIMING: 1682000 CPU: 5071.6, 0.00308945/step Wall: 5071.6, 0.00308945/step, 2.84744 hours remaining, 209.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1682000 763.2833 2059.8079 1951.4145 118.8527 -205797.5420 17622.6066 0.0000 0.0000 34456.8332 -148824.7438 300.9201 -183281.5769 -148730.3732 301.2357 -74.0381 -39.3995 558040.5684 7.7425 7.7841 PRESSURE: 1682200 52.7351 -71.6887 -98.0663 -71.6892 -44.8675 47.9969 -98.0668 47.9968 -87.572 GPRESSURE: 1682200 40.2542 -63.7399 -21.0342 -78.7688 36.7746 60.6536 -86.5454 30.7809 -39.6457 PRESSAVG: 1682200 -41.0664 13.6715 -2.44727 13.6715 -18.0252 -13.2213 -2.44719 -13.2213 33.1188 GPRESSAVG: 1682200 -41.2471 15.4901 -2.68575 14.1313 -17.3234 -13.3309 -2.3825 -10.8489 32.9014 TIMING: 1682200 CPU: 5072.21, 0.00305215/step Wall: 5072.21, 0.00305215/step, 2.81289 hours remaining, 209.300781 MB of memory in use. ENERGY: 1682200 790.5720 2073.8446 1961.5187 98.7562 -205935.5952 17746.1996 0.0000 0.0000 34380.4191 -148884.2851 300.2528 -183264.7041 -148779.0203 301.0755 -26.5682 12.4610 557021.6448 -8.6576 -8.5563 PRESSURE: 1682400 -122.081 14.2397 6.97862 14.2383 113.027 184.204 6.9792 184.207 -313.569 GPRESSURE: 1682400 -57.6195 73.5144 -26.7093 38.1974 83.286 239.102 -8.08238 147.612 -237.96 PRESSAVG: 1682400 -7.79929 41.8077 -0.475859 41.8078 -25.8541 -29.3349 -0.475932 -29.3348 15.1334 GPRESSAVG: 1682400 -7.24252 41.6327 0.966789 40.8655 -26.9968 -29.4543 -2.15985 -30.4845 15.8431 TIMING: 1682400 CPU: 5072.81, 0.00302547/step Wall: 5072.81, 0.00302547/step, 2.78814 hours remaining, 209.300781 MB of memory in use. ENERGY: 1682400 762.7978 2082.3922 1938.6286 112.5267 -205455.9030 17543.6252 0.0000 0.0000 34176.8195 -148839.1130 298.4747 -183015.9325 -148740.7922 300.5502 -107.5409 -70.7644 556337.0407 -6.1733 -6.1321 PRESSURE: 1682600 -31.3631 223.279 131.791 223.278 -244.313 69.7524 131.791 69.7516 34.1224 GPRESSURE: 1682600 31.7067 301.126 183.177 253.761 -229.335 3.89956 50.4375 47.6514 62.1981 PRESSAVG: 1682600 -33.3346 22.9178 0.969931 22.9177 -20.1343 -20.7993 0.969948 -20.7994 41.9905 GPRESSAVG: 1682600 -32.8692 21.5492 0.957241 23.8098 -20.0347 -22.2139 -0.715967 -22.2257 41.1592 TIMING: 1682600 CPU: 5073.42, 0.00301357/step Wall: 5073.42, 0.00301357/step, 2.777 hours remaining, 209.437500 MB of memory in use. ENERGY: 1682600 773.3042 2059.1106 1927.9623 118.4474 -205633.4697 17501.6597 0.0000 0.0000 34342.6090 -148910.3764 299.9225 -183252.9855 -148812.6550 300.9132 -80.5178 -45.1433 557745.7590 -3.8261 -3.9149 PRESSURE: 1682800 -39.5491 40.6157 72.269 40.6166 -131.338 13.1843 72.2688 13.1857 -92.3339 GPRESSURE: 1682800 38.1317 36.0857 60.7107 62.7962 -127.547 -75.0052 65.0879 12.5617 -70.0734 PRESSAVG: 1682800 -21.4526 -0.668633 29.3067 -0.668659 38.3981 14.0177 29.3068 14.0177 15.8749 GPRESSAVG: 1682800 -21.3593 0.504165 30.2007 -0.557398 38.2283 16.0732 30.5633 16.3793 16.4627 TIMING: 1682800 CPU: 5074.03, 0.00304732/step Wall: 5074.03, 0.00304732/step, 2.80794 hours remaining, 209.437500 MB of memory in use. ENERGY: 1682800 768.1780 2078.8185 1941.9258 123.1772 -206100.8099 17790.7921 0.0000 0.0000 34378.9492 -149018.9691 300.2399 -183397.9183 -148925.2549 300.7426 -87.7403 -53.1628 557208.6674 10.9401 11.1106 PRESSURE: 1683000 243.988 -3.93641 140.637 -3.93593 129.48 -93.1053 140.637 -93.1067 130.812 GPRESSURE: 1683000 225.339 -29.1029 140.518 -20.5764 191.704 -108.32 93.7618 -48.2766 185.585 PRESSAVG: 1683000 15.1327 -18.4219 -4.5904 -18.4219 -14.5509 -35.7767 -4.59034 -35.7766 12.5204 GPRESSAVG: 1683000 14.9837 -18.2761 -4.00931 -18.7756 -13.7587 -37.1505 -5.41309 -37.0008 11.9985 TIMING: 1683000 CPU: 5074.64, 0.00305081/step Wall: 5074.64, 0.00305081/step, 2.81098 hours remaining, 209.437500 MB of memory in use. ENERGY: 1683000 743.8141 2072.0941 1931.0758 114.9108 -206007.7866 17942.8473 0.0000 0.0000 34358.7745 -148844.2700 300.0637 -183203.0445 -148747.0846 300.1421 168.0934 200.8756 556346.8185 4.3674 4.4078 PRESSURE: 1683200 356.326 -34.0679 -45.8319 -34.0691 42.1927 62.3824 -45.8329 62.382 98.3605 GPRESSURE: 1683200 383.017 22.9526 3.17539 -65.3343 54.3218 81.3718 -56.2976 3.18467 151.221 PRESSAVG: 1683200 63.4665 32.9816 18.2225 32.9816 -17.4258 -1.12662 18.2223 -1.12668 11.66 GPRESSAVG: 1683200 63.8773 32.1165 19.096 33.8323 -17.8875 -0.576235 17.0153 -1.28933 11.8184 TIMING: 1683200 CPU: 5075.24, 0.00301776/step Wall: 5075.24, 0.00301776/step, 2.78036 hours remaining, 209.437500 MB of memory in use. ENERGY: 1683200 715.1985 2057.8915 1965.9690 104.7800 -206305.7532 17946.7990 0.0000 0.0000 34399.9999 -149115.1154 300.4238 -183515.1152 -149019.3009 299.8991 165.6263 196.1864 556749.1522 19.2336 19.2694 PRESSURE: 1683400 -133.278 23.6711 3.81183 23.671 -79.8276 -117.418 3.81166 -117.417 -79.6363 GPRESSURE: 1683400 -60.026 -27.8107 88.7999 71.4621 -89.3148 -70.008 -44.8268 -152.242 -38.7808 PRESSAVG: 1683400 30.2622 11.702 15.1114 11.702 -37.1236 4.12195 15.1114 4.12199 -40.2245 GPRESSAVG: 1683400 30.7442 12.4249 12.1719 9.70126 -37.09 5.57704 18.7483 4.94048 -41.0568 TIMING: 1683400 CPU: 5075.84, 0.00300212/step Wall: 5075.84, 0.00300212/step, 2.76578 hours remaining, 209.437500 MB of memory in use. ENERGY: 1683400 723.2669 2085.3874 1919.2199 110.9176 -205686.2079 17440.8691 0.0000 0.0000 34322.6352 -149083.9119 299.7481 -183406.5470 -148986.6600 299.9779 -97.5805 -62.7072 557223.0760 -15.6953 -15.8009 PRESSURE: 1683600 114.882 -57.9862 -68.582 -57.9857 -201.534 -40.8993 -68.581 -40.8998 -104.294 GPRESSURE: 1683600 100.309 -20.9696 47.5089 -50.2514 -144.865 -5.72571 -108.166 -21.168 -48.8551 PRESSAVG: 1683600 53.5277 -36.8075 15.5725 -36.8075 55.0972 29.0375 15.5725 29.0374 -110.792 GPRESSAVG: 1683600 53.1675 -38.3142 17.1304 -34.2173 54.8396 27.3006 14.3816 27.7212 -110.634 TIMING: 1683600 CPU: 5076.44, 0.0030162/step Wall: 5076.44, 0.0030162/step, 2.77859 hours remaining, 209.437500 MB of memory in use. ENERGY: 1683600 760.5524 2047.3871 1946.2353 111.2986 -205983.4496 17609.7747 0.0000 0.0000 34413.2110 -149094.9905 300.5391 -183508.2015 -148997.0649 299.5601 -63.6487 -31.1368 556587.6523 -0.7222 -0.8756 PRESSURE: 1683800 21.7187 -44.0739 59.8691 -44.076 -205.779 156.002 59.8702 156.003 129.977 GPRESSURE: 1683800 41.8174 5.92302 58.972 -81.1647 -154.172 169.62 85.6538 190.915 145.413 PRESSAVG: 1683800 15.771 -33.8122 15.4925 -33.8122 53.5564 21.9709 15.4925 21.9709 -56.8455 GPRESSAVG: 1683800 16.089 -33.9929 14.4459 -33.7016 53.1382 20.9278 16.1881 24.1209 -56.9794 TIMING: 1683800 CPU: 5077.05, 0.00301157/step Wall: 5077.05, 0.00301157/step, 2.77415 hours remaining, 209.437500 MB of memory in use. ENERGY: 1683800 733.8745 2077.5390 1909.4941 123.4014 -206203.9987 17836.1577 0.0000 0.0000 34250.8701 -149272.6619 299.1214 -183523.5320 -149184.0965 299.0524 -18.0278 11.0196 557537.8183 4.1606 4.0826 PRESSURE: 1684000 30.5114 -79.6408 -149.466 -79.6404 173.265 -76.1638 -149.466 -76.1636 3.1453 GPRESSURE: 1684000 134.772 -145.97 -169.607 -21.2987 158.713 -176.203 -97.0582 -64.2678 7.86812 PRESSAVG: 1684000 24.3769 -8.46337 50.3785 -8.46344 -19.5977 -48.6866 50.3783 -48.6865 -34.1546 GPRESSAVG: 1684000 25.2442 -7.23279 49.885 -9.4004 -19.4219 -48.0703 49.8627 -50.9469 -35.1273 TIMING: 1684000 CPU: 5077.65, 0.00302713/step Wall: 5077.65, 0.00302713/step, 2.78833 hours remaining, 209.437500 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: 1684000 765.4449 2021.2468 1940.9537 102.9924 -206435.9917 18089.5893 0.0000 0.0000 34345.3721 -149170.3924 299.9467 -183515.7645 -149072.7032 299.9576 68.9740 100.4511 558089.4234 -9.7918 -9.7683 PRESSURE: 1684200 -119.907 78.8098 49.7242 78.8084 332.935 -31.2441 49.7237 -31.2436 -189.365 GPRESSURE: 1684200 -121.11 54.4653 -30.9919 148.162 355.94 -54.8951 32.3315 27.3936 -99.8893 PRESSAVG: 1684200 30.6722 -3.21215 -17.5312 -3.21218 14.9649 7.21214 -17.5312 7.2122 -86.614 GPRESSAVG: 1684200 28.8645 -1.42663 -17.5912 -3.1637 14.8386 6.2131 -17.7784 9.25566 -85.0276 TIMING: 1684200 CPU: 5078.26, 0.00303179/step Wall: 5078.26, 0.00303179/step, 2.79245 hours remaining, 209.437500 MB of memory in use. ENERGY: 1684200 731.4867 2038.4620 1944.4874 116.7809 -206063.3311 17896.8365 0.0000 0.0000 34151.5109 -149183.7666 298.2536 -183335.2775 -149083.4909 298.8040 7.8877 44.9803 560733.9276 -13.6590 -13.7748 LDB: ============= START OF LOAD BALANCING ============== 5081.78 LDB: ============== END OF LOAD BALANCING =============== 5081.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5081.78 LDB: ============= START OF LOAD BALANCING ============== 5082.08 LDB: Largest compute 4800 load 0.032875 is 27.9% of average load 0.117858 LDB: Average compute 0.001748 is 1.5% of average load 0.117858 LDB: TIME 5082.08 LOAD: AVG 0.117858 MAX 0.214118 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.227 MB LDB: TIME 5082.08 LOAD: AVG 0.117858 MAX 0.214118 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: TIME 5082.08 LOAD: AVG 0.117858 MAX 0.214118 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: ============== END OF LOAD BALANCING =============== 5082.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5082.09 PRESSURE: 1684400 109.769 105.16 -93.7971 105.161 -21.7331 0.239612 -93.7962 0.238969 77.5679 GPRESSURE: 1684400 125.352 55.8863 -39.6724 120.416 20.1309 51.7514 -147.797 -62.3949 101.222 PRESSAVG: 1684400 -6.20593 70.4836 78.0167 70.4836 0.331171 19.1985 78.0166 19.1984 25.8034 GPRESSAVG: 1684400 -5.52177 70.4159 78.984 70.2659 0.486587 20.2375 78.3488 18.1806 24.2984 TIMING: 1684400 CPU: 5078.87, 0.00305941/step Wall: 5078.87, 0.00305941/step, 2.81772 hours remaining, 208.132812 MB of memory in use. ENERGY: 1684400 723.3181 2039.6101 1948.5627 123.2390 -206586.1376 17952.5805 0.0000 0.0000 34280.9001 -149517.9272 299.3836 -183798.8273 -149425.9921 298.7890 55.2011 82.2349 557161.2961 6.6429 6.4211 PRESSURE: 1684600 -45.3904 58.7913 95.2166 58.7904 -55.0707 142.559 95.2165 142.561 134.65 GPRESSURE: 1684600 -35.5563 78.5806 157.61 35.7647 25.2312 156.943 18.0703 147.549 134.511 PRESSAVG: 1684600 20.2701 -11.5416 -1.26463 -11.5414 40.254 42.7613 -1.26465 42.7614 -50.3376 GPRESSAVG: 1684600 19.3479 -13.6013 -3.20522 -10.4996 41.2263 42.8974 -1.06239 41.9551 -50.4209 TIMING: 1684600 CPU: 5079.47, 0.00301408/step Wall: 5079.47, 0.00301408/step, 2.7758 hours remaining, 208.335938 MB of memory in use. ENERGY: 1684600 716.1119 2107.7124 1943.4426 92.5295 -206536.0368 18004.4832 0.0000 0.0000 34186.2345 -149485.5228 298.5569 -183671.7572 -149395.3508 298.1488 11.3962 41.3952 558050.7564 3.3955 3.3845 PRESSURE: 1684800 -59.4604 48.195 -12.3787 48.1944 -44.3344 -76.6141 -12.3789 -76.6132 43.3852 GPRESSURE: 1684800 -2.08694 123.813 -29.3946 -12.6397 -26.484 19.6974 10.2503 -17.5569 82.2297 PRESSAVG: 1684800 -45.3911 -16.5702 22.6688 -16.5702 16.153 73.0873 22.6688 73.0873 54.2202 GPRESSAVG: 1684800 -45.0319 -17.2308 25.1312 -15.2218 15.6193 70.6589 22.9635 77.6276 54.6908 TIMING: 1684800 CPU: 5080.07, 0.00298794/step Wall: 5080.07, 0.00298794/step, 2.75156 hours remaining, 208.335938 MB of memory in use. ENERGY: 1684800 710.0265 2068.5825 1918.6873 121.1393 -206680.7553 17989.2944 0.0000 0.0000 34317.7947 -149555.2307 299.7058 -183873.0254 -149470.7652 298.1792 -20.1365 17.8863 558039.1812 8.3273 8.4261 PRESSURE: 1685000 172.049 1.36764 37.9245 1.36828 118.804 82.6551 37.9232 82.6566 -2.78828 GPRESSURE: 1685000 188.439 105.988 27.7953 -30.0116 127.167 56.8245 94.2836 127.292 72.3514 PRESSAVG: 1685000 5.8251 11.1414 -15.08 11.1415 -0.0511509 37.0143 -15.08 37.0141 25.0809 GPRESSAVG: 1685000 4.49138 13.3181 -17.361 11.1594 -0.643529 40.6748 -15.0411 33.8449 26.7685 TIMING: 1685000 CPU: 5080.68, 0.00302753/step Wall: 5080.68, 0.00302753/step, 2.78785 hours remaining, 208.335938 MB of memory in use. ENERGY: 1685000 742.1737 2120.9443 1921.3813 107.9685 -206495.5355 18002.8204 0.0000 0.0000 34150.1322 -149450.1152 298.2416 -183600.2473 -149353.6551 298.3343 96.0215 129.3192 557149.0018 10.2850 10.2054 PRESSURE: 1685200 -111.731 58.6718 -22.0599 58.6727 -196.555 -44.4265 -22.0595 -44.4278 -188.453 GPRESSURE: 1685200 -108.615 21.8609 -49.7512 120.676 -113.482 -58.5933 23.1258 -19.2893 -186.9 PRESSAVG: 1685200 14.2577 29.2019 -33.1101 29.2019 -4.17988 5.51776 -33.1101 5.51787 6.60944 GPRESSAVG: 1685200 14.4846 28.1982 -32.0379 29.2101 -4.51183 4.06263 -31.1933 5.0028 6.34044 TIMING: 1685200 CPU: 5081.28, 0.00301945/step Wall: 5081.28, 0.00301945/step, 2.78024 hours remaining, 208.335938 MB of memory in use. ENERGY: 1685200 758.8652 2076.1549 1948.9010 116.2027 -206038.6642 17647.1977 0.0000 0.0000 34153.3050 -149338.0377 298.2693 -183491.3427 -149239.4741 298.6215 -165.5800 -136.3323 558460.1250 5.5624 5.4377 PRESSURE: 1685400 -88.9035 76.0396 -82.0856 76.0398 -144.042 96.5439 -82.0866 96.5457 -166.835 GPRESSURE: 1685400 -69.9264 22.7157 -13.9302 64.4247 -123.92 135.731 -95.4919 67.8083 -112.085 PRESSAVG: 1685400 -26.9778 25.8109 -44.2422 25.8109 -0.611912 40.1383 -44.2422 40.1382 12.7576 GPRESSAVG: 1685400 -27.3557 26.5771 -44.1392 25.1811 1.65656 41.5533 -44.2104 39.5851 11.3538 TIMING: 1685400 CPU: 5081.88, 0.00300592/step Wall: 5081.88, 0.00300592/step, 2.76762 hours remaining, 208.335938 MB of memory in use. ENERGY: 1685400 751.2758 2131.7338 1932.8973 104.8933 -206151.0015 17648.5063 0.0000 0.0000 34340.9500 -149240.7450 299.9081 -183581.6950 -149142.8801 298.7704 -133.2603 -101.9771 557418.8801 -4.9440 -4.7818 PRESSURE: 1685600 20.3775 -94.0902 65.6445 -94.0895 47.0496 -10.9097 65.645 -10.9121 230.62 GPRESSURE: 1685600 43.7109 -28.6282 62.6493 -120.813 58.4086 15.776 46.097 -14.0557 278.631 PRESSAVG: 1685600 -9.60218 -16.4368 -48.9956 -16.4368 -22.9459 8.86273 -48.9957 8.86278 8.23666 GPRESSAVG: 1685600 -8.9569 -18.955 -49.1374 -17.4777 -25.2835 7.61753 -51.3455 9.7138 10.1353 TIMING: 1685600 CPU: 5082.49, 0.00303083/step Wall: 5082.49, 0.00303083/step, 2.79039 hours remaining, 208.335938 MB of memory in use. ENERGY: 1685600 727.4490 2086.9963 1944.8944 115.2077 -206354.4849 18062.6358 0.0000 0.0000 34052.8504 -149364.4514 297.3920 -183417.3018 -149276.2812 298.8915 99.3489 126.9167 557782.9529 -8.1038 -8.0350 PRESSURE: 1685800 -210.292 102.277 50.1278 102.277 -71.4281 82.5138 50.1271 82.5144 -282.661 GPRESSURE: 1685800 -157.339 116.324 71.3992 26.2605 -35.0115 143.325 17.7266 -25.06 -272.148 PRESSAVG: 1685800 -35.04 49.9714 48.744 49.9713 28.4921 15.0875 48.7439 15.0875 -34.9134 GPRESSAVG: 1685800 -35.6317 53.92 50.0456 47.1426 28.8529 16.5655 49.9916 15.4452 -34.8602 TIMING: 1685800 CPU: 5083.09, 0.00301762/step Wall: 5083.09, 0.00301762/step, 2.77806 hours remaining, 208.335938 MB of memory in use. ENERGY: 1685800 780.5129 2108.1462 1943.4554 102.6374 -206169.6338 17653.9095 0.0000 0.0000 34274.3474 -149306.6251 299.3264 -183580.9725 -149221.0779 298.9367 -188.1271 -154.8326 556223.5624 -13.8204 -13.8797 PRESSURE: 1686000 -216.802 -112.919 -38.4002 -112.919 -138.759 64.2214 -38.4018 64.222 -30.9203 GPRESSURE: 1686000 -187.069 -138.499 -66.7508 -141.614 -93.6196 24.6125 23.4491 39.5827 1.29223 PRESSAVG: 1686000 -39.1136 -1.84319 37.2345 -1.84307 -40.783 -31.3564 37.2346 -31.3564 59.9631 GPRESSAVG: 1686000 -38.1988 -4.13399 38.2605 -0.526744 -41.0933 -33.1324 36.7597 -30.7339 58.9946 TIMING: 1686000 CPU: 5083.69, 0.00301931/step Wall: 5083.69, 0.00301931/step, 2.77944 hours remaining, 208.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1686000 721.9966 2103.2930 1918.6278 105.7988 -206047.8627 17675.3170 0.0000 0.0000 34265.1379 -149257.6916 299.2460 -183522.8295 -149162.7261 299.2465 -128.8271 -93.1320 558473.1821 -6.6445 -6.7658 PRESSURE: 1686200 204.124 -66.5469 69.9927 -66.5463 -155.896 -32.5406 69.9925 -32.5403 -141.952 GPRESSURE: 1686200 176.006 -106.43 157.497 10.4137 -118.221 -60.1324 126.017 92.0373 -52.2075 PRESSAVG: 1686200 23.0811 -16.7858 23.6438 -16.7858 0.794182 36.4369 23.6439 36.4369 -15.7371 GPRESSAVG: 1686200 22.8143 -16.5797 24.2774 -16.0313 0.364545 37.7894 23.2016 35.5046 -14.6205 TIMING: 1686200 CPU: 5084.3, 0.00302491/step Wall: 5084.3, 0.00302491/step, 2.78443 hours remaining, 208.460938 MB of memory in use. ENERGY: 1686200 735.7977 2103.0361 1926.3899 120.5245 -206275.0816 17713.8558 0.0000 0.0000 34475.3569 -149200.1207 301.0819 -183675.4776 -149104.8395 299.0056 -31.2412 1.8589 557679.1518 2.7127 2.8528 PRESSURE: 1686400 -245.321 -92.3051 278.9 -92.3061 -145.604 -163.708 278.9 -163.707 180.535 GPRESSURE: 1686400 -220.854 -34.7509 245.965 -57.8522 -82.3769 -135.171 241.891 -169.105 191.578 PRESSAVG: 1686400 -39.2014 43.1677 51.9783 43.1676 8.07111 -11.3126 51.9783 -11.3127 36.2966 GPRESSAVG: 1686400 -39.1489 43.5423 48.8955 43.4035 8.03492 -12.0113 53.645 -12.7637 36.0326 TIMING: 1686400 CPU: 5084.91, 0.0030385/step Wall: 5084.91, 0.0030385/step, 2.79677 hours remaining, 208.460938 MB of memory in use. ENERGY: 1686400 754.8491 2104.1729 1943.9213 119.4650 -206158.4799 17728.2955 0.0000 0.0000 34273.6496 -149234.1265 299.3203 -183507.7762 -149130.1285 299.5769 -70.1300 -37.2178 557383.0843 1.7221 1.6396 PRESSURE: 1686600 59.049 -179.757 16.3557 -179.756 46.1352 32.6812 16.3568 32.6809 118.796 GPRESSURE: 1686600 140.539 -139.064 -20.6956 -260.982 19.9664 22.921 32.8625 84.3148 151.212 PRESSAVG: 1686600 -53.8595 -13.5787 104.804 -13.5788 26.1296 22.6548 104.804 22.6549 50.2585 GPRESSAVG: 1686600 -54.6714 -12.2746 107.204 -15.2143 26.2629 21.7097 103.397 24.4255 50.4101 TIMING: 1686600 CPU: 5085.51, 0.00303502/step Wall: 5085.51, 0.00303502/step, 2.79339 hours remaining, 208.460938 MB of memory in use. ENERGY: 1686600 761.0959 2061.5295 1937.7255 118.9940 -206190.3977 17915.8214 0.0000 0.0000 34205.1611 -149190.0705 298.7222 -183395.2315 -149091.0307 299.0580 74.6601 103.9061 556664.5620 7.5095 7.3339 PRESSURE: 1686800 3.20539 -6.9659 -27.4667 -6.96495 -77.2847 139.529 -27.4663 139.529 108.925 GPRESSURE: 1686800 54.4518 1.14924 -71.8117 -54.9308 -36.4626 218.212 -4.6902 94.4055 121.32 PRESSAVG: 1686800 58.549 -20.3989 0.885976 -20.3989 -43.6467 16.7915 0.886062 16.7916 -6.89298 GPRESSAVG: 1686800 58.5868 -21.4587 0.588784 -19.3296 -44.1205 18.2201 2.34337 15.0257 -6.8134 TIMING: 1686800 CPU: 5086.12, 0.00300939/step Wall: 5086.12, 0.00300939/step, 2.76964 hours remaining, 208.460938 MB of memory in use. ENERGY: 1686800 756.2473 2152.2474 1940.6475 124.8702 -206167.7772 17719.3435 0.0000 0.0000 34344.6391 -149129.7823 299.9403 -183474.4214 -149027.5293 300.7414 11.6152 46.4363 557530.4739 2.6698 2.5510 PRESSURE: 1687000 -202.014 -33.8882 27.9265 -33.8884 -74.4239 133.183 27.9263 133.184 22.0743 GPRESSURE: 1687000 -155.456 -87.8801 -46.802 39.7523 -27.4634 109.6 94.3286 129.477 24.8223 PRESSAVG: 1687000 32.0966 40.1299 17.1516 40.1299 -25.7709 5.99306 17.1516 5.99304 34.259 GPRESSAVG: 1687000 32.2992 39.8342 16.4405 40.2373 -24.4067 6.81869 16.6398 7.16996 32.954 TIMING: 1687000 CPU: 5086.72, 0.00300934/step Wall: 5086.72, 0.00300934/step, 2.76943 hours remaining, 208.460938 MB of memory in use. ENERGY: 1687000 768.5807 2124.4625 1936.8708 124.5983 -205972.9525 17732.4052 0.0000 0.0000 34193.5112 -149092.5239 298.6204 -183286.0351 -149002.3794 300.2707 -84.7878 -52.6991 557652.6483 13.5282 13.6155 PRESSURE: 1687200 -26.3508 -26.5319 40.6636 -26.5327 19.6116 -22.4544 40.6639 -22.4537 -105.966 GPRESSURE: 1687200 -46.8755 13.0078 44.6123 32.3604 106.079 -30.6851 26.0851 -155.211 -68.9914 PRESSAVG: 1687200 36.5781 27.4265 27.8635 27.4266 3.89003 -44.9441 27.8634 -44.9442 -16.065 GPRESSAVG: 1687200 35.1807 26.1038 28.282 28.3272 4.89238 -43.0409 28.835 -48.2921 -15.6643 TIMING: 1687200 CPU: 5087.33, 0.00305502/step Wall: 5087.33, 0.00305502/step, 2.8113 hours remaining, 208.460938 MB of memory in use. ENERGY: 1687200 763.9786 2094.8382 1930.0168 116.3314 -206108.3096 17618.4142 0.0000 0.0000 34493.0885 -149091.6419 301.2367 -183584.7304 -148996.9998 299.7190 -37.5683 -3.2627 556263.5070 8.1344 8.1363 PRESSURE: 1687400 -111.419 39.931 146.46 39.9308 -394.473 -60.4738 146.46 -60.4726 -223.675 GPRESSURE: 1687400 -82.9191 68.3848 82.0169 15.9349 -355.639 -136.077 171.834 39.4853 -208.804 PRESSAVG: 1687400 20.0438 -25.0039 25.8303 -25.0038 0.0430256 -6.34676 25.8303 -6.34674 -13.3392 GPRESSAVG: 1687400 21.2337 -23.6593 25.0871 -26.5155 -1.74881 -9.74433 25.3335 -2.78673 -13.2357 TIMING: 1687400 CPU: 5087.94, 0.00304488/step Wall: 5087.94, 0.00304488/step, 2.8018 hours remaining, 208.460938 MB of memory in use. ENERGY: 1687400 739.0876 2092.0867 1929.3567 122.5553 -205885.9018 17467.5572 0.0000 0.0000 34558.6825 -148976.5759 301.8096 -183535.2584 -148872.1765 300.3146 -243.1890 -215.7875 558329.6652 2.2492 2.0831 PRESSURE: 1687600 112.794 -105.081 -60.2906 -105.08 94.6613 -99.3041 -60.2906 -99.3036 -114.746 GPRESSURE: 1687600 96.536 -117.783 -1.15927 -88.2764 109.255 -135.036 -60.174 -30.9284 -18.7447 PRESSAVG: 1687600 44.5215 33.9267 12.6159 33.9268 -28.9346 -21.0481 12.6159 -21.0481 41.2226 GPRESSAVG: 1687600 45.1849 34.0229 13.352 33.3743 -29.0225 -20.3992 12.959 -20.6603 40.7214 TIMING: 1687600 CPU: 5088.54, 0.00299806/step Wall: 5088.54, 0.00299806/step, 2.75854 hours remaining, 208.605469 MB of memory in use. ENERGY: 1687600 789.6578 2104.3395 1955.6219 113.7881 -206234.7800 17993.2443 0.0000 0.0000 34358.5194 -148919.6090 300.0615 -183278.1285 -148830.1391 300.4152 30.9034 62.3487 557048.3146 18.9365 18.9613 PRESSURE: 1687800 45.1684 13.9626 173.964 13.9621 -101.977 67.5787 173.965 67.5785 -14.6687 GPRESSURE: 1687800 101.034 0.310101 255.159 45.6895 -81.3147 4.57578 83.162 61.3877 3.49306 PRESSAVG: 1687800 40.8227 -40.1775 -6.4787 -40.1775 -20.9654 -14.9278 -6.47872 -14.9278 -5.39316 GPRESSAVG: 1687800 40.756 -40.2301 -5.9406 -37.9503 -19.7288 -16.1934 -7.08603 -15.3688 -6.16238 TIMING: 1687800 CPU: 5089.14, 0.00301921/step Wall: 5089.14, 0.00301921/step, 2.77784 hours remaining, 208.605469 MB of memory in use. ENERGY: 1687800 770.3410 2071.1082 1935.0967 111.7544 -206245.9491 17959.3884 0.0000 0.0000 34190.3295 -149207.9309 298.5927 -183398.2605 -149110.7366 300.1771 -23.8256 7.7375 558265.4251 4.8214 4.9549 PRESSURE: 1688000 148.944 86.7412 62.4119 86.7406 -170.071 143.136 62.4116 143.135 265.832 GPRESSURE: 1688000 150.143 104.361 37.1555 123.294 -74.5289 126.161 72.958 108.806 266.24 PRESSAVG: 1688000 -49.0873 23.165 40.7941 23.165 -23.7043 -22.6647 40.7941 -22.6647 27.2767 GPRESSAVG: 1688000 -49.6043 24.4175 38.9074 21.8939 -24.1095 -21.2035 42.653 -24.0469 28.122 TIMING: 1688000 CPU: 5089.74, 0.00300604/step Wall: 5089.74, 0.00300604/step, 2.76555 hours remaining, 208.605469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1688000 733.8823 2071.0157 1935.4256 124.9408 -206371.7772 18028.2803 0.0000 0.0000 34459.9149 -149018.3176 300.9470 -183478.2325 -148924.5557 299.6365 81.5685 113.9512 557322.9395 -15.1716 -15.1973 PRESSURE: 1688200 -73.6369 -25.693 151.524 -25.6934 -335.788 113.795 151.524 113.796 -317.572 GPRESSURE: 1688200 -40.4193 -35.3644 169.412 22.1477 -272.943 170.093 105.64 162.649 -311.154 PRESSAVG: 1688200 33.628 -8.02984 40.5953 -8.02979 -57.2153 -12.7038 40.5953 -12.7038 12.6364 GPRESSAVG: 1688200 34.1807 -10.3467 43.2748 -4.90821 -58.2142 -11.9985 39.4893 -14.3239 13.8473 TIMING: 1688200 CPU: 5090.34, 0.00299065/step Wall: 5090.34, 0.00299065/step, 2.75123 hours remaining, 208.605469 MB of memory in use. ENERGY: 1688200 742.4597 2064.9167 1924.5200 102.9778 -205861.1541 17589.3698 0.0000 0.0000 34266.8752 -149170.0349 299.2611 -183436.9101 -149080.9571 299.8477 -242.3320 -208.1719 558527.1336 -3.6503 -3.3954 LDB: ============= START OF LOAD BALANCING ============== 5093.86 LDB: ============== END OF LOAD BALANCING =============== 5093.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5093.86 LDB: ============= START OF LOAD BALANCING ============== 5094.17 LDB: Largest compute 4800 load 0.033296 is 28.2% of average load 0.117954 LDB: Average compute 0.001744 is 1.5% of average load 0.117954 LDB: TIME 5094.17 LOAD: AVG 0.117954 MAX 0.218342 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.59 MB LDB: TIME 5094.17 LOAD: AVG 0.117954 MAX 0.218342 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.59 MB LDB: TIME 5094.17 LOAD: AVG 0.117954 MAX 0.218342 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.59 MB LDB: ============== END OF LOAD BALANCING =============== 5094.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5094.18 PRESSURE: 1688400 -320.224 147.788 110.427 147.788 137.885 -58.1578 110.426 -58.159 -2.50266 GPRESSURE: 1688400 -321.748 70.7528 107.432 95.8688 121.544 -65.7925 136.478 -70.447 112.202 PRESSAVG: 1688400 -24.9177 8.80109 2.46214 8.80109 -17.2895 -29.4999 2.46227 -29.4998 11.2728 GPRESSAVG: 1688400 -25.1843 9.71956 1.75675 7.56918 -16.4823 -31.0807 1.4802 -29.1778 10.8852 TIMING: 1688400 CPU: 5090.96, 0.00310391/step Wall: 5090.96, 0.00310391/step, 2.85526 hours remaining, 207.812500 MB of memory in use. ENERGY: 1688400 753.9343 2080.8004 1929.2759 107.1840 -205977.1236 17703.9006 0.0000 0.0000 34313.1505 -149088.8780 299.6653 -183402.0285 -148990.1371 299.3742 -61.6138 -29.3338 558078.3926 -10.3115 -10.2604 PRESSURE: 1688600 -60.8582 -95.7207 -19.4312 -95.7218 291.866 18.5239 -19.4306 18.5234 22.4585 GPRESSURE: 1688600 -34.1131 -241.724 44.6616 -11.8069 318.295 -2.16648 5.61183 9.76514 72.4046 PRESSAVG: 1688600 -15.5542 44.4136 -1.21188 44.4136 42.0407 -78.6475 -1.21191 -78.6476 -4.90153 GPRESSAVG: 1688600 -15.1593 44.6786 -2.69056 42.4422 42.1639 -77.8961 0.630386 -75.6172 -5.41144 TIMING: 1688600 CPU: 5091.57, 0.00303674/step Wall: 5091.57, 0.00303674/step, 2.7933 hours remaining, 208.015625 MB of memory in use. ENERGY: 1688600 750.8271 2041.7187 1934.3176 102.3886 -206475.1979 18048.8305 0.0000 0.0000 34315.4138 -149281.7016 299.6850 -183597.1154 -149181.1495 299.6115 84.4888 118.8623 556559.1074 7.1950 7.1977 PRESSURE: 1688800 -446.177 -35.1998 -71.0077 -35.2004 -357.862 63.9628 -71.0071 63.9645 -214.253 GPRESSURE: 1688800 -388.126 -44.0315 -3.10304 38.6029 -347.451 18.6548 -72.9744 44.8136 -170.693 PRESSAVG: 1688800 -56.6507 -17.8039 25.2781 -17.8039 108.119 -14.0461 25.278 -14.046 -32.6881 GPRESSAVG: 1688800 -56.1298 -18.5365 24.7684 -17.227 108.567 -14.2568 23.7627 -15.5559 -34.3107 TIMING: 1688800 CPU: 5092.18, 0.00304133/step Wall: 5092.18, 0.00304133/step, 2.79735 hours remaining, 208.015625 MB of memory in use. ENERGY: 1688800 773.1528 2097.5878 1939.2723 110.8117 -205524.9900 17221.5220 0.0000 0.0000 34167.1503 -149215.4931 298.3902 -183382.6435 -149122.4457 298.7797 -339.4307 -302.0904 558183.1745 6.2601 6.0421 PRESSURE: 1689000 -170.915 -19.6933 -8.381 -19.6938 -451.047 -49.8036 -8.37973 -49.8021 -238.435 GPRESSURE: 1689000 -149.687 -15.7008 -67.0071 -22.687 -462.193 -151.549 19.3172 -1.41328 -167.065 PRESSAVG: 1689000 18.2007 8.57644 19.2849 8.57646 -35.8521 -34.3616 19.2849 -34.3617 43.9527 GPRESSAVG: 1689000 17.3993 9.63731 21.573 10.1694 -35.6629 -33.7201 19.407 -33.3656 44.746 TIMING: 1689000 CPU: 5092.79, 0.00304136/step Wall: 5092.79, 0.00304136/step, 2.79721 hours remaining, 208.015625 MB of memory in use. ENERGY: 1689000 766.4060 2099.5837 1951.3111 124.5884 -205418.8035 17188.5470 0.0000 0.0000 34099.0206 -149189.3468 297.7952 -183288.3673 -149093.7919 299.7934 -286.7991 -259.6484 558091.8954 8.7671 8.8275 PRESSURE: 1689200 -104.099 30.9253 -81.8693 30.926 -68.51 -215.313 -81.8688 -215.31 -238.255 GPRESSURE: 1689200 26.3167 45.1596 -176.764 -25.0851 -89.7145 -92.5075 -48.4646 -306.502 -258.068 PRESSAVG: 1689200 12.103 24.465 -51.3524 24.465 -1.61704 -18.8878 -51.3523 -18.8878 30.6015 GPRESSAVG: 1689200 11.9175 25.6501 -52.9318 23.6089 -2.47246 -19.2553 -49.8143 -21.2713 31.4663 TIMING: 1689200 CPU: 5093.39, 0.00303818/step Wall: 5093.39, 0.00303818/step, 2.79411 hours remaining, 208.015625 MB of memory in use. ENERGY: 1689200 736.8279 2030.9301 1913.5432 104.8951 -205813.0766 17634.1246 0.0000 0.0000 34168.0013 -149224.7545 298.3977 -183392.7557 -149123.8636 298.6188 -136.9547 -107.1554 558296.3269 13.6958 13.6371 PRESSURE: 1689400 -48.752 167.068 30.0768 167.069 -210.414 97.9079 30.0765 97.9081 -173.545 GPRESSURE: 1689400 10.7195 209.335 26.3813 54.2016 -179.218 123.955 4.10337 44.766 -163.397 PRESSAVG: 1689400 -20.6718 92.015 33.855 92.0151 60.6252 -17.9042 33.8549 -17.9043 -22.7935 GPRESSAVG: 1689400 -21.4614 90.1865 33.9436 94.0963 62.0079 -16.838 33.8886 -19.149 -23.6946 TIMING: 1689400 CPU: 5094, 0.00304474/step Wall: 5094, 0.00304474/step, 2.79998 hours remaining, 208.015625 MB of memory in use. ENERGY: 1689400 732.8512 2105.5272 1915.3345 120.0446 -205825.1707 17569.5717 0.0000 0.0000 34362.4414 -149019.4001 300.0957 -183381.8416 -148924.7047 299.1556 -144.2370 -110.6318 558732.4278 5.7200 5.6173 PRESSURE: 1689600 -64.8113 5.37284 6.2692 5.37261 157.637 -2.80719 6.26784 -2.80629 79.7241 GPRESSURE: 1689600 -15.851 -57.1531 86.7971 90.4397 196.443 24.0563 0.825929 -102.675 67.393 PRESSAVG: 1689600 7.30474 55.7346 -24.1212 55.7346 46.9996 24.3308 -24.1212 24.3308 -29.8304 GPRESSAVG: 1689600 9.61276 56.9577 -22.9068 53.556 45.355 24.1918 -25.002 25.6348 -30.1332 TIMING: 1689600 CPU: 5094.61, 0.00302064/step Wall: 5094.61, 0.00302064/step, 2.77765 hours remaining, 208.015625 MB of memory in use. ENERGY: 1689600 741.8790 2091.8822 1943.2627 128.2472 -206065.6142 17806.9637 0.0000 0.0000 34401.0537 -148952.3256 300.4330 -183353.3793 -148861.3569 299.9207 57.5165 82.6618 557884.2218 8.1580 8.2782 PRESSURE: 1689800 40.3288 36.107 70.8982 36.1055 92.9126 -138.656 70.8987 -138.657 -0.724329 GPRESSURE: 1689800 100.291 37.49 73.9561 124.783 109.726 -109.653 104.924 -211.662 9.85784 PRESSAVG: 1689800 -13.3237 51.0936 11.8992 51.0936 -16.569 18.3793 11.8993 18.3793 20.8783 GPRESSAVG: 1689800 -14.9508 51.5668 11.6054 51.3438 -15.4596 18.1007 11.3962 17.1853 20.8822 TIMING: 1689800 CPU: 5095.21, 0.00299912/step Wall: 5095.21, 0.00299912/step, 2.75769 hours remaining, 208.015625 MB of memory in use. ENERGY: 1689800 701.8768 2046.9944 1939.0908 117.9008 -206392.1231 17903.1366 0.0000 0.0000 34464.0417 -149219.0821 300.9830 -183683.1238 -149125.1003 300.0183 44.1724 73.2914 557268.7105 -3.0048 -3.1761 PRESSURE: 1690000 59.3117 -41.1621 75.501 -41.1622 389.82 63.0161 75.4999 63.0168 261.192 GPRESSURE: 1690000 134.058 -51.9054 61.6796 -42.3268 406.268 79.5771 27.1828 71.1623 286.832 PRESSAVG: 1690000 -9.30135 -25.9934 -0.64967 -25.9933 31.5224 40.1116 -0.649694 40.1117 -21.1736 GPRESSAVG: 1690000 -9.1601 -27.2839 -1.49734 -24.8572 31.3709 40.7161 0.522731 40.864 -21.3293 TIMING: 1690000 CPU: 5095.81, 0.00301456/step Wall: 5095.81, 0.00301456/step, 2.77172 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: 1690000 731.3278 2042.7881 1928.6622 114.2759 -206183.6239 18184.6884 0.0000 0.0000 34140.5271 -149041.3544 298.1577 -183181.8815 -148940.3532 299.8292 236.7748 275.7196 558059.2650 0.3492 0.2938 PRESSURE: 1690200 101.307 78.0038 -94.329 78.0047 -23.5504 -17.9215 -94.3288 -17.9219 47.5441 GPRESSURE: 1690200 130.162 92.7559 -55.7292 112.237 -15.0614 58.3781 -92.2287 -65.2114 92.5525 PRESSAVG: 1690200 -25.9087 1.77123 27.7592 1.77124 41.2383 12.2474 27.7591 12.2475 -22.8833 GPRESSAVG: 1690200 -25.683 2.20456 27.8195 2.15168 41.0713 11.7196 26.941 12.6297 -23.0259 TIMING: 1690200 CPU: 5096.41, 0.00299205/step Wall: 5096.41, 0.00299205/step, 2.75086 hours remaining, 208.015625 MB of memory in use. ENERGY: 1690200 726.6612 2065.5901 1951.2191 121.4098 -206228.4317 17744.5764 0.0000 0.0000 34359.6814 -149259.2937 300.0716 -183618.9751 -149163.6249 300.0535 41.7670 69.2178 555579.4016 -2.5179 -2.5458 PRESSURE: 1690400 211.587 -16.0888 77.4838 -16.0887 136.526 67.938 77.4836 67.9395 -91.923 GPRESSURE: 1690400 279.929 -66.9701 40.2738 122.337 153.5 78.5499 99.8174 96.2632 -82.5611 PRESSAVG: 1690400 6.42806 -12.431 38.7251 -12.431 21.9484 1.37038 38.725 1.37048 -24.4265 GPRESSAVG: 1690400 5.89847 -12.9373 37.6792 -14.7796 21.2156 0.53914 38.7445 1.16097 -23.2301 TIMING: 1690400 CPU: 5097.01, 0.00300378/step Wall: 5097.01, 0.00300378/step, 2.76148 hours remaining, 208.015625 MB of memory in use. ENERGY: 1690400 751.6734 2033.9934 1952.5688 114.1168 -206572.4030 17908.4627 0.0000 0.0000 34411.1272 -149400.4608 300.5209 -183811.5880 -149311.3674 299.5901 85.3969 116.9561 556228.4066 1.3167 1.2947 PRESSURE: 1690600 313.141 71.4524 150.356 71.4519 47.4565 63.2194 150.354 63.2192 -155.526 GPRESSURE: 1690600 378.029 47.5047 143.225 -5.73026 81.647 38.995 101.995 29.8205 -158.787 PRESSAVG: 1690600 15.1114 14.0589 -10.5169 14.0589 -12.7226 29.3425 -10.5169 29.3426 -64.2791 GPRESSAVG: 1690600 15.2276 13.2975 -10.0364 15.5039 -11.9975 28.1098 -10.7006 29.37 -64.9158 TIMING: 1690600 CPU: 5097.61, 0.00298896/step Wall: 5097.61, 0.00298896/step, 2.74769 hours remaining, 208.015625 MB of memory in use. ENERGY: 1690600 748.7750 2079.9207 1942.9004 123.0903 -206272.0682 17931.2395 0.0000 0.0000 33976.5578 -149469.5845 296.7257 -183446.1424 -149371.9861 298.1351 68.3574 100.2961 557431.9370 -20.6301 -20.5619 PRESSURE: 1690800 90.7998 -66.8039 205.771 -66.8038 87.7179 67.0238 205.771 67.025 -83.5657 GPRESSURE: 1690800 111.594 -49.7499 228.148 -85.6072 140.722 32.703 77.2529 76.0754 -61.1961 PRESSAVG: 1690800 9.76852 18.7132 -36.5681 18.7132 39.1572 -4.98352 -36.5681 -4.98344 -26.0132 GPRESSAVG: 1690800 9.93772 20.2295 -36.6079 18.3925 40.1669 -4.82238 -36.3501 -5.17937 -27.547 TIMING: 1690800 CPU: 5098.21, 0.00300444/step Wall: 5098.21, 0.00300444/step, 2.76175 hours remaining, 208.015625 MB of memory in use. ENERGY: 1690800 728.4131 2066.8164 1967.6309 115.7490 -206713.7361 18108.2335 0.0000 0.0000 34299.6607 -149427.2325 299.5475 -183726.8932 -149327.6289 299.0539 31.6507 63.7067 557564.4198 7.6375 7.5192 PRESSURE: 1691000 9.96713 -43.5039 -74.6029 -43.5047 -321.852 -32.3728 -74.6024 -32.3717 -128.782 GPRESSURE: 1691000 28.5868 -3.61422 -176.721 -73.3411 -272.932 -27.7488 -77.3588 -80.1406 -96.4389 PRESSAVG: 1691000 34.2829 10.476 23.8122 10.4762 -20.9475 -66.6633 23.8122 -66.6634 -5.81779 GPRESSAVG: 1691000 33.4247 10.0369 23.8442 10.808 -21.0305 -66.2215 24.1158 -68.3173 -5.05181 TIMING: 1691000 CPU: 5098.81, 0.00301585/step Wall: 5098.81, 0.00301585/step, 2.77207 hours remaining, 208.015625 MB of memory in use. ENERGY: 1691000 760.1007 2116.5776 1953.8385 113.8234 -206429.2193 17845.1299 0.0000 0.0000 34288.5916 -149351.1576 299.4508 -183639.7493 -149251.4518 299.0791 -146.8891 -113.5946 558724.0963 2.5059 2.4475 PRESSURE: 1691200 72.365 -141.68 35.9955 -141.68 243.577 174.651 35.9956 174.65 60.3743 GPRESSURE: 1691200 121.558 -110.67 -27.8569 -89.2372 235.535 143.879 28.6212 266.042 104.999 PRESSAVG: 1691200 -48.4918 -21.9734 -23.7361 -21.9734 20.856 5.68184 -23.7361 5.68204 -5.72549 GPRESSAVG: 1691200 -47.6185 -20.1257 -23.6143 -22.6075 19.7516 4.78153 -23.3197 8.91844 -5.29247 TIMING: 1691200 CPU: 5099.41, 0.00299356/step Wall: 5099.41, 0.00299356/step, 2.75142 hours remaining, 208.015625 MB of memory in use. ENERGY: 1691200 756.2826 2093.1522 1943.8483 108.7519 -206500.9521 18065.5126 0.0000 0.0000 34026.7967 -149506.6077 297.1645 -183533.4044 -149403.3933 298.2965 125.4389 154.0308 556519.4564 -11.1204 -11.0531 PRESSURE: 1691400 -113.822 -85.6975 -73.9103 -85.6964 42.8286 115.384 -73.9101 115.384 -102.172 GPRESSURE: 1691400 -100.517 -59.1371 -84.589 -121.591 82.7911 185.876 -28.2497 116.095 -54.7123 PRESSAVG: 1691400 -8.47985 -54.7214 10.0712 -54.7214 50.5018 40.2225 10.0713 40.2225 -18.9365 GPRESSAVG: 1691400 -9.33355 -56.5909 9.82633 -54.294 50.5715 40.6275 7.88475 39.8518 -18.3681 TIMING: 1691400 CPU: 5100.01, 0.00300797/step Wall: 5100.01, 0.00300797/step, 2.76449 hours remaining, 208.015625 MB of memory in use. ENERGY: 1691400 755.4971 2098.7396 1952.7590 123.3125 -206370.1163 17915.3072 0.0000 0.0000 34044.1716 -149480.3294 297.3162 -183524.5010 -149385.7717 298.7745 -57.7218 -24.1460 557961.3232 7.6951 7.6233 PRESSURE: 1691600 31.0502 67.6934 -111.424 67.6941 206.213 55.8762 -111.425 55.8765 49.9469 GPRESSURE: 1691600 107.651 3.158 -65.2012 77.455 191.757 77.1027 -92.3163 123.237 89.0858 PRESSAVG: 1691600 -72.2798 -29.8228 -27.1029 -29.8228 60.8183 -9.08599 -27.1029 -9.08593 14.8029 GPRESSAVG: 1691600 -71.0374 -29.2753 -26.3334 -29.6777 59.7456 -7.8176 -27.7013 -9.83258 14.0198 TIMING: 1691600 CPU: 5100.61, 0.00301616/step Wall: 5100.61, 0.00301616/step, 2.77185 hours remaining, 208.015625 MB of memory in use. ENERGY: 1691600 725.5470 2016.3151 1915.3791 97.9871 -206180.7554 17851.0917 0.0000 0.0000 34145.4915 -149428.9439 298.2011 -183574.4354 -149327.1985 298.3418 95.7366 129.4979 556316.3057 1.1138 0.9093 PRESSURE: 1691800 -46.3173 82.9395 -65.2425 82.9395 -410.169 104.302 -65.2427 104.303 -304.312 GPRESSURE: 1691800 -20.3212 123.601 20.1926 46.1438 -433.676 137.665 -68.3418 49.2486 -227.636 PRESSAVG: 1691800 12.631 -1.70176 14.9817 -1.70169 -10.3931 -2.42582 14.9816 -2.4258 -29.6103 GPRESSAVG: 1691800 12.2115 -1.33649 15.0571 -2.91195 -9.81911 -2.04385 16.871 -4.32809 -30.532 TIMING: 1691800 CPU: 5101.22, 0.00302258/step Wall: 5101.22, 0.00302258/step, 2.77758 hours remaining, 208.015625 MB of memory in use. ENERGY: 1691800 755.0919 2047.4646 1932.3184 114.9515 -205997.7898 17496.8556 0.0000 0.0000 34148.4053 -149502.7025 298.2265 -183651.1079 -149406.0792 298.8625 -253.5993 -227.2108 557946.6879 -9.1241 -9.3799 PRESSURE: 1692000 -97.7804 -63.5455 89.2125 -63.5455 219.961 -106.333 89.2123 -106.333 92.4796 GPRESSURE: 1692000 -0.119918 -130.051 49.0681 -15.7681 257.44 -97.5523 64.6775 -27.6348 74.4117 PRESSAVG: 1692000 54.0702 -22.3584 27.7442 -22.3585 23.0868 14.0943 27.7443 14.0943 -22.4186 GPRESSAVG: 1692000 54.9076 -24.9473 28.2319 -18.8067 22.1282 11.3171 28.1752 17.1337 -22.8137 TIMING: 1692000 CPU: 5101.83, 0.00305535/step Wall: 5101.83, 0.00305535/step, 2.80752 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: 1692000 749.1132 2004.5231 1956.0354 107.9992 -206804.4389 18047.8300 0.0000 0.0000 34347.7977 -149591.1402 299.9679 -183938.9379 -149491.2716 297.8700 71.5533 110.5771 557391.9357 18.2461 18.0740 PRESSURE: 1692200 4.52997 75.9368 79.3142 75.9363 155.318 -28.7234 79.3143 -28.7221 110.283 GPRESSURE: 1692200 35.1155 167.073 51.4631 -11.255 174.578 -1.3324 -3.01773 -67.7083 162.431 PRESSAVG: 1692200 -30.8525 -26.351 69.0133 -26.351 18.6871 1.3863 69.0133 1.38642 36.6623 GPRESSAVG: 1692200 -31.786 -25.1688 68.7162 -28.0342 18.2898 0.583126 70.4905 0.512291 37.4299 TIMING: 1692200 CPU: 5102.44, 0.00304938/step Wall: 5102.44, 0.00304939/step, 2.80188 hours remaining, 208.015625 MB of memory in use. ENERGY: 1692200 723.6412 2115.5887 1915.3111 116.3646 -206651.8017 18022.2442 0.0000 0.0000 34176.2448 -149582.4071 298.4696 -183758.6519 -149488.5330 298.2734 90.0437 124.0412 557337.3853 8.1656 7.9779 LDB: ============= START OF LOAD BALANCING ============== 5105.96 LDB: ============== END OF LOAD BALANCING =============== 5105.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5105.96 LDB: ============= START OF LOAD BALANCING ============== 5106.26 LDB: Largest compute 4800 load 0.032462 is 27.5% of average load 0.118000 LDB: Average compute 0.001753 is 1.5% of average load 0.118000 LDB: TIME 5106.26 LOAD: AVG 0.118 MAX 0.212977 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.129 MB LDB: TIME 5106.26 LOAD: AVG 0.118 MAX 0.212977 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.199 MB LDB: TIME 5106.26 LOAD: AVG 0.118 MAX 0.212977 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.199 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5106.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5106.27 PRESSURE: 1692400 75.2609 -79.8159 12.0029 -79.8164 -45.8809 158.563 12.0042 158.563 68.704 GPRESSURE: 1692400 103.55 -4.67908 16.1959 -87.432 -27.4389 147.964 -64.3768 154.511 121.576 PRESSAVG: 1692400 -1.54838 40.5497 21.0951 40.5496 5.0445 33.5688 21.0952 33.5688 -43.6448 GPRESSAVG: 1692400 -1.81588 39.42 20.356 40.3826 5.49912 36.1805 19.6473 30.2175 -44.5896 TIMING: 1692400 CPU: 5103.05, 0.00305392/step Wall: 5103.05, 0.00305392/step, 2.80588 hours remaining, 208.914062 MB of memory in use. ENERGY: 1692400 716.2025 2047.7656 1957.1707 107.0581 -206513.1554 17938.2275 0.0000 0.0000 34021.5755 -149725.1555 297.1189 -183746.7311 -149633.3290 298.5908 32.6947 65.8960 556711.2433 -13.3829 -13.6354 PRESSURE: 1692600 -96.6768 -181.642 62.4163 -181.642 -144.013 70.1198 62.4158 70.1172 65.7322 GPRESSURE: 1692600 -115.532 -241.345 97.9919 -151.613 -55.4489 75.1865 44.8247 72.2625 95.8089 PRESSAVG: 1692600 -23.5165 -19.6112 -47.2245 -19.6113 69.7319 10.0161 -47.2244 10.0161 -45.0612 GPRESSAVG: 1692600 -24.3256 -15.9784 -46.0451 -20.4164 69.7523 10.4236 -46.062 11.9549 -44.5231 TIMING: 1692600 CPU: 5103.65, 0.00299241/step Wall: 5103.65, 0.00299241/step, 2.74919 hours remaining, 208.914062 MB of memory in use. ENERGY: 1692600 774.1288 2046.2074 1905.9779 111.9476 -206547.8476 17931.0881 0.0000 0.0000 34048.4950 -149730.0027 297.3540 -183778.4978 -149629.6767 298.0073 -58.3192 -25.0575 556598.1523 0.3848 0.3012 PRESSURE: 1692800 38.548 91.2227 -123.297 91.2242 156.216 15.4298 -123.297 15.4308 130.522 GPRESSURE: 1692800 122.777 126.829 -135.183 28.7267 159.101 23.2412 -80.4034 96.5301 134.442 PRESSAVG: 1692800 -16.5687 -60.0456 -11.2424 -60.0456 -4.61156 6.86259 -11.2424 6.86266 70.4973 GPRESSAVG: 1692800 -16.0635 -62.401 -11.4022 -59.837 -4.88149 7.57262 -11.6493 5.77032 69.6723 TIMING: 1692800 CPU: 5104.25, 0.00301448/step Wall: 5104.25, 0.00301448/step, 2.7693 hours remaining, 208.914062 MB of memory in use. ENERGY: 1692800 743.4160 2102.8215 1930.8450 109.6265 -206423.3597 17970.4542 0.0000 0.0000 34000.6873 -149565.5092 296.9365 -183566.1965 -149472.7377 297.7321 108.4286 138.7737 557967.4862 16.4390 16.2424 PRESSURE: 1693000 107.75 -169.242 -37.3404 -169.243 227.339 -72.3249 -37.3418 -72.3259 -57.9391 GPRESSURE: 1693000 106.849 -123.812 -70.7064 -223.363 236.925 -93.1391 12.6046 -130.935 27.5087 PRESSAVG: 1693000 39.4003 -58.8902 6.50625 -58.8902 1.57283 -0.942463 6.50624 -0.942503 -53.8617 GPRESSAVG: 1693000 39.2724 -58.9667 4.936 -59.4001 1.04562 -2.71941 6.45145 0.407779 -53.4141 TIMING: 1693000 CPU: 5104.86, 0.0030249/step Wall: 5104.86, 0.0030249/step, 2.7787 hours remaining, 208.914062 MB of memory in use. ENERGY: 1693000 720.9871 2116.1186 1905.5846 103.3724 -206346.9287 17821.7557 0.0000 0.0000 34060.0793 -149619.0311 297.4551 -183679.1103 -149519.8793 297.5716 92.3833 123.7608 557571.4592 -4.2962 -4.3653 PRESSURE: 1693200 -370.611 66.002 64.8897 66.0012 117.643 142.645 64.8903 142.647 -57.8806 GPRESSURE: 1693200 -339.683 23.0555 89.6312 41.2468 195.239 177.89 9.7757 65.7568 -59.7339 PRESSAVG: 1693200 18.2298 -6.73873 39.1795 -6.73873 43.2719 -29.3321 39.1794 -29.332 -29.7332 GPRESSAVG: 1693200 18.8831 -4.85843 40.8391 -10.4557 42.4944 -30.4156 38.0066 -28.2919 -29.9203 TIMING: 1693200 CPU: 5105.45, 0.00298695/step Wall: 5105.45, 0.00298695/step, 2.74368 hours remaining, 208.914062 MB of memory in use. ENERGY: 1693200 742.8166 2124.5185 1911.5515 117.1983 -206765.0769 18019.7701 0.0000 0.0000 34242.6468 -149606.5750 299.0496 -183849.2218 -149502.5003 298.2539 -103.6163 -68.0594 558832.2425 10.5895 10.4857 PRESSURE: 1693400 -141.266 -206.829 -8.87889 -206.828 156.664 -5.18621 -8.8801 -5.18866 -96.4439 GPRESSURE: 1693400 -82.3722 -236.926 -2.67974 -251.792 171.942 104.107 54.1376 -29.3911 -68.6208 PRESSAVG: 1693400 -18.0097 -53.6747 45.3815 -53.6746 55.2264 6.61639 45.3816 6.61649 -18.3839 GPRESSAVG: 1693400 -17.9801 -55.0582 44.2452 -49.8254 55.8092 9.72414 45.9887 5.45218 -18.8602 TIMING: 1693400 CPU: 5106.06, 0.00300689/step Wall: 5106.06, 0.00300689/step, 2.76183 hours remaining, 208.914062 MB of memory in use. ENERGY: 1693400 755.0281 2101.7574 1929.6879 120.2863 -206440.0524 17920.5159 0.0000 0.0000 34249.5701 -149363.2068 299.1100 -183612.7769 -149268.0700 298.8933 -27.0151 6.9831 558318.3130 6.2776 6.3230 PRESSURE: 1693600 192.907 -14.3426 -0.382892 -14.3428 -36.6622 49.6319 -0.382885 49.6313 -138.144 GPRESSURE: 1693600 239.83 94.36 23.8986 18.6399 0.953143 73.0801 -34.8498 73.2754 -115.795 PRESSAVG: 1693600 50.0523 -43.4271 11.6337 -43.4271 17.3221 11.2748 11.6338 11.2748 -64.8154 GPRESSAVG: 1693600 49.6299 -41.9901 13.8911 -44.8746 17.0261 9.52934 11.9283 12.1558 -63.9872 TIMING: 1693600 CPU: 5106.66, 0.00302284/step Wall: 5106.66, 0.00302284/step, 2.77631 hours remaining, 208.914062 MB of memory in use. ENERGY: 1693600 737.0975 2106.3750 1936.7545 116.6654 -206418.1047 17918.3927 0.0000 0.0000 34206.3011 -149396.5184 298.7321 -183602.8195 -149296.3030 298.9436 6.0336 41.6625 556607.8789 0.8530 0.8896 PRESSURE: 1693800 107.989 -71.737 96.1945 -71.7371 93.7004 127.068 96.1949 127.067 34.7076 GPRESSURE: 1693800 147.08 -51.0831 20.2982 -38.8003 143.94 275.354 165.134 67.3272 44.1844 PRESSAVG: 1693800 -28.333 -27.5048 44.8514 -27.5048 44.8806 62.0517 44.8514 62.0518 -57.2635 GPRESSAVG: 1693800 -28.5691 -29.9377 44.4196 -26.5544 45.3127 61.2427 44.0527 62.7516 -57.6794 TIMING: 1693800 CPU: 5107.27, 0.00303281/step Wall: 5107.27, 0.00303281/step, 2.7853 hours remaining, 208.914062 MB of memory in use. ENERGY: 1693800 761.8568 2098.5553 1934.7956 114.9745 -206530.1999 17974.8131 0.0000 0.0000 34252.8315 -149392.3731 299.1385 -183645.2046 -149297.3561 299.2116 78.7990 111.7348 556440.9975 -13.5720 -13.6453 PRESSURE: 1694000 90.4338 -87.2774 50.63 -87.2772 -248.687 -89.8699 50.6306 -89.8707 203.94 GPRESSURE: 1694000 167.193 -76.6775 141.304 -183.67 -253.234 -81.0004 70.6631 -66.5911 227.179 PRESSAVG: 1694000 92.7083 -20.8683 43.4858 -20.8682 -9.16645 43.4863 43.4858 43.4863 -30.1094 GPRESSAVG: 1694000 91.7652 -18.0338 44.5817 -21.0393 -9.82597 44.1972 42.3061 43.0632 -28.5333 TIMING: 1694000 CPU: 5107.87, 0.00300325/step Wall: 5107.87, 0.00300325/step, 2.75799 hours remaining, 208.914062 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: 1694000 754.2269 2188.1044 1930.0727 109.5291 -206378.4293 17734.4075 0.0000 0.0000 34158.9044 -149503.1843 298.3182 -183662.0887 -149403.1997 299.3227 15.2289 47.0463 554769.3596 17.8108 17.8020 PRESSURE: 1694200 84.4852 99.8428 151.77 99.8421 -104.115 150.526 151.769 150.524 -100.243 GPRESSURE: 1694200 97.5092 130.196 21.0853 62.9644 -75.9299 140.334 270.838 174.033 -26.2946 PRESSAVG: 1694200 -34.1721 12.1543 -33.7218 12.1544 -10.8032 -2.58037 -33.7218 -2.58035 -1.78395 GPRESSAVG: 1694200 -33.9362 11.1589 -34.0258 12.7626 -9.01163 -1.17016 -31.9467 -5.22447 -3.86459 TIMING: 1694200 CPU: 5108.47, 0.00301671/step Wall: 5108.47, 0.00301671/step, 2.77018 hours remaining, 208.914062 MB of memory in use. ENERGY: 1694200 761.0793 2072.9292 1920.9221 113.2664 -206337.5192 17639.3845 0.0000 0.0000 34376.6391 -149453.2986 300.2197 -183829.9376 -149358.5635 299.2922 -39.9578 -1.5718 554154.0559 -15.5864 -15.6041 PRESSURE: 1694400 140.439 -53.901 -102.157 -53.9017 113.811 -89.5303 -102.158 -89.5298 -32.1868 GPRESSURE: 1694400 193.542 -62.0839 -85.6814 -16.4221 149.733 33.5604 -8.05673 -96.7523 -19.5169 PRESSAVG: 1694400 -2.83168 33.508 -27.1728 33.508 8.4032 7.5819 -27.1727 7.58182 23.4068 GPRESSAVG: 1694400 -1.80185 35.017 -27.2964 33.9754 6.95046 5.59111 -27.0316 11.5026 23.4881 TIMING: 1694400 CPU: 5109.08, 0.00306198/step Wall: 5109.08, 0.00306198/step, 2.81157 hours remaining, 208.914062 MB of memory in use. ENERGY: 1694400 755.9500 2117.5877 1928.7359 141.2171 -206570.4023 18028.9058 0.0000 0.0000 34169.5838 -149428.4220 298.4115 -183598.0058 -149336.6824 299.4529 74.0212 107.9195 555138.0127 9.6594 9.5456 PRESSURE: 1694600 -183.858 -35.2731 -168.418 -35.2732 47.0411 -22.277 -168.419 -22.2766 -82.3359 GPRESSURE: 1694600 -164.782 -123.36 -154.957 -1.11604 80.8881 18.0023 -235.093 -89.8614 -50.5481 PRESSAVG: 1694600 -39.2821 -6.93338 -31.4294 -6.93341 32.266 -16.4245 -31.4294 -16.4245 4.64384 GPRESSAVG: 1694600 -40.9309 -7.37816 -32.6917 -7.77753 32.2757 -14.5974 -33.5478 -18.5609 5.79718 TIMING: 1694600 CPU: 5109.69, 0.00304214/step Wall: 5109.69, 0.00304214/step, 2.79319 hours remaining, 208.914062 MB of memory in use. ENERGY: 1694600 739.3687 2098.4969 1926.3109 121.2189 -206181.9958 17636.2818 0.0000 0.0000 34276.9656 -149383.3530 299.3493 -183660.3186 -149293.4852 298.9175 -73.0508 -44.8138 556692.0901 -0.7907 -0.9527 PRESSURE: 1694800 123.247 -107.874 -17.4432 -107.874 341.428 50.0105 -17.4433 50.0103 114.463 GPRESSURE: 1694800 110.311 -74.9395 4.66509 -106.595 389.02 70.3377 -95.1401 18.0489 182.497 PRESSAVG: 1694800 -19.0565 28.8442 -59.9128 28.8441 -2.21007 16.3884 -59.9129 16.3884 1.15284 GPRESSAVG: 1694800 -18.4075 30.3696 -57.4509 27.2668 -1.89782 17.3772 -57.5844 15.933 0.237256 TIMING: 1694800 CPU: 5110.3, 0.00302655/step Wall: 5110.3, 0.00302655/step, 2.77871 hours remaining, 208.914062 MB of memory in use. ENERGY: 1694800 745.9339 2103.7363 1926.1862 112.0121 -206822.6961 18127.6424 0.0000 0.0000 34219.1831 -149588.0021 298.8446 -183807.1852 -149495.2775 298.5795 193.0463 227.2760 555852.8761 -6.7046 -6.6894 PRESSURE: 1695000 184.142 100.295 82.9368 100.293 -64.3675 93.2324 82.9371 93.2336 50.3236 GPRESSURE: 1695000 144.417 85.0975 99.0492 133.81 15.8166 122.984 4.79003 75.9119 106.528 PRESSAVG: 1695000 -12.7702 -10.8522 -8.85418 -10.8522 -0.871186 31.1017 -8.85421 31.1017 32.6824 GPRESSAVG: 1695000 -13.3377 -14.5358 -8.40132 -8.5101 -0.776576 29.7005 -8.5644 31.1263 32.8186 TIMING: 1695000 CPU: 5110.9, 0.00300757/step Wall: 5110.9, 0.00300757/step, 2.76112 hours remaining, 208.914062 MB of memory in use. ENERGY: 1695000 757.0209 2125.5039 1932.6576 97.9510 -206339.8360 17818.6366 0.0000 0.0000 34224.9129 -149383.1531 298.8947 -183608.0660 -149290.7759 299.3625 56.6995 88.9205 555531.1898 6.3470 6.2348 PRESSURE: 1695200 -66.8741 -18.9614 163.748 -18.9616 -181.762 -101.964 163.75 -101.964 -31.3008 GPRESSURE: 1695200 -0.34646 -22.6376 190.276 73.3723 -133.894 -34.8885 109.432 -94.7284 -39.8751 PRESSAVG: 1695200 21.889 -20.7269 -0.837302 -20.7269 -31.6186 54.8031 -0.837253 54.8031 31.3337 GPRESSAVG: 1695200 21.0209 -20.2152 -3.70108 -22.9528 -31.6893 53.8586 -0.515206 57.8489 32.0136 TIMING: 1695200 CPU: 5111.5, 0.00300596/step Wall: 5111.5, 0.00300596/step, 2.75947 hours remaining, 209.117188 MB of memory in use. ENERGY: 1695200 732.4427 2071.6901 1928.1395 101.0325 -206177.2565 17724.6017 0.0000 0.0000 34044.3382 -149575.0117 297.3177 -183619.3500 -149479.6016 298.7584 -93.3124 -58.0385 557374.0904 7.2014 7.1151 PRESSURE: 1695400 134.653 59.6676 -95.6073 59.6696 -268.043 -20.4217 -95.6078 -20.4214 75.7767 GPRESSURE: 1695400 152.973 181.229 -38.8182 -22.5024 -206.511 -35.924 -119.116 15.8157 94.3182 PRESSAVG: 1695400 59.4162 -4.83419 -25.1554 -4.83416 -80.8483 23.7124 -25.1555 23.7125 -16.6195 GPRESSAVG: 1695400 59.6635 -4.29001 -24.2199 -2.15324 -80.8829 21.9959 -26.5343 21.8037 -16.5504 TIMING: 1695400 CPU: 5112.1, 0.00301301/step Wall: 5112.1, 0.00301301/step, 2.76578 hours remaining, 209.117188 MB of memory in use. ENERGY: 1695400 752.1667 2116.4494 1924.0239 100.2322 -206360.3375 17696.0420 0.0000 0.0000 34278.4131 -149493.0102 299.3619 -183771.4233 -149396.8185 297.8707 -19.2045 13.5932 556545.2908 -12.6839 -12.5899 PRESSURE: 1695600 -27.6314 180.194 -45.3355 180.193 -320.705 115.057 -45.3354 115.058 -31.491 GPRESSURE: 1695600 74.6232 173.223 -44.163 131.029 -336.312 124.818 11.5866 130.143 -17.206 PRESSAVG: 1695600 37.626 62.2898 20.0358 62.2898 4.1721 24.3329 20.0359 24.3329 -31.8016 GPRESSAVG: 1695600 38.0815 59.9062 20.2575 62.3039 4.99789 25.5645 20.9085 25.336 -32.9574 TIMING: 1695600 CPU: 5112.7, 0.00299915/step Wall: 5112.7, 0.00299915/step, 2.75288 hours remaining, 209.117188 MB of memory in use. ENERGY: 1695600 785.3390 2049.8234 1915.6872 114.3606 -205975.6574 17618.8302 0.0000 0.0000 34144.8165 -149346.8004 298.1952 -183491.6169 -149254.3071 299.3813 -126.6091 -92.9650 556119.7182 3.3322 3.3740 PRESSURE: 1695800 -156.008 -112.199 24.4882 -112.198 -42.4686 90.6462 24.4891 90.6488 -247.54 GPRESSURE: 1695800 -104.033 -95.0091 -1.91421 -130.916 -63.2986 65.7963 -5.49338 132.618 -176.899 PRESSAVG: 1695800 51.33 22.8423 26.9571 22.8423 -30.1781 6.95627 26.957 6.95623 -8.38111 GPRESSAVG: 1695800 51.9502 24.4413 26.0264 22.3994 -30.7429 7.07563 26.4981 5.33012 -8.55665 TIMING: 1695800 CPU: 5113.3, 0.00297826/step Wall: 5113.3, 0.00297826/step, 2.73355 hours remaining, 209.117188 MB of memory in use. ENERGY: 1695800 749.4957 2052.4659 1938.9962 98.7672 -206080.3199 17615.3099 0.0000 0.0000 34310.5588 -149314.7262 299.6426 -183625.2851 -149219.7722 299.3717 -148.6721 -114.7434 557553.8260 4.2570 4.2169 PRESSURE: 1696000 -155.482 -112.858 52.2714 -112.859 -102.789 56.4116 52.2712 56.4088 1.23371 GPRESSURE: 1696000 -126.06 -180.665 127.971 -112.246 -22.0222 33.245 19.2226 143.783 -9.59924 PRESSAVG: 1696000 35.7457 -15.0529 -1.25663 -15.0529 -80.7426 42.1267 -1.25658 42.1266 46.9638 GPRESSAVG: 1696000 35.8639 -14.4571 -1.4424 -16.0954 -81.5943 44.5818 -2.09081 41.2288 47.9752 TIMING: 1696000 CPU: 5113.9, 0.003002/step Wall: 5113.9, 0.003002/step, 2.75517 hours remaining, 209.117188 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: 1696000 718.5851 2069.6656 1927.3455 104.8353 -205941.3863 17629.2670 0.0000 0.0000 34174.5529 -149317.1350 298.4549 -183491.6879 -149223.8191 298.9944 -85.6791 -52.5606 557507.0514 0.6556 0.7483 PRESSURE: 1696200 -69.2756 -44.7286 -124.367 -44.7288 99.2683 -95.4214 -124.37 -95.4215 3.26766 GPRESSURE: 1696200 -56.0745 -25.3418 -101.028 -52.8941 135.598 -151 -151.215 -135.11 53.0189 PRESSAVG: 1696200 -30.7052 -54.3192 -10.6858 -54.3192 -7.31267 27.1868 -10.6858 27.1867 -8.97038 GPRESSAVG: 1696200 -31.1549 -53.954 -9.86089 -54.2665 -5.88087 27.081 -9.45294 25.9929 -10.1637 TIMING: 1696200 CPU: 5114.49, 0.00298006/step Wall: 5114.49, 0.00298006/step, 2.73487 hours remaining, 209.117188 MB of memory in use. ENERGY: 1696200 763.1689 2102.7254 1966.0677 113.6792 -206383.7641 17803.7757 0.0000 0.0000 34484.0972 -149150.2498 301.1582 -183634.3471 -149048.4232 299.0546 11.0868 44.1808 555960.4016 -15.6627 -15.7331 LDB: ============= START OF LOAD BALANCING ============== 5118.01 LDB: ============== END OF LOAD BALANCING =============== 5118.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5118.01 LDB: ============= START OF LOAD BALANCING ============== 5118.31 LDB: Largest compute 4800 load 0.032550 is 27.6% of average load 0.118003 LDB: Average compute 0.001745 is 1.5% of average load 0.118003 LDB: TIME 5118.31 LOAD: AVG 0.118003 MAX 0.209861 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.141 MB LDB: TIME 5118.31 LOAD: AVG 0.118003 MAX 0.209861 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.199 MB LDB: TIME 5118.31 LOAD: AVG 0.118003 MAX 0.209861 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.199 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5118.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5118.32 PRESSURE: 1696400 -125.349 24.5586 124.851 24.5582 -116.964 -113.818 124.852 -113.818 -201.62 GPRESSURE: 1696400 -114.21 46.3961 54.8649 -19.1695 -56.5861 -105.124 127.708 -181.028 -176.107 PRESSAVG: 1696400 62.8291 -13.7377 -11.2705 -13.7378 -56.5105 -66.9 -11.2704 -66.9 -21.7351 GPRESSAVG: 1696400 62.0425 -14.3899 -10.9087 -13.6482 -57.1963 -67.5323 -11.9498 -64.8351 -20.284 TIMING: 1696400 CPU: 5115.1, 0.00303882/step Wall: 5115.1, 0.00303882/step, 2.78863 hours remaining, 207.246094 MB of memory in use. ENERGY: 1696400 765.0778 2115.6660 1934.8987 114.1896 -205686.1098 17563.1340 0.0000 0.0000 34197.4066 -148995.7371 298.6545 -183193.1437 -148903.4476 299.8626 -147.9775 -115.6346 558175.6532 -5.1388 -5.1459 PRESSURE: 1696600 27.5243 149.159 -92.6608 149.159 296.373 93.2424 -92.6622 93.2432 -76.3699 GPRESSURE: 1696600 53.3496 163.236 -109.482 89.1225 309.824 57.4222 -142.53 94.8455 -17.4921 PRESSAVG: 1696600 24.422 10.3606 -19.8159 10.3607 7.25549 -25.9461 -19.8159 -25.9461 -30.5271 GPRESSAVG: 1696600 24.0511 11.0706 -19.5234 10.4363 9.56239 -26.8912 -18.9388 -26.3385 -32.3427 TIMING: 1696600 CPU: 5115.7, 0.00300148/step Wall: 5115.7, 0.00300148/step, 2.75419 hours remaining, 207.246094 MB of memory in use. ENERGY: 1696600 765.6792 2149.4924 1909.1809 110.1270 -206670.3020 18287.7586 0.0000 0.0000 34415.0877 -149032.9762 300.5555 -183448.0639 -148934.7479 300.0899 82.5091 115.2273 558434.8606 0.3834 0.4236 PRESSURE: 1696800 -27.3782 -199.96 -70.7937 -199.959 -107.367 -102.797 -70.7932 -102.796 -41.3701 GPRESSURE: 1696800 -14.5408 -263.302 -53.555 -247.619 -10.2112 -215.803 -139.23 -81.5405 -54.614 PRESSAVG: 1696800 41.6433 1.65094 13.3571 1.65105 -52.2338 -59.6976 13.3572 -59.6976 2.60769 GPRESSAVG: 1696800 41.442 2.77722 11.8872 0.866156 -53.9284 -60.4508 12.0133 -58.4294 4.11887 TIMING: 1696800 CPU: 5116.3, 0.00298027/step Wall: 5116.3, 0.00298027/step, 2.73457 hours remaining, 207.246094 MB of memory in use. ENERGY: 1696800 744.9733 2102.0638 1935.4554 108.5558 -205997.9493 17779.0887 0.0000 0.0000 34457.1085 -148870.7038 300.9225 -183327.8123 -148772.7157 300.2939 -58.7050 -26.4554 559256.9941 -2.6609 -2.7892 PRESSURE: 1697000 -46.9405 109.516 -130.834 109.516 -65.3587 -176.263 -130.834 -176.263 -194.594 GPRESSURE: 1697000 -15.4298 90.6423 -139.825 115.333 -24.2788 -195.173 -136.315 -81.7611 -177.742 PRESSAVG: 1697000 -35.2476 -28.7744 18.5984 -28.7745 3.90821 -26.2982 18.5984 -26.2981 30.8962 GPRESSAVG: 1697000 -34.9378 -27.9896 18.6502 -27.9807 3.77901 -25.3778 19.6904 -27.2751 30.8778 TIMING: 1697000 CPU: 5116.9, 0.00301393/step Wall: 5116.9, 0.00301393/step, 2.76529 hours remaining, 207.246094 MB of memory in use. ENERGY: 1697000 740.2595 2099.4922 1917.8981 121.7023 -205829.4442 17619.5305 0.0000 0.0000 34336.4736 -148994.0879 299.8690 -183330.5616 -148896.0724 300.1794 -102.2978 -72.4836 558675.4246 -0.1477 -0.0936 PRESSURE: 1697200 138.741 -11.5742 -87.6462 -11.5759 217.333 116.645 -87.6467 116.644 59.7277 GPRESSURE: 1697200 183.239 85.0886 -122.78 -60.2757 246.018 170.957 -111.649 108.397 82.6217 PRESSAVG: 1697200 -23.188 2.35117 -33.9601 2.35119 -22.7921 14.7269 -33.9601 14.7268 7.21914 GPRESSAVG: 1697200 -23.31 2.90934 -33.6922 1.51726 -22.8695 15.6233 -32.9414 15.3505 7.26678 TIMING: 1697200 CPU: 5117.5, 0.00301721/step Wall: 5117.5, 0.00301721/step, 2.76813 hours remaining, 207.246094 MB of memory in use. ENERGY: 1697200 752.5150 2116.5372 1930.5790 114.3122 -206076.9342 17963.6397 0.0000 0.0000 34235.1769 -148964.1742 298.9843 -183199.3511 -148866.6533 299.9674 138.6005 170.6262 559386.4935 -12.9203 -12.9709 PRESSURE: 1697400 184.36 -119.728 55.3867 -119.728 -6.98847 -120.745 55.388 -120.744 181.183 GPRESSURE: 1697400 191.905 -160.187 50.7072 -114.205 71.9512 -85.8766 93.0525 -34.9117 182.991 PRESSAVG: 1697400 27.818 4.12059 29.0857 4.12055 21.165 26.125 29.0857 26.1249 -40.7779 GPRESSAVG: 1697400 28.8018 2.85432 27.6639 4.00331 20.7364 24.0499 28.788 26.816 -41.306 TIMING: 1697400 CPU: 5118.11, 0.00301814/step Wall: 5118.11, 0.00301814/step, 2.76881 hours remaining, 207.246094 MB of memory in use. ENERGY: 1697400 760.7947 2095.3956 1933.8995 113.2605 -206300.4853 18003.6731 0.0000 0.0000 34376.1388 -149017.3231 300.2154 -183393.4619 -148919.4494 299.8574 119.5180 148.9493 559128.4619 2.7350 2.7441 PRESSURE: 1697600 367.697 -123.1 33.0338 -123.1 142.988 71.5302 33.0351 71.5315 301.042 GPRESSURE: 1697600 376.886 -149.887 -66.402 -155.26 147.406 64.6308 10.2945 116.121 374.316 PRESSAVG: 1697600 67.7115 -22.383 62.1836 -22.3831 -27.9511 16.6202 62.1838 16.6201 -13.2973 GPRESSAVG: 1697600 67.6422 -23.9544 63.3791 -21.7906 -28.1641 19.3373 59.9157 12.3649 -13.1649 TIMING: 1697600 CPU: 5118.71, 0.00300306/step Wall: 5118.71, 0.00300306/step, 2.75481 hours remaining, 207.246094 MB of memory in use. ENERGY: 1697600 774.1199 2107.3175 1960.0608 108.3471 -206790.5700 18382.9754 0.0000 0.0000 34281.3003 -149176.4490 299.3871 -183457.7493 -149080.8455 299.4505 270.5758 299.5361 557111.0369 8.8211 8.7710 PRESSURE: 1697800 -255.698 -48.096 -10.4624 -48.0967 136.907 144.159 -10.4623 144.16 -77.0666 GPRESSURE: 1697800 -215.471 -53.0917 25.1786 -72.9857 176.802 44.1612 -85.1147 159.121 -51.6154 PRESSAVG: 1697800 -55.7552 -34.9931 43.3763 -34.9931 -30.8351 63.8225 43.3763 63.8225 30.6173 GPRESSAVG: 1697800 -56.4541 -34.6167 45.7134 -34.3914 -30.021 62.0254 42.6119 65.4585 30.4796 TIMING: 1697800 CPU: 5119.31, 0.00298673/step Wall: 5119.31, 0.00298673/step, 2.73966 hours remaining, 207.246094 MB of memory in use. ENERGY: 1697800 764.6003 2054.8126 1924.6485 114.0701 -206199.6472 17815.1710 0.0000 0.0000 34113.0776 -149413.2671 297.9180 -183526.3447 -149321.8411 298.9791 -65.2857 -30.0949 557865.0673 -18.6577 -18.6652 PRESSURE: 1698000 -277.946 -160.108 -34.8572 -160.108 -109.124 66.4862 -34.8571 66.4861 -346.436 GPRESSURE: 1698000 -230.75 -105.555 -84.952 -130.72 -101.222 131.486 29.5677 15.266 -303.26 PRESSAVG: 1698000 -10.0964 -8.91854 -24.9438 -8.9185 -25.2209 43.4746 -24.9438 43.4745 23.8069 GPRESSAVG: 1698000 -9.13422 -9.3378 -26.9574 -7.44116 -26.7014 44.3045 -22.7385 44.9633 24.193 TIMING: 1698000 CPU: 5119.91, 0.00300829/step Wall: 5119.91, 0.00300829/step, 2.75927 hours remaining, 207.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1698000 723.2610 2061.1874 1947.2261 127.1375 -205877.6358 17481.2403 0.0000 0.0000 34189.8283 -149347.7550 298.5883 -183537.5834 -149249.4174 298.5644 -244.5022 -211.7439 558374.1722 -3.8368 -3.8809 PRESSURE: 1698200 -242.105 137.935 -12.0126 137.936 -212.718 -71.4594 -12.0142 -71.4591 190.983 GPRESSURE: 1698200 -180.633 197.936 1.05918 118.572 -186.425 -63.9427 -13.5849 -98.652 208.006 PRESSAVG: 1698200 -35.0066 51.2717 -13.2659 51.2718 36.5032 17.5112 -13.266 17.5112 19.4128 GPRESSAVG: 1698200 -35.982 54.1246 -12.8827 50.1449 38.0801 17.1333 -13.9809 17.6606 18.8983 TIMING: 1698200 CPU: 5120.5, 0.00298624/step Wall: 5120.5, 0.00298624/step, 2.73888 hours remaining, 207.371094 MB of memory in use. ENERGY: 1698200 753.3559 2078.9129 1931.8624 109.3340 -206041.5075 17611.6724 0.0000 0.0000 34147.2235 -149409.1463 298.2162 -183556.3698 -149316.4774 299.0891 -87.9468 -53.0173 557189.7579 6.9698 6.9988 PRESSURE: 1698400 -226.455 228.837 -27.824 228.838 -328.705 -96.2975 -27.8236 -96.2958 -212.089 GPRESSURE: 1698400 -207.649 154.831 -78.6627 240.791 -297.388 2.89682 -63.3911 -133.882 -162.814 PRESSAVG: 1698400 14.1519 67.9162 -28.2786 67.9162 -7.14489 -25.5359 -28.2786 -25.5359 15.985 GPRESSAVG: 1698400 14.2678 65.4477 -27.3242 67.7311 -7.10694 -28.4255 -27.9416 -25.1582 16.2629 TIMING: 1698400 CPU: 5121.11, 0.00301188/step Wall: 5121.11, 0.00301188/step, 2.76223 hours remaining, 207.371094 MB of memory in use. ENERGY: 1698400 763.3460 2082.8555 1942.3724 111.6086 -206240.0626 17645.6250 0.0000 0.0000 34197.8334 -149496.4218 298.6582 -183694.2552 -149404.6591 298.5678 -255.7496 -222.6169 558142.9882 7.6640 7.8079 PRESSURE: 1698600 1.91103 -116.174 -87.174 -116.175 -180.789 -57.3573 -87.1734 -57.3579 44.879 GPRESSURE: 1698600 72.619 -69.1736 -47.7652 -111.388 -187.503 -94.6009 -72.6297 -81.1093 86.5315 PRESSAVG: 1698600 -44.68 -0.571584 -14.8494 -0.571582 -3.26209 9.03858 -14.8494 9.03854 48.6536 GPRESSAVG: 1698600 -43.1871 -0.113745 -15.0827 -0.198548 -4.5976 10.5995 -14.3209 8.79133 48.7941 TIMING: 1698600 CPU: 5121.71, 0.0030354/step Wall: 5121.71, 0.0030354/step, 2.78363 hours remaining, 207.371094 MB of memory in use. ENERGY: 1698600 748.5876 2103.5815 1957.2649 124.9981 -206517.8839 17920.4066 0.0000 0.0000 34339.4131 -149323.6321 299.8946 -183663.0452 -149228.1077 299.1282 -44.6663 -9.4510 557473.5675 0.2371 0.3365 PRESSURE: 1698800 97.8411 5.40118 96.9923 5.40102 45.1327 -163.646 96.9928 -163.642 269.521 GPRESSURE: 1698800 101.798 5.80174 170.416 -12.4822 89.9357 -200.872 105.373 -138.933 312.669 PRESSAVG: 1698800 -23.7833 -50.8354 -12.2687 -50.8355 -37.664 -19.383 -12.2687 -19.383 46.3683 GPRESSAVG: 1698800 -25.2714 -52.0931 -13.262 -52.663 -36.9408 -20.6611 -12.8612 -19.4476 46.7206 TIMING: 1698800 CPU: 5122.32, 0.0030098/step Wall: 5122.32, 0.0030098/step, 2.75999 hours remaining, 207.371094 MB of memory in use. ENERGY: 1698800 735.0154 2104.4832 1957.0243 121.6984 -206573.3142 18191.9489 0.0000 0.0000 34379.0404 -149084.1036 300.2407 -183463.1440 -148984.5105 299.3994 137.4983 168.1344 558606.0414 -5.0263 -5.1639 PRESSURE: 1699000 271.15 65.516 62.2684 65.5151 -115.793 -153.812 62.2676 -153.813 -17.3273 GPRESSURE: 1699000 279.26 98.1331 41.1862 -37.4855 -56.5601 -99.4311 114.325 -70.0113 15.8396 PRESSAVG: 1699000 -17.5049 -6.24713 24.7976 -6.247 50.4881 -19.9561 24.7976 -19.9561 -24.3441 GPRESSAVG: 1699000 -16.548 -6.64748 26.1466 -5.06297 49.6339 -17.5758 25.2162 -20.3528 -24.0801 TIMING: 1699000 CPU: 5122.92, 0.00301587/step Wall: 5122.92, 0.00301587/step, 2.76539 hours remaining, 207.371094 MB of memory in use. ENERGY: 1699000 779.5718 2104.6301 1937.1396 117.0743 -206448.3523 18097.9185 0.0000 0.0000 34283.0367 -149128.9813 299.4023 -183412.0180 -149024.8316 299.5956 46.0099 79.5131 558976.1985 2.8797 3.0019 PRESSURE: 1699200 -201.466 46.4306 -51.6346 46.4327 -77.9586 -53.3326 -51.635 -53.3335 -185.931 GPRESSURE: 1699200 -159.054 34.0833 -68.1162 57.7729 -32.1724 -58.0297 -14.5206 -70.9356 -170.293 PRESSAVG: 1699200 28.9503 -21.4457 44.835 -21.4456 8.44761 13.1888 44.835 13.1887 -49.8194 GPRESSAVG: 1699200 27.663 -19.0563 43.1547 -21.7055 8.48456 11.2997 47.4142 14.6522 -48.3754 TIMING: 1699200 CPU: 5123.53, 0.00303342/step Wall: 5123.53, 0.00303342/step, 2.78131 hours remaining, 207.371094 MB of memory in use. ENERGY: 1699200 730.1225 2114.6970 1933.5681 113.5643 -205981.1239 17569.7592 0.0000 0.0000 34156.1976 -149363.2151 298.2946 -183519.4128 -149268.1031 298.4192 -155.1185 -120.5064 557477.2856 -4.1405 -4.0760 PRESSURE: 1699400 55.9341 -50.1067 57.0044 -50.1071 -20.7199 63.6705 57.0052 63.6701 32.1211 GPRESSURE: 1699400 88.99 -24.5288 44.9483 -34.2034 34.6478 85.5243 111.159 -3.83251 35.5969 PRESSAVG: 1699400 38.3309 -19.6288 -13.8043 -19.6288 -32.8996 -32.6436 -13.8044 -32.6435 78.536 GPRESSAVG: 1699400 39.0973 -20.8294 -10.9934 -19.2986 -32.5307 -30.9596 -16.5607 -34.0089 77.4381 TIMING: 1699400 CPU: 5124.13, 0.00302703/step Wall: 5124.13, 0.00302703/step, 2.77528 hours remaining, 207.371094 MB of memory in use. ENERGY: 1699400 752.0145 2111.9108 1933.8522 139.8153 -206148.8544 17777.9598 0.0000 0.0000 34395.6362 -149037.6657 300.3856 -183433.3019 -148943.2577 298.6470 22.4451 53.0782 557270.6674 27.9891 28.0016 PRESSURE: 1699600 -73.8359 -120.599 -82.1374 -120.599 -300.692 -49.2278 -82.1368 -49.2272 -164.522 GPRESSURE: 1699600 -79.474 -119.558 -85.4829 -58.0202 -232.267 -141.196 -189.799 -33.4301 -119.021 PRESSAVG: 1699600 -23.8999 -14.6042 65.5532 -14.6042 -66.9327 1.66435 65.5533 1.66425 91.8926 GPRESSAVG: 1699600 -24.8557 -14.8745 62.9006 -13.2337 -67.1297 2.22585 67.1573 2.15267 92.7862 TIMING: 1699600 CPU: 5124.73, 0.00301673/step Wall: 5124.73, 0.00301673/step, 2.76567 hours remaining, 207.371094 MB of memory in use. ENERGY: 1699600 770.6025 2051.3562 1954.5994 103.9643 -205619.2687 17397.1695 0.0000 0.0000 34334.7681 -149006.8087 299.8541 -183341.5768 -148906.4030 299.7863 -179.6830 -143.5873 557000.1432 0.3533 0.2669 PRESSURE: 1699800 -217.081 9.98145 -23.7475 9.98112 -224.386 88.1767 -23.7463 88.1773 -6.75901 GPRESSURE: 1699800 -180.376 -26.8979 -31.6034 -59.0092 -179.709 111.769 -91.686 105.786 5.75456 PRESSAVG: 1699800 -28.9846 -16.7019 -10.0879 -16.7019 14.9419 11.5382 -10.0879 11.5383 50.2026 GPRESSAVG: 1699800 -27.5403 -18.2281 -8.70888 -17.9188 14.0463 11.5138 -12.4942 11.0109 49.5551 TIMING: 1699800 CPU: 5125.34, 0.00300338/step Wall: 5125.34, 0.00300338/step, 2.75326 hours remaining, 207.371094 MB of memory in use. ENERGY: 1699800 760.0655 2082.4157 1947.8942 97.2953 -205501.8405 17292.8950 0.0000 0.0000 34131.7769 -149189.4978 298.0813 -183321.2747 -149084.7808 299.5847 -149.4087 -118.1100 556663.4487 12.0533 12.0204 PRESSURE: 1700000 199.509 116.397 -45.8391 116.395 66.7136 -29.8226 -45.8382 -29.8231 1.46429 GPRESSURE: 1700000 204.822 27.8317 -119.962 98.5443 126.909 24.6205 -63.9604 -29.9962 35.7198 PRESSAVG: 1700000 -32.6263 -5.79925 3.82412 -5.79918 -1.34316 -13.9038 3.82421 -13.9038 33.657 GPRESSAVG: 1700000 -33.5258 -2.79692 4.78752 -6.35202 0.533166 -14.3852 5.89514 -12.1637 32.1186 TIMING: 1700000 CPU: 5125.94, 0.00303525/step Wall: 5125.94, 0.00303525/step, 2.78231 hours remaining, 207.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1700000 736.0278 2108.2266 1918.5721 113.6090 -206137.2936 17866.9096 0.0000 0.0000 34289.6853 -149104.2631 299.4603 -183393.9484 -149008.8756 299.2671 89.2289 122.4836 557713.5541 -0.1042 -0.2914 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1700000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 1700000 WRITING COORDINATES TO RESTART FILE AT STEP 1700000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1700200 54.0935 219.702 55.964 219.703 -248.237 -108.886 55.9633 -108.887 -22.6 GPRESSURE: 1700200 55.1278 128.762 43.1877 284.565 -201.983 -67.0208 73.1196 -165.529 11.8112 PRESSAVG: 1700200 22.5718 59.3654 25.8912 59.3654 -93.5008 16.1802 25.8912 16.1803 78.0783 GPRESSAVG: 1700200 23.1297 56.8744 23.5624 63.7219 -94.9695 15.196 26.7886 14.9893 78.7711 TIMING: 1700200 CPU: 5126.56, 0.00310312/step Wall: 5126.56, 0.00310312/step, 2.84435 hours remaining, 207.371094 MB of memory in use. ENERGY: 1700200 727.0707 2107.7242 1935.4398 101.8981 -205996.7147 17662.9474 0.0000 0.0000 34182.0363 -149279.5982 298.5202 -183461.6345 -149181.5160 298.6403 -72.2478 -45.0145 558736.0596 2.3831 2.3104 LDB: ============= START OF LOAD BALANCING ============== 5130.08 LDB: ============== END OF LOAD BALANCING =============== 5130.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5130.08 LDB: ============= START OF LOAD BALANCING ============== 5130.39 LDB: Largest compute 4800 load 0.032487 is 27.5% of average load 0.117961 LDB: Average compute 0.001744 is 1.5% of average load 0.117961 LDB: TIME 5130.39 LOAD: AVG 0.117961 MAX 0.213237 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.016 MB LDB: TIME 5130.39 LOAD: AVG 0.117961 MAX 0.213237 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.121 MB LDB: TIME 5130.39 LOAD: AVG 0.117961 MAX 0.213237 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.121 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5130.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5130.4 PRESSURE: 1700400 56.6624 220.678 -12.5554 220.679 -263.336 -109.481 -12.5533 -109.48 -41.4775 GPRESSURE: 1700400 33.4723 161.462 -30.1644 213.712 -185.613 -121.893 40.6905 -32.4527 -8.6992 PRESSAVG: 1700400 63.6236 12.9904 -20.104 12.9904 -57.2787 5.51975 -20.104 5.51977 -2.37463 GPRESSAVG: 1700400 62.3945 13.8869 -17.9017 10.2114 -56.7638 6.92516 -21.8729 4.40876 -2.07036 TIMING: 1700400 CPU: 5127.18, 0.00308225/step Wall: 5127.18, 0.00308225/step, 2.82505 hours remaining, 207.757812 MB of memory in use. ENERGY: 1700400 790.2769 2018.6335 1938.8719 105.1046 -206167.4041 17819.8160 0.0000 0.0000 34210.6167 -149284.0844 298.7698 -183494.7011 -149187.6322 299.0205 -82.7169 -53.6134 557780.3762 1.3234 1.1868 PRESSURE: 1700600 -306.536 84.6538 11.0747 84.6525 -207.136 -126.936 11.0734 -126.939 -414.357 GPRESSURE: 1700600 -363.288 165.564 37.895 54.1679 -161.911 -98.034 41.4513 -168.796 -299.816 PRESSAVG: 1700600 10.7064 32.2469 15.5848 32.2468 43.4606 -23.7037 15.5848 -23.7036 -32.9875 GPRESSAVG: 1700600 9.262 31.7274 15.1285 32.3188 43.7319 -22.5694 16.3279 -23.8418 -31.6937 TIMING: 1700600 CPU: 5127.78, 0.00299398/step Wall: 5127.78, 0.00299398/step, 2.74399 hours remaining, 208.015625 MB of memory in use. ENERGY: 1700600 755.6510 2071.8937 1942.3650 113.4924 -205645.0758 17355.4333 0.0000 0.0000 34136.7127 -149269.5278 298.1244 -183406.2405 -149181.5141 299.2269 -309.3427 -275.0052 558464.9098 7.0598 7.1000 PRESSURE: 1700800 -47.0578 95.903 14.8298 95.9037 -182.515 -68.4425 14.8298 -68.4422 94.8028 GPRESSURE: 1700800 2.26364 136.374 2.00487 66.6138 -110.73 -172.963 -38.5136 -52.4886 74.0741 PRESSAVG: 1700800 -53.9001 1.28434 12.8506 1.28429 6.32191 44.9878 12.8506 44.9878 -5.21696 GPRESSAVG: 1700800 -51.8201 1.42879 12.5278 0.941471 3.96122 43.539 13.3855 46.2034 -5.09921 TIMING: 1700800 CPU: 5128.38, 0.00299457/step Wall: 5128.38, 0.00299457/step, 2.74436 hours remaining, 208.085938 MB of memory in use. ENERGY: 1700800 749.5341 2071.6993 1962.0633 105.4962 -206107.9028 17710.3664 0.0000 0.0000 34214.5914 -149294.1521 298.8045 -183508.7435 -149193.0807 299.0413 -44.9235 -11.4641 557350.1212 -17.5984 -17.6527 PRESSURE: 1701000 -32.6713 -59.4953 -21.6062 -59.4956 -202.978 -90.4274 -21.6049 -90.4275 -147.416 GPRESSURE: 1701000 -7.35106 -77.8479 13.3523 -4.23696 -113.608 1.16666 10.8837 -168.321 -169.403 PRESSAVG: 1701000 -5.45703 -17.0955 17.9436 -17.0955 2.39035 -10.7546 17.9437 -10.7545 -53.2116 GPRESSAVG: 1701000 -5.53868 -17.1279 17.7939 -17.3518 3.53444 -11.2913 16.2701 -10.069 -54.3764 TIMING: 1701000 CPU: 5128.98, 0.0029918/step Wall: 5128.98, 0.0029918/step, 2.74165 hours remaining, 208.085938 MB of memory in use. ENERGY: 1701000 687.4866 2118.6319 1945.1184 121.5722 -206105.3523 17643.0182 0.0000 0.0000 34209.6705 -149379.8546 298.7616 -183589.5250 -149292.7299 298.7307 -127.6883 -96.7873 558910.3822 -18.7594 -18.7935 PRESSURE: 1701200 -82.1369 -14.5659 -200.544 -14.5655 -274.992 -212.935 -200.543 -212.935 -171.456 GPRESSURE: 1701200 -73.6695 -97.2165 -130.604 29.8047 -197.319 -278.955 -208.217 -135.576 -146.519 PRESSAVG: 1701200 67.961 2.30997 38.5707 2.30997 -31.9048 -102.424 38.5706 -102.424 -13.8876 GPRESSAVG: 1701200 68.7435 4.98494 38.1357 1.37867 -33.2345 -102.371 37.361 -104.282 -13.7001 TIMING: 1701200 CPU: 5129.58, 0.00301161/step Wall: 5129.58, 0.00301161/step, 2.75963 hours remaining, 208.085938 MB of memory in use. ENERGY: 1701200 722.7240 2061.7623 1952.2316 112.3243 -206014.9919 17556.6633 0.0000 0.0000 34176.3075 -149432.9790 298.4702 -183609.2865 -149334.1717 298.9831 -176.1951 -139.1691 559827.7499 7.3895 7.2696 PRESSURE: 1701400 96.6264 38.7879 42.5231 38.7882 -79.6412 -58.2922 42.5235 -58.2927 -68.4193 GPRESSURE: 1701400 110.003 92.6171 47.0604 49.6373 -51.8307 -78.7949 27.9847 41.2348 -9.70564 PRESSAVG: 1701400 11.4609 -13.2019 -6.70244 -13.202 -30.2884 5.92782 -6.70239 5.92783 -38.6362 GPRESSAVG: 1701400 11.8623 -14.6168 -7.02227 -12.4237 -29.3133 6.86872 -5.68642 7.39815 -39.7395 TIMING: 1701400 CPU: 5130.18, 0.00300235/step Wall: 5130.18, 0.00300235/step, 2.75099 hours remaining, 208.085938 MB of memory in use. ENERGY: 1701400 729.0219 2083.9754 1923.4914 115.7640 -205989.1710 17831.0434 0.0000 0.0000 34122.3859 -149183.4888 297.9993 -183305.8748 -149086.3801 298.5102 -17.1447 16.1556 558404.0577 -19.1546 -19.0635 PRESSURE: 1701600 512.845 -104.857 -4.72349 -104.857 178.009 -2.2826 -4.72306 -2.28345 191.852 GPRESSURE: 1701600 583.506 -70.4183 -21.8944 -120.361 248.753 47.6781 -104.051 -64.6154 153.647 PRESSAVG: 1701600 73.3267 -24.4855 2.05884 -24.4855 -25.7894 -16.6343 2.05892 -16.6342 -17.3731 GPRESSAVG: 1701600 72.8289 -26.4624 2.51107 -23.292 -26.3373 -16.6473 1.58446 -16.3572 -16.5512 TIMING: 1701600 CPU: 5130.78, 0.00299227/step Wall: 5130.78, 0.00299227/step, 2.74158 hours remaining, 208.085938 MB of memory in use. ENERGY: 1701600 754.9587 2069.0503 1931.9292 108.2115 -206261.3756 18061.0996 0.0000 0.0000 34212.1557 -149123.9705 298.7833 -183336.1262 -149024.3215 298.9296 294.2351 328.6353 556566.2261 10.0547 9.9801 PRESSURE: 1701800 -32.2553 12.1676 -102.572 12.1666 -37.9628 63.3239 -102.571 63.3234 55.9961 GPRESSURE: 1701800 -20.5444 17.1785 -61.6019 39.8791 -6.45323 -1.87313 -45.8839 42.7799 105.912 PRESSAVG: 1701800 19.864 -78.8344 42.1814 -78.8344 -2.29942 -25.5781 42.1814 -25.5781 -8.06358 GPRESSAVG: 1701800 18.6394 -77.2888 41.0507 -80.7507 -2.27634 -26.5077 43.7485 -25.8059 -6.68538 TIMING: 1701800 CPU: 5131.37, 0.00299177/step Wall: 5131.37, 0.00299177/step, 2.74096 hours remaining, 208.289062 MB of memory in use. ENERGY: 1701800 730.3944 2026.5646 1942.4392 113.2533 -205811.3815 17748.8959 0.0000 0.0000 34227.7133 -149022.1207 298.9191 -183249.8340 -148933.6616 299.5692 -4.7407 26.3048 559737.3316 3.1670 3.2259 PRESSURE: 1702000 0.46342 11.0352 -90.0807 11.0344 -227.584 98.6514 -90.0816 98.6508 -133.99 GPRESSURE: 1702000 73.9403 -0.509357 -148.092 17.1293 -204.943 136.705 -50.1505 114.464 -112.443 PRESSAVG: 1702000 62.7906 35.495 -2.57875 35.495 -41.4204 22.639 -2.5788 22.639 -0.779118 GPRESSAVG: 1702000 63.9213 34.0505 -2.22286 37.0673 -41.0109 23.484 -3.01025 22.4763 -1.76558 TIMING: 1702000 CPU: 5131.98, 0.0030084/step Wall: 5131.98, 0.0030084/step, 2.75603 hours remaining, 208.289062 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: 1702000 747.0998 2011.8611 1938.2039 127.0406 -205952.4559 17891.6544 0.0000 0.0000 34298.9121 -148937.6839 299.5409 -183236.5960 -148837.3576 299.9418 -120.3702 -81.1488 560045.0570 6.8637 7.0483 PRESSURE: 1702200 -254.518 -83.4527 -2.30114 -83.4527 -117.786 43.9457 -2.30141 43.9472 -190.38 GPRESSURE: 1702200 -230.07 -105.507 -15.2138 -51.1712 -68.1089 -27.0025 -54.2525 48.1387 -168.755 PRESSAVG: 1702200 33.3676 58.4827 43.7544 58.4828 -32.9568 -11.2803 43.7544 -11.2804 -18.4317 GPRESSAVG: 1702200 33.4237 61.1117 45.9106 57.4288 -33.0321 -11.1589 42.4789 -12.8968 -18.4039 TIMING: 1702200 CPU: 5132.58, 0.00300298/step Wall: 5132.58, 0.00300298/step, 2.7509 hours remaining, 208.289062 MB of memory in use. ENERGY: 1702200 731.0523 2027.0604 1937.1303 116.1426 -205593.5922 17652.7804 0.0000 0.0000 34298.8377 -148830.5886 299.5403 -183129.4263 -148739.6560 300.0542 -187.5614 -155.6446 560354.8447 -6.0070 -6.0041 PRESSURE: 1702400 51.9658 -69.5096 156.146 -69.5095 -129.266 -198.518 156.145 -198.519 -135.441 GPRESSURE: 1702400 65.9816 -114.32 141.325 -91.5565 -120.993 -232.32 86.921 -73.2993 -64.4622 PRESSAVG: 1702400 49.8145 32.1303 14.9051 32.1304 2.78312 -13.558 14.9051 -13.5581 -25.443 GPRESSAVG: 1702400 49.5854 30.6122 12.4529 30.3812 3.13866 -13.2737 16.2962 -11.5491 -25.4417 TIMING: 1702400 CPU: 5133.18, 0.00303436/step Wall: 5133.18, 0.00303436/step, 2.77948 hours remaining, 208.289062 MB of memory in use. ENERGY: 1702400 734.9444 2034.3330 1903.9933 123.5076 -205921.5816 17686.7157 0.0000 0.0000 34393.9690 -149044.1185 300.3711 -183438.0875 -148943.5873 299.8916 -70.9135 -39.8245 557107.1072 9.0515 9.0941 PRESSURE: 1702600 116.709 -108.723 12.6146 -108.723 65.5313 152.487 12.6146 152.488 133.124 GPRESSURE: 1702600 179.322 -110.907 -34.0586 -106.018 35.5809 122.933 -9.51902 113.057 193.004 PRESSAVG: 1702600 -3.61428 15.0605 42.2479 15.0605 -28.0797 -42.8561 42.2479 -42.8561 -8.79417 GPRESSAVG: 1702600 -3.44589 15.8552 43.4308 16.1488 -28.4047 -41.4223 43.1352 -43.9473 -8.70348 TIMING: 1702600 CPU: 5133.79, 0.00303812/step Wall: 5133.79, 0.00303812/step, 2.78275 hours remaining, 208.289062 MB of memory in use. ENERGY: 1702600 716.9154 2044.3192 1884.9213 122.9754 -206057.1143 17972.3258 0.0000 0.0000 34167.2075 -149148.4496 298.3907 -183315.6571 -149048.0176 299.5978 105.1213 135.9691 558058.1493 -13.4961 -13.5180 PRESSURE: 1702800 -80.7054 59.9167 66.5596 59.9171 -170.028 -6.13228 66.5616 -6.13189 -218.884 GPRESSURE: 1702800 -17.0777 34.3372 141.29 108.74 -164.282 71.0002 24.2792 -73.7224 -193.156 PRESSAVG: 1702800 -19.2579 -40.9709 -39.352 -40.9708 14.2198 -18.0036 -39.3519 -18.0037 -35.1301 GPRESSAVG: 1702800 -19.5914 -40.5461 -39.3631 -38.742 14.3465 -19.3538 -39.5158 -20.0414 -35.548 TIMING: 1702800 CPU: 5134.39, 0.00301425/step Wall: 5134.39, 0.00301425/step, 2.76072 hours remaining, 208.289062 MB of memory in use. ENERGY: 1702800 747.5991 2060.1442 1909.2676 115.9352 -205798.6528 17781.7239 0.0000 0.0000 34078.0510 -149105.9317 297.6121 -183183.9827 -149009.1229 298.8187 -156.5390 -124.8385 558818.1583 -13.3894 -13.5976 PRESSURE: 1703000 77.093 -14.5918 95.3059 -14.5913 -115.767 -45.4871 95.3055 -45.4867 -50.2297 GPRESSURE: 1703000 82.0535 -10.913 -8.30615 -40.611 -64.0403 -24.8103 56.0718 -49.0917 -9.7881 PRESSAVG: 1703000 65.2638 45.843 -29.425 45.8429 -13.984 22.1247 -29.4249 22.1248 -59.1281 GPRESSAVG: 1703000 65.0115 45.7078 -29.9095 42.2158 -14.3363 22.2718 -30.3493 22.7116 -58.8381 TIMING: 1703000 CPU: 5135, 0.00302519/step Wall: 5135, 0.00302519/step, 2.77057 hours remaining, 208.289062 MB of memory in use. ENERGY: 1703000 722.8132 2058.9240 1941.3340 114.8841 -205805.1878 17678.2937 0.0000 0.0000 34162.3313 -149126.6074 298.3481 -183288.9387 -149031.4104 299.3612 -29.6345 2.7417 555945.5024 -2.6161 -2.7210 PRESSURE: 1703200 51.7817 -147.532 20.7374 -147.532 204.825 1.58684 20.7368 1.58802 77.5455 GPRESSURE: 1703200 103.177 -154.075 46.2585 -175.348 210.478 6.33776 -41.1169 23.9325 115.609 PRESSAVG: 1703200 18.8009 -9.01873 -30.3613 -9.01867 -5.75485 0.211387 -30.3612 0.211418 -0.241775 GPRESSAVG: 1703200 19.7366 -11.7085 -29.5329 -7.33103 -6.40141 1.53963 -30.3366 -1.52106 -0.646035 TIMING: 1703200 CPU: 5135.61, 0.00304356/step Wall: 5135.61, 0.00304356/step, 2.78722 hours remaining, 208.289062 MB of memory in use. ENERGY: 1703200 734.0534 2069.8100 1952.4375 110.1829 -206283.1831 17910.6089 0.0000 0.0000 34275.1275 -149230.9629 299.3332 -183506.0904 -149135.8319 299.1555 111.3842 143.0882 556104.8698 4.2681 4.2297 PRESSURE: 1703400 149.329 -29.9513 3.09408 -29.95 -63.9387 163.422 3.09413 163.42 -208.011 GPRESSURE: 1703400 160 52.0074 20.1528 -99.3027 -30.7444 217.559 16.4647 74.6815 -166.47 PRESSAVG: 1703400 -44.3423 -13.9567 -13.3724 -13.9567 3.51998 49.8354 -13.3724 49.8354 6.92611 GPRESSAVG: 1703400 -45.3848 -10.8737 -13.1218 -14.2944 3.60676 47.4473 -14.589 53.3253 7.45495 TIMING: 1703400 CPU: 5136.21, 0.00301012/step Wall: 5136.21, 0.00301012/step, 2.75644 hours remaining, 208.289062 MB of memory in use. ENERGY: 1703400 717.9187 2037.9671 1935.0322 112.6344 -206087.3206 17661.8895 0.0000 0.0000 34322.5865 -149299.2922 299.7477 -183621.8787 -149205.2512 299.1398 -40.8738 -12.4048 557893.0639 -11.2987 -11.4410 PRESSURE: 1703600 77.2112 -162.194 -47.5189 -162.194 -39.5645 76.7036 -47.5193 76.704 110.476 GPRESSURE: 1703600 111.761 -115.832 -92.4125 -175.823 17.7915 103.658 -25.8083 39.2902 124.705 PRESSAVG: 1703600 38.302 55.8094 51.967 55.8095 -5.903 38.6273 51.967 38.6272 -26.412 GPRESSAVG: 1703600 38.5307 55.3652 48.9505 57.0033 -4.87523 41.1278 54.0769 38.0426 -27.8894 TIMING: 1703600 CPU: 5136.81, 0.0029987/step Wall: 5136.81, 0.0029987/step, 2.74581 hours remaining, 208.289062 MB of memory in use. ENERGY: 1703600 718.1772 2063.8906 1934.6573 115.8038 -206112.2605 17809.9412 0.0000 0.0000 34299.7792 -149170.0113 299.5485 -183469.7905 -149066.6701 299.3759 49.3743 84.7528 557283.2732 1.9957 1.9220 PRESSURE: 1703800 -340.043 -30.9968 26.2056 -30.9953 43.3763 -28.3195 26.208 -28.3203 -440.539 GPRESSURE: 1703800 -305.758 -99.1851 2.56727 76.1783 50.4565 -31.3206 30.6633 -97.4993 -382.859 PRESSAVG: 1703800 -51.3449 -25.4496 -9.19933 -25.4496 41.0606 11.0656 -9.1994 11.0655 8.052 GPRESSAVG: 1703800 -51.6452 -27.7958 -7.08502 -25.3644 39.7896 10.2512 -9.82282 7.08003 9.41788 TIMING: 1703800 CPU: 5137.41, 0.00302141/step Wall: 5137.41, 0.00302141/step, 2.76644 hours remaining, 208.289062 MB of memory in use. ENERGY: 1703800 734.9627 2113.4545 1942.9750 111.6717 -206027.6380 17441.4418 0.0000 0.0000 34368.4607 -149314.6716 300.1483 -183683.1323 -149218.5765 299.4811 -245.7352 -212.7202 557838.9876 -0.7441 -0.8126 PRESSURE: 1704000 60.6709 214.018 -87.4781 214.016 -361.279 133.162 -87.4782 133.162 -129.892 GPRESSURE: 1704000 75.8417 158.7 -57.2418 56.326 -316.711 85.0069 -97.058 168.096 -99.0036 PRESSAVG: 1704000 -32.7034 23.2485 57.9472 23.2485 4.82009 -5.92212 57.9472 -5.92216 31.9391 GPRESSAVG: 1704000 -33.001 25.9055 58.2838 21.3664 4.43718 -7.13845 58.6577 -2.98505 32.586 TIMING: 1704000 CPU: 5138.03, 0.00306397/step Wall: 5138.03, 0.00306397/step, 2.80524 hours remaining, 208.289062 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: 1704000 753.8291 2079.4195 1915.0908 118.0171 -206017.2004 17539.9507 0.0000 0.0000 34355.8705 -149255.0227 300.0384 -183610.8932 -149149.7392 298.5171 -143.4999 -113.2909 555804.9364 1.3519 1.3407 PRESSURE: 1704200 -18.7822 -71.3473 -102.739 -71.3465 -113.999 145.504 -102.737 145.503 -126.889 GPRESSURE: 1704200 19.0456 -81.2117 -31.6931 19.5233 -65.2361 147.103 -124.476 152.562 -119.883 PRESSAVG: 1704200 32.5524 -42.8083 11.0508 -42.8083 -17.4517 69.0274 11.0508 69.0274 -25.0197 GPRESSAVG: 1704200 32.8434 -44.5592 11.5169 -43.0456 -16.404 69.588 11.468 69.9033 -25.9811 TIMING: 1704200 CPU: 5138.64, 0.00304738/step Wall: 5138.64, 0.00304738/step, 2.78988 hours remaining, 208.289062 MB of memory in use. ENERGY: 1704200 741.7500 2105.5617 1912.1339 117.5110 -206208.4348 17781.0930 0.0000 0.0000 34289.3684 -149261.0167 299.4576 -183550.3852 -149164.9148 299.0260 -86.5569 -55.3580 557068.0954 -3.3063 -3.1805 LDB: ============= START OF LOAD BALANCING ============== 5142.16 LDB: ============== END OF LOAD BALANCING =============== 5142.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5142.16 LDB: ============= START OF LOAD BALANCING ============== 5142.47 LDB: Largest compute 4800 load 0.032324 is 27.4% of average load 0.118083 LDB: Average compute 0.001738 is 1.5% of average load 0.118083 LDB: TIME 5142.47 LOAD: AVG 0.118083 MAX 0.213459 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.164 MB LDB: TIME 5142.47 LOAD: AVG 0.118083 MAX 0.213459 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.234 MB LDB: TIME 5142.47 LOAD: AVG 0.118083 MAX 0.213459 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.234 MB LDB: ============== END OF LOAD BALANCING =============== 5142.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5142.48 PRESSURE: 1704400 -48.8398 239.785 143.667 239.785 -83.9046 -70.5236 143.667 -70.5217 -194.047 GPRESSURE: 1704400 3.99506 159.203 116.581 381.958 -59.0665 -25.8361 162.076 -47.1732 -169.255 PRESSAVG: 1704400 46.2384 -21.1315 4.38585 -21.1315 -82.7983 46.765 4.38595 46.765 81.0184 GPRESSAVG: 1704400 46.0367 -22.4028 3.6715 -16.8877 -81.7248 46.2478 3.33799 45.3073 80.4759 TIMING: 1704400 CPU: 5139.26, 0.0031105/step Wall: 5139.26, 0.0031105/step, 2.84749 hours remaining, 207.246094 MB of memory in use. ENERGY: 1704400 741.4925 2071.8168 1930.5433 117.0874 -206111.3331 17790.4377 0.0000 0.0000 34216.4525 -149243.5028 298.8208 -183459.9552 -149151.5761 299.4073 -108.9305 -74.7755 558355.8515 14.8195 14.9293 PRESSURE: 1704600 94.9981 -42.2652 93.3252 -42.2675 -2.15866 122.137 93.3255 122.137 -188.558 GPRESSURE: 1704600 103.344 14.1469 68.4677 -56.6766 26.5437 100.283 50.6092 138.792 -117.466 PRESSAVG: 1704600 35.9384 24.6469 75.6167 24.6468 -0.482159 -6.1025 75.6166 -6.10259 0.829801 GPRESSAVG: 1704600 37.7221 27.886 74.9143 23.0936 -2.29202 -5.13002 76.8761 -5.55781 0.3794 TIMING: 1704600 CPU: 5139.87, 0.00304219/step Wall: 5139.87, 0.00304219/step, 2.78479 hours remaining, 207.449219 MB of memory in use. ENERGY: 1704600 755.1373 1990.1320 1929.5967 128.5284 -205846.9791 17702.0411 0.0000 0.0000 34173.4768 -149168.0667 298.4455 -183341.5435 -149074.7559 299.1200 -31.9063 4.1406 558129.3129 12.0953 11.9365 PRESSURE: 1704800 45.8806 76.7702 -63.3291 76.7717 -278.611 -148.679 -63.3282 -148.68 -174.813 GPRESSURE: 1704800 62.1528 63.525 23.6087 85.8797 -277.772 -182.343 18.4915 -122.556 -109.938 PRESSAVG: 1704800 -18.0529 74.5507 -48.6454 74.5507 -53.7938 -20.6941 -48.6454 -20.6942 79.1808 GPRESSAVG: 1704800 -18.781 71.3248 -46.4474 74.1227 -54.1464 -22.148 -49.4927 -20.2162 80.1387 TIMING: 1704800 CPU: 5140.48, 0.00304303/step Wall: 5140.48, 0.00304303/step, 2.78539 hours remaining, 207.449219 MB of memory in use. ENERGY: 1704800 750.4226 2107.4004 1932.5511 94.4872 -205799.6285 17410.8703 0.0000 0.0000 34506.2319 -148997.6650 301.3515 -183503.8969 -148897.0102 299.7636 -135.8478 -108.5189 556653.0946 2.4447 2.4038 PRESSURE: 1705000 -109.973 -27.6704 48.4613 -27.6697 -189.4 -115.688 48.4615 -115.689 -392.397 GPRESSURE: 1705000 -73.5594 -55.0938 10.2126 -24.8769 -139.225 -31.6368 49.3243 -176.46 -377.083 PRESSAVG: 1705000 -24.1312 -15.586 16.324 -15.586 22.4834 -28.4918 16.3238 -28.4919 7.53994 GPRESSAVG: 1705000 -25.1219 -14.2884 13.5634 -15.0452 23.278 -26.0684 16.2669 -29.8371 8.12116 TIMING: 1705000 CPU: 5141.08, 0.00303886/step Wall: 5141.08, 0.00303886/step, 2.7814 hours remaining, 207.449219 MB of memory in use. ENERGY: 1705000 750.4181 2112.3340 1939.5221 113.9747 -205579.8141 17235.5339 0.0000 0.0000 34446.4965 -148981.5349 300.8298 -183428.0314 -148879.4004 300.1099 -230.5900 -196.6224 557286.3798 1.9640 2.0924 PRESSURE: 1705200 193.463 -5.46104 -17.6031 -5.46027 -139.231 120.018 -17.6027 120.016 -5.58505 GPRESSURE: 1705200 199.819 46.2273 15.4006 -114.233 -99.1661 101.107 -32.9428 134.886 45.5032 PRESSAVG: 1705200 29.7321 -69.3657 -31.5904 -69.3656 -24.012 10.7708 -31.5905 10.7708 -52.5492 GPRESSAVG: 1705200 29.8683 -68.8528 -29.929 -70.5283 -24.184 10.6829 -30.7811 10.6979 -52.5223 TIMING: 1705200 CPU: 5141.69, 0.00305386/step Wall: 5141.69, 0.00305386/step, 2.79496 hours remaining, 207.449219 MB of memory in use. ENERGY: 1705200 735.0102 2097.6803 1933.5523 112.8903 -205971.7490 17696.4089 0.0000 0.0000 34279.6917 -149116.5155 299.3731 -183396.2071 -149021.7636 300.0493 16.2154 48.7186 556551.0894 -15.6097 -15.6127 PRESSURE: 1705400 -53.7895 -71.9407 129.894 -71.9405 -180.472 -25.1137 129.893 -25.1138 68.982 GPRESSURE: 1705400 -51.4866 -53.2102 125.545 -86.8121 -111.214 30.889 162.797 -122.56 89.4812 PRESSAVG: 1705400 11.1463 3.10775 6.75925 3.10779 -41.5253 0.813454 6.7592 0.813407 32.9403 GPRESSAVG: 1705400 11.2269 3.91384 6.95702 2.11504 -40.9689 -0.516595 7.10226 2.33499 32.2815 TIMING: 1705400 CPU: 5142.3, 0.00304528/step Wall: 5142.3, 0.00304528/step, 2.78694 hours remaining, 207.449219 MB of memory in use. ENERGY: 1705400 766.6162 2134.1406 1957.0468 132.4869 -206129.4799 17867.6464 0.0000 0.0000 34056.8732 -149214.6698 297.4271 -183271.5430 -149131.0384 299.6842 -55.0932 -24.4066 558308.7232 0.8538 0.8465 PRESSURE: 1705600 172.427 -132.654 55.4898 -132.653 -65.4023 -0.958855 55.4893 -0.957321 -191.685 GPRESSURE: 1705600 133.657 -177.738 75.2313 -104.783 19.2761 -59.2944 80.1224 15.9783 -139.458 PRESSAVG: 1705600 -0.914416 -18.692 -18.5745 -18.6921 30.0992 -14.7247 -18.5745 -14.7248 -1.11726 GPRESSAVG: 1705600 -0.749368 -20.9307 -18.2801 -19.162 28.4239 -13.4938 -19.5726 -14.2261 -0.314583 TIMING: 1705600 CPU: 5142.91, 0.00304299/step Wall: 5142.91, 0.00304299/step, 2.78468 hours remaining, 207.574219 MB of memory in use. ENERGY: 1705600 768.3214 2080.6431 1936.0459 118.8637 -206273.0577 17804.6540 0.0000 0.0000 34352.0640 -149212.4657 300.0051 -183564.5297 -149110.8286 299.0510 -28.2202 4.4917 557942.6065 9.3558 9.1200 PRESSURE: 1705800 218.793 -80.3294 65.52 -80.3292 128.297 100.349 65.5193 100.347 227.05 GPRESSURE: 1705800 253.393 -135.429 -78.9866 -13.1743 115.805 144.83 116.241 125.103 294.117 PRESSAVG: 1705800 20.2579 20.9426 29.2234 20.9427 24.3106 -46.1487 29.2235 -46.1488 -53.8992 GPRESSAVG: 1705800 20.0607 22.1308 28.7116 22.6404 24.8793 -46.3071 27.3568 -47.575 -54.1235 TIMING: 1705800 CPU: 5143.52, 0.0030343/step Wall: 5143.52, 0.0030343/step, 2.77655 hours remaining, 207.574219 MB of memory in use. ENERGY: 1705800 750.6844 2114.7262 1931.0622 114.9193 -206887.9968 18188.7648 0.0000 0.0000 34323.5690 -149464.2708 299.7563 -183787.8398 -149365.2415 299.1765 191.3803 221.1050 557081.2750 -3.1103 -3.0612 PRESSURE: 1706000 -170.677 59.6795 -155.354 59.6795 -293.448 59.7002 -155.355 59.7002 145.556 GPRESSURE: 1706000 -158.655 119.334 -127.249 7.68838 -168.45 -32.4889 -156.492 113.991 93.7291 PRESSAVG: 1706000 -25.6492 50.1414 -43.6337 50.1414 12.661 31.4845 -43.6336 31.4846 -30.581 GPRESSAVG: 1706000 -26.8967 50.4753 -43.8257 48.6944 13.0428 29.7545 -42.8668 30.3581 -30.4884 TIMING: 1706000 CPU: 5144.12, 0.00299892/step Wall: 5144.12, 0.00299892/step, 2.74401 hours remaining, 207.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1706000 760.1189 2081.5184 1931.1431 115.1804 -205651.9732 17529.0560 0.0000 0.0000 34074.6150 -149160.3413 297.5821 -183234.9563 -149066.9335 298.8490 -106.1898 -77.7917 559215.3928 -14.5231 -14.7808 PRESSURE: 1706200 -67.7747 40.8371 69.6325 40.8386 -42.8554 92.5005 69.6323 92.4997 7.6067 GPRESSURE: 1706200 -106.473 59.9788 32.4559 59.3941 -20.626 -13.3209 98.5602 131.081 136.896 PRESSAVG: 1706200 -23.6672 7.8122 -36.2237 7.81226 -20.4588 50.0122 -36.2237 50.0122 40.0926 GPRESSAVG: 1706200 -23.3585 9.30294 -36.6808 7.66575 -20.0659 53.1747 -36.3679 49.7438 39.6648 TIMING: 1706200 CPU: 5144.73, 0.00305202/step Wall: 5144.73, 0.00305202/step, 2.79243 hours remaining, 207.574219 MB of memory in use. ENERGY: 1706200 737.8672 2150.2495 1907.7827 108.4173 -205896.5273 17713.2416 0.0000 0.0000 34416.0429 -148862.9262 300.5639 -183278.9691 -148761.2710 299.7371 -34.3412 3.2657 558425.5087 -1.3445 -1.2532 PRESSURE: 1706400 178.632 15.523 -40.8289 15.5224 182.286 99.4599 -40.8297 99.462 141.43 GPRESSURE: 1706400 261.846 3.98765 -38.4433 -4.18561 162.565 158.849 25.8414 88.777 192.838 PRESSAVG: 1706400 -68.9527 -5.97083 22.4341 -5.97082 45.3426 -2.24104 22.4342 -2.24098 17.4825 GPRESSAVG: 1706400 -69.4511 -7.71891 22.0272 -4.20871 45.3872 -3.95184 22.4692 -0.34814 18.0046 TIMING: 1706400 CPU: 5145.33, 0.00301939/step Wall: 5145.33, 0.00301939/step, 2.76241 hours remaining, 207.574219 MB of memory in use. ENERGY: 1706400 737.1654 2138.1109 1916.3295 102.4196 -206141.0768 17949.0240 0.0000 0.0000 34496.0687 -148801.9588 301.2627 -183298.0275 -148704.0303 300.1404 167.4493 205.7496 558018.0955 -2.0425 -2.0198 PRESSURE: 1706600 -51.7023 -1.26268 136.609 -1.26227 -257.159 61.4533 136.609 61.4539 -236.65 GPRESSURE: 1706600 12.8211 -27.2048 154.804 -16.4749 -190.21 3.83698 146.114 103.331 -285.928 PRESSAVG: 1706600 28.1612 -33.7464 9.95992 -33.7464 -32.298 -21.1877 9.9599 -21.1878 -38.5487 GPRESSAVG: 1706600 30.3223 -33.0189 11.4456 -34.458 -33.6548 -21.9656 10.537 -21.7852 -39.7004 TIMING: 1706600 CPU: 5145.94, 0.00302068/step Wall: 5145.94, 0.00302068/step, 2.76342 hours remaining, 207.574219 MB of memory in use. ENERGY: 1706600 754.3745 2002.3661 1937.3627 125.8180 -205282.3736 17396.0036 0.0000 0.0000 34427.5934 -148638.8552 300.6647 -183066.4486 -148538.7420 300.7710 -181.8372 -154.4388 559551.5365 -14.2285 -14.3443 PRESSURE: 1706800 -290.524 -33.0224 -165.203 -33.0217 -259.807 91.5282 -165.201 91.5299 -71.1776 GPRESSURE: 1706800 -208.927 32.1957 -210.14 -5.78175 -265.003 127.108 -119.481 140.835 -35.393 PRESSAVG: 1706800 -34.4327 -23.1022 0.899279 -23.1022 -12.5823 17.1885 0.899277 17.1885 19.9703 GPRESSAVG: 1706800 -36.1944 -23.6804 -0.588314 -23.1813 -11.3948 16.0431 1.06329 18.9736 20.7119 TIMING: 1706800 CPU: 5146.54, 0.00300173/step Wall: 5146.54, 0.00300173/step, 2.74591 hours remaining, 207.574219 MB of memory in use. ENERGY: 1706800 754.5222 2115.3437 1921.5799 109.0915 -205385.4030 17353.0367 0.0000 0.0000 34433.8328 -148697.9962 300.7192 -183131.8290 -148602.3276 300.9896 -207.1695 -169.7744 557773.1757 -9.0149 -8.9591 PRESSURE: 1707000 -142.228 -118.299 -72.4606 -118.299 -73.7461 -12.5737 -72.4592 -12.5751 -213.713 GPRESSURE: 1707000 -132.754 -156.121 -116.169 -87.1436 -52.9428 -83.6179 -88.1173 13.3518 -144.578 PRESSAVG: 1707000 -0.556422 -51.8127 0.516852 -51.8128 4.55559 34.2059 0.516953 34.206 46.399 GPRESSAVG: 1707000 1.30697 -51.2228 1.58084 -52.9083 3.26612 35.2267 -0.414224 33.5522 46.6991 TIMING: 1707000 CPU: 5147.14, 0.00302445/step Wall: 5147.14, 0.00302445/step, 2.76653 hours remaining, 207.574219 MB of memory in use. ENERGY: 1707000 767.9064 2132.8230 1932.2669 118.1574 -205592.5398 17558.2801 0.0000 0.0000 34400.9626 -148682.1433 300.4322 -183083.1059 -148589.1351 301.3748 -143.2291 -110.0917 557394.4835 16.7994 17.0907 PRESSURE: 1707200 103.324 96.9254 48.7818 96.925 -137.303 75.5838 48.7839 75.5842 -196.245 GPRESSURE: 1707200 126.13 90.3334 95.2955 28.3256 -117.575 24.8996 77.5598 70.9457 -137.954 PRESSAVG: 1707200 10.7935 -43.5891 -45.0993 -43.589 -13.7681 62.4751 -45.0992 62.4751 -8.67961 GPRESSAVG: 1707200 9.02849 -45.037 -45.3181 -41.5031 -12.0704 62.9374 -44.1623 62.3413 -8.79233 TIMING: 1707200 CPU: 5147.75, 0.00303404/step Wall: 5147.75, 0.00303404/step, 2.77513 hours remaining, 207.574219 MB of memory in use. ENERGY: 1707200 777.2226 2122.3648 1949.2326 119.2846 -205755.0275 17636.5025 0.0000 0.0000 34529.9187 -148620.5018 301.5584 -183150.4204 -148522.4038 301.1983 -76.7412 -43.1329 556887.6238 -3.8847 -3.9447 PRESSURE: 1707400 -5.26139 -15.637 -153.822 -15.6361 -324.142 -104.678 -153.82 -104.678 327.568 GPRESSURE: 1707400 33.1306 -75.5321 -38.0694 18.0244 -232.37 -101.365 -193.11 -69.7251 294.825 PRESSAVG: 1707400 52.8259 26.9831 44.0757 26.9832 -65.0355 -2.00528 44.0758 -2.0052 -0.671037 GPRESSAVG: 1707400 53.0772 28.8976 42.9124 26.0802 -65.7123 -1.52648 44.7194 -3.75095 0.100962 TIMING: 1707400 CPU: 5148.35, 0.00302145/step Wall: 5148.35, 0.00302145/step, 2.76346 hours remaining, 207.574219 MB of memory in use. ENERGY: 1707400 724.2937 2098.4039 1965.9671 112.0890 -205423.2981 17581.1792 0.0000 0.0000 34288.6747 -148652.6904 299.4515 -182941.3651 -148557.7218 300.9635 -0.6117 31.8620 557505.3720 -4.2935 -4.1780 PRESSURE: 1707600 -38.0923 -141.683 -91.1508 -141.684 -86.8278 -35.3337 -91.1507 -35.3343 -68.3393 GPRESSURE: 1707600 -6.47195 -137.008 -15.6463 -94.2272 -80.2657 -83.6833 -150.027 24.5045 -14.9044 PRESSAVG: 1707600 -29.8378 -31.4571 -14.6342 -31.4571 12.5439 13.7466 -14.6342 13.7466 15.7339 GPRESSAVG: 1707600 -30.3662 -31.3338 -14.363 -31.4792 13.8426 14.0744 -13.2295 14.6422 14.8725 TIMING: 1707600 CPU: 5148.96, 0.00305223/step Wall: 5148.96, 0.00305223/step, 2.79144 hours remaining, 207.574219 MB of memory in use. ENERGY: 1707600 773.2162 2095.2453 1955.3470 130.0744 -205623.7866 17499.6389 0.0000 0.0000 34624.8367 -148545.4280 302.3873 -183170.2647 -148447.0359 301.0670 -64.4198 -33.8807 557575.9230 -0.5200 -0.5504 PRESSURE: 1707800 -185.79 -11.6364 81.7748 -11.6362 21.5954 -18.2314 81.773 -18.2331 206.203 GPRESSURE: 1707800 -161.672 14.4324 121.69 -70.3141 37.5773 0.374662 12.7824 -30.1662 260.49 PRESSAVG: 1707800 -12.1072 -66.5894 10.013 -66.5895 78.3997 -30.4945 10.013 -30.4945 -7.22165 GPRESSAVG: 1707800 -11.2735 -64.6092 11.1229 -68.6103 76.7426 -31.5281 7.1673 -29.878 -6.47178 TIMING: 1707800 CPU: 5149.57, 0.00302392/step Wall: 5149.57, 0.00302392/step, 2.76537 hours remaining, 207.574219 MB of memory in use. ENERGY: 1707800 765.4701 2127.9477 1947.9491 106.1818 -205942.3689 17813.8599 0.0000 0.0000 34681.9193 -148499.0411 302.8858 -183180.9603 -148404.1234 302.1290 14.0026 45.4650 558046.7445 19.6903 19.6658 PRESSURE: 1708000 -49.0708 -31.1211 -87.7697 -31.1201 179.577 -45.846 -87.769 -45.8465 157.636 GPRESSURE: 1708000 -42.7359 -28.5802 3.80715 36.4606 187.09 -83.0591 -83.0721 -9.86001 244.018 PRESSAVG: 1708000 -33.7729 -33.8272 -47.9914 -33.8272 27.9879 36.2265 -47.9914 36.2265 -0.701906 GPRESSAVG: 1708000 -35.2114 -35.221 -49.1703 -32.0041 28.6868 35.9888 -46.9098 37.0355 -0.492741 TIMING: 1708000 CPU: 5150.17, 0.00302386/step Wall: 5150.17, 0.00302386/step, 2.76515 hours remaining, 207.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1708000 772.7510 2086.0541 1958.9131 116.1873 -205994.8767 17905.0955 0.0000 0.0000 34427.4638 -148728.4119 300.6636 -183155.8757 -148631.1695 301.6987 96.0472 129.4571 556979.0189 -2.1623 -2.3391 PRESSURE: 1708200 -229.305 -207.507 -39.5892 -207.505 -150.124 144.12 -39.5897 144.122 -141.081 GPRESSURE: 1708200 -172.359 -144.058 -46.9957 -204.25 -100.136 195.658 -62.9909 154.049 -148.778 PRESSAVG: 1708200 -58.5339 -63.0476 -1.45941 -63.0476 19.7212 19.0919 -1.45944 19.0917 17.2895 GPRESSAVG: 1708200 -57.7244 -63.7669 -0.0200219 -63.5574 19.8773 21.6079 -0.515192 17.7761 15.9678 TIMING: 1708200 CPU: 5150.78, 0.00304349/step Wall: 5150.78, 0.00304349/step, 2.78293 hours remaining, 207.574219 MB of memory in use. ENERGY: 1708200 720.7379 2171.7157 1968.8197 111.0227 -205186.2186 17114.3866 0.0000 0.0000 34349.5819 -148749.9541 299.9834 -183099.5360 -148648.6150 300.2929 -173.5031 -140.4245 557740.8143 -7.1744 -7.2931 LDB: ============= START OF LOAD BALANCING ============== 5154.3 LDB: ============== END OF LOAD BALANCING =============== 5154.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5154.3 LDB: ============= START OF LOAD BALANCING ============== 5154.6 LDB: Largest compute 4800 load 0.033256 is 28.2% of average load 0.117927 LDB: Average compute 0.001742 is 1.5% of average load 0.117927 LDB: TIME 5154.61 LOAD: AVG 0.117927 MAX 0.213403 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.043 MB LDB: TIME 5154.61 LOAD: AVG 0.117927 MAX 0.213403 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.047 MB LDB: TIME 5154.61 LOAD: AVG 0.117927 MAX 0.213403 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.047 MB LDB: ============== END OF LOAD BALANCING =============== 5154.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 5154.61 Info: useSync: 0 useProxySync: 0 PRESSURE: 1708400 260.242 -251.712 -32.7986 -251.713 113.401 -19.0446 -32.8004 -19.0426 2.88463 GPRESSURE: 1708400 279.009 -251.655 -15.0129 -209.429 215.851 -45.5886 25.9297 -35.4408 -11.0032 PRESSAVG: 1708400 15.2029 -18.6312 -14.1414 -18.6312 -26.7483 -12.3388 -14.1414 -12.3387 26.2003 GPRESSAVG: 1708400 15.9149 -20.028 -13.7851 -18.622 -28.595 -14.053 -15.3318 -12.0597 27.2479 TIMING: 1708400 CPU: 5151.4, 0.00307481/step Wall: 5151.4, 0.00307481/step, 2.8114 hours remaining, 209.613281 MB of memory in use. ENERGY: 1708400 817.7008 2067.2989 1936.7528 109.4242 -206135.7634 17952.9362 0.0000 0.0000 34404.7841 -148846.8665 300.4655 -183251.6506 -148746.5329 300.5569 125.5094 161.2858 555340.5946 4.8850 4.8559 PRESSURE: 1708600 -81.4816 157.864 -38.1371 157.863 2.19125 -59.1399 -38.1369 -59.14 70.5917 GPRESSURE: 1708600 -38.8942 126.952 65.1 154.691 4.59796 -120.449 -60.499 -48.1781 113.619 PRESSAVG: 1708600 62.8755 22.3238 -18.6377 22.3237 -48.2696 -5.11841 -18.6377 -5.11834 -13.283 GPRESSAVG: 1708600 63.3428 23.9311 -20.1289 21.4718 -47.1393 -4.99674 -18.398 -3.42575 -14.3735 TIMING: 1708600 CPU: 5152, 0.00302158/step Wall: 5152, 0.00302158/step, 2.76256 hours remaining, 209.683594 MB of memory in use. ENERGY: 1708600 755.6965 2102.5028 1907.4737 109.5403 -205948.9510 17728.2680 0.0000 0.0000 34520.0729 -148825.3967 301.4724 -183345.4696 -148727.2910 300.2772 -2.8995 26.4409 556752.0308 0.4409 0.6100 PRESSURE: 1708800 22.4864 -72.3487 -16.7419 -72.3492 113.128 79.8171 -16.7414 79.8195 -173.92 GPRESSURE: 1708800 70.4819 -80.3672 45.2755 -70.8946 148.311 -15.0086 -33.4918 127.117 -147.923 PRESSAVG: 1708800 68.6333 24.3596 20.3591 24.3596 -80.9797 20.0089 20.3592 20.0089 26.4025 GPRESSAVG: 1708800 67.0706 23.6753 22.5876 25.806 -81.2747 20.6977 20.4399 18.8734 27.9229 TIMING: 1708800 CPU: 5152.6, 0.00301049/step Wall: 5152.6, 0.00301049/step, 2.75226 hours remaining, 209.683594 MB of memory in use. ENERGY: 1708800 770.7459 2111.1777 1922.6510 98.4274 -205854.2241 17791.3419 0.0000 0.0000 34297.0337 -148862.8465 299.5245 -183159.8802 -148768.9344 301.0744 -12.7685 23.6234 556820.6982 4.6854 4.5729 PRESSURE: 1709000 128.634 -212.427 -101.202 -212.427 31.5019 -78.6446 -101.202 -78.6426 -0.112106 GPRESSURE: 1709000 147.307 -214.719 -66.7451 -142.01 77.5334 -46.4471 -93.0008 -136.67 24.9887 PRESSAVG: 1709000 22.8309 -35.8966 -0.420384 -35.8967 3.46698 34.3404 -0.420347 34.3404 10.9035 GPRESSAVG: 1709000 22.3033 -34.6209 -0.868774 -38.6287 4.65658 33.623 0.160992 34.9704 9.92086 TIMING: 1709000 CPU: 5153.21, 0.00303923/step Wall: 5153.21, 0.00303923/step, 2.77836 hours remaining, 209.683594 MB of memory in use. ENERGY: 1709000 754.4368 2109.7854 1924.5888 112.4847 -206233.5089 17925.1484 0.0000 0.0000 34434.1633 -148972.9016 300.7221 -183407.0649 -148874.0849 300.5465 53.3412 83.2765 557607.1654 12.4005 12.2936 PRESSURE: 1709200 248.832 -125.659 -17.3667 -125.659 107.841 8.82927 -17.3671 8.82808 100.284 GPRESSURE: 1709200 347.484 -120.691 -84.0944 -55.4298 59.838 12.4692 -59.1588 -81.711 139.586 PRESSAVG: 1709200 52.1365 1.64337 -1.48525 1.64332 -42.1994 -11.6586 -1.48528 -11.6585 17.3499 GPRESSAVG: 1709200 52.4073 0.737694 0.0763947 6.09019 -42.7973 -11.8882 -2.29357 -12.1535 17.7254 TIMING: 1709200 CPU: 5153.82, 0.00305955/step Wall: 5153.82, 0.00305955/step, 2.79677 hours remaining, 209.683594 MB of memory in use. ENERGY: 1709200 753.0897 2129.6343 1946.8294 104.7086 -206474.6857 18073.7764 0.0000 0.0000 34438.7817 -149027.8656 300.7624 -183466.6473 -148931.7361 300.1502 152.3189 182.3027 557143.2561 9.0957 9.1118 PRESSURE: 1709400 -76.7772 -105.883 33.1231 -105.883 25.0831 -64.9213 33.1249 -64.923 41.7814 GPRESSURE: 1709400 -30.1016 -67.2303 16.968 -139.929 43.6174 -16.7232 20.3739 -61.3875 78.4019 PRESSAVG: 1709400 9.0949 2.6969 11.2426 2.69694 -46.747 8.74255 11.2427 8.74248 28.7472 GPRESSAVG: 1709400 9.22555 3.44639 10.1087 -0.655616 -46.2169 9.09126 9.50466 10.0694 28.2286 TIMING: 1709400 CPU: 5154.43, 0.00303358/step Wall: 5154.43, 0.00303358/step, 2.77286 hours remaining, 209.683594 MB of memory in use. ENERGY: 1709400 745.3647 2096.4065 1968.4405 110.2757 -206229.5595 17718.8620 0.0000 0.0000 34607.4394 -148982.7706 302.2354 -183590.2100 -148880.5510 300.4151 -3.3042 30.6393 555655.1651 -2.9683 -2.9209 PRESSURE: 1709600 -117.647 53.2724 43.33 53.2719 -197.282 209.126 43.3302 209.126 -168.624 GPRESSURE: 1709600 -139.266 42.6854 27.6662 68.6172 -178.502 184.286 107.084 150.111 -74.9553 PRESSAVG: 1709600 80.5558 -32.8397 16.572 -32.8397 -32.0145 0.711473 16.5721 0.71143 -32.8625 GPRESSAVG: 1709600 79.8036 -32.6322 15.7557 -32.0154 -31.8278 2.00728 18.1574 -3.90551 -31.943 TIMING: 1709600 CPU: 5155.04, 0.0030312/step Wall: 5155.04, 0.0030312/step, 2.77051 hours remaining, 209.683594 MB of memory in use. ENERGY: 1709600 706.0355 2170.2806 1924.9054 104.3491 -205766.9291 17402.3184 0.0000 0.0000 34277.1183 -149181.9219 299.3506 -183459.0402 -149080.4405 300.3691 -161.1843 -130.9077 557076.0807 5.2263 5.3443 PRESSURE: 1709800 149.257 14.3481 100.246 14.3466 124.732 -6.41909 100.245 -6.41991 123.365 GPRESSURE: 1709800 266.703 -30.9235 74.4202 23.6047 127.355 0.128997 71.4548 26.3715 99.8019 PRESSAVG: 1709800 9.12624 25 23.0237 25.0001 48.6411 14.3981 23.0236 14.398 -34.4006 GPRESSAVG: 1709800 10.3175 24.2493 23.2757 23.9108 48.0752 14.7015 24.2304 18.4675 -35.0896 TIMING: 1709800 CPU: 5155.64, 0.00302967/step Wall: 5155.64, 0.00302967/step, 2.76895 hours remaining, 209.683594 MB of memory in use. ENERGY: 1709800 781.0300 2166.2072 1914.1659 116.6427 -206475.7328 17952.4236 0.0000 0.0000 34389.1251 -149156.1384 300.3288 -183545.2634 -149055.9213 299.7489 132.4517 164.6201 554916.8541 7.7889 7.7677 PRESSURE: 1710000 46.7188 -202.242 -114.279 -202.241 262.448 108.913 -114.279 108.914 204.045 GPRESSURE: 1710000 1.14082 -282.703 -81.4719 -129.068 326.996 122.888 -102.899 109.394 285.141 PRESSAVG: 1710000 -73.3017 -37.7282 7.52047 -37.7283 55.5473 12.062 7.52046 12.062 32.7359 GPRESSAVG: 1710000 -72.8713 -38.0087 8.62396 -34.7039 56.7286 11.0192 5.93252 9.94565 31.1595 TIMING: 1710000 CPU: 5156.25, 0.00301687/step Wall: 5156.25, 0.00301687/step, 2.75708 hours remaining, 209.683594 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: 1710000 741.7541 2099.9349 1905.6292 109.1453 -206562.4675 18028.7655 0.0000 0.0000 34281.1898 -149396.0488 299.3862 -183677.2386 -149292.3752 298.6050 171.0706 204.4258 555028.5040 4.9938 5.0056 PRESSURE: 1710200 -186.501 3.86198 -109.097 3.86116 -51.7444 -82.106 -109.097 -82.1074 -27.9781 GPRESSURE: 1710200 -73.3485 -10.827 -117.311 9.51166 0.0633317 -170.685 -56.5095 -10.5894 -76.6389 PRESSAVG: 1710200 -3.17038 -72.6307 -19.3166 -72.6307 43.3141 -3.64126 -19.3166 -3.64119 -16.123 GPRESSAVG: 1710200 -3.93574 -72.6394 -21.5385 -71.3555 43.279 -3.34356 -16.7432 -1.97893 -15.565 TIMING: 1710200 CPU: 5156.85, 0.00301608/step Wall: 5156.85, 0.00301608/step, 2.7562 hours remaining, 209.820312 MB of memory in use. ENERGY: 1710200 761.6888 2101.0182 1947.9556 116.1408 -206609.9485 17845.8614 0.0000 0.0000 34275.0571 -149562.2265 299.3326 -183837.2836 -149476.3524 298.4859 -88.7411 -49.9747 555634.6315 8.0069 7.9261 PRESSURE: 1710400 -2.35754 62.9532 -163.562 62.9542 -45.3038 24.2368 -163.561 24.2373 -291.043 GPRESSURE: 1710400 25.7765 29.0559 -127.216 120.672 -7.93423 48.4628 -275.823 11.5332 -254.398 PRESSAVG: 1710400 -8.94745 -8.72416 -17.9785 -8.72418 12.1614 -7.60202 -17.9785 -7.60197 -30.0845 GPRESSAVG: 1710400 -9.5405 -10.4574 -16.2258 -9.16545 10.9609 -6.87197 -20.7396 -9.00429 -28.501 TIMING: 1710400 CPU: 5157.45, 0.00302573/step Wall: 5157.45, 0.00302573/step, 2.76484 hours remaining, 209.820312 MB of memory in use. ENERGY: 1710400 769.5304 2112.5900 1947.1433 115.3049 -206615.7618 17912.7424 0.0000 0.0000 34029.2560 -149729.1950 297.1860 -183758.4509 -149631.3706 298.2116 -112.9014 -78.8519 556240.1610 -8.9568 -9.0268 PRESSURE: 1710600 -140.132 52.6822 -18.0889 52.683 -53.0653 352.082 -18.0883 352.082 -13.0325 GPRESSURE: 1710600 -84.2679 103.08 -51.6793 77.4857 -100.667 374.717 -22.6617 305.22 81.2831 PRESSAVG: 1710600 26.6115 17.595 -41.9537 17.595 5.58701 15.865 -41.9536 15.8649 3.14911 GPRESSAVG: 1710600 26.9833 20.8114 -42.9409 14.5383 5.44185 14.4579 -42.2221 17.8915 2.80296 TIMING: 1710600 CPU: 5158.06, 0.00301513/step Wall: 5158.06, 0.00301513/step, 2.75499 hours remaining, 209.820312 MB of memory in use. ENERGY: 1710600 731.8938 2068.7828 1962.2716 97.3243 -206486.1660 17901.8362 0.0000 0.0000 34119.4966 -149604.5608 297.9740 -183724.0574 -149501.1121 298.1141 -68.7434 -34.5505 558556.4357 11.7826 11.7427 PRESSURE: 1710800 93.5552 5.18179 -196.665 5.18174 94.2756 -78.3547 -196.666 -78.3559 -72.8225 GPRESSURE: 1710800 118.447 -8.35736 -217.47 -20.9505 89.9286 -52.8639 -71.9657 -86.2463 6.10252 PRESSAVG: 1710800 3.82786 6.37872 56.6689 6.37878 21.2809 52.4122 56.6687 52.4121 -10.2893 GPRESSAVG: 1710800 3.37082 5.07938 56.1899 8.8309 20.248 51.6627 58.2099 52.272 -9.32648 TIMING: 1710800 CPU: 5158.66, 0.00300491/step Wall: 5158.66, 0.00300491/step, 2.74548 hours remaining, 209.820312 MB of memory in use. ENERGY: 1710800 730.2155 2106.1844 1932.2785 125.6616 -206584.9803 18006.4373 0.0000 0.0000 34229.2104 -149454.9926 298.9322 -183684.2030 -149360.5072 298.4492 38.3361 71.4926 557946.1233 4.9398 4.7641 PRESSURE: 1711000 -31.6845 126.37 20.7834 126.369 312.802 105.472 20.7819 105.473 101.382 GPRESSURE: 1711000 73.7785 56.667 21.7073 112.297 315.381 165.066 85.2772 74.5106 101.218 PRESSAVG: 1711000 -17.4922 9.71645 11.3836 9.71644 62.8885 -14.1027 11.3836 -14.1027 -88.9362 GPRESSAVG: 1711000 -16.1202 8.4193 10.4591 8.64244 63.7682 -13.4906 10.4601 -15.9147 -90.8135 TIMING: 1711000 CPU: 5159.26, 0.00301807/step Wall: 5159.26, 0.00301807/step, 2.75734 hours remaining, 209.890625 MB of memory in use. ENERGY: 1711000 730.4759 2059.5049 1932.3550 108.8348 -206799.1225 18108.5686 0.0000 0.0000 34525.2388 -149334.1446 301.5175 -183859.3833 -149237.0499 298.5586 127.4997 163.4590 557632.8912 -14.5133 -14.3885 PRESSURE: 1711200 98.6183 57.6418 39.4855 57.6411 99.965 19.8101 39.4846 19.8105 -109.236 GPRESSURE: 1711200 67.6021 5.79458 90.5342 94.5577 176.721 -53.4288 61.0022 29.3506 -51.8288 PRESSAVG: 1711200 -83.1395 -22.8483 17.9398 -22.8483 16.2834 -7.40075 17.9398 -7.40076 32.8189 GPRESSAVG: 1711200 -84.03 -18.9949 19.5686 -23.0529 16.2667 -7.39246 18.2148 -6.15474 33.9127 TIMING: 1711200 CPU: 5159.86, 0.00300884/step Wall: 5159.86, 0.00300884/step, 2.74874 hours remaining, 209.890625 MB of memory in use. ENERGY: 1711200 736.3590 2101.2350 1908.1837 99.7682 -206387.8439 17877.8796 0.0000 0.0000 34318.0135 -149346.4049 299.7077 -183664.4184 -149253.0735 299.8364 29.7826 64.1648 557448.1248 -11.3457 -11.2835 PRESSURE: 1711400 -6.05251 -76.6825 -96.856 -76.6823 65.653 -103.606 -96.8579 -103.607 -48.1128 GPRESSURE: 1711400 31.728 -128.557 -32.8739 -1.73208 97.6813 -173.418 -65.6526 -67.6851 -29.3746 PRESSAVG: 1711400 -93.1771 45.5558 12.4476 45.5558 95.5877 -3.11429 12.4477 -3.11429 -7.95444 GPRESSAVG: 1711400 -92.3951 43.7459 11.5221 46.4357 95.8777 -4.96416 13.1786 -1.30582 -8.99907 TIMING: 1711400 CPU: 5160.47, 0.00305085/step Wall: 5160.47, 0.00305085/step, 2.78695 hours remaining, 209.890625 MB of memory in use. ENERGY: 1711400 726.5069 2137.7920 1921.4482 116.9210 -206250.1380 17756.6490 0.0000 0.0000 34071.2280 -149519.5929 297.5525 -183590.8209 -149418.4190 298.3944 3.8292 33.3449 557491.2059 -1.8480 -1.8388 PRESSURE: 1711600 85.7303 -207.562 5.73452 -207.562 -182.762 42.7165 5.7346 42.716 -275.872 GPRESSURE: 1711600 60.2636 -248.754 -53.6179 -183.177 -151.262 71.7061 60.4067 61.6501 -193.782 PRESSAVG: 1711600 49.7772 28.8337 -45.1872 28.8336 -26.1397 2.368 -45.1873 2.36812 -11.937 GPRESSAVG: 1711600 49.3564 27.5569 -46.3313 28.3413 -26.3204 4.0256 -46.1897 0.069233 -11.0678 TIMING: 1711600 CPU: 5161.08, 0.00301214/step Wall: 5161.08, 0.00301214/step, 2.75142 hours remaining, 209.890625 MB of memory in use. ENERGY: 1711600 730.3752 2160.4867 1935.8227 108.6513 -206123.6382 17578.4706 0.0000 0.0000 34051.6379 -149558.1938 297.3814 -183609.8317 -149461.4163 298.5674 -124.3012 -94.9269 557817.8441 3.9002 3.9894 PRESSURE: 1711800 -346.656 -97.3997 42.9767 -97.3991 -123.303 -19.8036 42.9766 -19.8042 -18.3816 GPRESSURE: 1711800 -277.536 13.6618 47.9843 -115.74 -41.4608 -76.0373 26.8692 6.45952 -70.7887 PRESSAVG: 1711800 13.1795 -7.50224 -26.7026 -7.50218 -58.6771 -8.25511 -26.7026 -8.25501 1.08345 GPRESSAVG: 1711800 12.9509 -6.12726 -23.564 -7.72242 -58.6726 -8.39533 -29.5249 -9.71453 1.29281 TIMING: 1711800 CPU: 5161.68, 0.00302234/step Wall: 5161.68, 0.00302234/step, 2.76057 hours remaining, 209.890625 MB of memory in use. ENERGY: 1711800 767.6506 2065.2375 1927.5047 115.1837 -206216.4105 17695.4123 0.0000 0.0000 34176.2406 -149469.1811 298.4696 -183645.4217 -149369.8260 298.7988 -162.7800 -129.9285 556757.3091 -14.8047 -14.8096 PRESSURE: 1712000 -71.8034 -55.1912 -48.7848 -55.1916 -148.615 82.411 -48.7851 82.4098 113.319 GPRESSURE: 1712000 -9.47621 -33.5346 -136.376 -34.6349 -137.223 91.3082 5.97483 169.087 130.317 PRESSAVG: 1712000 10.6315 -8.47266 -17.197 -8.47268 -86.8149 12.2429 -17.1969 12.2429 63.3938 GPRESSAVG: 1712000 10.392 -6.69043 -19.2984 -9.85666 -87.0829 13.7897 -14.7449 14.6029 63.8556 TIMING: 1712000 CPU: 5162.29, 0.00303529/step Wall: 5162.29, 0.00303529/step, 2.77223 hours remaining, 209.890625 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: 1712000 727.2755 2062.0902 1932.0291 113.7234 -206685.6044 17849.3627 0.0000 0.0000 34179.7231 -149821.4003 298.5000 -184001.1234 -149729.6991 297.7537 -35.6998 -5.4608 555970.3795 -4.2632 -4.2784 PRESSURE: 1712200 108.759 97.6655 104.051 97.6647 -110.233 57.1723 104.052 57.1723 187.487 GPRESSURE: 1712200 159.601 114.121 198.769 132.335 -21.4425 27.6261 75.9538 118.787 149.033 PRESSAVG: 1712200 -0.243438 34.0225 10.1079 34.0225 -5.91341 23.7806 10.108 23.7807 12.2052 GPRESSAVG: 1712200 0.443547 32.6751 11.3586 35.0482 -6.80181 21.5298 10.9724 24.6736 11.6442 TIMING: 1712200 CPU: 5162.89, 0.00302845/step Wall: 5162.89, 0.00302845/step, 2.76582 hours remaining, 209.890625 MB of memory in use. ENERGY: 1712200 747.3074 2043.8788 1917.8559 119.8610 -206436.2358 17865.9897 0.0000 0.0000 34144.3715 -149596.9714 298.1913 -183741.3430 -149500.5790 298.0266 62.0044 95.7308 555584.9217 2.0161 1.7620 LDB: ============= START OF LOAD BALANCING ============== 5166.41 LDB: ============== END OF LOAD BALANCING =============== 5166.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5166.41 LDB: ============= START OF LOAD BALANCING ============== 5166.72 LDB: Largest compute 4800 load 0.033329 is 28.2% of average load 0.117988 LDB: Average compute 0.001736 is 1.5% of average load 0.117988 LDB: TIME 5166.72 LOAD: AVG 0.117988 MAX 0.215148 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.738 MB LDB: TIME 5166.72 LOAD: AVG 0.117988 MAX 0.215148 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.738 MB LDB: TIME 5166.72 LOAD: AVG 0.117988 MAX 0.215148 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.738 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5166.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5166.72 PRESSURE: 1712400 -113.617 126.961 -25.7442 126.961 -176.101 -58.3871 -25.7437 -58.3865 -65.7055 GPRESSURE: 1712400 -19.5509 70.5621 -53.8666 213.077 -192.839 -74.1858 -27.9159 -38.1049 -31.9577 PRESSAVG: 1712400 5.723 39.3437 -13.1624 39.3437 -17.154 -8.08256 -13.1623 -8.08249 31.5502 GPRESSAVG: 1712400 5.46595 38.4908 -12.8189 40.9661 -16.7494 -7.43658 -14.6692 -9.64888 30.9633 TIMING: 1712400 CPU: 5163.51, 0.00307769/step Wall: 5163.51, 0.00307769/step, 2.81061 hours remaining, 207.554688 MB of memory in use. ENERGY: 1712400 779.8916 2102.9993 1935.3486 113.1324 -206232.9937 17699.3995 0.0000 0.0000 34099.7804 -149502.4418 297.8019 -183602.2223 -149403.2130 299.0035 -118.4744 -81.4492 556920.9466 6.7064 6.5599 PRESSURE: 1712600 209.132 -125.119 24.5611 -125.119 135.116 -129.398 24.5598 -129.395 47.3121 GPRESSURE: 1712600 207.234 -99.6212 33.783 -67.4464 159.539 -137.684 -48.2405 -177.724 129.283 PRESSAVG: 1712600 -6.30306 2.2458 -7.5365 2.24579 -20.1731 4.88053 -7.53646 4.88058 28.4998 GPRESSAVG: 1712600 -6.61947 1.51344 -9.5344 1.39945 -21.0266 5.52172 -7.06154 4.35466 29.4512 TIMING: 1712600 CPU: 5164.12, 0.00303998/step Wall: 5164.12, 0.00303998/step, 2.77601 hours remaining, 207.757812 MB of memory in use. ENERGY: 1712600 755.1320 2088.2740 1931.1566 100.1337 -206401.7408 17711.5755 0.0000 0.0000 33877.0487 -149938.4201 295.8567 -183815.4689 -149846.1425 297.7157 130.5201 165.3519 554460.7531 0.6745 0.6017 PRESSURE: 1712800 -95.5809 -144.154 -59.6208 -144.152 161.196 33.3999 -59.6213 33.3995 -80.2367 GPRESSURE: 1712800 -38.0522 -178.536 -68.4288 -129.536 145.328 81.9851 -21.4913 -4.59812 -17.0047 PRESSAVG: 1712800 -56.7616 -1.41673 8.70424 -1.41675 51.4241 -23.8314 8.70427 -23.8314 -8.02077 GPRESSAVG: 1712800 -56.9232 -0.528862 9.76246 -1.90262 51.3916 -23.4638 9.26805 -22.1886 -7.94079 TIMING: 1712800 CPU: 5164.73, 0.00304417/step Wall: 5164.73, 0.00304417/step, 2.77967 hours remaining, 207.882812 MB of memory in use. ENERGY: 1712800 748.4823 2050.7524 1922.1283 120.3832 -206215.1534 17558.9904 0.0000 0.0000 33852.3817 -149962.0352 295.6413 -183814.4168 -149859.3193 297.3712 -4.8740 30.0903 554931.3224 -4.4527 -4.4908 PRESSURE: 1713000 -170.041 -163.918 -24.5321 -163.918 -18.0669 -19.0598 -24.5337 -19.0617 -300.973 GPRESSURE: 1713000 -155.67 -162.409 -0.185521 -139.764 72.6909 -53.5429 -78.7103 -8.87623 -273.97 PRESSAVG: 1713000 1.21976 -80.5564 9.984 -80.5565 14.4066 22.8386 9.98394 22.8387 34.8164 GPRESSAVG: 1713000 1.0088 -79.3147 10.0209 -80.9067 15.8209 21.6827 9.53262 22.2573 34.1066 TIMING: 1713000 CPU: 5165.33, 0.00302598/step Wall: 5165.33, 0.00302598/step, 2.76289 hours remaining, 207.882812 MB of memory in use. ENERGY: 1713000 773.2987 2090.6895 1902.8665 115.8111 -207006.4842 17919.0716 0.0000 0.0000 34234.3212 -149970.4257 298.9768 -184204.7469 -149877.4681 298.2039 -163.0268 -118.9830 556734.6117 16.8143 16.9788 PRESSURE: 1713200 -85.1038 -135.645 33.4685 -135.645 -273.245 -34.5383 33.468 -34.5391 -267.112 GPRESSURE: 1713200 -23.1099 -24.1625 -8.52289 -170.398 -227.966 -101.636 93.5544 -24.5462 -277.454 PRESSAVG: 1713200 -7.24934 -54.7104 17.695 -54.7104 4.64442 51.0057 17.6949 51.0057 -17.2503 GPRESSAVG: 1713200 -7.36791 -56.6481 16.714 -52.5174 4.31152 52.0514 17.4282 50.2463 -17.1295 TIMING: 1713200 CPU: 5165.94, 0.00302711/step Wall: 5165.94, 0.00302712/step, 2.76376 hours remaining, 207.882812 MB of memory in use. ENERGY: 1713200 727.5976 2055.9745 1921.2863 105.6291 -206210.1128 17402.3319 0.0000 0.0000 34213.2177 -149784.0757 298.7925 -183997.2934 -149687.5221 297.3866 -208.4871 -176.1767 555409.2856 -6.6184 -6.7286 PRESSURE: 1713400 -140.632 32.236 -2.91099 32.2372 231.089 -59.0333 -2.90971 -59.0353 -149.347 GPRESSURE: 1713400 -104.453 -5.89791 37.156 63.7133 227.66 -4.2467 35.2046 -69.1265 -79.708 PRESSAVG: 1713400 -2.39723 -25.4505 24.6842 -25.4505 19.0224 -33.002 24.6843 -33.0019 -28.7867 GPRESSAVG: 1713400 -2.344 -25.0464 25.5519 -26.6935 18.8781 -32.6175 26.0546 -33.6334 -28.5429 TIMING: 1713400 CPU: 5166.55, 0.00305825/step Wall: 5166.55, 0.00305825/step, 2.79201 hours remaining, 207.882812 MB of memory in use. ENERGY: 1713400 756.7105 2169.5085 1892.0477 111.1124 -206184.8426 17695.4817 0.0000 0.0000 34082.3474 -149477.6343 297.6496 -183559.9817 -149382.5596 298.2057 -19.6299 14.4997 556864.0730 -4.0538 -4.0029 PRESSURE: 1713600 -262.867 -6.39283 -12.2147 -6.39156 96.6547 -136.147 -12.2148 -136.147 104.683 GPRESSURE: 1713600 -221.448 -6.10337 -95.2472 84.9786 179.863 -124.026 17.7962 -188.598 82.1538 PRESSAVG: 1713600 -30.7868 -8.90429 -17.3967 -8.9043 -3.29235 25.4795 -17.3967 25.4796 68.5975 GPRESSAVG: 1713600 -29.4523 -8.08902 -16.938 -9.56145 -3.99787 23.4575 -19.093 26.0947 67.9306 TIMING: 1713600 CPU: 5167.15, 0.00303482/step Wall: 5167.15, 0.00303482/step, 2.77045 hours remaining, 207.882812 MB of memory in use. ENERGY: 1713600 714.7974 2108.0557 1923.7359 117.1191 -206125.9081 17533.4919 0.0000 0.0000 34348.6670 -149380.0413 299.9755 -183728.7083 -149286.6472 298.7697 -20.5098 13.5232 555763.6441 11.5061 11.4935 PRESSURE: 1713800 -181.179 142.194 -1.99301 142.194 -38.6548 70.4286 -1.99294 70.4301 -34.6191 GPRESSURE: 1713800 -185.109 43.707 93.5169 166.513 -0.786246 40.559 -67.3546 71.5888 34.5861 PRESSAVG: 1713800 -30.0309 -7.88508 15.499 -7.88503 53.1135 8.86928 15.499 8.86928 -25.501 GPRESSAVG: 1713800 -30.6526 -9.1733 14.8838 -7.61123 52.3308 9.55242 15.8933 10.4945 -24.1736 TIMING: 1713800 CPU: 5167.76, 0.00304147/step Wall: 5167.76, 0.00304147/step, 2.77636 hours remaining, 207.882812 MB of memory in use. ENERGY: 1713800 772.6454 2079.3082 1904.0092 107.3702 -206139.0640 17670.3200 0.0000 0.0000 34204.2209 -149401.1901 298.7140 -183605.4110 -149299.3679 298.4883 -84.8176 -50.4363 557817.5103 -0.8061 -0.8318 PRESSURE: 1714000 -52.9251 74.0486 -28.6835 74.0481 313.938 101.55 -28.6839 101.55 59.0339 GPRESSURE: 1714000 -3.5816 46.3156 -4.44136 154.884 363.232 72.5592 -85.1079 185.807 68.4354 PRESSAVG: 1714000 -42.509 3.92002 -0.73838 3.92015 47.749 19.4482 -0.738394 19.4483 -24.1093 GPRESSAVG: 1714000 -41.6222 5.60238 0.138487 2.9566 49.4276 20.5402 -0.315214 18.2316 -26.1119 TIMING: 1714000 CPU: 5168.37, 0.00302771/step Wall: 5168.37, 0.00302771/step, 2.76363 hours remaining, 207.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1714000 741.5832 2079.0175 1961.0551 114.6809 -206435.5447 18001.5548 0.0000 0.0000 34242.5750 -149295.0782 299.0489 -183537.6532 -149200.1492 299.3199 106.6821 142.6954 556651.6473 -6.2898 -6.1022 PRESSURE: 1714200 94.1778 -9.62872 115.977 -9.62787 -223.756 100.1 115.977 100.099 -270.173 GPRESSURE: 1714200 72.1638 -68.1464 153.241 -53.1057 -157.941 76.0938 56.1782 182.919 -210.242 PRESSAVG: 1714200 -55.8538 11.467 17.0059 11.467 66.3623 33.1097 17.0058 33.1096 1.45398 GPRESSAVG: 1714200 -56.9595 11.5844 16.5753 12.8257 66.6342 32.2658 15.5563 33.9918 1.48254 TIMING: 1714200 CPU: 5168.98, 0.00303696/step Wall: 5168.98, 0.00303696/step, 2.7719 hours remaining, 207.882812 MB of memory in use. ENERGY: 1714200 724.3242 2135.4087 1939.3819 108.3572 -206103.0799 17524.6589 0.0000 0.0000 34147.7945 -149523.1546 298.2212 -183670.9491 -149427.4480 299.5081 -133.2502 -98.6733 557195.6375 3.9875 3.7191 PRESSURE: 1714400 -291.544 107.628 -74.6404 107.627 -151.894 104.046 -74.6389 104.046 -182.622 GPRESSURE: 1714400 -259.906 24.2549 -29.2431 135.572 -74.3625 152.163 -31.7432 120.248 -198.914 PRESSAVG: 1714400 0.0207471 10.8502 16.7978 10.8501 -30.6238 8.28987 16.7978 8.28986 33.6061 GPRESSAVG: 1714400 -0.072285 10.313 15.5174 10.2891 -30.8092 8.78493 19.5454 7.18832 34.2823 TIMING: 1714400 CPU: 5169.58, 0.00302899/step Wall: 5169.58, 0.00302899/step, 2.76446 hours remaining, 207.882812 MB of memory in use. ENERGY: 1714400 733.5380 2186.9690 1922.4361 107.7007 -206064.9282 17431.1084 0.0000 0.0000 34171.7338 -149511.4423 298.4303 -183683.1761 -149417.1853 298.8106 -208.6868 -177.7274 557540.8329 1.0010 1.1336 PRESSURE: 1714600 -33.1916 -99.5938 32.3642 -99.5948 -148.654 123.172 32.3635 123.173 14.1186 GPRESSURE: 1714600 29.9758 -106.519 50.8848 -37.7915 -128.86 86.8465 8.16656 121.313 41.2926 PRESSAVG: 1714600 -41.2173 24.5731 -29.7224 24.5731 45.7016 3.87395 -29.7223 3.87389 1.9125 GPRESSAVG: 1714600 -41.0272 23.7357 -30.2796 25.4044 45.2461 2.26292 -32.196 4.89277 1.92278 TIMING: 1714600 CPU: 5170.19, 0.00306424/step Wall: 5170.19, 0.00306424/step, 2.79646 hours remaining, 207.882812 MB of memory in use. ENERGY: 1714600 698.7146 2084.6864 1934.5850 120.6430 -206240.9967 17712.9385 0.0000 0.0000 34329.2779 -149360.1513 299.8061 -183689.4292 -149263.0880 298.8220 -55.9090 -19.1972 556101.3251 2.1323 2.0472 PRESSURE: 1714800 181.169 8.50384 -20.9472 8.50438 -34.226 -42.2735 -20.9462 -42.276 -70.8805 GPRESSURE: 1714800 186.341 15.1193 -12.3685 -26.6983 26.1825 -121.107 -83.0933 -34.5935 -48.6176 PRESSAVG: 1714800 20.5083 -26.0343 -21.0736 -26.0343 -33.8718 -45.5051 -21.0735 -45.5051 29.6359 GPRESSAVG: 1714800 19.9706 -25.9363 -20.2485 -24.9165 -33.3855 -46.3607 -19.6794 -46.7462 30.0237 TIMING: 1714800 CPU: 5170.81, 0.00307292/step Wall: 5170.81, 0.00307292/step, 2.80421 hours remaining, 207.882812 MB of memory in use. ENERGY: 1714800 743.9194 2083.6213 1942.3481 135.9310 -206385.9559 17831.2543 0.0000 0.0000 34261.4367 -149387.4452 299.2136 -183648.8819 -149293.8321 298.7977 25.3542 54.6352 556697.0575 5.4241 5.5363 PRESSURE: 1715000 44.2494 16.0824 15.2159 16.0823 64.3518 -51.4988 15.2141 -51.4968 -7.17775 GPRESSURE: 1715000 61.8943 10.6093 12.0891 -21.3622 111.914 -48.2215 -20.2227 -32.3275 35.4002 PRESSAVG: 1715000 33.8804 26.0516 -7.75114 26.0517 -21.6878 -26.536 -7.75117 -26.5361 -24.2813 GPRESSAVG: 1715000 33.873 26.2018 -5.59026 22.7128 -22.3392 -26.309 -8.37596 -26.0992 -23.8851 TIMING: 1715000 CPU: 5171.42, 0.00304742/step Wall: 5171.42, 0.00304742/step, 2.78077 hours remaining, 207.882812 MB of memory in use. ENERGY: 1715000 711.4268 2065.8180 1937.0502 112.0996 -206301.3545 17848.8592 0.0000 0.0000 34386.5813 -149239.5193 300.3066 -183626.1006 -149147.9809 299.1194 33.8078 69.7361 557488.5192 -4.0296 -4.1171 PRESSURE: 1715200 171.455 25.81 69.0172 25.8089 146.379 -212.615 69.0178 -212.615 -31.6334 GPRESSURE: 1715200 219.849 50.5267 85.08 4.36649 165.6 -242.126 89.2313 -214.672 2.64765 PRESSAVG: 1715200 12.2584 7.31095 29.6987 7.31095 2.0653 -73.779 29.6987 -73.779 -10.3051 GPRESSAVG: 1715200 12.2694 7.90392 27.6113 6.8899 1.97474 -73.118 29.0866 -74.7396 -10.0962 TIMING: 1715200 CPU: 5172.03, 0.00304163/step Wall: 5172.03, 0.00304163/step, 2.77532 hours remaining, 207.882812 MB of memory in use. ENERGY: 1715200 722.8331 2066.7888 1914.7961 114.3441 -206222.9408 17861.3077 0.0000 0.0000 34357.0169 -149185.8541 300.0484 -183542.8710 -149089.3375 299.5214 95.4004 129.3657 557073.1574 1.3395 1.3826 PRESSURE: 1715400 143.841 -63.6396 150.397 -63.6392 57.1027 88.6346 150.397 88.6337 -76.5978 GPRESSURE: 1715400 193.518 -40.6731 131.53 -120.117 109.344 94.0296 125.324 73.5934 -76.4867 PRESSAVG: 1715400 -4.64583 29.1649 93.8041 29.165 23.8687 -96.7236 93.8042 -96.7236 2.87291 GPRESSAVG: 1715400 -5.53163 29.621 94.7624 31.9054 25.9627 -95.3862 95.7369 -96.0894 2.13291 TIMING: 1715400 CPU: 5172.64, 0.00308311/step Wall: 5172.64, 0.00308311/step, 2.813 hours remaining, 207.882812 MB of memory in use. ENERGY: 1715400 765.9641 2050.8313 1923.9783 97.1387 -206020.0431 17884.7347 0.0000 0.0000 34298.5315 -148998.8644 299.5376 -183297.3959 -148895.8972 299.1989 41.4485 75.4584 557826.9127 7.3653 7.5213 PRESSURE: 1715600 -145.483 61.3493 18.5255 61.3484 -1.66277 -276.663 18.525 -276.664 191.51 GPRESSURE: 1715600 -91.6548 0.122767 47.9913 5.25458 32.8261 -250.949 101.328 -268.828 194.06 PRESSAVG: 1715600 23.4787 -51.4149 12.6946 -51.4149 -10.8929 -28.1951 12.6945 -28.1951 -19.1862 GPRESSAVG: 1715600 23.914 -52.091 12.6301 -50.8633 -12.5451 -29.7898 13.9314 -28.5277 -18.3732 TIMING: 1715600 CPU: 5173.26, 0.00307023/step Wall: 5173.26, 0.00307023/step, 2.80107 hours remaining, 207.882812 MB of memory in use. ENERGY: 1715600 749.2154 2125.4373 1945.3371 124.5081 -205755.6005 17616.1982 0.0000 0.0000 34163.6060 -149031.2983 298.3593 -183194.9043 -148943.5109 300.0610 14.7882 45.0770 555941.4040 -2.2002 -2.3348 PRESSURE: 1715800 -55.0434 -54.3728 -64.0865 -54.3735 14.0168 -42.0021 -64.0855 -42.0021 177.375 GPRESSURE: 1715800 -15.4156 -11.6077 -78.9295 -27.105 13.3692 13.9882 -96.0165 -162.778 235.497 PRESSAVG: 1715800 -5.03677 10.0554 54.5441 10.0554 -7.10362 8.17553 54.5441 8.17559 -18.1176 GPRESSAVG: 1715800 -5.41116 11.1149 52.7406 8.99703 -7.74922 9.49918 50.965 7.90675 -17.3051 TIMING: 1715800 CPU: 5173.86, 0.00303532/step Wall: 5173.86, 0.00303532/step, 2.76905 hours remaining, 207.882812 MB of memory in use. ENERGY: 1715800 763.2952 2113.3153 1959.7771 122.2548 -205907.6211 17674.6978 0.0000 0.0000 34221.5682 -149052.7127 298.8655 -183274.2809 -148954.3983 299.5811 45.4495 77.8169 556770.0371 -10.0860 -10.1552 PRESSURE: 1716000 -33.6604 -64.4655 89.48 -64.4651 37.9817 61.6429 89.4787 61.6463 -55.5046 GPRESSURE: 1716000 3.45545 -92.8692 142.582 -38.1487 44.2169 -43.6002 80.7213 -13.5185 1.03289 PRESSAVG: 1716000 18.3187 5.25029 -0.471241 5.25034 67.4363 48.1383 -0.471261 48.1383 -128.2 GPRESSAVG: 1716000 18.7873 3.03525 1.64033 6.67874 67.7349 48.5588 -0.200722 47.7152 -129.109 TIMING: 1716000 CPU: 5174.47, 0.00304804/step Wall: 5174.47, 0.00304804/step, 2.78049 hours remaining, 207.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1716000 788.6912 2092.3111 1947.0006 120.0934 -205877.5899 17567.6620 0.0000 0.0000 34271.7184 -149090.1131 299.3034 -183361.8316 -148993.7784 299.7650 -17.0611 16.2351 555574.5866 -14.1482 -14.1955 PRESSURE: 1716200 -53.7467 181.282 -9.37177 181.282 66.5562 51.6041 -9.37259 51.6042 -13.6853 GPRESSURE: 1716200 -38.495 181.585 -71.9221 188.499 147.83 -19.4858 -20.4476 70.5279 -5.32233 PRESSAVG: 1716200 17.9807 37.9034 18.883 37.9034 69.2939 -25.2147 18.8831 -25.2147 -86.6977 GPRESSAVG: 1716200 17.9878 39.915 17.1294 36.5791 70.1734 -26.2869 20.6204 -24.9742 -87.3814 TIMING: 1716200 CPU: 5175.08, 0.00303303/step Wall: 5175.08, 0.00303303/step, 2.76663 hours remaining, 207.882812 MB of memory in use. ENERGY: 1716200 777.1653 2115.3480 1924.3091 107.4526 -206349.9531 17781.8977 0.0000 0.0000 34513.3581 -149130.4222 301.4137 -183643.7803 -149032.4767 300.0306 -0.2920 34.6707 555398.0529 0.1923 0.2599 LDB: ============= START OF LOAD BALANCING ============== 5178.6 LDB: ============== END OF LOAD BALANCING =============== 5178.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5178.6 LDB: ============= START OF LOAD BALANCING ============== 5178.91 LDB: Largest compute 4800 load 0.032169 is 27.3% of average load 0.117989 LDB: Average compute 0.001741 is 1.5% of average load 0.117989 LDB: TIME 5178.91 LOAD: AVG 0.117989 MAX 0.215541 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.555 MB LDB: TIME 5178.91 LOAD: AVG 0.117989 MAX 0.215541 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.758 MB LDB: TIME 5178.91 LOAD: AVG 0.117989 MAX 0.215541 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.758 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5178.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5178.92 PRESSURE: 1716400 -16.5896 -114.905 25.8003 -114.903 -63.5989 4.81389 25.8014 4.81611 68.6326 GPRESSURE: 1716400 -8.18876 -89.0718 15.834 -54.3027 5.39725 43.4563 30.9337 23.5144 86.4295 PRESSAVG: 1716400 -3.1383 7.34554 25.4699 7.34552 31.0516 -12.4285 25.4698 -12.4285 -6.27834 GPRESSAVG: 1716400 -3.07889 6.25584 25.6252 6.3452 30.5474 -13.0986 25.952 -9.95132 -5.99492 TIMING: 1716400 CPU: 5175.7, 0.00309308/step Wall: 5175.7, 0.00309308/step, 2.82124 hours remaining, 207.359375 MB of memory in use. ENERGY: 1716400 725.0727 2124.5005 1915.5436 112.3435 -206177.9651 17749.2365 0.0000 0.0000 34205.8383 -149345.4301 298.7281 -183551.2684 -149250.3546 299.8781 -3.8520 27.8793 556420.4382 7.2116 7.1579 PRESSURE: 1716600 -127.927 -99.9627 -169.399 -99.964 -321.425 -94.2721 -169.4 -94.272 -94.1938 GPRESSURE: 1716600 -90.2949 -39.2817 -190.743 -68.1201 -285.29 -8.41804 -157.592 -171.838 -67.8534 PRESSAVG: 1716600 54.8272 19.034 -14.295 19.034 -38.6015 -36.6177 -14.295 -36.6178 -9.96021 GPRESSAVG: 1716600 54.4472 18.6801 -13.025 17.7977 -38.6947 -35.6699 -15.5001 -39.9457 -10.0543 TIMING: 1716600 CPU: 5176.31, 0.00303858/step Wall: 5176.31, 0.00303858/step, 2.77136 hours remaining, 207.359375 MB of memory in use. ENERGY: 1716600 764.4289 2033.3029 1932.8347 123.0289 -206113.2566 17593.1691 0.0000 0.0000 34283.7533 -149382.7388 299.4085 -183666.4921 -149276.2277 298.7728 -181.1819 -147.8127 558162.3870 2.0885 1.8994 PRESSURE: 1716800 -207.174 71.8336 42.7985 71.8341 -51.0574 -72.1599 42.7975 -72.1609 -83.8095 GPRESSURE: 1716800 -139.741 136.608 48.7111 46.7634 -10.5968 -139.804 30.9463 -35.0084 -98.6047 PRESSAVG: 1716800 -20.1609 -7.69002 -31.6887 -7.69 36.8194 -43.9382 -31.6887 -43.9382 13.4474 GPRESSAVG: 1716800 -20.0667 -6.02483 -31.762 -7.2224 36.1521 -44.3911 -33.158 -41.6421 13.6563 TIMING: 1716800 CPU: 5176.92, 0.00306127/step Wall: 5176.92, 0.00306128/step, 2.79188 hours remaining, 207.359375 MB of memory in use. ENERGY: 1716800 720.1575 2096.2192 1925.1440 112.5133 -205946.5374 17797.0491 0.0000 0.0000 34157.4226 -149138.0319 298.3053 -183295.4545 -149042.4231 299.1420 -114.0136 -82.9808 559030.0971 10.0353 9.9139 PRESSURE: 1717000 164.637 -7.48237 -60.041 -7.4831 -65.887 -143.657 -60.0412 -143.657 -169.147 GPRESSURE: 1717000 182.929 1.59712 -171.028 -18.3123 -72.2968 -180.293 12.7252 -106.475 -81.0883 PRESSAVG: 1717000 40.2083 11.4605 -22.2817 11.4604 -26.71 -55.6138 -22.2816 -55.6138 -7.4094 GPRESSAVG: 1717000 40.0964 10.4508 -24.5784 12.5893 -25.7177 -55.2522 -18.9057 -55.1995 -7.86776 TIMING: 1717000 CPU: 5177.53, 0.00306801/step Wall: 5177.53, 0.00306801/step, 2.79786 hours remaining, 207.359375 MB of memory in use. ENERGY: 1717000 758.3648 2038.9396 1930.3845 104.9613 -205908.6477 17828.1740 0.0000 0.0000 34224.4894 -149023.3341 298.8910 -183247.8235 -148928.8995 299.5652 -23.4660 9.8479 559468.5885 2.0296 2.1703 PRESSURE: 1717200 -120.811 -18.0144 30.2968 -18.0134 -239.374 69.839 30.2982 69.8396 35.4746 GPRESSURE: 1717200 -92.7257 -64.0471 18.1712 -22.0087 -179.661 95.9198 77.096 123.779 60.7062 PRESSAVG: 1717200 15.2211 24.6212 -1.92849 24.6213 -30.2113 -25.4721 -1.9285 -25.4722 27.3061 GPRESSAVG: 1717200 15.5116 25.9028 -0.503682 23.3348 -30.4774 -27.0418 -2.96792 -25.3156 27.2134 TIMING: 1717200 CPU: 5178.14, 0.00302616/step Wall: 5178.14, 0.00302616/step, 2.75952 hours remaining, 207.429688 MB of memory in use. ENERGY: 1717200 722.2340 2129.7593 1919.5121 94.6222 -205988.0080 17591.4204 0.0000 0.0000 34293.2869 -149237.1730 299.4918 -183530.4599 -149140.8909 299.3553 -108.2369 -70.5600 557926.2947 4.1053 4.0826 PRESSURE: 1717400 25.2196 -53.8092 -11.2882 -53.8086 72.642 99.9535 -11.2884 99.9541 -31.0697 GPRESSURE: 1717400 64.0524 -59.4078 -28.992 -39.1189 108.865 91.9688 -101.772 92 -1.61081 PRESSAVG: 1717400 9.30536 20.5389 -13.7445 20.5389 34.6327 23.908 -13.7445 23.9078 20.8171 GPRESSAVG: 1717400 8.79154 20.1098 -13.4329 23.1039 35.1893 26.6621 -13.179 23.0182 20.6182 TIMING: 1717400 CPU: 5178.75, 0.00304474/step Wall: 5178.75, 0.00304474/step, 2.7763 hours remaining, 207.429688 MB of memory in use. ENERGY: 1717400 747.5993 2076.3509 1912.6169 112.8375 -205902.6246 17599.7229 0.0000 0.0000 34142.5535 -149310.9436 298.1754 -183453.4971 -149208.4132 298.6938 22.2640 57.1023 556003.4625 21.5851 21.5330 PRESSURE: 1717600 -194.538 -60.2837 -69.1021 -60.2833 36.1562 -11.7829 -69.1005 -11.7827 120.293 GPRESSURE: 1717600 -165.761 -42.654 -84.6309 -75.7835 125.782 17.4109 -78.7297 -100.37 98.4693 PRESSAVG: 1717600 -53.9047 -49.0104 -49.0239 -49.0105 23.3866 -4.53782 -49.0239 -4.53787 2.76618 GPRESSAVG: 1717600 -53.7155 -50.8404 -48.9253 -48.3349 22.5712 -6.66729 -52.0245 -5.19396 3.87905 TIMING: 1717600 CPU: 5179.35, 0.00300712/step Wall: 5179.35, 0.00300712/step, 2.74183 hours remaining, 207.429688 MB of memory in use. ENERGY: 1717600 723.3870 2071.3009 1942.9385 98.3864 -206245.8873 17755.9878 0.0000 0.0000 34244.9605 -149408.9261 299.0698 -183653.8866 -149308.7944 298.9318 -12.6965 19.4968 557355.5427 -9.2506 -9.0884 PRESSURE: 1717800 -11.3334 -101.469 -148.885 -101.469 -135.881 -38.8158 -148.885 -38.8164 -76.0583 GPRESSURE: 1717800 -58.7376 -53.8234 -182.371 -93.4128 -83.036 -74.7445 -157.023 3.29906 25.6832 PRESSAVG: 1717800 -4.49806 -2.33853 -51.6109 -2.33853 20.897 -13.9842 -51.611 -13.9842 11.1309 GPRESSAVG: 1717800 -5.25892 -2.1731 -54.0478 -2.18611 21.9323 -13.918 -49.2853 -14.6321 11.1374 TIMING: 1717800 CPU: 5179.95, 0.00301023/step Wall: 5179.95, 0.00301023/step, 2.74449 hours remaining, 207.429688 MB of memory in use. ENERGY: 1717800 721.2085 2096.1217 1959.7185 109.4296 -205827.7217 17548.2699 0.0000 0.0000 33893.4464 -149499.5272 295.9999 -183392.9736 -149411.7165 298.9093 -74.4243 -38.6968 558004.4559 9.1766 9.2703 PRESSURE: 1718000 -29.4344 46.8485 -168.553 46.8488 144.717 56.087 -168.552 56.0855 95.2378 GPRESSURE: 1718000 17.8813 75.799 -178.206 37.1845 205.87 35.0036 -126.226 32.7151 91.8171 PRESSAVG: 1718000 -1.06703 -32.7168 -28.01 -32.7168 19.8188 81.726 -28.0099 81.7259 -18.3333 GPRESSAVG: 1718000 -0.537251 -33.433 -27.3755 -32.664 20.3018 81.6262 -29.606 82.913 -19.3572 TIMING: 1718000 CPU: 5180.55, 0.00298614/step Wall: 5180.55, 0.00298614/step, 2.72237 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: 1718000 715.8825 2048.1809 1923.2800 113.4421 -206357.7398 17911.7991 0.0000 0.0000 34071.6307 -149573.5244 297.5560 -183645.1551 -149476.3996 297.8569 70.1735 105.1893 556737.7299 0.1395 0.1358 PRESSURE: 1718200 -158.171 -59.4318 -22.7361 -59.4321 -25.4413 254.267 -22.7362 254.266 -2.92666 GPRESSURE: 1718200 -44.712 -3.02273 -4.6043 -89.2249 -31.0011 235.98 -78.0436 264.309 -13.5837 PRESSAVG: 1718200 -75.0132 24.9171 -28.0645 24.9172 65.0584 14.8263 -28.0645 14.8265 -3.61594 GPRESSAVG: 1718200 -73.8361 26.2424 -27.4975 23.4 64.2479 13.3097 -27.4982 16.799 -4.09225 TIMING: 1718200 CPU: 5181.15, 0.00300365/step Wall: 5181.15, 0.00300365/step, 2.73816 hours remaining, 207.429688 MB of memory in use. ENERGY: 1718200 714.6743 2055.1132 1909.3349 98.1807 -206121.3055 17773.6027 0.0000 0.0000 33949.1997 -149621.1999 296.4868 -183570.3997 -149527.6477 297.8497 -62.1796 -29.7656 558511.5627 -4.5236 -4.5601 PRESSURE: 1718400 -297.613 -122.444 -69.5172 -122.446 18.4758 42.7129 -69.517 42.7122 -63.6415 GPRESSURE: 1718400 -286.098 -155.409 17.0935 -142.545 61.8403 84.4481 -111.932 43.6143 -19.4535 PRESSAVG: 1718400 -35.6455 -2.27476 -25.8638 -2.27477 18.1824 -18.5449 -25.8638 -18.5449 -13.6048 GPRESSAVG: 1718400 -37.5346 -3.80562 -26.4538 -1.84725 18.5289 -18.3485 -25.7598 -20.1519 -12.1988 TIMING: 1718400 CPU: 5181.75, 0.00300566/step Wall: 5181.75, 0.00300566/step, 2.73983 hours remaining, 207.429688 MB of memory in use. ENERGY: 1718400 737.9165 2062.1362 1925.5645 109.2149 -206362.1409 17725.8189 0.0000 0.0000 34259.1028 -149542.3872 299.1933 -183801.4900 -149443.3669 297.4776 -114.2596 -81.2370 555587.0012 -10.3560 -10.4015 PRESSURE: 1718600 7.73781 30.6927 47.8002 30.6941 -5.90981 43.1528 47.8 43.153 -149.482 GPRESSURE: 1718600 19.3487 58.2996 -5.75262 11.0543 60.4143 -36.9816 57.7631 93.9473 -136.934 PRESSAVG: 1718600 -27.3438 -5.17538 4.77392 -5.1754 62.3145 14.9578 4.77376 14.9578 25.1562 GPRESSAVG: 1718600 -26.4199 -3.2844 4.64012 -5.73895 61.0671 13.3777 5.16432 16.1622 25.1257 TIMING: 1718600 CPU: 5182.35, 0.00300179/step Wall: 5182.35, 0.00300179/step, 2.73614 hours remaining, 207.429688 MB of memory in use. ENERGY: 1718600 715.6180 2075.4265 1897.0847 104.5463 -206583.7147 18007.4796 0.0000 0.0000 34270.7969 -149512.7628 299.2954 -183783.5597 -149425.1148 297.9320 -49.2178 -19.0569 558315.4818 20.0423 19.9243 PRESSURE: 1718800 -33.8561 42.8101 58.878 42.81 -304.166 52.3307 58.8786 52.3319 -160.928 GPRESSURE: 1718800 -56.143 -51.1639 64.0285 40.9399 -232.677 44.9997 72.4704 23.398 -115.989 PRESSAVG: 1718800 -13.8047 -26.4874 56.3776 -26.4874 11.411 -0.906273 56.3777 -0.90621 -5.09365 GPRESSAVG: 1718800 -14.0722 -26.8105 56.3787 -26.6958 12.2458 1.66304 55.4639 -3.32462 -5.2814 TIMING: 1718800 CPU: 5182.95, 0.00299705/step Wall: 5182.95, 0.00299705/step, 2.73165 hours remaining, 207.429688 MB of memory in use. ENERGY: 1718800 722.3868 2074.3849 1917.1099 99.8024 -205961.9598 17598.9312 0.0000 0.0000 34144.2776 -149405.0671 298.1905 -183549.3446 -149307.5046 298.1122 -166.3167 -134.9361 559876.9071 -2.4958 -2.3693 PRESSURE: 1719000 -169.427 51.3494 -10.9524 51.3491 46.1992 42.317 -10.9525 42.3161 -97.0142 GPRESSURE: 1719000 -174.84 -78.6742 15.7191 157.987 109.204 65.6963 2.00078 17.4862 -44.0199 PRESSAVG: 1719000 -6.31345 -8.00869 -19.4006 -8.00869 -49.263 -2.23578 -19.4005 -2.23598 24.8621 GPRESSAVG: 1719000 -6.97678 -7.46973 -17.5039 -7.90182 -49.4147 -5.09843 -18.2809 -1.39195 24.8538 TIMING: 1719000 CPU: 5183.56, 0.00306182/step Wall: 5183.56, 0.00306182/step, 2.79051 hours remaining, 207.429688 MB of memory in use. ENERGY: 1719000 728.9622 2096.9476 1894.6246 114.4311 -205889.9681 17716.4554 0.0000 0.0000 34116.7349 -149221.8124 297.9499 -183338.5473 -149142.3955 298.0904 -73.4141 -36.5519 559737.0065 -10.2381 -10.5125 PRESSURE: 1719200 196.545 -21.5922 -50.1836 -21.5917 -7.46549 -109.649 -50.1827 -109.65 -317.404 GPRESSURE: 1719200 209.157 57.9266 -58.544 4.35967 33.9848 -123.794 -29.5592 -122.717 -268.081 PRESSAVG: 1719200 19.3553 -14.7775 -18.093 -14.7774 -9.12891 20.0463 -18.093 20.0462 -30.6433 GPRESSAVG: 1719200 18.6778 -13.3734 -20.7292 -15.11 -10.2186 21.6767 -17.9243 17.7186 -29.0491 TIMING: 1719200 CPU: 5184.17, 0.00305156/step Wall: 5184.17, 0.00305156/step, 2.78098 hours remaining, 207.429688 MB of memory in use. ENERGY: 1719200 735.8112 2127.5446 1909.5605 114.8883 -205864.1186 17728.1312 0.0000 0.0000 34232.0130 -149016.1698 298.9567 -183248.1828 -148925.0099 299.1798 -42.7751 -8.3132 559332.7912 -6.8057 -6.8633 PRESSURE: 1719400 21.5611 -103.002 65.1474 -103.004 -103.857 38.8677 65.1477 38.8671 140.469 GPRESSURE: 1719400 21.0928 -73.5228 103.548 -41.0768 -95.6191 45.8578 1.45148 65.4624 225.997 PRESSAVG: 1719400 -12.4207 14.1046 -2.60812 14.1046 8.84558 -33.7853 -2.60809 -33.7853 -30.8002 GPRESSAVG: 1719400 -11.8629 13.0778 0.371625 15.5799 8.78792 -33.4775 -3.0477 -30.8654 -31.7694 TIMING: 1719400 CPU: 5184.77, 0.00301397/step Wall: 5184.77, 0.00301397/step, 2.74656 hours remaining, 207.429688 MB of memory in use. ENERGY: 1719400 728.5800 2116.0806 1915.6737 113.8512 -206091.3973 17771.0719 0.0000 0.0000 34250.4761 -149195.6637 299.1179 -183446.1398 -149096.3713 299.2863 19.3912 50.4903 558307.5753 -11.4585 -11.6148 PRESSURE: 1719600 -71.5189 -44.9696 58.0277 -44.9675 -350.167 58.0618 58.0279 58.0612 -242.752 GPRESSURE: 1719600 -73.4109 -29.0166 48.1414 -130.919 -319.036 28.6679 6.25312 89.7697 -190.328 PRESSAVG: 1719600 2.76479 -9.26918 -51.9286 -9.26924 -21.4116 10.6179 -51.9287 10.618 0.988715 GPRESSAVG: 1719600 2.48177 -8.55427 -54.4799 -12.1518 -19.8957 9.73849 -51.4805 10.8501 -0.22762 TIMING: 1719600 CPU: 5185.37, 0.00298652/step Wall: 5185.37, 0.00298652/step, 2.72138 hours remaining, 207.429688 MB of memory in use. ENERGY: 1719600 739.3251 2075.8165 1915.1113 119.6556 -205864.6993 17619.6703 0.0000 0.0000 34415.0508 -148980.0697 300.5552 -183395.1204 -148885.4088 299.2662 -221.4792 -194.2584 559781.7285 -5.8860 -5.8805 PRESSURE: 1719800 -1.19608 30.0833 -92.2271 30.0828 -29.9317 0.627451 -92.2277 0.626573 -34.7666 GPRESSURE: 1719800 16.8301 59.8216 -125.782 -39.6273 51.6337 -19.3767 -7.3025 -28.0134 -43.4649 PRESSAVG: 1719800 -14.5569 32.9657 -60.444 32.9657 29.2662 -67.1017 -60.444 -67.1019 -17.5141 GPRESSAVG: 1719800 -14.2087 33.2494 -61.49 34.2032 28.4795 -66.4846 -60.0941 -66.9877 -16.9643 TIMING: 1719800 CPU: 5185.97, 0.00300147/step Wall: 5185.97, 0.00300147/step, 2.73484 hours remaining, 207.429688 MB of memory in use. ENERGY: 1719800 718.4772 2141.3728 1917.5685 110.9364 -206016.7301 17729.5038 0.0000 0.0000 34414.7544 -148984.1169 300.5526 -183398.8713 -148886.2919 299.7983 -21.9648 8.3330 558294.2653 -0.9349 -0.8978 PRESSURE: 1720000 169.828 -13.2194 -38.4042 -13.2207 115.24 89.068 -38.4048 89.0677 -52.8487 GPRESSURE: 1720000 213.201 9.11245 25.4751 -41.767 135.934 59.844 -1.62323 109.732 -17.632 PRESSAVG: 1720000 113.305 24.1973 -40.4342 24.1973 29.2164 28.9856 -40.4343 28.9855 -109.189 GPRESSAVG: 1720000 113.61 21.7919 -36.1432 24.7282 29.6664 29.4017 -42.4224 27.2784 -109.019 TIMING: 1720000 CPU: 5186.58, 0.00302056/step Wall: 5186.58, 0.00302056/step, 2.75206 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: 1720000 739.6543 2096.5183 1922.5143 120.8554 -206316.8700 18001.0115 0.0000 0.0000 34380.9837 -149055.3325 300.2577 -183436.3162 -148958.0089 300.2227 77.4064 110.5012 557835.2174 11.1108 11.4191 PRESSURE: 1720200 -168.135 146.537 -32.8382 146.538 93.8112 6.40122 -32.8397 6.40098 20.4656 GPRESSURE: 1720200 -46.8402 110.02 -29.4601 135.723 52.8817 7.98904 -176.462 128.693 44.5792 PRESSAVG: 1720200 88.4504 29.1339 32.1263 29.1339 -28.8973 66.6169 32.1263 66.6169 -18.5103 GPRESSAVG: 1720200 88.9122 29.3255 29.5149 27.7446 -29.578 64.7622 33.4264 67.9672 -17.8282 TIMING: 1720200 CPU: 5187.18, 0.00302107/step Wall: 5187.18, 0.00302107/step, 2.75236 hours remaining, 207.429688 MB of memory in use. ENERGY: 1720200 741.6330 2092.6414 1900.2909 113.5967 -205814.2438 17681.7123 0.0000 0.0000 34245.9909 -149038.3786 299.0788 -183284.3695 -148942.4378 299.9151 -17.9527 16.8736 556124.6456 13.6810 13.8353 LDB: ============= START OF LOAD BALANCING ============== 5190.7 LDB: ============== END OF LOAD BALANCING =============== 5190.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5190.7 LDB: ============= START OF LOAD BALANCING ============== 5191 LDB: Largest compute 4800 load 0.032055 is 27.2% of average load 0.117946 LDB: Average compute 0.001745 is 1.5% of average load 0.117946 LDB: TIME 5191 LOAD: AVG 0.117946 MAX 0.210783 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.047 MB LDB: TIME 5191 LOAD: AVG 0.117946 MAX 0.210783 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.117 MB LDB: TIME 5191 LOAD: AVG 0.117946 MAX 0.210783 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.117 MB LDB: ============== END OF LOAD BALANCING =============== 5191 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5191.01 PRESSURE: 1720400 338.399 -69.6065 -135.762 -69.6055 -163.705 -87.757 -135.761 -87.7568 226.947 GPRESSURE: 1720400 386.985 -28.6591 -46.1793 -42.0672 -83.8951 -23.216 -112.791 -100.629 202.062 PRESSAVG: 1720400 10.9352 -5.80916 16.6727 -5.80914 -20.3585 31.0763 16.6728 31.0762 15.2421 GPRESSAVG: 1720400 10.117 -3.29177 19.2094 -4.83613 -19.0688 34.4093 14.2766 30.4874 14.5542 TIMING: 1720400 CPU: 5187.79, 0.00305654/step Wall: 5187.79, 0.00305654/step, 2.78451 hours remaining, 207.179688 MB of memory in use. ENERGY: 1720400 762.3445 2067.8125 1916.8828 118.8037 -206001.6715 17912.8107 0.0000 0.0000 34192.3809 -149030.6364 298.6106 -183223.0173 -148940.2127 299.8840 133.8804 168.3842 556397.1297 1.9396 1.8675 PRESSURE: 1720600 -222.281 -77.5744 166.447 -77.5745 -41.7728 44.0171 166.448 44.0185 -253.998 GPRESSURE: 1720600 -193.965 -54.246 145.695 -146.137 -66.3548 30.3089 195.524 -20.0037 -159.69 PRESSAVG: 1720600 44.3762 26.5858 -38.1435 26.5859 0.691462 -17.4642 -38.1435 -17.4641 -80.8234 GPRESSAVG: 1720600 44.0989 25.8552 -40.566 26.5423 0.723759 -19.1683 -35.534 -17.6029 -79.855 TIMING: 1720600 CPU: 5188.39, 0.00300737/step Wall: 5188.39, 0.00300737/step, 2.73955 hours remaining, 207.382812 MB of memory in use. ENERGY: 1720600 727.1115 2110.0755 1908.3891 111.7279 -205802.8520 17653.1616 0.0000 0.0000 34369.9371 -148922.4494 300.1612 -183292.3865 -148823.6415 299.8338 -172.6837 -140.0033 558856.2918 -11.9186 -11.6774 PRESSURE: 1720800 -268.088 -168.704 -59.2132 -168.703 -213.565 -29.5911 -59.2138 -29.5896 -247.748 GPRESSURE: 1720800 -195.281 -111.41 -38.8665 -178.979 -179.021 -118.042 -42.1797 -11.9723 -249.002 PRESSAVG: 1720800 -55.374 9.09662 -3.35281 9.09671 8.49009 11.9916 -3.35279 11.9916 50.3755 GPRESSAVG: 1720800 -55.0188 7.84054 -0.809463 7.55214 8.26213 10.9346 -3.99254 14.3063 49.9577 TIMING: 1720800 CPU: 5189, 0.00301964/step Wall: 5189, 0.00301964/step, 2.75056 hours remaining, 207.382812 MB of memory in use. ENERGY: 1720800 775.8093 2095.1303 1936.6216 112.8616 -205498.7433 17323.2994 0.0000 0.0000 34286.8721 -148968.1489 299.4358 -183255.0210 -148870.7238 300.1875 -243.1335 -207.7681 557209.0615 1.1639 1.0670 PRESSURE: 1721000 -104.323 134.595 38.8922 134.596 -142.232 124.298 38.8929 124.297 29.9376 GPRESSURE: 1721000 -56.7516 143.704 -33.2495 68.4556 -159.509 199.376 85.6949 164.015 92.844 PRESSAVG: 1721000 -4.38621 -58.4128 17.2401 -58.4129 21.0863 7.33875 17.2401 7.33872 10.799 GPRESSAVG: 1721000 -4.29078 -57.5893 16.3216 -57.2852 20.9263 7.40566 16.6899 6.6324 10.3793 TIMING: 1721000 CPU: 5189.6, 0.00302815/step Wall: 5189.6, 0.00302815/step, 2.75814 hours remaining, 207.382812 MB of memory in use. ENERGY: 1721000 752.1015 2085.3681 1928.8695 120.1792 -205766.1446 17579.5497 0.0000 0.0000 34366.6820 -148933.3945 300.1328 -183300.0764 -148828.8356 299.9005 -72.2060 -41.1390 558046.9409 9.1664 9.0049 PRESSURE: 1721200 106.696 24.4808 45.2756 24.481 -163.363 58.7131 45.2765 58.7105 59.2899 GPRESSURE: 1721200 120.943 -70.0637 109.916 29.2286 -100.603 139.415 16.8946 26.084 83.1651 PRESSAVG: 1721200 -5.47075 -64.5197 74.0847 -64.5197 -8.39009 110.003 74.0846 110.003 8.98543 GPRESSAVG: 1721200 -5.68077 -66.0571 75.2874 -64.43 -8.83492 110.549 74.1893 109.987 10.0046 TIMING: 1721200 CPU: 5190.21, 0.00302067/step Wall: 5190.21, 0.00302067/step, 2.75116 hours remaining, 207.382812 MB of memory in use. ENERGY: 1721200 801.6301 2051.4451 1935.7409 116.1680 -206002.0017 17922.4068 0.0000 0.0000 34279.9565 -148894.6542 299.3754 -183174.6107 -148798.1103 300.3108 0.8745 34.5017 558389.2559 -1.6251 -1.5037 PRESSURE: 1721400 -84.451 87.0021 -200.61 87.0027 198.037 -12.6026 -200.61 -12.6042 -170.978 GPRESSURE: 1721400 -69.6554 98.0532 -196.558 20.1302 241.644 -63.5883 -206.955 39.4507 -138.318 PRESSAVG: 1721400 20.4149 -29.8956 15.1678 -29.8956 -39.6438 3.93477 15.168 3.93468 22.7787 GPRESSAVG: 1721400 22.3895 -28.373 11.8658 -30.8844 -39.5514 3.94848 16.6108 3.6474 21.1047 TIMING: 1721400 CPU: 5190.82, 0.00305428/step Wall: 5190.82, 0.00305428/step, 2.7816 hours remaining, 207.382812 MB of memory in use. ENERGY: 1721400 761.1155 2123.4534 1929.2390 108.1436 -205946.3771 17793.5053 0.0000 0.0000 34328.0652 -148902.8550 299.7955 -183230.9202 -148810.4818 300.6693 -19.1307 11.2235 557327.6370 1.1833 1.3143 PRESSURE: 1721600 83.8343 -64.3441 -24.3424 -64.3435 8.42542 90.9199 -24.3422 90.9199 -14.8494 GPRESSURE: 1721600 153.001 -65.0407 -107.725 22.1039 -26.7562 139.245 41.0285 62.8228 46.1673 PRESSAVG: 1721600 -15.9958 40.5667 22.0842 40.5666 -40.5996 16.9828 22.0842 16.9827 27.587 GPRESSAVG: 1721600 -17.5331 38.8847 22.168 42.87 -39.4806 19.1598 23.6665 14.6831 28.3345 TIMING: 1721600 CPU: 5191.42, 0.00301964/step Wall: 5191.42, 0.00301964/step, 2.74988 hours remaining, 207.382812 MB of memory in use. ENERGY: 1721600 755.2615 2144.0090 1946.8676 119.8767 -205896.1597 17776.6457 0.0000 0.0000 34276.0755 -148877.4236 299.3415 -183153.4991 -148782.5297 300.3798 25.8034 57.4707 557090.6344 -9.6695 -9.5597 PRESSURE: 1721800 124.396 -67.3393 -122.023 -67.3397 15.289 -62.6032 -122.023 -62.6049 -7.50629 GPRESSURE: 1721800 173.423 -47.0192 -117.548 -16.1295 32.2939 -49.3125 -178.015 19.2795 31.2924 PRESSAVG: 1721800 -16.2709 -21.2301 -52.2609 -21.2301 -14.2116 50.0448 -52.2609 50.0448 12.9195 GPRESSAVG: 1721800 -16.6398 -21.3987 -52.4823 -21.878 -14.0764 48.9541 -54.2215 53.0465 13.5061 TIMING: 1721800 CPU: 5192.03, 0.00303606/step Wall: 5192.03, 0.00303606/step, 2.76467 hours remaining, 207.449219 MB of memory in use. ENERGY: 1721800 772.8522 2086.4078 1935.6740 108.2884 -205858.3809 17656.3431 0.0000 0.0000 34381.4484 -148917.3671 300.2617 -183298.8155 -148821.0238 300.2545 44.0596 79.0029 557872.1823 -5.8543 -5.7367 PRESSURE: 1722000 -55.6232 149.814 151.278 149.813 -182.336 34.6567 151.279 34.6569 1.56223 GPRESSURE: 1722000 -70.914 171.888 159.062 210.066 -69.6022 -0.681213 95.6007 35.1773 1.6424 PRESSAVG: 1722000 9.59632 10.365 15.9999 10.3649 -15.0876 -59.7344 15.9999 -59.7345 -23.8119 GPRESSAVG: 1722000 9.83595 12.6892 16.4119 9.80078 -15.4649 -60.7175 15.5044 -60.7804 -23.6569 TIMING: 1722000 CPU: 5192.63, 0.00302046/step Wall: 5192.63, 0.00302046/step, 2.75029 hours remaining, 207.449219 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: 1722000 760.0954 2150.4428 1943.2253 113.3909 -205796.5984 17668.7681 0.0000 0.0000 34113.1521 -149047.5238 297.9186 -183160.6759 -148954.1089 300.1180 -78.7991 -46.2913 557720.3485 -9.7677 -9.7619 PRESSURE: 1722200 70.6226 107.54 -120.486 107.54 9.80288 -25.7274 -120.487 -25.7282 124.065 GPRESSURE: 1722200 148.499 135.205 -214.139 94.3499 18.9519 -29.321 -48.2764 24.642 130.212 PRESSAVG: 1722200 1.4788 26.2342 -16.2794 26.2342 65.5963 11.6896 -16.2794 11.6896 -23.1326 GPRESSAVG: 1722200 1.78319 25.4016 -14.6196 27.1977 66.4577 11.7552 -16.4928 11.7277 -24.3567 TIMING: 1722200 CPU: 5193.24, 0.00304507/step Wall: 5193.24, 0.00304507/step, 2.77253 hours remaining, 207.449219 MB of memory in use. ENERGY: 1722200 760.8684 2129.0697 1933.5642 115.3433 -205944.9105 17896.6695 0.0000 0.0000 34145.5021 -148963.8934 298.2012 -183109.3955 -148871.4609 300.0360 68.1635 99.2211 556855.7739 14.6475 14.6281 PRESSURE: 1722400 22.1581 91.9417 41.4713 91.9411 109.763 0.278183 41.4717 0.27875 -160.19 GPRESSURE: 1722400 71.8793 52.7312 1.39071 74.5779 177.833 -66.3647 78.2235 -31.6756 -187.14 PRESSAVG: 1722400 -11.9777 -22.1292 -48.3546 -22.1291 30.8021 55.2833 -48.3545 55.2832 -23.3042 GPRESSAVG: 1722400 -12.0658 -20.5735 -49.0975 -23.0674 29.8663 54.9435 -48.4622 53.7445 -22.0331 TIMING: 1722400 CPU: 5193.85, 0.003028/step Wall: 5193.85, 0.003028/step, 2.75682 hours remaining, 207.449219 MB of memory in use. ENERGY: 1722400 719.0453 2092.3722 1931.4006 103.7375 -205789.1831 17707.2086 0.0000 0.0000 34332.8831 -148902.5357 299.8376 -183235.4188 -148806.6522 300.6488 -9.4228 20.8575 557342.6618 -1.4932 -1.4109 PRESSURE: 1722600 -108.673 149.519 32.9521 149.519 -77.4704 40.9924 32.9529 40.9924 123.226 GPRESSURE: 1722600 -36.0115 226.229 19.3452 39.3799 -121.08 67.6855 -27.3279 45.8528 188.748 PRESSAVG: 1722600 -51.6997 9.58055 22.3707 9.58044 40.3316 20.657 22.3708 20.657 -4.98418 GPRESSAVG: 1722600 -52.1106 8.96788 24.1798 9.09365 40.9599 22.7209 21.7188 21.4139 -5.17597 TIMING: 1722600 CPU: 5194.46, 0.00303811/step Wall: 5194.46, 0.00303811/step, 2.76586 hours remaining, 207.449219 MB of memory in use. ENERGY: 1722600 772.8709 2041.6301 1938.1308 96.5328 -205631.3157 17585.0577 0.0000 0.0000 34235.9747 -148961.1186 298.9913 -183197.0933 -148872.5257 300.1595 -20.9725 10.5519 556795.6908 -5.4508 -5.4422 PRESSURE: 1722800 30.4325 110.653 245.292 110.654 -153.176 -137.57 245.292 -137.57 -47.9849 GPRESSURE: 1722800 50.0718 97.6517 259.664 96.5517 -110.88 -219.241 230.569 -47.4832 -3.40787 PRESSAVG: 1722800 -7.551 75.004 -6.27344 75.0041 -24.1671 -36.2686 -6.27336 -36.2685 15.6202 GPRESSAVG: 1722800 -5.54211 73.581 -8.23607 76.6342 -24.5951 -35.7618 -6.93623 -37.695 14.6999 TIMING: 1722800 CPU: 5195.06, 0.00301087/step Wall: 5195.06, 0.00301087/step, 2.74089 hours remaining, 207.449219 MB of memory in use. ENERGY: 1722800 740.1038 2086.0893 1931.5506 109.3996 -205985.5071 17812.1202 0.0000 0.0000 34225.7343 -149080.5092 298.9019 -183306.2435 -148986.1833 300.2276 -56.9094 -21.4054 557933.8004 -5.3659 -5.1457 PRESSURE: 1723000 42.3825 175.049 -1.28398 175.049 4.99757 -21.96 -1.28431 -21.9595 -34.9095 GPRESSURE: 1723000 87.8502 153.383 39.9287 128.828 43.2057 -124.611 -51.3922 36.4555 -23.1869 PRESSAVG: 1723000 -39.5306 12.8381 12.1813 12.838 5.57475 -26.4065 12.1812 -26.4065 16.3474 GPRESSAVG: 1723000 -41.4624 14.4882 15.6531 10.4228 6.01882 -27.3966 11.0977 -24.4369 17.0535 TIMING: 1723000 CPU: 5195.66, 0.0030099/step Wall: 5195.66, 0.0030099/step, 2.73985 hours remaining, 207.449219 MB of memory in use. ENERGY: 1723000 772.9351 2124.5799 1923.7522 105.2278 -206062.0769 17692.6983 0.0000 0.0000 34261.6588 -149181.2248 299.2156 -183442.8836 -149084.6734 299.6772 4.1568 35.9563 557062.2238 -5.8695 -6.1300 PRESSURE: 1723200 -201.661 -56.3619 27.8862 -56.3622 -128.484 46.8828 27.8865 46.8825 -91.2713 GPRESSURE: 1723200 -183.028 -78.3812 -19.2335 -118.948 -84.608 101.763 43.9025 7.16593 -64.1494 PRESSAVG: 1723200 0.586075 31.8477 5.81023 31.8477 10.1307 -21.9417 5.81031 -21.9418 -9.35662 GPRESSAVG: 1723200 -0.81013 30.2618 2.04834 31.8328 9.74168 -21.7646 7.43286 -22.2557 -8.12528 TIMING: 1723200 CPU: 5196.26, 0.00302315/step Wall: 5196.26, 0.00302315/step, 2.75174 hours remaining, 207.449219 MB of memory in use. ENERGY: 1723200 728.8709 2055.9706 1951.4197 110.5360 -205595.5045 17522.5847 0.0000 0.0000 34304.5485 -148921.5742 299.5902 -183226.1227 -148821.7712 299.4204 -140.4719 -110.5952 559159.9596 0.4534 0.2688 PRESSURE: 1723400 -256.649 177.896 5.62938 177.896 -237.657 4.86605 5.62841 4.86636 118.934 GPRESSURE: 1723400 -238.955 223.82 41.8848 174.044 -178.764 0.00375146 -5.50931 -16.6109 141.167 PRESSAVG: 1723400 56.0631 -7.40757 -12.7119 -7.4075 -72.0919 25.4466 -12.7119 25.4466 20.3084 GPRESSAVG: 1723400 56.9995 -7.21349 -11.4846 -6.37846 -72.0396 23.9929 -10.8791 25.3802 19.5073 TIMING: 1723400 CPU: 5196.87, 0.00301182/step Wall: 5196.87, 0.00301182/step, 2.74126 hours remaining, 207.449219 MB of memory in use. ENERGY: 1723400 741.3729 2104.3991 1938.7803 115.0068 -206126.3627 17705.7711 0.0000 0.0000 34439.5828 -149081.4499 300.7694 -183521.0326 -148989.9220 299.8511 -125.1240 -92.1840 558017.1907 1.4265 1.4891 PRESSURE: 1723600 114.565 2.03722 233.704 2.03795 -136.539 -14.9636 233.704 -14.9661 63.2993 GPRESSURE: 1723600 151.917 87.3031 197.886 -46.4063 -117.932 -124.271 234.432 95.3893 106.433 PRESSAVG: 1723600 -16.6534 49.7203 -1.769 49.7202 -34.6369 5.77823 -1.76905 5.77825 37.4373 GPRESSAVG: 1723600 -16.8356 51.3657 -2.83839 48.4901 -33.8441 7.44635 -3.21293 5.6256 36.5818 TIMING: 1723600 CPU: 5197.47, 0.00299321/step Wall: 5197.47, 0.00299321/step, 2.72416 hours remaining, 207.449219 MB of memory in use. ENERGY: 1723600 746.2032 2098.5781 1948.5473 123.7851 -206262.9954 17863.2283 0.0000 0.0000 34543.2056 -148939.4478 301.6744 -183482.6534 -148849.8407 299.4835 13.7750 46.8062 557537.5955 -4.6177 -4.6993 PRESSURE: 1723800 -268.55 164.835 49.1272 164.835 -258.391 27.3328 49.1271 27.3332 -10.6033 GPRESSURE: 1723800 -259.332 213.115 36.6238 109.753 -195.704 47.6581 20.062 54.0337 -4.01991 PRESSAVG: 1723800 28.29 21.0399 20.9391 21.0397 -112.34 19.4849 20.9391 19.485 65.3001 GPRESSAVG: 1723800 29.1054 21.6179 21.2502 19.3144 -113.24 19.7922 21.7962 19.5951 65.062 TIMING: 1723800 CPU: 5198.07, 0.00300658/step Wall: 5198.07, 0.00300658/step, 2.73615 hours remaining, 207.449219 MB of memory in use. ENERGY: 1723800 759.2670 2065.9464 1942.5259 110.8412 -205609.5086 17448.9794 0.0000 0.0000 34088.2884 -149193.6602 297.7015 -183281.9487 -149096.3725 299.2820 -179.1816 -153.0187 558036.7374 -6.2501 -6.3575 PRESSURE: 1724000 225.681 26.6548 21.6168 26.6552 62.8216 168.712 21.6172 168.712 110.096 GPRESSURE: 1724000 290.028 -4.01083 67.6929 -6.46478 53.2355 122.884 94.3699 165.468 150.393 PRESSAVG: 1724000 34.5802 28.4805 4.11036 28.4806 18.5478 27.019 4.11033 27.019 -17.0079 GPRESSAVG: 1724000 35.2123 25.1198 4.26368 30.8928 18.066 25.668 2.69219 25.3084 -17.623 TIMING: 1724000 CPU: 5198.67, 0.00301633/step Wall: 5198.67, 0.00301633/step, 2.74486 hours remaining, 207.449219 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: 1724000 743.0169 2025.9088 1931.6934 112.5726 -206325.2770 18013.5580 0.0000 0.0000 34209.7645 -149288.7628 298.7624 -183498.5273 -149190.8580 299.3086 132.8664 164.5522 557872.1440 12.0400 11.8851 PRESSURE: 1724200 315.492 21.4711 50.3484 21.4706 113.451 -44.181 50.3496 -44.1806 148.96 GPRESSURE: 1724200 368.483 -84.6467 29.0018 163.519 196.473 -9.20749 58.4357 -120.229 121.95 PRESSAVG: 1724200 58.1501 -26.9563 -5.00024 -26.9563 -76.3609 8.98639 -5.00019 8.9863 6.4933 GPRESSAVG: 1724200 57.5126 -26.5855 -6.03628 -24.9235 -76.6862 11.9929 -5.41324 9.95393 7.35758 TIMING: 1724200 CPU: 5199.27, 0.00299934/step Wall: 5199.27, 0.00299934/step, 2.72923 hours remaining, 207.449219 MB of memory in use. ENERGY: 1724200 722.4009 2117.7216 1940.0486 107.0569 -206716.4353 18264.2993 0.0000 0.0000 34317.4188 -149247.4892 299.7026 -183564.9080 -149144.3138 299.4054 192.6344 228.9685 557364.1172 -3.9058 -3.9387 LDB: ============= START OF LOAD BALANCING ============== 5202.79 LDB: ============== END OF LOAD BALANCING =============== 5202.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5202.79 LDB: ============= START OF LOAD BALANCING ============== 5203.09 LDB: Largest compute 4800 load 0.032975 is 28.0% of average load 0.117921 LDB: Average compute 0.001747 is 1.5% of average load 0.117921 LDB: TIME 5203.09 LOAD: AVG 0.117921 MAX 0.214532 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.297 MB LDB: TIME 5203.09 LOAD: AVG 0.117921 MAX 0.214532 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.367 MB LDB: TIME 5203.09 LOAD: AVG 0.117921 MAX 0.214532 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.367 MB LDB: ============== END OF LOAD BALANCING =============== 5203.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5203.1 PRESSURE: 1724400 266.402 41.7523 85.8689 41.7526 -76.1611 -79.5253 85.8693 -79.5271 34.5323 GPRESSURE: 1724400 280.609 16.577 181.93 -10.3745 -32.7912 -135.998 1.96633 -7.20152 60.4741 PRESSAVG: 1724400 2.59491 19.2959 58.6156 19.2959 -12.5951 -5.47077 58.6158 -5.47081 21.0184 GPRESSAVG: 1724400 1.99662 18.7713 61.1078 17.3993 -11.6722 -7.07286 57.6349 -4.04241 20.3888 TIMING: 1724400 CPU: 5199.88, 0.00306595/step Wall: 5199.88, 0.00306595/step, 2.78967 hours remaining, 207.621094 MB of memory in use. ENERGY: 1724400 756.4200 2077.8593 1921.7681 113.3165 -206240.0403 17916.0482 0.0000 0.0000 34223.1130 -149231.5152 298.8790 -183454.6282 -149141.2238 299.0139 74.9243 102.7639 558212.9279 3.6727 3.5711 PRESSURE: 1724600 278.352 40.5093 51.5929 40.5093 -97.0709 -53.5815 51.5923 -53.5831 68.9354 GPRESSURE: 1724600 225.322 68.2412 1.91819 -11.6439 -25.4835 -60.605 104.717 -57.6339 148.806 PRESSAVG: 1724600 6.55086 5.47281 38.6174 5.47286 32.4811 1.19801 38.6174 1.19792 -8.1404 GPRESSAVG: 1724600 6.61991 8.29931 33.8528 3.48646 31.6599 0.885318 41.361 1.56239 -7.24977 TIMING: 1724600 CPU: 5200.49, 0.00304577/step Wall: 5200.49, 0.00304577/step, 2.77114 hours remaining, 207.707031 MB of memory in use. ENERGY: 1724600 723.7641 2105.3081 1938.4886 117.2518 -206089.7251 17855.6933 0.0000 0.0000 34090.7324 -149258.4867 297.7228 -183349.2191 -149160.6184 299.2222 83.4054 116.2149 557402.7448 10.2972 10.3433 PRESSURE: 1724800 -185.892 16.8115 -171.045 16.8114 167.365 -99.7134 -171.045 -99.7148 200.154 GPRESSURE: 1724800 -111.954 -89.2666 -160.812 106.07 202.552 -110.407 -202.566 -40.4761 193.614 PRESSAVG: 1724800 -26.2337 34.7478 -14.4782 34.7477 27.6649 -32.1973 -14.4781 -32.1972 -19.5168 GPRESSAVG: 1724800 -26.4935 32.742 -12.8621 36.387 27.9422 -31.4977 -16.6086 -32.7567 -19.9983 TIMING: 1724800 CPU: 5201.09, 0.00300623/step Wall: 5201.09, 0.00300623/step, 2.735 hours remaining, 207.707031 MB of memory in use. ENERGY: 1724800 758.1917 2082.8969 1939.0629 110.1356 -206455.7597 18097.4363 0.0000 0.0000 34211.6447 -149256.3917 298.7788 -183468.0365 -149162.7053 299.6152 60.5423 94.7372 558245.6360 -6.0285 -6.1832 PRESSURE: 1725000 -33.8516 -42.7893 -181.72 -42.7887 -19.6433 54.1173 -181.719 54.1183 39.0245 GPRESSURE: 1725000 8.39636 -37.3111 -205.183 -103.442 -21.5749 39.3038 -195.225 97.556 88.8649 PRESSAVG: 1725000 -35.5346 13.1738 -47.2807 13.1739 14.5236 29.1073 -47.2807 29.1074 20.0377 GPRESSAVG: 1725000 -35.5194 14.3451 -45.5246 14.0879 14.5031 28.7732 -47.7038 29.6279 19.9069 TIMING: 1725000 CPU: 5201.7, 0.00300781/step Wall: 5201.7, 0.00300781/step, 2.73627 hours remaining, 207.707031 MB of memory in use. ENERGY: 1725000 733.0724 2108.8914 1912.4353 119.0556 -206320.1565 17791.2327 0.0000 0.0000 34257.9870 -149397.4822 299.1835 -183655.4692 -149299.7343 299.1024 -4.8235 25.2288 557169.7611 -0.3244 -0.3698 PRESSURE: 1725200 -34.7303 122.238 -41.9359 122.238 143.088 -34.1951 -41.9342 -34.1947 40.5817 GPRESSURE: 1725200 15.037 35.1492 -49.497 160.756 158.787 -100.659 -43.54 -19.5575 69.669 PRESSAVG: 1725200 -51.3203 23.0332 -34.9004 23.0333 16.058 38.7275 -34.9005 38.7276 41.6749 GPRESSAVG: 1725200 -50.649 22.1052 -37.3809 23.0536 15.794 38.2406 -33.5673 37.4647 41.4172 TIMING: 1725200 CPU: 5202.3, 0.00301423/step Wall: 5202.3, 0.00301423/step, 2.74194 hours remaining, 207.707031 MB of memory in use. ENERGY: 1725200 748.7410 2088.0339 1911.3459 112.7716 -206380.0910 17921.4627 0.0000 0.0000 34154.6254 -149443.1105 298.2808 -183597.7359 -149349.7723 297.9223 49.6463 81.1642 557972.1407 2.1375 2.1874 PRESSURE: 1725400 -45.6002 -16.1394 -70.6579 -16.1399 -93.226 243.946 -70.6603 243.946 3.47609 GPRESSURE: 1725400 -34.1073 -11.4708 -97.479 68.2135 -100.429 218.67 -48.0971 166.522 103.783 PRESSAVG: 1725400 -26.0623 3.1886 18.805 3.18857 31.5337 49.3078 18.805 49.3078 2.43233 GPRESSAVG: 1725400 -26.2487 3.96168 22.3209 1.11662 31.098 50.3589 19.0564 49.8767 3.04813 TIMING: 1725400 CPU: 5202.9, 0.00300491/step Wall: 5202.9, 0.00300491/step, 2.7333 hours remaining, 207.707031 MB of memory in use. ENERGY: 1725400 737.5552 2074.1887 1915.1783 117.2881 -206401.8519 17869.6135 0.0000 0.0000 34411.7706 -149276.2575 300.5266 -183688.0281 -149189.4611 298.7550 -45.1167 -10.2512 557796.0596 2.6346 2.6325 PRESSURE: 1725600 -132.039 26.1137 35.4687 26.1155 -90.4817 28.3579 35.4682 28.3584 18.0672 GPRESSURE: 1725600 -82.391 77.8594 -2.26958 135.1 -20.8006 -22.7842 -5.6267 61.3298 3.05896 PRESSAVG: 1725600 13.3072 10.9186 37.0195 10.9186 32.9004 35.5479 37.0195 35.5479 -29.6617 GPRESSAVG: 1725600 13.3274 10.8586 34.6588 14.0079 33.979 34.1671 36.1371 35.6745 -30.3908 TIMING: 1725600 CPU: 5203.5, 0.00299457/step Wall: 5203.5, 0.00299457/step, 2.72373 hours remaining, 207.707031 MB of memory in use. ENERGY: 1725600 746.4444 2083.6665 1943.8288 117.1099 -206268.5007 17897.5915 0.0000 0.0000 34252.6845 -149227.1753 299.1372 -183479.8598 -149124.2238 298.8045 -68.1510 -33.3776 557797.0471 5.5153 5.6385 PRESSURE: 1725800 -10.9953 63.1813 109.723 63.1805 -327.672 -217.307 109.725 -217.306 -257.627 GPRESSURE: 1725800 23.9782 85.7809 116.759 100.493 -263.35 -231.653 134.041 -222.09 -247.584 PRESSAVG: 1725800 8.12628 8.19086 38.1968 8.19082 20.1088 -61.3116 38.1967 -61.3115 15.0268 GPRESSAVG: 1725800 8.31938 7.75211 38.9792 6.81803 21.2342 -60.574 39.5258 -62.3836 13.3115 TIMING: 1725800 CPU: 5204.1, 0.0030118/step Wall: 5204.1, 0.0030118/step, 2.73923 hours remaining, 207.707031 MB of memory in use. ENERGY: 1725800 720.2755 2062.8925 1901.1084 101.0510 -206032.1845 17619.8911 0.0000 0.0000 34341.9682 -149284.9977 299.9169 -183626.9660 -149187.0569 299.2550 -198.7645 -162.3186 558448.4223 14.4206 14.2884 PRESSURE: 1726000 21.3783 -31.3471 -142.274 -31.3486 -115.594 156.054 -142.275 156.053 -53.2677 GPRESSURE: 1726000 55.8858 -44.9154 -137.526 -13.9522 -43.7017 183.575 -96.8933 127.845 -58.0426 PRESSAVG: 1726000 12.5853 -7.56993 19.7848 -7.56994 35.8576 23.6148 19.7849 23.6149 -71.5594 GPRESSAVG: 1726000 13.1097 -7.83751 19.2951 -8.50756 33.6553 24.7029 19.9279 22.907 -69.6632 TIMING: 1726000 CPU: 5204.7, 0.0029925/step Wall: 5204.7, 0.0029925/step, 2.72152 hours remaining, 207.707031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1726000 718.9888 2100.0896 1930.9298 118.3221 -206258.5578 17918.5214 0.0000 0.0000 34293.3418 -149178.3643 299.4923 -183471.7061 -149071.7039 298.9703 -49.1613 -15.2862 559143.1945 -7.7055 -7.6327 PRESSURE: 1726200 -32.613 91.6611 -19.634 91.6605 -186.862 42.3706 -19.6342 42.371 -37.4437 GPRESSURE: 1726200 -0.396101 65.4611 -12.117 60.8829 -187.472 -53.9286 1.2107 116.095 30.0968 PRESSAVG: 1726200 42.2574 29.8573 -17.6662 29.8573 -27.5622 10.3493 -17.6662 10.3493 -27.4833 GPRESSAVG: 1726200 41.7692 30.5146 -18.3023 30.836 -26.1801 9.78627 -17.4563 11.1809 -27.7657 TIMING: 1726200 CPU: 5205.3, 0.00300281/step Wall: 5205.3, 0.00300281/step, 2.73072 hours remaining, 207.707031 MB of memory in use. ENERGY: 1726200 727.2430 2123.2869 1920.0773 112.2899 -206405.8081 17802.7512 0.0000 0.0000 34346.4074 -149373.7524 299.9557 -183720.1598 -149273.7229 298.5110 -85.6396 -52.5905 559057.6172 -4.2627 -4.0589 PRESSURE: 1726400 -97.7878 -202.051 184.992 -202.05 -116.257 100.093 184.991 100.092 -249.228 GPRESSURE: 1726400 -58.8561 -231.316 143.214 -199.95 -85.0985 33.4036 178.081 40.7449 -229.093 PRESSAVG: 1726400 57.4468 -37.48 36.6668 -37.48 25.6819 -13.5828 36.6667 -13.5828 -41.4256 GPRESSAVG: 1726400 58.0228 -39.0383 37.4008 -37.7736 25.2963 -15.3489 37.2338 -13.4677 -41.2145 TIMING: 1726400 CPU: 5205.9, 0.00302108/step Wall: 5205.9, 0.00302108/step, 2.74717 hours remaining, 207.707031 MB of memory in use. ENERGY: 1726400 750.5417 2055.3242 1936.6133 120.6753 -206032.5136 17542.2156 0.0000 0.0000 34188.7209 -149438.4226 298.5786 -183627.1435 -149346.4363 298.8524 -154.4243 -124.3493 558001.3009 13.9010 14.0349 PRESSURE: 1726600 131.817 40.1817 -181.252 40.1811 -112.907 59.8914 -181.252 59.8932 -9.32172 GPRESSURE: 1726600 133.078 62.5404 -184.508 62.0409 -24.2512 -29.1338 -93.3707 137.928 3.21807 PRESSAVG: 1726600 31.6048 -53.3184 2.51841 -53.3184 58.2165 29.7591 2.51837 29.759 -72.1722 GPRESSAVG: 1726600 32.3276 -50.6556 3.26195 -55.6499 57.1049 31.9428 0.64742 30.6306 -71.8402 TIMING: 1726600 CPU: 5206.51, 0.00301342/step Wall: 5206.51, 0.00301342/step, 2.74004 hours remaining, 207.707031 MB of memory in use. ENERGY: 1726600 739.3299 2130.7269 1929.2919 109.6588 -206477.1267 17809.2194 0.0000 0.0000 34253.2201 -149505.6796 299.1419 -183758.8997 -149411.5367 298.9480 3.1961 37.3482 556152.1747 5.8830 5.8641 PRESSURE: 1726800 132.239 146.171 54.5882 146.171 -148.208 -27.3699 54.5892 -27.3707 -45.0867 GPRESSURE: 1726800 178.515 166.844 24.6607 132.542 -83.4594 -56.9342 4.14535 -25.6784 -51.2985 PRESSAVG: 1726800 -4.90261 1.08765 -38.9483 1.08767 50.2626 16.1263 -38.9483 16.1264 -27.7753 GPRESSAVG: 1726800 -6.67991 -1.10979 -41.3557 5.09398 51.5124 15.7828 -37.0275 15.9815 -27.1095 TIMING: 1726800 CPU: 5207.11, 0.00300172/step Wall: 5207.11, 0.00300172/step, 2.72923 hours remaining, 207.707031 MB of memory in use. ENERGY: 1726800 727.9576 2091.7057 1949.1679 106.1691 -206244.8252 17662.3014 0.0000 0.0000 34325.1434 -149382.3800 299.7700 -183707.5234 -149282.7717 298.9693 -20.3517 14.5859 557498.6782 5.8615 5.9077 PRESSURE: 1727000 113.111 90.3592 -72.9387 90.3594 -141.793 -188.338 -72.9373 -188.337 -34.3301 GPRESSURE: 1727000 168.059 26.1833 -47.3451 31.6014 -90.8167 -148.918 -181.781 -299.992 -48.4923 PRESSAVG: 1727000 85.0835 61.3041 -34.1985 61.304 -8.8243 -64.0173 -34.1986 -64.0174 -86.9672 GPRESSAVG: 1727000 86.1526 60.9951 -31.357 60.623 -8.44854 -65.3352 -37.3942 -63.1196 -87.9577 TIMING: 1727000 CPU: 5207.71, 0.00302382/step Wall: 5207.71, 0.00302382/step, 2.74916 hours remaining, 207.707031 MB of memory in use. ENERGY: 1727000 746.5454 2117.0836 1944.6392 114.3317 -206208.0571 17808.8876 0.0000 0.0000 34008.4797 -149468.0899 297.0045 -183476.5695 -149370.1996 297.9020 -21.0041 9.5835 556892.8540 -3.5693 -3.4179 PRESSURE: 1727200 -278.174 11.227 57.9349 11.2273 -612.996 137.045 57.935 137.043 -288.399 GPRESSURE: 1727200 -275.761 68.8742 131.395 -35.1432 -515.313 148.169 56.2531 115.46 -293.237 PRESSAVG: 1727200 28.9755 -35.4698 -16.5838 -35.4698 -75.5836 21.0617 -16.5838 21.0618 40.1829 GPRESSAVG: 1727200 29.3442 -34.8973 -16.2125 -34.896 -76.1772 21.9881 -15.2172 19.5017 40.3592 TIMING: 1727200 CPU: 5208.31, 0.00301236/step Wall: 5208.31, 0.00301236/step, 2.73857 hours remaining, 207.707031 MB of memory in use. ENERGY: 1727200 760.9889 2065.0635 1930.7231 118.5803 -205792.8260 17143.9256 0.0000 0.0000 34239.5040 -149534.0407 299.0221 -183773.5447 -149438.2323 298.6407 -393.1897 -361.4371 557846.5552 -2.1417 -2.1579 PRESSURE: 1727400 49.5006 9.06129 -79.2386 9.0626 -135.347 6.14869 -79.2382 6.14841 134.162 GPRESSURE: 1727400 78.5333 12.1164 -60.8091 1.47018 -108.409 -19.3291 -100.2 -44.8 190.766 PRESSAVG: 1727400 9.04062 -74.0301 -1.47567 -74.0301 -74.3503 15.6569 -1.47569 15.6568 52.6767 GPRESSAVG: 1727400 8.02005 -75.3856 -3.7978 -74.5438 -74.5664 16.6744 -0.706251 17.0897 53.621 TIMING: 1727400 CPU: 5208.92, 0.00301548/step Wall: 5208.92, 0.00301548/step, 2.74124 hours remaining, 207.707031 MB of memory in use. ENERGY: 1727400 760.1312 2043.2285 1928.3712 120.6859 -206498.8541 17875.9901 0.0000 0.0000 34169.1799 -149601.2673 298.4079 -183770.4472 -149496.5835 298.3532 16.1055 53.6300 556428.7694 -4.2110 -4.3085 PRESSURE: 1727600 -147.781 3.13843 -96.4541 3.13795 -117.38 217.099 -96.4538 217.098 82.2279 GPRESSURE: 1727600 -97.1399 -9.86792 -123.805 -20.1393 -99.1469 216.108 -77.0024 178.794 121.092 PRESSAVG: 1727600 -39.5326 -12.6662 5.88716 -12.6662 19.6619 3.83761 5.88722 3.83751 6.42665 GPRESSAVG: 1727600 -39.3399 -11.2642 4.97901 -14.195 19.3106 3.57835 5.97579 1.6724 6.46936 TIMING: 1727600 CPU: 5209.52, 0.00301868/step Wall: 5209.52, 0.00301868/step, 2.74398 hours remaining, 207.707031 MB of memory in use. ENERGY: 1727600 783.1283 2123.2404 1937.5587 118.6396 -206620.1638 17865.1403 0.0000 0.0000 34117.2161 -149675.2405 297.9541 -183792.4566 -149584.5643 297.7988 -60.9777 -25.0649 557858.8179 -4.4814 -4.5200 PRESSURE: 1727800 -302.006 51.9672 221.134 51.9678 -47.8562 14.9625 221.133 14.9624 -66.6042 GPRESSURE: 1727800 -305.529 88.3853 273.498 122.69 -1.50206 35.1683 104.705 0.12563 -9.47077 PRESSAVG: 1727800 -42.418 7.77702 16.714 7.77699 59.5256 10.3824 16.7139 10.3824 17.2083 GPRESSAVG: 1727800 -42.4358 9.75371 18.2782 8.09178 59.5293 8.94205 14.2808 12.7101 16.8526 TIMING: 1727800 CPU: 5210.12, 0.00301006/step Wall: 5210.12, 0.00301006/step, 2.73598 hours remaining, 207.707031 MB of memory in use. ENERGY: 1727800 708.0240 2101.0580 1961.3384 115.8850 -206450.5066 17720.7525 0.0000 0.0000 34078.6230 -149764.8257 297.6171 -183843.4488 -149666.8706 298.1383 -138.8220 -105.5007 557897.6946 11.4386 11.3154 PRESSURE: 1728000 -203.352 -24.8361 -202.55 -24.8357 -108.378 -147.674 -202.55 -147.677 -110.86 GPRESSURE: 1728000 -147.169 34.2152 -111.706 -26.5478 -74.4254 -78.5035 -244.411 -101.749 -92.1264 PRESSAVG: 1728000 0.123479 -0.994889 -2.74583 -0.994865 16.7673 -20.8235 -2.74583 -20.8235 8.67915 GPRESSAVG: 1728000 -0.139535 -3.82941 -2.84787 -0.245434 17.0746 -19.4392 -0.55823 -22.7095 8.6265 TIMING: 1728000 CPU: 5210.73, 0.00302079/step Wall: 5210.73, 0.00302079/step, 2.74556 hours remaining, 207.707031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1728000 743.8951 2083.2517 1936.3237 98.5697 -206598.1761 17824.6080 0.0000 0.0000 34046.4389 -149865.0891 297.3360 -183911.5280 -149768.7545 297.7965 -140.8633 -104.5735 557706.7439 8.5233 8.5205 PRESSURE: 1728200 188.421 35.554 -71.6502 35.555 161.052 -137.011 -71.6494 -137.011 -124.598 GPRESSURE: 1728200 233.728 46.3486 -57.7422 23.3055 193.212 -146.519 -117.973 -193.597 -90.9089 PRESSAVG: 1728200 -72.1173 -4.6079 -36.657 -4.60779 30.1965 -66.8915 -36.6569 -66.8916 28.8713 GPRESSAVG: 1728200 -71.9722 -5.08484 -37.2324 -4.8151 30.6541 -65.5892 -39.2422 -67.0395 28.6956 TIMING: 1728200 CPU: 5211.33, 0.00303479/step Wall: 5211.33, 0.00303479/step, 2.75812 hours remaining, 207.707031 MB of memory in use. ENERGY: 1728200 719.0805 2079.9041 1925.8798 116.8428 -206648.4428 17924.1570 0.0000 0.0000 33934.4654 -149948.1132 296.3581 -183882.5786 -149849.8869 297.1934 74.9583 112.0101 556262.2204 -4.3498 -4.2075 LDB: ============= START OF LOAD BALANCING ============== 5214.85 LDB: ============== END OF LOAD BALANCING =============== 5214.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5214.86 LDB: ============= START OF LOAD BALANCING ============== 5215.16 LDB: Largest compute 4800 load 0.032610 is 27.6% of average load 0.117959 LDB: Average compute 0.001743 is 1.5% of average load 0.117959 LDB: TIME 5215.16 LOAD: AVG 0.117959 MAX 0.213427 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.367 MB LDB: TIME 5215.16 LOAD: AVG 0.117959 MAX 0.213427 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.367 MB LDB: TIME 5215.16 LOAD: AVG 0.117959 MAX 0.213427 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.367 MB LDB: ============== END OF LOAD BALANCING =============== 5215.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5215.17 PRESSURE: 1728400 -164.401 -50.8483 -111.517 -50.8479 110.553 -48.8706 -111.516 -48.87 150.959 GPRESSURE: 1728400 -130.331 18.0698 35.6052 -68.0055 129.752 -137.636 -162.245 -7.33805 196.749 PRESSAVG: 1728400 -70.0556 -57.4563 32.4265 -57.4563 46.2267 -65.3761 32.4264 -65.376 37.7689 GPRESSAVG: 1728400 -70.1802 -55.994 32.9116 -58.5086 45.3975 -67.3308 33.3974 -65.6115 38.5823 TIMING: 1728400 CPU: 5211.95, 0.00308871/step Wall: 5211.95, 0.00308871/step, 2.80695 hours remaining, 208.066406 MB of memory in use. ENERGY: 1728400 741.6441 2042.5843 1930.7142 109.1227 -206708.8895 17979.9863 0.0000 0.0000 34137.9187 -149766.9192 298.1349 -183904.8379 -149674.1533 298.0931 32.3704 65.3901 557628.6559 4.6467 4.5999 PRESSURE: 1728600 -136.004 182.631 -26.2848 182.63 -240.346 12.5792 -26.2857 12.5797 94.6674 GPRESSURE: 1728600 -123.538 168.038 51.5732 176.24 -207.772 -17.9493 -111.411 17.2211 148.124 PRESSAVG: 1728600 12.4941 32.661 -33.9137 32.661 -13.767 -34.9068 -33.9138 -34.9068 4.9528 GPRESSAVG: 1728600 12.9538 33.1851 -34.0827 33.7948 -12.7982 -34.6233 -31.7686 -33.5901 4.22331 TIMING: 1728600 CPU: 5212.56, 0.00306787/step Wall: 5212.56, 0.00306787/step, 2.78784 hours remaining, 208.527344 MB of memory in use. ENERGY: 1728600 764.7472 2107.3396 1894.2990 110.8901 -206635.9570 17848.7130 0.0000 0.0000 34130.0769 -149779.8912 298.0664 -183909.9681 -149686.6862 297.7594 -93.8943 -61.0618 557427.9405 1.2266 1.4597 PRESSURE: 1728800 -30.9897 -151.688 -82.8203 -151.689 -72.1209 209.688 -82.8193 209.69 228.155 GPRESSURE: 1728800 -59.3131 -82.6148 -59.8724 -171.499 -43.4472 239.23 -127.7 186.021 319.756 PRESSAVG: 1728800 14.6723 -10.8613 -42.1513 -10.8613 -18.1738 3.56673 -42.1513 3.56691 -6.92691 GPRESSAVG: 1728800 14.4824 -11.7274 -42.3017 -12.2477 -19.3828 4.69316 -43.0476 2.28319 -5.8004 TIMING: 1728800 CPU: 5213.18, 0.00308149/step Wall: 5213.18, 0.00308149/step, 2.80005 hours remaining, 208.527344 MB of memory in use. ENERGY: 1728800 708.2517 2110.0659 1931.7739 111.8668 -206580.2008 17853.7377 0.0000 0.0000 34340.3567 -149524.1482 299.9029 -183864.5049 -149429.1594 297.9341 41.6813 72.3318 556981.4873 -3.4761 -3.5670 PRESSURE: 1729000 45.1596 -136.339 -11.8006 -136.338 -309.18 -49.9855 -11.8004 -49.9861 97.7165 GPRESSURE: 1729000 114.91 -118.169 -23.0305 -103.2 -261.686 -104.048 42.519 -67.6822 82.4 PRESSAVG: 1729000 30.7604 -1.60396 -19.5843 -1.60405 -39.6917 28.4836 -19.5843 28.4837 38.6979 GPRESSAVG: 1729000 31.0591 -3.51459 -20.5072 -0.0589145 -38.5214 29.5761 -20.285 30.0908 37.0588 TIMING: 1729000 CPU: 5213.79, 0.00305963/step Wall: 5213.79, 0.00305963/step, 2.78001 hours remaining, 208.527344 MB of memory in use. ENERGY: 1729000 784.3262 2068.5335 1932.4401 110.2249 -206227.8395 17818.3810 0.0000 0.0000 34002.1177 -149511.8161 296.9490 -183513.9337 -149414.7883 298.5607 -55.4346 -21.4586 556890.5872 9.9222 9.8655 PRESSURE: 1729200 131.945 -16.7441 14.668 -16.7436 361.482 24.6549 14.6677 24.6544 -50.4466 GPRESSURE: 1729200 175.606 -110.521 21.5388 43.2527 371.187 21.6919 5.95856 61.5114 -17.0923 PRESSAVG: 1729200 -21.5583 14.9103 34.8291 14.9103 11.1457 12.9865 34.8291 12.9862 -13.559 GPRESSAVG: 1729200 -21.666 15.6407 36.9858 14.2522 10.2287 12.0201 33.1593 13.2109 -12.2402 TIMING: 1729200 CPU: 5214.41, 0.00308881/step Wall: 5214.41, 0.00308881/step, 2.80636 hours remaining, 208.527344 MB of memory in use. ENERGY: 1729200 750.6817 2009.8527 1939.8716 132.8373 -206663.6717 18058.7727 0.0000 0.0000 34370.6836 -149400.9720 300.1677 -183771.6556 -149292.7600 298.2901 147.6600 176.5669 556547.3296 -7.9905 -7.8925 PRESSURE: 1729400 -13.2938 -39.4488 92.5345 -39.4489 6.95772 21.8532 92.5349 21.8529 -312.192 GPRESSURE: 1729400 39.0701 -94.4668 53.4429 -52.7379 70.6426 0.356895 121.029 72.819 -325.092 PRESSAVG: 1729400 4.93087 -41.274 16.2396 -41.2741 14.6019 6.01013 16.2395 6.01014 -26.6356 GPRESSAVG: 1729400 5.36348 -39.9888 17.6685 -42.3282 15.1666 6.00052 17.5353 5.4507 -27.194 TIMING: 1729400 CPU: 5215.02, 0.0030332/step Wall: 5215.02, 0.0030332/step, 2.75566 hours remaining, 208.527344 MB of memory in use. ENERGY: 1729400 706.5870 2112.8314 1915.5448 113.7911 -206231.7137 17690.1397 0.0000 0.0000 34256.3217 -149436.4980 299.1690 -183692.8196 -149330.6525 299.1537 -106.1762 -71.7930 556760.1404 -2.3676 -2.2213 PRESSURE: 1729600 90.6773 -34.1815 1.43027 -34.1811 21.358 -32.6954 1.42945 -32.6965 164.797 GPRESSURE: 1729600 148.4 -73.281 -14.4962 -59.0073 21.5314 -54.1701 17.445 -65.723 186.98 PRESSAVG: 1729600 29.7495 -7.89299 28.0912 -7.89307 -10.4083 27.5243 28.0912 27.5243 -26.7709 GPRESSAVG: 1729600 30.5398 -9.75821 25.9859 -8.12027 -10.7349 26.5465 27.0596 27.84 -26.7009 TIMING: 1729600 CPU: 5215.62, 0.00302365/step Wall: 5215.62, 0.00302365/step, 2.74681 hours remaining, 208.527344 MB of memory in use. ENERGY: 1729600 756.6892 2102.4000 1927.7642 109.0033 -206096.6343 17762.9371 0.0000 0.0000 34289.3283 -149148.5122 299.4572 -183437.8406 -149056.8715 299.2213 92.2774 118.9705 556208.4070 -2.4766 -2.2987 PRESSURE: 1729800 -311.641 46.9283 -74.2301 46.9282 106.145 -35.7224 -74.2296 -35.7218 89.0954 GPRESSURE: 1729800 -307.203 85.027 -10.313 36.8634 154.346 8.95868 -109.59 -64.7089 134.942 PRESSAVG: 1729800 -27.3182 57.5304 -19.2764 57.5305 10.5645 4.10862 -19.2764 4.10862 2.80465 GPRESSAVG: 1729800 -26.0959 59.0981 -18.2092 58.9689 9.02669 3.71067 -17.7654 4.07659 3.15139 TIMING: 1729800 CPU: 5216.23, 0.00302625/step Wall: 5216.23, 0.00302625/step, 2.74901 hours remaining, 208.527344 MB of memory in use. ENERGY: 1729800 739.5732 2117.4602 1895.7948 119.1479 -206233.6883 17722.7852 0.0000 0.0000 34393.2931 -149245.6338 300.3652 -183638.9270 -149148.3330 299.5144 -38.8003 -5.9715 557117.7550 -4.6497 -4.6393 PRESSURE: 1730000 57.6795 -250.716 100.807 -250.715 66.2793 33.6946 100.806 33.6953 -220.721 GPRESSURE: 1730000 76.2547 -292.598 145.476 -243.467 124.328 113.372 62.1439 61.2255 -204.945 PRESSAVG: 1730000 46.5477 0.500184 -16.8297 0.500092 -29.6095 -27.0119 -16.8298 -27.0119 -33.1236 GPRESSAVG: 1730000 44.9702 0.992822 -18.228 -1.61795 -28.0582 -25.5726 -16.5625 -26.3355 -33.4611 TIMING: 1730000 CPU: 5216.84, 0.00303841/step Wall: 5216.84, 0.00303841/step, 2.75989 hours remaining, 208.527344 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: 1730000 768.3555 2093.7398 1918.7872 124.7955 -205788.6081 17568.9612 0.0000 0.0000 34108.2942 -149205.6746 297.8762 -183313.9688 -149111.2901 299.3017 -32.2539 -1.4539 556642.3604 -5.3951 -5.5164 PRESSURE: 1730200 28.719 7.39758 95.4534 7.39842 -55.3146 137.918 95.4526 137.916 -106.786 GPRESSURE: 1730200 40.5625 31.1844 165.253 -75.7759 11.0841 111.003 37.916 163.587 -92.577 PRESSAVG: 1730200 25.5269 48.9767 42.9065 48.9767 14.0715 8.50423 42.9066 8.50425 -52.1293 GPRESSAVG: 1730200 25.3997 48.8646 42.6664 49.7877 12.8599 7.58841 40.4631 6.9382 -50.5377 TIMING: 1730200 CPU: 5217.44, 0.00303724/step Wall: 5217.44, 0.00303724/step, 2.75866 hours remaining, 208.527344 MB of memory in use. ENERGY: 1730200 738.2797 2159.4325 1920.6817 131.0521 -205923.8410 17605.9377 0.0000 0.0000 34200.6707 -149167.7867 298.6830 -183368.4573 -149074.0800 299.3393 -44.4604 -13.6435 557681.2535 -4.1770 -4.0927 PRESSURE: 1730400 -50.3816 24.206 21.5054 24.2072 239.664 6.96909 21.5056 6.967 -107.847 GPRESSURE: 1730400 -15.0051 -47.5329 -17.3927 82.6347 278 53.0902 91.7485 66.5083 -79.3104 PRESSAVG: 1730400 0.654308 24.5844 27.8986 24.5844 41.1027 -5.76921 27.8986 -5.76935 -44.3677 GPRESSAVG: 1730400 1.06162 23.6141 28.4723 25.96 42.4184 -5.10345 29.9152 -5.26793 -45.8014 TIMING: 1730400 CPU: 5218.05, 0.00302731/step Wall: 5218.05, 0.00302731/step, 2.74947 hours remaining, 208.527344 MB of memory in use. ENERGY: 1730400 750.7528 2146.2654 1927.6839 117.4123 -206083.6736 17880.1602 0.0000 0.0000 34153.2980 -149108.1011 298.2692 -183261.3991 -149013.0188 299.0336 27.1450 61.2282 558098.3440 -0.8702 -0.7738 PRESSURE: 1730600 -265.368 -6.11482 -22.3324 -6.11383 -39.9323 -182.936 -22.3347 -182.937 11.9555 GPRESSURE: 1730600 -172.043 -25.706 29.5746 -57.352 -17.6661 -248.307 -45.4474 -112.36 7.61063 PRESSAVG: 1730600 -12.528 39.7116 17.5713 39.7116 -4.00254 -18.4643 17.5714 -18.4644 -25.8327 GPRESSAVG: 1730600 -13.1032 42.2609 18.7335 36.4359 -3.16903 -18.0307 16.4643 -16.0717 -26.0404 TIMING: 1730600 CPU: 5218.65, 0.00301212/step Wall: 5218.65, 0.00301212/step, 2.73551 hours remaining, 208.789062 MB of memory in use. ENERGY: 1730600 743.4584 2116.2216 1939.8120 123.1654 -206344.6536 17744.0885 0.0000 0.0000 34539.6241 -149138.2836 301.6431 -183677.9077 -149029.6182 300.0992 -97.7815 -60.6996 557215.1847 -14.1211 -14.1042 PRESSURE: 1730800 114.241 22.0568 -38.8445 22.0567 66.9575 -153.863 -38.8442 -153.863 -32.8145 GPRESSURE: 1730800 152.396 -0.866157 -54.0057 69.161 114.142 -134.03 -42.0625 -142.549 -15.0554 PRESSAVG: 1730800 -40.2213 -9.03467 0.738657 -9.03464 76.1056 -32.4728 0.738687 -32.4726 -40.2556 GPRESSAVG: 1730800 -39.5883 -11.1398 -0.507775 -5.63941 74.4259 -33.7269 2.07181 -31.4539 -38.9289 TIMING: 1730800 CPU: 5219.25, 0.00299249/step Wall: 5219.25, 0.00299249/step, 2.71752 hours remaining, 208.789062 MB of memory in use. ENERGY: 1730800 757.6021 2161.4897 1940.2118 110.7235 -206612.9844 17974.2397 0.0000 0.0000 34492.3471 -149176.3705 301.2302 -183668.7176 -149077.7162 299.5226 49.4613 83.8275 556985.5141 -1.4571 -1.3637 PRESSURE: 1731000 -125.131 179.934 30.7291 179.934 -46.2407 31.4055 30.7304 31.4066 -246.831 GPRESSURE: 1731000 -83.8227 225.486 65.721 109.895 -0.0401201 66.1965 26.413 0.0613943 -237.965 PRESSAVG: 1731000 67.556 -18.116 11.582 -18.1159 -90.1743 16.274 11.582 16.274 24.8911 GPRESSAVG: 1731000 67.4263 -15.9727 11.7862 -20.9101 -89.1673 16.8636 9.71103 14.3622 23.9441 TIMING: 1731000 CPU: 5219.85, 0.00300835/step Wall: 5219.85, 0.00300835/step, 2.73175 hours remaining, 208.789062 MB of memory in use. ENERGY: 1731000 762.4231 2127.7689 1926.6364 116.2392 -206281.8972 17820.4751 0.0000 0.0000 34279.8518 -149248.5026 299.3745 -183528.3545 -149152.0092 299.6395 -139.4011 -107.2760 559058.9092 0.7576 0.7344 PRESSURE: 1731200 -75.2626 -2.27033 -50.88 -2.26903 -121.489 41.3813 -50.8796 41.3814 -20.0604 GPRESSURE: 1731200 -48.6538 -33.9495 -57.8457 -91.9269 -118.733 92.7314 -56.3878 65.9944 44.2874 PRESSAVG: 1731200 -5.58662 21.1901 -5.40122 21.19 -47.0171 25.1582 -5.40122 25.1582 15.0436 GPRESSAVG: 1731200 -7.23817 18.185 -6.06554 24.1454 -46.4313 24.3919 -4.53373 25.4846 16.2697 TIMING: 1731200 CPU: 5220.45, 0.00299352/step Wall: 5220.45, 0.00299352/step, 2.71811 hours remaining, 208.789062 MB of memory in use. ENERGY: 1731200 787.4528 2112.1253 1922.7480 118.6043 -206093.2457 17827.2415 0.0000 0.0000 34198.2738 -149126.8001 298.6620 -183325.0739 -149025.2661 299.3700 -72.2706 -41.0333 559058.8759 -12.5200 -12.4666 PRESSURE: 1731400 -137.714 3.4151 37.8044 3.41469 -149.513 -2.95156 37.8059 -2.95156 -219.288 GPRESSURE: 1731400 -100.857 -28.9608 8.60661 12.2419 -100.155 47.4282 33.7442 41.6541 -213.741 PRESSAVG: 1731400 -52.6398 -27.7988 14.7729 -27.7988 26.9814 9.38917 14.773 9.38917 13.3776 GPRESSAVG: 1731400 -51.1869 -26.2564 15.5672 -29.099 26.5575 10.023 14.6837 9.48686 12.3082 TIMING: 1731400 CPU: 5221.05, 0.00300786/step Wall: 5221.05, 0.00300786/step, 2.73097 hours remaining, 208.789062 MB of memory in use. ENERGY: 1731400 771.7098 2100.7331 1911.3660 114.1229 -205985.3496 17576.2641 0.0000 0.0000 34384.0528 -149127.1010 300.2845 -183511.1537 -149019.9909 299.8843 -168.8382 -138.2512 558815.4553 -4.0936 -4.1071 PRESSURE: 1731600 13.5685 -70.7766 -63.3795 -70.7775 -240.824 94.2382 -63.38 94.2391 -84.9774 GPRESSURE: 1731600 -19.3725 -131.232 -44.32 -79.8603 -169.14 -16.9323 -58.671 165.574 -14.1626 PRESSAVG: 1731600 3.33436 -23.2336 -44.8101 -23.2336 -26.3132 28.9504 -44.8102 28.9506 22.0621 GPRESSAVG: 1731600 2.7404 -24.6632 -43.2769 -23.4747 -26.0333 29.148 -46.2678 28.4989 21.7599 TIMING: 1731600 CPU: 5221.66, 0.00303229/step Wall: 5221.66, 0.00303229/step, 2.75299 hours remaining, 208.789062 MB of memory in use. ENERGY: 1731600 784.1248 2122.3466 1935.6558 108.7157 -205932.0137 17501.2366 0.0000 0.0000 34422.0363 -149057.8980 300.6162 -183479.9343 -148964.6835 299.5650 -104.0778 -67.5583 556808.2704 -0.3056 -0.5110 PRESSURE: 1731800 -79.0737 42.7303 28.5612 42.7298 -23.3502 22.5227 28.5619 22.5205 -142.927 GPRESSURE: 1731800 -64.2845 54.8982 17.4489 63.6684 6.60137 34.6819 64.4119 56.738 -85.8605 PRESSAVG: 1731800 -88.4486 -15.4117 23.8236 -15.4117 31.1489 34.1865 23.8236 34.1865 99.9493 GPRESSAVG: 1731800 -88.8295 -15.0082 22.9577 -14.1004 31.1152 32.3161 23.0439 35.6249 100.495 TIMING: 1731800 CPU: 5222.26, 0.00302542/step Wall: 5222.26, 0.00302542/step, 2.74658 hours remaining, 208.789062 MB of memory in use. ENERGY: 1731800 717.0891 2099.2056 1928.6791 108.8140 -205743.6738 17578.5613 0.0000 0.0000 34348.8467 -148962.4781 299.9770 -183311.3248 -148866.6026 300.3256 -81.7836 -47.8479 556522.6870 14.2165 14.2601 PRESSURE: 1732000 -272.355 32.3392 60.2425 32.3375 78.3196 -57.2459 60.2432 -57.248 41.5973 GPRESSURE: 1732000 -209.326 95.8775 79.0048 48.4628 120.454 -13.1356 65.9633 -81.6845 39.0091 PRESSAVG: 1732000 59.9834 -14.1791 -0.669666 -14.1792 -53.9174 0.504204 -0.66961 0.504251 14.6933 GPRESSAVG: 1732000 61.0336 -11.472 -1.93847 -16.8973 -54.1184 2.51966 -0.209358 -0.355007 14.4544 TIMING: 1732000 CPU: 5222.87, 0.00303205/step Wall: 5222.87, 0.00303205/step, 2.75243 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: 1732000 727.4178 2074.3763 1940.7854 106.4374 -205893.8240 17798.2051 0.0000 0.0000 34256.9659 -148989.6360 299.1746 -183246.6020 -148892.9559 300.3923 -50.8128 -16.6210 558475.4552 6.9197 7.1232 PRESSURE: 1732200 -344.313 -65.7074 -74.141 -65.7085 -207.121 218.734 -74.1415 218.733 -40.2381 GPRESSURE: 1732200 -352.756 -19.8729 -80.6775 -217.32 -173.915 209.432 -60.7789 205.815 34.5794 PRESSAVG: 1732200 48.2659 9.07286 -12.296 9.07292 26.0311 6.39634 -12.296 6.39637 -50.4608 GPRESSAVG: 1732200 47.4773 5.69877 -9.95956 10.8532 26.5288 4.69158 -12.0417 5.99941 -50.0125 TIMING: 1732200 CPU: 5223.47, 0.0030075/step Wall: 5223.47, 0.0030075/step, 2.72998 hours remaining, 208.789062 MB of memory in use. ENERGY: 1732200 731.1489 2127.2901 1940.0150 130.9952 -205901.6518 17439.9016 0.0000 0.0000 34336.1948 -149196.1062 299.8665 -183532.3010 -149101.6827 299.6807 -197.2241 -164.0308 557429.6600 7.9454 7.9979 LDB: ============= START OF LOAD BALANCING ============== 5226.99 LDB: ============== END OF LOAD BALANCING =============== 5226.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5226.99 LDB: ============= START OF LOAD BALANCING ============== 5227.29 LDB: Largest compute 4800 load 0.032956 is 27.9% of average load 0.117958 LDB: Average compute 0.001745 is 1.5% of average load 0.117958 LDB: TIME 5227.3 LOAD: AVG 0.117958 MAX 0.21197 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.586 MB LDB: TIME 5227.3 LOAD: AVG 0.117958 MAX 0.21197 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.586 MB LDB: TIME 5227.3 LOAD: AVG 0.117958 MAX 0.21197 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.586 MB LDB: ============== END OF LOAD BALANCING =============== 5227.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5227.3 PRESSURE: 1732400 -266.718 -40.9279 -78.8853 -40.927 -378.963 111.715 -78.8859 111.716 64.2744 GPRESSURE: 1732400 -172.265 -117.898 -90.0718 -30.3336 -386.778 122.043 -36.8246 109.451 57.4293 PRESSAVG: 1732400 46.4373 -30.0012 -33.4257 -30.0012 -20.3975 79.4938 -33.4257 79.4936 -42.8561 GPRESSAVG: 1732400 45.7037 -28.5956 -35.1374 -31.4603 -20.0643 80.2429 -33.8737 78.8416 -42.5745 TIMING: 1732400 CPU: 5224.09, 0.00307699/step Wall: 5224.09, 0.00307698/step, 2.79288 hours remaining, 209.878906 MB of memory in use. ENERGY: 1732400 757.1409 2139.6453 1920.1669 117.5435 -205959.9748 17580.4651 0.0000 0.0000 34252.1197 -149192.8934 299.1323 -183445.0131 -149098.6040 299.9000 -193.8020 -167.2043 557879.7174 -5.6054 -5.6450 PRESSURE: 1732600 -85.9246 107.954 -44.4477 107.956 38.0426 128.091 -44.4485 128.087 117.351 GPRESSURE: 1732600 -75.6481 151.383 -16.822 103.298 95.0123 140.17 -90.0058 139.233 127.275 PRESSAVG: 1732600 -17.2085 14.5482 -61.8666 14.5482 8.05887 -28.8002 -61.8667 -28.8002 23.5139 GPRESSAVG: 1732600 -17.092 13.8153 -61.0562 15.7603 8.75472 -31.0981 -60.5211 -27.3845 22.6069 TIMING: 1732600 CPU: 5224.69, 0.00301329/step Wall: 5224.69, 0.00301329/step, 2.73489 hours remaining, 209.890625 MB of memory in use. ENERGY: 1732600 754.9050 2132.1712 1938.8375 116.0655 -206069.0192 17768.6162 0.0000 0.0000 34391.0859 -148967.3380 300.3459 -183358.4239 -148871.3816 299.6638 23.1564 48.8799 557431.6275 4.7881 4.7566 PRESSURE: 1732800 178.634 19.9625 -82.0199 19.9622 220.303 -65.5213 -82.02 -65.5214 -52.7526 GPRESSURE: 1732800 192.915 70.6776 -21.9404 45.0977 246.164 36.6971 -33.5343 -116.498 7.64694 PRESSAVG: 1732800 2.04522 -5.57668 -21.6314 -5.5767 -3.20935 16.8804 -21.6313 16.8804 2.84459 GPRESSAVG: 1732800 1.75509 -5.05573 -22.0591 -6.98797 -4.05774 19.0738 -23.2812 14.721 3.79793 TIMING: 1732800 CPU: 5225.29, 0.00301844/step Wall: 5225.29, 0.00301844/step, 2.7394 hours remaining, 209.890625 MB of memory in use. ENERGY: 1732800 755.2454 2098.1509 1959.6572 105.6850 -206421.4484 17909.1947 0.0000 0.0000 34470.9369 -149122.5783 301.0433 -183593.5152 -149022.9349 299.8212 115.3948 148.9085 554224.6892 0.5602 0.4984 PRESSURE: 1733000 223.856 43.5294 -80.8666 43.5295 122.316 -71.2652 -80.8659 -71.2659 -54.5416 GPRESSURE: 1733000 301.231 74.8855 -142.261 114.479 124.616 7.02988 -25.7416 -18.1356 -37.6062 PRESSAVG: 1733000 13.615 -3.33743 -34.8218 -3.33731 -23.4173 -4.98856 -34.8217 -4.98843 15.3298 GPRESSAVG: 1733000 13.5996 -5.59052 -35.4553 -0.47952 -23.3238 -5.44973 -32.5168 -1.46959 14.6135 TIMING: 1733000 CPU: 5225.89, 0.00301211/step Wall: 5225.89, 0.00301211/step, 2.73349 hours remaining, 209.890625 MB of memory in use. ENERGY: 1733000 757.2835 2018.2029 1937.1046 119.9388 -206283.8710 17911.6303 0.0000 0.0000 34259.4934 -149280.2175 299.1967 -183539.7108 -149176.3298 300.0644 97.2101 129.4135 556940.0882 1.8425 1.6298 PRESSURE: 1733200 -252.021 -82.5164 -18.5922 -82.5159 -14.487 -46.3796 -18.5925 -46.3776 -264.846 GPRESSURE: 1733200 -241.548 -129.994 -93.4426 -61.9835 -16.5732 -100.723 -30.7777 0.597134 -179.077 PRESSAVG: 1733200 50.6579 26.6144 4.42894 26.6145 7.28704 -20.5527 4.42891 -20.5527 -63.7069 GPRESSAVG: 1733200 50.5106 27.3755 4.13791 26.042 8.12865 -21.3218 2.55347 -21.9508 -63.9901 TIMING: 1733200 CPU: 5226.49, 0.00297725/step Wall: 5226.49, 0.00297725/step, 2.70169 hours remaining, 209.890625 MB of memory in use. ENERGY: 1733200 763.3628 2066.6805 1937.3303 109.7737 -206189.1811 17762.2781 0.0000 0.0000 34463.7731 -149085.9827 300.9807 -183549.7558 -149001.3874 299.1508 -177.1182 -145.7326 558429.8406 -1.9206 -1.7836 PRESSURE: 1733400 40.729 114.593 88.3685 114.594 -24.0477 123.467 88.3688 123.467 -184.55 GPRESSURE: 1733400 67.9195 131.59 128.484 93.8458 40.1041 232.159 88.1001 89.4575 -162.881 PRESSAVG: 1733400 45.4797 59.748 1.02808 59.748 -9.94935 24.2193 1.02798 24.2193 -41.262 GPRESSAVG: 1733400 45.9194 59.6676 2.06484 59.5259 -10.1099 24.747 -0.095481 23.0659 -40.952 TIMING: 1733400 CPU: 5227.09, 0.00299479/step Wall: 5227.09, 0.00299479/step, 2.71744 hours remaining, 209.890625 MB of memory in use. ENERGY: 1733400 739.2226 2136.0859 1932.0659 118.8687 -206086.1577 17796.6974 0.0000 0.0000 34395.2307 -148967.9866 300.3821 -183363.2172 -148874.3075 299.3801 -55.9561 -18.2859 557163.6690 -1.9105 -1.7142 PRESSURE: 1733600 -63.7635 231.357 101.315 231.357 -69.8649 43.9892 101.317 43.988 -66.2511 GPRESSURE: 1733600 -28.587 208.957 31.99 183.4 -21.1798 -26.8048 188.394 88.2924 -46.0821 PRESSAVG: 1733600 45.9867 43.0633 0.314648 43.0633 -66.7786 -3.0261 0.314756 -3.0261 13.1683 GPRESSAVG: 1733600 46.3787 42.3645 0.962158 43.6271 -66.6789 -3.14001 1.51028 -3.48171 12.781 TIMING: 1733600 CPU: 5227.69, 0.00300736/step Wall: 5227.69, 0.00300736/step, 2.72868 hours remaining, 209.890625 MB of memory in use. ENERGY: 1733600 767.7564 2068.9003 1912.1720 107.9381 -205925.8799 17773.9417 0.0000 0.0000 34194.2173 -149100.9541 298.6266 -183295.1714 -149008.5999 299.6983 -66.6265 -31.9496 557060.0535 -2.5412 -2.5064 PRESSURE: 1733800 -7.55799 -64.9137 16.9596 -64.9123 207.615 -100.842 16.9592 -100.844 156.405 GPRESSURE: 1733800 47.7711 -31.2205 -46.2623 -64.8555 173.813 -91.5015 18.622 -154.31 237.712 PRESSAVG: 1733800 12.0519 -12.4212 -19.7996 -12.4212 -25.3821 20.4057 -19.7996 20.4057 49.4573 GPRESSAVG: 1733800 12.2134 -12.2949 -20.6363 -12.6349 -26.696 22.1003 -18.5309 20.9081 50.1771 TIMING: 1733800 CPU: 5228.29, 0.00300102/step Wall: 5228.29, 0.00300102/step, 2.72276 hours remaining, 209.890625 MB of memory in use. ENERGY: 1733800 759.5465 2098.5312 1913.2068 118.0131 -206361.4904 17999.1899 0.0000 0.0000 34313.7579 -149159.2449 299.6706 -183473.0028 -149057.6521 300.0158 118.8205 153.0990 555343.2093 12.0424 11.8982 PRESSURE: 1734000 -345.004 -29.9832 48.4656 -29.984 31.7923 40.4882 48.4658 40.4884 152.948 GPRESSURE: 1734000 -316.593 -135.87 -12.7706 127.81 73.2147 63.1762 50.0724 -0.900761 182.633 PRESSAVG: 1734000 27.4798 37.4021 3.68278 37.4022 16.169 -4.25751 3.68282 -4.25751 -22.8599 GPRESSAVG: 1734000 27.119 37.8211 2.92057 37.0436 17.1272 -5.94993 1.50724 -2.46086 -22.9607 TIMING: 1734000 CPU: 5228.89, 0.00300754/step Wall: 5228.89, 0.00300754/step, 2.7285 hours remaining, 209.890625 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: 1734000 725.9768 2043.1377 1934.4622 106.0547 -206052.0079 17688.3578 0.0000 0.0000 34444.8665 -149109.1523 300.8156 -183554.0188 -149009.5767 299.4513 -53.4210 -20.2483 556515.4706 6.9296 7.0952 PRESSURE: 1734200 -319.944 -11.1079 -9.94665 -11.108 25.3254 32.7911 -9.94656 32.7911 152.852 GPRESSURE: 1734200 -257.813 -68.8654 39.067 -0.721422 51.6455 -1.3737 50.0484 93.4324 163.098 PRESSAVG: 1734200 43.0438 -48.8588 -10.1198 -48.8589 -39.5364 23.5154 -10.1198 23.5155 26.1676 GPRESSAVG: 1734200 43.6084 -48.1889 -9.07283 -50.3906 -39.2995 24.8277 -7.23671 21.6822 25.3819 TIMING: 1734200 CPU: 5229.5, 0.00303075/step Wall: 5229.5, 0.00303075/step, 2.7494 hours remaining, 209.890625 MB of memory in use. ENERGY: 1734200 754.0559 2082.3780 1928.2473 101.0466 -205902.4745 17659.3397 0.0000 0.0000 34350.1588 -149027.2483 299.9885 -183377.4071 -148928.6843 299.9009 -47.2555 -14.3564 557701.2307 9.8917 9.8969 PRESSURE: 1734400 -455.709 117.01 94.0703 117.01 -258.095 76.405 94.0706 76.4059 -242.543 GPRESSURE: 1734400 -403.619 72.2065 68.4195 169.622 -260.13 115.926 26.9168 63.9737 -201.607 PRESSAVG: 1734400 50.428 -41.6455 55.8933 -41.6456 -38.3318 10.84 55.8932 10.8401 -13.0388 GPRESSAVG: 1734400 50.1645 -41.9541 53.7915 -39.1109 -38.7549 11.3955 54.5914 11.1686 -12.1615 TIMING: 1734400 CPU: 5230.1, 0.00303287/step Wall: 5230.1, 0.00303287/step, 2.75115 hours remaining, 209.890625 MB of memory in use. ENERGY: 1734400 799.3680 2104.4617 1938.1904 112.8259 -205638.3016 17355.2365 0.0000 0.0000 34368.4649 -148959.7543 300.1484 -183328.2191 -148866.0798 300.3447 -318.7821 -288.4519 559527.5321 -0.3142 -0.2506 PRESSURE: 1734600 -33.8764 100.362 -109.034 100.361 -103.801 -61.4412 -109.035 -61.4409 -83.0562 GPRESSURE: 1734600 -8.35013 129.688 -168.033 -1.0351 -99.344 -119.036 -49.1721 -71.3895 -6.36987 PRESSAVG: 1734600 40.5048 7.01316 74.6016 7.0131 -9.38868 -20.1894 74.6015 -20.1896 22.9592 GPRESSAVG: 1734600 41.4328 7.31103 75.3565 6.42247 -10.6166 -24.5128 74.1521 -19.3091 23.5939 TIMING: 1734600 CPU: 5230.71, 0.00303083/step Wall: 5230.71, 0.00303083/step, 2.74913 hours remaining, 209.890625 MB of memory in use. ENERGY: 1734600 787.9036 2082.0155 1922.2650 114.2665 -206385.5184 17910.9740 0.0000 0.0000 34328.1744 -149239.9195 299.7965 -183568.0939 -149144.7552 300.0555 -73.5779 -38.0213 557953.7136 18.0251 18.1367 PRESSURE: 1734800 2.61574 31.4492 19.6122 31.4486 -234.973 45.878 19.6112 45.8774 75.7602 GPRESSURE: 1734800 77.2563 62.3216 91.6501 -62.6715 -251.439 54.166 -1.25371 50.8305 91.0075 PRESSAVG: 1734800 6.52364 -19.2309 19.4396 -19.2308 -53.4017 15.5664 19.4395 15.5662 46.2738 GPRESSAVG: 1734800 5.01519 -20.3156 21.6047 -19.3292 -52.6605 15.3997 19.4773 16.1785 46.539 TIMING: 1734800 CPU: 5231.31, 0.00301432/step Wall: 5231.31, 0.00301432/step, 2.73399 hours remaining, 209.890625 MB of memory in use. ENERGY: 1734800 731.3258 2112.0026 1927.2340 113.1759 -206041.8789 17574.9394 0.0000 0.0000 34410.3429 -149172.8583 300.5141 -183583.2012 -149072.5578 298.8827 -52.1989 -27.7251 558246.4967 -0.2014 -0.3688 PRESSURE: 1735000 -62.8635 -59.4482 46.8891 -59.4488 69.8991 184.093 46.8899 184.093 224.209 GPRESSURE: 1735000 -42.6055 -38.6349 94.3885 -79.5292 97.1722 212.719 49.6283 110.727 271.712 PRESSAVG: 1735000 0.733303 -12.7087 38.8323 -12.7087 -55.0234 -3.02049 38.8324 -3.02048 43.7864 GPRESSAVG: 1735000 1.67045 -11.8755 38.3509 -12.1823 -55.2463 -2.54772 39.5685 -1.98041 42.7996 TIMING: 1735000 CPU: 5231.91, 0.00299446/step Wall: 5231.91, 0.00299446/step, 2.71581 hours remaining, 209.890625 MB of memory in use. ENERGY: 1735000 767.9785 2053.8869 1925.9052 120.1860 -206579.8085 18022.5046 0.0000 0.0000 34357.3839 -149331.9634 300.0516 -183689.3473 -149239.5899 299.4844 77.0814 108.7596 556359.7414 -3.5012 -3.5921 PRESSURE: 1735200 -70.1952 -13.1805 100.854 -13.1802 22.9321 -62.0935 100.855 -62.0932 12.4457 GPRESSURE: 1735200 -77.4619 -1.93162 105.404 -2.64168 22.8551 -111.816 55.6838 -88.7121 112.696 PRESSAVG: 1735200 -74.7906 12.6609 60.7915 12.6609 -2.06578 -14.3353 60.7914 -14.3352 101.681 GPRESSAVG: 1735200 -76.0548 11.0508 59.9375 12.4819 -2.03897 -12.7666 61.2384 -16.6733 102.626 TIMING: 1735200 CPU: 5232.52, 0.00302417/step Wall: 5232.52, 0.00302417/step, 2.74259 hours remaining, 209.890625 MB of memory in use. ENERGY: 1735200 746.2151 2160.8100 1941.6585 116.2361 -206356.2109 17871.6482 0.0000 0.0000 34265.8517 -149253.7913 299.2522 -183519.6431 -149156.8955 299.3374 -11.6058 19.3630 557452.1265 8.2750 8.1774 PRESSURE: 1735400 23.6435 22.5405 88.4893 22.5409 -247.236 24.3347 88.4881 24.3357 -22.6403 GPRESSURE: 1735400 -24.6895 167.901 98.4958 -5.1974 -154.899 16.2505 40.1286 47.4766 35.9138 PRESSAVG: 1735400 19.0712 -29.4496 11.958 -29.4496 -80.8014 -14.4295 11.958 -14.4296 47.783 GPRESSAVG: 1735400 19.5511 -29.665 13.0812 -27.956 -80.7522 -15.4422 11.6212 -14.3515 47.6722 TIMING: 1735400 CPU: 5233.12, 0.00300288/step Wall: 5233.12, 0.00300288/step, 2.72311 hours remaining, 209.890625 MB of memory in use. ENERGY: 1735400 761.7871 2068.9296 1911.0914 105.5826 -205881.5113 17658.2169 0.0000 0.0000 34260.4519 -149115.4519 299.2050 -183375.9038 -149019.2756 298.8341 -82.0777 -47.8915 557645.8213 -4.6490 -4.5096 PRESSURE: 1735600 -167.226 -0.376704 83.3045 -0.377711 -158.683 11.0943 83.304 11.0939 -296.276 GPRESSURE: 1735600 -162.304 -11.1223 4.52243 32.3309 -136.763 -45.444 175.576 63.1278 -224.977 PRESSAVG: 1735600 -43.2591 -62.4792 18.7457 -62.4792 1.0752 -6.2548 18.7458 -6.25483 68.982 GPRESSAVG: 1735600 -42.2007 -61.8462 16.5801 -64.0505 0.554554 -6.42584 19.6494 -4.76047 68.2221 TIMING: 1735600 CPU: 5233.72, 0.003013/step Wall: 5233.72, 0.003013/step, 2.73212 hours remaining, 209.890625 MB of memory in use. ENERGY: 1735600 786.2674 2080.4534 1931.5520 109.6017 -206161.2617 17745.6037 0.0000 0.0000 34288.6106 -149219.1729 299.4510 -183507.7836 -149122.7199 299.1288 -207.3949 -174.6812 559240.0648 8.9327 8.8587 PRESSURE: 1735800 -271.592 45.8242 70.4002 45.8244 -204.28 -68.1696 70.3982 -68.1687 16.6537 GPRESSURE: 1735800 -265.721 35.1823 58.5899 20.0646 -158.325 -31.7246 4.39284 -87.7277 62.6959 PRESSAVG: 1735800 11.7206 40.6465 56.4669 40.6466 -101.612 1.2546 56.4668 1.25459 41.1872 GPRESSAVG: 1735800 11.1693 41.2368 58.5542 40.2438 -100.532 2.08426 54.0638 -0.169993 40.5642 TIMING: 1735800 CPU: 5234.33, 0.00302305/step Wall: 5234.33, 0.00302305/step, 2.74107 hours remaining, 209.890625 MB of memory in use. ENERGY: 1735800 740.2757 2061.8407 1916.3207 106.4503 -205634.2823 17499.5710 0.0000 0.0000 34125.0890 -149184.7347 298.0229 -183309.8237 -149091.2078 299.7778 -153.0727 -120.4501 558216.3577 -16.2346 -16.2662 PRESSURE: 1736000 80.442 -114.816 58.4611 -114.815 -151.952 8.13146 58.4615 8.13017 85.3266 GPRESSURE: 1736000 125.67 -154.941 52.0539 -89.5181 -100.221 44.7033 19.0415 -45.1262 90.1037 PRESSAVG: 1736000 -38.2065 53.0717 33.9686 53.0716 -23.049 34.5607 33.9687 34.5606 59.0179 GPRESSAVG: 1736000 -38.3098 53.3846 33.3148 53.3243 -23.7532 35.444 34.3514 31.9349 60.2313 TIMING: 1736000 CPU: 5234.93, 0.0030305/step Wall: 5234.93, 0.0030305/step, 2.74765 hours remaining, 209.890625 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: 1736000 740.2307 2102.2450 1903.1983 114.2901 -205984.1443 17803.8665 0.0000 0.0000 34240.7968 -149079.5168 299.0334 -183320.3136 -148981.9762 299.5364 4.6056 38.5176 557967.5306 -0.7459 -0.6106 PRESSURE: 1736200 -50.1782 66.957 -46.9577 66.9576 191.182 -227.997 -46.9585 -227.996 131.8 GPRESSURE: 1736200 -16.6633 22.8714 -72.2336 79.5737 257.579 -215.521 -9.06967 -255.464 130.363 PRESSAVG: 1736200 -2.55678 5.86079 8.96427 5.8608 -13.6356 -5.75807 8.96434 -5.758 23.3069 GPRESSAVG: 1736200 -1.81886 6.09708 6.74453 3.9995 -13.5171 -6.81521 10.7983 -2.87538 22.5174 TIMING: 1736200 CPU: 5235.53, 0.00301246/step Wall: 5235.53, 0.00301246/step, 2.73113 hours remaining, 209.890625 MB of memory in use. ENERGY: 1736200 736.4428 2125.7068 1923.2050 103.0737 -206248.0914 17873.4643 0.0000 0.0000 34421.9278 -149064.2711 300.6153 -183486.1989 -148962.5141 299.6896 90.9345 123.7597 556875.3945 2.3715 2.3938 LDB: ============= START OF LOAD BALANCING ============== 5239.05 LDB: ============== END OF LOAD BALANCING =============== 5239.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5239.05 LDB: ============= START OF LOAD BALANCING ============== 5239.35 LDB: Largest compute 4800 load 0.032896 is 27.9% of average load 0.118095 LDB: Average compute 0.001731 is 1.5% of average load 0.118095 LDB: TIME 5239.35 LOAD: AVG 0.118095 MAX 0.214454 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.059 MB LDB: TIME 5239.35 LOAD: AVG 0.118095 MAX 0.214454 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.059 MB LDB: TIME 5239.35 LOAD: AVG 0.118095 MAX 0.214454 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.059 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5239.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5239.36 PRESSURE: 1736400 -227.679 108.372 71.2846 108.372 -190.49 -132.013 71.2843 -132.012 145.972 GPRESSURE: 1736400 -174.936 74.1447 35.9427 151.425 -200.56 -162.211 89.3097 -80.3095 199.549 PRESSAVG: 1736400 -35.7892 -8.58346 38.3654 -8.58347 64.9967 -43.7212 38.3653 -43.7212 -41.5193 GPRESSAVG: 1736400 -38.1771 -8.43825 41.5319 -6.96867 65.8737 -44.7316 37.0426 -44.2234 -40.3496 TIMING: 1736400 CPU: 5236.14, 0.00304391/step Wall: 5236.14, 0.00304391/step, 2.75948 hours remaining, 208.785156 MB of memory in use. ENERGY: 1736400 735.0512 2115.7759 1935.1055 109.4638 -206071.5563 17748.9072 0.0000 0.0000 34343.5261 -149083.7266 299.9306 -183427.2527 -148989.3394 300.1900 -90.7321 -58.6488 558034.2521 -4.1039 -4.2177 PRESSURE: 1736600 -136.848 -14.2881 -152.677 -14.2893 -143.838 -79.6645 -152.677 -79.665 73.1208 GPRESSURE: 1736600 -69.7386 -55.6078 -189.42 -67.1904 -127.063 -120.021 -186.319 -26.2035 93.8797 PRESSAVG: 1736600 -5.8413 -8.65672 -11.0506 -8.65673 -39.7847 21.6128 -11.0506 21.6129 -3.85625 GPRESSAVG: 1736600 -4.11434 -7.38068 -11.9615 -7.05391 -40.8354 22.1821 -10.6897 21.6955 -4.82883 TIMING: 1736600 CPU: 5236.74, 0.0030095/step Wall: 5236.74, 0.0030095/step, 2.72811 hours remaining, 208.855469 MB of memory in use. ENERGY: 1736600 756.9438 2115.7719 1911.3673 111.4290 -206062.9303 17767.2477 0.0000 0.0000 34250.8658 -149149.3049 299.1213 -183400.1707 -149050.2164 299.4901 -69.1882 -34.3073 557331.3472 -16.4941 -16.5929 PRESSURE: 1736800 105.21 -21.4739 -125.85 -21.4735 -119.169 61.0222 -125.85 61.0231 127.158 GPRESSURE: 1736800 190.091 29.0707 -164.226 -53.978 -80.7519 31.5602 -120.507 45.892 100.181 PRESSAVG: 1736800 1.80378 -38.0522 -51.8515 -38.0521 -29.4521 -28.9687 -51.8515 -28.9686 29.2046 GPRESSAVG: 1736800 2.65219 -40.0449 -53.2566 -38.5655 -29.6144 -28.4766 -50.7107 -29.2844 28.8249 TIMING: 1736800 CPU: 5237.35, 0.00301083/step Wall: 5237.35, 0.00301083/step, 2.72915 hours remaining, 208.855469 MB of memory in use. ENERGY: 1736800 716.6785 2072.9890 1950.0033 115.9935 -206038.1921 17735.8496 0.0000 0.0000 34249.1358 -149197.5423 299.1062 -183446.6782 -149104.2546 299.3478 37.7330 69.8400 557136.9064 0.5187 0.6209 PRESSURE: 1737000 -228.199 -178.267 69.1169 -178.268 -204.922 84.6421 69.1176 84.6412 -173.67 GPRESSURE: 1737000 -207.767 -154.588 95.4111 -159.256 -162.4 102.888 52.814 80.3401 -131.055 PRESSAVG: 1737000 49.9686 -59.2684 22.2436 -59.2684 66.0349 32.3366 22.2437 32.3366 -56.9567 GPRESSAVG: 1737000 48.5124 -58.4414 23.3406 -59.4139 66.8589 34.0146 20.7639 30.6135 -56.1677 TIMING: 1737000 CPU: 5237.96, 0.0030466/step Wall: 5237.96, 0.0030466/step, 2.76141 hours remaining, 208.855469 MB of memory in use. ENERGY: 1737000 790.8659 2113.4016 1928.0469 100.1429 -205850.6223 17589.0654 0.0000 0.0000 34147.5338 -149181.5657 298.2189 -183329.0995 -149084.4748 299.7968 -202.2637 -167.0741 557097.1215 19.6822 19.7345 PRESSURE: 1737200 -43.6221 -91.3852 42.8279 -91.3853 9.43633 -58.5669 42.8279 -58.5679 21.5698 GPRESSURE: 1737200 1.29675 -111.885 27.821 -112.177 52.74 -98.0374 76.2333 -29.3678 33.91 PRESSAVG: 1737200 26.4243 -16.6818 -23.5065 -16.6818 -7.98901 18.4425 -23.5065 18.4424 16.3613 GPRESSAVG: 1737200 26.8051 -16.9115 -19.9976 -18.4789 -7.54395 15.8881 -25.0387 19.1815 15.4737 TIMING: 1737200 CPU: 5238.57, 0.00304645/step Wall: 5238.57, 0.00304645/step, 2.7611 hours remaining, 208.855469 MB of memory in use. ENERGY: 1737200 748.6779 2103.2102 1910.4608 117.1501 -206003.6809 17758.9240 0.0000 0.0000 34234.3111 -149130.9468 298.9768 -183365.2579 -149029.5434 299.9382 -4.2053 29.3156 557562.6389 11.5989 11.5783 PRESSURE: 1737400 120.36 -82.6974 29.5386 -82.6985 160.649 -53.7727 29.5386 -53.7703 93.3847 GPRESSURE: 1737400 211.608 12.4728 -68.4121 -70.4831 141.587 -3.93328 58.8802 -11.9686 114.571 PRESSAVG: 1737400 6.01319 10.9373 5.92326 10.9373 33.5024 -19.9458 5.92328 -19.9457 -34.8211 GPRESSAVG: 1737400 4.7778 10.3139 1.40648 11.9629 33.5978 -20.7548 10.6567 -18.2162 -33.849 TIMING: 1737400 CPU: 5239.17, 0.00304264/step Wall: 5239.17, 0.00304264/step, 2.75747 hours remaining, 208.855469 MB of memory in use. ENERGY: 1737400 687.2564 2109.9590 1943.4001 127.0355 -206001.0915 17731.4386 0.0000 0.0000 34425.8858 -148976.1160 300.6498 -183402.0019 -148879.6720 300.0089 124.7979 155.9221 555005.8825 1.5649 1.5089 PRESSURE: 1737600 -48.7645 69.6427 -89.0335 69.6433 -87.9961 -150.676 -89.0333 -150.677 -275.855 GPRESSURE: 1737600 -70.1349 90.1088 -75.7055 8.43561 -49.1988 -115.695 -103.336 -206.587 -190.571 PRESSAVG: 1737600 -51.0566 -0.907466 -9.63886 -0.907449 10.1851 -39.4008 -9.63881 -39.4008 36.763 GPRESSAVG: 1737600 -50.0127 -1.78206 -8.31775 -1.4766 10.3442 -38.3649 -11.5865 -40.3133 35.6542 TIMING: 1737600 CPU: 5239.79, 0.00307542/step Wall: 5239.79, 0.00307542/step, 2.78701 hours remaining, 208.855469 MB of memory in use. ENERGY: 1737600 738.3326 2106.5081 1935.3441 106.3521 -205710.5532 17578.2650 0.0000 0.0000 34327.1760 -148918.5753 299.7878 -183245.7514 -148833.1440 300.7920 -137.5385 -103.3016 559132.1791 -1.3695 -1.3381 PRESSURE: 1737800 -16.381 -128.865 70.7776 -128.865 -84.7558 -27.2997 70.7779 -27.2976 150.159 GPRESSURE: 1737800 -10.2692 -51.3255 -8.49735 -177.412 -16.4089 -2.61927 107.546 -72.507 184.353 PRESSAVG: 1737800 3.0185 -3.52477 -7.54786 -3.5248 1.39909 -22.2024 -7.54791 -22.2024 -25.8003 GPRESSAVG: 1737800 1.33419 -1.5429 -8.73203 -4.28489 1.51541 -22.9079 -7.79522 -24.0439 -24.5213 TIMING: 1737800 CPU: 5240.4, 0.00303798/step Wall: 5240.4, 0.00303798/step, 2.75292 hours remaining, 208.855469 MB of memory in use. ENERGY: 1737800 786.6156 2098.5119 1917.3954 114.6764 -206116.3395 17822.3273 0.0000 0.0000 34386.4259 -148990.3871 300.3052 -183376.8130 -148897.9325 300.4853 16.3408 52.5583 558002.2406 -7.1276 -7.2239 PRESSURE: 1738000 64.087 -45.1046 -51.8354 -45.1045 134.21 128.675 -51.8349 128.675 2.30362 GPRESSURE: 1738000 153.718 -75.12 -38.4669 -79.3423 106.563 161.242 -66.9361 131.108 43.2363 PRESSAVG: 1738000 -26.252 30.3597 -70.1864 30.3597 44.1964 -22.2384 -70.1864 -22.2384 -0.106683 GPRESSAVG: 1738000 -25.6835 30.0092 -71.5699 29.5696 45.1933 -20.0454 -69.765 -22.5263 -1.24399 TIMING: 1738000 CPU: 5241, 0.00301002/step Wall: 5241, 0.00301002/step, 2.72741 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: 1738000 766.3901 2110.1274 1904.1879 102.4126 -206165.1182 18056.4818 0.0000 0.0000 34370.6330 -148854.8854 300.1673 -183225.5184 -148758.2072 300.2389 66.8667 101.1723 558697.7871 5.9459 6.0886 PRESSURE: 1738200 -217.146 -10.7396 -32.5936 -10.7393 -203.421 72.5555 -32.5938 72.5553 -319.386 GPRESSURE: 1738200 -192.775 -101.696 -31.4418 36.73 -185.896 69.3865 -41.774 64.1667 -254.592 PRESSAVG: 1738200 -8.68224 -34.8226 -40.4202 -34.8227 35.777 14.1292 -40.4204 14.129 -42.104 GPRESSAVG: 1738200 -7.69134 -33.7417 -38.2949 -33.6911 34.0943 11.8173 -42.335 13.8911 -41.7846 TIMING: 1738200 CPU: 5241.6, 0.00300516/step Wall: 5241.6, 0.00300516/step, 2.72284 hours remaining, 208.855469 MB of memory in use. ENERGY: 1738200 722.8228 2120.4618 1953.9883 113.6581 -205946.2641 17621.7916 0.0000 0.0000 34371.8774 -149041.6641 300.1782 -183413.5415 -148945.7465 300.2374 -246.6509 -211.0875 559871.5446 -5.0031 -5.1272 PRESSURE: 1738400 101.201 -34.5384 51.464 -34.5379 -171.791 -98.5907 51.4654 -98.5899 -107.367 GPRESSURE: 1738400 101.077 -64.3121 73.5519 -7.74245 -83.8104 -173.174 68.2665 -47.5754 -101.231 PRESSAVG: 1738400 32.6963 43.3342 -10.5036 43.3342 -13.3414 12.8479 -10.5034 12.8481 -16.8731 GPRESSAVG: 1738400 31.9784 40.9502 -11.5196 45.0662 -13.1753 15.0174 -8.60466 14.2899 -16.5975 TIMING: 1738400 CPU: 5242.2, 0.0030086/step Wall: 5242.2, 0.0030086/step, 2.72579 hours remaining, 208.855469 MB of memory in use. ENERGY: 1738400 727.2320 2095.7698 1929.0369 116.9493 -206274.4837 17934.4886 0.0000 0.0000 34360.6897 -149110.3173 300.0804 -183471.0070 -149009.2373 299.5405 -59.3191 -27.9884 556899.0233 0.8273 0.7352 PRESSURE: 1738600 -33.857 -150.363 -223.892 -150.363 197.256 101.589 -223.894 101.589 219.868 GPRESSURE: 1738600 -37.1659 -181.687 -180.257 -65.0606 203.963 97.7707 -186.646 63.5557 309.184 PRESSAVG: 1738600 -27.2763 1.53562 -4.14414 1.53567 -14.0615 51.5983 -4.14418 51.5982 49.3696 GPRESSAVG: 1738600 -25.9856 4.01449 -3.88905 2.87341 -14.9652 49.8852 -4.20741 52.4795 49.0457 TIMING: 1738600 CPU: 5242.8, 0.00301671/step Wall: 5242.8, 0.00301671/step, 2.73297 hours remaining, 208.855469 MB of memory in use. ENERGY: 1738600 750.9672 2147.7137 1890.4711 112.3707 -206041.1470 17744.5089 0.0000 0.0000 34324.4557 -149070.6596 299.7640 -183395.1153 -148970.1108 299.8599 127.7558 158.6606 557404.3602 2.6773 2.6983 PRESSURE: 1738800 -122.688 13.1464 5.21123 13.1462 62.5297 -98.7286 5.21156 -98.7296 18.1285 GPRESSURE: 1738800 -62.6582 -66.7528 64.0961 10.2548 103.285 -164.566 -18.4627 -55.0465 5.70527 PRESSAVG: 1738800 -1.56737 25.2704 5.67857 25.2704 4.47447 4.3402 5.67863 4.34017 16.8095 GPRESSAVG: 1738800 -2.6868 24.8238 5.84403 23.62 5.33782 3.97506 4.57378 2.61103 16.8963 TIMING: 1738800 CPU: 5243.42, 0.00305365/step Wall: 5243.42, 0.00305365/step, 2.76627 hours remaining, 208.855469 MB of memory in use. ENERGY: 1738800 708.9675 2087.0927 1923.9217 111.4340 -205680.5504 17575.1493 0.0000 0.0000 34071.5155 -149202.4698 297.5550 -183273.9853 -149108.8688 299.2609 -14.0099 15.4439 559039.1707 6.5722 6.5158 PRESSURE: 1739000 72.6304 144.17 -40.2155 144.17 -303.75 140.78 -40.2158 140.778 -22.8304 GPRESSURE: 1739000 173.916 111.046 46.2267 163.496 -246.148 166.173 -83.4669 138.771 -76.0408 PRESSAVG: 1739000 31.8354 4.40591 22.1175 4.40586 -47.8713 27.1724 22.1174 27.1724 13.0714 GPRESSAVG: 1739000 31.3148 4.94249 21.9083 4.49939 -47.6501 28.0167 23.9129 27.4764 13.4234 TIMING: 1739000 CPU: 5244.02, 0.00301107/step Wall: 5244.02, 0.00301107/step, 2.72753 hours remaining, 208.855469 MB of memory in use. ENERGY: 1739000 764.0379 2119.0357 1917.7872 103.6608 -206130.2485 17601.8896 0.0000 0.0000 34388.9569 -149234.8804 300.3273 -183623.8374 -149134.5365 299.2970 -84.6499 -49.4244 557500.8398 -0.9882 -0.9706 PRESSURE: 1739200 -173.569 53.4685 89.0102 53.4685 -0.125962 31.0973 89.0115 31.0993 -45.1792 GPRESSURE: 1739200 -167.799 -3.62845 75.4068 61.6415 75.7461 1.34398 62.7648 2.44097 -36.8272 PRESSAVG: 1739200 73.5822 29.858 2.34183 29.858 -65.4452 -17.5392 2.34194 -17.5393 -15.3421 GPRESSAVG: 1739200 73.5275 30.3322 1.70862 27.9563 -65.6774 -18.0867 1.59953 -16.2946 -15.717 TIMING: 1739200 CPU: 5244.62, 0.00301538/step Wall: 5244.62, 0.00301538/step, 2.73127 hours remaining, 208.855469 MB of memory in use. ENERGY: 1739200 769.8093 2123.5307 1952.3626 115.3803 -206157.9270 17657.5504 0.0000 0.0000 34103.8130 -149435.4808 297.8371 -183539.2938 -149340.9715 299.3048 -72.9581 -42.9601 556696.9125 -2.4017 -2.6223 PRESSURE: 1739400 -77.8953 -58.9641 89.2634 -58.9653 93.3355 -32.7017 89.2633 -32.7007 -182.257 GPRESSURE: 1739400 -0.229929 -24.8 82.4897 -13.7785 91.7268 -53.781 68.0149 27.2934 -171.322 PRESSAVG: 1739400 24.002 0.0798304 -43.7264 0.0798525 -15.3215 -7.12212 -43.7264 -7.12219 -25.7185 GPRESSAVG: 1739400 25.0863 0.100724 -41.8446 2.41523 -15.4313 -8.39127 -43.9613 -7.53903 -26.9163 TIMING: 1739400 CPU: 5245.23, 0.00302805/step Wall: 5245.23, 0.00302805/step, 2.74257 hours remaining, 208.855469 MB of memory in use. ENERGY: 1739400 751.9611 2102.6486 1940.9047 123.1757 -206230.7485 17770.8645 0.0000 0.0000 34209.2826 -149331.9113 298.7582 -183541.1939 -149233.9143 298.4796 -55.6056 -26.6085 558284.7333 -5.6794 -5.7538 PRESSURE: 1739600 -161.433 -171.979 -130.101 -171.979 -55.6599 -32.3941 -130.101 -32.3929 -331.3 GPRESSURE: 1739600 -156.584 -168.825 -25.6693 -86.3556 -6.78861 48.8533 -224.104 -121.877 -290.148 PRESSAVG: 1739600 19.2321 -2.14301 -79.4568 -2.14314 21.8593 -8.04549 -79.4567 -8.04559 -8.37096 GPRESSAVG: 1739600 19.7409 -2.61207 -81.068 -4.8042 21.932 -6.39953 -78.7213 -8.83462 -8.78657 TIMING: 1739600 CPU: 5245.83, 0.00300494/step Wall: 5245.83, 0.00300494/step, 2.72147 hours remaining, 208.855469 MB of memory in use. ENERGY: 1739600 739.2984 2035.2240 1954.9270 102.6105 -205896.5257 17580.0095 0.0000 0.0000 34072.5889 -149411.8674 297.5644 -183484.4563 -149315.1127 298.6043 -182.7975 -151.1737 558278.5635 10.9068 10.9621 PRESSURE: 1739800 -206.871 39.327 83.0849 39.3265 -16.4682 215.614 83.0844 215.614 -6.65924 GPRESSURE: 1739800 -171.87 47.5064 35.6823 40.4692 19.0191 281.405 117.935 90.5329 28.2128 PRESSAVG: 1739800 -21.3418 -31.663 -108.434 -31.663 7.57566 -24.8371 -108.433 -24.837 8.0081 GPRESSAVG: 1739800 -21.8354 -32.5235 -109.102 -30.8797 6.21472 -25.5844 -110.014 -24.4975 9.6899 TIMING: 1739800 CPU: 5246.43, 0.0030231/step Wall: 5246.43, 0.0030231/step, 2.73775 hours remaining, 208.855469 MB of memory in use. ENERGY: 1739800 755.4719 2152.8416 1925.5681 109.7246 -205988.0575 17587.5573 0.0000 0.0000 34195.0086 -149261.8854 298.6335 -183456.8940 -149171.4857 298.8307 -76.6662 -41.5460 557221.5820 -1.9194 -1.9769 PRESSURE: 1740000 61.7938 -41.9323 -111.949 -41.9337 115.584 -101.668 -111.948 -101.667 142.915 GPRESSURE: 1740000 93.7387 -55.7365 -62.4503 -55.8966 160.604 -53.2043 -112.452 -75.3177 162.89 PRESSAVG: 1740000 26.0846 -43.3008 -28.1796 -43.3008 21.3358 27.4393 -28.1796 27.4393 -12.7239 GPRESSAVG: 1740000 25.8654 -41.518 -27.5127 -43.2861 21.8281 28.9213 -25.436 29.4045 -13.2107 TIMING: 1740000 CPU: 5247.03, 0.00299222/step Wall: 5247.03, 0.00299222/step, 2.70962 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: 1740000 726.1457 2102.6046 1924.4854 105.9357 -206240.8659 17919.8342 0.0000 0.0000 34102.2593 -149359.6010 297.8235 -183461.8603 -149261.1263 299.6046 106.7643 139.0777 556929.5151 11.5655 11.4943 PRESSURE: 1740200 180.826 49.0754 68.262 49.0755 251.026 -10.5229 68.2622 -10.5216 -55.455 GPRESSURE: 1740200 184.191 61.8913 92.9546 63.2418 227.471 -54.3726 95.2743 -74.1818 63.8759 PRESSAVG: 1740200 -34.6985 -41.3928 -13.1081 -41.3928 39.9766 -5.55527 -13.1081 -5.55522 -46.7428 GPRESSAVG: 1740200 -34.7099 -42.851 -12.6052 -40.9339 40.0522 -6.46982 -14.1368 -10.1909 -46.7403 TIMING: 1740200 CPU: 5247.63, 0.00301439/step Wall: 5247.63, 0.00301439/step, 2.72953 hours remaining, 208.855469 MB of memory in use. ENERGY: 1740200 750.6765 2070.6749 1952.1062 98.2897 -206413.8802 18047.7775 0.0000 0.0000 34266.0656 -149228.2896 299.2541 -183494.3552 -149129.9994 299.6488 125.4657 158.5124 556304.5905 -13.8216 -13.7993 LDB: ============= START OF LOAD BALANCING ============== 5251.16 LDB: ============== END OF LOAD BALANCING =============== 5251.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5251.16 LDB: ============= START OF LOAD BALANCING ============== 5251.46 LDB: Largest compute 4800 load 0.032865 is 27.9% of average load 0.117964 LDB: Average compute 0.001730 is 1.5% of average load 0.117964 LDB: TIME 5251.46 LOAD: AVG 0.117964 MAX 0.215625 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.652 MB LDB: TIME 5251.46 LOAD: AVG 0.117964 MAX 0.215625 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.723 MB LDB: TIME 5251.46 LOAD: AVG 0.117964 MAX 0.215625 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.723 MB LDB: ============== END OF LOAD BALANCING =============== 5251.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5251.47 PRESSURE: 1740400 56.5387 160.612 -92.3069 160.612 -305.563 -63.8793 -92.3077 -63.8794 147.645 GPRESSURE: 1740400 48.4447 138.782 -37.4636 81.8505 -266.578 -80.1281 -127.483 -86.3685 209.786 PRESSAVG: 1740400 54.7912 58.4344 33.9307 58.4345 -1.18198 -20.589 33.9308 -20.589 -23.6795 GPRESSAVG: 1740400 53.8356 60.0843 32.6146 57.9313 0.389908 -18.895 32.9583 -18.9933 -24.3851 TIMING: 1740400 CPU: 5248.25, 0.00307941/step Wall: 5248.25, 0.00307941/step, 2.78823 hours remaining, 209.617188 MB of memory in use. ENERGY: 1740400 755.9375 2122.1176 1947.2454 122.8640 -206230.4008 17655.8969 0.0000 0.0000 34459.9543 -149166.3852 300.9474 -183626.3395 -149076.0508 299.4064 -33.7932 -2.7826 555340.3794 9.9766 9.9468 PRESSURE: 1740600 113.113 -9.02843 -79.6253 -9.02771 240.768 -33.145 -79.6242 -33.1467 198.582 GPRESSURE: 1740600 57.8482 21.9833 -137.371 24.0763 300.957 -55.8024 -53.597 11.8309 280.352 PRESSAVG: 1740600 34.3156 -5.14992 24.7906 -5.15006 -42.8878 0.615598 24.7906 0.615611 6.50711 GPRESSAVG: 1740600 35.1401 -6.06172 25.1349 -4.3587 -44.4069 0.959671 24.2713 0.112611 7.43034 TIMING: 1740600 CPU: 5248.85, 0.00299312/step Wall: 5248.85, 0.00299312/step, 2.70994 hours remaining, 209.886719 MB of memory in use. ENERGY: 1740600 754.3798 2122.3997 1944.0233 117.0953 -206673.6075 18081.7502 0.0000 0.0000 34235.1439 -149418.8153 298.9840 -183653.9593 -149321.7386 298.7920 184.1548 213.0523 556211.1845 -0.6884 -0.6122 PRESSURE: 1740800 147.959 -115.522 -37.4174 -115.522 -224.894 113.31 -37.4188 113.308 -371.153 GPRESSURE: 1740800 187.522 -177.698 29.597 -10.1246 -194.376 54.5194 -37.3272 92.1968 -353.74 PRESSAVG: 1740800 -5.80728 11.8639 22.8568 11.8637 7.20128 16.5186 22.8568 16.5188 30.6365 GPRESSAVG: 1740800 -6.16605 9.22795 22.1551 13.7254 7.50402 15.0607 22.2924 18.3064 30.7792 TIMING: 1740800 CPU: 5249.45, 0.00302197/step Wall: 5249.45, 0.00302197/step, 2.73589 hours remaining, 209.886719 MB of memory in use. ENERGY: 1740800 756.9714 2132.6208 1917.5696 111.1172 -205857.5104 17398.8823 0.0000 0.0000 34235.3884 -149304.9607 298.9862 -183540.3491 -149202.4070 298.9917 -149.3626 -120.1977 558850.3379 10.6768 10.7057 PRESSURE: 1741000 -81.6646 126.428 -156.103 126.428 6.20699 101.309 -156.102 101.309 24.601 GPRESSURE: 1741000 -67.569 89.6428 -84.1544 147.688 23.6165 179.093 -138.934 106.159 95.1802 PRESSAVG: 1741000 48.3003 22.8174 2.06433 22.8175 -10.8281 -3.72577 2.06438 -3.72572 -24.1835 GPRESSAVG: 1741000 49.2711 24.0676 2.56463 22.6923 -11.0179 -3.10071 1.963 -5.00111 -25.5177 TIMING: 1741000 CPU: 5250.06, 0.00302936/step Wall: 5250.06, 0.00302936/step, 2.74241 hours remaining, 209.886719 MB of memory in use. ENERGY: 1741000 790.7300 2134.7429 1915.8362 113.8013 -206855.3031 18017.7145 0.0000 0.0000 34452.6779 -149429.8001 300.8838 -183882.4780 -149332.3749 299.5111 -16.9522 17.0759 556101.3690 4.4296 4.2452 PRESSURE: 1741200 -386.445 77.3648 -15.6539 77.3652 59.3876 60.0007 -15.6528 59.9989 -578.956 GPRESSURE: 1741200 -372.859 47.1504 -0.705522 0.822898 112.618 -39.6196 -93.8805 134.842 -554.726 PRESSAVG: 1741200 4.70551 -35.5574 -2.76722 -35.5574 0.0588981 0.157941 -2.76718 0.157915 11.0886 GPRESSAVG: 1741200 4.90553 -34.2499 -0.803882 -36.3622 -0.518694 -0.350821 -2.80727 1.30833 11.4875 TIMING: 1741200 CPU: 5250.66, 0.00301894/step Wall: 5250.66, 0.00301894/step, 2.73281 hours remaining, 209.886719 MB of memory in use. ENERGY: 1741200 746.6333 2119.0542 1933.6609 102.7089 -205900.7896 17396.6459 0.0000 0.0000 34306.3689 -149295.7177 299.6061 -183602.0865 -149196.1552 299.2376 -302.0043 -271.6558 558414.4349 5.2843 5.2914 PRESSURE: 1741400 121.758 -29.1853 18.2051 -29.1854 110.036 -18.7071 18.2039 -18.7062 20.5099 GPRESSURE: 1741400 128.011 -92.9086 64.0523 52.3682 144.185 -71.8228 44.5081 -15.6227 69.2185 PRESSAVG: 1741400 -16.2047 15.9936 37.8909 15.9936 -1.76839 30.5269 37.8909 30.5268 40.348 GPRESSAVG: 1741400 -17.1977 15.5747 34.3734 14.8608 -1.24419 29.6068 40.9302 30.0701 40.84 TIMING: 1741400 CPU: 5251.26, 0.0030005/step Wall: 5251.26, 0.0030005/step, 2.71596 hours remaining, 209.886719 MB of memory in use. ENERGY: 1741400 710.9734 2097.7201 1915.7394 113.3663 -205965.9667 17928.6129 0.0000 0.0000 34291.6337 -148907.9209 299.4774 -183199.5546 -148813.1882 299.5440 84.1015 113.8049 558542.1726 7.4583 7.4660 PRESSURE: 1741600 72.1848 40.6778 12.5851 40.6783 -102.797 -81.5219 12.5844 -81.5231 154.588 GPRESSURE: 1741600 94.4188 24.0239 22.6316 7.07425 -54.8495 -28.7174 -3.12551 -150.281 182.142 PRESSAVG: 1741600 -20.4782 -4.70219 -19.92 -4.70211 -32.4495 -11.8673 -19.9199 -11.8672 59.7902 GPRESSAVG: 1741600 -20.5892 -5.74191 -17.1952 -4.76139 -31.8016 -10.9227 -21.8485 -12.1928 59.0702 TIMING: 1741600 CPU: 5251.86, 0.00300478/step Wall: 5251.86, 0.00300478/step, 2.71966 hours remaining, 209.886719 MB of memory in use. ENERGY: 1741600 741.3614 2176.6465 1928.8570 109.7576 -206180.3671 17922.5141 0.0000 0.0000 34332.6904 -148968.5399 299.8359 -183301.2304 -148875.0483 300.2380 41.3253 73.9038 559288.3140 2.2875 2.2265 PRESSURE: 1741800 298.564 137.82 52.3145 137.82 -76.8614 -272.173 52.315 -272.173 247.217 GPRESSURE: 1741800 326.575 83.9409 13.3042 85.0426 -1.73716 -261.807 2.77595 -300.775 233.322 PRESSAVG: 1741800 -33.8667 12.2526 -21.1417 12.2526 -42.892 -33.0644 -21.1417 -33.0644 27.7818 GPRESSAVG: 1741800 -33.8768 12.0022 -22.2125 14.0245 -43.0597 -32.4061 -19.3444 -33.926 27.7771 TIMING: 1741800 CPU: 5252.46, 0.00300525/step Wall: 5252.46, 0.00300525/step, 2.71991 hours remaining, 209.886719 MB of memory in use. ENERGY: 1741800 728.5158 2135.3045 1928.8984 112.2357 -206101.0450 17919.9985 0.0000 0.0000 34341.9135 -148934.1785 299.9165 -183276.0921 -148833.4157 300.3687 156.3066 186.0531 557623.9285 -16.3256 -16.3865 PRESSURE: 1742000 -106.412 -66.5551 37.8951 -66.5566 -117.233 -116.851 37.894 -116.85 -112.477 GPRESSURE: 1742000 -75.6043 -73.1438 112.792 -20.4787 -141.924 -123.292 -4.59135 -128.487 -15.7295 PRESSAVG: 1742000 21.4945 -58.4607 -48.3053 -58.4607 -52.5751 -69.4315 -48.3054 -69.4314 47.4321 GPRESSAVG: 1742000 21.934 -56.199 -45.9477 -59.5414 -53.6688 -70.0435 -48.6985 -68.9045 48.1985 TIMING: 1742000 CPU: 5253.07, 0.00302728/step Wall: 5253.07, 0.00302728/step, 2.73969 hours remaining, 209.957031 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: 1742000 774.4392 2085.2837 1943.3057 111.8796 -205812.9955 17626.8045 0.0000 0.0000 34280.7235 -148990.5593 299.3821 -183271.2828 -148900.3259 300.0867 -112.0404 -77.7525 558596.7443 5.4505 5.4879 PRESSURE: 1742200 -46.2935 -118.535 25.7854 -118.535 -266.021 -47.7556 25.7842 -47.7563 -161.412 GPRESSURE: 1742200 -52.3259 -139.543 -75.137 -108.75 -214.248 -12.8566 51.4037 -64.93 -109.003 PRESSAVG: 1742200 -38.7662 -23.0359 -28.0012 -23.036 5.24221 -23.0527 -28.0012 -23.0528 1.84127 GPRESSAVG: 1742200 -38.4659 -24.3922 -29.7018 -23.9974 5.46587 -22.6631 -28.2734 -21.949 1.453 TIMING: 1742200 CPU: 5253.67, 0.00301968/step Wall: 5253.67, 0.00301968/step, 2.73264 hours remaining, 209.957031 MB of memory in use. ENERGY: 1742200 770.5891 2158.4188 1929.3963 116.1836 -206168.3597 17758.9726 0.0000 0.0000 34470.8333 -148963.9660 301.0424 -183434.7993 -148866.1936 300.3988 -157.9089 -125.1921 556893.4199 -10.5609 -10.5157 PRESSURE: 1742400 -93.3142 -26.8428 173.969 -26.8437 -197.486 125.235 173.969 125.235 -134.317 GPRESSURE: 1742400 -79.7757 -28.0499 192.485 -77.8421 -146.291 97.3464 145.067 67.0508 -105.33 PRESSAVG: 1742400 61.3114 -0.310897 10.3353 -0.310941 -7.16649 -16.1196 10.3353 -16.1196 -38.5715 GPRESSAVG: 1742400 60.4121 0.759569 9.38191 2.87824 -5.8833 -17.2942 10.9222 -15.3786 -38.5851 TIMING: 1742400 CPU: 5254.27, 0.00298935/step Wall: 5254.27, 0.00298935/step, 2.70503 hours remaining, 209.957031 MB of memory in use. ENERGY: 1742400 743.8641 2125.0773 1936.0947 110.6370 -205734.9857 17466.3645 0.0000 0.0000 34260.6566 -149092.2916 299.2068 -183352.9483 -148992.5960 300.4851 -141.7058 -110.4655 559304.6128 5.1911 5.3146 PRESSURE: 1742600 31.3832 31.1192 191.714 31.1186 -252.468 100.965 191.713 100.965 -261.187 GPRESSURE: 1742600 103.074 -9.913 172.081 24.1891 -269.957 177.418 95.2252 64.6196 -210.841 PRESSAVG: 1742600 11.6901 4.24868 17.482 4.24869 3.01028 -5.96791 17.482 -5.96787 -19.7753 GPRESSAVG: 1742600 12.2634 4.63397 17.131 3.44549 3.58088 -6.9385 18.3261 -6.72146 -20.5825 TIMING: 1742600 CPU: 5254.87, 0.00300606/step Wall: 5254.87, 0.00300607/step, 2.71999 hours remaining, 209.957031 MB of memory in use. ENERGY: 1742600 785.8114 2115.3317 1915.5688 97.4202 -206237.1180 17862.7015 0.0000 0.0000 34343.2437 -149117.0408 299.9281 -183460.2845 -149016.0335 300.0998 -160.7570 -125.9079 558684.0280 -1.6917 -1.5794 PRESSURE: 1742800 -200.739 140.928 -22.4758 140.928 -63.2664 -9.13908 -22.476 -9.13993 112.067 GPRESSURE: 1742800 -140.84 91.9838 -47.0211 176.338 -36.724 8.33463 -14.5525 -38.8995 126.02 PRESSAVG: 1742800 -28.4952 8.6659 67.2042 8.66603 56.7126 35.9435 67.2042 35.9435 -62.3093 GPRESSAVG: 1742800 -30.3796 7.35645 69.5664 8.83767 57.593 38.5482 65.5814 32.8624 -61.5444 TIMING: 1742800 CPU: 5255.47, 0.00301137/step Wall: 5255.47, 0.00301137/step, 2.72462 hours remaining, 209.957031 MB of memory in use. ENERGY: 1742800 752.8831 2104.7484 1929.1232 118.3370 -206379.2228 17920.4712 0.0000 0.0000 34419.6135 -149134.0464 300.5950 -183553.6599 -149035.3519 299.0760 -50.6462 -17.1813 557669.6512 -11.3639 -11.4437 PRESSURE: 1743000 18.4934 -59.9462 88.3778 -59.9459 275.747 -7.61137 88.3788 -7.61034 -31.0242 GPRESSURE: 1743000 80.7949 -192.198 92.6299 21.5436 279.853 113.167 140.514 -46.6445 -9.82591 PRESSAVG: 1743000 -36.4514 37.4455 82.5731 37.4455 1.78547 21.6487 82.5732 21.6488 -9.34109 GPRESSAVG: 1743000 -34.7647 35.5544 81.8093 37.9188 0.220827 19.9457 83.644 22.8826 -9.52456 TIMING: 1743000 CPU: 5256.07, 0.00298111/step Wall: 5256.07, 0.00298111/step, 2.69708 hours remaining, 209.957031 MB of memory in use. ENERGY: 1743000 719.1479 2081.5925 1937.2432 133.9616 -206213.7534 17942.0868 0.0000 0.0000 34298.1548 -149101.5666 299.5343 -183399.7214 -149006.9807 299.0322 87.7386 116.9407 556824.6360 -14.6690 -14.6895 PRESSURE: 1743200 245.648 -59.9382 -56.2373 -59.9379 116.46 33.884 -56.2367 33.8853 9.98213 GPRESSURE: 1743200 216.966 -155.154 -103.166 -25.8231 129.933 58.9528 28.1544 86.0492 126.411 PRESSAVG: 1743200 20.428 -8.38623 -18.6403 -8.38621 61.5034 57.3281 -18.6403 57.3282 -14.906 GPRESSAVG: 1743200 19.8796 -5.15093 -18.8736 -10.5482 60.8405 59.21 -19.7703 58.7278 -13.9707 TIMING: 1743200 CPU: 5256.67, 0.00297881/step Wall: 5256.67, 0.00297881/step, 2.69483 hours remaining, 209.957031 MB of memory in use. ENERGY: 1743200 764.2355 2099.9028 1915.9214 118.2947 -206086.0250 17785.3809 0.0000 0.0000 34316.9005 -149085.3893 299.6980 -183402.2898 -148989.8574 299.5181 124.0301 157.7699 556458.1527 22.3418 22.2498 PRESSURE: 1743400 -87.7395 28.3746 32.5959 28.3747 199.647 -68.5188 32.5958 -68.5179 261.424 GPRESSURE: 1743400 -47.3843 -20.7189 45.6753 58.1609 196.676 -89.5449 -8.79667 -108.996 307.514 PRESSAVG: 1743400 29.0349 0.500625 13.6663 0.500619 -4.2629 41.0292 13.6662 41.0291 -43.2132 GPRESSAVG: 1743400 28.738 0.382873 15.3725 0.415224 -3.36312 38.898 14.3965 40.3861 -44.0776 TIMING: 1743400 CPU: 5257.27, 0.00300218/step Wall: 5257.27, 0.00300218/step, 2.71581 hours remaining, 209.957031 MB of memory in use. ENERGY: 1743400 734.1468 2192.4685 1934.9947 112.8708 -206517.3289 17884.0319 0.0000 0.0000 34441.0909 -149217.7254 300.7826 -183658.8162 -149123.5348 299.6333 124.4439 152.2684 556151.9088 -6.1471 -6.2343 PRESSURE: 1743600 3.21649 17.1573 5.82876 17.1572 102.643 44.1232 5.82842 44.1212 -337.473 GPRESSURE: 1743600 17.8848 -69.5339 -10.9035 11.3715 81.2462 109.403 -25.3382 -69.5405 -236.524 PRESSAVG: 1743600 -13.3732 -6.90521 -10.8378 -6.90526 -4.00121 -18.529 -10.8379 -18.529 33.75 GPRESSAVG: 1743600 -12.5204 -6.49275 -13.2478 -6.52223 -3.92549 -18.4012 -9.99025 -18.2704 32.3806 TIMING: 1743600 CPU: 5257.87, 0.0029974/step Wall: 5257.87, 0.0029974/step, 2.71131 hours remaining, 209.957031 MB of memory in use. ENERGY: 1743600 743.1835 2112.0856 1925.7055 122.8814 -206128.8139 17802.2754 0.0000 0.0000 34223.4721 -149199.2104 298.8821 -183422.6825 -149098.4155 299.3874 -77.2047 -45.7976 557043.2163 5.4585 5.3116 PRESSURE: 1743800 227.889 -145.728 -9.7085 -145.728 43.8769 -79.0419 -9.70858 -79.0422 -45.2712 GPRESSURE: 1743800 249.054 -47.0909 96.438 -158.703 37.3312 -118.186 -53.9131 -67.7028 41.5487 PRESSAVG: 1743800 -46.671 -15.1095 33.8165 -15.1094 23.3882 -32.4921 33.8166 -32.4921 48.6257 GPRESSAVG: 1743800 -46.9076 -17.2114 35.443 -14.2056 23.2003 -32.8325 32.1422 -34.2497 49.4163 TIMING: 1743800 CPU: 5258.47, 0.00301128/step Wall: 5258.47, 0.00301128/step, 2.72371 hours remaining, 209.957031 MB of memory in use. ENERGY: 1743800 750.1097 2098.4406 1938.8695 118.8415 -206365.5085 17983.5148 0.0000 0.0000 34231.1226 -149244.6096 298.9489 -183475.7323 -149139.9761 299.1418 75.4981 109.3112 555817.8707 8.4476 8.5697 PRESSURE: 1744000 -8.92904 19.7615 -20.8685 19.7613 -215.761 -72.3261 -20.8677 -72.3264 -200.254 GPRESSURE: 1744000 34.2431 -66.8376 -43.6044 23.2622 -154.192 -82.0567 20.9346 -125.416 -210.406 PRESSAVG: 1744000 51.03 36.7026 59.4521 36.7026 5.45471 -60.8345 59.452 -60.8346 -24.6812 GPRESSAVG: 1744000 51.5982 38.412 60.4722 36.7972 4.26559 -60.182 58.9262 -60.6595 -24.0766 TIMING: 1744000 CPU: 5259.07, 0.00300479/step Wall: 5259.07, 0.00300479/step, 2.71767 hours remaining, 209.957031 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: 1744000 764.7397 2137.8433 1899.1772 125.2558 -205798.6462 17622.4156 0.0000 0.0000 34168.2594 -149080.9552 298.3999 -183249.2147 -148989.7473 299.9421 -141.6481 -110.1181 557528.1704 10.6012 10.5957 PRESSURE: 1744200 -40.6306 -109.502 -63.9475 -109.502 -169.411 -46.2706 -63.9485 -46.2727 -287.136 GPRESSURE: 1744200 -57.8858 -125.899 -59.4866 -138.308 -71.9307 -84.4202 46.6741 -25.4374 -271.882 PRESSAVG: 1744200 23.5375 -29.7419 -25.0979 -29.7419 7.29385 -3.90824 -25.0979 -3.90825 -82.3243 GPRESSAVG: 1744200 22.9647 -29.0282 -28.164 -32.7469 8.2387 -4.29107 -24.381 -3.01704 -83.6317 TIMING: 1744200 CPU: 5259.68, 0.00302668/step Wall: 5259.68, 0.00302668/step, 2.73729 hours remaining, 209.957031 MB of memory in use. ENERGY: 1744200 732.0881 2102.9155 1924.1864 116.9765 -205912.0036 17458.0617 0.0000 0.0000 34448.6105 -149129.1649 300.8483 -183577.7753 -149026.0686 299.6462 -165.7258 -133.8996 557348.3070 -17.1643 -17.4761 LDB: ============= START OF LOAD BALANCING ============== 5263.2 LDB: ============== END OF LOAD BALANCING =============== 5263.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5263.2 LDB: ============= START OF LOAD BALANCING ============== 5263.5 LDB: Largest compute 4800 load 0.031562 is 26.8% of average load 0.117972 LDB: Average compute 0.001725 is 1.5% of average load 0.117972 LDB: TIME 5263.5 LOAD: AVG 0.117972 MAX 0.212775 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.902 MB LDB: TIME 5263.5 LOAD: AVG 0.117972 MAX 0.212775 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.973 MB LDB: TIME 5263.5 LOAD: AVG 0.117972 MAX 0.212775 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.973 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5263.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5263.51 PRESSURE: 1744400 143.946 -18.5399 43.3344 -18.5389 62.6629 56.2494 43.3334 56.2478 -94.1286 GPRESSURE: 1744400 227.576 -69.0863 71.3168 -97.2797 8.33551 31.0159 126.334 -9.76864 -19.5789 PRESSAVG: 1744400 26.0534 -38.8735 -0.100625 -38.8734 76.0807 3.63479 -0.100668 3.63485 -45.9612 GPRESSAVG: 1744400 26.7208 -40.7265 1.38019 -36.8952 74.8713 4.83223 1.63078 2.28995 -45.1798 TIMING: 1744400 CPU: 5260.29, 0.00307992/step Wall: 5260.29, 0.00307992/step, 2.78528 hours remaining, 209.414062 MB of memory in use. ENERGY: 1744400 765.8127 2105.6112 1944.3250 99.3955 -206415.8534 17981.8814 0.0000 0.0000 34342.0727 -149176.7549 299.9179 -183518.8276 -149082.4976 299.5684 37.4934 72.1107 555769.8107 18.7243 18.8041 PRESSURE: 1744600 -52.8921 12.8581 -80.9157 12.8565 95.8602 123.562 -80.9157 123.563 -250.215 GPRESSURE: 1744600 -74.3209 54.3002 -2.74409 21.1691 202.85 28.1544 -84.6933 105.805 -223.802 PRESSAVG: 1744600 21.2506 37.7321 16.8559 37.7321 5.1596 26.0999 16.8559 26.0999 1.05342 GPRESSAVG: 1744600 21.3233 38.4874 16.0525 36.1785 5.04846 26.26 13.8163 27.2663 1.18658 TIMING: 1744600 CPU: 5260.89, 0.00299576/step Wall: 5260.89, 0.00299576/step, 2.709 hours remaining, 209.617188 MB of memory in use. ENERGY: 1744600 759.1561 2084.5526 1915.0571 114.7224 -206236.5519 17766.0034 0.0000 0.0000 34412.8810 -149184.1794 300.5362 -183597.0603 -149088.5223 299.9187 -69.0823 -31.7577 556655.2993 9.1545 9.1861 PRESSURE: 1744800 -287.983 -231.277 61.4196 -231.277 16.0475 -94.7302 61.4201 -94.7285 30.2595 GPRESSURE: 1744800 -254.367 -286.419 3.38894 -221.043 25.6182 -114.771 107.512 -38.3722 84.9518 PRESSAVG: 1744800 -22.4238 33.8964 0.278688 33.8963 75.2507 -37.7985 0.278719 -37.7985 -72.8716 GPRESSAVG: 1744800 -22.9714 32.548 -0.0714613 35.4711 76.185 -38.5589 2.72477 -36.8614 -73.3182 TIMING: 1744800 CPU: 5261.49, 0.00298777/step Wall: 5261.49, 0.00298777/step, 2.70161 hours remaining, 209.617188 MB of memory in use. ENERGY: 1744800 729.1334 2102.6686 1950.5807 103.5187 -205998.9228 17656.9945 0.0000 0.0000 34205.4992 -149250.5277 298.7251 -183456.0269 -149157.9327 300.2491 -80.5588 -47.9324 556800.5754 -6.6815 -6.7015 PRESSURE: 1745000 37.7244 16.7337 -61.4949 16.7335 -97.8386 -74.1401 -61.4943 -74.1392 -45.1931 GPRESSURE: 1745000 49.6725 46.4519 -109.917 -1.6163 -21.2515 -133.257 -59.9089 -53.788 -51.7811 PRESSAVG: 1745000 55.2043 -19.2806 -63.9148 -19.2806 49.5147 35.7298 -63.9148 35.7297 -118.621 GPRESSAVG: 1745000 56.1206 -16.3133 -63.9071 -19.6529 49.6162 36.6073 -64.2179 34.4921 -119.37 TIMING: 1745000 CPU: 5262.09, 0.0029961/step Wall: 5262.09, 0.0029961/step, 2.70898 hours remaining, 209.617188 MB of memory in use. ENERGY: 1745000 740.5253 2117.5907 1923.4403 126.1905 -206268.6239 17808.0192 0.0000 0.0000 34322.1053 -149230.7525 299.7435 -183552.8578 -149129.2710 299.8682 -35.1025 -7.7867 557062.8119 -4.6339 -4.5443 PRESSURE: 1745200 -39.6028 -103.441 -96.8017 -103.44 134.584 54.6219 -96.8008 54.6212 -210.972 GPRESSURE: 1745200 -0.755022 -161.504 -78.2936 -40.1457 124.912 68.7189 -78.9005 2.71343 -146.755 PRESSAVG: 1745200 -35.47 -26.0732 4.17582 -26.0733 21.4532 61.5072 4.17583 61.5072 1.16354 GPRESSAVG: 1745200 -36.2816 -28.452 5.48887 -25.6825 20.8308 61.6577 2.5185 60.2479 2.21457 TIMING: 1745200 CPU: 5262.69, 0.00301262/step Wall: 5262.69, 0.00301262/step, 2.72374 hours remaining, 209.617188 MB of memory in use. ENERGY: 1745200 744.3534 2132.0997 1946.2472 113.1135 -206261.4160 17679.3629 0.0000 0.0000 34381.1144 -149265.1250 300.2588 -183646.2394 -149170.9727 299.3653 -38.6634 -7.5327 555944.0849 -4.2845 -4.4121 PRESSURE: 1745400 -59.5728 75.0213 -101.867 75.0206 71.4723 -6.73275 -101.867 -6.73025 -249.955 GPRESSURE: 1745400 13.3106 69.6238 -25.7292 31.2606 94.0922 33.9499 -169.021 -49.8797 -241.416 PRESSAVG: 1745400 -30.6028 26.1938 -26.047 26.1937 110.547 47.3977 -26.047 47.3977 -59.0286 GPRESSAVG: 1745400 -29.1842 27.9096 -28.3307 26.1328 110.716 45.6178 -24.2232 51.163 -60.3922 TIMING: 1745400 CPU: 5263.29, 0.00300268/step Wall: 5263.29, 0.00300268/step, 2.71459 hours remaining, 209.617188 MB of memory in use. ENERGY: 1745400 754.6111 2094.0898 1907.4096 114.4352 -205732.9685 17553.3683 0.0000 0.0000 34109.5580 -149199.4965 297.8873 -183309.0545 -149104.3863 299.4618 -79.3519 -44.6709 558258.9347 6.9720 7.0465 PRESSURE: 1745600 276.278 -26.2876 -277.303 -26.2861 83.3899 54.4872 -277.303 54.4868 236.423 GPRESSURE: 1745600 345.34 -79.1875 -231.546 36.2511 140.131 7.46278 -255.113 81.6545 211.047 PRESSAVG: 1745600 56.401 -59.977 -29.2011 -59.9769 -9.78791 -36.0514 -29.2011 -36.0515 -60.1092 GPRESSAVG: 1745600 54.2152 -61.4215 -28.7138 -59.6139 -10.1327 -36.6779 -29.01 -37.6244 -58.0833 TIMING: 1745600 CPU: 5263.89, 0.00302015/step Wall: 5263.89, 0.00302015/step, 2.73022 hours remaining, 209.617188 MB of memory in use. ENERGY: 1745600 709.4920 2080.9365 1927.4155 111.9775 -206191.5528 17953.4590 0.0000 0.0000 34199.0766 -149209.1958 298.6690 -183408.2724 -149117.7045 299.3300 198.6969 232.1726 557352.1869 -4.4987 -4.6669 PRESSURE: 1745800 -46.529 -171.544 -40.1909 -171.545 -54.4444 0.918154 -40.1911 0.917967 -114.247 GPRESSURE: 1745800 -40.7367 -130.248 -79.5701 -181.319 -73.3132 72.266 -64.3894 -7.97643 -5.96636 PRESSAVG: 1745800 -12.9918 12.4366 -25.6616 12.4365 13.4613 15.1971 -25.6616 15.1972 30.0581 GPRESSAVG: 1745800 -11.4162 14.3691 -25.8963 12.9664 13.2769 15.0472 -25.2063 14.9025 28.7099 TIMING: 1745800 CPU: 5264.5, 0.00304476/step Wall: 5264.5, 0.00304476/step, 2.7523 hours remaining, 209.617188 MB of memory in use. ENERGY: 1745800 720.0792 2111.8792 1953.4005 105.6632 -206340.4237 17810.7840 0.0000 0.0000 34421.4268 -149217.1908 300.6109 -183638.6175 -149129.6756 300.0505 -71.7403 -40.0054 556627.3406 10.1759 10.1902 PRESSURE: 1746000 201.884 -62.5665 245.879 -62.5673 72.6721 -32.4541 245.879 -32.4553 -25.2127 GPRESSURE: 1746000 234.71 -124.595 237.03 -21.0623 73.6397 -26.0606 267.053 -71.5823 41.3914 PRESSAVG: 1746000 -16.81 -16.4068 -36.7874 -16.4068 15.2009 41.5443 -36.7874 41.5445 -67.9174 GPRESSAVG: 1746000 -17.9716 -17.9853 -35.4295 -16.565 15.8994 44.367 -38.809 41.3091 -67.2342 TIMING: 1746000 CPU: 5265.11, 0.0030544/step Wall: 5265.11, 0.0030544/step, 2.76084 hours remaining, 209.617188 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: 1746000 738.4307 2087.5345 1907.6339 106.8227 -206559.1854 17966.0900 0.0000 0.0000 34464.7791 -149287.8944 300.9895 -183752.6734 -149195.3100 299.1152 83.1145 116.5802 556193.7851 -23.1755 -23.1021 PRESSURE: 1746200 -43.7473 26.5085 7.39435 26.5089 -157.411 50.5121 7.39398 50.5119 68.6291 GPRESSURE: 1746200 -51.3243 -0.739175 -2.62643 -11.4758 -89.3846 82.6229 -47.6517 -42.0548 110.051 PRESSAVG: 1746200 47.1827 11.1598 66.4795 11.1599 20.0778 1.85366 66.4795 1.85361 -45.7358 GPRESSAVG: 1746200 47.6379 12.1637 64.7947 9.79196 20.114 1.42021 69.3762 1.3579 -46.1105 TIMING: 1746200 CPU: 5265.72, 0.00305057/step Wall: 5265.72, 0.00305057/step, 2.75721 hours remaining, 209.617188 MB of memory in use. ENERGY: 1746200 717.2220 2102.7154 1919.3835 120.7022 -206275.2220 17816.9931 0.0000 0.0000 34191.6829 -149406.5227 298.6045 -183598.2057 -149312.6600 298.5653 -44.1765 -10.2193 557352.2313 7.1749 7.2138 PRESSURE: 1746400 -122.119 -119.632 1.97548 -119.633 28.6361 87.0654 1.97455 87.0674 -343.483 GPRESSURE: 1746400 -179.58 -176.535 24.7947 -85.6493 118.29 139.478 31.4648 20.4661 -276.471 PRESSAVG: 1746400 -2.05248 -9.1349 32.0401 -9.13496 -6.19455 19.4112 32.0402 19.4112 -38.2196 GPRESSAVG: 1746400 -1.63245 -9.07676 34.1968 -7.73423 -5.70758 19.9413 30.1504 19.4559 -39.4449 TIMING: 1746400 CPU: 5266.33, 0.00302014/step Wall: 5266.33, 0.00302014/step, 2.72954 hours remaining, 209.617188 MB of memory in use. ENERGY: 1746400 764.9527 2156.8680 1937.1339 115.5117 -206017.6221 17545.1344 0.0000 0.0000 34133.1824 -149364.8389 298.0936 -183498.0213 -149269.4986 298.3393 -145.6552 -112.5869 556415.4762 -15.4889 -15.5950 PRESSURE: 1746600 229.258 79.3695 -95.1822 79.37 267.583 -158.738 -95.1817 -158.738 286.338 GPRESSURE: 1746600 174.89 36.1887 -148.509 110.862 347.747 -131.449 -137.402 -173.539 345.104 PRESSAVG: 1746600 24.1688 57.6954 17.0808 57.6954 -12.1572 -13.6352 17.0809 -13.6352 -17.5219 GPRESSAVG: 1746600 23.7861 59.1543 15.3744 57.0803 -11.9344 -14.3645 17.3221 -13.9574 -17.3655 TIMING: 1746600 CPU: 5266.93, 0.00303296/step Wall: 5266.93, 0.00303296/step, 2.74095 hours remaining, 209.617188 MB of memory in use. ENERGY: 1746600 754.6821 2089.8610 1910.6726 99.5601 -206405.9401 18108.6904 0.0000 0.0000 34183.7975 -149258.6763 298.5356 -183442.4739 -149161.6247 298.6997 261.0599 289.2470 556236.4334 -1.8368 -1.8380 PRESSURE: 1746800 223.79 -64.1901 -189.194 -64.1893 30.3137 -112.36 -189.194 -112.36 -291.302 GPRESSURE: 1746800 258.82 87.1826 -135.727 -144.477 26.8443 -149.593 -198.119 -126.332 -240.731 PRESSAVG: 1746800 108.129 -28.5512 21.3931 -28.5512 -35.7117 29.463 21.3931 29.463 -53.0559 GPRESSAVG: 1746800 108.285 -30.5102 22.9578 -27.3379 -35.0057 27.6691 21.254 31.5373 -53.9988 TIMING: 1746800 CPU: 5267.54, 0.0030338/step Wall: 5267.54, 0.0030338/step, 2.74154 hours remaining, 209.617188 MB of memory in use. ENERGY: 1746800 704.9483 2070.4056 1929.5615 116.2995 -206042.1566 17695.7709 0.0000 0.0000 34277.6479 -149247.5230 299.3552 -183525.1709 -149145.2892 299.0935 -12.3992 14.9778 557033.8339 6.4537 6.4270 PRESSURE: 1747000 38.8777 25.3512 21.893 25.3515 -128.742 99.6731 21.8925 99.6734 -174.048 GPRESSURE: 1747000 49.0735 17.6986 10.772 30.7814 -130.794 105.807 -60.0766 28.64 -105.076 PRESSAVG: 1747000 65.7682 17.8498 13.7211 17.8498 -22.1325 27.9767 13.7211 27.9767 -65.9723 GPRESSAVG: 1747000 65.8104 17.2653 10.813 17.0108 -21.9993 31.1116 17.0215 25.2922 -66.3076 TIMING: 1747000 CPU: 5268.14, 0.00299669/step Wall: 5268.14, 0.00299669/step, 2.70785 hours remaining, 209.617188 MB of memory in use. ENERGY: 1747000 760.7291 2120.6186 1904.1022 106.1390 -206465.0424 17973.9488 0.0000 0.0000 34210.9657 -149388.5390 298.7729 -183599.5047 -149291.2553 298.6643 -87.9707 -62.2655 557623.8561 -7.4456 -7.4988 PRESSURE: 1747200 -240.357 158.87 -20.0769 158.869 -122.241 -15.0809 -20.0765 -15.0816 -220.324 GPRESSURE: 1747200 -228.232 66.2402 -97.0308 142.432 -107.701 -53.79 -72.6056 -19.4973 -148.291 PRESSAVG: 1747200 26.1513 51.6873 -29.5881 51.6873 8.56544 -12.0386 -29.588 -12.0385 -41.9918 GPRESSAVG: 1747200 26.0843 49.1537 -27.0128 54.8028 7.15649 -15.6219 -32.4241 -12.3885 -40.3617 TIMING: 1747200 CPU: 5268.74, 0.00300276/step Wall: 5268.74, 0.00300276/step, 2.71316 hours remaining, 209.617188 MB of memory in use. ENERGY: 1747200 760.5332 2068.2738 1920.8852 110.7752 -206103.0955 17481.4146 0.0000 0.0000 34345.6543 -149415.5591 299.9491 -183761.2134 -149321.9470 298.7650 -194.3074 -161.4079 558316.5794 -2.4250 -2.3736 PRESSURE: 1747400 56.7103 115.98 -62.3123 115.98 -91.516 108.873 -62.3125 108.873 -94.6091 GPRESSURE: 1747400 72.7855 57.4099 -69.6713 146.032 -35.0709 80.6762 -18.8195 99.1378 -66.43 PRESSAVG: 1747400 68.1201 25.7293 -31.7097 25.7294 -13.2374 -7.00402 -31.7098 -7.00392 -55.8544 GPRESSAVG: 1747400 68.1686 29.4313 -32.754 22.7306 -12.6123 -3.11712 -31.2709 -6.96584 -56.6998 TIMING: 1747400 CPU: 5269.35, 0.00303028/step Wall: 5269.35, 0.00303028/step, 2.73786 hours remaining, 209.617188 MB of memory in use. ENERGY: 1747400 743.6728 2073.1610 1971.4061 126.8215 -205998.7075 17666.4596 0.0000 0.0000 34260.0593 -149157.1272 299.2016 -183417.1865 -149057.4712 299.1351 -43.1383 -9.5718 558436.5394 -0.3239 -0.3812 PRESSURE: 1747600 137.163 -113.5 -103.955 -113.499 180.005 43.2327 -103.955 43.2316 207.286 GPRESSURE: 1747600 189.611 -165.927 -105.422 -95.2116 228.242 -0.534866 -89.5822 97.7411 208.912 PRESSAVG: 1747600 50.3339 23.5152 24.3265 23.5151 -36.9469 -29.1316 24.3265 -29.1316 -39.9117 GPRESSAVG: 1747600 49.8833 22.0486 26.6885 22.1284 -38.4638 -32.2253 21.322 -25.9438 -38.8999 TIMING: 1747600 CPU: 5269.95, 0.00302603/step Wall: 5269.95, 0.00302603/step, 2.73385 hours remaining, 209.617188 MB of memory in use. ENERGY: 1747600 738.6959 2153.0984 1959.9298 130.1459 -206589.5651 18055.3959 0.0000 0.0000 34503.0363 -149049.2628 301.3236 -183552.2991 -148950.7206 299.7344 174.8179 208.9215 556408.6764 -8.8416 -9.1601 PRESSURE: 1747800 9.00482 -1.15972 -90.3292 -1.15931 -53.007 -89.7055 -90.3293 -89.704 85.9411 GPRESSURE: 1747800 4.12793 -8.08096 -44.8792 40.7488 -14.3022 16.1664 -171.255 -101.338 151.99 PRESSAVG: 1747800 12.1035 -12.3829 -4.50536 -12.383 23.5576 -27.784 -4.50535 -27.784 -37.9874 GPRESSAVG: 1747800 11.5114 -12.4455 -6.9887 -11.4132 24.9892 -30.0832 -3.84003 -26.6567 -39.0774 TIMING: 1747800 CPU: 5270.56, 0.0030262/step Wall: 5270.56, 0.0030262/step, 2.73383 hours remaining, 209.617188 MB of memory in use. ENERGY: 1747800 710.8574 2077.5598 1922.1173 107.0304 -206172.5442 17751.9710 0.0000 0.0000 34482.9501 -149120.0583 301.1482 -183603.0084 -149018.5545 300.2125 13.9796 47.2719 556550.8470 -0.7754 -0.8589 PRESSURE: 1748000 0.887028 -44.7995 120.248 -44.8003 -110.423 -39.7628 120.248 -39.7643 -57.744 GPRESSURE: 1748000 -50.3437 -33.008 106.296 -67.5768 -29.1834 -15.1856 156.038 32.049 6.90251 PRESSAVG: 1748000 9.23589 -39.2041 -8.48416 -39.204 37.4978 13.5103 -8.48417 13.5102 -52.5876 GPRESSAVG: 1748000 9.31584 -38.1069 -6.13606 -39.7626 36.8718 16.7069 -8.84337 11.5952 -52.6119 TIMING: 1748000 CPU: 5271.17, 0.00303598/step Wall: 5271.17, 0.00303598/step, 2.7425 hours remaining, 209.617188 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: 1748000 750.8358 2201.9472 1923.2034 122.5536 -205913.6591 17477.7171 0.0000 0.0000 34187.0459 -149250.3561 298.5640 -183437.4020 -149156.3573 299.7608 -55.7600 -24.2082 556466.7166 -1.9513 -2.1414 PRESSURE: 1748200 38.8165 -67.4164 -24.3209 -67.4172 -18.0726 -97.5005 -24.3206 -97.5012 -74.26 GPRESSURE: 1748200 86.449 -88.7613 -72.2303 -86.1996 2.24666 -124.245 67.5016 -80.4146 -31.0902 PRESSAVG: 1748200 52.2903 67.4978 37.1647 67.4978 -81.7439 -5.30737 37.1647 -5.30729 26.8692 GPRESSAVG: 1748200 53.4556 68.0795 34.8566 67.258 -82.4001 -6.06977 39.4366 -5.32359 25.7316 TIMING: 1748200 CPU: 5271.77, 0.00303297/step Wall: 5271.77, 0.00303297/step, 2.73962 hours remaining, 209.617188 MB of memory in use. ENERGY: 1748200 757.8120 2121.3230 1919.8721 125.9906 -206358.5239 17782.2803 0.0000 0.0000 34308.2524 -149342.9935 299.6225 -183651.2458 -149250.6028 299.3089 -17.8387 19.2018 556284.8797 -0.8615 -1.0710 LDB: ============= START OF LOAD BALANCING ============== 5275.29 LDB: ============== END OF LOAD BALANCING =============== 5275.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5275.29 LDB: ============= START OF LOAD BALANCING ============== 5275.59 LDB: Largest compute 4800 load 0.031142 is 26.4% of average load 0.117963 LDB: Average compute 0.001727 is 1.5% of average load 0.117963 LDB: TIME 5275.59 LOAD: AVG 0.117963 MAX 0.21402 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.648 MB LDB: TIME 5275.59 LOAD: AVG 0.117963 MAX 0.21402 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.648 MB LDB: TIME 5275.59 LOAD: AVG 0.117963 MAX 0.21402 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.648 MB LDB: ============== END OF LOAD BALANCING =============== 5275.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5275.6 PRESSURE: 1748400 -340.938 -70.0001 -271.394 -70.0005 -67.5662 43.7048 -271.394 43.7054 -286.355 GPRESSURE: 1748400 -265.752 -13.4056 -309.08 -12.3326 -44.5987 39.999 -230.845 42.5624 -295.013 PRESSAVG: 1748400 3.05879 -16.9941 6.81626 -16.9942 -5.17952 17.9317 6.8163 17.9317 39.014 GPRESSAVG: 1748400 1.98044 -18.6667 8.74249 -16.0473 -4.78607 16.6162 5.14587 19.0192 39.7729 TIMING: 1748400 CPU: 5272.38, 0.00305869/step Wall: 5272.38, 0.00305869/step, 2.76267 hours remaining, 206.531250 MB of memory in use. ENERGY: 1748400 786.9689 2141.6459 1921.2143 121.4395 -205898.1005 17447.1811 0.0000 0.0000 34148.6860 -149330.9649 298.2290 -183479.6509 -149233.5302 299.0469 -231.6196 -201.7881 557502.1966 12.2977 12.3224 PRESSURE: 1748600 -63.1937 -1.42973 12.0667 -1.42892 -33.2381 59.2563 12.0677 59.2575 104.693 GPRESSURE: 1748600 -31.8028 16.9496 -23.6986 8.87672 -12.1548 46.6087 7.2776 110.98 133.53 PRESSAVG: 1748600 11.0862 -7.78371 -57.0848 -7.78375 22.6873 -9.54279 -57.0848 -9.54288 -53.6403 GPRESSAVG: 1748600 10.516 -6.24036 -57.8462 -6.86331 22.299 -8.29379 -56.3171 -11.5671 -53.1507 TIMING: 1748600 CPU: 5272.98, 0.00300332/step Wall: 5272.98, 0.00300332/step, 2.7125 hours remaining, 206.789062 MB of memory in use. ENERGY: 1748600 788.2499 2092.5890 1964.1400 123.5331 -206366.8549 17832.9164 0.0000 0.0000 34082.5490 -149482.8775 297.6514 -183565.4265 -149384.7704 298.6559 2.7538 29.8576 557370.9899 -6.6223 -6.7786 PRESSURE: 1748800 134.445 -123.59 112.945 -123.589 -79.4216 -87.2761 112.946 -87.2776 80.9814 GPRESSURE: 1748800 128.356 -68.4987 82.7462 -146.052 18.5315 -35.142 106.48 -39.476 100.759 PRESSAVG: 1748800 41.9724 7.27647 4.53979 7.27658 19.7351 -53.3099 4.53983 -53.3099 -15.6898 GPRESSAVG: 1748800 41.6535 7.83055 5.14642 6.60677 20.5404 -50.765 4.86067 -55.2318 -15.8776 TIMING: 1748800 CPU: 5273.59, 0.00300709/step Wall: 5273.59, 0.00300709/step, 2.71574 hours remaining, 206.847656 MB of memory in use. ENERGY: 1748800 709.0838 2076.3805 1931.3041 127.9859 -206091.1097 17600.7671 0.0000 0.0000 34361.5901 -149283.9981 300.0883 -183645.5882 -149191.9460 299.2920 45.3350 82.5489 556331.5307 15.3392 15.4388 PRESSURE: 1749000 81.1536 44.5241 -41.068 44.5233 99.1249 -24.5621 -41.0681 -24.5619 -23.444 GPRESSURE: 1749000 147.192 36.171 -59.186 -8.6825 110.728 27.1907 -40.7962 -46.1779 1.43226 PRESSAVG: 1749000 -0.454402 -6.1157 -17.8066 -6.11577 14.6743 -4.33922 -17.8067 -4.33929 -16.0007 GPRESSAVG: 1749000 0.24874 -7.03482 -18.7752 -7.01855 13.4982 -6.41522 -18.288 -4.42211 -15.0733 TIMING: 1749000 CPU: 5274.19, 0.00300143/step Wall: 5274.19, 0.00300143/step, 2.71046 hours remaining, 206.847656 MB of memory in use. ENERGY: 1749000 744.1284 2099.2248 1933.8137 112.2726 -206213.1329 17957.3197 0.0000 0.0000 34096.1256 -149270.2482 297.7699 -183366.3737 -149179.9943 298.6436 52.2782 86.4507 557536.3445 -0.5936 -0.4421 PRESSURE: 1749200 -41.0518 -19.0522 -36.0083 -19.0518 -52.7268 6.06139 -36.0086 6.06055 -44.3618 GPRESSURE: 1749200 -62.6093 -17.7346 -32.8954 56.169 34.1851 19.2379 -5.60799 39.983 -11.7577 PRESSAVG: 1749200 13.6872 -2.86532 -47.1151 -2.8653 -2.5489 -1.30299 -47.1151 -1.30283 -22.9747 GPRESSAVG: 1749200 13.6447 -2.23399 -47.1827 -3.17796 -2.16635 -1.80893 -47.8926 0.209518 -24.1004 TIMING: 1749200 CPU: 5274.79, 0.00299805/step Wall: 5274.79, 0.00299805/step, 2.70724 hours remaining, 206.847656 MB of memory in use. ENERGY: 1749200 699.0265 2115.6634 1908.9112 113.8939 -206177.4320 17796.2223 0.0000 0.0000 34390.5354 -149153.1795 300.3411 -183543.7149 -149050.0082 298.9913 -46.0468 -13.3939 557475.8240 -3.9455 -4.2073 PRESSURE: 1749400 -191.293 -122.493 -103.585 -122.492 -275.008 43.5102 -103.587 43.5106 -308.517 GPRESSURE: 1749400 -156.074 -114.922 -128.789 -173.304 -202.315 62.3082 -59.4642 37.7905 -309.97 PRESSAVG: 1749400 29.9307 30.6451 -6.35617 30.6451 -7.50174 -8.12812 -6.35622 -8.12816 -63.9557 GPRESSAVG: 1749400 29.6363 29.9806 -5.18379 28.76 -6.84697 -8.09633 -6.9705 -8.2971 -64.2893 TIMING: 1749400 CPU: 5275.38, 0.00298366/step Wall: 5275.38, 0.00298366/step, 2.69408 hours remaining, 206.847656 MB of memory in use. ENERGY: 1749400 756.9335 2064.7298 1912.0917 126.1110 -206009.1579 17451.0628 0.0000 0.0000 34464.2268 -149234.0024 300.9847 -183698.2291 -149136.0783 299.6560 -258.2729 -222.7863 556624.2781 -13.8422 -13.8333 PRESSURE: 1749600 255.926 43.2748 -155.282 43.2735 36.6348 -101.714 -155.284 -101.715 185.842 GPRESSURE: 1749600 285.713 -1.79542 -201.652 0.844418 66.4994 -62.1904 -152.361 -174.604 219.821 PRESSAVG: 1749600 41.053 -30.9209 11.2416 -30.9209 18.4407 -36.4795 11.2416 -36.4796 -49.0295 GPRESSAVG: 1749600 41.3335 -29.7908 10.6404 -28.0111 17.8011 -35.7529 13.6662 -35.5301 -48.7071 TIMING: 1749600 CPU: 5275.98, 0.00298595/step Wall: 5275.98, 0.00298595/step, 2.69598 hours remaining, 206.847656 MB of memory in use. ENERGY: 1749600 732.1374 2057.3983 1956.5194 110.9061 -206154.5894 17986.7164 0.0000 0.0000 34232.0141 -149078.8978 298.9567 -183310.9119 -148980.6515 299.5039 159.4675 190.6778 557208.8013 3.4881 3.4758 PRESSURE: 1749800 1.41663 -79.5347 85.1061 -79.5371 32.6866 -108.138 85.1072 -108.139 123.091 GPRESSURE: 1749800 12.9884 -40.6961 104.153 -169.096 83.8556 -147.752 48.4613 -83.1354 162.135 PRESSAVG: 1749800 32.548 -27.8825 6.05177 -27.8826 20.3931 -1.45299 6.05166 -1.45284 -58.8962 GPRESSAVG: 1749800 32.2131 -28.882 6.56787 -28.3164 21.3368 -0.877188 5.41652 -0.988731 -59.263 TIMING: 1749800 CPU: 5276.58, 0.00301412/step Wall: 5276.58, 0.00301412/step, 2.72125 hours remaining, 206.847656 MB of memory in use. ENERGY: 1749800 750.4387 2101.1295 1916.1581 107.7764 -206576.5199 18041.4861 0.0000 0.0000 34508.1117 -149151.4194 301.3679 -183659.5311 -149052.5139 300.1748 52.3979 86.3262 556693.5814 -1.9850 -1.9044 PRESSURE: 1750000 10.0898 46.2652 -0.807989 46.2663 -175.414 9.5709 -0.808116 9.56972 -165.555 GPRESSURE: 1750000 53.3884 89.705 16.9633 23.8429 -154.592 38.8227 17.5639 -62.7577 -146.453 PRESSAVG: 1750000 78.3444 -13.3193 35.4833 -13.3193 -68.104 15.3015 35.4833 15.3014 -41.5581 GPRESSAVG: 1750000 78.9306 -12.325 35.0475 -13.0926 -68.9312 16.2893 34.3247 12.983 -41.9511 TIMING: 1750000 CPU: 5277.18, 0.00300922/step Wall: 5277.18, 0.00300922/step, 2.71666 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: 1750000 739.9844 2143.5092 1939.3173 115.7936 -206022.2568 17615.6419 0.0000 0.0000 34234.1537 -149233.8565 298.9754 -183468.0103 -149133.5573 299.5283 -110.2928 -82.5521 558972.0537 -10.4392 -10.6506 PRESSURE: 1750200 110.073 12.0851 -7.31383 12.0855 189.479 -31.5891 -7.31369 -31.5876 213.404 GPRESSURE: 1750200 111.732 -58.2725 -1.10405 -11.9357 226.674 -31.9549 9.85147 -24.8312 274.606 PRESSAVG: 1750200 21.3175 49.1752 18.0603 49.1753 26.5183 26.9818 18.0603 26.9819 -66.837 GPRESSAVG: 1750200 20.2163 49.2084 18.883 48.8513 27.4454 25.5341 16.1748 29.456 -66.429 TIMING: 1750200 CPU: 5277.79, 0.00301988/step Wall: 5277.79, 0.00301988/step, 2.72611 hours remaining, 206.847656 MB of memory in use. ENERGY: 1750200 705.9300 2077.3115 1916.1286 118.6082 -206401.0135 17983.0603 0.0000 0.0000 34431.8975 -149168.0773 300.7023 -183599.9748 -149067.2974 299.6808 170.9856 204.3376 555297.4994 -6.3337 -6.2558 PRESSURE: 1750400 -187.171 71.7243 -22.9173 71.7247 78.8652 48.5618 -22.9173 48.5608 -88.2576 GPRESSURE: 1750400 -156.556 150.214 -62.2821 33.2767 87.28 61.8031 38.673 66.5914 -24.234 PRESSAVG: 1750400 -2.73804 -32.8607 24.5621 -32.8607 8.12252 -10.376 24.5623 -10.3759 4.01472 GPRESSAVG: 1750400 -1.86337 -33.3453 23.3304 -30.2366 7.36818 -10.3442 28.2118 -12.2777 4.22487 TIMING: 1750400 CPU: 5278.39, 0.00301969/step Wall: 5278.39, 0.00301969/step, 2.72577 hours remaining, 206.847656 MB of memory in use. ENERGY: 1750400 739.2011 2128.1320 1920.7270 121.2013 -206318.3815 17799.2237 0.0000 0.0000 34464.3795 -149145.5168 300.9860 -183609.8963 -149046.8285 300.2145 -65.5213 -31.1700 557824.3005 3.1331 3.2432 PRESSURE: 1750600 -214.721 -42.9702 92.3464 -42.9701 -171.796 -72.0678 92.3457 -72.0684 245.071 GPRESSURE: 1750600 -175.778 -29.7281 74.9496 -39.2027 -173.093 32.7849 185.629 -128.72 297.011 PRESSAVG: 1750600 22.0643 45.5563 78.85 45.5564 72.3584 20.3547 78.85 20.3547 -113.484 GPRESSAVG: 1750600 22.2306 45.5624 80.113 43.3897 73.0594 20.3153 75.6472 22.1445 -113.48 TIMING: 1750600 CPU: 5278.99, 0.00298277/step Wall: 5278.99, 0.00298277/step, 2.69228 hours remaining, 206.847656 MB of memory in use. ENERGY: 1750600 721.8782 2066.1680 1923.8711 103.2253 -205781.4068 17522.1508 0.0000 0.0000 34173.4821 -149270.6313 298.4455 -183444.1135 -149180.4401 299.8945 -47.1488 -17.2868 557822.9868 -6.3538 -6.0633 PRESSURE: 1750800 -74.0007 -119.02 -48.1868 -119.019 71.0882 54.9644 -48.1867 54.9642 -164.909 GPRESSURE: 1750800 -74.1874 -56.798 -34.6254 -107.894 127.856 120.48 1.23184 11.1386 -124.052 PRESSAVG: 1750800 31.1721 42.5761 13.2057 42.5761 2.86721 8.03342 13.2057 8.03343 -15.41 GPRESSAVG: 1750800 30.5826 42.5745 13.3427 43.6468 2.78697 9.0281 15.0109 6.76391 -15.163 TIMING: 1750800 CPU: 5279.58, 0.00297978/step Wall: 5279.58, 0.00297978/step, 2.68942 hours remaining, 206.847656 MB of memory in use. ENERGY: 1750800 773.6296 2094.9030 1959.1417 111.8620 -206151.9416 17626.3741 0.0000 0.0000 34181.8422 -149404.1889 298.5185 -183586.0311 -149308.2870 299.1486 -55.9404 -23.4611 555413.8578 6.2098 6.0688 PRESSURE: 1751000 -43.9922 48.3604 53.0747 48.3617 83.7729 115.576 53.0746 115.577 -75.5952 GPRESSURE: 1751000 21.4023 43.6288 -41.0492 73.4099 151.154 211.053 114.742 72.7375 -112.438 PRESSAVG: 1751000 4.95868 65.5881 0.558741 65.588 47.3917 24.631 0.558818 24.6309 -54.8952 GPRESSAVG: 1751000 3.35616 65.9835 0.914173 64.1733 48.1048 24.2201 -1.6006 26.2491 -54.5447 TIMING: 1751000 CPU: 5280.18, 0.00299932/step Wall: 5280.18, 0.00299932/step, 2.70688 hours remaining, 206.847656 MB of memory in use. ENERGY: 1751000 761.3525 2115.8371 1901.7109 116.4249 -206870.8809 17923.6642 0.0000 0.0000 34476.3891 -149575.5023 301.0909 -184051.8914 -149475.8523 299.0373 -11.9382 20.0395 556092.3097 -0.8483 -1.0279 PRESSURE: 1751200 90.2795 -145.761 -68.9705 -145.762 140.054 96.9544 -68.9695 96.9552 157.475 GPRESSURE: 1751200 63.157 -178.941 -5.4143 -62.9001 170.092 93.435 -114.545 86.147 227.795 PRESSAVG: 1751200 1.00976 0.0700735 -36.2075 0.0700234 45.4765 26.4867 -36.2076 26.4866 -25.443 GPRESSAVG: 1751200 1.26545 -0.105828 -36.9416 0.170698 44.8739 25.791 -34.6103 24.3572 -25.4964 TIMING: 1751200 CPU: 5280.79, 0.00300908/step Wall: 5280.79, 0.00300908/step, 2.71553 hours remaining, 206.898438 MB of memory in use. ENERGY: 1751200 742.4978 2085.2945 1902.7586 104.6855 -206252.7686 17891.3548 0.0000 0.0000 34131.2218 -149394.9555 298.0764 -183526.1773 -149293.9422 298.6338 129.2695 153.6813 556228.8939 7.0144 6.8810 PRESSURE: 1751400 94.1452 -29.793 39.5304 -29.7932 70.9118 -2.93509 39.5316 -2.93532 -175.194 GPRESSURE: 1751400 129.856 -3.24609 -15.894 -82.1332 83.4098 -28.0096 66.9999 -3.48638 -119.937 PRESSAVG: 1751400 -19.1304 -10.2117 -11.8354 -10.2117 40.4 -2.95123 -11.8354 -2.95119 -25.9947 GPRESSAVG: 1751400 -17.7655 -9.75978 -10.7123 -11.8761 39.6136 -4.48915 -13.4405 -0.302919 -26.4488 TIMING: 1751400 CPU: 5281.38, 0.00298118/step Wall: 5281.38, 0.00298118/step, 2.69019 hours remaining, 206.898438 MB of memory in use. ENERGY: 1751400 749.7091 2088.6345 1934.9873 98.5618 -206631.9723 17990.8446 0.0000 0.0000 34469.1320 -149300.1030 301.0275 -183769.2350 -149201.8733 299.3206 -3.3790 31.1096 556687.1808 -1.5750 -1.5336 PRESSURE: 1751600 75.4204 -95.7604 -46.5338 -95.7602 -115.171 141.384 -46.5338 141.386 9.95903 GPRESSURE: 1751600 85.9305 -17.3992 -138.174 -69.5217 -59.4588 108.387 -34.6372 128.344 39.6826 PRESSAVG: 1751600 19.9653 1.7346 -30.0659 1.73462 -31.8032 9.57953 -30.0659 9.57944 -5.21001 GPRESSAVG: 1751600 19.1765 2.05635 -30.3763 4.59122 -30.6312 9.99898 -28.5431 7.6448 -5.05896 TIMING: 1751600 CPU: 5281.98, 0.0030126/step Wall: 5281.98, 0.0030126/step, 2.71837 hours remaining, 206.898438 MB of memory in use. ENERGY: 1751600 785.4346 2069.5031 1926.3300 107.9699 -206324.0040 17988.1440 0.0000 0.0000 34387.6440 -149058.9785 300.3158 -183446.6225 -148964.0259 299.0466 -9.9306 22.0514 558082.8195 -5.6826 -5.5045 PRESSURE: 1751800 -57.5111 106.215 -5.81126 106.214 -5.47389 73.3847 -5.81141 73.3857 -43.9664 GPRESSURE: 1751800 26.0518 131.212 -16.8153 65.4996 -27.686 65.7596 6.93406 18.2703 -19.0608 PRESSAVG: 1751800 22.2154 37.692 -17.2622 37.692 33.3418 -2.36516 -17.2621 -2.36516 -18.986 GPRESSAVG: 1751800 23.123 38.5747 -18.4635 36.127 33.4178 -1.94406 -15.8517 -2.93635 -19.8559 TIMING: 1751800 CPU: 5282.59, 0.00300458/step Wall: 5282.59, 0.00300458/step, 2.71096 hours remaining, 206.898438 MB of memory in use. ENERGY: 1751800 713.3953 2145.9663 1941.1120 118.6873 -206030.8963 17679.3820 0.0000 0.0000 34421.0806 -149011.2729 300.6079 -183432.3535 -148909.4286 299.6119 -35.6505 -6.8983 557832.6069 12.1904 12.2283 PRESSURE: 1752000 263.581 -53.0644 -77.8252 -53.0629 16.237 3.99967 -77.8253 3.99806 -218.725 GPRESSURE: 1752000 234.237 -102.355 -92.775 -28.3144 21.1824 63.3451 -51.3318 -67.0889 -102.688 PRESSAVG: 1752000 7.57705 61.1183 23.6541 61.1184 15.574 -38.3014 23.6542 -38.3015 -28.0634 GPRESSAVG: 1752000 6.30673 57.3497 26.1574 62.5339 15.1619 -36.5467 21.6171 -39.3903 -26.5524 TIMING: 1752000 CPU: 5283.19, 0.00300128/step Wall: 5283.19, 0.00300128/step, 2.70782 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: 1752000 786.7080 2089.8870 1905.2506 106.8846 -205701.7662 17545.4207 0.0000 0.0000 34231.5143 -149036.1010 298.9523 -183267.6153 -148939.9385 299.7035 20.3644 50.9106 557922.6936 -1.6375 -1.6946 PRESSURE: 1752200 243.041 133.93 -140.815 133.932 -87.05 142.964 -140.816 142.963 275.972 GPRESSURE: 1752200 227.515 83.4225 -120.869 156.924 6.4792 205.208 -158.322 139.256 296.45 PRESSAVG: 1752200 -40.4765 25.7532 -5.65453 25.7532 2.39541 38.5961 -5.65469 38.5961 41.8469 GPRESSAVG: 1752200 -40.6166 27.7826 -6.40359 24.7707 2.83135 36.0717 -4.69272 40.2222 41.3467 TIMING: 1752200 CPU: 5283.79, 0.003005/step Wall: 5283.79, 0.003005/step, 2.71102 hours remaining, 206.898438 MB of memory in use. ENERGY: 1752200 728.1666 2127.3325 1933.6490 111.6929 -206350.8266 18022.6115 0.0000 0.0000 34274.5695 -149152.8047 299.3283 -183427.3742 -149052.5400 299.7150 143.9878 176.8145 557501.7739 1.2552 1.1872 LDB: ============= START OF LOAD BALANCING ============== 5287.3 LDB: ============== END OF LOAD BALANCING =============== 5287.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5287.3 LDB: ============= START OF LOAD BALANCING ============== 5287.6 LDB: Largest compute 4800 load 0.031627 is 26.8% of average load 0.117994 LDB: Average compute 0.001734 is 1.5% of average load 0.117994 LDB: TIME 5287.6 LOAD: AVG 0.117994 MAX 0.207957 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.844 MB LDB: TIME 5287.6 LOAD: AVG 0.117994 MAX 0.207957 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.047 MB LDB: TIME 5287.6 LOAD: AVG 0.117994 MAX 0.207957 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.047 MB LDB: ============== END OF LOAD BALANCING =============== 5287.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5287.61 PRESSURE: 1752400 -310.338 125.709 -39.9058 125.71 75.5345 66.5394 -39.9062 66.5419 -374.936 GPRESSURE: 1752400 -219.189 103.33 -12.8512 163.052 79.5747 194.054 -86.173 -84.5717 -369.169 PRESSAVG: 1752400 -29.1483 4.75194 20.4305 4.75187 68.5107 16.9319 20.4304 16.9317 -36.0734 GPRESSAVG: 1752400 -27.6875 2.05038 19.575 5.82497 68.5077 18.609 21.2632 17.0261 -37.1883 TIMING: 1752400 CPU: 5284.39, 0.00303638/step Wall: 5284.39, 0.00303638/step, 2.73916 hours remaining, 209.226562 MB of memory in use. ENERGY: 1752400 741.6482 2121.7229 1942.9116 112.7860 -205920.9948 17491.4839 0.0000 0.0000 34349.5991 -149160.8432 299.9836 -183510.4422 -149071.6831 299.7763 -203.2466 -169.5945 559180.1728 1.0963 1.2106 PRESSURE: 1752600 -308.354 80.2231 -173.49 80.2238 131.257 88.7805 -173.491 88.7813 -45.5672 GPRESSURE: 1752600 -218.049 66.717 -153.215 137.054 171.798 145.573 -239.276 69.5123 -73.9691 PRESSAVG: 1752600 -60.4149 -29.8272 -66.3821 -29.8272 1.32387 28.0787 -66.382 28.0788 -23.206 GPRESSAVG: 1752600 -61.4373 -26.6718 -64.9327 -30.1187 0.577697 28.8349 -67.3283 26.3514 -21.7113 TIMING: 1752600 CPU: 5284.99, 0.00299176/step Wall: 5284.99, 0.00299176/step, 2.69873 hours remaining, 209.746094 MB of memory in use. ENERGY: 1752600 756.0823 2046.5745 1934.4745 108.6021 -206242.0163 17792.8608 0.0000 0.0000 34383.7290 -149219.6931 300.2817 -183603.4221 -149127.1616 299.2891 -74.2212 -40.0734 558252.9808 -27.4323 -27.5236 PRESSURE: 1752800 -119.802 103.215 111.786 103.215 161.355 -27.7647 111.786 -27.7643 -322.775 GPRESSURE: 1752800 -73.3539 24.2701 151.494 77.7241 184.168 -87.3737 48.1682 42.0785 -308.3 PRESSAVG: 1752800 10.3123 -21.0044 -36.0716 -21.0043 34.6297 43.538 -36.0716 43.5382 -35.7774 GPRESSAVG: 1752800 10.3938 -23.1113 -36.1938 -19.7559 35.1074 42.2051 -37.6018 45.1848 -35.4845 TIMING: 1752800 CPU: 5285.59, 0.00299452/step Wall: 5285.59, 0.00299452/step, 2.70106 hours remaining, 209.746094 MB of memory in use. ENERGY: 1752800 716.1870 2127.1752 1947.2873 105.1568 -206254.0461 17832.1071 0.0000 0.0000 34202.8138 -149323.3189 298.7017 -183526.1327 -149231.5319 299.0965 -93.7410 -65.8286 558844.5455 3.0549 3.3389 PRESSURE: 1753000 10.9431 -68.5956 45.6511 -68.5942 24.5414 10.1376 45.6511 10.1356 -118.182 GPRESSURE: 1753000 -33.2815 -32.3014 165.082 -51.2932 131.362 -54.863 -18.0033 -15.7436 -84.9757 PRESSAVG: 1753000 16.3484 5.86134 -5.99936 5.86136 10.1722 -16.4107 -5.99933 -16.4108 -15.9905 GPRESSAVG: 1753000 16.2618 8.06602 -7.11742 4.94676 9.88884 -15.4922 -4.3339 -16.6728 -15.4384 TIMING: 1753000 CPU: 5286.19, 0.00300506/step Wall: 5286.19, 0.00300506/step, 2.71039 hours remaining, 209.746094 MB of memory in use. ENERGY: 1753000 730.2729 2106.5999 1914.1946 114.0680 -206567.8992 17951.1348 0.0000 0.0000 34529.5943 -149222.0347 301.5555 -183751.6290 -149127.7409 299.1283 -27.5659 4.3683 557164.1252 3.5100 3.5707 PRESSURE: 1753200 -51.7626 -38.6048 -50.5175 -38.605 125.895 120.63 -50.5174 120.63 163.742 GPRESSURE: 1753200 56.1222 -87.4356 -87.55 -87.0481 118.98 108.243 -17.644 183.12 151.08 PRESSAVG: 1753200 -13.2306 -9.82468 9.70531 -9.82468 8.24671 31.9453 9.70539 31.9454 -43.1034 GPRESSAVG: 1753200 -14.231 -10.2912 9.56368 -11.2404 9.63952 29.0509 8.63658 33.5681 -43.2889 TIMING: 1753200 CPU: 5286.79, 0.00300943/step Wall: 5286.79, 0.00300943/step, 2.71417 hours remaining, 209.746094 MB of memory in use. ENERGY: 1753200 731.6100 2141.1568 1920.0906 112.4667 -206470.3841 17886.9463 0.0000 0.0000 34381.0226 -149297.0911 300.2580 -183678.1137 -149199.9466 299.2332 79.2912 108.7273 557504.5620 -16.0291 -15.9601 PRESSURE: 1753400 -323.166 -53.3353 87.9318 -53.3357 -59.1575 -266.834 87.9316 -266.834 -153.871 GPRESSURE: 1753400 -298.575 42.3362 45.4969 -119.448 -58.5733 -287.749 169.956 -268.346 -85.1721 PRESSAVG: 1753400 81.2386 -2.24214 56.9446 -2.24219 -17.7482 15.1639 56.9447 15.1641 -7.70371 GPRESSAVG: 1753400 81.8484 -3.03003 57.3742 -0.130259 -18.6647 17.441 56.5722 13.1102 -7.4953 TIMING: 1753400 CPU: 5287.39, 0.00298339/step Wall: 5287.39, 0.00298339/step, 2.69052 hours remaining, 209.746094 MB of memory in use. ENERGY: 1753400 742.4553 2131.6215 1944.2408 123.0197 -205852.2712 17413.1300 0.0000 0.0000 34357.1767 -149140.6272 300.0498 -183497.8039 -149049.5937 299.5141 -178.7314 -147.4401 558122.9139 18.5956 18.5628 PRESSURE: 1753600 -84.4454 -46.8097 -29.3865 -46.8106 24.1873 100.563 -29.3869 100.563 -106.928 GPRESSURE: 1753600 12.6135 -109.797 42.4059 -36.6902 33.386 83.7918 -27.358 127.222 -105.719 PRESSAVG: 1753600 6.46783 90.7428 29.5061 90.7428 22.1125 -21.3791 29.5061 -21.3791 4.19102 GPRESSAVG: 1753600 7.55066 91.9517 28.9138 88.524 20.8571 -23.4228 29.4927 -19.8949 4.11475 TIMING: 1753600 CPU: 5287.99, 0.00298895/step Wall: 5287.99, 0.00298895/step, 2.69537 hours remaining, 209.746094 MB of memory in use. ENERGY: 1753600 746.4316 2146.6978 1891.1546 108.9755 -206361.1492 17782.9717 0.0000 0.0000 34220.9433 -149463.9746 298.8600 -183684.9179 -149371.6993 298.7894 -55.7287 -19.9066 557121.9947 10.9238 10.8408 PRESSURE: 1753800 -200.487 -38.9634 -18.068 -38.9623 -132.347 -45.2101 -18.0686 -45.2106 -308.877 GPRESSURE: 1753800 -164.395 11.1542 17.7423 -67.159 -104.974 -29.4182 -83.0522 -52.0499 -284.256 PRESSAVG: 1753800 -45.5949 61.5529 -22.2151 61.553 28.9598 43.3979 -22.2151 43.398 2.093 GPRESSAVG: 1753800 -46.2658 58.56 -24.2708 64.5774 30.2278 44.9389 -19.7457 40.471 1.13871 TIMING: 1753800 CPU: 5288.58, 0.00297192/step Wall: 5288.58, 0.00297192/step, 2.67984 hours remaining, 209.746094 MB of memory in use. ENERGY: 1753800 759.4706 2064.6375 1914.4982 112.8235 -205860.6872 17474.6663 0.0000 0.0000 34181.6048 -149352.9863 298.5165 -183534.5911 -149251.7061 299.2509 -213.9038 -184.5417 557448.2750 -4.8474 -4.9664 PRESSURE: 1754000 -21.1756 9.1466 203.956 9.14627 -143.589 -143.772 203.955 -143.773 94.6265 GPRESSURE: 1754000 57.4129 -13.5079 224 14.1853 -154.26 -88.6534 165.064 -107.592 119.954 PRESSAVG: 1754000 -10.4952 23.667 55.8217 23.667 -16.295 30.5147 55.8217 30.5147 -1.02067 GPRESSAVG: 1754000 -9.70595 25.8839 59.6458 22.0711 -16.9768 30.576 53.0439 33.327 -1.42853 TIMING: 1754000 CPU: 5289.18, 0.00298557/step Wall: 5289.18, 0.00298557/step, 2.69198 hours remaining, 209.746094 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: 1754000 722.8632 2039.7071 1916.2083 128.7797 -206112.9445 17802.5911 0.0000 0.0000 34316.6862 -149186.1088 299.6962 -183502.7950 -149085.1430 298.9524 -23.3793 7.7024 556732.4814 -9.2703 -9.3704 PRESSURE: 1754200 -132.012 51.0891 140.952 51.0896 -332.833 -102.238 140.951 -102.239 -46.2429 GPRESSURE: 1754200 -88.7607 23.9276 59.411 56.4042 -283.082 -82.423 139.132 -99.8016 -43.0547 PRESSAVG: 1754200 13.3879 -30.9764 59.2373 -30.9764 -29.1024 -1.87821 59.2373 -1.87825 55.1578 GPRESSAVG: 1754200 12.4173 -30.4826 56.9423 -31.529 -28.8977 -1.48227 61.0527 -2.42097 55.4644 TIMING: 1754200 CPU: 5289.78, 0.00298989/step Wall: 5289.78, 0.00298989/step, 2.69572 hours remaining, 209.746094 MB of memory in use. ENERGY: 1754200 747.1534 2130.4934 1922.6568 112.1525 -205894.7945 17518.9132 0.0000 0.0000 34311.0849 -149152.3403 299.6472 -183463.4252 -149051.8568 300.3804 -170.3626 -138.2990 558029.0865 13.1478 12.9947 PRESSURE: 1754400 -187.375 -141.653 -68.6854 -141.653 -200.323 -38.8981 -68.6847 -38.8987 -177.098 GPRESSURE: 1754400 -198.325 -150.93 -88.9731 -138.76 -143.756 -32.7144 -35.8933 -39.2467 -104.658 PRESSAVG: 1754400 68.6022 8.86954 63.7794 8.86955 -85.0224 -20.5715 63.7794 -20.5715 -9.08238 GPRESSAVG: 1754400 67.5245 7.53847 63.6695 9.73626 -84.0214 -21.1595 64.6173 -20.4573 -8.19267 TIMING: 1754400 CPU: 5290.38, 0.00299562/step Wall: 5290.38, 0.00299562/step, 2.70072 hours remaining, 209.746094 MB of memory in use. ENERGY: 1754400 753.6862 2076.8664 1924.0060 117.2525 -205780.9714 17625.4420 0.0000 0.0000 34336.1820 -148947.5363 299.8664 -183283.7182 -148846.5665 300.5440 -188.2653 -148.9133 560167.3698 -8.5009 -8.2298 PRESSURE: 1754600 -50.205 78.8797 -33.0445 78.8799 -299.694 -155.395 -33.0441 -155.393 -25.787 GPRESSURE: 1754600 -0.326444 104.014 -33.1569 63.5787 -364.835 -234.426 -59.2212 -64.4392 83.0097 PRESSAVG: 1754600 -1.03165 -16.7018 -25.2679 -16.7018 -24.8554 27.7754 -25.268 27.7753 28.6055 GPRESSAVG: 1754600 -1.23038 -16.2555 -24.2427 -18.448 -26.1948 28.8873 -26.9207 28.3339 29.753 TIMING: 1754600 CPU: 5290.98, 0.00300046/step Wall: 5290.98, 0.00300046/step, 2.70492 hours remaining, 209.746094 MB of memory in use. ENERGY: 1754600 767.5624 2127.2450 1953.0384 111.9921 -205954.3145 17701.9955 0.0000 0.0000 34197.9158 -149094.5653 298.6589 -183292.4812 -149002.6099 299.2918 -125.2288 -94.0506 557628.4491 0.9061 0.7759 PRESSURE: 1754800 41.7354 -15.6523 46.5189 -15.653 -190.513 156.228 46.5186 156.228 -210.78 GPRESSURE: 1754800 64.7792 -21.4034 130.572 66.2337 -165.571 106.643 -3.50721 124.237 -159.413 PRESSAVG: 1754800 33.6528 41.0429 -15.5127 41.0429 -27.4068 -21.7373 -15.5127 -21.7374 -15.692 GPRESSAVG: 1754800 36.3064 41.0984 -17.3202 41.1676 -27.0507 -23.0485 -13.7974 -22.7672 -18.8669 TIMING: 1754800 CPU: 5291.58, 0.00301663/step Wall: 5291.58, 0.00301663/step, 2.71933 hours remaining, 209.746094 MB of memory in use. ENERGY: 1754800 777.6453 2028.1799 1941.0384 120.4753 -205579.6091 17554.1927 0.0000 0.0000 34114.1977 -149043.8798 297.9278 -183158.0775 -148947.2461 299.8439 -119.8527 -86.7351 558700.9654 -3.1486 -3.2038 PRESSURE: 1755000 -369.362 34.2665 -21.5347 34.2652 -41.8745 -71.18 -21.5347 -71.1811 -334.784 GPRESSURE: 1755000 -347.416 -6.27994 -35.2851 51.5521 -22.4767 -14.7493 50.234 -62.1655 -263.325 PRESSAVG: 1755000 -1.73075 -0.440444 15.795 -0.440323 -10.3406 -21.3934 15.795 -21.3935 -4.71959 GPRESSAVG: 1755000 -3.00846 -0.612245 17.1957 -1.76333 -10.2895 -20.6161 14.5063 -20.6021 -3.45913 TIMING: 1755000 CPU: 5292.18, 0.00301669/step Wall: 5292.18, 0.00301669/step, 2.71921 hours remaining, 209.746094 MB of memory in use. ENERGY: 1755000 723.0602 2154.9335 1929.9421 103.1969 -205811.7111 17450.5015 0.0000 0.0000 34276.5557 -149173.5212 299.3457 -183450.0769 -149073.9429 299.8778 -248.6732 -211.0726 558743.8274 -5.5970 -5.5857 PRESSURE: 1755200 50.6307 58.603 -94.7679 58.6027 150.249 176.762 -94.7677 176.762 494.937 GPRESSURE: 1755200 129.969 13.638 -83.0831 55.4711 151.235 128.717 -164.524 129.405 520.198 PRESSAVG: 1755200 -18.1236 18.859 -13.7947 18.8591 0.325536 -35.5705 -13.7948 -35.5705 -14.0538 GPRESSAVG: 1755200 -18.5264 21.3473 -14.1284 17.8028 0.448546 -35.686 -12.6582 -37.6195 -14.1618 TIMING: 1755200 CPU: 5292.79, 0.00302703/step Wall: 5292.79, 0.00302703/step, 2.72836 hours remaining, 209.746094 MB of memory in use. ENERGY: 1755200 725.9351 2099.0379 1912.3383 111.9571 -206554.0447 18117.4936 0.0000 0.0000 34272.2946 -149314.9880 299.3085 -183587.2826 -149218.6308 299.1809 231.9388 267.1342 556209.5881 -10.6173 -10.7465 PRESSURE: 1755400 186.753 0.172399 9.6003 0.172506 54.4916 7.54901 9.59906 7.54957 -330.303 GPRESSURE: 1755400 152.525 -10.3603 -30.1547 -52.872 114.452 -30.2641 -40.8535 16.9719 -261.711 PRESSAVG: 1755400 -27.619 -38.2825 -21.728 -38.2824 -61.2921 21.2397 -21.7281 21.2397 55.8868 GPRESSAVG: 1755400 -27.2974 -40.6044 -22.0151 -36.7981 -61.3635 21.9645 -21.7437 23.1161 55.4961 TIMING: 1755400 CPU: 5293.4, 0.00304948/step Wall: 5293.4, 0.00304948/step, 2.74842 hours remaining, 209.746094 MB of memory in use. ENERGY: 1755400 720.6579 2140.5341 1938.9994 124.9115 -206353.3272 17687.3587 0.0000 0.0000 34192.4801 -149548.3854 298.6114 -183740.8656 -149455.8428 299.3761 -29.6860 1.7554 556849.7002 -11.0081 -11.0549 PRESSURE: 1755600 -45.2979 -21.5088 -31.8928 -21.5086 -163.983 99.8564 -31.8935 99.8571 138.459 GPRESSURE: 1755600 74.2269 -41.7315 3.60879 38.727 -169.359 91.9052 -34.4624 147.713 130.201 PRESSAVG: 1755600 -6.44687 -3.44792 -15.6966 -3.44793 -1.07904 49.7965 -15.6966 49.7965 18.7427 GPRESSAVG: 1755600 -6.78522 -2.78271 -15.699 -3.90781 -1.78043 46.0667 -16.4721 50.2554 19.5785 TIMING: 1755600 CPU: 5294, 0.00301706/step Wall: 5294, 0.00301706/step, 2.71905 hours remaining, 209.746094 MB of memory in use. ENERGY: 1755600 700.1686 2106.8096 1916.3058 119.6731 -206287.0503 17725.7846 0.0000 0.0000 34091.8186 -149626.4901 297.7323 -183718.3087 -149530.0886 298.4620 -23.6074 11.6897 558134.2257 3.7389 3.6710 PRESSURE: 1755800 -144.179 -206.562 -107.61 -206.562 -286.639 11.0052 -107.611 11.0042 -133.16 GPRESSURE: 1755800 -143.763 -197.791 -22.2095 -230.882 -226.88 69.7484 -81.8414 -2.18301 -88.1927 PRESSAVG: 1755800 27.4895 -70.5111 -63.2138 -70.5111 -55.5751 30.6598 -63.2138 30.6597 46.3666 GPRESSAVG: 1755800 27.7503 -70.923 -63.269 -69.308 -53.8639 31.3372 -62.9595 29.7991 44.3083 TIMING: 1755800 CPU: 5294.6, 0.00299898/step Wall: 5294.6, 0.00299898/step, 2.70258 hours remaining, 209.746094 MB of memory in use. ENERGY: 1755800 767.7667 2073.6702 1924.1540 115.3422 -206122.4572 17500.2356 0.0000 0.0000 34119.4814 -149621.8071 297.9739 -183741.2884 -149525.4930 298.5064 -187.9924 -152.9450 558294.6169 6.0937 6.0649 PRESSURE: 1756000 281.763 93.0669 -69.5761 93.0682 265.693 -110.38 -69.5756 -110.379 15.8695 GPRESSURE: 1756000 280.923 144.389 -6.52172 57.661 288.21 -160.877 -71.9711 -65.3982 100.216 PRESSAVG: 1756000 20.7191 -2.66589 -8.2259 -2.66579 -64.5137 -2.50996 -8.22578 -2.50999 40.3853 GPRESSAVG: 1756000 20.4496 -2.11896 -8.87753 -2.32892 -66.2757 -1.63945 -8.45875 -2.97418 42.3553 TIMING: 1756000 CPU: 5295.2, 0.00300268/step Wall: 5295.2, 0.00300268/step, 2.70575 hours remaining, 209.746094 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: 1756000 716.9289 2077.9635 1946.5205 105.8160 -206786.6623 18150.4994 0.0000 0.0000 34398.1923 -149390.7417 300.4080 -183788.9340 -149294.5344 298.7795 187.7755 223.1161 557870.1538 -1.1364 -1.1570 PRESSURE: 1756200 -88.2983 54.1199 70.4181 54.12 -318.716 33.1601 70.4189 33.1602 -157.898 GPRESSURE: 1756200 -94.9442 187.611 -5.18677 9.28656 -278.163 51.3549 125.484 58.5156 -95.1359 PRESSAVG: 1756200 1.11794 68.5559 41.8199 68.5559 -14.2295 23.4725 41.8198 23.4724 16.4349 GPRESSAVG: 1756200 2.2543 69.3715 42.172 67.9523 -14.8756 22.3759 43.0524 22.8091 15.0402 TIMING: 1756200 CPU: 5295.8, 0.00300484/step Wall: 5295.8, 0.00300484/step, 2.70752 hours remaining, 209.746094 MB of memory in use. ENERGY: 1756200 748.5815 2101.1703 1930.0193 106.6271 -206015.7813 17423.0795 0.0000 0.0000 34134.1418 -149572.1617 298.1020 -183706.3035 -149473.1430 298.7223 -188.3042 -156.0810 557655.5463 1.1078 0.8063 LDB: ============= START OF LOAD BALANCING ============== 5299.32 LDB: ============== END OF LOAD BALANCING =============== 5299.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5299.32 LDB: ============= START OF LOAD BALANCING ============== 5299.62 LDB: Largest compute 4800 load 0.031306 is 26.5% of average load 0.117948 LDB: Average compute 0.001728 is 1.5% of average load 0.117948 LDB: TIME 5299.63 LOAD: AVG 0.117948 MAX 0.212308 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.555 MB LDB: TIME 5299.63 LOAD: AVG 0.117948 MAX 0.212308 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.625 MB LDB: TIME 5299.63 LOAD: AVG 0.117948 MAX 0.212308 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.625 MB LDB: ============== END OF LOAD BALANCING =============== 5299.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5299.63 PRESSURE: 1756400 53.7304 -48.9229 -48.2905 -48.923 -60.804 -35.2063 -48.2911 -35.2052 68.3205 GPRESSURE: 1756400 126.126 -32.2876 -48.9122 -28.5566 -83.8776 0.351424 59.3108 38.772 97.6609 PRESSAVG: 1756400 -35.4527 10.7522 -10.1008 10.7522 -26.2546 -32.1915 -10.1008 -32.1915 22.2393 GPRESSAVG: 1756400 -36.1259 11.0609 -10.3011 10.5498 -25.7575 -29.9047 -11.6542 -31.0438 22.4111 TIMING: 1756400 CPU: 5296.42, 0.00306319/step Wall: 5296.42, 0.00306319/step, 2.75993 hours remaining, 209.550781 MB of memory in use. ENERGY: 1756400 716.0652 2097.7416 1948.0486 113.9012 -206110.7373 17585.2543 0.0000 0.0000 34081.3529 -149568.3735 297.6409 -183649.7264 -149475.9777 298.5077 20.4157 46.6365 556842.4320 -13.1560 -13.1574 PRESSURE: 1756600 84.0127 88.75 -41.0662 88.7498 28.1081 15.6696 -41.0652 15.6691 104.831 GPRESSURE: 1756600 131.594 -0.96298 -4.64514 223.366 64.0758 -13.3233 -37.0598 80.4642 127.698 PRESSAVG: 1756600 41.0159 18.1974 -35.7048 18.1974 7.13704 33.9423 -35.7048 33.9424 2.14233 GPRESSAVG: 1756600 39.646 20.1549 -35.1712 18.5871 8.6739 33.2307 -36.865 33.1135 2.37055 TIMING: 1756600 CPU: 5297.02, 0.00303012/step Wall: 5297.02, 0.00303012/step, 2.72997 hours remaining, 209.621094 MB of memory in use. ENERGY: 1756600 716.0879 2123.8104 1923.2161 116.8416 -206591.7737 17872.2688 0.0000 0.0000 34273.2875 -149566.2614 299.3171 -183839.5489 -149478.2816 298.6831 72.3173 107.7894 555323.0502 16.7651 16.8968 PRESSURE: 1756800 46.6305 -61.7016 10.0955 -61.7025 -120.213 140.877 10.0954 140.876 139.92 GPRESSURE: 1756800 37.8505 -38.9759 30.7134 -97.2934 -69.6928 125.041 -3.50512 88.5414 199.538 PRESSAVG: 1756800 -57.068 -45.365 -22.2759 -45.3649 -60.6555 32.2356 -22.2758 32.2356 69.1178 GPRESSAVG: 1756800 -56.003 -47.1526 -21.1896 -46.3886 -62.4354 31.0143 -19.2185 31.7879 69.2732 TIMING: 1756800 CPU: 5297.62, 0.00300408/step Wall: 5297.62, 0.00300408/step, 2.70634 hours remaining, 209.621094 MB of memory in use. ENERGY: 1756800 723.4410 2136.7555 1927.8761 117.3401 -206167.1564 17647.7108 0.0000 0.0000 34253.2028 -149360.8301 299.1417 -183614.0329 -149269.1179 297.9693 22.1125 55.8986 555825.7968 -16.2019 -16.3884 PRESSURE: 1757000 -265.816 -56.4176 124.842 -56.4193 -179.985 -8.34795 124.841 -8.34715 -108.418 GPRESSURE: 1757000 -261.648 -34.3665 96.2396 -76.7055 -148.277 19.5049 110.194 -105.852 -54.4049 PRESSAVG: 1757000 -79.7801 51.4934 16.6386 51.4935 9.97202 -3.84693 16.6385 -3.84702 16.2099 GPRESSAVG: 1757000 -79.1971 50.644 17.6402 52.0455 10.1517 -4.30977 14.6116 -2.75855 15.6407 TIMING: 1757000 CPU: 5298.23, 0.0030188/step Wall: 5298.23, 0.0030188/step, 2.71944 hours remaining, 209.621094 MB of memory in use. ENERGY: 1757000 747.1075 2033.8253 1927.9494 101.3548 -205752.9559 17530.5670 0.0000 0.0000 34100.4893 -149311.6626 297.8081 -183412.1519 -149216.7800 298.5484 -184.7397 -154.7765 558478.0886 -17.8661 -17.8016 PRESSURE: 1757200 -285.74 10.9978 72.4699 10.9968 -324.455 -157.703 72.4702 -157.703 -112.838 GPRESSURE: 1757200 -259.328 -76.2714 64.084 29.4539 -327.872 -186.442 93.7815 -147.273 -36.462 PRESSAVG: 1757200 -12.0572 -13.0104 40.7592 -13.0104 -34.9307 -25.6121 40.7592 -25.612 52.7007 GPRESSAVG: 1757200 -13.0498 -12.0203 36.554 -13.5043 -34.1542 -24.8212 42.3379 -26.2683 52.6797 TIMING: 1757200 CPU: 5298.83, 0.00301272/step Wall: 5298.83, 0.00301272/step, 2.71379 hours remaining, 209.621094 MB of memory in use. ENERGY: 1757200 753.9703 2085.0230 1904.6545 104.7112 -205785.9878 17451.4857 0.0000 0.0000 34141.8763 -149344.2667 298.1695 -183486.1431 -149249.7433 298.8985 -241.0108 -207.8875 557799.5867 1.9042 1.8252 PRESSURE: 1757400 5.13122 139.414 -11.3279 139.414 94.7347 14.1547 -11.3276 14.1529 -109.655 GPRESSURE: 1757400 47.1185 151.772 -12.9503 141.904 62.9587 60.1222 -19.2155 29.9599 -25.7916 PRESSAVG: 1757400 -91.1538 27.3886 -16.2452 27.3885 -9.94649 18.5341 -16.2452 18.5341 72.0263 GPRESSAVG: 1757400 -91.2405 28.1446 -15.0584 27.9603 -10.6386 21.1301 -16.3447 18.017 72.5774 TIMING: 1757400 CPU: 5299.43, 0.00300398/step Wall: 5299.43, 0.00300398/step, 2.70575 hours remaining, 209.621094 MB of memory in use. ENERGY: 1757400 706.6630 2072.7356 1934.7894 113.7215 -206299.8262 17839.7567 0.0000 0.0000 34327.0442 -149305.1158 299.7866 -183632.1600 -149213.8277 298.8404 -3.2632 28.0952 557319.9515 -9.6913 -9.7673 PRESSURE: 1757600 193.661 -48.6832 84.4739 -48.6828 -27.0196 -45.0293 84.4736 -45.0292 -5.47115 GPRESSURE: 1757600 292.246 -78.2883 -59.1738 -67.0826 8.29566 -49.4841 25.7102 -79.0882 -43.2787 PRESSAVG: 1757600 -0.326031 -32.4889 54.9098 -32.4889 -2.59222 -61.9027 54.9099 -61.9026 5.77938 GPRESSAVG: 1757600 0.113847 -34.5553 56.0947 -32.091 -1.40219 -62.8183 54.6026 -62.1827 3.54116 TIMING: 1757600 CPU: 5300.03, 0.00300845/step Wall: 5300.03, 0.00300845/step, 2.70961 hours remaining, 209.621094 MB of memory in use. ENERGY: 1757600 730.2138 2090.6971 1917.8150 113.5946 -206181.4957 17742.6929 0.0000 0.0000 34218.1512 -149368.3311 298.8356 -183586.4823 -149261.1534 299.0508 53.7236 85.7544 557027.4874 0.9537 0.7509 PRESSURE: 1757800 263.381 65.0437 121.416 65.0438 6.51269 -123.752 121.418 -123.753 73.9087 GPRESSURE: 1757800 258.095 32.9381 193.953 87.7602 17.6335 -144.204 114.5 -116.466 168.5 PRESSAVG: 1757800 28.6507 -1.35723 -18.9117 -1.35728 34.2785 -5.73817 -18.9117 -5.73816 -44.041 GPRESSAVG: 1757800 28.9119 -1.31926 -20.2965 -1.73635 32.9285 -5.12599 -18.4759 -5.22576 -42.5347 TIMING: 1757800 CPU: 5300.63, 0.00299664/step Wall: 5300.63, 0.00299664/step, 2.69881 hours remaining, 209.621094 MB of memory in use. ENERGY: 1757800 757.1726 2040.5514 1920.0077 107.9249 -206251.8211 18101.6236 0.0000 0.0000 34010.2382 -149314.3027 297.0199 -183324.5409 -149215.4267 298.6146 114.6006 148.0759 558388.6566 6.2961 6.4352 PRESSURE: 1758000 286.777 14.7136 57.6198 14.7139 -84.73 100.689 57.6192 100.688 -86.4674 GPRESSURE: 1758000 280.126 140.199 73.8749 -16.8182 -93.2997 101.853 92.1139 78.7646 18.5938 PRESSAVG: 1758000 17.2813 -9.47321 19.5152 -9.47326 -29.3103 1.01871 19.5152 1.01876 7.39469 GPRESSAVG: 1758000 16.4732 -8.75393 20.1535 -9.66382 -28.3903 -0.0377505 19.9237 0.574868 7.11123 TIMING: 1758000 CPU: 5301.23, 0.00301249/step Wall: 5301.23, 0.00301249/step, 2.71291 hours remaining, 209.621094 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: 1758000 728.4415 2061.8872 1905.5726 93.6291 -206005.4341 17952.9674 0.0000 0.0000 34278.3426 -148984.5937 299.3613 -183262.9363 -148889.1615 298.8420 38.5264 68.4734 560204.0967 -1.5448 -1.6020 PRESSURE: 1758200 37.2917 47.7197 28.5268 47.7182 -144.36 -11.9394 28.5251 -11.9382 51.8655 GPRESSURE: 1758200 117.019 65.5623 22.0685 118.662 -154.381 109.198 63.3985 -104.873 68.7215 PRESSAVG: 1758200 26.8274 -13.9384 -26.9798 -13.9384 51.3366 -15.0465 -26.9798 -15.0465 -62.8218 GPRESSAVG: 1758200 26.6884 -13.3446 -25.9611 -14.2299 49.9118 -12.0376 -28.4242 -16.5029 -61.5878 TIMING: 1758200 CPU: 5301.84, 0.00300465/step Wall: 5301.84, 0.00300465/step, 2.70569 hours remaining, 209.621094 MB of memory in use. ENERGY: 1758200 717.7563 2114.4587 1933.8132 114.2589 -205826.8381 17639.1489 0.0000 0.0000 34506.3668 -148801.0353 301.3527 -183307.4021 -148699.7311 299.9253 -18.4010 10.4531 559030.9209 5.1141 5.0041 PRESSURE: 1758400 -247.531 -26.4451 -40.338 -26.4444 -278.569 -82.4291 -40.3378 -82.4271 -25.7707 GPRESSURE: 1758400 -185.347 -30.6557 -122.754 0.554568 -232.657 -68.0856 12.2549 -43.8293 -40.4567 PRESSAVG: 1758400 50.9411 53.2211 23.9875 53.2212 37.047 -66.8384 23.9875 -66.8384 -64.2894 GPRESSAVG: 1758400 51.4273 53.1824 22.3007 52.8711 38.6685 -71.2335 24.1774 -62.7193 -66.019 TIMING: 1758400 CPU: 5302.44, 0.00299919/step Wall: 5302.44, 0.00299919/step, 2.7006 hours remaining, 209.621094 MB of memory in use. ENERGY: 1758400 733.3234 2147.8388 1912.2005 118.6739 -205491.5767 17336.1340 0.0000 0.0000 34247.8483 -148995.5578 299.0950 -183243.4062 -148906.0648 299.9517 -183.9570 -152.8201 559433.7960 7.8996 8.0256 PRESSURE: 1758600 134.982 98.1444 11.4664 98.1435 161.443 10.9718 11.4669 10.9718 -289.112 GPRESSURE: 1758600 125.204 154.056 -25.592 61.9806 231.714 70.5731 -20.0124 16.8173 -239.541 PRESSAVG: 1758600 88.6076 7.3541 37.06 7.35407 -19.1891 5.7589 37.0599 5.75891 -82.6202 GPRESSAVG: 1758600 88.0861 6.12999 37.2634 7.28833 -19.3162 7.73881 36.0613 3.17174 -82.0477 TIMING: 1758600 CPU: 5303.04, 0.00300925/step Wall: 5303.04, 0.00300925/step, 2.70949 hours remaining, 209.621094 MB of memory in use. ENERGY: 1758600 701.0027 2109.6990 1963.8335 117.7752 -205930.3691 17755.9295 0.0000 0.0000 34160.6372 -149121.4920 298.3333 -183282.1292 -149018.6742 299.6420 2.4381 39.1254 558200.0821 -4.4006 -4.4259 PRESSURE: 1758800 333.331 -82.6749 -88.6219 -82.6744 5.04813 -60.8142 -88.621 -60.813 87.8582 GPRESSURE: 1758800 355.447 -6.59356 -73.9684 -82.7823 41.8368 -108.869 -17.7776 -120.385 136.576 PRESSAVG: 1758800 77.3989 21.9252 18.0292 21.9251 71.3374 -25.5333 18.0292 -25.5333 -76.5711 GPRESSAVG: 1758800 78.1872 21.7377 19.2234 21.8034 69.3629 -26.6057 19.8277 -24.9831 -75.6455 TIMING: 1758800 CPU: 5303.64, 0.00302769/step Wall: 5303.64, 0.00302769/step, 2.72593 hours remaining, 209.621094 MB of memory in use. ENERGY: 1758800 711.2876 2023.0095 1939.1434 113.3859 -206188.9180 17998.0020 0.0000 0.0000 34333.4046 -149070.6849 299.8422 -183404.0896 -148981.7789 299.3630 142.0791 177.9532 558802.4769 24.0551 23.9682 PRESSURE: 1759000 200.788 -72.2262 -136.783 -72.2255 -55.6256 -41.1706 -136.783 -41.1693 -93.3382 GPRESSURE: 1759000 236.63 -57.6959 -143.972 -98.3923 2.12024 -9.06858 -160.521 -24.2693 -100.353 PRESSAVG: 1759000 53.5094 2.78358 -50.223 2.78364 29.7123 -43.5813 -50.223 -43.5812 -51.5968 GPRESSAVG: 1759000 53.1395 3.89645 -50.6045 1.97075 30.9516 -42.418 -50.6618 -44.3085 -52.3487 TIMING: 1759000 CPU: 5304.25, 0.00303031/step Wall: 5304.25, 0.00303031/step, 2.72812 hours remaining, 209.832031 MB of memory in use. ENERGY: 1759000 721.1485 2079.2864 1920.5189 116.5173 -206009.8117 17840.2840 0.0000 0.0000 34108.4742 -149223.5823 297.8778 -183332.0565 -149133.1767 299.2265 17.2747 46.1326 558188.3098 10.5416 10.5808 PRESSURE: 1759200 -172.124 -228.073 -21.581 -228.073 -218.378 43.374 -21.5806 43.3741 -293.228 GPRESSURE: 1759200 -131.839 -231.068 -73.9167 -192.731 -180.11 16.1024 -66.7411 -22.937 -271.238 PRESSAVG: 1759200 20.8119 -57.4073 -33.2542 -57.4073 -38.7622 10.6701 -33.2542 10.6701 23.4757 GPRESSAVG: 1759200 21.1451 -57.9718 -34.3656 -58.6146 -39.3911 11.078 -33.0195 9.85809 23.7701 TIMING: 1759200 CPU: 5304.85, 0.00299995/step Wall: 5304.85, 0.00299995/step, 2.70062 hours remaining, 209.832031 MB of memory in use. ENERGY: 1759200 775.9834 2070.8098 1934.9286 116.9983 -205994.2946 17433.9861 0.0000 0.0000 34287.0089 -149374.5794 299.4370 -183661.5884 -149279.1566 299.5568 -227.9103 -194.3957 557245.1842 1.8418 1.8414 PRESSURE: 1759400 -208.174 -78.2899 -137.352 -78.2911 -409.789 106.174 -137.353 106.174 5.18999 GPRESSURE: 1759400 -196.908 -94.7241 -78.8373 -33.2312 -339.511 118.662 -146.777 131.884 26.4803 PRESSAVG: 1759400 11.1982 -3.40061 -2.14085 -3.40062 -19.7147 43.0973 -2.14089 43.0973 26.4206 GPRESSAVG: 1759400 11.368 -1.21327 -0.736917 -1.7035 -20.6302 40.9803 -1.21969 45.5821 26.9666 TIMING: 1759400 CPU: 5305.45, 0.00301384/step Wall: 5305.45, 0.00301384/step, 2.71296 hours remaining, 209.832031 MB of memory in use. ENERGY: 1759400 765.9903 2049.1963 1918.6294 113.5884 -205887.0098 17626.5694 0.0000 0.0000 34226.2129 -149186.8230 298.9060 -183413.0359 -149095.3003 299.3293 -204.2576 -169.9794 558852.1626 5.9680 5.9014 PRESSURE: 1759600 157.78 -68.3661 -15.707 -68.3668 103.173 -58.1605 -15.7063 -58.1607 -23.3297 GPRESSURE: 1759600 218.867 -72.4013 80.0469 -103.243 145.93 -196.145 -24.2829 -53.3275 -28.92 PRESSAVG: 1759600 71.1591 4.26847 53.7202 4.26843 -18.9393 48.0508 53.7202 48.0509 -7.81897 GPRESSAVG: 1759600 71.1089 3.22016 52.8858 4.18705 -17.4077 48.9749 52.5708 46.1416 -8.90932 TIMING: 1759600 CPU: 5306.05, 0.00299501/step Wall: 5306.05, 0.00299501/step, 2.69584 hours remaining, 209.832031 MB of memory in use. ENERGY: 1759600 743.7710 2059.8615 1906.8597 115.7934 -206138.0555 17817.3079 0.0000 0.0000 34252.8122 -149241.6498 299.1383 -183494.4620 -149151.1585 299.1472 79.2079 111.9591 557527.3238 14.8003 14.9306 PRESSURE: 1759800 40.5873 -84.9069 114.251 -84.9068 -94.1959 -159.256 114.252 -159.256 166.008 GPRESSURE: 1759800 120.289 -1.31371 126.09 -85.926 -129.298 -173.039 57.1238 -111.268 216.453 PRESSAVG: 1759800 42.1799 -10.2279 11.4811 -10.2278 32.9823 8.53407 11.481 8.53408 -119.646 GPRESSAVG: 1759800 42.2225 -12.7682 14.125 -10.5327 32.5387 6.09181 8.56333 11.4678 -119.379 TIMING: 1759800 CPU: 5306.65, 0.00300936/step Wall: 5306.65, 0.00300936/step, 2.7086 hours remaining, 209.832031 MB of memory in use. ENERGY: 1759800 747.6932 2041.8185 1969.1595 107.4737 -206467.7580 17831.1225 0.0000 0.0000 34361.0763 -149409.4144 300.0838 -183770.4907 -149316.3843 298.4223 37.4664 69.1480 556685.6818 -14.8279 -14.8726 PRESSURE: 1760000 -172.525 48.366 13.6904 48.3665 -138.182 -200.198 13.6898 -200.2 5.13421 GPRESSURE: 1760000 -101.514 18.3187 -15.3821 5.76003 -136.922 -223.826 -23.3791 -178.139 25.2239 PRESSAVG: 1760000 -46.4783 3.97823 9.72142 3.97834 39.69 -22.2561 9.72135 -22.2562 -45.3449 GPRESSAVG: 1760000 -46.5597 7.31197 8.42043 3.21253 40.5503 -21.1695 12.6053 -22.9618 -46.1014 TIMING: 1760000 CPU: 5307.25, 0.00298974/step Wall: 5307.25, 0.00298974/step, 2.69077 hours remaining, 209.832031 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: 1760000 738.6190 2049.5926 1949.4553 116.8995 -205807.8120 17556.8051 0.0000 0.0000 34076.1545 -149320.2861 297.5955 -183396.4405 -149230.5656 299.3522 -101.8575 -71.0710 556840.3615 -17.3777 -17.3703 PRESSURE: 1760200 -6.64606 39.4108 243.975 39.4098 11.2697 64.7526 243.975 64.7511 -142.481 GPRESSURE: 1760200 5.17858 0.449682 238.345 87.6208 45.6771 73.0637 261.183 61.4135 -94.9431 PRESSAVG: 1760200 38.8569 -11.4914 -4.76861 -11.4914 -8.8822 6.4924 -4.76862 6.49236 -87.6017 GPRESSAVG: 1760200 38.5439 -13.7409 -6.19527 -7.81491 -9.08168 6.11189 -5.75891 6.57326 -86.618 TIMING: 1760200 CPU: 5307.85, 0.00298873/step Wall: 5307.85, 0.00298873/step, 2.68969 hours remaining, 209.832031 MB of memory in use. ENERGY: 1760200 756.8449 2080.1609 1918.3500 124.1966 -206070.6868 17778.4454 0.0000 0.0000 34185.6666 -149227.0224 298.5519 -183412.6890 -149123.5011 299.3454 -45.9524 -14.6958 557197.2705 -19.2090 -19.0519 LDB: ============= START OF LOAD BALANCING ============== 5311.36 LDB: ============== END OF LOAD BALANCING =============== 5311.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5311.37 LDB: ============= START OF LOAD BALANCING ============== 5311.67 LDB: Largest compute 4800 load 0.030795 is 26.1% of average load 0.117978 LDB: Average compute 0.001735 is 1.5% of average load 0.117978 LDB: TIME 5311.67 LOAD: AVG 0.117978 MAX 0.210278 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.074 MB LDB: TIME 5311.67 LOAD: AVG 0.117978 MAX 0.210278 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.117 MB LDB: TIME 5311.67 LOAD: AVG 0.117978 MAX 0.210278 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.117 MB LDB: ============== END OF LOAD BALANCING =============== 5311.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5311.68 PRESSURE: 1760400 -371.763 17.0194 -114.866 17.0195 -354.534 118.365 -114.868 118.367 -316.455 GPRESSURE: 1760400 -346.406 51.5745 -219.352 16.1427 -283.607 58.9388 -106.917 139.944 -302.949 PRESSAVG: 1760400 -31.1714 -56.3887 2.91527 -56.3887 36.7627 -6.84253 2.91519 -6.84258 7.70576 GPRESSAVG: 1760400 -31.2302 -56.0176 3.30975 -59.0428 36.1043 -3.15575 4.40811 -8.20596 8.20451 TIMING: 1760400 CPU: 5308.46, 0.00305475/step Wall: 5308.46, 0.00305475/step, 2.74893 hours remaining, 208.441406 MB of memory in use. ENERGY: 1760400 774.5072 2074.9558 1920.9411 106.7044 -206262.4703 17551.6678 0.0000 0.0000 34491.3288 -149342.3652 301.2214 -183833.6940 -149252.4854 299.8421 -347.5843 -310.9876 557845.4355 4.4324 4.3595 PRESSURE: 1760600 -225.88 -44.9375 -27.5778 -44.937 -192.384 43.3013 -27.5784 43.3028 -95.7903 GPRESSURE: 1760600 -173.154 47.0378 -149.42 -59.386 -165.419 108.684 78.3072 -16.4442 -69.471 PRESSAVG: 1760600 -23.7522 -14.9615 -8.47485 -14.9616 48.8121 50.7214 -8.47488 50.7214 5.57748 GPRESSAVG: 1760600 -23.7651 -14.6319 -6.95961 -14.6658 50.2667 49.4502 -10.2376 50.5836 4.83707 TIMING: 1760600 CPU: 5309.06, 0.00301027/step Wall: 5309.06, 0.00301027/step, 2.70874 hours remaining, 208.644531 MB of memory in use. ENERGY: 1760600 750.6513 2055.9729 1933.1784 106.6996 -205954.8823 17430.5045 0.0000 0.0000 34233.6380 -149444.2376 298.9709 -183677.8756 -149346.2835 298.7002 -171.3513 -136.0146 557723.3295 10.2125 10.4462 PRESSURE: 1760800 -114.044 -14.3061 -187.858 -14.3074 -132.322 -125.331 -187.859 -125.329 -287.831 GPRESSURE: 1760800 -156.579 -35.0365 -220.509 -47.8444 -92.813 -68.9795 -70.8668 -126.992 -184.55 PRESSAVG: 1760800 8.36696 -17.5759 -3.00143 -17.5758 50.2022 50.067 -3.00145 50.067 -34.2384 GPRESSAVG: 1760800 8.567 -18.2307 -5.33355 -17.2784 48.8677 49.3671 -1.54558 51.5169 -32.4632 TIMING: 1760800 CPU: 5309.66, 0.00300139/step Wall: 5309.66, 0.00300139/step, 2.70059 hours remaining, 208.644531 MB of memory in use. ENERGY: 1760800 744.3763 2055.4957 1924.4166 93.0558 -205536.6319 17353.7779 0.0000 0.0000 34057.1615 -149308.3481 297.4297 -183365.5097 -149210.5813 298.7298 -178.0660 -144.6473 557518.5864 8.1102 8.3238 PRESSURE: 1761000 87.7055 138.5 -90.5655 138.5 -67.983 -50.8405 -90.5648 -50.8414 -116.014 GPRESSURE: 1761000 117.881 98.8999 -55.517 159.11 -65.9183 -94.0647 -66.2448 -48.6974 -42.4046 PRESSAVG: 1761000 42.8545 38.4351 -15.0215 38.4351 -43.9819 42.7953 -15.0215 42.7953 7.55598 GPRESSAVG: 1761000 43.6781 39.3895 -14.0168 38.8404 -43.3773 44.3065 -14.3195 41.6371 6.03249 TIMING: 1761000 CPU: 5310.26, 0.00300297/step Wall: 5310.26, 0.00300297/step, 2.70184 hours remaining, 208.644531 MB of memory in use. ENERGY: 1761000 781.2586 2019.2805 1942.3434 119.9645 -206050.4752 17726.6297 0.0000 0.0000 34097.6397 -149363.3589 297.7832 -183460.9985 -149267.0014 298.7212 -32.0970 3.1862 557076.6329 2.1428 2.1111 PRESSURE: 1761200 -98.5565 -81.3854 -151.19 -81.3842 125.505 134.376 -151.19 134.377 36.1957 GPRESSURE: 1761200 -105.172 -149.433 -155.051 49.8155 198.437 149.334 -173.738 117.097 63.3206 PRESSAVG: 1761200 23.8146 -3.4047 -17.7117 -3.40462 41.6923 -14.2964 -17.7118 -14.2964 -73.8161 GPRESSAVG: 1761200 24.3162 -4.45119 -18.3425 -2.47136 41.1933 -15.5129 -18.7579 -12.5756 -73.7003 TIMING: 1761200 CPU: 5310.86, 0.00299837/step Wall: 5310.86, 0.00299837/step, 2.69753 hours remaining, 208.644531 MB of memory in use. ENERGY: 1761200 798.2136 2027.7597 1901.4621 113.8886 -206374.2988 17907.1039 0.0000 0.0000 34207.8855 -149417.9855 298.7460 -183625.8710 -149321.3695 299.1123 21.0479 52.1955 557667.9402 -2.7697 -2.7303 PRESSURE: 1761400 -50.4858 190.927 -128.177 190.928 299.304 -235.13 -128.177 -235.131 130.168 GPRESSURE: 1761400 9.87539 114.276 -67.0447 173.718 282.65 -316.448 -163.773 -178.783 182.087 PRESSAVG: 1761400 46.6679 42.3306 12.2245 42.3306 -20.7531 -44.5544 12.2245 -44.5544 -9.01914 GPRESSAVG: 1761400 46.9802 42.9522 13.7142 40.284 -19.9985 -43.3151 11.0559 -47.0087 -10.0405 TIMING: 1761400 CPU: 5311.46, 0.00300136/step Wall: 5311.46, 0.00300136/step, 2.70006 hours remaining, 208.644531 MB of memory in use. ENERGY: 1761400 736.5941 2026.2652 1911.3315 108.1259 -206564.8636 18051.7459 0.0000 0.0000 34274.4907 -149456.3103 299.3277 -183730.8010 -149360.4152 298.6180 126.3287 158.2041 558286.0176 5.6319 5.6471 PRESSURE: 1761600 456.956 -26.5886 -22.5552 -26.5885 239.44 -127.798 -22.5542 -127.8 16.8681 GPRESSURE: 1761600 451.753 14.0118 -24.0852 -81.3988 264.919 -168.632 -32.2775 -51.1821 83.9598 PRESSAVG: 1761600 12.6871 34.8494 -29.5713 34.8495 -11.6886 -18.3283 -29.5714 -18.3283 18.3267 GPRESSAVG: 1761600 10.4227 36.2728 -31.4308 34.4038 -11.4768 -18.6993 -27.3931 -18.5467 20.0083 TIMING: 1761600 CPU: 5312.06, 0.00299219/step Wall: 5312.06, 0.00299219/step, 2.69164 hours remaining, 208.644531 MB of memory in use. ENERGY: 1761600 713.0108 2090.1227 1957.8274 105.7900 -206620.5384 18177.9339 0.0000 0.0000 34195.2470 -149380.6065 298.6356 -183575.8535 -149284.9944 298.2634 237.7546 266.8774 557151.9810 6.4417 6.3181 PRESSURE: 1761800 -131.366 -22.7833 15.2478 -22.7834 -92.2144 40.4467 15.2463 40.4478 204.9 GPRESSURE: 1761800 -107.469 -67.253 59.08 81.3031 -71.3764 68.143 17.4466 -26.1336 261.683 PRESSAVG: 1761800 -6.73845 -1.30721 -19.9642 -1.30719 -31.0707 -6.8893 -19.9642 -6.88941 42.3367 GPRESSAVG: 1761800 -4.55424 -2.99731 -18.7827 -1.22661 -32.1237 -8.0995 -19.1845 -6.57908 41.1155 TIMING: 1761800 CPU: 5312.66, 0.0029995/step Wall: 5312.66, 0.0029995/step, 2.69805 hours remaining, 208.644531 MB of memory in use. ENERGY: 1761800 729.2338 2021.7654 1933.0580 119.5421 -206412.4762 18009.0825 0.0000 0.0000 34084.2245 -149515.5699 297.6660 -183599.7944 -149419.2685 298.2110 -6.2267 27.6126 558328.9397 1.5092 1.4792 PRESSURE: 1762000 -69.5929 -35.5418 -107.857 -35.5423 -15.2917 59.7827 -107.858 59.7835 118.549 GPRESSURE: 1762000 -16.1884 -13.9475 -146.545 -105.906 -6.12443 36.1493 -99.5673 86.912 149.206 PRESSAVG: 1762000 -49.3891 3.58194 -2.98947 3.58202 59.642 6.28217 -2.98947 6.28224 -5.63671 GPRESSAVG: 1762000 -51.1669 4.98655 -3.89498 2.40112 60.1369 8.09269 -3.32474 6.704 -4.10346 TIMING: 1762000 CPU: 5313.26, 0.00299724/step Wall: 5313.26, 0.00299724/step, 2.69585 hours remaining, 208.644531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1762000 743.9887 2094.5921 1927.0487 120.2262 -206102.7878 17752.0105 0.0000 0.0000 33990.0609 -149474.8607 296.8437 -183464.9216 -149382.7815 298.9217 11.2215 42.2978 558354.1032 1.5388 1.6222 PRESSURE: 1762200 -193.2 129.067 90.9833 129.067 -252.591 120.795 90.9836 120.794 -149.101 GPRESSURE: 1762200 -132.264 49.6564 108.973 235.25 -265.656 73.6982 3.60761 125.688 -93.6565 PRESSAVG: 1762200 37.8773 -14.7008 -30.4551 -14.7008 -36.246 61.2433 -30.4551 61.2434 54.5437 GPRESSAVG: 1762200 39.7879 -16.6503 -29.9961 -13.0975 -36.7058 59.3927 -31.6671 62.2775 53.2141 TIMING: 1762200 CPU: 5313.86, 0.00300904/step Wall: 5313.86, 0.00300904/step, 2.70629 hours remaining, 208.644531 MB of memory in use. ENERGY: 1762200 742.8008 2102.1279 1899.3132 108.6507 -205910.2332 17551.5891 0.0000 0.0000 34103.4216 -149402.3300 297.8337 -183505.7516 -149308.6478 298.2444 -198.2972 -163.8588 558112.6811 18.7250 18.7654 PRESSURE: 1762400 31.8555 -23.4677 145.631 -23.4665 201.585 109.531 145.631 109.532 -262.581 GPRESSURE: 1762400 73.9333 -20.8808 100.038 -48.2629 212.487 44.5443 90.8028 62.7009 -225.884 PRESSAVG: 1762400 -72.2231 17.7437 14.348 17.7436 -2.89823 12.5074 14.348 12.5074 26.067 GPRESSAVG: 1762400 -72.0654 15.5427 15.0999 19.5254 -3.11471 14.3627 14.0424 10.2012 26.1525 TIMING: 1762400 CPU: 5314.47, 0.00302228/step Wall: 5314.47, 0.00302228/step, 2.71804 hours remaining, 208.644531 MB of memory in use. ENERGY: 1762400 724.6485 2072.3596 1939.4713 116.1804 -206227.1765 17785.6611 0.0000 0.0000 34210.0445 -149378.8110 298.7648 -183588.8555 -149278.1125 298.8825 -9.7136 20.1788 557998.4689 -16.3514 -16.3425 PRESSURE: 1762600 114.266 -111.473 -56.0181 -111.474 74.8311 -29.9447 -56.0199 -29.9438 106.432 GPRESSURE: 1762600 120.323 -95.94 -24.495 -84.0461 114.882 -10.5285 -58.9391 -70.9733 163.528 PRESSAVG: 1762600 35.1828 6.92555 -43.3403 6.9255 0.303527 39.581 -43.3404 39.581 -36.5719 GPRESSAVG: 1762600 34.674 9.30667 -44.2096 4.40854 1.04953 40.3397 -43.6153 40.8658 -37.029 TIMING: 1762600 CPU: 5315.07, 0.00301764/step Wall: 5315.07, 0.00301764/step, 2.7137 hours remaining, 208.906250 MB of memory in use. ENERGY: 1762600 712.9173 2066.6685 1920.4596 99.3080 -206050.8387 17821.1677 0.0000 0.0000 34227.1844 -149203.1332 298.9145 -183430.3176 -149113.0767 299.6429 98.5097 132.9111 558206.6927 -0.3619 -0.4351 PRESSURE: 1762800 31.6031 0.438301 -8.09082 0.439873 -101.342 -99.9657 -8.09168 -99.9653 -29.9487 GPRESSURE: 1762800 8.84277 84.2428 18.8693 -43.1852 11.9087 -155.099 -55.9633 -72.181 -25.2541 PRESSAVG: 1762800 34.5614 8.64427 -34.8848 8.64438 -31.3781 -28.1952 -34.8846 -28.1953 3.76697 GPRESSAVG: 1762800 34.2517 9.5902 -33.8982 9.12269 -31.0151 -29.993 -33.5209 -28.8721 3.66492 TIMING: 1762800 CPU: 5315.67, 0.00301681/step Wall: 5315.67, 0.00301681/step, 2.71279 hours remaining, 208.906250 MB of memory in use. ENERGY: 1762800 725.7854 2054.3051 1925.0124 104.1696 -206155.0654 17789.2740 0.0000 0.0000 34423.9069 -149132.6119 300.6325 -183556.5189 -149025.3009 299.9325 -33.2293 -1.5009 558491.5147 2.3168 2.3005 PRESSURE: 1763000 30.9385 -55.6245 -175.553 -55.6247 -54.2897 -42.9596 -175.553 -42.9612 -193.162 GPRESSURE: 1763000 66.9531 -51.6042 -235.02 -29.4919 -34.3198 -75.8026 -146.915 -42.4073 -146.708 PRESSAVG: 1763000 20.7229 45.7511 -73.4369 45.7511 -10.0833 -21.7701 -73.4369 -21.7701 -14.4826 GPRESSAVG: 1763000 21.2112 44.1482 -74.9102 46.1249 -11.705 -21.1936 -74.0785 -22.239 -13.9211 TIMING: 1763000 CPU: 5316.27, 0.00298842/step Wall: 5316.27, 0.00298842/step, 2.68708 hours remaining, 208.906250 MB of memory in use. ENERGY: 1763000 736.9464 2062.6624 1932.7716 108.4780 -205919.7069 17677.1754 0.0000 0.0000 34188.2902 -149213.3829 298.5748 -183401.6731 -149123.6704 299.7653 -72.1711 -38.0250 557040.5326 -1.2810 -1.4717 PRESSURE: 1763200 159.025 50.758 -35.0065 50.7574 322.294 69.3856 -35.0072 69.3858 -87.8312 GPRESSURE: 1763200 125.056 142.767 -58.8244 -33.6337 347.674 17.0703 -86.1292 86.5614 10.0147 PRESSAVG: 1763200 2.14199 20.2888 -53.4382 20.2888 -23.621 -2.25384 -53.4381 -2.25388 -16.9809 GPRESSAVG: 1763200 1.9476 21.5134 -51.8552 18.8304 -22.9516 -2.49755 -54.3512 -1.37082 -17.1479 TIMING: 1763200 CPU: 5316.87, 0.00299714/step Wall: 5316.87, 0.00299714/step, 2.69476 hours remaining, 208.906250 MB of memory in use. ENERGY: 1763200 756.8676 2065.2901 1926.3564 126.5730 -206164.8251 18074.0754 0.0000 0.0000 34022.4287 -149193.2338 297.1263 -183215.6625 -149102.7606 299.1220 131.1626 160.9149 557266.0843 -12.8200 -12.7173 PRESSURE: 1763400 78.1894 8.44909 179.026 8.44981 71.5796 -5.78742 179.026 -5.78639 -43.6973 GPRESSURE: 1763400 85.4988 -0.0209229 216.046 19.9118 155.703 45.0658 164.232 10.1294 -46.4917 PRESSAVG: 1763400 22.6536 29.6182 20.5983 29.6182 9.40907 -24.3555 20.5983 -24.3555 -14.2832 GPRESSAVG: 1763400 22.7138 30.1801 21.6948 29.4893 9.49339 -25.1178 21.2055 -24.3866 -14.105 TIMING: 1763400 CPU: 5317.47, 0.00299257/step Wall: 5317.47, 0.00299257/step, 2.69048 hours remaining, 208.906250 MB of memory in use. ENERGY: 1763400 734.2683 2102.9609 1934.1386 116.4927 -206090.9633 17779.6193 0.0000 0.0000 34280.7818 -149142.7017 299.3826 -183423.4835 -149054.8823 299.6302 35.3572 64.9034 557038.3384 5.9265 6.0340 PRESSURE: 1763600 -224.93 -83.6229 127.962 -83.622 -181.8 -61.3047 127.961 -61.3047 -186.594 GPRESSURE: 1763600 -197.503 -119.788 200.006 -86.9414 -120.273 -182.812 72.1623 -126.149 -181.108 PRESSAVG: 1763600 -8.13947 23.897 34.1928 23.897 15.3523 -10.9832 34.1928 -10.9831 -20.7461 GPRESSAVG: 1763600 -8.50943 24.1908 34.3863 24.0577 16.6134 -9.32057 31.9539 -12.4558 -21.2712 TIMING: 1763600 CPU: 5318.07, 0.00299158/step Wall: 5318.07, 0.00299158/step, 2.68943 hours remaining, 208.906250 MB of memory in use. ENERGY: 1763600 748.3478 2080.4138 1933.5232 101.6953 -206028.1870 17640.1394 0.0000 0.0000 34289.4849 -149234.5826 299.4586 -183524.0675 -149138.9089 299.2590 -197.7748 -166.2943 557957.7408 -4.5111 -4.3891 PRESSURE: 1763800 -26.5514 -10.0314 0.564403 -10.0309 108.587 182.043 0.565031 182.045 -94.638 GPRESSURE: 1763800 39.6748 -74.6081 -81.2434 -28.259 126.112 183.721 28.9673 199.259 -88.9296 PRESSAVG: 1763800 -18.0981 17.2621 40.8543 17.2621 -3.4119 3.18997 40.8543 3.18999 38.7408 GPRESSAVG: 1763800 -18.003 18.0479 38.7623 16.5871 -4.371 5.17392 41.9998 4.91751 39.6241 TIMING: 1763800 CPU: 5318.67, 0.0030076/step Wall: 5318.67, 0.0030076/step, 2.70366 hours remaining, 208.906250 MB of memory in use. ENERGY: 1763800 777.2294 2088.3930 1938.8003 112.1716 -206323.6154 17878.1318 0.0000 0.0000 34224.6294 -149304.2600 298.8922 -183528.8895 -149215.7970 299.0684 -4.2009 25.6190 556916.7845 5.7436 5.7500 PRESSURE: 1764000 -52.467 86.5369 7.17711 86.5381 75.7606 264.526 7.17797 264.525 33.3068 GPRESSURE: 1764000 -19.498 103.321 -39.1152 87.1336 146.052 239.79 -29.1134 271.245 25.472 PRESSAVG: 1764000 72.0804 75.0415 -10.352 75.0415 28.6351 37.1238 -10.352 37.1239 -68.9768 GPRESSAVG: 1764000 71.3669 73.8348 -10.4166 76.8675 29.0378 34.5084 -10.042 36.9606 -68.6442 TIMING: 1764000 CPU: 5319.27, 0.00302215/step Wall: 5319.27, 0.00302215/step, 2.71658 hours remaining, 208.906250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1764000 721.9431 2086.4429 1960.1980 111.2498 -206098.6669 17760.9832 0.0000 0.0000 34165.8550 -149291.9950 298.3789 -183457.8500 -149188.4400 299.6248 18.8668 50.6754 556672.9630 10.5795 10.5868 PRESSURE: 1764200 1.47742 -99.1445 120.072 -99.1442 93.0257 -70.2931 120.072 -70.2955 325.698 GPRESSURE: 1764200 9.85966 -88.3703 153.092 -55.4268 154.603 -2.66953 68.2381 14.1745 365.994 PRESSAVG: 1764200 -26.0045 -1.69766 14.3396 -1.69762 33.6716 52.3471 14.3396 52.3468 26.9686 GPRESSAVG: 1764200 -25.8416 -3.44107 16.0813 0.289995 34.417 54.8096 14.6709 51.6765 26.2782 TIMING: 1764200 CPU: 5319.88, 0.00302793/step Wall: 5319.88, 0.00302793/step, 2.7216 hours remaining, 208.906250 MB of memory in use. ENERGY: 1764200 718.5837 2120.6677 1962.3332 112.5719 -206170.0181 17872.5053 0.0000 0.0000 34255.7903 -149127.5660 299.1643 -183383.3563 -149036.4961 299.8029 140.0672 176.8188 555558.1812 11.5452 11.6178 LDB: ============= START OF LOAD BALANCING ============== 5323.4 LDB: ============== END OF LOAD BALANCING =============== 5323.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5323.4 LDB: ============= START OF LOAD BALANCING ============== 5323.7 LDB: Largest compute 4800 load 0.030199 is 25.6% of average load 0.117961 LDB: Average compute 0.001740 is 1.5% of average load 0.117961 LDB: TIME 5323.7 LOAD: AVG 0.117961 MAX 0.210988 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.895 MB LDB: TIME 5323.7 LOAD: AVG 0.117961 MAX 0.210988 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.965 MB LDB: TIME 5323.7 LOAD: AVG 0.117961 MAX 0.210988 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.965 MB LDB: ============== END OF LOAD BALANCING =============== 5323.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5323.71 PRESSURE: 1764400 -42.9292 -40.7859 -61.943 -40.784 197.174 4.37437 -61.9421 4.37563 222.988 GPRESSURE: 1764400 26.0495 -44.8534 -16.7998 -33.9068 223.359 5.82896 -73.8243 -37.5717 230.534 PRESSAVG: 1764400 -35.0981 9.37813 -13.6105 9.37816 11.6951 -24.4972 -13.6105 -24.4972 49.8824 GPRESSAVG: 1764400 -34.4398 11.4417 -15.4622 5.95238 11.0915 -27.3956 -13.2392 -24.2449 50.2245 TIMING: 1764400 CPU: 5320.49, 0.0030615/step Wall: 5320.49, 0.0030615/step, 2.75161 hours remaining, 210.503906 MB of memory in use. ENERGY: 1764400 703.1647 2081.0121 1938.8682 112.9312 -205852.6856 17759.1783 0.0000 0.0000 33984.5796 -149272.9513 296.7958 -183257.5309 -149180.9385 299.0873 125.7444 159.9808 556914.0890 8.8265 8.9587 PRESSURE: 1764600 -91.2502 25.7836 98.916 25.7839 -1.50151 78.1971 98.9156 78.1975 44.3071 GPRESSURE: 1764600 -60.9683 -19.8178 66.7067 36.2515 55.5701 55.1865 145.295 60.146 58.2866 PRESSAVG: 1764600 -38.8575 -12.322 18.0357 -12.322 47.2565 9.09742 18.0357 9.09735 8.173 GPRESSAVG: 1764600 -38.5127 -11.5074 18.7635 -11.6775 47.7686 10.8105 19.1619 8.9154 7.08544 TIMING: 1764600 CPU: 5321.09, 0.00299916/step Wall: 5321.09, 0.00299915/step, 2.69541 hours remaining, 210.503906 MB of memory in use. ENERGY: 1764600 715.5021 2089.8786 1906.4149 120.4326 -206246.0839 17809.9525 0.0000 0.0000 34258.1093 -149345.7939 299.1846 -183603.9032 -149249.1275 298.2221 -16.1482 17.6295 557378.2212 5.5240 5.4471 PRESSURE: 1764800 207.98 -176.916 -70.5285 -176.917 -83.8696 -129.763 -70.5295 -129.762 135.645 GPRESSURE: 1764800 217.811 -191.769 -186.695 -136.768 -65.9993 -105.204 29.6007 -184.701 204.39 PRESSAVG: 1764800 8.02637 22.8791 -29.646 22.8791 -24.0815 -2.44886 -29.646 -2.44887 -10.3528 GPRESSAVG: 1764800 7.84128 21.5282 -28.5311 23.4497 -24.863 -1.58582 -30.8835 -3.77016 -9.26239 TIMING: 1764800 CPU: 5321.69, 0.0029781/step Wall: 5321.69, 0.0029781/step, 2.67632 hours remaining, 210.503906 MB of memory in use. ENERGY: 1764800 758.8879 2128.0975 1936.8362 110.1325 -206337.7712 18002.8010 0.0000 0.0000 34076.8345 -149324.1816 297.6015 -183401.0161 -149223.5207 298.6701 86.5854 118.7340 556271.0578 -8.8026 -8.7614 PRESSURE: 1765000 120.697 -170.36 65.5558 -170.359 336.619 57.9723 65.5551 57.973 -61.2844 GPRESSURE: 1765000 168.307 -182.642 104.377 -75.6515 343.815 99.422 42.0071 -3.58553 -23.68 PRESSAVG: 1765000 -40.7787 -77.978 -28.8875 -77.9781 56.87 -44.6179 -28.8876 -44.618 3.19187 GPRESSAVG: 1765000 -41.1434 -78.9506 -28.8769 -75.5439 57.7313 -45.7692 -29.1061 -42.333 3.01585 TIMING: 1765000 CPU: 5322.29, 0.00299783/step Wall: 5322.29, 0.00299783/step, 2.69388 hours remaining, 210.503906 MB of memory in use. ENERGY: 1765000 737.8234 2034.0550 1935.1522 125.0763 -206330.7448 18008.5571 0.0000 0.0000 34190.5441 -149299.5366 298.5945 -183490.0807 -149200.4102 299.3414 132.0106 162.8140 555520.1955 6.4278 6.5346 PRESSURE: 1765200 -21.4335 56.4043 5.34919 56.4053 -77.3569 -80.5576 5.34959 -80.558 -182.547 GPRESSURE: 1765200 -22.4049 120.666 8.33849 28.7982 -54.2118 -47.3338 36.0475 -125.175 -119.176 PRESSAVG: 1765200 51.6024 -66.2671 -7.51353 -66.2672 -37.5185 -53.8796 -7.51349 -53.8795 -3.5188 GPRESSAVG: 1765200 52.0528 -65.0323 -9.51543 -69.3071 -38.8828 -53.707 -6.82599 -54.341 -2.50489 TIMING: 1765200 CPU: 5322.89, 0.00301931/step Wall: 5322.89, 0.00301931/step, 2.71302 hours remaining, 210.503906 MB of memory in use. ENERGY: 1765200 766.2233 2106.7253 1941.0394 104.6083 -205915.9348 17428.8550 0.0000 0.0000 34212.1228 -149356.3607 298.7830 -183568.4834 -149255.8175 299.6443 -93.7790 -65.2641 556033.6449 3.5217 3.5550 PRESSURE: 1765400 194.765 -96.0021 17.8656 -96.0015 -206.574 75.5558 17.865 75.5553 91.2999 GPRESSURE: 1765400 287.387 -98.6177 15.6207 -43.9072 -212.105 83.1358 67.6583 101.39 111.599 PRESSAVG: 1765400 64.047 -20.9575 -6.65711 -20.9577 -77.7602 -20.0471 -6.6571 -20.0472 -22.3323 GPRESSAVG: 1765400 64.5796 -20.575 -2.53556 -19.4216 -77.2012 -21.1198 -8.78631 -19.3032 -22.5682 TIMING: 1765400 CPU: 5323.49, 0.00298467/step Wall: 5323.49, 0.00298467/step, 2.68172 hours remaining, 210.503906 MB of memory in use. ENERGY: 1765400 768.4769 2060.9573 1901.2170 112.2917 -206275.8955 17836.7811 0.0000 0.0000 34198.2773 -149397.8944 298.6621 -183596.1716 -149306.7014 299.1039 26.4968 62.2937 555550.2698 -12.0152 -11.7300 PRESSURE: 1765600 139.961 -143.406 -2.2532 -143.407 -76.3295 45.9594 -2.25234 45.9599 -45.9205 GPRESSURE: 1765600 168.213 -75.9897 23.7436 -168.925 -40.6031 40.2778 -92.2225 78.2195 -1.80395 PRESSAVG: 1765600 127.553 -12.591 16.2645 -12.5911 -102.944 26.2977 16.2644 26.2977 5.33921 GPRESSAVG: 1765600 126.087 -12.8254 14.5946 -12.6211 -100.522 28.223 17.5075 23.9839 4.53868 TIMING: 1765600 CPU: 5324.09, 0.00300819/step Wall: 5324.09, 0.00300819/step, 2.70269 hours remaining, 210.503906 MB of memory in use. ENERGY: 1765600 761.0190 2105.1502 1930.5101 121.4635 -206112.2268 17675.2125 0.0000 0.0000 34063.8251 -149455.0466 297.4879 -183518.8716 -149356.0756 298.6991 5.9036 41.9353 555582.8158 9.9829 10.0348 PRESSURE: 1765800 16.1045 74.4022 8.88484 74.402 -172.554 7.32891 8.88536 7.32902 -1.98769 GPRESSURE: 1765800 23.5014 147.058 85.3496 -43.2182 -148.051 44.9065 -20.8461 -34.5508 52.4431 PRESSAVG: 1765800 42.8001 10.0582 -21.7698 10.0583 -34.4835 17.1294 -21.7697 17.1293 12.7274 GPRESSAVG: 1765800 43.1172 9.67703 -22.1988 8.61575 -35.8247 16.7601 -21.7948 19.1186 13.3452 TIMING: 1765800 CPU: 5324.69, 0.00303338/step Wall: 5324.69, 0.00303338/step, 2.72515 hours remaining, 210.503906 MB of memory in use. ENERGY: 1765800 789.9884 2159.4023 1931.4546 115.3486 -206492.6323 17819.4178 0.0000 0.0000 34223.1457 -149453.8750 298.8792 -183677.0207 -149357.7723 298.8959 -52.8126 -24.0355 556356.1562 7.0147 6.8792 PRESSURE: 1766000 -20.4391 -20.7138 -56.5739 -20.7144 -168.455 106.359 -56.5742 106.359 -235.561 GPRESSURE: 1766000 24.4972 -37.4188 -34.5792 43.8383 -126.88 93.5095 -11.6447 121.356 -224.602 PRESSAVG: 1766000 6.86467 22.6777 39.2265 22.6777 11.4587 28.9932 39.2264 28.9932 -42.2969 GPRESSAVG: 1766000 6.44612 22.8382 38.0093 23.9681 11.5142 28.8049 40.1129 28.9805 -41.9135 TIMING: 1766000 CPU: 5325.3, 0.00302478/step Wall: 5325.3, 0.00302478/step, 2.71726 hours remaining, 210.503906 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: 1766000 770.5021 2005.4490 1941.3195 122.2729 -206186.6995 17697.2923 0.0000 0.0000 34247.1186 -149402.7450 299.0886 -183649.8636 -149305.9500 298.6862 -141.4850 -108.9950 556869.6005 -7.9912 -7.9844 PRESSURE: 1766200 6.88422 6.08296 196.723 6.08302 26.1815 47.653 196.722 47.6518 -350.7 GPRESSURE: 1766200 46.2954 86.6826 190.794 84.5774 62.1676 126.203 172.09 11.7367 -330.571 PRESSAVG: 1766200 52.1468 5.54507 -8.47522 5.54512 14.0943 34.3245 -8.47532 34.3246 -67.9173 GPRESSAVG: 1766200 52.8772 6.24276 -7.82882 3.98176 13.7693 34.611 -8.62442 33.0763 -68.2601 TIMING: 1766200 CPU: 5325.91, 0.00306122/step Wall: 5325.91, 0.00306122/step, 2.74983 hours remaining, 210.503906 MB of memory in use. ENERGY: 1766200 778.9693 2064.9681 1950.8345 104.8560 -206118.8525 17687.6139 0.0000 0.0000 34095.7907 -149435.8200 297.7670 -183531.6107 -149346.3220 297.6938 -105.8781 -74.0361 557630.9920 -0.5587 -0.5379 PRESSURE: 1766400 -52.8051 45.6225 -101.35 45.6225 131.146 -26.1084 -101.349 -26.1054 -16.6604 GPRESSURE: 1766400 26.629 79.9782 -143.55 48.7981 124.907 -143.845 -54.5021 55.8734 10.6637 PRESSAVG: 1766400 82.2208 4.21037 27.969 4.21026 52.6989 -11.6395 27.9689 -11.6395 -132.933 GPRESSAVG: 1766400 81.0936 5.50629 29.0403 3.23117 54.4723 -11.0588 27.9785 -12.9105 -133.457 TIMING: 1766400 CPU: 5326.52, 0.00304043/step Wall: 5326.52, 0.00304043/step, 2.73098 hours remaining, 210.503906 MB of memory in use. ENERGY: 1766400 753.9071 2110.5468 1942.6989 121.8594 -206577.0810 18029.0939 0.0000 0.0000 34000.4583 -149618.5165 296.9345 -183618.9748 -149529.3975 297.8487 20.5600 54.0665 558002.0277 0.6621 0.7029 PRESSURE: 1766600 58.4062 61.4915 -202.006 61.4915 -59.894 147.226 -202.005 147.225 124.407 GPRESSURE: 1766600 99.8541 11.9302 -37.3362 67.5616 -25.3395 217.541 -186.887 116.037 143.694 PRESSAVG: 1766600 9.50024 7.80824 -37.5348 7.80832 38.587 37.585 -37.5347 37.5849 -47.9416 GPRESSAVG: 1766600 10.3743 5.9521 -38.311 9.46535 37.3028 36.4261 -36.5891 38.7354 -47.5982 TIMING: 1766600 CPU: 5327.12, 0.00301991/step Wall: 5327.12, 0.00301991/step, 2.71239 hours remaining, 210.503906 MB of memory in use. ENERGY: 1766600 714.7076 2046.7022 1922.0187 129.2222 -206249.8169 17685.0002 0.0000 0.0000 34069.9811 -149682.1849 297.5416 -183752.1660 -149584.0443 297.7980 40.9729 72.7361 557399.3670 0.0486 0.0263 PRESSURE: 1766800 -56.6767 -131.302 6.18857 -131.301 -107.008 65.4517 6.18864 65.4525 -178.47 GPRESSURE: 1766800 -3.39018 -168.155 51.9156 -89.75 -85.7729 -24.6065 -35.1751 -26.1551 -155.059 PRESSAVG: 1766800 77.7488 -21.8238 -14.3273 -21.8239 -26.3014 17.6486 -14.3273 17.6487 -27.3956 GPRESSAVG: 1766800 78.7311 -22.5606 -12.385 -21.3862 -26.5115 17.3806 -17.4425 19.8354 -27.9281 TIMING: 1766800 CPU: 5327.72, 0.00300444/step Wall: 5327.72, 0.00300444/step, 2.69832 hours remaining, 210.503906 MB of memory in use. ENERGY: 1766800 737.6723 2072.5812 1896.3941 109.9292 -206181.6213 17657.9127 0.0000 0.0000 34156.0767 -149551.0550 298.2935 -183707.1317 -149451.7459 297.3408 -114.0517 -81.4073 557954.6317 8.0172 8.0972 PRESSURE: 1767000 -5.21346 -1.101 -98.355 -1.10003 195.771 -83.1526 -98.3549 -83.153 38.7568 GPRESSURE: 1767000 53.1435 -51.3064 -90.6201 -39.0731 192.585 -65.1251 -80.4318 -59.9462 73.5348 PRESSAVG: 1767000 26.6114 -16.2293 14.6258 -16.2293 -2.98506 25.1515 14.6258 25.1515 -59.9313 GPRESSAVG: 1767000 25.0524 -16.0275 11.7704 -18.1819 -2.4285 27.1589 16.5187 22.0174 -58.7708 TIMING: 1767000 CPU: 5328.33, 0.00301094/step Wall: 5328.33, 0.00301094/step, 2.70399 hours remaining, 210.503906 MB of memory in use. ENERGY: 1767000 714.2142 2066.3519 1960.7386 121.1447 -206615.0249 18059.4559 0.0000 0.0000 34200.3473 -149492.7723 298.6801 -183693.1196 -149397.2376 298.2981 76.4382 106.4213 556114.9442 -12.1017 -12.0490 PRESSURE: 1767200 -89.77 -86.9779 -41.5643 -86.9777 -6.41991 -23.1244 -41.5638 -23.1242 284.967 GPRESSURE: 1767200 -136.786 -36.0055 -65.6571 -49.2967 100.741 -83.2024 -35.8671 27.1939 321.519 PRESSAVG: 1767200 -32.2072 49.2318 -35.6778 49.2318 38.9156 -29.8635 -35.6778 -29.8635 2.90237 GPRESSAVG: 1767200 -30.6531 46.9857 -34.3086 51.3009 37.8195 -33.1191 -35.3302 -28.1787 2.19127 TIMING: 1767200 CPU: 5328.93, 0.00298988/step Wall: 5328.93, 0.00298988/step, 2.68491 hours remaining, 210.503906 MB of memory in use. ENERGY: 1767200 725.9558 2056.3113 1964.4268 122.1879 -206380.7827 17934.6315 0.0000 0.0000 34092.1458 -149485.1236 297.7352 -183577.2694 -149388.5415 298.3576 62.9256 95.1579 557778.8045 3.2036 3.1192 PRESSURE: 1767400 -130.4 -64.9277 161.329 -64.9272 -189.459 137.314 161.329 137.314 -205.148 GPRESSURE: 1767400 -84.6347 -138.152 168.316 -39.6056 -162.387 163.344 77.7627 55.0731 -186.682 PRESSAVG: 1767400 3.71446 34.7255 -56.9998 34.7255 -78.0458 -14.8887 -56.9999 -14.8886 65.3616 GPRESSAVG: 1767400 2.89912 36.5802 -58.0226 34.2228 -77.991 -12.8307 -56.862 -17.2892 65.8486 TIMING: 1767400 CPU: 5329.53, 0.00303475/step Wall: 5329.53, 0.00303475/step, 2.72504 hours remaining, 210.503906 MB of memory in use. ENERGY: 1767400 767.0858 2108.8553 1962.5370 120.7074 -206050.8054 17537.4934 0.0000 0.0000 34254.1906 -149299.9359 299.1504 -183554.1265 -149203.0763 299.0063 -175.0021 -144.5679 558002.8606 -2.9899 -3.0811 PRESSURE: 1767600 121.457 25.8175 -10.4994 25.8186 -71.2213 105.543 -10.4999 105.544 -218.256 GPRESSURE: 1767600 134.294 69.1804 -80.3299 58.1437 -31.4974 101.369 37.3399 127.393 -176.74 PRESSAVG: 1767600 16.0386 26.8027 -30.6377 26.8026 42.5687 -47.5741 -30.6377 -47.5741 -79.6309 GPRESSAVG: 1767600 16.5034 27.2544 -30.8526 28.893 42.3141 -47.6203 -29.7702 -47.0068 -79.3499 TIMING: 1767600 CPU: 5330.14, 0.00301648/step Wall: 5330.14, 0.00301648/step, 2.70847 hours remaining, 210.503906 MB of memory in use. ENERGY: 1767600 742.7754 2084.4567 1961.6482 126.8506 -206381.6933 17803.9996 0.0000 0.0000 34427.8653 -149234.0975 300.6671 -183661.9628 -149141.7630 298.6478 -56.0067 -24.6479 558501.9472 -7.0079 -6.8441 PRESSURE: 1767800 -148.875 194.385 74.2589 194.384 -212.058 124.973 74.2576 124.972 -118.536 GPRESSURE: 1767800 -132.125 250.591 113.929 137.633 -180.709 162.135 195.22 113.688 -75.1723 PRESSAVG: 1767800 66.4133 36.2553 -32.056 36.2554 19.2222 -42.1905 -32.0561 -42.1905 -61.2205 GPRESSAVG: 1767800 66.4103 36.1826 -31.1654 33.4445 19.691 -43.1371 -31.6314 -41.2164 -61.7136 TIMING: 1767800 CPU: 5330.74, 0.00303015/step Wall: 5330.74, 0.00303015/step, 2.72057 hours remaining, 210.503906 MB of memory in use. ENERGY: 1767800 775.3464 2079.4465 1935.1454 109.6371 -205859.5641 17635.8030 0.0000 0.0000 34113.6448 -149210.5410 297.9229 -183324.1858 -149120.9715 299.6021 -159.8228 -129.3354 558848.4264 8.1383 8.1292 PRESSURE: 1768000 -50.081 99.2011 103.072 99.2016 -235.21 -159.649 103.073 -159.648 -224.461 GPRESSURE: 1768000 -5.87511 125.235 67.0005 39.4158 -264.604 -144.576 145.465 -187.236 -149.718 PRESSAVG: 1768000 4.80314 21.9333 10.6597 21.9332 49.6347 -7.03972 10.6597 -7.0398 -36.3117 GPRESSAVG: 1768000 4.8398 19.9987 9.57116 22.9864 49.729 -6.56172 9.21931 -7.75693 -36.5112 TIMING: 1768000 CPU: 5331.35, 0.00304027/step Wall: 5331.35, 0.00304027/step, 2.72948 hours remaining, 210.503906 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: 1768000 772.3453 2078.6486 1946.4134 121.0431 -206273.2774 17760.0785 0.0000 0.0000 34202.2364 -149392.5123 298.6966 -183594.7486 -149295.8274 299.1220 -169.9175 -140.0655 558839.8819 6.0421 6.0192 PRESSURE: 1768200 116.775 56.1268 75.9824 56.1275 117.451 -100.137 75.9831 -100.138 -214.418 GPRESSURE: 1768200 144.72 39.7868 107.608 61.6376 168.499 -122.181 70.9939 -48.44 -184.287 PRESSAVG: 1768200 -7.52882 1.55732 10.5573 1.55737 49.3436 -31.8882 10.5572 -31.8883 -67.0148 GPRESSAVG: 1768200 -6.98464 3.90914 10.8567 2.88161 48.6079 -34.037 10.1292 -31.7547 -67.0474 TIMING: 1768200 CPU: 5331.95, 0.00301995/step Wall: 5331.95, 0.00301995/step, 2.71108 hours remaining, 210.503906 MB of memory in use. ENERGY: 1768200 743.0243 2028.5078 1928.2760 109.9129 -206435.9168 17822.9716 0.0000 0.0000 34299.6218 -149503.6023 299.5471 -183803.2241 -149403.2544 298.8622 6.6024 42.9774 557867.3009 -8.4000 -8.4747 LDB: ============= START OF LOAD BALANCING ============== 5335.47 LDB: ============== END OF LOAD BALANCING =============== 5335.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5335.47 LDB: ============= START OF LOAD BALANCING ============== 5335.77 LDB: Largest compute 4800 load 0.030939 is 26.2% of average load 0.118016 LDB: Average compute 0.001729 is 1.5% of average load 0.118016 LDB: TIME 5335.78 LOAD: AVG 0.118016 MAX 0.211905 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.578 MB LDB: TIME 5335.78 LOAD: AVG 0.118016 MAX 0.211905 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.578 MB LDB: TIME 5335.78 LOAD: AVG 0.118016 MAX 0.211905 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.578 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5335.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5335.78 PRESSURE: 1768400 -83.3669 89.5372 -77.0085 89.5359 51.441 169.814 -77.0082 169.815 -113.454 GPRESSURE: 1768400 -41.4528 132.189 5.35896 45.0754 38.5314 223.574 -103.942 140.65 -47.6177 PRESSAVG: 1768400 -1.29709 11.7146 0.0958858 11.7146 57.3467 -11.3453 0.0958702 -11.3452 -56.199 GPRESSAVG: 1768400 -1.43057 12.5631 1.07319 10.5419 57.6846 -11.7375 -0.595067 -10.048 -56.7573 TIMING: 1768400 CPU: 5332.57, 0.00306852/step Wall: 5332.57, 0.00306852/step, 2.75451 hours remaining, 209.238281 MB of memory in use. ENERGY: 1768400 726.2690 2110.2610 1959.7320 108.3372 -206190.5829 17600.9095 0.0000 0.0000 34332.8228 -149352.2512 299.8371 -183685.0741 -149256.8171 298.3430 -48.4599 -16.8464 558165.1065 -0.0498 -0.1678 PRESSURE: 1768600 -236.373 -5.79195 -16.5651 -5.79108 -114.876 88.1029 -16.5661 88.1022 -223.498 GPRESSURE: 1768600 -192.339 57.6658 53.379 -2.04503 -35.3263 60.7222 -33.7862 115.893 -244.129 PRESSAVG: 1768600 14.0952 -3.34703 61.2862 -3.34696 2.399 25.5475 61.2862 25.5475 -39.2697 GPRESSAVG: 1768600 13.9684 -2.95686 61.7066 -1.865 2.33881 26.8324 60.4767 23.664 -39.0101 TIMING: 1768600 CPU: 5333.17, 0.00301656/step Wall: 5333.17, 0.00301656/step, 2.7077 hours remaining, 209.238281 MB of memory in use. ENERGY: 1768600 751.0563 2067.5367 1939.9305 110.6296 -206034.4033 17551.5342 0.0000 0.0000 34290.3843 -149323.3317 299.4665 -183613.7160 -149223.0176 299.0983 -191.5823 -157.2648 556373.9416 -7.5918 -7.5676 PRESSURE: 1768800 -82.7785 -1.0858 -86.3984 -1.0859 -221.752 98.3865 -86.398 98.3876 52.3684 GPRESSURE: 1768800 -27.4541 -7.85734 -177.778 -33.4404 -175.574 124.489 -1.10322 121.805 50.0587 PRESSAVG: 1768800 16.3411 -26.0933 -18.8268 -26.0933 5.16408 -19.111 -18.8269 -19.111 -48.7547 GPRESSAVG: 1768800 15.8922 -26.5783 -19.9412 -27.8949 5.86517 -18.6283 -17.4982 -18.1931 -49.7086 TIMING: 1768800 CPU: 5333.77, 0.00302115/step Wall: 5333.77, 0.00302115/step, 2.71165 hours remaining, 209.238281 MB of memory in use. ENERGY: 1768800 763.3741 2113.8924 1931.5482 111.7399 -205951.5691 17668.7305 0.0000 0.0000 34051.2094 -149311.0746 297.3777 -183362.2840 -149212.6579 298.4595 -84.0541 -50.9896 557315.9587 -9.0832 -9.3171 PRESSURE: 1769000 127.17 -64.1713 199.142 -64.172 -35.5571 48.9125 199.142 48.9142 -31.7387 GPRESSURE: 1769000 118.838 -67.2758 162.04 -44.7878 14.3541 29.9889 257.77 4.72131 34.5899 PRESSAVG: 1769000 13.1372 16.6895 -20.8664 16.6894 -37.7045 37.5609 -20.8664 37.5608 -10.6303 GPRESSAVG: 1769000 13.8839 16.1696 -21.7845 17.3405 -39.5741 38.8954 -21.6433 36.7829 -9.75723 TIMING: 1769000 CPU: 5334.38, 0.00301656/step Wall: 5334.38, 0.00301656/step, 2.70736 hours remaining, 209.238281 MB of memory in use. ENERGY: 1769000 743.2750 2090.9292 1962.7014 111.4722 -206191.3201 17925.5311 0.0000 0.0000 34186.6129 -149170.7983 298.5602 -183357.4112 -149073.5091 299.2616 19.9580 55.9273 557716.2035 -11.7325 -11.8158 PRESSURE: 1769200 -26.7982 36.4039 -155.759 36.4028 99.858 -132.554 -155.757 -132.554 86.8664 GPRESSURE: 1769200 2.3172 16.5744 -127.159 68.6699 85.3569 -183.721 -213.847 -34.7703 167.707 PRESSAVG: 1769200 25.2369 -37.6726 35.5032 -37.6726 -0.516285 7.47399 35.5032 7.474 -45.2131 GPRESSAVG: 1769200 23.6195 -38.5762 37.3981 -37.5713 0.476747 2.73954 35.3198 8.45216 -44.4784 TIMING: 1769200 CPU: 5334.98, 0.00302015/step Wall: 5334.98, 0.00302015/step, 2.71042 hours remaining, 209.238281 MB of memory in use. ENERGY: 1769200 738.3039 2089.3023 1952.2379 123.6048 -206211.3118 17769.7604 0.0000 0.0000 34417.2619 -149120.8406 300.5745 -183538.1024 -149025.7730 299.2811 53.3087 85.1270 556287.3063 -6.8309 -6.7940 PRESSURE: 1769400 -209.368 -40.9061 0.615525 -40.9052 66.2608 16.5071 0.615746 16.5059 -7.98102 GPRESSURE: 1769400 -157.423 -50.4148 -12.2109 -93.199 94.773 113.423 64.069 -26.7883 20.8632 PRESSAVG: 1769400 -44.9523 -41.6711 25.1909 -41.6711 49.766 -2.3541 25.1909 -2.35422 -6.54918 GPRESSAVG: 1769400 -43.3755 -41.4656 25.323 -43.1413 48.9393 1.48633 25.7638 -3.2141 -6.93739 TIMING: 1769400 CPU: 5335.58, 0.00299781/step Wall: 5335.58, 0.00299781/step, 2.6902 hours remaining, 209.238281 MB of memory in use. ENERGY: 1769400 772.8790 2051.0397 1946.0181 103.1688 -206073.7865 17846.8688 0.0000 0.0000 34237.9851 -149115.8269 299.0088 -183353.8120 -149021.7213 299.8549 -50.3627 -13.9289 557164.0329 -0.5785 -0.4579 PRESSURE: 1769600 18.814 -134.321 217.276 -134.321 -181.09 -145.012 217.276 -145.012 -68.988 GPRESSURE: 1769600 31.6948 -83.6717 146.702 -36.6852 -163.408 -53.1148 318.243 -189.737 1.13183 PRESSAVG: 1769600 -10.2572 29.7781 89.1669 29.7781 -8.28654 -5.97076 89.1669 -5.97072 -19.3138 GPRESSAVG: 1769600 -11.8009 30.457 87.5532 32.1574 -7.00508 -5.97956 89.6859 -5.594 -19.5482 TIMING: 1769600 CPU: 5336.19, 0.00302325/step Wall: 5336.19, 0.00302325/step, 2.71286 hours remaining, 209.308594 MB of memory in use. ENERGY: 1769600 735.4580 2099.8137 1947.9000 117.4234 -206088.6821 17605.7400 0.0000 0.0000 34344.3338 -149238.0131 299.9376 -183582.3469 -149137.2177 299.4553 -77.0881 -43.5272 558012.7539 -12.6192 -12.7847 PRESSURE: 1769800 115.322 -96.4928 85.5991 -96.4941 -72.1269 92.7513 85.5982 92.7507 -57.9668 GPRESSURE: 1769800 140.156 -62.8472 57.2967 -128.623 -48.2614 48.8 110.435 70.4017 -3.76469 PRESSAVG: 1769800 60.8263 -25.6423 54.5452 -25.6423 -16.9982 4.84719 54.5453 4.84728 5.03456 GPRESSAVG: 1769800 62.0051 -25.8305 55.1358 -27.2202 -17.1023 4.76885 54.3068 5.92201 4.29108 TIMING: 1769800 CPU: 5336.79, 0.00302711/step Wall: 5336.79, 0.00302711/step, 2.71616 hours remaining, 209.308594 MB of memory in use. ENERGY: 1769800 726.2425 2080.9291 1945.6658 114.7176 -206075.5278 17792.4866 0.0000 0.0000 34050.1618 -149365.3244 297.3685 -183415.4862 -149274.7298 298.7652 -4.9237 29.3766 558215.2419 16.2875 16.3979 PRESSURE: 1770000 100.819 17.59 44.0779 17.5906 10.4758 -157.585 44.0791 -157.585 -17.9109 GPRESSURE: 1770000 188.697 0.812833 42.6285 31.9264 57.3855 -152.872 12.5942 -132.634 -51.218 PRESSAVG: 1770000 38.9294 -53.1189 38.5698 -53.119 -38.8285 13.654 38.5697 13.654 -23.6417 GPRESSAVG: 1770000 37.74 -54.8998 39.636 -51.5008 -39.5218 14.0691 38.1594 13.6093 -21.39 TIMING: 1770000 CPU: 5337.4, 0.00304482/step Wall: 5337.4, 0.00304482/step, 2.73188 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: 1770000 714.6547 2113.3928 1931.9734 112.6504 -206508.6565 17910.6994 0.0000 0.0000 34331.3923 -149393.8936 299.8246 -183725.2859 -149304.9845 298.8472 31.1279 64.9548 558252.2618 -7.8469 -7.7239 PRESSURE: 1770200 363.901 51.4331 29.7523 51.4332 78.3721 67.4071 29.7527 67.4089 76.4667 GPRESSURE: 1770200 384.691 30.5822 32.0811 -12.0911 78.7901 89.6272 13.0511 93.656 150.801 PRESSAVG: 1770200 20.8786 13.1004 6.16016 13.1004 -39.8297 -43.8175 6.16008 -43.8175 5.0771 GPRESSAVG: 1770200 22.0884 13.0977 7.01406 11.3616 -40.1294 -43.5853 6.31757 -44.165 4.52718 TIMING: 1770200 CPU: 5338.01, 0.00302507/step Wall: 5338.01, 0.00302507/step, 2.71399 hours remaining, 209.308594 MB of memory in use. ENERGY: 1770200 768.6051 2133.0939 1921.9993 108.0056 -206482.0867 18147.3956 0.0000 0.0000 34174.1080 -149228.8792 298.4510 -183402.9872 -149132.9079 299.9394 172.9132 204.7608 557606.2170 -4.6246 -4.5046 PRESSURE: 1770400 69.7472 -87.2792 57.946 -87.28 -237.288 7.65034 57.9464 7.64924 204.938 GPRESSURE: 1770400 69.4736 -76.4247 83.3413 -51.6938 -165.412 49.3737 74.8234 -77.5483 224.18 PRESSAVG: 1770400 90.3843 -20.5599 6.11917 -20.56 -70.7176 -24.9968 6.11917 -24.9968 7.61345 GPRESSAVG: 1770400 89.099 -19.9646 5.25339 -19.53 -69.0525 -25.7465 6.0849 -24.4608 7.24742 TIMING: 1770400 CPU: 5338.61, 0.0030151/step Wall: 5338.61, 0.0030151/step, 2.70488 hours remaining, 209.308594 MB of memory in use. ENERGY: 1770400 790.0725 2096.3528 1973.0977 128.1915 -206189.5253 17896.9334 0.0000 0.0000 34216.5517 -149088.3258 298.8217 -183304.8775 -148992.5108 299.5319 12.4659 42.7473 558121.4880 9.0934 9.0980 PRESSURE: 1770600 -2.16322 -17.0647 65.556 -17.0636 -0.417497 66.728 65.5566 66.7261 240.351 GPRESSURE: 1770600 40.1452 -59.5151 89.8246 -10.4281 30.2794 107.672 34.7414 67.0205 257.778 PRESSAVG: 1770600 -29.1868 9.39958 14.3777 9.39956 43.9351 2.87759 14.3777 2.87755 12.9929 GPRESSAVG: 1770600 -28.8997 8.34962 13.7155 10.509 43.8336 3.98189 16.9843 3.38871 12.5654 TIMING: 1770600 CPU: 5339.22, 0.00303371/step Wall: 5339.22, 0.00303371/step, 2.72141 hours remaining, 209.445312 MB of memory in use. ENERGY: 1770600 707.7439 2141.7275 1947.0079 111.1382 -206302.0333 17864.8537 0.0000 0.0000 34171.4117 -149358.1505 298.4274 -183529.5623 -149262.9157 299.0943 79.2568 109.4008 556759.2153 9.2471 9.1664 PRESSURE: 1770800 -165.693 85.1569 232.704 85.1565 -63.4809 -176.826 232.705 -176.827 -56.4756 GPRESSURE: 1770800 -146.768 112.954 134.39 40.9993 -9.42562 -176.474 185.004 -149.148 -30.5296 PRESSAVG: 1770800 83.6033 8.81823 23.1494 8.8184 -13.0781 -24.4373 23.1494 -24.4375 -49.7747 GPRESSAVG: 1770800 84.7166 10.9004 23.9248 6.55944 -14.8209 -23.0893 19.9848 -25.7801 -49.9311 TIMING: 1770800 CPU: 5339.82, 0.00303227/step Wall: 5339.82, 0.00303227/step, 2.71995 hours remaining, 209.445312 MB of memory in use. ENERGY: 1770800 759.3500 2089.3119 1942.0498 99.7952 -206041.2368 17729.9377 0.0000 0.0000 34160.2766 -149260.5155 298.3302 -183420.7921 -149170.9795 299.2772 -95.2166 -62.2411 558418.8359 6.9168 6.6549 PRESSURE: 1771000 -22.59 59.0299 -6.91794 59.0301 -270.059 -27.3131 -6.91788 -27.3111 -112.513 GPRESSURE: 1771000 7.05692 28.7561 -39.3539 81.4883 -231.434 -46.251 -9.43783 -9.0262 -73.0069 PRESSAVG: 1771000 71.117 25.4774 -55.0535 25.4775 -32.9104 -43.2054 -55.0534 -43.2054 -24.4945 GPRESSAVG: 1771000 70.1864 25.3339 -56.0139 24.1376 -30.5858 -43.4283 -54.1561 -41.4955 -25.0997 TIMING: 1771000 CPU: 5340.43, 0.00301961/step Wall: 5340.43, 0.00301961/step, 2.70842 hours remaining, 209.445312 MB of memory in use. ENERGY: 1771000 707.9656 2084.1809 1949.9714 119.5375 -205745.2542 17605.9216 0.0000 0.0000 34026.9255 -149250.7518 297.1656 -183277.6773 -149154.8945 298.7975 -135.0542 -99.1280 558035.2824 4.5707 4.8337 PRESSURE: 1771200 -148.691 -25.0609 -67.7029 -25.0609 19.0007 -50.9196 -67.7026 -50.9185 20.2984 GPRESSURE: 1771200 -78.3552 -78.7985 -52.7741 -82.0436 5.57253 -7.67552 -120.13 -64.9017 68.7687 PRESSAVG: 1771200 8.06915 47.686 -27.6531 47.686 -35.3928 6.24954 -27.653 6.24948 7.99101 GPRESSAVG: 1771200 8.00365 47.2257 -27.004 47.929 -36.4718 5.39825 -27.4608 5.59714 9.37769 TIMING: 1771200 CPU: 5341.02, 0.00299552/step Wall: 5341.02, 0.00299552/step, 2.68665 hours remaining, 209.445312 MB of memory in use. ENERGY: 1771200 753.6105 2101.2882 1924.8011 117.6466 -206248.6577 17908.7082 0.0000 0.0000 34295.6887 -149146.9144 299.5128 -183442.6032 -149056.4314 300.1858 -36.4639 -1.3380 557361.1335 -6.4442 -6.3635 PRESSURE: 1771400 76.0752 44.218 53.2232 44.2174 -195.362 63.7989 53.2223 63.7989 -178.869 GPRESSURE: 1771400 85.8509 46.9797 31.7364 -11.8807 -154.77 -8.99507 51.26 134.77 -137.867 PRESSAVG: 1771400 33.7027 60.0407 -34.496 60.0408 1.15148 4.76268 -34.4959 4.76282 -17.9656 GPRESSAVG: 1771400 35.0157 60.0889 -34.8151 61.5103 1.10299 3.29529 -32.4941 6.72041 -19.4087 TIMING: 1771400 CPU: 5341.63, 0.00300824/step Wall: 5341.63, 0.00300824/step, 2.69789 hours remaining, 209.445312 MB of memory in use. ENERGY: 1771400 765.2385 2133.9275 1934.0239 107.0876 -206226.7319 17831.0923 0.0000 0.0000 34129.2540 -149326.1081 298.0593 -183455.3621 -149228.8321 299.6788 -99.3853 -68.9285 558340.3538 5.6295 5.5700 PRESSURE: 1771600 125.264 53.337 28.4658 53.3369 121.115 64.0685 28.467 64.0683 -228.113 GPRESSURE: 1771600 133.306 39.5218 -38.4651 95.8072 88.2161 56.7792 -10.5745 24.5407 -112.919 PRESSAVG: 1771600 16.2504 -27.8961 13.9693 -27.8961 -60.1427 -20.1237 13.9693 -20.1237 26.0021 GPRESSAVG: 1771600 16.2512 -25.8397 11.069 -28.8322 -59.8997 -20.7546 12.8727 -20.6913 26.7636 TIMING: 1771600 CPU: 5342.23, 0.00301447/step Wall: 5342.23, 0.00301447/step, 2.70331 hours remaining, 209.445312 MB of memory in use. ENERGY: 1771600 777.9886 2088.0915 1929.2883 105.6830 -206523.9434 17890.2633 0.0000 0.0000 34303.1170 -149429.5117 299.5777 -183732.6288 -149341.8374 298.7796 6.0886 36.2010 556656.3448 -5.9634 -5.6283 PRESSURE: 1771800 -184.844 161.331 -210.565 161.332 -22.0567 65.6766 -210.564 65.6768 201.368 GPRESSURE: 1771800 -229.394 120.542 -172.187 190.54 36.2112 -4.34309 -221.973 25.3902 281.763 PRESSAVG: 1771800 8.12348 35.2555 -33.2173 35.2556 -7.13744 -11.93 -33.2174 -11.9299 45.053 GPRESSAVG: 1771800 8.48627 34.4392 -30.7337 36.5885 -7.52168 -11.7803 -34.7581 -11.5609 45.0448 TIMING: 1771800 CPU: 5342.84, 0.00303963/step Wall: 5342.84, 0.00303963/step, 2.7257 hours remaining, 209.445312 MB of memory in use. ENERGY: 1771800 751.0619 2125.9221 1919.4295 108.9056 -206474.9921 18019.5690 0.0000 0.0000 34185.2002 -149364.9039 298.5479 -183550.1041 -149266.8360 298.3937 -1.8441 29.5268 558959.5287 15.3463 15.3365 PRESSURE: 1772000 32.6971 -182.078 -19.6468 -182.079 -16.9711 82.9779 -19.6454 82.9798 44.8264 GPRESSURE: 1772000 100.386 -158.18 -90.176 -186.647 13.2946 -46.375 18.6626 14.9217 44.8708 PRESSAVG: 1772000 25.0474 59.924 10.7659 59.9241 -42.6124 40.9067 10.766 40.9067 -23.7442 GPRESSAVG: 1772000 24.2616 58.391 9.51695 60.6608 -41.4636 38.6173 13.3884 41.1758 -23.6595 TIMING: 1772000 CPU: 5343.44, 0.0030083/step Wall: 5343.44, 0.0030083/step, 2.69744 hours remaining, 209.445312 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: 1772000 783.9056 2058.4807 1932.2461 95.7362 -206332.0929 17904.8470 0.0000 0.0000 34263.7915 -149293.0857 299.2342 -183556.8773 -149200.5914 299.6974 20.1841 52.8505 556920.7935 -13.7698 -13.6205 PRESSURE: 1772200 -35.948 -42.7572 26.1273 -42.7564 185.589 -18.5581 26.1287 -18.558 -222.73 GPRESSURE: 1772200 -9.63669 -58.9478 47.2136 7.57455 237.042 4.84791 -57.8718 -36.475 -198.765 PRESSAVG: 1772200 89.3891 -11.2143 -0.169857 -11.2144 -15.4996 14.574 -0.16984 14.5738 -57.0315 GPRESSAVG: 1772200 90.4559 -11.0868 1.91379 -10.8858 -16.3303 17.4777 -1.40118 13.3491 -57.5689 TIMING: 1772200 CPU: 5344.05, 0.0030345/step Wall: 5344.05, 0.0030345/step, 2.72076 hours remaining, 209.445312 MB of memory in use. ENERGY: 1772200 729.0936 2109.1990 1909.0990 119.7594 -205970.9856 17708.1305 0.0000 0.0000 34064.2896 -149331.4144 297.4919 -183395.7041 -149230.3177 299.9034 -24.3628 9.5469 558396.8602 5.6193 5.5189 LDB: ============= START OF LOAD BALANCING ============== 5347.57 LDB: ============== END OF LOAD BALANCING =============== 5347.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5347.57 LDB: ============= START OF LOAD BALANCING ============== 5347.88 LDB: Largest compute 4800 load 0.032964 is 27.9% of average load 0.118014 LDB: Average compute 0.001737 is 1.5% of average load 0.118014 LDB: TIME 5347.88 LOAD: AVG 0.118014 MAX 0.214396 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.223 MB LDB: TIME 5347.88 LOAD: AVG 0.118014 MAX 0.214396 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.266 MB LDB: TIME 5347.88 LOAD: AVG 0.118014 MAX 0.214396 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.266 MB LDB: ============== END OF LOAD BALANCING =============== 5347.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5347.88 PRESSURE: 1772400 51.9152 150.869 -98.2286 150.869 53.9964 19.7314 -98.2289 19.7307 -64.8 GPRESSURE: 1772400 33.9629 111.847 -110.709 112.841 102.676 77.0878 -96.8836 2.892 6.68867 PRESSAVG: 1772400 17.8507 -11.4063 -33.5232 -11.4063 -2.51373 5.87616 -33.5232 5.8762 -26.4855 GPRESSAVG: 1772400 16.7288 -12.5186 -32.8511 -13.0059 -2.51635 4.23577 -33.3041 7.2002 -25.4993 TIMING: 1772400 CPU: 5344.67, 0.00310915/step Wall: 5344.67, 0.00310915/step, 2.78752 hours remaining, 207.757812 MB of memory in use. ENERGY: 1772400 724.9670 2112.8366 1927.2960 115.4019 -206349.8202 17834.7871 0.0000 0.0000 34387.6287 -149246.9027 300.3157 -183634.5315 -149162.6915 298.7439 13.7039 47.7758 558126.6117 -3.7162 -3.7623 PRESSURE: 1772600 32.9362 -25.5384 84.032 -25.5393 -371.655 155.075 84.0322 155.077 84.5206 GPRESSURE: 1772600 38.5503 -37.6383 84.5435 -15.1003 -277.385 138.391 72.3169 108.896 86.455 PRESSAVG: 1772600 14.4222 -5.82378 52.7113 -5.82379 -61.7654 25.0422 52.7113 25.0422 61.8021 GPRESSAVG: 1772600 14.5447 -6.58106 55.0116 -4.66334 -62.3103 25.9062 49.6779 23.3614 62.2657 TIMING: 1772600 CPU: 5345.27, 0.00303159/step Wall: 5345.27, 0.00303159/step, 2.71782 hours remaining, 207.882812 MB of memory in use. ENERGY: 1772600 758.5651 2123.9337 1933.8236 100.0167 -206398.5394 17868.3343 0.0000 0.0000 34296.2287 -149317.6372 299.5175 -183613.8660 -149219.0477 299.0847 -84.7326 -50.7933 558636.0295 4.8196 4.8334 PRESSURE: 1772800 149.929 2.38627 60.6075 2.38584 155.136 -7.30494 60.6079 -7.30445 102.369 GPRESSURE: 1772800 230.938 -182.762 21.5889 136.987 170.007 -8.20077 75.3073 -71.1407 96.4326 PRESSAVG: 1772800 30.9542 -2.27202 -10.8894 -2.27204 -86.7023 -7.22481 -10.8894 -7.22467 43.7981 GPRESSAVG: 1772800 31.5686 -1.17444 -13.13 -2.29059 -85.7949 -6.80207 -9.44032 -6.17857 41.9497 TIMING: 1772800 CPU: 5345.88, 0.0030264/step Wall: 5345.88, 0.0030264/step, 2.713 hours remaining, 207.882812 MB of memory in use. ENERGY: 1772800 778.4752 2071.0641 1931.8078 126.5682 -206562.0023 18177.3733 0.0000 0.0000 34203.2245 -149273.4891 298.7053 -183476.7136 -149171.8889 299.1432 135.8116 165.7923 556264.2789 -3.9834 -4.0922 PRESSURE: 1773000 -147.001 -135.026 241.881 -135.026 -179.863 -152.579 241.88 -152.579 34.5987 GPRESSURE: 1773000 -148.087 -107.439 225.023 -119.799 -163.989 -213.018 268.66 -88.0547 112.225 PRESSAVG: 1773000 13.5455 0.244594 13.2886 0.244587 33.1741 -30.889 13.2886 -30.8888 -51.5744 GPRESSAVG: 1773000 13.0017 0.603557 11.8225 0.340405 31.1376 -31.3419 14.232 -31.4775 -49.4087 TIMING: 1773000 CPU: 5346.48, 0.00302332/step Wall: 5346.48, 0.00302332/step, 2.71007 hours remaining, 207.882812 MB of memory in use. ENERGY: 1773000 775.9447 2107.3567 1935.7682 116.8775 -206311.7483 17770.4014 0.0000 0.0000 34248.8032 -149356.5966 299.1033 -183605.3998 -149256.9285 298.7595 -97.4218 -66.6172 557813.5820 -1.6183 -1.7565 PRESSURE: 1773200 28.9963 -75.4709 26.2966 -75.4709 0.206853 19.8813 26.2954 19.8811 30.1958 GPRESSURE: 1773200 110.318 -101.491 52.0777 -90.3978 53.4744 24.6301 12.4211 31.4964 -7.21009 PRESSAVG: 1773200 41.2858 -28.6736 47.64 -28.6735 -8.68776 17.2242 47.64 17.2242 -20.5933 GPRESSAVG: 1773200 41.809 -28.2759 49.2616 -28.7008 -7.69286 19.9995 47.8314 15.9943 -21.8604 TIMING: 1773200 CPU: 5347.08, 0.00299958/step Wall: 5347.08, 0.00299958/step, 2.68863 hours remaining, 207.882812 MB of memory in use. ENERGY: 1773200 722.9995 2105.9755 1938.0785 101.9173 -206139.5061 17691.8685 0.0000 0.0000 34171.3226 -149407.3441 298.4267 -183578.6667 -149310.6343 298.8998 19.7996 52.1942 557037.7728 4.0016 4.0852 PRESSURE: 1773400 -253.251 58.8271 78.5141 58.8278 95.2437 80.0728 78.5145 80.0727 58.5789 GPRESSURE: 1773400 -151.782 39.7716 27.5297 46.9329 41.4629 105.228 18.009 92.0001 122.61 PRESSAVG: 1773400 -32.046 -2.23985 -12.4324 -2.23973 -28.8061 -30.3981 -12.4324 -30.398 36.2445 GPRESSAVG: 1773400 -31.8361 -2.95568 -14.4154 -2.17589 -28.6334 -32.6613 -10.6831 -29.3737 36.1645 TIMING: 1773400 CPU: 5347.68, 0.00299544/step Wall: 5347.68, 0.00299544/step, 2.68475 hours remaining, 207.882812 MB of memory in use. ENERGY: 1773400 770.1461 2113.7284 1934.1774 108.4457 -206322.6907 17713.2279 0.0000 0.0000 34155.2465 -149527.7188 298.2863 -183682.9653 -149426.8170 298.8692 -33.1427 4.0972 558131.9585 -8.2025 -8.1017 PRESSURE: 1773600 0.129954 -7.80789 80.6813 -7.80787 -143.751 35.222 80.6809 35.221 284.637 GPRESSURE: 1773600 67.2309 -19.7501 134.119 -46.2352 -113.51 22.4984 35.3405 66.2881 271.917 PRESSAVG: 1773600 -39.4455 -29.2665 45.4472 -29.2664 -37.9338 16.59 45.4472 16.5899 56.1671 GPRESSAVG: 1773600 -39.901 -29.3433 47.8486 -30.5141 -37.1649 16.264 42.1431 18.5005 56.5757 TIMING: 1773600 CPU: 5348.28, 0.00299864/step Wall: 5348.28, 0.00299864/step, 2.68744 hours remaining, 208.085938 MB of memory in use. ENERGY: 1773600 739.7900 2178.0054 1929.4806 110.9755 -206626.6950 17881.7480 0.0000 0.0000 34298.9937 -149487.7019 299.5416 -183786.6956 -149385.0543 298.6823 47.0052 75.2126 556497.0912 -7.0708 -6.8301 PRESSURE: 1773800 237.366 -16.8713 25.4914 -16.8718 105.001 177.693 25.4904 177.693 -93.171 GPRESSURE: 1773800 303.877 -34.7229 183.338 -24.0752 135.209 156.074 52.188 112.983 -98.4464 PRESSAVG: 1773800 -41.249 -24.101 8.63139 -24.101 -54.5969 -35.152 8.63136 -35.1519 72.3006 GPRESSAVG: 1773800 -40.8921 -24.0896 7.75978 -23.5363 -55.5266 -33.351 10.5129 -37.5066 72.8547 TIMING: 1773800 CPU: 5348.89, 0.00302966/step Wall: 5348.89, 0.00302966/step, 2.71508 hours remaining, 208.085938 MB of memory in use. ENERGY: 1773800 727.8328 2110.4814 1947.0674 105.7949 -206664.8632 18112.1950 0.0000 0.0000 34282.9600 -149378.5318 299.4016 -183661.4918 -149282.8120 299.0646 83.0653 113.5468 557207.3961 -7.8484 -7.8546 PRESSURE: 1774000 -230.034 114.109 77.459 114.109 -193.408 58.9305 77.4589 58.931 -27.9354 GPRESSURE: 1774000 -140.197 109.209 60.4202 68.2468 -222.821 30.0335 68.0167 48.1716 -4.09639 PRESSAVG: 1774000 4.30169 28.0843 62.4296 28.0843 -53.5761 23.6991 62.4297 23.6992 58.9274 GPRESSAVG: 1774000 4.97378 26.7643 62.0186 28.0067 -54.7487 21.1898 61.9693 25.1736 59.6479 TIMING: 1774000 CPU: 5349.49, 0.00303051/step Wall: 5349.49, 0.00303051/step, 2.71567 hours remaining, 208.085938 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: 1774000 758.0776 2108.9354 1924.9563 111.6872 -206132.7573 17534.7011 0.0000 0.0000 34084.2112 -149610.1885 297.6659 -183694.3997 -149520.6512 298.6116 -150.4591 -122.3713 558461.2281 3.2177 3.2910 PRESSURE: 1774200 20.0657 -165.685 19.3104 -165.686 125.396 72.0384 19.3098 72.0384 -125.707 GPRESSURE: 1774200 64.2561 -79.7847 -20.7096 -122.286 126.036 142.892 63.3859 60.6304 -83.1687 PRESSAVG: 1774200 39.5797 -5.40452 -23.347 -5.40455 12.5051 34.4128 -23.347 34.4128 -108.802 GPRESSAVG: 1774200 39.8075 -3.64541 -22.7677 -5.55571 14.0278 36.3042 -21.7442 33.1064 -110.897 TIMING: 1774200 CPU: 5350.1, 0.00304016/step Wall: 5350.1, 0.00304016/step, 2.72416 hours remaining, 208.085938 MB of memory in use. ENERGY: 1774200 750.9345 2068.0002 1950.5759 102.6784 -206422.1938 17863.5048 0.0000 0.0000 34057.9768 -149628.5232 297.4368 -183686.5000 -149534.8422 297.4169 6.5849 35.7079 558590.8135 -18.9058 -19.0206 PRESSURE: 1774400 -92.8007 132.239 53.01 132.239 -226.736 136.274 53.0103 136.274 -58.8478 GPRESSURE: 1774400 -42.3625 124.429 102.262 145.418 -185.174 171.043 -31.6642 48.253 -41.443 PRESSAVG: 1774400 20.4178 -3.67643 -12.4352 -3.67651 8.13433 40.8961 -12.4353 40.8962 -9.21435 GPRESSAVG: 1774400 20.1089 -3.84678 -12.552 -4.34401 7.78989 42.0185 -13.5941 40.9623 -8.90616 TIMING: 1774400 CPU: 5350.71, 0.00303512/step Wall: 5350.71, 0.00303512/step, 2.71947 hours remaining, 208.085938 MB of memory in use. ENERGY: 1774400 742.7793 2068.6089 1925.3778 105.6736 -206152.6747 17612.6611 0.0000 0.0000 33979.2214 -149718.3527 296.7490 -183697.5741 -149620.7874 297.2082 -126.1282 -89.6598 557773.8601 6.4459 6.3309 PRESSURE: 1774600 17.0751 7.55486 -17.4695 7.55478 -61.0383 100.272 -17.4687 100.273 274.778 GPRESSURE: 1774600 25.2155 -18.0772 31.973 -25.9493 -32.8662 71.6086 -30.4275 102.443 332.102 PRESSAVG: 1774600 47.814 -33.1766 -31.9555 -33.1767 -16.6465 -19.3549 -31.9554 -19.3548 -21.6602 GPRESSAVG: 1774600 48.3703 -35.0964 -31.4131 -32.2587 -17.1898 -20.7646 -30.568 -19.7831 -21.5225 TIMING: 1774600 CPU: 5351.32, 0.00303121/step Wall: 5351.32, 0.00303121/step, 2.71579 hours remaining, 208.085938 MB of memory in use. ENERGY: 1774600 710.5359 2098.5109 1915.5721 89.4151 -206488.7845 17987.5635 0.0000 0.0000 34290.6143 -149396.5726 299.4685 -183687.1869 -149300.5487 297.7795 76.9383 108.1504 557697.1912 3.1691 3.2193 PRESSURE: 1774800 -46.0665 -32.3191 -141.558 -32.3197 -150.419 -15.5962 -141.556 -15.5962 390.177 GPRESSURE: 1774800 -58.1774 -42.6579 -128.852 -51.5679 -56.5002 -60.4785 -137.842 -37.4454 397.303 PRESSAVG: 1774800 21.9844 -15.4952 0.541557 -15.4951 -2.26991 -16.7655 0.541526 -16.7655 38.8144 GPRESSAVG: 1774800 21.5051 -14.4197 -0.565984 -16.2684 -1.29531 -18.2861 0.0123006 -13.7099 38.2697 TIMING: 1774800 CPU: 5351.92, 0.00302868/step Wall: 5351.92, 0.00302868/step, 2.71337 hours remaining, 208.085938 MB of memory in use. ENERGY: 1774800 744.2280 2089.7496 1937.2845 110.7942 -206378.9311 17948.5873 0.0000 0.0000 34328.7720 -149219.5155 299.8017 -183548.2875 -149125.0207 299.1188 64.5639 94.2086 557776.7419 19.5096 19.4932 PRESSURE: 1775000 303.732 124.68 -101.411 124.681 182.404 -80.7626 -101.41 -80.7631 -30.4492 GPRESSURE: 1775000 374.049 274.088 -92.7896 72.9019 201.297 -48.0876 -206.1 -66.7265 -33.0913 PRESSAVG: 1775000 15.4158 24.3481 18.6311 24.3481 -34.1373 -39.621 18.6311 -39.6209 28.9017 GPRESSAVG: 1775000 15.7755 26.3085 17.3863 24.0208 -33.9024 -37.4851 16.9832 -42.3316 28.3664 TIMING: 1775000 CPU: 5352.52, 0.00301247/step Wall: 5352.52, 0.00301247/step, 2.69867 hours remaining, 208.085938 MB of memory in use. ENERGY: 1775000 769.7421 2078.1636 1898.4006 121.8048 -206312.0612 18040.7980 0.0000 0.0000 34153.2218 -149249.9304 298.2686 -183403.1522 -149159.5268 299.5074 151.8955 180.7516 556962.4028 3.3934 3.4132 PRESSURE: 1775200 156.815 49.3106 -132.755 49.3119 67.3344 -71.2383 -132.754 -71.2379 -94.4316 GPRESSURE: 1775200 191.115 146.781 -86.559 -3.5396 103.472 -19.4806 -226.973 -73.7375 -70.294 PRESSAVG: 1775200 9.67814 8.1737 36.0058 8.17373 -26.2044 -54.9959 36.0058 -54.9959 -9.09351 GPRESSAVG: 1775200 9.49957 5.26985 38.0258 9.41299 -26.7418 -54.6905 37.4621 -54.3232 -7.81486 TIMING: 1775200 CPU: 5353.12, 0.00300138/step Wall: 5353.12, 0.00300138/step, 2.68857 hours remaining, 208.085938 MB of memory in use. ENERGY: 1775200 786.5244 2162.4185 1902.1392 110.5451 -206655.5714 18019.1024 0.0000 0.0000 34255.4029 -149419.4389 299.1610 -183674.8418 -149327.3279 298.9333 43.2391 74.7642 557897.2782 -8.5399 -8.3524 PRESSURE: 1775400 -146.559 32.6064 63.2829 32.6058 -68.7832 -191.372 63.2831 -191.374 177.194 GPRESSURE: 1775400 -73.7343 14.9874 15.3827 80.6016 -22.2331 -243.686 118.204 -129.669 160.203 PRESSAVG: 1775400 21.05 27.948 -16.7864 27.948 0.0211468 -25.8605 -16.7864 -25.8606 -15.8751 GPRESSAVG: 1775400 20.7457 26.3044 -18.8937 28.4058 1.03965 -27.351 -18.1222 -25.1969 -16.3285 TIMING: 1775400 CPU: 5353.73, 0.00301653/step Wall: 5353.73, 0.00301653/step, 2.70198 hours remaining, 208.085938 MB of memory in use. ENERGY: 1775400 787.2523 2105.3312 1952.0742 99.0117 -206579.0676 17937.8045 0.0000 0.0000 34237.4773 -149460.1165 299.0044 -183697.5938 -149358.0337 299.0998 -12.7161 21.4118 557726.1952 1.7320 1.8190 PRESSURE: 1775600 74.9058 -82.2809 99.3135 -82.28 -94.5885 5.08917 99.315 5.09067 -260.697 GPRESSURE: 1775600 86.6223 -95.7071 150.745 -20.4973 -68.0096 -1.86191 110.832 6.04059 -201.817 PRESSAVG: 1775600 15.3856 -16.0128 25.2319 -16.0129 -19.8998 -36.9358 25.2319 -36.9359 25.7191 GPRESSAVG: 1775600 16.6223 -14.9261 26.7517 -16.0525 -21.5763 -36.588 26.3598 -38.381 26.877 TIMING: 1775600 CPU: 5354.33, 0.00302797/step Wall: 5354.33, 0.00302797/step, 2.71206 hours remaining, 208.085938 MB of memory in use. ENERGY: 1775600 694.1763 2038.0783 1957.7695 120.3097 -206060.2785 17519.2855 0.0000 0.0000 34069.1663 -149661.4930 297.5345 -183730.6593 -149559.7170 297.9577 -93.4601 -61.0681 557513.1698 7.0683 7.3077 PRESSURE: 1775800 127.713 -168.934 153.888 -168.934 -99.4899 -4.00145 153.888 -4.00155 -101.519 GPRESSURE: 1775800 147.59 -194.081 177.379 -154.283 -17.7474 1.21327 107.701 -34.6393 -111.671 PRESSAVG: 1775800 39.2736 10.7933 -28.2155 10.7933 -64.9726 5.99513 -28.2155 5.99511 26.2399 GPRESSAVG: 1775800 39.5017 11.5134 -26.6225 10.6952 -64.0209 7.67574 -28.7503 5.41562 24.9522 TIMING: 1775800 CPU: 5354.94, 0.00305361/step Wall: 5354.94, 0.00305361/step, 2.73485 hours remaining, 208.085938 MB of memory in use. ENERGY: 1775800 722.7026 2055.3867 1956.0785 98.2339 -206458.9329 17816.9904 0.0000 0.0000 34187.4075 -149622.1333 298.5671 -183809.5408 -149526.8352 298.6701 -24.4322 6.0574 557134.6675 0.1803 0.1443 PRESSURE: 1776000 -141.331 26.2195 -22.1255 26.2183 -184.066 -28.1391 -22.125 -28.1403 -177.961 GPRESSURE: 1776000 -95.4945 -36.8418 55.5752 35.2956 -200.989 -103.343 -101.613 10.6506 -101.761 PRESSAVG: 1776000 15.5483 3.96298 -12.6243 3.96292 6.18819 -3.95807 -12.6243 -3.95797 42.7327 GPRESSAVG: 1776000 14.8503 3.48421 -13.4869 6.83682 5.44931 -7.16409 -12.6202 -2.80757 44.7116 TIMING: 1776000 CPU: 5355.55, 0.00304714/step Wall: 5355.55, 0.00304714/step, 2.72889 hours remaining, 208.085938 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: 1776000 718.7247 2126.9651 1959.8481 119.6355 -205989.4820 17536.5256 0.0000 0.0000 33752.4254 -149775.3577 294.7683 -183527.7831 -149680.4727 297.9423 -167.7858 -132.7481 559383.6629 21.4897 21.6704 PRESSURE: 1776200 284.592 128.939 64.3057 128.939 17.3481 -2.50388 64.3048 -2.50405 -14.2653 GPRESSURE: 1776200 304.688 148.019 125.024 126.888 26.4525 31.2894 96.4569 -31.0358 50.2909 PRESSAVG: 1776200 51.3224 8.86828 -31.0217 8.8683 10.3358 22.4368 -31.0216 22.4367 -66.2445 GPRESSAVG: 1776200 50.5902 6.81026 -32.3581 8.1901 11.6254 25.4792 -29.8529 24.0667 -67.3006 TIMING: 1776200 CPU: 5356.16, 0.00304619/step Wall: 5356.16, 0.00304619/step, 2.72786 hours remaining, 208.085938 MB of memory in use. ENERGY: 1776200 719.6842 2045.7755 1920.5573 108.4642 -206620.4159 17871.0523 0.0000 0.0000 34308.5582 -149646.3242 299.6252 -183954.8824 -149549.4662 297.6735 95.8917 127.1437 556605.5992 -1.5288 -1.6950 LDB: ============= START OF LOAD BALANCING ============== 5359.68 LDB: ============== END OF LOAD BALANCING =============== 5359.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5359.68 LDB: ============= START OF LOAD BALANCING ============== 5359.99 LDB: Largest compute 4800 load 0.031310 is 26.5% of average load 0.118028 LDB: Average compute 0.001737 is 1.5% of average load 0.118028 LDB: TIME 5359.99 LOAD: AVG 0.118028 MAX 0.212683 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 5359.99 LOAD: AVG 0.118028 MAX 0.212683 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.305 MB LDB: TIME 5359.99 LOAD: AVG 0.118028 MAX 0.212683 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.305 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5359.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5360 PRESSURE: 1776400 38.644 -88.059 178.82 -88.0602 -90.3016 -80.7906 178.82 -80.7911 -146.949 GPRESSURE: 1776400 68.8285 -76.4974 174.763 -97.3137 -98.7968 -85.0237 150.033 -113.822 -90.8508 PRESSAVG: 1776400 1.96923 10.8408 20.4664 10.8407 -7.79399 -46.2904 20.4664 -46.2906 36.759 GPRESSAVG: 1776400 2.2919 12.576 22.4023 10.319 -8.93731 -46.0777 19.9155 -46.9848 37.3373 TIMING: 1776400 CPU: 5356.78, 0.00308719/step Wall: 5356.78, 0.00308719/step, 2.7644 hours remaining, 208.273438 MB of memory in use. ENERGY: 1776400 693.3550 2062.4396 1929.8758 114.7407 -206276.0796 17662.4074 0.0000 0.0000 34166.3872 -149646.8739 298.3836 -183813.2612 -149554.5720 297.7898 -66.2021 -40.2730 557762.9417 10.3114 10.2306 PRESSURE: 1776600 -107.586 -186.488 13.7797 -186.488 125.712 97.5878 13.7804 97.5876 129.004 GPRESSURE: 1776600 -72.3983 -288.304 -15.5255 -143.438 174.636 76.9594 12.6038 122.434 139.49 PRESSAVG: 1776600 -46.9324 20.5992 11.8932 20.5992 -40.9192 -59.6661 11.8932 -59.6662 32.5209 GPRESSAVG: 1776600 -46.9564 20.7397 10.2614 18.6656 -39.7762 -60.8164 12.6192 -60.5778 31.2599 TIMING: 1776600 CPU: 5357.39, 0.00303212/step Wall: 5357.39, 0.00303212/step, 2.71493 hours remaining, 208.273438 MB of memory in use. ENERGY: 1776600 727.1548 2080.1902 1931.5310 120.0375 -206579.6276 17953.9964 0.0000 0.0000 34180.7141 -149586.0036 298.5087 -183766.7177 -149489.2578 297.7401 49.0432 80.5761 556762.7753 -18.4436 -18.4909 PRESSURE: 1776800 -96.4426 35.1593 122.857 35.1588 -67.1645 -184.357 122.857 -184.356 19.9265 GPRESSURE: 1776800 -57.4538 18.2064 89.7039 123.062 -33.1866 -129.019 88.6787 -135.938 34.792 PRESSAVG: 1776800 -44.0084 -1.13872 -14.1309 -1.13874 -28.9648 -12.7263 -14.131 -12.7264 79.4944 GPRESSAVG: 1776800 -42.7547 -1.46158 -14.9991 1.3131 -30.2741 -11.4583 -13.7276 -12.2115 79.3806 TIMING: 1776800 CPU: 5357.99, 0.00303857/step Wall: 5357.99, 0.00303857/step, 2.72053 hours remaining, 208.273438 MB of memory in use. ENERGY: 1776800 744.2030 2043.2426 1933.5568 110.6145 -206299.7610 17598.5324 0.0000 0.0000 34055.0253 -149814.5864 297.4110 -183869.6118 -149712.6698 297.8086 -47.8935 -18.6161 556480.8958 2.1737 2.1173 PRESSURE: 1777000 30.6499 144.155 -62.4753 144.155 -1.95489 -34.9356 -62.4739 -34.9363 -160.108 GPRESSURE: 1777000 46.6958 204.484 -104.718 156.083 53.6116 -84.4924 -102.254 -34.1375 -136.847 PRESSAVG: 1777000 27.7551 -8.59484 -59.6427 -8.59502 -40.1283 9.85747 -59.6427 9.85737 16.6752 GPRESSAVG: 1777000 26.7485 -7.03216 -57.0507 -11.4132 -38.7551 7.09445 -61.4426 11.0601 16.5128 TIMING: 1777000 CPU: 5358.6, 0.00300627/step Wall: 5358.6, 0.00300627/step, 2.69145 hours remaining, 208.273438 MB of memory in use. ENERGY: 1777000 723.7681 2092.9477 1898.2064 112.0527 -206041.4678 17630.2724 0.0000 0.0000 33831.1394 -149753.0812 295.4558 -183584.2206 -149662.4105 296.9471 -43.8043 -12.1798 556424.1595 1.4340 1.5021 PRESSURE: 1777200 162.487 -70.4435 72.2252 -70.4449 20.1992 -35.7274 72.2237 -35.7275 206.011 GPRESSURE: 1777200 238.174 -51.2449 96.4117 -116.256 71.4391 -124.256 81.5179 -23.7959 169.951 PRESSAVG: 1777200 -0.540043 2.45196 -20.4737 2.45199 28.2099 2.7398 -20.4738 2.73988 -24.9421 GPRESSAVG: 1777200 -0.807999 0.575177 -20.6536 3.81164 28.5851 2.99527 -20.1852 0.780403 -25.3352 TIMING: 1777200 CPU: 5359.2, 0.0030211/step Wall: 5359.2, 0.0030211/step, 2.70456 hours remaining, 208.273438 MB of memory in use. ENERGY: 1777200 703.3261 2057.9422 1959.4296 108.1862 -206897.3804 18145.1190 0.0000 0.0000 34231.3225 -149692.0548 298.9507 -183923.3773 -149596.2863 297.3877 129.5658 159.8549 557303.1034 0.9092 0.8140 PRESSURE: 1777400 126.58 -56.3187 -5.19448 -56.319 17.0423 -119.963 -5.19551 -119.963 -117.332 GPRESSURE: 1777400 86.891 -110.506 56.8875 -61.8674 106.225 -189.705 -47.439 -45.7407 -77.0473 PRESSAVG: 1777400 37.2289 -27.1122 15.6228 -27.1122 -61.078 -46.8247 15.6227 -46.8248 16.3376 GPRESSAVG: 1777400 37.7214 -25.7222 13.7745 -28.6641 -61.0314 -45.6045 17.102 -46.028 15.8414 TIMING: 1777400 CPU: 5359.81, 0.00302796/step Wall: 5359.81, 0.00302796/step, 2.71053 hours remaining, 208.273438 MB of memory in use. ENERGY: 1777400 730.2578 2069.5305 1937.7336 108.4789 -206405.9142 17830.2653 0.0000 0.0000 34037.3553 -149692.2927 297.2567 -183729.6480 -149593.5321 297.6505 8.7632 38.6895 557777.6447 -2.5039 -2.4896 PRESSURE: 1777600 246.335 -125.306 18.9297 -125.307 69.3296 169.078 18.9296 169.076 97.7064 GPRESSURE: 1777600 225.469 -61.4151 0.874719 -192.896 87.741 202.492 120.736 80.2766 184.273 PRESSAVG: 1777600 -7.6669 36.0305 25.8671 36.0306 -0.421473 -42.7961 25.867 -42.796 40.2728 GPRESSAVG: 1777600 -8.23697 35.7966 25.2798 35.1021 -0.0881325 -42.4495 24.9236 -43.0287 41.3013 TIMING: 1777600 CPU: 5360.41, 0.00303203/step Wall: 5360.41, 0.00303203/step, 2.714 hours remaining, 208.273438 MB of memory in use. ENERGY: 1777600 727.3194 2095.0313 1916.7097 114.5797 -206500.5321 17980.5202 0.0000 0.0000 33987.1957 -149679.1761 296.8186 -183666.3719 -149580.8821 297.6812 137.7901 165.8277 556982.4896 10.7281 10.9921 PRESSURE: 1777800 146.395 13.7602 75.7526 13.7597 -132.881 160.746 75.752 160.747 195.629 GPRESSURE: 1777800 201.948 -14.7855 131.296 62.9943 -89.8931 89.6773 28.4172 178.506 188.951 PRESSAVG: 1777800 -16.1539 -45.5147 -16.4186 -45.5148 -87.3647 -48.8209 -16.4187 -48.8208 80.9671 GPRESSAVG: 1777800 -13.7291 -43.4468 -15.2902 -45.0991 -89.0314 -47.9623 -15.8066 -49.9697 80.2196 TIMING: 1777800 CPU: 5361.02, 0.00302388/step Wall: 5361.02, 0.00302388/step, 2.70654 hours remaining, 208.273438 MB of memory in use. ENERGY: 1777800 732.1573 2111.5171 1950.9612 104.7180 -206499.0034 17997.4986 0.0000 0.0000 34083.5005 -149518.6508 297.6597 -183602.1512 -149423.8911 298.3060 69.7146 100.3352 558625.2964 -7.5172 -7.5136 PRESSURE: 1778000 246.647 132.118 92.246 132.118 -58.5828 -78.2277 92.245 -78.2284 102.705 GPRESSURE: 1778000 287.776 129.667 109.506 158.609 -56.3506 -23.258 82.9268 -44.6526 145.38 PRESSAVG: 1778000 20.1591 9.39361 14.6553 9.39369 -70.8705 -45.2959 14.6553 -45.2958 10.2944 GPRESSAVG: 1778000 18.4245 7.77371 12.1678 11.2252 -70.476 -46.9694 15.6583 -42.2911 11.9907 TIMING: 1778000 CPU: 5361.62, 0.00303335/step Wall: 5361.62, 0.00303335/step, 2.71485 hours remaining, 208.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1778000 749.7169 2142.9413 1945.2338 104.5680 -206091.6854 17843.0071 0.0000 0.0000 33822.4892 -149483.7292 295.3802 -183306.2183 -149388.4079 298.3280 96.9232 125.6018 557582.5772 -13.4723 -13.3536 PRESSURE: 1778200 -141.954 76.1181 36.0876 76.1186 28.3442 75.391 36.0879 75.392 31.4631 GPRESSURE: 1778200 -152.232 170.445 42.193 10.7109 130.587 185.624 121.385 134.395 48.9794 PRESSAVG: 1778200 2.51107 14.9669 -19.1056 14.9669 17.3758 -5.54466 -19.1056 -5.54458 21.6503 GPRESSAVG: 1778200 3.35283 15.271 -18.6112 11.5025 17.434 -6.45155 -20.1008 -5.34441 20.9433 TIMING: 1778200 CPU: 5362.23, 0.00301082/step Wall: 5362.23, 0.00301082/step, 2.69452 hours remaining, 208.273438 MB of memory in use. ENERGY: 1778200 744.6285 2099.4187 1920.4770 110.0748 -206389.1581 17804.4548 0.0000 0.0000 34235.9177 -149474.1865 298.9908 -183710.1042 -149376.6284 298.9233 -27.3823 9.1115 556746.0837 13.8457 13.9101 PRESSURE: 1778400 -18.9209 -168.847 -21.202 -168.847 110.853 0.492155 -21.202 0.493173 -149.629 GPRESSURE: 1778400 24.0807 -209.703 -51.7749 -50.0954 119.219 -14.2138 3.63169 -2.99683 -95.3967 PRESSAVG: 1778400 2.19615 29.4415 -23.5294 29.4414 -39.887 -2.41629 -23.5294 -2.41626 24.1948 GPRESSAVG: 1778400 2.50818 28.7123 -22.122 32.0546 -38.8449 -0.0703805 -23.3749 -5.08393 23.2087 TIMING: 1778400 CPU: 5362.83, 0.00300252/step Wall: 5362.83, 0.00300252/step, 2.68692 hours remaining, 208.273438 MB of memory in use. ENERGY: 1778400 737.4427 2116.9884 1934.9470 113.2311 -206261.4883 17754.1354 0.0000 0.0000 34396.6782 -149208.0655 300.3947 -183604.7437 -149112.8554 298.7001 -19.2326 15.9675 556821.0648 -4.4987 -4.3760 PRESSURE: 1778600 -76.3175 -33.7544 -70.337 -33.7532 -354.566 -37.7402 -70.3372 -37.7401 -206.831 GPRESSURE: 1778600 -97.9141 -128.143 -113.416 -14.4244 -363.36 -106.915 -36.0374 6.77337 -75.2657 PRESSAVG: 1778600 20.6357 18.9189 -24.8298 18.9189 4.64083 -48.4037 -24.8298 -48.4037 15.2887 GPRESSAVG: 1778600 22.8166 18.5482 -25.5404 19.0303 1.36129 -50.4517 -24.2567 -46.5434 16.8359 TIMING: 1778600 CPU: 5363.43, 0.00300949/step Wall: 5363.43, 0.00300949/step, 2.69299 hours remaining, 208.273438 MB of memory in use. ENERGY: 1778600 747.1009 2143.2587 1939.6773 117.0913 -206153.9835 17573.7529 0.0000 0.0000 34424.3249 -149208.7775 300.6362 -183633.1024 -149121.4309 299.6988 -212.5714 -178.8464 558030.7272 13.5218 13.6713 PRESSURE: 1778800 -157.893 9.47864 -68.4119 9.47965 -58.4849 37.6065 -68.4116 37.6073 108.283 GPRESSURE: 1778800 -93.493 -58.6845 -116.232 33.2619 -19.8547 51.8278 -21.3084 72.9383 110.605 PRESSAVG: 1778800 46.0651 48.4363 86.4242 48.4363 -44.8826 -34.7521 86.4242 -34.7522 15.6531 GPRESSAVG: 1778800 43.0435 45.752 86.3675 52.1092 -42.2111 -33.4907 85.3516 -36.7822 15.8634 TIMING: 1778800 CPU: 5364.03, 0.0030225/step Wall: 5364.03, 0.0030225/step, 2.70447 hours remaining, 208.273438 MB of memory in use. ENERGY: 1778800 747.1746 2128.5576 1928.1600 99.3375 -205890.0947 17575.0418 0.0000 0.0000 34216.6588 -149195.1644 298.8226 -183411.8232 -149091.4043 299.8377 -36.0316 -0.9141 557624.4749 5.6119 5.5653 PRESSURE: 1779000 87.1326 -133.949 105.726 -133.949 -84.1466 182.44 105.727 182.44 78.7786 GPRESSURE: 1779000 130.919 -154.658 137.004 -118.468 2.65637 127.484 115.038 225.71 30.004 PRESSAVG: 1779000 -34.6121 6.77488 32.5567 6.7748 -11.8136 -63.8699 32.5568 -63.8699 13.3452 GPRESSAVG: 1779000 -33.1845 6.92219 33.2697 5.50174 -12.6815 -64.9049 33.3245 -62.0394 12.925 TIMING: 1779000 CPU: 5364.63, 0.0030079/step Wall: 5364.63, 0.0030079/step, 2.69123 hours remaining, 208.273438 MB of memory in use. ENERGY: 1779000 739.6570 2133.5055 1948.1236 106.8816 -206058.9173 17776.4862 0.0000 0.0000 34297.0007 -149057.2629 299.5242 -183354.2635 -148956.5266 299.6280 27.2548 54.5264 557433.6898 -11.0268 -10.9803 PRESSURE: 1779200 8.62186 -193.915 83.2654 -193.915 85.1803 102.113 83.2651 102.113 229.639 GPRESSURE: 1779200 27.4342 -163.848 70.5764 -232.548 131.941 141.271 87.0882 88.4758 268.53 PRESSAVG: 1779200 -8.69445 -16.1738 3.02012 -16.1738 -20.2288 -16.5636 3.02013 -16.5635 41.1973 GPRESSAVG: 1779200 -9.04262 -14.9534 3.48343 -18.9204 -18.9456 -15.751 2.0844 -18.8788 40.8127 TIMING: 1779200 CPU: 5365.24, 0.00301551/step Wall: 5365.24, 0.00301551/step, 2.69788 hours remaining, 208.476562 MB of memory in use. ENERGY: 1779200 699.7201 2114.7306 1944.7695 114.2067 -206067.9276 17825.6816 0.0000 0.0000 34390.7839 -148978.0352 300.3433 -183368.8191 -148884.4232 299.9831 107.8137 142.6353 557694.8964 4.0914 4.2748 PRESSURE: 1779400 337.915 -127.149 57.4036 -127.148 1.31345 -91.7841 57.4029 -91.7839 299.68 GPRESSURE: 1779400 379.444 -157.386 67.4032 -84.2529 45.1778 -65.0857 10.5805 -81.9814 311.35 PRESSAVG: 1779400 -51.7079 -22.968 -42.0571 -22.968 -0.758509 -48.3422 -42.057 -48.3421 53.1208 GPRESSAVG: 1779400 -51.1319 -22.384 -44.5613 -20.8723 -1.89823 -47.2052 -39.5508 -47.8051 53.9442 TIMING: 1779400 CPU: 5365.84, 0.00301132/step Wall: 5365.84, 0.00301132/step, 2.69396 hours remaining, 208.476562 MB of memory in use. ENERGY: 1779400 742.2707 2114.2562 1918.0535 125.6382 -206455.7562 18130.9918 0.0000 0.0000 34372.5418 -149052.0040 300.1840 -183424.5458 -148954.5059 299.9925 212.9695 245.3239 557973.8636 0.2181 0.3047 PRESSURE: 1779600 34.9623 143.303 -17.1986 143.303 195.178 61.1745 -17.1992 61.1755 180.25 GPRESSURE: 1779600 43.3464 186.623 134.309 106.551 240.47 12.7116 -71.9498 48.88 212.215 PRESSAVG: 1779600 -37.5837 19.1681 34.6631 19.1681 10.3373 -7.34866 34.6631 -7.34862 59.6693 GPRESSAVG: 1779600 -37.8165 19.2895 37.1561 18.2975 10.4674 -9.23325 32.4258 -5.46791 59.2894 TIMING: 1779600 CPU: 5366.45, 0.00303904/step Wall: 5366.45, 0.00303904/step, 2.71859 hours remaining, 208.476562 MB of memory in use. ENERGY: 1779600 766.2774 2069.7517 1930.8847 115.2586 -206409.2331 18138.4735 0.0000 0.0000 34418.8469 -148969.7403 300.5884 -183388.5872 -148866.9342 299.1570 136.7966 165.3439 558175.0870 10.8076 10.6468 PRESSURE: 1779800 -161.151 2.14876 -9.41033 2.14689 -36.424 71.29 -9.41048 71.292 217.91 GPRESSURE: 1779800 -134.884 7.76093 1.43706 -10.6305 36.2086 132.337 5.83834 71.1911 206.134 PRESSAVG: 1779800 -0.303552 12.3625 23.0914 12.3624 -0.63583 6.87219 23.0914 6.87226 -2.98403 GPRESSAVG: 1779800 -1.21588 13.8936 22.5421 11.524 -0.276169 7.01207 23.9486 5.32709 -2.41564 TIMING: 1779800 CPU: 5367.05, 0.00300049/step Wall: 5367.05, 0.00300049/step, 2.68394 hours remaining, 208.476562 MB of memory in use. ENERGY: 1779800 742.5235 2122.0199 1960.1119 106.7013 -206052.5336 17692.8775 0.0000 0.0000 34444.4461 -148983.8533 300.8119 -183428.2994 -148888.8572 299.8583 6.7786 35.8196 558168.5676 -1.3078 -1.3026 PRESSURE: 1780000 -38.4505 42.4271 50.0778 42.4294 157.325 -27.9168 50.0778 -27.9191 -193.015 GPRESSURE: 1780000 -45.6921 27.5925 -11.5952 124.657 196.537 -31.1062 22.2959 -30.3447 -119.518 PRESSAVG: 1780000 -15.9381 36.8452 -12.1527 36.8452 -15.268 -10.7181 -12.1526 -10.7182 10.4485 GPRESSAVG: 1780000 -14.8659 34.683 -11.5359 36.3545 -15.3796 -11.9983 -12.3846 -7.12416 9.68299 TIMING: 1780000 CPU: 5367.65, 0.00299885/step Wall: 5367.65, 0.00299885/step, 2.68231 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: 1780000 758.8391 2142.6715 1910.6087 115.0139 -205912.9759 17770.7347 0.0000 0.0000 34291.4227 -148923.6854 299.4755 -183215.1081 -148824.5789 300.0384 -24.7135 10.4422 559229.0384 -6.9192 -6.8542 PRESSURE: 1780200 44.0395 -27.9674 27.1371 -27.9675 -222.648 113.802 27.1363 113.802 -151.56 GPRESSURE: 1780200 47.4768 -12.7346 2.87953 14.5694 -177.434 82.0626 26.3814 172.401 -104.189 PRESSAVG: 1780200 -44.7012 1.84079 -22.0868 1.84073 -31.5892 11.8851 -22.0868 11.885 83.2122 GPRESSAVG: 1780200 -45.1307 3.76859 -25.6081 2.26892 -31.571 11.6601 -20.5541 10.8017 83.5046 TIMING: 1780200 CPU: 5368.25, 0.00302527/step Wall: 5368.25, 0.00302527/step, 2.70577 hours remaining, 208.476562 MB of memory in use. ENERGY: 1780200 747.7709 2121.2246 1903.6205 108.2009 -206006.7458 17711.1969 0.0000 0.0000 34237.3929 -149177.3392 299.0037 -183414.7320 -149077.8092 299.2184 -110.0561 -78.0485 558438.1887 2.3073 2.2676 LDB: ============= START OF LOAD BALANCING ============== 5371.77 LDB: ============== END OF LOAD BALANCING =============== 5371.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5371.77 LDB: ============= START OF LOAD BALANCING ============== 5372.07 LDB: Largest compute 4800 load 0.031494 is 26.7% of average load 0.117964 LDB: Average compute 0.001737 is 1.5% of average load 0.117964 LDB: TIME 5372.07 LOAD: AVG 0.117964 MAX 0.209794 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.848 MB LDB: TIME 5372.07 LOAD: AVG 0.117964 MAX 0.209794 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.051 MB LDB: TIME 5372.07 LOAD: AVG 0.117964 MAX 0.209794 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.051 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5372.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5372.08 PRESSURE: 1780400 -23.0514 15.0543 -166.415 15.0548 -174.466 102.836 -166.414 102.838 -99.0638 GPRESSURE: 1780400 -11.6685 -3.69803 -183.559 -65.1825 -98.5447 143.575 -165.118 105.768 -88.1367 PRESSAVG: 1780400 -97.203 12.3029 0.291043 12.303 12.0611 16.1028 0.291047 16.1028 48.2884 GPRESSAVG: 1780400 -98.1724 10.7507 2.90026 13.2342 11.9283 17.2553 0.643226 14.4557 49.2908 TIMING: 1780400 CPU: 5368.86, 0.00305056/step Wall: 5368.86, 0.00305056/step, 2.72822 hours remaining, 209.816406 MB of memory in use. ENERGY: 1780400 721.9434 2091.7518 1935.8504 93.4958 -205813.1852 17643.6889 0.0000 0.0000 34172.9592 -149153.4955 298.4410 -183326.4548 -149057.8128 299.2798 -98.8603 -66.1166 558447.1331 -12.2845 -12.3178 PRESSURE: 1780600 -269.352 24.2886 7.99229 24.2875 -151.018 -62.972 7.99225 -62.9729 -110.981 GPRESSURE: 1780600 -199.757 72.9976 -24.1451 -3.77997 -141.142 -139.254 22.7608 -17.2447 -104.548 PRESSAVG: 1780600 -37.9244 16.6722 -41.2772 16.6722 -25.492 8.39237 -41.2772 8.39229 65.8002 GPRESSAVG: 1780600 -37.2458 17.1951 -40.2627 17.3546 -24.9047 8.80553 -44.1139 9.02728 64.7402 TIMING: 1780600 CPU: 5369.46, 0.00299516/step Wall: 5369.46, 0.00299516/step, 2.67851 hours remaining, 209.886719 MB of memory in use. ENERGY: 1780600 782.0661 2074.5751 1938.8741 107.5603 -205767.9440 17625.9905 0.0000 0.0000 34208.8914 -149029.9866 298.7548 -183238.8780 -148933.6653 299.7228 -177.1167 -148.4826 559192.2431 0.7946 0.8632 PRESSURE: 1780800 -72.443 -29.6487 152.511 -29.6486 91.272 69.4613 152.511 69.4623 -3.93031 GPRESSURE: 1780800 -48.5955 -36.4301 50.6283 -33.0298 134.427 92.9397 215.636 52.9992 47.9388 PRESSAVG: 1780800 24.1998 -20.5352 -23.7653 -20.5352 -48.6368 -32.5943 -23.7653 -32.5942 21.6831 GPRESSAVG: 1780800 23.7136 -19.8566 -24.154 -22.0625 -48.374 -32.7223 -23.5533 -32.0112 22.4398 TIMING: 1780800 CPU: 5370.05, 0.00296817/step Wall: 5370.05, 0.00296817/step, 2.65421 hours remaining, 209.886719 MB of memory in use. ENERGY: 1780800 698.0766 2146.0782 1915.7881 125.6013 -205706.7186 17646.7175 0.0000 0.0000 34231.5522 -148942.9048 298.9527 -183174.4570 -148842.4994 299.0050 4.9662 44.5900 558295.9880 -0.9180 -0.7402 PRESSURE: 1781000 -50.8508 33.855 -23.8322 33.8554 -67.4467 -158.199 -23.8318 -158.196 90.1576 GPRESSURE: 1781000 -14.5525 86.7196 62.551 22.6641 -55.1694 -141.511 -125.645 -63.7609 147.545 PRESSAVG: 1781000 27.0153 21.0343 -12.2183 21.0343 -17.2435 18.4934 -12.2184 18.4933 5.61827 GPRESSAVG: 1781000 27.3936 20.0288 -12.964 23.186 -18.2775 18.4272 -11.6906 17.0139 6.26029 TIMING: 1781000 CPU: 5370.65, 0.00295575/step Wall: 5370.65, 0.00295575/step, 2.64293 hours remaining, 209.886719 MB of memory in use. ENERGY: 1781000 749.4888 2101.4618 1905.2505 112.1382 -205992.2560 17795.9345 0.0000 0.0000 34178.7476 -149149.2346 298.4915 -183327.9823 -149060.8477 299.2346 -9.3799 25.9411 558592.3799 5.1300 5.1255 PRESSURE: 1781200 -175.195 313.556 -3.72949 313.556 -150.029 11.241 -3.72891 11.2412 -88.4423 GPRESSURE: 1781200 -112.19 256.841 -7.21382 340.223 -125.726 47.746 -4.1557 10.3557 -68.7562 PRESSAVG: 1781200 -2.69314 35.2332 12.8087 35.2331 -15.7827 -13.1092 12.8087 -13.1091 1.43732 GPRESSAVG: 1781200 -2.73062 36.7164 11.9122 32.9686 -15.4893 -12.1474 13.5179 -13.2708 0.926294 TIMING: 1781200 CPU: 5371.25, 0.00299768/step Wall: 5371.25, 0.00299768/step, 2.68026 hours remaining, 209.886719 MB of memory in use. ENERGY: 1781200 739.0723 2140.5388 1900.7904 120.7925 -205868.5808 17616.0464 0.0000 0.0000 34289.1306 -149062.2099 299.4555 -183351.3405 -148968.2731 299.2200 -137.8885 -102.2241 558777.5198 -5.6795 -5.7646 PRESSURE: 1781400 113.984 -37.6714 153.23 -37.6718 -51.899 -41.0244 153.23 -41.0239 46.6633 GPRESSURE: 1781400 180.96 -22.1501 106.128 -126.52 -50.5115 -74.1197 134.147 -3.12205 64.7818 PRESSAVG: 1781400 6.31765 14.627 29.9301 14.6271 -97.2576 8.03782 29.93 8.03791 61.5954 GPRESSAVG: 1781400 6.34464 13.3467 28.5923 15.0346 -97.3285 6.80344 29.281 9.25352 61.3001 TIMING: 1781400 CPU: 5371.85, 0.00302633/step Wall: 5371.85, 0.00302633/step, 2.70571 hours remaining, 209.886719 MB of memory in use. ENERGY: 1781400 737.8817 2122.5782 1930.7442 116.3675 -206255.8500 17831.6833 0.0000 0.0000 34370.0963 -149146.4988 300.1626 -183516.5951 -149046.5743 300.2011 36.2496 65.0766 558059.5233 -9.7815 -9.8946 PRESSURE: 1781600 -112.207 -168.091 -124.531 -168.092 194.885 36.6944 -124.53 36.6939 89.9314 GPRESSURE: 1781600 -108.095 -90.7114 -123.903 -182.929 254.299 -41.0745 -109.089 120.309 119.598 PRESSAVG: 1781600 -3.83396 -21.4656 25.5483 -21.4656 -39.922 -37.9973 25.5483 -37.9973 62.0153 GPRESSAVG: 1781600 -4.28877 -19.8019 26.2776 -21.7268 -40.6216 -37.5609 26.1656 -40.1066 63.0942 TIMING: 1781600 CPU: 5372.46, 0.00302171/step Wall: 5372.46, 0.00302171/step, 2.7014 hours remaining, 209.886719 MB of memory in use. ENERGY: 1781600 735.1644 2101.1442 1923.3454 97.3918 -206238.2879 17912.0339 0.0000 0.0000 34281.5434 -149187.6648 299.3892 -183469.2082 -149089.9458 299.6642 57.5365 88.6009 558765.2099 6.0864 6.0613 PRESSURE: 1781800 -33.8631 137.579 -177.169 137.58 3.60162 210.717 -177.17 210.716 -0.982943 GPRESSURE: 1781800 -52.5586 210.437 -187.627 168.689 71.1712 255.959 -78.0228 222.365 39.3518 PRESSAVG: 1781800 -26.8863 -6.53814 -30.3896 -6.53806 68.5311 32.0379 -30.3896 32.0379 -15.8379 GPRESSAVG: 1781800 -27.3811 -7.16856 -29.783 -4.78469 69.0231 31.8281 -29.2017 34.3275 -15.2178 TIMING: 1781800 CPU: 5373.06, 0.00302022/step Wall: 5373.06, 0.00302022/step, 2.69991 hours remaining, 209.886719 MB of memory in use. ENERGY: 1781800 762.8310 2086.5232 1934.4012 119.5532 -206249.8766 17775.7091 0.0000 0.0000 34556.7436 -149014.1154 301.7926 -183570.8590 -148912.0647 299.3243 -10.4148 19.3215 557036.4878 8.6023 8.8081 PRESSURE: 1782000 15.8446 -35.6758 -75.6086 -35.6757 -220.53 -32.0535 -75.6098 -32.055 82.6181 GPRESSURE: 1782000 33.0078 -9.50204 -48.1482 -49.1588 -140.438 -47.0634 -50.5102 3.22926 89.9424 PRESSAVG: 1782000 -20.8332 19.6188 -39.4448 19.6188 3.64051 -24.2959 -39.4448 -24.296 28.9129 GPRESSAVG: 1782000 -19.8745 18.1161 -38.0889 18.5778 3.55268 -24.8471 -40.9916 -25.612 27.9426 TIMING: 1782000 CPU: 5373.66, 0.00301499/step Wall: 5373.66, 0.00301499/step, 2.69507 hours remaining, 209.886719 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: 1782000 739.3540 2105.2603 1924.1775 105.5730 -205478.3423 17510.3027 0.0000 0.0000 34179.5288 -148914.1460 298.4983 -183093.6748 -148818.7047 299.8564 -40.6890 -5.8294 557690.8005 3.9067 3.8736 PRESSURE: 1782200 46.1971 12.8054 -69.2065 12.8057 20.7716 35.0782 -69.2065 35.0789 7.5063 GPRESSURE: 1782200 126.791 62.0687 -78.5166 103.248 15.7728 117.912 -29.9847 20.395 23.4842 PRESSAVG: 1782200 47.3347 12.0768 -32.9263 12.0768 -3.25651 -23.1426 -32.9263 -23.1427 -30.6572 GPRESSAVG: 1782200 47.8507 12.7523 -35.0322 11.6244 -2.46271 -23.4982 -33.8473 -21.5408 -31.5059 TIMING: 1782200 CPU: 5374.26, 0.0030005/step Wall: 5374.26, 0.0030005/step, 2.68194 hours remaining, 209.886719 MB of memory in use. ENERGY: 1782200 718.9649 2051.5943 1917.2044 114.4474 -205910.9376 17557.8760 0.0000 0.0000 34423.7759 -149127.0748 300.6314 -183550.8507 -149027.4682 300.1719 24.8250 55.3492 556156.9713 4.4736 4.6274 PRESSURE: 1782400 122.707 -42.7217 57.5852 -42.7232 11.9979 -126.096 57.585 -126.097 -352.113 GPRESSURE: 1782400 92.2283 -20.3054 123.257 -123.531 58.9834 -108.466 89.1424 -102.237 -270.409 PRESSAVG: 1782400 59.9571 -26.9656 -11.1237 -26.9656 -39.2158 -30.1808 -11.1237 -30.1808 -38.1816 GPRESSAVG: 1782400 59.0378 -25.4226 -12.4111 -28.016 -39.2073 -31.3824 -8.76646 -31.2619 -37.2274 TIMING: 1782400 CPU: 5374.86, 0.00298531/step Wall: 5374.86, 0.00298531/step, 2.6682 hours remaining, 209.886719 MB of memory in use. ENERGY: 1782400 727.8954 2102.4662 1939.5972 116.4602 -206069.1958 17592.8174 0.0000 0.0000 34506.1949 -149083.7645 301.3512 -183589.9594 -148982.1334 299.8546 -72.4692 -39.7324 555617.2701 -5.8134 -5.7990 PRESSURE: 1782600 -79.2098 -12.6354 12.5094 -12.6352 -189.088 -113.976 12.51 -113.977 -118.116 GPRESSURE: 1782600 -12.4269 -22.8815 86.666 -2.78989 -206.081 -96.9338 -68.4397 -61.2548 -63.0058 PRESSAVG: 1782600 -16.3766 19.1056 -37.098 19.1055 4.46769 -28.4903 -37.0979 -28.4903 4.37969 GPRESSAVG: 1782600 -16.4956 17.8503 -35.0265 19.4555 3.97896 -26.356 -39.1179 -26.7174 5.01979 TIMING: 1782600 CPU: 5375.46, 0.00299337/step Wall: 5375.46, 0.00299337/step, 2.67524 hours remaining, 209.957031 MB of memory in use. ENERGY: 1782600 743.1403 2068.2856 1925.6154 110.8407 -205870.9860 17491.3969 0.0000 0.0000 34361.0851 -149170.6220 300.0839 -183531.7071 -149071.9347 299.5956 -128.8045 -93.8379 556267.1121 -2.5097 -2.4990 PRESSURE: 1782800 25.9061 -113.712 -17.2884 -113.712 -29.0741 -91.2994 -17.2877 -91.2993 358.707 GPRESSURE: 1782800 62.8053 -149.893 95.9285 -49.2766 24.1727 -9.19016 -27.0898 -123.027 362.734 PRESSAVG: 1782800 10.5376 -44.0864 -32.5617 -44.0864 -10.9682 -30.483 -32.5617 -30.4831 25.9957 GPRESSAVG: 1782800 11.1514 -43.9389 -33.3007 -44.2684 -11.728 -29.393 -31.755 -31.7632 25.9196 TIMING: 1782800 CPU: 5376.06, 0.00300223/step Wall: 5376.06, 0.00300223/step, 2.68299 hours remaining, 209.957031 MB of memory in use. ENERGY: 1782800 696.6394 2103.4591 1910.3836 110.7456 -206309.8335 17842.7121 0.0000 0.0000 34305.6219 -149340.2719 299.5995 -183645.8938 -149249.7101 299.0743 118.5131 149.9041 555197.3098 8.5217 8.4477 PRESSURE: 1783000 25.1836 -85.9792 58.6375 -85.9793 -22.0918 8.18103 58.6366 8.18065 -81.3071 GPRESSURE: 1783000 8.37903 -110.514 197.45 -113.869 30.1248 12.3996 -77.0649 -95.9471 -12.7321 PRESSAVG: 1783000 -49.2361 -35.1906 -0.748462 -35.1906 -2.35056 -21.8652 -0.748439 -21.8653 28.6995 GPRESSAVG: 1783000 -50.6226 -35.0922 -1.85448 -35.1746 -1.82088 -22.8209 -0.193695 -23.8377 29.3564 TIMING: 1783000 CPU: 5376.66, 0.00299036/step Wall: 5376.66, 0.00299036/step, 2.67222 hours remaining, 209.957031 MB of memory in use. ENERGY: 1783000 702.8448 2106.5525 1906.2361 121.1597 -206084.5729 17843.1211 0.0000 0.0000 34235.3703 -149169.2884 298.9860 -183404.6588 -149078.4920 298.9496 -26.0718 8.5906 557073.4584 -7.6291 -7.6957 PRESSURE: 1783200 -232.571 -48.8183 -42.1894 -48.8184 -39.1087 16.4258 -42.1896 16.4241 -340.868 GPRESSURE: 1783200 -207.76 -26.5 22.3262 -47.7482 23.0718 5.71277 -122.068 30.7967 -323.909 PRESSAVG: 1783200 -14.3797 -44.8186 -2.69911 -44.8187 -33.2441 -25.224 -2.69909 -25.2241 34.3893 GPRESSAVG: 1783200 -13.0953 -44.4308 -2.31255 -44.6352 -33.6004 -24.2245 -2.35589 -24.406 33.7739 TIMING: 1783200 CPU: 5377.26, 0.00302739/step Wall: 5377.26, 0.00302739/step, 2.70514 hours remaining, 209.957031 MB of memory in use. ENERGY: 1783200 765.6406 2113.1167 1940.6523 101.1692 -206008.6852 17673.0648 0.0000 0.0000 34193.5602 -149221.4814 298.6209 -183415.0416 -149121.1397 299.6953 -204.1827 -169.5325 557330.5602 -4.4115 -4.3073 PRESSURE: 1783400 -153.81 59.0034 -24.7693 59.0046 -206.498 -170.837 -24.7698 -170.838 -29.3888 GPRESSURE: 1783400 -97.3328 48.4586 -36.2198 86.9508 -167.392 -118.06 -10.7912 -131.962 -23.6041 PRESSAVG: 1783400 -14.4979 53.5391 -40.2079 53.5392 0.0779965 -52.3992 -40.2079 -52.3991 41.1423 GPRESSAVG: 1783400 -14.6567 52.7874 -38.9043 56.0399 -0.375543 -52.4437 -42.8805 -51.0543 41.5063 TIMING: 1783400 CPU: 5377.87, 0.00302319/step Wall: 5377.87, 0.00302319/step, 2.70122 hours remaining, 209.957031 MB of memory in use. ENERGY: 1783400 779.5761 2148.0037 1919.5678 102.5779 -205912.2035 17605.4698 0.0000 0.0000 33990.3872 -149366.6209 296.8465 -183357.0080 -149258.4551 299.2571 -129.8988 -96.1095 556698.8161 8.9075 8.8247 PRESSURE: 1783600 -3.4912 16.6246 164.234 16.6223 117.984 102.227 164.236 102.228 -299.404 GPRESSURE: 1783600 39.3155 74.579 201.193 -66.5741 121.065 67.5052 122.604 123.043 -246.065 PRESSAVG: 1783600 8.57449 20.4219 -27.6639 20.4219 79.3642 2.87187 -27.6638 2.87192 -52.364 GPRESSAVG: 1783600 8.38609 20.8614 -28.9266 17.5903 80.5292 1.73412 -26.5928 2.89882 -53.3016 TIMING: 1783600 CPU: 5378.47, 0.00299533/step Wall: 5378.47, 0.00299533/step, 2.67616 hours remaining, 209.957031 MB of memory in use. ENERGY: 1783600 719.9684 2032.3617 1915.1660 106.0438 -206157.9875 17646.6782 0.0000 0.0000 34162.9328 -149574.8366 298.3534 -183737.7694 -149476.2791 298.6743 -61.6370 -28.5615 557355.4852 11.8582 11.8712 PRESSURE: 1783800 38.1965 7.98788 94.5592 7.98747 -86.4695 -136.734 94.5583 -136.734 -147.878 GPRESSURE: 1783800 44.201 -42.8892 66.3164 -9.08126 -16.601 7.26854 67.2834 -171.73 -114.164 PRESSAVG: 1783800 40.8722 10.8569 0.352506 10.8569 40.594 -58.01 0.35241 -58.0101 -87.7944 GPRESSAVG: 1783800 41.029 12.0721 0.495178 11.1986 40.6538 -56.9573 1.60518 -57.3258 -87.7966 TIMING: 1783800 CPU: 5379.06, 0.00299533/step Wall: 5379.06, 0.00299533/step, 2.676 hours remaining, 209.957031 MB of memory in use. ENERGY: 1783800 739.3077 2121.8786 1919.4149 132.0679 -206157.9035 17711.1770 0.0000 0.0000 34073.9924 -149460.0650 297.5767 -183534.0574 -149366.1046 298.3239 -65.3838 -28.8547 557709.9634 -2.1094 -2.0379 PRESSURE: 1784000 -1.35553 135.253 -29.6014 135.253 16.8369 -27.5003 -29.6006 -27.5019 39.6949 GPRESSURE: 1784000 8.78289 92.5224 -3.09175 173.832 96.5631 -29.6292 -9.33599 28.9136 46.3086 PRESSAVG: 1784000 58.5341 27.9663 -51.7911 27.9662 0.75425 -19.7543 -51.7911 -19.7543 -39.6156 GPRESSAVG: 1784000 60.328 28.1977 -51.2806 27.052 -0.926893 -22.532 -52.922 -19.0963 -39.7912 TIMING: 1784000 CPU: 5379.67, 0.00301209/step Wall: 5379.67, 0.00301209/step, 2.6908 hours remaining, 209.957031 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: 1784000 725.9393 2139.0208 1927.0849 121.9903 -206453.1416 17790.1347 0.0000 0.0000 34354.0948 -149394.8768 300.0229 -183748.9716 -149291.2730 299.0839 18.3921 50.5516 555499.3813 6.5576 6.5366 PRESSURE: 1784200 -5.10179 -48.9201 -153.386 -48.9206 55.0077 229.833 -153.385 229.834 -75.6214 GPRESSURE: 1784200 33.9346 -62.8722 -134.933 -33.8437 82.8498 224.845 -152.45 183.897 -42.3557 PRESSAVG: 1784200 -11.4864 -39.4574 -9.70661 -39.4574 -8.90091 13.8197 -9.70659 13.8197 20.8757 GPRESSAVG: 1784200 -12.8664 -39.6923 -9.33752 -38.4371 -7.69984 16.9573 -9.82188 12.4705 21.3016 TIMING: 1784200 CPU: 5380.27, 0.0030016/step Wall: 5380.27, 0.0030016/step, 2.68126 hours remaining, 209.957031 MB of memory in use. ENERGY: 1784200 710.8275 2061.4401 1930.3751 118.7947 -206259.2055 17941.0575 0.0000 0.0000 34110.8297 -149385.8809 297.8984 -183496.7107 -149292.7825 298.6758 -8.5718 24.8096 559343.1337 0.1628 0.2451 LDB: ============= START OF LOAD BALANCING ============== 5383.78 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5383.78 LDB: =============== DONE WITH MIGRATION ================ 5383.79 LDB: ============= START OF LOAD BALANCING ============== 5384.09 LDB: Largest compute 4800 load 0.032352 is 27.4% of average load 0.117988 LDB: Average compute 0.001736 is 1.5% of average load 0.117988 LDB: TIME 5384.09 LOAD: AVG 0.117988 MAX 0.211702 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.145 MB LDB: TIME 5384.09 LOAD: AVG 0.117988 MAX 0.211702 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.145 MB LDB: TIME 5384.09 LOAD: AVG 0.117988 MAX 0.211702 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.145 MB LDB: ============== END OF LOAD BALANCING =============== 5384.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5384.1 PRESSURE: 1784400 -25.458 -202.638 -0.312771 -202.639 -167.328 -35.7054 -0.314004 -35.704 -37.3193 GPRESSURE: 1784400 -25.6217 -203.805 114.804 -128.079 -132.986 42.2636 -21.8482 -69.2896 22.1014 PRESSAVG: 1784400 47.8078 -19.974 -25.3167 -19.974 19.5343 1.39839 -25.3167 1.39826 -57.9083 GPRESSAVG: 1784400 48.4001 -21.2743 -25.82 -21.2469 18.5845 0.958214 -25.9502 -0.591343 -57.3205 TIMING: 1784400 CPU: 5380.88, 0.00305711/step Wall: 5380.88, 0.00305711/step, 2.73068 hours remaining, 209.816406 MB of memory in use. ENERGY: 1784400 724.8289 2054.3316 1913.4767 118.7412 -205953.2462 17682.1154 0.0000 0.0000 34068.3532 -149391.3993 297.5274 -183459.7524 -149305.9881 297.2642 -76.7016 -45.5020 558861.3374 3.1446 3.2214 PRESSURE: 1784600 -245.968 -12.7059 27.3689 -12.7065 20.4743 -287.56 27.3688 -287.56 -249.672 GPRESSURE: 1784600 -181.358 -92.6995 -6.28127 9.32311 32.1279 -244.133 -39.9501 -287.217 -223.25 PRESSAVG: 1784600 66.1922 -19.6353 11.3983 -19.6353 -66.2403 -25.2985 11.3982 -25.2984 -0.828487 GPRESSAVG: 1784600 66.3608 -19.3811 11.8943 -18.1752 -65.7385 -26.1344 12.362 -24.3379 -1.54382 TIMING: 1784600 CPU: 5381.48, 0.0030305/step Wall: 5381.48, 0.0030305/step, 2.70674 hours remaining, 209.886719 MB of memory in use. ENERGY: 1784600 750.7851 2081.0109 1949.4406 110.9992 -206206.6930 17750.2575 0.0000 0.0000 34283.8556 -149280.3441 299.4094 -183564.1997 -149184.5558 298.3224 -158.3885 -124.1600 559410.0801 -0.2922 -0.3072 PRESSURE: 1784800 -102.981 -56.5632 225.181 -56.5626 -127.268 85.2916 225.18 85.2928 102.557 GPRESSURE: 1784800 -51.8872 60.3685 282.166 -63.2236 -48.1725 88.6649 191.127 42.7166 83.5507 PRESSAVG: 1784800 17.8295 -20.0323 49.374 -20.0324 -55.7936 -32.8574 49.374 -32.8574 -23.8183 GPRESSAVG: 1784800 17.7132 -20.5851 49.4331 -20.0147 -56.3801 -33.2505 49.8214 -32.457 -23.3068 TIMING: 1784800 CPU: 5382.09, 0.00301496/step Wall: 5382.09, 0.00301496/step, 2.6927 hours remaining, 209.886719 MB of memory in use. ENERGY: 1784800 748.9981 2047.8652 1941.5274 119.8844 -206360.4943 17935.3022 0.0000 0.0000 34142.8504 -149424.0665 298.1780 -183566.9169 -149333.8860 298.8681 -42.5641 -5.5030 559300.4496 -20.5941 -20.6579 PRESSURE: 1785000 -64.9901 74.0983 -57.1643 74.0975 -369.026 -72.9597 -57.1637 -72.9592 -357.809 GPRESSURE: 1785000 -53.6688 157.072 -40.5508 87.9749 -367.34 -20.8412 -108.269 -133.478 -279.549 PRESSAVG: 1785000 75.5209 -30.5577 57.4852 -30.5577 -84.2342 -39.7387 57.4853 -39.7386 24.7049 GPRESSAVG: 1785000 74.1174 -29.6659 57.8875 -30.8482 -83.9952 -40.1145 57.3152 -37.9875 25.5385 TIMING: 1785000 CPU: 5382.69, 0.0030173/step Wall: 5382.69, 0.0030173/step, 2.69462 hours remaining, 209.886719 MB of memory in use. ENERGY: 1785000 747.0913 2031.8867 1918.4353 103.8592 -205920.6644 17517.9116 0.0000 0.0000 34046.6639 -149554.8164 297.3380 -183601.4803 -149461.5920 298.1765 -263.9419 -233.5193 559498.0962 5.3305 5.2202 PRESSURE: 1785200 -181.806 -32.4266 -41.4133 -32.4254 20.1526 69.1531 -41.4132 69.1541 29.8079 GPRESSURE: 1785200 -111.222 3.02831 52.7274 -96.3476 18.1233 76.2709 -108.652 123.694 54.6654 PRESSAVG: 1785200 84.2864 -7.19125 72.3803 -7.19119 -77.2174 -33.1753 72.3802 -33.1752 26.8954 GPRESSAVG: 1785200 85.2745 -6.68459 71.36 -7.65606 -78.132 -32.64 73.6209 -33.1317 26.3579 TIMING: 1785200 CPU: 5383.29, 0.00301361/step Wall: 5383.29, 0.00301361/step, 2.69115 hours remaining, 209.886719 MB of memory in use. ENERGY: 1785200 757.6948 2127.2726 1931.6711 107.7698 -206460.3117 17829.0904 0.0000 0.0000 33993.5459 -149713.2670 296.8741 -183706.8129 -149616.9327 298.0776 -43.9484 -12.8113 556464.8985 11.3215 11.1668 PRESSURE: 1785400 20.4947 -123.772 21.7703 -123.772 -158.949 39.0755 21.7701 39.0761 -153.84 GPRESSURE: 1785400 57.8677 -128.32 38.0525 -20.4186 -132.489 2.45347 42.6173 27.1861 -112.461 PRESSAVG: 1785400 58.1247 25.6856 -52.8002 25.6856 -19.3733 -0.549557 -52.8003 -0.549885 -31.142 GPRESSAVG: 1785400 56.8612 25.9461 -54.769 25.8997 -18.3619 0.143306 -52.554 -1.34019 -31.1182 TIMING: 1785400 CPU: 5383.91, 0.0030571/step Wall: 5383.91, 0.0030571/step, 2.72982 hours remaining, 209.886719 MB of memory in use. ENERGY: 1785400 707.5168 2052.5805 1928.6877 118.1891 -205995.9025 17595.8752 0.0000 0.0000 34032.9356 -149560.1177 297.2181 -183593.0533 -149461.5632 297.9193 -97.4313 -62.3611 556917.3589 2.5365 2.4604 PRESSURE: 1785600 44.3993 -96.3884 -115.157 -96.3884 -216.967 -65.9015 -115.158 -65.9025 17.477 GPRESSURE: 1785600 105.476 -87.8919 -141.859 -138.328 -187.067 -79.8182 -141.005 -93.3101 11.9632 PRESSAVG: 1785600 3.12017 -31.46 12.3185 -31.4601 -53.5697 10.7244 12.3185 10.7244 33.9129 GPRESSAVG: 1785600 3.45992 -32.9333 14.6088 -31.8122 -53.8088 9.84908 9.53269 10.0517 33.4431 TIMING: 1785600 CPU: 5384.52, 0.00305964/step Wall: 5384.52, 0.00305964/step, 2.73191 hours remaining, 209.886719 MB of memory in use. ENERGY: 1785600 755.0994 2073.5019 1931.8419 117.9646 -206116.0952 17669.7556 0.0000 0.0000 33896.3350 -149671.5968 296.0251 -183567.9318 -149576.2176 298.4473 -51.6970 -23.2091 555035.1573 -5.5122 -5.6352 PRESSURE: 1785800 83.0063 14.1914 -80.682 14.1931 -213.542 56.4651 -80.6835 56.4667 94.0747 GPRESSURE: 1785800 128.342 34.4897 -98.3777 -52.5495 -157.555 104.903 -104.317 -19.8878 89.6044 PRESSAVG: 1785800 56.5555 20.4374 -0.890458 20.4374 -71.7918 -37.8072 -0.89048 -37.8072 12.4294 GPRESSAVG: 1785800 57.3673 22.2739 -1.2484 18.9426 -73.0953 -37.7624 0.86512 -36.2133 12.703 TIMING: 1785800 CPU: 5385.12, 0.00303349/step Wall: 5385.12, 0.00303349/step, 2.7084 hours remaining, 209.886719 MB of memory in use. ENERGY: 1785800 757.6153 2102.1179 1932.2261 116.0590 -206506.5071 17815.8177 0.0000 0.0000 34074.0712 -149708.6000 297.5773 -183782.6712 -149614.9370 297.5746 -12.1537 20.1305 556565.8350 -0.9356 -1.0083 PRESSURE: 1786000 109.086 59.7829 -96.9893 59.7826 41.6715 -54.7591 -96.9888 -54.7572 -58.4276 GPRESSURE: 1786000 149.921 98.8749 -168.592 15.9998 56.1414 -36.9572 -84.8588 -25.8384 -24.3691 PRESSAVG: 1786000 63.2812 2.87974 -11.2342 2.87977 -18.5452 -45.0884 -11.2342 -45.0883 -43.3581 GPRESSAVG: 1786000 62.9727 2.0436 -12.929 3.83277 -18.405 -47.4689 -11.3552 -44.5849 -43.0887 TIMING: 1786000 CPU: 5385.74, 0.00305922/step Wall: 5385.74, 0.00305922/step, 2.7312 hours remaining, 209.953125 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: 1786000 716.4785 2084.2083 1932.6176 109.3874 -206521.4853 17773.4508 0.0000 0.0000 34105.2720 -149800.0707 297.8498 -183905.3428 -149701.5007 297.7471 30.7766 60.5643 555744.7985 0.4593 0.4930 PRESSURE: 1786200 -53.6 -67.9628 32.2225 -67.9632 -104.819 -69.1097 32.2226 -69.109 -133.265 GPRESSURE: 1786200 -73.8169 -89.9836 6.06511 -18.7391 -35.4307 -17.3557 146.687 -103.804 -90.7635 PRESSAVG: 1786200 -9.07007 23.2176 -0.0408724 23.2176 70.3353 -5.61355 -0.0409188 -5.61353 -77.3857 GPRESSAVG: 1786200 -9.33537 21.4642 1.6155 24.3419 69.4534 -2.1733 -1.38395 -7.0646 -77.0095 TIMING: 1786200 CPU: 5386.35, 0.00306618/step Wall: 5386.35, 0.00306618/step, 2.73725 hours remaining, 209.953125 MB of memory in use. ENERGY: 1786200 745.5511 2073.6371 1914.5822 112.4787 -206610.3663 17631.4203 0.0000 0.0000 34193.5442 -149939.1527 298.6207 -184132.6969 -149837.0559 297.6501 -97.2278 -66.6704 556213.6192 -5.3735 -5.6305 PRESSURE: 1786400 -82.4505 -57.8942 -53.3255 -57.895 -156.667 101.666 -53.326 101.666 -180.589 GPRESSURE: 1786400 -54.4479 -153.895 -41.8344 -9.26938 -150.366 138.496 -90.8683 61.0724 -124.74 PRESSAVG: 1786400 -41.571 -33.042 66.4072 -33.042 122.971 13.781 66.4073 13.781 -60.8592 GPRESSAVG: 1786400 -41.9567 -29.448 65.4278 -35.532 123.909 12.0487 65.7538 14.6045 -61.658 TIMING: 1786400 CPU: 5386.96, 0.00304212/step Wall: 5386.96, 0.00304212/step, 2.7156 hours remaining, 209.953125 MB of memory in use. ENERGY: 1786400 745.2580 2096.6926 1928.4809 112.1426 -206801.3433 17837.1591 0.0000 0.0000 34287.0046 -149794.6055 299.4369 -184081.6101 -149697.1838 297.4114 -139.9021 -109.8514 556851.6162 6.8469 6.7647 PRESSURE: 1786600 -198.198 41.2445 108.591 41.2464 70.2915 227.259 108.591 227.259 -157.426 GPRESSURE: 1786600 -148.103 117.197 150.284 97.984 92.1952 176.751 76.0326 250.408 -123.513 PRESSAVG: 1786600 -69.4016 -15.7231 26.4173 -15.7231 33.5275 29.3475 26.4173 29.3475 -15.3788 GPRESSAVG: 1786600 -68.7976 -17.4313 29.239 -13.9996 32.9082 30.0648 26.3321 28.4257 -15.8257 TIMING: 1786600 CPU: 5387.57, 0.00304887/step Wall: 5387.57, 0.00304887/step, 2.72146 hours remaining, 209.953125 MB of memory in use. ENERGY: 1786600 724.5102 2166.8838 1915.7550 103.5346 -206632.9192 17864.4208 0.0000 0.0000 34139.1326 -149718.6821 298.1455 -183857.8147 -149624.3764 298.0622 -95.1108 -59.8070 556196.4459 -17.0843 -17.2384 PRESSURE: 1786800 -41.0661 69.279 104.347 69.2792 81.3429 22.4778 104.348 22.4784 88.3581 GPRESSURE: 1786800 -4.84607 15.1507 101.622 102.986 135.199 0.979016 105.933 65.8775 93.1346 PRESSAVG: 1786800 -75.8087 5.94493 -0.111207 5.94487 20.6454 32.0759 -0.111201 32.0759 59.4468 GPRESSAVG: 1786800 -75.7581 4.43559 -1.0231 6.47836 21.2119 31.341 -0.776314 32.7091 58.84 TIMING: 1786800 CPU: 5388.18, 0.00306213/step Wall: 5388.18, 0.00306213/step, 2.73312 hours remaining, 209.953125 MB of memory in use. ENERGY: 1786800 743.0979 2105.0085 1944.9010 127.3361 -206854.0531 17876.5395 0.0000 0.0000 34167.3491 -149889.8210 298.3920 -184057.1701 -149794.6139 297.3097 42.8783 74.4957 556358.3884 1.4278 1.4313 PRESSURE: 1787000 -21.2247 -36.4417 108.549 -36.44 109.144 -33.0171 108.549 -33.0167 244.261 GPRESSURE: 1787000 23.501 40.6832 87.8968 -23.7158 125.905 36.9206 162.47 -113.668 289.068 PRESSAVG: 1787000 -27.5383 17.7053 10.7622 17.7052 31.4383 43.4812 10.7623 43.4812 22.6809 GPRESSAVG: 1787000 -28.0499 21.9972 11.8417 16.8451 32.1955 45.5418 12.4382 41.8412 23.1984 TIMING: 1787000 CPU: 5388.79, 0.00304988/step Wall: 5388.79, 0.00304988/step, 2.72202 hours remaining, 209.953125 MB of memory in use. ENERGY: 1787000 756.5570 2046.1047 1955.8626 96.5999 -206730.8874 17963.1144 0.0000 0.0000 34045.7122 -149866.9366 297.3297 -183912.6487 -149773.9970 297.9760 110.7270 146.1580 555513.9336 8.8603 9.1147 PRESSURE: 1787200 21.5843 132.96 -55.4287 132.96 80.5226 127.094 -55.4284 127.095 -259.788 GPRESSURE: 1787200 70.8545 188.379 -99.9774 -23.2071 97.3275 63.3544 -45.2523 104.577 -239.147 PRESSAVG: 1787200 -7.10043 10.7547 56.3623 10.7547 34.1537 24.4371 56.3624 24.4372 -33.7317 GPRESSAVG: 1787200 -7.12438 9.26254 54.8631 10.7659 33.64 22.0129 55.0187 26.7997 -33.7203 TIMING: 1787200 CPU: 5389.4, 0.00303065/step Wall: 5389.4, 0.00303065/step, 2.70469 hours remaining, 209.953125 MB of memory in use. ENERGY: 1787200 725.5273 2056.4409 1939.8999 100.7294 -206654.3491 17841.7757 0.0000 0.0000 34139.0159 -149850.9600 298.1445 -183989.9759 -149752.3846 298.3096 -52.5603 -23.6549 556575.8788 -2.2262 -2.4016 PRESSURE: 1787400 41.1516 180.831 -66.1618 180.832 -23.8748 -42.7355 -66.1621 -42.7352 -273.291 GPRESSURE: 1787400 66.6298 172.77 -92.6191 152.534 26.6095 -60.7026 -62.9064 -23.0202 -255.543 PRESSAVG: 1787400 6.12944 -51.6761 -5.92427 -51.6761 -27.5073 36.5343 -5.92431 36.5343 18.5535 GPRESSAVG: 1787400 5.74035 -51.9633 -4.16446 -51.3214 -27.6819 37.7998 -6.71912 36.2042 19.4643 TIMING: 1787400 CPU: 5390, 0.00303096/step Wall: 5390, 0.00303096/step, 2.7048 hours remaining, 209.953125 MB of memory in use. ENERGY: 1787400 758.5701 2073.2818 1945.6609 115.7568 -206493.4396 17845.2068 0.0000 0.0000 34049.7878 -149705.1755 297.3653 -183754.9632 -149609.6545 298.1686 -85.3382 -54.1012 558345.2767 -0.9415 -0.8258 PRESSURE: 1787600 -120.975 12.1475 86.4085 12.1469 -433.359 67.9756 86.4072 67.9759 -348.382 GPRESSURE: 1787600 -69.4382 -19.3015 154.864 -19.6174 -382.665 -9.80707 60.123 117.756 -348.791 PRESSAVG: 1787600 -63.0811 -0.0775221 -20.7717 -0.0774753 39.4316 48.256 -20.7717 48.2559 12.0769 GPRESSAVG: 1787600 -64.1138 -0.905645 -22.8201 0.706909 40.2061 49.1075 -18.454 45.7413 12.062 TIMING: 1787600 CPU: 5390.6, 0.0030074/step Wall: 5390.6, 0.0030074/step, 2.68361 hours remaining, 209.953125 MB of memory in use. ENERGY: 1787600 759.3595 2070.1206 1938.1156 129.9997 -206221.6407 17582.4912 0.0000 0.0000 34095.9803 -149645.5738 297.7687 -183741.5541 -149552.9477 297.6362 -300.9050 -266.9650 558962.7248 -3.8575 -3.9486 PRESSURE: 1787800 58.4428 9.27172 -31.4641 9.2705 -13.6756 -167.589 -31.4638 -167.589 244.174 GPRESSURE: 1787800 53.8567 -13.6097 23.3929 -1.43173 50.0859 -117.007 -26.0743 -213.159 290.858 PRESSAVG: 1787800 33.9688 29.5054 -35.5941 29.5055 -58.1622 58.9762 -35.5941 58.9762 19.1845 GPRESSAVG: 1787800 34.4924 31.6802 -36.0532 29.1373 -59.0043 57.3685 -37.0352 61.494 19.3999 TIMING: 1787800 CPU: 5391.2, 0.00298192/step Wall: 5391.2, 0.00298192/step, 2.6607 hours remaining, 209.953125 MB of memory in use. ENERGY: 1787800 732.0261 2071.3702 1918.1043 111.0013 -206527.8296 17946.1161 0.0000 0.0000 34070.6576 -149678.5540 297.5475 -183749.2116 -149583.3717 297.2159 96.3138 131.6001 557999.1335 -1.6696 -1.7040 PRESSURE: 1788000 -51.43 -88.7603 -31.1277 -88.7603 -71.8667 167.763 -31.1287 167.764 -24.3575 GPRESSURE: 1788000 -24.4911 -142.087 -41.3686 -65.2652 -6.45422 232.109 -45.2355 153.378 -27.0131 PRESSAVG: 1788000 21.1346 -39.9746 -16.3387 -39.9745 2.14652 -5.60325 -16.3387 -5.60309 9.35421 GPRESSAVG: 1788000 20.8117 -41.9802 -15.5436 -38.496 3.16884 -5.06155 -14.7655 -6.76149 8.48994 TIMING: 1788000 CPU: 5391.8, 0.00298987/step Wall: 5391.8, 0.00298987/step, 2.66763 hours remaining, 209.953125 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: 1788000 777.1840 2025.4710 1939.4825 108.8788 -206698.5955 17978.6606 0.0000 0.0000 34096.2765 -149772.6422 297.7713 -183868.9187 -149677.2758 297.1008 -49.2180 -19.3195 556552.3652 10.8784 10.8235 PRESSURE: 1788200 -292.77 -64.4824 -76.6775 -64.4828 -61.2155 139.618 -76.6785 139.621 -220.071 GPRESSURE: 1788200 -289.965 -57.4765 55.9464 -107.721 -11.2957 111.741 -116.461 48.4389 -180.303 PRESSAVG: 1788200 -44.9515 13.731 -22.5267 13.731 12.3495 56.7456 -22.5268 56.7455 32.5777 GPRESSAVG: 1788200 -45.0377 15.5034 -22.4859 11.6091 11.2004 56.6317 -23.6466 56.2082 33.9132 TIMING: 1788200 CPU: 5392.4, 0.0030327/step Wall: 5392.4, 0.0030327/step, 2.70567 hours remaining, 209.953125 MB of memory in use. ENERGY: 1788200 756.4630 2053.8745 1963.5562 108.6232 -206233.6394 17575.2398 0.0000 0.0000 33947.8668 -149828.0160 296.4752 -183775.8827 -149736.5100 297.2527 -191.3521 -160.5213 557912.1314 -0.0081 0.0253 LDB: ============= START OF LOAD BALANCING ============== 5395.93 LDB: ============== END OF LOAD BALANCING =============== 5395.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5395.93 LDB: ============= START OF LOAD BALANCING ============== 5396.23 LDB: Largest compute 4800 load 0.032828 is 27.8% of average load 0.118050 LDB: Average compute 0.001729 is 1.5% of average load 0.118050 LDB: TIME 5396.23 LOAD: AVG 0.11805 MAX 0.214334 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.074 MB LDB: TIME 5396.23 LOAD: AVG 0.11805 MAX 0.214334 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.145 MB LDB: TIME 5396.23 LOAD: AVG 0.11805 MAX 0.214334 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.145 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5396.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5396.24 PRESSURE: 1788400 -168.759 -3.53242 -168.145 -3.53253 -67.4904 155.204 -168.146 155.203 -145.463 GPRESSURE: 1788400 -78.8335 -46.7459 -193.369 79.6769 -68.2988 189.796 -114.816 92.152 -143.172 PRESSAVG: 1788400 9.56156 -5.43614 -60.9071 -5.43599 22.5125 47.1332 -60.9071 47.1331 -18.8802 GPRESSAVG: 1788400 10.8121 -7.52748 -61.4256 -4.75522 22.1972 48.0186 -60.9847 47.5665 -20.1483 TIMING: 1788400 CPU: 5393.02, 0.00309104/step Wall: 5393.02, 0.00309105/step, 2.75756 hours remaining, 207.042969 MB of memory in use. ENERGY: 1788400 767.2839 2062.7641 1938.5104 113.0481 -206222.4702 17770.5196 0.0000 0.0000 33999.7644 -149570.5798 296.9284 -183570.3442 -149479.0406 297.1819 -127.2374 -96.7681 557863.2456 4.3979 4.2870 PRESSURE: 1788600 -205.043 17.557 -71.705 17.5565 -403.73 170.295 -71.7041 170.296 -99.171 GPRESSURE: 1788600 -210.457 26.3668 -52.2422 -11.5707 -372.821 23.7572 -70.5148 211.475 -20.4462 PRESSAVG: 1788600 44.6015 -33.9143 -47.7843 -33.9142 1.29635 -23.8134 -47.7843 -23.8135 -42.7736 GPRESSAVG: 1788600 43.1909 -32.3196 -47.0454 -33.7065 2.80954 -23.1579 -46.8738 -23.2226 -43.262 TIMING: 1788600 CPU: 5393.63, 0.00301401/step Wall: 5393.63, 0.00301401/step, 2.68866 hours remaining, 207.449219 MB of memory in use. ENERGY: 1788600 752.3957 2086.8358 1937.2721 105.5179 -205890.3906 17539.5555 0.0000 0.0000 33881.9980 -149586.8155 295.8999 -183468.8135 -149491.2745 297.6465 -235.9812 -201.2414 559190.7953 1.0414 0.9128 PRESSURE: 1788800 -364.411 98.9679 51.2894 98.9678 -79.6754 -136.557 51.2897 -136.556 -321.009 GPRESSURE: 1788800 -342.061 78.6924 42.392 127.27 -59.9974 -112.601 30.5655 -187.543 -266.761 PRESSAVG: 1788800 13.8642 6.30477 -49.7647 6.30476 -49.8694 2.17435 -49.7647 2.17427 41.0716 GPRESSAVG: 1788800 12.7084 6.01229 -49.4956 6.70548 -49.9692 0.362725 -49.814 1.33674 42.2791 TIMING: 1788800 CPU: 5394.23, 0.00301191/step Wall: 5394.23, 0.00301191/step, 2.68662 hours remaining, 207.449219 MB of memory in use. ENERGY: 1788800 779.8537 2081.7626 1951.1205 112.1878 -206366.5689 17623.0895 0.0000 0.0000 34136.5534 -149682.0014 298.1230 -183818.5548 -149589.6808 298.0726 -255.0319 -222.9397 558405.8813 1.6888 1.6728 PRESSURE: 1789000 -49.6105 -59.7128 10.795 -59.7135 -28.4651 -192.737 10.7943 -192.737 11.2777 GPRESSURE: 1789000 -7.95512 -57.1684 16.2307 -63.9439 8.03539 -198.379 -3.33771 -130.186 25.2084 PRESSAVG: 1789000 11.9816 -55.8913 -3.13875 -55.8913 -26.0357 7.20928 -3.13871 7.20919 -4.15702 GPRESSAVG: 1789000 12.3879 -54.7975 -3.85894 -57.3405 -26.4906 7.51987 -3.97277 9.5422 -4.07714 TIMING: 1789000 CPU: 5394.83, 0.00301647/step Wall: 5394.83, 0.00301647/step, 2.69052 hours remaining, 207.449219 MB of memory in use. ENERGY: 1789000 731.0381 2063.2820 1913.5766 126.2864 -206776.3706 17974.0280 0.0000 0.0000 34182.7966 -149785.3630 298.5269 -183968.1596 -149692.9859 298.4046 -22.2660 8.4295 557050.9729 -6.0704 -6.0599 PRESSURE: 1789200 144.651 -102.201 126.338 -102.203 -157.921 -66.5416 126.337 -66.5407 -278.977 GPRESSURE: 1789200 239.733 -187.574 23.1874 1.39318 -127.507 -70.2123 163.249 -23.2104 -298.176 PRESSAVG: 1789200 52.0073 -6.55375 44.8893 -6.55379 -8.80363 21.0619 44.8892 21.0618 -18.8676 GPRESSAVG: 1789200 53.1177 -7.85997 45.8936 -6.27616 -9.14068 20.5247 43.253 20.2184 -19.2626 TIMING: 1789200 CPU: 5395.43, 0.00300865/step Wall: 5395.43, 0.00300865/step, 2.68338 hours remaining, 207.449219 MB of memory in use. ENERGY: 1789200 723.4293 2110.6194 1912.6500 111.2042 -206227.7127 17793.2805 0.0000 0.0000 34010.6084 -149565.9211 297.0231 -183576.5295 -149467.3775 298.5087 -97.4157 -61.9832 557533.2590 8.1120 8.2381 PRESSURE: 1789400 151.666 100.529 -58.9109 100.529 -121.904 -36.0817 -58.9103 -36.0817 -161.291 GPRESSURE: 1789400 113.562 25.4236 -134.835 65.6411 -2.789 -30.8336 77.2511 -48.8155 -158.156 PRESSAVG: 1789400 41.0737 25.7952 22.6517 25.7952 -56.5174 30.9495 22.6517 30.9494 20.6491 GPRESSAVG: 1789400 40.4346 24.7329 20.8319 27.6849 -56.5005 30.812 24.7672 29.7916 21.5804 TIMING: 1789400 CPU: 5396.04, 0.00301089/step Wall: 5396.04, 0.00301089/step, 2.68521 hours remaining, 207.449219 MB of memory in use. ENERGY: 1789400 761.8473 2140.1826 1948.5390 107.7212 -206525.5753 17838.9525 0.0000 0.0000 34209.1577 -149519.1750 298.7571 -183728.3327 -149424.5476 298.5997 -43.8432 -15.7942 556456.5618 1.7351 1.8382 PRESSURE: 1789600 -198.778 103.811 -13.8639 103.812 129.555 -75.1051 -13.863 -75.1047 59.9949 GPRESSURE: 1789600 -136.42 22.156 48.778 145.569 147.772 -48.6664 -86.6093 -77.6244 56.4839 PRESSAVG: 1789600 9.44969 9.72061 -0.428908 9.72062 51.9113 4.58883 -0.428954 4.58873 -50.5312 GPRESSAVG: 1789600 8.72519 9.57777 1.97204 9.80174 51.542 5.48683 -1.02256 6.45829 -49.0412 TIMING: 1789600 CPU: 5396.64, 0.00301853/step Wall: 5396.64, 0.00301853/step, 2.69185 hours remaining, 207.449219 MB of memory in use. ENERGY: 1789600 749.3695 2129.3115 1932.9250 104.0793 -206684.2880 18007.6054 0.0000 0.0000 34382.1656 -149378.8318 300.2680 -183760.9974 -149281.5029 299.1169 -3.0761 22.6121 557462.1852 3.6099 3.7420 PRESSURE: 1789800 346.163 84.7162 116.268 84.7152 192.325 51.9297 116.267 51.9283 -103.361 GPRESSURE: 1789800 374.254 81.1609 170.127 86.9632 209.668 50.9971 151.249 -4.16948 -45.7219 PRESSAVG: 1789800 14.1765 24.1916 10.2363 24.1915 -52.4633 37.3322 10.2363 37.3321 26.092 GPRESSAVG: 1789800 15.1039 24.4368 8.83963 24.4813 -52.3914 36.9554 9.69585 36.0185 25.4767 TIMING: 1789800 CPU: 5397.24, 0.00302343/step Wall: 5397.24, 0.00302343/step, 2.69606 hours remaining, 207.449219 MB of memory in use. ENERGY: 1789800 769.8651 2119.3704 1931.5228 131.3736 -206474.1869 18089.7220 0.0000 0.0000 34168.8666 -149263.4664 298.4052 -183432.3330 -149166.7068 299.6128 145.0425 179.3998 557746.7057 -4.0649 -3.9369 PRESSURE: 1790000 15.6786 147.17 -60.5421 147.17 -231.702 -28.9596 -60.5412 -28.961 -152.515 GPRESSURE: 1790000 -7.91768 74.1163 -37.062 156.806 -155.346 -38.3032 -30.0047 -3.5811 -105.627 PRESSAVG: 1790000 29.1461 40.9498 45.9972 40.9499 -13.2819 44.3951 45.9971 44.3949 -16.1367 GPRESSAVG: 1790000 28.1586 41.0777 46.0544 40.0895 -11.9494 43.6509 46.6481 45.5415 -16.647 TIMING: 1790000 CPU: 5397.84, 0.0029962/step Wall: 5397.84, 0.0029962/step, 2.67161 hours remaining, 207.449219 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: 1790000 762.7537 2091.1015 1945.9309 114.5855 -206305.1808 17841.6026 0.0000 0.0000 34190.3486 -149358.8580 298.5928 -183549.2067 -149257.6103 299.8845 -122.8462 -89.6304 557000.4965 -0.0908 -0.1459 PRESSURE: 1790200 -177.751 172.595 145.9 172.595 -112.797 25.9354 145.9 25.9336 132.981 GPRESSURE: 1790200 -94.6973 122.101 132.828 180.222 -102.998 109.779 138.795 -68.4768 129.385 PRESSAVG: 1790200 0.758789 16.0818 53.7482 16.0817 -22.3933 -27.3787 53.7483 -27.3786 18.8991 GPRESSAVG: 1790200 2.85682 15.229 53.4595 17.1249 -23.9498 -25.485 53.8774 -27.1865 18.383 TIMING: 1790200 CPU: 5398.44, 0.00300416/step Wall: 5398.44, 0.00300416/step, 2.67854 hours remaining, 207.449219 MB of memory in use. ENERGY: 1790200 777.9605 2062.6339 1935.4300 110.2208 -206168.0864 17747.7927 0.0000 0.0000 34211.4973 -149322.5511 298.7775 -183534.0484 -149227.6400 299.5699 -52.5223 -22.7701 558059.5345 -0.9118 -0.9033 PRESSURE: 1790400 -114.018 -78.2179 15.9046 -78.2171 85.6301 -139.458 15.905 -139.458 -141.769 GPRESSURE: 1790400 -59.3327 -4.50888 38.8361 -130.984 65.6497 -19.0327 -10.7316 -95.8013 -82.6416 PRESSAVG: 1790400 -29.3019 -65.1188 0.319877 -65.1187 -17.1522 -16.8169 0.319907 -16.8168 41.2714 GPRESSAVG: 1790400 -30.4064 -64.4113 -1.36255 -64.7729 -17.8971 -18.8861 2.40879 -15.3071 43.2524 TIMING: 1790400 CPU: 5399.05, 0.00301384/step Wall: 5399.05, 0.00301384/step, 2.687 hours remaining, 207.449219 MB of memory in use. ENERGY: 1790400 750.8605 2098.0482 1948.4668 109.9140 -206228.2963 17852.8272 0.0000 0.0000 34227.5282 -149240.6514 298.9175 -183468.1796 -149146.1493 299.2905 -56.7190 -25.4415 558987.2990 -1.7276 -1.6837 PRESSURE: 1790600 167.503 -65.6155 45.2516 -65.6155 299.999 -42.1659 45.2512 -42.1667 259.569 GPRESSURE: 1790600 185.128 -51.0758 78.2293 -65.6503 382.656 -109.28 52.0135 -73.0686 257.421 PRESSAVG: 1790600 8.20488 -44.3222 62.1071 -44.3223 -9.79519 12.748 62.107 12.748 17.1806 GPRESSAVG: 1790600 8.06311 -43.6058 65.5278 -44.5962 -7.52661 14.2843 59.0397 11.3821 15.3694 TIMING: 1790600 CPU: 5399.65, 0.00299945/step Wall: 5399.65, 0.00299945/step, 2.67401 hours remaining, 207.449219 MB of memory in use. ENERGY: 1790600 750.5169 2036.1258 1923.0076 115.0007 -206848.9062 18432.6782 0.0000 0.0000 34361.7590 -149229.8180 300.0898 -183591.5770 -149143.5409 299.7073 242.3568 275.0682 557071.8918 5.1968 5.3020 PRESSURE: 1790800 38.9868 92.5623 -64.9297 92.5635 -6.90187 41.827 -64.9284 41.8263 91.4763 GPRESSURE: 1790800 107.706 23.2246 -62.0599 86.1625 -16.3474 -34.5476 -64.7285 62.4468 125.105 PRESSAVG: 1790800 -37.949 -39.1917 20.4998 -39.1916 38.7979 -13.5243 20.4998 -13.5243 17.8057 GPRESSAVG: 1790800 -38.2733 -38.4548 19.2099 -40.8125 36.797 -13.1643 22.1632 -14.258 20.2695 TIMING: 1790800 CPU: 5400.25, 0.00302626/step Wall: 5400.25, 0.00302626/step, 2.69774 hours remaining, 207.449219 MB of memory in use. ENERGY: 1790800 742.8064 2062.2334 1953.6483 111.2262 -206185.1996 17848.9854 0.0000 0.0000 34077.0986 -149389.2012 297.6038 -183466.2998 -149291.6158 298.9632 41.1871 72.1545 557425.2439 6.2182 6.2644 PRESSURE: 1791000 173.724 20.272 -198.608 20.2715 -98.594 -83.9582 -198.606 -83.9574 -150.091 GPRESSURE: 1791000 186.556 11.5761 -147.646 99.7516 -55.7458 -93.2973 -149.787 -47.489 -107.318 PRESSAVG: 1791000 15.3803 12.3875 -0.029475 12.3875 -5.0006 -47.8911 -0.0294545 -47.891 -15.1194 GPRESSAVG: 1791000 15.7339 13.1197 -0.287147 11.8399 -4.30951 -49.9751 0.680487 -47.0581 -16.0981 TIMING: 1791000 CPU: 5400.85, 0.00300702/step Wall: 5400.85, 0.00300702/step, 2.68042 hours remaining, 207.449219 MB of memory in use. ENERGY: 1791000 726.5050 2093.5289 1923.5849 115.8767 -206090.1138 17790.0864 0.0000 0.0000 34150.0109 -149290.5211 298.2405 -183440.5319 -149189.3245 298.4004 -24.9871 7.8307 557754.9185 -1.5799 -1.5579 PRESSURE: 1791200 9.36291 -29.8325 1.77244 -29.8334 8.35881 -128.831 1.77455 -128.831 -160.671 GPRESSURE: 1791200 51.7229 -60.9706 13.6281 -35.2864 42.5643 -66.6122 -45.1903 -101.198 -144.759 PRESSAVG: 1791200 18.6883 51.017 -8.38211 51.017 -0.93207 -36.948 -8.38209 -36.9481 -25.8449 GPRESSAVG: 1791200 19.8821 49.1221 -6.60463 52.0455 -1.75161 -34.4978 -10.434 -38.0504 -26.1442 TIMING: 1791200 CPU: 5401.46, 0.00301274/step Wall: 5401.46, 0.00301274/step, 2.68536 hours remaining, 207.449219 MB of memory in use. ENERGY: 1791200 744.0012 2088.9923 1944.0555 106.7907 -206197.0613 17818.8839 0.0000 0.0000 34211.1905 -149283.1472 298.7748 -183494.3377 -149175.7909 298.5273 -47.6497 -16.8238 558060.0674 -2.6962 -2.6712 PRESSURE: 1791400 -73.1802 29.9979 -91.2628 29.9982 -208.278 1.32623 -91.2626 1.32433 -55.5139 GPRESSURE: 1791400 -9.31599 61.6209 -0.666396 34.1156 -239.942 -39.1962 -132.405 48.2727 12.5231 PRESSAVG: 1791400 -40.9942 32.6351 -33.5042 32.6352 4.53168 -80.7894 -33.5042 -80.7895 20.7175 GPRESSAVG: 1791400 -42.089 33.1033 -35.8874 34.1663 4.89182 -82.3353 -29.777 -81.2223 21.5027 TIMING: 1791400 CPU: 5402.06, 0.00304601/step Wall: 5402.06, 0.00304601/step, 2.71484 hours remaining, 207.449219 MB of memory in use. ENERGY: 1791400 748.9207 2070.6754 1924.4060 101.5218 -206023.1801 17609.8587 0.0000 0.0000 34343.1042 -149224.6932 299.9269 -183567.7974 -149123.1055 299.0989 -112.3240 -78.9117 558265.5208 -5.2483 -5.2315 PRESSURE: 1791600 -169.69 152.591 -9.38741 152.589 -32.1198 -11.1405 -9.38729 -11.1405 191.819 GPRESSURE: 1791600 -67.7861 185.164 -67.7763 103.244 7.47702 39.7506 -0.99289 -46.3763 160.808 PRESSAVG: 1791600 30.0099 -14.2613 -39.8483 -14.2614 -26.2139 -56.5785 -39.8484 -56.5785 -23.312 GPRESSAVG: 1791600 30.0065 -13.7727 -40.3776 -16.773 -24.6786 -57.0821 -40.087 -56.7009 -23.8246 TIMING: 1791600 CPU: 5402.68, 0.00305528/step Wall: 5402.68, 0.00305528/step, 2.72293 hours remaining, 207.449219 MB of memory in use. ENERGY: 1791600 723.4440 2123.9968 1938.9515 123.1455 -206350.6102 17878.4267 0.0000 0.0000 34289.6097 -149273.0361 299.4597 -183562.6458 -149178.0240 298.8699 -3.3300 33.4996 557827.4814 -6.5053 -6.1656 PRESSURE: 1791800 44.8609 121.455 8.09862 121.457 -129.372 -27.1123 8.0995 -27.112 -159.085 GPRESSURE: 1791800 44.375 154.389 18.6736 91.6771 -73.9502 39.694 60.9052 -0.231422 -113.52 PRESSAVG: 1791800 4.46334 14.7359 -17.1925 14.736 -27.7468 -3.3459 -17.1925 -3.34584 -3.85559 GPRESSAVG: 1791800 4.93985 14.2389 -16.4525 15.6064 -28.1748 -1.93078 -17.0764 -1.79104 -4.28543 TIMING: 1791800 CPU: 5403.28, 0.003025/step Wall: 5403.28, 0.003025/step, 2.69578 hours remaining, 207.449219 MB of memory in use. ENERGY: 1791800 776.2062 2124.0020 1922.1015 105.7450 -206311.6352 17772.8287 0.0000 0.0000 34385.1063 -149225.6456 300.2937 -183610.7518 -149127.4620 299.2261 -81.1987 -47.6982 557282.5254 -9.0463 -9.1735 PRESSURE: 1792000 190.379 -20.0618 170.553 -20.0624 -148.694 45.3371 170.553 45.3378 220.625 GPRESSURE: 1792000 195.942 -21.3037 239.283 -117.12 -140.107 100.982 156.205 -69.9295 313.152 PRESSAVG: 1792000 -3.64066 4.23683 22.8149 4.23676 -31.48 -23.1089 22.8149 -23.1088 14.1139 GPRESSAVG: 1792000 -4.05875 5.60931 22.3688 2.63526 -33.1127 -24.8706 23.4218 -22.6142 15.9219 TIMING: 1792000 CPU: 5403.89, 0.00302967/step Wall: 5403.89, 0.00302967/step, 2.69978 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: 1792000 766.2674 2104.9792 1942.9440 106.3691 -206540.7067 18074.9690 0.0000 0.0000 34377.7338 -149167.4441 300.2293 -183545.1779 -149066.6521 299.1436 87.4367 122.9956 556967.0278 -7.0023 -7.0832 PRESSURE: 1792200 -76.2423 -179.635 -52.3247 -179.634 195.117 -105.923 -52.3247 -105.924 26.9449 GPRESSURE: 1792200 -7.0256 -168.722 -90.9243 -170.91 180.195 -117.133 -99.9565 -43.6434 70.2044 PRESSAVG: 1792200 15.4463 25.2496 -13.8161 25.2497 14.76 -43.4605 -13.8162 -43.4605 -31.0715 GPRESSAVG: 1792200 16.974 23.2115 -15.4928 28.8608 15.267 -41.836 -14.5066 -42.2321 -33.195 TIMING: 1792200 CPU: 5404.48, 0.00299154/step Wall: 5404.48, 0.00299154/step, 2.66563 hours remaining, 207.652344 MB of memory in use. ENERGY: 1792200 744.7036 2111.3163 1931.4053 108.6210 -206433.9352 17904.5180 0.0000 0.0000 34364.1731 -149269.1979 300.1109 -183633.3710 -149165.6373 299.4682 48.6067 81.1245 556593.2971 -0.2884 -0.3180 LDB: ============= START OF LOAD BALANCING ============== 5408 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5408 LDB: =============== DONE WITH MIGRATION ================ 5408 LDB: ============= START OF LOAD BALANCING ============== 5408.31 LDB: Largest compute 4800 load 0.031700 is 26.9% of average load 0.117975 LDB: Average compute 0.001738 is 1.5% of average load 0.117975 LDB: TIME 5408.31 LOAD: AVG 0.117975 MAX 0.209998 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.73 MB LDB: TIME 5408.31 LOAD: AVG 0.117975 MAX 0.209998 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.73 MB LDB: TIME 5408.31 LOAD: AVG 0.117975 MAX 0.209998 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.73 MB LDB: ============== END OF LOAD BALANCING =============== 5408.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5408.31 PRESSURE: 1792400 290.371 -70.2281 -13.6347 -70.2284 181.332 40.1375 -13.634 40.1376 17.9812 GPRESSURE: 1792400 257.438 -73.9742 -10.0208 -57.2809 229.415 59.1037 -34.8866 -13.2116 94.9673 PRESSAVG: 1792400 16.4635 -2.14019 -3.75218 -2.14017 6.02338 43.0805 -3.75218 43.0805 -19.8422 GPRESSAVG: 1792400 14.0915 -1.17386 -2.69885 -2.79898 7.24406 41.713 -4.604 41.7024 -18.9418 TIMING: 1792400 CPU: 5405.1, 0.00306598/step Wall: 5405.1, 0.00306598/step, 2.73179 hours remaining, 210.585938 MB of memory in use. ENERGY: 1792400 737.3090 2172.9232 1939.7584 115.5350 -206830.0518 18146.2712 0.0000 0.0000 34461.2642 -149256.9908 300.9588 -183718.2550 -149164.6522 299.0030 163.2279 193.9401 556505.5602 0.8815 0.7979 PRESSURE: 1792600 -128.778 295.584 -130.26 295.583 -35.1645 -2.56998 -130.259 -2.57094 -1.6716 GPRESSURE: 1792600 -100.736 323.255 -100.119 235.825 -0.365448 124.175 -207.91 -23.8096 41.0554 PRESSAVG: 1792600 15.289 59.6225 -52.8466 59.6226 -42.2368 30.0241 -52.8465 30.024 37.8772 GPRESSAVG: 1792600 16.077 58.7757 -52.7959 59.6822 -42.2795 31.1376 -54.3283 29.5715 37.7097 TIMING: 1792600 CPU: 5405.7, 0.00298494/step Wall: 5405.7, 0.00298494/step, 2.65941 hours remaining, 210.789062 MB of memory in use. ENERGY: 1792600 724.2745 2096.0958 1937.4586 115.9208 -206070.5704 17724.1875 0.0000 0.0000 34028.1783 -149444.4549 297.1765 -183472.6333 -149344.9870 299.0063 -55.2048 -20.0152 557221.6659 3.6432 3.8357 PRESSURE: 1792800 -138.169 -9.9515 109.476 -9.95143 -127.004 62.0544 109.475 62.0539 -242.135 GPRESSURE: 1792800 -101.874 -11.0344 54.2236 -4.17913 -112.79 61.1806 158.012 25.4203 -192.236 PRESSAVG: 1792800 -27.5118 35.6628 -63.6684 35.6627 -1.84957 22.274 -63.6684 22.274 31.65 GPRESSAVG: 1792800 -26.4921 37.8478 -62.3312 33.7087 -3.06255 21.2954 -63.221 21.8046 31.8641 TIMING: 1792800 CPU: 5406.3, 0.00304095/step Wall: 5406.3, 0.00304095/step, 2.70915 hours remaining, 210.789062 MB of memory in use. ENERGY: 1792800 760.8134 2105.1323 1907.8576 122.5619 -206213.8654 17492.0952 0.0000 0.0000 34394.1923 -149431.2126 300.3730 -183825.4049 -149332.7360 298.7149 -169.1027 -135.6333 555835.3880 0.7629 0.7698 PRESSURE: 1793000 259.869 67.7788 96.6882 67.7796 174.528 78.5588 96.6872 78.5602 136.157 GPRESSURE: 1793000 305.4 9.23386 111.1 10.7354 196.647 83.1115 45.9768 112.23 176.638 PRESSAVG: 1793000 18.0422 25.8762 -39.5938 25.8762 -1.64921 5.97122 -39.5937 5.97127 -9.17092 GPRESSAVG: 1793000 16.9164 23.9535 -41.4198 26.7808 -1.07012 5.68195 -39.2623 6.80051 -8.37897 TIMING: 1793000 CPU: 5406.91, 0.00300873/step Wall: 5406.91, 0.00300873/step, 2.68028 hours remaining, 210.847656 MB of memory in use. ENERGY: 1793000 724.1111 2085.6140 1946.2742 113.4491 -206098.0343 17849.4176 0.0000 0.0000 34099.5128 -149279.6554 297.7995 -183379.1682 -149189.6922 298.7652 190.1845 226.2281 556094.1238 2.4074 2.4891 PRESSURE: 1793200 12.1187 41.5468 -28.958 41.5474 -168.14 103.372 -28.9586 103.371 224.529 GPRESSURE: 1793200 22.5098 86.2406 -35.1825 56.541 -108.921 101.193 12.2382 76.059 236.65 PRESSAVG: 1793200 8.56757 47.5615 -61.7464 47.5614 5.24859 70.0241 -61.7464 70.0241 -15.2855 GPRESSAVG: 1793200 9.21786 49.5523 -58.6847 44.7405 5.42217 70.0739 -64.7705 70.8831 -15.616 TIMING: 1793200 CPU: 5407.5, 0.00298819/step Wall: 5407.5, 0.00298819/step, 2.66181 hours remaining, 210.847656 MB of memory in use. ENERGY: 1793200 736.0601 2098.3470 1898.4518 103.0025 -205906.2118 17655.3735 0.0000 0.0000 34084.9287 -149330.0483 297.6722 -183414.9770 -149235.3422 299.1108 22.8357 50.0797 556322.8829 -0.4898 -0.3253 PRESSURE: 1793400 3.47617 29.2296 -48.7017 29.2285 43.8959 -56.6678 -48.7018 -56.667 -301.96 GPRESSURE: 1793400 44.0057 -15.239 -25.1087 30.1715 77.5372 -92.6187 -26.7665 -20.7152 -268.66 PRESSAVG: 1793400 -36.9513 -35.1513 4.14429 -35.1514 22.3707 -3.58377 4.14425 -3.58376 -1.69502 GPRESSAVG: 1793400 -37.3581 -36.9183 1.95696 -33.3081 22.4697 -3.58278 5.32562 -5.6038 -1.82452 TIMING: 1793400 CPU: 5408.11, 0.00301689/step Wall: 5408.11, 0.00301689/step, 2.68721 hours remaining, 210.847656 MB of memory in use. ENERGY: 1793400 739.2532 2042.0215 1938.5292 114.5998 -206053.6495 17670.2767 0.0000 0.0000 34197.7476 -149351.2215 298.6574 -183548.9691 -149253.4427 299.0072 -84.8628 -49.0390 558246.7524 -5.4252 -5.5710 PRESSURE: 1793600 49.2062 -41.0251 -79.2457 -41.0249 -105.862 41.3931 -79.2452 41.3932 -273.224 GPRESSURE: 1793600 74.6195 -21.9266 -69.3486 -30.4494 -75.6781 -32.0698 -57.9612 62.5066 -240.251 PRESSAVG: 1793600 -41.0863 21.7243 17.6949 21.7243 20.611 32.4315 17.695 32.4316 -15.9872 GPRESSAVG: 1793600 -40.4472 23.1041 17.0015 23.2355 20.4699 30.4324 17.2822 32.4239 -16.4649 TIMING: 1793600 CPU: 5408.71, 0.00299603/step Wall: 5408.71, 0.00299603/step, 2.66847 hours remaining, 210.847656 MB of memory in use. ENERGY: 1793600 756.2299 2102.1681 1941.9764 118.8530 -206021.9417 17642.6948 0.0000 0.0000 34168.8957 -149291.1238 298.4055 -183460.0195 -149203.4175 298.5583 -109.9601 -80.4366 557740.4289 -12.1542 -12.1474 PRESSURE: 1793800 -275.766 127.015 65.9891 127.016 -38.5476 13.4097 65.9893 13.4106 -163.824 GPRESSURE: 1793800 -276.062 154.045 -8.3858 40.6988 92.9866 30.5211 144.128 27.2942 -186.847 PRESSAVG: 1793800 9.08063 40.5148 44.7713 40.5146 7.85323 -24.9597 44.7713 -24.9597 14.8117 GPRESSAVG: 1793800 8.68523 40.7859 45.0363 37.5852 8.24246 -20.6158 47.8193 -26.1897 15.0024 TIMING: 1793800 CPU: 5409.3, 0.00298978/step Wall: 5409.3, 0.00298978/step, 2.66273 hours remaining, 210.847656 MB of memory in use. ENERGY: 1793800 749.1215 2150.0287 1905.8126 103.4359 -205982.7182 17565.7657 0.0000 0.0000 34137.7299 -149370.8239 298.1333 -183508.5538 -149268.3345 298.7316 -159.3791 -123.3074 558731.0585 10.5818 10.6434 PRESSURE: 1794000 -10.5806 59.1091 -143.176 59.1091 -5.45451 53.7624 -143.175 53.7611 87.6448 GPRESSURE: 1794000 13.6458 38.1385 -118.371 77.304 67.5864 45.571 -173.533 5.58123 92.427 PRESSAVG: 1794000 -3.34856 24.424 7.77602 24.4241 -15.2943 -8.27007 7.77616 -8.27 10.0572 GPRESSAVG: 1794000 -3.27879 24.4929 6.62501 25.8729 -15.6663 -9.52831 6.56716 -8.32781 10.394 TIMING: 1794000 CPU: 5409.9, 0.00298384/step Wall: 5409.9, 0.00298384/step, 2.65728 hours remaining, 210.847656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1794000 759.6409 2043.1390 1916.7649 112.3165 -206250.4633 17822.6169 0.0000 0.0000 34036.9321 -149559.0530 297.2530 -183595.9851 -149454.3860 298.4448 23.8699 57.8864 556401.9586 -2.8619 -2.8504 PRESSURE: 1794200 -244.984 28.5647 106.046 28.5652 -171.277 -118.399 106.045 -118.399 -76.5068 GPRESSURE: 1794200 -180.165 43.9382 35.6067 -15.6534 -104.933 -72.0614 146.251 -164.83 -120.626 PRESSAVG: 1794200 -8.99969 -1.44772 -8.8261 -1.44775 23.0842 -55.7579 -8.82609 -55.7578 -67.5453 GPRESSAVG: 1794200 -8.97021 -3.84362 -8.41427 -1.30212 24.1465 -56.7012 -8.51902 -53.9651 -68.5524 TIMING: 1794200 CPU: 5410.5, 0.00300176/step Wall: 5410.5, 0.00300176/step, 2.67307 hours remaining, 210.847656 MB of memory in use. ENERGY: 1794200 756.4696 2080.2986 1881.3921 111.6503 -206143.6443 17711.3675 0.0000 0.0000 34233.0331 -149369.4331 298.9656 -183602.4662 -149276.2721 298.1691 -164.2558 -135.2411 559284.4461 -17.8203 -17.7921 PRESSURE: 1794400 234.041 250.896 -76.8151 250.896 2.31909 -83.4925 -76.8151 -83.4934 -179.821 GPRESSURE: 1794400 188.412 153.25 -51.6359 255.815 91.414 -85.7032 -64.9197 -127.648 -113.859 PRESSAVG: 1794400 -28.6428 -17.319 -18.5554 -17.3188 -11.1749 -29.5324 -18.5553 -29.5324 20.5181 GPRESSAVG: 1794400 -27.9941 -16.0263 -17.9298 -17.662 -12.5435 -28.9664 -18.8505 -31.19 22.0597 TIMING: 1794400 CPU: 5411.1, 0.0030144/step Wall: 5411.1, 0.0030144/step, 2.68415 hours remaining, 210.847656 MB of memory in use. ENERGY: 1794400 752.5543 2084.0969 1918.5211 105.1665 -206228.4635 17926.8062 0.0000 0.0000 34086.4932 -149354.8252 297.6858 -183441.3184 -149255.6285 299.1236 18.8463 55.3224 557734.7577 -6.4332 -6.1593 PRESSURE: 1794600 -37.9809 21.9583 137.743 21.9589 113.009 -115.183 137.742 -115.185 -182.229 GPRESSURE: 1794600 -26.9975 52.253 176.498 39.31 138.997 -71.3301 79.5384 -148.172 -121.24 PRESSAVG: 1794600 17.5336 19.7853 15.0646 19.7853 -53.2907 -17.2397 15.0646 -17.2398 2.3497 GPRESSAVG: 1794600 15.1366 19.324 15.5624 20.6041 -51.6383 -17.801 16.1145 -17.709 2.62454 TIMING: 1794600 CPU: 5411.71, 0.00301363/step Wall: 5411.71, 0.00301363/step, 2.6833 hours remaining, 210.847656 MB of memory in use. ENERGY: 1794600 780.8871 2045.9376 1926.2535 119.3384 -206635.9867 17954.7551 0.0000 0.0000 34426.6539 -149382.1611 300.6565 -183808.8149 -149289.0893 299.1583 -35.7335 -3.0802 556623.5445 -11.1358 -11.2924 PRESSURE: 1794800 -169.249 42.1129 -127.944 42.1132 -264.361 -61.7233 -127.944 -61.7237 -262.585 GPRESSURE: 1794800 -142.519 -27.1895 -79.5913 4.42159 -254.525 -64.6402 -74.7962 -53.5461 -183.848 PRESSAVG: 1794800 1.59381 5.90516 -10.7803 5.90509 -47.5581 37.9618 -10.7803 37.9618 37.0035 GPRESSAVG: 1794800 2.94583 4.2781 -9.60125 6.44779 -48.3068 38.4745 -12.6037 39.3587 36.7642 TIMING: 1794800 CPU: 5412.31, 0.00302315/step Wall: 5412.31, 0.00302315/step, 2.69161 hours remaining, 210.847656 MB of memory in use. ENERGY: 1794800 771.3845 2091.8044 1935.3223 98.3305 -206228.3271 17703.1659 0.0000 0.0000 34272.6906 -149355.6287 299.3119 -183628.3194 -149258.0489 299.6610 -232.0650 -193.6307 557695.0932 -2.9869 -2.8656 PRESSURE: 1795000 184.849 -30.5518 14.5597 -30.5534 1.62119 -109.301 14.5608 -109.301 75.992 GPRESSURE: 1795000 213.383 9.99101 68.2381 -36.0742 60.8953 -67.4948 76.0587 -195.253 81.4351 PRESSAVG: 1795000 14.3873 -20.1012 9.38151 -20.101 -7.14017 -8.94563 9.38149 -8.94566 26.0378 GPRESSAVG: 1795000 14.7534 -18.3509 10.4078 -20.1925 -6.97958 -8.63488 8.621 -8.89944 25.1672 TIMING: 1795000 CPU: 5412.92, 0.00304077/step Wall: 5412.92, 0.00304077/step, 2.70713 hours remaining, 210.847656 MB of memory in use. ENERGY: 1795000 732.1609 2086.6801 1909.1098 107.6890 -206358.5166 17743.0539 0.0000 0.0000 34251.5009 -149528.3220 299.1269 -183779.8230 -149432.0785 299.3936 87.4872 118.5711 555031.5015 11.0950 10.9803 PRESSURE: 1795200 -169.766 -94.8403 209.512 -94.8407 119.823 115.011 209.513 115.012 232.011 GPRESSURE: 1795200 -130.068 -94.6952 217.702 -64.1801 134.092 111.247 142.604 130.582 281.339 PRESSAVG: 1795200 -38.8017 -9.70413 64.9801 -9.70418 9.97048 3.62971 64.9802 3.62966 63.8779 GPRESSAVG: 1795200 -38.5121 -9.32807 64.0144 -12.1972 8.16876 3.25467 65.2096 4.88272 65.6685 TIMING: 1795200 CPU: 5413.52, 0.00302205/step Wall: 5413.52, 0.00302205/step, 2.69029 hours remaining, 210.847656 MB of memory in use. ENERGY: 1795200 725.0269 2105.3206 1899.5667 107.7902 -205988.0997 17843.5294 0.0000 0.0000 34071.4569 -149235.4090 297.5545 -183306.8658 -149138.0356 298.6894 60.6891 95.1207 556988.6210 11.6822 11.7750 PRESSURE: 1795400 76.7793 -49.3352 -82.9923 -49.336 156.951 -98.1925 -82.9913 -98.1923 -197.157 GPRESSURE: 1795400 84.2297 -93.7382 -43.2775 34.8074 189.348 -112.122 -119.64 -51.3425 -140.671 PRESSAVG: 1795400 15.4153 25.3741 -6.36035 25.374 -13.2338 9.48661 -6.36037 9.4866 22.5891 GPRESSAVG: 1795400 14.2988 25.547 -5.62282 27.0526 -11.0166 10.0243 -6.56372 8.8134 21.5438 TIMING: 1795400 CPU: 5414.13, 0.00301591/step Wall: 5414.13, 0.00301591/step, 2.68466 hours remaining, 210.859375 MB of memory in use. ENERGY: 1795400 753.8528 2059.3777 1910.7513 104.7025 -206142.2659 17914.8295 0.0000 0.0000 34327.8868 -149070.8653 299.7940 -183398.7521 -148979.1319 299.4429 12.1910 44.3024 557845.4022 8.2569 8.2753 PRESSURE: 1795600 -84.7419 -74.6263 54.3656 -74.6251 -28.8326 -123.393 54.3666 -123.393 -229.463 GPRESSURE: 1795600 -13.9408 -81.1859 117.689 -42.2629 -13.084 -39.0933 13.3273 -58.2428 -221.436 PRESSAVG: 1795600 -25.2069 29.2872 -18.3763 29.2873 8.33064 -15.5901 -18.3763 -15.5901 18.2524 GPRESSAVG: 1795600 -25.0034 28.6283 -21.1336 28.8824 7.909 -17.0589 -17.0492 -14.4734 18.7464 TIMING: 1795600 CPU: 5414.73, 0.00304266/step Wall: 5414.73, 0.00304266/step, 2.70831 hours remaining, 210.859375 MB of memory in use. ENERGY: 1795600 749.1614 2017.8490 1921.6655 109.3026 -205746.4878 17681.3187 0.0000 0.0000 34382.8157 -148884.3749 300.2737 -183267.1906 -148780.2877 300.6920 -114.3459 -82.8201 558271.3325 0.4587 0.5507 PRESSURE: 1795800 185.292 -140.259 -0.566249 -140.259 75.3164 -16.2759 -0.566026 -16.277 26.6534 GPRESSURE: 1795800 226.145 -100.358 -19.0236 -21.7504 86.5019 65.8874 15.9203 -53.0151 76.14 PRESSAVG: 1795800 4.79767 61.5718 13.5139 61.5719 -18.061 -56.7743 13.5139 -56.7744 15.173 GPRESSAVG: 1795800 4.99647 61.5579 11.919 60.2605 -17.9965 -57.3304 15.3055 -57.7277 15.1315 TIMING: 1795800 CPU: 5415.35, 0.00306874/step Wall: 5415.35, 0.00306874/step, 2.73135 hours remaining, 210.859375 MB of memory in use. ENERGY: 1795800 737.4620 2001.8104 1928.8917 117.0209 -205866.8999 17754.0709 0.0000 0.0000 34479.5790 -148848.0650 301.1187 -183327.6439 -148753.2098 300.3103 95.7538 129.5955 556811.7484 0.6366 0.7105 PRESSURE: 1796000 36.2062 -27.1532 128.605 -27.154 -191.599 26.2365 128.603 26.2368 -22.1869 GPRESSURE: 1796000 31.3099 -16.7768 133.52 -88.6826 -115.44 36.0679 98.9714 -34.4266 -5.58468 PRESSAVG: 1796000 -47.3818 41.4226 29.8984 41.4227 77.0363 -20.425 29.8983 -20.4251 -33.964 GPRESSAVG: 1796000 -46.4232 40.4517 31.7036 42.0802 76.7369 -20.9007 28.0948 -21.6417 -34.8218 TIMING: 1796000 CPU: 5415.96, 0.003052/step Wall: 5415.96, 0.003052/step, 2.71628 hours remaining, 210.859375 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: 1796000 735.7989 2085.0755 1922.9960 110.5882 -205677.0711 17739.8317 0.0000 0.0000 34307.6049 -148775.1758 299.6168 -183082.7807 -148676.5389 300.1005 -59.1933 -29.9050 559463.1239 -1.4365 -1.5027 PRESSURE: 1796200 -54.805 -87.3545 -2.07511 -87.3558 -203.832 -14.697 -2.07613 -14.6955 16.6685 GPRESSURE: 1796200 -18.5327 -37.416 -32.6366 -94.0134 -204.764 -11.8646 105.189 39.981 76.7273 PRESSAVG: 1796200 9.63465 18.1145 56.7442 18.1145 -17.1841 -18.1119 56.7443 -18.112 -18.5163 GPRESSAVG: 1796200 9.84064 18.3064 56.3972 19.0226 -17.6433 -17.3562 57.2228 -16.7236 -18.0183 TIMING: 1796200 CPU: 5416.57, 0.00304596/step Wall: 5416.57, 0.00304596/step, 2.71073 hours remaining, 210.859375 MB of memory in use. ENERGY: 1796200 702.8347 2121.3924 1952.3574 113.7820 -205575.7668 17504.0343 0.0000 0.0000 34445.4709 -148735.8951 300.8209 -183181.3660 -148637.1583 300.7633 -80.6562 -48.8565 558822.5383 -8.6886 -8.6070 LDB: ============= START OF LOAD BALANCING ============== 5420.09 LDB: ============== END OF LOAD BALANCING =============== 5420.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5420.09 LDB: ============= START OF LOAD BALANCING ============== 5420.4 LDB: Largest compute 4800 load 0.033646 is 28.5% of average load 0.118030 LDB: Average compute 0.001736 is 1.5% of average load 0.118030 LDB: TIME 5420.4 LOAD: AVG 0.11803 MAX 0.214431 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.043 MB LDB: TIME 5420.4 LOAD: AVG 0.11803 MAX 0.214431 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: TIME 5420.4 LOAD: AVG 0.11803 MAX 0.214431 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5420.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5420.4 PRESSURE: 1796400 -61.2391 -52.78 94.2524 -52.7804 -288.796 92.0676 94.2521 92.0675 -55.4691 GPRESSURE: 1796400 -57.9273 -67.1806 33.6248 -44.5627 -207.021 30.5456 174.053 88.885 -47.3988 PRESSAVG: 1796400 29.4022 -5.3935 43.6835 -5.39352 -50.8662 8.96134 43.6833 8.96128 -6.95179 GPRESSAVG: 1796400 30.8078 -4.48109 44.3988 -7.74656 -51.7798 8.793 43.1339 8.75585 -7.41069 TIMING: 1796400 CPU: 5417.19, 0.00309752/step Wall: 5417.19, 0.00309752/step, 2.75645 hours remaining, 208.902344 MB of memory in use. ENERGY: 1796400 773.0218 2137.3931 1973.3597 117.1900 -205488.5929 17525.4381 0.0000 0.0000 34239.4238 -148722.7664 299.0214 -182962.1902 -148631.6544 300.5153 -135.1680 -104.1156 558959.8351 -9.4719 -9.4609 PRESSURE: 1796600 -236.234 -20.7247 38.2185 -20.7235 -223.33 -19.7053 38.219 -19.7057 -429.739 GPRESSURE: 1796600 -254.712 -57.5278 43.4579 -98.8188 -208.671 4.62314 24.1358 -6.17556 -318.639 PRESSAVG: 1796600 -10.6208 0.998161 13.473 0.998175 -14.7433 -17.9086 13.4729 -17.9086 30.1519 GPRESSAVG: 1796600 -10.9456 0.732325 15.33 1.48152 -14.3594 -17.1299 12.7863 -17.503 29.9363 TIMING: 1796600 CPU: 5417.79, 0.00301846/step Wall: 5417.79, 0.00301846/step, 2.68593 hours remaining, 208.902344 MB of memory in use. ENERGY: 1796600 773.4142 2077.6319 1937.8733 107.3649 -204827.3734 17179.4564 0.0000 0.0000 34349.5492 -148402.0834 299.9832 -182751.6326 -148304.2103 301.2417 -296.4343 -260.6737 560301.2097 1.5959 1.5438 PRESSURE: 1796800 136.266 113.714 105.369 113.713 143.787 -106.962 105.369 -106.96 51.9771 GPRESSURE: 1796800 141.056 114.315 211.1 108.712 209.172 -64.8277 7.32682 -134.114 83.4989 PRESSAVG: 1796800 -59.706 65.9598 39.4534 65.9598 -9.95952 -31.7166 39.4535 -31.7166 56.826 GPRESSAVG: 1796800 -60.1392 67.9905 38.3363 65.2022 -9.04452 -31.1462 39.0799 -32.3853 56.519 TIMING: 1796800 CPU: 5418.4, 0.0030346/step Wall: 5418.4, 0.0030346/step, 2.70012 hours remaining, 208.902344 MB of memory in use. ENERGY: 1796800 713.0444 2088.9103 1944.5059 109.7881 -205891.6856 17976.5765 0.0000 0.0000 34392.2006 -148666.6598 300.3556 -183058.8604 -148567.9549 301.4289 110.6765 144.5757 557977.5884 -4.2798 -4.2216 PRESSURE: 1797000 -44.3288 137.865 98.3381 137.865 -144.827 26.8164 98.3402 26.8167 -11.1917 GPRESSURE: 1797000 11.5022 107.815 154.924 125.209 -74.7397 -0.0303201 89.827 48.0834 -43.4577 PRESSAVG: 1797000 53.2561 -30.7434 36.6364 -30.7434 47.3513 -9.72501 36.6364 -9.72501 -102.678 GPRESSAVG: 1797000 53.4593 -31.9244 35.4797 -30.7785 46.7139 -9.67498 37.8346 -9.72051 -102.541 TIMING: 1797000 CPU: 5419.01, 0.00304456/step Wall: 5419.01, 0.00304456/step, 2.70882 hours remaining, 208.902344 MB of memory in use. ENERGY: 1797000 759.4504 2060.9150 1910.1395 117.4931 -205231.9451 17507.8958 0.0000 0.0000 34319.5912 -148556.4602 299.7215 -182876.0514 -148456.3235 300.7576 -66.7824 -35.5651 559009.9916 -0.6902 -0.7892 PRESSURE: 1797200 -177.212 -178.882 -185.456 -178.884 -104.31 -84.6269 -185.456 -84.6276 -36.1345 GPRESSURE: 1797200 -121.263 -224.913 -120.713 -141.275 -152.861 -117.831 -167.387 -96.9284 55.8798 PRESSAVG: 1797200 20.124 -69.0404 -5.16343 -69.0404 -58.091 -60.2127 -5.16338 -60.2128 50.3447 GPRESSAVG: 1797200 21.1539 -70.6734 -2.2433 -67.9666 -58.9387 -59.7802 -6.33614 -61.4298 49.6909 TIMING: 1797200 CPU: 5419.62, 0.00304831/step Wall: 5419.62, 0.00304831/step, 2.71198 hours remaining, 208.902344 MB of memory in use. ENERGY: 1797200 783.0985 2067.0386 1951.0496 111.9549 -205614.6615 17553.8941 0.0000 0.0000 34509.0604 -148638.5654 301.3762 -183147.6258 -148539.1914 301.1144 -105.8855 -72.7482 557954.0897 4.1259 3.9687 PRESSURE: 1797400 -53.2763 -1.42496 42.5906 -1.42564 17.4799 -25.2156 42.5912 -25.2156 186.059 GPRESSURE: 1797400 5.80242 -38.9396 26.6179 -29.2868 0.515108 66.9915 69.5661 -24.4557 239.459 PRESSAVG: 1797400 -14.4421 -1.07078 -27.2887 -1.07073 -5.2662 -44.995 -27.2887 -44.9951 12.9029 GPRESSAVG: 1797400 -15.2129 -0.125863 -28.9166 0.0172602 -5.38187 -45.9971 -25.6016 -43.0218 13.2731 TIMING: 1797400 CPU: 5420.22, 0.00302603/step Wall: 5420.22, 0.00302603/step, 2.69199 hours remaining, 208.902344 MB of memory in use. ENERGY: 1797400 747.2287 2096.1522 1939.3544 112.1650 -206031.5169 17872.5215 0.0000 0.0000 34544.5025 -148719.5926 301.6857 -183264.0951 -148620.9130 300.5500 50.0874 81.9255 557980.1603 -2.2685 -2.4406 PRESSURE: 1797600 60.3347 180.319 190.246 180.319 -43.9354 -160.957 190.247 -160.956 -147.342 GPRESSURE: 1797600 108.825 182.094 237.905 132.92 -40.3548 -223.17 88.1847 -131.565 -112.97 PRESSAVG: 1797600 41.2871 34.217 27.1841 34.217 -42.0161 -18.3821 27.1841 -18.3821 -21.8656 GPRESSAVG: 1797600 40.0972 35.8156 27.6571 32.4093 -41.5465 -18.3875 27.5588 -18.2029 -21.7785 TIMING: 1797600 CPU: 5420.83, 0.00302146/step Wall: 5420.83, 0.00302146/step, 2.68775 hours remaining, 208.902344 MB of memory in use. ENERGY: 1797600 712.5096 2067.3863 1929.1096 113.4338 -205571.2003 17631.0596 0.0000 0.0000 34548.1028 -148569.5987 301.7172 -183117.7015 -148470.1309 300.7115 -43.6477 -14.8333 560772.8875 -7.5315 -7.7426 PRESSURE: 1797800 -277.722 -41.6179 -4.80955 -41.6177 -203.12 27.4463 -4.80787 27.4475 118.135 GPRESSURE: 1797800 -254.578 -60.1796 16.7957 -116.887 -140.603 -7.97828 -20.4197 73.2716 131.402 PRESSAVG: 1797800 19.917 -2.23285 31.911 -2.23293 65.0395 27.1375 31.911 27.1377 -37.4173 GPRESSAVG: 1797800 19.5274 -3.06525 34.1146 -1.47156 65.0815 27.6772 29.9171 26.1023 -37.1114 TIMING: 1797800 CPU: 5421.43, 0.00301244/step Wall: 5421.43, 0.00301244/step, 2.67957 hours remaining, 208.902344 MB of memory in use. ENERGY: 1797800 734.7498 2099.2758 1951.1251 118.3974 -205534.8922 17535.8299 0.0000 0.0000 34242.7183 -148852.7959 299.0502 -183095.5142 -148755.1443 300.4229 -120.9022 -87.9262 558404.4219 15.8464 15.8325 PRESSURE: 1798000 -103.711 -57.9633 153.751 -57.9621 27.2844 -39.2393 153.751 -39.2385 91.2123 GPRESSURE: 1798000 -43.1438 -44.5442 172.882 -32.2845 80.5655 -37.0313 198.125 -24.5152 69.6491 PRESSAVG: 1798000 -31.7338 -13.7769 9.26944 -13.7769 21.123 -14.1377 9.26927 -14.1376 34.8076 GPRESSAVG: 1798000 -31.0575 -14.479 6.03101 -12.3929 20.7321 -14.9292 12.0832 -12.7155 34.6396 TIMING: 1798000 CPU: 5422.03, 0.0030176/step Wall: 5422.03, 0.0030176/step, 2.68399 hours remaining, 208.902344 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: 1798000 744.3068 2062.0636 1960.2226 109.7306 -205942.7108 17772.0198 0.0000 0.0000 34260.8006 -149033.5668 299.2081 -183294.3674 -148939.2134 299.9051 4.9285 35.6902 558057.2579 8.0656 8.1048 PRESSURE: 1798200 -248.763 161.478 66.3271 161.478 45.9533 63.8778 66.3275 63.8768 -292.945 GPRESSURE: 1798200 -240.893 102.22 63.2276 99.8961 23.2818 39.8038 80.0121 171.721 -169.844 PRESSAVG: 1798200 -35.7516 -1.14239 12.2151 -1.1423 30.988 58.097 12.2151 58.097 -12.9891 GPRESSAVG: 1798200 -36.486 -1.76862 13.5964 -1.42838 31.1348 57.9399 10.2352 59.5882 -11.9843 TIMING: 1798200 CPU: 5422.64, 0.00302962/step Wall: 5422.64, 0.00302962/step, 2.69451 hours remaining, 208.902344 MB of memory in use. ENERGY: 1798200 746.3229 2076.0757 1934.9158 100.5911 -205628.5123 17476.7087 0.0000 0.0000 34287.9345 -149005.9636 299.4451 -183293.8981 -148908.9341 300.0342 -165.2514 -129.1517 558985.7096 -5.9176 -5.7785 PRESSURE: 1798400 142.028 -18.881 -74.9982 -18.881 243.876 136.921 -74.9987 136.919 49.9748 GPRESSURE: 1798400 222.048 18.0091 -1.84481 67.9574 234.222 107.563 -180.304 159.505 75.0092 PRESSAVG: 1798400 -22.5782 26.7638 -17.5782 26.7638 -38.7185 -1.19403 -17.5782 -1.19405 71.3707 GPRESSAVG: 1798400 -22.0318 27.2276 -16.3918 26.7665 -39.7405 -1.5334 -16.6323 -3.82423 71.3732 TIMING: 1798400 CPU: 5423.24, 0.00300437/step Wall: 5423.24, 0.00300437/step, 2.67189 hours remaining, 208.902344 MB of memory in use. ENERGY: 1798400 709.0554 2084.5076 1960.3590 102.9810 -206297.5832 18051.2288 0.0000 0.0000 34360.5778 -149028.8737 300.0795 -183389.4514 -148935.8058 299.6526 145.2930 177.0930 557828.2358 3.3580 3.2003 PRESSURE: 1798600 334.228 -112.747 139.306 -112.746 -74.4308 36.0893 139.307 36.0895 -40.885 GPRESSURE: 1798600 369.65 -88.0339 135.556 -104.629 -23.6211 30.0493 125.329 -31.838 -28.9794 PRESSAVG: 1798600 91.2029 12.4296 34.8201 12.4296 -28.2768 -17.9512 34.8201 -17.9512 -48.5201 GPRESSAVG: 1798600 91.4457 13.2907 33.881 12.7548 -26.987 -19.0456 35.1363 -15.2891 -49.772 TIMING: 1798600 CPU: 5423.84, 0.00301156/step Wall: 5423.84, 0.00301156/step, 2.67811 hours remaining, 208.902344 MB of memory in use. ENERGY: 1798600 776.1581 2079.4833 1951.1802 113.6605 -206354.0401 18020.0329 0.0000 0.0000 34540.6136 -148872.9116 301.6518 -183413.5252 -148782.1927 300.0788 72.9706 105.6831 557953.3803 4.8020 4.8955 PRESSURE: 1798800 -264.826 46.412 -49.1336 46.4121 -93.2973 64.3176 -49.1339 64.3173 -268.731 GPRESSURE: 1798800 -168.784 -14.225 -3.10609 113.609 -100.288 -0.999502 -47.7162 187.69 -260.979 PRESSAVG: 1798800 6.14073 -8.87424 36.5081 -8.87431 -41.2195 2.98898 36.508 2.98903 16.8368 GPRESSAVG: 1798800 5.89949 -10.3671 36.1883 -10.4932 -41.1151 4.05456 37.0191 1.47529 16.9652 TIMING: 1798800 CPU: 5424.45, 0.00302402/step Wall: 5424.45, 0.00302402/step, 2.68903 hours remaining, 208.902344 MB of memory in use. ENERGY: 1798800 729.4351 2108.8481 1928.2933 104.0313 -205517.8627 17401.7722 0.0000 0.0000 34199.3988 -149046.0840 298.6719 -183245.4827 -148954.7740 299.5352 -208.9512 -176.6840 558310.6471 -6.0806 -6.0835 PRESSURE: 1799000 -221.43 -166.015 -174.337 -166.016 56.2245 36.4792 -174.336 36.4808 -310.44 GPRESSURE: 1799000 -117.939 -194.616 -247.09 -200.85 24.5668 93.4061 -49.9586 -62.1739 -283.71 PRESSAVG: 1799000 44.4366 -14.7215 40.1905 -14.7215 -31.2919 27.6794 40.1904 27.6794 -4.31765 GPRESSAVG: 1799000 45.0104 -15.4695 39.9535 -12.4295 -31.8503 28.8062 40.9784 27.3765 -3.56306 TIMING: 1799000 CPU: 5425.05, 0.00302417/step Wall: 5425.05, 0.00302417/step, 2.68899 hours remaining, 208.902344 MB of memory in use. ENERGY: 1799000 753.5710 2036.3456 1929.8570 108.0862 -206028.8530 17740.4664 0.0000 0.0000 34199.6376 -149260.8892 298.6739 -183460.5268 -149169.1368 298.8178 -158.5486 -125.6942 560416.3842 2.9423 3.1990 PRESSURE: 1799200 -175.262 -99.1381 28.3133 -99.1378 -122.32 29.1209 28.3129 29.1199 -158.086 GPRESSURE: 1799200 -116.58 -85.6436 60.1329 -52.9063 -146.092 35.9688 14.2719 48.329 -96.8551 PRESSAVG: 1799200 -40.7062 31.3852 48.6972 31.3854 -41.1741 17.5294 48.6972 17.5294 19.333 GPRESSAVG: 1799200 -41.6088 32.47 46.8926 31.5058 -40.6494 16.7185 48.0333 17.8778 19.8513 TIMING: 1799200 CPU: 5425.66, 0.0030269/step Wall: 5425.66, 0.0030269/step, 2.69125 hours remaining, 208.902344 MB of memory in use. ENERGY: 1799200 761.8569 2043.2260 1953.8906 111.5122 -206024.2644 17727.2920 0.0000 0.0000 34239.5548 -149186.9320 299.0225 -183426.4868 -149081.7892 298.3483 -151.8895 -119.8422 559118.4716 -20.8491 -20.8023 PRESSURE: 1799400 15.4072 -109.763 6.37096 -109.763 180.444 -46.7199 6.37081 -46.7177 56.0353 GPRESSURE: 1799400 9.59505 -141.181 108.044 -49.6931 251.067 84.8318 -63.0811 -62.9246 79.0117 PRESSAVG: 1799400 -19.3777 -11.1512 39.2094 -11.1512 -44.4293 32.3538 39.2093 32.3537 23.3663 GPRESSAVG: 1799400 -18.4728 -8.82105 42.6442 -15.0196 -44.9018 33.1834 36.9803 32.925 22.8723 TIMING: 1799400 CPU: 5426.26, 0.00303736/step Wall: 5426.26, 0.00303736/step, 2.70039 hours remaining, 208.902344 MB of memory in use. ENERGY: 1799400 781.6547 2071.8227 1959.3736 113.5503 -206249.4520 17884.6627 0.0000 0.0000 34118.0116 -149320.3765 297.9611 -183438.3881 -149237.2551 298.2788 83.9621 113.2246 556449.9708 -13.4802 -13.5008 PRESSURE: 1799600 169.623 -56.217 104.693 -56.2178 -134.263 270.433 104.695 270.432 -23.0933 GPRESSURE: 1799600 152.28 -21.5104 132.679 -51.7487 -133.315 208.604 24.2142 225.136 103.931 PRESSAVG: 1799600 -44.9398 -42.7467 -45.0271 -42.7466 -11.1165 54.4033 -45.0271 54.4033 84.0413 GPRESSAVG: 1799600 -46.3397 -44.2372 -46.5819 -40.0701 -9.81421 54.3542 -44.9087 53.2369 83.8968 TIMING: 1799600 CPU: 5426.88, 0.00305878/step Wall: 5426.88, 0.00305878/step, 2.71926 hours remaining, 208.902344 MB of memory in use. ENERGY: 1799600 730.8929 2067.5587 1942.1085 102.0218 -206284.7446 17723.3698 0.0000 0.0000 34318.5218 -149400.2711 299.7122 -183718.7928 -149309.7491 299.0923 4.0891 40.9655 557214.0837 9.3283 9.2476 PRESSURE: 1799800 -154.075 -87.038 -11.9126 -87.0378 -178.603 105.422 -11.9126 105.422 -66.8749 GPRESSURE: 1799800 -186.422 -55.2692 -24.3184 -122.296 -148.317 92.9547 -10.2451 81.0307 31.4154 PRESSAVG: 1799800 -7.74445 -45.7741 -15.3899 -45.7741 -59.315 21.3233 -15.3901 21.3234 35.3504 GPRESSAVG: 1799800 -7.22684 -45.1861 -14.6822 -47.3144 -59.9972 20.4788 -15.362 22.3279 35.3216 TIMING: 1799800 CPU: 5427.49, 0.00308276/step Wall: 5427.49, 0.00308276/step, 2.7404 hours remaining, 208.902344 MB of memory in use. ENERGY: 1799800 742.7595 2102.7104 1964.8875 109.2371 -205691.8243 17392.3035 0.0000 0.0000 34128.1101 -149251.8161 298.0493 -183379.9262 -149158.6642 298.5674 -133.1843 -101.1079 558336.2629 -10.5697 -10.6342 PRESSURE: 1800000 131.724 -55.6249 -40.265 -55.625 -24.769 73.6363 -40.2653 73.6387 256.227 GPRESSURE: 1800000 144.698 -114.259 -63.2277 1.48192 46.4028 112.899 26.8537 6.49294 254.97 PRESSAVG: 1800000 -1.02012 31.9064 -33.9424 31.9064 -21.42 48.8307 -33.9423 48.8308 45.8524 GPRESSAVG: 1800000 -0.852394 31.2526 -34.7781 32.0163 -21.6852 50.7664 -32.3167 48.0068 47.0133 TIMING: 1800000 CPU: 5428.1, 0.00303338/step Wall: 5428.1, 0.00303338/step, 2.69633 hours remaining, 208.902344 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: 1800000 740.7115 2118.5280 1947.9104 120.0047 -206448.0987 17971.9219 0.0000 0.0000 34390.7639 -149158.2584 300.3431 -183549.0223 -149071.1644 298.8082 121.0607 148.6901 557908.9397 7.8041 8.1585 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1800000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 1800000 WRITING COORDINATES TO RESTART FILE AT STEP 1800000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1800200 -175.681 98.6168 63.7559 98.6172 -145.914 66.3607 63.7564 66.361 -261.046 GPRESSURE: 1800200 -202.188 163.528 41.0165 -13.5553 -137.3 53.9993 37.831 12.7738 -157.834 PRESSAVG: 1800200 -63.9424 23.5373 38.2689 23.5373 -29.13 64.1821 38.2689 64.1822 83.1731 GPRESSAVG: 1800200 -64.8185 25.9372 40.211 22.2162 -28.0875 62.9766 37.9447 63.7594 82.3916 TIMING: 1800200 CPU: 5428.72, 0.00309392/step Wall: 5428.72, 0.00309392/step, 2.74998 hours remaining, 209.027344 MB of memory in use. ENERGY: 1800200 743.1699 2090.8220 1954.1396 110.4146 -205829.0039 17443.3507 0.0000 0.0000 34178.8574 -149308.2498 298.4925 -183487.1072 -149209.1311 298.6181 -194.2135 -165.7739 558796.1031 -3.2998 -3.5048 LDB: ============= START OF LOAD BALANCING ============== 5432.24 LDB: ============== END OF LOAD BALANCING =============== 5432.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5432.24 LDB: ============= START OF LOAD BALANCING ============== 5432.54 LDB: Largest compute 4800 load 0.032223 is 27.3% of average load 0.117959 LDB: Average compute 0.001736 is 1.5% of average load 0.117959 LDB: TIME 5432.54 LOAD: AVG 0.117959 MAX 0.211377 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.703 MB LDB: TIME 5432.54 LOAD: AVG 0.117959 MAX 0.211377 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.773 MB LDB: TIME 5432.54 LOAD: AVG 0.117959 MAX 0.211377 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.773 MB LDB: ============== END OF LOAD BALANCING =============== 5432.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5432.55 PRESSURE: 1800400 -244.13 -98.2765 64.5896 -98.2772 -213.42 89.4899 64.5891 89.4913 -303.144 GPRESSURE: 1800400 -254.487 -193.524 88.8657 -138.158 -134.622 146.274 98.1602 41.7618 -266.119 PRESSAVG: 1800400 18.7593 -21.7243 -3.90089 -21.7243 58.67 9.49321 -3.90092 9.49324 -67.4132 GPRESSAVG: 1800400 17.8441 -24.7036 -6.21369 -20.2544 58.6434 8.54922 -2.86525 7.23973 -66.2182 TIMING: 1800400 CPU: 5429.33, 0.00307132/step Wall: 5429.33, 0.00307132/step, 2.72972 hours remaining, 208.644531 MB of memory in use. ENERGY: 1800400 752.7531 2121.7283 1920.3297 119.1599 -206131.9087 17543.7016 0.0000 0.0000 34163.1230 -149511.1133 298.3550 -183674.2363 -149421.9710 298.6011 -253.5648 -218.4093 557635.0894 3.3387 3.4231 PRESSURE: 1800600 -60.5863 64.0099 -83.4937 64.0094 -215.732 29.2629 -83.4942 29.2624 -53.1961 GPRESSURE: 1800600 -20.1255 -7.84666 -107.825 84.3891 -154.616 30.5289 -87.8176 128.128 -58.4188 PRESSAVG: 1800600 -5.69767 -2.60293 -19.5804 -2.60298 -0.792819 6.52647 -19.5803 6.52641 48.9953 GPRESSAVG: 1800600 -5.31684 -1.94103 -19.2187 -4.22884 -0.424019 8.23643 -20.5942 8.05062 48.6467 TIMING: 1800600 CPU: 5429.93, 0.00301367/step Wall: 5429.93, 0.00301367/step, 2.67831 hours remaining, 209.105469 MB of memory in use. ENERGY: 1800600 738.1108 2096.8752 1923.1803 113.7526 -206176.6348 17604.9583 0.0000 0.0000 34299.4376 -149400.3200 299.5455 -183699.7576 -149298.7182 298.7732 -109.8382 -77.7201 557185.4251 14.1683 14.3020 PRESSURE: 1800800 -180.015 -85.6197 -124.731 -85.6184 14.5417 -29.22 -124.731 -29.2208 -142.85 GPRESSURE: 1800800 -197.885 -114.478 7.51231 -151.631 62.2199 -53.8022 -224.219 -53.0652 -89.5772 PRESSAVG: 1800800 24.6944 -16.5767 -1.10998 -16.5766 -46.0676 0.571622 -1.10989 0.571639 3.74171 GPRESSAVG: 1800800 25.9676 -16.6971 -1.9625 -13.8948 -46.5527 -0.0528605 -0.784586 0.0328419 2.92301 TIMING: 1800800 CPU: 5430.53, 0.00298838/step Wall: 5430.53, 0.00298838/step, 2.65567 hours remaining, 209.105469 MB of memory in use. ENERGY: 1800800 821.7223 2116.1374 1940.4788 104.9081 -206363.0515 17897.4622 0.0000 0.0000 34134.0354 -149348.3072 298.1010 -183482.3425 -149258.8681 298.4501 -102.7745 -75.0808 556590.2039 -5.8772 -5.8874 PRESSURE: 1801000 -369.404 -41.7982 20.8359 -41.7987 -240.88 -30.8133 20.8362 -30.814 -10.2959 GPRESSURE: 1801000 -336.638 20.3764 -20.5809 -88.2825 -215.541 -82.4099 -26.3067 5.67552 33.7808 PRESSAVG: 1801000 -9.80364 -33.9198 0.79316 -33.9197 -15.005 4.94878 0.793145 4.9487 63.0001 GPRESSAVG: 1801000 -11.0184 -34.5802 -0.063379 -32.8343 -15.5089 4.28552 0.474981 7.90749 64.6809 TIMING: 1801000 CPU: 5431.13, 0.00299196/step Wall: 5431.13, 0.00299196/step, 2.65869 hours remaining, 209.105469 MB of memory in use. ENERGY: 1801000 728.4164 2134.7146 1923.8652 120.1617 -205844.4312 17434.4408 0.0000 0.0000 33994.3119 -149508.5206 296.8808 -183502.8325 -149404.5984 298.7326 -206.8599 -172.7997 557347.7647 12.7305 12.7179 PRESSURE: 1801200 386.656 17.8174 -150.506 17.817 -57.6849 -19.2336 -150.507 -19.2324 371.691 GPRESSURE: 1801200 414.818 102.317 -176.001 -160.1 9.65055 -51.0325 -144.873 44.006 364.002 PRESSAVG: 1801200 34.1485 -21.3451 -34.439 -21.3451 -50.8763 26.0445 -34.4389 26.0447 -8.71681 GPRESSAVG: 1801200 34.5067 -20.4888 -32.4269 -23.2046 -49.5816 28.157 -35.0522 23.2967 -10.5373 TIMING: 1801200 CPU: 5431.74, 0.00302845/step Wall: 5431.74, 0.00302845/step, 2.69095 hours remaining, 209.175781 MB of memory in use. ENERGY: 1801200 744.2420 2046.2656 1940.9847 102.6928 -206641.0620 18147.9461 0.0000 0.0000 34320.0327 -149338.8981 299.7254 -183658.9308 -149244.7812 299.0701 233.5539 262.8237 556114.5068 -8.4815 -8.5374 PRESSURE: 1801400 -201.333 -31.6497 121.608 -31.6494 219.092 149.266 121.607 149.267 -82.4337 GPRESSURE: 1801400 -145.798 32.1048 196.097 -115.834 207.321 190.808 55.7298 97.8573 -40.1441 PRESSAVG: 1801400 6.57589 89.0671 -37.946 89.067 -14.5135 -47.6001 -37.9459 -47.6 33.4385 GPRESSAVG: 1801400 6.03041 87.011 -36.2429 91.2225 -14.9395 -49.7038 -38.891 -46.8782 34.0133 TIMING: 1801400 CPU: 5432.34, 0.0030003/step Wall: 5432.34, 0.0030003/step, 2.66577 hours remaining, 209.175781 MB of memory in use. ENERGY: 1801400 745.7839 2090.5923 1932.9958 111.2876 -206141.8196 17695.5402 0.0000 0.0000 34159.6059 -149406.0139 298.3243 -183565.6198 -149298.0841 298.5577 -21.5582 7.1263 557202.7383 8.5003 8.3681 PRESSURE: 1801600 -270.6 110.808 52.1602 110.807 3.53428 -82.0631 52.1604 -82.0631 -155.638 GPRESSURE: 1801600 -186.149 67.8135 -23.3108 71.5041 24.1041 -134.79 68.8957 -41.1456 -170.143 PRESSAVG: 1801600 -2.83624 30.7901 28.6576 30.7901 29.0079 6.05783 28.6576 6.0578 2.24091 GPRESSAVG: 1801600 -1.34235 32.8161 25.6004 28.9701 28.3632 6.97186 28.2041 6.39715 1.57536 TIMING: 1801600 CPU: 5432.94, 0.00299382/step Wall: 5432.94, 0.00299382/step, 2.65984 hours remaining, 209.175781 MB of memory in use. ENERGY: 1801600 749.0915 2068.9824 1928.0563 119.2884 -206329.8664 17803.3968 0.0000 0.0000 34139.3654 -149521.6855 298.1476 -183661.0510 -149430.3394 298.9207 -140.9012 -110.7293 557785.7080 9.4709 9.5321 PRESSURE: 1801800 168.202 83.533 -19.5641 83.5339 -68.7855 129.35 -19.5639 129.349 -39.7913 GPRESSURE: 1801800 186.161 70.012 2.41948 67.6284 -89.1681 37.0769 -55.4465 164.397 41.9253 PRESSAVG: 1801800 -1.51247 63.0581 -13.4519 63.0582 -49.0317 -6.92403 -13.4519 -6.92412 9.14519 GPRESSAVG: 1801800 -0.237581 61.7424 -10.2184 64.1597 -49.244 -7.76636 -10.7536 -6.91606 8.36376 TIMING: 1801800 CPU: 5433.54, 0.00300994/step Wall: 5433.54, 0.00300994/step, 2.674 hours remaining, 209.175781 MB of memory in use. ENERGY: 1801800 727.9454 2104.8162 1917.4449 101.2430 -206698.6698 18095.7904 0.0000 0.0000 33988.9627 -149762.4672 296.8341 -183751.4299 -149660.2694 298.2077 19.8749 46.3060 556011.5817 -13.7997 -13.7059 PRESSURE: 1802000 -15.5465 0.725835 149.164 0.724093 -222.977 -21.4217 149.164 -21.4228 -146.785 GPRESSURE: 1802000 -21.1198 -68.5002 169.917 31.1874 -194.69 -43.4714 108.32 35.791 -70.8819 PRESSAVG: 1802000 -5.72745 -22.3441 3.91979 -22.3441 -18.5823 -12.3823 3.91975 -12.3822 15.65 GPRESSAVG: 1802000 -7.33579 -21.6622 3.34121 -22.7404 -18.4441 -11.7332 3.99527 -12.0677 16.9864 TIMING: 1802000 CPU: 5434.14, 0.00301195/step Wall: 5434.14, 0.00301195/step, 2.67561 hours remaining, 209.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1802000 753.3711 2063.9413 1955.1272 105.1381 -206401.8709 17759.0280 0.0000 0.0000 34253.7917 -149511.4736 299.1469 -183765.2652 -149412.2011 298.9099 -128.4360 -95.5639 557209.8828 -2.8866 -2.9311 PRESSURE: 1802200 -403.339 71.2684 95.4874 71.2686 -52.6715 -45.2604 95.4877 -45.2601 -294.779 GPRESSURE: 1802200 -374.286 9.00074 106.273 71.9336 -43.4239 -18.4694 109.745 -52.9803 -234.531 PRESSAVG: 1802200 -19.9488 14.8738 23.3958 14.8738 6.19282 -12.8045 23.3957 -12.8046 1.59375 GPRESSAVG: 1802200 -20.4017 14.4225 23.1959 13.0969 6.31881 -11.9458 21.152 -12.9772 1.93319 TIMING: 1802200 CPU: 5434.74, 0.00299935/step Wall: 5434.74, 0.00299935/step, 2.66426 hours remaining, 209.175781 MB of memory in use. ENERGY: 1802200 764.1281 2093.2975 1905.7033 119.1385 -206087.3581 17733.7867 0.0000 0.0000 34007.2587 -149464.0454 296.9938 -183471.3041 -149368.4091 299.1453 -250.2632 -217.4135 558323.9200 -4.0541 -4.0499 PRESSURE: 1802400 23.0586 25.1869 77.7419 25.1875 99.8544 58.1962 77.7409 58.1958 -131.677 GPRESSURE: 1802400 15.9106 -110.4 25.7705 17.9659 153.641 -35.2697 111.192 113.773 -75.5911 PRESSAVG: 1802400 30.3271 10.5251 -36.1858 10.5251 89.9565 -22.9267 -36.1858 -22.9268 -119.685 GPRESSAVG: 1802400 31.2289 10.8288 -37.7117 11.8955 90.0863 -24.1598 -34.2789 -19.2725 -120.969 TIMING: 1802400 CPU: 5435.34, 0.00301437/step Wall: 5435.34, 0.00301437/step, 2.67743 hours remaining, 209.175781 MB of memory in use. ENERGY: 1802400 744.2009 2157.3887 1915.8377 106.9930 -206826.2510 18062.6543 0.0000 0.0000 34315.5782 -149523.5982 299.6865 -183839.1764 -149430.8484 298.5069 -2.9212 31.3203 557891.5742 0.1995 0.1154 PRESSURE: 1802600 -187.222 242.019 -104.718 242.018 -185.974 12.3837 -104.718 12.3842 -137.048 GPRESSURE: 1802600 -158.141 130.751 -155.329 266.325 -113.248 111.298 -95.6203 -44.7576 -150.011 PRESSAVG: 1802600 5.41944 23.6015 -4.50134 23.6015 53.528 31.3745 -4.50129 31.3744 -18.9925 GPRESSAVG: 1802600 5.29028 22.816 -2.92391 24.2256 52.6975 31.1764 -6.84621 28.8049 -17.7381 TIMING: 1802600 CPU: 5435.95, 0.00302878/step Wall: 5435.95, 0.00302878/step, 2.69007 hours remaining, 209.175781 MB of memory in use. ENERGY: 1802600 794.8926 2046.3882 1897.5251 99.1142 -206230.0892 17651.1775 0.0000 0.0000 34125.2258 -149615.7658 298.0241 -183740.9916 -149516.1278 298.0843 -170.0816 -140.4665 559251.8821 13.3183 13.4166 PRESSURE: 1802800 144.021 -39.2039 -99.9979 -39.2037 -145.828 -16.9935 -99.997 -16.9934 -157.5 GPRESSURE: 1802800 96.5832 -76.6788 -84.9855 5.81209 -83.5642 -29.5112 -87.8662 -50.924 -88.3105 PRESSAVG: 1802800 16.6848 -3.10144 -35.0962 -3.10143 -43.4088 -6.27163 -35.0962 -6.27165 -1.52049 GPRESSAVG: 1802800 15.598 -2.14249 -34.6696 -4.62939 -40.9449 -6.44345 -33.8904 -6.18774 -2.81731 TIMING: 1802800 CPU: 5436.55, 0.00300742/step Wall: 5436.55, 0.00300742/step, 2.67092 hours remaining, 209.175781 MB of memory in use. ENERGY: 1802800 758.4940 2185.6186 1920.2981 106.1250 -206574.6827 17834.0720 0.0000 0.0000 34071.5165 -149698.5586 297.5550 -183770.0750 -149604.9385 297.1520 -53.1022 -25.0972 556649.8602 -9.4148 -9.3881 PRESSURE: 1803000 2.30103 34.6969 -122.85 34.6961 138.391 -67.9004 -122.849 -67.899 -23.6355 GPRESSURE: 1803000 35.6057 -9.70407 -103.069 68.9901 172.864 -109.451 -67.2634 47.3603 9.85695 PRESSAVG: 1803000 32.4401 22.1155 -31.5165 22.1155 44.6565 15.5852 -31.5165 15.5851 -10.2246 GPRESSAVG: 1803000 32.3047 23.6042 -31.1509 22.2673 43.6396 15.9648 -31.6438 15.3874 -8.79932 TIMING: 1803000 CPU: 5437.16, 0.00303455/step Wall: 5437.16, 0.00303455/step, 2.69485 hours remaining, 209.175781 MB of memory in use. ENERGY: 1803000 730.2296 2107.8944 1901.4432 107.1705 -206591.5934 17870.6760 0.0000 0.0000 34163.1993 -149710.9803 298.3557 -183874.1796 -149617.2987 298.2481 39.0190 72.7754 556080.4379 22.2907 22.3817 PRESSURE: 1803200 -90.6208 38.1383 26.5933 38.1386 -165.822 -59.8314 26.5942 -59.8317 -354.231 GPRESSURE: 1803200 -50.4384 -11.0381 -31.8539 -45.9722 -123.653 -15.961 36.0289 -16.0142 -346.613 PRESSAVG: 1803200 4.21197 47.6593 -10.5905 47.6593 4.66809 12.4954 -10.5905 12.4953 3.9419 GPRESSAVG: 1803200 5.32686 46.5756 -12.4963 47.0365 5.11169 14.5382 -10.0401 11.719 3.16652 TIMING: 1803200 CPU: 5437.76, 0.00300105/step Wall: 5437.76, 0.00300105/step, 2.66493 hours remaining, 209.175781 MB of memory in use. ENERGY: 1803200 756.4496 2070.3354 1922.4871 115.1108 -206176.6633 17533.5388 0.0000 0.0000 34156.7541 -149621.9875 298.2994 -183778.7416 -149530.8806 298.6199 -203.5578 -173.5680 556717.5126 4.2740 4.5350 PRESSURE: 1803400 72.55 -22.6888 103.983 -22.6871 -339.281 81.3464 103.982 81.3458 40.5113 GPRESSURE: 1803400 127.173 77.5402 161.893 -41.8613 -307.223 -0.742983 35.7535 97.6812 58.3791 PRESSAVG: 1803400 32.8416 -20.961 0.329399 -20.9611 -3.50803 -29.7771 0.32934 -29.777 -54.9997 GPRESSAVG: 1803400 33.62 -20.0343 0.730217 -22.2579 -4.05144 -32.0758 0.0087869 -28.6464 -55.1183 TIMING: 1803400 CPU: 5438.35, 0.00297837/step Wall: 5438.35, 0.00297837/step, 2.64463 hours remaining, 209.175781 MB of memory in use. ENERGY: 1803400 725.4079 2108.4009 1910.6705 113.9728 -205991.2897 17760.1580 0.0000 0.0000 33861.1126 -149511.5669 295.7175 -183372.6795 -149415.9324 298.5742 -75.4066 -40.5569 556684.3935 -8.5554 -8.5166 PRESSURE: 1803600 296.708 18.9145 117.784 18.9155 119.996 -29.3101 117.784 -29.3098 46.6573 GPRESSURE: 1803600 265.675 33.5653 65.9894 15.1883 167.317 -39.2315 130.306 -49.6264 136.604 PRESSAVG: 1803600 14.5947 -52.9553 -13.0954 -52.9553 6.33634 -12.795 -13.0953 -12.795 16.4781 GPRESSAVG: 1803600 12.7088 -54.709 -11.9921 -50.6726 6.67336 -13.4294 -11.9391 -12.4956 17.3419 TIMING: 1803600 CPU: 5438.96, 0.00303853/step Wall: 5438.96, 0.00303853/step, 2.69788 hours remaining, 209.175781 MB of memory in use. ENERGY: 1803600 725.3442 2075.7489 1942.5416 110.9706 -206538.2156 18086.9315 0.0000 0.0000 34144.1238 -149452.5550 298.1891 -183596.6788 -149354.5940 298.7588 154.4539 189.8651 556066.5197 12.4697 12.2414 PRESSURE: 1803800 13.1548 17.9464 -16.5819 17.9453 140.611 236.394 -16.5818 236.396 65.2235 GPRESSURE: 1803800 42.1741 -46.2555 -15.9836 -2.86684 216.394 148.387 70.5301 258.206 59.8012 PRESSAVG: 1803800 -21.1462 0.0171594 -2.0696 0.0171485 67.5486 -18.9303 -2.06964 -18.9304 -16.28 GPRESSAVG: 1803800 -20.4571 1.2189 -2.76575 0.913231 68.3395 -19.0256 -1.60494 -20.1325 -17.4664 TIMING: 1803800 CPU: 5439.56, 0.00300424/step Wall: 5439.56, 0.00300424/step, 2.66726 hours remaining, 209.175781 MB of memory in use. ENERGY: 1803800 734.9389 2101.3773 1930.0364 110.5317 -206645.3022 18020.6159 0.0000 0.0000 34273.8963 -149473.9056 299.3225 -183747.8020 -149378.7469 298.3418 72.9965 106.1231 556678.4343 10.0408 10.1386 PRESSURE: 1804000 -81.2174 18.6986 1.84494 18.6991 71.0127 -28.4063 1.84547 -28.4069 -183.367 GPRESSURE: 1804000 -107.552 100.727 36.4895 -50.8503 122.75 42.7626 -52.0871 -88.8214 -124.239 PRESSAVG: 1804000 -31.6822 -64.2489 -19.243 -64.249 -70.2584 -0.793063 -19.243 -0.793186 65.7823 GPRESSAVG: 1804000 -31.9846 -63.2962 -19.5549 -66.5489 -71.5656 1.76078 -20.2121 -0.573766 67.2348 TIMING: 1804000 CPU: 5440.16, 0.00299341/step Wall: 5440.16, 0.00299341/step, 2.65749 hours remaining, 209.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1804000 712.5444 2051.8917 1920.5572 119.6350 -205974.0488 17587.6594 0.0000 0.0000 34147.8639 -149433.8972 298.2218 -183581.7611 -149336.9731 298.4331 -64.5238 -36.3471 557480.4441 -12.0528 -12.1051 PRESSURE: 1804200 38.4973 -12.6308 248.684 -12.6296 -196.76 -8.92328 248.684 -8.92231 -35.9385 GPRESSURE: 1804200 116.073 -21.9798 103.364 19.3605 -160.444 -120.714 329.858 12.2002 -52.0233 PRESSAVG: 1804200 44.7487 -24.9717 11.6918 -24.9717 -62.6878 40.1461 11.6919 40.146 59.9218 GPRESSAVG: 1804200 46.2725 -26.1313 11.0096 -23.2861 -62.4931 37.2435 12.0776 39.6291 57.9902 TIMING: 1804200 CPU: 5440.76, 0.00301776/step Wall: 5440.76, 0.00301776/step, 2.67893 hours remaining, 209.175781 MB of memory in use. ENERGY: 1804200 774.0320 2090.1976 1880.5078 114.1548 -206204.6351 17929.4785 0.0000 0.0000 34052.8115 -149363.4529 297.3917 -183416.2643 -149269.5305 298.8070 -64.7336 -32.1317 559275.4772 13.9942 13.9232 LDB: ============= START OF LOAD BALANCING ============== 5444.28 LDB: ============== END OF LOAD BALANCING =============== 5444.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5444.28 LDB: ============= START OF LOAD BALANCING ============== 5444.58 LDB: Largest compute 4800 load 0.030747 is 26.1% of average load 0.118006 LDB: Average compute 0.001728 is 1.5% of average load 0.118006 LDB: TIME 5444.59 LOAD: AVG 0.118006 MAX 0.21165 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.734 MB LDB: TIME 5444.59 LOAD: AVG 0.118006 MAX 0.21165 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.797 MB LDB: TIME 5444.59 LOAD: AVG 0.118006 MAX 0.21165 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.797 MB LDB: ============== END OF LOAD BALANCING =============== 5444.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5444.59 PRESSURE: 1804400 -204.633 61.301 102.356 61.3015 -129.411 93.5219 102.355 93.5205 -51.2658 GPRESSURE: 1804400 -199.33 19.2967 124.262 -30.048 -115.991 57.8984 150.681 34.0183 26.8287 PRESSAVG: 1804400 10.3262 -32.6096 -26.2634 -32.6097 -20.9104 -3.5602 -26.2634 -3.56018 2.87649 GPRESSAVG: 1804400 8.61205 -32.3571 -25.9327 -32.6065 -20.5118 -2.09728 -27.1941 -2.68227 4.72007 TIMING: 1804400 CPU: 5441.38, 0.00306662/step Wall: 5441.38, 0.00306662/step, 2.72214 hours remaining, 209.617188 MB of memory in use. ENERGY: 1804400 715.8471 2097.4371 1884.6310 108.3191 -205972.0497 17569.8456 0.0000 0.0000 34232.0506 -149363.9191 298.9570 -183595.9698 -149266.1257 298.2667 -128.4366 -96.1644 558162.0666 -2.5692 -2.3932 PRESSURE: 1804600 -283.864 44.4812 -77.6144 44.4818 -202.137 -155.658 -77.6157 -155.658 99.0583 GPRESSURE: 1804600 -216.361 64.1602 -118.228 9.84073 -130.264 -133.152 -114.554 -116.762 60.3865 PRESSAVG: 1804600 -3.98562 -47.9877 40.3861 -47.9877 -72.5024 -7.01535 40.386 -7.01538 32.3748 GPRESSAVG: 1804600 -3.9891 -49.7002 40.6585 -48.073 -72.3736 -7.24078 40.737 -8.37852 32.388 TIMING: 1804600 CPU: 5441.98, 0.00300433/step Wall: 5441.98, 0.00300433/step, 2.66668 hours remaining, 209.628906 MB of memory in use. ENERGY: 1804600 742.4696 2028.9978 1927.2192 110.1068 -205961.7139 17502.9393 0.0000 0.0000 34249.8839 -149400.0971 299.1128 -183649.9810 -149301.5856 298.8264 -128.9809 -95.4128 556752.2541 -14.7044 -14.6583 PRESSURE: 1804800 23.1877 33.8501 53.93 33.8496 226.459 -93.8281 53.9305 -93.8256 101.205 GPRESSURE: 1804800 7.12184 3.98768 122.033 -7.77004 272.632 -60.1563 -42.7089 -89.6034 165.681 PRESSAVG: 1804800 -71.9722 -1.8448 21.2493 -1.84486 25.0156 -2.38182 21.2492 -2.38176 26.7765 GPRESSAVG: 1804800 -71.2923 -0.879707 20.5949 -1.40324 25.4359 -3.40365 21.7379 -0.954277 25.478 TIMING: 1804800 CPU: 5442.58, 0.00301683/step Wall: 5442.58, 0.00301683/step, 2.6776 hours remaining, 209.628906 MB of memory in use. ENERGY: 1804800 692.6589 2072.4572 1901.4163 131.8370 -206301.3294 17898.3980 0.0000 0.0000 34280.4665 -149324.0954 299.3798 -183604.5619 -149229.6858 298.5199 116.9506 148.4783 556576.8184 -6.7267 -6.7928 PRESSURE: 1805000 -175.304 27.9356 -66.3708 27.9351 -190.214 -27.7434 -66.3721 -27.7431 -94.2284 GPRESSURE: 1805000 -134.726 -8.6903 -6.60143 21.854 -183.933 -109.404 -32.5971 -59.2173 -49.1988 PRESSAVG: 1805000 66.3913 -68.711 -61.3799 -68.7111 -70.6274 -4.94948 -61.3798 -4.94954 -7.57994 GPRESSAVG: 1805000 66.6671 -69.88 -63.6017 -70.4582 -71.3108 -3.70147 -59.0381 -6.61957 -7.3948 TIMING: 1805000 CPU: 5443.19, 0.00303122/step Wall: 5443.19, 0.00303122/step, 2.6902 hours remaining, 209.628906 MB of memory in use. ENERGY: 1805000 742.9976 2074.8310 1941.2176 119.2417 -206216.2471 17508.8376 0.0000 0.0000 34349.7807 -149479.3409 299.9852 -183829.1217 -149385.8809 299.3691 -153.2489 -122.6193 557179.2820 -3.9387 -4.0128 PRESSURE: 1805200 -191.701 -44.4546 -89.4454 -44.4554 -351.174 -66.0087 -89.4461 -66.0093 -94.3622 GPRESSURE: 1805200 -212.591 -77.3725 -70.0388 16.6272 -282.745 -26.5548 -1.61031 -51.4684 -45.5278 PRESSAVG: 1805200 28.0306 11.3211 -17.6635 11.3211 -1.77795 -16.7546 -17.6635 -16.7545 -49.187 GPRESSAVG: 1805200 27.1136 13.6834 -13.9191 12.6528 -1.09627 -16.3877 -20.2042 -14.7934 -48.6866 TIMING: 1805200 CPU: 5443.79, 0.00300804/step Wall: 5443.79, 0.00300804/step, 2.66947 hours remaining, 209.628906 MB of memory in use. ENERGY: 1805200 757.6133 2127.3334 1924.1820 125.9333 -206001.9816 17579.2938 0.0000 0.0000 34063.3956 -149424.2302 297.4841 -183487.6257 -149332.7487 298.5307 -212.4123 -180.2881 558450.6456 -7.6448 -7.5564 PRESSURE: 1805400 75.8006 -143.618 -72.4008 -143.617 37.0122 -22.5903 -72.4014 -22.5905 104.918 GPRESSURE: 1805400 115.831 -192.862 -96.8304 -60.9631 85.6319 -101.203 -138.075 -12.6207 107.562 PRESSAVG: 1805400 21.423 -60.914 18.4169 -60.914 10.7435 -0.00425609 18.4169 -0.00410387 -60.2838 GPRESSAVG: 1805400 21.7699 -60.6869 15.0004 -61.1353 9.88492 -0.139623 19.4276 0.119551 -59.6017 TIMING: 1805400 CPU: 5444.39, 0.00301938/step Wall: 5444.39, 0.00301938/step, 2.67936 hours remaining, 209.628906 MB of memory in use. ENERGY: 1805400 762.3863 2019.0251 1898.4279 111.6941 -206372.0857 17856.5917 0.0000 0.0000 34192.8384 -149531.1222 298.6146 -183723.9606 -149433.2553 298.7544 72.5768 103.0083 555055.3244 -9.3725 -9.3156 PRESSURE: 1805600 44.6572 76.9031 -123.496 76.9021 -49.712 -40.6263 -123.496 -40.6263 -59.3466 GPRESSURE: 1805600 56.6227 3.52045 -30.3353 127.161 -8.60691 -20.4631 -207.499 -23.6199 -27.1428 PRESSAVG: 1805600 84.835 -16.7186 8.37357 -16.7185 -18.5239 -34.8748 8.37356 -34.8747 5.89488 GPRESSAVG: 1805600 84.3805 -17.9578 10.4325 -17.9059 -18.2025 -34.616 6.89833 -34.2896 5.93344 TIMING: 1805600 CPU: 5445, 0.00303059/step Wall: 5445, 0.00303059/step, 2.68914 hours remaining, 209.628906 MB of memory in use. ENERGY: 1805600 730.9777 2092.4429 1905.5950 109.3431 -206364.6331 17813.5812 0.0000 0.0000 34294.9750 -149417.7182 299.5065 -183712.6932 -149333.3815 298.6549 -21.4671 6.9577 556987.4505 24.0687 24.0371 PRESSURE: 1805800 167.575 94.4699 16.2346 94.47 62.6516 24.183 16.2351 24.1813 -79.3964 GPRESSURE: 1805800 166.551 123.746 -18.9478 95.7393 93.6265 14.1969 42.8527 43.933 -10.9352 PRESSAVG: 1805800 -29.6692 -1.36583 -27.4758 -1.36579 31.1497 4.44373 -27.4757 4.44371 -11.4392 GPRESSAVG: 1805800 -28.6293 -1.34588 -27.569 -0.972181 30.6711 4.21791 -24.7842 2.73209 -11.9471 TIMING: 1805800 CPU: 5445.6, 0.00302344/step Wall: 5445.6, 0.00302344/step, 2.68263 hours remaining, 209.628906 MB of memory in use. ENERGY: 1805800 765.3287 2160.3674 1912.0232 118.7613 -206540.1283 18003.5694 0.0000 0.0000 33958.9499 -149621.1284 296.5720 -183580.0783 -149532.7717 297.6979 50.2766 83.0807 557814.2645 -3.3196 -3.3018 PRESSURE: 1806000 -249.707 -10.6805 51.3427 -10.6814 33.7216 117.643 51.343 117.643 6.10968 GPRESSURE: 1806000 -207.253 -8.09939 97.9492 -112.965 57.6597 73.0599 61.7125 98.0667 52.945 PRESSAVG: 1806000 -29.2746 43.0483 -14.6094 43.0483 44.0933 67.6745 -14.6093 67.6744 42.231 GPRESSAVG: 1806000 -30.1505 44.0003 -15.5415 42.1924 45.0073 69.2074 -16.7383 67.8717 42.1285 TIMING: 1806000 CPU: 5446.2, 0.00298233/step Wall: 5446.2, 0.00298233/step, 2.64599 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: 1806000 752.3961 2099.0040 1941.5651 122.9223 -206184.1682 17713.9283 0.0000 0.0000 34068.2572 -149486.0951 297.5266 -183554.3522 -149387.8411 298.2069 -69.9584 -32.2160 556231.8983 19.0166 18.9951 PRESSURE: 1806200 -105.148 120.314 -123.087 120.313 -276.72 4.39681 -123.087 4.39528 -49.5541 GPRESSURE: 1806200 -65.4649 103.777 -122.556 66.5731 -210.31 -14.0894 -133.674 -80.1726 -67.9006 PRESSAVG: 1806200 62.8062 -3.97559 -26.7426 -3.9756 -56.6236 31.0623 -26.7425 31.0624 19.9366 GPRESSAVG: 1806200 63.6317 -4.95175 -26.0898 -3.95769 -56.8665 30.8217 -26.8663 31.7149 19.1988 TIMING: 1806200 CPU: 5446.8, 0.00300056/step Wall: 5446.8, 0.00300056/step, 2.662 hours remaining, 209.628906 MB of memory in use. ENERGY: 1806200 763.1136 2117.3911 1938.5602 108.3040 -206180.5678 17696.4780 0.0000 0.0000 34089.0294 -149467.6915 297.7080 -183556.7208 -149376.0662 298.4081 -143.8072 -114.5584 556488.1264 8.7064 8.6546 PRESSURE: 1806400 -190.642 -28.986 121.321 -28.9848 -264.748 86.8483 121.321 86.8481 112.069 GPRESSURE: 1806400 -151.482 -32.5731 107.898 -5.54492 -158.273 56.2108 137.241 111.598 59.7024 PRESSAVG: 1806400 24.8657 -7.85154 37.1285 -7.85162 -57.5984 30.9354 37.1285 30.9355 15.6129 GPRESSAVG: 1806400 22.8559 -7.32621 36.651 -6.64994 -56.5141 28.9068 37.5246 30.2559 16.584 TIMING: 1806400 CPU: 5447.4, 0.00300099/step Wall: 5447.4, 0.00300099/step, 2.66221 hours remaining, 209.628906 MB of memory in use. ENERGY: 1806400 763.9298 2121.8125 1911.4499 105.7921 -206110.6957 17704.9913 0.0000 0.0000 34020.7163 -149482.0039 297.1114 -183502.7201 -149381.2540 298.2301 -114.4401 -83.3511 557181.5181 -5.7066 -5.6914 PRESSURE: 1806600 1.99995 152.829 -101.067 152.829 -91.0543 -42.2602 -101.067 -42.2597 -82.1549 GPRESSURE: 1806600 5.63209 201.933 -78.6489 118.438 -54.6347 -14.3086 -79.7158 -20.7523 -27.0525 PRESSAVG: 1806600 61.3217 45.4885 51.7357 45.4884 -8.8072 4.17366 51.7358 4.17375 -47.9335 GPRESSAVG: 1806600 62.6786 44.4823 52.9342 45.3491 -10.7693 5.19919 50.8988 4.47368 -48.2425 TIMING: 1806600 CPU: 5448, 0.00299037/step Wall: 5448, 0.00299037/step, 2.65262 hours remaining, 209.628906 MB of memory in use. ENERGY: 1806600 724.8331 2108.3419 1934.4534 119.8014 -205978.4830 17624.5280 0.0000 0.0000 34091.4888 -149375.0363 297.7295 -183466.5251 -149278.8057 298.5907 -57.0698 -25.3517 556763.4284 1.5270 1.2222 PRESSURE: 1806800 -104.097 81.4547 -48.4257 81.4538 55.9821 -91.1887 -48.4261 -91.1886 -173.7 GPRESSURE: 1806800 -62.0978 187.774 4.00267 23.5765 89.2348 -99.2398 -48.8831 -129.325 -150.763 PRESSAVG: 1806800 36.4163 58.8112 42.678 58.8112 -3.7198 4.32891 42.6779 4.32895 -19.9892 GPRESSAVG: 1806800 36.7987 59.9757 42.2107 57.3568 -3.92436 3.44112 43.2798 3.55636 -19.7838 TIMING: 1806800 CPU: 5448.6, 0.00298528/step Wall: 5448.6, 0.00298528/step, 2.64794 hours remaining, 209.628906 MB of memory in use. ENERGY: 1806800 793.0670 2055.2497 1927.7377 99.7708 -206114.3287 17750.8399 0.0000 0.0000 34141.7990 -149345.8646 298.1688 -183487.6636 -149244.5234 298.6303 -73.9382 -41.2087 557728.2887 4.2357 4.3635 PRESSURE: 1807000 -153.925 16.5766 95.1653 16.5762 31.3624 80.3386 95.1638 80.3393 -266.687 GPRESSURE: 1807000 -91.9513 91.2013 173.97 -122.584 -2.99941 29.4038 116.761 39.2056 -184.525 PRESSAVG: 1807000 14.4197 17.2575 30.0415 17.2574 6.39909 -30.1742 30.0415 -30.1741 -83.9569 GPRESSAVG: 1807000 14.5686 16.793 30.1355 18.4448 7.17222 -29.2473 28.9705 -30.6135 -84.6994 TIMING: 1807000 CPU: 5449.19, 0.00299565/step Wall: 5449.19, 0.00299565/step, 2.65697 hours remaining, 209.628906 MB of memory in use. ENERGY: 1807000 757.5852 2132.0770 1928.4175 110.0018 -206136.8517 17509.7354 0.0000 0.0000 34406.6649 -149292.3699 300.4820 -183699.0348 -149192.9163 299.4408 -129.7497 -93.1586 557504.0615 -21.0460 -20.9862 PRESSURE: 1807200 -31.0964 -13.103 -192.319 -13.1034 166.324 80.7778 -192.321 80.7774 137.648 GPRESSURE: 1807200 -68.6342 -109.482 -198.038 19.2457 245.501 26.0473 -99.7343 93.3037 198.508 PRESSAVG: 1807200 -47.4673 28.1097 16.4559 28.1098 31.9488 -25.7239 16.456 -25.7239 28.0422 GPRESSAVG: 1807200 -47.8123 30.483 15.1063 27.6547 32.6507 -27.7682 18.5774 -23.8349 27.9911 TIMING: 1807200 CPU: 5449.79, 0.00298072/step Wall: 5449.79, 0.00298072/step, 2.64357 hours remaining, 209.628906 MB of memory in use. ENERGY: 1807200 715.8446 2107.2466 1932.2798 107.6086 -206612.5749 17977.2152 0.0000 0.0000 34329.9745 -149442.4057 299.8122 -183772.3802 -149339.6336 298.8627 90.9584 125.1248 557454.1397 4.1746 4.2765 PRESSURE: 1807400 18.5219 7.81604 81.2451 7.81621 -0.142084 42.7417 81.2459 42.7426 -129.764 GPRESSURE: 1807400 67.4889 121.269 93.0116 -58.7081 82.9783 7.65303 108.748 18.1846 -168.202 PRESSAVG: 1807400 -26.2988 1.24377 -20.7625 1.2437 54.9878 -67.4893 -20.7624 -67.4893 -25.893 GPRESSAVG: 1807400 -26.1262 -2.39058 -18.8954 1.04628 53.5369 -65.5142 -22.7039 -68.4656 -24.6038 TIMING: 1807400 CPU: 5450.39, 0.00300267/step Wall: 5450.39, 0.00300267/step, 2.66287 hours remaining, 209.628906 MB of memory in use. ENERGY: 1807400 767.5703 2079.9362 1921.4820 106.0106 -206316.3131 17751.6519 0.0000 0.0000 34269.6446 -149420.0175 299.2853 -183689.6621 -149319.8285 298.1991 -37.1279 -5.9115 557289.7646 0.9320 0.9356 PRESSURE: 1807600 134.201 -32.2026 115.617 -32.2027 89.248 -70.0845 115.617 -70.0865 50.0057 GPRESSURE: 1807600 129.551 -42.7851 35.3068 11.9951 114.695 -63.4795 115.972 -70.0593 133.399 PRESSAVG: 1807600 -39.1694 -24.8047 14.0637 -24.8047 83.7551 -11.8475 14.0636 -11.8476 -35.7625 GPRESSAVG: 1807600 -40.4076 -25.1262 13.3846 -24.0971 84.8688 -9.70002 14.2227 -12.171 -35.7224 TIMING: 1807600 CPU: 5450.99, 0.00300761/step Wall: 5450.99, 0.00300761/step, 2.66709 hours remaining, 209.628906 MB of memory in use. ENERGY: 1807600 699.5866 2045.6155 1960.2125 118.3713 -206786.4931 18058.7138 0.0000 0.0000 34233.5098 -149670.4836 298.9698 -183903.9934 -149573.9738 297.6741 91.1517 125.8818 555669.2048 2.9411 2.9129 PRESSURE: 1807800 -228.73 -23.8781 169.141 -23.8786 -118.537 -141.206 169.14 -141.206 -291.865 GPRESSURE: 1807800 -249.117 -3.37299 183.008 106.043 -47.2302 -30.6149 153.508 -106.984 -255.526 PRESSAVG: 1807800 10.8148 -21.5499 41.5939 -21.5499 -3.29255 8.85084 41.5938 8.85091 -41.2811 GPRESSAVG: 1807800 11.167 -19.3855 39.99 -22.6973 -3.14651 8.14933 42.7918 8.19131 -41.968 TIMING: 1807800 CPU: 5451.6, 0.00303209/step Wall: 5451.6, 0.00303209/step, 2.68863 hours remaining, 209.628906 MB of memory in use. ENERGY: 1807800 770.2980 2116.4072 1900.0079 124.8466 -205830.7451 17560.3578 0.0000 0.0000 33800.6201 -149558.2075 295.1892 -183358.8277 -149465.6431 297.4039 -213.0441 -183.9580 558116.1581 -11.2529 -11.3158 PRESSURE: 1808000 34.3816 33.0613 45.6462 33.0602 118.974 65.9892 45.6462 65.9878 -191.325 GPRESSURE: 1808000 -13.2359 0.635785 112.718 32.819 169.085 120.982 30.9132 -14.374 -107.429 PRESSAVG: 1808000 100.841 38.3136 76.6499 38.3136 -3.62022 -55.151 76.6498 -55.151 -61.3228 GPRESSAVG: 1808000 100.706 39.0785 79.3414 37.9533 -4.99022 -56.2065 76.4456 -53.407 -60.2564 TIMING: 1808000 CPU: 5452.2, 0.00302129/step Wall: 5452.2, 0.00302129/step, 2.67887 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: 1808000 756.9148 2167.2804 1913.6086 111.3264 -206430.5610 17933.7236 0.0000 0.0000 34156.6205 -149391.0868 298.2983 -183547.7073 -149292.8779 298.5510 -12.6566 16.1400 556873.1923 11.9661 11.8199 PRESSURE: 1808200 -62.0795 -53.7853 32.6101 -53.7858 -379.679 47.6939 32.6114 47.6932 -230.944 GPRESSURE: 1808200 -27.4529 -93.8765 58.4079 26.9047 -301.592 47.7292 32.5425 41.8411 -251.028 PRESSAVG: 1808200 29.0004 -37.12 5.00016 -37.1201 5.78544 -7.23024 5.00018 -7.23032 -43.1699 GPRESSAVG: 1808200 28.6474 -35.2522 3.72347 -38.9836 7.38809 -7.33874 6.43953 -5.93596 -44.179 TIMING: 1808200 CPU: 5452.81, 0.00301742/step Wall: 5452.81, 0.00301742/step, 2.67528 hours remaining, 209.628906 MB of memory in use. ENERGY: 1808200 778.2764 2113.8774 1962.7139 111.3853 -205992.9764 17557.2359 0.0000 0.0000 34219.7171 -149249.7704 298.8493 -183469.4874 -149149.5920 299.4270 -224.2339 -193.3576 558042.4417 -2.7947 -2.7145 LDB: ============= START OF LOAD BALANCING ============== 5456.33 LDB: ============== END OF LOAD BALANCING =============== 5456.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5456.33 LDB: ============= START OF LOAD BALANCING ============== 5456.63 LDB: Largest compute 4800 load 0.031853 is 27.0% of average load 0.118020 LDB: Average compute 0.001728 is 1.5% of average load 0.118020 LDB: TIME 5456.63 LOAD: AVG 0.11802 MAX 0.214417 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.527 MB LDB: TIME 5456.63 LOAD: AVG 0.11802 MAX 0.214417 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.73 MB LDB: TIME 5456.63 LOAD: AVG 0.11802 MAX 0.214417 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.73 MB LDB: ============== END OF LOAD BALANCING =============== 5456.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5456.64 PRESSURE: 1808400 -62.8291 -31.5078 -47.713 -31.5066 -4.07404 -105.652 -47.7141 -105.653 -4.08554 GPRESSURE: 1808400 -2.8605 -18.8398 -92.5047 -30.2902 17.5826 -109.048 28.4707 -166.957 17.2115 PRESSAVG: 1808400 -4.38172 1.333 -40.9043 1.33309 -20.1989 -11.5118 -40.9043 -11.5118 16.0981 GPRESSAVG: 1808400 -4.52088 -1.02414 -41.975 5.41342 -20.9308 -12.2413 -42.337 -12.5142 17.2529 TIMING: 1808400 CPU: 5453.42, 0.00308469/step Wall: 5453.42, 0.00308469/step, 2.73475 hours remaining, 208.140625 MB of memory in use. ENERGY: 1808400 722.5849 2139.3511 1945.9094 101.9600 -206207.7943 17716.6124 0.0000 0.0000 34257.1504 -149324.2261 299.1762 -183581.3765 -149223.2694 299.5895 -23.6629 10.6445 557483.8152 -2.8275 -2.7329 PRESSURE: 1808600 -225.01 -115.578 48.2278 -115.579 142.846 41.0175 48.2272 41.0157 -64.7054 GPRESSURE: 1808600 -180.019 -136.22 67.445 -109.217 147.964 -40.2309 11.4292 125.868 -16.7957 PRESSAVG: 1808600 15.0866 2.6683 -60.4367 2.66826 13.5388 -10.6504 -60.4366 -10.6502 -16.3314 GPRESSAVG: 1808600 15.7568 3.19476 -58.5545 -0.528625 12.2798 -11.6144 -60.3792 -10.3486 -15.8448 TIMING: 1808600 CPU: 5454.03, 0.00301999/step Wall: 5454.03, 0.00301999/step, 2.67722 hours remaining, 208.140625 MB of memory in use. ENERGY: 1808600 713.2772 2131.8536 1933.1355 127.2054 -206331.7946 17708.4903 0.0000 0.0000 34294.1303 -149423.7024 299.4992 -183717.8327 -149326.3001 299.1661 -48.9564 -16.2836 556078.6791 4.0980 4.0639 PRESSURE: 1808800 198.299 -48.0933 -78.4236 -48.0927 -129.239 146.257 -78.4237 146.256 -26.7027 GPRESSURE: 1808800 191.089 -96.7032 20.6588 -15.0123 -87.7571 79.1184 -57.276 164.766 49.2809 PRESSAVG: 1808800 21.2806 27.769 23.2879 27.7691 11.8724 1.02589 23.2878 1.02598 -9.54524 GPRESSAVG: 1808800 21.2897 26.7858 22.2828 29.5751 13.0725 1.73155 22.4653 0.874148 -10.9344 TIMING: 1808800 CPU: 5454.63, 0.00300707/step Wall: 5454.63, 0.00300707/step, 2.6656 hours remaining, 208.140625 MB of memory in use. ENERGY: 1808800 785.1609 2099.7741 1921.9040 117.1184 -206466.5728 17954.9883 0.0000 0.0000 34280.7385 -149306.8887 299.3822 -183587.6271 -149221.1584 299.8563 14.1190 50.8709 558016.3264 7.8693 7.8093 PRESSURE: 1809000 135.458 8.11569 -48.862 8.11472 84.3854 27.2072 -48.8629 27.2067 -32.8416 GPRESSURE: 1809000 178.433 81.6895 16.0918 19.2595 88.4637 -10.0116 -145.804 66.3355 17.8135 PRESSAVG: 1809000 62.7089 -25.331 2.18756 -25.331 -40.5452 14.0613 2.1876 14.0613 16.9445 GPRESSAVG: 1809000 62.5276 -25.133 0.356916 -24.3287 -40.7976 15.1852 2.61244 12.9222 17.5865 TIMING: 1809000 CPU: 5455.23, 0.00300399/step Wall: 5455.23, 0.00300399/step, 2.6627 hours remaining, 208.140625 MB of memory in use. ENERGY: 1809000 728.6640 2141.7069 1906.1607 118.0690 -206428.1553 17859.7861 0.0000 0.0000 34383.1186 -149290.6501 300.2763 -183673.7687 -149190.1532 299.5720 62.3338 94.9034 557066.2829 13.0361 13.1055 PRESSURE: 1809200 -11.0986 -80.6193 147.112 -80.6187 -211.56 -88.1989 147.112 -88.1999 134.757 GPRESSURE: 1809200 -10.8493 -108.391 114.368 -98.5333 -193.11 -79.4094 140.618 -22.1882 202.115 PRESSAVG: 1809200 56.613 -12.7183 -14.0123 -12.7183 -41.9381 -18.7724 -14.0124 -18.7726 33.1407 GPRESSAVG: 1809200 55.5238 -9.28416 -10.6179 -15.1882 -41.6947 -17.6701 -14.153 -19.3992 33.9549 TIMING: 1809200 CPU: 5455.83, 0.00299563/step Wall: 5455.83, 0.00299563/step, 2.65513 hours remaining, 208.140625 MB of memory in use. ENERGY: 1809200 724.0910 2125.6688 1953.5592 111.3226 -206186.1993 17863.4708 0.0000 0.0000 34178.8715 -149229.2154 298.4926 -183408.0870 -149133.7153 299.7916 -29.3005 -0.6145 557653.8959 15.9386 15.9280 PRESSURE: 1809400 -50.7065 -54.1517 22.9785 -54.1529 131.031 -31.3642 22.9796 -31.3666 122.911 GPRESSURE: 1809400 3.20475 -60.7171 -23.8832 -37.2735 120.541 -37.6475 12.5987 -6.92341 181.419 PRESSAVG: 1809400 -67.2824 -3.436 -23.6298 -3.43602 -12.2382 23.9515 -23.6299 23.9515 100.587 GPRESSAVG: 1809400 -67.4586 -4.15457 -25.4537 -2.67355 -11.664 23.8321 -23.7766 25.1772 100.317 TIMING: 1809400 CPU: 5456.43, 0.00300238/step Wall: 5456.43, 0.00300238/step, 2.66094 hours remaining, 208.140625 MB of memory in use. ENERGY: 1809400 752.8215 2124.2093 1936.2724 112.3907 -206624.3161 18143.0286 0.0000 0.0000 34212.7289 -149342.8647 298.7883 -183555.5936 -149249.6868 299.0584 67.7450 101.7216 557170.8227 7.0223 7.0648 PRESSURE: 1809600 18.6487 -161.342 -17.0295 -161.342 -194.45 117.042 -17.0288 117.044 -82.5694 GPRESSURE: 1809600 60.051 -61.228 82.2708 -197.769 -137.464 125.52 -51.0503 103.308 -81.0217 PRESSAVG: 1809600 -25.4457 13.5218 -28.8346 13.5217 25.0333 6.18813 -28.8346 6.18808 21.3698 GPRESSAVG: 1809600 -25.0485 10.5934 -26.3756 14.3255 25.4418 5.60933 -29.906 5.24307 20.7151 TIMING: 1809600 CPU: 5457.03, 0.00298333/step Wall: 5457.03, 0.00298333/step, 2.6439 hours remaining, 208.140625 MB of memory in use. ENERGY: 1809600 746.8163 2122.0723 1929.6265 115.3290 -205999.5823 17639.6946 0.0000 0.0000 34251.7081 -149194.3355 299.1287 -183446.0436 -149086.2328 299.4371 -86.1237 -52.8115 559634.6828 6.9858 7.0362 PRESSURE: 1809800 -112.354 -98.9223 -71.1487 -98.9235 -10.2219 -83.9617 -71.1483 -83.962 -336.428 GPRESSURE: 1809800 -121.263 -48.2727 -33.6582 -139.282 34.7022 -53.1424 -71.3667 -90.8525 -276.429 PRESSAVG: 1809800 -31.2253 -8.96909 36.8159 -8.96909 7.95922 31.9924 36.816 31.9923 6.52538 GPRESSAVG: 1809800 -30.5539 -6.97157 34.0906 -10.7784 7.00656 30.2988 38.807 32.7299 6.90549 TIMING: 1809800 CPU: 5457.63, 0.00301799/step Wall: 5457.63, 0.00301799/step, 2.67444 hours remaining, 208.140625 MB of memory in use. ENERGY: 1809800 758.6024 2164.8011 1927.0641 117.7769 -206006.5769 17674.5992 0.0000 0.0000 34222.5713 -149141.1618 298.8742 -183363.7331 -149047.3161 299.2614 -153.0012 -120.9965 559122.4511 -5.5802 -5.5473 PRESSURE: 1810000 -472.475 -36.8196 5.72254 -36.82 24.7665 36.0557 5.72167 36.0559 -79.9016 GPRESSURE: 1810000 -381.596 -53.5952 127.39 -81.3442 7.16741 63.9444 -30.8138 38.3223 -55.6031 PRESSAVG: 1810000 -13.1146 4.01394 3.69248 4.01383 -25.8553 2.77057 3.6926 2.77049 -11.0075 GPRESSAVG: 1810000 -11.764 3.39901 5.42117 5.50172 -26.3263 3.55987 2.73653 1.89114 -11.442 TIMING: 1810000 CPU: 5458.23, 0.00301319/step Wall: 5458.23, 0.00301319/step, 2.67002 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: 1810000 791.0915 2149.6371 1909.3232 104.6097 -205936.0325 17685.8440 0.0000 0.0000 34137.4614 -149158.0657 298.1309 -183295.5271 -149070.1509 299.8506 -175.8700 -143.3439 559448.9412 -16.6591 -16.5107 PRESSURE: 1810200 40.5627 -100.286 60.7636 -100.287 -78.355 -104.525 60.7643 -104.525 -32.0495 GPRESSURE: 1810200 6.25026 -99.912 25.3576 -123.185 -23.5713 -26.2773 66.9651 -69.9463 44.1114 PRESSAVG: 1810200 26.6787 -19.5667 40.828 -19.5667 -19.0148 -5.65753 40.8281 -5.65754 10.8263 GPRESSAVG: 1810200 25.0814 -19.0346 37.8443 -20.3545 -18.9062 -3.65733 40.0481 -5.58268 12.2656 TIMING: 1810200 CPU: 5458.83, 0.00298907/step Wall: 5458.83, 0.00298907/step, 2.64848 hours remaining, 208.140625 MB of memory in use. ENERGY: 1810200 736.6614 2178.2773 1945.1107 123.8100 -206386.8043 17775.0861 0.0000 0.0000 34426.2170 -149201.6417 300.6527 -183627.8588 -149097.9475 299.6263 -23.2806 8.9301 557598.0005 6.1634 6.1469 PRESSURE: 1810400 -144.758 22.5858 -103.152 22.5848 36.4615 -76.4208 -103.152 -76.4198 -431.84 GPRESSURE: 1810400 -29.6497 -19.518 -32.2657 12.613 22.5813 -11.4147 -151.05 -95.4002 -433.986 PRESSAVG: 1810400 61.3203 -5.10678 54.0193 -5.10675 -29.6524 -33.1919 54.0193 -33.1919 24.1646 GPRESSAVG: 1810400 61.0987 -6.10754 56.407 -3.71042 -29.0409 -33.5276 54.59 -33.9875 23.6652 TIMING: 1810400 CPU: 5459.43, 0.00301252/step Wall: 5459.43, 0.00301252/step, 2.66909 hours remaining, 208.140625 MB of memory in use. ENERGY: 1810400 763.3262 2103.3583 1929.3085 118.5908 -205753.9596 17456.2620 0.0000 0.0000 34174.7769 -149208.3367 298.4568 -183383.1136 -149103.8107 299.1216 -180.0454 -147.0183 557846.9547 18.6108 18.5744 PRESSURE: 1810600 -52.7343 119.267 95.929 119.268 -0.639034 -77.9688 95.9298 -77.9693 34.9026 GPRESSURE: 1810600 9.48241 88.9857 24.5115 21.3057 -34.7787 -58.6595 114.297 -119.126 99.0663 PRESSAVG: 1810600 -4.36913 53.2614 -22.4932 53.2615 2.43894 -14.9471 -22.4932 -14.9471 -24.9885 GPRESSAVG: 1810600 -4.16755 53.3591 -24.9132 51.0834 2.63435 -17.1556 -19.9746 -14.765 -24.9993 TIMING: 1810600 CPU: 5460.04, 0.00301092/step Wall: 5460.04, 0.00301092/step, 2.66751 hours remaining, 208.140625 MB of memory in use. ENERGY: 1810600 748.8214 2059.4131 1931.7102 102.9841 -206429.1222 17913.2575 0.0000 0.0000 34244.4608 -149428.4750 299.0654 -183672.9359 -149330.5757 299.4604 -6.1569 24.5900 557913.6598 -8.9729 -8.8442 PRESSURE: 1810800 -315.195 49.5399 -118.179 49.5402 -83.4026 -33.2993 -118.178 -33.2995 97.4099 GPRESSURE: 1810800 -284.174 43.0524 -146.77 22.1118 -7.82694 -122.644 -111.046 -42.0737 78.5278 PRESSAVG: 1810800 6.34088 37.7832 -21.6413 37.7831 2.01945 -22.7564 -21.6413 -22.7562 -28.0425 GPRESSAVG: 1810800 7.33296 38.4652 -20.0341 39.8489 2.15132 -19.9429 -22.8056 -24.5676 -28.3379 TIMING: 1810800 CPU: 5460.64, 0.00300867/step Wall: 5460.64, 0.00300867/step, 2.66534 hours remaining, 208.140625 MB of memory in use. ENERGY: 1810800 766.9048 2069.8269 1950.0275 109.2967 -206232.2926 17638.0718 0.0000 0.0000 34198.3901 -149499.7746 298.6630 -183698.1648 -149405.8643 298.0886 -100.3959 -71.1578 558177.7916 -6.5607 -6.2845 PRESSURE: 1811000 -41.1207 -84.9561 -119.465 -84.9562 -46.5603 99.9597 -119.465 99.9598 23.5106 GPRESSURE: 1811000 -99.7793 -78.4493 -202.506 -122.504 36.6233 43.7877 -121.568 89.933 99.0258 PRESSAVG: 1811000 -52.052 -6.91246 -32.0479 -6.9124 38.8426 -63.3542 -32.0479 -63.3543 14.4465 GPRESSAVG: 1811000 -52.3482 -6.63854 -30.7733 -8.90962 37.9342 -64.9233 -34.5903 -62.6265 15.2548 TIMING: 1811000 CPU: 5461.24, 0.00303986/step Wall: 5461.24, 0.00303986/step, 2.69281 hours remaining, 208.140625 MB of memory in use. ENERGY: 1811000 734.7455 2163.9709 1951.9219 110.0510 -206327.4082 17810.7249 0.0000 0.0000 34073.6952 -149482.2988 297.5741 -183555.9940 -149384.0549 299.0381 -21.3901 11.9566 557200.5296 0.4124 0.2803 PRESSURE: 1811200 121.175 -7.46141 -109.457 -7.46122 -117.188 -46.3849 -109.458 -46.3851 -216.391 GPRESSURE: 1811200 101.693 -4.4172 -120.248 -59.693 -11.7869 -106.89 -159.692 -42.2907 -204.566 PRESSAVG: 1811200 -57.084 -45.8302 33.6931 -45.8302 19.7346 -79.1217 33.6931 -79.1217 41.0136 GPRESSAVG: 1811200 -57.3515 -46.0604 32.3745 -45.4372 19.1172 -80.0197 35.1946 -78.5514 41.6534 TIMING: 1811200 CPU: 5461.85, 0.0030442/step Wall: 5461.85, 0.0030442/step, 2.69649 hours remaining, 208.343750 MB of memory in use. ENERGY: 1811200 747.8355 2056.3203 1927.6658 109.9165 -206278.8044 17726.2864 0.0000 0.0000 34306.3322 -149404.4478 299.6057 -183710.7800 -149292.5383 298.7912 -70.8014 -38.2202 556893.5766 1.2214 1.1397 PRESSURE: 1811400 47.2466 4.18237 -83.894 4.18299 -38.719 139.136 -83.8925 139.137 -219.707 GPRESSURE: 1811400 92.3592 129.177 -77.6102 -73.5237 -58.4127 151.469 -103.317 125.027 -152.183 PRESSAVG: 1811400 18.3776 -18.5658 -21.3045 -18.5658 -3.59283 -99.3717 -21.3045 -99.3718 -39.4262 GPRESSAVG: 1811400 18.968 -18.9914 -22.964 -17.5948 -3.79412 -98.5277 -20.8923 -99.916 -39.66 TIMING: 1811400 CPU: 5462.46, 0.00304025/step Wall: 5462.46, 0.00304025/step, 2.69282 hours remaining, 208.343750 MB of memory in use. ENERGY: 1811400 737.3202 2148.0047 1921.4720 97.5784 -206079.3225 17558.7479 0.0000 0.0000 34117.8715 -149498.3277 297.9599 -183616.1992 -149404.5723 299.1856 -70.3933 -39.4123 556340.1441 -8.2138 -8.1620 PRESSURE: 1811600 65.2328 -32.7135 -71.2518 -32.7124 -233.563 -38.0072 -71.2523 -38.0082 -103.111 GPRESSURE: 1811600 131.386 -78.4364 -47.743 63.0777 -210.991 -25.051 -41.0074 39.82 -91.6808 PRESSAVG: 1811600 32.4874 31.4406 -83.8251 31.4406 18.1463 13.9255 -83.825 13.9257 -7.1992 GPRESSAVG: 1811600 31.7426 31.8965 -81.3011 31.4191 19.1779 13.8626 -84.9478 15.5368 -7.72882 TIMING: 1811600 CPU: 5463.07, 0.0030351/step Wall: 5463.07, 0.0030351/step, 2.68809 hours remaining, 208.343750 MB of memory in use. ENERGY: 1811600 776.6751 2042.0422 1929.4098 98.5634 -206477.6474 17852.7850 0.0000 0.0000 34052.1455 -149726.0265 297.3859 -183778.1719 -149618.3997 298.3963 -90.4802 -57.0954 557069.0833 14.4782 14.3972 PRESSURE: 1811800 -82.8523 8.1141 -114.026 8.11419 111.798 -87.9562 -114.027 -87.957 53.8731 GPRESSURE: 1811800 -25.0176 -26.7097 -113.008 25.2637 126.108 -92.3103 -2.18944 -152.884 92.9942 PRESSAVG: 1811800 -35.1117 58.995 -32.7944 58.9949 44.941 -30.3613 -32.7943 -30.3612 -43.9826 GPRESSAVG: 1811800 -34.9873 58.4977 -31.4896 58.8437 43.124 -29.9373 -34.081 -32.067 -42.3553 TIMING: 1811800 CPU: 5463.67, 0.00300724/step Wall: 5463.67, 0.00300724/step, 2.66325 hours remaining, 208.343750 MB of memory in use. ENERGY: 1811800 737.4663 2080.3219 1944.5081 109.9547 -206720.1765 18059.9496 0.0000 0.0000 34169.8542 -149618.1217 298.4138 -183787.9759 -149521.7263 297.8974 27.6062 64.6948 557609.6628 -11.3845 -11.4062 PRESSURE: 1812000 -203.52 77.6842 -16.5415 77.6847 -213.046 48.4477 -16.5427 48.4485 70.0254 GPRESSURE: 1812000 -216.858 -8.2277 -80.1542 51.5031 -151.953 -31.0756 50.4903 -37.3713 119.899 PRESSAVG: 1812000 -27.7778 -32.1617 -48.0128 -32.1616 23.1848 4.70573 -48.0128 4.70583 22.5491 GPRESSAVG: 1812000 -27.8923 -32.1334 -49.0232 -29.6993 24.3131 3.38354 -46.3649 5.87122 20.5817 TIMING: 1812000 CPU: 5464.27, 0.00301201/step Wall: 5464.27, 0.00301201/step, 2.66731 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: 1812000 759.8736 2081.8737 1937.0899 110.7654 -206290.8148 17685.1247 0.0000 0.0000 34212.1294 -149503.9582 298.7830 -183716.0875 -149406.0076 298.8533 -115.5136 -82.9706 558830.2282 5.9854 5.6675 PRESSURE: 1812200 56.7285 135.501 -88.085 135.503 -325.675 70.3831 -88.0865 70.3839 -176.776 GPRESSURE: 1812200 96.3762 158.541 -69.1031 144.303 -313.953 91.0113 -140.524 75.0712 -136.149 PRESSAVG: 1812200 14.4788 13.7737 -6.33084 13.7738 -12.9184 -43.4092 -6.33082 -43.4092 -23.2224 GPRESSAVG: 1812200 13.4256 12.7973 -6.75268 12.0714 -11.8703 -43.1018 -7.47293 -42.335 -23.3559 TIMING: 1812200 CPU: 5464.87, 0.00299889/step Wall: 5464.87, 0.00299889/step, 2.65552 hours remaining, 208.343750 MB of memory in use. ENERGY: 1812200 717.0811 2072.0568 1913.6615 115.3386 -206166.8669 17781.4587 0.0000 0.0000 34159.5921 -149407.6781 298.3242 -183567.2702 -149316.0387 298.4692 -148.5742 -117.9084 558464.0967 -7.2207 -7.2668 LDB: ============= START OF LOAD BALANCING ============== 5468.39 LDB: ============== END OF LOAD BALANCING =============== 5468.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5468.39 LDB: ============= START OF LOAD BALANCING ============== 5468.69 LDB: Largest compute 4800 load 0.032518 is 27.6% of average load 0.117970 LDB: Average compute 0.001726 is 1.5% of average load 0.117970 LDB: TIME 5468.69 LOAD: AVG 0.11797 MAX 0.206931 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.07 MB LDB: TIME 5468.69 LOAD: AVG 0.11797 MAX 0.206931 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.273 MB LDB: TIME 5468.69 LOAD: AVG 0.11797 MAX 0.206931 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.273 MB LDB: ============== END OF LOAD BALANCING =============== 5468.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5468.7 PRESSURE: 1812400 -44.9903 -44.6796 11.812 -44.6797 -170.397 -96.4038 11.812 -96.4033 -518.912 GPRESSURE: 1812400 -4.11951 -56.6556 34.2601 -84.8899 -121.214 -111.801 -57.7976 -83.5744 -507.717 PRESSAVG: 1812400 14.6196 23.2155 -18.955 23.2155 72.8465 12.8351 -18.9551 12.835 -46.0377 GPRESSAVG: 1812400 15.0475 24.5367 -17.6924 21.7827 72.5339 14.4952 -19.3738 12.4039 -46.5221 TIMING: 1812400 CPU: 5465.48, 0.0030356/step Wall: 5465.48, 0.0030356/step, 2.68786 hours remaining, 209.808594 MB of memory in use. ENERGY: 1812400 736.1408 2064.1252 1961.9302 113.4832 -206111.7110 17542.2806 0.0000 0.0000 34137.8745 -149555.8765 298.1345 -183693.7509 -149462.1194 298.3936 -244.7664 -211.0168 556861.7285 13.8095 13.6864 PRESSURE: 1812600 156.302 42.6247 22.6842 42.624 123.208 25.4665 22.6849 25.4657 94.0246 GPRESSURE: 1812600 218.661 13.402 58.9925 -51.3443 142.884 66.1747 -44.0626 78.7519 124.116 PRESSAVG: 1812600 62.7372 7.29878 -3.89891 7.29876 -22.1564 28.048 -3.8989 28.0481 -5.69596 GPRESSAVG: 1812600 62.4353 7.11479 -4.43241 7.52022 -23.6647 26.4793 -3.22155 27.8187 -3.82638 TIMING: 1812600 CPU: 5466.08, 0.00300241/step Wall: 5466.08, 0.00300241/step, 2.6583 hours remaining, 210.269531 MB of memory in use. ENERGY: 1812600 727.5759 2100.8879 1919.5516 109.9249 -206213.7601 17792.0167 0.0000 0.0000 34148.9936 -149414.8095 298.2317 -183563.8030 -149319.8686 298.9666 124.5113 161.8872 555657.2157 11.6283 11.6481 PRESSURE: 1812800 150.351 19.4273 195.961 19.4286 122.982 106.13 195.962 106.13 -183.03 GPRESSURE: 1812800 197.018 91.9425 122.552 -60.9856 104.437 85.3083 221.942 82.2731 -112.193 PRESSAVG: 1812800 75.5836 -1.55702 -6.85122 -1.55702 54.8885 49.3213 -6.85118 49.3212 -109.727 GPRESSAVG: 1812800 76.9852 -0.533406 -7.37971 -0.737846 54.7616 48.8795 -5.86395 48.4968 -111.166 TIMING: 1812800 CPU: 5466.68, 0.00299076/step Wall: 5466.68, 0.00299076/step, 2.64782 hours remaining, 210.269531 MB of memory in use. ENERGY: 1812800 748.0088 2029.9657 1911.1947 107.3633 -206538.5225 17961.2859 0.0000 0.0000 34282.9024 -149497.8018 299.4011 -183780.7042 -149392.5104 299.1449 30.1011 63.0872 557396.6753 6.9149 6.8603 PRESSURE: 1813000 252.597 -58.406 109.176 -58.4051 133.115 65.4644 109.176 65.4636 172.988 GPRESSURE: 1813000 289.467 23.4564 109.796 -59.0025 173.096 4.84726 226.35 77.9498 208.668 PRESSAVG: 1813000 13.6147 22.5392 16.1837 22.5392 -4.7575 13.6943 16.1837 13.6945 18.4912 GPRESSAVG: 1813000 12.8166 21.8569 15.7044 21.7347 -3.83072 13.3585 15.4369 16.2107 18.4079 TIMING: 1813000 CPU: 5467.28, 0.00298613/step Wall: 5467.28, 0.00298613/step, 2.64355 hours remaining, 210.269531 MB of memory in use. ENERGY: 1813000 754.4284 2042.1923 1920.2563 108.2999 -206624.5740 18015.0753 0.0000 0.0000 34223.3172 -149561.0046 298.8807 -183784.3218 -149459.7207 298.6499 186.2335 223.7436 555679.7805 9.1162 9.1313 PRESSURE: 1813200 8.6224 84.2689 199.163 84.2694 -156.718 -157.294 199.164 -157.293 -232.475 GPRESSURE: 1813200 92.795 9.64905 136.718 177.518 -129.76 -194.794 272.329 -146.514 -239.013 PRESSAVG: 1813200 4.176 -8.38729 7.83147 -8.38723 -8.88006 28.9654 7.8314 28.9654 12.1866 GPRESSAVG: 1813200 4.1279 -9.05828 8.03122 -7.12726 -8.72949 30.1715 6.73877 26.8574 11.8649 TIMING: 1813200 CPU: 5467.88, 0.00302205/step Wall: 5467.88, 0.00302205/step, 2.67519 hours remaining, 210.269531 MB of memory in use. ENERGY: 1813200 737.8233 2082.0643 1945.6866 99.6872 -206045.1346 17594.3128 0.0000 0.0000 34073.3503 -149512.2101 297.5710 -183585.5604 -149416.9649 298.2586 -126.8570 -91.9926 557499.5737 2.4942 2.4211 PRESSURE: 1813400 -177.124 91.2708 -96.5823 91.2712 -3.90761 7.50507 -96.5817 7.5058 -213.498 GPRESSURE: 1813400 -183.354 111.759 -33.9497 94.1928 94.3506 63.1832 -165.617 -64.7812 -207.052 PRESSAVG: 1813400 28.0483 -34.8415 0.950211 -34.8415 55.8818 13.2479 0.950288 13.2479 -96.3817 GPRESSAVG: 1813400 27.2253 -36.7923 -0.611975 -35.9587 55.367 13.1148 2.2499 13.1026 -95.6291 TIMING: 1813400 CPU: 5468.49, 0.00303132/step Wall: 5468.49, 0.00303132/step, 2.68322 hours remaining, 210.531250 MB of memory in use. ENERGY: 1813400 760.7007 2020.7320 1914.3360 116.3986 -206147.0771 17583.4446 0.0000 0.0000 34147.5945 -149603.8708 298.2194 -183751.4653 -149513.2426 298.0293 -131.5098 -98.6853 556072.4414 -4.1505 -4.3456 PRESSURE: 1813600 -54.835 -36.8766 -11.5652 -36.8766 63.7523 75.9967 -11.5625 75.9975 -344.99 GPRESSURE: 1813600 10.6481 24.9649 9.01042 -77.8046 103.824 119.57 11.7543 50.8298 -358.514 PRESSAVG: 1813600 0.460105 -50.5195 23.4193 -50.5194 27.1243 57.2018 23.4194 57.2017 -18.5787 GPRESSAVG: 1813600 -0.379808 -49.5687 25.656 -50.6527 28.1023 57.7234 22.7368 57.6301 -18.4526 TIMING: 1813600 CPU: 5469.09, 0.00302532/step Wall: 5469.09, 0.00302532/step, 2.67775 hours remaining, 210.531250 MB of memory in use. ENERGY: 1813600 748.2152 2045.9575 1929.1827 102.0438 -206062.5927 17610.6809 0.0000 0.0000 34215.7095 -149410.8030 298.8143 -183626.5125 -149313.3479 299.3018 -112.0241 -81.3471 556901.5659 3.0019 3.0899 PRESSURE: 1813800 158.992 -51.0328 101.2 -51.0334 -60.6055 -11.6078 101.2 -11.6072 38.9252 GPRESSURE: 1813800 193.933 -62.5358 46.0752 -159.04 -1.11835 32.8798 125.126 -60.496 49.3974 PRESSAVG: 1813800 65.7783 -18.6168 75.9465 -18.6168 -19.7044 -5.57555 75.9465 -5.57548 -54.4823 GPRESSAVG: 1813800 67.299 -18.138 73.2461 -19.2973 -21.2988 -7.75265 78.9111 -4.06572 -53.8863 TIMING: 1813800 CPU: 5469.7, 0.00302602/step Wall: 5469.7, 0.00302602/step, 2.67819 hours remaining, 210.531250 MB of memory in use. ENERGY: 1813800 710.9942 2164.4892 1912.1598 111.2410 -206341.8837 17840.4904 0.0000 0.0000 34079.2502 -149523.2589 297.6226 -183602.5091 -149444.0793 298.2141 45.7706 80.7375 556120.6777 -2.8028 -2.6287 PRESSURE: 1814000 110.185 146.701 -67.0435 146.702 -34.1629 57.7957 -67.0442 57.7954 -68.4105 GPRESSURE: 1814000 188.379 102.899 -95.9195 141.149 -48.6787 25.7371 9.25608 21.5202 -44.0186 PRESSAVG: 1814000 75.9402 -5.74911 12.0782 -5.7491 -23.1365 29.5634 12.0781 29.5634 -10.6931 GPRESSAVG: 1814000 76.231 -8.49926 15.5259 -2.29934 -21.6245 29.3886 9.20259 27.9879 -12.4771 TIMING: 1814000 CPU: 5470.3, 0.00301239/step Wall: 5470.3, 0.00301239/step, 2.66596 hours remaining, 210.531250 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: 1814000 767.8046 2048.1917 1916.5208 116.0398 -206411.6521 17822.5981 0.0000 0.0000 34223.2194 -149517.2777 298.8799 -183740.4971 -149421.2422 297.8921 2.5372 31.8940 556991.2869 14.0369 14.0431 PRESSURE: 1814200 106.365 81.0062 203.22 81.006 -26.8563 169.87 203.222 169.87 -228.276 GPRESSURE: 1814200 71.8525 72.5805 152.323 122.282 11.7855 175.88 171.102 187.424 -143.958 PRESSAVG: 1814200 10.7419 20.3634 17.0497 20.3633 39.0687 0.508683 17.0497 0.508587 -79.4031 GPRESSAVG: 1814200 9.53924 23.0441 16.7737 17.5439 37.742 -1.14658 16.2479 1.42697 -77.073 TIMING: 1814200 CPU: 5470.9, 0.00300394/step Wall: 5470.9, 0.00300394/step, 2.65832 hours remaining, 210.531250 MB of memory in use. ENERGY: 1814200 755.9544 2090.3978 1929.7821 99.8088 -206235.0151 17804.8710 0.0000 0.0000 34182.1983 -149372.0027 298.5216 -183554.2010 -149283.3960 297.8821 -49.5890 -20.1067 558627.5748 -9.8642 -9.9306 PRESSURE: 1814400 76.7761 66.4279 -13.5508 66.4272 -68.5912 92.2035 -13.5506 92.2025 -173.577 GPRESSURE: 1814400 137.546 76.9332 -61.316 37.9164 -106.206 79.1003 40.1124 41.2877 -91.9831 PRESSAVG: 1814400 6.20291 3.23028 29.9676 3.23033 56.8823 8.85922 29.9676 8.85912 -35.1544 GPRESSAVG: 1814400 7.31097 3.24754 28.755 5.98128 57.9284 11.1902 30.9556 8.16767 -37.2827 TIMING: 1814400 CPU: 5471.5, 0.00300361/step Wall: 5471.5, 0.00300361/step, 2.65786 hours remaining, 210.531250 MB of memory in use. ENERGY: 1814400 769.7433 2048.6401 1899.8412 109.4814 -206169.5602 17941.4908 0.0000 0.0000 34153.0423 -149247.3212 298.2670 -183400.3636 -149150.9463 298.3452 -55.1305 -20.2144 557732.9922 9.3103 9.3189 PRESSURE: 1814600 -260.37 -41.0312 -116.242 -41.0312 117.848 -31.6762 -116.242 -31.6758 -66.6422 GPRESSURE: 1814600 -214.174 -110.582 -183.548 12.7344 126.652 -8.51329 -116.37 -105.893 -33.9961 PRESSAVG: 1814600 -30.8687 -2.46658 -24.3272 -2.4665 -23.0458 31.7003 -24.3271 31.7002 58.7895 GPRESSAVG: 1814600 -31.1411 -3.02486 -25.0612 -1.62045 -24.0715 30.1026 -22.9096 31.4445 60.29 TIMING: 1814600 CPU: 5472.1, 0.00299896/step Wall: 5472.1, 0.00299896/step, 2.65358 hours remaining, 210.531250 MB of memory in use. ENERGY: 1814600 724.0538 2109.5303 1946.4929 102.1167 -206180.1952 17688.7113 0.0000 0.0000 34362.1798 -149247.1104 300.0935 -183609.2902 -149145.4784 298.0608 -69.7216 -40.5061 557059.5208 1.6250 1.6925 PRESSURE: 1814800 -269.242 64.2546 172.631 64.2548 -113.101 5.31949 172.631 5.31939 29.1743 GPRESSURE: 1814800 -220.481 111.367 188.708 23.1974 -142.35 -61.6671 152.018 -68.9131 98.59 PRESSAVG: 1814800 -43.9441 38.3835 31.9865 38.3835 -41.3595 32.397 31.9865 32.3971 56.5762 GPRESSAVG: 1814800 -43.8239 38.2261 31.3899 35.028 -40.7718 32.3282 29.5222 31.3145 55.5498 TIMING: 1814800 CPU: 5472.7, 0.00302169/step Wall: 5472.7, 0.00302169/step, 2.67353 hours remaining, 210.531250 MB of memory in use. ENERGY: 1814800 738.2677 2074.0506 1934.5499 94.3448 -205928.4052 17460.3179 0.0000 0.0000 34255.7586 -149371.1157 299.1641 -183626.8743 -149275.1930 299.0715 -117.7231 -88.0801 556648.9218 -9.5758 -9.6820 PRESSURE: 1815000 -11.6634 -147.635 158.762 -147.635 -28.7037 -23.6469 158.763 -23.6459 -83.9973 GPRESSURE: 1815000 -41.5629 -110.036 143.122 -161.272 52.5258 50.4722 137.194 -3.45242 -29.9366 PRESSAVG: 1815000 -26.5574 -14.1461 66.0015 -14.146 -1.75018 62.6948 66.0015 62.6949 -4.29851 GPRESSAVG: 1815000 -27.745 -13.6608 67.7649 -11.5159 -1.19551 64.474 67.2925 62.8389 -3.37272 TIMING: 1815000 CPU: 5473.31, 0.003036/step Wall: 5473.31, 0.003036/step, 2.68602 hours remaining, 210.531250 MB of memory in use. ENERGY: 1815000 742.7415 2109.8991 1913.7774 108.2720 -205964.8765 17588.7935 0.0000 0.0000 34134.2876 -149367.1054 298.1032 -183501.3930 -149269.4876 299.0382 -41.4548 -6.3246 556519.8474 -10.8687 -10.7711 PRESSURE: 1815200 -117.746 -82.9227 -135.216 -82.9227 97.9273 -241.913 -135.217 -241.913 -225.165 GPRESSURE: 1815200 -101.914 -295.318 -139.26 -55.1244 174.905 -257.134 -185.237 -202.402 -213.877 PRESSAVG: 1815200 -51.4998 -43.642 69.1441 -43.642 48.2091 -1.23085 69.1441 -1.23086 5.27061 GPRESSAVG: 1815200 -52.2548 -46.4835 67.6416 -43.906 48.0872 -3.75075 69.5988 0.519019 5.69111 TIMING: 1815200 CPU: 5473.91, 0.00300548/step Wall: 5473.91, 0.00300548/step, 2.65885 hours remaining, 210.531250 MB of memory in use. ENERGY: 1815200 720.1738 2130.5534 1933.0993 114.7297 -205969.0447 17717.0486 0.0000 0.0000 34138.3361 -149215.1039 298.1386 -183353.4400 -149119.7541 299.4327 -81.6611 -46.9622 558870.4992 0.6600 0.5078 PRESSURE: 1815400 -75.1273 -52.2324 -100.289 -52.2322 -8.67833 -38.464 -100.288 -38.4653 -156.929 GPRESSURE: 1815400 -11.4785 -2.30902 -67.3921 26.3737 -35.8319 -15.9567 -65.8709 -88.6579 -97.8489 PRESSAVG: 1815400 -21.4725 0.142389 71.8856 0.142419 -22.5061 -26.4179 71.8855 -26.4179 41.5897 GPRESSAVG: 1815400 -20.532 3.01635 72.2826 0.131352 -22.4175 -22.513 71.4107 -31.0691 40.5871 TIMING: 1815400 CPU: 5474.51, 0.0029698/step Wall: 5474.51, 0.0029698/step, 2.62712 hours remaining, 210.531250 MB of memory in use. ENERGY: 1815400 749.0485 2100.3961 1908.5293 108.9645 -205945.5510 17589.6595 0.0000 0.0000 34387.1491 -149101.8040 300.3115 -183488.9530 -149004.6660 299.2795 -80.2448 -48.3865 557156.6056 -0.7963 -0.7875 PRESSURE: 1815600 -48.5679 -88.1127 -84.4733 -88.112 64.7564 -0.404484 -84.4739 -0.405244 -104.072 GPRESSURE: 1815600 -31.7633 -44.1468 -96.0073 -181.592 146.822 -89.4318 -41.0508 30.2079 -114.069 PRESSAVG: 1815600 14.6718 38.7921 -27.1537 38.7921 30.9623 -25.5922 -27.1537 -25.5922 -28.2751 GPRESSAVG: 1815600 14.8723 38.1901 -26.6433 37.8742 31.1501 -29.0576 -27.7179 -22.0962 -28.475 TIMING: 1815600 CPU: 5475.1, 0.00297137/step Wall: 5475.1, 0.00297137/step, 2.62834 hours remaining, 210.531250 MB of memory in use. ENERGY: 1815600 749.9203 2107.5431 1923.0283 111.9796 -206052.3391 17906.0104 0.0000 0.0000 34113.7472 -149140.1102 297.9238 -183253.8575 -149039.7466 300.2463 -29.2946 0.3298 557525.8820 5.7863 5.8491 PRESSURE: 1815800 121.34 -233.227 -20.0696 -233.227 -41.9365 -33.1202 -20.0701 -33.1201 71.0658 GPRESSURE: 1815800 169.145 -220.539 -31.9092 -266.397 15.8373 31.9584 -48.3551 -72.6729 65.1057 PRESSAVG: 1815800 -5.786 -22.1782 48.3041 -22.1782 0.614419 25.8942 48.3041 25.8942 8.0478 GPRESSAVG: 1815800 -6.29827 -20.9113 49.7293 -20.6682 0.869804 28.8273 48.4984 22.5578 8.62412 TIMING: 1815800 CPU: 5475.7, 0.00297584/step Wall: 5475.7, 0.00297584/step, 2.63213 hours remaining, 210.531250 MB of memory in use. ENERGY: 1815800 762.0293 2044.3801 1911.3183 121.7123 -206172.5030 18034.1055 0.0000 0.0000 34372.5557 -148926.4017 300.1841 -183298.9574 -148830.7260 300.2527 50.1563 83.3627 558750.3191 0.9587 1.0652 PRESSURE: 1816000 86.0012 -29.641 98.0504 -29.6404 16.6356 -49.0552 98.0511 -49.054 -34.679 GPRESSURE: 1816000 127.329 -33.5491 81.0567 8.26145 77.4609 -49.1636 178.237 9.58369 -38.7783 PRESSAVG: 1816000 30.8203 2.22426 14.1612 2.22435 -77.4639 22.0481 14.1613 22.0481 90.5772 GPRESSAVG: 1816000 31.5955 0.406951 10.4471 2.23979 -77.1669 18.9226 17.1004 24.3343 89.3322 TIMING: 1816000 CPU: 5476.29, 0.00298856/step Wall: 5476.29, 0.00298856/step, 2.64322 hours remaining, 210.531250 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: 1816000 733.6908 2089.5081 1914.1579 109.0000 -205837.9662 17739.7792 0.0000 0.0000 34327.7307 -148924.0993 299.7926 -183251.8301 -148833.1323 300.5172 22.6526 55.3371 559720.3321 14.6445 14.5870 PRESSURE: 1816200 112.606 199.539 -182.518 199.54 -110.064 -58.6604 -182.517 -58.6612 -226.2 GPRESSURE: 1816200 150.173 188.483 -178.088 257.623 -64.7036 -53.5493 -117.587 -9.969 -201.5 PRESSAVG: 1816200 47.5036 55.0948 29.9029 55.0948 -25.2065 26.8503 29.903 26.8503 -18.3937 GPRESSAVG: 1816200 47.8486 54.6957 30.8618 54.295 -26.5203 29.5496 28.2041 26.5031 -18.296 TIMING: 1816200 CPU: 5476.89, 0.00297921/step Wall: 5476.89, 0.00297921/step, 2.63478 hours remaining, 210.542969 MB of memory in use. ENERGY: 1816200 755.6696 2073.6669 1919.8211 106.0902 -205517.1592 17546.2928 0.0000 0.0000 34209.4576 -148906.1610 298.7597 -183115.6186 -148814.3876 300.2011 -74.5528 -38.6771 558463.3645 1.3012 1.0107 LDB: ============= START OF LOAD BALANCING ============== 5480.41 LDB: ============== END OF LOAD BALANCING =============== 5480.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5480.41 LDB: ============= START OF LOAD BALANCING ============== 5480.71 LDB: Largest compute 4800 load 0.030033 is 25.5% of average load 0.117946 LDB: Average compute 0.001731 is 1.5% of average load 0.117946 LDB: TIME 5480.71 LOAD: AVG 0.117946 MAX 0.207933 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.84 MB LDB: TIME 5480.72 LOAD: AVG 0.117946 MAX 0.207933 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.84 MB LDB: TIME 5480.72 LOAD: AVG 0.117946 MAX 0.207933 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.84 MB LDB: ============== END OF LOAD BALANCING =============== 5480.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5480.72 PRESSURE: 1816400 -114.249 49.4205 3.71483 49.4213 -51.9501 -116.954 3.71483 -116.954 -137.311 GPRESSURE: 1816400 -38.2525 52.7962 -74.8751 27.6759 -18.9899 -105.785 -60.5162 -134.149 -154.065 PRESSAVG: 1816400 -16.7299 63.7157 -47.0894 63.7157 -34.8507 -19.8943 -47.0893 -19.8942 25.3855 GPRESSAVG: 1816400 -17.1984 64.2643 -46.5724 64.1702 -34.3395 -21.67 -48.3632 -19.1856 25.8068 TIMING: 1816400 CPU: 5477.5, 0.00307573/step Wall: 5477.5, 0.00307573/step, 2.71997 hours remaining, 207.476562 MB of memory in use. ENERGY: 1816400 729.2463 2082.4848 1932.9768 119.5665 -205864.8209 17582.8861 0.0000 0.0000 34557.6274 -148860.0329 301.8004 -183417.6603 -148772.9630 300.3076 -101.1701 -70.4360 558268.1135 -8.7317 -8.5770 PRESSURE: 1816600 -168.277 106.828 -104.27 106.829 -149.701 -43.9628 -104.271 -43.964 -329.611 GPRESSURE: 1816600 -127.601 103.049 -96.4946 99.3289 -141.119 -76.2671 -41.4842 -76.8736 -276.029 PRESSAVG: 1816600 -13.5845 -33.1204 -2.36853 -33.1203 16.0256 -0.64605 -2.36852 -0.646114 6.846 GPRESSAVG: 1816600 -13.5319 -33.7008 -3.38444 -32.9623 16.0282 0.728164 -1.23651 -0.546538 6.8769 TIMING: 1816600 CPU: 5478.1, 0.00298096/step Wall: 5478.1, 0.00298096/step, 2.63599 hours remaining, 207.679688 MB of memory in use. ENERGY: 1816600 756.3238 2097.2695 1941.1813 110.7575 -205467.2569 17454.4735 0.0000 0.0000 34110.8693 -148996.3821 297.8987 -183107.2514 -148906.8049 300.3330 -215.8630 -181.5828 558653.6339 3.0957 3.1244 PRESSURE: 1816800 119.337 -106.336 39.4556 -106.336 195.055 -89.7433 39.4552 -89.7427 -98.8438 GPRESSURE: 1816800 126.828 -110.594 58.0205 -110.714 232.002 -62.6044 58.685 -120.501 -42.5008 PRESSAVG: 1816800 -57.2588 -24.0368 -20.1385 -24.0367 -0.142222 -16.8445 -20.1385 -16.8445 55.9263 GPRESSAVG: 1816800 -58.1721 -23.397 -16.3105 -24.4357 -0.572268 -17.4834 -20.5571 -16.56 57.2207 TIMING: 1816800 CPU: 5478.71, 0.00302785/step Wall: 5478.71, 0.00302785/step, 2.67729 hours remaining, 207.679688 MB of memory in use. ENERGY: 1816800 760.3506 2100.7254 1914.7783 125.0422 -206140.4586 17870.6005 0.0000 0.0000 34376.9853 -148991.9763 300.2228 -183368.9616 -148900.4849 300.3445 71.8494 105.4430 558274.4231 -0.4916 -0.5079 PRESSURE: 1817000 -82.6686 -124.418 56.1345 -124.417 286.803 -140.862 56.1353 -140.863 238.444 GPRESSURE: 1817000 -17.6558 -211.377 29.4977 -137.163 314.475 -104.594 136.738 -148.594 239.051 PRESSAVG: 1817000 -51.3559 -56.7304 -17.3745 -56.7304 -13.364 -40.4785 -17.3746 -40.4786 -7.30103 GPRESSAVG: 1817000 -50.8235 -58.7346 -16.6084 -54.0663 -13.4868 -40.261 -20.0521 -40.2452 -7.32371 TIMING: 1817000 CPU: 5479.31, 0.00302758/step Wall: 5479.31, 0.00302758/step, 2.67688 hours remaining, 207.804688 MB of memory in use. ENERGY: 1817000 734.4613 2075.1397 1913.3233 104.2785 -206794.3080 18102.2178 0.0000 0.0000 34663.9646 -149200.9228 302.7290 -183864.8874 -149107.4670 299.2701 147.5261 178.6233 556683.6950 -24.0070 -23.8780 PRESSURE: 1817200 262.534 -77.9349 -48.5502 -77.9342 38.3241 139.936 -48.5506 139.935 185.16 GPRESSURE: 1817200 310.885 -82.1954 -38.0103 -78.8516 68.2588 61.5343 -65.3566 162.498 215 PRESSAVG: 1817200 -26.817 -12.7567 -50.356 -12.7568 85.1594 18.7049 -50.356 18.7047 -14.5347 GPRESSAVG: 1817200 -27.2054 -10.5828 -54.5499 -15.0874 85.3963 18.9232 -47.5288 17.7619 -14.65 TIMING: 1817200 CPU: 5479.91, 0.00300904/step Wall: 5479.91, 0.00300904/step, 2.66033 hours remaining, 207.804688 MB of memory in use. ENERGY: 1817200 739.1192 2051.2240 1945.5895 117.8976 -206648.0017 18187.7932 0.0000 0.0000 34257.3182 -149349.0600 299.1777 -183606.3782 -149260.8253 299.3383 162.0060 198.0482 557698.4646 14.6026 14.5137 PRESSURE: 1817400 50.4063 185.745 -12.2578 185.745 235.824 -25.0705 -12.2576 -25.0715 -117.349 GPRESSURE: 1817400 91.57 130.477 -63.0102 173.853 256.978 -11.9986 -4.93836 -44.878 -81.618 PRESSAVG: 1817400 53.2036 0.469374 -44.3027 0.469389 6.95859 -48.0134 -44.3028 -48.0133 -49.6608 GPRESSAVG: 1817400 54.7953 0.306946 -43.1832 0.366486 5.74876 -47.9644 -46.7396 -48.1632 -50.4732 TIMING: 1817400 CPU: 5480.52, 0.00300791/step Wall: 5480.52, 0.00300791/step, 2.65916 hours remaining, 207.804688 MB of memory in use. ENERGY: 1817400 746.8388 2102.2706 1923.6109 118.3595 -206479.1078 18076.7286 0.0000 0.0000 34069.7994 -149441.5000 297.5400 -183511.2994 -149344.8127 298.7337 56.2937 88.9766 558053.6575 3.5005 3.3570 PRESSURE: 1817600 12.8598 -39.8823 -57.929 -39.8816 -16.2027 -14.4368 -57.9287 -14.437 -397.127 GPRESSURE: 1817600 25.5565 32.8711 -106.115 -55.8275 20.8629 22.7869 1.32486 30.157 -342.327 PRESSAVG: 1817600 5.32704 45.3194 -8.4347 45.3194 64.7711 -0.740286 -8.43467 -0.740305 -70.2089 GPRESSAVG: 1817600 3.96406 44.793 -9.56292 45.8495 66.2165 -1.90804 -5.80431 1.04533 -70.3859 TIMING: 1817600 CPU: 5481.12, 0.00302373/step Wall: 5481.12, 0.00302373/step, 2.67298 hours remaining, 207.804688 MB of memory in use. ENERGY: 1817600 749.6721 2097.2067 1947.4734 111.7636 -206256.9757 17907.3897 0.0000 0.0000 34162.4665 -149281.0037 298.3493 -183443.4702 -149177.3552 298.4516 -133.4901 -98.6360 558521.4647 -0.0369 -0.0684 PRESSURE: 1817800 -149.333 47.0388 -66.7409 47.039 137.607 1.00461 -66.7421 1.00328 -281.382 GPRESSURE: 1817800 -118.09 72.9494 -48.2743 44.351 209.593 -15.8809 -168.798 -7.56616 -296.258 PRESSAVG: 1817800 -7.99592 26.309 -63.5012 26.3091 110.172 20.4081 -63.5013 20.4081 -55.3458 GPRESSAVG: 1817800 -7.55245 27.1531 -62.2818 26.8499 110.521 22.764 -65.0272 18.6574 -55.9176 TIMING: 1817800 CPU: 5481.72, 0.00300868/step Wall: 5481.72, 0.00300868/step, 2.65951 hours remaining, 208.007812 MB of memory in use. ENERGY: 1817800 752.7836 2064.9809 1943.0336 131.8645 -205628.2373 17587.5846 0.0000 0.0000 34015.9171 -149132.0731 297.0695 -183147.9902 -149035.0531 299.1506 -97.7025 -68.2517 559374.6249 15.6101 15.6837 PRESSURE: 1818000 -5.55552 -23.1733 36.2325 -23.1741 80.4642 -14.4517 36.2336 -14.451 -100.27 GPRESSURE: 1818000 34.048 -32.0119 40.9555 11.9475 80.6098 -26.8794 81.0135 -17.196 -55.0126 PRESSAVG: 1818000 -33.0118 4.23987 -0.768139 4.23993 33.8464 -1.09843 -0.768074 -1.09846 -38.4617 GPRESSAVG: 1818000 -34.4337 3.51003 -1.19916 4.09907 34.2983 -0.93645 -0.119999 -1.90133 -37.821 TIMING: 1818000 CPU: 5482.33, 0.00302008/step Wall: 5482.33, 0.00302008/step, 2.66942 hours remaining, 208.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1818000 751.0442 2060.5876 1910.6440 114.3386 -206211.5667 17790.4963 0.0000 0.0000 34312.1086 -149272.3475 299.6562 -183584.4561 -149169.4287 299.1364 -8.4539 19.8818 558807.3923 -12.5423 -12.6521 PRESSURE: 1818200 347.753 -45.5105 102.868 -45.5101 20.0459 110.797 102.868 110.796 55.6119 GPRESSURE: 1818200 387.442 -36.3161 35.6926 -56.6759 -13.9474 97.6646 183.502 86.9591 146.196 PRESSAVG: 1818200 53.9846 -73.565 38.7463 -73.565 3.54921 37.4821 38.7463 37.482 -39.8401 GPRESSAVG: 1818200 55.6013 -71.9158 37.6593 -75.5872 1.13954 37.7242 40.1815 38.0435 -39.1537 TIMING: 1818200 CPU: 5482.93, 0.00303848/step Wall: 5482.93, 0.00303848/step, 2.68551 hours remaining, 208.007812 MB of memory in use. ENERGY: 1818200 709.5173 2135.1142 1934.2763 115.8273 -206198.5544 17901.2298 0.0000 0.0000 34322.0090 -149080.5805 299.7426 -183402.5895 -148990.6690 299.3359 141.1369 173.2303 557949.5665 5.8979 5.8624 PRESSURE: 1818400 -175.711 -108.711 44.0077 -108.709 -97.1458 85.9209 44.0091 85.9208 16.9307 GPRESSURE: 1818400 -145.267 -105.328 -45.4095 -62.5049 -25.9006 81.5793 74.0032 22.794 19.2291 PRESSAVG: 1818400 56.3984 -30.3952 40.9663 -30.3951 -66.0705 6.22683 40.9664 6.22667 8.24343 GPRESSAVG: 1818400 55.947 -29.6242 41.8891 -28.5842 -65.2898 4.69916 39.2611 7.33866 8.35822 TIMING: 1818400 CPU: 5483.54, 0.00301533/step Wall: 5483.54, 0.00301533/step, 2.66488 hours remaining, 208.007812 MB of memory in use. ENERGY: 1818400 719.6193 2088.1855 1941.2935 101.1458 -206065.9440 17703.7367 0.0000 0.0000 34245.8380 -149266.1253 299.0774 -183511.9633 -149168.5262 299.0979 -85.3087 -50.6463 558339.0902 -0.4762 -0.3282 PRESSURE: 1818600 -139.429 -49.9935 -28.6074 -49.9939 110.693 -67.9109 -28.609 -67.9112 -194.227 GPRESSURE: 1818600 -122.021 -1.14999 -34.9373 -152.857 133.394 -48.6313 -61.0581 -52.6871 -128.923 PRESSAVG: 1818600 37.8984 3.71964 5.56658 3.71954 -10.8809 -42.7429 5.56662 -42.7428 -37.0045 GPRESSAVG: 1818600 37.9797 3.16006 5.21327 1.43752 -11.02 -41.2172 6.9711 -44.4377 -36.3263 TIMING: 1818600 CPU: 5484.13, 0.00298673/step Wall: 5484.13, 0.00298673/step, 2.63944 hours remaining, 208.007812 MB of memory in use. ENERGY: 1818600 753.6684 2112.4702 1919.1346 107.1135 -206154.6355 17896.7715 0.0000 0.0000 34365.1154 -149000.3619 300.1191 -183365.4773 -148901.0668 299.2461 -74.3208 -39.1832 558302.6506 -3.3290 -3.1222 PRESSURE: 1818800 -248.917 -15.4213 50.5916 -15.4203 -203.593 68.8913 50.592 68.8919 -190.208 GPRESSURE: 1818800 -186.335 -27.1097 141.509 14.5113 -159.789 51.7142 0.260887 48.3159 -214.375 PRESSAVG: 1818800 -9.0075 -103.225 -1.56479 -103.225 27.73 -58.9513 -1.56488 -58.9514 13.7609 GPRESSAVG: 1818800 -8.63813 -101.662 0.493391 -103.415 29.1038 -61.4208 -2.40595 -57.4976 11.8808 TIMING: 1818800 CPU: 5484.74, 0.0030113/step Wall: 5484.74, 0.0030113/step, 2.66099 hours remaining, 208.007812 MB of memory in use. ENERGY: 1818800 745.0735 2067.9413 1932.1744 118.4604 -205493.4496 17461.6433 0.0000 0.0000 34173.7088 -148994.4479 298.4475 -183168.1566 -148903.3042 300.2310 -214.2393 -186.8329 559211.0087 10.8278 10.7821 PRESSURE: 1819000 -154.228 249.323 178.158 249.324 -165.497 55.384 178.16 55.3847 160.561 GPRESSURE: 1819000 -103.109 265.763 158.724 238.493 -126.147 60.0568 132.763 46.0806 185.047 PRESSAVG: 1819000 -25.2036 50.9121 -22.0283 50.9121 11.1956 18.6835 -22.0284 18.6834 -18.0491 GPRESSAVG: 1819000 -25.4992 50.8305 -23.0331 51.6263 10.6992 20.4674 -21.7361 18.0071 -16.8896 TIMING: 1819000 CPU: 5485.34, 0.00300375/step Wall: 5485.34, 0.00300375/step, 2.65415 hours remaining, 208.007812 MB of memory in use. ENERGY: 1819000 734.5773 2062.4831 1933.0389 110.4710 -206140.9227 17774.5657 0.0000 0.0000 34355.0986 -149170.6881 300.0316 -183525.7867 -149074.4274 299.4840 -53.0544 -14.7364 559010.1860 -10.6857 -10.5632 PRESSURE: 1819200 -171.614 35.8543 99.3435 35.8542 -234.88 146.547 99.3439 146.546 -30.4744 GPRESSURE: 1819200 -93.7402 -51.2252 90.4106 120.609 -182.058 37.9965 131.04 105.095 -68.7917 PRESSAVG: 1819200 0.523326 35.4446 65.3987 35.4447 -16.8002 1.26762 65.3987 1.26755 18.2003 GPRESSAVG: 1819200 -0.0450823 34.7749 65.5931 38.7576 -16.4104 -0.709395 64.1701 2.96164 18.2661 TIMING: 1819200 CPU: 5485.94, 0.00301406/step Wall: 5485.94, 0.00301406/step, 2.66309 hours remaining, 208.007812 MB of memory in use. ENERGY: 1819200 744.5323 2097.9941 1926.2264 107.3169 -206273.2047 17679.9920 0.0000 0.0000 34472.9633 -149244.1798 301.0610 -183717.1430 -149151.9726 299.7979 -145.6562 -114.8634 557778.2938 0.6412 0.6035 PRESSURE: 1819400 43.9229 95.7848 115.464 95.7855 -27.9654 66.9399 115.464 66.9372 -50.8605 GPRESSURE: 1819400 95.8314 90.4694 113.083 94.4796 13.4923 77.8337 121.704 19.9486 -50.776 PRESSAVG: 1819400 -12.6692 57.9599 -13.8412 57.9599 -4.39787 23.8456 -13.8412 23.8457 38.743 GPRESSAVG: 1819400 -11.657 57.8299 -14.6154 56.9303 -4.21959 27.76 -13.5604 21.4796 37.8078 TIMING: 1819400 CPU: 5486.54, 0.00302491/step Wall: 5486.54, 0.00302491/step, 2.67251 hours remaining, 208.007812 MB of memory in use. ENERGY: 1819400 739.2567 2115.5433 1899.6414 114.2350 -206259.3443 17884.0851 0.0000 0.0000 34567.5106 -148939.0722 301.8867 -183506.5828 -148842.4581 299.7478 -11.6343 19.5159 558731.4445 7.2253 7.3104 PRESSURE: 1819600 35.2402 101.913 222.576 101.913 105.253 165.183 222.576 165.183 355.425 GPRESSURE: 1819600 79.2357 127.651 139.406 27.4581 125.495 171.437 237.604 164.09 381.678 PRESSAVG: 1819600 -18.1351 55.2582 -8.40471 55.2582 -26.567 29.5559 -8.40465 29.5561 49.9891 GPRESSAVG: 1819600 -19.1353 54.2858 -6.59205 52.9974 -26.1461 26.7116 -9.36319 31.4769 50.6063 TIMING: 1819600 CPU: 5487.15, 0.00302733/step Wall: 5487.15, 0.00302733/step, 2.67448 hours remaining, 208.007812 MB of memory in use. ENERGY: 1819600 705.1532 2086.1172 1951.9176 111.4446 -205979.8720 17774.8467 0.0000 0.0000 34323.6907 -149026.7019 299.7573 -183350.3926 -148936.2324 299.6250 165.3064 195.4694 557610.5168 1.7623 1.7750 PRESSURE: 1819800 -36.3883 3.45467 -160.225 3.45518 -277.649 134.076 -160.226 134.075 -10.016 GPRESSURE: 1819800 -26.3817 -8.1735 -139.111 -61.722 -239.632 77.2224 -167.73 165.744 44.7005 PRESSAVG: 1819800 -87.4675 45.5955 7.63692 45.5955 -10.341 29.3207 7.63684 29.3208 114.511 GPRESSAVG: 1819800 -86.2183 45.3129 5.0997 46.3792 -11.9889 28.8666 10.0461 28.9787 115.266 TIMING: 1819800 CPU: 5487.75, 0.00298183/step Wall: 5487.75, 0.00298183/step, 2.63412 hours remaining, 208.007812 MB of memory in use. ENERGY: 1819800 754.4370 2071.3069 1935.0962 102.2811 -205862.3377 17666.5786 0.0000 0.0000 33984.2941 -149348.3439 296.7933 -183332.6380 -149251.2435 299.0503 -108.0176 -73.7710 558460.1342 5.5675 5.6864 PRESSURE: 1820000 -481.243 126.174 -12.0093 126.174 -188.246 -108.473 -12.0096 -108.474 -378.794 GPRESSURE: 1820000 -440.799 221.604 46.4343 63.8113 -102.32 -46.9842 -126.113 -82.7256 -402.858 PRESSAVG: 1820000 26.8769 -15.2843 -72.6618 -15.2844 -27.2465 2.59473 -72.6618 2.59474 7.36644 GPRESSAVG: 1820000 27.1038 -13.6756 -70.6333 -15.0401 -26.9287 5.68147 -76.8062 0.709329 6.97355 TIMING: 1820000 CPU: 5488.35, 0.00300895/step Wall: 5488.35, 0.00300895/step, 2.6579 hours remaining, 208.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1820000 740.2639 2074.5736 1930.1603 117.2331 -206008.4532 17495.7212 0.0000 0.0000 34086.4834 -149564.0178 297.6857 -183650.5011 -149476.7463 298.5123 -349.4278 -315.3259 559814.8521 2.3323 2.3829 PRESSURE: 1820200 14.862 137.32 102.203 137.319 -16.4987 199.863 102.204 199.861 -8.05129 GPRESSURE: 1820200 85.9256 91.3311 21.8394 180.036 3.097 198.393 97.9797 224.621 3.17977 PRESSAVG: 1820200 -33.9629 38.2237 -9.52908 38.2237 -22.8889 -9.04551 -9.52911 -9.04556 60.3969 GPRESSAVG: 1820200 -33.4524 37.142 -10.7963 40.1407 -23.2405 -10.0415 -5.93795 -7.79958 60.2895 TIMING: 1820200 CPU: 5488.95, 0.00299826/step Wall: 5488.95, 0.00299826/step, 2.6483 hours remaining, 208.007812 MB of memory in use. ENERGY: 1820200 723.0725 2076.3568 1897.7765 94.3480 -206448.3456 17913.7636 0.0000 0.0000 34191.9206 -149551.1075 298.6065 -183743.0281 -149459.6037 298.4480 -3.2293 30.7341 556805.2934 1.1817 1.1989 LDB: ============= START OF LOAD BALANCING ============== 5492.47 LDB: ============== END OF LOAD BALANCING =============== 5492.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5492.47 LDB: ============= START OF LOAD BALANCING ============== 5492.77 LDB: Largest compute 4800 load 0.029252 is 24.8% of average load 0.117977 LDB: Average compute 0.001728 is 1.5% of average load 0.117977 LDB: TIME 5492.77 LOAD: AVG 0.117977 MAX 0.211585 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.133 MB LDB: TIME 5492.78 LOAD: AVG 0.117977 MAX 0.211585 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.133 MB LDB: TIME 5492.78 LOAD: AVG 0.117977 MAX 0.211585 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.133 MB LDB: ============== END OF LOAD BALANCING =============== 5492.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5492.78 PRESSURE: 1820400 179.696 -16.6552 -91.1094 -16.6565 -213.454 25.8707 -91.1101 25.8697 -87.0664 GPRESSURE: 1820400 174.111 -44.6802 -48.3588 7.82144 -163.322 7.68193 -122.945 60.8097 -20.9589 PRESSAVG: 1820400 14.1289 2.48355 -5.32482 2.48352 -43.388 27.8753 -5.32486 27.8754 36.0874 GPRESSAVG: 1820400 12.9386 1.138 -5.39375 3.17354 -41.7006 26.5233 -7.41543 28.4738 35.7393 TIMING: 1820400 CPU: 5489.56, 0.00308359/step Wall: 5489.56, 0.00308359/step, 2.7235 hours remaining, 208.785156 MB of memory in use. ENERGY: 1820400 719.6398 2095.3718 1919.0484 118.0838 -206240.4001 17682.3962 0.0000 0.0000 34160.9288 -149544.9314 298.3359 -183705.8602 -149449.3390 298.1935 -40.2748 -3.3900 557352.4955 2.2761 2.3258 PRESSURE: 1820600 173.164 -50.8986 5.48115 -50.8986 -138.787 90.5533 5.48063 90.554 5.74516 GPRESSURE: 1820600 214.534 -32.9805 -127.444 18.9525 -83.378 119.795 70.729 131.895 0.777343 PRESSAVG: 1820600 53.2193 -56.5595 2.58736 -56.5596 -5.21854 42.3741 2.5874 42.3742 -59.7369 GPRESSAVG: 1820600 53.1497 -55.4957 3.50575 -57.8659 -5.93899 42.7948 4.38799 43.4261 -58.92 TIMING: 1820600 CPU: 5490.17, 0.00301978/step Wall: 5490.17, 0.00301978/step, 2.66697 hours remaining, 208.988281 MB of memory in use. ENERGY: 1820600 738.0322 2078.2663 1901.7452 101.5436 -206517.4346 17718.8284 0.0000 0.0000 34192.6997 -149786.3191 298.6134 -183979.0188 -149690.4154 298.4232 13.3740 43.9778 555247.1827 -3.9120 -3.9031 PRESSURE: 1820800 -222.372 48.5847 -73.4661 48.5845 -360.977 13.5663 -73.4653 13.5656 -243.546 GPRESSURE: 1820800 -241.173 29.5291 -121.385 78.4846 -289.969 -26.1764 -80.1952 18.4405 -201.749 PRESSAVG: 1820800 1.09405 -25.3183 11.9692 -25.3183 31.2461 -11.0177 11.9692 -11.0177 5.88763 GPRESSAVG: 1820800 0.708508 -26.5795 12.8743 -25.4569 30.3358 -12.2358 11.6368 -10.4965 7.02834 TIMING: 1820800 CPU: 5490.77, 0.00301465/step Wall: 5490.77, 0.00301465/step, 2.66227 hours remaining, 208.988281 MB of memory in use. ENERGY: 1820800 779.0267 2057.9212 1903.4246 115.3823 -206390.2427 17567.4136 0.0000 0.0000 34201.6939 -149765.3803 298.6919 -183967.0742 -149664.6550 298.5409 -275.6316 -244.2971 556712.0518 12.7426 12.6909 PRESSURE: 1821000 228.579 -95.9487 -18.2359 -95.9491 -417.67 4.633 -18.2348 4.63417 -92.4587 GPRESSURE: 1821000 196.076 -123.749 -95.9116 -79.2831 -318.402 43.2509 -7.72337 -6.79893 -57.9548 PRESSAVG: 1821000 82.1963 -41.3739 20.4624 -41.3739 -17.9796 -32.5224 20.4625 -32.5224 -8.29166 GPRESSAVG: 1821000 82.1472 -38.9684 16.6982 -42.5069 -17.2111 -31.6327 20.5647 -32.4472 -9.19825 TIMING: 1821000 CPU: 5491.37, 0.00301138/step Wall: 5491.37, 0.00301138/step, 2.65921 hours remaining, 208.988281 MB of memory in use. ENERGY: 1821000 739.6275 2083.5082 1919.9632 99.4484 -206267.9482 17699.2156 0.0000 0.0000 34096.4292 -149629.7561 297.7726 -183726.1853 -149539.3478 298.5478 -93.8498 -60.0935 556860.8699 18.6417 18.5793 PRESSURE: 1821200 -76.3108 102.023 -88.8653 102.022 -90.3233 -69.5655 -88.8657 -69.5659 -114.64 GPRESSURE: 1821200 -3.08247 166.45 -83.9884 19.69 -68.3801 -5.31477 -127.208 -47.3371 -116.733 PRESSAVG: 1821200 88.4389 10.6743 -51.3797 10.6742 -61.8784 -33.4756 -51.3798 -33.4756 -44.8563 GPRESSAVG: 1821200 89.4898 9.65514 -47.4453 10.9616 -62.4221 -32.3807 -51.808 -35.9295 -45.6399 TIMING: 1821200 CPU: 5491.97, 0.0029983/step Wall: 5491.97, 0.0029983/step, 2.6475 hours remaining, 208.988281 MB of memory in use. ENERGY: 1821200 767.1287 2152.2421 1905.3397 111.9556 -206245.0195 17627.2080 0.0000 0.0000 33961.6502 -149719.4953 296.5955 -183681.1455 -149620.7124 298.0770 -93.7580 -62.7320 556889.9278 -6.0986 -6.1908 PRESSURE: 1821400 335.301 -213.995 38.38 -213.994 69.9475 94.7169 38.3802 94.716 323.443 GPRESSURE: 1821400 359.951 -212.789 82.4286 -177.379 77.8617 157.032 38.9683 98.3057 400.718 PRESSAVG: 1821400 62.1709 -25.5867 -15.4151 -25.5867 32.4924 -4.96035 -15.415 -4.96036 -74.4931 GPRESSAVG: 1821400 62.4424 -24.9435 -15.9243 -24.9121 32.2602 -5.39366 -15.8111 -1.84501 -74.4311 TIMING: 1821400 CPU: 5492.57, 0.002992/step Wall: 5492.57, 0.002992/step, 2.64177 hours remaining, 208.988281 MB of memory in use. ENERGY: 1821400 724.9220 2167.1010 1910.3789 122.4618 -206816.4005 18283.2068 0.0000 0.0000 33927.5118 -149680.8182 296.2974 -183608.3300 -149585.0017 297.8218 242.8972 279.5102 556302.4217 6.7234 6.7572 PRESSURE: 1821600 140.011 -23.1723 -18.4598 -23.1721 -5.1788 -95.7863 -18.4598 -95.7862 -117.324 GPRESSURE: 1821600 146.01 -68.5696 -95.8217 33.9188 -30.4829 -64.3516 -24.5888 -89.9515 -0.436693 PRESSAVG: 1821600 60.4333 17.3979 -23.1728 17.398 -52.98 -17.0917 -23.173 -17.0917 -1.32313 GPRESSAVG: 1821600 59.9065 16.9773 -23.9105 15.9529 -52.0539 -17.2845 -25.0318 -17.2156 -1.54285 TIMING: 1821600 CPU: 5493.17, 0.00300963/step Wall: 5493.17, 0.00300963/step, 2.65717 hours remaining, 208.988281 MB of memory in use. ENERGY: 1821600 733.8391 2152.7179 1937.3607 120.0380 -206339.2217 17750.1428 0.0000 0.0000 33874.3167 -149770.8065 295.8328 -183645.1232 -149670.1804 296.9919 5.8358 38.3634 557612.5284 2.0434 2.1033 PRESSURE: 1821800 -375.223 -4.0731 -146.572 -4.07414 -174.117 -37.4365 -146.571 -37.435 -324.919 GPRESSURE: 1821800 -330.404 -29.5308 -191.881 -88.9289 -132.988 -117.806 -231.009 28.7403 -314.747 PRESSAVG: 1821800 3.34486 27.4767 51.0104 27.4767 -9.60016 -40.8864 51.0103 -40.8864 28.7918 GPRESSAVG: 1821800 3.02685 27.8275 50.6452 27.3309 -9.30194 -40.2476 52.63 -43.4489 28.1801 TIMING: 1821800 CPU: 5493.78, 0.0030113/step Wall: 5493.78, 0.0030113/step, 2.65848 hours remaining, 208.988281 MB of memory in use. ENERGY: 1821800 787.3067 2055.4290 1946.5890 113.5289 -206177.7557 17530.0283 0.0000 0.0000 34086.1582 -149658.7156 297.6829 -183744.8738 -149549.0478 298.0428 -291.4196 -259.3797 558259.2771 7.5122 7.3017 PRESSURE: 1822000 68.1773 26.9783 -274.433 26.9778 131.99 -48.6928 -274.432 -48.6935 -268.348 GPRESSURE: 1822000 49.1372 41.3539 -249.938 70.7784 195.967 -24.0699 -295.68 -67.6825 -220.326 PRESSAVG: 1822000 -41.8676 52.2954 1.68567 52.2955 -15.0488 -46.5257 1.68567 -46.5258 12.5162 GPRESSAVG: 1822000 -41.571 51.597 0.881459 54.1342 -15.5082 -46.9574 2.07702 -45.5716 12.3881 TIMING: 1822000 CPU: 5494.38, 0.00301414/step Wall: 5494.38, 0.00301414/step, 2.66082 hours remaining, 208.988281 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: 1822000 749.9865 2125.4208 1925.3289 116.8474 -206550.1986 17886.4494 0.0000 0.0000 34071.1016 -149675.0640 297.5514 -183746.1656 -149576.4023 298.3397 -22.7269 8.2594 556798.4862 -14.8001 -14.8970 PRESSURE: 1822200 -146.067 -136.391 -168.719 -136.389 -116.556 -90.915 -168.719 -90.9158 -8.54753 GPRESSURE: 1822200 -132.682 -136.136 -332.152 -86.9535 -61.9143 10.6848 -100.222 -186.763 12.9304 PRESSAVG: 1822200 3.18504 13.6915 -28.191 13.6915 -16.6342 -19.7563 -28.1911 -19.7563 21.5 GPRESSAVG: 1822200 2.0848 15.9087 -27.1698 11.2358 -16.4421 -21.3521 -26.7834 -17.2347 21.9813 TIMING: 1822200 CPU: 5494.98, 0.0030022/step Wall: 5494.98, 0.0030022/step, 2.65011 hours remaining, 208.988281 MB of memory in use. ENERGY: 1822200 746.4050 2092.8837 1951.1097 116.1355 -206215.4501 17753.0053 0.0000 0.0000 34004.3038 -149551.6071 296.9680 -183555.9108 -149445.4024 298.3462 -90.3902 -60.5552 557003.9839 2.6836 2.5413 PRESSURE: 1822400 122.662 -9.84098 6.6888 -9.8414 -118.973 -88.481 6.68705 -88.4813 -89.6847 GPRESSURE: 1822400 135.877 61.493 48.4834 -73.6618 -5.42223 -123.388 5.35035 -75.2162 -107.886 PRESSAVG: 1822400 -22.5152 -1.71911 -40.0905 -1.71909 -11.6388 -33.1688 -40.0904 -33.1688 18.7736 GPRESSAVG: 1822400 -22.0361 -3.57381 -41.7818 1.54596 -11.6043 -33.7643 -40.4552 -32.4193 17.6532 TIMING: 1822400 CPU: 5495.59, 0.00302891/step Wall: 5495.59, 0.00302891/step, 2.67352 hours remaining, 209.058594 MB of memory in use. ENERGY: 1822400 778.8136 2065.9149 1941.2497 112.4646 -206223.2870 17747.9230 0.0000 0.0000 34179.8185 -149397.1028 298.5009 -183576.9212 -149308.7243 298.6414 -28.6653 7.5227 555738.1646 -5.1268 -5.3291 PRESSURE: 1822600 162.395 74.929 -78.8201 74.9294 116.159 45.5496 -78.8203 45.5485 151.624 GPRESSURE: 1822600 160.656 3.75491 44.7331 173.919 164.607 62.7821 -227.986 56.0884 208.633 PRESSAVG: 1822600 -36.5788 23.649 -28.5624 23.6491 -26.2579 10.5039 -28.5625 10.5037 42.0614 GPRESSAVG: 1822600 -36.6241 26.0785 -26.504 20.9279 -26.6304 11.8249 -28.438 7.30885 42.5806 TIMING: 1822600 CPU: 5496.19, 0.00300707/step Wall: 5496.19, 0.00300707/step, 2.65407 hours remaining, 209.261719 MB of memory in use. ENERGY: 1822600 767.4823 2062.8795 1941.1990 99.0311 -206686.1993 18213.2669 0.0000 0.0000 34201.4101 -149400.9304 298.6894 -183602.3405 -149308.6117 298.5336 143.3925 177.9654 556446.0472 -6.9251 -6.8913 PRESSURE: 1822800 2.55886 122.602 0.356531 122.603 153.021 -6.85022 0.35721 -6.85083 168.063 GPRESSURE: 1822800 11.7007 103.761 -16.7407 61.1034 191.312 -36.5208 19.9809 23.8719 201.785 PRESSAVG: 1822800 -29.7421 5.00108 9.20732 5.00101 13.1174 28.9246 9.20732 28.9246 47.3914 GPRESSAVG: 1822800 -29.5252 3.28762 7.50978 5.93985 13.4753 27.3217 8.43183 29.2497 46.9341 TIMING: 1822800 CPU: 5496.79, 0.00300088/step Wall: 5496.79, 0.00300088/step, 2.64844 hours remaining, 209.261719 MB of memory in use. ENERGY: 1822800 746.4415 2066.6639 1913.2364 114.5041 -206643.7164 18035.7865 0.0000 0.0000 34200.5067 -149566.5773 298.6815 -183767.0840 -149467.7549 298.2354 107.8810 134.9326 557955.3280 10.2556 10.2947 PRESSURE: 1823000 -228.09 0.364274 52.7506 0.363245 -124.479 -7.76409 52.7508 -7.76319 112.964 GPRESSURE: 1823000 -184.838 -64.2828 -74.521 -15.4619 -98.0927 -45.0434 84.5831 70.9782 156.885 PRESSAVG: 1823000 -20.2787 24.1288 15.8376 24.1287 33.3988 -0.801871 15.8375 -0.801908 -6.1122 GPRESSAVG: 1823000 -20.6807 24.5077 17.7875 24.3215 34.0782 1.07568 16.0291 -0.0455253 -5.98154 TIMING: 1823000 CPU: 5497.39, 0.00301724/step Wall: 5497.39, 0.00301724/step, 2.66272 hours remaining, 209.261719 MB of memory in use. ENERGY: 1823000 772.4204 2094.4379 1943.7172 99.6669 -206568.4085 17919.5962 0.0000 0.0000 34158.9644 -149579.6054 298.3187 -183738.5698 -149480.4080 298.3602 -79.8682 -42.0152 556840.0194 2.3359 2.4720 PRESSURE: 1823200 -121.025 -55.7598 -87.1354 -55.7607 -280.86 27.7391 -87.1345 27.7392 -263.642 GPRESSURE: 1823200 -73.647 -57.9668 -155.215 62.9237 -267.885 43.3129 -40.9497 -29.2979 -229.771 PRESSAVG: 1823200 -44.9281 26.7062 -6.80343 26.7061 -13.7047 10.7579 -6.80348 10.7579 46.0861 GPRESSAVG: 1823200 -44.4095 27.0682 -8.1481 27.4171 -15.2263 9.15469 -6.36671 8.92948 46.6291 TIMING: 1823200 CPU: 5497.99, 0.00300738/step Wall: 5497.99, 0.00300738/step, 2.65385 hours remaining, 209.261719 MB of memory in use. ENERGY: 1823200 766.5815 2140.5613 1893.4563 100.8071 -206140.2338 17684.5463 0.0000 0.0000 34122.3923 -149431.8891 297.9993 -183554.2813 -149333.1600 298.3337 -221.8420 -190.4342 558657.1137 -4.1822 -4.3356 PRESSURE: 1823400 25.075 -4.20257 -8.47421 -4.20247 -164.047 -71.9923 -8.47299 -71.9933 12.0224 GPRESSURE: 1823400 87.486 29.3209 20.4205 85.1307 -142.665 -128.133 -25.8351 -56.3189 28.3773 PRESSAVG: 1823400 -20.4378 -7.58862 -15.0136 -7.58863 -4.92081 13.7341 -15.0135 13.7341 -4.16901 GPRESSAVG: 1823400 -21.449 -8.37059 -16.1373 -7.02859 -4.25769 14.1985 -16.7044 16.334 -4.31061 TIMING: 1823400 CPU: 5498.59, 0.00301161/step Wall: 5498.59, 0.00301161/step, 2.65741 hours remaining, 209.261719 MB of memory in use. ENERGY: 1823400 789.7903 2085.5064 1935.6408 110.1185 -206419.6074 17885.4972 0.0000 0.0000 34267.4529 -149345.6013 299.2662 -183613.0542 -149245.9216 298.6086 -42.3165 -8.9340 556888.8271 -9.8425 -10.0058 PRESSURE: 1823600 234.515 72.7141 -136.336 72.7146 302.348 27.3727 -136.338 27.3737 -138.249 GPRESSURE: 1823600 264.179 77.6618 -205.486 141.796 319.02 60.1999 -34.0456 1.30273 -115.96 PRESSAVG: 1823600 35.0247 6.79452 8.15872 6.79458 -19.9279 14.1121 8.15875 14.112 -9.69937 GPRESSAVG: 1823600 35.4039 6.72555 9.66965 6.37468 -19.819 15.2193 9.47246 12.5951 -10.5535 TIMING: 1823600 CPU: 5499.2, 0.00302724/step Wall: 5499.2, 0.00302724/step, 2.67103 hours remaining, 209.261719 MB of memory in use. ENERGY: 1823600 741.4424 2101.0733 1947.2759 107.1424 -206293.4866 17918.3077 0.0000 0.0000 34246.8662 -149231.3787 299.0864 -183478.2448 -149141.3473 298.7849 132.8714 155.7465 555285.0860 1.7992 1.6771 PRESSURE: 1823800 -78.3477 64.3795 23.7551 64.381 72.9888 21.0915 23.7539 21.0902 31.7971 GPRESSURE: 1823800 -27.1439 97.6801 45.9494 120.701 114.908 17.8687 54.1174 56.7063 32.596 PRESSAVG: 1823800 -38.4783 41.0117 42.5586 41.0117 39.3278 -6.68286 42.5585 -6.68296 -7.84436 GPRESSAVG: 1823800 -37.7917 42.5226 42.5708 40.1278 39.0593 -8.53625 42.4919 -5.06474 -7.81317 TIMING: 1823800 CPU: 5499.8, 0.00301673/step Wall: 5499.8, 0.00301673/step, 2.6616 hours remaining, 209.261719 MB of memory in use. ENERGY: 1823800 736.8017 2105.3822 1921.7617 111.3216 -206114.3915 17696.1361 0.0000 0.0000 34129.2644 -149413.7238 298.0594 -183542.9882 -149316.0607 299.2901 8.8127 40.1202 555771.7273 -2.3316 -2.1819 PRESSURE: 1824000 -0.958704 61.6857 -76.6326 61.6855 176.028 64.2125 -76.6325 64.2126 -83.8972 GPRESSURE: 1824000 38.5729 122.29 -6.3786 8.42524 157.636 75.0918 -99.3132 4.60432 -3.20399 PRESSAVG: 1824000 -8.35654 -58.6942 7.03122 -58.6942 48.0093 -1.67344 7.03124 -1.67344 -34.8604 GPRESSAVG: 1824000 -9.00856 -61.0636 8.2478 -59.3872 47.0528 -1.02502 5.12322 -0.301877 -33.371 TIMING: 1824000 CPU: 5500.41, 0.00302578/step Wall: 5500.41, 0.00302578/step, 2.66941 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: 1824000 763.9537 2072.0656 1907.9434 105.0031 -206364.6194 17759.5370 0.0000 0.0000 34411.8279 -149344.2885 300.5271 -183756.1164 -149245.8452 299.0407 30.3907 64.3348 555446.6531 1.5975 1.5578 PRESSURE: 1824200 -92.173 -39.7192 -24.9032 -39.72 56.471 -116.703 -24.9031 -116.703 100.391 GPRESSURE: 1824200 -38.5027 -14.1844 -67.5996 -68.6816 103.032 -99.2086 9.39697 -108.297 100.342 PRESSAVG: 1824200 26.8695 0.205549 22.9554 0.205511 56.3762 -29.854 22.9554 -29.8538 -64.5447 GPRESSAVG: 1824200 28.0043 1.21548 21.4584 0.186061 56.4853 -30.3117 22.9772 -33.2305 -65.406 TIMING: 1824200 CPU: 5501.01, 0.00300729/step Wall: 5501.01, 0.00300729/step, 2.65293 hours remaining, 209.261719 MB of memory in use. ENERGY: 1824200 755.1186 2044.2943 1930.6399 119.7717 -206161.8861 17791.1098 0.0000 0.0000 34358.6103 -149162.3416 300.0623 -183520.9519 -149061.8027 299.6918 21.5628 54.9571 555396.3649 6.2337 6.3612 LDB: ============= START OF LOAD BALANCING ============== 5504.53 LDB: ============== END OF LOAD BALANCING =============== 5504.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5504.53 LDB: ============= START OF LOAD BALANCING ============== 5504.83 LDB: Largest compute 4800 load 0.029786 is 25.2% of average load 0.118043 LDB: Average compute 0.001730 is 1.5% of average load 0.118043 LDB: TIME 5504.83 LOAD: AVG 0.118043 MAX 0.211762 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.527 MB LDB: TIME 5504.83 LOAD: AVG 0.118043 MAX 0.211762 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.594 MB LDB: TIME 5504.83 LOAD: AVG 0.118043 MAX 0.211762 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.594 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5504.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5504.84 PRESSURE: 1824400 338.092 70.9209 131.001 70.9201 188.076 -136.209 131.001 -136.209 169.587 GPRESSURE: 1824400 352.258 40.6137 235.343 82.9529 246.113 -94.7683 64.812 -134.763 199.746 PRESSAVG: 1824400 -36.6827 17.0176 41.0757 17.0176 28.9677 2.13635 41.0757 2.13639 10.3166 GPRESSAVG: 1824400 -38.8969 17.0536 42.5219 19.2056 29.0287 3.39226 42.5651 1.06916 12.3968 TIMING: 1824400 CPU: 5501.62, 0.00306288/step Wall: 5501.62, 0.00306288/step, 2.7018 hours remaining, 207.289062 MB of memory in use. ENERGY: 1824400 733.1605 2102.5729 1911.5556 109.6720 -206752.9478 18192.8169 0.0000 0.0000 34345.2043 -149357.9655 299.9452 -183703.1698 -149260.4346 300.4454 231.9183 266.0392 556296.7918 0.8672 0.8429 PRESSURE: 1824600 -0.19819 5.69958 -0.552598 5.70017 -375.908 110.641 -0.553553 110.642 2.10727 GPRESSURE: 1824600 59.3326 109.439 13.1273 -41.4105 -370.965 93.3192 -89.682 101.922 45.3821 PRESSAVG: 1824600 24.0813 -0.0942335 6.91905 -0.094216 -32.9835 0.373032 6.9191 0.373038 32.7375 GPRESSAVG: 1824600 24.8453 0.657198 5.66729 0.72086 -32.2616 0.423766 6.01615 1.57592 31.1013 TIMING: 1824600 CPU: 5502.23, 0.00303375/step Wall: 5502.23, 0.00303375/step, 2.67593 hours remaining, 207.359375 MB of memory in use. ENERGY: 1824600 733.9285 2079.1696 1919.0382 102.3107 -206333.1606 17651.1585 0.0000 0.0000 34419.6925 -149427.8625 300.5957 -183847.5550 -149320.7327 299.8117 -124.6662 -88.7501 556185.3079 7.9451 7.8950 PRESSURE: 1824800 -132.061 180.773 -17.8784 180.774 103.224 64.8513 -17.8774 64.8519 7.89077 GPRESSURE: 1824800 -78.1223 186.982 5.47226 213.238 114.209 128.564 7.61056 -40.4093 41.2684 PRESSAVG: 1824800 -20.2456 1.19191 -37.4687 1.19198 -44.0956 -28.1522 -37.4687 -28.1521 47.7754 GPRESSAVG: 1824800 -20.2699 2.08777 -37.4763 -0.502596 -43.9537 -24.9006 -35.6995 -30.2221 47.8574 TIMING: 1824800 CPU: 5502.83, 0.00302529/step Wall: 5502.83, 0.00302529/step, 2.66831 hours remaining, 207.359375 MB of memory in use. ENERGY: 1824800 719.7783 2090.7482 1934.1056 112.0875 -206370.3825 17798.8425 0.0000 0.0000 34319.2546 -149395.5658 299.7186 -183714.8204 -149288.2727 299.4140 -6.9822 25.7849 556108.2562 -5.5220 -5.4554 PRESSURE: 1825000 14.716 75.5399 -2.69934 75.5396 57.829 -135.981 -2.70085 -135.979 224.237 GPRESSURE: 1825000 96.4923 47.1603 25.3564 109.471 83.0735 -106.095 5.09179 -144.796 205.663 PRESSAVG: 1825000 29.9385 29.6842 -4.53492 29.6842 -53.6216 -40.7422 -4.53492 -40.7423 4.71288 GPRESSAVG: 1825000 30.4056 28.8746 -4.67527 29.7669 -54.2982 -44.2732 -5.97947 -40.2089 5.00662 TIMING: 1825000 CPU: 5503.44, 0.0030213/step Wall: 5503.44, 0.0030213/step, 2.66462 hours remaining, 207.359375 MB of memory in use. ENERGY: 1825000 761.5236 2070.1481 1935.4925 117.3613 -206427.6271 17887.9748 0.0000 0.0000 34182.0720 -149473.0549 298.5205 -183655.1269 -149380.7161 298.9381 98.9272 128.4097 556263.9176 -6.3234 -6.2953 PRESSURE: 1825200 388.972 -100.559 48.4438 -100.559 55.5114 217.563 48.4442 217.563 236.921 GPRESSURE: 1825200 538.965 -47.8883 129.485 -31.5492 22.2847 237.989 -0.833368 168.354 230.431 PRESSAVG: 1825200 62.7097 23.5931 35.9296 23.593 -2.94871 -6.40456 35.9296 -6.40456 -37.5817 GPRESSAVG: 1825200 62.7286 24.872 36.1458 22.5006 -2.37986 -5.54743 35.4681 -4.59926 -38.287 TIMING: 1825200 CPU: 5504.04, 0.00299363/step Wall: 5504.04, 0.00299363/step, 2.64005 hours remaining, 207.359375 MB of memory in use. ENERGY: 1825200 730.8590 2082.9385 1918.4777 110.1508 -207025.1092 18158.2628 0.0000 0.0000 34497.1059 -149527.3145 301.2718 -184024.4203 -149430.2410 299.1354 227.1345 263.8937 554522.5980 7.3931 7.3539 PRESSURE: 1825400 -356.698 148.259 200.269 148.259 -48.4857 -154.798 200.269 -154.799 -43.0308 GPRESSURE: 1825400 -327.198 80.6268 191.73 136.473 23.3877 -75.5161 243.532 -143.539 -44.147 PRESSAVG: 1825400 40.9703 -19.8192 20.0665 -19.8193 -71.4419 -44.1447 20.0664 -44.1448 33.5229 GPRESSAVG: 1825400 40.378 -19.7019 19.9129 -20.7276 -70.3487 -42.3036 20.9796 -44.9295 32.7222 TIMING: 1825400 CPU: 5504.64, 0.00301451/step Wall: 5504.64, 0.00301451/step, 2.65829 hours remaining, 207.359375 MB of memory in use. ENERGY: 1825400 727.6274 2116.4764 1940.9470 117.5572 -205989.6521 17420.5615 0.0000 0.0000 34112.7464 -149553.7361 297.9151 -183666.4825 -149454.7168 299.1738 -149.4049 -115.9856 557270.4770 1.0171 0.9171 PRESSURE: 1825600 -156.014 62.1755 23.2919 62.1751 105.493 214.39 23.2918 214.389 -64.6691 GPRESSURE: 1825600 -109.724 70.8213 -4.94713 102.606 93.676 137.623 58.9749 279.396 -4.84271 PRESSAVG: 1825600 34.298 35.9508 -2.49337 35.9508 -0.102221 25.7007 -2.49346 25.7007 -21.5211 GPRESSAVG: 1825600 34.9113 34.5445 1.08767 37.8324 -1.05214 22.1835 -4.02914 26.8025 -21.452 TIMING: 1825600 CPU: 5505.24, 0.00301066/step Wall: 5505.24, 0.00301066/step, 2.65473 hours remaining, 207.359375 MB of memory in use. ENERGY: 1825600 748.7121 2119.2714 1927.2407 121.2063 -206608.3444 17870.6389 0.0000 0.0000 34349.2612 -149472.0137 299.9806 -183821.2749 -149368.2618 298.9016 -38.3965 -6.9634 557599.8772 4.2249 4.1357 PRESSURE: 1825800 -19.8198 -40.5772 138.164 -40.5766 116.19 -66.3525 138.163 -66.3522 -40.0905 GPRESSURE: 1825800 15.5591 -62.0251 203.234 -63.0933 111.569 -110.133 82.4546 5.67996 30.089 PRESSAVG: 1825800 3.2542 -23.7951 42.9182 -23.795 -42.8886 -14.9485 42.918 -14.9485 18.0725 GPRESSAVG: 1825800 2.17685 -23.4258 41.2413 -24.46 -43.5478 -11.2168 42.4733 -15.0674 19.8512 TIMING: 1825800 CPU: 5505.84, 0.00300116/step Wall: 5505.84, 0.00300116/step, 2.64619 hours remaining, 207.359375 MB of memory in use. ENERGY: 1825800 748.4871 2097.5564 1924.4813 112.5074 -206302.7870 17953.6847 0.0000 0.0000 34151.7398 -149314.3303 298.2556 -183466.0701 -149216.6035 298.4512 18.7598 52.4056 557921.2332 -7.1873 -7.1733 PRESSURE: 1826000 -39.4762 16.4722 142.216 16.4718 -243.497 -57.1064 142.215 -57.106 14.9739 GPRESSURE: 1826000 9.77031 104.196 188.593 -6.03269 -186.778 -34.3114 213.97 -154.654 -0.425201 PRESSAVG: 1826000 -62.6932 -13.1425 4.69033 -13.1424 1.24578 -17.503 4.69038 -17.503 48.0454 GPRESSAVG: 1826000 -61.8872 -12.8738 3.03822 -12.9056 2.75853 -21.0388 6.00352 -19.1999 46.3798 TIMING: 1826000 CPU: 5506.45, 0.00302341/step Wall: 5506.45, 0.00302341/step, 2.66564 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: 1826000 713.6160 2121.2520 1930.6282 122.8547 -206369.8138 17816.5235 0.0000 0.0000 34268.6830 -149396.2564 299.2769 -183664.9394 -149298.9797 298.7200 -89.3333 -59.1443 559051.0739 -4.4673 -4.2496 PRESSURE: 1826200 -99.4431 170.417 13.5844 170.417 -23.4558 -121.443 13.5838 -121.444 66.4941 GPRESSURE: 1826200 -66.6693 153.222 -62.6838 58.7235 32.0538 -43.5247 51.8648 -215.298 74.4386 PRESSAVG: 1826200 12.4412 -13.6082 -7.2196 -13.6083 21.8415 -54.2586 -7.21958 -54.2586 16.873 GPRESSAVG: 1826200 12.377 -14.5336 -7.40969 -13.9221 21.1218 -52.1349 -5.25931 -53.9864 18.0786 TIMING: 1826200 CPU: 5507.05, 0.00300079/step Wall: 5507.05, 0.00300079/step, 2.64553 hours remaining, 207.359375 MB of memory in use. ENERGY: 1826200 705.3010 2107.5787 1931.9535 106.8217 -206164.8557 17696.2704 0.0000 0.0000 34329.5563 -149287.3741 299.8086 -183616.9304 -149184.7526 299.1216 -18.8016 13.2744 558607.3268 17.0519 17.1925 PRESSURE: 1826400 17.5378 192.547 127.072 192.547 -25.9705 85.5602 127.071 85.5596 -442.569 GPRESSURE: 1826400 34.1021 173.82 200.163 125.471 10.0801 148.224 98.784 153.263 -399.626 PRESSAVG: 1826400 -17.5113 34.4372 19.3009 34.4372 34.7182 15.3353 19.3009 15.3354 13.1595 GPRESSAVG: 1826400 -17.2468 36.8983 20.2409 33.5071 34.0292 15.2922 16.4912 16.0209 13.6179 TIMING: 1826400 CPU: 5507.66, 0.00304586/step Wall: 5507.66, 0.00304586/step, 2.6851 hours remaining, 207.359375 MB of memory in use. ENERGY: 1826400 753.2437 2016.3322 1914.4803 99.7270 -205907.0334 17446.9147 0.0000 0.0000 34367.4223 -149308.9133 300.1392 -183676.3356 -149205.9583 299.6192 -150.3338 -118.4812 558040.5652 10.1221 10.1335 PRESSURE: 1826600 -113.035 -107.634 32.1496 -107.635 204.548 -79.9426 32.1516 -79.9417 176.761 GPRESSURE: 1826600 -85.2339 -119.639 65.6564 -184.956 228.482 -145.356 -9.06735 -55.002 213.021 PRESSAVG: 1826600 8.88635 -73.1978 17.0291 -73.1979 25.2286 22.1715 17.029 22.1714 -16.8677 GPRESSAVG: 1826600 8.5132 -76.0336 15.7093 -70.772 25.011 21.2424 16.7275 21.7308 -16.8351 TIMING: 1826600 CPU: 5508.27, 0.00307683/step Wall: 5508.27, 0.00307683/step, 2.71223 hours remaining, 207.359375 MB of memory in use. ENERGY: 1826600 773.4719 2037.5912 1914.4271 100.3720 -206472.3385 17984.6959 0.0000 0.0000 34409.4094 -149252.3711 300.5059 -183661.7805 -149159.1252 299.0493 89.4247 118.7563 557613.5133 5.7491 5.5630 PRESSURE: 1826800 -49.1443 -30.4901 -102.247 -30.4905 -169.985 95.2074 -102.247 95.2071 -123.917 GPRESSURE: 1826800 -14.8382 -86.0845 -115.031 2.65195 -172.024 39.3042 -64.3725 56.2597 -46.7328 PRESSAVG: 1826800 -12.6279 4.36914 37.7511 4.36901 -4.52353 40.1287 37.7511 40.1287 3.79832 GPRESSAVG: 1826800 -12.0705 5.24569 38.6367 3.93798 -4.32068 39.619 40.0455 42.6434 2.79202 TIMING: 1826800 CPU: 5508.88, 0.00302371/step Wall: 5508.88, 0.00302371/step, 2.66523 hours remaining, 207.359375 MB of memory in use. ENERGY: 1826800 791.0139 2068.9940 1912.3868 117.1496 -206164.8488 17732.4191 0.0000 0.0000 34200.8965 -149341.9889 298.6849 -183542.8854 -149236.8342 298.9788 -114.3487 -77.8651 557177.2441 -4.4511 -4.5331 PRESSURE: 1827000 -106.575 100.427 -116.595 100.427 150.407 -80.9327 -116.596 -80.933 101.442 GPRESSURE: 1827000 -97.2627 84.7118 -98.3612 58.6199 167.082 -77.3223 -199.459 -6.09259 157.997 PRESSAVG: 1827000 -28.5861 -42.0555 20.2592 -42.0555 -16.3376 -22.8966 20.2592 -22.8966 12.6486 GPRESSAVG: 1827000 -29.603 -41.7802 19.4504 -41.4557 -16.004 -22.0177 18.3466 -25.0907 12.6118 TIMING: 1827000 CPU: 5509.48, 0.00302893/step Wall: 5509.48, 0.00302893/step, 2.66967 hours remaining, 207.359375 MB of memory in use. ENERGY: 1827000 722.4399 2055.8257 1929.2254 105.8856 -206013.5600 17597.2598 0.0000 0.0000 34302.9367 -149299.9870 299.5761 -183602.9237 -149204.1072 298.9337 48.4247 75.9389 556283.1652 -10.7584 -10.9984 PRESSURE: 1827200 -170.66 -62.4634 151.307 -62.4632 -103.038 -80.6893 151.307 -80.6893 78.6432 GPRESSURE: 1827200 -115.509 -63.5791 76.0221 -138.713 -59.0191 -114.429 176.687 16.1366 84.1796 PRESSAVG: 1827200 41.48 -35.0259 3.00599 -35.0259 5.89068 -6.09972 3.00596 -6.0997 6.15807 GPRESSAVG: 1827200 40.9728 -36.5938 0.649692 -35.114 6.83028 -6.06809 4.43448 -6.31198 6.34008 TIMING: 1827200 CPU: 5510.08, 0.00300903/step Wall: 5510.08, 0.00300903/step, 2.65196 hours remaining, 207.429688 MB of memory in use. ENERGY: 1827200 744.3870 2138.8323 1939.1477 114.5250 -206497.5031 17816.0395 0.0000 0.0000 34310.9950 -149433.5765 299.6465 -183744.5716 -149341.6965 298.5815 -65.0181 -30.1161 556105.6295 17.8429 18.0477 PRESSURE: 1827400 226.832 24.7284 55.0793 24.7277 -38.2242 28.1478 55.0791 28.1476 25.1053 GPRESSURE: 1827400 223.371 -0.790399 13.344 -2.75504 1.8683 -42.8709 12.4721 94.2652 83.2669 PRESSAVG: 1827400 22.4286 -65.1744 25.9595 -65.1744 -56.3534 -42.3641 25.9595 -42.3642 28.4525 GPRESSAVG: 1827400 24.5745 -64.1197 27.0066 -66.6531 -58.4484 -44.1673 25.9069 -41.5439 28.2082 TIMING: 1827400 CPU: 5510.69, 0.00304076/step Wall: 5510.69, 0.00304076/step, 2.67975 hours remaining, 207.429688 MB of memory in use. ENERGY: 1827400 752.5528 2092.9190 1890.3422 116.2961 -206391.2494 17972.2616 0.0000 0.0000 34196.0562 -149370.8214 298.6427 -183566.8776 -149277.1731 298.9833 71.2377 102.8354 556807.4746 -1.8241 -1.8886 PRESSURE: 1827600 -200.304 66.743 -101.012 66.7446 -331.251 67.0708 -101.012 67.072 -305.865 GPRESSURE: 1827600 -180.836 -2.50241 -65.6813 63.4609 -294.595 70.5817 -173.039 19.9045 -271.685 PRESSAVG: 1827600 5.97416 -2.32493 -8.45784 -2.32481 4.23694 14.2777 -8.45784 14.2778 -14.2055 GPRESSAVG: 1827600 5.60263 -2.42793 -9.39218 -0.00677913 4.74213 13.1567 -8.4808 15.6651 -14.1364 TIMING: 1827600 CPU: 5511.3, 0.00302941/step Wall: 5511.3, 0.00302941/step, 2.66959 hours remaining, 207.429688 MB of memory in use. ENERGY: 1827600 752.9289 2116.9596 1926.6067 118.3995 -205830.8496 17398.8330 0.0000 0.0000 34181.2225 -149335.8996 298.5131 -183517.1220 -149237.7670 298.1519 -279.1401 -249.0386 559149.4782 -1.3315 -1.2639 PRESSURE: 1827800 -80.8229 67.6881 -7.61462 67.687 -154.948 37.2753 -7.61431 37.2754 -74.4276 GPRESSURE: 1827800 -65.0897 62.6193 -21.8678 47.7328 -97.7112 78.1979 25.8743 -35.1228 -35.0215 PRESSAVG: 1827800 -12.651 29.1367 41.338 29.1367 39.5187 -2.16878 41.3379 -2.16887 -5.93212 GPRESSAVG: 1827800 -13.4128 31.4595 42.3035 28.868 40.6322 -0.233838 41.238 -4.29761 -5.64997 TIMING: 1827800 CPU: 5511.9, 0.00301861/step Wall: 5511.9, 0.00301861/step, 2.6599 hours remaining, 207.429688 MB of memory in use. ENERGY: 1827800 720.0970 2046.8699 1911.9963 99.4968 -206319.8558 17759.8401 0.0000 0.0000 34306.1857 -149475.3700 299.6045 -183781.5556 -149378.3792 298.4093 -103.3994 -65.9408 556283.6426 6.9785 7.1898 PRESSURE: 1828000 -260.14 7.10126 33.8721 7.10234 83.6502 -83.8086 33.8709 -83.8101 75.9664 GPRESSURE: 1828000 -144.501 7.05828 54.9352 52.0136 52.5157 -102.973 77.3242 -10.9829 83.6271 PRESSAVG: 1828000 -44.3251 16.3093 18.8285 16.3093 -0.11019 4.9014 18.8287 4.90139 32.7217 GPRESSAVG: 1828000 -44.361 14.5917 18.1589 18.3053 -0.226727 2.71478 18.9347 6.28728 32.6401 TIMING: 1828000 CPU: 5512.51, 0.00303125/step Wall: 5512.51, 0.00303125/step, 2.67087 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: 1828000 736.1823 2135.2088 1930.5128 106.6442 -205932.0706 17590.2889 0.0000 0.0000 33890.0247 -149543.2089 295.9700 -183433.2336 -149451.3194 298.4072 -33.5078 -2.7862 558233.9317 -3.9045 -3.9826 PRESSURE: 1828200 4.5802 73.2948 -66.4428 73.2959 -195.697 -169.155 -66.4432 -169.156 -66.968 GPRESSURE: 1828200 1.48349 57.5094 -31.6272 13.7797 -127.741 -222.517 41.2766 -129.701 -34.6876 PRESSAVG: 1828200 -41.0523 -14.037 27.1906 -14.037 48.2449 25.5412 27.1908 25.5413 -0.0892414 GPRESSAVG: 1828200 -40.416 -17.0381 28.4263 -14.7278 48.389 26.0075 23.0817 24.4515 -0.0622311 TIMING: 1828200 CPU: 5513.11, 0.00302065/step Wall: 5513.11, 0.00302065/step, 2.66136 hours remaining, 207.429688 MB of memory in use. ENERGY: 1828200 714.1685 2107.9986 1912.3123 109.7805 -206133.3570 17793.2016 0.0000 0.0000 34092.7691 -149403.1263 297.7406 -183495.8954 -149312.9625 298.7326 -86.0282 -53.6484 559106.0244 2.3678 2.6369 LDB: ============= START OF LOAD BALANCING ============== 5516.63 LDB: ============== END OF LOAD BALANCING =============== 5516.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5516.63 LDB: ============= START OF LOAD BALANCING ============== 5516.93 LDB: Largest compute 4800 load 0.031028 is 26.3% of average load 0.118050 LDB: Average compute 0.001724 is 1.5% of average load 0.118050 LDB: TIME 5516.93 LOAD: AVG 0.11805 MAX 0.20906 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.441 MB LDB: TIME 5516.93 LOAD: AVG 0.11805 MAX 0.20906 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.441 MB LDB: TIME 5516.93 LOAD: AVG 0.11805 MAX 0.20906 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.441 MB LDB: ============== END OF LOAD BALANCING =============== 5516.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5516.94 PRESSURE: 1828400 76.8599 -114.146 25.9515 -114.147 -231.103 149.163 25.952 149.163 -138.265 GPRESSURE: 1828400 102.574 -128.173 -82.899 -89.6013 -130.53 128.145 92.6633 119.769 -146.521 PRESSAVG: 1828400 16.8992 6.33459 18.4717 6.33466 -82.8501 16.3823 18.4718 16.3822 31.9839 GPRESSAVG: 1828400 17.0289 8.05189 16.9938 6.55866 -82.1323 16.9996 21.838 16.7253 31.5922 TIMING: 1828400 CPU: 5513.72, 0.00304401/step Wall: 5513.72, 0.00304401/step, 2.68177 hours remaining, 207.101562 MB of memory in use. ENERGY: 1828400 753.1856 2028.1444 1960.5215 113.0193 -206150.8885 17646.8560 0.0000 0.0000 34339.8370 -149309.3247 299.8983 -183649.1617 -149212.7251 298.4777 -97.5027 -58.1592 558761.2524 -11.3223 -11.1704 PRESSURE: 1828600 -42.3398 -121.982 -127.171 -121.982 -29.4903 116.747 -127.171 116.746 -186.622 GPRESSURE: 1828600 -27.3617 -84.6725 12.6627 -94.8855 27.9122 20.9705 -101.678 135.101 -152.473 PRESSAVG: 1828600 40.4833 -3.30249 26.2539 -3.30245 -35.8939 2.7933 26.2538 2.79336 -15.864 GPRESSAVG: 1828600 39.8785 -2.14738 25.1051 -4.63843 -35.5628 1.27921 27.8727 3.5878 -15.1139 TIMING: 1828600 CPU: 5514.32, 0.00301329/step Wall: 5514.32, 0.00301329/step, 2.65454 hours remaining, 207.304688 MB of memory in use. ENERGY: 1828600 763.5938 2074.3985 1930.6699 98.3668 -205891.6739 17609.5505 0.0000 0.0000 34158.1819 -149256.9124 298.3119 -183415.0943 -149164.1816 299.1233 -86.1506 -50.6408 557881.5180 -3.7582 -3.5994 PRESSURE: 1828800 -148.417 27.2247 6.77084 27.2239 3.91233 179.831 6.77058 179.83 112.191 GPRESSURE: 1828800 -148.553 88.127 38.3331 -28.1048 53.2569 152.407 -17.6776 173 165.358 PRESSAVG: 1828800 62.3993 -8.10667 19.8247 -8.1066 38.6434 7.41686 19.8246 7.41698 -35.0085 GPRESSAVG: 1828800 62.7061 -7.02238 22.7347 -8.69845 39.3569 10.4201 16.0153 6.87045 -36.0095 TIMING: 1828800 CPU: 5514.93, 0.0030132/step Wall: 5514.93, 0.00301321/step, 2.6543 hours remaining, 207.304688 MB of memory in use. ENERGY: 1828800 738.8766 2051.3030 1910.3330 116.7843 -206390.9866 17930.5317 0.0000 0.0000 34388.2710 -149254.8869 300.3213 -183643.1580 -149153.9608 298.8060 -10.7713 23.3540 557559.9420 22.0114 22.0178 PRESSURE: 1829000 -269.253 14.7337 165.585 14.7353 169.855 -132.506 165.585 -132.507 -289.018 GPRESSURE: 1829000 -189.612 -41.9572 179.669 -2.71328 138.602 -107.315 58.7993 -133.254 -239.093 PRESSAVG: 1829000 -23.6484 -14.877 7.28118 -14.877 -42.3907 10.0153 7.28119 10.0153 34.8542 GPRESSAVG: 1829000 -22.9143 -14.9087 6.68428 -13.6744 -44.4377 9.01612 8.80578 11.5996 36.3118 TIMING: 1829000 CPU: 5515.53, 0.00301821/step Wall: 5515.53, 0.00301821/step, 2.65854 hours remaining, 207.304688 MB of memory in use. ENERGY: 1829000 762.8678 2047.3654 1906.7442 113.4906 -206212.1430 17634.2512 0.0000 0.0000 34287.9707 -149459.4530 299.4454 -183747.4238 -149367.2859 298.9552 -129.4719 -96.7008 558206.4393 -10.3950 -10.3467 PRESSURE: 1829200 196.596 55.4133 68.1841 55.4119 -256.111 -113.835 68.1856 -113.837 183.989 GPRESSURE: 1829200 166.14 118.86 47.7284 -24.7644 -234.513 -216.26 -12.9993 51.511 278.932 PRESSAVG: 1829200 4.88901 13.7294 26.0433 13.7295 21.1316 -29.0348 26.0431 -29.0348 -60.7738 GPRESSAVG: 1829200 3.55048 11.6941 26.4819 12.6736 22.7527 -27.3657 24.9816 -31.0899 -61.617 TIMING: 1829200 CPU: 5516.13, 0.00302382/step Wall: 5516.13, 0.00302382/step, 2.66332 hours remaining, 207.304688 MB of memory in use. ENERGY: 1829200 739.8792 2144.2488 1913.5850 110.1664 -206338.7842 17822.9916 0.0000 0.0000 34098.4207 -149509.4926 297.7900 -183607.9133 -149414.9705 298.4388 41.4912 70.1864 558524.2882 -11.5844 -11.7713 PRESSURE: 1829400 -83.9703 -76.5674 -135.768 -76.5677 76.3522 14.5329 -135.769 14.5319 -11.3876 GPRESSURE: 1829400 -6.7893 -42.6215 -59.4461 -31.7579 122.395 39.1215 -140.154 40.4757 -39.7026 PRESSAVG: 1829400 83.3093 -21.0288 6.02231 -21.0287 -34.0716 53.8891 6.02227 53.8891 -39.9156 GPRESSAVG: 1829400 84.0565 -20.0605 6.10211 -19.489 -34.5785 53.8517 6.33179 53.6796 -39.2511 TIMING: 1829400 CPU: 5516.74, 0.00303053/step Wall: 5516.74, 0.00303053/step, 2.66906 hours remaining, 207.304688 MB of memory in use. ENERGY: 1829400 751.5160 2035.5196 1946.1350 106.7433 -206497.3464 17981.8007 0.0000 0.0000 34080.1337 -149595.4981 297.6303 -183675.6318 -149492.0862 298.0416 -6.3352 25.3009 557356.3970 3.1074 3.4090 PRESSURE: 1829600 34.1193 -96.5452 -25.436 -96.5452 148.537 2.62983 -25.436 2.62947 29.6914 GPRESSURE: 1829600 39.3314 -68.4735 -3.70622 -128.341 246.2 -74.4148 -36.04 26.6576 26.9708 PRESSAVG: 1829600 7.55153 -26.7835 31.3053 -26.7835 -12.7615 26.5649 31.3053 26.5647 36.5958 GPRESSAVG: 1829600 8.10528 -26.6567 29.0974 -26.0912 -13.4931 24.0256 33.7568 28.9402 36.6182 TIMING: 1829600 CPU: 5517.34, 0.00300021/step Wall: 5517.34, 0.00300021/step, 2.64219 hours remaining, 207.304688 MB of memory in use. ENERGY: 1829600 769.6201 2034.8251 1931.3998 114.9743 -206696.7389 18127.0641 0.0000 0.0000 34134.9032 -149583.9523 298.1086 -183718.8554 -149490.8775 297.8913 70.7827 104.1674 556806.0479 10.4620 10.4102 PRESSURE: 1829800 -62.7941 -152.509 -79.9486 -152.508 -265.122 66.9536 -79.948 66.9543 -140.82 GPRESSURE: 1829800 -31.1892 -160.116 -84.7111 -133.846 -240.95 114.576 -44.8237 73.6817 -107.921 PRESSAVG: 1829800 -1.95095 -41.6427 10.7332 -41.6427 18.5563 66.127 10.7332 66.1269 -23.6457 GPRESSAVG: 1829800 -1.52539 -41.5844 12.4416 -42.2788 18.7199 67.3042 8.06744 64.9417 -24.4419 TIMING: 1829800 CPU: 5517.94, 0.00299541/step Wall: 5517.94, 0.00299541/step, 2.63779 hours remaining, 207.304688 MB of memory in use. ENERGY: 1829800 776.0750 2072.3996 1933.8562 114.3025 -206086.4633 17529.8742 0.0000 0.0000 34237.1257 -149422.8301 299.0013 -183659.9558 -149332.6365 298.7911 -156.2454 -126.6867 558115.1406 -2.3468 -2.4158 PRESSURE: 1830000 -91.4594 -119.604 108.471 -119.604 -154.622 -269.103 108.47 -269.105 80.1723 GPRESSURE: 1830000 -83.4952 -79.3213 95.5276 -48.592 -110.004 -186.969 166.155 -250.864 113.992 PRESSAVG: 1830000 -1.07397 -16.6027 91.845 -16.6027 -15.6849 6.70012 91.8449 6.70009 22.8734 GPRESSAVG: 1830000 -1.57296 -17.4704 91.8409 -18.2571 -16.0453 5.37511 91.8272 6.51935 23.4099 TIMING: 1830000 CPU: 5518.54, 0.00299796/step Wall: 5518.54, 0.00299796/step, 2.63987 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: 1830000 758.1971 2137.9614 1937.5324 109.4218 -206204.3419 17697.2813 0.0000 0.0000 34264.2140 -149299.7339 299.2379 -183563.9479 -149209.4369 299.9010 -55.3029 -26.5023 557848.1823 2.0382 1.9305 PRESSURE: 1830200 -445.709 83.9325 -109.448 83.9329 -196.169 55.8033 -109.447 55.8053 -186.474 GPRESSURE: 1830200 -414.897 165.95 -122.53 22.6015 -111.649 105.066 -96.5705 32.7235 -198.323 PRESSAVG: 1830200 -5.65725 -18.2232 11.8494 -18.2232 8.18045 12.4047 11.8493 12.4047 13.1228 GPRESSAVG: 1830200 -5.90518 -16.0218 11.0603 -17.4073 9.26218 12.5816 11.7557 14.851 12.6726 TIMING: 1830200 CPU: 5519.14, 0.00298316/step Wall: 5519.14, 0.00298316/step, 2.62667 hours remaining, 207.304688 MB of memory in use. ENERGY: 1830200 751.9727 2125.8009 1925.0340 111.4521 -205963.8140 17392.9972 0.0000 0.0000 34209.9937 -149446.5634 298.7644 -183656.5571 -149348.6420 299.3626 -276.1176 -241.6229 556771.2732 5.2153 5.3432 PRESSURE: 1830400 -55.6905 -49.1496 -0.956913 -49.1503 152.783 45.832 -0.957093 45.8314 -176.58 GPRESSURE: 1830400 -25.6003 4.3684 48.1673 -43.4022 181.856 -46.0992 70.929 85.225 -140.052 PRESSAVG: 1830400 -31.2426 13.6199 -24.4088 13.6199 25.9669 -9.41078 -24.4088 -9.41075 18.9707 GPRESSAVG: 1830400 -31.2117 10.3557 -23.1852 13.8958 25.7845 -7.10097 -25.1807 -11.923 18.7973 TIMING: 1830400 CPU: 5519.74, 0.00300363/step Wall: 5519.74, 0.00300363/step, 2.64453 hours remaining, 207.304688 MB of memory in use. ENERGY: 1830400 763.8521 2081.5035 1946.3395 107.3000 -205961.6081 17603.6123 0.0000 0.0000 34065.4330 -149393.5676 297.5019 -183459.0007 -149299.2873 299.1448 -26.4959 5.4012 556382.7976 4.5650 4.4567 PRESSURE: 1830600 -202.97 -4.78023 37.4163 -4.77828 -146.516 -197.274 37.4156 -197.274 66.2444 GPRESSURE: 1830600 -173.024 -26.6384 -35.8938 -21.5195 -113.21 -199.956 83.6746 -148.801 98.0826 PRESSAVG: 1830600 41.9429 7.57227 -5.30856 7.57219 -11.5091 -14.8922 -5.30861 -14.8922 1.68447 GPRESSAVG: 1830600 41.9725 9.05533 -4.81443 5.96721 -12.2685 -16.0149 -4.29637 -15.0703 2.44381 TIMING: 1830600 CPU: 5520.34, 0.00303078/step Wall: 5520.34, 0.00303078/step, 2.66827 hours remaining, 207.304688 MB of memory in use. ENERGY: 1830600 743.4989 2067.9398 1919.1890 109.4294 -206233.3037 17658.2128 0.0000 0.0000 34343.9314 -149391.1024 299.9341 -183735.0338 -149294.7641 299.0719 -94.4140 -62.7169 557208.3449 10.7061 10.7159 PRESSURE: 1830800 -20.5251 -33.6263 101.137 -33.625 -24.2795 -29.0957 101.136 -29.0949 125.952 GPRESSURE: 1830800 70.0554 73.996 18.4145 -2.44649 65.153 -17.5575 100.642 20.809 45.8292 PRESSAVG: 1830800 -35.5502 -11.6287 15.9066 -11.6287 -23.9001 -34.217 15.9065 -34.217 25.6509 GPRESSAVG: 1830800 -35.1544 -13.0341 14.3398 -10.0255 -22.9788 -35.7715 17.7102 -33.0159 24.4682 TIMING: 1830800 CPU: 5520.95, 0.00303447/step Wall: 5520.95, 0.00303447/step, 2.67134 hours remaining, 207.304688 MB of memory in use. ENERGY: 1830800 770.3875 2065.3384 1926.1084 95.1094 -206385.7002 17951.3097 0.0000 0.0000 34122.3383 -149455.1086 297.9989 -183577.4469 -149362.9335 298.9415 27.0492 60.3459 555867.2339 -11.2665 -11.2216 PRESSURE: 1831000 53.0837 15.5392 -52.6342 15.5392 -93.9552 -113.504 -52.6348 -113.502 -39.1004 GPRESSURE: 1831000 48.0276 -122.364 -37.6707 2.86996 -74.5774 -209.998 39.6892 -25.7886 32.0656 PRESSAVG: 1831000 30.4042 45.7976 28.3798 45.7977 -42.643 14.0603 28.3797 14.0602 49.6743 GPRESSAVG: 1831000 28.9441 46.2508 26.4643 45.8846 -43.3218 15.5571 26.3471 13.7316 51.4967 TIMING: 1831000 CPU: 5521.56, 0.0030296/step Wall: 5521.56, 0.0030296/step, 2.66689 hours remaining, 207.304688 MB of memory in use. ENERGY: 1831000 760.8583 2066.2877 1933.0176 107.4691 -206234.7420 17780.0208 0.0000 0.0000 34308.5880 -149278.5006 299.6254 -183587.0885 -149181.4790 299.1720 -26.6573 1.8386 557347.9486 12.4785 12.3730 PRESSURE: 1831200 76.0132 -160.079 0.739455 -160.078 8.0837 76.4448 0.739578 76.4456 152.762 GPRESSURE: 1831200 140.26 -116.093 2.38427 -124.798 48.0769 4.63478 -56.6473 62.5357 151.859 PRESSAVG: 1831200 -8.10216 1.21991 -15.6275 1.21982 -91.7589 1.62895 -15.6275 1.62897 60.3168 GPRESSAVG: 1831200 -8.46498 2.11616 -14.1185 2.09468 -90.7288 0.834993 -14.9909 1.89001 59.7936 TIMING: 1831200 CPU: 5522.16, 0.00300289/step Wall: 5522.16, 0.00300289/step, 2.64321 hours remaining, 207.304688 MB of memory in use. ENERGY: 1831200 753.5806 2088.7397 1916.5480 103.8826 -206441.0485 18033.3530 0.0000 0.0000 34326.7612 -149218.1834 299.7841 -183544.9447 -149128.8624 299.4401 78.9530 113.3986 558389.6028 -13.1814 -13.1334 PRESSURE: 1831400 3.30484 24.4888 -36.2231 24.4896 20.5685 -52.482 -36.2234 -52.4833 50.5289 GPRESSURE: 1831400 51.3001 49.9043 -124.604 46.8866 12.9168 -84.2831 -48.812 84.3099 97.8169 PRESSAVG: 1831400 30.7711 -13.3736 -8.16169 -13.3736 -22.8584 17.3669 -8.16166 17.3669 14.1996 GPRESSAVG: 1831400 31.7212 -12.8251 -9.3179 -13.6125 -23.6916 20.3128 -8.48383 16.7947 13.4486 TIMING: 1831400 CPU: 5522.76, 0.00300623/step Wall: 5522.76, 0.00300623/step, 2.64598 hours remaining, 207.304688 MB of memory in use. ENERGY: 1831400 741.9921 2018.5798 1910.5736 118.6005 -206278.5004 17946.6666 0.0000 0.0000 34433.4389 -149108.6490 300.7158 -183542.0878 -149010.5266 300.0170 24.8008 54.0113 558090.6407 7.3708 7.1594 PRESSURE: 1831600 -169.508 169.089 -117.344 169.087 -124.355 -188.698 -117.344 -188.698 27.262 GPRESSURE: 1831600 -109.621 150.443 -244.669 272.244 -141.407 -214.232 -2.50229 -164.855 73.275 PRESSAVG: 1831600 12.8854 -31.6634 -40.0842 -31.6634 -36.5299 -40.9557 -40.0843 -40.9557 -0.606438 GPRESSAVG: 1831600 13.0229 -33.6262 -40.2124 -30.1647 -37.0886 -42.2732 -39.301 -41.2053 -0.318824 TIMING: 1831600 CPU: 5523.36, 0.00301913/step Wall: 5523.36, 0.00301913/step, 2.65717 hours remaining, 207.304688 MB of memory in use. ENERGY: 1831600 754.1129 2114.5487 1928.7651 135.1033 -205811.2233 17663.2821 0.0000 0.0000 34217.9921 -148997.4191 298.8342 -183215.4113 -148905.4629 300.2980 -88.8673 -59.2510 557870.4334 -8.0837 -8.1282 PRESSURE: 1831800 -362.449 6.86637 -0.10129 6.86584 -17.8151 -176.76 -0.101315 -176.759 -265.695 GPRESSURE: 1831800 -314.917 118.926 -8.98321 -59.0526 2.32484 -241.325 -86.4069 -144.638 -244.505 PRESSAVG: 1831800 46.3087 2.25455 -12.3212 2.25465 -55.9548 -53.1474 -12.3212 -53.1474 24.7552 GPRESSAVG: 1831800 45.3168 5.20675 -9.57308 -1.1636 -55.7796 -53.2465 -15.2158 -51.9028 25.9268 TIMING: 1831800 CPU: 5523.96, 0.00301061/step Wall: 5523.96, 0.00301061/step, 2.64951 hours remaining, 207.304688 MB of memory in use. ENERGY: 1831800 723.7828 2098.2812 1927.1810 116.1685 -205718.6554 17407.5049 0.0000 0.0000 34329.7049 -149116.0321 299.8099 -183445.7370 -149015.5235 300.0094 -215.3197 -185.6988 557351.3404 5.0364 5.1547 PRESSURE: 1832000 -22.3322 104.31 -99.1441 104.311 171.421 -77.5904 -99.1432 -77.5904 24.8276 GPRESSURE: 1832000 22.0924 110.508 -52.5852 132.594 197.728 6.33614 -96.6224 -111.9 35.3102 PRESSAVG: 1832000 26.213 -17.7718 -33.9457 -17.7718 -12.978 -38.3346 -33.9457 -38.3346 17.4625 GPRESSAVG: 1832000 25.2093 -19.2384 -33.9465 -16.1554 -11.6786 -38.9324 -32.6912 -39.3226 17.0953 TIMING: 1832000 CPU: 5524.57, 0.00301797/step Wall: 5524.57, 0.00301797/step, 2.65581 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: 1832000 706.2969 2104.7443 1932.6568 125.7699 -206100.1452 17766.3819 0.0000 0.0000 34367.4563 -149096.8391 300.1395 -183464.2953 -148997.6142 299.7445 57.9721 85.0434 557431.5440 10.2325 10.2087 PRESSURE: 1832200 -388.294 -57.0732 -174.351 -57.0732 -32.8395 83.5267 -174.352 83.5241 -117.3 GPRESSURE: 1832200 -326.19 33.156 -129.977 -93.9082 -46.5874 133.358 -191.608 -37.9848 -62.8569 PRESSAVG: 1832200 18.4773 -38.6304 -27.1892 -38.6305 36.0239 7.10642 -27.1891 7.10648 -34.089 GPRESSAVG: 1832200 20.8771 -37.4634 -27.776 -39.1867 36.2118 9.30768 -26.7647 5.94279 -36.4549 TIMING: 1832200 CPU: 5525.17, 0.00302258/step Wall: 5525.17, 0.00302258/step, 2.65971 hours remaining, 207.304688 MB of memory in use. ENERGY: 1832200 756.0054 2113.1960 1907.0753 111.7114 -205386.3762 17399.7279 0.0000 0.0000 34245.1554 -148853.5047 299.0715 -183098.6601 -148760.8474 300.3017 -179.4777 -145.2113 557131.7232 6.8040 6.8780 LDB: ============= START OF LOAD BALANCING ============== 5528.69 LDB: ============== END OF LOAD BALANCING =============== 5528.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5528.69 LDB: ============= START OF LOAD BALANCING ============== 5528.99 LDB: Largest compute 4800 load 0.030701 is 26.0% of average load 0.118078 LDB: Average compute 0.001725 is 1.5% of average load 0.118078 LDB: TIME 5529 LOAD: AVG 0.118078 MAX 0.210755 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.902 MB LDB: TIME 5529 LOAD: AVG 0.118078 MAX 0.210755 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.105 MB LDB: TIME 5529 LOAD: AVG 0.118078 MAX 0.210755 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.105 MB LDB: ============== END OF LOAD BALANCING =============== 5529 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5529 PRESSURE: 1832400 38.298 58.6151 -7.89743 58.6143 -17.0311 108.401 -7.89742 108.401 17.3358 GPRESSURE: 1832400 54.6644 10.5953 50.827 106.292 58.0023 79.8438 -113.633 165.795 36.6887 PRESSAVG: 1832400 -59.7037 37.4426 3.27732 37.4426 118.557 51.4285 3.27725 51.4286 -16.5465 GPRESSAVG: 1832400 -60.5957 36.5431 2.67578 36.6579 117.5 49.374 1.96723 53.7062 -14.897 TIMING: 1832400 CPU: 5525.79, 0.00306795/step Wall: 5525.79, 0.00306795/step, 2.69945 hours remaining, 208.164062 MB of memory in use. ENERGY: 1832400 725.5267 2042.6280 1940.7793 122.0688 -205984.5284 17756.1906 0.0000 0.0000 34308.9804 -149088.3547 299.6289 -183397.3351 -148993.1967 299.4228 12.8676 49.7851 557175.9530 14.1023 14.0025 PRESSURE: 1832600 -43.8173 46.6388 -67.1714 46.6391 -85.9481 81.8119 -67.172 81.812 173.841 GPRESSURE: 1832600 8.24316 34.1614 -41.0445 36.8633 -90.7988 64.0549 -142.672 31.1654 224.085 PRESSAVG: 1832600 -22.2876 -5.22343 -6.23454 -5.22332 6.80175 18.3963 -6.23462 18.3963 -8.80711 GPRESSAVG: 1832600 -21.9893 -5.58676 -6.09565 -4.9001 6.90135 18.2515 -4.61991 18.0271 -9.45098 TIMING: 1832600 CPU: 5526.39, 0.00300897/step Wall: 5526.39, 0.00300897/step, 2.64739 hours remaining, 208.164062 MB of memory in use. ENERGY: 1832600 727.3688 2117.6196 1913.4688 112.4077 -205852.7193 17777.2473 0.0000 0.0000 34204.6687 -148999.9383 298.7179 -183204.6070 -148906.1817 299.3075 14.6918 47.1763 558895.5518 -8.0976 -8.1797 PRESSURE: 1832800 -1.11909 -69.9736 25.2255 -69.973 -63.3646 76.964 25.2242 76.9642 -2.22076 GPRESSURE: 1832800 -11.6569 -63.362 18.1368 -139.165 9.5611 75.2366 15.2807 53.8828 30.2941 PRESSAVG: 1832800 -41.5463 -73.0582 37.991 -73.0582 10.3967 0.0673923 37.991 0.0673835 37.4168 GPRESSAVG: 1832800 -41.9166 -72.661 35.4054 -72.8079 10.5508 1.12754 38.5946 -0.889241 37.8789 TIMING: 1832800 CPU: 5526.98, 0.00298987/step Wall: 5526.98, 0.00298987/step, 2.63042 hours remaining, 208.164062 MB of memory in use. ENERGY: 1832800 766.5585 2137.1266 1913.0244 100.9010 -205811.8698 17722.4973 0.0000 0.0000 34319.8875 -148851.8746 299.7241 -183171.7621 -148762.8359 300.0238 -22.2348 9.3994 558006.5779 2.0891 2.1710 PRESSURE: 1833000 61.7059 -74.2584 -22.7372 -74.2596 -229.603 142.387 -22.7376 142.386 -124.694 GPRESSURE: 1833000 83.351 -142.299 -65.5477 -54.6899 -233.517 156.605 -16.2561 123.221 -33.6546 PRESSAVG: 1833000 -15.3038 -88.9283 0.999716 -88.9282 -46.4225 3.73708 0.99971 3.737 40.9519 GPRESSAVG: 1833000 -14.7296 -89.1244 2.17495 -88.4807 -46.436 3.1131 0.959706 4.07885 40.1774 TIMING: 1833000 CPU: 5527.58, 0.00298591/step Wall: 5527.58, 0.00298591/step, 2.62677 hours remaining, 208.164062 MB of memory in use. ENERGY: 1833000 777.1794 2070.1128 1923.0205 107.0188 -205918.7422 17843.2873 0.0000 0.0000 34222.0694 -148976.0540 298.8698 -183198.1234 -148881.5827 300.3108 -97.5306 -61.2737 559003.6775 -6.9248 -6.9961 PRESSURE: 1833200 -126.839 47.3917 -176.131 47.3929 -8.4486 -32.9341 -176.132 -32.9353 236.484 GPRESSURE: 1833200 -49.7381 50.1958 -191.071 8.41302 5.97233 -40.9029 -132.102 -26.6126 237.489 PRESSAVG: 1833200 -51.9558 -10.6621 -52.8558 -10.6622 37.369 -44.596 -52.8557 -44.596 -14.9006 GPRESSAVG: 1833200 -51.5959 -12.0666 -52.7915 -10.9827 37.422 -44.6306 -52.9199 -43.2559 -15.58 TIMING: 1833200 CPU: 5528.19, 0.00302511/step Wall: 5528.19, 0.00302511/step, 2.66109 hours remaining, 208.164062 MB of memory in use. ENERGY: 1833200 717.7888 2039.9616 1930.8444 123.6363 -206189.5722 17849.7641 0.0000 0.0000 34301.2522 -149226.3247 299.5614 -183527.5769 -149121.8516 299.6279 33.7321 64.5743 558569.8710 -9.8292 -9.9180 PRESSURE: 1833400 -198.554 -50.3736 157.452 -50.3721 -110.253 -79.7365 157.452 -79.7386 18.858 GPRESSURE: 1833400 -155.592 5.18633 178.14 -38.8209 -84.7055 -82.9291 210.465 -117.216 47.8744 PRESSAVG: 1833400 -31.9661 -20.1407 29.1648 -20.1407 -62.678 -0.11077 29.1648 -0.110788 83.936 GPRESSAVG: 1833400 -32.8829 -18.3464 29.3062 -18.6783 -62.6316 -2.79445 26.5965 2.36694 84.9645 TIMING: 1833400 CPU: 5528.79, 0.00301028/step Wall: 5528.79, 0.00301028/step, 2.64787 hours remaining, 208.164062 MB of memory in use. ENERGY: 1833400 766.5908 2074.8686 1942.6596 98.2843 -205700.6674 17582.1187 0.0000 0.0000 34256.3698 -148979.7756 299.1694 -183236.1454 -148883.8500 299.7276 -96.6498 -64.1412 558586.6391 -3.5694 -3.5167 PRESSURE: 1833600 73.7026 -63.9858 32.0158 -63.9853 -45.2837 -102.694 32.0166 -102.694 117.065 GPRESSURE: 1833600 118.478 -102.938 80.1317 -116.708 -15.652 -122.27 9.31426 -36.6815 127.7 PRESSAVG: 1833600 -51.1041 41.7354 18.0512 41.7355 -2.65592 14.7442 18.0514 14.7443 63.6059 GPRESSAVG: 1833600 -49.8961 40.1248 19.9537 42.7418 -3.704 17.7223 19.8111 10.287 63.779 TIMING: 1833600 CPU: 5529.39, 0.00298564/step Wall: 5529.39, 0.00298564/step, 2.62603 hours remaining, 208.164062 MB of memory in use. ENERGY: 1833600 735.5291 2050.3651 1930.6345 117.8055 -205484.7036 17749.3763 0.0000 0.0000 34197.1388 -148703.8544 298.6521 -182900.9932 -148598.1068 299.9381 48.4945 76.8422 558538.0022 3.2820 3.3930 PRESSURE: 1833800 -37.233 -92.4942 133.416 -92.4942 -130.124 -78.5311 133.415 -78.5301 -60.7827 GPRESSURE: 1833800 -38.8975 -73.6464 140.371 -26.9105 19.6312 -114.65 77.876 -52.3452 -116.412 PRESSAVG: 1833800 -28.7849 44.4134 7.51025 44.4135 6.18487 8.03313 7.51014 8.03303 36.7679 GPRESSAVG: 1833800 -29.4797 42.9458 5.46789 45.2811 7.22635 6.63908 8.19317 9.01503 36.7102 TIMING: 1833800 CPU: 5529.99, 0.00300843/step Wall: 5529.99, 0.00300843/step, 2.64592 hours remaining, 208.164062 MB of memory in use. ENERGY: 1833800 756.2941 2090.6815 1911.3913 101.9036 -205505.7166 17529.8548 0.0000 0.0000 34334.3385 -148781.2528 299.8503 -183115.5913 -148685.9419 300.4802 -76.0466 -45.2259 556674.2787 4.7226 4.8189 PRESSURE: 1834000 -211.839 7.84804 -95.4585 7.849 -185.116 -7.77806 -95.4596 -7.77898 -155.817 GPRESSURE: 1834000 -183.968 40.7722 -28.9308 -7.19877 -162.181 -21.8067 -82.5484 -67.7429 -120.008 PRESSAVG: 1834000 -19.8527 14.29 13.5307 14.2901 24.8422 1.65476 13.5307 1.6547 40.4577 GPRESSAVG: 1834000 -19.9993 18.7469 15.1028 11.1302 24.8439 3.02822 12.8183 1.98662 40.8068 TIMING: 1834000 CPU: 5530.59, 0.00301709/step Wall: 5530.59, 0.00301709/step, 2.65336 hours remaining, 208.164062 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: 1834000 766.8408 2119.5764 1896.8085 108.7886 -205296.9536 17416.6009 0.0000 0.0000 34388.7559 -148599.5826 300.3256 -182988.3384 -148498.4353 300.4273 -184.2574 -155.3855 558840.1980 15.1491 15.2171 PRESSURE: 1834200 267.044 113.01 -33.4335 113.01 302.831 -133.6 -33.4338 -133.6 -145.734 GPRESSURE: 1834200 304.706 2.32761 43.5734 179.04 281.056 -107.308 -10.6359 -123.964 -69.6018 PRESSAVG: 1834200 -8.30158 -14.5145 5.82964 -14.5144 14.8871 16.1861 5.82962 16.1861 -23.6217 GPRESSAVG: 1834200 -8.96365 -15.5072 2.97357 -12.6308 15.0735 16.3011 5.64087 17.159 -23.0426 TIMING: 1834200 CPU: 5531.2, 0.00302241/step Wall: 5531.2, 0.00302241/step, 2.65787 hours remaining, 208.164062 MB of memory in use. ENERGY: 1834200 752.8508 2048.3250 1916.5722 114.0925 -205631.7077 17905.3489 0.0000 0.0000 34259.1195 -148635.3988 299.1934 -182894.5183 -148546.2756 300.8874 141.3806 172.0531 558008.6194 -5.6787 -5.6442 PRESSURE: 1834400 388.984 5.40605 -73.0067 5.40512 20.4066 105.538 -73.0073 105.538 212.007 GPRESSURE: 1834400 436.494 -55.4059 -31.1257 -29.7972 79.1853 95.3112 -50.6247 166.068 186.122 PRESSAVG: 1834400 25.1591 -13.8997 31.0306 -13.8998 19.1105 4.05459 31.0306 4.05451 -10.0011 GPRESSAVG: 1834400 24.8811 -15.1522 32.0827 -14.948 19.8874 2.62373 30.8081 2.87383 -10.4984 TIMING: 1834400 CPU: 5531.8, 0.00302412/step Wall: 5531.8, 0.00302412/step, 2.65921 hours remaining, 208.164062 MB of memory in use. ENERGY: 1834400 714.8390 2137.4014 1923.2993 124.8533 -206094.3130 18046.5192 0.0000 0.0000 34535.3248 -148612.0759 301.6056 -183147.4007 -148515.8332 301.0310 207.1324 233.9337 557099.1045 11.4228 11.4234 PRESSURE: 1834600 -185.484 10.9417 50.8888 10.9409 -135.278 62.2177 50.889 62.2174 -84.5221 GPRESSURE: 1834600 -140.835 42.5545 90.9806 -12.1377 -104.996 -18.6386 17.777 64.4083 -50.0216 PRESSAVG: 1834600 17.7685 47.393 37.659 47.393 -83.0764 14.6181 37.6591 14.618 20.9937 GPRESSAVG: 1834600 17.7857 48.5537 37.9734 48.6758 -83.7385 13.3878 37.3954 15.1289 21.4004 TIMING: 1834600 CPU: 5532.4, 0.0030153/step Wall: 5532.4, 0.0030153/step, 2.65129 hours remaining, 208.164062 MB of memory in use. ENERGY: 1834600 795.0012 2131.1336 1909.0460 112.3431 -205658.0936 17574.5869 0.0000 0.0000 34434.3254 -148701.6574 300.7235 -183135.9828 -148604.9996 300.7254 -135.0948 -98.6175 559064.7152 -14.7714 -14.8508 PRESSURE: 1834800 21.0435 126.164 167.959 126.164 0.620289 29.9275 167.959 29.9272 32.26 GPRESSURE: 1834800 36.0014 109.717 124.026 119.175 37.5321 49.5353 183.778 89.5343 80.2197 PRESSAVG: 1834800 29.2238 66.5521 37.5054 66.5521 -64.4626 -21.1428 37.5054 -21.1427 -2.85074 GPRESSAVG: 1834800 29.7574 65.6096 38.1173 67.022 -64.5924 -19.6802 37.1138 -21.9259 -3.19794 TIMING: 1834800 CPU: 5533, 0.00298952/step Wall: 5533, 0.00298952/step, 2.62845 hours remaining, 208.164062 MB of memory in use. ENERGY: 1834800 743.3928 2087.2372 1904.2272 114.3481 -205753.8127 17880.2458 0.0000 0.0000 34388.0084 -148636.3532 300.3190 -183024.3616 -148544.1312 300.4853 17.9746 51.2511 558266.9468 -12.6965 -12.6777 PRESSURE: 1835000 16.227 -61.0576 94.7196 -61.0583 -37.6408 -37.5604 94.7184 -37.56 -78.5577 GPRESSURE: 1835000 12.2278 -113.548 101.644 -40.3524 15.8657 -68.4847 86.861 31.1694 -27.8619 PRESSAVG: 1835000 -12.929 16.1084 34.0317 16.1085 23.3581 -38.7344 34.0316 -38.7344 9.08529 GPRESSAVG: 1835000 -13.2015 14.2941 33.9425 17.1045 23.6186 -40.0148 35.7524 -37.8356 9.13313 TIMING: 1835000 CPU: 5533.6, 0.00300069/step Wall: 5533.6, 0.00300069/step, 2.63811 hours remaining, 208.367188 MB of memory in use. ENERGY: 1835000 756.5039 2120.0991 1893.4071 110.4099 -205819.5891 17780.6600 0.0000 0.0000 34391.2866 -148767.2224 300.3477 -183158.5091 -148667.6030 300.8122 -33.3239 0.0772 559087.0734 6.5048 6.5167 PRESSURE: 1835200 -180.697 -52.6449 -8.73333 -52.6455 -340.793 -69.0794 -8.73372 -69.0792 -197.296 GPRESSURE: 1835200 -161.916 -28.6676 -8.85949 -158.774 -267.265 -64.2814 -87.0366 -99.0941 -189.836 PRESSAVG: 1835200 25.2357 -31.7377 40.9171 -31.7377 -28.5391 3.90958 40.917 3.90956 -34.5207 GPRESSAVG: 1835200 25.2461 -29.805 40.916 -33.5307 -28.5082 4.40173 39.7284 3.56271 -34.105 TIMING: 1835200 CPU: 5534.2, 0.00299466/step Wall: 5534.2, 0.00299466/step, 2.63264 hours remaining, 208.367188 MB of memory in use. ENERGY: 1835200 778.0006 2072.6590 1933.9982 122.7237 -205815.1292 17601.4591 0.0000 0.0000 34376.8208 -148929.4677 300.2213 -183306.2885 -148846.3113 299.9175 -239.5951 -206.3392 558946.4846 -12.6081 -12.4557 PRESSURE: 1835400 -0.843564 87.5651 97.6423 87.5666 176.779 183.734 97.6434 183.733 -125.322 GPRESSURE: 1835400 -16.6748 90.7183 43.7309 68.8013 194.08 191.417 108.432 75.5895 -32.6098 PRESSAVG: 1835400 55.0812 -31.142 47.4899 -31.1421 -26.5077 -45.3697 47.49 -45.3698 -40.6536 GPRESSAVG: 1835400 54.9902 -31.1821 47.1815 -30.924 -26.4316 -46.2662 48.8167 -44.3539 -40.722 TIMING: 1835400 CPU: 5534.8, 0.00301204/step Wall: 5534.8, 0.00301204/step, 2.64775 hours remaining, 208.367188 MB of memory in use. ENERGY: 1835400 742.7757 2092.3812 1891.2766 105.8470 -206243.9286 17881.1141 0.0000 0.0000 34459.5403 -149070.9936 300.9437 -183530.5340 -148965.0532 299.3694 16.8711 48.2651 558000.1219 -4.0267 -4.0545 PRESSURE: 1835600 27.5021 5.60603 -73.4742 5.60626 -32.6605 -138.805 -73.4752 -138.805 -163.832 GPRESSURE: 1835600 44.7933 25.5082 1.12256 -63.182 51.8131 -153.109 -143.183 -129.098 -166.228 PRESSAVG: 1835600 27.8985 19.3254 29.1659 19.3255 17.3545 -36.3139 29.166 -36.314 -8.07362 GPRESSAVG: 1835600 28.915 19.8402 29.4457 18.914 17.2249 -32.9131 26.8519 -39.0895 -8.46529 TIMING: 1835600 CPU: 5535.41, 0.00303537/step Wall: 5535.41, 0.00303538/step, 2.66809 hours remaining, 208.367188 MB of memory in use. ENERGY: 1835600 743.3309 2098.4489 1916.2602 105.7907 -206211.9924 17781.1710 0.0000 0.0000 34450.6121 -149116.3786 300.8658 -183566.9907 -149016.6099 299.6120 -56.3303 -23.2071 557069.6022 12.3931 12.5582 PRESSURE: 1835800 -311.1 -57.6615 -136.427 -57.662 -122.524 -16.1779 -136.428 -16.1791 -196.996 GPRESSURE: 1835800 -266.37 19.9633 -120.412 -4.20714 -77.4719 -55.412 -116.075 -23.2516 -181.173 PRESSAVG: 1835800 32.8332 14.2017 -62.3599 14.2016 19.4037 -7.37843 -62.3599 -7.3785 -36.7882 GPRESSAVG: 1835800 33.131 14.4268 -60.7122 13.1775 19.9014 -10.0021 -60.1995 -5.88818 -37.5693 TIMING: 1835800 CPU: 5536.01, 0.00301635/step Wall: 5536.01, 0.00301635/step, 2.6512 hours remaining, 208.367188 MB of memory in use. ENERGY: 1835800 769.5712 2098.8558 1912.4702 112.7575 -205911.2098 17503.8071 0.0000 0.0000 34204.8883 -149308.8598 298.7198 -183513.7481 -149212.6859 299.0837 -210.2065 -175.0051 557932.4595 5.1496 5.1544 PRESSURE: 1836000 132.167 172.316 -36.0646 172.316 -25.4757 -21.4324 -36.0647 -21.4327 -72.2399 GPRESSURE: 1836000 156.522 211.303 -16.9198 127.459 45.9938 -25.7449 -67.8028 -38.4197 -82.877 PRESSAVG: 1836000 0.709306 34.1906 -11.0319 34.1906 23.0379 12.3744 -11.0319 12.3744 -32.2256 GPRESSAVG: 1836000 0.154845 33.5583 -12.0597 34.0168 21.9798 12.0286 -12.9403 11.4044 -30.7855 TIMING: 1836000 CPU: 5536.61, 0.00300153/step Wall: 5536.61, 0.00300153/step, 2.63801 hours remaining, 208.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1836000 770.1353 2096.3385 1908.0217 104.8135 -206344.5113 17922.2740 0.0000 0.0000 34204.0207 -149338.9077 298.7122 -183542.9284 -149245.2748 298.7231 11.4837 39.8795 557628.5827 -2.8261 -2.8836 PRESSURE: 1836200 -170.866 9.89528 53.3596 9.89467 21.9238 -2.88033 53.3595 -2.88046 -110.363 GPRESSURE: 1836200 -143.635 -4.20602 95.3094 24.0785 63.236 -13.6811 8.07112 33.3057 -85.5812 PRESSAVG: 1836200 -23.498 30.2409 47.4713 30.2409 -13.984 4.83858 47.4714 4.83859 -10.435 GPRESSAVG: 1836200 -23.6909 29.0295 48.0204 33.2417 -14.1672 4.19026 46.5885 6.72663 -10.1856 TIMING: 1836200 CPU: 5537.22, 0.00303036/step Wall: 5537.22, 0.00303036/step, 2.66318 hours remaining, 208.367188 MB of memory in use. ENERGY: 1836200 774.8528 2038.8781 1908.2509 130.7431 -205760.6585 17492.1543 0.0000 0.0000 34122.1373 -149293.6419 297.9971 -183415.7792 -149194.7890 298.3419 -86.4348 -55.3268 558275.5989 -15.9724 -16.0146 LDB: ============= START OF LOAD BALANCING ============== 5540.74 LDB: ============== END OF LOAD BALANCING =============== 5540.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5540.74 LDB: ============= START OF LOAD BALANCING ============== 5541.05 LDB: Largest compute 4800 load 0.031205 is 26.4% of average load 0.118055 LDB: Average compute 0.001728 is 1.5% of average load 0.118055 LDB: TIME 5541.05 LOAD: AVG 0.118055 MAX 0.213232 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.258 MB LDB: TIME 5541.05 LOAD: AVG 0.118055 MAX 0.213232 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.461 MB LDB: TIME 5541.05 LOAD: AVG 0.118055 MAX 0.213232 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.461 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5541.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5541.05 PRESSURE: 1836400 -124.767 48.4828 -13.5867 48.4819 -58.2942 51.0185 -13.5863 51.019 58.2571 GPRESSURE: 1836400 -56.6106 3.80041 69.0711 34.6173 -13.3135 66.0824 13.2869 8.12141 41.1167 PRESSAVG: 1836400 2.51282 29.8624 13.6794 29.8624 -36.5217 -13.5446 13.6794 -13.5446 29.3866 GPRESSAVG: 1836400 2.92557 31.6857 13.3222 27.8061 -36.5516 -12.692 13.7424 -15.613 29.33 TIMING: 1836400 CPU: 5537.84, 0.00309422/step Wall: 5537.84, 0.00309422/step, 2.71913 hours remaining, 208.417969 MB of memory in use. ENERGY: 1836400 758.6301 2115.9033 1927.3450 104.1172 -206187.5250 17702.9065 0.0000 0.0000 34284.2961 -149294.3270 299.4133 -183578.6231 -149195.3661 299.1173 -41.6014 -9.6025 557129.8653 -1.5408 -1.4320 PRESSURE: 1836600 161.741 18.2261 -209.477 18.2269 100.281 52.5839 -209.477 52.5832 11.3847 GPRESSURE: 1836600 153.967 38.0867 -222.521 31.2116 146.405 132.073 -253.611 2.77313 52.6933 PRESSAVG: 1836600 15.8038 10.6308 0.233588 10.6308 -12.6378 18.8863 0.233573 18.8864 23.5157 GPRESSAVG: 1836600 15.7352 11.0898 -1.48257 10.6436 -11.7696 18.7868 1.59999 18.4932 22.0231 TIMING: 1836600 CPU: 5538.45, 0.00303327/step Wall: 5538.45, 0.00303327/step, 2.6654 hours remaining, 208.878906 MB of memory in use. ENERGY: 1836600 770.5091 2148.4234 1924.9426 132.6391 -206315.6757 17918.0364 0.0000 0.0000 34130.4414 -149290.6836 298.0696 -183421.1250 -149199.6202 299.1598 91.1357 117.6883 557056.0099 8.8939 8.6629 PRESSURE: 1836800 109.31 -214.934 -65.3855 -214.933 181.581 -257.357 -65.386 -257.358 363.971 GPRESSURE: 1836800 93.5838 -166.991 -175.301 -160.918 260.949 -194.449 -29.2474 -271.798 392.517 PRESSAVG: 1836800 10.5423 -0.0445654 12.8145 -0.0445674 -18.0403 10.2068 12.8145 10.2068 -10.4426 GPRESSAVG: 1836800 11.532 -0.372247 12.6067 -0.210634 -18.7111 11.9956 14.6454 8.93715 -10.4549 TIMING: 1836800 CPU: 5539.05, 0.00303131/step Wall: 5539.05, 0.00303131/step, 2.66351 hours remaining, 208.878906 MB of memory in use. ENERGY: 1836800 750.6283 2121.0960 1911.2254 122.5546 -206614.3811 17982.0979 0.0000 0.0000 34442.1686 -149284.6102 300.7920 -183726.7789 -149190.1847 299.2569 218.2873 249.0166 555250.7334 -5.9802 -5.8780 PRESSURE: 1837000 -279.975 184.33 -26.4329 184.332 -83.9402 -37.1856 -26.4323 -37.1858 -9.54916 GPRESSURE: 1837000 -275.615 190.94 -27.7449 215.532 -13.8686 -44.1336 -40.8853 -75.6165 2.27491 PRESSAVG: 1837000 -24.8059 -1.16523 -22.7418 -1.16526 -28.2701 -11.3935 -22.7418 -11.3934 49.9671 GPRESSAVG: 1837000 -25.4081 -2.02817 -21.6202 0.615823 -27.1123 -12.3378 -24.6781 -10.4773 49.6981 TIMING: 1837000 CPU: 5539.66, 0.00303601/step Wall: 5539.66, 0.00303601/step, 2.66748 hours remaining, 208.878906 MB of memory in use. ENERGY: 1837000 764.7200 2085.0034 1926.3300 109.4533 -205730.3406 17425.2630 0.0000 0.0000 34290.7546 -149128.8162 299.4697 -183419.5708 -149028.5479 300.0464 -124.4883 -95.7362 556030.8976 -1.0363 -0.9408 PRESSURE: 1837200 2.89243 -44.5936 -98.1145 -44.5924 120.514 213.631 -98.1146 213.63 24.4632 GPRESSURE: 1837200 19.3604 -9.29364 -61.144 -104.35 137.36 168.324 -116.667 205.349 81.6069 PRESSAVG: 1837200 -21.7185 68.4259 -22.7609 68.4259 -34.9503 6.40683 -22.761 6.40676 98.668 GPRESSAVG: 1837200 -21.5246 68.4371 -23.3189 67.2533 -37.3457 4.65328 -22.4632 8.81276 100.597 TIMING: 1837200 CPU: 5540.26, 0.0030043/step Wall: 5540.26, 0.0030043/step, 2.63944 hours remaining, 208.878906 MB of memory in use. ENERGY: 1837200 735.9628 2067.4987 1952.7118 126.9645 -206051.4338 17650.3323 0.0000 0.0000 34400.1846 -149117.7791 300.4254 -183517.9637 -149022.4684 300.0868 49.2899 79.4423 554944.2093 13.9997 13.9089 PRESSURE: 1837400 44.4191 -93.341 15.9966 -93.34 -26.7092 -7.57396 15.9974 -7.57202 10.1838 GPRESSURE: 1837400 124.101 -104 22.9919 -35.9211 -49.631 -46.1983 50.1604 -6.15452 49.3211 PRESSAVG: 1837400 -21.8593 21.235 -34.1527 21.2351 -41.2182 -24.8244 -34.1526 -24.8243 33.8462 GPRESSAVG: 1837400 -22.3295 21.3926 -34.9811 21.5841 -39.9476 -22.5314 -33.0391 -27.5101 33.5103 TIMING: 1837400 CPU: 5540.86, 0.00300585/step Wall: 5540.86, 0.00300585/step, 2.64064 hours remaining, 208.878906 MB of memory in use. ENERGY: 1837400 740.8014 2130.1131 1927.3857 118.4772 -206282.2987 17813.4821 0.0000 0.0000 34411.2351 -149140.8041 300.5219 -183552.0393 -149046.5706 299.6849 9.2979 41.2636 556472.6069 -9.7438 -9.5890 PRESSURE: 1837600 0.151581 4.79641 174.598 4.79586 -218.498 -0.390986 174.597 -0.391865 11.4521 GPRESSURE: 1837600 -32.4457 -10.5041 191.577 -89.9055 -124.559 46.3205 112.578 -45.4777 46.0533 PRESSAVG: 1837600 -19.6607 15.7768 81.2824 15.7768 1.38701 -38.226 81.2825 -38.2259 63.7072 GPRESSAVG: 1837600 -19.6975 16.0542 83.0608 15.8207 1.24829 -37.7406 79.2534 -35.8386 63.1598 TIMING: 1837600 CPU: 5541.47, 0.00302295/step Wall: 5541.47, 0.00302295/step, 2.65549 hours remaining, 208.878906 MB of memory in use. ENERGY: 1837600 749.4921 2072.6557 1933.6425 111.5304 -206396.5643 17859.9346 0.0000 0.0000 34267.1191 -149402.1899 299.2633 -183669.3090 -149304.8889 299.2845 -68.9649 -36.9837 557431.0508 15.1445 14.9035 PRESSURE: 1837800 -65.6037 -103.692 -101.336 -103.692 -357.87 -63.9515 -101.335 -63.9517 78.9161 GPRESSURE: 1837800 -60.6458 -146.785 -2.47695 -167.692 -240.931 -114.816 -170.177 33.8541 50.6912 PRESSAVG: 1837800 -44.5451 -8.39773 7.12765 -8.39777 34.3527 -21.0918 7.1276 -21.0919 9.30612 GPRESSAVG: 1837800 -44.8625 -7.06551 8.33618 -10.089 33.9471 -23.2504 7.59492 -22.0627 9.62771 TIMING: 1837800 CPU: 5542.07, 0.00303647/step Wall: 5542.07, 0.00303647/step, 2.6672 hours remaining, 209.140625 MB of memory in use. ENERGY: 1837800 769.9060 2051.4323 1915.8023 127.3224 -206181.3860 17788.1757 0.0000 0.0000 34135.9453 -149392.8018 298.1177 -183528.7472 -149301.1709 299.1935 -114.8524 -83.6286 558391.0259 -0.2954 -0.4292 PRESSURE: 1838000 1.63386 -135.328 111.122 -135.327 -345.701 28.2613 111.123 28.26 -217.355 GPRESSURE: 1838000 -29.0197 -225.668 141.164 -107.624 -300.783 14.1322 99.8694 65.8431 -144.101 PRESSAVG: 1838000 1.5964 -13.242 -51.5658 -13.2419 -56.6334 -19.7881 -51.5659 -19.7881 32.3748 GPRESSAVG: 1838000 1.72414 -15.176 -52.6238 -11.9487 -57.2658 -20.4781 -51.5432 -18.8142 33.223 TIMING: 1838000 CPU: 5542.68, 0.00301619/step Wall: 5542.68, 0.00301619/step, 2.64922 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: 1838000 782.8327 2000.6748 1934.8190 115.0660 -206322.7273 17835.5027 0.0000 0.0000 34133.8740 -149519.9581 298.0996 -183653.8321 -149418.4915 298.3450 -187.1408 -157.9681 559522.8588 -7.5541 -7.4396 PRESSURE: 1838200 -151.237 -135.679 159.426 -135.68 -317.863 47.8656 159.425 47.8658 148.749 GPRESSURE: 1838200 -126.794 -140.502 97.375 -174.745 -262.476 71.8272 237.189 -22.5398 170.841 PRESSAVG: 1838200 9.8657 50.4981 32.8648 50.4981 21.4029 22.1651 32.8648 22.165 9.99574 GPRESSAVG: 1838200 10.2924 52.6647 31.5241 49.7966 21.5894 21.8253 33.4937 21.2199 9.48806 TIMING: 1838200 CPU: 5543.28, 0.00302843/step Wall: 5543.28, 0.00302843/step, 2.6598 hours remaining, 209.152344 MB of memory in use. ENERGY: 1838200 704.4613 2039.3524 1920.0558 127.2670 -205944.3242 17560.9791 0.0000 0.0000 33990.5863 -149601.6224 296.8482 -183592.2087 -149494.7274 298.6268 -106.7839 -72.8097 557964.7020 13.7548 13.7900 PRESSURE: 1838400 306.909 -176.775 65.9314 -176.776 -27.1475 38.0009 65.9311 38.0011 43.3336 GPRESSURE: 1838400 299.131 -178.402 94.1137 -218.753 34.8872 -2.16589 27.5408 44.8144 71.1819 PRESSAVG: 1838400 8.0719 2.022 73.9067 2.02186 -29.9772 -31.813 73.9066 -31.8131 10.389 GPRESSAVG: 1838400 8.05963 2.09404 76.0787 2.96434 -30.1798 -29.6273 71.6913 -30.9009 10.7918 TIMING: 1838400 CPU: 5543.89, 0.00303914/step Wall: 5543.89, 0.00303914/step, 2.66904 hours remaining, 209.152344 MB of memory in use. ENERGY: 1838400 708.3801 2148.7066 1930.3841 112.3673 -206570.7831 18048.1227 0.0000 0.0000 34170.3413 -149452.4811 298.4181 -183622.8224 -149363.4886 298.7191 107.6984 135.0667 557393.6735 -3.8388 -3.7761 PRESSURE: 1838600 280.686 114.598 27.6163 114.599 -131.722 -115.247 27.6164 -115.247 151.542 GPRESSURE: 1838600 305.001 71.8198 -61.8175 38.7174 -58.7065 -149.595 99.7743 -131.566 149.984 PRESSAVG: 1838600 58.4427 27.5197 57.3996 27.5198 -93.1652 11.5087 57.3995 11.5087 42.0324 GPRESSAVG: 1838600 57.2072 27.3916 58.5627 28.0231 -92.0218 12.3209 59.5599 10.1309 42.1381 TIMING: 1838600 CPU: 5544.49, 0.00301855/step Wall: 5544.49, 0.00301855/step, 2.65079 hours remaining, 209.152344 MB of memory in use. ENERGY: 1838600 724.5925 2110.5795 1939.6053 102.9167 -206465.3399 17938.3063 0.0000 0.0000 34210.0537 -149439.2859 298.7649 -183649.3396 -149339.0898 299.2362 100.1686 132.0929 557764.5737 2.4366 2.4412 PRESSURE: 1838800 -112.577 -99.4744 -37.2025 -99.4757 244.518 125.224 -37.2033 125.225 -15.5941 GPRESSURE: 1838800 -136.841 -186.458 -47.0537 11.2663 264.797 190.663 -28.8914 102.295 79.3765 PRESSAVG: 1838800 -51.537 74.4295 13.9199 74.4294 50.4337 38.9009 13.9199 38.9008 45.4964 GPRESSAVG: 1838800 -50.9985 75.5205 12.6242 74.2965 50.8447 36.9734 12.5029 40.1508 44.9751 TIMING: 1838800 CPU: 5545.1, 0.00301062/step Wall: 5545.1, 0.00301062/step, 2.64366 hours remaining, 209.152344 MB of memory in use. ENERGY: 1838800 772.3293 2118.7748 1912.8870 116.8017 -206502.4680 17983.8045 0.0000 0.0000 34216.1422 -149381.7286 298.8181 -183597.8708 -149285.5117 298.6269 38.7822 69.1110 557326.8716 14.7977 14.9404 PRESSURE: 1839000 28.7483 -44.8091 7.80249 -44.8098 7.14731 -27.5284 7.80128 -27.53 370.407 GPRESSURE: 1839000 73.0627 14.2836 -24.403 -41.8077 47.3178 22.3269 52.2425 -94.1971 379.703 PRESSAVG: 1839000 -34.0167 2.76968 12.8532 2.76955 52.5517 -27.1082 12.8532 -27.1083 -1.85405 GPRESSAVG: 1839000 -32.4624 0.483599 13.5403 2.41466 51.3994 -26.117 12.7768 -26.7079 -2.32436 TIMING: 1839000 CPU: 5545.7, 0.00301549/step Wall: 5545.7, 0.00301549/step, 2.64777 hours remaining, 209.152344 MB of memory in use. ENERGY: 1839000 761.7320 2119.2292 1909.5348 106.9647 -206565.9298 18029.0956 0.0000 0.0000 34385.7874 -149253.5861 300.2996 -183639.3735 -149152.1103 299.2753 135.4341 166.6946 557904.6220 5.5603 5.5376 PRESSURE: 1839200 -241.18 -79.7561 -165.996 -79.7558 -140.139 -27.46 -165.996 -27.459 -43.3156 GPRESSURE: 1839200 -251.798 -135.913 -139.064 -15.9743 -93.8395 -61.9662 -117.166 -1.36579 20.3886 PRESSAVG: 1839200 -120.82 -19.7555 -48.9109 -19.7555 -12.2096 38.8478 -48.9109 38.8479 127.837 GPRESSAVG: 1839200 -122.168 -19.9632 -49.9927 -18.7115 -10.7856 37.4225 -46.3773 38.2156 127.767 TIMING: 1839200 CPU: 5546.31, 0.0030374/step Wall: 5546.31, 0.0030374/step, 2.66683 hours remaining, 209.152344 MB of memory in use. ENERGY: 1839200 777.5600 2087.4530 1930.5230 104.2205 -206259.5987 17639.8990 0.0000 0.0000 34425.0781 -149294.8650 300.6428 -183719.9431 -149203.8194 299.7232 -141.5450 -108.4163 557398.2140 -1.7308 -1.7286 PRESSURE: 1839400 165.114 -77.0913 14.1654 -77.0909 -63.9141 -97.2801 14.1659 -97.2812 216.868 GPRESSURE: 1839400 164.73 -59.2934 30.8195 -67.8809 1.96282 -86.5937 11.3208 -158.423 246.569 PRESSAVG: 1839400 -46.7915 -0.545464 -34.285 -0.545386 -39.2069 -29.3479 -34.285 -29.3481 88.0715 GPRESSAVG: 1839400 -47.3874 -0.183612 -34.6395 -0.540671 -39.4445 -28.7431 -34.5419 -28.3038 88.4697 TIMING: 1839400 CPU: 5546.91, 0.00300958/step Wall: 5546.91, 0.00300958/step, 2.64225 hours remaining, 209.152344 MB of memory in use. ENERGY: 1839400 754.5815 2085.1424 1914.1377 106.5529 -206360.5111 17952.1973 0.0000 0.0000 34304.3898 -149243.5094 299.5888 -183547.8992 -149150.8152 299.4348 106.0228 137.7539 556444.4544 0.6911 0.5460 PRESSURE: 1839600 224.542 -30.0808 -203.658 -30.0801 -33.3679 20.5285 -203.658 20.5281 123.415 GPRESSURE: 1839600 290.089 45.2704 -265.2 -52.3635 -4.33948 28.9081 -114.813 -44.9053 138.515 PRESSAVG: 1839600 5.24044 -71.1485 -25.8825 -71.1484 -65.8594 2.46882 -25.8824 2.4688 85.4118 GPRESSAVG: 1839600 6.23048 -69.5682 -25.1194 -70.9039 -66.2867 1.68351 -27.631 0.716139 84.538 TIMING: 1839600 CPU: 5547.51, 0.00303416/step Wall: 5547.51, 0.00303416/step, 2.66365 hours remaining, 209.152344 MB of memory in use. ENERGY: 1839600 727.6743 2128.6328 1926.5176 118.1959 -206435.7204 17938.6593 0.0000 0.0000 34424.5193 -149171.5213 300.6379 -183596.0406 -149080.8883 299.4491 104.8629 141.4215 556709.0686 8.2643 8.1606 PRESSURE: 1839800 83.3568 47.2739 68.4655 47.2729 48.2059 -2.91972 68.465 -2.92043 284.86 GPRESSURE: 1839800 97.624 54.7459 138.181 13.7444 50.1764 27.525 4.09829 -31.06 366.344 PRESSAVG: 1839800 -68.1155 -11.9213 21.4702 -11.9213 1.38353 -21.3529 21.4702 -21.3528 55.3223 GPRESSAVG: 1839800 -69.2029 -12.4745 19.939 -13.0523 1.12766 -21.432 21.9467 -19.9483 56.8381 TIMING: 1839800 CPU: 5548.12, 0.0030366/step Wall: 5548.12, 0.0030366/step, 2.66563 hours remaining, 209.152344 MB of memory in use. ENERGY: 1839800 728.2399 2076.4431 1941.2970 118.5560 -206125.9896 17996.4986 0.0000 0.0000 34090.3324 -149174.6224 297.7194 -183264.9549 -149075.9752 299.5167 138.8077 171.3815 558580.7715 -3.8032 -3.7457 PRESSURE: 1840000 7.52303 73.908 264.19 73.9077 -29.3588 -125.163 264.19 -125.162 76.9374 GPRESSURE: 1840000 56.0216 24.481 200.246 45.2925 13.4654 -173.51 315.013 -123.941 66.2148 PRESSAVG: 1840000 50.2679 -43.5038 33.694 -43.5038 -49.6847 -11.6338 33.694 -11.634 14.905 GPRESSAVG: 1840000 50.6285 -44.1234 34.943 -42.3529 -49.0712 -12.9747 33.3849 -10.6061 14.665 TIMING: 1840000 CPU: 5548.73, 0.0030327/step Wall: 5548.73, 0.0030327/step, 2.66204 hours remaining, 209.152344 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: 1840000 722.3755 2116.5741 1929.7144 105.0220 -205727.9605 17618.3740 0.0000 0.0000 34127.8771 -149108.0234 298.0472 -183235.9005 -149009.9396 299.5584 18.3672 45.2340 559261.6697 5.1627 5.4074 PRESSURE: 1840200 -24.968 -82.9439 78.669 -82.9445 -29.9017 -180.891 78.668 -180.891 -175.901 GPRESSURE: 1840200 -23.3092 -155.15 73.0896 -88.3046 -33.3181 -117.764 130.487 -184.424 -81.9378 PRESSAVG: 1840200 -8.85382 -23.3377 17.9986 -23.3377 -21.7102 0.0652724 17.9985 0.0652963 3.44939 GPRESSAVG: 1840200 -9.29972 -23.1157 16.8604 -25.9877 -21.5051 2.54446 19.5793 -1.75665 3.49895 TIMING: 1840200 CPU: 5549.33, 0.00300526/step Wall: 5549.33, 0.00300526/step, 2.63779 hours remaining, 209.152344 MB of memory in use. ENERGY: 1840200 784.3352 2143.1087 1922.5835 107.6100 -205792.2063 17598.5244 0.0000 0.0000 34154.8415 -149081.2030 298.2827 -183236.0444 -148990.4372 300.2240 -76.9235 -46.1884 558137.0969 -9.0382 -9.1020 LDB: ============= START OF LOAD BALANCING ============== 5552.85 LDB: ============== END OF LOAD BALANCING =============== 5552.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5552.85 LDB: ============= START OF LOAD BALANCING ============== 5553.15 LDB: Largest compute 4800 load 0.031016 is 26.3% of average load 0.117998 LDB: Average compute 0.001728 is 1.5% of average load 0.117998 LDB: TIME 5553.15 LOAD: AVG 0.117998 MAX 0.210323 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.168 MB LDB: TIME 5553.15 LOAD: AVG 0.117998 MAX 0.210323 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.238 MB LDB: TIME 5553.15 LOAD: AVG 0.117998 MAX 0.210323 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.238 MB LDB: ============== END OF LOAD BALANCING =============== 5553.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5553.16 PRESSURE: 1840400 -148.907 38.3782 -120.198 38.3794 81.9875 -98.8091 -120.2 -98.8079 86.9716 GPRESSURE: 1840400 -93.6203 12.7131 -71.3948 -4.60015 134.248 -45.971 -89.0021 -119.848 81.7279 PRESSAVG: 1840400 21.3291 -15.4084 38.8988 -15.4084 8.69982 12.4559 38.8987 12.4559 -8.27367 GPRESSAVG: 1840400 21.728 -17.0915 38.5902 -13.3354 8.89357 13.9114 37.6875 11.4435 -8.3553 TIMING: 1840400 CPU: 5549.94, 0.0030554/step Wall: 5549.94, 0.0030554/step, 2.68163 hours remaining, 209.511719 MB of memory in use. ENERGY: 1840400 738.1227 2130.6083 1945.0678 122.6605 -206146.8332 17914.8512 0.0000 0.0000 34216.3023 -149079.2204 298.8195 -183295.5226 -148987.9709 299.1734 6.6840 40.7851 558904.4789 7.2518 7.4221 PRESSURE: 1840600 68.9146 36.6961 68.2529 36.6951 89.0603 -9.77167 68.2522 -9.77157 -73.4956 GPRESSURE: 1840600 96.3948 -0.483548 74.8055 -6.3099 116.717 107.836 137.275 -69.7275 -40.5573 PRESSAVG: 1840600 -46.7029 -30.1464 -33.8396 -30.1464 17.8088 -32.157 -33.8395 -32.1572 32.545 GPRESSAVG: 1840600 -46.5335 -28.39 -33.7781 -29.9231 17.0833 -33.0151 -33.0888 -29.2876 33.1456 TIMING: 1840600 CPU: 5550.55, 0.00303469/step Wall: 5550.55, 0.00303469/step, 2.66328 hours remaining, 209.582031 MB of memory in use. ENERGY: 1840600 761.5779 2093.2231 1897.5008 108.1856 -206333.0072 18138.0741 0.0000 0.0000 34186.0976 -149148.3481 298.5557 -183334.4456 -149057.4723 299.3918 28.1598 57.5183 559342.3595 1.2170 1.2318 PRESSURE: 1840800 -177.052 -63.1981 -29.4277 -63.198 225.039 -2.93366 -29.4273 -2.9345 -262.013 GPRESSURE: 1840800 -192.98 5.42718 -3.96782 -65.1216 228.179 -42.5159 16.903 -9.36106 -165.195 PRESSAVG: 1840800 3.45011 57.6671 -42.7148 57.6671 -40.9926 19.8083 -42.7148 19.8084 -0.164189 GPRESSAVG: 1840800 4.88741 58.7764 -41.9168 56.6927 -41.5402 19.7948 -43.4038 19.1042 -1.67492 TIMING: 1840800 CPU: 5551.15, 0.003009/step Wall: 5551.15, 0.003009/step, 2.64056 hours remaining, 209.582031 MB of memory in use. ENERGY: 1840800 756.3338 2064.0298 1925.2218 129.5491 -206002.4706 17821.5264 0.0000 0.0000 34248.1278 -149057.6819 299.0974 -183305.8097 -148964.6407 299.0042 -71.3420 -43.3320 558240.5259 -12.5689 -12.7759 PRESSURE: 1841000 -9.63265 -116.631 -38.0802 -116.63 -27.4027 -57.0036 -38.0803 -57.0034 -16.5485 GPRESSURE: 1841000 79.1304 -43.9791 -22.241 -133.648 -64.6433 -67.5653 0.649012 -11.5231 32.515 PRESSAVG: 1841000 -67.6307 -17.2403 -5.87199 -17.2404 77.2891 20.8672 -5.87201 20.8672 -0.214807 GPRESSAVG: 1841000 -69.5295 -17.6251 -5.55267 -15.2221 78.0701 20.1319 -7.19186 19.5159 0.931746 TIMING: 1841000 CPU: 5551.75, 0.00300396/step Wall: 5551.75, 0.00300396/step, 2.63598 hours remaining, 209.582031 MB of memory in use. ENERGY: 1841000 745.1321 2112.5611 1899.3542 115.1742 -205894.9435 17820.6999 0.0000 0.0000 34139.9968 -149062.0251 298.1531 -183202.0219 -148969.0634 299.2097 -17.8613 15.6674 558453.0364 3.1478 3.1574 PRESSURE: 1841200 93.0402 60.9664 -4.13506 60.9669 183.686 -121.187 -4.13428 -121.186 159.867 GPRESSURE: 1841200 99.0302 -13.3537 84.704 46.5801 213.541 -105.617 -31.6761 -187.892 224.124 PRESSAVG: 1841200 58.7501 -30.9043 -7.56869 -30.9042 4.78425 -12.5142 -7.56867 -12.5143 -53.2308 GPRESSAVG: 1841200 58.8229 -31.5086 -6.36718 -30.2999 4.63593 -13.9931 -7.06666 -10.0549 -53.8946 TIMING: 1841200 CPU: 5552.35, 0.00300827/step Wall: 5552.35, 0.00300827/step, 2.63959 hours remaining, 209.582031 MB of memory in use. ENERGY: 1841200 724.0417 2069.8341 1937.8223 120.1210 -206576.4030 18098.8462 0.0000 0.0000 34477.0684 -149148.6692 301.0968 -183625.7376 -149054.2045 299.1161 145.5309 178.8985 558447.8978 3.4345 3.1881 PRESSURE: 1841400 -86.1397 107.269 122.7 107.27 -134.111 -44.8986 122.7 -44.8998 -67.6042 GPRESSURE: 1841400 -41.3682 93.7751 132.671 89.1028 -85.4714 -81.777 159.069 -18.0255 -41.5962 PRESSAVG: 1841400 13.8062 50.649 10.0868 50.649 20.5688 50.2757 10.0866 50.2756 20.5827 GPRESSAVG: 1841400 12.6146 50.2405 8.71681 49.8796 21.1927 50.8873 11.2717 49.7804 21.1415 TIMING: 1841400 CPU: 5552.95, 0.00299167/step Wall: 5552.95, 0.00299167/step, 2.62486 hours remaining, 209.582031 MB of memory in use. ENERGY: 1841400 722.0604 2059.9251 1909.5648 108.7826 -206358.4316 17816.4358 0.0000 0.0000 34433.0238 -149308.6390 300.7122 -183741.6628 -149208.6398 299.3094 -95.9516 -56.1453 558161.1402 18.3192 18.3163 PRESSURE: 1841600 479.248 4.23267 -308.837 4.23283 -133.412 -109.238 -308.839 -109.236 194.545 GPRESSURE: 1841600 464.674 69.6326 -338.648 -65.8458 -96.5429 -31.84 -242.163 -118.818 276.175 PRESSAVG: 1841600 12.0901 38.9454 -10.7607 38.9454 6.36979 10.9798 -10.7608 10.98 -27.6926 GPRESSAVG: 1841600 12.0751 40.7015 -11.4953 37.7452 5.93534 10.8985 -10.7211 10.7975 -27.5337 TIMING: 1841600 CPU: 5553.55, 0.00298464/step Wall: 5553.55, 0.00298464/step, 2.61852 hours remaining, 209.582031 MB of memory in use. ENERGY: 1841600 739.5771 2116.7682 1928.0437 126.4360 -206803.6569 18273.5814 0.0000 0.0000 34253.9547 -149365.2958 299.1483 -183619.2505 -149275.0836 299.2792 180.1267 214.7686 556282.6079 -3.0776 -3.1744 PRESSURE: 1841800 125.999 -170.105 -70.8667 -170.104 158.698 -2.55101 -70.8662 -2.55157 -11.7334 GPRESSURE: 1841800 144.823 -100.63 -29.2755 -87.2053 216.597 -66.1537 -120.012 86.2417 13.3021 PRESSAVG: 1841800 21.607 0.0402614 -1.50237 0.0402902 23.8408 42.1771 -1.50231 42.1771 -27.3185 GPRESSAVG: 1841800 22.7546 -1.06974 0.517926 0.476216 23.2476 43.257 -2.18896 41.5993 -27.646 TIMING: 1841800 CPU: 5554.14, 0.0029574/step Wall: 5554.14, 0.0029574/step, 2.59446 hours remaining, 209.582031 MB of memory in use. ENERGY: 1841800 705.0328 2082.9181 1948.7097 107.1357 -206682.9967 18117.5711 0.0000 0.0000 34436.1430 -149285.4862 300.7394 -183721.6292 -149189.3990 299.5794 90.9878 124.9074 558841.5977 6.0431 6.1187 PRESSURE: 1842000 -2.03095 -88.0123 -101.97 -88.0121 154.757 -27.4192 -101.969 -27.4191 -151.711 GPRESSURE: 1842000 61.9018 -73.0658 -33.8006 -41.4904 112.627 -38.4625 -109.9 -108.232 -69.2014 PRESSAVG: 1842000 -38.7382 -21.2096 -20.5611 -21.2096 22.1774 -21.2962 -20.5611 -21.2962 -5.41042 GPRESSAVG: 1842000 -40.1035 -19.0085 -20.8755 -21.5512 22.2224 -20.2477 -21.1638 -21.7342 -4.21813 TIMING: 1842000 CPU: 5554.74, 0.00298933/step Wall: 5554.74, 0.00298933/step, 2.62231 hours remaining, 209.582031 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: 1842000 717.2784 2017.3985 1903.7127 108.2941 -206370.1045 17841.8247 0.0000 0.0000 34304.2024 -149477.3937 299.5871 -183781.5961 -149380.8725 299.0992 0.3382 35.1090 558710.4963 -7.3238 -7.3664 PRESSURE: 1842200 71.0112 -42.4356 95.8362 -42.4353 -77.4795 -139.466 95.8367 -139.464 62.269 GPRESSURE: 1842200 53.0925 -26.5992 73.5662 8.00676 -5.20054 -154.783 65.4136 -92.3797 113.4 PRESSAVG: 1842200 6.93055 10.7896 44.9423 10.7895 -3.8204 -31.7762 44.9422 -31.7761 20.9175 GPRESSAVG: 1842200 7.61568 7.79864 46.018 12.5636 -3.97547 -33.751 44.5565 -29.8961 20.3032 TIMING: 1842200 CPU: 5555.34, 0.00299708/step Wall: 5555.34, 0.00299708/step, 2.62894 hours remaining, 209.582031 MB of memory in use. ENERGY: 1842200 739.5275 2058.6725 1910.2133 120.5968 -206419.6295 17931.1806 0.0000 0.0000 34209.9164 -149449.5225 298.7637 -183659.4389 -149357.6861 298.4887 18.6003 53.7639 556620.5409 8.0092 7.9811 PRESSURE: 1842400 -416.945 131.967 -25.4026 131.967 32.0481 -114.015 -25.4031 -114.015 41.932 GPRESSURE: 1842400 -357.493 155.892 -71.7516 125.546 84.9873 -36.4431 -22.9574 -166.961 20.358 PRESSAVG: 1842400 51.8154 4.33669 9.06493 4.3366 14.7792 -8.56256 9.06492 -8.5626 -25.7291 GPRESSAVG: 1842400 52.1427 5.67516 9.29194 4.02603 16.1375 -9.70219 9.16053 -8.62084 -27.5334 TIMING: 1842400 CPU: 5555.94, 0.00301015/step Wall: 5555.94, 0.00301015/step, 2.64024 hours remaining, 209.582031 MB of memory in use. ENERGY: 1842400 775.7824 2124.1449 1951.5287 123.5305 -206200.7014 17723.1052 0.0000 0.0000 34377.2734 -149125.3362 300.2253 -183502.6096 -149030.1843 298.8264 -114.3216 -84.0491 559107.5575 13.6218 13.5823 PRESSURE: 1842600 483.859 -26.5078 -176.575 -26.5058 -61.7399 205.803 -176.575 205.803 58.012 GPRESSURE: 1842600 435.98 -15.8888 -222.058 -24.2663 -21.6936 152.933 -119.739 238.384 175.792 PRESSAVG: 1842600 22.9105 34.591 -21.3236 34.591 9.4003 -8.68276 -21.3237 -8.68282 -30.849 GPRESSAVG: 1842600 23.6482 33.4892 -21.8742 34.9209 9.08157 -6.18065 -21.1288 -9.49791 -31.5085 TIMING: 1842600 CPU: 5556.53, 0.00297716/step Wall: 5556.53, 0.00297716/step, 2.61113 hours remaining, 209.582031 MB of memory in use. ENERGY: 1842600 723.2357 2116.4855 1900.8998 111.7301 -206344.4972 18054.7966 0.0000 0.0000 34334.1960 -149103.1536 299.8491 -183437.3496 -149006.8389 298.8648 160.0437 196.6928 557107.7065 0.4873 0.4071 PRESSURE: 1842800 -245.044 31.0662 142.788 31.0667 -182.527 54.1815 142.788 54.1821 -203.415 GPRESSURE: 1842800 -186.254 45.6125 144.37 54.2045 -187.72 -12.542 146.496 106.099 -158.658 PRESSAVG: 1842800 -5.81335 -27.6375 -7.7376 -27.6375 26.3269 12.1376 -7.73767 12.1376 -34.6129 GPRESSAVG: 1842800 -6.85096 -25.6227 -6.38916 -28.6826 27.3617 11.4501 -10.6493 12.1973 -34.1608 TIMING: 1842800 CPU: 5557.14, 0.00303129/step Wall: 5557.14, 0.00303129/step, 2.65844 hours remaining, 209.582031 MB of memory in use. ENERGY: 1842800 772.7501 2022.1483 1936.3027 114.9367 -206125.0105 17713.1777 0.0000 0.0000 34344.9159 -149220.7792 299.9427 -183565.6951 -149121.3578 299.1296 -210.3288 -177.5436 557481.6209 -4.6998 -4.5500 PRESSURE: 1843000 10.4421 -106.385 20.8218 -106.385 -389.382 259.594 20.8221 259.594 61.0534 GPRESSURE: 1843000 26.0779 -190.099 95.1131 -140.173 -336.107 228.627 14.2842 210.821 79.6001 PRESSAVG: 1843000 -12.8232 -55.4217 23.2771 -55.4216 43.4984 59.6883 23.2772 59.6884 -7.32674 GPRESSAVG: 1843000 -13.2042 -54.8852 21.3131 -54.0941 43.401 58.9223 26.0823 61.6484 -6.95427 TIMING: 1843000 CPU: 5557.75, 0.00302858/step Wall: 5557.75, 0.00302858/step, 2.6559 hours remaining, 209.582031 MB of memory in use. ENERGY: 1843000 780.8203 2103.2607 1926.2937 115.4393 -206136.9141 17906.4894 0.0000 0.0000 34185.6612 -149118.9496 298.5519 -183304.6108 -149025.6280 299.3678 -105.9622 -76.8096 559589.7983 7.7828 7.7475 PRESSURE: 1843200 -117.298 -161.953 51.2587 -161.953 68.2219 91.0115 51.2589 91.0109 42.2899 GPRESSURE: 1843200 -91.4759 -233.856 15.5037 -28.768 95.7372 51.988 63.3377 121.862 83.6551 PRESSAVG: 1843200 43.8417 -17.7946 27.8626 -17.7946 26.6081 25.5075 27.8625 25.5074 -79.1867 GPRESSAVG: 1843200 43.7803 -17.7311 25.5791 -17.1671 26.4661 25.937 29.0987 23.6387 -79.1523 TIMING: 1843200 CPU: 5558.36, 0.003066/step Wall: 5558.36, 0.003066/step, 2.68854 hours remaining, 209.582031 MB of memory in use. ENERGY: 1843200 735.2672 2060.9024 1925.7657 120.2653 -206060.5003 17894.2960 0.0000 0.0000 34208.6481 -149115.3556 298.7526 -183324.0037 -149013.2433 299.1323 -2.2620 29.3054 559137.6381 -2.9123 -2.9686 PRESSURE: 1843400 -79.8626 23.0357 75.528 23.0342 107.52 58.1211 75.5276 58.1223 -144.527 GPRESSURE: 1843400 -57.486 29.9854 61.216 -17.9682 161.707 170.736 57.7314 67.8289 -123.619 PRESSAVG: 1843400 45.0566 -13.5913 -11.3857 -13.5913 -16.7908 -15.2194 -11.3857 -15.2195 -38.6055 GPRESSAVG: 1843400 44.8314 -12.5627 -10.1067 -15.1338 -17.4247 -14.165 -12.5445 -14.7069 -37.4797 TIMING: 1843400 CPU: 5558.96, 0.00302304/step Wall: 5558.96, 0.00302304/step, 2.6507 hours remaining, 209.582031 MB of memory in use. ENERGY: 1843400 721.8737 2115.0399 1955.3233 114.8876 -206146.4944 17917.0657 0.0000 0.0000 34054.8290 -149267.4752 297.4093 -183322.3042 -149174.7724 299.6220 -38.9566 -6.4661 558910.5604 -3.4466 -3.3576 PRESSURE: 1843600 -51.1962 -145.122 -56.5864 -145.123 -122.003 -20.3538 -56.5867 -20.3552 243.922 GPRESSURE: 1843600 -19.5196 -118.396 -117.005 -103.818 -33.6178 35.7271 -16.0497 -17.7195 230.495 PRESSAVG: 1843600 -36.5901 -29.9178 0.820004 -29.9177 -11.4009 48.1542 0.820007 48.1541 68.1196 GPRESSAVG: 1843600 -35.2666 -32.5061 0.746796 -29.0912 -12.8102 46.1163 1.00679 49.5531 67.8573 TIMING: 1843600 CPU: 5559.56, 0.00299561/step Wall: 5559.56, 0.00299561/step, 2.62648 hours remaining, 209.582031 MB of memory in use. ENERGY: 1843600 757.8573 2062.3034 1916.8282 108.2506 -206442.4955 18017.7064 0.0000 0.0000 34252.2936 -149327.2559 299.1338 -183579.5495 -149228.1305 299.4745 23.5743 59.1191 558808.0614 6.7095 6.5935 PRESSURE: 1843800 -210.828 87.1178 -7.22334 87.1181 147.067 195.667 -7.2233 195.667 31.3194 GPRESSURE: 1843800 -176.875 104.968 69.5917 136.845 195.75 131.571 2.79214 194.319 39.0528 PRESSAVG: 1843800 -2.90732 9.23771 -12.1956 9.23768 44.6914 -1.5155 -12.1957 -1.51546 -42.302 GPRESSAVG: 1843800 -1.99473 11.3734 -12.5697 9.6044 44.8374 -2.60392 -10.5215 -2.23819 -42.6426 TIMING: 1843800 CPU: 5560.16, 0.00298704/step Wall: 5560.16, 0.00298704/step, 2.6188 hours remaining, 209.582031 MB of memory in use. ENERGY: 1843800 757.8404 2089.9346 1928.5678 100.2047 -206124.2062 17716.1232 0.0000 0.0000 34222.1782 -149309.3572 298.8708 -183531.5354 -149213.3739 298.1813 -10.8137 19.3093 556740.8496 -0.1726 0.0667 PRESSURE: 1844000 55.6165 26.8265 -141.114 26.8261 53.1208 86.856 -141.114 86.8561 -306.916 GPRESSURE: 1844000 83.1779 67.892 -33.568 17.316 44.8727 66.9265 -209.347 116.359 -224.286 PRESSAVG: 1844000 -60.972 -39.5793 17.3334 -39.5793 76.3308 95.3033 17.3334 95.3034 -31.1567 GPRESSAVG: 1844000 -61.4624 -40.3017 18.4569 -39.3307 76.5622 97.8884 17.4205 93.0638 -30.7589 TIMING: 1844000 CPU: 5560.76, 0.00300056/step Wall: 5560.76, 0.00300056/step, 2.63049 hours remaining, 209.582031 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: 1844000 722.8645 2090.6297 1925.0871 121.8233 -205928.3065 17703.3280 0.0000 0.0000 34120.2454 -149244.3286 297.9806 -183364.5740 -149150.2410 299.0284 -66.0595 -32.0783 557264.5373 -5.2660 -5.2197 PRESSURE: 1844200 9.30392 18.5684 19.1774 18.5675 -5.13692 27.8343 19.1782 27.8343 196.656 GPRESSURE: 1844200 40.3577 34.5596 102.679 57.0058 5.77343 -27.699 22.3076 107.499 245.767 PRESSAVG: 1844200 53.9415 39.3259 -43.678 39.3259 -52.4969 -10.3173 -43.678 -10.3173 10.771 GPRESSAVG: 1844200 53.1704 39.062 -46.0894 38.8272 -52.5526 -11.9546 -42.1953 -8.56359 11.316 TIMING: 1844200 CPU: 5561.36, 0.00299288/step Wall: 5561.36, 0.00299288/step, 2.6236 hours remaining, 209.582031 MB of memory in use. ENERGY: 1844200 698.3020 2095.1190 1946.7864 107.0394 -206507.8318 17958.0407 0.0000 0.0000 34245.6908 -149456.8537 299.0761 -183702.5444 -149363.5826 298.9977 66.9409 97.2993 557532.5905 4.0719 3.9779 LDB: ============= START OF LOAD BALANCING ============== 5564.88 LDB: ============== END OF LOAD BALANCING =============== 5564.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5564.88 LDB: ============= START OF LOAD BALANCING ============== 5565.18 LDB: Largest compute 4800 load 0.030646 is 26.0% of average load 0.118041 LDB: Average compute 0.001724 is 1.5% of average load 0.118041 LDB: TIME 5565.18 LOAD: AVG 0.118041 MAX 0.21066 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.504 MB LDB: TIME 5565.18 LOAD: AVG 0.118041 MAX 0.21066 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.707 MB LDB: TIME 5565.18 LOAD: AVG 0.118041 MAX 0.21066 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.707 MB LDB: ============== END OF LOAD BALANCING =============== 5565.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5565.18 PRESSURE: 1844400 -410.359 -49.4504 132.602 -49.4511 -321.728 33.1966 132.603 33.198 36.4908 GPRESSURE: 1844400 -364.669 -113.462 169.546 15.5786 -293.367 70.8994 83.9644 8.22623 58.9362 PRESSAVG: 1844400 13.1995 83.5938 -45.7468 83.5938 27.7617 15.0655 -45.7469 15.0654 -6.55688 GPRESSAVG: 1844400 12.8529 83.6782 -44.2791 83.6431 28.5912 16.323 -48.3834 13.5513 -6.98019 TIMING: 1844400 CPU: 5561.97, 0.00304948/step Wall: 5561.97, 0.00304948/step, 2.67303 hours remaining, 208.269531 MB of memory in use. ENERGY: 1844400 765.7255 2069.3910 1946.4278 105.4070 -205917.3464 17439.5032 0.0000 0.0000 34320.9203 -149269.9715 299.7331 -183590.8918 -149177.5122 299.5584 -231.8654 -199.7000 558023.3577 11.4681 11.4880 PRESSURE: 1844600 -20.8096 47.3569 -6.90243 47.3563 20.4698 -53.56 -6.90127 -53.5594 -44.3602 GPRESSURE: 1844600 46.9871 67.4341 3.73069 120.101 47.3839 -69.762 23.1185 -78.9584 -30.3373 PRESSAVG: 1844600 9.75698 31.8779 8.56697 31.8779 7.4709 -22.7799 8.56696 -22.7799 26.1735 GPRESSAVG: 1844600 10.3226 32.3965 9.77602 31.0524 7.52067 -24.8183 8.51222 -19.8508 25.5367 TIMING: 1844600 CPU: 5562.57, 0.00301505/step Wall: 5562.57, 0.00301505/step, 2.64269 hours remaining, 208.597656 MB of memory in use. ENERGY: 1844600 784.5119 2079.1033 1917.3906 114.6068 -206259.2669 17906.7621 0.0000 0.0000 34216.7365 -149240.1557 298.8233 -183456.8922 -149148.4113 298.7396 -14.9000 21.3446 558644.7784 14.4671 14.4600 PRESSURE: 1844800 175.169 -195.867 66.3756 -195.865 109.177 43.9023 66.3755 43.9019 -291.622 GPRESSURE: 1844800 226.813 -143.86 104.272 -215.473 154.493 -14.9821 -26.7996 28.9757 -288.148 PRESSAVG: 1844800 17.5477 9.79424 -9.56312 9.79424 3.06068 22.7167 -9.56324 22.7168 -47.2438 GPRESSAVG: 1844800 16.7689 9.46884 -8.98147 10.3057 2.13635 22.8474 -10.6329 20.3681 -45.6059 TIMING: 1844800 CPU: 5563.17, 0.0030032/step Wall: 5563.17, 0.0030032/step, 2.63214 hours remaining, 208.597656 MB of memory in use. ENERGY: 1844800 734.7288 2130.1072 1935.0353 114.7614 -206277.1837 17764.6155 0.0000 0.0000 34259.7740 -149338.1615 299.1991 -183597.9356 -149242.1820 298.8298 -2.4257 31.0525 557929.2988 -8.8785 -8.9002 PRESSURE: 1845000 -307.38 -32.6582 -38.3508 -32.6571 83.0112 -46.6013 -38.3512 -46.6017 30.5167 GPRESSURE: 1845000 -245.898 -62.3482 -61.2179 -46.5662 72.2246 -139.184 -108.29 -10.1531 80.0531 PRESSAVG: 1845000 -49.84 -40.8067 22.173 -40.8066 23.7754 5.79096 22.173 5.79092 40.0866 GPRESSAVG: 1845000 -49.9606 -42.9653 22.7522 -40.0281 25.1116 7.1342 21.9476 5.31568 38.636 TIMING: 1845000 CPU: 5563.77, 0.00296861/step Wall: 5563.77, 0.00296861/step, 2.60166 hours remaining, 208.597656 MB of memory in use. ENERGY: 1845000 736.0058 2055.4528 1935.1489 105.1298 -205989.4096 17576.5857 0.0000 0.0000 34117.9597 -149463.1270 297.9606 -183581.0867 -149364.0927 298.4774 -64.6175 -31.2068 557568.9657 4.6740 4.5957 PRESSURE: 1845200 -379.392 65.2517 86.2089 65.2513 105.954 -68.9941 86.2101 -68.9941 -50.9171 GPRESSURE: 1845200 -344.192 118.534 99.3723 7.17441 119.072 -2.48021 83.1489 -65.7462 3.3349 PRESSAVG: 1845200 40.0241 6.4674 -3.80125 6.46733 -3.61151 -35.2349 -3.80121 -35.2349 -36.5212 GPRESSAVG: 1845200 40.6314 7.79939 -6.00877 5.5343 -4.4318 -34.391 -2.88529 -34.917 -36.0612 TIMING: 1845200 CPU: 5564.36, 0.00295729/step Wall: 5564.36, 0.00295729/step, 2.59157 hours remaining, 208.597656 MB of memory in use. ENERGY: 1845200 733.3862 2088.0522 1949.3899 106.8813 -206201.3121 17827.4748 0.0000 0.0000 34207.3940 -149288.7337 298.7417 -183496.1277 -149194.0900 298.3649 -108.1181 -73.9286 558486.2777 -0.0362 0.0461 PRESSURE: 1845400 54.0579 -32.7364 53.5547 -32.7369 141.669 1.42439 53.5527 1.42538 -10.1691 GPRESSURE: 1845400 94.867 -57.856 61.3264 -80.058 160.196 -22.3502 89.7497 19.7389 35.1303 PRESSAVG: 1845400 -36.1521 2.55692 -34.6632 2.55691 93.4572 -29.5677 -34.6633 -29.5677 -9.98781 GPRESSAVG: 1845400 -35.7384 2.6823 -32.9889 1.71157 93.7448 -30.1504 -36.4293 -28.6381 -10.9161 TIMING: 1845400 CPU: 5564.96, 0.00299052/step Wall: 5564.96, 0.00299052/step, 2.62052 hours remaining, 208.597656 MB of memory in use. ENERGY: 1845400 743.2712 2077.1566 1900.7270 120.8678 -206185.4655 17771.5741 0.0000 0.0000 34280.7763 -149291.0925 299.3825 -183571.8688 -149198.1226 298.9556 61.8526 96.7309 556392.4807 15.7724 15.6968 PRESSURE: 1845600 -160.426 -3.95122 21.9335 -3.95214 -229.973 183.344 21.9336 183.343 202.687 GPRESSURE: 1845600 -139.803 14.6824 58.9631 -66.8106 -164.486 81.4737 28.4677 184.072 213.71 PRESSAVG: 1845600 -3.44071 -28.8403 -5.46385 -28.8403 -16.7421 41.1993 -5.46396 41.1993 4.18063 GPRESSAVG: 1845600 -4.29465 -28.4484 -6.35347 -27.6024 -16.0412 40.346 -3.28404 41.1756 4.52896 TIMING: 1845600 CPU: 5565.56, 0.00300125/step Wall: 5565.56, 0.00300125/step, 2.62976 hours remaining, 208.597656 MB of memory in use. ENERGY: 1845600 729.9588 2076.7327 1907.2044 109.1359 -206086.1991 17667.0559 0.0000 0.0000 34274.4339 -149321.6775 299.3272 -183596.1114 -149218.8883 298.6245 -62.5707 -30.1932 556078.4149 -5.3341 -5.2690 PRESSURE: 1845800 -305.684 -67.4853 113.15 -67.4871 -328.508 43.4487 113.149 43.4495 -375.588 GPRESSURE: 1845800 -337.194 -112.6 64.0562 -13.4556 -310.975 124.106 158.527 23.1157 -260.653 PRESSAVG: 1845800 29.3521 -16.4533 -50.1813 -16.4533 -15.1676 -29.1458 -50.1813 -29.1457 -8.99634 GPRESSAVG: 1845800 30.103 -16.9895 -50.8054 -18.6246 -14.9453 -30.2475 -48.4034 -29.0519 -9.98428 TIMING: 1845800 CPU: 5566.15, 0.00298634/step Wall: 5566.15, 0.00298634/step, 2.61654 hours remaining, 208.597656 MB of memory in use. ENERGY: 1845800 792.8552 2106.5206 1917.6776 117.5455 -206015.2519 17442.6187 0.0000 0.0000 34205.2355 -149432.7989 298.7228 -183638.0344 -149337.4656 298.4806 -336.5933 -302.9405 558014.4095 1.7294 1.7245 PRESSURE: 1846000 33.6887 -131.637 121.427 -131.637 3.75479 -41.5086 121.427 -41.5083 -144.278 GPRESSURE: 1846000 32.1958 -142.038 41.6342 -97.6982 60.8276 -13.633 147.012 -22.808 -95.687 PRESSAVG: 1846000 34.523 24.6589 29.2776 24.659 -27.5467 -19.3558 29.2776 -19.3557 -6.05303 GPRESSAVG: 1846000 34.983 23.0943 31.234 26.9244 -28.7718 -18.2429 28.2539 -20.3295 -5.05958 TIMING: 1846000 CPU: 5566.75, 0.00297885/step Wall: 5566.75, 0.00297885/step, 2.6098 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: 1846000 777.5721 2124.0522 1923.8059 124.9741 -206768.7191 18121.8197 0.0000 0.0000 34297.3438 -149399.1514 299.5272 -183696.4951 -149309.0354 298.4264 -35.6114 -0.8879 558109.8270 0.3078 0.3839 PRESSURE: 1846200 -124.681 -183.1 172.201 -183.101 -218.158 238.484 172.199 238.484 41.2331 GPRESSURE: 1846200 -35.9754 -151.053 205.354 -139.693 -160.023 290.219 116.562 127.891 -14.9078 PRESSAVG: 1846200 18.905 -70.6162 27.822 -70.6163 35.1229 -17.2458 27.8219 -17.2457 -51.936 GPRESSAVG: 1846200 18.2598 -69.0926 26.571 -70.789 36.1986 -16.4837 25.9669 -16.3377 -52.4712 TIMING: 1846200 CPU: 5567.35, 0.00300701/step Wall: 5567.35, 0.00300701/step, 2.63431 hours remaining, 208.800781 MB of memory in use. ENERGY: 1846200 723.6450 2126.1132 1945.4265 112.3389 -206212.2192 17806.2759 0.0000 0.0000 34054.7466 -149443.6731 297.4086 -183498.4197 -149346.5200 297.9852 -100.5351 -70.3021 557265.5204 0.6973 0.6624 PRESSURE: 1846400 258.461 -91.044 9.24163 -91.0443 116.581 -93.2881 9.24319 -93.2861 -205.466 GPRESSURE: 1846400 240.264 -32.3671 39.9058 -86.2755 168.8 -116.008 -28.0481 -41.8073 -143.441 PRESSAVG: 1846400 42.9754 -9.45891 -27.2106 -9.45885 -8.83757 -29.699 -27.2106 -29.6988 -31.8611 GPRESSAVG: 1846400 43.0466 -9.09939 -26.8906 -9.34345 -8.38836 -28.8955 -26.6793 -31.0146 -32.0337 TIMING: 1846400 CPU: 5567.95, 0.002979/step Wall: 5567.95, 0.002979/step, 2.6096 hours remaining, 208.800781 MB of memory in use. ENERGY: 1846400 743.1380 2073.0741 1925.4165 111.3488 -206405.5881 17969.5656 0.0000 0.0000 34012.6104 -149570.4348 297.0406 -183583.0452 -149470.7472 298.4086 56.5253 88.5410 556853.8821 0.7589 0.8748 PRESSURE: 1846600 -61.6374 200.562 1.79373 200.562 -345.141 47.8716 1.79396 47.8714 -181.728 GPRESSURE: 1846600 -59.4574 215.575 3.88571 206.8 -304.181 -52.8198 0.505431 45.1058 -138.498 PRESSAVG: 1846600 52.4997 -11.4002 14.1215 -11.4002 36.4332 -3.44155 14.1215 -3.44154 -79.9436 GPRESSAVG: 1846600 52.4503 -13.6885 12.6288 -12.2651 35.4848 -7.30145 15.3551 -0.117587 -78.9728 TIMING: 1846600 CPU: 5568.54, 0.00297731/step Wall: 5568.54, 0.00297731/step, 2.60796 hours remaining, 208.800781 MB of memory in use. ENERGY: 1846600 758.6605 2074.4922 1928.4219 97.1484 -206060.2941 17682.5538 0.0000 0.0000 34063.6854 -149455.3318 297.4866 -183519.0172 -149361.1376 298.6709 -196.1691 -167.3786 557521.2151 2.9964 2.9874 PRESSURE: 1846800 9.15108 -61.1829 28.7136 -61.1833 203.254 -43.2116 28.714 -43.2122 76.3121 GPRESSURE: 1846800 37.4433 -64.1496 57.2595 -141.373 241.61 -12.8667 -2.78419 -27.0194 95.7793 PRESSAVG: 1846800 70.9953 -31.1373 -49.4697 -31.1373 -2.98551 11.4027 -49.4696 11.4026 -18.8586 GPRESSAVG: 1846800 70.2325 -28.7629 -47.3376 -31.7671 -3.24428 14.3502 -49.6159 10.1427 -18.1056 TIMING: 1846800 CPU: 5569.14, 0.00298463/step Wall: 5569.14, 0.00298463/step, 2.6142 hours remaining, 208.800781 MB of memory in use. ENERGY: 1846800 756.7184 2076.9907 1951.0428 123.0162 -206413.6326 17993.8003 0.0000 0.0000 34158.4972 -149353.5670 298.3147 -183512.0643 -149256.5661 298.0606 96.2391 124.9441 555810.7179 16.3837 16.2942 PRESSURE: 1847000 -306.332 17.5019 37.2188 17.5001 -97.986 29.9883 37.2181 29.9881 -38.3545 GPRESSURE: 1847000 -279.814 58.076 0.029806 -55.837 -62.2727 16.6955 74.3866 1.72888 4.54661 PRESSAVG: 1847000 80.2846 -41.1335 -21.6724 -41.1335 -22.6319 25.5823 -21.6724 25.5822 -14.2248 GPRESSAVG: 1847000 80.8428 -42.4217 -24.1584 -39.3339 -22.5655 25.5842 -21.7691 24.2894 -14.1845 TIMING: 1847000 CPU: 5569.74, 0.00301027/step Wall: 5569.74, 0.00301027/step, 2.6365 hours remaining, 208.800781 MB of memory in use. ENERGY: 1847000 731.7386 2051.2188 1956.1383 123.1145 -206133.8593 17569.3497 0.0000 0.0000 34359.3727 -149342.9269 300.0689 -183702.2996 -149247.9764 298.3247 -147.5574 -112.5133 557844.5322 14.4760 14.6976 PRESSURE: 1847200 74.2513 188.151 -16.493 188.152 84.3513 86.3467 -16.4941 86.3473 -64.1517 GPRESSURE: 1847200 142.042 299.316 -23.5656 94.4602 105.452 128.392 11.9089 73.1277 -56.3562 PRESSAVG: 1847200 16.3311 11.0314 -10.2681 11.0316 76.5421 13.6593 -10.2681 13.6594 -41.9788 GPRESSAVG: 1847200 16.7232 12.3261 -8.8271 10.617 76.9695 12.4095 -12.0233 14.8754 -42.5635 TIMING: 1847200 CPU: 5570.34, 0.00299605/step Wall: 5570.34, 0.00299605/step, 2.62387 hours remaining, 208.800781 MB of memory in use. ENERGY: 1847200 709.3487 2049.0032 1929.0061 109.9977 -206273.3299 17891.2719 0.0000 0.0000 34083.9827 -149500.7197 297.6639 -183584.7024 -149403.6946 298.9971 31.4836 63.7126 557773.9553 16.9648 17.0431 PRESSURE: 1847400 83.0598 1.74531 6.54253 1.74559 -177.637 308.741 6.54201 308.741 -72.3437 GPRESSURE: 1847400 104.078 -18.3354 -36.6647 -78.6507 -88.2876 325.81 -38.6088 325.753 -77.0054 PRESSAVG: 1847400 24.9513 58.9131 -58.2363 58.9131 12.5079 18.6157 -58.2364 18.6157 -15.7317 GPRESSAVG: 1847400 26.1367 57.3916 -59.7425 56.9691 12.1328 18.01 -56.5133 18.0197 -16.0995 TIMING: 1847400 CPU: 5570.94, 0.00302113/step Wall: 5570.94, 0.00302113/step, 2.64567 hours remaining, 208.800781 MB of memory in use. ENERGY: 1847400 747.0289 2135.7781 1905.6478 107.0710 -206830.0966 18001.5593 0.0000 0.0000 34369.4558 -149563.5556 300.1570 -183933.0114 -149468.3568 298.9220 -55.6405 -20.4049 556747.9782 7.2425 7.3900 PRESSURE: 1847600 82.9465 -184.966 -36.4823 -184.964 -113.926 -16.0285 -36.4819 -16.0296 37.8502 GPRESSURE: 1847600 110.306 -101.832 -30.2023 -199.061 -87.577 -17.8218 -79.709 81.9964 84.4012 PRESSAVG: 1847600 -15.8168 -31.0966 9.14103 -31.0966 8.48945 8.71559 9.14117 8.71564 43.0429 GPRESSAVG: 1847600 -17.581 -30.5769 8.95744 -30.5176 9.56223 10.4657 8.84539 8.56327 44.0008 TIMING: 1847600 CPU: 5571.55, 0.00301007/step Wall: 5571.55, 0.00301007/step, 2.63582 hours remaining, 208.800781 MB of memory in use. ENERGY: 1847600 753.1944 2096.9796 1921.1471 109.9423 -206830.9629 18053.2344 0.0000 0.0000 34380.4108 -149516.0543 300.2527 -183896.4651 -149418.5581 298.8577 2.2903 35.7100 557214.5810 11.9052 11.9940 PRESSURE: 1847800 -340.039 -92.2026 -15.3905 -92.2047 -259.52 -50.8664 -15.3912 -50.8653 -321.441 GPRESSURE: 1847800 -309.908 -90.3086 -48.9256 -97.3141 -265.796 -53.6409 -43.1784 -50.8629 -231.435 PRESSAVG: 1847800 39.1583 -80.0574 -24.9096 -80.0574 11.766 40.9406 -24.9096 40.9407 18.2727 GPRESSAVG: 1847800 40.9839 -81.4621 -24.8896 -76.2193 9.75309 39.7236 -25.8113 40.0479 18.6219 TIMING: 1847800 CPU: 5572.15, 0.00300995/step Wall: 5572.15, 0.00300995/step, 2.63554 hours remaining, 208.800781 MB of memory in use. ENERGY: 1847800 749.7274 2080.5374 1953.1307 129.6604 -206128.2983 17456.0927 0.0000 0.0000 34125.7591 -149633.3907 298.0287 -183759.1498 -149544.9076 299.0111 -307.0001 -269.0465 558067.5421 23.0656 23.1196 PRESSURE: 1848000 79.649 -83.0829 102.438 -83.0821 -90.603 -79.9342 102.438 -79.9349 8.3711 GPRESSURE: 1848000 71.4458 -52.3028 100.918 -53.4662 -42.2719 59.2784 65.3517 -96.8334 68.7316 PRESSAVG: 1848000 -30.9095 7.01483 7.175 7.01492 2.96608 -6.64121 7.17501 -6.64115 -8.26193 GPRESSAVG: 1848000 -30.4282 9.13441 6.03479 4.81582 3.00328 -6.21675 9.37246 -7.01766 -8.80348 TIMING: 1848000 CPU: 5572.75, 0.00301924/step Wall: 5572.75, 0.00301924/step, 2.64351 hours remaining, 208.800781 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: 1848000 730.2431 2126.2099 1932.5338 109.2271 -206360.0262 17749.7641 0.0000 0.0000 34087.5113 -149624.5371 297.6947 -183712.0484 -149533.0092 298.0210 -0.8610 32.6352 556584.5794 -12.0684 -12.0761 PRESSURE: 1848200 93.2939 49.5602 32.4217 49.562 -15.4387 -76.9428 32.421 -76.9437 195.982 GPRESSURE: 1848200 85.9296 143.816 51.5207 44.8476 71.5296 -100.116 -4.26673 -58.8276 207.166 PRESSAVG: 1848200 -27.2525 -33.4236 39.2536 -33.4236 12.4384 -3.45327 39.2536 -3.4533 51.0976 GPRESSAVG: 1848200 -28.5417 -34.4559 40.5443 -34.5525 13.5961 -6.16986 37.6416 0.0352297 51.205 TIMING: 1848200 CPU: 5573.36, 0.0030235/step Wall: 5573.36, 0.0030235/step, 2.64707 hours remaining, 208.800781 MB of memory in use. ENERGY: 1848200 741.4572 2083.1642 1966.1096 133.0026 -206676.3357 18094.5772 0.0000 0.0000 33943.1390 -149714.8859 296.4339 -183658.0249 -149617.8254 298.3556 91.2790 121.5418 557957.6829 12.0945 12.0865 LDB: ============= START OF LOAD BALANCING ============== 5576.87 LDB: ============== END OF LOAD BALANCING =============== 5576.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5576.88 LDB: ============= START OF LOAD BALANCING ============== 5577.18 LDB: Largest compute 4800 load 0.030525 is 25.9% of average load 0.117971 LDB: Average compute 0.001726 is 1.5% of average load 0.117971 LDB: TIME 5577.18 LOAD: AVG 0.117971 MAX 0.209658 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.371 MB LDB: TIME 5577.18 LOAD: AVG 0.117971 MAX 0.209658 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.613 MB LDB: TIME 5577.18 LOAD: AVG 0.117971 MAX 0.209658 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.613 MB LDB: ============== END OF LOAD BALANCING =============== 5577.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5577.18 PRESSURE: 1848400 -91.4363 94.1008 124.01 94.1014 -10.3191 -20.11 124.011 -20.1093 199.803 GPRESSURE: 1848400 -53.2782 30.3691 96.36 101.533 3.23577 -39.3894 181.01 46.7871 250.009 PRESSAVG: 1848400 -17.8734 75.8869 33.1892 75.8869 -13.842 22.4737 33.1893 22.4736 10.8297 GPRESSAVG: 1848400 -16.8386 75.358 33.5372 77.3115 -14.5765 22.9783 32.4161 21.3334 10.7792 TIMING: 1848400 CPU: 5573.97, 0.00306027/step Wall: 5573.97, 0.00306027/step, 2.67909 hours remaining, 207.812500 MB of memory in use. ENERGY: 1848400 761.1863 2010.4717 1938.6727 110.8423 -206713.9854 18026.4018 0.0000 0.0000 34258.8353 -149607.5753 299.1909 -183866.4106 -149509.0259 297.4519 32.6825 66.6556 557162.8797 -6.9619 -6.8786 PRESSURE: 1848600 -192.711 34.227 76.9874 34.2278 -3.16493 111.478 76.9868 111.477 12.2524 GPRESSURE: 1848600 -176.184 148.695 119.668 62.755 23.3231 98.4772 32.0866 144.096 53.2228 PRESSAVG: 1848600 -14.8813 -9.54563 3.93353 -9.54571 -34.4841 25.9596 3.93338 25.9595 33.9918 GPRESSAVG: 1848600 -15.0032 -8.77487 3.62632 -9.2719 -35.3033 27.2256 3.1168 24.6644 34.684 TIMING: 1848600 CPU: 5574.57, 0.00302747/step Wall: 5574.57, 0.00302747/step, 2.65022 hours remaining, 207.882812 MB of memory in use. ENERGY: 1848600 732.7529 2102.7526 1933.1136 122.0004 -206360.7654 17767.8046 0.0000 0.0000 34216.0151 -149486.3262 298.8170 -183702.3413 -149390.0535 298.0001 -61.2078 -33.2126 557967.8890 -5.1246 -5.2075 PRESSURE: 1848800 -90.49 -27.9584 -91.6919 -27.9572 2.85985 -167.391 -91.693 -167.391 57.6069 GPRESSURE: 1848800 -34.9703 -37.9653 -14.2298 -3.9799 91.7264 -209.468 -99.6985 -81.3367 22.1364 PRESSAVG: 1848800 -23.1662 7.47499 22.3096 7.47503 -25.6977 64.8092 22.3095 64.8092 36.9448 GPRESSAVG: 1848800 -23.3526 7.8929 22.2678 5.89711 -24.2983 65.9354 22.1734 64.2994 35.2823 TIMING: 1848800 CPU: 5575.18, 0.0030282/step Wall: 5575.18, 0.0030282/step, 2.65068 hours remaining, 207.882812 MB of memory in use. ENERGY: 1848800 723.8585 2076.5057 1947.7472 109.8078 -206073.1140 17680.4401 0.0000 0.0000 34162.8438 -149371.9110 298.3526 -183534.7549 -149274.2826 299.5638 -10.0078 26.2975 556355.6083 -3.9730 -4.1228 PRESSURE: 1849000 -8.62571 -24.1856 111.998 -24.186 -89.9081 -44.8174 111.998 -44.8175 -69.1662 GPRESSURE: 1849000 16.8273 0.123857 70.071 -59.1155 -32.8809 21.8014 116.401 -23.2017 -52.0028 PRESSAVG: 1849000 -22.2271 -18.838 42.4905 -18.838 79.9686 -8.99275 42.4905 -8.99281 5.28048 GPRESSAVG: 1849000 -21.7049 -18.7707 41.5795 -16.8571 78.7482 -11.2973 44.1111 -5.56508 5.53701 TIMING: 1849000 CPU: 5575.78, 0.00299379/step Wall: 5575.78, 0.00299379/step, 2.6204 hours remaining, 207.882812 MB of memory in use. ENERGY: 1849000 741.1924 2110.3021 1937.6126 112.0030 -206011.9451 17547.4154 0.0000 0.0000 34092.7331 -149470.6864 297.7403 -183563.4195 -149372.3646 298.5337 -55.9000 -22.6855 556925.0344 21.0073 20.8601 PRESSURE: 1849200 73.1877 252.451 -99.2936 252.451 -126.098 -52.9432 -99.2923 -52.9424 274.805 GPRESSURE: 1849200 67.0172 264.637 -108.391 162.645 -41.5632 19.6017 -126.888 -66.2912 275.12 PRESSAVG: 1849200 -11.0239 33.6201 -52.5113 33.62 -34.3706 22.7017 -52.5112 22.7016 37.9863 GPRESSAVG: 1849200 -12.582 33.9143 -51.284 32.4831 -33.6673 24.1222 -52.1541 21.3232 38.5128 TIMING: 1849200 CPU: 5576.38, 0.00300717/step Wall: 5576.38, 0.00300717/step, 2.63194 hours remaining, 207.882812 MB of memory in use. ENERGY: 1849200 735.2856 2109.4184 1919.8736 114.3611 -206032.5385 17631.3114 0.0000 0.0000 34141.3262 -149380.9622 298.1647 -183522.2884 -149286.5126 298.0239 73.9649 100.1914 556304.2580 -2.4694 -2.5788 PRESSURE: 1849400 160.25 -47.8571 89.7242 -47.8567 -159.926 29.3462 89.7245 29.3476 95.7915 GPRESSURE: 1849400 166.155 -69.2719 18.6077 -6.07106 -78.447 108.533 129.943 28.3301 99.9675 PRESSAVG: 1849400 18.5305 -13.6203 -34.8846 -13.6203 -98.9805 31.976 -34.8846 31.976 40.0789 GPRESSAVG: 1849400 18.7803 -14.6509 -36.7942 -11.8637 -98.9965 29.8355 -36.3983 31.7014 39.6966 TIMING: 1849400 CPU: 5576.98, 0.00299538/step Wall: 5576.98, 0.00299538/step, 2.62146 hours remaining, 207.882812 MB of memory in use. ENERGY: 1849400 757.4738 2053.8490 1926.0157 110.7889 -206216.0381 17913.9711 0.0000 0.0000 34289.7477 -149164.1920 299.4609 -183453.9397 -149068.9755 298.9431 32.0387 62.5585 556671.1202 -13.4571 -13.5065 PRESSURE: 1849600 -180.141 -106.676 192.64 -106.675 -143.669 -39.5706 192.642 -39.5698 -127.133 GPRESSURE: 1849600 -174.995 -41.8638 118.135 -120.123 -89.2398 -35.1319 136.443 10.3324 -101.742 PRESSAVG: 1849600 -61.2056 21.3653 -9.62118 21.3652 13.4186 -51.3274 -9.62127 -51.3275 59.299 GPRESSAVG: 1849600 -62.3852 24.3628 -8.9973 19.7691 12.908 -50.3718 -9.48162 -50.8349 60.7849 TIMING: 1849600 CPU: 5577.58, 0.0029918/step Wall: 5577.58, 0.0029918/step, 2.61815 hours remaining, 207.882812 MB of memory in use. ENERGY: 1849600 776.3502 2050.9349 1931.4466 106.5108 -205914.9204 17721.0783 0.0000 0.0000 34158.1325 -149170.4671 298.3115 -183328.5996 -149071.4876 299.4409 -150.3141 -121.9921 558145.5736 3.8373 3.7693 PRESSURE: 1849800 165.346 -68.9279 -117.391 -68.9265 -84.1729 -116.492 -117.393 -116.492 -131.047 GPRESSURE: 1849800 187.471 -31.5875 7.91769 -82.6237 -27.1821 -203.812 -117.827 -146.228 -111.825 PRESSAVG: 1849800 -38.8674 7.02939 -24.7448 7.02934 25.6493 20.65 -24.7448 20.65 11.3106 GPRESSAVG: 1849800 -38.5208 5.26414 -21.7472 6.63614 25.762 21.6607 -24.0964 19.1664 11.0218 TIMING: 1849800 CPU: 5578.18, 0.00299484/step Wall: 5578.18, 0.00299484/step, 2.62065 hours remaining, 207.882812 MB of memory in use. ENERGY: 1849800 733.0606 2083.7626 1934.3366 111.4984 -206077.5702 17772.2011 0.0000 0.0000 34362.2176 -149080.4933 300.0938 -183442.7109 -148985.3203 299.9209 -16.6246 16.1547 558692.1247 -0.6358 -0.5790 PRESSURE: 1850000 -328.25 -84.9126 0.591946 -84.9134 102.566 41.0223 0.590868 41.0222 -79.143 GPRESSURE: 1850000 -357.76 -104.931 64.0457 -77.5326 195.332 22.6994 -28.0368 19.7026 -41.4674 PRESSAVG: 1850000 -12.3427 34.4301 55.3262 34.4302 11.5551 -0.725649 55.3262 -0.725628 -12.6055 GPRESSAVG: 1850000 -12.2593 33.8772 52.3791 35.597 11.0882 -0.516874 54.338 0.392369 -12.8336 TIMING: 1850000 CPU: 5578.78, 0.00300965/step Wall: 5578.78, 0.00300965/step, 2.63344 hours remaining, 207.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1850000 777.8633 2120.5629 1909.3052 125.9123 -206324.6270 17815.3804 0.0000 0.0000 34297.9680 -149277.6349 299.5327 -183575.6029 -149183.3377 298.9957 -101.6089 -67.9650 558159.7727 -4.4644 -4.6682 PRESSURE: 1850200 -374.182 55.2848 157.798 55.285 -325.043 -20.5017 157.799 -20.5017 -344.099 GPRESSURE: 1850200 -355.21 38.3565 218.443 97.425 -266.991 -42.2916 128.114 87.7024 -330.75 PRESSAVG: 1850200 -33.4479 -13.1976 22.4262 -13.1976 29.4684 -24.5217 22.4261 -24.5217 -11.5179 GPRESSAVG: 1850200 -33.9491 -12.0721 23.8858 -14.6445 29.5316 -25.8262 23.1369 -23.3923 -10.9376 TIMING: 1850200 CPU: 5579.38, 0.00303587/step Wall: 5579.38, 0.00303587/step, 2.65622 hours remaining, 207.882812 MB of memory in use. ENERGY: 1850200 783.1097 2098.5317 1935.9629 111.8973 -205651.0235 17353.8797 0.0000 0.0000 34193.9621 -149173.6800 298.6244 -183367.6422 -149074.1468 299.2530 -347.7749 -317.6504 558436.9583 -5.1658 -5.1184 PRESSURE: 1850400 -186.371 17.318 -91.1681 17.3196 145.347 36.6717 -91.1682 36.6702 -222.213 GPRESSURE: 1850400 -137.717 28.406 -118.863 -12.3703 164.449 -29.8916 -42.0147 9.85072 -186.279 PRESSAVG: 1850400 62.4729 39.6944 36.1069 39.6944 -15.5048 10.897 36.1068 10.897 -37.711 GPRESSAVG: 1850400 64.0491 38.5935 34.3741 40.6438 -15.693 11.7085 35.9291 9.23784 -39.0799 TIMING: 1850400 CPU: 5580, 0.00305448/step Wall: 5580, 0.00305448/step, 2.67233 hours remaining, 207.882812 MB of memory in use. ENERGY: 1850400 755.8362 2061.3422 1949.8443 113.3092 -205689.1107 17690.9023 0.0000 0.0000 34012.7533 -149105.1233 297.0418 -183117.8766 -149012.4995 299.8735 -87.7456 -53.1823 558285.3235 3.0857 3.0921 PRESSURE: 1850600 -219.182 2.02251 -216.307 2.02189 -258.342 -5.41697 -216.308 -5.41436 -276.774 GPRESSURE: 1850600 -214.528 -22.9408 -205.89 59.2038 -159.546 75.4137 -207.441 -58.3715 -275.062 PRESSAVG: 1850600 -3.32012 54.4775 -51.8144 54.4775 -4.54221 -45.5698 -51.8144 -45.5698 -6.69975 GPRESSAVG: 1850600 -3.20627 54.6326 -50.7383 53.626 -4.04094 -45.3269 -51.3873 -47.1545 -7.11341 TIMING: 1850600 CPU: 5580.61, 0.00305933/step Wall: 5580.61, 0.00305933/step, 2.6764 hours remaining, 207.882812 MB of memory in use. ENERGY: 1850600 757.3067 2134.8082 1952.6100 116.8658 -205986.5227 17543.0642 0.0000 0.0000 34334.9434 -149146.9243 299.8556 -183481.8678 -149059.1375 299.9378 -251.4329 -216.3785 560048.2431 -4.8540 -4.7869 PRESSURE: 1850800 -225.341 -89.4697 -3.29059 -89.4682 -70.2571 78.8156 -3.29084 78.815 -190.746 GPRESSURE: 1850800 -212.566 -89.2881 46.6905 -103.522 -29.5104 74.9298 -41.0861 36.6566 -135.417 PRESSAVG: 1850800 -44.6813 19.5625 -1.57729 19.5626 17.5322 34.5696 -1.57727 34.5696 18.0999 GPRESSAVG: 1850800 -45.7265 19.8556 -0.684352 20.1428 18.8268 34.5094 -1.29991 33.8826 17.7451 TIMING: 1850800 CPU: 5581.21, 0.00300929/step Wall: 5581.21, 0.00300929/step, 2.63246 hours remaining, 207.882812 MB of memory in use. ENERGY: 1850800 770.9651 2096.3013 1940.1510 116.1106 -205886.8329 17663.9399 0.0000 0.0000 34287.8857 -149011.4794 299.4446 -183299.3652 -148914.3217 299.9593 -162.1149 -125.8312 559014.3655 -3.0164 -3.0515 PRESSURE: 1851000 -54.3561 -94.0568 54.195 -94.0552 -209.796 88.0871 54.1962 88.0874 -263.935 GPRESSURE: 1851000 -44.7892 -92.8569 153.523 -90.2404 -169.222 28.8517 30.1124 75.3096 -213.244 PRESSAVG: 1851000 -10.3186 -3.09331 -12.0187 -3.09333 -33.5944 -10.8472 -12.0187 -10.8472 54.309 GPRESSAVG: 1851000 -8.68904 -3.68092 -12.7298 -4.03098 -36.0564 -12.6213 -12.5776 -8.02774 55.5595 TIMING: 1851000 CPU: 5581.82, 0.00303332/step Wall: 5581.82, 0.00303332/step, 2.65331 hours remaining, 207.882812 MB of memory in use. ENERGY: 1851000 718.8912 2091.7380 1930.0258 122.7458 -205972.9712 17653.1736 0.0000 0.0000 34348.5756 -149107.8212 299.9747 -183456.3968 -149005.2880 299.8244 -176.0289 -142.4184 558368.1348 3.4653 3.6047 PRESSURE: 1851200 -94.5533 -17.4746 -11.6899 -17.4739 -107.506 -121.052 -11.6915 -121.052 37.5495 GPRESSURE: 1851200 2.62782 71.4257 -17.0049 -56.4596 -106.127 -148.406 60.7898 -71.7664 46.2784 PRESSAVG: 1851200 48.7614 4.86966 0.941702 4.86959 -35.5219 -15.2695 0.941744 -15.2696 -17.512 GPRESSAVG: 1851200 49.5065 5.38481 0.726119 6.68181 -34.0127 -13.5235 1.21419 -15.1579 -19.356 TIMING: 1851200 CPU: 5582.42, 0.00303307/step Wall: 5582.42, 0.00303307/step, 2.65293 hours remaining, 207.882812 MB of memory in use. ENERGY: 1851200 720.2350 2061.8443 1942.2614 116.5741 -206181.1889 17758.3404 0.0000 0.0000 34521.4179 -149060.5158 301.4841 -183581.9337 -148964.5473 299.3612 -54.8366 -19.0738 558541.6381 -1.4242 -1.2874 PRESSURE: 1851400 152.739 13.5029 -76.0407 13.504 63.6355 -56.9368 -76.0419 -56.9373 110.586 GPRESSURE: 1851400 138.787 99.0867 -24.7091 -2.64747 90.6734 -26.8211 -132.123 -84.7838 188.617 PRESSAVG: 1851400 95.2069 17.3066 -20.8169 17.3066 -59.5796 35.1839 -20.8169 35.184 -6.7359 GPRESSAVG: 1851400 95.1004 16.2059 -19.8839 18.2345 -60.3105 34.5374 -22.4844 33.7587 -5.62324 TIMING: 1851400 CPU: 5583.03, 0.00303693/step Wall: 5583.03, 0.00303693/step, 2.65614 hours remaining, 207.882812 MB of memory in use. ENERGY: 1851400 717.5609 2033.8650 1970.1197 123.8798 -206398.0198 18080.2067 0.0000 0.0000 34258.7321 -149213.6557 299.1900 -183472.3878 -149122.8669 299.6452 108.9867 139.3593 558949.4862 9.6305 9.7222 PRESSURE: 1851600 -1.4522 177.335 -73.5898 177.336 -166.402 72.7025 -73.5906 72.7048 123.815 GPRESSURE: 1851600 96.5229 165.107 -96.6134 160.069 -151.022 99.0471 -52.5819 43.2431 119.342 PRESSAVG: 1851600 34.6989 44.7593 15.6314 44.7594 -29.2763 -10.2332 15.6314 -10.2332 -9.62457 GPRESSAVG: 1851600 33.5282 45.9632 15.2465 43.9794 -28.1988 -10.6067 15.0854 -10.1713 -9.12857 TIMING: 1851600 CPU: 5583.63, 0.00302031/step Wall: 5583.63, 0.00302031/step, 2.64143 hours remaining, 207.882812 MB of memory in use. ENERGY: 1851600 766.5429 2048.2849 1976.0357 112.4020 -206417.7066 17943.8836 0.0000 0.0000 34371.0852 -149199.4723 300.1712 -183570.5575 -149100.0676 298.5925 -14.6799 21.6144 557501.2170 -1.4006 -1.2664 PRESSURE: 1851800 120.553 139.717 30.6818 139.717 -98.6639 138.686 30.6815 138.688 -156.23 GPRESSURE: 1851800 166.061 61.2314 74.4201 112.044 -62.6879 116.557 17.6998 128.249 -143.104 PRESSAVG: 1851800 67.2411 20.9026 3.80488 20.9026 23.8596 20.1116 3.80488 20.1116 -63.8456 GPRESSAVG: 1851800 66.9601 22.6229 5.50117 18.3799 24.2947 19.9837 5.22106 19.7075 -64.0009 TIMING: 1851800 CPU: 5584.24, 0.00305189/step Wall: 5584.24, 0.00305189/step, 2.66888 hours remaining, 207.882812 MB of memory in use. ENERGY: 1851800 759.7076 2082.5007 1938.7706 96.2364 -205708.9821 17624.7859 0.0000 0.0000 34107.9206 -149099.0603 297.8730 -183206.9809 -149008.9780 299.2475 -44.7803 -13.2439 557113.6643 9.0850 9.0846 PRESSURE: 1852000 124.265 1.46766 -62.4216 1.46694 -92.0812 103.334 -62.4205 103.333 148.172 GPRESSURE: 1852000 146.9 154.322 -97.6341 -84.4527 -46.2981 135.663 -60.4895 111.404 183.947 PRESSAVG: 1852000 26.5726 -13.0673 20.6672 -13.0673 -61.0413 19.2653 20.6672 19.2654 6.25319 GPRESSAVG: 1852000 27.0594 -11.8937 18.5778 -13.0189 -61.8742 18.283 20.5187 19.7733 6.38939 TIMING: 1852000 CPU: 5584.86, 0.00306137/step Wall: 5584.86, 0.00306137/step, 2.677 hours remaining, 207.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1852000 719.3402 2047.7278 1936.4525 118.6363 -206191.2170 17946.4124 0.0000 0.0000 34391.8845 -149030.7634 300.3529 -183422.6479 -148927.6831 299.1388 60.1185 94.8497 557269.9330 -9.4052 -9.4752 PRESSURE: 1852200 -45.256 -84.7815 -98.8952 -84.7825 126.419 -76.7883 -98.894 -76.7876 -244.987 GPRESSURE: 1852200 -45.0855 -88.4154 -106.515 -13.8338 129.47 -47.939 -94.975 -46.7553 -135.563 PRESSAVG: 1852200 6.4369 -55.5152 -28.4796 -55.5153 -3.80447 -25.6235 -28.4795 -25.6235 39.0364 GPRESSAVG: 1852200 7.4922 -57.2787 -30.216 -53.384 -4.23165 -24.1184 -26.6493 -26.1585 37.8571 TIMING: 1852200 CPU: 5585.47, 0.00305505/step Wall: 5585.47, 0.00305505/step, 2.6713 hours remaining, 207.882812 MB of memory in use. ENERGY: 1852200 763.7275 2055.6382 1958.9492 118.6613 -206361.5386 17949.3493 0.0000 0.0000 34536.4280 -148978.7850 301.6152 -183515.2130 -148876.1775 299.9579 -54.6082 -17.0594 557845.3379 13.8896 13.7059 LDB: ============= START OF LOAD BALANCING ============== 5588.99 LDB: ============== END OF LOAD BALANCING =============== 5588.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5588.99 LDB: ============= START OF LOAD BALANCING ============== 5589.29 LDB: Largest compute 4800 load 0.030022 is 25.4% of average load 0.118073 LDB: Average compute 0.001732 is 1.5% of average load 0.118073 LDB: TIME 5589.29 LOAD: AVG 0.118073 MAX 0.213148 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.426 MB LDB: TIME 5589.29 LOAD: AVG 0.118073 MAX 0.213148 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.539 MB LDB: TIME 5589.3 LOAD: AVG 0.118073 MAX 0.213148 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.539 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5589.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5589.3 PRESSURE: 1852400 269.871 -70.1833 -99.7824 -70.1837 95.9037 81.2934 -99.7846 81.294 21.8654 GPRESSURE: 1852400 257.808 -47.5576 -148.569 -70.4375 175.067 108.165 11.0834 29.3985 64.0343 PRESSAVG: 1852400 32.5897 25.0254 -84.6942 25.0255 -30.7291 29.7638 -84.6942 29.7638 28.0915 GPRESSAVG: 1852400 32.2231 24.995 -81.9875 24.8341 -30.6354 30.5523 -86.5498 28 28.2538 TIMING: 1852400 CPU: 5586.08, 0.00308319/step Wall: 5586.08, 0.00308319/step, 2.69574 hours remaining, 211.417969 MB of memory in use. ENERGY: 1852400 756.2908 2047.3016 1945.9699 127.6629 -206343.6075 18122.4307 0.0000 0.0000 34361.0714 -148982.8802 300.0838 -183343.9516 -148885.7995 300.3339 129.2134 165.6366 557737.8827 9.9840 9.9471 PRESSURE: 1852600 59.2631 -135.547 195.209 -135.548 142.402 200.508 195.21 200.507 82.9343 GPRESSURE: 1852600 71.0139 -99.7383 203.329 -97.8888 210.714 211.835 143.689 198.161 119.144 PRESSAVG: 1852600 17.6484 -24.1353 10.8449 -24.1354 -34.0384 32.061 10.8449 32.061 12.5152 GPRESSAVG: 1852600 16.7853 -23.5893 10.2641 -23.7112 -33.7355 28.4731 11.3209 34.3536 12.4896 TIMING: 1852600 CPU: 5586.69, 0.00304823/step Wall: 5586.69, 0.00304822/step, 2.665 hours remaining, 211.484375 MB of memory in use. ENERGY: 1852600 695.8685 2044.2441 1949.0416 116.4084 -206217.2709 17945.5816 0.0000 0.0000 34467.0376 -148999.0891 301.0092 -183466.1267 -148897.8968 299.6620 94.8664 133.6238 557221.0174 -1.2916 -1.4869 PRESSURE: 1852800 134.502 59.0606 26.5405 59.0591 -138.209 -111.156 26.5403 -111.155 -56.8984 GPRESSURE: 1852800 161.526 116.737 8.28981 -30.4771 -133.877 -175.885 -40.436 -113.988 3.61533 PRESSAVG: 1852800 36.9971 22.1757 7.5011 22.1758 16.2837 6.90763 7.50107 6.90778 -33.2399 GPRESSAVG: 1852800 36.5667 20.3019 7.3516 23.2053 17.2705 8.51205 6.82847 7.94211 -33.3772 TIMING: 1852800 CPU: 5587.3, 0.00303292/step Wall: 5587.3, 0.00303292/step, 2.65145 hours remaining, 211.484375 MB of memory in use. ENERGY: 1852800 734.1101 2106.6200 1954.0173 113.5336 -205810.4452 17714.2171 0.0000 0.0000 34237.6218 -148950.3254 299.0057 -183187.9472 -148860.9614 300.1072 -20.2020 10.4212 557871.0157 6.6803 6.8200 PRESSURE: 1853000 -48.8384 -55.3722 10.0745 -55.3733 102.914 -141.887 10.0752 -141.887 -174.264 GPRESSURE: 1853000 -6.26731 -48.7471 27.6971 -89.9287 100.319 -133.959 72.3301 -131.528 -115.761 PRESSAVG: 1853000 -2.21066 -2.47484 1.10721 -2.4748 16.1127 -29.0847 1.10727 -29.0847 -20.7901 GPRESSAVG: 1853000 -1.2234 -2.84781 1.754 -2.98461 15.146 -26.8994 0.727521 -32.5804 -20.8673 TIMING: 1853000 CPU: 5587.91, 0.00302166/step Wall: 5587.91, 0.00302166/step, 2.64143 hours remaining, 211.484375 MB of memory in use. ENERGY: 1853000 759.1847 2072.2392 1925.6965 111.0211 -205948.2540 17852.9123 0.0000 0.0000 34353.6166 -148873.5837 300.0187 -183227.2002 -148774.6894 299.6574 -40.0629 -7.2364 558318.7215 -2.2960 -2.3149 PRESSURE: 1853200 40.6562 61.3317 -82.6937 61.3323 42.2917 93.1058 -82.6947 93.1074 106.048 GPRESSURE: 1853200 37.8986 93.0512 -89.7724 26.8718 122.235 40.9374 -13.4047 187.367 134.321 PRESSAVG: 1853200 -60.2173 13.9706 1.14457 13.9705 44.3689 -6.12074 1.14464 -6.12077 18.0773 GPRESSAVG: 1853200 -60.7184 15.1517 0.253637 11.0464 44.7759 -9.03401 1.41854 -2.75645 18.2785 TIMING: 1853200 CPU: 5588.51, 0.00303684/step Wall: 5588.51, 0.00303684/step, 2.65453 hours remaining, 211.484375 MB of memory in use. ENERGY: 1853200 737.1822 2077.1010 1963.8693 113.4692 -205869.2463 17950.5529 0.0000 0.0000 34201.6899 -148825.3820 298.6919 -183027.0718 -148727.5706 300.5703 62.9987 98.1516 559289.0922 0.7430 0.7787 PRESSURE: 1853400 7.19952 213.56 137.734 213.558 81.6755 -70.5606 137.736 -70.5612 106.439 GPRESSURE: 1853400 90.2713 118.863 162.995 291.431 66.1702 -5.61891 67.28 23.367 153.911 PRESSAVG: 1853400 -68.7709 30.0023 -6.8208 30.0023 40.8524 29.4968 -6.82075 29.4968 8.55007 GPRESSAVG: 1853400 -69.0112 27.8973 -6.06157 32.4371 40.8463 32.6915 -5.99045 26.9272 8.79135 TIMING: 1853400 CPU: 5589.12, 0.00302908/step Wall: 5589.12, 0.00302908/step, 2.64759 hours remaining, 211.484375 MB of memory in use. ENERGY: 1853400 742.3278 2132.7216 1948.7537 106.7265 -205859.6990 17869.0855 0.0000 0.0000 34352.3241 -148707.7599 300.0074 -183060.0840 -148614.8677 300.8575 65.1048 103.4508 558064.5992 -6.4561 -6.4578 PRESSURE: 1853600 -13.1524 -160.985 12.5698 -160.985 -126.635 229.749 12.5698 229.75 -11.7533 GPRESSURE: 1853600 11.6534 -221.879 40.5829 -151.857 -74.7836 156.771 57.5813 145.991 7.49299 PRESSAVG: 1853600 -14.8044 -5.90756 28.4342 -5.90754 -45.5833 -2.15249 28.4341 -2.15249 17.8293 GPRESSAVG: 1853600 -14.7353 -4.15013 29.1983 -6.48944 -46.0355 -3.57382 27.7091 -1.9498 17.8288 TIMING: 1853600 CPU: 5589.72, 0.00302518/step Wall: 5589.72, 0.00302518/step, 2.64401 hours remaining, 211.484375 MB of memory in use. ENERGY: 1853600 722.1175 2088.8577 1949.5728 99.2166 -205613.0981 17526.6942 0.0000 0.0000 34392.4643 -148834.1750 300.3579 -183226.6393 -148740.6058 300.3759 -50.5136 -18.5457 557936.2170 -14.1861 -14.3140 PRESSURE: 1853800 20.1313 87.7345 42.3639 87.7341 -373.822 156.345 42.3641 156.342 -103.023 GPRESSURE: 1853800 62.3426 15.3427 137.753 107.414 -354.014 157.544 48.2562 139.719 -78.4059 PRESSAVG: 1853800 1.04787 21.0752 8.36079 21.0751 12.8284 -15.4674 8.36087 -15.4674 -11.3961 GPRESSAVG: 1853800 2.24001 20.8795 8.59212 21.2553 12.4196 -16.986 7.1047 -14.0682 -12.2871 TIMING: 1853800 CPU: 5590.33, 0.00303082/step Wall: 5590.33, 0.00303082/step, 2.64877 hours remaining, 211.484375 MB of memory in use. ENERGY: 1853800 724.4149 2127.6798 1942.6692 101.4427 -205424.7754 17397.4610 0.0000 0.0000 34249.1182 -148881.9897 299.1061 -183131.1079 -148791.3026 300.6011 -152.2379 -123.3590 558386.2935 0.8267 0.7908 PRESSURE: 1854000 -85.8803 -16.9346 -44.8235 -16.9343 50.5485 -1.70319 -44.8241 -1.70172 190.505 GPRESSURE: 1854000 -50.0917 -21.7664 -3.63793 100.851 92.3163 -41.9477 -67.9988 -15.1716 207.404 PRESSAVG: 1854000 42.9897 -44.9667 47.1018 -44.9668 -11.1048 28.3942 47.1017 28.3941 -26.8858 GPRESSAVG: 1854000 42.2106 -44.5704 44.7538 -47.1673 -11.2738 29.9085 47.8064 26.3099 -25.9103 TIMING: 1854000 CPU: 5590.94, 0.0030336/step Wall: 5590.94, 0.0030336/step, 2.65103 hours remaining, 211.484375 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: 1854000 737.6559 2092.4643 1932.1772 109.5781 -206039.6397 17899.9236 0.0000 0.0000 34574.1964 -148693.6442 301.9451 -183267.8405 -148594.2865 300.8130 51.7244 83.2097 558163.3949 1.6664 1.6755 PRESSURE: 1854200 87.8514 102.216 -171.151 102.216 -171.172 11.7799 -171.15 11.7803 -160.435 GPRESSURE: 1854200 36.8563 65.8801 -182.985 121.692 -110.108 -52.1546 -181.683 29.8936 -73.3867 PRESSAVG: 1854200 16.6864 -17.4724 -14.663 -17.4724 -69.7102 -14.5975 -14.6629 -14.5974 30.6578 GPRESSAVG: 1854200 17.4057 -19.6068 -14.262 -14.854 -69.0441 -15.3363 -13.5783 -14.7394 29.08 TIMING: 1854200 CPU: 5591.54, 0.00302454/step Wall: 5591.54, 0.00302455/step, 2.64295 hours remaining, 211.484375 MB of memory in use. ENERGY: 1854200 761.8746 2117.3260 1929.6793 114.7938 -205586.8969 17577.6884 0.0000 0.0000 34290.8338 -148794.7010 299.4704 -183085.5347 -148705.8760 300.0162 -81.2519 -48.8796 557437.6896 -7.4553 -7.5195 PRESSURE: 1854400 -310.144 165.749 -208.342 165.748 96.8496 190.237 -208.344 190.237 -184.443 GPRESSURE: 1854400 -277.345 143.094 -124.997 122.508 150.508 196.151 -271.973 140.548 -176.229 PRESSAVG: 1854400 50.7477 8.70891 -51.6203 8.70892 50.1383 33.6863 -51.6204 33.6862 -70.1725 GPRESSAVG: 1854400 51.214 11.2791 -50.469 6.66206 49.8047 35.6707 -52.3312 33.7929 -69.6041 TIMING: 1854400 CPU: 5592.15, 0.00305102/step Wall: 5592.15, 0.00305102/step, 2.66591 hours remaining, 211.484375 MB of memory in use. ENERGY: 1854400 758.8371 2047.7071 1960.0906 116.5223 -205315.3691 17414.7645 0.0000 0.0000 34182.3381 -148835.1094 298.5229 -183017.4475 -148736.9562 299.4369 -132.5790 -101.0220 557886.1123 10.2378 10.4715 PRESSURE: 1854600 -31.3785 201.352 272.702 201.351 82.1335 -240.904 272.702 -240.904 171.345 GPRESSURE: 1854600 -32.5215 230.151 331.632 219.671 108.459 -167.901 267.982 -240.652 236.987 PRESSAVG: 1854600 -18.1658 -2.34886 88.7756 -2.3489 25.4318 10.9893 88.7756 10.9893 3.93818 GPRESSAVG: 1854600 -18.739 -3.95074 89.4692 -0.286871 24.7742 10.0669 88.8655 9.5104 5.53097 TIMING: 1854600 CPU: 5592.76, 0.00302532/step Wall: 5592.76, 0.00302532/step, 2.64329 hours remaining, 211.484375 MB of memory in use. ENERGY: 1854600 767.9096 2130.9734 1945.7727 108.1154 -206009.6356 17875.5509 0.0000 0.0000 34217.0818 -148964.2316 298.8263 -183181.3134 -148868.0826 299.7863 74.0333 104.3082 556622.7185 3.7347 3.8554 PRESSURE: 1854800 -185.746 -29.9808 -33.8332 -29.9813 43.7558 -134.813 -33.8327 -134.812 -11.3962 GPRESSURE: 1854800 -83.1251 -26.7237 -26.9907 14.099 6.40478 -173.631 -121.455 -177.379 16.3084 PRESSAVG: 1854800 -27.9778 -1.33545 1.41945 -1.33555 -3.93061 -25.196 1.41948 -25.196 38.2578 GPRESSAVG: 1854800 -26.7628 -1.29543 0.503002 -1.81852 -3.58937 -26.4832 2.06051 -22.2508 36.6059 TIMING: 1854800 CPU: 5593.35, 0.00298642/step Wall: 5593.35, 0.00298642/step, 2.60914 hours remaining, 211.484375 MB of memory in use. ENERGY: 1854800 802.2660 2114.8996 1939.2935 130.4680 -206170.1629 17803.1519 0.0000 0.0000 34487.2765 -148892.8073 301.1860 -183380.0838 -148793.0388 300.2335 -51.1289 -20.1373 557126.4348 2.1165 2.0846 PRESSURE: 1855000 -449.418 -179.636 5.89734 -179.635 -50.3234 -10.6651 5.89812 -10.666 -546.058 GPRESSURE: 1855000 -365.827 -166.533 -89.5194 -154.149 -47.5846 -41.3871 -0.096665 23.5632 -526.685 PRESSAVG: 1855000 -25.9983 -23.9863 26.4032 -23.9862 58.6232 -12.9944 26.4032 -12.9945 -55.884 GPRESSAVG: 1855000 -26.2045 -23.5929 26.7103 -22.2942 58.6011 -14.2457 25.3997 -12.8141 -55.8299 TIMING: 1855000 CPU: 5593.96, 0.00302358/step Wall: 5593.96, 0.00302358/step, 2.64144 hours remaining, 211.484375 MB of memory in use. ENERGY: 1855000 835.3372 2068.6555 1937.2148 118.8814 -205450.1884 17252.1954 0.0000 0.0000 34494.1845 -148743.7196 301.2463 -183237.9041 -148640.9654 300.3791 -348.5997 -313.3655 558761.2152 -7.7530 -7.8111 PRESSURE: 1855200 -47.148 34.6605 78.6123 34.6611 69.7957 -121.66 78.6125 -121.66 -6.23709 GPRESSURE: 1855200 -21.2678 16.9955 72.1707 81.0128 99.2385 -107.742 35.2951 -71.7356 40.8047 PRESSAVG: 1855200 -100.125 29.178 32.9207 29.178 64.3265 -10.6023 32.9206 -10.6024 10.7386 GPRESSAVG: 1855200 -101.766 31.0715 33.6267 27.9611 65.6991 -8.15286 30.7066 -13.9017 10.54 TIMING: 1855200 CPU: 5594.56, 0.00301515/step Wall: 5594.56, 0.00301515/step, 2.6339 hours remaining, 211.484375 MB of memory in use. ENERGY: 1855200 765.7690 2118.7688 1939.8272 103.9580 -205870.6677 17814.0045 0.0000 0.0000 34468.0333 -148660.3070 301.0179 -183128.3402 -148560.1910 300.7190 5.4702 39.5918 559448.3001 -8.3534 -8.5089 PRESSURE: 1855400 -114.461 79.5899 72.3642 79.5899 124.466 -123.851 72.3646 -123.853 99.2923 GPRESSURE: 1855400 -60.966 104.518 69.3203 100.17 150.249 -69.808 85.5033 -149.562 120.869 PRESSAVG: 1855400 -38.2007 9.32395 -2.29067 9.32399 85.9435 3.68327 -2.29072 3.68336 -9.54016 GPRESSAVG: 1855400 -36.1857 6.91587 -3.36782 8.72336 83.9743 2.41599 0.836476 5.62546 -9.00872 TIMING: 1855400 CPU: 5595.17, 0.0030214/step Wall: 5595.17, 0.0030214/step, 2.63919 hours remaining, 211.484375 MB of memory in use. ENERGY: 1855400 758.0748 2120.6498 1943.7698 100.9593 -205817.9148 17813.7856 0.0000 0.0000 34341.0193 -148739.6562 299.9087 -183080.6755 -148644.1394 301.1037 36.4323 70.0506 559169.9598 12.7342 12.9266 PRESSURE: 1855600 -28.3987 28.5219 -105.304 28.5225 -157.858 50.7669 -105.304 50.7666 -313.872 GPRESSURE: 1855600 -31.5502 80.8759 -128.731 13.2149 -169.997 -27.4664 -80.7792 -9.91515 -209.136 PRESSAVG: 1855600 -39.9674 -8.86428 2.50666 -8.86427 29.9192 -42.7998 2.5067 -42.7998 3.26054 GPRESSAVG: 1855600 -42.8504 -8.84266 3.64411 -7.48965 32.9321 -39.6498 2.77636 -42.1933 3.26354 TIMING: 1855600 CPU: 5595.76, 0.00299504/step Wall: 5595.76, 0.00299504/step, 2.616 hours remaining, 211.484375 MB of memory in use. ENERGY: 1855600 729.3631 2021.7834 1934.2749 123.9752 -205326.6329 17401.4880 0.0000 0.0000 34377.1640 -148738.5844 300.2243 -183115.7484 -148638.1250 300.5596 -166.7094 -136.8943 560736.4911 -2.2625 -2.2183 PRESSURE: 1855800 9.3785 28.0568 -72.2704 28.0572 -235.992 139.78 -72.2705 139.778 317.898 GPRESSURE: 1855800 94.9027 60.6679 -71.1029 -6.87926 -218.589 4.64482 -48.3455 161.614 324.734 PRESSAVG: 1855800 -18.5558 -15.4444 6.92834 -15.4444 43.2488 -13.3273 6.92835 -13.3273 -15.7602 GPRESSAVG: 1855800 -15.6589 -13.9026 5.58968 -15.0886 40.8904 -15.5396 7.24185 -12.2178 -15.9102 TIMING: 1855800 CPU: 5596.37, 0.00301905/step Wall: 5596.37, 0.00301905/step, 2.63681 hours remaining, 211.484375 MB of memory in use. ENERGY: 1855800 750.5858 2102.7404 1924.6978 97.1429 -205850.1535 17755.4248 0.0000 0.0000 34422.9866 -148796.5752 300.6245 -183219.5619 -148698.6313 301.5165 30.4281 67.0159 557296.2206 2.9776 3.1071 PRESSURE: 1856000 258.179 -113.936 1.35492 -113.935 -194.959 -9.16668 1.35596 -9.16751 -166.876 GPRESSURE: 1856000 263.224 -93.2274 -5.38073 -166.229 -197.344 18.7885 82.9852 16.557 -88.3292 PRESSAVG: 1856000 37.984 4.02288 -4.13837 4.02296 -1.44327 28.316 -4.13843 28.3159 16.4466 GPRESSAVG: 1856000 36.9103 3.47462 -2.34638 1.70774 -0.534343 26.585 -5.69859 27.0817 16.0065 TIMING: 1856000 CPU: 5596.98, 0.0030387/step Wall: 5596.98, 0.0030387/step, 2.6538 hours remaining, 211.484375 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: 1856000 726.7050 2134.7149 1963.3612 111.3946 -205730.5183 17535.8300 0.0000 0.0000 34177.8666 -149080.6461 298.4838 -183258.5127 -148987.6547 300.6198 -34.5520 -7.4833 556613.4941 17.6624 17.4608 PRESSURE: 1856200 20.335 87.4163 -44.9772 87.4158 -306.454 8.64155 -44.9766 8.64091 36.574 GPRESSURE: 1856200 21.2699 76.0475 -16.1404 102.005 -231.364 58.0853 -6.43792 -54.206 55.8253 PRESSAVG: 1856200 57.9123 18.418 37.6304 18.418 -30.3413 0.653992 37.6304 0.654119 10.3055 GPRESSAVG: 1856200 57.3987 18.2418 37.9379 21.537 -28.6234 2.88774 37.844 3.50185 9.09024 TIMING: 1856200 CPU: 5597.58, 0.0030345/step Wall: 5597.58, 0.0030345/step, 2.64996 hours remaining, 211.484375 MB of memory in use. ENERGY: 1856200 707.1580 2064.9704 1911.1732 108.5789 -206085.6301 17669.5101 0.0000 0.0000 34395.2039 -149229.0356 300.3819 -183624.2395 -149125.7713 299.1967 -83.1817 -51.4230 557619.3574 12.6255 12.6218 LDB: ============= START OF LOAD BALANCING ============== 5601.1 LDB: ============== END OF LOAD BALANCING =============== 5601.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5601.1 LDB: ============= START OF LOAD BALANCING ============== 5601.41 LDB: Largest compute 4800 load 0.030736 is 26.1% of average load 0.117979 LDB: Average compute 0.001732 is 1.5% of average load 0.117979 LDB: TIME 5601.41 LOAD: AVG 0.117979 MAX 0.210567 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.539 MB LDB: TIME 5601.41 LOAD: AVG 0.117979 MAX 0.210567 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.742 MB LDB: TIME 5601.41 LOAD: AVG 0.117979 MAX 0.210567 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.742 MB LDB: ============== END OF LOAD BALANCING =============== 5601.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5601.42 PRESSURE: 1856400 -154.544 63.3228 137.42 63.3214 17.8455 15.7712 137.421 15.7718 -74.1224 GPRESSURE: 1856400 -120.072 158.425 91.4207 89.1218 30.8173 5.33602 128.013 96.116 -20.8578 PRESSAVG: 1856400 43.921 -36.0608 0.234524 -36.0608 -25.935 9.69258 0.234527 9.69256 -63.0221 GPRESSAVG: 1856400 45.4161 -34.3114 -0.422156 -36.5816 -27.8036 10.2029 1.18833 5.26709 -62.343 TIMING: 1856400 CPU: 5598.2, 0.00308318/step Wall: 5598.2, 0.00308318/step, 2.6923 hours remaining, 208.390625 MB of memory in use. ENERGY: 1856400 779.1235 2063.3590 1938.7063 101.7477 -206294.5399 17909.8090 0.0000 0.0000 34215.2064 -149286.5880 298.8099 -183501.7944 -149186.7132 298.8790 -70.2735 -36.7042 556867.4072 -15.0120 -14.9102 PRESSURE: 1856600 -31.4978 15.7958 -24.0074 15.7962 123.613 -61.4766 -24.0073 -61.4764 -35.3307 GPRESSURE: 1856600 -14.115 56.6954 -131.383 71.6191 195.089 -111.499 70.3569 -61.991 -28.6357 PRESSAVG: 1856600 17.8152 14.7244 3.73134 14.7243 32.2398 67.3147 3.73133 67.3148 -87.0997 GPRESSAVG: 1856600 17.8983 12.3906 3.67654 14.3638 33.4835 65.4524 3.14796 69.3904 -88.0284 TIMING: 1856600 CPU: 5598.79, 0.00296906/step Wall: 5598.79, 0.00296906/step, 2.59248 hours remaining, 208.816406 MB of memory in use. ENERGY: 1856600 736.7802 2164.7745 1921.0896 111.3233 -206234.0438 17820.6054 0.0000 0.0000 34227.7164 -149251.7545 298.9192 -183479.4709 -149162.8481 299.3372 18.9280 50.7793 558321.0246 -12.3482 -12.2155 PRESSURE: 1856800 98.7504 54.2425 91.4505 54.2421 79.3671 63.9803 91.4503 63.9798 110.56 GPRESSURE: 1856800 71.8415 43.0679 39.3177 -44.8319 170.029 83.9783 61.2293 93.6199 131.089 PRESSAVG: 1856800 -24.9544 -49.238 10.7955 -49.238 13.1085 -24.3421 10.7955 -24.3421 -0.000573414 GPRESSAVG: 1856800 -24.4331 -48.5914 10.618 -52.1031 11.457 -23.5248 10.8481 -25.7205 1.83456 TIMING: 1856800 CPU: 5599.4, 0.0030117/step Wall: 5599.4, 0.0030117/step, 2.62955 hours remaining, 208.816406 MB of memory in use. ENERGY: 1856800 759.0167 2107.9298 1943.0549 104.0419 -206890.0623 18287.0727 0.0000 0.0000 34406.3655 -149282.5809 300.4793 -183688.9463 -149184.5917 299.0015 96.2260 124.3198 558258.8549 -3.9488 -3.7139 PRESSURE: 1857000 -325.761 -88.9097 -106.684 -88.9111 -126.612 38.3013 -106.685 38.3018 -28.7647 GPRESSURE: 1857000 -309.597 -57.8476 -154.995 -116.645 -30.3229 -2.10761 -115.511 19.9387 -42.8798 PRESSAVG: 1857000 -107.039 16.9528 -42.5044 16.9529 82.1246 -10.68 -42.5044 -10.68 -18.1303 GPRESSAVG: 1857000 -107.333 17.8869 -42.6907 18.8873 83.0401 -9.72493 -41.8746 -10.8414 -18.4311 TIMING: 1857000 CPU: 5599.99, 0.00297299/step Wall: 5599.99, 0.00297299/step, 2.59558 hours remaining, 208.828125 MB of memory in use. ENERGY: 1857000 677.4672 2091.7376 1927.8353 99.3932 -206137.7573 17628.4381 0.0000 0.0000 34154.4953 -149558.3905 298.2797 -183712.8859 -149467.3969 299.1395 -160.3791 -127.5999 558282.1110 -14.3483 -14.2413 PRESSURE: 1857200 -268.382 58.2115 -42.0288 58.2131 -343.24 -260.513 -42.0293 -260.514 -351.034 GPRESSURE: 1857200 -321.926 95.8691 -50.592 0.0525097 -288.332 -239.729 -34.6202 -302.934 -255.407 PRESSAVG: 1857200 -65.3086 15.9164 15.2107 15.9164 34.391 -30.4685 15.2108 -30.4684 28.4728 GPRESSAVG: 1857200 -65.0503 14.3197 16.713 14.9662 33.5857 -30.5631 13.7529 -31.0976 29.0252 TIMING: 1857200 CPU: 5600.59, 0.00299326/step Wall: 5600.59, 0.00299326/step, 2.61312 hours remaining, 208.828125 MB of memory in use. ENERGY: 1857200 747.1266 2061.7251 1922.4785 111.5833 -206097.4316 17462.2013 0.0000 0.0000 34151.9945 -149640.3223 298.2579 -183792.3168 -149540.9620 298.1496 -320.8853 -288.5553 557964.9079 -0.8150 -0.8131 PRESSURE: 1857400 -15.5058 -98.7675 -140.861 -98.7669 -0.379063 131.332 -140.86 131.334 -92.1229 GPRESSURE: 1857400 36.8689 -135.43 -151.774 -64.7529 -13.3133 107.106 -100.559 117.955 -38.4881 PRESSAVG: 1857400 19.1974 74.7288 -41.9932 74.7289 -24.9759 -46.2125 -41.9932 -46.2124 0.736744 GPRESSAVG: 1857400 18.6434 76.8701 -45.6042 75.2105 -25.529 -46.9718 -39.8512 -44.9239 1.70194 TIMING: 1857400 CPU: 5601.19, 0.00300462/step Wall: 5601.19, 0.00300462/step, 2.62286 hours remaining, 208.828125 MB of memory in use. ENERGY: 1857400 763.3426 2070.9851 1898.2579 102.5150 -206284.9307 17820.9879 0.0000 0.0000 34135.4256 -149493.4165 298.1132 -183628.8421 -149388.8349 298.7390 -36.0026 -4.9775 557079.1748 -1.6806 -1.7279 PRESSURE: 1857600 -42.6823 46.9114 156.028 46.9122 -138.812 60.8418 156.028 60.8422 -169.707 GPRESSURE: 1857600 -12.0014 28.8009 203.279 95.6443 -77.2952 148.545 145.494 -17.1228 -170.614 PRESSAVG: 1857600 2.2679 -26.5816 -24.2144 -26.5815 64.48 29.8373 -24.2144 29.8372 -51.8165 GPRESSAVG: 1857600 2.11798 -28.9249 -21.313 -26.0588 65.0888 28.794 -26.6914 31.0818 -52.1786 TIMING: 1857600 CPU: 5601.79, 0.00298949/step Wall: 5601.79, 0.00298949/step, 2.60949 hours remaining, 208.828125 MB of memory in use. ENERGY: 1857600 770.1486 2148.8564 1913.8508 104.9812 -206077.4765 17690.3195 0.0000 0.0000 34022.5243 -149426.7958 297.1272 -183449.3200 -149331.1679 298.1864 -117.0671 -86.6368 556985.1603 4.9771 5.0094 PRESSURE: 1857800 -94.5178 -146.219 0.34157 -146.218 -129.035 96.1847 0.343359 96.1852 -125.837 GPRESSURE: 1857800 -45.4408 -5.92073 -21.6097 -170.666 -93.5827 155.718 23.4949 98.075 -106.267 PRESSAVG: 1857800 5.95982 -14.5291 14.5447 -14.5291 18.1246 -9.76571 14.5447 -9.76562 -23.5053 GPRESSAVG: 1857800 7.21336 -14.3165 12.7072 -14.6044 18.4503 -8.05371 15.7868 -9.96797 -24.7639 TIMING: 1857800 CPU: 5602.38, 0.00296976/step Wall: 5602.38, 0.00296976/step, 2.59211 hours remaining, 208.828125 MB of memory in use. ENERGY: 1857800 714.8180 2096.9120 1922.5492 116.9559 -206067.3023 17650.9958 0.0000 0.0000 34351.1270 -149213.9444 299.9969 -183565.0714 -149117.2092 298.6077 -116.4631 -81.7637 557916.7163 0.1931 0.2999 PRESSURE: 1858000 -286.824 -152 75.5122 -152.001 52.0783 30.794 75.5121 30.7944 -268.95 GPRESSURE: 1858000 -244.43 -131.149 131.571 -165.415 61.1256 51.2418 70.6521 -10.4407 -226.217 PRESSAVG: 1858000 3.30044 -39.1297 11.6553 -39.1298 19.9069 52.4851 11.6554 52.4851 -13.7546 GPRESSAVG: 1858000 1.89159 -38.1902 12.1797 -39.103 20.5772 53.1988 11.153 49.6781 -13.143 TIMING: 1858000 CPU: 5602.98, 0.00300126/step Wall: 5602.98, 0.00300126/step, 2.61943 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: 1858000 713.4330 2152.8035 1915.8467 116.7387 -205938.0508 17624.5474 0.0000 0.0000 34279.6655 -149135.0159 299.3728 -183414.6814 -149036.7802 298.7273 -167.8986 -136.5070 558650.0504 3.1509 3.1086 PRESSURE: 1858200 -354.413 -128.722 64.6778 -128.723 17.7422 -150.619 64.6779 -150.62 -198.308 GPRESSURE: 1858200 -381.554 -176.601 -18.163 -102.831 58.2194 -161.921 145.582 -199.515 -114.915 PRESSAVG: 1858200 9.68363 -20.2131 8.6109 -20.2131 18.1477 -1.879 8.61084 -1.87899 -27.8406 GPRESSAVG: 1858200 10.8386 -21.1048 6.86448 -20.1695 16.8146 -3.38922 9.92507 -1.37999 -27.5492 TIMING: 1858200 CPU: 5603.58, 0.00298669/step Wall: 5603.58, 0.00298669/step, 2.60655 hours remaining, 208.828125 MB of memory in use. ENERGY: 1858200 722.7579 2071.1660 1927.6968 108.0281 -205775.7597 17524.7040 0.0000 0.0000 34250.9069 -149170.5000 299.1217 -183421.4069 -149069.8931 299.1210 -178.3263 -146.0833 559252.7950 -0.0031 0.0347 PRESSURE: 1858400 -260.554 -74.7011 79.645 -74.6994 -129.25 109.617 79.645 109.618 -14.0919 GPRESSURE: 1858400 -200.236 -96.6043 -15.2744 -95.1203 -85.6673 102.024 156.338 108.532 -17.3687 PRESSAVG: 1858400 18.4922 -14.9975 7.67797 -14.9975 14.5321 12.5599 7.67797 12.56 11.8139 GPRESSAVG: 1858400 17.5915 -15.2003 7.90307 -16.2703 15.094 12.3223 6.86719 13.983 12.4246 TIMING: 1858400 CPU: 5604.18, 0.00298971/step Wall: 5604.18, 0.00298971/step, 2.60902 hours remaining, 208.828125 MB of memory in use. ENERGY: 1858400 727.9578 2083.0427 1921.9781 126.9824 -205714.0828 17610.1091 0.0000 0.0000 34264.6273 -148979.3855 299.2415 -183244.0128 -148891.6711 299.2440 -134.6320 -101.0908 558682.6157 14.9460 15.0367 PRESSURE: 1858600 85.2149 -16.7151 -26.459 -16.7155 -56.7745 187.52 -26.4585 187.521 -56.4537 GPRESSURE: 1858600 100.738 34.1319 -16.4069 -74.4691 -17.6022 162.65 -66.7838 222.49 -14.2211 PRESSAVG: 1858600 -39.6518 -48.3571 36.2126 -48.3571 14.7966 -2.32658 36.2126 -2.32664 8.5863 GPRESSAVG: 1858600 -39.3955 -46.696 37.6083 -47.9372 15.062 -2.28587 35.4556 -3.28694 8.52254 TIMING: 1858600 CPU: 5604.78, 0.00299705/step Wall: 5604.78, 0.00299705/step, 2.61526 hours remaining, 208.828125 MB of memory in use. ENERGY: 1858600 750.2739 2106.5637 1951.0836 112.6376 -205865.1261 17625.9060 0.0000 0.0000 34179.3053 -149139.3561 298.4964 -183318.6614 -149046.2921 299.6035 -9.3377 22.9717 558670.2882 -5.4230 -5.2704 PRESSURE: 1858800 -303.684 34.6823 -20.8747 34.6815 -256.203 -53.1629 -20.8761 -53.1622 -178.847 GPRESSURE: 1858800 -291.469 32.2787 -81.0866 39.9922 -220.849 -18.5906 -12.6665 -78.5969 -118.3 PRESSAVG: 1858800 -4.86701 46.9179 3.98228 46.9178 46.2108 -3.21389 3.9822 -3.2139 8.24558 GPRESSAVG: 1858800 -4.79977 44.1985 3.371 48.148 45.7598 -3.19486 3.67301 -2.91116 7.97366 TIMING: 1858800 CPU: 5605.38, 0.00300127/step Wall: 5605.38, 0.00300127/step, 2.61878 hours remaining, 208.828125 MB of memory in use. ENERGY: 1858800 763.6699 2133.7478 1915.4178 114.2143 -205832.9444 17543.2588 0.0000 0.0000 34244.9333 -149117.7024 299.0695 -183362.6357 -149022.4336 299.4439 -246.2445 -210.2058 558140.9621 16.5298 16.3112 PRESSURE: 1859000 5.64245 -134.723 -157.01 -134.723 153.918 -109.418 -157.009 -109.418 170.224 GPRESSURE: 1859000 75.0407 -167.886 -60.7213 -71.3276 164.38 -160.574 -170.421 -19.5859 197.479 PRESSAVG: 1859000 9.19291 -56.0038 -13.446 -56.0036 37.2411 -72.1242 -13.4461 -72.1242 -36.9717 GPRESSAVG: 1859000 9.60817 -54.858 -13.7303 -56.9616 37.5528 -70.7674 -13.9151 -72.5255 -37.1634 TIMING: 1859000 CPU: 5605.98, 0.00302735/step Wall: 5605.98, 0.00302735/step, 2.64136 hours remaining, 208.828125 MB of memory in use. ENERGY: 1859000 736.3898 2043.3892 1949.7789 135.9268 -206340.8768 17885.5301 0.0000 0.0000 34477.6560 -149112.2059 301.1019 -183589.8619 -149012.1932 299.4494 109.9280 145.6333 557700.4473 3.1541 3.3325 PRESSURE: 1859200 206.951 -72.9759 -71.5295 -72.9753 -191.87 93.2941 -71.5293 93.2936 -48.0701 GPRESSURE: 1859200 285.562 -77.5948 -76.9813 -107.816 -147.762 69.0769 -71.576 153.281 -85.3118 PRESSAVG: 1859200 -5.85229 0.23886 -47.9748 0.238915 18.1707 -11.3613 -47.9749 -11.3612 -46.1067 GPRESSAVG: 1859200 -5.6921 0.858136 -48.1815 0.291031 18.1151 -12.9354 -49.3157 -9.21304 -46.6488 TIMING: 1859200 CPU: 5606.59, 0.00303524/step Wall: 5606.59, 0.00303524/step, 2.64808 hours remaining, 208.828125 MB of memory in use. ENERGY: 1859200 787.1407 2094.1842 1930.2320 113.2431 -206107.1199 17744.5131 0.0000 0.0000 34325.1821 -149112.6246 299.7704 -183437.8067 -149014.5309 299.9882 -10.9964 17.4962 557066.0654 -11.2628 -11.4086 PRESSURE: 1859400 -179.39 32.6002 10.2901 32.6005 -170.312 -171.251 10.2903 -171.251 -111.343 GPRESSURE: 1859400 -85.494 61.4315 1.76467 72.8206 -159.855 -191.629 -9.46169 -133.966 -117.137 PRESSAVG: 1859400 36.5345 -6.94067 -41.9673 -6.94066 -0.96809 -41.0133 -41.9672 -41.0135 -45.5802 GPRESSAVG: 1859400 36.2044 -4.17037 -41.4642 -6.8607 0.0845258 -40.3979 -40.3789 -42.973 -46.7562 TIMING: 1859400 CPU: 5607.2, 0.00304557/step Wall: 5607.2, 0.00304557/step, 2.65692 hours remaining, 208.828125 MB of memory in use. ENERGY: 1859400 757.4502 2153.4229 1891.0171 124.9797 -205989.2867 17645.7750 0.0000 0.0000 34333.5622 -149083.0796 299.8435 -183416.6417 -148986.9453 300.2796 -153.6815 -120.8284 558254.2954 -3.3379 -3.4891 PRESSURE: 1859600 -224.737 127.982 -136.398 127.983 1.06142 -66.5753 -136.399 -66.5763 -215.07 GPRESSURE: 1859600 -156.411 36.057 -157.793 205.638 18.9903 -10.1333 -84.2862 -74.2871 -201.948 PRESSAVG: 1859600 48.4774 59.4957 -64.8822 59.4956 -52.5733 35.076 -64.8822 35.0759 2.12581 GPRESSAVG: 1859600 48.6562 57.5037 -66.7082 57.9189 -53.9016 35.0763 -63.4038 36.0688 3.38889 TIMING: 1859600 CPU: 5607.81, 0.00305149/step Wall: 5607.81, 0.00305149/step, 2.66192 hours remaining, 208.828125 MB of memory in use. ENERGY: 1859600 753.9803 2058.7568 1902.3313 116.9656 -206009.2386 17557.0038 0.0000 0.0000 34453.9760 -149166.2247 300.8951 -183620.2007 -149065.4173 299.9901 -146.2487 -113.1228 557140.8714 -0.6567 -0.6188 PRESSURE: 1859800 406.048 225.729 -162.759 225.729 -82.1103 -8.59202 -162.758 -8.59276 125.265 GPRESSURE: 1859800 502.118 229.641 -56.5444 183.332 -94.0258 32.1626 -193.519 -71.8705 129.851 PRESSAVG: 1859800 33.3093 7.35253 -20.3846 7.35248 -73.7539 35.0832 -20.3846 35.083 34.3188 GPRESSAVG: 1859800 33.0912 6.9218 -19.6189 9.56786 -72.9708 37.3316 -20.1504 31.8119 33.4174 TIMING: 1859800 CPU: 5608.42, 0.00305696/step Wall: 5608.42, 0.00305696/step, 2.66652 hours remaining, 208.828125 MB of memory in use. ENERGY: 1859800 759.4584 2089.9348 1921.3028 122.3627 -206319.7923 17954.0174 0.0000 0.0000 34387.4806 -149085.2356 300.3144 -183472.7162 -148989.2307 299.6338 149.7342 179.3146 555946.3446 -2.0419 -2.1541 PRESSURE: 1860000 -182.225 39.6333 137.312 39.6326 -160.06 26.0635 137.31 26.063 212.071 GPRESSURE: 1860000 -173.7 7.43592 166.849 26.1883 -96.442 -48.7474 183.127 59.8244 243.491 PRESSAVG: 1860000 20.7653 19.3668 -47.074 19.3668 -32.0897 40.1063 -47.074 40.1063 -23.2703 GPRESSAVG: 1860000 19.9009 18.8761 -47.2252 18.7494 -30.9078 38.6458 -46.6022 41.6668 -22.8147 TIMING: 1860000 CPU: 5609.03, 0.00302935/step Wall: 5609.03, 0.00302935/step, 2.64227 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: 1860000 744.9420 2065.0007 1930.5192 105.8753 -205925.5194 17638.3327 0.0000 0.0000 34401.8797 -149038.9698 300.4402 -183440.8495 -148933.6604 300.1614 -43.4049 -8.8837 556294.2036 -11.5316 -11.2739 PRESSURE: 1860200 -225.408 -101.186 156.764 -101.185 -266.307 67.9189 156.764 67.9179 99.6965 GPRESSURE: 1860200 -237.456 -26.4536 134.435 -142.701 -207.133 41.4206 151.904 85.7019 141.679 PRESSAVG: 1860200 4.67631 28.0392 -23.1942 28.0391 -36.1494 23.0125 -23.1942 23.0127 65.9658 GPRESSAVG: 1860200 5.17857 29.3155 -23.392 26.823 -37.5493 22.5583 -26.0896 23.1111 66.9094 TIMING: 1860200 CPU: 5609.63, 0.00301138/step Wall: 5609.63, 0.00301138/step, 2.62643 hours remaining, 208.828125 MB of memory in use. ENERGY: 1860200 766.6880 2103.3578 1914.4288 115.3640 -205962.4518 17513.1508 0.0000 0.0000 34447.7478 -149101.7146 300.8407 -183549.4624 -149011.0283 300.3707 -130.6727 -100.9703 555770.2689 11.4976 11.5129 LDB: ============= START OF LOAD BALANCING ============== 5613.14 LDB: ============== END OF LOAD BALANCING =============== 5613.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5613.15 LDB: ============= START OF LOAD BALANCING ============== 5613.45 LDB: Largest compute 4772 load 0.028761 is 24.4% of average load 0.118066 LDB: Average compute 0.001724 is 1.5% of average load 0.118066 LDB: TIME 5613.45 LOAD: AVG 0.118066 MAX 0.210142 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.645 MB LDB: TIME 5613.45 LOAD: AVG 0.118066 MAX 0.210142 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.715 MB LDB: TIME 5613.45 LOAD: AVG 0.118066 MAX 0.210142 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5613.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5613.46 PRESSURE: 1860400 -176.911 -184.685 71.2749 -184.685 -188.582 46.2709 71.2745 46.2698 -234.676 GPRESSURE: 1860400 -137.542 -182.539 204.818 -224.315 -109.487 53.6704 -29.5892 61.8691 -243.556 PRESSAVG: 1860400 -60.867 21.7924 13.1274 21.7924 -19.0068 33.9056 13.1273 33.9056 74.0936 GPRESSAVG: 1860400 -61.6141 21.3609 13.1762 23.9962 -18.2551 35.0183 14.0644 34.7816 74.1355 TIMING: 1860400 CPU: 5610.24, 0.00305425/step Wall: 5610.24, 0.00305425/step, 2.66364 hours remaining, 209.222656 MB of memory in use. ENERGY: 1860400 727.9125 2127.2475 1936.3792 117.3214 -205740.3911 17276.8826 0.0000 0.0000 34396.1669 -149158.4809 300.3903 -183554.6479 -149061.3104 300.1466 -200.0565 -163.5283 556761.6519 -1.9267 -1.9112 PRESSURE: 1860600 63.2114 -123.551 -111.617 -123.551 112.244 182.821 -111.617 182.821 164.61 GPRESSURE: 1860600 140.266 -168.36 -76.3802 -47.9853 152.654 132.693 -171.675 190.033 152.885 PRESSAVG: 1860600 -9.10989 -13.2586 -41.168 -13.2586 -33.1774 7.51292 -41.168 7.51292 47.8016 GPRESSAVG: 1860600 -7.77536 -15.07 -39.5341 -12.709 -33.0882 6.94981 -41.9134 7.30424 46.6353 TIMING: 1860600 CPU: 5610.84, 0.00299854/step Wall: 5610.84, 0.00299854/step, 2.6149 hours remaining, 209.222656 MB of memory in use. ENERGY: 1860600 759.0056 2060.7514 1920.3535 113.2803 -206384.1374 18004.2894 0.0000 0.0000 34521.1509 -149005.3062 301.4818 -183526.4571 -148897.4666 300.6567 113.3550 148.6017 556023.5824 1.8381 1.9239 PRESSURE: 1860800 -99.8231 -96.3229 -40.9115 -96.323 105.427 -63.2069 -40.9125 -63.2062 51.3983 GPRESSURE: 1860800 -55.0107 -127.614 -40.0754 -146.79 96.633 -58.8038 -57.0317 -154.114 111.335 PRESSAVG: 1860800 16.7284 85.1992 -34.3857 85.1992 -52.5722 20.7263 -34.3858 20.7262 29.3781 GPRESSAVG: 1860800 16.2489 86.3926 -33.8506 82.6697 -52.2902 21.0306 -33.9481 19.8976 29.7775 TIMING: 1860800 CPU: 5611.44, 0.00300614/step Wall: 5611.44, 0.00300614/step, 2.62135 hours remaining, 209.222656 MB of memory in use. ENERGY: 1860800 754.9773 2026.8083 1917.5298 97.4759 -205918.2144 17817.9891 0.0000 0.0000 34230.2925 -149073.1415 298.9417 -183303.4340 -148971.6257 299.9929 19.0007 50.9856 558759.5009 -2.1552 -2.0880 PRESSURE: 1861000 52.5332 -39.491 46.8101 -39.49 9.06556 59.0101 46.8113 59.0094 115.824 GPRESSURE: 1861000 85.7443 -29.7334 -5.14437 -78.2812 50.1103 27.1964 121.366 7.09767 145.848 PRESSAVG: 1861000 -16.2854 -13.085 -8.389 -13.0851 6.40238 -10.0553 -8.38903 -10.0553 3.77363 GPRESSAVG: 1861000 -15.9587 -13.4249 -10.2396 -12.516 5.50122 -10.6267 -8.99256 -10.3261 3.90168 TIMING: 1861000 CPU: 5612.04, 0.00300378/step Wall: 5612.04, 0.00300378/step, 2.61913 hours remaining, 209.222656 MB of memory in use. ENERGY: 1861000 755.5029 2011.0793 1913.5493 108.9416 -205882.8822 17827.0226 0.0000 0.0000 34385.6894 -148881.0971 300.2988 -183266.7865 -148784.0236 299.8454 59.1409 93.9009 558258.7027 -2.0365 -2.1853 PRESSURE: 1861200 -27.8282 31.4158 -97.9431 31.4154 88.423 55.3011 -97.9438 55.3017 8.51222 GPRESSURE: 1861200 -28.5306 -56.1542 -35.0578 79.9799 102.936 14.6856 -95.0616 91.6253 87.0879 PRESSAVG: 1861200 -13.7277 -6.60231 12.5808 -6.6023 -13.521 5.52714 12.5808 5.52709 46.7586 GPRESSAVG: 1861200 -14.0376 -5.92294 13.2691 -4.83366 -14.515 6.08151 15.57 6.55165 47.6366 TIMING: 1861200 CPU: 5612.64, 0.00298449/step Wall: 5612.64, 0.00298449/step, 2.60214 hours remaining, 209.222656 MB of memory in use. ENERGY: 1861200 751.6078 2136.7453 1938.3444 110.6187 -205738.7846 17701.5717 0.0000 0.0000 34139.2674 -148960.6292 298.1467 -183099.8966 -148870.0675 300.3303 23.0357 53.8309 555884.7918 6.5033 6.3613 PRESSURE: 1861400 10.0711 67.3495 81.6135 67.3498 -244.32 -37.0788 81.6131 -37.0787 78.1047 GPRESSURE: 1861400 51.9359 34.2629 76.9111 139.09 -147.737 -53.0162 55.5753 -57.5327 49.4605 PRESSAVG: 1861400 -24.2854 -16.3476 -6.42461 -16.3476 15.6794 -3.60767 -6.42463 -3.60754 32.8931 GPRESSAVG: 1861400 -24.7071 -16.2195 -7.06936 -17.8244 17.3929 -3.0116 -8.67366 -4.00434 31.4384 TIMING: 1861400 CPU: 5613.24, 0.00300696/step Wall: 5613.24, 0.00300696/step, 2.62157 hours remaining, 209.222656 MB of memory in use. ENERGY: 1861400 802.0321 2117.1581 1900.1570 102.9950 -206341.5300 17990.6395 0.0000 0.0000 34421.5084 -149007.0400 300.6116 -183428.5483 -148912.0576 300.3598 -52.0482 -15.4467 557729.3392 8.0957 8.0414 PRESSURE: 1861600 -59.4434 8.94049 41.9857 8.94029 -99.1134 -177.551 41.9858 -177.552 -130.469 GPRESSURE: 1861600 -18.261 68.8939 63.6803 -29.1234 -60.5214 -129.398 43.7604 -237.849 -112.516 PRESSAVG: 1861600 -4.65784 36.4516 14.6397 36.4516 16.8244 -28.0346 14.6398 -28.0346 -9.63768 GPRESSAVG: 1861600 -4.07077 35.1487 15.9537 38.0398 15.094 -28.1792 13.7492 -28.7633 -8.03784 TIMING: 1861600 CPU: 5613.84, 0.00302757/step Wall: 5613.84, 0.00302757/step, 2.63937 hours remaining, 209.222656 MB of memory in use. ENERGY: 1861600 730.7338 2134.6372 1913.2140 121.5138 -205833.8446 17645.0022 0.0000 0.0000 34228.0513 -149060.6923 298.9221 -183288.7436 -148962.4404 299.8252 -96.3419 -63.7661 559213.4250 0.8429 0.9951 PRESSURE: 1861800 -137.23 95.0665 -102.07 95.0662 -111.872 104.038 -102.071 104.038 -69.0285 GPRESSURE: 1861800 -87.1525 123.798 32.753 73.8499 -65.7463 112.034 -145.874 109.014 -67.7988 PRESSAVG: 1861800 -19.7838 35.9613 -17.871 35.9613 16.6538 -73.6079 -17.871 -73.6079 22.4182 GPRESSAVG: 1861800 -19.7048 37.892 -18.5045 33.9214 17.8354 -75.3121 -15.9673 -72.4791 21.0254 TIMING: 1861800 CPU: 5614.45, 0.00302042/step Wall: 5614.45, 0.00302042/step, 2.63297 hours remaining, 209.222656 MB of memory in use. ENERGY: 1861800 728.1363 2144.8930 1929.0554 114.5725 -206205.5787 17634.7596 0.0000 0.0000 34321.7643 -149332.3977 299.7405 -183654.1620 -149240.1769 298.7070 -106.0436 -73.5659 557303.5897 6.4294 6.3853 PRESSURE: 1862000 -210.022 52.3012 -39.7853 52.3008 -40.9927 -64.6979 -39.7855 -64.6964 127.121 GPRESSURE: 1862000 -147.106 14.1631 -47.6019 76.1751 -19.8545 -72.9112 -51.0413 -49.7115 129.628 PRESSAVG: 1862000 -8.04246 52.6967 26.3944 52.6967 0.0861374 -44.5478 26.3944 -44.5478 33.0935 GPRESSAVG: 1862000 -9.12273 53.8472 25.5295 52.4745 0.706106 -43.265 25.3859 -44.9618 33.3408 TIMING: 1862000 CPU: 5615.06, 0.00304486/step Wall: 5615.06, 0.00304486/step, 2.6541 hours remaining, 209.222656 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: 1862000 765.0981 2121.1240 1918.1599 112.8142 -206053.4428 17754.5946 0.0000 0.0000 34039.6198 -149342.0322 297.2765 -183381.6519 -149249.5724 299.0984 -41.2979 -12.4442 556903.9428 8.3790 8.3081 PRESSURE: 1862200 -98.4603 -119.253 -56.3638 -119.252 -53.5819 -8.19634 -56.3622 -8.19614 -136.765 GPRESSURE: 1862200 -25.8698 -180.246 -108.006 -99.4032 -46.2929 1.74131 -87.1062 -25.794 -121.679 PRESSAVG: 1862200 -60.844 55.9892 60.8993 55.9893 -3.55058 -10.4061 60.8993 -10.4061 101.465 GPRESSAVG: 1862200 -58.8156 56.8368 63.1059 56.6294 -5.7765 -11.4173 61.5284 -8.75755 101.858 TIMING: 1862200 CPU: 5615.66, 0.00302283/step Wall: 5615.66, 0.00302283/step, 2.63473 hours remaining, 209.222656 MB of memory in use. ENERGY: 1862200 671.2650 2070.3800 1892.0846 119.6719 -205767.0074 17438.8805 0.0000 0.0000 34361.6610 -149213.0643 300.0889 -183574.7253 -149117.7145 299.3697 -96.2692 -64.6141 557248.7283 12.3568 12.4220 PRESSURE: 1862400 64.7499 -209.922 -13.3066 -209.923 24.8502 60.5372 -13.3083 60.5377 -109.716 GPRESSURE: 1862400 112.283 -219.876 -77.966 -121.018 79.4909 69.7571 -11.0264 25.0775 -126.152 PRESSAVG: 1862400 -20.9096 -13.391 52.8047 -13.391 -20.0926 19.5447 52.8047 19.5447 42.2523 GPRESSAVG: 1862400 -20.788 -14.0846 52.2101 -11.9266 -18.3154 18.9759 54.2799 18.5409 40.6525 TIMING: 1862400 CPU: 5616.26, 0.00297438/step Wall: 5616.26, 0.00297438/step, 2.59234 hours remaining, 209.222656 MB of memory in use. ENERGY: 1862400 740.7732 2078.9658 1903.1110 105.2552 -206179.1377 17802.9766 0.0000 0.0000 34146.7899 -149401.2660 298.2124 -183548.0559 -149305.7277 299.2274 -6.7054 21.8739 558277.0224 0.4167 0.5164 PRESSURE: 1862600 -193.352 -49.85 0.090147 -49.8498 8.63152 110.548 0.0891748 110.55 187.01 GPRESSURE: 1862600 -144.666 -58.8295 28.0328 -63.5615 73.377 97.7859 5.86414 21.8614 176.731 PRESSAVG: 1862600 -47.9744 -17.4629 -26.6071 -17.4628 52.5075 -3.36347 -26.6072 -3.36338 -3.01786 GPRESSAVG: 1862600 -47.7724 -17.2437 -27.3775 -19.2747 52.9369 -1.15427 -28.1227 -5.13201 -3.43106 TIMING: 1862600 CPU: 5616.86, 0.00299523/step Wall: 5616.86, 0.00299523/step, 2.61034 hours remaining, 209.222656 MB of memory in use. ENERGY: 1862600 751.4142 2061.0975 1926.6692 103.7262 -206503.5524 17984.7054 0.0000 0.0000 34126.0082 -149549.9318 298.0309 -183675.9399 -149457.4052 298.1384 0.7631 35.1472 557022.0190 0.5051 0.5778 PRESSURE: 1862800 95.5584 -68.0329 -77.9918 -68.034 -194.684 71.9622 -77.9925 71.9618 -18.2626 GPRESSURE: 1862800 131.288 -34.9656 17.0013 -4.5819 -126.387 33.8558 -224.236 61.7678 -9.9057 PRESSAVG: 1862800 32.285 -35.5386 12.839 -35.5386 -5.71701 71.6559 12.8391 71.6559 -6.61075 GPRESSAVG: 1862800 32.8355 -36.5052 13.2168 -34.8177 -6.72971 70.2628 12.7341 72.8446 -5.93495 TIMING: 1862800 CPU: 5617.46, 0.00300475/step Wall: 5617.46, 0.00300475/step, 2.61847 hours remaining, 209.222656 MB of memory in use. ENERGY: 1862800 733.6229 2057.3921 1912.9563 118.6396 -206211.2815 17779.4608 0.0000 0.0000 34193.2752 -149415.9345 298.6184 -183609.2098 -149311.0847 298.5695 -39.1293 -1.6683 556823.1147 6.6524 6.7236 PRESSURE: 1863000 243.332 -92.6304 -48.4284 -92.6311 -18.7078 111.787 -48.4282 111.787 170.756 GPRESSURE: 1863000 250.197 -173.161 19.2288 -181.293 19.1794 113.546 -70.4843 7.28481 234.05 PRESSAVG: 1863000 -34.3321 13.959 7.51444 13.9591 -12.5449 31.7893 7.51436 31.7894 75.3066 GPRESSAVG: 1863000 -35.6031 13.5682 8.53018 13.3078 -11.9914 31.5212 7.33989 32.3137 75.7341 TIMING: 1863000 CPU: 5618.06, 0.00302772/step Wall: 5618.06, 0.00302772/step, 2.63832 hours remaining, 209.222656 MB of memory in use. ENERGY: 1863000 730.3240 2128.7998 1925.0048 117.9971 -206599.7944 18020.3904 0.0000 0.0000 34312.5967 -149364.6816 299.6604 -183677.2783 -149268.6188 298.8954 131.7934 167.8086 556997.4041 9.4765 9.3799 PRESSURE: 1863200 78.1033 -106.436 -48.171 -106.436 360.675 110.207 -48.1715 110.206 451.364 GPRESSURE: 1863200 190.954 -43.787 -36.715 -114.025 336.594 60.3894 -122.526 120.954 465.225 PRESSAVG: 1863200 -9.64342 -14.8967 -35.795 -14.8968 -8.18908 19.348 -35.7949 19.3479 43.818 GPRESSAVG: 1863200 -7.9919 -14.2766 -36.0489 -15.2941 -8.52136 18.1962 -36.5611 17.9207 43.1558 TIMING: 1863200 CPU: 5618.66, 0.00300693/step Wall: 5618.66, 0.00300693/step, 2.62004 hours remaining, 209.222656 MB of memory in use. ENERGY: 1863200 756.6814 2052.8438 1959.7044 118.8353 -206629.3310 18312.7842 0.0000 0.0000 34005.2860 -149423.1959 296.9766 -183428.4819 -149330.8145 299.2130 296.7140 330.9242 555592.0036 8.6618 8.8809 PRESSURE: 1863400 -224.017 112.764 16.42 112.764 -294.247 104.234 16.4198 104.233 -183.562 GPRESSURE: 1863400 -206.657 103.677 78.1176 43.4303 -232.353 172.746 17.0915 13.8172 -162.99 PRESSAVG: 1863400 -63.3917 51.3007 -49.2222 51.3008 -8.68075 -37.2442 -49.2222 -37.2442 90.1661 GPRESSAVG: 1863400 -63.0426 50.0988 -49.8908 50.9352 -8.85123 -38.2733 -48.0791 -36.86 90.7681 TIMING: 1863400 CPU: 5619.27, 0.00302014/step Wall: 5619.27, 0.00302014/step, 2.63138 hours remaining, 209.222656 MB of memory in use. ENERGY: 1863400 779.0218 2098.8910 1942.8739 104.5654 -206248.2038 17589.3004 0.0000 0.0000 34300.7850 -149432.7663 299.5573 -183733.5512 -149333.4954 298.3821 -233.9418 -200.6667 558473.2145 6.0312 6.2914 PRESSURE: 1863600 181.359 42.3068 -112.155 42.3078 -86.1176 70.6024 -112.155 70.6011 88.2547 GPRESSURE: 1863600 180.12 73.5196 -154.31 54.3919 -61.1058 41.2136 -34.9039 17.9586 146.24 PRESSAVG: 1863600 34.0898 58.688 35.0773 58.688 -21.8882 16.1886 35.0773 16.1885 -37.7875 GPRESSAVG: 1863600 33.4352 58.3653 35.2791 60.7107 -22.0181 17.5716 35.2183 16.9572 -37.1599 TIMING: 1863600 CPU: 5619.87, 0.00301194/step Wall: 5619.87, 0.00301194/step, 2.62407 hours remaining, 209.222656 MB of memory in use. ENERGY: 1863600 732.5181 2110.4132 1921.5616 114.0383 -206608.9593 17883.5440 0.0000 0.0000 34564.6616 -149282.2226 301.8618 -183846.8841 -149187.2696 299.1062 61.1654 88.4181 557287.5586 -8.5286 -8.5809 PRESSURE: 1863800 -13.5031 -35.6252 14.8257 -35.6236 62.527 -71.0938 14.8257 -71.0949 313.923 GPRESSURE: 1863800 44.4137 -12.2076 -40.9718 -16.8806 150.168 -60.7633 -21.9901 -44.0013 265.554 PRESSAVG: 1863800 27.3096 -23.9529 -6.142 -23.9528 96.602 -17.1139 -6.14197 -17.1138 -54.2061 GPRESSAVG: 1863800 26.4108 -21.4489 -7.84132 -25.3123 98.9417 -17.4999 -6.16717 -16.0527 -55.5112 TIMING: 1863800 CPU: 5620.47, 0.00299539/step Wall: 5620.47, 0.00299539/step, 2.60948 hours remaining, 209.222656 MB of memory in use. ENERGY: 1863800 739.7885 2166.0390 1941.7505 121.8608 -206922.4212 18212.2834 0.0000 0.0000 34397.0522 -149343.6468 300.3980 -183740.6990 -149244.4382 299.1620 120.9823 153.3785 556556.5804 23.2351 23.2804 PRESSURE: 1864000 -57.5537 99.111 11.7663 99.1101 -61.0572 230.982 11.7658 230.981 -214.432 GPRESSURE: 1864000 -15.7843 17.2961 6.45735 189.393 -26.9105 181.67 42.4847 267.834 -200.629 PRESSAVG: 1864000 -43.566 -59.2043 -5.29691 -59.2043 28.7226 -8.89907 -5.29697 -8.89909 31.387 GPRESSAVG: 1864000 -43.0367 -62.304 -3.44893 -57.5765 26.9228 -7.36217 -6.20287 -9.42526 32.2279 TIMING: 1864000 CPU: 5621.07, 0.0030041/step Wall: 5621.07, 0.0030041/step, 2.6169 hours remaining, 209.222656 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: 1864000 765.5782 2140.0513 1928.2214 120.3796 -206227.5454 17692.2225 0.0000 0.0000 34458.7571 -149122.3353 300.9369 -183581.0924 -149025.4922 299.6119 -111.0144 -81.1079 556304.6917 5.5145 5.3713 PRESSURE: 1864200 231.567 86.485 119.066 86.484 66.0468 21.404 119.065 21.4025 44.5016 GPRESSURE: 1864200 255.526 105.404 185.651 33.894 130.448 34.7383 -35.9362 -3.12937 48.5468 PRESSAVG: 1864200 11.7472 7.35941 58.2009 7.35933 -59.4124 8.15641 58.2009 8.15648 8.46822 GPRESSAVG: 1864200 13.8625 10.3464 58.0955 5.81271 -59.549 7.02637 59.4172 8.48764 6.64824 TIMING: 1864200 CPU: 5621.67, 0.00299043/step Wall: 5621.67, 0.00299043/step, 2.60483 hours remaining, 209.222656 MB of memory in use. ENERGY: 1864200 760.1887 2144.5040 1918.1742 115.3959 -206270.9495 17850.6469 0.0000 0.0000 34406.5051 -149075.5347 300.4806 -183482.0398 -148981.4596 300.6526 114.0383 144.8400 556064.5662 -13.0657 -13.0128 LDB: ============= START OF LOAD BALANCING ============== 5625.18 LDB: ============== END OF LOAD BALANCING =============== 5625.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5625.18 LDB: ============= START OF LOAD BALANCING ============== 5625.48 LDB: Largest compute 4800 load 0.028402 is 24.1% of average load 0.118034 LDB: Average compute 0.001727 is 1.5% of average load 0.118034 LDB: TIME 5625.48 LOAD: AVG 0.118034 MAX 0.209439 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.504 MB LDB: TIME 5625.48 LOAD: AVG 0.118034 MAX 0.209439 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.707 MB LDB: TIME 5625.48 LOAD: AVG 0.118034 MAX 0.209439 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.707 MB LDB: ============== END OF LOAD BALANCING =============== 5625.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5625.49 PRESSURE: 1864400 -30.8751 -23.5191 12.0865 -23.5193 -103.809 32.3429 12.0866 32.3415 59.1866 GPRESSURE: 1864400 61.6702 -55.4433 -67.9711 -67.8434 -131.232 130.955 59.3914 56.625 95.3467 PRESSAVG: 1864400 34.0377 6.78345 7.70239 6.78331 -32.1495 30.0599 7.70244 30.0599 -22.5041 GPRESSAVG: 1864400 32.4928 5.90146 8.71984 6.74093 -31.5222 29.896 8.39787 28.2998 -21.5923 TIMING: 1864400 CPU: 5622.27, 0.00302745/step Wall: 5622.27, 0.00302745/step, 2.63691 hours remaining, 207.246094 MB of memory in use. ENERGY: 1864400 745.5481 2099.9888 1905.8732 105.6638 -205914.5558 17708.3517 0.0000 0.0000 34322.5054 -149026.6246 299.7470 -183349.1301 -148929.6285 299.7425 -25.1658 8.5951 558388.3514 -6.8720 -6.8739 PRESSURE: 1864600 -105.434 -8.79806 78.4266 -8.79807 -246.204 -29.379 78.4267 -29.3805 47.9807 GPRESSURE: 1864600 -103.07 19.3944 173.17 -67.4691 -165.018 -14.3614 1.16052 7.18472 69.0101 PRESSAVG: 1864600 15.8879 2.51876 32.0071 2.51877 -8.37619 -4.66726 32.007 -4.66724 -22.703 GPRESSAVG: 1864600 15.7508 3.11714 29.9565 2.36374 -8.75834 -5.88151 33.454 -4.00022 -22.0663 TIMING: 1864600 CPU: 5622.87, 0.00299852/step Wall: 5622.87, 0.00299852/step, 2.61154 hours remaining, 207.449219 MB of memory in use. ENERGY: 1864600 750.8154 2059.5716 1904.0004 116.3441 -206071.5210 17717.7570 0.0000 0.0000 34279.0885 -149243.9439 299.3678 -183523.0325 -149145.0928 298.8578 -101.2194 -66.3593 559746.3027 -5.0638 -5.0246 PRESSURE: 1864800 48.0988 -115.987 168.657 -115.987 -84.1735 -92.1303 168.657 -92.1293 -229.437 GPRESSURE: 1864800 95.7965 -115.839 119.683 -106.115 -108.204 -52.0693 181.755 -88.3552 -142.675 PRESSAVG: 1864800 4.22143 -9.82253 -7.02756 -9.82246 0.619203 6.0594 -7.02762 6.05934 -13.8628 GPRESSAVG: 1864800 3.88976 -12.0014 -7.13361 -9.32675 0.756712 6.23 -8.77568 5.13808 -13.8009 TIMING: 1864800 CPU: 5623.48, 0.00302306/step Wall: 5623.48, 0.00302306/step, 2.63275 hours remaining, 207.449219 MB of memory in use. ENERGY: 1864800 749.1959 2092.5298 1921.4831 124.1665 -206361.7750 17821.9379 0.0000 0.0000 34419.2652 -149233.1965 300.5920 -183652.4618 -149129.0353 299.2244 -88.5040 -51.6943 558795.6695 -3.0074 -3.0515 PRESSURE: 1865000 259.254 -17.3715 69.3233 -17.3694 53.7521 -73.8967 69.3229 -73.8976 -142.479 GPRESSURE: 1865000 233.372 -42.537 119.748 8.09338 96.5823 -73.5744 51.8253 -2.02748 -61.3241 PRESSAVG: 1865000 37.6688 19.9291 -1.46315 19.9291 32.1235 9.43171 -1.46312 9.43174 -39.6566 GPRESSAVG: 1865000 38.2758 21.9198 -1.3744 20.0056 32.287 10.9884 -1.67019 8.69918 -39.9891 TIMING: 1865000 CPU: 5624.09, 0.00303886/step Wall: 5624.09, 0.00303886/step, 2.64634 hours remaining, 207.652344 MB of memory in use. ENERGY: 1865000 725.1036 2086.7704 1937.6810 115.5789 -206079.1351 17922.1154 0.0000 0.0000 34304.5554 -148987.3303 299.5902 -183291.8857 -148888.9559 299.2361 56.8424 89.5433 557874.9795 10.0452 10.1912 PRESSURE: 1865200 193.632 19.724 -15.605 19.7247 -117.657 -147.375 -15.6047 -147.374 -140.359 GPRESSURE: 1865200 221.6 -18.2654 -51.5282 -35.2443 -79.0187 -194.545 13.6037 -150.138 -99.1301 PRESSAVG: 1865200 35.7669 -10.6114 50.5011 -10.6114 -23.7897 -41.4517 50.501 -41.4516 -72.95 GPRESSAVG: 1865200 35.515 -11.0754 51.6177 -11.5604 -23.5945 -42.6966 49.6418 -39.1956 -73.0177 TIMING: 1865200 CPU: 5624.69, 0.00302632/step Wall: 5624.69, 0.00302632/step, 2.63525 hours remaining, 207.652344 MB of memory in use. ENERGY: 1865200 767.9756 2065.5954 1930.0418 110.5277 -206337.1842 17916.0629 0.0000 0.0000 34730.5658 -148816.4150 303.3107 -183546.9808 -148714.6443 300.4647 -21.4614 14.4839 558649.0804 -20.3243 -20.3657 PRESSURE: 1865400 0.963281 -150.697 214.163 -150.695 173.289 -209.423 214.161 -209.424 -132.33 GPRESSURE: 1865400 18.9919 -186.02 139.483 -80.8005 196.76 -272.51 250.214 -115.807 -84.4813 PRESSAVG: 1865400 -10.3115 -57.4776 100.311 -57.4775 10.3093 -74.9752 100.311 -74.9752 0.263847 GPRESSAVG: 1865400 -9.66527 -59.0317 100.272 -55.7998 10.1303 -76.0789 100.476 -73.8969 -0.141897 TIMING: 1865400 CPU: 5625.29, 0.00301025/step Wall: 5625.29, 0.00301025/step, 2.62109 hours remaining, 207.652344 MB of memory in use. ENERGY: 1865400 741.2401 2145.1406 1925.9229 119.7746 -205981.9996 17737.1608 0.0000 0.0000 34323.3025 -148989.4580 299.7539 -183312.7605 -148897.3224 300.1741 13.9740 43.7568 557165.9731 0.0872 0.1077 PRESSURE: 1865600 -5.30004 -13.1785 -29.1793 -13.179 8.31204 -31.7578 -29.1792 -31.7592 -119.77 GPRESSURE: 1865600 56.5957 9.12924 70.9535 -23.4825 40.8995 -18.1541 -58.0935 -50.5368 -110.412 PRESSAVG: 1865600 -1.92291 -53.7286 21.0992 -53.7286 -38.7062 -22.0796 21.0991 -22.0797 18.3147 GPRESSAVG: 1865600 -2.44719 -50.9815 22.6512 -56.6705 -38.757 -21.1071 19.4203 -23.0607 19.3105 TIMING: 1865600 CPU: 5625.9, 0.00303073/step Wall: 5625.9, 0.00303073/step, 2.63876 hours remaining, 207.652344 MB of memory in use. ENERGY: 1865600 717.6373 2103.6761 1904.3370 113.7772 -205871.0119 17635.0678 0.0000 0.0000 34360.2648 -149036.2518 300.0767 -183396.5166 -148942.7515 299.9580 -38.9193 -4.3057 556868.7780 -7.4381 -7.2979 PRESSURE: 1865800 35.8777 -16.4894 -5.84145 -16.4895 -207.818 -175.216 -5.83972 -175.216 -265.541 GPRESSURE: 1865800 106.579 -49.2777 -88.5182 49.7672 -189.971 -184.761 10.9297 -190.928 -251.346 PRESSAVG: 1865800 12.1089 19.7485 -22.5695 19.7485 -63.7528 -49.6091 -22.5695 -49.6091 24.1152 GPRESSAVG: 1865800 13.2553 17.786 -25.0925 21.2265 -64.1056 -49.2065 -19.9473 -50.7316 23.9623 TIMING: 1865800 CPU: 5626.51, 0.00306905/step Wall: 5626.51, 0.00306905/step, 2.67195 hours remaining, 207.652344 MB of memory in use. ENERGY: 1865800 719.6177 2066.2621 1934.4555 109.7587 -205630.9770 17475.9219 0.0000 0.0000 34369.8200 -148955.1410 300.1602 -183324.9610 -148864.8844 300.3339 -145.8272 -111.5793 558629.7571 -9.1762 -8.9627 PRESSURE: 1866000 -33.4778 37.5905 136.31 37.5901 -328.604 -45.3467 136.31 -45.3482 -152.607 GPRESSURE: 1866000 -3.72752 20.6813 204.949 80.3753 -289.764 37.3314 65.3302 -52.9623 -121.095 PRESSAVG: 1866000 68.9899 27.043 11.1732 27.043 -102.229 -23.8246 11.1731 -23.8246 69.4011 GPRESSAVG: 1866000 68.5187 26.663 11.6724 27.2016 -102.366 -26.5842 10.0537 -20.4358 69.7123 TIMING: 1866000 CPU: 5627.12, 0.00304172/step Wall: 5627.12, 0.00304172/step, 2.64799 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: 1866000 742.5312 2061.8056 1924.1226 112.2457 -205955.3586 17662.2160 0.0000 0.0000 34393.8488 -149058.5887 300.3700 -183452.4376 -148960.0348 299.8119 -171.5630 -138.1953 559003.8718 12.0540 11.9549 PRESSURE: 1866200 -16.646 168.149 -79.7196 168.149 146.163 1.51569 -79.7192 1.51542 -107.591 GPRESSURE: 1866200 13.3878 27.9292 -54.0245 247.718 221.332 60.5948 -133.726 -3.19884 -110.926 PRESSAVG: 1866200 -5.17316 3.3378 45.4696 3.33781 -22.1556 -33.8749 45.4695 -33.8747 38.6812 GPRESSAVG: 1866200 -5.89295 3.71088 45.6464 2.93246 -20.4412 -32.9761 44.4369 -36.8365 37.5313 TIMING: 1866200 CPU: 5627.73, 0.00306079/step Wall: 5627.73, 0.00306079/step, 2.66442 hours remaining, 207.652344 MB of memory in use. ENERGY: 1866200 760.4118 2134.4895 1930.9353 113.7859 -206244.7528 17837.2635 0.0000 0.0000 34252.8042 -149215.0626 299.1383 -183467.8668 -149126.8572 299.7910 7.3086 41.2648 558511.8269 3.7841 3.7324 PRESSURE: 1866400 127.186 -4.84114 -75.2009 -4.84066 165.476 -19.0245 -75.2024 -19.0247 -64.1644 GPRESSURE: 1866400 211.534 42.0993 -87.954 15.0913 208.879 -14.7773 -104.815 2.09786 -86.1453 PRESSAVG: 1866400 -22.1811 48.2885 -10.0677 48.2885 61.2503 -29.653 -10.0677 -29.6531 -50.0715 GPRESSAVG: 1866400 -22.0699 49.9934 -12.3554 48.6087 60.7652 -28.8358 -7.75678 -27.0772 -49.769 TIMING: 1866400 CPU: 5628.34, 0.00302223/step Wall: 5628.34, 0.00302223/step, 2.63068 hours remaining, 207.652344 MB of memory in use. ENERGY: 1866400 717.1825 2056.9596 1923.3482 111.3292 -206658.9763 18284.8082 0.0000 0.0000 34402.9317 -149162.4171 300.4494 -183565.3488 -149061.5241 299.5085 76.1659 111.4227 559524.7815 -3.6674 -3.6913 PRESSURE: 1866600 -2.72013 113.544 95.8177 113.544 4.17021 -173.457 95.8188 -173.457 -108.874 GPRESSURE: 1866600 35.0512 124.826 83.7558 133.207 23.4909 -155.312 74.3787 -113.344 -73.5711 PRESSAVG: 1866600 -7.68742 -38.5587 -2.64709 -38.5588 5.89782 -2.66907 -2.64713 -2.66907 -46.6538 GPRESSAVG: 1866600 -6.65989 -40.1286 -0.482665 -38.7523 4.13691 -2.66178 -4.48194 -4.99935 -46.3803 TIMING: 1866600 CPU: 5628.94, 0.00301813/step Wall: 5628.94, 0.00301813/step, 2.62695 hours remaining, 207.652344 MB of memory in use. ENERGY: 1866600 725.9214 2037.3054 1922.8148 112.1676 -206013.0143 17688.5813 0.0000 0.0000 34523.7578 -149002.4660 301.5046 -183526.2238 -148908.0567 299.7089 -35.8080 -5.0097 558219.2934 -16.1478 -16.3011 PRESSURE: 1866800 -135.681 -110.044 -112.87 -110.044 -27.0875 109.191 -112.871 109.19 -286.48 GPRESSURE: 1866800 -152.223 -123.702 -130.991 -162.567 -21.0893 75.2313 -99.2799 95.6056 -183.275 PRESSAVG: 1866800 -9.94668 14.2656 -3.84301 14.2656 25.3092 -2.2821 -3.84296 -2.2821 20.6557 GPRESSAVG: 1866800 -11.7158 15.3353 -2.84186 15.0478 26.3053 -3.71731 -4.03042 -0.0566801 21.494 TIMING: 1866800 CPU: 5629.55, 0.00303704/step Wall: 5629.55, 0.00303704/step, 2.64324 hours remaining, 207.652344 MB of memory in use. ENERGY: 1866800 787.0440 2042.2786 1900.9492 113.1389 -205979.2424 17675.5354 0.0000 0.0000 34462.4083 -148997.8881 300.9688 -183460.2964 -148906.4775 300.4554 -149.7494 -118.8627 558837.8612 12.0061 12.0278 PRESSURE: 1867000 -139.684 53.7774 -63.9382 53.7776 -35.127 124.585 -63.9395 124.587 -59.0988 GPRESSURE: 1867000 -98.2199 55.5875 -71.2691 30.7359 -18.117 118.276 -15.5409 169.601 -16.7464 PRESSAVG: 1867000 27.9986 -23.4173 -0.490047 -23.4172 5.30803 20.1922 -0.490098 20.1921 -33.3747 GPRESSAVG: 1867000 29.689 -23.1281 -0.953154 -24.7295 4.35485 21.6816 1.3475 17.5725 -34.2531 TIMING: 1867000 CPU: 5630.16, 0.00303759/step Wall: 5630.16, 0.00303759/step, 2.64355 hours remaining, 207.652344 MB of memory in use. ENERGY: 1867000 726.0908 2145.8235 1944.7623 114.3812 -205541.6194 17511.7905 0.0000 0.0000 34144.8545 -148953.9167 298.1955 -183098.7712 -148862.1393 299.8109 -77.9698 -44.3611 559131.7617 -0.0227 -0.0697 PRESSURE: 1867200 -51.5889 66.5633 -84.7701 66.5635 -107.151 -0.807103 -84.7705 -0.806088 -241.488 GPRESSURE: 1867200 11.2566 50.9255 -147.376 41.0632 -73.3995 24.5184 -73.5652 27.7704 -227.546 PRESSAVG: 1867200 68.5332 43.653 -5.92075 43.653 4.21175 31.4728 -5.9208 31.4729 -65.613 GPRESSAVG: 1867200 67.9393 43.2163 -7.38289 43.0463 5.23221 33.0954 -6.69764 33.7005 -65.6193 TIMING: 1867200 CPU: 5630.77, 0.003045/step Wall: 5630.77, 0.003045/step, 2.64983 hours remaining, 207.652344 MB of memory in use. ENERGY: 1867200 739.3727 2052.6787 1926.7991 100.5750 -205758.1098 17504.2533 0.0000 0.0000 34442.0286 -148992.4023 300.7908 -183434.4310 -148892.6336 299.9653 -133.4096 -96.5631 556213.3565 2.3773 2.5174 PRESSURE: 1867400 108.098 207.427 -148.349 207.427 -21.0043 -196.533 -148.351 -196.531 93.1079 GPRESSURE: 1867400 74.8887 141.225 -128.097 230.348 31.9362 -153.187 -131.234 -260.595 161.523 PRESSAVG: 1867400 55.5989 4.9159 -24.1081 4.9159 16.3378 3.49589 -24.1081 3.49582 -48.1334 GPRESSAVG: 1867400 55.2427 3.03019 -21.9281 6.65116 15.4444 2.33015 -22.8629 2.29371 -48.256 TIMING: 1867400 CPU: 5631.37, 0.00302995/step Wall: 5631.37, 0.00302995/step, 2.63656 hours remaining, 207.652344 MB of memory in use. ENERGY: 1867400 705.3901 2063.5214 1892.8646 110.7599 -205950.5005 17765.5009 0.0000 0.0000 34467.3164 -148945.1471 301.0116 -183412.4636 -148848.5751 299.9564 60.0673 89.4492 557375.8295 7.9344 7.4770 PRESSURE: 1867600 179.615 107.972 48.4727 107.974 116.424 -133.441 48.4726 -133.441 319.912 GPRESSURE: 1867600 266.563 206.364 71.2465 41.0224 126.593 -219.058 70.0632 -47.3631 324.666 PRESSAVG: 1867600 1.4405 32.5111 -30.0476 32.5111 13.7591 -20.9707 -30.0476 -20.9707 5.47583 GPRESSAVG: 1867600 2.2154 35.2557 -31.9387 31.7425 14.6714 -20.6966 -29.3418 -21.9159 4.36482 TIMING: 1867600 CPU: 5631.98, 0.00301485/step Wall: 5631.98, 0.00301485/step, 2.62325 hours remaining, 207.652344 MB of memory in use. ENERGY: 1867600 729.0575 2122.1283 1936.2707 107.5424 -206302.7363 18125.5188 0.0000 0.0000 34260.4187 -149021.7999 299.2048 -183282.2186 -148924.0744 300.3972 205.3171 239.2741 557090.7597 6.8918 7.0839 PRESSURE: 1867800 192.096 -37.5151 79.9215 -37.5153 35.2226 109.547 79.9202 109.548 98.0889 GPRESSURE: 1867800 222.763 47.0002 83.0602 -95.4245 61.9859 148.925 176.958 156.865 123.858 PRESSAVG: 1867800 4.80794 13.9794 -4.63258 13.9794 -9.32804 44.5394 -4.63256 44.5394 16.18 GPRESSAVG: 1867800 4.58038 13.4757 -2.87372 13.6297 -8.50625 44.5236 -6.98136 46.7461 16.3197 TIMING: 1867800 CPU: 5632.58, 0.00301838/step Wall: 5632.58, 0.00301838/step, 2.62616 hours remaining, 207.652344 MB of memory in use. ENERGY: 1867800 751.7678 2054.4134 1955.8294 99.7393 -206065.5966 17915.3068 0.0000 0.0000 34297.6222 -148990.9176 299.5297 -183288.5398 -148892.9971 300.1412 108.4690 136.2023 557178.1797 3.8866 4.1313 PRESSURE: 1868000 133.436 28.0061 -139.759 28.0064 -51.1181 -88.6521 -139.758 -88.6516 169.801 GPRESSURE: 1868000 137.211 30.0233 -135.803 60.2324 -10.265 -111.637 -114.542 -58.3857 227.289 PRESSAVG: 1868000 -7.38907 25.4693 -7.43402 25.4694 13.4689 -1.8924 -7.43401 -1.89246 16.5956 GPRESSAVG: 1868000 -8.82992 25.3509 -6.8889 26.8665 13.895 -1.55837 -5.68786 -3.83495 17.0403 TIMING: 1868000 CPU: 5633.18, 0.00300414/step Wall: 5633.18, 0.00300414/step, 2.6136 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: 1868000 802.9275 2015.5920 1943.1091 116.7030 -206501.6780 18108.0150 0.0000 0.0000 34317.9867 -149197.3447 299.7075 -183515.3314 -149090.9944 300.0654 84.0395 118.0783 558547.3632 7.5584 7.3684 PRESSURE: 1868200 -55.6345 -48.287 206.501 -48.285 -49.229 -11.5233 206.501 -11.5217 43.2486 GPRESSURE: 1868200 -19.2523 -131.772 265.106 -53.7309 -24.7748 17.8546 188.254 -83.5514 81.7369 PRESSAVG: 1868200 -34.3487 6.81966 44.6941 6.81962 4.98836 79.1177 44.6941 79.1177 40.4635 GPRESSAVG: 1868200 -32.6203 6.25355 44.8539 6.67774 2.47895 77.7689 43.494 80.2642 40.3948 TIMING: 1868200 CPU: 5633.78, 0.00298745/step Wall: 5633.78, 0.00298745/step, 2.59892 hours remaining, 207.652344 MB of memory in use. ENERGY: 1868200 764.1021 2060.3224 1958.5595 113.7797 -206177.1660 17741.1584 0.0000 0.0000 34242.0713 -149297.1726 299.0445 -183539.2440 -149200.4257 299.2012 -20.5383 12.5699 555550.4848 3.7010 3.4178 LDB: ============= START OF LOAD BALANCING ============== 5637.3 LDB: ============== END OF LOAD BALANCING =============== 5637.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5637.3 LDB: ============= START OF LOAD BALANCING ============== 5637.6 LDB: Largest compute 4772 load 0.030317 is 25.7% of average load 0.118042 LDB: Average compute 0.001731 is 1.5% of average load 0.118042 LDB: TIME 5637.6 LOAD: AVG 0.118042 MAX 0.20872 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.758 MB LDB: TIME 5637.6 LOAD: AVG 0.118042 MAX 0.20872 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.961 MB LDB: TIME 5637.6 LOAD: AVG 0.118042 MAX 0.20872 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.961 MB LDB: ============== END OF LOAD BALANCING =============== 5637.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5637.61 PRESSURE: 1868400 -88.3068 45.566 21.2807 45.5663 116.83 21.2192 21.281 21.2189 -132.95 GPRESSURE: 1868400 16.0511 35.2107 49.3806 31.0738 89.0181 5.18922 -8.05435 24.0956 -110.782 PRESSAVG: 1868400 -0.300273 -2.14279 -16.4281 -2.14283 5.65496 27.1525 -16.4281 27.1524 1.02773 GPRESSAVG: 1868400 -1.04489 -0.0349956 -17.4235 -3.24958 6.64571 26.7964 -15.7442 27.1017 1.36337 TIMING: 1868400 CPU: 5634.39, 0.00307541/step Wall: 5634.39, 0.00307541/step, 2.67527 hours remaining, 209.031250 MB of memory in use. ENERGY: 1868400 689.8994 2098.3292 1952.9840 117.1785 -206030.8586 17672.9508 0.0000 0.0000 34281.6288 -149217.8879 299.3900 -183499.5167 -149121.8653 299.2731 -34.8088 -1.9041 555895.7093 2.1275 2.3214 PRESSURE: 1868600 -140.791 -153.511 -91.5556 -153.511 -306.668 78.3162 -91.5555 78.3156 -63.3351 GPRESSURE: 1868600 -127.637 -203.663 -81.3687 -172.292 -205.266 15.8202 -185.961 112.049 -82.8672 PRESSAVG: 1868600 88.2288 -41.3819 12.7543 -41.382 -47.882 -7.99491 12.7543 -7.99496 -16.6379 GPRESSAVG: 1868600 88.6736 -44.3983 12.6201 -39.7532 -46.7319 -7.23049 12.2327 -9.1854 -18.2942 TIMING: 1868600 CPU: 5635, 0.00303993/step Wall: 5635, 0.00303993/step, 2.64423 hours remaining, 209.492188 MB of memory in use. ENERGY: 1868600 750.7729 2078.7872 1937.4888 115.3930 -205900.1134 17448.1087 0.0000 0.0000 34349.2807 -149220.2820 299.9808 -183569.5627 -149127.7867 299.1871 -170.2647 -138.5902 556780.8136 7.9030 7.8825 PRESSURE: 1868800 -39.9706 -3.59243 -11.0458 -3.59382 -197.085 159.139 -11.0474 159.138 -172.153 GPRESSURE: 1868800 -72.7958 -56.2775 -42.4246 -68.7208 -154.573 137.745 -35.8945 209.04 -82.4243 PRESSAVG: 1868800 55.0243 6.68216 -18.5477 6.6822 -23.7712 63.1526 -18.5477 63.1525 -16.717 GPRESSAVG: 1868800 54.0806 7.38049 -17.3894 6.27643 -23.5865 61.0715 -19.8405 63.5558 -16.0332 TIMING: 1868800 CPU: 5635.6, 0.00300881/step Wall: 5635.6, 0.00300881/step, 2.61699 hours remaining, 209.492188 MB of memory in use. ENERGY: 1868800 767.7779 2061.1758 1922.5742 112.9392 -205947.0370 17501.3014 0.0000 0.0000 34280.5159 -149300.7526 299.3803 -183581.2684 -149204.9556 299.3294 -136.4027 -103.2643 554888.5954 4.8453 4.8203 PRESSURE: 1869000 -27.3421 -20.8462 67.6659 -20.8461 131.445 18.4686 67.6663 18.4691 66.1365 GPRESSURE: 1869000 47.8545 -29.215 62.6086 51.251 110.42 -15.6162 23.759 -6.92179 107.052 PRESSAVG: 1869000 -17.575 11.0125 4.54698 11.0125 18.9538 43.5345 4.54693 43.5345 6.67887 GPRESSAVG: 1869000 -16.3337 12.7276 2.69138 12.3818 17.7477 44.5528 6.97578 44.2117 6.7973 TIMING: 1869000 CPU: 5636.21, 0.00302349/step Wall: 5636.21, 0.00302349/step, 2.6296 hours remaining, 209.492188 MB of memory in use. ENERGY: 1869000 758.8664 2113.1319 1958.5147 117.3080 -206356.4563 17825.3703 0.0000 0.0000 34453.5286 -149129.7365 300.8912 -183583.2651 -149033.4399 299.3942 56.7464 88.4420 555992.8423 2.6859 2.7371 PRESSURE: 1869200 -214.062 -104.407 -155.04 -104.408 53.4274 -5.93754 -155.04 -5.93827 -7.77422 GPRESSURE: 1869200 -169.131 -94.9763 -166.567 6.49897 58.8842 -29.0492 -108.333 -73.4317 47.3029 PRESSAVG: 1869200 -0.792497 58.1059 14.6479 58.1059 20.438 47.1783 14.6478 47.1782 7.207 GPRESSAVG: 1869200 -2.05636 56.1149 14.8394 58.5457 21.6922 50.1268 14.5199 46.3522 7.02987 TIMING: 1869200 CPU: 5636.81, 0.00303019/step Wall: 5636.81, 0.00303019/step, 2.63526 hours remaining, 209.492188 MB of memory in use. ENERGY: 1869200 756.4001 2106.6266 1949.0821 107.0791 -205972.3405 17637.0285 0.0000 0.0000 34285.3856 -149130.7386 299.4228 -183416.1241 -149032.3231 299.2192 -56.1362 -20.9812 556939.6147 8.9508 8.8886 PRESSURE: 1869400 -65.0831 -57.714 -30.3373 -57.7145 139.337 -238.56 -30.3374 -238.562 129.796 GPRESSURE: 1869400 -38.7183 -15.6062 -20.1125 -68.3131 154.479 -196.349 -92.4828 -248.398 185.189 PRESSAVG: 1869400 -51.4157 -26.1129 13.8181 -26.1128 6.49782 -36.166 13.818 -36.1661 56.4801 GPRESSAVG: 1869400 -49.923 -25.8214 14.069 -27.8557 5.71689 -36.0077 13.6466 -35.8152 56.0387 TIMING: 1869400 CPU: 5637.42, 0.00303428/step Wall: 5637.42, 0.00303428/step, 2.63865 hours remaining, 209.492188 MB of memory in use. ENERGY: 1869400 771.1901 2081.9918 1935.1086 117.3979 -206328.2929 17956.2489 0.0000 0.0000 34282.3252 -149184.0303 299.3961 -183466.3555 -149085.7066 299.9397 68.0167 100.3164 558381.7442 3.8541 3.9442 PRESSURE: 1869600 -200.504 -48.6146 82.372 -48.6138 28.5694 -102.945 82.3709 -102.946 -21.5772 GPRESSURE: 1869600 -155.421 -85.0146 23.0423 -39.3212 29.0994 -93.4866 76.9162 -131.73 19.7557 PRESSAVG: 1869600 -75.9702 69.1069 28.4568 69.1068 56.565 -36.8777 28.4568 -36.8778 19.9565 GPRESSAVG: 1869600 -76.3427 69.3405 29.0215 68.525 56.566 -39.306 28.8149 -36.3081 19.9877 TIMING: 1869600 CPU: 5638.03, 0.00303168/step Wall: 5638.03, 0.00303168/step, 2.63621 hours remaining, 209.492188 MB of memory in use. ENERGY: 1869600 745.1155 2108.6959 1927.2614 98.8564 -206061.5488 17846.6357 0.0000 0.0000 34197.2250 -149137.7588 298.6529 -183334.9839 -149031.8416 299.9167 -64.5040 -35.5220 559304.3223 0.1838 0.0703 PRESSURE: 1869800 -230.626 -33.0473 40.482 -33.0468 -187.961 82.7876 40.4828 82.7871 15.6185 GPRESSURE: 1869800 -168.378 -103.09 65.1921 15.2108 -179.627 35.8183 62.1697 119.345 39.5967 PRESSAVG: 1869800 -80.1156 -2.02029 10.3066 -2.02029 4.41497 33.6323 10.3066 33.6322 49.2062 GPRESSAVG: 1869800 -80.8699 -1.88772 10.6719 -0.318401 4.89966 34.2167 10.3624 34.0631 49.376 TIMING: 1869800 CPU: 5638.62, 0.0029917/step Wall: 5638.62, 0.0029917/step, 2.60128 hours remaining, 209.687500 MB of memory in use. ENERGY: 1869800 733.4603 2105.7084 1923.6419 107.3188 -206134.2923 17777.1410 0.0000 0.0000 34216.0694 -149270.9525 298.8174 -183487.0219 -149176.5854 299.1912 -134.3228 -102.8027 559062.8254 -8.8315 -8.8648 PRESSURE: 1870000 -293.326 8.05279 -71.2077 8.05304 91.5217 18.18 -71.2074 18.1806 -248.921 GPRESSURE: 1870000 -238.021 -28.569 -145.811 33.7468 131.142 -47.7679 -131.057 85.1289 -238.254 PRESSAVG: 1870000 -39.2044 28.0247 3.83833 28.0247 64.6643 7.00634 3.83836 7.0063 5.66718 GPRESSAVG: 1870000 -40.0682 28.7706 3.96436 26.8061 65.1984 8.74161 4.55966 5.9683 5.98879 TIMING: 1870000 CPU: 5639.23, 0.00303027/step Wall: 5639.23, 0.00303027/step, 2.63465 hours remaining, 209.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1870000 742.4237 2072.7503 1916.1522 122.8408 -206205.6978 17626.1760 0.0000 0.0000 34342.5611 -149382.7937 299.9221 -183725.3548 -149288.5815 299.2596 -150.2419 -115.0441 558848.8217 10.3757 10.3730 PRESSURE: 1870200 195.173 57.414 20.8365 57.4137 -3.33638 152.416 20.8374 152.414 218.29 GPRESSURE: 1870200 275.697 -19.5614 -7.56659 123.805 63.9205 130.989 32.7029 130.678 166.414 PRESSAVG: 1870200 54.2485 -5.53506 -24.7407 -5.53494 -54.7569 -6.48614 -24.7408 -6.48617 3.3907 GPRESSAVG: 1870200 56.2176 -7.01355 -23.6371 -5.22031 -56.8992 -7.48618 -26.7217 -6.32153 3.56495 TIMING: 1870200 CPU: 5639.83, 0.00299982/step Wall: 5639.83, 0.00299982/step, 2.60801 hours remaining, 209.687500 MB of memory in use. ENERGY: 1870200 730.0325 2080.5270 1920.0465 116.8474 -206807.9060 18302.2850 0.0000 0.0000 34237.6452 -149420.5223 299.0059 -183658.1675 -149327.3446 298.7545 136.7089 168.6773 559126.6664 0.9608 0.9611 PRESSURE: 1870400 -265.752 62.7028 -171.187 62.7007 -113.359 -58.3183 -171.187 -58.3192 -31.682 GPRESSURE: 1870400 -246.243 48.768 -148.606 90.8918 -49.0014 -66.4167 -190.029 -70.933 -22.6266 PRESSAVG: 1870400 18.8393 -53.592 -45.6249 -53.5921 -3.14683 -34.9509 -45.6249 -34.9511 -23.4249 GPRESSAVG: 1870400 16.9458 -54.8734 -46.2614 -52.1508 -1.15866 -33.1327 -45.0572 -34.8959 -22.8791 TIMING: 1870400 CPU: 5640.44, 0.00302779/step Wall: 5640.44, 0.00302779/step, 2.63216 hours remaining, 209.687500 MB of memory in use. ENERGY: 1870400 725.5497 2096.3398 1935.5813 118.8921 -205851.4437 17587.0817 0.0000 0.0000 34017.7613 -149370.2378 297.0856 -183387.9991 -149282.5158 298.6600 -136.9312 -105.9572 558409.2955 -2.5775 -2.3640 PRESSURE: 1870600 -239.228 -17.3966 -137.526 -17.396 -126.001 -106.875 -137.524 -106.875 -220.258 GPRESSURE: 1870600 -186.731 -67.8976 -165.199 7.1607 -116.068 -58.8577 -167.881 -177.688 -194.855 PRESSAVG: 1870600 9.57585 -52.0438 1.38541 -52.0438 -33.1881 -44.0944 1.38547 -44.0946 -4.81186 GPRESSAVG: 1870600 10.3052 -50.5816 1.37456 -53.2687 -33.8776 -47.0777 1.07997 -43.0288 -5.05722 TIMING: 1870600 CPU: 5641.04, 0.0030107/step Wall: 5641.04, 0.0030107/step, 2.61713 hours remaining, 209.687500 MB of memory in use. ENERGY: 1870600 744.8471 2048.1500 1916.6285 112.5197 -205828.0336 17611.1968 0.0000 0.0000 33972.4391 -149422.2524 296.6898 -183394.6914 -149327.1773 298.1751 -195.1621 -165.8843 558282.7996 -9.4747 -9.5432 PRESSURE: 1870800 54.08 -25.0513 55.3352 -25.0504 36.6705 -43.3387 55.3348 -43.3389 24.9633 GPRESSURE: 1870800 79.8832 -103.078 -38.1402 -29.5929 31.3876 -44.2099 109.107 -107.835 94.2886 PRESSAVG: 1870800 -3.87962 -32.0223 2.69455 -32.0222 19.9358 -42.4016 2.69452 -42.4016 -7.29805 GPRESSAVG: 1870800 -4.27031 -32.0141 2.33644 -33.7918 20.5776 -39.8294 4.37568 -44.7357 -7.5666 TIMING: 1870800 CPU: 5641.64, 0.00299289/step Wall: 5641.64, 0.00299289/step, 2.60148 hours remaining, 209.687500 MB of memory in use. ENERGY: 1870800 737.4354 2091.8258 1898.9743 119.8925 -206143.2840 17716.9073 0.0000 0.0000 34075.6932 -149502.5554 297.5915 -183578.2487 -149412.3952 298.3989 38.5713 68.5198 556667.6414 2.9194 2.9136 PRESSURE: 1871000 18.8599 172.432 -17.1809 172.433 298.229 -27.1083 -17.1822 -27.1093 329.404 GPRESSURE: 1871000 84.5677 159.106 -76.3551 47.7113 291.117 -132.718 -0.181411 84.2209 365.274 PRESSAVG: 1871000 0.493066 14.4936 -28.4962 14.4936 56.8277 -0.690651 -28.4962 -0.690646 -40.011 GPRESSAVG: 1871000 1.12812 15.3934 -28.8126 14.1939 56.0238 -2.04287 -30.2139 0.373271 -39.8257 TIMING: 1871000 CPU: 5642.24, 0.0030202/step Wall: 5642.24, 0.0030202/step, 2.62506 hours remaining, 209.687500 MB of memory in use. ENERGY: 1871000 706.2767 2046.5684 1910.5595 112.6050 -206696.6912 18016.8149 0.0000 0.0000 34366.8598 -149537.0069 300.1343 -183903.8667 -149441.9160 298.1419 215.4975 246.9862 555969.1785 5.7699 5.7754 PRESSURE: 1871200 -117.777 117.288 -43.7859 117.287 -211.009 170.749 -43.7857 170.748 96.7609 GPRESSURE: 1871200 -64.8272 109.239 12.0216 76.6514 -146.624 141.683 -74.7408 88.8822 87.6505 PRESSAVG: 1871200 -18.0427 -1.53701 2.69641 -1.53702 48.6686 -14.5766 2.69635 -14.5766 15.542 GPRESSAVG: 1871200 -18.7227 -2.94216 2.57296 -0.947598 48.8428 -12.3485 3.38549 -16.3351 15.5576 TIMING: 1871200 CPU: 5642.84, 0.0030222/step Wall: 5642.84, 0.0030222/step, 2.62663 hours remaining, 209.687500 MB of memory in use. ENERGY: 1871200 733.9509 2065.3422 1927.6686 105.7562 -206443.4001 17714.1473 0.0000 0.0000 34217.1532 -149679.3817 298.8269 -183896.5350 -149583.9823 297.4847 -77.3418 -41.2669 556387.7109 15.3893 15.2259 PRESSURE: 1871400 11.6433 103.256 112.786 103.256 17.0746 -57.7966 112.786 -57.7988 20.2278 GPRESSURE: 1871400 -25.1786 78.8904 108.44 110.508 64.4653 -120.066 97.1276 30.3996 94.0563 PRESSAVG: 1871400 -36.6756 13.8644 -35.5276 13.8643 38.4634 -14.2068 -35.5277 -14.207 -2.69032 GPRESSAVG: 1871400 -37.0209 15.2021 -34.5203 15.1548 38.1212 -15.3766 -35.4465 -10.1539 -1.8473 TIMING: 1871400 CPU: 5643.44, 0.00299663/step Wall: 5643.44, 0.00299663/step, 2.60424 hours remaining, 209.687500 MB of memory in use. ENERGY: 1871400 726.1998 2068.3878 1916.9451 104.3202 -206373.4934 17712.1534 0.0000 0.0000 34113.2717 -149732.2153 297.9197 -183845.4870 -149635.6996 297.3660 16.3152 44.4477 555142.3033 -0.3008 -0.2490 PRESSURE: 1871600 -183.917 60.3849 94.733 60.3839 -196.263 65.856 94.7338 65.8552 26.9317 GPRESSURE: 1871600 -115.596 -9.04053 -7.35482 68.5333 -172.267 -51.9851 115.156 96.0152 22.1225 PRESSAVG: 1871600 9.73808 5.38706 -50.1953 5.38705 19.6012 -20.3527 -50.1954 -20.3528 15.3118 GPRESSAVG: 1871600 10.2201 7.28643 -51.9584 2.60744 19.5398 -20.1688 -49.7594 -21.7358 14.9656 TIMING: 1871600 CPU: 5644.05, 0.00300526/step Wall: 5644.05, 0.00300526/step, 2.61157 hours remaining, 209.687500 MB of memory in use. ENERGY: 1871600 710.6740 2076.2829 1905.0658 118.8557 -206302.9673 17537.3368 0.0000 0.0000 34290.1154 -149664.6369 299.4641 -183954.7522 -149571.4824 297.8960 -117.7494 -88.5802 556188.9701 14.8837 14.9085 PRESSURE: 1871800 -174.645 -88.1738 -160.773 -88.1732 -229.456 -57.5003 -160.773 -57.5002 -243.695 GPRESSURE: 1871800 -123.511 -131.354 -98.4027 -51.4152 -238.512 -57.8225 -145.284 -107.612 -191.31 PRESSAVG: 1871800 -22.9332 28.1049 -23.0784 28.1049 31.6066 -3.75111 -23.0785 -3.75106 2.27999 GPRESSAVG: 1871800 -23.5891 26.2407 -22.4773 31.0718 31.9805 -2.15378 -23.6645 -4.69366 2.54464 TIMING: 1871800 CPU: 5644.64, 0.00299824/step Wall: 5644.64, 0.00299824/step, 2.6053 hours remaining, 209.687500 MB of memory in use. ENERGY: 1871800 781.2970 2071.1149 1926.6471 107.5203 -206403.0914 17710.0490 0.0000 0.0000 34230.7591 -149575.7041 298.9457 -183806.4631 -149477.3255 298.5911 -215.9320 -184.4444 556863.6132 3.6511 3.6454 PRESSURE: 1872000 -200.231 40.7271 114.308 40.7256 -103.358 12.6739 114.306 12.6739 -305.582 GPRESSURE: 1872000 -199.507 89.6517 132.279 19.6293 -57.7647 17.4663 56.426 -35.4092 -258.006 PRESSAVG: 1872000 -59.8038 7.11665 -40.1345 7.1167 22.4242 4.3637 -40.1346 4.36364 30.021 GPRESSAVG: 1872000 -59.4754 8.37544 -40.5894 5.15664 22.4251 3.91552 -40.6614 4.66148 30.1066 TIMING: 1872000 CPU: 5645.25, 0.00301326/step Wall: 5645.25, 0.00301326/step, 2.61819 hours remaining, 209.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1872000 761.1102 2082.6279 1951.8864 110.5077 -206081.9750 17421.7943 0.0000 0.0000 34214.8405 -149539.2080 298.8067 -183754.0485 -149446.1027 297.9649 -203.0570 -171.7595 555578.9393 -2.4529 -2.3146 PRESSURE: 1872200 -203.527 -93.5339 -80.001 -93.5354 189.895 -90.1689 -80.0021 -90.168 -117.095 GPRESSURE: 1872200 -141.366 8.36915 -63.758 -207.306 230.55 -77.2522 -76.05 -40.2934 -135.625 PRESSAVG: 1872200 -19.538 -13.2335 -42.7584 -13.2335 37.1441 4.77957 -42.7584 4.77957 9.65674 GPRESSAVG: 1872200 -18.821 -15.544 -43.7473 -11.2955 37.9205 4.59848 -40.9944 5.37376 8.30746 TIMING: 1872200 CPU: 5645.85, 0.00303045/step Wall: 5645.85, 0.00303045/step, 2.63296 hours remaining, 209.687500 MB of memory in use. ENERGY: 1872200 735.2857 2079.2596 1924.5915 97.6791 -206350.4957 17604.9622 0.0000 0.0000 34437.2856 -149471.4319 300.7494 -183908.7175 -149365.6207 299.1699 -43.5757 -15.4804 555466.8761 9.0876 9.1356 LDB: ============= START OF LOAD BALANCING ============== 5649.37 LDB: ============== END OF LOAD BALANCING =============== 5649.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5649.38 LDB: ============= START OF LOAD BALANCING ============== 5649.68 LDB: Largest compute 4800 load 0.029504 is 25.0% of average load 0.118141 LDB: Average compute 0.001716 is 1.5% of average load 0.118141 LDB: TIME 5649.68 LOAD: AVG 0.118141 MAX 0.208967 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 5649.68 LOAD: AVG 0.118141 MAX 0.208967 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: TIME 5649.68 LOAD: AVG 0.118141 MAX 0.208967 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5649.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5649.69 PRESSURE: 1872400 -100.824 -13.8007 -100.726 -13.801 -199.552 -83.0781 -100.726 -83.0794 -62.3385 GPRESSURE: 1872400 -105.338 -20.5103 -158.774 -100.684 -135.045 -3.60836 -23.8031 -165.923 -33.187 PRESSAVG: 1872400 -88.9243 -43.5854 -60.6041 -43.5853 89.1931 9.94617 -60.6041 9.94612 38.6735 GPRESSAVG: 1872400 -90.4641 -42.5003 -59.7116 -44.0144 88.6085 11.8296 -60.409 7.94374 40.5214 TIMING: 1872400 CPU: 5646.47, 0.00307712/step Wall: 5646.47, 0.00307712/step, 2.67334 hours remaining, 208.785156 MB of memory in use. ENERGY: 1872400 749.4741 2050.7144 1935.7641 115.8814 -206365.6931 17864.1503 0.0000 0.0000 34080.0798 -149569.6290 297.6298 -183649.7088 -149477.4453 298.3852 -120.9047 -91.1899 556951.4738 12.9808 12.8886 PRESSURE: 1872600 -105.064 23.9922 67.4937 23.9933 -68.0156 141.294 67.4934 141.294 -131.569 GPRESSURE: 1872600 -51.7017 37.2704 24.0132 -10.5584 -66.5166 100.991 58.3503 149.412 -83.2803 PRESSAVG: 1872600 -29.4953 -27.2916 -82.854 -27.2916 3.8967 -13.5889 -82.854 -13.5889 26.3878 GPRESSAVG: 1872600 -28.2552 -27.4503 -83.0878 -26.4572 3.38719 -17.4572 -83.5821 -10.4659 25.8537 TIMING: 1872600 CPU: 5647.07, 0.00301746/step Wall: 5647.07, 0.00301746/step, 2.62134 hours remaining, 208.785156 MB of memory in use. ENERGY: 1872600 739.7931 2046.8330 1925.6726 119.3607 -206062.8183 17560.5024 0.0000 0.0000 34044.7346 -149625.9219 297.3211 -183670.6565 -149524.4676 298.0942 -101.5494 -67.1662 557301.6684 0.2631 0.3286 PRESSURE: 1872800 10.1459 14.5285 173.845 14.5282 97.0746 -70.9151 173.844 -70.9165 111.08 GPRESSURE: 1872800 44.0872 32.3888 264.6 44.9056 108.212 -50.5246 124.654 -102.103 163.085 PRESSAVG: 1872800 -49.0455 -56.0162 -6.30646 -56.0161 26.8041 -7.92844 -6.30643 -7.9286 35.2609 GPRESSAVG: 1872800 -50.8126 -57.5278 -6.38974 -54.5457 27.6904 -5.94428 -7.00094 -8.62382 35.8403 TIMING: 1872800 CPU: 5647.68, 0.0030118/step Wall: 5647.68, 0.0030118/step, 2.61625 hours remaining, 208.785156 MB of memory in use. ENERGY: 1872800 713.5870 2016.8018 1944.7195 105.6480 -206611.6849 17864.1553 0.0000 0.0000 34346.6999 -149620.0733 299.9583 -183966.7732 -149522.1874 297.7205 72.7667 105.1282 555881.4948 4.3398 4.2394 PRESSURE: 1873000 -127.68 76.5347 -44.4556 76.5349 -29.6945 -179.202 -44.4562 -179.203 78.3605 GPRESSURE: 1873000 -57.7088 104.746 85.9724 99.8231 4.44809 -201.318 15.5433 -100.347 59.6243 PRESSAVG: 1873000 -38.4245 -18.3747 -6.76783 -18.3745 19.3488 -23.6304 -6.76788 -23.6304 21.8166 GPRESSAVG: 1873000 -37.0669 -16.6086 -6.82043 -20.2858 18.7882 -24.3435 -7.47291 -24.8492 21.1988 TIMING: 1873000 CPU: 5648.28, 0.0030205/step Wall: 5648.28, 0.0030205/step, 2.62364 hours remaining, 208.785156 MB of memory in use. ENERGY: 1873000 739.5320 2024.8149 1952.4449 111.4342 -206257.4843 17820.1763 0.0000 0.0000 34046.4900 -149562.5922 297.3365 -183609.0822 -149470.6164 298.1872 -26.3381 2.1212 556929.2019 0.9136 0.9733 PRESSURE: 1873200 27.5261 67.5867 -46.3454 67.5868 79.0118 86.7024 -46.3439 86.7018 149.047 GPRESSURE: 1873200 87.6699 108.342 -100.117 -41.0193 142.335 106.343 15.32 17.9626 122.68 PRESSAVG: 1873200 -2.79488 2.58877 -36.2986 2.5888 -15.7615 5.76978 -36.2985 5.76982 31.1443 GPRESSAVG: 1873200 -1.9704 4.70896 -36.0399 1.16641 -15.6585 5.08993 -34.6428 7.0163 30.1577 TIMING: 1873200 CPU: 5648.89, 0.00303418/step Wall: 5648.89, 0.00303418/step, 2.63536 hours remaining, 208.785156 MB of memory in use. ENERGY: 1873200 774.1412 2070.5415 1914.5642 99.8554 -206472.7763 18072.9400 0.0000 0.0000 34031.4558 -149509.2781 297.2052 -183540.7339 -149421.4108 297.4058 85.1951 117.5617 557461.5511 4.1960 4.1763 PRESSURE: 1873400 72.0897 -140.437 36.8277 -140.436 43.7039 14.0649 36.8288 14.0635 -145.704 GPRESSURE: 1873400 92.7816 -182.01 -63.1868 -74.0302 65.8062 -1.79824 70.5458 50.6281 -94.3069 PRESSAVG: 1873400 -5.92547 37.3648 -45.8051 37.3648 -32.5041 8.3374 -45.8051 8.33727 56.2725 GPRESSAVG: 1873400 -6.94024 34.0472 -45.337 38.263 -32.3957 9.70331 -46.1436 7.38461 56.8874 TIMING: 1873400 CPU: 5649.49, 0.0030352/step Wall: 5649.49, 0.0030352/step, 2.63607 hours remaining, 208.785156 MB of memory in use. ENERGY: 1873400 791.0791 2067.3958 1943.2490 127.0522 -206216.1575 17825.0665 0.0000 0.0000 34272.5652 -149189.7497 299.3108 -183462.3150 -149095.2635 298.5274 -9.9701 21.4270 558242.2383 5.9476 5.8505 PRESSURE: 1873600 2.84888 -105.206 -102.826 -105.207 -146.649 4.60341 -102.826 4.60286 -180.57 GPRESSURE: 1873600 -4.18271 -194.706 -88.7047 23.9724 -112.203 45.2789 -153.822 -20.5614 -120.891 PRESSAVG: 1873600 18.0545 3.71728 34.6477 3.71732 9.59628 -24.2599 34.6477 -24.26 -31.757 GPRESSAVG: 1873600 17.1302 4.32134 34.2339 4.11526 8.96429 -24.2712 33.5417 -24.1925 -30.4242 TIMING: 1873600 CPU: 5650.1, 0.00302357/step Wall: 5650.1, 0.00302357/step, 2.6258 hours remaining, 208.785156 MB of memory in use. ENERGY: 1873600 714.4666 2069.1713 1945.5915 109.0622 -205753.5019 17507.6239 0.0000 0.0000 34025.6289 -149381.9576 297.1543 -183407.5865 -149282.9062 299.2667 -108.1234 -79.0923 557758.5751 -1.3687 -1.4433 PRESSURE: 1873800 -258.296 27.4643 -10.4601 27.4643 -91.8849 -21.082 -10.4605 -21.0828 -157.855 GPRESSURE: 1873800 -206.151 -27.9286 -83.836 118.013 -31.0952 -39.0611 -26.7547 0.602558 -168.716 PRESSAVG: 1873800 73.8785 1.68179 -20.0719 1.6817 -24.9455 31.339 -20.072 31.339 -5.27809 GPRESSAVG: 1873800 72.5697 2.6054 -19.9746 -0.843075 -24.5652 31.4771 -19.795 32.3866 -5.05179 TIMING: 1873800 CPU: 5650.7, 0.00300798/step Wall: 5650.7, 0.00300798/step, 2.61209 hours remaining, 208.785156 MB of memory in use. ENERGY: 1873800 758.6378 2087.0086 1933.2790 116.7088 -206321.8617 17749.6840 0.0000 0.0000 34190.1584 -149486.3851 298.5912 -183676.5435 -149389.2828 298.1919 -169.3452 -135.3207 558456.3236 14.5517 14.3176 PRESSURE: 1874000 194.385 72.6076 67.5544 72.6076 41.6694 100.331 67.5531 100.331 268.953 GPRESSURE: 1874000 267.778 78.8061 164.827 -15.973 87.8226 193.811 61.2398 67.8367 242.436 PRESSAVG: 1874000 55.7492 15.406 35.9192 15.4061 -15.4636 -4.26211 35.9192 -4.26215 -51.0133 GPRESSAVG: 1874000 57.0619 14.5737 34.198 15.7285 -14.5614 -4.53225 37.1614 -4.72203 -52.8338 TIMING: 1874000 CPU: 5651.3, 0.00299318/step Wall: 5651.3, 0.00299318/step, 2.59908 hours remaining, 208.785156 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: 1874000 741.4242 2057.8070 1927.4829 113.4173 -206554.2023 18017.3091 0.0000 0.0000 34292.5097 -149404.2521 299.4850 -183696.7618 -149308.9700 298.7535 168.3358 199.3455 556218.1527 -3.5759 -3.4444 PRESSURE: 1874200 -420.71 -151.423 -190.04 -151.421 -199.637 18.8607 -190.04 18.8601 -79.0692 GPRESSURE: 1874200 -397.136 -139.173 -274.463 -178.933 -177.184 -59.7047 -250.105 6.04653 -25.5785 PRESSAVG: 1874200 -10.8119 -41.8181 25.8 -41.8182 8.91099 32.042 25.8001 32.0419 21.1733 GPRESSAVG: 1874200 -9.74069 -42.014 26.5706 -40.5506 8.35705 30.9567 22.9954 31.1725 20.9468 TIMING: 1874200 CPU: 5651.9, 0.00300441/step Wall: 5651.9, 0.00300441/step, 2.60866 hours remaining, 209.191406 MB of memory in use. ENERGY: 1874200 752.1515 2097.8794 1948.0276 104.0319 -205581.8254 17422.6369 0.0000 0.0000 33939.4101 -149317.6880 296.4013 -183257.0981 -149220.4710 299.2730 -233.1386 -199.9663 556699.9153 6.4241 6.5211 PRESSURE: 1874400 -153.25 39.7122 43.8411 39.7121 -194.981 58.3659 43.8413 58.3662 59.8239 GPRESSURE: 1874400 -132.813 51.1228 -1.8914 49.5539 -107.608 93.7875 40.1478 88.8629 55.4602 PRESSAVG: 1874400 8.37778 10.8225 -41.9343 10.8226 17.1279 18.6236 -41.9343 18.6237 4.69564 GPRESSAVG: 1874400 7.63241 11.1762 -41.2681 11.1332 16.855 17.6076 -40.4412 17.6297 5.82719 TIMING: 1874400 CPU: 5652.5, 0.00299086/step Wall: 5652.5, 0.00299086/step, 2.59673 hours remaining, 209.191406 MB of memory in use. ENERGY: 1874400 719.7169 2130.3253 1899.7005 108.4844 -206185.9790 17770.2527 0.0000 0.0000 34153.3834 -149404.1158 298.2700 -183557.4992 -149307.7073 299.3225 -96.1358 -61.6536 557635.4790 10.0671 10.1049 PRESSURE: 1874600 69.9003 104.546 89.4737 104.547 -116.512 -96.1459 89.4739 -96.1458 161.649 GPRESSURE: 1874600 57.8585 89.7196 169.353 139.253 -23.6814 -189.645 4.2733 -31.1705 182.046 PRESSAVG: 1874600 21.6387 -31.7844 -15.4137 -31.7845 -31.2414 -8.23367 -15.4137 -8.23353 -18.6731 GPRESSAVG: 1874600 22.4866 -31.6591 -16.6568 -31.2514 -30.124 -6.9442 -15.5313 -7.57673 -20.9256 TIMING: 1874600 CPU: 5653.1, 0.00303095/step Wall: 5653.1, 0.00303095/step, 2.63137 hours remaining, 209.191406 MB of memory in use. ENERGY: 1874600 739.7272 2110.0320 1935.6028 107.1892 -206523.8775 17937.8782 0.0000 0.0000 34360.9419 -149332.5062 300.0827 -183693.4481 -149236.5925 298.9004 38.3458 72.0742 557408.9067 -9.4253 -9.5210 PRESSURE: 1874800 59.1702 9.61234 -168.175 9.61213 -185.56 -160.954 -168.176 -160.955 -354.765 GPRESSURE: 1874800 38.5016 -15.8873 -94.8768 82.3444 -129.752 -39.4269 -137.029 -229.622 -274.429 PRESSAVG: 1874800 48.7437 5.32431 -26.8357 5.32424 -67.3974 9.82541 -26.8358 9.82522 -12.0644 GPRESSAVG: 1874800 48.3267 4.59413 -25.6804 4.54939 -68.3974 10.2756 -27.0213 10.5957 -10.559 TIMING: 1874800 CPU: 5653.71, 0.00301903/step Wall: 5653.71, 0.00301903/step, 2.62085 hours remaining, 209.191406 MB of memory in use. ENERGY: 1874800 730.7197 2014.8866 1923.6209 110.4632 -206152.2794 17650.8508 0.0000 0.0000 34304.1715 -149417.5667 299.5869 -183721.7382 -149315.3555 298.5705 -160.3848 -121.8929 557241.4401 -10.2394 -10.2099 PRESSURE: 1875000 -20.9358 -112.258 173.946 -112.257 178.441 -25.0042 173.946 -25.0046 6.01608 GPRESSURE: 1875000 65.4123 -119.719 113.522 -124.977 171.187 -26.801 175.905 -16.6347 24.8402 PRESSAVG: 1875000 9.86169 11.425 -19.4333 11.4251 -3.86124 -24.1645 -19.4333 -24.1645 -9.48412 GPRESSAVG: 1875000 10.2029 11.823 -21.0556 12.6556 -4.72132 -23.6283 -20.1569 -24.5854 -9.06455 TIMING: 1875000 CPU: 5654.31, 0.00299466/step Wall: 5654.31, 0.00299466/step, 2.59953 hours remaining, 209.191406 MB of memory in use. ENERGY: 1875000 747.8840 2063.6198 1935.0050 110.5795 -206389.2242 17882.0740 0.0000 0.0000 34212.9101 -149437.1518 298.7899 -183650.0620 -149344.6393 298.5853 54.5070 87.1463 556468.9914 -1.1612 -1.1943 PRESSURE: 1875200 76.8899 -114.756 28.028 -114.756 231.693 158.448 28.0278 158.448 -94.7402 GPRESSURE: 1875200 72.6265 2.94576 90.9953 -72.0962 296.877 178.519 24.0004 120.037 -63.7712 PRESSAVG: 1875200 8.31545 -10.5239 -13.0029 -10.524 6.57429 -5.54819 -13.0029 -5.54814 -60.0057 GPRESSAVG: 1875200 7.677 -11.1006 -11.9553 -10.7864 6.91428 -6.84504 -11.4314 -4.20641 -59.49 TIMING: 1875200 CPU: 5654.91, 0.00302594/step Wall: 5654.91, 0.00302594/step, 2.62651 hours remaining, 209.191406 MB of memory in use. ENERGY: 1875200 787.0490 2041.4953 1913.3722 117.6820 -206121.8861 17966.4193 0.0000 0.0000 34066.9623 -149228.9060 297.5153 -183295.8684 -149135.1988 298.5628 71.2807 101.9109 558057.0376 -15.0387 -14.9663 PRESSURE: 1875400 -391.51 74.1746 -57.4524 74.1744 245.929 -100.599 -57.4504 -100.599 79.8968 GPRESSURE: 1875400 -345.365 16.6243 -23.0929 38.8892 222.446 2.18208 -108.19 -64.6491 150.677 PRESSAVG: 1875400 0.538765 -19.1518 -6.85492 -19.1517 25.2322 5.47065 -6.85487 5.47062 15.8364 GPRESSAVG: 1875400 0.88373 -19.3171 -8.31856 -18.6944 25.8293 7.10593 -6.17691 3.71246 15.0718 TIMING: 1875400 CPU: 5655.52, 0.0030342/step Wall: 5655.52, 0.0030342/step, 2.63352 hours remaining, 209.191406 MB of memory in use. ENERGY: 1875400 700.0428 2071.9184 1933.7519 117.6354 -206150.6210 17762.2439 0.0000 0.0000 34399.1228 -149165.9059 300.4161 -183565.0286 -149071.6265 299.6231 -21.8945 9.2525 559973.9122 13.8691 13.9283 PRESSURE: 1875600 -51.8414 -106.313 112.023 -106.315 61.3091 -144.757 112.024 -144.756 125.592 GPRESSURE: 1875600 -31.2085 -105.434 145.935 -45.0085 110.544 -135.17 112.255 -80.1181 149.484 PRESSAVG: 1875600 -18.0592 24.7218 -23.1645 24.7217 -33.1035 -29.8274 -23.1645 -29.8274 12.9614 GPRESSAVG: 1875600 -17.5719 23.0041 -21.8787 25.9961 -33.135 -31.2069 -23.7638 -27.4341 12.7524 TIMING: 1875600 CPU: 5656.11, 0.00297896/step Wall: 5656.11, 0.00297896/step, 2.58541 hours remaining, 209.191406 MB of memory in use. ENERGY: 1875600 718.0202 2124.7063 1918.1308 117.2966 -206550.7161 18064.3132 0.0000 0.0000 34429.7469 -149178.5021 300.6835 -183608.2491 -149082.1022 299.7587 45.0198 76.2730 558371.2705 -12.7338 -12.6515 PRESSURE: 1875800 -157.221 29.7935 -12.5551 29.7927 -80.1271 129.75 -12.5561 129.749 167.311 GPRESSURE: 1875800 -97.929 27.5096 -42.8794 24.9681 -48.1098 130.039 -64.8171 101.234 186.027 PRESSAVG: 1875800 21.8997 16.6075 -13.5748 16.6073 -39.3614 -8.43699 -13.5749 -8.43695 36.426 GPRESSAVG: 1875800 21.458 18.4416 -11.0151 17.2355 -39.9837 -7.16725 -15.9507 -12.0545 38.0019 TIMING: 1875800 CPU: 5656.71, 0.00297967/step Wall: 5656.71, 0.00297967/step, 2.58586 hours remaining, 209.191406 MB of memory in use. ENERGY: 1875800 760.8547 2107.6730 1900.3168 112.7833 -206193.7348 17751.1017 0.0000 0.0000 34286.3292 -149274.6761 299.4310 -183561.0053 -149179.6016 299.7553 -23.3456 13.3293 557728.2146 6.3215 6.4921 PRESSURE: 1876000 -209.454 157.273 -160.607 157.272 14.8342 129.242 -160.605 129.241 150.069 GPRESSURE: 1876000 -171.581 145.11 -202.684 113.729 -5.39287 124.416 -111.03 118.449 232.486 PRESSAVG: 1876000 -12.9872 -7.22313 14.3804 -7.22311 -51.2966 14.3691 14.3804 14.369 33.547 GPRESSAVG: 1876000 -12.3774 -6.82115 13.53 -8.62757 -50.3764 12.9232 14.9295 15.6854 32.1929 TIMING: 1876000 CPU: 5657.31, 0.0030208/step Wall: 5657.31, 0.0030208/step, 2.62139 hours remaining, 209.191406 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: 1876000 757.8946 2119.6710 1917.6050 117.8187 -206370.9419 17980.1056 0.0000 0.0000 34234.4828 -149243.3642 298.9783 -183477.8470 -149145.6779 299.7678 -14.8505 18.5040 558040.7949 -10.2456 -10.1870 PRESSURE: 1876200 22.0856 -4.84876 -144.351 -4.84925 35.3538 -103.501 -144.353 -103.502 -250.222 GPRESSURE: 1876200 64.8878 -99.373 -155.066 32.6657 62.5736 -38.2252 -133.781 -100.842 -219.727 PRESSAVG: 1876200 23.246 -24.0634 -9.95473 -24.0636 -10.1765 -41.8842 -9.95475 -41.8844 -46.7923 GPRESSAVG: 1876200 22.1016 -24.7673 -10.4718 -25.5504 -9.81636 -41.2411 -7.75059 -42.3797 -46.3266 TIMING: 1876200 CPU: 5657.91, 0.00299869/step Wall: 5657.91, 0.00299869/step, 2.60203 hours remaining, 209.191406 MB of memory in use. ENERGY: 1876200 753.8833 2102.1138 1912.6732 117.3162 -205999.7863 17578.8827 0.0000 0.0000 34316.7200 -149218.1972 299.6965 -183534.9172 -149116.0416 299.4202 -64.2608 -30.7552 557084.1709 -11.2409 -11.3471 LDB: ============= START OF LOAD BALANCING ============== 5661.43 LDB: ============== END OF LOAD BALANCING =============== 5661.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5661.43 LDB: ============= START OF LOAD BALANCING ============== 5661.74 LDB: Largest compute 4800 load 0.029726 is 25.2% of average load 0.118070 LDB: Average compute 0.001727 is 1.5% of average load 0.118070 LDB: TIME 5661.74 LOAD: AVG 0.11807 MAX 0.21131 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.145 MB LDB: TIME 5661.74 LOAD: AVG 0.11807 MAX 0.21131 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.379 MB LDB: TIME 5661.74 LOAD: AVG 0.11807 MAX 0.21131 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.379 MB LDB: ============== END OF LOAD BALANCING =============== 5661.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5661.75 PRESSURE: 1876400 -240.422 -49.8406 79.1875 -49.8401 -85.8401 -111.829 79.1879 -111.83 -353.343 GPRESSURE: 1876400 -229.333 -92.1574 21.5208 -7.24761 -58.9437 -123.243 97.9022 -116.702 -289.35 PRESSAVG: 1876400 68.0023 -32.1275 -10.4881 -32.1276 -35.9305 -2.69261 -10.4881 -2.69272 -54.163 GPRESSAVG: 1876400 66.9145 -34.9322 -8.67889 -29.158 -35.5342 -4.18149 -11.8481 -1.19658 -53.8648 TIMING: 1876400 CPU: 5658.53, 0.00308148/step Wall: 5658.53, 0.00308148/step, 2.6737 hours remaining, 207.359375 MB of memory in use. ENERGY: 1876400 744.0937 2102.5917 1893.4111 138.0555 -205993.8751 17451.4897 0.0000 0.0000 34493.1314 -149171.1021 301.2371 -183664.2336 -149073.0088 299.3809 -226.5352 -192.5423 557638.5764 -7.3637 -7.4948 PRESSURE: 1876600 -52.0617 -3.49235 -119.535 -3.49272 3.29662 -34.8319 -119.534 -34.8318 -58.111 GPRESSURE: 1876600 -0.158517 -9.21431 -155.142 -22.0143 26.7935 -55.4685 -121.275 -2.34196 -33.7476 PRESSAVG: 1876600 -14.745 -19.0423 13.1158 -19.0423 -20.0564 1.45122 13.1156 1.45124 64.392 GPRESSAVG: 1876600 -12.728 -15.1599 11.9481 -22.119 -21.1085 1.9873 14.3488 0.185742 63.8562 TIMING: 1876600 CPU: 5659.14, 0.00303725/step Wall: 5659.14, 0.00303725/step, 2.63515 hours remaining, 207.359375 MB of memory in use. ENERGY: 1876600 759.0981 2060.2329 1936.5920 130.9209 -206415.6544 17865.5794 0.0000 0.0000 34341.6631 -149321.5679 299.9143 -183663.2310 -149221.6822 299.2547 -35.6254 -2.3709 557000.2904 9.8635 10.0066 PRESSURE: 1876800 -238.827 -48.681 -118.737 -48.6824 -180.329 -175.415 -118.736 -175.415 -70.7306 GPRESSURE: 1876800 -158.867 -51.307 34.2974 -67.8194 -142.579 -187.025 -122.052 -185.575 -82.5703 PRESSAVG: 1876800 -16.1454 8.85653 -24.2566 8.85656 2.54699 9.87365 -24.2566 9.87373 -28.0544 GPRESSAVG: 1876800 -15.0415 5.43133 -24.4137 12.5799 1.57246 10.5728 -26.3164 8.78928 -28.353 TIMING: 1876800 CPU: 5659.74, 0.00300734/step Wall: 5659.74, 0.00300734/step, 2.60903 hours remaining, 207.359375 MB of memory in use. ENERGY: 1876800 747.2989 2095.0600 1947.5259 125.9015 -206041.7450 17568.4279 0.0000 0.0000 34211.6224 -149345.9085 298.7786 -183557.5308 -149248.9987 298.8529 -163.2957 -128.0053 557164.9032 -13.8843 -13.9407 PRESSURE: 1877000 13.742 59.8968 -110.871 59.8965 -85.5521 -56.5182 -110.872 -56.5182 -77.7814 GPRESSURE: 1877000 97.7116 18.8885 -50.4221 172.59 -28.6883 8.56558 -152.563 -161.64 -127.142 PRESSAVG: 1877000 -24.0087 18.883 -32.4547 18.883 61.4967 -9.8878 -32.4546 -9.88788 9.85207 GPRESSAVG: 1877000 -24.6407 20.605 -31.8476 16.0494 62.0033 -7.8151 -31.1683 -9.36168 10.371 TIMING: 1877000 CPU: 5660.34, 0.00300257/step Wall: 5660.34, 0.00300257/step, 2.60473 hours remaining, 207.359375 MB of memory in use. ENERGY: 1877000 710.4960 2066.1842 1954.7561 119.3355 -206086.4653 17701.5729 0.0000 0.0000 33965.5177 -149568.6030 296.6293 -183534.1206 -149475.0691 299.3072 -49.8638 -19.3728 557328.0411 15.7800 15.9112 PRESSURE: 1877200 130.39 71.8539 -111.179 71.8523 167.281 -100.158 -111.178 -100.156 -79.8135 GPRESSURE: 1877200 130.704 57.0434 -92.1738 81.5397 244.68 -121.509 -103.392 -139.684 -52.0485 PRESSAVG: 1877200 19.5538 -17.1023 27.6085 -17.1024 48.6914 -59.4388 27.6085 -59.4388 -62.3868 GPRESSAVG: 1877200 18.9751 -15.3875 25.5318 -19.1222 47.3562 -62.2552 26.9394 -59.0822 -61.0242 TIMING: 1877200 CPU: 5660.95, 0.0030314/step Wall: 5660.95, 0.0030314/step, 2.62957 hours remaining, 207.359375 MB of memory in use. ENERGY: 1877200 740.1422 2161.8995 1946.7184 101.4650 -206477.0128 17831.8831 0.0000 0.0000 34096.7587 -149598.1459 297.7755 -183694.9046 -149498.2389 298.5654 72.6191 107.7786 554464.8555 1.9528 1.7690 PRESSURE: 1877400 -52.7567 57.9509 -57.5836 57.9498 -363.618 70.933 -57.5821 70.933 -12.3303 GPRESSURE: 1877400 -71.9742 116.074 -43.0152 109.395 -369.832 93.24 -85.2615 96.6102 118.46 PRESSAVG: 1877400 -48.4239 6.04306 -31.8432 6.04297 12.6709 -0.269631 -31.8432 -0.269666 69.6071 GPRESSAVG: 1877400 -48.8328 5.02998 -31.9435 8.80622 15.0318 -0.620061 -32.206 0.204599 68.5158 TIMING: 1877400 CPU: 5661.55, 0.00300715/step Wall: 5661.55, 0.00300715/step, 2.60837 hours remaining, 207.359375 MB of memory in use. ENERGY: 1877400 753.7587 2104.7939 1930.6966 118.4912 -206465.1204 17630.9014 0.0000 0.0000 34325.5279 -149600.9508 299.7734 -183926.4786 -149503.9449 298.7838 -142.9018 -107.7821 556275.2842 11.2847 11.5716 PRESSURE: 1877600 19.1492 -196.481 73.9663 -196.481 -199.731 -32.6757 73.9669 -32.6751 46.3099 GPRESSURE: 1877600 10.2206 -107.904 55.9681 -212.81 -225.054 -17.7395 99.3496 -48.9864 174.989 PRESSAVG: 1877600 86.8649 28.7213 -34.1168 28.7213 -0.328989 -3.38744 -34.1168 -3.38737 -69.2695 GPRESSAVG: 1877600 88.5635 28.4898 -33.9415 25.9112 -1.83677 -2.9719 -34.7151 -4.70134 -69.6632 TIMING: 1877600 CPU: 5662.15, 0.00303429/step Wall: 5662.15, 0.00303429/step, 2.63174 hours remaining, 207.359375 MB of memory in use. ENERGY: 1877600 778.1064 2084.5556 1946.5435 118.0129 -206762.8322 17935.3663 0.0000 0.0000 34376.4361 -149523.8114 300.2180 -183900.2475 -149429.0703 299.2014 -44.7572 -13.2814 555116.8952 5.7555 5.6878 PRESSURE: 1877800 189.592 10.3187 -143.255 10.319 35.2622 -41.3616 -143.255 -41.3615 4.11557 GPRESSURE: 1877800 177.698 -33.8202 -95.401 85.1306 66.817 -57.7868 -152.943 -112.548 87.6357 PRESSAVG: 1877800 -11.4006 29.8341 -26.8071 29.834 -30.0755 19.3482 -26.807 19.3481 5.00859 GPRESSAVG: 1877800 -13.1066 32.012 -27.9896 29.7611 -29.2471 19.5525 -25.5614 19.0673 5.59039 TIMING: 1877800 CPU: 5662.76, 0.00300692/step Wall: 5662.76, 0.00300692/step, 2.60783 hours remaining, 207.359375 MB of memory in use. ENERGY: 1877800 770.2120 2051.4256 1934.6329 121.3156 -206622.5520 17950.3522 0.0000 0.0000 34338.0586 -149456.5552 299.8828 -183794.6138 -149354.1175 298.1238 76.3232 110.7169 556671.7656 -12.1558 -12.2544 PRESSURE: 1878000 -33.9089 -75.3997 -38.154 -75.3993 60.6736 -73.3833 -38.1536 -73.3847 91.5756 GPRESSURE: 1878000 12.4635 -136.392 -0.755333 -83.2317 61.3881 -60.5442 14.8189 -25.2182 134.064 PRESSAVG: 1878000 64.949 9.32791 -12.729 9.32794 48.8889 21.4879 -12.7289 21.488 -92.3034 GPRESSAVG: 1878000 65.4595 6.10317 -9.88903 11.5443 48.6958 20.8984 -13.5786 24.0594 -93.2456 TIMING: 1878000 CPU: 5663.35, 0.00299691/step Wall: 5663.35, 0.00299691/step, 2.59899 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: 1878000 745.6424 2057.1122 1932.6447 97.0631 -206407.6646 17878.1434 0.0000 0.0000 34281.1751 -149415.8838 299.3860 -183697.0588 -149319.0295 298.7337 39.4468 69.3051 556579.5871 7.1782 6.9699 PRESSURE: 1878200 66.4534 -24.9293 -118.771 -24.9292 228.774 -39.9822 -118.771 -39.9836 216.703 GPRESSURE: 1878200 107.191 -24.7197 -129.323 30.5878 241.373 -44.529 -179.653 -52.6437 270.401 PRESSAVG: 1878200 -21.7809 -20.727 -40.4274 -20.7271 -18.1561 -56.6226 -40.4273 -56.6227 4.29118 GPRESSAVG: 1878200 -21.054 -17.933 -41.8095 -20.2496 -19.8794 -54.1958 -41.1027 -58.348 5.30137 TIMING: 1878200 CPU: 5663.96, 0.00301793/step Wall: 5663.96, 0.00301793/step, 2.61705 hours remaining, 207.359375 MB of memory in use. ENERGY: 1878200 731.1245 2072.3386 1943.0957 118.7253 -206725.8385 18043.8460 0.0000 0.0000 34363.1899 -149453.5186 300.1023 -183816.7084 -149354.1400 298.4729 170.6437 206.3215 556280.3057 -11.8819 -11.8773 PRESSURE: 1878400 -120.685 -22.3364 -19.6739 -22.3365 128.138 115.743 -19.6738 115.744 225.906 GPRESSURE: 1878400 -62.8512 34.5104 -15.7951 14.7786 182.179 108.925 -46.1686 97.4548 215.799 PRESSAVG: 1878400 10.9006 -63.6564 1.68432 -63.6564 -27.6245 -5.4795 1.6844 -5.47939 -5.13988 GPRESSAVG: 1878400 11.4884 -64.3953 -0.531246 -63.7721 -26.6078 -6.46027 4.05029 -4.61903 -5.96023 TIMING: 1878400 CPU: 5664.56, 0.00300146/step Wall: 5664.56, 0.00300146/step, 2.6026 hours remaining, 207.359375 MB of memory in use. ENERGY: 1878400 733.1263 2074.2519 1912.4173 105.3786 -206252.4104 17885.8744 0.0000 0.0000 34036.6627 -149504.6992 297.2506 -183541.3619 -149403.8853 298.3864 77.7862 111.7089 557189.9188 -7.2880 -7.0266 PRESSURE: 1878600 -117.521 -68.6567 127.695 -68.6572 -356.46 -98.8675 127.696 -98.8667 -242.034 GPRESSURE: 1878600 -97.0766 58.7162 75.9144 -190.15 -342.488 -160.61 188.244 -125.034 -192.198 PRESSAVG: 1878600 30.283 -51.9694 -66.0952 -51.9694 -85.9512 -4.69553 -66.0952 -4.69552 103.884 GPRESSAVG: 1878600 30.0627 -51.3461 -62.6547 -53.7581 -85.3718 -4.31048 -68.1056 -5.30004 103.585 TIMING: 1878600 CPU: 5665.16, 0.00300067/step Wall: 5665.16, 0.00300067/step, 2.60175 hours remaining, 207.359375 MB of memory in use. ENERGY: 1878600 741.4555 2052.7201 1941.5482 108.1391 -205348.8506 17266.0946 0.0000 0.0000 34044.1878 -149194.7052 297.3164 -183238.8930 -149101.7298 298.1896 -238.6715 -210.5876 557858.1955 16.0718 16.0920 PRESSURE: 1878800 25.5087 -16.6629 -35.6835 -16.6633 -67.7848 27.9726 -35.6846 27.9716 39.8132 GPRESSURE: 1878800 95.5236 -33.9562 -79.1583 33.4675 -62.2644 74.8938 -34.3085 -24.1918 58.3409 PRESSAVG: 1878800 0.538086 -7.98881 -20.0313 -7.98891 -35.4787 -14.7455 -20.0313 -14.7455 62.1467 GPRESSAVG: 1878800 1.06988 -8.77988 -21.5003 -6.24255 -36.2825 -13.9081 -19.5449 -16.1166 62.2914 TIMING: 1878800 CPU: 5665.76, 0.00301819/step Wall: 5665.76, 0.00301819/step, 2.61677 hours remaining, 207.359375 MB of memory in use. ENERGY: 1878800 732.8452 2060.6023 1915.2815 116.1560 -206346.0445 17896.8770 0.0000 0.0000 34145.6028 -149478.6797 298.2020 -183624.2825 -149382.9447 298.7205 -0.8210 30.5334 556846.5716 9.0687 9.0263 PRESSURE: 1879000 -148.25 1.74178 4.61669 1.74157 -264.242 -15.9614 4.61617 -15.9601 -257.008 GPRESSURE: 1879000 -106.914 32.4162 -2.57029 -23.188 -244.936 -61.6168 -0.492459 10.0911 -220.948 PRESSAVG: 1879000 26.4408 22.5997 -67.9563 22.5998 -13.1553 -12.4418 -67.9562 -12.4419 -47.3687 GPRESSAVG: 1879000 26.0584 24.3526 -65.4346 21.4373 -13.455 -12.5929 -68.9574 -10.2588 -46.4291 TIMING: 1879000 CPU: 5666.37, 0.00303252/step Wall: 5666.37, 0.00303252/step, 2.62902 hours remaining, 207.359375 MB of memory in use. ENERGY: 1879000 768.1691 2027.0012 1920.7281 110.9896 -206163.0870 17439.3185 0.0000 0.0000 34408.1808 -149488.6996 300.4952 -183896.8804 -149393.9077 298.7701 -223.1667 -190.9327 556172.3473 -11.3611 -11.2752 PRESSURE: 1879200 270.142 -25.4231 12.0203 -25.4235 56.5203 23.1609 12.0194 23.1604 2.01689 GPRESSURE: 1879200 318.752 -49.8116 115.817 -10.6082 173.93 16.947 -69.5802 14.4814 -62.767 PRESSAVG: 1879200 45.6603 -31.7491 -4.56548 -31.7492 -19.1596 -36.1531 -4.56546 -36.1531 -39.1097 GPRESSAVG: 1879200 45.5842 -32.3816 -7.50753 -30.3604 -17.882 -38.2996 -2.50335 -35.3558 -39.3963 TIMING: 1879200 CPU: 5666.97, 0.0030115/step Wall: 5666.97, 0.0030115/step, 2.61063 hours remaining, 207.359375 MB of memory in use. ENERGY: 1879200 773.0107 2065.1597 1927.4185 115.1090 -206332.7838 17963.1240 0.0000 0.0000 34176.1063 -149312.8556 298.4684 -183488.9619 -149211.0712 299.2833 109.5597 143.3049 555598.6252 -4.2030 -3.8980 PRESSURE: 1879400 -10.9312 -0.106487 -116.172 -0.10813 -36.2079 46.1941 -116.171 46.1935 -180.245 GPRESSURE: 1879400 74.2557 -51.4251 -48.7366 81.0902 4.11422 69.5538 -56.4184 4.43538 -203.824 PRESSAVG: 1879400 12.8799 -12.4487 4.15139 -12.4487 10.521 30.888 4.15143 30.888 -6.59988 GPRESSAVG: 1879400 13.0191 -12.0183 4.72003 -12.6847 10.3355 31.046 2.808 31.8886 -6.83928 TIMING: 1879400 CPU: 5667.57, 0.00301724/step Wall: 5667.57, 0.00301724/step, 2.61544 hours remaining, 207.359375 MB of memory in use. ENERGY: 1879400 755.4645 2082.3611 1890.9098 113.7203 -206216.3943 17773.2998 0.0000 0.0000 34344.6958 -149255.9431 299.9408 -183600.6389 -149161.5962 299.4270 -75.7947 -41.8179 557649.5014 5.6003 5.5051 PRESSURE: 1879600 219.088 74.4234 54.9535 74.4243 201.127 -87.3182 54.9532 -87.319 24.4541 GPRESSURE: 1879600 240.534 -9.76188 -17.0413 37.0571 201.495 -63.4837 83.0699 -92.0798 91.3713 PRESSAVG: 1879600 -16.2814 -3.26331 30.4668 -3.26335 54.6298 -4.95293 30.4667 -4.9529 -27.9105 GPRESSAVG: 1879600 -17.3915 -2.28814 29.4086 -4.33287 55.4848 -2.1366 32.124 -8.21568 -28.1858 TIMING: 1879600 CPU: 5668.18, 0.00303763/step Wall: 5668.18, 0.00303763/step, 2.63295 hours remaining, 207.359375 MB of memory in use. ENERGY: 1879600 756.7189 2056.0873 1950.0913 116.9021 -206326.9006 18081.0788 0.0000 0.0000 34158.2312 -149207.7911 298.3123 -183366.0223 -149115.7776 299.2520 148.2230 177.8002 559205.2207 3.4793 3.3025 PRESSURE: 1879800 -75.192 60.4546 -81.7179 60.4537 70.951 27.4811 -81.7179 27.4813 308.448 GPRESSURE: 1879800 -68.5959 178.08 -81.9874 -84.8577 111.742 -133.628 -71.0423 28.5434 351.039 PRESSAVG: 1879800 -2.4778 -57.1976 -12.9813 -57.1975 3.67226 -3.94588 -12.9812 -3.94586 10.4969 GPRESSAVG: 1879800 -2.7526 -59.3989 -9.61603 -57.7943 3.30266 -6.80698 -16.5097 -3.01005 11.0026 TIMING: 1879800 CPU: 5668.79, 0.00305124/step Wall: 5668.79, 0.00305124/step, 2.64458 hours remaining, 207.359375 MB of memory in use. ENERGY: 1879800 764.4963 2102.9380 1918.0368 107.7557 -206404.7206 18002.3251 0.0000 0.0000 34222.6951 -149286.4736 298.8753 -183509.1687 -149189.4990 298.9087 101.4024 131.3950 557678.9284 3.8971 3.8509 PRESSURE: 1880000 -138.793 -22.9312 171.605 -22.9307 -77.2325 55.7526 171.605 55.7516 -131.403 GPRESSURE: 1880000 -77.42 3.26578 154.916 -33.3814 -12.3868 32.1296 186.361 156.401 -167.026 PRESSAVG: 1880000 11.6284 17.3391 -46.09 17.3389 -32.22 -25.6839 -46.09 -25.6838 49.3223 GPRESSAVG: 1880000 12.1211 18.2493 -48.0641 17.7244 -32.3036 -25.0991 -42.692 -24.6873 48.6665 TIMING: 1880000 CPU: 5669.4, 0.00304651/step Wall: 5669.4, 0.00304651/step, 2.64031 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: 1880000 759.0988 1988.9823 1953.8923 110.6641 -205944.8256 17612.8532 0.0000 0.0000 34251.1405 -149268.1944 299.1237 -183519.3349 -149170.2494 298.8280 -115.8095 -85.6110 558192.5103 9.5769 9.4947 PRESSURE: 1880200 -26.974 125.717 18.6908 125.717 173.303 -137.267 18.6911 -137.265 22.1663 GPRESSURE: 1880200 59.4525 91.4003 144.426 149.066 169.946 -88.2071 -41.4173 -168.415 33.3508 PRESSAVG: 1880200 22.225 38.5941 40.6694 38.594 30.0345 -7.5335 40.6694 -7.53361 -73.1442 GPRESSAVG: 1880200 22.9288 38.936 38.2767 39.647 28.7983 -6.82308 41.1378 -7.0587 -72.5728 TIMING: 1880200 CPU: 5670.02, 0.00306952/step Wall: 5670.02, 0.00306952/step, 2.66008 hours remaining, 207.359375 MB of memory in use. ENERGY: 1880200 755.3459 2101.5968 1932.5509 113.7012 -206320.4259 17896.8291 0.0000 0.0000 34065.7574 -149454.6447 297.5047 -183520.4021 -149357.7292 298.8898 56.1650 87.5830 558203.6421 -6.9615 -6.9486 LDB: ============= START OF LOAD BALANCING ============== 5673.54 LDB: ============== END OF LOAD BALANCING =============== 5673.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5673.54 LDB: ============= START OF LOAD BALANCING ============== 5673.85 LDB: Largest compute 4800 load 0.029099 is 24.7% of average load 0.118044 LDB: Average compute 0.001727 is 1.5% of average load 0.118044 LDB: TIME 5673.85 LOAD: AVG 0.118044 MAX 0.212186 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.93 MB LDB: TIME 5673.85 LOAD: AVG 0.118044 MAX 0.212186 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.988 MB LDB: TIME 5673.85 LOAD: AVG 0.118044 MAX 0.212186 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.988 MB LDB: ============== END OF LOAD BALANCING =============== 5673.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5673.86 PRESSURE: 1880400 -56.4756 117.467 -76.3707 117.467 -108.21 26.8228 -76.3704 26.8225 -108.074 GPRESSURE: 1880400 -8.85247 85.1355 -163.989 81.4989 -113.53 64.1314 -62.0259 27.7658 -48.6594 PRESSAVG: 1880400 -0.84958 -13.8847 -24.7518 -13.8847 -42.5858 11.5316 -24.7517 11.5317 34.3227 GPRESSAVG: 1880400 -1.76104 -13.2997 -22.6241 -15.8311 -41.1995 11.9156 -26.3919 9.94543 33.9318 TIMING: 1880400 CPU: 5670.64, 0.00312505/step Wall: 5670.64, 0.00312505/step, 2.70803 hours remaining, 208.132812 MB of memory in use. ENERGY: 1880400 750.6553 2063.3442 1937.5041 110.8208 -206079.4673 17553.3983 0.0000 0.0000 34083.3480 -149580.3967 297.6584 -183663.7446 -149481.9980 298.6939 -90.9200 -57.0139 557214.9882 -3.0376 -3.0096 PRESSURE: 1880600 -252.067 101.972 -24.7267 101.97 81.9694 -52.0647 -24.7267 -52.0648 196.836 GPRESSURE: 1880600 -192.069 53.84 2.13997 158.938 113.619 -21.0734 -22.7473 -28.1429 208.029 PRESSAVG: 1880600 18.7696 47.9084 -18.1121 47.9084 -60.1927 -6.28145 -18.1121 -6.28146 52.1468 GPRESSAVG: 1880600 19.5063 47.6366 -20.324 49.8247 -61.0526 -6.50838 -16.0579 -5.37455 52.1609 TIMING: 1880600 CPU: 5671.25, 0.00306137/step Wall: 5671.25, 0.00306137/step, 2.65267 hours remaining, 208.203125 MB of memory in use. ENERGY: 1880600 742.6915 2093.3847 1957.3189 119.1748 -206599.1806 17789.0638 0.0000 0.0000 34120.0700 -149777.4769 297.9791 -183897.5469 -149681.5926 298.4530 8.9128 43.1930 558023.7918 3.5746 3.5382 PRESSURE: 1880800 -59.448 -53.3622 -57.1054 -53.3621 86.9451 70.47 -57.1081 70.4715 -160.745 GPRESSURE: 1880800 -37.0934 -6.32516 -16.158 -53.1329 97.9137 57.7391 -38.5517 -29.2867 -97.9848 PRESSAVG: 1880800 -84.7407 25.7882 -21.188 25.7882 -35.4194 5.76659 -21.188 5.76662 74.1996 GPRESSAVG: 1880800 -84.6537 25.3846 -21.0373 27.6505 -35.47 5.39297 -21.6247 5.11005 74.5013 TIMING: 1880800 CPU: 5671.87, 0.00310149/step Wall: 5671.87, 0.00310149/step, 2.68727 hours remaining, 208.203125 MB of memory in use. ENERGY: 1880800 726.3522 2040.3940 1920.3327 122.6245 -206631.1497 17753.0647 0.0000 0.0000 34209.1342 -149859.2474 298.7569 -184068.3816 -149768.7517 297.5787 -44.4161 -12.3882 556041.6725 -15.3202 -15.2075 PRESSURE: 1881000 -47.3039 -24.092 30.0064 -24.0936 -15.9148 58.6005 30.0069 58.6007 -9.22088 GPRESSURE: 1881000 -52.6793 54.4593 -7.25526 -61.6471 56.8613 48.1844 4.14931 -62.5492 8.37912 PRESSAVG: 1881000 29.889 -25.3226 17.8357 -25.3227 -55.3735 41.0222 17.8358 41.0223 22.6981 GPRESSAVG: 1881000 29.7377 -24.843 18.4905 -27.1087 -54.4227 43.0795 16.6784 39.8225 21.5716 TIMING: 1881000 CPU: 5672.49, 0.00307743/step Wall: 5672.49, 0.00307743/step, 2.66625 hours remaining, 208.203125 MB of memory in use. ENERGY: 1881000 769.3481 2052.6275 1919.5449 115.9656 -206500.9948 17893.3812 0.0000 0.0000 33952.3845 -149797.7429 296.5146 -183750.1274 -149699.5327 297.1587 -24.1465 4.1870 556864.4557 -0.9288 -1.0378 PRESSURE: 1881200 -38.7181 14.2784 14.2881 14.2797 -20.0018 -93.6571 14.2869 -93.6565 -44.6907 GPRESSURE: 1881200 44.2924 11.3268 -12.4308 -54.8417 -21.0737 -65.0248 29.0314 -32.0212 -40.028 PRESSAVG: 1881200 -24.3984 24.6654 -34.4052 24.6653 -44.863 13.8986 -34.4053 13.8986 78.0146 GPRESSAVG: 1881200 -22.8795 24.882 -33.4106 25.3737 -46.3178 13.2824 -32.9809 15.1124 78.4103 TIMING: 1881200 CPU: 5673.09, 0.00302914/step Wall: 5673.09, 0.00302914/step, 2.62424 hours remaining, 208.203125 MB of memory in use. ENERGY: 1881200 745.2873 2048.8259 1904.2291 104.5496 -206464.6955 18005.1001 0.0000 0.0000 34023.1082 -149633.5952 297.1323 -183656.7035 -149531.4538 297.9544 -34.4702 -5.6031 558855.7514 2.9177 3.0710 PRESSURE: 1881400 -312.576 -142.076 -26.7891 -142.075 -169.184 -9.24046 -26.79 -9.24083 -320.94 GPRESSURE: 1881400 -250.631 -183.893 85.3504 -71.2283 -220.778 -8.49734 20.6258 -29.1467 -239.125 PRESSAVG: 1881400 -30.0941 2.15176 0.792214 2.15179 9.9795 9.80342 0.792181 9.80325 16.6256 GPRESSAVG: 1881400 -30.6714 2.48105 1.20328 1.35473 11.0077 9.61795 -1.99587 9.49586 17.0713 TIMING: 1881400 CPU: 5673.7, 0.00302662/step Wall: 5673.7, 0.00302662/step, 2.62189 hours remaining, 208.203125 MB of memory in use. ENERGY: 1881400 706.1157 2114.5679 1908.7492 101.3578 -206134.2035 17584.6967 0.0000 0.0000 34165.7441 -149552.9720 298.3779 -183718.7161 -149457.5713 298.3343 -267.5665 -236.8449 559327.8337 -1.1630 -0.8642 PRESSURE: 1881600 170.024 13.4828 102.522 13.4832 -139.422 126.524 102.521 126.525 278.057 GPRESSURE: 1881600 184.74 110.672 77.6749 33.4221 -73.2951 34.3671 113.224 156.97 290.152 PRESSAVG: 1881600 15.4375 13.5125 -7.40725 13.5124 -15.1254 35.084 -7.40724 35.0839 25.864 GPRESSAVG: 1881600 14.9991 12.6232 -6.44406 15.7361 -14.5251 33.7764 -4.82508 35.9591 25.3736 TIMING: 1881600 CPU: 5674.31, 0.00303901/step Wall: 5674.31, 0.00303901/step, 2.63246 hours remaining, 208.203125 MB of memory in use. ENERGY: 1881600 705.2224 2069.5548 1939.7028 114.8732 -206314.5834 17926.3288 0.0000 0.0000 33947.9639 -149610.9376 296.4760 -183558.9015 -149521.0009 297.6434 102.8860 133.8655 556665.5922 8.7254 8.6158 PRESSURE: 1881800 92.3086 91.1378 -17.8971 91.1363 -78.9567 -106.142 -17.8991 -106.143 146.195 GPRESSURE: 1881800 160.23 108.242 -53.3697 84.738 6.75304 -69.0435 -42.9138 -63.31 90.0352 PRESSAVG: 1881800 -41.7201 -13.613 27.352 -13.6131 -10.8927 -32.288 27.352 -32.2881 31.9 GPRESSAVG: 1881800 -41.1056 -14.9731 25.5647 -12.7579 -12.1944 -31.7492 25.8667 -31.2938 32.5935 TIMING: 1881800 CPU: 5674.91, 0.00302824/step Wall: 5674.91, 0.00302824/step, 2.62296 hours remaining, 208.203125 MB of memory in use. ENERGY: 1881800 751.1749 2105.6175 1946.1998 112.9213 -206710.7075 18117.4058 0.0000 0.0000 34097.6080 -149579.7801 297.7829 -183677.3881 -149481.9515 297.3170 53.1822 85.6726 558186.2007 -6.9043 -6.9021 PRESSURE: 1882000 58.5357 117.245 -58.1272 117.245 75.1568 -101.242 -58.1264 -101.242 -247.513 GPRESSURE: 1882000 78.3963 95.1557 -211.455 62.6787 117.814 -74.3007 21.6504 -125.815 -217.066 PRESSAVG: 1882000 -39.983 20.7397 6.0144 20.7397 -5.95686 30.1874 6.01437 30.1875 10.9316 GPRESSAVG: 1882000 -38.8333 21.5794 3.51435 19.0424 -6.87272 29.1122 8.37345 30.2085 10.6609 TIMING: 1882000 CPU: 5675.51, 0.00300711/step Wall: 5675.51, 0.00300711/step, 2.60449 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: 1882000 747.8848 2036.0691 1906.5525 114.5399 -206597.4590 17975.3653 0.0000 0.0000 34265.8431 -149551.2043 299.2521 -183817.0474 -149460.1236 298.1179 -37.9401 -6.9517 558094.7939 -11.6694 -11.6817 PRESSURE: 1882200 18.1394 -123.804 30.5972 -123.804 81.7354 136.328 30.5959 136.326 5.41363 GPRESSURE: 1882200 34.9107 -85.9617 -33.7678 -59.5963 89.0141 131.864 82.1018 178.717 72.9854 PRESSAVG: 1882200 59.2795 10.0535 -35.1673 10.0535 -1.54405 5.40468 -35.1673 5.40475 -51.1501 GPRESSAVG: 1882200 57.7192 11.256 -34.3733 9.29052 -0.792299 6.27325 -35.3998 5.29009 -50.4583 TIMING: 1882200 CPU: 5676.12, 0.00302817/step Wall: 5676.12, 0.00302817/step, 2.62256 hours remaining, 208.203125 MB of memory in use. ENERGY: 1882200 721.0430 2114.5381 1917.8889 115.2084 -206347.3485 17832.3482 0.0000 0.0000 34176.0360 -149470.2859 298.4678 -183646.3220 -149380.7827 298.1948 35.0961 65.6367 556404.4266 2.1951 2.1562 PRESSURE: 1882400 111.763 -50.5436 100.684 -50.5431 -18.328 -119.048 100.683 -119.048 193.76 GPRESSURE: 1882400 156.238 -116.13 64.1461 -34.599 62.4095 -60.503 88.552 -173.861 169.327 PRESSAVG: 1882400 48.1564 -12.7884 53.7412 -12.7884 -57.4987 -19.681 53.7412 -19.681 2.97293 GPRESSAVG: 1882400 48.1294 -14.1813 52.936 -13.0733 -57.5387 -20.12 53.6745 -19.4239 3.27115 TIMING: 1882400 CPU: 5676.72, 0.00301981/step Wall: 5676.72, 0.00301981/step, 2.61516 hours remaining, 208.203125 MB of memory in use. ENERGY: 1882400 711.7919 2095.8471 1941.2234 112.3168 -206406.8869 18001.1192 0.0000 0.0000 34037.1389 -149507.4496 297.2548 -183544.5885 -149412.2348 298.3415 95.7316 129.3251 557030.2807 -2.1231 -2.0461 PRESSURE: 1882600 177.396 110.317 -59.5525 110.317 -5.67412 -74.211 -59.551 -74.211 -68.6547 GPRESSURE: 1882600 204.127 155.932 -20.8284 85.343 23.123 -74.0373 -135.662 -88.7315 -26.6717 PRESSAVG: 1882600 106.574 4.09307 -54.5395 4.09308 -46.4893 3.26612 -54.5395 3.26612 -43.1708 GPRESSAVG: 1882600 107.997 2.60815 -52.6254 6.11053 -45.4609 4.33651 -55.9812 3.81553 -45.2909 TIMING: 1882600 CPU: 5677.34, 0.00308381/step Wall: 5677.34, 0.00308381/step, 2.67041 hours remaining, 208.203125 MB of memory in use. ENERGY: 1882600 746.7368 2103.2982 1945.8798 129.6814 -206497.6268 17867.4830 0.0000 0.0000 34246.2381 -149458.3095 299.0809 -183704.5477 -149367.0235 298.2820 34.3557 66.8595 557231.5706 5.6380 5.7484 PRESSURE: 1882800 -45.4434 69.7848 48.5813 69.7854 -61.2459 -89.8005 48.5812 -89.8023 66.4961 GPRESSURE: 1882800 46.135 9.78549 50.528 104.48 -74.7557 -12.4248 29.2874 -101.498 84.1268 PRESSAVG: 1882800 -39.1835 3.07773 -49.1094 3.0777 -19.8214 -15.7064 -49.1094 -15.7064 12.443 GPRESSAVG: 1882800 -40.1803 5.45923 -49.7182 2.91314 -19.802 -13.985 -46.9648 -17.6412 14.0051 TIMING: 1882800 CPU: 5677.96, 0.00308226/step Wall: 5677.96, 0.00308226/step, 2.6689 hours remaining, 208.203125 MB of memory in use. ENERGY: 1882800 746.0496 2037.2248 1932.5960 121.2529 -206237.6551 17822.9764 0.0000 0.0000 34158.7240 -149418.8314 298.3166 -183577.5554 -149322.0360 298.9797 -13.3978 18.5020 558489.4406 -15.5206 -15.3257 PRESSURE: 1883000 49.2278 26.2741 -86.9109 26.2716 -89.2206 224.791 -86.9089 224.79 -68.8158 GPRESSURE: 1883000 88.4868 -82.2687 -78.6429 105.489 -79.5893 238.816 -168.291 222.494 -17.1608 PRESSAVG: 1883000 37.5025 -1.00952 -3.97677 -1.00949 -8.98874 57.6209 -3.97678 57.6208 11.993 GPRESSAVG: 1883000 37.3713 -0.736638 -3.53954 -3.11666 -8.38016 56.4428 -5.90216 60.0993 11.9772 TIMING: 1883000 CPU: 5678.56, 0.00303401/step Wall: 5678.56, 0.00303401/step, 2.62695 hours remaining, 208.203125 MB of memory in use. ENERGY: 1883000 729.1977 2092.0524 1928.4958 122.0988 -206715.9627 17992.2564 0.0000 0.0000 34509.5447 -149342.3170 301.3804 -183851.8617 -149251.0483 299.3801 -36.2695 -2.7544 558932.1190 13.5022 13.6561 PRESSURE: 1883200 -49.4766 -96.3393 -59.1453 -96.3393 83.4638 47.4915 -59.1438 47.4925 64.72 GPRESSURE: 1883200 -39.5709 -128.502 -119.168 -195.207 138.437 54.093 -96.7892 37.2657 90.2305 PRESSAVG: 1883200 24.2968 -84.4777 22.9759 -84.4777 -34.0254 22.9772 22.9759 22.9771 20.3647 GPRESSAVG: 1883200 24.789 -83.1554 23.0508 -84.799 -34.9685 22.5873 22.2429 21.3958 20.4718 TIMING: 1883200 CPU: 5679.16, 0.00300149/step Wall: 5679.16, 0.00300149/step, 2.59862 hours remaining, 208.203125 MB of memory in use. ENERGY: 1883200 721.1047 2104.4126 1933.0454 115.4930 -206489.5126 17877.5750 0.0000 0.0000 34341.7964 -149396.0856 299.9154 -183737.8820 -149301.2368 298.9189 32.9024 63.0322 557291.6359 3.5454 3.4308 PRESSURE: 1883400 111.804 13.5745 20.0429 13.5752 -307.903 198.317 20.0418 198.317 -167.651 GPRESSURE: 1883400 120.087 -50.5553 3.13523 19.8897 -271.579 169.654 35.7603 136.882 -105.078 PRESSAVG: 1883400 -11.0975 -51.5303 -13.2882 -51.5303 34.7494 28.838 -13.2881 28.838 -11.6263 GPRESSAVG: 1883400 -12.6147 -53.763 -13.611 -51.0239 35.1344 30.4085 -12.132 27.9344 -11.4621 TIMING: 1883400 CPU: 5679.77, 0.0030047/step Wall: 5679.77, 0.00300469/step, 2.60123 hours remaining, 208.203125 MB of memory in use. ENERGY: 1883400 788.2902 2099.0135 1935.3624 115.3369 -206567.4726 17985.3558 0.0000 0.0000 34282.1081 -149362.0056 299.3942 -183644.1137 -149260.0044 298.6170 -121.2502 -85.5234 558766.9451 4.0085 3.6859 PRESSURE: 1883600 -68.4591 -26.418 -14.3465 -26.4177 -11.1048 -47.3722 -14.3477 -47.3727 -61.4859 GPRESSURE: 1883600 -60.7123 75.7902 22.2211 -75.5029 39.2665 -84.6403 -20.758 50.75 -32.5946 PRESSAVG: 1883600 8.6542 -6.27453 54.3278 -6.27447 23.2952 39.3776 54.3277 39.3775 -27.4833 GPRESSAVG: 1883600 8.84644 -4.1698 54.2899 -5.85942 23.5335 37.1071 54.2709 40.9685 -28.444 TIMING: 1883600 CPU: 5680.37, 0.00301471/step Wall: 5680.37, 0.00301471/step, 2.60973 hours remaining, 208.203125 MB of memory in use. ENERGY: 1883600 763.4045 2058.8978 1929.3101 115.3027 -206600.6520 18015.7571 0.0000 0.0000 34321.6963 -149396.2835 299.7399 -183717.9798 -149295.0318 298.9898 -47.0166 -18.0135 559161.1329 1.4887 1.3120 PRESSURE: 1883800 -109.256 146.093 104.098 146.093 -252.345 82.9712 104.097 82.9713 -83.472 GPRESSURE: 1883800 -60.5078 107.31 34.1734 143.111 -203.534 48.2701 150.3 105.589 -78.149 PRESSAVG: 1883800 -10.1914 49.7115 32.6156 49.7115 -68.853 16.0165 32.6157 16.0164 42.6423 GPRESSAVG: 1883800 -11.125 47.9263 32.6865 49.2626 -68.7141 16.8032 33.0107 13.9094 43.4137 TIMING: 1883800 CPU: 5680.97, 0.00300288/step Wall: 5680.97, 0.00300288/step, 2.59933 hours remaining, 208.203125 MB of memory in use. ENERGY: 1883800 782.4060 2054.7932 1901.4205 131.5254 -206138.6074 17779.9477 0.0000 0.0000 34059.6161 -149428.8985 297.4511 -183488.5146 -149331.2421 298.3056 -148.3576 -114.0636 559227.7306 -12.1340 -12.1418 PRESSURE: 1884000 -240.454 45.1777 106.256 45.1775 19.3884 -91.7442 106.256 -91.742 -44.1215 GPRESSURE: 1884000 -175.022 -17.9484 153.817 59.583 36.0001 -141.008 124.245 -113.146 -20.0702 PRESSAVG: 1884000 -41.498 -2.59582 21.9905 -2.59593 23.4125 71.9639 21.9904 71.9638 15.4976 GPRESSAVG: 1884000 -41.234 -4.64844 23.2157 -1.45987 23.9495 70.9416 20.3452 73.866 15.1674 TIMING: 1884000 CPU: 5681.57, 0.0030142/step Wall: 5681.57, 0.0030142/step, 2.60895 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: 1884000 774.9959 2086.8377 1905.1216 113.1473 -206032.0064 17696.3499 0.0000 0.0000 33987.4178 -149468.1362 296.8206 -183455.5540 -149376.7179 298.7886 -88.3958 -53.0308 558254.9536 -0.8626 -0.7057 PRESSURE: 1884200 54.3688 -12.401 -107.92 -12.402 -108.662 -73.4197 -107.921 -73.4202 108.899 GPRESSURE: 1884200 72.2182 8.73784 -53.6694 -105.121 -77.5179 -13.3635 -76.8247 -136.821 150.057 PRESSAVG: 1884200 -64.1477 -35.5443 -13.0641 -35.5442 5.81108 44.1837 -13.0641 44.1837 35.4108 GPRESSAVG: 1884200 -63.3185 -32.8747 -13.9134 -36.4081 4.963 44.8626 -12.3122 44.4829 35.3988 TIMING: 1884200 CPU: 5682.17, 0.00300251/step Wall: 5682.17, 0.00300251/step, 2.59867 hours remaining, 208.203125 MB of memory in use. ENERGY: 1884200 752.7462 2164.4469 1937.4854 110.0030 -206523.4843 17943.4021 0.0000 0.0000 34192.4972 -149422.9034 298.6116 -183615.4007 -149329.2341 298.8281 18.2020 48.2523 557941.2166 -7.6420 -7.6522 LDB: ============= START OF LOAD BALANCING ============== 5685.69 LDB: ============== END OF LOAD BALANCING =============== 5685.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5685.69 LDB: ============= START OF LOAD BALANCING ============== 5685.99 LDB: Largest compute 4800 load 0.030058 is 25.5% of average load 0.118031 LDB: Average compute 0.001726 is 1.5% of average load 0.118031 LDB: TIME 5686 LOAD: AVG 0.118031 MAX 0.209494 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.969 MB LDB: TIME 5686 LOAD: AVG 0.118031 MAX 0.209494 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.184 MB LDB: TIME 5686 LOAD: AVG 0.118031 MAX 0.209494 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.184 MB LDB: ============== END OF LOAD BALANCING =============== 5686 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5686 PRESSURE: 1884400 198.058 3.31041 -13.4643 3.30959 11.9644 4.03122 -13.4656 4.03015 185.197 GPRESSURE: 1884400 202.972 -23.181 -36.3342 40.0591 71.4426 -36.1494 57.2851 -21.9718 205.253 PRESSAVG: 1884400 -5.8319 8.85475 -10.8785 8.85476 -80.888 -24.2378 -10.8785 -24.2378 62.5883 GPRESSAVG: 1884400 -4.98224 7.61046 -11.5021 10.051 -81.5691 -23.4757 -9.8448 -25.9881 62.9473 TIMING: 1884400 CPU: 5682.79, 0.00307084/step Wall: 5682.79, 0.00307084/step, 2.65764 hours remaining, 207.871094 MB of memory in use. ENERGY: 1884400 740.4859 2093.1709 1938.0396 116.4304 -206316.4866 17902.9309 0.0000 0.0000 34172.5878 -149352.8411 298.4377 -183525.4289 -149259.8996 299.3147 131.7398 159.8893 555642.5329 -8.0439 -7.8680 PRESSURE: 1884600 -225.857 223.243 191.46 223.243 -243.294 216.892 191.459 216.893 -468.705 GPRESSURE: 1884600 -220.958 204.999 186.424 216.147 -211.363 187.221 142.108 206.06 -410.384 PRESSAVG: 1884600 36.7246 1.71217 -30.4054 1.71215 12.2407 8.54369 -30.4055 8.54359 -18.0884 GPRESSAVG: 1884600 35.3 2.32229 -29.3524 0.512798 12.3594 7.69762 -32.1161 10.4856 -16.8153 TIMING: 1884600 CPU: 5683.39, 0.00299526/step Wall: 5683.39, 0.00299526/step, 2.59206 hours remaining, 208.074219 MB of memory in use. ENERGY: 1884600 741.3905 2111.8967 1920.6099 105.1356 -205824.1967 17367.5337 0.0000 0.0000 34131.9370 -149445.6932 298.0827 -183577.6303 -149345.4126 298.7099 -312.6186 -280.9016 558966.4897 10.2923 10.2814 PRESSURE: 1884800 81.389 -43.187 80.9006 -43.1867 24.7484 -22.2075 80.9007 -22.2081 53.8027 GPRESSURE: 1884800 165.638 -46.3063 70.4983 -8.68452 54.2751 14.3025 24.2285 -39.141 46.2292 PRESSAVG: 1884800 66.9371 17.1565 66.6195 17.1566 -3.56482 6.27289 66.6194 6.27299 -45.4632 GPRESSAVG: 1884800 66.3679 15.6777 64.8667 18.4936 -2.5848 6.6635 69.0358 5.5689 -45.9418 TIMING: 1884800 CPU: 5683.99, 0.00300925/step Wall: 5683.99, 0.00300925/step, 2.60401 hours remaining, 208.074219 MB of memory in use. ENERGY: 1884800 737.7558 2098.6340 1936.6139 103.3390 -206173.3775 17773.6700 0.0000 0.0000 34297.5997 -149225.7651 299.5295 -183523.3648 -149123.0196 298.1286 53.3134 88.7140 557600.4649 5.9697 5.9471 PRESSURE: 1885000 -348.395 114.198 71.5261 114.199 -77.2741 -9.69746 71.5266 -9.69791 -446.343 GPRESSURE: 1885000 -284.976 110.815 46.654 36.9226 -123.604 36.8054 142.693 -14.7939 -371.951 PRESSAVG: 1885000 24.1647 -13.4952 57.1322 -13.4952 -9.27511 10.9179 57.1322 10.9178 -43.3688 GPRESSAVG: 1885000 24.9496 -11.3763 58.357 -16.8556 -9.61219 9.73677 54.5174 13.7059 -43.3707 TIMING: 1885000 CPU: 5684.59, 0.00303339/step Wall: 5684.59, 0.00303339/step, 2.62472 hours remaining, 208.074219 MB of memory in use. ENERGY: 1885000 765.2164 2097.3593 1942.6136 111.3711 -205545.4160 17273.8711 0.0000 0.0000 34247.8525 -149107.1319 299.0950 -183354.9843 -149015.9590 298.9407 -290.6706 -260.1770 558224.0103 -9.4930 -9.3444 PRESSURE: 1885200 57.6893 16.4319 15.0004 16.4318 -283.529 -2.65075 15.0008 -2.64885 -315.664 GPRESSURE: 1885200 62.7234 36.01 12.7031 18.2787 -286.11 -72.8425 -47.533 -1.24372 -228.417 PRESSAVG: 1885200 42.5989 -11.1319 -40.2554 -11.1319 -13.1022 20.6603 -40.2554 20.6604 -10.5249 GPRESSAVG: 1885200 41.0373 -9.7064 -38.4174 -10.1218 -12.4298 23.1479 -38.0038 18.1152 -9.58982 TIMING: 1885200 CPU: 5685.2, 0.0030204/step Wall: 5685.2, 0.0030204/step, 2.61331 hours remaining, 208.074219 MB of memory in use. ENERGY: 1885200 722.9746 2073.5701 1923.7927 106.5649 -205474.6126 17326.2627 0.0000 0.0000 34096.4244 -149225.0233 297.7726 -183321.4477 -149129.0840 298.9648 -180.5012 -150.6011 558204.7008 6.3239 6.3392 PRESSURE: 1885400 -230.22 11.9778 -15.4813 11.978 97.6162 -144.929 -15.4811 -144.93 170.666 GPRESSURE: 1885400 -163.408 -16.0585 -97.8733 -29.7267 113.457 -78.7377 -11.8709 -152.154 196.276 PRESSAVG: 1885400 26.8902 -9.35371 -6.84722 -9.35372 4.17302 14.3249 -6.84726 14.3248 -11.2118 GPRESSAVG: 1885400 28.8793 -10.8073 -8.48581 -10.487 2.92129 13.167 -8.28304 16.2882 -11.3766 TIMING: 1885400 CPU: 5685.8, 0.0030005/step Wall: 5685.8, 0.0030005/step, 2.59593 hours remaining, 208.074219 MB of memory in use. ENERGY: 1885400 752.0003 2095.6508 1924.3660 121.5044 -206515.6622 17960.7119 0.0000 0.0000 34476.8909 -149184.5379 301.0953 -183661.4288 -149090.4163 300.2867 12.6873 48.7748 557630.6539 6.6171 6.8080 PRESSURE: 1885600 -68.1536 -203.262 -84.1655 -203.262 -25.5983 22.5702 -84.1659 22.5683 132.188 GPRESSURE: 1885600 -15.8881 -156.894 57.9622 -195.534 14.2401 36.0188 -57.4423 39.8726 137.726 PRESSAVG: 1885600 7.76327 -14.961 -40.6026 -14.9609 -17.0253 23.7468 -40.6027 23.747 -5.37177 GPRESSAVG: 1885600 7.13598 -13.9332 -38.92 -14.4352 -16.7088 23.0804 -40.5818 24.4982 -5.77216 TIMING: 1885600 CPU: 5686.4, 0.00302463/step Wall: 5686.4, 0.00302463/step, 2.61664 hours remaining, 208.074219 MB of memory in use. ENERGY: 1885600 734.7201 2078.5962 1918.0213 118.3449 -206164.1269 17812.4416 0.0000 0.0000 34173.6034 -149328.3993 298.4466 -183502.0027 -149243.1431 299.8606 12.8119 45.3592 557915.2790 -4.8779 -5.1150 PRESSURE: 1885800 234.79 17.1267 18.5739 17.1259 173.057 112.602 18.5745 112.601 80.9859 GPRESSURE: 1885800 274.293 -1.01184 103.491 52.3785 139.377 134.809 -88.1985 89.1564 160.72 PRESSAVG: 1885800 53.8526 -46.8741 -13.4676 -46.874 25.5415 -37.8315 -13.4676 -37.8317 -48.0136 GPRESSAVG: 1885800 54.8271 -51.1048 -13.706 -44.3985 25.3856 -38.6709 -15.6347 -40.0424 -48.788 TIMING: 1885800 CPU: 5687.01, 0.00303453/step Wall: 5687.01, 0.00303453/step, 2.62504 hours remaining, 208.074219 MB of memory in use. ENERGY: 1885800 735.7911 2068.4134 1908.7443 114.5979 -206517.8988 18203.0565 0.0000 0.0000 34214.7878 -149272.5077 298.8063 -183487.2955 -149181.2658 298.8443 162.9444 191.4633 557987.9662 10.4602 10.4749 PRESSURE: 1886000 -14.6778 145.301 -47.3605 145.302 -84.4552 -8.29862 -47.3607 -8.29748 -17.6407 GPRESSURE: 1886000 -5.52727 147.403 -2.03235 221.964 -38.788 -7.52208 -93.4304 8.65733 13.5009 PRESSAVG: 1886000 1.64281 -19.7614 -26.8086 -19.7616 7.07016 8.53837 -26.8087 8.53842 -12.193 GPRESSAVG: 1886000 -1.37328 -16.7118 -23.73 -22.697 8.20209 11.2831 -25.4348 7.34061 -10.6654 TIMING: 1886000 CPU: 5687.62, 0.003039/step Wall: 5687.62, 0.003039/step, 2.62874 hours remaining, 208.144531 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: 1886000 728.1642 2043.1069 1918.6912 106.6922 -206301.9384 17916.3539 0.0000 0.0000 34268.9619 -149319.9681 299.2794 -183588.9300 -149223.0744 299.5652 -38.9246 -10.2715 557564.9902 -1.1600 -1.2788 PRESSURE: 1886200 40.6035 45.6164 -79.3226 45.6153 267.218 99.128 -79.3234 99.128 69.9825 GPRESSURE: 1886200 98.703 129.411 -147.298 -15.2754 248.517 117.053 -54.2746 24.5037 120.376 PRESSAVG: 1886200 63.885 -29.0758 -36.074 -29.0758 -28.951 3.09652 -36.0739 3.09647 15.6277 GPRESSAVG: 1886200 65.6798 -30.9484 -41.6817 -28.0228 -29.2126 3.46316 -34.0085 3.61091 14.6055 TIMING: 1886200 CPU: 5688.23, 0.00306736/step Wall: 5688.23, 0.00306736/step, 2.65309 hours remaining, 208.144531 MB of memory in use. ENERGY: 1886200 746.3907 2055.5570 1942.6562 113.8752 -206227.1301 17927.2283 0.0000 0.0000 34130.5977 -149310.8250 298.0710 -183441.4227 -149205.6639 299.2927 125.9347 155.8653 556513.5288 16.8539 17.0242 PRESSURE: 1886400 -78.1634 -32.9695 8.66663 -32.9692 -159.887 191.313 8.66528 191.313 -211.184 GPRESSURE: 1886400 -79.8832 -27.1077 4.76343 -129.358 -85.3619 145.837 -90.8882 177.076 -196.7 PRESSAVG: 1886400 35.1197 -0.247706 -75.3703 -0.247711 -43.4486 -8.78955 -75.3703 -8.78949 -23.9177 GPRESSAVG: 1886400 35.1907 0.256346 -73.9505 1.40947 -44.3629 -8.76525 -76.9813 -8.62337 -23.1276 TIMING: 1886400 CPU: 5688.84, 0.00302865/step Wall: 5688.84, 0.00302865/step, 2.61944 hours remaining, 208.144531 MB of memory in use. ENERGY: 1886400 778.3046 2173.5537 1942.7168 118.4490 -205974.8787 17724.9598 0.0000 0.0000 34115.9449 -149120.9499 297.9430 -183236.8948 -149017.3260 299.5941 -149.7447 -120.6485 557865.7077 -10.7488 -10.7666 PRESSURE: 1886600 -273.8 77.2347 15.7734 77.2359 -84.5883 40.2863 15.7731 40.2866 -105.738 GPRESSURE: 1886600 -238.089 93.4173 -29.0181 89.5609 -28.5653 16.9918 66.4906 45.7446 -93.5382 PRESSAVG: 1886600 -87.1466 -7.74486 -47.3781 -7.74491 26.2779 38.7328 -47.3781 38.7327 3.68156 GPRESSAVG: 1886600 -87.6133 -6.54534 -49.7589 -8.72087 28.4266 37.1621 -45.4371 38.1212 2.73118 TIMING: 1886600 CPU: 5689.45, 0.0030444/step Wall: 5689.45, 0.0030444/step, 2.6329 hours remaining, 208.144531 MB of memory in use. ENERGY: 1886600 753.9243 2082.0600 1938.4294 125.5754 -205899.6220 17577.1186 0.0000 0.0000 34353.5909 -149068.9234 300.0185 -183422.5142 -148979.2827 299.4652 -154.7086 -120.0640 556572.5788 -19.0624 -18.8185 PRESSURE: 1886800 198.9 109.31 12.4764 109.31 -81.293 -64.9434 12.4774 -64.9425 74.9611 GPRESSURE: 1886800 246.913 137.979 22.4033 101.792 -45.1532 -4.99667 77.6867 -92.1978 81.877 PRESSAVG: 1886800 -52.8487 68.3346 -38.5851 68.3345 67.5155 45.023 -38.5852 45.023 48.5425 GPRESSAVG: 1886800 -51.7332 67.3518 -37.6585 70.2654 66.1495 46.6735 -40.1319 45.3431 49.0449 TIMING: 1886800 CPU: 5690.05, 0.00302737/step Wall: 5690.05, 0.00302737/step, 2.618 hours remaining, 208.144531 MB of memory in use. ENERGY: 1886800 726.9321 2095.3123 1934.9362 114.2593 -206089.8293 17801.8557 0.0000 0.0000 34308.0481 -149108.4855 299.6207 -183416.5336 -149009.0981 299.9610 64.1892 94.5456 556011.8137 21.0698 21.1537 PRESSURE: 1887000 41.5353 -23.2613 -25.5332 -23.2626 -77.7204 3.58638 -25.5342 3.58614 -7.62237 GPRESSURE: 1887000 42.6013 11.549 2.2744 -33.7036 -27.9292 19.1093 -50.3457 41.341 40.6849 PRESSAVG: 1887000 -14.8544 42.6393 -4.63111 42.6394 15.6706 -1.01145 -4.6311 -1.01137 -12.2588 GPRESSAVG: 1887000 -15.5886 42.2179 -3.26618 41.6759 16.4936 -1.99073 -5.36654 -1.86152 -12.3024 TIMING: 1887000 CPU: 5690.65, 0.00300797/step Wall: 5690.65, 0.00300797/step, 2.60106 hours remaining, 208.144531 MB of memory in use. ENERGY: 1887000 799.8038 2071.2902 1953.2992 110.0896 -205966.4005 17745.2833 0.0000 0.0000 34014.4737 -149272.1607 297.0569 -183286.6344 -149175.1916 299.3856 -14.6025 18.4523 556675.4237 -3.8142 -3.7991 PRESSURE: 1887200 -325.398 -99.1376 -95.2991 -99.1371 -227.825 -22.9537 -95.3 -22.9535 -201.052 GPRESSURE: 1887200 -253.357 -88.304 -99.8013 -127.248 -284.717 30.3528 -118.324 -58.0166 -125.442 PRESSAVG: 1887200 25.515 31.7454 -44.472 31.7454 -18.0585 34.3921 -44.4721 34.3922 -10.5214 GPRESSAVG: 1887200 27.3604 32.7562 -44.9572 30.8346 -19.62 32.3514 -43.1488 36.7022 -10.286 TIMING: 1887200 CPU: 5691.26, 0.00301585/step Wall: 5691.26, 0.00301585/step, 2.6077 hours remaining, 208.347656 MB of memory in use. ENERGY: 1887200 755.1700 2163.1694 1931.2909 108.2900 -205267.9464 17275.7778 0.0000 0.0000 33884.8246 -149149.4237 295.9246 -183034.2483 -149057.7058 299.6638 -251.4250 -221.1717 558982.7789 -1.0216 -0.8486 PRESSURE: 1887400 -211.718 -15.2504 84.6917 -15.2502 172.768 9.64356 84.6915 9.64418 48.6942 GPRESSURE: 1887400 -212.983 -34.1427 35.6245 77.9169 241.847 -85.2131 98.0953 29.9753 84.0832 PRESSAVG: 1887400 -25.4714 26.8304 -22.3956 26.8303 -17.7083 -5.17945 -22.3956 -5.17937 24.4377 GPRESSAVG: 1887400 -27.6912 25.9079 -23.2207 25.6553 -16.8105 -4.09138 -23.6038 -6.12953 25.49 TIMING: 1887400 CPU: 5691.86, 0.00300557/step Wall: 5691.86, 0.00300557/step, 2.59865 hours remaining, 208.347656 MB of memory in use. ENERGY: 1887400 736.5952 2047.0733 1936.9208 113.2777 -205876.2684 17755.8044 0.0000 0.0000 34295.7344 -148990.8626 299.5132 -183286.5970 -148901.1216 299.8820 3.2481 37.6491 555530.2900 -6.2473 -6.3372 PRESSURE: 1887600 170.35 18.8522 92.7003 18.8522 -2.55995 20.2964 92.7013 20.2951 134.167 GPRESSURE: 1887600 230.599 82.6309 73.7644 -115.104 53.698 93.9807 107.162 19.447 103.31 PRESSAVG: 1887600 42.3186 -24.0695 21.1042 -24.0695 -44.2303 -52.0839 21.1041 -52.0838 -5.85563 GPRESSAVG: 1887600 44.1915 -24.759 22.2103 -23.8451 -44.1317 -52.2826 22.0936 -52.0016 -7.92358 TIMING: 1887600 CPU: 5692.45, 0.00298405/step Wall: 5692.45, 0.00298405/step, 2.57987 hours remaining, 208.347656 MB of memory in use. ENERGY: 1887600 773.2144 2131.2297 1941.5107 113.2155 -205934.1659 17787.6002 0.0000 0.0000 34306.9247 -148880.4707 299.6109 -183187.3954 -148789.3843 300.4437 100.6523 129.2024 555164.1841 -2.5891 -2.6212 PRESSURE: 1887800 14.7768 -8.50254 -77.3359 -8.50313 -58.8448 -119.775 -77.336 -119.776 16.778 GPRESSURE: 1887800 22.5611 -15.6042 -75.0406 -69.8429 30.5148 -85.7545 -96.4895 -65.1761 9.74232 PRESSAVG: 1887800 58.2419 -30.2873 -32.9718 -30.2873 -32.6379 6.58918 -32.9719 6.58904 -45.9023 GPRESSAVG: 1887800 57.7306 -30.3253 -32.8229 -28.8652 -31.8879 8.74914 -32.6097 4.75241 -46.3797 TIMING: 1887800 CPU: 5693.05, 0.00299506/step Wall: 5693.05, 0.00299506/step, 2.58923 hours remaining, 208.347656 MB of memory in use. ENERGY: 1887800 753.4558 2109.4711 1939.4564 122.6792 -206248.5842 17900.3940 0.0000 0.0000 34412.9400 -149010.1877 300.5368 -183423.1277 -148916.9961 300.2602 -9.0967 20.9394 556809.0381 -6.7661 -6.8457 PRESSURE: 1888000 -63.7894 -72.8005 -7.735 -72.8006 251.918 -144.718 -7.73639 -144.717 -26.5646 GPRESSURE: 1888000 33.0895 -79.7026 -20.1215 -77.2054 224.883 -94.0025 102.128 -120.412 12.636 PRESSAVG: 1888000 8.10639 -0.281666 -33.3135 -0.281617 12.4667 -34.7165 -33.3136 -34.7165 8.84565 GPRESSAVG: 1888000 7.10609 -0.0597646 -34.9896 -1.01932 12.1742 -34.4385 -33.897 -34.6986 10.3275 TIMING: 1888000 CPU: 5693.66, 0.0030134/step Wall: 5693.66, 0.0030134/step, 2.60492 hours remaining, 208.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1888000 753.1917 2115.9320 1931.9301 111.8989 -206264.0485 17885.5994 0.0000 0.0000 34487.0871 -148978.4092 301.1843 -183465.4962 -148878.0404 300.0831 53.8548 90.2029 556997.0699 9.8063 9.8693 PRESSURE: 1888200 -230.205 82.8903 -141.641 82.8909 76.6677 43.8251 -141.642 43.8261 -156.493 GPRESSURE: 1888200 -188.524 94.6816 -193.734 136.304 122.908 48.9311 -139.187 -5.20306 -143.107 PRESSAVG: 1888200 53.5466 -23.0348 -6.11857 -23.0348 23.0961 -46.1681 -6.11868 -46.1681 -69.183 GPRESSAVG: 1888200 54.4517 -24.2064 -2.74201 -22.9752 23.5331 -47.2606 -7.86238 -45.4479 -70.5587 TIMING: 1888200 CPU: 5694.26, 0.00303361/step Wall: 5694.26, 0.00303361/step, 2.62222 hours remaining, 208.347656 MB of memory in use. ENERGY: 1888200 710.9500 2114.8555 1944.2680 103.7888 -205924.7577 17603.2591 0.0000 0.0000 34542.7032 -148904.9330 301.6700 -183447.6362 -148813.4908 300.2448 -103.3432 -69.5743 556365.3959 2.4866 2.4754 LDB: ============= START OF LOAD BALANCING ============== 5697.78 LDB: ============== END OF LOAD BALANCING =============== 5697.78 LDB: =============== DONE WITH MIGRATION ================ 5697.78 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 5698.08 LDB: Largest compute 4772 load 0.029393 is 24.9% of average load 0.117998 LDB: Average compute 0.001725 is 1.5% of average load 0.117998 LDB: TIME 5698.09 LOAD: AVG 0.117998 MAX 0.211092 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.812 MB LDB: TIME 5698.09 LOAD: AVG 0.117998 MAX 0.211092 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.016 MB LDB: TIME 5698.09 LOAD: AVG 0.117998 MAX 0.211092 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.016 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5698.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5698.09 PRESSURE: 1888400 166.768 166.428 77.1097 166.428 -21.8549 -75.4235 77.1085 -75.4236 31.9446 GPRESSURE: 1888400 196.076 191.565 206.933 120.486 19.7574 -133.214 156.794 -46.8856 72.9914 PRESSAVG: 1888400 -76.9946 15.0197 -22.5395 15.0197 27.7882 17.5224 -22.5395 17.5224 52.3738 GPRESSAVG: 1888400 -77.4079 17.874 -24.553 13.098 26.2216 15.9769 -19.6503 17.4458 53.7053 TIMING: 1888400 CPU: 5694.88, 0.00306702/step Wall: 5694.88, 0.00306702/step, 2.65093 hours remaining, 208.335938 MB of memory in use. ENERGY: 1888400 713.7078 2032.1757 1898.1601 116.7714 -205841.5263 17875.4749 0.0000 0.0000 34415.4949 -148789.7415 300.5591 -183205.2364 -148686.4422 300.4649 58.9526 96.2750 558688.0649 1.0558 0.8397 PRESSURE: 1888600 -234.778 61.9078 -86.6251 61.9088 -216.396 -139.179 -86.6242 -139.178 -172.379 GPRESSURE: 1888600 -159.381 9.47767 -62.1501 115.059 -208.094 -134.275 -158.055 -90.0756 -157.034 PRESSAVG: 1888600 -99.7704 40.836 31.8428 40.836 39.0635 -28.1355 31.8429 -28.1355 39.9472 GPRESSAVG: 1888600 -99.7398 39.9873 31.1351 41.2151 39.7356 -27.4807 30.938 -28.2785 39.8122 TIMING: 1888600 CPU: 5695.48, 0.00303417/step Wall: 5695.48, 0.00303417/step, 2.62236 hours remaining, 208.335938 MB of memory in use. ENERGY: 1888600 798.4522 2064.8451 1890.1345 108.4695 -205839.2065 17582.5554 0.0000 0.0000 34442.8398 -148951.9099 300.7979 -183394.7497 -148850.0581 300.1251 -207.8510 -174.8364 557923.6709 -6.9199 -6.7307 PRESSURE: 1888800 -335.254 -10.2645 140.186 -10.2653 3.00328 -55.1238 140.186 -55.1232 190.765 GPRESSURE: 1888800 -292.745 46.1427 167.089 -66.1979 41.0113 0.0480135 183.521 -80.4054 214.852 PRESSAVG: 1888800 -71.1818 -57.849 -39.5987 -57.849 53.3647 7.82103 -39.5987 7.82098 -14.6292 GPRESSAVG: 1888800 -70.8983 -58.4765 -39.179 -56.9836 54.1567 9.18396 -40.1597 7.98766 -15.7659 TIMING: 1888800 CPU: 5696.09, 0.00303773/step Wall: 5696.09, 0.00303773/step, 2.62527 hours remaining, 208.335938 MB of memory in use. ENERGY: 1888800 714.2326 2044.7288 1940.2485 115.3282 -205893.3303 17786.5145 0.0000 0.0000 34504.0219 -148788.2558 301.3322 -183292.2777 -148688.8941 300.5300 -47.1617 -12.2939 558062.0133 -10.8154 -10.8358 PRESSURE: 1889000 132.659 93.6172 -154.383 93.6172 -26.931 29.9451 -154.383 29.943 -108.55 GPRESSURE: 1889000 126.116 170.768 -100.802 110.005 -32.4231 53.5351 -164.005 12.679 -4.79868 PRESSAVG: 1889000 -53.3096 -37.8199 17.8391 -37.8198 91.6147 -10.5108 17.839 -10.5109 -42.9644 GPRESSAVG: 1889000 -54.4369 -37.1762 19.667 -41.2944 91.9263 -10.4515 17.907 -9.61582 -42.0906 TIMING: 1889000 CPU: 5696.7, 0.00302931/step Wall: 5696.7, 0.00302931/step, 2.61783 hours remaining, 208.335938 MB of memory in use. ENERGY: 1889000 758.3916 2083.5915 1940.8213 120.0984 -206201.0925 17868.9170 0.0000 0.0000 34389.1025 -149040.1702 300.3286 -183429.2727 -148939.7211 300.6629 -0.9408 29.6314 557295.4363 -1.5531 -1.5338 PRESSURE: 1889200 -136.866 -90.7355 -12.1549 -90.7358 -113.08 -106.957 -12.1556 -106.956 -116.052 GPRESSURE: 1889200 -76.1908 -126.628 -40.3275 -191.775 -86.3078 -130.204 74.6998 -0.865575 -106.102 PRESSAVG: 1889200 52.7047 -41.8613 13.2784 -41.8612 50.1425 -31.3271 13.2784 -31.3271 -60.639 GPRESSAVG: 1889200 55.3691 -41.8934 11.7513 -41.2735 47.8476 -34.0927 13.8126 -31.2882 -61.1642 TIMING: 1889200 CPU: 5697.3, 0.00300665/step Wall: 5697.3, 0.00300665/step, 2.59808 hours remaining, 208.335938 MB of memory in use. ENERGY: 1889200 763.7927 2053.2465 1939.5309 112.4350 -205854.6888 17533.3535 0.0000 0.0000 34171.2690 -149281.0612 298.4262 -183452.3302 -149177.3335 298.9462 -121.9994 -89.5334 556119.7931 14.0694 14.0175 PRESSURE: 1889400 -65.9704 -114.088 53.2781 -114.087 160.142 28.3883 53.2768 28.3872 96.8673 GPRESSURE: 1889400 -61.4774 -99.9886 26.6681 -72.9732 209.67 69.9198 89.4057 25.077 145.653 PRESSAVG: 1889400 -71.6264 -53.7926 46.9019 -53.7926 1.97911 19.0183 46.902 19.0184 30.5204 GPRESSAVG: 1889400 -73.5764 -54.4919 45.3295 -52.7441 3.36222 18.9418 49.2366 20.8914 31.4158 TIMING: 1889400 CPU: 5697.91, 0.00304052/step Wall: 5697.91, 0.00304052/step, 2.62718 hours remaining, 208.335938 MB of memory in use. ENERGY: 1889400 737.9952 2023.4892 1946.6233 104.4684 -206223.1090 17769.2912 0.0000 0.0000 34234.9276 -149406.3140 298.9821 -183641.2416 -149312.2325 298.8908 63.6795 97.9486 556265.8993 -13.0423 -12.9328 PRESSURE: 1889600 -6.89058 -148.728 180.949 -148.728 147.893 -2.61974 180.949 -2.62046 97.6908 GPRESSURE: 1889600 36.3771 -176.989 121.567 -186.057 172.753 -1.39418 157.319 -31.6433 114.184 PRESSAVG: 1889600 -23.9112 2.35757 35.6624 2.35754 46.586 -52.8793 35.6623 -52.8793 0.194423 GPRESSAVG: 1889600 -23.6124 4.19427 37.3125 1.7759 46.6416 -52.8647 33.7786 -52.9334 -0.650759 TIMING: 1889600 CPU: 5698.51, 0.00303594/step Wall: 5698.51, 0.00303594/step, 2.62305 hours remaining, 208.335938 MB of memory in use. ENERGY: 1889600 724.1965 2044.8308 1910.9073 119.2554 -206295.1401 17936.3038 0.0000 0.0000 34089.6699 -149469.9765 297.7136 -183559.6464 -149374.9910 298.3902 79.5644 107.7716 557172.5643 7.6231 7.4595 PRESSURE: 1889800 -9.21577 5.14659 -113.164 5.1464 -214.531 205.975 -113.163 205.974 193.165 GPRESSURE: 1889800 61.6459 41.1077 -84.2763 -11.9025 -193.177 180.453 -158.55 191.954 203.419 PRESSAVG: 1889800 9.89909 -14.9467 5.48721 -14.9467 -17.4333 62.6472 5.48723 62.6472 75.3635 GPRESSAVG: 1889800 10.6798 -17.5249 6.75595 -12.8882 -18.906 65.3881 5.5252 60.1866 76.0961 TIMING: 1889800 CPU: 5699.12, 0.00301151/step Wall: 5699.12, 0.00301151/step, 2.60178 hours remaining, 208.335938 MB of memory in use. ENERGY: 1889800 731.7179 2054.0580 1938.5102 116.6826 -206034.8409 17798.6453 0.0000 0.0000 33855.0890 -149540.1379 295.6649 -183395.2269 -149445.3844 297.9858 -10.1940 23.9624 557930.2026 22.6098 22.6233 PRESSURE: 1890000 -2.59523 104.543 95.5275 104.544 -54.9909 66.883 95.5279 66.883 52.8479 GPRESSURE: 1890000 24.544 55.9314 18.2031 127.271 -2.47845 -1.9909 140.392 101.905 64.208 PRESSAVG: 1890000 -38.7783 2.0993 13.4342 2.09936 -2.63439 97.6433 13.4342 97.6433 39.5162 GPRESSAVG: 1890000 -38.8117 2.81943 12.0316 2.30999 -1.25042 97.0129 13.0931 99.7304 37.9021 TIMING: 1890000 CPU: 5699.72, 0.00300175/step Wall: 5699.72, 0.00300175/step, 2.59318 hours remaining, 208.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1890000 751.4106 2096.7868 1920.1574 115.9238 -206369.0429 17756.6110 0.0000 0.0000 34043.8240 -149684.3293 297.3132 -183728.1533 -149591.1848 297.7187 -1.5794 28.7579 556760.9466 -0.6322 -0.7200 PRESSURE: 1890200 58.9255 -81.7613 -161.98 -81.7605 83.7793 -220.562 -161.981 -220.563 443.481 GPRESSURE: 1890200 73.8432 -49.909 -78.269 -31.0424 146.758 -171.612 -188.65 -275.731 461.174 PRESSAVG: 1890200 2.22894 -64.9725 -28.731 -64.9724 -50.4791 33.9759 -28.7311 33.9757 27.0926 GPRESSAVG: 1890200 1.31463 -63.3521 -29.6237 -65.104 -49.9742 33.0898 -29.1218 32.097 27.8376 TIMING: 1890200 CPU: 5700.32, 0.00300854/step Wall: 5700.32, 0.00300854/step, 2.59888 hours remaining, 208.335938 MB of memory in use. ENERGY: 1890200 743.1423 2044.7623 1878.7753 112.8451 -206718.4002 18028.7054 0.0000 0.0000 34219.6637 -149690.5060 298.8488 -183910.1697 -149597.7928 297.7975 195.3952 227.2584 555477.2640 -7.0525 -6.9406 PRESSURE: 1890400 -183.732 5.24718 -19.2511 5.24592 216.164 140.904 -19.2534 140.902 6.61543 GPRESSURE: 1890400 -87.8301 34.8755 -67.6338 -77.7785 202.062 230.851 -33.2788 53.6126 8.96469 PRESSAVG: 1890400 6.35293 -6.61182 26.2471 -6.6118 -4.84179 12.9328 26.2471 12.9328 3.56292 GPRESSAVG: 1890400 8.05069 -5.7663 25.474 -6.53505 -6.37435 14.598 26.3911 12.5745 3.13073 TIMING: 1890400 CPU: 5700.92, 0.00300868/step Wall: 5700.92, 0.00300868/step, 2.59883 hours remaining, 208.335938 MB of memory in use. ENERGY: 1890400 764.2767 2016.7313 1938.4342 110.3574 -206075.2532 17698.6170 0.0000 0.0000 34064.8201 -149482.0166 297.4965 -183546.8367 -149391.8644 298.5919 13.0158 41.0657 555345.8108 1.6914 1.6024 PRESSURE: 1890600 -104.707 -97.592 7.92465 -97.5925 117.363 -31.2978 7.92508 -31.2965 -80.706 GPRESSURE: 1890600 -43.6644 -16.0449 -17.1932 -110.306 144.21 -47.4005 -22.6613 -18.1383 -69.6185 PRESSAVG: 1890600 -22.5604 0.435109 3.309 0.435137 52.6001 -2.05868 3.30899 -2.05854 3.15128 GPRESSAVG: 1890600 -23.7107 -0.933986 5.77524 -1.08232 52.5632 -4.3891 3.38524 -0.735657 3.70063 TIMING: 1890600 CPU: 5701.53, 0.00303596/step Wall: 5701.53, 0.00303596/step, 2.62223 hours remaining, 208.335938 MB of memory in use. ENERGY: 1890600 748.6631 2031.0371 1921.6835 97.8286 -206247.8582 17962.8474 0.0000 0.0000 34121.9144 -149363.8840 297.9952 -183485.7984 -149270.0962 298.5108 -22.6831 10.3089 558133.2169 11.0637 10.8510 PRESSURE: 1890800 -83.8734 -124.015 -48.5203 -124.014 33.6976 70.7315 -48.5199 70.7311 126.135 GPRESSURE: 1890800 22.6961 -130.627 -65.2498 -129.775 12.8159 0.170887 -26.6213 91.8445 154.227 PRESSAVG: 1890800 -10.3692 -10.8649 -14.6336 -10.8648 28.6266 27.1407 -14.6336 27.1406 33.8603 GPRESSAVG: 1890800 -10.3609 -10.0258 -13.3193 -10.3487 29.4947 28.9037 -16.0989 27.9343 33.0222 TIMING: 1890800 CPU: 5702.13, 0.00301267/step Wall: 5702.13, 0.00301267/step, 2.60194 hours remaining, 208.335938 MB of memory in use. ENERGY: 1890800 706.2479 2075.6860 1884.2992 103.9358 -206409.5605 17927.9755 0.0000 0.0000 34369.5477 -149341.8683 300.1578 -183711.4160 -149247.2695 299.3818 25.3198 63.2462 557857.8566 17.3726 17.3853 PRESSURE: 1891000 -87.957 35.8938 -199.875 35.8932 26.8009 -166.88 -199.875 -166.879 137.302 GPRESSURE: 1891000 -84.9183 80.4823 -122.994 -4.64562 126.139 -167.927 -214.969 -155.185 124.691 PRESSAVG: 1891000 -38.5372 20.2918 15.6226 20.2918 8.05004 -24.4901 15.6227 -24.4902 60.5365 GPRESSAVG: 1891000 -38.1843 18.6412 13.8587 20.7683 7.97255 -24.6242 16.3421 -26.5697 60.4433 TIMING: 1891000 CPU: 5702.74, 0.00303464/step Wall: 5702.74, 0.00303464/step, 2.62075 hours remaining, 208.335938 MB of memory in use. ENERGY: 1891000 725.3523 2074.6705 1901.3861 119.3452 -206485.6296 17964.6465 0.0000 0.0000 34372.2879 -149327.9410 300.1817 -183700.2289 -149230.4044 298.6486 25.3820 55.3036 558540.1068 10.0165 10.0772 PRESSURE: 1891200 -79.2849 92.5092 -16.1077 92.5104 18.0542 -20.3635 -16.1078 -20.3634 -101.614 GPRESSURE: 1891200 -60.3413 14.0825 -57.8139 111.497 90.0661 -11.5577 -9.11672 -5.17026 -89.1897 PRESSAVG: 1891200 -34.1444 18.9146 20.7188 18.9146 16.3441 -6.17113 20.7187 -6.17124 47.6806 GPRESSAVG: 1891200 -35.1048 18.2829 21.4294 18.2756 15.5529 -5.07548 20.2145 -5.32965 49.3981 TIMING: 1891200 CPU: 5703.34, 0.00303585/step Wall: 5703.34, 0.00303585/step, 2.62163 hours remaining, 208.335938 MB of memory in use. ENERGY: 1891200 736.7188 2065.4371 1924.1370 123.5895 -206296.6451 17814.0044 0.0000 0.0000 34357.2190 -149275.5392 300.0501 -183632.7582 -149184.1285 299.1608 -54.2815 -19.8216 557338.8336 9.9601 9.9488 PRESSURE: 1891400 114.746 -20.0326 -201.553 -20.0331 148.702 -35.3948 -201.552 -35.3935 342.506 GPRESSURE: 1891400 218.917 66.1149 -142.883 -75.8086 198.349 -61.4675 -280.195 3.52444 288.508 PRESSAVG: 1891400 16.9547 -9.94639 40.6911 -9.94639 -4.7229 -50.7197 40.6911 -50.7198 -40.0005 GPRESSAVG: 1891400 18.2984 -8.68751 40.4111 -9.73357 -4.77264 -51.7556 41.542 -50.2945 -40.7386 TIMING: 1891400 CPU: 5703.94, 0.0030099/step Wall: 5703.94, 0.0030099/step, 2.59905 hours remaining, 208.335938 MB of memory in use. ENERGY: 1891400 708.7643 2084.3574 1932.9285 92.6615 -206230.5904 18001.9779 0.0000 0.0000 34173.3572 -149236.5435 298.4444 -183409.9008 -149148.5046 299.8604 201.9845 235.2582 558191.9809 -9.2562 -9.0710 PRESSURE: 1891600 79.1082 24.4336 -42.7519 24.4326 -137.944 -69.9298 -42.7515 -69.9303 62.8685 GPRESSURE: 1891600 69.5542 126.807 -26.2378 6.41991 -55.9061 -26.8797 -98.7348 -49.3695 79.879 PRESSAVG: 1891600 15.0013 22.3821 -4.0945 22.3821 -3.67737 -14.4731 -4.0944 -14.4732 42.0416 GPRESSAVG: 1891600 14.8706 21.5193 -3.56988 22.7862 -3.06092 -12.6852 -6.22367 -15.6043 41.4101 TIMING: 1891600 CPU: 5704.55, 0.00300763/step Wall: 5704.55, 0.00300763/step, 2.59692 hours remaining, 208.335938 MB of memory in use. ENERGY: 1891600 736.1438 2081.5542 1914.5060 114.0463 -206386.4708 17852.3671 0.0000 0.0000 34392.8542 -149294.9992 300.3614 -183687.8534 -149202.9253 299.0111 1.3443 31.1757 556796.6588 17.7885 17.7399 PRESSURE: 1891800 208.294 184.677 5.73435 184.678 -145.334 -40.3346 5.73477 -40.334 55.6627 GPRESSURE: 1891800 276.288 36.8953 -1.2246 235.585 -92.0057 35.0858 5.07134 -33.5224 38.8435 PRESSAVG: 1891800 24.0269 2.6985 -7.67092 2.69846 35.8692 -26.6972 -7.67102 -26.6972 -35.0314 GPRESSAVG: 1891800 24.239 1.39559 -7.72655 1.73428 33.9116 -28.9086 -6.07694 -26.1464 -33.1121 TIMING: 1891800 CPU: 5705.15, 0.00300217/step Wall: 5705.15, 0.00300217/step, 2.59204 hours remaining, 208.335938 MB of memory in use. ENERGY: 1891800 735.7983 2074.3410 1911.4835 97.8604 -206297.2358 17746.3409 0.0000 0.0000 34189.3142 -149542.0975 298.5838 -183731.4118 -149444.8847 298.8683 39.5408 74.3752 557220.4152 8.2882 8.3462 PRESSURE: 1892000 242.29 122.548 -34.5083 122.548 170.324 94.8871 -34.5088 94.8854 -23.8551 GPRESSURE: 1892000 214.225 218.955 -90.5959 -6.56632 190.333 49.8156 -98.7625 135.966 84.561 PRESSAVG: 1892000 10.8492 99.0238 3.34383 99.0237 16.8042 36.2046 3.34379 36.2047 -14.2443 GPRESSAVG: 1892000 10.7817 99.2572 2.41451 99.7033 18.3357 38.5675 2.10205 36.0477 -15.4781 TIMING: 1892000 CPU: 5705.75, 0.00299248/step Wall: 5705.75, 0.00299248/step, 2.58351 hours remaining, 208.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1892000 733.6370 2105.3458 1913.4619 121.4234 -206501.2186 18017.6237 0.0000 0.0000 34147.3685 -149462.3583 298.2175 -183609.7268 -149356.5848 298.9491 129.5864 163.0395 557274.7058 4.4697 4.5464 PRESSURE: 1892200 85.2535 46.5488 41.9496 46.5475 62.7399 39.563 41.9499 39.5612 92.5985 GPRESSURE: 1892200 103.591 74.8587 40.9528 45.9824 152.218 -21.2461 54.7341 48.4294 73.4224 PRESSAVG: 1892200 -49.8638 14.336 -39.1635 14.336 -9.22654 38.9032 -39.1635 38.9032 51.7187 GPRESSAVG: 1892200 -49.9609 17.2502 -38.4927 13.7998 -8.92003 36.9233 -36.9723 41.3105 51.1705 TIMING: 1892200 CPU: 5706.35, 0.00301067/step Wall: 5706.35, 0.00301067/step, 2.59904 hours remaining, 208.335938 MB of memory in use. ENERGY: 1892200 728.4489 2096.4136 1911.4480 107.6255 -206493.2356 17967.5563 0.0000 0.0000 34280.1640 -149401.5793 299.3772 -183681.7433 -149299.0715 298.5312 80.1973 109.7436 557434.2165 -2.4572 -2.5701 LDB: ============= START OF LOAD BALANCING ============== 5709.86 LDB: ============== END OF LOAD BALANCING =============== 5709.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5709.87 LDB: ============= START OF LOAD BALANCING ============== 5710.16 LDB: Largest compute 4800 load 0.028798 is 24.4% of average load 0.118141 LDB: Average compute 0.001732 is 1.5% of average load 0.118141 LDB: TIME 5710.17 LOAD: AVG 0.118141 MAX 0.210692 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 5710.17 LOAD: AVG 0.118141 MAX 0.210692 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.277 MB LDB: TIME 5710.17 LOAD: AVG 0.118141 MAX 0.210692 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.277 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5710.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5710.17 PRESSURE: 1892400 80.434 30.2494 -40.1011 30.2488 -16.8039 64.253 -40.1015 64.2531 59.6254 GPRESSURE: 1892400 83.6238 83.6434 -120.786 22.12 61.8637 54.9153 -1.06103 33.6332 69.6305 PRESSAVG: 1892400 -18.4246 -1.78364 -5.93257 -1.78374 38.8682 43.479 -5.93255 43.479 11.03 GPRESSAVG: 1892400 -19.3391 -3.38496 -7.11234 -0.88086 38.6374 41.0208 -5.16143 41.7775 11.3871 TIMING: 1892400 CPU: 5706.96, 0.00304569/step Wall: 5706.96, 0.00304568/step, 2.6291 hours remaining, 207.371094 MB of memory in use. ENERGY: 1892400 721.0552 2061.3379 1921.6844 95.8884 -206119.8355 17679.4244 0.0000 0.0000 34234.5214 -149405.9238 298.9786 -183640.4452 -149314.9437 298.8479 41.0851 71.7060 555640.1434 10.4912 10.2285 PRESSURE: 1892600 -408.277 -11.8793 -35.6591 -11.8774 114.346 -69.9934 -35.6594 -69.9947 13.8392 GPRESSURE: 1892600 -352.452 94.2253 -93.0612 -139.504 149.383 -13.1856 -58.482 -94.791 17.862 PRESSAVG: 1892600 -68.5789 3.17643 -58.188 3.17641 77.1265 -29.8582 -58.1881 -29.8583 6.41883 GPRESSAVG: 1892600 -68.8228 3.63564 -56.8233 2.12758 77.034 -25.7659 -59.9595 -32.8349 6.35147 TIMING: 1892600 CPU: 5707.56, 0.00301138/step Wall: 5707.56, 0.00301138/step, 2.59932 hours remaining, 207.628906 MB of memory in use. ENERGY: 1892600 714.5349 2067.8016 1944.3215 107.1537 -206117.6006 17610.3941 0.0000 0.0000 34224.5803 -149448.8145 298.8918 -183673.3948 -149348.0306 298.9207 -93.3641 -61.7357 557441.2226 4.9888 4.8542 PRESSURE: 1892800 17.8858 102.131 28.3111 102.131 41.7257 -82.8767 28.3119 -82.8784 -164.3 GPRESSURE: 1892800 75.8387 53.9341 8.53106 107.966 70.2558 -189.086 -4.52995 -105.587 -155.253 PRESSAVG: 1892800 21.7076 -19.0849 -11.7632 -19.0849 83.4003 -25.6146 -11.7632 -25.6146 -16.9718 GPRESSAVG: 1892800 21.6815 -20.8986 -12.7956 -17.1609 83.6376 -25.6636 -10.7043 -22.8213 -17.3035 TIMING: 1892800 CPU: 5708.16, 0.00300981/step Wall: 5708.16, 0.00300981/step, 2.5978 hours remaining, 207.628906 MB of memory in use. ENERGY: 1892800 733.8972 2085.5029 1928.1817 104.9052 -206188.4804 17714.9978 0.0000 0.0000 34258.3993 -149362.5962 299.1871 -183620.9955 -149265.3300 299.2706 -34.8963 -3.0527 557416.8285 29.3787 29.3385 PRESSURE: 1893000 -84.8652 -110.728 12.1932 -110.729 -208.451 -20.1684 12.1946 -20.1681 -41.8629 GPRESSURE: 1893000 -42.72 -157.151 -6.70667 -114.363 -175.442 -19.8805 -52.5843 -31.288 -7.17203 PRESSAVG: 1893000 7.54851 36.3989 -22.625 36.3989 27.6082 -14.0029 -22.6249 -14.0029 -30.4257 GPRESSAVG: 1893000 7.62881 38.4323 -22.1907 37.0121 26.646 -15.83 -21.4863 -14.6913 -29.3804 TIMING: 1893000 CPU: 5708.76, 0.00299767/step Wall: 5708.76, 0.00299767/step, 2.58716 hours remaining, 207.628906 MB of memory in use. ENERGY: 1893000 776.0484 2034.4771 1909.8797 116.3423 -206306.4700 17753.8082 0.0000 0.0000 34328.5662 -149387.3481 299.7999 -183715.9144 -149297.0117 299.2443 -111.7265 -75.1113 556958.7093 1.5770 1.6315 PRESSURE: 1893200 87.0971 -155.106 -52.5666 -155.106 -43.38 -18.8048 -52.5667 -18.8042 247.093 GPRESSURE: 1893200 122.369 -159.098 -112.591 -109.187 24.9093 -28.7897 -63.8154 12.8078 226.996 PRESSAVG: 1893200 27.4242 -2.85394 45.3286 -2.8539 -5.84531 -83.6315 45.3286 -83.6316 -26.2965 GPRESSAVG: 1893200 29.1695 -3.5929 45.8159 -3.63643 -5.7737 -81.3385 43.3673 -84.2352 -28.0843 TIMING: 1893200 CPU: 5709.36, 0.00299692/step Wall: 5709.36, 0.00299692/step, 2.58634 hours remaining, 207.738281 MB of memory in use. ENERGY: 1893200 719.7514 2094.4018 1920.6859 112.1821 -206576.0333 17945.5513 0.0000 0.0000 34413.8494 -149369.6114 300.5447 -183783.4608 -149272.7266 299.1559 96.9367 124.7584 556906.1415 -1.5726 -1.5628 PRESSURE: 1893400 120.366 34.194 57.8051 34.1935 -349.529 31.8589 57.8047 31.8593 8.2949 GPRESSURE: 1893400 161.61 51.9473 -75.5852 9.77984 -259.736 63.0445 75.5936 108.881 -11.6988 PRESSAVG: 1893400 26.484 16.5328 7.77027 16.5328 6.65487 38.4216 7.77025 38.4215 5.50515 GPRESSAVG: 1893400 24.3097 16.9584 7.95361 18.1141 7.44097 37.5588 7.89512 38.8929 7.13242 TIMING: 1893400 CPU: 5709.96, 0.00302153/step Wall: 5709.96, 0.00302153/step, 2.60741 hours remaining, 207.738281 MB of memory in use. ENERGY: 1893400 755.9288 2075.3218 1929.6580 118.0600 -206363.0920 17759.2203 0.0000 0.0000 34292.0459 -149432.8572 299.4810 -183724.9031 -149342.7045 299.0602 -73.6225 -36.6084 556916.4879 12.8813 12.9610 PRESSURE: 1893600 -123.464 20.7352 -15.9016 20.7357 23.2983 -109.57 -15.9021 -109.57 99.8952 GPRESSURE: 1893600 -135.387 -3.66791 52.5441 2.54317 97.9882 -122.299 -4.09551 -213.519 131.833 PRESSAVG: 1893600 23.4034 3.51052 -4.82826 3.51049 -7.95218 -87.7811 -4.82835 -87.7811 15.1407 GPRESSAVG: 1893600 23.6842 4.75742 -5.54618 2.80546 -7.71002 -88.0252 -3.01127 -88.2851 14.4601 TIMING: 1893600 CPU: 5710.57, 0.00302992/step Wall: 5710.57, 0.00302992/step, 2.61448 hours remaining, 207.738281 MB of memory in use. ENERGY: 1893600 732.5999 2094.1895 1950.7727 121.1955 -206552.3420 17942.4903 0.0000 0.0000 34355.7258 -149355.3683 300.0371 -183711.0941 -149261.1218 299.0556 -0.0902 31.4779 556929.4449 10.1973 10.1448 PRESSURE: 1893800 89.6585 206.885 -67.6487 206.884 -87.902 -36.1948 -67.6474 -36.1952 108.11 GPRESSURE: 1893800 134.599 208.538 -97.3935 280.184 -61.1112 -9.55325 -55.9904 17.8827 122.053 PRESSAVG: 1893800 -12.9745 77.6229 -2.65669 77.6229 -14.5041 -33.9901 -2.65661 -33.9902 43.1938 GPRESSAVG: 1893800 -11.5767 76.2554 -1.32101 76.0809 -15.2518 -32.4983 -4.07245 -33.6317 42.9219 TIMING: 1893800 CPU: 5711.17, 0.00300939/step Wall: 5711.17, 0.00300939/step, 2.5966 hours remaining, 207.738281 MB of memory in use. ENERGY: 1893800 744.5686 2145.2424 1930.7375 123.6170 -206445.9393 17842.1615 0.0000 0.0000 34243.1657 -149416.4467 299.0541 -183659.6124 -149324.6123 298.9642 36.6223 65.1800 556809.5583 5.2384 5.3645 PRESSURE: 1894000 64.857 45.9576 -123.093 45.9585 144.372 159.773 -123.093 159.773 -24.8306 GPRESSURE: 1894000 89.4501 29.0428 -114.944 43.7569 186.215 82.1731 -131.259 209.351 3.99961 PRESSAVG: 1894000 64.3079 41.8214 7.42125 41.8213 -32.8187 -9.78005 7.4212 -9.78008 32.0741 GPRESSAVG: 1894000 62.3765 41.9412 6.21998 42.3881 -32.0783 -10.4547 5.45964 -10.5911 32.9923 TIMING: 1894000 CPU: 5711.78, 0.0030417/step Wall: 5711.78, 0.0030417/step, 2.62431 hours remaining, 207.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1894000 729.5319 2085.1433 1930.8920 102.5721 -206545.8206 17928.3637 0.0000 0.0000 34346.3157 -149423.0020 299.9549 -183769.3177 -149330.1900 298.7362 61.4663 93.2216 557090.6080 21.1878 21.0968 PRESSURE: 1894200 102.818 -130.114 59.62 -130.113 -137.837 154.223 59.6197 154.223 180.935 GPRESSURE: 1894200 93.4522 -78.948 -79.1142 -150.959 -88.618 169.261 123.154 163.756 236.628 PRESSAVG: 1894200 26.4581 -4.84071 -24.0452 -4.84069 23.4794 -9.89745 -24.0452 -9.89747 -10.052 GPRESSAVG: 1894200 26.5325 -2.57934 -22.2945 -7.77289 23.4979 -7.34501 -22.8409 -10.7664 -9.73549 TIMING: 1894200 CPU: 5712.38, 0.00301629/step Wall: 5712.38, 0.00301629/step, 2.60222 hours remaining, 207.738281 MB of memory in use. ENERGY: 1894200 733.2669 2130.3922 1928.8840 116.4671 -206119.0273 17832.9664 0.0000 0.0000 34173.7418 -149203.3089 298.4478 -183377.0507 -149113.1908 298.6330 48.6385 80.4875 558046.4123 13.2951 13.4316 PRESSURE: 1894400 -281.95 -1.46193 -54.184 -1.46177 -50.1162 1.44781 -54.1851 1.44652 3.46423 GPRESSURE: 1894400 -228.531 -87.6813 -20.647 -36.0283 -38.7436 -26.6825 43.3814 43.6195 35.1233 PRESSAVG: 1894400 -67.3446 51.2453 52.8247 51.2453 78.8765 70.25 52.8247 70.2499 -4.9107 GPRESSAVG: 1894400 -67.1752 50.4962 52.3101 51.2373 78.7146 68.8372 54.5707 71.7341 -4.6194 TIMING: 1894400 CPU: 5712.99, 0.00302446/step Wall: 5712.99, 0.00302446/step, 2.6091 hours remaining, 207.738281 MB of memory in use. ENERGY: 1894400 690.3576 2052.9925 1924.8358 114.5664 -205680.5699 17498.1957 0.0000 0.0000 34075.5526 -149324.0693 297.5903 -183399.6219 -149224.9113 298.6989 -109.5341 -77.3838 558559.7045 2.2071 2.3067 PRESSURE: 1894600 -106.052 131.212 -73.1736 131.212 50.199 -1.40913 -73.1745 -1.40856 17.3191 GPRESSURE: 1894600 -77.6299 157.445 -10.158 154.717 35.7615 15.8675 -58.4653 54.921 96.9604 PRESSAVG: 1894600 -64.7187 15.503 10.2085 15.5029 -3.51392 61.3803 10.2084 61.3804 88.761 GPRESSAVG: 1894600 -63.7664 12.6452 10.7186 18.6647 -4.5154 59.8221 8.4656 59.2223 88.7554 TIMING: 1894600 CPU: 5713.59, 0.00301052/step Wall: 5713.59, 0.00301052/step, 2.59691 hours remaining, 207.738281 MB of memory in use. ENERGY: 1894600 723.2297 2109.3419 1929.2394 111.9094 -206092.3726 17695.7581 0.0000 0.0000 34326.6339 -149196.2602 299.7830 -183522.8941 -149095.8157 299.2053 -12.8447 18.3640 557523.1224 6.8428 6.8245 PRESSURE: 1894800 380.941 92.1714 -136.725 92.1705 22.2999 149.323 -136.724 149.321 186.481 GPRESSURE: 1894800 377.81 119.233 -81.8102 6.95483 60.3605 108.855 -211.026 119.944 249.353 PRESSAVG: 1894800 -60.1602 21.1953 3.18725 21.1953 -8.22369 44.3147 3.18717 44.3147 64.9575 GPRESSAVG: 1894800 -59.9011 21.1953 1.21356 19.814 -7.57789 46.4696 3.55327 45.8265 64.2407 TIMING: 1894800 CPU: 5714.19, 0.00301376/step Wall: 5714.19, 0.00301376/step, 2.59953 hours remaining, 207.738281 MB of memory in use. ENERGY: 1894800 696.8878 2126.3975 1909.6809 115.0697 -206260.9640 18051.9357 0.0000 0.0000 34031.5638 -149329.4288 297.2061 -183360.9926 -149229.1931 298.9598 196.5738 229.1742 557470.0010 -1.1421 -1.0794 PRESSURE: 1895000 -296.136 122.004 55.6087 122.005 -184.893 -24.0403 55.6097 -24.0403 -217.183 GPRESSURE: 1895000 -305.35 78.263 15.7197 97.7477 -145.027 -84.732 27.7401 54.4063 -153.613 PRESSAVG: 1895000 -20.7686 -12.3394 46.3784 -12.3394 -47.0649 27.6367 46.3784 27.6367 52.3898 GPRESSAVG: 1895000 -21.264 -10.9887 46.9274 -13.6988 -47.9185 25.5522 47.175 28.5749 53.1928 TIMING: 1895000 CPU: 5714.8, 0.00305342/step Wall: 5714.8, 0.00305342/step, 2.63358 hours remaining, 207.738281 MB of memory in use. ENERGY: 1895000 704.3653 2068.7052 1929.6164 121.8825 -205595.5046 17286.4901 0.0000 0.0000 34180.3534 -149304.0917 298.5055 -183484.4451 -149207.0727 298.7766 -232.7373 -201.3299 558162.1448 -5.1479 -5.3299 PRESSURE: 1895200 36.9242 -57.1555 2.1336 -57.1566 79.1556 38.2115 2.13439 38.2122 180.955 GPRESSURE: 1895200 23.2696 -90.6766 -26.4646 48.8438 160.016 21.071 -53.3253 -17.1846 208.098 PRESSAVG: 1895200 -0.429522 -17.1637 -23.9197 -17.1636 -33.9639 6.40997 -23.9196 6.41005 29.3808 GPRESSAVG: 1895200 0.406783 -17.9678 -25.0186 -14.6996 -33.8566 8.36504 -22.9153 6.4336 28.2728 TIMING: 1895200 CPU: 5715.41, 0.00302402/step Wall: 5715.41, 0.00302402/step, 2.60805 hours remaining, 207.738281 MB of memory in use. ENERGY: 1895200 750.8173 2069.9424 1922.9430 121.7567 -206484.5771 18003.6655 0.0000 0.0000 34289.9799 -149325.4725 299.4629 -183615.4524 -149237.3170 298.6652 99.0115 130.4611 556626.4897 -1.6709 -1.7257 PRESSURE: 1895400 -202.197 -92.3399 -174.989 -92.3392 -127.19 16.5673 -174.989 16.5677 -189.888 GPRESSURE: 1895400 -226.775 -106.037 -223.293 -92.409 -90.2277 -58.5263 -131.954 125.965 -108.277 PRESSAVG: 1895400 4.3776 -37.4856 -62.1258 -37.4856 -16.8133 34.682 -62.1258 34.6819 -31.7161 GPRESSAVG: 1895400 4.15713 -38.2401 -59.6743 -37.7312 -16.6674 34.3527 -64.1543 33.8946 -32.058 TIMING: 1895400 CPU: 5716.01, 0.00300087/step Wall: 5716.01, 0.00300087/step, 2.58791 hours remaining, 207.738281 MB of memory in use. ENERGY: 1895400 754.0649 2095.3651 1948.8540 109.5997 -206117.7531 17695.1540 0.0000 0.0000 34494.1038 -149020.6115 301.2456 -183514.7153 -148930.6862 299.8437 -173.0916 -141.7599 558540.4068 -14.7173 -14.8561 PRESSURE: 1895600 -180.952 107.786 39.3368 107.786 -135.751 -86.9668 39.3382 -86.9674 13.5197 GPRESSURE: 1895600 -129.932 90.5944 -8.27551 128.694 -96.9457 -100.803 110.939 -101.096 25.4804 PRESSAVG: 1895600 -47.8782 21.9955 -14.9433 21.9954 20.2833 -10.8041 -14.9433 -10.804 -1.81593 GPRESSAVG: 1895600 -48.0231 23.9469 -15.1265 19.4053 19.1905 -11.2231 -14.1738 -9.75275 -0.560326 TIMING: 1895600 CPU: 5716.62, 0.00304123/step Wall: 5716.62, 0.00304123/step, 2.62255 hours remaining, 207.738281 MB of memory in use. ENERGY: 1895600 775.1258 2079.9414 1931.2280 102.4591 -206300.7963 17855.1714 0.0000 0.0000 34228.0149 -149328.8557 298.9218 -183556.8706 -149232.5168 299.5698 -101.0610 -67.1324 558297.3832 -9.8036 -9.7977 PRESSURE: 1895800 -198.376 -27.5001 80.3065 -27.501 -74.0875 -90.5132 80.3087 -90.5139 184.718 GPRESSURE: 1895800 -186.75 -66.6362 23.9712 -1.25668 -83.4589 -66.0942 137.222 -145.327 276.084 PRESSAVG: 1895800 -51.5733 -5.94629 -3.30465 -5.94632 13.1725 -49.3492 -3.30461 -49.3492 28.5795 GPRESSAVG: 1895800 -52.1032 -7.53335 -3.40737 -3.58891 14.8997 -49.9797 -1.75046 -49.1559 27.4034 TIMING: 1895800 CPU: 5717.23, 0.0030472/step Wall: 5717.23, 0.0030472/step, 2.62754 hours remaining, 207.738281 MB of memory in use. ENERGY: 1895800 731.2320 2114.1476 1936.2687 113.2976 -206187.1801 17731.9580 0.0000 0.0000 34270.7184 -149289.5578 299.2947 -183560.2762 -149191.9808 299.3099 -29.2484 1.9582 557731.8688 -3.2738 -3.2667 PRESSURE: 1896000 -239.606 46.5197 190.768 46.5209 168.075 -114.446 190.768 -114.445 -165.837 GPRESSURE: 1896000 -176.6 151.729 237.308 -92.9916 174.02 -151.356 144.347 -54.6065 -123.956 PRESSAVG: 1896000 67.4449 52.2165 53.9147 52.2165 -55.513 -26.6937 53.9148 -26.6936 -1.36419 GPRESSAVG: 1896000 67.2688 53.3201 55.6962 51.0572 -56.4679 -24.4823 52.1552 -28.0025 -0.0649209 TIMING: 1896000 CPU: 5717.83, 0.00303552/step Wall: 5717.83, 0.00303552/step, 2.61729 hours remaining, 207.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1896000 753.4248 2087.8127 1915.8093 112.5861 -206062.9398 17748.2655 0.0000 0.0000 34348.2616 -149096.7797 299.9719 -183445.0413 -148998.1507 299.9804 -79.1226 -42.1787 557911.3208 3.5226 3.5787 PRESSURE: 1896200 -36.3189 -15.85 -62.4831 -15.8501 -24.5891 -52.2341 -62.4833 -52.2349 34.8939 GPRESSURE: 1896200 -24.4171 22.6873 -37.6849 62.3569 12.5074 -91.5672 -104.838 -12.7244 89.6089 PRESSAVG: 1896200 -13.603 37.8916 41.4599 37.8916 -65.0445 -28.0809 41.4598 -28.0808 71.3495 GPRESSAVG: 1896200 -13.0144 38.0757 39.2913 39.6616 -64.2997 -29.2097 43.0496 -26.4371 69.6944 TIMING: 1896200 CPU: 5718.44, 0.00301202/step Wall: 5718.44, 0.00301202/step, 2.59686 hours remaining, 207.738281 MB of memory in use. ENERGY: 1896200 738.7126 2137.0817 1971.4809 109.5066 -206112.0765 17627.6400 0.0000 0.0000 34295.6466 -149232.0081 299.5124 -183527.6547 -149137.7202 299.5544 -8.6713 25.8997 557029.9753 -2.4327 -2.5399 LDB: ============= START OF LOAD BALANCING ============== 5721.95 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5721.95 LDB: =============== DONE WITH MIGRATION ================ 5721.96 LDB: ============= START OF LOAD BALANCING ============== 5722.26 LDB: Largest compute 4772 load 0.029001 is 24.6% of average load 0.118086 LDB: Average compute 0.001731 is 1.5% of average load 0.118086 LDB: TIME 5722.26 LOAD: AVG 0.118086 MAX 0.212195 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.305 MB LDB: TIME 5722.26 LOAD: AVG 0.118086 MAX 0.212195 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.508 MB LDB: TIME 5722.26 LOAD: AVG 0.118086 MAX 0.212195 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.508 MB LDB: ============== END OF LOAD BALANCING =============== 5722.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5722.27 PRESSURE: 1896400 -86.7623 106.947 162.629 106.947 -63.4916 -5.9714 162.628 -5.97155 21.0143 GPRESSURE: 1896400 -55.2779 130.891 190.627 128.742 -22.0657 18.5055 196.904 -57.8081 34.3624 PRESSAVG: 1896400 -61.0597 52.0582 42.3907 52.0582 -28.5073 -31.3141 42.3907 -31.314 41.2298 GPRESSAVG: 1896400 -60.1305 50.8363 42.2568 52.3877 -29.5826 -32.7514 42.2433 -33.2834 41.3511 TIMING: 1896400 CPU: 5719.05, 0.00307149/step Wall: 5719.05, 0.00307149/step, 2.64797 hours remaining, 209.558594 MB of memory in use. ENERGY: 1896400 749.1820 2091.0012 1933.8995 109.5127 -206113.6668 17754.4200 0.0000 0.0000 34181.3019 -149294.3495 298.5138 -183475.6514 -149204.3891 299.4978 -43.0799 -14.3271 558752.5787 -16.1124 -16.1207 PRESSURE: 1896600 -356.071 14.0827 82.8894 14.0833 -433.759 91.1956 82.8898 91.1967 -155.639 GPRESSURE: 1896600 -351.724 -48.8345 66.3511 130.072 -338.642 35.449 91.1384 96.0893 -154.231 PRESSAVG: 1896600 62.9173 -2.4605 -6.20507 -2.46045 -61.1878 11.5231 -6.205 11.5231 21.7568 GPRESSAVG: 1896600 62.642 -3.07631 -7.53929 -3.87262 -60.4378 10.8391 -5.01377 13.3747 21.4493 TIMING: 1896600 CPU: 5719.65, 0.00300354/step Wall: 5719.65, 0.00300354/step, 2.58922 hours remaining, 209.558594 MB of memory in use. ENERGY: 1896600 780.6841 2097.7878 1922.5724 101.8796 -205734.2717 17371.5132 0.0000 0.0000 34117.7437 -149342.0909 297.9587 -183459.8346 -149247.7634 299.6172 -315.1561 -281.5323 556985.2531 7.8288 7.8845 PRESSURE: 1896800 82.3707 -9.43006 -4.88051 -9.43063 -27.611 144.619 -4.87991 144.62 -160.66 GPRESSURE: 1896800 96.7097 -51.228 -25.9134 108.252 14.1249 125.512 -40.8572 110.103 -120.251 PRESSAVG: 1896800 -16.3619 16.2285 -19.208 16.2285 -13.8194 35.7871 -19.2079 35.7871 45.639 GPRESSAVG: 1896800 -17.62 17.822 -16.5029 16.2693 -13.9925 34.6339 -20.564 36.5273 46.7259 TIMING: 1896800 CPU: 5720.26, 0.00302944/step Wall: 5720.26, 0.00302944/step, 2.61137 hours remaining, 209.558594 MB of memory in use. ENERGY: 1896800 768.5568 2037.4088 1918.5817 124.4361 -206449.5818 17818.3521 0.0000 0.0000 34279.4908 -149502.7556 299.3713 -183782.2464 -149409.2732 299.0552 -35.3002 -3.1389 555774.8311 5.1525 5.0378 PRESSURE: 1897000 -84.7736 128.915 65.4133 128.915 205.756 67.0599 65.4143 67.0599 -171.895 GPRESSURE: 1897000 -57.5208 28.918 32.6983 90.5714 225.071 50.9233 139.062 116.218 -117.342 PRESSAVG: 1897000 -40.0489 -13.9187 19.9641 -13.9187 16.8644 -42.5236 19.9642 -42.5236 21.9575 GPRESSAVG: 1897000 -39.2764 -15.7783 20.4251 -13.6195 15.5119 -40.0338 18.9558 -46.9396 22.5275 TIMING: 1897000 CPU: 5720.85, 0.00298686/step Wall: 5720.85, 0.00298686/step, 2.5745 hours remaining, 209.558594 MB of memory in use. ENERGY: 1897000 719.6498 2061.9867 1906.0328 113.7316 -205865.9733 17533.5923 0.0000 0.0000 34094.2038 -149436.7763 297.7532 -183530.9801 -149336.2989 298.5413 -16.9706 16.7362 556088.1302 -0.4090 -0.4124 PRESSURE: 1897200 52.8846 173.452 14.9005 173.452 -96.9283 -42.4124 14.9007 -42.4124 -72.0021 GPRESSURE: 1897200 21.9563 183.616 -8.318 174.371 -47.3893 -37.6244 4.36758 -57.4702 23.856 PRESSAVG: 1897200 -68.3093 18.104 30.7432 18.1041 -42.9331 14.6833 30.7432 14.6832 101.587 GPRESSAVG: 1897200 -69.2941 17.8879 29.517 17.663 -41.4543 13.9605 32.4895 18.4254 101.194 TIMING: 1897200 CPU: 5721.46, 0.00301585/step Wall: 5721.46, 0.00301585/step, 2.59933 hours remaining, 209.558594 MB of memory in use. ENERGY: 1897200 737.0418 2080.4492 1937.5367 104.2948 -205862.7180 17503.1497 0.0000 0.0000 34330.3728 -149169.8731 299.8157 -183500.2459 -149072.2282 298.8416 -38.6819 -0.5257 554801.9772 -3.2184 -3.1849 PRESSURE: 1897400 20.3483 150.241 6.36129 150.24 51.1905 -41.1822 6.36076 -41.1823 4.00874 GPRESSURE: 1897400 101.004 157.7 32.1561 73.9478 103.489 -27.4087 -63.8984 -9.37988 -24.9366 PRESSAVG: 1897400 25.6674 57.5776 19.2495 57.5775 27.1014 -1.27391 19.2494 -1.2738 -17.1379 GPRESSAVG: 1897400 26.4851 59.0887 20.1668 57.2804 26.7997 -2.48569 18.9025 -2.0988 -17.7098 TIMING: 1897400 CPU: 5722.06, 0.00301766/step Wall: 5722.06, 0.00301766/step, 2.60072 hours remaining, 209.558594 MB of memory in use. ENERGY: 1897400 734.1010 2062.3549 1917.1884 110.7492 -205957.7217 17828.5936 0.0000 0.0000 34025.0929 -149279.6418 297.1496 -183304.7346 -149181.4699 300.0649 25.1825 59.8524 555100.0281 11.8770 11.8583 PRESSURE: 1897600 55.1181 180.803 137.975 180.801 130.961 41.1745 137.975 41.1761 19.8057 GPRESSURE: 1897600 25.9871 239.407 182.056 158.411 160.454 16.5892 155.699 24.8175 119.778 PRESSAVG: 1897600 5.96335 16.4582 34.8035 16.4583 37.2186 -49.1878 34.8034 -49.1877 -61.4616 GPRESSAVG: 1897600 6.9866 15.8079 33.8764 17.2616 36.4249 -48.2978 34.8451 -47.9233 -61.4708 TIMING: 1897600 CPU: 5722.67, 0.00304633/step Wall: 5722.67, 0.00304633/step, 2.62526 hours remaining, 209.558594 MB of memory in use. ENERGY: 1897600 739.0259 2114.2342 1919.5393 113.4265 -206273.5345 17958.1248 0.0000 0.0000 34015.5510 -149413.6329 297.0663 -183429.1838 -149318.1088 298.6447 68.6282 102.0731 555778.4931 -6.0932 -6.0198 PRESSURE: 1897800 110.933 -92.0135 -76.7721 -92.0131 42.5628 16.0031 -76.7717 16.0027 -130.998 GPRESSURE: 1897800 146.528 -61.2776 -53.2766 -19.0115 65.9086 -20.5235 -79.4886 -1.52586 -85.3034 PRESSAVG: 1897800 26.0783 15.5514 6.70684 15.5515 -17.299 -14.2922 6.70679 -14.2922 -46.0668 GPRESSAVG: 1897800 24.5638 16.2372 8.76775 14.1001 -16.5713 -13.1 7.02912 -14.8343 -45.0419 TIMING: 1897800 CPU: 5723.28, 0.00303707/step Wall: 5723.28, 0.00303707/step, 2.61711 hours remaining, 209.558594 MB of memory in use. ENERGY: 1897800 728.9892 2116.9280 1920.6818 110.7121 -206125.9328 17742.5178 0.0000 0.0000 34272.5250 -149233.5791 299.3105 -183506.1041 -149138.9339 298.5130 7.4993 42.3778 556262.4108 -12.4292 -12.3498 PRESSURE: 1898000 67.8371 15.9486 -58.8824 15.9487 25.623 -3.93252 -58.8815 -3.9305 14.0969 GPRESSURE: 1898000 122.301 -40.1903 -143.164 -7.8938 44.9814 -23.6422 -65.4496 10.3989 43.6376 PRESSAVG: 1898000 -28.656 -63.0802 2.2918 -63.0804 11.2693 65.0032 2.29171 65.0033 27.7441 GPRESSAVG: 1898000 -28.2912 -64.2535 -0.331295 -60.5581 12.3605 64.2746 2.724 65.2514 26.7089 TIMING: 1898000 CPU: 5723.88, 0.00302494/step Wall: 5723.88, 0.00302494/step, 2.60649 hours remaining, 209.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1898000 753.8875 2095.9445 1903.9477 98.9074 -206152.5501 17864.3656 0.0000 0.0000 34290.8377 -149144.6597 299.4704 -183435.4974 -149054.0912 299.0518 35.8523 70.3067 555735.2403 3.4525 3.5927 PRESSURE: 1898200 -48.0645 195.549 64.247 195.55 -159.857 56.2346 64.2467 56.2363 -17.5137 GPRESSURE: 1898200 13.5929 35.6756 31.6419 305.215 -144.728 7.89502 74.0323 72.9146 -10.253 PRESSAVG: 1898200 -24.9599 -62.4562 -22.5418 -62.4564 -18.2123 22.9165 -22.5418 22.9165 36.346 GPRESSAVG: 1898200 -24.9363 -62.4824 -22.4957 -63.6641 -19.1864 24.0517 -24.1196 22.9887 37.2874 TIMING: 1898200 CPU: 5724.48, 0.00300758/step Wall: 5724.48, 0.00300758/step, 2.59136 hours remaining, 209.558594 MB of memory in use. ENERGY: 1898200 727.9086 2054.0296 1932.1754 115.7254 -205928.1310 17693.7303 0.0000 0.0000 34306.0336 -149098.5280 299.6031 -183404.5616 -149007.3199 300.1301 -75.1450 -47.1292 558297.0816 -2.2754 -2.2784 PRESSURE: 1898400 -194.847 75.4568 15.8073 75.4564 -243.748 106.688 15.8066 106.689 -170.091 GPRESSURE: 1898400 -146.871 -0.574868 -5.69032 146.889 -185.807 31.1094 101.699 143.722 -183.892 PRESSAVG: 1898400 5.77908 27.1296 -10.0843 27.1296 -48.0818 20.7476 -10.0844 20.7475 105.263 GPRESSAVG: 1898400 6.42299 28.5542 -8.08402 26.1666 -47.6983 19.1331 -8.96215 19.6996 104.606 TIMING: 1898400 CPU: 5725.09, 0.00302069/step Wall: 5725.09, 0.00302069/step, 2.60249 hours remaining, 209.558594 MB of memory in use. ENERGY: 1898400 725.6431 2153.6153 1901.0525 118.2167 -205721.1468 17416.4643 0.0000 0.0000 34254.7067 -149151.4482 299.1549 -183406.1550 -149052.5266 300.2736 -202.8956 -172.1899 557949.8473 20.9868 21.1101 PRESSURE: 1898600 -48.643 30.6205 -36.8694 30.62 -138.245 63.7198 -36.8691 63.72 -44.9922 GPRESSURE: 1898600 -34.6749 -15.3119 15.7141 101.071 -94.694 81.7159 -77.1463 165.702 -10.0904 PRESSAVG: 1898600 34.2073 -2.9431 13.7559 -2.94326 -23.7792 41.0072 13.7558 41.0074 0.942508 GPRESSAVG: 1898600 34.3751 -3.64927 12.8233 -2.5919 -23.9946 40.2461 13.0767 42.2685 0.524709 TIMING: 1898600 CPU: 5725.69, 0.00302584/step Wall: 5725.69, 0.00302584/step, 2.60676 hours remaining, 209.761719 MB of memory in use. ENERGY: 1898600 765.4272 2013.7468 1921.0871 103.0850 -206197.9539 17722.2759 0.0000 0.0000 34413.1100 -149259.2219 300.5382 -183672.3319 -149158.6836 299.3672 -77.2935 -46.4865 556691.5801 3.7902 3.6351 PRESSURE: 1898800 110.986 -146.963 179.775 -146.962 -175.564 2.59076 179.776 2.59115 -39.1778 GPRESSURE: 1898800 139.42 -114.914 96.1041 -220.799 -87.5333 37.2701 213.921 -102.94 -56.4016 PRESSAVG: 1898800 -11.633 18.1972 50.3041 18.1972 -69.8106 31.9758 50.3041 31.9759 62.3621 GPRESSAVG: 1898800 -11.9923 19.4721 49.7168 19.4269 -69.9654 32.5246 49.4311 30.181 62.6714 TIMING: 1898800 CPU: 5726.29, 0.00300667/step Wall: 5726.29, 0.00300667/step, 2.59008 hours remaining, 209.761719 MB of memory in use. ENERGY: 1898800 794.7154 2109.2598 1926.9607 123.0574 -206115.7552 17733.1816 0.0000 0.0000 34204.1146 -149224.4658 298.7130 -183428.5804 -149128.6363 299.1541 -34.5852 -1.5050 557613.1661 -6.3605 -6.4288 PRESSURE: 1899000 -105.805 66.3814 -29.1999 66.3822 -264.723 -231.482 -29.1993 -231.482 166.025 GPRESSURE: 1899000 -69.018 63.2171 16.3784 85.5669 -170.857 -413.104 -7.18906 -142.243 140.718 PRESSAVG: 1899000 -60.2693 -12.2974 25.6196 -12.2973 -42.6389 -1.52699 25.6195 -1.52708 94.228 GPRESSAVG: 1899000 -60.0367 -12.0178 24.9707 -15.3186 -42.4187 0.77146 26.6753 -1.33068 93.843 TIMING: 1899000 CPU: 5726.89, 0.00299393/step Wall: 5726.89, 0.00299393/step, 2.57894 hours remaining, 209.761719 MB of memory in use. ENERGY: 1899000 755.7040 2024.9019 1913.0748 117.5527 -206035.4136 17809.0878 0.0000 0.0000 34185.1392 -149229.9533 298.5473 -183415.0924 -149129.6907 298.5152 -68.1678 -33.0522 560468.7930 -2.8934 -2.8708 PRESSURE: 1899200 66.4726 -20.9881 -53.4547 -20.9878 41.2645 -18.7424 -53.4558 -18.7421 245.81 GPRESSURE: 1899200 93.9272 16.5857 -111.532 -9.22119 64.4576 24.8389 19.6147 -35.9258 286.371 PRESSAVG: 1899200 23.1995 -27.6947 -11.6016 -27.6948 -59.8257 2.52921 -11.6016 2.52908 15.0629 GPRESSAVG: 1899200 22.8668 -28.5543 -10.8126 -27.7166 -59.3395 1.18194 -12.2401 2.22304 15.0226 TIMING: 1899200 CPU: 5727.49, 0.00299984/step Wall: 5727.49, 0.00299984/step, 2.58386 hours remaining, 209.761719 MB of memory in use. ENERGY: 1899200 723.2181 2076.6154 1918.0141 113.8209 -206376.8817 17906.5196 0.0000 0.0000 34494.4702 -149144.2235 301.2488 -183638.6937 -149042.2335 299.6942 117.8491 148.2519 556767.2016 -7.1878 -7.1500 PRESSURE: 1899400 164.675 13.5094 14.9104 13.509 66.875 22.0435 14.9107 22.0439 80.333 GPRESSURE: 1899400 243.73 -54.8695 -49.7752 75.4738 38.7435 66.2149 -7.96313 -45.9179 104.381 PRESSAVG: 1899400 33.4723 -39.1233 -39.6254 -39.1233 -56.6865 -60.362 -39.6253 -60.362 34.6226 GPRESSAVG: 1899400 34.1282 -38.74 -41.4996 -37.8612 -57.7619 -60.4544 -39.5111 -58.1754 35.0769 TIMING: 1899400 CPU: 5728.09, 0.00297734/step Wall: 5728.09, 0.00297734/step, 2.56432 hours remaining, 209.761719 MB of memory in use. ENERGY: 1899400 748.4758 2092.2320 1916.8151 120.1581 -206352.5396 18000.6374 0.0000 0.0000 34294.0622 -149180.1591 299.4986 -183474.2212 -149079.5725 300.2047 103.9611 128.9515 557740.2805 3.8028 3.8144 PRESSURE: 1899600 37.7211 -47.2757 32.8201 -47.2754 -235.435 -166.642 32.8202 -166.641 -105.012 GPRESSURE: 1899600 61.4477 -105.973 -62.1955 -126.37 -211.204 -146.614 1.64674 -190.191 -62.8601 PRESSAVG: 1899600 -21.3553 -42.2551 -14.8509 -42.2551 -20.0405 -20.9806 -14.8508 -20.9808 35.4282 GPRESSAVG: 1899600 -22.0078 -43.6732 -13.0994 -42.0761 -19.4523 -20.7882 -13.4495 -24.6621 35.7768 TIMING: 1899600 CPU: 5728.68, 0.00296321/step Wall: 5728.68, 0.00296321/step, 2.55198 hours remaining, 209.761719 MB of memory in use. ENERGY: 1899600 757.5256 2106.3783 1933.4160 97.8457 -206057.8007 17572.7820 0.0000 0.0000 34312.4414 -149277.4117 299.6591 -183589.8531 -149182.0018 298.9744 -100.9085 -70.8722 556586.3749 -1.9892 -1.8945 PRESSURE: 1899800 -36.1497 -20.719 -49.3439 -20.7171 -104.198 -193.662 -49.3446 -193.662 220.51 GPRESSURE: 1899800 9.41765 21.7524 -72.9492 -37.3448 -8.21942 -191.02 -21.2992 -138.579 184.49 PRESSAVG: 1899800 -7.8556 -13.0307 28.0676 -13.0307 11.4439 -2.59945 28.0677 -2.59949 34.4913 GPRESSAVG: 1899800 -8.66843 -14.6648 26.8543 -11.9885 12.3237 -2.61545 29.5797 0.262675 34.4074 TIMING: 1899800 CPU: 5729.28, 0.00297974/step Wall: 5729.28, 0.00297974/step, 2.56606 hours remaining, 209.761719 MB of memory in use. ENERGY: 1899800 745.4614 2166.6207 1921.1204 136.3949 -206234.7727 17694.4273 0.0000 0.0000 34294.1413 -149276.6066 299.4993 -183570.7479 -149176.1783 299.4817 26.7208 61.8962 555897.7334 12.6932 12.6875 PRESSURE: 1900000 195.996 -125.447 -50.3875 -125.447 12.2496 -180.483 -50.3873 -180.483 193.388 GPRESSURE: 1900000 248.628 -125.817 -3.03125 -127.884 13.2184 -97.2227 -27.9423 -146.616 227.193 PRESSAVG: 1900000 -31.1077 7.00487 -22.9636 7.00495 47.2355 -60.6884 -22.9636 -60.6883 6.443 GPRESSAVG: 1900000 -29.7434 8.42521 -22.7008 6.41355 47.2132 -61.5153 -23.0178 -60.9209 5.39832 TIMING: 1900000 CPU: 5729.87, 0.00297785/step Wall: 5729.87, 0.00297785/step, 2.56426 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: 1900000 733.9643 2164.7064 1936.4662 110.0483 -206747.3448 18034.4037 0.0000 0.0000 34248.4495 -149519.3064 299.1002 -183767.7559 -149420.0459 298.9713 133.8779 163.0130 554963.4565 7.5236 7.6227 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1900000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 1900000 WRITING COORDINATES TO RESTART FILE AT STEP 1900000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1900200 -25.0967 47.6164 16.755 47.6155 21.7466 -67.0145 16.7546 -67.0127 99.4499 GPRESSURE: 1900200 -32.1634 -10.7926 66.9717 52.2606 67.9794 -63.2319 -77.5145 -45.2121 157.124 PRESSAVG: 1900200 -13.4526 -57.0903 27.0368 -57.0902 45.1778 -43.7104 27.0367 -43.7103 3.29015 GPRESSAVG: 1900200 -14.9617 -57.4752 27.5035 -57.6615 45.7086 -43.554 24.7493 -45.2904 4.39629 TIMING: 1900200 CPU: 5730.49, 0.00307411/step Wall: 5730.49, 0.00307411/step, 2.64698 hours remaining, 209.761719 MB of memory in use. ENERGY: 1900200 761.1151 2119.4204 1946.2216 116.9589 -206333.8672 17809.1197 0.0000 0.0000 34109.6979 -149471.3336 297.8885 -183581.0315 -149373.1288 298.3786 32.0333 64.3133 555358.2357 11.6718 11.7144 LDB: ============= START OF LOAD BALANCING ============== 5734 LDB: ============== END OF LOAD BALANCING =============== 5734 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5734 LDB: ============= START OF LOAD BALANCING ============== 5734.3 LDB: Largest compute 4800 load 0.030451 is 25.8% of average load 0.118065 LDB: Average compute 0.001722 is 1.5% of average load 0.118065 LDB: TIME 5734.3 LOAD: AVG 0.118065 MAX 0.209381 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.992 MB LDB: TIME 5734.3 LOAD: AVG 0.118065 MAX 0.209381 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.992 MB LDB: TIME 5734.3 LOAD: AVG 0.118065 MAX 0.209381 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.992 MB LDB: ============== END OF LOAD BALANCING =============== 5734.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5734.31 PRESSURE: 1900400 -138.403 -91.7234 166.701 -91.7244 138.359 11.3878 166.703 11.3855 -0.606673 GPRESSURE: 1900400 -97.4211 -3.06236 172.791 -114.549 180.783 7.88012 211.613 -31.1631 23.8559 PRESSAVG: 1900400 19.1091 -34.4582 -20.9684 -34.4583 -4.65563 -4.23774 -20.9684 -4.2377 -40.1026 GPRESSAVG: 1900400 19.9391 -33.9453 -20.1519 -33.8632 -5.14016 -2.17203 -20.3523 -2.9426 -40.3363 TIMING: 1900400 CPU: 5731.09, 0.00303162/step Wall: 5731.09, 0.00303162/step, 2.61022 hours remaining, 208.527344 MB of memory in use. ENERGY: 1900400 742.1142 2073.2694 1924.4224 111.8510 -206547.2843 17804.8617 0.0000 0.0000 34475.8187 -149414.9469 301.0859 -183890.7656 -149316.0441 298.2772 -0.2172 35.7392 556915.3224 -8.5497 -8.5124 PRESSURE: 1900600 -300.276 63.0125 -43.4467 63.0114 -325.062 -0.124816 -43.4477 -0.125916 -283.952 GPRESSURE: 1900600 -274.098 193.419 32.0033 -22.6255 -257.257 26.4641 -26.3727 44.5172 -281.786 PRESSAVG: 1900600 -46.9683 -6.29029 25.7561 -6.29025 49.4551 57.9734 25.7561 57.9734 9.35958 GPRESSAVG: 1900600 -46.9353 -6.58047 26.3633 -5.81416 49.7131 55.9015 25.7772 58.5635 9.38587 TIMING: 1900600 CPU: 5731.69, 0.00298216/step Wall: 5731.69, 0.00298216/step, 2.56747 hours remaining, 208.597656 MB of memory in use. ENERGY: 1900600 765.8997 2083.7119 1895.5659 115.7501 -205807.4106 17420.1739 0.0000 0.0000 34004.3176 -149521.9916 296.9682 -183526.3092 -149424.8617 298.2001 -303.0968 -271.0469 558703.9745 3.9488 4.0545 PRESSURE: 1900800 174.629 63.1192 -9.93226 63.1185 62.3841 179.433 -9.93187 179.433 -134.35 GPRESSURE: 1900800 192.195 11.5408 -43.5835 79.9624 76.0942 91.3026 15.2728 202.423 -63.0729 PRESSAVG: 1900800 -13.4484 -33.1394 23.7278 -33.1395 34.9239 99.9432 23.7277 99.9432 -32.9131 GPRESSAVG: 1900800 -13.8746 -32.2465 24.1704 -34.5379 35.0126 98.8748 22.8103 100.118 -33.0429 TIMING: 1900800 CPU: 5732.29, 0.00299258/step Wall: 5732.29, 0.00299258/step, 2.57628 hours remaining, 208.597656 MB of memory in use. ENERGY: 1900800 766.3307 2043.8684 1921.7991 103.7978 -206392.9651 17887.2847 0.0000 0.0000 34207.9125 -149461.9720 298.7462 -183669.8845 -149360.6836 297.9761 34.2209 68.4054 555378.4807 -3.8125 -3.9683 PRESSURE: 1901000 -91.7127 -84.4636 -1.52928 -84.4636 -130.594 0.820541 -1.53001 0.820869 -9.27733 GPRESSURE: 1901000 -140.769 -59.6851 42.385 -116.25 -77.8349 -83.9337 -69.5832 -17.0165 81.7557 PRESSAVG: 1901000 -30.9616 11.0256 37.89 11.0255 69.6608 17.7643 37.89 17.7643 32.209 GPRESSAVG: 1901000 -32.5143 10.0488 34.8596 13.0386 69.4711 18.5008 38.0591 16.593 33.2162 TIMING: 1901000 CPU: 5732.89, 0.00299901/step Wall: 5732.89, 0.00299901/step, 2.58165 hours remaining, 208.597656 MB of memory in use. ENERGY: 1901000 776.6598 2036.7044 1931.1433 107.9949 -206397.8229 17788.9216 0.0000 0.0000 34306.6915 -149449.7074 299.6089 -183756.3989 -149347.5863 299.0120 -77.1948 -45.6161 557423.5961 23.6361 23.3910 PRESSURE: 1901200 57.431 -54.5546 -96.5293 -54.5551 72.1926 -77.2664 -96.5278 -77.2651 -115.099 GPRESSURE: 1901200 45.7818 -2.30307 4.7118 -31.4207 121.067 -72.5992 -140.717 -9.43751 -59.6627 PRESSAVG: 1901200 -24.2047 14.1296 -7.90475 14.1296 -32.3835 11.1514 -7.90469 11.1514 31.4903 GPRESSAVG: 1901200 -22.235 14.7146 -5.23796 13.6356 -33.1102 12.5866 -9.54811 10.8844 30.5568 TIMING: 1901200 CPU: 5733.49, 0.00299278/step Wall: 5733.49, 0.00299278/step, 2.57612 hours remaining, 208.597656 MB of memory in use. ENERGY: 1901200 779.4994 2039.6495 1922.5102 110.6660 -206576.3111 17977.8279 0.0000 0.0000 34352.1040 -149394.0542 300.0055 -183746.1582 -149301.1468 299.6478 4.8415 35.7289 557242.0775 -8.3660 -8.2628 PRESSURE: 1901400 220.804 -9.78076 -51.1683 -9.78111 -90.2812 89.6991 -51.1682 89.6989 -89.8128 GPRESSURE: 1901400 248.942 -19.7163 -84.3112 -34.4429 -84.0151 4.3341 5.25747 128.539 -24.3202 PRESSAVG: 1901400 58.3139 -16.5803 -20.743 -16.5803 37.8388 -0.27455 -20.743 -0.274708 -31.8651 GPRESSAVG: 1901400 59.1789 -14.6645 -21.7829 -16.4487 37.3661 0.320472 -19.9604 -0.598145 -32.2315 TIMING: 1901400 CPU: 5734.09, 0.00301076/step Wall: 5734.09, 0.00301076/step, 2.59143 hours remaining, 208.597656 MB of memory in use. ENERGY: 1901400 741.9901 2147.8844 1914.3080 113.3307 -206195.8328 17755.6191 0.0000 0.0000 34263.5740 -149259.1265 299.2323 -183522.7005 -149160.5740 299.5749 13.5701 46.8689 556213.9893 21.4292 21.4378 PRESSURE: 1901600 77.3564 -51.7559 52.336 -51.7564 268.714 -39.4281 52.3368 -39.4277 -131.705 GPRESSURE: 1901600 125.612 -86.1046 24.5932 -14.0392 271.859 -45.7019 87.5664 -35.9726 -107.525 PRESSAVG: 1901600 2.57289 -54.1765 -28.0248 -54.1765 -24.6471 27.5916 -28.0248 27.5916 11.3734 GPRESSAVG: 1901600 1.62637 -56.3388 -29.1173 -53.5883 -25.5756 25.0841 -25.574 29.2528 13.0226 TIMING: 1901600 CPU: 5734.69, 0.002993/step Wall: 5734.69, 0.002993/step, 2.57598 hours remaining, 208.597656 MB of memory in use. ENERGY: 1901600 799.6177 2063.1188 1916.5611 114.1059 -206287.0288 17993.1541 0.0000 0.0000 34192.8141 -149207.6570 298.6144 -183400.4711 -149108.1526 299.6015 71.4551 96.6484 556456.5049 -3.5669 -3.6422 PRESSURE: 1901800 219.827 45.5168 54.308 45.5148 -157.398 -1.8767 54.308 -1.87584 -236.624 GPRESSURE: 1901800 245.506 93.5684 56.0883 98.9251 -112.366 140.268 26.6747 56.4832 -202.828 PRESSAVG: 1901800 15.9161 4.35497 -2.78204 4.35493 9.40943 18.1137 -2.78196 18.1137 -6.28091 GPRESSAVG: 1901800 15.0372 4.82464 -4.41021 4.15944 10.745 19.3756 -3.33577 17.2664 -6.7145 TIMING: 1901800 CPU: 5735.29, 0.00302372/step Wall: 5735.29, 0.00302372/step, 2.60225 hours remaining, 208.597656 MB of memory in use. ENERGY: 1901800 735.2172 2077.3694 1952.3918 115.6944 -205688.4089 17554.0235 0.0000 0.0000 33887.0611 -149366.6515 295.9441 -183253.7127 -149266.6158 299.8961 -58.0651 -23.2292 557396.4213 6.3482 6.3559 PRESSURE: 1902000 34.0028 5.44569 19.8269 5.44564 -254.449 20.2432 19.827 20.244 -236.454 GPRESSURE: 1902000 75.1368 -3.62984 -60.8723 42.3854 -214.1 81.4981 17.468 20.5503 -213.459 PRESSAVG: 1902000 4.91013 47.1955 2.74143 47.1955 25.3201 61.5027 2.74149 61.5027 -46.6584 GPRESSAVG: 1902000 6.08234 45.3132 4.40881 48.8404 25.2529 61.2053 1.40214 62.1078 -47.3256 TIMING: 1902000 CPU: 5735.9, 0.00303267/step Wall: 5735.9, 0.00303267/step, 2.60978 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: 1902000 763.4306 2072.6342 1919.4868 108.2525 -206393.6437 17693.2596 0.0000 0.0000 34267.9112 -149568.6687 299.2702 -183836.5798 -149476.2469 299.2552 -152.3000 -117.4742 556448.3004 -5.4761 -5.3301 PRESSURE: 1902200 -351.283 -70.7725 69.2258 -70.773 -332.298 -99.5274 69.226 -99.5262 -428.683 GPRESSURE: 1902200 -344.26 -87.421 46.8055 7.02838 -287.367 -75.5534 15.6458 -57.0326 -369.896 PRESSAVG: 1902200 -18.7653 -6.78698 30.1227 -6.78699 -8.09105 48.4885 30.1227 48.4885 6.65401 GPRESSAVG: 1902200 -19.0884 -4.94863 30.4851 -8.58051 -9.28152 46.3136 30.0295 48.7266 8.14733 TIMING: 1902200 CPU: 5736.51, 0.0030407/step Wall: 5736.51, 0.0030407/step, 2.61652 hours remaining, 208.597656 MB of memory in use. ENERGY: 1902200 797.0217 2074.7952 1919.9190 108.3614 -205922.0332 17230.9858 0.0000 0.0000 34242.0689 -149548.8812 299.0445 -183790.9501 -149446.1707 299.1543 -370.7548 -333.8408 557717.4420 -6.7341 -6.7409 PRESSURE: 1902400 -78.8505 -47.513 0.477326 -47.5125 -347.285 231.161 0.477835 231.161 -295.763 GPRESSURE: 1902400 -42.9018 -33.2706 42.2104 -62.9536 -267.323 174.038 -45.9871 262.827 -307.683 PRESSAVG: 1902400 14.5792 -2.21442 -7.68459 -2.21446 12.3036 20.7375 -7.68463 20.7375 -28.655 GPRESSAVG: 1902400 14.7384 -1.51639 -7.25462 -2.56327 13.5196 24.861 -10.068 19.1768 -29.7263 TIMING: 1902400 CPU: 5737.11, 0.00302473/step Wall: 5737.11, 0.00302473/step, 2.60261 hours remaining, 208.597656 MB of memory in use. ENERGY: 1902400 761.0805 2114.8427 1895.8070 110.7633 -206065.5307 17433.4777 0.0000 0.0000 34274.9761 -149474.5833 299.3319 -183749.5594 -149377.6458 299.1149 -240.6326 -205.9694 557309.6044 -0.5907 -0.4894 PRESSURE: 1902600 -102.55 -102.112 23.9646 -102.113 -156.161 148.362 23.9654 148.363 53.0417 GPRESSURE: 1902600 -123.005 -90.0717 93.5399 -14.3525 -85.6447 195.004 -86.8604 176.722 92.9288 PRESSAVG: 1902600 39.6655 34.6503 34.8461 34.6503 -82.0106 -8.26496 34.846 -8.26489 -2.24965 GPRESSAVG: 1902600 40.4995 34.331 34.3283 34.8717 -81.9127 -8.21265 35.8377 -6.32777 -2.49329 TIMING: 1902600 CPU: 5737.73, 0.00307248/step Wall: 5737.73, 0.00307248/step, 2.64353 hours remaining, 208.597656 MB of memory in use. ENERGY: 1902600 748.0970 2106.1353 1898.4500 113.9010 -206209.4715 17608.5215 0.0000 0.0000 34147.5329 -149586.8338 298.2189 -183734.3667 -149494.2529 298.5719 -68.5564 -38.5735 556812.7791 -14.8649 -14.6355 PRESSURE: 1902800 -135.574 -14.289 110.431 -14.2892 -201.297 3.82941 110.43 3.82906 -179.027 GPRESSURE: 1902800 -135.273 -10.9115 108.343 9.14476 -121.582 22.4054 142.795 -15.6269 -152.613 PRESSAVG: 1902800 4.05253 26.2714 -23.8357 26.2714 -78.2357 -5.56675 -23.8357 -5.56685 62.0177 GPRESSAVG: 1902800 3.96864 24.7615 -23.3622 26.9505 -78.3616 -7.11161 -22.501 -6.4045 62.3814 TIMING: 1902800 CPU: 5738.34, 0.00304941/step Wall: 5738.34, 0.00304941/step, 2.62351 hours remaining, 208.597656 MB of memory in use. ENERGY: 1902800 768.9539 2088.6829 1935.2945 99.5474 -205672.6095 17385.9348 0.0000 0.0000 33933.0363 -149461.1597 296.3456 -183394.1960 -149372.1223 298.5242 -171.9657 -136.4890 556000.1691 -4.0552 -4.0038 PRESSURE: 1903000 -407.259 -13.3603 21.3457 -13.3612 -344.734 147.756 21.3465 147.755 130.923 GPRESSURE: 1903000 -359.379 16.0634 0.645481 -7.56639 -336.141 75.5582 -22.5656 244.139 176.654 PRESSAVG: 1903000 22.7287 -0.611476 -33.5925 -0.611491 25.177 53.248 -33.5925 53.2481 -35.8192 GPRESSAVG: 1903000 22.3478 0.315803 -34.8256 -2.85021 24.8676 52.293 -33.2587 54.944 -35.2686 TIMING: 1903000 CPU: 5738.95, 0.00304218/step Wall: 5738.95, 0.00304218/step, 2.61712 hours remaining, 208.597656 MB of memory in use. ENERGY: 1903000 730.2893 2041.8508 1943.4032 95.5185 -205962.3825 17559.2078 0.0000 0.0000 34312.5036 -149279.6093 299.6596 -183592.1129 -149180.8835 298.6556 -207.0234 -172.9555 557033.9939 4.0288 3.9823 PRESSURE: 1903200 -179.959 -27.2335 -191.36 -27.2343 68.743 -6.55651 -191.36 -6.55699 6.03479 GPRESSURE: 1903200 -138.17 -86.4068 -162.646 -84.5983 107.317 27.8656 -143.627 12.0953 19.9614 PRESSAVG: 1903200 -35.5233 -26.8444 -42.5165 -26.8445 6.60531 16.3717 -42.5164 16.3717 73.4354 GPRESSAVG: 1903200 -36.0671 -26.4612 -40.8654 -25.6144 6.65436 17.6941 -44.0791 15.7012 73.4786 TIMING: 1903200 CPU: 5739.54, 0.00299654/step Wall: 5739.54, 0.00299654/step, 2.57769 hours remaining, 208.859375 MB of memory in use. ENERGY: 1903200 715.2088 2062.9579 1945.7898 125.0121 -206001.7842 17483.2287 0.0000 0.0000 34239.4846 -149430.1023 299.0219 -183669.5869 -149329.7715 299.2923 -35.0605 -3.6305 555340.4903 14.8392 14.6886 PRESSURE: 1903400 -79.0286 -126.139 49.9154 -126.139 -65.0576 -90.1204 49.914 -90.1204 -136.483 GPRESSURE: 1903400 -7.00233 -111.976 27.6403 -171.685 -26.1891 -77.259 24.8853 -109.349 -138.76 PRESSAVG: 1903400 26.0047 -3.05504 -62.3488 -3.05493 -30.6594 -11.0762 -62.3488 -11.0761 -11.4671 GPRESSAVG: 1903400 26.6278 -2.03571 -62.6334 -3.78654 -30.7283 -13.5976 -61.2416 -10.2754 -11.6532 TIMING: 1903400 CPU: 5740.14, 0.0029752/step Wall: 5740.14, 0.0029752/step, 2.55917 hours remaining, 208.859375 MB of memory in use. ENERGY: 1903400 739.6018 2033.7713 1934.6835 112.0639 -205956.5550 17579.1881 0.0000 0.0000 34196.8651 -149360.3813 298.6497 -183557.2464 -149256.6825 299.3030 -93.5230 -57.3170 556157.4475 -5.3740 -5.2512 PRESSURE: 1903600 -35.8759 -33.5147 -157.897 -33.5152 -222.486 -70.2271 -157.898 -70.228 -435.456 GPRESSURE: 1903600 -50.7509 -5.12869 -161.455 -88.1898 -173.903 -94.3115 -240.867 -85.1872 -368.202 PRESSAVG: 1903600 -12.5217 -44.698 6.06072 -44.698 20.22 9.53889 6.0607 9.53879 11.9977 GPRESSAVG: 1903600 -12.9483 -44.5386 5.79977 -44.9965 20.2356 10.2461 4.88212 9.99969 12.6499 TIMING: 1903600 CPU: 5740.73, 0.00295855/step Wall: 5740.73, 0.00295855/step, 2.54468 hours remaining, 208.859375 MB of memory in use. ENERGY: 1903600 754.7476 2010.5549 1911.6142 120.6114 -205827.9925 17485.8680 0.0000 0.0000 34121.2873 -149423.3091 297.9897 -183544.5964 -149327.9668 298.1327 -231.2726 -197.6188 557946.1289 6.5653 6.6457 PRESSURE: 1903800 66.7087 -72.6398 52.9292 -72.6387 99.3897 224.895 52.9294 224.895 106.92 GPRESSURE: 1903800 111.323 -8.54105 56.6235 -95.517 123.396 332.909 -2.50614 120.958 140.829 PRESSAVG: 1903800 11.7373 -19.8935 23.821 -19.8935 26.641 1.18691 23.821 1.18693 2.38124 GPRESSAVG: 1903800 11.6968 -19.55 23.7741 -19.4629 26.1585 4.8371 26.2515 -2.84201 2.33941 TIMING: 1903800 CPU: 5741.33, 0.00298605/step Wall: 5741.33, 0.00298605/step, 2.56817 hours remaining, 208.859375 MB of memory in use. ENERGY: 1903800 785.5705 2023.3437 1921.4195 97.0381 -206631.6526 18134.8156 0.0000 0.0000 34333.4879 -149335.9773 299.8429 -183669.4652 -149245.3383 298.4071 91.0060 125.1827 558877.0766 13.5865 13.3982 PRESSURE: 1904000 -206.072 -27.7709 -183.535 -27.7694 120.189 -64.3709 -183.535 -64.3724 -90.7523 GPRESSURE: 1904000 -119.269 10.2062 -167.2 -4.50145 131.174 -53.601 -164.781 -47.251 -98.2297 PRESSAVG: 1904000 -18.1791 43.9008 -41.9173 43.9008 45.8314 5.13594 -41.9174 5.13582 -41.5259 GPRESSAVG: 1904000 -16.9563 42.2212 -42.4562 44.3982 45.2631 2.81427 -42.7093 8.34616 -42.2103 TIMING: 1904000 CPU: 5741.93, 0.00298671/step Wall: 5741.93, 0.00298671/step, 2.56857 hours remaining, 208.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1904000 724.4023 2083.2870 1917.1061 113.9749 -206177.2060 17807.4782 0.0000 0.0000 34167.4974 -149363.4600 298.3933 -183530.9574 -149261.9599 298.7436 -58.8787 -28.7749 558937.0337 -4.6245 -4.6345 PRESSURE: 1904200 -274.609 -205.741 123.283 -205.741 -247.885 -21.7021 123.283 -21.7027 -326.631 GPRESSURE: 1904200 -303.418 -180.259 158.411 -219.364 -147.992 -6.76729 136.011 13.7377 -282.733 PRESSAVG: 1904200 55.7187 25.8112 -3.08314 25.811 6.8363 36.8192 -3.08317 36.8192 7.78719 GPRESSAVG: 1904200 55.7732 26.711 -0.756531 25.9663 6.88261 37.9894 -3.5759 35.6148 7.76543 TIMING: 1904200 CPU: 5742.53, 0.00301041/step Wall: 5742.53, 0.00301041/step, 2.58879 hours remaining, 208.859375 MB of memory in use. ENERGY: 1904200 756.7923 2073.8949 1937.3001 101.0131 -206232.1298 17600.1273 0.0000 0.0000 34516.8940 -149246.1082 301.4446 -183763.0022 -149153.7517 299.3068 -283.0416 -244.7144 559228.5884 23.4474 23.4738 LDB: ============= START OF LOAD BALANCING ============== 5746.05 LDB: ============== END OF LOAD BALANCING =============== 5746.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5746.05 LDB: ============= START OF LOAD BALANCING ============== 5746.35 LDB: Largest compute 4772 load 0.028910 is 24.5% of average load 0.118073 LDB: Average compute 0.001717 is 1.5% of average load 0.118073 LDB: TIME 5746.35 LOAD: AVG 0.118073 MAX 0.208536 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.754 MB LDB: TIME 5746.35 LOAD: AVG 0.118073 MAX 0.208536 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.828 MB LDB: TIME 5746.35 LOAD: AVG 0.118073 MAX 0.208536 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.828 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5746.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5746.36 PRESSURE: 1904400 -51.8365 -53.6844 60.5021 -53.6845 -25.817 97.899 60.503 97.9007 196.492 GPRESSURE: 1904400 -55.0368 -41.5607 62.0512 -29.8481 10.0935 147.587 -31.5687 206.453 263.551 PRESSAVG: 1904400 18.8612 9.89695 27.2537 9.89703 19.1269 33.1957 27.2537 33.1957 -33.5663 GPRESSAVG: 1904400 18.6714 9.23961 25.2601 7.40684 19.2515 30.7921 27.8581 34.7688 -33.4261 TIMING: 1904400 CPU: 5743.14, 0.00305512/step Wall: 5743.14, 0.00305512/step, 2.62707 hours remaining, 207.949219 MB of memory in use. ENERGY: 1904400 770.2637 2045.1217 1931.4451 104.4174 -206084.2487 17698.7166 0.0000 0.0000 34164.6647 -149369.6195 298.3685 -183534.2842 -149274.9176 299.0483 39.6130 72.8692 557339.7167 1.4739 1.4989 PRESSURE: 1904600 5.63286 114.896 -76.6939 114.894 41.2737 -3.31304 -76.6932 -3.31331 -99.2024 GPRESSURE: 1904600 2.72211 92.6309 -119.21 154.756 50.9558 -52.6684 -64.7121 77.5406 -4.62715 PRESSAVG: 1904600 -39.9003 -30.4798 -1.62746 -30.4799 -2.0703 25.0396 -1.62744 25.0396 91.9038 GPRESSAVG: 1904600 -40.9782 -30.431 -1.30576 -28.1614 -0.652414 23.1239 -2.22087 26.1689 91.5358 TIMING: 1904600 CPU: 5743.74, 0.00300964/step Wall: 5743.74, 0.00300964/step, 2.58779 hours remaining, 207.949219 MB of memory in use. ENERGY: 1904600 754.9621 2065.4711 1930.6577 126.8138 -206312.7192 17770.8680 0.0000 0.0000 34320.9160 -149343.0305 299.7331 -183663.9465 -149244.1739 298.4777 -17.4319 16.3503 556279.6117 16.6444 16.6351 PRESSURE: 1904800 -207.295 214.784 -156.847 214.783 -84.3168 96.681 -156.847 96.6816 -17.2629 GPRESSURE: 1904800 -220.505 228.455 -20.0129 193.804 -34.1015 121.726 -193.255 140.955 30.7473 PRESSAVG: 1904800 -50.6685 27.8026 -14.4604 27.8025 12.6727 -39.3235 -14.4604 -39.3235 7.87779 GPRESSAVG: 1904800 -49.9805 28.481 -14.1147 26.8367 11.7142 -36.0128 -13.8762 -42.5006 7.98152 TIMING: 1904800 CPU: 5744.35, 0.00301951/step Wall: 5744.35, 0.00301951/step, 2.59611 hours remaining, 207.949219 MB of memory in use. ENERGY: 1904800 729.2662 2116.8294 1922.2766 108.5245 -206173.8367 17786.9281 0.0000 0.0000 34184.9107 -149325.1012 298.5453 -183510.0119 -149228.3354 299.0183 -102.9583 -74.6198 558176.7733 -10.0393 -10.0949 PRESSURE: 1905000 96.7754 -263.954 -155.119 -263.955 37.8697 98.4896 -155.119 98.4889 105.081 GPRESSURE: 1905000 131.661 -350.472 -152.743 -203.681 125.575 136.377 -157.435 45.9378 85.4064 PRESSAVG: 1905000 -32.8075 -48.7127 -19.0856 -48.7128 -22.5242 14.0582 -19.0855 14.0583 41.3494 GPRESSAVG: 1905000 -33.7581 -52.4527 -17.8227 -47.6005 -22.7387 13.0137 -19.666 13.6573 42.0424 TIMING: 1905000 CPU: 5744.94, 0.00299659/step Wall: 5744.94, 0.00299659/step, 2.57623 hours remaining, 207.949219 MB of memory in use. ENERGY: 1905000 767.8106 2096.8343 1905.0669 115.9426 -206797.9991 18225.7038 0.0000 0.0000 34300.7280 -149385.9128 299.5568 -183686.6408 -149289.6575 299.1730 79.9087 114.2142 558153.1374 -4.6608 -4.8181 PRESSURE: 1905200 -148.848 75.5077 124.09 75.5069 -253.034 -84.6471 124.09 -84.6474 28.675 GPRESSURE: 1905200 -113.206 128.404 202.214 -23.762 -258.962 -43.3592 32.8031 -77.2626 102.034 PRESSAVG: 1905200 -20.6904 -71.6668 -30.4216 -71.6668 -12.961 45.5977 -30.4216 45.5979 35.5738 GPRESSAVG: 1905200 -21.2158 -68.298 -29.5446 -72.0494 -12.2545 46.9255 -32.7037 45.4732 35.2741 TIMING: 1905200 CPU: 5745.55, 0.00302962/step Wall: 5745.55, 0.00302962/step, 2.60446 hours remaining, 207.949219 MB of memory in use. ENERGY: 1905200 774.4569 2100.9757 1919.3114 114.4074 -206193.9174 17715.7623 0.0000 0.0000 34208.2859 -149360.7179 298.7495 -183569.0037 -149265.6699 299.3309 -124.4025 -90.0450 558433.1519 0.6408 0.6013 PRESSURE: 1905400 -373.486 10.6054 48.3002 10.6053 107.868 -27.9625 48.3011 -27.9632 167.225 GPRESSURE: 1905400 -290.112 19.8375 35.7825 -21.0869 157.405 -122.622 112.69 23.2812 136.69 PRESSAVG: 1905400 1.32954 -5.31866 7.53246 -5.31874 -26.4478 -12.4398 7.5325 -12.44 26.8605 GPRESSAVG: 1905400 1.86326 -5.94043 4.73178 -4.32992 -26.4632 -14.7851 10.6667 -11.1824 26.6928 TIMING: 1905400 CPU: 5746.16, 0.00305131/step Wall: 5746.16, 0.00305131/step, 2.62294 hours remaining, 207.949219 MB of memory in use. ENERGY: 1905400 810.8013 2096.6957 1934.8930 110.4192 -206589.7054 17942.3912 0.0000 0.0000 34159.2369 -149535.2681 298.3211 -183694.5050 -149446.2945 298.5474 -32.7980 1.3275 557679.8476 0.5808 0.6976 PRESSURE: 1905600 -98.6444 -6.02947 48.7956 -6.02881 -43.1268 -43.3994 48.7955 -43.3986 -194.135 GPRESSURE: 1905600 -119.304 68.3963 29.8029 19.2216 -17.5214 -47.7534 82.5554 -12.9901 -106.109 PRESSAVG: 1905600 -32.6981 36.897 -29.0418 36.897 18.4455 -26.2681 -29.0418 -26.2681 42.2884 GPRESSAVG: 1905600 -32.8704 37.211 -29.0969 37.1867 17.992 -23.9183 -29.9522 -26.5258 42.3628 TIMING: 1905600 CPU: 5746.76, 0.00301692/step Wall: 5746.76, 0.00301692/step, 2.59321 hours remaining, 207.949219 MB of memory in use. ENERGY: 1905600 758.3795 2099.9223 1930.8940 108.9191 -206288.0438 17815.3286 0.0000 0.0000 34019.6324 -149554.9679 297.1019 -183574.6003 -149465.9892 298.7661 -111.9686 -80.9780 557488.8878 9.3453 9.1615 PRESSURE: 1905800 -329.774 -39.4714 82.1886 -39.4724 35.4035 78.527 82.1881 78.527 -141.727 GPRESSURE: 1905800 -214.92 -53.7833 126.789 -50.6084 38.8075 155.256 -40.9855 87.0026 -154.129 PRESSAVG: 1905800 -63.3231 6.01032 -31.1123 6.01027 28.4408 45.6633 -31.1124 45.6633 -35.0637 GPRESSAVG: 1905800 -63.321 6.93181 -30.6983 3.42944 28.2188 44.351 -32.0085 45.228 -34.8662 TIMING: 1905800 CPU: 5747.37, 0.00301258/step Wall: 5747.37, 0.00301258/step, 2.58931 hours remaining, 207.949219 MB of memory in use. ENERGY: 1905800 704.4399 2068.1164 1937.3991 101.7651 -206081.5560 17515.3217 0.0000 0.0000 34257.3670 -149497.1468 299.1781 -183754.5138 -149394.6680 299.1839 -145.3656 -110.0803 557381.1972 -23.3153 -23.3228 PRESSURE: 1906000 -10.7355 -79.4986 -55.6208 -79.4987 200.409 99.7666 -55.6221 99.7653 251.959 GPRESSURE: 1906000 62.9505 -12.0672 -124.511 -14.5179 203.576 71.2316 54.5939 121.528 279.877 PRESSAVG: 1906000 37.3051 3.72894 14.8843 3.72896 29.8167 51.855 14.8842 51.8549 -64.1523 GPRESSAVG: 1906000 38.4851 2.00808 13.8939 5.21918 28.591 51.0274 16.1733 54.1753 -63.8542 TIMING: 1906000 CPU: 5747.97, 0.00302582/step Wall: 5747.97, 0.00302582/step, 2.60052 hours remaining, 207.949219 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: 1906000 725.5110 2057.7722 1919.7315 119.1273 -206605.0498 18021.1597 0.0000 0.0000 34367.5642 -149394.1838 300.1405 -183761.7480 -149293.4492 298.8525 147.2111 182.1344 556023.6902 0.9898 1.0740 PRESSURE: 1906200 -74.5963 -25.7718 5.84629 -25.7712 -1.20243 68.0105 5.84752 68.011 108.766 GPRESSURE: 1906200 -63.3063 18.7885 -6.50614 -44.4372 47.9921 42.3358 -13.163 10.7022 149.806 PRESSAVG: 1906200 0.0749894 -45.9597 40.2758 -45.9597 -8.04933 7.33944 40.2758 7.33931 -4.80009 GPRESSAVG: 1906200 -0.611795 -44.0221 39.934 -45.7548 -7.34389 8.96819 42.4418 3.75148 -4.69787 TIMING: 1906200 CPU: 5748.58, 0.00303817/step Wall: 5748.58, 0.00303817/step, 2.61097 hours remaining, 207.949219 MB of memory in use. ENERGY: 1906200 750.0655 2027.7265 1930.4588 98.2269 -206401.7561 17922.3599 0.0000 0.0000 34060.0521 -149612.8665 297.4549 -183672.9186 -149522.7627 298.2001 10.9890 44.8307 559541.8551 -4.2581 -4.2179 PRESSURE: 1906400 -214.208 -0.599231 -159.97 -0.598624 -108.483 138.059 -159.969 138.056 -133.524 GPRESSURE: 1906400 -203.743 -1.18724 -147.53 -54.0532 -37.2714 148.298 -115.62 67.2291 -134.027 PRESSAVG: 1906400 49.8006 11.4666 -26.3258 11.4665 -27.0151 22.4752 -26.3257 22.4752 17.5045 GPRESSAVG: 1906400 49.577 10.9413 -24.1304 11.7518 -26.6215 22.7344 -28.2368 22.7466 17.0376 TIMING: 1906400 CPU: 5749.18, 0.00300578/step Wall: 5749.18, 0.00300578/step, 2.58297 hours remaining, 208.210938 MB of memory in use. ENERGY: 1906400 793.7369 2051.2638 1926.0245 109.2548 -206290.8331 17792.6163 0.0000 0.0000 34064.4225 -149553.5143 297.4931 -183617.9368 -149458.7810 298.2915 -152.0715 -125.0139 557689.4154 13.4300 13.3310 PRESSURE: 1906600 -176.809 -75.0742 -6.46939 -75.0734 254.399 -13.7078 -6.46916 -13.7085 237.145 GPRESSURE: 1906600 -147.964 -142.453 -37.5692 58.1128 307.133 -27.957 -42.2392 -12.2085 263.472 PRESSAVG: 1906600 -31.949 44.5883 16.5739 44.5883 27.5761 29.745 16.5739 29.7448 21.45 GPRESSAVG: 1906600 -31.6979 43.3432 16.0913 42.8762 27.3915 28.8912 17.6912 30.5005 21.9182 TIMING: 1906600 CPU: 5749.78, 0.00301806/step Wall: 5749.78, 0.00301806/step, 2.59335 hours remaining, 208.210938 MB of memory in use. ENERGY: 1906600 715.6101 2121.2293 1920.7112 100.1976 -206415.3198 17949.1123 0.0000 0.0000 34149.5342 -149458.9251 298.2364 -183608.4592 -149362.4069 298.2466 104.9120 140.8803 556847.8013 5.6923 5.8706 PRESSURE: 1906800 -124.528 -16.0257 80.2148 -16.0254 31.7184 -45.9602 80.2145 -45.96 -70.4693 GPRESSURE: 1906800 -100.981 22.5435 142.226 -71.0197 81.262 29.4674 5.18583 -63.6543 -42.62 PRESSAVG: 1906800 -63.8609 -0.38135 -33.8195 -0.381214 62.7057 37.2757 -33.8195 37.2756 -25.2622 GPRESSAVG: 1906800 -62.9271 0.671909 -35.2377 0.0922562 62.2379 38.8102 -35.4055 37.2298 -25.137 TIMING: 1906800 CPU: 5750.39, 0.00304305/step Wall: 5750.39, 0.00304305/step, 2.61466 hours remaining, 208.210938 MB of memory in use. ENERGY: 1906800 794.7300 2091.4646 1932.6056 111.8987 -206664.8950 17863.6147 0.0000 0.0000 34484.0588 -149386.5227 301.1579 -183870.5815 -149292.5942 299.9285 -54.4262 -20.7797 555985.8827 -8.8058 -8.6087 PRESSURE: 1907000 81.1796 139.565 -12.5478 139.566 45.6621 141.672 -12.5486 141.671 -260.578 GPRESSURE: 1907000 163.856 80.7211 87.2856 140.817 22.4851 149.475 -33.6742 152.349 -234.214 PRESSAVG: 1907000 -19.8733 -18.177 13.8477 -18.1771 -24.2905 39.3432 13.8478 39.3432 24.9085 GPRESSAVG: 1907000 -20.4662 -19.2942 15.1568 -17.2023 -23.314 37.3114 13.8552 40.5204 24.2855 TIMING: 1907000 CPU: 5751.01, 0.00306971/step Wall: 5751.01, 0.00306971/step, 2.63739 hours remaining, 208.210938 MB of memory in use. ENERGY: 1907000 743.0771 2116.5476 1920.2346 114.4177 -205979.6651 17604.9720 0.0000 0.0000 34013.2239 -149467.1922 297.0459 -183480.4161 -149370.2149 298.7586 -44.5789 -15.9577 556752.2831 -6.4185 -6.4982 PRESSURE: 1907200 102.454 38.0575 151.798 38.058 -49.5747 114.361 151.799 114.36 -140.999 GPRESSURE: 1907200 163.538 27.7005 50.223 61.7396 32.7349 111.579 94.6428 98.1446 -201.071 PRESSAVG: 1907200 7.48355 -40.7341 30.6216 -40.7342 5.6528 22.1504 30.6216 22.1503 -25.4073 GPRESSAVG: 1907200 5.89089 -40.0347 29.6529 -40.7654 7.6339 21.2964 32.0565 22.5949 -25.1172 TIMING: 1907200 CPU: 5751.62, 0.00305421/step Wall: 5751.62, 0.00305421/step, 2.6239 hours remaining, 208.210938 MB of memory in use. ENERGY: 1907200 721.1437 2125.6441 1940.4431 108.5318 -206699.9466 17828.9776 0.0000 0.0000 34325.4041 -149649.8023 299.7723 -183975.2064 -149549.5541 298.2503 -29.3734 -1.5993 556620.8614 -4.0903 -3.8641 PRESSURE: 1907400 -23.9431 -81.2047 81.7001 -81.2037 -190.397 47.9615 81.6998 47.9629 43.5703 GPRESSURE: 1907400 23.2343 -82.8632 62.3754 -61.3309 -132.911 160.193 94.861 146.201 36.743 PRESSAVG: 1907400 -22.3351 -6.79006 26.7023 -6.79001 64.9359 8.44093 26.7024 8.44099 -26.3331 GPRESSAVG: 1907400 -21.6859 -8.11405 26.8724 -7.33793 63.1986 9.28295 24.1558 9.37646 -25.6199 TIMING: 1907400 CPU: 5752.23, 0.00305986/step Wall: 5752.23, 0.00305986/step, 2.62859 hours remaining, 208.210938 MB of memory in use. ENERGY: 1907400 753.4113 2057.0130 1949.9329 112.6860 -206593.6348 17844.1788 0.0000 0.0000 34263.4487 -149612.9640 299.2312 -183876.4127 -149517.9968 298.5252 -56.9232 -24.3114 557840.5480 5.4226 5.2976 PRESSURE: 1907600 -53.6743 86.8379 -33.8396 86.8371 84.5142 78.4642 -33.8401 78.4633 -13.1487 GPRESSURE: 1907600 20.6933 59.1206 0.337967 147.943 136.683 67.7902 -43.8775 148.03 -37.206 PRESSAVG: 1907600 -30.2393 -13.1875 -6.3924 -13.1873 4.74478 71.6563 -6.39231 71.6563 -16.8332 GPRESSAVG: 1907600 -29.5058 -12.2992 -4.59679 -12.0944 4.87541 71.5792 -5.81282 68.9798 -17.5217 TIMING: 1907600 CPU: 5752.84, 0.00303593/step Wall: 5752.84, 0.00303594/step, 2.60787 hours remaining, 208.210938 MB of memory in use. ENERGY: 1907600 731.4797 2093.8657 1970.5540 107.4488 -206580.9973 17852.4834 0.0000 0.0000 34105.9355 -149719.2302 297.8556 -183825.1657 -149625.8103 298.8418 5.8971 40.0568 557871.1859 -14.1092 -14.0507 PRESSURE: 1907800 94.0982 -90.3913 -115.578 -90.3929 69.0948 -102.204 -115.577 -102.206 -46.6349 GPRESSURE: 1907800 99.7667 -172.461 -156.427 -93.1456 99.2231 -145.458 -88.8931 -92.3678 13.8321 PRESSAVG: 1907800 -32.3968 -15.7544 -17.4575 -15.7542 93.8566 -24.0907 -17.4576 -24.0907 -30.1672 GPRESSAVG: 1907800 -33.1918 -14.9777 -16.6874 -17.9823 94.4464 -22.7524 -17.3683 -22.7265 -29.7348 TIMING: 1907800 CPU: 5753.44, 0.00303219/step Wall: 5753.44, 0.00303219/step, 2.60448 hours remaining, 208.210938 MB of memory in use. ENERGY: 1907800 737.1933 2074.5617 1935.1833 97.3931 -206497.8683 17965.3189 0.0000 0.0000 34211.7975 -149476.4204 298.7801 -183688.2179 -149372.0450 298.0774 38.8527 70.9406 556888.8928 10.4309 10.5066 PRESSURE: 1908000 -332.072 11.7299 -0.417961 11.7306 -171.895 80.3658 -0.418863 80.3657 5.03919 GPRESSURE: 1908000 -304.895 -0.237875 -10.6171 74.5668 -133.331 66.8033 21.8082 74.5373 43.2379 PRESSAVG: 1908000 19.6486 -34.1828 -13.3214 -34.1829 10.9496 -14.1664 -13.3215 -14.1664 -5.73733 GPRESSAVG: 1908000 19.8078 -35.6314 -14.6333 -32.6927 10.9385 -15.7477 -13.6199 -14.635 -6.24728 TIMING: 1908000 CPU: 5754.05, 0.00301431/step Wall: 5754.05, 0.00301431/step, 2.58896 hours remaining, 208.210938 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: 1908000 740.0184 2092.7149 1954.4373 109.4584 -206196.0723 17713.1041 0.0000 0.0000 34129.0754 -149457.2638 298.0577 -183586.3393 -149358.6176 298.5988 -166.3092 -131.6626 557681.4638 8.2870 8.1664 PRESSURE: 1908200 -44.6125 45.7216 33.5461 45.724 -142.02 -73.042 33.5467 -73.0412 86.7592 GPRESSURE: 1908200 8.21971 16.9447 63.3284 71.5028 -142.071 -49.8788 18.3438 5.71796 119.652 PRESSAVG: 1908200 17.0529 17.7446 8.54355 17.7445 31.4855 -17.2064 8.54352 -17.2065 -35.3786 GPRESSAVG: 1908200 17.3692 18.7731 9.36622 17.5294 29.9334 -15.7914 10.4865 -17.8037 -33.6536 TIMING: 1908200 CPU: 5754.65, 0.00299706/step Wall: 5754.65, 0.00299706/step, 2.57397 hours remaining, 208.210938 MB of memory in use. ENERGY: 1908200 766.8614 2110.5327 1929.0845 100.6523 -206161.2664 17796.7031 0.0000 0.0000 34183.3260 -149274.1064 298.5315 -183457.4324 -149188.2350 298.6071 -33.2910 -4.7330 557231.6933 4.3866 4.5497 LDB: ============= START OF LOAD BALANCING ============== 5758.16 LDB: ============== END OF LOAD BALANCING =============== 5758.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5758.16 LDB: ============= START OF LOAD BALANCING ============== 5758.46 LDB: Largest compute 4800 load 0.029864 is 25.3% of average load 0.118063 LDB: Average compute 0.001729 is 1.5% of average load 0.118063 LDB: TIME 5758.46 LOAD: AVG 0.118063 MAX 0.208159 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.43 MB LDB: TIME 5758.46 LOAD: AVG 0.118063 MAX 0.208159 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.633 MB LDB: TIME 5758.46 LOAD: AVG 0.118063 MAX 0.208159 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.633 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5758.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5758.47 PRESSURE: 1908400 -151.426 -132.696 -2.39528 -132.697 -208.207 94.3205 -2.3945 94.3205 -138.708 GPRESSURE: 1908400 -137.136 -97.3202 -5.05591 -174.994 -174.775 72.0294 -7.84074 191.055 -86.9788 PRESSAVG: 1908400 -2.10082 -25.4209 45.7765 -25.421 15.904 -43.4698 45.7766 -43.4697 -29.4293 GPRESSAVG: 1908400 -1.84628 -27.0662 45.8269 -25.0808 17.1001 -43.8086 46.4309 -42.2964 -30.518 TIMING: 1908400 CPU: 5755.25, 0.00303868/step Wall: 5755.25, 0.00303868/step, 2.60955 hours remaining, 208.781250 MB of memory in use. ENERGY: 1908400 759.6019 2061.2854 1954.0280 106.3706 -206150.0769 17648.5942 0.0000 0.0000 34252.2269 -149367.9699 299.1332 -183620.1968 -149268.5765 299.1857 -166.1138 -132.9630 558223.9527 -5.2087 -5.0880 PRESSURE: 1908600 18.1601 -292.923 92.4105 -292.924 182.832 -135.457 92.4104 -135.457 294.632 GPRESSURE: 1908600 48.7036 -273.471 101.953 -285.192 211.727 -143.19 86.2363 -94.2607 322.732 PRESSAVG: 1908600 16.1155 -22.6395 1.22087 -22.6396 -33.7116 10.5842 1.22081 10.584 -24.5002 GPRESSAVG: 1908600 15.3105 -19.622 0.400654 -23.4768 -34.0805 9.58079 -1.00398 9.64904 -23.6369 TIMING: 1908600 CPU: 5755.85, 0.00299021/step Wall: 5755.85, 0.00299021/step, 2.56776 hours remaining, 208.984375 MB of memory in use. ENERGY: 1908600 728.5882 2088.4903 1923.4263 107.7034 -206553.9681 18019.2317 0.0000 0.0000 34416.9024 -149269.6258 300.5714 -183686.5282 -149172.2871 299.0962 165.2081 194.3877 556241.4851 -14.0321 -14.1356 PRESSURE: 1908800 -246.336 46.6398 109.294 46.6414 -85.9973 -134.931 109.295 -134.931 -34.0207 GPRESSURE: 1908800 -217.084 -11.6989 159.692 7.79428 -77.8999 -141.779 159.779 -59.0028 33.8759 PRESSAVG: 1908800 36.4995 -16.992 -37.2505 -16.9919 -17.6677 9.35606 -37.2503 9.35599 26.3067 GPRESSAVG: 1908800 38.0643 -19.422 -38.5652 -16.2275 -18.006 8.85504 -37.1029 9.51211 25.284 TIMING: 1908800 CPU: 5756.45, 0.00300288/step Wall: 5756.45, 0.00300288/step, 2.57848 hours remaining, 208.984375 MB of memory in use. ENERGY: 1908800 753.2220 2027.4752 1945.9083 107.4564 -205893.7980 17641.1020 0.0000 0.0000 34191.0076 -149227.6266 298.5986 -183418.6341 -149133.8007 299.0400 -122.1178 -87.0360 558178.9501 15.0462 15.1141 PRESSURE: 1909000 49.593 248.277 -166.204 248.277 -353.04 23.1119 -166.205 23.1139 222.438 GPRESSURE: 1909000 157.734 261.005 -156.22 267.628 -276.095 30.0613 -190.874 38.2659 143.858 PRESSAVG: 1909000 35.5847 -21.7021 -8.27301 -21.7021 -79.1111 16.9828 -8.27299 16.9827 8.4535 GPRESSAVG: 1909000 35.0624 -21.4064 -8.73439 -23.4459 -78.9413 16.5273 -7.32291 18.0576 9.16249 TIMING: 1909000 CPU: 5757.06, 0.00302753/step Wall: 5757.06, 0.00302753/step, 2.59947 hours remaining, 208.984375 MB of memory in use. ENERGY: 1909000 750.4991 2088.4072 1920.3119 117.7133 -206409.4945 17846.8415 0.0000 0.0000 34595.8187 -149089.9029 302.1339 -183685.7215 -148991.2044 299.6397 -27.0029 8.4990 556131.0022 -11.6910 -11.5721 PRESSURE: 1909200 -262.629 -30.989 185.802 -30.9884 -399.955 82.5637 185.803 82.5638 -240.396 GPRESSURE: 1909200 -253.127 -57.2 177.04 9.50103 -376.361 87.8008 216.781 62.435 -175.574 PRESSAVG: 1909200 25.2071 35.4856 -29.0677 35.4857 -82.2635 13.5207 -29.0676 13.5208 33.8557 GPRESSAVG: 1909200 25.3329 36.9736 -29.1866 38.1779 -81.5391 14.4119 -28.3626 9.73097 33.1488 TIMING: 1909200 CPU: 5757.67, 0.00304835/step Wall: 5757.67, 0.00304835/step, 2.61718 hours remaining, 208.984375 MB of memory in use. ENERGY: 1909200 789.3062 2090.0092 1908.6073 107.9909 -205779.4281 17594.0913 0.0000 0.0000 34139.5370 -149149.8862 298.1491 -183289.4232 -149050.2454 299.5905 -300.9935 -268.3540 559664.2989 -7.7336 -7.6858 PRESSURE: 1909400 -233.824 60.8949 40.612 60.8935 20.5637 -1.34337 40.613 -1.34192 -65.5093 GPRESSURE: 1909400 -172.233 -6.62655 80.4064 86.4937 -12.0938 32.4176 -34.67 -53.2414 -2.34527 PRESSAVG: 1909400 -70.0033 -5.46774 -10.1976 -5.46787 -19.6422 53.9323 -10.1976 53.9323 81.7003 GPRESSAVG: 1909400 -70.0975 -8.83913 -10.1713 -6.47263 -18.9681 53.5206 -11.4532 56.0825 81.1976 TIMING: 1909400 CPU: 5758.28, 0.00304278/step Wall: 5758.28, 0.00304278/step, 2.61222 hours remaining, 208.984375 MB of memory in use. ENERGY: 1909400 784.0613 2093.3199 1908.0690 121.2935 -206289.8590 17694.2505 0.0000 0.0000 34309.4798 -149379.3850 299.6332 -183688.8648 -149288.2319 299.1686 -92.9231 -62.2239 557649.5288 -2.6484 -2.6227 PRESSURE: 1909600 -94.631 88.2047 -17.7438 88.2053 -7.00381 -35.2846 -17.7439 -35.2829 103.703 GPRESSURE: 1909600 -84.1387 117.21 17.062 28.0998 13.2053 -25.8738 -50.6714 3.18398 165.879 PRESSAVG: 1909600 -39.3565 -0.427015 -40.8835 -0.426971 19.2181 -16.9948 -40.8836 -16.9948 34.7392 GPRESSAVG: 1909600 -37.872 1.23571 -39.8975 0.478057 18.27 -17.2277 -40.2304 -15.7419 34.1807 TIMING: 1909600 CPU: 5758.88, 0.00300267/step Wall: 5758.88, 0.00300267/step, 2.57763 hours remaining, 208.984375 MB of memory in use. ENERGY: 1909600 720.4202 2076.2643 1933.7746 130.5654 -206411.4662 17996.2684 0.0000 0.0000 34151.3097 -149402.8635 298.2519 -183554.1732 -149305.9684 298.4906 0.6894 31.6484 557780.1658 4.8669 4.8596 PRESSURE: 1909800 -214.32 188.882 93.6637 188.882 -112.69 90.9025 93.6619 90.9018 -102.37 GPRESSURE: 1909800 -187.453 177.135 229.166 155.935 -127.78 102.385 70.4474 93.9338 -27.3431 PRESSAVG: 1909800 -18.6354 52.156 9.84164 52.1561 24.9188 16.7798 9.84164 16.7798 29.734 GPRESSAVG: 1909800 -19.7472 51.456 11.8541 51.2257 25.4372 15.155 9.95248 15.6744 30.1488 TIMING: 1909800 CPU: 5759.48, 0.00302606/step Wall: 5759.48, 0.00302606/step, 2.59753 hours remaining, 208.984375 MB of memory in use. ENERGY: 1909800 732.6490 2057.9527 1947.3811 114.6280 -206350.5871 17746.1218 0.0000 0.0000 34167.8911 -149583.9634 298.3967 -183751.8545 -149494.9517 298.2594 -143.1265 -114.1921 557125.0543 12.0058 11.9463 PRESSURE: 1910000 59.1059 -200.086 -11.0588 -200.087 -37.6516 104.124 -11.0591 104.124 104.13 GPRESSURE: 1910000 96.1268 -203.325 20.6309 -206.17 10.8377 36.2207 -61.5106 177.938 116.183 PRESSAVG: 1910000 -7.99284 -4.69234 33.2609 -4.69241 25.3299 62.7778 33.2608 62.7778 -19.4932 GPRESSAVG: 1910000 -8.3955 -3.92817 30.9271 -4.28411 23.808 61.9372 33.8609 62.0334 -17.9639 TIMING: 1910000 CPU: 5760.08, 0.00299906/step Wall: 5760.08, 0.00299906/step, 2.5742 hours remaining, 208.984375 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: 1910000 732.8701 2072.7360 1920.6202 109.1563 -206602.2117 18039.0487 0.0000 0.0000 34078.6836 -149649.0967 297.6176 -183727.7803 -149548.2984 298.4614 41.8615 74.3826 557717.8800 -0.7187 -0.8504 PRESSURE: 1910200 191.223 -46.7456 117.113 -46.7451 -58.7034 -167.941 117.111 -167.939 78.8543 GPRESSURE: 1910200 152.975 7.78499 67.9901 -78.211 2.20393 -132.486 88.8178 -150.777 142.899 PRESSAVG: 1910200 -52.8973 -1.49905 33.206 -1.49909 24.9507 15.4814 33.2059 15.4814 26.9367 GPRESSAVG: 1910200 -53.1758 -0.658464 33.784 -1.8549 25.4469 18.7612 32.7629 12.7643 26.5456 TIMING: 1910200 CPU: 5760.68, 0.00301852/step Wall: 5760.68, 0.00301852/step, 2.59073 hours remaining, 208.984375 MB of memory in use. ENERGY: 1910200 781.9076 2084.1747 1927.2791 107.4205 -206865.0803 18099.0618 0.0000 0.0000 34105.9290 -149759.3076 297.8556 -183865.2366 -149669.7423 297.4655 70.4581 99.3594 555924.6620 -0.3366 -0.3944 PRESSURE: 1910400 -328.126 142.653 128.663 142.653 -147.16 184.022 128.661 184.023 -120.368 GPRESSURE: 1910400 -275.173 94.5737 98.5895 158.073 -163.655 166.739 106.393 179.228 -65.9939 PRESSAVG: 1910400 12.1394 18.731 -6.28952 18.7311 -25.6542 3.31282 -6.28955 3.3129 7.30131 GPRESSAVG: 1910400 12.6081 18.6542 -6.10951 18.1799 -25.5399 1.85928 -6.78546 5.37664 6.61213 TIMING: 1910400 CPU: 5761.29, 0.00302881/step Wall: 5761.29, 0.00302881/step, 2.5994 hours remaining, 208.984375 MB of memory in use. ENERGY: 1910400 731.1975 2069.1467 1950.6893 113.2058 -205995.2442 17544.2716 0.0000 0.0000 33828.8642 -149757.8693 295.4359 -183586.7335 -149663.8734 297.3552 -198.5514 -168.2737 557714.5954 -2.0711 -2.1066 PRESSURE: 1910600 -16.8323 43.4813 -28.2994 43.4817 -45.3107 -38.1011 -28.2995 -38.1002 -116.047 GPRESSURE: 1910600 -34.1372 15.7032 -67.871 23.1751 -3.18859 -80.7866 3.76314 10.2714 -56.7958 PRESSAVG: 1910600 11.8689 1.28633 -24.8649 1.28635 -48.3198 78.2852 -24.8648 78.2853 50.6086 GPRESSAVG: 1910600 10.1559 -1.2883 -24.6389 3.53863 -47.4374 77.6896 -23.4743 79.0224 51.1623 TIMING: 1910600 CPU: 5761.9, 0.00303045/step Wall: 5761.9, 0.00303045/step, 2.60063 hours remaining, 208.984375 MB of memory in use. ENERGY: 1910600 753.1299 2094.9257 1922.6590 105.3467 -206302.5496 17615.9628 0.0000 0.0000 34089.8359 -149720.6896 297.7150 -183810.5255 -149625.5321 297.9182 -59.3965 -31.3738 557146.5683 4.7192 4.6269 PRESSURE: 1910800 -217.865 67.3658 -85.2089 67.3663 -141.824 -133.581 -85.2092 -133.583 -83.3387 GPRESSURE: 1910800 -132.88 60.6932 -55.6682 -54.3459 -66.8457 -96.6722 -52.5998 -108.826 -130.516 PRESSAVG: 1910800 -26.9511 -31.2845 30.2472 -31.2845 50.6349 -34.4478 30.2473 -34.4476 19.2152 GPRESSAVG: 1910800 -26.4424 -29.5459 29.6182 -33.4031 50.6677 -34.8297 28.1111 -34.0913 18.3789 TIMING: 1910800 CPU: 5762.49, 0.00298324/step Wall: 5762.49, 0.00298324/step, 2.55995 hours remaining, 208.984375 MB of memory in use. ENERGY: 1910800 732.6978 2110.7446 1941.1693 108.9349 -206131.6767 17547.1524 0.0000 0.0000 34044.2595 -149646.7183 297.3170 -183690.9778 -149545.2314 297.6253 -147.6758 -110.0808 556504.4540 14.2997 14.2014 PRESSURE: 1911000 204.302 -223.406 88.9258 -223.408 225.537 -9.2429 88.9254 -9.24384 62.6276 GPRESSURE: 1911000 291.445 -271.496 101.451 -202.161 244.461 31.8426 116.41 -28.0945 56.5916 PRESSAVG: 1911000 -31.393 0.211499 36.534 0.211439 103.756 8.71458 36.534 8.71462 -48.6581 GPRESSAVG: 1911000 -31.6705 0.00862049 36.4064 -0.635729 103.189 9.06656 38.2809 7.32007 -48.5901 TIMING: 1911000 CPU: 5763.09, 0.00298697/step Wall: 5763.09, 0.00298697/step, 2.56299 hours remaining, 208.984375 MB of memory in use. ENERGY: 1911000 725.4003 2077.7393 1925.3521 99.6335 -206746.7085 17984.0498 0.0000 0.0000 34414.1855 -149520.3480 300.5476 -183934.5335 -149422.9968 298.1434 164.1556 197.4990 555372.4557 7.9017 7.6427 PRESSURE: 1911200 -27.9587 -243.043 -93.0333 -243.043 51.4725 42.7599 -93.0337 42.7614 -330.067 GPRESSURE: 1911200 8.34515 -275.341 -161.636 -230.661 83.1292 81.5134 -74.0763 -10.7044 -284.325 PRESSAVG: 1911200 -15.2762 -67.3984 50.3047 -67.3984 49.7424 -5.90347 50.3047 -5.90359 -35.2525 GPRESSAVG: 1911200 -15.4791 -67.6849 49.7632 -65.6669 50.577 -4.22572 50.6629 -5.57943 -35.5949 TIMING: 1911200 CPU: 5763.69, 0.00298821/step Wall: 5763.69, 0.00298821/step, 2.56389 hours remaining, 208.984375 MB of memory in use. ENERGY: 1911200 698.9708 2060.8785 1952.1912 107.9904 -206127.4403 17666.9473 0.0000 0.0000 34159.2400 -149481.2222 298.3211 -183640.4622 -149390.1213 298.6014 -102.1845 -64.2834 557402.0082 -0.2621 -0.1656 PRESSURE: 1911400 234.834 -85.4046 -90.4976 -85.4064 -20.7444 19.2011 -90.4966 19.2 -170.782 GPRESSURE: 1911400 312.657 -72.7911 -150.184 -38.4603 -31.7786 100.645 -102.814 -25.6988 -135.297 PRESSAVG: 1911400 29.7959 -31.4522 -12.5455 -31.4522 34.8521 -14.5729 -12.5455 -14.573 -66.7041 GPRESSAVG: 1911400 30.4732 -30.7382 -11.5307 -31.875 34.0108 -15.7012 -14.7735 -13.466 -65.9063 TIMING: 1911400 CPU: 5764.28, 0.00296746/step Wall: 5764.28, 0.00296746/step, 2.54592 hours remaining, 208.984375 MB of memory in use. ENERGY: 1911400 711.9504 2022.6761 1933.2952 104.9365 -206431.6948 17833.8787 0.0000 0.0000 34271.1592 -149553.7987 299.2986 -183824.9579 -149463.5675 297.9910 14.4361 48.5270 556365.0346 -0.6854 -0.4741 PRESSURE: 1911600 151.487 39.2464 249.441 39.247 38.6339 141.281 249.442 141.281 -130.358 GPRESSURE: 1911600 153.441 61.692 301.736 113.215 70.6355 132.849 204.201 129.87 -66.7003 PRESSAVG: 1911600 38.4501 51.0596 -8.76285 51.0596 -25.7119 13.9201 -8.76283 13.9201 -41.9009 GPRESSAVG: 1911600 38.7644 51.8719 -9.65052 50.8577 -25.8686 14.7232 -8.34112 12.0592 -41.5071 TIMING: 1911600 CPU: 5764.88, 0.00300876/step Wall: 5764.88, 0.00300876/step, 2.58118 hours remaining, 208.984375 MB of memory in use. ENERGY: 1911600 736.1276 2091.8386 1954.7482 118.0503 -206831.3831 17971.5333 0.0000 0.0000 34301.8564 -149657.2287 299.5666 -183959.0851 -149556.5617 298.4279 19.9211 52.4587 557084.3207 -9.7209 -9.5371 PRESSURE: 1911800 110.025 -87.6333 172.963 -87.6343 55.392 162.962 172.963 162.961 60.3471 GPRESSURE: 1911800 123.945 -20.0107 131.033 -155.796 72.5606 113.685 175.154 258.916 119.885 PRESSAVG: 1911800 -42.4918 11.8809 -17.3711 11.8809 10.0857 5.74483 -17.3711 5.74482 18.5124 GPRESSAVG: 1911800 -42.6477 11.532 -17.3361 12.3623 11.158 4.13127 -14.6909 8.3787 17.3274 TIMING: 1911800 CPU: 5765.49, 0.00303342/step Wall: 5765.49, 0.00303342/step, 2.60217 hours remaining, 208.984375 MB of memory in use. ENERGY: 1911800 748.7414 2083.3848 1956.3979 112.0826 -206928.4854 18113.6278 0.0000 0.0000 34218.1976 -149696.0532 298.8360 -183914.2508 -149602.8706 298.3222 75.2547 105.4633 556225.4154 -4.6313 -4.7208 PRESSURE: 1912000 12.1513 7.57941 -46.5825 7.57867 31.7216 81.0297 -46.5835 81.0299 -156.983 GPRESSURE: 1912000 12.6256 96.5395 -87.2855 -99.913 37.6129 107.278 12.4741 58.7945 -80.3825 PRESSAVG: 1912000 -77.7616 -27.3314 12.8141 -27.3314 92.6785 27.662 12.8142 27.662 -46.0164 GPRESSAVG: 1912000 -77.41 -25.9091 14.3843 -27.5492 90.6935 27.6103 10.6482 27.827 -44.2037 TIMING: 1912000 CPU: 5766.1, 0.00302519/step Wall: 5766.1, 0.00302519/step, 2.59494 hours remaining, 208.984375 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: 1912000 771.1428 2068.5855 1947.1311 112.3644 -206566.3707 17851.1489 0.0000 0.0000 34071.2681 -149744.7299 297.5529 -183815.9979 -149646.0987 297.5436 -37.7033 -10.0480 556512.5347 -10.3665 -10.3067 PRESSURE: 1912200 156.143 78.1652 88.0877 78.1648 357.403 94.1264 88.0879 94.1273 61.2266 GPRESSURE: 1912200 187.396 71.258 102.049 9.51904 377.241 46.3563 95.8025 89.8673 105.619 PRESSAVG: 1912200 -40.0168 31.1474 33.4611 31.1475 77.7619 52.661 33.4611 52.6612 -20.2175 GPRESSAVG: 1912200 -39.5062 27.4601 33.8223 31.9683 78.2589 54.8071 32.0866 51.2869 -20.9518 TIMING: 1912200 CPU: 5766.7, 0.00301043/step Wall: 5766.7, 0.00301043/step, 2.58211 hours remaining, 208.984375 MB of memory in use. ENERGY: 1912200 736.4274 2074.3933 1932.2467 126.7518 -206673.6415 17944.7215 0.0000 0.0000 34164.0154 -149695.0854 298.3628 -183859.1007 -149603.8937 297.4593 191.5909 223.4186 555846.7610 5.8425 5.9336 LDB: ============= START OF LOAD BALANCING ============== 5770.21 LDB: ============== END OF LOAD BALANCING =============== 5770.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5770.22 LDB: ============= START OF LOAD BALANCING ============== 5770.52 LDB: Largest compute 4800 load 0.029500 is 25.0% of average load 0.118102 LDB: Average compute 0.001723 is 1.5% of average load 0.118102 LDB: TIME 5770.52 LOAD: AVG 0.118102 MAX 0.21073 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.973 MB LDB: TIME 5770.52 LOAD: AVG 0.118102 MAX 0.21073 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.973 MB LDB: TIME 5770.52 LOAD: AVG 0.118102 MAX 0.21073 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.973 MB LDB: ============== END OF LOAD BALANCING =============== 5770.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5770.52 PRESSURE: 1912400 -114.892 -105.555 -77.6676 -105.554 3.92284 54.3584 -77.6696 54.3573 -128.404 GPRESSURE: 1912400 -39.7299 -93.7173 -94.4414 -116.683 25.7677 132.508 -99.7777 -29.071 -124.84 PRESSAVG: 1912400 32.1641 -27.6661 18.6174 -27.6661 -4.74275 28.2539 18.6173 28.2539 -19.7039 GPRESSAVG: 1912400 32.4341 -27.0515 18.0321 -27.2358 -4.72101 26.0681 21.1975 29.9178 -19.3931 TIMING: 1912400 CPU: 5767.31, 0.00305444/step Wall: 5767.31, 0.00305444/step, 2.61969 hours remaining, 209.660156 MB of memory in use. ENERGY: 1912400 728.6554 2100.1906 1950.1279 124.6045 -206353.6162 17747.5071 0.0000 0.0000 33993.3005 -149709.2302 296.8719 -183702.5307 -149613.5054 297.9285 -79.7909 -46.2673 555969.1663 2.5725 2.7734 PRESSURE: 1912600 -172.279 111.94 -53.8422 111.94 -95.5653 104.085 -53.8424 104.086 -35.1018 GPRESSURE: 1912600 -84.2842 109.006 -13.6125 52.7086 -86.8607 51.2371 -29.5687 107.016 -45.4043 PRESSAVG: 1912600 60.7113 23.6618 -47.9933 23.6618 -52.1955 -5.40177 -47.9933 -5.40171 -46.312 GPRESSAVG: 1912600 60.9142 24.7924 -47.8564 23.4066 -51.8476 -5.36537 -48.951 -8.37898 -46.1907 TIMING: 1912600 CPU: 5767.91, 0.00300648/step Wall: 5767.91, 0.00300648/step, 2.57839 hours remaining, 209.863281 MB of memory in use. ENERGY: 1912600 735.4235 2083.6483 1940.3419 108.2150 -206084.3631 17545.5804 0.0000 0.0000 33963.9831 -149707.1710 296.6159 -183671.1540 -149616.8035 297.9392 -100.9821 -72.1831 557052.8489 -12.5987 -12.3747 PRESSURE: 1912800 16.6597 86.7176 92.8879 86.717 -17.5733 -68.5081 92.89 -68.5083 -134.186 GPRESSURE: 1912800 -24.4289 178.071 20.5051 58.5742 30.1779 -20.9495 146.596 -86.5777 -28.6836 PRESSAVG: 1912800 -3.11874 73.6084 -23.0673 73.6085 43.1435 42.4504 -23.0673 42.4505 -65.9711 GPRESSAVG: 1912800 -4.16646 71.769 -24.3665 74.0289 44.3884 43.3031 -23.6 43.3848 -65.8891 TIMING: 1912800 CPU: 5768.52, 0.003035/step Wall: 5768.52, 0.003035/step, 2.60268 hours remaining, 209.863281 MB of memory in use. ENERGY: 1912800 767.9554 2068.2680 1949.5037 116.8550 -206496.4197 17796.2906 0.0000 0.0000 34089.0216 -149708.5253 297.7079 -183797.5469 -149621.8216 298.0590 -45.0332 -7.6449 555281.7824 -8.6488 -8.5557 PRESSURE: 1913000 -55.8983 41.5078 -177.679 41.5086 -89.9793 7.03704 -177.678 7.03737 -46.9458 GPRESSURE: 1913000 -23.1551 166.697 -224.349 -36.1609 -42.7354 -54.6765 -158.425 33.9297 -40.9057 PRESSAVG: 1913000 19.7244 45.42 -33.7546 45.42 30.5098 -23.2075 -33.7547 -23.2074 -44.2258 GPRESSAVG: 1913000 20.2595 45.7186 -31.6624 43.4729 29.167 -24.4297 -34.0907 -22.9365 -43.5481 TIMING: 1913000 CPU: 5769.13, 0.0030434/step Wall: 5769.13, 0.0030434/step, 2.60971 hours remaining, 209.863281 MB of memory in use. ENERGY: 1913000 713.6124 2060.0395 1924.5145 106.9629 -205982.1825 17597.7883 0.0000 0.0000 34013.6587 -149565.6061 297.0497 -183579.2648 -149471.4056 297.9063 -64.2744 -35.5987 556778.2124 2.0028 1.9595 PRESSURE: 1913200 33.3252 182.413 -41.3092 182.411 -96.9076 -33.3156 -41.3087 -33.3144 125.965 GPRESSURE: 1913200 78.3101 190.589 -63.3812 209.579 -70.1569 -35.4631 -25.6485 -8.24245 146.923 PRESSAVG: 1913200 2.07171 -9.92589 -37.8072 -9.92585 -26.6243 17.1065 -37.8072 17.1066 -0.356474 GPRESSAVG: 1913200 2.53866 -8.2463 -39.1517 -8.39672 -27.1439 19.1662 -37.2874 15.7387 -0.833343 TIMING: 1913200 CPU: 5769.73, 0.00301272/step Wall: 5769.73, 0.00301272/step, 2.58324 hours remaining, 209.949219 MB of memory in use. ENERGY: 1913200 720.3266 2100.1045 1917.9583 112.5971 -206255.7969 17750.0206 0.0000 0.0000 34123.3214 -149531.4685 298.0075 -183654.7899 -149433.3144 298.4355 20.7943 51.6921 557612.3116 -8.3030 -8.4795 PRESSURE: 1913400 -279.58 199.495 -22.0727 199.495 -281.167 32.2159 -22.0727 32.2146 25.5631 GPRESSURE: 1913400 -180.837 150.567 -11.319 280.089 -253.169 -42.4945 -0.250895 91.6299 -3.56243 PRESSAVG: 1913400 -29.9189 25.2763 -65.7549 25.2763 -63.4216 43.9558 -65.7549 43.9557 54.9657 GPRESSAVG: 1913400 -30.3919 24.1379 -65.0613 26.1784 -62.5212 42.2047 -66.4705 43.158 55.0636 TIMING: 1913400 CPU: 5770.33, 0.00302187/step Wall: 5770.33, 0.00302187/step, 2.59092 hours remaining, 209.949219 MB of memory in use. ENERGY: 1913400 776.6873 2120.8373 1961.0411 105.8617 -206070.7624 17573.7232 0.0000 0.0000 34084.9543 -149447.6574 297.6724 -183532.6117 -149346.9751 298.8246 -178.3946 -145.8561 558223.2734 -12.7916 -12.6165 PRESSURE: 1913600 198.353 172.055 -108.025 172.055 158.39 78.7377 -108.024 78.7393 62.5547 GPRESSURE: 1913600 161.965 183.993 -50.131 80.2285 264.489 13.3433 -127.939 120.01 94.8155 PRESSAVG: 1913600 -0.858433 29.1859 -12.6562 29.1858 -60.0304 -10.2414 -12.6562 -10.2413 19.1584 GPRESSAVG: 1913600 -0.0789584 31.3201 -14.1414 25.9789 -60.4831 -10.1712 -11.8277 -8.85255 18.9123 TIMING: 1913600 CPU: 5770.94, 0.00303867/step Wall: 5770.94, 0.00303867/step, 2.60515 hours remaining, 210.152344 MB of memory in use. ENERGY: 1913600 735.6375 2081.2577 1935.8341 104.8832 -206212.9740 17977.2918 0.0000 0.0000 33916.0779 -149461.9918 296.1975 -183378.0697 -149373.3873 298.6784 139.7659 173.7567 558044.7757 -13.9101 -13.8833 PRESSURE: 1913800 77.1208 38.4368 36.5418 38.4365 117.744 -19.7091 36.5405 -19.7085 66.1022 GPRESSURE: 1913800 168.125 77.4499 -11.0037 35.7435 133.406 -33.1067 97.4116 20.8965 57.8774 PRESSAVG: 1913800 -27.5213 -24.6893 -123.086 -24.6894 -7.99685 14.5276 -123.086 14.5276 11.3937 GPRESSAVG: 1913800 -28.4411 -26.2683 -123.73 -23.277 -7.94293 15.6074 -122.688 15.1519 12.3827 TIMING: 1913800 CPU: 5771.54, 0.00300651/step Wall: 5771.54, 0.00300651/step, 2.57742 hours remaining, 210.152344 MB of memory in use. ENERGY: 1913800 735.3252 2057.0093 1948.6491 106.7278 -206578.6776 18010.6730 0.0000 0.0000 34398.3375 -149321.9555 300.4092 -183720.2930 -149217.7404 299.1679 86.9888 119.8028 556921.8844 -8.0415 -8.0004 PRESSURE: 1914000 -77.5468 7.84592 -54.6246 7.84498 72.6234 -48.3496 -54.625 -48.3493 32.726 GPRESSURE: 1914000 -83.0231 -54.1539 15.9674 -22.2935 119.275 10.5352 -131.805 -78.549 86.9698 PRESSAVG: 1914000 1.6288 40.0833 -38.5778 40.0832 12.6815 36.9756 -38.5777 36.9755 11.0082 GPRESSAVG: 1914000 1.42394 41.3364 -38.1308 40.1561 13.8312 35.1385 -39.382 37.3594 9.80198 TIMING: 1914000 CPU: 5772.14, 0.00301824/step Wall: 5772.14, 0.00301824/step, 2.5873 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: 1914000 749.7776 2098.8385 1939.2454 114.6524 -206308.6262 17819.4087 0.0000 0.0000 34467.8377 -149118.8659 301.0162 -183586.7036 -149026.4441 300.3992 9.2675 41.0739 557236.7069 8.4395 8.3524 PRESSURE: 1914200 156.168 -72.8049 -20.1601 -72.8058 -147.867 91.7386 -20.1581 91.7374 -29.8313 GPRESSURE: 1914200 242.916 -19.2822 68.7591 -44.0163 -124.537 47.3256 -49.2543 117.926 -39.9151 PRESSAVG: 1914200 33.2825 50.2463 -38.9296 50.2463 -30.8877 -26.2546 -38.9296 -26.2546 26.6135 GPRESSAVG: 1914200 33.351 50.0941 -37.5271 50.2063 -31.3245 -23.0628 -41.0047 -29.103 27.4072 TIMING: 1914200 CPU: 5772.75, 0.00301105/step Wall: 5772.75, 0.00301105/step, 2.58098 hours remaining, 210.152344 MB of memory in use. ENERGY: 1914200 749.1586 2053.7982 1947.0721 109.0286 -206220.5632 17775.1897 0.0000 0.0000 34328.8861 -149257.4297 299.8027 -183586.3159 -149165.1122 299.1861 -7.1767 26.1545 556743.7588 9.6694 9.8112 PRESSURE: 1914400 13.4152 41.6968 49.6326 41.6959 -258.236 -14.0016 49.6334 -14.0017 270.318 GPRESSURE: 1914400 17.9371 -45.7421 62.9906 147.674 -188.008 -58.2894 12.7743 75.0787 292.598 PRESSAVG: 1914400 -32.0418 12.1455 -10.0158 12.1454 37.5815 -27.0463 -10.0157 -27.0464 -42.1413 GPRESSAVG: 1914400 -31.4578 12.1621 -9.56541 12.5594 36.0343 -27.464 -9.91631 -24.0123 -41.0094 TIMING: 1914400 CPU: 5773.35, 0.00301386/step Wall: 5773.35, 0.00301386/step, 2.58322 hours remaining, 210.152344 MB of memory in use. ENERGY: 1914400 780.3325 2139.0645 1962.8474 120.3406 -206682.6714 18060.1067 0.0000 0.0000 34227.5154 -149392.4643 298.9174 -183619.9797 -149302.1064 299.0166 8.4991 40.8425 557253.2077 -12.2005 -12.1443 PRESSURE: 1914600 232.271 -195.424 -21.7902 -195.424 -130.804 -189.506 -21.7896 -189.508 -13.105 GPRESSURE: 1914600 272.164 -220.871 -21.0665 -206.675 -100.113 -131.548 -27.5258 -237.516 10.5553 PRESSAVG: 1914600 36.7318 5.79056 1.3601 5.79059 19.8565 -25.4974 1.36021 -25.4974 -17.515 GPRESSAVG: 1914600 35.4818 6.09493 0.420232 6.38546 21.6858 -26.755 2.36155 -25.4147 -18.0297 TIMING: 1914600 CPU: 5773.95, 0.0030165/step Wall: 5773.95, 0.0030165/step, 2.58531 hours remaining, 210.152344 MB of memory in use. ENERGY: 1914600 737.6262 2080.6439 1919.8616 101.4964 -206083.3879 17629.3902 0.0000 0.0000 34226.8935 -149387.4761 298.9120 -183614.3696 -149294.6198 299.1961 29.4541 60.8688 557043.2516 13.0244 13.0460 PRESSURE: 1914800 -161.264 54.5071 154.965 54.5074 10.0628 -38.7385 154.966 -38.7371 -120.481 GPRESSURE: 1914800 -72.6917 50.3814 130.58 68.6369 5.98274 -43.4168 47.7974 20.8636 -108.263 PRESSAVG: 1914800 33.139 1.19198 29.2175 1.19196 42.7414 13.7013 29.2175 13.7013 -45.4616 GPRESSAVG: 1914800 34.331 -1.76179 29.4458 2.95498 41.6223 16.9981 30.2011 12.4921 -45.184 TIMING: 1914800 CPU: 5774.56, 0.00301445/step Wall: 5774.56, 0.00301445/step, 2.58338 hours remaining, 210.152344 MB of memory in use. ENERGY: 1914800 695.3536 2096.9447 1928.6748 122.6689 -206070.5442 17703.9501 0.0000 0.0000 34345.0067 -149177.9453 299.9435 -183522.9520 -149080.5079 299.0663 -90.5609 -58.3241 558513.9654 10.1396 10.2564 PRESSURE: 1915000 -94.435 -22.7157 -93.3047 -22.7155 269.349 -111.716 -93.3061 -111.716 -54.4913 GPRESSURE: 1915000 -85.4115 60.7662 -88.8652 -15.0681 273.646 -76.8981 -64.1885 -133.292 24.544 PRESSAVG: 1915000 -2.35008 0.0204691 -3.04567 0.0203791 108.275 -10.7982 -3.0457 -10.7984 -63.5001 GPRESSAVG: 1915000 -3.97147 2.45159 -3.4576 -2.84105 109.763 -14.6254 -3.54289 -11.7155 -63.1345 TIMING: 1915000 CPU: 5775.16, 0.00301133/step Wall: 5775.16, 0.00301133/step, 2.58054 hours remaining, 210.152344 MB of memory in use. ENERGY: 1915000 750.4114 2129.3581 1962.3361 92.0373 -206208.6565 17778.4749 0.0000 0.0000 34204.2699 -149291.7688 298.7144 -183496.0387 -149198.3032 299.5507 40.1409 70.9263 556164.6870 14.1414 14.2190 PRESSURE: 1915200 -101.672 5.80905 86.5472 5.80982 -185.032 82.2927 86.55 82.2948 -373.697 GPRESSURE: 1915200 -120.568 -48.6123 132.225 48.9048 -180.312 2.60805 23.6305 151.788 -262.912 PRESSAVG: 1915200 40.4111 51.2564 35.1242 51.2563 42.3514 20.9787 35.1242 20.9787 -45.9683 GPRESSAVG: 1915200 42.2813 52.4765 37.0579 53.5276 41.273 22.2123 33.8007 21.3315 -45.9371 TIMING: 1915200 CPU: 5775.76, 0.00303326/step Wall: 5775.76, 0.00303326/step, 2.59917 hours remaining, 210.152344 MB of memory in use. ENERGY: 1915200 773.2829 2045.5804 1927.1016 116.6935 -206005.7264 17581.8680 0.0000 0.0000 34235.5698 -149325.6302 298.9877 -183561.2000 -149220.7971 299.2706 -220.1337 -187.9307 558742.2497 12.2648 12.5391 PRESSURE: 1915400 -240.074 -50.9915 -176.609 -50.9916 -47.2631 62.3739 -176.609 62.3755 -305.409 GPRESSURE: 1915400 -178.815 18.3339 -189.95 -158.293 -33.0392 112.209 -207.641 13.4296 -289.463 PRESSAVG: 1915400 -25.5332 -33.9611 23.3137 -33.961 0.0907438 33.6412 23.3138 33.6412 15.2509 GPRESSAVG: 1915400 -24.8859 -35.3424 21.868 -35.6231 -0.241355 32.9681 23.9662 34.2728 14.5539 TIMING: 1915400 CPU: 5776.37, 0.00300413/step Wall: 5776.37, 0.00300413/step, 2.57404 hours remaining, 210.152344 MB of memory in use. ENERGY: 1915400 736.0886 2092.4361 1935.6351 113.3160 -206103.6756 17620.9258 0.0000 0.0000 34325.8521 -149279.4218 299.7762 -183605.2740 -149176.3093 299.3983 -197.5820 -167.1057 557607.8397 -3.3972 -3.5245 PRESSURE: 1915600 -349.062 -86.1501 60.0085 -86.1496 -348.321 6.54183 60.0084 6.54261 -341.424 GPRESSURE: 1915600 -314.612 -77.4618 -4.85029 -74.3435 -306.447 20.9972 -0.614169 5.69066 -326.464 PRESSAVG: 1915600 68.9921 -4.64802 -30.7759 -4.64813 -2.69901 -16.7749 -30.776 -16.7748 -71.2411 GPRESSAVG: 1915600 66.9151 -3.35055 -30.3395 -4.22716 -1.15328 -16.4448 -30.4535 -15.0409 -70.6339 TIMING: 1915600 CPU: 5776.97, 0.0030163/step Wall: 5776.97, 0.0030163/step, 2.58429 hours remaining, 210.152344 MB of memory in use. ENERGY: 1915600 802.0775 2040.1755 1945.3023 115.8811 -205443.4372 17190.6046 0.0000 0.0000 34197.3447 -149152.0516 298.6539 -183349.3963 -149056.7117 299.5022 -346.2691 -315.8410 557698.4237 -1.6494 -1.6240 PRESSURE: 1915800 -88.7169 196.379 -150.682 196.381 95.9483 8.37194 -150.683 8.37015 -97.9945 GPRESSURE: 1915800 -80.0472 195.097 -221.16 187.024 104.161 86.412 -71.1771 -65.5456 -7.76718 PRESSAVG: 1915800 -16.3929 50.7298 -35.6874 50.7298 36.1995 34.5606 -35.6874 34.5606 -1.29956 GPRESSAVG: 1915800 -15.8866 49.5274 -35.96 48.9799 35.9291 34.3568 -34.505 34.0244 -1.4065 TIMING: 1915800 CPU: 5777.57, 0.0030069/step Wall: 5777.57, 0.0030069/step, 2.57608 hours remaining, 210.152344 MB of memory in use. ENERGY: 1915800 736.9465 2106.1173 1938.5907 108.4080 -205958.6901 17691.8037 0.0000 0.0000 34328.3236 -149048.5003 299.7978 -183376.8239 -148950.9420 299.8278 -30.2544 5.4488 557221.3572 6.1690 6.2120 PRESSURE: 1916000 67.7902 37.0682 -37.3887 37.0674 -57.2288 -90.885 -37.3888 -90.8855 154.205 GPRESSURE: 1916000 94.6732 -3.52822 -19.2725 97.7102 -45.8348 -288.467 -56.914 60.7773 206.551 PRESSAVG: 1916000 -40.2272 33.8129 20.9756 33.813 -7.63444 -38.8735 20.9756 -38.8734 63.9064 GPRESSAVG: 1916000 -39.4427 34.5531 21.0596 36.3291 -8.97794 -37.2444 18.0983 -39.4897 64.414 TIMING: 1916000 CPU: 5778.17, 0.00300096/step Wall: 5778.17, 0.00300096/step, 2.57082 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: 1916000 728.3203 2049.1667 1958.9402 114.5574 -206466.9149 17847.5591 0.0000 0.0000 34494.9790 -149273.3922 301.2532 -183768.3712 -149176.7042 300.2061 54.9220 85.1299 556244.3857 5.3483 5.3311 PRESSURE: 1916200 -302.377 48.3332 -33.2703 48.3324 -43.5814 -124.993 -33.2715 -124.992 -257.53 GPRESSURE: 1916200 -262.568 30.5133 -55.432 119.314 28.9504 -114.773 20.1578 -93.2728 -282.451 PRESSAVG: 1916200 -47.7778 25.5071 10.7054 25.5071 -16.648 -9.53978 10.7055 -9.53961 48.0938 GPRESSAVG: 1916200 -47.8937 23.9769 9.7635 26.9798 -15.7089 -11.5623 12.5956 -8.51142 46.896 TIMING: 1916200 CPU: 5778.77, 0.0029989/step Wall: 5778.77, 0.0029989/step, 2.56889 hours remaining, 210.152344 MB of memory in use. ENERGY: 1916200 800.5020 2089.3886 1939.0953 104.1895 -206071.0559 17598.2754 0.0000 0.0000 34244.1522 -149295.4529 299.0627 -183539.6052 -149201.9108 299.3024 -201.1628 -172.0228 557937.2311 -5.4440 -5.5689 LDB: ============= START OF LOAD BALANCING ============== 5782.29 LDB: ============== END OF LOAD BALANCING =============== 5782.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5782.29 LDB: ============= START OF LOAD BALANCING ============== 5782.59 LDB: Largest compute 4772 load 0.029369 is 24.9% of average load 0.118048 LDB: Average compute 0.001734 is 1.5% of average load 0.118048 LDB: TIME 5782.59 LOAD: AVG 0.118048 MAX 0.207409 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.684 MB LDB: TIME 5782.59 LOAD: AVG 0.118048 MAX 0.207409 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.688 MB LDB: TIME 5782.6 LOAD: AVG 0.118048 MAX 0.207409 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.688 MB LDB: ============== END OF LOAD BALANCING =============== 5782.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5782.6 PRESSURE: 1916400 29.4175 -24.9719 143.481 -24.9717 98.2424 112.7 143.482 112.702 241.055 GPRESSURE: 1916400 113.482 -105.611 189.852 29.2093 61.6412 175.813 31.0056 46.4633 272.693 PRESSAVG: 1916400 27.0388 -22.062 4.12042 -22.062 18.0253 -22.8925 4.12038 -22.8924 -19.3536 GPRESSAVG: 1916400 26.7632 -23.2545 5.88128 -22.9378 18.0403 -21.7832 2.91874 -24.0313 -18.7021 TIMING: 1916400 CPU: 5779.38, 0.00307264/step Wall: 5779.38, 0.00307264/step, 2.63189 hours remaining, 208.050781 MB of memory in use. ENERGY: 1916400 726.3007 2153.0768 1935.3902 105.1462 -206277.1756 17810.1887 0.0000 0.0000 34387.7461 -149159.3268 300.3167 -183547.0729 -149070.2878 299.5951 122.9051 149.2722 555932.9565 8.5702 8.7005 PRESSURE: 1916600 359.952 -153.363 -41.6382 -153.364 158.043 40.7337 -41.6379 40.7328 162.391 GPRESSURE: 1916600 406.442 -116.491 -14.1735 -119.939 115.502 107.957 -50.3083 22.1502 241.214 PRESSAVG: 1916600 24.3894 -13.4973 -3.37359 -13.4973 -13.2707 10.0836 -3.37356 10.0836 -9.17929 GPRESSAVG: 1916600 24.0171 -11.5654 -4.74477 -15.2364 -13.3703 9.82197 -2.08654 12.7319 -8.8336 TIMING: 1916600 CPU: 5779.99, 0.00302976/step Wall: 5779.99, 0.00302976/step, 2.59499 hours remaining, 208.253906 MB of memory in use. ENERGY: 1916600 697.6272 2075.2417 1931.9639 101.9013 -206307.8658 18071.5038 0.0000 0.0000 34322.8872 -149106.7408 299.7503 -183429.6279 -149007.5364 299.3607 226.7953 254.3861 556392.6305 0.6465 0.6044 PRESSURE: 1916800 29.0123 139.071 -43.3706 139.069 -333.868 -14.2246 -43.371 -14.2239 -114.197 GPRESSURE: 1916800 98.9852 100.353 -60.1044 100.277 -296.926 -44.6432 -26.7164 -19.4927 -123.238 PRESSAVG: 1916800 43.959 -36.013 27.2119 -36.013 -36.6524 34.2854 27.2119 34.2854 13.4639 GPRESSAVG: 1916800 43.7664 -37.3349 27.2846 -36.9681 -35.3711 37.5879 26.9324 31.6381 12.8646 TIMING: 1916800 CPU: 5780.6, 0.00303289/step Wall: 5780.6, 0.00303289/step, 2.5975 hours remaining, 208.253906 MB of memory in use. ENERGY: 1916800 790.9193 2082.7416 1925.3701 113.9014 -205942.1409 17660.5490 0.0000 0.0000 34248.3363 -149120.3232 299.0992 -183368.6595 -149032.8249 300.3655 -139.6844 -107.0595 557076.0790 6.9235 7.0866 PRESSURE: 1917000 -30.2493 216.84 121.832 216.838 38.3943 8.89209 121.832 8.89083 -178.865 GPRESSURE: 1917000 -8.81768 147.206 134.854 232.777 56.7117 16.2309 155.872 -27.5152 -118.203 PRESSAVG: 1917000 47.5446 40.3932 25.8002 40.3932 -14.7522 7.93689 25.8002 7.93677 -19.9652 GPRESSAVG: 1917000 48.2862 41.7822 25.2192 42.5244 -16.3281 4.33233 26.1794 8.39024 -19.2693 TIMING: 1917000 CPU: 5781.2, 0.00300172/step Wall: 5781.2, 0.00300172/step, 2.57064 hours remaining, 208.253906 MB of memory in use. ENERGY: 1917000 721.6184 2107.0739 1954.6362 106.5356 -206361.4543 17840.1163 0.0000 0.0000 34494.8018 -149136.6721 301.2517 -183631.4739 -149036.0757 299.8304 -56.9068 -23.4365 557050.9901 4.2757 4.2296 PRESSURE: 1917200 145.477 -31.3428 -69.0164 -31.3433 -34.5199 -34.9501 -69.019 -34.9494 196.711 GPRESSURE: 1917200 110.16 -57.9705 -29.9806 -43.2616 35.5431 -44.2905 -45.7795 -33.8888 258.718 PRESSAVG: 1917200 17.9594 16.1094 -15.0386 16.1094 -40.5046 -51.7011 -15.0387 -51.701 18.2137 GPRESSAVG: 1917200 17.7028 13.8877 -13.9206 17.2187 -39.6824 -52.5284 -14.7192 -50.7006 17.958 TIMING: 1917200 CPU: 5781.8, 0.0030114/step Wall: 5781.8, 0.0030114/step, 2.57876 hours remaining, 208.253906 MB of memory in use. ENERGY: 1917200 745.3028 2106.3719 1909.8662 108.9259 -206572.8821 17968.2723 0.0000 0.0000 34375.4652 -149358.6779 300.2095 -183734.1430 -149253.9520 299.6279 102.5563 134.8070 556447.2793 -1.4438 -1.3405 PRESSURE: 1917400 194.085 -8.39264 -50.5229 -8.39377 34.0558 -119.114 -50.5216 -119.112 -263.123 GPRESSURE: 1917400 204.967 -1.31611 -28.1428 22.9799 95.8234 -156.344 -29.9783 -69.5148 -232.78 PRESSAVG: 1917400 60.4037 42.0509 -19.1467 42.0509 -20.0397 -21.0648 -19.1468 -21.0648 -26.5085 GPRESSAVG: 1917400 61.3228 44.6099 -18.6023 41.0391 -20.378 -19.8945 -20.2796 -21.9465 -27.1418 TIMING: 1917400 CPU: 5782.4, 0.00301486/step Wall: 5782.4, 0.00301486/step, 2.58155 hours remaining, 208.253906 MB of memory in use. ENERGY: 1917400 740.2219 2142.2309 1941.4935 121.0533 -206295.3349 17829.5513 0.0000 0.0000 34074.2083 -149446.5757 297.5785 -183520.7839 -149354.6595 299.0923 -11.6607 22.6699 557627.7797 4.6185 4.6010 PRESSURE: 1917600 -112.243 -228.668 112.83 -228.667 -77.6118 -10.7055 112.829 -10.7065 -88.1697 GPRESSURE: 1917600 -118.577 -195.045 10.5828 -180.598 6.312 18.2655 123.686 -62.225 -67.2222 PRESSAVG: 1917600 67.3865 -28.4519 -3.50133 -28.452 -75.7761 -32.0779 -3.50132 -32.0778 -17.7889 GPRESSAVG: 1917600 67.1092 -30.1696 -5.06693 -28.8038 -76.0878 -32.8489 -2.77134 -33.2973 -17.1805 TIMING: 1917600 CPU: 5783.01, 0.00302055/step Wall: 5783.01, 0.00302055/step, 2.58626 hours remaining, 208.253906 MB of memory in use. ENERGY: 1917600 750.2804 2063.5268 1930.8909 111.8395 -206043.4413 17721.0731 0.0000 0.0000 34167.8416 -149297.9889 298.3963 -183465.8305 -149199.6554 298.3371 -92.6747 -59.8292 558087.5686 -8.7262 -8.7197 PRESSURE: 1917800 -8.3536 -87.4951 80.524 -87.4953 -3.46595 162.682 80.524 162.683 -108.22 GPRESSURE: 1917800 33.0451 -127.025 4.22166 35.5116 -9.89879 119.699 73.1434 234.174 -49.7053 PRESSAVG: 1917800 4.10925 -26.5725 -50.4246 -26.5725 -27.8806 2.7858 -50.4245 2.78588 -27.8035 GPRESSAVG: 1917800 4.67027 -27.3818 -49.2814 -25.942 -27.601 1.84344 -51.3653 5.78185 -28.2113 TIMING: 1917800 CPU: 5783.61, 0.0030383/step Wall: 5783.61, 0.0030383/step, 2.60129 hours remaining, 208.378906 MB of memory in use. ENERGY: 1917800 706.1192 2042.6162 1906.3105 111.1416 -206117.9963 17849.4480 0.0000 0.0000 34198.6729 -149303.6878 298.6655 -183502.3607 -149199.7645 298.6958 -40.0132 -8.8530 558602.9174 -17.1916 -17.0474 PRESSURE: 1918000 -5.47302 -33.7132 -79.0554 -33.7128 -112.676 29.9533 -79.0549 29.9547 5.55477 GPRESSURE: 1918000 20.9796 -90.3685 -89.0359 -13.4582 -90.8059 26.3966 -82.7578 82.673 48.5795 PRESSAVG: 1918000 21.7476 -52.1059 17.141 -52.1059 14.6583 66.6065 17.141 66.6064 -44.6062 GPRESSAVG: 1918000 20.8175 -51.407 16.4737 -52.3541 15.4257 66.8488 18.949 65.7138 -44.6708 TIMING: 1918000 CPU: 5784.22, 0.00300337/step Wall: 5784.22, 0.00300337/step, 2.57122 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: 1918000 742.5684 2071.7964 1943.9178 112.0829 -206365.9220 17881.9957 0.0000 0.0000 34302.8208 -149310.7400 299.5751 -183613.5608 -149215.9442 299.0647 -37.5315 -7.0823 557049.4871 -2.7334 -2.8092 PRESSURE: 1918200 177.316 13.8371 15.2501 13.8365 -102.211 -146.384 15.2523 -146.384 129.116 GPRESSURE: 1918200 236.78 -6.93929 21.757 23.814 -26.2423 -51.4929 56.2759 -163.347 86.1259 PRESSAVG: 1918200 21.7101 -33.5523 -10.459 -33.5522 -4.52022 -23.4602 -10.459 -23.4602 10.7224 GPRESSAVG: 1918200 22.6829 -32.7756 -10.3723 -35.0363 -4.87841 -19.9748 -11.4616 -24.0516 10.2652 TIMING: 1918200 CPU: 5784.82, 0.00301852/step Wall: 5784.82, 0.00301852/step, 2.58402 hours remaining, 208.378906 MB of memory in use. ENERGY: 1918200 728.0812 2104.5189 1914.7849 107.0499 -206021.1218 17635.1827 0.0000 0.0000 34343.6255 -149187.8786 299.9314 -183531.5041 -149098.6532 299.3339 68.0738 98.8879 556561.7436 9.3041 9.3565 PRESSURE: 1918400 141.503 -58.7768 67.8316 -58.777 61.0437 -5.37146 67.8314 -5.37153 183.058 GPRESSURE: 1918400 159.218 -107.288 6.2721 55.2587 77.8052 -7.85388 79.7481 69.9565 238.01 PRESSAVG: 1918400 26.9929 22.9121 -57.0842 22.912 28.1052 -42.6123 -57.0843 -42.6123 -40.3218 GPRESSAVG: 1918400 27.197 21.7045 -57.5033 23.1591 27.7153 -46.2525 -58.0416 -42.3019 -40.2069 TIMING: 1918400 CPU: 5785.42, 0.00301272/step Wall: 5785.42, 0.00301272/step, 2.57889 hours remaining, 208.378906 MB of memory in use. ENERGY: 1918400 722.2843 2079.2153 1953.8912 125.2994 -206085.5428 17985.9278 0.0000 0.0000 34217.5305 -149001.3944 298.8302 -183218.9249 -148902.0086 299.4880 128.5347 158.3442 557512.4274 4.9254 4.9018 PRESSURE: 1918600 -148.737 79.5453 151.539 79.5451 -39.2786 32.5052 151.538 32.5054 -31.1148 GPRESSURE: 1918600 -109.96 97.5084 68.1243 53.5654 -14.6021 58.7614 157.09 -0.408617 7.5853 PRESSAVG: 1918600 13.7002 -63.8762 -2.03916 -63.8761 -19.1363 9.96883 -2.03927 9.96895 -33.3187 GPRESSAVG: 1918600 14.173 -62.7404 0.944994 -64.7465 -19.0058 10.6983 -4.37218 8.38022 -33.5982 TIMING: 1918600 CPU: 5786.03, 0.00302169/step Wall: 5786.03, 0.00302169/step, 2.5864 hours remaining, 208.378906 MB of memory in use. ENERGY: 1918600 732.7882 2069.8545 1969.7723 115.9397 -205967.0528 17704.8147 0.0000 0.0000 34363.0153 -149010.8681 300.1008 -183373.8834 -148908.2784 299.3525 -73.0435 -38.9924 558212.2473 -12.9183 -12.8103 PRESSURE: 1918800 -175.751 -32.6417 98.2267 -32.6408 -134.318 74.9461 98.2268 74.9455 -166.551 GPRESSURE: 1918800 -162.168 -73.5647 84.9903 1.30264 -55.8965 114.256 117.086 15.8289 -172.061 PRESSAVG: 1918800 -8.14269 -33.1619 -55.6623 -33.1618 -19.6022 21.0563 -55.6623 21.0562 -21.4552 GPRESSAVG: 1918800 -8.42815 -32.8904 -56.9819 -32.4443 -20.0615 21.4019 -54.6612 20.2802 -21.033 TIMING: 1918800 CPU: 5786.64, 0.00307106/step Wall: 5786.64, 0.00307106/step, 2.62849 hours remaining, 208.378906 MB of memory in use. ENERGY: 1918800 786.2927 2043.4576 1965.9979 128.3515 -205763.9444 17554.8776 0.0000 0.0000 34268.5564 -149016.4107 299.2758 -183284.9672 -148921.4678 298.9861 -158.8730 -130.0417 556864.4485 -16.4000 -16.5075 PRESSURE: 1919000 -68.4209 2.73574 147.051 2.73632 41.7483 -56.6943 147.051 -56.6939 90.5095 GPRESSURE: 1919000 -15.0775 68.4739 178.147 -4.9541 48.0042 -40.0547 205.935 -45.8519 132.471 PRESSAVG: 1919000 26.9264 53.7869 29.472 53.7869 -5.8385 -9.58833 29.4721 -9.58843 -12.671 GPRESSAVG: 1919000 28.1406 53.9017 27.467 53.8255 -5.7017 -10.1257 32.0202 -6.90992 -13.6718 TIMING: 1919000 CPU: 5787.24, 0.00301475/step Wall: 5787.24, 0.00301475/step, 2.58012 hours remaining, 208.378906 MB of memory in use. ENERGY: 1919000 728.7784 2093.3510 1967.0424 115.9186 -205791.4978 17673.5215 0.0000 0.0000 34144.4366 -149068.4493 298.1919 -183212.8859 -148972.5000 299.4310 21.2790 55.1326 557756.2400 2.8056 2.9224 PRESSURE: 1919200 211.419 19.3033 99.698 19.303 -47.3561 10.0096 99.6982 10.0118 -127.513 GPRESSURE: 1919200 207.471 15.4635 20.6159 33.5118 36.0374 34.6809 106.628 12.0446 -101.971 PRESSAVG: 1919200 -2.22959 24.079 43.3317 24.0791 14.9378 -3.8497 43.3317 -3.84964 20.8788 GPRESSAVG: 1919200 -3.44863 23.6711 46.2624 23.5838 14.9886 -2.64046 40.7956 -3.23143 21.9404 TIMING: 1919200 CPU: 5787.85, 0.00304828/step Wall: 5787.85, 0.00304828/step, 2.60865 hours remaining, 208.378906 MB of memory in use. ENERGY: 1919200 771.3870 2087.6641 1939.9783 100.7465 -205967.8277 17806.2650 0.0000 0.0000 34287.0494 -148974.7373 299.4373 -183261.7867 -148882.9622 299.5205 12.1832 47.1792 558714.2853 11.1957 11.1601 PRESSURE: 1919400 -48.9227 29.0979 -67.6472 29.0977 85.3091 -167.962 -67.6473 -167.961 16.1957 GPRESSURE: 1919400 29.17 12.2144 -60.5045 3.33493 111.864 -140.63 -179.729 -108.211 20.7316 PRESSAVG: 1919400 42.2952 7.32585 66.1454 7.32589 2.74216 35.854 66.1453 35.854 -26.6708 GPRESSAVG: 1919400 42.3734 5.66438 66.3741 7.63716 2.9722 34.6555 66.0501 34.5222 -27.3028 TIMING: 1919400 CPU: 5788.46, 0.00304863/step Wall: 5788.46, 0.00304863/step, 2.60878 hours remaining, 208.378906 MB of memory in use. ENERGY: 1919400 789.1452 2136.4803 1931.3154 106.1776 -206390.6539 17913.4695 0.0000 0.0000 34517.6710 -148996.3949 301.4514 -183514.0660 -148901.6661 300.1871 17.5274 53.9219 557699.5370 6.1222 6.0143 PRESSURE: 1919600 -178.697 40.4042 67.2432 40.4042 -71.5571 19.287 67.2437 19.2856 -446.644 GPRESSURE: 1919600 -123.177 81.4308 146.902 8.63473 -118.495 85.9861 2.89037 -5.89235 -350.205 PRESSAVG: 1919600 -10.2733 31.1018 -21.5883 31.1017 98.1866 -18.8096 -21.5882 -18.8096 -54.7843 GPRESSAVG: 1919600 -9.99729 32.4989 -23.4908 31.9895 98.3293 -17.724 -19.8481 -18.8411 -55.0291 TIMING: 1919600 CPU: 5789.06, 0.00300333/step Wall: 5789.06, 0.00300333/step, 2.56985 hours remaining, 208.378906 MB of memory in use. ENERGY: 1919600 781.1015 2094.7409 1953.8062 113.8320 -206057.1372 17740.5918 0.0000 0.0000 34447.1035 -148925.9614 300.8351 -183373.0649 -148828.7587 300.2078 -232.2995 -197.2922 558818.3624 11.0430 11.1010 PRESSURE: 1919800 -74.7882 16.8277 -26.5533 16.8266 28.851 -175.251 -26.5519 -175.252 -157.11 GPRESSURE: 1919800 -35.2041 -22.5252 67.4343 36.1286 51.2511 -198.221 -56.6614 -131.017 -116.358 PRESSAVG: 1919800 24.0239 -22.4731 -8.48053 -22.4732 11.5491 -48.6083 -8.48062 -48.6084 -29.4181 GPRESSAVG: 1919800 24.0963 -22.1857 -7.5512 -21.6942 12.3529 -49.7326 -8.38042 -48.4744 -30.1812 TIMING: 1919800 CPU: 5789.66, 0.00299414/step Wall: 5789.66, 0.00299414/step, 2.56182 hours remaining, 208.378906 MB of memory in use. ENERGY: 1919800 730.0088 2096.9350 1944.1032 109.9067 -205882.3883 17745.8320 0.0000 0.0000 34265.8251 -148989.7775 299.2520 -183255.6026 -148894.0556 299.9772 -67.6823 -33.4370 558200.4172 2.0516 2.0893 PRESSURE: 1920000 -133.743 -85.4086 -52.1354 -85.4084 124.382 4.22499 -52.1355 4.22711 58.7801 GPRESSURE: 1920000 -90.545 -70.0598 -83.7642 -5.22516 124.618 -68.2967 -33.5804 80.4445 113.574 PRESSAVG: 1920000 45.8889 8.81638 -24.8483 8.81643 37.0931 -17.1565 -24.8483 -17.1565 -84.7198 GPRESSAVG: 1920000 46.8819 9.86471 -24.8995 7.92431 36.4817 -17.206 -25.6908 -17.1471 -84.9275 TIMING: 1920000 CPU: 5790.26, 0.00300895/step Wall: 5790.26, 0.00300895/step, 2.57433 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: 1920000 778.7014 2095.9407 1965.4006 105.8303 -206082.5708 17970.7921 0.0000 0.0000 34150.4803 -149015.4255 298.2446 -183165.9058 -148915.9275 300.3718 16.4732 49.2157 557064.6145 -0.5793 -0.5213 PRESSURE: 1920200 -172.935 54.6983 -304.548 54.6983 -174.24 12.7182 -304.548 12.7184 -338.702 GPRESSURE: 1920200 -175.364 156.842 -348.235 34.3921 -122.35 36.8578 -296.679 -8.6456 -300.955 PRESSAVG: 1920200 -12.8815 31.445 10.4039 31.4451 2.45782 -7.28429 10.404 -7.28431 1.83153 GPRESSAVG: 1920200 -13.7142 31.5895 9.15331 30.3514 2.33406 -6.72197 10.6771 -8.50111 2.8257 TIMING: 1920200 CPU: 5790.87, 0.00302303/step Wall: 5790.87, 0.00302303/step, 2.5862 hours remaining, 208.378906 MB of memory in use. ENERGY: 1920200 727.9524 2176.0168 1940.3146 108.0334 -205566.4703 17328.2207 0.0000 0.0000 34327.8435 -148958.0889 299.7936 -183285.9324 -148865.6565 299.9380 -228.6256 -199.5567 557962.1843 -2.8640 -2.8515 LDB: ============= START OF LOAD BALANCING ============== 5794.39 LDB: ============== END OF LOAD BALANCING =============== 5794.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5794.39 LDB: ============= START OF LOAD BALANCING ============== 5794.69 LDB: Largest compute 4800 load 0.028714 is 24.3% of average load 0.118082 LDB: Average compute 0.001727 is 1.5% of average load 0.118082 LDB: TIME 5794.69 LOAD: AVG 0.118082 MAX 0.20965 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.176 MB LDB: TIME 5794.69 LOAD: AVG 0.118082 MAX 0.20965 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.176 MB LDB: TIME 5794.69 LOAD: AVG 0.118082 MAX 0.20965 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.176 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5794.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5794.7 PRESSURE: 1920400 -189.687 67.6073 -8.20371 67.6067 66.2673 118.902 -8.2033 118.902 -225.189 GPRESSURE: 1920400 -149.007 7.90453 -41.0296 6.4714 64.8414 59.0696 4.7145 108.987 -154.073 PRESSAVG: 1920400 -23.863 19.6412 -21.2832 19.6413 -17.0075 11.8888 -21.2832 11.8889 19.1471 GPRESSAVG: 1920400 -24.6542 19.8791 -19.8704 22.8823 -16.9868 12.2324 -22.0109 12.1672 19.4425 TIMING: 1920400 CPU: 5791.48, 0.00307964/step Wall: 5791.48, 0.00307964/step, 2.63446 hours remaining, 206.734375 MB of memory in use. ENERGY: 1920400 747.9839 2112.1266 1971.5846 105.1847 -205999.3609 17662.2288 0.0000 0.0000 34300.7272 -149099.5251 299.5568 -183400.2522 -148999.6025 300.0214 -116.2028 -79.4132 557495.8481 -7.2412 -7.3995 PRESSURE: 1920600 302.878 68.4372 54.8856 68.4356 193.646 -109.816 54.8861 -109.815 126.649 GPRESSURE: 1920600 344.194 90.8086 65.0051 7.40309 197.99 -138.648 86.9399 -106.315 173.73 PRESSAVG: 1920600 52.7619 -18.0599 8.22037 -18.0599 50.3341 14.7253 8.2203 14.7253 -57.2206 GPRESSAVG: 1920600 52.5867 -20.7832 7.73553 -19.9074 51.1905 12.8392 7.71227 15.122 -57.8033 TIMING: 1920600 CPU: 5792.09, 0.00302484/step Wall: 5792.09, 0.00302484/step, 2.58741 hours remaining, 206.937500 MB of memory in use. ENERGY: 1920600 792.8893 2078.1118 1943.1706 115.1815 -206156.5818 18060.0707 0.0000 0.0000 34180.4255 -148986.7324 298.5062 -183167.1578 -148897.7998 300.1098 207.7242 238.6377 557813.8705 15.2918 15.3246 PRESSURE: 1920800 -236.199 -47.7502 -200.845 -47.7498 -178.351 26.081 -200.844 26.081 -407.608 GPRESSURE: 1920800 -225.942 -61.0524 -176.578 -44.0758 -132.761 42.197 -239.21 17.5992 -370.233 PRESSAVG: 1920800 19.0449 -52.2503 19.5198 -52.2503 52.773 -7.65285 19.5197 -7.6529 -82.5663 GPRESSAVG: 1920800 20.2517 -52.6985 19.3652 -51.438 51.497 -7.15428 19.7847 -6.80261 -81.8168 TIMING: 1920800 CPU: 5792.69, 0.00298793/step Wall: 5792.69, 0.00298793/step, 2.55567 hours remaining, 207.062500 MB of memory in use. ENERGY: 1920800 763.5817 2056.1220 1926.2575 107.6884 -205387.5917 17353.6302 0.0000 0.0000 34089.8359 -149090.4760 297.7150 -183180.3119 -148989.0372 299.3063 -274.0527 -242.9786 558442.8903 -3.5828 -3.3560 PRESSURE: 1921000 -87.981 -82.9846 52.7782 -82.986 76.7649 48.6325 52.7772 48.6329 -62.6108 GPRESSURE: 1921000 -73.8875 -79.8209 43.0914 0.943013 97.8806 -8.48709 20.9687 84.5278 -2.94274 PRESSAVG: 1921000 9.65798 -52.0566 21.7521 -52.0567 77.7875 14.5817 21.7522 14.5816 -32.7345 GPRESSAVG: 1921000 10.5805 -50.6895 20.661 -53.8147 78.533 11.7028 22.3226 16.6902 -34.2189 TIMING: 1921000 CPU: 5793.28, 0.00297222/step Wall: 5793.28, 0.00297222/step, 2.54208 hours remaining, 207.062500 MB of memory in use. ENERGY: 1921000 753.1694 2137.5957 1956.2118 117.0832 -206033.0677 17629.7301 0.0000 0.0000 34471.8288 -148967.4489 301.0511 -183439.2776 -148863.2441 299.5770 -24.6089 7.0168 557758.4925 18.2370 18.2982 PRESSURE: 1921200 -63.3715 -54.6864 28.2764 -54.6868 83.306 -38.7832 28.2756 -38.7831 -19.5367 GPRESSURE: 1921200 4.53283 -117.846 7.88704 23.3118 74.7295 -54.3869 -57.1396 -29.1599 16.495 PRESSAVG: 1921200 -15.4811 35.5648 8.52311 35.5649 45.8669 19.4257 8.52303 19.4257 -25.2367 GPRESSAVG: 1921200 -15.3523 34.6285 9.57418 35.3181 44.6892 21.2327 8.09716 16.1341 -23.5995 TIMING: 1921200 CPU: 5793.88, 0.00300524/step Wall: 5793.88, 0.00300524/step, 2.57015 hours remaining, 207.062500 MB of memory in use. ENERGY: 1921200 717.9412 2080.7887 1932.7654 122.1250 -206006.5026 17717.2495 0.0000 0.0000 34271.0195 -149164.6133 299.2973 -183435.6328 -149061.7519 299.8598 0.1326 31.9191 557065.0720 1.7163 1.9125 PRESSURE: 1921400 -390.691 -111.558 126.017 -111.558 -79.5114 31.3501 126.018 31.3505 -225.494 GPRESSURE: 1921400 -356.423 -67.9749 95.2474 -106.976 -37.6229 34.8022 105.076 -4.5804 -184.667 PRESSAVG: 1921400 -10.1188 -40.031 30.2636 -40.031 -39.4587 -26.1975 30.2637 -26.1975 18.3119 GPRESSAVG: 1921400 -11.4752 -39.0435 31.2435 -40.5937 -38.841 -26.0767 30.1705 -24.1591 19.0188 TIMING: 1921400 CPU: 5794.48, 0.00300007/step Wall: 5794.48, 0.00300007/step, 2.56556 hours remaining, 207.062500 MB of memory in use. ENERGY: 1921400 742.5311 2021.1403 1929.9173 105.0584 -205746.7789 17612.5870 0.0000 0.0000 34262.1056 -149073.4393 299.2195 -183335.5449 -148974.9289 299.3787 -231.8989 -192.9044 558017.8706 -10.4219 -10.4325 PRESSURE: 1921600 -266.048 -58.4809 134.52 -58.4802 181.882 106.481 134.521 106.481 -42.2623 GPRESSURE: 1921600 -254.193 -98.7893 166.517 -19.1121 196.575 93.8495 119.549 143.145 31.4896 PRESSAVG: 1921600 -28.7595 -14.4819 -25.9271 -14.4818 34.6228 36.0576 -25.927 36.0576 2.43481 GPRESSAVG: 1921600 -26.5881 -17.1629 -26.8458 -12.2357 34.4187 37.5616 -25.1692 34.6708 1.19958 TIMING: 1921600 CPU: 5795.08, 0.00296854/step Wall: 5795.08, 0.00296853/step, 2.53843 hours remaining, 207.062500 MB of memory in use. ENERGY: 1921600 763.9809 2082.4111 1922.8532 117.7814 -205702.4122 17624.4878 0.0000 0.0000 34157.9552 -149032.9426 298.3099 -183190.8978 -148948.0644 299.3465 -42.1426 -8.7095 557047.6080 2.7660 3.0101 PRESSURE: 1921800 -35.4031 -13.356 -53.627 -13.3565 -31.7533 158.444 -53.626 158.443 -182.18 GPRESSURE: 1921800 -4.0405 -0.716966 -54.4187 -28.556 8.00525 170.381 -43.1789 102.816 -142.126 PRESSAVG: 1921800 -61.3985 -23.2617 11.3051 -23.2618 12.3749 11.143 11.305 11.1432 -8.42582 GPRESSAVG: 1921800 -62.2781 -20.7519 13.1931 -26.564 12.8663 11.5164 11.202 11.7014 -8.41765 TIMING: 1921800 CPU: 5795.67, 0.00298285/step Wall: 5795.67, 0.00298285/step, 2.5505 hours remaining, 207.062500 MB of memory in use. ENERGY: 1921800 724.3481 2070.0351 1938.9893 97.6678 -206023.6757 17814.7024 0.0000 0.0000 34332.8345 -149045.0986 299.8372 -183377.9330 -148939.6738 299.3272 -83.1122 -46.0539 558204.2162 -19.1498 -19.2765 PRESSURE: 1922000 -52.9741 154.253 -29.0914 154.253 -83.2703 10.5695 -29.0891 10.5699 89.0671 GPRESSURE: 1922000 5.84316 107.627 23.8821 198.621 -48.316 17.2434 -26.0681 23.199 75.8732 PRESSAVG: 1922000 -44.0612 29.5245 -12.5909 29.5246 60.5048 48.7709 -12.5909 48.771 46.693 GPRESSAVG: 1922000 -44.0026 29.0247 -13.4578 32.0378 60.4821 49.3097 -12.7555 49.9418 46.5786 TIMING: 1922000 CPU: 5796.27, 0.00298047/step Wall: 5796.27, 0.00298047/step, 2.5483 hours remaining, 207.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1922000 749.2574 2058.4327 1944.1804 100.5113 -205808.3698 17740.8601 0.0000 0.0000 34192.1574 -149022.9704 298.6086 -183215.1278 -148936.4484 299.4111 -15.7258 11.1334 558977.5834 21.0455 21.0193 PRESSURE: 1922200 -128.464 -27.2651 -102.391 -27.2643 -70.7448 118.192 -102.391 118.193 -60.2729 GPRESSURE: 1922200 -153.96 -122.259 -115.217 -29.8704 14.2691 207.708 -71.048 8.63748 -18.1592 PRESSAVG: 1922200 -70.4215 -7.02531 13.3612 -7.02533 10.7665 53.5581 13.361 53.5581 15.9555 GPRESSAVG: 1922200 -69.1986 -8.83615 13.2891 -6.57291 9.52889 54.7546 13.9397 52.1267 16.5662 TIMING: 1922200 CPU: 5796.87, 0.00300298/step Wall: 5796.87, 0.00300298/step, 2.56738 hours remaining, 207.062500 MB of memory in use. ENERGY: 1922200 751.4168 1986.9632 1906.0341 99.7010 -205762.4809 17550.0232 0.0000 0.0000 34346.7080 -149121.6345 299.9583 -183468.3425 -149022.2740 299.4434 -86.4938 -52.6166 560149.7688 -14.5665 -14.3678 PRESSURE: 1922400 -68.8611 -47.2086 -9.54564 -47.2097 -177.872 13.3166 -9.54556 13.3165 -65.925 GPRESSURE: 1922400 -30.2127 -183.202 -57.8624 -7.41464 -98.9032 72.5906 -53.9972 -41.6841 -87.8914 PRESSAVG: 1922400 -21.0454 -19.5209 22.7488 -19.5209 13.7651 67.0926 22.7488 67.0925 25.2137 GPRESSAVG: 1922400 -22.9746 -18.8988 22.2784 -21.3702 16.013 66.6326 22.962 66.7653 24.5192 TIMING: 1922400 CPU: 5797.48, 0.00304419/step Wall: 5797.48, 0.00304419/step, 2.60245 hours remaining, 207.062500 MB of memory in use. ENERGY: 1922400 721.8615 2077.6210 1927.9068 98.9674 -206133.5878 17732.9381 0.0000 0.0000 34315.1920 -149259.1009 299.6831 -183574.2929 -149160.0111 300.0478 -104.2194 -72.3357 559993.8178 5.9778 5.8525 PRESSURE: 1922600 -164.866 -86.5973 81.2887 -86.5962 -196.555 171.189 81.2897 171.188 0.308813 GPRESSURE: 1922600 -163.021 -81.4745 164.238 -162.656 -144.424 215.637 117.599 158.858 41.0855 PRESSAVG: 1922600 40.536 -8.99695 60.3988 -8.99697 -98.4691 11.746 60.3989 11.7461 4.07039 GPRESSAVG: 1922600 41.2208 -7.9717 61.8447 -7.30473 -98.7504 11.4728 58.5416 12.901 4.16334 TIMING: 1922600 CPU: 5798.08, 0.00298686/step Wall: 5798.08, 0.00298686/step, 2.55327 hours remaining, 207.062500 MB of memory in use. ENERGY: 1922600 805.9140 2102.8919 1909.3573 108.8475 -206228.2180 17777.2941 0.0000 0.0000 34209.8773 -149314.0358 298.7634 -183523.9131 -149218.5832 298.7587 -120.3708 -88.7865 558679.0110 -17.9543 -17.7888 PRESSURE: 1922800 -323.516 28.7035 -36.6721 28.701 -306.45 -166.677 -36.6713 -166.675 41.4691 GPRESSURE: 1922800 -275.52 34.9953 -81.8524 25.6251 -236.368 -216.675 35.2544 -171.36 33.8144 PRESSAVG: 1922800 8.57429 -35.6042 52.4677 -35.6041 -38.0494 23.6619 52.4677 23.662 19.1726 GPRESSAVG: 1922800 9.00521 -36.3163 50.6518 -35.048 -38.2692 22.5722 53.8094 25.1649 19.376 TIMING: 1922800 CPU: 5798.68, 0.0030153/step Wall: 5798.68, 0.0030153/step, 2.57741 hours remaining, 207.062500 MB of memory in use. ENERGY: 1922800 735.7647 2111.6539 1934.8314 120.3616 -205962.8536 17478.7915 0.0000 0.0000 34065.3581 -149516.0924 297.5012 -183581.4505 -149418.0664 298.5951 -196.1655 -159.3580 558410.6503 -3.4342 -3.2960 PRESSURE: 1923000 -191.64 21.2271 6.91823 21.2268 -12.4538 -60.5797 6.91894 -60.5786 -424.975 GPRESSURE: 1923000 -195.273 58.8847 35.1169 -20.728 -14.5376 -113.539 38.671 -32.6709 -317.857 PRESSAVG: 1923000 12.4599 7.98999 -19.9389 7.99004 -7.78753 -8.49712 -19.9387 -8.49703 25.7287 GPRESSAVG: 1923000 11.1284 8.35459 -18.8035 7.41073 -7.42378 -8.26105 -20.1635 -8.51268 26.1908 TIMING: 1923000 CPU: 5799.28, 0.00300482/step Wall: 5799.28, 0.00300482/step, 2.56828 hours remaining, 207.062500 MB of memory in use. ENERGY: 1923000 745.1705 2147.1131 1923.9161 110.0675 -205961.0913 17466.7993 0.0000 0.0000 34223.8973 -149344.1275 298.8858 -183568.0247 -149249.4021 298.8203 -209.6895 -175.8892 558417.8643 10.1337 9.9651 PRESSURE: 1923200 68.3554 59.9405 -64.6474 59.9402 -182.98 -102.299 -64.6479 -102.297 -173.731 GPRESSURE: 1923200 4.73557 -8.17766 -168.812 42.6494 -89.4914 -89.8916 -123.531 -57.83 -102.412 PRESSAVG: 1923200 23.3738 -30.821 -25.19 -30.8211 -8.89492 -9.50443 -25.19 -9.50447 -17.0522 GPRESSAVG: 1923200 24.5642 -30.8511 -26.591 -31.5152 -9.4531 -7.33443 -25.8876 -10.35 -17.5407 TIMING: 1923200 CPU: 5799.88, 0.00300569/step Wall: 5799.88, 0.00300569/step, 2.56886 hours remaining, 207.062500 MB of memory in use. ENERGY: 1923200 739.1483 2032.0421 1970.8421 123.0128 -206343.3180 17736.2848 0.0000 0.0000 34480.1821 -149261.8059 301.1240 -183741.9880 -149162.5015 299.1738 -96.1184 -62.3893 557178.2669 -0.8578 -0.8099 PRESSURE: 1923400 5.45617 106.086 -186.415 106.085 49.2101 -83.5559 -186.415 -83.5562 72.5873 GPRESSURE: 1923400 39.2795 59.8914 -142.673 116.671 106.471 -132.362 -173.721 -117.855 71.9715 PRESSAVG: 1923400 46.4652 42.2314 -8.92385 42.2315 10.2849 5.63468 -8.92383 5.63461 -0.185733 GPRESSAVG: 1923400 47.3017 40.4268 -8.06763 42.2823 9.24274 4.07762 -8.06857 4.80215 0.150873 TIMING: 1923400 CPU: 5800.48, 0.00301373/step Wall: 5800.48, 0.00301373/step, 2.57556 hours remaining, 207.062500 MB of memory in use. ENERGY: 1923400 740.3766 2081.0995 1955.6339 117.8829 -206094.7461 17792.4272 0.0000 0.0000 34328.9918 -149078.3342 299.8036 -183407.3259 -148979.4460 299.5377 42.4179 72.5739 556270.2151 18.8548 18.8985 PRESSURE: 1923600 -44.1849 -14.5141 137.203 -14.5136 -243.454 166.737 137.202 166.735 -406.543 GPRESSURE: 1923600 -53.9509 -81.0101 160.498 -69.4234 -190.124 65.5316 161.88 204.129 -358.443 PRESSAVG: 1923600 13.6629 -39.7753 -18.0079 -39.7752 66.1124 -7.81138 -18.008 -7.81154 -28.1034 GPRESSAVG: 1923600 11.4163 -37.6113 -16.4885 -40.7317 66.7778 -7.43022 -16.8064 -8.60918 -26.8755 TIMING: 1923600 CPU: 5801.09, 0.00302541/step Wall: 5801.09, 0.00302541/step, 2.58538 hours remaining, 207.062500 MB of memory in use. ENERGY: 1923600 763.0589 2128.2541 1959.3375 115.9991 -205603.9098 17214.5975 0.0000 0.0000 34316.0014 -149106.6612 299.6902 -183422.6627 -149012.3952 299.4695 -231.3939 -200.8391 555885.8058 17.2240 17.1062 PRESSURE: 1923800 39.4895 71.3701 -21.3833 71.3678 58.4109 50.733 -21.3836 50.7327 -255.483 GPRESSURE: 1923800 29.9456 88.0112 -46.3842 165.419 21.7319 120.778 -0.0421649 46.4869 -112.923 PRESSAVG: 1923800 12.1183 -26.568 -22.4352 -26.568 54.0381 -1.69415 -22.4352 -1.69411 -61.6113 GPRESSAVG: 1923800 13.2369 -26.9351 -22.7579 -26.7723 55.0933 -0.692201 -24.1274 0.000417149 -62.7898 TIMING: 1923800 CPU: 5801.69, 0.00299849/step Wall: 5801.69, 0.00299849/step, 2.56221 hours remaining, 207.062500 MB of memory in use. ENERGY: 1923800 781.6366 2121.7894 1972.5184 100.5918 -206312.0152 17727.6463 0.0000 0.0000 34382.3449 -149225.4878 300.2696 -183607.8326 -149126.9397 299.8121 -52.5277 -20.4151 555153.3368 1.5150 1.8468 PRESSURE: 1924000 78.5894 -86.0494 -134.597 -86.0499 -154.199 -57.8428 -134.596 -57.8416 -85.8401 GPRESSURE: 1924000 69.0751 -48.5475 -112.598 -26.6945 -87.7671 -49.2718 -162.511 -139.76 -43.7207 PRESSAVG: 1924000 1.74547 21.1789 -44.5521 21.1789 28.9946 75.0281 -44.552 75.0281 -50.0627 GPRESSAVG: 1924000 1.91338 21.175 -44.5175 22.0068 28.5665 73.768 -44.4819 74.6436 -50.2398 TIMING: 1924000 CPU: 5802.29, 0.00300935/step Wall: 5802.29, 0.00300935/step, 2.57132 hours remaining, 207.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1924000 808.6341 2090.8436 1948.9456 119.3927 -206313.7728 17853.1762 0.0000 0.0000 34276.2571 -149216.5235 299.3431 -183492.7806 -149119.4529 300.0588 -53.8166 -20.8042 556281.4571 -6.4409 -6.5866 PRESSURE: 1924200 -210.999 76.3429 118.928 76.344 -43.9107 70.2184 118.928 70.2197 60.8169 GPRESSURE: 1924200 -171.515 93.425 107.644 58.5873 -26.0026 185.212 125.216 66.0905 80.0003 PRESSAVG: 1924200 54.49 -26.9073 -47.1781 -26.9073 -10.4796 -3.23181 -47.178 -3.23187 -57.152 GPRESSAVG: 1924200 53.7401 -26.7583 -48.0324 -28.2523 -11.1576 -1.9227 -46.675 -3.80597 -55.5394 TIMING: 1924200 CPU: 5802.89, 0.0029981/step Wall: 5802.89, 0.0029981/step, 2.56155 hours remaining, 207.062500 MB of memory in use. ENERGY: 1924200 815.5943 2123.3246 1960.5953 114.6641 -206440.0893 17817.7193 0.0000 0.0000 34375.5093 -149232.6823 300.2099 -183608.1916 -149142.3884 299.5625 -64.6976 -39.1723 556668.8838 -4.3805 -4.3189 LDB: ============= START OF LOAD BALANCING ============== 5806.4 LDB: ============== END OF LOAD BALANCING =============== 5806.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5806.41 LDB: ============= START OF LOAD BALANCING ============== 5806.71 LDB: Largest compute 4772 load 0.029181 is 24.7% of average load 0.118065 LDB: Average compute 0.001726 is 1.5% of average load 0.118065 LDB: TIME 5806.71 LOAD: AVG 0.118065 MAX 0.209921 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 5806.71 LOAD: AVG 0.118065 MAX 0.209921 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.492 MB LDB: TIME 5806.71 LOAD: AVG 0.118065 MAX 0.209921 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.492 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5806.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5806.72 PRESSURE: 1924400 14.3436 -18.0922 -64.145 -18.0933 -284.787 104.064 -64.1445 104.064 65.5465 GPRESSURE: 1924400 -4.37637 -95.6148 -33.5723 -0.701249 -206.972 150.639 -15.4584 154.675 96.494 PRESSAVG: 1924400 -12.5598 31.2536 53.8091 31.2535 34.2359 32.2374 53.8092 32.2375 -1.3601 GPRESSAVG: 1924400 -12.1027 30.9842 54.281 32.3736 35.3869 32.0547 53.0511 33.0549 -2.93321 TIMING: 1924400 CPU: 5803.5, 0.00304401/step Wall: 5803.5, 0.00304401/step, 2.6006 hours remaining, 209.820312 MB of memory in use. ENERGY: 1924400 787.1268 2053.3703 1946.3664 114.4506 -206183.3423 17825.8901 0.0000 0.0000 34172.3703 -149283.7678 298.4358 -183456.1381 -149194.7017 299.3331 -68.2990 -38.2849 556127.9112 6.7720 6.7837 PRESSURE: 1924600 -160.459 278.411 233.388 278.41 104.943 52.301 233.386 52.3005 -155.424 GPRESSURE: 1924600 -105.219 183.632 274.58 183.431 155.506 -33.7603 220.48 76.3034 -157.534 PRESSAVG: 1924600 14.3643 7.53819 -39.0055 7.53826 -4.12733 14.2517 -39.0055 14.2516 -6.11775 GPRESSAVG: 1924600 14.6411 8.41164 -40.0291 6.04875 -4.99193 12.0424 -37.8545 14.1725 -5.42246 TIMING: 1924600 CPU: 5804.1, 0.00299842/step Wall: 5804.1, 0.00299842/step, 2.56149 hours remaining, 209.820312 MB of memory in use. ENERGY: 1924600 742.2668 2123.0384 1918.6354 107.6718 -206093.6691 17674.9914 0.0000 0.0000 34327.2877 -149199.7776 299.7887 -183527.0653 -149103.6766 298.7051 -70.3131 -35.7491 556797.8008 1.3731 1.4089 PRESSURE: 1924800 79.3916 -24.5273 -6.09907 -24.527 -166.888 184.315 -6.09873 184.317 15.6225 GPRESSURE: 1924800 157.606 1.27149 50.4947 4.24121 -138.996 166.624 -22.5059 234.897 19.4919 PRESSAVG: 1924800 22.3485 30.2401 18.9944 30.24 48.1371 0.443662 18.9944 0.443637 -44.7549 GPRESSAVG: 1924800 21.2477 29.9754 22.0816 31.611 49.7712 0.547085 16.0182 1.60399 -45.1874 TIMING: 1924800 CPU: 5804.7, 0.00301779/step Wall: 5804.7, 0.00301779/step, 2.57787 hours remaining, 209.820312 MB of memory in use. ENERGY: 1924800 736.1810 2156.9533 1949.0563 112.8942 -205946.1496 17546.6449 0.0000 0.0000 34195.4182 -149249.0017 298.6371 -183444.4199 -149157.5527 299.3696 -23.9581 12.7006 556530.6555 8.5769 8.6105 PRESSURE: 1925000 284.105 -183.822 59.4837 -183.822 138.568 -15.363 59.4841 -15.363 -3.71988 GPRESSURE: 1925000 342.319 -248.646 48.1685 -236.987 102.263 59.6571 114.848 -48.0677 58.6833 PRESSAVG: 1925000 48.2236 -27.2666 -15.9402 -27.2667 21.5104 24.9767 -15.9402 24.9767 -28.1365 GPRESSAVG: 1925000 47.8362 -28.7551 -18.481 -26.6205 20.6505 26.9137 -13.5141 23.4243 -26.9813 TIMING: 1925000 CPU: 5805.31, 0.00303285/step Wall: 5805.31, 0.00303285/step, 2.59056 hours remaining, 209.820312 MB of memory in use. ENERGY: 1925000 696.8665 2195.2653 1928.3528 112.7963 -206116.1123 17757.1676 0.0000 0.0000 34053.2375 -149372.4262 297.3954 -183425.6637 -149276.3139 298.8826 139.6507 167.7553 555807.4878 13.8658 13.8351 PRESSURE: 1925200 125.875 -98.5545 -200.646 -98.5549 181.84 -116.697 -200.647 -116.696 -297.603 GPRESSURE: 1925200 186.165 -85.3299 -169.42 -126.939 117.087 -119.588 -142.468 -95.1458 -196.366 PRESSAVG: 1925200 11.383 26.6529 -7.89504 26.6528 44.0819 21.3679 -7.89496 21.3679 -47.0092 GPRESSAVG: 1925200 11.9464 26.0548 -7.59421 27.5072 43.8734 21.7952 -9.85414 21.5493 -47.0705 TIMING: 1925200 CPU: 5805.91, 0.00301074/step Wall: 5805.91, 0.00301074/step, 2.57151 hours remaining, 209.820312 MB of memory in use. ENERGY: 1925200 776.5828 2065.2439 1922.0625 110.1108 -206467.3493 17821.5837 0.0000 0.0000 34370.0121 -149401.7535 300.1619 -183771.7656 -149304.2978 299.0546 3.3709 35.6286 556587.7402 2.8186 2.9164 PRESSURE: 1925400 -118.09 -48.8553 26.2027 -48.8555 -39.1377 2.52832 26.2026 2.52619 -192.412 GPRESSURE: 1925400 -66.6047 -35.7571 24.4673 5.07855 26.4041 13.7857 35.3868 -54.1774 -207.362 PRESSAVG: 1925400 -10.6507 -31.6479 -16.2891 -31.6479 27.2061 21.2494 -16.2891 21.2494 18.9064 GPRESSAVG: 1925400 -10.6951 -30.7833 -17.6831 -32.598 27.7338 22.658 -12.9011 21.0212 18.21 TIMING: 1925400 CPU: 5806.51, 0.00299674/step Wall: 5806.51, 0.00299674/step, 2.55938 hours remaining, 209.820312 MB of memory in use. ENERGY: 1925400 754.8841 2124.4683 1911.7317 107.9602 -206174.8481 17768.9252 0.0000 0.0000 34257.7690 -149249.1097 299.1816 -183506.8786 -149156.2949 299.1112 -116.5466 -82.5208 556349.4196 11.8206 11.7495 PRESSURE: 1925600 197.685 -51.5655 117.069 -51.5644 108.123 133.54 117.069 133.54 -128.175 GPRESSURE: 1925600 208.003 -46.9254 170.302 -72.5087 129.263 202.902 -33.7172 126.154 -53.0276 PRESSAVG: 1925600 35.9931 8.10999 6.2762 8.10993 34.2125 15.2063 6.27625 15.2061 -13.1774 GPRESSAVG: 1925600 36.1315 5.48356 8.13612 8.61512 34.1378 13.8967 4.30551 16.0729 -12.8551 TIMING: 1925600 CPU: 5807.11, 0.00301222/step Wall: 5807.11, 0.00301222/step, 2.57243 hours remaining, 209.820312 MB of memory in use. ENERGY: 1925600 718.4305 2072.3655 1920.9600 107.5535 -206392.1968 18076.2183 0.0000 0.0000 34248.0839 -149248.5851 299.0970 -183496.6690 -149157.4347 299.0470 59.2110 94.7463 557744.6715 19.0094 19.1380 PRESSURE: 1925800 -485.415 -26.2361 182.598 -26.2368 -227.15 3.8296 182.6 3.83002 105.869 GPRESSURE: 1925800 -444.876 -8.29635 75.7012 -21.6598 -139.181 -100.159 264.9 30.4518 61.9148 PRESSAVG: 1925800 34.942 -31.0213 18.4585 -31.0212 -39.8682 -14.9652 18.4586 -14.9653 19.0414 GPRESSAVG: 1925800 35.1557 -27.5091 15.5221 -32.2012 -38.7746 -17.1652 20.3555 -13.716 18.4746 TIMING: 1925800 CPU: 5807.72, 0.00302069/step Wall: 5807.72, 0.00302069/step, 2.5795 hours remaining, 209.820312 MB of memory in use. ENERGY: 1925800 770.8166 2050.4400 1926.7349 124.4395 -205993.4928 17546.1855 0.0000 0.0000 34309.7054 -149265.1708 299.6352 -183574.8762 -149177.1600 299.4240 -202.2319 -174.0475 557170.8258 4.7051 4.9519 PRESSURE: 1926000 215.281 -127.311 -106.695 -127.31 -99.1863 124.59 -106.695 124.592 325.569 GPRESSURE: 1926000 225.783 -171.494 -186.092 -68.823 -5.9378 126.73 11.6431 111.961 308.527 PRESSAVG: 1926000 14.1295 -30.8036 -21.9793 -30.8037 -37.2503 8.14658 -21.9793 8.14652 35.7499 GPRESSAVG: 1926000 13.5885 -30.8286 -19.4399 -28.0017 -36.5395 10.481 -24.4594 6.55353 35.9197 TIMING: 1926000 CPU: 5808.32, 0.00302264/step Wall: 5808.32, 0.00302264/step, 2.581 hours remaining, 209.820312 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: 1926000 698.6499 2096.4136 1930.8579 113.9517 -206521.1746 18011.0837 0.0000 0.0000 34288.4289 -149381.7890 299.4494 -183670.2178 -149283.4690 299.5349 147.2212 176.1239 556089.9935 4.2097 4.3229 PRESSURE: 1926200 -126.45 98.5454 178.761 98.5461 -363.639 4.85989 178.761 4.861 -69.4572 GPRESSURE: 1926200 -125.409 129.743 124.982 26.1325 -278.434 13.1066 172.444 -36.4951 -60.2966 PRESSAVG: 1926200 28.6476 -17.6605 -37.7483 -17.6604 -30.6092 -13.1062 -37.7484 -13.1061 9.29617 GPRESSAVG: 1926200 28.4032 -18.1749 -37.554 -22.2853 -31.0965 -12.547 -37.0059 -12.9238 9.85038 TIMING: 1926200 CPU: 5808.92, 0.0029953/step Wall: 5808.92, 0.0029953/step, 2.55749 hours remaining, 209.820312 MB of memory in use. ENERGY: 1926200 774.2792 2118.9658 1937.0324 124.3512 -206397.4216 17721.9667 0.0000 0.0000 34499.4777 -149221.3487 301.2925 -183720.8263 -149121.5962 299.3792 -186.5155 -154.7131 558649.0057 2.4448 2.3857 PRESSURE: 1926400 171.98 14.8016 16.3308 14.8006 -258.269 -39.6669 16.3308 -39.6664 -294.182 GPRESSURE: 1926400 180.339 49.2527 24.9786 0.287792 -204.224 -34.2328 106.389 -50.7696 -263.646 PRESSAVG: 1926400 5.78295 -4.72912 17.0284 -4.72912 -52.2 -13.9323 17.0284 -13.9323 45.1145 GPRESSAVG: 1926400 5.96057 -6.52595 15.8454 -1.1972 -52.0471 -15.7898 16.7409 -13.8576 45.0991 TIMING: 1926400 CPU: 5809.51, 0.00296644/step Wall: 5809.51, 0.00296644/step, 2.53268 hours remaining, 209.957031 MB of memory in use. ENERGY: 1926400 776.2000 2090.3071 1926.3025 113.2023 -205932.2650 17656.4552 0.0000 0.0000 34339.9948 -149029.8029 299.8997 -183369.7978 -148936.0649 299.6133 -126.8234 -95.8437 558584.4220 -0.4342 -0.3291 PRESSURE: 1926600 28.5168 -83.5359 39.9891 -83.5347 -94.4946 -91.2844 39.9888 -91.286 65.3812 GPRESSURE: 1926600 66.2873 -133.39 -4.99861 -110.22 -42.7821 -127.215 182.75 -89.9635 80.5049 PRESSAVG: 1926600 8.11773 25.9724 -65.5668 25.9725 -34.7524 -28.5754 -65.5668 -28.5754 22.7936 GPRESSAVG: 1926600 8.11812 28.2893 -66.4116 23.7918 -35.512 -27.7541 -64.8043 -29.9513 24.0073 TIMING: 1926600 CPU: 5810.12, 0.00301139/step Wall: 5810.12, 0.00301139/step, 2.57089 hours remaining, 209.957031 MB of memory in use. ENERGY: 1926600 755.2951 2123.2181 1910.4628 117.0714 -206326.5299 17841.8134 0.0000 0.0000 34262.8229 -149315.8462 299.2258 -183578.6691 -149214.0660 298.8406 -0.1989 34.6701 557928.5319 -1.2804 -1.1289 PRESSURE: 1926800 156.728 37.6414 -37.8809 37.6408 55.7174 -37.1773 -37.8801 -37.1766 289.96 GPRESSURE: 1926800 234.743 -11.8671 -37.9127 57.2861 40.9124 7.35505 57.4298 -81.1902 333.195 PRESSAVG: 1926800 13.6568 3.13568 -14.9145 3.1357 28.2325 -7.00183 -14.9145 -7.00199 -15.765 GPRESSAVG: 1926800 14.6454 1.28204 -13.3183 5.08536 27.904 -9.86582 -14.578 -4.52732 -16.1783 TIMING: 1926800 CPU: 5810.72, 0.00301454/step Wall: 5810.72, 0.00301454/step, 2.57342 hours remaining, 209.957031 MB of memory in use. ENERGY: 1926800 715.2462 2116.6004 1944.9383 113.5822 -206423.0032 17962.8941 0.0000 0.0000 34164.7441 -149404.9979 298.3692 -183569.7420 -149310.4357 298.8134 167.4684 202.9500 558134.8068 8.7081 8.7904 PRESSURE: 1927000 170.897 35.7169 17.3125 35.7162 222.864 -75.504 17.3124 -75.5028 -22.4408 GPRESSURE: 1927000 221.959 70.9271 -28.541 -14.7578 292.019 -84.0393 47.5111 -58.8857 -51.6113 PRESSAVG: 1927000 15.3508 18.7731 8.80434 18.7731 -15.8977 -60.3084 8.80437 -60.3083 -20.8714 GPRESSAVG: 1927000 15.3454 21.9247 8.6289 17.1725 -15.0202 -56.6424 6.40775 -62.0001 -21.7676 TIMING: 1927000 CPU: 5811.32, 0.0030175/step Wall: 5811.32, 0.0030175/step, 2.57577 hours remaining, 209.957031 MB of memory in use. ENERGY: 1927000 782.1806 2030.6568 1898.1348 92.2157 -206766.5119 18285.1520 0.0000 0.0000 34139.2744 -149538.8976 298.1468 -183678.1720 -149443.6719 298.7344 123.7733 154.1224 559105.1311 -7.1394 -7.1474 PRESSURE: 1927200 123.889 41.3045 -129.347 41.3041 151.471 -7.21697 -129.347 -7.21743 -136.349 GPRESSURE: 1927200 169.635 71.9836 -148.669 77.6902 193.718 -27.2091 -62.0237 -3.1001 -133.879 PRESSAVG: 1927200 -24.6321 2.85911 -10.5755 2.85913 56.0572 41.7728 -10.5755 41.7727 -5.71517 GPRESSAVG: 1927200 -24.2449 0.954283 -10.9622 3.22113 57.5826 40.2863 -6.92427 42.8719 -7.31348 TIMING: 1927200 CPU: 5811.92, 0.00300751/step Wall: 5811.92, 0.00300751/step, 2.56708 hours remaining, 209.957031 MB of memory in use. ENERGY: 1927200 744.3566 2071.0519 1947.4746 102.2956 -206398.2176 18013.4767 0.0000 0.0000 34103.1497 -149416.4126 297.8313 -183519.5623 -149323.5243 297.4802 46.3367 76.4914 558529.4183 8.5700 8.6747 PRESSURE: 1927400 -54.5929 -139.454 26.6438 -139.453 86.1947 -62.3953 26.6435 -62.396 154.112 GPRESSURE: 1927400 65.1065 -126.246 -28.2814 -173.874 81.3928 -82.7176 79.24 -3.45305 128.644 PRESSAVG: 1927400 -16.3702 -6.44228 -48.4558 -6.44233 40.0924 14.1104 -48.4558 14.1104 -39.3531 GPRESSAVG: 1927400 -16.7326 -7.49765 -48.9429 -5.52805 39.3034 13.0761 -49.4656 15.3358 -38.1616 TIMING: 1927400 CPU: 5812.53, 0.00301998/step Wall: 5812.53, 0.00301998/step, 2.57755 hours remaining, 209.957031 MB of memory in use. ENERGY: 1927400 783.1055 2086.6949 1931.1481 129.5420 -206237.7809 17966.8058 0.0000 0.0000 34222.3493 -149118.1354 298.8723 -183340.4847 -149020.6860 298.5450 61.9047 91.7144 557618.0400 -5.2103 -5.1970 PRESSURE: 1927600 -82.9339 26.9852 -110.778 26.9854 289.267 99.0346 -110.779 99.0353 66.7093 GPRESSURE: 1927600 -69.4487 -9.70015 -65.5805 -2.181 319.059 46.5998 -146.094 170.22 120.833 PRESSAVG: 1927600 -29.0656 -17.1728 7.70925 -17.1727 27.1049 33.2167 7.70917 33.2167 -0.241635 GPRESSAVG: 1927600 -30.3411 -15.7027 9.23305 -17.6261 28.3912 34.8342 5.6694 31.9289 -0.216197 TIMING: 1927600 CPU: 5813.13, 0.00301944/step Wall: 5813.13, 0.00301944/step, 2.57693 hours remaining, 209.957031 MB of memory in use. ENERGY: 1927600 731.1798 2131.9550 1920.0024 101.1079 -206297.7032 18027.5285 0.0000 0.0000 34130.0720 -149255.8576 298.0664 -183385.9296 -149160.6976 298.4376 91.0143 123.4812 558339.8959 -0.7341 -0.7221 PRESSURE: 1927800 -302.88 36.6317 -73.0804 36.6326 -255.868 -2.11738 -73.0815 -2.117 75.7065 GPRESSURE: 1927800 -257.406 29.6978 -80.4184 71.3189 -223.168 -11.0549 -117.038 7.1537 97.4324 PRESSAVG: 1927800 17.9821 22.0317 -4.10527 22.0317 -55.3418 -0.1115 -4.10537 -0.111501 24.3108 GPRESSAVG: 1927800 18.3308 22.0813 -3.62599 22.4271 -55.5069 -0.1046 -3.5508 -0.184068 24.1464 TIMING: 1927800 CPU: 5813.73, 0.00301624/step Wall: 5813.73, 0.00301624/step, 2.57403 hours remaining, 209.957031 MB of memory in use. ENERGY: 1927800 743.5696 2099.9419 1914.6669 119.4179 -206166.0900 17722.9102 0.0000 0.0000 34287.1134 -149278.4701 299.4379 -183565.5835 -149186.8906 298.8951 -161.0138 -127.7141 559358.4219 -4.3496 -4.3432 PRESSURE: 1928000 -304.214 -15.153 -114.609 -15.1525 -16.7787 2.04832 -114.608 2.04968 149.827 GPRESSURE: 1928000 -241.072 -63.363 -63.5031 -16.2687 32.9976 -14.1368 -138.387 -21.2824 134.429 PRESSAVG: 1928000 -13.2499 -4.00877 -13.3899 -4.00874 -8.51067 10.4264 -13.3898 10.4262 55.2246 GPRESSAVG: 1928000 -11.8983 -3.18521 -16.1544 -3.78995 -9.66889 10.2833 -11.5681 9.40779 54.8138 TIMING: 1928000 CPU: 5814.33, 0.00299753/step Wall: 5814.33, 0.00299753/step, 2.55789 hours remaining, 209.957031 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: 1928000 759.3005 2052.2179 1929.2597 119.1021 -206288.9985 17695.5055 0.0000 0.0000 34586.0791 -149147.5336 302.0488 -183733.6127 -149052.5773 298.9235 -57.0552 -24.5484 557519.8071 11.1547 11.0822 PRESSURE: 1928200 118.354 59.8738 82.5856 59.873 2.66702 -74.2116 82.5862 -74.2123 -86.37 GPRESSURE: 1928200 165.062 38.6296 21.1418 85.7306 25.666 -101.983 136.3 -1.37812 -44.3721 PRESSAVG: 1928200 -24.6968 11.7405 -11.1038 11.7405 38.1188 59.63 -11.1039 59.63 -13.8979 GPRESSAVG: 1928200 -26.8625 10.888 -9.21106 11.0927 38.7429 60.5764 -12.4131 59.4473 -13.001 TIMING: 1928200 CPU: 5814.93, 0.00299916/step Wall: 5814.93, 0.00299916/step, 2.55911 hours remaining, 209.957031 MB of memory in use. ENERGY: 1928200 734.8262 2086.8876 1929.9717 118.1198 -205879.6186 17703.0783 0.0000 0.0000 34074.9799 -149231.7550 297.5853 -183306.7350 -149137.4287 299.6597 11.5503 48.7852 557067.5933 -0.1586 -0.3735 LDB: ============= START OF LOAD BALANCING ============== 5818.45 LDB: ============== END OF LOAD BALANCING =============== 5818.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5818.45 LDB: ============= START OF LOAD BALANCING ============== 5818.75 LDB: Largest compute 4772 load 0.028907 is 24.5% of average load 0.118051 LDB: Average compute 0.001731 is 1.5% of average load 0.118051 LDB: TIME 5818.75 LOAD: AVG 0.118051 MAX 0.206929 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.504 MB LDB: TIME 5818.75 LOAD: AVG 0.118051 MAX 0.206929 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.504 MB LDB: TIME 5818.75 LOAD: AVG 0.118051 MAX 0.206929 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.504 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5818.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5818.76 PRESSURE: 1928400 -256.567 74.6078 147.3 74.6064 292.023 75.2579 147.3 75.2583 -5.36771 GPRESSURE: 1928400 -232.334 137.064 97.0962 38.3762 319.878 102.501 132.697 63.9902 34.7552 PRESSAVG: 1928400 -46.2234 47.8571 -13.5427 47.8571 9.8663 -4.51255 -13.5427 -4.51268 37.2169 GPRESSAVG: 1928400 -45.733 47.1953 -13.9903 48.7918 8.72626 -4.95466 -12.6741 -6.24767 37.9536 TIMING: 1928400 CPU: 5815.54, 0.00304291/step Wall: 5815.54, 0.00304291/step, 2.59628 hours remaining, 208.015625 MB of memory in use. ENERGY: 1928400 763.7973 2031.8916 1942.4439 112.7573 -206485.3598 17907.3654 0.0000 0.0000 34452.1222 -149274.9821 300.8790 -183727.1043 -149179.3114 299.6187 10.0297 40.7665 556055.7196 0.2866 0.3156 PRESSURE: 1928600 -134.407 133.527 95.5225 133.526 75.0866 99.3935 95.5217 99.3919 169.96 GPRESSURE: 1928600 -89.4454 113.652 73.0138 135.613 148.849 71.7489 141.195 135.47 140.035 PRESSAVG: 1928600 -62.2509 7.86617 54.8997 7.8662 18.2958 -40.685 54.8997 -40.685 43.2104 GPRESSAVG: 1928600 -61.8838 8.09249 55.0679 6.99968 20.1239 -40.609 54.6787 -38.1888 40.8353 TIMING: 1928600 CPU: 5816.14, 0.00300963/step Wall: 5816.14, 0.00300963/step, 2.56772 hours remaining, 208.218750 MB of memory in use. ENERGY: 1928600 752.7492 2090.6129 1926.9264 121.8714 -206058.6627 17777.4212 0.0000 0.0000 34106.6114 -149282.4703 297.8615 -183389.0816 -149185.4706 299.5622 36.8799 66.4795 557237.3314 -0.2483 -0.3082 PRESSURE: 1928800 -78.7576 -101.688 213.077 -101.687 93.0992 55.619 213.077 55.6189 -34.9027 GPRESSURE: 1928800 -36.4341 -45.7127 179.313 -9.83893 116.903 103.954 136.108 15.7469 -8.38469 PRESSAVG: 1928800 -24.2713 12.594 29.6949 12.5941 -4.77526 -4.92259 29.6948 -4.92256 33.778 GPRESSAVG: 1928800 -23.7631 14.1287 29.6147 10.9981 -6.56757 -3.64817 28.4625 -5.02878 34.9822 TIMING: 1928800 CPU: 5816.75, 0.00303748/step Wall: 5816.75, 0.00303748/step, 2.59131 hours remaining, 208.218750 MB of memory in use. ENERGY: 1928800 739.1784 2103.8306 1942.8650 116.6643 -205754.4816 17606.9730 0.0000 0.0000 34055.3993 -149189.5709 297.4143 -183244.9703 -149093.6406 299.5512 -6.8537 24.0280 558963.2222 1.5772 1.5505 PRESSURE: 1929000 -115.442 68.7004 -92.3925 68.7011 -30.0055 -173.449 -92.3937 -173.45 -4.51812 GPRESSURE: 1929000 -118.235 54.958 -32.0329 78.7475 55.2222 -200.809 -22.4402 -153.903 7.53254 PRESSAVG: 1929000 -10.5638 29.3011 -33.447 29.3011 -40.0079 61.1522 -33.4469 61.1522 39.8242 GPRESSAVG: 1929000 -11.4216 29.6772 -33.4994 30.5606 -37.6678 58.9869 -30.189 62.1875 38.1792 TIMING: 1929000 CPU: 5817.35, 0.00301087/step Wall: 5817.35, 0.00301087/step, 2.56844 hours remaining, 208.218750 MB of memory in use. ENERGY: 1929000 737.9498 2101.8746 1931.7835 112.4073 -206626.6434 17932.0675 0.0000 0.0000 34468.1843 -149342.3764 301.0192 -183810.5607 -149242.3246 298.7778 -49.9884 -18.4936 558383.3211 -3.5825 -3.6367 PRESSURE: 1929200 127.938 -3.25834 108.731 -3.25843 56.8544 21.9612 108.732 21.9609 10.892 GPRESSURE: 1929200 177.836 -70.3273 148.609 12.1801 75.9195 1.41 113.506 22.4567 43.1735 PRESSAVG: 1929200 25.7722 -57.1707 -11.5956 -57.1706 -18.1971 -9.43521 -11.5956 -9.43526 13.7063 GPRESSAVG: 1929200 26.5651 -56.7357 -12.0324 -59.3716 -20.3048 -10.388 -13.2175 -9.17198 15.3021 TIMING: 1929200 CPU: 5817.95, 0.00300137/step Wall: 5817.95, 0.00300137/step, 2.56017 hours remaining, 208.218750 MB of memory in use. ENERGY: 1929200 734.1053 2074.9196 1945.1492 111.8870 -206033.9816 17694.0018 0.0000 0.0000 34225.9144 -149248.0044 298.9034 -183473.9188 -149152.7510 299.2338 65.2280 98.9762 558546.5071 7.0938 7.1874 PRESSURE: 1929400 -191.452 -77.3692 128.117 -77.3711 -90.8368 14.5236 128.116 14.5242 -191.896 GPRESSURE: 1929400 -154.657 -93.4484 148.946 -82.7514 -40.1149 35.3118 61.7012 -29.8998 -187.407 PRESSAVG: 1929400 -38.5805 -32.293 79.7843 -32.2929 -39.8138 1.01251 79.7843 1.01247 67.1327 GPRESSAVG: 1929400 -39.7786 -34.5911 82.5636 -28.2529 -37.544 2.62782 77.9127 1.64544 65.3903 TIMING: 1929400 CPU: 5818.55, 0.00299489/step Wall: 5818.55, 0.00299489/step, 2.55447 hours remaining, 208.218750 MB of memory in use. ENERGY: 1929400 772.6322 2044.1502 1923.4882 114.7033 -205916.9681 17503.0604 0.0000 0.0000 34247.6122 -149311.3216 299.0929 -183558.9339 -149209.9392 298.8855 -158.0616 -127.3930 557231.2073 -3.7539 -3.9774 PRESSURE: 1929600 85.33 37.1959 34.726 37.1963 20.5107 -27.8352 34.726 -27.835 -211.132 GPRESSURE: 1929600 103.812 54.2644 -40.0855 -4.33576 61.9713 102.346 107.303 -64.9212 -180.05 PRESSAVG: 1929600 13.2759 -46.62 -6.47744 -46.62 40.1163 -33.1012 -6.47747 -33.1012 -65.1143 GPRESSAVG: 1929600 14.0475 -46.0708 -8.07399 -49.7237 38.11 -34.9491 -4.90954 -32.951 -64.3768 TIMING: 1929600 CPU: 5819.15, 0.00297938/step Wall: 5819.15, 0.00297938/step, 2.54108 hours remaining, 208.218750 MB of memory in use. ENERGY: 1929600 747.7946 2114.6236 1909.8057 124.7679 -206009.0696 17646.5486 0.0000 0.0000 34309.6645 -149155.8648 299.6348 -183465.5292 -149057.4199 298.4156 -35.0972 -4.7556 556424.4896 -3.9074 -4.0731 PRESSURE: 1929800 -366.277 60.3356 56.7639 60.3358 -458.696 -37.6012 56.7628 -37.6022 -57.8589 GPRESSURE: 1929800 -325.691 24.5786 111.629 23.936 -396.103 -57.1861 48.7872 47.7118 -46.5677 PRESSAVG: 1929800 2.27101 -27.5953 -34.4482 -27.5954 53.3756 10.9998 -34.4483 10.9998 -21.4285 GPRESSAVG: 1929800 1.80965 -28.1135 -33.8157 -26.4763 53.9143 11.8719 -35.7625 9.39923 -21.5773 TIMING: 1929800 CPU: 5819.75, 0.00298371/step Wall: 5819.75, 0.00298371/step, 2.54461 hours remaining, 208.218750 MB of memory in use. ENERGY: 1929800 777.8279 2052.3607 1946.5464 123.3332 -205463.0725 17373.8225 0.0000 0.0000 34044.3705 -149144.8113 297.3180 -183189.1818 -149037.6019 299.6143 -294.2772 -256.1208 558906.4660 11.4060 11.3822 PRESSURE: 1930000 154.722 18.8096 59.4815 18.8091 111.667 94.0277 59.4821 94.0264 -141.556 GPRESSURE: 1930000 173.118 8.73952 89.5844 71.6925 126.276 46.2599 7.6845 146.766 -72.7096 PRESSAVG: 1930000 38.0379 34.1642 5.33155 34.1641 -4.94685 40.1803 5.33171 40.1803 -53.8959 GPRESSAVG: 1930000 38.12 35.0677 3.46818 33.7836 -4.89665 39.4791 6.58761 38.7197 -54.2111 TIMING: 1930000 CPU: 5820.34, 0.00298987/step Wall: 5820.34, 0.00298987/step, 2.54969 hours remaining, 208.421875 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: 1930000 720.5774 2101.8462 1937.8120 105.6005 -206132.4388 17853.2811 0.0000 0.0000 34321.4933 -149091.8282 299.7381 -183413.3215 -148995.0907 299.3075 41.6110 75.5614 559334.4267 -6.9350 -6.9959 PRESSURE: 1930200 -269.847 64.6281 12.4824 64.6285 33.9996 130.354 12.4819 130.353 31.6234 GPRESSURE: 1930200 -198.816 45.6673 3.05926 66.4533 33.3216 154.39 92.3744 108.615 60.1227 PRESSAVG: 1930200 10.1898 -32.0574 10.5146 -32.0575 -24.5218 -12.8962 10.5146 -12.8962 31.8707 GPRESSAVG: 1930200 10.0276 -33.3127 10.5836 -30.6641 -24.1267 -12.9273 11.6372 -11.5463 30.6767 TIMING: 1930200 CPU: 5820.94, 0.00299414/step Wall: 5820.94, 0.00299414/step, 2.55317 hours remaining, 208.421875 MB of memory in use. ENERGY: 1930200 718.1953 2118.1101 1920.9055 117.4393 -206032.0731 17763.8252 0.0000 0.0000 34223.6689 -149169.9287 298.8838 -183393.5976 -149067.4870 299.0900 -68.0748 -35.1239 558746.4632 5.8463 5.5259 PRESSURE: 1930400 -85.0074 19.8945 -98.8311 19.8954 -132.105 -18.8265 -98.8308 -18.8266 -245.677 GPRESSURE: 1930400 -47.6056 -71.683 -71.9698 -19.5525 -140.498 -87.074 -91.7609 -27.8817 -174.563 PRESSAVG: 1930400 -5.52471 25.9987 -8.11466 25.9986 27.0813 12.2484 -8.11454 12.2484 6.69679 GPRESSAVG: 1930400 -6.33412 24.5783 -6.89498 26.5372 26.8279 12.8508 -9.68226 13.2951 7.22366 TIMING: 1930400 CPU: 5821.55, 0.00302293/step Wall: 5821.55, 0.00302293/step, 2.57755 hours remaining, 208.421875 MB of memory in use. ENERGY: 1930400 797.9242 2090.0657 1950.3971 123.8633 -206077.9997 17595.9683 0.0000 0.0000 34205.5845 -149314.1965 298.7259 -183519.7810 -149214.2973 298.6081 -154.2631 -120.8890 557392.7162 9.4178 9.2391 PRESSURE: 1930600 -96.8222 -93.1657 -88.6598 -93.166 -75.5665 152.279 -88.6592 152.28 -278.473 GPRESSURE: 1930600 -79.6629 -37.2564 -172.462 -167.129 -61.6047 131.962 -71.0468 146.064 -205.677 PRESSAVG: 1930600 54.8888 48.7576 -43.481 48.7577 44.2122 6.94242 -43.4809 6.94249 -91.7667 GPRESSAVG: 1930600 54.6879 49.4145 -44.3295 47.6462 42.9837 6.68353 -44.1997 7.41762 -90.0529 TIMING: 1930600 CPU: 5822.15, 0.00301545/step Wall: 5822.15, 0.00301545/step, 2.57101 hours remaining, 208.421875 MB of memory in use. ENERGY: 1930600 718.3340 2088.1425 1945.7752 108.0654 -206301.1475 17634.2894 0.0000 0.0000 34601.5448 -149204.9961 302.1839 -183806.5409 -149105.4005 299.1474 -150.2872 -115.6482 558817.1454 2.4448 2.5396 PRESSURE: 1930800 -147.872 25.5936 107.506 25.5935 -33.4006 216.547 107.506 216.547 -110.988 GPRESSURE: 1930800 -80.9276 -0.429402 101.021 118.117 4.28253 179.464 78.6284 254.856 -119.396 PRESSAVG: 1930800 35.3826 2.56513 -8.98866 2.56519 -27.2269 7.34 -8.98865 7.34016 -11.7324 GPRESSAVG: 1930800 35.6329 2.6311 -9.04092 3.0288 -25.4165 8.59245 -7.60832 5.72242 -13.4696 TIMING: 1930800 CPU: 5822.75, 0.00301858/step Wall: 5822.75, 0.00301858/step, 2.57351 hours remaining, 208.421875 MB of memory in use. ENERGY: 1930800 747.8741 2095.8157 1932.6554 115.7132 -206068.2595 17524.0608 0.0000 0.0000 34377.5106 -149274.6297 300.2274 -183652.1403 -149176.5892 299.9208 -97.4201 -65.3470 555552.4291 -1.1922 -1.0844 PRESSURE: 1931000 17.8414 -67.8838 -5.0303 -67.8832 -38.0053 217.769 -5.02978 217.769 -78.2537 GPRESSURE: 1931000 56.1327 -135.64 -56.5018 -6.40116 23.3868 192.211 -71.0529 235.6 -77.2216 PRESSAVG: 1931000 51.028 -14.4098 39.2467 -14.4098 5.74613 52.2665 39.2468 52.2664 -36.7928 GPRESSAVG: 1931000 51.2641 -14.321 39 -13.3978 4.82154 51.7517 38.6182 52.3275 -35.5471 TIMING: 1931000 CPU: 5823.36, 0.00301185/step Wall: 5823.36, 0.00301185/step, 2.5676 hours remaining, 208.421875 MB of memory in use. ENERGY: 1931000 713.6917 2069.9370 1934.0991 108.7375 -206024.8741 17638.9610 0.0000 0.0000 34379.7162 -149179.7316 300.2466 -183559.4478 -149085.8025 299.8275 -32.8058 0.7660 556710.8505 6.6604 6.8462 PRESSURE: 1931200 -198.023 69.4125 103.563 69.4126 -180.164 24.5944 103.563 24.5952 -408.83 GPRESSURE: 1931200 -167.772 131.451 92.8046 -32.2369 -120.674 60.5558 208.007 27.6534 -385.778 PRESSAVG: 1931200 -3.38498 -56.0162 -18.8668 -56.0161 17.5976 48.5794 -18.8669 48.5793 12.5427 GPRESSAVG: 1931200 -3.90348 -53.9455 -18.1334 -57.8175 18.2689 48.4504 -18.776 48.9182 12.4244 TIMING: 1931200 CPU: 5823.96, 0.00300594/step Wall: 5823.96, 0.00300594/step, 2.5624 hours remaining, 208.421875 MB of memory in use. ENERGY: 1931200 762.6259 2085.6588 1939.8230 114.0343 -206162.3157 17554.1472 0.0000 0.0000 34435.1290 -149270.8974 300.7305 -183706.0265 -149182.0191 299.5252 -262.3392 -224.7411 556612.2642 8.9185 8.9299 PRESSURE: 1931400 -89.7459 143.031 -68.4752 143.032 -236.868 -158.14 -68.4763 -158.14 -177.915 GPRESSURE: 1931400 -102.067 165.696 -53.9521 154.765 -206.705 -124.054 -66.0216 -101.462 -99.2582 PRESSAVG: 1931400 -1.48098 -23.3074 -3.53591 -23.3074 -27.2897 21.1045 -3.53593 21.1045 31.9718 GPRESSAVG: 1931400 -0.916099 -26.1906 -3.20594 -22.7159 -28.9928 20.1544 -3.75463 22.3148 32.5858 TIMING: 1931400 CPU: 5824.56, 0.00299385/step Wall: 5824.56, 0.00299385/step, 2.55192 hours remaining, 208.421875 MB of memory in use. ENERGY: 1931400 780.8496 2113.7025 1932.1287 109.3187 -205776.0363 17476.5162 0.0000 0.0000 34322.0407 -149041.4799 299.7429 -183363.5206 -148952.3829 299.8422 -168.1763 -136.0100 556355.7305 1.0670 0.8923 PRESSURE: 1931600 -154.497 -33.4919 118.755 -33.4932 -339.564 27.275 118.756 27.2753 40.9981 GPRESSURE: 1931600 -108.163 7.38366 17.8076 -84.8497 -323.086 89.8131 151.93 -46.8901 74.0618 PRESSAVG: 1931600 3.85527 5.10017 -35.4108 5.10004 -65.5371 9.57977 -35.4109 9.57974 71.8301 GPRESSAVG: 1931600 3.00892 7.01758 -34.4267 5.19512 -65.2043 9.6668 -37.1708 8.63869 72.4036 TIMING: 1931600 CPU: 5825.15, 0.00296775/step Wall: 5825.15, 0.00296775/step, 2.52951 hours remaining, 208.421875 MB of memory in use. ENERGY: 1931600 718.4615 2151.3485 1925.3859 125.9125 -206105.5115 17546.2955 0.0000 0.0000 34582.5762 -149055.5314 302.0182 -183638.1076 -148959.7685 300.1060 -151.0212 -119.0625 556706.6948 3.3827 3.4027 PRESSURE: 1931800 -55.9845 141.149 -67.8549 141.149 80.6408 57.0769 -67.8557 57.0756 -51.8364 GPRESSURE: 1931800 -5.29638 134.363 -54.4845 141.201 146.966 19.2035 -41.1772 32.4478 -69.7725 PRESSAVG: 1931800 -4.17483 -44.1442 -2.95572 -44.1442 59.4186 46.1603 -2.95575 46.1602 -57.7727 GPRESSAVG: 1931800 -3.48556 -44.6628 -4.35446 -44.614 59.0964 45.3827 -0.00317418 46.4141 -58.5524 TIMING: 1931800 CPU: 5825.75, 0.00299927/step Wall: 5825.75, 0.00299927/step, 2.55622 hours remaining, 208.421875 MB of memory in use. ENERGY: 1931800 736.2944 2152.3974 1928.3593 115.5744 -205909.8098 17638.4766 0.0000 0.0000 34176.3363 -149162.3714 298.4704 -183338.7077 -149067.0557 300.3392 -9.0600 23.9657 557108.7878 -0.8430 -0.9805 PRESSURE: 1932000 -4.4252 154.289 22.3072 154.289 51.3247 74.0572 22.307 74.0584 -61.2113 GPRESSURE: 1932000 -8.79753 117.502 -11.0374 88.9983 65.4758 126.371 2.20947 80.7227 24.7786 PRESSAVG: 1932000 -34.561 14.9569 -25.0288 14.9569 33.7267 20.9178 -25.0287 20.9179 79.1151 GPRESSAVG: 1932000 -34.7939 14.8395 -25.1311 15.8269 33.4684 21.0724 -25.4841 22.1787 79.88 TIMING: 1932000 CPU: 5826.35, 0.00300638/step Wall: 5826.35, 0.00300638/step, 2.56211 hours remaining, 208.421875 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: 1932000 732.2263 2096.0902 1948.7454 109.3999 -206179.8236 17883.5082 0.0000 0.0000 34337.8159 -149072.0377 299.8807 -183409.8537 -148971.8211 299.5004 -4.7706 27.1523 556549.2246 26.0936 26.1849 PRESSURE: 1932200 16.9126 48.4329 -55.9011 48.433 28.3637 -27.6219 -55.9016 -27.6236 53.1988 GPRESSURE: 1932200 -0.493187 96.9937 8.21279 42.4582 100.315 -103.621 -14.6412 44.2535 120.076 PRESSAVG: 1932200 -20.4508 14.8352 21.3854 14.8351 -20.1348 6.37366 21.3855 6.37362 -8.08322 GPRESSAVG: 1932200 -20.2488 15.4419 23.1613 13.4243 -18.1263 6.94698 19.778 6.21006 -9.84485 TIMING: 1932200 CPU: 5826.95, 0.00299789/step Wall: 5826.95, 0.00299789/step, 2.5547 hours remaining, 208.421875 MB of memory in use. ENERGY: 1932200 745.5500 2157.1269 1931.3716 99.4306 -206130.9575 17933.9180 0.0000 0.0000 34187.6239 -149075.9364 298.5690 -183263.5603 -148974.5610 299.2836 32.8250 73.2993 557929.3320 -16.2229 -16.0733 LDB: ============= START OF LOAD BALANCING ============== 5830.47 LDB: ============== END OF LOAD BALANCING =============== 5830.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5830.47 LDB: ============= START OF LOAD BALANCING ============== 5830.77 LDB: Largest compute 4800 load 0.029024 is 24.6% of average load 0.118019 LDB: Average compute 0.001738 is 1.5% of average load 0.118019 LDB: TIME 5830.77 LOAD: AVG 0.118019 MAX 0.206161 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.27 MB LDB: TIME 5830.77 LOAD: AVG 0.118019 MAX 0.206161 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.473 MB LDB: TIME 5830.77 LOAD: AVG 0.118019 MAX 0.206161 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.473 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5830.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5830.78 PRESSURE: 1932400 -61.9578 -64.4079 -31.6986 -64.4083 -84.0393 75.8616 -31.6991 75.8622 214.397 GPRESSURE: 1932400 -59.674 -92.8629 -61.314 -95.3066 -66.1655 46.2154 -102.605 113.481 285.158 PRESSAVG: 1932400 -79.9801 -13.7835 -29.6599 -13.7835 28.4119 -3.67871 -29.6599 -3.67863 61.7031 GPRESSAVG: 1932400 -80.1439 -14.8852 -30.9278 -14.2226 26.8098 -2.49758 -28.3194 -5.9511 62.8062 TIMING: 1932400 CPU: 5827.56, 0.00305764/step Wall: 5827.56, 0.00305764/step, 2.60545 hours remaining, 209.359375 MB of memory in use. ENERGY: 1932400 729.4108 2147.9236 1945.8744 114.4925 -205804.0319 17654.7899 0.0000 0.0000 34375.6474 -148835.8933 300.2111 -183211.5407 -148741.0748 300.2626 22.8000 53.1063 557469.2891 3.3783 3.1574 PRESSURE: 1932600 -47.5481 115.906 96.7933 115.906 -264.841 -175.479 96.7933 -175.478 -169.084 GPRESSURE: 1932600 -28.4889 129.335 119.287 61.2915 -184.657 -224.919 95.479 -130.826 -176.162 PRESSAVG: 1932600 9.36122 13.5742 27.5103 13.5743 -53.1607 -17.5128 27.5103 -17.5128 65.5949 GPRESSAVG: 1932600 9.37612 14.3492 27.3271 15.1134 -53.5457 -19.1506 27.5592 -15.5408 65.9105 TIMING: 1932600 CPU: 5828.16, 0.00300044/step Wall: 5828.16, 0.00300044/step, 2.55654 hours remaining, 209.562500 MB of memory in use. ENERGY: 1932600 785.1770 2104.0442 1898.5603 105.3641 -206055.3066 17762.4349 0.0000 0.0000 34469.3132 -148930.4130 301.0291 -183399.7261 -148833.0675 299.9383 -160.4909 -129.7695 557876.4576 7.2651 7.2470 PRESSURE: 1932800 -29.5746 -44.4077 -1.51427 -44.4072 -41.5688 -125.572 -1.51485 -125.572 45.3732 GPRESSURE: 1932800 -38.6118 -55.6756 62.5173 -68.9011 20.3732 -119.856 15.0881 -141.723 85.7176 PRESSAVG: 1932800 18.3805 18.2253 69.0601 18.2253 -74.8099 -1.0432 69.0602 -1.04331 -53.5798 GPRESSAVG: 1932800 18.6019 18.6207 71.498 18.7748 -73.7597 1.52442 68.891 -3.33029 -54.7115 TIMING: 1932800 CPU: 5828.76, 0.00300249/step Wall: 5828.76, 0.00300249/step, 2.55812 hours remaining, 209.562500 MB of memory in use. ENERGY: 1932800 710.0290 2154.2788 1907.1714 101.9118 -205899.7688 17731.4568 0.0000 0.0000 34279.0706 -149015.8503 299.3676 -183294.9209 -148915.0012 300.4286 -8.5900 22.4930 558740.9588 -36.6697 -36.6231 PRESSURE: 1933000 -6.1081 10.6229 153.281 10.6229 -110.535 7.83753 153.28 7.83623 -211.241 GPRESSURE: 1933000 31.825 -61.1002 164.249 49.8895 -122.324 51.3773 143.652 -52.5407 -131.058 PRESSAVG: 1933000 42.9345 33.7044 -20.9345 33.7044 40.1739 -23.152 -20.9345 -23.152 -48.501 GPRESSAVG: 1933000 44.3782 34.1416 -25.1004 33.056 39.0918 -25.8822 -20.2473 -19.8282 -48.5428 TIMING: 1933000 CPU: 5829.37, 0.00301501/step Wall: 5829.37, 0.00301501/step, 2.56862 hours remaining, 209.562500 MB of memory in use. ENERGY: 1933000 766.3732 2113.2439 1952.0423 100.3849 -206121.5691 17778.5750 0.0000 0.0000 34389.5333 -149021.4166 300.3323 -183410.9498 -148932.9046 299.8214 -109.2947 -73.8524 558242.7441 11.5358 11.6424 PRESSURE: 1933200 -213.338 84.9573 -55.4375 84.9556 -37.465 76.2127 -55.4361 76.2111 -34.4037 GPRESSURE: 1933200 -233.13 75.1911 -37.2223 95.5891 21.8092 108.983 -40.4025 57.1668 23.4949 PRESSAVG: 1933200 -31.7296 11.8459 -50.0526 11.8459 107.048 -18.2692 -50.0525 -18.2693 -52.3506 GPRESSAVG: 1933200 -32.1949 11.3043 -48.9 12.4968 105.532 -17.878 -50.1924 -20.2199 -50.1059 TIMING: 1933200 CPU: 5829.97, 0.0030088/step Wall: 5829.97, 0.0030088/step, 2.56317 hours remaining, 209.562500 MB of memory in use. ENERGY: 1933200 723.9507 2159.5462 1904.8784 106.9154 -206099.8869 17771.0419 0.0000 0.0000 34372.7640 -149060.7902 300.1859 -183433.5542 -148967.3760 300.0412 -95.0688 -62.6088 558659.6160 7.6558 7.7438 PRESSURE: 1933400 -323.804 21.0032 -203.828 21.0027 37.9714 20.0095 -203.83 20.0081 -73.2938 GPRESSURE: 1933400 -283.465 -16.9586 -224.742 13.1843 41.5422 96.5414 -138.063 -15.9022 -12.9032 PRESSAVG: 1933400 -52.3804 -5.18268 -48.2805 -5.1826 26.5101 -6.37517 -48.2804 -6.37517 58.2819 GPRESSAVG: 1933400 -53.2353 -6.98248 -47.859 -3.61385 27.5417 -5.46466 -49.2373 -5.62594 58.2666 TIMING: 1933400 CPU: 5830.57, 0.0030225/step Wall: 5830.57, 0.0030225/step, 2.57467 hours remaining, 209.562500 MB of memory in use. ENERGY: 1933400 723.9592 2087.0181 1947.9298 122.1297 -205905.5541 17593.5112 0.0000 0.0000 34442.6183 -148988.3878 300.7960 -183431.0061 -148887.2217 300.6230 -119.7089 -84.9419 558891.2023 10.8039 10.8577 PRESSURE: 1933600 -61.5916 36.1461 157.144 36.1466 6.98678 -121.717 157.144 -121.717 36.9564 GPRESSURE: 1933600 35.3197 33.3584 230.229 -20.705 13.2098 -197.64 150.71 -28.1526 54.5013 PRESSAVG: 1933600 -73.9251 -20.7501 1.48254 -20.7501 88.7845 5.36039 1.48248 5.36043 -13.9528 GPRESSAVG: 1933600 -73.7512 -18.584 2.36308 -21.7879 90.1348 6.25326 0.639427 3.97561 -14.7856 TIMING: 1933600 CPU: 5831.18, 0.00301694/step Wall: 5831.18, 0.00301694/step, 2.56976 hours remaining, 209.562500 MB of memory in use. ENERGY: 1933600 763.0082 2086.1811 1935.2433 110.9681 -206380.4331 17986.5706 0.0000 0.0000 34530.6531 -148967.8086 301.5648 -183498.4618 -148873.8789 299.3470 -5.8828 34.3436 558673.0252 0.3022 0.5326 PRESSURE: 1933800 -139.141 28.4611 -5.34811 28.4607 -246.765 -51.4106 -5.34773 -51.4105 91.1741 GPRESSURE: 1933800 -114.541 119.634 27.8938 -19.457 -208.816 -20.1148 44.6935 -40.9657 119.204 PRESSAVG: 1933800 -26.4108 52.4924 -8.6617 52.4925 45.8316 -8.1469 -8.66159 -8.14684 -34.3687 GPRESSAVG: 1933800 -27.5715 53.4534 -9.69784 52.3841 47.2329 -8.35387 -7.255 -9.24239 -34.4072 TIMING: 1933800 CPU: 5831.78, 0.00300236/step Wall: 5831.78, 0.00300236/step, 2.55718 hours remaining, 209.562500 MB of memory in use. ENERGY: 1933800 741.5898 2136.9116 1947.6574 106.3780 -205838.5035 17680.0197 0.0000 0.0000 34133.3483 -149092.5988 298.0950 -183225.9471 -149004.2836 298.9732 -98.2437 -68.0511 559695.9590 -4.9827 -4.9153 PRESSURE: 1934000 185.693 -54.347 114.177 -54.3465 -64.1439 -5.85772 114.176 -5.85806 -180.478 GPRESSURE: 1934000 138.813 -40.7831 104.845 54.2662 57.5211 8.08601 92.3298 -29.109 -159.548 PRESSAVG: 1934000 -53.7805 -3.07709 5.96933 -3.07697 -33.3934 17.8631 5.96932 17.8631 -0.269401 GPRESSAVG: 1934000 -54.0356 -3.59313 7.70383 -2.53929 -34.3028 17.2555 5.01938 19.0731 1.06852 TIMING: 1934000 CPU: 5832.38, 0.0030433/step Wall: 5832.38, 0.0030433/step, 2.59188 hours remaining, 209.562500 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: 1934000 698.6470 2111.0306 1917.5399 115.5492 -205755.9960 17627.2153 0.0000 0.0000 34430.5889 -148855.4251 300.6909 -183286.0140 -148752.6860 299.6140 -19.6429 12.2621 558839.2080 -29.1478 -29.0900 PRESSURE: 1934200 92.8192 26.0816 -99.9762 26.0818 -111.136 208.421 -99.9754 208.421 14.9307 GPRESSURE: 1934200 134.188 6.04294 -93.7758 -25.6814 -82.4631 185.047 -152.298 332.063 35.2337 PRESSAVG: 1934200 10.5187 23.9914 -23.6276 23.9914 -56.1342 80.3154 -23.6277 80.3154 5.41519 GPRESSAVG: 1934200 10.5472 25.4901 -22.69 23.2275 -55.6595 81.9867 -25.6166 80.7605 4.7766 TIMING: 1934200 CPU: 5833, 0.00307133/step Wall: 5833, 0.00307133/step, 2.61558 hours remaining, 209.562500 MB of memory in use. ENERGY: 1934200 731.7708 2024.9049 1910.1825 106.5252 -205816.2305 17792.8813 0.0000 0.0000 34380.0578 -148869.9079 300.2496 -183249.9658 -148778.0226 300.1447 -1.1287 28.9863 557983.2680 -13.4001 -13.4452 PRESSURE: 1934400 -56.976 28.4217 27.5269 28.4222 175.558 -55.025 27.5275 -55.0255 97.4686 GPRESSURE: 1934400 -30.0731 64.8877 -35.9174 78.0172 198.402 -48.7436 80.0773 -102.956 157.279 PRESSAVG: 1934400 11.874 6.24326 -15.0518 6.24333 39.6355 86.0126 -15.0518 86.0125 -14.9817 GPRESSAVG: 1934400 13.4203 7.44397 -18.1228 6.79941 37.8987 85.7217 -13.3101 86.4123 -15.5332 TIMING: 1934400 CPU: 5833.6, 0.00302933/step Wall: 5833.6, 0.00302933/step, 2.57964 hours remaining, 209.562500 MB of memory in use. ENERGY: 1934400 756.3712 2155.5538 1903.6462 105.6876 -206165.4307 17774.5800 0.0000 0.0000 34432.0331 -149037.5587 300.7035 -183469.5918 -148942.3143 301.0234 72.0168 108.5362 556548.1241 12.1759 11.9286 PRESSURE: 1934600 323.836 116.501 -56.4768 116.501 209.199 15.7744 -56.4757 15.7734 -12.544 GPRESSURE: 1934600 284.004 172.168 -58.9127 100.838 227.688 90.636 -120.277 -113.71 114.532 PRESSAVG: 1934600 -0.452622 -22.9015 -39.9668 -22.9015 -59.8801 -22.4906 -39.9669 -22.4907 65.4659 GPRESSAVG: 1934600 -1.09064 -24.9353 -38.5921 -23.5721 -59.9846 -24.9075 -40.3906 -22.4083 65.471 TIMING: 1934600 CPU: 5834.21, 0.00301076/step Wall: 5834.21, 0.00301076/step, 2.56366 hours remaining, 209.562500 MB of memory in use. ENERGY: 1934600 747.9464 2063.8792 1932.8760 103.9436 -206416.3795 18179.1598 0.0000 0.0000 34398.5747 -148989.9999 300.4113 -183388.5746 -148900.8940 300.5498 173.4970 208.7413 556643.0030 1.7111 1.4652 PRESSURE: 1934800 -65.8165 178.568 -138.489 178.569 66.2992 8.08678 -138.489 8.08438 90.6957 GPRESSURE: 1934800 -15.3921 191.97 -238.406 181.959 75.9122 -13.0647 -87.1525 -73.8265 119.738 PRESSAVG: 1934800 -54.245 24.1188 -48.8937 24.1188 27.3034 14.8588 -48.8938 14.8589 64.0858 GPRESSAVG: 1934800 -56.5948 24.0888 -51.3286 25.5013 28.4118 17.031 -47.0556 14.4061 64.7538 TIMING: 1934800 CPU: 5834.8, 0.00298911/step Wall: 5834.8, 0.00298911/step, 2.54506 hours remaining, 209.562500 MB of memory in use. ENERGY: 1934800 751.1650 2012.7317 1950.7839 107.6559 -206016.1883 17855.8960 0.0000 0.0000 34307.3302 -149030.6255 299.6144 -183337.9558 -148934.6478 299.3020 30.3928 60.0859 557404.2986 12.3814 12.1902 PRESSURE: 1935000 -107.199 178.795 130.609 178.793 -10.5669 -127.535 130.609 -127.535 -59.6154 GPRESSURE: 1935000 -97.4208 185.542 127.095 127.809 36.9945 -160.58 123.547 -149.256 -24.1663 PRESSAVG: 1935000 -44.4218 28.9021 14.4421 28.9022 6.50761 -16.4788 14.4421 -16.4788 4.60405 GPRESSAVG: 1935000 -42.5264 29.38 16.528 27.8136 6.87381 -17.9931 13.4506 -14.786 2.29984 TIMING: 1935000 CPU: 5835.4, 0.00298218/step Wall: 5835.4, 0.00298218/step, 2.53899 hours remaining, 209.562500 MB of memory in use. ENERGY: 1935000 725.9040 2098.3227 1891.2238 101.9333 -205885.1878 17703.4463 0.0000 0.0000 34290.6858 -149073.6719 299.4691 -183364.3578 -148976.5819 299.6502 -59.1271 -28.1976 558329.2833 -11.1034 -11.1176 PRESSURE: 1935200 156.025 66.4895 -115.845 66.491 -31.3517 -236.808 -115.847 -236.807 27.647 GPRESSURE: 1935200 178.621 69.1147 -129.67 56.4327 -9.18592 -238.423 -153.899 -216.115 65.91 PRESSAVG: 1935200 -3.12435 55.8332 -41.971 55.8333 3.77347 -25.8342 -41.971 -25.8341 48.886 GPRESSAVG: 1935200 -2.96321 53.9131 -42.3341 56.7045 2.98481 -23.4241 -40.7518 -28.8135 50.017 TIMING: 1935200 CPU: 5836, 0.00299543/step Wall: 5836, 0.00299543/step, 2.55011 hours remaining, 209.562500 MB of memory in use. ENERGY: 1935200 715.8821 2085.6150 1956.8399 117.8139 -206400.1369 18051.1213 0.0000 0.0000 34439.1925 -149033.6721 300.7660 -183472.8646 -148930.8290 300.4953 50.7735 78.4483 558283.3900 16.5117 16.6795 PRESSURE: 1935400 63.444 -54.13 -156.06 -54.1291 183.585 -125.231 -156.06 -125.233 -0.0569823 GPRESSURE: 1935400 143.092 -83.7731 -47.4946 -62.2931 205.248 -119.333 -223.654 -147.403 -5.51909 PRESSAVG: 1935400 21.6151 12.8979 25.0869 12.898 -53.6177 -14.8419 25.0868 -14.8419 50.278 GPRESSAVG: 1935400 21.1088 15.3389 26.0333 11.623 -53.5279 -15.3941 22.8023 -14.448 50.5822 TIMING: 1935400 CPU: 5836.6, 0.00298486/step Wall: 5836.6, 0.00298486/step, 2.54094 hours remaining, 209.562500 MB of memory in use. ENERGY: 1935400 705.3059 2093.4114 1949.5753 99.6577 -205894.8367 17710.9904 0.0000 0.0000 34323.6154 -149012.2804 299.7567 -183335.8959 -148919.3478 299.4326 82.3240 114.2737 557916.9320 6.0918 6.0544 PRESSURE: 1935600 215.926 -74.4018 -88.172 -74.4015 -125.841 61.8804 -88.1715 61.8796 -390.183 GPRESSURE: 1935600 202.593 -134.92 -107.98 -79.167 -96.627 61.359 -57.1052 39.9233 -308.82 PRESSAVG: 1935600 -18.6467 -19.6974 -11.6523 -19.6974 -10.8768 -8.36656 -11.6523 -8.3667 29.0723 GPRESSAVG: 1935600 -17.9735 -20.9005 -12.7619 -17.5744 -11.1853 -8.56985 -11.5933 -8.26756 28.8317 TIMING: 1935600 CPU: 5837.2, 0.0030042/step Wall: 5837.2, 0.0030042/step, 2.55724 hours remaining, 209.562500 MB of memory in use. ENERGY: 1935600 754.8419 2074.9711 1958.3976 122.9033 -205560.7068 17437.0110 0.0000 0.0000 34210.7087 -149001.8732 298.7706 -183212.5819 -148902.6212 299.7177 -100.0328 -67.6180 557093.2295 -0.1504 -0.1090 PRESSURE: 1935800 -60.3164 27.864 -63.625 27.8646 -17.4539 -86.538 -63.6256 -86.5372 10.3607 GPRESSURE: 1935800 -5.53386 34.2863 -60.0868 36.6794 42.1587 -88.1741 -15.2501 -61.5209 1.1276 PRESSAVG: 1935800 22.2357 48.6476 73.5297 48.6475 39.1376 -4.95022 73.5297 -4.9503 -22.1853 GPRESSAVG: 1935800 21.4476 47.4141 74.855 49.1976 39.0436 -4.86426 74.351 -6.62366 -20.8751 TIMING: 1935800 CPU: 5837.8, 0.00300217/step Wall: 5837.8, 0.00300217/step, 2.55535 hours remaining, 209.562500 MB of memory in use. ENERGY: 1935800 738.4031 2044.2865 1931.8940 111.6465 -205852.2139 17792.7445 0.0000 0.0000 34251.7624 -148981.4769 299.1292 -183233.2393 -148882.7916 299.8411 -22.4699 12.5841 559165.2102 13.0627 13.2053 PRESSURE: 1936000 19.0818 -19.2626 64.5921 -19.2621 65.0901 151.266 64.5936 151.267 -79.5523 GPRESSURE: 1936000 -45.7378 -50.6181 146.877 -17.6625 196.244 70.4634 7.30709 133.075 -36.2124 PRESSAVG: 1936000 38.0971 4.35586 -32.7832 4.35593 -63.5255 33.5052 -32.7831 33.5053 -4.63451 GPRESSAVG: 1936000 37.1257 4.73547 -33.4699 2.08597 -63.0399 34.5348 -34.5561 33.9913 -4.8014 TIMING: 1936000 CPU: 5838.4, 0.00301988/step Wall: 5838.4, 0.00301988/step, 2.57025 hours remaining, 209.562500 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: 1936000 774.3918 2049.4538 1950.6165 113.2211 -206454.4098 18055.7643 0.0000 0.0000 34353.5035 -149157.4587 300.0177 -183510.9622 -149065.7701 299.5914 1.5398 38.0980 557261.7158 -10.0210 -10.2385 PRESSURE: 1936200 230.792 19.9895 67.1864 19.9886 229.042 -97.1277 67.1864 -97.1277 -58.6569 GPRESSURE: 1936200 267.93 39.2963 86.4293 -6.42144 268.475 4.41057 73.6833 -115.681 -30.058 PRESSAVG: 1936200 4.27833 14.7778 2.23067 14.7779 58.4013 61.1571 2.23066 61.1572 -57.3215 GPRESSAVG: 1936200 5.68159 14.8792 3.0147 16.1124 57.3978 59.5847 2.56556 63.5648 -57.6608 TIMING: 1936200 CPU: 5839, 0.00300192/step Wall: 5839, 0.00300192/step, 2.5548 hours remaining, 209.562500 MB of memory in use. ENERGY: 1936200 674.3303 2073.3214 1943.1904 105.1173 -206131.0590 17823.0007 0.0000 0.0000 34440.7842 -149071.3146 300.7799 -183512.0988 -148971.8385 299.5237 133.7257 168.7825 557197.6352 1.7861 1.8062 LDB: ============= START OF LOAD BALANCING ============== 5842.52 LDB: ============== END OF LOAD BALANCING =============== 5842.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5842.52 LDB: ============= START OF LOAD BALANCING ============== 5842.83 LDB: Largest compute 4772 load 0.029168 is 24.7% of average load 0.117999 LDB: Average compute 0.001731 is 1.5% of average load 0.117999 LDB: TIME 5842.83 LOAD: AVG 0.117999 MAX 0.211521 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.016 MB LDB: TIME 5842.83 LOAD: AVG 0.117999 MAX 0.211521 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.219 MB LDB: TIME 5842.83 LOAD: AVG 0.117999 MAX 0.211521 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.219 MB LDB: ============== END OF LOAD BALANCING =============== 5842.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5842.84 PRESSURE: 1936400 -109.5 195.347 48.5223 195.346 -165.326 -143.447 48.5222 -143.447 -169.121 GPRESSURE: 1936400 -69.2314 136.096 50.2167 206.201 -90.0982 -215.107 35.5655 -69.3074 -190.975 PRESSAVG: 1936400 46.3118 -0.597808 1.79307 -0.59795 -60.9356 0.43292 1.79317 0.432975 3.07528 GPRESSAVG: 1936400 45.3496 -1.98967 0.648305 -1.58175 -60.5964 -1.3702 0.726246 0.705927 3.49505 TIMING: 1936400 CPU: 5839.62, 0.00308549/step Wall: 5839.62, 0.00308549/step, 2.62575 hours remaining, 208.785156 MB of memory in use. ENERGY: 1936400 755.4452 2109.9836 1933.3236 112.7288 -205568.2450 17446.1380 0.0000 0.0000 34310.4971 -148900.1288 299.6421 -183210.6259 -148811.5322 300.0152 -147.9823 -116.7683 558043.7900 -3.8495 -3.9173 PRESSURE: 1936600 -16.9032 20.0798 -16.1857 20.0813 178.448 -129.478 -16.1868 -129.476 100.954 GPRESSURE: 1936600 -7.77705 13.5484 -170.945 -4.53797 212.813 -73.5827 108.548 -113.055 150.554 PRESSAVG: 1936600 -11.1584 109.056 -16.3001 109.056 13.6225 -8.66308 -16.3001 -8.66311 -8.54549 GPRESSAVG: 1936600 -11.0701 110.003 -18.1085 108.647 12.6943 -9.02848 -12.3386 -8.93904 -7.50806 TIMING: 1936600 CPU: 5840.23, 0.00302933/step Wall: 5840.23, 0.00302933/step, 2.57779 hours remaining, 208.988281 MB of memory in use. ENERGY: 1936600 724.3641 2059.9320 1944.7397 127.3310 -205916.3955 17952.3572 0.0000 0.0000 34238.8471 -148868.8242 299.0164 -183107.6713 -148769.0456 300.6296 87.4997 118.5300 558746.9175 -2.0271 -1.9613 PRESSURE: 1936800 45.9939 35.0035 -17.1228 35.0037 7.66327 -182.639 -17.1216 -182.64 63.2221 GPRESSURE: 1936800 117.616 2.86994 -75.5488 40.4892 13.7353 -153.897 -3.89656 -240.89 99.2334 PRESSAVG: 1936800 30.5203 6.61784 25.8648 6.61774 -35.0232 -56.4972 25.8648 -56.4972 11.7795 GPRESSAVG: 1936800 30.3911 7.08672 26.4387 5.81148 -34.218 -53.0212 25.0482 -58.6604 11.1279 TIMING: 1936800 CPU: 5840.83, 0.00301842/step Wall: 5840.83, 0.00301842/step, 2.56834 hours remaining, 208.988281 MB of memory in use. ENERGY: 1936800 752.9763 2094.6650 1927.5582 111.7974 -205995.0438 17782.0362 0.0000 0.0000 34483.4350 -148842.5757 301.1524 -183326.0108 -148740.6213 299.9514 38.9598 76.8616 557504.5114 2.4256 2.4337 PRESSURE: 1937000 14.5815 -99.6633 135.633 -99.6639 -115.545 89.2621 135.634 89.2643 -27.6844 GPRESSURE: 1937000 2.03765 -86.5661 115.115 -127.135 -70.7609 46.7279 39.7735 42.7959 31.0847 PRESSAVG: 1937000 -4.88916 -6.7226 22.3508 -6.72269 3.32191 48.7939 22.3508 48.7938 -9.09672 GPRESSAVG: 1937000 -5.41887 -7.45438 23.2055 -6.64047 3.71106 49.8255 23.3339 46.6257 -9.26538 TIMING: 1937000 CPU: 5841.44, 0.00305341/step Wall: 5841.44, 0.00305341/step, 2.59794 hours remaining, 208.988281 MB of memory in use. ENERGY: 1937000 768.1289 2071.3956 1945.0114 104.3139 -205244.8524 17557.4465 0.0000 0.0000 34084.8509 -148713.7052 297.6715 -182798.5561 -148626.3340 300.2204 -42.8825 -12.5462 559413.1606 -3.5547 -3.6577 PRESSURE: 1937200 -199.004 -64.568 -141.843 -64.5664 -400.256 -103.372 -141.842 -103.37 218.352 GPRESSURE: 1937200 -120.364 6.18665 -77.5615 -118.603 -337.787 -78.5968 -151.255 -131.712 174.553 PRESSAVG: 1937200 -5.36726 -5.98703 17.6619 -5.98699 -50.6676 22.6068 17.6618 22.6068 35.2404 GPRESSAVG: 1937200 -5.01264 -6.58953 17.8857 -4.62246 -50.9014 20.0826 17.0816 24.2304 35.3386 TIMING: 1937200 CPU: 5842.05, 0.00305093/step Wall: 5842.05, 0.00305093/step, 2.59566 hours remaining, 208.988281 MB of memory in use. ENERGY: 1937200 822.5362 2054.3266 1954.6666 111.5911 -205764.2287 17665.0107 0.0000 0.0000 34544.5681 -148611.5294 301.6863 -183156.0975 -148505.7842 300.8224 -126.9694 -94.5327 558999.0737 -6.9315 -6.8585 PRESSURE: 1937400 -23.5298 -106.592 51.2443 -106.594 -126.418 -160.91 51.2433 -160.911 -72.4235 GPRESSURE: 1937400 -10.4305 -114.741 30.3783 -57.5245 -77.3917 -193.086 130.9 -183.819 -44.3245 PRESSAVG: 1937400 31.6672 -13.0071 18.9739 -13.0072 14.7358 -3.88842 18.9739 -3.88834 -35.0974 GPRESSAVG: 1937400 31.7924 -11.6865 18.3326 -14.3692 15.0637 -1.9612 20.7478 -2.48428 -35.2415 TIMING: 1937400 CPU: 5842.66, 0.00302389/step Wall: 5842.66, 0.00302389/step, 2.57249 hours remaining, 208.988281 MB of memory in use. ENERGY: 1937400 733.6930 2076.9382 1960.6476 101.4805 -206137.3598 17755.1124 0.0000 0.0000 34609.0336 -148900.4547 302.2493 -183509.4883 -148806.7782 300.5150 -74.1236 -44.0489 558782.0551 3.7685 3.8715 PRESSURE: 1937600 -223.464 8.27206 -138.919 8.27196 52.3328 45.0391 -138.919 45.0386 12.5215 GPRESSURE: 1937600 -198.624 -2.01789 -47.0856 -49.2536 69.1675 57.9636 -72.2376 60.0749 64.4975 PRESSAVG: 1937600 -4.54628 -2.02271 -19.0173 -2.02267 -16.8995 1.8519 -19.0172 1.85183 14.11 GPRESSAVG: 1937600 -3.74828 -2.53402 -17.3492 -1.83539 -17.837 -0.866855 -20.2995 3.07008 14.3063 TIMING: 1937600 CPU: 5843.25, 0.00299338/step Wall: 5843.25, 0.00299338/step, 2.54636 hours remaining, 208.988281 MB of memory in use. ENERGY: 1937600 740.6657 2129.2734 1937.6897 111.8694 -206012.2355 17695.2370 0.0000 0.0000 34315.8506 -149081.6498 299.6889 -183397.5004 -148984.6648 300.0055 -52.8700 -21.6530 558568.4746 -2.4453 -2.4263 PRESSURE: 1937800 25.0154 -130.065 -159.145 -130.066 -187.244 58.9027 -159.144 58.9023 -161.206 GPRESSURE: 1937800 40.9731 -113.872 -159.762 -144.117 -109.422 4.78807 -239.319 35.5266 -157.488 PRESSAVG: 1937800 13.7698 -22.9171 -18.092 -22.9172 -34.7808 -48.8206 -18.092 -48.8206 67.3606 GPRESSAVG: 1937800 13.8366 -21.838 -18.4555 -22.8522 -34.7258 -46.2583 -19.4006 -51.0017 67.4421 TIMING: 1937800 CPU: 5843.85, 0.00297277/step Wall: 5843.85, 0.00297277/step, 2.52867 hours remaining, 208.988281 MB of memory in use. ENERGY: 1937800 747.4720 2098.1172 1931.2705 117.4275 -206034.1697 17663.4342 0.0000 0.0000 34386.1572 -149090.2911 300.3029 -183476.4483 -148997.1781 300.5363 -107.8117 -75.3125 557585.8990 15.4499 15.5176 PRESSURE: 1938000 -47.0315 -20.001 -3.66981 -19.9999 214.569 22.4644 -3.67087 22.4657 162.953 GPRESSURE: 1938000 19.3411 -69.6135 54.613 77.2546 243.224 24.4935 15.096 -15.1495 178.695 PRESSAVG: 1938000 41.0549 20.9709 -27.3715 20.971 9.64874 29.6769 -27.3715 29.677 -58.4907 GPRESSAVG: 1938000 40.188 18.4374 -27.6678 20.8549 10.1467 27.6934 -26.6733 32.8733 -57.9402 TIMING: 1938000 CPU: 5844.44, 0.002983/step Wall: 5844.44, 0.002983/step, 2.53721 hours remaining, 208.988281 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: 1938000 771.7242 2115.6364 1924.1498 102.8341 -206325.3595 18053.4810 0.0000 0.0000 34305.0510 -149052.4830 299.5945 -183357.5340 -148959.8221 300.1351 110.1635 147.0868 557106.3301 -2.5957 -2.5352 PRESSURE: 1938200 7.45371 -90.9856 109.634 -90.9853 -241.771 162.52 109.634 162.519 -52.6272 GPRESSURE: 1938200 59.4084 -159.859 89.4332 -85.4259 -216.595 198.418 95.2824 191.718 -24.3472 PRESSAVG: 1938200 75.3554 7.09762 11.5357 7.09765 -43.7001 38.179 11.5357 38.179 28.8046 GPRESSAVG: 1938200 76.5553 8.99442 11.6842 7.48213 -43.5468 37.66 11.9068 37.9804 27.1916 TIMING: 1938200 CPU: 5845.04, 0.00299954/step Wall: 5845.04, 0.00299954/step, 2.55111 hours remaining, 208.988281 MB of memory in use. ENERGY: 1938200 759.3217 2112.2046 1923.7231 114.3294 -205978.4992 17676.9349 0.0000 0.0000 34310.0094 -149081.9761 299.6378 -183391.9855 -148985.2085 300.2811 -95.6481 -60.5112 556131.9893 20.1533 20.0667 PRESSURE: 1938400 -229.779 -236.15 16.9413 -236.15 -167.922 46.1882 16.9425 46.1863 -83.3452 GPRESSURE: 1938400 -208.491 -286.8 27.3889 -138.429 -140.739 34.3098 -13.5376 23.7672 -36.1728 PRESSAVG: 1938400 0.995315 -53.1574 -23.8207 -53.1575 22.9055 32.5102 -23.8207 32.51 6.39452 GPRESSAVG: 1938400 0.391999 -54.8154 -24.328 -52.9462 22.3066 33.9156 -25.0631 29.7241 7.30543 TIMING: 1938400 CPU: 5845.65, 0.00300544/step Wall: 5845.65, 0.00300544/step, 2.55596 hours remaining, 208.988281 MB of memory in use. ENERGY: 1938400 800.6124 2070.1185 1959.2721 108.4313 -205725.1885 17461.3761 0.0000 0.0000 34024.8039 -149300.5741 297.1471 -183325.3780 -149209.8268 299.0669 -160.3486 -128.4676 558177.5565 10.0984 10.0014 PRESSURE: 1938600 145.978 -63.2688 -89.7007 -63.2674 22.3223 65.7087 -89.7004 65.7109 59.6699 GPRESSURE: 1938600 186.29 -48.9854 -90.224 -113.602 79.1682 95.1069 -57.6834 39.0144 54.8052 PRESSAVG: 1938600 37.2199 -24.4743 19.0583 -24.4744 -19.7141 12.6086 19.0584 12.6086 14.6964 GPRESSAVG: 1938600 36.7915 -24.0554 19.2351 -25.6335 -19.216 13.2685 17.5177 12.9174 14.2297 TIMING: 1938600 CPU: 5846.25, 0.00303289/step Wall: 5846.25, 0.00303289/step, 2.57913 hours remaining, 209.058594 MB of memory in use. ENERGY: 1938600 723.3930 2056.4035 1949.4185 107.5337 -206210.0246 17852.2515 0.0000 0.0000 34270.1217 -149250.9027 299.2895 -183521.0244 -149159.1451 298.5156 75.9902 106.7545 557583.0051 10.7341 10.6018 PRESSURE: 1938800 195.884 -270.02 -13.2413 -270.02 -24.1466 45.1444 -13.2405 45.1452 -328.419 GPRESSURE: 1938800 223.048 -219.921 -77.752 -281.609 -4.14868 54.2448 -12.6241 -0.704037 -281.744 PRESSAVG: 1938800 -27.655 -39.7667 4.64439 -39.7667 26.2458 49.9936 4.64431 49.9936 -8.00086 GPRESSAVG: 1938800 -28.4181 -41.4083 4.96145 -39.021 27.4339 48.2976 4.75668 52.7651 -8.04148 TIMING: 1938800 CPU: 5846.85, 0.00300028/step Wall: 5846.85, 0.00300028/step, 2.55124 hours remaining, 209.058594 MB of memory in use. ENERGY: 1938800 740.3370 2102.6205 1902.7918 113.8743 -206109.3229 17804.5324 0.0000 0.0000 34098.2976 -149346.8694 297.7889 -183445.1669 -149260.9764 298.4262 -52.2270 -20.9484 557968.4069 -3.1367 -3.0086 PRESSURE: 1939000 192.778 -50.9281 95.3052 -50.9291 -123.987 -77.2136 95.3041 -77.2139 -156.903 GPRESSURE: 1939000 229.139 -93.2574 188.24 27.3241 -62.2749 -46.6374 40.516 -33.3548 -173.426 PRESSAVG: 1939000 9.73727 34.9693 12.3518 34.9693 2.27531 12.2571 12.3517 12.2573 -51.0151 GPRESSAVG: 1939000 10.9074 33.7198 12.3764 35.5331 1.44076 13.3333 12.8506 9.61779 -51.1941 TIMING: 1939000 CPU: 5847.45, 0.00298299/step Wall: 5847.45, 0.00298299/step, 2.53637 hours remaining, 209.058594 MB of memory in use. ENERGY: 1939000 760.1783 2163.5834 1929.8620 109.4997 -206447.4356 17911.8823 0.0000 0.0000 34278.0261 -149294.4037 299.3585 -183572.4298 -149196.8408 298.6725 -29.3708 -2.1873 558821.5098 -13.0009 -12.9487 PRESSURE: 1939200 63.9207 57.7288 47.9919 57.7303 -70.5453 68.4134 47.992 68.4134 322.781 GPRESSURE: 1939200 75.3472 72.7515 40.3698 -10.5469 25.085 124.345 60.1349 44.4165 300.589 PRESSAVG: 1939200 -11.7261 42.2294 -19.5338 42.2295 0.603108 -7.23975 -19.5338 -7.23976 7.52511 GPRESSAVG: 1939200 -12.2091 44.6646 -20.6841 39.5305 0.409913 -9.21656 -18.1164 -5.13304 7.62858 TIMING: 1939200 CPU: 5848.05, 0.00299451/step Wall: 5848.05, 0.00299451/step, 2.546 hours remaining, 209.058594 MB of memory in use. ENERGY: 1939200 746.0076 2165.8456 1925.7747 107.9822 -206249.9617 17926.1302 0.0000 0.0000 34054.8994 -149323.3220 297.4099 -183378.2214 -149227.2201 298.6995 105.3856 133.6738 556760.5110 -1.1993 -1.3902 PRESSURE: 1939400 133.519 52.5235 -78.008 52.5243 142.273 -0.956815 -78.0071 -0.956949 -63.4473 GPRESSURE: 1939400 111.473 -2.05666 -89.9975 88.4798 217.232 -16.3571 -127.014 19.2652 -10.0068 PRESSAVG: 1939400 4.64857 25.0468 -60.2166 25.0468 -35.5499 0.691513 -60.2166 0.691658 37.7704 GPRESSAVG: 1939400 4.22597 24.1873 -57.7053 27.1704 -35.7851 0.559795 -60.9202 2.16808 38.6555 TIMING: 1939400 CPU: 5848.65, 0.00299931/step Wall: 5848.65, 0.00299931/step, 2.54991 hours remaining, 209.058594 MB of memory in use. ENERGY: 1939400 735.7256 2111.3895 1952.5605 110.6984 -206017.4308 17821.6442 0.0000 0.0000 34059.4912 -149225.9214 297.4500 -183285.4125 -149130.0588 298.7689 70.7814 106.2327 557439.5124 2.2897 2.3654 PRESSURE: 1939600 -441.811 -53.7529 -38.2462 -53.752 -161.903 -81.5695 -38.2463 -81.5717 35.229 GPRESSURE: 1939600 -382.463 -75.6005 -55.9467 -34.481 -140.058 -55.2987 -51.4412 -85.2867 53.6587 PRESSAVG: 1939600 -63.5705 11.665 3.32505 11.665 -38.7455 15.0118 3.32512 15.0118 96.3861 GPRESSAVG: 1939600 -62.7636 11.5344 3.79188 11.1154 -39.0077 15.876 2.22399 12.777 96.3014 TIMING: 1939600 CPU: 5849.25, 0.00299508/step Wall: 5849.25, 0.00299508/step, 2.54615 hours remaining, 209.058594 MB of memory in use. ENERGY: 1939600 736.2142 2108.3001 1969.2325 121.3596 -206094.7482 17647.8421 0.0000 0.0000 34218.8738 -149292.9259 298.8419 -183511.7997 -149191.2621 298.9976 -189.4949 -156.2876 557873.1596 -1.9766 -1.8233 PRESSURE: 1939800 10.3305 29.3455 -138.492 29.3456 50.4 -145.14 -138.491 -145.14 -114.513 GPRESSURE: 1939800 28.9551 32.9583 -159.451 -31.2457 84.9586 -147.192 -116.557 -128.914 -68.0524 PRESSAVG: 1939800 41.7446 20.6723 12.9301 20.6723 -59.0133 51.0397 12.93 51.0398 22.6777 GPRESSAVG: 1939800 41.4363 22.1444 12.9679 20.4094 -58.5706 50.6691 14.7303 50.756 22.6533 TIMING: 1939800 CPU: 5849.84, 0.00296673/step Wall: 5849.84, 0.00296673/step, 2.52189 hours remaining, 209.058594 MB of memory in use. ENERGY: 1939800 736.1993 2078.3795 1947.8869 129.8661 -206116.7815 17803.3830 0.0000 0.0000 34174.1176 -149246.9491 298.4511 -183421.0667 -149150.8282 298.6092 -17.9276 15.2871 557808.0096 1.8030 1.8397 PRESSURE: 1940000 20.6911 10.1739 70.8914 10.1741 171.595 -15.9127 70.8909 -15.9127 311.294 GPRESSURE: 1940000 82.6578 -68.4526 -84.2143 93.2596 189.843 -80.5634 2.201 -23.0543 328.46 PRESSAVG: 1940000 -9.09415 -43.2637 -18.8493 -43.2637 -28.026 7.9326 -18.8493 7.93253 -6.58882 GPRESSAVG: 1940000 -9.40455 -43.1104 -19.5132 -44.6356 -27.615 7.81445 -18.7641 8.38869 -6.88599 TIMING: 1940000 CPU: 5850.43, 0.00297218/step Wall: 5850.43, 0.00297218/step, 2.52635 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: 1940000 722.8674 2081.0345 1918.8153 126.1024 -206401.9293 18093.5631 0.0000 0.0000 34380.1960 -149079.3506 300.2508 -183459.5466 -148984.4192 299.3696 167.8602 200.3204 558333.4732 -14.5697 -14.6352 PRESSURE: 1940200 -34.1356 37.7225 -15.4187 37.723 -147.259 64.1614 -15.4195 64.1594 -23.9805 GPRESSURE: 1940200 15.8435 85.0731 -34.7481 4.01157 -125.475 81.3016 45.841 68.1827 4.96236 PRESSAVG: 1940200 -43.0937 2.04813 -19.4465 2.04824 -25.2564 -7.5203 -19.4466 -7.52035 57.0991 GPRESSAVG: 1940200 -41.2486 3.17176 -19.4043 1.40793 -26.0523 -7.68016 -20.1816 -6.73376 56.5278 TIMING: 1940200 CPU: 5851.03, 0.00296874/step Wall: 5851.03, 0.00296874/step, 2.52326 hours remaining, 209.058594 MB of memory in use. ENERGY: 1940200 783.1731 2136.4892 1964.9381 101.8992 -206293.0755 17908.9465 0.0000 0.0000 34378.0551 -149019.5743 300.2321 -183397.6294 -148930.4541 300.6745 -68.4584 -34.8896 558409.6586 -3.7503 -3.5910 LDB: ============= START OF LOAD BALANCING ============== 5854.54 LDB: ============== END OF LOAD BALANCING =============== 5854.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5854.54 LDB: ============= START OF LOAD BALANCING ============== 5854.84 LDB: Largest compute 4772 load 0.028733 is 24.3% of average load 0.118031 LDB: Average compute 0.001726 is 1.5% of average load 0.118031 LDB: TIME 5854.84 LOAD: AVG 0.118031 MAX 0.205892 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.043 MB LDB: TIME 5854.84 LOAD: AVG 0.118031 MAX 0.205892 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: TIME 5854.84 LOAD: AVG 0.118031 MAX 0.205892 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: ============== END OF LOAD BALANCING =============== 5854.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5854.85 PRESSURE: 1940400 397.551 -47.3136 104.283 -47.3126 58.9283 -0.387953 104.281 -0.387784 -163.72 GPRESSURE: 1940400 449.387 -26.2438 21.9949 -16.8689 43.7912 -22.3065 155.866 13.8457 -102.355 PRESSAVG: 1940400 66.7653 23.4729 -14.9132 23.4729 -4.36443 27.5232 -14.9132 27.5232 -54.611 GPRESSAVG: 1940400 66.328 23.334 -15.1543 24.4543 -4.43735 28.8732 -14.8537 27.2581 -53.8733 TIMING: 1940400 CPU: 5851.63, 0.0030199/step Wall: 5851.63, 0.0030199/step, 2.56658 hours remaining, 208.894531 MB of memory in use. ENERGY: 1940400 751.9772 2064.5278 1945.3080 109.0630 -206440.8744 18059.3073 0.0000 0.0000 34449.0293 -149061.6618 300.8519 -183510.6911 -148964.1212 300.3939 97.5862 130.2743 557969.1038 2.5966 2.6725 PRESSURE: 1940600 80.7529 150.3 10.9575 150.3 54.0606 -119.883 10.9571 -119.883 46.115 GPRESSURE: 1940600 111.52 85.393 31.706 112.492 95.8502 -180.006 -3.49806 -90.0342 69.0593 PRESSAVG: 1940600 -23.9283 18.7747 40.2979 18.7748 8.64847 -21.4256 40.2979 -21.4256 24.0049 GPRESSAVG: 1940600 -23.9091 15.7063 39.423 19.4301 8.18611 -22.566 43.267 -20.7074 24.2415 TIMING: 1940600 CPU: 5852.23, 0.00298304/step Wall: 5852.23, 0.00298304/step, 2.53508 hours remaining, 208.906250 MB of memory in use. ENERGY: 1940600 809.9995 2091.4660 1960.6049 131.0217 -206413.5052 17996.7260 0.0000 0.0000 34330.7582 -149092.9289 299.8191 -183423.6872 -149000.0555 299.9727 60.3095 92.1430 558870.3343 2.9084 2.8395 PRESSURE: 1940800 21.3258 -42.3527 106.458 -42.3521 106.96 120.797 106.456 120.795 249.259 GPRESSURE: 1940800 78.4072 -115.859 207.659 18.2773 124.849 48.9667 22.7304 119.207 262.471 PRESSAVG: 1940800 40.4394 -8.20625 39.6161 -8.20621 -96.0716 -9.83454 39.616 -9.83461 51.648 GPRESSAVG: 1940800 40.3218 -7.8862 42.265 -7.1623 -95.1493 -9.01843 37.6997 -11.6769 51.2211 TIMING: 1940800 CPU: 5852.83, 0.00299345/step Wall: 5852.83, 0.00299345/step, 2.54377 hours remaining, 208.906250 MB of memory in use. ENERGY: 1940800 730.6306 2037.8642 1937.3447 111.5512 -206472.0569 18071.2435 0.0000 0.0000 34427.8941 -149155.5286 300.6674 -183583.4227 -149058.8849 299.6508 125.8484 155.2423 557407.3146 -1.3281 -1.2021 PRESSURE: 1941000 50.1131 -13.2411 -124.613 -13.2397 214.458 30.5258 -124.613 30.5282 -88.1471 GPRESSURE: 1941000 24.0034 18.5111 -133.715 25.4722 250.126 58.0817 -105.543 1.61477 -3.12687 PRESSAVG: 1941000 6.97697 -6.75726 4.83547 -6.75734 -21.7341 -13.6233 4.83549 -13.6232 35.7889 GPRESSAVG: 1941000 6.27742 -4.76421 3.16412 -9.37432 -21.3512 -15.4407 4.60321 -13.1166 36.1116 TIMING: 1941000 CPU: 5853.43, 0.00299679/step Wall: 5853.43, 0.00299679/step, 2.54644 hours remaining, 208.964844 MB of memory in use. ENERGY: 1941000 725.7984 2117.5910 1938.0976 118.1634 -206006.6307 17696.4747 0.0000 0.0000 34235.1204 -149175.3853 298.9838 -183410.5057 -149075.9321 299.9605 58.8079 90.3341 557632.1189 7.0106 7.0126 PRESSURE: 1941200 58.6515 -1.03458 -32.6218 -1.03549 -120.016 -249.225 -32.6218 -249.224 111.731 GPRESSURE: 1941200 68.4991 13.4799 -78.4635 -43.4897 -72.286 -182.175 40.3308 -237.459 158.069 PRESSAVG: 1941200 22.8744 11.6997 17.6718 11.6998 -48.9204 -42.9933 17.672 -42.9934 12.4799 GPRESSAVG: 1941200 22.9256 10.2898 16.8001 13.8057 -48.9579 -42.7628 16.1122 -43.1675 12.5056 TIMING: 1941200 CPU: 5854.02, 0.00296995/step Wall: 5854.02, 0.00296995/step, 2.52347 hours remaining, 208.964844 MB of memory in use. ENERGY: 1941200 755.2944 2084.1790 1898.9481 113.1428 -206290.9660 18105.4232 0.0000 0.0000 34244.3017 -149089.6767 299.0640 -183333.9785 -148993.1674 299.4056 16.7890 51.4273 558325.5704 -4.5221 -4.5089 PRESSURE: 1941400 -82.3514 125.372 19.3806 125.372 -79.9325 30.4255 19.3814 30.4266 -28.1269 GPRESSURE: 1941400 -60.5292 69.009 -30.1532 159.849 20.7976 71.2998 -44.3899 -37.3569 -43.9172 PRESSAVG: 1941400 -8.95183 -0.0550148 48.2045 -0.0550457 35.1039 -55.2181 48.2046 -55.2181 9.32071 GPRESSAVG: 1941400 -7.98735 0.792358 50.6243 -1.90699 34.4725 -51.7554 48.711 -56.8303 9.61122 TIMING: 1941400 CPU: 5854.63, 0.003021/step Wall: 5854.63, 0.003021/step, 2.56667 hours remaining, 209.101562 MB of memory in use. ENERGY: 1941400 789.5923 2047.8063 1925.7712 100.9272 -205814.4183 17815.1629 0.0000 0.0000 34282.5363 -148852.6222 299.3979 -183135.1584 -148763.5060 299.8939 -63.4702 -27.8829 558797.6988 11.8243 12.0321 PRESSURE: 1941600 -50.0885 -31.2379 73.3964 -31.2378 -264.167 -93.6789 73.3965 -93.6786 -273.567 GPRESSURE: 1941600 -34.8923 -29.0884 -14.1787 0.306244 -254.935 -130.317 53.9357 -56.8782 -197.604 PRESSAVG: 1941600 54.1945 8.93122 -43.3317 8.93124 -4.62514 -61.5787 -43.3317 -61.5787 -36.5044 GPRESSAVG: 1941600 53.0856 8.89244 -43.8909 11.0077 -3.75705 -62.3056 -42.2486 -63.7429 -36.7078 TIMING: 1941600 CPU: 5855.23, 0.00301103/step Wall: 5855.23, 0.00301103/step, 2.55803 hours remaining, 209.101562 MB of memory in use. ENERGY: 1941600 784.4385 2124.3019 1942.0997 126.2068 -205972.7997 17573.5454 0.0000 0.0000 34441.4809 -148980.7265 300.7860 -183422.2074 -148893.7991 299.4625 -195.9408 -162.4771 557912.6324 4.3550 4.2069 PRESSURE: 1941800 -186.86 55.4674 64.3411 55.4678 -303.933 93.9631 64.3401 93.9636 18.1585 GPRESSURE: 1941800 -221.163 -8.01015 -7.47038 93.3541 -250.484 100.513 24.4589 96.4361 92.3925 PRESSAVG: 1941800 2.01979 -31.2921 35.0093 -31.2922 -15.1026 10.0351 35.0093 10.0351 22.8218 GPRESSAVG: 1941800 2.60416 -31.9313 31.9529 -31.6396 -15.7545 7.78711 35.6423 12.0748 22.8293 TIMING: 1941800 CPU: 5855.83, 0.00300243/step Wall: 5855.83, 0.00300243/step, 2.55056 hours remaining, 209.101562 MB of memory in use. ENERGY: 1941800 731.1106 2151.4262 1930.1057 112.5346 -205835.5635 17562.2139 0.0000 0.0000 34366.2801 -148981.8924 300.1293 -183348.1725 -148879.6172 300.5578 -157.5451 -126.4181 557908.0083 3.2463 3.2263 PRESSURE: 1942000 -43.8444 -26.957 -121.306 -26.9572 -135.817 115.851 -121.306 115.85 -101.117 GPRESSURE: 1942000 -26.245 -36.3849 -103.171 42.7361 -43.9147 138.87 -109.532 139.819 -112.133 PRESSAVG: 1942000 -18.6338 -47.545 21.0465 -47.545 -32.036 -25.1195 21.0465 -25.1195 11.805 GPRESSAVG: 1942000 -18.7421 -46.8487 22.5445 -49.2555 -31.0886 -23.3666 20.6507 -23.3609 10.6163 TIMING: 1942000 CPU: 5856.43, 0.0030201/step Wall: 5856.43, 0.0030201/step, 2.56541 hours remaining, 209.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1942000 767.3959 2121.4293 1943.7798 116.6082 -205963.5460 17730.9299 0.0000 0.0000 34360.6766 -148922.7263 300.0803 -183283.4029 -148828.0808 300.5830 -93.5928 -60.7642 559664.1577 -12.9549 -13.0715 PRESSURE: 1942200 -417.422 -37.1959 91.928 -37.195 104.186 3.99319 91.9292 3.99458 -19.0733 GPRESSURE: 1942200 -395.748 -9.35969 169.358 49.0958 132.004 43.465 77.5072 -136.09 23.6744 PRESSAVG: 1942200 25.211 -30.9045 16.9178 -30.9046 -19.6066 -3.18125 16.9178 -3.18123 -10.5442 GPRESSAVG: 1942200 24.7753 -32.348 19.3538 -28.6932 -19.4076 -4.20811 15.9358 -3.53026 -10.2876 TIMING: 1942200 CPU: 5857.04, 0.0030161/step Wall: 5857.04, 0.0030161/step, 2.56184 hours remaining, 209.101562 MB of memory in use. ENERGY: 1942200 773.1468 2128.3791 1903.1886 117.4004 -205891.7418 17650.0572 0.0000 0.0000 34352.0532 -148967.5164 300.0050 -183319.5697 -148871.3885 300.6444 -110.7699 -80.0231 559822.7640 -1.6466 -1.6400 PRESSURE: 1942400 -145.124 176.041 -66.5628 176.041 51.2345 -23.6535 -66.5613 -23.654 -13.2783 GPRESSURE: 1942400 -106.151 164.306 -50.0769 230.824 88.1655 7.55392 -39.2596 -76.4773 16.9999 PRESSAVG: 1942400 2.42873 53.1121 -40.8811 53.1121 -33.0022 19.7582 -40.8811 19.7582 24.3009 GPRESSAVG: 1942400 3.71918 53.5013 -42.6235 52.4106 -33.5994 18.9301 -40.322 19.4209 23.738 TIMING: 1942400 CPU: 5857.64, 0.00301249/step Wall: 5857.64, 0.00301249/step, 2.55861 hours remaining, 209.101562 MB of memory in use. ENERGY: 1942400 732.2663 2070.7511 1964.7556 117.2747 -206124.1421 17734.3852 0.0000 0.0000 34476.5600 -149028.1492 301.0924 -183504.7092 -148930.2574 299.6344 -35.7225 -0.3286 558287.1957 -2.0909 -2.0474 PRESSURE: 1942600 -168.554 8.79115 -3.97411 8.79088 -225.549 -101.335 -3.97395 -101.336 -185.36 GPRESSURE: 1942600 -122.456 -44.3775 -24.1501 70.2819 -180.726 -122.147 -51.3991 -8.81836 -175.623 PRESSAVG: 1942600 7.91305 12.3371 -3.27208 12.337 13.9792 56.583 -3.27213 56.5831 -31.7142 GPRESSAVG: 1942600 7.48188 12.9024 -3.21478 10.7479 13.3521 56.5073 -1.60229 58.0069 -30.5681 TIMING: 1942600 CPU: 5858.23, 0.00297628/step Wall: 5858.23, 0.00297628/step, 2.52769 hours remaining, 209.101562 MB of memory in use. ENERGY: 1942600 743.9878 2140.9056 1912.9796 115.1716 -205813.3172 17765.2316 0.0000 0.0000 34169.6024 -148965.4386 298.4116 -183135.0410 -148873.5014 299.6541 -193.1545 -159.6015 559660.0500 -3.2740 -3.2447 PRESSURE: 1942800 75.433 26.3963 -26.5059 26.3964 -149.847 -51.0476 -26.5048 -51.0477 198.333 GPRESSURE: 1942800 126.582 40.7741 -28.9738 -7.78013 -86.5427 -38.1192 -78.4848 -20.321 185.451 PRESSAVG: 1942800 -10.1001 19.5622 -55.5473 19.5621 -52.5451 -4.25021 -55.5472 -4.25023 57.0498 GPRESSAVG: 1942800 -11.2466 20.646 -56.9255 19.9204 -51.7263 -1.67178 -57.8837 -7.63874 57.273 TIMING: 1942800 CPU: 5858.83, 0.00297904/step Wall: 5858.83, 0.00297904/step, 2.52987 hours remaining, 209.101562 MB of memory in use. ENERGY: 1942800 762.8348 2109.1516 1933.3749 111.6965 -205886.7770 17835.7006 0.0000 0.0000 34228.6628 -148905.3557 298.9274 -183134.0185 -148813.1498 300.2442 41.3064 75.1637 557656.2096 -1.8652 -1.9000 PRESSURE: 1943000 -16.8333 -69.8632 1.75646 -69.8636 -142.102 1.67859 1.75674 1.67943 -354.419 GPRESSURE: 1943000 -10.2675 -107.51 -3.60736 -66.6297 -136.358 -41.5794 -14.101 82.815 -268.027 PRESSAVG: 1943000 -40.2142 27.8684 3.48691 27.8684 -35.8611 46.2526 3.487 46.2526 66.4053 GPRESSAVG: 1943000 -39.2349 27.3886 4.15395 28.7752 -36.6828 43.4179 3.94203 50.0246 65.3904 TIMING: 1943000 CPU: 5859.43, 0.00298661/step Wall: 5859.43, 0.00298661/step, 2.53613 hours remaining, 209.101562 MB of memory in use. ENERGY: 1943000 773.4429 2122.4351 1956.4919 124.9832 -205859.0391 17511.8430 0.0000 0.0000 34358.9070 -149010.9360 300.0649 -183369.8430 -148917.1383 301.4352 -171.1178 -138.2174 558062.5954 -3.2233 -3.5091 PRESSURE: 1943200 -243.16 -35.8856 72.1919 -35.8863 91.404 54.0991 72.1926 54.0982 -88.7572 GPRESSURE: 1943200 -214.727 -123.981 -27.4681 53.6165 180.285 46.8082 110.438 48.4512 -86.2734 PRESSAVG: 1943200 -13.2587 -2.24891 -16.3288 -2.24887 40.0514 6.72338 -16.3288 6.72331 10.4841 GPRESSAVG: 1943200 -13.2437 -3.05904 -15.834 -2.45602 40.3392 7.84909 -15.9322 5.2437 10.3373 TIMING: 1943200 CPU: 5860.02, 0.00298928/step Wall: 5860.02, 0.00298928/step, 2.53823 hours remaining, 209.101562 MB of memory in use. ENERGY: 1943200 767.7150 2126.5832 1929.3278 126.5940 -206539.5149 17882.7942 0.0000 0.0000 34396.7045 -149309.7962 300.3950 -183706.5007 -149219.3727 299.7548 -80.1710 -40.2386 556453.3954 12.4256 12.4776 PRESSURE: 1943400 -224.199 292.267 -38.3572 292.268 -62.0055 -80.0858 -38.3578 -80.0862 85.539 GPRESSURE: 1943400 -185.139 264.779 -93.3907 234.375 -44.7551 -200.26 74.0239 -74.8942 127.768 PRESSAVG: 1943400 -72.4082 -16.9615 -45.0536 -16.9614 49.2622 63.4281 -45.0537 63.4281 51.1627 GPRESSAVG: 1943400 -72.6902 -16.568 -44.4611 -19.3182 49.599 63.451 -44.4544 61.0217 51.2632 TIMING: 1943400 CPU: 5860.62, 0.00297762/step Wall: 5860.62, 0.00297762/step, 2.52817 hours remaining, 209.101562 MB of memory in use. ENERGY: 1943400 746.2018 2121.2532 1931.6202 120.9736 -206131.7616 17815.4975 0.0000 0.0000 34162.8582 -149233.3572 298.3527 -183396.2154 -149136.7685 299.8679 -66.8886 -34.0420 557749.2538 9.3389 9.3907 PRESSURE: 1943600 -173.493 106.353 -127.919 106.352 -475.664 31.996 -127.919 31.9951 197.981 GPRESSURE: 1943600 -135.16 19.725 -137.36 147.853 -455.223 -11.085 -91.0284 54.5659 230.349 PRESSAVG: 1943600 9.5605 45.3535 -83.7574 45.3535 -26.3672 -38.1306 -83.7575 -38.1306 -7.865 GPRESSAVG: 1943600 9.23361 45.2116 -85.6154 47.5834 -25.8764 -40.9135 -83.7804 -34.7083 -7.56059 TIMING: 1943600 CPU: 5861.21, 0.00296021/step Wall: 5861.21, 0.00296021/step, 2.51322 hours remaining, 209.101562 MB of memory in use. ENERGY: 1943600 764.6544 2079.0433 1924.8329 103.0174 -205982.6782 17658.8460 0.0000 0.0000 34294.7739 -149157.5102 299.5048 -183452.2841 -149055.5655 299.5072 -150.3922 -120.0116 557443.1268 -8.2239 -8.0678 PRESSURE: 1943800 -208.134 30.8027 24.9175 30.8024 -187.577 -26.8802 24.9178 -26.8784 -111.008 GPRESSURE: 1943800 -181.272 28.9152 90.4103 19.7402 -143.517 -25.7376 -98.8216 4.67629 -74.0957 PRESSAVG: 1943800 -22.2814 1.46776 -40.4705 1.46773 8.17209 32.0252 -40.4705 32.0252 -2.97318 GPRESSAVG: 1943800 -21.2323 1.02787 -40.1539 1.09534 6.80573 35.6626 -40.0801 30.9297 -2.79028 TIMING: 1943800 CPU: 5861.81, 0.00299407/step Wall: 5861.81, 0.00299407/step, 2.5418 hours remaining, 209.101562 MB of memory in use. ENERGY: 1943800 769.0357 2123.5888 1900.4578 112.8441 -206015.7243 17624.0484 0.0000 0.0000 34286.8593 -149198.8902 299.4357 -183485.7495 -149104.8017 299.2985 -168.9062 -132.9616 558252.3966 -5.6942 -5.7390 PRESSURE: 1944000 163.358 -52.6779 -53.1977 -52.6784 -18.2226 43.532 -53.1968 43.5319 -190.971 GPRESSURE: 1944000 175.679 -91.3472 -130.302 -11.2385 -33.498 -86.073 -66.4916 114.556 -79.3842 PRESSAVG: 1944000 -12.5832 -19.1866 6.43137 -19.1866 0.981498 8.83814 6.43132 8.8382 50.548 GPRESSAVG: 1944000 -13.01 -18.165 8.45571 -20.8889 2.1377 7.52643 5.09902 9.71771 49.8741 TIMING: 1944000 CPU: 5862.41, 0.00301201/step Wall: 5862.41, 0.00301201/step, 2.55686 hours remaining, 209.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1944000 743.2680 2055.0432 1931.7338 118.3813 -206143.4343 17916.5934 0.0000 0.0000 34267.2565 -149111.1580 299.2645 -183378.4146 -149003.4924 299.4150 -15.2786 20.9323 559246.1069 12.9821 13.0006 PRESSURE: 1944200 -292.691 -109.392 -68.0039 -109.391 -149.253 -19.7616 -68.0038 -19.7609 38.0126 GPRESSURE: 1944200 -272.622 -124.594 -122.871 -24.7823 -162.081 -121.908 -59.019 38.4693 118.962 PRESSAVG: 1944200 51.2822 -29.7666 0.721623 -29.7665 -4.50503 9.54609 0.721599 9.54608 -0.79065 GPRESSAVG: 1944200 51.8279 -30.8231 -1.40058 -27.2562 -5.52251 11.1957 0.461441 7.82126 -0.586475 TIMING: 1944200 CPU: 5863.01, 0.00300052/step Wall: 5863.01, 0.00300052/step, 2.54694 hours remaining, 209.101562 MB of memory in use. ENERGY: 1944200 751.6734 2053.0331 1924.7069 121.1293 -205846.8432 17681.1045 0.0000 0.0000 34219.3576 -149095.8384 298.8462 -183315.1961 -149000.5486 299.3324 -134.6438 -105.2469 559677.4780 15.3288 15.2396 LDB: ============= START OF LOAD BALANCING ============== 5866.53 LDB: ============== END OF LOAD BALANCING =============== 5866.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5866.53 LDB: ============= START OF LOAD BALANCING ============== 5866.84 LDB: Largest compute 4772 load 0.030137 is 25.5% of average load 0.118060 LDB: Average compute 0.001732 is 1.5% of average load 0.118060 LDB: TIME 5866.84 LOAD: AVG 0.11806 MAX 0.207826 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.746 MB LDB: TIME 5866.84 LOAD: AVG 0.11806 MAX 0.207826 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.746 MB LDB: TIME 5866.84 LOAD: AVG 0.11806 MAX 0.207826 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.746 MB LDB: ============== END OF LOAD BALANCING =============== 5866.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5866.85 PRESSURE: 1944400 -12.92 83.6061 -50.7116 83.6069 -484.362 -28.2917 -50.7105 -28.2924 72.1395 GPRESSURE: 1944400 50.1558 25.0835 12.0432 105.563 -435.849 -39.6783 -81.3839 -105.504 59.7962 PRESSAVG: 1944400 74.4976 -18.7598 38.55 -18.7597 -83.3922 -37.5635 38.5501 -37.5636 13.9993 GPRESSAVG: 1944400 74.4295 -16.5954 40.0043 -20.6227 -84.5261 -40.2872 38.598 -37.2857 15.3283 TIMING: 1944400 CPU: 5863.63, 0.00309417/step Wall: 5863.63, 0.00309417/step, 2.62626 hours remaining, 211.417969 MB of memory in use. ENERGY: 1944400 757.8658 2041.7497 1929.6113 121.6330 -206145.9888 17759.2088 0.0000 0.0000 34261.8195 -149274.1008 299.2170 -183535.9202 -149180.0123 298.3227 -141.7143 -108.6323 557551.4768 1.7016 1.7439 PRESSURE: 1944600 99.2019 -24.251 -96.2719 -24.2518 -34.2146 78.9435 -96.2719 78.9429 -29.8518 GPRESSURE: 1944600 177.362 -39.1767 -162.552 -57.1383 22.8671 30.4045 -118.457 127.312 -68.674 PRESSAVG: 1944600 68.5508 -3.20544 -8.86313 -3.20549 -40.9434 23.2081 -8.86317 23.2082 -35.8691 GPRESSAVG: 1944600 69.5037 -5.51726 -10.157 -1.76859 -40.4038 25.042 -6.82162 21.4924 -37.431 TIMING: 1944600 CPU: 5864.23, 0.00300635/step Wall: 5864.23, 0.00300635/step, 2.55156 hours remaining, 211.488281 MB of memory in use. ENERGY: 1944600 727.0235 2018.6983 1932.1892 105.7209 -206344.3991 17857.9375 0.0000 0.0000 34405.0213 -149297.8085 300.4676 -183702.8298 -149194.1954 299.2222 11.7118 43.8516 557440.2437 -2.7539 -2.7770 PRESSURE: 1944800 -2.25625 -165.925 7.17721 -165.924 -35.0343 -57.9664 7.17752 -57.9657 -171.25 GPRESSURE: 1944800 20.4492 -146.143 80.3445 -140.376 -24.2772 -85.715 -14.8465 -124.54 -118.77 PRESSAVG: 1944800 30.9629 2.07431 -4.04026 2.07428 17.5589 31.4903 -4.04029 31.4903 -41.4525 GPRESSAVG: 1944800 29.5078 1.9971 -3.43708 2.11929 17.3261 30.5571 -4.94727 30.8105 -40.0191 TIMING: 1944800 CPU: 5864.83, 0.00299783/step Wall: 5864.83, 0.00299783/step, 2.54416 hours remaining, 211.488281 MB of memory in use. ENERGY: 1944800 788.6651 2097.0658 1889.6842 104.4315 -206319.5959 17870.0244 0.0000 0.0000 34231.5143 -149338.2107 298.9523 -183569.7250 -149246.0336 298.8013 -69.5137 -40.8659 558597.9157 2.3564 2.2716 PRESSURE: 1945000 -77.3101 136.755 275.447 136.757 107.842 -77.8987 275.447 -77.8972 -83.0921 GPRESSURE: 1945000 -48.9611 145.564 239.975 109.852 155.498 -18.2331 202.86 -102.389 -56.1596 PRESSAVG: 1945000 -12.0486 5.27586 20.0427 5.27594 20.043 -19.8393 20.0427 -19.8393 -14.3156 GPRESSAVG: 1945000 -11.2349 5.78152 20.9993 2.89518 20.1346 -17.7717 19.7724 -19.1335 -14.9065 TIMING: 1945000 CPU: 5865.44, 0.0030366/step Wall: 5865.44, 0.0030366/step, 2.5769 hours remaining, 211.488281 MB of memory in use. ENERGY: 1945000 754.3010 2083.5318 1916.7629 116.5802 -206334.5476 17858.2013 0.0000 0.0000 34206.3713 -149398.7991 298.7327 -183605.1704 -149299.4726 298.7727 -17.5200 16.7923 557997.9098 -2.1071 -2.0023 PRESSURE: 1945200 -114.784 78.4612 -35.9018 78.4608 -53.2451 -81.3966 -35.9 -81.3961 -103.441 GPRESSURE: 1945200 -67.9937 119.515 -101.037 -0.780483 43.5566 -30.3256 -21.3709 -36.6007 -146.885 PRESSAVG: 1945200 21.5585 29.3565 5.64244 29.3565 -20.2575 21.9182 5.64249 21.9182 -23.5538 GPRESSAVG: 1945200 20.7365 29.4649 5.24595 30.0138 -18.0662 20.9998 5.84263 23.6787 -24.6089 TIMING: 1945200 CPU: 5866.04, 0.00301249/step Wall: 5866.04, 0.00301249/step, 2.55627 hours remaining, 211.488281 MB of memory in use. ENERGY: 1945200 744.6917 2084.7466 1927.1022 113.3022 -206085.0898 17838.5752 0.0000 0.0000 34115.5793 -149261.0924 297.9398 -183376.6718 -149164.1931 299.1437 -90.4901 -57.1075 559381.8773 -7.4176 -7.3129 PRESSURE: 1945400 29.7587 -26.1954 -88.0852 -26.1949 -207.268 -42.1466 -88.0851 -42.1439 -279.125 GPRESSURE: 1945400 24.5812 -63.8457 -68.593 23.5913 -158.193 -3.83999 -53.8709 -60.7178 -217.134 PRESSAVG: 1945400 36.416 -16.5156 -30.9506 -16.5156 60.4618 8.49059 -30.9506 8.4905 -80.6335 GPRESSAVG: 1945400 36.4923 -14.2241 -32.2552 -18.0501 59.1579 9.32745 -29.7836 6.26575 -79.0842 TIMING: 1945400 CPU: 5866.64, 0.00300669/step Wall: 5866.64, 0.00300669/step, 2.55118 hours remaining, 211.488281 MB of memory in use. ENERGY: 1945400 681.2292 2082.3068 1914.7861 108.0196 -205876.9791 17543.2058 0.0000 0.0000 34378.7855 -149168.6461 300.2385 -183547.4316 -149071.5535 298.9555 -152.2114 -116.9153 559060.0913 5.4148 5.5220 PRESSURE: 1945600 125.393 4.09233 9.08963 4.09307 -108.073 -115.095 9.08946 -115.094 -77.3596 GPRESSURE: 1945600 93.5158 40.2164 -14.5099 57.6069 -86.1241 -123.468 -24.203 -101.832 19.3515 PRESSAVG: 1945600 25.1211 8.47212 1.25724 8.47212 17.5791 -34.9726 1.25715 -34.9726 -55.7837 GPRESSAVG: 1945600 25.0416 5.25319 4.51518 10.8426 18.2623 -34.3045 -0.717129 -35.8279 -56.5779 TIMING: 1945600 CPU: 5867.25, 0.00300879/step Wall: 5867.25, 0.00300879/step, 2.55279 hours remaining, 211.488281 MB of memory in use. ENERGY: 1945600 751.4863 2064.0542 1932.4251 117.6699 -205995.2033 17787.1200 0.0000 0.0000 34043.2562 -149299.1916 297.3082 -183342.4478 -149201.8580 298.6734 -20.0130 8.9144 557793.2370 -4.3612 -4.4247 PRESSURE: 1945800 -52.173 104.494 -44.1538 104.495 33.9354 102.786 -44.1533 102.787 67.631 GPRESSURE: 1945800 -15.369 117.147 -38.9792 103.032 46.1399 122.595 52.6339 121.274 119.462 PRESSAVG: 1945800 -11.1322 -18.4532 -44.3495 -18.4531 -9.77755 -3.42269 -44.3497 -3.42273 39.4495 GPRESSAVG: 1945800 -11.1399 -15.8466 -47.6135 -19.9496 -10.3427 -4.46778 -41.8515 -1.09411 40.0759 TIMING: 1945800 CPU: 5867.85, 0.00303462/step Wall: 5867.85, 0.00303462/step, 2.57454 hours remaining, 211.488281 MB of memory in use. ENERGY: 1945800 764.9719 2105.4367 1925.2987 118.4216 -206435.8074 17907.7093 0.0000 0.0000 34263.0258 -149350.9435 299.2275 -183613.9692 -149253.6341 298.5489 16.4645 50.0776 558012.5961 6.1799 6.1978 PRESSURE: 1946000 203.664 59.6936 -155.636 59.6926 -128.037 -147.903 -155.637 -147.903 -77.7748 GPRESSURE: 1946000 179.502 44.2563 -229.658 59.9094 -90.1835 -165.531 -163.039 -123.5 -5.3232 PRESSAVG: 1946000 -19.0985 -75.6781 8.48483 -75.6781 -1.4974 7.47995 8.48491 7.47992 21.7406 GPRESSAVG: 1946000 -19.032 -76.522 10.2009 -74.2627 -1.82193 6.77655 6.3002 6.69157 22.0377 TIMING: 1946000 CPU: 5868.45, 0.00297358/step Wall: 5868.45, 0.00297358/step, 2.52259 hours remaining, 211.488281 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: 1946000 715.7777 2091.4355 1925.1407 110.4752 -206188.5817 17981.2767 0.0000 0.0000 34061.1487 -149303.3272 297.4645 -183364.4760 -149205.8503 298.7735 -0.7160 27.9985 558768.4157 0.3815 0.3946 PRESSURE: 1946200 -99.4781 -37.55 103.607 -37.5514 -41.9232 24.6957 103.607 24.6963 -68.8413 GPRESSURE: 1946200 -15.3393 -16.8155 146.502 -47.6574 -11.2715 28.0565 101.637 -17.033 -95.0385 PRESSAVG: 1946200 42.1702 42.7456 13.4787 42.7455 -74.7597 -26.0948 13.4786 -26.0946 7.76624 GPRESSAVG: 1946200 42.4147 42.8971 15.0262 42.6537 -74.7864 -24.9019 12.797 -25.85 7.31285 TIMING: 1946200 CPU: 5869.05, 0.00300388/step Wall: 5869.05, 0.00300388/step, 2.54812 hours remaining, 211.488281 MB of memory in use. ENERGY: 1946200 724.2243 2086.2930 1938.9660 111.4641 -205988.2720 17680.7318 0.0000 0.0000 34428.3487 -149018.2442 300.6713 -183446.5929 -148929.0889 299.3870 -70.0809 -40.5497 558477.3570 -8.2744 -8.3529 PRESSURE: 1946400 105.879 -97.08 -28.5245 -97.0805 -124.397 -57.121 -28.5254 -57.1216 -399.37 GPRESSURE: 1946400 149.565 -134.743 -63.3186 -33.0881 -115.566 -62.6662 -19.8248 -78.8437 -347.306 PRESSAVG: 1946400 -25.7107 1.57464 -31.2541 1.57461 -42.1223 -4.59054 -31.2541 -4.59059 26.916 GPRESSAVG: 1946400 -25.0197 0.757231 -32.589 2.32026 -42.1315 -5.84648 -28.0875 -4.98082 26.2654 TIMING: 1946400 CPU: 5869.65, 0.00300765/step Wall: 5869.65, 0.00300765/step, 2.55115 hours remaining, 211.488281 MB of memory in use. ENERGY: 1946400 738.2202 2069.7031 1897.1941 110.1484 -205956.7657 17710.1585 0.0000 0.0000 34487.7226 -148943.6188 301.1899 -183431.3414 -148847.6675 300.4625 -139.2961 -104.4357 559036.3029 -13.6390 -13.6286 PRESSURE: 1946600 -177.014 -46.1438 -114.741 -46.1418 -348.299 -28.8893 -114.74 -28.8898 -24.0198 GPRESSURE: 1946600 -167.871 -60.8234 -69.2897 -67.2697 -289.299 -34.0288 -144 -9.35144 5.8492 PRESSAVG: 1946600 -92.243 17.999 -14.7078 17.9991 66.4394 -62.7009 -14.7078 -62.7009 24.0894 GPRESSAVG: 1946600 -93.6011 19.6873 -15.0788 16.6125 65.7294 -62.5353 -15.5579 -64.6207 25.5546 TIMING: 1946600 CPU: 5870.25, 0.00300067/step Wall: 5870.25, 0.00300067/step, 2.54507 hours remaining, 211.488281 MB of memory in use. ENERGY: 1946600 761.2925 2109.0458 1934.6681 102.4010 -205867.9359 17745.3253 0.0000 0.0000 34197.1113 -149018.0919 298.6519 -183215.2032 -148921.1605 300.1481 -183.1107 -150.4403 559035.8368 -0.5714 -0.7724 PRESSURE: 1946800 -174.67 -128.755 16.3858 -128.755 231.573 -146.225 16.3863 -146.225 94.9408 GPRESSURE: 1946800 -141.913 -150.549 -14.0036 -121.753 238.423 -83.4759 40.3976 -105.879 154.588 PRESSAVG: 1946800 -110.443 -46.5824 -36.4289 -46.5824 31.7922 -62.919 -36.4289 -62.919 58.9326 GPRESSAVG: 1946800 -109.347 -48.6737 -38.3524 -46.258 30.7832 -63.7611 -36.8069 -60.0817 58.4273 TIMING: 1946800 CPU: 5870.85, 0.00299629/step Wall: 5870.85, 0.00299629/step, 2.54119 hours remaining, 211.488281 MB of memory in use. ENERGY: 1946800 725.5508 2107.3971 1938.8016 113.6610 -205727.6963 17743.1485 0.0000 0.0000 34112.4138 -148986.7236 297.9122 -183099.1374 -148899.0614 299.9465 50.6149 83.6994 558527.8079 -6.5727 -6.7122 PRESSURE: 1947000 -202.828 -21.5836 -116.164 -21.5839 -191.039 1.85132 -116.164 1.84947 -35.9779 GPRESSURE: 1947000 -160.059 26.7618 -104.003 -137.489 -130.482 108.895 -122.58 23.3123 -37.925 PRESSAVG: 1947000 -22.8295 -11.3961 -35.9712 -11.396 -22.1654 3.28312 -35.9712 3.28325 29.2925 GPRESSAVG: 1947000 -23.2745 -11.4036 -34.0961 -11.4422 -22.0337 5.07363 -37.5955 3.11606 29.9427 TIMING: 1947000 CPU: 5871.44, 0.00295827/step Wall: 5871.44, 0.00295827/step, 2.50878 hours remaining, 211.488281 MB of memory in use. ENERGY: 1947000 767.0483 2115.2231 1925.9734 118.0583 -205490.9796 17343.6953 0.0000 0.0000 34358.7582 -148862.2230 300.0636 -183220.9812 -148773.0312 299.9052 -143.2817 -109.4885 556557.0384 -5.2341 -5.1218 PRESSURE: 1947200 -128.59 -40.9802 -69.3539 -40.9804 -204.572 -181.612 -69.3542 -181.612 -317.819 GPRESSURE: 1947200 -82.2149 -133.417 -74.9664 -29.7822 -161.736 -250.978 -94.4097 -93.4174 -314.489 PRESSAVG: 1947200 77.1283 28.6301 2.12285 28.6302 -61.6936 49.039 2.12291 49.0389 -9.5362 GPRESSAVG: 1947200 77.9756 29.6758 1.06483 27.6671 -61.1158 47.0764 3.2636 48.5922 -10.5596 TIMING: 1947200 CPU: 5872.04, 0.00298009/step Wall: 5872.04, 0.00298009/step, 2.52712 hours remaining, 211.488281 MB of memory in use. ENERGY: 1947200 716.4831 2135.4406 1929.0047 119.9232 -205616.3059 17384.6302 0.0000 0.0000 34386.0522 -148944.7719 300.3019 -183330.8241 -148846.9012 300.0184 -216.9939 -186.1465 557846.5617 1.9662 2.1001 PRESSURE: 1947400 188.236 -98.4035 -25.3959 -98.4023 268.661 27.3869 -25.3957 27.3853 -106.427 GPRESSURE: 1947400 223.71 -45.9002 -24.0953 -168.614 250.239 57.0934 -69.2894 -12.135 -22.9661 PRESSAVG: 1947400 -33.307 4.36005 -3.34064 4.36007 8.48058 10.3019 -3.34054 10.302 -46.4986 GPRESSAVG: 1947400 -33.9651 5.27203 -0.951126 4.48591 8.83053 11.3691 -4.58774 10.5629 -45.7209 TIMING: 1947400 CPU: 5872.63, 0.00298777/step Wall: 5872.63, 0.00298777/step, 2.53346 hours remaining, 211.488281 MB of memory in use. ENERGY: 1947400 767.7033 2066.1523 1949.6935 107.6938 -206124.3895 17965.4745 0.0000 0.0000 34219.8176 -149047.8545 298.8502 -183267.6721 -148951.3540 299.1934 116.8232 150.3277 559078.1655 -23.7750 -23.6185 PRESSURE: 1947600 -225.62 -85.5659 12.5597 -85.5654 -93.8213 123.458 12.5597 123.458 -101.453 GPRESSURE: 1947600 -188.199 -30.1221 75.4776 -35.0896 -63.4515 111.325 41.5471 58.4752 -59.9975 PRESSAVG: 1947600 -25.1932 -11.345 -29.3528 -11.3449 40.874 -22.0164 -29.3527 -22.0164 -50.1469 GPRESSAVG: 1947600 -24.9719 -13.2011 -31.1282 -9.87754 41.1631 -20.8938 -26.8472 -24.5298 -50.7144 TIMING: 1947600 CPU: 5873.23, 0.00297749/step Wall: 5873.23, 0.00297749/step, 2.52458 hours remaining, 211.554688 MB of memory in use. ENERGY: 1947600 802.7975 2117.2975 1952.5776 109.7810 -206236.3319 17744.2028 0.0000 0.0000 34355.0097 -149154.6658 300.0308 -183509.6755 -149053.1979 299.4157 -140.2982 -103.8826 559293.7836 -11.4887 -11.5077 PRESSURE: 1947800 135.606 57.6769 54.7719 57.6773 -119.183 241.572 54.7724 241.573 -109.127 GPRESSURE: 1947800 147.569 9.12571 47.8659 153.797 -69.2458 252.087 151.572 147.613 -92.2706 PRESSAVG: 1947800 -26.0642 -11.3533 -37.7893 -11.3532 65.2295 -21.4977 -37.7893 -21.4977 -89.553 GPRESSAVG: 1947800 -25.771 -11.8124 -36.0699 -9.78074 64.6794 -23.6839 -39.8498 -20.164 -88.9243 TIMING: 1947800 CPU: 5873.82, 0.00296005/step Wall: 5873.82, 0.00296005/step, 2.50963 hours remaining, 211.554688 MB of memory in use. ENERGY: 1947800 730.3221 2082.9244 1924.9945 114.3694 -206088.9656 17826.9945 0.0000 0.0000 34158.6199 -149250.7407 298.3157 -183409.3606 -149152.9370 299.4556 -30.9014 -4.6492 559512.8392 -16.7959 -16.6720 PRESSURE: 1948000 -46.2836 176.085 24.6673 176.084 -39.9375 109.297 24.6676 109.299 -195.641 GPRESSURE: 1948000 46.6129 39.6436 91.3139 238.296 -46.9265 113.766 67.7103 119.628 -180.383 PRESSAVG: 1948000 1.90102 -6.44362 18.8383 -6.44359 38.1369 75.2098 18.8383 75.2098 -20.9637 GPRESSAVG: 1948000 1.97399 -5.65978 17.9238 -10.2099 38.3214 74.1126 21.7686 76.6165 -21.3574 TIMING: 1948000 CPU: 5874.41, 0.00295189/step Wall: 5874.41, 0.00295189/step, 2.50254 hours remaining, 211.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1948000 732.1202 2151.3899 1926.9340 112.0667 -205858.8292 17587.7607 0.0000 0.0000 34103.5289 -149245.0288 297.8346 -183348.5576 -149151.3632 298.6949 -93.9540 -60.2323 558663.7122 6.3581 6.3126 PRESSURE: 1948200 -208.487 66.7707 -54.6308 66.771 -177.239 -52.4689 -54.6301 -52.4685 -43.9424 GPRESSURE: 1948200 -154.312 102.341 -13.6045 -5.45414 -127.35 -35.9015 -41.7809 -79.3909 -49.436 PRESSAVG: 1948200 -0.00061055 8.24653 -12.651 8.24655 51.415 -27.4325 -12.651 -27.4326 9.99004 GPRESSAVG: 1948200 0.630264 6.31306 -13.3801 11.4634 51.2741 -26.5115 -13.5457 -29.0925 9.50925 TIMING: 1948200 CPU: 5875.01, 0.00299825/step Wall: 5875.01, 0.00299825/step, 2.54168 hours remaining, 211.691406 MB of memory in use. ENERGY: 1948200 779.1425 2056.4103 1911.4800 98.0584 -206263.0605 17826.4532 0.0000 0.0000 34446.4752 -149145.0410 300.8296 -183591.5161 -149035.5524 299.6242 -143.2229 -110.3662 559195.4829 20.4681 20.4712 LDB: ============= START OF LOAD BALANCING ============== 5878.53 LDB: ============== END OF LOAD BALANCING =============== 5878.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5878.53 LDB: ============= START OF LOAD BALANCING ============== 5878.83 LDB: Largest compute 4772 load 0.029122 is 24.7% of average load 0.117972 LDB: Average compute 0.001731 is 1.5% of average load 0.117972 LDB: TIME 5878.83 LOAD: AVG 0.117972 MAX 0.205194 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.758 MB LDB: TIME 5878.83 LOAD: AVG 0.117972 MAX 0.205194 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.961 MB LDB: TIME 5878.83 LOAD: AVG 0.117972 MAX 0.205194 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.961 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5878.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5878.84 PRESSURE: 1948400 10.4447 -46.472 116.425 -46.472 126.897 123.923 116.425 123.924 -84.4213 GPRESSURE: 1948400 48.2961 -32.5068 79.496 -87.9584 150.493 168.347 24.8717 147.456 -40.7843 PRESSAVG: 1948400 -5.0691 -62.5804 35.0736 -62.5804 3.71349 26.1659 35.0736 26.1659 -17.0203 GPRESSAVG: 1948400 -5.95869 -60.767 35.2936 -62.9166 3.54526 26.6689 32.678 24.9913 -15.7461 TIMING: 1948400 CPU: 5875.62, 0.00304945/step Wall: 5875.62, 0.00304945/step, 2.58492 hours remaining, 208.371094 MB of memory in use. ENERGY: 1948400 733.1400 2143.5793 1924.5652 118.6590 -206274.5117 17927.5462 0.0000 0.0000 34405.6253 -149021.3967 300.4729 -183427.0220 -148924.2474 300.8739 17.6403 52.6682 557582.4080 -6.1253 -6.0532 PRESSURE: 1948600 -114.678 -184.631 17.7065 -184.632 -329.382 0.219524 17.7063 0.220721 -267.49 GPRESSURE: 1948600 -93.8727 -157.336 -6.45858 -131.43 -252.099 -6.05527 57.5506 -58.679 -259.769 PRESSAVG: 1948600 -1.07753 -41.1634 1.01584 -41.1633 29.7487 -38.8595 1.01575 -38.8594 -11.6249 GPRESSAVG: 1948600 -0.178041 -40.674 2.06481 -40.5982 29.5515 -39.0824 1.71432 -38.8492 -12.5304 TIMING: 1948600 CPU: 5876.22, 0.00298661/step Wall: 5876.22, 0.00298661/step, 2.53149 hours remaining, 208.382812 MB of memory in use. ENERGY: 1948600 773.9615 2064.1234 1933.6969 102.0026 -205502.9742 17366.2005 0.0000 0.0000 34264.3548 -148998.6344 299.2391 -183262.9892 -148906.6015 299.4206 -237.1833 -201.9136 558166.0489 5.6821 5.6144 PRESSURE: 1948800 -160.974 -87.0036 -165.489 -87.0044 -204.627 72.0386 -165.489 72.0396 65.8179 GPRESSURE: 1948800 -147.846 -161.756 -109.121 -0.999893 -150.104 74.1612 -183.887 93.96 92.216 PRESSAVG: 1948800 2.63908 -74.1848 -28.5109 -74.1848 15.8263 18.1574 -28.511 18.1574 28.7147 GPRESSAVG: 1948800 2.21107 -74.139 -29.6547 -75.0542 15.9728 18.3804 -25.2234 20.8913 28.7921 TIMING: 1948800 CPU: 5876.82, 0.00298582/step Wall: 5876.82, 0.00298582/step, 2.53065 hours remaining, 208.449219 MB of memory in use. ENERGY: 1948800 739.4488 2064.5131 1950.6863 109.5276 -205844.0529 17545.1911 0.0000 0.0000 34303.5342 -149131.1519 299.5813 -183434.6861 -149036.8249 299.8840 -99.9277 -68.5781 557619.1413 15.7267 15.6587 PRESSURE: 1949000 -78.9371 -171.445 -170.706 -171.445 105.794 56.6161 -170.705 56.6147 -168.779 GPRESSURE: 1949000 -33.3486 -104.182 -211.41 -175.681 113.155 -25.4709 -119.39 139.55 -124.386 PRESSAVG: 1949000 -1.77332 -11.1464 11.9832 -11.1464 32.1977 41.9427 11.9832 41.9428 -1.54508 GPRESSAVG: 1949000 -2.46685 -11.5204 12.347 -10.1731 31.8557 39.135 10.7191 41.7793 -1.12519 TIMING: 1949000 CPU: 5877.41, 0.00299079/step Wall: 5877.41, 0.00299079/step, 2.53469 hours remaining, 208.449219 MB of memory in use. ENERGY: 1949000 739.4626 2095.4829 1940.3010 111.7035 -205930.2693 17581.7213 0.0000 0.0000 34102.4908 -149359.1071 297.8255 -183461.5980 -149262.4177 299.4263 -47.3071 -14.8600 557737.8597 9.6264 9.4212 PRESSURE: 1949200 39.4285 90.8739 -48.0862 90.8735 70.1555 -61.0985 -48.0862 -61.0993 -176.054 GPRESSURE: 1949200 42.0429 87.8135 -138.677 45.3372 91.7544 -106.266 -32.2813 -47.9451 -105.887 PRESSAVG: 1949200 -20.0121 56.2207 -41.6745 56.2207 75.4432 -5.56528 -41.6744 -5.56534 -60.0086 GPRESSAVG: 1949200 -19.8144 57.6948 -39.2161 52.6067 74.8953 -3.19128 -40.81 -6.47438 -59.8494 TIMING: 1949200 CPU: 5878.01, 0.00296979/step Wall: 5878.01, 0.00296979/step, 2.51674 hours remaining, 208.449219 MB of memory in use. ENERGY: 1949200 741.3756 2106.5495 1920.4412 108.1411 -206447.7283 17951.4202 0.0000 0.0000 34178.8722 -149440.9285 298.4926 -183619.8007 -149341.8755 298.7414 -22.1566 9.3035 557562.5367 -1.5258 -1.5895 PRESSURE: 1949400 -122.409 70.4926 46.948 70.4917 -95.9121 -231.516 46.947 -231.516 -163.632 GPRESSURE: 1949400 -92.2971 40.1185 73.4279 32.4909 -14.4409 -294.159 33.8244 -206.19 -170.789 PRESSAVG: 1949400 39.7159 27.9796 -11.899 27.9797 42.2309 -12.7509 -11.899 -12.751 -38.0532 GPRESSAVG: 1949400 38.9969 27.0463 -15.5198 30.3149 42.7345 -13.8488 -13.0837 -13.8814 -37.2644 TIMING: 1949400 CPU: 5878.61, 0.00299233/step Wall: 5878.61, 0.00299233/step, 2.53567 hours remaining, 208.449219 MB of memory in use. ENERGY: 1949400 727.2592 2107.5098 1930.2958 120.4145 -206077.8591 17643.2436 0.0000 0.0000 34035.8040 -149513.3322 297.2431 -183549.1363 -149419.3636 297.9138 -127.3178 -92.5089 557404.4897 14.6312 14.8223 PRESSURE: 1949600 -1.91593 -19.8522 -72.5019 -19.8526 -1.51207 209.003 -72.5021 209.005 -224.607 GPRESSURE: 1949600 46.3905 22.7475 -56.4289 -3.08879 53.1704 291.748 -44.7665 144.281 -216.715 PRESSAVG: 1949600 -14.0276 -21.7381 -58.1569 -21.738 7.34899 -15.9895 -58.1568 -15.9894 22.2923 GPRESSAVG: 1949600 -13.2638 -20.8996 -57.6297 -22.684 7.30735 -13.3042 -58.9196 -17.5474 21.1795 TIMING: 1949600 CPU: 5879.2, 0.0029785/step Wall: 5879.2, 0.0029785/step, 2.52378 hours remaining, 208.449219 MB of memory in use. ENERGY: 1949600 737.7892 2009.7453 1948.7927 121.2511 -206326.1560 17633.2814 0.0000 0.0000 34445.7892 -149429.5069 300.8236 -183875.2962 -149332.9482 298.5836 -76.0117 -39.0512 556942.7874 5.2045 5.0743 PRESSURE: 1949800 -372.652 103.782 -144.123 103.783 182.574 95.0594 -144.122 95.0598 -35.6454 GPRESSURE: 1949800 -329.528 150.694 -181.75 17.0282 193.532 138.941 -114.31 111.177 30.7119 PRESSAVG: 1949800 -39.6223 7.84372 -51.3458 7.84373 50.2343 8.36685 -51.3457 8.3671 -0.557079 GPRESSAVG: 1949800 -39.4663 6.27819 -49.361 10.7137 50.8939 6.07576 -51.6431 9.1673 -1.19658 TIMING: 1949800 CPU: 5879.8, 0.00299471/step Wall: 5879.8, 0.00299471/step, 2.53735 hours remaining, 208.449219 MB of memory in use. ENERGY: 1949800 690.8842 2102.9180 1903.8747 100.6555 -205914.1034 17479.6255 0.0000 0.0000 33984.7781 -149651.3675 296.7975 -183636.1456 -149556.5829 298.4033 -75.2412 -35.0949 557135.0585 3.3516 3.4103 PRESSURE: 1950000 87.4275 126.667 86.6806 126.667 -86.4009 12.2903 86.6801 12.2893 -86.4411 GPRESSURE: 1950000 88.2184 99.2971 65.7806 62.2759 -21.2337 -57.9732 161.521 -63.7985 -51.2462 PRESSAVG: 1950000 -117.798 27.8973 35.3227 27.8975 43.4768 -57.9937 35.3228 -57.9937 81.7035 GPRESSAVG: 1950000 -117.753 29.285 35.3951 26.4903 42.9546 -56.7215 36.5294 -56.7455 82.2332 TIMING: 1950000 CPU: 5880.4, 0.00300116/step Wall: 5880.4, 0.00300116/step, 2.54265 hours remaining, 208.449219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1950000 750.6866 2083.6820 1945.7578 110.4298 -206220.2479 17849.5124 0.0000 0.0000 33926.5497 -149553.6296 296.2890 -183480.1793 -149460.9482 298.3944 -28.4715 5.2462 558172.0993 2.4608 2.4784 PRESSURE: 1950200 93.213 137.39 -139.213 137.391 -336.95 -196.476 -139.212 -196.474 -238.638 GPRESSURE: 1950200 125.524 78.7554 -168.315 195.39 -298.896 -232.482 -73.1451 -178.046 -228.518 PRESSAVG: 1950200 -11.4737 6.50743 -56.6416 6.50745 -71.4508 1.16027 -56.6417 1.16028 103.66 GPRESSAVG: 1950200 -12.1194 4.82421 -55.9144 7.8083 -70.7672 0.976965 -56.7919 0.72446 103.502 TIMING: 1950200 CPU: 5881, 0.00301123/step Wall: 5881, 0.00301123/step, 2.55101 hours remaining, 208.449219 MB of memory in use. ENERGY: 1950200 774.5024 2112.9540 1912.5563 101.8499 -206646.5799 17828.7175 0.0000 0.0000 34308.2497 -149607.7501 299.6225 -183915.9998 -149512.4738 298.5843 -160.7919 -133.9631 557215.2448 6.9120 6.8719 PRESSURE: 1950400 198.67 -12.0421 -52.9309 -12.0428 50.8838 -73.9636 -52.9311 -73.9634 7.73393 GPRESSURE: 1950400 209.901 31.1321 -17.845 -98.0419 94.3407 -71.9803 -5.37005 11.1143 54.5071 PRESSAVG: 1950400 -14.6702 34.2457 -49.3317 34.2457 13.6932 -62.583 -49.3317 -62.5828 -5.28214 GPRESSAVG: 1950400 -15.1293 35.7716 -50.5669 32.3552 14.6809 -61.483 -49.7767 -62.9592 -6.3384 TIMING: 1950400 CPU: 5881.6, 0.0029963/step Wall: 5881.6, 0.0029963/step, 2.5382 hours remaining, 208.449219 MB of memory in use. ENERGY: 1950400 729.8442 2137.8164 1943.3605 124.4175 -206333.4420 17911.0897 0.0000 0.0000 34133.2462 -149353.6676 298.0941 -183486.9138 -149258.0335 298.1924 85.7627 119.5828 557008.7614 -2.0864 -2.2623 PRESSURE: 1950600 -266.69 98.3673 274.612 98.3657 -37.8829 15.8499 274.611 15.8513 -82.772 GPRESSURE: 1950600 -258.159 161.161 273.638 84.1658 34.2515 20.2626 175.167 -72.1557 -77.3707 PRESSAVG: 1950600 77.2361 29.5777 62.1282 29.5776 -55.1195 29.9121 62.1283 29.9121 -38.0718 GPRESSAVG: 1950600 77.1562 26.0982 61.2706 31.3341 -56.622 27.605 60.448 30.9048 -36.4413 TIMING: 1950600 CPU: 5882.2, 0.00297722/step Wall: 5882.2, 0.00297722/step, 2.52187 hours remaining, 208.449219 MB of memory in use. ENERGY: 1950600 743.7427 2087.5866 1940.3281 111.5765 -206112.9983 17689.8029 0.0000 0.0000 34160.4118 -149379.5497 298.3314 -183539.9615 -149284.6816 298.9464 -129.1151 -100.4262 558589.9703 -5.3184 -5.3023 PRESSURE: 1950800 -70.2311 66.747 14.0507 66.7466 -353.493 70.4121 14.0494 70.4109 -375.454 GPRESSURE: 1950800 -63.3508 58.764 21.6873 46.5515 -365.046 51.9498 83.7167 46.061 -274.854 PRESSAVG: 1950800 41.7991 -19.2531 32.9988 -19.2531 15.7948 19.9852 32.9989 19.9853 -21.2709 GPRESSAVG: 1950800 41.8309 -17.7607 32.5663 -19.2507 17.7284 21.1557 35.3736 20.3748 -22.7342 TIMING: 1950800 CPU: 5882.8, 0.00299334/step Wall: 5882.8, 0.00299334/step, 2.53536 hours remaining, 208.652344 MB of memory in use. ENERGY: 1950800 735.1944 2084.1504 1930.6631 111.0734 -205844.4004 17508.6018 0.0000 0.0000 34112.9451 -149361.7721 297.9168 -183474.7173 -149268.3119 298.1404 -266.3925 -234.4170 559176.8134 12.1077 12.2751 PRESSURE: 1951000 -88.4622 15.7186 -89.3317 15.7188 -64.9075 -35.568 -89.331 -35.5677 -27.6509 GPRESSURE: 1951000 -58.9737 -47.2117 -53.6127 92.9424 -60.6539 -34.5886 -150.76 13.648 39.6616 PRESSAVG: 1951000 38.9649 -43.9052 22.2418 -43.9053 -2.71292 17.8893 22.2417 17.8894 -17.3768 GPRESSAVG: 1951000 39.3912 -43.4594 22.047 -44.2546 -3.96738 18.2368 23.2117 17.9359 -16.1851 TIMING: 1951000 CPU: 5883.41, 0.00304793/step Wall: 5883.41, 0.00304793/step, 2.58143 hours remaining, 208.652344 MB of memory in use. ENERGY: 1951000 724.1212 2123.9998 1944.1040 129.2980 -206397.9311 17763.4610 0.0000 0.0000 34205.7171 -149507.2300 298.7270 -183712.9471 -149405.8443 298.5695 -60.3402 -26.6553 556864.8307 6.2917 6.4129 PRESSURE: 1951200 -121.868 3.76676 97.9481 3.76755 174.877 -74.1069 97.9472 -74.107 171.552 GPRESSURE: 1951200 -126.993 41.081 155.545 87.3114 188.296 -2.48075 93.9941 -123.54 249.35 PRESSAVG: 1951200 -30.0745 -4.09875 20.2628 -4.09872 32.3281 30.5126 20.2628 30.5127 -19.7188 GPRESSAVG: 1951200 -29.23 -4.64082 21.9648 -3.7482 33.5033 31.6903 17.8651 28.7588 -20.9853 TIMING: 1951200 CPU: 5884.01, 0.00301275/step Wall: 5884.01, 0.00301275/step, 2.55147 hours remaining, 208.652344 MB of memory in use. ENERGY: 1951200 702.1232 2051.5415 1945.0673 135.1269 -206488.8849 17957.4017 0.0000 0.0000 34178.5413 -149519.0829 298.4897 -183697.6242 -149427.0954 298.7058 74.8538 103.5512 556760.1702 -5.8217 -5.5707 PRESSURE: 1951400 28.4984 88.2904 -136.363 88.2909 30.7584 97.3332 -136.363 97.3337 -237.435 GPRESSURE: 1951400 31.7891 114.816 -67.1477 138.532 60.1277 125.613 -142.916 42.6041 -167.566 PRESSAVG: 1951400 -7.08684 -36.7901 -22.7496 -36.7901 34.6886 41.4704 -22.7496 41.4704 -33.5661 GPRESSAVG: 1951400 -7.74635 -35.8726 -23.4277 -37.6789 34.3736 41.8665 -23.0556 42.3455 -32.5829 TIMING: 1951400 CPU: 5884.61, 0.0030123/step Wall: 5884.61, 0.0030123/step, 2.55092 hours remaining, 208.652344 MB of memory in use. ENERGY: 1951400 755.8858 2026.1904 1948.3343 114.5195 -206468.0772 17977.7213 0.0000 0.0000 34255.3522 -149390.0736 299.1605 -183645.4258 -149280.0315 298.5739 -59.3928 -25.2165 557701.3886 -1.9881 -1.9852 PRESSURE: 1951600 239.618 -39.8942 -128.267 -39.8946 2.14625 -45.2149 -128.267 -45.2152 -70.9543 GPRESSURE: 1951600 249.609 -30.3657 -105.858 -18.9024 19.4726 -11.6753 -131.022 5.72185 -3.6082 PRESSAVG: 1951600 88.092 29.1519 -35.7109 29.1518 27.2148 35.6162 -35.7109 35.6161 -77.3934 GPRESSAVG: 1951600 88.0491 26.7464 -33.6573 30.3174 26.5953 34.7402 -35.6567 35.6629 -76.7708 TIMING: 1951600 CPU: 5885.21, 0.0029941/step Wall: 5885.21, 0.0029941/step, 2.53534 hours remaining, 208.652344 MB of memory in use. ENERGY: 1951600 713.5733 2032.2843 1961.6540 109.8749 -206346.2591 17847.0197 0.0000 0.0000 34283.3630 -149398.4899 299.4051 -183681.8529 -149306.2375 298.5709 56.9367 88.4912 556608.4523 12.6378 12.6245 PRESSURE: 1951800 284.69 -49.6123 156.546 -49.6125 247.965 123.917 156.546 123.917 115.265 GPRESSURE: 1951800 309.663 -45.5122 178.416 -58.3324 241.181 77.0121 223.857 193.175 188.938 PRESSAVG: 1951800 -26.4255 -12.9298 -11.8376 -12.9298 40.6072 15.997 -11.8376 15.997 13.1552 GPRESSAVG: 1951800 -26.7416 -11.7433 -12.0751 -13.8057 40.844 16.2436 -9.81315 14.3955 12.6343 TIMING: 1951800 CPU: 5885.81, 0.00297282/step Wall: 5885.81, 0.00297282/step, 2.51715 hours remaining, 208.652344 MB of memory in use. ENERGY: 1951800 744.6501 2113.7214 1938.6094 107.2126 -206788.0572 18057.0186 0.0000 0.0000 34272.5105 -149554.3347 299.3104 -183826.8452 -149459.0512 299.0450 215.9733 246.5940 555497.2306 9.1123 8.9123 PRESSURE: 1952000 237.649 88.8065 -88.6972 88.8064 155.897 -56.2424 -88.6982 -56.2422 130.255 GPRESSURE: 1952000 291.274 46.5227 -75.3862 156.465 176.814 -100.553 -43.3107 -2.44224 144.821 PRESSAVG: 1952000 -8.93689 1.75977 -18.604 1.75982 9.86393 8.9697 -18.6039 8.96976 -19.4873 GPRESSAVG: 1952000 -8.21119 2.50328 -19.0302 1.13082 8.81389 9.26083 -20.575 10.4654 -19.5623 TIMING: 1952000 CPU: 5886.4, 0.00297918/step Wall: 5886.4, 0.00297918/step, 2.52237 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: 1952000 737.0724 2129.9013 1949.1444 107.4818 -206744.2169 17912.1448 0.0000 0.0000 34291.3189 -149617.1533 299.4746 -183908.4722 -149515.9389 298.8663 174.6004 204.3031 553992.3630 -6.1868 -6.3199 PRESSURE: 1952200 -5.25541 -37.3344 32.6934 -37.333 -145.28 -94.2971 32.6917 -94.2978 4.1017 GPRESSURE: 1952200 40.4247 2.80177 61.0461 -89.2129 -145.103 -148.317 -8.36325 -70.8069 46.4132 PRESSAVG: 1952200 -4.75019 -29.219 -53.5454 -29.2189 -20.7417 32.0031 -53.5453 32.0031 52.9218 GPRESSAVG: 1952200 -4.79807 -28.0133 -55.1957 -28.1053 -20.1169 32.4877 -51.4418 31.3502 52.1294 TIMING: 1952200 CPU: 5887, 0.0029872/step Wall: 5887, 0.0029872/step, 2.529 hours remaining, 208.652344 MB of memory in use. ENERGY: 1952200 776.8730 2137.1135 1960.2708 135.8237 -206779.6079 17875.6271 0.0000 0.0000 34343.6170 -149550.2829 299.9313 -183893.8998 -149453.8832 298.7169 -48.8113 -19.4219 556666.0612 9.1433 9.0715 LDB: ============= START OF LOAD BALANCING ============== 5890.51 LDB: ============== END OF LOAD BALANCING =============== 5890.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5890.52 LDB: ============= START OF LOAD BALANCING ============== 5890.82 LDB: Largest compute 4800 load 0.029011 is 24.6% of average load 0.118045 LDB: Average compute 0.001731 is 1.5% of average load 0.118045 LDB: TIME 5890.82 LOAD: AVG 0.118045 MAX 0.206681 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.156 MB LDB: TIME 5890.82 LOAD: AVG 0.118045 MAX 0.206681 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.359 MB LDB: TIME 5890.82 LOAD: AVG 0.118045 MAX 0.206681 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.359 MB LDB: ============== END OF LOAD BALANCING =============== 5890.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5890.83 PRESSURE: 1952400 -127.236 4.98683 -188.904 4.98664 126.498 -87.8879 -188.904 -87.886 202.217 GPRESSURE: 1952400 -135.063 38.4239 -169.742 -17.6609 196.801 -140.71 -279.4 -63.3429 229.221 PRESSAVG: 1952400 -19.9149 11.2707 14.8566 11.2708 -29.7493 -21.0057 14.8566 -21.0056 40.8142 GPRESSAVG: 1952400 -20.9014 8.79197 15.6947 9.43231 -29.4955 -22.0783 15.5188 -19.2154 42.0919 TIMING: 1952400 CPU: 5887.61, 0.00306479/step Wall: 5887.61, 0.00306479/step, 2.59451 hours remaining, 208.644531 MB of memory in use. ENERGY: 1952400 763.3285 2107.4351 1948.7567 107.3002 -206592.7047 17903.5858 0.0000 0.0000 34173.6992 -149588.5992 298.4474 -183762.2984 -149496.9880 298.8247 67.1598 96.9865 555884.6189 -2.9500 -2.7683 PRESSURE: 1952600 -283.522 -98.034 22.9445 -98.035 -13.996 63.1612 22.9443 63.1621 119.854 GPRESSURE: 1952600 -204.473 -75.4148 109.422 -15.6625 -9.49537 80.5923 48.5261 22.0044 119.862 PRESSAVG: 1952600 15.7193 -3.10542 33.0138 -3.10534 -79.7746 8.48894 33.0137 8.48882 90.9345 GPRESSAVG: 1952600 15.3173 -2.11397 33.9441 -1.86239 -80.2504 7.48594 31.4105 7.42608 91.4401 TIMING: 1952600 CPU: 5888.22, 0.00302382/step Wall: 5888.22, 0.00302382/step, 2.55966 hours remaining, 208.644531 MB of memory in use. ENERGY: 1952600 750.9397 2056.4964 1956.8144 123.7587 -207268.0458 18190.5811 0.0000 0.0000 34454.5619 -149734.8935 300.9003 -184189.4554 -149633.4316 298.3325 -59.2212 -31.3688 556338.1183 8.9598 8.8356 PRESSURE: 1952800 67.9745 -207.214 -147.037 -207.214 -83.6432 -70.5191 -147.038 -70.518 220.985 GPRESSURE: 1952800 157.15 -138.164 -104.491 -211.878 -57.9283 -116.934 -91.5813 -46.8035 203.585 PRESSAVG: 1952800 44.15 -51.6223 -53.468 -51.6223 -21.6596 41.0066 -53.468 41.0067 -35.7859 GPRESSAVG: 1952800 43.7744 -52.7604 -53.7411 -51.139 -20.5671 43.9053 -53.2178 39.9382 -36.2295 TIMING: 1952800 CPU: 5888.82, 0.0029985/step Wall: 5888.82, 0.0029985/step, 2.53806 hours remaining, 208.644531 MB of memory in use. ENERGY: 1952800 732.1106 2076.8828 1926.7142 109.8914 -206823.5762 17938.9355 0.0000 0.0000 34388.8237 -149650.2180 300.3262 -184039.0417 -149543.3639 298.5568 68.4388 100.9357 556438.2587 -4.4318 -4.3407 PRESSURE: 1953000 -94.3428 -117.061 -181.194 -117.061 -404.355 -26.0682 -181.193 -26.0676 86.6161 GPRESSURE: 1953000 -49.2777 -86.2674 -185.361 -82.3807 -328.204 27.3626 -132.638 -24.809 63.714 PRESSAVG: 1953000 -22.6405 -3.44691 -20.5857 -3.44691 -61.63 16.3092 -20.5857 16.3092 52.0154 GPRESSAVG: 1953000 -21.0011 -2.76697 -23.2975 -1.59717 -62.1946 12.6858 -20.0764 19.2437 51.4652 TIMING: 1953000 CPU: 5889.41, 0.0029795/step Wall: 5889.41, 0.0029795/step, 2.52181 hours remaining, 208.644531 MB of memory in use. ENERGY: 1953000 748.0942 2133.6709 1965.0336 110.1949 -206389.4544 17788.9716 0.0000 0.0000 34105.5434 -149537.9459 297.8522 -183643.4892 -149436.9362 298.7202 -137.3606 -104.5893 557555.7569 -10.7517 -10.5769 PRESSURE: 1953200 191.078 -26.2197 153.528 -26.2208 -0.212576 -2.09861 153.526 -2.09717 -1.25668 GPRESSURE: 1953200 186.075 -55.359 183.636 -23.0725 45.1631 -26.0764 138.054 100.239 39.4909 PRESSAVG: 1953200 58.5909 -13.0915 25.4803 -13.0915 -50.4903 31.4646 25.4803 31.4647 -25.9619 GPRESSAVG: 1953200 57.7498 -11.8051 24.7137 -15.2751 -48.9857 34.3216 25.4194 30.5208 -27.0299 TIMING: 1953200 CPU: 5890.01, 0.00301335/step Wall: 5890.01, 0.00301335/step, 2.5503 hours remaining, 208.644531 MB of memory in use. ENERGY: 1953200 755.1175 2098.1532 1927.2334 106.7760 -206293.3426 17862.4892 0.0000 0.0000 34259.3689 -149284.2044 299.1956 -183543.5732 -149181.7801 298.7989 63.2029 90.2430 556652.1883 -5.9538 -6.0886 PRESSURE: 1953400 -72.8232 64.3982 -19.7048 64.3978 240.519 167.815 -19.7056 167.816 163.772 GPRESSURE: 1953400 -64.8377 35.7299 -20.5307 93.299 230.166 163.016 -5.75658 142.365 251.837 PRESSAVG: 1953400 29.4119 32.2945 54.7136 32.2945 -40.7969 32.3176 54.7135 32.3176 34.6327 GPRESSAVG: 1953400 29.3984 30.8668 56.8741 32.4903 -41.1303 30.3478 54.014 33.4694 35.0534 TIMING: 1953400 CPU: 5890.62, 0.00301818/step Wall: 5890.62, 0.00301818/step, 2.55422 hours remaining, 208.644531 MB of memory in use. ENERGY: 1953400 713.2553 2080.2284 1943.9709 125.1150 -206470.4207 18083.1264 0.0000 0.0000 34240.4454 -149284.2792 299.0303 -183524.7246 -149192.6404 299.0244 110.4894 139.0550 556733.6850 7.7492 7.7738 PRESSURE: 1953600 -61.7249 263.731 91.8296 263.73 -62.5074 86.6621 91.8292 86.664 149.37 GPRESSURE: 1953600 -69.1517 284.557 62.0688 295.324 10.0424 98.6357 133.341 147.824 183.837 PRESSAVG: 1953600 41.5732 -34.1027 -1.9918 -34.1028 12.2236 -27.6401 -1.99173 -27.64 -27.795 GPRESSAVG: 1953600 41.8345 -34.8354 -1.83991 -33.2645 11.7058 -26.4292 -1.69873 -28.9759 -26.8149 TIMING: 1953600 CPU: 5891.21, 0.00297716/step Wall: 5891.21, 0.00297716/step, 2.51934 hours remaining, 208.644531 MB of memory in use. ENERGY: 1953600 769.5818 2073.4557 1935.0147 131.9482 -206287.2806 17846.1701 0.0000 0.0000 34218.6916 -149312.4185 298.8403 -183531.1101 -149213.3401 298.8936 8.3794 41.5758 557941.2037 8.6673 8.9085 PRESSURE: 1953800 17.8976 -29.5082 -43.0007 -29.5088 234.259 -63.8983 -42.9985 -63.8989 -79.9047 GPRESSURE: 1953800 157.171 11.0089 -48.5599 -26.0923 236.977 -100.865 -21.3233 -44.8377 -125.212 PRESSAVG: 1953800 -39.9894 38.1909 -2.69887 38.1908 67.6602 18.2308 -2.69894 18.2307 -14.3044 GPRESSAVG: 1953800 -39.3878 40.446 -3.54942 36.3227 67.6002 18.2157 -2.45494 18.4315 -14.8882 TIMING: 1953800 CPU: 5891.81, 0.00298186/step Wall: 5891.81, 0.00298186/step, 2.52315 hours remaining, 208.644531 MB of memory in use. ENERGY: 1953800 746.3105 2091.8246 1954.4877 109.1440 -206411.7221 18029.6356 0.0000 0.0000 34106.1692 -149374.1506 297.8577 -183480.3198 -149276.1313 298.9226 57.4174 89.6450 558160.3259 4.4554 4.4414 PRESSURE: 1954000 -14.3083 -121.892 241.122 -121.892 30.7239 8.99786 241.122 8.99821 -328.206 GPRESSURE: 1954000 6.39233 -169.408 177.256 -92.7688 74.5392 12.824 241.787 68.5316 -293.822 PRESSAVG: 1954000 116.339 2.66604 26.9152 2.66601 -50.4976 -4.35549 26.9153 -4.35553 -44.4651 GPRESSAVG: 1954000 116.451 1.86604 28.4519 2.75091 -50.8131 -5.25314 27.102 -2.53651 -44.8434 TIMING: 1954000 CPU: 5892.41, 0.00300457/step Wall: 5892.41, 0.00300457/step, 2.5422 hours remaining, 208.644531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1954000 757.8660 2110.5146 1939.3809 110.6086 -206552.8314 17778.7888 0.0000 0.0000 34273.0874 -149582.5851 299.3154 -183855.6724 -149490.6570 298.9465 -103.9300 -70.9636 557734.7628 7.1255 6.9314 PRESSURE: 1954200 -387.849 -7.40887 172.76 -7.41108 -362.144 -64.7872 172.76 -64.7865 -32.0321 GPRESSURE: 1954200 -404.412 -15.1549 60.369 25.5291 -320.622 -80.3841 193.061 -2.52838 38.9296 PRESSAVG: 1954200 -32.049 -36.8113 71.2613 -36.8114 -24.962 16.7955 71.2613 16.7955 43.0983 GPRESSAVG: 1954200 -32.0877 -39.822 70.4662 -34.2491 -25.6431 16.8337 70.3038 15.0044 43.9584 TIMING: 1954200 CPU: 5893.01, 0.0029957/step Wall: 5893.01, 0.0029957/step, 2.53453 hours remaining, 208.644531 MB of memory in use. ENERGY: 1954200 806.6205 2050.8710 1947.3613 108.3970 -206125.3461 17592.4814 0.0000 0.0000 34215.3863 -149404.2287 298.8115 -183619.6149 -149307.3249 299.1504 -260.6750 -228.7014 556983.4612 -4.6375 -4.5908 PRESSURE: 1954400 -138.811 -148.865 -67.934 -148.865 -151.619 -50.7185 -67.934 -50.7183 46.9453 GPRESSURE: 1954400 -44.5826 -179.314 -2.46893 -150.556 -131.163 14.0632 -138.141 -72.2964 22.6508 PRESSAVG: 1954400 -22.0179 -7.77421 21.5329 -7.77424 -36.8078 -37.1941 21.5328 -37.1942 7.63639 GPRESSAVG: 1954400 -22.6988 -6.76518 21.4961 -7.83196 -36.0792 -35.1487 20.7735 -37.7432 7.27847 TIMING: 1954400 CPU: 5893.61, 0.00297962/step Wall: 5893.61, 0.00297962/step, 2.52076 hours remaining, 208.644531 MB of memory in use. ENERGY: 1954400 774.7325 2096.0543 1921.6658 122.7274 -206323.3586 17700.7756 0.0000 0.0000 34206.6816 -149500.7215 298.7355 -183707.4030 -149405.5934 298.3467 -81.1613 -51.0315 557131.9960 -17.0631 -17.1665 PRESSURE: 1954600 -88.6532 52.1182 250.952 52.1169 -74.5407 -140.288 250.951 -140.288 -110.43 GPRESSURE: 1954600 -51.1951 12.5015 186.587 105.454 -9.086 -133.582 339.609 -232.51 -119.913 PRESSAVG: 1954600 -35.1658 7.22061 45.7593 7.22059 49.3494 -21.9915 45.7594 -21.9915 15.996 GPRESSAVG: 1954600 -35.3257 7.62669 45.5927 7.50068 49.7583 -25.0767 44.8737 -21.8837 15.4496 TIMING: 1954600 CPU: 5894.21, 0.00301305/step Wall: 5894.21, 0.00301305/step, 2.54887 hours remaining, 208.644531 MB of memory in use. ENERGY: 1954600 748.8747 2111.8187 1917.1114 110.0538 -206576.7266 17887.4859 0.0000 0.0000 34252.9642 -149548.4178 299.1397 -183801.3820 -149451.6012 298.3225 -91.2080 -60.0646 557019.9866 10.0599 9.9607 PRESSURE: 1954800 219.59 25.8979 70.4717 25.8975 99.4974 35.6966 70.4721 35.6948 -191.302 GPRESSURE: 1954800 211.881 -112.36 176.894 168.023 118.732 54.2532 104.029 -15.5033 -102.782 PRESSAVG: 1954800 14.0259 52.2911 23.6944 52.2911 16.9322 -13.3577 23.6945 -13.3577 -4.88339 GPRESSAVG: 1954800 13.2358 52.8698 25.2251 48.8641 16.2407 -10.5961 23.1387 -14.1783 -3.35932 TIMING: 1954800 CPU: 5894.81, 0.00298649/step Wall: 5894.81, 0.00298649/step, 2.52624 hours remaining, 208.644531 MB of memory in use. ENERGY: 1954800 731.8231 2114.9260 1927.8888 105.2570 -206409.6853 17823.3081 0.0000 0.0000 34242.4629 -149464.0194 299.0479 -183706.4823 -149371.1312 298.8316 42.5951 75.9439 556423.0679 8.6916 8.7057 PRESSURE: 1955000 -120.557 -7.84253 -54.2279 -7.84338 114.404 -72.4674 -54.227 -72.4664 -70.8254 GPRESSURE: 1955000 -130.96 -70.8525 -45.3527 51.9387 217.969 -80.3584 -64.3499 -49.8631 -58.6406 PRESSAVG: 1955000 37.4375 10.6443 23.2092 10.6444 -27.2746 -31.5059 23.2092 -31.5059 -24.7227 GPRESSAVG: 1955000 37.0088 9.74967 23.6369 11.9126 -26.2275 -32.2851 25.1323 -31.4688 -25.1288 TIMING: 1955000 CPU: 5895.4, 0.00297651/step Wall: 5895.4, 0.00297651/step, 2.51763 hours remaining, 208.644531 MB of memory in use. ENERGY: 1955000 763.5245 2085.1103 1953.9716 122.4353 -206487.7766 17938.8307 0.0000 0.0000 34085.5804 -149538.3237 297.6779 -183623.9042 -149443.1242 298.6527 -25.6595 9.4562 557182.5434 -4.8533 -4.7825 PRESSURE: 1955200 47.9648 -129.887 -5.60407 -129.889 139.41 -106.469 -5.60478 -106.471 132.836 GPRESSURE: 1955200 140.082 -161.129 49.1422 -117.84 166.919 -141.717 -21.8301 -101.567 85.9417 PRESSAVG: 1955200 -4.34379 -73.6808 16.7759 -73.6808 2.28026 6.97226 16.776 6.97219 4.8491 GPRESSAVG: 1955200 -2.98266 -70.8039 16.785 -74.7279 1.28167 7.23581 15.8936 7.97149 4.48772 TIMING: 1955200 CPU: 5896, 0.00300213/step Wall: 5896, 0.00300213/step, 2.53914 hours remaining, 208.644531 MB of memory in use. ENERGY: 1955200 766.6926 2115.6172 1959.0832 108.8883 -207283.7050 18201.5038 0.0000 0.0000 34291.2870 -149840.6329 299.4743 -184131.9199 -149742.3631 298.7389 106.7368 130.9809 556462.0688 0.9285 0.9289 PRESSURE: 1955400 322.599 128.491 -52.0694 128.491 146.818 1.73717 -52.0694 1.73852 -204.337 GPRESSURE: 1955400 363.244 174.243 -71.871 197.373 199.64 -9.58727 -36.0369 -18.9852 -195.029 PRESSAVG: 1955400 -45.0161 14.1414 13.7408 14.1415 78.7502 29.2021 13.7408 29.202 -36.26 GPRESSAVG: 1955400 -45.2524 13.0254 13.4079 14.7952 79.7995 27.2825 15.4644 31.6676 -37.033 TIMING: 1955400 CPU: 5896.6, 0.00300859/step Wall: 5896.6, 0.00300859/step, 2.54443 hours remaining, 208.644531 MB of memory in use. ENERGY: 1955400 732.5752 2138.7430 1920.0296 103.9107 -206933.5524 18010.6581 0.0000 0.0000 34113.8364 -149913.7995 297.9246 -184027.6359 -149818.3690 297.6865 88.3599 122.6181 555146.6874 -0.8420 -0.8286 PRESSURE: 1955600 -103.379 10.4874 -124.161 10.4872 -105.3 72.8947 -124.16 72.8954 -76.9459 GPRESSURE: 1955600 -108.939 98.8145 -81.2977 -75.1011 -19.0789 53.5516 -114.11 107.192 -66.2601 PRESSAVG: 1955600 -29.0829 -8.51487 23.8386 -8.51491 36.885 56.7703 23.8385 56.7703 -7.91965 GPRESSAVG: 1955600 -29.4028 -9.13375 24.1915 -7.4086 36.2565 57.5657 23.6978 54.1297 -6.66082 TIMING: 1955600 CPU: 5897.2, 0.0029749/step Wall: 5897.2, 0.0029749/step, 2.51578 hours remaining, 208.847656 MB of memory in use. ENERGY: 1955600 761.5170 2107.2386 1941.9826 110.5671 -206812.3482 17770.3232 0.0000 0.0000 34168.6221 -149952.0976 298.4031 -184120.7197 -149851.6631 298.0615 -95.2080 -64.7592 554714.5130 -0.0392 0.0643 PRESSURE: 1955800 62.3893 104.171 262.692 104.171 -45.7447 129.429 262.693 129.428 -164.778 GPRESSURE: 1955800 74.9527 115.8 272.508 111.808 7.89904 170.569 183.969 174.1 -133.601 PRESSAVG: 1955800 -0.678783 65.1393 0.240933 65.1392 65.3292 25.0684 0.240905 25.0682 -25.3195 GPRESSAVG: 1955800 0.396502 66.2455 -1.569 64.4162 65.3727 23.475 -0.396856 26.3909 -26.3816 TIMING: 1955800 CPU: 5897.8, 0.00298978/step Wall: 5897.8, 0.00298978/step, 2.52819 hours remaining, 208.847656 MB of memory in use. ENERGY: 1955800 745.6245 2104.5403 1937.6980 107.4580 -206826.7946 17856.4524 0.0000 0.0000 34344.6275 -149730.3939 299.9402 -184075.0214 -149634.5558 298.5427 -49.3777 -16.9164 555446.4714 13.1103 13.1292 PRESSURE: 1956000 -218.058 -6.30597 45.172 -6.30511 263.305 60.1834 45.1728 60.1854 17.7641 GPRESSURE: 1956000 -121.607 -53.5208 87.8949 10.2973 231.256 81.687 145.913 33.2501 38.3316 PRESSAVG: 1956000 -8.45959 49.0515 26.8503 49.0515 -29.3245 72.0838 26.8502 72.0838 -36.387 GPRESSAVG: 1956000 -9.64373 47.4766 29.1151 49.8347 -29.8169 74.6702 26.7073 70.5317 -34.958 TIMING: 1956000 CPU: 5898.39, 0.00298179/step Wall: 5898.39, 0.00298179/step, 2.52127 hours remaining, 208.847656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1956000 720.3329 2084.5652 1926.2259 125.6671 -206737.1640 17912.4284 0.0000 0.0000 34216.5495 -149751.3949 298.8216 -183967.9444 -149657.2915 298.3063 21.0038 49.3268 556403.1045 -24.7237 -24.8062 PRESSURE: 1956200 -354.787 86.3996 5.92708 86.4003 -143.231 37.6377 5.9264 37.6388 -313.937 GPRESSURE: 1956200 -351.929 87.7349 9.63375 133.396 -78.5119 104.318 11.9706 39.5348 -286.636 PRESSAVG: 1956200 -17.7005 34.3932 -41.0752 34.3932 25.43 15.0461 -41.0752 15.0462 17.8133 GPRESSAVG: 1956200 -16.3891 33.9227 -41.2467 33.6424 25.6239 12.2888 -40.9435 16.3005 16.0658 TIMING: 1956200 CPU: 5898.98, 0.00295459/step Wall: 5898.98, 0.00295459/step, 2.49811 hours remaining, 208.847656 MB of memory in use. ENERGY: 1956200 769.5459 2101.8564 1928.0819 110.7942 -206259.1962 17514.5588 0.0000 0.0000 34121.3180 -149713.0408 297.9900 -183834.3588 -149612.3203 297.6297 -270.6517 -239.0256 556588.5027 8.5143 8.4335 LDB: ============= START OF LOAD BALANCING ============== 5902.5 LDB: ============== END OF LOAD BALANCING =============== 5902.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5902.5 LDB: ============= START OF LOAD BALANCING ============== 5902.79 LDB: Largest compute 4801 load 0.029560 is 25.0% of average load 0.118092 LDB: Average compute 0.001725 is 1.5% of average load 0.118092 LDB: TIME 5902.8 LOAD: AVG 0.118092 MAX 0.205676 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.191 MB LDB: TIME 5902.8 LOAD: AVG 0.118092 MAX 0.205676 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.191 MB LDB: TIME 5902.8 LOAD: AVG 0.118092 MAX 0.205676 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.191 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5902.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5902.8 PRESSURE: 1956400 -81.1114 13.3074 -43.7562 13.3089 0.297746 -51.7788 -43.7564 -51.7794 -226.456 GPRESSURE: 1956400 -69.9882 45.4107 -102.021 -12.5779 22.4324 -67.0464 -38.1155 -58.9098 -168.133 PRESSAVG: 1956400 49.2756 0.581814 -4.55058 0.581809 -16.9619 30.2372 -4.55048 30.2371 -35.1417 GPRESSAVG: 1956400 49.7671 2.21049 -4.30661 1.41491 -17.5873 31.4454 -5.70829 29.8362 -34.6423 TIMING: 1956400 CPU: 5899.59, 0.00301684/step Wall: 5899.59, 0.00301684/step, 2.55057 hours remaining, 207.757812 MB of memory in use. ENERGY: 1956400 765.4082 2117.1720 1940.0741 105.9331 -206595.7943 17780.9537 0.0000 0.0000 34184.2196 -149702.0336 298.5393 -183886.2532 -149601.0525 298.3996 -102.4233 -71.8961 555645.1610 -0.9427 -0.8209 PRESSURE: 1956600 52.2815 -13.923 162.072 -13.9225 -179.739 32.4445 162.071 32.4436 -63.2432 GPRESSURE: 1956600 102.878 -129.555 138.411 47.5013 -211.765 114.836 240.839 13.2543 17.8538 PRESSAVG: 1956600 -21.6902 9.17903 1.29638 9.1791 -2.71608 -28.2783 1.29635 -28.2782 18.0014 GPRESSAVG: 1956600 -21.27 10.2192 -2.34091 7.96348 -2.70949 -29.8662 5.48684 -28.6046 17.5825 TIMING: 1956600 CPU: 5900.18, 0.00297555/step Wall: 5900.18, 0.00297555/step, 2.51549 hours remaining, 208.218750 MB of memory in use. ENERGY: 1956600 721.6155 2110.3807 1902.9052 116.4300 -206542.6916 17793.1333 0.0000 0.0000 34182.3284 -149715.8985 298.5228 -183898.2269 -149618.0003 297.7822 -63.5669 -30.3444 555573.1060 -2.1349 -2.1323 PRESSURE: 1956800 -62.6414 145.778 -7.5236 145.776 -334.001 6.44357 -7.52353 6.44542 75.6107 GPRESSURE: 1956800 -72.2354 109.282 -125.469 212.416 -321.104 -100.558 48.288 43.6925 166.897 PRESSAVG: 1956800 13.5008 9.98799 -30.7258 9.98798 -44.6977 -15.3371 -30.7258 -15.3368 2.79677 GPRESSAVG: 1956800 12.5983 8.83246 -28.7338 9.7856 -44.1905 -15.6826 -33.6859 -13.7996 3.16893 TIMING: 1956800 CPU: 5900.79, 0.00303748/step Wall: 5900.79, 0.00303748/step, 2.56768 hours remaining, 208.218750 MB of memory in use. ENERGY: 1956800 760.1153 2063.5631 1936.6114 112.4786 -206661.5008 17669.0632 0.0000 0.0000 34345.7185 -149773.9506 299.9497 -184119.6691 -149674.2456 298.4396 -107.0104 -75.4807 556024.6316 -9.4667 -9.4744 PRESSURE: 1957000 17.3707 -21.3976 -9.99284 -21.3967 48.8335 17.9727 -9.99291 17.9714 93.7269 GPRESSURE: 1957000 80.6106 -62.5661 -14.4622 -80.0615 96.538 23.3884 -15.1835 -11.6927 80.1654 PRESSAVG: 1957000 28.9842 -52.9243 -54.5029 -52.9242 -61.9995 21.7842 -54.5028 21.7842 35.7546 GPRESSAVG: 1957000 29.1693 -53.8279 -55.0519 -52.6191 -62.2877 23.2674 -53.3482 19.8269 36.2751 TIMING: 1957000 CPU: 5901.39, 0.0030044/step Wall: 5901.39, 0.0030044/step, 2.53955 hours remaining, 208.218750 MB of memory in use. ENERGY: 1957000 720.4818 2086.3883 1965.1584 100.4252 -206741.6035 17975.1477 0.0000 0.0000 34219.7812 -149674.2209 298.8499 -183894.0021 -149580.6056 298.9243 53.3104 85.7713 556423.2967 0.9131 1.0522 PRESSURE: 1957200 138.166 -123.8 30.2739 -123.8 -291.26 82.3601 30.275 82.3593 116.353 GPRESSURE: 1957200 120.076 -123.983 36.4845 -162.64 -191.222 -26.8173 17.6314 118.76 131.08 PRESSAVG: 1957200 14.3068 -25.5257 -22.9183 -25.5257 -48.2962 38.8967 -22.9183 38.8968 60.4341 GPRESSAVG: 1957200 14.1814 -26.8739 -20.1124 -24.8939 -45.9858 37.8645 -25.0308 40.4864 58.5572 TIMING: 1957200 CPU: 5901.99, 0.00297904/step Wall: 5901.99, 0.00297904/step, 2.51795 hours remaining, 208.218750 MB of memory in use. ENERGY: 1957200 752.2735 2070.3932 1945.2265 111.9707 -206823.5369 18054.7808 0.0000 0.0000 34258.8817 -149630.0106 299.1913 -183888.8923 -149532.9794 298.8746 -12.2469 19.9779 557546.1222 8.8149 8.9176 PRESSURE: 1957400 110.144 89.7702 85.5533 89.7713 -117.157 61.3665 85.5525 61.3663 -127.06 GPRESSURE: 1957400 105.786 31.629 92.7477 167.6 -77.3743 75.2086 57.4895 51.1521 -67.4345 PRESSAVG: 1957400 10.8007 -10.5566 6.21921 -10.5565 47.5419 22.987 6.21933 22.987 -46.6076 GPRESSAVG: 1957400 10.3976 -9.11438 5.70253 -10.7311 46.9039 25.5616 8.1841 20.518 -45.6679 TIMING: 1957400 CPU: 5902.58, 0.00298341/step Wall: 5902.58, 0.00298341/step, 2.52148 hours remaining, 208.218750 MB of memory in use. ENERGY: 1957400 750.6155 2134.4048 1931.7376 106.6457 -206367.5560 17773.2507 0.0000 0.0000 34270.8062 -149400.0954 299.2955 -183670.9016 -149298.9098 299.0088 -44.6913 -13.0076 556906.6050 3.9117 3.8779 PRESSURE: 1957600 261.475 -25.1345 85.1076 -25.1352 16.9975 54.5034 85.106 54.5063 95.9426 GPRESSURE: 1957600 248.034 -90.2301 -21.8951 -6.33692 35.458 34.3086 136.623 29.799 201.377 PRESSAVG: 1957600 -43.5554 -73.3255 46.5147 -73.3255 58.1903 4.42425 46.5148 4.42433 -61.7061 GPRESSAVG: 1957600 -43.3328 -73.8049 45.1387 -73.2125 58.3206 1.6982 46.6011 5.52645 -62.1978 TIMING: 1957600 CPU: 5903.18, 0.00298049/step Wall: 5903.18, 0.00298049/step, 2.51885 hours remaining, 208.277344 MB of memory in use. ENERGY: 1957600 717.3651 2105.2078 1939.6841 106.2765 -206819.5003 18084.1896 0.0000 0.0000 34268.9587 -149597.8186 299.2793 -183866.7772 -149498.7917 298.5111 124.8049 161.6230 555523.3946 -15.6904 -15.7367 PRESSURE: 1957800 72.9434 11.1084 3.47632 11.1099 -36.8056 -149.547 3.47557 -149.547 18.1402 GPRESSURE: 1957800 65.5702 27.61 16.6017 77.8335 56.4694 -181.306 -14.2734 -120.153 38.6358 PRESSAVG: 1957800 10.0593 -26.9332 4.36121 -26.9332 48.7749 48.8109 4.36117 48.8109 -26.282 GPRESSAVG: 1957800 10.7154 -26.2592 4.82165 -28.1848 47.706 49.1944 5.24509 48.7097 -26.1209 TIMING: 1957800 CPU: 5903.78, 0.00299844/step Wall: 5903.78, 0.00299844/step, 2.53384 hours remaining, 208.277344 MB of memory in use. ENERGY: 1957800 748.7379 2105.9937 1939.1959 120.4233 -206227.8752 17756.6760 0.0000 0.0000 34003.0355 -149553.8129 296.9570 -183556.8484 -149454.6720 298.3654 18.0927 53.5585 557161.4789 10.8507 10.7668 PRESSURE: 1958000 94.9498 -2.32261 -8.74651 -2.32373 185.461 99.7557 -8.74764 99.7556 -317.38 GPRESSURE: 1958000 110.682 -6.93546 19.2049 -15.1358 227.141 94.0395 -79.2708 136.021 -270.994 PRESSAVG: 1958000 -3.43672 31.336 -10.5924 31.336 -18.5262 -11.3697 -10.5925 -11.3697 -15.153 GPRESSAVG: 1958000 -4.91224 31.0159 -9.16901 32.0805 -17.8957 -10.093 -10.8209 -14.3121 -13.936 TIMING: 1958000 CPU: 5904.38, 0.00299282/step Wall: 5904.38, 0.00299282/step, 2.52893 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: 1958000 719.0937 2115.4802 1925.4611 111.4778 -206532.1069 17817.1250 0.0000 0.0000 34140.0373 -149703.4317 298.1534 -183843.4690 -149610.8857 297.8239 -12.3232 22.2762 556581.3608 -12.3720 -12.2480 PRESSURE: 1958200 54.4681 63.8619 -72.4859 63.8606 286.188 126.451 -72.4853 126.452 17.5035 GPRESSURE: 1958200 106.012 13.6256 -83.6724 125.258 285.859 81.0819 -0.740343 186.718 66.3498 PRESSAVG: 1958200 31.8746 14.4345 -33.4014 14.4345 -5.57706 27.2683 -33.4015 27.2684 -31.5412 GPRESSAVG: 1958200 32.9059 12.8297 -32.0068 16.193 -4.90716 27.6036 -35.0395 29.5207 -32.5991 TIMING: 1958200 CPU: 5904.97, 0.00297421/step Wall: 5904.97, 0.00297421/step, 2.51304 hours remaining, 208.277344 MB of memory in use. ENERGY: 1958200 796.9664 2140.5248 1941.5361 117.8472 -206914.5350 18220.6276 0.0000 0.0000 34000.5025 -149696.5305 296.9348 -183697.0329 -149599.0290 298.0188 119.3864 152.7402 556033.2435 -1.7479 -1.5334 PRESSURE: 1958400 -185.379 -13.2688 16.7504 -13.269 98.0907 31.3196 16.7501 31.3191 -335.453 GPRESSURE: 1958400 -184.397 -54.9877 -49.7577 -60.7123 63.6234 54.3089 16.112 -78.8833 -202.396 PRESSAVG: 1958400 21.2567 -25.4581 16.0535 -25.4581 17.8255 10.426 16.0534 10.4261 -34.4702 GPRESSAVG: 1958400 21.6859 -23.465 14.1015 -27.2551 16.6183 7.98941 16.8665 10.2106 -34.011 TIMING: 1958400 CPU: 5905.57, 0.00297535/step Wall: 5905.57, 0.00297535/step, 2.51384 hours remaining, 208.277344 MB of memory in use. ENERGY: 1958400 754.1730 2125.0696 1954.1111 108.2342 -206327.5027 17666.9004 0.0000 0.0000 34120.3467 -149598.6678 297.9815 -183719.0145 -149502.2833 298.1222 -140.9138 -107.7232 557016.9783 1.5373 1.4311 PRESSURE: 1958600 22.9221 -40.9069 -11.5739 -40.907 310.154 -81.4882 -11.5743 -81.4893 186.685 GPRESSURE: 1958600 75.9937 -51.2639 52.196 -10.8865 336.779 -168.395 -66.817 -9.56006 206.912 PRESSAVG: 1958600 20.4892 -30.6955 6.27985 -30.6955 1.70303 -16.0749 6.27981 -16.0749 -6.11075 GPRESSAVG: 1958600 19.7252 -29.5956 8.07533 -31.6983 2.77235 -14.1842 6.22145 -16.6768 -5.91249 TIMING: 1958600 CPU: 5906.16, 0.00298449/step Wall: 5906.16, 0.00298449/step, 2.5214 hours remaining, 208.277344 MB of memory in use. ENERGY: 1958600 715.0040 2080.1187 1925.3653 111.4369 -206950.0263 18220.5292 0.0000 0.0000 34147.4984 -149750.0737 298.2186 -183897.5721 -149653.9963 297.9714 173.2537 206.5614 557057.8342 5.3605 5.5283 PRESSURE: 1958800 -258.827 255.646 72.6437 255.646 -283.044 18.1318 72.6448 18.1329 168.742 GPRESSURE: 1958800 -218.985 198.32 44.3495 212.348 -241.025 10.8144 40.1404 19.9339 180.33 PRESSAVG: 1958800 -48.7041 -21.8744 -48.9812 -21.8745 16.2211 -13.1032 -48.9812 -13.1032 43.5762 GPRESSAVG: 1958800 -46.7146 -24.5352 -50.8586 -21.092 15.3789 -13.67 -48.5565 -12.6892 42.4432 TIMING: 1958800 CPU: 5906.77, 0.00301683/step Wall: 5906.77, 0.00301683/step, 2.54855 hours remaining, 208.277344 MB of memory in use. ENERGY: 1958800 739.5573 2066.2626 1936.9205 105.3305 -206646.6537 17790.5734 0.0000 0.0000 34364.0170 -149643.9924 300.1095 -184008.0094 -149538.2097 297.5188 -124.3761 -93.2269 558133.7239 3.6977 3.7025 PRESSURE: 1959000 65.3142 -91.2169 -45.2342 -91.2161 36.2928 41.5091 -45.2344 41.5091 -14.3624 GPRESSURE: 1959000 112.168 -100.125 -88.6188 -69.6659 70.2698 67.4447 49.3028 22.4786 5.19122 PRESSAVG: 1959000 -25.2242 12.6925 -5.11679 12.6925 16.0203 -0.248331 -5.11674 -0.248352 -24.2551 GPRESSAVG: 1959000 -25.972 11.8803 -3.85565 12.0947 17.2528 -2.11633 -4.77526 1.74907 -24.852 TIMING: 1959000 CPU: 5907.37, 0.0030026/step Wall: 5907.37, 0.0030026/step, 2.53636 hours remaining, 208.277344 MB of memory in use. ENERGY: 1959000 767.1251 2097.6446 1933.1971 119.3163 -206701.9330 18029.3260 0.0000 0.0000 34037.6059 -149717.7179 297.2589 -183755.3238 -149627.9151 298.0043 29.0815 62.5431 555853.2831 -11.1530 -11.1904 PRESSURE: 1959200 26.3584 57.9723 49.3408 57.9726 -479.573 107.596 49.3407 107.596 -157.311 GPRESSURE: 1959200 83.1568 21.1406 65.379 80.7495 -431.03 168.382 36.86 115.79 -172.978 PRESSAVG: 1959200 47.5026 -46.187 4.39943 -46.187 -15.3652 22.6474 4.39952 22.6474 15.7232 GPRESSAVG: 1959200 46.7717 -44.8425 5.10501 -44.7758 -15.408 25.7412 4.36677 20.9282 16.4271 TIMING: 1959200 CPU: 5907.97, 0.00299696/step Wall: 5907.97, 0.00299696/step, 2.53144 hours remaining, 208.277344 MB of memory in use. ENERGY: 1959200 759.6172 2154.1285 1938.2211 115.8481 -206567.9702 17799.1232 0.0000 0.0000 34013.2921 -149787.7399 297.0465 -183801.0320 -149698.6983 298.4468 -203.5085 -173.6170 557018.4359 15.9535 15.9303 PRESSURE: 1959400 -190.118 -6.032 -81.8644 -6.03092 -207.108 -59.8287 -81.8659 -59.8296 45.0549 GPRESSURE: 1959400 -158.415 -23.604 -87.2682 -24.5392 -186.78 -139.941 -82.1566 -65.0353 82.7888 PRESSAVG: 1959400 -15.582 2.55957 -19.4866 2.55953 -50.93 25.0816 -19.4865 25.0817 55.9448 GPRESSAVG: 1959400 -15.2233 3.26817 -19.8996 3.18266 -52.1381 22.9115 -19.5326 26.9144 56.0239 TIMING: 1959400 CPU: 5908.57, 0.00299647/step Wall: 5908.57, 0.00299647/step, 2.53086 hours remaining, 208.277344 MB of memory in use. ENERGY: 1959400 800.1127 2117.9107 1950.0947 113.6710 -206394.8324 17719.5570 0.0000 0.0000 33974.9068 -149718.5795 296.7113 -183693.4863 -149630.2747 298.0407 -117.3904 -87.4687 556492.7467 -3.5224 -3.7792 PRESSURE: 1959600 -203.158 191.807 -45.4169 191.806 -126.966 77.9943 -45.4158 77.9941 -150.463 GPRESSURE: 1959600 -142.502 152.97 -36.9399 175.521 -139.223 66.3304 -73.9138 132.19 -98.2418 PRESSAVG: 1959600 -44.2089 -10.2078 -5.58836 -10.2077 19.0306 49.4883 -5.58839 49.4884 54.1989 GPRESSAVG: 1959600 -45.6169 -10.8585 -4.24794 -10.2165 20.0366 49.5258 -5.62561 49.1353 54.3587 TIMING: 1959600 CPU: 5909.16, 0.00299254/step Wall: 5909.16, 0.00299254/step, 2.52737 hours remaining, 208.277344 MB of memory in use. ENERGY: 1959600 759.0748 2081.5571 1941.1192 123.1049 -206530.7979 17643.8444 0.0000 0.0000 34245.7617 -149736.3358 299.0768 -183982.0975 -149634.3886 297.4761 -160.1956 -126.6556 556576.4390 9.6735 9.5928 PRESSURE: 1959800 93.7436 -108.485 -31.0559 -108.485 309.579 59.5558 -31.0562 59.5569 198.172 GPRESSURE: 1959800 126.626 -110.37 -42.2937 -80.4643 342.584 112.216 5.3722 1.24942 225.302 PRESSAVG: 1959800 -10.9489 2.52471 -20.5516 2.52471 -27.5689 34.3776 -20.5518 34.3778 50.6918 GPRESSAVG: 1959800 -11.0083 4.18659 -23.474 0.327112 -28.0061 35.8209 -20.8988 33.2261 51.5203 TIMING: 1959800 CPU: 5909.77, 0.00301113/step Wall: 5909.77, 0.00301113/step, 2.5429 hours remaining, 208.277344 MB of memory in use. ENERGY: 1959800 763.9625 2143.3032 1941.7867 113.2660 -206952.7192 18190.3923 0.0000 0.0000 34013.3312 -149786.6774 297.0469 -183800.0085 -149695.1202 298.1890 200.4981 231.5039 555072.0288 4.0580 4.1686 PRESSURE: 1960000 75.792 134.759 -4.73076 134.759 -248.288 136.358 -4.73133 136.357 -55.1899 GPRESSURE: 1960000 158.165 138.429 78.2291 190.892 -242.992 178.043 -99.214 123.386 -41.8765 PRESSAVG: 1960000 0.97281 9.23139 -33.7598 9.2314 18.4928 6.04121 -33.7597 6.04113 34.2217 GPRESSAVG: 1960000 2.23566 5.57927 -32.634 10.3493 18.1623 6.16108 -33.7343 5.50099 33.1616 TIMING: 1960000 CPU: 5910.37, 0.00299755/step Wall: 5910.37, 0.00299755/step, 2.53126 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: 1960000 728.1490 2148.6445 1929.8432 107.8111 -206570.4962 17828.1964 0.0000 0.0000 34075.0424 -149752.8095 297.5858 -183827.8519 -149661.5254 297.9870 -75.8953 -42.2345 557569.3326 17.8958 17.8532 PRESSURE: 1960200 27.9576 -21.4567 118.938 -21.4569 -10.0894 -18.3419 118.938 -18.3436 14.0144 GPRESSURE: 1960200 74.3097 50.4634 63.3219 18.6415 36.1091 143.151 107.6 -116.76 27.0352 PRESSAVG: 1960200 49.2032 -14.2068 -16.6011 -14.2069 -37.4757 22.3197 -16.6011 22.3196 28.3795 GPRESSAVG: 1960200 49.2053 -11.8038 -18.0883 -13.9338 -35.9882 22.1185 -16.0325 21.1315 27.3171 TIMING: 1960200 CPU: 5910.97, 0.00301271/step Wall: 5910.97, 0.00301271/step, 2.5439 hours remaining, 208.277344 MB of memory in use. ENERGY: 1960200 697.7928 2132.3612 1927.9166 107.8074 -206314.1907 17767.9654 0.0000 0.0000 33889.5140 -149790.8333 295.9656 -183680.3473 -149685.3753 297.4776 10.6275 45.8180 557080.5123 13.3690 13.5114 LDB: ============= START OF LOAD BALANCING ============== 5914.49 LDB: ============== END OF LOAD BALANCING =============== 5914.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5914.49 LDB: ============= START OF LOAD BALANCING ============== 5914.79 LDB: Largest compute 4801 load 0.029465 is 25.0% of average load 0.118095 LDB: Average compute 0.001730 is 1.5% of average load 0.118095 LDB: TIME 5914.79 LOAD: AVG 0.118095 MAX 0.206258 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 5914.79 LOAD: AVG 0.118095 MAX 0.206258 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.449 MB LDB: TIME 5914.79 LOAD: AVG 0.118095 MAX 0.206258 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.449 MB LDB: ============== END OF LOAD BALANCING =============== 5914.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5914.8 PRESSURE: 1960400 -87.0614 13.7039 -53.5623 13.705 319.156 -28.6208 -53.5624 -28.6214 134.138 GPRESSURE: 1960400 -92.3244 16.6219 -20.7284 -1.6933 403.941 -16.6261 -48.6734 -56.5397 142.027 PRESSAVG: 1960400 -76.8674 1.93206 41.1281 1.93205 82.7137 29.3809 41.128 29.381 -23.7538 GPRESSAVG: 1960400 -77.738 0.742442 41.7801 1.69548 82.6666 27.7161 39.1928 30.7126 -22.9934 TIMING: 1960400 CPU: 5911.58, 0.00306407/step Wall: 5911.58, 0.00306407/step, 2.58709 hours remaining, 208.207031 MB of memory in use. ENERGY: 1960400 766.9506 2142.8472 1946.9447 120.1964 -206980.0009 18199.8193 0.0000 0.0000 34076.6905 -149726.5522 297.6002 -183803.2427 -149628.5218 298.2647 122.0776 151.2147 556448.4640 -5.9692 -6.0216 PRESSURE: 1960600 -80.3111 122.145 142.386 122.143 -255.432 -155.254 142.387 -155.254 -292.497 GPRESSURE: 1960600 -80.9881 115.179 163.816 153.813 -182.062 -160.958 114.714 -170.792 -267.97 PRESSAVG: 1960600 -41.1285 6.47501 31.6376 6.475 42.982 4.99224 31.6376 4.99216 4.04693 GPRESSAVG: 1960600 -40.6703 7.57512 31.9088 6.57442 42.5348 6.28804 31.4487 3.31042 4.59157 TIMING: 1960600 CPU: 5912.18, 0.00299323/step Wall: 5912.18, 0.00299323/step, 2.52712 hours remaining, 208.335938 MB of memory in use. ENERGY: 1960600 779.7458 2069.8392 1946.1656 120.9119 -206535.4341 17747.1297 0.0000 0.0000 34311.8956 -149559.7463 299.6543 -183871.6420 -149455.5314 298.8342 -209.4134 -177.0069 557737.2996 1.9668 2.1520 PRESSURE: 1960800 68.1281 64.2566 -24.8018 64.2566 122.835 59.943 -24.8033 59.9435 20.7555 GPRESSURE: 1960800 151.641 31.5839 27.7373 116.162 105.211 -9.73655 -61.159 138.488 41.3651 PRESSAVG: 1960800 -19.361 -7.22869 18.6974 -7.22871 61.4786 26.3008 18.6975 26.3008 -21.1617 GPRESSAVG: 1960800 -18.1458 -7.61958 18.6964 -7.74127 60.3749 25.1823 19.2957 27.7949 -21.2434 TIMING: 1960800 CPU: 5912.78, 0.00300345/step Wall: 5912.78, 0.00300345/step, 2.53558 hours remaining, 208.335938 MB of memory in use. ENERGY: 1960800 769.2174 2136.1283 1921.6725 105.6664 -206442.4931 17719.0159 0.0000 0.0000 34134.4652 -149656.3274 298.1048 -183790.7926 -149559.9342 298.5929 70.5729 99.4057 556562.5180 6.9853 6.9952 PRESSURE: 1961000 -30.7557 7.81365 -25.6466 7.81452 -43.0461 -95.173 -25.6465 -95.1715 -422.559 GPRESSURE: 1961000 -37.0336 21.4545 12.5462 -12.5106 4.59576 -111.84 -45.1568 -136.672 -370.307 PRESSAVG: 1961000 35.1152 -5.12048 -38.0337 -5.12053 31.6051 -32.069 -38.0337 -32.0689 -71.2841 GPRESSAVG: 1961000 32.533 -2.64449 -37.1164 -7.95962 33.6586 -30.7249 -37.5144 -32.9776 -71.2103 TIMING: 1961000 CPU: 5913.38, 0.0029802/step Wall: 5913.38, 0.0029802/step, 2.51578 hours remaining, 208.335938 MB of memory in use. ENERGY: 1961000 731.3820 2112.3345 1921.5673 110.5685 -206351.3344 17546.3114 0.0000 0.0000 34173.1461 -149756.0245 298.4426 -183929.1707 -149656.8962 298.1117 -165.4535 -134.2482 557000.5540 -1.5213 -1.6729 PRESSURE: 1961200 134.353 12.7521 -11.6084 12.7514 -8.14002 -32.2473 -11.6075 -32.2468 -50.9456 GPRESSURE: 1961200 149.926 27.2281 -67.9178 121.668 34.0913 17.9427 77.6812 56.4574 -5.97995 PRESSAVG: 1961200 -18.5303 19.6604 26.286 19.6604 17.6202 2.44872 26.286 2.44877 -24.5903 GPRESSAVG: 1961200 -18.0417 17.289 25.2509 22.3198 16.5714 2.8647 26.7937 1.79388 -24.0684 TIMING: 1961200 CPU: 5913.98, 0.00299481/step Wall: 5913.98, 0.00299481/step, 2.52796 hours remaining, 208.335938 MB of memory in use. ENERGY: 1961200 776.2703 2123.4358 1904.5722 115.2275 -206880.6097 17966.2297 0.0000 0.0000 34410.4689 -149584.4054 300.5152 -183994.8743 -149491.8773 297.9460 25.0890 59.3457 555380.5822 -8.5001 -8.5129 PRESSURE: 1961400 -247.651 -39.0285 -37.7784 -39.0277 -207.357 151.847 -37.7773 151.847 -255.365 GPRESSURE: 1961400 -222.167 0.545467 -6.33968 -127.829 -138.733 75.5387 -44.4151 126.221 -257.82 PRESSAVG: 1961400 147.59 31.9828 23.4124 31.9829 21.1638 22.1271 23.4124 22.1271 -77.2855 GPRESSAVG: 1961400 148.964 31.3982 25.2604 32.188 20.6268 22.3364 23.058 22.3599 -78.2897 TIMING: 1961400 CPU: 5914.58, 0.00301594/step Wall: 5914.58, 0.00301594/step, 2.54562 hours remaining, 208.335938 MB of memory in use. ENERGY: 1961400 748.8235 2059.6244 1933.1161 122.8104 -205797.5554 17263.8936 0.0000 0.0000 34099.7417 -149569.5457 297.8015 -183669.2875 -149467.0382 298.7985 -236.7909 -206.2399 556125.4685 30.4895 30.4338 PRESSURE: 1961600 -132.049 120.333 -86.0208 120.333 -69.4046 -80.8684 -86.0204 -80.8676 -100.35 GPRESSURE: 1961600 -122.214 -26.4001 -102.112 161.055 -27.0176 -55.9336 20.8538 -111.152 -66.2112 PRESSAVG: 1961600 -5.82788 -19.7515 -43.1091 -19.7515 8.31532 -33.5864 -43.1091 -33.5863 -21.2535 GPRESSAVG: 1961600 -6.40425 -17.2094 -45.8641 -22.6262 7.80967 -33.8102 -41.5479 -34.4274 -20.7331 TIMING: 1961600 CPU: 5915.18, 0.00299387/step Wall: 5915.18, 0.00299387/step, 2.52682 hours remaining, 208.335938 MB of memory in use. ENERGY: 1961600 736.7412 2143.1570 1939.0921 120.6720 -206427.3374 17633.2362 0.0000 0.0000 34362.6253 -149491.8137 300.0974 -183854.4390 -149393.2227 299.4738 -100.6013 -71.8142 555424.5204 -6.2554 -6.4425 PRESSURE: 1961800 -167.824 -259.918 11.7552 -259.918 275.627 42.9913 11.7569 42.9897 -215.425 GPRESSURE: 1961800 -89.6206 -355.316 18.3763 -60.2224 306.63 46.7348 7.47998 52.5767 -211.504 PRESSAVG: 1961800 31.5412 -9.23624 17.0687 -9.23626 -46.5641 -20.9453 17.0687 -20.9454 25.3654 GPRESSAVG: 1961800 32.1534 -11.0937 18.2983 -5.66044 -45.8124 -22.0448 18.0955 -19.8189 24.3996 TIMING: 1961800 CPU: 5915.78, 0.0030292/step Wall: 5915.78, 0.0030292/step, 2.55648 hours remaining, 208.335938 MB of memory in use. ENERGY: 1961800 782.4995 2078.3963 1929.2819 113.8597 -206168.6446 17791.8499 0.0000 0.0000 33937.6110 -149535.1463 296.3856 -183472.7573 -149439.1106 298.6219 -35.8738 1.8352 555470.1760 3.4475 3.5802 PRESSURE: 1962000 320.808 -6.61848 60.552 -6.61835 -92.9353 50.1399 60.5518 50.1409 -267.528 GPRESSURE: 1962000 305.418 20.9615 37.3252 -1.80587 -50.1854 136.175 1.22287 -21.3141 -202.209 PRESSAVG: 1962000 -11.776 -81.4205 -25.9761 -81.4204 -13.5268 -24.6628 -25.9761 -24.6628 -5.65703 GPRESSAVG: 1962000 -12.3962 -81.9449 -24.5493 -80.4126 -12.8726 -23.5067 -30.2736 -26.4423 -5.59943 TIMING: 1962000 CPU: 5916.38, 0.00299747/step Wall: 5916.38, 0.00299747/step, 2.52953 hours remaining, 208.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1962000 797.5492 2079.7382 1943.8197 121.0891 -206614.9717 17784.7446 0.0000 0.0000 34216.8930 -149671.1380 298.8246 -183888.0309 -149577.6848 298.3966 -13.2183 17.6744 555554.0952 -10.3199 -10.2894 PRESSURE: 1962200 353.126 -56.2707 -50.5844 -56.2712 48.1666 4.05622 -50.5859 4.05665 125.39 GPRESSURE: 1962200 297.38 -66.9931 -45.1584 -86.9465 158.81 -107.626 -11.6551 35.1225 164.764 PRESSAVG: 1962200 -13.8078 32.5658 50.9978 32.5659 -10.418 9.99382 50.9979 9.99378 -6.3686 GPRESSAVG: 1962200 -14.7227 31.8464 51.8087 32.618 -9.61073 9.74158 53.4016 12.3775 -6.63639 TIMING: 1962200 CPU: 5916.98, 0.00298918/step Wall: 5916.98, 0.00298918/step, 2.52237 hours remaining, 208.335938 MB of memory in use. ENERGY: 1962200 748.9415 2103.5928 1908.5832 103.5185 -206631.5505 18105.9531 0.0000 0.0000 34180.2962 -149480.6653 298.5050 -183660.9615 -149383.7165 298.9819 175.5609 206.9845 556406.3253 -10.1981 -10.3233 PRESSURE: 1962400 -207.668 60.7018 209.614 60.703 27.2953 61.8572 209.614 61.8546 8.67619 GPRESSURE: 1962400 -124.305 60.1486 294.985 86.3728 72.9336 0.975647 197.437 87.2498 -17.8954 PRESSAVG: 1962400 6.55711 -37.968 73.6874 -37.9679 13.9905 6.19377 73.6874 6.19381 -19.3927 GPRESSAVG: 1962400 7.34856 -37.6816 70.5753 -39.2389 12.9464 6.67266 74.0036 4.67115 -19.1993 TIMING: 1962400 CPU: 5917.58, 0.00299169/step Wall: 5917.58, 0.00299169/step, 2.52432 hours remaining, 208.335938 MB of memory in use. ENERGY: 1962400 752.6491 2128.4885 1925.4033 125.4264 -206599.4511 17905.6267 0.0000 0.0000 34207.5944 -149554.2627 298.7434 -183761.8571 -149453.6937 298.4763 -57.2323 -23.0888 556675.4579 0.3850 0.3652 PRESSURE: 1962600 -248.495 -136.178 -53.2781 -136.18 53.1588 41.0156 -53.278 41.0144 47.4846 GPRESSURE: 1962600 -196.921 -213.083 -207.506 -67.4082 31.6033 42.3745 11.7847 16.2634 119.627 PRESSAVG: 1962600 -32.3553 5.18629 36.6658 5.18631 20.8003 13.2943 36.6659 13.2943 -23.5984 GPRESSAVG: 1962600 -31.94 5.62905 35.3831 5.62551 20.3257 12.8159 37.0427 12.5048 -23.4337 TIMING: 1962600 CPU: 5918.17, 0.00297368/step Wall: 5918.17, 0.00297368/step, 2.50896 hours remaining, 208.335938 MB of memory in use. ENERGY: 1962600 713.2117 2138.4062 1922.8967 108.8830 -206395.0413 17795.2337 0.0000 0.0000 34114.2537 -149602.1563 297.9283 -183716.4100 -149509.4706 298.7770 -49.2839 -15.2301 556904.3219 -11.7178 -11.6827 PRESSURE: 1962800 -27.4698 -104.191 1.25859 -104.192 98.1273 82.6577 1.25752 82.6565 -0.0564767 GPRESSURE: 1962800 57.8712 -24.0565 0.0467967 -102.891 85.336 -22.4747 32.8638 91.6831 35.0582 PRESSAVG: 1962800 28.1965 30.2019 -27.5905 30.2019 7.55846 43.8995 -27.5906 43.8996 -23.8551 GPRESSAVG: 1962800 27.4885 30.317 -26.667 30.4752 7.98081 45.5925 -27.3338 44.2315 -23.7258 TIMING: 1962800 CPU: 5918.77, 0.00298581/step Wall: 5918.77, 0.00298581/step, 2.51903 hours remaining, 208.335938 MB of memory in use. ENERGY: 1962800 792.3378 2108.6609 1913.1614 119.4650 -206905.1159 17976.1781 0.0000 0.0000 34374.7201 -149620.5926 300.2030 -183995.3127 -149523.5064 298.6800 23.5337 59.4218 555663.3378 3.9666 3.9145 PRESSURE: 1963000 248.085 32.104 35.5391 32.105 -33.2794 -29.0132 35.5384 -29.0136 -181.53 GPRESSURE: 1963000 244.323 12.2657 50.8908 45.2227 -16.969 43.1375 -32.1209 -9.64437 -92.6636 PRESSAVG: 1963000 3.22682 -35.9362 28.6171 -35.9363 16.5704 37.2931 28.6171 37.2931 0.30781 GPRESSAVG: 1963000 4.88189 -36.2147 29.904 -37.1261 15.9637 34.1318 28.7929 39.7064 -0.176515 TIMING: 1963000 CPU: 5919.37, 0.00300222/step Wall: 5919.37, 0.00300222/step, 2.53271 hours remaining, 208.335938 MB of memory in use. ENERGY: 1963000 727.8675 2082.4949 1952.6664 110.2252 -206363.1708 17798.6459 0.0000 0.0000 34144.0404 -149547.2306 298.1884 -183691.2710 -149450.0680 298.5586 11.0920 44.8969 555541.0770 6.7017 6.8897 PRESSURE: 1963200 139.87 -5.97947 -0.479115 -5.98018 -143.818 33.977 -0.478106 33.9778 -144.8 GPRESSURE: 1963200 128.727 -59.3903 -27.5928 24.1855 -131.344 132.086 -5.2551 30.4114 -39.826 PRESSAVG: 1963200 7.1237 2.83587 30.644 2.83588 -6.94783 10.1744 30.6439 10.1743 -31.1729 GPRESSAVG: 1963200 4.78052 4.41503 31.0062 4.20719 -5.8528 10.4509 28.7405 9.86322 -29.585 TIMING: 1963200 CPU: 5919.98, 0.00302983/step Wall: 5919.98, 0.00302983/step, 2.55583 hours remaining, 208.335938 MB of memory in use. ENERGY: 1963200 724.6100 2098.8804 1911.4697 114.8722 -206167.2470 17534.1148 0.0000 0.0000 34174.8470 -149608.4528 298.4574 -183783.2999 -149502.0892 298.4524 -49.5826 -14.1477 555273.6597 -10.3323 -10.2191 PRESSURE: 1963400 -167.154 97.6095 100.683 97.6103 -175.122 70.9454 100.682 70.9484 -167.758 GPRESSURE: 1963400 -113.357 73.4481 160.33 142.007 -138.723 49.5058 101.344 72.7274 -164.488 PRESSAVG: 1963400 66.7295 20.8796 -24.9722 20.8797 14.1562 56.155 -24.9722 56.155 -7.09352 GPRESSAVG: 1963400 66.5867 20.3425 -25.012 20.1562 15.5688 57.62 -24.8932 56.0576 -8.06364 TIMING: 1963400 CPU: 5920.57, 0.00298169/step Wall: 5920.57, 0.00298169/step, 2.51506 hours remaining, 208.335938 MB of memory in use. ENERGY: 1963400 745.2303 2140.4251 1917.6501 115.8720 -206235.8793 17514.1765 0.0000 0.0000 34224.2260 -149578.2992 298.8887 -183802.5252 -149475.4662 298.3613 -170.0111 -138.8558 554139.8625 24.5974 24.6973 PRESSURE: 1963600 101.038 11.2204 -94.7154 11.2215 152.664 -4.94091 -94.7157 -4.94009 -32.0797 GPRESSURE: 1963600 111.349 -42.6121 -66.1651 102.97 228.918 -16.5159 -152.857 -52.052 -21.0346 PRESSAVG: 1963600 -9.66842 43.6353 -22.1891 43.6353 -41.3263 -27.8218 -22.1891 -27.8218 37.7132 GPRESSAVG: 1963600 -7.66359 42.8286 -21.5496 42.131 -43.1973 -30.0844 -22.5676 -30.3123 37.1439 TIMING: 1963600 CPU: 5921.17, 0.00296658/step Wall: 5921.17, 0.00296658/step, 2.50214 hours remaining, 208.335938 MB of memory in use. ENERGY: 1963600 755.5697 2107.9492 1932.1877 105.6100 -206666.2787 18005.3362 0.0000 0.0000 34351.5953 -149408.0306 300.0010 -183759.6259 -149312.2966 299.4927 73.8741 106.4110 555045.0044 -4.4272 -4.5723 PRESSURE: 1963800 90.0573 -124.983 94.5142 -124.983 -30.8996 51.1001 94.5144 51.101 -1.17137 GPRESSURE: 1963800 143.004 -135.579 -16.347 -117.294 -18.8552 33.5617 105.306 111.641 35.4442 PRESSAVG: 1963800 9.59553 2.50242 8.00287 2.50245 -37.3195 5.20336 8.00286 5.20338 77.7832 GPRESSAVG: 1963800 9.0016 5.01311 5.64824 3.24124 -36.7684 7.18071 7.80383 5.29487 78.0179 TIMING: 1963800 CPU: 5921.76, 0.00298403/step Wall: 5921.76, 0.00298403/step, 2.5167 hours remaining, 208.335938 MB of memory in use. ENERGY: 1963800 722.1033 2066.6724 1946.9139 113.1369 -206334.0217 17663.3444 0.0000 0.0000 34287.7063 -149534.1445 299.4431 -183821.8508 -149429.9673 299.1663 19.3288 53.1977 554051.9109 16.6864 16.7504 PRESSURE: 1964000 -36.2243 46.6875 -70.161 46.6873 -347.262 85.4931 -70.1591 85.492 46.0344 GPRESSURE: 1964000 -61.0146 128.523 26.5117 40.2955 -278.423 135.304 -76.5126 39.45 101.264 PRESSAVG: 1964000 28.5951 -19.886 -22.312 -19.886 -129.506 8.30469 -22.3119 8.30474 110.909 GPRESSAVG: 1964000 27.858 -22.0158 -21.3407 -16.4958 -129.304 7.74862 -19.3902 8.37629 111.577 TIMING: 1964000 CPU: 5922.37, 0.00300867/step Wall: 5922.37, 0.00300867/step, 2.53732 hours remaining, 208.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1964000 757.1899 2067.7912 1937.2556 139.5784 -206560.4960 17787.5603 0.0000 0.0000 34206.1708 -149664.9497 298.7310 -183871.1205 -149571.0470 299.0874 -112.4838 -79.3915 556152.5434 3.3324 3.3771 PRESSURE: 1964200 -133.192 10.6587 90.2168 10.6588 75.6461 109.589 90.2175 109.587 -4.38105 GPRESSURE: 1964200 -58.8695 103.736 62.5951 -86.6345 52.4784 72.6658 104.594 112.331 47.4974 PRESSAVG: 1964200 46.9185 35.161 12.6241 35.1612 -85.15 -22.894 12.6242 -22.8941 50.337 GPRESSAVG: 1964200 47.9628 38.1453 11.6731 31.2308 -85.3326 -23.5919 12.6409 -22.9932 49.0007 TIMING: 1964200 CPU: 5922.96, 0.00299013/step Wall: 5922.96, 0.00299013/step, 2.52151 hours remaining, 208.335938 MB of memory in use. ENERGY: 1964200 775.9676 2039.6662 1932.6154 112.2633 -206355.8630 17593.2903 0.0000 0.0000 34118.0410 -149784.0193 297.9613 -183902.0603 -149686.8654 298.1552 -20.6422 13.7021 554215.9851 4.0351 3.8769 LDB: ============= START OF LOAD BALANCING ============== 5926.48 LDB: ============== END OF LOAD BALANCING =============== 5926.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5926.48 LDB: ============= START OF LOAD BALANCING ============== 5926.78 LDB: Largest compute 4801 load 0.028671 is 24.3% of average load 0.118086 LDB: Average compute 0.001723 is 1.5% of average load 0.118086 LDB: TIME 5926.78 LOAD: AVG 0.118086 MAX 0.207236 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.844 MB LDB: TIME 5926.78 LOAD: AVG 0.118086 MAX 0.207236 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.887 MB LDB: TIME 5926.78 LOAD: AVG 0.118086 MAX 0.207236 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.887 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5926.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5926.79 PRESSURE: 1964400 -32.1053 112.44 126.35 112.44 -205.606 -87.2602 126.351 -87.2601 -211.338 GPRESSURE: 1964400 -53.0384 91.7323 70.3616 114.16 -133.647 -17.2536 77.3108 -219.595 -162.631 PRESSAVG: 1964400 24.0442 -15.1655 15.4114 -15.1655 -41.3147 8.55779 15.4114 8.55774 -23.2481 GPRESSAVG: 1964400 22.6598 -17.7637 17.0871 -14.1939 -42.2062 8.0449 14.5231 7.84906 -21.6683 TIMING: 1964400 CPU: 5923.57, 0.00304351/step Wall: 5923.57, 0.00304351/step, 2.56636 hours remaining, 208.332031 MB of memory in use. ENERGY: 1964400 756.9830 2111.0722 1920.2093 106.3989 -206498.4576 17720.2606 0.0000 0.0000 33959.3464 -149924.1873 296.5754 -183883.5337 -149829.3664 297.4253 -149.6831 -116.4388 557725.6279 -13.5062 -13.7382 PRESSURE: 1964600 -178.095 -56.8893 192.475 -56.8901 -55.0572 61.7718 192.475 61.7702 -6.4499 GPRESSURE: 1964600 -143.439 -85.3326 177.71 -44.3558 -41.3276 31.5066 285.536 87.0087 33.2125 PRESSAVG: 1964600 87.7989 -48.096 23.6918 -48.096 -7.19224 -39.4873 23.6917 -39.4873 -27.3497 GPRESSAVG: 1964600 89.0578 -48.0032 23.2083 -47.4676 -8.3946 -38.0811 22.0756 -39.8177 -27.0513 TIMING: 1964600 CPU: 5924.17, 0.00298052/step Wall: 5924.17, 0.00298052/step, 2.51308 hours remaining, 208.332031 MB of memory in use. ENERGY: 1964600 724.1278 2139.4122 1928.0813 112.7004 -206696.6424 17812.4087 0.0000 0.0000 34054.2106 -149925.7013 297.4039 -183979.9119 -149830.2466 297.7638 -79.8675 -50.5179 555750.0022 17.7523 17.8706 PRESSURE: 1964800 132.043 53.1149 52.1055 53.1148 -200.344 12.8975 52.1055 12.8963 -219.965 GPRESSURE: 1964800 155.64 50.8909 63.9606 61.5907 -196.241 15.5408 63.9068 46.4473 -164.145 PRESSAVG: 1964800 13.7813 -14.3171 56.3812 -14.3171 -50.2946 3.66076 56.3813 3.66082 58.6174 GPRESSAVG: 1964800 13.3891 -14.5554 54.3821 -13.5533 -49.3786 3.58259 56.7645 5.05214 57.9406 TIMING: 1964800 CPU: 5924.77, 0.002985/step Wall: 5924.77, 0.002985/step, 2.51669 hours remaining, 208.332031 MB of memory in use. ENERGY: 1964800 772.9656 2130.3843 1910.2629 110.6780 -206739.8338 17702.2602 0.0000 0.0000 34183.1255 -149930.1574 298.5297 -184113.2829 -149832.6647 297.0430 -96.0887 -68.2487 555109.5329 7.3680 7.3170 PRESSURE: 1965000 208.085 236.872 -17.1406 236.872 -81.6634 51.9038 -17.1427 51.9034 568.99 GPRESSURE: 1965000 209.361 264.498 15.5838 214.327 -72.6552 74.5681 41.5738 134.07 650.984 PRESSAVG: 1965000 40.9623 7.11607 61.1963 7.11603 -71.146 11.6249 61.1962 11.6251 36.7233 GPRESSAVG: 1965000 40.6014 8.4205 64.289 5.34283 -71.3575 10.6651 59.8937 12.4131 37.262 TIMING: 1965000 CPU: 5925.37, 0.00299972/step Wall: 5925.37, 0.00299972/step, 2.52893 hours remaining, 208.332031 MB of memory in use. ENERGY: 1965000 722.9252 2109.4213 1919.7338 119.2922 -207158.6898 18083.0043 0.0000 0.0000 34244.0413 -149960.2718 299.0617 -184204.3131 -149857.0096 297.3321 231.8040 262.5634 554994.0713 2.1799 2.1686 PRESSURE: 1965200 -11.6584 33.1606 -95.7413 33.1617 -10.3953 24.4236 -95.7409 24.4256 -113.142 GPRESSURE: 1965200 41.9313 -86.0064 -143.511 122.546 3.18143 30.3682 -115.507 42.979 -88.5256 PRESSAVG: 1965200 -28.1644 41.2163 -68.6489 41.2165 -8.61251 -1.26098 -68.6488 -1.26086 5.66657 GPRESSAVG: 1965200 -28.7125 39.5533 -70.7951 42.2499 -9.2119 -1.31056 -66.7789 -1.12407 6.8025 TIMING: 1965200 CPU: 5925.97, 0.0030023/step Wall: 5925.97, 0.0030023/step, 2.53094 hours remaining, 208.332031 MB of memory in use. ENERGY: 1965200 746.1076 2131.1379 1914.0839 115.6694 -206945.3352 18024.9655 0.0000 0.0000 33934.6122 -150078.7587 296.3594 -184013.3709 -149987.7814 296.8090 -45.0653 -14.4710 555472.3987 -10.3701 -10.3740 PRESSURE: 1965400 -253.758 -120.807 29.5409 -120.806 -201.279 -229.077 29.5405 -229.076 -5.39985 GPRESSURE: 1965400 -198.657 -71.4303 -40.7004 -167.129 -165.891 -195.466 182.414 -190.922 5.01659 PRESSAVG: 1965400 -30.1713 -15.9293 15.2684 -15.9293 15.3094 -35.9786 15.2684 -35.9785 -50.4205 GPRESSAVG: 1965400 -28.5306 -14.8576 16.3369 -14.5666 15.8356 -36.172 15.9451 -36.204 -52.4756 TIMING: 1965400 CPU: 5926.57, 0.00299545/step Wall: 5926.57, 0.00299545/step, 2.52499 hours remaining, 208.332031 MB of memory in use. ENERGY: 1965400 761.5975 2059.0496 1947.9173 109.3086 -206797.2728 17896.8448 0.0000 0.0000 34068.1606 -149954.3945 297.5257 -184022.5551 -149858.8642 297.1355 -153.4790 -119.8437 556772.0866 -21.7608 -21.7235 PRESSURE: 1965600 -13.3382 214.073 -59.2867 214.075 -198.745 6.79942 -59.2849 6.80084 145.63 GPRESSURE: 1965600 -3.41536 163.801 -32.4793 231.744 -126.857 -21.985 -116.091 14.6803 162.851 PRESSAVG: 1965600 4.7262 10.1557 -71.424 10.1556 -31.0057 -36.9829 -71.4242 -36.9829 57.7122 GPRESSAVG: 1965600 3.04636 8.30251 -72.4276 11.7869 -29.4936 -35.7573 -73.959 -37.4373 58.0467 TIMING: 1965600 CPU: 5927.16, 0.0029699/step Wall: 5927.16, 0.0029699/step, 2.50329 hours remaining, 208.332031 MB of memory in use. ENERGY: 1965600 782.4436 2131.9385 1933.4317 116.6553 -206417.9882 17686.4616 0.0000 0.0000 33912.2876 -149854.7700 296.1644 -183767.0575 -149767.8030 297.4363 -22.1509 10.8594 555070.5603 10.4776 10.5332 PRESSURE: 1965800 119.021 143.561 114.698 143.561 -33.4744 -101.784 114.698 -101.785 162.211 GPRESSURE: 1965800 151.119 208.041 76.1925 131.882 -20.6166 -89.2995 148.576 -139.123 196.68 PRESSAVG: 1965800 -11.4816 21.6594 22.4169 21.6595 -69.8896 -16.7634 22.4169 -16.7634 46.6193 GPRESSAVG: 1965800 -11.6577 25.2193 22.2345 18.8128 -70.5555 -17.2852 24.4446 -18.6535 47.2585 TIMING: 1965800 CPU: 5927.76, 0.00298419/step Wall: 5927.76, 0.00298419/step, 2.51517 hours remaining, 208.332031 MB of memory in use. ENERGY: 1965800 743.4919 2124.1008 1951.5997 120.4866 -207215.8746 18107.8160 0.0000 0.0000 34299.3758 -149869.0039 299.5450 -184168.3797 -149767.5060 298.3089 82.5860 109.0608 556256.0592 -11.5840 -11.6515 PRESSURE: 1966000 291.987 -29.7995 -91.1135 -29.8004 177.851 11.8533 -91.1142 11.8516 259.358 GPRESSURE: 1966000 347.661 3.83827 -137.476 -26.9478 201.165 69.3084 -120.111 -9.74519 284.309 PRESSAVG: 1966000 24.3755 32.736 12.3212 32.736 -43.7439 -3.61368 12.3211 -3.61371 13.8177 GPRESSAVG: 1966000 25.5325 30.9802 14.1911 32.3729 -44.0047 -5.01105 10.7979 -3.41225 13.1656 TIMING: 1966000 CPU: 5928.36, 0.00300129/step Wall: 5928.36, 0.00300129/step, 2.52942 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: 1966000 783.5241 2080.6571 1952.8470 117.4596 -206940.2898 18229.0584 0.0000 0.0000 34276.4843 -149500.2593 299.3451 -183776.7435 -149407.1373 298.5922 243.0652 277.7117 555538.4610 -1.8502 -1.7689 PRESSURE: 1966200 -330.203 -1.41745 -115.673 -1.41886 -73.0598 34.5639 -115.674 34.5644 -158.342 GPRESSURE: 1966200 -286.222 13.7088 -105.263 53.9217 -50.9173 23.2848 -195.032 76.9343 -123.061 PRESSAVG: 1966200 4.10184 -15.674 -5.29235 -15.674 -40.2062 97.0137 -5.29239 97.0137 43.7225 GPRESSAVG: 1966200 3.73894 -16.7949 -6.62882 -14.1114 -40.0282 98.224 -3.90383 94.882 43.6662 TIMING: 1966200 CPU: 5928.95, 0.00297262/step Wall: 5928.95, 0.00297262/step, 2.5051 hours remaining, 208.332031 MB of memory in use. ENERGY: 1966200 763.1894 2174.3652 1937.0319 118.0387 -206104.2349 17665.9537 0.0000 0.0000 34138.8771 -149306.7789 298.1433 -183445.6560 -149210.1741 298.7894 -187.2014 -153.4001 558087.0064 2.5394 2.4590 PRESSURE: 1966400 -194.064 141.374 -75.4072 141.375 357.651 -27.3746 -75.4069 -27.375 -233.753 GPRESSURE: 1966400 -153.41 209.595 -57.5125 126.764 414.412 13.5521 -89.5401 -66.2867 -228.882 PRESSAVG: 1966400 -23.3673 12.922 11.1089 12.922 32.3325 77.4575 11.1089 77.4575 0.828107 GPRESSAVG: 1966400 -23.6148 13.7889 13.1911 12.5234 32.2057 75.9714 8.53739 79.8608 1.15282 TIMING: 1966400 CPU: 5929.55, 0.00300476/step Wall: 5929.55, 0.00300476/step, 2.53201 hours remaining, 208.332031 MB of memory in use. ENERGY: 1966400 786.1226 2125.8937 1967.8793 102.6623 -206138.1242 17835.5815 0.0000 0.0000 34110.8719 -149209.1129 297.8987 -183319.9849 -149113.1553 299.2854 -23.3886 10.7067 556780.5516 3.2644 3.2479 PRESSURE: 1966600 51.9394 181.908 -159.676 181.908 61.2248 -65.7343 -159.675 -65.7346 -78.288 GPRESSURE: 1966600 91.8517 201.469 -169.442 100.113 83.2746 -69.2738 -217.579 -32.9973 -35.429 PRESSAVG: 1966600 26.6749 38.0797 -17.6362 38.0798 -3.58639 -23.994 -17.6362 -23.9939 -12.5265 GPRESSAVG: 1966600 26.2644 37.6725 -18.4228 38.1966 -3.20041 -21.0859 -15.7828 -27.4584 -12.7877 TIMING: 1966600 CPU: 5930.15, 0.00301179/step Wall: 5930.15, 0.00301179/step, 2.53777 hours remaining, 208.332031 MB of memory in use. ENERGY: 1966600 735.1479 2091.0951 1931.0696 127.9750 -206186.8410 17944.0795 0.0000 0.0000 34067.3146 -149290.1593 297.5183 -183357.4739 -149197.2097 299.1711 11.6254 46.5658 558350.7954 3.5207 3.4254 PRESSURE: 1966800 -161.3 42.9041 99.3079 42.9039 189.694 -21.2067 99.3073 -21.2064 -260.425 GPRESSURE: 1966800 -118.303 58.7405 230.414 3.21878 200.783 -130.437 24.0252 28.6442 -211.564 PRESSAVG: 1966800 -69.6824 17.6823 -11.8233 17.6823 -2.3619 23.8374 -11.8233 23.8374 10.9103 GPRESSAVG: 1966800 -69.0141 16.372 -11.3388 18.2458 -2.82657 22.6464 -12.4129 25.3283 10.5544 TIMING: 1966800 CPU: 5930.75, 0.00298341/step Wall: 5930.75, 0.00298341/step, 2.51369 hours remaining, 208.332031 MB of memory in use. ENERGY: 1966800 804.5047 2058.7417 1935.6250 122.4434 -206044.6726 17783.0469 0.0000 0.0000 34072.1902 -149268.1207 297.5609 -183340.3109 -149175.1499 299.0565 -77.3440 -43.0277 558004.1989 -20.3780 -20.4287 PRESSURE: 1967000 -125.178 30.0704 -16.695 30.0696 -19.726 -39.6146 -16.6954 -39.6145 19.6302 GPRESSURE: 1967000 -90.8468 -2.7926 -12.8035 11.7736 20.9295 -26.2905 -62.2767 -18.6721 44.2801 PRESSAVG: 1967000 -2.11947 47.517 11.0536 47.5169 53.4105 2.32691 11.0537 2.32684 -21.7746 GPRESSAVG: 1967000 -1.54558 47.0782 10.8925 48.9137 52.8385 -0.441427 11.1904 5.01847 -21.5114 TIMING: 1967000 CPU: 5931.35, 0.00298293/step Wall: 5931.35, 0.00298293/step, 2.51312 hours remaining, 208.332031 MB of memory in use. ENERGY: 1967000 742.5734 2075.9784 1937.5980 112.6804 -206068.5957 17702.7469 0.0000 0.0000 34103.7807 -149393.2380 297.8368 -183497.0187 -149299.0902 298.9199 -41.7579 -8.5457 558022.7758 9.8388 9.9272 PRESSURE: 1967200 -62.0757 50.6144 48.6066 50.6146 -75.4115 48.5383 48.6076 48.5392 -190.645 GPRESSURE: 1967200 -53.9947 115.817 57.6679 -34.7646 -28.7345 -12.3102 16.6652 61.8322 -146.441 PRESSAVG: 1967200 26.198 29.447 -5.23561 29.4471 -18.1265 33.668 -5.2357 33.6681 -38.4281 GPRESSAVG: 1967200 25.5687 34.0034 -7.05177 24.4514 -17.4539 35.4347 -6.00513 33.6512 -38.8628 TIMING: 1967200 CPU: 5931.95, 0.00298737/step Wall: 5931.95, 0.00298737/step, 2.51669 hours remaining, 208.332031 MB of memory in use. ENERGY: 1967200 799.1279 2091.2794 1930.2041 110.4667 -206355.1345 17876.3404 0.0000 0.0000 34100.6326 -149447.0834 297.8093 -183547.7160 -149348.6892 298.4656 -109.3774 -76.3901 558142.6167 -10.1188 -10.2493 PRESSURE: 1967400 207.368 114.811 -59.4292 114.811 88.4888 38.3613 -59.4289 38.3605 28.0966 GPRESSURE: 1967400 266.277 144.263 -71.692 139.088 152.317 102.841 -78.8283 9.40626 6.50633 PRESSAVG: 1967400 18.1096 20.627 7.80955 20.6269 10.1516 -6.5857 7.80965 -6.58573 12.2827 GPRESSAVG: 1967400 16.4556 18.8763 7.57739 23.8575 11.8688 -5.7167 8.46636 -8.0308 12.8844 TIMING: 1967400 CPU: 5932.55, 0.00300449/step Wall: 5932.55, 0.00300449/step, 2.53095 hours remaining, 208.332031 MB of memory in use. ENERGY: 1967400 722.3356 2143.4481 1916.7234 124.8687 -206550.8021 18077.6460 0.0000 0.0000 34157.1285 -149408.6519 298.3027 -183565.7803 -149312.5694 298.7346 107.9846 141.7003 557326.2404 13.5146 13.7362 PRESSURE: 1967600 -54.8124 17.7477 37.0617 17.7485 -53.0739 0.314895 37.062 0.31454 -11.9285 GPRESSURE: 1967600 3.25183 27.8073 3.97648 72.1817 -41.6232 -72.1564 41.2759 45.9442 11.7615 PRESSAVG: 1967600 39.3396 -6.30744 -33.2706 -6.30748 -108.347 55.2487 -33.2705 55.2486 28.8335 GPRESSAVG: 1967600 41.3476 -5.92923 -31.3335 -5.72267 -109.839 53.7847 -33.1925 57.2218 28.7891 TIMING: 1967600 CPU: 5933.14, 0.00298562/step Wall: 5933.14, 0.00298562/step, 2.51488 hours remaining, 208.332031 MB of memory in use. ENERGY: 1967600 738.0597 2078.6137 1910.1424 114.7049 -206217.8749 17813.1195 0.0000 0.0000 34186.6603 -149376.5743 298.5606 -183563.2347 -149280.6188 298.5127 -39.9383 -8.8700 557985.2329 -13.3913 -13.2340 PRESSURE: 1967800 304.622 -20.8101 -54.0627 -20.8119 41.0779 100.325 -54.0625 100.325 365.313 GPRESSURE: 1967800 269.512 -14.9072 -65.3303 -49.5368 66.4729 93.3225 -63.3495 174.249 450.206 PRESSAVG: 1967800 13.0635 3.58317 -13.9757 3.58312 -42.7226 20.2063 -13.9757 20.2062 24.4329 GPRESSAVG: 1967800 12.5849 -0.0599649 -13.2158 5.69327 -42.572 21.5373 -14.6078 17.777 24.5351 TIMING: 1967800 CPU: 5933.74, 0.0029862/step Wall: 5933.74, 0.0029862/step, 2.51521 hours remaining, 208.332031 MB of memory in use. ENERGY: 1967800 711.0643 2128.2274 1920.0273 112.1434 -206681.9060 18283.8550 0.0000 0.0000 34240.6046 -149285.9840 299.0317 -183526.5886 -149191.4605 299.0363 237.0040 262.0636 557422.7096 -1.7420 -1.8173 PRESSURE: 1968000 424.241 144.519 -15.8782 144.519 106.083 97.5005 -15.8773 97.5013 -91.9235 GPRESSURE: 1968000 432 212.754 23.6963 107.737 180.783 107.621 -83.6336 136.089 -58.0192 PRESSAVG: 1968000 -21.7866 -23.1196 16.5557 -23.1197 20.5181 19.9705 16.5557 19.9706 3.04889 GPRESSAVG: 1968000 -21.0791 -18.7903 15.3281 -25.5678 21.7347 17.6191 18.1666 20.9041 1.53854 TIMING: 1968000 CPU: 5934.34, 0.00298753/step Wall: 5934.34, 0.00298753/step, 2.51617 hours remaining, 208.390625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1968000 707.5345 2131.9701 1932.6357 115.2882 -206430.2938 18071.9604 0.0000 0.0000 33988.1837 -149482.7212 296.8273 -183470.9049 -149403.0135 298.7157 146.1334 184.9213 557550.2417 0.5935 0.7314 PRESSURE: 1968200 136.772 63.954 15.7186 63.9535 170.044 -52.3651 15.7204 -52.364 -124.525 GPRESSURE: 1968200 199.59 26.8068 -78.3921 64.3402 163.401 -28.8765 47.5062 -40.3108 -94.9975 PRESSAVG: 1968200 -65.1795 12.8074 33.0172 12.8074 37.4022 -34.2697 33.0172 -34.2698 17.9892 GPRESSAVG: 1968200 -65.8866 11.6507 32.3896 13.3143 36.3418 -33.9061 32.1556 -32.7661 19.2618 TIMING: 1968200 CPU: 5934.94, 0.00299483/step Wall: 5934.94, 0.00299483/step, 2.52215 hours remaining, 208.390625 MB of memory in use. ENERGY: 1968200 765.3881 2098.2237 1914.6034 117.2319 -206448.6089 18001.0143 0.0000 0.0000 34267.3143 -149284.8333 299.2650 -183552.1476 -149194.3986 299.1618 60.7633 89.3311 556900.2822 -3.2627 -3.4277 LDB: ============= START OF LOAD BALANCING ============== 5938.45 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5938.45 LDB: =============== DONE WITH MIGRATION ================ 5938.46 LDB: ============= START OF LOAD BALANCING ============== 5938.76 LDB: Largest compute 4800 load 0.028847 is 24.4% of average load 0.118071 LDB: Average compute 0.001723 is 1.5% of average load 0.118071 LDB: TIME 5938.76 LOAD: AVG 0.118071 MAX 0.207956 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.016 MB LDB: TIME 5938.76 LOAD: AVG 0.118071 MAX 0.207955 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.047 MB LDB: TIME 5938.76 LOAD: AVG 0.118071 MAX 0.207955 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.047 MB LDB: ============== END OF LOAD BALANCING =============== 5938.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5938.77 PRESSURE: 1968400 104.559 103.534 -109.405 103.532 -163.183 120.74 -109.408 120.741 -92.7384 GPRESSURE: 1968400 81.8759 68.3353 -100.318 120.685 -87.672 23.7792 -150.941 160.534 -53.1764 PRESSAVG: 1968400 17.0418 -20.2485 31.5815 -20.2485 7.38013 -24.0336 31.5816 -24.0336 -22.3859 GPRESSAVG: 1968400 16.7543 -19.8645 31.2714 -20.7302 8.72694 -22.506 31.5255 -25.8254 -22.7165 TIMING: 1968400 CPU: 5935.55, 0.00306646/step Wall: 5935.55, 0.00306646/step, 2.5823 hours remaining, 208.527344 MB of memory in use. ENERGY: 1968400 748.4810 2064.6280 1928.2485 104.3849 -205902.9366 17870.0010 0.0000 0.0000 33838.7023 -149348.4909 295.5218 -183187.1932 -149245.8755 298.7165 -50.4544 -19.6575 558560.6700 0.6787 0.9216 PRESSURE: 1968600 211.889 3.81131 -139.35 3.81065 -422.716 -56.1709 -139.35 -56.1717 -16.7445 GPRESSURE: 1968600 254.472 -9.32103 -94.5862 1.76309 -330.957 -150.715 -97.4628 -71.3769 -51.2321 PRESSAVG: 1968600 -24.2144 17.0541 -8.13544 17.0541 21.8296 -37.239 -8.13538 -37.2389 3.56414 GPRESSAVG: 1968600 -24.0177 17.228 -7.77962 16.2539 21.2682 -35.6286 -7.79236 -39.0024 3.79911 TIMING: 1968600 CPU: 5936.15, 0.00301144/step Wall: 5936.15, 0.00301144/step, 2.5358 hours remaining, 208.527344 MB of memory in use. ENERGY: 1968600 742.4106 2064.8864 1941.0682 111.0475 -206088.4211 17680.4455 0.0000 0.0000 34271.0819 -149277.4810 299.2979 -183548.5630 -149183.7499 298.5341 -75.8574 -42.5724 558477.9872 0.3931 0.3499 PRESSURE: 1968800 4.24638 188.044 -74.8046 188.044 -152.938 -157.72 -74.8053 -157.719 195.518 GPRESSURE: 1968800 106.454 72.7229 62.6403 283.828 -123.841 -158.128 -140.579 -30.6226 180.594 PRESSAVG: 1968800 43.4797 50.978 -0.065774 50.9779 -0.297635 -11.3522 -0.0657334 -11.3522 10.1214 GPRESSAVG: 1968800 42.7433 48.9945 -0.455743 52.3569 0.739629 -12.8512 -0.0934421 -8.81366 9.674 TIMING: 1968800 CPU: 5936.75, 0.00299757/step Wall: 5936.75, 0.00299757/step, 2.52395 hours remaining, 208.527344 MB of memory in use. ENERGY: 1968800 712.7650 2056.8638 1944.0542 114.7763 -206298.3814 17936.9037 0.0000 0.0000 34114.5482 -149418.4702 297.9308 -183533.0184 -149323.0375 298.7340 15.6089 54.4023 557904.0092 17.7678 17.7190 PRESSURE: 1969000 -233.839 232.344 -74.0259 232.344 -215.264 119.591 -74.0267 119.591 -160.443 GPRESSURE: 1969000 -226.889 170.155 -117.021 272.411 -178.017 147.313 -7.03944 83.9989 -105.21 PRESSAVG: 1969000 26.459 -46.8775 11.5626 -46.8775 -31.4147 -28.07 11.5626 -28.07 12.5409 GPRESSAVG: 1969000 26.5132 -46.1944 11.4395 -48.4576 -32.2505 -26.9842 12.8344 -30.7087 13.4406 TIMING: 1969000 CPU: 5937.35, 0.00300997/step Wall: 5937.35, 0.00300997/step, 2.53423 hours remaining, 208.527344 MB of memory in use. ENERGY: 1969000 709.8770 2147.1926 1901.8201 113.3160 -206188.7563 17495.1533 0.0000 0.0000 34354.0887 -149467.3085 300.0228 -183821.3972 -149364.6438 297.8061 -203.1820 -170.0388 557264.2138 2.5284 2.5678 PRESSURE: 1969200 -39.6791 126.069 30.2507 126.07 -155.966 105.109 30.2514 105.108 93.7234 GPRESSURE: 1969200 23.9324 73.5354 39.6499 172.402 -113.204 49.0336 74.008 116.857 89.8849 PRESSAVG: 1969200 -8.10109 -3.227 18.7358 -3.22704 39.7099 8.47803 18.7359 8.47798 -4.63132 GPRESSAVG: 1969200 -7.15795 -3.44683 17.6334 -1.23588 38.6984 8.91313 17.9571 9.75564 -5.02904 TIMING: 1969200 CPU: 5937.95, 0.00298693/step Wall: 5937.95, 0.00298693/step, 2.51467 hours remaining, 208.527344 MB of memory in use. ENERGY: 1969200 744.8710 2094.7732 1921.9515 112.1072 -206288.4434 17736.5614 0.0000 0.0000 34410.8824 -149267.2967 300.5188 -183678.1791 -149175.6180 298.4073 -33.9738 0.2044 556895.4359 8.9925 8.8371 PRESSURE: 1969400 -119.72 -13.6582 -173.01 -13.6579 198.068 115.461 -173.011 115.461 268.978 GPRESSURE: 1969400 -43.5271 -76.3337 -183.369 4.02248 191.876 101.096 -139.83 106.811 310.124 PRESSAVG: 1969400 17.5882 12.6141 9.67337 12.6141 17.7796 38.6746 9.67333 38.6747 4.41962 GPRESSAVG: 1969400 17.9847 13.8008 11.1111 11.2173 18.0075 38.5092 7.93885 38.6554 3.57186 TIMING: 1969400 CPU: 5938.55, 0.00298077/step Wall: 5938.55, 0.00298077/step, 2.50931 hours remaining, 208.652344 MB of memory in use. ENERGY: 1969400 747.0684 2118.5075 1918.6699 114.4180 -206274.9391 17963.0449 0.0000 0.0000 34183.1892 -149230.0412 298.5303 -183413.2303 -149132.8280 299.1207 115.7755 152.8243 556569.1825 13.2625 13.1880 PRESSURE: 1969600 67.7736 -233.404 -77.7899 -233.402 -46.5609 -77.7669 -77.7897 -77.7676 138.341 GPRESSURE: 1969600 75.5314 -272.012 -103.853 -154.848 -14.6949 -99.6894 -172.687 -132.912 202.072 PRESSAVG: 1969600 -39.7525 -3.76297 -2.67084 -3.76299 34.9954 -6.53184 -2.67079 -6.5317 12.463 GPRESSAVG: 1969600 -39.6505 -5.92355 -3.79744 -2.16543 34.9358 -7.28364 -0.884205 -4.85099 12.1018 TIMING: 1969600 CPU: 5939.14, 0.00298604/step Wall: 5939.14, 0.00298604/step, 2.51358 hours remaining, 208.652344 MB of memory in use. ENERGY: 1969600 715.0260 2088.0365 1953.5059 94.6767 -206490.7306 17973.4015 0.0000 0.0000 34387.8415 -149278.2426 300.3176 -183666.0841 -149180.5299 299.4045 53.1846 87.6362 557238.4280 2.5686 2.4623 PRESSURE: 1969800 -21.0195 -115.329 57.681 -115.328 -93.6087 -17.768 57.6814 -17.7668 319.982 GPRESSURE: 1969800 12.4926 -110.911 58.3762 -66.8221 -65.1742 -36.9788 103.601 53.2547 351.675 PRESSAVG: 1969800 -43.7126 -56.1109 -35.2426 -56.1109 -38.3995 -19.0461 -35.2425 -19.0462 36.5793 GPRESSAVG: 1969800 -42.7258 -52.8855 -33.4751 -57.627 -38.0418 -19.7482 -35.9714 -20.4026 34.9157 TIMING: 1969800 CPU: 5939.74, 0.00297834/step Wall: 5939.74, 0.00297834/step, 2.50693 hours remaining, 208.652344 MB of memory in use. ENERGY: 1969800 722.8216 2187.7625 1940.9429 121.6522 -206487.8773 18134.9476 0.0000 0.0000 34261.6609 -149118.0896 299.2156 -183379.7505 -149023.3504 299.8922 68.4511 99.6645 557728.3226 -15.1776 -15.2840 PRESSURE: 1970000 209.134 45.6169 -0.0633582 45.6163 -140.917 -133.925 -0.063151 -133.925 178.617 GPRESSURE: 1970000 239.135 94.2304 -11.66 150.102 -175.233 -196.869 -60.1334 -77.3601 277.129 PRESSAVG: 1970000 11.1683 -13.0779 12.6516 -13.0779 7.45003 15.7734 12.6516 15.7735 -2.37835 GPRESSAVG: 1970000 9.30086 -14.2229 12.2437 -12.0785 7.36219 15.4427 13.4366 16.3985 -0.680356 TIMING: 1970000 CPU: 5940.34, 0.00300393/step Wall: 5940.34, 0.00300393/step, 2.52831 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: 1970000 765.0637 2098.0806 1918.7296 128.2715 -206060.2775 17858.2577 0.0000 0.0000 34200.1283 -149091.7461 298.6782 -183291.8744 -149002.6569 299.2920 82.2781 113.6770 557128.3149 5.4133 5.3276 PRESSURE: 1970200 -58.6982 -33.5539 28.1868 -33.5535 -316.408 -182.521 28.1874 -182.521 -191.468 GPRESSURE: 1970200 -54.8701 -78.953 4.63871 -36.3538 -263.471 -291.153 -1.7018 -139.911 -147.4 PRESSAVG: 1970200 29.6133 -35.2001 -29.646 -35.2001 -33.2348 -5.09525 -29.646 -5.09528 -55.6936 GPRESSAVG: 1970200 30.6912 -36.0124 -28.092 -36.4455 -33.9478 -6.90078 -32.2447 -4.47294 -55.5753 TIMING: 1970200 CPU: 5940.94, 0.00301247/step Wall: 5940.94, 0.00301247/step, 2.53532 hours remaining, 208.652344 MB of memory in use. ENERGY: 1970200 806.4554 2147.1107 1889.1098 109.8206 -206029.6685 17632.3284 0.0000 0.0000 34491.8508 -148952.9927 301.2259 -183444.8435 -148852.2832 300.4717 -188.8580 -155.2471 557292.7914 -19.7717 -19.6106 PRESSURE: 1970400 273.355 -77.7834 3.27062 -77.782 68.8921 66.9408 3.26893 66.9404 -171.475 GPRESSURE: 1970400 249.381 -24.3904 92.8138 -121.831 126.291 142.479 -100.921 75.9112 -111.64 PRESSAVG: 1970400 71.3785 -35.7791 -40.4454 -35.7791 17.0743 42.544 -40.4454 42.5441 -89.5898 GPRESSAVG: 1970400 71.0983 -33.4493 -41.6955 -34.4135 18.5444 43.9654 -38.6594 42.2375 -90.0291 TIMING: 1970400 CPU: 5941.55, 0.00302743/step Wall: 5941.55, 0.00302743/step, 2.54775 hours remaining, 208.652344 MB of memory in use. ENERGY: 1970400 723.2800 2085.9454 1935.2342 119.3417 -205778.4303 17687.9585 0.0000 0.0000 34025.1844 -149201.4860 297.1504 -183226.6705 -149103.4467 299.6945 56.9240 88.0109 556695.7759 -0.3790 -0.1288 PRESSURE: 1970600 -98.367 62.4272 -225.441 62.4273 57.2294 115.658 -225.44 115.657 86.784 GPRESSURE: 1970600 -35.4575 40.9073 -213.997 146.696 50.9103 71.5784 -263.166 96.4948 133.652 PRESSAVG: 1970600 17.2861 2.16223 -12.7947 2.16221 -32.9442 13.9193 -12.7946 13.9193 46.0849 GPRESSAVG: 1970600 16.6712 -0.962073 -13.8552 1.97049 -33.1689 13.2545 -12.8158 13.5696 47.1848 TIMING: 1970600 CPU: 5942.15, 0.00300843/step Wall: 5942.15, 0.00300843/step, 2.5316 hours remaining, 208.855469 MB of memory in use. ENERGY: 1970600 753.8947 2084.2749 1926.1490 121.3263 -206188.9649 17782.6463 0.0000 0.0000 34518.1577 -149002.5159 301.4557 -183520.6736 -148908.2715 299.5973 15.2155 49.7017 558797.4877 10.1423 10.2290 PRESSURE: 1970800 -21.4882 52.9868 -89.4693 52.987 -148.098 -34.1377 -89.4692 -34.1367 217.052 GPRESSURE: 1970800 47.7949 163.51 -133.562 20.4794 -125.187 -41.4899 -129.764 -49.869 210.844 PRESSAVG: 1970800 -28.3316 37.4129 -8.70641 37.413 31.3782 18.2659 -8.70647 18.2658 -29.052 GPRESSAVG: 1970800 -27.6301 39.0323 -9.04893 37.1081 30.7362 19.263 -7.53269 18.7979 -29.1159 TIMING: 1970800 CPU: 5942.75, 0.0030071/step Wall: 5942.75, 0.0030071/step, 2.53031 hours remaining, 208.855469 MB of memory in use. ENERGY: 1970800 799.7276 2059.9837 1906.1892 109.8985 -205994.5111 17815.7451 0.0000 0.0000 34305.3628 -148997.6042 299.5973 -183302.9670 -148897.2929 299.7686 15.8218 44.4842 557715.4858 -8.6685 -8.6699 PRESSURE: 1971000 -65.6952 27.5138 -17.3617 27.5141 -158.416 -150.295 -17.3626 -150.295 101.262 GPRESSURE: 1971000 -20.8108 62.4107 23.7281 12.3574 -99.3434 -179.268 13.4354 -153.932 101.116 PRESSAVG: 1971000 70.8562 36.0424 -0.428269 36.0426 -27.242 7.12123 -0.428294 7.12129 -29.1624 GPRESSAVG: 1971000 71.3038 35.3473 0.383145 36.5058 -27.3349 8.55925 -1.61817 4.75512 -30.1893 TIMING: 1971000 CPU: 5943.36, 0.00303774/step Wall: 5943.36, 0.00303774/step, 2.55592 hours remaining, 208.855469 MB of memory in use. ENERGY: 1971000 784.3591 2103.3743 1929.0965 119.8161 -205973.9094 17694.8189 0.0000 0.0000 34434.6200 -148907.8245 300.7261 -183342.4445 -148814.3844 300.2002 -40.9498 -6.3462 556738.1175 4.8173 4.5932 PRESSURE: 1971200 -39.1337 -131.651 -18.6807 -131.651 0.141839 -39.7595 -18.68 -39.7585 -280.502 GPRESSURE: 1971200 0.0831897 -186.521 -112.083 -131.648 5.18156 -61.1122 33.4025 -40.1095 -220.21 PRESSAVG: 1971200 0.7904 -54.6602 9.60273 -54.6602 -6.78776 -0.687404 9.60277 -0.687357 11.1822 GPRESSAVG: 1971200 -0.125367 -55.4069 7.7767 -54.6505 -6.33936 -2.81752 13.0714 2.35484 11.5065 TIMING: 1971200 CPU: 5943.97, 0.00302992/step Wall: 5943.97, 0.00302992/step, 2.54917 hours remaining, 208.855469 MB of memory in use. ENERGY: 1971200 724.6831 2149.0232 1932.9990 116.6998 -205608.8333 17632.5195 0.0000 0.0000 34305.7756 -148747.1332 299.6009 -183052.9088 -148651.3892 300.9460 -106.4978 -71.6486 557887.5880 1.7283 1.6806 PRESSURE: 1971400 13.8039 -23.6065 -53.8289 -23.6067 -164.83 75.0824 -53.8276 75.084 -272.056 GPRESSURE: 1971400 -15.7561 -59.7764 -127.359 -72.5007 -116.762 147.897 -4.27004 -35.3564 -201.933 PRESSAVG: 1971400 74.1754 4.41405 -23.098 4.41408 -11.0512 28.6653 -23.098 28.6653 -31.9076 GPRESSAVG: 1971400 72.8775 5.42988 -21.4581 3.55647 -11.061 30.8539 -27.9643 26.1171 -31.4525 TIMING: 1971400 CPU: 5944.57, 0.00302056/step Wall: 5944.57, 0.00302056/step, 2.54113 hours remaining, 208.855469 MB of memory in use. ENERGY: 1971400 759.0019 2055.7811 1911.2646 113.9116 -205632.2178 17615.9254 0.0000 0.0000 34384.3789 -148791.9543 300.2873 -183176.3332 -148694.7869 300.5167 -141.0275 -111.4836 558998.8498 10.4055 10.1213 PRESSURE: 1971600 -367.796 -212.928 -203.143 -212.928 90.6376 100.335 -203.143 100.335 -13.9192 GPRESSURE: 1971600 -338.388 -250.169 -148.329 -97.2545 156.046 87.7012 -260.601 128.745 -13.1386 PRESSAVG: 1971600 6.95575 -1.23532 33.6463 -1.23547 -18.8052 18.9974 33.6462 18.9974 27.2677 GPRESSAVG: 1971600 8.57695 -1.59516 33.8132 -1.06143 -19.0217 16.1267 33.9372 20.9825 25.8759 TIMING: 1971600 CPU: 5945.17, 0.00300092/step Wall: 5945.17, 0.00300092/step, 2.52444 hours remaining, 208.855469 MB of memory in use. ENERGY: 1971600 744.9383 2072.8944 1964.0286 108.4754 -205720.6417 17699.2759 0.0000 0.0000 34291.1304 -148839.8988 299.4730 -183131.0292 -148738.3855 300.3828 -97.0260 -65.1600 559434.4816 5.1394 5.1437 PRESSURE: 1971800 -114.209 -149.126 -0.784778 -149.127 -183.819 16.3245 -0.785831 16.3253 -246.281 GPRESSURE: 1971800 -94.1477 -173.153 5.38318 -161.835 -131.547 -0.0387909 9.81738 -42.0779 -224.616 PRESSAVG: 1971800 -68.4246 -18.3865 -15.5778 -18.3865 20.614 -11.4595 -15.5777 -11.4593 79.2958 GPRESSAVG: 1971800 -68.9292 -17.5362 -14.017 -19.958 20.3698 -10.6468 -13.7291 -12.5426 79.4238 TIMING: 1971800 CPU: 5945.77, 0.0029897/step Wall: 5945.77, 0.0029897/step, 2.51484 hours remaining, 208.855469 MB of memory in use. ENERGY: 1971800 739.1164 2152.0926 1945.3113 117.1835 -205945.8322 17697.4312 0.0000 0.0000 34522.6321 -148772.0651 301.4947 -183294.6972 -148673.8490 300.5861 -181.4360 -150.1036 559169.7860 10.4951 10.2881 PRESSURE: 1972000 -106.571 44.9564 -169.791 44.9562 -9.07364 -97.903 -169.791 -97.9018 -140.512 GPRESSURE: 1972000 -52.6248 44.5907 -148.829 34.8013 14.7201 -66.5531 -170.934 -130.396 -115.877 PRESSAVG: 1972000 -14.6835 -18.3825 34.9893 -18.3825 42.6625 -22.4401 34.9892 -22.4401 16.5993 GPRESSAVG: 1972000 -14.7185 -18.9137 35.2011 -16.0127 42.7375 -21.4503 34.0166 -23.6355 16.3985 TIMING: 1972000 CPU: 5946.37, 0.00301085/step Wall: 5946.37, 0.00301085/step, 2.53246 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: 1972000 767.4236 2127.6094 1929.8863 110.2266 -205737.5190 17696.8626 0.0000 0.0000 34216.9402 -148888.5704 298.8250 -183105.5106 -148786.3892 299.7298 -85.3857 -51.2607 558670.2901 14.8594 14.8058 PRESSURE: 1972200 -291.735 -20.8418 -3.38799 -20.841 -88.4435 113.27 -3.38848 113.271 12.2709 GPRESSURE: 1972200 -265.624 0.540759 -29.1056 45.5366 -27.2416 132.883 -4.8553 128.659 35.9868 PRESSAVG: 1972200 -8.06887 -65.8868 -4.0442 -65.8867 38.8781 -32.7984 -4.04423 -32.7983 -17.347 GPRESSAVG: 1972200 -7.04184 -65.9179 -5.55506 -66.2453 38.7341 -31.6139 -3.00317 -31.8375 -18.1151 TIMING: 1972200 CPU: 5946.97, 0.00300475/step Wall: 5946.97, 0.00300475/step, 2.52717 hours remaining, 208.855469 MB of memory in use. ENERGY: 1972200 759.0149 2106.2231 1954.7570 115.5067 -206101.8706 17724.8178 0.0000 0.0000 34268.8873 -149172.6638 299.2787 -183441.5511 -149072.3000 300.2077 -122.6358 -85.6263 557231.2727 4.4874 4.5257 LDB: ============= START OF LOAD BALANCING ============== 5950.49 LDB: ============== END OF LOAD BALANCING =============== 5950.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5950.49 LDB: ============= START OF LOAD BALANCING ============== 5950.79 LDB: Largest compute 4800 load 0.028151 is 23.8% of average load 0.118095 LDB: Average compute 0.001722 is 1.5% of average load 0.118095 LDB: TIME 5950.79 LOAD: AVG 0.118095 MAX 0.202942 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.336 MB LDB: TIME 5950.79 LOAD: AVG 0.118095 MAX 0.202942 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.336 MB LDB: TIME 5950.79 LOAD: AVG 0.118095 MAX 0.202942 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.336 MB LDB: ============== END OF LOAD BALANCING =============== 5950.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5950.8 PRESSURE: 1972400 -8.41534 -89.5858 26.873 -89.588 -204.851 172.511 26.8725 172.511 -347.754 GPRESSURE: 1972400 49.7498 -88.3562 74.871 -45.5301 -209.488 145.759 -35.6292 108.56 -314.069 PRESSAVG: 1972400 -7.20035 38.3161 30.4521 38.3162 -16.6993 3.90405 30.4522 3.90391 -4.9735 GPRESSAVG: 1972400 -7.53864 40.3549 31.6931 36.5587 -16.4166 0.419477 29.7698 2.8887 -5.35381 TIMING: 1972400 CPU: 5947.58, 0.00303866/step Wall: 5947.58, 0.00303866/step, 2.55551 hours remaining, 208.394531 MB of memory in use. ENERGY: 1972400 752.2497 2076.8401 1949.9636 109.2012 -205986.4630 17591.1703 0.0000 0.0000 34285.7439 -149221.2943 299.4259 -183507.0382 -149111.7156 299.2406 -187.0069 -157.9357 557525.0815 -9.6244 -9.7697 PRESSURE: 1972600 -32.6679 -106.844 30.6841 -106.844 -84.3134 -48.6971 30.6844 -48.6972 -52.9236 GPRESSURE: 1972600 -16.4097 -145.424 -14.614 -22.4533 -9.40018 -167.362 37.4869 16.6555 -40.4226 PRESSAVG: 1972600 6.58145 -7.40217 -6.65446 -7.4022 -22.8876 -2.87232 -6.65446 -2.87227 -34.8623 GPRESSAVG: 1972600 6.08859 -10.1344 -6.12283 -5.43654 -22.341 -3.15573 -7.71076 -1.72596 -35.3528 TIMING: 1972600 CPU: 5948.18, 0.00299907/step Wall: 5948.18, 0.00299907/step, 2.52205 hours remaining, 208.597656 MB of memory in use. ENERGY: 1972600 730.4201 2054.8230 1928.2015 116.5282 -206004.4482 17629.8395 0.0000 0.0000 34226.3117 -149318.3243 298.9069 -183544.6360 -149213.5635 299.1200 -56.6350 -22.0775 558458.1651 -17.0562 -17.2017 PRESSURE: 1972800 -122.818 -4.77379 47.6774 -4.77332 -146.441 0.461157 47.6788 0.460541 -52.1634 GPRESSURE: 1972800 -55.1403 74.9976 -82.8679 -86.2181 -141.543 89.8283 114.233 -50.7668 -34.9387 PRESSAVG: 1972800 -52.2644 53.4615 15.9973 53.4615 67.2337 -3.19436 15.9973 -3.19425 -29.8627 GPRESSAVG: 1972800 -52.5176 52.2641 13.4167 53.6548 66.0652 -3.16126 19.0522 -3.37781 -28.863 TIMING: 1972800 CPU: 5948.78, 0.00301775/step Wall: 5948.78, 0.00301775/step, 2.53759 hours remaining, 208.597656 MB of memory in use. ENERGY: 1972800 744.8204 2096.6674 1946.0248 120.4552 -206157.2192 17533.3779 0.0000 0.0000 34343.4509 -149372.4227 299.9299 -183715.8736 -149280.6476 298.5097 -107.1407 -77.2073 556896.6189 -4.9645 -5.1051 PRESSURE: 1973000 136.316 17.2939 78.1873 17.2944 88.4857 13.0996 78.1872 13.1 137.262 GPRESSURE: 1973000 163.313 39.2996 74.4853 -48.0852 96.681 -18.8008 75.6693 7.05082 193.822 PRESSAVG: 1973000 18.3764 16.5747 5.37279 16.5747 -16.0958 -44.0283 5.37284 -44.0282 -10.1705 GPRESSAVG: 1973000 18.9881 18.1231 7.39241 15.4246 -15.7167 -43.3856 3.81522 -44.1276 -11.3879 TIMING: 1973000 CPU: 5949.38, 0.00299776/step Wall: 5949.38, 0.00299776/step, 2.52062 hours remaining, 208.597656 MB of memory in use. ENERGY: 1973000 712.4071 2117.4431 1929.8369 110.1095 -206212.4163 17832.3418 0.0000 0.0000 34051.9434 -149458.3345 297.3841 -183510.2780 -149362.8529 298.8123 120.6882 151.2720 556402.5363 -2.6300 -2.7055 PRESSURE: 1973200 -15.5833 -264.698 159.503 -264.698 -85.4108 70.1898 159.502 70.1908 52.0418 GPRESSURE: 1973200 -12.6294 -279.707 110.086 -234.324 -1.33628 46.4403 205.459 164.145 68.6688 PRESSAVG: 1973200 72.3933 -4.97253 -0.108459 -4.97249 -44.7616 -17.716 -0.108429 -17.716 9.71488 GPRESSAVG: 1973200 70.9814 -5.84071 0.527472 -2.26912 -44.9529 -18.9332 0.0726748 -17.6103 11.5773 TIMING: 1973200 CPU: 5949.97, 0.0029592/step Wall: 5949.97, 0.0029592/step, 2.48803 hours remaining, 208.597656 MB of memory in use. ENERGY: 1973200 743.8069 2080.9411 1948.8057 113.6049 -206482.8891 17897.6438 0.0000 0.0000 34436.9353 -149261.1515 300.7463 -183698.0867 -149164.0513 298.9201 -16.3174 18.2344 556929.7809 12.4489 12.5353 PRESSURE: 1973400 -25.0264 33.5893 76.7304 33.5883 -78.087 -49.5558 76.7303 -49.5565 23.1207 GPRESSURE: 1973400 -6.93439 29.9235 0.265931 -43.5817 -19.2557 7.98606 114.237 -84.8093 46.123 PRESSAVG: 1973400 68.1492 4.50726 -46.8366 4.50727 -45.4804 72.1439 -46.8365 72.1439 -2.46017 GPRESSAVG: 1973400 69.0719 6.45346 -47.4807 0.335377 -44.978 72.1957 -46.7741 71.5867 -3.05102 TIMING: 1973400 CPU: 5950.57, 0.00297607/step Wall: 5950.57, 0.00297607/step, 2.50205 hours remaining, 208.597656 MB of memory in use. ENERGY: 1973400 746.8179 2085.2094 1932.8373 111.2689 -206427.1467 17871.5201 0.0000 0.0000 34395.7999 -149283.6932 300.3871 -183679.4931 -149177.3467 299.3982 -26.6642 6.6443 556329.3564 6.7362 7.0143 PRESSURE: 1973600 157.436 -69.959 -82.6078 -69.9594 -7.08653 123.058 -82.6086 123.06 78.1653 GPRESSURE: 1973600 194.014 54.6413 -70.8174 -119.443 29.0954 162.937 -117.514 80.3687 98.1656 PRESSAVG: 1973600 65.3197 -30.1455 35.9369 -30.1455 -11.2101 13.6622 35.9369 13.6621 -54.8341 GPRESSAVG: 1973600 65.702 -30.444 33.3341 -30.3122 -12.3315 16.0618 35.5679 12.9178 -54.3306 TIMING: 1973600 CPU: 5951.17, 0.00298292/step Wall: 5951.17, 0.00298292/step, 2.50765 hours remaining, 208.597656 MB of memory in use. ENERGY: 1973600 718.8249 2095.3375 1917.3187 112.3495 -206304.2166 17865.0402 0.0000 0.0000 34336.2367 -149259.1090 299.8669 -183595.3457 -149155.4692 299.2622 76.1715 107.0916 557560.3898 -0.2415 -0.3200 PRESSURE: 1973800 -243.733 21.8539 -136.251 21.8545 -253.905 76.7165 -136.251 76.7173 -96.3647 GPRESSURE: 1973800 -162.728 -28.9499 -155.795 -14.3439 -195.538 196.319 -62.4286 -27.4175 -128.556 PRESSAVG: 1973800 11.6039 -36.9789 17.971 -36.9789 -9.58804 -12.3364 17.971 -12.3364 -22.6279 GPRESSAVG: 1973800 12.7376 -36.8758 19.2498 -35.9244 -9.76694 -14.8191 18.9071 -10.7374 -23.6609 TIMING: 1973800 CPU: 5951.77, 0.00300488/step Wall: 5951.77, 0.00300488/step, 2.52593 hours remaining, 208.597656 MB of memory in use. ENERGY: 1973800 778.1115 2061.2889 1893.6003 103.8280 -205540.7478 17552.3903 0.0000 0.0000 33917.2587 -149234.2701 296.2079 -183151.5288 -149140.5440 298.9773 -198.0008 -162.2743 559078.0029 -6.8707 -6.8967 PRESSURE: 1974000 -110.218 -48.6859 58.3008 -48.6862 25.491 -79.2035 58.301 -79.2023 -117.728 GPRESSURE: 1974000 -81.0861 20.1159 79.348 -62.0176 29.0974 -115.671 -28.6001 -72.7644 -62.0197 PRESSAVG: 1974000 52.1869 30.933 -10.5376 30.933 -53.5879 -4.51334 -10.5376 -4.51329 -14.7491 GPRESSAVG: 1974000 51.6787 31.2211 -7.74687 32.2284 -52.8221 -3.95866 -11.0669 -4.53446 -14.7552 TIMING: 1974000 CPU: 5952.37, 0.00300604/step Wall: 5952.37, 0.00300604/step, 2.52675 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: 1974000 735.7462 2123.3806 1924.7675 118.6648 -206244.2527 17828.8180 0.0000 0.0000 34296.7282 -149216.1474 299.5219 -183512.8757 -149116.2821 299.2929 -67.4851 -38.0028 558617.2544 -5.3834 -5.2995 PRESSURE: 1974200 -46.7434 6.25849 75.1489 6.2594 -82.3545 102.554 75.1477 102.553 -161.509 GPRESSURE: 1974200 -87.5134 53.2246 44.2727 -21.2202 -0.751125 139.042 163.128 148.205 -106.769 PRESSAVG: 1974200 -11.1488 15.9135 35.3034 15.9136 -0.628072 -24.6225 35.3034 -24.6224 16.6717 GPRESSAVG: 1974200 -11.4477 12.5163 34.2855 16.0784 -0.714306 -22.6525 33.9534 -25.6449 17.1324 TIMING: 1974200 CPU: 5952.97, 0.0030016/step Wall: 5952.97, 0.0030016/step, 2.52284 hours remaining, 208.597656 MB of memory in use. ENERGY: 1974200 796.4292 2116.4446 1948.6606 107.1996 -206313.6163 17804.3351 0.0000 0.0000 34272.8963 -149267.6510 299.3137 -183540.5473 -149171.9679 298.9446 -96.8690 -65.0111 558716.0174 1.6316 1.6568 PRESSURE: 1974400 -107.717 114.246 104.465 114.247 117.546 17.883 104.465 17.8842 103.944 GPRESSURE: 1974400 -76.6119 55.5226 50.2198 127.298 150.443 26.3785 90.4955 31.0066 145.498 PRESSAVG: 1974400 13.4263 28.9619 6.8288 28.9619 18.9805 -64.3509 6.82875 -64.3509 -51.8258 GPRESSAVG: 1974400 12.2944 32.9924 5.30042 29.5399 19.9039 -65.8138 7.90516 -63.448 -51.8194 TIMING: 1974400 CPU: 5953.57, 0.00299353/step Wall: 5953.57, 0.00299353/step, 2.5159 hours remaining, 208.597656 MB of memory in use. ENERGY: 1974400 766.4800 2146.7601 1941.0239 121.2589 -206301.1032 17907.6261 0.0000 0.0000 34236.7112 -149181.2430 298.9977 -183417.9542 -149086.7865 299.9344 37.9242 73.1099 557506.9748 -6.4730 -6.5404 PRESSURE: 1974600 -56.594 -166.6 -137.239 -166.599 138.954 -7.05322 -137.239 -7.05249 18.2424 GPRESSURE: 1974600 25.4636 -134.775 -171.88 -142.066 154.789 -61.0434 -125.74 -62.0232 20.0017 PRESSAVG: 1974600 -10.2667 1.59955 24.1632 1.5997 70.9174 -36.9339 24.1632 -36.9339 -44.0562 GPRESSAVG: 1974600 -9.87954 -0.121988 25.7508 2.58313 70.4809 -37.9088 22.9952 -36.9642 -44.0084 TIMING: 1974600 CPU: 5954.17, 0.00301316/step Wall: 5954.17, 0.00301316/step, 2.53223 hours remaining, 208.597656 MB of memory in use. ENERGY: 1974600 759.4763 2171.9879 1958.3947 111.7605 -206594.7051 18013.5315 0.0000 0.0000 34413.7563 -149165.7980 300.5439 -183579.5542 -149067.4501 300.2773 33.5340 66.7514 556466.6500 5.5315 5.5310 PRESSURE: 1974800 -23.1279 -186.271 -134.982 -186.272 35.6226 95.3495 -134.983 95.3506 -121.573 GPRESSURE: 1974800 16.2008 -113.778 -99.2064 -201.708 45.216 142.182 -88.3409 76.5267 -79.0269 PRESSAVG: 1974800 -15.2173 -64.5112 4.22929 -64.5112 58.0972 -9.47364 4.22924 -9.47358 -10.4502 GPRESSAVG: 1974800 -15.6675 -64.3349 2.94192 -65.9516 57.8525 -7.67117 4.24438 -10.7907 -10.0786 TIMING: 1974800 CPU: 5954.78, 0.00302832/step Wall: 5954.78, 0.00302832/step, 2.54479 hours remaining, 208.597656 MB of memory in use. ENERGY: 1974800 746.2258 2195.8685 1914.1700 104.0917 -206138.7733 17804.0982 0.0000 0.0000 34208.7720 -149165.5472 298.7537 -183374.3192 -149070.7349 299.5914 -36.3595 -5.8700 558603.5740 10.8099 10.7021 PRESSURE: 1975000 -180.401 -246.599 20.721 -246.599 124.151 -16.6209 20.7216 -16.6203 205.312 GPRESSURE: 1975000 -162.572 -265.661 22.3569 -150.148 118.997 51.4325 -10.329 -59.5643 289.769 PRESSAVG: 1975000 -19.2445 -56.0327 -21.0208 -56.0327 -40.0855 20.1093 -21.0209 20.1093 15.1074 GPRESSAVG: 1975000 -19.4892 -53.7363 -19.9392 -57.1768 -40.0216 18.2317 -21.16 19.9462 14.4801 TIMING: 1975000 CPU: 5955.37, 0.00298684/step Wall: 5955.37, 0.00298684/step, 2.50977 hours remaining, 208.597656 MB of memory in use. ENERGY: 1975000 769.1332 2166.4071 1927.0927 100.5017 -206453.6545 17936.7175 0.0000 0.0000 34385.2633 -149168.5391 300.2951 -183553.8023 -149071.4999 299.9731 49.6874 82.0649 558804.2288 -14.7409 -15.0103 PRESSURE: 1975200 -175.468 -51.7387 31.8115 -51.7379 -41.0836 151.781 31.8118 151.781 -151.651 GPRESSURE: 1975200 -127.641 -6.3421 72.9254 -170.137 6.92036 148.079 83.4226 191.777 -143.459 PRESSAVG: 1975200 -34.4899 -60.8877 -31.4717 -60.8876 -39.6301 25.7777 -31.4716 25.7777 68.2425 GPRESSAVG: 1975200 -35.0239 -62.0999 -32.4168 -62.0495 -40.459 26.7125 -30.8365 26.3542 69.5766 TIMING: 1975200 CPU: 5955.97, 0.00298515/step Wall: 5955.97, 0.00298515/step, 2.50819 hours remaining, 208.597656 MB of memory in use. ENERGY: 1975200 798.3213 2116.0190 1938.7597 126.5011 -206274.9590 17864.0057 0.0000 0.0000 34388.5399 -149042.8124 300.3237 -183431.3523 -148945.1823 300.5361 -122.7341 -88.0599 558626.7747 -1.9592 -1.9688 PRESSURE: 1975400 -165.251 21.256 12.3208 21.2554 -86.5785 -186.277 12.3208 -186.276 -139.292 GPRESSURE: 1975400 -96.7872 18.8129 80.0933 36.5978 -94.5082 -164.034 -38.548 -163.774 -119.49 PRESSAVG: 1975400 -87.9635 -37.2246 16.1775 -37.2246 62.8559 -26.5679 16.1776 -26.5678 2.5185 GPRESSAVG: 1975400 -88.0054 -36.8791 17.1484 -36.0382 62.8337 -27.4195 15.392 -25.7692 1.95101 TIMING: 1975400 CPU: 5956.57, 0.00297947/step Wall: 5956.57, 0.00297947/step, 2.50325 hours remaining, 208.597656 MB of memory in use. ENERGY: 1975400 760.8889 2113.1661 1893.3794 110.1137 -205769.2234 17591.9836 0.0000 0.0000 34299.4978 -149000.1939 299.5460 -183299.6917 -148902.5413 300.0514 -130.3739 -103.5950 558511.5042 -7.5297 -7.7402 PRESSURE: 1975600 0.35081 10.7123 -87.2714 10.7131 -230.564 54.5671 -87.2717 54.5666 -139.584 GPRESSURE: 1975600 19.8595 28.4173 -89.6129 -28.7559 -193.745 67.7947 -76.5183 45.8123 -100.793 PRESSAVG: 1975600 -30.9884 -4.46993 36.3575 -4.46988 29.1507 -9.10342 36.3575 -9.10336 -20.069 GPRESSAVG: 1975600 -29.3873 -4.28614 34.5043 -3.42753 28.8059 -9.35853 36.6425 -10.3449 -21.3643 TIMING: 1975600 CPU: 5957.16, 0.00297201/step Wall: 5957.16, 0.00297201/step, 2.49682 hours remaining, 208.597656 MB of memory in use. ENERGY: 1975600 730.6374 2033.2308 1952.1515 112.6296 -205935.8274 17749.7177 0.0000 0.0000 34263.3451 -149094.1153 299.2303 -183357.4603 -149000.9674 300.1257 -123.2657 -91.5595 559081.5960 -7.3023 -7.3153 PRESSURE: 1975800 73.0599 46.0276 21.6152 46.0288 -54.6495 164.677 21.6147 164.676 -296.207 GPRESSURE: 1975800 83.5889 117.399 80.7873 30.7878 36.0855 104.277 -71.7508 201.521 -271.259 PRESSAVG: 1975800 -4.42591 34.7389 -40.3025 34.739 43.3583 48.4966 -40.3026 48.4967 -8.03882 GPRESSAVG: 1975800 -5.11174 34.5342 -38.5959 33.5648 42.8793 48.1464 -39.0869 49.3468 -6.86744 TIMING: 1975800 CPU: 5957.76, 0.00299523/step Wall: 5957.76, 0.00299523/step, 2.51616 hours remaining, 208.597656 MB of memory in use. ENERGY: 1975800 734.5874 2078.8314 1943.6844 112.6837 -205886.8761 17728.6292 0.0000 0.0000 34289.9375 -148998.5224 299.4626 -183288.4599 -148897.4195 299.6867 -92.5988 -50.5281 558843.2827 10.2979 10.3000 PRESSURE: 1976000 -45.4846 205.984 -85.2032 205.984 -208.298 93.9363 -85.2036 93.9368 243.889 GPRESSURE: 1976000 -8.03805 163.314 -1.9099 117.609 -150.103 112.182 -112.284 43.9656 235.956 PRESSAVG: 1976000 -18.2995 34.9521 20.6725 34.952 -19.3441 -17.4581 20.6725 -17.4582 62.0289 GPRESSAVG: 1976000 -18.493 33.8549 22.1332 36.2255 -18.0013 -16.9776 19.9623 -17.2883 60.8702 TIMING: 1976000 CPU: 5958.36, 0.00299897/step Wall: 5958.36, 0.00299897/step, 2.51913 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: 1976000 758.9649 2134.4080 1930.0570 99.9320 -206238.2699 17899.2807 0.0000 0.0000 34336.0979 -149079.5295 299.8657 -183415.6274 -148975.6639 299.8875 -3.2978 25.9383 559792.8989 8.1284 8.1253 PRESSURE: 1976200 221.956 5.23302 -28.7367 5.2322 -23.7569 90.429 -28.7369 90.4287 -55.5282 GPRESSURE: 1976200 225.617 -103.455 -3.19932 51.4972 19.2323 110.297 52.9635 120.126 -4.80836 PRESSAVG: 1976200 21.3805 -15.394 -0.0823861 -15.394 -23.6729 50.6365 -0.082463 50.6363 32.359 GPRESSAVG: 1976200 21.8857 -14.6956 -2.83194 -15.0995 -25.0285 52.9463 0.285593 50.1158 32.985 TIMING: 1976200 CPU: 5958.96, 0.00300245/step Wall: 5958.96, 0.00300245/step, 2.52189 hours remaining, 208.597656 MB of memory in use. ENERGY: 1976200 711.5077 2053.0246 1922.3247 101.4298 -206330.1584 18010.2125 0.0000 0.0000 34484.6875 -149046.9717 301.1634 -183531.6592 -148944.8614 300.3199 47.5570 80.0136 558109.3858 10.0222 9.9474 LDB: ============= START OF LOAD BALANCING ============== 5962.48 LDB: ============== END OF LOAD BALANCING =============== 5962.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5962.48 LDB: ============= START OF LOAD BALANCING ============== 5962.78 LDB: Largest compute 4801 load 0.031496 is 26.7% of average load 0.118048 LDB: Average compute 0.001722 is 1.5% of average load 0.118048 LDB: TIME 5962.78 LOAD: AVG 0.118048 MAX 0.207807 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.047 MB LDB: TIME 5962.78 LOAD: AVG 0.118048 MAX 0.207807 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.25 MB LDB: TIME 5962.78 LOAD: AVG 0.118048 MAX 0.207807 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.25 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5962.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5962.79 PRESSURE: 1976400 -7.86139 40.9861 -130.422 40.9859 -162.906 -98.7237 -130.423 -98.7225 -28.276 GPRESSURE: 1976400 25.7808 108.972 -118.222 15.2485 -131.558 -177.746 -147.999 -167.643 8.62997 PRESSAVG: 1976400 53.5829 -6.36925 -41.0126 -6.36929 -36.3538 47.029 -41.0126 47.029 2.8415 GPRESSAVG: 1976400 53.1667 -7.67414 -39.6409 -7.43651 -36.1764 46.2043 -40.7419 46.9201 3.2166 TIMING: 1976400 CPU: 5959.57, 0.00305177/step Wall: 5959.57, 0.00305177/step, 2.56314 hours remaining, 208.335938 MB of memory in use. ENERGY: 1976400 750.5550 2108.9767 1936.5269 100.4245 -205907.8923 17562.6773 0.0000 0.0000 34407.5946 -149041.1372 300.4901 -183448.7318 -148938.9069 299.9371 -66.3476 -32.3824 557958.7779 6.6902 6.7357 PRESSURE: 1976600 -193.779 106.423 -29.2079 106.423 -192.798 -117.281 -29.2076 -117.28 95.3706 GPRESSURE: 1976600 -142.195 162.062 -1.92789 66.9681 -130.033 -97.3377 -92.8563 -110.671 81.3612 PRESSAVG: 1976600 -49.0131 -43.1602 -30.0492 -43.1602 -19.4073 0.945949 -30.0492 0.945955 38.5904 GPRESSAVG: 1976600 -48.4389 -41.3896 -30.9259 -46.1829 -19.5651 1.14865 -29.7018 1.8917 37.9288 TIMING: 1976600 CPU: 5960.16, 0.00297629/step Wall: 5960.16, 0.00297629/step, 2.49958 hours remaining, 208.406250 MB of memory in use. ENERGY: 1976600 757.9738 2049.9535 1932.4571 111.8888 -206133.2251 17766.2762 0.0000 0.0000 34427.4001 -149087.2755 300.6630 -183514.6757 -148993.1004 299.8872 -97.0687 -63.6221 559314.6555 -9.9433 -10.0251 PRESSURE: 1976800 43.7929 -307.381 20.9286 -307.38 -153.975 99.8465 20.9296 99.8462 -9.41225 GPRESSURE: 1976800 84.6107 -268.157 11.7769 -321.045 -153.629 122.347 23.494 24.5919 69.6001 PRESSAVG: 1976800 -9.72038 -21.7796 28.5973 -21.7796 18.6156 -25.4472 28.5973 -25.4471 -26.0558 GPRESSAVG: 1976800 -10.7053 -22.6005 29.212 -19.486 19.6917 -27.3135 28.5681 -25.0111 -25.9688 TIMING: 1976800 CPU: 5960.76, 0.00296898/step Wall: 5960.76, 0.00296898/step, 2.49328 hours remaining, 208.406250 MB of memory in use. ENERGY: 1976800 758.6411 2107.7017 1931.7122 118.8993 -206145.2081 17829.7592 0.0000 0.0000 34267.1163 -149131.3783 299.2632 -183398.4946 -149037.1724 299.8484 -39.8648 0.1938 558936.5427 -5.7202 -5.6608 PRESSURE: 1977000 -162.874 172.608 -25.7641 172.608 -216.657 -41.5846 -25.7655 -41.5835 -164.339 GPRESSURE: 1977000 -165.71 165.399 -126.964 134.094 -177.999 -31.3588 57.8997 -8.2461 -93.5703 PRESSAVG: 1977000 6.80932 -25.8246 10.7562 -25.8246 -25.8892 22.2779 10.7562 22.278 48.7444 GPRESSAVG: 1977000 6.95062 -24.6718 11.0347 -26.2616 -26.5272 24.4545 10.6073 22.4094 49.3831 TIMING: 1977000 CPU: 5961.35, 0.0029689/step Wall: 5961.35, 0.0029689/step, 2.49305 hours remaining, 208.406250 MB of memory in use. ENERGY: 1977000 753.8525 2125.0898 1923.6326 104.4761 -205860.2156 17449.9400 0.0000 0.0000 34492.0070 -149011.2175 301.2273 -183503.2246 -148904.4281 299.6901 -181.2899 -145.7597 558436.4709 9.8882 9.9355 PRESSURE: 1977200 81.0533 164.285 -173.516 164.284 69.9012 -38.0019 -173.515 -38.0039 -39.2134 GPRESSURE: 1977200 100.731 177.77 -190.904 62.9146 173.36 -52.9318 -199.602 40.4936 -59.5107 PRESSAVG: 1977200 25.2899 50.6777 -58.2943 50.6777 39.7678 -10.7041 -58.2944 -10.7043 -35.4322 GPRESSAVG: 1977200 27.1552 50.6906 -57.1536 49.3814 38.9905 -11.6984 -57.3518 -9.61741 -36.8494 TIMING: 1977200 CPU: 5961.95, 0.00298312/step Wall: 5961.95, 0.00298312/step, 2.50482 hours remaining, 208.406250 MB of memory in use. ENERGY: 1977200 742.2780 2097.7545 1895.1641 108.2888 -206158.3351 17837.0670 0.0000 0.0000 34334.0125 -149143.7702 299.8475 -183477.7827 -149050.0189 300.0746 37.2470 71.5268 557318.9271 9.8751 9.7654 PRESSURE: 1977400 296.001 -64.7051 65.3411 -64.7051 226.093 -42.7546 65.3408 -42.7546 133.914 GPRESSURE: 1977400 301.119 -60.6747 -70.6114 -82.7806 263.958 -74.0522 157.569 -47.5516 186.045 PRESSAVG: 1977400 -52.936 30.0966 -49.1184 30.0966 -11.3487 31.6184 -49.1184 31.6185 69.8143 GPRESSAVG: 1977400 -53.5386 30.7824 -49.7165 30.2184 -11.7755 32.7257 -48.8922 28.3565 70.8309 TIMING: 1977400 CPU: 5962.54, 0.00297921/step Wall: 5962.54, 0.00297921/step, 2.50137 hours remaining, 208.406250 MB of memory in use. ENERGY: 1977400 708.4837 2116.7647 1931.1169 110.1318 -206496.9755 18113.5543 0.0000 0.0000 34303.7416 -149213.1825 299.5831 -183516.9241 -149124.1001 299.4348 218.6695 250.3740 556851.5374 1.8432 1.8389 PRESSURE: 1977600 17.1772 7.46526 57.096 7.46292 -71.2147 70.0264 57.0969 70.0252 -39.7952 GPRESSURE: 1977600 55.0801 34.5383 -60.5619 -14.6715 -163.24 73.5527 45.9815 67.5539 105.903 PRESSAVG: 1977600 -1.8327 72.3276 14.0843 72.3276 -11.481 -22.985 14.0844 -22.9849 83.0419 GPRESSAVG: 1977600 -2.7515 69.582 14.1294 75.2954 -11.0203 -23.9885 12.6526 -21.6662 83.7952 TIMING: 1977600 CPU: 5963.14, 0.00300043/step Wall: 5963.14, 0.00300043/step, 2.51903 hours remaining, 208.406250 MB of memory in use. ENERGY: 1977600 740.1498 2154.3955 1922.0476 105.3816 -206321.4632 17666.0531 0.0000 0.0000 34441.8003 -149291.6352 300.7888 -183733.4355 -149200.3988 300.0247 -31.2776 -0.7525 555410.6076 23.2427 23.3411 PRESSURE: 1977800 24.8953 -55.2215 -54.563 -55.2237 -122.63 7.18701 -54.5636 7.18686 30.9326 GPRESSURE: 1977800 58.3562 -43.5653 -139.653 12.3999 -123.821 -17.3439 -58.2116 6.31209 97.8177 PRESSAVG: 1977800 -0.101948 37.0062 -41.5956 37.0061 -24.9207 -36.9453 -41.5956 -36.9454 28.6252 GPRESSAVG: 1977800 0.342939 39.028 -43.3537 35.0539 -24.4011 -36.991 -41.0229 -36.1189 28.11 TIMING: 1977800 CPU: 5963.75, 0.00300623/step Wall: 5963.75, 0.00300623/step, 2.52373 hours remaining, 208.406250 MB of memory in use. ENERGY: 1977800 723.8858 2102.8038 1938.2744 137.3030 -206360.0372 17797.9411 0.0000 0.0000 34483.2884 -149176.5407 301.1511 -183659.8291 -149074.8869 299.5401 -22.2675 10.7843 557554.8203 1.2008 1.3506 PRESSURE: 1978000 -111.609 61.4341 81.5807 61.4356 -124.486 -88.8129 81.5815 -88.815 -4.52767 GPRESSURE: 1978000 -117.107 69.6898 127.044 64.0992 -72.9152 -58.8634 52.665 -133.812 40.367 PRESSAVG: 1978000 -47.1399 -50.5188 -13.8261 -50.5188 -1.26086 43.7849 -13.8262 43.7849 39.3313 GPRESSAVG: 1978000 -47.3393 -51.6799 -12.2731 -49.7492 -1.59106 43.736 -15.2076 45.1294 40.3236 TIMING: 1978000 CPU: 5964.35, 0.0030214/step Wall: 5964.35, 0.0030214/step, 2.5363 hours remaining, 208.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1978000 716.5100 2124.0920 1907.1295 105.5317 -205788.2426 17519.0514 0.0000 0.0000 34319.9188 -149096.0092 299.7244 -183415.9280 -148994.0516 299.4053 -80.2074 -49.8849 558121.6710 -3.0231 -2.8689 PRESSURE: 1978200 -103.825 -132.296 8.6819 -132.296 -214.291 58.773 8.68156 58.7732 -16.7935 GPRESSURE: 1978200 -56.5072 -112.403 -80.0844 -122.489 -149.603 134.099 27.9319 20.4012 -24.4539 PRESSAVG: 1978200 -17.0935 30.6475 -8.94872 30.6474 -16.6999 47.77 -8.94869 47.77 53.6315 GPRESSAVG: 1978200 -15.5743 31.9031 -9.27341 29.3226 -16.8202 47.0483 -7.01801 46.6953 52.1969 TIMING: 1978200 CPU: 5964.95, 0.0030051/step Wall: 5964.95, 0.0030051/step, 2.52245 hours remaining, 208.406250 MB of memory in use. ENERGY: 1978200 773.0257 2121.7852 1954.0515 112.2133 -205982.6967 17603.1118 0.0000 0.0000 34394.5546 -149023.9545 300.3762 -183418.5091 -148929.4736 299.8700 -111.6365 -76.8547 556803.4195 6.6127 6.6008 PRESSURE: 1978400 -60.3139 -37.6683 -102.885 -37.6681 -10.1193 244.786 -102.886 244.787 -198.984 GPRESSURE: 1978400 -55.8432 -45.7457 -123.965 -68.215 -14.108 344.98 -50.6703 166.053 -97.7899 PRESSAVG: 1978400 -3.12451 -23.7482 -24.2452 -23.7483 20.1397 25.8936 -24.2452 25.8936 -49.2605 GPRESSAVG: 1978400 -3.64583 -24.4366 -23.8079 -24.7406 20.7126 27.2803 -24.6166 27.8295 -48.7865 TIMING: 1978400 CPU: 5965.55, 0.00298037/step Wall: 5965.55, 0.00298037/step, 2.50153 hours remaining, 208.406250 MB of memory in use. ENERGY: 1978400 775.8122 2082.9595 1923.8385 117.1167 -205694.3493 17687.5059 0.0000 0.0000 34327.6759 -148779.4406 299.7921 -183107.1165 -148682.5809 300.1642 -89.8056 -55.9137 558342.4555 -10.7484 -10.5732 PRESSURE: 1978600 143.414 -55.5822 48.6806 -55.5814 -632.589 -225.062 48.6815 -225.061 59.5617 GPRESSURE: 1978600 115.959 -65.7683 60.7297 -106.79 -523.575 -315.662 -69.658 -162 82.3858 PRESSAVG: 1978600 65.2446 -29.6291 2.54046 -29.6292 -18.1231 64.067 2.54053 64.0669 -27.2641 GPRESSAVG: 1978600 64.2379 -31.565 0.872256 -27.4757 -18.1056 63.9217 2.33603 64.1339 -26.8378 TIMING: 1978600 CPU: 5966.14, 0.0029744/step Wall: 5966.14, 0.0029744/step, 2.49635 hours remaining, 208.406250 MB of memory in use. ENERGY: 1978600 764.7475 2077.6910 1913.0571 109.3723 -205992.0741 17624.1363 0.0000 0.0000 34542.3375 -148960.7323 301.6668 -183503.0699 -148863.6511 301.1372 -143.2044 -108.4101 557118.3804 6.6191 6.4315 PRESSURE: 1978800 -94.8717 -89.1322 -94.2445 -89.1323 -89.3137 124.254 -94.2424 124.253 -84.0964 GPRESSURE: 1978800 -15.9996 -35.4464 -76.5276 -65.6111 -53.9013 55.5341 -44.3051 107.71 -85.1201 PRESSAVG: 1978800 45.1158 -14.0129 -17.7661 -14.013 -17.7247 -31.4938 -17.7661 -31.4937 -33.0476 GPRESSAVG: 1978800 45.5714 -12.0078 -15.7796 -15.1096 -19.0627 -30.5039 -16.8105 -34.3037 -31.9871 TIMING: 1978800 CPU: 5966.74, 0.00298032/step Wall: 5966.74, 0.00298032/step, 2.50115 hours remaining, 208.406250 MB of memory in use. ENERGY: 1978800 755.3441 2082.4795 1934.6697 117.6671 -206018.0329 17750.9997 0.0000 0.0000 34485.7564 -148891.1164 301.1727 -183376.8728 -148791.6228 300.5299 -89.4273 -51.6737 557804.3107 -1.8855 -1.8261 PRESSURE: 1979000 194.74 29.8282 -97.5525 29.8284 -126.893 27.3361 -97.5521 27.3354 21.7458 GPRESSURE: 1979000 208.623 26.9754 11.6923 37.3362 -118.343 -44.9719 -95.9254 11.5722 96.0849 PRESSAVG: 1979000 76.2113 8.28468 -2.25297 8.28458 -38.6549 37.7482 -2.25299 37.748 10.2745 GPRESSAVG: 1979000 74.5127 7.76849 -2.68147 10.9716 -35.9703 36.0556 -2.53998 39.817 9.23581 TIMING: 1979000 CPU: 5967.34, 0.0030018/step Wall: 5967.34, 0.0030018/step, 2.51901 hours remaining, 208.406250 MB of memory in use. ENERGY: 1979000 772.9158 2140.0704 1925.8399 107.6549 -206292.0039 17947.2452 0.0000 0.0000 34315.7639 -149082.5139 299.6881 -183398.2778 -148984.7871 300.4615 29.8644 62.1216 557255.8859 15.9436 15.9261 PRESSURE: 1979200 -90.5294 -14.5947 -30.7755 -14.5952 -5.23137 -107.597 -30.7761 -107.599 188.901 GPRESSURE: 1979200 -92.6235 -72.083 -73.744 -52.6737 78.3288 -53.082 9.31017 -69.1902 201.131 PRESSAVG: 1979200 23.4463 35.3154 -8.53636 35.3155 -26.5867 25.5785 -8.53633 25.5785 -39.1751 GPRESSAVG: 1979200 24.2909 35.6454 -8.40924 33.0837 -28.0422 24.8012 -7.05313 26.2575 -39.0164 TIMING: 1979200 CPU: 5967.94, 0.00301639/step Wall: 5967.94, 0.00301639/step, 2.53109 hours remaining, 208.406250 MB of memory in use. ENERGY: 1979200 749.3466 2069.9852 1920.8147 105.3792 -206187.4750 17855.0196 0.0000 0.0000 34194.4754 -149292.4541 298.6289 -183486.9296 -149197.0788 298.9670 31.0468 62.2789 558640.7231 -14.1052 -14.2559 PRESSURE: 1979400 132.822 -157.343 -87.9591 -157.343 -98.5555 -18.7625 -87.9596 -18.7615 211.239 GPRESSURE: 1979400 136.733 -212.993 -140.308 -73.9367 -34.3641 -75.8318 -43.3954 -7.97919 233.853 PRESSAVG: 1979400 34.0888 -8.813 2.09832 -8.81296 -1.08883 13.2585 2.09829 13.2585 1.84773 GPRESSAVG: 1979400 34.9838 -10.7922 1.03316 -7.50835 -2.04237 13.8737 0.338116 12.4744 1.65027 TIMING: 1979400 CPU: 5968.54, 0.00300077/step Wall: 5968.54, 0.00300077/step, 2.51781 hours remaining, 208.406250 MB of memory in use. ENERGY: 1979400 737.9063 2101.1347 1928.5740 115.2791 -206663.6465 18053.9162 0.0000 0.0000 34352.3609 -149374.4753 300.0077 -183726.8362 -149277.2261 299.5217 81.8352 112.0738 557444.9343 11.6159 11.5306 PRESSURE: 1979600 -8.43553 59.4047 133.94 59.4058 120.935 45.6674 133.94 45.6669 -316.125 GPRESSURE: 1979600 12.3786 -28.1804 164.189 64.834 186.159 66.3209 114.143 6.91346 -286.284 PRESSAVG: 1979600 35.3641 41.9528 6.75596 41.9529 21.0178 -12.361 6.756 -12.361 -49.0737 GPRESSAVG: 1979600 34.576 42.2542 8.08767 40.3473 21.7806 -11.2907 6.87747 -13.6225 -49.2768 TIMING: 1979600 CPU: 5969.14, 0.00300935/step Wall: 5969.14, 0.00300935/step, 2.52484 hours remaining, 208.406250 MB of memory in use. ENERGY: 1979600 761.3221 2118.7095 1906.2777 121.8984 -206260.7105 17649.9564 0.0000 0.0000 34133.5892 -149568.9572 298.0971 -183702.5465 -149469.0075 298.9603 -67.8751 -29.2488 557053.7753 2.4361 2.3599 PRESSURE: 1979800 76.2878 -94.3894 -21.0283 -94.3891 145.423 133.483 -21.0289 133.484 -272.951 GPRESSURE: 1979800 93.8511 -141.6 -14.8932 -157.331 144.556 131.921 23.6406 92.9056 -183.307 PRESSAVG: 1979800 0.872994 -3.80767 -67.7529 -3.80765 -8.71945 -22.355 -67.753 -22.355 -8.55417 GPRESSAVG: 1979800 2.24676 -3.40224 -67.9941 -2.71282 -10.2528 -20.5865 -67.0031 -22.5144 -7.91877 TIMING: 1979800 CPU: 5969.74, 0.00299809/step Wall: 5969.74, 0.00299809/step, 2.51523 hours remaining, 208.406250 MB of memory in use. ENERGY: 1979800 743.5417 2114.0665 1915.9820 123.0085 -206150.1423 17700.9011 0.0000 0.0000 33986.1507 -149566.4918 296.8095 -183552.6425 -149467.9773 298.7090 -17.0801 18.3668 557011.2414 -5.4669 -5.3083 PRESSURE: 1980000 0.576885 -0.465808 93.1268 -0.466423 152.645 65.4522 93.1257 65.4515 264.06 GPRESSURE: 1980000 25.1648 0.419808 33.6552 -63.703 189.23 -2.54537 160.279 68.5069 305.87 PRESSAVG: 1980000 34.6371 -2.85378 39.7496 -2.85374 -4.71291 -8.0489 39.7496 -8.04883 -18.2127 GPRESSAVG: 1980000 33.3277 -2.84821 40.2064 -4.23988 -2.53397 -8.01796 39.1804 -7.49351 -18.9604 TIMING: 1980000 CPU: 5970.34, 0.00299792/step Wall: 5970.34, 0.00299792/step, 2.51492 hours remaining, 208.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1980000 744.5577 2108.3334 1912.2910 126.9869 -206643.1506 18152.8281 0.0000 0.0000 34152.5128 -149445.6407 298.2624 -183598.1535 -149354.0794 298.3997 139.0938 173.4216 557131.4344 3.9038 3.9445 PRESSURE: 1980200 105.915 90.105 24.6246 90.105 120.912 -2.25545 24.6234 -2.25443 29.2512 GPRESSURE: 1980200 149.702 92.902 42.5158 128.106 148.562 -80.301 41.6462 4.39387 59.0057 PRESSAVG: 1980200 43.8671 37.2059 16.8128 37.2059 -16.6001 45.7792 16.8128 45.7793 6.41354 GPRESSAVG: 1980200 45.0236 37.8699 16.4552 36.764 -18.7413 47.3414 16.2555 44.3103 6.75757 TIMING: 1980200 CPU: 5970.94, 0.00300832/step Wall: 5970.94, 0.00300832/step, 2.52348 hours remaining, 208.406250 MB of memory in use. ENERGY: 1980200 723.3903 2155.1036 1946.9552 114.8048 -206553.7146 17920.4889 0.0000 0.0000 34411.0838 -149281.8880 300.5206 -183692.9718 -149189.3771 298.6261 85.3591 119.0899 556921.9601 11.2268 11.0133 LDB: ============= START OF LOAD BALANCING ============== 5974.46 LDB: ============== END OF LOAD BALANCING =============== 5974.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5974.46 LDB: ============= START OF LOAD BALANCING ============== 5974.76 LDB: Largest compute 4800 load 0.030989 is 26.3% of average load 0.118040 LDB: Average compute 0.001721 is 1.5% of average load 0.118040 LDB: TIME 5974.76 LOAD: AVG 0.11804 MAX 0.207285 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.273 MB LDB: TIME 5974.77 LOAD: AVG 0.11804 MAX 0.207285 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.379 MB LDB: TIME 5974.77 LOAD: AVG 0.11804 MAX 0.207285 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.379 MB LDB: ============== END OF LOAD BALANCING =============== 5974.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5974.77 PRESSURE: 1980400 -42.4703 -46.9715 -56.4132 -46.9718 -0.883604 -22.3917 -56.4135 -22.393 144.353 GPRESSURE: 1980400 21.394 -67.3018 -12.8644 -4.92776 73.3998 -66.9262 -121.09 -74.7102 96.0953 PRESSAVG: 1980400 -22.8233 21.6784 -13.1273 21.6784 -18.0609 -4.0863 -13.1272 -4.08632 45.1528 GPRESSAVG: 1980400 -22.8019 20.4551 -12.7938 22.3694 -18.0392 -7.68063 -13.0573 -4.36168 44.646 TIMING: 1980400 CPU: 5971.55, 0.003049/step Wall: 5971.55, 0.003049/step, 2.55743 hours remaining, 208.843750 MB of memory in use. ENERGY: 1980400 766.7036 2113.1629 1963.2100 104.0482 -206562.4555 18040.9053 0.0000 0.0000 34232.4587 -149341.9669 298.9606 -183574.4256 -149242.5520 298.7482 33.6665 63.6297 557785.8926 1.4229 1.2683 PRESSURE: 1980600 -113.375 -176.179 -107.904 -176.178 -76.0622 -40.3771 -107.904 -40.3759 -44.9082 GPRESSURE: 1980600 -73.0906 -243.747 -42.1004 -135.257 -39.6484 -42.4299 -152.537 9.05975 -24.4982 PRESSAVG: 1980600 34.6591 -38.7251 -27.5036 -38.7252 -10.0697 9.69499 -27.5036 9.69488 -35.9814 GPRESSAVG: 1980600 34.4888 -37.8675 -29.6209 -38.4507 -10.2289 11.6677 -26.3615 11.1999 -35.4505 TIMING: 1980600 CPU: 5972.15, 0.00296215/step Wall: 5972.15, 0.00296215/step, 2.48442 hours remaining, 209.105469 MB of memory in use. ENERGY: 1980600 769.4953 2101.2058 1913.7327 106.9500 -206122.3864 17775.1565 0.0000 0.0000 34186.5877 -149269.2583 298.5600 -183455.8460 -149175.2878 299.2619 -78.1150 -45.7457 558386.3125 -3.7973 -3.7302 PRESSURE: 1980800 -83.9885 78.2918 62.7885 78.2903 -420.177 -38.6545 62.7876 -38.6527 -102.77 GPRESSURE: 1980800 -38.7352 86.4677 37.6227 76.8458 -382.134 -111.404 59.1463 -52.4614 -103.412 PRESSAVG: 1980800 -11.9448 -7.56536 -41.1411 -7.56532 -36.5915 -64.9343 -41.1411 -64.9344 38.727 GPRESSAVG: 1980800 -12.4878 -6.24897 -39.3215 -9.24244 -35.4402 -66.4273 -42.7487 -63.7966 38.545 TIMING: 1980800 CPU: 5972.74, 0.00296212/step Wall: 5972.74, 0.00296212/step, 2.48423 hours remaining, 209.105469 MB of memory in use. ENERGY: 1980800 761.2506 2091.7350 1922.0406 110.0413 -206082.2498 17525.5842 0.0000 0.0000 34235.3102 -149436.2879 298.9855 -183671.5981 -149334.6749 299.4638 -202.3121 -174.7604 557883.1249 -3.2698 -3.1277 PRESSURE: 1981000 104.059 87.0482 15.8567 87.0481 12.1146 -64.488 15.8562 -64.4882 82.6722 GPRESSURE: 1981000 141.007 26.352 15.0233 103.075 -65.0268 -111.504 43.3924 -0.671613 214.139 PRESSAVG: 1981000 -13.7581 -29.0166 -50.9369 -29.0165 -48.3133 -3.5085 -50.937 -3.50858 45.4867 GPRESSAVG: 1981000 -12.5782 -30.5013 -51.3638 -28.0721 -48.8732 -2.91801 -49.5394 -3.49554 44.8759 TIMING: 1981000 CPU: 5973.34, 0.00298555/step Wall: 5973.34, 0.00298555/step, 2.50371 hours remaining, 209.105469 MB of memory in use. ENERGY: 1981000 757.2635 2131.5649 1905.1025 100.7828 -206852.0179 18067.3354 0.0000 0.0000 34411.5716 -149478.3971 300.5248 -183889.9687 -149377.8647 298.4701 66.2819 96.7062 556730.9237 -5.5282 -5.5252 PRESSURE: 1981200 205.075 -24.5706 24.7623 -24.5709 57.4261 109.654 24.7625 109.655 -125.773 GPRESSURE: 1981200 270.184 -56.7121 -49.8804 -43.0102 83.7699 115.454 -17.8853 46.7124 -130.852 PRESSAVG: 1981200 69.8593 10.8654 -26.6099 10.8654 -8.33873 23.5981 -26.6099 23.5982 -36.9221 GPRESSAVG: 1981200 69.3514 11.687 -27.2041 11.3678 -7.68538 22.8667 -27.8482 22.8114 -37.2947 TIMING: 1981200 CPU: 5973.93, 0.00297479/step Wall: 5973.93, 0.00297479/step, 2.49453 hours remaining, 209.105469 MB of memory in use. ENERGY: 1981200 737.7910 2112.7170 1918.5950 111.8775 -206567.9090 17845.5171 0.0000 0.0000 34233.1618 -149608.2496 298.9667 -183841.4113 -149512.0370 298.8525 45.5758 74.3672 554722.0703 8.1995 8.1238 PRESSURE: 1981400 -147.203 194.462 -157.961 194.462 107.395 -11.6319 -157.961 -11.6334 -282.095 GPRESSURE: 1981400 -147.603 174.159 -77.2977 160.683 141.879 -26.4204 -189.753 73.3696 -217.868 PRESSAVG: 1981400 -19.513 26.5795 3.44497 26.5795 67.9541 -13.5727 3.44494 -13.5726 -29.0757 GPRESSAVG: 1981400 -20.7256 27.2314 2.14096 25.0276 68.0487 -14.6534 5.16799 -13.078 -27.9937 TIMING: 1981400 CPU: 5974.53, 0.00297115/step Wall: 5974.53, 0.00297115/step, 2.49131 hours remaining, 209.105469 MB of memory in use. ENERGY: 1981400 778.0909 2133.0504 1913.3800 112.5361 -206311.0233 17691.8586 0.0000 0.0000 34155.2495 -149526.8578 298.2863 -183682.1073 -149438.7926 298.0797 -107.3008 -74.5306 555763.3588 6.4551 6.4431 PRESSURE: 1981600 143.996 -75.8358 30.1873 -75.8357 -142.521 -23.5759 30.1871 -23.5765 -242.957 GPRESSURE: 1981600 187.637 -60.6166 44.1567 -71.4167 -107.987 -96.7668 -24.8157 80.0695 -225.525 PRESSAVG: 1981600 31.3241 16.2262 -24.1896 16.2263 -54.8345 4.63124 -24.1896 4.63121 -0.0530436 GPRESSAVG: 1981600 33.6018 17.0746 -21.8566 16.357 -56.124 5.044 -25.4109 4.79559 -0.0777714 TIMING: 1981600 CPU: 5975.12, 0.00297153/step Wall: 5975.12, 0.00297153/step, 2.49146 hours remaining, 209.105469 MB of memory in use. ENERGY: 1981600 748.1265 2101.5236 1904.6641 116.0547 -206266.2169 17700.1956 0.0000 0.0000 34200.8755 -149494.7769 298.6848 -183695.6525 -149397.4605 298.5241 -80.4939 -48.6252 556279.1908 -7.8545 -7.5333 PRESSURE: 1981800 -57.2889 -39.5032 90.6456 -39.5029 47.4287 66.2843 90.6451 66.2844 -133.78 GPRESSURE: 1981800 -62.2873 -31.9505 169.435 4.99685 79.9121 95.9101 140.112 54.2256 -65.2028 PRESSAVG: 1981800 7.39606 -17.7649 -16.7026 -17.7647 49.5942 -21.9069 -16.7026 -21.907 6.66359 GPRESSAVG: 1981800 7.60065 -22.4773 -18.3053 -15.571 50.0045 -21.3623 -15.6151 -21.7023 6.62089 TIMING: 1981800 CPU: 5975.72, 0.00298779/step Wall: 5975.72, 0.00298779/step, 2.50493 hours remaining, 209.105469 MB of memory in use. ENERGY: 1981800 706.1379 2086.6633 1943.5466 116.9494 -206281.4177 17683.3913 0.0000 0.0000 34047.4778 -149697.2514 297.3451 -183744.7292 -149597.7210 298.1041 -47.8799 -15.8593 554672.2843 21.2180 21.4087 PRESSURE: 1982000 -11.6777 47.6856 -111.452 47.6857 -77.1011 83.5829 -111.45 83.5828 -43.1749 GPRESSURE: 1982000 -1.03483 -48.6009 -169.643 107.871 -25.5009 144.577 -162.119 69.9287 -6.46997 PRESSAVG: 1982000 -16.5969 -0.570864 15.7066 -0.57086 -29.4688 36.7912 15.7065 36.7912 26.6932 GPRESSAVG: 1982000 -16.9637 1.10096 16.6434 -0.682789 -28.3759 36.1011 15.6871 36.0349 25.4231 TIMING: 1982000 CPU: 5976.31, 0.0029821/step Wall: 5976.31, 0.0029821/step, 2.5 hours remaining, 209.105469 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: 1982000 728.5536 2138.8563 1963.1304 110.5883 -206553.8321 17752.2668 0.0000 0.0000 34261.9950 -149598.4417 299.2185 -183860.4366 -149503.7300 298.5975 -43.9846 -11.0019 556160.7002 -6.4575 -6.6388 PRESSURE: 1982200 -187.785 102.46 137.069 102.462 -240.159 121.944 137.069 121.944 47.6998 GPRESSURE: 1982200 -137.913 170.814 114.319 121.59 -188.158 87.2713 125.725 101.227 48.2171 PRESSAVG: 1982200 -62.7706 6.69312 -16.2916 6.69309 141.766 14.9895 -16.2916 14.9897 -7.68779 GPRESSAVG: 1982200 -61.1492 6.38511 -15.2495 8.1005 141.882 15.2644 -16.383 14.2595 -9.17082 TIMING: 1982200 CPU: 5976.92, 0.00301713/step Wall: 5976.92, 0.00301713/step, 2.52919 hours remaining, 209.105469 MB of memory in use. ENERGY: 1982200 748.1166 2055.0004 1939.5070 123.9723 -206471.8035 17730.4579 0.0000 0.0000 34234.5981 -149640.1511 298.9793 -183874.7492 -149543.7690 298.5078 -126.7482 -92.6181 556556.9134 23.7691 23.8539 PRESSURE: 1982400 -135.536 97.2422 40.8791 97.2413 112.349 161.464 40.8788 161.462 -114.031 GPRESSURE: 1982400 -160.188 49.1053 17.9061 93.9145 130.686 216.467 44.9832 123.046 -3.24141 PRESSAVG: 1982400 46.5624 3.84621 -41.3288 3.84623 -42.9274 31.6008 -41.329 31.6008 28.3166 GPRESSAVG: 1982400 45.71 5.02126 -42.9769 0.538341 -44.7047 32.7605 -41.5027 31.555 31.0789 TIMING: 1982400 CPU: 5977.52, 0.00299502/step Wall: 5977.52, 0.00299502/step, 2.51049 hours remaining, 209.105469 MB of memory in use. ENERGY: 1982400 738.9590 2104.5375 1901.8572 107.9400 -206094.1463 17714.3324 0.0000 0.0000 34013.0716 -149513.4487 297.0446 -183526.5202 -149420.7061 297.7397 -45.7393 -10.9144 556954.2325 10.6505 10.6947 PRESSURE: 1982600 -87.6871 35.3745 -33.9146 35.3746 71.0243 127.435 -33.9145 127.436 144.093 GPRESSURE: 1982600 -50.186 5.06482 -42.1373 62.8361 106.435 98.2383 45.7767 119.325 159.854 PRESSAVG: 1982600 -16.6866 14.4218 -71.2721 14.4218 25.0544 26.7089 -71.2721 26.709 3.71152 GPRESSAVG: 1982600 -16.5201 14.8191 -71.1256 16.5193 25.9312 25.5258 -70.2554 27.7662 2.03267 TIMING: 1982600 CPU: 5978.12, 0.00299794/step Wall: 5978.12, 0.00299794/step, 2.51277 hours remaining, 209.105469 MB of memory in use. ENERGY: 1982600 757.7388 2071.1568 1902.4158 112.3632 -206330.6910 17853.0371 0.0000 0.0000 34072.0023 -149561.9769 297.5593 -183633.9792 -149468.0972 298.5626 42.4766 72.0344 556955.9098 4.0264 3.8146 PRESSURE: 1982800 128.007 315.443 -57.5303 315.443 -156.531 -2.87868 -57.5306 -2.87878 46.4298 GPRESSURE: 1982800 182.917 360.807 -93.368 195.618 -141.027 -13.4888 2.5184 43.8895 65.4001 PRESSAVG: 1982800 -19.359 53.3433 -18.0997 53.3431 -28.1763 18.0446 -18.0997 18.0445 27.0984 GPRESSAVG: 1982800 -19.3423 53.6372 -17.2112 50.7591 -29.3651 18.9779 -19.9804 16.9557 27.9166 TIMING: 1982800 CPU: 5978.71, 0.00299338/step Wall: 5978.71, 0.00299338/step, 2.50878 hours remaining, 209.105469 MB of memory in use. ENERGY: 1982800 758.5151 2072.0964 1920.3465 115.7886 -206315.2735 17798.0399 0.0000 0.0000 34138.6803 -149511.8067 298.1416 -183650.4870 -149419.9027 298.3018 5.9684 35.7634 557311.0559 -6.8123 -6.9303 PRESSURE: 1983000 147.149 -39.4281 -74.0906 -39.4287 142.426 -110.315 -74.0906 -110.314 195.999 GPRESSURE: 1983000 166.22 -71.2623 -112.753 -56.1738 217.261 -114.951 -82.3099 -63.9294 187.748 PRESSAVG: 1983000 9.01533 7.88502 -46.1107 7.88498 -16.5811 -33.8393 -46.1107 -33.8392 35.4198 GPRESSAVG: 1983000 8.82575 6.64605 -48.632 11.3655 -16.0696 -32.7264 -42.3327 -33.2371 35.146 TIMING: 1983000 CPU: 5979.31, 0.00298225/step Wall: 5979.31, 0.00298225/step, 2.49929 hours remaining, 209.105469 MB of memory in use. ENERGY: 1983000 730.4851 2099.0871 1922.1179 129.3379 -206433.9115 17994.8739 0.0000 0.0000 33955.9666 -149602.0430 296.5459 -183558.0097 -149507.0262 298.2200 161.8580 190.4095 558318.5619 9.2847 9.3007 PRESSURE: 1983200 63.1007 -123.973 -39.5629 -123.972 -140.351 218.266 -39.5624 218.266 -217.314 GPRESSURE: 1983200 90.0681 -33.5886 9.09164 -166.662 -107.593 212.828 -65.7749 230.576 -183.428 PRESSAVG: 1983200 -16.5245 26.4845 -37.4923 26.4844 -41.1114 -17.8645 -37.4923 -17.8646 15.968 GPRESSAVG: 1983200 -16.0063 26.3414 -32.9838 25.1511 -40.7438 -19.0376 -41.9232 -19.2921 14.7338 TIMING: 1983200 CPU: 5979.91, 0.00299288/step Wall: 5979.91, 0.00299288/step, 2.50803 hours remaining, 209.105469 MB of memory in use. ENERGY: 1983200 761.6866 2066.0196 1935.3141 105.6570 -206390.8890 17827.8584 0.0000 0.0000 34296.8250 -149397.5284 299.5227 -183694.3534 -149303.0312 298.1854 -98.1881 -66.9841 559328.8731 -13.8893 -14.0054 PRESSURE: 1983400 121.649 201.727 70.587 201.729 -69.7274 63.0322 70.587 63.0335 325.567 GPRESSURE: 1983400 163.365 215.849 65.6734 217.168 -3.29907 -49.5043 47.8694 103.842 322.442 PRESSAVG: 1983400 12.8658 30.5022 -36.9912 30.5022 -4.20918 42.4386 -36.9912 42.4387 -17.025 GPRESSAVG: 1983400 11.8992 30.8846 -40.3771 29.3085 -3.90003 41.5926 -33.8326 44.173 -16.42 TIMING: 1983400 CPU: 5980.51, 0.00298556/step Wall: 5980.51, 0.00298556/step, 2.50174 hours remaining, 209.105469 MB of memory in use. ENERGY: 1983400 711.8127 2135.7327 1925.9163 107.6886 -206542.9364 18071.8562 0.0000 0.0000 34508.5174 -149081.4125 301.3715 -183589.9298 -148981.7159 299.3381 125.8292 160.8360 557867.6180 -2.7894 -2.8070 PRESSURE: 1983600 -130.574 -27.3717 140.654 -27.3709 153.722 240.421 140.655 240.422 33.4253 GPRESSURE: 1983600 -73.5387 -8.69822 145.596 -51.7182 141.453 239.492 143.475 237.263 84.6272 PRESSAVG: 1983600 -17.1767 43.8941 20.2465 43.8941 1.44995 74.9443 20.2466 74.9442 32.2066 GPRESSAVG: 1983600 -15.4342 44.4359 22.7259 44.1285 -0.302987 75.6336 18.0321 75.2998 32.4506 TIMING: 1983600 CPU: 5981.1, 0.00297437/step Wall: 5981.1, 0.00297437/step, 2.49219 hours remaining, 209.105469 MB of memory in use. ENERGY: 1983600 734.6011 2086.3489 1937.6529 112.5993 -205832.5517 17760.0012 0.0000 0.0000 34249.7836 -148951.5647 299.1119 -183201.3483 -148861.4366 299.5502 18.8577 50.8472 558884.9256 5.4933 5.5711 PRESSURE: 1983800 -204.595 25.3112 -151.183 25.3112 -450.637 105.93 -151.182 105.93 82.6421 GPRESSURE: 1983800 -158.634 -14.527 -126.63 67.9989 -484.275 95.5088 -220.437 38.0661 169.408 PRESSAVG: 1983800 -23.6271 12.9963 42.7521 12.9963 25.187 119.67 42.7522 119.67 -0.612367 GPRESSAVG: 1983800 -23.2873 12.468 40.5196 14.0867 24.1489 118.856 44.9127 118.262 -0.0114479 TIMING: 1983800 CPU: 5981.7, 0.00298706/step Wall: 5981.7, 0.00298706/step, 2.50266 hours remaining, 209.105469 MB of memory in use. ENERGY: 1983800 774.2663 2098.1330 1943.4134 114.3512 -205641.0937 17572.9620 0.0000 0.0000 34305.6008 -148832.3670 299.5993 -183137.9678 -148728.1649 299.7761 -190.8632 -157.8335 559765.8729 0.3159 0.2834 PRESSURE: 1984000 -204.905 -218.665 -181.549 -218.665 72.6447 125.141 -181.55 125.141 92.6012 GPRESSURE: 1984000 -137.117 -210.396 -203.873 -90.2796 53.5349 37.8338 -108.01 101.589 147.071 PRESSAVG: 1984000 -11.2418 -14.2042 -11.1737 -14.2041 30.6533 40.0293 -11.1737 40.0293 -31.0793 GPRESSAVG: 1984000 -11.3101 -14.8052 -9.65698 -14.9298 31.5034 40.6715 -12.7725 40.4081 -31.6674 TIMING: 1984000 CPU: 5982.29, 0.00297765/step Wall: 5982.29, 0.00297765/step, 2.49461 hours remaining, 209.105469 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: 1984000 771.3923 2166.4819 1930.6178 115.5785 -205985.7449 17779.6009 0.0000 0.0000 34332.9371 -148889.1364 299.8381 -183222.0736 -148795.5792 300.1310 -13.2199 21.1630 557907.9343 -3.8893 -3.8247 PRESSURE: 1984200 111.753 151.012 -65.2738 151.011 107.443 69.4684 -65.2734 69.4691 272.504 GPRESSURE: 1984200 165.572 123.329 -29.6169 148.857 148.55 103.373 2.03833 90.1106 284.985 PRESSAVG: 1984200 -5.83805 7.16439 35.2651 7.16441 43.1431 -8.55581 35.265 -8.55583 -53.1397 GPRESSAVG: 1984200 -7.45808 8.64626 34.0448 6.43548 43.9685 -7.62656 35.3722 -8.01163 -52.1451 TIMING: 1984200 CPU: 5982.89, 0.00298399/step Wall: 5982.89, 0.00298399/step, 2.49975 hours remaining, 209.105469 MB of memory in use. ENERGY: 1984200 760.8306 2141.7872 1944.4146 115.3665 -206251.6276 17965.7364 0.0000 0.0000 34324.9206 -148998.5716 299.7681 -183323.4922 -148899.3505 300.0251 163.8999 199.7019 557815.1222 -5.2782 -5.2115 LDB: ============= START OF LOAD BALANCING ============== 5986.41 LDB: ============== END OF LOAD BALANCING =============== 5986.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5986.41 LDB: ============= START OF LOAD BALANCING ============== 5986.71 LDB: Largest compute 4800 load 0.031236 is 26.5% of average load 0.118066 LDB: Average compute 0.001726 is 1.5% of average load 0.118066 LDB: TIME 5986.71 LOAD: AVG 0.118066 MAX 0.20614 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.273 MB LDB: TIME 5986.71 LOAD: AVG 0.118066 MAX 0.20614 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.273 MB LDB: TIME 5986.71 LOAD: AVG 0.118066 MAX 0.20614 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.273 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5986.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5986.72 PRESSURE: 1984400 62.054 -41.3341 -37.3484 -41.3333 30.4912 37.4569 -37.3487 37.4555 -136.599 GPRESSURE: 1984400 78.2833 -78.3411 2.66365 -51.9403 56.1762 -38.8628 -59.9003 78.6009 -72.7509 PRESSAVG: 1984400 50.8543 -21.9773 -58.5152 -21.9773 13.1863 -26.5259 -58.5151 -26.526 -37.4331 GPRESSAVG: 1984400 51.477 -24.5885 -57.7213 -19.6014 12.4981 -26.8737 -58.3382 -26.8247 -36.9768 TIMING: 1984400 CPU: 5983.5, 0.00303774/step Wall: 5983.5, 0.00303774/step, 2.54462 hours remaining, 209.617188 MB of memory in use. ENERGY: 1984400 760.3015 2135.4050 1942.3966 120.0636 -205684.1747 17503.8408 0.0000 0.0000 34187.9008 -149034.2665 298.5714 -183222.1673 -148936.5257 300.3761 -14.6847 20.5695 555879.5221 8.8692 8.9994 PRESSURE: 1984600 111.672 67.4234 94.289 67.4228 -218.625 -104.567 94.2887 -104.569 -171.245 GPRESSURE: 1984600 143.456 -16.7327 13.3136 21.009 -167.991 -129.813 186.082 -52.1573 -157.227 PRESSAVG: 1984600 18.9458 18.9189 27.0201 18.919 -2.04108 78.9527 27.0201 78.9527 9.45986 GPRESSAVG: 1984600 18.5902 20.3066 27.5427 16.4402 -1.42192 80.6392 25.455 77.5797 9.60923 TIMING: 1984600 CPU: 5984.1, 0.00298587/step Wall: 5984.1, 0.00298587/step, 2.501 hours remaining, 209.687500 MB of memory in use. ENERGY: 1984600 787.7843 2173.2703 1918.1720 106.2583 -205777.3665 17677.7479 0.0000 0.0000 34271.6310 -148842.5027 299.3027 -183114.1337 -148734.8545 299.7978 -92.7329 -60.5872 557614.5145 8.7882 8.9258 PRESSURE: 1984800 -168.221 -29.1739 -136.212 -29.1748 5.23093 103.514 -136.213 103.513 -165.386 GPRESSURE: 1984800 -138.081 -82.8219 -179.762 2.39954 11.7835 133.345 -33.7957 11.0136 -97.2193 PRESSAVG: 1984800 18.5968 -41.6182 -12.7463 -41.6182 28.8701 33.4084 -12.7463 33.4083 -70.0695 GPRESSAVG: 1984800 18.6416 -42.1535 -13.3236 -40.4928 30.098 32.7933 -11.3769 34.4943 -71.2225 TIMING: 1984800 CPU: 5984.69, 0.00296559/step Wall: 5984.69, 0.00296559/step, 2.48385 hours remaining, 209.687500 MB of memory in use. ENERGY: 1984800 755.9712 2103.6158 1930.7305 120.0804 -206251.0636 17775.3849 0.0000 0.0000 34656.7903 -148908.4906 302.6664 -183565.2809 -148810.5805 300.6036 -109.4587 -74.5055 556751.4847 -7.5342 -7.4943 PRESSURE: 1985000 107.792 81.4209 12.7612 81.42 142.534 159.437 12.7612 159.437 152.892 GPRESSURE: 1985000 126.257 55.1187 59.3092 135.309 173.109 250.848 2.9367 225.615 213.604 PRESSAVG: 1985000 -50.9322 37.641 -5.20695 37.641 15.6481 -2.48919 -5.20689 -2.48919 33.8249 GPRESSAVG: 1985000 -50.2019 39.9441 -7.4526 36.1186 14.0073 -4.18173 -5.34618 -2.62486 35.0541 TIMING: 1985000 CPU: 5985.29, 0.00298932/step Wall: 5985.29, 0.00298932/step, 2.50356 hours remaining, 209.687500 MB of memory in use. ENERGY: 1985000 757.9477 2113.1305 1944.5966 113.7567 -206281.7608 17887.7361 0.0000 0.0000 34644.9729 -148819.6203 302.5632 -183464.5933 -148717.9555 300.2216 134.4060 170.9902 556201.0262 -0.4864 -0.3802 PRESSURE: 1985200 130.279 108.224 16.9274 108.224 135.599 -11.9077 16.9266 -11.9084 -26.4356 GPRESSURE: 1985200 152.464 95.0382 -29.097 165.791 167.575 47.1963 83.834 -77.177 6.00026 PRESSAVG: 1985200 -27.472 -28.5268 26.4086 -28.5268 10.8983 4.82056 26.4085 4.82048 43.7533 GPRESSAVG: 1985200 -27.1381 -32.0052 27.5842 -25.9353 11.3376 6.70246 26.4041 6.86964 42.7233 TIMING: 1985200 CPU: 5985.89, 0.00300944/step Wall: 5985.89, 0.00300944/step, 2.52024 hours remaining, 209.687500 MB of memory in use. ENERGY: 1985200 761.8053 2111.2389 1933.5416 108.2822 -206295.4242 18008.5120 0.0000 0.0000 34316.6365 -149055.4077 299.6957 -183372.0442 -148960.6750 299.8360 79.8144 108.6796 558261.5935 9.0599 8.9743 PRESSURE: 1985400 -51.1992 104.001 -95.0038 104.002 48.0233 -171.886 -95.0034 -171.888 72.4702 GPRESSURE: 1985400 -52.5276 51.6909 -177.323 86.246 106.934 -235.808 -44.5716 -171.349 121.897 PRESSAVG: 1985400 -21.6813 43.749 17.7744 43.7489 109.261 27.5044 17.7744 27.5045 -77.7339 GPRESSAVG: 1985400 -22.2737 44.8343 16.7609 45.5289 108.337 27.8711 16.8965 25.9016 -75.8294 TIMING: 1985400 CPU: 5986.49, 0.00299834/step Wall: 5986.49, 0.00299834/step, 2.51078 hours remaining, 209.687500 MB of memory in use. ENERGY: 1985400 763.0503 2097.5307 1954.4922 111.9296 -206505.8347 18063.2189 0.0000 0.0000 34285.0538 -149230.5592 299.4199 -183515.6130 -149135.8780 300.1607 23.0981 58.7676 558535.8281 3.2819 3.4111 PRESSURE: 1985600 166.368 12.4224 -209.869 12.4222 -93.2829 -6.81847 -209.869 -6.81766 78.0347 GPRESSURE: 1985600 142.916 -28.0192 -177.133 35.8659 -24.5373 46.5288 -188.678 -57.0328 136.059 PRESSAVG: 1985600 -7.56025 -11.224 11.5076 -11.224 9.26368 5.84856 11.5076 5.84859 1.9934 GPRESSAVG: 1985600 -7.02285 -9.68302 13.055 -14.2515 10.0774 4.72831 13.491 6.73372 0.678988 TIMING: 1985600 CPU: 5987.08, 0.00296422/step Wall: 5987.08, 0.00296422/step, 2.48204 hours remaining, 209.687500 MB of memory in use. ENERGY: 1985600 722.0792 2151.9887 1934.1208 118.4054 -206351.3225 17835.5391 0.0000 0.0000 34462.7124 -149126.4770 300.9714 -183589.1894 -149018.9760 299.5363 50.3731 84.8124 557025.5786 1.2323 1.2445 PRESSURE: 1985800 -203.444 -171.474 110.701 -171.473 -105.018 -32.0375 110.701 -32.037 -97.7549 GPRESSURE: 1985800 -171.629 -89.3602 151.338 -251.283 -80.6725 -115.594 166.296 -4.32197 -49.8814 PRESSAVG: 1985800 -75.6698 -25.1771 45.7992 -25.1771 13.6272 -4.42939 45.7991 -4.42928 24.6776 GPRESSAVG: 1985800 -75.9856 -24.7791 45.6994 -23.5189 14.1529 -4.67022 45.9351 -4.80129 24.3563 TIMING: 1985800 CPU: 5987.69, 0.00302362/step Wall: 5987.69, 0.00302362/step, 2.53161 hours remaining, 209.757812 MB of memory in use. ENERGY: 1985800 750.3403 2180.0273 1931.9886 113.6127 -205923.3845 17611.3356 0.0000 0.0000 34079.6139 -149256.4661 297.6257 -183336.0800 -149158.7380 299.9576 -135.4056 -100.7278 558439.9618 -12.4550 -12.4921 PRESSURE: 1986000 145.616 139.9 147.066 139.9 -129.038 74.0173 147.065 74.0161 -57.6122 GPRESSURE: 1986000 157.929 81.5495 195.286 190.505 -69.5298 20.3219 95.4812 83.6391 -34.0628 PRESSAVG: 1986000 21.6487 3.46787 -2.75369 3.46782 -57.6497 -6.77109 -2.75373 -6.77111 27.0279 GPRESSAVG: 1986000 22.1685 2.7445 -2.72772 2.63827 -57.3718 -6.94412 -5.04778 -7.2996 26.5801 TIMING: 1986000 CPU: 5988.29, 0.00300021/step Wall: 5988.29, 0.00300021/step, 2.51184 hours remaining, 209.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1986000 785.9505 2187.2604 1942.0799 101.4547 -206337.0889 17871.5652 0.0000 0.0000 34119.3923 -149329.3859 297.9731 -183448.7782 -149232.4977 299.4124 -13.6779 18.1122 556731.2209 -2.9910 -2.8744 PRESSURE: 1986200 240.971 43.3553 13.9633 43.3552 157.619 -103.443 13.9641 -103.443 -205.795 GPRESSURE: 1986200 281.34 14.8345 35.919 83.4791 172.881 -129.008 -10.4273 -46.6729 -152.146 PRESSAVG: 1986200 61.2272 18.6792 15.9721 18.6792 13.1627 3.38693 15.972 3.38691 -29.9109 GPRESSAVG: 1986200 60.2699 17.081 16.416 18.6315 12.6838 2.87276 15.2305 3.60472 -29.1192 TIMING: 1986200 CPU: 5988.88, 0.00299192/step Wall: 5988.88, 0.00299192/step, 2.50473 hours remaining, 209.757812 MB of memory in use. ENERGY: 1986200 734.0602 2115.6339 1950.9379 111.6054 -206135.9340 17716.5085 0.0000 0.0000 34259.5186 -149247.6696 299.1969 -183507.1882 -149150.5929 299.7219 64.2651 100.6915 556926.1211 14.8263 14.6115 PRESSURE: 1986400 90.1364 142 106.587 142 -75.9288 -1.3431 106.588 -1.34342 -44.3723 GPRESSURE: 1986400 107.029 153.227 46.0442 172.858 -33.4799 -57.3312 36.7032 39.8549 -9.24796 PRESSAVG: 1986400 28.4355 48.0625 43.1752 48.0625 45.0799 -1.14183 43.1752 -1.14188 -57.2843 GPRESSAVG: 1986400 29.081 49.4559 41.5271 47.55 45.1666 -0.625889 45.5094 -0.665419 -57.8227 TIMING: 1986400 CPU: 5989.48, 0.0029983/step Wall: 5989.48, 0.0029983/step, 2.50991 hours remaining, 209.757812 MB of memory in use. ENERGY: 1986400 751.3603 2126.8856 1944.9271 119.4496 -206634.3017 17808.3087 0.0000 0.0000 34386.9845 -149496.3858 300.3101 -183883.3703 -149386.7581 299.0783 -10.0549 21.4336 555723.6812 5.4104 5.4750 PRESSURE: 1986600 -179.973 -173.761 30.949 -173.763 49.0278 -73.3931 30.9496 -73.3902 186.316 GPRESSURE: 1986600 -125.342 -121.865 111.846 -217.061 44.2793 -53.8412 41.3538 -99.4538 235.25 PRESSAVG: 1986600 -20.4768 6.23236 -1.74693 6.23235 17.2332 10.504 -1.74687 10.5041 30.3603 GPRESSAVG: 1986600 -20 6.48639 -1.4645 7.12995 16.3889 12.4929 -0.615397 10.9265 30.8106 TIMING: 1986600 CPU: 5990.08, 0.00298029/step Wall: 5990.08, 0.00298029/step, 2.49467 hours remaining, 209.757812 MB of memory in use. ENERGY: 1986600 772.9785 2114.9534 1903.5911 112.9964 -206581.5527 17937.0554 0.0000 0.0000 34212.0534 -149527.9246 298.7824 -183739.9779 -149428.6461 299.0914 18.4567 51.3955 556886.0428 9.0389 9.0665 PRESSURE: 1986800 -188.499 -58.2189 -23.4167 -58.2189 -180.75 -57.2899 -23.4154 -57.2892 -198.659 GPRESSURE: 1986800 -121.629 -91.9825 -46.8047 124.545 -188.985 -32.3594 -57.8393 -31.166 -165.723 PRESSAVG: 1986800 39.9352 -18.36 4.26949 -18.36 -66.8888 1.88506 4.26952 1.885 28.724 GPRESSAVG: 1986800 39.3561 -18.9954 4.45464 -18.7394 -66.5311 -0.0328464 3.32773 2.32385 29.5752 TIMING: 1986800 CPU: 5990.68, 0.00297782/step Wall: 5990.68, 0.00297782/step, 2.49243 hours remaining, 209.757812 MB of memory in use. ENERGY: 1986800 709.9769 2126.2391 1894.6752 96.8437 -206012.8291 17442.6849 0.0000 0.0000 34301.4715 -149440.9377 299.5633 -183742.4092 -149341.9438 298.6353 -189.3027 -158.7791 556304.5760 0.5902 0.8000 PRESSURE: 1987000 274.369 -140.848 -80.193 -140.848 -211.981 88.3835 -80.1934 88.384 172.002 GPRESSURE: 1987000 252.003 -88.6124 -73.2355 -200.582 -119.711 137.006 -7.27314 115.534 211.066 PRESSAVG: 1987000 14.1632 -40.7632 -48.6694 -40.7632 -2.8471 31.8714 -48.6695 31.8715 -14.5055 GPRESSAVG: 1987000 13.3707 -40.3004 -48.5626 -39.6948 -1.50463 30.7837 -48.5379 33.5822 -14.6616 TIMING: 1987000 CPU: 5991.28, 0.00300168/step Wall: 5991.28, 0.00300168/step, 2.51224 hours remaining, 209.757812 MB of memory in use. ENERGY: 1987000 748.6085 2169.0277 1911.7198 111.3520 -206684.4549 17966.1443 0.0000 0.0000 34199.7157 -149577.8868 298.6746 -183777.6025 -149478.1715 298.4188 78.1303 114.4527 555047.7241 -1.0631 -0.9318 PRESSURE: 1987200 -237.394 -119.318 -229.089 -119.318 -20.406 43.1852 -229.091 43.1861 65.1523 GPRESSURE: 1987200 -175.448 -75.1885 -197.605 -42.6758 36.8282 42.6125 -292.695 -36.6656 59.165 PRESSAVG: 1987200 52.6325 -24.9925 -72.9685 -24.9926 35.7538 27.6919 -72.9685 27.6919 -52.9472 GPRESSAVG: 1987200 53.4528 -26.6433 -72.9408 -26.5842 36.214 27.3206 -73.9111 24.9726 -54.1315 TIMING: 1987200 CPU: 5991.88, 0.00303009/step Wall: 5991.88, 0.00303009/step, 2.53585 hours remaining, 209.757812 MB of memory in use. ENERGY: 1987200 775.2019 2147.0600 1933.5871 97.6842 -206392.8953 17701.6111 0.0000 0.0000 34065.0284 -149672.7227 297.4984 -183737.7511 -149572.5661 298.6720 -64.2160 -26.4849 555286.4632 11.8130 11.8451 PRESSURE: 1987400 -212.828 75.9995 44.4662 75.9994 -187.222 -58.2452 44.4659 -58.2433 -205.277 GPRESSURE: 1987400 -171.407 9.8783 16.9795 17.4502 -187.884 -35.1851 -7.20457 -146.441 -165.002 PRESSAVG: 1987400 -18.6973 -14.3179 -26.4433 -14.3178 67.3492 43.4643 -26.4434 43.4643 -47.4519 GPRESSAVG: 1987400 -18.7178 -14.6684 -28.7144 -12.7294 66.0416 45.6899 -24.8895 43.3601 -46.3351 TIMING: 1987400 CPU: 5992.48, 0.00300841/step Wall: 5992.48, 0.00300841/step, 2.51754 hours remaining, 209.757812 MB of memory in use. ENERGY: 1987400 759.0105 2099.9561 1904.1127 116.6723 -206512.1778 17632.7159 0.0000 0.0000 34117.1040 -149882.6064 297.9532 -183999.7103 -149786.1839 298.5062 -201.7756 -174.7646 556557.4300 0.4000 0.3296 PRESSURE: 1987600 240.893 -84.565 -10.8641 -84.5656 -137.414 182.355 -10.8645 182.356 25.0075 GPRESSURE: 1987600 235.131 -98.7276 31.4816 -108.546 -78.161 174.678 -65.351 112.734 74.0387 PRESSAVG: 1987600 33.3395 -9.55467 13.3291 -9.55466 6.41777 37.6033 13.3292 37.6034 -2.44428 GPRESSAVG: 1987600 33.0926 -8.08862 16.5228 -11.4209 7.36406 37.2893 11.0371 36.4197 -3.13844 TIMING: 1987600 CPU: 5993.08, 0.00297604/step Wall: 5993.08, 0.00297604/step, 2.49028 hours remaining, 209.757812 MB of memory in use. ENERGY: 1987600 737.7869 2140.7101 1887.2070 108.3997 -206684.5695 17963.8795 0.0000 0.0000 34202.1666 -149644.4196 298.6960 -183846.5862 -149552.9369 298.1336 42.8289 77.0029 556801.2880 12.4377 12.4394 PRESSURE: 1987800 -71.0884 164.559 180.543 164.559 -55.4732 35.2019 180.544 35.2027 84.1181 GPRESSURE: 1987800 -99.9196 110.613 165.212 149.897 -16.6571 -26.9802 111.391 76.0976 163.898 PRESSAVG: 1987800 -26.4662 -35.8908 60.369 -35.8908 21.4572 -13.2404 60.369 -13.2403 33.8528 GPRESSAVG: 1987800 -26.969 -35.0061 59.7459 -35.3367 20.8662 -13.2126 61.4765 -14.2303 34.9512 TIMING: 1987800 CPU: 5993.68, 0.00299358/step Wall: 5993.68, 0.00299358/step, 2.50479 hours remaining, 209.757812 MB of memory in use. ENERGY: 1987800 713.4536 2104.4171 1888.4632 110.1242 -206625.7572 17926.0677 0.0000 0.0000 34213.0765 -149670.1550 298.7913 -183883.2315 -149569.8695 297.7654 -14.1479 15.7737 556681.2659 9.6146 9.6161 PRESSURE: 1988000 -124.984 -76.7611 -131.481 -76.7606 -178.181 159.867 -131.48 159.866 9.1608 GPRESSURE: 1988000 -124.869 -58.8256 -134.282 -28.4124 -153.181 282.333 -107.299 85.6915 71.4863 PRESSAVG: 1988000 -29.5075 -7.53553 -9.50281 -7.53557 67.9223 6.5826 -9.50277 6.58265 -22.4055 GPRESSAVG: 1988000 -28.7381 -5.72032 -10.884 -9.7288 69.4543 4.70341 -8.74493 11.0292 -24.2023 TIMING: 1988000 CPU: 5994.28, 0.00299662/step Wall: 5994.28, 0.00299662/step, 2.50717 hours remaining, 209.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1988000 721.3152 2116.3271 1919.8238 129.1873 -206216.6100 17578.0265 0.0000 0.0000 34119.3112 -149632.6190 297.9724 -183751.9302 -149545.8470 298.0909 -98.0013 -68.8547 557378.4270 5.3364 5.5046 PRESSURE: 1988200 -109.815 189.963 25.9947 189.964 -177.703 25.0006 25.9958 24.9983 -188.036 GPRESSURE: 1988200 -45.9789 145.469 103.769 239.66 -144.008 -2.37094 -18.9092 27.9005 -189.009 PRESSAVG: 1988200 -27.848 -5.43484 11.111 -5.43493 116.357 7.80031 11.1111 7.80031 -58.2856 GPRESSAVG: 1988200 -28.3577 -6.76517 11.5696 -4.40936 115.4 8.54684 9.53191 6.98865 -56.5001 TIMING: 1988200 CPU: 5994.88, 0.00301172/step Wall: 5994.88, 0.00301172/step, 2.51964 hours remaining, 209.757812 MB of memory in use. ENERGY: 1988200 741.9319 2156.5612 1909.8386 116.6493 -206011.0411 17566.9049 0.0000 0.0000 34044.1722 -149474.9829 297.3162 -183519.1551 -149379.5226 298.4960 -158.5181 -126.3322 557359.7143 10.0744 10.1809 LDB: ============= START OF LOAD BALANCING ============== 5998.4 LDB: ============== END OF LOAD BALANCING =============== 5998.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5998.4 LDB: ============= START OF LOAD BALANCING ============== 5998.7 LDB: Largest compute 4772 load 0.030889 is 26.2% of average load 0.118103 LDB: Average compute 0.001730 is 1.5% of average load 0.118103 LDB: TIME 5998.7 LOAD: AVG 0.118103 MAX 0.205915 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.016 MB LDB: TIME 5998.7 LOAD: AVG 0.118103 MAX 0.205915 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.047 MB LDB: TIME 5998.7 LOAD: AVG 0.118103 MAX 0.205915 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.047 MB LDB: ============== END OF LOAD BALANCING =============== 5998.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5998.7 PRESSURE: 1988400 -266.562 3.18086 81.4857 3.18215 29.559 -116.885 81.4859 -116.883 -161.243 GPRESSURE: 1988400 -189.847 -1.32553 140.691 17.0381 88.5853 -68.6408 -29.8089 -122.282 -196.861 PRESSAVG: 1988400 -51.3013 24.7609 -30.9171 24.7608 66.0975 7.29894 -30.9171 7.29899 3.67745 GPRESSAVG: 1988400 -50.5964 25.2847 -29.2122 24.9068 66.1311 8.31046 -31.4576 5.35029 2.93371 TIMING: 1988400 CPU: 5995.49, 0.0030421/step Wall: 5995.49, 0.0030421/step, 2.54488 hours remaining, 210.328125 MB of memory in use. ENERGY: 1988400 740.0319 2072.9931 1950.5313 119.4856 -205965.5756 17602.2375 0.0000 0.0000 34121.0036 -149359.2926 297.9872 -183480.2962 -149260.5809 298.3772 -132.7485 -99.3741 558819.0322 6.1579 6.1561 PRESSURE: 1988600 -78.3302 -39.7741 -168.144 -39.7737 28.0115 -142.295 -168.145 -142.295 121.375 GPRESSURE: 1988600 -51.6076 -51.7799 -175.067 -8.74819 104.894 -129.406 -134.809 -173.889 120.208 PRESSAVG: 1988600 -15.1165 13.8585 49.6041 13.8586 74.8821 -26.675 49.6041 -26.6751 -58.7356 GPRESSAVG: 1988600 -15.7049 12.171 47.6878 13.8074 74.093 -25.5616 52.2231 -28.2445 -58.2899 TIMING: 1988600 CPU: 5996.09, 0.00299056/step Wall: 5996.09, 0.00299056/step, 2.5016 hours remaining, 210.394531 MB of memory in use. ENERGY: 1988600 751.7258 2052.2546 1934.8555 114.7967 -206531.7010 17968.4996 0.0000 0.0000 34245.6204 -149463.9485 299.0755 -183709.5689 -149361.6607 298.9214 23.6854 57.8315 557857.7780 0.3433 0.0327 PRESSURE: 1988800 -20.3854 104.309 78.7035 104.309 -139.636 11.6235 78.7038 11.6247 -196.011 GPRESSURE: 1988800 55.4977 133.551 105.724 140.009 -171.123 -24.1812 102.308 21.8306 -133.828 PRESSAVG: 1988800 -35.8688 13.5729 76.0297 13.573 39.0461 73.4648 76.0297 73.465 4.37619 GPRESSAVG: 1988800 -35.7869 13.2314 75.8896 13.9751 39.3275 71.6863 76.3014 76.2612 4.18825 TIMING: 1988800 CPU: 5996.68, 0.00299332/step Wall: 5996.68, 0.00299332/step, 2.50374 hours remaining, 210.597656 MB of memory in use. ENERGY: 1988800 765.1699 2059.1525 1901.0433 104.7146 -205901.4074 17537.2273 0.0000 0.0000 34208.6275 -149325.4724 298.7525 -183534.0999 -149227.0191 299.0188 -118.6774 -83.1511 556834.5847 2.5178 2.5763 PRESSURE: 1989000 294.177 -53.1215 13.9653 -53.1216 230.955 -289.361 13.9651 -289.36 -56.0032 GPRESSURE: 1989000 322.579 -69.3671 33.0814 -104.286 231.708 -205.669 -4.92049 -232.276 4.27267 PRESSAVG: 1989000 31.3716 -29.743 -9.80475 -29.743 -36.0527 4.72815 -9.80481 4.7282 -41.1413 GPRESSAVG: 1989000 30.4011 -30.2394 -7.90177 -30.9445 -35.729 4.57031 -10.8439 4.80006 -41.2724 TIMING: 1989000 CPU: 5997.29, 0.00300389/step Wall: 5997.29, 0.00300389/step, 2.51242 hours remaining, 210.597656 MB of memory in use. ENERGY: 1989000 717.4755 2052.0001 1918.5978 106.7562 -206433.2369 18089.7478 0.0000 0.0000 34238.1557 -149310.5038 299.0103 -183548.6595 -149214.1039 298.3676 156.3761 186.1863 556916.1254 -15.2741 -15.5334 PRESSURE: 1989200 469.733 47.0022 -131.766 47.0017 246.758 -23.7179 -131.766 -23.7177 371.553 GPRESSURE: 1989200 504.739 52.9424 -132.406 9.37391 244.776 -32.5036 -181.363 -95.1655 442.205 PRESSAVG: 1989200 111.519 17.6149 -34.8965 17.6151 -74.7841 -52.5784 -34.8966 -52.5784 -43.2549 GPRESSAVG: 1989200 113.397 18.7779 -36.3144 17.9633 -75.7087 -53.6426 -34.9853 -50.9456 -43.7578 TIMING: 1989200 CPU: 5997.88, 0.00298032/step Wall: 5997.88, 0.00298032/step, 2.49254 hours remaining, 210.597656 MB of memory in use. ENERGY: 1989200 764.5889 2114.7558 1917.5520 119.1051 -207074.2880 18581.3336 0.0000 0.0000 34338.3320 -149238.6206 299.8852 -183576.9526 -149153.5261 298.9116 362.6813 397.2402 554954.3673 -2.1734 -2.0231 PRESSURE: 1989400 -145.153 -23.3021 29.6431 -23.3015 -284.927 -175.03 29.6426 -175.031 -73.5342 GPRESSURE: 1989400 -60.4932 -49.1625 -34.6412 -36.3187 -247.281 -195.788 80.4617 -77.4408 -96.6513 PRESSAVG: 1989400 84.4521 34.8802 -12.4948 34.88 -45.7173 -53.6118 -12.4947 -53.6117 -5.68942 GPRESSAVG: 1989400 84.1638 35.6158 -11.4127 34.9903 -44.7832 -53.3923 -12.2399 -56.8829 -6.6803 TIMING: 1989400 CPU: 5998.48, 0.00297671/step Wall: 5998.48, 0.00297671/step, 2.48936 hours remaining, 210.597656 MB of memory in use. ENERGY: 1989400 750.1573 2084.6204 1915.2656 112.2477 -205763.3042 17523.9242 0.0000 0.0000 34283.2447 -149093.8443 299.4041 -183377.0890 -149002.9791 300.0599 -167.8713 -134.8086 557809.1336 11.0151 10.9001 PRESSURE: 1989600 130.192 115.716 -28.1752 115.716 -115.803 -119.32 -28.1758 -119.321 -41.6253 GPRESSURE: 1989600 193.055 100.161 -10.5213 129.716 -97.0998 -44.5072 20.115 -195.461 -35.745 PRESSAVG: 1989600 3.91934 33.294 28.4418 33.2941 18.5066 -7.92531 28.4417 -7.92537 -16.2689 GPRESSAVG: 1989600 3.35711 32.8138 26.5523 34.4429 18.2011 -7.46076 27.9104 -8.78736 -14.7947 TIMING: 1989600 CPU: 5999.07, 0.00298631/step Wall: 5999.07, 0.00298631/step, 2.49722 hours remaining, 210.597656 MB of memory in use. ENERGY: 1989600 767.3091 2103.2507 1891.5643 111.3661 -206173.4648 17871.5729 0.0000 0.0000 34408.9837 -149019.4180 300.5022 -183428.4017 -148927.7462 299.8209 -9.0786 20.0700 558956.1943 2.0524 2.2545 PRESSURE: 1989800 -52.7117 103.083 27.7664 103.082 -371.567 63.4322 27.7668 63.4329 -312.109 GPRESSURE: 1989800 -32.5462 36.0407 5.84094 201.745 -331.128 7.35704 -18.421 7.24524 -261.473 PRESSAVG: 1989800 64.0206 -8.1165 45.3781 -8.11657 -32.0115 34.5956 45.3781 34.5955 -19.0928 GPRESSAVG: 1989800 64.8285 -8.357 45.8769 -9.1048 -32.9375 35.6835 44.9124 35.9408 -18.2875 TIMING: 1989800 CPU: 5999.67, 0.00300042/step Wall: 5999.67, 0.00300042/step, 2.50885 hours remaining, 210.597656 MB of memory in use. ENERGY: 1989800 736.1510 2101.9720 1895.2710 116.4720 -205862.0593 17546.5814 0.0000 0.0000 34289.7932 -149175.8187 299.4613 -183465.6118 -149079.8846 299.0541 -245.4627 -208.3825 559762.6789 4.3055 4.5345 PRESSURE: 1990000 -161.044 61.9685 -11.436 61.9685 -2.63644 -51.1386 -11.4364 -51.137 -73.4166 GPRESSURE: 1990000 -120.384 84.8008 64.6431 28.1655 -31.4735 -19.2281 -52.4004 -39.1474 10.3311 PRESSAVG: 1990000 35.7242 -10.843 84.6613 -10.843 76.2934 -36.4178 84.6613 -36.4177 -63.0169 GPRESSAVG: 1990000 35.1053 -13.295 85.7181 -10.4701 77.3493 -38.4787 85.5747 -36.7315 -63.1791 TIMING: 1990000 CPU: 6000.27, 0.00298412/step Wall: 6000.27, 0.00298412/step, 2.49505 hours remaining, 210.597656 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: 1990000 724.8646 2127.6639 1910.3625 108.0481 -206024.1834 17737.5639 0.0000 0.0000 34250.2500 -149165.4304 299.1160 -183415.6804 -149079.5153 298.9042 -79.0324 -47.1754 559427.8816 16.3336 16.4252 PRESSURE: 1990200 -22.5419 70.7791 -97.5421 70.7795 224.618 -155.648 -97.5431 -155.648 161.814 GPRESSURE: 1990200 6.2718 50.4561 -72.1311 111.052 231.783 -70.1219 -137.216 -211.633 235.521 PRESSAVG: 1990200 -90.6368 15.0663 -1.52084 15.0663 -2.07705 -38.9458 -1.52089 -38.9459 63.1353 GPRESSAVG: 1990200 -90.8067 17.3009 -1.72552 14.5268 -2.38835 -35.8308 -1.76653 -42.1206 63.175 TIMING: 1990200 CPU: 6000.87, 0.00301092/step Wall: 6000.87, 0.00301092/step, 2.51729 hours remaining, 210.597656 MB of memory in use. ENERGY: 1990200 747.7909 2132.2886 1929.4156 108.6799 -206617.4789 18113.3248 0.0000 0.0000 34322.2389 -149263.7401 299.7446 -183585.9791 -149170.4089 299.0426 121.2969 157.8585 558355.6672 -9.8595 -10.0067 PRESSURE: 1990400 -65.1513 150.722 -106.727 150.723 -32.128 -8.88204 -106.727 -8.88161 -116.348 GPRESSURE: 1990400 -34.1019 166.373 -142.613 137.199 3.08139 45.3016 -85.1234 -61.6972 -79.7447 PRESSAVG: 1990400 -62.3489 2.01398 -7.64315 2.01407 -39.4516 32.9054 -7.64326 32.9056 99.1246 GPRESSAVG: 1990400 -62.2683 -0.178738 -9.33004 2.95678 -39.5349 32.1531 -5.85633 36.4956 99.2472 TIMING: 1990400 CPU: 6001.48, 0.00301542/step Wall: 6001.48, 0.00301542/step, 2.52089 hours remaining, 210.597656 MB of memory in use. ENERGY: 1990400 737.5132 2044.8659 1934.7439 114.4555 -206014.9201 17728.8077 0.0000 0.0000 34278.7195 -149175.8143 299.3646 -183454.5339 -149075.0842 299.0417 -71.2091 -36.9217 558664.6275 -0.8920 -0.8520 PRESSURE: 1990600 31.5012 189.862 -38.2552 189.86 -185.974 -175.671 -38.2556 -175.67 209.041 GPRESSURE: 1990600 35.6054 183.699 -15.3819 117.262 -87.5786 -194.149 -42.56 -76.1832 216.074 PRESSAVG: 1990600 -26.933 10.8711 -27.279 10.871 30.1495 -24.5839 -27.279 -24.5838 33.8426 GPRESSAVG: 1990600 -26.4602 12.6271 -25.2276 11.3787 30.2388 -25.5426 -28.7485 -24.5016 33.2307 TIMING: 1990600 CPU: 6002.07, 0.00298535/step Wall: 6002.07, 0.00298535/step, 2.49559 hours remaining, 210.597656 MB of memory in use. ENERGY: 1990600 721.7072 2089.2259 1929.9721 107.3577 -206051.4942 17808.6537 0.0000 0.0000 34196.3715 -149198.2060 298.6454 -183394.5775 -149102.0265 299.4808 18.1894 54.7003 557783.2450 12.3530 12.3364 PRESSURE: 1990800 -177.039 -68.6372 -140.481 -68.6386 29.4919 -118.613 -140.481 -118.616 237.589 GPRESSURE: 1990800 -156.253 -66.6992 -139.748 -49.0142 95.5416 -132.312 -86.6698 -52.9458 230.16 PRESSAVG: 1990800 -70.2687 -22.7376 2.0687 -22.7377 17.4581 8.42279 2.06876 8.42284 3.14662 GPRESSAVG: 1990800 -70.3043 -23.4577 2.18051 -24.4432 17.9309 6.31048 0.118606 10.9124 2.59316 TIMING: 1990800 CPU: 6002.68, 0.00302017/step Wall: 6002.68, 0.00302017/step, 2.52453 hours remaining, 210.597656 MB of memory in use. ENERGY: 1990800 744.2727 2062.2536 1964.9176 123.1298 -206493.9307 18116.2202 0.0000 0.0000 34206.6573 -149276.4794 298.7352 -183483.1368 -149177.2326 298.7469 30.0139 56.4828 557765.1020 -16.5547 -16.5934 PRESSURE: 1991000 -349.585 -43.9302 -132.516 -43.9302 -119.792 -70.8097 -132.514 -70.8109 104.099 GPRESSURE: 1991000 -274.1 -48.582 -120.016 -40.4254 -138.593 -93.7615 -159.586 -30.5861 154.564 PRESSAVG: 1991000 -43.0516 -27.6489 -19.7655 -27.6489 26.3918 30.7159 -19.7655 30.7158 17.1043 GPRESSAVG: 1991000 -44.0277 -28.9715 -19.3955 -28.7223 26.6589 32.9091 -19.7935 27.6846 18.5005 TIMING: 1991000 CPU: 6003.28, 0.00301602/step Wall: 6003.28, 0.00301603/step, 2.52089 hours remaining, 210.597656 MB of memory in use. ENERGY: 1991000 740.1913 2116.8089 1946.3880 122.9102 -205781.9242 17605.1730 0.0000 0.0000 34236.3031 -149014.1497 298.9941 -183250.4527 -148916.4379 299.2236 -121.7593 -86.0427 558953.4622 0.1482 0.3773 PRESSURE: 1991200 -113.836 70.6908 81.2624 70.6908 -175.936 -71.1551 81.2627 -71.155 -394.425 GPRESSURE: 1991200 -23.471 24.4719 29.7407 48.7233 -211.892 -23.7042 29.6837 -41.4381 -368.723 PRESSAVG: 1991200 46.5942 -13.152 16.1969 -13.1521 -8.24879 -33.1795 16.1969 -33.1795 -30.6491 GPRESSAVG: 1991200 47.6 -10.6714 15.0306 -12.3973 -8.68748 -32.5391 15.5945 -34.2519 -31.9135 TIMING: 1991200 CPU: 6003.88, 0.00299254/step Wall: 6003.88, 0.00299254/step, 2.5011 hours remaining, 210.597656 MB of memory in use. ENERGY: 1991200 779.1242 2104.7237 1969.0295 114.5188 -205869.5020 17682.2207 0.0000 0.0000 34106.9616 -149112.9236 297.8646 -183219.8852 -149016.3728 299.6603 -228.0656 -201.3620 559644.9354 2.5654 2.3330 PRESSURE: 1991400 81.5963 -14.6366 -62.5935 -14.6368 -149.06 53.0976 -62.5929 53.0984 126.258 GPRESSURE: 1991400 146.018 -14.9248 -123.887 -22.6725 -105.436 8.20779 -28.3279 20.5755 108.216 PRESSAVG: 1991400 -10.9048 13.8627 77.1569 13.8627 30.9161 2.05124 77.1569 2.05135 9.06987 GPRESSAVG: 1991400 -11.002 12.7523 77.5694 14.2764 31.1965 2.32816 78.0385 0.446113 9.64376 TIMING: 1991400 CPU: 6004.47, 0.00297458/step Wall: 6004.47, 0.00297458/step, 2.48592 hours remaining, 210.597656 MB of memory in use. ENERGY: 1991400 724.3148 2110.6476 1962.1616 110.9667 -206457.1153 18037.0881 0.0000 0.0000 34519.2414 -148992.6951 301.4651 -183511.9365 -148897.7671 300.1377 19.5982 49.5995 559265.5812 9.6937 9.9461 PRESSURE: 1991600 27.4401 72.9604 -59.3897 72.9605 -55.1085 -4.98267 -59.3903 -4.98295 30.3124 GPRESSURE: 1991600 112.734 107.573 -126.942 -0.479418 -1.01366 -66.2422 38.0233 84.0795 -17.8697 PRESSAVG: 1991600 37.6215 -22.9716 -14.9347 -22.9716 -72.0829 45.6448 -14.9347 45.6448 -9.19939 GPRESSAVG: 1991600 37.3665 -22.361 -14.2194 -22.4337 -70.6469 44.1293 -13.5576 49.1872 -10.1029 TIMING: 1991600 CPU: 6005.07, 0.00298541/step Wall: 6005.07, 0.00298541/step, 2.49481 hours remaining, 210.597656 MB of memory in use. ENERGY: 1991600 750.5724 2060.7147 1951.0912 114.4409 -206421.7101 17885.1481 0.0000 0.0000 34500.0214 -149159.7214 301.2973 -183659.7428 -149062.6993 300.2703 0.8813 31.2835 558265.2523 -14.5536 -14.4611 PRESSURE: 1991800 -57.191 159.624 -78.9966 159.624 -300.148 -81.1398 -78.9964 -81.1407 -181.25 GPRESSURE: 1991800 -60.6086 139.68 -135.803 230.489 -260.493 -51.0441 -40.5599 -117.233 -108.086 PRESSAVG: 1991800 72.9968 -10.7307 -18.7234 -10.7306 -11.6628 -31.8573 -18.7234 -31.8575 -45.6159 GPRESSAVG: 1991800 72.5776 -12.2436 -19.8266 -11.5934 -13.2328 -31.0598 -17.3447 -35.188 -43.7625 TIMING: 1991800 CPU: 6005.67, 0.00301762/step Wall: 6005.67, 0.00301762/step, 2.52155 hours remaining, 210.597656 MB of memory in use. ENERGY: 1991800 758.6510 2075.6460 1950.1974 122.8938 -206418.8700 17855.9163 0.0000 0.0000 34595.9456 -149059.6199 302.1350 -183655.5655 -148961.5234 300.0672 -179.5298 -143.0627 558978.5805 5.2393 5.1941 PRESSURE: 1992000 -72.9567 73.4811 134.099 73.4811 -93.3829 -35.7217 134.099 -35.7209 -290.984 GPRESSURE: 1992000 26.6105 76.3817 49.6905 34.0531 -105.386 -1.04814 139.779 -54.618 -291.939 PRESSAVG: 1992000 98.6463 -11.491 43.2158 -11.4909 19.0325 -28.0805 43.2157 -28.0806 -66.9448 GPRESSAVG: 1992000 98.8769 -12.0571 44.1226 -10.09 19.1593 -29.3944 40.3559 -26.0041 -67.5753 TIMING: 1992000 CPU: 6006.28, 0.00301323/step Wall: 6006.28, 0.00301323/step, 2.51772 hours remaining, 210.597656 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: 1992000 774.3784 2124.3548 1938.4703 111.1449 -205968.9816 17800.7608 0.0000 0.0000 34086.0777 -149133.7947 297.6822 -183219.8724 -149042.1471 299.8737 -152.4411 -123.5712 559124.8022 16.9113 16.8203 PRESSURE: 1992200 -250.259 -18.4493 -92.3044 -18.4488 -97.1097 -55.0205 -92.3052 -55.0223 -64.4299 GPRESSURE: 1992200 -248.561 3.60275 -33.0677 -57.3351 -5.6311 -90.1322 -96.8204 -23.5158 -60.2195 PRESSAVG: 1992200 47.6797 -57.4056 42.5182 -57.4056 60.876 -46.5985 42.5182 -46.5985 -106.694 GPRESSAVG: 1992200 48.217 -57.1088 42.6807 -58.0022 60.4305 -46.06 44.4723 -47.4812 -106.97 TIMING: 1992200 CPU: 6006.88, 0.00299651/step Wall: 6006.88, 0.00299651/step, 2.50359 hours remaining, 210.597656 MB of memory in use. ENERGY: 1992200 782.8638 2096.2190 1926.8005 112.5969 -205855.4666 17561.8903 0.0000 0.0000 34084.9206 -149290.1755 297.6721 -183375.0960 -149196.2024 298.2070 -137.2661 -104.8039 558205.2584 0.6206 0.5592 LDB: ============= START OF LOAD BALANCING ============== 6010.39 LDB: ============== END OF LOAD BALANCING =============== 6010.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6010.4 LDB: ============= START OF LOAD BALANCING ============== 6010.7 LDB: Largest compute 4800 load 0.031444 is 26.6% of average load 0.118032 LDB: Average compute 0.001727 is 1.5% of average load 0.118032 LDB: TIME 6010.7 LOAD: AVG 0.118032 MAX 0.207412 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.398 MB LDB: TIME 6010.7 LOAD: AVG 0.118032 MAX 0.207412 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.527 MB LDB: TIME 6010.7 LOAD: AVG 0.118032 MAX 0.207412 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.527 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6010.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6010.71 PRESSURE: 1992400 -186.82 -16.3144 89.4579 -16.3129 -205.749 -145.49 89.4583 -145.489 -199.823 GPRESSURE: 1992400 -162.936 -13.9089 55.71 4.12649 -191.687 -96.496 100.349 -161.993 -142.379 PRESSAVG: 1992400 46.4775 13.3935 9.32533 13.3934 -52.723 -39.5148 9.32538 -39.5148 -13.7511 GPRESSAVG: 1992400 45.7887 14.9833 9.23001 13.5572 -52.4961 -38.7397 7.54205 -37.9626 -13.1598 TIMING: 1992400 CPU: 6007.49, 0.0030667/step Wall: 6007.49, 0.0030667/step, 2.56206 hours remaining, 208.394531 MB of memory in use. ENERGY: 1992400 736.0746 2089.7876 1909.0034 115.4645 -205695.6783 17501.2369 0.0000 0.0000 34060.4046 -149283.7067 297.4580 -183344.1113 -149184.8484 298.6098 -197.4639 -165.6672 560328.3093 -6.6655 -6.6224 PRESSURE: 1992600 -165.67 -137.089 96.902 -137.088 -6.50443 117.208 96.9021 117.207 313.872 GPRESSURE: 1992600 -116.571 -169.618 112.994 -113.243 66.5669 113.22 50.8495 67.9141 298.424 PRESSAVG: 1992600 1.41371 -8.81014 -20.6273 -8.81007 -39.8485 -35.0333 -20.6274 -35.0333 25.273 GPRESSAVG: 1992600 1.05758 -10.4167 -19.8219 -8.19028 -38.7103 -34.7563 -19.1404 -35.6924 24.6403 TIMING: 1992600 CPU: 6008.09, 0.00300257/step Wall: 6008.09, 0.00300257/step, 2.50832 hours remaining, 208.597656 MB of memory in use. ENERGY: 1992600 786.8227 2156.3438 1908.7653 109.7837 -206366.7957 17840.0766 0.0000 0.0000 34100.7237 -149464.2799 297.8101 -183565.0036 -149371.0629 298.6973 47.2325 82.8066 557827.1384 -4.3873 -4.3375 PRESSURE: 1992800 -192.874 -10.1411 -115.252 -10.1416 -175.228 136.174 -115.252 136.172 -313.456 GPRESSURE: 1992800 -159.958 -37.0512 -114.275 -8.88065 -162.396 60.8462 -172.322 142.87 -260.063 PRESSAVG: 1992800 -16.5509 48.9375 53.7961 48.9375 36.3432 16.4267 53.7962 16.4267 -35.4127 GPRESSAVG: 1992800 -16.7142 46.5937 52.7768 50.1536 35.3273 15.0492 52.8999 15.7993 -34.8338 TIMING: 1992800 CPU: 6008.69, 0.00300632/step Wall: 6008.69, 0.00300632/step, 2.51128 hours remaining, 208.597656 MB of memory in use. ENERGY: 1992800 743.2293 2125.3297 1918.8827 124.9613 -206236.0822 17513.1270 0.0000 0.0000 34214.6976 -149595.8546 298.8055 -183810.5522 -149503.1077 298.2475 -227.1859 -194.1394 558685.3954 -5.2068 -5.4069 PRESSURE: 1993000 -66.2506 37.4308 -46.055 37.4326 73.5801 79.7858 -46.0563 79.7852 263.486 GPRESSURE: 1993000 41.6217 -26.422 36.5855 146.388 37.8965 66.4218 -113.635 139.836 297.04 PRESSAVG: 1993000 9.82823 16.9761 7.09639 16.9762 -57.7616 20.6371 7.09637 20.6372 43.642 GPRESSAVG: 1993000 11.7558 22.5909 5.67689 13.7709 -59.2985 20.4201 9.65702 20.2059 43.868 TIMING: 1993000 CPU: 6009.29, 0.00298804/step Wall: 6009.29, 0.00298804/step, 2.49584 hours remaining, 208.597656 MB of memory in use. ENERGY: 1993000 717.8330 2159.7727 1930.8019 110.3888 -206547.5895 17855.3127 0.0000 0.0000 34104.3985 -149669.0818 297.8422 -183773.4804 -149575.9821 297.9900 90.2719 125.5194 556196.2515 -1.4304 -1.2249 PRESSURE: 1993200 77.7248 -105.405 39.8869 -105.404 -233.695 -174.586 39.8862 -174.586 44.3733 GPRESSURE: 1993200 86.5008 -156.458 95.9779 -83.3136 -174.246 -281.368 41.6097 -131.939 67.2586 PRESSAVG: 1993200 3.16798 18.579 24.4409 18.5791 11.8317 7.44778 24.4409 7.44772 -23.0113 GPRESSAVG: 1993200 1.05633 14.2851 26.3893 19.6695 13.2358 7.42421 22.2271 8.71591 -22.2932 TIMING: 1993200 CPU: 6009.89, 0.00299813/step Wall: 6009.89, 0.00299813/step, 2.5041 hours remaining, 208.597656 MB of memory in use. ENERGY: 1993200 775.1341 2119.5031 1907.5402 131.2136 -206521.6005 17849.5217 0.0000 0.0000 34172.7790 -149565.9087 298.4394 -183738.6877 -149479.5507 298.0863 -37.1990 -6.8290 557632.6884 -2.6705 -2.6670 PRESSURE: 1993400 -412.476 43.0304 10.7302 43.0296 -369.832 -2.73679 10.7307 -2.73739 -52.4888 GPRESSURE: 1993400 -398.173 44.7894 -26.6574 108.742 -329.44 52.811 -11.6188 -67.4202 -10.7192 PRESSAVG: 1993400 1.36033 65.2493 -19.7297 65.2492 -14.18 -59.474 -19.7296 -59.4742 10.8074 GPRESSAVG: 1993400 2.31766 66.5133 -22.837 66.8096 -15.6287 -57.6201 -17.7216 -62.4022 10.6071 TIMING: 1993400 CPU: 6010.48, 0.00297441/step Wall: 6010.48, 0.00297441/step, 2.48413 hours remaining, 208.597656 MB of memory in use. ENERGY: 1993400 800.2905 2089.7473 1945.2008 113.3886 -206176.0637 17485.6355 0.0000 0.0000 34138.2397 -149603.5612 298.1377 -183741.8009 -149502.8250 299.1963 -278.2654 -246.1108 557562.4307 -0.6707 -0.9013 PRESSURE: 1993600 -316.451 -107.695 10.6412 -107.695 -361.244 -2.84301 10.6404 -2.84289 -339.994 GPRESSURE: 1993600 -236.805 -102.13 57.8072 -70.6197 -325.785 -64.9359 -39.8986 55.6096 -355.564 PRESSAVG: 1993600 16.8754 -25.2277 1.01615 -25.2276 24.4425 -2.42984 1.01622 -2.42974 -43.1092 GPRESSAVG: 1993600 15.6072 -24.8662 3.58139 -25.478 25.6299 -1.92501 -0.796835 -0.787471 -42.9642 TIMING: 1993600 CPU: 6011.08, 0.00297344/step Wall: 6011.08, 0.00297344/step, 2.48315 hours remaining, 208.597656 MB of memory in use. ENERGY: 1993600 791.0499 2090.7974 1966.3590 105.7294 -205931.2120 17332.1325 0.0000 0.0000 34334.8933 -149310.2505 299.8552 -183645.1438 -149219.6392 298.9702 -339.2296 -306.0514 558197.8574 -0.5971 -0.5757 PRESSURE: 1993800 63.7308 -33.9422 -126.405 -33.9413 -54.1118 96.7429 -126.404 96.7428 28.6079 GPRESSURE: 1993800 80.8986 -29.0023 -130.618 -58.7191 -74.7464 -5.13491 -47.9131 101.476 123.208 PRESSAVG: 1993800 -11.0867 -36.5102 -9.5591 -36.5102 34.7795 -38.3403 -9.55906 -38.3403 -32.3821 GPRESSAVG: 1993800 -10.0898 -36.5991 -7.90998 -37.9365 34.5908 -40.9508 -10.438 -36.026 -33.3894 TIMING: 1993800 CPU: 6011.68, 0.00298716/step Wall: 6011.68, 0.00298716/step, 2.49444 hours remaining, 208.597656 MB of memory in use. ENERGY: 1993800 769.3735 2079.1037 1966.6641 107.8947 -206523.6990 17767.9986 0.0000 0.0000 34439.1816 -149393.4827 300.7659 -183832.6643 -149295.0380 299.8401 12.7423 43.1199 555662.1057 -2.8965 -2.9628 PRESSURE: 1994000 2.75358 -226.462 -96.0093 -226.461 56.2655 -38.0747 -96.0076 -38.0743 -44.2242 GPRESSURE: 1994000 -11.0155 -285.028 -79.8502 -248.025 126.288 -66.8726 -149.521 10.0868 -6.70155 PRESSAVG: 1994000 -88.8488 -20.3482 4.29481 -20.3482 53.1042 -15.9153 4.29484 -15.9151 -26.1171 GPRESSAVG: 1994000 -89.0752 -20.0167 0.612833 -19.7899 52.6363 -14.3463 4.58 -17.5269 -25.3572 TIMING: 1994000 CPU: 6012.28, 0.00300999/step Wall: 6012.28, 0.00300999/step, 2.51334 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: 1994000 716.3895 2179.3471 1956.5896 106.2246 -206400.4449 17703.9685 0.0000 0.0000 34443.8102 -149294.1154 300.8064 -183737.9257 -149202.2342 299.5418 4.9316 36.1902 555618.1970 -20.6206 -20.5987 PRESSURE: 1994200 -203.104 -16.8101 131.217 -16.8095 61.503 116.675 131.217 116.676 -155.939 GPRESSURE: 1994200 -192.943 -69.8053 63.6611 32.2505 94.5604 103.989 152 177.44 -105.405 PRESSAVG: 1994200 -29.9026 -61.8185 26.1959 -61.8186 93.8139 37.2231 26.1959 37.2231 0.119157 GPRESSAVG: 1994200 -31.3025 -61.6704 29.0513 -63.6554 94.8579 36.853 26.893 37.3712 0.214093 TIMING: 1994200 CPU: 6012.89, 0.00304939/step Wall: 6012.89, 0.00304939/step, 2.54607 hours remaining, 208.597656 MB of memory in use. ENERGY: 1994200 753.3656 2183.6359 1924.5821 109.3021 -206178.4814 17640.6235 0.0000 0.0000 34250.2215 -149316.7507 299.1157 -183566.9722 -149217.8765 299.6269 -99.1801 -67.9292 558189.0470 21.3435 21.2565 PRESSURE: 1994400 19.595 -65.088 26.4526 -65.0884 -378.003 -133.796 26.453 -133.795 -45.912 GPRESSURE: 1994400 37.3768 -67.514 -4.05093 -34.261 -308.934 -133.003 20.2075 -63.9206 -52.7014 PRESSAVG: 1994400 47.2708 -27.592 50.5778 -27.592 21.841 -31.4665 50.5778 -31.4664 -32.2458 GPRESSAVG: 1994400 47.3545 -27.7314 48.0146 -27.7963 21.203 -31.4637 51.5245 -30.6801 -31.9648 TIMING: 1994400 CPU: 6013.49, 0.00303244/step Wall: 6013.49, 0.00303244/step, 2.53175 hours remaining, 208.597656 MB of memory in use. ENERGY: 1994400 750.7735 2082.5469 1952.2869 116.7789 -206211.9815 17663.5360 0.0000 0.0000 34174.5122 -149471.5472 298.4545 -183646.0593 -149379.7252 298.6401 -134.7733 -108.0861 557883.6991 12.2887 12.1976 PRESSURE: 1994600 -14.4456 -15.2192 63.4966 -15.218 116.112 -30.1336 63.497 -30.1346 60.015 GPRESSURE: 1994600 4.35277 40.3883 68.4262 -4.46033 133.727 -2.87737 65.217 -3.07972 119.628 PRESSAVG: 1994600 8.3907 -52.211 81.1888 -52.2109 50.0036 9.02746 81.1888 9.0274 -37.0323 GPRESSAVG: 1994600 8.70197 -52.6617 82.5044 -49.8641 50.0068 6.66201 80.957 7.90171 -37.2645 TIMING: 1994600 CPU: 6014.09, 0.00298891/step Wall: 6014.09, 0.00298891/step, 2.49524 hours remaining, 208.597656 MB of memory in use. ENERGY: 1994600 724.8247 2090.3411 1931.4972 126.0356 -206294.4517 17889.0747 0.0000 0.0000 34231.0552 -149301.6232 298.9483 -183532.6784 -149199.4143 299.1460 53.8937 85.9026 557370.1524 7.1207 7.1481 PRESSURE: 1994800 102.189 -93.564 107.487 -93.5642 10.503 -63.6363 107.487 -63.637 -35.3243 GPRESSURE: 1994800 125.926 -124.654 42.6271 -101.773 73.2161 -36.4174 172.219 27.4083 -23.9073 PRESSAVG: 1994800 -25.6688 -31.4233 16.2677 -31.4233 10.5303 -27.8557 16.2676 -27.8557 39.2736 GPRESSAVG: 1994800 -25.8353 -32.5102 17.4859 -30.8779 9.82394 -24.1914 15.7125 -27.9791 40.1075 TIMING: 1994800 CPU: 6014.69, 0.00299976/step Wall: 6014.69, 0.00299976/step, 2.50413 hours remaining, 208.597656 MB of memory in use. ENERGY: 1994800 717.1346 2148.4378 1927.8684 119.3177 -205855.7592 17719.7604 0.0000 0.0000 34038.2167 -149185.0236 297.2642 -183223.2404 -149087.0414 298.9313 25.7891 58.4117 557138.1020 8.0450 8.0320 PRESSURE: 1995000 108.612 39.2672 -99.6102 39.2676 -118.665 -3.75427 -99.6101 -3.7537 106.677 GPRESSURE: 1995000 167.129 64.5435 -99.0545 15.2365 -61.686 -45.9372 -132.75 24.1146 75.656 PRESSAVG: 1995000 11.0028 -19.2653 2.40673 -19.2653 -18.2413 -12.9152 2.40674 -12.9152 10.7121 GPRESSAVG: 1995000 10.9744 -18.5775 1.86233 -20.4375 -17.0306 -14.0057 1.16565 -11.7529 9.67615 TIMING: 1995000 CPU: 6015.3, 0.00302361/step Wall: 6015.3, 0.0030236/step, 2.52387 hours remaining, 208.597656 MB of memory in use. ENERGY: 1995000 766.5302 2056.7267 1948.5145 107.2232 -206014.3662 17729.6192 0.0000 0.0000 34442.5794 -148963.1729 300.7956 -183405.7524 -148860.9006 299.8746 32.2081 60.3662 555830.7701 1.1579 1.2067 PRESSURE: 1995200 35.4589 83.7031 249.147 83.703 -172.404 -126.671 249.148 -126.671 1.84836 GPRESSURE: 1995200 68.2239 86.5215 352.095 75.8112 -142.242 -149.114 187.895 -103.886 36.5001 PRESSAVG: 1995200 37.2486 -20.6945 59.3612 -20.6946 -0.7517 -46.4431 59.3612 -46.4431 -60.407 GPRESSAVG: 1995200 36.2396 -21.6456 58.0361 -18.9145 -0.0239082 -46.9847 61.1191 -48.4185 -59.5794 TIMING: 1995200 CPU: 6015.9, 0.00303587/step Wall: 6015.9, 0.00303587/step, 2.53394 hours remaining, 208.597656 MB of memory in use. ENERGY: 1995200 753.6220 2186.2074 1941.5396 113.6964 -205923.5343 17447.5704 0.0000 0.0000 34385.8743 -149095.0242 300.3004 -183480.8985 -148996.3335 300.6155 -45.0324 -12.5059 554332.9500 -7.9700 -7.7879 PRESSURE: 1995400 46.0928 89.2377 44.046 89.2379 175.158 4.94544 44.0458 4.94594 51.7874 GPRESSURE: 1995400 79.1552 52.8574 125.227 144.078 191.572 34.5781 -43.2441 -13.4182 94.696 PRESSAVG: 1995400 26.6237 27.5012 94.9408 27.5011 59.1722 -0.728541 94.9409 -0.72857 -69.9842 GPRESSAVG: 1995400 26.6734 30.974 94.7757 25.298 59.1332 -0.0364422 94.4649 0.36157 -69.4111 TIMING: 1995400 CPU: 6016.51, 0.00302084/step Wall: 6016.51, 0.00302084/step, 2.52122 hours remaining, 208.597656 MB of memory in use. ENERGY: 1995400 732.9627 2109.6208 1904.8877 106.5087 -206302.2941 17841.4694 0.0000 0.0000 34222.3316 -149384.5131 298.8721 -183606.8447 -149281.3114 299.2957 91.0128 121.8079 555694.3328 5.2706 5.4652 PRESSURE: 1995600 -173.148 -19.6564 174.032 -19.6568 15.3194 -7.54164 174.033 -7.5401 201.53 GPRESSURE: 1995600 -142.974 -59.6255 105.901 104.682 110.243 -22.5653 190.439 42.0475 160.616 PRESSAVG: 1995600 -46.3042 2.52209 38.0123 2.52206 46.3112 12.8532 38.0123 12.8531 -17.2017 GPRESSAVG: 1995600 -47.0803 1.71483 39.7776 2.9646 46.3128 13.3757 34.6417 12.4097 -16.4165 TIMING: 1995600 CPU: 6017.11, 0.00301288/step Wall: 6017.11, 0.00301288/step, 2.51442 hours remaining, 208.597656 MB of memory in use. ENERGY: 1995600 758.9864 2115.3117 1894.3907 114.3754 -206373.3934 17883.7610 0.0000 0.0000 34142.2809 -149464.2873 298.1730 -183606.5682 -149363.6205 298.6810 14.5672 42.6284 557397.8451 -5.7316 -5.7280 PRESSURE: 1995800 87.8639 226.878 160.948 226.877 63.1029 109.82 160.948 109.82 -139.576 GPRESSURE: 1995800 94.4019 203.261 183.993 265.304 140.821 151.233 69.8023 20.4092 -126.068 PRESSAVG: 1995800 21.0361 32.8201 24.6556 32.82 12.0589 -27.2733 24.6557 -27.2734 -25.279 GPRESSAVG: 1995800 23.8046 31.349 22.967 33.6927 10.7108 -27.0159 27.9006 -27.9524 -27.1032 TIMING: 1995800 CPU: 6017.72, 0.00302807/step Wall: 6017.72, 0.00302807/step, 2.52693 hours remaining, 208.597656 MB of memory in use. ENERGY: 1995800 764.6513 2101.5773 1906.9605 128.4762 -206365.1299 17827.9507 0.0000 0.0000 34007.9436 -149627.5705 296.9998 -183635.5141 -149536.9922 298.5838 3.7970 36.3850 556465.3427 2.6053 2.4707 PRESSURE: 1996000 257.489 -126.952 78.7695 -126.95 31.2315 34.1735 78.7701 34.1741 -69.9268 GPRESSURE: 1996000 244.991 -98.9106 72.2208 -164.255 80.7669 15.1946 123.591 32.4733 -9.68808 PRESSAVG: 1996000 11.0649 55.2849 21.6742 55.2849 -23.6125 11.9059 21.6742 11.9059 -58.4287 GPRESSAVG: 1996000 10.4303 55.6556 22.5404 54.4804 -23.1996 12.5354 21.4425 12.5755 -57.9812 TIMING: 1996000 CPU: 6018.32, 0.00301846/step Wall: 6018.32, 0.00301846/step, 2.51874 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: 1996000 714.7269 2070.9536 1894.4708 113.6547 -206250.3793 17790.6661 0.0000 0.0000 34139.1594 -149526.7479 298.1458 -183665.9073 -149431.7898 298.4750 72.9312 105.3565 556049.9893 -23.6588 -23.5835 PRESSURE: 1996200 -299.184 149.009 -26.1634 149.009 94.7129 -22.2874 -26.1641 -22.2866 -118.1 GPRESSURE: 1996200 -246.641 176.378 22.7913 71.896 78.1766 9.185 -71.5211 53.3954 -70.7321 PRESSAVG: 1996200 -14.2254 -22.3941 -42.6378 -22.3942 13.8308 -10.0775 -42.638 -10.0775 27.5172 GPRESSAVG: 1996200 -13.8618 -21.2929 -45.326 -21.9076 13.6143 -10.5719 -40.5469 -11.7663 27.7497 TIMING: 1996200 CPU: 6018.92, 0.00301237/step Wall: 6018.92, 0.00301237/step, 2.51348 hours remaining, 208.597656 MB of memory in use. ENERGY: 1996200 761.2552 2145.7494 1905.2640 122.9755 -205925.1498 17636.9752 0.0000 0.0000 34034.0316 -149318.8987 297.2277 -183352.9303 -149226.1328 299.0426 -107.5237 -79.7321 558909.9859 9.0409 9.1674 LDB: ============= START OF LOAD BALANCING ============== 6022.44 LDB: ============== END OF LOAD BALANCING =============== 6022.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6022.44 LDB: ============= START OF LOAD BALANCING ============== 6022.75 LDB: Largest compute 4800 load 0.029951 is 25.4% of average load 0.118073 LDB: Average compute 0.001724 is 1.5% of average load 0.118073 LDB: TIME 6022.75 LOAD: AVG 0.118073 MAX 0.208284 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.293 MB LDB: TIME 6022.75 LOAD: AVG 0.118073 MAX 0.208284 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.363 MB LDB: TIME 6022.75 LOAD: AVG 0.118073 MAX 0.208284 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.363 MB LDB: ============== END OF LOAD BALANCING =============== 6022.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6022.76 PRESSURE: 1996400 -121.21 -98.8734 74.0773 -98.8737 -178.897 -35.6365 74.0767 -35.6358 -136.541 GPRESSURE: 1996400 -92.1213 38.4893 73.7551 -115.472 -186.477 -47.8061 101.602 -46.891 -66.9967 PRESSAVG: 1996400 -54.0573 -26.0133 -3.51496 -26.0133 39.6965 -18.6113 -3.51488 -18.6113 -0.171578 GPRESSAVG: 1996400 -55.0691 -25.7505 -1.19962 -26.1141 40.0783 -20.6153 -5.11186 -15.8905 1.25366 TIMING: 1996400 CPU: 6019.54, 0.00308673/step Wall: 6019.54, 0.00308673/step, 2.57536 hours remaining, 207.437500 MB of memory in use. ENERGY: 1996400 797.2173 2065.9297 1917.9410 97.7338 -206114.5744 17784.2267 0.0000 0.0000 34302.0853 -149149.4405 299.5686 -183451.5259 -149053.3262 299.2298 -145.5495 -115.1983 558379.9353 -4.8441 -4.5790 PRESSURE: 1996600 79.2036 -167.881 24.9492 -167.881 250.387 -115.951 24.9482 -115.949 -276.303 GPRESSURE: 1996600 146.619 -95.3832 -40.313 -249.325 260.77 -114.613 135.418 -115.813 -261.733 PRESSAVG: 1996600 7.1119 9.33642 15.2721 9.33646 56.5343 -23.2354 15.2721 -23.2354 -4.04751 GPRESSAVG: 1996600 8.2428 10.6443 12.9304 7.31828 56.6959 -21.9353 16.983 -24.106 -4.99142 TIMING: 1996600 CPU: 6020.14, 0.00299734/step Wall: 6020.14, 0.00299734/step, 2.50062 hours remaining, 207.503906 MB of memory in use. ENERGY: 1996600 707.5181 2103.6873 1932.3864 112.1514 -205948.6831 17808.9045 0.0000 0.0000 34102.3724 -149181.6631 297.8245 -183284.0355 -149089.1553 299.4104 17.7626 48.5519 556301.1213 19.8662 19.9824 PRESSURE: 1996800 59.3254 -25.1174 -85.9285 -25.1185 21.4543 -99.8977 -85.9271 -99.8977 261.773 GPRESSURE: 1996800 89.0158 -36.0108 -16.166 -111.567 51.5668 -106.734 -89.3633 -164.805 293.258 PRESSAVG: 1996800 0.498992 5.20525 21.9339 5.20518 46.7148 2.35755 21.9339 2.3576 -17.3291 GPRESSAVG: 1996800 -0.25761 3.03973 23.7584 7.15954 45.7052 1.78333 20.0178 1.38205 -15.5973 TIMING: 1996800 CPU: 6020.75, 0.00303636/step Wall: 6020.75, 0.00303636/step, 2.533 hours remaining, 207.503906 MB of memory in use. ENERGY: 1996800 760.9922 2040.6406 1915.9422 103.1613 -206250.7464 17878.4421 0.0000 0.0000 34479.9701 -149071.5980 301.1222 -183551.5681 -148974.3351 299.4622 114.1844 144.6136 556812.8611 9.9616 9.9501 PRESSURE: 1997000 173.864 -105.822 23.1349 -105.822 -33.7744 -31.162 23.1342 -31.1624 -74.4924 GPRESSURE: 1997000 229.303 -20.0457 88.6594 -65.8865 -5.33968 -6.53131 -31.8302 14.6125 -67.9819 PRESSAVG: 1997000 -5.88917 -8.91246 -0.307968 -8.91247 24.6063 -13.6616 -0.30802 -13.6615 -31.2448 GPRESSAVG: 1997000 -6.13874 -7.1275 -0.633511 -8.9972 25.7772 -13.2811 0.927291 -13.0017 -32.2163 TIMING: 1997000 CPU: 6021.35, 0.00300062/step Wall: 6021.35, 0.00300062/step, 2.50302 hours remaining, 207.503906 MB of memory in use. ENERGY: 1997000 735.6157 2083.5434 1937.9285 118.2772 -206169.0784 17703.4303 0.0000 0.0000 34461.6802 -149128.6031 300.9624 -183590.2833 -149022.9544 299.9980 21.8656 51.9937 558522.9788 -4.1759 -4.1926 PRESSURE: 1997200 -100.896 15.3631 69.486 15.3637 -137.261 149.721 69.4866 149.722 -171.626 GPRESSURE: 1997200 -66.8983 -47.3785 80.0536 100.083 -156.324 175.177 40.8122 153.726 -85.6811 PRESSAVG: 1997200 -34.1483 36.7554 17.6945 36.7555 73.3134 11.6083 17.6945 11.6084 -25.5077 GPRESSAVG: 1997200 -34.3464 35.6267 19.006 37.7452 73.3893 13.6141 16.5226 9.93548 -24.7555 TIMING: 1997200 CPU: 6021.95, 0.00299896/step Wall: 6021.95, 0.00299896/step, 2.50147 hours remaining, 207.503906 MB of memory in use. ENERGY: 1997200 743.9078 2054.0091 1915.1161 113.5269 -205821.7387 17597.4420 0.0000 0.0000 34381.1037 -149016.6330 300.2587 -183397.7367 -148920.4814 299.2401 -136.5944 -102.9679 558679.9386 4.5525 4.7624 PRESSURE: 1997400 126.842 -93.5142 71.8929 -93.5129 -136.43 -52.5243 71.8916 -52.525 50.1555 GPRESSURE: 1997400 148.427 -175.219 94.9337 -26.2305 -172.107 -141.922 4.93742 -48.3028 151.797 PRESSAVG: 1997400 3.0316 18.8925 29.3112 18.8926 -12.8844 3.33818 29.3112 3.33815 31.5059 GPRESSAVG: 1997400 3.33061 18.6695 29.4445 17.9546 -13.2676 1.78264 28.2426 4.61767 30.8221 TIMING: 1997400 CPU: 6022.55, 0.00301335/step Wall: 6022.55, 0.00301335/step, 2.51331 hours remaining, 207.503906 MB of memory in use. ENERGY: 1997400 748.5548 2078.4103 1912.4594 103.9561 -205593.9410 17612.6210 0.0000 0.0000 34303.6438 -148834.2955 299.5823 -183137.9393 -148737.4547 299.8553 13.5223 42.7055 558380.6103 7.2177 6.9617 PRESSURE: 1997600 181.269 -31.9265 73.6533 -31.9275 187.542 -175.861 73.6532 -175.863 -29.3088 GPRESSURE: 1997600 173.028 -82.5088 49.1645 28.1291 231.812 -169.532 19.5707 -70.7127 36.1887 PRESSAVG: 1997600 80.7414 -21.4062 22.7443 -21.4063 26.514 -35.8439 22.7444 -35.8438 -143.141 GPRESSAVG: 1997600 80.3445 -21.4403 21.7173 -21.7162 27.1428 -35.8673 23.6713 -36.0791 -143.102 TIMING: 1997600 CPU: 6023.15, 0.00301002/step Wall: 6023.15, 0.00301002/step, 2.51035 hours remaining, 207.503906 MB of memory in use. ENERGY: 1997600 757.9081 2063.0358 1932.3570 114.8769 -206200.8466 17898.9966 0.0000 0.0000 34301.5266 -149132.1457 299.5638 -183433.6723 -149027.4522 299.8690 113.1674 147.0095 557237.0508 -11.9619 -11.8714 PRESSURE: 1997800 6.81884 38.9485 -223.687 38.9507 76.566 162.027 -223.687 162.027 32.7288 GPRESSURE: 1997800 48.5977 108.083 -161.744 -30.5692 103.005 168.865 -192.869 180.035 54.0548 PRESSAVG: 1997800 43.9144 -9.69912 8.73136 -9.69903 -6.33287 12.3061 8.73127 12.3061 -114.524 GPRESSAVG: 1997800 44.4461 -8.96053 9.38786 -10.2581 -5.35365 10.3929 8.62457 13.6975 -116.193 TIMING: 1997800 CPU: 6023.76, 0.00302698/step Wall: 6023.76, 0.00302698/step, 2.52433 hours remaining, 207.503906 MB of memory in use. ENERGY: 1997800 764.0470 2052.6425 1925.9945 117.6571 -206262.2466 18002.8311 0.0000 0.0000 34217.4304 -149181.6441 298.8293 -183399.0745 -149082.6978 298.7415 38.7046 68.5524 557878.2076 -25.6474 -25.7001 PRESSURE: 1998000 -234.464 43.0749 -141.875 43.0755 110.143 62.7639 -141.873 62.7651 -149.152 GPRESSURE: 1998000 -191.966 49.2619 -146.222 89.8267 102.945 82.7183 -122.162 63.8607 -101.506 PRESSAVG: 1998000 13.9562 -0.0411699 -23.9768 -0.0411826 16.425 64.2076 -23.9767 64.2076 -64.4972 GPRESSAVG: 1998000 13.1747 0.0217525 -24.0911 -0.372427 16.3094 65.7877 -24.1025 63.6953 -63.6885 TIMING: 1998000 CPU: 6024.36, 0.00300233/step Wall: 6024.36, 0.00300233/step, 2.50361 hours remaining, 207.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1998000 740.1227 2078.1413 1923.4169 102.6883 -206115.2575 17805.5404 0.0000 0.0000 34166.1636 -149299.1844 298.3816 -183465.3480 -149208.2908 299.0617 -91.1577 -63.5090 557400.6247 -11.3720 -11.4015 PRESSURE: 1998200 -147.358 49.7545 -104.711 49.7551 -150.294 120.842 -104.712 120.841 71.592 GPRESSURE: 1998200 -114.566 190.839 -100.66 52.7998 -96.638 149.403 -154.627 43.5216 105.453 PRESSAVG: 1998200 15.7263 4.09645 -17.1499 4.09641 29.5074 52.283 -17.1498 52.283 8.93132 GPRESSAVG: 1998200 16.5789 4.87798 -14.9639 5.41044 27.9394 53.8587 -18.9124 50.4408 9.49616 TIMING: 1998200 CPU: 6024.96, 0.00302168/step Wall: 6024.96, 0.00302168/step, 2.51958 hours remaining, 207.503906 MB of memory in use. ENERGY: 1998200 751.0072 2056.7336 1927.3711 110.7827 -205905.4952 17554.8290 0.0000 0.0000 34345.9901 -149158.7816 299.9521 -183504.7717 -149054.7374 299.1816 -75.3533 -35.2505 556144.4984 18.0550 18.0048 PRESSURE: 1998400 -81.883 7.11089 -145.071 7.10881 -88.9364 -31.1268 -145.072 -31.1268 -137.058 GPRESSURE: 1998400 -48.9516 4.59687 -144.679 19.9182 -7.8727 -2.53612 -142.18 -77.2736 -153.479 PRESSAVG: 1998400 6.43277 10.0644 33.8389 10.0644 23.8512 54.3848 33.839 54.3847 -19.7305 GPRESSAVG: 1998400 6.33278 9.5898 30.8532 10.0147 25.2724 53.9278 34.641 55.0234 -21.1863 TIMING: 1998400 CPU: 6025.57, 0.00302826/step Wall: 6025.57, 0.00302826/step, 2.5249 hours remaining, 207.503906 MB of memory in use. ENERGY: 1998400 712.2321 2054.8299 1931.1344 113.3902 -206168.8880 17741.2943 0.0000 0.0000 34366.0954 -149249.9118 300.1277 -183616.0072 -149152.1133 299.4778 -102.6257 -70.1011 557588.0067 3.5178 3.4730 PRESSURE: 1998600 10.4838 1.67848 80.3502 1.67884 205.43 -57.8423 80.3492 -57.8408 -61.3156 GPRESSURE: 1998600 58.9686 -17.6486 39.1355 44.3515 176.23 -125.256 111.815 -12.2616 6.63779 PRESSAVG: 1998600 8.79926 2.05218 -1.99221 2.05219 -61.5224 -14.7813 -1.99211 -14.7812 45.4712 GPRESSAVG: 1998600 9.13314 1.58506 -2.20045 1.84407 -60.751 -15.3133 -2.13801 -13.6387 44.8704 TIMING: 1998600 CPU: 6026.17, 0.00299684/step Wall: 6026.17, 0.00299684/step, 2.49854 hours remaining, 207.503906 MB of memory in use. ENERGY: 1998600 766.7419 2100.9346 1914.7518 116.7194 -206576.3320 18029.0120 0.0000 0.0000 34438.4258 -149209.7464 300.7593 -183648.1723 -149118.7111 299.4195 51.5327 80.6120 557660.7684 -2.4173 -2.2492 PRESSURE: 1998800 -280.162 -79.7106 -47.159 -79.7099 51.146 65.3556 -47.1593 65.3554 -134.323 GPRESSURE: 1998800 -215.208 -139.757 -4.24 -78.8405 57.3015 48.7738 23.7044 104.442 -99.9378 PRESSAVG: 1998800 -46.7926 -18.063 60.2909 -18.0631 18.0627 -2.50878 60.291 -2.50878 -28.5033 GPRESSAVG: 1998800 -46.7908 -18.8029 59.6761 -17.8412 17.077 -1.57078 62.1695 -2.94845 -27.4775 TIMING: 1998800 CPU: 6026.77, 0.00301648/step Wall: 6026.77, 0.00301648/step, 2.51474 hours remaining, 207.503906 MB of memory in use. ENERGY: 1998800 758.8972 2047.4356 1940.4853 103.0510 -206186.4559 17825.6563 0.0000 0.0000 34272.9797 -149237.9506 299.3145 -183510.9303 -149139.1296 299.0664 -121.1128 -85.9482 556619.9548 -19.0777 -19.0637 PRESSURE: 1999000 -275.87 105.204 -37.6652 105.204 -36.6465 -50.4576 -37.666 -50.4577 -34.6512 GPRESSURE: 1999000 -259.529 77.5061 -98.0659 142.512 2.7835 -55.9647 -17.9833 -61.443 12.0748 PRESSAVG: 1999000 3.19453 8.80028 43.2182 8.80027 9.46651 41.4931 43.2183 41.4932 1.70439 GPRESSAVG: 1999000 2.59713 8.97584 43.8861 8.7602 9.06857 39.0881 40.8561 42.6241 2.77461 TIMING: 1999000 CPU: 6027.37, 0.00301714/step Wall: 6027.37, 0.00301714/step, 2.51512 hours remaining, 207.503906 MB of memory in use. ENERGY: 1999000 744.5412 2148.0341 1917.2516 120.5437 -206202.8337 17771.4829 0.0000 0.0000 34442.8765 -149058.1037 300.7982 -183500.9802 -148960.5422 299.5933 -115.7225 -81.5569 557443.0083 4.7885 4.8134 PRESSURE: 1999200 54.2842 -65.0389 -155.487 -65.0379 119.746 148.715 -155.486 148.715 219.628 GPRESSURE: 1999200 105.258 -47.5499 -143.647 -129.273 163.179 217.75 -241.705 85.7133 228.596 PRESSAVG: 1999200 -22.0585 9.67406 -12.037 9.67399 10.7924 51.9122 -12.037 51.9123 17.8558 GPRESSAVG: 1999200 -21.7687 7.83641 -13.5658 9.22811 12.0741 54.4854 -9.02842 47.7819 16.3759 TIMING: 1999200 CPU: 6027.98, 0.00302725/step Wall: 6027.98, 0.00302725/step, 2.52338 hours remaining, 207.503906 MB of memory in use. ENERGY: 1999200 766.0953 2084.0566 1914.0360 107.8847 -206421.4238 18093.2862 0.0000 0.0000 34382.6645 -149073.4004 300.2724 -183456.0649 -148978.4009 299.9239 131.2195 165.6774 556898.7273 2.1966 2.2271 PRESSURE: 1999400 39.8523 -60.4241 -209.832 -60.4243 197.632 -72.5938 -209.831 -72.5927 234.63 GPRESSURE: 1999400 112.684 -52.9265 -104.823 -45.9443 267.049 37.0136 -269.521 -79.9216 178.752 PRESSAVG: 1999400 0.959931 -37.2382 -22.3452 -37.2381 -12.9815 -10.0734 -22.3452 -10.0733 7.19225 GPRESSAVG: 1999400 1.13192 -36.7749 -19.8525 -34.5437 -13.4886 -8.93068 -21.7491 -7.2202 7.47813 TIMING: 1999400 CPU: 6028.58, 0.00302582/step Wall: 6028.58, 0.00302582/step, 2.52202 hours remaining, 207.503906 MB of memory in use. ENERGY: 1999400 746.6939 2132.4714 1954.1426 101.2489 -206239.3281 17784.4834 0.0000 0.0000 34247.3329 -149272.9551 299.0905 -183520.2880 -149176.9415 299.1705 157.3715 186.1618 557139.3187 -1.6098 -1.6262 PRESSURE: 1999600 42.0247 191.685 -128.915 191.687 150.672 -19.7151 -128.917 -19.7149 308.498 GPRESSURE: 1999600 89.1434 302.538 -138.799 70.3879 182.555 1.58327 -129.393 -10.8754 327.467 PRESSAVG: 1999600 -9.8817 43.6359 -9.28586 43.6359 37.9167 -41.6102 -9.28582 -41.6102 -16.6469 GPRESSAVG: 1999600 -11.2961 43.3479 -9.0182 40.8733 38.2855 -42.9064 -13.2233 -42.4757 -15.8201 TIMING: 1999600 CPU: 6029.19, 0.00301627/step Wall: 6029.19, 0.00301627/step, 2.51389 hours remaining, 207.503906 MB of memory in use. ENERGY: 1999600 742.1434 2154.9189 1894.5878 111.6520 -206357.2858 18134.4214 0.0000 0.0000 34149.9955 -149169.5669 298.2404 -183319.5624 -149076.8261 299.6527 167.0647 199.7220 557211.7973 3.7960 3.7231 PRESSURE: 1999800 -316.921 -165.237 -9.48614 -165.237 -126.293 -35.1705 -9.48585 -35.1702 -77.6459 GPRESSURE: 1999800 -274.562 -70.6548 -36.4332 -181.872 -82.2124 27.274 14.2434 -31.3424 -59.3354 PRESSAVG: 1999800 10.5912 -3.02062 -59.5933 -3.02058 45.2857 -9.29298 -59.5933 -9.293 6.98859 GPRESSAVG: 1999800 10.8933 -1.13976 -59.096 -3.10217 45.2016 -8.54027 -58.1701 -8.8496 6.72737 TIMING: 1999800 CPU: 6029.79, 0.00300874/step Wall: 6029.79, 0.00300874/step, 2.50745 hours remaining, 207.503906 MB of memory in use. ENERGY: 1999800 744.0433 2120.3388 1933.5989 112.6577 -205973.2842 17472.2723 0.0000 0.0000 34483.0432 -149107.3299 301.1490 -183590.3730 -149009.9369 299.7680 -173.6202 -138.7032 557751.7103 20.9551 20.9408 PRESSURE: 2000000 335.338 106.296 -57.3353 106.297 238.425 69.7201 -57.3355 69.7188 -162.401 GPRESSURE: 2000000 345.766 109.433 -111.405 142.551 276.407 142.387 -24.0268 36.0027 -119.534 PRESSAVG: 2000000 12.9254 42.8906 -36.5056 42.8905 19.2158 -6.85226 -36.5056 -6.85225 -11.0294 GPRESSAVG: 2000000 12.0155 40.5718 -38.4694 45.9044 19.2597 -6.85785 -34.7176 -5.74503 -10.5328 TIMING: 2000000 CPU: 6030.39, 0.00300542/step Wall: 6030.39, 0.00300542/step, 2.50451 hours remaining, 207.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2000000 686.5583 2152.2545 1925.7702 109.7464 -206376.3620 17876.1543 0.0000 0.0000 34437.3380 -149188.5404 300.7498 -183625.8784 -149087.6750 300.3235 137.1209 167.5463 557907.9625 7.0373 6.9141 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2000000 WRITING COORDINATES TO DCD FILE MD.3.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 -43.7192 41.2604 115.842 41.2618 110.387 82.0123 115.843 82.013 140.275 GPRESSURE: 2000200 19.8596 1.06268 139.297 67.0409 101.412 179.7 135.434 -36.4337 177.566 PRESSAVG: 2000200 -11.6322 -24.5688 -5.12187 -24.5687 -38.3206 -28.2889 -5.12185 -28.289 14.4566 GPRESSAVG: 2000200 -10.7134 -23.6377 -3.68247 -27.3231 -38.9124 -29.6893 -9.62949 -28.4036 13.7892 TIMING: 2000200 CPU: 6031.01, 0.0030772/step Wall: 6031.01, 0.0030772/step, 2.56416 hours remaining, 207.503906 MB of memory in use. ENERGY: 2000200 707.3207 2123.5923 1916.1171 117.9285 -206332.9950 17906.5435 0.0000 0.0000 34305.9092 -149255.5836 299.6020 -183561.4929 -149163.2851 299.9138 68.9808 99.6127 559023.2198 -11.8321 -11.9455 LDB: ============= START OF LOAD BALANCING ============== 6034.52 LDB: ============== END OF LOAD BALANCING =============== 6034.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6034.52 LDB: ============= START OF LOAD BALANCING ============== 6034.83 LDB: Largest compute 4772 load 0.030344 is 25.7% of average load 0.118041 LDB: Average compute 0.001725 is 1.5% of average load 0.118041 LDB: TIME 6034.83 LOAD: AVG 0.118041 MAX 0.20805 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 6034.83 LOAD: AVG 0.118041 MAX 0.20805 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: TIME 6034.83 LOAD: AVG 0.118041 MAX 0.20805 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: ============== END OF LOAD BALANCING =============== 6034.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6034.84 PRESSURE: 2000400 -141.46 -84.346 -19.7331 -84.3455 -65.1997 -19.5687 -19.7347 -19.5698 -121.416 GPRESSURE: 2000400 -159.939 -2.89648 17.5432 -161.657 -0.37782 -67.2238 -103.192 -15.1743 -76.7506 PRESSAVG: 2000400 -2.42776 -15.0661 22.8584 -15.0661 -22.0837 6.46933 22.8584 6.46937 49.8365 GPRESSAVG: 2000400 -4.1463 -12.2312 21.3916 -14.4839 -21.869 4.63695 27.2701 7.81316 50.6239 TIMING: 2000400 CPU: 6031.62, 0.00307185/step Wall: 6031.62, 0.00307185/step, 2.55953 hours remaining, 208.785156 MB of memory in use. ENERGY: 2000400 740.1787 2109.5443 1910.0300 115.8274 -205954.8437 17542.6213 0.0000 0.0000 34200.3513 -149336.2905 298.6802 -183536.6419 -149238.8443 299.6062 -109.3586 -79.0226 557314.7369 8.4417 8.2029 PRESSURE: 2000600 -120.539 127.725 -30.4318 127.724 12.035 -193.174 -30.4332 -193.173 143.786 GPRESSURE: 2000600 -94.3487 102.893 -28.8633 200.877 70.7141 -95.2928 -85.6324 -159.483 151.427 PRESSAVG: 2000600 16.9629 -1.68616 -51.4867 -1.68619 5.58343 -30.1867 -51.4867 -30.1867 17.5402 GPRESSAVG: 2000600 17.8054 -2.95259 -51.4151 -3.02601 5.32017 -28.3138 -52.9767 -29.9334 17.0623 TIMING: 2000600 CPU: 6032.22, 0.00300551/step Wall: 6032.22, 0.00300551/step, 2.50409 hours remaining, 209.042969 MB of memory in use. ENERGY: 2000600 771.1385 2107.1997 1948.0633 118.9758 -206701.6006 17986.3168 0.0000 0.0000 34319.2260 -149450.6806 299.7183 -183769.9065 -149357.1963 299.6579 11.7608 42.5973 557468.4053 13.3622 13.3960 PRESSURE: 2000800 -109.719 23.5997 55.5253 23.599 -180.837 -98.3839 55.5235 -98.3827 188.137 GPRESSURE: 2000800 -112.988 41.5448 3.63355 0.846291 -136.633 -89.0838 30.1527 -46.6481 249.781 PRESSAVG: 2000800 -57.4038 43.0106 61.9244 43.0105 -22.7555 37.1284 61.9244 37.1283 51.012 GPRESSAVG: 2000800 -57.6624 40.5107 65.0203 44.1073 -22.0463 37.4449 58.8902 36.1689 50.4358 TIMING: 2000800 CPU: 6032.82, 0.00299876/step Wall: 6032.82, 0.00299876/step, 2.4983 hours remaining, 209.042969 MB of memory in use. ENERGY: 2000800 728.4752 2106.7286 1930.8632 115.1896 -206594.4492 18002.0664 0.0000 0.0000 34309.2335 -149401.8928 299.6311 -183711.1262 -149308.5231 299.2777 -34.1399 0.0532 558560.9643 -9.7158 -9.7576 PRESSURE: 2001000 -68.4615 67.6001 -99.2938 67.5977 41.2271 -191.075 -99.2941 -191.076 162.714 GPRESSURE: 2001000 28.0143 42.7492 -81.3547 70.4618 65.662 -216.038 -108.029 -241.165 137.054 PRESSAVG: 2001000 -21.2954 34.8672 11.3152 34.8672 16.5776 -14.6846 11.3151 -14.6846 22.5306 GPRESSAVG: 2001000 -21.3732 36.5389 7.64886 34.9331 14.5679 -14.9147 15.615 -14.2507 24.4684 TIMING: 2001000 CPU: 6033.43, 0.00303501/step Wall: 6033.43, 0.00303501/step, 2.52833 hours remaining, 209.042969 MB of memory in use. ENERGY: 2001000 786.3657 2108.4299 1945.0804 117.5657 -206454.7335 17922.8848 0.0000 0.0000 34347.4115 -149226.9955 299.9645 -183574.4070 -149136.9794 299.4988 45.1597 76.9101 557021.9301 5.9376 5.8877 PRESSURE: 2001200 286.624 -58.8975 -49.2658 -58.897 73.583 -10.7763 -49.2658 -10.7747 -42.7324 GPRESSURE: 2001200 313.964 -107.256 -38.8174 29.2461 74.8078 -23.0285 -73.8283 -64.1131 18.9806 PRESSAVG: 2001200 88.3931 -14.2514 41.8275 -14.2513 -37.2047 16.5128 41.8275 16.5125 -36.5499 GPRESSAVG: 2001200 88.032 -16.1707 43.1645 -12.1915 -36.2781 15.2711 40.9852 14.0937 -37.177 TIMING: 2001200 CPU: 6034.03, 0.00299716/step Wall: 6034.03, 0.00299716/step, 2.49664 hours remaining, 209.042969 MB of memory in use. ENERGY: 2001200 791.7732 2066.8102 1916.0563 120.0097 -206495.5392 18030.4933 0.0000 0.0000 34325.2214 -149245.1751 299.7707 -183570.3965 -149156.9198 299.9357 105.8250 135.9175 556676.0950 4.8795 4.8590 PRESSURE: 2001400 -39.9662 -116.743 78.239 -116.744 -181.717 -18.6552 78.2396 -18.6562 4.97383 GPRESSURE: 2001400 -19.0615 -67.6676 42.5799 -175.174 -59.373 5.1566 -10.2513 22.3455 -44.437 PRESSAVG: 2001400 -8.22452 -54.0215 43.2344 -54.0215 -72.7895 25.0661 43.2344 25.0658 39.8513 GPRESSAVG: 2001400 -7.68759 -53.4799 43.7299 -55.2401 -71.4159 25.5899 41.2389 26.4219 38.3283 TIMING: 2001400 CPU: 6034.63, 0.0030313/step Wall: 6034.63, 0.0030313/step, 2.52491 hours remaining, 209.042969 MB of memory in use. ENERGY: 2001400 737.4392 2073.1325 1939.6797 105.6078 -206444.0722 17835.0902 0.0000 0.0000 34279.1372 -149473.9853 299.3682 -183753.1226 -149375.0257 298.9901 -72.2363 -40.9572 558666.0806 -13.7209 -13.5917 PRESSURE: 2001600 31.7425 -65.3274 -153.879 -65.3276 -108.879 -16.6966 -153.877 -16.6955 220.913 GPRESSURE: 2001600 135.345 -31.5966 -115.077 -73.3218 -131.47 64.0133 -130.654 -141.967 237.15 PRESSAVG: 2001600 39.608 17.8626 23.2354 17.8626 -48.6588 58.5286 23.2353 58.5287 51.1615 GPRESSAVG: 2001600 39.5723 18.1519 21.3672 17.1075 -49.0835 57.5195 25.3365 59.9491 51.5614 TIMING: 2001600 CPU: 6035.24, 0.00303806/step Wall: 6035.24, 0.00303806/step, 2.53037 hours remaining, 209.210938 MB of memory in use. ENERGY: 2001600 737.7999 2120.5488 1942.8732 101.6344 -206464.5090 18019.0604 0.0000 0.0000 34188.5668 -149354.0255 298.5773 -183542.5923 -149259.3447 298.6879 47.9255 80.3418 558353.5998 14.0369 14.0167 PRESSURE: 2001800 -53.4023 -18.2046 10.1274 -18.206 -209.187 -107.451 10.1274 -107.451 -189.486 GPRESSURE: 2001800 -2.63442 -2.02626 -114.827 -109.556 -162.041 -89.3468 48.3426 -105.163 -189.083 PRESSAVG: 2001800 18.3154 -29.0142 -20.642 -29.0143 53.5125 -6.86214 -20.6421 -6.86218 -62.4677 GPRESSAVG: 2001800 17.9391 -30.5011 -20.7024 -26.0302 53.3328 -6.91922 -22.0128 -5.74683 -62.4771 TIMING: 2001800 CPU: 6035.84, 0.00301472/step Wall: 6035.84, 0.00301472/step, 2.51076 hours remaining, 209.210938 MB of memory in use. ENERGY: 2001800 754.8191 2175.4592 1961.8515 108.2251 -206053.0340 17652.7645 0.0000 0.0000 34193.6641 -149206.2504 298.6218 -183399.9146 -149108.7676 299.1456 -150.6919 -117.9197 558410.9190 3.1201 2.9316 PRESSURE: 2002000 -20.6564 81.7981 106.45 81.7969 268.067 88.4554 106.451 88.4557 -10.3725 GPRESSURE: 2002000 -26.229 86.3993 62.033 32.0165 285.54 72.3107 50.5686 35.9886 67.4012 PRESSAVG: 2002000 24.2987 -2.08377 -0.857587 -2.08375 48.4046 -25.5733 -0.857608 -25.5735 -83.9448 GPRESSAVG: 2002000 24.5982 -2.48111 -0.364761 -2.94753 47.7661 -25.7309 1.47209 -26.351 -82.9209 TIMING: 2002000 CPU: 6036.44, 0.00300098/step Wall: 6036.44, 0.00300098/step, 2.49915 hours remaining, 209.210938 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: 2002000 727.9427 2081.3144 1921.2204 106.0332 -206547.8721 18179.8039 0.0000 0.0000 34415.9980 -149115.5597 300.5635 -183531.5577 -149018.5911 299.8043 79.0126 108.9042 557655.5964 -3.7471 -3.5189 PRESSURE: 2002200 -8.46052 2.74802 108.856 2.7476 -17.343 170.839 108.856 170.839 -192.189 GPRESSURE: 2002200 50.5994 -128.63 145.957 77.8226 24.2869 164.523 74.5055 196.107 -197.709 PRESSAVG: 2002200 56.4875 -25.3576 41.9317 -25.3577 25.5462 2.59061 41.9317 2.59062 4.82419 GPRESSAVG: 2002200 55.049 -26.7507 42.7908 -25.5181 26.1749 3.04221 39.3256 0.180233 4.93165 TIMING: 2002200 CPU: 6037.05, 0.0030214/step Wall: 6037.05, 0.0030214/step, 2.51598 hours remaining, 209.210938 MB of memory in use. ENERGY: 2002200 757.7246 2155.5434 1938.4263 121.6650 -206189.0132 17761.4626 0.0000 0.0000 34303.5354 -149150.6559 299.5813 -183454.1913 -149054.2948 300.3430 -72.6640 -40.9409 557240.8706 28.9526 28.7185 PRESSURE: 2002400 117.698 -89.1696 5.46976 -89.1705 173.722 18.7555 5.47005 18.7557 -7.1657 GPRESSURE: 2002400 195.021 -125.927 29.1562 -87.5263 112.506 -45.5256 3.3432 33.9821 70.4882 PRESSAVG: 2002400 47.2389 -20.2314 51.7339 -20.2313 6.49763 -28.2943 51.7339 -28.2943 -50.1788 GPRESSAVG: 2002400 47.0899 -19.3655 52.1328 -20.193 6.87405 -27.9184 51.6184 -26.8337 -50.0081 TIMING: 2002400 CPU: 6037.65, 0.00301504/step Wall: 6037.65, 0.00301504/step, 2.51052 hours remaining, 209.210938 MB of memory in use. ENERGY: 2002400 721.2430 2069.9311 1940.6096 117.9279 -206069.3900 17740.6770 0.0000 0.0000 34617.1821 -148861.8193 302.3205 -183479.0015 -148754.8788 300.4817 94.7517 126.0053 557303.2611 1.1859 1.3186 PRESSURE: 2002600 6.48018 28.6387 260.534 28.6395 19.4102 -88.44 260.533 -88.4406 -29.9582 GPRESSURE: 2002600 53.8682 0.972549 290.322 -23.2246 73.216 -19.5371 246.175 -118.69 -31.4964 PRESSAVG: 2002600 -19.5286 -24.327 27.0395 -24.3268 43.6121 61.5812 27.0394 61.5812 -45.6751 GPRESSAVG: 2002600 -19.1963 -24.0651 26.5802 -26.3324 44.0485 61.4764 28.2467 61.8412 -46.4165 TIMING: 2002600 CPU: 6038.25, 0.00298818/step Wall: 6038.25, 0.00298818/step, 2.48799 hours remaining, 209.210938 MB of memory in use. ENERGY: 2002600 744.3574 2116.5265 1908.3165 124.2261 -206072.3231 17805.3458 0.0000 0.0000 34369.9185 -149003.6323 300.1610 -183373.5508 -148911.9202 300.8163 -1.3559 31.8626 557422.9972 -7.1972 -7.1881 PRESSURE: 2002800 -129.049 -36.7759 119.967 -36.7767 -222.093 81.3646 119.967 81.3664 -279.098 GPRESSURE: 2002800 -46.3422 -10.4382 61.3805 -29.9214 -208.259 25.1413 60.2595 84.8237 -272.735 PRESSAVG: 2002800 70.611 -6.28311 63.3343 -6.28318 -21.5701 41.6873 63.3343 41.6875 -46.3837 GPRESSAVG: 2002800 71.046 -6.02007 62.1674 -4.72977 -21.9804 42.3583 62.0021 42.4651 -46.4773 TIMING: 2002800 CPU: 6038.85, 0.00302566/step Wall: 6038.85, 0.00302566/step, 2.51903 hours remaining, 209.210938 MB of memory in use. ENERGY: 2002800 740.0891 2050.8478 1935.8752 111.1811 -205692.6866 17446.7381 0.0000 0.0000 34255.6081 -149152.3471 299.1627 -183407.9552 -149059.5292 299.3497 -210.0801 -175.7788 557852.3793 0.8857 0.8628 PRESSURE: 2003000 -1.0292 -23.264 -47.7058 -23.2651 -121.622 -107.187 -47.7062 -107.187 -166.875 GPRESSURE: 2003000 9.58927 -31.8071 -71.6591 -22.3547 -88.0523 -123.855 -57.6968 -55.884 -128.527 PRESSAVG: 2003000 10.3668 4.42537 2.90464 4.42536 6.91377 -1.7868 2.90462 -1.7868 -23.6012 GPRESSAVG: 2003000 10.6315 4.28662 3.69972 3.82174 7.62276 -3.69662 4.44025 -0.250979 -24.5402 TIMING: 2003000 CPU: 6039.46, 0.00304549/step Wall: 6039.46, 0.00304549/step, 2.53537 hours remaining, 209.210938 MB of memory in use. ENERGY: 2003000 762.0445 2083.3517 1944.6813 124.1781 -206213.7347 17682.2000 0.0000 0.0000 34279.2937 -149337.9854 299.3696 -183617.2791 -149241.0646 298.8621 -96.5085 -68.9968 557856.6020 -2.1069 -2.0953 PRESSURE: 2003200 48.2794 -65.0461 -8.36325 -65.0454 87.9066 93.0137 -8.36446 93.0144 -408.535 GPRESSURE: 2003200 46.4578 -171.949 -59.4196 52.6222 116.653 137.463 99.5804 -21.4606 -325.253 PRESSAVG: 2003200 68.3466 15.9564 25.4626 15.9563 24.3011 -18.2989 25.4625 -18.2988 -30.1409 GPRESSAVG: 2003200 67.8154 16.4794 23.6873 16.6792 24.0058 -15.8366 25.9167 -20.6666 -29.5939 TIMING: 2003200 CPU: 6040.07, 0.00303501/step Wall: 6040.07, 0.00303501/step, 2.52647 hours remaining, 209.210938 MB of memory in use. ENERGY: 2003200 790.3093 2141.4526 1900.8127 122.5461 -205767.8204 17624.7975 0.0000 0.0000 34024.1871 -149163.7151 297.1417 -183187.9022 -149066.1227 298.6975 -90.7831 -54.0476 557817.9832 20.8356 20.7424 PRESSURE: 2003400 -46.1494 10.8858 166.877 10.8864 124.808 -83.4154 166.878 -83.415 -271.458 GPRESSURE: 2003400 27.3637 -43.9543 76.9097 71.5683 178.392 -176.237 161.732 -57.1493 -301.534 PRESSAVG: 2003400 81.4874 55.7695 -19.2055 55.7696 -11.4606 -6.06185 -19.2054 -6.06197 -50.3254 GPRESSAVG: 2003400 81.0439 55.2957 -17.8104 55.6476 -11.8518 -6.27909 -19.6705 -7.35736 -49.7304 TIMING: 2003400 CPU: 6040.67, 0.00300327/step Wall: 6040.67, 0.00300327/step, 2.49989 hours remaining, 209.210938 MB of memory in use. ENERGY: 2003400 745.0934 2102.6113 1930.9627 109.9635 -206063.9672 17697.7479 0.0000 0.0000 34323.5765 -149154.0118 299.7563 -183477.5883 -149049.2818 300.0632 -64.2662 -31.9262 556774.9387 6.5672 6.4872 PRESSURE: 2003600 28.1529 124.062 -78.4647 124.061 -220.307 -25.9555 -78.4655 -25.9551 -367.605 GPRESSURE: 2003600 68.2437 197.722 -85.362 89.7447 -185.749 -104.19 -12.3486 -16.1748 -333.069 PRESSAVG: 2003600 18.8694 90.0032 -0.0344465 90.0033 -2.47272 -36.5916 -0.034353 -36.5915 -40.7886 GPRESSAVG: 2003600 20.099 88.5454 0.331047 91.4647 -2.74219 -37.2267 -1.43878 -36.5078 -41.2433 TIMING: 2003600 CPU: 6041.26, 0.00296503/step Wall: 6041.26, 0.00296503/step, 2.4679 hours remaining, 209.210938 MB of memory in use. ENERGY: 2003600 769.2688 2078.1804 1935.1143 111.8886 -205941.5292 17525.0785 0.0000 0.0000 34287.5467 -149234.4519 299.4417 -183521.9986 -149136.1736 299.2153 -186.5864 -150.1912 557821.6534 -8.1306 -7.9622 PRESSURE: 2003800 21.2492 144.128 167.785 144.128 232.566 127.42 167.786 127.421 -16.5748 GPRESSURE: 2003800 46.3626 164.115 206.365 106.202 261.665 111.473 108.726 131.055 22.3858 PRESSAVG: 2003800 68.9441 59.602 -15.2875 59.6021 -102.164 0.78555 -15.2875 0.785435 25.0711 GPRESSAVG: 2003800 68.8456 62.5736 -14.7816 58.1651 -101.464 -0.780739 -17.8097 3.35533 24.9585 TIMING: 2003800 CPU: 6041.86, 0.00300213/step Wall: 6041.86, 0.00300213/step, 2.49861 hours remaining, 209.210938 MB of memory in use. ENERGY: 2003800 768.2173 2131.5422 1896.3216 129.8447 -206332.3768 17904.9752 0.0000 0.0000 34286.6600 -149214.8158 299.4339 -183501.4758 -149112.5894 299.3446 79.0800 110.1379 557949.6764 -2.7162 -2.5535 PRESSURE: 2004000 -78.4146 106.418 -102.139 106.418 -116.591 14.0182 -102.138 14.0191 -414.928 GPRESSURE: 2004000 -40.4147 118.456 -142.441 14.4394 -98.9382 22.2645 -81.2517 -7.4601 -379.42 PRESSAVG: 2004000 -8.88761 -12.5443 18.1481 -12.5444 2.75521 29.3016 18.148 29.3016 36.1232 GPRESSAVG: 2004000 -8.86169 -12.4318 15.8034 -14.2272 3.49794 32.6566 21.3276 27.3312 35.4737 TIMING: 2004000 CPU: 6042.46, 0.00298899/step Wall: 6042.46, 0.00298899/step, 2.48751 hours remaining, 209.210938 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: 2004000 796.9719 2016.6147 1934.5487 117.1823 -206085.1151 17649.9523 0.0000 0.0000 34493.0159 -149076.8293 301.2361 -183569.8452 -148982.5417 299.3492 -203.3110 -172.9244 557291.7369 9.9969 10.0367 PRESSURE: 2004200 -75.3327 -85.9175 88.5768 -85.9175 129.868 -34.7453 88.5752 -34.7453 -77.8401 GPRESSURE: 2004200 -53.5471 -66.6854 95.1105 -61.5142 171.926 -73.4811 109.221 -92.6826 -55.9555 PRESSAVG: 2004200 38.1809 17.8551 -18.8188 17.8551 -0.617191 12.107 -18.8188 12.1072 -31.0361 GPRESSAVG: 2004200 37.5072 17.7443 -17.9585 18.0641 -1.63218 9.0058 -19.2188 13.7645 -29.272 TIMING: 2004200 CPU: 6043.06, 0.00300277/step Wall: 6043.06, 0.00300277/step, 2.49881 hours remaining, 209.210938 MB of memory in use. ENERGY: 2004200 771.5721 2071.6628 1911.6676 116.8773 -205916.4413 17769.1241 0.0000 0.0000 34334.2934 -148941.2440 299.8499 -183275.5374 -148838.2033 300.5408 -7.7682 20.8077 556818.7342 2.1759 2.2010 LDB: ============= START OF LOAD BALANCING ============== 6046.58 LDB: ============== END OF LOAD BALANCING =============== 6046.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6046.58 LDB: ============= START OF LOAD BALANCING ============== 6046.88 LDB: Largest compute 4772 load 0.030136 is 25.5% of average load 0.118030 LDB: Average compute 0.001727 is 1.5% of average load 0.118030 LDB: TIME 6046.88 LOAD: AVG 0.11803 MAX 0.204318 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.52 MB LDB: TIME 6046.88 LOAD: AVG 0.11803 MAX 0.204318 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.52 MB LDB: TIME 6046.88 LOAD: AVG 0.11803 MAX 0.204318 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.52 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6046.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6046.89 PRESSURE: 2004400 59.6952 53.9227 72.0241 53.9234 -107.801 48.4607 72.0236 48.4595 -98.8547 GPRESSURE: 2004400 104.093 63.848 101.064 11.9859 -89.3267 20.805 68.6334 -10.2569 -74.2597 PRESSAVG: 2004400 63.617 -22.7815 77.7273 -22.7816 9.07547 5.35309 77.7273 5.35307 -46.4892 GPRESSAVG: 2004400 64.6003 -23.4151 79.2548 -22.1912 8.90213 5.89758 78.1021 5.66907 -46.8533 TIMING: 2004400 CPU: 6043.67, 0.00303417/step Wall: 6043.67, 0.00303417/step, 2.52477 hours remaining, 208.773438 MB of memory in use. ENERGY: 2004400 757.1389 2067.2507 1921.9711 110.7764 -205908.3680 17790.4950 0.0000 0.0000 34224.7893 -149035.9466 298.8936 -183260.7359 -148937.5599 300.2446 -48.9869 -19.8310 558486.6014 8.7344 8.8830 PRESSURE: 2004600 -46.0998 11.4537 -70.3575 11.4523 -64.6298 28.2441 -70.357 28.2423 -122.045 GPRESSURE: 2004600 -2.04748 58.4683 -162.856 77.4855 -52.9885 -110.603 29.286 150.32 -82.6524 PRESSAVG: 2004600 11.6804 -2.01115 9.80897 -2.01113 -4.20189 -3.4908 9.80891 -3.49081 -53.5661 GPRESSAVG: 2004600 11.613 -3.31932 9.72127 0.472446 -5.3997 -4.53039 8.1776 -1.70529 -52.5397 TIMING: 2004600 CPU: 6044.27, 0.00300786/step Wall: 6044.27, 0.00300786/step, 2.50271 hours remaining, 208.882812 MB of memory in use. ENERGY: 2004600 738.4804 2056.9637 1946.9701 115.2094 -206011.8626 17744.3956 0.0000 0.0000 34435.9693 -148973.8743 300.7379 -183409.8435 -148872.1592 299.9316 -77.5916 -45.8961 559372.5644 -15.3626 -15.4421 PRESSURE: 2004800 111.057 -82.8633 227.807 -82.8651 207.491 139.301 227.807 139.3 325.724 GPRESSURE: 2004800 174.378 -110.507 153.201 -47.9664 253.134 159.073 206.165 80.5952 307.049 PRESSAVG: 2004800 58.0046 10.8746 -15.3693 10.8744 -48.5204 -19.4954 -15.3694 -19.4956 -3.62328 GPRESSAVG: 2004800 57.7575 11.0039 -16.789 8.01915 -47.0457 -18.8434 -14.7806 -23.2653 -4.46702 TIMING: 2004800 CPU: 6044.87, 0.00299006/step Wall: 6044.87, 0.00299006/step, 2.48773 hours remaining, 209.144531 MB of memory in use. ENERGY: 2004800 742.9778 2055.2412 1953.7223 111.9243 -206011.7574 17768.8359 0.0000 0.0000 34428.6386 -148950.4172 300.6739 -183379.0559 -148851.4472 299.9056 214.7570 244.8536 556612.3071 1.9536 2.0816 PRESSURE: 2005000 127.652 -115.071 -35.0693 -115.072 296.638 -127.806 -35.0699 -127.806 101.948 GPRESSURE: 2005000 155.436 -22.1062 44.4147 -189.029 372.106 -101.001 3.89745 -209.155 101.932 PRESSAVG: 2005000 0.637652 6.17866 61.5571 6.17867 -4.89775 11.0121 61.5571 11.0121 20.6038 GPRESSAVG: 2005000 -0.928254 7.8644 60.9568 5.39308 -4.96988 12.489 62.6603 13.6272 22.2236 TIMING: 2005000 CPU: 6045.47, 0.00300503/step Wall: 6045.47, 0.00300503/step, 2.50002 hours remaining, 209.144531 MB of memory in use. ENERGY: 2005000 727.5786 2077.2699 1926.9821 112.6675 -206202.3465 17970.9063 0.0000 0.0000 34419.4778 -148967.4644 300.5939 -183386.9422 -148870.2902 300.2071 175.4129 209.8246 557907.0721 5.4479 5.4418 PRESSURE: 2005200 95.8654 -35.6245 -261.369 -35.6247 50.5572 84.5012 -261.369 84.5007 -280.421 GPRESSURE: 2005200 134.581 17.7793 -372.777 -133.778 14.9486 82.2067 -190.786 4.72722 -192.548 PRESSAVG: 2005200 -114.777 14.8601 -11.8372 14.8602 70.251 -45.1899 -11.8372 -45.1899 60.2168 GPRESSAVG: 2005200 -114.058 14.5965 -10.1645 14.4528 70.6529 -45.2742 -12.5152 -46.9391 59.0927 TIMING: 2005200 CPU: 6046.08, 0.00302826/step Wall: 6046.08, 0.00302826/step, 2.51918 hours remaining, 209.144531 MB of memory in use. ENERGY: 2005200 763.8938 2069.4409 1907.2812 110.7401 -206091.7490 17798.3208 0.0000 0.0000 34395.6265 -149046.4458 300.3856 -183442.0722 -148945.5706 300.4899 -44.6663 -14.3396 558475.5687 5.2304 5.2294 PRESSURE: 2005400 -212.397 -49.9828 2.94875 -49.9817 -191.445 88.9572 2.94917 88.9563 -175.912 GPRESSURE: 2005400 -159.931 -28.4074 -52.531 12.6831 -167.475 43.7112 -63.9027 138.49 -156.597 PRESSAVG: 2005400 41.5609 26.5016 -21.2758 26.5016 -30.5926 23.4743 -21.2757 23.4744 -20.9425 GPRESSAVG: 2005400 41.4912 26.7649 -22.2104 28.0111 -30.4484 22.1812 -22.7935 23.4042 -21.2252 TIMING: 2005400 CPU: 6046.68, 0.00301033/step Wall: 6046.68, 0.00301033/step, 2.50409 hours remaining, 209.144531 MB of memory in use. ENERGY: 2005400 750.6898 2101.5752 1903.0892 118.8925 -205782.6268 17618.9066 0.0000 0.0000 34107.1941 -149182.2793 297.8666 -183289.4734 -149091.5747 299.2529 -193.2517 -161.3342 557946.4432 -3.3247 -3.3941 PRESSURE: 2005600 -304.846 -60.8512 34.339 -60.8512 -150.032 44.4891 34.3385 44.4883 -1.71295 GPRESSURE: 2005600 -188.873 -92.7357 -23.0871 -88.7047 -180.756 39.4876 18.4184 -22.8844 14.2207 PRESSAVG: 2005600 4.50135 54.4917 -37.7053 54.4916 8.04331 32.1278 -37.7053 32.1277 42.4118 GPRESSAVG: 2005600 4.4395 52.7443 -38.295 53.0459 7.67642 34.3389 -37.4567 31.9496 42.5855 TIMING: 2005600 CPU: 6047.28, 0.00299481/step Wall: 6047.28, 0.00299481/step, 2.49101 hours remaining, 209.144531 MB of memory in use. ENERGY: 2005600 767.0786 2052.8900 1918.1657 128.8494 -206051.0959 17655.5420 0.0000 0.0000 34174.3897 -149354.1805 298.4534 -183528.5702 -149256.7741 299.1500 -152.1972 -118.4695 557817.8007 18.3188 18.2338 PRESSURE: 2005800 -133.335 -43.4786 -13.1258 -43.4786 -193.602 -208.631 -13.1246 -208.631 -134.5 GPRESSURE: 2005800 -146.348 -141.684 5.68928 -40.3507 -116.163 -148.121 -67.6461 -199.328 -94.797 PRESSAVG: 2005800 -7.60317 32.0624 -38.931 32.0625 -25.3667 -16.7487 -38.9311 -16.7487 34.8112 GPRESSAVG: 2005800 -8.52332 31.5768 -38.2674 33.6299 -24.32 -18.4353 -37.661 -15.951 35.0512 TIMING: 2005800 CPU: 6047.88, 0.00302797/step Wall: 6047.88, 0.00302797/step, 2.51843 hours remaining, 209.144531 MB of memory in use. ENERGY: 2005800 753.7702 2106.5160 1932.6124 106.3536 -206219.6868 17847.0428 0.0000 0.0000 34192.8112 -149280.5805 298.6143 -183473.3917 -149184.8424 298.8314 -153.8123 -119.1027 559559.4115 0.6138 0.7360 PRESSURE: 2006000 191.727 -59.7683 -32.6624 -59.7663 -2.19527 -229.285 -32.6627 -229.285 217.379 GPRESSURE: 2006000 297.132 -79.7879 7.03701 -53.7201 31.7434 -248.756 -26.3005 -217.458 177.911 PRESSAVG: 2006000 62.3202 12.01 26.8209 12.01 -60.6681 -63.2033 26.8209 -63.2031 8.31732 GPRESSAVG: 2006000 62.9963 13.4741 25.8265 12.1085 -61.3057 -63.6719 27.1978 -63.932 9.01165 TIMING: 2006000 CPU: 6048.48, 0.00301141/step Wall: 6048.48, 0.00301141/step, 2.50449 hours remaining, 209.144531 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: 2006000 724.4741 2123.6501 1916.0170 114.6142 -206595.4278 18068.7523 0.0000 0.0000 34539.5200 -149108.4000 301.6422 -183647.9200 -149018.2204 299.5558 135.6368 168.9290 558207.8032 3.3231 3.5674 PRESSURE: 2006200 -212.372 70.1895 69.1879 70.1906 -372.389 196.714 69.1883 196.714 10.6286 GPRESSURE: 2006200 -162.452 -3.02537 149.388 32.4049 -327.272 120.577 20.2315 215.675 8.89826 PRESSAVG: 2006200 28.9307 27.6599 46.0255 27.6599 -85.7332 -37.5734 46.0255 -37.5735 30.1045 GPRESSAVG: 2006200 28.5348 28.2288 49.1783 26.7754 -84.6339 -36.6887 43.4034 -37.1808 29.5385 TIMING: 2006200 CPU: 6049.09, 0.00301351/step Wall: 6049.09, 0.00301351/step, 2.50607 hours remaining, 209.222656 MB of memory in use. ENERGY: 2006200 726.9954 2084.0386 1911.8059 91.4108 -205843.7150 17567.0766 0.0000 0.0000 34356.9330 -149105.4547 300.0476 -183462.3877 -149013.2241 299.8590 -191.3774 -160.2753 558910.3580 -8.8993 -8.8535 PRESSURE: 2006400 185.049 20.3464 -201.644 20.3465 158.529 135.702 -201.643 135.702 79.3909 GPRESSURE: 2006400 219.164 -5.49045 -239.453 41.3339 196.311 100.657 -130.04 209.771 105.423 PRESSAVG: 2006400 -11.2649 -4.30997 -20.1639 -4.31005 -29.2076 30.9557 -20.1637 30.9559 0.513227 GPRESSAVG: 2006400 -9.47298 -5.17164 -22.506 -4.59695 -29.6613 30.3232 -16.9521 32.7255 -1.03301 TIMING: 2006400 CPU: 6049.69, 0.0030174/step Wall: 6049.69, 0.0030174/step, 2.50914 hours remaining, 209.222656 MB of memory in use. ENERGY: 2006400 788.8713 2091.3657 1934.6430 100.8812 -206469.1524 18064.7245 0.0000 0.0000 34293.9068 -149194.7599 299.4972 -183488.6667 -149100.9986 299.2315 140.9897 173.6327 556283.8002 -13.3197 -13.3891 PRESSURE: 2006600 80.3515 -1.99987 111.64 -2.00014 -61.8869 6.94891 111.639 6.94966 111.362 GPRESSURE: 2006600 115.072 16.8457 13.4157 25.7011 -50.5473 -39.962 26.4405 3.13268 157.798 PRESSAVG: 2006600 10.5631 17.5568 -12.8698 17.5568 14.7923 -6.69295 -12.8697 -6.69298 27.6888 GPRESSAVG: 2006600 10.8243 19.4109 -11.6101 17.9544 14.5737 -5.23555 -13.8366 -7.0584 27.7689 TIMING: 2006600 CPU: 6050.29, 0.00299404/step Wall: 6050.29, 0.00299404/step, 2.48954 hours remaining, 209.222656 MB of memory in use. ENERGY: 2006600 736.3080 2087.6120 1937.4701 111.8138 -205776.0141 17567.6121 0.0000 0.0000 34201.5097 -149133.6884 298.6903 -183335.1981 -149039.5948 299.6620 43.2754 74.1075 557801.8861 17.6814 17.7223 PRESSURE: 2006800 -71.9026 -82.1197 40.2276 -82.1191 -73.9467 -33.3955 40.2268 -33.3946 -166.11 GPRESSURE: 2006800 -51.7752 -121.645 11.4524 -38.261 -57.0743 -68.6326 79.8338 -53.6863 -112.208 PRESSAVG: 2006800 -61.4371 -2.68465 18.5497 -2.68467 -23.747 -25.9756 18.5498 -25.9755 53.3657 GPRESSAVG: 2006800 -62.4338 -3.66 17.0183 -4.65227 -23.4789 -26.3079 19.7284 -27.8579 53.8576 TIMING: 2006800 CPU: 6050.89, 0.00298297/step Wall: 6050.89, 0.00298297/step, 2.48018 hours remaining, 209.222656 MB of memory in use. ENERGY: 2006800 757.5562 2101.9002 1956.1113 106.4397 -205933.0946 17750.4979 0.0000 0.0000 34086.6234 -149173.9658 297.6870 -183260.5892 -149079.5294 299.9498 -103.9865 -73.6858 558394.7447 -10.6061 -10.6850 PRESSURE: 2007000 -1.70283 -72.7723 -30.4557 -72.772 -95.088 -69.6004 -30.4571 -69.6016 -85.7657 GPRESSURE: 2007000 90.0422 -37.8627 27.6069 -64.7669 -95.2178 -23.1375 -8.10247 -148.899 -85.5884 PRESSAVG: 2007000 28.9332 -71.365 5.9243 -71.365 -43.5225 -15.829 5.92423 -15.8291 8.42506 GPRESSAVG: 2007000 28.1037 -72.1946 6.80679 -69.652 -43.2924 -14.2554 6.77063 -15.5741 8.95205 TIMING: 2007000 CPU: 6051.48, 0.00297251/step Wall: 6051.48, 0.00297251/step, 2.47131 hours remaining, 209.222656 MB of memory in use. ENERGY: 2007000 720.1719 2092.8085 1960.1908 114.8362 -205833.5072 17492.3233 0.0000 0.0000 34294.0319 -149159.1446 299.4983 -183453.1765 -149055.4221 299.6980 -60.8522 -30.2546 557365.8787 -2.0547 -2.0789 PRESSURE: 2007200 135.463 168.308 112.538 168.309 81.9589 -254.008 112.538 -254.008 329.125 GPRESSURE: 2007200 174.445 209.498 94.1353 102.476 119.614 -291.832 88.8143 -156.425 362.937 PRESSAVG: 2007200 71.7204 -11.2812 13.9678 -11.2813 -61.419 17.3892 13.9679 17.3894 0.139071 GPRESSAVG: 2007200 70.9787 -11.2894 13.5165 -12.2515 -60.352 14.3225 12.4199 18.7983 0.0786947 TIMING: 2007200 CPU: 6052.08, 0.00297645/step Wall: 6052.08, 0.00297645/step, 2.47442 hours remaining, 209.222656 MB of memory in use. ENERGY: 2007200 735.5837 2084.1352 1917.7286 119.4815 -206183.2894 17936.4168 0.0000 0.0000 34047.4817 -149342.4619 297.3451 -183389.9436 -149238.1356 298.8034 182.1824 218.9984 556565.2674 3.4801 3.5685 PRESSURE: 2007400 -97.6859 97.4926 183.444 97.4928 91.2203 16.8084 183.442 16.8094 -4.30188 GPRESSURE: 2007400 -98.1867 106.282 113.005 92.7732 190.882 95.5145 227.033 70.0844 -5.22343 PRESSAVG: 2007400 -24.4315 5.47512 8.72022 5.47512 -6.80846 55.8351 8.72027 55.835 23.5609 GPRESSAVG: 2007400 -24.8414 4.39705 8.30715 6.30656 -7.66663 58.5226 7.16583 54.9653 24.8152 TIMING: 2007400 CPU: 6052.67, 0.00298817/step Wall: 6052.67, 0.00298817/step, 2.484 hours remaining, 209.222656 MB of memory in use. ENERGY: 2007400 748.6818 2090.0592 1948.4935 106.0513 -206526.5281 17886.9666 0.0000 0.0000 34315.8011 -149430.4746 299.6884 -183746.2757 -149333.7063 298.7282 -3.5892 29.1572 556650.7879 -2.5597 -2.5643 PRESSURE: 2007600 71.9809 -27.5167 -17.7365 -27.5176 -36.7585 -28.9157 -17.735 -28.9128 -35.0346 GPRESSURE: 2007600 77.8595 50.2392 42.2308 -67.5692 101.102 -95.4639 0.056919 55.0259 -80.3428 PRESSAVG: 2007600 -0.833346 13.2749 28.9474 13.275 48.6814 -23.4026 28.9475 -23.4028 -0.553351 GPRESSAVG: 2007600 -0.470956 13.8282 31.3878 12.9956 48.993 -24.6164 29.9408 -26.2348 -1.06713 TIMING: 2007600 CPU: 6053.27, 0.00297636/step Wall: 6053.27, 0.00297636/step, 2.47402 hours remaining, 209.222656 MB of memory in use. ENERGY: 2007600 730.8340 2110.0690 1949.3422 103.0510 -206449.6684 18012.5591 0.0000 0.0000 34093.0078 -149450.8052 297.7427 -183543.8131 -149360.1328 298.7966 0.0626 32.8729 557387.6644 15.7649 15.8183 PRESSURE: 2007800 -99.6543 16.9397 -119.515 16.9394 30.1817 -95.3422 -119.514 -95.3415 -108.037 GPRESSURE: 2007800 -57.0118 22.4084 -108.64 -46.5627 49.7789 -113.465 -162.71 -58.4834 -61.9148 PRESSAVG: 2007800 -35.0101 17.4122 -33.1627 17.4122 -11.8976 -9.43722 -33.1627 -9.43711 33.044 GPRESSAVG: 2007800 -33.7454 18.8777 -34.8005 15.7481 -12.5954 -8.86504 -34.4112 -5.36813 33.4117 TIMING: 2007800 CPU: 6053.87, 0.00300764/step Wall: 6053.87, 0.00300764/step, 2.49985 hours remaining, 209.222656 MB of memory in use. ENERGY: 2007800 732.9626 2074.7901 1913.0374 114.2359 -206142.0479 17784.7663 0.0000 0.0000 34204.1653 -149318.0903 298.7135 -183522.2556 -149214.3352 298.6902 -59.1699 -23.0492 559034.6224 -4.6212 -4.3097 PRESSURE: 2008000 0.765038 72.1066 39.6503 72.1064 129.337 49.3928 39.651 49.3923 -190.691 GPRESSURE: 2008000 -2.78508 9.31637 -13.0086 205.004 153.431 17.818 94.3457 67.6162 -109.386 PRESSAVG: 2008000 -81.832 10.8773 3.35385 10.8773 53.9329 -25.576 3.35385 -25.5759 19.5456 GPRESSAVG: 2008000 -82.2615 10.1005 3.90494 13.4511 53.76 -24.7104 3.99757 -28.7725 20.1485 TIMING: 2008000 CPU: 6054.46, 0.00295868/step Wall: 6054.46, 0.00295868/step, 2.45899 hours remaining, 209.222656 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: 2008000 746.2901 2120.3616 1924.4271 116.6222 -206112.9751 17770.9977 0.0000 0.0000 34136.0771 -149298.1992 298.1189 -183434.2763 -149201.2895 298.6540 -20.1962 13.7534 557403.0593 -2.7845 -2.7843 PRESSURE: 2008200 -31.9735 -68.23 175.728 -68.231 28.0122 -55.4579 175.728 -55.4573 215.375 GPRESSURE: 2008200 37.4305 -77.3265 192.818 -96.4082 64.7719 -102.291 166.44 -68.0784 213.382 PRESSAVG: 2008200 -90.3312 61.9104 26.6251 61.9104 39.5417 6.37774 26.625 6.3777 16.7582 GPRESSAVG: 2008200 -89.837 62.2939 27.1 62.5288 40.2515 6.081 25.7317 7.0333 15.3544 TIMING: 2008200 CPU: 6055.06, 0.00297773/step Wall: 6055.06, 0.00297773/step, 2.47466 hours remaining, 209.222656 MB of memory in use. ENERGY: 2008200 740.3913 2135.4983 1919.0220 110.4498 -206329.5424 17876.6960 0.0000 0.0000 34128.4713 -149419.0138 298.0524 -183547.4851 -149322.3749 299.1291 70.4711 105.1947 557253.2660 -11.3438 -11.4104 LDB: ============= START OF LOAD BALANCING ============== 6058.57 LDB: ============== END OF LOAD BALANCING =============== 6058.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6058.58 LDB: ============= START OF LOAD BALANCING ============== 6058.87 LDB: Largest compute 4772 load 0.031546 is 26.7% of average load 0.118053 LDB: Average compute 0.001733 is 1.5% of average load 0.118053 LDB: TIME 6058.88 LOAD: AVG 0.118053 MAX 0.207325 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.926 MB LDB: TIME 6058.88 LOAD: AVG 0.118053 MAX 0.207325 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.926 MB LDB: TIME 6058.88 LOAD: AVG 0.118053 MAX 0.207325 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.926 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6058.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6058.88 PRESSURE: 2008400 -34.9214 -106.261 -92.7319 -106.262 4.84287 -53.9507 -92.7327 -53.9512 35.4093 GPRESSURE: 2008400 -14.3325 -158.959 -131.497 -133.75 0.746777 -21.7347 -51.6431 -98.6415 112.009 PRESSAVG: 2008400 -4.94875 3.27081 -5.39076 3.2708 26.8977 23.3106 -5.39079 23.3106 -23.662 GPRESSAVG: 2008400 -4.27186 2.51252 -4.68998 0.00650503 26.8049 26.2659 -5.32257 23.1422 -24.2888 TIMING: 2008400 CPU: 6055.67, 0.00304696/step Wall: 6055.67, 0.00304696/step, 2.53202 hours remaining, 208.527344 MB of memory in use. ENERGY: 2008400 761.0707 2080.2825 1911.1481 108.0130 -206633.3053 17961.2272 0.0000 0.0000 34373.6173 -149437.9465 300.1933 -183811.5638 -149341.4986 298.8987 1.7769 32.8077 557897.4769 -0.5710 -0.5852 PRESSURE: 2008600 125.127 126.935 -171.511 126.934 -29.2894 56.265 -171.512 56.2639 128.94 GPRESSURE: 2008600 154.916 80.5014 -177.348 168.824 42.1186 11.6261 -86.0884 102.181 117.497 PRESSAVG: 2008600 36.5985 -6.86367 3.24891 -6.86381 -14.6168 20.9974 3.24879 20.9975 -14.4904 GPRESSAVG: 2008600 37.3479 -5.58895 1.26594 -6.76361 -16.2083 17.4951 5.25154 21.216 -13.6258 TIMING: 2008600 CPU: 6056.27, 0.00299708/step Wall: 6056.27, 0.00299708/step, 2.4904 hours remaining, 208.851562 MB of memory in use. ENERGY: 2008600 721.0083 2044.5622 1898.7949 118.4223 -206317.0488 17882.5978 0.0000 0.0000 34356.0288 -149295.6345 300.0397 -183651.6632 -149194.4579 299.1589 74.9259 104.8438 557938.6696 2.4971 2.5046 PRESSURE: 2008800 63.0045 -111.196 13.2812 -111.194 -133.372 -45.4191 13.2807 -45.4191 -246.37 GPRESSURE: 2008800 62.5139 -91.5817 77.8289 -160.112 -51.2226 -91.109 -18.6219 -33.3471 -240.618 PRESSAVG: 2008800 74.3017 -51.0124 -7.45068 -51.0122 9.52764 -39.5285 -7.45071 -39.5286 -65.6301 GPRESSAVG: 2008800 71.1172 -52.5552 -3.76332 -48.5449 10.8757 -37.805 -9.20338 -38.687 -64.4425 TIMING: 2008800 CPU: 6056.87, 0.00302595/step Wall: 6056.87, 0.00302595/step, 2.51423 hours remaining, 208.851562 MB of memory in use. ENERGY: 2008800 732.6986 2102.9180 1917.9998 110.3593 -206088.7601 17629.1774 0.0000 0.0000 34413.1045 -149182.5023 300.5382 -183595.6069 -149083.5588 299.8732 -105.5792 -76.4424 558408.8976 6.0664 5.8501 PRESSURE: 2009000 -270.136 46.0466 61.2215 46.0473 85.2482 -152.277 61.2224 -152.277 -169.768 GPRESSURE: 2009000 -217.53 -25.3125 95.3025 91.4626 98.5576 -161.803 110.228 -96.4878 -130.019 PRESSAVG: 2009000 16.3586 -26.2054 1.42444 -26.2054 59.7912 -30.7502 1.42449 -30.7503 -30.102 GPRESSAVG: 2009000 18.5259 -26.0913 -0.710462 -29.2543 60.2578 -32.9027 3.76514 -31.4745 -31.9861 TIMING: 2009000 CPU: 6057.48, 0.0030172/step Wall: 6057.48, 0.0030172/step, 2.50679 hours remaining, 209.113281 MB of memory in use. ENERGY: 2009000 728.1368 2069.0976 1929.4707 122.0077 -206003.8749 17573.9686 0.0000 0.0000 34367.1485 -149214.0450 300.1369 -183581.1935 -149121.5515 299.7939 -118.2184 -82.9972 558669.2494 15.3493 15.5992 PRESSURE: 2009200 108.091 29.3093 -65.9942 29.3092 -96.999 35.9005 -65.9947 35.9009 -161.521 GPRESSURE: 2009200 122.473 67.6689 -23.7984 -47.7251 -87.3694 81.4412 -35.7615 71.8549 -98.9153 PRESSAVG: 2009200 -17.4268 -17.0612 35.7352 -17.0612 2.979 -16.3006 35.7353 -16.3006 -32.7523 GPRESSAVG: 2009200 -18.0154 -16.1918 37.7672 -16.4607 2.35199 -13.9687 35.0831 -15.7318 -31.7228 TIMING: 2009200 CPU: 6058.07, 0.00299762/step Wall: 6058.07, 0.00299762/step, 2.49036 hours remaining, 209.113281 MB of memory in use. ENERGY: 2009200 747.5427 2106.3875 1932.9821 113.7056 -206580.7006 17900.4242 0.0000 0.0000 34525.6662 -149253.9922 301.5212 -183779.6585 -149151.9463 299.7324 -50.1430 -21.2706 556694.5552 -15.7334 -15.7954 PRESSURE: 2009400 -546.255 -0.0791453 57.8915 -0.0798995 -119.847 65.275 57.8933 65.2762 -351.074 GPRESSURE: 2009400 -489.868 -59.1525 62.9282 -26.9681 -128.383 -43.0358 28.1715 82.8502 -301.804 PRESSAVG: 2009400 -17.6459 -52.4662 51.0305 -52.4662 -16.9018 -7.10809 51.0305 -7.1081 -6.26297 GPRESSAVG: 2009400 -17.5696 -53.7786 49.4566 -51.4649 -16.0582 -8.58227 49.8672 -8.03484 -6.95654 TIMING: 2009400 CPU: 6058.67, 0.00297191/step Wall: 6058.67, 0.00297191/step, 2.46883 hours remaining, 209.113281 MB of memory in use. ENERGY: 2009400 783.5373 2063.0365 1937.5466 97.8801 -206040.3647 17553.3147 0.0000 0.0000 34204.8481 -149400.2014 298.7194 -183605.0495 -149297.2828 299.3575 -339.0585 -306.6850 558125.3802 -13.6035 -13.5281 PRESSURE: 2009600 35.4098 118.113 20.3955 118.113 -21.3113 150.004 20.3948 150.004 134.218 GPRESSURE: 2009600 48.6588 110.874 -38.169 83.5007 33.4668 237.894 59.535 67.0394 156.882 PRESSAVG: 2009600 26.3387 -43.4892 -23.6471 -43.4891 -13.5615 -28.0139 -23.647 -28.0139 -20.148 GPRESSAVG: 2009600 26.9403 -42.9564 -24.2415 -43.3342 -14.3683 -26.0011 -22.2988 -28.0293 -20.678 TIMING: 2009600 CPU: 6059.27, 0.00299743/step Wall: 6059.27, 0.00299743/step, 2.48986 hours remaining, 209.113281 MB of memory in use. ENERGY: 2009600 744.7749 2128.8545 1921.9174 130.9814 -206400.4374 17993.8263 0.0000 0.0000 34056.2046 -149423.8783 297.4213 -183480.0829 -149328.8902 299.2636 49.4389 79.6693 557978.6406 -2.4569 -2.7020 PRESSURE: 2009800 -177.104 87.4137 -63.8806 87.4133 10.1211 -18.0128 -63.8793 -18.0115 -187.728 GPRESSURE: 2009800 -124.585 83.8594 -90.6296 -4.55759 -9.18358 -25.9808 33.2095 0.268926 -122.659 PRESSAVG: 2009800 -16.4395 56.5353 4.53206 56.5353 -7.00634 9.67883 4.53215 9.67886 22.8155 GPRESSAVG: 2009800 -17.8801 55.5589 4.68252 56.6294 -7.04558 8.37834 3.38022 11.4773 23.7536 TIMING: 2009800 CPU: 6059.87, 0.00301874/step Wall: 6059.87, 0.00301874/step, 2.5074 hours remaining, 209.125000 MB of memory in use. ENERGY: 2009800 740.5798 2094.9588 1931.1653 105.1787 -206039.8774 17838.1393 0.0000 0.0000 34149.2151 -149180.6404 298.2336 -183329.8556 -149076.2588 298.8494 -118.2367 -85.4760 560488.8416 -0.2101 -0.3907 PRESSURE: 2010000 78.5454 -82.5081 -153.051 -82.5073 40.9254 61.4661 -153.05 61.4653 -207.303 GPRESSURE: 2010000 133.411 -57.5904 -308.105 -78.5641 19.9845 85.7494 -2.60859 -23.4121 -162.366 PRESSAVG: 2010000 12.001 -10.3668 -14.6606 -10.3667 15.3306 15.9054 -14.6605 15.9053 -28.2604 GPRESSAVG: 2010000 11.5476 -7.57254 -15.315 -10.3097 14.841 16.8153 -15.2877 14.3667 -27.7416 TIMING: 2010000 CPU: 6060.48, 0.00301664/step Wall: 6060.48, 0.00301664/step, 2.50548 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: 2010000 713.1612 2025.5145 1908.2302 117.4256 -205815.4779 17551.0154 0.0000 0.0000 34274.2467 -149225.8842 299.3255 -183500.1310 -149129.1178 299.1318 -29.2773 -2.9901 558744.8418 -0.3096 -0.4510 PRESSURE: 2010200 -65.7358 -166.964 41.9167 -166.963 -28.7769 10.0482 41.9159 10.0481 -59.6224 GPRESSURE: 2010200 -17.6624 -236.526 83.2037 -81.1822 -27.1606 -1.77726 63.0991 -0.145921 -19.055 PRESSAVG: 2010200 -3.34077 -28.658 15.6961 -28.658 24.5911 -42.2529 15.696 -42.2529 -56.2141 GPRESSAVG: 2010200 -2.09525 -29.3976 16.0513 -28.0964 24.0223 -43.7235 17.1562 -40.5372 -57.3465 TIMING: 2010200 CPU: 6061.08, 0.00303867/step Wall: 6061.08, 0.00303867/step, 2.52361 hours remaining, 209.125000 MB of memory in use. ENERGY: 2010200 751.8751 2082.5755 1914.7637 126.3208 -206178.5484 17744.0427 0.0000 0.0000 34231.4566 -149327.5140 298.9518 -183558.9706 -149228.1666 299.2035 -51.3783 -21.2927 557318.9912 -11.6546 -11.8065 PRESSURE: 2010400 118.646 45.1054 21.1675 45.105 199.938 17.7449 21.1662 17.7453 3.81522 GPRESSURE: 2010400 114.205 -24.4334 -57.2921 31.7452 244.618 -9.13702 2.46823 56.449 64.5526 PRESSAVG: 2010400 8.50927 -0.6378 -12.0401 -0.637866 19.7445 -26.7132 -12.0401 -26.7133 -20.4266 GPRESSAVG: 2010400 7.10101 0.736166 -10.5497 0.327467 22.0521 -24.6249 -14.2214 -29.7698 -21.274 TIMING: 2010400 CPU: 6061.68, 0.00299514/step Wall: 6061.68, 0.00299514/step, 2.4873 hours remaining, 209.125000 MB of memory in use. ENERGY: 2010400 727.1004 2032.8084 1939.4402 105.3625 -206748.0995 18117.3130 0.0000 0.0000 34538.9720 -149287.1031 301.6374 -183826.0751 -149186.6248 299.7930 107.4665 141.1249 557620.7473 2.6091 2.6264 PRESSURE: 2010600 239.759 -70.0766 9.33972 -70.0781 46.9282 -82.4395 9.33887 -82.4408 28.7235 GPRESSURE: 2010600 236.792 -113.623 22.1478 18.1927 79.4115 -61.724 -41.882 -103.127 101.758 PRESSAVG: 2010600 -6.58621 0.703863 -19.0354 0.703865 62.0476 -26.6283 -19.0355 -26.6282 -2.60725 GPRESSAVG: 2010600 -6.27342 0.148506 -18.5524 -0.00368064 61.1894 -26.6543 -17.4237 -23.9225 -1.38774 TIMING: 2010600 CPU: 6062.28, 0.00300969/step Wall: 6062.28, 0.00300969/step, 2.49922 hours remaining, 209.125000 MB of memory in use. ENERGY: 2010600 770.4310 2041.5036 1938.8371 117.9381 -206266.7585 18002.2033 0.0000 0.0000 34012.8470 -149382.9985 297.0427 -183395.8454 -149290.5394 298.7188 105.1370 139.3207 556664.0509 17.6180 17.8427 PRESSURE: 2010800 -34.8931 7.04601 208.188 7.04601 -81.8031 -70.006 208.189 -70.0067 -219.389 GPRESSURE: 2010800 -26.9457 20.5093 228.699 27.6086 -63.7911 17.8537 171.546 -66.3537 -143.308 PRESSAVG: 2010800 29.0116 -9.08067 41.9467 -9.08073 -38.9979 8.26416 41.9467 8.26417 23.9196 GPRESSAVG: 2010800 28.9788 -8.02831 41.2559 -9.69754 -37.776 7.1918 43.6058 7.69094 22.8023 TIMING: 2010800 CPU: 6062.88, 0.00300108/step Wall: 6062.88, 0.00300108/step, 2.4919 hours remaining, 209.125000 MB of memory in use. ENERGY: 2010800 726.5241 2114.2797 1926.0619 99.1578 -206143.3233 17576.5612 0.0000 0.0000 34269.3228 -149431.4158 299.2825 -183700.7386 -149326.9116 298.6820 -112.0285 -78.0148 557035.4258 4.6444 4.6684 PRESSURE: 2011000 321.961 26.8798 61.3483 26.88 219.65 99.0245 61.3483 99.0234 242.679 GPRESSURE: 2011000 367.551 32.3733 56.9077 27.9845 322.779 65.6401 -8.57651 183.621 189.644 PRESSAVG: 2011000 23.0442 24.7711 -3.49325 24.7711 35.4611 -3.89578 -3.49317 -3.89588 -56.7778 GPRESSAVG: 2011000 22.9977 23.2561 -3.75019 25.4039 35.1148 -4.65716 -6.65678 -2.67205 -56.8948 TIMING: 2011000 CPU: 6063.48, 0.00298187/step Wall: 6063.48, 0.00298187/step, 2.47578 hours remaining, 209.125000 MB of memory in use. ENERGY: 2011000 733.8211 2083.2133 1921.2864 130.6924 -206796.7293 18234.2978 0.0000 0.0000 34236.2254 -149457.1929 298.9935 -183693.4183 -149363.0739 298.5742 261.4300 293.3245 556979.1176 0.5758 0.4059 PRESSURE: 2011200 -122.168 70.3911 -58.1851 70.3921 172.093 -2.95336 -58.1857 -2.95365 -91.5473 GPRESSURE: 2011200 -111.626 69.9766 -0.258123 25.7217 143.366 69.5245 -116.352 -87.8374 22.266 PRESSAVG: 2011200 -2.77113 66.085 -8.48312 66.085 45.9377 -15.0177 -8.48319 -15.0177 14.1967 GPRESSAVG: 2011200 -2.78672 65.7645 -8.81932 65.5887 43.4698 -12.5424 -6.42169 -17.6519 16.2231 TIMING: 2011200 CPU: 6064.08, 0.00300656/step Wall: 6064.08, 0.00300656/step, 2.49611 hours remaining, 209.125000 MB of memory in use. ENERGY: 2011200 703.2982 2101.6050 1908.4272 105.5077 -206548.4086 18052.8763 0.0000 0.0000 34357.3258 -149319.3684 300.0511 -183676.6942 -149227.9541 299.2969 -13.8740 18.0021 558475.6557 19.1211 18.9687 PRESSURE: 2011400 -171.958 63.5294 92.8082 63.5284 -151.634 -116.919 92.8074 -116.92 45.7564 GPRESSURE: 2011400 -101.012 130.493 29.565 20.9434 -147.437 -120.707 149.547 -125.425 61.7316 PRESSAVG: 2011400 -78.2447 52.1941 -5.81166 52.1942 29.6729 9.80264 -5.81172 9.80268 62.2677 GPRESSAVG: 2011400 -80.5076 52.8768 -6.06478 51.9601 31.239 8.03803 -5.0223 12.3048 62.9072 TIMING: 2011400 CPU: 6064.69, 0.00301674/step Wall: 6064.69, 0.00301674/step, 2.50439 hours remaining, 209.125000 MB of memory in use. ENERGY: 2011400 753.4458 2106.7555 1915.2219 110.4078 -205718.7553 17621.4198 0.0000 0.0000 34006.3589 -149205.1456 296.9860 -183211.5045 -149109.8825 298.5470 -92.6120 -62.2391 558629.0439 4.5653 4.5462 PRESSURE: 2011600 217.081 -28.4162 -32.411 -28.4163 -64.8655 -134.546 -32.4121 -134.545 65.6199 GPRESSURE: 2011600 234.618 -55.8373 -14.325 46.8683 -26.1985 -131.02 -41.5966 -89.5241 101.321 PRESSAVG: 2011600 -25.815 -13.6261 -49.7344 -13.626 -38.8075 -56.2681 -49.7344 -56.2681 73.4643 GPRESSAVG: 2011600 -24.0113 -14.2996 -48.9095 -12.5523 -39.2248 -58.9986 -51.6893 -55.4255 72.3098 TIMING: 2011600 CPU: 6065.29, 0.00299855/step Wall: 6065.29, 0.00299855/step, 2.48913 hours remaining, 209.125000 MB of memory in use. ENERGY: 2011600 753.2356 2080.4976 1927.1352 128.9811 -206415.6549 18028.0058 0.0000 0.0000 34271.8230 -149225.9767 299.3044 -183497.7997 -149124.1483 298.4909 72.6117 103.2468 557483.1015 2.9473 3.0245 PRESSURE: 2011800 -109.791 -76.2685 -52.6686 -76.269 93.7201 28.0934 -52.6693 28.0945 130.724 GPRESSURE: 2011800 -113.768 -64.4819 -31.6288 -98.8167 93.4827 -32.5518 -47.0608 65.6857 231.597 PRESSAVG: 2011800 3.39107 39.3829 -10.7694 39.383 -15.6994 -57.3818 -10.7693 -57.3816 11.2704 GPRESSAVG: 2011800 3.85741 40.3847 -10.0803 39.0862 -15.6604 -55.3416 -11.7553 -59.4406 10.0586 TIMING: 2011800 CPU: 6065.89, 0.00300277/step Wall: 6065.89, 0.00300277/step, 2.49247 hours remaining, 209.125000 MB of memory in use. ENERGY: 2011800 751.5275 2079.8222 1920.0308 114.4978 -206455.2933 17990.4734 0.0000 0.0000 34267.8724 -149331.0693 299.2699 -183598.9417 -149237.3551 298.4101 38.2177 70.4374 558705.6194 -0.3459 -0.5815 PRESSURE: 2012000 11.2012 -46.0083 28.4774 -46.0092 -48.5623 -19.716 28.4769 -19.7175 -167.072 GPRESSURE: 2012000 27.2665 -47.354 97.7261 -11.2287 -26.2074 3.69968 -29.1455 -34.2443 -107.297 PRESSAVG: 2012000 -3.38829 -15.4226 6.18332 -15.4226 10.6378 -5.38963 6.18338 -5.38972 -27.6624 GPRESSAVG: 2012000 -3.76679 -15.3783 6.65332 -15.1297 10.8341 -3.65243 7.85633 -7.0938 -27.2053 TIMING: 2012000 CPU: 6066.49, 0.00299999/step Wall: 6066.49, 0.00299999/step, 2.48999 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: 2012000 743.6666 2109.0900 1923.7292 119.7841 -206200.0427 17701.6371 0.0000 0.0000 34130.8937 -149471.2419 298.0736 -183602.1357 -149379.8509 298.5650 -68.1443 -35.4127 558117.9608 -6.8043 -6.7127 PRESSURE: 2012200 -40.0515 138.792 -77.6842 138.791 179.267 -101.084 -77.6842 -101.084 162.275 GPRESSURE: 2012200 -13.1574 161.299 -2.29205 80.6057 251.685 -169.716 -153.648 -59.6876 176.726 PRESSAVG: 2012200 13.3327 -5.00375 9.87533 -5.00374 37.2194 -20.6769 9.87528 -20.677 8.39516 GPRESSAVG: 2012200 14.3201 -6.49658 10.1282 -3.60523 36.7918 -21.3306 8.62686 -18.7208 8.07091 TIMING: 2012200 CPU: 6067.09, 0.00301799/step Wall: 6067.09, 0.00301799/step, 2.50476 hours remaining, 209.125000 MB of memory in use. ENERGY: 2012200 698.8850 2080.0960 1950.6222 116.1434 -206367.8901 17865.6002 0.0000 0.0000 33984.1515 -149672.3918 296.7920 -183656.5433 -149572.2517 298.1220 100.4970 138.4180 557441.6891 19.6491 19.7276 LDB: ============= START OF LOAD BALANCING ============== 6070.61 LDB: ============== END OF LOAD BALANCING =============== 6070.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6070.61 LDB: ============= START OF LOAD BALANCING ============== 6070.91 LDB: Largest compute 4772 load 0.030097 is 25.5% of average load 0.118123 LDB: Average compute 0.001735 is 1.5% of average load 0.118123 LDB: TIME 6070.91 LOAD: AVG 0.118123 MAX 0.20584 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.562 MB LDB: TIME 6070.91 LOAD: AVG 0.118123 MAX 0.20584 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.562 MB LDB: TIME 6070.91 LOAD: AVG 0.118123 MAX 0.20584 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.562 MB LDB: ============== END OF LOAD BALANCING =============== 6070.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6070.92 PRESSURE: 2012400 -256.188 -158.927 -16.4353 -158.927 -207.978 65.6505 -16.4355 65.6498 -200.906 GPRESSURE: 2012400 -259.345 -238.699 -16.7325 -48.0411 -117.344 6.29733 -61.6235 134.366 -181.818 PRESSAVG: 2012400 -16.9416 8.63293 -10.0883 8.63299 19.0181 -50.5241 -10.0883 -50.524 -12.7775 GPRESSAVG: 2012400 -16.6912 7.25587 -11.1025 7.53745 19.7105 -53.0031 -9.54989 -49.2837 -13.5841 TIMING: 2012400 CPU: 6067.7, 0.00306487/step Wall: 6067.7, 0.00306487/step, 2.5435 hours remaining, 208.015625 MB of memory in use. ENERGY: 2012400 747.5612 2086.6631 1921.1492 108.1607 -205764.8477 17453.5235 0.0000 0.0000 33926.7087 -149521.0813 296.2904 -183447.7900 -149428.0113 297.9226 -221.6905 -186.1689 558139.1630 -3.5670 -3.5216 PRESSURE: 2012600 -89.698 122.234 108.977 122.236 -176.845 -62.2839 108.979 -62.2829 -242.059 GPRESSURE: 2012600 -51.9816 134.529 56.6128 53.8432 -113.09 -62.2677 201.995 -73.1268 -239.577 PRESSAVG: 2012600 38.245 43.5976 -72.3119 43.5976 -15.5745 -25.2001 -72.312 -25.2 -26.7078 GPRESSAVG: 2012600 37.1307 47.1522 -70.6206 41.6123 -15.7297 -23.2011 -72.3125 -25.6748 -25.847 TIMING: 2012600 CPU: 6068.3, 0.00299156/step Wall: 6068.3, 0.00299156/step, 2.4825 hours remaining, 208.085938 MB of memory in use. ENERGY: 2012600 740.3479 2028.2236 1939.6502 122.1063 -206478.9799 17819.6465 0.0000 0.0000 34452.4516 -149376.5538 300.8818 -183829.0054 -149276.5331 298.7164 -169.5339 -134.8828 557938.9537 -1.3458 -1.4820 PRESSURE: 2012800 103.836 -55.764 -46.4265 -55.764 -93.811 40.5683 -46.4263 40.5661 -244.178 GPRESSURE: 2012800 118.981 -16.3694 -48.1502 -70.2252 -67.707 44.8414 -53.1552 123.006 -180.965 PRESSAVG: 2012800 -7.14326 -20.26 -34.1534 -20.26 28.2468 4.34078 -34.1534 4.34081 -18.8364 GPRESSAVG: 2012800 -7.03197 -20.0768 -35.7405 -19.6647 26.7274 5.01146 -34.7744 4.19921 -18.0547 TIMING: 2012800 CPU: 6068.9, 0.00298238/step Wall: 6068.9, 0.00298238/step, 2.47471 hours remaining, 208.085938 MB of memory in use. ENERGY: 2012800 750.2420 2022.0682 1961.4251 105.9420 -206116.2591 17609.5941 0.0000 0.0000 34257.6223 -149409.3654 299.1803 -183666.9877 -149311.7593 298.8779 -78.0512 -43.2303 556295.5365 0.7557 0.5469 PRESSURE: 2013000 118.008 -115.927 -34.3404 -115.927 25.7746 -226.685 -34.3409 -226.684 -8.0253 GPRESSURE: 2013000 144.005 -118.442 7.25443 -92.4229 83.8437 -164.947 -97.0471 -228.245 1.93843 PRESSAVG: 2013000 52.5491 61.5531 49.2424 61.5531 -30.2791 -18.5486 49.2423 -18.5488 -28.4587 GPRESSAVG: 2013000 51.3738 60.2943 47.612 62.8451 -28.5456 -19.1128 50.4817 -18.1862 -28.6525 TIMING: 2013000 CPU: 6069.49, 0.00298053/step Wall: 6069.49, 0.00298053/step, 2.47301 hours remaining, 208.085938 MB of memory in use. ENERGY: 2013000 742.6604 2094.0623 1941.5840 108.2481 -206430.3808 18017.8600 0.0000 0.0000 34081.1298 -149444.8362 297.6390 -183525.9660 -149351.1092 297.9934 45.2525 76.5958 556426.6398 -2.0629 -1.9414 PRESSURE: 2013200 -54.4638 -108.725 -91.3495 -108.726 -146.312 -0.292914 -91.3498 -0.294009 46.3199 GPRESSURE: 2013200 -40.1413 -142.479 -61.361 -141.095 -124.226 -28.917 -120.8 -49.7265 105.529 PRESSAVG: 2013200 3.70319 41.1503 -49.0093 41.1503 1.38543 -47.0665 -49.0093 -47.0666 7.86961 GPRESSAVG: 2013200 3.77872 41.6504 -47.1815 38.7913 1.68158 -46.1008 -48.0214 -48.8035 7.13088 TIMING: 2013200 CPU: 6070.09, 0.00300355/step Wall: 6070.09, 0.00300355/step, 2.49194 hours remaining, 208.085938 MB of memory in use. ENERGY: 2013200 767.4403 2072.0082 1931.2841 113.2590 -206159.0839 17760.0483 0.0000 0.0000 34091.0162 -149424.0277 297.7253 -183515.0439 -149332.8466 298.4206 -51.4854 -19.6129 556936.5810 4.3194 4.1971 PRESSURE: 2013400 138.78 -152.281 -68.785 -152.281 113.849 -105.776 -68.7845 -105.774 -3.84333 GPRESSURE: 2013400 183.329 -142.914 -80.3119 -159.881 146.146 -143.905 -53.5312 -109.276 12.0478 PRESSAVG: 2013400 -20.6267 -72.8377 -61.5514 -72.8377 36.1416 -9.38754 -61.5513 -9.38752 7.95724 GPRESSAVG: 2013400 -20.2165 -74.1327 -61.0302 -71.4798 35.5506 -9.44049 -62.684 -8.69469 8.05813 TIMING: 2013400 CPU: 6070.69, 0.00300068/step Wall: 6070.69, 0.00300068/step, 2.4894 hours remaining, 208.085938 MB of memory in use. ENERGY: 2013400 712.4708 2140.8388 1922.2327 117.1188 -206795.7442 18106.6422 0.0000 0.0000 34295.4988 -149500.9421 299.5111 -183796.4409 -149409.4079 299.0244 82.9287 113.8411 556418.9746 7.8241 7.7974 PRESSURE: 2013600 -48.3248 -82.0295 -12.4443 -82.0292 -214.945 -185.053 -12.4435 -185.052 -293.41 GPRESSURE: 2013600 -74.051 -59.2982 -101.933 -136.69 -187.708 -202.359 95.2171 -244.988 -200.662 PRESSAVG: 2013600 27.266 -41.2173 -3.81255 -41.2173 5.13634 -47.8288 -3.81257 -47.8289 -24.7753 GPRESSAVG: 2013600 27.4117 -40.7999 -5.04748 -42.0753 4.54598 -48.9026 -2.1906 -47.0393 -24.6588 TIMING: 2013600 CPU: 6071.29, 0.00298128/step Wall: 6071.29, 0.00298128/step, 2.47314 hours remaining, 208.085938 MB of memory in use. ENERGY: 2013600 755.2647 2169.5573 1923.5053 118.0488 -206064.0900 17519.6703 0.0000 0.0000 34241.3885 -149336.6552 299.0386 -183578.0437 -149238.5749 299.0667 -185.5602 -154.1404 557353.3429 2.5424 2.4330 PRESSURE: 2013800 134.152 -69.9636 -61.1202 -69.9632 -69.6602 26.4978 -61.1197 26.496 52.2013 GPRESSURE: 2013800 113.434 51.2933 -86.5565 -156.15 21.4433 19.7894 -34.7688 -15.6281 65.8668 PRESSAVG: 2013800 69.4749 7.42691 -89.1756 7.42694 -33.8915 -34.4373 -89.1756 -34.4373 13.7164 GPRESSAVG: 2013800 69.7794 8.14057 -88.9765 7.2271 -34.0274 -33.7489 -88.7435 -34.7381 12.8958 TIMING: 2013800 CPU: 6071.88, 0.00296997/step Wall: 6071.88, 0.00296997/step, 2.46359 hours remaining, 208.085938 MB of memory in use. ENERGY: 2013800 736.3381 2105.6683 1923.9547 126.2488 -206110.6984 17809.8608 0.0000 0.0000 34256.7393 -149151.8885 299.1726 -183408.6277 -149050.3367 299.7063 38.8978 66.9146 556400.7924 16.4333 16.2159 PRESSURE: 2014000 269.276 -120.765 -49.2722 -120.765 44.1626 8.60785 -49.2718 8.60829 54.1478 GPRESSURE: 2014000 303.273 -98.2139 -102.874 -137.763 63.4495 7.07997 -113.327 14.3867 86.7101 PRESSAVG: 2014000 13.136 25.5562 -43.9267 25.5563 -28.292 -6.04029 -43.9267 -6.04034 12.3148 GPRESSAVG: 2014000 12.5933 24.6696 -44.4243 26.1256 -28.506 -7.29496 -46.5593 -6.72451 12.9887 TIMING: 2014000 CPU: 6072.48, 0.00297411/step Wall: 6072.48, 0.00297411/step, 2.46686 hours remaining, 208.085938 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: 2014000 769.9190 2156.4669 1955.3191 120.8484 -206633.8739 18076.2531 0.0000 0.0000 34285.1967 -149269.8705 299.4212 -183555.0673 -149172.2524 299.5773 122.5289 151.1441 556865.5805 -0.9471 -0.9747 PRESSURE: 2014200 207.579 176.765 -23.1059 176.764 -67.1562 -78.9277 -23.106 -78.9275 104.242 GPRESSURE: 2014200 214.815 241.503 26.5548 234.865 -46.9601 -41.0538 -33.8335 -118.494 190.713 PRESSAVG: 2014200 80.5022 21.0611 30.4839 21.0611 -91.7766 0.273081 30.4838 0.27311 -52.279 GPRESSAVG: 2014200 79.9859 20.9121 30.7999 21.1191 -91.1062 2.50633 31.5477 0.248002 -52.5733 TIMING: 2014200 CPU: 6073.07, 0.00297494/step Wall: 6073.07, 0.00297494/step, 2.46738 hours remaining, 208.085938 MB of memory in use. ENERGY: 2014200 748.8250 2099.7519 1935.4612 114.1701 -206386.5649 17890.8953 0.0000 0.0000 34229.9821 -149367.4793 298.9389 -183597.4613 -149261.6663 299.5811 81.5552 119.5224 556921.1498 -21.1844 -21.2312 PRESSURE: 2014400 -43.0139 -48.4046 77.8453 -48.403 -255.421 -2.43444 77.8447 -2.43717 34.8897 GPRESSURE: 2014400 -35.1159 -63.9095 38.7339 -64.6912 -168.706 -37.2286 9.17556 -13.0822 40.9672 PRESSAVG: 2014400 11.1371 -7.79201 -10.4895 -7.79202 3.57018 -4.62093 -10.4895 -4.62095 -2.64807 GPRESSAVG: 2014400 12.139 -9.24688 -9.29391 -7.18804 1.77665 -6.21598 -11.339 -3.2792 -1.99924 TIMING: 2014400 CPU: 6073.67, 0.0029642/step Wall: 6073.67, 0.0029642/step, 2.45831 hours remaining, 208.085938 MB of memory in use. ENERGY: 2014400 793.2066 2083.3404 1926.3197 115.8988 -206212.7481 17816.4221 0.0000 0.0000 34067.3171 -149410.2435 297.5184 -183477.5605 -149306.6672 298.9071 -87.8485 -54.2848 557817.4479 4.0198 3.9721 PRESSURE: 2014600 -116.368 -33.7376 53.4014 -33.7381 1.33053 -68.3265 53.4006 -68.3272 100.811 GPRESSURE: 2014600 -132.238 -3.52219 68.3375 -20.4599 61.6865 -55.9639 56.4353 -33.3522 146.386 PRESSAVG: 2014600 -15.2819 -1.18214 73.8606 -1.1821 -5.67764 19.1849 73.8606 19.1848 -0.102035 GPRESSAVG: 2014600 -16.0901 -0.256647 74.2926 -1.60891 -3.81878 21.637 73.4104 19.3403 -1.582 TIMING: 2014600 CPU: 6074.26, 0.00298293/step Wall: 6074.26, 0.00298293/step, 2.47368 hours remaining, 208.085938 MB of memory in use. ENERGY: 2014600 810.1106 2077.2651 1955.7134 128.4051 -206340.7044 17933.5131 0.0000 0.0000 34373.1986 -149062.4984 300.1897 -183435.6970 -148966.3242 299.4468 -4.7421 25.2782 556706.3646 -7.0205 -7.1636 PRESSURE: 2014800 -124.681 -115.77 -115.87 -115.77 -103.992 102.089 -115.87 102.088 -108.101 GPRESSURE: 2014800 -114.635 -94.781 -108.869 -64.7266 -58.5464 55.0575 -127.052 93.2674 -64.1655 PRESSAVG: 2014800 40.1488 32.7239 -34.9316 32.7239 -0.914522 -26.1382 -34.9317 -26.1382 -13.7488 GPRESSAVG: 2014800 39.7875 32.665 -33.3634 32.1146 -1.26868 -25.6325 -36.1247 -28.5608 -13.6498 TIMING: 2014800 CPU: 6074.87, 0.00303652/step Wall: 6074.87, 0.00303652/step, 2.51795 hours remaining, 208.085938 MB of memory in use. ENERGY: 2014800 758.1886 2135.1147 1940.5500 118.6138 -206021.7756 17778.6309 0.0000 0.0000 34249.5849 -149041.0927 299.1101 -183290.6776 -148949.2871 299.9449 -112.2581 -79.1157 559009.8062 8.4951 8.2897 PRESSURE: 2015000 -19.3119 46.6647 135.289 46.6637 221.672 -228.83 135.288 -228.831 -1.54089 GPRESSURE: 2015000 48.2229 -20.3151 102.735 71.2588 193.978 -209.297 167.565 -336.469 54.3255 PRESSAVG: 2015000 -0.29723 -16.5685 -18.7413 -16.5685 -21.9568 -20.7735 -18.7413 -20.7734 2.08561 GPRESSAVG: 2015000 1.41416 -16.4096 -21.331 -17.1878 -22.2872 -23.3585 -15.2689 -19.7019 0.999364 TIMING: 2015000 CPU: 6075.47, 0.00300916/step Wall: 6075.47, 0.00300916/step, 2.4951 hours remaining, 208.085938 MB of memory in use. ENERGY: 2015000 741.4973 2119.1696 1916.5508 110.5693 -206117.6457 17904.5900 0.0000 0.0000 34319.8749 -149005.3937 299.7240 -183325.2687 -148908.4778 299.3353 66.9397 98.8422 559237.7238 -6.7228 -6.6246 PRESSURE: 2015200 -37.2246 67.0979 -39.2431 67.1011 -134.059 -155.675 -39.2438 -155.675 -186.623 GPRESSURE: 2015200 11.6724 87.0039 -99.5392 23.8377 -115.411 -145.115 -80.6611 -177.355 -141.638 PRESSAVG: 2015200 22.223 0.955703 -30.1785 0.955719 -76.194 -75.3718 -30.1785 -75.3718 38.7523 GPRESSAVG: 2015200 22.174 0.252341 -29.263 2.23627 -77.1308 -71.4908 -30.7973 -75.4184 40.2096 TIMING: 2015200 CPU: 6076.07, 0.00299819/step Wall: 6076.07, 0.00299819/step, 2.48583 hours remaining, 208.085938 MB of memory in use. ENERGY: 2015200 768.1694 2152.8742 1918.9705 114.2843 -206057.4282 17623.6492 0.0000 0.0000 34279.6440 -149199.8368 299.3727 -183479.4807 -149107.2742 299.5912 -119.3024 -81.7922 557092.3724 -5.0729 -4.9157 PRESSURE: 2015400 5.3303 -18.5898 -18.4974 -18.5902 105.45 173.262 -18.497 173.261 -117.499 GPRESSURE: 2015400 6.53674 -8.91047 -8.27871 -92.054 156.428 162.624 23.5391 143.827 -82.8991 PRESSAVG: 2015400 13.85 29.0087 -22.7134 29.0087 -5.65697 19.3792 -22.7133 19.3794 0.131335 GPRESSAVG: 2015400 13.8805 28.5639 -21.6927 29.2208 -5.60378 17.0979 -25.2661 19.9684 0.358424 TIMING: 2015400 CPU: 6076.67, 0.00300039/step Wall: 6076.67, 0.00300039/step, 2.48749 hours remaining, 208.085938 MB of memory in use. ENERGY: 2015400 761.3633 2059.8482 1925.4440 114.5876 -206125.1693 17868.2348 0.0000 0.0000 34169.2872 -149226.4042 298.4089 -183395.6914 -149117.5567 299.8818 -2.2396 26.6885 558151.2080 2.7748 2.8784 PRESSURE: 2015600 165.863 9.41353 -28.911 9.41232 -201.319 11.3373 -28.9112 11.338 -118.012 GPRESSURE: 2015600 193.929 27.4971 -29.2741 79.1528 -153.824 35.0112 -79.8253 46.717 -85.8534 PRESSAVG: 2015600 44.7063 -30.2585 -22.3545 -30.2585 -8.85434 58.1248 -22.3544 58.1248 8.3013 GPRESSAVG: 2015600 44.8312 -29.6432 -24.6332 -29.9019 -9.20289 58.8286 -20.6078 58.1552 8.67352 TIMING: 2015600 CPU: 6077.27, 0.00297307/step Wall: 6077.27, 0.00297307/step, 2.46468 hours remaining, 208.289062 MB of memory in use. ENERGY: 2015600 730.8569 2093.2786 1921.4253 124.3495 -206052.0756 17633.2400 0.0000 0.0000 34363.9446 -149184.9806 300.1089 -183548.9252 -149075.8377 299.6360 -51.1564 -15.2494 558548.6961 14.7177 14.7673 PRESSURE: 2015800 21.5878 -21.5722 18.4672 -21.5732 0.660495 12.3942 18.4663 12.3935 173.707 GPRESSURE: 2015800 51.9709 37.0348 76.4283 -79.6533 48.7024 -40.1999 49.5734 26.1546 195.163 PRESSAVG: 2015800 33.6328 -6.35269 -7.42433 -6.35266 -47.7036 54.4481 -7.42436 54.448 29.5003 GPRESSAVG: 2015800 33.0291 -2.5325 -6.78132 -7.71446 -47.8301 55.6575 -6.07461 51.7391 29.3063 TIMING: 2015800 CPU: 6077.87, 0.0030036/step Wall: 6077.87, 0.0030036/step, 2.48982 hours remaining, 208.289062 MB of memory in use. ENERGY: 2015800 688.1818 2081.6685 1928.8136 111.4602 -206053.1462 17679.7597 0.0000 0.0000 34201.8402 -149361.4223 298.6932 -183563.2624 -149262.3217 299.1553 65.3185 98.6121 555935.4483 5.1432 4.8351 PRESSURE: 2016000 31.6306 -85.3712 -23.5786 -85.3703 15.2324 -6.7375 -23.5805 -6.73676 -160.809 GPRESSURE: 2016000 41.4919 -60.8256 -25.7563 -103.539 39.5334 -71.9005 -69.4513 86.2261 -81.8441 PRESSAVG: 2016000 12.4075 -44.8699 25.5008 -44.8699 -9.20148 32.4509 25.5008 32.4508 -16.8501 GPRESSAVG: 2016000 13.091 -46.5422 24.2507 -46.1675 -9.01634 30.5502 25.4423 36.7436 -17.3248 TIMING: 2016000 CPU: 6078.46, 0.00298434/step Wall: 6078.46, 0.00298434/step, 2.47369 hours remaining, 208.289062 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: 2016000 756.0656 2067.7369 1920.5339 124.3784 -206338.2614 17846.2931 0.0000 0.0000 34286.0385 -149337.2150 299.4285 -183623.2535 -149245.1427 298.9681 -37.9819 -0.2729 555967.7296 -4.5480 -4.4167 PRESSURE: 2016200 -201.99 -84.8603 -41.8172 -84.8599 -290.341 -93.2994 -41.8174 -93.2994 -229.895 GPRESSURE: 2016200 -215.843 14.0533 -30.4041 -126.078 -230.584 -101.851 -30.3182 -34.0357 -181.129 PRESSAVG: 2016200 -18.9823 -55.5887 -14.5617 -55.5886 16.657 31.4976 -14.5616 31.4976 10.5064 GPRESSAVG: 2016200 -18.7102 -57.1402 -12.5143 -54.1757 15.8336 31.4654 -16.5439 29.2982 10.8644 TIMING: 2016200 CPU: 6079.06, 0.00299002/step Wall: 6079.06, 0.00299002/step, 2.47823 hours remaining, 208.289062 MB of memory in use. ENERGY: 2016200 760.9423 2099.9716 1929.8424 118.4593 -206152.4548 17601.4761 0.0000 0.0000 34193.1313 -149448.6317 298.6171 -183641.7630 -149352.5869 299.1386 -240.7419 -209.1857 556793.5184 2.7270 2.6626 LDB: ============= START OF LOAD BALANCING ============== 6082.58 LDB: ============== END OF LOAD BALANCING =============== 6082.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6082.58 LDB: ============= START OF LOAD BALANCING ============== 6082.88 LDB: Largest compute 4772 load 0.029736 is 25.2% of average load 0.117937 LDB: Average compute 0.001732 is 1.5% of average load 0.117937 LDB: TIME 6082.89 LOAD: AVG 0.117937 MAX 0.206604 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.785 MB LDB: TIME 6082.89 LOAD: AVG 0.117937 MAX 0.206604 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.844 MB LDB: TIME 6082.89 LOAD: AVG 0.117937 MAX 0.206604 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.844 MB LDB: ============== END OF LOAD BALANCING =============== 6082.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6082.89 PRESSURE: 2016400 -184.21 25.3839 117.016 25.3833 -112.062 -131.523 117.017 -131.523 133.804 GPRESSURE: 2016400 -160.445 4.56807 93.67 63.6702 -60.1494 -167.788 89.5215 -124.589 155.452 PRESSAVG: 2016400 10.9267 -4.60747 -42.1777 -4.60753 21.7313 25.4688 -42.1778 25.4688 -1.04584 GPRESSAVG: 2016400 11.3164 -4.19679 -43.1378 -5.16234 22.6303 24.5838 -42.2358 27.0242 -2.07425 TIMING: 2016400 CPU: 6079.68, 0.00306678/step Wall: 6079.68, 0.00306678/step, 2.54168 hours remaining, 207.941406 MB of memory in use. ENERGY: 2016400 760.4928 2161.9090 1918.1406 122.4711 -206348.4038 17683.6539 0.0000 0.0000 34341.6599 -149360.0764 299.9143 -183701.7363 -149263.2743 299.0553 -54.1559 -21.7141 556348.1345 10.5374 10.6241 PRESSURE: 2016600 156.327 92.6938 100.662 92.6964 67.9853 -92.1572 100.662 -92.1558 103.855 GPRESSURE: 2016600 179.991 34.9652 46.15 93.3008 149.727 -103.892 85.3787 -139.901 123.168 PRESSAVG: 2016600 47.2079 45.3018 0.888416 45.3017 9.23841 23.6327 0.888417 23.6328 -17.8606 GPRESSAVG: 2016600 46.0311 46.2584 0.335897 44.0962 10.2805 25.2282 0.916506 22.7826 -17.3253 TIMING: 2016600 CPU: 6080.28, 0.00299793/step Wall: 6080.28, 0.00299793/step, 2.48445 hours remaining, 208.199219 MB of memory in use. ENERGY: 2016600 768.4682 2106.2541 1924.5956 120.6246 -206488.8726 18005.5552 0.0000 0.0000 34146.2677 -149417.1072 298.2078 -183563.3749 -149324.1136 299.3209 109.3890 150.9618 556465.8525 12.8619 12.9954 PRESSURE: 2016800 122.14 68.9755 10.788 68.9747 170.692 -0.0757847 10.7881 -0.0753769 -6.67341 GPRESSURE: 2016800 188.323 8.48762 18.6954 125.849 154.016 19.3097 4.24844 -85.4688 47.3475 PRESSAVG: 2016800 -3.70715 -4.77961 25.6182 -4.77954 3.31683 -22.4711 25.6182 -22.4711 27.7084 GPRESSAVG: 2016800 -2.91842 -4.7527 26.1459 -3.53125 1.75964 -23.7901 27.8318 -22.6069 29.0262 TIMING: 2016800 CPU: 6080.87, 0.00298385/step Wall: 6080.87, 0.00298385/step, 2.47262 hours remaining, 208.199219 MB of memory in use. ENERGY: 2016800 754.1460 2107.5065 1932.9233 118.1974 -206932.9249 18353.4029 0.0000 0.0000 34211.8121 -149454.9367 298.7803 -183666.7488 -149355.8361 298.6103 95.3863 129.8953 557851.6356 9.1060 9.2891 PRESSURE: 2017000 135.065 187.618 22.4182 187.62 -51.4174 -20.6397 22.418 -20.6396 273.037 GPRESSURE: 2017000 117.721 181.478 77.0689 244.858 13.8922 -8.47203 51.4156 -28.918 322.708 PRESSAVG: 2017000 30.4397 13.7966 -2.37929 13.7967 -54.373 -50.9574 -2.37931 -50.9573 32.7032 GPRESSAVG: 2017000 31.4668 13.4146 -3.46134 14.6196 -54.756 -51.2333 -2.0618 -52.0418 31.8287 TIMING: 2017000 CPU: 6081.48, 0.0030228/step Wall: 6081.48, 0.0030228/step, 2.50472 hours remaining, 208.199219 MB of memory in use. ENERGY: 2017000 760.0129 2147.8904 1928.1611 104.8789 -206198.4624 18042.4038 0.0000 0.0000 33928.3170 -149286.7983 296.3044 -183215.1154 -149187.8405 298.6281 118.8949 151.4406 557713.8377 2.9233 2.8465 PRESSURE: 2017200 -170.204 -51.1756 134.219 -51.175 -73.7267 64.3172 134.22 64.3175 -207.816 GPRESSURE: 2017200 -117.102 33.5792 46.6668 -26.2225 -53.7353 212.64 215.418 6.96983 -194.357 PRESSAVG: 2017200 5.10929 24.8516 -17.6671 24.8515 40.0833 42.3708 -17.6672 42.3708 23.5763 GPRESSAVG: 2017200 5.32315 25.2294 -15.7301 25.7602 41.404 40.5298 -18.8638 44.1792 22.1893 TIMING: 2017200 CPU: 6082.08, 0.00302371/step Wall: 6082.08, 0.00302371/step, 2.50531 hours remaining, 208.414062 MB of memory in use. ENERGY: 2017200 739.7550 2151.7852 1933.9529 114.8477 -206138.8076 17620.9050 0.0000 0.0000 34158.6718 -149418.8900 298.3162 -183577.5618 -149327.5581 298.8670 -150.5822 -121.7315 558248.0880 22.9230 22.9722 PRESSURE: 2017400 -16.4554 -59.1455 59.9014 -59.1449 -77.9761 -37.5009 59.9021 -37.5006 -51.0405 GPRESSURE: 2017400 -50.9743 -45.7048 96.4321 -84.6194 -35.0688 -0.808326 23.4735 -39.2966 47.9412 PRESSAVG: 2017400 -73.2128 -33.3188 -13.4802 -33.3188 -0.977131 31.5488 -13.4802 31.5489 30.4348 GPRESSAVG: 2017400 -74.2725 -33.9937 -17.578 -34.8287 -1.89943 34.1156 -12.977 31.4412 32.1138 TIMING: 2017400 CPU: 6082.69, 0.00302211/step Wall: 6082.69, 0.00302211/step, 2.50381 hours remaining, 208.414062 MB of memory in use. ENERGY: 2017400 786.7186 2148.9582 1924.0249 117.5165 -206413.5798 17860.6546 0.0000 0.0000 34084.5805 -149491.1265 297.6691 -183575.7070 -149402.0297 298.8843 -48.4907 -12.7006 557088.7290 -14.5850 -14.6860 PRESSURE: 2017600 -192.857 29.2735 -77.592 29.2747 -42.013 73.4291 -77.5932 73.4305 15.2189 GPRESSURE: 2017600 -149.112 53.2144 -96.3501 -6.69238 -5.87913 105.509 -74.4006 91.9161 30.3347 PRESSAVG: 2017600 -4.21331 -17.9037 38.6537 -17.9037 -6.11833 -81.7955 38.6537 -81.7958 10.8082 GPRESSAVG: 2017600 -4.96762 -18.8606 41.3358 -16.5855 -5.72867 -81.3474 37.9744 -82.8439 11.2216 TIMING: 2017600 CPU: 6083.29, 0.00300561/step Wall: 6083.29, 0.00300561/step, 2.48998 hours remaining, 208.414062 MB of memory in use. ENERGY: 2017600 767.0712 2123.4211 1949.0502 114.5105 -206143.9752 17831.1951 0.0000 0.0000 34094.5232 -149264.2039 297.7560 -183358.7272 -149167.3616 298.8665 -73.2172 -41.5522 557425.6530 0.1589 0.1751 PRESSURE: 2017800 -105.318 -36.6231 -114.918 -36.6235 -179.513 59.8191 -114.918 59.819 -35.9499 GPRESSURE: 2017800 -97.9363 -56.1256 -180.255 -70.4561 -150.204 165.311 -107.402 50.5051 19.9064 PRESSAVG: 2017800 23.5221 46.801 2.02939 46.801 -101.711 39.1672 2.0293 39.1672 105.123 GPRESSAVG: 2017800 23.6402 47.8999 1.2755 44.7443 -101.902 40.3969 1.2132 39.5842 104.8 TIMING: 2017800 CPU: 6083.89, 0.00301241/step Wall: 6083.89, 0.00301241/step, 2.49545 hours remaining, 208.414062 MB of memory in use. ENERGY: 2017800 764.5123 2120.0382 1916.8295 118.6470 -205737.4212 17735.3214 0.0000 0.0000 33977.4952 -149104.5776 296.7339 -183082.0728 -149008.3146 299.2422 -106.9269 -76.0779 559176.2311 8.9781 8.8461 PRESSURE: 2018000 -146.533 -45.1141 -50.6989 -45.1142 -271.809 9.79108 -50.6989 9.79011 -114.869 GPRESSURE: 2018000 -76.7725 -29.5375 -70.6514 -88.3667 -254.792 91.9123 -46.7356 -7.2452 -89.4419 PRESSAVG: 2018000 -32.305 25.4238 -11.8631 25.4239 -35.0331 -24.3241 -11.8631 -24.324 20.5024 GPRESSAVG: 2018000 -32.2783 23.7679 -11.3573 25.7175 -34.6124 -25.149 -11.2178 -24.2303 20.4409 TIMING: 2018000 CPU: 6084.49, 0.00300158/step Wall: 6084.49, 0.00300158/step, 2.48631 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: 2018000 722.0604 2153.5779 1899.9851 102.2088 -206198.1698 17793.4263 0.0000 0.0000 34238.9975 -149287.9138 299.0177 -183526.9113 -149189.2018 298.8910 -177.7370 -140.3355 560369.3563 -15.6119 -15.4833 PRESSURE: 2018200 134.533 63.9641 -189.073 63.9624 -218.219 30.2861 -189.073 30.285 46.4607 GPRESSURE: 2018200 175.852 98.2962 -209.513 91.8059 -172.204 -68.2459 -122.108 105.434 58.2711 PRESSAVG: 2018200 1.44257 7.15218 -20.9328 7.15217 -21.5052 -5.99058 -20.9327 -5.99054 50.09 GPRESSAVG: 2018200 0.89318 11.2908 -19.7847 5.95198 -21.1566 -8.45571 -21.976 -7.30629 51.0947 TIMING: 2018200 CPU: 6085.09, 0.00298182/step Wall: 6085.09, 0.00298182/step, 2.46977 hours remaining, 208.414062 MB of memory in use. ENERGY: 2018200 742.1468 2141.9033 1916.7267 122.3090 -206352.2146 17820.2448 0.0000 0.0000 34314.9331 -149293.9509 299.6808 -183608.8840 -149187.3530 299.5282 -12.4084 20.6395 558844.0712 10.0091 10.2771 PRESSURE: 2018400 19.7619 63.1676 66.325 63.1672 112.157 -108.844 66.3254 -108.844 42.616 GPRESSURE: 2018400 77.472 100.986 14.1463 40.8709 113.553 -4.54924 132.924 -170.586 98.9528 PRESSAVG: 2018400 -32.2301 0.539627 35.6485 0.539618 -3.55835 -44.9512 35.6484 -44.9513 1.31492 GPRESSAVG: 2018400 -32.3329 0.0697187 32.9926 1.21622 -3.4985 -43.4416 37.7612 -45.9961 0.51676 TIMING: 2018400 CPU: 6085.69, 0.00299277/step Wall: 6085.69, 0.00299277/step, 2.47868 hours remaining, 208.414062 MB of memory in use. ENERGY: 2018400 798.6830 2104.5089 1940.8130 104.8938 -206755.0432 18122.0168 0.0000 0.0000 34353.0727 -149331.0549 300.0139 -183684.1276 -149239.0377 299.6306 58.1782 96.6593 557282.7512 -11.4912 -11.7716 PRESSURE: 2018600 -120.121 129.798 -28.9166 129.798 246.493 -14.5984 -28.9164 -14.5987 121.558 GPRESSURE: 2018600 -28.6649 94.4168 32.8837 70.2637 243.002 -32.6501 -74.9374 11.6239 132.818 PRESSAVG: 2018600 -67.4435 12.9622 12.6026 12.9623 67.5646 25.1415 12.6026 25.1415 15.5667 GPRESSAVG: 2018600 -66.8284 12.2371 14.5221 13.0555 65.87 23.5241 11.2753 27.7449 16.5573 TIMING: 2018600 CPU: 6086.28, 0.00299242/step Wall: 6086.28, 0.00299242/step, 2.47822 hours remaining, 208.414062 MB of memory in use. ENERGY: 2018600 768.8829 2135.8448 1925.0323 122.5096 -206366.7464 17859.1720 0.0000 0.0000 34355.2242 -149200.0805 300.0327 -183555.3047 -149101.0952 299.6666 82.6433 115.7182 558934.9122 5.2292 5.1996 PRESSURE: 2018800 41.8622 137.952 -47.0851 137.952 33.444 -154.66 -47.085 -154.661 190.047 GPRESSURE: 2018800 84.7531 137.844 -10.0844 79.5852 34.3114 -166.471 -35.7898 -93.0081 271.628 PRESSAVG: 2018800 -7.79111 42.8753 -5.66593 42.8753 70.5187 -11.5719 -5.66591 -11.572 -2.58031 GPRESSAVG: 2018800 -8.7712 41.9916 -7.90269 43.3488 72.0424 -12.4823 -4.28061 -11.9225 -3.71367 TIMING: 2018800 CPU: 6086.88, 0.00300223/step Wall: 6086.88, 0.00300223/step, 2.48618 hours remaining, 208.414062 MB of memory in use. ENERGY: 2018800 760.6471 2121.9881 1962.0791 109.6693 -206765.3623 18164.3624 0.0000 0.0000 34359.6353 -149286.9809 300.0712 -183646.6163 -149188.3463 299.7342 88.4510 130.2309 558385.7906 20.0491 19.8525 PRESSURE: 2019000 -275.367 -168.65 -22.3595 -168.651 -322.976 68.6719 -22.3591 68.671 -131.545 GPRESSURE: 2019000 -306.557 -154.05 72.9812 -147.595 -235.953 19.5359 -57.8739 34.6597 -88.1372 PRESSAVG: 2019000 -57.276 18.3266 -29.8013 18.3266 88.517 -1.51066 -29.8013 -1.51057 -59.2469 GPRESSAVG: 2019000 -56.8289 19.9028 -29.3038 18.8926 88.3241 0.545832 -29.2937 -1.88405 -59.84 TIMING: 2019000 CPU: 6087.49, 0.00303088/step Wall: 6087.49, 0.00303088/step, 2.50973 hours remaining, 208.414062 MB of memory in use. ENERGY: 2019000 766.6401 2127.2991 1910.0819 111.8630 -206015.4599 17423.8777 0.0000 0.0000 34273.3759 -149402.3223 299.3179 -183675.6981 -149304.8653 299.3347 -243.2961 -210.2159 558402.8245 -9.3353 -9.4483 PRESSURE: 2019200 50.5472 87.8016 149.106 87.8018 68.0863 -146.656 149.109 -146.656 -68.1392 GPRESSURE: 2019200 51.351 128.975 186.418 61.0299 101.329 -169.265 168.12 -120.055 -15.8868 PRESSAVG: 2019200 -17.1822 -23.2888 49.8041 -23.2888 8.54155 -28.1108 49.8041 -28.1109 20.7891 GPRESSAVG: 2019200 -17.7853 -24.9252 50.3216 -24.411 8.08227 -26.6134 48.4119 -28.1864 22.2077 TIMING: 2019200 CPU: 6088.1, 0.00303464/step Wall: 6088.1, 0.00303464/step, 2.51268 hours remaining, 208.414062 MB of memory in use. ENERGY: 2019200 750.2806 2174.4212 1945.3761 118.7566 -206358.4917 17935.8387 0.0000 0.0000 34138.9471 -149294.8714 298.1439 -183433.8186 -149195.5931 298.2059 16.8314 45.5978 557250.3473 4.0495 4.1682 PRESSURE: 2019400 21.0831 95.5889 -9.10508 95.5887 -12.975 -130.98 -9.10547 -130.98 396.755 GPRESSURE: 2019400 59.5567 108.672 17.9515 65.9658 -0.196571 -105.139 -27.577 -107.923 434.683 PRESSAVG: 2019400 -22.1214 -4.73557 15.0865 -4.73566 -40.8995 25.1264 15.0863 25.1264 71.9948 GPRESSAVG: 2019400 -20.7476 -5.84759 16.6218 -6.19713 -40.034 24.868 13.3352 24.351 70.8582 TIMING: 2019400 CPU: 6088.7, 0.00300767/step Wall: 6088.7, 0.00300767/step, 2.49018 hours remaining, 208.414062 MB of memory in use. ENERGY: 2019400 720.5791 2124.7327 1957.8777 109.9977 -206564.6883 17940.3756 0.0000 0.0000 34439.4976 -149271.6280 300.7687 -183711.1256 -149174.1912 299.1186 134.9542 164.6810 557724.8909 2.9913 3.3589 PRESSURE: 2019600 -204.515 126.806 108 126.805 -176.798 10.4068 107.999 10.4074 -142.112 GPRESSURE: 2019600 -187.187 92.2586 114.918 209.031 -123.552 63.0441 133.634 -56.5276 -129.934 PRESSAVG: 2019600 -59.4906 89.9399 51.4488 89.9399 24.6256 -29.6357 51.4488 -29.6356 21.6493 GPRESSAVG: 2019600 -59.4723 89.7962 50.7592 91.9629 23.7371 -28.8779 53.0834 -32.2171 21.8424 TIMING: 2019600 CPU: 6089.3, 0.00298965/step Wall: 6089.3, 0.00298965/step, 2.4751 hours remaining, 208.414062 MB of memory in use. ENERGY: 2019600 754.9228 2142.8191 1899.4663 115.7971 -206432.1162 17608.4971 0.0000 0.0000 34495.6146 -149414.9993 301.2588 -183910.6139 -149316.4916 299.5944 -174.4749 -146.8908 557188.6634 -4.4052 -4.6309 PRESSURE: 2019800 -130.1 -98.6194 7.23194 -98.6181 -75.6914 -5.70671 7.23182 -5.70581 -71.7368 GPRESSURE: 2019800 -110.086 -55.5262 -80.5944 -24.0879 -52.6473 71.2576 27.3174 -12.3748 -27.0649 PRESSAVG: 2019800 -55.8721 54.2112 -56.2835 54.2113 44.5555 -35.5341 -56.2836 -35.5342 10.3383 GPRESSAVG: 2019800 -55.8997 55.5871 -57.1221 55.2009 44.5478 -36.5063 -56.1309 -32.5002 9.71338 TIMING: 2019800 CPU: 6089.9, 0.00300702/step Wall: 6089.9, 0.00300702/step, 2.48931 hours remaining, 208.414062 MB of memory in use. ENERGY: 2019800 749.7789 2120.3696 1929.6615 107.8944 -206208.9752 17695.4374 0.0000 0.0000 34116.5575 -149489.2758 297.9484 -183605.8333 -149394.3604 299.1025 -92.5093 -63.2662 558798.3880 -0.3261 -0.5462 PRESSURE: 2020000 -123.936 -41.6026 72.3879 -41.602 39.7893 -153.932 72.3877 -153.933 91.8403 GPRESSURE: 2020000 -44.2282 -112.112 4.01938 -134.812 36.2828 -245.714 35.6381 -123.563 118.758 PRESSAVG: 2020000 -8.4266 2.97718 -25.2221 2.97714 19.8466 0.609135 -25.2223 0.60908 -11.9712 GPRESSAVG: 2020000 -8.32828 1.54556 -24.3607 2.98222 19.2141 -1.09717 -26.0816 1.72729 -11.5582 TIMING: 2020000 CPU: 6090.5, 0.00300189/step Wall: 6090.5, 0.00300189/step, 2.4849 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: 2020000 725.4046 2114.8478 1930.5467 122.2416 -206193.1558 17736.1429 0.0000 0.0000 34144.9985 -149418.9734 298.1968 -183563.9720 -149320.7953 299.2605 2.5644 36.9376 556538.1427 -0.1837 -0.2241 PRESSURE: 2020200 -99.528 162.218 -198.647 162.219 -354.551 94.7161 -198.648 94.715 -189.272 GPRESSURE: 2020200 -88.2063 127.044 -180.954 154.587 -311.739 131.688 -103.346 0.121596 -150.609 PRESSAVG: 2020200 21.4373 16.4547 -22.7796 16.4546 -7.67075 -28.5758 -22.7796 -28.5758 27.1414 GPRESSAVG: 2020200 21.5835 17.892 -23.5727 16.2558 -8.20125 -26.9781 -20.64 -29.924 27.4515 TIMING: 2020200 CPU: 6091.09, 0.00297731/step Wall: 6091.09, 0.00297731/step, 2.46438 hours remaining, 208.414062 MB of memory in use. ENERGY: 2020200 740.2585 2092.4945 1920.9039 115.9569 -206353.1505 17660.5681 0.0000 0.0000 34346.4685 -149476.5000 299.9563 -183822.9685 -149374.2058 299.2245 -214.4503 -183.5182 558099.3698 13.6360 13.6113 LDB: ============= START OF LOAD BALANCING ============== 6094.61 LDB: ============== END OF LOAD BALANCING =============== 6094.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6094.61 LDB: ============= START OF LOAD BALANCING ============== 6094.91 LDB: Largest compute 4772 load 0.030502 is 25.8% of average load 0.118028 LDB: Average compute 0.001734 is 1.5% of average load 0.118028 LDB: TIME 6094.91 LOAD: AVG 0.118028 MAX 0.205167 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 6094.91 LOAD: AVG 0.118028 MAX 0.205167 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.449 MB LDB: TIME 6094.91 LOAD: AVG 0.118028 MAX 0.205167 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.449 MB LDB: ============== END OF LOAD BALANCING =============== 6094.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6094.92 PRESSURE: 2020400 120.886 17.1174 -76.3903 17.1188 -50.6747 94.8963 -76.3901 94.8956 252.965 GPRESSURE: 2020400 157.279 62.9656 -68.2377 -39.5888 -3.92567 169.984 -89.9872 41.9288 263.235 PRESSAVG: 2020400 72.3286 5.45752 -0.395581 5.45752 6.15213 3.63655 -0.395533 3.63647 -62.7012 GPRESSAVG: 2020400 70.7132 5.1941 -0.233177 4.69927 7.58492 4.74372 -2.48008 6.37419 -62.7874 TIMING: 2020400 CPU: 6091.7, 0.00302482/step Wall: 6091.7, 0.00302482/step, 2.50354 hours remaining, 211.101562 MB of memory in use. ENERGY: 2020400 744.2048 2146.5645 1907.8897 119.8118 -206621.2842 18022.6873 0.0000 0.0000 34209.6287 -149470.4975 298.7612 -183680.1261 -149376.9566 299.1095 107.7253 138.8629 556702.4055 5.2598 5.1702 PRESSURE: 2020600 -6.65917 132.196 36.378 132.196 -171.02 81.6998 36.3784 81.7006 89.6531 GPRESSURE: 2020600 15.9795 80.1146 -29.2975 168.578 -112.439 35.0099 78.2203 78.1961 96.5561 PRESSAVG: 2020600 -37.5097 -24.4961 -8.68439 -24.4961 -19.1868 -16.6476 -8.68442 -16.6477 64.5812 GPRESSAVG: 2020600 -36.8463 -25.3262 -9.52811 -24.8509 -19.6706 -16.5645 -6.34991 -20.1652 64.2486 TIMING: 2020600 CPU: 6092.3, 0.00298886/step Wall: 6092.3, 0.00298886/step, 2.47362 hours remaining, 211.304688 MB of memory in use. ENERGY: 2020600 770.9097 2165.0562 1940.8839 101.9845 -206438.3973 17774.5931 0.0000 0.0000 34202.1606 -149482.8094 298.6960 -183684.9700 -149379.8149 299.1796 -29.3421 0.0322 558107.2115 2.6282 2.5772 PRESSURE: 2020800 103.876 -55.7617 -27.3377 -55.7617 9.76795 -49.5625 -27.3378 -49.5636 -50.4081 GPRESSURE: 2020800 120.398 -58.0847 -3.06912 22.8509 7.44214 -97.579 -61.2874 -42.3568 31.3996 PRESSAVG: 2020800 11.2517 -17.0518 -52.6422 -17.0517 -36.681 20.7994 -52.6422 20.7995 -8.00627 GPRESSAVG: 2020800 12.0564 -17.7404 -52.989 -15.7502 -37.2757 22.1934 -54.354 20.3732 -8.13818 TIMING: 2020800 CPU: 6092.9, 0.0030075/step Wall: 6092.9, 0.0030075/step, 2.48887 hours remaining, 211.304688 MB of memory in use. ENERGY: 2020800 745.2047 2125.4199 1961.4883 109.1006 -206548.0245 18071.0177 0.0000 0.0000 34024.2934 -149511.4999 297.1426 -183535.7933 -149414.7255 298.5674 21.0786 53.0800 557074.8747 -11.1452 -11.1192 PRESSURE: 2021000 -124.749 1.89365 6.39602 1.89292 147.099 -89.3043 6.39683 -89.305 -144.77 GPRESSURE: 2021000 -117.071 -9.51419 -19.6193 63.8589 185.414 -157.66 34.2837 -77.3016 -93.487 PRESSAVG: 2021000 -22.8992 39.836 -74.0229 39.8359 -29.4548 -9.66953 -74.0229 -9.66953 45.756 GPRESSAVG: 2021000 -24.584 38.6829 -74.34 40.6562 -29.003 -11.2383 -74.4161 -7.44285 46.3596 TIMING: 2021000 CPU: 6093.5, 0.00302428/step Wall: 6093.5, 0.00302428/step, 2.50259 hours remaining, 211.304688 MB of memory in use. ENERGY: 2021000 768.3417 2169.4879 1938.4760 115.7969 -206496.0111 17839.0188 0.0000 0.0000 34062.8844 -149602.0054 297.4796 -183664.8898 -149510.9950 298.2341 -40.8066 -8.3814 556715.4026 -2.1993 -2.4091 PRESSURE: 2021200 75.6121 -36.5128 -27.014 -36.5133 -62.0914 173.134 -27.014 173.135 240.662 GPRESSURE: 2021200 182.278 -83.8527 -42.5798 30.6333 -101.356 202.07 -67.4826 162.625 272.832 PRESSAVG: 2021200 54.4848 29.7377 -20.8954 29.7376 3.53406 -7.69485 -20.8955 -7.69489 -34.7621 GPRESSAVG: 2021200 54.9326 29.6381 -20.203 29.0335 3.34696 -8.16514 -22.1444 -7.98227 -35.6643 TIMING: 2021200 CPU: 6094.1, 0.00300351/step Wall: 6094.1, 0.00300351/step, 2.48524 hours remaining, 211.304688 MB of memory in use. ENERGY: 2021200 772.4349 2115.2963 1918.9739 122.4337 -207048.2738 18206.2526 0.0000 0.0000 34028.2895 -149884.5929 297.1775 -183912.8824 -149787.3010 297.8894 84.7277 117.9181 557543.6257 7.7522 7.5384 PRESSURE: 2021400 -63.4598 101.545 110.611 101.545 -201.872 133.164 110.613 133.163 -501.217 GPRESSURE: 2021400 -43.6498 104.192 61.3487 120.009 -150.499 91.6481 131.909 143.528 -472.947 PRESSAVG: 2021400 75.1589 64.1204 63.78 64.1204 -0.740328 54.8092 63.78 54.8092 -136.566 GPRESSAVG: 2021400 75.0114 66.7878 63.8212 62.4424 0.30301 54.7089 65.852 53.7874 -136.908 TIMING: 2021400 CPU: 6094.7, 0.00300558/step Wall: 6094.7, 0.00300558/step, 2.48678 hours remaining, 211.304688 MB of memory in use. ENERGY: 2021400 768.8772 2088.1346 1910.1619 131.5274 -206486.4688 17792.6640 0.0000 0.0000 34073.2629 -149721.8409 297.5703 -183795.1038 -149628.0156 297.1741 -255.5160 -222.3654 560488.4616 -20.7158 -20.5313 PRESSURE: 2021600 -78.0186 -73.9707 85.1181 -73.9716 -454.715 -6.24871 85.1172 -6.24938 -132.425 GPRESSURE: 2021600 -61.7202 -146.178 7.83581 -41.8019 -363.041 93.2789 126.3 -26.2759 -130.653 PRESSAVG: 2021600 41.3393 24.7901 36.5368 24.7901 -20.1282 67.2111 36.5368 67.2111 13.6722 GPRESSAVG: 2021600 41.5767 24.1091 35.9329 24.8944 -21.0203 67.7442 36.7823 67.8064 14.3313 TIMING: 2021600 CPU: 6095.31, 0.00301064/step Wall: 6095.31, 0.00301064/step, 2.49081 hours remaining, 211.304688 MB of memory in use. ENERGY: 2021600 734.6914 2081.2213 1914.6368 121.7950 -206213.4720 17628.8697 0.0000 0.0000 34001.5157 -149730.7421 296.9437 -183732.2578 -149637.2450 297.4763 -221.7195 -185.1382 558731.1425 11.6278 11.6293 PRESSURE: 2021800 -71.9349 235.666 -159.855 235.666 -27.7882 3.1654 -159.855 3.16635 66.9243 GPRESSURE: 2021800 -47.8002 265.601 -92.9729 194.155 74.7085 78.4588 -164.551 -65.3431 27.5611 PRESSAVG: 2021800 5.71321 -55.2555 -9.2944 -55.2556 -39.9522 20.1754 -9.29447 20.1755 34.134 GPRESSAVG: 2021800 6.11625 -56.1378 -8.72868 -55.5685 -40.8043 20.282 -10.1607 18.0852 34.6258 TIMING: 2021800 CPU: 6095.91, 0.00300022/step Wall: 6095.91, 0.00300022/step, 2.48201 hours remaining, 211.304688 MB of memory in use. ENERGY: 2021800 752.1105 2091.8053 1923.2725 115.9327 -206772.6966 18033.9577 0.0000 0.0000 34185.9306 -149669.6872 298.5542 -183855.6178 -149579.6575 297.7085 -10.9329 18.1565 559279.9954 -0.0350 -0.0207 PRESSURE: 2022000 -76.4104 32.2555 67.0625 32.2542 -7.26519 -184.813 67.0617 -184.814 70.549 GPRESSURE: 2022000 -70.5507 22.6752 112.636 -29.6465 -13.3798 -193.722 11.5514 -254.412 184.189 PRESSAVG: 2022000 -54.815 6.1411 -13.3263 6.14111 23.7148 -21.9042 -13.3263 -21.9041 25.6625 GPRESSAVG: 2022000 -55.4004 6.72742 -12.7112 6.49584 24.5397 -21.6366 -14.7746 -19.5913 26.0801 TIMING: 2022000 CPU: 6096.51, 0.00299553/step Wall: 6096.51, 0.00299553/step, 2.47797 hours remaining, 211.304688 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: 2022000 748.3983 2117.6296 1912.9607 110.1505 -206506.3746 17845.0851 0.0000 0.0000 34078.6966 -149693.4539 297.6177 -183772.1505 -149593.8913 298.3331 -4.3755 33.4194 558359.1029 -1.8125 -1.5936 PRESSURE: 2022200 -118.71 50.1213 -21.0588 50.1197 167.094 47.6059 -21.0587 47.6053 -48.4185 GPRESSURE: 2022200 -118.681 69.7172 28.936 90.226 167.575 55.053 12.6828 68.5711 39.1196 PRESSAVG: 2022200 -18.7421 -12.0396 -20.6961 -12.0395 3.42203 -45.1602 -20.6962 -45.1601 -18.5674 GPRESSAVG: 2022200 -17.3069 -12.4807 -21.0468 -12.2174 2.78547 -46.0333 -20.0292 -44.8504 -18.7219 TIMING: 2022200 CPU: 6097.1, 0.00298373/step Wall: 6097.1, 0.00298373/step, 2.46805 hours remaining, 211.304688 MB of memory in use. ENERGY: 2022200 765.5435 2076.2719 1919.3648 109.4269 -206382.1513 17888.0506 0.0000 0.0000 34248.4508 -149375.0429 299.1002 -183623.4937 -149281.8302 298.3514 -0.0117 29.3379 558079.8288 -11.2958 -11.0811 PRESSURE: 2022400 -88.423 -61.1744 -181.79 -61.1743 102.851 -69.2723 -181.79 -69.2703 -22.8695 GPRESSURE: 2022400 -33.1029 -90.6234 -256.387 -25.7965 146.054 -86.5962 -106.581 -116.5 -27.6438 PRESSAVG: 2022400 -10.0965 -49.2312 -13.9955 -49.231 52.2324 -3.46236 -13.9956 -3.46236 -35.3108 GPRESSAVG: 2022400 -10.8372 -49.475 -13.6006 -47.7983 52.303 -1.85193 -12.951 -3.04408 -34.8597 TIMING: 2022400 CPU: 6097.7, 0.00299588/step Wall: 6097.7, 0.00299588/step, 2.47792 hours remaining, 211.304688 MB of memory in use. ENERGY: 2022400 724.5598 2128.1904 1926.2658 115.7254 -206635.7563 17884.6346 0.0000 0.0000 34365.8400 -149490.5402 300.1254 -183856.3802 -149386.4947 299.1112 -2.8137 28.4357 557045.8860 2.2750 2.2020 PRESSURE: 2022600 -39.0719 29.6525 -74.2764 29.6514 -139.305 110.204 -74.2766 110.202 -291.155 GPRESSURE: 2022600 -9.94933 57.0867 -125.989 11.8518 -119.1 75.7676 3.18093 65.9626 -229.06 PRESSAVG: 2022600 57.659 2.78434 16.987 2.78441 30.2219 -4.66072 16.987 -4.66067 -63.0352 GPRESSAVG: 2022600 56.6046 0.669731 14.9833 3.73399 30.6544 -7.06329 17.8267 -3.34145 -62.9499 TIMING: 2022600 CPU: 6098.31, 0.00302655/step Wall: 6098.31, 0.00302655/step, 2.50312 hours remaining, 211.304688 MB of memory in use. ENERGY: 2022600 751.2197 2026.4673 1915.9208 105.5275 -205945.1585 17459.0910 0.0000 0.0000 34232.3372 -149454.5951 298.9595 -183686.9323 -149354.5408 299.3695 -156.5107 -119.3699 556836.2528 8.2819 8.1030 PRESSURE: 2022800 9.69104 20.713 14.2434 20.7133 -82.262 144.894 14.2421 144.894 -15.4871 GPRESSURE: 2022800 50.8893 37.6132 49.9055 -72.7301 -25.6898 118.687 -15.3786 67.1326 -10.6532 PRESSAVG: 2022800 76.8124 17.0821 -35.35 17.082 -18.8737 46.6858 -35.35 46.6858 -60.58 GPRESSAVG: 2022800 78.2497 17.2369 -34.9416 15.1577 -19.7748 49.067 -34.4105 43.8911 -60.71 TIMING: 2022800 CPU: 6098.91, 0.00300683/step Wall: 6098.91, 0.00300683/step, 2.48665 hours remaining, 211.304688 MB of memory in use. ENERGY: 2022800 742.5228 2086.2738 1929.5986 110.5559 -206343.3069 17933.0009 0.0000 0.0000 34067.2658 -149474.0892 297.5179 -183541.3550 -149386.1665 298.8099 -29.3527 4.8487 558405.3328 -0.8804 -0.7450 PRESSURE: 2023000 178.095 -121.082 -12.4987 -121.083 23.8071 -182.224 -12.4992 -182.225 95.1901 GPRESSURE: 2023000 224.445 -145.026 -41.5578 -71.0489 78.8369 -211.014 3.83775 -121.875 88.2464 PRESSAVG: 2023000 48.5076 19.833 -32.7588 19.8331 -13.154 -15.3419 -32.7588 -15.3418 -15.3391 GPRESSAVG: 2023000 48.0351 21.2277 -31.581 20.8443 -12.7236 -14.7615 -32.0966 -15.2181 -15.408 TIMING: 2023000 CPU: 6099.51, 0.0030071/step Wall: 6099.51, 0.0030071/step, 2.4867 hours remaining, 211.304688 MB of memory in use. ENERGY: 2023000 719.9679 2136.5119 1930.2394 114.4826 -206301.6755 17817.0605 0.0000 0.0000 34075.1399 -149508.2733 297.5867 -183583.4132 -149414.5313 298.0270 99.0306 130.5095 557807.1928 6.6715 6.6345 PRESSURE: 2023200 -363.401 -12.1391 -21.5096 -12.1376 -388.837 58.0006 -21.5094 57.9997 -187.232 GPRESSURE: 2023200 -364.313 20.8929 -20.9629 -76.3523 -362.008 -65.531 -112.832 88.1707 -119.492 PRESSAVG: 2023200 -39.6519 14.6815 -24.1377 14.6815 -3.43965 -7.62896 -24.1377 -7.62899 -9.75922 GPRESSAVG: 2023200 -40.9687 13.9368 -25.5597 13.4291 -2.83953 -10.2702 -27.1834 -5.95826 -8.66946 TIMING: 2023200 CPU: 6100.11, 0.00299098/step Wall: 6100.11, 0.00299098/step, 2.47321 hours remaining, 211.304688 MB of memory in use. ENERGY: 2023200 717.9285 2044.0353 1920.0351 99.3467 -205840.7083 17356.4220 0.0000 0.0000 34078.2941 -149624.6465 297.6142 -183702.9406 -149519.2271 297.7898 -313.1567 -281.9379 559976.2915 -17.6169 -17.4926 PRESSURE: 2023400 153.227 153.7 35.5136 153.701 -135.572 23.5784 35.5141 23.5794 44.2524 GPRESSURE: 2023400 163.694 154.346 45.6903 129.425 -93.3211 75.8716 -17.0497 15.6037 83.6978 PRESSAVG: 2023400 -73.957 -7.0563 9.18089 -7.05631 -46.1413 -17.373 9.18081 -17.3729 14.427 GPRESSAVG: 2023400 -73.0945 -7.1962 10.5957 -5.05622 -45.8679 -16.0306 9.02589 -19.1489 13.2732 TIMING: 2023400 CPU: 6100.71, 0.00301293/step Wall: 6100.71, 0.00301293/step, 2.49119 hours remaining, 211.304688 MB of memory in use. ENERGY: 2023400 713.1503 2106.3671 1928.3569 100.1014 -206223.4862 17807.3301 0.0000 0.0000 34085.6930 -149482.4874 297.6788 -183568.1804 -149386.4937 298.1480 20.6358 51.3569 557077.0420 -35.2237 -35.2297 PRESSURE: 2023600 466.452 2.73956 -45.5152 2.7395 -144.147 -8.25852 -45.5148 -8.25821 99.6887 GPRESSURE: 2023600 408.977 -1.04939 -16.3248 -5.68696 -42.3773 -37.4301 8.06089 -31.0721 154.399 PRESSAVG: 2023600 52.5964 43.6371 60.738 43.637 -40.1165 38.7622 60.7381 38.7621 -0.576717 GPRESSAVG: 2023600 52.908 45.6362 59.1102 41.0867 -41.5426 37.9812 61.0571 40.6449 0.747862 TIMING: 2023600 CPU: 6101.31, 0.00300128/step Wall: 6101.31, 0.00300128/step, 2.48139 hours remaining, 211.304688 MB of memory in use. ENERGY: 2023600 743.9911 2042.3614 1947.2957 114.0913 -207057.9181 18287.6760 0.0000 0.0000 34345.1819 -149577.3207 299.9450 -183922.5026 -149483.2350 298.0787 140.6646 173.6660 557558.6736 3.9677 4.0377 PRESSURE: 2023800 68.0206 -123.588 -218.871 -123.589 -102.669 -48.1035 -218.872 -48.1028 -30.7501 GPRESSURE: 2023800 57.7196 -151.2 -193.856 -55.19 -46.6907 -2.95039 -265.646 -126.269 38.1274 PRESSAVG: 2023800 10.6398 -19.6419 27.6791 -19.6418 -49.1373 -4.34371 27.679 -4.34367 1.88358 GPRESSAVG: 2023800 9.27372 -22.9516 28.0549 -18.186 -48.0296 -3.02582 28.1792 -5.62929 1.30403 TIMING: 2023800 CPU: 6101.91, 0.00298188/step Wall: 6101.91, 0.00298188/step, 2.46518 hours remaining, 211.304688 MB of memory in use. ENERGY: 2023800 722.0663 2113.7317 1959.0630 110.5510 -206341.9713 17753.1386 0.0000 0.0000 34057.4239 -149625.9969 297.4320 -183683.4208 -149525.6263 297.6724 -21.7994 16.3854 557616.1185 -12.2047 -12.4839 PRESSURE: 2024000 270.507 85.5149 150.294 85.5149 101.272 -94.5602 150.294 -94.5611 162.538 GPRESSURE: 2024000 250.817 84.0175 173.312 66.835 125.638 -115.233 170.767 -89.8266 261.083 PRESSAVG: 2024000 9.76238 5.63048 10.303 5.63059 52.8028 2.51239 10.3029 2.51239 24.9413 GPRESSAVG: 2024000 9.58952 6.46938 10.9411 5.80646 52.7567 0.131639 10.1037 3.33584 25.2022 TIMING: 2024000 CPU: 6102.5, 0.0029797/step Wall: 6102.5, 0.0029797/step, 2.46322 hours remaining, 211.304688 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: 2024000 710.0408 2141.5394 1929.2578 94.9404 -206736.1581 18161.5526 0.0000 0.0000 34160.0963 -149538.7308 298.3286 -183698.8272 -149439.9500 298.4432 178.1055 212.5128 556977.4286 29.1689 29.1828 PRESSURE: 2024200 -263.095 -228.882 29.3827 -228.883 79.5212 93.0529 29.3828 93.0528 -125.846 GPRESSURE: 2024200 -234.565 -168.334 88.0289 -233.825 133.818 121.908 -61.0418 55.927 -117.963 PRESSAVG: 2024200 14.6697 -33.2646 -11.8607 -33.2646 79.8893 1.11586 -11.8608 1.11574 -66.8125 GPRESSAVG: 2024200 15.6425 -32.2945 -11.902 -34.4003 80.0837 2.36175 -9.76036 2.43772 -68.0436 TIMING: 2024200 CPU: 6103.1, 0.00297148/step Wall: 6103.1, 0.00297148/step, 2.45626 hours remaining, 211.304688 MB of memory in use. ENERGY: 2024200 719.4167 2099.7157 1898.1427 120.8683 -206129.4000 17779.0288 0.0000 0.0000 34079.6006 -149432.6272 297.6256 -183512.2278 -149339.3252 298.5080 -103.1400 -72.9033 559028.2361 9.2489 9.2275 LDB: ============= START OF LOAD BALANCING ============== 6106.61 LDB: ============== END OF LOAD BALANCING =============== 6106.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6106.61 LDB: ============= START OF LOAD BALANCING ============== 6106.91 LDB: Largest compute 4772 load 0.028298 is 24.0% of average load 0.118092 LDB: Average compute 0.001737 is 1.5% of average load 0.118092 LDB: TIME 6106.91 LOAD: AVG 0.118092 MAX 0.204068 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.504 MB LDB: TIME 6106.91 LOAD: AVG 0.118092 MAX 0.204068 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.504 MB LDB: TIME 6106.91 LOAD: AVG 0.118092 MAX 0.204068 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.504 MB LDB: ============== END OF LOAD BALANCING =============== 6106.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6106.92 PRESSURE: 2024400 -29.0198 132.171 -35.6453 132.172 -44.6296 33.4751 -35.6455 33.4737 -7.76723 GPRESSURE: 2024400 38.775 105.854 66.573 219.818 -65.9253 -3.50307 -61.0075 119.844 43.1847 PRESSAVG: 2024400 -24.2051 -8.65704 29.7496 -8.65701 22.3155 -36.1004 29.7495 -36.1004 -3.27205 GPRESSAVG: 2024400 -24.0575 -7.34219 32.9731 -10.3413 20.6226 -36.7563 26.1951 -37.3971 -1.41048 TIMING: 2024400 CPU: 6103.7, 0.00303314/step Wall: 6103.7, 0.00303314/step, 2.50706 hours remaining, 208.843750 MB of memory in use. ENERGY: 2024400 735.2906 2061.6120 1923.9118 110.2926 -206411.0762 17849.3583 0.0000 0.0000 34265.4434 -149465.1675 299.2486 -183730.6109 -149370.2560 298.7798 -27.1389 5.3448 557881.7406 -1.7206 -1.6151 PRESSURE: 2024600 202.191 -75.8283 45.697 -75.8279 126.687 -13.5277 45.6973 -13.5279 130.165 GPRESSURE: 2024600 262.669 -74.6575 41.2115 -95.4548 174.837 -102.865 126.035 -2.60481 128.41 PRESSAVG: 2024600 -5.28692 36.2328 6.50202 36.2328 46.9626 27.7698 6.50209 27.7696 -18.7967 GPRESSAVG: 2024600 -5.77926 35.2344 4.56737 37.5135 48.1708 28.1068 7.10055 27.4513 -19.2775 TIMING: 2024600 CPU: 6104.3, 0.00295389/step Wall: 6104.3, 0.00295389/step, 2.44139 hours remaining, 209.171875 MB of memory in use. ENERGY: 2024600 759.8975 2094.9814 1910.9454 110.9999 -206769.3429 18104.4673 0.0000 0.0000 34065.9366 -149722.1147 297.5063 -183788.0513 -149630.8656 298.0225 153.0144 188.6386 557135.8305 7.6263 7.7047 PRESSURE: 2024800 -156.234 68.5258 -102.966 68.5256 -18.7457 46.2629 -102.966 46.2634 -80.9268 GPRESSURE: 2024800 -100.614 90.7576 -187.793 -11.2347 -10.4915 67.4529 -104.454 118.374 -41.2942 PRESSAVG: 2024800 20.7376 39.0747 -30.497 39.0746 6.54548 28.2263 -30.4971 28.2264 -33.4868 GPRESSAVG: 2024800 21.2734 38.1129 -33.3757 40.5939 6.23083 30.6447 -27.5125 28.1082 -33.9328 TIMING: 2024800 CPU: 6104.89, 0.00298388/step Wall: 6104.89, 0.00298388/step, 2.46601 hours remaining, 209.171875 MB of memory in use. ENERGY: 2024800 756.3234 2116.9364 1924.2814 112.2541 -206440.2097 17814.6201 0.0000 0.0000 34037.9774 -149677.8168 297.2621 -183715.7942 -149579.9261 298.1584 -85.3022 -50.7999 558420.5444 -2.0679 -2.1429 PRESSURE: 2025000 15.2218 -50.0987 -118.083 -50.0983 -213.442 30.382 -118.083 30.3808 -17.2488 GPRESSURE: 2025000 70.6521 30.9842 -93.477 -8.88779 -181.82 12.2345 -72.7319 -23.6087 6.49512 PRESSAVG: 2025000 5.87529 13.2616 -46.7334 13.2617 2.071 -26.1102 -46.7333 -26.11 23.1118 GPRESSAVG: 2025000 5.11061 13.4435 -43.8466 13.2805 1.91058 -28.9749 -48.6684 -24.1773 23.4794 TIMING: 2025000 CPU: 6105.49, 0.00300616/step Wall: 6105.49, 0.00300616/step, 2.48426 hours remaining, 209.171875 MB of memory in use. ENERGY: 2025000 769.7553 2066.3046 1937.3672 103.3982 -206616.5778 17952.6998 0.0000 0.0000 34185.3483 -149601.7044 298.5491 -183787.0527 -149505.6407 297.8094 -71.8230 -34.8909 558538.1715 10.3527 10.1669 PRESSURE: 2025200 -245.92 1.23753 -41.1191 1.2372 10.987 -30.7734 -41.1203 -30.7747 -84.9393 GPRESSURE: 2025200 -226.951 -62.0278 -50.4855 79.8924 60.1411 62.2609 -43.7669 -53.9157 -52.2646 PRESSAVG: 2025200 -35.8672 -3.58956 -17.5167 -3.5895 12.6968 32.2701 -17.5166 32.27 26.7949 GPRESSAVG: 2025200 -35.8042 -5.02023 -17.6851 -3.71247 13.4169 31.192 -18.3275 32.7741 25.7284 TIMING: 2025200 CPU: 6106.09, 0.00299211/step Wall: 6106.09, 0.00299211/step, 2.47248 hours remaining, 209.171875 MB of memory in use. ENERGY: 2025200 777.4977 2086.0583 1922.0719 119.7908 -206418.2767 17785.5453 0.0000 0.0000 34150.8047 -149576.5079 298.2475 -183727.3126 -149470.4224 298.0302 -106.6240 -73.0249 557390.3420 1.2082 1.1137 PRESSURE: 2025400 -27.8845 -58.9671 51.2534 -58.9676 -27.0234 -43.8131 51.253 -43.8137 -60.9832 GPRESSURE: 2025400 -20.679 -161.384 8.01678 -68.3513 -33.4778 2.89204 -23.0841 -45.3132 46.9852 PRESSAVG: 2025400 -7.46112 8.44687 -4.94063 8.44677 43.0551 18.7726 -4.94051 18.7726 -25.5315 GPRESSAVG: 2025400 -7.36036 11.0252 -5.64959 6.78077 43.4392 20.4029 -2.98134 15.4324 -26.0359 TIMING: 2025400 CPU: 6106.69, 0.00299305/step Wall: 6106.69, 0.00299305/step, 2.47309 hours remaining, 209.171875 MB of memory in use. ENERGY: 2025400 788.5410 2103.2554 1939.0459 105.8887 -206420.9157 17883.8833 0.0000 0.0000 34113.0089 -149487.2924 297.9174 -183600.3013 -149391.4404 298.1295 -38.6304 -2.3906 557443.9129 3.3542 3.3476 PRESSURE: 2025600 44.7323 50.0102 180.42 50.0106 -183.88 156.663 180.42 156.664 -346.106 GPRESSURE: 2025600 60.3559 38.1135 156.775 10.2055 -106.449 105.894 132.703 191.241 -349.624 PRESSAVG: 2025600 60.7076 96.9392 -13.4823 96.9391 -38.9219 -20.4757 -13.4824 -20.4757 -13.3057 GPRESSAVG: 2025600 60.2384 95.5884 -13.0355 99.5413 -40.6679 -20.6716 -15.9047 -19.2703 -10.8411 TIMING: 2025600 CPU: 6107.29, 0.00301406/step Wall: 6107.29, 0.00301406/step, 2.49029 hours remaining, 209.242188 MB of memory in use. ENERGY: 2025600 742.9696 2070.7640 1930.7110 106.5488 -206260.2166 17563.6755 0.0000 0.0000 34475.4444 -149370.1034 301.0826 -183845.5477 -149275.1559 298.3208 -161.7510 -131.9055 557300.4681 2.8267 2.9098 PRESSURE: 2025800 -14.8839 -102.607 -118.711 -102.607 -156.428 -97.2063 -118.712 -97.2046 -43.1289 GPRESSURE: 2025800 114.073 -15.734 -146.906 -29.8541 -155.365 -97.4541 -150.267 -193.494 -76.8788 PRESSAVG: 2025800 -22.0884 37.7817 -8.27875 37.7818 -15.4416 4.20481 -8.27874 4.20476 57.6327 GPRESSAVG: 2025800 -21.3572 38.4482 -9.82215 36.1661 -14.3344 1.90861 -5.41025 5.21795 56.2094 TIMING: 2025800 CPU: 6107.89, 0.00300309/step Wall: 6107.89, 0.00300309/step, 2.48105 hours remaining, 209.242188 MB of memory in use. ENERGY: 2025800 743.8379 2116.9260 1928.6943 113.6449 -206148.3432 17760.2392 0.0000 0.0000 34052.0856 -149432.9153 297.3853 -183485.0009 -149338.4625 298.9399 -71.4802 -39.3902 557275.1748 6.7009 6.8393 PRESSURE: 2026000 -178.178 192.901 74.5837 192.901 -100.666 -9.79376 74.5835 -9.79363 -27.1783 GPRESSURE: 2026000 -71.1152 178.591 -7.20317 125.009 -112.729 -49.8279 21.5334 67.0805 -23.7781 PRESSAVG: 2026000 2.34932 11.332 40.5871 11.3322 -14.9245 6.81944 40.5871 6.8195 45.5337 GPRESSAVG: 2026000 1.76937 10.7283 41.7153 11.7602 -14.8852 9.48512 40.229 5.03655 45.9109 TIMING: 2026000 CPU: 6108.49, 0.0029988/step Wall: 6108.49, 0.0029988/step, 2.47734 hours remaining, 209.242188 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: 2026000 732.7369 2072.3818 1940.7802 110.1964 -206171.6305 17665.8582 0.0000 0.0000 34405.6336 -149244.0433 300.4730 -183649.6769 -149142.9300 298.1680 -102.0076 -69.2073 556725.6179 10.9862 10.9317 PRESSURE: 2026200 -82.1834 -26.5204 43.7642 -26.5211 -157.825 102.307 43.7648 102.306 122.567 GPRESSURE: 2026200 -46.6153 -36.1882 -0.243211 24.8734 -83.4914 13.8798 78.5676 114.024 104.495 PRESSAVG: 2026200 9.09459 -0.606565 38.0752 -0.606632 -47.8749 27.8004 38.0751 27.8004 37.6599 GPRESSAVG: 2026200 11.3247 -0.0903355 38.6656 -0.0275459 -48.8359 26.2943 37.313 29.7622 36.7673 TIMING: 2026200 CPU: 6109.09, 0.0029996/step Wall: 6109.09, 0.0029996/step, 2.47784 hours remaining, 209.242188 MB of memory in use. ENERGY: 2026200 772.5828 2111.0924 1945.8039 111.9171 -206024.8287 17675.4859 0.0000 0.0000 34264.7729 -149143.1737 299.2428 -183407.9466 -149044.9905 299.7191 -39.1474 -8.5372 556317.1817 -0.3735 -0.2480 PRESSURE: 2026400 -132.079 11.8474 -120.88 11.8467 12.1148 12.8688 -120.881 12.8679 -185.762 GPRESSURE: 2026400 -27.7618 28.0715 -66.0241 -40.8733 12.3374 28.9226 -127.434 -38.273 -176.58 PRESSAVG: 2026400 -90.6966 6.18262 -43.3215 6.18263 31.7835 29.8316 -43.3216 29.8315 34.4767 GPRESSAVG: 2026400 -91.4611 6.37734 -44.667 3.95059 31.753 30.3487 -43.455 29.1706 35.0457 TIMING: 2026400 CPU: 6109.69, 0.00298547/step Wall: 6109.69, 0.00298547/step, 2.466 hours remaining, 209.242188 MB of memory in use. ENERGY: 2026400 741.4031 2158.1290 1907.5857 115.4938 -206306.3344 17716.4952 0.0000 0.0000 34400.9318 -149266.2959 300.4319 -183667.2277 -149162.4754 299.9049 -101.9086 -64.0014 557589.0615 -8.1455 -8.2208 PRESSURE: 2026600 304.522 -31.1461 17.1031 -31.1467 20.9278 -228.663 17.1035 -228.665 154.331 GPRESSURE: 2026600 316.328 39.1004 7.72358 -119.07 114.754 -250.988 51.9273 -171.636 147.53 PRESSAVG: 2026600 -22.6731 -7.26764 13.9958 -7.26759 -40.8386 -13.1201 13.9956 -13.1202 71.6927 GPRESSAVG: 2026600 -23.7985 -9.51976 16.5266 -5.25274 -40.2665 -12.9675 13.1635 -12.5314 72.6744 TIMING: 2026600 CPU: 6110.29, 0.00301439/step Wall: 6110.29, 0.00301439/step, 2.48972 hours remaining, 209.242188 MB of memory in use. ENERGY: 2026600 767.7325 2138.6330 1934.5930 102.7649 -207016.8710 18302.4317 0.0000 0.0000 34359.1493 -149411.5666 300.0670 -183770.7159 -149318.0258 299.3862 159.9269 192.8709 556268.3103 2.7270 2.8698 PRESSURE: 2026800 141.39 211.508 -157.366 211.508 120.991 9.36503 -157.367 9.36441 91.6132 GPRESSURE: 2026800 137.277 169.211 -148.66 234.146 197.961 21.2384 -65.4898 -9.35131 121.499 PRESSAVG: 2026800 -35.4155 -40.7866 6.70073 -40.7866 81.7651 -10.0766 6.70077 -10.0765 1.94893 GPRESSAVG: 2026800 -33.0763 -39.1962 5.04772 -41.273 82.7068 -9.92357 7.54921 -11.0025 -0.935653 TIMING: 2026800 CPU: 6110.9, 0.00302052/step Wall: 6110.9, 0.00302052/step, 2.49461 hours remaining, 209.242188 MB of memory in use. ENERGY: 2026800 751.3661 2105.5109 1954.2272 105.9515 -206410.3477 17966.5154 0.0000 0.0000 34227.8497 -149298.9267 298.9203 -183526.7765 -149203.7247 299.3323 117.9981 152.2456 556910.3658 16.0995 16.2316 PRESSURE: 2027000 34.0676 192.628 -8.6208 192.628 -406.02 121.776 -8.62152 121.777 -91.9115 GPRESSURE: 2027000 51.0587 165.649 -13.4487 259.097 -280.49 165.609 -20.2999 39.7015 -132.47 PRESSAVG: 2027000 40.9174 69.5451 11.2398 69.545 -28.0889 -33.3455 11.2398 -33.3454 -2.20473 GPRESSAVG: 2027000 39.6068 70.3008 11.5549 69.8218 -29.3865 -34.5043 12.4167 -32.0198 0.947271 TIMING: 2027000 CPU: 6111.51, 0.00306419/step Wall: 6111.51, 0.00306419/step, 2.53051 hours remaining, 209.242188 MB of memory in use. ENERGY: 2027000 751.8662 2092.4744 1932.9824 120.7964 -206215.2712 17573.3426 0.0000 0.0000 34285.4584 -149458.3509 299.4234 -183743.8093 -149355.7346 299.5187 -154.6214 -120.6340 556108.2297 3.5413 3.7225 PRESSURE: 2027200 -6.30752 112.332 -5.20686 112.331 -241.318 -125.608 -5.20894 -125.607 -237.706 GPRESSURE: 2027200 76.761 92.0775 109.561 66.7676 -238.684 -281.252 -40.8551 -128.388 -228.402 PRESSAVG: 2027200 34.0069 13.9437 -17.6283 13.9437 -38.1106 -13.9443 -17.6282 -13.9443 23.9503 GPRESSAVG: 2027200 33.5177 14.1957 -17.0854 14.1598 -36.8516 -10.9883 -18.8472 -15.8758 22.5372 TIMING: 2027200 CPU: 6112.12, 0.00302691/step Wall: 6112.12, 0.00302691/step, 2.49956 hours remaining, 209.242188 MB of memory in use. ENERGY: 2027200 763.5639 2052.3523 1911.8538 123.1430 -206407.4625 17642.9675 0.0000 0.0000 34546.8112 -149366.7708 301.7059 -183913.5820 -149266.1294 299.1039 -161.7774 -130.1085 557054.0563 6.6155 6.4011 PRESSURE: 2027400 -127.854 89.8349 114.114 89.8341 43.0855 167.051 114.114 167.05 3.87898 GPRESSURE: 2027400 -74.0967 -27.3183 148.304 71.6552 90.3637 86.4096 50.8926 164.717 -8.9521 PRESSAVG: 2027400 -18.661 -15.427 -28.9736 -15.4269 7.80445 5.72357 -28.9735 5.72357 63.4973 GPRESSAVG: 2027400 -17.2616 -17.9892 -29.8376 -17.4511 7.36583 4.77474 -28.4616 6.38855 63.0587 TIMING: 2027400 CPU: 6112.71, 0.00298057/step Wall: 6112.71, 0.00298057/step, 2.46113 hours remaining, 209.242188 MB of memory in use. ENERGY: 2027400 734.7519 2165.0025 1915.5597 129.5041 -206161.4849 17670.2789 0.0000 0.0000 34393.0655 -149153.3223 300.3632 -183546.3878 -149060.5370 300.0371 -26.9631 2.4383 555900.1157 17.5469 17.7210 PRESSURE: 2027600 -267.585 121.381 -72.7796 121.38 -42.6 40.0276 -72.7796 40.0282 128.144 GPRESSURE: 2027600 -257.894 -37.8839 -117.946 142.573 6.09102 -58.6155 -71.5874 -21.8139 167.157 PRESSAVG: 2027600 -17.1344 30.4413 37.5745 30.4413 46.3399 -3.03995 37.5744 -3.03998 18.3224 GPRESSAVG: 2027600 -18.978 30.8956 37.8249 30.8926 47.346 -2.96398 37.8743 -4.12046 18.6151 TIMING: 2027600 CPU: 6113.31, 0.00299566/step Wall: 6113.31, 0.00299566/step, 2.47342 hours remaining, 209.242188 MB of memory in use. ENERGY: 2027600 725.6733 2122.4762 1948.5755 122.1294 -206043.8379 17613.8425 0.0000 0.0000 34415.4347 -149095.7061 300.5586 -183511.1408 -149003.4399 300.1877 -60.6802 -28.2153 557694.6092 15.8426 15.6611 PRESSURE: 2027800 141.892 -27.7373 -50.6278 -27.7384 -216.764 -161.615 -50.6269 -161.616 -121.643 GPRESSURE: 2027800 217.83 14.1161 -96.9573 11.7253 -232.138 -75.9965 -38.07 -215.043 -77.127 PRESSAVG: 2027800 -21.6111 30.8844 22.374 30.8843 42.984 -65.4376 22.374 -65.4377 19.1493 GPRESSAVG: 2027800 -21.4311 31.3112 23.263 31.6098 42.1736 -65.5767 22.0054 -64.5613 19.7095 TIMING: 2027800 CPU: 6113.91, 0.00297491/step Wall: 6113.91, 0.00297491/step, 2.45612 hours remaining, 209.242188 MB of memory in use. ENERGY: 2027800 750.5256 2094.0586 1907.8045 113.6048 -205936.4212 17644.6251 0.0000 0.0000 34273.1345 -149152.6682 299.3158 -183425.8026 -149053.5211 299.5345 -65.5050 -30.4783 556925.7690 13.5074 13.4840 PRESSURE: 2028000 106.015 3.04281 0.38373 3.04252 138.302 98.708 0.38343 98.7067 229.576 GPRESSURE: 2028000 102.421 -13.7189 73.8572 56.5965 174.021 144.71 6.18124 164.815 296.214 PRESSAVG: 2028000 -33.1414 47.8383 -39.2986 47.8384 2.03006 34.5777 -39.2987 34.5777 8.58628 GPRESSAVG: 2028000 -32.9081 46.0235 -38.0456 49.4593 2.40569 34.552 -40.8781 35.5634 8.06049 TIMING: 2028000 CPU: 6114.5, 0.00299552/step Wall: 6114.5, 0.00299552/step, 2.47297 hours remaining, 209.242188 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: 2028000 710.6229 2102.7434 1924.3550 109.7117 -206021.5793 17823.6687 0.0000 0.0000 34219.8436 -149130.6339 298.8504 -183350.4775 -149035.0766 299.3389 157.9640 190.8851 556515.5660 -7.5084 -7.4806 PRESSURE: 2028200 -18.9213 -46.6511 33.5142 -46.652 -300.005 38.1207 33.514 38.1196 -56.1584 GPRESSURE: 2028200 42.1346 -9.49831 84.6701 -15.0011 -276.306 77.9958 56.8446 8.89869 -40.3633 PRESSAVG: 2028200 -5.6837 12.03 29.2654 12.0298 39.9593 -19.6282 29.2653 -19.6281 22.3183 GPRESSAVG: 2028200 -4.14043 13.4517 29.1684 9.60214 38.7516 -18.5617 28.7231 -21.1381 21.9967 TIMING: 2028200 CPU: 6115.11, 0.00300129/step Wall: 6115.11, 0.00300129/step, 2.47757 hours remaining, 209.242188 MB of memory in use. ENERGY: 2028200 755.0564 2088.5023 1930.6236 105.7045 -206014.4552 17758.8390 0.0000 0.0000 34310.1645 -149065.5648 299.6392 -183375.7293 -148973.2403 299.5248 -125.0283 -91.5116 557300.3356 18.8646 18.8693 LDB: ============= START OF LOAD BALANCING ============== 6118.62 LDB: ============== END OF LOAD BALANCING =============== 6118.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6118.62 LDB: ============= START OF LOAD BALANCING ============== 6118.92 LDB: Largest compute 4772 load 0.029938 is 25.4% of average load 0.118044 LDB: Average compute 0.001729 is 1.5% of average load 0.118044 LDB: TIME 6118.92 LOAD: AVG 0.118044 MAX 0.20545 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.434 MB LDB: TIME 6118.92 LOAD: AVG 0.118044 MAX 0.20545 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.434 MB LDB: TIME 6118.92 LOAD: AVG 0.118044 MAX 0.20545 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.434 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6118.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6118.93 PRESSURE: 2028400 -99.6648 -65.0246 -138.128 -65.0263 -171.72 -19.6479 -138.128 -19.6496 -285.502 GPRESSURE: 2028400 -21.2986 -184.372 -154.547 59.1155 -165.451 -21.3564 -229.153 -50.4924 -277.665 PRESSAVG: 2028400 -65.5341 -20.8095 -13.5717 -20.8095 45.0153 -22.4541 -13.5716 -22.4543 15.1171 GPRESSAVG: 2028400 -66.4969 -19.608 -15.4174 -19.8265 45.1207 -24.5518 -11.8677 -22.0453 15.7709 TIMING: 2028400 CPU: 6115.71, 0.00303465/step Wall: 6115.71, 0.00303465/step, 2.50493 hours remaining, 207.929688 MB of memory in use. ENERGY: 2028400 743.3338 2047.0131 1913.8453 101.6974 -206184.8461 17534.9863 0.0000 0.0000 34470.6148 -149373.3553 301.0405 -183843.9701 -149276.5867 299.5903 -185.6290 -154.8047 557250.1471 -1.8006 -1.8684 PRESSURE: 2028600 -185.03 -17.4106 65.5435 -17.4109 103.331 -8.72276 65.5432 -8.72057 268.288 GPRESSURE: 2028600 -102.904 -75.1378 69.4648 -19.3855 89.7081 12.5372 57.2193 17.4728 302.879 PRESSAVG: 2028600 17.5867 5.40426 -38.0876 5.40428 -0.877732 33.4386 -38.0876 33.4385 19.3994 GPRESSAVG: 2028600 18.1051 6.66805 -37.4382 4.57962 -1.24983 34.1511 -40.2994 32.8955 18.9698 TIMING: 2028600 CPU: 6116.31, 0.00299267/step Wall: 6116.31, 0.00299267/step, 2.47012 hours remaining, 208.171875 MB of memory in use. ENERGY: 2028600 724.2321 2091.7126 1940.2815 103.4517 -206367.3660 17834.1929 0.0000 0.0000 34241.6814 -149431.8139 299.0411 -183673.4953 -149334.2262 298.9581 62.1964 96.5610 558031.7256 12.0361 11.9417 PRESSURE: 2028800 -104.919 85.975 43.1773 85.9759 -72.3514 -16.5987 43.1778 -16.5994 -64.7791 GPRESSURE: 2028800 -21.8087 47.4067 12.8892 44.2914 -67.7151 -66.0818 -25.1728 14.0601 -55.5627 PRESSAVG: 2028800 -20.0645 -29.2245 -18.6098 -29.2245 46.2686 16.0075 -18.6098 16.0076 -60.5054 GPRESSAVG: 2028800 -21.1059 -31.1924 -19.2159 -27.2834 47.5203 19.3919 -17.2691 15.8332 -60.9249 TIMING: 2028800 CPU: 6116.91, 0.00299588/step Wall: 6116.91, 0.00299588/step, 2.4726 hours remaining, 208.171875 MB of memory in use. ENERGY: 2028800 781.6445 2083.1919 1924.2555 97.7661 -206049.3544 17800.0900 0.0000 0.0000 34112.7157 -149249.6907 297.9148 -183362.4065 -149154.4517 298.5388 -80.6831 -48.3622 557873.0505 -11.4338 -11.5035 PRESSURE: 2029000 -27.5736 -78.9477 -59.4112 -78.9472 81.5701 28.0888 -59.4095 28.089 236.681 GPRESSURE: 2029000 3.79922 -40.9879 -63.3167 -51.9184 112.49 0.0457579 -80.0241 122.134 255.991 PRESSAVG: 2029000 14.2499 8.67259 7.63087 8.67252 -20.6334 29.8599 7.63098 29.8599 -9.31706 GPRESSAVG: 2029000 14.9695 10.4252 6.60598 5.22544 -20.8093 26.7 5.81613 30.6857 -9.62673 TIMING: 2029000 CPU: 6117.51, 0.00300003/step Wall: 6117.51, 0.00300003/step, 2.47586 hours remaining, 208.171875 MB of memory in use. ENERGY: 2029000 785.9230 2065.7355 1900.9382 110.2116 -206083.1635 17935.7513 0.0000 0.0000 34156.8474 -149127.7565 298.3002 -183284.6039 -149034.1200 298.8755 96.8924 124.0935 557989.6308 -5.2335 -5.1555 PRESSURE: 2029200 -144.33 46.7339 98.6617 46.7348 -0.574841 3.04905 98.6615 3.0494 -127.653 GPRESSURE: 2029200 -117.407 117.831 73.1352 48.1263 47.0199 68.1435 73.3984 -2.98201 -114.646 PRESSAVG: 2029200 -24.7983 -9.0968 -8.01146 -9.09685 41.899 -21.3056 -8.01153 -21.3056 -8.8089 GPRESSAVG: 2029200 -25.6184 -9.20074 -6.30299 -6.5317 41.1861 -20.9499 -5.66046 -19.9724 -7.59081 TIMING: 2029200 CPU: 6118.11, 0.00301216/step Wall: 6118.11, 0.00301216/step, 2.4857 hours remaining, 208.171875 MB of memory in use. ENERGY: 2029200 759.4444 2037.3838 1960.6715 112.0705 -205893.9750 17730.8384 0.0000 0.0000 34294.8393 -148998.7270 299.5054 -183293.5663 -148899.3196 299.1579 -90.8525 -61.6776 559187.2743 2.7640 2.6590 PRESSURE: 2029400 -12.6541 9.70001 -86.8055 9.70064 -325.314 -61.5541 -86.8053 -61.554 -143.758 GPRESSURE: 2029400 0.44528 52.9802 0.664947 -34.0597 -255.149 -56.584 -92.2357 -113.635 -122.254 PRESSAVG: 2029400 -0.347214 35.5365 -20.2216 35.5365 -3.16427 12.3803 -20.2215 12.3804 -1.43518 GPRESSAVG: 2029400 -0.127345 35.0231 -20.1617 35.3076 -2.39432 13.9705 -19.0262 9.20001 -2.77654 TIMING: 2029400 CPU: 6118.71, 0.00298458/step Wall: 6118.71, 0.00298458/step, 2.46277 hours remaining, 208.406250 MB of memory in use. ENERGY: 2029400 748.9979 2037.7810 1941.3424 115.6013 -205737.5135 17469.8494 0.0000 0.0000 34267.6418 -149156.2996 299.2678 -183423.9414 -149059.4357 299.3039 -160.5754 -125.6527 558667.4303 -1.6489 -1.7661 PRESSURE: 2029600 -265.112 67.1938 31.4956 67.1931 131.95 172.8 31.4954 172.8 180.534 GPRESSURE: 2029600 -222.253 -4.10581 -11.8889 67.0008 202.524 142.711 78.1624 156.488 150.26 PRESSAVG: 2029600 -60.9315 -39.6731 3.52032 -39.6731 14.8414 33.1402 3.52016 33.1403 50.2584 GPRESSAVG: 2029600 -61.4417 -41.4853 2.73992 -37.3596 14.4628 33.6019 3.66773 33.1341 51.1407 TIMING: 2029600 CPU: 6119.31, 0.00298853/step Wall: 6119.31, 0.00298853/step, 2.46587 hours remaining, 208.406250 MB of memory in use. ENERGY: 2029600 770.4358 2084.2065 1932.4554 122.5800 -206240.9002 18104.9475 0.0000 0.0000 34083.0207 -149143.2545 297.6555 -183226.2752 -149047.2842 299.1630 15.7908 43.5104 558519.7388 1.3894 1.3873 PRESSURE: 2029800 -128.474 -23.3426 -29.5756 -23.3427 -244.456 94.6503 -29.5742 94.6503 -374.084 GPRESSURE: 2029800 -59.0011 57.1801 -28.7433 -153.542 -258.142 65.4108 -57.1637 116.603 -314.19 PRESSAVG: 2029800 -69.5136 19.0675 -27.4355 19.0674 -7.23141 -6.52004 -27.4353 -6.52 71.7406 GPRESSAVG: 2029800 -68.6816 20.7516 -26.4018 17.8937 -6.99309 -8.27982 -26.8363 -3.98102 70.9605 TIMING: 2029800 CPU: 6119.91, 0.00303361/step Wall: 6119.91, 0.00303361/step, 2.50289 hours remaining, 208.406250 MB of memory in use. ENERGY: 2029800 736.2434 2074.1843 1917.5496 115.3600 -205696.3705 17445.7894 0.0000 0.0000 34359.9615 -149047.2822 300.0741 -183407.2437 -148941.1438 299.3549 -249.0045 -210.4443 558494.0481 -1.6681 -1.5714 PRESSURE: 2030000 -39.537 6.2107 38.1679 6.21024 -78.3219 18.2997 38.1694 18.2997 347.032 GPRESSURE: 2030000 -9.97382 -57.1558 99.3065 77.9786 -38.2509 71.1911 44.5603 -55.5415 377.297 PRESSAVG: 2030000 19.0543 -43.1511 -32.1245 -43.1511 -76.2217 50.1443 -32.1246 50.1444 45.6665 GPRESSAVG: 2030000 19.0452 -43.2797 -31.0421 -42.9049 -76.1327 51.2799 -34.0842 49.0208 45.1272 TIMING: 2030000 CPU: 6120.52, 0.003033/step Wall: 6120.52, 0.003033/step, 2.50222 hours remaining, 208.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2030000 738.4997 2093.4834 1948.0161 109.7404 -206084.2966 17835.6207 0.0000 0.0000 34278.5089 -149080.4274 299.3627 -183358.9363 -148987.1308 299.6921 76.3910 109.6908 557945.2515 -3.8336 -3.9868 PRESSURE: 2030200 89.7893 51.5197 33.3968 51.5196 -39.1913 55.1266 33.3971 55.127 -109.052 GPRESSURE: 2030200 171.671 101.436 193.138 82.8474 -7.73109 62.9617 10.8017 63.6064 -123.894 PRESSAVG: 2030200 12.5842 -36.2926 -18.7966 -36.2926 -69.7885 28.542 -18.7965 28.542 10.8974 GPRESSAVG: 2030200 12.747 -37.1161 -19.5978 -34.9757 -69.9663 28.6599 -18.1069 27.5898 11.3494 TIMING: 2030200 CPU: 6121.13, 0.00302949/step Wall: 6121.13, 0.00302949/step, 2.49917 hours remaining, 208.406250 MB of memory in use. ENERGY: 2030200 720.0874 2111.7968 1939.7524 124.8949 -206141.9450 17768.3374 0.0000 0.0000 34162.3849 -149314.6912 298.3486 -183477.0762 -149221.6110 298.5566 -19.4846 13.3485 558238.9068 -15.4356 -15.2900 PRESSURE: 2030400 53.2466 68.3555 -75.4332 68.3553 -125.504 -107.048 -75.434 -107.049 241.97 GPRESSURE: 2030400 82.0835 66.9856 -74.331 129.558 -82.7659 -131.418 -90.189 -107.541 269.056 PRESSAVG: 2030400 -43.3318 -20.3483 -16.6294 -20.3482 -45.4266 9.99713 -16.6294 9.997 36.6153 GPRESSAVG: 2030400 -44.3058 -19.9683 -18.5952 -21.0144 -44.6273 8.11905 -14.6947 11.9661 36.4454 TIMING: 2030400 CPU: 6121.73, 0.00302544/step Wall: 6121.73, 0.00302544/step, 2.49565 hours remaining, 208.406250 MB of memory in use. ENERGY: 2030400 732.5377 2124.4253 1969.9612 109.8996 -206451.7076 17867.4899 0.0000 0.0000 34334.7229 -149312.6711 299.8537 -183647.3940 -149221.4674 298.1260 56.5709 89.4579 557915.4018 -17.3810 -17.4959 PRESSURE: 2030600 -203.641 -12.0108 20.325 -12.0099 8.97325 22.7407 20.3256 22.7396 51.8166 GPRESSURE: 2030600 -186.051 -33.6818 -35.6919 -63.9619 46.7154 45.0765 38.6748 -69.8852 97.5093 PRESSAVG: 2030600 0.628715 30.4452 -2.13427 30.4453 0.127819 -52.1137 -2.13432 -52.1136 13.6112 GPRESSAVG: 2030600 0.246972 30.8704 -1.62395 28.9247 0.791685 -49.0415 -3.20425 -52.297 13.2824 TIMING: 2030600 CPU: 6122.34, 0.00304384/step Wall: 6122.34, 0.00304384/step, 2.51066 hours remaining, 208.406250 MB of memory in use. ENERGY: 2030600 743.1367 2066.2767 1939.3277 111.6813 -206113.4552 17689.7735 0.0000 0.0000 34230.8250 -149332.4342 298.9463 -183563.2593 -149237.4283 298.6225 -47.6170 -13.9422 558667.3605 4.7893 4.7737 PRESSURE: 2030800 145.386 118.587 28.9598 118.586 58.6496 -48.5481 28.9587 -48.5488 141.327 GPRESSURE: 2030800 190.447 105.144 -0.531097 129.896 34.4482 -33.073 -18.4189 -39.3074 229.024 PRESSAVG: 2030800 -51.576 12.3786 29.4636 12.3786 31.4294 -40.6031 29.4636 -40.6031 7.05907 GPRESSAVG: 2030800 -50.6165 10.118 30.2235 13.5576 29.3804 -42.6944 28.2587 -38.8408 7.77513 TIMING: 2030800 CPU: 6122.94, 0.00301658/step Wall: 6122.94, 0.00301658/step, 2.48801 hours remaining, 208.406250 MB of memory in use. ENERGY: 2030800 742.0275 2112.7993 1935.2145 121.7159 -206171.5881 17824.0249 0.0000 0.0000 34083.2603 -149352.5456 297.6576 -183435.8059 -149256.3746 299.0285 115.1209 151.3061 556440.4474 -4.3625 -4.4870 PRESSURE: 2031000 149.103 63.6801 -210.272 63.6786 115.961 112.098 -210.272 112.098 83.53 GPRESSURE: 2031000 150.008 28.9319 -234.488 93.9993 178.457 96.8896 -194.768 140.593 116.71 PRESSAVG: 2031000 -35.5038 47.14 -15.0265 47.14 76.6715 -24.8612 -15.0265 -24.8613 8.22984 GPRESSAVG: 2031000 -35.6512 47.4107 -15.4389 45.7776 77.65 -22.608 -12.8879 -29.3731 7.39008 TIMING: 2031000 CPU: 6123.55, 0.00301141/step Wall: 6123.55, 0.00301141/step, 2.48358 hours remaining, 208.406250 MB of memory in use. ENERGY: 2031000 755.0468 2113.9369 1960.8391 112.9164 -206658.4185 18133.2932 0.0000 0.0000 34166.6096 -149415.7765 298.3855 -183582.3861 -149322.7351 298.4006 116.1982 148.3920 557939.4125 16.4659 16.4630 PRESSURE: 2031200 72.9653 -84.6642 83.6364 -84.6648 -76.7721 -48.7529 83.6363 -48.7518 18.4933 GPRESSURE: 2031200 84.6065 -72.9558 32.5686 -146.007 -19.529 -85.3206 110.503 -43.0985 32.5124 PRESSAVG: 2031200 -43.8817 -29.4995 -27.3404 -29.4995 30.4321 12.7835 -27.3403 12.7836 55.1103 GPRESSAVG: 2031200 -43.6249 -28.1165 -27.5479 -28.9584 31.2918 10.2736 -27.9501 15.1195 54.3643 TIMING: 2031200 CPU: 6124.14, 0.00298755/step Wall: 6124.14, 0.00298755/step, 2.46374 hours remaining, 208.406250 MB of memory in use. ENERGY: 2031200 703.1695 2077.7379 1942.3466 111.3973 -206505.9909 17949.9996 0.0000 0.0000 34052.9629 -149668.3770 297.3930 -183721.3400 -149578.6798 298.1303 4.8955 32.5300 558701.1248 13.8869 14.0104 PRESSURE: 2031400 -238.916 -105.517 -36.3991 -105.518 11.1921 65.2285 -36.3995 65.2271 18.6385 GPRESSURE: 2031400 -187.397 -133.07 28.3259 -122.047 4.02483 59.6087 -55.8283 10.8875 75.7464 PRESSAVG: 2031400 -63.4064 -14.7623 37.0282 -14.7624 -10.2981 -33.4749 37.0281 -33.475 88.6479 GPRESSAVG: 2031400 -64.1127 -14.0515 36.6295 -14.6297 -10.0819 -31.8067 35.8308 -34.8653 89.1468 TIMING: 2031400 CPU: 6124.74, 0.00298818/step Wall: 6124.74, 0.00298818/step, 2.46409 hours remaining, 208.406250 MB of memory in use. ENERGY: 2031400 720.7605 2076.0525 1934.6596 126.3355 -206276.1726 17751.3364 0.0000 0.0000 34155.4371 -149511.5910 298.2879 -183667.0282 -149416.4046 297.8578 -69.6951 -35.8753 560073.8508 4.9811 4.9841 PRESSURE: 2031600 -164.477 -38.4124 -82.3881 -38.4117 11.489 -16.927 -82.3882 -16.9261 -28.7131 GPRESSURE: 2031600 -91.973 65.8825 -99.1293 -39.1919 21.8286 -20.8686 -50.8791 -11.9211 -4.69967 PRESSAVG: 2031600 -17.6583 -51.1921 25.7559 -51.192 -49.0525 -14.4698 25.7559 -14.4699 42.731 GPRESSAVG: 2031600 -16.6495 -52.1224 25.1453 -50.6458 -50.9369 -14.6651 26.5765 -14.7172 43.3113 TIMING: 2031600 CPU: 6125.33, 0.00296964/step Wall: 6125.33, 0.00296964/step, 2.44863 hours remaining, 208.406250 MB of memory in use. ENERGY: 2031600 766.5908 2083.8090 1925.5756 111.5604 -206674.6603 18025.2158 0.0000 0.0000 34169.1140 -149592.7948 298.4074 -183761.9087 -149493.3624 298.5110 -60.5672 -24.9480 558577.0299 -7.9933 -8.0917 PRESSURE: 2031800 17.2351 7.83795 42.8183 7.83758 144.242 -28.4281 42.8187 -28.4271 198.299 GPRESSURE: 2031800 47.7725 36.8541 -105.035 -79.0578 200.171 13.3488 76.9315 -17.1476 202.577 PRESSAVG: 2031800 -0.18411 -3.58052 -8.21898 -3.58052 -62.5436 -11.7969 -8.21898 -11.7968 21.1628 GPRESSAVG: 2031800 -0.0992006 -4.98094 -7.79759 -5.18008 -60.8383 -12.8479 -7.68517 -9.78065 19.4313 TIMING: 2031800 CPU: 6125.93, 0.00300067/step Wall: 6125.93, 0.00300067/step, 2.47405 hours remaining, 208.406250 MB of memory in use. ENERGY: 2031800 765.1761 2061.2620 1937.9833 119.9257 -207031.3442 18215.1112 0.0000 0.0000 34107.9262 -149823.9598 297.8730 -183931.8859 -149729.7597 297.6118 119.9255 150.1735 557037.8163 -13.8550 -13.8354 PRESSURE: 2032000 -275.361 193.6 -60.2961 193.6 -140.402 -9.23048 -60.2959 -9.22969 -241.312 GPRESSURE: 2032000 -245.915 156.766 -4.12713 188.133 -149.659 96.1022 -82.7453 -27.9789 -164.256 PRESSAVG: 2032000 26.6109 -4.28566 -16.7569 -4.2857 -34.7831 -20.7413 -16.7568 -20.7414 15.1482 GPRESSAVG: 2032000 26.4941 -2.58803 -16.9645 -3.38507 -35.2374 -18.9114 -14.7345 -21.4562 16.0393 TIMING: 2032000 CPU: 6126.54, 0.00302175/step Wall: 6126.54, 0.00302175/step, 2.49126 hours remaining, 208.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2032000 790.1519 2059.7850 1928.7793 116.6508 -206417.2491 17606.0107 0.0000 0.0000 34006.4982 -149909.3730 296.9872 -183915.8712 -149811.8503 297.4310 -219.0250 -186.6101 557274.7809 2.3253 2.4320 PRESSURE: 2032200 31.1001 -87.4548 -61.1894 -87.4553 -72.3215 6.8259 -61.189 6.82592 -217.192 GPRESSURE: 2032200 39.4774 -54.1641 -48.028 -86.5816 -50.7689 -56.7226 -38.4489 -47.9159 -146.801 PRESSAVG: 2032200 -17.646 -1.38131 -14.4823 -1.38123 2.11444 -20.676 -14.4823 -20.676 30.5429 GPRESSAVG: 2032200 -17.3041 1.44184 -13.7991 -3.09897 1.0258 -23.4603 -17.364 -20.977 31.9388 TIMING: 2032200 CPU: 6127.15, 0.00303359/step Wall: 6127.15, 0.00303359/step, 2.50086 hours remaining, 208.406250 MB of memory in use. ENERGY: 2032200 749.5653 2123.3556 1926.0075 129.9702 -206681.6050 17699.2691 0.0000 0.0000 34164.9138 -149888.5234 298.3707 -184053.4372 -149791.2659 297.1910 -86.1377 -52.6976 556573.0961 5.0038 5.2202 LDB: ============= START OF LOAD BALANCING ============== 6130.67 LDB: ============== END OF LOAD BALANCING =============== 6130.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6130.67 LDB: ============= START OF LOAD BALANCING ============== 6130.97 LDB: Largest compute 4772 load 0.029544 is 25.0% of average load 0.117984 LDB: Average compute 0.001727 is 1.5% of average load 0.117984 LDB: TIME 6130.98 LOAD: AVG 0.117984 MAX 0.205446 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.215 MB LDB: TIME 6130.98 LOAD: AVG 0.117984 MAX 0.205446 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.418 MB LDB: TIME 6130.98 LOAD: AVG 0.117984 MAX 0.205446 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.418 MB LDB: ============== END OF LOAD BALANCING =============== 6130.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6130.98 PRESSURE: 2032400 -272.037 17.1745 45.6841 17.1732 -22.5137 -41.0307 45.6837 -41.0293 -93.192 GPRESSURE: 2032400 -231.186 117.864 38.2387 74.5845 12.9817 1.96156 -57.9794 -28.1511 -67.781 PRESSAVG: 2032400 20.1202 -18.1497 -29.7623 -18.1497 30.1258 -22.7344 -29.7623 -22.7343 -42.7298 GPRESSAVG: 2032400 19.2662 -20.5484 -28.4053 -16.1604 32.018 -20.152 -29.1384 -23.1417 -43.3496 TIMING: 2032400 CPU: 6127.77, 0.00310705/step Wall: 6127.77, 0.00310705/step, 2.56125 hours remaining, 207.433594 MB of memory in use. ENERGY: 2032400 773.8181 2134.8722 1927.7787 115.8868 -206641.1107 17819.0262 0.0000 0.0000 34089.2462 -149780.4826 297.7099 -183869.7287 -149687.3401 297.2772 -129.2477 -95.3285 557881.7256 2.5054 2.6448 PRESSURE: 2032600 236.555 53.4729 111.042 53.4731 144.326 -43.4598 111.041 -43.4594 -278.466 GPRESSURE: 2032600 300.034 38.1134 127.867 74.3494 93.8763 -81.6822 83.2027 27.2901 -194.026 PRESSAVG: 2032600 19.391 47.8665 4.90837 47.8665 22.003 12.0325 4.90834 12.0325 -62.9148 GPRESSAVG: 2032600 20.4051 47.9051 4.01368 48.173 21.6244 12.7884 5.73731 12.3669 -62.9585 TIMING: 2032600 CPU: 6128.37, 0.00301201/step Wall: 6128.37, 0.00301201/step, 2.48273 hours remaining, 207.503906 MB of memory in use. ENERGY: 2032600 731.7201 2079.2035 1928.6060 109.0154 -206550.4911 17934.5030 0.0000 0.0000 34021.0298 -149746.4133 297.1141 -183767.4431 -149652.3771 298.5803 34.1387 66.6282 557326.1745 -7.1736 -6.9764 PRESSURE: 2032800 242.09 -29.6742 241.804 -29.6734 93.7785 82.1196 241.804 82.1192 377.046 GPRESSURE: 2032800 304.971 58.4953 226.402 -111.798 157.031 71.4712 229.602 34.1434 364.014 PRESSAVG: 2032800 67.8267 -15.321 26.6361 -15.321 23.7939 -10.3898 26.636 -10.39 -76.6472 GPRESSAVG: 2032800 69.1187 -15.2899 24.7524 -16.9054 23.0515 -10.6586 26.922 -9.72239 -76.783 TIMING: 2032800 CPU: 6128.97, 0.00301236/step Wall: 6128.97, 0.00301236/step, 2.48286 hours remaining, 207.503906 MB of memory in use. ENERGY: 2032800 743.5569 2050.6067 1903.6472 109.0106 -207028.1820 18242.2471 0.0000 0.0000 34214.8043 -149764.3092 298.8064 -183979.1134 -149663.7998 297.6250 237.6382 275.3389 555057.7352 4.9912 5.1291 PRESSURE: 2033000 30.951 85.9049 -84.6625 85.9045 -59.9637 5.35149 -84.662 5.35169 56.8098 GPRESSURE: 2033000 77.7308 72.4039 -46.3683 78.7568 -3.68972 -58.14 -61.4336 -32.0601 53.8168 PRESSAVG: 2033000 -20.2448 5.62364 24.1032 5.62359 44.2416 22.51 24.1032 22.5101 17.9323 GPRESSAVG: 2033000 -22.069 6.54406 25.9324 5.74102 43.4613 21.7684 23.6647 21.7366 19.6509 TIMING: 2033000 CPU: 6129.57, 0.00300638/step Wall: 6129.57, 0.00300638/step, 2.47776 hours remaining, 207.503906 MB of memory in use. ENERGY: 2033000 747.5131 2101.9634 1931.8798 115.7266 -206641.5529 17924.1702 0.0000 0.0000 34066.3814 -149753.9184 297.5102 -183820.2998 -149657.2810 297.7337 9.2657 42.6193 557000.4210 13.9764 13.6811 PRESSURE: 2033200 -5.11686 -54.0738 18.5373 -54.0742 18.608 -44.4 18.5377 -44.3986 101.131 GPRESSURE: 2033200 70.1538 -14.8772 6.231 -149.431 2.82717 -94.7145 -9.85903 -79.3683 150.475 PRESSAVG: 2033200 28.4798 -26.7164 -5.59546 -26.7164 -8.12599 -5.97325 -5.59538 -5.97336 18.0265 GPRESSAVG: 2033200 29.0353 -28.3624 -4.71238 -25.655 -8.05054 -6.45464 -7.59119 -4.90922 17.3125 TIMING: 2033200 CPU: 6130.17, 0.00299715/step Wall: 6130.17, 0.00299715/step, 2.46998 hours remaining, 207.503906 MB of memory in use. ENERGY: 2033200 717.5733 2096.0181 1932.6724 113.0122 -206391.1824 17811.6244 0.0000 0.0000 34091.6338 -149628.6482 297.7307 -183720.2820 -149532.3138 297.8401 38.2075 74.4854 556613.3860 12.7934 12.7657 PRESSURE: 2033400 -56.2905 47.3536 -172.912 47.353 -6.18214 137.753 -172.914 137.753 -177.367 GPRESSURE: 2033400 -10.5075 11.2564 -158.4 35.0381 -27.8005 152.33 -173.508 57.1204 -96.3417 PRESSAVG: 2033400 12.1751 -14.0314 -56.7908 -14.0313 89.7605 -6.94491 -56.7908 -6.94486 -80.5034 GPRESSAVG: 2033400 11.3826 -13.3652 -57.3673 -14.0413 90.7949 -7.67275 -53.7164 -6.27884 -80.8807 TIMING: 2033400 CPU: 6130.77, 0.00300084/step Wall: 6130.77, 0.00300084/step, 2.47286 hours remaining, 207.503906 MB of memory in use. ENERGY: 2033400 707.6183 2083.5987 1953.2518 118.6238 -206414.7843 17636.1165 0.0000 0.0000 34169.5406 -149746.0347 298.4111 -183915.5753 -149636.7148 298.0492 -79.9466 -44.8833 554991.3196 7.1441 7.0989 PRESSURE: 2033600 -8.81958 -153.822 -73.4474 -153.821 -61.5463 -43.5392 -73.4486 -43.5402 59.5353 GPRESSURE: 2033600 8.81011 -208.248 -79.7777 -156.283 10.7125 19.1124 -110.698 16.6812 70.1243 PRESSAVG: 2033600 -26.7669 -23.9547 -18.5856 -23.9548 46.3313 46.9565 -18.5855 46.9565 -21.517 GPRESSAVG: 2033600 -26.5557 -23.2904 -18.2307 -24.3481 46.4748 48.8103 -20.6281 46.5869 -21.4745 TIMING: 2033600 CPU: 6131.37, 0.00298348/step Wall: 6131.37, 0.00298348/step, 2.45839 hours remaining, 207.707031 MB of memory in use. ENERGY: 2033600 739.8345 2133.6680 1939.8635 118.0207 -206218.1674 17823.9885 0.0000 0.0000 33865.4730 -149597.3191 295.7556 -183462.7921 -149503.1373 297.6461 -3.6102 29.8823 557223.0712 -0.6509 -0.5185 PRESSURE: 2033800 -10.3465 -22.0254 -153.048 -22.0242 23.4689 -134.308 -153.049 -134.308 -49.5871 GPRESSURE: 2033800 -27.574 -13.7719 -63.5643 9.0431 53.7812 -134.753 -125.341 -119.353 16.4076 PRESSAVG: 2033800 -5.8163 -14.8104 -22.1794 -14.8103 40.0714 -16.2258 -22.1795 -16.2257 -40.055 GPRESSAVG: 2033800 -5.39533 -17.0762 -21.358 -14.1775 39.2735 -17.5952 -22.1807 -16.9117 -40.4727 TIMING: 2033800 CPU: 6131.97, 0.00300811/step Wall: 6131.97, 0.00300811/step, 2.47851 hours remaining, 207.707031 MB of memory in use. ENERGY: 2033800 730.8714 2092.6819 1925.2544 112.7374 -206359.4853 17854.3174 0.0000 0.0000 34078.2513 -149565.3713 297.6138 -183643.6227 -149471.7389 297.9438 -12.1549 14.2049 556800.5043 -1.9333 -2.1982 PRESSURE: 2034000 -75.641 68.2059 -111.729 68.2054 -116.335 12.3937 -111.731 12.3935 -208.876 GPRESSURE: 2034000 -87.6744 -9.00379 -104.717 229.911 -72.5208 -63.4378 -115.243 15.9518 -157.103 PRESSAVG: 2034000 -65.6019 -61.0552 -46.1147 -61.0552 93.7922 -41.4337 -46.1147 -41.4336 -11.9463 GPRESSAVG: 2034000 -65.8567 -59.2326 -49.716 -60.5244 94.1425 -42.1556 -44.7489 -41.103 -11.404 TIMING: 2034000 CPU: 6132.57, 0.00297754/step Wall: 6132.57, 0.00297754/step, 2.45316 hours remaining, 207.707031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2034000 701.3411 2037.1228 1929.8612 124.1514 -205978.9911 17528.1301 0.0000 0.0000 34116.9144 -149541.4701 297.9515 -183658.3845 -149436.9215 298.6404 -133.6172 -105.7662 558436.6841 5.4147 5.6273 PRESSURE: 2034200 -53.0852 40.6584 29.4358 40.6576 66.1638 96.3924 29.4357 96.3943 -91.6588 GPRESSURE: 2034200 14.7458 33.8385 -58.8903 8.08252 30.6434 20.8559 141.316 77.0178 -17.3075 PRESSAVG: 2034200 -69.4099 54.9176 21.6419 54.9176 92.2733 -24.6471 21.6419 -24.6472 12.1108 GPRESSAVG: 2034200 -69.6905 54.6475 24.356 54.3008 93.2325 -22.8914 19.9723 -25.4726 11.3218 TIMING: 2034200 CPU: 6133.17, 0.00299697/step Wall: 6133.17, 0.00299697/step, 2.469 hours remaining, 207.707031 MB of memory in use. ENERGY: 2034200 749.9982 2105.2214 1916.3077 130.0365 -206505.9432 17954.6185 0.0000 0.0000 34177.8342 -149471.9267 298.4835 -183649.7609 -149386.1246 298.6336 -26.1934 9.3606 557651.9303 11.6581 11.6213 PRESSURE: 2034400 36.421 66.9871 -46.5506 66.9872 -80.6589 53.0418 -46.551 53.0424 32.88 GPRESSURE: 2034400 65.9069 44.7522 -24.7507 52.7977 -31.1467 208.2 -61.9375 -32.3738 54.4156 PRESSAVG: 2034400 -10.0301 1.30827 -21.1976 1.3082 -19.1629 -13.7054 -21.1976 -13.7054 40.2623 GPRESSAVG: 2034400 -8.47412 3.91524 -21.7195 -0.134759 -20.8041 -14.4438 -19.0121 -11.0046 40.34 TIMING: 2034400 CPU: 6133.76, 0.00298499/step Wall: 6133.76, 0.00298499/step, 2.45897 hours remaining, 207.707031 MB of memory in use. ENERGY: 2034400 738.6298 2113.8522 1921.1387 111.0107 -206204.0371 17876.5171 0.0000 0.0000 33922.0284 -149520.8601 296.2495 -183442.8885 -149431.3794 298.4235 -3.7860 29.7253 557191.5420 3.6898 3.6873 PRESSURE: 2034600 -239.442 39.3473 57.6515 39.346 -288.918 -45.6515 57.6518 -45.6517 -185.766 GPRESSURE: 2034600 -194.615 29.3009 72.3358 16.1907 -245.338 -59.729 49.5649 -24.236 -186.884 PRESSAVG: 2034600 -2.35457 -20.4754 3.56774 -20.4754 -15.6948 -59.5739 3.56768 -59.5739 24.0048 GPRESSAVG: 2034600 -4.08531 -21.9633 3.50382 -19.7322 -14.6499 -59.603 3.8074 -60.2961 23.9835 TIMING: 2034600 CPU: 6134.36, 0.00299409/step Wall: 6134.36, 0.00299409/step, 2.4663 hours remaining, 207.707031 MB of memory in use. ENERGY: 2034600 753.8357 2064.1121 1935.2060 129.6875 -205913.7120 17337.8974 0.0000 0.0000 34471.4809 -149221.4925 301.0480 -183692.9734 -149121.1678 298.6587 -238.0419 -208.9455 557436.8811 1.9852 1.7494 PRESSURE: 2034800 -238.495 111.944 47.9939 111.943 -45.9319 64.6041 47.9926 64.6036 -133.942 GPRESSURE: 2034800 -158.433 100.117 -13.8935 173.205 -24.7324 94.3007 50.1656 42.7876 -142.295 PRESSAVG: 2034800 23.4245 -26.7423 40.711 -26.7423 36.2003 8.33476 40.711 8.33477 -52.6012 GPRESSAVG: 2034800 23.621 -26.8259 40.5384 -27.0781 35.5875 9.73896 40.3427 5.99259 -52.2939 TIMING: 2034800 CPU: 6134.96, 0.00299622/step Wall: 6134.96, 0.00299622/step, 2.46789 hours remaining, 207.707031 MB of memory in use. ENERGY: 2034800 766.1735 2068.4824 1922.3971 107.1639 -206095.6171 17581.8311 0.0000 0.0000 34380.3879 -149269.1814 300.2525 -183649.5693 -149175.7886 299.8282 -139.4562 -108.4867 556341.2030 2.3412 2.3049 PRESSURE: 2035000 109.867 161.869 60.6758 161.869 118.837 56.3722 60.6765 56.3698 -34.8579 GPRESSURE: 2035000 148.949 199.019 -1.68618 144.339 150.839 62.7041 35.6954 -53.7704 -13.8463 PRESSAVG: 2035000 -48.5792 22.941 32.3822 22.941 90.2303 22.3662 32.3822 22.3662 -24.867 GPRESSAVG: 2035000 -47.7769 23.256 32.2646 24.4046 91.1043 21.7275 31.0477 24.2174 -26.607 TIMING: 2035000 CPU: 6135.56, 0.00301734/step Wall: 6135.56, 0.00301734/step, 2.48512 hours remaining, 207.707031 MB of memory in use. ENERGY: 2035000 768.4999 2110.7202 1942.0494 110.5928 -206189.8619 17922.8137 0.0000 0.0000 34112.7566 -149222.4293 297.9152 -183335.1859 -149132.9808 299.3304 64.6154 95.3141 556876.9046 5.5947 5.5734 PRESSURE: 2035200 138.458 -53.0297 -131.56 -53.0287 32.7145 91.5994 -131.56 91.5993 74.8053 GPRESSURE: 2035200 237.482 -45.3726 -200.016 -39.3018 25.0969 103.768 -150.355 52.9476 77.6723 PRESSAVG: 2035200 -38.3228 29.4967 -0.410549 29.4966 70.4211 -42.9079 -0.410519 -42.908 -63.0053 GPRESSAVG: 2035200 -38.267 30.6001 -0.2965 28.2883 69.0169 -43.0568 -0.896155 -42.1536 -61.6041 TIMING: 2035200 CPU: 6136.17, 0.00300301/step Wall: 6136.17, 0.00300301/step, 2.47315 hours remaining, 207.707031 MB of memory in use. ENERGY: 2035200 746.7193 2029.7571 1936.9665 113.5143 -206133.7827 17893.0235 0.0000 0.0000 34151.3867 -149262.4152 298.2526 -183413.8019 -149166.8504 298.5997 81.9927 113.4172 556836.1759 -10.3023 -10.2847 PRESSURE: 2035400 46.1949 -3.48247 11.9202 -3.48404 -215.672 -17.5717 11.92 -17.5716 -23.0056 GPRESSURE: 2035400 72.4615 -9.60307 0.0462307 33.6292 -181.486 10.3669 50.0423 -46.1155 14.4247 PRESSAVG: 2035400 7.12013 -28.1139 -5.76436 -28.114 -70.8841 -44.2106 -5.76432 -44.2106 57.1704 GPRESSAVG: 2035400 7.70244 -30.1735 -5.14066 -27.178 -70.3935 -43.7289 -3.98121 -44.3298 56.5609 TIMING: 2035400 CPU: 6136.77, 0.00303305/step Wall: 6136.77, 0.00303305/step, 2.49771 hours remaining, 207.707031 MB of memory in use. ENERGY: 2035400 733.1890 2093.4130 1935.9369 108.9066 -205914.1430 17541.7190 0.0000 0.0000 34353.4655 -149147.5131 300.0174 -183500.9786 -149053.4159 299.0104 -64.1607 -31.5332 557125.3809 -2.1979 -2.0434 PRESSURE: 2035600 -172.157 -66.2514 -45.8075 -66.2519 -54.3403 39.8015 -45.8074 39.8013 1.83413 GPRESSURE: 2035600 -164.993 -26.6859 -16.8513 -61.2042 14.7827 91.96 -95.8481 -18.045 33.8523 PRESSAVG: 2035600 -22.5695 28.0102 -9.64283 28.0102 30.3222 -0.0409589 -9.6428 -0.0409809 2.38497 GPRESSAVG: 2035600 -23.6333 26.9043 -9.4436 30.051 31.0345 -0.709297 -10.5483 0.585857 3.19944 TIMING: 2035600 CPU: 6137.38, 0.00303544/step Wall: 6137.38, 0.00303544/step, 2.49951 hours remaining, 207.707031 MB of memory in use. ENERGY: 2035600 773.8788 2089.3930 1931.1726 103.1699 -206067.4679 17840.9681 0.0000 0.0000 34221.1758 -149107.7097 298.8620 -183328.8855 -149016.7848 299.7710 -74.8877 -38.7861 558138.5882 3.3792 3.5335 PRESSURE: 2035800 -73.3981 -74.3569 78.6248 -74.3567 -12.441 65.6601 78.6246 65.6606 90.9055 GPRESSURE: 2035800 3.41891 -66.766 105.834 -100.089 -1.15973 -11.1562 -17.2565 72.7641 87.213 PRESSAVG: 2035800 -7.54776 -2.90246 9.07959 -2.90243 9.30759 -29.4418 9.07954 -29.4418 31.5252 GPRESSAVG: 2035800 -7.5076 -2.38131 8.02099 -5.6515 8.57378 -29.5008 7.94565 -32.9611 31.9306 TIMING: 2035800 CPU: 6137.99, 0.00305613/step Wall: 6137.99, 0.00305613/step, 2.51638 hours remaining, 207.707031 MB of memory in use. ENERGY: 2035800 753.5078 2066.1014 1921.8809 105.1819 -206373.6561 17916.8757 0.0000 0.0000 34401.8817 -149208.2267 300.4402 -183610.1084 -149110.0362 299.5911 1.6888 29.8241 558179.9828 11.0950 10.9989 PRESSURE: 2036000 205.278 132.313 233.938 132.314 -5.97477 -58.1159 233.938 -58.114 249.311 GPRESSURE: 2036000 289.725 104.111 256.49 171.378 -56.5618 22.9499 194.332 -63.742 298.473 PRESSAVG: 2036000 -44.5142 63.884 50.9646 63.8841 26.3891 19.364 50.9645 19.364 46.0302 GPRESSAVG: 2036000 -44.0122 65.5412 48.6167 64.8317 25.7193 21.1722 52.8284 21.6236 46.4366 TIMING: 2036000 CPU: 6138.59, 0.00301826/step Wall: 6138.59, 0.00301826/step, 2.48503 hours remaining, 207.707031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2036000 754.0122 2051.2651 1938.8365 109.7485 -206402.6791 18021.8814 0.0000 0.0000 34207.8041 -149319.1313 298.7453 -183526.9353 -149224.3527 298.7029 149.5381 177.2120 557392.7176 9.3017 9.3812 PRESSURE: 2036200 96.4741 -145.713 12.2649 -145.714 -212.811 -37.1506 12.2634 -37.1498 106.065 GPRESSURE: 2036200 73.5464 -121.866 -57.5948 -157.945 -178.645 -49.9727 -17.7589 -103.512 195.439 PRESSAVG: 2036200 -75.7444 63.7345 60.2844 63.7345 -11.0369 -13.9639 60.2844 -13.9639 69.3301 GPRESSAVG: 2036200 -75.391 62.3554 64.5864 64.6265 -10.0318 -16.0145 59.6018 -13.345 68.0254 TIMING: 2036200 CPU: 6139.21, 0.00306446/step Wall: 6139.21, 0.00306446/step, 2.5229 hours remaining, 207.707031 MB of memory in use. ENERGY: 2036200 751.9486 2100.7297 1898.4427 132.8216 -206269.4034 17832.2736 0.0000 0.0000 34200.1144 -149353.0727 298.6781 -183553.1871 -149252.0208 298.2997 -3.4240 30.1137 556017.2279 -5.8171 -5.7991 LDB: ============= START OF LOAD BALANCING ============== 6142.73 LDB: ============== END OF LOAD BALANCING =============== 6142.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6142.73 LDB: ============= START OF LOAD BALANCING ============== 6143.03 LDB: Largest compute 4772 load 0.029472 is 25.0% of average load 0.118055 LDB: Average compute 0.001731 is 1.5% of average load 0.118055 LDB: TIME 6143.03 LOAD: AVG 0.118055 MAX 0.207613 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.121 MB LDB: TIME 6143.03 LOAD: AVG 0.118055 MAX 0.207613 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.121 MB LDB: TIME 6143.03 LOAD: AVG 0.118055 MAX 0.207613 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.121 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6143.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6143.04 PRESSURE: 2036400 -59.0561 67.7463 -13.0886 67.7473 -90.5956 -116.2 -13.0896 -116.198 37.1332 GPRESSURE: 2036400 -34.264 53.6744 -70.6685 23.2234 -53.8866 -45.7135 -0.79684 -59.7762 61.7303 PRESSAVG: 2036400 39.6461 37.4401 -0.268912 37.44 -62.1233 -4.81251 -0.268812 -4.8124 -30.4053 GPRESSAVG: 2036400 38.1648 38.0423 -2.71972 36.6624 -61.9041 -3.55784 0.336188 -6.08249 -29.2758 TIMING: 2036400 CPU: 6139.82, 0.00308068/step Wall: 6139.82, 0.00308068/step, 2.53608 hours remaining, 208.527344 MB of memory in use. ENERGY: 2036400 752.1342 2041.9334 1895.0264 113.0054 -206099.1366 17681.5456 0.0000 0.0000 34190.6535 -149424.8380 298.5955 -183615.4915 -149324.1802 298.6550 -37.5062 -8.8068 556474.1826 -17.6275 -17.6717 PRESSURE: 2036600 -191.116 -127.112 -5.28114 -127.113 69.8797 -45.4109 -5.28069 -45.4113 205.047 GPRESSURE: 2036600 -144.564 -15.0539 -103.944 -184.058 104.437 -14.0804 -26.6381 -39.5936 209.667 PRESSAVG: 2036600 -33.2378 5.69823 -18.7451 5.69832 47.9625 0.866987 -18.7451 0.866904 27.9599 GPRESSAVG: 2036600 -32.7546 5.40105 -16.2525 6.02091 47.1907 -0.184317 -22.6467 2.51782 27.8801 TIMING: 2036600 CPU: 6140.43, 0.00303648/step Wall: 6140.43, 0.00303648/step, 2.49953 hours remaining, 208.593750 MB of memory in use. ENERGY: 2036600 732.1840 2063.8202 1926.4731 123.8722 -206270.2365 17849.8764 0.0000 0.0000 34173.5236 -149400.4871 298.4459 -183574.0108 -149304.5400 298.5490 27.9368 56.5135 556286.9233 14.2282 14.1054 PRESSURE: 2036800 26.5363 159.014 -64.5244 159.014 27.5973 -83.9413 -64.5248 -83.9418 -10.9976 GPRESSURE: 2036800 89.9586 82.7916 -12.0635 255.476 50.1875 -62.7638 -58.1861 -141.333 -10.6142 PRESSAVG: 2036800 13.7062 -1.05124 91.9592 -1.05118 -54.1886 -10.8515 91.9593 -10.8514 93.5832 GPRESSAVG: 2036800 14.9185 -1.5559 90.2288 -1.6592 -53.9678 -9.22207 94.1774 -14.0407 92.2672 TIMING: 2036800 CPU: 6141.04, 0.0030479/step Wall: 6141.04, 0.0030479/step, 2.50876 hours remaining, 208.593750 MB of memory in use. ENERGY: 2036800 790.3901 2153.4709 1939.8335 109.9975 -206438.4749 18056.3031 0.0000 0.0000 34123.5833 -149264.8964 298.0097 -183388.4797 -149170.2064 298.0180 14.3787 43.1773 558524.9518 17.7003 17.7393 PRESSURE: 2037000 -192.168 -96.942 -108.898 -96.941 -281.574 -47.7911 -108.898 -47.7921 91.8132 GPRESSURE: 2037000 -170.392 -216.408 -31.8258 -97.1374 -231.67 -7.53686 -74.3451 -90.6201 126.436 PRESSAVG: 2037000 -37.9978 24.4595 20.8218 24.4596 4.60686 -8.14532 20.8217 -8.14533 10.9488 GPRESSAVG: 2037000 -38.8777 22.6446 19.7785 25.2431 4.95024 -8.96733 21.7887 -6.47946 11.4841 TIMING: 2037000 CPU: 6141.65, 0.00303162/step Wall: 6141.65, 0.00303162/step, 2.49519 hours remaining, 208.593750 MB of memory in use. ENERGY: 2037000 734.9100 2139.3440 1918.8991 106.2001 -205989.3337 17581.8034 0.0000 0.0000 34320.5779 -149187.5992 299.7301 -183508.1770 -149083.4133 299.6125 -127.3096 -91.8751 558229.2948 -7.4807 -7.4811 PRESSURE: 2037200 20.1461 -39.7424 -61.7674 -39.7422 70.1982 -154.07 -61.7669 -154.07 -88.2354 GPRESSURE: 2037200 55.0514 4.57536 -17.6821 -114.262 86.9862 -209.856 -42.2626 -165.672 -42.7437 PRESSAVG: 2037200 1.46042 37.4241 -32.1863 37.4242 -21.4354 8.11857 -32.1863 8.11859 8.91922 GPRESSAVG: 2037200 2.47522 40.2252 -31.2507 36.952 -22.1476 7.1576 -32.9604 8.45302 9.07408 TIMING: 2037200 CPU: 6142.25, 0.00302371/step Wall: 6142.25, 0.00302371/step, 2.48852 hours remaining, 208.593750 MB of memory in use. ENERGY: 2037200 762.7009 2096.5694 1915.6929 102.2267 -206186.2838 17908.6333 0.0000 0.0000 34314.4546 -149086.0059 299.6767 -183400.4605 -148997.7169 299.1125 0.7030 33.0980 557994.0972 -3.6852 -3.5328 PRESSURE: 2037400 -119.954 56.2762 76.1381 56.276 -303.513 46.945 76.1389 46.9448 65.2795 GPRESSURE: 2037400 -93.0661 38.467 81.4409 132.116 -256.843 19.1149 77.5345 53.2954 95.7508 PRESSAVG: 2037400 19.9722 79.4756 -23.4201 79.4756 -78.1605 -29.4497 -23.4201 -29.4495 18.55 GPRESSAVG: 2037400 18.4476 78.5263 -24.2671 79.3827 -78.0096 -26.3458 -22.4313 -30.5949 19.5547 TIMING: 2037400 CPU: 6142.86, 0.00303112/step Wall: 6142.86, 0.00303112/step, 2.49445 hours remaining, 208.593750 MB of memory in use. ENERGY: 2037400 747.1334 2117.1404 1910.9688 105.9759 -206145.0024 17657.5230 0.0000 0.0000 34487.2030 -149119.0578 301.1853 -183606.2608 -149012.7307 299.8741 -119.3959 -84.7195 557176.4209 -13.2128 -13.3358 PRESSURE: 2037600 -436.991 177.414 33.9628 177.415 151.238 -49.363 33.9625 -49.3635 -59.3695 GPRESSURE: 2037600 -415.027 169.107 -12.2522 111.138 209.714 -64.5506 -29.8833 -56.2218 -39.28 PRESSAVG: 2037600 18.6488 51.2961 -8.29444 51.296 -77.4989 -38.2808 -8.29432 -38.2808 63.2138 GPRESSAVG: 2037600 20.236 53.615 -7.39731 50.9053 -76.7793 -40.1093 -7.70821 -37.7014 61.0478 TIMING: 2037600 CPU: 6143.46, 0.00302397/step Wall: 6143.46, 0.00302397/step, 2.48839 hours remaining, 208.593750 MB of memory in use. ENERGY: 2037600 776.5563 2060.8629 1897.9889 100.8423 -206741.0461 18024.1551 0.0000 0.0000 34526.6867 -149353.9540 301.5301 -183880.6407 -149250.9395 299.4996 -115.0409 -81.5309 557668.7740 1.4546 1.5015 PRESSURE: 2037800 -71.5892 54.1886 -74.3197 54.1888 -182.858 -202.466 -74.3183 -202.467 -76.6656 GPRESSURE: 2037800 -87.4687 -8.23694 -129.935 24.3235 -143.124 -210.595 6.39697 -203.551 4.03332 PRESSAVG: 2037800 -3.18157 38.664 -22.6104 38.6642 76.0588 -63.1673 -22.6105 -63.1675 -44.1005 GPRESSAVG: 2037800 -4.12058 36.5798 -20.7724 37.8979 75.1261 -63.9372 -22.2345 -61.9009 -42.2718 TIMING: 2037800 CPU: 6144.07, 0.00302512/step Wall: 6144.07, 0.00302512/step, 2.48917 hours remaining, 208.593750 MB of memory in use. ENERGY: 2037800 753.4808 2109.3504 1888.5762 108.8714 -206361.3223 17839.1023 0.0000 0.0000 34160.8834 -149501.0579 298.3355 -183661.9413 -149410.5089 299.4056 -110.3710 -75.5197 557797.0150 9.5922 9.5779 PRESSURE: 2038000 40.4057 -53.9417 -45.1286 -53.9403 -0.755522 173.305 -45.129 173.306 -270.402 GPRESSURE: 2038000 76.0442 -43.9948 58.6306 26.7913 25.0613 147.761 -73.0681 171.081 -223.284 PRESSAVG: 2038000 -43.5767 9.64042 4.89373 9.64049 15.5063 -30.4514 4.89369 -30.4514 9.39523 GPRESSAVG: 2038000 -43.2201 12.1505 4.30814 10.5032 16.3418 -30.2205 3.82328 -31.8524 8.14396 TIMING: 2038000 CPU: 6144.67, 0.00303238/step Wall: 6144.67, 0.00303238/step, 2.49498 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: 2038000 732.4333 2071.4126 1938.8663 110.2608 -206223.8555 17795.7622 0.0000 0.0000 34289.9325 -149285.1878 299.4625 -183575.1203 -149189.4205 299.0970 -76.9172 -40.7261 557600.3831 -6.2251 -6.2448 PRESSURE: 2038200 78.4414 26.1493 -62.4534 26.1483 19.8478 -6.54491 -62.4534 -6.54553 -117.629 GPRESSURE: 2038200 137.791 44.0427 -54.4036 90.6234 -13.7703 63.5373 -38.4795 35.2312 -44.6805 PRESSAVG: 2038200 23.058 22.476 -25.2554 22.476 48.9515 9.71865 -25.2555 9.71869 -48.5803 GPRESSAVG: 2038200 23.5854 20.7997 -24.5242 21.8226 48.6737 13.3459 -25.1703 9.19897 -48.7642 TIMING: 2038200 CPU: 6145.27, 0.0029998/step Wall: 6145.27, 0.0029998/step, 2.468 hours remaining, 208.593750 MB of memory in use. ENERGY: 2038200 724.5484 2114.9740 1911.4124 107.1781 -206347.7064 17919.4368 0.0000 0.0000 34220.8279 -149349.3288 298.8590 -183570.1567 -149249.7581 298.3904 -6.4465 26.4468 557775.9118 7.8097 7.8316 PRESSURE: 2038400 175.717 191.595 35.6489 191.596 26.5272 84.4722 35.6493 84.4726 -319.865 GPRESSURE: 2038400 153.228 219.606 66.4512 109.147 100.466 102.938 -25.517 85.5303 -281.801 PRESSAVG: 2038400 5.32533 0.925187 6.74336 0.925151 -20.0835 44.8029 6.74336 44.8027 6.9689 GPRESSAVG: 2038400 3.21828 0.933222 5.40379 2.52746 -18.9001 41.9129 6.58647 45.8961 8.0819 TIMING: 2038400 CPU: 6145.87, 0.00298558/step Wall: 6145.87, 0.00298558/step, 2.45614 hours remaining, 208.593750 MB of memory in use. ENERGY: 2038400 738.8117 2076.5497 1931.6647 115.6270 -206054.4468 17593.8027 0.0000 0.0000 34226.3221 -149371.6689 298.9070 -183597.9910 -149271.7330 298.1691 -39.2072 -9.3691 556998.5250 -2.5964 -2.5333 PRESSURE: 2038600 107.483 1.29108 17.7214 1.29136 247.235 66.3134 17.7206 66.3131 -77.5339 GPRESSURE: 2038600 120.527 -69.5201 -85.7999 19.5959 269.445 55.6769 17.1879 47.0629 1.77889 PRESSAVG: 2038600 42.2953 15.4609 -1.19397 15.4609 -6.90332 39.1898 -1.19402 39.1897 -48.345 GPRESSAVG: 2038600 43.3645 15.279 -1.74934 14.698 -6.88434 39.1349 0.887893 39.0923 -49.1289 TIMING: 2038600 CPU: 6146.47, 0.00299463/step Wall: 6146.47, 0.00299463/step, 2.46342 hours remaining, 208.593750 MB of memory in use. ENERGY: 2038600 725.7290 2032.5613 1942.7080 103.9813 -206412.4350 17962.4098 0.0000 0.0000 34394.6262 -149250.4194 300.3768 -183645.0456 -149150.2761 298.4349 92.3950 130.5838 556547.7117 -4.3177 -4.2163 PRESSURE: 2038800 -247.487 69.3559 15.2416 69.356 -288.248 46.8847 15.2434 46.8873 -48.0255 GPRESSURE: 2038800 -221.164 30.9506 -28.0932 65.8914 -198.719 149.557 -28.9385 -111.084 -56.0083 PRESSAVG: 2038800 -18.6001 -9.28222 -44.9999 -9.28223 -32.4932 -32.5172 -45 -32.5171 -12.6703 GPRESSAVG: 2038800 -17.6693 -7.84613 -43.343 -10.2597 -34.1248 -31.8884 -49.3069 -32.1853 -11.9197 TIMING: 2038800 CPU: 6147.07, 0.00300449/step Wall: 6147.07, 0.00300449/step, 2.47136 hours remaining, 208.593750 MB of memory in use. ENERGY: 2038800 730.4272 2104.3052 1919.5930 111.1195 -206284.8519 17699.0638 0.0000 0.0000 34328.5160 -149391.8272 299.7995 -183720.3432 -149297.3478 299.2112 -194.5867 -158.6305 557223.7250 -21.2545 -21.2379 PRESSURE: 2039000 -65.4125 8.31419 29.8153 8.31427 -33.8939 38.1999 29.8155 38.2 -284.009 GPRESSURE: 2039000 -31.2398 -10.8872 -5.03596 -67.756 3.60624 -6.41078 158.5 15.0898 -252.912 PRESSAVG: 2039000 -29.3925 -63.0992 -68.2575 -63.0992 6.96023 7.86711 -68.2575 7.86708 39.1307 GPRESSAVG: 2039000 -31.1708 -62.5508 -68.9932 -64.0154 8.51598 6.38881 -65.493 8.00819 39.2622 TIMING: 2039000 CPU: 6147.67, 0.00300183/step Wall: 6147.67, 0.00300183/step, 2.469 hours remaining, 208.593750 MB of memory in use. ENERGY: 2039000 737.0039 2080.4088 1942.2506 111.1731 -206056.4523 17714.7950 0.0000 0.0000 34175.0328 -149295.7880 298.4591 -183470.8208 -149202.3417 299.1192 -127.7717 -93.5151 558564.4995 5.5661 5.5358 PRESSURE: 2039200 -30.5072 -86.7589 -120.842 -86.7584 -2.56353 -43.4624 -120.843 -43.4629 -222.903 GPRESSURE: 2039200 33.12 -122.642 -181.04 -77.0815 3.74104 -76.2979 -51.2372 -52.5378 -208.949 PRESSAVG: 2039200 -47.3298 -10.9334 -8.62774 -10.9334 6.6653 -26.5343 -8.62769 -26.5344 1.04133 GPRESSAVG: 2039200 -45.3265 -12.348 -8.88862 -7.84963 5.67942 -26.378 -8.20439 -26.3588 0.288331 TIMING: 2039200 CPU: 6148.28, 0.00305888/step Wall: 6148.28, 0.00305888/step, 2.51576 hours remaining, 208.593750 MB of memory in use. ENERGY: 2039200 721.3913 2066.5398 1923.3328 123.0904 -206190.4896 17812.6533 0.0000 0.0000 34165.9938 -149377.4882 298.3801 -183543.4821 -149282.3754 298.7785 -85.3245 -57.3625 557581.2057 -13.2077 -13.1196 PRESSURE: 2039400 65.5272 10.2055 -37.9733 10.2051 110.471 -104.228 -37.9743 -104.229 68.4864 GPRESSURE: 2039400 157.4 -27.3115 -64.7603 25.9333 135.438 -133.088 18.6491 -129.826 61.7908 PRESSAVG: 2039400 -96.097 -53.3988 -9.38237 -53.3988 77.1719 -25.5017 -9.38229 -25.5018 -26.1533 GPRESSAVG: 2039400 -95.4226 -52.874 -7.74672 -54.512 76.307 -25.2149 -11.5128 -25.7697 -25.7313 TIMING: 2039400 CPU: 6148.88, 0.00300549/step Wall: 6148.88, 0.00300549/step, 2.47168 hours remaining, 208.593750 MB of memory in use. ENERGY: 2039400 707.5611 2047.9108 1916.0517 111.7394 -206354.4281 18025.0212 0.0000 0.0000 34121.2650 -149424.8790 297.9895 -183546.1440 -149330.4188 297.8116 81.4948 118.2095 557563.7734 -15.0261 -14.9490 PRESSURE: 2039600 54.1114 87.8761 19.8428 87.8761 43.4603 -23.7568 19.8436 -23.7567 346.121 GPRESSURE: 2039600 119.092 15.7044 103.973 151.404 54.1395 -40.6699 22.5 32.9004 378.028 PRESSAVG: 2039600 13.493 -25.567 -47.0811 -25.567 -73.4648 -60.1025 -47.081 -60.1025 45.413 GPRESSAVG: 2039600 12.378 -30.0933 -48.8779 -24.4039 -72.3864 -59.5588 -44.8956 -61.2651 45.0327 TIMING: 2039600 CPU: 6149.49, 0.003015/step Wall: 6149.49, 0.003015/step, 2.47933 hours remaining, 208.593750 MB of memory in use. ENERGY: 2039600 714.3852 2051.4776 1937.0444 99.4494 -206490.5303 18096.9951 0.0000 0.0000 34218.2733 -149372.9053 298.8367 -183591.1786 -149284.6448 298.4857 147.8975 183.7531 557041.9682 -4.8529 -4.9919 PRESSURE: 2039800 22.7126 -34.3731 -33.7329 -34.374 -411.428 -154.815 -33.7327 -154.816 175.952 GPRESSURE: 2039800 73.8227 -68.7036 -58.9674 -30.9796 -388.963 -115.202 5.00292 -162.991 197.406 PRESSAVG: 2039800 -10.2911 -47.4298 -22.3646 -47.4298 -86.8219 -79.292 -22.3646 -79.292 61.9117 GPRESSAVG: 2039800 -8.53587 -44.4054 -21.3014 -47.413 -87.1004 -78.0585 -23.0151 -79.0333 60.8707 TIMING: 2039800 CPU: 6150.08, 0.00297599/step Wall: 6150.08, 0.00297599/step, 2.44709 hours remaining, 208.593750 MB of memory in use. ENERGY: 2039800 768.4094 2024.3668 1943.7533 99.7554 -205767.7366 17641.4847 0.0000 0.0000 33965.7031 -149324.2640 296.6309 -183289.9670 -149232.6365 297.9264 -70.9209 -39.2447 558586.3307 -11.7338 -11.5885 PRESSURE: 2040000 123.858 -208.687 -89.5784 -208.687 -15.4478 -39.3339 -89.5781 -39.3342 -181.199 GPRESSURE: 2040000 175.333 -161.972 -55.7259 -265.845 -13.9739 -60.8395 -58.2639 33.5551 -151.945 PRESSAVG: 2040000 60.1266 -36.7461 -42.4614 -36.746 -11.638 -70.4051 -42.4614 -70.405 -12.7573 GPRESSAVG: 2040000 58.2018 -37.2951 -42.6269 -39.0659 -11.6063 -71.2832 -43.7894 -70.9818 -11.3031 TIMING: 2040000 CPU: 6150.68, 0.00301395/step Wall: 6150.68, 0.00301395/step, 2.47814 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: 2040000 741.7437 2106.2334 1922.2922 112.5658 -206152.6255 17869.2802 0.0000 0.0000 34002.3365 -149398.1738 296.9509 -183400.5102 -149299.6402 298.7675 -24.2630 3.1379 558741.2110 11.9104 11.7641 PRESSURE: 2040200 -185.838 41.2516 41.1155 41.2499 -162.365 -220.267 41.116 -220.266 221.69 GPRESSURE: 2040200 -171.529 13.146 77.5324 -22.0539 -131.178 -218.884 -20.945 -181.949 273.741 PRESSAVG: 2040200 36.4895 -72.8483 -15.7201 -72.8483 -81.4633 -38.2576 -15.72 -38.2576 56.3864 GPRESSAVG: 2040200 37.3319 -71.1522 -16.3404 -72.7948 -80.5789 -38.6392 -14.5372 -35.1952 54.6547 TIMING: 2040200 CPU: 6151.29, 0.00302006/step Wall: 6151.29, 0.00302006/step, 2.48299 hours remaining, 208.593750 MB of memory in use. ENERGY: 2040200 728.1903 2098.8479 1923.1012 116.4007 -206352.2185 17725.1713 0.0000 0.0000 34303.5476 -149456.9595 299.5814 -183760.5071 -149361.3293 298.6130 -42.1710 -9.6553 557025.8841 3.8042 3.8026 LDB: ============= START OF LOAD BALANCING ============== 6154.81 LDB: ============== END OF LOAD BALANCING =============== 6154.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6154.81 LDB: ============= START OF LOAD BALANCING ============== 6155.11 LDB: Largest compute 4772 load 0.029797 is 25.2% of average load 0.118019 LDB: Average compute 0.001729 is 1.5% of average load 0.118019 LDB: TIME 6155.11 LOAD: AVG 0.118019 MAX 0.208008 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.039 MB LDB: TIME 6155.11 LOAD: AVG 0.118019 MAX 0.208008 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.242 MB LDB: TIME 6155.11 LOAD: AVG 0.118019 MAX 0.208008 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.242 MB LDB: ============== END OF LOAD BALANCING =============== 6155.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6155.12 PRESSURE: 2040400 -204.882 -89.8558 -27.9122 -89.8544 -216.936 -72.5752 -27.9127 -72.5739 -129.177 GPRESSURE: 2040400 -188.077 60.1278 -75.1944 -143.52 -168.407 -126.952 73.2487 -50.8171 -96.0615 PRESSAVG: 2040400 -41.5971 -15.6853 10.3594 -15.6852 -14.1782 39.7786 10.3594 39.7785 39.8889 GPRESSAVG: 2040400 -41.8329 -16.3262 11.3169 -12.7997 -14.8159 39.9911 10.2893 36.8648 41.1224 TIMING: 2040400 CPU: 6151.9, 0.00305784/step Wall: 6151.9, 0.00305784/step, 2.51388 hours remaining, 206.734375 MB of memory in use. ENERGY: 2040400 788.7517 2085.9501 1935.5823 111.9530 -206076.4959 17707.5681 0.0000 0.0000 34083.3818 -149363.3088 297.6587 -183446.6907 -149261.4546 299.2137 -183.6650 -150.8487 557303.7982 -5.2955 -5.1755 PRESSURE: 2040600 64.7775 85.1293 130.884 85.1293 -159.621 131.241 130.884 131.242 -107.045 GPRESSURE: 2040600 142.031 92.9541 177.407 49.3245 -121.038 187.502 63.4911 69.5042 -116.835 PRESSAVG: 2040600 30.5971 28.8614 25.9909 28.8615 -51.0867 -32.3189 25.991 -32.3189 34.8552 GPRESSAVG: 2040600 30.4385 28.8363 26.1652 26.291 -50.8145 -35.4303 26.3736 -29.1756 34.391 TIMING: 2040600 CPU: 6152.5, 0.00301124/step Wall: 6152.5, 0.00301124/step, 2.47541 hours remaining, 206.734375 MB of memory in use. ENERGY: 2040600 782.2066 2108.2254 1927.2542 113.1417 -206421.0139 17870.7986 0.0000 0.0000 34105.5034 -149513.8840 297.8518 -183619.3875 -149412.5857 298.9548 -67.2963 -31.9474 556792.5716 4.7885 4.6717 PRESSURE: 2040800 64.987 116.425 -34.9376 116.426 135.844 -62.2941 -34.9382 -62.2931 182.886 GPRESSURE: 2040800 133.322 197.324 -21.8162 146.731 83.211 -192.29 -27.1319 52.9127 258.506 PRESSAVG: 2040800 39.2885 29.483 21.1673 29.4831 -64.3849 -22.101 21.1672 -22.1011 56.9299 GPRESSAVG: 2040800 38.6646 29.7203 21.0059 30.6259 -63.7198 -18.7196 21.356 -24.499 56.6682 TIMING: 2040800 CPU: 6153.1, 0.00301164/step Wall: 6153.1, 0.00301164/step, 2.47557 hours remaining, 206.734375 MB of memory in use. ENERGY: 2040800 709.0408 2102.3254 1921.0346 112.1943 -206691.2006 18204.2892 0.0000 0.0000 34068.1381 -149574.1782 297.5255 -183642.3163 -149471.8353 298.3431 127.9054 158.3463 556816.5750 10.6112 10.5377 PRESSURE: 2041000 -33.3045 -39.2865 88.2399 -39.2863 -21.4516 -117.965 88.2397 -117.966 239.121 GPRESSURE: 2041000 24.3806 -5.10056 34.8251 -73.256 4.77197 -143.887 94.0779 -77.8037 259.331 PRESSAVG: 2041000 -11.8674 27.3169 37.4665 27.3168 12.6773 16.0378 37.4665 16.0378 30.5456 GPRESSAVG: 2041000 -11.7636 25.591 35.1748 27.3548 11.0807 14.3605 37.913 16.2568 32.2115 TIMING: 2041000 CPU: 6153.71, 0.00302357/step Wall: 6153.71, 0.00302357/step, 2.48521 hours remaining, 206.734375 MB of memory in use. ENERGY: 2041000 759.0096 2140.5710 1911.0345 114.2542 -206516.3873 17999.4545 0.0000 0.0000 33949.3398 -149642.7238 296.4880 -183592.0635 -149551.7027 297.4606 61.4550 96.1611 558105.8800 10.4518 10.5095 PRESSURE: 2041200 8.91031 -260.055 103.276 -260.054 -171.74 16.7765 103.276 16.7764 96.2001 GPRESSURE: 2041200 25.9965 -237.385 -122.119 -244.763 -113.871 27.2096 215.139 36.1597 137.328 PRESSAVG: 2041200 18.0216 3.54636 19.5091 3.5463 -2.99966 -28.4312 19.5092 -28.4312 -13.1283 GPRESSAVG: 2041200 19.3886 5.44976 21.0028 2.44223 -3.28301 -28.1415 18.2834 -28.9817 -13.6816 TIMING: 2041200 CPU: 6154.31, 0.00299994/step Wall: 6154.31, 0.00299994/step, 2.46562 hours remaining, 206.734375 MB of memory in use. ENERGY: 2041200 736.7918 2087.9799 1919.8183 96.3260 -206602.3425 17929.7459 0.0000 0.0000 34163.5285 -149668.1520 298.3586 -183831.6805 -149559.1673 297.6297 -22.2100 16.4846 557774.9890 0.6312 0.8080 PRESSURE: 2041400 -66.4869 -4.55504 169.284 -4.55555 -245.682 -85.3266 169.284 -85.3276 -202.661 GPRESSURE: 2041400 -18.6409 -49.8145 159.349 47.3071 -207.223 -107.217 215.27 -165.568 -185.38 PRESSAVG: 2041400 29.5832 -75.6722 -6.94805 -75.6722 0.547283 -11.2895 -6.94803 -11.2892 -68.6159 GPRESSAVG: 2041400 28.6305 -74.5412 -7.88936 -75.7133 1.724 -10.4311 -5.88827 -12.2629 -68.5844 TIMING: 2041400 CPU: 6154.91, 0.00300126/step Wall: 6154.91, 0.00300126/step, 2.46654 hours remaining, 206.734375 MB of memory in use. ENERGY: 2041400 733.3576 2095.4454 1924.5085 116.3881 -206016.1897 17582.5047 0.0000 0.0000 33992.8030 -149571.1823 296.8676 -183563.9853 -149484.2162 297.9734 -171.6097 -137.0813 558118.8604 -12.8285 -12.7433 PRESSURE: 2041600 -148.751 -241.533 33.0831 -241.531 147.733 2.04745 33.0826 2.0476 99.1012 GPRESSURE: 2041600 -99.2844 -200.762 -50.552 -162.145 138.554 148.751 -8.61597 -59.2014 161.381 PRESSAVG: 2041600 -9.00774 -9.38778 53.7334 -9.38785 11.7295 16.0409 53.7334 16.0409 29.4878 GPRESSAVG: 2041600 -7.39156 -11.1459 52.1984 -9.57206 11.2575 16.4783 54.2662 18.1573 29.2197 TIMING: 2041600 CPU: 6155.51, 0.00300133/step Wall: 6155.51, 0.00300133/step, 2.46643 hours remaining, 206.734375 MB of memory in use. ENERGY: 2041600 785.9165 2047.7487 1971.0007 111.6296 -206502.7038 17815.0072 0.0000 0.0000 34085.0431 -149686.3580 297.6732 -183771.4011 -149591.9565 298.5508 32.6941 66.8833 555257.4038 10.7365 11.0286 PRESSURE: 2041800 100.833 55.5955 37.6696 55.5933 163.816 84.5101 37.6696 84.5085 175.098 GPRESSURE: 2041800 42.2768 37.172 68.6436 30.3395 208.359 79.4071 59.9026 -16.6614 277.908 PRESSAVG: 2041800 -7.7136 -56.3509 57.5188 -56.351 3.87447 29.5695 57.5189 29.5694 13.6016 GPRESSAVG: 2041800 -8.50633 -54.8244 61.188 -56.0477 3.20606 31.941 55.9274 27.2781 15.1014 TIMING: 2041800 CPU: 6156.11, 0.00300912/step Wall: 6156.11, 0.00300912/step, 2.47266 hours remaining, 206.734375 MB of memory in use. ENERGY: 2041800 742.0243 2027.0421 1958.0154 101.1355 -206767.1671 18166.9783 0.0000 0.0000 34120.0894 -149651.8821 297.9792 -183771.9715 -149555.2932 297.4538 146.5822 176.1812 555087.9326 3.2541 3.2670 PRESSURE: 2042000 -260.568 -139.845 -94.6653 -139.844 -280.934 -58.6278 -94.6652 -58.6248 -32.5703 GPRESSURE: 2042000 -219.584 -113.122 -150.75 -106.645 -222.562 -13.2612 -33.2671 -109.849 -45.268 PRESSAVG: 2042000 46.3509 27.1586 -3.02578 27.1586 -41.5772 23.2277 -3.0259 23.2277 18.6257 GPRESSAVG: 2042000 45.9976 25.7605 -2.11609 29.5939 -40.7287 20.0321 -3.96991 24.3001 17.9301 TIMING: 2042000 CPU: 6156.71, 0.00301672/step Wall: 6156.71, 0.00301672/step, 2.47874 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: 2042000 795.7692 2095.9699 1948.6222 117.1508 -206578.3102 17731.8463 0.0000 0.0000 34264.9361 -149624.0158 299.2442 -183888.9519 -149533.6362 298.2992 -191.3576 -162.4712 557627.1273 7.7998 7.7330 PRESSURE: 2042200 115.352 15.9607 24.8136 15.9623 -155.723 88.7796 24.8126 88.7809 -25.2669 GPRESSURE: 2042200 149.931 -9.61287 36.9104 46.6364 -146.128 109.3 -5.90697 19.5494 21.2809 PRESSAVG: 2042200 27.8391 32.238 -23.2112 32.238 -67.3885 -3.78438 -23.2112 -3.78442 55.2553 GPRESSAVG: 2042200 28.8882 31.8305 -24.2568 29.8691 -67.7795 -2.69185 -24.48 -4.33614 53.9476 TIMING: 2042200 CPU: 6157.32, 0.00301797/step Wall: 6157.32, 0.00301797/step, 2.4796 hours remaining, 206.734375 MB of memory in use. ENERGY: 2042200 737.4437 2072.7693 1922.0730 113.2599 -206828.4958 17909.1864 0.0000 0.0000 34221.8851 -149851.8784 298.8682 -184073.7635 -149753.6277 298.3530 -21.8794 8.3611 557491.4874 5.2353 5.0188 PRESSURE: 2042400 57.7336 1.87327 -39.9105 1.87299 -366.621 88.1333 -39.911 88.1331 -204.553 GPRESSURE: 2042400 99.959 -37.8607 -88.939 -56.0725 -337.267 49.304 -2.45955 55.5911 -166.47 PRESSAVG: 2042400 19.1322 -31.6285 -19.6929 -31.6286 -26.7931 -9.52125 -19.693 -9.52136 0.737023 GPRESSAVG: 2042400 18.3463 -31.6136 -19.0378 -31.0755 -27.5332 -11.6893 -17.7823 -6.91442 2.54452 TIMING: 2042400 CPU: 6157.92, 0.00300301/step Wall: 6157.92, 0.00300301/step, 2.46714 hours remaining, 206.734375 MB of memory in use. ENERGY: 2042400 725.9351 2077.3809 1905.9636 108.6251 -206628.7394 17719.2093 0.0000 0.0000 34272.8391 -149818.7862 299.3132 -184091.6253 -149712.1931 297.7445 -171.1469 -134.5925 556404.3523 -2.3079 -2.2141 PRESSURE: 2042600 50.7692 43.98 132.181 43.9787 -110.342 -122.506 132.181 -122.507 -101.27 GPRESSURE: 2042600 40.7697 83.6111 163.041 68.2718 5.43892 -236.606 116.382 -70.5084 -104.084 PRESSAVG: 2042600 5.83724 33.4646 -27.5877 33.4644 -33.9968 53.2897 -27.5878 53.2899 30.9022 GPRESSAVG: 2042600 4.26678 33.3711 -28.9889 34.2565 -32.0977 53.3329 -25.3424 52.1153 30.9338 TIMING: 2042600 CPU: 6158.52, 0.00298407/step Wall: 6158.52, 0.00298407/step, 2.45142 hours remaining, 206.734375 MB of memory in use. ENERGY: 2042600 721.4947 2026.5822 1902.5036 108.1778 -206604.0534 17826.9832 0.0000 0.0000 34281.6358 -149736.6762 299.3901 -184018.3120 -149632.6667 298.3368 -53.6145 -19.2919 556414.2213 0.9142 1.0343 PRESSURE: 2042800 50.6752 -7.37259 136.021 -7.37385 -301.268 -13.6664 136.021 -13.6665 -71.0886 GPRESSURE: 2042800 1.56448 -5.6433 133.634 -24.2138 -203.363 0.879103 137.927 -30.1145 -1.3258 PRESSAVG: 2042800 20.6294 19.681 8.951 19.681 -18.2388 -17.5437 8.95098 -17.5436 25.7626 GPRESSAVG: 2042800 22.3288 21.8436 7.95199 17.6166 -18.1323 -13.3976 7.58324 -20.1483 24.6347 TIMING: 2042800 CPU: 6159.12, 0.00299517/step Wall: 6159.12, 0.00299516/step, 2.46036 hours remaining, 206.734375 MB of memory in use. ENERGY: 2042800 761.3552 2145.8557 1907.1475 104.9766 -206353.2932 17697.3538 0.0000 0.0000 33955.3648 -149781.2397 296.5406 -183736.6046 -149688.9833 298.3360 -107.2271 -67.7081 556082.6928 9.3844 9.6104 PRESSURE: 2043000 124.544 -174.389 30.3072 -174.388 -204.26 15.4649 30.3071 15.4651 115.004 GPRESSURE: 2043000 136.243 -202.453 4.23353 -103.748 -188.882 -47.0604 23.0916 -26.443 179.462 PRESSAVG: 2043000 -43.9398 -0.163192 -27.835 -0.163133 35.3547 -32.2054 -27.8349 -32.2053 16.0502 GPRESSAVG: 2043000 -43.905 -0.44617 -25.7969 0.562514 33.552 -32.9583 -31.0392 -30.7416 17.6295 TIMING: 2043000 CPU: 6159.72, 0.0030316/step Wall: 6159.72, 0.00303161/step, 2.49013 hours remaining, 206.734375 MB of memory in use. ENERGY: 2043000 735.9313 2119.8469 1911.0873 108.7651 -206459.8790 17870.4875 0.0000 0.0000 33911.6131 -149802.1479 296.1586 -183713.7610 -149712.5257 297.5034 11.7628 42.2745 557384.5501 2.4884 2.4255 PRESSURE: 2043200 -68.2688 51.8671 64.5877 51.867 -171.9 41.9983 64.5866 41.9979 -31.0601 GPRESSURE: 2043200 -35.1602 19.9214 35.0353 92.3963 -141.371 8.6935 3.49127 84.1742 8.1406 PRESSAVG: 2043200 -65.556 -8.33856 59.5689 -8.33854 39.6468 -2.83532 59.5689 -2.83543 57.2166 GPRESSAVG: 2043200 -66.4375 -7.96929 57.6512 -8.04423 41.7951 -2.9141 62.6503 -5.00889 56.383 TIMING: 2043200 CPU: 6160.33, 0.0030408/step Wall: 6160.33, 0.0030408/step, 2.49751 hours remaining, 206.734375 MB of memory in use. ENERGY: 2043200 746.4727 2113.7362 1924.0703 99.5149 -206362.2031 17726.3796 0.0000 0.0000 34066.0656 -149685.9638 297.5074 -183752.0294 -149577.8769 297.6813 -90.4098 -56.1303 556433.2714 10.4358 10.5802 PRESSURE: 2043400 -253.049 -63.57 -69.7762 -63.57 -106.316 -61.4499 -69.7762 -61.4497 -405.038 GPRESSURE: 2043400 -236.327 -55.1235 -112.764 -6.17627 -71.0685 -105.99 -79.322 87.3205 -363.099 PRESSAVG: 2043400 -2.57392 -8.3357 54.0844 -8.33576 86.1282 -3.17778 54.0844 -3.17783 -65.4025 GPRESSAVG: 2043400 -2.1456 -9.95004 54.2285 -10.5589 85.1938 -6.77264 54.043 2.29427 -65.2605 TIMING: 2043400 CPU: 6160.93, 0.00301887/step Wall: 6160.93, 0.00301887/step, 2.47933 hours remaining, 206.734375 MB of memory in use. ENERGY: 2043400 734.4225 2136.9360 1913.8688 124.3810 -205919.3605 17377.8451 0.0000 0.0000 34259.0030 -149372.9040 299.1924 -183631.9071 -149281.0651 298.0183 -254.8010 -223.4981 556859.3630 6.0506 5.9292 PRESSURE: 2043600 -77.6685 19.6402 -26.9965 19.6393 -281.61 1.09467 -26.9967 1.09449 120.628 GPRESSURE: 2043600 -1.02063 8.64111 -22.6185 -10.8261 -279.037 101.576 9.42406 -40.6759 149.773 PRESSAVG: 2043600 18.2186 -110.916 7.90811 -110.916 23.8924 52.4251 7.90822 52.425 -17.631 GPRESSAVG: 2043600 19.0784 -109.842 7.17402 -108.282 23.6623 56.9899 5.45428 50.0414 -18.2787 TIMING: 2043600 CPU: 6161.53, 0.00299845/step Wall: 6161.53, 0.00299845/step, 2.46239 hours remaining, 206.734375 MB of memory in use. ENERGY: 2043600 726.0459 2160.1977 1917.0846 113.7753 -206241.9367 17636.8255 0.0000 0.0000 34312.8674 -149375.1404 299.6628 -183688.0077 -149279.9632 298.9582 -79.5502 -43.4280 556185.7214 8.1600 8.1540 PRESSURE: 2043800 158.933 25.6134 -45.163 25.6145 27.1979 20.9673 -45.1637 20.9685 -175.547 GPRESSURE: 2043800 154.774 -3.9527 -74.8419 -18.957 60.1292 52.6716 -143.673 -39.956 -103.917 PRESSAVG: 2043800 12.6859 -33.415 45.1374 -33.4148 -31.6373 9.80075 45.1374 9.80072 -15.6803 GPRESSAVG: 2043800 11.2693 -34.5112 44.6116 -32.329 -31.2888 7.76454 45.5494 9.28852 -15.0848 TIMING: 2043800 CPU: 6162.13, 0.00297741/step Wall: 6162.13, 0.00297741/step, 2.44495 hours remaining, 206.734375 MB of memory in use. ENERGY: 2043800 736.2389 2117.7326 1931.3830 117.4556 -206547.8171 18081.7285 0.0000 0.0000 34187.5100 -149375.7685 298.5680 -183563.2785 -149280.8881 299.2704 3.5278 36.9953 558010.5933 -11.5439 -11.7014 PRESSURE: 2044000 -147.215 -37.2962 28.7606 -37.296 -167.168 26.6913 28.7591 26.6919 -415.806 GPRESSURE: 2044000 -132.376 20.5226 9.24464 7.22271 -81.7724 111.85 23.0969 -83.8721 -417.344 PRESSAVG: 2044000 17.3962 35.9935 -11.8105 35.9935 2.26118 -8.40275 -11.8105 -8.40277 -35.6596 GPRESSAVG: 2044000 17.1897 36.5192 -12.0827 34.0503 2.72159 -8.63835 -9.5001 -6.27547 -35.6478 TIMING: 2044000 CPU: 6162.73, 0.00301204/step Wall: 6162.73, 0.00301204/step, 2.47322 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: 2044000 759.1980 2041.0119 1934.4469 107.4780 -205869.6869 17551.1114 0.0000 0.0000 34037.6173 -149438.8235 297.2590 -183476.4407 -149351.1057 298.4082 -243.3964 -210.4975 559441.6240 -5.3341 -5.2455 PRESSURE: 2044200 -49.7328 -145.248 90.1075 -145.249 -55.9526 -44.8163 90.1078 -44.8163 -123.126 GPRESSURE: 2044200 -2.45357 -76.6766 58.0215 -234.883 -90.8378 -62.5509 105.505 -31.5154 -40.3143 PRESSAVG: 2044200 9.36685 -41.6135 -34.8399 -41.6135 -25.3845 22.0725 -34.84 22.0726 29.0362 GPRESSAVG: 2044200 9.66902 -41.8459 -33.1207 -42.4262 -26.8818 21.9064 -36.1927 21.1377 29.9492 TIMING: 2044200 CPU: 6163.33, 0.00299121/step Wall: 6163.33, 0.00299121/step, 2.45595 hours remaining, 206.734375 MB of memory in use. ENERGY: 2044200 762.3124 2124.6167 1945.8068 108.7007 -206446.9405 17898.8967 0.0000 0.0000 34406.0022 -149200.6050 300.4762 -183606.6072 -149104.3845 299.4447 -76.2704 -44.5352 557409.7813 4.3395 4.2455 LDB: ============= START OF LOAD BALANCING ============== 6166.85 LDB: ============== END OF LOAD BALANCING =============== 6166.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6166.85 LDB: ============= START OF LOAD BALANCING ============== 6167.15 LDB: Largest compute 4772 load 0.030259 is 25.7% of average load 0.117939 LDB: Average compute 0.001738 is 1.5% of average load 0.117939 LDB: TIME 6167.16 LOAD: AVG 0.117939 MAX 0.209763 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.504 MB LDB: TIME 6167.16 LOAD: AVG 0.117939 MAX 0.209763 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.707 MB LDB: TIME 6167.16 LOAD: AVG 0.117939 MAX 0.209763 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.707 MB LDB: ============== END OF LOAD BALANCING =============== 6167.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6167.16 PRESSURE: 2044400 112.234 -105.489 149.715 -105.49 -15.6054 -138.976 149.715 -138.976 543.027 GPRESSURE: 2044400 208.091 -58.9587 47.6143 -80.3661 17.1284 -112.072 120.661 -105.305 516.244 PRESSAVG: 2044400 8.48916 -12.9935 -62.7183 -12.9934 -34.1488 -10.3907 -62.7183 -10.3906 20.6483 GPRESSAVG: 2044400 9.22563 -12.5659 -65.0632 -11.1957 -33.0811 -9.72517 -62.3475 -12.3242 18.413 TIMING: 2044400 CPU: 6163.95, 0.00309266/step Wall: 6163.95, 0.00309265/step, 2.53907 hours remaining, 208.343750 MB of memory in use. ENERGY: 2044400 742.7122 2099.2857 1904.6557 115.1499 -206488.8024 18113.3829 0.0000 0.0000 34227.6655 -149285.9505 298.9187 -183513.6160 -149192.7257 299.1315 213.2188 247.1544 556684.1355 -1.6704 -1.8142 PRESSURE: 2044600 -1.05859 -45.2108 75.8809 -45.2123 -39.3693 7.49873 75.8801 7.49847 -71.2176 GPRESSURE: 2044600 28.9793 -64.3312 -15.3679 -15.2634 -36.2853 -18.3633 131.795 -25.8231 -18.3935 PRESSAVG: 2044600 3.8045 -31.9936 -11.4565 -31.9936 -48.878 69.8435 -11.4565 69.8434 30.6832 GPRESSAVG: 2044600 2.61056 -33.769 -6.09539 -31.6065 -50.2599 69.2204 -13.8744 71.8006 32.5717 TIMING: 2044600 CPU: 6164.55, 0.00300876/step Wall: 6164.55, 0.00300876/step, 2.47003 hours remaining, 208.343750 MB of memory in use. ENERGY: 2044600 775.0953 2121.0604 1902.8599 114.4704 -206320.3713 17855.5891 0.0000 0.0000 34223.9083 -149327.3876 298.8859 -183551.2960 -149237.6324 298.7498 -37.2152 -8.5665 558678.3538 -4.7968 -5.0259 PRESSURE: 2044800 -235.079 83.2678 14.4024 83.2682 -21.8106 -67.1492 14.4013 -67.1489 -93.1098 GPRESSURE: 2044800 -183.833 29.2262 -95.3664 67.3763 -44.708 -26.0135 62.7279 -93.2748 -31.8424 PRESSAVG: 2044800 -33.0237 -2.90696 36.1745 -2.90705 58.6561 20.2649 36.1746 20.2648 -10.8114 GPRESSAVG: 2044800 -31.7971 -1.44694 32.1446 -4.26029 59.2562 20.2929 38.7061 18.9217 -12.1812 TIMING: 2044800 CPU: 6165.16, 0.00302848/step Wall: 6165.16, 0.00302848/step, 2.48604 hours remaining, 208.343750 MB of memory in use. ENERGY: 2044800 733.3064 2112.4566 1931.3723 116.2178 -205962.3730 17688.6521 0.0000 0.0000 34092.8178 -149287.5500 297.7411 -183380.3678 -149186.9934 299.6841 -116.6666 -86.7945 559532.4871 4.9404 5.0926 PRESSURE: 2045000 -28.1082 80.3948 85.2235 80.3945 -200.843 -227.013 85.2235 -227.014 51.3848 GPRESSURE: 2045000 62.0629 -1.16337 107.919 219.979 -145.949 -278.221 84.4578 -194.007 17.9285 PRESSAVG: 2045000 -15.9318 -18.4061 -2.12252 -18.4061 -2.88781 17.0541 -2.12253 17.0541 36.1091 GPRESSAVG: 2045000 -16.8391 -18.7694 -1.63584 -17.2806 -2.59058 16.4311 -2.58003 19.1356 36.7793 TIMING: 2045000 CPU: 6165.76, 0.00301072/step Wall: 6165.76, 0.00301072/step, 2.4713 hours remaining, 208.343750 MB of memory in use. ENERGY: 2045000 770.0809 2074.9538 1933.9923 113.6164 -206677.2539 17960.2120 0.0000 0.0000 34368.6784 -149455.7201 300.1502 -183824.3985 -149356.4655 298.4768 -59.1889 -21.9859 559375.1520 5.7632 5.7832 PRESSURE: 2045200 -30.4523 -27.6579 14.3172 -27.6591 -69.7683 -52.4481 14.3174 -52.4473 9.70465 GPRESSURE: 2045200 -63.4202 -57.0128 -43.6192 -8.10249 44.8029 81.4005 38.7802 -177.106 15.8552 PRESSAVG: 2045200 -18.097 25.9357 22.9029 25.9357 16.6216 1.18956 22.9028 1.1895 19.9539 GPRESSAVG: 2045200 -16.7987 27.2348 24.0929 24.3208 15.1681 2.0083 23.1618 -1.13733 20.1885 TIMING: 2045200 CPU: 6166.35, 0.00297486/step Wall: 6166.35, 0.00297486/step, 2.4417 hours remaining, 208.343750 MB of memory in use. ENERGY: 2045200 716.9664 2130.1109 1894.5964 104.0160 -206214.3338 17761.5982 0.0000 0.0000 34191.1727 -149415.8732 298.6000 -183607.0459 -149328.2343 298.7310 -30.1720 -0.9207 558153.0999 6.1595 6.1860 PRESSURE: 2045400 207.625 -111.363 -152.59 -111.362 -165.038 45.8111 -152.59 45.8092 291.984 GPRESSURE: 2045400 227.564 -150.334 -293.246 -76.254 -159.261 80.7319 -69.8449 50.6373 364.741 PRESSAVG: 2045400 -21.1071 -39.4174 -45.8832 -39.4173 -39.8966 43.9408 -45.8833 43.9407 37.6861 GPRESSAVG: 2045400 -21.0017 -40.2823 -45.2438 -38.1319 -38.4679 42.5742 -47.3082 45.7029 36.6988 TIMING: 2045400 CPU: 6166.94, 0.00295965/step Wall: 6166.94, 0.00295965/step, 2.42905 hours remaining, 208.343750 MB of memory in use. ENERGY: 2045400 732.1106 2084.4189 1910.1063 127.6484 -206707.6637 18083.2208 0.0000 0.0000 34334.1869 -149435.9718 299.8490 -183770.1587 -149336.3229 298.9761 111.5234 144.3481 557034.4866 -7.7725 -7.5903 PRESSURE: 2045600 -228.943 -74.867 -240.061 -74.8666 -347.971 -22.637 -240.061 -22.6381 -178.139 GPRESSURE: 2045600 -225.303 -30.008 -311.061 -39.5931 -316.797 42.9459 -228.23 -88.1871 -124.429 PRESSAVG: 2045600 -9.75205 -71.582 -28.6223 -71.582 -53.5606 -2.59822 -28.6223 -2.59831 17.9976 GPRESSAVG: 2045600 -10.4519 -69.0664 -31.1734 -72.0254 -53.8948 -3.4311 -26.625 -2.09928 19.2595 TIMING: 2045600 CPU: 6167.54, 0.00296815/step Wall: 6167.54, 0.00296815/step, 2.43586 hours remaining, 208.343750 MB of memory in use. ENERGY: 2045600 760.4779 2035.4318 1951.4988 111.5086 -205757.9163 17465.0230 0.0000 0.0000 34279.5971 -149154.3791 299.3722 -183433.9762 -149056.1808 298.9514 -251.6843 -222.1766 558738.8061 -15.1050 -15.0291 PRESSURE: 2045800 142.277 -89.1695 -29.2736 -89.1713 -251.363 -32.6807 -29.2733 -32.6807 -0.216642 GPRESSURE: 2045800 120.531 -101.512 -19.8418 -74.5323 -175.542 -78.1413 -12.0185 20.7591 46.8806 PRESSAVG: 2045800 61.107 -71.9912 -11.4819 -71.9912 -2.42658 15.3941 -11.4819 15.3941 -30.5566 GPRESSAVG: 2045800 61.855 -73.4082 -10.6051 -73.5519 -2.96304 14.3287 -11.1697 16.9338 -30.2069 TIMING: 2045800 CPU: 6168.13, 0.00296719/step Wall: 6168.13, 0.00296719/step, 2.43491 hours remaining, 208.343750 MB of memory in use. ENERGY: 2045800 767.1613 2056.6882 1937.6987 115.6287 -206223.4900 17911.5310 0.0000 0.0000 34389.8848 -149044.8973 300.3354 -183434.7821 -148951.9002 299.3108 -36.4344 -2.7100 557348.2214 9.3746 9.5617 PRESSURE: 2046000 -77.1543 -11.7371 63.6902 -11.737 -36.5932 68.7433 63.6902 68.7426 34.3496 GPRESSURE: 2046000 -47.3367 -46.5887 -4.57627 -35.8737 15.1107 61.8114 61.7752 64.0125 49.4434 PRESSAVG: 2046000 38.231 -7.58824 71.3371 -7.58819 -39.3701 -1.39926 71.337 -1.39921 -11.127 GPRESSAVG: 2046000 37.9356 -7.45814 72.1396 -8.56183 -39.1531 1.7383 72.604 -4.00753 -11.0827 TIMING: 2046000 CPU: 6168.73, 0.00298039/step Wall: 6168.73, 0.00298039/step, 2.44558 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: 2046000 708.9968 2049.9387 1933.0468 101.8321 -206010.4654 17793.0427 0.0000 0.0000 34279.6921 -149143.9163 299.3731 -183423.6084 -149038.0119 299.6533 -26.4660 5.7391 557231.4234 -4.0887 -4.1001 PRESSURE: 2046200 -69.7322 62.5444 23.6716 62.5454 -396.965 -148.272 23.6699 -148.272 47.1428 GPRESSURE: 2046200 -58.0095 -44.1699 8.46645 147.208 -273.1 -85.0276 77.2275 -76.4557 7.76288 PRESSAVG: 2046200 33.7947 0.055172 43.8457 0.0551853 -7.76975 -66.2373 43.8456 -66.2375 -38.9159 GPRESSAVG: 2046200 33.2961 -1.10145 43.1333 1.02304 -7.57151 -67.0703 41.175 -65.8113 -38.8099 TIMING: 2046200 CPU: 6169.33, 0.00300166/step Wall: 6169.33, 0.00300166/step, 2.46287 hours remaining, 208.546875 MB of memory in use. ENERGY: 2046200 702.6243 2044.8491 1903.1598 108.4548 -205655.0627 17372.5663 0.0000 0.0000 34415.4178 -149107.9906 300.5584 -183523.4084 -149004.5988 298.2301 -139.8516 -107.7821 556834.9463 -4.2970 -4.3618 PRESSURE: 2046400 -196.817 -298.551 59.9878 -298.55 -247.174 102.523 59.9874 102.522 78.0223 GPRESSURE: 2046400 -169.954 -293.839 23.9354 -338.775 -132.798 53.7418 50.2722 100.498 35.7912 PRESSAVG: 2046400 -21.0977 -9.64035 32.5344 -9.64027 -33.3204 -34.6719 32.5344 -34.6719 38.6803 GPRESSAVG: 2046400 -20.4307 -8.83162 30.9169 -9.11519 -33.3571 -33.3697 34.5469 -36.9251 37.8426 TIMING: 2046400 CPU: 6169.92, 0.00298627/step Wall: 6169.92, 0.00298627/step, 2.45007 hours remaining, 208.546875 MB of memory in use. ENERGY: 2046400 736.2660 2028.3158 1910.7468 121.6441 -205826.9984 17623.7752 0.0000 0.0000 34295.1745 -149111.0759 299.5083 -183406.2504 -149022.6928 299.5822 -121.9892 -88.9870 556219.0180 -5.2459 -5.3151 PRESSURE: 2046600 184.836 -181.129 32.4298 -181.128 -204.675 -128.921 32.4299 -128.922 -218.366 GPRESSURE: 2046600 192.436 -192.124 0.383848 -108.688 -169.679 -143.882 18.9755 -103.261 -170.481 PRESSAVG: 2046600 3.56594 -47.445 -34.917 -47.4451 81.4857 -1.03568 -34.917 -1.03564 -61.0341 GPRESSAVG: 2046600 3.90414 -47.9353 -33.5325 -46.9859 81.3089 -2.48924 -35.2937 0.705527 -60.6501 TIMING: 2046600 CPU: 6170.52, 0.00299124/step Wall: 6170.52, 0.00299124/step, 2.45398 hours remaining, 208.546875 MB of memory in use. ENERGY: 2046600 798.6945 2073.4367 1925.4308 115.8267 -205896.4365 17749.2717 0.0000 0.0000 34348.4071 -148885.3689 299.9732 -183233.7760 -148792.5504 300.5446 -79.4017 -49.2416 558199.3135 8.0058 8.1876 PRESSURE: 2046800 276.781 44.3644 -225.518 44.3653 7.66082 238.612 -225.518 238.611 19.9243 GPRESSURE: 2046800 273.224 18.2893 -151.905 -8.33749 87.9724 208.076 -241.368 273.405 45.1631 PRESSAVG: 2046800 40.6602 39.5171 -0.811447 39.5172 47.8717 30.8126 -0.811387 30.8124 -69.9574 GPRESSAVG: 2046800 40.7472 40.0322 0.120969 39.3607 48.7879 31.2565 -1.96255 29.8008 -70.7359 TIMING: 2046800 CPU: 6171.12, 0.0029984/step Wall: 6171.12, 0.0029984/step, 2.45969 hours remaining, 208.546875 MB of memory in use. ENERGY: 2046800 703.5957 2095.4333 1881.5629 109.0824 -206134.5376 17957.7439 0.0000 0.0000 34482.9283 -148904.1911 301.1480 -183387.1194 -148804.3633 300.7160 101.4555 135.4532 556591.5271 6.1915 6.2664 PRESSURE: 2047000 -276.121 16.99 -131.421 16.9882 79.3351 177.283 -131.421 177.282 -413.208 GPRESSURE: 2047000 -205.865 -2.17655 -153.827 65.147 58.7549 68.9781 -43.9868 225.618 -368.192 PRESSAVG: 2047000 34.5633 8.46154 -39.706 8.46155 44.6563 31.3064 -39.7061 31.3063 -41.5116 GPRESSAVG: 2047000 34.532 9.64954 -38.9828 8.46836 43.922 29.8122 -38.9827 32.3409 -40.7508 TIMING: 2047000 CPU: 6171.73, 0.00302246/step Wall: 6171.73, 0.00302246/step, 2.47925 hours remaining, 208.546875 MB of memory in use. ENERGY: 2047000 788.0214 2061.2628 1932.0190 102.2187 -205576.0683 17429.9052 0.0000 0.0000 34305.2785 -148957.3626 299.5965 -183262.6411 -148862.2758 300.2886 -203.3311 -171.7674 558730.1585 12.5693 12.5677 PRESSURE: 2047200 107.043 -48.6874 110.572 -48.6879 49.15 -59.9657 110.571 -59.9665 -66.6889 GPRESSURE: 2047200 155.06 -6.78258 182.811 -73.6344 70.5565 -62.4746 68.2432 -108.32 -35.1039 PRESSAVG: 2047200 -44.2266 19.1717 27.7235 19.1717 43.1677 -5.7998 27.7234 -5.79986 -39.4545 GPRESSAVG: 2047200 -44.3931 19.3332 26.2391 16.9446 43.3075 -4.8049 26.8357 -6.44229 -39.7507 TIMING: 2047200 CPU: 6172.33, 0.00303386/step Wall: 6172.33, 0.00303386/step, 2.48844 hours remaining, 208.648438 MB of memory in use. ENERGY: 2047200 731.6409 2093.4256 1938.7480 108.6903 -206119.8157 17930.0169 0.0000 0.0000 34251.0026 -149066.2913 299.1225 -183317.2939 -148967.2158 299.8890 29.8348 63.5041 559295.8678 -13.5045 -13.6121 PRESSURE: 2047400 14.0833 224.104 -54.5876 224.104 187.779 -26.2264 -54.5883 -26.2261 -135.703 GPRESSURE: 2047400 37.1067 257.46 -8.48287 133.293 177.384 12.0742 -110.661 -68.5018 -56.7617 PRESSAVG: 2047400 0.257583 47.8533 1.63592 47.8533 67.3517 -48.176 1.63588 -48.1758 -46.1595 GPRESSAVG: 2047400 0.169091 46.9995 3.04372 47.3582 66.5993 -50.7683 -0.120312 -47.0619 -45.6617 TIMING: 2047400 CPU: 6172.94, 0.00303135/step Wall: 6172.94, 0.00303135/step, 2.48621 hours remaining, 208.648438 MB of memory in use. ENERGY: 2047400 754.1995 2128.4275 1925.8915 107.4696 -206212.9556 18061.9380 0.0000 0.0000 34223.1620 -149011.8675 298.8794 -183235.0295 -148910.7825 299.4795 22.0530 52.5762 558546.2274 7.1499 7.0355 PRESSURE: 2047600 -121.159 -52.4979 -97.0315 -52.4977 -108.143 31.6181 -97.0311 31.6188 -136.271 GPRESSURE: 2047600 -100.97 13.5558 -188.255 -19.8887 -58.7553 7.49166 -67.2303 65.6498 -108.31 PRESSAVG: 2047600 -56.0479 68.0664 -50.4259 68.0664 18.7638 -37.3205 -50.4259 -37.3205 58.4019 GPRESSAVG: 2047600 -55.6712 66.1296 -50.6611 68.8362 20.071 -35.0727 -50.0416 -37.1818 57.4675 TIMING: 2047600 CPU: 6173.54, 0.00301479/step Wall: 6173.54, 0.00301479/step, 2.47246 hours remaining, 208.761719 MB of memory in use. ENERGY: 2047600 764.5314 2101.7108 1918.7819 113.2421 -206076.5928 17753.7033 0.0000 0.0000 34301.4495 -149123.1738 299.5631 -183424.6233 -149025.6574 299.2629 -121.8579 -89.3449 557900.9761 7.0393 7.2891 PRESSURE: 2047800 76.9007 34.2649 -66.6852 34.2645 84.3089 -35.4967 -66.6846 -35.4941 219.734 GPRESSURE: 2047800 112.146 37.5305 31.6599 -16.3454 141.873 13.0458 -128.908 -33.2616 227.466 PRESSAVG: 2047800 -35.5622 10.8465 -81.2091 10.8465 -18.6349 -1.41595 -81.2091 -1.41586 27.0737 GPRESSAVG: 2047800 -36.4067 11.246 -81.6328 11.6578 -18.6729 -2.06915 -78.2952 -1.27607 28.6067 TIMING: 2047800 CPU: 6174.15, 0.00302036/step Wall: 6174.15, 0.00302036/step, 2.47686 hours remaining, 208.761719 MB of memory in use. ENERGY: 2047800 755.2279 2062.2376 1931.9522 116.2449 -206350.4459 18164.4589 0.0000 0.0000 34325.8792 -148994.4453 299.7764 -183320.3245 -148896.5810 299.6750 126.9811 160.4952 556985.9177 -9.0411 -8.8243 PRESSURE: 2048000 -393.869 -98.028 -25.224 -98.0285 -97.6119 -104.309 -25.2252 -104.309 -184.428 GPRESSURE: 2048000 -339.988 -66.9757 -106.842 -40.709 -86.6185 -73.9924 -5.03002 -132.465 -145.374 PRESSAVG: 2048000 -75.0234 -47.229 -47.1301 -47.229 41.0329 -17.5257 -47.13 -17.5256 37.4335 GPRESSAVG: 2048000 -74.8438 -46.3871 -47.7307 -47.1182 41.0998 -15.5973 -47.721 -18.9006 36.6112 TIMING: 2048000 CPU: 6174.75, 0.00300295/step Wall: 6174.75, 0.00300295/step, 2.46242 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: 2048000 777.2118 2065.3486 1897.3645 104.7472 -205702.1193 17603.9073 0.0000 0.0000 34263.2950 -148990.2449 299.2299 -183253.5400 -148897.5506 299.9259 -225.3031 -190.6599 558725.1237 1.1477 0.9557 PRESSURE: 2048200 -77.9934 65.9024 -124.059 65.9022 -32.2565 106.953 -124.059 106.953 -280.663 GPRESSURE: 2048200 -31.4109 44.7731 -43.8798 55.8177 -48.926 144.459 -132.469 44.0017 -205.024 PRESSAVG: 2048200 -69.8655 -9.63919 20.3564 -9.63913 -27.1694 19.8204 20.3564 19.8205 27.6192 GPRESSAVG: 2048200 -70.924 -10.4159 20.336 -7.91378 -26.9509 17.5138 20.3852 21.3642 27.7719 TIMING: 2048200 CPU: 6175.35, 0.00299413/step Wall: 6175.35, 0.00299413/step, 2.45502 hours remaining, 208.761719 MB of memory in use. ENERGY: 2048200 784.3498 2097.0355 1926.4190 114.9577 -206289.3146 17808.7029 0.0000 0.0000 34544.1359 -149013.7137 301.6825 -183557.8497 -148910.4091 299.3764 -130.3043 -95.1203 558141.6914 -23.1386 -23.3677 LDB: ============= START OF LOAD BALANCING ============== 6178.87 LDB: ============== END OF LOAD BALANCING =============== 6178.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6178.87 LDB: ============= START OF LOAD BALANCING ============== 6179.17 LDB: Largest compute 4772 load 0.028580 is 24.2% of average load 0.118009 LDB: Average compute 0.001726 is 1.5% of average load 0.118009 LDB: TIME 6179.17 LOAD: AVG 0.118009 MAX 0.210085 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.461 MB LDB: TIME 6179.17 LOAD: AVG 0.118009 MAX 0.210085 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.461 MB LDB: TIME 6179.17 LOAD: AVG 0.118009 MAX 0.210085 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.461 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6179.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6179.18 PRESSURE: 2048400 -316.772 35.5888 129.633 35.5903 28.7278 117.64 129.633 117.64 -1.00668 GPRESSURE: 2048400 -253.744 -11.8634 109.551 122.049 -38.2204 156.021 103.594 120.492 89.3435 PRESSAVG: 2048400 -19.9356 -47.4623 -14.5452 -47.4622 73.7074 73.3297 -14.5452 73.3296 -49.3207 GPRESSAVG: 2048400 -18.4806 -47.1895 -15.0441 -48.435 72.6798 75.2649 -14.3672 71.0004 -49.3596 TIMING: 2048400 CPU: 6175.96, 0.00308585/step Wall: 6175.96, 0.00308585/step, 2.53005 hours remaining, 208.269531 MB of memory in use. ENERGY: 2048400 774.3835 2071.9313 1923.2445 112.7991 -206047.4473 17734.1622 0.0000 0.0000 34308.5738 -149122.3529 299.6253 -183430.9267 -149025.2105 298.9256 -96.3501 -67.5403 558368.0996 1.4837 1.6132 PRESSURE: 2048600 -42.2016 -81.489 -16.1474 -81.4895 -174.234 -11.6094 -16.1491 -11.6096 200.041 GPRESSURE: 2048600 26.925 -92.4614 -27.3327 -51.1382 -158.293 7.34639 -16.3686 -6.75907 213.404 PRESSAVG: 2048600 -3.03159 45.8827 -1.0548 45.8826 30.5877 -3.47941 -1.05478 -3.47952 3.87365 GPRESSAVG: 2048600 -3.79676 47.1162 -1.52358 44.8855 31.0089 -4.05798 -0.952362 -2.58214 4.36386 TIMING: 2048600 CPU: 6176.57, 0.00302074/step Wall: 6176.57, 0.00302074/step, 2.4765 hours remaining, 208.472656 MB of memory in use. ENERGY: 2048600 757.7541 2105.8972 1920.5872 119.4089 -206067.1232 17756.8859 0.0000 0.0000 34360.3621 -149046.2277 300.0776 -183406.5899 -148958.1351 299.9724 -5.4648 27.3453 557786.3842 10.4766 10.5253 PRESSURE: 2048800 -25.0061 -39.2657 129.12 -39.2653 194.786 119.084 129.119 119.084 67.0311 GPRESSURE: 2048800 20.0103 -52.0524 194.463 -43.4842 221.692 192.358 59.155 84.7662 86.6509 PRESSAVG: 2048800 -42.5786 55.5796 39.3285 55.5795 -9.55821 -40.3275 39.3285 -40.3277 -3.4459 GPRESSAVG: 2048800 -42.9972 54.5386 42.3031 56.7831 -8.62366 -39.1932 38.3201 -41.7042 -3.69369 TIMING: 2048800 CPU: 6177.17, 0.00302299/step Wall: 6177.17, 0.00302299/step, 2.47818 hours remaining, 208.472656 MB of memory in use. ENERGY: 2048800 728.8901 2102.2338 1934.1974 129.5349 -206368.7783 18021.5191 0.0000 0.0000 34239.8716 -149212.5313 299.0253 -183452.4028 -149114.1310 299.6583 78.9371 109.4511 558355.1388 -18.5276 -18.4382 PRESSURE: 2049000 21.5354 30.3986 113.473 30.4005 -98.8608 32.1115 113.472 32.1122 87.5239 GPRESSURE: 2049000 51.6608 28.5418 48.0132 -44.1263 -49.5324 -9.55374 125.203 72.3435 102.08 PRESSAVG: 2049000 -4.73576 9.83505 44.2694 9.83495 45.9424 44.7611 44.2694 44.7611 33.9457 GPRESSAVG: 2049000 -4.92015 10.6437 44.1722 8.96621 46.6779 43.9434 46.02 46.5151 33.4087 TIMING: 2049000 CPU: 6177.78, 0.00302/step Wall: 6177.78, 0.00302/step, 2.47556 hours remaining, 208.472656 MB of memory in use. ENERGY: 2049000 724.4125 2070.1239 1914.6578 105.9244 -205666.0142 17603.0195 0.0000 0.0000 34063.4588 -149184.4174 297.4847 -183247.8762 -149086.5790 299.7113 3.3995 34.7362 557869.9633 25.0508 25.0555 PRESSURE: 2049200 -90.643 -147.172 -127.558 -147.172 111.207 75.1799 -127.559 75.1823 -113.693 GPRESSURE: 2049200 -78.1769 -66.4439 -117.949 -116.807 155.159 -88.2782 -176.601 83.3526 -80.4838 PRESSAVG: 2049200 -47.8718 -18.2727 -74.8709 -18.2726 64.4128 0.599142 -74.871 0.599174 4.5293 GPRESSAVG: 2049200 -47.2585 -18.588 -75.7408 -18.678 63.9895 -0.164953 -76.3563 0.21258 3.72314 TIMING: 2049200 CPU: 6178.38, 0.00303655/step Wall: 6178.38, 0.00303655/step, 2.48896 hours remaining, 208.472656 MB of memory in use. ENERGY: 2049200 711.8596 2066.7198 1941.9697 116.9303 -206118.3677 17771.7224 0.0000 0.0000 34410.9171 -149098.2488 300.5191 -183509.1659 -149004.7656 299.6687 -31.0430 -1.1673 557583.7683 7.0234 6.8180 PRESSURE: 2049400 -81.1911 -101.982 39.1493 -101.981 365.839 -23.8743 39.149 -23.8754 -339.384 GPRESSURE: 2049400 9.02859 -43.3781 -61.3033 -137.187 341.225 -37.3565 28.7475 -23.2932 -315.259 PRESSAVG: 2049400 -17.0779 18.1903 -46.0809 18.1903 73.9258 -10.2997 -46.0808 -10.2997 -16.3776 GPRESSAVG: 2049400 -17.1006 18.9197 -45.2469 16.9337 73.0076 -8.42223 -46.6058 -12.7283 -15.5684 TIMING: 2049400 CPU: 6178.99, 0.00300518/step Wall: 6178.99, 0.00300518/step, 2.46308 hours remaining, 208.472656 MB of memory in use. ENERGY: 2049400 706.0741 2109.0346 1931.3995 110.8101 -205811.4542 17739.6359 0.0000 0.0000 34164.8126 -149049.6874 298.3698 -183214.5000 -148955.2308 299.9917 -18.2454 11.6649 558761.4666 13.4901 13.4462 PRESSURE: 2049600 -47.3343 118.612 49.4605 118.61 70.9942 -126.565 49.4603 -126.564 -196.99 GPRESSURE: 2049600 41.1709 154.031 6.87581 133.704 26.8419 -135.964 33.9683 -67.1534 -131.498 PRESSAVG: 2049600 43.7768 25.416 5.56471 25.4161 -30.784 2.80952 5.56474 2.80949 3.93499 GPRESSAVG: 2049600 43.2736 26.139 4.34838 27.6207 -30.4986 2.97964 7.54255 5.75795 4.1721 TIMING: 2049600 CPU: 6179.58, 0.00299399/step Wall: 6179.58, 0.00299399/step, 2.45374 hours remaining, 208.472656 MB of memory in use. ENERGY: 2049600 730.9846 2012.5639 1925.2248 118.3908 -205783.7047 17657.3608 0.0000 0.0000 34123.0948 -149216.0850 298.0055 -183339.1798 -149120.5090 299.1612 -57.7768 -21.1616 559222.1275 5.6426 5.6490 PRESSURE: 2049800 -44.277 105.762 153.638 105.762 -77.2036 97.9692 153.64 97.9697 195.052 GPRESSURE: 2049800 8.39411 71.7403 167.889 146.637 -54.2437 124.787 165.473 63.3375 215.601 PRESSAVG: 2049800 -26.9506 56.8948 -30.0745 56.8947 52.7987 -9.46259 -30.0745 -9.46245 -29.6422 GPRESSAVG: 2049800 -27.0844 55.4922 -30.2876 55.8173 53.2729 -12.1506 -30.0015 -10.5157 -29.6418 TIMING: 2049800 CPU: 6180.18, 0.00300373/step Wall: 6180.18, 0.00300373/step, 2.46155 hours remaining, 208.472656 MB of memory in use. ENERGY: 2049800 702.6785 2109.3189 1920.8359 132.1013 -206177.5498 17744.5652 0.0000 0.0000 34417.2031 -149150.8470 300.5740 -183568.0501 -149062.3982 299.8821 24.5240 56.5839 557624.9650 -1.2647 -1.1511 PRESSURE: 2050000 -96.8209 -66.2428 -71.8965 -66.244 70.827 25.7801 -71.8972 25.7798 -208.254 GPRESSURE: 2050000 29.9352 -50.5768 -72.1059 -94.1473 58.6625 46.0522 -99.2532 61.4054 -218.39 PRESSAVG: 2050000 -78.3502 -49.569 -48.6202 -49.569 7.93876 -10.8352 -48.6202 -10.8353 47.2286 GPRESSAVG: 2050000 -77.8221 -49.2037 -48.8585 -50.5357 8.30674 -9.93579 -49.7912 -10.0837 46.0438 TIMING: 2050000 CPU: 6180.79, 0.00300296/step Wall: 6180.79, 0.00300296/step, 2.46076 hours remaining, 208.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2050000 705.0385 2154.6080 1908.9210 121.8391 -205929.3238 17685.7870 0.0000 0.0000 34314.2156 -149038.9146 299.6746 -183353.1303 -148949.0321 299.0950 -78.0825 -43.2641 558136.8910 -7.7276 -7.8238 PRESSURE: 2050200 58.4834 -49.0876 36.4843 -49.088 -25.587 28.0639 36.4843 28.064 136.191 GPRESSURE: 2050200 85.1414 -45.9335 -5.21122 -33.0513 -6.8493 10.7487 30.0032 16.898 185.906 PRESSAVG: 2050200 71.7751 -59.9109 10.6744 -59.9109 -21.298 12.225 10.6745 12.2249 -17.9584 GPRESSAVG: 2050200 70.2611 -59.1021 10.652 -60.7963 -20.5146 12.3912 11.8558 9.85701 -16.9919 TIMING: 2050200 CPU: 6181.39, 0.00300097/step Wall: 6181.39, 0.00300097/step, 2.45896 hours remaining, 208.472656 MB of memory in use. ENERGY: 2050200 720.5447 2061.4452 1902.0216 113.7926 -206321.1596 17908.3962 0.0000 0.0000 34524.0669 -149090.8924 301.5073 -183614.9593 -148991.7882 299.9667 56.3624 88.0661 557481.5550 10.8396 10.9182 PRESSURE: 2050400 136.668 208.084 66.4189 208.084 -19.9909 -5.73778 66.4188 -5.73677 105.873 GPRESSURE: 2050400 136.449 175.894 81.8866 182.105 9.97552 -22.8656 -32.5243 42.824 170.267 PRESSAVG: 2050400 24.1847 -2.13079 41.7589 -2.13076 -77.6676 20.9655 41.7589 20.9656 42.311 GPRESSAVG: 2050400 25.4942 -3.08017 40.2645 0.53917 -78.3246 23.2973 41.6435 21.8726 41.849 TIMING: 2050400 CPU: 6181.99, 0.00300494/step Wall: 6181.99, 0.00300494/step, 2.46205 hours remaining, 208.472656 MB of memory in use. ENERGY: 2050400 719.7083 2096.5356 1942.1062 116.1958 -205913.5200 17782.6976 0.0000 0.0000 34204.4184 -149051.8580 298.7157 -183256.2764 -148956.9033 299.3573 74.1836 105.5640 558452.4019 -3.7240 -3.6605 PRESSURE: 2050600 45.565 81.1867 132.558 81.1862 154.602 -105.008 132.558 -105.009 -91.7551 GPRESSURE: 2050600 65.5164 -3.02642 51.1236 96.7973 168.801 -99.5766 71.1842 -149.816 -18.8539 PRESSAVG: 2050600 20.0887 38.6914 6.85704 38.6914 30.9882 19.6191 6.85711 19.6189 -35.4404 GPRESSAVG: 2050600 20.5488 38.4462 7.80188 40.0365 29.9708 18.2451 5.86634 20.3839 -34.5224 TIMING: 2050600 CPU: 6182.59, 0.00300014/step Wall: 6182.59, 0.00300014/step, 2.45795 hours remaining, 208.472656 MB of memory in use. ENERGY: 2050600 752.9502 2055.7696 1911.0603 112.8563 -206106.9979 17791.3826 0.0000 0.0000 34233.4244 -149249.5544 298.9690 -183482.9789 -149149.9305 299.7949 36.1372 71.8212 557674.5910 5.2122 5.3324 PRESSURE: 2050800 -147.596 -43.2941 12.7621 -43.2953 141.313 -53.4044 12.763 -53.4053 155.425 GPRESSURE: 2050800 -87.9225 -10.1968 -53.4843 -57.6935 136.428 54.5247 -36.4115 -16.2504 202.569 PRESSAVG: 2050800 28.4414 6.44049 -21.92 6.44035 4.55129 35.1446 -21.9199 35.1446 -1.22468 GPRESSAVG: 2050800 27.9685 8.17355 -23.2829 4.85095 5.223 34.8629 -20.6279 35.1564 -1.15178 TIMING: 2050800 CPU: 6183.18, 0.00298253/step Wall: 6183.18, 0.00298253/step, 2.44336 hours remaining, 208.472656 MB of memory in use. ENERGY: 2050800 731.2068 2071.0528 1910.5926 105.0742 -206196.4777 17853.0400 0.0000 0.0000 34153.9016 -149371.6098 298.2745 -183525.5114 -149281.6344 299.5264 49.7142 83.6914 556939.0258 10.5893 10.6799 PRESSURE: 2051000 80.3299 -155.646 103.698 -155.647 -104.309 -178.18 103.699 -178.182 111.3 GPRESSURE: 2051000 83.0701 -181.524 52.0596 -157.01 -57.9198 -183.616 90.6912 -203.828 156.235 PRESSAVG: 2051000 10.0568 -12.273 32.8316 -12.273 43.4908 12.4635 32.8316 12.4635 -107.01 GPRESSAVG: 2051000 10.2545 -14.3146 33.4283 -14.5608 43.1351 12.2394 32.1303 13.5814 -106.765 TIMING: 2051000 CPU: 6183.78, 0.00300716/step Wall: 6183.78, 0.00300716/step, 2.46337 hours remaining, 208.472656 MB of memory in use. ENERGY: 2051000 731.2822 2048.8542 1925.5452 98.7685 -206670.2554 18013.2435 0.0000 0.0000 34447.5429 -149405.0190 300.8390 -183852.5619 -149316.0857 298.4958 29.1071 60.4617 558035.1163 -17.8209 -17.7920 PRESSURE: 2051200 148.139 -98.2724 36.4892 -98.2736 31.7891 83.2009 36.4889 83.1998 55.3565 GPRESSURE: 2051200 169.282 -107.741 135.441 -142.403 57.2924 73.0158 -18.5672 55.8997 111.108 PRESSAVG: 2051200 23.4826 -20.3455 33.7433 -20.3456 -65.6801 -4.67727 33.7432 -4.67734 37.7807 GPRESSAVG: 2051200 25.1848 -18.3065 35.9785 -20.8912 -66.7427 -3.03874 33.1687 -7.91776 37.5272 TIMING: 2051200 CPU: 6184.39, 0.00300965/step Wall: 6184.39, 0.00300965/step, 2.46524 hours remaining, 208.472656 MB of memory in use. ENERGY: 2051200 760.5501 2081.8517 1910.2817 108.3303 -206628.0962 18135.5905 0.0000 0.0000 34275.0303 -149356.4617 299.3324 -183631.4919 -149257.8427 298.7844 78.4282 112.5609 556514.2211 -1.4723 -1.3436 PRESSURE: 2051400 12.4351 -114.18 115.977 -114.18 22.106 59.324 115.976 59.3237 -18.0488 GPRESSURE: 2051400 51.3408 2.292 169.402 -202.866 74.9369 115.654 129.296 48.559 -17.8083 PRESSAVG: 2051400 47.2177 -10.9478 29.7106 -10.9477 -108.618 23.3496 29.7106 23.3497 32.8134 GPRESSAVG: 2051400 46.26 -12.126 29.8355 -8.66411 -107.799 22.6605 31.4332 25.6117 33.0342 TIMING: 2051400 CPU: 6184.99, 0.00300998/step Wall: 6184.99, 0.00300998/step, 2.46534 hours remaining, 208.472656 MB of memory in use. ENERGY: 2051400 730.1072 2080.4346 1938.1222 115.2391 -206181.6105 17798.9059 0.0000 0.0000 34197.1313 -149321.6702 298.6521 -183518.8016 -149221.2892 299.2833 5.4974 36.1565 556754.6475 -9.5288 -9.5015 PRESSURE: 2051600 -190.602 31.7773 -4.39517 31.7774 -64.6617 -14.2696 -4.39618 -14.2695 -369.282 GPRESSURE: 2051600 -167.009 48.1942 66.6536 13.0508 -39.8832 91.0803 -33.8248 -136.477 -315.988 PRESSAVG: 2051600 35.1155 -11.5799 -15.7526 -11.5799 -68.4705 -14.6498 -15.7527 -14.6498 7.41704 GPRESSAVG: 2051600 35.7332 -12.2823 -16.7831 -9.84552 -68.7813 -15.6005 -15.3845 -16.4759 6.86437 TIMING: 2051600 CPU: 6185.59, 0.00301641/step Wall: 6185.59, 0.00301641/step, 2.47044 hours remaining, 208.675781 MB of memory in use. ENERGY: 2051600 756.6428 2052.9089 1916.9056 115.6167 -205924.0754 17560.5192 0.0000 0.0000 34070.0384 -149451.4439 297.5421 -183521.4823 -149354.0360 298.2161 -208.1818 -174.2932 558356.5259 -8.6460 -8.7279 PRESSURE: 2051800 108.272 -51.2866 6.33147 -51.286 -149.524 -21.1889 6.33282 -21.1889 60.9968 GPRESSURE: 2051800 109.232 -58.2242 42.9182 -52.8046 -133.884 -54.1629 17.618 15.9801 133.917 PRESSAVG: 2051800 -41.1273 -22.1591 13.2869 -22.159 -1.6635 14.0038 13.2869 14.0038 36.0705 GPRESSAVG: 2051800 -41.6925 -21.6207 13.1507 -24.2999 -1.75546 15.3315 13.2921 14.2559 36.3564 TIMING: 2051800 CPU: 6186.19, 0.00299912/step Wall: 6186.19, 0.00299912/step, 2.45611 hours remaining, 208.675781 MB of memory in use. ENERGY: 2051800 713.1419 2039.0936 1932.2567 116.2480 -206400.0108 17985.7217 0.0000 0.0000 34116.8524 -149496.6964 297.9510 -183613.5488 -149398.1323 298.1457 6.5814 36.4218 557292.5776 -2.2401 -2.3638 PRESSURE: 2052000 -253.458 -138.429 91.5053 -138.43 140.763 -74.7079 91.5046 -74.7072 49.2497 GPRESSURE: 2052000 -238.913 -168.241 33.0334 -132.522 189.311 -56.3055 130.456 3.26562 82.749 PRESSAVG: 2052000 -18.4834 51.1949 -20.9752 51.1949 31.9173 -14.712 -20.9752 -14.7118 44.2 GPRESSAVG: 2052000 -17.8768 51.2661 -21.6109 51.8258 31.2049 -15.7303 -23.0379 -14.6152 44.1298 TIMING: 2052000 CPU: 6186.8, 0.00302285/step Wall: 6186.8, 0.00302285/step, 2.47538 hours remaining, 208.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2052000 737.1318 2137.3114 1909.8538 115.0469 -206336.0743 17782.8119 0.0000 0.0000 34298.5375 -149355.3811 299.5377 -183653.9186 -149264.4594 298.8752 -21.1486 11.0490 556735.1544 19.2113 19.1527 PRESSURE: 2052200 -257.721 59.8985 -178.603 59.8981 -99.7858 28.6219 -178.604 28.6218 -83.9575 GPRESSURE: 2052200 -216.102 69.8519 -212.811 94.0831 -44.2588 -23.0639 -229.877 66.712 -84.8138 PRESSAVG: 2052200 -39.6188 28.2894 -46.1693 28.2894 11.0037 3.99539 -46.1692 3.99548 15.4565 GPRESSAVG: 2052200 -39.3422 27.6887 -45.3319 28.6748 11.0002 5.21211 -45.0547 4.54839 15.0345 TIMING: 2052200 CPU: 6187.39, 0.00299022/step Wall: 6187.39, 0.00299022/step, 2.44849 hours remaining, 208.683594 MB of memory in use. ENERGY: 2052200 755.5022 2118.3959 1928.6218 109.0716 -205979.9459 17692.5523 0.0000 0.0000 34059.9836 -149315.8186 297.4543 -183375.8022 -149224.6511 299.0241 -147.1547 -115.0581 559005.8125 -4.3862 -4.4358 LDB: ============= START OF LOAD BALANCING ============== 6190.91 LDB: ============== END OF LOAD BALANCING =============== 6190.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6190.91 LDB: ============= START OF LOAD BALANCING ============== 6191.22 LDB: Largest compute 4772 load 0.029894 is 25.3% of average load 0.118031 LDB: Average compute 0.001727 is 1.5% of average load 0.118031 LDB: TIME 6191.22 LOAD: AVG 0.118031 MAX 0.211086 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.508 MB LDB: TIME 6191.22 LOAD: AVG 0.118031 MAX 0.211086 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.508 MB LDB: TIME 6191.22 LOAD: AVG 0.118031 MAX 0.211086 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.508 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6191.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6191.23 PRESSURE: 2052400 -60.11 -116.262 0.204784 -116.262 -130.626 -108.779 0.205608 -108.78 -4.89193 GPRESSURE: 2052400 -75.9075 -57.7254 72.6114 -177.747 -67.5749 -138.21 56.8802 -100.929 56.5238 PRESSAVG: 2052400 14.6988 2.23976 20.3705 2.23978 -15.7661 -43.2019 20.3705 -43.2019 -15.64 GPRESSAVG: 2052400 13.6068 3.42843 19.4418 1.41922 -15.4829 -45.5782 21.2447 -42.9465 -15.3579 TIMING: 2052400 CPU: 6188.01, 0.00309098/step Wall: 6188.01, 0.00309098/step, 2.53082 hours remaining, 211.367188 MB of memory in use. ENERGY: 2052400 727.2191 2117.1000 1908.5736 108.5128 -205880.1142 17549.7563 0.0000 0.0000 34089.4590 -149379.4934 297.7117 -183468.9524 -149277.1228 298.5466 -65.2093 -28.9862 558006.3695 -5.5691 -5.7447 PRESSURE: 2052600 -229.349 78.3606 -130.949 78.3604 64.3246 1.71885 -130.948 1.71821 -201.818 GPRESSURE: 2052600 -172.292 24.6324 -112.958 40.5302 76.7152 -5.95943 -158.952 14.0467 -164.859 PRESSAVG: 2052600 -46.2913 -15.8366 11.7117 -15.8365 53.9101 -12.6445 11.7116 -12.6445 3.27314 GPRESSAVG: 2052600 -44.9535 -15.212 13.468 -16.1967 52.5829 -11.0128 10.9658 -12.9839 3.07603 TIMING: 2052600 CPU: 6188.62, 0.00303414/step Wall: 6188.62, 0.00303414/step, 2.48411 hours remaining, 210.816406 MB of memory in use. ENERGY: 2052600 778.4599 2088.4686 1947.7927 137.4820 -206237.4621 17765.2834 0.0000 0.0000 34164.8390 -149355.1365 298.3700 -183519.9755 -149262.8914 298.7730 -122.2807 -86.8122 558069.5796 3.6307 3.5685 PRESSURE: 2052800 140.553 -100.962 42.7423 -100.961 -44.9368 -67.1384 42.743 -67.1367 127.645 GPRESSURE: 2052800 162.19 -123.346 -11.7436 -4.73558 15.7986 -69.9347 136.581 -34.2516 147.246 PRESSAVG: 2052800 28.6967 7.02486 1.38538 7.02475 40.0359 40.4269 1.38533 40.4269 -19.6705 GPRESSAVG: 2052800 27.7457 5.1974 1.55157 7.69546 40.3913 39.8854 3.45832 40.3505 -19.407 TIMING: 2052800 CPU: 6189.23, 0.00303803/step Wall: 6189.23, 0.00303803/step, 2.48713 hours remaining, 210.816406 MB of memory in use. ENERGY: 2052800 757.5110 2096.4390 1950.6695 113.8589 -206591.9832 18112.6679 0.0000 0.0000 34282.2765 -149278.5604 299.3956 -183560.8369 -149180.4430 299.4563 74.4204 108.4116 558293.1905 16.3540 16.2433 PRESSURE: 2053000 59.3019 -44.9876 119.61 -44.9864 204.607 5.81042 119.61 5.80992 232.841 GPRESSURE: 2053000 76.4085 -61.5255 115.518 51.8743 239.112 17.1664 87.4957 -1.78288 269.155 PRESSAVG: 2053000 -50.4573 27.9122 -15.9189 27.9122 -21.3182 -35.9716 -15.9189 -35.9716 78.6392 GPRESSAVG: 2053000 -49.9894 28.0625 -17.2032 28.0823 -20.886 -35.4341 -18.8291 -34.4673 78.242 TIMING: 2053000 CPU: 6189.83, 0.00302526/step Wall: 6189.83, 0.00302526/step, 2.47651 hours remaining, 210.816406 MB of memory in use. ENERGY: 2053000 780.3599 2072.6431 1935.5541 113.8811 -206710.6936 18268.2175 0.0000 0.0000 34374.5972 -149165.4406 300.2019 -183540.0379 -149072.3173 298.7797 165.5834 194.8917 557125.8634 2.2879 2.4555 PRESSURE: 2053200 122.462 66.3775 22.272 66.3779 -204.75 -99.0069 22.2731 -99.0076 8.90156 GPRESSURE: 2053200 190.429 38.1973 -54.6099 0.928376 -174.006 -110.044 84.1729 -108.232 7.48242 PRESSAVG: 2053200 11.6509 42.9453 -52.0495 42.9452 -36.6621 -0.687818 -52.0495 -0.687746 64.3677 GPRESSAVG: 2053200 11.6881 42.693 -52.2043 41.2697 -36.3171 -1.61828 -52.1106 -3.74639 64.3219 TIMING: 2053200 CPU: 6190.43, 0.0030061/step Wall: 6190.43, 0.0030061/step, 2.46066 hours remaining, 210.816406 MB of memory in use. ENERGY: 2053200 738.2871 2083.1686 1930.3985 117.6550 -206577.3214 18031.5970 0.0000 0.0000 34346.1224 -149330.0929 299.9532 -183676.2153 -149230.3153 299.2096 -24.4622 7.9684 558535.7285 13.1188 13.2310 PRESSURE: 2053400 -24.2501 -37.7052 178.173 -37.7051 35.1795 53.2765 178.172 53.2756 -98.9398 GPRESSURE: 2053400 -56.6568 -59.6013 220.196 27.0545 100.386 13.283 199.317 55.799 -41.4015 PRESSAVG: 2053400 -56.9462 -7.87297 -39.711 -7.87296 -20.144 -23.0238 -39.7111 -23.0238 85.7828 GPRESSAVG: 2053400 -57.517 -7.89021 -40.3137 -4.60712 -19.6923 -23.5502 -36.4509 -20.6683 86.5324 TIMING: 2053400 CPU: 6191.03, 0.00296517/step Wall: 6191.03, 0.00296517/step, 2.42699 hours remaining, 210.816406 MB of memory in use. ENERGY: 2053400 705.8161 2129.4490 1963.2789 118.8093 -206229.0926 17816.4880 0.0000 0.0000 34100.6691 -149394.5821 297.8096 -183495.2512 -149298.1326 298.8505 -29.3368 0.7758 558743.8100 2.8975 3.1077 PRESSURE: 2053600 154.366 2.80371 65.8106 2.80347 184.754 -48.3962 65.8089 -48.3953 25.9562 GPRESSURE: 2053600 202.629 -3.46672 120.017 119.173 206.797 -76.2068 102.851 -7.51866 52.3037 PRESSAVG: 2053600 -2.73869 43.1525 67.6018 43.1525 -22.2615 -44.931 67.6018 -44.931 13.5708 GPRESSAVG: 2053600 -1.94783 42.8915 67.8578 41.7357 -22.0635 -44.5828 66.6791 -44.7196 13.1729 TIMING: 2053600 CPU: 6191.61, 0.00294253/step Wall: 6191.61, 0.00294253/step, 2.4083 hours remaining, 210.941406 MB of memory in use. ENERGY: 2053600 765.3578 2090.9041 1939.7661 120.0413 -206841.1063 18272.2949 0.0000 0.0000 34187.5482 -149465.1938 298.5684 -183652.7420 -149370.5209 298.1968 121.6921 153.9100 559016.5010 -3.8098 -3.6128 PRESSURE: 2053800 -407.171 59.289 -149.193 59.2898 -425.47 -122.35 -149.192 -122.352 -57.495 GPRESSURE: 2053800 -335.751 38.3226 -63.3182 -34.1579 -382.27 -181.694 -125.871 -94.7375 -63.3401 PRESSAVG: 2053800 -14.0369 22.2317 3.97285 22.2317 50.9404 -24.9244 3.97289 -24.9245 -10.307 GPRESSAVG: 2053800 -15.1576 22.3575 4.76591 22.3829 51.533 -23.1386 2.65259 -25.4568 -9.6862 TIMING: 2053800 CPU: 6192.21, 0.00298175/step Wall: 6192.21, 0.00298175/step, 2.44023 hours remaining, 210.941406 MB of memory in use. ENERGY: 2053800 793.6569 2054.5508 1932.2218 113.4813 -206079.9950 17539.3312 0.0000 0.0000 34104.9221 -149541.8310 297.8468 -183646.7531 -149447.9593 298.3233 -296.7120 -260.4539 560159.4575 8.8655 8.8964 PRESSURE: 2054000 75.514 70.1015 -18.8101 70.1006 68.9414 130.515 -18.8097 130.515 -86.4995 GPRESSURE: 2054000 99.4304 62.218 -58.9714 24.0033 78.5596 40.359 -40.797 210.959 -22.9625 PRESSAVG: 2054000 36.6697 12.2579 2.11531 12.258 -101.096 20.3739 2.11536 20.374 17.6483 GPRESSAVG: 2054000 37.0721 12.5777 3.31415 11.8007 -102.111 19.1193 1.88383 19.9047 18.327 TIMING: 2054000 CPU: 6192.81, 0.00298206/step Wall: 6192.81, 0.00298206/step, 2.44032 hours remaining, 210.941406 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: 2054000 774.4747 2155.8668 1933.6473 106.7675 -206618.1073 18071.9984 0.0000 0.0000 34244.5584 -149330.7940 299.0662 -183575.3524 -149235.0920 298.7346 19.3186 51.6758 559224.2967 -15.5928 -15.5707 PRESSURE: 2054200 -53.5643 37.0399 -82.1436 37.04 94.6129 165.658 -82.1431 165.657 208.315 GPRESSURE: 2054200 -73.9976 53.1276 -9.03287 40.3896 181.399 197.127 -57.4277 138.829 234.774 PRESSAVG: 2054200 -29.4073 6.44858 -33.4592 6.44863 16.5357 21.4985 -33.4593 21.4986 -6.57358 GPRESSAVG: 2054200 -28.3774 5.95721 -33.2827 6.56516 17.0314 20.1786 -33.3746 20.6922 -8.01219 TIMING: 2054200 CPU: 6193.4, 0.0029681/step Wall: 6193.4, 0.0029681/step, 2.42873 hours remaining, 210.949219 MB of memory in use. ENERGY: 2054200 757.6637 2098.6660 1950.2331 117.2561 -206575.1580 18052.3805 0.0000 0.0000 34199.8898 -149399.0688 298.6761 -183598.9586 -149301.5283 298.8846 83.1213 114.0585 558724.1340 -6.4817 -6.4527 PRESSURE: 2054400 22.2549 173.611 -25.4324 173.612 -162.026 233.557 -25.4331 233.557 -407.435 GPRESSURE: 2054400 74.5831 171.486 91.8792 209.15 -114.763 235.836 -42.6139 250.769 -413.086 PRESSAVG: 2054400 74.0829 83.916 -27.5044 83.9161 -46.2275 12.8879 -27.5044 12.888 -24.3952 GPRESSAVG: 2054400 74.9828 81.2195 -28.6266 85.4461 -46.7921 13.3243 -26.4066 13.9925 -24.6525 TIMING: 2054400 CPU: 6194, 0.00299119/step Wall: 6194, 0.00299119/step, 2.44746 hours remaining, 211.082031 MB of memory in use. ENERGY: 2054400 752.6230 2144.7230 1947.6756 104.4098 -206322.9115 17779.5698 0.0000 0.0000 34179.7829 -149414.1274 298.5005 -183593.9103 -149318.6968 299.1579 -182.4021 -151.0886 559674.8800 1.1534 1.1794 PRESSURE: 2054600 -30.6612 86.1953 28.2507 86.196 -158.517 259.988 28.2504 259.987 -281.782 GPRESSURE: 2054600 -23.1267 63.5736 24.5324 -2.64852 -81.3244 325.777 30.0871 161.679 -269.936 PRESSAVG: 2054600 47.6812 28.958 31.7831 28.9581 -8.63779 49.7313 31.7831 49.7313 -28.8573 GPRESSAVG: 2054600 47.7721 32.444 31.998 27.4881 -9.22994 51.097 31.6029 49.7804 -28.5968 TIMING: 2054600 CPU: 6194.6, 0.002991/step Wall: 6194.6, 0.002991/step, 2.44714 hours remaining, 211.082031 MB of memory in use. ENERGY: 2054600 741.3729 2125.6865 1934.1140 107.2235 -206233.6562 17663.5666 0.0000 0.0000 34244.9329 -149416.7597 299.0695 -183661.6927 -149322.2029 298.7461 -156.9866 -124.7957 558915.4862 3.3954 3.3151 PRESSURE: 2054800 -103.057 76.3008 -7.0369 76.3016 36.6387 -93.4486 -7.03767 -93.4486 177.969 GPRESSURE: 2054800 -54.3457 112.409 91.9267 110.324 80.7432 -104.938 -35.7044 -64.1975 181.733 PRESSAVG: 2054800 -13.9471 43.6634 -0.186001 43.6633 47.0058 41.1263 -0.186021 41.1264 -46.9285 GPRESSAVG: 2054800 -14.5949 40.9787 -1.30311 46.6353 49.0514 40.4674 0.153242 40.4752 -47.7563 TIMING: 2054800 CPU: 6195.2, 0.00300232/step Wall: 6195.2, 0.00300232/step, 2.45623 hours remaining, 211.082031 MB of memory in use. ENERGY: 2054800 758.3799 2134.0542 1957.0921 116.0356 -206580.7602 17910.3364 0.0000 0.0000 34376.6262 -149328.2358 300.2196 -183704.8620 -149230.3817 299.1295 37.1834 69.3768 556561.6332 -4.6233 -4.4333 PRESSURE: 2055000 90.8741 106.39 31.6418 106.391 -271.279 -36.0895 31.64 -36.0902 -49.3779 GPRESSURE: 2055000 99.6784 -33.9423 -24.7897 141.73 -221.567 29.4939 -10.3811 7.2509 -17.2975 PRESSAVG: 2055000 1.71118 17.9489 -21.2546 17.949 78.0636 16.4885 -21.2545 16.4885 -39.5684 GPRESSAVG: 2055000 0.981002 19.8941 -23.0724 14.7853 76.7608 14.563 -22.2042 18.0256 -37.6752 TIMING: 2055000 CPU: 6195.79, 0.00297417/step Wall: 6195.79, 0.00297417/step, 2.43304 hours remaining, 211.082031 MB of memory in use. ENERGY: 2055000 740.5962 2138.1091 1913.2310 120.3536 -206200.4968 17650.9027 0.0000 0.0000 34204.5796 -149432.7246 298.7171 -183637.3043 -149340.7072 299.2781 -76.5942 -46.3954 556910.8621 13.4022 13.3555 PRESSURE: 2055200 111.964 63.7239 65.298 63.7233 230.072 -67.1114 65.2966 -67.112 50.212 GPRESSURE: 2055200 92.0832 54.7336 -15.2512 56.1635 268.625 -67.1717 79.6884 -25.9492 122.333 PRESSAVG: 2055200 53.2651 -43.6049 27.4034 -43.6049 -10.117 38.5829 27.4034 38.583 -43.4042 GPRESSAVG: 2055200 53.401 -43.0453 30.0346 -43.938 -9.40364 39.8585 28.049 39.2748 -44.1735 TIMING: 2055200 CPU: 6196.38, 0.00294164/step Wall: 6196.38, 0.00294164/step, 2.40626 hours remaining, 211.082031 MB of memory in use. ENERGY: 2055200 719.8987 2140.5233 1942.5601 122.7725 -206411.3053 17883.1983 0.0000 0.0000 34271.1519 -149331.2004 299.2985 -183602.3523 -149240.3440 299.1787 130.7493 161.0139 555294.2820 -0.0854 -0.0587 PRESSURE: 2055400 -1.66935 -93.5434 77.0161 -93.5425 -40.9014 89.4834 77.0162 89.4833 0.460272 GPRESSURE: 2055400 56.5532 -5.73116 45.3048 -91.4704 -58.0751 79.7126 68.7807 27.5571 57.6405 PRESSAVG: 2055400 35.2723 8.40737 -3.25006 8.40734 -55.8048 16.8951 -3.25004 16.8952 -3.90882 GPRESSAVG: 2055400 35.7866 7.0852 -4.6179 10.6327 -56.8206 17.707 -3.14851 14.5756 -3.09665 TIMING: 2055400 CPU: 6196.97, 0.00294626/step Wall: 6196.97, 0.00294626/step, 2.40988 hours remaining, 211.082031 MB of memory in use. ENERGY: 2055400 760.6556 2115.1289 1953.2586 111.6624 -206144.6780 17715.8002 0.0000 0.0000 34365.0844 -149123.0880 300.1188 -183488.1724 -149028.8135 299.8623 -14.0368 18.7062 556797.6416 -8.1471 -8.0436 PRESSURE: 2055600 -15.157 -68.2607 -120.064 -68.2603 107.617 53.5067 -120.064 53.507 70.9068 GPRESSURE: 2055600 -67.6101 24.9603 -131.198 -7.96641 148.65 83.6477 -98.3967 -21.5939 181.481 PRESSAVG: 2055600 23.2303 -1.04145 -37.9087 -1.04145 -8.88255 -70.7992 -37.9087 -70.7992 12.5325 GPRESSAVG: 2055600 21.8633 0.360792 -36.6268 -1.71087 -7.15515 -70.4708 -39.193 -71.8478 12.3313 TIMING: 2055600 CPU: 6197.56, 0.00294738/step Wall: 6197.56, 0.00294738/step, 2.41063 hours remaining, 211.082031 MB of memory in use. ENERGY: 2055600 734.0110 2166.7227 1917.0839 111.4392 -206170.2159 17767.0586 0.0000 0.0000 34273.7831 -149200.1174 299.3215 -183473.9005 -149099.0290 300.0462 54.4554 87.5069 556522.2910 8.9601 9.0132 PRESSURE: 2055800 299.706 -228.571 80.2676 -228.571 -54.0703 -165.948 80.2665 -165.947 -61.6516 GPRESSURE: 2055800 369.191 -226.97 -14.8906 -283.019 -21.9864 -160.283 95.0757 -120.965 -54.5656 PRESSAVG: 2055800 42.0056 -17.2971 -4.15102 -17.2971 15.5356 -24.0269 -4.15095 -24.0268 -21.6329 GPRESSAVG: 2055800 43.5611 -17.7841 -4.71813 -20.043 14.2636 -23.0587 -2.95336 -22.9304 -22.052 TIMING: 2055800 CPU: 6198.15, 0.00295759/step Wall: 6198.15, 0.00295759/step, 2.41882 hours remaining, 211.082031 MB of memory in use. ENERGY: 2055800 760.0818 2077.4103 1965.3267 105.6182 -206159.5145 17836.5192 0.0000 0.0000 34239.9864 -149174.5720 299.0263 -183414.5584 -149085.7287 299.6421 61.3282 97.5464 555559.1120 11.9694 11.9243 PRESSURE: 2056000 45.8827 -135.515 -14.6034 -135.513 -56.8896 183.961 -14.6039 183.96 71.5516 GPRESSURE: 2056000 111.385 -84.8446 49.7014 -92.9808 -66.3711 201.857 14.2711 103.541 112.481 PRESSAVG: 2056000 -48.1992 -28.5175 -102.237 -28.5176 27.9823 -18.7754 -102.237 -18.7755 15.2941 GPRESSAVG: 2056000 -48.2347 -28.5613 -101.377 -26.4408 28.3773 -17.5547 -102.419 -19.6503 14.684 TIMING: 2056000 CPU: 6198.74, 0.00295958/step Wall: 6198.74, 0.00295958/step, 2.42028 hours remaining, 211.082031 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: 2056000 770.0820 2111.1310 1933.0402 104.6603 -206128.3832 17808.3138 0.0000 0.0000 34324.1019 -149077.0541 299.7609 -183401.1560 -148981.9904 299.4063 20.1816 52.4984 556288.6098 -1.6409 -1.7245 PRESSURE: 2056200 -4.57172 60.8872 -219.049 60.8864 -85.9906 95.9336 -219.049 95.9327 110.094 GPRESSURE: 2056200 22.8681 -80.2376 -222.675 40.7169 -133.032 102.45 -234.077 102.035 220.363 PRESSAVG: 2056200 -18.1074 -36.446 -57.3834 -36.446 -13.1516 17.4887 -57.3834 17.4888 4.06675 GPRESSAVG: 2056200 -18.5839 -36.2604 -57.3262 -35.7418 -13.0598 15.1165 -56.4919 18.169 4.19923 TIMING: 2056200 CPU: 6199.33, 0.00295883/step Wall: 6199.33, 0.00295883/step, 2.4195 hours remaining, 211.082031 MB of memory in use. ENERGY: 2056200 742.3942 2158.8865 1934.7730 103.6166 -206277.6954 17920.6116 0.0000 0.0000 34347.9824 -149069.4310 299.9695 -183417.4134 -148973.6736 299.8017 6.5107 36.7331 558590.0225 -9.0641 -9.1482 LDB: ============= START OF LOAD BALANCING ============== 6202.85 LDB: ============== END OF LOAD BALANCING =============== 6202.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6202.85 LDB: ============= START OF LOAD BALANCING ============== 6203.15 LDB: Largest compute 4772 load 0.027753 is 23.5% of average load 0.118160 LDB: Average compute 0.001725 is 1.5% of average load 0.118160 LDB: TIME 6203.15 LOAD: AVG 0.11816 MAX 0.203509 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.703 MB LDB: TIME 6203.15 LOAD: AVG 0.11816 MAX 0.203509 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.703 MB LDB: TIME 6203.15 LOAD: AVG 0.11816 MAX 0.203509 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.703 MB LDB: ============== END OF LOAD BALANCING =============== 6203.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6203.16 PRESSURE: 2056400 -0.864175 -74.5791 -51.9173 -74.579 48.0795 -64.4867 -51.9171 -64.4874 202.984 GPRESSURE: 2056400 65.4524 -115.192 -65.1455 -64.5746 95.9258 -126.251 40.107 -50.9022 180.573 PRESSAVG: 2056400 19.5101 34.5793 -4.78015 34.5794 -10.5876 0.287608 -4.7802 0.287705 11.5951 GPRESSAVG: 2056400 19.221 33.6236 -6.30218 32.6244 -10.8469 0.711831 -5.01554 0.867237 12.3183 TIMING: 2056400 CPU: 6199.94, 0.00302213/step Wall: 6199.94, 0.00302213/step, 2.47109 hours remaining, 207.507812 MB of memory in use. ENERGY: 2056400 733.3409 2114.0306 1916.9750 111.4932 -206407.4219 18022.3357 0.0000 0.0000 34412.0746 -149097.1719 300.5292 -183509.2465 -148996.0167 299.8506 83.3999 113.9836 556941.6208 6.8392 6.8975 PRESSURE: 2056600 1.85795 -53.0824 -129.604 -53.0828 31.0196 -112.833 -129.604 -112.834 82.9631 GPRESSURE: 2056600 -8.7928 -52.4805 -105.236 -38.498 79.8271 -184.67 -113.33 -134.147 146.882 PRESSAVG: 2056600 4.63694 9.71372 35.4747 9.71372 -5.74395 36.4443 35.4747 36.4443 -8.3222 GPRESSAVG: 2056600 5.65628 12.563 36.5906 8.92255 -4.02382 35.4878 35.2905 37.6278 -10.0944 TIMING: 2056600 CPU: 6200.53, 0.00297427/step Wall: 6200.53, 0.00297427/step, 2.4318 hours remaining, 207.765625 MB of memory in use. ENERGY: 2056600 778.1294 2057.4232 1927.1141 105.0738 -206428.6158 18037.1551 0.0000 0.0000 34523.8874 -148999.8328 301.5057 -183523.7202 -148898.8915 299.6729 38.6136 72.6386 557319.8309 -3.1431 -2.8206 PRESSURE: 2056800 -172.33 4.32579 -50.8719 4.32589 -168.745 114.654 -50.8714 114.654 -195.207 GPRESSURE: 2056800 -184.951 6.65299 -12.411 -18.0912 -113.026 135.835 -34.0521 123.692 -141.631 PRESSAVG: 2056800 -7.14 32.1916 48.0008 32.1915 -8.53845 -4.66818 48.0007 -4.66812 -6.4761 GPRESSAVG: 2056800 -9.36421 30.2145 49.2969 33.7671 -7.884 -3.56674 47.9982 -3.97318 -4.64969 TIMING: 2056800 CPU: 6201.13, 0.00296025/step Wall: 6201.13, 0.00296025/step, 2.42017 hours remaining, 207.765625 MB of memory in use. ENERGY: 2056800 725.7698 2127.0097 1937.3221 114.2266 -205762.3402 17463.4716 0.0000 0.0000 34218.4208 -149176.1195 298.8380 -183394.5403 -149074.5412 299.7224 -178.7608 -146.5361 557274.7328 -7.3848 -7.2993 PRESSURE: 2057000 -221.3 74.3696 -89.9993 74.3703 -173.776 37.3606 -90.0006 37.362 23.4001 GPRESSURE: 2057000 -161.646 49.2235 -63.7243 82.5274 -132.315 105.849 -88.2191 50.8621 21.8214 PRESSAVG: 2057000 -8.48007 42.7439 -38.0317 42.7439 -1.17303 19.428 -38.0316 19.4281 51.3517 GPRESSAVG: 2057000 -7.25572 42.9201 -40.9224 39.6932 -2.34235 20.2358 -37.4048 18.2925 50.678 TIMING: 2057000 CPU: 6201.72, 0.002991/step Wall: 6201.72, 0.002991/step, 2.44514 hours remaining, 208.019531 MB of memory in use. ENERGY: 2057000 767.3460 2123.7562 1921.9222 109.7634 -206254.5873 17844.8512 0.0000 0.0000 34318.1790 -149168.7693 299.7092 -183486.9483 -149077.4089 299.5019 -123.8919 -90.7132 557452.0588 13.8995 13.6933 PRESSURE: 2057200 -156.781 -35.392 17.9634 -35.3928 -293.216 -87.7792 17.9623 -87.7805 -78.5183 GPRESSURE: 2057200 -135.595 -8.2532 56.2567 -71.6485 -249.659 -113.091 -49.7506 -124.72 -53.949 PRESSAVG: 2057200 -45.1163 18.7005 -27.3754 18.7005 40.5326 -27.0315 -27.3755 -27.0315 16.473 GPRESSAVG: 2057200 -45.1334 22.4026 -26.009 20.0704 39.0962 -27.2128 -28.1499 -29.2088 17.7174 TIMING: 2057200 CPU: 6202.32, 0.00296162/step Wall: 6202.32, 0.00296162/step, 2.42096 hours remaining, 208.019531 MB of memory in use. ENERGY: 2057200 777.9444 2128.0590 1949.6147 108.6460 -205898.6837 17571.0589 0.0000 0.0000 34176.3245 -149187.0363 298.4703 -183363.3607 -149092.3852 299.3292 -176.1718 -146.4011 559074.8299 3.9631 3.8934 PRESSURE: 2057400 81.8249 8.58978 -22.8572 8.58956 -33.974 37.5016 -22.8571 37.5015 -340.27 GPRESSURE: 2057400 92.4933 55.1316 -39.3468 -91.0753 38.8679 42.1757 -3.80785 -2.4376 -323.611 PRESSAVG: 2057400 -39.0955 8.06856 1.01404 8.06853 62.0031 -35.2545 1.01392 -35.2545 3.31088 GPRESSAVG: 2057400 -38.4011 6.58512 0.914874 8.21472 61.8261 -36.938 1.78486 -33.1567 2.21859 TIMING: 2057400 CPU: 6202.91, 0.00297556/step Wall: 6202.91, 0.00297556/step, 2.43219 hours remaining, 208.019531 MB of memory in use. ENERGY: 2057400 740.9616 2110.9230 1912.0064 105.6225 -206229.2971 17801.0630 0.0000 0.0000 34339.3994 -149219.3212 299.8945 -183558.7206 -149122.8024 299.2937 -97.4730 -64.0832 557124.1069 8.7395 8.5479 PRESSURE: 2057600 -140.43 64.7391 40.81 64.7405 15.9356 50.3286 40.8119 50.3278 -4.97311 GPRESSURE: 2057600 -119.608 155.932 5.57333 -1.28083 95.5568 59.8059 173.509 -1.81835 2.3817 PRESSAVG: 2057600 26.7148 39.9565 -20.4646 39.9565 17.348 -4.94431 -20.4646 -4.94431 -44.1024 GPRESSAVG: 2057600 25.8021 38.5526 -18.6601 40.6107 18.1827 -4.55845 -20.9995 -5.27276 -44.2068 TIMING: 2057600 CPU: 6203.51, 0.00297808/step Wall: 6203.51, 0.00297808/step, 2.43408 hours remaining, 208.019531 MB of memory in use. ENERGY: 2057600 791.7601 2141.6699 1906.9207 113.9402 -206359.1645 17821.8230 0.0000 0.0000 34282.2881 -149300.7624 299.3957 -183583.0505 -149199.0051 299.9125 -43.1560 -7.2233 557390.8900 -0.0132 -0.0740 PRESSURE: 2057800 -377.736 -71.5804 -36.6302 -71.5786 224.926 -148.814 -36.6318 -148.815 117.707 GPRESSURE: 2057800 -347.188 -70.1729 -40.69 -63.9835 335.529 -129.649 -100.296 -152.499 78.4954 PRESSAVG: 2057800 -34.8782 37.4519 -5.45824 37.4519 13.7003 15.2626 -5.4583 15.2625 6.80817 GPRESSAVG: 2057800 -35.9105 38.3625 -6.11018 37.6329 13.9383 17.1935 -6.38726 13.4075 6.87286 TIMING: 2057800 CPU: 6204.11, 0.00299293/step Wall: 6204.11, 0.00299293/step, 2.44606 hours remaining, 208.019531 MB of memory in use. ENERGY: 2057800 731.6419 2144.3883 1936.5757 111.4815 -206520.9491 17893.4021 0.0000 0.0000 34492.3087 -149211.1509 301.2299 -183703.4597 -149117.6407 299.5807 -11.7011 22.2788 558026.9617 -4.7899 -5.0331 PRESSURE: 2058000 35.8776 -57.9504 -78.5768 -57.95 22.39 -1.49506 -78.5761 -1.4957 -25.3335 GPRESSURE: 2058000 79.1952 -63.5911 -6.56969 4.78526 57.2044 69.4175 -47.8346 -75.5651 -18.3833 PRESSAVG: 2058000 -12.4943 -10.9161 -18.6308 -10.9161 9.06153 -87.5964 -18.6308 -87.5964 -2.40138 GPRESSAVG: 2058000 -11.9753 -12.0225 -18.1951 -12.3792 9.90102 -91.6868 -17.6385 -84.3701 -3.83303 TIMING: 2058000 CPU: 6204.71, 0.00300658/step Wall: 6204.71, 0.00300658/step, 2.45705 hours remaining, 208.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2058000 765.2089 2096.9210 1919.6206 105.8732 -206010.5727 17863.7081 0.0000 0.0000 34050.7062 -149208.5348 297.3733 -183259.2410 -149116.6917 299.7507 10.9780 39.3388 558336.0270 -1.9447 -1.9691 PRESSURE: 2058200 329.003 5.44175 63.4124 5.44228 103.541 -82.5534 63.4142 -82.5555 25.848 GPRESSURE: 2058200 368.946 -102.897 21.0061 -30.0183 79.3448 -118.62 40.1342 -76.3093 96.421 PRESSAVG: 2058200 50.2339 -34.9129 33.7003 -34.9129 -25.5325 -87.502 33.7002 -87.502 -42.5214 GPRESSAVG: 2058200 50.2848 -33.8341 33.0381 -35.2686 -27.029 -84.4387 31.0871 -87.3984 -41.0021 TIMING: 2058200 CPU: 6205.31, 0.00299658/step Wall: 6205.31, 0.00299658/step, 2.44871 hours remaining, 208.019531 MB of memory in use. ENERGY: 2058200 718.1958 2139.4458 1937.1623 95.1262 -206368.3145 17995.1486 0.0000 0.0000 34235.1390 -149248.0968 298.9840 -183483.2358 -149149.4260 298.6585 152.7974 181.5707 556755.9931 -5.9400 -5.9154 PRESSURE: 2058400 48.4843 -163.204 -171.701 -163.203 38.3263 -75.8393 -171.703 -75.8397 -56.1291 GPRESSURE: 2058400 88.8006 -148.028 -90.7678 -190.654 36.3708 -48.7307 -206.265 -109.667 9.09581 PRESSAVG: 2058400 -4.08993 -21.1089 -29.9097 -21.1088 -23.1512 -29.6192 -29.9097 -29.6192 2.75176 GPRESSAVG: 2058400 -3.36059 -21.6185 -30.0115 -21.5977 -23.1294 -30.1069 -27.8552 -31.7713 1.96982 TIMING: 2058400 CPU: 6205.91, 0.0030099/step Wall: 6205.91, 0.0030099/step, 2.45942 hours remaining, 208.019531 MB of memory in use. ENERGY: 2058400 739.7186 2115.6942 1927.7027 128.1126 -206123.6372 17770.4087 0.0000 0.0000 34310.3043 -149131.6961 299.6404 -183442.0004 -149030.4758 299.3906 10.2272 44.7558 557607.5770 -8.1631 -8.1734 PRESSURE: 2058600 -168.72 -25.9221 -51.8777 -25.9226 12.7093 -202.851 -51.8775 -202.85 -397.722 GPRESSURE: 2058600 -170.787 -7.08565 -92.6863 -19.951 5.81567 -146.051 -58.509 -166.435 -283.022 PRESSAVG: 2058600 18.0568 -61.1958 -16.4563 -61.1957 -59.7557 -19.488 -16.4562 -19.4881 0.950766 GPRESSAVG: 2058600 16.86 -61.3638 -16.0253 -60.9106 -59.264 -19.1185 -15.7773 -18.8652 1.60187 TIMING: 2058600 CPU: 6206.51, 0.00298301/step Wall: 6206.51, 0.00298301/step, 2.43729 hours remaining, 208.019531 MB of memory in use. ENERGY: 2058600 765.9124 2148.1631 1927.4837 110.7693 -206061.8772 17549.0261 0.0000 0.0000 34245.8738 -149314.6488 299.0777 -183560.5226 -149210.9968 299.1143 -184.5775 -149.3313 558191.7828 -13.5827 -13.6007 PRESSURE: 2058800 -109.495 124.464 1.97568 124.464 52.3122 -184.645 1.97632 -184.644 122.39 GPRESSURE: 2058800 -18.1244 74.2889 37.6563 184.943 87.953 -88.3826 -32.9902 -254.941 86.6702 PRESSAVG: 2058800 50.1142 -6.3063 -20.6772 -6.30623 -37.3712 -42.9398 -20.6772 -42.9398 18.0783 GPRESSAVG: 2058800 50.1758 -5.00667 -22.3931 -4.17083 -37.0031 -43.0038 -20.7686 -44.0351 17.3664 TIMING: 2058800 CPU: 6207.11, 0.00300019/step Wall: 6207.11, 0.00300019/step, 2.45115 hours remaining, 208.019531 MB of memory in use. ENERGY: 2058800 783.0833 2141.1868 1931.9448 122.8516 -206395.0513 17860.1120 0.0000 0.0000 34236.2792 -149319.5937 298.9939 -183555.8729 -149228.2064 299.1427 21.7358 52.1663 556832.3208 10.2738 10.1797 PRESSURE: 2059000 66.7061 -72.4206 -55.8369 -72.4207 -99.7128 -18.1329 -55.836 -18.1314 376.046 GPRESSURE: 2059000 89.4869 -115.97 -83.0131 -94.855 -44.0864 -66.1556 -21.6118 18.1563 415.393 PRESSAVG: 2059000 23.2744 -51.857 9.84059 -51.857 -18.3822 -33.5705 9.84074 -33.5705 9.14202 GPRESSAVG: 2059000 22.38 -55.2625 10.604 -51.0166 -17.8285 -36.8979 9.8904 -29.8107 8.576 TIMING: 2059000 CPU: 6207.7, 0.00299631/step Wall: 6207.7, 0.00299631/step, 2.44782 hours remaining, 208.019531 MB of memory in use. ENERGY: 2059000 766.9504 2064.2262 1928.7402 109.9545 -206848.8305 18121.5743 0.0000 0.0000 34417.1138 -149440.2712 300.5732 -183857.3850 -149340.4152 299.0600 114.3464 153.5979 556884.5855 4.6781 4.3758 PRESSURE: 2059200 -69.0026 -60.579 28.5423 -60.5785 -188.486 -55.679 28.5433 -55.6784 -160.373 GPRESSURE: 2059200 -36.853 -61.9212 -17.8978 -17.3357 -148.321 -37.1432 8.84651 -28.9552 -132.677 PRESSAVG: 2059200 18.4848 -4.72918 37.6424 -4.72919 -2.26356 7.8183 37.6423 7.81828 6.20542 GPRESSAVG: 2059200 19.1305 -2.2465 38.2884 -6.98705 -3.65969 9.41952 37.1916 6.9928 6.59924 TIMING: 2059200 CPU: 6208.3, 0.00297406/step Wall: 6208.3, 0.00297406/step, 2.42948 hours remaining, 208.019531 MB of memory in use. ENERGY: 2059200 736.2478 2090.9574 1916.2562 122.2333 -205995.0641 17623.0433 0.0000 0.0000 34005.7353 -149500.5907 296.9805 -183506.3261 -149397.6068 298.7553 -139.2873 -105.9504 557953.3807 7.4756 7.3567 PRESSURE: 2059400 148.483 -62.5194 -28.9715 -62.5183 -178.26 87.6175 -28.9714 87.6172 -63.2785 GPRESSURE: 2059400 153.501 -62.4966 -31.4471 -75.7084 -157.952 110.085 33.9745 79.2195 5.31904 PRESSAVG: 2059400 58.7956 -25.4449 6.22806 -25.4448 -37.485 1.17949 6.22804 1.1795 -13.2249 GPRESSAVG: 2059400 59.1973 -25.4306 5.59194 -24.0977 -37.6666 1.77569 6.21795 1.4694 -13.0572 TIMING: 2059400 CPU: 6208.9, 0.00298037/step Wall: 6208.9, 0.00298037/step, 2.43447 hours remaining, 208.019531 MB of memory in use. ENERGY: 2059400 761.1619 2119.6791 1949.1939 106.3421 -206736.5072 18002.6603 0.0000 0.0000 34263.0278 -149534.4421 299.2275 -183797.4699 -149443.9751 298.2377 -31.0188 0.2894 558066.6311 2.6952 2.8245 PRESSURE: 2059600 -262.261 -77.9562 -12.662 -77.9566 414.772 74.037 -12.6627 74.037 266.979 GPRESSURE: 2059600 -203.123 -35.5047 -39.153 -9.46723 446.064 97.124 -9.57218 126.75 272.629 PRESSAVG: 2059600 41.9863 -30.6301 11.4291 -30.6301 34.9639 -23.8141 11.4292 -23.8141 -73.5737 GPRESSAVG: 2059600 42.0774 -29.9894 11.1363 -32.6165 34.836 -24.1469 11.0108 -24.3277 -73.5805 TIMING: 2059600 CPU: 6209.49, 0.00299486/step Wall: 6209.49, 0.00299486/step, 2.44613 hours remaining, 208.019531 MB of memory in use. ENERGY: 2059600 767.2566 2079.8820 1929.5363 108.5920 -206515.3364 17971.1458 0.0000 0.0000 34066.6325 -149592.2913 297.5124 -183658.9238 -149500.9234 298.0077 139.8299 171.8569 555709.2843 1.1255 1.1110 PRESSURE: 2059800 -129.089 -104.287 -107.118 -104.286 99.5478 56.4319 -107.12 56.4306 -98.7802 GPRESSURE: 2059800 -59.9225 -128.841 -48.7635 -39.8107 53.306 181.071 -76.7298 -100.686 -26.9918 PRESSAVG: 2059800 21.3163 9.63622 41.7272 9.63624 -20.3321 -54.0299 41.7272 -54.0298 -15.0363 GPRESSAVG: 2059800 21.8145 10.1238 43.3495 9.83622 -20.6578 -53.3009 41.78 -55.3875 -14.9297 TIMING: 2059800 CPU: 6210.1, 0.0030113/step Wall: 6210.1, 0.0030113/step, 2.4594 hours remaining, 208.074219 MB of memory in use. ENERGY: 2059800 788.7699 2056.0264 1903.2445 105.0171 -206791.8278 18059.3009 0.0000 0.0000 34314.3576 -149565.1114 299.6758 -183879.4690 -149470.8719 299.0782 -42.7738 -11.2028 558302.8469 -4.6841 -4.5910 PRESSURE: 2060000 -123.806 31.887 97.2353 31.887 -210.227 -6.56222 97.2358 -6.56443 -213.1 GPRESSURE: 2060000 -99.7073 -52.6979 119.539 94.4135 -195.386 -108.13 84.2228 -1.45358 -173.956 PRESSAVG: 2060000 -52.1415 85.9021 14.229 85.9021 -17.691 -22.0225 14.2291 -22.0224 48.8716 GPRESSAVG: 2060000 -53.1693 83.4621 13.5008 87.5854 -16.3374 -22.4579 15.2891 -20.2061 48.2776 TIMING: 2060000 CPU: 6210.69, 0.00298728/step Wall: 6210.69, 0.00298728/step, 2.43961 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: 2060000 788.7440 2092.3907 1928.6253 124.1215 -206254.7120 17663.1966 0.0000 0.0000 34102.7136 -149554.9202 297.8275 -183657.6338 -149460.5639 298.8578 -182.3775 -156.3500 558321.1461 -6.9869 -7.0764 PRESSURE: 2060200 49.4848 21.3134 -22.3104 21.3143 -3.96649 -172.673 -22.3108 -172.67 72.4819 GPRESSURE: 2060200 90.0312 49.6436 -65.3212 -14.4852 62.3583 -194.66 33.9244 -109.832 47.7327 PRESSAVG: 2060200 85.3953 18.4183 -33.3195 18.4184 -37.8402 -2.9139 -33.3194 -2.91388 -14.9301 GPRESSAVG: 2060200 86.0604 19.2427 -34.8159 17.5965 -39.7897 -2.10551 -32.842 -3.36229 -14.0534 TIMING: 2060200 CPU: 6211.3, 0.0030056/step Wall: 6211.3, 0.0030056/step, 2.4544 hours remaining, 208.074219 MB of memory in use. ENERGY: 2060200 718.7607 2129.2085 1923.4997 117.8918 -206374.5440 17842.4352 0.0000 0.0000 34011.3573 -149631.3907 297.0296 -183642.7481 -149536.4771 298.3482 39.3334 66.7074 557872.2929 10.8750 10.7391 LDB: ============= START OF LOAD BALANCING ============== 6214.81 LDB: ============== END OF LOAD BALANCING =============== 6214.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6214.82 LDB: ============= START OF LOAD BALANCING ============== 6215.11 LDB: Largest compute 4801 load 0.027692 is 23.4% of average load 0.118109 LDB: Average compute 0.001727 is 1.5% of average load 0.118109 LDB: TIME 6215.12 LOAD: AVG 0.118109 MAX 0.203666 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.629 MB LDB: TIME 6215.12 LOAD: AVG 0.118109 MAX 0.203666 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.832 MB LDB: TIME 6215.12 LOAD: AVG 0.118109 MAX 0.203666 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.832 MB LDB: ============== END OF LOAD BALANCING =============== 6215.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6215.12 PRESSURE: 2060400 -10.7807 -133.08 -22.3154 -133.08 -225.244 226.636 -22.3145 226.638 -230.435 GPRESSURE: 2060400 24.3278 -157.122 22.0496 -159.221 -158.746 190.568 -43.4397 211.417 -238.45 PRESSAVG: 2060400 81.5781 50.7074 7.9966 50.7074 -40.717 -39.2384 7.99665 -39.2385 7.11526 GPRESSAVG: 2060400 80.673 46.9548 9.53254 54.7548 -40.2337 -39.998 7.85002 -37.6972 7.6398 TIMING: 2060400 CPU: 6211.91, 0.00305989/step Wall: 6211.91, 0.00305989/step, 2.49857 hours remaining, 209.785156 MB of memory in use. ENERGY: 2060400 785.1834 2086.4964 1913.1570 121.7873 -206292.1552 17929.4299 0.0000 0.0000 34027.9003 -149428.2010 297.1741 -183456.1013 -149334.0076 298.3590 -155.4865 -124.2893 559628.1230 15.9921 16.0264 PRESSURE: 2060600 -371.687 -33.4247 -162.841 -33.4252 -18.211 -75.5711 -162.842 -75.5714 -77.2587 GPRESSURE: 2060600 -362.67 52.1561 -96.9039 -71.3194 39.263 -84.2297 -166.293 -85.2787 -44.5833 PRESSAVG: 2060600 8.06892 55.9307 -35.6975 55.9307 30.1651 72.7967 -35.6974 72.7966 -77.2809 GPRESSAVG: 2060600 9.16418 59.2847 -34.9463 52.3794 29.4717 72.8106 -38.3046 71.2335 -77.4953 TIMING: 2060600 CPU: 6212.5, 0.00297556/step Wall: 6212.5, 0.00297556/step, 2.42954 hours remaining, 210.093750 MB of memory in use. ENERGY: 2060600 737.0370 2126.8104 1904.2014 108.6506 -206117.4070 17567.9779 0.0000 0.0000 34155.0650 -149517.6647 298.2847 -183672.7297 -149433.6660 297.9854 -155.7190 -122.6633 557390.2658 -13.0156 -12.9531 PRESSURE: 2060800 -352.573 35.4213 16.7699 35.421 -130.76 -57.6283 16.7696 -57.6274 -130.45 GPRESSURE: 2060800 -324.741 143.523 91.4789 -7.48945 -89.462 -157.385 23.1582 -73.6576 -95.1857 PRESSAVG: 2060800 15.6951 46.5808 -11.4357 46.5808 21.12 -54.8457 -11.4357 -54.8458 -43.7097 GPRESSAVG: 2060800 15.2159 48.622 -13.3216 46.189 22.3195 -54.9489 -9.1302 -55.0847 -43.7172 TIMING: 2060800 CPU: 6213.1, 0.00296607/step Wall: 6213.1, 0.00296607/step, 2.42163 hours remaining, 210.093750 MB of memory in use. ENERGY: 2060800 756.6890 2023.7706 1891.2026 110.1241 -205880.6915 17501.4684 0.0000 0.0000 34311.1458 -149286.2909 299.6478 -183597.4367 -149182.6860 298.4636 -204.5946 -169.7961 559144.5063 -2.2982 -2.0606 PRESSURE: 2061000 -392.346 109.125 -140.546 109.126 -111.99 74.0629 -140.545 74.0629 -358.495 GPRESSURE: 2061000 -369.433 -13.3151 -216.255 94.314 -39.9455 139.852 -177.659 13.5826 -360.301 PRESSAVG: 2061000 -28.6098 26.9982 -57.6683 26.9982 36.6999 -31.6953 -57.6683 -31.6953 -31.7098 GPRESSAVG: 2061000 -28.0256 24.6497 -57.1989 27.8655 37.3003 -31.1995 -57.4549 -33.1342 -32.3477 TIMING: 2061000 CPU: 6213.69, 0.00296875/step Wall: 6213.69, 0.00296875/step, 2.42366 hours remaining, 210.093750 MB of memory in use. ENERGY: 2061000 810.6213 2034.6322 1956.8977 111.8375 -205916.4351 17461.9041 0.0000 0.0000 34150.7250 -149389.8172 298.2468 -183540.5421 -149297.3787 298.2503 -287.6105 -256.5599 557520.7864 -7.8732 -7.6910 PRESSURE: 2061200 -145.605 83.4995 -77.2199 83.4996 78.2289 -44.1899 -77.2191 -44.1899 127.164 GPRESSURE: 2061200 -110.689 114.694 -91.0447 83.378 75.9848 -33.4625 -94.2807 -48.2236 195.294 PRESSAVG: 2061200 -62.6683 22.8053 0.694474 22.8053 34.9937 26.1149 0.694453 26.1149 61.7647 GPRESSAVG: 2061200 -62.5163 24.8808 -1.30219 22.4834 36.0957 28.3679 -0.500225 25.2028 60.6435 TIMING: 2061200 CPU: 6214.29, 0.00299689/step Wall: 6214.29, 0.00299689/step, 2.44646 hours remaining, 210.238281 MB of memory in use. ENERGY: 2061200 750.0536 2077.7223 1931.4458 108.1148 -206024.0548 17781.0713 0.0000 0.0000 34177.9025 -149197.7445 298.4841 -183375.6470 -149100.2477 299.2354 19.9294 53.5301 556509.6522 11.3634 11.4076 PRESSURE: 2061400 108.62 9.47687 -75.4397 9.47649 117.005 116.965 -75.4397 116.966 28.5468 GPRESSURE: 2061400 135.708 35.6603 -36.451 -9.44985 126.32 171.395 -96.0381 63.0421 79.165 PRESSAVG: 2061400 -47.6884 70.7017 -3.54975 70.7016 -36.793 19.83 -3.54967 19.83 63.5551 GPRESSAVG: 2061400 -48.2341 71.2686 -0.960938 69.4097 -37.3213 15.7826 -2.73577 22.2906 64.6213 TIMING: 2061400 CPU: 6214.88, 0.00296466/step Wall: 6214.88, 0.00296466/step, 2.41999 hours remaining, 210.238281 MB of memory in use. ENERGY: 2061400 713.5317 2123.0050 1911.4995 103.1934 -206057.6438 17871.6507 0.0000 0.0000 34447.2146 -148887.5488 300.8361 -183334.7634 -148783.1633 299.3095 84.7240 113.7312 557103.0279 -6.9754 -6.9780 PRESSURE: 2061600 271.272 -135.324 99.4134 -135.324 -53.2852 -47.7857 99.4127 -47.787 156.808 GPRESSURE: 2061600 297.746 -54.7046 46.6874 -204.774 15.4249 6.0745 97.4072 -85.2468 169.373 PRESSAVG: 2061600 2.27632 22.6477 -8.11891 22.6476 -32.8226 -14.4362 -8.11887 -14.4361 63.8904 GPRESSAVG: 2061600 2.63768 20.0152 -7.51412 23.9291 -32.8462 -12.6763 -8.94626 -16.4097 63.7096 TIMING: 2061600 CPU: 6215.48, 0.00298848/step Wall: 6215.48, 0.00298848/step, 2.43926 hours remaining, 210.238281 MB of memory in use. ENERGY: 2061600 751.3401 2102.3767 1925.7396 124.1450 -205776.7645 17853.9938 0.0000 0.0000 34337.7187 -148681.4505 299.8798 -183019.1692 -148586.9228 299.6305 124.9315 160.8477 557172.0798 11.1147 11.1670 PRESSURE: 2061800 29.0701 102.412 94.9619 102.412 223.991 77.3208 94.9608 77.3208 -164.745 GPRESSURE: 2061800 54.4054 104.294 164.297 121.853 305.068 108.533 10.5609 54.8625 -166.255 PRESSAVG: 2061800 43.9089 15.0456 30.6253 15.0456 -58.3563 33.9818 30.6253 33.9817 33.0389 GPRESSAVG: 2061800 43.9335 15.2962 28.5708 14.3891 -58.6216 33.4486 31.9356 35.8549 33.1741 TIMING: 2061800 CPU: 6216.08, 0.00299342/step Wall: 6216.08, 0.00299342/step, 2.44313 hours remaining, 210.238281 MB of memory in use. ENERGY: 2061800 696.3119 2077.8382 1931.3333 104.8493 -205635.2992 17663.4077 0.0000 0.0000 34330.8771 -148830.6817 299.8201 -183161.5589 -148734.6031 299.5522 29.4389 64.4064 558407.7313 6.1972 6.1620 PRESSURE: 2062000 -86.448 153.364 -199.898 153.364 -288.94 -38.5669 -199.9 -38.5678 -246.297 GPRESSURE: 2062000 -58.5453 184.527 -244.383 125.014 -222.655 -47.9988 -269.953 -25.9793 -244.258 PRESSAVG: 2062000 17.9715 17.0079 -19.8649 17.0078 -29.0012 7.18882 -19.8649 7.18882 36.1593 GPRESSAVG: 2062000 17.7844 17.9402 -16.9385 17.4125 -28.6166 7.57401 -22.6413 5.72629 36.841 TIMING: 2062000 CPU: 6216.68, 0.00298926/step Wall: 6216.68, 0.00298926/step, 2.43956 hours remaining, 210.238281 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: 2062000 779.5620 2121.7550 1889.1444 121.0266 -205618.4682 17543.2907 0.0000 0.0000 34231.4124 -148932.2771 298.9514 -183163.6895 -148836.1490 299.5260 -207.2282 -175.1528 559288.6983 8.3765 8.6696 PRESSURE: 2062200 102.184 -27.5334 30.5256 -27.5333 -16.1134 -239.016 30.5257 -239.016 95.688 GPRESSURE: 2062200 116.208 97.101 -22.6896 -114.769 12.4689 -228.069 24.5539 -269.693 145.971 PRESSAVG: 2062200 -2.29547 -9.18167 5.41176 -9.18174 -8.31714 -13.5157 5.4117 -13.5157 1.15652 GPRESSAVG: 2062200 -1.00847 -10.5542 3.68451 -8.84325 -8.95442 -13.182 7.26642 -11.6643 1.11691 TIMING: 2062200 CPU: 6217.28, 0.00302729/step Wall: 6217.28, 0.00302729/step, 2.47043 hours remaining, 210.246094 MB of memory in use. ENERGY: 2062200 722.8173 2099.8266 1916.7167 102.7574 -205540.0390 17657.2009 0.0000 0.0000 34361.0354 -148679.6847 300.0835 -183040.7201 -148587.4220 299.7084 60.5863 91.5493 558287.8194 -3.1520 -2.9487 PRESSURE: 2062400 161.312 -18.039 0.0619209 -18.0397 134.504 49.7069 0.0625293 49.7055 136.325 GPRESSURE: 2062400 203.086 26.3001 -35.4653 -83.8272 139.636 103.638 -56.0457 -19.0031 176.483 PRESSAVG: 2062400 -15.4257 2.72863 14.1131 2.72868 18.8513 -3.92423 14.113 -3.9242 12.6014 GPRESSAVG: 2062400 -15.3066 5.28737 14.7149 2.03432 18.5695 -3.55897 14.6709 -5.25941 12.674 TIMING: 2062400 CPU: 6217.88, 0.00300226/step Wall: 6217.88, 0.00300226/step, 2.44985 hours remaining, 210.246094 MB of memory in use. ENERGY: 2062400 738.6839 2107.6947 1946.4382 117.0163 -205988.5260 17850.4469 0.0000 0.0000 34541.9213 -148686.3247 301.6632 -183228.2460 -148588.2267 300.4803 144.0473 173.0681 556784.9507 5.3423 5.3123 PRESSURE: 2062600 -253.541 -40.2965 -111.32 -40.2972 17.104 54.5304 -111.32 54.5309 -216.357 GPRESSURE: 2062600 -152.054 -8.05109 -88.6388 49.9602 54.5454 31.062 -155.597 106.922 -246.708 PRESSAVG: 2062600 -74.7057 38.1303 -6.22613 38.1304 12.2437 21.0669 -6.22613 21.0669 43.6463 GPRESSAVG: 2062600 -76.1302 36.9916 -6.52318 39.5813 12.4466 19.1628 -6.35018 22.5099 44.6461 TIMING: 2062600 CPU: 6218.48, 0.00299126/step Wall: 6218.48, 0.00299126/step, 2.4407 hours remaining, 210.246094 MB of memory in use. ENERGY: 2062600 743.6540 2143.2986 1904.7744 103.0445 -205605.6896 17452.1753 0.0000 0.0000 34458.3857 -148800.3571 300.9337 -183258.7429 -148701.3719 300.5810 -150.9311 -114.7391 557394.5087 -6.2719 -6.3458 PRESSURE: 2062800 22.4371 -53.0951 19.2473 -53.0944 -183.352 -180.475 19.2483 -180.476 -144.114 GPRESSURE: 2062800 82.7522 4.13695 -70.8433 -107.05 -168.212 -172.968 -3.04339 -153.479 -131.299 PRESSAVG: 2062800 21.5861 0.925644 -45.6961 0.925576 -9.97057 18.8014 -45.6961 18.8015 -38.1192 GPRESSAVG: 2062800 21.6362 1.23905 -46.3746 0.427919 -8.95216 19.0558 -45.6647 18.4296 -38.7344 TIMING: 2062800 CPU: 6219.08, 0.00301096/step Wall: 6219.08, 0.00301096/step, 2.45661 hours remaining, 210.246094 MB of memory in use. ENERGY: 2062800 764.2062 2112.6118 1937.1775 117.2736 -206069.7131 17711.3159 0.0000 0.0000 34563.9027 -148863.2253 301.8552 -183427.1279 -148767.5784 299.8977 -101.6766 -72.2529 556996.2912 -8.8346 -8.6835 PRESSURE: 2063000 124.543 13.0985 38.0062 13.0987 -112.932 -82.4614 38.006 -82.4596 -31.2927 GPRESSURE: 2063000 150.297 36.4643 106.618 58.9948 -89.9879 -41.6213 -13.28 -56.3236 20.1862 PRESSAVG: 2063000 16.8456 -37.0713 -38.9749 -37.0713 -1.86901 -31.9421 -38.9749 -31.9421 -17.6487 GPRESSAVG: 2063000 16.9379 -38.0785 -39.1297 -34.7747 -2.28622 -31.376 -39.1581 -31.572 -17.2517 TIMING: 2063000 CPU: 6219.68, 0.00298077/step Wall: 6219.68, 0.00298077/step, 2.43181 hours remaining, 210.246094 MB of memory in use. ENERGY: 2063000 791.8849 2051.8329 1917.0899 119.4553 -205867.5040 17804.3115 0.0000 0.0000 34279.2970 -148903.6325 299.3696 -183182.9295 -148811.9105 300.4605 -6.5607 26.8317 556714.0861 -0.8907 -0.8666 PRESSURE: 2063200 -58.6518 169.174 -151.107 169.174 -24.1585 -47.5909 -151.106 -47.5891 -261.315 GPRESSURE: 2063200 -49.325 178.131 -103.293 218.379 -21.1612 -84.134 -179.646 -27.8359 -179.397 PRESSAVG: 2063200 -51.5337 51.3393 -47.7666 51.3392 96.8454 16.0189 -47.7665 16.0189 -30.7398 GPRESSAVG: 2063200 -51.618 50.5777 -47.0815 49.5245 97.5708 14.4983 -48.0065 16.9371 -31.0923 TIMING: 2063200 CPU: 6220.27, 0.00298081/step Wall: 6220.27, 0.00298081/step, 2.43168 hours remaining, 210.246094 MB of memory in use. ENERGY: 2063200 751.1586 2075.6088 1942.0898 96.9051 -206050.4950 17673.0144 0.0000 0.0000 34451.8818 -149059.8365 300.8769 -183511.7183 -148956.0867 299.9183 -114.7086 -83.2944 558106.2529 4.8573 4.9535 PRESSURE: 2063400 -493.907 152.481 159.717 152.482 -322.191 -125.932 159.716 -125.933 -17.4196 GPRESSURE: 2063400 -438.045 95.0065 126.559 185.644 -320.228 -172.552 152.707 -86.7559 28.4905 PRESSAVG: 2063400 -3.42016 44.8866 16.3049 44.8866 18.86 -8.48937 16.3049 -8.48925 5.04671 GPRESSAVG: 2063400 -2.50368 45.5229 15.4496 44.5733 18.3752 -8.74136 16.2019 -9.02852 4.91815 TIMING: 2063400 CPU: 6220.87, 0.00300006/step Wall: 6220.87, 0.00300006/step, 2.44722 hours remaining, 210.246094 MB of memory in use. ENERGY: 2063400 746.8313 2015.9678 1934.5848 114.5615 -205709.5073 17446.4629 0.0000 0.0000 34296.6980 -149154.4009 299.5216 -183451.0989 -149050.3471 300.3343 -277.8392 -243.2608 558354.0964 6.8288 6.9299 PRESSURE: 2063600 17.7967 -114.113 29.1914 -114.113 -46.6334 -15.1098 29.1921 -15.1076 131.904 GPRESSURE: 2063600 -14.036 -111.199 113.622 -128.081 -13.9745 39.4989 -73.3861 -114.423 227.456 PRESSAVG: 2063600 -93.6243 24.427 21.3367 24.4269 12.3838 8.47838 21.3367 8.4784 80.9239 GPRESSAVG: 2063600 -92.8998 24.5482 21.7779 23.5862 11.9763 8.89537 20.5798 6.27441 80.8806 TIMING: 2063600 CPU: 6221.48, 0.0030115/step Wall: 6221.48, 0.0030115/step, 2.45638 hours remaining, 210.246094 MB of memory in use. ENERGY: 2063600 724.1115 2071.5265 1946.6561 102.8387 -206120.6691 18019.5898 0.0000 0.0000 34233.2827 -149022.6638 298.9678 -183255.9464 -148931.0969 299.7752 34.3559 66.4817 559418.0073 -0.1056 -0.0143 PRESSURE: 2063800 -28.4181 -77.3567 17.3605 -77.3571 32.4282 -3.02734 17.3607 -3.02567 -16.2628 GPRESSURE: 2063800 -56.225 -186.936 -2.9338 7.13887 94.2294 89.8827 -8.99472 -34.5804 49.5604 PRESSAVG: 2063800 39.1771 -26.9726 40.6889 -26.9726 -20.0145 19.6919 40.6889 19.6918 -37.0111 GPRESSAVG: 2063800 38.2066 -26.9882 39.621 -25.5722 -19.6653 20.8326 40.5315 21.8648 -36.4257 TIMING: 2063800 CPU: 6222.07, 0.00297638/step Wall: 6222.07, 0.00297638/step, 2.42757 hours remaining, 210.246094 MB of memory in use. ENERGY: 2063800 723.4213 2092.5744 1940.5398 111.5072 -205978.0952 17790.3350 0.0000 0.0000 34339.8064 -148979.9110 299.8981 -183319.7174 -148875.8898 300.0385 -4.0842 29.1883 557948.7953 -5.9495 -5.9615 PRESSURE: 2064000 27.3489 41.2504 -70.2561 41.2488 140.147 -88.1375 -70.2572 -88.1375 151.751 GPRESSURE: 2064000 85.1786 -51.8197 -13.9326 48.2845 186.961 -108.866 -64.911 -124.886 145.347 PRESSAVG: 2064000 25.7636 6.37366 5.7041 6.37372 -24.6223 1.12884 5.70403 1.12869 12.1635 GPRESSAVG: 2064000 25.738 6.30576 5.32012 4.06133 -23.3188 1.07633 6.36473 0.75208 10.6316 TIMING: 2064000 CPU: 6222.67, 0.00298454/step Wall: 6222.67, 0.00298454/step, 2.43406 hours remaining, 210.246094 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: 2064000 685.6898 2059.6714 1933.0153 109.1351 -206045.3727 17859.8720 0.0000 0.0000 34396.2742 -149001.7150 300.3912 -183397.9893 -148899.7099 300.1418 106.4157 139.1622 557396.0746 4.4350 4.3503 PRESSURE: 2064200 49.812 103.774 34.0781 103.773 -106.54 -61.7051 34.0778 -61.7051 -67.9669 GPRESSURE: 2064200 71.0109 72.2938 51.169 158.841 -48.4583 -146.288 -38.6527 -2.97321 -40.3272 PRESSAVG: 2064200 70.5468 -23.8274 -10.1093 -23.8275 -56.4916 11.3692 -10.1092 11.3693 -28.463 GPRESSAVG: 2064200 70.2826 -24.7863 -6.97483 -21.3211 -57.3607 9.70919 -8.96786 11.0304 -27.1694 TIMING: 2064200 CPU: 6223.26, 0.00296918/step Wall: 6223.26, 0.00296918/step, 2.42137 hours remaining, 210.246094 MB of memory in use. ENERGY: 2064200 703.7858 2109.1659 1945.8935 117.6582 -205982.9293 17899.7135 0.0000 0.0000 34067.4722 -149139.2402 297.5197 -183206.7124 -149048.7006 299.1561 -41.5648 -5.9249 558591.7132 -4.8026 -4.7492 LDB: ============= START OF LOAD BALANCING ============== 6226.78 LDB: ============== END OF LOAD BALANCING =============== 6226.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6226.78 LDB: ============= START OF LOAD BALANCING ============== 6227.08 LDB: Largest compute 4772 load 0.027631 is 23.4% of average load 0.118049 LDB: Average compute 0.001728 is 1.5% of average load 0.118049 LDB: TIME 6227.08 LOAD: AVG 0.118049 MAX 0.206177 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.668 MB LDB: TIME 6227.08 LOAD: AVG 0.118049 MAX 0.206177 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.871 MB LDB: TIME 6227.08 LOAD: AVG 0.118049 MAX 0.206177 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.871 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6227.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6227.09 PRESSURE: 2064400 73.2392 95.0981 32.0923 95.0959 99.5146 -31.2875 32.0912 -31.288 204.032 GPRESSURE: 2064400 118.737 59.3252 -14.536 111.971 159.806 -4.24649 25.8464 12.8289 199.865 PRESSAVG: 2064400 26.3892 -3.4537 47.5611 -3.45369 -81.4577 17.4211 47.5611 17.4211 24.8084 GPRESSAVG: 2064400 25.8939 -4.1415 44.5595 -3.57118 -81.5633 17.2684 46.91 18.2906 25.0448 TIMING: 2064400 CPU: 6223.87, 0.00303627/step Wall: 6223.87, 0.00303627/step, 2.47591 hours remaining, 209.691406 MB of memory in use. ENERGY: 2064400 722.2617 2056.5827 1952.3276 119.3560 -206319.7735 17957.0943 0.0000 0.0000 34302.3668 -149209.7844 299.5711 -183512.1512 -149102.4948 299.0517 125.5953 159.4695 556420.3417 -10.0867 -10.2082 PRESSURE: 2064600 18.5139 -29.489 -26.0318 -29.4879 48.2227 170.826 -26.0318 170.826 243.585 GPRESSURE: 2064600 86.2334 -40.6264 -71.7429 -26.9037 43.1396 72.2223 -14.6494 192.828 270.855 PRESSAVG: 2064600 -3.58555 -0.750432 -3.90243 -0.750388 51.5717 6.64337 -3.90247 6.64336 -8.77891 GPRESSAVG: 2064600 -2.38451 -2.08322 -3.50401 -0.452474 51.9841 7.71768 -5.39511 6.99207 -10.3369 TIMING: 2064600 CPU: 6224.47, 0.00299655/step Wall: 6224.47, 0.00299655/step, 2.44336 hours remaining, 209.691406 MB of memory in use. ENERGY: 2064600 764.9677 2105.5962 1925.7655 115.9493 -206217.0601 18018.8815 0.0000 0.0000 34180.7413 -149105.1587 298.5089 -183285.9000 -149008.8034 299.3154 103.4407 133.4093 558036.7280 13.0691 13.0876 PRESSURE: 2064800 502.589 -51.0141 133.562 -51.0134 216.716 -35.743 133.563 -35.7432 110.892 GPRESSURE: 2064800 541.162 -36.3035 107.04 -85.6352 240.87 -6.76631 182.612 -79.6275 141 PRESSAVG: 2064800 -12.4024 -10.0001 4.31192 -10.0002 -39.1607 -20.2846 4.31186 -20.2847 23.2224 GPRESSAVG: 2064800 -13.3932 -9.93817 4.657 -9.64722 -39.8263 -19.5375 5.94967 -21.946 24.7761 TIMING: 2064800 CPU: 6225.06, 0.00297425/step Wall: 6225.06, 0.00297425/step, 2.425 hours remaining, 209.691406 MB of memory in use. ENERGY: 2064800 708.8064 2048.6745 1960.2314 115.0628 -206289.3572 18034.1672 0.0000 0.0000 34281.3998 -149141.0151 299.3880 -183422.4148 -149050.8606 299.3056 276.7324 307.6776 555383.3664 -9.4469 -9.4811 PRESSURE: 2065000 414.399 -226.023 96.6241 -226.022 28.5952 -42.3779 96.6238 -42.3777 117.087 GPRESSURE: 2065000 419.586 -128.72 160.262 -151.305 116.886 -44.6592 56.8593 -125.14 136.695 PRESSAVG: 2065000 38.6328 -4.0768 48.892 -4.07681 -25.6809 -12.4243 48.892 -12.4243 -2.51602 GPRESSAVG: 2065000 39.2894 -1.13848 48.1734 -5.24502 -25.4163 -13.3008 46.4088 -12.7883 -3.12717 TIMING: 2065000 CPU: 6225.66, 0.00296735/step Wall: 6225.66, 0.00296735/step, 2.41921 hours remaining, 209.691406 MB of memory in use. ENERGY: 2065000 755.5854 2086.6549 1904.4163 109.3185 -206504.6675 18148.8967 0.0000 0.0000 34178.4871 -149321.3086 298.4892 -183499.7957 -149230.6047 299.7252 186.6937 224.3890 555279.8472 3.4786 3.5820 PRESSURE: 2065200 -21.8637 68.0131 17.4512 68.013 198.807 5.38863 17.4518 5.38666 76.0905 GPRESSURE: 2065200 14.9007 53.6217 -3.95577 52.6637 203.684 82.2573 8.82999 -10.0488 139.065 PRESSAVG: 2065200 -18.5476 14.2022 84.8867 14.2023 36.6604 15.8042 84.8868 15.8042 -20.7328 GPRESSAVG: 2065200 -19.599 12.6603 85.3513 15.2374 37.7084 15.2046 83.7859 17.3702 -21.0288 TIMING: 2065200 CPU: 6226.26, 0.00299097/step Wall: 6226.26, 0.00299097/step, 2.43831 hours remaining, 209.691406 MB of memory in use. ENERGY: 2065200 781.3256 2053.8717 1908.6360 106.2006 -206659.8383 18060.3952 0.0000 0.0000 34336.4585 -149412.9507 299.8688 -183749.4092 -149313.4237 298.8272 84.3447 119.2167 555818.0195 -0.8733 -0.9732 PRESSURE: 2065400 -174.319 -92.8075 81.7961 -92.8079 -0.154773 -44.6964 81.7951 -44.6967 -170.17 GPRESSURE: 2065400 -152.666 -40.0991 80.0785 -158.166 10.8675 -73.0315 46.7817 -47.9791 -103.696 PRESSAVG: 2065400 -25.3917 -14.9527 63.5331 -14.9528 18.6468 -23.3518 63.533 -23.3518 -7.72481 GPRESSAVG: 2065400 -23.9615 -14.5219 64.0138 -13.6554 16.7167 -23.4151 66.2416 -23.0113 -7.29049 TIMING: 2065400 CPU: 6226.86, 0.00300011/step Wall: 6226.86, 0.00300011/step, 2.44559 hours remaining, 209.691406 MB of memory in use. ENERGY: 2065400 736.5946 2139.5554 1904.6980 119.7881 -205948.8054 17669.5514 0.0000 0.0000 34080.0290 -149298.5889 297.6294 -183378.6179 -149206.1635 298.7880 -114.8813 -81.8316 557625.6582 -4.8232 -4.8451 PRESSURE: 2065600 -168.015 35.6848 66.7351 35.6863 -91.431 231.279 66.7347 231.278 -84.4757 GPRESSURE: 2065600 -82.8332 -2.44572 72.5693 29.3588 -58.2131 220.502 106.573 232.635 -107.346 PRESSAVG: 2065600 -19.6292 21.2626 20.1106 21.2626 21.8098 42.7789 20.1107 42.7789 48.7028 GPRESSAVG: 2065600 -19.8338 21.2729 18.1719 17.9301 21.7479 42.7073 20.4359 40.5745 49.189 TIMING: 2065600 CPU: 6227.45, 0.00297654/step Wall: 6227.45, 0.00297654/step, 2.42621 hours remaining, 209.691406 MB of memory in use. ENERGY: 2065600 740.2194 2034.8901 1933.4119 108.5745 -206160.3999 17670.7070 0.0000 0.0000 34213.9859 -149458.6111 298.7992 -183672.5971 -149363.7015 298.4427 -114.6404 -82.7974 557739.4479 16.9612 17.0343 PRESSURE: 2065800 -90.0363 114.97 91.0229 114.97 -467.549 68.4966 91.0227 68.4967 -379.563 GPRESSURE: 2065800 -40.0818 64.8392 127.931 74.5935 -401.46 142.874 -23.5277 -7.55563 -384.189 PRESSAVG: 2065800 -49.7743 -9.95268 34.514 -9.9527 -13.2283 35.1505 34.5139 35.1506 74.1503 GPRESSAVG: 2065800 -49.8981 -9.62694 35.8917 -9.37042 -12.5545 35.2316 34.5316 37.5213 73.8399 TIMING: 2065800 CPU: 6228.05, 0.00299579/step Wall: 6228.05, 0.00299579/step, 2.44173 hours remaining, 209.691406 MB of memory in use. ENERGY: 2065800 754.3481 2067.8336 1927.9410 118.2449 -205639.4309 17336.0463 0.0000 0.0000 34117.0767 -149317.9403 297.9529 -183435.0171 -149222.5117 298.7707 -312.3828 -275.2436 557405.6542 3.7159 3.7958 PRESSURE: 2066000 38.4196 35.9547 -47.3066 35.9535 135.47 -107.76 -47.3051 -107.758 -3.92054 GPRESSURE: 2066000 79.1248 90.6011 -75.7282 -51.5651 140.054 -155.821 -2.28854 -72.3682 35.4665 PRESSAVG: 2066000 23.4022 38.6926 -13.8953 38.6926 -17.0647 8.46887 -13.8953 8.46873 26.1698 GPRESSAVG: 2066000 23.2173 39.5605 -12.6233 38.3102 -16.4844 9.02556 -15.2385 6.37668 25.2893 TIMING: 2066000 CPU: 6228.64, 0.00295758/step Wall: 6228.64, 0.00295758/step, 2.41043 hours remaining, 209.691406 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: 2066000 720.3599 2127.2909 1883.5025 118.0524 -206120.2506 17815.7639 0.0000 0.0000 34175.9352 -149279.3459 298.4669 -183455.2810 -149181.2653 298.5605 56.6564 84.8816 556935.3522 10.8357 10.6741 PRESSURE: 2066200 278.688 25.2226 -96.2003 25.2228 197.624 74.7961 -96.2005 74.7968 -113.155 GPRESSURE: 2066200 279.715 55.4195 -116.912 85.2451 196.287 10.4877 -100.693 136.999 -20.4765 PRESSAVG: 2066200 50.4159 -5.9058 -27.3107 -5.90574 11.0761 4.55348 -27.3107 4.55342 -75.1575 GPRESSAVG: 2066200 49.7161 -8.25577 -28.4882 -4.34635 11.214 3.98067 -28.4254 4.07299 -74.3131 TIMING: 2066200 CPU: 6229.24, 0.0029662/step Wall: 6229.24, 0.0029662/step, 2.41729 hours remaining, 209.781250 MB of memory in use. ENERGY: 2066200 762.8022 2094.5819 1920.8984 109.9831 -206536.7515 18234.1219 0.0000 0.0000 34136.3500 -149278.0140 298.1212 -183414.3641 -149183.3798 298.4820 121.0520 151.8419 556829.1176 -4.5552 -4.4610 PRESSURE: 2066400 -110.041 162.548 80.3201 162.547 -194.575 114.115 80.3193 114.116 -433.366 GPRESSURE: 2066400 -41.2334 81.1004 107.399 148.806 -203.09 199.151 122.921 106.582 -396.856 PRESSAVG: 2066400 70.5846 -2.97479 -69.4845 -2.97484 4.41229 54.0412 -69.4845 54.0412 -93.7932 GPRESSAVG: 2066400 71.68 -0.606841 -68.9159 -3.60143 4.30992 53.8444 -67.8808 55.6146 -94.5333 TIMING: 2066400 CPU: 6229.83, 0.00296742/step Wall: 6229.83, 0.00296742/step, 2.41811 hours remaining, 209.781250 MB of memory in use. ENERGY: 2066400 780.0712 2123.2630 1957.1702 102.7762 -205570.5029 17376.3762 0.0000 0.0000 34239.4062 -148991.4400 299.0213 -183230.8461 -148891.2396 299.8066 -245.9941 -213.7266 558477.7448 -6.2654 -6.1811 PRESSURE: 2066600 -72.9386 67.6913 -35.6733 67.6908 -146.496 -136.843 -35.6728 -136.843 8.88811 GPRESSURE: 2066600 -8.94439 79.096 -84.3447 -11.215 -101.315 -64.9789 5.94406 -103.436 6.52953 PRESSAVG: 2066600 33.2317 54.9083 -3.5295 54.9083 108.599 -12.7129 -3.52955 -12.713 -136.561 GPRESSAVG: 2066600 32.9802 54.3686 -3.81902 54.305 108.747 -11.5094 -4.74808 -14.4019 -136.202 TIMING: 2066600 CPU: 6230.43, 0.00298909/step Wall: 6230.43, 0.00298909/step, 2.43561 hours remaining, 209.781250 MB of memory in use. ENERGY: 2066600 768.7144 2116.2809 1935.0219 126.7991 -205943.3698 17685.0509 0.0000 0.0000 34268.6884 -149042.8143 299.2770 -183311.5027 -148950.4626 300.6448 -70.1823 -34.5766 557388.2308 1.7564 1.8418 PRESSURE: 2066800 -49.3362 29.836 104.624 29.8355 -60.3393 -109.522 104.625 -109.522 63.737 GPRESSURE: 2066800 -70.7751 -45.3007 112.056 105.692 6.65752 -54.9021 73.0072 -117.452 114.629 PRESSAVG: 2066800 16.2324 27.9199 -10.1279 27.9199 79.589 -59.9431 -10.1279 -59.9431 -57.4266 GPRESSAVG: 2066800 15.6748 30.255 -9.61584 26.7461 80.3576 -58.2774 -9.98388 -60.7686 -56.7311 TIMING: 2066800 CPU: 6231.02, 0.00298181/step Wall: 6231.02, 0.0029818/step, 2.42951 hours remaining, 209.781250 MB of memory in use. ENERGY: 2066800 786.9370 2109.4457 1914.8613 110.0448 -206331.8060 17914.8929 0.0000 0.0000 34364.7355 -149130.8888 300.1158 -183495.6243 -149037.8024 299.7977 -15.3128 16.8370 556445.9855 12.7983 13.1004 PRESSURE: 2067000 -123.552 121.797 -71.8929 121.796 -392.595 -41.1007 -71.8922 -41.0996 -136.089 GPRESSURE: 2067000 -54.1211 145.085 -35.5622 79.5916 -377.968 -13.9827 -78.7873 5.39219 -125.891 PRESSAVG: 2067000 44.0608 -5.30152 -90.5805 -5.3016 -11.6604 -50.8572 -90.5804 -50.8572 -34.8099 GPRESSAVG: 2067000 44.4803 -7.4343 -89.9695 -3.39804 -12.3593 -53.2285 -90.4189 -49.0439 -34.3787 TIMING: 2067000 CPU: 6231.62, 0.00298953/step Wall: 6231.62, 0.00298953/step, 2.43564 hours remaining, 209.781250 MB of memory in use. ENERGY: 2067000 797.7048 2135.0936 1939.3748 104.3452 -206197.0667 17749.9648 0.0000 0.0000 34126.8277 -149343.7557 298.0381 -183470.5834 -149240.2017 299.4861 -217.4118 -185.9933 557995.1874 -0.8032 -0.7526 PRESSURE: 2067200 -54.053 -41.7414 -51.6542 -41.7432 207.229 -172.151 -51.6559 -172.152 -15.6912 GPRESSURE: 2067200 -4.89639 -111.051 -12.6439 68.8793 224.089 -101.453 -102.483 -233.63 26.5377 PRESSAVG: 2067200 28.1487 -34.2431 -15.4853 -34.2431 22.459 29.7969 -15.4854 29.797 -12.7156 GPRESSAVG: 2067200 27.045 -33.1345 -17.2656 -35.3418 23.4292 30.941 -13.4916 28.5892 -12.3854 TIMING: 2067200 CPU: 6232.21, 0.00295288/step Wall: 6232.21, 0.00295288/step, 2.40561 hours remaining, 209.781250 MB of memory in use. ENERGY: 2067200 748.0182 2108.6436 1931.9844 109.9174 -206254.6339 17882.0426 0.0000 0.0000 34237.3021 -149236.7256 299.0029 -183474.0277 -149145.9600 298.9213 45.8281 81.9103 557427.8528 12.6307 12.6963 PRESSURE: 2067400 158.421 210.749 68.1248 210.749 -96.3352 -87.538 68.1252 -87.5388 19.1979 GPRESSURE: 2067400 171.452 128.375 39.5531 196.607 -82.0887 -86.9148 13.5008 -76.637 87.5029 PRESSAVG: 2067400 -32.3047 6.62326 9.80933 6.62329 -39.6205 -0.946001 9.80931 -0.946015 55.8324 GPRESSAVG: 2067400 -32.1687 6.84079 13.4003 7.27611 -40.4023 -3.56708 6.55349 1.64075 56.6491 TIMING: 2067400 CPU: 6232.8, 0.00296859/step Wall: 6232.8, 0.00296859/step, 2.41825 hours remaining, 209.781250 MB of memory in use. ENERGY: 2067400 756.5894 2120.6990 1949.1028 106.0236 -206496.1592 17847.0283 0.0000 0.0000 34506.8532 -149209.8629 301.3569 -183716.7161 -149113.5490 299.7120 27.0945 58.9553 556967.2384 -5.3643 -5.3073 PRESSURE: 2067600 24.918 -173.63 -6.67657 -173.63 -95.2716 -20.2406 -6.67717 -20.2395 -336.009 GPRESSURE: 2067600 47.4077 -169.965 -10.3642 -142.8 -75.6539 -49.9873 -46.6836 24.9344 -272.324 PRESSAVG: 2067600 11.8934 -6.22789 -20.682 -6.22788 12.5522 39.6774 -20.682 39.6774 16.4529 GPRESSAVG: 2067600 12.0489 -7.22019 -23.1818 -4.96087 13.1829 40.6871 -19.4207 38.375 15.866 TIMING: 2067600 CPU: 6233.4, 0.00299198/step Wall: 6233.4, 0.00299198/step, 2.43713 hours remaining, 209.781250 MB of memory in use. ENERGY: 2067600 775.9907 2105.1380 1922.0145 120.8035 -205979.7148 17601.6050 0.0000 0.0000 34338.5449 -149115.6182 299.8871 -183454.1631 -149015.2758 299.9395 -135.4541 -100.1900 559320.3473 13.6328 13.6993 PRESSURE: 2067800 90.9084 11.0435 189.745 11.0424 161.55 -119.776 189.744 -119.776 -67.8311 GPRESSURE: 2067800 156.463 32.3084 198.374 -1.00073 154.683 -63.6212 138.776 -173.672 -23.3723 PRESSAVG: 2067800 -3.36909 37.9503 64.0655 37.9504 -19.7985 -43.7493 64.0655 -43.7492 -28.2731 GPRESSAVG: 2067800 -3.43211 39.1404 64.3297 37.4392 -19.7509 -43.4022 65.0028 -44.3515 -28.2798 TIMING: 2067800 CPU: 6234, 0.00297548/step Wall: 6234, 0.00297548/step, 2.42352 hours remaining, 209.781250 MB of memory in use. ENERGY: 2067800 762.4772 2089.9797 1941.5965 132.6917 -206559.3559 18115.0408 0.0000 0.0000 34358.7113 -149158.8587 300.0632 -183517.5700 -149066.8832 299.9737 61.5424 95.9246 558995.2272 -17.1469 -17.1543 PRESSURE: 2068000 -124.584 -85.1289 -24.829 -85.1296 186.746 -75.3908 -24.8298 -75.3907 -85.2929 GPRESSURE: 2068000 -79.1875 -41.7574 -52.9795 -88.96 233.65 -73.9882 19.6313 -95.5213 -86.0842 PRESSAVG: 2068000 -13.8475 -22.196 25.9476 -22.196 -27.7945 28.1328 25.9476 28.1328 21.6342 GPRESSAVG: 2068000 -13.3215 -23.192 24.0456 -21.122 -27.9 28.5647 27.6348 28.6698 21.7594 TIMING: 2068000 CPU: 6234.59, 0.00297314/step Wall: 6234.59, 0.00297314/step, 2.42145 hours remaining, 209.781250 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: 2068000 704.0659 2059.3460 1926.8358 109.2640 -206153.2945 17805.4280 0.0000 0.0000 34428.2547 -149120.1000 300.6705 -183548.3547 -149014.1904 299.3999 -7.7102 22.7927 559501.0540 -6.6693 -6.4874 PRESSURE: 2068200 -339.217 -4.65526 -11.5609 -4.65478 -57.4027 88.5741 -11.56 88.5738 21.9866 GPRESSURE: 2068200 -287.395 100.651 11.8324 -67.0778 -26.5649 7.4449 60.6693 117.141 29.6914 PRESSAVG: 2068200 68.8427 -0.529368 -38.5951 -0.529368 11.7603 40.2591 -38.595 40.259 2.18219 GPRESSAVG: 2068200 68.4441 1.94322 -38.698 -3.75917 12.7593 40.6852 -39.1385 40.8014 2.01198 TIMING: 2068200 CPU: 6235.19, 0.002987/step Wall: 6235.19, 0.002987/step, 2.43258 hours remaining, 209.781250 MB of memory in use. ENERGY: 2068200 736.6721 2056.5671 1960.6281 114.6698 -205839.1792 17617.6352 0.0000 0.0000 34225.9285 -149127.0783 298.9035 -183353.0068 -149031.0823 299.2998 -124.8776 -94.7562 559766.2037 27.5951 27.7385 LDB: ============= START OF LOAD BALANCING ============== 6238.71 LDB: ============== END OF LOAD BALANCING =============== 6238.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6238.71 LDB: ============= START OF LOAD BALANCING ============== 6239.01 LDB: Largest compute 4772 load 0.028022 is 23.8% of average load 0.117973 LDB: Average compute 0.001730 is 1.5% of average load 0.117973 LDB: TIME 6239.01 LOAD: AVG 0.117973 MAX 0.206178 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 212.414 MB LDB: TIME 6239.01 LOAD: AVG 0.117973 MAX 0.206178 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 212.48 MB LDB: TIME 6239.01 LOAD: AVG 0.117973 MAX 0.206178 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 212.48 MB LDB: ============== END OF LOAD BALANCING =============== 6239.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6239.02 PRESSURE: 2068400 -115.065 59.0718 -223.789 59.0717 -160.563 -85.5387 -223.79 -85.5384 -154.759 GPRESSURE: 2068400 -115.027 89.9518 -196.603 65.2895 -110.574 -88.1871 -248.859 -63.7036 -120.814 PRESSAVG: 2068400 -16.1589 42.1648 -20.0989 42.1649 21.4324 -14.3621 -20.0988 -14.3621 27.4389 GPRESSAVG: 2068400 -17.1299 42.3479 -18.6415 41.5484 20.8033 -15.1827 -21.2274 -14.1567 28.9116 TIMING: 2068400 CPU: 6235.8, 0.00307082/step Wall: 6235.8, 0.00307082/step, 2.50067 hours remaining, 207.175781 MB of memory in use. ENERGY: 2068400 752.7220 2102.7301 1928.4883 106.5050 -205871.1823 17556.1951 0.0000 0.0000 34091.5852 -149332.9566 297.7303 -183424.5418 -149236.5948 298.8369 -143.4625 -115.4718 558487.4591 10.9041 10.8617 PRESSURE: 2068600 -49.0619 -24.9578 -78.3601 -24.9591 -94.9489 169.433 -78.3607 169.433 -254.595 GPRESSURE: 2068600 -47.0875 -93.7211 -70.8927 30.254 -36.5136 116.378 -43.0881 218.595 -216.464 PRESSAVG: 2068600 -0.250962 -12.1732 7.44 -12.1732 -22.9754 10.8353 7.44 10.8354 3.9676 GPRESSAVG: 2068600 0.667228 -14.5337 8.81658 -10.6004 -22.3898 10.7016 6.96319 10.6866 2.83166 TIMING: 2068600 CPU: 6236.4, 0.00298766/step Wall: 6236.4, 0.00298766/step, 2.43278 hours remaining, 207.175781 MB of memory in use. ENERGY: 2068600 807.3200 2064.9604 1931.7713 114.2398 -206218.8431 17803.7737 0.0000 0.0000 34179.5446 -149317.2334 298.4985 -183496.7780 -149220.2366 298.7034 -132.8687 -100.0216 556797.9692 -6.4196 -6.2970 PRESSURE: 2068800 408.149 -62.6532 -12.2994 -62.6543 -152.656 57.9743 -12.2989 57.9729 24.4089 GPRESSURE: 2068800 441.923 -137.182 -5.62629 -74.8212 -96.4362 14.9468 -43.231 66.1809 50.7931 PRESSAVG: 2068800 45.5554 -6.31073 -17.3103 -6.31072 -4.29215 15.53 -17.3104 15.5301 -43.9315 GPRESSAVG: 2068800 44.6355 -4.58529 -19.1576 -5.92504 -3.97875 17.1027 -14.9925 13.2362 -43.2507 TIMING: 2068800 CPU: 6236.99, 0.0029625/step Wall: 6236.99, 0.0029625/step, 2.41213 hours remaining, 207.242188 MB of memory in use. ENERGY: 2068800 738.8188 2126.9701 1931.9140 113.1760 -206608.4867 18095.8857 0.0000 0.0000 34223.6856 -149378.0364 298.8840 -183601.7220 -149283.9702 299.0009 93.3008 132.0931 557150.0475 -0.8894 -0.8646 PRESSURE: 2069000 -121.539 -36.6663 -139.341 -36.6668 -85.1756 -54.071 -139.341 -54.0697 -28.9325 GPRESSURE: 2069000 -108.42 -146.404 -135.753 -4.83139 -94.4888 -45.338 -104.046 -60.0631 51.9699 PRESSAVG: 2069000 100.06 -34.1555 3.25228 -34.1555 -1.09468 29.52 3.25233 29.52 -12.7008 GPRESSAVG: 2069000 100.766 -34.571 2.436 -34.6871 -1.69025 27.7162 3.38931 31.9221 -12.8318 TIMING: 2069000 CPU: 6237.59, 0.00299976/step Wall: 6237.59, 0.00299976/step, 2.44231 hours remaining, 207.242188 MB of memory in use. ENERGY: 2069000 749.4404 2159.4867 1929.8567 135.9829 -206029.7711 17645.6292 0.0000 0.0000 34158.8558 -149250.5195 298.3178 -183409.3753 -149152.2793 299.5041 -78.5489 -50.3131 557504.1460 28.7548 28.7479 PRESSURE: 2069200 -337.809 120.157 41.1584 120.158 28.9609 -109.93 41.1582 -109.932 -124.682 GPRESSURE: 2069200 -335.126 91.9256 69.2016 164.035 104.274 -139.702 50.2815 -98.3294 -95.082 PRESSAVG: 2069200 12.6825 -34.4531 60.5837 -34.4532 -5.48326 -25.5354 60.5838 -25.5355 -17.8264 GPRESSAVG: 2069200 12.8951 -33.9583 61.4638 -34.7766 -6.04978 -25.0036 58.5471 -27.8318 -17.7435 TIMING: 2069200 CPU: 6238.2, 0.00300729/step Wall: 6238.2, 0.00300729/step, 2.44827 hours remaining, 207.242188 MB of memory in use. ENERGY: 2069200 736.8367 2087.8860 1956.5814 108.8821 -205829.7401 17699.0006 0.0000 0.0000 34074.6801 -149165.8732 297.5827 -183240.5533 -149075.0010 299.0879 -144.5100 -108.6448 558842.6046 -3.5424 -3.6327 PRESSURE: 2069400 -150.34 29.7266 -278.907 29.7272 -54.3823 114.256 -278.907 114.255 -223.718 GPRESSURE: 2069400 -86.9992 78.4182 -310.617 -7.31038 -67.9576 39.0182 -230.495 101.746 -168.08 PRESSAVG: 2069400 36.3293 51.4823 -60.9404 51.4824 7.92617 -27.7265 -60.9404 -27.7266 -68.3754 GPRESSAVG: 2069400 36.2406 51.7061 -58.3844 51.0878 7.82919 -28.7558 -60.9903 -25.0934 -68.3775 TIMING: 2069400 CPU: 6238.79, 0.00297213/step Wall: 6238.79, 0.00297213/step, 2.41948 hours remaining, 207.242188 MB of memory in use. ENERGY: 2069400 773.3064 2123.1952 1910.4560 114.0706 -205850.7855 17603.3760 0.0000 0.0000 34227.4257 -149098.9557 298.9166 -183326.3814 -149006.0530 299.9506 -142.8135 -107.6790 558855.5419 -8.0400 -8.1026 PRESSURE: 2069600 -36.6061 96.7562 111.813 96.7562 -236.908 -18.9663 111.813 -18.9672 -61.2271 GPRESSURE: 2069600 36.9148 60.9563 127.576 37.1245 -198.481 -6.57483 85.1594 -120.163 -81.4958 PRESSAVG: 2069600 -29.4099 5.46357 5.01629 5.46363 29.7486 -34.0514 5.01626 -34.0514 26.8535 GPRESSAVG: 2069600 -29.2349 3.68629 2.89738 5.47209 28.5763 -33.2652 4.54018 -34.8127 27.7717 TIMING: 2069600 CPU: 6239.38, 0.00296655/step Wall: 6239.38, 0.00296655/step, 2.41477 hours remaining, 207.242188 MB of memory in use. ENERGY: 2069600 702.5109 2101.1186 1921.2424 103.7038 -205778.3382 17603.6123 0.0000 0.0000 34163.9667 -149182.1836 298.3624 -183346.1503 -149082.1255 299.8948 -111.5802 -81.0208 559118.4452 9.0641 9.0377 PRESSURE: 2069800 -120.912 1.59009 90.5276 1.59098 82.9158 33.8433 90.5273 33.8443 -57.7136 GPRESSURE: 2069800 -94.8436 81.2838 180.479 -45.0102 107.407 73.2142 -0.758859 62.0166 -20.1077 PRESSAVG: 2069800 -19.7922 55.3523 53.8156 55.3523 -31.8712 -3.84984 53.8156 -3.84977 34.7736 GPRESSAVG: 2069800 -20.8653 58.6037 54.325 53.7913 -30.3601 -4.21814 53.8604 -3.93699 34.5541 TIMING: 2069800 CPU: 6239.98, 0.00298067/step Wall: 6239.98, 0.00298067/step, 2.4261 hours remaining, 207.242188 MB of memory in use. ENERGY: 2069800 795.2620 2084.4272 1911.6586 116.5134 -206042.6260 17653.7272 0.0000 0.0000 34219.9766 -149261.0611 298.8516 -183481.0377 -149170.1168 298.7615 -31.9034 -2.5148 557732.7291 -5.6299 -5.5571 PRESSURE: 2070000 -158.286 -45.4029 121.842 -45.403 109.69 143.14 121.842 143.139 2.11951 GPRESSURE: 2070000 -166.711 -67.1403 132.67 -10.3718 160.068 37.6614 167.453 165.344 59.1131 PRESSAVG: 2070000 -21.4251 -30.9651 25.1086 -30.9651 15.1432 19.102 25.1085 19.102 17.6789 GPRESSAVG: 2070000 -20.5354 -32.4666 26.2526 -29.6153 13.7599 18.7093 23.8334 20.8157 18.054 TIMING: 2070000 CPU: 6240.58, 0.00297892/step Wall: 6240.58, 0.00297892/step, 2.42451 hours remaining, 207.242188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2070000 719.4328 2114.6298 1923.1849 118.4390 -206255.5765 17856.3039 0.0000 0.0000 34264.1100 -149259.4761 299.2370 -183523.5861 -149164.7505 299.3064 -15.4920 17.4902 559220.9654 3.7990 3.7595 PRESSURE: 2070200 -289.172 -2.78161 -110.505 -2.78175 -143.541 15.0039 -110.507 15.0047 -74.6349 GPRESSURE: 2070200 -275.966 -20.8277 -61.4122 24.9074 -119.995 50.4617 -86.9462 3.28884 -4.53072 PRESSAVG: 2070200 -7.67546 -18.8269 -3.28466 -18.827 -41.414 40.7813 -3.28471 40.7814 43.7979 GPRESSAVG: 2070200 -7.66587 -21.3286 -4.64155 -16.7891 -40.7771 43.3458 -1.86594 39.2386 43.1959 TIMING: 2070200 CPU: 6241.17, 0.0029719/step Wall: 6241.17, 0.0029719/step, 2.41863 hours remaining, 207.242188 MB of memory in use. ENERGY: 2070200 756.4265 2113.8428 1928.9591 113.8628 -206132.1059 17663.6341 0.0000 0.0000 34249.0302 -149306.3504 299.1053 -183555.3806 -149208.9291 299.6190 -169.1160 -133.4973 558409.2580 -1.7638 -1.7490 PRESSURE: 2070400 149.561 125.139 -20.3944 125.137 -66.4501 -135.774 -20.395 -135.775 77.3995 GPRESSURE: 2070400 180.659 121.766 -74.7053 158.392 20.0298 -158.844 -9.32782 -154.08 55.4793 PRESSAVG: 2070400 27.1718 -36.762 -61.6358 -36.7619 -51.6101 -3.37646 -61.6358 -3.37637 39.2689 GPRESSAVG: 2070400 27.3421 -34.15 -60.2589 -39.2126 -50.7668 -4.56889 -63.4657 -3.87944 38.5976 TIMING: 2070400 CPU: 6241.77, 0.00298513/step Wall: 6241.77, 0.00298513/step, 2.42923 hours remaining, 207.242188 MB of memory in use. ENERGY: 2070400 762.4839 2103.7853 1925.9307 118.5072 -206186.9647 17856.9848 0.0000 0.0000 34250.1690 -149169.1037 299.1152 -183419.2727 -149067.1178 298.7246 53.5034 85.3895 556922.0170 4.9435 5.0576 PRESSURE: 2070600 -56.9469 77.7467 99.8271 77.7461 -29.293 -105.318 99.8284 -105.318 35.733 GPRESSURE: 2070600 -79.0787 68.6221 137.731 78.548 -14.1925 -27.6195 67.6136 -99.8931 128.966 PRESSAVG: 2070600 -8.04011 -13.9085 -8.57148 -13.9085 -33.1656 -52.5781 -8.57137 -52.5782 44.502 GPRESSAVG: 2070600 -8.96857 -15.4059 -11.0174 -13.8235 -33.1765 -51.6398 -5.35983 -53.7252 45.0993 TIMING: 2070600 CPU: 6242.36, 0.00297048/step Wall: 6242.36, 0.00297048/step, 2.41714 hours remaining, 207.242188 MB of memory in use. ENERGY: 2070600 757.4951 2071.6587 1944.5787 109.8749 -206281.8058 17762.7222 0.0000 0.0000 34437.9832 -149197.4930 300.7555 -183635.4762 -149093.9244 299.8665 -16.8356 11.8982 557834.3705 1.0988 0.9847 PRESSURE: 2070800 198.267 216.696 -13.4822 216.695 96.9627 10.684 -13.4833 10.6837 253.341 GPRESSURE: 2070800 276.185 196.664 -30.7634 191.369 110.008 152.583 21.3113 -20.9346 252.378 PRESSAVG: 2070800 -79.3787 -14.9432 -18.9235 -14.9432 1.04364 -48.2269 -18.9234 -48.2268 47.8714 GPRESSAVG: 2070800 -79.2106 -15.6412 -19.5177 -13.8125 1.30049 -46.7851 -18.9157 -47.8466 47.1739 TIMING: 2070800 CPU: 6242.96, 0.00297948/step Wall: 6242.96, 0.00297948/step, 2.4243 hours remaining, 207.242188 MB of memory in use. ENERGY: 2070800 725.6202 2137.2408 1937.3384 108.7834 -206247.9157 17891.8176 0.0000 0.0000 34165.9319 -149281.1835 298.3796 -183447.1154 -149188.1083 299.7294 182.8571 212.8569 556816.1222 -10.1545 -10.2454 PRESSURE: 2071000 -92.2275 185.043 -45.3134 185.044 -316.37 -18.6829 -45.3136 -18.6829 -241.382 GPRESSURE: 2071000 -48.6372 195.967 -66.8706 167.476 -321.113 77.4753 -33.0341 -50.4956 -199.276 PRESSAVG: 2071000 -42.2011 6.73756 10.8138 6.73753 30.1607 -2.56938 10.8138 -2.56937 40.7192 GPRESSAVG: 2071000 -41.295 8.17035 12.4391 6.72389 29.8378 -4.85231 7.38282 -0.60439 40.3992 TIMING: 2071000 CPU: 6243.56, 0.00299177/step Wall: 6243.56, 0.00299177/step, 2.43414 hours remaining, 207.242188 MB of memory in use. ENERGY: 2071000 753.9165 2129.4268 1939.1405 122.5458 -206062.8908 17481.8712 0.0000 0.0000 34228.5797 -149407.4103 298.9267 -183635.9900 -149309.3174 298.7589 -216.6600 -189.6756 557528.6780 9.5596 9.6473 PRESSURE: 2071200 145.515 120.603 -44.2865 120.602 247.07 -78.9382 -44.286 -78.9372 34.2479 GPRESSURE: 2071200 80.2954 171.946 -67.0948 176.162 304.732 -91.9634 -83.9774 -69.9537 140.853 PRESSAVG: 2071200 -5.54854 39.6783 12.0582 39.6782 -22.8083 -39.1784 12.0582 -39.1785 18.3472 GPRESSAVG: 2071200 -5.62788 41.5965 11.1544 38.9744 -23.5301 -38.6332 11.729 -43.261 19.2858 TIMING: 2071200 CPU: 6244.16, 0.00302086/step Wall: 6244.16, 0.00302086/step, 2.45764 hours remaining, 207.242188 MB of memory in use. ENERGY: 2071200 742.8855 2123.1963 1910.8698 111.4021 -206470.7354 17938.1584 0.0000 0.0000 34317.9898 -149326.2336 299.7075 -183644.2234 -149223.0087 298.6028 142.2776 175.2934 556091.1053 -3.3366 -3.2907 PRESSURE: 2071400 -120.066 -185.436 2.08927 -185.436 -121.132 29.0086 2.08787 29.0073 -55.6842 GPRESSURE: 2071400 -95.5428 -220.744 -26.8477 -145.151 -73.3556 11.7952 21.3225 107.167 -31.1801 PRESSAVG: 2071400 18.7774 -35.4327 42.4531 -35.4327 16.9939 -12.4507 42.4532 -12.4506 -0.190288 GPRESSAVG: 2071400 18.0631 -37.4028 42.2897 -36.0271 18.0896 -14.444 45.856 -10.5742 0.00358471 TIMING: 2071400 CPU: 6244.76, 0.00301268/step Wall: 6244.76, 0.00301268/step, 2.45082 hours remaining, 207.242188 MB of memory in use. ENERGY: 2071400 758.1634 2177.9646 1932.4480 119.7322 -206170.9633 17721.2158 0.0000 0.0000 34093.6326 -149367.8068 297.7482 -183461.4394 -149271.0669 298.7067 -98.9607 -66.6928 557789.7837 11.8603 12.0521 PRESSURE: 2071600 -0.704223 -138.613 217.352 -138.612 -97.3872 74.9033 217.351 74.9016 -146.492 GPRESSURE: 2071600 33.2747 -82.82 296.384 -81.1937 -45.4177 8.43945 181.566 67.0846 -135.558 PRESSAVG: 2071600 22.6409 -31.8421 12.7105 -31.8421 34.7566 -20.7169 12.7105 -20.7168 -48.5032 GPRESSAVG: 2071600 23.9153 -31.9527 14.4163 -30.0622 33.8848 -18.1944 10.7771 -18.8919 -48.7303 TIMING: 2071600 CPU: 6245.37, 0.0030258/step Wall: 6245.37, 0.0030258/step, 2.46132 hours remaining, 207.242188 MB of memory in use. ENERGY: 2071600 743.5955 2176.4803 1929.8520 115.0125 -206082.7653 17607.6917 0.0000 0.0000 34288.6854 -149221.4478 299.4516 -183510.1333 -149127.2354 299.2115 -81.5277 -49.2336 558345.1742 2.9648 3.0232 PRESSURE: 2071800 172.479 -76.0596 53.9133 -76.0596 121.215 -14.6134 53.9147 -14.6134 -156.294 GPRESSURE: 2071800 185.496 -29.6941 20.1846 -20.9193 169.044 55.124 6.13468 -80.4583 -123.028 PRESSAVG: 2071800 2.54435 -17.3133 7.75693 -17.3133 -49.5933 41.1516 7.75697 41.1515 1.65674 GPRESSAVG: 2071800 1.35913 -18.7712 6.66645 -18.046 -48.2949 40.7646 8.18187 40.5899 0.979562 TIMING: 2071800 CPU: 6245.97, 0.00303521/step Wall: 6245.97, 0.00303521/step, 2.46881 hours remaining, 207.242188 MB of memory in use. ENERGY: 2071800 716.9024 2139.5922 1940.5237 126.3920 -206623.9946 17956.8958 0.0000 0.0000 34486.5777 -149257.1108 301.1799 -183743.6885 -149147.1736 299.4856 45.8001 77.1707 557123.2010 -15.1307 -15.3187 PRESSURE: 2072000 71.3724 45.9907 20.2732 45.9905 -12.8572 -13.9144 20.2728 -13.9141 -55.7957 GPRESSURE: 2072000 84.3048 -42.1653 -28.5665 33.3503 -20.4115 -18.1979 67.3743 8.76555 36.9963 PRESSAVG: 2072000 -86.0222 -38.9271 74.9119 -38.9272 8.4394 69.1966 74.9119 69.1965 32.1516 GPRESSAVG: 2072000 -86.7273 -39.0576 73.1525 -38.0637 7.92505 68.084 77.3395 69.3812 32.6775 TIMING: 2072000 CPU: 6246.58, 0.0030277/step Wall: 6246.58, 0.0030277/step, 2.46253 hours remaining, 207.242188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2072000 758.3131 2125.9359 1923.8745 108.2886 -206168.0253 17892.8417 0.0000 0.0000 34161.7798 -149196.9916 298.3433 -183358.7714 -149099.3001 298.4881 0.9065 33.6299 558126.9921 -15.1438 -15.3749 PRESSURE: 2072200 222.978 76.6636 -6.82918 76.6626 -5.32697 178.578 -6.83041 178.579 -121.267 GPRESSURE: 2072200 255.82 49.7291 -17.2938 104.781 44.8505 184.219 108.756 203.335 -101.376 PRESSAVG: 2072200 66.002 64.0611 8.76618 64.061 -21.4893 57.9141 8.76628 57.9142 9.60341 GPRESSAVG: 2072200 66.8868 64.1682 10.5695 63.4319 -22.0437 57.2276 6.27396 57.2197 9.11043 TIMING: 2072200 CPU: 6247.19, 0.00302993/step Wall: 6247.19, 0.00302993/step, 2.46418 hours remaining, 207.242188 MB of memory in use. ENERGY: 2072200 770.5328 2063.9108 1933.4654 127.6973 -206236.8353 17849.0668 0.0000 0.0000 34369.8448 -149122.3174 300.1604 -183492.1622 -149028.7324 298.9320 32.1280 66.4316 556147.0948 18.0387 17.9845 LDB: ============= START OF LOAD BALANCING ============== 6250.7 LDB: ============== END OF LOAD BALANCING =============== 6250.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6250.71 LDB: ============= START OF LOAD BALANCING ============== 6251.01 LDB: Largest compute 4800 load 0.028238 is 23.9% of average load 0.118056 LDB: Average compute 0.001721 is 1.5% of average load 0.118056 LDB: TIME 6251.01 LOAD: AVG 0.118056 MAX 0.207988 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.297 MB LDB: TIME 6251.01 LOAD: AVG 0.118056 MAX 0.207988 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.297 MB LDB: TIME 6251.01 LOAD: AVG 0.118056 MAX 0.207988 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.297 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6251.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6251.02 PRESSURE: 2072400 -171.469 -127.879 -20.5325 -127.88 -181.644 53.7403 -20.5336 53.7409 -111.429 GPRESSURE: 2072400 -143.092 -86.8266 -17.6183 -108.502 -96.2007 118.892 -48.816 67.8724 -119.302 PRESSAVG: 2072400 68.6374 -6.48233 15.8494 -6.48229 -33.8747 6.34089 15.8494 6.3409 -37.9072 GPRESSAVG: 2072400 68.0856 -4.62777 15.6502 -6.58188 -33.5783 5.49654 14.8806 5.73545 -38.1139 TIMING: 2072400 CPU: 6247.8, 0.00306481/step Wall: 6247.8, 0.00306481/step, 2.49237 hours remaining, 208.667969 MB of memory in use. ENERGY: 2072400 788.5337 2076.9662 1930.2378 112.0635 -206115.2616 17614.3110 0.0000 0.0000 34410.7040 -149182.4452 300.5172 -183593.1493 -149082.1951 299.5862 -154.8475 -119.5314 556688.9448 -1.0482 -1.2022 PRESSURE: 2072600 -265.844 113.433 86.7078 113.432 175.001 -64.1811 86.7088 -64.1821 151.588 GPRESSURE: 2072600 -160.739 18.7675 34.2567 223.447 169.393 -104.429 61.8203 -101.113 165.866 PRESSAVG: 2072600 44.503 8.44446 15.8281 8.44444 17.1097 43.559 15.8281 43.559 -58.0242 GPRESSAVG: 2072600 44.7982 6.75765 15.772 10.9054 17.3264 45.2547 16.556 41.7095 -58.9527 TIMING: 2072600 CPU: 6248.41, 0.00303643/step Wall: 6248.41, 0.00303643/step, 2.46912 hours remaining, 208.667969 MB of memory in use. ENERGY: 2072600 746.9839 2132.3276 1932.0142 111.6017 -206178.6829 17846.7144 0.0000 0.0000 34292.0547 -149116.9865 299.4810 -183409.0411 -149019.4625 299.5342 20.2482 58.1732 557183.3164 1.1962 1.0573 PRESSURE: 2072800 -527.831 -52.5553 5.47962 -52.5555 -143.151 122.604 5.47935 122.603 -367.659 GPRESSURE: 2072800 -487.982 -39.9641 -103.177 -34.0156 -122.879 167.211 82.7398 106.029 -321.526 PRESSAVG: 2072800 -55.6702 -48.9488 -26.1224 -48.9488 49.947 12.3605 -26.1225 12.3603 31.721 GPRESSAVG: 2072800 -55.4857 -46.7483 -28.1525 -49.9406 48.6964 11.0485 -24.8648 14.4189 32.5949 TIMING: 2072800 CPU: 6249.01, 0.00302048/step Wall: 6249.01, 0.00302048/step, 2.45599 hours remaining, 208.667969 MB of memory in use. ENERGY: 2072800 755.8535 2121.5658 1956.9836 118.5527 -205946.2636 17547.9627 0.0000 0.0000 34118.1338 -149327.2115 297.9621 -183445.3453 -149220.1497 298.9232 -346.2137 -310.7957 560032.6538 8.6659 8.6019 PRESSURE: 2073000 -159.906 -102.85 -35.6599 -102.85 43.687 -25.3622 -35.6605 -25.3629 -93.9607 GPRESSURE: 2073000 -112.854 -69.3315 -63.3074 -172.01 84.674 -75.1517 -72.9697 48.9335 -80.6704 PRESSAVG: 2073000 -41.941 -28.7304 96.8589 -28.7305 42.6816 11.303 96.8589 11.3031 62.5909 GPRESSAVG: 2073000 -42.6594 -30.4253 98.9513 -28.9614 42.2046 11.241 95.7987 11.0528 63.6142 TIMING: 2073000 CPU: 6249.62, 0.00304891/step Wall: 6249.62, 0.00304891/step, 2.47893 hours remaining, 208.667969 MB of memory in use. ENERGY: 2073000 754.9923 2103.9403 1927.4323 100.7269 -206209.0897 17879.0865 0.0000 0.0000 34220.3947 -149222.5167 298.8552 -183442.9114 -149115.7109 299.2227 -70.0599 -36.2836 559701.3371 21.1105 21.0531 PRESSURE: 2073200 -61.7727 -250.175 -17.7551 -250.173 48.4511 -96.7513 -17.7556 -96.7505 -58.155 GPRESSURE: 2073200 4.10607 -296.889 -73.5118 -237.99 42.2347 -139.966 62.7076 -56.0789 -18.0512 PRESSAVG: 2073200 -39.6676 9.10392 -2.96348 9.10381 43.7196 -30.1095 -2.96343 -30.1096 -23.1976 GPRESSAVG: 2073200 -39.5617 10.3487 -2.82532 7.13179 44.5336 -31.5308 -1.96191 -28.0808 -24.1435 TIMING: 2073200 CPU: 6250.22, 0.00301674/step Wall: 6250.22, 0.00301674/step, 2.45261 hours remaining, 208.667969 MB of memory in use. ENERGY: 2073200 734.6947 2084.1578 1907.1938 118.2095 -205863.7517 17709.7273 0.0000 0.0000 34191.6661 -149118.1026 298.6043 -183309.7687 -149027.4055 299.0876 -23.8256 9.4298 558298.4888 -6.3819 -6.3905 PRESSURE: 2073400 -391.573 5.12172 -34.5182 5.12195 -37.2348 21.2991 -34.5168 21.2986 30.5745 GPRESSURE: 2073400 -303.921 22.8848 -17.5911 -66.9454 -2.12671 77.3674 -37.1392 -9.8584 0.842973 PRESSAVG: 2073400 -16.1158 -41.1066 -2.10481 -41.1066 -0.844055 43.6706 -2.10473 43.6705 -45.4117 GPRESSAVG: 2073400 -16.0029 -41.9109 -1.64648 -40.2261 -1.38851 45.4529 -3.78878 41.9381 -45.5055 TIMING: 2073400 CPU: 6250.83, 0.00301653/step Wall: 6250.83, 0.00301653/step, 2.45227 hours remaining, 208.878906 MB of memory in use. ENERGY: 2073400 749.6230 2138.7749 1919.9051 121.2372 -206004.9538 17670.1789 0.0000 0.0000 34245.8708 -149159.3639 299.0777 -183405.2347 -149054.3315 299.3156 -132.7446 -101.7349 558092.8684 -20.7905 -20.9656 PRESSURE: 2073600 -108.828 105.469 -100.932 105.468 7.27035 -56.4066 -100.933 -56.4064 -41.5807 GPRESSURE: 2073600 -153.544 137.867 -141.415 33.2404 74.3117 -73.201 -23.5457 4.43093 42.3541 PRESSAVG: 2073600 -23.7577 2.03414 -3.81213 2.03414 21.0409 -20.3614 -3.81214 -20.3614 40.3075 GPRESSAVG: 2073600 -25.0436 1.62994 -4.4054 2.16534 21.9424 -21.0393 -3.67404 -19.5113 40.5769 TIMING: 2073600 CPU: 6251.43, 0.00301825/step Wall: 6251.43, 0.00301825/step, 2.4535 hours remaining, 208.878906 MB of memory in use. ENERGY: 2073600 740.6100 2150.7574 1937.9251 94.6626 -206569.0344 17997.2392 0.0000 0.0000 34371.0374 -149276.8027 300.1708 -183647.8402 -149179.3013 299.2742 -47.7127 -12.2926 558418.1944 12.5302 12.4919 PRESSURE: 2073800 -116.882 -14.8714 157.614 -14.8711 99.99 161.329 157.614 161.331 -14.5496 GPRESSURE: 2073800 -55.1849 -25.8112 164.398 4.70215 121.853 113.172 123.683 211.744 -8.01781 PRESSAVG: 2073800 -3.22734 30.4195 30.5413 30.4195 -4.28957 38.773 30.5412 38.7731 -32.0403 GPRESSAVG: 2073800 -2.53145 30.9579 31.617 29.8375 -4.40247 38.6818 29.5853 39.1731 -32.77 TIMING: 2073800 CPU: 6252.03, 0.00299396/step Wall: 6252.03, 0.00299396/step, 2.43359 hours remaining, 208.878906 MB of memory in use. ENERGY: 2073800 752.6104 2132.6669 1937.2481 105.3971 -206520.8932 17851.2106 0.0000 0.0000 34310.1403 -149431.6197 299.6390 -183741.7600 -149336.2557 298.7461 -10.4804 19.5500 556806.0220 -13.1857 -13.2347 PRESSURE: 2074000 -162.844 188.403 50.1718 188.404 -149.41 -90.0676 50.1709 -90.0693 110.091 GPRESSURE: 2074000 -145.073 189.324 126.373 131.352 -103.997 -81.7683 -75.7512 -120.299 155.075 PRESSAVG: 2074000 8.28 11.0148 18.0196 11.0147 -80.4947 27.212 18.0197 27.2119 54.0186 GPRESSAVG: 2074000 8.17686 11.9206 19.2692 9.26187 -80.0752 27.5143 16.3315 26.4928 54.5273 TIMING: 2074000 CPU: 6252.63, 0.00298386/step Wall: 6252.63, 0.00298386/step, 2.42521 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: 2074000 755.8217 2141.2244 1923.2187 114.8129 -206279.5057 17768.0584 0.0000 0.0000 34398.5017 -149177.8680 300.4107 -183576.3697 -149080.8278 299.2764 -67.3878 -31.3318 559416.1162 -6.0654 -5.7903 PRESSURE: 2074200 -187.374 16.429 61.9766 16.4296 -76.2127 -2.80113 61.9757 -2.80304 212.72 GPRESSURE: 2074200 -141.385 -23.6654 70.8827 34.2555 -9.87597 26.479 51.8185 -5.62942 214.744 PRESSAVG: 2074200 21.3841 49.241 -18.5854 49.2411 -29.573 -1.34143 -18.5855 -1.34152 -5.05213 GPRESSAVG: 2074200 21.8809 48.4801 -20.0675 50.7067 -30.3286 -0.143467 -16.0649 -2.59184 -3.9875 TIMING: 2074200 CPU: 6253.23, 0.00301912/step Wall: 6253.23, 0.00301912/step, 2.4537 hours remaining, 208.949219 MB of memory in use. ENERGY: 2074200 741.4675 2116.1316 1941.9751 106.6380 -206449.4176 17848.1556 0.0000 0.0000 34520.3067 -149174.7432 301.4744 -183695.0498 -149077.7656 299.9119 -16.9555 21.1610 557031.1955 -4.4137 -4.1451 PRESSURE: 2074400 26.4332 50.4304 -88.2344 50.4316 29.149 -136.09 -88.2345 -136.091 -132.23 GPRESSURE: 2074400 33.7547 70.6381 -145.387 68.7177 21.2508 -132.22 -51.1443 -97.1939 -38.422 PRESSAVG: 2074400 18.2148 35.3414 -29.4048 35.3414 8.42175 -12.0758 -29.4049 -12.0758 -21.4204 GPRESSAVG: 2074400 19.2047 35.1056 -29.0782 35.9692 8.62898 -9.5723 -30.0328 -14.1681 -22.3513 TIMING: 2074400 CPU: 6253.84, 0.00303721/step Wall: 6253.84, 0.00303721/step, 2.46824 hours remaining, 208.949219 MB of memory in use. ENERGY: 2074400 779.4093 2148.8829 1957.2869 114.0646 -206217.0333 17751.3357 0.0000 0.0000 34215.7528 -149250.3011 298.8147 -183466.0538 -149152.5407 299.9932 -25.5493 5.5279 557727.6550 1.7387 1.8275 PRESSURE: 2074600 64.0157 68.8803 -159.769 68.8806 114.023 29.9115 -159.77 29.9111 -29.5319 GPRESSURE: 2074600 66.0029 92.1129 -138.716 23.658 174.639 -30.6552 -194.854 57.8723 21.4077 PRESSAVG: 2074600 -11.2053 -43.3378 -9.98875 -43.3379 38.3383 24.545 -9.98877 24.5451 -39.9222 GPRESSAVG: 2074600 -12.7571 -44.1402 -10.7416 -42.344 38.8114 21.0397 -7.46825 26.9976 -38.8918 TIMING: 2074600 CPU: 6254.45, 0.00307944/step Wall: 6254.45, 0.00307944/step, 2.50239 hours remaining, 208.949219 MB of memory in use. ENERGY: 2074600 738.3408 2091.1806 1920.2933 131.8437 -206236.5073 17881.4767 0.0000 0.0000 34280.6458 -149192.7265 299.3814 -183473.3723 -149094.9904 299.3097 49.5023 87.3498 557471.4230 -4.2631 -4.2792 PRESSURE: 2074800 -151.168 -6.58321 47.773 -6.58303 -88.7539 207.565 47.7727 207.565 153.207 GPRESSURE: 2074800 -91.6201 13.0144 61.001 -12.1489 -48.7663 109.76 -29.7505 228.257 157.076 PRESSAVG: 2074800 -52.1313 12.852 -53.9852 12.8521 -1.69849 27.7873 -53.9852 27.7872 33.6793 GPRESSAVG: 2074800 -51.1667 13.3667 -54.5577 10.2597 -1.23281 28.2088 -56.5373 28.8676 32.3968 TIMING: 2074800 CPU: 6255.06, 0.00303703/step Wall: 6255.06, 0.00303703/step, 2.46775 hours remaining, 208.949219 MB of memory in use. ENERGY: 2074800 719.9732 2153.3289 1950.2631 111.7223 -206213.3248 17870.8728 0.0000 0.0000 34203.6352 -149203.5293 298.7089 -183407.1646 -149110.4827 300.0968 -28.9049 5.5632 557636.2579 -6.7168 -6.6676 PRESSURE: 2075000 -126.091 -24.5801 -204.468 -24.582 -158.33 98.1323 -204.468 98.1318 95.149 GPRESSURE: 2075000 -105.712 -19.6906 -188.683 -47.1905 -91.7479 96.8769 -228.87 61.5742 118.439 PRESSAVG: 2075000 17.0495 -42.1778 -38.1822 -42.1778 -78.2515 55.5905 -38.1821 55.5905 34.5062 GPRESSAVG: 2075000 16.8471 -41.9912 -37.7908 -41.7185 -78.5616 55.2727 -39.5031 54.9475 34.8465 TIMING: 2075000 CPU: 6255.67, 0.00303404/step Wall: 6255.67, 0.00303404/step, 2.46516 hours remaining, 208.949219 MB of memory in use. ENERGY: 2075000 724.3283 2101.4575 1927.3683 105.8264 -206126.7261 17724.5069 0.0000 0.0000 34279.9189 -149263.3199 299.3751 -183543.2388 -149162.2090 299.7384 -63.0909 -26.3404 557979.2119 -8.8986 -8.9560 PRESSURE: 2075200 246.608 -25.4449 91.5515 -25.4448 140.929 64.4892 91.5511 64.4873 9.45785 GPRESSURE: 2075200 291.756 -13.5111 146.593 -74.4255 179.888 63.6917 -6.08549 26.6193 16.8725 PRESSAVG: 2075200 28.3202 -14.9832 -42.81 -14.9832 -51.6063 -21.4819 -42.81 -21.482 38.9401 GPRESSAVG: 2075200 28.7362 -15.0936 -41.5293 -13.02 -51.9826 -19.6149 -40.984 -22.3374 38.3108 TIMING: 2075200 CPU: 6256.28, 0.00304437/step Wall: 6256.28, 0.00304437/step, 2.47338 hours remaining, 208.949219 MB of memory in use. ENERGY: 2075200 719.8035 2117.5476 1938.3549 118.6075 -205990.8396 17838.8618 0.0000 0.0000 34060.5435 -149197.1209 297.4592 -183257.6644 -149100.8849 299.0093 132.3316 162.8389 556659.9147 5.2180 5.0215 PRESSURE: 2075400 -62.7521 3.19638 -59.4154 3.19729 221.337 56.02 -59.4158 56.0198 -82.4425 GPRESSURE: 2075400 -62.4325 34.8639 -21.8066 4.75792 210.119 -15.5153 -78.4084 92.3417 22.7358 PRESSAVG: 2075400 9.73155 -8.99609 -27.0138 -8.99613 -4.70065 30.8518 -27.0138 30.8518 5.55277 GPRESSAVG: 2075400 10.1129 -8.36368 -26.0452 -9.32767 -4.69015 28.9694 -27.9975 32.2936 5.37039 TIMING: 2075400 CPU: 6256.88, 0.00303045/step Wall: 6256.88, 0.00303045/step, 2.4619 hours remaining, 208.949219 MB of memory in use. ENERGY: 2075400 730.6863 2098.5261 1950.1928 123.1484 -205921.1477 17755.1870 0.0000 0.0000 34209.3302 -149054.0769 298.7586 -183263.4071 -148960.7099 299.5348 25.3809 56.8075 557848.3164 3.5279 3.5977 PRESSURE: 2075600 -153.742 36.0132 51.4656 36.0112 -423.695 114.999 51.4648 114.999 -113.444 GPRESSURE: 2075600 -107.073 53.8131 10.4395 -101.463 -405.217 182.677 -9.81254 56.8986 -89.9519 PRESSAVG: 2075600 32.1626 15.7125 -23.9979 15.7125 29.966 -13.4693 -23.9979 -13.4693 -58.1043 GPRESSAVG: 2075600 32.0733 15.4282 -23.4737 14.0372 29.0245 -12.6078 -24.0146 -13.9093 -57.0331 TIMING: 2075600 CPU: 6257.48, 0.00299879/step Wall: 6257.48, 0.00299879/step, 2.43602 hours remaining, 208.949219 MB of memory in use. ENERGY: 2075600 770.4089 2049.8045 1977.8610 112.9970 -205873.4229 17355.7953 0.0000 0.0000 34347.3071 -149259.2492 299.9636 -183606.5563 -149160.1852 299.6485 -230.2935 -200.7472 557203.1080 1.3414 1.3549 PRESSURE: 2075800 170.808 -48.8577 -135.445 -48.8573 107.371 -101.329 -135.445 -101.327 -289.549 GPRESSURE: 2075800 200.773 -8.0792 -167.33 32.1662 126.346 -137.193 -186.024 -101.782 -236.309 PRESSAVG: 2075800 9.68225 10.1664 -51.4781 10.1665 22.6296 -11.2184 -51.4781 -11.2183 -36.8028 GPRESSAVG: 2075800 9.64382 10.4056 -52.8015 10.2852 23.867 -12.6918 -52.0951 -11.0515 -37.8588 TIMING: 2075800 CPU: 6258.08, 0.00299446/step Wall: 6258.08, 0.00299446/step, 2.43233 hours remaining, 208.953125 MB of memory in use. ENERGY: 2075800 759.1674 2071.3199 1951.0384 117.6918 -206478.9097 17966.3511 0.0000 0.0000 34331.9115 -149281.4296 299.8291 -183613.3411 -149180.1135 298.9501 -3.7898 30.2700 556767.1209 -1.4970 -1.4493 PRESSURE: 2076000 -189.7 -169.468 -27.4526 -169.468 -90.836 -38.8833 -27.4534 -38.8855 25.9758 GPRESSURE: 2076000 -173.564 -104.925 -107.284 -206.602 -10.7766 -108.922 34.489 -16.6833 40.4131 PRESSAVG: 2076000 -10.766 3.90794 -25.1595 3.90797 56.3868 -25.7322 -25.1596 -25.7323 -105.668 GPRESSAVG: 2076000 -9.94722 4.74124 -24.0239 4.53272 54.5942 -24.1455 -25.5712 -26.653 -104.423 TIMING: 2076000 CPU: 6258.68, 0.00300478/step Wall: 6258.68, 0.00300478/step, 2.44055 hours remaining, 208.953125 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: 2076000 755.3603 2098.7462 1904.5693 103.5324 -206209.0791 17776.0394 0.0000 0.0000 34206.8848 -149363.9467 298.7372 -183570.8316 -149264.5665 299.4625 -84.8534 -47.9759 556752.8527 -20.0156 -19.9253 PRESSURE: 2076200 -63.4243 -110.596 -81.7134 -110.597 -164.401 30.4595 -81.7123 30.4607 30.6016 GPRESSURE: 2076200 -117.157 -165.359 -84.4487 -60.8407 -99.0666 9.6722 -110.519 -48.6764 97.7702 PRESSAVG: 2076200 40.1951 -26.1406 -33.9347 -26.1405 -3.7339 1.8485 -33.9347 1.84842 -5.63457 GPRESSAVG: 2076200 40.6902 -26.1918 -34.2074 -26.1502 -3.27594 4.17866 -33.7424 -0.0727494 -6.53372 TIMING: 2076200 CPU: 6259.28, 0.0029914/step Wall: 6259.28, 0.0029914/step, 2.42952 hours remaining, 208.953125 MB of memory in use. ENERGY: 2076200 754.7933 2069.2869 1943.3189 108.6258 -206002.1544 17658.5331 0.0000 0.0000 34412.8307 -149054.7657 300.5358 -183467.5964 -148953.1847 298.7940 -65.7411 -39.4846 558257.2063 10.2755 10.2935 LDB: ============= START OF LOAD BALANCING ============== 6262.8 LDB: ============== END OF LOAD BALANCING =============== 6262.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6262.8 LDB: ============= START OF LOAD BALANCING ============== 6263.1 LDB: Largest compute 4800 load 0.026259 is 22.3% of average load 0.118011 LDB: Average compute 0.001727 is 1.5% of average load 0.118011 LDB: TIME 6263.1 LOAD: AVG 0.118011 MAX 0.20398 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.191 MB LDB: TIME 6263.1 LOAD: AVG 0.118011 MAX 0.20398 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: TIME 6263.1 LOAD: AVG 0.118011 MAX 0.20398 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: ============== END OF LOAD BALANCING =============== 6263.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6263.1 PRESSURE: 2076400 63.4016 -82.1856 -161.822 -82.1844 -185.662 -5.89912 -161.823 -5.89881 -134.959 GPRESSURE: 2076400 66.054 -89.5268 -227.03 -15.5974 -131.734 66.5584 -127.902 48.0763 -98.3535 PRESSAVG: 2076400 21.932 26.4733 -66.2515 26.4733 15.506 -18.9925 -66.2514 -18.9926 -15.3335 GPRESSAVG: 2076400 21.309 25.8549 -68.5681 26.1571 15.7576 -20.7569 -63.7434 -16.5731 -14.5204 TIMING: 2076400 CPU: 6259.89, 0.00304018/step Wall: 6259.89, 0.00304018/step, 2.46896 hours remaining, 209.191406 MB of memory in use. ENERGY: 2076400 757.4871 2072.6174 1928.6025 102.6169 -205959.5557 17689.1872 0.0000 0.0000 34172.5370 -149236.5076 298.4373 -183409.0446 -149141.2792 300.0144 -85.7400 -54.6780 557899.3001 7.3682 7.5154 PRESSURE: 2076600 118.282 -64.0124 -20.1476 -64.0129 -93.6528 -6.20086 -20.1472 -6.199 17.8455 GPRESSURE: 2076600 141.42 -57.4322 -80.829 -68.2079 -92.647 6.61848 66.0284 -59.6448 66.0185 PRESSAVG: 2076600 39.6354 -12.732 -24.115 -12.7319 -93.0246 42.2555 -24.1149 42.2554 18.5084 GPRESSAVG: 2076600 39.6014 -12.9757 -21.9425 -12.194 -92.4588 42.9616 -25.8869 41.8063 17.5876 TIMING: 2076600 CPU: 6260.49, 0.0030096/step Wall: 6260.49, 0.0030096/step, 2.44396 hours remaining, 209.394531 MB of memory in use. ENERGY: 2076600 721.2659 2103.4615 1912.6926 98.9500 -205730.1861 17567.6245 0.0000 0.0000 34206.8387 -149119.3529 298.7368 -183326.1916 -149023.1476 300.1162 14.1584 38.2638 557001.7244 -11.6269 -11.7566 PRESSURE: 2076800 219.138 -143.912 -202.249 -143.912 199.032 103.896 -202.251 103.895 90.7003 GPRESSURE: 2076800 252.635 -196.41 -157.923 -110.683 229.15 30.4197 -195.856 202.833 131.879 PRESSAVG: 2076800 54.3187 35.1181 -49.7163 35.118 -1.9351 24.9641 -49.7162 24.9642 -29.4243 GPRESSAVG: 2076800 54.5588 36.4788 -52.1036 33.833 -3.15309 24.7895 -47.3076 25.8804 -28.4634 TIMING: 2076800 CPU: 6261.09, 0.00300829/step Wall: 6261.09, 0.00300829/step, 2.44273 hours remaining, 209.394531 MB of memory in use. ENERGY: 2076800 773.3944 2074.5709 1917.3776 117.4457 -206804.7756 18117.2351 0.0000 0.0000 34539.0919 -149265.6599 301.6385 -183804.7519 -149174.2843 299.4484 169.6234 204.5545 555896.4240 7.6531 7.6474 PRESSURE: 2077000 -237.335 15.1669 -107.5 15.1665 -115.042 -10.9663 -107.501 -10.9668 -252.88 GPRESSURE: 2077000 -252.818 -18.7243 -61.7667 0.459269 -54.8137 27.1772 -71.8841 4.96022 -181.396 PRESSAVG: 2077000 70.3179 49.2671 -24.4057 49.267 -18.0235 24.1049 -24.4057 24.1051 -73.9748 GPRESSAVG: 2077000 70.4697 47.7804 -22.3492 48.2015 -17.9785 24.4837 -26.3962 22.7116 -74.5062 TIMING: 2077000 CPU: 6261.7, 0.00302801/step Wall: 6261.7, 0.00302801/step, 2.45858 hours remaining, 209.519531 MB of memory in use. ENERGY: 2077000 758.8080 2058.1627 1937.9070 113.8929 -205986.1360 17516.6137 0.0000 0.0000 34195.8955 -149404.8561 298.6413 -183600.7515 -149307.0235 299.8700 -201.7523 -163.0091 558139.6323 -7.2268 -7.3383 PRESSURE: 2077200 29.6863 142.768 -80.9984 142.767 56.6596 13.0052 -80.9994 13.0037 -287.269 GPRESSURE: 2077200 86.7922 167.273 -86.3684 141.477 84.6251 94.9791 -155.886 13.2914 -276.584 PRESSAVG: 2077200 9.55154 52.3204 -19.4926 52.3204 5.29576 76.6921 -19.4926 76.692 0.439094 GPRESSAVG: 2077200 8.56806 52.7095 -19.5917 54.2774 5.1356 75.1634 -17.7617 78.8302 1.41406 TIMING: 2077200 CPU: 6262.3, 0.00301016/step Wall: 6262.3, 0.00301016/step, 2.44392 hours remaining, 209.519531 MB of memory in use. ENERGY: 2077200 805.3994 2142.6749 1905.7009 109.0177 -206365.5496 17737.2233 0.0000 0.0000 34234.3804 -149431.1531 298.9774 -183665.5335 -149329.3700 298.7610 -66.9745 -35.0555 555572.4916 5.0955 5.0392 PRESSURE: 2077400 25.8896 259.817 -195.899 259.818 -262.238 -92.8812 -195.898 -92.8821 -195.231 GPRESSURE: 2077400 54.9358 235.61 -251.653 210.912 -228.807 -141 -115.668 -69.6322 -148.064 PRESSAVG: 2077400 22.0943 76.0105 2.80817 76.0105 7.60272 -28.1138 2.8082 -28.1138 -18.6956 GPRESSAVG: 2077400 22.8302 75.1901 4.05548 75.1155 8.4976 -26.6133 1.77213 -30.2161 -20.0029 TIMING: 2077400 CPU: 6262.9, 0.00300445/step Wall: 6262.9, 0.00300446/step, 2.43912 hours remaining, 209.519531 MB of memory in use. ENERGY: 2077400 748.5833 2045.5439 1908.2674 98.3173 -206312.9448 17713.7455 0.0000 0.0000 34395.0445 -149403.4429 300.3805 -183798.4874 -149310.1635 298.7438 -143.8596 -107.3118 556389.5531 3.6671 3.7750 PRESSURE: 2077600 -9.54324 -11.7385 71.2228 -11.7391 -78.2657 124.038 71.2226 124.038 276.766 GPRESSURE: 2077600 71.1063 37.1067 31.3516 -46.352 -65.3294 190.244 88.796 105.014 275.575 PRESSAVG: 2077600 66.0237 56.0772 -8.36043 56.0772 -71.8254 18.2935 -8.36039 18.2935 -15.9993 GPRESSAVG: 2077600 66.0939 57.1786 -10.7292 56.2745 -72.2827 18.1116 -8.82818 20.396 -15.339 TIMING: 2077600 CPU: 6263.5, 0.00301127/step Wall: 6263.5, 0.00301127/step, 2.44448 hours remaining, 209.519531 MB of memory in use. ENERGY: 2077600 695.6506 2091.5809 1922.3349 114.2138 -206710.1255 18155.2994 0.0000 0.0000 34271.0155 -149460.0305 299.2973 -183731.0459 -149363.2807 298.8418 62.9857 93.7841 558727.7183 -7.2670 -7.1760 PRESSURE: 2077800 -10.1706 -103.364 18.0291 -103.363 -185.018 -77.9479 18.03 -77.9477 -219.213 GPRESSURE: 2077800 69.1435 -115.284 -50.9558 -31.4368 -184.296 -105.23 -1.23297 -114.648 -210.957 PRESSAVG: 2077800 88.3156 -25.3254 -35.5292 -25.3254 -43.3865 22.1882 -35.5293 22.1882 -25.18 GPRESSAVG: 2077800 88.9763 -26.359 -33.7729 -25.2736 -43.852 21.9369 -35.5523 19.7914 -25.2879 TIMING: 2077800 CPU: 6264.11, 0.00301622/step Wall: 6264.11, 0.00301622/step, 2.44834 hours remaining, 209.519531 MB of memory in use. ENERGY: 2077800 774.6406 2120.1460 1944.0905 112.2656 -206151.1326 17589.8688 0.0000 0.0000 34238.7642 -149371.3570 299.0156 -183610.1212 -149272.0511 298.4519 -138.1338 -108.7032 557348.0478 6.5830 6.6121 PRESSURE: 2078000 -327.903 39.2012 156.016 39.2007 227.712 31.386 156.016 31.3859 -8.37267 GPRESSURE: 2078000 -304.772 -7.51024 150.032 -5.55422 234.882 21.6937 74.5264 109.327 60.5981 PRESSAVG: 2078000 19.7163 -17.4211 -45.0975 -17.4212 -1.05444 87.7318 -45.0975 87.7316 44.6629 GPRESSAVG: 2078000 19.3244 -15.8036 -46.1789 -16.8747 -0.634859 87.1809 -43.2378 88.7127 44.9424 TIMING: 2078000 CPU: 6264.71, 0.00299659/step Wall: 6264.71, 0.00299659/step, 2.43223 hours remaining, 209.519531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2078000 719.7382 2096.4817 1938.9150 110.7463 -206098.7203 17707.9856 0.0000 0.0000 34147.3976 -149377.4558 298.2177 -183524.8534 -149295.2252 298.9047 -36.1877 -3.0972 557035.0942 21.1083 21.2106 PRESSURE: 2078200 -314.635 117.953 2.24551 117.953 -45.875 70.2563 2.24531 70.2562 -84.0656 GPRESSURE: 2078200 -268.745 177.668 -47.2977 59.6609 3.43794 135.365 41.8454 45.6957 -90.2281 PRESSAVG: 2078200 24.6123 15.6122 20.3293 15.612 0.151679 18.6334 20.3293 18.6333 -46.8009 GPRESSAVG: 2078200 24.1836 13.3214 21.4747 15.5504 -0.154565 18.0702 19.1452 19.4063 -45.7912 TIMING: 2078200 CPU: 6265.31, 0.0030211/step Wall: 6265.31, 0.0030211/step, 2.45196 hours remaining, 209.519531 MB of memory in use. ENERGY: 2078200 750.0790 2121.4000 1921.3184 115.0049 -206246.6449 17669.3311 0.0000 0.0000 34188.8760 -149480.6355 298.5800 -183669.5115 -149386.7296 299.1648 -148.1920 -118.5116 559040.8917 -7.3456 -7.2541 PRESSURE: 2078400 -135.598 22.1498 -28.4577 22.1495 -83.1452 23.2769 -28.4559 23.2781 -113.791 GPRESSURE: 2078400 -121.13 -121.19 -47.9954 37.1586 3.55726 48.091 32.0985 4.68575 -102.497 PRESSAVG: 2078400 29.0084 12.6601 -11.3798 12.66 -34.2185 9.90299 -11.3798 9.90313 -25.2783 GPRESSAVG: 2078400 28.4464 12.1172 -10.9486 12.2085 -32.9056 11.0885 -9.52979 9.12644 -25.8303 TIMING: 2078400 CPU: 6265.91, 0.00300113/step Wall: 6265.91, 0.00300113/step, 2.43558 hours remaining, 209.519531 MB of memory in use. ENERGY: 2078400 764.1595 2091.7756 1910.3975 127.0709 -206329.5928 17783.3294 0.0000 0.0000 34228.7896 -149424.0702 298.9285 -183652.8599 -149329.2622 298.3828 -110.8447 -73.3564 558424.5178 -10.1628 -10.0965 PRESSURE: 2078600 -261.747 25.7413 -24.774 25.7402 167.363 41.4492 -24.7745 41.4499 -240.183 GPRESSURE: 2078600 -223.98 5.12035 0.483799 111.695 133.523 -45.8331 -39.6859 88.8464 -159.013 PRESSAVG: 2078600 -18.4932 16.3487 37.8127 16.3486 37.1155 -23.4561 37.8127 -23.4561 53.1534 GPRESSAVG: 2078600 -16.9694 16.917 38.0338 16.5319 35.7536 -23.5579 36.7987 -23.0201 52.5409 TIMING: 2078600 CPU: 6266.51, 0.00301759/step Wall: 6266.51, 0.00301759/step, 2.44878 hours remaining, 209.519531 MB of memory in use. ENERGY: 2078600 784.5378 2088.1353 1923.5333 118.7570 -206019.1733 17741.9383 0.0000 0.0000 34097.8946 -149264.3771 297.7854 -183362.2717 -149170.1226 298.8388 -111.5221 -83.1569 557464.2834 23.9252 23.7750 PRESSURE: 2078800 -85.1384 -33.396 74.5662 -33.3957 -20.7012 -110.919 74.5676 -110.92 231.085 GPRESSURE: 2078800 -66.4714 -17.6296 31.4563 61.9237 28.0361 -74.9825 22.5709 -101.982 257.926 PRESSAVG: 2078800 -20.6138 15.854 1.53776 15.8541 27.7868 21.4633 1.53783 21.4634 -2.86245 GPRESSAVG: 2078800 -22.5298 16.1523 1.19361 16.3757 28.1226 20.6857 -0.862625 22.1136 -1.35921 TIMING: 2078800 CPU: 6267.11, 0.0030065/step Wall: 6267.11, 0.0030065/step, 2.43961 hours remaining, 209.519531 MB of memory in use. ENERGY: 2078800 762.8971 2080.5126 1955.1667 112.7935 -206209.7888 17818.7095 0.0000 0.0000 34128.9875 -149350.7218 298.0569 -183479.7093 -149244.2164 298.9960 41.7486 73.1636 557379.7217 1.4369 1.4112 PRESSURE: 2079000 -65.0658 -43.7797 -73.0093 -43.7792 -56.5884 -26.2003 -73.0093 -26.2 1.28242 GPRESSURE: 2079000 -41.6336 -54.2162 -61.4136 -17.9942 -16.7423 -28.4853 -87.2791 46.5792 38.3283 PRESSAVG: 2079000 -48.5891 0.691458 10.6472 0.691463 -28.8627 -3.00938 10.6473 -3.00935 94.2019 GPRESSAVG: 2079000 -48.3518 1.53555 10.9097 1.11762 -28.3548 -0.321611 13.4203 -4.58426 93.7144 TIMING: 2079000 CPU: 6267.71, 0.00299925/step Wall: 6267.71, 0.00299925/step, 2.43355 hours remaining, 209.519531 MB of memory in use. ENERGY: 2079000 728.6193 2131.4267 1927.5219 116.5603 -206200.2352 17674.6703 0.0000 0.0000 34119.5236 -149501.9132 297.9743 -183621.4367 -149400.6444 299.1493 -40.1239 -6.6826 557087.4973 5.5834 5.6693 PRESSURE: 2079200 -88.2422 -4.97975 23.098 -4.97936 102.399 77.4702 23.0982 77.4704 -47.6672 GPRESSURE: 2079200 -54.3863 24.0547 -15.062 -52.4185 157.568 26.3063 115.327 145.545 -35.5883 PRESSAVG: 2079200 -6.05145 11.5678 33.8502 11.5677 66.7654 -5.87023 33.8501 -5.87022 -37.6011 GPRESSAVG: 2079200 -5.76441 10.74 33.3447 10.3816 66.6013 -8.69622 33.8218 -6.17083 -37.3558 TIMING: 2079200 CPU: 6268.31, 0.00298051/step Wall: 6268.31, 0.00298051/step, 2.41818 hours remaining, 209.519531 MB of memory in use. ENERGY: 2079200 752.6234 2095.3743 1919.9641 113.3491 -206466.8124 18022.9087 0.0000 0.0000 34205.8247 -149356.7681 298.7280 -183562.5928 -149259.5016 298.0742 -11.1702 22.5313 558044.6763 7.7043 7.8270 PRESSURE: 2079400 35.3878 41.5237 112.909 41.5246 146.248 -190.172 112.91 -190.171 -59.5795 GPRESSURE: 2079400 64.9689 -44.1741 22.5316 171.876 120.259 -145.776 220.906 -265.779 24.1112 PRESSAVG: 2079400 11.3876 6.57412 -40.8878 6.57401 -7.67626 17.3455 -40.8878 17.3456 1.1408 GPRESSAVG: 2079400 10.3528 6.90447 -42.0112 6.30702 -6.38091 17.4077 -40.3014 19.5406 1.09357 TIMING: 2079400 CPU: 6268.9, 0.00296638/step Wall: 6268.9, 0.00296638/step, 2.40656 hours remaining, 209.519531 MB of memory in use. ENERGY: 2079400 727.8168 2056.5260 1948.9084 115.3524 -206069.6190 17741.4048 0.0000 0.0000 34045.4637 -149434.1470 297.3275 -183479.6107 -149334.6660 298.6739 40.6855 69.7796 557238.5706 1.6174 1.6885 PRESSURE: 2079600 -50.1261 -111.248 112.015 -111.248 -180.687 61.2487 112.014 61.2499 -99.2187 GPRESSURE: 2079600 -5.31114 -149.007 31.6534 -191.123 -132.824 -49.199 151.157 148.415 -83.2813 PRESSAVG: 2079600 -53.8443 -39.1597 63.547 -39.1596 37.6958 28.4415 63.5471 28.4415 33.0339 GPRESSAVG: 2079600 -52.8692 -40.1657 64.7004 -38.4975 37.4371 27.1676 63.8743 27.6998 32.38 TIMING: 2079600 CPU: 6269.5, 0.00296835/step Wall: 6269.5, 0.00296835/step, 2.40799 hours remaining, 209.519531 MB of memory in use. ENERGY: 2079600 762.6266 2181.2285 1952.0921 102.1377 -206363.1751 17688.2049 0.0000 0.0000 34254.6253 -149422.2600 299.1542 -183676.8852 -149321.9243 298.5223 -110.0106 -73.8054 556930.4028 5.6285 5.6493 PRESSURE: 2079800 -64.8228 21.9325 -26.9917 21.9334 -218.832 67.156 -26.9918 67.1559 130.909 GPRESSURE: 2079800 2.22352 21.5803 -49.2142 -24.1523 -153.542 163.32 -21.8968 -83.409 121.774 PRESSAVG: 2079800 3.21714 -29.5353 75.1052 -29.5353 -0.0506065 -0.17351 75.1051 -0.173576 24.124 GPRESSAVG: 2079800 3.55413 -28.6315 74.8985 -29.53 -0.733316 1.56466 74.3648 -0.79692 24.9022 TIMING: 2079800 CPU: 6270.09, 0.00298723/step Wall: 6270.09, 0.00298723/step, 2.42314 hours remaining, 209.519531 MB of memory in use. ENERGY: 2079800 750.5007 2123.2316 1955.9906 107.5930 -206812.6109 18041.1016 0.0000 0.0000 34350.1778 -149484.0156 299.9886 -183834.1933 -149393.5645 298.8071 -50.9150 -9.8481 556529.5620 9.0969 9.2410 PRESSURE: 2080000 -146.153 -40.0819 -11.1282 -40.083 47.5488 -143.958 -11.1279 -143.958 -9.78254 GPRESSURE: 2080000 -110.97 -89.1191 53.6886 60.2506 78.5968 -106.784 -92.9055 -95.8659 21.1518 PRESSAVG: 2080000 -45.8223 9.70588 35.4409 9.70584 -29.6719 6.67214 35.441 6.67205 66.9819 GPRESSAVG: 2080000 -45.1037 10.4343 36.2647 9.585 -29.6647 7.44945 35.0655 6.93609 66.9532 TIMING: 2080000 CPU: 6270.69, 0.00297611/step Wall: 6270.69, 0.00297611/step, 2.41396 hours remaining, 209.519531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2080000 748.8239 2151.9453 1931.2548 115.8870 -206366.4263 17789.0219 0.0000 0.0000 34070.5317 -149558.9616 297.5464 -183629.4933 -149465.0801 298.8869 -36.1290 -3.7406 557348.8154 -2.8374 -2.6051 PRESSURE: 2080200 -221.238 -167.908 -96.438 -167.909 -28.7531 60.5858 -96.4374 60.5859 -324.586 GPRESSURE: 2080200 -224.881 -133.325 -134.994 -212.497 43.229 11.6645 -37.0545 -0.107283 -285.589 PRESSAVG: 2080200 -0.573839 13.1899 -12.7539 13.19 19.1338 21.7699 -12.7539 21.77 4.72456 GPRESSAVG: 2080200 0.0370949 13.4637 -14.1332 13.6725 18.7591 21.1918 -11.439 20.6363 4.58402 TIMING: 2080200 CPU: 6271.29, 0.00298362/step Wall: 6271.29, 0.00298362/step, 2.41989 hours remaining, 209.519531 MB of memory in use. ENERGY: 2080200 761.9377 2093.8005 1933.9317 121.2592 -206145.5104 17675.1417 0.0000 0.0000 34036.0806 -149523.3589 297.2456 -183559.4395 -149416.9304 298.0307 -191.5257 -155.7469 558061.0363 7.7615 7.7934 LDB: ============= START OF LOAD BALANCING ============== 6274.8 LDB: ============== END OF LOAD BALANCING =============== 6274.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6274.8 LDB: ============= START OF LOAD BALANCING ============== 6275.11 LDB: Largest compute 4772 load 0.029303 is 24.8% of average load 0.118086 LDB: Average compute 0.001727 is 1.5% of average load 0.118086 LDB: TIME 6275.11 LOAD: AVG 0.118086 MAX 0.206793 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.246 MB LDB: TIME 6275.11 LOAD: AVG 0.118086 MAX 0.206793 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.316 MB LDB: TIME 6275.11 LOAD: AVG 0.118086 MAX 0.206793 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.316 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6275.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6275.12 PRESSURE: 2080400 44.9483 55.4589 -121.112 55.4584 -92.7431 -95.9914 -121.112 -95.9903 -30.866 GPRESSURE: 2080400 53.8581 162.4 -5.58069 -18.6045 -25.4984 -110.909 -175.02 -47.8566 -19.523 PRESSAVG: 2080400 17.2797 -10.4978 -15.4288 -10.4979 69.725 -17.8566 -15.4289 -17.8567 -67.2458 GPRESSAVG: 2080400 16.4733 -11.6973 -12.0517 -12.2007 70.4166 -17.2369 -18.1834 -17.7366 -67.4519 TIMING: 2080400 CPU: 6271.9, 0.00306049/step Wall: 6271.9, 0.00306049/step, 2.48206 hours remaining, 209.769531 MB of memory in use. ENERGY: 2080400 698.6153 2108.9700 1931.5646 105.4216 -206469.8191 17822.3439 0.0000 0.0000 34159.0854 -149643.8183 298.3198 -183802.9037 -149546.6654 297.7924 -26.2203 2.9456 557722.5307 6.5863 6.4793 PRESSURE: 2080600 -224.146 -89.6793 -11.0605 -89.6789 -136.182 112.334 -11.0612 112.336 174.317 GPRESSURE: 2080600 -183.264 -76.2021 12.7671 -132.307 -131.458 113.5 6.48032 114.823 223.628 PRESSAVG: 2080600 22.5024 -2.94457 2.839 -2.94456 28.2187 34.727 2.83903 34.7269 -49.9565 GPRESSAVG: 2080600 23.2227 -0.993561 0.540595 -4.00511 26.5034 34.9786 3.97454 34.225 -49.5553 TIMING: 2080600 CPU: 6272.5, 0.0030297/step Wall: 6272.5, 0.0030297/step, 2.45692 hours remaining, 209.914062 MB of memory in use. ENERGY: 2080600 759.0444 2090.7407 1941.8854 113.9312 -206048.1450 17703.3829 0.0000 0.0000 33914.2872 -149524.8731 296.1819 -183439.1604 -149428.4714 298.2028 -62.0035 -30.3648 557448.1518 0.2549 0.0570 PRESSURE: 2080800 -181.587 149.619 0.640078 149.62 26.1897 -68.3311 0.639161 -68.3301 -86.7608 GPRESSURE: 2080800 -143.357 89.9177 -74.6413 168.32 79.6485 -114.376 34.51 1.06988 -70.8869 PRESSAVG: 2080800 -8.37133 -48.4128 -27.6963 -48.4128 -31.152 49.1137 -27.6963 49.1136 1.66372 GPRESSAVG: 2080800 -8.41925 -49.8956 -28.3969 -45.0475 -29.8492 48.196 -27.6449 49.3697 0.633004 TIMING: 2080800 CPU: 6273.11, 0.00303177/step Wall: 6273.11, 0.00303177/step, 2.45843 hours remaining, 209.914062 MB of memory in use. ENERGY: 2080800 759.9717 2067.7781 1940.2682 120.0387 -206219.3296 17769.8038 0.0000 0.0000 34257.4632 -149304.0059 299.1789 -183561.4690 -149216.7638 298.2916 -80.7194 -44.8652 557424.8864 -12.6199 -12.5452 PRESSURE: 2081000 115.998 146.442 186.217 146.442 -120.704 -107.203 186.218 -107.203 -17.9698 GPRESSURE: 2081000 171.25 28.0369 188.411 181.221 -81.9815 -74.3012 113.648 -79.873 -10.0652 PRESSAVG: 2081000 36.1629 -4.01599 -1.74979 -4.01593 -45.9972 -78.3647 -1.74978 -78.3647 36.3427 GPRESSAVG: 2081000 34.9609 -2.514 -1.09225 -5.67297 -45.1631 -78.8241 -1.35185 -78.0032 36.7661 TIMING: 2081000 CPU: 6273.71, 0.00300403/step Wall: 6273.71, 0.00300403/step, 2.43577 hours remaining, 209.914062 MB of memory in use. ENERGY: 2081000 720.9809 2095.5003 1937.6653 105.0008 -205949.6178 17587.3102 0.0000 0.0000 34051.4435 -149451.7167 297.3797 -183503.1602 -149353.7700 298.9705 -7.5587 26.4010 556190.9825 8.8361 8.8547 PRESSURE: 2081200 -47.439 32.9276 -18.3675 32.9275 -208.786 -29.2696 -18.369 -29.2697 153.841 GPRESSURE: 2081200 82.3608 -3.10701 -46.9187 37.3051 -219.034 74.1877 -16.6647 -132.707 132.072 PRESSAVG: 2081200 -20.5653 4.33528 -27.872 4.33528 59.1412 0.960596 -27.872 0.960601 -2.10257 GPRESSAVG: 2081200 -20.7605 4.10763 -28.6335 3.92226 59.1214 1.2324 -27.3702 0.358696 -1.37779 TIMING: 2081200 CPU: 6274.32, 0.00306105/step Wall: 6274.32, 0.00306105/step, 2.48183 hours remaining, 209.914062 MB of memory in use. ENERGY: 2081200 774.6697 2079.4412 1978.3443 122.5681 -206446.1441 17926.4304 0.0000 0.0000 34020.6886 -149544.0018 297.1111 -183564.6904 -149447.3513 298.6888 -34.1280 -1.5339 555989.3059 12.1578 12.3277 PRESSURE: 2081400 -139.847 100.96 84.4747 100.959 -386.482 -59.0829 84.4754 -59.0822 -230.967 GPRESSURE: 2081400 -104.507 75.1681 -8.36707 114.386 -333.21 -171.109 148.384 0.726643 -209.42 PRESSAVG: 2081400 32.2928 29.3296 -68.3872 29.3296 -10.272 -21.2473 -68.3872 -21.2473 -48.511 GPRESSAVG: 2081400 32.6183 28.8164 -68.7852 30.0186 -11.1729 -21.2185 -66.9781 -20.2968 -48.176 TIMING: 2081400 CPU: 6274.94, 0.00307288/step Wall: 6274.94, 0.00307288/step, 2.49125 hours remaining, 209.914062 MB of memory in use. ENERGY: 2081400 778.7823 2084.5929 1921.3291 109.5497 -206202.3258 17651.7330 0.0000 0.0000 34143.4280 -149512.9110 298.1830 -183656.3390 -149418.6897 298.4017 -252.4321 -215.7124 558015.1241 -8.8300 -8.9102 PRESSURE: 2081600 -105.649 7.51529 -138.559 7.51525 -16.0548 -44.7501 -138.559 -44.7503 -74.1106 GPRESSURE: 2081600 -79.3573 -68.6066 -112.089 83.461 19.2009 -16.0819 -62.5546 -22.4137 -49.1242 PRESSAVG: 2081600 -8.085 -41.3966 9.90363 -41.3967 -71.8729 -0.118124 9.90365 -0.118072 35.1554 GPRESSAVG: 2081600 -8.28073 -41.778 12.5778 -40.0789 -70.6473 -2.40596 7.09362 1.67245 33.7205 TIMING: 2081600 CPU: 6275.54, 0.00302452/step Wall: 6275.54, 0.00302452/step, 2.45188 hours remaining, 209.914062 MB of memory in use. ENERGY: 2081600 726.9107 2092.2543 1969.1716 121.5006 -206180.2623 17745.0661 0.0000 0.0000 34083.7772 -149441.5819 297.6621 -183525.3591 -149342.2096 298.4144 -65.2714 -36.4268 557735.7169 -14.9342 -15.0692 PRESSURE: 2081800 -11.9734 4.83966 -137.258 4.84114 -161.502 100.759 -137.259 100.759 130.19 GPRESSURE: 2081800 -2.33853 -40.3626 -49.0649 64.4256 -97.5657 -12.5262 -192.832 138.841 159.418 PRESSAVG: 2081800 -28.0417 20.7111 -74.3615 20.7112 -26.0885 -15.8536 -74.3616 -15.8537 38.1248 GPRESSAVG: 2081800 -27.2535 20.9916 -74.0622 20.9957 -26.9232 -13.3546 -74.615 -17.468 38.3816 TIMING: 2081800 CPU: 6276.15, 0.0030099/step Wall: 6276.15, 0.0030099/step, 2.43986 hours remaining, 209.914062 MB of memory in use. ENERGY: 2081800 734.8844 2065.3881 1920.3285 102.4178 -206331.5487 17715.1781 0.0000 0.0000 34302.3881 -149490.9637 299.5713 -183793.3518 -149392.9559 298.9363 -14.4283 19.8381 557148.2516 -5.3351 -5.2650 PRESSURE: 2082000 71.0757 32.3895 86.839 32.389 -220.406 60.9636 86.8393 60.9645 -214.77 GPRESSURE: 2082000 153.893 8.79904 113.354 12.8917 -222.225 144.339 104.435 -4.71902 -198.32 PRESSAVG: 2082000 -48.7819 -1.0513 -27.7587 -1.05133 22.3416 16.2455 -27.7586 16.2455 72.5785 GPRESSAVG: 2082000 -49.2613 2.94241 -30.565 -5.14476 21.5004 16.5485 -27.3222 15.6163 74.1657 TIMING: 2082000 CPU: 6276.75, 0.00301954/step Wall: 6276.75, 0.00301954/step, 2.4475 hours remaining, 209.914062 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: 2082000 693.4639 2065.7394 1956.7182 109.8582 -205976.3468 17527.0566 0.0000 0.0000 34041.6108 -149581.8996 297.2939 -183623.5105 -149483.1380 298.9968 -121.3667 -88.8842 557631.5223 15.3794 15.4683 PRESSURE: 2082200 -337.881 38.5872 -30.7277 38.5871 -314.758 -57.8738 -30.7301 -57.8736 -11.6855 GPRESSURE: 2082200 -308.919 51.9258 -5.00706 67.3852 -278.002 -165.081 -60.5859 -54.5954 22.6032 PRESSAVG: 2082200 -14.3132 -5.7928 6.05738 -5.79277 -37.4256 -46.7816 6.05733 -46.7816 66.0334 GPRESSAVG: 2082200 -13.6863 -8.26496 8.04267 -4.73413 -36.541 -46.9378 5.70797 -46.1569 64.7279 TIMING: 2082200 CPU: 6277.35, 0.00301081/step Wall: 6277.35, 0.00301081/step, 2.44026 hours remaining, 209.914062 MB of memory in use. ENERGY: 2082200 724.0322 2054.9225 1939.3726 106.2566 -206030.9241 17556.4541 0.0000 0.0000 34226.1796 -149423.7066 298.9057 -183649.8862 -149331.3311 298.5114 -221.4415 -188.1060 558759.1418 4.7649 4.8335 PRESSURE: 2082400 110.995 81.4107 3.06571 81.4104 -139.352 -49.1618 3.06703 -49.1605 -33.7024 GPRESSURE: 2082400 169.635 134.677 43.3712 82.4173 -146.654 -89.534 30.1966 -70.0297 14.811 PRESSAVG: 2082400 -42.1957 -0.978996 -58.3908 -0.979008 22.2775 -2.44717 -58.3907 -2.44721 38.6309 GPRESSAVG: 2082400 -42.6152 -1.79199 -57.476 -0.219637 22.9044 -3.23123 -57.7401 -1.56886 38.6708 TIMING: 2082400 CPU: 6277.95, 0.00298358/step Wall: 6277.95, 0.00298358/step, 2.41803 hours remaining, 209.914062 MB of memory in use. ENERGY: 2082400 759.3235 2051.4945 1940.4570 109.9811 -206409.1413 17944.4368 0.0000 0.0000 33948.0051 -149655.4432 296.4764 -183603.4483 -149558.4834 297.7531 -20.6867 12.5973 557637.2223 6.2376 6.3200 PRESSURE: 2082600 -208.313 129.053 -5.83183 129.052 -318.272 149.136 -5.83172 149.136 42.7541 GPRESSURE: 2082600 -159.024 227.723 -61.7541 168.716 -254.713 197.408 16.9341 136.164 27.4825 PRESSAVG: 2082600 -18.7012 20.4207 -35.2024 20.4208 26.5525 35.4114 -35.2024 35.4114 25.6314 GPRESSAVG: 2082600 -18.3108 21.3304 -35.5438 20.5216 26.7108 36.1284 -34.9186 35.875 25.6501 TIMING: 2082600 CPU: 6278.55, 0.00299066/step Wall: 6278.55, 0.00299066/step, 2.4236 hours remaining, 209.914062 MB of memory in use. ENERGY: 2082600 747.6544 1997.5027 1955.0198 107.0653 -206043.7087 17532.5464 0.0000 0.0000 33931.6053 -149772.3148 296.3331 -183703.9202 -149668.5238 297.9205 -161.2770 -128.7516 556732.5681 11.1609 11.3500 PRESSURE: 2082800 -233.051 -46.8774 -6.36394 -46.8755 -323.733 -41.9814 -6.36159 -41.9823 -74.6111 GPRESSURE: 2082800 -164.39 -115.338 12.6009 -8.18055 -296.515 -110.569 -5.59546 -18.2856 -70.7197 PRESSAVG: 2082800 -24.7923 -14.1731 -11.0979 -14.1731 -34.2856 -33.824 -11.0979 -33.824 35.382 GPRESSAVG: 2082800 -24.4005 -16.168 -11.4524 -14.8327 -34.2559 -34.8779 -13.5134 -34.2859 35.162 TIMING: 2082800 CPU: 6279.15, 0.0029961/step Wall: 6279.15, 0.0029961/step, 2.42784 hours remaining, 209.914062 MB of memory in use. ENERGY: 2082800 774.8882 2024.5006 1962.7046 105.5801 -206399.9246 17576.1892 0.0000 0.0000 34214.5767 -149741.4851 298.8044 -183956.0618 -149645.3373 297.4980 -210.4651 -177.2083 555900.6025 -7.8986 -7.8314 PRESSURE: 2083000 -30.1741 -165.436 -65.9437 -165.437 -64.592 -38.4425 -65.9437 -38.4437 15.7951 GPRESSURE: 2083000 -41.4805 -171.121 -81.2824 -257.458 -48.415 -17.1232 -27.6296 -134.535 112.626 PRESSAVG: 2083000 20.9065 25.0762 -11.8382 25.0763 18.3374 -4.71338 -11.8381 -4.7134 -14.5575 GPRESSAVG: 2083000 20.3416 25.4661 -14.7782 27.2057 18.2625 -5.57081 -8.55042 -6.58879 -14.3729 TIMING: 2083000 CPU: 6279.75, 0.00301652/step Wall: 6279.75, 0.00301652/step, 2.44422 hours remaining, 209.914062 MB of memory in use. ENERGY: 2083000 748.6392 2035.6935 1956.7003 112.7342 -206615.1001 18026.0277 0.0000 0.0000 34144.5178 -149590.7875 298.1926 -183735.3053 -149493.1077 298.0198 -26.3236 7.5770 558257.8821 8.2288 8.0770 PRESSURE: 2083200 -66.9238 97.9578 2.56994 97.9564 -136.623 -49.3843 2.5703 -49.3836 -406.759 GPRESSURE: 2083200 28.9637 149.667 -2.3918 127.18 -176.495 -67.3291 26.2315 34.6016 -376.975 PRESSAVG: 2083200 -19.4016 -26.7605 36.3626 -26.7606 67.7256 -91.5368 36.3626 -91.5369 -13.6389 GPRESSAVG: 2083200 -18.4277 -26.0125 37.9092 -29.0284 66.6791 -91.5953 33.9817 -90.3967 -14.0479 TIMING: 2083200 CPU: 6280.35, 0.00299614/step Wall: 6280.35, 0.00299614/step, 2.42754 hours remaining, 209.914062 MB of memory in use. ENERGY: 2083200 741.9783 2068.6474 1929.4290 118.1062 -205885.8856 17560.6638 0.0000 0.0000 33995.1505 -149471.9105 296.8881 -183467.0609 -149377.4755 297.9539 -203.4355 -174.8356 558806.8196 11.5617 11.4012 PRESSURE: 2083400 19.2757 -110.845 162.846 -110.843 1.03101 59.4802 162.845 59.4829 74.8799 GPRESSURE: 2083400 87.9894 -166.006 247.905 -58.0886 27.2323 35.0284 95.5457 -17.5794 68.6108 PRESSAVG: 2083400 -8.3246 -4.94726 -4.48724 -4.94721 3.86162 -53.1295 -4.48728 -53.1295 -30.9878 GPRESSAVG: 2083400 -8.98977 -5.68113 -5.2263 -3.681 4.81659 -52.9035 -3.79667 -52.4872 -31.0737 TIMING: 2083400 CPU: 6280.95, 0.00302056/step Wall: 6280.95, 0.00302056/step, 2.44716 hours remaining, 209.914062 MB of memory in use. ENERGY: 2083400 720.3793 2022.0168 1938.4108 105.0957 -206415.1579 17890.9853 0.0000 0.0000 34152.1430 -149586.1271 298.2592 -183738.2701 -149487.8084 298.0052 31.7289 61.2775 556629.9033 -11.8169 -11.7490 PRESSURE: 2083600 141.606 -45.0195 108.409 -45.0203 -8.60726 -196.355 108.408 -196.355 -27.9818 GPRESSURE: 2083600 150.136 -13.6053 83.4448 -91.3044 22.3477 -167.706 54.1343 -168.781 28.1647 PRESSAVG: 2083600 33.9822 -15.7503 29.3386 -15.7504 -27.4831 -21.4214 29.3387 -21.4214 0.893396 GPRESSAVG: 2083600 32.4938 -15.6503 29.5791 -16.2257 -27.4229 -19.4074 29.8956 -22.8553 2.34224 TIMING: 2083600 CPU: 6281.56, 0.003034/step Wall: 6281.56, 0.003034/step, 2.45787 hours remaining, 209.914062 MB of memory in use. ENERGY: 2083600 769.6649 2128.1415 1916.9210 124.8771 -206509.7561 18027.3257 0.0000 0.0000 33996.7613 -149546.0648 296.9022 -183542.8260 -149457.6033 298.2877 35.0058 66.8827 556856.9449 2.4642 2.4711 PRESSURE: 2083800 79.4511 5.87344 -30.3205 5.87226 -31.6803 -41.2403 -30.3227 -41.2416 60.0798 GPRESSURE: 2083800 36.2929 -13.5623 -2.40914 4.93659 102.827 -78.7385 -5.16117 -90.4064 82.1485 PRESSAVG: 2083800 67.9295 34.5514 1.38075 34.5515 -25.6035 -16.065 1.38074 -16.065 -17.6294 GPRESSAVG: 2083800 68.1894 36.3681 1.63937 34.1187 -25.7207 -17.0716 1.27276 -14.8075 -17.1611 TIMING: 2083800 CPU: 6282.17, 0.00303664/step Wall: 6282.17, 0.00303664/step, 2.45984 hours remaining, 209.914062 MB of memory in use. ENERGY: 2083800 716.3990 2012.0911 1928.2667 109.1186 -206231.0616 17810.6528 0.0000 0.0000 34113.0392 -149541.4943 297.9177 -183654.5335 -149450.8305 298.5699 35.9502 73.7561 558386.1960 8.2322 8.4359 PRESSURE: 2084000 -8.18237 100.722 7.65463 100.722 -171.699 19.6357 7.65546 19.6345 125.157 GPRESSURE: 2084000 121.134 48.6075 -49.1172 130.583 -172.229 -1.15703 55.4764 117.865 85.4951 PRESSAVG: 2084000 63.9645 10.9889 38.0419 10.9888 -4.95479 32.0817 38.0418 32.0817 -51.742 GPRESSAVG: 2084000 64.2527 8.99708 36.9868 11.3059 -6.34235 30.606 36.7859 31.7224 -51.1362 TIMING: 2084000 CPU: 6282.77, 0.0030184/step Wall: 6282.77, 0.0030184/step, 2.44491 hours remaining, 209.914062 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: 2084000 757.0985 2049.0921 1942.2333 106.0557 -206400.3178 17809.5948 0.0000 0.0000 34276.1984 -149460.0449 299.3426 -183736.2432 -149367.8408 298.2935 -18.2414 11.4664 558616.0798 2.4226 2.2580 PRESSURE: 2084200 244.12 170.602 79.6566 170.602 158.459 -222.463 79.657 -222.464 257.457 GPRESSURE: 2084200 312.864 139.546 65.6485 167.546 154.182 -233.771 71.0641 -174.478 290.025 PRESSAVG: 2084200 8.9322 44.3075 -16.2598 44.3075 -49.1846 -36.7219 -16.2599 -36.7219 89.283 GPRESSAVG: 2084200 9.70795 44.7644 -16.2814 44.9613 -49.1611 -33.6659 -14.0011 -37.9995 88.8836 TIMING: 2084200 CPU: 6283.37, 0.00301664/step Wall: 6283.37, 0.00301664/step, 2.44331 hours remaining, 209.914062 MB of memory in use. ENERGY: 2084200 720.9652 2023.9878 1913.3091 102.1447 -206827.6052 18242.0574 0.0000 0.0000 34230.6921 -149594.4489 298.9451 -183825.1410 -149490.0700 298.5230 220.0119 252.3568 558448.4229 16.3435 16.4768 LDB: ============= START OF LOAD BALANCING ============== 6286.89 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6286.89 LDB: =============== DONE WITH MIGRATION ================ 6286.89 LDB: ============= START OF LOAD BALANCING ============== 6287.2 LDB: Largest compute 4772 load 0.028569 is 24.2% of average load 0.118064 LDB: Average compute 0.001721 is 1.5% of average load 0.118064 LDB: TIME 6287.2 LOAD: AVG 0.118064 MAX 0.205135 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.766 MB LDB: TIME 6287.2 LOAD: AVG 0.118064 MAX 0.205135 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.969 MB LDB: TIME 6287.2 LOAD: AVG 0.118064 MAX 0.205135 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.969 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6287.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6287.21 PRESSURE: 2084400 -93.2641 -7.65942 -154.443 -7.65871 -171.669 217.676 -154.443 217.677 -61.961 GPRESSURE: 2084400 -78.0735 -14.2197 -126.6 -80.8737 -102.281 158.236 -156.243 196.928 -40.3933 PRESSAVG: 2084400 5.64931 13.5106 -4.07758 13.5105 -63.2331 -34.3422 -4.07758 -34.3422 32.7549 GPRESSAVG: 2084400 5.54278 15.7765 -4.40242 12.7645 -62.2367 -36.619 -5.56821 -32.7389 31.9947 TIMING: 2084400 CPU: 6283.99, 0.00307779/step Wall: 6283.99, 0.00307779/step, 2.49266 hours remaining, 209.515625 MB of memory in use. ENERGY: 2084400 781.7741 2086.6954 1959.4326 113.6002 -206440.5521 17843.8738 0.0000 0.0000 34230.7128 -149424.4632 298.9453 -183655.1760 -149333.6692 298.4156 -108.9646 -73.5826 558403.1870 -8.2763 -8.2331 PRESSURE: 2084600 -66.808 -83.2922 -166.523 -83.2912 -198.376 37.5836 -166.523 37.5825 -78.6151 GPRESSURE: 2084600 -124.722 -34.1968 -223.938 -66.604 -77.6376 170.201 -67.181 -0.291478 -53.6379 PRESSAVG: 2084600 -1.78319 8.82588 -44.6131 8.82585 -50.4702 -16.5923 -44.6131 -16.5924 26.1184 GPRESSAVG: 2084600 -2.35224 9.40405 -43.5104 8.60323 -50.0751 -17.1699 -46.6508 -16.7725 25.8278 TIMING: 2084600 CPU: 6284.59, 0.00300743/step Wall: 6284.59, 0.00300744/step, 2.43552 hours remaining, 209.718750 MB of memory in use. ENERGY: 2084600 732.2772 2117.0055 1936.4227 124.0642 -206059.7079 17605.1911 0.0000 0.0000 34093.2386 -149451.5086 297.7447 -183544.7472 -149356.9837 298.6406 -114.5999 -85.3325 559100.8908 -8.7117 -8.8665 PRESSURE: 2084800 -28.959 100.402 338.783 100.402 -20.6274 104.878 338.783 104.879 -124.378 GPRESSURE: 2084800 5.87433 87.619 253.003 99.1192 91.4137 191.799 414.14 14.8433 -171.427 PRESSAVG: 2084800 17.3018 -17.1609 4.58414 -17.1609 -29.5114 40.3798 4.5841 40.3798 24.2697 GPRESSAVG: 2084800 16.4523 -20.1068 4.32927 -15.8183 -30.6197 41.1072 7.09673 40.2634 25.8961 TIMING: 2084800 CPU: 6285.19, 0.00299623/step Wall: 6285.19, 0.00299623/step, 2.42628 hours remaining, 209.718750 MB of memory in use. ENERGY: 2084800 721.1071 2121.2830 1925.1933 105.3192 -206258.7991 17877.1510 0.0000 0.0000 34050.9365 -149457.8090 297.3753 -183508.7455 -149364.0943 298.6301 -57.9882 -24.7128 558211.0769 4.0200 3.9096 PRESSURE: 2085000 -101.665 39.1572 48.9297 39.1578 -52.6229 -99.8467 48.9301 -99.8471 137.959 GPRESSURE: 2085000 -113.744 84.3233 37.5341 59.9903 26.8505 -49.9579 47.5819 -159.779 176.534 PRESSAVG: 2085000 -6.26924 -45.8358 -17.028 -45.8358 63.5516 -17.1566 -17.028 -17.1567 -41.5344 GPRESSAVG: 2085000 -5.20403 -45.1746 -15.9052 -46.0944 63.2126 -17.5297 -19.1918 -17.6149 -41.9415 TIMING: 2085000 CPU: 6285.79, 0.00300817/step Wall: 6285.79, 0.00300817/step, 2.43578 hours remaining, 209.718750 MB of memory in use. ENERGY: 2085000 791.1055 2076.5045 1935.9972 114.4516 -206288.0318 17858.5685 0.0000 0.0000 34163.0255 -149348.3790 298.3542 -183511.4045 -149265.1330 298.1913 -5.4430 29.8802 557015.9556 5.2493 5.3557 PRESSURE: 2085200 27.613 32.6128 -50.7392 32.613 80.9557 -111.643 -50.7403 -111.643 114.846 GPRESSURE: 2085200 59.8651 89.3879 -92.2548 -30.6947 63.4863 -113.164 -78.1453 -130.984 198.745 PRESSAVG: 2085200 10.3331 21.2908 -13.012 21.2908 -31.9628 -9.33401 -13.012 -9.3341 51.8419 GPRESSAVG: 2085200 10.7786 22.0827 -12.987 20.5515 -31.8374 -10.0258 -11.1375 -7.58955 51.1243 TIMING: 2085200 CPU: 6286.39, 0.00300352/step Wall: 6286.39, 0.00300352/step, 2.43185 hours remaining, 209.718750 MB of memory in use. ENERGY: 2085200 759.9855 2108.8734 1936.7850 104.7203 -206365.9954 17822.5557 0.0000 0.0000 34275.1419 -149357.9335 299.3333 -183633.0754 -149264.1129 299.2603 74.4716 107.3655 555456.8676 10.0708 10.0218 PRESSURE: 2085400 -31.7615 -8.28155 78.7382 -8.28184 13.7747 135.851 78.7378 135.852 -93.6651 GPRESSURE: 2085400 57.6863 -73.4287 127.24 14.8452 30.5918 210.747 101.815 64.1754 -103.613 PRESSAVG: 2085400 -45.4927 22.5151 11.6003 22.5151 44.9662 -14.4433 11.6003 -14.4434 0.182483 GPRESSAVG: 2085400 -45.2928 23.659 11.376 22.4701 45.1074 -13.5499 7.40733 -16.2843 0.19183 TIMING: 2085400 CPU: 6287, 0.00302127/step Wall: 6287, 0.00302127/step, 2.44605 hours remaining, 209.718750 MB of memory in use. ENERGY: 2085400 797.8615 2058.9281 1930.3111 113.0678 -206282.0078 17728.1272 0.0000 0.0000 34195.1361 -149458.5760 298.6346 -183653.7121 -149358.7215 298.8800 -37.2173 -5.1116 556469.7432 -0.1147 0.0021 PRESSURE: 2085600 -104.96 74.0252 53.0228 74.0268 -74.9465 19.1974 53.0229 19.197 -44.2422 GPRESSURE: 2085600 -68.9667 15.1876 -5.37797 92.57 -49.921 59.5617 95.3979 -54.6405 5.89987 PRESSAVG: 2085600 -9.0973 4.05728 -6.78722 4.05728 55.2362 -2.64926 -6.78728 -2.64927 -13.2296 GPRESSAVG: 2085600 -10.5858 2.91848 -5.21704 5.92636 55.198 -2.21201 -4.86277 -2.87232 -12.5428 TIMING: 2085600 CPU: 6287.6, 0.00300471/step Wall: 6287.6, 0.00300471/step, 2.43248 hours remaining, 209.789062 MB of memory in use. ENERGY: 2085600 770.4149 2058.3882 1922.7329 107.4104 -206387.7873 17788.2034 0.0000 0.0000 34243.1429 -149497.4946 299.0539 -183740.6375 -149400.8586 299.3804 -74.7162 -37.6626 557160.4313 10.9698 10.6898 PRESSURE: 2085800 -207.919 44.9254 90.8116 44.9256 -201.485 -33.3043 90.8121 -33.3047 115.291 GPRESSURE: 2085800 -165.678 25.6444 73.379 21.0644 -163.59 -57.587 67.7058 -69.3842 138.885 PRESSAVG: 2085800 35.7815 7.36455 6.61373 7.36462 -72.6486 9.84479 6.61383 9.84476 -0.183993 GPRESSAVG: 2085800 37.3363 7.3105 5.62239 7.86742 -72.7827 10.1901 8.80016 9.51405 -0.997192 TIMING: 2085800 CPU: 6288.2, 0.00299569/step Wall: 6288.2, 0.00299569/step, 2.42501 hours remaining, 209.789062 MB of memory in use. ENERGY: 2085800 762.3965 2045.6761 1957.7328 109.2940 -206310.6328 17744.3719 0.0000 0.0000 34206.2870 -149484.8744 298.7320 -183691.1614 -149383.3101 298.2789 -98.0378 -63.4611 557975.8671 -12.3503 -12.1479 PRESSURE: 2086000 -300.406 -248.099 43.3668 -248.099 -136.308 44.195 43.3677 44.1955 7.99006 GPRESSURE: 2086000 -194.461 -199.05 63.6339 -255.57 -100.282 88.191 106.21 -11.1131 -40.0471 PRESSAVG: 2086000 -11.2619 -27.1226 -27.018 -27.1226 -48.4228 15.4918 -27.018 15.492 14.8502 GPRESSAVG: 2086000 -11.6679 -25.274 -25.7429 -29.5027 -47.4284 13.047 -30.2808 16.298 14.5399 TIMING: 2086000 CPU: 6288.8, 0.00301494/step Wall: 6288.8, 0.00301494/step, 2.44043 hours remaining, 209.789062 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: 2086000 729.1405 2146.6776 1934.5175 111.3156 -206282.0962 17774.5992 0.0000 0.0000 34230.4385 -149355.4073 298.9429 -183585.8458 -149265.1085 298.5813 -142.9078 -111.5967 557547.7384 -14.9448 -14.8522 PRESSURE: 2086200 58.4528 -138.365 54.3794 -138.364 -7.21875 -87.1928 54.3799 -87.1941 -168.493 GPRESSURE: 2086200 20.8646 -158.396 96.4946 -126.978 66.5726 -108.348 60.4934 -58.7015 -92.6323 PRESSAVG: 2086200 -18.9177 7.20637 50.0588 7.20644 -32.4668 33.6466 50.0588 33.6466 -9.23664 GPRESSAVG: 2086200 -21.3314 5.16169 50.1706 9.58461 -31.1806 35.6159 50.7969 31.9866 -7.7795 TIMING: 2086200 CPU: 6289.41, 0.00303614/step Wall: 6289.41, 0.00303614/step, 2.45742 hours remaining, 209.789062 MB of memory in use. ENERGY: 2086200 738.4454 2119.6659 1898.0462 103.5431 -206416.5848 17876.0975 0.0000 0.0000 34323.4091 -149357.3776 299.7549 -183680.7867 -149259.6425 298.6245 -39.0862 -1.7317 558215.4904 -20.2071 -20.0972 PRESSURE: 2086400 262.528 -208.013 -19.1728 -208.015 -331.044 55.4783 -19.1735 55.4765 61.712 GPRESSURE: 2086400 269.541 -193.62 9.47377 -219.472 -216.269 143.461 -25.5696 35.8945 39.8531 PRESSAVG: 2086400 29.1222 -58.8934 9.0949 -58.8934 -21.3446 28.4089 9.09485 28.409 10.9204 GPRESSAVG: 2086400 30.3062 -59.1049 9.03017 -61.7922 -21.3656 27.4645 8.68577 30.6142 10.2743 TIMING: 2086400 CPU: 6290.01, 0.00303125/step Wall: 6290.01, 0.00303125/step, 2.45329 hours remaining, 209.789062 MB of memory in use. ENERGY: 2086400 755.5552 2106.3690 1966.3177 123.6952 -206529.5548 17861.4385 0.0000 0.0000 34316.0794 -149400.0997 299.6909 -183716.1791 -149306.8253 299.1549 -2.2679 31.0416 557354.2025 6.2327 6.4049 PRESSURE: 2086600 344.947 29.6283 -78.427 29.6283 -68.1721 10.8453 -78.4286 10.8442 33.0907 GPRESSURE: 2086600 346.702 -62.1698 -88.0609 40.3244 -21.1784 30.5751 -22.5358 33.3229 89.445 PRESSAVG: 2086600 -25.7962 -76.5888 9.92004 -76.5889 -11.6592 -10.6345 9.92006 -10.6346 9.77597 GPRESSAVG: 2086600 -24.3631 -76.217 9.02925 -75.5829 -12.6726 -10.4323 10.7239 -10.8412 8.83801 TIMING: 2086600 CPU: 6290.62, 0.00301096/step Wall: 6290.62, 0.00301096/step, 2.4367 hours remaining, 209.789062 MB of memory in use. ENERGY: 2086600 751.2066 2129.9357 1936.2982 116.1597 -206797.3517 18246.6557 0.0000 0.0000 34297.3710 -149319.7247 299.5275 -183617.0957 -149218.2867 298.5478 103.2886 138.3228 558442.5992 -9.2265 -9.3992 PRESSURE: 2086800 -152.783 -96.3424 41.2709 -96.3429 47.5813 -37.2107 41.2716 -37.2093 -222.043 GPRESSURE: 2086800 -110.321 -104.626 61.0678 -128.911 77.9076 -4.81551 29.6214 -105.708 -211.003 PRESSAVG: 2086800 -19.7649 -23.1615 -16.8084 -23.1616 31.9294 -10.1251 -16.8084 -10.125 -31.1329 GPRESSAVG: 2086800 -19.6193 -23.104 -18.0723 -23.9626 31.9118 -9.73713 -16.759 -10.4612 -30.7711 TIMING: 2086800 CPU: 6291.22, 0.00302123/step Wall: 6291.22, 0.00302123/step, 2.44485 hours remaining, 209.789062 MB of memory in use. ENERGY: 2086800 731.8708 2136.5995 1939.7451 118.9999 -206312.4111 17800.8487 0.0000 0.0000 34148.6328 -149435.7144 298.2285 -183584.3472 -149339.0506 298.5103 -109.0816 -81.1389 559975.5141 -6.3228 -6.1595 PRESSURE: 2087000 -101.707 103.136 -84.615 103.136 -180.097 -7.59597 -84.6139 -7.59504 82.9586 GPRESSURE: 2087000 -80.0173 110.949 -2.04666 130.144 -120.488 15.2654 -124.056 44.1656 102.735 PRESSAVG: 2087000 -18.8281 -48.4317 -8.34965 -48.4316 87.1993 6.28452 -8.34972 6.28446 -17.1496 GPRESSAVG: 2087000 -17.9963 -48.7459 -7.19746 -47.3553 87.4141 5.38125 -9.86651 7.35308 -18.0981 TIMING: 2087000 CPU: 6291.83, 0.00304343/step Wall: 6291.83, 0.00304343/step, 2.46264 hours remaining, 209.789062 MB of memory in use. ENERGY: 2087000 728.8539 2159.1453 1944.1989 104.1269 -206214.6328 17658.1477 0.0000 0.0000 34397.4048 -149222.7554 300.4011 -183620.1602 -149125.7301 298.9744 -66.2818 -32.5902 558076.3488 17.0738 17.1065 PRESSURE: 2087200 34.8668 48.1464 -94.4981 48.1465 51.3658 -195.118 -94.4976 -195.117 -225.829 GPRESSURE: 2087200 -5.16189 97.4005 -37.8389 51.1288 125.671 -234.04 -79.589 -82.4942 -154.792 PRESSAVG: 2087200 0.82909 -14.0572 -52.4607 -14.0572 14.1393 7.05454 -52.4607 7.05465 -32.7971 GPRESSAVG: 2087200 -1.22869 -12.9742 -53.8679 -13.6734 14.7441 7.88004 -49.6909 5.48696 -31.1162 TIMING: 2087200 CPU: 6292.42, 0.00298224/step Wall: 6292.42, 0.00298224/step, 2.41296 hours remaining, 209.789062 MB of memory in use. ENERGY: 2087200 760.7024 2069.7112 1926.8821 114.9528 -205857.0765 17642.9597 0.0000 0.0000 34203.7081 -149138.1602 298.7095 -183341.8682 -149041.4792 300.4261 -46.5321 -11.4276 556625.9727 -5.9429 -5.8669 PRESSURE: 2087400 -244.025 -55.223 -19.2125 -55.2217 -199.034 -7.20542 -19.2124 -7.20759 -221.438 GPRESSURE: 2087400 -234.883 -58.5277 25.0769 -50.4735 -154.995 -32.5156 -67.3643 -9.06986 -169.037 PRESSAVG: 2087400 41.2627 -35.6121 -25.3464 -35.612 21.731 -17.0973 -25.3464 -17.0974 -42.024 GPRESSAVG: 2087400 42.3687 -36.1073 -23.9127 -36.4023 21.7493 -17.64 -26.5373 -16.2791 -43.2716 TIMING: 2087400 CPU: 6293.03, 0.00301608/step Wall: 6293.03, 0.00301608/step, 2.44018 hours remaining, 209.789062 MB of memory in use. ENERGY: 2087400 741.2930 2098.5602 1949.1057 118.9865 -206157.6159 17647.1902 0.0000 0.0000 34483.1430 -149119.3373 301.1499 -183602.4803 -149035.2406 299.4625 -221.4989 -186.3049 558124.5581 6.9899 6.9488 PRESSURE: 2087600 -381.686 44.6514 61.7461 44.6519 234.676 9.94997 61.7448 9.95118 -4.07479 GPRESSURE: 2087600 -357.073 13.9773 7.8398 124.939 251.821 62.6396 86.4199 54.4637 38.7733 PRESSAVG: 2087600 -50.9629 2.29319 6.62177 2.29315 68.1206 5.76855 6.62178 5.76855 -23.9808 GPRESSAVG: 2087600 -52.0448 2.46667 5.02688 1.54782 67.9709 5.2618 7.02362 6.8837 -22.628 TIMING: 2087600 CPU: 6293.63, 0.00299236/step Wall: 6293.63, 0.00299236/step, 2.42082 hours remaining, 209.789062 MB of memory in use. ENERGY: 2087600 751.0666 2115.4420 1945.1532 111.4102 -205890.9588 17691.0117 0.0000 0.0000 34307.3318 -148969.5434 299.6145 -183276.8752 -148873.0355 300.0472 -50.3614 -22.1598 558196.1699 -2.2744 -2.2340 PRESSURE: 2087800 201.504 3.14796 104.659 3.14776 15.1486 73.7992 104.659 73.8001 -78.1032 GPRESSURE: 2087800 255.236 35.7172 1.56081 37.2571 28.3565 95.6 126.57 42.5795 -54.1123 PRESSAVG: 2087800 -11.5037 59.1034 15.8149 59.1034 -29.8737 -34.6886 15.815 -34.6886 38.6463 GPRESSAVG: 2087800 -10.1206 59.5164 16.6994 60.9533 -29.5606 -34.3055 16.4658 -34.8392 36.9364 TIMING: 2087800 CPU: 6294.23, 0.00299857/step Wall: 6294.23, 0.00299857/step, 2.42568 hours remaining, 209.789062 MB of memory in use. ENERGY: 2087800 696.6475 2168.4071 1954.5880 107.4231 -205962.2890 17821.2141 0.0000 0.0000 34375.3518 -148838.6573 300.2085 -183214.0091 -148740.6614 300.3359 46.1833 76.4933 556934.5535 -0.9104 -0.9149 PRESSURE: 2088000 -54.5647 146.563 -77.2831 146.564 65.2002 -100.158 -77.2835 -100.156 181.127 GPRESSURE: 2088000 53.2121 142.754 -70.8407 74.1916 23.6197 -136.216 0.780872 -143.054 208.059 PRESSAVG: 2088000 -2.51382 68.9766 22.3316 68.9766 34.4867 -35.0898 22.3316 -35.0897 29.3309 GPRESSAVG: 2088000 -3.9874 68.9233 22.1691 67.8589 34.827 -34.7911 21.5373 -35.9823 30.389 TIMING: 2088000 CPU: 6294.83, 0.00301602/step Wall: 6294.83, 0.00301602/step, 2.43963 hours remaining, 209.789062 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: 2088000 731.8238 2111.9215 1920.1268 101.1052 -205840.4690 17771.9519 0.0000 0.0000 34494.7254 -148708.8144 301.2510 -183203.5397 -148609.2565 300.4362 63.9210 94.9636 557699.0914 20.4346 20.4096 PRESSURE: 2088200 -180.236 -86.7888 132.358 -86.789 -31.3088 -8.37994 132.358 -8.38119 -146.743 GPRESSURE: 2088200 -127.256 -82.7367 89.78 -101.847 -14.6722 2.47276 166.511 65.0837 -117.582 PRESSAVG: 2088200 -10.5547 29.8714 -31.1191 29.8715 19.903 -26.0967 -31.119 -26.0969 -0.236247 GPRESSAVG: 2088200 -8.96618 30.4111 -29.7222 31.6752 19.072 -25.6068 -31.9986 -25.065 -1.57297 TIMING: 2088200 CPU: 6295.43, 0.00300266/step Wall: 6295.43, 0.00300266/step, 2.42865 hours remaining, 209.789062 MB of memory in use. ENERGY: 2088200 749.4116 2124.2457 1937.1540 101.1718 -205677.2953 17577.0370 0.0000 0.0000 34466.7995 -148721.4757 301.0071 -183188.2752 -148627.2503 300.6132 -119.4291 -86.5033 557747.3167 3.0373 2.8443 LDB: ============= START OF LOAD BALANCING ============== 6298.95 LDB: ============== END OF LOAD BALANCING =============== 6298.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6298.95 LDB: ============= START OF LOAD BALANCING ============== 6299.25 LDB: Largest compute 4772 load 0.029558 is 25.0% of average load 0.118016 LDB: Average compute 0.001724 is 1.5% of average load 0.118016 LDB: TIME 6299.25 LOAD: AVG 0.118016 MAX 0.207353 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.969 MB LDB: TIME 6299.25 LOAD: AVG 0.118016 MAX 0.207353 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.039 MB LDB: TIME 6299.25 LOAD: AVG 0.118016 MAX 0.207353 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.039 MB LDB: ============== END OF LOAD BALANCING =============== 6299.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6299.26 PRESSURE: 2088400 -40.1943 -93.9986 -100.317 -94.0004 -293.247 -52.0322 -100.318 -52.0332 341.384 GPRESSURE: 2088400 47.0631 -105.057 -106.312 -71.5523 -268.839 -96.6873 -102.687 -75.1873 323.396 PRESSAVG: 2088400 -11.6807 6.35731 8.14609 6.35727 -3.40478 -27.7894 8.14613 -27.7895 -21.2106 GPRESSAVG: 2088400 -11.5124 6.51094 8.95222 5.25648 -3.28177 -28.2657 6.1667 -28.8956 -21.1637 TIMING: 2088400 CPU: 6296.04, 0.00307305/step Wall: 6296.04, 0.00307305/step, 2.48542 hours remaining, 208.757812 MB of memory in use. ENERGY: 2088400 720.2170 2089.8308 1916.2767 116.3535 -205640.8746 17702.5273 0.0000 0.0000 34425.3310 -148670.3383 300.6450 -183095.6693 -148573.0467 301.3066 2.6474 33.8732 557257.4634 -12.0987 -11.9859 PRESSURE: 2088600 40.4674 73.145 64.8512 73.1444 -20.66 21.4223 64.8515 21.4213 109.733 GPRESSURE: 2088600 75.9316 -31.2795 23.0324 159.183 50.2222 43.2939 206.779 51.2667 116.37 PRESSAVG: 2088600 -1.60068 -9.81525 -36.6454 -9.81521 15.8128 27.1637 -36.6454 27.1637 19.7515 GPRESSAVG: 2088600 -1.34774 -10.0784 -37.1755 -10.5466 14.7777 26.1674 -33.0775 28.4952 20.5993 TIMING: 2088600 CPU: 6296.64, 0.00298529/step Wall: 6296.64, 0.00298529/step, 2.41427 hours remaining, 208.757812 MB of memory in use. ENERGY: 2088600 729.3576 2034.4737 1946.4659 98.7533 -205897.9365 17778.7532 0.0000 0.0000 34384.3872 -148925.7455 300.2874 -183310.1327 -148829.8598 301.1277 43.1800 80.8413 557082.7798 11.3212 11.3431 PRESSURE: 2088800 64.0189 -98.3226 -114.41 -98.3222 -91.291 -71.646 -114.411 -71.6467 -146.066 GPRESSURE: 2088800 126.335 -137.272 -122.668 -38.2777 -50.8662 -41.2606 -137.366 -86.8802 -148.622 PRESSAVG: 2088800 39.0217 19.4499 -55.5822 19.4499 15.1038 23.2065 -55.5823 23.2066 -82.0619 GPRESSAVG: 2088800 38.1833 19.2695 -54.6737 20.279 15.595 24.3307 -57.3578 21.8971 -82.2846 TIMING: 2088800 CPU: 6297.24, 0.00298402/step Wall: 6297.24, 0.00298402/step, 2.41308 hours remaining, 208.757812 MB of memory in use. ENERGY: 2088800 726.4742 2045.1309 1958.4974 106.8697 -206071.9837 17765.3329 0.0000 0.0000 34294.7004 -149174.9783 299.5041 -183469.6787 -149077.2785 299.2477 -57.7795 -24.3844 556208.6513 -9.3121 -9.5021 PRESSURE: 2089000 -203.145 136.81 42.3582 136.811 -209.355 8.32342 42.3579 8.32248 -391.97 GPRESSURE: 2089000 -177.738 238.609 -77.8841 113.377 -225.221 -6.07565 46.0807 9.15343 -315.347 PRESSAVG: 2089000 90.0734 14.4743 -6.63 14.4743 4.48347 -76.3671 -6.62992 -76.3673 -113.981 GPRESSAVG: 2089000 89.2928 12.936 -7.61521 14.5157 5.36434 -76.2803 -7.5117 -75.5445 -113.974 TIMING: 2089000 CPU: 6297.84, 0.00298591/step Wall: 6297.84, 0.00298591/step, 2.41444 hours remaining, 208.757812 MB of memory in use. ENERGY: 2089000 734.1589 2071.3010 1923.7453 118.7074 -205814.9848 17351.9581 0.0000 0.0000 34118.7618 -149496.3523 297.9676 -183615.1141 -149401.5078 298.9049 -268.1566 -239.4356 559362.8141 -6.4746 -6.4389 PRESSURE: 2089200 62.5061 125.422 57.7392 125.422 -37.0679 239.457 57.7381 239.455 95.5744 GPRESSURE: 2089200 123.284 159.048 148.601 79.013 -17.0354 285.165 36.0396 190.829 108.384 PRESSAVG: 2089200 26.2154 37.6342 20.7873 37.6341 -59.3157 24.2091 20.7874 24.2092 18.6732 GPRESSAVG: 2089200 27.467 38.0862 21.6127 38.1467 -59.8718 24.2567 20.8687 24.5273 17.9788 TIMING: 2089200 CPU: 6298.44, 0.00299961/step Wall: 6298.44, 0.00299961/step, 2.42535 hours remaining, 208.757812 MB of memory in use. ENERGY: 2089200 734.8346 2116.8020 1912.9247 107.9069 -206534.9985 17955.7801 0.0000 0.0000 34079.8777 -149626.8724 297.6280 -183706.7501 -149534.6002 297.9098 40.3375 71.5439 557740.9654 -4.8090 -4.8086 PRESSURE: 2089400 -91.9371 112.811 116.898 112.811 5.41918 22.1377 116.899 22.1382 -84.8913 GPRESSURE: 2089400 -80.537 152.519 36.5335 129.767 19.9661 81.32 122.092 1.79511 -17.0205 PRESSAVG: 2089400 17.9347 17.1958 20.0637 17.1958 -41.1921 62.475 20.0637 62.4749 -0.379279 GPRESSAVG: 2089400 17.3517 16.9344 17.8099 17.212 -41.0781 62.2549 20.7635 61.5137 -0.108229 TIMING: 2089400 CPU: 6299.04, 0.00301181/step Wall: 6299.04, 0.00301181/step, 2.43505 hours remaining, 208.757812 MB of memory in use. ENERGY: 2089400 703.5471 2070.4252 1947.4663 117.0868 -206459.8090 17699.7064 0.0000 0.0000 34277.8079 -149643.7694 299.3566 -183921.5772 -149546.3338 297.8033 -57.1364 -25.8638 556252.0419 -7.8789 -7.9449 PRESSURE: 2089600 110.884 38.082 41.105 38.0824 -78.63 28.5979 41.1044 28.5985 -71.2205 GPRESSURE: 2089600 189.092 -2.72602 27.5753 136.31 -107.707 51.4204 -4.60361 -43.644 -35.496 PRESSAVG: 2089600 45.275 -59.3893 29.3875 -59.3893 12.8729 21.2242 29.3877 21.2243 -47.4522 GPRESSAVG: 2089600 45.5882 -60.018 31.7729 -59.4033 12.7266 20.2398 28.092 21.5925 -46.9691 TIMING: 2089600 CPU: 6299.63, 0.0029831/step Wall: 6299.63, 0.0029831/step, 2.41167 hours remaining, 208.757812 MB of memory in use. ENERGY: 2089600 738.2912 2074.0240 1950.6048 113.2853 -206479.6841 17823.4385 0.0000 0.0000 34330.0737 -149449.9666 299.8131 -183780.0403 -149351.9483 298.2613 -12.9887 15.2963 556805.5986 3.5652 3.7819 PRESSURE: 2089800 -7.65766 57.7537 -59.7439 57.7521 32.9713 0.888039 -59.7432 0.887948 198.386 GPRESSURE: 2089800 -48.6826 63.9857 -42.3683 7.10556 127.54 -97.4117 -43.2138 81.0994 238.921 PRESSAVG: 2089800 11.5056 -13.0128 2.07375 -13.0128 -5.46092 29.5863 2.07377 29.5863 7.59209 GPRESSAVG: 2089800 12.4941 -12.7454 1.77781 -13.2894 -5.35215 28.0564 2.73256 32.4967 5.98103 TIMING: 2089800 CPU: 6300.23, 0.00297835/step Wall: 6300.23, 0.00297835/step, 2.40767 hours remaining, 208.757812 MB of memory in use. ENERGY: 2089800 771.4776 2112.6261 1943.9018 110.3650 -206235.0701 17854.8885 0.0000 0.0000 34101.7424 -149340.0687 297.8190 -183441.8111 -149255.0499 298.9898 74.5665 105.9264 556322.4919 4.5456 4.3743 PRESSURE: 2090000 -101.974 49.8175 -44.8338 49.8178 146.266 -14.8477 -44.8334 -14.8503 -34.0618 GPRESSURE: 2090000 -83.7167 12.796 -64.3069 157.824 148.353 -17.8667 -47.1689 37.84 48.3587 PRESSAVG: 2090000 -47.5328 -54.6368 -4.15074 -54.6368 30.0393 -20.6959 -4.15087 -20.696 61.6135 GPRESSAVG: 2090000 -48.9755 -54.0438 -4.94619 -54.8002 30.4723 -18.1797 -1.91107 -22.4017 62.8316 TIMING: 2090000 CPU: 6300.82, 0.00295179/step Wall: 6300.82, 0.00295179/step, 2.38603 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: 2090000 757.9276 2024.7641 1915.7730 108.9747 -206206.1532 17929.1418 0.0000 0.0000 33933.9790 -149535.5930 296.3539 -183469.5720 -149441.3307 298.3766 3.4101 37.6650 556090.7206 14.7067 14.7761 PRESSURE: 2090200 175.794 -28.3011 -257.499 -28.3004 -129.782 41.5442 -257.499 41.5442 -189.597 GPRESSURE: 2090200 237.482 -60.785 -207.667 -48.7004 -144 68.4344 -275.267 10.1395 -136.195 PRESSAVG: 2090200 27.0433 -14.3902 -20.5552 -14.3902 -10.1029 25.5215 -20.5551 25.5215 25.5292 GPRESSAVG: 2090200 28.0145 -12.4732 -17.7797 -14.3791 -10.0438 25.443 -21.5755 23.5664 24.6186 TIMING: 2090200 CPU: 6301.41, 0.00296338/step Wall: 6301.41, 0.00296338/step, 2.39524 hours remaining, 208.757812 MB of memory in use. ENERGY: 2090200 773.6375 2064.4811 1940.7109 109.2155 -206243.6590 17744.8644 0.0000 0.0000 34086.6487 -149524.1009 297.6872 -183610.7496 -149427.5082 298.4711 -47.8616 -14.2377 556453.6037 14.1566 14.1964 PRESSURE: 2090400 -23.5356 -27.162 25.541 -27.1616 219.93 30.256 25.5406 30.2574 -207.859 GPRESSURE: 2090400 -5.66586 -40.6179 35.825 -77.3165 234.884 32.6728 -33.4392 -2.24449 -169.672 PRESSAVG: 2090400 26.0523 4.75013 -13.5758 4.75027 -25.4215 1.44093 -13.5758 1.44096 -20.9452 GPRESSAVG: 2090400 26.3517 3.85993 -17.9493 4.70733 -25.7887 2.07465 -13.4335 4.46622 -20.9968 TIMING: 2090400 CPU: 6302.02, 0.00302127/step Wall: 6302.02, 0.00302127/step, 2.44186 hours remaining, 208.757812 MB of memory in use. ENERGY: 2090400 704.6893 2051.0192 1927.3861 103.6194 -206210.8456 17670.1271 0.0000 0.0000 34216.1805 -149537.8241 298.8184 -183754.0046 -149446.6683 298.2736 -3.8216 19.8488 555171.9737 -6.7715 -6.8113 PRESSURE: 2090600 -209.287 -47.2554 -103.095 -47.2556 -124.067 183.131 -103.097 183.132 -253.47 GPRESSURE: 2090600 -223.563 -56.5883 -138.488 -2.51205 -58.8631 130.659 -23.5059 181.676 -200.67 PRESSAVG: 2090600 10.3619 -24.4278 -36.5683 -24.4278 9.58566 41.4496 -36.5683 41.4496 -18.07 GPRESSAVG: 2090600 10.7 -23.6452 -33.5536 -23.8812 9.6218 39.8802 -38.65 40.1866 -18.076 TIMING: 2090600 CPU: 6302.61, 0.00296771/step Wall: 6302.61, 0.00296771/step, 2.39841 hours remaining, 208.757812 MB of memory in use. ENERGY: 2090600 750.8390 2089.6332 1918.9424 112.3369 -205887.9727 17537.8980 0.0000 0.0000 34088.6563 -149389.6670 297.7047 -183478.3233 -149285.5918 299.1932 -195.6078 -161.0319 559491.5409 0.6259 0.7486 PRESSURE: 2090800 -244.566 228.234 -20.8518 228.236 -216.836 22.4813 -20.8522 22.4831 -72.6295 GPRESSURE: 2090800 -203.061 212.276 -47.8113 261.71 -167.328 18.6497 -23.2406 17.6597 -51.0189 PRESSAVG: 2090800 81.6418 -32.3471 -24.8365 -32.3471 23.8134 56.5756 -24.8366 56.5754 -27.8874 GPRESSAVG: 2090800 81.2328 -32.798 -26.6854 -31.9641 24.1839 57.3385 -22.7669 57.4988 -27.6853 TIMING: 2090800 CPU: 6303.21, 0.00298002/step Wall: 6303.21, 0.00298002/step, 2.40819 hours remaining, 208.757812 MB of memory in use. ENERGY: 2090800 774.1926 2093.9351 1918.9790 126.8439 -206107.9268 17848.1496 0.0000 0.0000 34084.5915 -149261.2350 297.6692 -183345.8265 -149165.2804 299.5143 -178.0105 -140.4693 559294.0722 25.8559 25.9104 PRESSURE: 2091000 40.1073 53.52 -32.403 53.5201 -43.5818 132.422 -32.404 132.423 -210.145 GPRESSURE: 2091000 101.224 131.836 67.694 51.2554 5.71553 52.2361 17.3001 166.916 -222.142 PRESSAVG: 2091000 -2.4033 38.727 -11.1862 38.7271 -33.5541 25.3391 -11.1861 25.3391 -25.0519 GPRESSAVG: 2091000 -2.04445 39.6406 -9.99402 39.0033 -33.8224 25.7729 -12.9327 24.8768 -25.6848 TIMING: 2091000 CPU: 6303.81, 0.00300778/step Wall: 6303.81, 0.00300778/step, 2.43045 hours remaining, 208.757812 MB of memory in use. ENERGY: 2091000 752.0196 2110.7370 1947.6671 114.0555 -206240.9191 17775.4551 0.0000 0.0000 34527.6090 -149013.3757 301.5382 -183540.9847 -148923.4655 299.9363 -71.2067 -38.4006 558903.2887 -20.3364 -20.5172 PRESSURE: 2091200 27.4346 -61.1357 -138.369 -61.1372 11.4693 120.242 -138.37 120.244 -206.099 GPRESSURE: 2091200 35.5193 -134.184 -196.183 -12.6376 88.3236 135.888 -78.0938 110.214 -202.167 PRESSAVG: 2091200 80.9513 5.41122 -15.6694 5.41123 -9.30533 10.5249 -15.6694 10.525 -59.5592 GPRESSAVG: 2091200 80.5112 5.17003 -15.8305 4.46992 -7.93882 9.31341 -14.9858 10.2855 -60.2126 TIMING: 2091200 CPU: 6304.41, 0.00300589/step Wall: 6304.41, 0.00300589/step, 2.42876 hours remaining, 208.757812 MB of memory in use. ENERGY: 2091200 744.2959 2040.8539 1908.9421 107.3343 -205522.6178 17463.5169 0.0000 0.0000 34314.8399 -148942.8349 299.6800 -183257.6748 -148844.5349 299.7823 -55.7319 -26.1080 557719.8390 4.0289 4.1199 PRESSURE: 2091400 -38.0395 131.402 -172.199 131.401 -202.426 -8.50014 -172.198 -8.50009 -44.972 GPRESSURE: 2091400 -40.3159 216.768 -225.431 97.6833 -92.7701 36.5947 -155.373 24.0493 -46.7611 PRESSAVG: 2091400 18.7325 11.7514 -22.0465 11.7513 46.773 5.16737 -22.0465 5.16754 -45.1475 GPRESSAVG: 2091400 18.7613 11.5588 -20.1211 11.9807 46.7475 3.99479 -21.7872 5.9863 -44.7425 TIMING: 2091400 CPU: 6305, 0.00297089/step Wall: 6305, 0.00297089/step, 2.40032 hours remaining, 208.757812 MB of memory in use. ENERGY: 2091400 744.8709 2104.8078 1949.4709 114.7030 -205664.7971 17482.1861 0.0000 0.0000 34446.0829 -148822.6754 300.8262 -183268.7583 -148731.0913 299.9974 -95.1458 -59.9490 557753.2599 6.7860 6.9221 PRESSURE: 2091600 261.951 -140.864 61.3872 -140.866 26.3524 5.42371 61.3878 5.42362 -55.731 GPRESSURE: 2091600 237.396 -162.193 62.8792 -60.8619 100.788 -16.6251 77.4043 33.4308 2.60878 PRESSAVG: 2091600 58.4126 -26.5111 -11.6856 -26.5111 9.98809 -43.0335 -11.6856 -43.0334 -48.5021 GPRESSAVG: 2091600 58.5967 -28.9377 -13.0611 -26.0299 9.54347 -40.5596 -9.88538 -44.7625 -48.0835 TIMING: 2091600 CPU: 6305.6, 0.00299029/step Wall: 6305.6, 0.00299029/step, 2.41582 hours remaining, 208.757812 MB of memory in use. ENERGY: 2091600 720.1447 2140.5641 1924.9659 111.9061 -206265.3348 17992.8170 0.0000 0.0000 34495.5488 -148879.3882 301.2582 -183374.9371 -148787.8916 300.2772 77.5240 113.5976 558664.8883 6.6328 6.6855 PRESSURE: 2091800 -119.983 171.287 114.942 171.287 148.337 -94.2164 114.943 -94.2135 -126.08 GPRESSURE: 2091800 -40.2632 195.069 186.573 130.472 182.711 -60.321 37.373 -32.6861 -129.619 PRESSAVG: 2091800 -15.7683 11.5315 -8.57502 11.5316 17.3398 -48.1611 -8.57497 -48.161 -6.67327 GPRESSAVG: 2091800 -16.1154 14.2404 -6.58205 9.50049 16.7148 -50.9694 -10.6779 -45.5542 -6.1078 TIMING: 2091800 CPU: 6306.19, 0.00296383/step Wall: 6306.19, 0.00296383/step, 2.39428 hours remaining, 208.757812 MB of memory in use. ENERGY: 2091800 760.9773 2082.8836 1923.2678 119.1746 -206063.1502 17920.2766 0.0000 0.0000 34242.6625 -149013.9079 299.0497 -183256.5703 -148919.6533 300.1273 -32.5750 4.2763 558265.1901 -1.7006 -1.8361 PRESSURE: 2092000 -77.4582 71.0368 43.6165 71.0368 91.9855 9.4564 43.6172 9.45546 -93.6375 GPRESSURE: 2092000 -40.5104 43.9324 8.8016 106.183 141.062 -23.2545 127.514 -9.65373 -87.919 PRESSAVG: 2092000 28.1308 51.0995 2.74243 51.0994 24.663 -14.938 2.74241 -14.938 -17.9877 GPRESSAVG: 2092000 27.7436 47.3708 1.64851 52.7087 25.0733 -15.0417 2.23756 -15.4257 -17.8207 TIMING: 2092000 CPU: 6306.79, 0.00299275/step Wall: 6306.79, 0.00299275/step, 2.41747 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: 2092000 705.8199 2149.2137 1946.6595 116.7706 -206240.8036 17822.5543 0.0000 0.0000 34387.8133 -149111.9725 300.3173 -183499.7858 -149012.8471 299.2467 -26.3700 4.2108 558830.5055 11.6020 11.6654 PRESSURE: 2092200 -167.163 -78.1883 33.3911 -78.1882 -26.8921 55.549 33.3913 55.5489 -83.862 GPRESSURE: 2092200 -128.039 -99.8105 -53.5326 -14.8116 40.6323 124.983 126.973 35.8457 -98.7975 PRESSAVG: 2092200 7.99074 19.2946 -21.2311 19.2947 11.8516 -94.1629 -21.2311 -94.1629 14.0254 GPRESSAVG: 2092200 8.03942 23.4916 -24.4158 19.203 12.3384 -91.807 -19.2656 -96.7505 13.3452 TIMING: 2092200 CPU: 6307.39, 0.00300565/step Wall: 6307.39, 0.00300565/step, 2.42773 hours remaining, 208.757812 MB of memory in use. ENERGY: 2092200 735.1725 2110.1239 1950.5345 122.9878 -206326.4586 17682.7452 0.0000 0.0000 34472.0380 -149252.8568 301.0529 -183724.8948 -149157.2557 299.4999 -92.6391 -62.0681 558191.8332 11.2893 11.2410 LDB: ============= START OF LOAD BALANCING ============== 6310.91 LDB: ============== END OF LOAD BALANCING =============== 6310.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6310.91 LDB: ============= START OF LOAD BALANCING ============== 6311.22 LDB: Largest compute 4772 load 0.028395 is 24.0% of average load 0.118095 LDB: Average compute 0.001714 is 1.5% of average load 0.118095 LDB: TIME 6311.22 LOAD: AVG 0.118095 MAX 0.208465 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.223 MB LDB: TIME 6311.22 LOAD: AVG 0.118095 MAX 0.208465 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.426 MB LDB: TIME 6311.22 LOAD: AVG 0.118095 MAX 0.208465 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.426 MB LDB: ============== END OF LOAD BALANCING =============== 6311.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6311.23 PRESSURE: 2092400 -369.504 173.462 149.26 173.463 -216.492 144.14 149.261 144.14 -197.041 GPRESSURE: 2092400 -344.82 187.052 173.862 223.539 -197.761 193.144 193.282 70.8338 -149.935 PRESSAVG: 2092400 9.35538 -35.8038 69.8088 -35.8038 -20.7867 33.5518 69.8088 33.5518 -2.39753 GPRESSAVG: 2092400 10.3025 -35.9385 71.1189 -35.9823 -20.9872 34.9033 69.3469 34.4065 -2.81277 TIMING: 2092400 CPU: 6308.01, 0.00309291/step Wall: 6308.01, 0.00309291/step, 2.49804 hours remaining, 210.031250 MB of memory in use. ENERGY: 2092400 750.9845 2119.3769 1928.4168 112.3851 -205945.9181 17535.2956 0.0000 0.0000 34279.4782 -149219.9809 299.3712 -183499.4592 -149125.0432 298.9298 -261.0121 -230.8386 560075.8717 -4.6096 -4.4992 PRESSURE: 2092600 -4.09397 117.207 61.77 117.207 -10.3161 -109.328 61.7701 -109.329 -9.01886 GPRESSURE: 2092600 44.5513 68.9391 99.2868 169.958 41.2567 -169.564 125.098 7.88587 4.72125 PRESSAVG: 2092600 -82.8097 23.2338 96.9379 23.2339 80.386 -57.8427 96.938 -57.8428 -5.73675 GPRESSAVG: 2092600 -82.4984 20.0822 97.32 23.734 80.4292 -58.5078 97.2144 -57.1689 -5.78693 TIMING: 2092600 CPU: 6308.62, 0.00305008/step Wall: 6308.62, 0.00305008/step, 2.46328 hours remaining, 210.031250 MB of memory in use. ENERGY: 2092600 726.6851 2080.2227 1937.4052 123.5550 -206182.8231 17784.7673 0.0000 0.0000 34211.9013 -149318.2866 298.7810 -183530.1879 -149229.9044 299.2491 -7.8096 30.1764 557632.7934 -2.7201 -2.6187 PRESSURE: 2092800 -54.4723 145.298 110.021 145.297 11.7883 -199.845 110.021 -199.846 137.875 GPRESSURE: 2092800 1.58914 73.341 97.7832 196.604 -9.0968 -213.958 186.968 -165.492 188.052 PRESSAVG: 2092800 7.46296 13.9822 40.1952 13.9822 -9.89928 -77.6632 40.1952 -77.6632 35.0153 GPRESSAVG: 2092800 7.57339 15.2651 39.9871 14.351 -11.0174 -80.5509 39.6085 -78.6977 35.7615 TIMING: 2092800 CPU: 6309.23, 0.00301223/step Wall: 6309.23, 0.00301223/step, 2.43255 hours remaining, 210.031250 MB of memory in use. ENERGY: 2092800 748.4099 2119.1265 1904.0850 107.6273 -206156.0665 17703.0796 0.0000 0.0000 34201.3300 -149372.4082 298.6887 -183573.7382 -149280.5378 298.6166 31.7305 60.1814 557876.8175 10.8596 10.7725 PRESSURE: 2093000 -395.83 -119.114 30.3063 -119.115 -262.628 -177.158 30.3067 -177.158 -170.489 GPRESSURE: 2093000 -321.166 -120.089 2.42134 -66.3414 -289.442 -157.434 1.41865 -189.65 -112.091 PRESSAVG: 2093000 -38.8929 -13.0266 89.533 -13.0266 -74.6226 -49.9452 89.533 -49.9454 89.3798 GPRESSAVG: 2093000 -39.1861 -12.6371 88.5582 -12.7553 -73.9715 -47.9892 88.474 -49.3049 89.0622 TIMING: 2093000 CPU: 6309.83, 0.00300116/step Wall: 6309.83, 0.00300116/step, 2.42344 hours remaining, 210.031250 MB of memory in use. ENERGY: 2093000 733.4009 2101.2565 1910.8168 105.2039 -205924.8936 17433.0043 0.0000 0.0000 34262.6373 -149378.5738 299.2241 -183641.2111 -149284.6182 298.6729 -276.3158 -240.8994 559351.9970 -8.0452 -8.0318 PRESSURE: 2093200 2.02791 21.1822 121.306 21.1835 57.853 -60.8312 121.307 -60.8327 -135.986 GPRESSURE: 2093200 14.3303 9.3388 104.783 46.2235 86.6814 -10.4821 111.582 -86.3534 -83.7282 PRESSAVG: 2093200 50.6406 12.5532 -27.1431 12.5533 -25.5071 -26.1079 -27.1431 -26.1079 -11.3623 GPRESSAVG: 2093200 50.8479 14.1309 -24.285 11.4286 -26.4136 -26.0296 -27.7687 -24.5091 -10.726 TIMING: 2093200 CPU: 6310.43, 0.00302601/step Wall: 6310.43, 0.00302601/step, 2.44334 hours remaining, 210.031250 MB of memory in use. ENERGY: 2093200 739.5625 2038.9743 1924.0577 114.2006 -205912.6050 17603.3550 0.0000 0.0000 34136.3636 -149356.0914 298.1214 -183492.4550 -149260.6660 298.9847 -25.3683 5.7612 558196.3222 4.5904 4.5695 PRESSURE: 2093400 35.1255 69.5173 102.309 69.5176 -158.1 -3.89126 102.308 -3.88965 124.795 GPRESSURE: 2093400 66.663 9.94862 86.5421 72.5745 -121.75 -3.38782 122.014 -57.0776 141.014 PRESSAVG: 2093400 15.541 -29.2053 23.8639 -29.2052 12.4237 4.36554 23.864 4.36558 11.298 GPRESSAVG: 2093400 16.364 -29.7858 22.7514 -29.4596 12.4804 4.80753 26.2175 0.479855 10.5439 TIMING: 2093400 CPU: 6311.04, 0.0030261/step Wall: 6311.04, 0.0030261/step, 2.44324 hours remaining, 210.031250 MB of memory in use. ENERGY: 2093400 730.4825 2062.7490 1922.8933 107.4769 -206523.2844 17890.0279 0.0000 0.0000 34605.5044 -149204.1505 302.2185 -183809.6548 -149112.3785 300.0084 0.6068 28.6423 557339.6045 13.0876 13.1294 PRESSURE: 2093600 -25.7202 -98.8146 -115.325 -98.8145 -117.629 261.85 -115.325 261.85 -46.4517 GPRESSURE: 2093600 56.9177 -89.237 -105.402 -57.1117 -76.9982 292.126 -154.195 226.178 -60.42 PRESSAVG: 2093600 10.6791 -24.0867 21.7608 -24.0868 -43.4571 14.091 21.7608 14.091 22.3103 GPRESSAVG: 2093600 10.2193 -25.2062 21.1923 -24.3395 -44.06 14.5623 21.6471 15.9305 23.2289 TIMING: 2093600 CPU: 6311.64, 0.00303717/step Wall: 6311.64, 0.00303717/step, 2.45201 hours remaining, 210.031250 MB of memory in use. ENERGY: 2093600 735.8968 2040.9970 1934.3905 102.5860 -206090.0893 17683.9864 0.0000 0.0000 34324.3734 -149267.8592 299.7633 -183592.2326 -149172.6609 299.6004 -63.2671 -26.8335 556636.9751 -3.4892 -3.5373 PRESSURE: 2093800 -113.393 -56.7028 -96.1278 -56.7025 194.253 70.6177 -96.128 70.619 -3.66654 GPRESSURE: 2093800 -65.6857 -51.1914 -195.284 -42.5932 242.904 172.005 -98.4145 -7.59 -11.518 PRESSAVG: 2093800 -10.0331 -6.38264 -25.1898 -6.38282 2.68477 41.6019 -25.1897 41.6018 4.33044 GPRESSAVG: 2093800 -10.6184 -5.43309 -25.1866 -6.86294 2.31275 38.5131 -25.3323 42.7456 4.98363 TIMING: 2093800 CPU: 6312.25, 0.0030256/step Wall: 6312.25, 0.0030256/step, 2.4425 hours remaining, 210.031250 MB of memory in use. ENERGY: 2093800 795.6141 2062.6429 1919.8332 113.2541 -206197.6601 17857.9942 0.0000 0.0000 34205.9671 -149242.3546 298.7292 -183448.3216 -149146.7901 299.7327 25.7312 55.2335 555089.0882 -1.0060 -1.1073 PRESSURE: 2094000 -31.3162 -28.6765 117.037 -28.6754 -49.878 42.5227 117.035 42.5232 -68.8905 GPRESSURE: 2094000 19.7086 28.008 27.4047 -70.4943 -35.1607 19.8959 126.433 62.3259 -38.2925 PRESSAVG: 2094000 -38.8303 25.7457 31.613 25.7458 5.07443 -35.4641 31.613 -35.4641 38.2285 GPRESSAVG: 2094000 -37.863 25.3096 32.2431 25.6372 4.02253 -31.6376 31.5553 -38.1222 37.8408 TIMING: 2094000 CPU: 6312.86, 0.00304391/step Wall: 6312.86, 0.00304391/step, 2.45711 hours remaining, 210.031250 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: 2094000 746.4589 2121.7586 1951.9549 123.1924 -205949.5608 17543.9579 0.0000 0.0000 34124.5846 -149337.6535 298.0185 -183462.2381 -149238.8646 299.7946 -50.0283 -17.9149 557145.8221 1.4909 1.3334 PRESSURE: 2094200 -74.1754 -59.4077 -58.053 -59.4071 -16.5657 93.9089 -58.0526 93.907 -285.431 GPRESSURE: 2094200 -21.3429 -110.129 -20.8065 -42.5315 -16.7811 174.332 -23.2409 149.485 -261.683 PRESSAVG: 2094200 4.45523 -14.0124 48.5384 -14.0124 13.5755 14.6491 48.5385 14.649 -9.51338 GPRESSAVG: 2094200 2.70731 -13.0773 49.9326 -15.1238 15.0739 13.0668 48.6519 16.7519 -9.44907 TIMING: 2094200 CPU: 6313.46, 0.00302571/step Wall: 6313.46, 0.00302571/step, 2.44226 hours remaining, 210.031250 MB of memory in use. ENERGY: 2094200 770.9826 2100.4414 1955.9722 98.8716 -206214.4116 17759.8731 0.0000 0.0000 34300.8587 -149227.4119 299.5579 -183528.2706 -149125.8305 299.2266 -125.3907 -99.9356 558144.6214 2.8391 2.7774 PRESSURE: 2094400 -166.963 123.54 165.902 123.54 -15.6315 -163.183 165.901 -163.183 17.2074 GPRESSURE: 2094400 -103.363 56.9038 77.4668 169.326 -14.7094 -132.996 145.733 -76.5842 55.0648 PRESSAVG: 2094400 39.6292 32.1572 34.0365 32.1572 -11.5474 13.4055 34.0365 13.4053 -48.1197 GPRESSAVG: 2094400 40.4011 31.4393 31.9194 35.2613 -10.4907 12.6268 34.2575 14.6321 -50.1465 TIMING: 2094400 CPU: 6314.06, 0.00300359/step Wall: 6314.06, 0.00300359/step, 2.42423 hours remaining, 210.031250 MB of memory in use. ENERGY: 2094400 710.0352 2120.0776 1938.0029 113.1811 -206142.7126 17746.1581 0.0000 0.0000 34302.9174 -149212.3402 299.5759 -183515.2576 -149112.8505 298.9525 -55.1291 -21.0027 558052.2411 -6.6793 -6.7454 PRESSURE: 2094600 -98.5436 48.9284 9.25768 48.9287 107.608 22.3281 9.25834 22.3277 356.561 GPRESSURE: 2094600 -14.1078 -15.9637 50.1631 90.4762 160.11 -37.812 1.00153 28.9529 311.206 PRESSAVG: 2094600 -8.99683 47.0146 23.8243 47.0145 -20.3037 -7.3428 23.8243 -7.3428 64.4216 GPRESSAVG: 2094600 -9.22717 48.4926 24.7332 45.9071 -20.5001 -7.8396 22.2477 -9.80368 65.1027 TIMING: 2094600 CPU: 6314.66, 0.0029773/step Wall: 6314.66, 0.0029773/step, 2.40285 hours remaining, 210.031250 MB of memory in use. ENERGY: 2094600 719.9737 2110.4895 1926.9274 115.8414 -206385.6343 18161.9405 0.0000 0.0000 34224.2097 -149126.2520 298.8885 -183350.4618 -149028.7030 299.1806 121.8750 152.4024 557951.5183 11.7070 11.7918 PRESSURE: 2094800 -121.74 -288.724 -47.1626 -288.724 35.2085 -94.2563 -47.1623 -94.2572 -105.196 GPRESSURE: 2094800 -102.89 -317.018 -132.628 -245.151 45.0433 -36.3717 -1.58809 -151.467 -43.3417 PRESSAVG: 2094800 46.983 3.00151 28.5046 3.00147 15.5624 -42.2836 28.5046 -42.2836 -53.9048 GPRESSAVG: 2094800 46.5845 4.58087 27.0271 1.13678 15.4496 -42.8926 29.8208 -41.2981 -54.4854 TIMING: 2094800 CPU: 6315.25, 0.00297745/step Wall: 6315.25, 0.00297745/step, 2.40281 hours remaining, 210.324219 MB of memory in use. ENERGY: 2094800 712.7125 2078.4392 1935.6342 125.9922 -206154.2723 17615.4197 0.0000 0.0000 34369.8438 -149316.2305 300.1604 -183686.0743 -149221.2785 299.2918 -63.9093 -33.7294 555952.3824 2.8802 2.5162 PRESSURE: 2095000 45.3048 -36.6384 -111.354 -36.6388 -394.76 -20.6146 -111.354 -20.6138 -280.932 GPRESSURE: 2095000 21.5863 24.7609 -85.5719 -50.5967 -336.784 -64.5705 -23.2218 14.2719 -229.979 PRESSAVG: 2095000 -23.919 -15.5733 -36.7525 -15.5733 39.914 -32.194 -36.7524 -32.194 -18.8354 GPRESSAVG: 2095000 -25.2726 -19.4766 -35.1098 -12.5551 40.9242 -30.3244 -37.0356 -33.2525 -18.9343 TIMING: 2095000 CPU: 6315.85, 0.00299428/step Wall: 6315.85, 0.00299428/step, 2.41622 hours remaining, 210.324219 MB of memory in use. ENERGY: 2095000 750.1618 2068.9028 1914.4268 113.3399 -205659.6481 17391.0397 0.0000 0.0000 34152.7109 -149269.0663 298.2641 -183421.7772 -149181.1488 299.1393 -210.1289 -181.7255 558322.1082 -0.9468 -1.0942 PRESSURE: 2095200 321.58 65.731 266.407 65.7315 180.897 -99.9907 266.407 -99.9906 127.924 GPRESSURE: 2095200 296.313 158.492 171.65 -12.6079 247.838 -58.6816 299.386 -71.955 177.048 PRESSAVG: 2095200 35.0148 -36.2985 -48.5189 -36.2986 -2.36434 -59.9131 -48.5189 -59.913 22.9298 GPRESSAVG: 2095200 35.1257 -37.0107 -48.8001 -36.9904 -2.75244 -60.7812 -47.3207 -58.209 22.8 TIMING: 2095200 CPU: 6316.45, 0.00300259/step Wall: 6316.45, 0.00300259/step, 2.42276 hours remaining, 210.324219 MB of memory in use. ENERGY: 2095200 763.6060 2087.0082 1917.5487 117.4108 -206754.2888 18302.7027 0.0000 0.0000 34333.5785 -149232.4337 299.8437 -183566.0122 -149141.2515 299.2010 210.1335 240.3999 556318.7508 18.5267 18.3911 PRESSURE: 2095400 -252.81 -46.9719 -76.1435 -46.9717 -13.5365 -126.44 -76.1444 -126.44 -9.00046 GPRESSURE: 2095400 -243.253 -26.8464 -141.315 -10.2446 8.30371 -34.5058 8.86411 -82.881 58.3026 PRESSAVG: 2095400 -19.7281 -8.42881 -28.7123 -8.42882 2.60281 -5.40532 -28.7121 -5.40533 -1.82002 GPRESSAVG: 2095400 -18.3178 -6.36696 -28.0376 -6.52716 0.895196 -5.88607 -31.1395 -4.73599 -1.811 TIMING: 2095400 CPU: 6317.05, 0.00300113/step Wall: 6317.05, 0.00300113/step, 2.42141 hours remaining, 210.324219 MB of memory in use. ENERGY: 2095400 748.8657 2116.7508 1928.7359 121.2912 -206181.4519 17713.3592 0.0000 0.0000 34191.2799 -149361.1692 298.6010 -183552.4491 -149271.3888 299.4124 -91.7824 -58.8821 556151.7173 -6.3151 -6.4112 PRESSURE: 2095600 39.8446 176.052 -5.4039 176.052 34.1201 43.096 -5.40361 43.0956 29.6448 GPRESSURE: 2095600 64.7002 142.898 0.162231 145.15 44.6851 67.1863 4.50043 59.622 80.1343 PRESSAVG: 2095600 29.6629 48.7207 -78.468 48.7208 -26.4108 32.5722 -78.4679 32.5723 -16.761 GPRESSAVG: 2095600 29.2335 49.2614 -76.9454 45.639 -25.9312 33.3077 -77.3751 30.6783 -16.6661 TIMING: 2095600 CPU: 6317.65, 0.00300718/step Wall: 6317.65, 0.00300718/step, 2.42612 hours remaining, 210.324219 MB of memory in use. ENERGY: 2095600 765.6199 2087.1084 1939.6826 124.2108 -206277.3266 17819.8567 0.0000 0.0000 34070.5128 -149470.3354 297.5463 -183540.8482 -149368.3265 298.4234 34.5365 63.1732 556335.4705 -4.5030 -4.4546 PRESSURE: 2095800 56.317 -83.9947 -23.0559 -83.9943 -51.1603 56.7356 -23.0548 56.7341 -245.079 GPRESSURE: 2095800 111.19 -23.3936 -12.1465 -100.421 -27.6915 57.5245 -10.0856 28.3867 -216.295 PRESSAVG: 2095800 -21.3204 48.1925 -43.1941 48.1925 -24.9658 12.4619 -43.1941 12.462 18.3092 GPRESSAVG: 2095800 -21.5059 48.9519 -45.9688 48.8826 -24.3851 12.317 -41.9388 13.7864 18.7192 TIMING: 2095800 CPU: 6318.25, 0.00299802/step Wall: 6318.25, 0.00299802/step, 2.41857 hours remaining, 210.324219 MB of memory in use. ENERGY: 2095800 737.3402 2060.5862 1913.7972 115.1568 -206281.8031 17873.6449 0.0000 0.0000 34160.6124 -149420.6654 298.3331 -183581.2777 -149324.1402 298.8219 -79.9741 -44.2653 557044.4412 -9.3257 -9.0573 PRESSURE: 2096000 -299.463 2.68447 51.8294 2.68544 -80.0448 9.2729 51.8283 9.27241 -205.993 GPRESSURE: 2096000 -252.447 -26.7957 136.245 138.802 -131.762 23.0379 41.4934 2.01062 -99.5038 PRESSAVG: 2096000 -44.8645 13.4965 -9.77238 13.4965 -7.6575 13.7677 -9.77235 13.7678 25.1034 GPRESSAVG: 2096000 -43.5968 14.4044 -7.41598 13.0265 -8.96633 14.8824 -10.6519 14.3631 25.4321 TIMING: 2096000 CPU: 6318.86, 0.00303376/step Wall: 6318.86, 0.00303376/step, 2.44723 hours remaining, 210.324219 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: 2096000 720.1614 2097.0699 1961.2849 120.1462 -206116.2149 17714.1059 0.0000 0.0000 34180.4233 -149323.0234 298.5061 -183503.4466 -149217.2029 298.7546 -195.1669 -161.2374 559239.2293 -9.1395 -9.0437 PRESSURE: 2096200 -62.0309 86.5259 -9.78265 86.5256 -82.1339 -67.9026 -9.7821 -67.9027 -400.764 GPRESSURE: 2096200 -65.1731 81.0112 57.2486 140.315 -21.2482 -93.7071 -21.8503 -45.7989 -355.791 PRESSAVG: 2096200 -48.5881 33.3384 10.0953 33.3382 31.8381 23.2824 10.0952 23.2824 22.0755 GPRESSAVG: 2096200 -49.5161 32.6498 7.98028 35.08 33.5288 21.7358 11.4335 22.9782 21.652 TIMING: 2096200 CPU: 6319.47, 0.00302149/step Wall: 6319.47, 0.00302149/step, 2.43717 hours remaining, 210.433594 MB of memory in use. ENERGY: 2096200 767.8905 2112.2253 1916.9312 106.4493 -206400.2426 17647.9050 0.0000 0.0000 34438.8867 -149409.9546 300.7634 -183848.8413 -149312.4234 299.4303 -181.6430 -147.4040 556897.3199 1.7752 1.8882 LDB: ============= START OF LOAD BALANCING ============== 6322.99 LDB: ============== END OF LOAD BALANCING =============== 6322.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6322.99 LDB: ============= START OF LOAD BALANCING ============== 6323.29 LDB: Largest compute 4772 load 0.030128 is 25.5% of average load 0.118034 LDB: Average compute 0.001731 is 1.5% of average load 0.118034 LDB: TIME 6323.3 LOAD: AVG 0.118034 MAX 0.207391 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.938 MB LDB: TIME 6323.3 LOAD: AVG 0.118034 MAX 0.207391 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.938 MB LDB: TIME 6323.3 LOAD: AVG 0.118034 MAX 0.207391 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.938 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6323.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6323.3 PRESSURE: 2096400 -65.4424 -67.4785 -34.1322 -67.4779 -47.7294 162.54 -34.1323 162.542 -166.719 GPRESSURE: 2096400 -29.3316 -44.4676 -61.6643 -123.973 5.5873 170.237 -159.666 166.204 -156.759 PRESSAVG: 2096400 -51.7474 -8.87496 -24.1889 -8.87495 56.3054 -31.4314 -24.1888 -31.4314 1.03872 GPRESSAVG: 2096400 -49.9893 -9.13182 -23.4771 -9.42977 55.4018 -31.0929 -25.688 -31.1531 0.406487 TIMING: 2096400 CPU: 6320.09, 0.00310817/step Wall: 6320.09, 0.00310817/step, 2.50691 hours remaining, 210.742188 MB of memory in use. ENERGY: 2096400 772.2527 2095.7534 1908.7991 117.8498 -206432.0473 17980.0170 0.0000 0.0000 34221.7507 -149335.6246 298.8671 -183557.3754 -149243.4343 298.8640 -93.2969 -60.1676 559612.0260 1.8656 1.9397 PRESSURE: 2096600 -324.936 160.829 -77.7071 160.828 45.5029 159.518 -77.707 159.519 133.226 GPRESSURE: 2096600 -272.76 164.105 -27.6213 192.564 63.8786 200.763 -85.6399 130.969 176.635 PRESSAVG: 2096600 -25.3428 -26.1288 -24.8697 -26.1288 -6.10705 -66.6532 -24.8698 -66.6531 -3.23788 GPRESSAVG: 2096600 -28.1792 -24.8181 -25.1475 -26.7291 -5.49946 -67.0039 -25.9587 -66.6804 -0.999645 TIMING: 2096600 CPU: 6320.7, 0.00304426/step Wall: 6320.7, 0.00304426/step, 2.45519 hours remaining, 210.812500 MB of memory in use. ENERGY: 2096600 702.2916 2084.1339 1931.6327 111.6209 -206161.3145 17864.1437 0.0000 0.0000 34056.3361 -149411.1556 297.4225 -183467.4917 -149323.4305 298.6877 -48.7355 -10.7489 559397.2723 -11.5626 -11.5594 PRESSURE: 2096800 -62.4375 -168.474 -12.5407 -168.474 -99.04 123.012 -12.5416 123.013 78.311 GPRESSURE: 2096800 27.6641 -110.251 -4.65949 -207.426 -78.8629 33.0922 -20.9081 131.641 67.2233 PRESSAVG: 2096800 -52.3699 -25.8962 -37.1063 -25.8963 53.3056 -8.93489 -37.1063 -8.93501 -14.5949 GPRESSAVG: 2096800 -50.1992 -28.6549 -34.1912 -26.2223 52.4872 -8.11922 -36.4719 -10.4214 -15.8973 TIMING: 2096800 CPU: 6321.3, 0.00300793/step Wall: 6321.3, 0.00300793/step, 2.42573 hours remaining, 210.812500 MB of memory in use. ENERGY: 2096800 744.0042 2005.0893 1936.9740 122.9817 -206411.5114 17912.6931 0.0000 0.0000 34207.9957 -149481.7733 298.7469 -183689.7690 -149387.8986 298.1546 -27.7222 5.3415 558651.4254 -4.5530 -4.5364 PRESSURE: 2097000 78.2874 -222.869 -61.2831 -222.868 233.937 65.8408 -61.2839 65.8396 -78.7124 GPRESSURE: 2097000 57.6439 -195.437 -70.9768 -205.423 278.43 18.6077 -1.18616 106.63 -25.1925 PRESSAVG: 2097000 -4.17133 -0.46771 -45.4364 -0.467696 -18.0899 4.51953 -45.4365 4.5196 -34.8658 GPRESSAVG: 2097000 -5.11832 1.30554 -45.6455 -0.784365 -16.8912 3.32551 -44.4014 5.13743 -35.449 TIMING: 2097000 CPU: 6321.9, 0.00301705/step Wall: 6321.9, 0.00301705/step, 2.43292 hours remaining, 210.812500 MB of memory in use. ENERGY: 2097000 751.0184 2069.7730 1941.3869 115.3263 -206451.3093 18019.2624 0.0000 0.0000 34178.0711 -149376.4711 298.4856 -183554.5422 -149280.5547 298.5223 77.8374 103.6271 558499.9304 -19.0423 -19.1528 PRESSURE: 2097200 -115.035 106.453 -106.456 106.453 11.919 233.687 -106.456 233.688 194.78 GPRESSURE: 2097200 -6.32895 120.183 -96.9296 131.397 27.0357 247.697 -160.215 245.889 168.947 PRESSAVG: 2097200 16.5081 -6.19959 -31.584 -6.19957 -77.2661 46.0333 -31.584 46.0333 78.9886 GPRESSAVG: 2097200 16.5845 -5.62033 -32.2947 -3.77511 -78.1997 46.9984 -31.7133 46.5985 79.4156 TIMING: 2097200 CPU: 6322.5, 0.0030037/step Wall: 6322.5, 0.0030037/step, 2.42199 hours remaining, 210.812500 MB of memory in use. ENERGY: 2097200 740.4157 2134.5119 1956.7849 101.2325 -206050.3313 17706.8064 0.0000 0.0000 34096.2483 -149314.3315 297.7710 -183410.5798 -149212.9012 299.7474 30.5547 63.2178 558529.9465 6.0769 5.9335 PRESSURE: 2097400 189.959 21.6751 -72.4145 21.6749 -182.347 81.7582 -72.4147 81.7589 -83.5189 GPRESSURE: 2097400 219.741 62.9699 -10.0203 -51.9583 -117.665 105.598 -85.109 101.037 -75.7171 PRESSAVG: 2097400 14.5661 10.8855 -21.7883 10.8854 -82.0084 22.6943 -21.7884 22.6943 81.4584 GPRESSAVG: 2097400 13.6257 10.324 -23.5854 8.39299 -81.5164 24.2839 -22.4472 21.0049 81.5026 TIMING: 2097400 CPU: 6323.11, 0.00302155/step Wall: 6323.11, 0.00302155/step, 2.43621 hours remaining, 210.812500 MB of memory in use. ENERGY: 2097400 717.6646 2124.7007 1953.5993 103.0215 -206039.1075 17680.2191 0.0000 0.0000 34258.6748 -149201.2276 299.1895 -183459.9023 -149098.4727 299.5053 -25.3024 8.7864 557716.2358 4.6720 4.5373 PRESSURE: 2097600 132.12 19.8159 61.1211 19.816 -39.7889 -18.9239 61.1213 -18.9236 -382.23 GPRESSURE: 2097600 77.0581 96.4707 18.8949 -30.9649 12.6893 -19.4473 55.2514 -46.1696 -278.052 PRESSAVG: 2097600 -3.47237 22.8689 -25.7902 22.8689 -19.4353 30.3156 -25.7901 30.3157 33.1804 GPRESSAVG: 2097600 -3.16721 24.3683 -26.0427 22.5261 -18.9025 28.0726 -25.7076 32.7197 32.8082 TIMING: 2097600 CPU: 6323.71, 0.0030066/step Wall: 6323.71, 0.0030066/step, 2.42399 hours remaining, 210.812500 MB of memory in use. ENERGY: 2097600 748.1345 2132.6131 1941.6335 101.7139 -206044.9917 17595.2724 0.0000 0.0000 34392.6320 -149132.9922 300.3594 -183525.6242 -149028.6137 299.2737 -96.6328 -62.7682 557268.5319 3.4242 3.5795 PRESSURE: 2097800 -87.3083 115.241 44.9658 115.24 -210.218 -189.484 44.9666 -189.483 326.499 GPRESSURE: 2097800 -60.191 130.646 10.8435 101.405 -85.1817 -261.876 -1.50438 -86.8326 277.59 PRESSAVG: 2097800 -10.1507 6.31055 10.8433 6.31048 12.7613 -43.8081 10.8432 -43.8081 19.5975 GPRESSAVG: 2097800 -8.91214 4.45542 11.2042 7.83118 11.5068 -44.3414 9.69783 -43.3881 20.1187 TIMING: 2097800 CPU: 6324.31, 0.00300921/step Wall: 6324.31, 0.00300921/step, 2.42593 hours remaining, 210.812500 MB of memory in use. ENERGY: 2097800 697.3752 2103.1332 1932.3124 108.5095 -206414.5957 17919.7093 0.0000 0.0000 34355.7348 -149297.8214 300.0372 -183653.5562 -149200.1261 299.0557 9.6577 44.0723 557826.3645 7.4027 7.5711 PRESSURE: 2098000 40.6495 -10.7239 -156.696 -10.724 -75.8743 -0.101859 -156.697 -0.102557 -309.009 GPRESSURE: 2098000 26.6289 -37.261 -203.081 41.4045 1.26472 -10.2069 -155.682 44.7733 -269.124 PRESSAVG: 2098000 -36.8402 -9.59921 -30.0899 -9.59914 9.7646 55.8352 -30.0899 55.8352 22.9057 GPRESSAVG: 2098000 -36.9934 -9.11353 -29.4763 -9.8051 10.7974 59.3973 -28.9617 52.041 22.3123 TIMING: 2098000 CPU: 6324.91, 0.00300781/step Wall: 6324.91, 0.00300781/step, 2.42463 hours remaining, 210.812500 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: 2098000 725.6931 2136.1288 1918.3508 103.0558 -206074.3766 17685.3895 0.0000 0.0000 34169.6178 -149336.1407 298.4118 -183505.7585 -149232.3023 299.3670 -114.7446 -80.4103 559098.7418 -1.3899 -1.2945 PRESSURE: 2098200 -391.608 -35.4073 -241.961 -35.4078 -304.238 157.918 -241.96 157.917 -91.6241 GPRESSURE: 2098200 -325.768 -75.4277 -173.103 68.3524 -265.464 87.168 -296.019 189.159 -94.5621 PRESSAVG: 2098200 54.6842 -17.0774 -41.7311 -17.0773 -27.7866 51.7911 -41.731 51.7912 17.6006 GPRESSAVG: 2098200 55.1206 -19.0722 -40.9435 -18.0617 -28.6574 49.6838 -40.7425 54.1907 18.2055 TIMING: 2098200 CPU: 6325.51, 0.00297897/step Wall: 6325.51, 0.00297897/step, 2.40122 hours remaining, 210.812500 MB of memory in use. ENERGY: 2098200 778.5671 2080.0101 1936.1644 116.9673 -205932.7656 17537.2511 0.0000 0.0000 34264.4145 -149219.3911 299.2397 -183483.8056 -149123.0696 299.1121 -262.4900 -228.5979 559064.2952 14.8327 14.8896 PRESSURE: 2098400 133.652 81.5974 187.25 81.5977 -38.0206 -70.9181 187.251 -70.9172 62.7491 GPRESSURE: 2098400 144.963 81.7274 185.998 59.7401 -0.874956 -25.3298 182.826 -96.1989 108.04 PRESSAVG: 2098400 -44.2187 47.8105 7.94986 47.8105 -48.0346 -35.2972 7.9499 -35.2971 93.6936 GPRESSAVG: 2098400 -45.937 50.0955 6.20212 46.5256 -47.0529 -33.9397 7.85204 -35.7349 94.0538 TIMING: 2098400 CPU: 6326.11, 0.00300234/step Wall: 6326.11, 0.00300234/step, 2.41989 hours remaining, 210.812500 MB of memory in use. ENERGY: 2098400 736.0259 2019.0600 1930.3811 124.6870 -206380.9450 18088.4982 0.0000 0.0000 34242.1415 -149240.1514 299.0451 -183482.2929 -149142.8961 299.3477 52.7935 84.0426 559375.2787 0.4801 0.3547 PRESSURE: 2098600 85.5891 -76.1697 25.7728 -76.1703 355.275 10.9569 25.7731 10.9567 -205.636 GPRESSURE: 2098600 93.9346 -21.3654 -45.6219 -101.298 378.302 76.5324 59.9062 64.1431 -142.018 PRESSAVG: 2098600 33.3082 46.1628 -22.719 46.1628 -8.47529 0.166965 -22.7189 0.16686 -49.7515 GPRESSAVG: 2098600 33.7184 44.316 -24.8202 48.4715 -7.78914 -1.09543 -22.2955 1.55286 -50.1605 TIMING: 2098600 CPU: 6326.71, 0.00299425/step Wall: 6326.71, 0.00299425/step, 2.4132 hours remaining, 210.812500 MB of memory in use. ENERGY: 2098600 731.6489 2073.8286 1971.0145 119.7510 -206423.5802 18028.2246 0.0000 0.0000 34190.9011 -149308.2114 298.5976 -183499.1126 -149215.1658 298.6839 78.4095 110.0726 557668.1058 -8.3062 -8.0771 PRESSURE: 2098800 -26.0663 -230.226 102.579 -230.226 229.162 -106.776 102.579 -106.776 51.4281 GPRESSURE: 2098800 -12.4314 -195.163 103.715 -200.336 238.061 -159.916 15.8235 -101.646 126.779 PRESSAVG: 2098800 -38.7287 -33.442 58.9471 -33.4419 1.08392 -8.57492 58.9471 -8.57488 62.7847 GPRESSAVG: 2098800 -37.7349 -33.2153 62.0961 -33.9245 0.654466 -9.11361 56.2265 -8.03954 63.0007 TIMING: 2098800 CPU: 6327.31, 0.003/step Wall: 6327.31, 0.003/step, 2.41767 hours remaining, 210.812500 MB of memory in use. ENERGY: 2098800 707.2760 2115.6975 1930.2961 104.3352 -206387.2217 17972.2323 0.0000 0.0000 34158.7899 -149398.5947 298.3172 -183557.3846 -149299.7869 298.6906 84.8411 117.4695 558697.3267 8.3800 8.6401 PRESSURE: 2099000 -103.269 61.6105 -12.727 61.6106 -242.412 -72.1568 -12.7274 -72.1573 -51.547 GPRESSURE: 2099000 -41.3247 37.6586 -18.6078 9.60982 -204.846 -50.0332 -29.2847 -60.5129 -50.1611 PRESSAVG: 2099000 -26.3291 -47.4649 44.4115 -47.465 22.8172 -6.41538 44.4117 -6.4154 26.6038 GPRESSAVG: 2099000 -25.5994 -47.0766 43.1192 -46.8564 21.7975 -5.39124 45.2829 -7.85945 27.1013 TIMING: 2099000 CPU: 6327.91, 0.00301273/step Wall: 6327.91, 0.00301273/step, 2.42776 hours remaining, 210.812500 MB of memory in use. ENERGY: 2099000 723.4207 2109.6551 1910.3197 112.3692 -205990.4899 17614.2955 0.0000 0.0000 34177.2831 -149343.1466 298.4787 -183520.4296 -149243.6404 298.7771 -132.4094 -98.7774 559731.0473 7.6973 7.7665 PRESSURE: 2099200 -9.90422 -124.918 91.9663 -124.918 154.582 96.945 91.9673 96.9459 223.02 GPRESSURE: 2099200 12.1369 -222.994 105.758 -85.6573 203.432 96.3808 150.216 81.2417 258.867 PRESSAVG: 2099200 -53.9257 -46.5237 68.2937 -46.5236 29.6503 12.1431 68.2936 12.1431 21.3012 GPRESSAVG: 2099200 -55.5435 -48.1754 66.6849 -44.5263 31.781 12.602 68.7608 12.1213 21.1907 TIMING: 2099200 CPU: 6328.51, 0.00301086/step Wall: 6328.51, 0.00301086/step, 2.42609 hours remaining, 210.812500 MB of memory in use. ENERGY: 2099200 737.3745 2030.5581 1924.5753 114.7099 -206224.8835 17966.8314 0.0000 0.0000 34089.6268 -149361.2075 297.7132 -183450.8343 -149265.9017 298.7718 122.5660 158.1452 557180.3650 -0.9914 -0.8572 PRESSURE: 2099400 -178.062 39.0021 -22.7894 39.0031 -87.4942 12.1934 -22.7899 12.1946 -207.865 GPRESSURE: 2099400 -115.939 -67.5146 -18.7566 45.8271 -60.8391 -17.7949 6.85871 52.5109 -194.946 PRESSAVG: 2099400 -34.4238 -0.353032 49.4039 -0.353006 10.185 -20.618 49.4039 -20.618 36.4942 GPRESSAVG: 2099400 -33.9515 1.32034 50.8329 -1.90168 8.54226 -22.559 50.7765 -20.9165 37.4064 TIMING: 2099400 CPU: 6329.11, 0.00298749/step Wall: 6329.11, 0.00298749/step, 2.40709 hours remaining, 210.812500 MB of memory in use. ENERGY: 2099400 743.0271 2050.6593 1951.3833 111.6951 -205806.0321 17633.4681 0.0000 0.0000 34222.3145 -149093.4846 298.8720 -183315.7991 -149002.5531 298.7216 -157.8072 -123.9078 558953.6038 4.0851 3.9991 PRESSURE: 2099600 -111.48 -2.04714 10.7815 -2.04703 262.722 -49.4516 10.7811 -49.4517 274.655 GPRESSURE: 2099600 -109.427 6.45582 -13.1025 76.6178 282.501 -67.509 113.933 -19.7848 345.874 PRESSAVG: 2099600 -70.8151 -24.3823 4.1925 -24.3823 -38.7251 -19.4396 4.19249 -19.4394 64.4305 GPRESSAVG: 2099600 -69.7355 -23.7674 5.68162 -25.1479 -39.2439 -18.8245 3.34747 -17.7959 63.832 TIMING: 2099600 CPU: 6329.71, 0.00300093/step Wall: 6329.71, 0.00300093/step, 2.41775 hours remaining, 210.812500 MB of memory in use. ENERGY: 2099600 727.6279 2091.6359 1941.6368 107.6608 -206426.0469 17987.2180 0.0000 0.0000 34316.7686 -149253.4989 299.6969 -183570.2675 -149156.1821 299.9105 141.9653 172.9825 556966.2656 -15.0366 -15.0491 PRESSURE: 2099800 87.5864 -24.3243 -81.5469 -24.3247 -3.92579 23.3162 -81.5472 23.318 96.6685 GPRESSURE: 2099800 109.294 -53.0867 -79.1137 -1.32531 73.3326 31.8126 -69.8495 108.909 94.0176 PRESSAVG: 2099800 -6.84793 28.7975 -26.9814 28.7975 -86.3306 34.3607 -26.9814 34.3606 88.5551 GPRESSAVG: 2099800 -7.18434 28.5448 -27.4015 28.4875 -86.0106 35.2177 -27.191 36.021 88.7751 TIMING: 2099800 CPU: 6330.31, 0.00299431/step Wall: 6330.31, 0.00299431/step, 2.41225 hours remaining, 210.812500 MB of memory in use. ENERGY: 2099800 731.4460 2047.8422 1928.2347 97.8828 -206336.7838 17958.7575 0.0000 0.0000 34348.0122 -149224.6083 299.9697 -183572.6206 -149126.8868 299.6514 60.1097 92.2147 558026.5738 -1.5412 -1.4733 PRESSURE: 2100000 -131.022 14.9312 21.6006 14.9339 -12.8059 154.35 21.6007 154.35 -10.9736 GPRESSURE: 2100000 -134.457 -0.959085 5.61432 95.585 102.314 68.8316 32.7516 161.265 -27.7978 PRESSAVG: 2100000 -20.7033 -34.5991 -64.7927 -34.5991 -52.2942 25.3465 -64.7926 25.3465 63.3005 GPRESSAVG: 2100000 -21.2316 -33.3674 -63.5486 -33.7087 -52.1494 26.0084 -65.0217 21.6817 64.1491 TIMING: 2100000 CPU: 6330.91, 0.00300196/step Wall: 6330.91, 0.00300196/step, 2.41825 hours remaining, 210.812500 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: 2100000 748.6556 2059.4628 1902.7678 115.3253 -206509.6023 18010.2032 0.0000 0.0000 34177.8472 -149495.3404 298.4836 -183673.1876 -149396.9574 298.9519 -51.6006 -19.9803 557733.7921 -3.2323 -3.0773 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2100000 WRITING COORDINATES TO DCD FILE MD.3.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 124.725 94.3896 -26.0548 94.389 -201.724 -26.2566 -26.0559 -26.2552 -166.11 GPRESSURE: 2100200 103.227 108.1 -44.2215 80.0187 -137.635 55.4016 -0.622235 -52.8725 -104.616 PRESSAVG: 2100200 46.9379 25.3006 -40.5908 25.3006 -17.9321 17.9738 -40.5907 17.9739 8.97712 GPRESSAVG: 2100200 47.9888 26.532 -41.2476 25.2363 -18.7094 19.8546 -41.0146 19.1189 8.72749 TIMING: 2100200 CPU: 6331.52, 0.00307129/step Wall: 6331.52, 0.00307129/step, 2.47393 hours remaining, 210.812500 MB of memory in use. ENERGY: 2100200 747.0548 2095.5255 1936.0029 110.0438 -206687.1517 17974.8584 0.0000 0.0000 34289.6416 -149534.0247 299.4600 -183823.6663 -149433.1928 298.4600 -81.0363 -46.3415 557976.7137 12.6610 12.6690 LDB: ============= START OF LOAD BALANCING ============== 6335.04 LDB: ============== END OF LOAD BALANCING =============== 6335.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6335.04 LDB: ============= START OF LOAD BALANCING ============== 6335.34 LDB: Largest compute 4772 load 0.027602 is 23.4% of average load 0.118117 LDB: Average compute 0.001721 is 1.5% of average load 0.118117 LDB: TIME 6335.34 LOAD: AVG 0.118117 MAX 0.204 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.254 MB LDB: TIME 6335.34 LOAD: AVG 0.118117 MAX 0.204 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.324 MB LDB: TIME 6335.34 LOAD: AVG 0.118117 MAX 0.204 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.324 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6335.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6335.35 PRESSURE: 2100400 90.8977 60.3896 95.0558 60.3882 245.918 -3.25514 95.0553 -3.25474 125.771 GPRESSURE: 2100400 176.047 92.8959 60.4643 -49.2278 249.234 -29.4738 42.4894 -39.0427 149.442 PRESSAVG: 2100400 28.9942 -5.76359 1.45205 -5.76362 -11.1699 7.52292 1.45199 7.52298 18.6929 GPRESSAVG: 2100400 28.744 -6.49771 1.01033 -8.50553 -10.1586 4.9484 1.99336 6.85478 17.4109 TIMING: 2100400 CPU: 6332.13, 0.00304717/step Wall: 6332.13, 0.00304717/step, 2.45433 hours remaining, 208.429688 MB of memory in use. ENERGY: 2100400 717.6339 2041.2468 1945.9448 118.2221 -206540.7607 18063.0811 0.0000 0.0000 34362.4746 -149292.1574 300.0960 -183654.6320 -149192.0698 298.7739 154.1955 191.5743 554913.1736 12.1724 11.9988 PRESSURE: 2100600 42.1437 -36.7601 -73.8067 -36.7599 203.066 -146.642 -73.8059 -146.64 -176.282 GPRESSURE: 2100600 72.0496 -59.388 -79.751 -21.5693 171.685 -160.743 -120.537 -120.244 -78.2218 PRESSAVG: 2100600 40.89 -31.7926 -23.2806 -31.7926 -61.0036 27.3691 -23.2806 27.3692 33.2373 GPRESSAVG: 2100600 39.6745 -31.2218 -25.5143 -30.6233 -61.1139 27.0157 -22.5542 29.0226 34.7709 TIMING: 2100600 CPU: 6332.73, 0.00299306/step Wall: 6332.73, 0.00299306/step, 2.41058 hours remaining, 208.687500 MB of memory in use. ENERGY: 2100600 766.6332 2042.9341 1940.9519 106.8938 -206246.8692 17831.8639 0.0000 0.0000 34331.2316 -149226.3606 299.8232 -183557.5921 -149125.1231 299.6354 22.9758 55.1709 556185.6367 4.3746 4.4438 PRESSURE: 2100800 -81.704 -115.655 -33.1457 -115.655 203.667 -105.019 -33.1446 -105.017 -27.3202 GPRESSURE: 2100800 -18.4441 -95.1024 -114.97 -155.62 227.253 -114.426 -45.7884 -128.441 -12.5873 PRESSAVG: 2100800 -16.07 -41.7434 -14.8495 -41.7433 30.5764 13.8085 -14.8496 13.8085 -55.7207 GPRESSAVG: 2100800 -15.4089 -42.0123 -13.4269 -41.5233 30.6075 12.5826 -14.4591 14.4007 -56.4219 TIMING: 2100800 CPU: 6333.33, 0.00300199/step Wall: 6333.33, 0.00300199/step, 2.4176 hours remaining, 208.687500 MB of memory in use. ENERGY: 2100800 757.0256 2074.1407 1915.6675 110.2525 -206149.6939 17770.4706 0.0000 0.0000 34270.7460 -149251.3910 299.2949 -183522.1370 -149159.5066 299.6076 31.5476 65.4073 557952.3677 -13.7381 -13.7411 PRESSURE: 2101000 229.707 -67.0572 168.631 -67.0589 -264.804 -96.9951 168.631 -96.9945 -223.87 GPRESSURE: 2101000 195.68 7.53724 116.636 -80.6115 -204.743 -133.725 181.945 -16.1031 -148.518 PRESSAVG: 2101000 3.55822 9.63365 24.5686 9.63361 -9.75338 -53.0922 24.5686 -53.0921 1.42033 GPRESSAVG: 2101000 3.87274 8.53673 24.1633 11.6428 -10.3677 -53.3127 25.6792 -53.2642 1.56131 TIMING: 2101000 CPU: 6333.94, 0.00303188/step Wall: 6333.94, 0.00303188/step, 2.4415 hours remaining, 208.687500 MB of memory in use. ENERGY: 2101000 763.5637 2059.3009 1930.5539 118.4819 -206316.9483 17867.9603 0.0000 0.0000 34252.1429 -149324.9449 299.1325 -183577.0878 -149231.4111 299.8500 -86.3221 -52.5272 557794.8638 -1.5916 -1.6445 PRESSURE: 2101200 68.9789 132.183 103.315 132.183 103.856 42.2091 103.315 42.2093 161.347 GPRESSURE: 2101200 144.821 79.9814 29.3426 129.111 118.922 30.9009 93.9553 46.4896 163.005 PRESSAVG: 2101200 -2.36596 -7.04778 47.676 -7.04776 -63.7941 -14.5503 47.676 -14.5503 48.2658 GPRESSAVG: 2101200 -3.58538 -7.4063 46.824 -8.65363 -63.1967 -14.8463 46.1879 -15.7997 48.5603 TIMING: 2101200 CPU: 6334.54, 0.00301278/step Wall: 6334.54, 0.00301278/step, 2.42596 hours remaining, 208.687500 MB of memory in use. ENERGY: 2101200 714.8632 2116.5691 1960.2467 109.1670 -206181.1478 17858.3377 0.0000 0.0000 34234.9973 -149186.9668 298.9827 -183421.9641 -149088.1674 299.8088 111.3939 142.2494 558094.7253 -5.9648 -6.0739 PRESSURE: 2101400 -147.354 11.8158 24.9584 11.815 -89.5819 -46.3893 24.9588 -46.3903 117.524 GPRESSURE: 2101400 -72.9511 19.6634 0.728317 56.7705 -69.8897 17.2094 23.2304 -130.038 123.022 PRESSAVG: 2101400 -10.1374 -79.8073 26.3294 -79.8072 -46.9587 -22.6795 26.3295 -22.6796 40.6169 GPRESSAVG: 2101400 -6.94243 -79.0368 28.4181 -80.7753 -48.0734 -20.4522 28.0883 -23.3982 38.6888 TIMING: 2101400 CPU: 6335.14, 0.00301089/step Wall: 6335.14, 0.00301089/step, 2.42427 hours remaining, 208.687500 MB of memory in use. ENERGY: 2101400 735.1495 2066.3841 1921.5067 115.0735 -206051.7940 17627.9314 0.0000 0.0000 34402.4004 -149183.3482 300.4447 -183585.7486 -149086.5263 299.4333 -39.8040 -6.6063 556740.3003 -5.4931 -5.4423 PRESSURE: 2101600 -27.197 83.0495 -6.7573 83.0497 -305.498 -27.276 -6.75784 -27.2765 -18.4234 GPRESSURE: 2101600 -23.5388 72.8876 -9.66351 85.9699 -256.65 2.86178 3.60222 -19.6853 20.0342 PRESSAVG: 2101600 33.8371 -17.5117 -8.70487 -17.5118 -51.3612 35.1777 -8.70479 35.1777 82.436 GPRESSAVG: 2101600 30.7596 -19.5012 -9.24932 -14.7805 -51.1004 33.2115 -8.86705 36.8939 84.9421 TIMING: 2101600 CPU: 6335.75, 0.00302288/step Wall: 6335.75, 0.00302288/step, 2.43376 hours remaining, 208.687500 MB of memory in use. ENERGY: 2101600 779.2061 2081.1828 1943.4632 115.2032 -205779.4750 17599.8785 0.0000 0.0000 34274.9374 -148985.6038 299.3316 -183260.5413 -148886.9031 299.6791 -117.0396 -86.7180 558545.0357 21.6373 21.5337 PRESSURE: 2101800 -232.452 60.1259 -4.48113 60.1253 -70.7953 -13.3302 -4.48109 -13.3288 -48.6252 GPRESSURE: 2101800 -183.792 147.902 33.6567 9.9866 -58.082 -67.0846 -15.2888 13.5437 -28.4525 PRESSAVG: 2101800 -42.1033 4.81705 -40.7115 4.81702 -73.7551 -20.0255 -40.7116 -20.0255 105.181 GPRESSAVG: 2101800 -41.8089 7.18332 -41.378 3.47015 -72.7847 -17.809 -40.8911 -20.2938 104.132 TIMING: 2101800 CPU: 6336.35, 0.0030295/step Wall: 6336.35, 0.0030295/step, 2.43892 hours remaining, 208.687500 MB of memory in use. ENERGY: 2101800 764.3709 2048.4151 1956.4070 109.3486 -205981.6100 17689.6587 0.0000 0.0000 34465.8014 -148947.6083 300.9984 -183413.4097 -148854.6983 300.5368 -117.2909 -90.1087 559395.5586 -3.5591 -3.4872 PRESSURE: 2102000 -184.298 -89.3537 -72.9878 -89.3535 50.1536 -1.17396 -72.9875 -1.1718 104.249 GPRESSURE: 2102000 -98.4008 -22.3448 -109.885 -86.2543 72.4403 -13.6005 3.6101 19.8123 107.631 PRESSAVG: 2102000 -21.4578 37.2237 -38.8292 37.2237 -2.69393 -16.0807 -38.8291 -16.0805 70.4286 GPRESSAVG: 2102000 -21.239 36.3881 -37.2747 33.1852 -4.22407 -15.9897 -39.4981 -15.8447 71.4566 TIMING: 2102000 CPU: 6336.95, 0.0029933/step Wall: 6336.95, 0.0029933/step, 2.40961 hours remaining, 208.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2102000 724.7991 2110.4447 1925.7417 112.3551 -205980.0447 17733.9982 0.0000 0.0000 34326.9495 -149045.7563 299.7858 -183372.7058 -148952.6452 300.0317 -9.9651 27.2235 556962.5678 15.4256 15.3312 PRESSURE: 2102200 -267.72 57.8416 -172.6 57.8427 -193.956 46.3481 -172.599 46.3502 -190.113 GPRESSURE: 2102200 -221.872 -22.6904 -219.51 151.983 -203.397 1.92872 -148.694 94.2915 -132.997 PRESSAVG: 2102200 -13.5166 33.7664 -6.17294 33.7664 1.47416 -5.7502 -6.1729 -5.75029 35.7928 GPRESSAVG: 2102200 -13.4239 34.7606 -6.80443 36.6189 2.18467 -9.05998 -5.92068 -5.24915 34.9723 TIMING: 2102200 CPU: 6337.55, 0.00300646/step Wall: 6337.55, 0.00300646/step, 2.42003 hours remaining, 208.949219 MB of memory in use. ENERGY: 2102200 752.8372 2120.5926 1926.9564 121.0197 -205796.1445 17609.3165 0.0000 0.0000 34259.5860 -149005.8362 299.1975 -183265.4222 -148910.3827 299.9116 -217.2629 -186.0885 559242.2527 7.9168 7.9110 PRESSURE: 2102400 337.804 -75.3732 -94.9914 -75.3725 -108.565 -41.192 -94.9921 -41.1925 -109.716 GPRESSURE: 2102400 375.781 -79.455 -7.68205 -33.3348 -118.469 19.0682 -168.568 -91.0304 -47.6025 PRESSAVG: 2102400 30.5792 -23.903 -0.958471 -23.9031 -68.2868 12.3272 -0.958463 12.3272 46.7209 GPRESSAVG: 2102400 29.6245 -25.9062 -0.0439063 -23.0683 -67.3836 16.5686 -0.626972 8.62992 46.6056 TIMING: 2102400 CPU: 6338.16, 0.00302545/step Wall: 6338.16, 0.00302545/step, 2.43515 hours remaining, 208.949219 MB of memory in use. ENERGY: 2102400 759.8556 2080.2453 1886.8945 113.4376 -206080.5275 17999.6912 0.0000 0.0000 34278.6998 -148961.7036 299.3644 -183240.4034 -148862.4894 299.2974 39.8410 69.9031 558868.6212 3.0044 2.9488 PRESSURE: 2102600 -54.5398 -93.8123 49.9246 -93.8124 -308.151 88.9211 49.9237 88.9197 -120.41 GPRESSURE: 2102600 -9.86563 -94.0148 56.6819 22.6763 -311.393 128.176 44.8031 6.18734 -69.5312 PRESSAVG: 2102600 45.9926 -16.8286 -15.0508 -16.8287 -39.8662 -52.9674 -15.0507 -52.9675 55.5451 GPRESSAVG: 2102600 46.8762 -15.4636 -15.3134 -16.7217 -41.1529 -53.9771 -16.6972 -52.2329 56.2366 TIMING: 2102600 CPU: 6338.76, 0.00302874/step Wall: 6338.76, 0.00302874/step, 2.43763 hours remaining, 208.949219 MB of memory in use. ENERGY: 2102600 747.4495 2057.4659 1924.4318 102.9945 -205785.3438 17444.7111 0.0000 0.0000 34421.2352 -149087.0558 300.6092 -183508.2909 -148990.2417 299.6516 -161.0338 -130.2632 558037.2732 20.5572 20.6533 PRESSURE: 2102800 11.6308 -23.8467 10.5158 -23.8463 -260.888 46.7789 10.516 46.7782 -366.498 GPRESSURE: 2102800 58.4625 40.7754 33.9606 -129.602 -228.077 70.7334 -30.475 -44.2166 -326.986 PRESSAVG: 2102800 13.5969 35.4403 43.3603 35.4404 9.78245 7.5203 43.3603 7.52029 -36.4101 GPRESSAVG: 2102800 13.0326 34.0866 41.1672 34.6252 10.1757 6.93639 45.7782 7.53673 -36.3904 TIMING: 2102800 CPU: 6339.37, 0.00303055/step Wall: 6339.37, 0.00303055/step, 2.43892 hours remaining, 208.949219 MB of memory in use. ENERGY: 2102800 790.3144 2077.0514 1924.9317 102.1360 -206044.6033 17723.5901 0.0000 0.0000 34357.8557 -149068.7239 300.0557 -183426.5796 -148971.4949 299.8520 -205.2517 -165.5336 559253.2243 -4.3436 -4.3940 PRESSURE: 2103000 -223.348 17.117 53.9497 17.118 66.7948 17.0907 53.9496 17.0912 168.807 GPRESSURE: 2103000 -110.577 8.04391 10.2998 0.659123 73.4592 54.0532 88.7825 -67.1713 146.842 PRESSAVG: 2103000 48.2275 -51.2525 6.31583 -51.2524 -57.9392 -20.3323 6.31594 -20.3323 -7.44208 GPRESSAVG: 2103000 48.8775 -53.3059 6.47825 -50.7818 -57.6166 -19.4575 6.19032 -20.0039 -8.6791 TIMING: 2103000 CPU: 6339.97, 0.00301806/step Wall: 6339.97, 0.00301806/step, 2.4287 hours remaining, 208.949219 MB of memory in use. ENERGY: 2103000 723.7638 2104.4347 1919.2718 112.1602 -206090.5350 17698.7899 0.0000 0.0000 34277.8297 -149254.2849 299.3568 -183532.1146 -149155.7826 299.9900 4.0844 36.5747 557097.2490 -5.7179 -5.8061 PRESSURE: 2103200 -119.947 0.512039 -132.974 0.512594 -288.451 -148.222 -132.972 -148.222 0.0943416 GPRESSURE: 2103200 -106.242 -62.885 -218.534 -8.91626 -255.109 -129.117 -175.849 -95.8668 48.8959 PRESSAVG: 2103200 7.56549 -25.1197 27.2986 -25.1196 20.5982 -69.1131 27.2986 -69.1132 -11.1233 GPRESSAVG: 2103200 8.15321 -25.0324 26.252 -23.4149 20.1829 -69.748 27.6069 -67.5382 -11.2469 TIMING: 2103200 CPU: 6340.59, 0.00307314/step Wall: 6340.59, 0.00307314/step, 2.47285 hours remaining, 208.949219 MB of memory in use. ENERGY: 2103200 769.6822 2007.8276 1931.2726 118.1211 -205859.8246 17598.2269 0.0000 0.0000 34206.1052 -149228.5891 298.7304 -183434.6943 -149141.1230 299.3137 -136.1011 -104.1516 558719.4166 5.6801 5.6964 PRESSURE: 2103400 88.2251 85.6468 54.6905 85.6468 317.613 -87.2809 54.6911 -87.2807 215.693 GPRESSURE: 2103400 87.2363 82.7603 41.5846 92.264 326.846 -74.3009 82.2143 -203.949 296.52 PRESSAVG: 2103400 12.6537 4.58305 42.4993 4.58305 -16.7866 -11.2751 42.4992 -11.275 17.0535 GPRESSAVG: 2103400 13.0716 6.46953 42.9426 2.90992 -16.2409 -11.8879 42.6997 -12.986 16.4045 TIMING: 2103400 CPU: 6341.2, 0.00306018/step Wall: 6341.2, 0.00306018/step, 2.46226 hours remaining, 208.949219 MB of memory in use. ENERGY: 2103400 746.3127 2047.2981 1926.2116 114.8131 -206232.5033 17967.1395 0.0000 0.0000 34280.2950 -149150.4334 299.3783 -183430.7284 -149051.5591 299.3284 207.1769 236.8676 556155.3972 4.3069 4.4117 PRESSURE: 2103600 49.8911 178.064 73.358 178.062 -292.782 144.36 73.3584 144.359 -174.48 GPRESSURE: 2103600 156.55 219.542 94.5604 235.733 -300.889 140.604 122.428 149.62 -172.714 PRESSAVG: 2103600 14.3716 25.6425 -35.1995 25.6425 15.488 21.9081 -35.1994 21.908 -10.8201 GPRESSAVG: 2103600 14.4563 25.9528 -34.7745 26.8665 14.6624 22.204 -34.4854 23.573 -9.80996 TIMING: 2103600 CPU: 6341.8, 0.00301068/step Wall: 6341.8, 0.00301068/step, 2.42226 hours remaining, 208.949219 MB of memory in use. ENERGY: 2103600 774.7638 2031.4317 1928.3343 127.3998 -205928.9518 17675.3717 0.0000 0.0000 34345.4145 -149046.2361 299.9470 -183391.6506 -148944.6882 299.5235 -139.1237 -105.6841 558367.2814 6.3465 6.4362 PRESSURE: 2103800 -29.8177 202.078 33.339 202.078 24.9223 24.0436 33.3375 24.0428 -33.4831 GPRESSURE: 2103800 16.6766 118.245 -65.8883 235.455 53.7304 65.2207 90.9233 -18.824 -21.2994 PRESSAVG: 2103800 -26.6672 68.3535 -43.5245 68.3535 -35.9942 33.8626 -43.5245 33.8626 37.964 GPRESSAVG: 2103800 -27.3254 66.9238 -44.279 68.0573 -35.1538 32.3522 -43.9329 33.5101 38.145 TIMING: 2103800 CPU: 6342.4, 0.00298896/step Wall: 6342.4, 0.00298896/step, 2.40462 hours remaining, 208.949219 MB of memory in use. ENERGY: 2103800 755.4541 2010.7479 1902.0660 117.5692 -206020.6451 17910.7909 0.0000 0.0000 34220.5070 -149103.5099 298.8562 -183324.0169 -149002.6929 299.7372 -12.7928 16.3692 557578.4064 -8.2325 -8.1114 PRESSURE: 2104000 -230.912 25.7603 -36.1547 25.7613 17.8368 132.196 -36.1543 132.196 -22.995 GPRESSURE: 2104000 -227.72 -16.4329 6.98186 29.4903 47.5437 94.6572 -89.0679 134.109 26.8435 PRESSAVG: 2104000 60.6409 66.0949 -10.8175 66.0949 -50.2854 33.0794 -10.8175 33.0793 2.803 GPRESSAVG: 2104000 60.8341 67.0664 -10.2121 65.5171 -49.7465 32.6597 -9.57764 34.7703 2.84469 TIMING: 2104000 CPU: 6343, 0.00299446/step Wall: 6343, 0.00299446/step, 2.40888 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: 2104000 746.8064 2062.5315 1944.8523 112.4706 -205814.0741 17733.5633 0.0000 0.0000 34185.9908 -149027.8592 298.5548 -183213.8500 -148936.6505 299.2878 -78.6901 -51.1110 558009.6573 4.3862 4.6441 PRESSURE: 2104200 64.1341 -33.568 -250.362 -33.5677 -62.8598 190.017 -250.361 190.017 -46.048 GPRESSURE: 2104200 107.98 -75.976 -285.114 -104.302 -23.1252 183.105 -274.48 207.621 -33.9781 PRESSAVG: 2104200 -41.9591 23.3794 -10.6147 23.3795 24.324 53.795 -10.6146 53.7949 20.9196 GPRESSAVG: 2104200 -41.9585 23.787 -12.2718 22.9477 23.9948 55.3177 -11.8485 53.5399 21.1151 TIMING: 2104200 CPU: 6343.59, 0.00297891/step Wall: 6343.59, 0.00297891/step, 2.3962 hours remaining, 208.949219 MB of memory in use. ENERGY: 2104200 744.5761 2057.6730 1933.1913 104.3328 -206066.9190 17776.8457 0.0000 0.0000 34354.4975 -149095.8025 300.0264 -183450.3000 -149005.0939 299.4475 -14.9246 16.9591 558002.9076 1.0948 1.0505 LDB: ============= START OF LOAD BALANCING ============== 6347.11 LDB: ============== END OF LOAD BALANCING =============== 6347.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6347.11 LDB: ============= START OF LOAD BALANCING ============== 6347.41 LDB: Largest compute 4772 load 0.030142 is 25.5% of average load 0.118144 LDB: Average compute 0.001729 is 1.5% of average load 0.118144 LDB: TIME 6347.41 LOAD: AVG 0.118144 MAX 0.204553 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.945 MB LDB: TIME 6347.41 LOAD: AVG 0.118144 MAX 0.204553 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.148 MB LDB: TIME 6347.41 LOAD: AVG 0.118144 MAX 0.204553 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.148 MB LDB: ============== END OF LOAD BALANCING =============== 6347.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6347.42 PRESSURE: 2104400 -310.072 153.991 -42.7609 153.991 125.846 45.8825 -42.76 45.8821 123.763 GPRESSURE: 2104400 -261.769 169.283 -114.31 136.347 91.5328 62.6931 55.2556 1.95285 211.315 PRESSAVG: 2104400 -0.228643 3.438 -33.044 3.43811 -0.71796 35.0587 -33.0441 35.0586 50.4826 GPRESSAVG: 2104400 -0.2265 5.02882 -30.8124 3.71607 -1.27045 37.2648 -33.4893 33.7255 50.6573 TIMING: 2104400 CPU: 6344.2, 0.00304583/step Wall: 6344.2, 0.00304583/step, 2.44986 hours remaining, 209.972656 MB of memory in use. ENERGY: 2104400 749.2014 2085.4590 1908.6064 100.6225 -206042.8940 17845.4730 0.0000 0.0000 34472.1719 -148881.3598 301.0541 -183353.5316 -148788.8407 300.2457 -20.1542 13.6928 559257.0978 16.5120 16.3868 PRESSURE: 2104600 -187.474 -18.3685 21.132 -18.3696 -202.203 17.3195 21.1316 17.3214 274.21 GPRESSURE: 2104600 -176.984 -28.6297 15.4162 -15.2552 -173.483 41.9422 39.4277 50.1232 323.379 PRESSAVG: 2104600 -70.2182 -27.9055 -23.9344 -27.9055 20.3723 -12.4914 -23.9343 -12.4914 34.5763 GPRESSAVG: 2104600 -70.1748 -30.6614 -24.1788 -26.7507 20.9635 -13.7642 -23.5265 -11.4577 34.1964 TIMING: 2104600 CPU: 6344.8, 0.00299584/step Wall: 6344.8, 0.00299584/step, 2.40949 hours remaining, 209.972656 MB of memory in use. ENERGY: 2104600 734.4850 2061.4066 1943.7801 106.6903 -206182.3869 17785.6273 0.0000 0.0000 34617.7877 -148932.6099 302.3257 -183550.3976 -148831.1181 299.6370 -38.4891 -9.0293 558217.5917 -5.0899 -5.0050 PRESSURE: 2104800 -347.743 -89.8559 -85.3515 -89.8549 -410.219 144.579 -85.3506 144.576 -243.496 GPRESSURE: 2104800 -261.018 -80.1742 -69.9611 -42.3988 -361.596 107.416 -71.3459 66.0766 -280.294 PRESSAVG: 2104800 -126.056 -21.7236 -16.5728 -21.7236 71.1405 0.873041 -16.5727 0.872918 37.0578 GPRESSAVG: 2104800 -125.738 -20.0665 -15.6882 -22.1935 70.8554 0.816151 -17.5046 -0.576897 37.2815 TIMING: 2104800 CPU: 6345.4, 0.00298192/step Wall: 6345.4, 0.00298192/step, 2.39813 hours remaining, 210.175781 MB of memory in use. ENERGY: 2104800 754.3749 2090.1014 1906.1468 123.8828 -205776.6408 17418.2760 0.0000 0.0000 34383.2327 -149100.6262 300.2773 -183483.8589 -148995.6494 300.2168 -333.8192 -300.9696 558942.6866 -5.9526 -5.8669 PRESSURE: 2105000 -79.8109 -136.737 18.8639 -136.737 219.59 -87.6828 18.8622 -87.6819 -208.804 GPRESSURE: 2105000 -1.24547 -110.83 18.078 -64.1357 181.928 -7.16529 5.13634 -83.3302 -155.668 PRESSAVG: 2105000 -57.4647 -11.9453 17.0268 -11.9454 42.2277 -45.7212 17.0268 -45.721 -10.2653 GPRESSAVG: 2105000 -56.7338 -10.3966 15.4843 -13.6446 42.2093 -46.407 16.7672 -45.885 -10.7661 TIMING: 2105000 CPU: 6346, 0.00299737/step Wall: 6346, 0.00299738/step, 2.41039 hours remaining, 210.175781 MB of memory in use. ENERGY: 2105000 755.3659 2125.0785 1944.4245 124.6889 -206302.7016 17956.0766 0.0000 0.0000 34278.0755 -149118.9916 299.3590 -183397.0671 -149033.1864 299.5417 -23.0081 8.3383 557013.5438 -8.5008 -8.4302 PRESSURE: 2105200 86.5062 -32.5016 43.1587 -32.502 -132.259 50.4216 43.1581 50.4217 90.4226 GPRESSURE: 2105200 205.769 -4.32155 59.0141 -90.9291 -133.043 57.4958 96.2674 -35.9475 69.2558 PRESSAVG: 2105200 -19.0743 -13.9372 1.08096 -13.9372 30.4989 -25.8701 1.08101 -25.8701 20.0785 GPRESSAVG: 2105200 -19.9653 -15.6147 0.0426767 -14.0265 30.275 -25.4732 3.76138 -25.6265 21.0835 TIMING: 2105200 CPU: 6346.6, 0.00298701/step Wall: 6346.6, 0.00298701/step, 2.40189 hours remaining, 210.175781 MB of memory in use. ENERGY: 2105200 741.0576 2121.8017 1928.3598 123.1790 -206186.9486 17704.1397 0.0000 0.0000 34494.1066 -149074.3043 301.2456 -183568.4109 -148982.7717 300.0191 14.8900 47.3270 557066.3877 10.5010 10.4644 PRESSURE: 2105400 -69.2006 -20.4764 75.7229 -20.4751 212.855 -21.3427 75.7235 -21.3412 -61.1168 GPRESSURE: 2105400 -21.0958 17.0241 103.46 -26.915 265.101 41.5345 77.0855 3.91531 -66.3403 PRESSAVG: 2105400 -5.26198 -29.5696 -17.7739 -29.5696 68.2393 26.6622 -17.7738 26.6623 -36.7659 GPRESSAVG: 2105400 -5.58032 -28.9177 -18.202 -28.7153 69.4914 25.1549 -18.0037 26.4429 -37.5884 TIMING: 2105400 CPU: 6347.19, 0.00299787/step Wall: 6347.19, 0.00299787/step, 2.41045 hours remaining, 210.175781 MB of memory in use. ENERGY: 2105400 780.6656 2051.7904 1912.9484 129.7458 -206258.0794 17943.3414 0.0000 0.0000 34323.8918 -149115.6961 299.7591 -183439.5879 -149021.5865 299.8795 27.5124 59.2218 557237.1719 8.7372 8.7743 PRESSURE: 2105600 97.8378 22.7891 7.04656 22.7896 -301.993 19.7242 7.04709 19.7244 39.8994 GPRESSURE: 2105600 155.164 63.5919 76.3938 50.2785 -213.518 -49.1231 -49.7919 30.2019 -0.407895 PRESSAVG: 2105600 45.0611 -18.6628 -12.3671 -18.6628 -95.9958 7.68633 -12.3671 7.68626 10.654 GPRESSAVG: 2105600 45.1579 -19.2066 -10.844 -18.9753 -96.3218 7.04498 -14.0008 9.34175 11.0163 TIMING: 2105600 CPU: 6347.79, 0.00299919/step Wall: 6347.79, 0.00299919/step, 2.41135 hours remaining, 210.175781 MB of memory in use. ENERGY: 2105600 760.6784 2134.6862 1937.3151 105.7984 -205769.0289 17620.5826 0.0000 0.0000 34334.4742 -148875.4940 299.8515 -183209.9682 -148782.3431 300.1829 -54.7521 -19.5874 556733.4793 -13.4269 -13.3825 PRESSURE: 2105800 -258.451 -94.4167 -105.253 -94.4171 -149.006 107.998 -105.254 107.997 -192.449 GPRESSURE: 2105800 -221.504 -41.0222 30.3934 -137.05 -123.972 173.337 -134.761 90.7938 -153.272 PRESSAVG: 2105800 7.41613 -32.3459 7.79407 -32.3459 0.0311759 37.7708 7.79413 37.7708 -9.43353 GPRESSAVG: 2105800 7.02091 -32.2859 8.07826 -30.2668 -0.228118 41.272 9.60405 34.2082 -8.38525 TIMING: 2105800 CPU: 6348.4, 0.00300187/step Wall: 6348.4, 0.00300187/step, 2.41334 hours remaining, 210.175781 MB of memory in use. ENERGY: 2105800 720.1148 2159.6397 1947.2670 125.5395 -205478.0031 17353.3591 0.0000 0.0000 34427.5712 -148744.5117 300.6645 -183172.0830 -148652.1792 300.5490 -199.9685 -166.2492 558383.1730 -0.6621 -0.5308 PRESSURE: 2106000 -161.441 -109.734 -179.833 -109.733 -174.54 27.0516 -179.833 27.0491 14.521 GPRESSURE: 2106000 -167.571 -25.6508 -174.835 -120.385 -116.087 9.69571 -190.288 -21.777 60.6278 PRESSAVG: 2106000 -60.8661 -69.0404 -39.3273 -69.0405 4.7568 35.2619 -39.3273 35.262 97.9266 GPRESSAVG: 2106000 -60.5988 -68.9298 -40.4258 -67.8195 4.33778 31.7485 -39.0593 38.501 97.8814 TIMING: 2106000 CPU: 6349, 0.00302445/step Wall: 6349, 0.00302445/step, 2.43132 hours remaining, 210.175781 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: 2106000 739.8670 2090.1969 1975.1528 103.7253 -205799.8393 17677.8712 0.0000 0.0000 34364.1723 -148848.8539 300.1109 -183213.0262 -148750.3248 300.4243 -107.1533 -74.3437 559525.6672 13.9391 13.8735 PRESSURE: 2106200 86.9449 -11.5112 -81.2811 -11.5117 -4.56998 -82.4506 -81.2794 -82.4496 194.755 GPRESSURE: 2106200 116.493 -46.0078 -99.6942 14.8955 58.6941 -117.553 -74.2957 -43.6957 215.105 PRESSAVG: 2106200 -11.8072 -30.2503 -32.2514 -30.2503 -62.4492 -8.2659 -32.2514 -8.26596 68.9637 GPRESSAVG: 2106200 -10.9429 -31.2476 -31.4335 -31.4737 -62.0286 -7.71175 -34.0766 -9.11315 67.2426 TIMING: 2106200 CPU: 6349.6, 0.00300379/step Wall: 6349.6, 0.00300379/step, 2.41455 hours remaining, 210.175781 MB of memory in use. ENERGY: 2106200 732.8288 2114.8836 1907.9031 102.6305 -206049.3058 17901.6993 0.0000 0.0000 34298.6389 -148990.7216 299.5385 -183289.3605 -148887.5220 299.8606 92.3766 130.0974 558182.7048 -1.7642 -1.9096 PRESSURE: 2106400 37.2866 -40.6754 23.9218 -40.6748 15.9654 7.75729 23.9212 7.75722 28.1037 GPRESSURE: 2106400 90.6668 -8.00612 10.2454 -49.0046 20.5898 5.86426 53.4295 25.9362 76.6753 PRESSAVG: 2106400 18.0877 -79.0098 -29.8197 -79.0098 28.4097 3.46782 -29.8196 3.46783 6.53167 GPRESSAVG: 2106400 16.7099 -78.7829 -32.1073 -79.5329 28.9344 4.4344 -29.4651 2.31518 7.44086 TIMING: 2106400 CPU: 6350.2, 0.00301755/step Wall: 6350.2, 0.00301755/step, 2.42544 hours remaining, 210.175781 MB of memory in use. ENERGY: 2106400 745.7572 2070.7660 1907.2594 122.9670 -205817.8387 17817.9499 0.0000 0.0000 34057.4588 -149095.6805 297.4323 -183153.1393 -148998.4296 299.0468 27.1186 62.6440 558470.6697 17.6764 17.6951 PRESSURE: 2106600 18.1034 -16.3283 49.0489 -16.3287 71.742 162.135 49.0487 162.136 15.1583 GPRESSURE: 2106600 71.2857 54.8607 -11.56 -47.1554 141.779 126.429 102.807 176.235 -1.85932 PRESSAVG: 2106600 -13.5352 -61.3317 -10.9982 -61.3317 76.6085 24.0565 -10.9982 24.0567 -0.68836 GPRESSAVG: 2106600 -12.8301 -59.9078 -9.58656 -60.1874 77.954 23.7339 -11.5213 24.4496 -2.30252 TIMING: 2106600 CPU: 6350.81, 0.00301577/step Wall: 6350.81, 0.00301577/step, 2.42384 hours remaining, 210.175781 MB of memory in use. ENERGY: 2106600 733.8829 2098.7979 1938.1614 116.6258 -206370.7311 18032.3770 0.0000 0.0000 34285.0389 -149165.8471 299.4198 -183450.8860 -149068.4084 299.3346 35.0012 70.4017 557606.4100 20.7950 20.9405 PRESSURE: 2106800 35.1559 6.32561 -45.5672 6.32632 183.591 -33.9654 -45.568 -33.9654 95.2482 GPRESSURE: 2106800 49.1611 74.1251 -4.97449 -73.8677 191.67 -62.2771 -43.9799 -33.2426 187.725 PRESSAVG: 2106800 31.4946 -17.8056 33.9479 -17.8055 7.06783 30.8611 33.9478 30.8612 -37.2824 GPRESSAVG: 2106800 31.4503 -19.3041 34.6071 -19.007 5.87725 30.1525 33.8191 30.9452 -36.1437 TIMING: 2106800 CPU: 6351.41, 0.00300508/step Wall: 6351.41, 0.00300508/step, 2.41508 hours remaining, 210.175781 MB of memory in use. ENERGY: 2106800 742.2082 2086.7002 1919.1902 122.8067 -206136.5217 17792.9136 0.0000 0.0000 34246.0787 -149226.6243 299.0795 -183472.7030 -149131.1052 299.5032 104.6651 142.8520 556084.1672 0.4267 0.3946 PRESSURE: 2107000 -123.929 134.982 151.185 134.984 -208.195 49.8645 151.184 49.8639 -482.056 GPRESSURE: 2107000 -91.3427 140.871 231.578 97.8873 -193.807 87.5332 50.0915 45.3364 -423.079 PRESSAVG: 2107000 110.253 -19.6256 14.082 -19.6255 -53.6183 42.2207 14.082 42.2207 -111.918 GPRESSAVG: 2107000 110.443 -19.8488 15.07 -19.3473 -54.9723 41.2583 13.1729 40.5795 -110.423 TIMING: 2107000 CPU: 6352.02, 0.00303486/step Wall: 6352.02, 0.00303486/step, 2.43885 hours remaining, 210.175781 MB of memory in use. ENERGY: 2107000 768.1439 2064.7882 1947.5344 107.6119 -205622.0484 17286.2639 0.0000 0.0000 34326.8787 -149120.8275 299.7852 -183447.7061 -149023.3926 299.4337 -271.3932 -236.0761 557962.6239 -18.4277 -18.3173 PRESSURE: 2107200 -22.3212 74.7722 145.792 74.7734 -31.7833 -5.58817 145.793 -5.58743 -259.138 GPRESSURE: 2107200 52.6951 24.8074 112.314 43.2744 -24.1809 -47.5742 89.3565 15.2292 -244.118 PRESSAVG: 2107200 9.2675 2.40259 19.8933 2.40265 30.593 12.3545 19.8933 12.3544 -10.6693 GPRESSAVG: 2107200 9.74314 2.81165 17.6597 2.68845 31.6591 11.2191 20.5986 15.5314 -12.2944 TIMING: 2107200 CPU: 6352.63, 0.00306106/step Wall: 6352.63, 0.00306106/step, 2.45973 hours remaining, 210.175781 MB of memory in use. ENERGY: 2107200 797.3292 2072.8869 1910.0482 110.3248 -206260.5287 17801.0235 0.0000 0.0000 34237.8591 -149331.0569 299.0077 -183568.9160 -149236.7876 299.1800 -104.4143 -71.8681 556056.4231 9.7304 9.7026 PRESSURE: 2107400 -239.792 -104.632 105.472 -104.632 41.3337 59.2458 105.473 59.2451 -236.685 GPRESSURE: 2107400 -205.272 -127.648 39.2131 -60.3286 59.657 12.8285 107.716 32.0126 -186.337 PRESSAVG: 2107400 0.134821 -29.9742 -2.7001 -29.9742 5.1375 -20.5388 -2.7002 -20.5388 -35.093 GPRESSAVG: 2107400 -0.055923 -28.8828 -0.25549 -31.6785 3.7814 -20.4205 -2.01815 -20.4109 -34.3374 TIMING: 2107400 CPU: 6353.24, 0.00304264/step Wall: 6353.24, 0.00304264/step, 2.44476 hours remaining, 210.175781 MB of memory in use. ENERGY: 2107400 717.0911 2060.8037 1919.1358 114.8677 -205931.2521 17716.6879 0.0000 0.0000 34330.4723 -149072.1936 299.8166 -183402.6659 -148973.0268 299.2931 -145.0478 -110.6506 558967.4510 -9.9402 -10.2040 PRESSURE: 2107600 -68.4264 42.3878 47.6479 42.3887 33.0542 -18.9644 47.6481 -18.9635 -107.481 GPRESSURE: 2107600 -29.9136 82.6253 53.5477 -44.2023 42.8899 -24.25 52.5464 2.12461 -65.2364 PRESSAVG: 2107600 -30.2782 -21.2875 -40.0874 -21.2875 22.5324 -10.9917 -40.0874 -10.9918 19.0014 GPRESSAVG: 2107600 -31.2312 -22.6998 -42.2263 -20.1439 22.5047 -10.1 -40.289 -11.8322 20.2137 TIMING: 2107600 CPU: 6353.84, 0.00300155/step Wall: 6353.84, 0.00300155/step, 2.41158 hours remaining, 210.175781 MB of memory in use. ENERGY: 2107600 764.7195 2035.0855 1911.3277 118.2201 -206149.5122 17909.9043 0.0000 0.0000 34232.3439 -149177.9113 298.9596 -183410.2552 -149081.8914 299.5678 -47.6178 -17.4200 558187.8247 3.7519 3.8291 PRESSURE: 2107800 -48.8007 -63.0959 158.59 -63.0967 -197.023 193.019 158.59 193.017 128.609 GPRESSURE: 2107800 0.0295772 3.04276 112.096 -105.43 -124.223 228.334 181.562 191.89 106.695 PRESSAVG: 2107800 -23.5557 -33.7604 17.0796 -33.7605 -24.4495 -41.7293 17.0795 -41.7293 47.1573 GPRESSAVG: 2107800 -22.9866 -34.0603 18.0823 -32.8101 -23.3063 -40.4469 17.4131 -41.4309 44.9091 TIMING: 2107800 CPU: 6354.44, 0.00299364/step Wall: 6354.44, 0.00299364/step, 2.40506 hours remaining, 210.175781 MB of memory in use. ENERGY: 2107800 731.0071 2066.4839 1939.9653 125.3316 -206061.0074 17591.0346 0.0000 0.0000 34488.8810 -149118.3040 301.2000 -183607.1850 -149027.9170 300.2874 -39.0716 -5.8328 558272.3679 -0.2827 -0.4612 PRESSURE: 2108000 -51.8242 -69.5985 -52.3054 -69.5966 -108.939 -28.3337 -52.3045 -28.3345 -158.644 GPRESSURE: 2108000 -71.618 -72.3957 1.9527 -52.3455 -73.2425 -57.4865 -114.963 -32.6989 -77.5455 PRESSAVG: 2108000 23.325 -30.1607 19.4448 -30.1607 -60.9757 -30.2615 19.4448 -30.2614 71.0653 GPRESSAVG: 2108000 22.4096 -30.8981 19.799 -30.1013 -61.7592 -30.3571 17.9002 -31.9302 72.3373 TIMING: 2108000 CPU: 6355.04, 0.00300014/step Wall: 6355.04, 0.00300014/step, 2.41011 hours remaining, 210.175781 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: 2108000 770.1548 2050.3868 1935.5340 108.2776 -205920.7627 17792.8598 0.0000 0.0000 34227.6562 -149035.8935 298.9186 -183263.5497 -148940.9492 299.8163 -106.4691 -74.1353 558342.8743 11.1382 10.9959 PRESSURE: 2108200 -23.073 36.9905 -107.877 36.9902 -89.1779 141.34 -107.875 141.339 -142.612 GPRESSURE: 2108200 9.85923 94.4966 -53.0173 -20.6952 -20.1097 70.357 -86.3332 126.934 -150.033 PRESSAVG: 2108200 45.8124 11.8705 7.56898 11.8705 -20.2534 11.6121 7.56894 11.612 -26.7866 GPRESSAVG: 2108200 45.6878 12.938 8.56647 11.6634 -19.7753 11.8878 7.02103 11.4751 -26.8874 TIMING: 2108200 CPU: 6355.64, 0.00301815/step Wall: 6355.64, 0.00301815/step, 2.42441 hours remaining, 210.175781 MB of memory in use. ENERGY: 2108200 740.1064 2038.0422 1921.9822 103.1952 -205740.9355 17679.0841 0.0000 0.0000 34259.7698 -148998.7555 299.1991 -183258.5254 -148901.6231 299.8643 -84.9544 -53.4278 557833.9067 -0.4092 -0.3250 LDB: ============= START OF LOAD BALANCING ============== 6359.15 LDB: ============== END OF LOAD BALANCING =============== 6359.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6359.16 LDB: ============= START OF LOAD BALANCING ============== 6359.45 LDB: Largest compute 4772 load 0.031235 is 26.5% of average load 0.118065 LDB: Average compute 0.001732 is 1.5% of average load 0.118065 LDB: TIME 6359.46 LOAD: AVG 0.118065 MAX 0.204489 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.039 MB LDB: TIME 6359.46 LOAD: AVG 0.118065 MAX 0.204489 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.105 MB LDB: TIME 6359.46 LOAD: AVG 0.118065 MAX 0.204489 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.105 MB LDB: ============== END OF LOAD BALANCING =============== 6359.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6359.46 PRESSURE: 2108400 -218.958 94.1857 151.658 94.1859 212.055 120.361 151.658 120.362 100.463 GPRESSURE: 2108400 -146.067 140.629 235.338 127.758 209.717 103.6 53.7097 102.035 140.243 PRESSAVG: 2108400 22.196 54.1694 6.78348 54.1694 -44.0324 0.762317 6.78351 0.76245 26.2506 GPRESSAVG: 2108400 23.448 55.1235 5.55466 52.0019 -45.2735 0.61622 9.78916 1.69083 25.646 TIMING: 2108400 CPU: 6356.25, 0.00303909/step Wall: 6356.25, 0.00303909/step, 2.44107 hours remaining, 208.738281 MB of memory in use. ENERGY: 2108400 745.1584 2107.1070 1936.2321 121.5813 -205955.9281 17811.8719 0.0000 0.0000 34257.9110 -148976.0664 299.1829 -183233.9774 -148889.6789 299.4520 31.1867 67.9642 558714.9620 1.4714 1.2735 PRESSURE: 2108600 -195.129 117.645 -128.188 117.645 -73.2286 54.9879 -128.188 54.989 -310.279 GPRESSURE: 2108600 -172.643 84.9788 -98.6695 146.1 -93.3999 20.4346 -145.566 60.8201 -217.705 PRESSAVG: 2108600 25.6818 50.5027 24.4767 50.5027 -61.9145 14.6834 24.4767 14.6834 67.3738 GPRESSAVG: 2108600 26.0926 50.3448 24.4759 50.9631 -61.3964 15.7984 24.1109 14.5625 66.5681 TIMING: 2108600 CPU: 6356.85, 0.00299607/step Wall: 6356.85, 0.00299607/step, 2.40634 hours remaining, 208.941406 MB of memory in use. ENERGY: 2108600 726.2345 2091.0394 1925.5868 111.6353 -206005.6586 17644.9697 0.0000 0.0000 34244.3688 -149261.8241 299.0646 -183506.1929 -149177.4832 299.7611 -192.8791 -161.2496 559770.5815 10.3804 10.4214 PRESSURE: 2108800 -261.052 -17.3059 25.4469 -17.3049 -214.958 175.287 25.4475 175.289 -62.1699 GPRESSURE: 2108800 -180.208 -45.0987 48.4614 -7.94535 -222.175 134.926 0.208698 141.104 -54.1947 PRESSAVG: 2108800 -34.1771 43.014 -40.842 43.0139 -11.8432 3.09911 -40.8419 3.09921 46.5114 GPRESSAVG: 2108800 -36.3622 40.8615 -38.3175 44.999 -11.2592 1.4015 -40.9953 4.11384 47.1435 TIMING: 2108800 CPU: 6357.45, 0.00299719/step Wall: 6357.45, 0.00299719/step, 2.40707 hours remaining, 208.941406 MB of memory in use. ENERGY: 2108800 786.1040 2071.8473 1922.5927 114.2067 -206035.4694 17677.3466 0.0000 0.0000 34117.0162 -149346.3559 297.9524 -183463.3721 -149250.2544 299.2291 -179.3933 -152.1926 558360.4710 0.1637 -0.1593 PRESSURE: 2109000 -134.12 -18.4845 151.912 -18.4829 -93.071 126.358 151.911 126.357 -38.2328 GPRESSURE: 2109000 -108.98 -123.928 73.7062 8.69838 -72.8538 59.9759 169.391 86.8157 16.5406 PRESSAVG: 2109000 -5.66086 47.713 40.3085 47.7129 -34.5966 34.5223 40.3086 34.5223 61.1651 GPRESSAVG: 2109000 -4.23424 48.291 37.9567 46.9846 -35.3627 36.1992 41.5572 33.5396 60.881 TIMING: 2109000 CPU: 6358.04, 0.00299709/step Wall: 6358.04, 0.00299709/step, 2.40683 hours remaining, 208.941406 MB of memory in use. ENERGY: 2109000 727.6614 2044.9890 1915.9023 121.5191 -206009.0122 17650.1762 0.0000 0.0000 34280.4103 -149268.3538 299.3793 -183548.7642 -149166.6401 298.8369 -88.4745 -55.0979 556962.2036 6.9692 7.0947 PRESSURE: 2109200 -95.9819 -10.9928 103.784 -10.9937 -210.328 30.2083 103.785 30.2078 -56.495 GPRESSURE: 2109200 -90.0202 57.3155 87.6182 8.3414 -155.306 23.0254 127.012 -12.048 -13.773 PRESSAVG: 2109200 0.302674 -13.7998 46.0876 -13.7997 -35.9537 -14.9522 46.0877 -14.9521 25.8015 GPRESSAVG: 2109200 -0.510759 -13.2234 47.5418 -15.8656 -35.1726 -14.2023 43.4862 -15.6382 25.8061 TIMING: 2109200 CPU: 6358.64, 0.00299111/step Wall: 6358.64, 0.00299111/step, 2.40186 hours remaining, 208.941406 MB of memory in use. ENERGY: 2109200 775.4465 2024.1039 1913.1159 115.0350 -206143.2174 17697.4742 0.0000 0.0000 34276.8444 -149341.1977 299.3482 -183618.0421 -149251.1061 299.0990 -120.9349 -86.3663 557415.3710 -3.2832 -3.2924 PRESSURE: 2109400 49.4882 -77.4381 -111.552 -77.4385 -129.014 50.4198 -111.551 50.4193 -109.782 GPRESSURE: 2109400 53.7232 -68.3075 -68.3013 -73.3798 -89.1443 28.5949 -150.108 75.7481 -41.7925 PRESSAVG: 2109400 -2.92038 -24.6347 42.9612 -24.6346 -29.0645 -19.1653 42.9612 -19.1654 -0.631291 GPRESSAVG: 2109400 -2.35104 -25.3821 41.7307 -23.4392 -30.3618 -20.0554 43.001 -18.038 -0.296305 TIMING: 2109400 CPU: 6359.25, 0.0030278/step Wall: 6359.25, 0.0030278/step, 2.43116 hours remaining, 208.941406 MB of memory in use. ENERGY: 2109400 746.2384 2032.9412 1949.3711 112.8990 -206029.2262 17752.9550 0.0000 0.0000 34291.4012 -149143.4203 299.4753 -183434.8215 -149056.1267 298.3259 -63.1025 -25.7379 558747.8473 -10.8721 -11.0030 PRESSURE: 2109600 -75.8431 18.6691 94.1726 18.6698 -14.9223 -24.0904 94.1735 -24.0913 149.347 GPRESSURE: 2109600 -23.6431 10.2096 21.9774 -31.6576 -11.8591 19.1114 92.8608 -53.3258 189.96 PRESSAVG: 2109600 56.0604 -0.378316 -13.0447 -0.378323 -40.1638 36.8841 -13.0446 36.8839 -23.8253 GPRESSAVG: 2109600 56.1987 1.27912 -13.5172 -0.161714 -39.9729 35.7664 -11.2832 36.6154 -23.9683 TIMING: 2109600 CPU: 6359.85, 0.00299987/step Wall: 6359.85, 0.00299987/step, 2.40857 hours remaining, 208.941406 MB of memory in use. ENERGY: 2109600 777.6466 2143.3937 1936.9097 118.5985 -206450.8635 17921.9817 0.0000 0.0000 34349.9763 -149202.3571 299.9869 -183552.3334 -149106.4680 299.2887 19.5271 51.4858 557841.2414 -2.6429 -2.5809 PRESSURE: 2109800 146.658 37.3403 34.2441 37.3397 -21.4837 64.6852 34.2434 64.6847 -108.973 GPRESSURE: 2109800 224.789 12.8619 68.6768 1.19392 -39.9259 95.3898 22.0294 96.5169 -66.5876 PRESSAVG: 2109800 -17.0588 -0.663138 2.09056 -0.663114 -60.9012 2.04632 2.09062 2.04631 41.0882 GPRESSAVG: 2109800 -17.2488 -1.07086 1.46683 0.709586 -60.7166 1.04578 2.75216 1.61191 41.0283 TIMING: 2109800 CPU: 6360.45, 0.00301415/step Wall: 6360.45, 0.00301415/step, 2.41986 hours remaining, 209.203125 MB of memory in use. ENERGY: 2109800 735.7055 2082.0011 1959.3236 108.5992 -206431.2944 17955.5293 0.0000 0.0000 34258.5729 -149331.5628 299.1886 -183590.1357 -149237.8049 299.4285 5.4004 39.4251 558186.5342 -12.2906 -12.3124 PRESSURE: 2110000 7.44835 -150.721 -178.527 -150.722 -100.695 34.4925 -178.528 34.4933 -46.1097 GPRESSURE: 2110000 67.9144 -72.7504 -172.03 -200.307 -59.6394 4.94844 -161.353 5.63159 -41.8448 PRESSAVG: 2110000 -35.9884 -41.605 -19.3369 -41.6052 -22.6468 46.7084 -19.3369 46.7084 96.9384 GPRESSAVG: 2110000 -36.8553 -42.113 -18.4695 -42.9003 -22.6468 47.0468 -19.6654 47.1468 98.1492 TIMING: 2110000 CPU: 6361.05, 0.0030142/step Wall: 6361.05, 0.0030142/step, 2.41974 hours remaining, 209.203125 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: 2110000 701.9411 2032.2781 1938.5414 115.9505 -206005.8198 17767.3489 0.0000 0.0000 34409.8358 -149039.9240 300.5097 -183449.7598 -148945.8414 299.5766 -46.4522 -11.1899 558515.3555 12.7677 12.8824 PRESSURE: 2110200 -43.4363 -17.4318 91.0384 -17.4317 69.5844 79.454 91.0392 79.4537 28.7484 GPRESSURE: 2110200 24.8375 -32.8566 34.0179 -32.1 95.6282 90.7588 176.11 16.3556 34.3123 PRESSAVG: 2110200 12.5616 -22.0662 -2.22161 -22.0663 -13.2479 27.0252 -2.22157 27.0252 58.3152 GPRESSAVG: 2110200 12.6284 -22.102 -1.62142 -22.1251 -12.0126 28.7516 -4.32913 26.9482 57.3823 TIMING: 2110200 CPU: 6361.65, 0.00297904/step Wall: 6361.65, 0.00297904/step, 2.39134 hours remaining, 209.203125 MB of memory in use. ENERGY: 2110200 735.4072 2074.6662 1946.2273 117.0630 -206090.6718 17819.7531 0.0000 0.0000 34424.0161 -148973.5390 300.6335 -183397.5551 -148877.6289 300.0863 18.2988 51.5927 558936.2140 19.2096 19.3327 PRESSURE: 2110400 20.9954 -36.4458 71.3899 -36.4463 80.2846 -57.7417 71.3889 -57.7439 71.1677 GPRESSURE: 2110400 57.4848 -12.9519 136.974 -11.0064 69.6562 -34.0395 9.31786 -3.85043 130.13 PRESSAVG: 2110400 5.13373 8.69971 -12.3106 8.69972 23.19 14.4229 -12.3107 14.4229 3.35361 GPRESSAVG: 2110400 5.55773 9.39607 -14.9919 9.72214 22.7927 13.9936 -10.4031 13.3257 3.33198 TIMING: 2110400 CPU: 6362.25, 0.0030075/step Wall: 6362.25, 0.0030075/step, 2.41402 hours remaining, 209.203125 MB of memory in use. ENERGY: 2110400 720.0043 2087.5516 1915.9997 117.5101 -205909.2526 17734.5039 0.0000 0.0000 34312.5031 -149021.1798 299.6596 -183333.6829 -148923.0141 299.4397 57.4826 85.7570 557419.0803 10.5591 10.5608 PRESSURE: 2110600 -107.443 -70.4684 173.988 -70.4679 -153.271 13.6453 173.989 13.6452 -203.353 GPRESSURE: 2110600 -75.2446 -32.0042 219.555 -58.8781 -71.3776 -63.6721 158.745 -45.1367 -214.871 PRESSAVG: 2110600 31.2694 4.99482 1.8733 4.99484 29.8424 -53.8627 1.87324 -53.8627 -11.898 GPRESSAVG: 2110600 31.6612 4.62215 4.32333 3.10697 29.9752 -53.5637 0.413123 -51.9806 -12.4049 TIMING: 2110600 CPU: 6362.85, 0.002991/step Wall: 6362.85, 0.002991/step, 2.40061 hours remaining, 209.203125 MB of memory in use. ENERGY: 2110600 740.1467 2082.4893 1961.0922 111.7674 -205457.8048 17482.8324 0.0000 0.0000 34025.5925 -149053.8842 297.1540 -183079.4767 -148955.6892 299.6109 -154.6888 -120.4978 558193.3316 16.4046 16.4105 PRESSURE: 2110800 190.527 -59.9902 48.7474 -59.9902 -117.02 132.857 48.7464 132.857 16.9496 GPRESSURE: 2110800 160.528 -70.0285 20.7427 -51.4172 -74.1197 126.32 69.0579 88.3358 89.3383 PRESSAVG: 2110800 48.7961 -32.6958 -12.5056 -32.6958 3.85654 -29.3338 -12.5055 -29.3339 -17.0728 GPRESSAVG: 2110800 48.0422 -31.5452 -11.4031 -32.0232 3.24175 -30.7551 -12.3203 -29.4419 -15.705 TIMING: 2110800 CPU: 6363.45, 0.00300791/step Wall: 6363.45, 0.00300791/step, 2.41401 hours remaining, 209.203125 MB of memory in use. ENERGY: 2110800 733.8527 2052.0349 1942.2946 113.0840 -205920.3744 17768.8923 0.0000 0.0000 34112.2834 -149197.9325 297.9111 -183310.2159 -149097.6621 299.3982 30.1520 58.5822 558120.7721 11.8599 11.8596 PRESSURE: 2111000 -116.471 36.724 132.399 36.7229 27.7804 -47.224 132.399 -47.2228 305.897 GPRESSURE: 2111000 -99.4795 51.9398 202.34 -37.36 70.4948 -7.02888 96.4004 -15.4958 347.12 PRESSAVG: 2111000 -31.3967 -43.5613 36.4185 -43.5613 -12.1577 37.8117 36.4186 37.8118 24.736 GPRESSAVG: 2111000 -31.345 -44.8312 35.3924 -43.3923 -12.2919 39.2128 36.245 37.6986 25.2302 TIMING: 2111000 CPU: 6364.05, 0.00299656/step Wall: 6364.05, 0.00299656/step, 2.40474 hours remaining, 209.203125 MB of memory in use. ENERGY: 2111000 750.4986 2111.8255 1939.9550 120.9286 -206417.5561 17980.5096 0.0000 0.0000 34407.2077 -149106.6312 300.4867 -183513.8389 -149011.8955 299.4514 72.4020 106.0450 557134.2309 -6.2728 -6.1356 PRESSURE: 2111200 113.866 125.025 -81.6862 125.026 -1.22641 193.549 -81.686 193.549 118.728 GPRESSURE: 2111200 100.814 93.9735 -151 108.965 70.8115 126.707 -25.0912 208.382 150.561 PRESSAVG: 2111200 0.00318628 43.9556 -15.2514 43.9556 -9.74328 -8.78393 -15.2514 -8.78383 32.3509 GPRESSAVG: 2111200 -1.05391 43.0032 -16.4183 44.4481 -8.41423 -10.2308 -15.582 -9.99743 32.1607 TIMING: 2111200 CPU: 6364.65, 0.00300358/step Wall: 6364.65, 0.00300358/step, 2.41021 hours remaining, 209.203125 MB of memory in use. ENERGY: 2111200 722.5364 2019.8811 1911.8678 117.7749 -206037.6453 17856.1853 0.0000 0.0000 34244.0271 -149165.3727 299.0616 -183409.3998 -149066.4722 299.8382 77.1225 107.3957 556530.2179 7.5369 7.5642 PRESSURE: 2111400 -170.02 3.21935 17.5563 3.2189 120.615 -181.833 17.5565 -181.833 -251.696 GPRESSURE: 2111400 -143.938 -15.7381 -18.1793 -5.3743 126.887 -97.6603 60.5732 -217.272 -181.646 PRESSAVG: 2111400 -16.4929 21.5892 -43.2103 21.5892 -15.7678 7.75619 -43.2104 7.75616 24.4633 GPRESSAVG: 2111400 -15.0285 21.2984 -41.5138 23.3162 -15.5996 6.88402 -42.111 9.32005 22.455 TIMING: 2111400 CPU: 6365.26, 0.00302132/step Wall: 6365.26, 0.00302132/step, 2.42427 hours remaining, 209.203125 MB of memory in use. ENERGY: 2111400 757.1844 2132.9362 1949.8822 97.1625 -205919.7391 17609.6208 0.0000 0.0000 34213.0222 -149159.9308 298.7908 -183372.9530 -149062.8788 299.4111 -100.3669 -66.2324 558778.4998 -2.5991 -2.7244 PRESSURE: 2111600 31.8337 203.221 72.7167 203.22 -332.26 -19.1984 72.7158 -19.198 -125.332 GPRESSURE: 2111600 64.689 187.751 96.8062 204.001 -321.412 -53.7162 77.0848 -2.78551 -86.2996 PRESSAVG: 2111600 37.2146 23.4403 47.8612 23.4403 -32.3928 -21.2547 47.8612 -21.2547 -11.3376 GPRESSAVG: 2111600 36.519 26.098 46.0485 19.727 -32.7903 -20.2156 46.8108 -21.5009 -9.60607 TIMING: 2111600 CPU: 6365.86, 0.00301127/step Wall: 6365.86, 0.00301127/step, 2.41604 hours remaining, 209.203125 MB of memory in use. ENERGY: 2111600 756.6761 2101.7514 1934.5230 116.9280 -206403.3620 17835.3941 0.0000 0.0000 34370.9135 -149287.1759 300.1697 -183658.0894 -149184.1414 299.3503 -141.9195 -114.3408 558525.0574 -2.1719 -1.9591 PRESSURE: 2111800 -214.926 -3.27853 -64.5646 -3.27849 -224.325 61.4552 -64.5639 61.4552 -302.062 GPRESSURE: 2111800 -118.416 -15.4608 -60.3709 -38.0902 -225.956 66.8705 -93.1045 69.888 -319.517 PRESSAVG: 2111800 43.0312 2.51697 15.7149 2.51693 -19.6223 -16.0866 15.7151 -16.0866 1.0223 GPRESSAVG: 2111800 44.0846 1.18629 18.0999 4.18239 -19.6608 -14.7345 15.0777 -16.1669 0.416458 TIMING: 2111800 CPU: 6366.46, 0.00300514/step Wall: 6366.46, 0.00300514/step, 2.41096 hours remaining, 209.203125 MB of memory in use. ENERGY: 2111800 760.5361 2084.1725 1963.6008 122.9169 -206167.1887 17702.7531 0.0000 0.0000 34159.1679 -149374.0415 298.3205 -183533.2094 -149270.3759 298.9426 -247.1041 -221.2961 558864.5995 8.1438 8.2801 PRESSURE: 2112000 -242.358 -6.27599 -126.756 -6.27726 -78.2577 75.1374 -126.754 75.1395 11.5423 GPRESSURE: 2112000 -144.652 103.271 -166.832 -12.7536 -65.0918 105.887 -146.592 59.8937 -1.36481 PRESSAVG: 2112000 -0.369893 39.5418 26.6114 39.5419 3.57128 2.35375 26.6115 2.35364 1.91859 GPRESSAVG: 2112000 0.190227 40.2928 24.43 36.9841 4.45454 1.81009 28.2656 4.14112 0.590484 TIMING: 2112000 CPU: 6367.06, 0.00301215/step Wall: 6367.06, 0.00301215/step, 2.41641 hours remaining, 209.437500 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: 2112000 751.4475 2088.6773 1937.3813 117.9196 -206099.4972 17638.1109 0.0000 0.0000 34211.2822 -149354.6783 298.7756 -183565.9605 -149259.0227 298.8452 -103.0246 -70.3696 557354.4529 1.7067 1.7451 PRESSURE: 2112200 -202.783 188.058 -31.4839 188.057 -253.955 -22.4475 -31.4826 -22.4476 1.45415 GPRESSURE: 2112200 -170.656 48.25 -46.8651 213.227 -178.978 -103.353 -22.6895 -32.3889 5.96238 PRESSAVG: 2112200 -34.9303 22.086 -40.5312 22.086 -17.6652 -4.34824 -40.5312 -4.34816 32.5426 GPRESSAVG: 2112200 -35.2201 19.7494 -41.1118 22.9528 -18.5885 -4.37515 -40.9242 -6.63146 33.9786 TIMING: 2112200 CPU: 6367.66, 0.00298482/step Wall: 6367.66, 0.00298482/step, 2.39433 hours remaining, 209.437500 MB of memory in use. ENERGY: 2112200 740.5793 2067.9784 1934.6855 111.1636 -206114.2879 17700.0457 0.0000 0.0000 34243.2636 -149316.5718 299.0549 -183559.8354 -149219.9084 298.2545 -151.7611 -114.5572 557117.0569 -6.6843 -6.6100 LDB: ============= START OF LOAD BALANCING ============== 6371.17 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6371.17 LDB: =============== DONE WITH MIGRATION ================ 6371.18 LDB: ============= START OF LOAD BALANCING ============== 6371.48 LDB: Largest compute 4801 load 0.029479 is 25.0% of average load 0.117961 LDB: Average compute 0.001738 is 1.5% of average load 0.117961 LDB: TIME 6371.48 LOAD: AVG 0.117961 MAX 0.205641 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.43 MB LDB: TIME 6371.48 LOAD: AVG 0.117961 MAX 0.205641 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: TIME 6371.48 LOAD: AVG 0.117961 MAX 0.205641 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: ============== END OF LOAD BALANCING =============== 6371.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6371.48 PRESSURE: 2112400 -56.4288 14.6275 25.9091 14.629 -72.353 102.252 25.9093 102.252 86.0463 GPRESSURE: 2112400 -43.6663 -36.9741 130.727 126.436 -93.0991 114.668 20.866 95.1533 157.732 PRESSAVG: 2112400 -9.51185 -24.6133 6.82895 -24.6133 -22.6254 9.3769 6.82897 9.37684 75.5139 GPRESSAVG: 2112400 -9.4908 -23.7976 8.44717 -24.8989 -22.2321 11.3518 4.99612 7.65815 74.9792 TIMING: 2112400 CPU: 6368.27, 0.00304631/step Wall: 6368.27, 0.00304631/step, 2.44348 hours remaining, 207.917969 MB of memory in use. ENERGY: 2112400 730.3989 2079.6457 1956.3454 107.9141 -205808.0907 17598.6107 0.0000 0.0000 34085.1987 -149249.9772 297.6745 -183335.1760 -149145.4949 298.7624 -14.2452 6.9887 557382.0475 14.4589 14.4188 PRESSURE: 2112600 -122.343 104.101 83.5206 104.1 -147.909 -72.5642 83.5203 -72.5639 305.681 GPRESSURE: 2112600 -92.6138 50.7944 45.4113 51.1315 -86.8016 -31.2206 100.961 -95.5159 325.706 PRESSAVG: 2112600 -23.0934 -35.218 6.17189 -35.2179 7.6856 0.947839 6.17178 0.947773 31.071 GPRESSAVG: 2112600 -22.8596 -36.4063 4.98265 -34.2644 7.87261 0.355505 7.81867 2.03339 30.7823 TIMING: 2112600 CPU: 6368.87, 0.00299371/step Wall: 6368.87, 0.00299371/step, 2.40112 hours remaining, 208.121094 MB of memory in use. ENERGY: 2112600 739.2995 2032.9064 1934.1947 113.1447 -206418.3042 17885.3175 0.0000 0.0000 34426.1288 -149287.3125 300.6519 -183713.4413 -149189.9349 299.1581 11.8097 48.7634 556906.3667 5.2211 5.2651 PRESSURE: 2112800 120.299 31.7571 69.9442 31.7575 39.0521 -114.537 69.944 -114.536 -14.0166 GPRESSURE: 2112800 143.764 66.0567 63.1564 21.0437 91.9908 -59.0729 95.3306 -115.708 14.4102 PRESSAVG: 2112800 -52.2251 -2.53131 1.25837 -2.5313 53.7816 -40.53 1.25839 -40.5299 31.8095 GPRESSAVG: 2112800 -53.0906 -0.299817 3.59872 -4.86671 54.1157 -43.3459 0.0177365 -38.8166 32.6015 TIMING: 2112800 CPU: 6369.47, 0.00300548/step Wall: 6369.47, 0.00300548/step, 2.41039 hours remaining, 208.121094 MB of memory in use. ENERGY: 2112800 720.4404 2119.5470 1920.7334 103.4628 -206233.8221 18007.9681 0.0000 0.0000 34197.6941 -149163.9761 298.6570 -183361.6702 -149065.8740 299.6615 48.4448 83.3884 556974.8253 11.1220 11.2089 PRESSURE: 2113000 -4.29435 -69.78 -135.565 -69.7786 -118.538 213.724 -135.565 213.725 -51.6557 GPRESSURE: 2113000 83.4367 -60.0358 -217.603 -74.1937 -120.71 145.154 -32.5825 126.788 -34.1104 PRESSAVG: 2113000 9.0606 50.2227 -15.5085 50.2227 41.4863 38.6989 -15.5086 38.6989 -52.4992 GPRESSAVG: 2113000 7.97393 48.9127 -16.2651 53.1692 42.51 40.8003 -14.7679 36.2015 -52.7442 TIMING: 2113000 CPU: 6370.07, 0.00302567/step Wall: 6370.07, 0.00302567/step, 2.42642 hours remaining, 208.121094 MB of memory in use. ENERGY: 2113000 754.7540 2022.9380 1934.5065 112.9669 -205934.6378 17733.0346 0.0000 0.0000 34293.5167 -149082.9211 299.4938 -183376.4379 -148985.5207 299.8842 -58.1625 -23.7945 558785.6206 -0.6508 -0.7534 PRESSURE: 2113200 -128.905 -23.5809 -0.975989 -23.5812 48.6257 127.829 -0.976116 127.83 -161.69 GPRESSURE: 2113200 -113.729 32.3138 47.5532 -55.0238 83.9703 57.451 -38.4535 124.05 -115.585 PRESSAVG: 2113200 21.5357 29.2362 34.0746 29.2364 -9.80257 34.4001 34.0746 34.4001 -11.8154 GPRESSAVG: 2113200 22.5683 28.9696 33.5708 28.4602 -10.1 33.5138 33.9186 37.1083 -12.2338 TIMING: 2113200 CPU: 6370.67, 0.00299802/step Wall: 6370.67, 0.00299802/step, 2.40408 hours remaining, 208.121094 MB of memory in use. ENERGY: 2113200 723.5234 2073.8126 1924.9465 122.3308 -206017.5721 17605.1876 0.0000 0.0000 34465.7808 -149101.9905 300.9982 -183567.7713 -149004.1659 299.8179 -80.6563 -48.4480 558170.7068 -0.0274 0.0782 PRESSURE: 2113400 332.861 73.7666 -37.8585 73.766 241.109 28.0005 -37.8584 28.0021 92.5984 GPRESSURE: 2113400 413.217 59.562 3.44676 82.4032 223.965 -53.1139 -38.4681 53.4486 131.425 PRESSAVG: 2113400 -62.637 -1.14318 11.2805 -1.14324 3.18754 3.06448 11.2806 3.06447 14.2708 GPRESSAVG: 2113400 -62.5451 -0.346505 11.213 -2.45862 2.26391 2.91455 13.486 2.72603 14.9241 TIMING: 2113400 CPU: 6371.27, 0.0029965/step Wall: 6371.27, 0.0029965/step, 2.40269 hours remaining, 208.121094 MB of memory in use. ENERGY: 2113400 749.0091 2124.3984 1938.2887 121.8440 -206585.4641 18264.2810 0.0000 0.0000 34397.2038 -148990.4392 300.3993 -183387.6430 -148890.1484 300.0672 222.1894 256.2022 558107.2588 -15.0596 -15.1190 PRESSURE: 2113600 -45.2664 127.61 54.4072 127.608 266.968 -59.4256 54.4078 -59.4263 200.703 GPRESSURE: 2113600 15.2746 89.234 20.8687 98.8515 311.206 29.1137 127.731 -193.068 201.024 PRESSAVG: 2113600 11.2185 3.28982 31.4814 3.28976 -0.769935 0.298718 31.4813 0.298672 11.3397 GPRESSAVG: 2113600 10.9875 2.77212 30.1616 4.22754 -0.152729 0.0825968 29.626 -1.67699 10.4943 TIMING: 2113600 CPU: 6371.88, 0.00301929/step Wall: 6371.88, 0.00301929/step, 2.4208 hours remaining, 208.121094 MB of memory in use. ENERGY: 2113600 774.8906 2084.5181 1961.8503 113.8523 -206157.4490 17950.3656 0.0000 0.0000 34328.9627 -148943.0095 299.8034 -183271.9722 -148852.0545 300.0827 140.8016 175.8351 557869.0933 7.2628 7.1097 PRESSURE: 2113800 90.2766 130.532 204.439 130.533 110.206 -81.0979 204.44 -81.0976 -140.796 GPRESSURE: 2113800 66.394 24.4585 146.475 156.077 152.693 -99.0741 251.186 -97.544 -63.2672 PRESSAVG: 2113800 37.8875 -25.5223 62.3687 -25.5223 29.5534 -30.6903 62.3687 -30.6902 -73.5901 GPRESSAVG: 2113800 38.2495 -27.0812 64.6437 -24.895 28.0793 -30.9587 62.0612 -28.6313 -72.3598 TIMING: 2113800 CPU: 6372.48, 0.00303573/step Wall: 6372.48, 0.00303573/step, 2.43381 hours remaining, 208.121094 MB of memory in use. ENERGY: 2113800 749.9066 2103.6286 1929.8191 117.5977 -206275.6966 17950.6433 0.0000 0.0000 34373.2520 -149050.8493 300.1902 -183424.1013 -148952.8521 299.7430 19.8955 51.9398 558313.1209 -2.0497 -2.0103 PRESSURE: 2114000 -281.648 39.5716 -30.5625 39.5729 -137.38 -167.779 -30.5629 -167.78 -219.332 GPRESSURE: 2114000 -192.91 34.9694 -87.8131 6.84198 -147.175 -188.495 107.731 -213.401 -212.478 PRESSAVG: 2114000 9.61738 -18.3345 -5.0412 -18.3345 55.544 -79.9026 -5.04111 -79.9025 -16.376 GPRESSAVG: 2114000 9.38433 -18.1185 -7.88047 -18.9483 56.0936 -79.14 -4.12423 -80.4197 -16.4585 TIMING: 2114000 CPU: 6373.09, 0.00304664/step Wall: 6373.09, 0.00304664/step, 2.44239 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: 2114000 744.0322 2137.5562 1947.3609 114.5794 -205462.4024 17147.8293 0.0000 0.0000 34346.5362 -149024.5081 299.9568 -183371.0443 -148930.0909 300.3871 -212.7868 -184.1876 556795.9770 16.2618 16.3398 PRESSURE: 2114200 -99.4373 202.846 60.785 202.848 -127.203 -85.8759 60.7846 -85.8755 -76.7335 GPRESSURE: 2114200 -67.7767 152.106 162.445 208.814 -147.316 -94.6432 79.7178 -105.186 9.08789 PRESSAVG: 2114200 -65.5124 15.4154 43.1979 15.4154 -25.6151 9.17369 43.1979 9.17357 115.735 GPRESSAVG: 2114200 -65.3188 14.7664 44.0706 16.9264 -24.4726 10.843 44.4119 8.28307 115.146 TIMING: 2114200 CPU: 6373.7, 0.00303888/step Wall: 6373.7, 0.00303888/step, 2.436 hours remaining, 208.121094 MB of memory in use. ENERGY: 2114200 740.9990 2113.8900 1942.5612 107.7691 -205931.4514 17624.0278 0.0000 0.0000 34386.5701 -149015.6343 300.3065 -183402.2044 -148918.9412 300.5060 -101.1248 -68.6684 556398.3986 8.2025 8.4516 PRESSURE: 2114400 22.2481 37.8043 4.27049 37.8033 7.52513 295.845 4.2706 295.846 -12.2949 GPRESSURE: 2114400 64.6046 40.3219 -74.1929 57.2149 31.0236 249.507 59.1755 370.708 11.8198 PRESSAVG: 2114400 -47.2802 -10.641 12.7544 -10.641 67.9003 22.5344 12.7543 22.5344 4.81623 GPRESSAVG: 2114400 -45.6091 -7.29069 14.3579 -11.6896 66.489 22.3425 12.063 21.3803 4.3749 TIMING: 2114400 CPU: 6374.3, 0.00300275/step Wall: 6374.3, 0.00300275/step, 2.40687 hours remaining, 208.121094 MB of memory in use. ENERGY: 2114400 736.1279 2085.4922 1942.5572 108.9080 -205901.5238 17706.0159 0.0000 0.0000 34193.8279 -149128.5947 298.6232 -183322.4226 -149028.2188 299.2131 5.8261 35.8160 557159.6438 8.4788 8.4183 PRESSURE: 2114600 -154.936 -112.538 -117.06 -112.538 -265.136 -9.69047 -117.061 -9.69082 -30.3686 GPRESSURE: 2114600 -120.711 -190.298 -224.26 -116.735 -176.729 -31.3667 -48.6228 25.5869 -65.0669 PRESSAVG: 2114600 13.0547 -48.8756 -34.1963 -48.8757 -25.6658 -16.5165 -34.1964 -16.5165 15.5756 GPRESSAVG: 2114600 11.7533 -52.7569 -36.8841 -49.8565 -25.5629 -15.4126 -34.177 -17.0191 17.2409 TIMING: 2114600 CPU: 6374.9, 0.00300611/step Wall: 6374.9, 0.00300611/step, 2.4094 hours remaining, 208.121094 MB of memory in use. ENERGY: 2114600 770.0141 2081.8819 1932.3290 119.6195 -205861.9130 17375.4684 0.0000 0.0000 34324.1961 -149258.4039 299.7617 -183582.6000 -149170.0646 299.2857 -150.1467 -120.8354 557117.8056 0.9882 1.1437 PRESSURE: 2114800 -32.777 -126.104 66.2231 -126.104 -123.818 -82.0466 66.2234 -82.0464 -52.4204 GPRESSURE: 2114800 25.0386 -73.6091 -11.338 -154.325 -108.84 -46.8148 66.7993 -196.351 -18.953 PRESSAVG: 2114800 -6.37671 -5.71133 -82.7386 -5.71131 8.05739 -8.18699 -82.7385 -8.18693 -1.27133 GPRESSAVG: 2114800 -6.29047 -4.25368 -78.8301 -2.56834 9.70097 -10.7104 -85.3745 -7.05971 -2.16674 TIMING: 2114800 CPU: 6375.51, 0.00304399/step Wall: 6375.51, 0.00304399/step, 2.43959 hours remaining, 208.121094 MB of memory in use. ENERGY: 2114800 760.4947 2093.5334 1921.0820 122.5978 -205911.0797 17817.5456 0.0000 0.0000 33926.6831 -149269.1433 296.2902 -183195.8264 -149173.4531 298.8956 -69.6719 -34.2514 558280.1854 0.1365 0.4146 PRESSURE: 2115000 -35.0053 117.496 115.107 117.496 -229.769 -37.3685 115.109 -37.3676 21.9676 GPRESSURE: 2115000 21.6178 70.7784 66.2129 113.66 -161.481 -20.3307 60.7702 -110.216 -1.45234 PRESSAVG: 2115000 20.2471 7.98644 -21.4564 7.98642 -24.2108 -11.7389 -21.4564 -11.7389 -14.0174 GPRESSAVG: 2115000 20.459 7.77729 -24.455 5.14195 -24.4791 -13.9695 -19.9301 -9.98682 -13.9572 TIMING: 2115000 CPU: 6376.12, 0.00302925/step Wall: 6376.12, 0.00302925/step, 2.42761 hours remaining, 208.121094 MB of memory in use. ENERGY: 2115000 751.9888 2051.7034 1948.5473 123.6034 -206160.1880 17656.4525 0.0000 0.0000 34259.7112 -149368.1815 299.1986 -183627.8926 -149281.1165 299.0601 -80.9357 -47.1053 558537.7989 -5.9937 -5.9924 PRESSURE: 2115200 -163.333 -160.103 79.4543 -160.102 22.1866 -180.384 79.4561 -180.385 -71.4741 GPRESSURE: 2115200 -115.078 -56.6126 151.393 -121.917 25.1291 -189.856 24.1323 -132.536 -30.8701 PRESSAVG: 2115200 -25.7927 -31.8943 -28.2941 -31.8942 -6.5881 -34.2069 -28.2942 -34.2069 36.4989 GPRESSAVG: 2115200 -26.1587 -31.1229 -26.2179 -29.8829 -6.23997 -33.4935 -28.8821 -34.3182 36.5085 TIMING: 2115200 CPU: 6376.72, 0.00300133/step Wall: 6376.72, 0.00300133/step, 2.40506 hours remaining, 208.121094 MB of memory in use. ENERGY: 2115200 695.3494 2115.3441 1944.5398 99.3500 -206009.8984 17754.2924 0.0000 0.0000 34211.0681 -149189.9546 298.7738 -183401.0228 -149089.1440 298.7907 -70.8735 -40.2731 558422.7192 1.3727 1.3699 PRESSURE: 2115400 -13.189 -73.6621 -40.255 -73.6619 -67.993 1.08529 -40.2558 1.08738 101.03 GPRESSURE: 2115400 -2.58406 -48.7334 -17.226 -38.0473 -26.5143 10.6082 -18.2119 18.8626 141.732 PRESSAVG: 2115400 -3.42348 -26.9175 -14.1772 -26.9176 -12.7151 -28.2187 -14.1773 -28.2188 57.4001 GPRESSAVG: 2115400 -3.57832 -26.0686 -13.9691 -28.2517 -13.6009 -27.8746 -15.7527 -27.7762 58.4413 TIMING: 2115400 CPU: 6377.32, 0.00301227/step Wall: 6377.32, 0.00301227/step, 2.41367 hours remaining, 208.121094 MB of memory in use. ENERGY: 2115400 744.1102 2091.0421 1926.8331 112.7711 -205887.8324 17707.6727 0.0000 0.0000 34205.3190 -149100.0843 298.7236 -183305.4032 -149000.1353 298.8695 6.6159 37.5445 557587.4447 13.7538 13.7540 PRESSURE: 2115600 131.412 -47.9746 -21.0565 -47.9757 -271.426 -6.21208 -21.056 -6.21107 154.619 GPRESSURE: 2115600 162.487 -51.635 -29.0986 17.9008 -154.139 66.3786 -42.8067 -108.824 101.824 PRESSAVG: 2115600 28.2906 -5.36301 -3.17372 -5.36301 -73.2789 -38.1726 -3.17372 -38.1727 67.7426 GPRESSAVG: 2115600 28.9389 -6.58172 -4.11807 -4.16171 -73.5373 -35.9855 -1.41536 -40.8125 67.0833 TIMING: 2115600 CPU: 6377.92, 0.00301502/step Wall: 6377.92, 0.00301502/step, 2.4157 hours remaining, 208.121094 MB of memory in use. ENERGY: 2115600 740.4862 2064.3649 1921.8705 105.6906 -206045.8144 17718.0078 0.0000 0.0000 34256.1830 -149239.2116 299.1678 -183495.3945 -149142.0885 299.1021 4.8685 36.7240 556794.8914 7.5848 7.4950 PRESSURE: 2115800 250.172 -14.0553 130.12 -14.0544 319.193 -85.4316 130.119 -85.4316 293.514 GPRESSURE: 2115800 287.223 -55.5306 76.5188 41.4066 316.66 -95.9574 207.566 -113.838 334.984 PRESSAVG: 2115800 31.0412 -1.7934 -3.27174 -1.79344 -42.6164 -29.2193 -3.27184 -29.2194 -10.8009 GPRESSAVG: 2115800 30.8194 -1.9289 -4.23769 -2.2922 -43.268 -31.1227 -2.8349 -27.4568 -10.9384 TIMING: 2115800 CPU: 6378.53, 0.0030306/step Wall: 6378.53, 0.0030306/step, 2.42802 hours remaining, 208.121094 MB of memory in use. ENERGY: 2115800 730.0309 2127.5271 1918.4820 107.5294 -206711.4035 18301.6731 0.0000 0.0000 34351.6045 -149174.5564 300.0011 -183526.1609 -149081.0665 299.2974 287.6263 312.9559 557445.9320 -7.4587 -7.7957 PRESSURE: 2116000 7.44294 -4.1934 -65.0459 -4.19213 58.3119 -18.7658 -65.0451 -18.765 167.572 GPRESSURE: 2116000 62.1431 -9.06757 -114.709 -69.3061 67.0907 -65.1876 -32.4967 46.6446 197.501 PRESSAVG: 2116000 -44.184 -58.6965 -9.8899 -58.6965 94.6498 19.0556 -9.88992 19.0557 -42.8522 GPRESSAVG: 2116000 -43.9018 -56.9986 -8.23857 -59.7068 94.8249 18.4954 -10.2004 17.5825 -43.0229 TIMING: 2116000 CPU: 6379.14, 0.00304558/step Wall: 6379.14, 0.00304558/step, 2.43985 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: 2116000 736.5837 2036.9027 1924.3001 120.6947 -206667.6222 18126.3020 0.0000 0.0000 34427.3736 -149295.4655 300.6628 -183722.8391 -149192.6656 299.3045 77.7755 108.9115 557165.6067 2.5378 2.6334 PRESSURE: 2116200 137.132 -11.824 -54.2507 -11.8245 122.706 -3.53454 -54.2509 -3.53578 -330.182 GPRESSURE: 2116200 164.848 23.8676 -62.7936 -29.0155 119.327 44.4042 -87.109 -31.6608 -258.267 PRESSAVG: 2116200 -47.3399 -23.7108 28.9274 -23.7107 35.5595 8.84903 28.9273 8.84898 -0.782128 GPRESSAVG: 2116200 -47.2294 -25.0431 27.6562 -23.0684 34.8849 8.88051 29.4906 12.2023 -0.477301 TIMING: 2116200 CPU: 6379.74, 0.00303827/step Wall: 6379.74, 0.00303827/step, 2.43383 hours remaining, 208.121094 MB of memory in use. ENERGY: 2116200 725.2195 2064.7636 1924.1952 118.3961 -206218.6844 17800.3767 0.0000 0.0000 34310.5451 -149275.1881 299.6425 -183585.7332 -149183.5709 299.1279 -23.4481 8.6362 556224.8332 -4.1875 -4.2739 LDB: ============= START OF LOAD BALANCING ============== 6383.26 LDB: ============== END OF LOAD BALANCING =============== 6383.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6383.26 LDB: ============= START OF LOAD BALANCING ============== 6383.57 LDB: Largest compute 4801 load 0.030589 is 25.9% of average load 0.118087 LDB: Average compute 0.001734 is 1.5% of average load 0.118087 LDB: TIME 6383.57 LOAD: AVG 0.118087 MAX 0.207639 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.711 MB LDB: TIME 6383.57 LOAD: AVG 0.118087 MAX 0.207639 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.711 MB LDB: TIME 6383.57 LOAD: AVG 0.118087 MAX 0.207639 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.711 MB LDB: ============== END OF LOAD BALANCING =============== 6383.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6383.57 PRESSURE: 2116400 -31.3075 -43.6681 -70.162 -43.668 157.501 155.057 -70.1627 155.059 58.7905 GPRESSURE: 2116400 4.79275 18.1884 -74.9956 -166.427 188.047 163.342 -90.065 161.67 84.4824 PRESSAVG: 2116400 7.01268 -43.5966 60.2923 -43.5966 8.64109 -18.0031 60.2924 -18.0032 17.4445 GPRESSAVG: 2116400 6.48832 -44.2232 58.5162 -41.9316 10.7265 -17.0614 59.9371 -19.2865 16.3593 TIMING: 2116400 CPU: 6380.36, 0.0030663/step Wall: 6380.36, 0.0030663/step, 2.45611 hours remaining, 209.796875 MB of memory in use. ENERGY: 2116400 735.0152 2093.9957 1940.7413 118.7927 -206345.3215 17826.8129 0.0000 0.0000 34402.4305 -149227.5333 300.4450 -183629.9638 -149126.1254 299.3658 61.6613 92.4407 556902.4527 11.0328 11.1914 PRESSURE: 2116600 -206.293 -74.2375 9.98818 -74.2354 119.98 -77.0163 9.98899 -77.0162 -96.3633 GPRESSURE: 2116600 -129.373 -133.216 12.3457 -95.2134 101.813 6.53019 11.855 -162.881 -62.311 PRESSAVG: 2116600 40.8263 -34.4677 30.3835 -34.4677 -26.5431 -58.7793 30.3835 -58.7792 -2.16868 GPRESSAVG: 2116600 40.6336 -33.5351 31.5922 -37.899 -26.8185 -56.853 31.5377 -60.3967 -1.63923 TIMING: 2116600 CPU: 6380.96, 0.00302455/step Wall: 6380.96, 0.00302455/step, 2.4225 hours remaining, 209.796875 MB of memory in use. ENERGY: 2116600 791.5233 2120.5466 1956.9897 119.6940 -206589.0114 18010.6416 0.0000 0.0000 34340.2096 -149249.4065 299.9016 -183589.6162 -149145.1568 299.0955 -60.8922 -29.9572 557965.0700 4.0382 4.0586 PRESSURE: 2116800 -208.703 10.7698 -23.7458 10.7701 78.4396 49.7023 -23.7474 49.703 -89.12 GPRESSURE: 2116800 -165.301 -36.4784 -44.2968 61.0218 128.778 -14.4839 6.46659 103.421 -82.8313 PRESSAVG: 2116800 -7.95323 -48.7754 20.018 -48.7753 -55.4623 -6.38073 20.018 -6.38069 19.19 GPRESSAVG: 2116800 -7.61815 -49.7159 19.0101 -47.6545 -55.8196 -7.35543 20.03 -5.48935 18.8751 TIMING: 2116800 CPU: 6381.57, 0.00302062/step Wall: 6381.57, 0.00302061/step, 2.41918 hours remaining, 209.796875 MB of memory in use. ENERGY: 2116800 746.3774 2084.4526 1946.8673 118.1687 -206095.6100 17718.2663 0.0000 0.0000 34251.7994 -149229.6784 299.1295 -183481.4778 -149134.7291 299.0330 -73.1277 -39.7849 557710.9581 -14.7418 -14.8542 PRESSURE: 2117000 19.4861 -63.4123 82.4354 -63.4127 -248.164 -33.3461 82.4353 -33.3453 -177.763 GPRESSURE: 2117000 75.8816 -72.9876 64.5785 -87.0648 -235.157 -94.3468 118.35 78.1103 -153.112 PRESSAVG: 2117000 0.263337 -47.205 0.106142 -47.2051 -29.3041 24.7067 0.10612 24.7066 -26.313 GPRESSAVG: 2117000 1.16072 -46.9315 1.75134 -47.6683 -29.9764 22.1437 0.872802 26.5383 -26.724 TIMING: 2117000 CPU: 6382.17, 0.00300829/step Wall: 6382.17, 0.00300829/step, 2.40914 hours remaining, 209.796875 MB of memory in use. ENERGY: 2117000 758.2725 2049.3690 1942.4493 115.1057 -205929.2891 17614.8015 0.0000 0.0000 34097.6158 -149351.6753 297.7830 -183449.2912 -149256.5461 298.8343 -135.4801 -104.1291 557641.7813 -18.4513 -18.5132 PRESSURE: 2117200 -120.305 -120.283 82.8173 -120.282 -112.072 49.7772 82.8197 49.778 -281.594 GPRESSURE: 2117200 -113.893 -131.646 123.89 -105.027 -69.4382 39.8116 12.187 164.089 -231.465 PRESSAVG: 2117200 26.2734 -21.3738 1.6469 -21.3738 72.1855 56.4262 1.64696 56.4261 -88.8297 GPRESSAVG: 2117200 25.5703 -21.2056 -0.208769 -21.0015 71.6549 58.5435 -0.198137 55.1573 -87.7801 TIMING: 2117200 CPU: 6382.78, 0.0030536/step Wall: 6382.78, 0.0030536/step, 2.44526 hours remaining, 209.796875 MB of memory in use. ENERGY: 2117200 803.5626 2094.1816 1971.4435 122.3080 -206379.7752 17839.9465 0.0000 0.0000 34335.5890 -149212.7440 299.8612 -183548.3330 -149114.2464 298.8414 -171.3236 -138.2652 558183.8410 3.2097 3.1484 PRESSURE: 2117400 135.316 127.456 31.5432 127.455 -156.959 34.5475 31.5443 34.5491 246.228 GPRESSURE: 2117400 129.281 143.935 76.4702 16.8329 -55.9761 85.9128 -27.8315 2.91942 235.366 PRESSAVG: 2117400 12.5968 -22.2035 60.2688 -22.2035 -33.8782 -9.98506 60.2688 -9.985 57.9588 GPRESSAVG: 2117400 12.8954 -23.7063 62.4232 -19.7602 -32.7495 -9.93431 60.1283 -9.62518 57.112 TIMING: 2117400 CPU: 6383.38, 0.00301839/step Wall: 6383.38, 0.00301839/step, 2.41689 hours remaining, 209.796875 MB of memory in use. ENERGY: 2117400 745.2562 2072.4309 1919.2411 104.8103 -206125.4830 17797.3988 0.0000 0.0000 34203.9992 -149282.3464 298.7120 -183486.3456 -149180.2034 299.5137 74.8619 102.8904 557076.2877 12.2258 12.4193 PRESSURE: 2117600 -278.635 40.7111 -166.024 40.7108 170.988 -147.892 -166.024 -147.89 89.1995 GPRESSURE: 2117600 -229.605 57.3539 -106.548 115.702 155.082 -153.339 -160.992 -128.402 159.24 PRESSAVG: 2117600 -13.997 -21.3409 29.8377 -21.3409 19.9213 42.918 29.8377 42.9181 15.3605 GPRESSAVG: 2117600 -14.5427 -21.1193 28.7549 -21.9747 20.2145 41.9946 29.7023 42.4959 15.6917 TIMING: 2117600 CPU: 6383.99, 0.00301506/step Wall: 6383.99, 0.00301506/step, 2.41406 hours remaining, 209.796875 MB of memory in use. ENERGY: 2117600 777.2029 2069.7546 1910.6368 115.7385 -206444.0018 18003.9416 0.0000 0.0000 34291.2388 -149275.4886 299.4739 -183566.7274 -149176.3904 298.8374 -6.1493 28.2390 557053.3341 7.0949 7.1211 PRESSURE: 2117800 40.3565 -31.4743 -51.6819 -31.4729 286.179 -71.0541 -51.6823 -71.0534 -40.8089 GPRESSURE: 2117800 101.62 28.3028 38.3419 -40.359 302.369 -86.0482 -28.0437 -43.0015 -35.1215 PRESSAVG: 2117800 -93.3305 21.2867 -25.6324 21.2867 2.67328 -36.8209 -25.6324 -36.8208 85.2339 GPRESSAVG: 2117800 -91.9227 24.8733 -25.9392 18.7941 1.66794 -37.1489 -24.6994 -37.9391 84.8788 TIMING: 2117800 CPU: 6384.59, 0.00301022/step Wall: 6384.59, 0.00301022/step, 2.41002 hours remaining, 209.796875 MB of memory in use. ENERGY: 2117800 736.9831 2066.5788 1921.3839 117.3772 -206220.5667 17956.4263 0.0000 0.0000 34362.4864 -149059.3310 300.0961 -183421.8175 -148964.8977 299.8473 95.2421 122.9559 556329.9720 -1.8078 -1.7920 PRESSURE: 2118000 105.394 92.2828 48.0934 92.2821 -256.569 14.6857 48.0942 14.6862 -44.2699 GPRESSURE: 2118000 122.015 2.61554 12.1335 168.632 -197.052 -12.6399 105.558 5.74494 -35.1795 PRESSAVG: 2118000 32.7817 -9.26441 8.77761 -9.2644 -34.0852 -1.43305 8.77754 -1.43302 31.2405 GPRESSAVG: 2118000 32.1892 -11.0685 9.16716 -8.222 -33.6054 1.04738 7.1802 -1.61901 31.3641 TIMING: 2118000 CPU: 6385.19, 0.00298701/step Wall: 6385.19, 0.00298701/step, 2.39127 hours remaining, 210.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2118000 749.1320 2115.5619 1922.4913 122.4223 -205931.2357 17547.2474 0.0000 0.0000 34452.1964 -149022.1845 300.8796 -183474.3809 -148921.7337 300.4886 -65.1483 -36.7387 556749.3497 9.9790 9.9826 PRESSURE: 2118200 3.92117 44.8403 -24.5153 44.8407 189.299 48.9772 -24.5148 48.9779 -202.564 GPRESSURE: 2118200 2.28931 99.8097 -60.8467 -9.09087 214.113 25.7184 -40.1683 61.4649 -125.817 PRESSAVG: 2118200 -13.565 36.5528 34.0355 36.5529 44.2921 -35.2263 34.0356 -35.2263 29.0864 GPRESSAVG: 2118200 -12.8517 35.0707 34.4793 37.7263 43.3008 -35.9631 34.7215 -32.9617 29.2016 TIMING: 2118200 CPU: 6385.78, 0.00299397/step Wall: 6385.78, 0.00299397/step, 2.39667 hours remaining, 210.000000 MB of memory in use. ENERGY: 2118200 770.3639 2081.0179 1912.9280 110.3520 -206186.0492 17883.2138 0.0000 0.0000 34502.3483 -148925.8251 301.3176 -183428.1734 -148824.7284 300.5612 -3.1147 30.1950 556416.0238 19.9378 19.8836 PRESSURE: 2118400 -101.484 21.9731 14.3619 21.9734 -140.657 -15.1293 14.3616 -15.1287 -38.9524 GPRESSURE: 2118400 -152.126 36.4369 -103.085 10.3105 -80.1367 -62.3643 63.2676 28.3433 45.055 PRESSAVG: 2118400 -51.6655 53.9671 -24.1497 53.9671 23.0712 -23.2674 -24.1497 -23.2673 0.379335 GPRESSAVG: 2118400 -52.8512 56.074 -25.2045 53.2995 23.8631 -22.9091 -23.0433 -25.2172 1.43774 TIMING: 2118400 CPU: 6386.38, 0.00298419/step Wall: 6386.38, 0.00298419/step, 2.38868 hours remaining, 210.000000 MB of memory in use. ENERGY: 2118400 747.0578 2088.1562 1916.9970 117.2533 -205832.8133 17575.9806 0.0000 0.0000 34350.6368 -149036.7317 299.9927 -183387.3685 -148929.6079 300.4471 -93.6977 -62.4026 556698.0546 -9.4050 -9.1834 PRESSURE: 2118600 -40.871 49.4802 184.513 49.4806 -43.8002 -91.647 184.512 -91.6459 1.14173 GPRESSURE: 2118600 -24.106 84.7247 251.859 47.1493 -2.38051 30.593 73.5546 -87.4725 22.7527 PRESSAVG: 2118600 -53.4956 7.46535 31.3083 7.46535 32.6142 0.928776 31.3082 0.928679 19.4543 GPRESSAVG: 2118600 -52.0344 6.33439 32.967 7.00146 32.55 0.148954 30.5258 2.39737 18.3165 TIMING: 2118600 CPU: 6386.98, 0.00300828/step Wall: 6386.98, 0.00300828/step, 2.4078 hours remaining, 210.000000 MB of memory in use. ENERGY: 2118600 727.1968 2081.2532 1917.9627 107.1807 -205833.4283 17683.0038 0.0000 0.0000 34179.6333 -149137.1977 298.4992 -183316.8310 -149043.9780 299.9143 -27.8432 -1.2446 557676.4809 -0.4757 -0.3893 PRESSURE: 2118800 10.055 7.41277 -93.8649 7.41214 -41.7126 61.7501 -93.8646 61.7506 235.741 GPRESSURE: 2118800 51.0826 4.52121 -102.049 -9.24184 -39.1464 21.1087 -57.9958 94.1787 287.996 PRESSAVG: 2118800 -59.9464 -2.0765 -21.9964 -2.07652 -62.3106 -15.8335 -21.9964 -15.8335 114.536 GPRESSAVG: 2118800 -60.2934 -1.42969 -24.3279 -2.84296 -62.6119 -19.4973 -21.4943 -15.2965 115.151 TIMING: 2118800 CPU: 6387.58, 0.00300276/step Wall: 6387.58, 0.00300276/step, 2.40321 hours remaining, 210.000000 MB of memory in use. ENERGY: 2118800 723.5361 2079.9231 1918.9827 117.0765 -206401.4867 17956.4607 0.0000 0.0000 34322.2044 -149283.3031 299.7443 -183605.5075 -149185.5545 298.9654 68.0277 99.9774 556462.0097 -2.5735 -2.5847 PRESSURE: 2119000 -210.667 117.193 -135.547 117.193 99.0044 -13.6128 -135.547 -13.613 62.7735 GPRESSURE: 2119000 -191.325 127.06 -134.139 49.8508 142.476 14.8197 -205.501 -72.954 88.2712 PRESSAVG: 2119000 -18.6411 -40.3092 -50.0902 -40.3093 14.2926 -27.7499 -50.0903 -27.7498 68.8395 GPRESSAVG: 2119000 -18.2609 -42.2604 -48.511 -37.8935 14.1867 -24.8841 -52.4904 -27.0955 68.9779 TIMING: 2119000 CPU: 6388.18, 0.00297734/step Wall: 6388.18, 0.00297734/step, 2.3827 hours remaining, 210.000000 MB of memory in use. ENERGY: 2119000 730.5907 2061.3857 1936.2888 120.2626 -206243.0706 17890.6487 0.0000 0.0000 34121.1894 -149382.7048 297.9888 -183503.8942 -149284.5729 298.9404 -16.2965 13.1409 558830.3690 21.4970 21.6346 PRESSURE: 2119200 -11.4469 57.069 121.928 57.0672 -318.348 -60.5155 121.926 -60.5148 -38.9417 GPRESSURE: 2119200 36.8666 28.6143 63.2478 17.7132 -271.346 -122.303 191.673 -72.7886 -36.1189 PRESSAVG: 2119200 -11.0523 6.15727 19.6147 6.15734 -49.5481 -0.442026 19.6148 -0.442111 56.327 GPRESSAVG: 2119200 -12.1064 7.47923 17.2412 3.11723 -49.0701 1.01767 23.2046 -2.0297 56.7415 TIMING: 2119200 CPU: 6388.78, 0.0029993/step Wall: 6388.78, 0.0029993/step, 2.40011 hours remaining, 210.042969 MB of memory in use. ENERGY: 2119200 744.5826 2055.0282 1944.6423 103.9646 -206281.4179 17764.8454 0.0000 0.0000 34358.0308 -149310.3240 300.0572 -183668.3548 -149211.2219 299.6375 -122.9120 -90.1993 559188.5894 -1.4245 -1.4783 PRESSURE: 2119400 -55.6385 -90.7491 -65.6078 -90.748 21.936 152.769 -65.6083 152.77 143.576 GPRESSURE: 2119400 -31.6374 -154.34 -165.013 -36.5521 43.9963 188.962 11.3793 161.117 195.19 PRESSAVG: 2119400 -4.52417 -41.1818 20.6633 -41.1818 5.2962 -4.98028 20.6633 -4.98021 -3.48998 GPRESSAVG: 2119400 -4.12368 -41.3355 22.3108 -38.879 4.72218 -6.63489 20.9275 -4.11165 -4.05717 TIMING: 2119400 CPU: 6389.38, 0.0030047/step Wall: 6389.38, 0.0030047/step, 2.40426 hours remaining, 210.042969 MB of memory in use. ENERGY: 2119400 768.4178 2152.4936 1888.5429 119.2240 -206293.2862 17898.0201 0.0000 0.0000 34205.0921 -149261.4957 298.7216 -183466.5878 -149162.8307 299.2276 36.6245 69.1831 557997.6270 -0.9060 -1.1529 PRESSURE: 2119600 63.8522 -0.322571 56.0753 -0.323741 167.86 138.053 56.075 138.054 224.457 GPRESSURE: 2119600 84.8875 -23.1976 30.7783 -0.218222 219.454 207.027 47.9311 114.213 247.945 PRESSAVG: 2119600 30.0356 -82.6265 -29.4752 -82.6265 -14.3063 10.173 -29.4752 10.173 7.07925 GPRESSAVG: 2119600 29.8236 -83.3679 -29.7584 -82.3107 -13.3593 10.5092 -31.3894 9.35098 5.81984 TIMING: 2119600 CPU: 6389.98, 0.00302773/step Wall: 6389.98, 0.00302773/step, 2.42252 hours remaining, 210.042969 MB of memory in use. ENERGY: 2119600 738.3546 2102.6732 1915.5463 112.0118 -206550.8748 18151.4532 0.0000 0.0000 34476.9959 -149053.8397 301.0962 -183530.8356 -148952.4677 299.9219 152.0567 184.0954 558292.7441 7.6028 7.4280 PRESSURE: 2119800 -122.693 53.3668 67.4342 53.3672 -124.724 -65.7765 67.4353 -65.7754 177.425 GPRESSURE: 2119800 -122.477 46.2357 97.7818 51.275 -58.1061 -131.462 51.0794 -78.1253 208.255 PRESSAVG: 2119800 -20.2145 -46.9043 10.011 -46.9043 16.1633 13.2298 10.011 13.2298 -26.1597 GPRESSAVG: 2119800 -20.4857 -47.4955 9.00877 -48.5142 15.5448 13.3842 10.6154 11.8689 -25.1661 TIMING: 2119800 CPU: 6390.59, 0.00301346/step Wall: 6390.59, 0.00301346/step, 2.41094 hours remaining, 210.042969 MB of memory in use. ENERGY: 2119800 691.9082 2112.2332 1922.1918 129.4030 -205763.6675 17652.8518 0.0000 0.0000 34512.1412 -148742.9384 301.4031 -183255.0796 -148648.0763 299.5686 -23.3307 9.2241 558211.5571 -10.0703 -10.0357 PRESSURE: 2120000 47.9511 -98.2835 103.653 -98.2831 -62.6879 84.4781 103.653 84.4786 -12.286 GPRESSURE: 2120000 98.5659 -16.8976 52.9095 -99.8937 -13.3009 -9.7904 105.499 171.268 -21.1176 PRESSAVG: 2120000 -5.87992 -13.4481 -0.703343 -13.448 -14.9046 -34.9213 -0.703395 -34.9213 58.8329 GPRESSAVG: 2120000 -6.17652 -12.1097 0.482567 -12.6598 -14.1003 -35.7757 -0.586071 -33.5565 58.643 TIMING: 2120000 CPU: 6391.18, 0.00297976/step Wall: 6391.18, 0.00297976/step, 2.38381 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: 2120000 757.3836 2054.1425 1946.0397 117.2531 -205641.5738 17664.0397 0.0000 0.0000 34339.6590 -148763.0563 299.8968 -183102.7153 -148664.1829 300.6084 -9.0076 21.3825 557287.5032 12.6828 12.7887 PRESSURE: 2120200 -232.749 -113.332 -13.5609 -113.331 -310.17 167.165 -13.5608 167.167 -121.862 GPRESSURE: 2120200 -196.83 -106.667 -7.56824 -115.066 -288.101 167.335 12.9477 148.138 -92.0779 PRESSAVG: 2120200 5.22874 -51.6209 -6.97856 -51.6208 -18.744 -10.2979 -6.97856 -10.2979 28.1834 GPRESSAVG: 2120200 6.33589 -52.3325 -7.98465 -50.865 -19.5425 -8.65316 -8.90344 -10.7011 27.5945 TIMING: 2120200 CPU: 6391.78, 0.00295855/step Wall: 6391.78, 0.00295855/step, 2.36668 hours remaining, 210.042969 MB of memory in use. ENERGY: 2120200 745.1875 2152.9014 1921.7421 110.0922 -205472.3165 17384.6845 0.0000 0.0000 34528.4192 -148629.2896 301.5453 -183157.7088 -148534.3412 300.9868 -221.5932 -192.3365 558124.8640 4.8894 4.7959 LDB: ============= START OF LOAD BALANCING ============== 6395.29 LDB: ============== END OF LOAD BALANCING =============== 6395.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6395.29 LDB: ============= START OF LOAD BALANCING ============== 6395.59 LDB: Largest compute 4801 load 0.029587 is 25.1% of average load 0.118017 LDB: Average compute 0.001730 is 1.5% of average load 0.118017 LDB: TIME 6395.59 LOAD: AVG 0.118017 MAX 0.203753 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.254 MB LDB: TIME 6395.59 LOAD: AVG 0.118017 MAX 0.203753 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.324 MB LDB: TIME 6395.59 LOAD: AVG 0.118017 MAX 0.203753 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.324 MB LDB: ============== END OF LOAD BALANCING =============== 6395.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6395.6 PRESSURE: 2120400 -19.3902 67.3008 98.8162 67.3009 -327.618 -25.5967 98.8166 -25.5981 -258.482 GPRESSURE: 2120400 53.1699 50.533 141.611 109.831 -313.617 -0.334608 105.436 -42.3994 -246.269 PRESSAVG: 2120400 2.90645 -2.16833 20.4813 -2.16825 12.1421 12.5278 20.4814 12.5279 8.60029 GPRESSAVG: 2120400 1.62882 -1.65691 20.5543 -2.92989 13.3828 11.4535 21.8042 11.7155 8.73541 TIMING: 2120400 CPU: 6392.38, 0.00303705/step Wall: 6392.38, 0.00303705/step, 2.4293 hours remaining, 208.996094 MB of memory in use. ENERGY: 2120400 721.7769 2136.4717 1924.3153 105.8765 -205623.1432 17555.4389 0.0000 0.0000 34372.0013 -148807.2625 300.1792 -183179.2638 -148714.3216 301.1116 -201.8302 -168.9052 559468.8101 7.8830 7.9157 PRESSURE: 2120600 -384.769 -61.7983 -6.34859 -61.7978 -122.853 74.205 -6.34921 74.2046 233.055 GPRESSURE: 2120600 -351.976 -119.758 -76.6063 -54.8174 -71.0719 107.712 26.8296 111.209 249.298 PRESSAVG: 2120600 -33.0254 -15.7502 -33.7125 -15.7502 17.1904 2.25969 -33.7125 2.2597 22.0924 GPRESSAVG: 2120600 -30.8691 -15.162 -32.1091 -16.4294 14.1321 0.106444 -36.1269 4.84989 23.496 TIMING: 2120600 CPU: 6392.98, 0.00298771/step Wall: 6392.98, 0.00298771/step, 2.38967 hours remaining, 209.457031 MB of memory in use. ENERGY: 2120600 740.3730 2094.4397 1924.0696 112.8435 -205922.3464 17629.3789 0.0000 0.0000 34515.9554 -148905.2863 301.4364 -183421.2417 -148798.3055 301.0852 -91.5224 -57.9167 559863.1284 2.0858 2.2530 PRESSURE: 2120800 152.212 102.59 -0.731893 102.591 319.521 -91.2925 -0.731679 -91.294 294.033 GPRESSURE: 2120800 192.544 57.7682 13.0654 119.132 353.124 -72.5777 76.7237 -44.0847 320.117 PRESSAVG: 2120800 -2.51416 -20.4621 -5.76844 -20.4623 7.18994 -51.1896 -5.76844 -51.1895 -19.9695 GPRESSAVG: 2120800 -3.63961 -21.7346 -8.22446 -18.5466 8.49027 -48.8107 -4.38511 -52.5044 -20.3445 TIMING: 2120800 CPU: 6393.58, 0.00299634/step Wall: 6393.58, 0.00299634/step, 2.39641 hours remaining, 209.457031 MB of memory in use. ENERGY: 2120800 779.1543 2092.3726 1944.2675 100.8073 -206466.6282 18298.1015 0.0000 0.0000 34297.1808 -148954.7443 299.5258 -183251.9251 -148858.2870 300.6688 255.2554 288.5948 557750.6384 -5.0979 -5.1646 PRESSURE: 2121000 132.155 -14.926 -3.24506 -14.9267 -52.7334 -115.116 -3.24476 -115.117 34.3589 GPRESSURE: 2121000 185.37 -139.472 11.4838 42.0941 9.50014 -172.95 -24.0322 -43.8636 26.7248 PRESSAVG: 2121000 -16.272 48.8619 14.3263 48.8619 59.555 -3.85988 14.3264 -3.85989 -20.6955 GPRESSAVG: 2121000 -16.1125 49.7995 16.727 48.735 61.1659 -6.87012 14.483 -2.01881 -22.0939 TIMING: 2121000 CPU: 6394.17, 0.00297362/step Wall: 6394.17, 0.00297362/step, 2.37807 hours remaining, 209.457031 MB of memory in use. ENERGY: 2121000 728.5648 2062.2864 1925.1001 122.6847 -206275.4032 18026.1959 0.0000 0.0000 34183.2847 -149227.2868 298.5311 -183410.5715 -149136.0624 299.7770 37.9267 73.8648 558269.7729 7.5292 7.6532 PRESSURE: 2121200 -162.5 10.7465 14.8267 10.7461 149.516 51.5925 14.8265 51.5908 105.262 GPRESSURE: 2121200 -96.6347 23.5962 25.8844 0.113726 123.357 12.0747 33.8729 32.8811 160.333 PRESSAVG: 2121200 -12.8097 -10.1269 -34.4218 -10.1269 -19.4893 38.1476 -34.4218 38.1477 51.0983 GPRESSAVG: 2121200 -12.2963 -9.03886 -34.8856 -11.7143 -22.2104 40.6584 -34.8885 36.8275 53.4772 TIMING: 2121200 CPU: 6394.77, 0.00296778/step Wall: 6394.77, 0.00296778/step, 2.37323 hours remaining, 209.457031 MB of memory in use. ENERGY: 2121200 740.3009 2110.5245 1936.0261 114.1150 -206567.4285 17980.9882 0.0000 0.0000 34474.8710 -149210.6029 301.0776 -183685.4739 -149118.2028 299.4556 30.7592 62.3519 558277.7189 6.2664 6.3235 PRESSURE: 2121400 -311.044 -122.937 325.428 -122.937 282.675 -109.343 325.427 -109.343 34.2523 GPRESSURE: 2121400 -238.715 -93.1332 322.275 -127.207 349.153 -155.559 218.202 -32.5873 -1.52156 PRESSAVG: 2121400 -50.3901 -8.04475 26.2808 -8.04477 41.4979 3.45471 26.2807 3.45474 27.0937 GPRESSAVG: 2121400 -50.8201 -9.46205 25.866 -7.38443 43.5661 1.95832 26.8825 4.16091 25.5228 TIMING: 2121400 CPU: 6395.37, 0.00299771/step Wall: 6395.37, 0.00299771/step, 2.397 hours remaining, 209.457031 MB of memory in use. ENERGY: 2121400 764.6907 2118.1772 1935.9640 110.6344 -206167.5456 17759.6371 0.0000 0.0000 34302.5583 -149175.8840 299.5728 -183478.4423 -149087.2650 299.6515 1.9613 36.3056 557294.7131 6.0672 6.0896 PRESSURE: 2121600 109.298 -119.826 46.1998 -119.825 31.9758 -72.6897 46.1996 -72.6885 71.0847 GPRESSURE: 2121600 137.325 -83.7204 85.6219 -179.058 37.2902 -88.9321 -20.7868 -70.737 130.942 PRESSAVG: 2121600 -31.3988 -56.6697 57.5315 -56.6697 33.2508 -11.2492 57.5315 -11.2492 -16.96 GPRESSAVG: 2121600 -31.6748 -56.8304 56.0714 -56.1881 33.2256 -10.8559 57.728 -11.6468 -16.5513 TIMING: 2121600 CPU: 6395.97, 0.00300808/step Wall: 6395.97, 0.00300808/step, 2.40512 hours remaining, 209.718750 MB of memory in use. ENERGY: 2121600 719.6176 2058.9957 1935.6184 109.0343 -206228.1004 18049.1417 0.0000 0.0000 34170.8773 -149184.8153 298.4228 -183355.6926 -149083.9119 298.7818 70.7863 101.8524 558441.1484 -5.0360 -5.0002 PRESSURE: 2121800 -88.7677 -40.9721 28.0276 -40.972 -135.554 -48.5521 28.0282 -48.5536 -239.619 GPRESSURE: 2121800 -55.2981 -76.3987 64.1206 -64.5681 -132.212 -73.2446 -1.21167 13.8877 -179.336 PRESSAVG: 2121800 22.5761 -37.292 24.1159 -37.292 1.98081 27.9158 24.1159 27.9159 -66.8891 GPRESSAVG: 2121800 22.2743 -36.8493 24.9539 -37.4782 2.99042 29.1438 24.5776 26.5152 -67.1862 TIMING: 2121800 CPU: 6396.57, 0.00300719/step Wall: 6396.57, 0.00300719/step, 2.40425 hours remaining, 209.718750 MB of memory in use. ENERGY: 2121800 746.9112 2072.1932 1942.6880 110.7829 -206099.5658 17646.1890 0.0000 0.0000 34335.3235 -149245.4780 299.8589 -183580.8015 -149156.1956 299.2241 -154.6470 -122.2819 557679.0283 -14.1107 -13.9738 PRESSURE: 2122000 -39.8467 159.872 -46.8948 159.872 -167.441 -24.9158 -46.8947 -24.9166 -109.582 GPRESSURE: 2122000 29.5073 143.392 -67.9169 80.3803 -154.846 -74.0483 -44.6018 -5.4013 -103.307 PRESSAVG: 2122000 77.1794 -4.62521 -16.0251 -4.62524 -24.9191 -51.1029 -16.0252 -51.1031 -42.1486 GPRESSAVG: 2122000 77.9685 -3.12355 -14.9159 -6.19992 -26.6709 -52.7593 -17.8844 -48.9432 -41.8783 TIMING: 2122000 CPU: 6397.16, 0.0029722/step Wall: 6397.16, 0.0029722/step, 2.3761 hours remaining, 209.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2122000 776.9962 2100.4183 1925.1225 92.8985 -206271.1561 17759.0508 0.0000 0.0000 34353.4101 -149263.2596 300.0169 -183616.6697 -149173.8275 299.7630 -105.6229 -76.2152 557727.6529 3.3706 3.1398 PRESSURE: 2122200 -107.398 28.772 62.7633 28.7717 -158.888 0.101654 62.7626 0.101026 60.6968 GPRESSURE: 2122200 -128.027 17.1225 108.101 39.4761 -103.436 29.8869 31.293 -6.19756 108.899 PRESSAVG: 2122200 63.3417 -7.67648 -30.2321 -7.67642 -14.5737 14.1274 -30.2321 14.1275 -37.1519 GPRESSAVG: 2122200 63.1928 -8.17685 -28.8651 -6.0026 -14.5549 15.6239 -31.0013 12.5149 -36.9072 TIMING: 2122200 CPU: 6397.76, 0.00299297/step Wall: 6397.76, 0.00299297/step, 2.39255 hours remaining, 209.718750 MB of memory in use. ENERGY: 2122200 757.8509 2031.8732 1964.7828 120.1646 -205835.6413 17533.6642 0.0000 0.0000 34199.0188 -149228.2869 298.6685 -183427.3057 -149134.9566 299.3369 -68.5299 -40.8548 556321.8992 3.8720 3.9103 PRESSURE: 2122400 -322.257 14.075 61.6005 14.0754 -157.442 141.907 61.6014 141.908 169.788 GPRESSURE: 2122400 -319.254 -36.3611 28.256 66.488 -99.1037 84.3399 10.815 194.512 210.751 PRESSAVG: 2122400 77.1158 -53.3705 20.9857 -53.3705 16.3837 11.7369 20.9857 11.737 -32.1374 GPRESSAVG: 2122400 75.5684 -53.4798 18.1611 -53.9417 17.4181 11.4146 22.7207 11.9711 -31.743 TIMING: 2122400 CPU: 6398.37, 0.00301331/step Wall: 6398.37, 0.00301331/step, 2.40864 hours remaining, 209.718750 MB of memory in use. ENERGY: 2122400 806.4758 2053.9279 1928.1363 105.0660 -206274.1730 17813.5904 0.0000 0.0000 34348.1393 -149218.8372 299.9708 -183566.9766 -149128.0213 299.4724 -103.3039 -69.2020 557509.3267 20.4540 20.4145 PRESSURE: 2122600 192.435 111.072 45.0442 111.072 339.186 -5.11372 45.0441 -5.11486 -133.609 GPRESSURE: 2122600 221.334 157.299 55.1708 104.676 352.322 -47.8734 -41.5854 -125.603 -80.3804 PRESSAVG: 2122600 -35.2144 -14.3323 -22.5215 -14.3322 32.3627 11.7825 -22.5215 11.7825 -7.28967 GPRESSAVG: 2122600 -34.7097 -14.2969 -21.4945 -13.4221 31.0911 12.4485 -23.0673 13.0029 -6.7088 TIMING: 2122600 CPU: 6398.97, 0.00301151/step Wall: 6398.97, 0.00301151/step, 2.40704 hours remaining, 209.730469 MB of memory in use. ENERGY: 2122600 769.1159 2107.9843 1939.3078 111.3039 -206479.4861 18121.1427 0.0000 0.0000 34212.6692 -149217.9624 298.7877 -183430.6315 -149117.8056 299.3342 132.6707 164.4253 556176.5732 -3.3805 -3.4425 PRESSURE: 2122800 -237.138 62.2158 -8.6849 62.2168 11.5417 -99.7274 -8.68472 -99.7287 -47.9437 GPRESSURE: 2122800 -175.156 23.362 10.0032 91.4275 69.0947 -94.9849 -68.9454 -79.7794 -54.896 PRESSAVG: 2122800 -13.686 -44.2306 -47.13 -44.2305 43.7358 -18.2087 -47.13 -18.2087 11.4974 GPRESSAVG: 2122800 -13.1015 -44.9983 -47.9148 -41.9363 44.3629 -17.7553 -46.044 -17.5442 11.23 TIMING: 2122800 CPU: 6399.57, 0.00299138/step Wall: 6399.57, 0.00299138/step, 2.39078 hours remaining, 209.730469 MB of memory in use. ENERGY: 2122800 706.0077 2108.4677 1938.7341 108.8246 -206193.5267 17652.4265 0.0000 0.0000 34452.4923 -149226.5738 300.8822 -183679.0661 -149138.1863 299.9905 -91.1801 -53.6525 557657.6237 13.8491 14.1638 PRESSURE: 2123000 122.888 -73.4665 -78.9314 -73.4669 81.0455 194.322 -78.933 194.324 92.7606 GPRESSURE: 2123000 120.308 -75.2278 5.88013 -53.1256 123.328 240.656 -107.703 157.324 141.387 PRESSAVG: 2123000 -38.2461 -21.7728 13.3971 -21.7728 -33.6177 29.1087 13.3971 29.1087 67.1629 GPRESSAVG: 2123000 -38.2082 -20.3623 13.3927 -24.268 -33.5997 27.13 13.6598 29.726 66.5682 TIMING: 2123000 CPU: 6400.16, 0.00298515/step Wall: 6400.16, 0.00298515/step, 2.38563 hours remaining, 209.730469 MB of memory in use. ENERGY: 2123000 776.8916 2073.0285 1937.6798 110.4842 -206371.8936 17988.0182 0.0000 0.0000 34313.5629 -149172.2283 299.6689 -183485.7912 -149076.2538 299.5076 98.8981 128.3411 557445.2432 -1.5670 -1.7466 PRESSURE: 2123200 -233.116 -2.89196 -165.73 -2.89263 -274.04 -16.1631 -165.729 -16.163 -382.866 GPRESSURE: 2123200 -120.333 85.6931 -115.711 44.9124 -237.798 42.7923 -229.338 -50.5112 -441.402 PRESSAVG: 2123200 58.1949 -51.9471 -25.7062 -51.9471 -34.4963 -39.7561 -25.7063 -39.756 -2.37333 GPRESSAVG: 2123200 58.232 -50.2104 -24.7832 -53.8876 -33.3592 -39.5916 -26.5171 -40.5796 -3.50696 TIMING: 2123200 CPU: 6400.76, 0.00297388/step Wall: 6400.76, 0.00297388/step, 2.37646 hours remaining, 209.730469 MB of memory in use. ENERGY: 2123200 738.4294 2088.7609 1932.4503 112.7603 -205984.5040 17479.8244 0.0000 0.0000 34324.9812 -149307.2975 299.7686 -183632.2787 -149210.6813 299.6356 -296.6741 -266.5111 558576.8055 7.1084 7.1219 PRESSURE: 2123400 -282.705 90.1067 21.4135 90.1059 157.993 26.7274 21.4134 26.7275 -105.568 GPRESSURE: 2123400 -245.653 91.4376 52.841 20.5748 203.671 -45.3807 -8.32949 88.4379 -81.5508 PRESSAVG: 2123400 19.4198 20.1079 7.92105 20.1079 22.6489 22.8262 7.92102 22.8261 -31.6463 GPRESSAVG: 2123400 19.5957 17.938 7.66608 23.1517 22.1358 23.2973 5.7377 22.1086 -30.9015 TIMING: 2123400 CPU: 6401.36, 0.00299992/step Wall: 6401.36, 0.00299992/step, 2.3971 hours remaining, 209.730469 MB of memory in use. ENERGY: 2123400 723.5567 2037.6070 1954.5788 108.7101 -205894.7404 17750.3812 0.0000 0.0000 34154.6636 -149165.2430 298.2812 -183319.9066 -149078.4714 298.6459 -76.7599 -41.1776 557761.8098 3.4741 3.6100 PRESSURE: 2123600 -154.207 -114.783 25.93 -114.782 -126.304 -158.94 25.9301 -158.939 -135.52 GPRESSURE: 2123600 -155.131 -145.392 -12.9723 -119.741 -53.7368 -210.359 49.4388 -118.71 -116.25 PRESSAVG: 2123600 36.4001 -40.7434 -54.3329 -40.7434 -36.2903 -9.24869 -54.333 -9.24881 24.9829 GPRESSAVG: 2123600 37.019 -40.32 -53.7306 -43.9648 -37.5251 -6.89408 -52.2707 -8.61313 25.5976 TIMING: 2123600 CPU: 6401.96, 0.00298675/step Wall: 6401.96, 0.00298675/step, 2.38641 hours remaining, 209.730469 MB of memory in use. ENERGY: 2123600 743.1915 2126.1036 1910.5636 118.7072 -206230.7058 17882.2528 0.0000 0.0000 34123.1488 -149326.7383 298.0059 -183449.8871 -149237.6162 299.4251 -138.6768 -108.3727 558525.2830 8.3642 8.3638 PRESSURE: 2123800 -50.4535 104.719 -65.5948 104.72 -1.84985 -63.492 -65.5948 -63.4924 9.61572 GPRESSURE: 2123800 -29.2103 91.7276 -50.5206 54.7213 46.8553 -49.7559 -47.0928 -76.5717 43.3655 PRESSAVG: 2123800 21.2975 -42.9595 -21.3746 -42.9594 -81.5425 -32.7808 -21.3746 -32.7808 42.7652 GPRESSAVG: 2123800 19.8086 -43.8092 -21.8087 -38.7066 -80.8739 -36.2034 -21.0967 -34.5647 43.3019 TIMING: 2123800 CPU: 6402.55, 0.00297377/step Wall: 6402.55, 0.00297377/step, 2.37587 hours remaining, 209.730469 MB of memory in use. ENERGY: 2123800 754.2822 2061.7020 1937.7992 114.7213 -205837.8874 17708.2083 0.0000 0.0000 34122.2601 -149138.9143 297.9982 -183261.1745 -149042.6838 299.0657 -14.2292 20.3368 557009.6317 -5.8266 -5.9211 PRESSURE: 2124000 -56.1603 -51.4849 -109.527 -51.484 10.4772 60.6734 -109.527 60.6739 -394.858 GPRESSURE: 2124000 14.1238 -34.43 -163.34 17.2004 16.4195 56.1421 -36.2629 -12.8313 -375.41 PRESSAVG: 2124000 -44.8476 -3.68291 -21.9244 -3.68284 36.4052 -5.24936 -21.9244 -5.24927 25.214 GPRESSAVG: 2124000 -42.8653 -2.73575 -21.9897 -6.34185 36.2117 -5.71404 -23.1139 -3.16731 23.4678 TIMING: 2124000 CPU: 6403.15, 0.00297813/step Wall: 6403.15, 0.00297813/step, 2.37919 hours remaining, 209.730469 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: 2124000 764.7163 2047.6832 1917.2216 114.7045 -205693.4213 17432.5194 0.0000 0.0000 34344.1592 -149072.4171 299.9361 -183416.5764 -148972.2395 300.0061 -146.8469 -114.9554 557850.5119 5.5905 5.6047 PRESSURE: 2124200 81.91 -135.691 8.52657 -135.69 6.63761 37.1208 8.52774 37.1192 0.178111 GPRESSURE: 2124200 102.072 -119.903 103.325 -104.713 40.9559 76.7497 -75.5197 91.0306 48.5441 PRESSAVG: 2124200 -4.94301 -40.6885 -7.03408 -40.6885 -18.5969 -28.2083 -7.03414 -28.2083 34.7447 GPRESSAVG: 2124200 -6.05034 -41.766 -6.84743 -40.1181 -18.1366 -25.1909 -5.76634 -29.1687 34.8604 TIMING: 2124200 CPU: 6403.74, 0.00296798/step Wall: 6403.74, 0.00296798/step, 2.37092 hours remaining, 209.730469 MB of memory in use. ENERGY: 2124200 739.8871 2100.1408 1935.4047 112.1576 -206216.1594 17992.0284 0.0000 0.0000 34144.4277 -149192.1131 298.1918 -183336.5408 -149096.4841 299.8859 29.5752 63.8572 557302.4003 3.7349 3.5578 LDB: ============= START OF LOAD BALANCING ============== 6407.25 LDB: ============== END OF LOAD BALANCING =============== 6407.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6407.26 LDB: ============= START OF LOAD BALANCING ============== 6407.55 LDB: Largest compute 4801 load 0.029981 is 25.4% of average load 0.118109 LDB: Average compute 0.001739 is 1.5% of average load 0.118109 LDB: TIME 6407.56 LOAD: AVG 0.118109 MAX 0.205145 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.512 MB LDB: TIME 6407.56 LOAD: AVG 0.118109 MAX 0.205145 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.715 MB LDB: TIME 6407.56 LOAD: AVG 0.118109 MAX 0.205145 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6407.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6407.56 PRESSURE: 2124400 11.5436 40.6839 -78.8419 40.6843 47.7645 118.832 -78.8421 118.832 -2.77805 GPRESSURE: 2124400 16.0342 12.133 -119.339 41.2843 89.8975 166.199 -40.4092 75.1934 38.0394 PRESSAVG: 2124400 58.6791 -18.7262 39.0714 -18.7262 -65.561 75.5631 39.0714 75.5632 4.62956 GPRESSAVG: 2124400 58.2085 -18.1689 39.298 -18.3321 -65.2342 72.8177 34.5305 74.9303 5.09856 TIMING: 2124400 CPU: 6404.35, 0.00302722/step Wall: 6404.35, 0.00302722/step, 2.41807 hours remaining, 210.539062 MB of memory in use. ENERGY: 2124400 694.8472 2064.6841 1959.4829 126.1789 -206063.9305 17820.6086 0.0000 0.0000 34176.9093 -149221.2196 298.4754 -183398.1289 -149127.2532 298.8784 18.8434 47.9904 556464.7389 -0.7508 -0.6424 PRESSURE: 2124600 433.856 -56.8847 129.641 -56.8845 67.4632 -25.9547 129.641 -25.9526 157.064 GPRESSURE: 2124600 465.621 -25.8064 35.0182 -61.4993 110.863 -50.1516 180.326 -54.0829 183.171 PRESSAVG: 2124600 19.0134 -3.41421 7.827 -3.41424 -0.117459 48.45 7.82702 48.45 -3.92427 GPRESSAVG: 2124600 19.4937 -3.66305 9.36224 -4.61782 -0.741547 51.421 10.5104 48.1417 -4.03028 TIMING: 2124600 CPU: 6404.95, 0.00301177/step Wall: 6404.95, 0.00301177/step, 2.40557 hours remaining, 210.742188 MB of memory in use. ENERGY: 2124600 737.4427 2093.4662 1924.8571 117.3739 -206163.7031 18054.9623 0.0000 0.0000 34143.7769 -149091.8240 298.1861 -183235.6009 -149000.6577 298.7802 219.4611 253.2182 557588.3660 4.9905 4.9073 PRESSURE: 2124800 58.8786 127.496 6.2079 127.495 61.9494 -95.4479 6.20794 -95.4468 -104.096 GPRESSURE: 2124800 111.041 97.3127 52.9869 44.7783 53.5338 -81.097 28.3732 -79.7366 -49.4223 PRESSAVG: 2124800 1.29038 -11.0835 -17.113 -11.0835 -41.7359 48.713 -17.1129 48.7129 7.49823 GPRESSAVG: 2124800 2.29945 -11.3148 -18.6833 -9.5136 -42.3405 49.1828 -16.2445 47.67 7.56767 TIMING: 2124800 CPU: 6405.55, 0.00301921/step Wall: 6405.55, 0.00301921/step, 2.41135 hours remaining, 210.742188 MB of memory in use. ENERGY: 2124800 745.7744 2046.7173 1908.2305 108.6456 -206014.4416 17743.2394 0.0000 0.0000 34148.4980 -149313.3365 298.2273 -183461.8345 -149216.2001 298.8805 5.5772 38.3842 556513.9940 -10.9824 -10.8245 PRESSURE: 2125000 152.25 -18.4464 252.029 -18.4463 -67.1232 87.8344 252.03 87.8342 207.167 GPRESSURE: 2125000 138.168 2.51623 233.018 6.14977 -40.8543 139.065 290.483 49.2937 287.118 PRESSAVG: 2125000 39.17 17.3289 -14.2164 17.3289 2.23766 56.6804 -14.2164 56.6803 25.1271 GPRESSAVG: 2125000 38.9453 17.9322 -17.3162 15.7407 2.39804 53.726 -14.7831 56.5955 25.1452 TIMING: 2125000 CPU: 6406.15, 0.00299037/step Wall: 6406.15, 0.00299037/step, 2.38814 hours remaining, 210.742188 MB of memory in use. ENERGY: 2125000 705.1313 2077.5803 1938.5501 117.8133 -206435.0216 17862.2511 0.0000 0.0000 34276.1933 -149457.5023 299.3425 -183733.6956 -149358.8294 299.3035 97.4311 128.1442 556914.2606 22.1783 22.1629 PRESSURE: 2125200 176.2 -19.0325 54.8023 -19.0325 -15.2437 73.727 54.8027 73.7285 92.1635 GPRESSURE: 2125200 161.212 -96.1898 35.329 -64.93 16.2345 6.00433 30.0386 115.723 178.743 PRESSAVG: 2125200 63.5398 11.7616 49.504 11.7615 -80.2577 36.9575 49.504 36.9575 21.5154 GPRESSAVG: 2125200 62.2623 11.7423 52.5144 12.1204 -79.4737 36.1907 49.2055 36.7757 21.9586 TIMING: 2125200 CPU: 6406.75, 0.00298544/step Wall: 6406.75, 0.00298544/step, 2.38404 hours remaining, 210.742188 MB of memory in use. ENERGY: 2125200 741.2597 2038.9695 1927.2849 122.7450 -206743.3908 18000.4921 0.0000 0.0000 34368.7855 -149543.8542 300.1512 -183912.6396 -149445.3158 298.6159 84.3732 118.7297 557365.9244 1.5992 1.5824 PRESSURE: 2125400 84.5365 -15.4274 -29.6532 -15.4268 54.6773 -232.575 -29.6535 -232.576 6.0708 GPRESSURE: 2125400 87.487 -10.2366 78.6393 50.4806 118.69 -171.623 -24.226 -287.411 34.586 PRESSAVG: 2125400 -35.155 47.0575 -12.2969 47.0576 51.9679 10.839 -12.2969 10.839 16.3865 GPRESSAVG: 2125400 -33.6211 45.3833 -13.3885 47.9982 50.9556 13.1452 -11.3985 11.5674 15.7871 TIMING: 2125400 CPU: 6407.34, 0.00298974/step Wall: 6407.34, 0.00298974/step, 2.38731 hours remaining, 210.742188 MB of memory in use. ENERGY: 2125400 729.8493 2064.7230 1921.7169 118.0738 -206325.0151 17868.3338 0.0000 0.0000 34188.4292 -149433.8890 298.5761 -183622.3183 -149335.5880 298.9026 48.4282 80.2543 555520.2408 11.0665 11.0405 PRESSURE: 2125600 -154.273 -84.3681 -97.89 -84.3672 -251.239 108.654 -97.8896 108.655 -337.716 GPRESSURE: 2125600 -136.206 -111.38 -142.37 -79.8525 -235.057 80.632 -70.7027 135.641 -290.609 PRESSAVG: 2125600 28.3869 27.4135 -4.87625 27.4134 -18.9362 11.3011 -4.87629 11.3012 -16.0588 GPRESSAVG: 2125600 26.5613 27.8109 -5.83503 26.8253 -19.1322 10.0057 -4.39306 13.5297 -14.7776 TIMING: 2125600 CPU: 6407.94, 0.00298831/step Wall: 6407.94, 0.00298831/step, 2.386 hours remaining, 210.742188 MB of memory in use. ENERGY: 2125600 751.6966 2103.2496 1933.4525 118.7048 -205965.6394 17540.4446 0.0000 0.0000 34023.1152 -149494.9762 297.1323 -183518.0914 -149400.5763 298.5752 -247.7427 -220.6238 556195.9813 -2.2027 -2.4495 PRESSURE: 2125800 -54.7049 59.0963 -17.4731 59.0965 -1.37122 42.3069 -17.4741 42.3064 -236.607 GPRESSURE: 2125800 -12.1928 -48.923 76.8674 135.207 26.3677 35.3801 -94.0263 80.444 -204.215 PRESSAVG: 2125800 54.1579 -8.97044 0.612852 -8.97048 35.9281 1.10742 0.612841 1.10735 -70.4856 GPRESSAVG: 2125800 54.9595 -7.82013 3.88981 -7.73743 35.3385 1.85065 -2.92702 -2.04929 -70.3609 TIMING: 2125800 CPU: 6408.55, 0.00301571/step Wall: 6408.55, 0.00301571/step, 2.40771 hours remaining, 210.742188 MB of memory in use. ENERGY: 2125800 763.8486 2105.1817 1938.2036 115.3065 -206344.8587 17857.0686 0.0000 0.0000 34095.1900 -149470.0598 297.7618 -183565.2498 -149366.1749 298.7927 -97.5611 -63.3468 556897.3268 6.5334 6.6457 PRESSURE: 2126000 -302.632 -126.633 -110.695 -126.633 -105.627 -53.493 -110.695 -53.4933 -375.012 GPRESSURE: 2126000 -272.879 -107.685 -110.233 -161.426 -128.177 -65.3122 -55.1073 -45.3828 -270.919 PRESSAVG: 2126000 107.673 -9.77253 -7.22355 -9.77255 -23.0941 -36.1975 -7.22349 -36.1976 -108.395 GPRESSAVG: 2126000 108.906 -8.18816 -10.4335 -12.0479 -23.2866 -35.4054 -3.71468 -35.6414 -109.323 TIMING: 2126000 CPU: 6409.15, 0.00302302/step Wall: 6409.15, 0.00302302/step, 2.41338 hours remaining, 210.742188 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: 2126000 699.1191 2059.7658 1941.2513 115.8569 -205841.9748 17302.5982 0.0000 0.0000 34179.7786 -149543.6049 298.5005 -183723.3834 -149441.8890 298.5613 -261.0903 -223.9915 558855.8588 -7.9387 -7.9013 PRESSURE: 2126200 -146.15 -38.6295 51.2291 -38.6291 -319.6 -53.013 51.2291 -53.0137 -89.7504 GPRESSURE: 2126200 -113.679 -54.8807 66.8508 -80.264 -226.432 -43.6834 -3.53455 -95.7874 -139.113 PRESSAVG: 2126200 -44.3592 -60.7174 -38.6823 -60.7173 7.168 -18.9716 -38.6823 -18.9716 12.6163 GPRESSAVG: 2126200 -45.917 -63.3847 -38.5547 -58.4399 7.78625 -19.1853 -37.793 -16.4658 13.3614 TIMING: 2126200 CPU: 6409.76, 0.00303002/step Wall: 6409.76, 0.00303002/step, 2.4188 hours remaining, 210.742188 MB of memory in use. ENERGY: 2126200 779.8939 2073.5476 1932.3984 104.9790 -206023.6805 17564.6163 0.0000 0.0000 34069.0902 -149499.1551 297.5338 -183568.2453 -149398.2617 298.6088 -185.1671 -159.7414 557111.0935 -8.1916 -8.2564 PRESSURE: 2126400 150.418 -150.757 -87.2849 -150.758 121.178 15.1574 -87.2866 15.1555 109.512 GPRESSURE: 2126400 158.351 -132.079 -85.8797 -211.214 178.465 38.9904 -102.643 -23.5909 144.581 PRESSAVG: 2126400 36.5433 -34.6342 2.06529 -34.6342 15.5406 9.91671 2.06532 9.91667 -8.20953 GPRESSAVG: 2126400 36.4565 -32.7465 1.17106 -36.5666 15.9985 9.22338 2.51474 8.8608 -9.27403 TIMING: 2126400 CPU: 6410.36, 0.00300597/step Wall: 6410.36, 0.00300597/step, 2.39943 hours remaining, 210.742188 MB of memory in use. ENERGY: 2126400 709.4580 2103.4271 1923.6665 124.4346 -206797.4575 18133.2612 0.0000 0.0000 34409.4641 -149393.7460 300.5064 -183803.2101 -149300.1031 298.5265 127.0357 160.4653 558259.6371 14.6248 14.3937 PRESSURE: 2126600 165.674 20.5255 -129.043 20.5261 29.4567 88.888 -129.044 88.8882 99.7558 GPRESSURE: 2126600 192.544 47.5633 -114.613 -29.5356 36.8016 65.7978 -241.339 106.504 157.659 PRESSAVG: 2126600 28.7389 4.97663 -37.2741 4.97659 -5.4082 55.1553 -37.274 55.1552 -35.2754 GPRESSAVG: 2126600 29.6298 3.69986 -35.6586 6.35214 -6.94391 56.297 -39.0283 54.6243 -34.5003 TIMING: 2126600 CPU: 6410.96, 0.00301224/step Wall: 6410.96, 0.00301224/step, 2.40427 hours remaining, 210.742188 MB of memory in use. ENERGY: 2126600 751.7641 2113.1026 1923.2610 106.2664 -206534.3845 17961.5007 0.0000 0.0000 34369.1347 -149309.3551 300.1542 -183678.4897 -149216.0866 298.7102 98.2954 129.0017 557963.3525 -3.9816 -3.9381 PRESSURE: 2126800 -118.361 -35.9811 -30.0572 -35.9808 -84.5167 137.296 -30.0576 137.295 235.242 GPRESSURE: 2126800 -32.6108 34.1373 -21.4797 -5.00795 -33.6821 77.6967 -87.5475 148.248 195.47 PRESSAVG: 2126800 26.6305 20.7981 -56.5771 20.7982 -43.1542 87.1455 -56.5771 87.1456 39.0119 GPRESSAVG: 2126800 26.7878 21.2947 -58.7098 21.0216 -42.6556 87.0363 -55.6377 87.6389 38.376 TIMING: 2126800 CPU: 6411.56, 0.00302143/step Wall: 6411.56, 0.00302143/step, 2.41143 hours remaining, 210.742188 MB of memory in use. ENERGY: 2126800 751.8377 2058.4934 1931.9042 110.8829 -206452.0722 17931.8601 0.0000 0.0000 34109.8164 -149557.2775 297.8895 -183667.0939 -149465.8689 298.8682 10.7881 43.0591 558015.4175 7.4960 7.5027 PRESSURE: 2127000 -164.13 -12.5174 -36.9304 -12.5187 -337.791 143.341 -36.9296 143.341 58.4662 GPRESSURE: 2127000 -127.678 -4.64451 -99.9385 -53.9069 -352.428 89.0672 -66.2305 117.996 109.125 PRESSAVG: 2127000 -38.2086 -3.84846 -21.0899 -3.8485 52.7578 77.8939 -21.0899 77.8939 -20.9118 GPRESSAVG: 2127000 -38.3869 -2.71432 -18.8333 -5.77627 53.1765 76.2629 -23.0916 78.3622 -21.6021 TIMING: 2127000 CPU: 6412.16, 0.00299573/step Wall: 6412.16, 0.00299574/step, 2.39076 hours remaining, 210.742188 MB of memory in use. ENERGY: 2127000 770.2379 2081.8647 1941.9582 118.0546 -206397.2132 17743.9758 0.0000 0.0000 34279.6596 -149461.4624 299.3728 -183741.1220 -149365.1004 299.0856 -147.8182 -123.6602 557971.0688 -2.1209 -2.2708 PRESSURE: 2127200 42.1985 37.5056 -6.14228 37.5058 155.432 -106.639 -6.14199 -106.64 212.084 GPRESSURE: 2127200 71.5088 9.44628 70.6109 15.2816 157.614 -83.0734 20.2378 -148.556 269.955 PRESSAVG: 2127200 -32.7674 -11.6348 -35.5073 -11.6348 -11.6752 -34.2336 -35.5072 -34.2335 1.36254 GPRESSAVG: 2127200 -32.7322 -12.4085 -37.4256 -8.61142 -11.3088 -32.5929 -31.9482 -34.8424 1.43471 TIMING: 2127200 CPU: 6412.76, 0.00299519/step Wall: 6412.76, 0.00299519/step, 2.39016 hours remaining, 210.742188 MB of memory in use. ENERGY: 2127200 761.5473 2057.7552 1919.1480 111.5376 -206288.6092 17941.0482 0.0000 0.0000 34191.3208 -149306.2522 298.6013 -183497.5730 -149214.3981 298.9743 136.5716 166.3592 558334.6464 -14.3600 -14.2021 PRESSURE: 2127400 288.085 -246.13 160.639 -246.13 162.531 91.0806 160.64 91.0815 110.757 GPRESSURE: 2127400 345.482 -285.259 164.9 -233.866 177.155 40.3923 152.122 167.933 130.618 PRESSAVG: 2127400 5.70507 -39.9241 65.6529 -39.9242 -63.7069 8.59818 65.6528 8.59815 86.3729 GPRESSAVG: 2127400 6.16167 -40.9935 68.255 -39.873 -64.4295 9.01484 63.2009 7.6991 86.2961 TIMING: 2127400 CPU: 6413.36, 0.00300692/step Wall: 6413.36, 0.00300692/step, 2.39935 hours remaining, 210.742188 MB of memory in use. ENERGY: 2127400 728.5179 2087.1381 1937.3429 109.1587 -206367.4024 18025.4514 0.0000 0.0000 34305.0153 -149174.7782 299.5942 -183479.7935 -149075.2448 299.1541 187.1245 217.7517 557316.8840 9.4570 9.3428 PRESSURE: 2127600 121.333 -151.98 159.735 -151.981 -205.19 -109.834 159.734 -109.834 227.488 GPRESSURE: 2127600 166.415 -80.0719 213.266 -226.101 -142.28 -209.466 192.285 -3.18468 218.214 PRESSAVG: 2127600 26.2521 -39.9737 41.8158 -39.9737 -76.4221 -1.05631 41.8157 -1.05631 4.79414 GPRESSAVG: 2127600 25.6978 -40.2054 41.1928 -40.2042 -75.5939 -2.15782 39.8938 0.327955 5.40538 TIMING: 2127600 CPU: 6413.96, 0.00299321/step Wall: 6413.96, 0.00299321/step, 2.38825 hours remaining, 210.742188 MB of memory in use. ENERGY: 2127600 703.0818 2120.6774 1916.9113 107.2131 -206164.6765 17879.4602 0.0000 0.0000 34375.8874 -149061.4455 300.2132 -183437.3328 -148964.6068 299.9665 47.8766 80.7834 557565.0265 -15.1253 -14.8302 PRESSURE: 2127800 -37.3112 67.2977 -163.551 67.2988 -140.768 94.5024 -163.553 94.5035 46.8149 GPRESSURE: 2127800 -65.0564 101.381 -148.346 98.3015 -91.1777 113.636 -169.918 74.8444 119.6 PRESSAVG: 2127800 -25.4498 -22.0464 14.1514 -22.0465 3.27735 -2.32173 14.1513 -2.32178 87.3091 GPRESSAVG: 2127800 -25.9041 -20.0679 13.362 -23.9322 4.21737 -0.659967 16.7602 -1.92165 87.1205 TIMING: 2127800 CPU: 6414.56, 0.00297289/step Wall: 6414.56, 0.00297289/step, 2.37187 hours remaining, 210.742188 MB of memory in use. ENERGY: 2127800 708.7249 2085.6356 1916.9767 112.0705 -206010.0908 17726.1857 0.0000 0.0000 34450.9637 -149009.5336 300.8688 -183460.4973 -148911.9946 300.1679 -43.7546 -12.2115 559589.5913 21.7122 21.8113 PRESSURE: 2128000 -278.271 1.19725 -156.615 1.19795 -274.25 74.0461 -156.615 74.0439 -41.083 GPRESSURE: 2128000 -239.131 -6.50961 -104.73 5.19974 -226.382 71.6916 -130.934 85.7268 -14.6376 PRESSAVG: 2128000 1.39421 -29.8825 -8.33478 -29.8825 -40.4892 -11.3693 -8.33491 -11.3693 33.6486 GPRESSAVG: 2128000 2.524 -28.9746 -10.541 -28.5638 -43.0209 -12.1773 -7.76244 -12.6094 34.9682 TIMING: 2128000 CPU: 6415.15, 0.00298186/step Wall: 6415.15, 0.00298186/step, 2.37886 hours remaining, 210.742188 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: 2128000 706.2081 2094.7270 1914.0403 113.9661 -205572.5992 17430.1017 0.0000 0.0000 34507.3263 -148806.2297 301.3611 -183313.5560 -148713.8643 299.7609 -197.8679 -160.0501 558551.5708 -1.8155 -1.8429 PRESSURE: 2128200 -77.5456 104.986 -136.358 104.986 -180.298 -15.6197 -136.358 -15.6211 -42.7532 GPRESSURE: 2128200 -66.9584 26.8877 -100.111 169.267 -120.804 36.4488 -128.207 38.7842 -23.7362 PRESSAVG: 2128200 -23.2227 7.5146 -51.6276 7.5146 -72.954 32.7893 -51.6275 32.7892 98.6393 GPRESSAVG: 2128200 -23.5272 5.36137 -51.7 7.10289 -72.7002 33.9707 -52.8366 33.7799 98.4767 TIMING: 2128200 CPU: 6415.75, 0.00300689/step Wall: 6415.75, 0.00300689/step, 2.39866 hours remaining, 210.742188 MB of memory in use. ENERGY: 2128200 719.2653 2115.3595 1928.7381 127.1598 -205911.8563 17683.1839 0.0000 0.0000 34557.3233 -148780.8264 301.7977 -183338.1497 -148692.1942 301.3996 -100.1988 -70.4994 559532.3361 0.8209 0.7498 LDB: ============= START OF LOAD BALANCING ============== 6419.27 LDB: ============== END OF LOAD BALANCING =============== 6419.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6419.27 LDB: ============= START OF LOAD BALANCING ============== 6419.57 LDB: Largest compute 4801 load 0.029192 is 24.7% of average load 0.118085 LDB: Average compute 0.001736 is 1.5% of average load 0.118085 LDB: TIME 6419.58 LOAD: AVG 0.118085 MAX 0.20682 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.543 MB LDB: TIME 6419.58 LOAD: AVG 0.118085 MAX 0.20682 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.746 MB LDB: TIME 6419.58 LOAD: AVG 0.118085 MAX 0.20682 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.746 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6419.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6419.58 PRESSURE: 2128400 -61.1233 -56.5063 97.0493 -56.5059 81.2981 -139.468 97.05 -139.469 171.91 GPRESSURE: 2128400 27.7267 -85.0335 135.819 -68.5562 35.7212 -117.941 139.001 -91.4547 219.317 PRESSAVG: 2128400 -15.8458 5.72015 3.53432 5.72021 17.898 53.8838 3.53428 53.8837 11.4023 GPRESSAVG: 2128400 -16.4812 4.95342 6.23805 5.16039 18.958 53.0119 2.64006 54.6007 10.8014 TIMING: 2128400 CPU: 6416.37, 0.00306202/step Wall: 6416.37, 0.00306202/step, 2.44247 hours remaining, 209.710938 MB of memory in use. ENERGY: 2128400 772.0301 2081.1455 1928.2355 120.7203 -205917.7071 17885.3124 0.0000 0.0000 34435.7735 -148694.4897 300.7362 -183130.2632 -148594.8004 300.5499 64.0282 94.2550 558455.5041 4.4848 4.4261 PRESSURE: 2128600 83.8429 -76.0342 -192.116 -76.0325 -354.87 -110.979 -192.115 -110.979 -227.012 GPRESSURE: 2128600 43.0392 -60.6886 -186.381 -106.009 -312.918 -137.194 -187.503 -48.7336 -129.336 PRESSAVG: 2128600 39.9614 1.02878 -30.2485 1.02878 25.9754 -58.9901 -30.2485 -58.9902 -48.0144 GPRESSAVG: 2128600 41.0934 1.78067 -31.1793 1.59769 24.8921 -62.2085 -29.7605 -59.1341 -47.8023 TIMING: 2128600 CPU: 6416.97, 0.00299657/step Wall: 6416.97, 0.00299657/step, 2.39009 hours remaining, 210.171875 MB of memory in use. ENERGY: 2128600 766.9926 2064.3038 1923.9442 117.7976 -205670.8226 17668.5044 0.0000 0.0000 34281.2554 -148848.0246 299.3867 -183129.2800 -148754.6610 300.5702 -166.0131 -133.0717 558916.0420 5.9741 6.0611 PRESSURE: 2128800 -69.4001 13.0673 4.92391 13.0665 75.1368 -52.4352 4.92226 -52.4358 89.2555 GPRESSURE: 2128800 -2.88886 14.1495 36.2943 -3.95853 132.021 -79.9889 87.6931 -55.2557 65.7377 PRESSAVG: 2128800 -5.71576 -35.9733 -9.72055 -35.9733 28.9628 -27.5446 -9.7205 -27.5445 -31.2434 GPRESSAVG: 2128800 -6.61196 -34.4399 -9.63114 -36.9933 29.6263 -23.8744 -9.49912 -29.0142 -31.1094 TIMING: 2128800 CPU: 6417.57, 0.0030108/step Wall: 6417.57, 0.0030108/step, 2.40128 hours remaining, 210.171875 MB of memory in use. ENERGY: 2128800 742.4489 2009.3798 1926.2859 112.1501 -206040.4219 17833.1102 0.0000 0.0000 34557.7379 -148859.3091 301.8013 -183417.0469 -148758.9214 300.3951 31.6641 64.9566 557851.7621 -2.6655 -2.6983 PRESSURE: 2129000 -157.047 -78.8753 46.3684 -78.8748 -297.806 -3.07631 46.3685 -3.07412 201.726 GPRESSURE: 2129000 -152.759 -64.6929 40.1562 -70.3619 -220.79 -28.9705 44.7401 -3.23214 208.258 PRESSAVG: 2129000 17.6105 -54.7295 12.4716 -54.7294 -59.5771 2.00132 12.4716 2.00117 59.8579 GPRESSAVG: 2129000 16.6959 -56.3438 13.2781 -53.9496 -58.6937 0.659789 12.4407 2.37298 59.5961 TIMING: 2129000 CPU: 6418.17, 0.00299552/step Wall: 6418.17, 0.00299552/step, 2.38893 hours remaining, 210.171875 MB of memory in use. ENERGY: 2129000 730.4340 1981.6917 1932.3394 114.5661 -205492.1913 17526.4275 0.0000 0.0000 34425.6880 -148781.0447 300.6481 -183206.7327 -148676.1879 300.7942 -84.3759 -55.0969 559707.8026 5.9638 5.8661 PRESSURE: 2129200 182.817 127.523 79.0168 127.523 15.9486 -51.3355 79.0186 -51.3352 -28.6154 GPRESSURE: 2129200 236.31 179.443 49.727 72.5821 3.72773 -71.2302 115.298 -58.2192 33.3898 PRESSAVG: 2129200 -19.5517 -9.99863 37.337 -9.9986 -30.59 21.3574 37.3371 21.3574 81.2515 GPRESSAVG: 2129200 -18.8986 -7.75897 37.7947 -10.7436 -31.839 20.667 37.0029 21.232 81.2349 TIMING: 2129200 CPU: 6418.76, 0.00297917/step Wall: 6418.76, 0.00297917/step, 2.37572 hours remaining, 210.171875 MB of memory in use. ENERGY: 2129200 758.9737 2107.3227 1910.8958 115.7335 -205813.8702 17869.7598 0.0000 0.0000 34418.5457 -148632.6389 300.5857 -183051.1847 -148540.2425 300.7909 56.7167 91.1426 558442.5417 10.3699 10.1658 PRESSURE: 2129400 -276.442 -266.084 49.3538 -266.085 73.3726 10.0307 49.3542 10.0305 -50.4451 GPRESSURE: 2129400 -263.66 -316.291 122.688 -239.265 88.7496 -40.5149 -36.5453 28.3148 14.3375 PRESSAVG: 2129400 -23.3633 -29.6549 21.6074 -29.6549 -30.7008 -11.7124 21.6075 -11.7125 52.3211 GPRESSAVG: 2129400 -23.7385 -31.475 19.9645 -28.0004 -29.6951 -10.4718 19.2079 -11.3724 52.0556 TIMING: 2129400 CPU: 6419.36, 0.00298879/step Wall: 6419.36, 0.00298879/step, 2.38323 hours remaining, 210.242188 MB of memory in use. ENERGY: 2129400 747.8439 2102.2427 1959.9578 108.8344 -205546.9107 17629.0404 0.0000 0.0000 34414.7911 -148584.2004 300.5529 -182998.9915 -148490.0893 301.1512 -84.5047 -53.5244 559338.4928 -0.5810 -0.4593 PRESSURE: 2129600 186.161 0.0696907 71.3991 0.0705805 -124.372 -109.747 71.3981 -109.748 -17.3556 GPRESSURE: 2129600 183.612 -89.3734 71.9201 -28.5344 -86.1348 -33.6599 114.673 -154.784 30.5394 PRESSAVG: 2129600 70.2013 -24.6998 17.0885 -24.6998 -49.6896 -0.782796 17.0885 -0.782846 -8.6543 GPRESSAVG: 2129600 70.7666 -26.1376 17.6451 -25.0678 -49.0941 -1.75249 19.4604 -0.352235 -9.71931 TIMING: 2129600 CPU: 6419.96, 0.00300736/step Wall: 6419.96, 0.00300736/step, 2.39787 hours remaining, 210.242188 MB of memory in use. ENERGY: 2129600 732.1760 2026.3040 1922.3339 103.2638 -205528.6922 17702.5643 0.0000 0.0000 34378.9877 -148663.0626 300.2403 -183042.0503 -148561.5082 300.3610 14.8111 42.6722 558182.0579 3.9525 3.9844 PRESSURE: 2129800 33.4078 31.9386 220.056 31.9382 -145.883 74.1961 220.058 74.1964 176.825 GPRESSURE: 2129800 100.004 46.5169 207.416 -12.4155 -95.8627 109.059 200.494 49.6438 170.413 PRESSAVG: 2129800 -37.3661 -14.0945 34.8334 -14.0945 -8.19293 -26.5359 34.8334 -26.5359 83.407 GPRESSAVG: 2129800 -38.3368 -14.6552 33.9259 -13.9426 -9.27782 -25.4727 35.8118 -26.9843 84.5749 TIMING: 2129800 CPU: 6420.56, 0.00300641/step Wall: 6420.56, 0.00300641/step, 2.39695 hours remaining, 210.242188 MB of memory in use. ENERGY: 2129800 755.8136 2048.9785 1943.2001 104.2118 -205766.5645 17814.0618 0.0000 0.0000 34359.4414 -148740.8572 300.0695 -183100.2987 -148635.5994 300.8192 21.4498 58.1848 557420.9364 12.6160 12.3201 PRESSURE: 2130000 101.457 102.698 57.7845 102.698 -110.127 -135.238 57.7831 -135.239 -75.9063 GPRESSURE: 2130000 131.838 64.9368 5.48353 138.715 -112.926 -132.789 87.1442 -132.995 3.78871 PRESSAVG: 2130000 -16.99 -5.11351 -1.99921 -5.11352 16.8996 -14.8191 -1.99917 -14.8191 18.0111 GPRESSAVG: 2130000 -16.6311 -2.46444 0.303179 -4.89184 18.0302 -13.8377 -3.93517 -14.8571 16.6224 TIMING: 2130000 CPU: 6421.16, 0.00299184/step Wall: 6421.16, 0.00299184/step, 2.38516 hours remaining, 210.242188 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: 2130000 752.7559 2078.9987 1923.6327 121.7411 -205759.1305 17740.5982 0.0000 0.0000 34437.5348 -148703.8691 300.7516 -183141.4039 -148608.0215 301.0781 -28.1922 7.5670 559318.3291 5.9735 6.0071 PRESSURE: 2130200 -66.5612 -187.25 -55.9229 -187.25 185.108 40.9809 -55.9226 40.9813 -67.4651 GPRESSURE: 2130200 -68.5164 -165.999 92.6397 -201.31 203.125 -16.7677 -109.236 65.8781 3.38492 PRESSAVG: 2130200 -65.8552 -10.0561 -2.7206 -10.0561 64.9888 -27.6731 -2.72049 -27.6731 9.8983 GPRESSAVG: 2130200 -65.5714 -11.662 -4.10034 -9.87105 63.8729 -28.5365 -2.42805 -28.3668 11.1443 TIMING: 2130200 CPU: 6421.76, 0.00299209/step Wall: 6421.76, 0.00299209/step, 2.3852 hours remaining, 210.242188 MB of memory in use. ENERGY: 2130200 729.6442 2171.6646 1911.0315 114.2553 -206055.5043 17834.2459 0.0000 0.0000 34327.8127 -148966.8500 299.7933 -183294.6628 -148872.1009 300.0203 17.0273 45.9977 558168.6197 3.0106 3.1486 PRESSURE: 2130400 -108.659 -42.6938 -148.063 -42.6933 270.463 -104.121 -148.061 -104.121 90.7532 GPRESSURE: 2130400 -111.404 36.6095 -195.036 -102.374 287.564 -91.9767 -69.136 -193.377 173.389 PRESSAVG: 2130400 35.8315 1.87443 -8.60939 1.87433 51.2984 12.3295 -8.60932 12.3296 -24.8814 GPRESSAVG: 2130400 36.2545 2.49773 -8.9656 0.200966 51.7754 8.06554 -7.09645 13.3574 -25.6639 TIMING: 2130400 CPU: 6422.35, 0.00296847/step Wall: 6422.35, 0.00296847/step, 2.3662 hours remaining, 210.242188 MB of memory in use. ENERGY: 2130400 725.7195 2119.2970 1924.0234 109.2986 -206306.4876 17978.0480 0.0000 0.0000 34253.9624 -149196.1387 299.1484 -183450.1010 -149095.6416 300.0892 84.1857 116.5162 555875.2661 20.7495 20.7887 PRESSURE: 2130600 -245.05 -104.748 42.089 -104.748 89.8978 -19.2894 42.0881 -19.2909 -58.8943 GPRESSURE: 2130600 -268.227 -43.8005 28.2107 0.830434 170.572 -10.8553 40.9389 -18.4109 -25.443 PRESSAVG: 2130600 -27.3611 -9.60464 -24.8675 -9.60461 33.2502 -38.2403 -24.8676 -38.2403 -47.757 GPRESSAVG: 2130600 -26.6691 -10.3177 -23.0508 -7.98352 32.224 -36.7273 -25.6564 -37.2868 -47.0845 TIMING: 2130600 CPU: 6422.95, 0.00297863/step Wall: 6422.95, 0.00297863/step, 2.37413 hours remaining, 210.242188 MB of memory in use. ENERGY: 2130600 735.6805 2035.8753 1929.7612 113.7710 -206587.0245 18001.9826 0.0000 0.0000 34429.1468 -149340.8071 300.6783 -183769.9539 -149243.5840 298.9342 -71.3490 -41.0327 557697.5361 -13.9560 -13.8432 PRESSURE: 2130800 -150.612 -143.127 43.2625 -143.128 77.3448 -8.75392 43.2633 -8.75421 -193.33 GPRESSURE: 2130800 -118.733 -72.6675 -1.70636 -183.94 104.221 -82.8336 -8.02266 82.8796 -160.207 PRESSAVG: 2130800 13.713 42.7172 -15.7979 42.7172 13.064 -11.1007 -15.798 -11.1006 -30.9602 GPRESSAVG: 2130800 12.4295 41.6795 -16.2872 41.7831 13.8677 -9.63531 -16.8953 -10.8645 -30.226 TIMING: 2130800 CPU: 6423.54, 0.00297069/step Wall: 6423.54, 0.00297069/step, 2.36764 hours remaining, 210.242188 MB of memory in use. ENERGY: 2130800 710.5671 2090.0542 1924.2578 104.2528 -206101.8794 17784.0980 0.0000 0.0000 34115.5926 -149373.0569 297.9400 -183488.6495 -149279.4923 299.1472 -88.8658 -58.2394 557940.6311 -1.3944 -1.3096 PRESSURE: 2131000 104.851 -116.79 44.062 -116.79 -232.292 84.2768 44.0608 84.2741 -23.6712 GPRESSURE: 2131000 89.7238 -82.1125 34.4482 -114.306 -217.657 8.17078 73.8865 141.701 68.1697 PRESSAVG: 2131000 23.0901 -38.2921 19.7318 -38.2921 -7.63123 9.73766 19.7319 9.73765 -16.5646 GPRESSAVG: 2131000 24.8118 -36.7383 20.6638 -38.1065 -7.82586 11.794 19.4277 6.19336 -17.8326 TIMING: 2131000 CPU: 6424.14, 0.00300087/step Wall: 6424.14, 0.00300087/step, 2.39152 hours remaining, 210.242188 MB of memory in use. ENERGY: 2131000 734.3534 2116.4219 1956.0542 114.6578 -206182.7186 17773.4715 0.0000 0.0000 34333.9922 -149153.7675 299.8473 -183487.7597 -149065.7397 299.6538 -50.3709 -19.9210 558235.1460 -0.3686 -0.2822 PRESSURE: 2131200 -247.422 37.5955 -28.6902 37.5948 69.2677 -33.6106 -28.69 -33.6119 0.0645528 GPRESSURE: 2131200 -153.342 -2.09632 -18.8312 -27.9201 91.7125 11.6819 -79.0217 -40.718 -16.8948 PRESSAVG: 2131200 2.30941 -22.9247 -2.23244 -22.9246 37.7188 5.83448 -2.2324 5.83431 -65.1144 GPRESSAVG: 2131200 1.5389 -22.9866 -4.13764 -23.6027 38.1847 5.41909 -1.69967 7.81383 -64.8686 TIMING: 2131200 CPU: 6424.74, 0.00299276/step Wall: 6424.74, 0.00299276/step, 2.3849 hours remaining, 210.242188 MB of memory in use. ENERGY: 2131200 758.3324 2091.1002 1923.0959 108.1873 -205977.6629 17736.4660 0.0000 0.0000 34240.1222 -149120.3592 299.0275 -183360.4813 -149023.0576 299.8273 -59.3633 -26.1746 557778.8882 -8.3621 -8.3817 PRESSURE: 2131400 9.46944 185.548 118.902 185.547 -189.504 24.8229 118.902 24.8228 -274.962 GPRESSURE: 2131400 64.43 190.864 2.48421 127.266 -160.838 47.3557 214.467 13.0716 -257.046 PRESSAVG: 2131400 -47.263 -40.3348 -8.8381 -40.3349 40.3153 35.1523 -8.83812 35.1523 -4.83954 GPRESSAVG: 2131400 -47.2635 -39.1814 -8.66744 -41.1678 40.3771 33.9129 -10.2117 34.6259 -4.84575 TIMING: 2131400 CPU: 6425.35, 0.00302235/step Wall: 6425.35, 0.00302235/step, 2.40831 hours remaining, 210.242188 MB of memory in use. ENERGY: 2131400 743.7351 2110.1401 1916.4986 115.6305 -205801.9823 17483.4481 0.0000 0.0000 34277.6254 -149154.9044 299.3550 -183432.5299 -149058.1627 299.8619 -151.6655 -117.8180 556182.4250 -3.9291 -3.9107 PRESSURE: 2131600 -45.085 48.3601 -232.479 48.3605 -138.068 37.5087 -232.477 37.5088 -189.35 GPRESSURE: 2131600 -45.1021 44.8877 -145.1 96.6253 -86.4597 -35.8989 -295.447 124.558 -140.286 PRESSAVG: 2131600 -47.1969 15.2454 14.9907 15.2455 -1.86432 2.78959 14.9905 2.78967 48.2134 GPRESSAVG: 2131600 -46.9644 15.2846 16.8852 15.8761 -3.25896 3.8485 16.4488 2.66979 49.499 TIMING: 2131600 CPU: 6425.95, 0.00302702/step Wall: 6425.95, 0.00302702/step, 2.41186 hours remaining, 210.242188 MB of memory in use. ENERGY: 2131600 778.1829 2060.4393 1927.7532 125.0890 -206040.3362 17739.1153 0.0000 0.0000 34283.8977 -149125.8587 299.4098 -183409.7564 -149032.8380 299.4376 -124.1680 -90.6159 556699.5136 -0.2826 -0.2414 PRESSURE: 2131800 -100.95 54.0721 60.6847 54.0725 171.341 34.8376 60.6856 34.8382 43.0603 GPRESSURE: 2131800 -107.466 97.4011 59.8914 -37.8529 250.817 73.0436 21.6694 17.1547 70.4259 PRESSAVG: 2131800 1.24137 20.0474 1.39506 20.0475 -15.504 26.6399 1.39506 26.6399 20.4353 GPRESSAVG: 2131800 0.0339382 20.0313 -1.24906 19.432 -13.6958 25.8505 1.57009 26.7475 19.7371 TIMING: 2131800 CPU: 6426.56, 0.0030174/step Wall: 6426.56, 0.0030174/step, 2.40403 hours remaining, 210.242188 MB of memory in use. ENERGY: 2131800 768.5462 2066.9949 1955.6718 115.4006 -206264.4175 17934.5014 0.0000 0.0000 34579.2733 -148844.0294 301.9894 -183423.3027 -148749.7474 299.9943 37.8172 71.2590 557977.0055 2.0576 2.0251 PRESSURE: 2132000 -95.3809 -140.127 -107.671 -140.127 -15.8694 34.1292 -107.67 34.1298 91.4334 GPRESSURE: 2132000 -61.6865 -158.809 -36.0037 -113.134 16.4759 54.736 -135.691 -18.7499 127.252 PRESSAVG: 2132000 -66.2196 -32.2399 -20.0115 -32.2399 83.4892 -26.1315 -20.0116 -26.1314 -46.3228 GPRESSAVG: 2132000 -65.1876 -34.0713 -20.4041 -29.6089 82.9462 -25.8358 -18.1765 -26.8333 -46.8457 TIMING: 2132000 CPU: 6427.15, 0.00299374/step Wall: 6427.15, 0.00299374/step, 2.38501 hours remaining, 210.242188 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: 2132000 743.6469 2104.9169 1947.4897 102.4412 -206129.2313 17859.1107 0.0000 0.0000 34367.1538 -149004.4721 300.1369 -183371.6259 -148902.2160 300.3125 -6.6056 27.3472 558797.3014 -9.6844 -9.6957 PRESSURE: 2132200 104.128 -7.22412 -173.549 -7.22525 152.87 -80.3635 -173.549 -80.364 113.349 GPRESSURE: 2132200 154.617 162.781 -186.309 -60.0803 139.677 -150.123 -179.188 -15.5478 172.515 PRESSAVG: 2132200 -62.1791 -35.1325 -45.5722 -35.1326 31.9352 -0.0743289 -45.5722 -0.0744057 51.2727 GPRESSAVG: 2132200 -62.9188 -33.2151 -43.655 -37.9878 32.1972 -0.486243 -49.5552 2.99662 51.6265 TIMING: 2132200 CPU: 6427.76, 0.0030018/step Wall: 6427.76, 0.0030018/step, 2.39127 hours remaining, 210.242188 MB of memory in use. ENERGY: 2132200 764.3468 2153.5927 1938.0874 108.6357 -206591.8740 18161.1312 0.0000 0.0000 34431.8662 -149034.2140 300.7021 -183466.0802 -148937.3022 299.8663 123.4487 155.6029 558127.7860 7.0096 6.9683 LDB: ============= START OF LOAD BALANCING ============== 6431.27 LDB: ============== END OF LOAD BALANCING =============== 6431.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6431.27 LDB: ============= START OF LOAD BALANCING ============== 6431.57 LDB: Largest compute 4801 load 0.029242 is 24.8% of average load 0.118082 LDB: Average compute 0.001731 is 1.5% of average load 0.118082 LDB: TIME 6431.57 LOAD: AVG 0.118082 MAX 0.203637 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.711 MB LDB: TIME 6431.57 LOAD: AVG 0.118082 MAX 0.203637 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.914 MB LDB: TIME 6431.57 LOAD: AVG 0.118082 MAX 0.203637 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.914 MB LDB: ============== END OF LOAD BALANCING =============== 6431.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6431.58 PRESSURE: 2132400 -263.303 67.0652 141.491 67.0646 -52.4059 52.8839 141.492 52.8842 -82.7376 GPRESSURE: 2132400 -231.048 146.946 104.769 -18.2147 -29.0331 24.2394 161.495 150.373 -33.535 PRESSAVG: 2132400 -30.8629 24.092 41.6904 24.092 -1.05202 29.4273 41.6905 29.4274 29.6656 GPRESSAVG: 2132400 -31.2407 25.0301 41.2997 23.8382 -1.49872 28.941 45.1024 28.4486 30.3877 TIMING: 2132400 CPU: 6428.36, 0.00303446/step Wall: 6428.36, 0.00303446/step, 2.41711 hours remaining, 208.285156 MB of memory in use. ENERGY: 2132400 773.8518 2130.9627 1923.1806 125.6916 -206266.6977 17910.6389 0.0000 0.0000 34489.7495 -148912.6225 301.2076 -183402.3720 -148816.5103 300.1680 -132.8155 -97.8719 559951.5700 -0.7498 -0.7839 PRESSURE: 2132600 125.561 113.118 142.361 113.12 132.445 12.0719 142.361 12.07 393.648 GPRESSURE: 2132600 127.873 96.4808 119.683 98.7786 183.202 69.8879 109.59 39.7887 428.608 PRESSAVG: 2132600 -0.242884 27.1 31.2771 27.1 24.7036 43.3319 31.2771 43.332 -9.30364 GPRESSAVG: 2132600 -0.0319995 25.1915 32.11 29.0774 25.2705 43.1404 30.8692 41.8954 -10.5792 TIMING: 2132600 CPU: 6428.96, 0.00301191/step Wall: 6428.96, 0.00301191/step, 2.39899 hours remaining, 208.488281 MB of memory in use. ENERGY: 2132600 741.5432 2076.4395 1930.1521 113.8631 -206298.7631 18084.4410 0.0000 0.0000 34414.2940 -148938.0302 300.5486 -183352.3242 -148843.5056 300.3314 217.2182 246.5608 558241.2375 5.0524 4.8864 PRESSURE: 2132800 46.5932 -22.223 -26.3269 -22.2236 16.7547 -108.501 -26.3286 -108.501 -17.6339 GPRESSURE: 2132800 58.8337 -25.2781 -41.8184 13.7817 60.2821 -106.65 26.7913 -121.372 17.3974 PRESSAVG: 2132800 -2.42794 -74.3433 26.1895 -74.3433 31.4115 35.6814 26.1894 35.6814 -2.95457 GPRESSAVG: 2132800 -2.46866 -72.8292 25.1198 -75.5341 30.6091 36.4109 24.5701 36.6921 -2.03087 TIMING: 2132800 CPU: 6429.56, 0.00299747/step Wall: 6429.56, 0.00299747/step, 2.38732 hours remaining, 208.488281 MB of memory in use. ENERGY: 2132800 745.1704 2125.1118 1971.5359 117.1044 -205991.6107 17844.4554 0.0000 0.0000 34273.2114 -148915.0214 299.3165 -183188.2328 -148813.9977 299.3060 15.2380 45.5044 558151.5483 8.6763 8.7032 PRESSURE: 2133000 -377.142 144.557 -15.1582 144.557 -103.902 20.6944 -15.1585 20.6957 -382.816 GPRESSURE: 2133000 -354.507 134.927 -20.4217 171.078 -89.546 70.1991 50.4696 43.7694 -324.873 PRESSAVG: 2133000 -79.6769 -9.83488 25.0941 -9.83476 63.5179 -12.7021 25.0941 -12.7022 -25.1949 GPRESSAVG: 2133000 -78.9103 -12.5727 26.0959 -8.04826 63.3441 -14.1491 25.8313 -11.3748 -25.4112 TIMING: 2133000 CPU: 6430.16, 0.00298654/step Wall: 6430.16, 0.00298654/step, 2.37845 hours remaining, 208.488281 MB of memory in use. ENERGY: 2133000 757.3312 2077.4621 1959.7185 108.3695 -205709.3492 17533.8690 0.0000 0.0000 34159.4129 -149113.1860 298.3226 -183272.5990 -149010.9419 299.6886 -287.9534 -256.3088 559538.2941 -13.7846 -13.6592 PRESSURE: 2133200 30.3816 29.8961 -58.438 29.8952 -265.07 -63.0872 -58.4369 -63.0876 140.596 GPRESSURE: 2133200 45.2093 -15.8304 -19.1277 67.651 -222.551 -87.4818 -86.5737 21.9394 170.813 PRESSAVG: 2133200 -48.9826 19.1264 -15.9945 19.1264 25.1786 -2.39512 -15.9945 -2.39513 7.75401 GPRESSAVG: 2133200 -50.0787 20.0575 -15.2037 18.9232 26.0921 -0.462738 -19.0906 -2.10536 7.38999 TIMING: 2133200 CPU: 6430.76, 0.00298407/step Wall: 6430.76, 0.00298407/step, 2.37631 hours remaining, 208.488281 MB of memory in use. ENERGY: 2133200 696.5329 2150.1698 1953.6763 119.2240 -206010.9833 17731.2748 0.0000 0.0000 34282.1640 -149077.9414 299.3947 -183360.1054 -148978.8462 300.0346 -31.3640 -2.1763 559216.7925 -5.3500 -5.5322 PRESSURE: 2133400 -94.1035 -115.058 -17.1494 -115.056 -20.641 -129.911 -17.1491 -129.911 116.216 GPRESSURE: 2133400 -79.2858 -125.901 21.2748 -74.4287 52.5528 -19.6811 60.5546 -147.254 133.314 PRESSAVG: 2133400 -29.1582 -55.57 -13.4012 -55.5699 -31.3806 45.2728 -13.4012 45.2728 43.3857 GPRESSAVG: 2133400 -28.8504 -56.5727 -15.3899 -55.6507 -31.384 45.1928 -10.084 44.2978 43.3764 TIMING: 2133400 CPU: 6431.36, 0.00300356/step Wall: 6431.36, 0.00300356/step, 2.39166 hours remaining, 208.488281 MB of memory in use. ENERGY: 2133400 733.9882 2126.5309 1928.3405 101.4317 -206012.8851 17688.4095 0.0000 0.0000 34269.2357 -149164.9486 299.2818 -183434.1843 -149065.1087 299.7327 0.4906 35.5271 557020.9268 -5.7177 -5.6193 PRESSURE: 2133600 79.3839 0.0897057 1.08344 0.0909437 -97.0694 20.366 1.08288 20.3652 -121.101 GPRESSURE: 2133600 81.7242 -38.69 26.6137 102.389 -85.208 15.9973 -39.8318 5.51538 -26.0557 PRESSAVG: 2133600 -3.79504 -82.5718 8.0854 -82.5718 -72.5424 -8.35421 8.0854 -8.35417 76.116 GPRESSAVG: 2133600 -5.04721 -81.4817 7.08162 -82.8078 -72.262 -9.16964 7.68297 -7.12897 76.2829 TIMING: 2133600 CPU: 6431.96, 0.00299792/step Wall: 6431.96, 0.00299792/step, 2.38701 hours remaining, 208.488281 MB of memory in use. ENERGY: 2133600 771.0935 2099.1823 1914.3558 134.8661 -206059.6195 17867.5791 0.0000 0.0000 34094.6113 -149177.9315 297.7567 -183272.5428 -149081.5852 299.3831 -46.2623 -9.8465 557167.1183 -0.0738 -0.3421 PRESSURE: 2133800 -49.8904 32.8746 117.082 32.8751 115.984 -161.553 117.082 -161.55 87.1811 GPRESSURE: 2133800 47.6979 -53.3692 127.793 2.0823 111.004 -79.5726 99.5955 -146.541 86.8088 PRESSAVG: 2133800 -37.1055 4.04631 5.35148 4.04635 14.3726 -10.2832 5.35154 -10.2833 16.1343 GPRESSAVG: 2133800 -37.0297 3.19017 7.65116 3.71999 14.1229 -10.4018 5.87287 -12.2789 16.1022 TIMING: 2133800 CPU: 6432.55, 0.00296525/step Wall: 6432.55, 0.00296525/step, 2.36083 hours remaining, 208.488281 MB of memory in use. ENERGY: 2133800 750.9935 2132.0981 1920.7850 99.5658 -206258.9827 17687.5885 0.0000 0.0000 34319.2027 -149348.7490 299.7181 -183667.9517 -149239.1553 298.7803 51.0915 81.8371 556730.5895 -2.1995 -2.2682 PRESSURE: 2134000 19.7303 15.3886 52.2207 15.387 329.587 100.28 52.2197 100.28 177.724 GPRESSURE: 2134000 74.8228 -48.7314 77.1335 53.6814 357.975 186.478 157.736 46.6272 195.981 PRESSAVG: 2134000 29.5642 45.9984 -5.89254 45.9984 9.69237 20.9635 -5.89254 20.9635 -21.7289 GPRESSAVG: 2134000 30.2783 47.2796 -7.20247 47.18 9.22458 21.4495 -5.57328 24.0305 -21.5523 TIMING: 2134000 CPU: 6433.15, 0.00299567/step Wall: 6433.15, 0.00299567/step, 2.38488 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: 2134000 772.4155 2117.9050 1914.5660 107.4471 -206658.7190 18081.5690 0.0000 0.0000 34240.7054 -149424.1110 299.0326 -183664.8164 -149327.9722 298.1690 175.6806 209.5932 555436.1047 5.8425 5.9835 PRESSURE: 2134200 -48.7627 -134.918 136.276 -134.918 295.198 85.6734 136.274 85.6735 -89.5994 GPRESSURE: 2134200 39.4196 -141.408 124.41 -92.8568 285.063 79.4148 151.575 75.9397 -59.1033 PRESSAVG: 2134200 26.8871 38.1265 -35.2838 38.1265 16.1301 40.2095 -35.2838 40.2095 -32.9518 GPRESSAVG: 2134200 26.805 37.7984 -36.3694 37.2757 16.768 37.8959 -36.5645 39.6121 -33.0971 TIMING: 2134200 CPU: 6433.75, 0.00301908/step Wall: 6433.75, 0.00301908/step, 2.40335 hours remaining, 208.488281 MB of memory in use. ENERGY: 2134200 717.4821 2116.5516 1954.4258 117.6639 -205991.4952 17684.2927 0.0000 0.0000 34051.9003 -149349.1789 297.3837 -183401.0792 -149248.7771 299.2992 52.2787 88.4598 555291.3375 3.3551 3.4919 PRESSURE: 2134400 -99.2951 41.9521 59.6054 41.9522 -414.401 -113.079 59.6047 -113.079 -45.5577 GPRESSURE: 2134400 -98.7292 29.5829 62.1507 97.174 -361.585 -67.2517 115.815 -142.907 2.02859 PRESSAVG: 2134400 -16.1144 5.90862 -3.24863 5.90865 18.4777 -39.4622 -3.24863 -39.4621 21.8646 GPRESSAVG: 2134400 -16.3442 5.77132 -2.49312 6.24554 19.057 -36.4159 -2.20191 -40.8656 21.0737 TIMING: 2134400 CPU: 6434.36, 0.00302183/step Wall: 6434.36, 0.00302183/step, 2.40538 hours remaining, 208.488281 MB of memory in use. ENERGY: 2134400 740.7584 2084.1969 1938.1363 126.3838 -205849.2033 17484.4471 0.0000 0.0000 34278.7075 -149196.5733 299.3645 -183475.2807 -149100.2871 299.0043 -186.4179 -152.7618 556544.3405 8.0760 7.9288 PRESSURE: 2134600 -184.408 118.382 -77.8111 118.381 -94.4231 -16.559 -77.8134 -16.5586 234.766 GPRESSURE: 2134600 -116.235 53.9921 -33.1411 213.897 -41.4486 -18.6949 -34.9273 16.9613 211.758 PRESSAVG: 2134600 -9.86116 14.7301 15.3645 14.7301 -17.3425 -38.4344 15.3645 -38.4344 67.2375 GPRESSAVG: 2134600 -8.89226 14.9416 16.6259 16.6151 -17.8954 -37.8597 12.0991 -40.4771 66.7191 TIMING: 2134600 CPU: 6434.96, 0.00301932/step Wall: 6434.96, 0.00301932/step, 2.40321 hours remaining, 208.488281 MB of memory in use. ENERGY: 2134600 771.2675 2127.1914 1952.4904 108.6329 -206513.1366 17980.2182 0.0000 0.0000 34113.2434 -149460.0928 297.9194 -183573.3363 -149360.4866 299.3336 -14.6884 18.0247 556924.6802 13.3446 13.3105 PRESSURE: 2134800 36.8126 -80.9677 174.136 -80.9668 127.001 -0.773885 174.136 -0.774303 228.6 GPRESSURE: 2134800 20.1826 -90.5477 54.0298 -81.9396 230.555 -12.841 207.23 -35.7317 232.363 PRESSAVG: 2134800 -56.5748 -19.2893 -43.226 -19.2893 -8.3889 -2.96452 -43.226 -2.96457 78.2719 GPRESSAVG: 2134800 -56.4409 -19.2773 -43.6289 -20.2165 -8.56476 -1.91046 -41.8843 -3.82932 77.9688 TIMING: 2134800 CPU: 6435.56, 0.0029954/step Wall: 6435.56, 0.0029954/step, 2.38401 hours remaining, 208.488281 MB of memory in use. ENERGY: 2134800 732.1870 2064.9449 1927.7201 103.7379 -206553.0944 18032.2063 0.0000 0.0000 34177.3935 -149514.9047 298.4797 -183692.2982 -149415.7450 298.8316 130.8044 161.0334 556394.7719 4.4361 4.3211 PRESSURE: 2135000 -100.573 -29.8303 36.842 -29.8317 -325.883 -282.019 36.8427 -282.018 -45.5695 GPRESSURE: 2135000 -87.0057 2.73431 49.9686 -68.2004 -242.936 -232.062 91.7634 -261.116 -49.7422 PRESSAVG: 2135000 -49.0889 -79.6928 -15.6785 -79.6928 34.3257 28.8106 -15.6785 28.8106 30.5411 GPRESSAVG: 2135000 -49.3618 -78.9976 -15.061 -80.5673 34.4825 24.9183 -14.8389 33.9701 30.5499 TIMING: 2135000 CPU: 6436.16, 0.00300624/step Wall: 6436.16, 0.00300624/step, 2.39247 hours remaining, 208.488281 MB of memory in use. ENERGY: 2135000 772.4331 2059.0201 1908.1262 123.5557 -206002.3772 17516.2881 0.0000 0.0000 34063.2546 -149559.6995 297.4829 -183622.9541 -149467.4061 298.7141 -157.3418 -126.5612 558043.4638 5.2593 5.2235 PRESSURE: 2135200 -330.119 -0.90644 -90.8919 -0.905907 46.7671 5.44254 -90.8927 5.44341 172.912 GPRESSURE: 2135200 -273.615 -96.4967 -134.106 -14.5739 113.466 -16.9355 -44.1618 -1.79387 145.713 PRESSAVG: 2135200 -9.69298 -57.8779 -58.2884 -57.8779 -2.84786 -4.85392 -58.2885 -4.854 3.46566 GPRESSAVG: 2135200 -9.55369 -58.2916 -58.5378 -58.3724 -3.44154 -4.2161 -56.604 -7.85133 3.6159 TIMING: 2135200 CPU: 6436.77, 0.00301068/step Wall: 6436.77, 0.00301068/step, 2.39583 hours remaining, 208.488281 MB of memory in use. ENERGY: 2135200 725.4731 2092.5626 1928.6187 112.0503 -206456.9083 17851.4303 0.0000 0.0000 34192.4449 -149554.3284 298.6111 -183746.7733 -149460.7863 298.4086 -36.8133 -4.8121 555539.2829 -3.0251 -3.1264 PRESSURE: 2135400 -27.4853 -152.23 96.2309 -152.23 284.756 -44.1045 96.2299 -44.1054 123.992 GPRESSURE: 2135400 -55.473 -112.603 158.187 -107.2 314.555 18.0557 126.957 -73.0682 207.792 PRESSAVG: 2135400 9.9199 -6.09948 3.36475 -6.09952 13.0646 18.8004 3.36475 18.8004 -14.4301 GPRESSAVG: 2135400 9.24051 -4.56549 3.40155 -5.32431 13.4994 18.8853 1.5582 18.8463 -14.4422 TIMING: 2135400 CPU: 6437.37, 0.00302956/step Wall: 6437.37, 0.00302956/step, 2.41069 hours remaining, 208.488281 MB of memory in use. ENERGY: 2135400 746.4694 2077.3955 1893.2688 105.5779 -206552.1095 17886.8007 0.0000 0.0000 34373.8683 -149468.7289 300.1955 -183842.5972 -149367.8520 298.4456 127.0876 155.6248 556745.2368 2.8515 2.7659 PRESSURE: 2135600 -391.723 -44.5951 75.2564 -44.5952 -10.776 111.578 75.2579 111.577 -203.171 GPRESSURE: 2135600 -345.593 -84.3349 32.9116 -72.3344 7.07112 89.1546 96.823 115.165 -168.019 PRESSAVG: 2135600 -43.2057 10.5754 64.3908 10.5754 48.5116 -2.30129 64.3908 -2.30137 32.1214 GPRESSAVG: 2135600 -42.3647 9.94871 63.5154 10.5893 48.4814 -1.35674 65.6936 -2.74008 31.6373 TIMING: 2135600 CPU: 6437.97, 0.00300487/step Wall: 6437.97, 0.00300487/step, 2.39087 hours remaining, 208.488281 MB of memory in use. ENERGY: 2135600 787.8022 2113.1299 1932.1268 104.1657 -206355.5287 17831.4085 0.0000 0.0000 34068.9486 -149517.9471 297.5326 -183586.8957 -149421.1362 298.9567 -201.8899 -168.8469 558063.3755 12.4757 12.5847 PRESSURE: 2135800 -261.913 72.0054 -24.1692 72.0061 9.96039 -36.4645 -24.169 -36.4664 -192.741 GPRESSURE: 2135800 -167.477 76.4229 48.6024 -2.22616 32.6415 -143.046 -80.7584 8.39257 -205.272 PRESSAVG: 2135800 -98.9323 -34.486 -18.8455 -34.4859 74.9958 -8.45291 -18.8455 -8.45293 -1.77788 GPRESSAVG: 2135800 -99.0641 -32.7132 -17.7498 -37.0033 74.8079 -11.9962 -20.2247 -7.71057 -0.972225 TIMING: 2135800 CPU: 6438.57, 0.00298549/step Wall: 6438.57, 0.0029855/step, 2.37529 hours remaining, 208.488281 MB of memory in use. ENERGY: 2135800 735.4195 2085.9530 1945.3088 101.8792 -205964.8448 17493.0681 0.0000 0.0000 34024.4884 -149578.7278 297.1443 -183603.2162 -149484.8914 298.3861 -148.2312 -113.3693 556797.4684 -8.5715 -8.4095 PRESSURE: 2136000 225.644 -125.023 -6.31355 -125.023 -46.61 -78.1027 -6.31339 -78.1038 127.899 GPRESSURE: 2136000 316.915 -57.4313 -49.48 -138.689 -45.3486 -92.8807 75.9837 -54.6886 126.422 PRESSAVG: 2136000 -36.0219 3.42849 -56.35 3.42855 -1.86647 -33.3178 -56.35 -33.3178 60.8298 GPRESSAVG: 2136000 -37.3574 -0.175022 -55.0597 5.99219 -2.65835 -29.469 -54.5245 -33.7832 62.7514 TIMING: 2136000 CPU: 6439.17, 0.00299656/step Wall: 6439.17, 0.00299656/step, 2.38393 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: 2136000 739.1995 2057.4131 1948.0276 110.2281 -206399.9589 17900.9210 0.0000 0.0000 34047.8918 -149596.2778 297.3487 -183644.1696 -149493.3113 298.3526 102.3108 132.6626 556246.8825 7.6471 7.5785 PRESSURE: 2136200 -339.4 38.4807 165.857 38.4792 -264.666 53.703 165.857 53.703 -225.047 GPRESSURE: 2136200 -258.807 16.1642 159.985 35.668 -230.529 -18.0025 122.993 125.942 -237.567 PRESSAVG: 2136200 -10.5957 5.58539 6.18448 5.58543 -17.0551 -9.50923 6.18449 -9.50913 57.5858 GPRESSAVG: 2136200 -10.8303 5.18742 5.59971 6.23467 -15.6944 -10.9959 5.58918 -10.1615 56.2735 TIMING: 2136200 CPU: 6439.77, 0.00299885/step Wall: 6439.77, 0.00299885/step, 2.38559 hours remaining, 208.488281 MB of memory in use. ENERGY: 2136200 763.0831 2094.0098 1935.8710 95.4131 -205980.1939 17320.8226 0.0000 0.0000 34310.5045 -149460.4898 299.6422 -183770.9942 -149363.2144 299.2272 -276.3708 -242.3007 555779.1591 9.9784 9.9163 LDB: ============= START OF LOAD BALANCING ============== 6443.29 LDB: ============== END OF LOAD BALANCING =============== 6443.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6443.29 LDB: ============= START OF LOAD BALANCING ============== 6443.59 LDB: Largest compute 4801 load 0.028836 is 24.4% of average load 0.118076 LDB: Average compute 0.001738 is 1.5% of average load 0.118076 LDB: TIME 6443.59 LOAD: AVG 0.118076 MAX 0.207132 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.602 MB LDB: TIME 6443.59 LOAD: AVG 0.118076 MAX 0.207132 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.602 MB LDB: TIME 6443.59 LOAD: AVG 0.118076 MAX 0.207132 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.602 MB LDB: ============== END OF LOAD BALANCING =============== 6443.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6443.6 PRESSURE: 2136400 14.175 89.1279 -18.7075 89.1289 -263.905 -5.22822 -18.7078 -5.22806 279.575 GPRESSURE: 2136400 31.4386 45.1165 -29.6634 107.185 -212.306 109.267 19.363 -67.4219 299.314 PRESSAVG: 2136400 -37.7866 67.438 0.203131 67.438 -0.836522 -7.69158 0.203094 -7.6916 59.5184 GPRESSAVG: 2136400 -36.0501 69.5749 -0.470127 65.9011 -1.75153 -4.9961 0.726139 -6.6808 58.9836 TIMING: 2136400 CPU: 6440.38, 0.0030618/step Wall: 6440.38, 0.0030618/step, 2.43549 hours remaining, 210.539062 MB of memory in use. ENERGY: 2136400 787.5731 2139.5596 1942.2964 116.7789 -206608.9098 17934.8395 0.0000 0.0000 34179.1117 -149508.7507 298.4947 -183687.8624 -149410.9375 298.7443 9.9485 39.4822 556010.2593 6.9651 7.0607 PRESSURE: 2136600 -35.1103 -11.6875 -100.718 -11.6872 -119.238 -6.76644 -100.718 -6.76847 72.9752 GPRESSURE: 2136600 -40.5688 83.9629 -76.3847 -74.4091 -67.9434 21.1006 -46.8536 40.1571 117.746 PRESSAVG: 2136600 -15.1592 42.0762 34.2836 42.0761 -39.7382 23.7054 34.2836 23.7054 42.7836 GPRESSAVG: 2136600 -16.2179 42.5257 35.4663 41.5841 -39.1551 21.9515 34.3101 24.1693 43.5272 TIMING: 2136600 CPU: 6440.98, 0.00300061/step Wall: 6440.98, 0.00300061/step, 2.38666 hours remaining, 210.609375 MB of memory in use. ENERGY: 2136600 751.1294 2062.4664 1937.0328 107.8750 -206444.2007 17906.7239 0.0000 0.0000 34252.1643 -149426.8089 299.1327 -183678.9732 -149329.2747 299.0560 -27.1243 3.0778 558373.4243 -4.0379 -3.9486 PRESSURE: 2136800 -85.1057 82.1125 213.101 82.1125 142.215 47.6803 213.1 47.6806 -226.613 GPRESSURE: 2136800 43.7109 36.785 257.147 111.005 96.4803 52.7191 162.098 5.79262 -206.142 PRESSAVG: 2136800 44.4621 46.5221 19.915 46.522 13.2896 3.32015 19.9149 3.32001 -25.2206 GPRESSAVG: 2136800 44.8721 43.722 20.244 46.9068 13.0492 3.75208 20.3675 3.49513 -24.9717 TIMING: 2136800 CPU: 6441.58, 0.00298971/step Wall: 6441.58, 0.00298971/step, 2.37782 hours remaining, 210.609375 MB of memory in use. ENERGY: 2136800 731.9278 2105.1650 1932.3077 106.1164 -206100.0790 17700.2484 0.0000 0.0000 34279.7627 -149244.5511 299.3737 -183524.3138 -149145.2134 299.1195 -56.5010 -21.9838 558941.6241 10.8437 10.9832 PRESSURE: 2137000 -212.47 8.19626 12.436 8.19647 145.176 46.6686 12.4362 46.6685 -175.062 GPRESSURE: 2137000 -210.3 -28.8904 138.675 75.3655 203.655 180.883 -24.0601 -4.06999 -143.198 PRESSAVG: 2137000 -30.8438 18.98 -12.4651 18.98 53.9646 6.29731 -12.4651 6.29736 -21.2633 GPRESSAVG: 2137000 -31.5572 19.7217 -12.8744 20.0273 54.4455 4.51936 -13.727 6.51808 -21.2337 TIMING: 2137000 CPU: 6442.18, 0.00300812/step Wall: 6442.18, 0.00300812/step, 2.39229 hours remaining, 210.609375 MB of memory in use. ENERGY: 2137000 787.7626 2039.0802 1939.9674 110.8848 -206233.2802 17656.8671 0.0000 0.0000 34469.5536 -149229.1645 301.0312 -183698.7181 -149126.8826 299.3660 -80.7854 -49.9475 557223.5132 0.6192 0.5515 PRESSURE: 2137200 -85.7221 -28.8614 -25.8023 -28.8612 71.6522 196.891 -25.8031 196.892 21.9851 GPRESSURE: 2137200 -0.260853 -39.0677 -161.093 -41.0797 56.3529 179.439 -15.6605 303.652 46.5112 PRESSAVG: 2137200 57.2903 8.04656 12.4385 8.04658 52.0652 7.1859 12.4384 7.18583 -91.2966 GPRESSAVG: 2137200 58.4334 7.75341 10.5273 8.93525 51.2959 7.07327 13.2438 6.74813 -91.9617 TIMING: 2137200 CPU: 6442.78, 0.0029941/step Wall: 6442.78, 0.0029941/step, 2.38098 hours remaining, 210.609375 MB of memory in use. ENERGY: 2137200 767.4651 2095.3769 1919.0064 113.9847 -206319.9907 17886.9339 0.0000 0.0000 34265.0233 -149272.2004 299.2450 -183537.2238 -149173.0101 299.6207 2.6384 34.2011 558291.6657 6.0196 5.9225 PRESSURE: 2137400 -193.253 -56.6633 104.72 -56.6622 -43.5854 72.9961 104.72 72.9962 71.9864 GPRESSURE: 2137400 -158.23 41.9867 18.6312 -81.7892 -27.9037 56.3329 185.985 95.5406 115.123 PRESSAVG: 2137400 -17.2796 -10.6677 -9.65402 -10.6678 42.3573 -18.1124 -9.65404 -18.1124 -39.4704 GPRESSAVG: 2137400 -18.3714 -8.42396 -9.03709 -12.8163 42.6432 -18.9103 -8.27216 -18.0248 -38.5277 TIMING: 2137400 CPU: 6443.38, 0.00300445/step Wall: 6443.38, 0.00300445/step, 2.38904 hours remaining, 210.609375 MB of memory in use. ENERGY: 2137400 798.5798 2125.1934 1927.7465 101.9388 -206405.2945 18071.4517 0.0000 0.0000 33989.7428 -149390.6415 296.8409 -183380.3843 -149299.1847 299.0793 -54.9507 -23.6701 557899.3467 -4.7975 -4.7520 PRESSURE: 2137600 -137.97 127.062 88.6242 127.062 196.335 167.946 88.6244 167.948 88.6161 GPRESSURE: 2137600 -92.5835 101.468 87.9606 99.0926 227.523 148.898 83.6788 139.871 118.93 PRESSAVG: 2137600 -5.84089 -8.56599 -25.6049 -8.56596 61.719 -11.3997 -25.605 -11.3997 -25.8972 GPRESSAVG: 2137600 -4.8482 -10.9014 -26.6404 -7.22485 61.6678 -11.6233 -25.2441 -10.0204 -26.78 TIMING: 2137600 CPU: 6443.98, 0.00298108/step Wall: 6443.98, 0.00298108/step, 2.37029 hours remaining, 210.609375 MB of memory in use. ENERGY: 2137600 772.1807 2062.7329 1897.4334 118.3678 -206641.6716 18006.9819 0.0000 0.0000 34356.9563 -149427.0185 300.0478 -183783.9748 -149333.0674 299.2204 48.9937 84.6232 556956.0722 9.9936 10.0132 PRESSURE: 2137800 79.3417 -44.2421 -168.37 -44.2414 175.996 -55.2432 -168.37 -55.2417 115.18 GPRESSURE: 2137800 95.0389 42.6674 -116.947 -25.6471 253.255 87.0983 -250.561 -125.051 123.654 PRESSAVG: 2137800 -22.4996 9.37235 -34.993 9.37235 -26.5335 -29.5705 -34.993 -29.5705 7.1951 GPRESSAVG: 2137800 -21.2818 11.1459 -33.7212 9.32987 -27.8679 -28.4051 -37.7744 -31.7872 7.02722 TIMING: 2137800 CPU: 6444.58, 0.00300993/step Wall: 6444.58, 0.00300993/step, 2.39306 hours remaining, 210.609375 MB of memory in use. ENERGY: 2137800 749.3766 2089.8809 1923.3821 107.2456 -206396.3141 18040.2076 0.0000 0.0000 34003.2680 -149482.9533 296.9590 -183486.2213 -149388.6333 298.8345 123.5057 157.3158 557396.2524 -13.9460 -14.0408 PRESSURE: 2138000 18.47 225.48 -125.898 225.481 -53.2998 6.44157 -125.897 6.44079 54.9888 GPRESSURE: 2138000 8.2525 174.693 -89.5065 298.48 25.9967 55.6822 -129 -33.7604 83.7354 PRESSAVG: 2138000 -36.0251 22.7605 11.2761 22.7607 -8.7247 26.9875 11.2762 26.9875 25.2658 GPRESSAVG: 2138000 -36.2669 22.3343 13.2904 22.3561 -7.25483 28.416 12.992 25.6978 24.2152 TIMING: 2138000 CPU: 6445.18, 0.00298527/step Wall: 6445.18, 0.00298527/step, 2.37329 hours remaining, 210.609375 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: 2138000 745.1466 2094.1443 1927.8557 106.6228 -206326.8851 17972.2933 0.0000 0.0000 34278.2235 -149202.5989 299.3603 -183480.8224 -149099.4947 298.5741 6.7196 39.3282 557888.0657 -6.4947 -6.4355 PRESSURE: 2138200 -23.559 145.706 24.8583 145.707 -115.382 34.4263 24.8581 34.426 -9.70898 GPRESSURE: 2138200 -5.23885 195.068 72.5825 94.2909 -106.408 -9.99327 14.4324 95.5969 67.0239 PRESSAVG: 2138200 11.0959 18.3576 -41.7153 18.3576 -44.4446 -10.0679 -41.7155 -10.068 56.8332 GPRESSAVG: 2138200 10.0041 19.1862 -45.1634 15.9793 -44.6002 -12.1759 -41.7857 -9.17257 58.1054 TIMING: 2138200 CPU: 6445.77, 0.00297491/step Wall: 6445.77, 0.00297491/step, 2.36488 hours remaining, 210.609375 MB of memory in use. ENERGY: 2138200 781.0531 2099.6855 1927.8251 100.8821 -206444.0855 17843.1034 0.0000 0.0000 34251.9814 -149439.5550 299.1311 -183691.5363 -149346.1394 299.2190 -49.5501 -14.8744 557769.9013 7.8282 7.8364 PRESSURE: 2138400 -17.2356 63.1205 -3.71201 63.1187 -91.3276 -39.0287 -3.71248 -39.0283 -188.352 GPRESSURE: 2138400 31.2478 -12.9733 -26.9579 26.6458 -121.926 -96.2548 -48.9286 -16.429 -124.156 PRESSAVG: 2138400 -24.4 45.8135 16.9797 45.8135 -7.41154 -46.0216 16.9797 -46.0217 6.65974 GPRESSAVG: 2138400 -23.3296 44.677 17.2362 46.6278 -6.72495 -46.7311 16.8402 -44.639 4.94909 TIMING: 2138400 CPU: 6446.37, 0.00300561/step Wall: 6446.37, 0.00300561/step, 2.38912 hours remaining, 210.812500 MB of memory in use. ENERGY: 2138400 725.9109 2048.5970 1905.5142 123.4922 -206477.5236 17882.7657 0.0000 0.0000 34284.1243 -149507.1193 299.4118 -183791.2436 -149409.1266 299.1628 -98.9716 -71.6116 557672.8671 -8.3839 -8.3685 PRESSURE: 2138600 -212.431 154.896 27.8049 154.896 18.6198 19.8753 27.8063 19.8753 -105.702 GPRESSURE: 2138600 -209.461 50.1948 11.6832 130.754 69.9407 113.346 34.2295 -15.9232 -74.8818 PRESSAVG: 2138600 2.27899 1.64701 -11.6404 1.64702 -8.02873 48.4599 -11.6404 48.4599 9.8392 GPRESSAVG: 2138600 1.19138 0.230576 -11.5773 2.53444 -7.53926 49.5179 -12.1102 48.6574 10.8092 TIMING: 2138600 CPU: 6446.96, 0.00296861/step Wall: 6446.96, 0.00296861/step, 2.35955 hours remaining, 210.812500 MB of memory in use. ENERGY: 2138600 780.5158 2105.7159 1908.2309 104.7601 -206383.2684 17964.9829 0.0000 0.0000 34168.7589 -149350.3039 298.4043 -183519.0629 -149252.8413 298.7375 -99.8379 -71.4674 558663.1200 1.3632 1.4871 PRESSURE: 2138800 8.78434 -5.22977 139.749 -5.22895 -43.3318 28.3849 139.75 28.3847 198.087 GPRESSURE: 2138800 4.02113 -43.0728 302.661 22.7201 30.7495 36.7087 60.3313 22.4804 224.443 PRESSAVG: 2138800 -40.3974 26.8094 3.8832 26.8093 38.7412 -3.03629 3.8833 -3.03629 -0.797284 GPRESSAVG: 2138800 -40.116 26.3496 5.26881 27.1386 38.3432 -3.02501 3.21818 -4.11332 -0.65006 TIMING: 2138800 CPU: 6447.56, 0.00296595/step Wall: 6447.56, 0.00296595/step, 2.35727 hours remaining, 210.812500 MB of memory in use. ENERGY: 2138800 777.0160 2111.5675 1921.1387 118.4653 -206480.6938 18047.4122 0.0000 0.0000 34344.9239 -149160.1702 299.9428 -183505.0940 -149063.1702 299.5747 54.5131 86.4047 557974.6016 -0.8178 -0.8076 PRESSURE: 2139000 245.51 -26.592 -67.328 -26.5915 19.1701 -101.307 -67.3273 -101.307 177.318 GPRESSURE: 2139000 209.419 -63.2997 -44.4875 -25.9216 128.99 -213.537 -103.079 -136.719 204.865 PRESSAVG: 2139000 -45.5788 -25.2768 2.18336 -25.2768 24.5951 29.5944 2.18341 29.5943 28.7175 GPRESSAVG: 2139000 -45.4833 -24.845 3.36217 -24.7424 24.6854 30.5063 3.17674 29.2614 28.6655 TIMING: 2139000 CPU: 6448.15, 0.0029731/step Wall: 6448.15, 0.0029731/step, 2.36279 hours remaining, 210.812500 MB of memory in use. ENERGY: 2139000 736.9957 2100.7743 1917.4496 112.7882 -206224.8887 17858.5241 0.0000 0.0000 34250.1211 -149248.2358 299.1148 -183498.3569 -149150.1677 299.2996 147.3327 181.0913 556623.5509 2.5779 2.6225 PRESSURE: 2139200 6.85195 141.597 -112.363 141.596 -165.49 89.4253 -112.361 89.4253 -419.632 GPRESSURE: 2139200 18.3252 124.485 -132.853 44.429 -146.106 138.332 -66.8777 93.8691 -353.26 PRESSAVG: 2139200 -8.45532 33.0961 -32.1788 33.096 10.3361 -23.2266 -32.1788 -23.2266 -18.6588 GPRESSAVG: 2139200 -7.85408 34.8058 -36.5746 31.3971 10.5737 -23.7982 -31.4707 -24.4603 -19.6007 TIMING: 2139200 CPU: 6448.75, 0.00299145/step Wall: 6448.75, 0.00299145/step, 2.3772 hours remaining, 210.812500 MB of memory in use. ENERGY: 2139200 771.8835 2075.1830 1953.9919 114.3875 -205732.6405 17467.1095 0.0000 0.0000 34359.6131 -148990.4721 300.0710 -183350.0852 -148898.9826 299.2950 -192.7565 -160.3469 559133.2988 -5.5927 -5.6270 PRESSURE: 2139400 36.5138 -21.4312 34.3645 -21.4314 -83.6692 -84.3115 34.3643 -84.3127 -142.019 GPRESSURE: 2139400 77.0666 -53.0988 94.6595 26.7646 -58.6831 -85.0098 -14.4431 -33.3894 -104.356 PRESSAVG: 2139400 38.8709 -27.7283 7.70761 -27.7283 -45.5033 30.3175 7.70768 30.3175 1.42376 GPRESSAVG: 2139400 37.7662 -29.0654 9.92143 -27.7976 -45.7716 31.7359 5.34464 30.2923 3.06857 TIMING: 2139400 CPU: 6449.35, 0.00298336/step Wall: 6449.35, 0.00298336/step, 2.37061 hours remaining, 210.812500 MB of memory in use. ENERGY: 2139400 750.6622 2131.3640 1940.5833 116.4998 -205939.6503 17822.8962 0.0000 0.0000 34109.2984 -149068.3464 297.8850 -183177.6448 -148972.5449 299.2487 -63.0583 -28.6575 557704.2913 -1.7362 -1.6456 PRESSURE: 2139600 134.238 256.849 10.9002 256.849 -94.2994 97.2412 10.8995 97.2414 278.127 GPRESSURE: 2139600 202.302 212.078 -85.6683 191.955 -69.9637 152.135 31.3921 149.697 278.715 PRESSAVG: 2139600 -4.35764 15.8314 18.7068 15.8314 34.3818 30.6834 18.7068 30.6835 -1.5973 GPRESSAVG: 2139600 -4.25034 18.2698 19.9722 15.2331 34.4971 27.2384 18.4755 32.2756 -1.94848 TIMING: 2139600 CPU: 6449.95, 0.00299327/step Wall: 6449.95, 0.00299327/step, 2.37832 hours remaining, 210.812500 MB of memory in use. ENERGY: 2139600 759.3815 2111.1202 1938.5251 117.8380 -206832.6746 18078.9516 0.0000 0.0000 34630.8237 -149196.0344 302.4396 -183826.8581 -149101.7684 300.1677 106.0217 137.0176 555811.8807 9.4756 9.4328 PRESSURE: 2139800 -27.7021 -95.0606 -3.63189 -95.0612 29.9318 -182.082 -3.63128 -182.082 9.07112 GPRESSURE: 2139800 26.4237 -138.28 -76.699 -129.574 28.4169 -279.112 47.2194 -63.9482 58.1235 PRESSAVG: 2139800 31.3857 -0.228689 -20.6788 -0.228692 -69.9168 9.88185 -20.6788 9.88174 32.5272 GPRESSAVG: 2139800 31.6734 -2.26219 -21.769 0.390706 -69.7803 9.44778 -19.2474 9.57164 32.1688 TIMING: 2139800 CPU: 6450.55, 0.00303275/step Wall: 6450.55, 0.00303275/step, 2.40952 hours remaining, 210.812500 MB of memory in use. ENERGY: 2139800 746.1772 2165.6808 1942.2266 117.2673 -206236.4951 17829.1823 0.0000 0.0000 34086.5057 -149349.4553 297.6859 -183435.9610 -149256.3619 299.4262 3.7669 37.6547 557647.8823 -2.0013 -1.9794 PRESSURE: 2140000 171.953 60.995 -123.811 60.9945 -194.896 -48.9329 -123.811 -48.9328 -404.188 GPRESSURE: 2140000 204.245 77.781 -180.437 68.6403 -162.717 -66.8375 16.4173 -62.9502 -370.785 PRESSAVG: 2140000 20.4002 3.01295 -25.1901 3.01297 -11.4877 -29.6875 -25.1902 -29.6875 -11.0672 GPRESSAVG: 2140000 20.664 2.58399 -24.3677 2.55592 -11.763 -27.5669 -25.7854 -28.7199 -11.1029 TIMING: 2140000 CPU: 6451.16, 0.00301703/step Wall: 6451.16, 0.00301703/step, 2.39687 hours remaining, 210.812500 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: 2140000 715.7650 2116.2722 1919.9800 122.4074 -205471.4345 17322.5782 0.0000 0.0000 34156.6679 -149117.7637 298.2987 -183274.4316 -149022.8655 299.3021 -142.3771 -109.7522 557567.9867 -0.7182 -0.7340 PRESSURE: 2140200 -190.246 6.43084 -111.09 6.43132 100.865 78.5272 -111.089 78.5283 1.78774 GPRESSURE: 2140200 -163.899 -32.2485 -107.741 18.1499 121.691 104.816 -134.276 -60.6844 51.6326 PRESSAVG: 2140200 12.3452 37.7469 -19.0423 37.7469 -17.6602 -14.274 -19.0422 -14.2739 21.0087 GPRESSAVG: 2140200 11.9687 39.1374 -20.3897 39.4136 -17.6062 -14.3617 -19.1373 -16.65 21.2127 TIMING: 2140200 CPU: 6451.76, 0.00304239/step Wall: 6451.76, 0.00304239/step, 2.41684 hours remaining, 210.812500 MB of memory in use. ENERGY: 2140200 739.8737 2112.7369 1939.2433 118.8391 -206329.0106 17867.2267 0.0000 0.0000 34347.3527 -149203.7382 299.9640 -183551.0909 -149108.6786 299.3495 -29.1979 3.1415 558505.6113 5.2313 5.1917 LDB: ============= START OF LOAD BALANCING ============== 6455.29 LDB: ============== END OF LOAD BALANCING =============== 6455.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6455.29 LDB: ============= START OF LOAD BALANCING ============== 6455.59 LDB: Largest compute 4801 load 0.029559 is 25.0% of average load 0.118034 LDB: Average compute 0.001729 is 1.5% of average load 0.118034 LDB: TIME 6455.59 LOAD: AVG 0.118034 MAX 0.208239 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.707 MB LDB: TIME 6455.59 LOAD: AVG 0.118034 MAX 0.208239 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.91 MB LDB: TIME 6455.59 LOAD: AVG 0.118034 MAX 0.208239 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.91 MB LDB: ============== END OF LOAD BALANCING =============== 6455.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6455.6 PRESSURE: 2140400 -220.661 -74.6376 42.9948 -74.6372 -288.566 -25.2242 42.9941 -25.2265 -141.384 GPRESSURE: 2140400 -170.419 -66.7951 16.9172 -69.6099 -266.19 -16.9814 49.5269 -3.47154 -117.111 PRESSAVG: 2140400 -24.6538 19.7943 -10.5059 19.7943 -12.6714 34.1358 -10.506 34.1356 53.244 GPRESSAVG: 2140400 -24.422 18.2991 -10.6051 18.5854 -13.5137 35.1419 -10.337 36.0246 54.2234 TIMING: 2140400 CPU: 6452.38, 0.00309635/step Wall: 6452.38, 0.00309635/step, 2.45953 hours remaining, 209.511719 MB of memory in use. ENERGY: 2140400 724.1708 2058.8239 1923.9434 124.0062 -205772.6967 17496.9619 0.0000 0.0000 34210.4659 -149234.3246 298.7685 -183444.7905 -149137.9908 299.1602 -216.8702 -184.5735 559462.6976 5.3063 5.4292 PRESSURE: 2140600 -208.522 -38.4121 -52.4592 -38.412 -127.578 -13.6303 -52.4602 -13.6299 -203.241 GPRESSURE: 2140600 -199.031 59.3589 65.1901 -15.2838 -105.411 -58.9908 -86.589 -10.6542 -137.67 PRESSAVG: 2140600 -16.4267 -3.92659 57.0453 -3.92666 10.5703 -8.68593 57.0453 -8.68594 11.8315 GPRESSAVG: 2140600 -15.9944 -2.41231 58.4937 -3.78462 10.4015 -8.63253 55.8395 -7.83833 11.3554 TIMING: 2140600 CPU: 6452.99, 0.00301566/step Wall: 6452.99, 0.00301566/step, 2.39527 hours remaining, 209.714844 MB of memory in use. ENERGY: 2140600 739.1986 2044.0954 1921.6887 111.5725 -206071.2565 17810.8137 0.0000 0.0000 34033.1667 -149410.7208 297.2201 -183443.8874 -149317.1334 298.8101 -179.7806 -147.3708 558299.3151 1.9917 1.9208 PRESSURE: 2140800 -205.321 -383.758 -161.374 -383.759 -39.9494 111.81 -161.373 111.812 -172.169 GPRESSURE: 2140800 -143.923 -394.438 -160.974 -314.33 -25.1927 98.1035 -139.425 80.6122 -138.496 PRESSAVG: 2140800 -29.0548 -39.1279 8.86803 -39.1279 -18.6819 42.5081 8.86792 42.5082 33.4351 GPRESSAVG: 2140800 -28.4855 -40.7845 6.94739 -36.3008 -17.6947 39.7696 11.2254 43.8477 32.4058 TIMING: 2140800 CPU: 6453.59, 0.00300673/step Wall: 6453.59, 0.00300673/step, 2.38801 hours remaining, 209.714844 MB of memory in use. ENERGY: 2140800 753.0124 2058.8924 1930.4689 110.0570 -206078.4127 17694.4521 0.0000 0.0000 34115.8568 -149415.6731 297.9423 -183531.5299 -149312.6291 299.0105 -139.1465 -102.5371 558034.9960 -4.7672 -4.5915 PRESSURE: 2141000 126.603 51.9097 -46.6524 51.9076 -21.1176 -143.349 -46.6547 -143.349 159.853 GPRESSURE: 2141000 222.267 22.1386 -96.126 6.00238 -21.8765 -150.829 17.69 -92.877 162.197 PRESSAVG: 2141000 0.477551 -36.2441 -4.40898 -36.2442 -31.3878 53.5461 -4.40904 53.5461 41.1587 GPRESSAVG: 2141000 -0.199556 -34.5384 -4.60345 -39.4194 -32.0932 56.1139 -6.19609 50.7104 42.5674 TIMING: 2141000 CPU: 6454.19, 0.0030061/step Wall: 6454.19, 0.0030061/step, 2.38734 hours remaining, 209.714844 MB of memory in use. ENERGY: 2141000 749.7821 2078.3063 1939.8996 104.0850 -206413.1622 18072.5723 0.0000 0.0000 34199.4301 -149269.0869 298.6721 -183468.5170 -149167.9281 299.4205 88.4462 120.8624 557311.1923 3.4162 3.4249 PRESSURE: 2141200 412.948 -43.5253 134.084 -43.5252 201.558 -108.801 134.085 -108.801 313.287 GPRESSURE: 2141200 445.61 -26.7204 134.167 -2.82621 225.728 -179.145 149.883 -51.4701 354.164 PRESSAVG: 2141200 40.7909 2.96745 5.66768 2.96744 -34.8672 -34.8997 5.66772 -34.8997 -10.4659 GPRESSAVG: 2141200 40.4071 3.6314 6.53229 3.13006 -34.7476 -34.24 5.0755 -35.2622 -10.2753 TIMING: 2141200 CPU: 6454.79, 0.00298548/step Wall: 6454.79, 0.00298548/step, 2.3708 hours remaining, 209.714844 MB of memory in use. ENERGY: 2141200 800.2226 2015.7061 1955.0413 95.7471 -206475.1965 18166.5809 0.0000 0.0000 34307.2219 -149134.6765 299.6135 -183441.8984 -149033.9029 299.4533 309.2644 341.8341 555661.5761 -1.5141 -1.5386 PRESSURE: 2141400 -242.935 67.4683 -48.6078 67.4684 -5.34288 -47.4763 -48.6076 -47.4756 -192.161 GPRESSURE: 2141400 -160.361 64.2832 -26.9774 93.8154 -1.89972 -57.3405 23.4248 -93.7743 -181.768 PRESSAVG: 2141400 8.86266 16.0722 24.5656 16.0723 58.2806 -1.51931 24.5656 -1.51927 -37.303 GPRESSAVG: 2141400 10.3246 14.1446 24.3008 17.1239 58.4669 -2.15798 25.4337 -0.331767 -39.0816 TIMING: 2141400 CPU: 6455.39, 0.00301785/step Wall: 6455.39, 0.00301785/step, 2.39634 hours remaining, 209.714844 MB of memory in use. ENERGY: 2141400 740.9999 2107.8971 1948.6826 114.0929 -205756.3997 17487.4641 0.0000 0.0000 34279.1222 -149078.1409 299.3681 -183357.2631 -148987.6056 298.9689 -146.8130 -114.6764 557717.5371 9.9467 9.9033 PRESSURE: 2141600 89.3124 -35.7745 164.545 -35.774 -65.5619 -29.2682 164.545 -29.2678 -192.074 GPRESSURE: 2141600 71.96 -130.904 202.673 -7.87415 -12.6384 -110.048 188.589 25.6101 -127.939 PRESSAVG: 2141600 55.9452 19.0626 42.6097 19.0626 -25.9634 -37.5368 42.6096 -37.5367 -34.188 GPRESSAVG: 2141600 54.7231 20.8607 42.6501 16.7247 -25.354 -37.4303 42.4086 -35.5943 -33.7098 TIMING: 2141600 CPU: 6455.99, 0.00301698/step Wall: 6455.99, 0.00301698/step, 2.39548 hours remaining, 209.714844 MB of memory in use. ENERGY: 2141600 746.2217 2109.8066 1938.8639 112.3349 -206233.9214 17878.7695 0.0000 0.0000 34286.6551 -149161.2697 299.4339 -183447.9248 -149071.3716 299.4542 -56.1079 -22.8726 557501.6548 -1.4021 -1.4469 PRESSURE: 2141800 -262.712 -31.4646 -4.0175 -31.4648 -203.578 62.3098 -4.01757 62.3096 -51.2077 GPRESSURE: 2141800 -262.567 -2.43945 101.418 4.91562 -135.048 27.2549 -124.58 91.2366 -31.4047 PRESSAVG: 2141800 7.074 -58.1759 -5.15598 -58.1758 18.6677 -20.2919 -5.15583 -20.292 -20.0439 GPRESSAVG: 2141800 8.3523 -58.5164 -5.11906 -57.2383 18.0162 -22.3908 -3.93206 -22.532 -20.4322 TIMING: 2141800 CPU: 6456.6, 0.00300871/step Wall: 6456.6, 0.00300871/step, 2.38875 hours remaining, 209.714844 MB of memory in use. ENERGY: 2141800 768.7972 2137.9561 1942.0363 108.9942 -206059.2403 17617.1856 0.0000 0.0000 34420.7108 -149063.5601 300.6046 -183484.2710 -148966.8374 299.8473 -172.4994 -143.0064 558433.4542 1.8992 1.9788 PRESSURE: 2142000 -66.5542 -70.6136 -133.409 -70.6136 -151.207 57.7851 -133.411 57.7845 -140.274 GPRESSURE: 2142000 -47.3709 -106.737 -104.072 -120.653 -157.128 28.2688 -24.781 80.0459 -57.7644 PRESSAVG: 2142000 -33.3922 -5.20791 30.0074 -5.208 32.7191 1.1911 30.0073 1.19105 -41.9568 GPRESSAVG: 2142000 -34.2349 -4.68006 30.7215 -4.80023 31.9634 2.73008 28.2169 2.44772 -40.5651 TIMING: 2142000 CPU: 6457.2, 0.00301648/step Wall: 6457.2, 0.00301648/step, 2.39475 hours remaining, 209.714844 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: 2142000 779.0749 2133.9196 1923.3782 121.3155 -205936.5557 17629.3550 0.0000 0.0000 34514.0508 -148835.4617 301.4198 -183349.5125 -148746.3545 300.2386 -119.3452 -87.4210 558510.0050 -14.2100 -14.2789 PRESSURE: 2142200 78.5948 -5.56141 -62.2666 -5.56088 -20.6465 -65.3695 -62.2668 -65.3692 21.6375 GPRESSURE: 2142200 101.29 68.4479 -17.794 -50.3629 -26.2997 -67.4284 -42.1624 -78.413 92.0965 PRESSAVG: 2142200 49.982 -21.2613 63.5441 -21.2612 -31.629 -62.2079 63.544 -62.2078 18.3923 GPRESSAVG: 2142200 50.5748 -20.6859 63.9307 -21.7074 -31.9674 -61.5936 65.4843 -61.9043 18.1318 TIMING: 2142200 CPU: 6457.8, 0.00302569/step Wall: 6457.8, 0.00302569/step, 2.40189 hours remaining, 209.714844 MB of memory in use. ENERGY: 2142200 781.7151 2096.1835 1941.9859 101.3733 -206133.5890 17859.4487 0.0000 0.0000 34471.2356 -148881.6469 301.0459 -183352.8825 -148784.3447 300.8870 26.5286 55.6957 557341.4648 12.2485 12.2464 PRESSURE: 2142400 -99.7107 107.661 21.9973 107.659 -346.499 -31.0635 21.9972 -31.0624 -90.8081 GPRESSURE: 2142400 -107.035 98.9339 88.3458 27.612 -259.199 -28.6309 -77.291 33.7068 -71.3576 PRESSAVG: 2142400 61.4406 4.7137 -12.3542 4.71373 -27.0435 22.3293 -12.3543 22.3295 -5.125 GPRESSAVG: 2142400 60.7657 2.72149 -15.7436 5.45831 -25.7989 24.6321 -14.2208 20.7059 -6.1867 TIMING: 2142400 CPU: 6458.41, 0.00304457/step Wall: 6458.41, 0.00304457/step, 2.41671 hours remaining, 209.714844 MB of memory in use. ENERGY: 2142400 727.5316 2033.2092 1935.1306 116.9871 -205631.3742 17362.0285 0.0000 0.0000 34421.6493 -149034.8379 300.6128 -183456.4872 -148939.6843 300.9460 -179.0058 -145.8640 557219.6119 9.7574 9.5933 PRESSURE: 2142600 31.2246 -47.4316 -168.309 -47.4319 -64.7913 -119.898 -168.309 -119.898 52.9487 GPRESSURE: 2142600 78.8617 1.04125 -198.398 -9.92034 -92.7333 -78.6614 -119.062 -176.905 126.328 PRESSAVG: 2142600 64.1006 5.47752 -12.5725 5.47753 -1.29733 -27.9079 -12.5724 -27.9079 -12.337 GPRESSAVG: 2142600 65.1146 6.69224 -13.0768 4.53415 -1.24453 -29.5413 -10.0255 -28.3653 -13.043 TIMING: 2142600 CPU: 6459.02, 0.00304999/step Wall: 6459.02, 0.00304999/step, 2.42085 hours remaining, 209.714844 MB of memory in use. ENERGY: 2142600 739.3702 2083.8690 1930.1717 101.7605 -206288.1384 17842.4061 0.0000 0.0000 34258.6604 -149331.9005 299.1894 -183590.5608 -149236.6216 299.9086 6.4607 37.4853 556821.1421 16.8221 16.9424 PRESSURE: 2142800 -6.90294 146.341 -41.4181 146.341 190.013 -76.3486 -41.4179 -76.3495 -242.175 GPRESSURE: 2142800 88.2827 145.495 -38.0953 147.539 137.678 -57.4591 -16.7598 -34.5339 -179.716 PRESSAVG: 2142800 33.1236 63.612 -31.8256 63.612 8.4617 -13.8277 -31.8257 -13.8278 -55.4742 GPRESSAVG: 2142800 32.6987 63.106 -28.0505 63.8587 6.44523 -14.1425 -34.7644 -13.2754 -53.4109 TIMING: 2142800 CPU: 6459.63, 0.00301673/step Wall: 6459.63, 0.00301673/step, 2.39428 hours remaining, 209.714844 MB of memory in use. ENERGY: 2142800 751.6433 2052.6735 1930.4545 124.6880 -206189.6660 17658.9988 0.0000 0.0000 34201.7154 -149469.4923 298.6921 -183671.2077 -149369.2467 299.1266 -19.6883 15.4148 555764.0810 -4.6296 -4.7557 PRESSURE: 2143000 -201.036 3.65442 -193.734 3.65379 300.436 -92.295 -193.735 -92.2956 8.51337 GPRESSURE: 2143000 -163.147 -38.7705 -168.598 13.1204 270.417 -58.1715 -190.426 -137.352 111.912 PRESSAVG: 2143000 -12.4116 14.6347 -63.9388 14.6346 55.5742 -0.595959 -63.9387 -0.595988 5.45194 GPRESSAVG: 2143000 -11.5025 15.8317 -65.503 14.2675 56.039 1.49499 -62.4931 0.24524 3.8735 TIMING: 2143000 CPU: 6460.23, 0.00301701/step Wall: 6460.23, 0.00301701/step, 2.39433 hours remaining, 209.714844 MB of memory in use. ENERGY: 2143000 733.1615 2077.5248 1900.7817 106.1381 -206358.6915 17907.7553 0.0000 0.0000 34206.1799 -149427.1501 298.7311 -183633.3300 -149329.4339 299.1002 35.9712 73.0608 556644.5819 16.2048 16.1367 PRESSURE: 2143200 -171.974 -105.762 -137.909 -105.761 91.9567 -104.766 -137.91 -104.767 97.1118 GPRESSURE: 2143200 -151.995 -57.4115 -65.5604 -68.606 167.142 -160.713 -186.509 -84.2003 92.0058 PRESSAVG: 2143200 -51.1948 14.0322 -32.3584 14.0322 71.5209 -6.69895 -32.3583 -6.69899 -76.505 GPRESSAVG: 2143200 -53.0955 14.9411 -31.7944 14.4579 72.6471 -7.50962 -31.7327 -8.4434 -76.0948 TIMING: 2143200 CPU: 6460.83, 0.00301865/step Wall: 6460.83, 0.00301865/step, 2.39547 hours remaining, 209.714844 MB of memory in use. ENERGY: 2143200 745.1082 2065.5073 1892.3094 116.1353 -206536.1890 17889.5402 0.0000 0.0000 34290.3503 -149537.2383 299.4662 -183827.5886 -149433.5872 299.3006 5.6981 35.7177 558637.4582 -18.7263 -18.8477 PRESSURE: 2143400 -396.503 142.224 -381.263 142.224 -234.757 -9.3226 -381.263 -9.32401 -305.734 GPRESSURE: 2143400 -347.627 148.73 -307.07 62.1926 -198.093 -45.526 -328.246 -13.7019 -292.916 PRESSAVG: 2143400 -32.2298 64.0473 -19.0996 64.0473 90.2978 -19.4699 -19.0996 -19.47 -7.44132 GPRESSAVG: 2143400 -31.8717 63.0315 -20.0282 63.669 89.6826 -21.35 -19.1183 -17.1816 -7.30261 TIMING: 2143400 CPU: 6461.43, 0.00299651/step Wall: 6461.43, 0.00299651/step, 2.37773 hours remaining, 209.917969 MB of memory in use. ENERGY: 2143400 749.2638 2107.9953 1932.7920 104.7966 -206262.2900 17385.5005 0.0000 0.0000 34337.8229 -149644.1189 299.8807 -183981.9418 -149542.5054 298.8704 -312.3315 -279.5452 556391.8748 16.8756 16.8361 PRESSURE: 2143600 155.731 107.221 -161.214 107.221 3.71947 20.8252 -161.215 20.8256 161.824 GPRESSURE: 2143600 153.336 137.651 10.0739 74.325 18.028 27.1872 -188.133 -40.6791 255.06 PRESSAVG: 2143600 -11.1705 41.3827 -35.576 41.3827 -22.2536 0.52429 -35.576 0.524414 35.3981 GPRESSAVG: 2143600 -12.1068 42.2377 -34.5567 40.4331 -22.4523 2.68137 -36.0671 0.523952 36.4324 TIMING: 2143600 CPU: 6462.03, 0.00298005/step Wall: 6462.03, 0.00298005/step, 2.3645 hours remaining, 209.917969 MB of memory in use. ENERGY: 2143600 746.9133 2102.2992 1943.6947 117.5925 -206769.1769 17969.2189 0.0000 0.0000 34266.0766 -149623.3818 299.2542 -183889.4584 -149520.8822 298.9992 107.0916 142.1414 556525.0047 0.6580 0.6244 PRESSURE: 2143800 135.749 61.5572 -160.401 61.5571 62.8224 -32.7554 -160.4 -32.7566 1.16056 GPRESSURE: 2143800 176.03 -28.0622 -131.513 38.9169 122.439 41.6802 -124.22 -90.7271 11.9485 PRESSAVG: 2143800 52.7492 21.5453 -55.1838 21.5453 -24.4524 15.7603 -55.1838 15.7605 -58.5933 GPRESSAVG: 2143800 53.1529 20.197 -57.6744 21.614 -22.8764 15.0362 -55.3185 13.9729 -60.5797 TIMING: 2143800 CPU: 6462.62, 0.00297826/step Wall: 6462.62, 0.00297826/step, 2.36292 hours remaining, 209.917969 MB of memory in use. ENERGY: 2143800 765.3484 2121.3254 1924.1117 114.8003 -206992.4464 18132.0774 0.0000 0.0000 34381.4332 -149553.3500 300.2616 -183934.7832 -149459.3190 298.1922 66.5773 103.4726 556716.0584 -10.0988 -10.1011 PRESSURE: 2144000 35.4188 -44.6152 -329.683 -44.6151 134.98 32.4674 -329.684 32.4678 -83.3541 GPRESSURE: 2144000 60.5968 -58.3896 -229.82 -59.7251 166.034 14.9759 -230.52 84.5183 -35.6015 PRESSAVG: 2144000 31.0695 59.2392 -43.8395 59.2392 2.08852 12.6446 -43.8395 12.6447 -41.4312 GPRESSAVG: 2144000 31.4186 57.93 -41.9041 62.6487 1.58521 13.2018 -42.7453 12.8826 -40.6403 TIMING: 2144000 CPU: 6463.22, 0.00300169/step Wall: 6463.22, 0.00300169/step, 2.38134 hours remaining, 209.917969 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: 2144000 755.3010 2085.6250 1905.2555 108.7748 -206625.1806 17847.8918 0.0000 0.0000 34053.6063 -149868.7262 297.3986 -183922.3325 -149771.2926 298.0065 29.0148 63.6764 556672.7676 -2.7577 -2.5455 PRESSURE: 2144200 -40.5246 -76.8382 -75.0124 -76.8377 -67.8043 -7.53702 -75.0117 -7.53709 168.085 GPRESSURE: 2144200 -49.9639 -8.28454 -47.5957 -159.128 -3.00196 -59.2701 -152.554 -2.86125 201.713 PRESSAVG: 2144200 -10.8066 5.9734 9.21723 5.97346 -17.2069 15.1542 9.21712 15.1543 18.9922 GPRESSAVG: 2144200 -11.1758 7.26138 9.76226 3.86277 -17.3518 13.6491 7.17772 16.3873 19.8452 TIMING: 2144200 CPU: 6463.82, 0.0029918/step Wall: 6463.82, 0.0029918/step, 2.37333 hours remaining, 209.917969 MB of memory in use. ENERGY: 2144200 763.8593 2075.3513 1925.5743 120.7424 -207136.5585 18105.2693 0.0000 0.0000 34188.6889 -149957.0730 298.5783 -184145.7619 -149865.9361 297.7350 19.9188 49.5822 556384.1855 -3.0071 -2.8942 LDB: ============= START OF LOAD BALANCING ============== 6467.34 LDB: ============== END OF LOAD BALANCING =============== 6467.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6467.34 LDB: ============= START OF LOAD BALANCING ============== 6467.64 LDB: Largest compute 4800 load 0.028855 is 24.4% of average load 0.118024 LDB: Average compute 0.001737 is 1.5% of average load 0.118024 LDB: TIME 6467.64 LOAD: AVG 0.118024 MAX 0.206953 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.688 MB LDB: TIME 6467.64 LOAD: AVG 0.118024 MAX 0.206953 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.891 MB LDB: TIME 6467.64 LOAD: AVG 0.118024 MAX 0.206953 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.891 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6467.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6467.65 PRESSURE: 2144400 128.123 -76.4282 -146.67 -76.4282 -67.7287 -55.6178 -146.67 -55.617 -74.4428 GPRESSURE: 2144400 190.001 -101.223 -95.157 -24.8909 -50.9686 -96.258 -187.164 47.1963 -53.2316 PRESSAVG: 2144400 53.0051 -34.4543 7.76011 -34.4543 -63.0702 -24.4462 7.76016 -24.4462 -0.145942 GPRESSAVG: 2144400 53.8744 -34.9255 6.58824 -33.6693 -63.3422 -24.1528 7.4142 -24.2565 -0.0251066 TIMING: 2144400 CPU: 6464.43, 0.00305092/step Wall: 6464.43, 0.00305092/step, 2.42006 hours remaining, 208.996094 MB of memory in use. ENERGY: 2144400 759.5816 2120.7035 1918.1479 130.2761 -206780.4835 17803.4300 0.0000 0.0000 34008.8326 -150039.5118 297.0076 -184048.3444 -149945.2736 297.5690 -4.6829 28.6002 556266.0003 -3.4037 -3.1643 PRESSURE: 2144600 -257.7 60.1632 64.4607 60.1646 -71.5713 -42.7537 64.4599 -42.7551 -387.078 GPRESSURE: 2144600 -188.863 167.911 80.4036 74.644 -77.9483 -60.5715 91.5415 -83.5087 -356.69 PRESSAVG: 2144600 -11.5795 -49.4268 -10.9276 -49.4269 -47.2243 13.1053 -10.9276 13.1053 54.8623 GPRESSAVG: 2144600 -11.6642 -50.0252 -10.6027 -50.3553 -45.1103 16.4781 -9.3374 10.3331 53.3613 TIMING: 2144600 CPU: 6465.03, 0.00300809/step Wall: 6465.03, 0.00300809/step, 2.38592 hours remaining, 209.199219 MB of memory in use. ENERGY: 2144600 786.5208 2066.1004 1937.8688 116.2751 -206559.3550 17608.5859 0.0000 0.0000 33951.8414 -150092.1625 296.5099 -184044.0039 -149995.9122 297.5814 -238.7830 -207.8337 557081.2265 -1.3138 -1.1377 PRESSURE: 2144800 -255.478 -68.3218 -70.1419 -68.3218 33.2792 21.2969 -70.1427 21.2973 162.237 GPRESSURE: 2144800 -224.182 -147.988 -28.5728 15.7037 119.172 -27.6075 -47.6186 52.8362 143.809 PRESSAVG: 2144800 -13.0289 -3.36616 48.4609 -3.36623 6.21958 -36.9788 48.4608 -36.9788 -42.0541 GPRESSAVG: 2144800 -13.4413 -5.64901 48.5123 -2.12332 4.96417 -40.3156 48.5395 -35.4866 -41.1682 TIMING: 2144800 CPU: 6465.64, 0.00300508/step Wall: 6465.64, 0.00300508/step, 2.38336 hours remaining, 209.199219 MB of memory in use. ENERGY: 2144800 713.8928 2091.8933 1937.6633 117.0807 -206736.7021 17734.0054 0.0000 0.0000 33999.9220 -150142.2447 296.9298 -184142.1667 -150047.1133 296.1371 -19.9872 12.9333 554526.3614 -16.2878 -16.5484 PRESSURE: 2145000 -142.438 -19.7638 125.156 -19.7639 -27.0496 -135.706 125.157 -135.706 -144.66 GPRESSURE: 2145000 -165.911 2.37446 178.41 86.0087 41.3849 -152.501 115.443 -70.5815 -85.7663 PRESSAVG: 2145000 20.8527 -46.8579 2.80155 -46.8579 59.0745 -21.8393 2.80151 -21.8392 -40.0304 GPRESSAVG: 2145000 20.58 -46.5852 1.36238 -47.2504 59.8492 -20.5107 3.47984 -21.1271 -39.9802 TIMING: 2145000 CPU: 6466.24, 0.0030123/step Wall: 6466.24, 0.0030123/step, 2.38892 hours remaining, 209.199219 MB of memory in use. ENERGY: 2145000 746.2511 2054.3257 1935.9737 93.9036 -206672.0304 17717.9697 0.0000 0.0000 34013.1105 -150110.4961 297.0450 -184123.6066 -150008.1271 296.9889 -104.7160 -70.0974 555518.6137 13.2989 13.4830 PRESSURE: 2145200 -120.606 -53.0298 80.5553 -53.0296 161.412 -3.19614 80.5557 -3.19634 -12.1993 GPRESSURE: 2145200 -84.9938 -66.0338 78.806 -26.2961 166.596 -43.1863 26.8612 33.8352 37.4548 PRESSAVG: 2145200 -60.8983 -4.97007 38.6191 -4.97008 30.9963 -17.1726 38.6192 -17.1726 12.062 GPRESSAVG: 2145200 -60.8965 -2.29142 39.0448 -7.51558 31.3581 -19.7879 38.6603 -15.8589 11.9014 TIMING: 2145200 CPU: 6466.85, 0.00305173/step Wall: 6466.85, 0.00305173/step, 2.42002 hours remaining, 209.199219 MB of memory in use. ENERGY: 2145200 763.4492 2107.0339 1919.2752 114.4154 -206681.3875 17912.4549 0.0000 0.0000 33817.1668 -150047.5922 295.3337 -183864.7589 -149945.0138 296.0885 9.5358 39.6857 555937.6115 -5.9467 -5.8790 PRESSURE: 2145400 -158.977 20.9387 40.8786 20.9373 -183.541 -43.3419 40.8786 -43.34 -120.55 GPRESSURE: 2145400 -175.132 65.3427 113.668 21.4908 -160.702 -25.2563 44.7005 -51.6778 -25.3352 PRESSAVG: 2145400 7.70785 21.3438 36.0097 21.3439 56.1439 -12.6922 36.0097 -12.6925 -52.6309 GPRESSAVG: 2145400 7.53309 21.5567 36.0303 22.721 55.7175 -10.0492 35.3841 -14.3525 -51.8917 TIMING: 2145400 CPU: 6467.45, 0.00298391/step Wall: 6467.45, 0.00298391/step, 2.36608 hours remaining, 209.199219 MB of memory in use. ENERGY: 2145400 710.1744 2065.2061 1953.1889 113.7063 -206475.3977 17719.6788 0.0000 0.0000 34002.9098 -149910.5333 296.9559 -183913.4431 -149815.7018 296.7600 -154.3559 -120.3900 557700.3101 3.7403 3.7863 PRESSURE: 2145600 193.207 57.0099 63.6846 57.0097 117.375 -56.1369 63.6835 -56.1388 194.543 GPRESSURE: 2145600 186.912 21.9459 79.0107 57.4448 214.679 13.996 117.775 -117.264 206.37 PRESSAVG: 2145600 -50.6728 40.0224 50.009 40.0224 77.0808 -26.1134 50.0089 -26.1135 -27.3199 GPRESSAVG: 2145600 -49.8463 38.5413 49.5689 40.23 77.5379 -26.3967 51.8467 -27.1748 -28.6342 TIMING: 2145600 CPU: 6468.05, 0.00299905/step Wall: 6468.05, 0.00299905/step, 2.37791 hours remaining, 209.199219 MB of memory in use. ENERGY: 2145600 717.1630 2080.3591 1926.9170 110.7517 -207301.8221 18316.8107 0.0000 0.0000 34363.9919 -149785.8288 300.1093 -184149.8207 -149693.7624 297.7789 168.3750 202.6537 556212.8743 -0.3040 -0.3142 PRESSURE: 2145800 -206.852 25.1629 187.095 25.1614 -16.3742 73.8036 187.094 73.8022 94.5241 GPRESSURE: 2145800 -215.61 85.2544 230.898 18.8323 62.5274 103.635 162.842 41.2487 107.692 PRESSAVG: 2145800 -54.567 68.1689 61.3755 68.1689 37.9944 -6.10579 61.3754 -6.10566 11.4403 GPRESSAVG: 2145800 -54.1497 71.1355 62.904 66.1559 37.1426 -4.1131 59.068 -5.88765 12.0613 TIMING: 2145800 CPU: 6468.65, 0.00299935/step Wall: 6468.65, 0.00299935/step, 2.37798 hours remaining, 209.199219 MB of memory in use. ENERGY: 2145800 768.1093 2071.5154 1933.4942 98.7867 -206464.8355 17746.6023 0.0000 0.0000 34108.7489 -149737.5788 297.8802 -183846.3277 -149637.1133 297.1557 -42.9006 -15.1302 557027.7169 -1.7108 -1.6486 PRESSURE: 2146000 130.181 171.107 -144.333 171.108 -221.954 -7.97099 -144.333 -7.97114 -173.1 GPRESSURE: 2146000 133.414 169.395 -159.128 162.457 -196.149 -26.1791 -196.664 64.6824 -106.564 PRESSAVG: 2146000 -9.62271 69.6258 27.2187 69.6259 -0.621377 -2.98955 27.2187 -2.98953 6.89318 GPRESSAVG: 2146000 -10.0281 67.5407 27.5584 70.5954 -0.691684 -4.92669 26.9396 -1.45948 7.65439 TIMING: 2146000 CPU: 6469.24, 0.00296046/step Wall: 6469.24, 0.00296046/step, 2.34699 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: 2146000 744.9325 2075.4366 1921.7823 106.4183 -206598.0470 17838.4256 0.0000 0.0000 34157.5697 -149753.4820 298.3066 -183911.0517 -149660.5372 297.5108 -88.2909 -56.4330 556664.3997 -1.1170 -1.0218 PRESSURE: 2146200 -417.858 -221.007 12.432 -221.007 -276.895 -100.966 12.4316 -100.966 -27.6414 GPRESSURE: 2146200 -350.464 -166.654 -69.0953 -233.243 -241.32 -47.9647 -28.311 -129.923 -28.5195 PRESSAVG: 2146200 -49.0105 6.56379 23.9192 6.56379 -40.1945 -33.9034 23.9192 -33.9034 56.3639 GPRESSAVG: 2146200 -49.8279 4.85243 22.8659 8.78904 -39.4182 -33.0261 25.0601 -33.8169 56.2076 TIMING: 2146200 CPU: 6469.83, 0.0029835/step Wall: 6469.83, 0.0029835/step, 2.36508 hours remaining, 209.199219 MB of memory in use. ENERGY: 2146200 798.8202 2056.5385 1914.3786 108.9229 -205969.3696 17484.1062 0.0000 0.0000 33999.6886 -149606.9145 296.9277 -183606.6031 -149518.1049 297.2917 -240.7982 -206.7677 558200.1466 -10.9471 -11.0128 PRESSURE: 2146400 150.837 36.7447 20.7014 36.7446 121.629 46.7268 20.7008 46.7271 327.134 GPRESSURE: 2146400 191.353 16.2207 55.2019 33.0392 154.285 -2.06681 23.1666 91.2372 355.463 PRESSAVG: 2146400 -76.0999 -3.16996 -32.667 -3.17003 40.2551 -5.94131 -32.667 -5.94146 44.6292 GPRESSAVG: 2146400 -75.8478 -0.558451 -33.0139 -7.0377 39.2868 -6.12747 -33.0048 -7.03278 45.9102 TIMING: 2146400 CPU: 6470.43, 0.00298411/step Wall: 6470.43, 0.00298411/step, 2.3654 hours remaining, 209.199219 MB of memory in use. ENERGY: 2146400 758.8023 2031.8298 1941.8347 110.4584 -207037.8646 18324.5213 0.0000 0.0000 34304.6753 -149565.7428 299.5913 -183870.4181 -149470.3472 298.5337 199.8667 233.7003 557916.4394 2.9282 3.1164 PRESSURE: 2146600 167.809 -30.7737 -68.437 -30.7734 -229.11 18.2502 -68.4372 18.2506 15.4965 GPRESSURE: 2146600 218.148 53.9755 -51.0063 -54.3165 -176.694 43.2766 -28.1807 -82.5291 -0.774049 PRESSAVG: 2146600 -32.8755 -0.509497 -10.4981 -0.509509 -28.167 -48.195 -10.4981 -48.1949 39.0595 GPRESSAVG: 2146600 -32.3716 -1.80049 -10.0959 1.33162 -29.0089 -47.7093 -11.3843 -47.5645 39.0071 TIMING: 2146600 CPU: 6471.03, 0.00300247/step Wall: 6471.03, 0.00300247/step, 2.37979 hours remaining, 209.199219 MB of memory in use. ENERGY: 2146600 745.0395 2062.0136 1950.6364 116.8390 -206306.3479 17895.2385 0.0000 0.0000 34140.5021 -149396.0788 298.1575 -183536.5809 -149302.1224 298.9275 -15.2681 13.5600 559048.3869 -7.3277 -7.4578 PRESSURE: 2146800 -70.1014 96.0608 -35.8318 96.0607 98.7704 3.39812 -35.8311 3.39868 168.954 GPRESSURE: 2146800 19.8226 105.298 -43.1776 62.5075 62.3962 -28.4429 -99.8666 7.91347 206.58 PRESSAVG: 2146800 -33.7175 6.12415 -38.1526 6.12411 34.0843 27.587 -38.1526 27.5868 -23.9373 GPRESSAVG: 2146800 -34.463 7.94053 -39.4238 4.3757 35.6287 26.5205 -36.8923 27.3633 -25.0772 TIMING: 2146800 CPU: 6471.63, 0.00299882/step Wall: 6471.63, 0.00299882/step, 2.37673 hours remaining, 209.199219 MB of memory in use. ENERGY: 2146800 720.8404 2073.5486 1941.2737 117.1866 -206096.0064 17801.6687 0.0000 0.0000 34076.4435 -149365.0450 297.5981 -183441.4885 -149273.4039 298.8554 65.8745 96.2664 557098.3065 -7.8568 -7.9705 PRESSURE: 2147000 -86.6667 -102.844 -98.7482 -102.843 -212.385 111.828 -98.7476 111.827 -218.879 GPRESSURE: 2147000 -72.1167 -125.338 -97.541 -108.693 -169.248 136.581 -75.6164 94.3682 -184.309 PRESSAVG: 2147000 -6.28337 12.7687 -61.5145 12.7687 7.82668 -12.1968 -61.5145 -12.1969 22.4003 GPRESSAVG: 2147000 -5.72431 10.3428 -61.1947 13.1245 6.62709 -12.8122 -61.221 -11.1366 23.3644 TIMING: 2147000 CPU: 6472.24, 0.00303674/step Wall: 6472.24, 0.00303674/step, 2.40662 hours remaining, 209.199219 MB of memory in use. ENERGY: 2147000 750.3024 2055.4490 1919.4828 93.8251 -206174.9001 17607.7354 0.0000 0.0000 34452.3798 -149295.7256 300.8812 -183748.1054 -149197.9063 299.4348 -172.6436 -141.8909 558716.4714 7.9812 8.0891 PRESSURE: 2147200 82.9167 -59.4452 -221.325 -59.4452 -110.147 -4.06087 -221.326 -4.0608 63.0686 GPRESSURE: 2147200 133.333 -95.2666 -230.97 -61.7487 -48.5067 -20.9549 -193.948 15.8133 48.476 PRESSAVG: 2147200 27.1137 1.22852 -11.4817 1.2286 -62.8179 -31.8157 -11.4817 -31.8156 34.9545 GPRESSAVG: 2147200 26.3059 3.54654 -9.81366 -0.502351 -60.7438 -32.1997 -11.2586 -31.7286 33.9459 TIMING: 2147200 CPU: 6472.84, 0.00302707/step Wall: 6472.84, 0.00302707/step, 2.39879 hours remaining, 209.199219 MB of memory in use. ENERGY: 2147200 758.1892 2136.1846 1917.6678 103.2735 -206271.0781 17895.1573 0.0000 0.0000 34036.9270 -149423.6786 297.2529 -183460.6056 -149331.7378 299.0104 11.9461 44.4343 557782.8309 -0.2499 -0.1640 PRESSURE: 2147400 -289.134 161.012 -59.6095 161.013 -154.152 76.6631 -59.6095 76.6633 -259.124 GPRESSURE: 2147400 -269.802 89.7157 -152.823 170.833 -99.9502 81.6549 -71.6657 73.3328 -214.79 PRESSAVG: 2147400 -32.6331 27.3278 -14.7174 27.3279 7.3466 -10.2482 -14.7174 -10.2482 53.0264 GPRESSAVG: 2147400 -30.9909 25.8266 -15.8327 28.7885 6.24123 -7.58603 -16.5024 -12.1632 52.5924 TIMING: 2147400 CPU: 6473.44, 0.00300536/step Wall: 6473.44, 0.00300536/step, 2.38141 hours remaining, 209.199219 MB of memory in use. ENERGY: 2147400 793.0818 2109.6573 1917.4086 120.5174 -205939.2700 17549.9180 0.0000 0.0000 34157.4455 -149291.2416 298.3055 -183448.6870 -149195.5629 298.6177 -234.1369 -194.8473 557323.6591 9.2466 9.2809 PRESSURE: 2147600 -210.135 15.7639 -244.131 15.7627 -73.5265 12.1245 -244.132 12.1246 90.8108 GPRESSURE: 2147600 -145.456 -47.015 -122.149 63.0012 -66.0589 -12.706 -250.498 68.0445 124.381 PRESSAVG: 2147600 -46.2044 50.632 -35.0057 50.6319 37.5037 45.4657 -35.0059 45.4657 52.9299 GPRESSAVG: 2147600 -47.4175 50.6389 -34.7802 51.9738 37.6286 46.2864 -31.6443 46.2138 54.0038 TIMING: 2147600 CPU: 6474.05, 0.0030407/step Wall: 6474.05, 0.0030407/step, 2.40925 hours remaining, 209.199219 MB of memory in use. ENERGY: 2147600 779.6947 2106.3024 1928.5607 122.7928 -206351.1181 17711.3820 0.0000 0.0000 34189.1719 -149513.2136 298.5825 -183702.3855 -149416.8281 298.7381 -64.2836 -29.0446 557353.5369 14.7431 14.7383 PRESSURE: 2147800 -33.4274 -42.2721 39.4293 -42.2719 -18.4864 1.95185 39.43 1.95185 -58.3069 GPRESSURE: 2147800 -38.2843 -91.7352 3.04198 -4.23043 46.4178 -5.24771 -18.2624 89.8019 -32.7766 PRESSAVG: 2147800 -103.853 20.8711 -27.5837 20.8712 2.70467 -38.5181 -27.5838 -38.5181 79.0743 GPRESSAVG: 2147800 -103.392 20.5881 -25.6034 21.2563 2.37301 -39.1506 -30.3397 -39.3869 78.1752 TIMING: 2147800 CPU: 6474.66, 0.00301667/step Wall: 6474.66, 0.00301667/step, 2.39004 hours remaining, 209.199219 MB of memory in use. ENERGY: 2147800 767.3227 2059.9578 1953.5603 113.0953 -206317.0714 17890.1324 0.0000 0.0000 33961.3224 -149571.6805 296.5927 -183533.0029 -149475.0247 297.8230 -36.7402 -8.2144 557891.6589 -7.3581 -7.6147 PRESSURE: 2148000 -191.336 49.8216 65.4967 49.8217 -0.293379 -72.1635 65.4959 -72.1627 -140.149 GPRESSURE: 2148000 -129.682 103.447 123.429 21.8356 1.22833 -123.135 -20.2688 -11.9906 -110.43 PRESSAVG: 2148000 -67.6154 -20.8746 19.3704 -20.8747 32.2512 14.7115 19.3703 14.7115 23.2664 GPRESSAVG: 2148000 -69.221 -17.218 17.3204 -24.0559 33.4567 13.9462 19.0727 17.4783 23.3936 TIMING: 2148000 CPU: 6475.26, 0.00301502/step Wall: 6475.26, 0.00301502/step, 2.38856 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: 2148000 743.4089 2096.6264 1929.3927 98.3675 -206332.5163 17744.3038 0.0000 0.0000 34168.2924 -149552.1245 298.4002 -183720.4169 -149455.1350 298.2145 -110.5929 -79.6280 558735.4828 -4.0326 -4.1236 PRESSURE: 2148200 -69.3649 -58.2165 235.826 -58.2175 147.257 110.94 235.827 110.942 12.2651 GPRESSURE: 2148200 -41.6502 14.5339 242.666 -56.8052 195.896 47.1551 275.719 172.561 24.4198 PRESSAVG: 2148200 31.8046 -43.9968 -13.5733 -43.9967 -20.0679 29.9582 -13.5733 29.9581 -4.462 GPRESSAVG: 2148200 31.4023 -44.3123 -13.4033 -43.2844 -19.7314 28.8701 -12.7219 27.7185 -4.23924 TIMING: 2148200 CPU: 6475.86, 0.00300574/step Wall: 6475.86, 0.00300574/step, 2.38105 hours remaining, 209.199219 MB of memory in use. ENERGY: 2148200 761.0815 2080.2666 1923.1010 110.4174 -206431.1344 17882.0049 0.0000 0.0000 34110.9898 -149563.2733 297.8998 -183674.2631 -149463.5680 298.1217 30.0523 59.5551 556605.3452 2.4249 2.4772 LDB: ============= START OF LOAD BALANCING ============== 6479.38 LDB: ============== END OF LOAD BALANCING =============== 6479.38 LDB: =============== DONE WITH MIGRATION ================ 6479.38 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 6479.68 LDB: Largest compute 4801 load 0.028738 is 24.3% of average load 0.118052 LDB: Average compute 0.001733 is 1.5% of average load 0.118052 LDB: TIME 6479.68 LOAD: AVG 0.118052 MAX 0.205843 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.055 MB LDB: TIME 6479.68 LOAD: AVG 0.118052 MAX 0.205843 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.227 MB LDB: TIME 6479.68 LOAD: AVG 0.118052 MAX 0.205843 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.227 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6479.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6479.69 PRESSURE: 2148400 91.4781 -18.1909 49.8489 -18.1914 -44.7688 24.6505 49.8492 24.6509 -129.787 GPRESSURE: 2148400 78.3197 75.3795 -21.0868 54.555 -0.955162 20.9741 83.0906 99.4436 -49.8291 PRESSAVG: 2148400 14.2035 -15.6737 54.8336 -15.6737 18.7545 8.45288 54.8336 8.45286 13.338 GPRESSAVG: 2148400 15.2184 -17.0944 53.4842 -15.5916 16.9751 8.08054 54.944 8.98457 14.3007 TIMING: 2148400 CPU: 6476.47, 0.00306387/step Wall: 6476.47, 0.00306387/step, 2.42693 hours remaining, 209.253906 MB of memory in use. ENERGY: 2148400 778.1456 2069.6701 1956.3411 124.8234 -206466.7467 17861.2298 0.0000 0.0000 34336.0051 -149340.5315 299.8649 -183676.5366 -149240.9999 298.4262 -27.6924 9.1785 555880.0669 15.4320 15.4981 PRESSURE: 2148600 -169.708 -123.619 33.1997 -123.618 -200.763 -30.6772 33.2001 -30.6792 -55.6351 GPRESSURE: 2148600 -142.592 -121.692 28.5425 -173.694 -153.802 14.7306 18.9141 -69.7968 -22.1481 PRESSAVG: 2148600 18.8464 17.3711 -32.6686 17.3711 -12.3419 -9.61366 -32.6686 -9.61349 11.0771 GPRESSAVG: 2148600 17.8872 16.1817 -31.6292 19.589 -10.3109 -9.7248 -32.4408 -8.05649 10.205 TIMING: 2148600 CPU: 6477.07, 0.0029957/step Wall: 6477.07, 0.0029957/step, 2.37276 hours remaining, 209.699219 MB of memory in use. ENERGY: 2148600 780.3732 2046.2650 1920.1898 117.9470 -206092.3903 17681.7493 0.0000 0.0000 34313.8111 -149232.0549 299.6710 -183545.8660 -149135.1622 299.7442 -142.0354 -106.1808 557138.3962 5.8606 5.9271 PRESSURE: 2148800 -366.485 -96.2147 -35.0082 -96.2154 -109.644 -25.5471 -35.0098 -25.5469 30.38 GPRESSURE: 2148800 -292.397 -56.2884 -64.2411 -53.9792 -99.2735 -42.6977 -57.8833 22.9842 51.7808 PRESSAVG: 2148800 -11.9099 2.43894 19.2428 2.43894 -11.0567 40.9298 19.2428 40.9299 4.72484 GPRESSAVG: 2148800 -11.8971 5.11001 19.3801 -0.355629 -10.8723 39.2904 19.0812 41.0747 4.58763 TIMING: 2148800 CPU: 6477.67, 0.00298906/step Wall: 6477.67, 0.00298906/step, 2.36734 hours remaining, 209.699219 MB of memory in use. ENERGY: 2148800 761.2880 2053.9969 1927.0717 124.2802 -206020.8002 17650.0059 0.0000 0.0000 34216.6936 -149287.4640 298.8229 -183504.1576 -149187.1359 299.6452 -148.5827 -113.2965 557402.6656 -6.0806 -6.0606 PRESSURE: 2149000 35.9757 36.3687 -87.7474 36.3666 1.3575 -12.2497 -87.7477 -12.2488 -5.95765 GPRESSURE: 2149000 111.952 -17.1009 -88.1745 31.6167 16.5443 12.1313 -71.6572 -16.8217 -4.1314 PRESSAVG: 2149000 29.809 41.3959 -10.4836 41.396 -11.1803 8.246 -10.4837 8.24602 -38.2356 GPRESSAVG: 2149000 31.0819 38.5556 -12.5389 44.0253 -12.6707 10.8963 -8.9472 5.05207 -38.2225 TIMING: 2149000 CPU: 6478.27, 0.00299333/step Wall: 6478.27, 0.00299333/step, 2.37055 hours remaining, 209.699219 MB of memory in use. ENERGY: 2149000 721.9353 2113.5349 1939.3184 117.7806 -206377.1902 17733.0931 0.0000 0.0000 34232.8496 -149518.6783 298.9640 -183751.5279 -149429.1841 299.2745 10.4585 41.4550 557356.6004 -6.5356 -6.6038 PRESSURE: 2149200 -130.519 12.4391 -42.2419 12.4394 32.45 -3.00882 -42.2411 -3.00786 149.22 GPRESSURE: 2149200 -81.9691 -42.8671 82.0603 39.4439 78.4439 62.6874 -94.4295 1.52787 150.86 PRESSAVG: 2149200 1.05123 -40.0227 -4.19315 -40.0227 51.5723 14.5619 -4.19314 14.5619 -60.7363 GPRESSAVG: 2149200 0.315992 -38.5648 -1.57519 -42.6309 50.6499 13.7115 -6.18925 15.2255 -59.0087 TIMING: 2149200 CPU: 6478.87, 0.00300107/step Wall: 6478.87, 0.00300107/step, 2.37652 hours remaining, 209.699219 MB of memory in use. ENERGY: 2149200 743.2853 2153.8721 1906.9096 105.5900 -206441.3030 17952.1542 0.0000 0.0000 34155.7843 -149423.7075 298.2910 -183579.4918 -149329.7340 299.3867 17.0503 49.1115 556831.4509 -2.7043 -2.6809 PRESSURE: 2149400 -27.1461 115.454 44.1509 115.455 -39.7713 42.2997 44.1509 42.301 88.5058 GPRESSURE: 2149400 6.00154 157.579 -22.1357 70.3043 -23.4396 104.75 110.203 40.7674 144.714 PRESSAVG: 2149400 -25.9154 25.6947 19.3616 25.6947 62.6852 11.1517 19.3615 11.1516 -29.2025 GPRESSAVG: 2149400 -25.5014 24.8834 16.1496 25.751 63.3288 13.0817 19.588 11.7517 -30.6639 TIMING: 2149400 CPU: 6479.47, 0.00301056/step Wall: 6479.47, 0.00301056/step, 2.38386 hours remaining, 209.699219 MB of memory in use. ENERGY: 2149400 753.8564 2103.7815 1917.0581 121.8274 -206442.6606 17850.9668 0.0000 0.0000 34315.5706 -149379.5997 299.6864 -183695.1704 -149296.9656 298.8409 7.1962 42.4253 558351.2143 2.5224 2.3878 PRESSURE: 2149600 -33.3731 -147.391 148.262 -147.391 -95.2137 79.8799 148.261 79.8805 -158.106 GPRESSURE: 2149600 -36.5991 -143.193 150.705 -163.621 -18.3479 76.6388 133.952 68.1309 -138.703 PRESSAVG: 2149600 6.88925 -77.0644 20.2976 -77.0644 49.3297 45.9848 20.2976 45.9849 -31.9277 GPRESSAVG: 2149600 6.31645 -76.99 22.1193 -75.6291 49.7072 45.1967 21.4832 45.8784 -31.7073 TIMING: 2149600 CPU: 6480.07, 0.00300493/step Wall: 6480.07, 0.00300493/step, 2.37923 hours remaining, 209.699219 MB of memory in use. ENERGY: 2149600 761.0994 2113.9630 1930.0820 107.8366 -206007.4874 17662.0994 0.0000 0.0000 34112.9597 -149319.4472 297.9170 -183432.4068 -149228.5217 297.9058 -95.5644 -64.5502 557671.3517 8.0971 8.1054 PRESSURE: 2149800 -74.9603 -7.2339 2.95989 -7.23432 -44.8695 -57.4499 2.96132 -57.4496 -440.163 GPRESSURE: 2149800 -21.4468 82.3819 52.5004 19.9067 10.4525 -18.4382 -48.9607 -92.0306 -442.336 PRESSAVG: 2149800 -26.1232 2.42909 14.6427 2.42911 50.7614 26.5607 14.6428 26.5606 -21.6385 GPRESSAVG: 2149800 -25.1678 2.62452 13.1149 2.94817 49.8379 26.1066 13.5259 26.1331 -21.809 TIMING: 2149800 CPU: 6480.68, 0.00302773/step Wall: 6480.68, 0.00302773/step, 2.39712 hours remaining, 209.699219 MB of memory in use. ENERGY: 2149800 769.7061 2089.7567 1923.6529 119.3077 -205830.4459 17632.1309 0.0000 0.0000 33990.8476 -149305.0441 296.8505 -183295.8917 -149204.9061 299.0165 -186.6641 -151.1102 557940.5301 0.9999 0.9537 PRESSURE: 2150000 -21.4146 -104.866 -170.974 -104.865 -244.326 101.791 -170.975 101.792 -8.51735 GPRESSURE: 2150000 38.7094 -97.2386 -217.295 -96.2899 -201.033 146.036 -104.254 98.5708 -4.99169 PRESSAVG: 2150000 -17.8941 0.0730871 -63.8739 0.0730514 37.5904 -6.06965 -63.874 -6.06967 -5.38859 GPRESSAVG: 2150000 -18.4338 -2.31509 -64.9657 0.594507 38.3184 -5.68926 -61.7882 -7.98375 -5.20542 TIMING: 2150000 CPU: 6481.28, 0.00301266/step Wall: 6481.28, 0.00301266/step, 2.38502 hours remaining, 209.699219 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: 2150000 776.4050 2075.8833 1943.4919 115.8118 -206112.6546 17564.6131 0.0000 0.0000 34273.9463 -149362.5033 299.3229 -183636.4497 -149255.3499 298.9478 -91.4195 -55.7718 557333.3425 4.7693 4.8931 PRESSURE: 2150200 164.591 -50.8465 -91.5327 -50.8463 162.306 -35.6822 -91.5328 -35.6803 -26.2169 GPRESSURE: 2150200 191.839 -56.2891 -145.62 -62.0892 211.436 -66.9798 -68.456 41.7626 2.0873 PRESSAVG: 2150200 -30.3889 -19.4266 -22.154 -19.4266 48.3733 -10.0737 -22.1539 -10.0738 -6.13179 GPRESSAVG: 2150200 -29.9976 -18.4379 -20.1086 -21.1733 48.7753 -9.40607 -24.1775 -8.01491 -6.29349 TIMING: 2150200 CPU: 6481.88, 0.00301551/step Wall: 6481.88, 0.00301551/step, 2.38711 hours remaining, 209.699219 MB of memory in use. ENERGY: 2150200 764.6901 2062.6280 1943.4083 105.0206 -206348.8076 17999.8061 0.0000 0.0000 34365.4202 -149107.8343 300.1218 -183473.2545 -149010.3668 299.0794 100.2270 135.1208 556806.5995 3.9509 4.1614 PRESSURE: 2150400 -261.351 14.7136 -271.556 14.7141 -158.05 29.6423 -271.556 29.6441 -134.384 GPRESSURE: 2150400 -233.507 99.8576 -273.545 -16.8387 -134.674 29.8498 -208.684 89.3109 -72.6136 PRESSAVG: 2150400 -30.5033 13.5261 -50.0438 13.5262 -4.92913 -2.34078 -50.0438 -2.3408 48.0485 GPRESSAVG: 2150400 -31.1112 13.1038 -51.4776 13.2601 -5.0512 -3.38795 -49.5318 -2.63634 48.6011 TIMING: 2150400 CPU: 6482.48, 0.00300578/step Wall: 6482.48, 0.00300578/step, 2.37924 hours remaining, 209.699219 MB of memory in use. ENERGY: 2150400 771.7445 2165.5485 1915.8926 109.9338 -206074.3757 17667.4627 0.0000 0.0000 34229.4229 -149214.3705 298.9341 -183443.7935 -149113.0353 300.0103 -184.5951 -146.9315 558039.8532 4.2054 4.1462 PRESSURE: 2150600 -260.647 41.3532 -121.856 41.3533 -181.558 -170 -121.856 -170.002 146.259 GPRESSURE: 2150600 -221.596 23.0301 -135.229 56.5536 -131.725 -137.936 -45.6895 -51.9036 136.989 PRESSAVG: 2150600 -39.8648 22.1352 -35.7223 22.1353 24.2074 -50.7498 -35.7223 -50.7498 16.7024 GPRESSAVG: 2150600 -40.4046 23.488 -34.0412 21.4864 24.0931 -49.259 -35.5224 -50.0398 17.5189 TIMING: 2150600 CPU: 6483.08, 0.00298903/step Wall: 6483.08, 0.00298903/step, 2.36581 hours remaining, 209.699219 MB of memory in use. ENERGY: 2150600 778.2743 2195.8338 1935.7417 102.7362 -206319.5703 17848.1122 0.0000 0.0000 34027.1133 -149431.7589 297.1672 -183458.8722 -149341.7780 298.6996 -98.6487 -72.1103 557740.9456 0.3483 0.4024 PRESSURE: 2150800 -22.3676 48.2438 187.246 48.2436 220.906 -79.7351 187.246 -79.734 -63.0715 GPRESSURE: 2150800 -18.6612 -44.747 211.007 117.03 239.251 -121.683 137.11 -21.7606 2.9346 PRESSAVG: 2150800 -23.8861 18.9951 -5.10548 18.9951 32.7688 7.52181 -5.10548 7.52186 24.7635 GPRESSAVG: 2150800 -22.7773 18.1238 -3.85876 21.0114 32.4236 7.7797 -9.17575 4.97045 24.6874 TIMING: 2150800 CPU: 6483.69, 0.0030236/step Wall: 6483.69, 0.0030236/step, 2.39301 hours remaining, 209.699219 MB of memory in use. ENERGY: 2150800 716.4970 2096.9645 1945.0978 123.2036 -206645.3713 17968.6903 0.0000 0.0000 34315.1754 -149479.7427 299.6830 -183794.9181 -149376.3982 298.9206 45.1555 74.5081 556329.2657 11.2154 11.4446 PRESSURE: 2151000 -116.446 -1.25682 70.8086 -1.25689 -73.7644 123.298 70.8088 123.296 282.448 GPRESSURE: 2151000 -160.754 -41.383 -35.6877 33.6447 -15.7762 210.658 149.373 83.4977 366.368 PRESSAVG: 2151000 -41.3136 13.013 20.5014 13.0131 7.54544 41.2078 20.5016 41.2079 -5.01777 GPRESSAVG: 2151000 -41.9469 14.061 17.9757 12.1915 8.95354 40.9156 24.5848 42.2258 -5.67267 TIMING: 2151000 CPU: 6484.29, 0.0030074/step Wall: 6484.29, 0.0030074/step, 2.38003 hours remaining, 209.699219 MB of memory in use. ENERGY: 2151000 767.5145 2094.8640 1908.4269 138.4893 -206420.8027 17959.9067 0.0000 0.0000 34184.7311 -149366.8702 298.5438 -183551.6013 -149267.2930 298.5912 30.7457 63.2793 559137.8099 -12.9286 -12.8887 PRESSURE: 2151200 42.1358 10.0665 -92.1956 10.067 -10.852 -43.5456 -92.1946 -43.5467 -90.5695 GPRESSURE: 2151200 86.1618 -58.3284 -60.8545 9.81928 3.78801 -78.0074 -94.9826 -76.4158 -40.9471 PRESSAVG: 2151200 22.5254 20.0289 52.2249 20.0289 -8.70186 31.1582 52.2248 31.1582 -24.1619 GPRESSAVG: 2151200 22.4211 20.1416 54.1446 19.1582 -9.16658 29.9961 51.2964 32.1831 -23.4312 TIMING: 2151200 CPU: 6484.89, 0.00300833/step Wall: 6484.89, 0.00300833/step, 2.38059 hours remaining, 209.699219 MB of memory in use. ENERGY: 2151200 763.5834 2127.2649 1915.6445 112.4854 -206473.8245 17947.9533 0.0000 0.0000 34363.2567 -149243.6363 300.1029 -183606.8930 -149142.9895 298.8963 -19.7619 16.3343 557296.8372 -3.4461 -3.3922 PRESSURE: 2151400 89.7967 95.1793 -41.3157 95.1797 169.057 -89.9342 -41.3159 -89.9359 89.7821 GPRESSURE: 2151400 83.828 81.3184 -81.0503 113.019 227.119 -76.3988 -23.6078 -72.0021 135.394 PRESSAVG: 2151400 -18.4836 -42.0038 -24.5352 -42.0038 -33.0211 -12.4763 -24.5352 -12.4764 31.5286 GPRESSAVG: 2151400 -18.3579 -40.9714 -25.2223 -41.4292 -34.2837 -12.8604 -25.9502 -12.2153 32.603 TIMING: 2151400 CPU: 6485.49, 0.00299003/step Wall: 6485.49, 0.00299003/step, 2.36594 hours remaining, 209.699219 MB of memory in use. ENERGY: 2151400 785.9621 2153.4013 1924.6655 113.7400 -206740.8727 18135.5013 0.0000 0.0000 34323.4082 -149304.1943 299.7549 -183627.6025 -149213.7677 299.6185 116.2121 148.7805 556057.7807 -6.6587 -6.6795 PRESSURE: 2151600 66.4405 -51.5782 -66.9526 -51.5787 160.348 -95.6104 -66.9519 -95.6104 174.962 GPRESSURE: 2151600 141.068 -54.9447 -65.8622 -24.9674 198.489 -133.183 -69.5232 2.86946 170.586 PRESSAVG: 2151600 -31.666 15.7327 -47.9389 15.7328 5.17437 -3.9565 -47.9389 -3.9566 46.7161 GPRESSAVG: 2151600 -31.2742 16.6028 -46.8663 15.3532 5.7575 -2.74981 -47.6966 -5.524 45.7588 TIMING: 2151600 CPU: 6486.09, 0.00299223/step Wall: 6486.09, 0.00299223/step, 2.36752 hours remaining, 209.699219 MB of memory in use. ENERGY: 2151600 717.6290 2097.3300 1926.3334 113.8962 -206769.8281 18133.6036 0.0000 0.0000 34186.1654 -149594.8704 298.5563 -183781.0359 -149498.8515 298.7392 133.9168 170.0477 556117.3000 6.7415 6.7474 PRESSURE: 2151800 191.112 11.2311 168.098 11.2313 -9.22425 38.2385 168.096 38.2396 -172.006 GPRESSURE: 2151800 276.191 65.5425 195.991 83.8925 20.8844 -18.734 127.315 90.7434 -187.178 PRESSAVG: 2151800 -23.9231 23.4194 23.8069 23.4193 -34.7266 25.965 23.8071 25.9651 67.5595 GPRESSAVG: 2151800 -23.7215 20.3339 22.6019 25.1886 -34.1064 26.0461 23.3608 27.6866 67.1103 TIMING: 2151800 CPU: 6486.7, 0.00305538/step Wall: 6486.7, 0.00305538/step, 2.41732 hours remaining, 209.699219 MB of memory in use. ENERGY: 2151800 703.5835 2113.5208 1923.7660 104.4215 -206586.8294 17915.7299 0.0000 0.0000 34249.5006 -149576.3072 299.1094 -183825.8078 -149485.4074 298.6303 3.2938 36.6324 556742.5465 2.9699 3.0941 PRESSURE: 2152000 -127.892 -22.7138 -98.4585 -22.7136 -31.2495 94.982 -98.4599 94.9806 -114.197 GPRESSURE: 2152000 -62.6625 -78.8746 -116.906 51.8001 13.4087 81.0795 -82.8576 104.428 -114.291 PRESSAVG: 2152000 15.8889 -32.7858 -30.4896 -32.7859 -69.8787 1.82657 -30.4896 1.82648 41.0415 GPRESSAVG: 2152000 15.3837 -32.9886 -30.1243 -35.0019 -69.1107 0.86434 -28.4942 0.586298 40.5528 TIMING: 2152000 CPU: 6487.3, 0.00303428/step Wall: 6487.3, 0.00303428/step, 2.40045 hours remaining, 209.699219 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: 2152000 755.4465 2123.3553 1920.6584 104.9475 -206214.2682 17700.6796 0.0000 0.0000 34012.6577 -149596.5233 297.0410 -183609.1810 -149497.1280 297.9422 -91.1126 -54.5151 556936.1247 -4.3161 -4.3914 PRESSURE: 2152200 3.84969 -104.695 -59.2735 -104.694 76.9116 56.948 -59.2738 56.9488 126.865 GPRESSURE: 2152200 46.8484 -69.0792 -123.263 -106.928 112.15 84.4268 35.1939 80.8328 145.735 PRESSAVG: 2152200 17.9761 4.0668 6.87752 4.06679 -22.4724 65.5008 6.87748 65.5009 25.9767 GPRESSAVG: 2152200 18.4942 5.1021 6.5568 5.58093 -23.6394 66.8662 8.73693 66.7785 26.5197 TIMING: 2152200 CPU: 6487.91, 0.00302085/step Wall: 6487.91, 0.00302085/step, 2.38966 hours remaining, 209.699219 MB of memory in use. ENERGY: 2152200 776.2812 2079.5918 1905.8082 114.3102 -206572.4744 17950.5892 0.0000 0.0000 34162.5779 -149583.3159 298.3503 -183745.8938 -149480.3897 298.2519 69.2087 101.5779 556206.1969 7.1601 7.1248 LDB: ============= START OF LOAD BALANCING ============== 6491.43 LDB: ============== END OF LOAD BALANCING =============== 6491.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6491.43 LDB: ============= START OF LOAD BALANCING ============== 6491.73 LDB: Largest compute 4801 load 0.028712 is 24.3% of average load 0.118081 LDB: Average compute 0.001733 is 1.5% of average load 0.118081 LDB: TIME 6491.74 LOAD: AVG 0.118081 MAX 0.209564 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.227 MB LDB: TIME 6491.74 LOAD: AVG 0.118081 MAX 0.209564 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.43 MB LDB: TIME 6491.74 LOAD: AVG 0.118081 MAX 0.209564 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.43 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6491.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6491.74 PRESSURE: 2152400 -367.161 37.9881 -40.2273 37.9876 75.8116 163.935 -40.2279 163.937 -63.9004 GPRESSURE: 2152400 -335.141 46.2292 -58.7705 -7.73704 78.3147 233.85 -110.407 179.359 3.64367 PRESSAVG: 2152400 34.825 -16.2054 -37.92 -16.2053 -44.5044 58.9314 -37.92 58.9314 -12.9096 GPRESSAVG: 2152400 33.5062 -14.6935 -36.1195 -18.6274 -43.7861 57.81 -40.4719 57.6643 -12.9503 TIMING: 2152400 CPU: 6488.53, 0.00308946/step Wall: 6488.53, 0.00308946/step, 2.44377 hours remaining, 209.257812 MB of memory in use. ENERGY: 2152400 742.2446 2074.3155 1919.9498 104.3386 -206251.6091 17618.8625 0.0000 0.0000 34300.5293 -149491.3688 299.5551 -183791.8981 -149390.1012 298.4486 -118.4167 -84.3943 557513.9229 -7.5296 -7.7434 PRESSURE: 2152600 259.998 -13.0767 167.262 -13.0776 -69.8143 -49.4648 167.261 -49.4657 209.888 GPRESSURE: 2152600 318.398 -93.9224 216.85 20.0003 -57.8213 -3.36823 147.649 -119.958 238.492 PRESSAVG: 2152600 49.9679 -69.3332 9.86781 -69.3333 -76.0496 -0.265789 9.86776 -0.265928 83.4324 GPRESSAVG: 2152600 51.4512 -71.9692 7.5473 -68.9721 -76.7671 1.32889 9.93099 0.242943 82.9525 TIMING: 2152600 CPU: 6489.14, 0.00305229/step Wall: 6489.14, 0.00305229/step, 2.41419 hours remaining, 209.257812 MB of memory in use. ENERGY: 2152600 709.8357 2112.1487 1924.2560 105.8844 -206154.2103 17969.3578 0.0000 0.0000 33918.4795 -149414.2481 296.2185 -183332.7276 -149315.1707 298.2354 133.3571 166.3564 557516.9680 19.1169 19.2122 PRESSURE: 2152800 -22.9088 15.07 30.5664 15.0708 104.188 -20.1635 30.5667 -20.1625 -72.2762 GPRESSURE: 2152800 -20.6555 0.371233 -21.7512 32.1268 87.1651 -114.479 62.8049 26.8264 53.5798 PRESSAVG: 2152800 14.8216 -8.78227 54.1583 -8.78231 -36.5431 15.3237 54.1583 15.3238 -38.95 GPRESSAVG: 2152800 13.967 -6.13286 56.0152 -7.55901 -35.7535 14.2132 53.5222 15.091 -39.21 TIMING: 2152800 CPU: 6489.74, 0.00300181/step Wall: 6489.74, 0.00300181/step, 2.3741 hours remaining, 209.257812 MB of memory in use. ENERGY: 2152800 749.6962 2097.2042 1933.9386 122.9246 -206582.8518 17986.6385 0.0000 0.0000 34185.1501 -149507.2996 298.5474 -183692.4497 -149409.7782 298.7460 3.0010 40.0298 558146.5384 -20.2238 -20.3322 PRESSURE: 2153000 -110.74 6.80212 233.675 6.80276 93.3907 -89.948 233.676 -89.9488 -102.47 GPRESSURE: 2153000 -70.0979 -83.3844 327.235 -18.534 151.444 -125.848 134.323 -71.6465 -114.082 PRESSAVG: 2153000 30.6942 -43.1121 24.568 -43.1121 -10.6886 -14.0226 24.5679 -14.0225 -33.9014 GPRESSAVG: 2153000 29.5885 -45.2786 23.4569 -44.1005 -9.80822 -15.7286 25.0388 -13.764 -33.5075 TIMING: 2153000 CPU: 6490.34, 0.00301716/step Wall: 6490.34, 0.00301716/step, 2.38607 hours remaining, 209.257812 MB of memory in use. ENERGY: 2153000 761.9021 2024.4583 1916.8831 109.0192 -206301.1730 17869.5632 0.0000 0.0000 34188.0643 -149431.2829 298.5729 -183619.3471 -149332.0270 298.9471 -39.9399 -10.9120 556997.2868 -4.6319 -4.5757 PRESSURE: 2153200 6.50433 28.3843 -75.7622 28.3841 -140.925 6.29461 -75.7624 6.29454 255.288 GPRESSURE: 2153200 15.0279 54.9787 -191.155 55.2856 -59.4071 -28.3131 -78.2963 55.1122 270.672 PRESSAVG: 2153200 41.3743 15.325 5.17795 15.3249 -32.1384 27.4693 5.17797 27.4693 30.7348 GPRESSAVG: 2153200 42.6504 15.9239 3.6663 16.597 -32.9326 30.6552 5.23401 26.9483 29.9318 TIMING: 2153200 CPU: 6490.94, 0.00299555/step Wall: 6490.94, 0.00299555/step, 2.36881 hours remaining, 209.257812 MB of memory in use. ENERGY: 2153200 744.9765 2016.1255 1896.9923 113.1857 -206296.5825 17856.1832 0.0000 0.0000 34258.8305 -149410.2888 299.1909 -183669.1193 -149317.7896 299.5089 40.2888 75.4309 556773.8653 13.3235 13.2165 PRESSURE: 2153400 -91.5699 42.651 20.1376 42.6513 72.8981 -25.8655 20.1372 -25.8656 6.35303 GPRESSURE: 2153400 -78.0942 46.2567 67.0134 -2.07328 78.3235 -52.0617 98.3787 -65.4123 82.6147 PRESSAVG: 2153400 11.4713 50.7945 4.36706 50.7943 -41.0994 6.65888 4.36711 6.65877 40.874 GPRESSAVG: 2153400 10.1019 51.6569 7.19268 50.4002 -40.2986 8.31038 2.52429 6.0989 41.3316 TIMING: 2153400 CPU: 6491.54, 0.00301343/step Wall: 6491.54, 0.00301343/step, 2.38279 hours remaining, 209.257812 MB of memory in use. ENERGY: 2153400 728.9684 2046.5774 1909.6483 103.7765 -206433.3497 17827.1325 0.0000 0.0000 34371.0563 -149446.1904 300.1710 -183817.2467 -149356.8360 298.8116 -4.1062 27.6147 556264.5214 3.7487 3.7117 PRESSURE: 2153600 43.7081 47.3822 5.04544 47.3822 127.203 -59.9892 5.04515 -59.991 26.6481 GPRESSURE: 2153600 174.167 14.1519 54.7812 70.3656 138.081 4.70891 -33.5568 -95.9957 -13.5431 PRESSAVG: 2153600 35.9812 -9.65134 25.8895 -9.65136 -27.1142 10.2552 25.8896 10.2551 -2.45627 GPRESSAVG: 2153600 36.8387 -10.8809 24.768 -8.92313 -27.2345 8.97444 29.2315 10.0839 -2.90873 TIMING: 2153600 CPU: 6492.15, 0.00303568/step Wall: 6492.15, 0.00303568/step, 2.40021 hours remaining, 209.257812 MB of memory in use. ENERGY: 2153600 775.3762 2081.1326 1935.7919 107.9141 -206375.6593 17921.1877 0.0000 0.0000 34114.8005 -149439.4564 297.9330 -183554.2569 -149346.6150 298.4429 65.8531 99.5684 555600.0118 2.1369 2.2318 PRESSURE: 2153800 168.636 -29.5276 74.8578 -29.5266 -86.9805 110.904 74.8586 110.903 153.878 GPRESSURE: 2153800 214.865 -54.5588 108.14 -40.697 -37.2904 91.6005 -8.58348 176.548 137.688 PRESSAVG: 2153800 55.0289 -20.0705 -4.56096 -20.0705 -2.37062 23.0067 -4.56095 23.0069 -33.2405 GPRESSAVG: 2153800 55.6067 -18.8483 -5.58239 -20.6978 -2.51578 21.9883 -6.80463 23.3259 -33.7304 TIMING: 2153800 CPU: 6492.76, 0.00306021/step Wall: 6492.76, 0.00306021/step, 2.41944 hours remaining, 209.257812 MB of memory in use. ENERGY: 2153800 744.8463 2130.7294 1928.5086 115.9416 -206303.3874 17811.3846 0.0000 0.0000 34052.6454 -149519.3316 297.3902 -183571.9769 -149421.9369 299.0622 78.5112 105.0876 554676.2727 6.4726 6.4535 PRESSURE: 2154000 -9.36072 122.486 -33.5276 122.484 180.58 -108.236 -33.5279 -108.236 -173.9 GPRESSURE: 2154000 -30.284 69.7854 -25.6779 189.143 231.906 -55.4205 -59.9701 -221.747 -101.552 PRESSAVG: 2154000 12.5456 -47.1668 -2.35233 -47.1668 -33.878 -38.1015 -2.35238 -38.1015 3.66354 GPRESSAVG: 2154000 11.2281 -46.0868 1.01687 -48.2457 -34.5724 -39.6554 -4.67488 -35.2753 5.89548 TIMING: 2154000 CPU: 6493.38, 0.00306767/step Wall: 6493.38, 0.00306767/step, 2.42516 hours remaining, 209.257812 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: 2154000 769.2960 2091.2291 1950.0484 119.1332 -207030.4189 18117.7240 0.0000 0.0000 34293.8980 -149689.0901 299.4971 -183982.9881 -149593.6968 298.5191 -0.8937 33.3565 555671.1032 -5.8896 -5.8163 PRESSURE: 2154200 -14.9392 155.928 -157.127 155.927 -325.408 4.04055 -157.127 4.03962 6.46927 GPRESSURE: 2154200 -2.79744 161.941 -122.498 164.239 -222.756 10.8073 -188.39 -77.9796 -1.84135 PRESSAVG: 2154200 39.8761 3.894 -4.15146 3.89401 15.1057 -15.9262 -4.15145 -15.9262 -64.4903 GPRESSAVG: 2154200 39.8185 1.72614 -7.20252 4.66793 15.9772 -14.8373 -1.37866 -19.6052 -64.4449 TIMING: 2154200 CPU: 6493.98, 0.00301548/step Wall: 6493.98, 0.00301548/step, 2.38374 hours remaining, 209.257812 MB of memory in use. ENERGY: 2154200 746.4661 2143.0559 1951.8118 103.6614 -206661.3017 17831.0841 0.0000 0.0000 34251.5913 -149633.6312 299.1277 -183885.2225 -149535.5656 298.4238 -111.2925 -75.7984 556893.2245 -3.1695 -2.8831 PRESSURE: 2154400 76.4472 70.3219 27.0289 70.3235 -104.335 -63.3506 27.0291 -63.3499 115.291 GPRESSURE: 2154400 88.0986 98.6331 17.4856 26.6403 -30.3418 -61.1013 21.3426 -66.3952 125.521 PRESSAVG: 2154400 45.6307 6.02556 -31.5935 6.02561 -11.5355 -56.2334 -31.5934 -56.2333 27.7197 GPRESSAVG: 2154400 45.4746 8.02781 -33.4734 4.46804 -11.6335 -55.3195 -31.0606 -54.0117 27.4451 TIMING: 2154400 CPU: 6494.58, 0.00303214/step Wall: 6494.58, 0.00303214/step, 2.39674 hours remaining, 209.519531 MB of memory in use. ENERGY: 2154400 697.1915 2087.3126 1932.2331 106.1810 -206185.8085 17652.8030 0.0000 0.0000 33948.9167 -149761.1706 296.4843 -183710.0873 -149656.5254 298.6125 29.1342 61.0926 557229.9560 20.6050 20.4287 PRESSURE: 2154600 -65.3088 33.4926 -18.9836 33.4931 122.05 6.91649 -18.9842 6.91776 345.547 GPRESSURE: 2154600 15.192 35.7742 -9.09245 -49.8838 134.979 -107.486 2.65928 92.2819 347.277 PRESSAVG: 2154600 -23.6639 10.3862 56.6204 10.3861 31.3344 -22.4668 56.6204 -22.4668 11.3962 GPRESSAVG: 2154600 -23.4544 9.28652 58.756 12.9675 32.6686 -24.9658 55.575 -20.7674 10.0782 TIMING: 2154600 CPU: 6495.19, 0.00302519/step Wall: 6495.19, 0.00302519/step, 2.39108 hours remaining, 209.519531 MB of memory in use. ENERGY: 2154600 709.4258 2101.7219 1905.1029 111.9856 -206868.1100 18258.7026 0.0000 0.0000 34127.1430 -149654.0281 298.0408 -183781.1711 -149553.7393 297.6110 134.0962 165.8160 558015.0073 6.3556 6.4308 PRESSURE: 2154800 18.2748 -7.96656 -29.9209 -7.96693 -215.19 -28.1729 -29.9204 -28.1735 -106.059 GPRESSURE: 2154800 110.431 -110.976 -77.7381 -1.32557 -175.345 3.4141 -1.15083 -54.9256 -147.215 PRESSAVG: 2154800 -21.1108 6.60241 4.23314 6.60235 84.2247 25.955 4.23313 25.9551 -77.6934 GPRESSAVG: 2154800 -19.3323 6.19298 7.32225 4.36134 81.5767 27.4844 2.10099 22.8691 -76.4403 TIMING: 2154800 CPU: 6495.81, 0.00310042/step Wall: 6495.81, 0.00310042/step, 2.45036 hours remaining, 209.519531 MB of memory in use. ENERGY: 2154800 756.1949 2074.9626 1929.0209 109.8161 -206294.1398 17645.6793 0.0000 0.0000 33929.5505 -149848.9155 296.3152 -183778.4660 -149756.2620 298.0703 -100.9913 -70.7097 556537.9279 -4.8598 -4.7320 PRESSURE: 2155000 13.0064 43.8961 -278.656 43.8949 81.2924 53.9367 -278.657 53.9378 310.088 GPRESSURE: 2155000 55.2718 12.3523 -291.115 22.2318 89.4027 123.219 -236.428 66.6823 355.939 PRESSAVG: 2155000 -42.0518 -18.3616 -38.7597 -18.3616 62.5346 -11.1283 -38.7598 -11.1283 -19.497 GPRESSAVG: 2155000 -43.8373 -19.0294 -40.6923 -16.008 64.4787 -11.8309 -38.4233 -10.9363 -20.2586 TIMING: 2155000 CPU: 6496.43, 0.00310374/step Wall: 6496.43, 0.00310374/step, 2.45282 hours remaining, 209.519531 MB of memory in use. ENERGY: 2155000 756.5161 2087.7340 1926.1364 109.3504 -206877.1469 18043.7162 0.0000 0.0000 34187.7921 -149765.9017 298.5705 -183953.6939 -149675.3740 298.2264 134.7955 166.8710 555268.0224 0.3286 0.1276 PRESSURE: 2155200 -205.35 -121.403 -116.589 -121.402 24.1024 -149.66 -116.589 -149.658 -53.3029 GPRESSURE: 2155200 -121.12 -138.607 -91.35 -103.71 80.6551 -212.316 -101.256 -68.8235 -85.2782 PRESSAVG: 2155200 -59.432 48.0556 -30.9409 48.0556 19.3871 19.4586 -30.941 19.4586 -6.57181 GPRESSAVG: 2155200 -58.5942 48.4413 -31.1635 47.7213 19.1581 19.0587 -29.0287 19.8081 -7.58859 TIMING: 2155200 CPU: 6497.04, 0.00304398/step Wall: 6497.04, 0.00304398/step, 2.40542 hours remaining, 209.519531 MB of memory in use. ENERGY: 2155200 767.7003 2045.3784 1926.7290 115.5802 -206830.4267 17998.0537 0.0000 0.0000 34376.0981 -149600.8871 300.2150 -183976.9852 -149495.5155 298.1957 -78.1836 -41.9145 556912.9026 -15.5389 -15.6749 PRESSURE: 2155400 -61.277 -35.3434 42.831 -35.343 -168.557 22.8981 42.8297 22.897 -140.66 GPRESSURE: 2155400 -47.6811 -29.8847 14.4515 -54.1508 -133.768 30.7165 -9.9897 -3.77324 -94.8704 PRESSAVG: 2155400 70.449 -19.3035 -73.7765 -19.3035 0.921041 51.9204 -73.7764 51.9205 -79.2357 GPRESSAVG: 2155400 69.7955 -19.9168 -74.8144 -19.081 0.562063 53.4734 -74.288 52.1237 -78.4241 TIMING: 2155400 CPU: 6497.65, 0.00304787/step Wall: 6497.65, 0.00304787/step, 2.40833 hours remaining, 209.519531 MB of memory in use. ENERGY: 2155400 772.6467 2117.9076 1911.6378 110.6218 -206539.1930 17784.2415 0.0000 0.0000 34277.3878 -149564.7498 299.3530 -183842.1376 -149458.8092 298.7184 -123.4980 -92.1065 556624.3378 -2.6219 -2.6889 PRESSURE: 2155600 -147.262 -94.653 5.64186 -94.6532 310.717 30.3312 5.64163 30.3299 166.399 GPRESSURE: 2155600 -89.9662 -60.4163 26.7286 -78.4208 320.068 10.7984 6.28351 48.922 208.224 PRESSAVG: 2155600 0.0706017 40.9388 -33.4586 40.9388 35.9301 74.6956 -33.4586 74.6957 -2.37861 GPRESSAVG: 2155600 -0.69878 42.5112 -33.9358 38.6322 36.3882 72.2568 -34.358 76.0094 -1.72407 TIMING: 2155600 CPU: 6498.26, 0.00302945/step Wall: 6498.26, 0.00302945/step, 2.3936 hours remaining, 209.519531 MB of memory in use. ENERGY: 2155600 774.9474 2069.8245 1911.6422 114.5052 -206744.8267 18097.0278 0.0000 0.0000 34247.5189 -149529.3607 299.0921 -183776.8797 -149439.1324 298.6219 109.9513 146.1085 556541.6512 11.2074 11.3218 PRESSURE: 2155800 -20.7091 -79.5222 -179.847 -79.521 -269.079 156.462 -179.846 156.461 -111.043 GPRESSURE: 2155800 -18.905 -160.137 -282.288 -22.8687 -212.781 162.528 -139.45 129.092 -75.6341 PRESSAVG: 2155800 -66.6626 41.3497 17.0703 41.3497 43.003 40.3601 17.0704 40.3602 32.0197 GPRESSAVG: 2155800 -66.9465 41.0103 17.749 42.1546 42.622 39.5781 17.8065 40.0694 32.4623 TIMING: 2155800 CPU: 6498.86, 0.00304409/step Wall: 6498.86, 0.00304409/step, 2.405 hours remaining, 209.519531 MB of memory in use. ENERGY: 2155800 728.6042 2136.4694 1920.9495 111.9040 -206277.0244 17774.0044 0.0000 0.0000 34223.1818 -149381.9113 298.8796 -183605.0930 -149293.0056 299.3683 -133.6103 -102.4402 557042.4899 2.7867 2.7126 PRESSURE: 2156000 -241.07 -103.913 -39.7919 -103.912 -145.324 -18.0628 -39.7913 -18.0633 -45.5591 GPRESSURE: 2156000 -201.655 -181.47 -74.3792 -114.093 -65.28 -24.428 75.1537 -49.4679 -62.6181 PRESSAVG: 2156000 -13.6516 -32.9113 10.5168 -32.9114 -28.0126 27.3221 10.5166 27.3222 -12.801 GPRESSAVG: 2156000 -12.1397 -34.3018 10.5633 -30.9615 -28.4899 30.4781 11.0124 26.2637 -14.2757 TIMING: 2156000 CPU: 6499.47, 0.00305426/step Wall: 6499.47, 0.00305426/step, 2.41287 hours remaining, 209.519531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2156000 791.9126 2065.5423 1926.8900 114.7872 -206378.8568 17809.1584 0.0000 0.0000 34236.4872 -149434.0792 298.9958 -183670.5664 -149335.9952 298.6613 -143.9841 -109.8510 557827.2089 -18.1551 -18.3018 PRESSURE: 2156200 87.4134 -148.921 -58.5068 -148.92 58.055 148.145 -58.5073 148.144 52.2127 GPRESSURE: 2156200 105.311 -160.516 -93.8185 -217.9 72.0065 167.569 -130.422 128.788 108.068 PRESSAVG: 2156200 -38.7258 -55.3759 11.8158 -55.376 -13.0517 38.8277 11.8158 38.8277 64.003 GPRESSAVG: 2156200 -41.7627 -54.6486 10.5898 -57.6834 -11.6127 37.2722 12.7117 38.3204 65.0812 TIMING: 2156200 CPU: 6500.08, 0.00304211/step Wall: 6500.08, 0.00304211/step, 2.4031 hours remaining, 209.519531 MB of memory in use. ENERGY: 2156200 747.6294 2133.5082 1942.2028 117.6863 -206449.4474 17876.3446 0.0000 0.0000 34297.4595 -149334.6166 299.5282 -183632.0761 -149239.2483 298.9994 65.8937 95.1286 556563.8476 4.0752 3.9019 LDB: ============= START OF LOAD BALANCING ============== 6503.6 LDB: ============== END OF LOAD BALANCING =============== 6503.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6503.61 LDB: ============= START OF LOAD BALANCING ============== 6503.91 LDB: Largest compute 4773 load 0.027551 is 23.4% of average load 0.117990 LDB: Average compute 0.001728 is 1.5% of average load 0.117990 LDB: TIME 6503.91 LOAD: AVG 0.11799 MAX 0.208502 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.188 MB LDB: TIME 6503.91 LOAD: AVG 0.11799 MAX 0.208502 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.254 MB LDB: TIME 6503.91 LOAD: AVG 0.11799 MAX 0.208502 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.254 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6503.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6503.92 PRESSURE: 2156400 -156.026 25.6825 -76.8678 25.6828 -46.9979 -21.2219 -76.8674 -21.2204 -156.737 GPRESSURE: 2156400 -111.638 -9.99926 -70.2178 33.9251 -60.596 -96.6223 -55.8535 -32.4361 -78.8789 PRESSAVG: 2156400 41.3994 21.9437 -0.525827 21.9436 -55.2309 -37.572 -0.525776 -37.5721 46.3847 GPRESSAVG: 2156400 42.9608 21.8581 -0.801608 24.6611 -56.5096 -36.8618 -2.69429 -36.708 46.2792 TIMING: 2156400 CPU: 6500.7, 0.00310409/step Wall: 6500.7, 0.00310409/step, 2.45188 hours remaining, 209.199219 MB of memory in use. ENERGY: 2156400 767.3269 2123.8824 1947.3392 122.9946 -206243.0393 17860.5556 0.0000 0.0000 34058.1783 -149362.7624 297.4385 -183420.9407 -149269.0320 299.2078 -119.9203 -83.7042 558932.8006 10.8511 10.9101 PRESSURE: 2156600 -63.7784 -144.472 -39.3149 -144.472 -154.786 -267.834 -39.316 -267.835 106.841 GPRESSURE: 2156600 -38.4014 -155.996 -160.735 -171.773 -135.772 -266.716 -38.314 -284.27 152.154 PRESSAVG: 2156600 44.5188 -16.9829 3.16294 -16.9829 -62.3581 -18.59 3.16294 -18.5901 28.4538 GPRESSAVG: 2156600 44.0893 -17.1519 4.37842 -18.6145 -61.9601 -19.6279 3.09835 -19.1285 28.7311 TIMING: 2156600 CPU: 6501.31, 0.00304272/step Wall: 6501.31, 0.00304272/step, 2.40324 hours remaining, 209.402344 MB of memory in use. ENERGY: 2156600 760.1800 2079.4697 1914.6620 108.0802 -206272.8166 17787.8270 0.0000 0.0000 34398.5915 -149224.0062 300.4115 -183622.5977 -149127.0192 299.5896 -37.2410 -7.3398 558413.8554 3.5382 3.6201 PRESSURE: 2156800 101.011 51.4147 -0.95616 51.4143 -52.2742 -69.076 -0.956126 -69.0757 -296.969 GPRESSURE: 2156800 116.954 -11.1967 -76.5834 93.4124 -56.0271 -27.4059 57.0981 -38.6974 -224.818 PRESSAVG: 2156800 30.5972 -19.0697 13.3702 -19.0697 -24.2546 9.6885 13.3702 9.68859 46.9642 GPRESSAVG: 2156800 31.4022 -17.2808 13.3588 -22.1432 -24.0528 10.394 13.6735 9.23113 45.9258 TIMING: 2156800 CPU: 6501.92, 0.00301425/step Wall: 6501.92, 0.00301425/step, 2.38059 hours remaining, 209.402344 MB of memory in use. ENERGY: 2156800 782.2604 2069.0814 1923.9997 113.3047 -206496.8477 17898.6279 0.0000 0.0000 34367.8132 -149341.7605 300.1427 -183709.5736 -149234.6550 299.7747 -82.7440 -54.6305 557021.6446 17.7689 17.7584 PRESSURE: 2157000 272.112 -65.1289 -148.179 -65.1292 268.327 -95.7332 -148.178 -95.7343 52.3725 GPRESSURE: 2157000 298.031 -84.7426 -151.87 -109.166 308.15 -157.128 -147.54 -11.1077 86.0106 PRESSAVG: 2157000 18.9515 53.6206 -18.2872 53.6206 -16.9808 -19.1187 -18.2872 -19.1188 -38.7924 GPRESSAVG: 2157000 19.6053 52.7648 -17.3114 56.9652 -17.3705 -19.6648 -17.753 -18.8036 -39.5174 TIMING: 2157000 CPU: 6502.52, 0.00301291/step Wall: 6502.52, 0.00301291/step, 2.37936 hours remaining, 209.402344 MB of memory in use. ENERGY: 2157000 782.8475 2134.2822 1929.5587 130.2908 -206810.3552 18075.5522 0.0000 0.0000 34325.9209 -149431.9029 299.7768 -183757.8238 -149333.5286 298.8072 197.6039 230.7308 556048.4541 -12.2739 -12.4276 PRESSURE: 2157200 -18.7004 96.9413 50.687 96.942 181.712 122.931 50.6864 122.93 -145.655 GPRESSURE: 2157200 17.8417 82.689 16.6294 123.016 233.428 129.435 39.7943 83.218 -148.795 PRESSAVG: 2157200 32.6366 19.2981 -21.8623 19.2981 53.0847 -29.8458 -21.8624 -29.8458 -54.5854 GPRESSAVG: 2157200 31.6755 18.7515 -23.5351 18.4537 53.5167 -29.2442 -22.7378 -30.4227 -54.4225 TIMING: 2157200 CPU: 6503.12, 0.00300216/step Wall: 6503.12, 0.00300216/step, 2.37071 hours remaining, 209.402344 MB of memory in use. ENERGY: 2157200 749.8254 2111.8826 1911.1060 113.8381 -206542.5933 17830.1693 0.0000 0.0000 34216.4154 -149609.3567 298.8205 -183825.7720 -149506.3410 298.6081 5.7854 34.1583 557247.5241 10.3786 10.2565 PRESSURE: 2157400 199.734 -219.575 -43.245 -219.577 39.2578 138.814 -43.245 138.814 -142.414 GPRESSURE: 2157400 235.532 -286.155 -37.8214 -131.408 36.974 79.77 48.0617 202.186 -81.3266 PRESSAVG: 2157400 31.9762 -5.37668 0.0137497 -5.37663 9.24608 -0.0802568 0.0137455 -0.0802978 -37.466 GPRESSAVG: 2157400 31.7108 -5.01645 -0.274357 -6.96194 8.94125 0.012524 0.0443117 -0.0253039 -36.8759 TIMING: 2157400 CPU: 6503.72, 0.00301237/step Wall: 6503.72, 0.00301237/step, 2.3786 hours remaining, 209.402344 MB of memory in use. ENERGY: 2157400 729.9467 2056.1414 1926.6666 114.8459 -206625.3936 17931.7603 0.0000 0.0000 34267.0487 -149598.9841 299.2627 -183866.0328 -149501.1962 298.7041 32.1926 63.7263 555503.2703 1.2521 1.2587 PRESSURE: 2157600 -140.905 -63.3113 -110.122 -63.3117 22.4811 -34.7295 -110.122 -34.729 3.63149 GPRESSURE: 2157600 -126.206 -94.9761 -152.342 -94.5858 65.4189 -62.6537 -57.1157 48.8792 40.2368 PRESSAVG: 2157600 32.1419 -6.11867 -27.5565 -6.11861 48.2056 57.8146 -27.5565 57.8145 -22.511 GPRESSAVG: 2157600 30.7392 -7.0722 -28.6873 -2.2018 49.9155 56.8382 -25.7992 59.0734 -22.5424 TIMING: 2157600 CPU: 6504.32, 0.00301955/step Wall: 6504.32, 0.00301956/step, 2.38411 hours remaining, 209.402344 MB of memory in use. ENERGY: 2157600 788.7426 2077.3108 1945.1997 114.7111 -206613.5510 17792.5876 0.0000 0.0000 34230.0734 -149664.9259 298.9397 -183894.9992 -149559.2605 298.1840 -38.2640 -6.8502 555415.1554 19.2789 19.3708 PRESSURE: 2157800 102.07 -71.7674 74.2979 -71.7693 45.2617 -94.2351 74.2971 -94.2358 224.396 GPRESSURE: 2157800 92.8055 -66.0849 109.635 2.37058 125.966 -147.267 63.5354 -157.444 241.327 PRESSAVG: 2157800 -34.0415 -25.6017 -46.2146 -25.6017 -0.236985 19.6906 -46.2146 19.6904 -10.4324 GPRESSAVG: 2157800 -33.5267 -23.5615 -43.8652 -27.3908 -0.156331 20.5237 -48.5261 17.8918 -10.5601 TIMING: 2157800 CPU: 6504.92, 0.0029992/step Wall: 6504.92, 0.0029992/step, 2.36787 hours remaining, 209.402344 MB of memory in use. ENERGY: 2157800 750.3990 2115.5991 1914.0875 101.0913 -206872.9168 18102.5970 0.0000 0.0000 34231.4800 -149657.6629 298.9520 -183889.1430 -149552.0185 298.4498 123.9094 153.3662 555231.9288 -14.9036 -14.7477 PRESSURE: 2158000 144.537 63.1867 46.3917 63.1872 71.5116 64.5438 46.3916 64.5434 19.3372 GPRESSURE: 2158000 153.203 -31.5845 148.94 133.789 132.401 22.5401 -63.6404 13.5505 49.09 PRESSAVG: 2158000 1.08691 -29.2165 27.5652 -29.2165 4.69829 6.45336 27.5652 6.45326 20.7798 GPRESSAVG: 2158000 1.96536 -28.7921 25.8065 -30.9478 4.69875 6.36416 28.241 8.36343 19.6624 TIMING: 2158000 CPU: 6505.52, 0.00298987/step Wall: 6505.52, 0.00298987/step, 2.36033 hours remaining, 209.402344 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: 2158000 754.3856 2088.0004 1908.9936 120.7476 -206484.2519 18009.9008 0.0000 0.0000 33999.4603 -149602.7637 296.9257 -183602.2240 -149506.9492 298.8149 78.4620 111.5646 555695.5229 8.8550 8.7755 PRESSURE: 2158200 -278.636 82.4642 -36.8856 82.4639 -206.132 61.1098 -36.885 61.111 -23.2537 GPRESSURE: 2158200 -223.546 67.2325 18.5027 63.9479 -182.334 109.051 -48.3525 -36.0288 -22.2249 PRESSAVG: 2158200 -14.8012 -22.0316 -4.62402 -22.0316 28.2742 23.1822 -4.6241 23.1822 18.1897 GPRESSAVG: 2158200 -15.3005 -23.4811 -3.82233 -21.5804 27.541 24.2079 -5.76283 21.1278 18.9948 TIMING: 2158200 CPU: 6506.12, 0.00300259/step Wall: 6506.12, 0.00300259/step, 2.37021 hours remaining, 209.402344 MB of memory in use. ENERGY: 2158200 788.9143 2085.0323 1890.2147 119.8707 -206234.2139 17623.8418 0.0000 0.0000 34261.0053 -149465.3349 299.2099 -183726.3402 -149372.2338 298.3612 -169.3405 -142.7015 557673.2085 10.5543 10.4118 PRESSURE: 2158400 78.6849 -38.8103 139.875 -38.8097 126.055 -86.5777 139.875 -86.5762 13.6137 GPRESSURE: 2158400 147.487 -34.8298 98.0388 -41.2015 157.964 -73.9489 121.843 -36.5412 18.5141 PRESSAVG: 2158400 -20.2985 3.22205 20.2983 3.22198 19.2912 57.0268 20.2983 57.0268 -30.0204 GPRESSAVG: 2158400 -20.4002 1.96704 19.7262 3.11346 19.805 57.909 23.2693 59.383 -30.2345 TIMING: 2158400 CPU: 6506.72, 0.00299087/step Wall: 6506.72, 0.00299087/step, 2.36079 hours remaining, 209.402344 MB of memory in use. ENERGY: 2158400 776.7023 2138.2600 1896.3388 118.8221 -206561.4155 17909.9174 0.0000 0.0000 34228.0046 -149493.3704 298.9217 -183721.3750 -149400.2298 298.4135 72.7846 107.9883 556030.1908 -10.3426 -10.2766 PRESSURE: 2158600 11.5973 31.0873 -15.7561 31.0867 -263.475 85.047 -15.7576 85.0459 -118.116 GPRESSURE: 2158600 35.4547 72.1407 27.7946 -11.0091 -214.432 44.1654 -46.9589 114.083 -95.9106 PRESSAVG: 2158600 26.1419 11.7733 70.9191 11.7732 28.8855 3.6135 70.9191 3.61348 -69.0273 GPRESSAVG: 2158600 25.2275 13.0593 70.015 11.2737 29.6491 0.854886 69.903 3.13529 -69.0175 TIMING: 2158600 CPU: 6507.32, 0.00298622/step Wall: 6507.32, 0.00298622/step, 2.35695 hours remaining, 209.402344 MB of memory in use. ENERGY: 2158600 745.0288 2056.2349 1909.8318 118.5833 -206451.8926 17676.9687 0.0000 0.0000 34362.2857 -149582.9593 300.0944 -183945.2449 -149479.5463 299.1382 -123.3313 -91.6294 556551.3000 -4.6666 -4.7136 PRESSURE: 2158800 -17.1449 106.968 3.62421 106.969 -127.49 -78.7968 3.62378 -78.7966 157.704 GPRESSURE: 2158800 60.4782 69.4354 -72.7936 125.519 -73.7069 -70.0435 -15.8715 -60.5368 114.375 PRESSAVG: 2158800 3.97219 -1.51081 3.28388 -1.5109 24.0583 28.5621 3.28374 28.562 -31.1871 GPRESSAVG: 2158800 3.85045 -2.57586 5.10364 -1.14552 23.1157 29.6473 1.61703 29.9256 -30.7131 TIMING: 2158800 CPU: 6507.92, 0.00300837/step Wall: 6507.92, 0.00300837/step, 2.37427 hours remaining, 209.402344 MB of memory in use. ENERGY: 2158800 777.5868 2078.3650 1924.7978 113.7688 -206175.1056 17876.2517 0.0000 0.0000 34044.7188 -149359.6167 297.3210 -183404.3354 -149260.6625 298.5630 4.3563 33.7154 557370.6865 -1.0522 -1.2490 PRESSURE: 2159000 -82.2757 -39.2692 -123.013 -39.2681 168.587 72.0367 -123.014 72.0354 16.9344 GPRESSURE: 2159000 -14.1961 -46.968 -29.8754 -41.0638 195.913 90.6194 -58.6709 106.941 15.7621 PRESSAVG: 2159000 -14.4571 16.6558 -55.2922 16.6558 85.7233 47.5387 -55.2921 47.5387 -48.6074 GPRESSAVG: 2159000 -13.8707 19.1111 -52.9155 16.0547 85.1804 48.3514 -55.2836 46.5062 -48.9507 TIMING: 2159000 CPU: 6508.52, 0.00301484/step Wall: 6508.52, 0.00301484/step, 2.37921 hours remaining, 209.402344 MB of memory in use. ENERGY: 2159000 744.3471 2083.9102 1935.3311 121.3821 -206158.0995 17658.0939 0.0000 0.0000 34289.2806 -149325.7544 299.4568 -183615.0351 -149225.7859 299.1978 34.4154 65.8263 555948.3645 7.5529 7.4530 PRESSURE: 2159200 -244.174 -217.29 -81.4577 -217.289 -266.049 -266.237 -81.4588 -266.238 -288.443 GPRESSURE: 2159200 -215.424 -236.4 -83.0307 -337.838 -199.753 -258.551 -104.056 -271.899 -288.286 PRESSAVG: 2159200 -66.5447 -53.0529 -22.7409 -53.0528 51.2539 8.92463 -22.7409 8.92469 1.07476 GPRESSAVG: 2159200 -66.6804 -54.4057 -25.2402 -52.2155 51.326 7.6507 -21.5472 8.88277 1.44489 TIMING: 2159200 CPU: 6509.13, 0.00302431/step Wall: 6509.13, 0.00302431/step, 2.38652 hours remaining, 209.402344 MB of memory in use. ENERGY: 2159200 736.8682 2081.9416 1932.7506 121.9396 -206400.0960 17553.4647 0.0000 0.0000 34539.9943 -149433.1370 301.6464 -183973.1313 -149330.4344 299.8728 -266.2223 -234.4875 557507.5627 -4.7387 -4.6365 PRESSURE: 2159400 -115.49 -189.39 -114.459 -189.389 -81.5586 63.0753 -114.458 63.0752 -122.829 GPRESSURE: 2159400 -100.088 -165.33 -127.931 -85.1082 -63.4626 73.4779 -129.96 61.3909 -61.471 PRESSAVG: 2159400 3.38553 -38.1087 42.1875 -38.1088 45.605 -9.18714 42.1875 -9.18709 -25.9349 GPRESSAVG: 2159400 3.14012 -37.8134 40.5357 -37.4478 45.4225 -10.1576 43.6319 -11.7021 -25.717 TIMING: 2159400 CPU: 6509.73, 0.00301638/step Wall: 6509.73, 0.00301638/step, 2.38009 hours remaining, 209.402344 MB of memory in use. ENERGY: 2159400 764.4108 2063.0548 1904.4941 114.6833 -206073.2461 17563.3707 0.0000 0.0000 34186.5694 -149476.6629 298.5598 -183663.2323 -149377.0609 299.1736 -106.6259 -75.0073 555561.0165 7.6852 7.6152 PRESSURE: 2159600 -344.355 86.8275 266.986 86.8272 108.504 138.347 266.986 138.347 -75.0408 GPRESSURE: 2159600 -311.736 37.9573 304.227 125.183 116.349 81.8362 307.714 136.58 -22.4839 PRESSAVG: 2159600 -42.7578 -11.4171 -11.0828 -11.4171 4.98785 13.0923 -11.0829 13.0923 52.0475 GPRESSAVG: 2159600 -40.6495 -13.7296 -7.10555 -12.027 5.06524 12.0429 -12.7286 13.8253 49.7173 TIMING: 2159600 CPU: 6510.34, 0.00304459/step Wall: 6510.34, 0.00304459/step, 2.40218 hours remaining, 209.402344 MB of memory in use. ENERGY: 2159600 764.3382 2109.0758 1913.1824 125.1642 -206257.4319 17663.4355 0.0000 0.0000 34202.9496 -149479.2863 298.7029 -183682.2359 -149384.1887 298.1649 -103.6306 -72.6237 556519.3603 4.7592 4.7110 PRESSURE: 2159800 65.1703 -91.3909 -78.8861 -91.3913 116.017 125.991 -78.8854 125.991 -194.994 GPRESSURE: 2159800 57.2243 -104.924 -91.6406 19.5648 97.0362 159.185 -9.41844 38.4465 -73.5237 PRESSAVG: 2159800 -17.1944 -24.8916 -2.23557 -24.8917 -7.71742 63.6115 -2.23559 63.6116 22.2426 GPRESSAVG: 2159800 -19.5081 -22.4986 -5.85551 -24.783 -6.79599 66.3444 -0.27736 64.2369 23.2493 TIMING: 2159800 CPU: 6510.95, 0.00304156/step Wall: 6510.95, 0.00304156/step, 2.39962 hours remaining, 209.402344 MB of memory in use. ENERGY: 2159800 731.4397 2097.7692 1945.1468 117.0125 -206091.5854 17754.3109 0.0000 0.0000 34046.8502 -149399.0561 297.3396 -183445.9063 -149300.4703 298.7177 -4.6022 26.9123 557032.6560 -0.8897 -1.0183 PRESSURE: 2160000 98.2528 -15.5199 -171.951 -15.5191 -88.0959 -37.3299 -171.951 -37.3309 -132.727 GPRESSURE: 2160000 132.517 -22.8157 -200.238 -13.3432 27.8147 -29.884 -143.331 -88.4508 -189.352 PRESSAVG: 2160000 -9.15374 12.9337 -20.5029 12.9338 -3.96937 19.588 -20.5028 19.5881 -5.22514 GPRESSAVG: 2160000 -8.93416 13.4296 -19.0996 12.0704 -5.23448 17.133 -21.9673 21.0514 -4.19491 TIMING: 2160000 CPU: 6511.55, 0.00301463/step Wall: 6511.55, 0.00301463/step, 2.37821 hours remaining, 209.402344 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: 2160000 754.9491 2070.1795 1919.5365 121.2497 -205878.6931 17549.8326 0.0000 0.0000 34132.4679 -149330.4779 298.0873 -183462.9458 -149238.7249 298.1651 -40.8567 -9.6732 557232.6306 -6.1161 -6.1212 PRESSURE: 2160200 -167.341 -6.76628 -291.249 -6.76459 -275.539 66.6349 -291.248 66.6361 -216.202 GPRESSURE: 2160200 -188.137 62.7611 -271.021 -45.6968 -183.286 99.3363 -309.235 1.66969 -192.838 PRESSAVG: 2160200 22.1793 3.73533 -30.3614 3.73532 29.5274 48.318 -30.3613 48.3181 -18.8961 GPRESSAVG: 2160200 22.4094 2.60967 -27.5855 2.76243 31.0508 49.9096 -30.5454 46.3417 -19.9013 TIMING: 2160200 CPU: 6512.16, 0.00303847/step Wall: 6512.16, 0.00303847/step, 2.39685 hours remaining, 209.402344 MB of memory in use. ENERGY: 2160200 774.3839 2099.7847 1918.2787 110.4754 -206017.1871 17500.4923 0.0000 0.0000 34285.9565 -149327.8156 299.4278 -183613.7721 -149233.5310 298.3141 -219.6941 -188.0869 557273.4177 10.9369 11.1863 LDB: ============= START OF LOAD BALANCING ============== 6515.68 LDB: ============== END OF LOAD BALANCING =============== 6515.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6515.68 LDB: ============= START OF LOAD BALANCING ============== 6515.99 LDB: Largest compute 4800 load 0.029949 is 25.4% of average load 0.118013 LDB: Average compute 0.001738 is 1.5% of average load 0.118013 LDB: TIME 6515.99 LOAD: AVG 0.118013 MAX 0.207372 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.48 MB LDB: TIME 6515.99 LOAD: AVG 0.118013 MAX 0.207372 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.484 MB LDB: TIME 6515.99 LOAD: AVG 0.118013 MAX 0.207372 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.484 MB LDB: ============== END OF LOAD BALANCING =============== 6515.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6516 PRESSURE: 2160400 202.966 -57.522 -64.5599 -57.5215 474.769 153.739 -64.5611 153.74 5.85506 GPRESSURE: 2160400 215.564 -73.8521 -13.9387 8.59299 530.351 168.905 -90.9122 116.087 47.6201 PRESSAVG: 2160400 35.9126 -24.6596 -45.1775 -24.6596 21.6451 -19.159 -45.1775 -19.159 -84.8084 GPRESSAVG: 2160400 37.9138 -23.6547 -47.1008 -22.9788 21.3797 -18.5798 -46.0103 -18.5071 -86.0764 TIMING: 2160400 CPU: 6512.78, 0.00310122/step Wall: 6512.78, 0.00310122/step, 2.44618 hours remaining, 208.449219 MB of memory in use. ENERGY: 2160400 751.0939 2132.3547 1932.6112 103.1433 -206484.0835 18113.2168 0.0000 0.0000 34059.2023 -149392.4613 297.4475 -183451.6636 -149295.4364 298.5964 227.8633 264.5118 554946.8757 -9.0836 -8.9276 PRESSURE: 2160600 -253.748 8.99781 157.05 8.99844 247.496 -231.792 157.05 -231.791 193.715 GPRESSURE: 2160600 -187.361 77.8631 192.792 -87.5776 235.67 -185.529 135.43 -222.055 237.684 PRESSAVG: 2160600 -6.73218 -9.2198 2.89387 -9.21984 -0.204836 38.0539 2.89397 38.0539 -17.1331 GPRESSAVG: 2160600 -8.54317 -9.86259 3.73057 -9.31573 -0.50684 38.744 4.71138 36.2838 -15.569 TIMING: 2160600 CPU: 6513.38, 0.00298253/step Wall: 6513.38, 0.00298254/step, 2.35239 hours remaining, 208.449219 MB of memory in use. ENERGY: 2160600 726.2941 2087.5075 1934.6575 101.3232 -206192.6482 17774.8471 0.0000 0.0000 34275.0590 -149292.9599 299.3326 -183568.0189 -149201.1071 299.0858 62.4877 95.3310 555956.6409 -8.0234 -8.2063 PRESSURE: 2160800 -54.7461 -174.937 -53.6291 -174.937 -14.972 47.3822 -53.6285 47.3823 83.6312 GPRESSURE: 2160800 -65.7957 -167.932 12.4232 -151.53 36.6352 33.8336 -17.0112 20.2853 141.652 PRESSAVG: 2160800 -57.5049 8.66239 47.3421 8.6624 28.17 -65.5776 47.342 -65.5777 58.301 GPRESSAVG: 2160800 -57.049 7.4489 45.5896 9.56538 27.4773 -67.373 45.5258 -61.2253 58.0855 TIMING: 2160800 CPU: 6513.98, 0.00300529/step Wall: 6513.98, 0.00300529/step, 2.37017 hours remaining, 208.449219 MB of memory in use. ENERGY: 2160800 680.4952 2096.5511 1955.6883 123.7086 -206341.3050 17906.4647 0.0000 0.0000 34303.3685 -149275.0286 299.5798 -183578.3971 -149177.5953 298.8892 4.6377 37.4971 557663.5982 9.6553 9.5046 PRESSURE: 2161000 -95.8259 -37.3475 15.25 -37.3486 -13.8939 -99.1661 15.2489 -99.1658 174.265 GPRESSURE: 2161000 -41.1757 -32.8401 31.7781 -84.3199 29.0019 -184.641 24.4358 -50.6986 174.669 PRESSAVG: 2161000 -34.1571 -13.8492 49.9121 -13.8494 5.8084 47.6017 49.9121 47.6017 84.0163 GPRESSAVG: 2161000 -33.8759 -13.4708 47.8863 -13.8571 5.35598 48.5288 52.6276 43.9254 83.7862 TIMING: 2161000 CPU: 6514.58, 0.00302233/step Wall: 6514.58, 0.00302233/step, 2.38344 hours remaining, 208.449219 MB of memory in use. ENERGY: 2161000 690.6358 2143.7110 1978.2827 102.4984 -206160.3122 17850.2545 0.0000 0.0000 34219.7374 -149175.1924 298.8495 -183394.9298 -149081.1581 298.5915 21.5151 54.1650 558317.3987 18.5559 18.4221 PRESSURE: 2161200 -96.151 -17.8286 174.279 -17.8279 -78.0482 -56.6981 174.279 -56.6998 -28.4099 GPRESSURE: 2161200 -67.7409 -23.9056 152.537 -28.9178 -71.3936 25.0178 207.119 -38.9972 24.28 PRESSAVG: 2161200 18.4162 27.0432 29.9879 27.0432 -12.9236 -79.6887 29.988 -79.6887 3.34366 GPRESSAVG: 2161200 18.5033 27.9536 31.0216 25.058 -12.9615 -80.0703 29.1703 -78.0298 3.23051 TIMING: 2161200 CPU: 6515.18, 0.00301684/step Wall: 6515.18, 0.00301684/step, 2.37895 hours remaining, 208.449219 MB of memory in use. ENERGY: 2161200 712.2437 2106.8957 1953.9437 111.1962 -206010.8373 17793.1289 0.0000 0.0000 34275.3162 -149058.1130 299.3349 -183333.4292 -148969.9669 299.4353 -67.5364 -38.2848 560073.8364 2.9454 2.9241 PRESSURE: 2161400 -153.919 161 -2.63533 161 168.636 -38.8399 -2.63391 -38.8403 -283.449 GPRESSURE: 2161400 -177.287 83.7324 -26.6852 233.886 250.474 -56.895 45.4707 -26.0772 -255.279 PRESSAVG: 2161400 -44.0175 -30.9265 -3.67982 -30.9265 77.6005 -64.508 -3.6798 -64.5079 17.6906 GPRESSAVG: 2161400 -43.824 -31.8985 -1.82296 -28.8232 78.0261 -61.954 -3.48162 -66.7994 16.7465 TIMING: 2161400 CPU: 6515.79, 0.00302737/step Wall: 6515.79, 0.00302737/step, 2.38708 hours remaining, 208.449219 MB of memory in use. ENERGY: 2161400 729.8867 2086.8639 1944.0944 117.1285 -205785.5260 17703.4958 0.0000 0.0000 34022.7116 -149181.3451 297.1288 -183204.0567 -149088.0470 299.3244 -89.5774 -60.6971 559674.2339 17.0912 16.9829 PRESSURE: 2161600 -165.132 102.104 25.3381 102.105 -324.225 -85.0539 25.338 -85.0517 -183.562 GPRESSURE: 2161600 -179.04 76.3869 83.1862 152.442 -271.004 -131.019 5.65196 -25.9714 -136.039 PRESSAVG: 2161600 3.0985 19.6318 -47.6337 19.6318 33.4955 -16.7383 -47.6337 -16.7382 14.6491 GPRESSAVG: 2161600 2.74748 17.4756 -47.9089 19.732 33.1849 -18.4373 -48.422 -13.6723 15.2074 TIMING: 2161600 CPU: 6516.39, 0.00300534/step Wall: 6516.39, 0.00300534/step, 2.36955 hours remaining, 208.519531 MB of memory in use. ENERGY: 2161600 763.6443 2080.5336 1931.2882 110.3834 -206088.4116 17586.3419 0.0000 0.0000 34434.1775 -149182.0426 300.7222 -183616.2202 -149084.1467 298.7857 -224.3064 -195.3607 558483.1788 17.0810 17.0466 PRESSURE: 2161800 -61.7596 21.2958 2.55993 21.2951 -165.619 15.1004 2.55919 15.1006 256.271 GPRESSURE: 2161800 -78.8904 26.3179 37.7202 0.564345 -170.089 -28.1968 -4.00427 85.0054 378.7 PRESSAVG: 2161800 -24.7948 -21.9968 -56.0928 -21.9968 -50.3375 -45.4324 -56.0928 -45.4324 34.0544 GPRESSAVG: 2161800 -25.646 -18.8891 -56.1344 -23.4442 -49.6261 -44.6357 -57.4421 -46.5388 34.6547 TIMING: 2161800 CPU: 6517, 0.00303687/step Wall: 6517, 0.00303687/step, 2.39424 hours remaining, 208.519531 MB of memory in use. ENERGY: 2161800 730.7871 2079.2264 1917.6669 110.6226 -205945.7892 17729.8996 0.0000 0.0000 34275.1091 -149102.4775 299.3331 -183377.5866 -149009.7088 299.0537 9.6308 43.2402 557927.5304 -13.6926 -13.5391 PRESSURE: 2162000 116.21 56.7344 3.73522 56.7343 -270.706 -147.295 3.73403 -147.295 105.67 GPRESSURE: 2162000 172.11 -65.4728 85.9936 100.33 -223.788 -138.602 33.1034 -154.822 100.786 PRESSAVG: 2162000 -4.23452 -11.8178 1.31922 -11.8178 -67.4834 15.058 1.31917 15.058 98.7231 GPRESSAVG: 2162000 -4.53983 -13.7934 1.85209 -12.6895 -66.7923 13.9221 3.60515 14.4827 97.9925 TIMING: 2162000 CPU: 6517.6, 0.00300927/step Wall: 6517.6, 0.00300927/step, 2.37231 hours remaining, 208.519531 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: 2162000 727.3207 2053.5021 1902.5837 121.7636 -206020.3610 17788.4268 0.0000 0.0000 34379.5336 -149047.2305 300.2450 -183426.7641 -148941.0392 299.7358 -16.2755 16.3694 557655.1772 9.0017 8.8868 PRESSURE: 2162200 -103.778 156.677 -40.0568 156.678 -354.512 13.5016 -40.0556 13.5012 -193.489 GPRESSURE: 2162200 -109.034 206.324 -65.3286 211.039 -327.381 30.6898 -24.7387 -76.2906 -117.944 PRESSAVG: 2162200 23.6853 -40.7066 -8.07269 -40.7067 -80.3484 15.8655 -8.07266 15.8656 100.247 GPRESSAVG: 2162200 24.9064 -39.5166 -7.90354 -38.0567 -81.1365 14.47 -9.94682 15.5379 100.345 TIMING: 2162200 CPU: 6518.2, 0.00300869/step Wall: 6518.2, 0.00300869/step, 2.37168 hours remaining, 208.519531 MB of memory in use. ENERGY: 2162200 747.3132 2032.6362 1921.4498 113.9855 -205581.7257 17522.8600 0.0000 0.0000 34089.6309 -149153.8500 297.7132 -183243.4809 -149058.2957 299.2681 -217.2596 -184.7864 558369.9632 14.5278 14.7050 PRESSURE: 2162400 -9.75693 67.1164 4.02044 67.1164 42.3337 -99.5812 4.02072 -99.582 -66.7301 GPRESSURE: 2162400 23.5195 104.121 12.8061 157.486 109.624 -58.3779 -130.752 7.18875 -67.4112 PRESSAVG: 2162400 35.4251 39.326 -10.2159 39.3261 -37.171 53.4857 -10.2159 53.4856 -5.05537 GPRESSAVG: 2162400 34.7562 40.0556 -10.8777 38.1405 -37.3894 52.7765 -8.29359 55.6302 -4.30224 TIMING: 2162400 CPU: 6518.8, 0.00301083/step Wall: 6518.8, 0.00301083/step, 2.3732 hours remaining, 208.519531 MB of memory in use. ENERGY: 2162400 745.1977 2093.9549 1916.4351 119.2435 -206024.7820 17729.8313 0.0000 0.0000 34189.4572 -149230.6621 298.5850 -183420.1193 -149135.4078 298.8231 -11.3844 21.9109 557959.6168 -2.2671 -2.3118 PRESSURE: 2162600 58.981 76.7889 148.983 76.7896 -263.778 -9.79162 148.985 -9.79149 119.917 GPRESSURE: 2162600 160.048 32.2983 117.531 133.258 -234.903 14.2685 162.099 4.22028 84.5336 PRESSAVG: 2162600 32.3048 53.6497 79.7695 53.6498 -34.8263 -50.6877 79.7695 -50.6877 -1.90474 GPRESSAVG: 2162600 33.351 53.4083 80.092 53.7945 -35.156 -49.3547 78.8832 -54.0692 -2.51314 TIMING: 2162600 CPU: 6519.41, 0.00301911/step Wall: 6519.41, 0.00301911/step, 2.37956 hours remaining, 208.519531 MB of memory in use. ENERGY: 2162600 752.8837 2103.5304 1923.3749 116.2007 -206054.1287 17852.9110 0.0000 0.0000 33977.2125 -149328.0156 296.7314 -183305.2281 -149231.9194 298.3933 -28.2934 3.2263 557747.0239 -1.4754 -1.4394 PRESSURE: 2162800 177.775 -97.4687 82.1788 -97.4677 163.743 112.167 82.1794 112.168 30.1748 GPRESSURE: 2162800 183.165 -153.404 82.0995 -31.3095 197.363 168.232 56.5109 162.512 83.3976 PRESSAVG: 2162800 55.703 -17.5843 5.35791 -17.5842 -41.183 12.4297 5.35809 12.4296 -12.4526 GPRESSAVG: 2162800 53.7236 -21.316 6.1647 -16.0679 -40.9759 13.6597 4.73729 13.1101 -10.738 TIMING: 2162800 CPU: 6520.01, 0.0030143/step Wall: 6520.01, 0.0030143/step, 2.3756 hours remaining, 208.519531 MB of memory in use. ENERGY: 2162800 707.6758 2030.5092 1928.8628 108.4247 -206276.0804 18072.3111 0.0000 0.0000 34154.8762 -149273.4207 298.2830 -183428.2968 -149174.8574 298.0716 123.8977 154.6420 557427.1932 0.6891 0.6699 PRESSURE: 2163000 -304.65 -22.0226 80.0455 -22.0217 -125.964 -107.375 80.0466 -107.376 -241.595 GPRESSURE: 2163000 -274.213 23.4767 104.606 -68.289 -56.4545 -152.773 45.6293 -61.6509 -241.538 PRESSAVG: 2163000 7.93084 -11.0409 46.8089 -11.041 71.9451 60.592 46.8089 60.592 -38.159 GPRESSAVG: 2163000 9.36174 -8.34881 45.9796 -11.3415 72.8827 62.1952 46.9572 58.6315 -40.1598 TIMING: 2163000 CPU: 6520.61, 0.00300228/step Wall: 6520.61, 0.00300228/step, 2.36597 hours remaining, 208.519531 MB of memory in use. ENERGY: 2163000 739.7045 2068.1868 1913.8779 110.8719 -205846.8568 17406.9200 0.0000 0.0000 34439.8959 -149167.4000 300.7722 -183607.2959 -149061.6142 299.1660 -224.0695 -190.7351 557059.4489 13.9057 14.0282 PRESSURE: 2163200 -178.633 55.3389 66.8099 55.3378 -168.701 -45.1726 66.8078 -45.1723 -160.883 GPRESSURE: 2163200 -135.772 78.5355 62.6374 4.51528 -138.689 -42.4754 95.0419 -100.274 -152.029 PRESSAVG: 2163200 22.0717 -12.0819 38.0391 -12.0818 48.0578 13.6717 38.0391 13.6718 -25.4471 GPRESSAVG: 2163200 21.1722 -12.0743 38.4006 -12.0967 48.1302 11.5337 38.4931 16.4356 -24.4511 TIMING: 2163200 CPU: 6521.21, 0.00300484/step Wall: 6521.21, 0.00300484/step, 2.36781 hours remaining, 208.519531 MB of memory in use. ENERGY: 2163200 763.4133 2076.7904 1924.6717 113.2063 -205718.8798 17442.1122 0.0000 0.0000 34195.9241 -149202.7619 298.6415 -183398.6860 -149112.2534 299.1959 -169.4055 -142.1633 556060.1902 14.8941 14.9504 PRESSURE: 2163400 76.8201 -170.725 143.596 -170.724 107.589 -105.207 143.593 -105.207 112.987 GPRESSURE: 2163400 85.7355 -221.392 157.528 -75.9551 178.743 -199.163 104.927 -100.827 124.084 PRESSAVG: 2163400 17.5468 -85.6309 -0.55526 -85.6308 -27.6932 -19.1763 -0.555292 -19.1764 12.0943 GPRESSAVG: 2163400 18.5445 -85.6197 -1.86056 -86.2149 -27.9479 -18.5759 -0.347012 -19.384 10.938 TIMING: 2163400 CPU: 6521.81, 0.00300438/step Wall: 6521.81, 0.00300438/step, 2.36729 hours remaining, 208.519531 MB of memory in use. ENERGY: 2163400 748.8302 2081.7100 1911.2869 100.5722 -206309.0200 17964.0835 0.0000 0.0000 34258.4849 -149244.0521 299.1879 -183502.5371 -149151.4987 299.0882 99.1321 129.5208 556852.1810 0.6493 0.5115 PRESSURE: 2163600 49.023 68.6471 -132.938 68.6456 -461.593 -234.386 -132.938 -234.384 -63.4715 GPRESSURE: 2163600 109.357 54.9091 -83.3447 20.1292 -465.993 -252.199 -132.907 -287.426 -26.7802 PRESSAVG: 2163600 36.8586 17.2735 5.4052 17.2735 -56.5633 -53.9123 5.40531 -53.9123 -25.8912 GPRESSAVG: 2163600 36.5962 16.2958 7.24367 17.4968 -57.7302 -55.1511 3.79779 -54.42 -25.1544 TIMING: 2163600 CPU: 6522.42, 0.00300923/step Wall: 6522.42, 0.00300923/step, 2.37094 hours remaining, 208.519531 MB of memory in use. ENERGY: 2163600 729.6594 2112.5584 1922.2216 98.5547 -205858.9705 17498.9847 0.0000 0.0000 34359.1430 -149137.8487 300.0669 -183496.9917 -149036.7568 299.6084 -158.6807 -127.8054 557869.6851 -15.1986 -15.4295 PRESSURE: 2163800 -96.4241 -150.223 47.1962 -150.224 33.5688 -25.9537 47.1956 -25.9539 33.7706 GPRESSURE: 2163800 -73.8537 -192.486 55.7594 -122.553 64.1394 4.61393 -61.3405 15.1739 82.0972 PRESSAVG: 2163800 -43.4562 10.0675 30.8754 10.0675 30.916 -18.6322 30.8754 -18.6323 67.0036 GPRESSAVG: 2163800 -42.5292 11.4739 30.9297 9.10283 29.8699 -18.1584 30.5143 -17.3628 66.9616 TIMING: 2163800 CPU: 6523.02, 0.00302328/step Wall: 6523.02, 0.00302328/step, 2.38184 hours remaining, 208.519531 MB of memory in use. ENERGY: 2163800 746.8189 2071.6033 1934.3348 89.3177 -206041.9218 17624.7505 0.0000 0.0000 34352.9576 -149222.1389 300.0129 -183575.0966 -149127.7512 299.3465 -9.6949 24.1276 555859.5082 18.1545 18.1008 PRESSURE: 2164000 -158.536 37.0965 39.8997 37.0959 119.624 38.7753 39.9004 38.7749 105.724 GPRESSURE: 2164000 -43.0176 -68.7567 69.2636 71.4805 107.952 62.1589 5.67553 96.0876 95.6785 PRESSAVG: 2164000 -22.3808 12.8067 33.8115 12.8066 10.7317 -46.0325 33.8116 -46.0324 6.48787 GPRESSAVG: 2164000 -23.0754 12.0667 34.1719 13.1721 11.1076 -46.6618 35.8514 -46.3617 6.7962 TIMING: 2164000 CPU: 6523.62, 0.00298598/step Wall: 6523.62, 0.00298598/step, 2.35229 hours remaining, 208.519531 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: 2164000 726.6825 2106.5984 1941.1118 115.8859 -206099.8324 17685.3755 0.0000 0.0000 34453.4953 -149070.6829 300.8909 -183524.1783 -148983.5055 299.8946 22.2709 53.5377 554580.8002 -1.7204 -1.7239 PRESSURE: 2164200 -164.692 -18.1444 125.106 -18.145 -4.73077 134.818 125.105 134.817 -57.0015 GPRESSURE: 2164200 -140.253 12.6196 117.99 -10.1538 -2.34378 102.022 112.202 119.603 16.0048 PRESSAVG: 2164200 -20.6376 -16.5298 59.0504 -16.5298 7.61876 4.82184 59.0504 4.82184 -3.32364 GPRESSAVG: 2164200 -19.8711 -16.3874 58.009 -17.3441 7.30504 6.08667 57.8126 2.54002 -3.91252 TIMING: 2164200 CPU: 6524.22, 0.00301218/step Wall: 6524.22, 0.00301218/step, 2.37276 hours remaining, 208.519531 MB of memory in use. ENERGY: 2164200 726.9882 2115.4690 1922.7124 108.3180 -206103.6064 17758.6163 0.0000 0.0000 34268.2025 -149203.3000 299.2727 -183471.5025 -149104.9889 299.9911 -75.4748 -42.1973 556928.8691 -5.4475 -5.4928 LDB: ============= START OF LOAD BALANCING ============== 6527.74 LDB: ============== END OF LOAD BALANCING =============== 6527.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6527.74 LDB: ============= START OF LOAD BALANCING ============== 6528.04 LDB: Largest compute 4800 load 0.029552 is 25.0% of average load 0.117973 LDB: Average compute 0.001730 is 1.5% of average load 0.117973 LDB: TIME 6528.05 LOAD: AVG 0.117973 MAX 0.205905 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.793 MB LDB: TIME 6528.05 LOAD: AVG 0.117973 MAX 0.205905 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.793 MB LDB: TIME 6528.05 LOAD: AVG 0.117973 MAX 0.205905 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.793 MB LDB: ============== END OF LOAD BALANCING =============== 6528.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6528.05 PRESSURE: 2164400 57.2265 12.7409 -214.105 12.7408 33.0553 69.8266 -214.106 69.8276 -9.48014 GPRESSURE: 2164400 148.239 -39.0043 -146.511 51.3212 51.6419 32.0679 -291.805 115.38 -26.8596 PRESSAVG: 2164400 -1.13375 27.2513 -19.6014 27.2512 -38.1977 10.1873 -19.6013 10.1873 -8.55144 GPRESSAVG: 2164400 -1.42493 26.9003 -17.7956 29.0945 -37.932 12.1779 -17.3596 11.0313 -8.5073 TIMING: 2164400 CPU: 6524.84, 0.00307957/step Wall: 6524.84, 0.00307957/step, 2.42567 hours remaining, 207.976562 MB of memory in use. ENERGY: 2164400 755.5392 2084.3702 1939.2728 114.3814 -205829.9195 17647.5153 0.0000 0.0000 34264.2717 -149024.5689 299.2384 -183288.8405 -148928.4892 299.4822 26.9339 57.6737 557273.2030 -15.9610 -15.9547 PRESSURE: 2164600 -188.722 -55.591 -86.7285 -55.591 259.467 19.7361 -86.7285 19.7359 30.9834 GPRESSURE: 2164600 -157.166 -110.422 -76.5125 -23.8481 249.895 -12.7737 -127.844 -17.7646 105.997 PRESSAVG: 2164600 13.318 -23.34 -31.0628 -23.34 19.7198 9.30945 -31.0628 9.30935 -21.0665 GPRESSAVG: 2164600 12.2502 -23.1712 -32.9816 -22.7134 20.557 5.74057 -31.6582 10.4694 -20.5207 TIMING: 2164600 CPU: 6525.44, 0.00301218/step Wall: 6525.44, 0.00301218/step, 2.37242 hours remaining, 207.976562 MB of memory in use. ENERGY: 2164600 703.0393 2113.1424 1919.4543 114.5832 -206369.8411 17965.8309 0.0000 0.0000 34430.4988 -149123.2922 300.6901 -183553.7910 -149018.7787 299.8412 33.9094 66.2422 557488.4508 3.9904 4.0955 PRESSURE: 2164800 -88.4062 -103.352 -30.7074 -103.351 -146.364 -107.058 -30.7075 -107.059 289.794 GPRESSURE: 2164800 -75.2899 -159.18 37.9015 -17.6882 -134.861 -161.248 -82.6089 -63.4186 350.918 PRESSAVG: 2164800 21.5426 -31.7006 -18.5709 -31.7005 -9.04976 22.6853 -18.5709 22.6853 20.6138 GPRESSAVG: 2164800 22.4032 -30.6837 -17.678 -33.0256 -10.0485 22.1585 -19.0639 22.6774 20.276 TIMING: 2164800 CPU: 6526.04, 0.00300848/step Wall: 6526.04, 0.00300848/step, 2.36935 hours remaining, 207.976562 MB of memory in use. ENERGY: 2164800 764.1848 2067.2282 1969.9265 104.8577 -206480.4354 17867.2425 0.0000 0.0000 34387.6404 -149319.3551 300.3158 -183706.9956 -149226.5974 299.5119 18.3411 46.9226 556519.4339 11.0355 10.8769 PRESSURE: 2165000 49.9661 -198.422 -99.7012 -198.421 45.0268 107.864 -99.701 107.865 119.365 GPRESSURE: 2165000 103.008 -230.616 -261.035 -232.388 130.242 136.898 52.9701 122.217 64.073 PRESSAVG: 2165000 -29.1597 -33.698 22.1627 -33.698 7.99709 37.7373 22.1626 37.7374 22.0692 GPRESSAVG: 2165000 -30.3474 -34.2583 21.3181 -33.3323 8.30777 39.577 22.5139 38.5739 22.4042 TIMING: 2165000 CPU: 6526.64, 0.0030216/step Wall: 6526.64, 0.0030216/step, 2.37951 hours remaining, 207.976562 MB of memory in use. ENERGY: 2165000 794.1897 2112.7307 1949.9947 102.4882 -206586.6574 18088.3066 0.0000 0.0000 34270.3641 -149268.5833 299.2916 -183538.9474 -149171.0064 299.6104 71.4526 99.1074 556051.8201 0.3022 0.1215 PRESSURE: 2165200 -53.8069 -37.3152 -44.4843 -37.3159 28.7193 105.977 -44.4855 105.978 49.3449 GPRESSURE: 2165200 -84.4776 -72.3286 -102.06 -10.6528 62.5988 75.3366 -44.3361 119.172 143.854 PRESSAVG: 2165200 -23.9702 -31.8335 43.9981 -31.8334 86.2386 72.7917 43.9981 72.7917 -23.7283 GPRESSAVG: 2165200 -24.0384 -30.8713 45.8765 -32.3923 87.1603 71.7467 42.9522 72.3244 -24.0222 TIMING: 2165200 CPU: 6527.25, 0.00303154/step Wall: 6527.25, 0.00303154/step, 2.38717 hours remaining, 207.976562 MB of memory in use. ENERGY: 2165200 753.8292 2101.1269 1914.7372 107.8525 -206226.4316 17727.2295 0.0000 0.0000 34452.0020 -149169.6543 300.8779 -183621.6563 -149080.6561 299.2406 8.0858 40.6584 556486.0576 12.8467 13.0333 PRESSURE: 2165400 60.3367 -11.7581 -148.207 -11.7582 18.2323 -137.457 -148.207 -137.457 -214.751 GPRESSURE: 2165400 52.6804 -19.7909 -81.4131 -34.8898 45.8384 -194.999 -178.276 -66.1145 -136.766 PRESSAVG: 2165400 24.2865 -75.4675 26.1868 -75.4676 9.79752 2.63436 26.1869 2.63455 -37.6311 GPRESSAVG: 2165400 25.3923 -76.3202 26.5097 -74.674 9.59022 1.73667 25.066 2.48903 -38.8768 TIMING: 2165400 CPU: 6527.86, 0.00303133/step Wall: 6527.86, 0.00303133/step, 2.38683 hours remaining, 207.976562 MB of memory in use. ENERGY: 2165400 753.7329 2060.6741 1931.9776 109.1600 -206180.2278 17827.2439 0.0000 0.0000 34327.7446 -149169.6948 299.7927 -183497.4394 -149074.9207 299.4360 -45.3941 -12.7490 557901.8073 -1.1824 -1.2981 PRESSURE: 2165600 184.9 -74.9322 330.7 -74.9314 -83.8901 143.924 330.7 143.923 -110.88 GPRESSURE: 2165600 178.68 -61.1422 276.061 -120.126 -34.3757 229.516 406.257 136.836 -66.4656 PRESSAVG: 2165600 14.1367 1.63792 1.32057 1.6379 10.8857 31.7926 1.32056 31.7925 -25.47 GPRESSAVG: 2165600 13.3902 2.40593 0.556522 -0.232276 10.5966 35.0392 2.41213 31.2033 -24.2678 TIMING: 2165600 CPU: 6528.46, 0.00301916/step Wall: 6528.46, 0.00301916/step, 2.37708 hours remaining, 207.976562 MB of memory in use. ENERGY: 2165600 730.3439 2114.7981 1916.0523 113.2671 -206186.6480 17800.8513 0.0000 0.0000 34271.9494 -149239.3858 299.3055 -183511.3353 -149141.8001 299.4135 -3.2902 25.9462 558114.9014 -0.1492 -0.0937 PRESSURE: 2165800 -90.4773 -51.5706 131.059 -51.5714 -78.3946 -20.3144 131.059 -20.3157 132.358 GPRESSURE: 2165800 -112.871 14.1339 128.594 -52.9768 9.09707 -0.851189 140.048 -55.7649 163.759 PRESSAVG: 2165800 12.8295 0.292464 33.8928 0.292562 8.2796 21.3772 33.8927 21.3771 -29.2109 GPRESSAVG: 2165800 13.1533 0.0297208 32.7347 0.321935 6.81342 22.3263 34.9937 18.5225 -28.2033 TIMING: 2165800 CPU: 6529.06, 0.0030193/step Wall: 6529.06, 0.0030193/step, 2.37703 hours remaining, 207.976562 MB of memory in use. ENERGY: 2165800 739.5173 2143.4486 1909.1440 113.2992 -206003.9528 17735.2954 0.0000 0.0000 34095.5784 -149267.6698 297.7652 -183363.2482 -149169.1810 299.1058 -12.1714 19.9949 558213.4211 -2.7006 -2.7456 PRESSURE: 2166000 -128.237 -58.403 -106.154 -58.4036 112.183 56.5215 -106.153 56.5226 104.345 GPRESSURE: 2166000 -34.4699 -46.8085 -73.0906 -11.9229 130.886 9.26268 -109.238 -69.2876 84.5969 PRESSAVG: 2166000 22.1428 21.7646 34.1968 21.7645 36.7122 32.1914 34.1967 32.1914 -29.5692 GPRESSAVG: 2166000 22.2344 22.1783 33.7855 23.6848 37.4961 28.8452 32.5216 34.3694 -30.2625 TIMING: 2166000 CPU: 6529.67, 0.00304381/step Wall: 6529.67, 0.00304381/step, 2.39616 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: 2166000 721.8498 2085.5019 1945.6240 109.1775 -206777.3526 18081.2807 0.0000 0.0000 34345.1100 -149488.8087 299.9444 -183833.9187 -149396.7165 298.8035 29.4300 60.3375 557669.4985 9.7619 9.8227 PRESSURE: 2166200 -92.0861 -59.6561 161.325 -59.6576 -178.628 -3.97345 161.326 -3.97197 -84.0996 GPRESSURE: 2166200 -50.9825 -79.1099 74.631 -6.41146 -177.569 -26.3068 157.102 -41.0839 -19.7317 PRESSAVG: 2166200 -31.2349 13.1609 -0.0619121 13.1608 22.4208 27.42 -0.0618931 27.42 11.5972 GPRESSAVG: 2166200 -31.3405 13.145 1.07478 13.8514 23.5477 27.976 -0.666591 29.7253 10.7365 TIMING: 2166200 CPU: 6530.28, 0.00303426/step Wall: 6530.28, 0.00303426/step, 2.38847 hours remaining, 207.976562 MB of memory in use. ENERGY: 2166200 751.3423 2090.5173 1918.0649 107.9451 -206220.0129 17638.0345 0.0000 0.0000 34063.1039 -149651.0049 297.4816 -183714.1088 -149551.9468 298.6110 -118.2712 -82.7612 557471.6048 0.9277 0.9812 PRESSURE: 2166400 -117.149 32.7068 132.719 32.7085 -119.408 -78.4169 132.718 -78.4175 -208.516 GPRESSURE: 2166400 -89.7417 29.3797 96.1284 -58.447 -60.3633 -113.89 91.8933 -88.6943 -194.803 PRESSAVG: 2166400 -26.927 12.509 42.1372 12.509 -42.6512 11.8127 42.1372 11.8125 72.9906 GPRESSAVG: 2166400 -28.005 13.0176 43.0641 11.871 -42.3063 10.1896 43.3742 11.9675 74.0439 TIMING: 2166400 CPU: 6530.88, 0.00301659/step Wall: 6530.88, 0.00301659/step, 2.3744 hours remaining, 207.976562 MB of memory in use. ENERGY: 2166400 760.2111 2084.4447 1923.6734 115.8319 -206454.6354 17631.2900 0.0000 0.0000 34242.0685 -149697.1158 299.0445 -183939.1843 -149600.3166 298.3618 -148.3576 -114.9693 556688.5754 1.1375 1.2442 PRESSURE: 2166600 -118.505 155.881 128.384 155.88 113.222 3.89844 128.384 3.89955 -96.4383 GPRESSURE: 2166600 -98.9908 104.467 174.957 102.344 148.39 -24.0544 153.433 31.8453 -53.1315 PRESSAVG: 2166600 -41.5112 -5.4743 46.671 -5.47425 12.2261 -24.816 46.6711 -24.816 17.5308 GPRESSAVG: 2166600 -38.785 -5.39978 45.6147 -7.02094 10.2165 -22.8983 46.7959 -26.3472 16.8505 TIMING: 2166600 CPU: 6531.49, 0.00303403/step Wall: 6531.49, 0.00303403/step, 2.38795 hours remaining, 207.976562 MB of memory in use. ENERGY: 2166600 745.3033 2093.6874 1948.8767 110.0554 -206542.8905 17759.1104 0.0000 0.0000 34257.2604 -149628.5967 299.1772 -183885.8571 -149531.1485 298.9594 -33.9071 -1.2439 553975.0988 -3.9181 -3.9060 PRESSURE: 2166800 -84.9815 111.577 -82.0825 111.577 -154.115 51.1531 -82.0825 51.1541 -104.626 GPRESSURE: 2166800 -80.5603 117.861 20.986 108.31 -130.237 112.251 -105.561 27.2601 -43.9944 PRESSAVG: 2166800 -26.5123 -30.1291 33.7065 -30.1291 33.0312 -18.04 33.7064 -18.04 -10.5701 GPRESSAVG: 2166800 -26.9201 -30.676 34.5428 -29.577 34.0243 -19.6141 33.7773 -17.385 -11.3904 TIMING: 2166800 CPU: 6532.1, 0.00306186/step Wall: 6532.1, 0.00306186/step, 2.40968 hours remaining, 207.976562 MB of memory in use. ENERGY: 2166800 765.0880 2150.7961 1917.6570 115.3598 -206303.5790 17691.5210 0.0000 0.0000 34119.4893 -149543.6679 297.9740 -183663.1572 -149446.5005 298.9313 -114.5744 -84.9305 556537.2175 -1.3504 -1.4288 PRESSURE: 2167000 15.0336 86.8473 -153.791 86.8468 -200.809 256.906 -153.792 256.905 215.241 GPRESSURE: 2167000 96.9543 113.191 -62.1322 55.012 -212.178 256.54 -238.877 350.831 238.798 PRESSAVG: 2167000 45.2701 -40.7637 -8.81515 -40.7637 -47.4297 0.0240059 -8.81515 0.024051 8.54251 GPRESSAVG: 2167000 44.2822 -40.622 -9.47363 -41.8903 -47.0311 1.18365 -8.74645 -0.451821 9.38797 TIMING: 2167000 CPU: 6532.71, 0.00304918/step Wall: 6532.71, 0.00304918/step, 2.39953 hours remaining, 207.976562 MB of memory in use. ENERGY: 2167000 741.0098 2105.5601 1949.0892 110.0772 -206252.8258 17818.3703 0.0000 0.0000 33998.2800 -149530.4392 296.9154 -183528.7192 -149435.3321 298.6794 9.8219 41.1912 557485.1594 2.1276 2.2130 PRESSURE: 2167200 -156.204 -100.504 -39.6873 -100.503 -536.518 108.121 -39.6884 108.12 -77.4296 GPRESSURE: 2167200 -119.888 -76.2966 2.00283 -79.7157 -493.226 127.241 -132.511 56.7081 -74.4864 PRESSAVG: 2167200 58.7597 1.44961 -36.4157 1.44964 -26.691 2.03171 -36.4157 2.03182 -4.76368 GPRESSAVG: 2167200 58.7177 0.297297 -37.8962 3.3448 -26.061 2.86548 -37.4628 -0.426034 -5.81664 TIMING: 2167200 CPU: 6533.32, 0.00304713/step Wall: 6533.32, 0.00304713/step, 2.39776 hours remaining, 207.976562 MB of memory in use. ENERGY: 2167200 759.4949 2097.8208 1932.2096 121.9417 -205917.2170 17381.1024 0.0000 0.0000 34064.6320 -149560.0157 297.4949 -183624.6477 -149463.4920 298.4361 -256.7170 -229.2000 556818.2441 9.1017 8.9467 PRESSURE: 2167400 59.981 -211.389 -33.8097 -211.389 -280.271 0.639872 -33.8098 0.641605 77.8514 GPRESSURE: 2167400 148.434 -201.528 -41.4628 -209.764 -251.698 92.0259 23.3064 -41.616 65.5144 PRESSAVG: 2167400 10.8995 12.8474 19.241 12.8475 -57.699 0.578919 19.241 0.578847 63.8466 GPRESSAVG: 2167400 11.5184 14.9422 19.5248 11.8935 -57.7586 1.70312 18.6083 2.36298 63.1091 TIMING: 2167400 CPU: 6533.93, 0.00303223/step Wall: 6533.93, 0.00303223/step, 2.38586 hours remaining, 207.976562 MB of memory in use. ENERGY: 2167400 756.4268 2082.8070 1905.3679 110.8682 -206425.0863 17791.7181 0.0000 0.0000 34217.8496 -149560.0488 298.8330 -183777.8983 -149456.9462 297.6996 -47.4795 -12.5834 556586.1399 5.6824 5.6230 PRESSURE: 2167600 -184.48 21.0566 -240.487 21.0546 -292.372 85.4129 -240.487 85.413 -292.818 GPRESSURE: 2167600 -134.595 2.94586 -183.614 -21.266 -243.651 140.224 -236.593 31.0276 -292.446 PRESSAVG: 2167600 33.7658 -29.912 8.72882 -29.9119 -17.5738 -19.7841 8.72888 -19.784 -15.7825 GPRESSAVG: 2167600 33.8419 -31.6427 8.23924 -30.7409 -18.2538 -21.0732 10.6719 -19.2978 -15.2257 TIMING: 2167600 CPU: 6534.53, 0.00302922/step Wall: 6534.53, 0.00302922/step, 2.38332 hours remaining, 207.976562 MB of memory in use. ENERGY: 2167600 734.1882 2070.9080 1921.7431 112.0487 -206029.6355 17436.7912 0.0000 0.0000 34131.9875 -149621.9687 298.0831 -183753.9562 -149531.2377 297.7488 -256.5568 -223.5638 556698.9799 0.1365 0.1208 PRESSURE: 2167800 -176.622 -23.6225 -33.3295 -23.6213 -0.365738 4.26101 -33.3297 4.25974 -41.605 GPRESSURE: 2167800 -161.691 125.086 -10.4871 12.8565 43.7888 -15.2109 22.8676 -24.3026 -2.78292 PRESSAVG: 2167800 -32.4937 20.6384 -6.47775 20.6385 45.6335 -9.60414 -6.47777 -9.60406 16.3597 GPRESSAVG: 2167800 -32.0561 20.8747 -6.97998 21.2132 45.6535 -10.402 -6.54815 -9.53137 15.9794 TIMING: 2167800 CPU: 6535.14, 0.00300657/step Wall: 6535.14, 0.00300657/step, 2.36534 hours remaining, 207.976562 MB of memory in use. ENERGY: 2167800 745.6427 2082.2321 1937.9703 116.1501 -206169.9968 17671.9060 0.0000 0.0000 34171.0169 -149445.0787 298.4240 -183616.0956 -149350.9773 298.5093 -72.8644 -40.2283 557460.4515 9.8331 9.8589 PRESSURE: 2168000 135.875 -126.932 -178.229 -126.931 -54.3726 17.8085 -178.229 17.8084 -165.198 GPRESSURE: 2168000 136.984 -88.7843 -114.464 -125.022 13.1882 41.1626 -212.221 0.982834 -139.716 PRESSAVG: 2168000 -6.33972 -10.3789 33.0968 -10.3789 -41.3031 -25.7815 33.0968 -25.7815 12.1898 GPRESSAVG: 2168000 -6.13447 -12.6413 33.9451 -8.89118 -42.9159 -24.7805 30.9471 -26.1962 13.9799 TIMING: 2168000 CPU: 6535.74, 0.00300814/step Wall: 6535.74, 0.00300814/step, 2.3664 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: 2168000 730.4279 2101.1895 1934.0864 103.4788 -205871.5704 17511.0535 0.0000 0.0000 34178.4036 -149312.9308 298.4885 -183491.3344 -149219.0735 299.2382 -27.8984 3.4854 556993.8469 -11.8177 -11.6901 PRESSURE: 2168200 -214.587 66.4224 -280.794 66.4243 -211.75 134.142 -280.793 134.143 -77.0947 GPRESSURE: 2168200 -210.429 62.3068 -171.13 39.7186 -160.375 76.3454 -304.182 154.636 -35.924 PRESSAVG: 2168200 10.1809 -38.8685 -82.7787 -38.8686 -74.9176 30.9282 -82.7787 30.9281 81.224 GPRESSAVG: 2168200 9.65649 -38.3405 -82.9367 -38.628 -73.8727 31.1348 -80.6354 31.5823 80.6874 TIMING: 2168200 CPU: 6536.34, 0.00303204/step Wall: 6536.34, 0.00303204/step, 2.38504 hours remaining, 207.976562 MB of memory in use. ENERGY: 2168200 792.7424 2124.6949 1931.2760 114.5772 -205848.5044 17441.0788 0.0000 0.0000 34100.6248 -149343.5103 297.8092 -183444.1351 -149244.5478 298.9777 -167.8105 -135.5761 557457.2150 5.4958 5.4904 LDB: ============= START OF LOAD BALANCING ============== 6539.86 LDB: ============== END OF LOAD BALANCING =============== 6539.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6539.87 LDB: ============= START OF LOAD BALANCING ============== 6540.17 LDB: Largest compute 4800 load 0.028442 is 24.1% of average load 0.117897 LDB: Average compute 0.001724 is 1.5% of average load 0.117897 LDB: TIME 6540.17 LOAD: AVG 0.117897 MAX 0.205653 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.453 MB LDB: TIME 6540.17 LOAD: AVG 0.117897 MAX 0.205653 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.656 MB LDB: TIME 6540.17 LOAD: AVG 0.117897 MAX 0.205653 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.656 MB LDB: ============== END OF LOAD BALANCING =============== 6540.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6540.18 PRESSURE: 2168400 -150.757 149.631 31.9234 149.629 -101.182 7.9988 31.9232 7.99872 -163.48 GPRESSURE: 2168400 -136.44 128.457 72.0633 231.123 -100.551 -56.0882 64.4369 -23.3298 -79.956 PRESSAVG: 2168400 -13.0284 7.95305 -49.072 7.95302 15.9996 -14.2155 -49.0721 -14.2155 -44.5352 GPRESSAVG: 2168400 -12.6557 10.5785 -48.0871 7.09601 16.0573 -16.692 -49.4804 -12.7022 -45.2044 TIMING: 2168400 CPU: 6536.96, 0.00309916/step Wall: 6536.96, 0.00309916/step, 2.43766 hours remaining, 211.957031 MB of memory in use. ENERGY: 2168400 731.2190 2140.3402 1937.2702 115.8056 -206227.8828 17520.0115 0.0000 0.0000 34440.0313 -149343.2049 300.7734 -183783.2363 -149240.2926 298.9339 -138.4730 -105.6491 557353.7145 -13.8547 -13.9343 PRESSURE: 2168600 -331.454 -19.3676 -87.586 -19.3681 129.797 -140.686 -87.5867 -140.684 160.627 GPRESSURE: 2168600 -249.029 18.7777 -111.576 -35.8268 120.046 -120.325 -52.4113 -191.228 184.152 PRESSAVG: 2168600 8.16094 55.4794 10.976 55.4795 -8.93031 -48.1859 10.9761 -48.186 40.0851 GPRESSAVG: 2168600 7.90079 53.6381 8.03434 55.7846 -9.36978 -46.9198 10.1032 -48.6744 41.024 TIMING: 2168600 CPU: 6537.57, 0.00305899/step Wall: 6537.57, 0.00305899/step, 2.4059 hours remaining, 212.160156 MB of memory in use. ENERGY: 2168600 759.2975 2120.2992 1925.0419 100.2243 -206336.3850 17761.3169 0.0000 0.0000 34181.4713 -149488.7339 298.5153 -183670.2053 -149402.1211 298.1964 -13.6765 18.3898 556409.0048 13.1052 13.1850 PRESSURE: 2168800 219.303 -13.2864 111.949 -13.2855 164.328 -251.288 111.948 -251.288 82.2549 GPRESSURE: 2168800 198.728 -125.589 190.617 -57.5234 210.711 -288.886 139.186 -242.42 160.183 PRESSAVG: 2168800 -32.7716 52.8421 7.29184 52.8421 -31.7161 -49.6108 7.29182 -49.6109 87.1362 GPRESSAVG: 2168800 -33.1737 52.5597 9.86388 51.943 -30.3437 -48.9542 8.49829 -50.5353 85.8589 TIMING: 2168800 CPU: 6538.18, 0.00303354/step Wall: 6538.18, 0.00303354/step, 2.38571 hours remaining, 212.160156 MB of memory in use. ENERGY: 2168800 728.7545 2101.8672 1918.1811 101.9602 -206753.5197 18072.3376 0.0000 0.0000 34174.2247 -149656.1943 298.4520 -183830.4190 -149553.3744 298.5338 155.2951 189.8739 555697.8229 7.5495 7.4472 PRESSURE: 2169000 -125.2 -60.184 165.206 -60.1842 30.5584 -104.696 165.206 -104.698 150.013 GPRESSURE: 2169000 -55.1292 -120.572 154.198 -0.999581 90.6411 -130.934 137.077 -69.9033 123.187 PRESSAVG: 2169000 2.25129 -18.983 8.58433 -18.9831 -17.9266 -68.7363 8.58444 -68.7365 41.2565 GPRESSAVG: 2169000 2.63338 -17.6968 5.98671 -17.4322 -18.1976 -67.6999 8.57752 -69.043 40.7147 TIMING: 2169000 CPU: 6538.79, 0.00302451/step Wall: 6538.79, 0.00302451/step, 2.37844 hours remaining, 212.160156 MB of memory in use. ENERGY: 2169000 762.7696 2051.8115 1946.3313 117.4569 -206834.3201 18044.7924 0.0000 0.0000 34379.6183 -149531.5402 300.2458 -183911.1585 -149437.8049 298.5140 18.4571 52.8996 555536.2574 8.5270 8.3835 PRESSURE: 2169200 -93.4174 -62.2629 -19.3514 -62.2629 -165.985 -17.8749 -19.3521 -17.8741 142.734 GPRESSURE: 2169200 -82.176 -48.9998 153.064 -55.0276 -110.442 9.12868 -108.61 -33.9158 171.422 PRESSAVG: 2169200 -34.082 -42.221 -15.7512 -42.2211 -23.528 -37.7549 -15.7513 -37.7549 47.4983 GPRESSAVG: 2169200 -35.1155 -42.3373 -14.251 -43.2242 -23.0752 -39.5344 -17.1806 -36.8839 48.499 TIMING: 2169200 CPU: 6539.39, 0.0030348/step Wall: 6539.39, 0.0030348/step, 2.38637 hours remaining, 212.160156 MB of memory in use. ENERGY: 2169200 740.9109 2093.7330 1931.9175 112.3492 -206724.1864 17980.1778 0.0000 0.0000 34449.7798 -149415.3181 300.8585 -183865.0980 -149321.1034 299.4373 -38.8894 -7.0653 555929.1900 -3.3705 -3.2306 PRESSURE: 2169400 -34.6211 104.559 27.9867 104.558 130.999 -151.032 27.9856 -151.031 -174.895 GPRESSURE: 2169400 9.00167 113.33 27.8118 23.6791 149.635 -135.822 97.1019 -145.224 -137.501 PRESSAVG: 2169400 26.209 7.95359 51.1847 7.95357 -35.8046 -28.4799 51.1848 -28.4798 14.0704 GPRESSAVG: 2169400 27.8683 7.72583 53.4093 9.12424 -36.513 -28.0243 51.8872 -29.842 13.1556 TIMING: 2169400 CPU: 6540, 0.00305365/step Wall: 6540, 0.00305365/step, 2.40101 hours remaining, 212.160156 MB of memory in use. ENERGY: 2169400 713.6566 2087.0190 1912.4605 109.5106 -206030.0106 17699.0756 0.0000 0.0000 34174.5753 -149333.7129 298.4551 -183508.2882 -149232.8060 299.7368 -26.1725 7.0453 557101.2017 1.4916 1.5036 PRESSURE: 2169600 -105.956 -144.088 -56.3151 -144.088 -188.117 42.5975 -56.3148 42.5972 15.381 GPRESSURE: 2169600 -48.4219 -127.55 -10.339 -175.837 -210.108 -29.3234 -66.4589 49.7273 72.0768 PRESSAVG: 2169600 -10.9017 11.5753 2.46176 11.5754 -31.9806 -74.0612 2.46175 -74.0611 0.0543256 GPRESSAVG: 2169600 -11.6099 11.3888 1.89653 12.4104 -33.1753 -74.7119 1.28607 -73.224 2.18449 TIMING: 2169600 CPU: 6540.61, 0.00304329/step Wall: 6540.61, 0.00304329/step, 2.3927 hours remaining, 212.160156 MB of memory in use. ENERGY: 2169600 780.3821 2104.1013 1908.2244 94.4286 -206114.8766 17734.9535 0.0000 0.0000 34068.5196 -149424.2670 297.5289 -183492.7866 -149327.8613 298.9269 -92.8971 -62.1510 558035.8924 -14.2760 -14.2002 PRESSURE: 2169800 20.4712 267.667 -34.0454 267.667 -241.502 50.7722 -34.0457 50.7714 -54.7367 GPRESSURE: 2169800 73.4091 296.143 -78.3752 256.311 -230.018 63.7106 -3.31992 54.2503 -38.2035 PRESSAVG: 2169800 16.087 41.1229 44.0747 41.123 -34.3387 -45.5304 44.0747 -45.5304 21.3455 GPRESSAVG: 2169800 15.3467 41.5391 42.2799 39.662 -32.0166 -44.8624 46.1534 -47.2595 19.5106 TIMING: 2169800 CPU: 6541.21, 0.00300561/step Wall: 6541.21, 0.00300561/step, 2.36291 hours remaining, 212.160156 MB of memory in use. ENERGY: 2169800 762.5692 2070.6516 1898.5709 107.3322 -206205.6079 17684.6621 0.0000 0.0000 34353.1943 -149328.6276 300.0150 -183681.8219 -149228.3992 298.6257 -91.9224 -64.9376 557281.3414 1.0313 0.9469 PRESSURE: 2170000 -18.3549 132.454 -181.25 132.454 -194.594 2.14246 -181.25 2.1419 -218.566 GPRESSURE: 2170000 -27.4922 178.095 -203.863 144.733 -192.29 -52.2483 -156.108 62.933 -106.205 PRESSAVG: 2170000 2.29372 30.2985 -17.1835 30.2984 -90.5506 -35.9476 -17.1836 -35.9476 17.7659 GPRESSAVG: 2170000 2.12501 30.3595 -16.5208 28.9032 -90.6417 -34.7501 -18.1267 -35.8539 18.3019 TIMING: 2170000 CPU: 6541.82, 0.00303904/step Wall: 6541.82, 0.00303904/step, 2.38902 hours remaining, 212.160156 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: 2170000 763.2264 2069.4082 1941.1068 120.5021 -205957.6889 17716.9813 0.0000 0.0000 34209.0987 -149137.3655 298.7566 -183346.4642 -149036.7941 299.0810 -143.8384 -108.6623 558609.2521 -23.4970 -23.4049 PRESSURE: 2170200 -125.25 86.3225 -5.2026 86.3217 -119.458 41.4642 -5.2026 41.4647 136.156 GPRESSURE: 2170200 -93.3297 86.6259 -61.9028 110.367 -73.7507 45.0252 -47.2419 70.6179 154.099 PRESSAVG: 2170200 -28.024 20.6233 33.3053 20.6233 -15.2978 -2.38128 33.3053 -2.38124 46.439 GPRESSAVG: 2170200 -28.6639 19.5774 32.4419 23.1654 -15.673 -3.19889 32.6959 -1.90221 47.2886 TIMING: 2170200 CPU: 6542.43, 0.00303366/step Wall: 6542.43, 0.00303366/step, 2.38463 hours remaining, 212.160156 MB of memory in use. ENERGY: 2170200 775.7060 2085.5160 1918.2595 107.1715 -205997.6441 17711.0939 0.0000 0.0000 34187.9224 -149211.9747 298.5716 -183399.8971 -149113.4359 299.3289 -36.1839 -4.3270 557543.3337 1.0391 0.9839 PRESSURE: 2170400 80.6353 194.376 -241.712 194.377 45.0064 42.1955 -241.712 42.1953 -86.9036 GPRESSURE: 2170400 107.698 169.259 -287.403 153.409 45.3583 -42.5674 -165.69 43.1613 -14.239 PRESSAVG: 2170400 16.9817 -11.6037 -27.5768 -11.6036 -35.1174 53.436 -27.5768 53.4361 31.339 GPRESSAVG: 2170400 17.0972 -10.0576 -28.4931 -11.1498 -34.2151 55.0995 -28.785 52.3899 31.2606 TIMING: 2170400 CPU: 6543.03, 0.0030227/step Wall: 6543.03, 0.0030227/step, 2.37584 hours remaining, 212.355469 MB of memory in use. ENERGY: 2170400 752.7270 2096.7756 1939.7436 116.3317 -206505.0787 18024.9980 0.0000 0.0000 34265.8166 -149308.6862 299.2519 -183574.5028 -149208.9388 299.3923 12.9127 46.2723 555652.0983 4.4011 4.7142 PRESSURE: 2170600 15.3175 85.1697 -158.421 85.1695 259.269 -14.3432 -158.42 -14.3442 -2.46785 GPRESSURE: 2170600 28.7102 41.6449 -184.146 118.185 284.446 6.8315 -112.31 22.6379 57.3542 PRESSAVG: 2170600 0.947148 24.7251 -22.7068 24.7252 72.8126 -1.52278 -22.7069 -1.52282 -92.0528 GPRESSAVG: 2170600 3.09383 24.203 -22.8657 23.4971 71.3813 -2.19044 -20.2533 -1.2402 -92.5684 TIMING: 2170600 CPU: 6543.64, 0.00302776/step Wall: 6543.64, 0.00302776/step, 2.37965 hours remaining, 212.355469 MB of memory in use. ENERGY: 2170600 753.8461 2047.8568 1934.1662 109.9108 -206273.1568 17855.4862 0.0000 0.0000 34167.3056 -149404.5851 298.3916 -183571.8907 -149311.2986 298.7535 90.7062 123.5035 557048.9200 -6.0977 -6.0311 PRESSURE: 2170800 -104.403 151.932 240.354 151.932 90.699 49.5267 240.354 49.5275 -99.9243 GPRESSURE: 2170800 -44.6037 96.4626 273.075 170.085 131.831 -19.2589 238.361 45.4823 -100.385 PRESSAVG: 2170800 -3.96848 61.6705 87.6514 61.6705 49.2244 10.6209 87.6514 10.6209 -28.0251 GPRESSAVG: 2170800 -5.41376 61.5709 88.8507 63.2559 50.3153 9.33918 88.7214 12.2253 -27.7051 TIMING: 2170800 CPU: 6544.24, 0.00303162/step Wall: 6544.24, 0.00303162/step, 2.38252 hours remaining, 212.355469 MB of memory in use. ENERGY: 2170800 771.3692 2034.3394 1923.6572 103.4583 -205770.9539 17644.6599 0.0000 0.0000 34059.9400 -149233.5299 297.4539 -183293.4700 -149131.5613 298.8543 -37.8762 -4.3861 557730.3610 5.7436 5.7322 PRESSURE: 2171000 32.6193 -64.8548 131.857 -64.855 230.131 11.9447 131.858 11.9444 -192.426 GPRESSURE: 2171000 63.2768 -17.4655 168.79 -98.1671 261.321 23.3878 102.008 1.86295 -153.149 PRESSAVG: 2171000 -80.4038 17.1228 106.15 17.1229 67.8693 13.6207 106.15 13.6207 -36.2382 GPRESSAVG: 2171000 -81.8796 16.7882 106.043 15.3206 68.1212 14.7754 105.261 11.5026 -35.6618 TIMING: 2171000 CPU: 6544.84, 0.00299001/step Wall: 6544.84, 0.00299001/step, 2.34965 hours remaining, 212.355469 MB of memory in use. ENERGY: 2171000 738.0106 2082.1716 1898.1813 109.7916 -206174.1307 17768.8413 0.0000 0.0000 34423.3898 -149153.7445 300.6280 -183577.1343 -149059.1254 299.1672 23.4412 57.1493 557645.3404 -16.2576 -16.4734 PRESSURE: 2171200 173.765 2.37147 123.632 2.37118 -246.893 -29.2607 123.633 -29.2614 5.3535 GPRESSURE: 2171200 188.735 31.5977 94.1985 -37.8442 -237.16 38.0349 196.591 -61.2341 74.8334 PRESSAVG: 2171200 -93.0336 -30.0079 19.6597 -30.0078 62.2517 -15.5742 19.6597 -15.5742 -14.7333 GPRESSAVG: 2171200 -91.833 -30.4381 19.0103 -29.8941 61.941 -17.8412 20.3546 -13.037 -15.9004 TIMING: 2171200 CPU: 6545.44, 0.00300728/step Wall: 6545.44, 0.00300728/step, 2.36306 hours remaining, 212.355469 MB of memory in use. ENERGY: 2171200 713.4934 2053.8370 1912.0761 111.8936 -206118.2696 17846.0892 0.0000 0.0000 34345.5257 -149135.3546 299.9480 -183480.8803 -149030.6237 299.5981 -22.5914 8.8027 558117.3906 -15.1717 -15.2641 PRESSURE: 2171400 -60.0395 -69.4595 40.9862 -69.4607 -84.8562 9.75626 40.9872 9.75684 -94.0945 GPRESSURE: 2171400 -12.8424 25.821 12.6711 -135.866 -89.0792 60.135 71.9536 4.76562 -45.7413 PRESSAVG: 2171400 11.7801 -44.6263 38.4947 -44.6263 -21.9039 -30.9341 38.4948 -30.9341 57.8372 GPRESSAVG: 2171400 12.4271 -44.6033 38.6919 -43.3941 -23.7965 -28.4938 36.6237 -31.9832 58.6476 TIMING: 2171400 CPU: 6546.04, 0.00298785/step Wall: 6546.04, 0.00298785/step, 2.34762 hours remaining, 212.355469 MB of memory in use. ENERGY: 2171400 770.7331 2068.6215 1925.9836 128.2838 -206239.8034 17684.5092 0.0000 0.0000 34503.0494 -149158.6226 301.3237 -183661.6720 -149063.2355 299.5510 -79.6634 -49.2210 557536.6383 15.9045 15.7594 PRESSURE: 2171600 -16.5926 94.8036 -40.0244 94.8034 -150.972 112.018 -40.0244 112.019 -117.493 GPRESSURE: 2171600 -6.70689 132.383 -38.4897 23.9541 -113.698 100.036 -50.5305 71.0241 -68.8045 PRESSAVG: 2171600 4.56165 36.4754 67.0472 36.4753 -12.9304 -2.40562 67.0472 -2.40572 35.7284 GPRESSAVG: 2171600 3.87497 36.3237 68.8011 35.6091 -11.9655 -2.22695 66.6784 -4.33754 35.4778 TIMING: 2171600 CPU: 6546.65, 0.003017/step Wall: 6546.65, 0.003017/step, 2.37036 hours remaining, 212.355469 MB of memory in use. ENERGY: 2171600 756.0235 2078.9906 1919.8039 115.4109 -206078.2084 17724.7136 0.0000 0.0000 34361.5714 -149121.6947 300.0881 -183483.2660 -149012.9270 298.7950 -95.0191 -63.0698 558393.5682 9.1199 9.1291 PRESSURE: 2171800 105.024 68.5982 228.049 68.5987 -38.0539 113.39 228.048 113.39 29.0684 GPRESSURE: 2171800 107.561 29.8625 210.366 116.903 54.3644 112.188 305.517 116.275 28.6009 PRESSAVG: 2171800 -9.46557 40.2379 46.352 40.238 46.4664 19.1159 46.352 19.1159 -23.3685 GPRESSAVG: 2171800 -9.09711 39.8523 47.6447 39.0783 47.8181 17.6746 47.4718 20.9407 -24.8065 TIMING: 2171800 CPU: 6547.25, 0.00301966/step Wall: 6547.25, 0.00301966/step, 2.37228 hours remaining, 212.355469 MB of memory in use. ENERGY: 2171800 754.9257 2097.2230 1915.4007 121.1790 -206302.0045 17949.5015 0.0000 0.0000 34193.1841 -149270.5905 298.6176 -183463.7746 -149171.7419 299.6038 32.0128 63.5088 557527.6327 4.5441 4.6382 PRESSURE: 2172000 -104.333 -25.0155 -2.53261 -25.0153 47.9457 -106.131 -2.53176 -106.13 -66.4991 GPRESSURE: 2172000 -69.9105 20.2998 29.8071 -60.8912 112.317 -135.553 25.8732 -92.3388 -66.9108 PRESSAVG: 2172000 1.19616 43.5279 -1.92881 43.5279 -10.8254 3.69466 -1.92874 3.69472 -20.5812 GPRESSAVG: 2172000 1.43831 45.5086 -4.06493 43.362 -12.3351 3.08669 0.146923 2.96576 -19.1719 TIMING: 2172000 CPU: 6547.86, 0.00303186/step Wall: 6547.86, 0.00303187/step, 2.3817 hours remaining, 212.433594 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: 2172000 720.8440 2145.4145 1890.7999 100.8725 -206052.4488 17771.8252 0.0000 0.0000 33987.6070 -149435.0857 296.8222 -183422.6927 -149339.2264 298.8939 -40.9621 -8.1680 558591.8449 -10.0701 -10.0229 PRESSURE: 2172200 -157.502 -3.90677 66.2096 -3.90592 30.1336 -10.2777 66.2094 -10.2776 -72.4686 GPRESSURE: 2172200 -88.1026 -12.8653 118.552 -31.8196 19.8396 22.5803 44.5034 -2.30396 -44.9682 PRESSAVG: 2172200 8.60551 27.8295 -4.31316 27.8296 13.3465 50.2829 -4.31312 50.2828 -32.2542 GPRESSAVG: 2172200 7.4798 26.142 -5.1667 29.0376 14.5205 51.5029 -7.99798 51.7062 -32.0396 TIMING: 2172200 CPU: 6548.47, 0.0030535/step Wall: 6548.47, 0.0030535/step, 2.39852 hours remaining, 212.433594 MB of memory in use. ENERGY: 2172200 761.5205 2063.7640 1930.3750 115.9810 -206179.0596 17788.7810 0.0000 0.0000 34201.0697 -149317.5685 298.6864 -183518.6382 -149219.1143 298.2494 -66.6123 -37.7437 557883.5688 -3.4341 -3.3464 LDB: ============= START OF LOAD BALANCING ============== 6551.99 LDB: ============== END OF LOAD BALANCING =============== 6551.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6551.99 LDB: ============= START OF LOAD BALANCING ============== 6552.29 LDB: Largest compute 4801 load 0.028784 is 24.4% of average load 0.117974 LDB: Average compute 0.001729 is 1.5% of average load 0.117974 LDB: TIME 6552.29 LOAD: AVG 0.117974 MAX 0.203048 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.766 MB LDB: TIME 6552.29 LOAD: AVG 0.117974 MAX 0.203048 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.836 MB LDB: TIME 6552.29 LOAD: AVG 0.117974 MAX 0.203048 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.836 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6552.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6552.3 PRESSURE: 2172400 -83.6339 -63.5778 53.4103 -63.5788 -173.577 -9.94034 53.4107 -9.93929 111.02 GPRESSURE: 2172400 -64.2069 -53.7267 40.947 -22.1386 -128.241 62.9297 84.5598 -47.3083 145.052 PRESSAVG: 2172400 15.1549 31.3582 19.2146 31.3582 -7.36737 -30.3266 19.2146 -30.3266 42.3564 GPRESSAVG: 2172400 14.6548 32.4623 20.6529 32.8122 -8.01931 -29.0333 20.6547 -31.5922 43.2636 TIMING: 2172400 CPU: 6549.08, 0.00308994/step Wall: 6549.08, 0.00308994/step, 2.42698 hours remaining, 208.738281 MB of memory in use. ENERGY: 2172400 747.2791 2088.1025 1926.2093 116.1132 -205924.2122 17666.9883 0.0000 0.0000 34244.4978 -149135.0220 299.0657 -183379.5198 -149041.6716 299.5858 -48.7306 -15.7986 558439.4142 16.7146 16.6330 PRESSURE: 2172600 197.41 58.6866 18.5295 58.6861 13.4571 90.7382 18.5287 90.7374 177.262 GPRESSURE: 2172600 259.542 -1.92698 35.5741 87.8253 21.7575 110.541 24.2915 95.2695 203.232 PRESSAVG: 2172600 -48.8875 -43.68 12.7627 -43.68 -21.3379 63.3109 12.7627 63.3108 75.3649 GPRESSAVG: 2172600 -49.1242 -42.1884 12.9796 -44.7214 -21.7699 61.8191 12.8789 65.4834 75.8392 TIMING: 2172600 CPU: 6549.69, 0.0030435/step Wall: 6549.69, 0.0030435/step, 2.39033 hours remaining, 208.738281 MB of memory in use. ENERGY: 2172600 742.2445 2120.8921 1936.3508 114.1118 -206439.6164 18101.6982 0.0000 0.0000 34337.4917 -149086.8274 299.8779 -183424.3191 -148985.8405 299.9694 129.3765 161.5106 557721.7408 1.7132 1.6483 PRESSURE: 2172800 -60.2061 94.7526 88.0743 94.7527 -8.35834 -67.9065 88.0743 -67.9077 121.437 GPRESSURE: 2172800 -35.9155 134.929 48.2582 128.536 48.2033 -103.839 107.953 -51.3839 142.915 PRESSAVG: 2172800 8.4965 -16.8486 42.8896 -16.8486 -22.2523 -34.3117 42.8897 -34.3117 43.7582 GPRESSAVG: 2172800 10.1435 -19.0676 42.2106 -17.6985 -23.0124 -32.9932 42.7322 -34.9895 42.808 TIMING: 2172800 CPU: 6550.3, 0.00302223/step Wall: 6550.3, 0.00302223/step, 2.37346 hours remaining, 208.738281 MB of memory in use. ENERGY: 2172800 731.0801 2156.4668 1917.8703 113.0710 -205862.5182 17827.5992 0.0000 0.0000 34127.0805 -148989.3504 298.0403 -183116.4309 -148901.3567 299.4216 17.6241 51.7342 557328.3405 10.0008 9.9797 PRESSURE: 2173000 -18.22 36.4388 44.4491 36.4399 -17.1942 -14.1407 44.449 -14.1413 -36.2817 GPRESSURE: 2173000 -22.0681 4.07419 11.7403 33.0595 -1.94996 12.7632 94.6422 -23.3549 50.8803 PRESSAVG: 2173000 9.62007 -15.6659 52.2049 -15.6659 12.2361 -37.1416 52.2049 -37.1416 4.21427 GPRESSAVG: 2173000 9.26001 -15.3272 51.1323 -16.6626 13.7276 -39.1881 52.5401 -36.2839 2.93992 TIMING: 2173000 CPU: 6550.9, 0.00302941/step Wall: 6550.9, 0.00302941/step, 2.37893 hours remaining, 208.738281 MB of memory in use. ENERGY: 2173000 743.6401 2135.4435 1923.3880 111.2530 -205710.1244 17688.2187 0.0000 0.0000 34065.3717 -149042.8094 297.5014 -183108.1811 -148945.9676 299.7333 -23.8986 8.9541 557354.0576 8.6902 8.6425 PRESSURE: 2173200 5.1929 -175.443 70.5925 -175.442 -114.111 11.5416 70.5916 11.5408 258.058 GPRESSURE: 2173200 3.65163 -188.232 60.8373 -208.801 -52.0478 -59.0095 96.4897 -36.259 312.746 PRESSAVG: 2173200 42.9855 7.8612 5.46015 7.86125 -52.4427 13.2823 5.46022 13.2824 83.331 GPRESSAVG: 2173200 42.4782 7.1106 5.98051 9.02494 -53.3225 14.9719 3.95701 12.0791 84.9163 TIMING: 2173200 CPU: 6551.51, 0.00302011/step Wall: 6551.51, 0.00302011/step, 2.37145 hours remaining, 208.738281 MB of memory in use. ENERGY: 2173200 737.3198 2087.0261 1912.4922 111.1354 -206366.8495 17806.0305 0.0000 0.0000 34422.5459 -149290.2995 300.6207 -183712.8454 -149203.5792 299.4518 49.7132 88.1166 556943.0641 24.6246 24.6907 PRESSURE: 2173400 -19.4404 22.4674 -95.5139 22.4662 -58.4096 36.7806 -95.5151 36.7801 -130.185 GPRESSURE: 2173400 13.3359 -3.94845 -71.9965 3.37625 -16.7044 67.7258 -92.6467 48.0117 -103.933 PRESSAVG: 2173400 -13.4537 33.6857 -22.9949 33.6857 -86.799 -12.5197 -22.9949 -12.5197 56.5296 GPRESSAVG: 2173400 -13.4729 32.9653 -24.6986 33.5922 -86.0932 -12.3124 -19.2113 -11.3988 56.1916 TIMING: 2173400 CPU: 6552.1, 0.00298457/step Wall: 6552.1, 0.00298457/step, 2.34339 hours remaining, 208.738281 MB of memory in use. ENERGY: 2173400 741.3875 2056.0595 1917.2842 117.4861 -206276.7431 17888.9668 0.0000 0.0000 34184.9985 -149370.5604 298.5461 -183555.5589 -149275.1250 299.5098 -69.3451 -35.7673 557414.1674 -14.5744 -14.4582 PRESSURE: 2173600 -164.437 -137.391 7.82174 -137.393 -143.784 -6.43526 7.82037 -6.4352 172.823 GPRESSURE: 2173600 -64.2329 -67.5307 -45.8603 -188.572 -123.418 27.8594 -52.6475 -81.0993 147.144 PRESSAVG: 2173600 63.0738 49.4317 4.87644 49.4317 -52.2963 11.793 4.8764 11.7928 32.2557 GPRESSAVG: 2173600 64.0501 52.1518 6.97328 48.4914 -52.2707 12.6547 1.58327 9.31929 30.8996 TIMING: 2173600 CPU: 6552.7, 0.00299864/step Wall: 6552.7, 0.00299864/step, 2.35427 hours remaining, 208.738281 MB of memory in use. ENERGY: 2173600 715.4347 2111.6340 1938.9785 121.9333 -206495.9900 17900.7954 0.0000 0.0000 34356.7768 -149350.4374 300.0463 -183707.2141 -149250.9473 299.5159 -45.1328 -13.5024 556302.2187 14.3444 14.2263 PRESSURE: 2173800 -107.883 133.282 -40.0997 133.282 -57.2028 -39.162 -40.0986 -39.1624 -385.182 GPRESSURE: 2173800 -77.1242 41.0799 -48.0096 97.7812 3.04827 -100.474 -83.4009 70.7571 -368.317 PRESSAVG: 2173800 52.0044 -29.2474 -10.6422 -29.2475 5.30054 -10.5109 -10.6421 -10.5109 -8.29701 GPRESSAVG: 2173800 51.2391 -30.9004 -11.1892 -29.1966 5.28985 -10.3765 -10.5953 -8.59381 -7.50583 TIMING: 2173800 CPU: 6553.31, 0.00301676/step Wall: 6553.31, 0.00301676/step, 2.36833 hours remaining, 208.738281 MB of memory in use. ENERGY: 2173800 741.4616 2102.7999 1900.6069 113.9076 -206143.2823 17714.1833 0.0000 0.0000 34268.1938 -149302.1293 299.2727 -183570.3231 -149204.2159 299.2045 -183.4228 -147.4642 557594.2121 16.3360 16.3410 PRESSURE: 2174000 16.1772 22.354 9.57525 22.3545 -35.6616 10.7346 9.57511 10.7351 -282.578 GPRESSURE: 2174000 45.1092 16.5859 49.9066 -32.1957 26.7239 1.2561 10.7112 69.6686 -286.919 PRESSAVG: 2174000 71.0731 -25.7412 -18.9748 -25.7413 0.585336 8.38156 -18.9749 8.38149 -16.4201 GPRESSAVG: 2174000 70.8584 -22.785 -20.0839 -24.9916 1.00811 5.90556 -16.1021 10.9842 -16.8479 TIMING: 2174000 CPU: 6553.91, 0.00301809/step Wall: 6553.91, 0.00301809/step, 2.3692 hours remaining, 208.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2174000 707.6493 2090.5784 1926.2202 117.6993 -205745.5081 17372.8178 0.0000 0.0000 34223.9180 -149306.6251 298.8860 -183530.5431 -149210.0774 299.0755 -100.6874 -71.6954 557015.1878 18.4128 18.3395 PRESSURE: 2174200 27.8378 224.855 32.5052 224.855 126.93 -0.176986 32.5053 -0.177125 -175.158 GPRESSURE: 2174200 39.1676 206.375 69.5658 186.079 170.055 -43.1122 31.53 8.76463 -121.11 PRESSAVG: 2174200 -2.24089 -12.8235 29.2246 -12.8236 61.22 0.306089 29.2248 0.305983 -87.8086 GPRESSAVG: 2174200 -3.2089 -13.8872 30.5368 -14.8262 60.9557 0.812431 26.025 -4.37142 -86.9594 TIMING: 2174200 CPU: 6554.52, 0.00302398/step Wall: 6554.52, 0.00302398/step, 2.37366 hours remaining, 208.738281 MB of memory in use. ENERGY: 2174200 767.8737 2088.0231 1904.9115 103.2335 -206553.7984 17827.6571 0.0000 0.0000 34543.0366 -149319.0629 301.6729 -183862.0995 -149221.5856 299.3409 -6.7966 29.3708 556346.1162 -9.6098 -9.7375 PRESSURE: 2174400 121.068 -174.946 57.1712 -174.946 -217.836 150.082 57.1712 150.082 -51.6055 GPRESSURE: 2174400 149.502 -196.127 24.4022 -107.4 -114.099 120.196 -1.23974 186.512 -75.8044 PRESSAVG: 2174400 36.443 -43.506 11.0289 -43.506 -58.551 -14.3941 11.0289 -14.3942 18.9344 GPRESSAVG: 2174400 36.8907 -43.2125 11.3971 -43.6959 -58.0253 -13.8457 12.1034 -13.1819 18.049 TIMING: 2174400 CPU: 6555.12, 0.00301199/step Wall: 6555.12, 0.00301199/step, 2.36408 hours remaining, 208.738281 MB of memory in use. ENERGY: 2174400 744.3777 2055.3290 1915.3880 97.2403 -206394.0218 17832.2312 0.0000 0.0000 34266.7002 -149482.7554 299.2596 -183749.4556 -149382.7356 298.7155 -49.4578 -13.4671 556300.4207 -1.0579 -1.0285 PRESSURE: 2174600 121.791 182.82 16.8836 182.82 116.68 52.3419 16.8829 52.3415 -131.762 GPRESSURE: 2174600 149.917 169.065 104.263 138.973 150.383 26.9547 43.0747 -3.93439 -97.306 PRESSAVG: 2174600 29.5745 -5.87497 42.137 -5.87486 -13.9404 -7.62308 42.137 -7.62301 -26.6938 GPRESSAVG: 2174600 29.7992 -7.31136 41.4256 -4.43087 -14.491 -7.3163 41.9043 -7.84639 -26.194 TIMING: 2174600 CPU: 6555.71, 0.0029775/step Wall: 6555.71, 0.0029775/step, 2.33684 hours remaining, 208.738281 MB of memory in use. ENERGY: 2174600 741.9539 2071.6404 1907.8613 120.0475 -206198.3882 17748.5036 0.0000 0.0000 34267.3316 -149341.0499 299.2651 -183608.3815 -149243.9708 298.9742 35.5696 67.6648 557016.6552 -3.6866 -3.6286 PRESSURE: 2174800 141.238 -0.0563247 26.3255 -0.057946 153.968 -203.256 26.3243 -203.256 -73.0017 GPRESSURE: 2174800 169.388 53.3586 17.1658 -27.5937 192.25 -187.804 49.3107 -224.82 -39.2718 PRESSAVG: 2174800 56.0764 92.5839 -3.522 92.5838 8.9522 5.6344 -3.52201 5.63446 -84.8495 GPRESSAVG: 2174800 55.8269 94.2213 -2.83245 92.5855 8.95187 4.28512 -3.91324 6.3829 -84.3003 TIMING: 2174800 CPU: 6556.31, 0.00300236/step Wall: 6556.31, 0.00300236/step, 2.35619 hours remaining, 208.738281 MB of memory in use. ENERGY: 2174800 689.5153 2114.0101 1905.2499 114.6658 -206110.7398 17737.8190 0.0000 0.0000 34350.9737 -149198.5059 299.9956 -183549.4796 -149098.6596 299.4974 74.0678 107.4553 557843.6837 -6.6070 -6.5072 PRESSURE: 2175000 51.4135 33.7231 -62.957 33.721 80.295 21.4627 -62.9564 21.4627 99.6558 GPRESSURE: 2175000 174.305 -54.4771 -63.4952 -1.09527 64.4935 60.8062 -48.8575 -50.4527 92.0279 PRESSAVG: 2175000 -13.1612 -8.67751 -21.4133 -8.67749 47.2313 -41.4117 -21.4132 -41.4117 -38.8339 GPRESSAVG: 2175000 -12.1705 -9.99256 -21.0134 -6.93949 46.9824 -38.9017 -23.1509 -42.1439 -39.2757 TIMING: 2175000 CPU: 6556.91, 0.00298824/step Wall: 6556.91, 0.00298824/step, 2.34494 hours remaining, 208.941406 MB of memory in use. ENERGY: 2175000 751.8715 2093.0992 1905.1740 111.4691 -206393.0302 17909.8799 0.0000 0.0000 34175.0573 -149446.4793 298.4593 -183621.5366 -149353.7085 299.2475 77.1214 110.2756 556692.2711 -1.5879 -1.4879 PRESSURE: 2175200 -128.082 -79.1297 84.1958 -79.131 -160.737 86.1371 84.1955 86.1362 -66.199 GPRESSURE: 2175200 -66.0041 19.9407 25.2048 -76.0435 -124.219 130.217 84.9806 148.938 -65.2449 PRESSAVG: 2175200 19.2246 -16.7175 24.059 -16.7174 -1.92512 40.2378 24.0589 40.2378 26.9558 GPRESSAVG: 2175200 18.0553 -17.8703 23.5388 -16.1397 -1.80845 39.5094 23.095 39.0079 27.8364 TIMING: 2175200 CPU: 6557.5, 0.00296533/step Wall: 6557.5, 0.00296533/step, 2.3268 hours remaining, 208.941406 MB of memory in use. ENERGY: 2175200 745.4568 2055.6189 1945.9422 118.0886 -206178.1106 17733.0550 0.0000 0.0000 34207.1855 -149372.7636 298.7399 -183579.9491 -149267.4610 298.8846 -118.3395 -85.1559 558614.4271 14.7518 14.6944 PRESSURE: 2175400 -148.598 0.400131 -167.67 0.399748 -303.121 88.9854 -167.67 88.9852 -100.429 GPRESSURE: 2175400 -145.799 64.9462 -186.502 -50.0348 -303.635 152.347 -99.3707 120.032 -7.34536 PRESSAVG: 2175400 17.6019 -2.79398 -74.4739 -2.79394 42.3653 17.4496 -74.4738 17.4495 -4.0392 GPRESSAVG: 2175400 18.3525 -1.56112 -75.5443 -4.83999 42.8631 16.3998 -71.3015 18.4172 -5.20078 TIMING: 2175400 CPU: 6558.1, 0.00299903/step Wall: 6558.1, 0.00299903/step, 2.35307 hours remaining, 208.941406 MB of memory in use. ENERGY: 2175400 747.2488 2045.6891 1914.3999 112.7894 -206231.7977 17622.1167 0.0000 0.0000 34223.5433 -149566.0105 298.8827 -183789.5539 -149468.1057 297.6871 -184.0493 -152.2596 557886.0181 18.6427 18.6716 PRESSURE: 2175600 -66.1065 -8.82915 190.846 -8.82962 -291.356 51.4119 190.845 51.4111 188.406 GPRESSURE: 2175600 -46.9334 -7.44456 219.949 -95.4085 -254.841 34.3232 186.528 15.2475 229.786 PRESSAVG: 2175600 1.14542 -22.2981 -60.5741 -22.2981 -7.52524 11.5937 -60.574 11.5938 12.9551 GPRESSAVG: 2175600 0.0325962 -21.244 -58.5471 -23.3422 -6.05181 10.0499 -62.1189 13.5615 12.637 TIMING: 2175600 CPU: 6558.7, 0.00298525/step Wall: 6558.7, 0.00298525/step, 2.3421 hours remaining, 208.941406 MB of memory in use. ENERGY: 2175600 763.6776 2118.3358 1903.5803 104.1813 -206494.8080 17904.1487 0.0000 0.0000 34291.6239 -149409.2604 299.4773 -183700.8844 -149320.7280 298.4251 -56.3521 -23.9962 557703.0404 2.1918 2.2059 PRESSURE: 2175800 -370.965 27.9262 39.0797 27.9265 -177.729 46.2436 39.0795 46.2426 -21.3373 GPRESSURE: 2175800 -281.766 29.6808 -41.8718 96.8321 -132.468 -31.1629 65.0756 -0.993928 -55.1946 PRESSAVG: 2175800 -14.703 6.98184 -26.2766 6.98195 13.3123 6.12557 -26.2766 6.12546 28.0952 GPRESSAVG: 2175800 -14.4941 5.9087 -25.5755 6.42883 12.8274 7.65898 -26.6229 4.45253 28.8817 TIMING: 2175800 CPU: 6559.3, 0.00298998/step Wall: 6559.3, 0.00298998/step, 2.34564 hours remaining, 208.941406 MB of memory in use. ENERGY: 2175800 726.7356 2052.4433 1933.6621 101.1116 -205999.1810 17629.0167 0.0000 0.0000 34076.6626 -149479.5490 297.6000 -183556.2116 -149383.1953 298.7845 -190.0106 -156.4762 559102.7936 8.9015 9.0717 PRESSURE: 2176000 121.471 70.3488 165.265 70.3482 44.1798 -1.76945 165.264 -1.76815 -82.9991 GPRESSURE: 2176000 178.788 44.0579 149.732 54.5852 73.7762 31.3058 164.308 -10.336 -75.5606 PRESSAVG: 2176000 -48.9257 -21.8591 7.8339 -21.8592 14.4383 61.4864 7.83385 61.4864 21.2019 GPRESSAVG: 2176000 -48.1728 -21.0249 4.58323 -20.6694 14.6789 63.0594 7.43796 62.0672 19.9817 TIMING: 2176000 CPU: 6559.9, 0.0030207/step Wall: 6559.9, 0.0030207/step, 2.36957 hours remaining, 208.941406 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: 2176000 736.6275 2115.1755 1894.8867 109.7845 -206378.0312 17896.5806 0.0000 0.0000 34100.2666 -149524.7098 297.8061 -183624.9764 -149423.3759 298.7017 27.5506 59.0011 557352.6382 -4.4285 -4.5041 PRESSURE: 2176200 25.3833 98.5248 18.5531 98.5241 -128.261 -19.5328 18.5529 -19.5353 -298.653 GPRESSURE: 2176200 78.1897 109.84 30.6614 39.8404 -50.4849 -25.7144 35.3259 -84.9837 -320.615 PRESSAVG: 2176200 80.3058 -50.4959 9.52847 -50.496 20.9088 -37.7854 9.52846 -37.7854 -55.0278 GPRESSAVG: 2176200 80.7474 -49.631 11.8493 -50.017 19.6203 -39.5619 10.7517 -36.858 -54.3545 TIMING: 2176200 CPU: 6560.52, 0.00306005/step Wall: 6560.52, 0.00306005/step, 2.40027 hours remaining, 208.941406 MB of memory in use. ENERGY: 2176200 768.5943 1991.4974 1933.6067 111.4398 -206449.0291 17734.6462 0.0000 0.0000 34201.0306 -149708.2142 298.6861 -183909.2448 -149604.3565 298.7863 -133.8436 -97.6369 556755.1295 15.3956 15.3378 LDB: ============= START OF LOAD BALANCING ============== 6564.04 LDB: ============== END OF LOAD BALANCING =============== 6564.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6564.04 LDB: ============= START OF LOAD BALANCING ============== 6564.34 LDB: Largest compute 4800 load 0.029145 is 24.7% of average load 0.118029 LDB: Average compute 0.001732 is 1.5% of average load 0.118029 LDB: TIME 6564.34 LOAD: AVG 0.118029 MAX 0.205666 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.77 MB LDB: TIME 6564.34 LOAD: AVG 0.118029 MAX 0.205666 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.77 MB LDB: TIME 6564.34 LOAD: AVG 0.118029 MAX 0.205666 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.77 MB LDB: ============== END OF LOAD BALANCING =============== 6564.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6564.35 PRESSURE: 2176400 -113.376 -71.9924 -97.2299 -71.9921 153.077 93.9647 -97.2297 93.9651 96.4379 GPRESSURE: 2176400 -127.608 10.7881 -125.76 -21.0727 190.054 87.7467 -89.8805 125.076 168.877 PRESSAVG: 2176400 2.65833 -28.1247 42.859 -28.1247 -10.2613 4.86895 42.8591 4.86908 -6.49683 GPRESSAVG: 2176400 0.711233 -29.3959 42.7696 -27.3933 -10.0355 3.97811 41.3017 4.87172 -5.15494 TIMING: 2176400 CPU: 6561.13, 0.00308406/step Wall: 6561.13, 0.00308406/step, 2.41893 hours remaining, 208.746094 MB of memory in use. ENERGY: 2176400 703.9151 2049.1635 1930.9052 117.6732 -206572.2804 17962.3406 0.0000 0.0000 34240.2590 -149568.0236 299.0287 -183808.2826 -149472.0785 298.5915 45.3798 77.1076 556893.8800 -4.6999 -4.8264 PRESSURE: 2176600 -265.45 11.2224 32.046 11.2218 -13.3563 -76.6096 32.046 -76.6096 -234.757 GPRESSURE: 2176600 -225.826 -87.8014 35.3239 -11.7819 -9.13595 -1.39861 17.3766 -10.0133 -192.382 PRESSAVG: 2176600 20.3583 -31.2901 -15.6428 -31.2901 -3.26642 7.10584 -15.6428 7.10579 6.11318 GPRESSAVG: 2176600 21.7236 -32.3495 -17.8949 -31.6095 -3.36903 9.89128 -12.0189 6.93832 4.52059 TIMING: 2176600 CPU: 6561.74, 0.00305654/step Wall: 6561.74, 0.00305654/step, 2.39718 hours remaining, 208.816406 MB of memory in use. ENERGY: 2176600 753.7842 2076.5119 1924.5667 109.9397 -206042.6681 17633.8628 0.0000 0.0000 34186.9047 -149357.0981 298.5627 -183544.0028 -149262.6830 298.9482 -171.1880 -142.4480 558752.4588 7.7350 7.6250 PRESSURE: 2176800 -68.2395 24.8529 12.8436 24.8524 -223.913 81.3471 12.8427 81.3452 -177.848 GPRESSURE: 2176800 -53.0327 -83.0291 -5.23976 42.6451 -101.562 122.886 54.6956 47.8949 -216.53 PRESSAVG: 2176800 48.0271 -28.7685 -11.8458 -28.7686 -32.4186 -99.6439 -11.8458 -99.6441 -30.6046 GPRESSAVG: 2176800 46.9707 -28.4707 -10.5768 -30.0978 -33.0635 -100.508 -14.6194 -99.1821 -28.6191 TIMING: 2176800 CPU: 6562.36, 0.00306943/step Wall: 6562.36, 0.00306943/step, 2.40712 hours remaining, 208.816406 MB of memory in use. ENERGY: 2176800 732.2075 2131.8935 1925.0073 106.2423 -206339.9080 17674.9847 0.0000 0.0000 34254.4036 -149515.1691 299.1522 -183769.5726 -149417.4531 298.7096 -156.6667 -123.7083 557293.0669 -4.9987 -4.9040 PRESSURE: 2177000 199.313 32.7733 -168.12 32.7728 365.953 188.598 -168.119 188.599 231.265 GPRESSURE: 2177000 209.074 80.8896 -209.059 -22.0326 378.761 208.862 -53.8223 144.384 289.927 PRESSAVG: 2177000 -23.7819 -33.0382 -8.72571 -33.0383 58.9971 -10.8019 -8.72572 -10.8019 -6.22558 GPRESSAVG: 2177000 -22.5837 -32.2495 -8.52433 -29.7336 59.2435 -11.2962 -8.5203 -12.4783 -7.19417 TIMING: 2177000 CPU: 6562.98, 0.0030921/step Wall: 6562.98, 0.0030921/step, 2.42472 hours remaining, 208.816406 MB of memory in use. ENERGY: 2177000 698.0676 2055.3901 1927.7155 100.1891 -206561.6604 18211.3079 0.0000 0.0000 34087.4558 -149481.5345 297.6942 -183568.9902 -149384.3549 298.7914 265.5102 292.5873 557099.6043 9.6632 9.8219 PRESSURE: 2177200 -181.631 -212.758 92.984 -212.758 28.1754 -58.676 92.9833 -58.6753 -12.4706 GPRESSURE: 2177200 -107.388 -206.355 107.732 -153.067 30.1441 -78.2385 84.7237 -54.1644 24.6875 PRESSAVG: 2177200 -8.51335 -55.6274 66.6564 -55.6273 -31.0212 -35.6169 66.6565 -35.6169 4.26318 GPRESSAVG: 2177200 -9.17565 -54.2937 65.2665 -57.8309 -29.6503 -38.0045 66.8203 -33.2881 4.32837 TIMING: 2177200 CPU: 6563.58, 0.00302637/step Wall: 6563.58, 0.00302637/step, 2.37301 hours remaining, 208.816406 MB of memory in use. ENERGY: 2177200 759.5402 2129.5029 1948.9290 107.3629 -206371.1121 17722.2972 0.0000 0.0000 34212.8648 -149490.6152 298.7895 -183703.4800 -149384.3926 298.2649 -55.3087 -17.5187 556953.1779 -11.7571 -11.4992 PRESSURE: 2177400 159.237 92.2341 82.8022 92.2348 132.377 -43.3935 82.8019 -43.3932 -19.0278 GPRESSURE: 2177400 163.978 154.463 85.3586 25.951 203.19 26.1304 85.3118 -111.325 -7.32781 PRESSAVG: 2177400 102.509 -45.1601 51.905 -45.1602 -49.855 -24.2076 51.9051 -24.2077 -80.0241 GPRESSAVG: 2177400 102.455 -47.0317 51.328 -43.9215 -50.4759 -23.9624 52.0881 -26.2827 -79.5329 TIMING: 2177400 CPU: 6564.19, 0.00304051/step Wall: 6564.19, 0.00304051/step, 2.38393 hours remaining, 208.816406 MB of memory in use. ENERGY: 2177400 750.1659 2058.4331 1952.4734 124.9556 -206536.3026 18134.0054 0.0000 0.0000 34329.8231 -149186.4462 299.8109 -183516.2693 -149088.0029 298.8578 90.8621 119.9465 557459.9159 -9.1232 -9.1846 PRESSURE: 2177600 151.684 -114.717 28.114 -114.716 61.475 -152.508 28.114 -152.508 116.054 GPRESSURE: 2177600 202.8 -73.7207 36.4373 -167.583 45.9901 -158.252 100.928 -206.63 172.631 PRESSAVG: 2177600 35.3673 -42.2616 -13.1037 -42.2617 -13.3886 -73.2212 -13.1036 -73.2211 25.9351 GPRESSAVG: 2177600 37.5413 -40.6022 -13.8638 -44.9579 -15.0498 -69.8433 -11.6861 -71.9155 26.0867 TIMING: 2177600 CPU: 6564.79, 0.0030197/step Wall: 6564.79, 0.00301971/step, 2.36745 hours remaining, 208.816406 MB of memory in use. ENERGY: 2177600 753.6607 2109.3717 1939.3029 109.1344 -206427.5234 17910.0836 0.0000 0.0000 34407.4218 -149198.5484 300.4886 -183605.9702 -149101.5263 299.1242 109.7376 140.4736 555680.3238 15.9712 16.1927 PRESSURE: 2177800 -75.8037 -61.3279 -205.144 -61.3266 -100.421 10.9803 -205.145 10.9798 10.0034 GPRESSURE: 2177800 -46.2034 -14.2628 -213.29 -161.857 -88.2562 1.21044 -168.432 41.7443 52.1132 PRESSAVG: 2177800 28.8594 -77.384 5.24409 -77.3839 -29.904 -7.03124 5.24416 -7.03135 8.96613 GPRESSAVG: 2177800 28.7268 -78.7312 8.64134 -75.2019 -27.8449 -7.11458 1.90023 -7.58386 7.5125 TIMING: 2177800 CPU: 6565.4, 0.00304531/step Wall: 6565.4, 0.00304531/step, 2.38735 hours remaining, 208.816406 MB of memory in use. ENERGY: 2177800 749.9640 2104.5100 1931.6132 118.1378 -205836.0308 17751.5163 0.0000 0.0000 33904.2985 -149275.9911 296.0947 -183180.2895 -149174.4619 298.9933 -55.4071 -27.4488 558680.6115 2.6405 2.7982 PRESSURE: 2178000 -126.158 -80.4736 17.2354 -80.4745 -174.426 -100.415 17.234 -100.417 -74.6427 GPRESSURE: 2178000 -73.7983 -94.2574 34.8812 -133.704 -113.716 -197.791 -35.5203 -143.94 -91.2237 PRESSAVG: 2178000 -12.6113 -112.682 31.2207 -112.682 -35.289 3.66382 31.2207 3.66377 3.76135 GPRESSAVG: 2178000 -13.759 -111.862 27.011 -114.303 -36.4945 3.0829 33.9844 3.10072 5.81656 TIMING: 2178000 CPU: 6566.01, 0.00305016/step Wall: 6566.01, 0.00305016/step, 2.39099 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: 2178000 748.0696 2160.1400 1938.0854 126.7379 -206159.1299 17785.8732 0.0000 0.0000 34296.6342 -149103.5896 299.5210 -183400.2238 -149014.8603 299.2947 -125.0756 -92.9126 558822.3363 -14.7130 -14.8123 PRESSURE: 2178200 -75.4213 21.9981 -58.2508 21.9978 203.408 44.0467 -58.2503 44.0464 -139.499 GPRESSURE: 2178200 -66.0265 -18.3746 -137.304 89.5238 229.146 22.649 -14.5888 76.9831 -87.7016 PRESSAVG: 2178200 -5.0282 -28.0823 11.7603 -28.0823 69.2161 -18.1686 11.7603 -18.1686 -98.8243 GPRESSAVG: 2178200 -5.01025 -28.7565 13.1029 -26.5745 68.4057 -16.7482 10.6372 -21.0362 -98.4499 TIMING: 2178200 CPU: 6566.62, 0.00305104/step Wall: 6566.62, 0.00305104/step, 2.3915 hours remaining, 208.816406 MB of memory in use. ENERGY: 2178200 747.0705 2085.2674 1905.1590 120.3293 -205619.5742 17544.6130 0.0000 0.0000 34214.3878 -149002.7472 298.8028 -183217.1350 -148902.7419 299.9866 -3.8374 25.1393 558578.0990 -11.5455 -11.6848 PRESSURE: 2178400 -268.825 -120.934 31.0456 -120.934 178.128 -40.2014 31.0444 -40.2008 -169.577 GPRESSURE: 2178400 -214.384 -40.0544 20.5773 -130.506 197.857 -101.794 -2.93901 -32.7388 -155.326 PRESSAVG: 2178400 -60.6365 -16.4932 -46.1202 -16.4932 71.1476 15.8209 -46.1202 15.8208 -29.4015 GPRESSAVG: 2178400 -60.7938 -14.995 -46.6923 -18.2343 70.9035 14.104 -46.9952 20.0049 -29.6811 TIMING: 2178400 CPU: 6567.23, 0.00304294/step Wall: 6567.23, 0.00304294/step, 2.38499 hours remaining, 208.816406 MB of memory in use. ENERGY: 2178400 741.9414 2138.2121 1919.1204 116.4192 -205898.2354 17740.7982 0.0000 0.0000 34284.2476 -148957.4965 299.4129 -183241.7441 -148858.2089 299.9316 -86.7583 -57.2841 560636.5189 -6.2968 -6.5238 PRESSURE: 2178600 -457.682 -83.0557 71.1059 -83.0553 -208.095 61.9922 71.1047 61.9915 -320.873 GPRESSURE: 2178600 -421.523 -68.2785 84.4913 -125.916 -154.613 8.00625 136.278 95.4067 -326.838 PRESSAVG: 2178600 -18.681 -47.697 -28.6884 -47.6971 32.9622 3.24675 -28.6883 3.24663 12.1093 GPRESSAVG: 2178600 -18.6647 -47.8844 -27.9378 -45.9899 33.1042 3.77546 -28.7409 1.70995 11.9242 TIMING: 2178600 CPU: 6567.84, 0.00305516/step Wall: 6567.84, 0.00305516/step, 2.39439 hours remaining, 208.816406 MB of memory in use. ENERGY: 2178600 751.0820 2104.0591 1909.2451 115.9767 -205646.8477 17405.9077 0.0000 0.0000 34362.1519 -148998.4250 300.0932 -183360.5770 -148898.8365 299.9033 -328.8830 -300.9913 560313.7818 8.7968 8.7879 PRESSURE: 2178800 -399.011 0.793895 -17.3065 0.794502 -288.387 -70.9082 -17.3084 -70.9073 -71.1446 GPRESSURE: 2178800 -348.749 22.5222 3.95222 78.5425 -293.504 -80.6299 -22.2598 -57.6489 -26.6352 PRESSAVG: 2178800 -86.6485 18.6499 12.0018 18.6499 60.4109 33.3513 12.0017 33.3513 45.9532 GPRESSAVG: 2178800 -86.2744 17.5107 11.2682 18.9061 60.9314 30.3303 13.1852 35.5707 45.2431 TIMING: 2178800 CPU: 6568.45, 0.00303991/step Wall: 6568.45, 0.00303991/step, 2.38227 hours remaining, 208.816406 MB of memory in use. ENERGY: 2178800 755.5221 2091.4268 1907.9912 112.1106 -205710.0304 17478.4902 0.0000 0.0000 34456.1658 -148908.3237 300.9143 -183364.4895 -148805.7004 300.4889 -252.8477 -222.9626 559199.0343 6.5719 6.6334 PRESSURE: 2179000 113.896 28.4905 -13.5231 28.4888 38.9412 227.707 -13.5235 227.708 39.9419 GPRESSURE: 2179000 121.389 -15.1921 -23.1378 90.4686 95.4015 144.004 -98.271 208.049 81.7561 PRESSAVG: 2179000 -11.4301 5.34423 -49.7911 5.34417 13.1871 63.2823 -49.791 63.2824 -17.9419 GPRESSAVG: 2179000 -11.8108 6.87032 -49.1679 3.33117 12.987 66.8009 -52.1347 61.1971 -17.5633 TIMING: 2179000 CPU: 6569.06, 0.00304315/step Wall: 6569.06, 0.00304315/step, 2.38464 hours remaining, 208.816406 MB of memory in use. ENERGY: 2179000 764.0936 2090.4828 1947.2423 104.0113 -206367.9148 18057.7052 0.0000 0.0000 34431.6086 -148972.7710 300.6998 -183404.3796 -148866.4590 300.6320 64.2597 99.5156 557265.9136 -5.3950 -5.4624 PRESSURE: 2179200 -133.114 -74.2768 102.545 -74.2771 -65.5568 -86.2268 102.543 -86.2305 -396.992 GPRESSURE: 2179200 -113.456 -55.7296 141.206 -64.1936 6.68509 -184.979 28.4255 18.9891 -387.855 PRESSAVG: 2179200 25.958 -55.3642 -75.0651 -55.3642 1.1852 70.756 -75.0651 70.7558 -39.303 GPRESSAVG: 2179200 25.3663 -54.9617 -75.7139 -55.9664 2.1315 69.2666 -72.7295 71.1989 -39.0384 TIMING: 2179200 CPU: 6569.66, 0.00300728/step Wall: 6569.66, 0.00300728/step, 2.35637 hours remaining, 208.816406 MB of memory in use. ENERGY: 2179200 755.8993 2123.0669 1931.5721 117.0842 -205877.9493 17657.9246 0.0000 0.0000 34247.7189 -149044.6833 299.0938 -183292.4022 -148949.0009 299.7964 -198.5543 -164.8754 559023.5888 -4.0533 -3.8469 PRESSURE: 2179400 301.98 -110.917 -82.6817 -110.916 285.284 -165.146 -82.6824 -165.147 73.3725 GPRESSURE: 2179400 334.693 -131.917 -78.616 -86.6158 333.185 -200.062 -154.249 -172.021 93.4141 PRESSAVG: 2179400 55.4626 8.19805 -4.26853 8.19807 17.4844 -11.7042 -4.26849 -11.7041 -36.8736 GPRESSAVG: 2179400 55.7828 7.79966 -3.56246 9.30774 17.1517 -12.834 -5.08586 -10.8387 -37.0041 TIMING: 2179400 CPU: 6570.26, 0.0030129/step Wall: 6570.26, 0.0030129/step, 2.36061 hours remaining, 208.816406 MB of memory in use. ENERGY: 2179400 745.9478 2081.6190 1923.3958 106.0150 -206334.4955 18096.5851 0.0000 0.0000 34357.1742 -149023.7586 300.0497 -183380.9328 -148922.2329 299.6443 220.2120 253.7640 557419.3076 12.0245 11.9768 PRESSURE: 2179600 -98.0428 -37.3803 118.096 -37.3809 111.579 -29.4485 118.095 -29.4475 -60.0256 GPRESSURE: 2179600 -40.5768 -2.12612 125.342 32.1885 100.41 -46.693 137.034 -23.4374 -14.8024 PRESSAVG: 2179600 8.29164 49.8847 -27.5329 49.8848 33.109 -36.8518 -27.533 -36.8518 -14.3606 GPRESSAVG: 2179600 7.21205 47.126 -26.9499 51.0058 32.9155 -35.4238 -27.1879 -37.5932 -13.4303 TIMING: 2179600 CPU: 6570.86, 0.00300428/step Wall: 6570.86, 0.00300428/step, 2.35368 hours remaining, 208.816406 MB of memory in use. ENERGY: 2179600 714.7788 2090.0332 1950.8174 127.9252 -205785.6963 17800.5839 0.0000 0.0000 34192.7830 -148908.7748 298.6141 -183101.5578 -148815.8325 299.9853 -15.4966 15.0102 557302.3377 9.0134 8.8991 PRESSURE: 2179800 169.997 -178.455 -104.095 -178.456 106.398 50.3203 -104.094 50.3187 365.385 GPRESSURE: 2179800 201.927 -174.831 -70.3556 -167.631 142.767 73.555 -90.5864 82.2536 392.719 PRESSAVG: 2179800 -33.4329 -0.362168 46.1977 -0.362035 60.3947 64.5007 46.1977 64.5006 17.5025 GPRESSAVG: 2179800 -32.2083 1.86141 46.3152 -2.78923 59.6096 63.9331 45.9816 66.0035 18.0065 TIMING: 2179800 CPU: 6571.47, 0.00302966/step Wall: 6571.47, 0.00302966/step, 2.3734 hours remaining, 208.816406 MB of memory in use. ENERGY: 2179800 729.9416 2099.7742 1964.7431 108.9827 -206255.5147 17960.8610 0.0000 0.0000 34470.1611 -148921.0510 301.0365 -183391.2121 -148821.8708 300.0011 213.9265 245.8043 555783.7519 14.8214 15.1360 PRESSURE: 2180000 -140.503 -10.4579 -54.8078 -10.4569 62.5163 -43.2691 -54.8078 -43.2686 107.127 GPRESSURE: 2180000 -35.7207 -21.2823 -163.101 -44.6482 73.4152 3.1585 93.2569 -54.0742 82.7832 PRESSAVG: 2180000 -54.7161 -34.0215 -48.5428 -34.0214 78.1146 -8.05012 -48.5428 -8.05015 32.9516 GPRESSAVG: 2180000 -54.4483 -35.3299 -51.8457 -33.4753 78.4995 -8.15997 -48.837 -8.92068 32.192 TIMING: 2180000 CPU: 6572.08, 0.00302822/step Wall: 6572.08, 0.00302822/step, 2.3721 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: 2180000 741.0799 2060.0201 1920.0414 116.2651 -205610.4806 17620.0662 0.0000 0.0000 34424.3370 -148728.6709 300.6363 -183153.0079 -148624.8653 300.5352 9.7134 40.1592 557387.9838 18.7834 18.7477 PRESSURE: 2180200 -71.1553 -67.7141 22.3641 -67.7133 -71.1446 107.442 22.3644 107.442 291.862 GPRESSURE: 2180200 35.5543 -17.8201 30.1222 -38.3331 -91.0501 48.6435 33.9422 95.8078 297.468 PRESSAVG: 2180200 -55.7402 24.6662 17.926 24.6662 -12.2565 -24.7598 17.9259 -24.76 24.0346 GPRESSAVG: 2180200 -54.9636 26.4468 20.7148 26.1692 -12.6113 -26.3754 17.3823 -23.715 23.6233 TIMING: 2180200 CPU: 6572.68, 0.00300328/step Wall: 6572.68, 0.00300328/step, 2.3524 hours remaining, 208.816406 MB of memory in use. ENERGY: 2180200 677.7359 2111.5850 1946.0060 120.7109 -205691.3373 17785.1620 0.0000 0.0000 34399.9902 -148650.1473 300.4237 -183050.1375 -148557.0401 301.0581 49.8542 80.6575 558773.2224 -14.6541 -14.6506 LDB: ============= START OF LOAD BALANCING ============== 6576.19 LDB: ============== END OF LOAD BALANCING =============== 6576.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6576.19 LDB: ============= START OF LOAD BALANCING ============== 6576.49 LDB: Largest compute 4800 load 0.028562 is 24.2% of average load 0.118028 LDB: Average compute 0.001729 is 1.5% of average load 0.118028 LDB: TIME 6576.49 LOAD: AVG 0.118028 MAX 0.20392 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.941 MB LDB: TIME 6576.49 LOAD: AVG 0.118028 MAX 0.20392 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209 MB LDB: TIME 6576.49 LOAD: AVG 0.118028 MAX 0.20392 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209 MB LDB: ============== END OF LOAD BALANCING =============== 6576.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6576.5 PRESSURE: 2180400 65.0738 43.9753 80.4748 43.9761 -87.3607 146.158 80.4743 146.157 -82.8709 GPRESSURE: 2180400 42.6112 136.342 160.2 1.06819 -9.98521 158.164 -10.9654 131.979 -37.4188 PRESSAVG: 2180400 -26.9658 38.3605 34.5043 38.3604 9.05353 -16.0253 34.5042 -16.0253 -4.53728 GPRESSAVG: 2180400 -29.1324 36.7818 34.1831 38.8662 10.9514 -13.0551 34.3699 -15.9867 -4.76236 TIMING: 2180400 CPU: 6573.28, 0.00302996/step Wall: 6573.28, 0.00302996/step, 2.37313 hours remaining, 208.429688 MB of memory in use. ENERGY: 2180400 719.1326 2067.8685 1949.6704 108.1469 -205757.8110 17702.8417 0.0000 0.0000 34424.0934 -148786.0574 300.6342 -183210.1509 -148692.7881 300.9152 -35.0526 -1.5976 558435.3185 -7.4832 -7.6478 PRESSURE: 2180600 -83.7964 93.6313 -128.467 93.6313 225.462 87.3299 -128.467 87.3292 108.123 GPRESSURE: 2180600 -80.2318 154.898 -99.6685 -38.8192 276.368 100.679 -160.429 143.411 151.436 PRESSAVG: 2180600 -48.1674 57.3242 14.3899 57.3242 4.45685 -11.1835 14.3899 -11.1835 51.9287 GPRESSAVG: 2180600 -47.2331 58.3001 13.6556 54.3292 3.25486 -11.6833 13.212 -12.7476 51.6186 TIMING: 2180600 CPU: 6573.88, 0.00298407/step Wall: 6573.88, 0.00298407/step, 2.33702 hours remaining, 208.429688 MB of memory in use. ENERGY: 2180600 738.0987 2086.6298 1911.9975 101.2691 -205565.6221 17664.4897 0.0000 0.0000 34373.2140 -148689.9234 300.1898 -183063.1374 -148598.5346 301.3337 83.2626 115.8575 557426.8171 2.7394 2.5468 PRESSURE: 2180800 56.9258 23.4707 13.9836 23.4692 -4.88178 -68.8416 13.9836 -68.8407 89.1503 GPRESSURE: 2180800 76.0904 -46.1179 61.3883 97.7031 86.5022 -122.495 -14.6281 1.82945 70.4754 PRESSAVG: 2180800 -73.0057 -36.9288 10.7836 -36.9288 41.64 -21.631 10.7836 -21.6309 2.35206 GPRESSAVG: 2180800 -71.9759 -35.8078 11.4764 -36.1064 41.3172 -22.3324 11.7966 -19.9261 1.55619 TIMING: 2180800 CPU: 6574.47, 0.00296131/step Wall: 6574.47, 0.00296131/step, 2.31903 hours remaining, 208.429688 MB of memory in use. ENERGY: 2180800 723.2491 2088.4721 1910.2543 110.2984 -205949.3347 17860.2811 0.0000 0.0000 34523.4625 -148733.3172 301.5020 -183256.7797 -148631.7242 300.8741 47.0648 77.6894 557908.2185 -9.6712 -9.7008 PRESSURE: 2181000 -281.076 15.6349 54.806 15.6346 -99.6612 26.8911 54.8058 26.8922 -113.972 GPRESSURE: 2181000 -254.218 68.3714 55.4051 -58.3702 -101.558 24.7245 60.3819 168.065 -49.6819 PRESSAVG: 2181000 -62.86 50.5199 20.5076 50.5199 -21.2985 34.3472 20.5075 34.3473 107.705 GPRESSAVG: 2181000 -63.6504 47.8881 20.2578 52.0505 -21.5496 35.3351 20.6598 35.4249 109.022 TIMING: 2181000 CPU: 6575.07, 0.00299435/step Wall: 6575.07, 0.00299435/step, 2.34474 hours remaining, 208.429688 MB of memory in use. ENERGY: 2181000 761.2868 2091.3247 1912.8338 109.9487 -205859.4744 17504.5893 0.0000 0.0000 34419.7875 -149059.7036 300.5966 -183479.4911 -148961.4345 300.5729 -164.9030 -135.1526 557478.8927 7.8489 7.9408 PRESSURE: 2181200 -107.573 -61.8126 111.766 -61.8139 -126.511 -68.4317 111.766 -68.4311 -533.79 GPRESSURE: 2181200 -141.695 -37.1934 129.01 -50.1264 -91.5822 -50.8264 99.7893 -66.2867 -449.349 PRESSAVG: 2181200 -31.121 22.333 31.9981 22.333 57.2673 36.6247 31.9982 36.6246 2.17813 GPRESSAVG: 2181200 -31.3704 24.4869 31.6878 20.2933 56.977 35.4756 31.3276 35.6562 3.07425 TIMING: 2181200 CPU: 6575.67, 0.00301252/step Wall: 6575.67, 0.00301252/step, 2.3588 hours remaining, 208.429688 MB of memory in use. ENERGY: 2181200 766.0102 2136.0684 1955.4975 113.1597 -205642.4911 17443.7534 0.0000 0.0000 34390.5788 -148837.4230 300.3415 -183228.0019 -148732.3529 299.7283 -255.9580 -227.5421 558786.4565 9.4415 9.5603 PRESSURE: 2181400 -230.207 158.647 -3.21534 158.647 -158.405 91.4602 -3.21738 91.4607 87.4728 GPRESSURE: 2181400 -208.618 208.64 89.4881 95.266 -129.932 153.947 48.068 16.2272 132.278 PRESSAVG: 2181400 -36.8664 20.9011 43.6007 20.9011 21.2712 -27.8393 43.6007 -27.8393 18.5675 GPRESSAVG: 2181400 -37.2915 18.7316 45.8228 20.9598 21.9974 -23.1263 44.4515 -31.6923 18.339 TIMING: 2181400 CPU: 6576.28, 0.00303134/step Wall: 6576.28, 0.00303134/step, 2.37337 hours remaining, 208.429688 MB of memory in use. ENERGY: 2181400 747.2762 2023.0934 1939.0842 117.3768 -205820.6070 17659.3832 0.0000 0.0000 34476.2271 -148858.1661 301.0895 -183334.3932 -148758.9821 300.1849 -100.3799 -68.7575 558079.2962 0.9908 1.0150 PRESSURE: 2181600 144.961 31.7077 146.459 31.7073 -266.313 75.248 146.46 75.2477 -2.00502 GPRESSURE: 2181600 172.244 95.9858 157.327 -13.5946 -229.654 53.0134 134.188 94.5783 13.301 PRESSAVG: 2181600 3.59445 -23.4373 8.66059 -23.4373 -9.17405 10.3798 8.6605 10.3799 88.803 GPRESSAVG: 2181600 5.0257 -24.226 9.31333 -23.0406 -10.0349 6.54526 6.72301 13.6778 87.6258 TIMING: 2181600 CPU: 6576.88, 0.00299564/step Wall: 6576.88, 0.00299564/step, 2.34525 hours remaining, 208.429688 MB of memory in use. ENERGY: 2181600 733.0210 2031.4898 1946.4932 106.0101 -205992.3333 17870.4753 0.0000 0.0000 34350.6640 -148954.1800 299.9929 -183304.8440 -148856.1834 299.7429 -41.1190 -14.7032 557853.5416 27.7411 27.5389 PRESSURE: 2181800 -106.625 240.774 148.002 240.773 -39.9122 57.5741 148.001 57.5736 -53.1426 GPRESSURE: 2181800 -30.0139 316.267 184.435 212.436 -26.6612 40.954 68.4161 27.6385 -44.6171 PRESSAVG: 2181800 19.4326 17.6774 90.6934 17.6774 -56.1844 10.0938 90.6935 10.0938 -7.63886 GPRESSAVG: 2181800 19.4938 19.4739 91.0277 19.3492 -55.7798 12.7464 89.412 7.21869 -7.73712 TIMING: 2181800 CPU: 6577.48, 0.00301367/step Wall: 6577.48, 0.00301367/step, 2.3592 hours remaining, 208.429688 MB of memory in use. ENERGY: 2181800 716.3111 2115.8711 1913.8409 103.8160 -205731.6634 17588.1137 0.0000 0.0000 34261.2936 -149032.4170 299.2124 -183293.7106 -148925.6874 299.2293 -66.5599 -33.7641 558190.9275 -14.7969 -14.6744 PRESSURE: 2182000 14.3612 -3.21517 -50.6094 -3.21555 -181.886 -9.21423 -50.6104 -9.21272 186.695 GPRESSURE: 2182000 46.5306 -0.999032 -38.243 -8.60714 -96.263 18.9112 -59.0575 22.5198 167.778 PRESSAVG: 2182000 79.021 21.9167 2.60637 21.9167 -24.0998 7.09089 2.60636 7.09088 -58.5819 GPRESSAVG: 2182000 77.6242 23.0878 -1.3844 20.668 -23.9046 5.00288 7.39329 10.4005 -57.3959 TIMING: 2182000 CPU: 6578.08, 0.00300238/step Wall: 6578.08, 0.00300238/step, 2.3502 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: 2182000 705.8009 2071.0672 1934.4300 116.8041 -205651.6570 17687.0363 0.0000 0.0000 34348.4167 -148788.1018 299.9733 -183136.5185 -148694.2589 299.5800 6.3901 39.3485 558563.8826 -1.2202 -1.2255 PRESSURE: 2182200 -240.664 -171.514 41.4187 -171.515 -191.546 -88.5433 41.4186 -88.544 -109.383 GPRESSURE: 2182200 -245.297 -165.455 21.6339 -129.219 -100.706 -26.4236 17.1221 -125.579 -96.4464 PRESSAVG: 2182200 82.6356 -14.7681 38.2642 -14.7682 -85.7602 -12.9174 38.2641 -12.9174 -17.8355 GPRESSAVG: 2182200 84.0055 -14.5606 40.2196 -14.8924 -86.1949 -12.6606 37.1765 -14.2198 -19.0445 TIMING: 2182200 CPU: 6578.69, 0.00302498/step Wall: 6578.69, 0.00302498/step, 2.36772 hours remaining, 208.691406 MB of memory in use. ENERGY: 2182200 696.5788 2070.5797 1945.5561 108.2964 -205277.1781 17328.1522 0.0000 0.0000 34199.7477 -148928.2672 298.6749 -183128.0149 -148818.3353 299.3925 -180.5311 -147.4832 558565.9925 -6.9867 -7.0780 PRESSURE: 2182400 -310.72 -45.6675 -26.0899 -45.6665 -53.9744 -66.8711 -26.0892 -66.8713 -99.6861 GPRESSURE: 2182400 -232.52 -41.0784 -15.7812 -46.5781 -22.2825 -19.5127 -107.534 -48.3853 -115.129 PRESSAVG: 2182400 2.08606 10.4176 -37.3875 10.4175 -38.049 6.69291 -37.3875 6.69283 -16.0106 GPRESSAVG: 2182400 3.04862 8.18853 -36.956 12.087 -39.1356 6.72107 -38.4862 5.51508 -15.9233 TIMING: 2182400 CPU: 6579.29, 0.00301666/step Wall: 6579.29, 0.00301666/step, 2.36104 hours remaining, 208.691406 MB of memory in use. ENERGY: 2182400 702.0303 2106.7541 1920.3277 116.6615 -205568.6243 17541.3644 0.0000 0.0000 34373.8505 -148807.6358 300.1954 -183181.4862 -148712.4151 299.6355 -154.7935 -123.3103 558730.7529 -17.3245 -17.3367 PRESSURE: 2182600 156.976 -114.736 -2.0518 -114.734 81.6193 -76.2548 -2.05205 -76.2556 -78.359 GPRESSURE: 2182600 174.989 -100.69 -68.9468 -155.09 93.7804 -67.9082 -65.4799 -70.6883 -19.8085 PRESSAVG: 2182600 -8.04179 5.19069 -2.88867 5.1908 10.0076 -0.485396 -2.88861 -0.485383 1.35479 GPRESSAVG: 2182600 -8.98137 4.66412 -2.89785 4.30383 10.7878 -1.17137 -2.31887 1.72083 1.84914 TIMING: 2182600 CPU: 6579.89, 0.00301222/step Wall: 6579.89, 0.00301222/step, 2.3574 hours remaining, 208.691406 MB of memory in use. ENERGY: 2182600 708.8159 2089.3978 1922.4411 105.8231 -205655.8436 17609.9724 0.0000 0.0000 34356.6425 -148862.7508 300.0451 -183219.3934 -148766.0826 300.4075 53.4122 82.9869 556404.4037 1.1069 1.2185 PRESSURE: 2182800 -16.826 -115.619 1.58199 -115.618 119.484 -8.27271 1.58037 -8.27151 15.0293 GPRESSURE: 2182800 50.7673 -87.9018 55.7267 -185.394 101.488 -20.6451 4.64873 -17.4119 72.4699 PRESSAVG: 2182800 -16.4732 0.628108 11.5488 0.628 -17.0617 68.4309 11.5489 68.4309 10.9234 GPRESSAVG: 2182800 -16.1208 2.39993 12.5127 1.66661 -16.5873 68.7633 9.43162 66.5895 10.6013 TIMING: 2182800 CPU: 6580.49, 0.00299391/step Wall: 6580.49, 0.00299391/step, 2.3429 hours remaining, 208.691406 MB of memory in use. ENERGY: 2182800 742.9599 2119.8191 1920.5988 106.4313 -205625.5136 17677.9466 0.0000 0.0000 34253.7449 -148804.0130 299.1465 -183057.7579 -148705.6033 300.3751 39.2291 74.9084 557533.5146 -7.5372 -7.3689 PRESSURE: 2183000 -167.059 -53.449 36.6674 -53.4482 176.366 -9.61749 36.6677 -9.61759 -137.601 GPRESSURE: 2183000 -64.5854 -0.0210896 52.2284 -91.9343 173.102 4.32927 28.6465 11.3184 -144.465 PRESSAVG: 2183000 2.38606 -28.8626 -21.7395 -28.8626 -1.35236 9.39371 -21.7394 9.39369 7.19875 GPRESSAVG: 2183000 1.79642 -31.4823 -20.8382 -29.0881 -1.35244 9.18027 -20.7558 8.81338 7.73851 TIMING: 2183000 CPU: 6581.09, 0.00297782/step Wall: 6581.09, 0.00297782/step, 2.33014 hours remaining, 208.691406 MB of memory in use. ENERGY: 2183000 741.3130 2167.6461 1955.0759 103.3922 -205884.5537 17820.5831 0.0000 0.0000 34075.2858 -149021.2574 297.5879 -183096.5432 -148916.2367 300.2757 -42.7649 -11.9828 557600.3149 2.7441 2.7275 PRESSURE: 2183200 113.007 -37.4927 68.9968 -37.4937 107.202 125.269 68.9971 125.27 5.4528 GPRESSURE: 2183200 211.596 -60.7139 75.7903 -31.0189 85.9514 120.065 -14.342 103.599 23.5901 PRESSAVG: 2183200 11.0072 -23.4914 -30.6919 -23.4914 -53.1007 -23.4438 -30.6919 -23.444 4.42514 GPRESSAVG: 2183200 11.8226 -23.1525 -32.1513 -21.3186 -53.8569 -21.7055 -30.2326 -24.1862 4.60106 TIMING: 2183200 CPU: 6581.69, 0.00300453/step Wall: 6581.69, 0.00300453/step, 2.35088 hours remaining, 208.691406 MB of memory in use. ENERGY: 2183200 736.0944 2109.4680 1946.3619 121.5709 -206356.1622 17982.8039 0.0000 0.0000 34423.9831 -149035.8800 300.6332 -183459.8631 -148937.1595 300.0628 75.2204 107.0459 556875.2571 -12.5561 -12.4777 PRESSURE: 2183400 65.7265 -26.9099 -9.18755 -26.9101 -4.55202 -21.9481 -9.18654 -21.9481 -23.3299 GPRESSURE: 2183400 100.915 -66.8022 58.8383 113.007 14.6072 17.6544 -126.031 -59.2019 23.3158 PRESSAVG: 2183400 -3.57359 0.022099 -46.5519 0.0220502 3.64518 -9.08514 -46.552 -9.08513 -7.97605 GPRESSAVG: 2183400 -3.74103 0.508198 -48.2075 -1.89892 4.24405 -9.67141 -46.7999 -8.23276 -8.32126 TIMING: 2183400 CPU: 6582.29, 0.00298989/step Wall: 6582.29, 0.00298989/step, 2.33926 hours remaining, 208.691406 MB of memory in use. ENERGY: 2183400 764.5457 2119.3323 1926.0922 117.9840 -205906.3179 17733.1738 0.0000 0.0000 34418.2666 -148826.9232 300.5833 -183245.1898 -148728.1005 300.5790 12.6148 46.2793 556608.0935 -2.6348 -2.6061 PRESSURE: 2183600 -171.079 26.2529 31.397 26.2518 113.771 88.3242 31.3986 88.3242 -154.495 GPRESSURE: 2183600 -105.407 22.5735 27.9357 79.0038 119.962 33.2085 41.7143 86.3847 -131.788 PRESSAVG: 2183600 58.8538 -29.0218 0.37375 -29.0218 13.7674 17.6487 0.373717 17.6486 -40.3037 GPRESSAVG: 2183600 58.6342 -26.286 1.16543 -29.7635 14.2975 15.8588 -1.03309 18.8749 -40.3571 TIMING: 2183600 CPU: 6582.88, 0.00297721/step Wall: 6582.88, 0.00297721/step, 2.32917 hours remaining, 208.691406 MB of memory in use. ENERGY: 2183600 730.3851 2151.7199 1888.5664 117.3433 -206174.0343 17829.0323 0.0000 0.0000 34397.2143 -149059.7730 300.3994 -183456.9872 -148965.0766 299.9628 -70.6011 -39.0775 558573.3327 10.7725 10.8582 PRESSURE: 2183800 180.79 -116.798 107.521 -116.797 -24.5027 22.595 107.521 22.5957 65.9267 GPRESSURE: 2183800 208.618 -80.6387 69.9909 -34.3067 -31.9511 48.1285 136.266 -10.4014 140.658 PRESSAVG: 2183800 4.5085 16.7255 10.1043 16.7255 9.37565 39.2573 10.1044 39.2574 30.8672 GPRESSAVG: 2183800 3.60949 17.5177 9.16071 18.0824 10.1874 42.2692 9.93264 38.5463 31.3546 TIMING: 2183800 CPU: 6583.48, 0.00299037/step Wall: 6583.48, 0.00299037/step, 2.3393 hours remaining, 208.691406 MB of memory in use. ENERGY: 2183800 783.1275 2112.2170 1914.8196 110.9989 -206374.0490 17964.1073 0.0000 0.0000 34360.1348 -149128.6440 300.0756 -183488.7787 -149029.2335 299.8630 74.0713 105.7750 557704.8135 14.9171 15.0505 PRESSURE: 2184000 -94.1912 18.0885 65.759 18.0885 61.7122 -95.5116 65.7594 -95.5116 -188.163 GPRESSURE: 2184000 -68.7905 11.4485 3.02942 13.3526 68.5825 -109.32 69.0483 -20.1214 -130.099 PRESSAVG: 2184000 -6.24647 -66.8352 32.4836 -66.8351 -15.7699 -6.08322 32.4835 -6.08328 28.3049 GPRESSAVG: 2184000 -7.01916 -68.5583 33.0763 -66.5165 -15.3388 -8.22374 34.4943 -5.83885 28.4894 TIMING: 2184000 CPU: 6584.07, 0.00297805/step Wall: 6584.07, 0.00297805/step, 2.3295 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: 2184000 772.0571 2129.4024 1906.0762 110.3618 -205540.4583 17430.8414 0.0000 0.0000 34160.6239 -149031.0954 298.3332 -183191.7193 -148934.2225 299.9359 -73.5472 -43.4357 557657.1851 2.0962 2.0438 PRESSURE: 2184200 -256.668 -95.6629 99.3799 -95.6628 -143.872 76.4645 99.3805 76.4655 -216.909 GPRESSURE: 2184200 -240.84 -79.0352 85.7252 -23.8748 -68.7163 45.7177 109.47 74.4098 -216.291 PRESSAVG: 2184200 -25.1963 -8.37997 42.6199 -8.37994 59.5625 29.0813 42.6198 29.0813 -16.806 GPRESSAVG: 2184200 -25.0424 -9.21036 41.784 -8.52066 59.3366 29.4782 39.1886 28.4415 -17.1247 TIMING: 2184200 CPU: 6584.67, 0.00298522/step Wall: 6584.67, 0.00298522/step, 2.33494 hours remaining, 208.757812 MB of memory in use. ENERGY: 2184200 768.5955 2158.2614 1908.6156 113.2076 -205816.2028 17467.6286 0.0000 0.0000 34110.7066 -149289.1874 297.8973 -183399.8940 -149192.3377 299.4852 -205.8165 -175.2823 557535.4424 5.8534 5.7231 LDB: ============= START OF LOAD BALANCING ============== 6588.19 LDB: ============== END OF LOAD BALANCING =============== 6588.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6588.19 LDB: ============= START OF LOAD BALANCING ============== 6588.49 LDB: Largest compute 4800 load 0.028140 is 23.8% of average load 0.118048 LDB: Average compute 0.001728 is 1.5% of average load 0.118048 LDB: TIME 6588.49 LOAD: AVG 0.118048 MAX 0.202568 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.941 MB LDB: TIME 6588.49 LOAD: AVG 0.118048 MAX 0.202568 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.941 MB LDB: TIME 6588.49 LOAD: AVG 0.118048 MAX 0.202568 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.941 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6588.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6588.5 PRESSURE: 2184400 26.4376 -35.5983 28.9637 -35.5979 -195.639 -175.606 28.964 -175.606 -33.7022 GPRESSURE: 2184400 61.4793 111.828 60.2759 -26.8255 -148.475 -198.749 -29.0671 -136.393 -30.9237 PRESSAVG: 2184400 46.8443 49.8116 -10.2619 49.8116 -33.4441 -12.8215 -10.2619 -12.8215 1.21431 GPRESSAVG: 2184400 47.9457 49.9368 -9.55895 50.1154 -33.9749 -10.5124 -7.80899 -13.5757 0.495733 TIMING: 2184400 CPU: 6585.28, 0.00306296/step Wall: 6585.28, 0.00306296/step, 2.39557 hours remaining, 207.917969 MB of memory in use. ENERGY: 2184400 783.2585 2148.6890 1899.1643 123.4960 -206309.0695 17828.3458 0.0000 0.0000 34310.5822 -149215.5336 299.6428 -183526.1158 -149123.4662 299.6585 -67.6344 -39.3063 557002.6657 4.8715 4.8222 PRESSURE: 2184600 9.81483 -76.1667 26.6905 -76.1666 43.1811 9.27363 26.6892 9.27337 -154.009 GPRESSURE: 2184600 43.3707 18.0264 -39.1089 -141.014 92.4949 72.7262 3.46308 -44.8944 -140.644 PRESSAVG: 2184600 -24.7252 9.60578 0.175839 9.60572 -10.1513 -9.94814 0.175858 -9.9482 14.2466 GPRESSAVG: 2184600 -25.41 9.06451 0.945196 8.135 -10.018 -11.1149 0.203253 -8.82278 15.1353 TIMING: 2184600 CPU: 6585.88, 0.00299173/step Wall: 6585.88, 0.00299173/step, 2.3397 hours remaining, 207.917969 MB of memory in use. ENERGY: 2184600 754.4385 2139.8575 1921.2647 114.5720 -205981.4506 17635.0135 0.0000 0.0000 34272.6473 -149143.6570 299.3116 -183416.3043 -149035.6895 299.6690 -33.6710 -1.5926 556345.6985 -6.8766 -6.7642 PRESSURE: 2184800 115.062 -104.436 -53.6985 -104.435 -72.4316 -78.3739 -53.6989 -78.3727 166.362 GPRESSURE: 2184800 186.441 -52.4228 -17.8046 -97.7099 -22.6817 -33.4057 -79.7767 -57.7976 142.892 PRESSAVG: 2184800 120.981 22.7266 -33.8329 22.7267 -37.5732 75.2007 -33.8329 75.2009 -26.6214 GPRESSAVG: 2184800 121.595 23.1107 -34.4216 22.8874 -37.2771 74.6976 -34.2991 75.0387 -27.5667 TIMING: 2184800 CPU: 6586.49, 0.00301475/step Wall: 6586.49, 0.00301475/step, 2.35753 hours remaining, 207.917969 MB of memory in use. ENERGY: 2184800 735.4077 2180.0864 1908.1584 112.1431 -206377.0155 18052.0142 0.0000 0.0000 34263.9313 -149125.2745 299.2354 -183389.2059 -149029.0400 299.8942 69.6641 102.2170 558115.8226 18.9289 18.9172 PRESSURE: 2185000 153.142 71.5306 89.1035 71.5313 160.39 221.016 89.1044 221.015 101.398 GPRESSURE: 2185000 193.514 47.4735 179.766 6.03647 211.61 129.295 144.375 298.567 107.124 PRESSAVG: 2185000 89.5526 -7.66787 35.4069 -7.66793 -0.437493 51.7839 35.407 51.7838 -48.6178 GPRESSAVG: 2185000 88.724 -7.97877 35.3202 -7.53731 -0.315509 52.462 36.0751 52.2613 -48.3064 TIMING: 2185000 CPU: 6587.09, 0.00301289/step Wall: 6587.09, 0.00301289/step, 2.35591 hours remaining, 207.917969 MB of memory in use. ENERGY: 2185000 766.8541 2185.0013 1906.3636 113.7749 -206344.1576 18134.8981 0.0000 0.0000 34264.7956 -148972.4700 299.2430 -183237.2655 -148876.7810 300.0228 138.3102 170.7491 558884.1107 13.4991 13.3674 PRESSURE: 2185200 380.164 188.994 160.527 188.995 388.809 12.3652 160.527 12.3655 55.1371 GPRESSURE: 2185200 360.798 127.591 229.149 204.769 455.759 2.05805 143.457 -48.5411 95.4757 PRESSAVG: 2185200 22.83 -1.66878 45.1114 -1.66891 84.7585 20.6819 45.1115 20.6819 -113.26 GPRESSAVG: 2185200 23.2649 -2.8012 45.2326 0.102107 84.0213 21.0922 43.0036 19.4915 -112.568 TIMING: 2185200 CPU: 6587.69, 0.00299979/step Wall: 6587.69, 0.00299979/step, 2.3455 hours remaining, 207.917969 MB of memory in use. ENERGY: 2185200 755.0133 2138.2402 1944.7490 117.6962 -206922.3906 18450.7319 0.0000 0.0000 34446.6635 -149069.2965 300.8313 -183515.9600 -148967.6597 300.2777 274.7034 304.0110 557362.2565 -1.8904 -1.7606 PRESSURE: 2185400 -28.93 144.776 -78.9983 144.778 74.7758 52.1352 -78.9999 52.1355 135.271 GPRESSURE: 2185400 -21.9509 189.087 -113.276 72.2688 106.565 86.4549 -55.4345 -12.2442 202.504 PRESSAVG: 2185400 52.9476 12.174 42.5879 12.1741 -17.5579 -29.8632 42.5879 -29.8632 -24.8111 GPRESSAVG: 2185400 53.3287 14.739 42.9591 11.4513 -17.458 -29.8037 44.7162 -30.1379 -25.8581 TIMING: 2185400 CPU: 6588.29, 0.00301744/step Wall: 6588.29, 0.00301744/step, 2.35913 hours remaining, 207.917969 MB of memory in use. ENERGY: 2185400 732.7142 2110.1141 1930.3307 120.2402 -206441.2172 18021.0756 0.0000 0.0000 34369.7317 -149157.0108 300.1594 -183526.7424 -149061.4265 300.2362 60.3722 95.7062 557375.5483 3.5262 3.3375 PRESSURE: 2185600 108.724 -210.896 -63.6877 -210.897 114.614 -35.1316 -63.6877 -35.1342 25.4443 GPRESSURE: 2185600 98.5554 -265.185 -69.4498 -248.082 201.473 -71.8899 4.85241 -58.4242 54.2711 PRESSAVG: 2185600 1.15839 -12.8168 -21.3601 -12.8168 -41.2362 -25.3875 -21.3601 -25.3875 55.1644 GPRESSAVG: 2185600 0.105574 -14.1603 -23.2789 -12.2325 -40.2396 -25.4956 -24.0169 -24.6842 55.4602 TIMING: 2185600 CPU: 6588.9, 0.00301877/step Wall: 6588.9, 0.00301877/step, 2.36 hours remaining, 207.917969 MB of memory in use. ENERGY: 2185600 765.2678 2133.8859 1916.1081 100.0139 -206455.7365 18002.8509 0.0000 0.0000 34272.0450 -149265.5649 299.3063 -183537.6099 -149167.1758 299.5387 82.9273 118.0997 558416.9076 5.0289 5.1087 PRESSURE: 2185800 -134.162 57.4853 -147.202 57.4844 202.601 -196.412 -147.203 -196.412 212.564 GPRESSURE: 2185800 -100.609 48.4804 -253.031 23.5477 299.87 -170.601 -52.2859 -303.493 181.522 PRESSAVG: 2185800 -40.3347 -10.9557 -51.8612 -10.9558 57.9502 -13.5984 -51.8612 -13.5984 -9.49495 GPRESSAVG: 2185800 -38.7002 -11.0507 -50.4396 -13.8938 55.6499 -14.9472 -49.9055 -12.0632 -9.50144 TIMING: 2185800 CPU: 6589.5, 0.00302821/step Wall: 6589.5, 0.00302821/step, 2.36722 hours remaining, 207.917969 MB of memory in use. ENERGY: 2185800 731.4052 2055.5515 1953.6750 122.1532 -206640.3919 18127.9741 0.0000 0.0000 34272.1106 -149377.5223 299.3069 -183649.6329 -149285.4269 299.2660 93.6677 126.9273 558367.9740 2.7068 2.4828 PRESSURE: 2186000 -180.761 213.198 135.189 213.198 -330.312 147.126 135.189 147.126 -124.01 GPRESSURE: 2186000 -148.184 216.829 162.46 314.893 -279.877 98.3035 52.4104 140.507 -104.513 PRESSAVG: 2186000 23.6486 26.8645 41.6032 26.8644 -1.67501 -26.7418 41.6033 -26.7418 -22.2532 GPRESSAVG: 2186000 23.1645 28.6014 41.1057 28.356 -1.54121 -23.6214 42.9744 -27.2416 -21.6817 TIMING: 2186000 CPU: 6590.1, 0.00301487/step Wall: 6590.1, 0.00301487/step, 2.35662 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: 2186000 730.4724 2070.9418 1952.1230 114.4336 -206139.6638 17600.4791 0.0000 0.0000 34440.8415 -149230.3725 300.7804 -183671.2140 -149122.2446 299.4630 -211.6946 -177.5249 559122.3551 -0.0932 -0.0195 PRESSURE: 2186200 -116.028 -81.1428 -76.8491 -81.1421 69.8061 -15.759 -76.85 -15.7579 -4.24534 GPRESSURE: 2186200 -33.1466 -21.1902 -143.759 -199.114 97.8625 -39.4839 -32.0465 -10.8529 -31.5625 PRESSAVG: 2186200 59.2083 8.12924 -28.8149 8.12914 -4.2189 3.36508 -28.8149 3.36493 -57.1725 GPRESSAVG: 2186200 58.5539 7.01956 -28.3524 7.34573 -3.38438 0.303909 -29.3691 3.47203 -57.5678 TIMING: 2186200 CPU: 6590.71, 0.00303892/step Wall: 6590.71, 0.00303892/step, 2.37525 hours remaining, 208.121094 MB of memory in use. ENERGY: 2186200 707.8035 2134.4331 1932.7738 98.0791 -205906.7820 17801.3389 0.0000 0.0000 34144.1223 -149088.2313 298.1891 -183232.3536 -148992.6333 299.2300 -16.8226 11.0511 559420.5919 -0.7277 -0.7995 PRESSURE: 2186400 -88.8713 67.702 -39.1877 67.7024 -195.748 49.6826 -39.1852 49.6828 -272.857 GPRESSURE: 2186400 -58.5881 62.6636 18.2086 27.7473 -153.121 10.1901 -76.8122 49.3198 -256.412 PRESSAVG: 2186400 3.34893 0.0656147 -6.7883 0.0657498 -3.2868 20.1998 -6.78825 20.1998 -28.0208 GPRESSAVG: 2186400 3.64719 0.242309 -8.14755 0.936058 -3.7 20.7167 -7.72446 19.3702 -27.7737 TIMING: 2186400 CPU: 6591.32, 0.00302484/step Wall: 6591.32, 0.00302484/step, 2.36408 hours remaining, 208.121094 MB of memory in use. ENERGY: 2186400 784.8272 2170.7466 1935.8147 114.0208 -205732.8232 17559.1422 0.0000 0.0000 34265.4604 -148902.8113 299.2488 -183168.2717 -148809.2540 299.9482 -185.8255 -156.0404 559198.9205 -9.3196 -9.2755 PRESSURE: 2186600 -82.8609 107.48 136.199 107.478 75.277 -50.9271 136.198 -50.9259 -39.6301 GPRESSURE: 2186600 -111.239 81.5368 100.757 145.557 131.828 -54.7226 129.285 -74.1272 38.9347 PRESSAVG: 2186600 -16.3548 -67.3347 10.4409 -67.3348 22.0731 -26.3748 10.441 -26.3748 -8.25847 GPRESSAVG: 2186600 -17.3806 -66.1605 11.4804 -68.3098 21.2809 -24.5714 11.3721 -25.4214 -7.85138 TIMING: 2186600 CPU: 6591.92, 0.00300357/step Wall: 6591.92, 0.00300357/step, 2.34729 hours remaining, 208.121094 MB of memory in use. ENERGY: 2186600 728.1561 2174.9674 1929.4169 116.7631 -206443.6609 17782.5689 0.0000 0.0000 34604.3002 -149107.4884 302.2080 -183711.7885 -149011.8852 300.4982 -15.7380 19.8411 558344.4822 -0.8467 -1.3170 PRESSURE: 2186800 114.601 134.212 -73.8153 134.21 -25.0436 9.51644 -73.8141 9.51497 69.1979 GPRESSURE: 2186800 182.742 124.418 -141.81 167.177 -29.1673 -33.7342 -54.7061 52.6724 106.061 PRESSAVG: 2186800 13.0154 1.63747 39.1975 1.63749 -22.5312 -23.5133 39.1975 -23.5133 32.0095 GPRESSAVG: 2186800 12.8664 0.506862 39.3319 1.98706 -23.3986 -25.227 39.6717 -23.9295 33.4829 TIMING: 2186800 CPU: 6592.52, 0.00301513/step Wall: 6592.52, 0.00301513/step, 2.35616 hours remaining, 208.121094 MB of memory in use. ENERGY: 2186800 759.1866 2093.5666 1912.4047 137.6767 -205734.4309 17744.6152 0.0000 0.0000 34180.9638 -148906.0174 298.5109 -183086.9811 -148808.6256 299.4662 52.9184 86.5452 559450.0899 7.4979 7.6502 PRESSURE: 2187000 23.4209 -140.701 -8.36203 -140.7 13.201 -6.82817 -8.36112 -6.82865 -94.3726 GPRESSURE: 2187000 63.7278 -117.605 -22.4782 -184.325 0.730972 60.6881 4.03747 -28.5514 -25.7532 PRESSAVG: 2187000 33.5801 10.6646 1.29226 10.6646 26.6131 -21.0984 1.29232 -21.0984 -43.2093 GPRESSAVG: 2187000 34.2583 10.1353 2.33462 10.2829 27.1321 -18.7419 0.237737 -22.8953 -44.1645 TIMING: 2187000 CPU: 6593.12, 0.00302227/step Wall: 6593.12, 0.00302227/step, 2.36157 hours remaining, 208.121094 MB of memory in use. ENERGY: 2187000 754.5413 2071.6041 1924.3353 118.6529 -205960.2403 17920.3324 0.0000 0.0000 34316.7119 -148854.0626 299.6964 -183170.7745 -148755.3164 299.6496 -19.2502 12.9019 559656.2525 5.6613 5.7420 PRESSURE: 2187200 82.4012 -15.6081 129.76 -15.6077 -83.357 -77.025 129.76 -77.0241 -46.1552 GPRESSURE: 2187200 86.026 -26.0706 170.921 87.0322 -53.2286 -90.9127 46.4643 -104.894 -4.04549 PRESSAVG: 2187200 -21.4672 -16.7935 3.26715 -16.7935 26.2605 13.4348 3.26706 13.4347 -16.6193 GPRESSAVG: 2187200 -21.6659 -14.8061 1.22697 -16.8294 26.931 12.7925 3.36323 15.836 -17.1308 TIMING: 2187200 CPU: 6593.73, 0.003013/step Wall: 6593.73, 0.003013/step, 2.35416 hours remaining, 208.121094 MB of memory in use. ENERGY: 2187200 759.0002 2108.6773 1912.0912 116.9576 -205886.8841 17654.4178 0.0000 0.0000 34272.9251 -149062.8150 299.3140 -183335.7401 -148973.7825 300.0314 -15.7037 9.5840 557098.4213 -3.9420 -3.9552 PRESSURE: 2187400 -50.1265 -9.20896 65.8727 -9.20946 -180.616 46.9477 65.8719 46.9477 -18.0084 GPRESSURE: 2187400 -17.7123 32.1094 19.5629 99.3306 -161.727 55.6319 54.6567 -21.9706 31.3418 PRESSAVG: 2187400 -13.8671 -30.4366 -16.7982 -30.4366 -4.8393 49.1959 -16.7983 49.1959 -18.7484 GPRESSAVG: 2187400 -13.469 -31.176 -14.1317 -26.9449 -4.76578 49.5762 -18.9913 46.6626 -18.2349 TIMING: 2187400 CPU: 6594.33, 0.00300635/step Wall: 6594.33, 0.00300635/step, 2.34879 hours remaining, 208.121094 MB of memory in use. ENERGY: 2187400 768.0351 2065.9077 1894.7336 107.5593 -206017.4426 17647.4571 0.0000 0.0000 34242.6486 -149291.1012 299.0496 -183533.7498 -149188.7767 299.4710 -82.9168 -49.3657 557294.0343 -12.4849 -12.1566 PRESSURE: 2187600 112.958 41.721 107.743 41.7202 -265.133 -45.2623 107.743 -45.2618 69.8886 GPRESSURE: 2187600 79.2811 39.9622 128.516 104.839 -201.139 87.6938 75.1817 -142.423 135.287 PRESSAVG: 2187600 -56.6139 11.8289 -7.1912 11.8289 4.42586 76.6252 -7.19118 76.6253 32.1022 GPRESSAVG: 2187600 -56.3103 10.7389 -9.75292 9.39697 4.35397 76.2945 -4.58757 79.117 31.6381 TIMING: 2187600 CPU: 6594.93, 0.00301381/step Wall: 6594.93, 0.00301381/step, 2.35446 hours remaining, 208.121094 MB of memory in use. ENERGY: 2187600 757.2746 2112.6320 1924.8113 110.5598 -206118.6924 17793.0045 0.0000 0.0000 34285.3146 -149135.0955 299.4222 -183420.4101 -149033.8851 299.4482 -27.4288 4.4764 557900.6738 -6.6953 -6.7728 PRESSURE: 2187800 160.224 47.3514 39.3789 47.3511 40.8056 23.2042 39.3784 23.2055 -152.508 GPRESSURE: 2187800 146.851 86.3175 -6.26545 52.864 84.0078 48.9377 23.8761 -59.3778 -94.5415 PRESSAVG: 2187800 8.60633 -20.0608 15.2767 -20.0609 20.3746 21.0275 15.2769 21.0276 -6.05837 GPRESSAVG: 2187800 9.03978 -17.7362 15.5303 -23.148 20.3064 18.4551 15.3406 20.4957 -6.46088 TIMING: 2187800 CPU: 6595.53, 0.00300184/step Wall: 6595.53, 0.00300184/step, 2.34493 hours remaining, 208.121094 MB of memory in use. ENERGY: 2187800 751.8098 2059.6909 1926.6997 115.0847 -206341.9957 17917.3405 0.0000 0.0000 34387.7710 -149183.5991 300.3170 -183571.3701 -149083.7227 299.6485 16.1739 45.4391 558666.4957 7.6409 7.6284 PRESSURE: 2188000 -211.693 -23.318 -64.037 -23.3191 0.124165 99.7309 -64.0382 99.7326 -141.716 GPRESSURE: 2188000 -143.654 46.8705 -112.255 -82.3796 68.8262 99.5373 -19.2223 60.7071 -175.212 PRESSAVG: 2188000 -15.2705 -49.9202 30.4492 -49.9203 31.8064 66.7187 30.4492 66.7188 -23.7702 GPRESSAVG: 2188000 -16.5425 -51.1007 31.4141 -48.2583 31.7487 67.3975 30.4621 66.277 -22.2591 TIMING: 2188000 CPU: 6596.13, 0.00300212/step Wall: 6596.13, 0.00300212/step, 2.34499 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: 2188000 813.1448 2121.1369 1917.9467 110.4522 -206324.4876 17892.3256 0.0000 0.0000 34174.0872 -149295.3942 298.4508 -183469.4814 -149194.2096 298.8339 -117.7614 -83.3464 558542.0847 -2.4114 -2.3510 PRESSURE: 2188200 -363.275 -3.61318 27.7332 -3.61263 -232.675 57.4398 27.7327 57.4411 -28.1556 GPRESSURE: 2188200 -325.179 -51.017 49.7037 14.916 -187.551 58.2202 -57.0445 -41.0759 -11.4605 PRESSAVG: 2188200 18.5496 -71.0564 57.8254 -71.0564 24.5275 47.21 57.8253 47.21 -15.2783 GPRESSAVG: 2188200 18.2176 -71.6838 56.3724 -71.1864 24.7117 46.353 58.0957 48.172 -15.0254 TIMING: 2188200 CPU: 6596.73, 0.00298994/step Wall: 6596.73, 0.00298994/step, 2.33531 hours remaining, 208.121094 MB of memory in use. ENERGY: 2188200 727.2589 2119.4633 1918.5981 109.7801 -206079.6725 17600.0488 0.0000 0.0000 34170.1954 -149434.3279 298.4168 -183604.5233 -149338.4113 298.4243 -208.0353 -174.7303 558595.6201 9.2663 9.3013 LDB: ============= START OF LOAD BALANCING ============== 6600.25 LDB: ============== END OF LOAD BALANCING =============== 6600.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6600.25 LDB: ============= START OF LOAD BALANCING ============== 6600.55 LDB: Largest compute 4801 load 0.030319 is 25.7% of average load 0.118028 LDB: Average compute 0.001731 is 1.5% of average load 0.118028 LDB: TIME 6600.55 LOAD: AVG 0.118028 MAX 0.205038 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 6600.55 LOAD: AVG 0.118028 MAX 0.205038 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: TIME 6600.55 LOAD: AVG 0.118028 MAX 0.205038 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6600.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6600.56 PRESSURE: 2188400 -306.442 -9.58508 17.8046 -9.58615 -327.477 -43.2672 17.8049 -43.2661 -7.4472 GPRESSURE: 2188400 -247.464 7.2594 -9.13237 84.3401 -296.985 -29.9707 67.0027 -15.7584 -11.7718 PRESSAVG: 2188400 -29.1833 -43.3855 24.9185 -43.3855 -28.6614 -41.9732 24.9184 -41.9732 1.7532 GPRESSAVG: 2188400 -29.7272 -43.9719 25.4682 -43.3902 -28.5379 -40.6369 23.0178 -43.7294 2.18209 TIMING: 2188400 CPU: 6597.34, 0.00305984/step Wall: 6597.34, 0.00305984/step, 2.38973 hours remaining, 209.453125 MB of memory in use. ENERGY: 2188400 753.4328 2084.5537 1929.5388 113.3259 -206132.6809 17577.6304 0.0000 0.0000 34248.1110 -149426.0883 299.0973 -183674.1993 -149324.2743 298.5550 -213.7887 -185.4067 558604.3009 -18.6972 -18.6943 PRESSURE: 2188600 21.0781 -1.58343 330.142 -1.58507 -106.179 76.7452 330.142 76.7457 335.044 GPRESSURE: 2188600 69.9069 -34.4085 379.869 2.75084 -63.3054 123.593 285.267 74.4945 331.382 PRESSAVG: 2188600 -77.8767 -50.1855 -10.8221 -50.1857 -12.0821 37.3439 -10.8221 37.3439 103.809 GPRESSAVG: 2188600 -75.8299 -47.6681 -11.9799 -52.0852 -13.0917 37.0651 -9.49177 37.6928 103.137 TIMING: 2188600 CPU: 6597.94, 0.00298749/step Wall: 6597.94, 0.00298749/step, 2.33307 hours remaining, 209.656250 MB of memory in use. ENERGY: 2188600 709.0384 2076.4896 1934.4206 113.4274 -206331.8541 17781.2502 0.0000 0.0000 34150.3636 -149566.8642 298.2436 -183717.2278 -149474.0902 299.3792 83.3145 112.6612 555645.7453 4.6166 4.7384 PRESSURE: 2188800 20.2412 -109.401 66.668 -109.401 220.469 19.5634 66.666 19.564 157.123 GPRESSURE: 2188800 -16.5812 -195.165 58.3894 -66.8829 273.387 -15.4383 121.288 -1.9976 240.111 PRESSAVG: 2188800 -74.1415 -6.43615 -14.0172 -6.43609 -0.534963 39.1092 -14.0174 39.1092 43.3652 GPRESSAVG: 2188800 -75.0428 -7.9933 -12.2167 -6.56979 -1.22094 38.9049 -14.7229 39.0405 44.6467 TIMING: 2188800 CPU: 6598.54, 0.00298214/step Wall: 6598.54, 0.00298214/step, 2.32872 hours remaining, 209.656250 MB of memory in use. ENERGY: 2188800 720.0041 2090.5639 1965.6888 106.6033 -206687.4495 18232.1960 0.0000 0.0000 34048.0887 -149524.3047 297.3504 -183572.3934 -149431.1719 298.6936 132.6110 165.6391 556623.8375 -10.4371 -10.5390 PRESSURE: 2189000 -148.364 -157.045 64.9958 -157.045 -231.911 20.5531 64.9947 20.5544 -250.016 GPRESSURE: 2189000 -150.466 -151.48 79.4638 -151.069 -198.046 63.9385 -32.348 -38.0172 -183.042 PRESSAVG: 2189000 47.8988 -48.2783 -12.9976 -48.2783 32.1861 -15.9095 -12.9976 -15.9096 -53.7887 GPRESSAVG: 2189000 47.2429 -48.6384 -13.8832 -45.8523 32.27 -14.789 -13.3533 -16.5194 -53.9277 TIMING: 2189000 CPU: 6599.14, 0.00301758/step Wall: 6599.14, 0.00301758/step, 2.35623 hours remaining, 209.656250 MB of memory in use. ENERGY: 2189000 717.9275 2153.3719 1954.6333 124.4570 -206248.1297 17600.9967 0.0000 0.0000 34189.2505 -149507.4928 298.5832 -183696.7433 -149407.0982 298.5123 -210.0969 -177.1845 557670.5309 8.7654 8.5284 PRESSURE: 2189200 -109.267 -6.31153 25.7524 -6.3113 -100.709 67.6727 25.7524 67.6739 157.425 GPRESSURE: 2189200 -12.4444 -54.878 24.9363 -18.816 -93.9217 34.258 -8.46628 68.5326 150.719 PRESSAVG: 2189200 51.2816 -32.8274 -55.1727 -32.8275 5.59402 -61.1834 -55.1726 -61.1835 -19.3476 GPRESSAVG: 2189200 51.5065 -32.298 -53.707 -33.7223 6.38304 -64.0358 -54.794 -60.0407 -19.954 TIMING: 2189200 CPU: 6599.74, 0.00301129/step Wall: 6599.74, 0.00301129/step, 2.35115 hours remaining, 209.656250 MB of memory in use. ENERGY: 2189200 735.6798 2083.3294 1932.7643 115.6575 -206320.4726 17898.8410 0.0000 0.0000 34226.8785 -149327.3221 298.9118 -183554.2006 -149232.3036 298.2440 -17.5171 14.7844 556934.2330 12.5094 12.6452 PRESSURE: 2189400 -36.9716 129.956 15.3805 129.957 -152.418 135.145 15.3791 135.145 -169.7 GPRESSURE: 2189400 -23.6273 144.352 22.7503 101.917 -104.277 72.4543 24.1064 101.348 -120.081 PRESSAVG: 2189400 5.99011 39.748 -47.1335 39.748 -16.3921 -69.5227 -47.1334 -69.5226 17.631 GPRESSAVG: 2189400 6.42873 39.197 -49.516 39.2469 -15.5874 -65.8479 -45.454 -71.47 16.823 TIMING: 2189400 CPU: 6600.34, 0.00298839/step Wall: 6600.34, 0.00298839/step, 2.3331 hours remaining, 209.656250 MB of memory in use. ENERGY: 2189400 746.4803 2105.9545 1928.9396 105.2338 -206044.8316 17606.0714 0.0000 0.0000 34317.0439 -149235.1081 299.6993 -183552.1520 -149141.9017 299.0323 -119.6965 -82.6617 557564.6041 2.4097 2.5548 PRESSURE: 2189600 99.3468 -31.4938 21.7048 -31.4942 69.9026 -23.1553 21.7039 -23.1557 -172.831 GPRESSURE: 2189600 113.535 -49.9263 9.30813 -30.1619 109.649 -24.2884 94.9802 -111.81 -137.859 PRESSAVG: 2189600 43.7032 9.63096 14.9844 9.63094 11.5803 -9.42418 14.9845 -9.42407 -38.6621 GPRESSAVG: 2189600 43.393 10.3318 16.2616 8.96279 10.1656 -11.0044 13.1077 -7.82092 -36.9818 TIMING: 2189600 CPU: 6600.94, 0.00299698/step Wall: 6600.94, 0.00299698/step, 2.33964 hours remaining, 209.656250 MB of memory in use. ENERGY: 2189600 728.1724 2107.5790 1941.7741 118.4710 -206012.6922 17690.4055 0.0000 0.0000 34178.7848 -149247.5053 298.4918 -183426.2901 -149147.8735 299.5736 -1.1937 28.4420 556382.5013 5.5405 5.5256 PRESSURE: 2189800 -19.0749 -31.8352 -17.107 -31.8343 -18.2509 -35.0871 -17.1082 -35.0884 203.437 GPRESSURE: 2189800 30.7061 24.39 27.6265 -20.111 -25.0934 -18.5901 -42.3101 -14.9762 250.029 PRESSAVG: 2189800 -21.9797 17.9792 -61.4073 17.9792 -12.6859 -1.82109 -61.4072 -1.82104 24.2293 GPRESSAVG: 2189800 -21.4807 18.431 -59.8731 18.8505 -12.39 -1.54669 -60.8943 -3.04553 23.3266 TIMING: 2189800 CPU: 6601.54, 0.00300467/step Wall: 6601.54, 0.00300467/step, 2.34548 hours remaining, 209.656250 MB of memory in use. ENERGY: 2189800 718.2710 2122.2191 1953.8904 119.7346 -206358.8594 17756.6810 0.0000 0.0000 34445.5170 -149242.5464 300.8213 -183688.0634 -149147.2377 299.3228 55.3704 85.2138 556252.9518 -3.4787 -3.5147 PRESSURE: 2190000 1.61526 -159.733 -83.8383 -159.733 33.6323 281.773 -83.8374 281.774 259.061 GPRESSURE: 2190000 52.5796 -168.253 -50.6492 -156.279 145.393 262.966 -101.634 263.427 206.036 PRESSAVG: 2190000 7.54775 10.2858 14.6053 10.2859 -7.00107 33.4767 14.6052 33.4767 30.5393 GPRESSAVG: 2190000 7.80862 9.98974 14.6361 9.05703 -6.89179 33.4879 15.0706 33.6822 30.5196 TIMING: 2190000 CPU: 6602.14, 0.00298677/step Wall: 6602.14, 0.00298677/step, 2.33134 hours remaining, 209.656250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2190000 775.3125 2043.7682 1943.3749 108.3280 -206433.4177 18026.7959 0.0000 0.0000 34454.5583 -149081.2800 300.9002 -183535.8383 -148980.0501 299.8201 98.1029 134.6694 556352.8840 10.3620 10.4788 PRESSURE: 2190200 -73.0991 123.589 -80.9569 123.59 -86.6441 218.095 -80.9571 218.096 -183.814 GPRESSURE: 2190200 -48.7521 102.47 -78.5302 155.683 -56.2749 164.568 -66.8506 190.626 -144.396 PRESSAVG: 2190200 -26.8839 11.7946 -31.018 11.7945 12.0848 6.57934 -31.018 6.57932 -3.59781 GPRESSAVG: 2190200 -27.1525 11.6487 -31.027 12.7321 12.0506 5.98983 -33.3726 6.86159 -3.01725 TIMING: 2190200 CPU: 6602.73, 0.00298307/step Wall: 6602.73, 0.00298307/step, 2.32829 hours remaining, 209.656250 MB of memory in use. ENERGY: 2190200 754.7073 2088.5761 1921.4772 119.5869 -206020.1612 17762.3846 0.0000 0.0000 34096.3757 -149277.0535 297.7721 -183373.4291 -149183.8260 299.5711 -114.5191 -83.1410 557259.7846 -6.1323 -6.0397 PRESSURE: 2190400 -343.125 2.88491 9.65239 2.88474 -24.3891 -67.3382 9.65334 -67.3386 -223.955 GPRESSURE: 2190400 -293.742 -2.63259 -26.089 -19.0154 -28.3192 -69.2031 -7.78787 -91.145 -168.403 PRESSAVG: 2190400 -18.3037 21.8075 5.01218 21.8075 -40.2472 46.0448 5.0122 46.0448 8.53814 GPRESSAVG: 2190400 -19.0306 20.7401 4.03093 22.3919 -39.6015 46.0348 5.43997 46.0308 8.34014 TIMING: 2190400 CPU: 6603.34, 0.00301829/step Wall: 6603.34, 0.00301829/step, 2.35561 hours remaining, 209.656250 MB of memory in use. ENERGY: 2190400 732.5012 2088.7821 1950.8210 119.2274 -205755.3412 17488.3703 0.0000 0.0000 34078.5357 -149297.1035 297.6163 -183375.6392 -149194.5262 298.4129 -197.1566 -163.4882 558748.0334 -16.6709 -16.7640 PRESSURE: 2190600 -168.201 64.7522 -91.1099 64.7529 -171.824 -35.1089 -91.1106 -35.1101 -5.50935 GPRESSURE: 2190600 -138.079 27.4205 -162.33 109.138 -136.568 -64.0867 67.6908 76.344 11.7269 PRESSAVG: 2190600 -27.171 -10.8706 14.7784 -10.8707 -23.8733 14.5127 14.7784 14.5127 27.83 GPRESSAVG: 2190600 -25.5914 -10.0628 13.6587 -9.86829 -24.6565 13.8374 17.8235 15.1038 27.4071 TIMING: 2190600 CPU: 6603.94, 0.00301158/step Wall: 6603.94, 0.00301158/step, 2.35021 hours remaining, 209.656250 MB of memory in use. ENERGY: 2190600 749.5632 2158.5046 1930.3352 114.8119 -205880.4665 17581.2437 0.0000 0.0000 34106.3119 -149239.6960 297.8589 -183346.0079 -149143.2448 298.9554 -115.1779 -87.6400 556686.2312 -7.7381 -7.6136 PRESSURE: 2190800 7.76065 -35.1576 -43.1251 -35.1567 255.607 -125.174 -43.1239 -125.174 -81.986 GPRESSURE: 2190800 26.9115 -6.91595 -15.4729 -2.23611 237.149 -98.2663 -92.5597 -95.7825 2.91043 PRESSAVG: 2190800 31.2271 33.0998 -80.2335 33.0998 38.2415 64.2888 -80.2335 64.2887 -48.9382 GPRESSAVG: 2190800 29.9308 33.417 -78.3512 32.1436 38.9941 65.3339 -83.9234 63.6066 -48.9583 TIMING: 2190800 CPU: 6604.55, 0.0030387/step Wall: 6604.55, 0.0030387/step, 2.3712 hours remaining, 209.656250 MB of memory in use. ENERGY: 2190800 746.5380 2075.1723 1954.2790 101.6684 -206023.4593 17839.3188 0.0000 0.0000 34120.4251 -149186.0577 297.9822 -183306.4828 -149091.3765 299.4184 60.4605 88.9904 557953.3503 6.8435 6.6555 PRESSURE: 2191000 -46.5106 27.0174 -238.592 27.0168 -189.253 -144.09 -238.593 -144.09 107.435 GPRESSURE: 2191000 -17.7147 47.42 -204.04 5.18524 -85.6683 -74.7153 -219.067 -167.127 82.057 PRESSAVG: 2191000 -43.3026 -72.0487 3.57448 -72.0485 45.448 25.5414 3.57461 25.5413 15.8909 GPRESSAVG: 2191000 -42.9993 -73.6637 4.47527 -70.9447 44.7329 26.5262 5.41122 24.7982 15.9135 TIMING: 2191000 CPU: 6605.15, 0.00302287/step Wall: 6605.15, 0.00302287/step, 2.35868 hours remaining, 209.656250 MB of memory in use. ENERGY: 2191000 766.4735 2079.4674 1919.6576 110.5625 -206140.2224 17755.6924 0.0000 0.0000 34165.8305 -149342.5384 298.3787 -183508.3690 -149243.6356 298.5895 -42.7762 -7.1087 557159.8353 6.0121 5.8824 PRESSURE: 2191200 -147.571 -60.6562 -19.4996 -60.6573 23.6079 -129.078 -19.5007 -129.079 -155.113 GPRESSURE: 2191200 -73.2947 -84.5785 -10.4945 -27.4134 46.92 -47.6937 15.001 -29.2395 -155.716 PRESSAVG: 2191200 -27.4904 -18.5993 -19.2247 -18.5994 81.1443 -30.4549 -19.2247 -30.4548 -55.9159 GPRESSAVG: 2191200 -27.4819 -17.9468 -20.5367 -18.7997 81.7139 -29.1307 -19.3816 -30.8077 -55.9511 TIMING: 2191200 CPU: 6605.76, 0.00301768/step Wall: 6605.76, 0.00301768/step, 2.35446 hours remaining, 209.656250 MB of memory in use. ENERGY: 2191200 769.9699 2072.9572 1904.2441 114.7589 -206167.6681 17920.5946 0.0000 0.0000 34097.8249 -149287.3185 297.7848 -183385.1434 -149191.5774 298.5939 -93.0255 -60.6970 558893.8990 -0.7540 -0.5730 PRESSURE: 2191400 -105.317 -76.6271 -198.017 -76.6281 19.2811 -31.1474 -198.017 -31.1481 34.0929 GPRESSURE: 2191400 -63.6076 -14.5365 -188.454 -158.875 122.593 -52.1485 -224.101 -18.1029 -29.6699 PRESSAVG: 2191400 8.126 38.4937 0.102157 38.4937 53.2913 32.6603 0.102069 32.6602 -40.9931 GPRESSAVG: 2191400 7.56811 37.7534 0.716686 37.2288 54.8121 32.0243 -1.45211 32.5001 -41.9204 TIMING: 2191400 CPU: 6606.36, 0.00300068/step Wall: 6606.36, 0.00300068/step, 2.34103 hours remaining, 209.656250 MB of memory in use. ENERGY: 2191400 742.4737 2074.6446 1946.3640 108.1725 -205786.3182 17650.8820 0.0000 0.0000 34065.9533 -149197.8281 297.5064 -183263.7814 -149097.1731 299.1219 -17.3143 9.7720 558051.4399 6.8081 6.8199 PRESSURE: 2191600 266.264 -3.53596 -85.7995 -3.53769 -63.2306 112.446 -85.7991 112.446 -67.0473 GPRESSURE: 2191600 274.431 11.4253 -168.899 -73.0787 -13.379 47.7597 -0.831591 187.675 -27.0942 PRESSAVG: 2191600 38.339 15.1044 -35.8027 15.1044 -14.6813 60.0573 -35.8027 60.0573 -2.45636 GPRESSAVG: 2191600 38.5405 14.6866 -36.2281 16.4835 -16.0245 59.4647 -33.691 62.597 -0.726501 TIMING: 2191600 CPU: 6606.96, 0.0030157/step Wall: 6606.96, 0.0030157/step, 2.35258 hours remaining, 209.656250 MB of memory in use. ENERGY: 2191600 753.5943 2148.9490 1929.2515 109.1853 -206387.4838 17863.4147 0.0000 0.0000 34392.4285 -149190.6605 300.3576 -183583.0890 -149092.3279 298.7303 45.3286 77.9861 556532.9701 7.0671 7.2631 PRESSURE: 2191800 312.249 -142.875 -86.8879 -142.876 196.131 -7.52635 -86.8877 -7.52771 493.397 GPRESSURE: 2191800 321.961 -99.3289 -82.066 -71.8884 243.844 -1.87044 -48.6016 10.1545 531.145 PRESSAVG: 2191800 60.7265 7.88169 -32.2645 7.88175 -49.4444 -11.7875 -32.2645 -11.7875 -1.38178 GPRESSAVG: 2191800 60.2162 10.1577 -32.9861 5.00279 -49.9071 -13.4053 -30.1773 -11.3394 -0.630742 TIMING: 2191800 CPU: 6607.56, 0.00299829/step Wall: 6607.56, 0.00299829/step, 2.33884 hours remaining, 209.656250 MB of memory in use. ENERGY: 2191800 691.1172 2088.0927 1930.0281 121.6171 -206486.2507 18341.2895 0.0000 0.0000 34037.9678 -149276.1383 297.2620 -183314.1062 -149178.6730 299.1998 333.9255 365.6499 556013.6166 3.3001 3.2261 PRESSURE: 2192000 -115.322 0.154371 -49.472 0.155455 41.3649 -3.62734 -49.472 -3.62842 -85.183 GPRESSURE: 2192000 -130.739 15.3481 -26.9088 -124.895 79.8487 11.9933 -66.5087 -67.1158 -6.18946 PRESSAVG: 2192000 16.6704 17.5651 19.7841 17.5651 -33.3446 -7.78823 19.7841 -7.78832 11.3563 GPRESSAVG: 2192000 17.4662 16.3456 18.7374 17.3153 -32.1598 -5.21344 16.834 -10.6275 9.43697 TIMING: 2192000 CPU: 6608.16, 0.00300123/step Wall: 6608.16, 0.00300123/step, 2.34096 hours remaining, 209.656250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2192000 758.2657 2043.6339 1956.3908 106.8774 -206054.9514 17600.0379 0.0000 0.0000 34177.8491 -149411.8967 298.4837 -183589.7458 -149315.7129 298.9658 -53.0466 -19.0265 556408.4470 -1.7727 -1.7522 PRESSURE: 2192200 105.373 -173.43 82.2851 -173.43 -60.1488 145.839 82.2853 145.84 221.559 GPRESSURE: 2192200 113.058 -178.787 99.9916 -107.786 -35.1194 109.598 93.8416 185.725 291.956 PRESSAVG: 2192200 -77.9808 -12.2662 12.3264 -12.2663 -38.7928 12.641 12.3264 12.641 83.4014 GPRESSAVG: 2192200 -77.2839 -11.7431 14.4963 -9.88276 -40.5067 11.4025 13.1568 12.2721 84.324 TIMING: 2192200 CPU: 6608.76, 0.00298855/step Wall: 6608.76, 0.00298855/step, 2.3309 hours remaining, 209.656250 MB of memory in use. ENERGY: 2192200 767.0564 2103.4581 1932.3424 109.8623 -206383.5074 17858.4261 0.0000 0.0000 34158.3416 -149454.0205 298.3133 -183612.3622 -149361.5277 298.3186 88.9275 123.2981 556400.9891 -11.1241 -11.1555 LDB: ============= START OF LOAD BALANCING ============== 6612.27 LDB: ============== END OF LOAD BALANCING =============== 6612.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6612.28 LDB: ============= START OF LOAD BALANCING ============== 6612.58 LDB: Largest compute 4800 load 0.029106 is 24.6% of average load 0.118090 LDB: Average compute 0.001728 is 1.5% of average load 0.118090 LDB: TIME 6612.59 LOAD: AVG 0.11809 MAX 0.211168 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.711 MB LDB: TIME 6612.59 LOAD: AVG 0.11809 MAX 0.211168 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.914 MB LDB: TIME 6612.59 LOAD: AVG 0.11809 MAX 0.211168 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.914 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6612.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6612.59 PRESSURE: 2192400 -210.572 124.472 50.0194 124.472 -351.038 -9.48767 50.0201 -9.48559 -229.53 GPRESSURE: 2192400 -162.211 155.036 49.4575 31.6506 -297.632 12.8655 85.7863 -15.9324 -234.471 PRESSAVG: 2192400 -22.4291 29.6158 13.1966 29.6158 -13.0529 1.6642 13.1966 1.66423 3.93862 GPRESSAVG: 2192400 -23.3928 29.0099 11.9009 26.1181 -12.0266 0.65185 14.3988 5.01835 3.73164 TIMING: 2192400 CPU: 6609.38, 0.00309567/step Wall: 6609.38, 0.00309567/step, 2.41428 hours remaining, 210.242188 MB of memory in use. ENERGY: 2192400 767.2903 2066.7763 1950.5033 120.2733 -205790.4163 17489.1697 0.0000 0.0000 34042.1277 -149354.2758 297.2984 -183396.4035 -149258.5257 298.4388 -263.7132 -231.4378 557093.4880 -10.5145 -10.5626 PRESSURE: 2192600 -84.1274 -13.3197 -167.007 -13.3198 5.20114 122.94 -167.008 122.938 114.409 GPRESSURE: 2192600 -13.1454 32.9075 -246.351 -105.515 6.23545 106.506 -112.963 33.4611 147.85 PRESSAVG: 2192600 67.1096 -28.9928 -56.6602 -28.9927 -53.5421 -15.2603 -56.6603 -15.2604 0.216579 GPRESSAVG: 2192600 67.5796 -26.9759 -55.3684 -26.9237 -54.8792 -12.4223 -58.5236 -17.3442 1.63372 TIMING: 2192600 CPU: 6609.98, 0.00304078/step Wall: 6609.98, 0.00304078/step, 2.3713 hours remaining, 210.312500 MB of memory in use. ENERGY: 2192600 709.4734 2161.3600 1946.0026 120.2413 -206083.5575 17637.9039 0.0000 0.0000 34098.6151 -149409.9612 297.7917 -183508.5763 -149320.5573 298.2271 11.8275 46.9800 555810.4750 4.5947 4.7781 PRESSURE: 2192800 -56.0905 123.362 -113.755 123.362 217.531 -47.8093 -113.756 -47.8087 -82.3159 GPRESSURE: 2192800 17.8056 61.1216 -147.044 86.0546 142.76 -72.2216 -27.9403 -46.896 9.15824 PRESSAVG: 2192800 27.6622 30.2268 -40.3372 30.2268 32.0775 -18.9618 -40.3371 -18.9617 -35.8257 GPRESSAVG: 2192800 27.3084 28.6166 -41.8503 29.6326 32.6019 -20.0646 -40.005 -17.0059 -36.0746 TIMING: 2192800 CPU: 6610.59, 0.00303163/step Wall: 6610.59, 0.00303163/step, 2.364 hours remaining, 210.515625 MB of memory in use. ENERGY: 2192800 729.4847 2129.8903 1930.7121 115.3107 -206247.2945 17826.0005 0.0000 0.0000 34138.2098 -149377.6865 298.1375 -183515.8963 -149278.8435 298.9504 26.3749 56.5746 557326.1270 7.9714 7.9453 PRESSURE: 2193000 -157.127 104.105 70.332 104.106 -81.703 119.419 70.3322 119.418 193.465 GPRESSURE: 2193000 -124.149 -17.4976 44.2055 264.699 -75.4325 46.0898 46.1617 98.7871 243.913 PRESSAVG: 2193000 14.9631 -0.531297 1.25186 -0.53121 26.0033 -59.4962 1.25185 -59.4962 -26.0149 GPRESSAVG: 2193000 15.1704 0.921049 2.78961 -0.116187 27.1555 -61.3226 -2.19821 -60.324 -27.7592 TIMING: 2193000 CPU: 6611.19, 0.00301273/step Wall: 6611.19, 0.00301273/step, 2.3491 hours remaining, 210.515625 MB of memory in use. ENERGY: 2193000 754.2709 2112.5924 1922.1187 126.7324 -205734.3153 17506.9042 0.0000 0.0000 34055.2698 -149256.4269 297.4131 -183311.6966 -149155.4234 298.9156 -15.1214 14.7773 557451.7274 4.9838 4.8556 PRESSURE: 2193200 -133.762 151.671 112.228 151.67 -15.4161 -125.319 112.229 -125.317 -93.7879 GPRESSURE: 2193200 -91.6288 117.931 177.792 171.271 -4.00606 -143.798 34.8836 -156.445 -56.8731 PRESSAVG: 2193200 38.3396 4.54354 30.6009 4.54354 -33.4255 -56.6044 30.6009 -56.6044 -11.802 GPRESSAVG: 2193200 38.0842 4.76573 30.3259 3.74896 -33.4547 -54.1144 32.4928 -56.3533 -11.4854 TIMING: 2193200 CPU: 6611.79, 0.00300103/step Wall: 6611.79, 0.00300103/step, 2.3398 hours remaining, 210.515625 MB of memory in use. ENERGY: 2193200 746.3823 2085.7715 1950.4535 114.4028 -205840.3055 17602.0674 0.0000 0.0000 34150.8882 -149190.3396 298.2482 -183341.2278 -149095.2858 298.8781 -80.9887 -50.8360 557620.0740 -2.2960 -2.2853 PRESSURE: 2193400 -145.565 -172.24 28.4737 -172.24 14.481 24.9753 28.4743 24.9739 -175.31 GPRESSURE: 2193400 -142.187 -87.6367 45.7037 -150.168 79.2857 -91.9094 5.02578 97.5242 -148.612 PRESSAVG: 2193400 11.2153 27.7598 -12.3309 27.7597 -28.696 -34.6053 -12.3309 -34.6053 24.7152 GPRESSAVG: 2193400 12.375 26.4132 -13.1062 27.6095 -29.975 -36.4548 -9.75146 -32.5617 24.4361 TIMING: 2193400 CPU: 6612.4, 0.00303574/step Wall: 6612.4, 0.00303574/step, 2.3667 hours remaining, 210.515625 MB of memory in use. ENERGY: 2193400 788.6354 2092.2406 1951.2960 127.1854 -206233.9644 17742.8386 0.0000 0.0000 34299.4610 -149232.3074 299.5457 -183531.7684 -149138.7116 299.1406 -102.1314 -70.5044 557745.4483 2.4115 2.2787 PRESSURE: 2193600 -57.361 149.204 131.072 149.203 -312.625 -151.813 131.072 -151.813 -7.00205 GPRESSURE: 2193600 -36.5597 220.887 96.316 101.45 -323.568 -87.9618 135.01 -203.566 67.4396 PRESSAVG: 2193600 10.1241 24.8278 10.2054 24.8279 43.704 -46.0401 10.2055 -46.0401 -71.0208 GPRESSAVG: 2193600 8.2129 25.4005 11.3154 24.9328 43.4664 -43.4235 7.9245 -50.0736 -69.5921 TIMING: 2193600 CPU: 6613.01, 0.00303576/step Wall: 6613.01, 0.00303576/step, 2.36654 hours remaining, 210.515625 MB of memory in use. ENERGY: 2193600 759.6255 2058.9250 1944.1325 111.6824 -206039.6799 17667.0055 0.0000 0.0000 34200.4559 -149297.8530 298.6811 -183498.3089 -149199.8966 299.8477 -125.6628 -97.5628 557652.6366 -5.7309 -5.9709 PRESSURE: 2193800 78.6269 71.6322 -157.397 71.6335 -164.163 -110.774 -157.397 -110.775 -130.795 GPRESSURE: 2193800 53.8755 187.285 -147.98 82.1473 -109.24 -114.186 -91.1528 -34.0192 -66.6029 PRESSAVG: 2193800 64.873 -1.06191 8.24123 -1.06186 -2.82517 -30.7735 8.24114 -30.7736 -61.7331 GPRESSAVG: 2193800 64.3052 -1.56091 7.56261 -1.70104 -0.445318 -31.5166 9.17892 -27.6932 -63.1423 TIMING: 2193800 CPU: 6613.61, 0.00302725/step Wall: 6613.61, 0.00302725/step, 2.35974 hours remaining, 210.515625 MB of memory in use. ENERGY: 2193800 741.9525 2153.0538 1934.1697 126.6753 -205857.2528 17430.1974 0.0000 0.0000 34257.0963 -149214.1079 299.1757 -183471.2042 -149118.4096 299.8104 -72.1104 -40.6558 556778.9579 0.1049 0.2392 PRESSURE: 2194000 145.004 117.132 101.149 117.132 -93.7221 -99.0611 101.149 -99.0599 -64.603 GPRESSURE: 2194000 175.197 69.8245 49.8915 200.383 -34.4745 -55.9193 122.356 -124.842 -56.2315 PRESSAVG: 2194000 -13.5909 20.6838 18.1276 20.6839 -60.883 -12.4868 18.1277 -12.4868 66.9136 GPRESSAVG: 2194000 -11.9042 20.7109 20.1344 20.2913 -63.0271 -13.8249 18.0205 -14.0047 67.2684 TIMING: 2194000 CPU: 6614.22, 0.00302605/step Wall: 6614.22, 0.00302605/step, 2.35864 hours remaining, 210.515625 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: 2194000 749.1356 2098.2606 1928.8359 107.6200 -206022.1313 17690.1485 0.0000 0.0000 34307.6489 -149140.4817 299.6172 -183448.1306 -149042.2490 299.3211 -4.4405 28.1636 556937.1295 -2.5201 -2.5543 PRESSURE: 2194200 23.1932 236.421 -98.1383 236.422 1.75986 29.579 -98.1382 29.5792 -217.948 GPRESSURE: 2194200 17.7768 166.546 -96.6134 239.15 -25.525 -52.6132 -79.057 110.29 -95.9913 PRESSAVG: 2194200 7.22876 -22.5726 22.935 -22.5725 13.8303 -3.06718 22.9351 -3.0671 -28.052 GPRESSAVG: 2194200 7.52026 -24.1737 21.523 -20.4101 13.959 -1.725 22.6771 -3.90587 -28.7529 TIMING: 2194200 CPU: 6614.83, 0.00303702/step Wall: 6614.83, 0.00303702/step, 2.36702 hours remaining, 210.515625 MB of memory in use. ENERGY: 2194200 746.6916 2112.9252 1911.6865 113.7736 -205790.9323 17658.5616 0.0000 0.0000 34184.4914 -149062.8024 298.5417 -183247.2939 -148973.6801 299.6918 -64.3315 -34.5798 557833.2020 -2.3310 -2.4245 PRESSURE: 2194400 -61.9113 34.3636 -12.7961 34.3633 -93.6015 64.1116 -12.7971 64.112 68.8972 GPRESSURE: 2194400 -68.3383 28.4212 102.188 29.0403 -28.1943 64.7364 83.2681 -51.6436 109.351 PRESSAVG: 2194400 1.8224 42.8822 10 42.8821 14.453 10.7427 10.0002 10.7428 -34.243 GPRESSAVG: 2194400 0.648108 43.946 9.20047 41.508 14.6595 10.4911 11.4743 12.8958 -33.3506 TIMING: 2194400 CPU: 6615.44, 0.00305153/step Wall: 6615.44, 0.00305153/step, 2.37816 hours remaining, 210.515625 MB of memory in use. ENERGY: 2194400 758.0220 2060.7458 1905.7246 108.2168 -206127.5893 17832.0740 0.0000 0.0000 34447.8189 -149014.9871 300.8414 -183462.8060 -148924.9893 300.6805 -28.8719 4.2727 557197.1957 -5.9892 -6.0143 PRESSURE: 2194600 -76.0327 -41.3785 -0.744874 -41.3776 -302.719 -28.5537 -0.743087 -28.5537 -39.8605 GPRESSURE: 2194600 -79.9307 -52.1754 -70.1277 18.85 -258.534 -35.9529 -2.57343 -50.1297 8.61156 PRESSAVG: 2194600 11.0001 26.8075 28.5429 26.8074 17.0446 -1.20434 28.5428 -1.20437 38.8199 GPRESSAVG: 2194600 10.2517 25.4946 25.952 30.2516 16.9291 -2.13317 28.602 -1.10821 39.8574 TIMING: 2194600 CPU: 6616.04, 0.00302628/step Wall: 6616.04, 0.00302628/step, 2.35832 hours remaining, 210.515625 MB of memory in use. ENERGY: 2194600 733.4406 2060.8603 1900.5842 127.2464 -206002.3915 17603.5118 0.0000 0.0000 34414.8562 -149161.8920 300.5535 -183576.7483 -149061.3106 299.5864 -139.5372 -109.9510 557564.4026 22.2882 22.3461 PRESSURE: 2194800 114.24 -58.3022 -51.0766 -58.3026 -7.92714 20.5016 -51.0776 20.501 -44.3958 GPRESSURE: 2194800 211.096 -76.2164 -66.9195 -109.479 -43.1905 95.9476 3.21317 -18.5302 -3.1808 PRESSAVG: 2194800 -23.3785 39.4059 33.3305 39.4058 1.93791 -6.19956 33.3306 -6.1997 -6.72799 GPRESSAVG: 2194800 -22.8032 40.3405 36.1423 37.6457 3.03297 -5.01592 30.7321 -8.29334 -7.92505 TIMING: 2194800 CPU: 6616.64, 0.00299547/step Wall: 6616.64, 0.00299547/step, 2.33413 hours remaining, 210.515625 MB of memory in use. ENERGY: 2194800 673.9456 2061.3004 1895.4213 125.0158 -206112.0702 17690.6558 0.0000 0.0000 34197.5019 -149468.2294 298.6553 -183665.7313 -149369.4328 299.6047 20.6391 54.9082 555385.2297 -9.3895 -9.2318 PRESSURE: 2195000 17.0117 -254.522 -28.3043 -254.522 -145.797 43.1833 -28.302 43.1829 -257.526 GPRESSURE: 2195000 67.7727 -253.651 9.89572 -238.689 -141.03 -7.98202 7.65779 85.6435 -221.329 PRESSAVG: 2195000 -7.10126 -17.4283 -23.693 -17.4283 78.9266 29.8993 -23.693 29.8993 -31.1776 GPRESSAVG: 2195000 -7.02601 -15.5211 -22.2914 -17.9038 80.0546 27.0332 -20.0071 33.9447 -32.7007 TIMING: 2195000 CPU: 6617.24, 0.00299351/step Wall: 6617.24, 0.00299351/step, 2.33244 hours remaining, 210.515625 MB of memory in use. ENERGY: 2195000 734.7554 2104.0279 1921.7283 107.1412 -205940.7784 17679.8504 0.0000 0.0000 34097.6038 -149295.6714 297.7829 -183393.2752 -149203.8251 299.1112 -128.7706 -98.1956 556464.5011 13.5492 13.4426 PRESSURE: 2195200 -65.758 69.5706 100.15 69.5696 4.59828 -28.0462 100.151 -28.048 -23.32 GPRESSURE: 2195200 3.98289 -0.344638 77.0916 116.225 9.15038 40.9812 119.466 62.7032 -6.97757 PRESSAVG: 2195200 -24.0899 -8.53695 -24.4146 -8.53693 78.0837 -0.83574 -24.4146 -0.835837 -6.98271 GPRESSAVG: 2195200 -23.212 -10.5436 -26.1346 -9.8034 77.4011 0.271617 -26.6086 -3.82788 -6.60692 TIMING: 2195200 CPU: 6617.84, 0.00301203/step Wall: 6617.84, 0.00301203/step, 2.3467 hours remaining, 210.515625 MB of memory in use. ENERGY: 2195200 734.4641 2094.5480 1922.6862 109.6764 -205918.8229 17751.7308 0.0000 0.0000 34232.8823 -149072.8349 298.9643 -183305.7172 -148974.1046 299.2965 -28.1599 2.0519 558557.7822 15.6703 15.8607 PRESSURE: 2195400 -103.082 -129.647 -2.2258 -129.647 -188.522 -47.8212 -2.22501 -47.821 -125.831 GPRESSURE: 2195400 -39.9169 -112.817 -13.8422 -60.3353 -175.751 -87.8911 3.21478 -8.3275 -97.1768 PRESSAVG: 2195400 13.6063 -40.5463 -28.8879 -40.5463 -68.0513 10.59 -28.8878 10.59 40.097 GPRESSAVG: 2195400 13.8692 -38.7666 -28.6486 -39.0225 -69.144 10.3172 -30.9585 12.0897 41.7858 TIMING: 2195400 CPU: 6618.44, 0.00301433/step Wall: 6618.44, 0.00301433/step, 2.34833 hours remaining, 210.515625 MB of memory in use. ENERGY: 2195400 758.9177 2060.3005 1919.6823 117.7458 -205911.0842 17716.2377 0.0000 0.0000 34223.6751 -149114.5252 298.8839 -183338.2003 -149021.6361 300.1870 -139.1450 -104.2815 558773.8582 -4.7827 -4.4963 PRESSURE: 2195600 -229.635 -31.0356 -18.0301 -31.0353 -190.071 -4.71633 -18.0312 -4.71745 -59.1832 GPRESSURE: 2195600 -166.728 -28.1965 -92.4136 -91.8324 -136.083 -79.1971 -30.9506 37.0651 -86.8752 PRESSAVG: 2195600 -15.0078 12.7249 9.19895 12.725 11.9858 -1.60258 9.19879 -1.60255 46.0388 GPRESSAVG: 2195600 -14.6833 11.1826 8.75653 11.5276 13.2973 -2.15855 10.2125 -4.14832 44.1769 TIMING: 2195600 CPU: 6619.05, 0.00301972/step Wall: 6619.05, 0.00301972/step, 2.35236 hours remaining, 210.515625 MB of memory in use. ENERGY: 2195600 753.8015 2092.7010 1905.7867 109.5719 -205867.4941 17574.3371 0.0000 0.0000 34295.0417 -149136.2542 299.5071 -183431.2959 -149041.0368 299.6240 -159.6298 -129.8951 558115.6835 14.3389 14.2636 PRESSURE: 2195800 -179.289 -57.9762 113.891 -57.9755 51.0834 -145.678 113.891 -145.678 -64.7106 GPRESSURE: 2195800 -125.913 -47.7002 147.84 -37.0227 88.1866 -75.7154 109.525 -96.5646 -72.0924 PRESSAVG: 2195800 0.352377 -20.3355 32.0927 -20.3355 -50.2578 -40.2281 32.0927 -40.228 49.0753 GPRESSAVG: 2195800 -1.87024 -19.366 32.963 -20.0294 -49.9701 -40.1901 33.0919 -36.4773 50.7191 TIMING: 2195800 CPU: 6619.65, 0.00303321/step Wall: 6619.65, 0.00303321/step, 2.3627 hours remaining, 210.515625 MB of memory in use. ENERGY: 2195800 761.8556 2068.8945 1933.4668 113.0363 -206039.9590 17760.6820 0.0000 0.0000 34319.4647 -149082.5592 299.7204 -183402.0239 -148982.6158 299.6329 -64.3054 -36.6064 556212.9916 -0.2767 -0.3737 PRESSURE: 2196000 42.8422 -86.2562 167.047 -86.2564 135.568 82.6062 167.047 82.608 -154.146 GPRESSURE: 2196000 59.1952 -95.4503 261.776 -133.416 194.343 110.908 90.378 20.7099 -135.687 PRESSAVG: 2196000 10.102 -33.714 -45.2267 -33.7139 -35.2758 19.5845 -45.2267 19.5846 5.87104 GPRESSAVG: 2196000 11.2192 -34.4238 -46.6075 -32.6498 -36.2805 20.6803 -44.854 17.4479 6.2487 TIMING: 2196000 CPU: 6620.26, 0.00301527/step Wall: 6620.26, 0.00301527/step, 2.34856 hours remaining, 210.515625 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: 2196000 719.8714 2133.8785 1902.1024 103.9786 -206110.0952 17585.3839 0.0000 0.0000 34597.8128 -149067.0676 302.1513 -183664.8804 -148968.9040 299.7163 8.0879 39.2839 556541.7998 -6.4342 -6.2709 PRESSURE: 2196200 214.876 -69.4469 -48.4689 -69.4467 41.2788 84.9575 -48.4684 84.9572 46.2476 GPRESSURE: 2196200 210.55 -82.2809 -41.417 -71.558 93.1508 121.138 -134.988 64.7798 86.0184 PRESSAVG: 2196200 46.027 -3.91806 5.19531 -3.91798 38.1915 -21.2738 5.19537 -21.2739 -74.1984 GPRESSAVG: 2196200 46.4102 -4.22971 4.59388 -2.38043 37.8921 -20.0384 4.82783 -22.1133 -74.0279 TIMING: 2196200 CPU: 6620.86, 0.00302383/step Wall: 6620.86, 0.00302383/step, 2.35506 hours remaining, 210.515625 MB of memory in use. ENERGY: 2196200 748.2084 2098.7662 1923.0109 106.6952 -205914.5580 17727.5254 0.0000 0.0000 34298.4605 -149011.8913 299.5370 -183310.3518 -148919.5421 300.0725 100.8007 129.9064 556352.2131 3.3400 3.4248 LDB: ============= START OF LOAD BALANCING ============== 6624.38 LDB: ============== END OF LOAD BALANCING =============== 6624.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6624.38 LDB: ============= START OF LOAD BALANCING ============== 6624.68 LDB: Largest compute 4772 load 0.028392 is 24.1% of average load 0.118007 LDB: Average compute 0.001726 is 1.5% of average load 0.118007 LDB: TIME 6624.69 LOAD: AVG 0.118007 MAX 0.206916 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209 MB LDB: TIME 6624.69 LOAD: AVG 0.118007 MAX 0.206916 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.066 MB LDB: TIME 6624.69 LOAD: AVG 0.118007 MAX 0.206916 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.066 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6624.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6624.69 PRESSURE: 2196400 -182.946 -87.7281 -71.5786 -87.7279 65.9297 -37.5302 -71.5782 -37.5313 -87.3057 GPRESSURE: 2196400 -191.103 -87.4726 -115.732 -114.481 113.309 -20.3083 -89.2788 -103.03 -27.4583 PRESSAVG: 2196400 -2.76575 26.8695 -67.9498 26.8695 -16.9022 -5.53953 -67.9498 -5.53965 -5.35706 GPRESSAVG: 2196400 -2.86568 26.0339 -67.4154 25.9803 -15.6552 -8.10164 -67.354 -4.60656 -6.45567 TIMING: 2196400 CPU: 6621.48, 0.00307209/step Wall: 6621.48, 0.00307209/step, 2.39248 hours remaining, 209.453125 MB of memory in use. ENERGY: 2196400 744.2754 2123.6382 1918.9593 98.3007 -206149.0268 17773.7169 0.0000 0.0000 34470.2371 -149019.8992 301.0372 -183490.1363 -148927.1184 300.4219 -68.1072 -35.0841 557264.7798 -8.3417 -8.3255 PRESSURE: 2196600 99.5217 123.525 69.1587 123.525 -204.072 -87.8936 69.1587 -87.8961 -52.0286 GPRESSURE: 2196600 100.811 130.534 172.585 120.564 -99.4598 -35.029 45.9196 -116.835 -62.8676 PRESSAVG: 2196600 80.3665 -53.1624 -32.9152 -53.1624 18.2351 23.5076 -32.9152 23.5075 -17.1908 GPRESSAVG: 2196600 79.1327 -52.6128 -31.5069 -54.5656 18.9304 26.0595 -32.5986 23.0043 -17.5147 TIMING: 2196600 CPU: 6622.08, 0.00300442/step Wall: 6622.08, 0.00300442/step, 2.33961 hours remaining, 209.656250 MB of memory in use. ENERGY: 2196600 755.2292 2067.3901 1893.6790 122.3808 -205686.9459 17466.6146 0.0000 0.0000 34430.9096 -148950.7426 300.6937 -183381.6522 -148850.0259 300.2176 -52.1928 -20.5055 557632.7123 27.1369 26.8495 PRESSURE: 2196800 -289.352 -8.99202 -65.5636 -8.9916 48.9922 -89.2196 -65.5646 -89.221 185.286 GPRESSURE: 2196800 -271.962 -51.6425 -146.649 14.3257 142.497 -69.6068 -4.95047 -91.5054 182.014 PRESSAVG: 2196800 23.1592 -1.39893 3.06974 -1.39885 -54.2401 17.4293 3.06976 17.4294 55.5336 GPRESSAVG: 2196800 23.7689 -0.873149 3.27088 -1.41295 -54.0446 16.7651 3.08105 17.9618 55.4096 TIMING: 2196800 CPU: 6622.68, 0.00299403/step Wall: 6622.68, 0.00299403/step, 2.33135 hours remaining, 209.656250 MB of memory in use. ENERGY: 2196800 731.6977 2078.2851 1922.7485 112.2270 -206001.7188 17791.7621 0.0000 0.0000 34328.2022 -149036.7962 299.7967 -183364.9984 -148937.6304 299.7398 -18.3580 17.5163 557379.7556 8.1509 8.3780 PRESSURE: 2197000 211.941 -5.23151 174.489 -5.23134 288.533 219.672 174.489 219.673 234.713 GPRESSURE: 2197000 241.748 45.4565 157.645 -89.7119 287.838 152.697 154.017 246.748 298.173 PRESSAVG: 2197000 -26.3626 9.69021 22.0617 9.6903 30.5656 13.9424 22.0618 13.9426 14.2316 GPRESSAVG: 2197000 -27.3527 8.48185 21.2961 9.87577 30.2082 12.7076 20.5501 14.241 16.3102 TIMING: 2197000 CPU: 6623.28, 0.00300461/step Wall: 6623.28, 0.00300461/step, 2.33942 hours remaining, 209.656250 MB of memory in use. ENERGY: 2197000 753.4854 2085.3713 1929.6157 103.1659 -206143.1693 17961.9248 0.0000 0.0000 34218.8616 -149090.7445 298.8418 -183309.6061 -149002.0011 299.7352 245.0622 275.9196 556142.8621 6.1449 6.3886 PRESSURE: 2197200 14.107 53.0671 277.478 53.0674 -184.856 -21.6743 277.48 -21.674 -91.3371 GPRESSURE: 2197200 34.0761 105.259 235.952 60.3459 -153.42 109.165 319.227 -67.8775 -62.4358 PRESSAVG: 2197200 -43.8445 23.2339 -35.5225 23.2338 37.2035 8.49306 -35.5226 8.49293 20.2292 GPRESSAVG: 2197200 -42.7136 22.8177 -34.6612 23.2746 37.4162 10.5444 -34.1773 8.36166 18.4654 TIMING: 2197200 CPU: 6623.88, 0.0030033/step Wall: 6623.88, 0.0030033/step, 2.33824 hours remaining, 209.656250 MB of memory in use. ENERGY: 2197200 722.8679 2063.9851 1927.1690 115.3485 -206051.6456 17728.1041 0.0000 0.0000 34359.3078 -149134.8631 300.0684 -183494.1709 -149044.1084 299.1199 -87.3621 -60.5932 557428.7578 4.5294 4.3893 PRESSURE: 2197400 -41.1405 164.085 -62.3565 164.085 -218.735 168.266 -62.3562 168.266 32.4161 GPRESSURE: 2197400 -23.4798 175.495 -118.301 152.759 -128.122 54.9783 43.0236 219.175 31.4355 PRESSAVG: 2197400 36.3666 5.61235 -7.95474 5.61234 -53.3569 18.9729 -7.9547 18.973 7.39962 GPRESSAVG: 2197400 35.4255 7.42995 -10.1075 7.56994 -53.9214 15.5673 -6.32734 17.3887 9.10663 TIMING: 2197400 CPU: 6624.48, 0.00299112/step Wall: 6624.48, 0.00299112/step, 2.32859 hours remaining, 209.656250 MB of memory in use. ENERGY: 2197400 759.7498 2070.7959 1924.4034 113.4344 -205950.9095 17713.4564 0.0000 0.0000 34193.5669 -149175.5027 298.6209 -183369.0696 -149073.3587 299.2962 -75.8197 -40.0552 556630.4196 -3.1969 -3.1298 PRESSURE: 2197600 52.6801 18.6249 44.125 18.6243 -79.0655 -97.1976 44.1259 -97.1985 48.0172 GPRESSURE: 2197600 88.6764 -34.8544 -14.8329 -31.1471 -39.8654 -112.582 33.3529 -75.1794 70.896 PRESSAVG: 2197600 11.5113 24.9211 4.75256 24.9212 -57.0713 -15.9223 4.7525 -15.9224 78.8769 GPRESSAVG: 2197600 11.7177 24.3654 3.65824 21.4396 -56.307 -13.5773 3.12011 -13.7753 78.4018 TIMING: 2197600 CPU: 6625.08, 0.00300085/step Wall: 6625.08, 0.00300085/step, 2.33599 hours remaining, 209.656250 MB of memory in use. ENERGY: 2197600 734.1674 2036.5909 1945.3487 109.0738 -206286.8742 17756.7310 0.0000 0.0000 34433.9800 -149270.9823 300.7205 -183704.9623 -149175.2733 298.8148 7.2106 39.9023 555723.3011 11.1056 11.2708 PRESSURE: 2197800 80.0605 89.1386 -14.1661 89.1384 320.343 45.8315 -14.1664 45.8308 149.329 GPRESSURE: 2197800 157.664 163.816 7.84501 30.925 289.644 48.9994 -14.8082 24.0599 204.557 PRESSAVG: 2197800 -48.5694 7.0936 -14.5784 7.09359 29.587 60.3175 -14.5784 60.3174 18.0491 GPRESSAVG: 2197800 -48.1229 6.99932 -12.1374 7.86403 29.4913 61.5004 -14.1063 59.3492 17.7267 TIMING: 2197800 CPU: 6625.67, 0.0029711/step Wall: 6625.67, 0.0029711/step, 2.31267 hours remaining, 209.656250 MB of memory in use. ENERGY: 2197800 759.7705 2049.1491 1937.6765 106.7447 -206264.9221 17914.7196 0.0000 0.0000 34212.0194 -149284.8423 298.7821 -183496.8617 -149192.9968 298.9163 183.2441 217.2886 555524.9064 -0.3111 -0.3016 PRESSURE: 2198000 -155.553 -123.219 -168.378 -123.219 94.7827 -106.225 -168.378 -106.224 -258.06 GPRESSURE: 2198000 -156.048 -175.809 -175.101 -13.6964 108.984 -1.55193 -118.683 -171.116 -170.46 PRESSAVG: 2198000 -47.2031 -35.6737 -25.5218 -35.6738 16.5223 101.769 -25.5216 101.769 39.6892 GPRESSAVG: 2198000 -45.4738 -36.5326 -26.2087 -34.502 15.4331 100.174 -24.257 103.354 39.206 TIMING: 2198000 CPU: 6626.26, 0.00295772/step Wall: 6626.26, 0.00295772/step, 2.30209 hours remaining, 209.917969 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: 2198000 730.1905 2086.6478 1934.7005 112.5812 -206353.8310 17560.7369 0.0000 0.0000 34406.4135 -149522.5606 300.4798 -183928.9741 -149421.8834 298.4990 -106.2766 -72.5081 556031.8464 3.0028 3.0551 PRESSURE: 2198200 -241.087 27.6719 -5.35326 27.6716 -176.536 2.28786 -5.35291 2.28655 116.668 GPRESSURE: 2198200 -169.905 11.0059 -74.706 55.3713 -176.82 121.47 -79.5109 -47.558 134.557 PRESSAVG: 2198200 19.4929 11.7976 17.3078 11.7976 27.655 29.4985 17.3078 29.4985 -23.6391 GPRESSAVG: 2198200 19.203 13.6853 17.8516 12.7166 27.4467 28.2566 15.9337 30.3861 -22.6861 TIMING: 2198200 CPU: 6626.86, 0.00297963/step Wall: 6626.86, 0.00297963/step, 2.31898 hours remaining, 209.917969 MB of memory in use. ENERGY: 2198200 751.5805 2064.0529 1937.0160 114.2352 -206526.5459 17773.6223 0.0000 0.0000 34408.7394 -149477.2995 300.5001 -183886.0390 -149378.2231 299.4815 -100.3180 -70.7228 556801.1153 7.8363 7.9879 PRESSURE: 2198400 -77.868 90.65 -23.059 90.651 -123.216 -19.4392 -23.0599 -19.4405 212.592 GPRESSURE: 2198400 5.23003 69.1372 18.179 127.543 -134.266 11.6888 -56.013 -44.5626 248.746 PRESSAVG: 2198400 -52.402 23.1598 5.13875 23.1597 -68.8882 4.5185 5.13871 4.51853 98.9321 GPRESSAVG: 2198400 -52.4463 21.5837 3.51452 23.8675 -67.6713 6.5849 5.49447 2.23437 97.9771 TIMING: 2198400 CPU: 6627.45, 0.00297842/step Wall: 6627.45, 0.00297842/step, 2.31787 hours remaining, 209.917969 MB of memory in use. ENERGY: 2198400 764.5607 1993.5795 1914.9789 101.5150 -206047.1267 17770.0746 0.0000 0.0000 34080.7549 -149421.6632 297.6357 -183502.4180 -149326.6907 298.6310 3.8361 39.9033 557588.5192 -7.4527 -7.3802 PRESSURE: 2198600 85.8127 81.0076 95.0096 81.0067 -192.344 91.6952 95.01 91.6952 -442.549 GPRESSURE: 2198600 149.209 50.721 97.5355 129.587 -208.128 142.738 57.7836 94.4318 -399.265 PRESSAVG: 2198600 26.3177 -25.1146 -17.2915 -25.1147 -18.6491 -22.4618 -17.2915 -22.4618 -24.4987 GPRESSAVG: 2198600 26.6278 -23.4208 -17.0223 -27.2092 -19.3513 -25.7085 -16.8025 -20.7691 -24.2118 TIMING: 2198600 CPU: 6628.06, 0.00302451/step Wall: 6628.06, 0.00302451/step, 2.35358 hours remaining, 209.917969 MB of memory in use. ENERGY: 2198600 733.4439 2066.8565 1940.9488 104.4214 -205813.4169 17488.5745 0.0000 0.0000 34066.0144 -149413.1574 297.5070 -183479.1718 -149314.6458 298.3176 -183.0268 -152.7280 558290.1241 -5.6100 -5.6451 PRESSURE: 2198800 -237.467 6.28897 -116.597 6.28946 -5.26847 -168.985 -116.597 -168.985 -125.461 GPRESSURE: 2198800 -185.558 -23.0081 -175.577 3.07989 13.5903 -113.774 -147.519 -174.698 -108.096 PRESSAVG: 2198800 12.1403 -12.6762 -41.2992 -12.6762 1.31188 -17.6624 -41.2991 -17.6625 -2.53312 GPRESSAVG: 2198800 12.8146 -12.2924 -40.3621 -12.3776 1.83183 -15.3575 -43.7145 -18.5549 -4.06946 TIMING: 2198800 CPU: 6628.65, 0.00298076/step Wall: 6628.65, 0.00298076/step, 2.31936 hours remaining, 209.917969 MB of memory in use. ENERGY: 2198800 714.9799 2070.2031 1944.4219 125.3743 -205935.2009 17706.8555 0.0000 0.0000 34161.2058 -149212.1604 298.3383 -183373.3662 -149113.3978 299.0780 -122.7323 -93.3545 558801.3746 3.6397 3.5256 PRESSURE: 2199000 -76.4304 -30.218 -30.7119 -30.2182 -99.9766 65.3522 -30.7122 65.3532 -8.6694 GPRESSURE: 2199000 -43.4308 -46.0804 -27.0477 -12.6323 -135.426 67.3543 -23.5363 20.1584 85.4422 PRESSAVG: 2199000 56.4255 -6.1112 -52.4714 -6.11132 -46.8754 1.65917 -52.4716 1.65912 -7.95523 GPRESSAVG: 2199000 55.4745 -6.07345 -51.5167 -8.12149 -46.1061 1.6139 -50.9974 3.11187 -7.96509 TIMING: 2199000 CPU: 6629.25, 0.00299649/step Wall: 6629.25, 0.00299649/step, 2.33144 hours remaining, 209.917969 MB of memory in use. ENERGY: 2199000 720.5960 2115.8070 1890.2342 119.2435 -205882.3776 17757.3754 0.0000 0.0000 34145.6331 -149133.4884 298.2023 -183279.1216 -149043.4450 299.7728 -61.6921 -31.1381 557994.6881 0.5316 0.4678 PRESSURE: 2199200 101.336 -162.476 -50.9208 -162.476 -74.5073 71.0521 -50.9205 71.0515 63.561 GPRESSURE: 2199200 112.49 -300.084 -67.3223 35.288 -3.77561 39.4454 20.1123 92.6246 74.6364 PRESSAVG: 2199200 -68.3318 12.4153 -33.7213 12.4153 49.5469 1.68012 -33.7214 1.68014 20.9677 GPRESSAVG: 2199200 -68.3533 11.9101 -34.6785 14.4376 49.7021 1.52646 -33.111 0.570274 21.3332 TIMING: 2199200 CPU: 6629.85, 0.00300255/step Wall: 6629.85, 0.00300255/step, 2.33598 hours remaining, 209.917969 MB of memory in use. ENERGY: 2199200 749.1469 2087.1558 1943.5717 106.0117 -206032.1179 17805.1917 0.0000 0.0000 34315.8737 -149025.1663 299.6891 -183341.0401 -148931.4598 299.5236 30.1299 61.1169 556938.6413 0.7276 0.8940 PRESSURE: 2199400 111.019 74.8413 37.5773 74.8418 455.175 142.2 37.5773 142.199 315.718 GPRESSURE: 2199400 188.54 64.9016 -11.8314 70.4033 457.141 278.85 75.6773 48.2537 330.574 PRESSAVG: 2199400 44.5367 21.0751 -49.6541 21.0752 -24.655 42.174 -49.654 42.174 -30.832 GPRESSAVG: 2199400 46.0329 21.3995 -49.5996 20.856 -26.1311 40.9563 -49.8278 44.0897 -30.843 TIMING: 2199400 CPU: 6630.46, 0.0030198/step Wall: 6630.46, 0.0030198/step, 2.34924 hours remaining, 209.917969 MB of memory in use. ENERGY: 2199400 718.9359 2101.1614 1902.7675 117.4541 -206455.1324 18024.9437 0.0000 0.0000 34510.8722 -149078.9976 301.3920 -183589.8698 -148979.9589 300.0007 293.9711 325.4185 556412.2832 -3.6501 -3.6470 PRESSURE: 2199600 279.251 91.6868 124.687 91.6856 84.5736 -109.608 124.686 -109.609 -44.6294 GPRESSURE: 2199600 303.844 53.463 94.5801 78.158 68.4963 -109.574 117.325 -108.226 46.3582 PRESSAVG: 2199600 43.7383 30.9634 0.655875 30.9634 57.8525 46.6914 0.655905 46.6914 -74.0604 GPRESSAVG: 2199600 41.572 29.0337 -1.03044 31.937 58.4628 47.1603 1.3459 44.0591 -72.3836 TIMING: 2199600 CPU: 6631.06, 0.00299356/step Wall: 6631.06, 0.00299356/step, 2.32866 hours remaining, 209.917969 MB of memory in use. ENERGY: 2199600 706.8048 2093.9029 1945.7559 111.1060 -206136.0592 17840.3898 0.0000 0.0000 34506.6462 -148931.4536 301.3551 -183438.0997 -148842.9652 299.6413 106.3986 139.5661 557395.9778 9.1768 9.2171 PRESSURE: 2199800 -7.91248 -68.6495 271.66 -68.6494 -183.849 9.61723 271.661 9.61826 26.7807 GPRESSURE: 2199800 -35.0089 -104.753 253.46 -58.1336 -66.4255 -4.16173 255.897 -15.184 31.6341 PRESSAVG: 2199800 -9.36089 3.07426 -2.99663 3.07426 15.0341 -8.76018 -2.99655 -8.76022 5.7686 GPRESSAVG: 2199800 -8.69696 3.68748 -1.23189 4.48511 15.0912 -9.83732 -3.13128 -8.00653 5.07198 TIMING: 2199800 CPU: 6631.66, 0.00300195/step Wall: 6631.66, 0.00300195/step, 2.33502 hours remaining, 209.917969 MB of memory in use. ENERGY: 2199800 755.6729 2078.8136 1907.5229 113.4097 -205890.3057 17734.6156 0.0000 0.0000 34237.7459 -149062.5251 299.0068 -183300.2710 -148965.3694 299.6579 -54.9935 -23.2668 556756.2270 3.8139 3.8221 PRESSURE: 2200000 62.3254 -212.198 38.7992 -212.198 36.1827 -90.2524 38.7996 -90.2532 26.4525 GPRESSURE: 2200000 91.3949 -145.224 20.7184 -215.133 44.9488 -84.6836 20.66 -84.6024 84.97 PRESSAVG: 2200000 -18.5737 -46.9502 -40.0126 -46.9503 -8.34827 69.8236 -40.0125 69.8236 13.7672 GPRESSAVG: 2200000 -19.3361 -46.8079 -40.0569 -49.4261 -8.66537 70.4482 -40.0427 70.1629 14.5428 TIMING: 2200000 CPU: 6632.26, 0.00300605/step Wall: 6632.26, 0.00300605/step, 2.33804 hours remaining, 209.917969 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: 2200000 761.5181 2117.0177 1925.2499 109.1395 -206097.9757 17902.0516 0.0000 0.0000 34211.3213 -149071.6774 298.7760 -183282.9988 -148975.1385 299.7880 41.6535 73.7712 557900.3397 -4.3849 -4.4862 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2200000 WRITING COORDINATES TO DCD FILE MD.3.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 82.5584 -26.3772 -62.861 -26.376 66.1498 22.9753 -62.8614 22.9765 -51.747 GPRESSURE: 2200200 119.795 -29.2162 -27.5044 -67.4074 51.2351 52.0062 -107.714 -37.2539 30.887 PRESSAVG: 2200200 -28.0585 12.2194 25.7888 12.2194 24.3675 15.5632 25.7888 15.5631 29.1647 GPRESSAVG: 2200200 -27.3634 13.0599 26.0329 12.7255 24.0503 17.8199 25.7214 13.6336 28.2794 TIMING: 2200200 CPU: 6632.88, 0.0030929/step Wall: 6632.88, 0.0030929/step, 2.40542 hours remaining, 209.917969 MB of memory in use. ENERGY: 2200200 761.7934 2111.3702 1919.0176 105.5395 -206490.8202 18047.6463 0.0000 0.0000 34519.6243 -149025.8288 301.4685 -183545.4531 -148931.5900 299.9213 32.3204 67.3058 557547.6089 8.4913 8.3221 LDB: ============= START OF LOAD BALANCING ============== 6636.4 LDB: ============== END OF LOAD BALANCING =============== 6636.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6636.4 LDB: ============= START OF LOAD BALANCING ============== 6636.7 LDB: Largest compute 4772 load 0.030442 is 25.8% of average load 0.118067 LDB: Average compute 0.001734 is 1.5% of average load 0.118067 LDB: TIME 6636.7 LOAD: AVG 0.118067 MAX 0.205511 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.43 MB LDB: TIME 6636.7 LOAD: AVG 0.118067 MAX 0.205511 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: TIME 6636.7 LOAD: AVG 0.118067 MAX 0.205511 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: ============== END OF LOAD BALANCING =============== 6636.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6636.71 PRESSURE: 2200400 -123.239 -64.3098 93.0636 -64.3094 -31.8728 97.4741 93.0636 97.4721 -28.3251 GPRESSURE: 2200400 -38.1742 -69.9343 50.279 28.4367 5.38504 58.8415 122.502 119.755 -51.8694 PRESSAVG: 2200400 44.0635 7.84143 -15.8912 7.84146 -14.5775 6.83001 -15.8911 6.83012 -16.9843 GPRESSAVG: 2200400 44.3107 8.01885 -16.3631 10.1532 -14.7132 5.52764 -16.7775 9.39706 -17.5113 TIMING: 2200400 CPU: 6633.49, 0.00308309/step Wall: 6633.49, 0.00308309/step, 2.39762 hours remaining, 210.164062 MB of memory in use. ENERGY: 2200400 739.3656 2137.5378 1908.4920 101.4447 -206243.4221 17763.5431 0.0000 0.0000 34362.6475 -149230.3914 300.0975 -183593.0388 -149135.2744 299.9730 -61.1456 -28.2195 558348.8342 4.1672 4.0287 PRESSURE: 2200600 67.1662 24.5898 -60.6466 24.5901 -91.2482 -52.3201 -60.646 -52.3206 16.1815 GPRESSURE: 2200600 94.224 56.933 -17.5417 83.6254 -27.6576 32.2072 -192.375 -70.4351 5.65322 PRESSAVG: 2200600 106.512 24.114 32.1091 24.1141 42.7956 46.7227 32.1092 46.7226 -78.2487 GPRESSAVG: 2200600 106.068 24.0588 32.9434 22.9334 44.2515 46.9228 32.2454 44.1348 -78.8843 TIMING: 2200600 CPU: 6634.1, 0.00301006/step Wall: 6634.1, 0.00301006/step, 2.34066 hours remaining, 210.367188 MB of memory in use. ENERGY: 2200600 747.3562 2018.6757 1942.1841 120.0529 -206020.6951 17790.1283 0.0000 0.0000 34129.7563 -149272.5415 298.0637 -183402.2978 -149181.8439 299.5242 -2.6335 24.0732 557613.5657 23.6864 23.8116 PRESSURE: 2200800 -145.363 147.055 -116.321 147.054 -70.4376 -4.42161 -116.321 -4.42235 -85.8462 GPRESSURE: 2200800 -93.1383 117.372 -103.343 175.725 -56.603 -22.6278 -196.384 -47.0941 -52.7537 PRESSAVG: 2200800 -36.0652 8.23952 -43.9992 8.23963 19.2166 66.876 -43.9991 66.876 18.3948 GPRESSAVG: 2200800 -36.2945 9.27659 -46.5288 8.51033 17.4718 65.7309 -42.8375 67.7327 20.2804 TIMING: 2200800 CPU: 6634.7, 0.00302732/step Wall: 6634.7, 0.00302732/step, 2.35391 hours remaining, 210.367188 MB of memory in use. ENERGY: 2200800 770.1675 2093.5041 1918.0886 107.1300 -206504.4871 17864.7265 0.0000 0.0000 34300.7579 -149450.1127 299.5570 -183750.8705 -149348.6739 299.1467 -100.5489 -67.4983 557508.0601 0.5154 0.4859 PRESSURE: 2201000 -125.434 -92.5494 82.2377 -92.5491 58.2719 -18.7203 82.2361 -18.72 205.774 GPRESSURE: 2201000 -72.9482 -89.05 171.382 -118.833 88.392 -48.4084 81.2575 -24.1737 215.829 PRESSAVG: 2201000 69.7533 7.00332 -18.2747 7.00341 -33.3297 13.7376 -18.2748 13.7377 -27.0926 GPRESSAVG: 2201000 69.197 3.52037 -16.45 7.47239 -31.7352 11.3202 -19.022 14.387 -27.729 TIMING: 2201000 CPU: 6635.31, 0.00302188/step Wall: 6635.31, 0.00302188/step, 2.34951 hours remaining, 210.367188 MB of memory in use. ENERGY: 2201000 732.9687 2126.5678 1910.6555 107.9120 -206207.9698 17727.7746 0.0000 0.0000 34176.1319 -149425.9591 298.4687 -183602.0910 -149322.5301 299.5878 46.2041 77.0909 556457.0366 3.1103 3.2443 PRESSURE: 2201200 -183.822 89.9982 -7.46752 89.9971 -82.5792 -73.3064 -7.46723 -73.3053 -374.169 GPRESSURE: 2201200 -146.835 26.1274 28.3325 20.4204 -80.1446 -133.5 -12.4858 40.3287 -310.925 PRESSAVG: 2201200 33.9581 -42.8211 8.506 -42.8212 -25.8102 24.016 8.50601 24.0161 -29.3935 GPRESSAVG: 2201200 34.5114 -41.0205 10.5258 -44.2961 -25.4842 27.8408 7.40494 22.0202 -30.0149 TIMING: 2201200 CPU: 6635.91, 0.0030326/step Wall: 6635.91, 0.0030326/step, 2.35768 hours remaining, 210.367188 MB of memory in use. ENERGY: 2201200 795.1577 2115.0588 1912.1597 121.7017 -206165.4909 17624.5871 0.0000 0.0000 34148.7112 -149448.1147 298.2292 -183596.8259 -149358.5967 298.6419 -213.5235 -179.3015 557952.9796 -7.0818 -6.9959 PRESSURE: 2201400 135.367 -80.0121 72.0511 -80.0118 264.408 -150.473 72.0508 -150.473 -52.9287 GPRESSURE: 2201400 153.591 -137.868 57.8535 -12.3847 295.992 -142.411 -0.798606 -226.561 -4.3151 PRESSAVG: 2201400 35.6111 -23.6737 -27.6154 -23.6737 21.2054 15.0429 -27.6155 15.043 -53.8669 GPRESSAVG: 2201400 35.8056 -22.0089 -29.0576 -23.457 20.1126 14.071 -28.1466 15.9508 -53.1047 TIMING: 2201400 CPU: 6636.51, 0.00300427/step Wall: 6636.51, 0.00300427/step, 2.33549 hours remaining, 210.367188 MB of memory in use. ENERGY: 2201400 730.6058 2079.9003 1930.9535 110.9074 -206419.7399 17959.1552 0.0000 0.0000 34207.0395 -149401.1781 298.7386 -183608.2177 -149310.2040 298.5717 115.6155 148.4225 558437.3061 0.9832 0.9379 PRESSURE: 2201600 -60.4964 202.251 -143.172 202.251 -7.90561 -56.517 -143.172 -56.5159 175.003 GPRESSURE: 2201600 -17.8 148.265 -124.911 224.159 25.3128 -64.7905 -96.3917 -52.6664 181.615 PRESSAVG: 2201600 29.5985 -31.8575 -11.2699 -31.8575 -10.8014 14.5257 -11.2699 14.5257 -35.5989 GPRESSAVG: 2201600 29.6401 -33.0843 -12.0293 -30.8935 -11.3499 13.1209 -9.34543 13.6856 -35.0384 TIMING: 2201600 CPU: 6637.12, 0.00304676/step Wall: 6637.12, 0.00304676/step, 2.36835 hours remaining, 210.367188 MB of memory in use. ENERGY: 2201600 758.4927 2073.0597 1918.4423 102.9253 -206388.2267 17828.5042 0.0000 0.0000 34295.9047 -149410.8979 299.5147 -183706.8026 -149314.5296 298.4777 35.5335 63.0425 557385.9338 -5.6006 -5.5827 PRESSURE: 2201800 96.0689 145.57 34.3291 145.571 67.9855 51.6672 34.3287 51.6657 153.075 GPRESSURE: 2201800 98.0247 141.938 -33.8798 112.152 73.6847 85.636 22.9738 86.8872 230.435 PRESSAVG: 2201800 31.624 -8.89112 -80.795 -8.8911 -37.0029 43.7668 -80.795 43.7667 7.60124 GPRESSAVG: 2201800 32.4713 -9.31608 -80.7487 -9.74993 -37.842 45.6061 -80.2233 45.4249 7.33678 TIMING: 2201800 CPU: 6637.73, 0.0030197/step Wall: 6637.73, 0.0030197/step, 2.34715 hours remaining, 210.367188 MB of memory in use. ENERGY: 2201800 735.9942 2152.2077 1915.0301 112.7453 -206664.9934 18106.1994 0.0000 0.0000 34478.3438 -149164.4728 301.1080 -183642.8167 -149077.5998 298.8005 105.7097 134.0482 558827.7061 0.7408 0.6554 PRESSURE: 2202000 -17.2447 -53.3624 77.5041 -53.3634 -173.445 8.14724 77.5038 8.14711 248.6 GPRESSURE: 2202000 -31.7548 -115.022 69.1555 -34.9942 -136.922 36.2997 64.0114 52.3313 323.544 PRESSAVG: 2202000 23.7246 67.3544 19.0925 67.3544 -56.3801 9.81445 19.0926 9.81438 69.0651 GPRESSAVG: 2202000 22.7238 67.4334 19.8698 67.3351 -54.9583 11.5562 18.2977 7.73452 68.883 TIMING: 2202000 CPU: 6638.33, 0.00299219/step Wall: 6638.33, 0.00299219/step, 2.3256 hours remaining, 210.367188 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: 2202000 749.2240 2090.9297 1943.6573 112.8588 -206203.2952 17775.2312 0.0000 0.0000 34336.1999 -149195.1943 299.8666 -183531.3942 -149101.4530 299.5558 19.3034 51.6224 557997.4386 12.1365 12.2162 PRESSURE: 2202200 -26.0157 117.2 -120.025 117.2 -290.997 -134.708 -120.026 -134.706 52.145 GPRESSURE: 2202200 -35.3232 52.8468 -78.7548 148.729 -212.025 -83.0649 -120.686 -144.813 74.198 PRESSAVG: 2202200 -60.3122 -18.1582 45.9491 -18.1582 -61.801 -24.7297 45.9491 -24.7297 125.453 GPRESSAVG: 2202200 -59.9506 -19.9795 48.5626 -17.5414 -61.8062 -26.8548 43.1716 -23.7056 125.287 TIMING: 2202200 CPU: 6638.93, 0.00300355/step Wall: 6638.93, 0.00300355/step, 2.33426 hours remaining, 210.500000 MB of memory in use. ENERGY: 2202200 753.7220 2141.1226 1948.9704 120.3394 -206196.2881 17751.2793 0.0000 0.0000 34300.3651 -149180.4892 299.5536 -183480.8543 -149082.7792 299.4935 -88.2893 -57.7169 559360.7942 1.1131 1.1769 PRESSURE: 2202400 276.617 -136.113 -5.20054 -136.112 307.254 3.2952 -5.20121 3.29492 57.7047 GPRESSURE: 2202400 302.407 -96.3747 -27.0352 -99.3815 322.299 -58.8164 -15.3698 -18.3517 113.655 PRESSAVG: 2202400 54.6096 12.1645 -53.6151 12.1646 -43.5075 -31.0115 -53.6152 -31.0115 -24.9375 GPRESSAVG: 2202400 54.4657 14.4708 -54.2695 11.662 -43.3679 -29.7452 -51.0587 -32.9554 -24.3241 TIMING: 2202400 CPU: 6639.52, 0.00298992/step Wall: 6639.52, 0.00298992/step, 2.3235 hours remaining, 210.500000 MB of memory in use. ENERGY: 2202400 738.3123 2055.4865 1926.9170 114.9420 -206265.2612 17973.1744 0.0000 0.0000 34193.2636 -149263.1654 298.6183 -183456.4290 -149165.7130 299.8039 213.8587 246.1204 555282.9228 -4.6118 -4.4087 PRESSURE: 2202600 -44.19 -50.4328 21.8417 -50.4314 -37.9852 152.493 21.8422 152.492 -165.518 GPRESSURE: 2202600 -13.0447 -17.324 -7.41548 30.7497 -10.248 60.2922 88.9134 258.513 -129.412 PRESSAVG: 2202600 25.778 -2.86971 -57.0306 -2.86965 -20.5922 35.5133 -57.0306 35.5132 -13.4596 GPRESSAVG: 2202600 26.866 -2.49348 -59.1075 -2.76526 -21.4099 37.1235 -57.2683 35.896 -13.7603 TIMING: 2202600 CPU: 6640.12, 0.00299024/step Wall: 6640.12, 0.00299024/step, 2.32358 hours remaining, 210.500000 MB of memory in use. ENERGY: 2202600 741.4612 2067.1569 1942.2613 118.2996 -206329.3748 17658.9779 0.0000 0.0000 34373.6006 -149427.6172 300.1932 -183801.2178 -149329.2159 298.6991 -82.5644 -50.9016 557189.5810 -2.7579 -2.7681 PRESSURE: 2202800 17.6914 50.3931 -107.336 50.3945 79.2548 136.282 -107.336 136.283 -188.174 GPRESSURE: 2202800 41.3345 74.7222 -144.269 27.2125 155.421 123.503 -53.886 101.595 -187.828 PRESSAVG: 2202800 -22.2229 -23.5853 3.93941 -23.5854 -13.9906 59.1329 3.93943 59.1329 9.93813 GPRESSAVG: 2202800 -23.2521 -22.7391 5.53798 -25.6901 -12.8403 56.5128 3.60939 59.663 9.17784 TIMING: 2202800 CPU: 6640.72, 0.0029791/step Wall: 6640.72, 0.0029791/step, 2.31476 hours remaining, 210.500000 MB of memory in use. ENERGY: 2202800 728.2756 2117.9300 1919.9337 116.9449 -206542.0212 17954.3536 0.0000 0.0000 34240.3947 -149464.1888 299.0299 -183704.5835 -149376.6776 298.8875 -30.4091 2.9758 557925.1073 -8.7585 -8.9715 PRESSURE: 2203000 113.535 121.775 89.7452 121.775 -182.861 -155.997 89.7462 -155.996 -130.281 GPRESSURE: 2203000 149.029 37.7978 141.466 153.427 -144.371 -129.457 14.8833 -215.3 -98.8009 PRESSAVG: 2203000 68.8785 3.25386 8.96594 3.25388 -26.5317 -51.1755 8.96586 -51.1755 -18.9948 GPRESSAVG: 2203000 68.1353 2.15434 7.53098 4.75677 -26.6607 -52.2031 9.32535 -51.5592 -18.3448 TIMING: 2203000 CPU: 6641.32, 0.00299082/step Wall: 6641.32, 0.00299082/step, 2.3237 hours remaining, 210.500000 MB of memory in use. ENERGY: 2203000 775.7289 2130.9452 1941.4611 116.8788 -206636.6434 17988.9823 0.0000 0.0000 34079.9407 -149602.7065 297.6286 -183682.6472 -149502.0044 298.4927 -66.5357 -31.3810 557137.2488 7.7840 7.7099 PRESSURE: 2203200 25.7814 56.1398 -108.025 56.1398 -77.9005 -80.0979 -108.025 -80.0981 127.237 GPRESSURE: 2203200 61.5732 66.408 -106.654 -7.10379 -20.4821 -224.49 -64.2294 -134.715 136.742 PRESSAVG: 2203200 68.7134 43.8726 -9.1999 43.8726 -60.8085 -31.3867 -9.19993 -31.3868 7.32891 GPRESSAVG: 2203200 68.611 42.1388 -8.25151 44.82 -61.4185 -29.5981 -10.4775 -31.8971 8.16665 TIMING: 2203200 CPU: 6641.91, 0.00295961/step Wall: 6641.91, 0.00295961/step, 2.29929 hours remaining, 210.500000 MB of memory in use. ENERGY: 2203200 754.0777 2127.2039 1918.1019 116.7297 -206412.1248 17976.6202 0.0000 0.0000 33963.9897 -149555.4015 296.6160 -183519.3913 -149460.7270 297.7845 25.0394 59.2777 559409.6773 5.0779 5.1197 PRESSURE: 2203400 -113.704 62.4384 -13.2989 62.4381 -259.253 -69.8095 -13.2983 -69.8114 -316.777 GPRESSURE: 2203400 -4.92713 122.002 52.48 -43.6854 -265.086 -124.695 -5.93794 -22.8175 -320.732 PRESSAVG: 2203400 12.8726 62.9299 -23.2292 62.93 -79.1101 8.58459 -23.2292 8.58449 21.7208 GPRESSAVG: 2203400 14.3526 64.6997 -22.7749 61.797 -78.4127 7.69373 -22.126 9.19739 19.8929 TIMING: 2203400 CPU: 6642.5, 0.00296887/step Wall: 6642.5, 0.00296887/step, 2.30632 hours remaining, 210.500000 MB of memory in use. ENERGY: 2203400 743.1736 2073.2911 1954.4351 116.0482 -206202.0845 17633.7749 0.0000 0.0000 34095.0586 -149586.3029 297.7606 -183681.3615 -149485.5480 297.6811 -229.9115 -196.9152 558528.5637 -14.8389 -14.7224 PRESSURE: 2203600 169.119 -123.931 14.7498 -123.931 -441.129 26.4019 14.7501 26.4016 20.4224 GPRESSURE: 2203600 164.934 -125.461 -22.9037 -106.57 -411.455 61.5332 39.4064 13.8056 102.36 PRESSAVG: 2203600 56.7581 66.2321 9.98845 66.2321 -22.3398 50.2523 9.98854 50.2524 -11.3192 GPRESSAVG: 2203600 55.1866 65.4541 10.5475 65.8461 -22.4449 51.0948 9.02604 52.4499 -9.81514 TIMING: 2203600 CPU: 6643.11, 0.00302993/step Wall: 6643.11, 0.00302993/step, 2.35358 hours remaining, 210.500000 MB of memory in use. ENERGY: 2203600 751.5804 2087.5977 1932.7620 98.6384 -206445.5316 17733.2791 0.0000 0.0000 34223.2589 -149618.4151 298.8802 -183841.6740 -149510.7441 298.0591 -83.8625 -48.0537 557373.2056 7.6997 7.6422 PRESSURE: 2203800 -113.228 1.34967 131.512 1.35112 16.0794 -54.35 131.513 -54.3492 19.3873 GPRESSURE: 2203800 -27.7416 18.5481 108.106 13.5909 -34.9312 -102.437 161.91 -51.8281 71.5232 PRESSAVG: 2203800 70.5639 -9.09491 -21.2752 -9.09489 -57.0522 0.658706 -21.2752 0.658682 -47.4159 GPRESSAVG: 2203800 72.6395 -8.02883 -22.66 -8.16985 -57.7904 -0.199945 -17.9213 -2.20689 -48.1961 TIMING: 2203800 CPU: 6643.71, 0.00303691/step Wall: 6643.71, 0.00303691/step, 2.35884 hours remaining, 210.500000 MB of memory in use. ENERGY: 2203800 747.2041 2133.8650 1914.5392 112.8817 -206588.6430 17823.7084 0.0000 0.0000 34134.2784 -149722.1661 298.1031 -183856.4445 -149626.9224 297.7134 -25.9204 2.9501 558594.4868 -11.3014 -11.1157 PRESSURE: 2204000 325.377 -196.289 -59.7596 -196.29 97.3616 139.445 -59.7602 139.446 98.8926 GPRESSURE: 2204000 370.868 -176.717 -74.1339 -147.183 143.778 142.627 -122.697 137.122 114.67 PRESSAVG: 2204000 -16.8929 -14.6553 9.29745 -14.6553 14.3972 31.9132 9.29745 31.9132 43.9355 GPRESSAVG: 2204000 -16.3893 -14.7615 9.36045 -15.8952 14.7519 30.57 7.14111 34.6467 43.3356 TIMING: 2204000 CPU: 6644.32, 0.00302982/step Wall: 6644.32, 0.00302982/step, 2.35316 hours remaining, 210.500000 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: 2204000 753.1574 2112.4980 1913.3242 106.8475 -206886.1028 18280.6316 0.0000 0.0000 34014.2779 -149705.3661 297.0551 -183719.6440 -149610.6435 297.7947 173.8769 209.7717 557311.1068 13.8132 13.8994 PRESSURE: 2204200 -362.227 -60.5915 80.4149 -60.5906 10.8027 -6.2339 80.4142 -6.23245 -241.849 GPRESSURE: 2204200 -309.934 -73.0728 85.671 -96.2871 15.3281 48.2074 64.5932 -135.077 -198.811 PRESSAVG: 2204200 19.9741 -18.4203 33.1328 -18.4203 -47.8387 -15.1462 33.1327 -15.1461 14.4332 GPRESSAVG: 2204200 17.276 -19.0983 34.2493 -17.4111 -46.9425 -15.9918 32.4588 -15.9733 15.8928 TIMING: 2204200 CPU: 6644.93, 0.00302894/step Wall: 6644.93, 0.00302894/step, 2.35231 hours remaining, 210.500000 MB of memory in use. ENERGY: 2204200 768.9238 2069.2903 1942.6028 121.2181 -206377.9720 17584.4671 0.0000 0.0000 34181.8472 -149709.6226 298.5186 -183891.4699 -149616.2451 298.1435 -197.7576 -164.4723 557010.3133 -4.4771 -4.5912 LDB: ============= START OF LOAD BALANCING ============== 6648.45 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6648.45 LDB: =============== DONE WITH MIGRATION ================ 6648.45 LDB: ============= START OF LOAD BALANCING ============== 6648.75 LDB: Largest compute 4772 load 0.030483 is 25.8% of average load 0.117975 LDB: Average compute 0.001738 is 1.5% of average load 0.117975 LDB: TIME 6648.75 LOAD: AVG 0.117975 MAX 0.207626 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.285 MB LDB: TIME 6648.75 LOAD: AVG 0.117975 MAX 0.207626 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.488 MB LDB: TIME 6648.75 LOAD: AVG 0.117975 MAX 0.207626 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.488 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6648.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6648.76 PRESSURE: 2204400 77.4876 -18.6868 4.13263 -18.6862 65.983 52.1788 4.13184 52.177 -38.8939 GPRESSURE: 2204400 141.317 -7.90615 -3.96475 -23.4724 74.2115 102.625 7.06297 33.025 -22.7991 PRESSAVG: 2204400 -49.8956 14.5948 -13.9315 14.5948 -12.145 -7.64545 -13.9315 -7.64519 27.4642 GPRESSAVG: 2204400 -49.6767 13.9164 -14.4125 17.2141 -13.3089 -5.02496 -11.899 -10.32 27.7359 TIMING: 2204400 CPU: 6645.54, 0.003084/step Wall: 6645.54, 0.003084/step, 2.3949 hours remaining, 210.050781 MB of memory in use. ENERGY: 2204400 782.1739 2107.6218 1935.9415 116.6720 -207082.2939 18149.6867 0.0000 0.0000 34424.8317 -149565.3661 300.6406 -183990.1979 -149460.2182 298.0619 34.8589 64.2430 557538.4250 -11.5255 -11.7499 PRESSURE: 2204600 -234.059 -18.6369 -28.7663 -18.6359 -353.348 88.444 -28.7648 88.4441 -197.245 GPRESSURE: 2204600 -196.08 -2.23194 -46.5591 -37.6208 -327.534 90.9604 -88.3459 -39.4234 -161.911 PRESSAVG: 2204600 30.3883 -26.6766 33.9716 -26.6766 -17.4303 27.4202 33.9715 27.4203 -20.8489 GPRESSAVG: 2204600 30.6528 -25.2434 34.3726 -30.1687 -16.8972 24.2662 33.8752 29.7452 -21.1061 TIMING: 2204600 CPU: 6646.15, 0.00304457/step Wall: 6646.15, 0.00304457/step, 2.36411 hours remaining, 210.253906 MB of memory in use. ENERGY: 2204600 736.6036 2089.4471 1921.0707 116.4374 -206522.3106 17667.6852 0.0000 0.0000 34377.9081 -149613.1586 300.2308 -183991.0666 -149513.2796 298.5471 -261.5508 -228.5086 558444.3800 -2.6303 -2.4502 PRESSURE: 2204800 -70.4341 67.9894 -73.5566 67.9898 -198.415 8.43154 -73.5549 8.43144 16.2515 GPRESSURE: 2204800 -94.9715 75.1073 -51.2213 84.0059 -141.043 94.2858 -24.6113 29.3152 79.438 PRESSAVG: 2204800 64.0212 -15.2873 -17.1359 -15.2873 -60.9117 38.2454 -17.1359 38.2456 42.2881 GPRESSAVG: 2204800 65.0247 -16.7835 -15.742 -13.3812 -61.2339 39.8812 -18.6198 37.3371 42.1686 TIMING: 2204800 CPU: 6646.76, 0.00304616/step Wall: 6646.76, 0.00304616/step, 2.36517 hours remaining, 210.253906 MB of memory in use. ENERGY: 2204800 785.3968 2072.7722 1895.9891 102.6673 -206425.3371 17692.8114 0.0000 0.0000 34215.1868 -149660.5135 298.8097 -183875.7003 -149562.8206 298.6002 -84.1991 -52.1920 557095.7605 15.1325 15.3198 PRESSURE: 2205000 146.755 -83.6369 -100.653 -83.6361 144.324 220.049 -100.654 220.049 -63.5923 GPRESSURE: 2205000 193.818 -155.182 -47.8979 -62.2693 214.919 187.62 -143.872 235.788 -82.0374 PRESSAVG: 2205000 2.14088 33.6721 40.0929 33.6722 -4.32384 54.3103 40.0928 54.3105 -12.6142 GPRESSAVG: 2205000 1.35587 31.5149 38.741 33.2563 -4.3066 54.1637 39.3223 54.4527 -11.8501 TIMING: 2205000 CPU: 6647.37, 0.00303871/step Wall: 6647.37, 0.00303871/step, 2.35922 hours remaining, 210.253906 MB of memory in use. ENERGY: 2205000 743.2146 2041.0124 1929.5309 121.1790 -206610.1902 17948.9506 0.0000 0.0000 34270.9170 -149555.3857 299.2964 -183826.3028 -149461.6853 298.4806 75.8290 108.8997 555571.1940 -4.9324 -4.9336 PRESSURE: 2205200 -16.6438 -35.1129 66.4395 -35.1119 -28.9547 -21.8257 66.4398 -21.8265 -60.1287 GPRESSURE: 2205200 -72.2964 50.1172 39.2876 -131.501 14.9522 -55.5532 147.787 -33.0524 43.6772 PRESSAVG: 2205200 -24.2113 32.2031 -40.7182 32.2031 100.527 48.3876 -40.7181 48.3877 -53.8105 GPRESSAVG: 2205200 -23.466 34.9846 -43.2901 31.2896 99.7873 50.1397 -38.6827 48.1735 -54.4657 TIMING: 2205200 CPU: 6647.97, 0.00301209/step Wall: 6647.97, 0.00301209/step, 2.33839 hours remaining, 210.253906 MB of memory in use. ENERGY: 2205200 745.7947 2081.4832 1913.6262 115.1060 -206359.4558 17611.8332 0.0000 0.0000 34239.1927 -149652.4197 299.0194 -183891.6125 -149550.5719 298.8156 -35.2424 -4.5557 556512.4405 7.5017 7.2852 PRESSURE: 2205400 -193.51 -90.6481 -24.867 -90.6471 -244.674 -90.4601 -24.8663 -90.4612 -232.769 GPRESSURE: 2205400 -167.316 -84.4888 -31.1743 -62.2073 -223.897 -38.1049 94.9635 -141.024 -177.858 PRESSAVG: 2205400 -10.5341 8.83659 -8.38211 8.83651 -16.0382 35.3252 -8.38225 35.3252 2.18444 GPRESSAVG: 2205400 -10.341 9.02087 -6.88233 10.7891 -15.8186 36.1274 -8.26033 34.4486 1.76296 TIMING: 2205400 CPU: 6648.58, 0.00305295/step Wall: 6648.58, 0.00305295/step, 2.36994 hours remaining, 210.253906 MB of memory in use. ENERGY: 2205400 790.1573 2058.8619 1909.8144 101.1337 -206092.8705 17591.3802 0.0000 0.0000 34052.7783 -149588.7445 297.3914 -183641.5229 -149491.7621 297.7166 -223.6509 -189.6900 557793.3797 -8.1293 -8.1322 PRESSURE: 2205600 190.62 88.4536 102.911 88.4534 -70.9748 -260.003 102.91 -260.004 141.009 GPRESSURE: 2205600 228.085 110.491 106.304 30.5285 -45.1426 -177.407 74.06 -272.338 186.242 PRESSAVG: 2205600 -0.457756 12.8871 34.1061 12.8871 20.6639 -57.1556 34.1062 -57.1557 -40.3439 GPRESSAVG: 2205600 -1.28386 10.9019 35.3019 13.0598 20.8973 -58.5483 32.319 -56.1549 -40.6585 TIMING: 2205600 CPU: 6649.18, 0.00300374/step Wall: 6649.18, 0.00300374/step, 2.33157 hours remaining, 210.253906 MB of memory in use. ENERGY: 2205600 769.1962 2064.3086 1921.6040 122.1220 -206406.0467 17955.8579 0.0000 0.0000 34052.4739 -149520.4841 297.3887 -183572.9580 -149433.4965 297.8389 86.8849 123.0616 557103.1345 -6.7126 -7.0150 PRESSURE: 2205800 -168.267 30.2497 28.9477 30.2484 -230.412 -200.162 28.9478 -200.162 -333.187 GPRESSURE: 2205800 -157.738 -58.2463 -4.09769 35.5496 -196.49 -227.693 62.5163 -98.7212 -292.102 PRESSAVG: 2205800 3.99891 54.6299 -18.6626 54.6299 -14.824 -63.974 -18.6627 -63.9741 21.3415 GPRESSAVG: 2205800 3.95937 55.2083 -16.9085 53.1117 -15.4518 -64.9081 -18.1638 -63.5656 22.1756 TIMING: 2205800 CPU: 6649.79, 0.00301786/step Wall: 6649.79, 0.00301786/step, 2.34236 hours remaining, 210.253906 MB of memory in use. ENERGY: 2205800 766.2544 2091.1649 1915.5586 115.2720 -205839.2064 17449.2627 0.0000 0.0000 34102.7566 -149398.9371 297.8279 -183501.6937 -149308.6522 299.0323 -243.9553 -215.4433 557579.2016 3.5054 3.5611 PRESSURE: 2206000 -159.441 117.871 -89.7632 117.871 3.22249 -69.0057 -89.7632 -69.0052 -12.473 GPRESSURE: 2206000 -146.887 150.643 -97.493 36.9257 106.325 12.535 -171.138 -83.7438 -10.4264 PRESSAVG: 2206000 -81.3661 14.2742 -75.7034 14.2742 12.5472 3.41251 -75.7033 3.41262 28.6152 GPRESSAVG: 2206000 -79.7784 14.8218 -77.6602 14.1706 11.5806 3.49908 -75.3918 1.2897 28.4218 TIMING: 2206000 CPU: 6650.4, 0.00304638/step Wall: 6650.4, 0.00304638/step, 2.36433 hours remaining, 210.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2206000 758.4875 2062.3126 1929.1338 112.7086 -206177.6853 17675.9379 0.0000 0.0000 34004.3801 -149634.7248 296.9687 -183639.1048 -149544.3386 298.9815 -56.2305 -16.9962 557381.3158 -13.4013 -13.2587 PRESSURE: 2206200 187.909 52.2155 29.1218 52.2157 80.0082 -157.098 29.121 -157.099 303.295 GPRESSURE: 2206200 254.373 105.118 29.2535 45.7344 34.0656 -251.492 4.69196 -169.975 384.914 PRESSAVG: 2206200 0.365885 20.9355 -108.594 20.9356 18.7985 -50.742 -108.594 -50.7419 42.6016 GPRESSAVG: 2206200 -1.46823 23.0681 -108.718 19.7195 19.3011 -49.2821 -109.088 -50.1039 43.7224 TIMING: 2206200 CPU: 6651, 0.00303055/step Wall: 6651, 0.00303055/step, 2.35187 hours remaining, 210.253906 MB of memory in use. ENERGY: 2206200 716.9603 2091.7801 1951.0456 106.4196 -206617.1277 18250.1023 0.0000 0.0000 34098.5632 -149402.2565 297.7912 -183500.8197 -149314.5819 298.0057 190.4040 224.4508 558286.9453 20.5886 20.5184 PRESSURE: 2206400 -116.297 -32.0772 -34.9003 -32.0777 47.0662 34.8729 -34.8995 34.873 -52.695 GPRESSURE: 2206400 -102.369 49.0667 -102.858 -26.6663 111.608 29.4381 -28.1966 122.736 -38.3434 PRESSAVG: 2206400 82.9128 44.1791 -21.5297 44.1792 4.99828 -28.5128 -21.5296 -28.5127 -21.1012 GPRESSAVG: 2206400 83.5973 42.2849 -20.9258 45.7177 5.63449 -29.3524 -22.0476 -28.0573 -22.516 TIMING: 2206400 CPU: 6651.61, 0.00303488/step Wall: 6651.61, 0.00303488/step, 2.35507 hours remaining, 210.253906 MB of memory in use. ENERGY: 2206400 759.7550 2033.3490 1941.8167 118.6359 -206563.9700 17925.3759 0.0000 0.0000 34404.8890 -149380.1485 300.4665 -183785.0375 -149281.7492 299.1895 -40.6420 -9.7014 559617.9669 22.2699 22.2386 PRESSURE: 2206600 202.318 47.7802 -127.276 47.7795 -96.0067 124.98 -127.276 124.98 168.776 GPRESSURE: 2206600 267.602 53.061 -135.036 39.4465 -68.5722 118.156 -167.741 88.7182 161.025 PRESSAVG: 2206600 -2.43487 -10.6899 -25.6822 -10.6899 26.9152 -53.02 -25.6823 -53.02 0.899629 GPRESSAVG: 2206600 -1.96144 -10.9897 -23.9102 -11.9295 27.7611 -52.6666 -26.2747 -54.277 0.536685 TIMING: 2206600 CPU: 6652.21, 0.0030265/step Wall: 6652.21, 0.0030265/step, 2.34839 hours remaining, 210.253906 MB of memory in use. ENERGY: 2206600 712.2118 2062.1715 1912.2034 122.9934 -206207.0104 17964.3911 0.0000 0.0000 34189.3986 -149243.6406 298.5845 -183433.0392 -149145.1274 299.0266 91.6959 120.0183 559038.2639 8.4600 8.7788 PRESSURE: 2206800 -134.849 -118.282 221.294 -118.281 -89.4723 112.717 221.294 112.717 -86.4335 GPRESSURE: 2206800 -147.743 -160.127 219.186 -123.31 -35.6731 72.9138 229.924 104.695 -28.5979 PRESSAVG: 2206800 -39.2055 -17.8222 -25.2234 -17.8222 27.098 -25.0322 -25.2236 -25.0322 -43.5034 GPRESSAVG: 2206800 -40.0699 -16.3157 -27.1598 -17.3872 26.5614 -22.8194 -24.0574 -23.794 -41.8584 TIMING: 2206800 CPU: 6652.82, 0.00301932/step Wall: 6652.82, 0.00301932/step, 2.34266 hours remaining, 210.312500 MB of memory in use. ENERGY: 2206800 713.5347 2096.2128 1936.9097 129.0922 -205873.0256 17701.4988 0.0000 0.0000 34145.4066 -149150.3708 298.2003 -183295.7775 -149053.7811 298.9552 -103.5848 -70.6713 558240.2442 -18.5370 -18.4557 PRESSURE: 2207000 71.4711 71.3987 72.9843 71.399 56.7721 57.8954 72.9857 57.8935 68.345 GPRESSURE: 2207000 99.536 59.2282 1.04614 104.491 58.4905 101.253 100.877 10.6179 140.511 PRESSAVG: 2207000 -63.8393 37.2936 24.3352 37.2937 80.5004 0.0416093 24.3353 0.0416119 23.3561 GPRESSAVG: 2207000 -63.8198 37.0675 22.9313 37.3408 79.9004 -1.35763 25.1193 -0.893358 23.856 TIMING: 2207000 CPU: 6653.42, 0.00300154/step Wall: 6653.42, 0.00300154/step, 2.32869 hours remaining, 210.312500 MB of memory in use. ENERGY: 2207000 728.3796 2123.7425 1923.4316 116.9342 -206400.5950 17903.8718 0.0000 0.0000 34306.5933 -149297.6420 299.6080 -183604.2353 -149196.2972 299.4916 65.5294 99.5125 555917.9047 13.3391 13.3122 PRESSURE: 2207200 -107.344 16.3202 22.2282 16.3204 79.2739 -99.2919 22.228 -99.2912 69.0803 GPRESSURE: 2207200 -85.4669 -51.8017 -43.1162 60.1448 91.1731 -109.608 42.461 -119.433 119.4 PRESSAVG: 2207200 -34.8617 36.3315 -53.7671 36.3315 88.1792 -16.9539 -53.7671 -16.9539 -73.508 GPRESSAVG: 2207200 -32.2596 37.0589 -52.269 35.9282 87.6219 -18.4221 -55.9749 -16.5467 -75.3718 TIMING: 2207200 CPU: 6654.02, 0.00298909/step Wall: 6654.02, 0.00298909/step, 2.31887 hours remaining, 210.312500 MB of memory in use. ENERGY: 2207200 735.6697 2131.4428 1890.7025 106.1929 -206294.3744 17802.7745 0.0000 0.0000 33968.3291 -149659.2630 296.6539 -183627.5921 -149565.7771 298.4919 13.6700 41.7021 556966.8397 -6.7302 -6.6698 PRESSURE: 2207400 299.273 -68.7913 50.3215 -68.7929 -49.3728 -35.6797 50.3228 -35.6799 -253.324 GPRESSURE: 2207400 272.205 -130.213 79.9694 -69.72 -22.0235 -115.723 101.445 38.6372 -157.543 PRESSAVG: 2207400 -35.3477 33.7184 -58.1306 33.7184 35.8912 41.9903 -58.1305 41.9903 19.1059 GPRESSAVG: 2207400 -38.2146 34.835 -58.3268 32.8073 36.1728 42.1051 -56.1503 41.905 21.0261 TIMING: 2207400 CPU: 6654.62, 0.003005/step Wall: 6654.62, 0.003005/step, 2.33105 hours remaining, 210.312500 MB of memory in use. ENERGY: 2207400 765.4927 2084.9619 1919.2364 106.8486 -206381.7181 17801.5255 0.0000 0.0000 34077.7450 -149625.9080 297.6094 -183703.6531 -149527.0541 298.4453 -1.1415 30.8794 557505.1600 6.5498 6.3281 PRESSURE: 2207600 -1.12591 1.73902 92.5341 1.73882 -179.477 -85.5346 92.5342 -85.536 4.89317 GPRESSURE: 2207600 20.289 -122.826 116.944 27.7856 -121.633 -136.778 85.7975 -72.3564 8.83983 PRESSAVG: 2207600 30.5884 2.24746 42.3133 2.2475 1.91523 -47.8383 42.3134 -47.8383 2.42916 GPRESSAVG: 2207600 31.6789 -0.621708 41.8455 3.31454 2.10865 -47.1404 41.7773 -47.8914 0.57585 TIMING: 2207600 CPU: 6655.22, 0.0030249/step Wall: 6655.22, 0.0030249/step, 2.34632 hours remaining, 210.312500 MB of memory in use. ENERGY: 2207600 739.4342 2048.0093 1905.7506 108.7728 -206337.4841 17763.7465 0.0000 0.0000 34170.4069 -149601.3638 298.4187 -183771.7707 -149505.0926 298.5231 -58.5698 -30.8346 556709.7056 11.6442 11.4545 PRESSURE: 2207800 -218.559 -114.669 56.3084 -114.669 20.9761 12.7684 56.3091 12.7675 -30.3673 GPRESSURE: 2207800 -168.124 -32.681 72.7216 -56.8306 31.4382 51.7847 -6.60557 -54.0873 4.40042 PRESSAVG: 2207800 -73.8768 -19.7026 39.0208 -19.7026 29.215 19.0601 39.0208 19.06 43.0027 GPRESSAVG: 2207800 -74.1406 -19.1119 37.365 -18.4686 29.2448 20.3564 39.4275 18.836 43.7373 TIMING: 2207800 CPU: 6655.82, 0.00299914/step Wall: 6655.82, 0.00299914/step, 2.32616 hours remaining, 210.312500 MB of memory in use. ENERGY: 2207800 732.8290 2078.1602 1906.5239 117.6189 -206246.6174 17671.1438 0.0000 0.0000 34031.2009 -149709.1408 297.2029 -183740.3417 -149615.2815 298.3239 -75.9832 -44.0950 556030.1323 -0.5530 -0.3862 PRESSURE: 2208000 130.525 396.633 173.937 396.634 -218.062 13.7038 173.935 13.7049 107.139 GPRESSURE: 2208000 219.494 463.202 176.87 327.499 -205.647 41.7065 93.4689 25.4182 95.884 PRESSAVG: 2208000 -34.5351 29.6175 76.6669 29.6175 40.4263 84.6591 76.6668 84.6591 -12.4093 GPRESSAVG: 2208000 -34.7025 32.1639 78.4969 26.8802 41.802 82.2204 76.7542 86.3107 -13.2393 TIMING: 2208000 CPU: 6656.43, 0.003015/step Wall: 6656.43, 0.003015/step, 2.3383 hours remaining, 210.312500 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: 2208000 696.6362 2069.0974 1936.4493 122.0840 -206386.8434 17670.3272 0.0000 0.0000 34296.3006 -149595.9487 299.5181 -183892.2493 -149496.2591 297.8450 6.5340 36.5769 555317.7666 -2.1727 -2.0466 PRESSURE: 2208200 175.227 75.3762 -24.1319 75.3763 -3.76671 -166.201 -24.1315 -166.201 51.5463 GPRESSURE: 2208200 226.985 26.0757 -13.905 52.3051 -49.7866 -165.205 -17.9023 -257.22 139.618 PRESSAVG: 2208200 45.0948 28.2279 1.58378 28.2279 -57.1959 9.92034 1.58375 9.92044 37.8867 GPRESSAVG: 2208200 45.2378 24.7467 2.76201 32.8387 -58.8185 10.3433 1.06297 9.00839 39.0376 TIMING: 2208200 CPU: 6657.04, 0.00305062/step Wall: 6657.04, 0.00305062/step, 2.36575 hours remaining, 210.355469 MB of memory in use. ENERGY: 2208200 750.2258 2029.5462 1926.8326 125.7094 -206595.8876 18006.9112 0.0000 0.0000 34196.8032 -149559.8591 298.6492 -183756.6623 -149454.7611 298.4423 74.3355 105.6054 556910.0048 8.5952 8.4856 LDB: ============= START OF LOAD BALANCING ============== 6660.55 LDB: ============== END OF LOAD BALANCING =============== 6660.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6660.56 LDB: ============= START OF LOAD BALANCING ============== 6660.86 LDB: Largest compute 4772 load 0.030029 is 25.4% of average load 0.118076 LDB: Average compute 0.001738 is 1.5% of average load 0.118076 LDB: TIME 6660.86 LOAD: AVG 0.118076 MAX 0.206757 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.734 MB LDB: TIME 6660.86 LOAD: AVG 0.118076 MAX 0.206757 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.734 MB LDB: TIME 6660.86 LOAD: AVG 0.118076 MAX 0.206757 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.734 MB LDB: ============== END OF LOAD BALANCING =============== 6660.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6660.87 PRESSURE: 2208400 64.475 -105.445 113.487 -105.444 125.397 -79.2545 113.487 -79.2544 -218.088 GPRESSURE: 2208400 77.5224 -55.1605 99.8935 -64.5561 157.937 -67.7466 90.2748 -114.335 -168.884 PRESSAVG: 2208400 106.079 -16.395 -11.209 -16.3949 -41.8815 -29.2071 -11.2091 -29.207 -55.7468 GPRESSAVG: 2208400 106.182 -16.4846 -11.5822 -17.6986 -41.7642 -28.3513 -11.2667 -30.396 -55.3056 TIMING: 2208400 CPU: 6657.65, 0.00307012/step Wall: 6657.65, 0.00307012/step, 2.38071 hours remaining, 209.769531 MB of memory in use. ENERGY: 2208400 722.3205 2113.2265 1894.4981 121.5291 -206243.3987 17611.0227 0.0000 0.0000 34272.3272 -149508.4745 299.3088 -183780.8017 -149412.1636 298.9126 -9.4053 22.1918 557023.5945 2.8169 3.0374 PRESSURE: 2208600 203.073 15.3834 -67.0364 15.3837 370.986 -87.9015 -67.0368 -87.9011 204.835 GPRESSURE: 2208600 244.07 62.539 -29.4879 84.0773 359.605 -55.653 -41.4324 -120.323 258.387 PRESSAVG: 2208600 63.0879 8.33006 6.4412 8.33003 -59.5237 -35.321 6.4412 -35.3211 -31.9137 GPRESSAVG: 2208600 63.3505 9.11506 5.55136 9.00138 -58.8318 -37.8991 6.9968 -33.8305 -32.3467 TIMING: 2208600 CPU: 6658.26, 0.00305745/step Wall: 6658.26, 0.00305745/step, 2.37071 hours remaining, 209.769531 MB of memory in use. ENERGY: 2208600 716.7900 2115.1349 1924.3740 106.7607 -206687.8812 18195.1856 0.0000 0.0000 34108.1401 -149521.4959 297.8749 -183629.6360 -149427.7717 298.4098 259.6314 287.3538 555829.2543 -9.4499 -9.2760 PRESSURE: 2208800 52.7682 -165.682 -19.1751 -165.683 -114.171 93.619 -19.1744 93.6186 14.416 GPRESSURE: 2208800 131.38 -125.173 6.90261 -217.421 -81.7818 115.728 -93.2415 145.85 11.1403 PRESSAVG: 2208800 27.6938 6.11444 22.6589 6.11432 -17.1078 17.6878 22.6588 17.6879 -20.171 GPRESSAVG: 2208800 27.1894 5.5677 24.5165 5.52131 -16.4963 20.6699 20.3202 16.7255 -20.3416 TIMING: 2208800 CPU: 6658.87, 0.00303437/step Wall: 6658.87, 0.00303437/step, 2.35265 hours remaining, 209.769531 MB of memory in use. ENERGY: 2208800 756.9367 2145.9474 1910.2057 106.3906 -206172.2938 17727.9657 0.0000 0.0000 34099.5797 -149425.2680 297.8001 -183524.8477 -149333.2409 298.3818 -15.6624 20.2462 557351.3844 -3.1950 -3.2162 PRESSURE: 2209000 10.7635 76.9356 -87.9456 76.9356 -163.795 -139.152 -87.9468 -139.151 249.306 GPRESSURE: 2209000 79.6053 82.4919 -14.9226 70.5302 -149.05 -201.508 -93.8148 -153.279 273.796 PRESSAVG: 2209000 -11.614 -31.4463 -0.195203 -31.4463 -6.887 12.4623 -0.195261 12.4623 9.87755 GPRESSAVG: 2209000 -10.0074 -29.8888 -2.58722 -30.519 -8.84761 11.2045 0.208765 13.3546 10.0232 TIMING: 2209000 CPU: 6659.47, 0.00302888/step Wall: 6659.47, 0.00302888/step, 2.34823 hours remaining, 209.769531 MB of memory in use. ENERGY: 2209000 739.3550 2096.8264 1966.2858 118.6505 -206404.0178 17853.6066 0.0000 0.0000 34145.5692 -149483.7243 298.2017 -183629.2934 -149385.9327 298.7362 32.0914 68.1169 556509.4267 -2.8745 -2.9439 PRESSURE: 2209200 226.429 -174.55 -9.62246 -174.55 264.617 -55.8573 -9.62325 -55.8565 205.462 GPRESSURE: 2209200 217.743 -191.581 42.6714 -65.8732 327.363 -115.074 -30.9329 17.4466 257.024 PRESSAVG: 2209200 35.0962 -18.9099 -54.9582 -18.9099 -1.33401 49.519 -54.9582 49.519 -14.1388 GPRESSAVG: 2209200 33.2226 -19.0682 -53.8072 -20.281 0.803029 48.8784 -53.5075 49.1579 -14.1316 TIMING: 2209200 CPU: 6660.07, 0.00300235/step Wall: 6660.07, 0.00300235/step, 2.32749 hours remaining, 209.769531 MB of memory in use. ENERGY: 2209200 775.5663 2093.9092 1916.8776 103.9831 -206728.2648 18248.3073 0.0000 0.0000 34202.3601 -149387.2611 298.6977 -183589.6212 -149286.0320 298.9974 232.1694 267.3767 556449.5612 6.5411 6.6314 PRESSURE: 2209400 260.559 -154.5 -2.65565 -154.499 224.187 -22.2189 -2.65527 -22.2185 380.643 GPRESSURE: 2209400 248.16 -103.221 -18.2668 -209.59 277.2 -36.3992 14.9397 -18.3575 426.129 PRESSAVG: 2209400 19.0069 -8.37792 -19.2337 -8.37774 -40.1684 55.5264 -19.2337 55.5265 38.9208 GPRESSAVG: 2209400 19.2296 -8.75326 -18.8471 -8.22347 -41.2112 55.4195 -19.7918 54.6836 38.8251 TIMING: 2209400 CPU: 6660.68, 0.00300883/step Wall: 6660.68, 0.00300883/step, 2.33235 hours remaining, 209.769531 MB of memory in use. ENERGY: 2209400 727.7789 2139.3434 1939.5630 102.6294 -206587.8318 18098.7695 0.0000 0.0000 34207.8199 -149371.9276 298.7454 -183579.7475 -149277.7938 298.7657 288.4632 317.1631 555238.8640 5.9198 5.6145 PRESSURE: 2209600 -22.8882 -134.705 7.10224 -134.705 -335.589 -42.8468 7.10307 -42.8456 -6.78059 GPRESSURE: 2209600 -8.57784 -149.464 -4.4378 -99.6659 -275.933 1.03752 -12.0174 -75.2081 7.22948 PRESSAVG: 2209600 22.4097 -42.2578 12.822 -42.2578 -45.6623 -2.14426 12.822 -2.14422 65.1601 GPRESSAVG: 2209600 22.7094 -43.7646 11.8138 -41.6654 -46.5194 -0.409266 12.125 -1.80768 65.601 TIMING: 2209600 CPU: 6661.28, 0.00302454/step Wall: 6661.28, 0.00302454/step, 2.34436 hours remaining, 209.769531 MB of memory in use. ENERGY: 2209600 708.6487 2122.9797 1934.1522 119.2334 -206161.3988 17621.6172 0.0000 0.0000 34073.0109 -149581.7567 297.5681 -183654.7676 -149487.1500 298.4902 -121.7525 -92.4270 557538.5438 13.9692 13.9303 PRESSURE: 2209800 317.995 -118.28 -15.6326 -118.28 -156.204 -105.806 -15.6318 -105.807 -88.4517 GPRESSURE: 2209800 304.143 16.7149 2.84175 -112.256 -88.865 -112.49 3.16448 -78.2271 -54.9365 PRESSAVG: 2209800 75.8852 -24.8066 34.4132 -24.8067 19.2241 15.3675 34.4131 15.3675 -120.139 GPRESSAVG: 2209800 75.1783 -23.9269 34.7525 -26.5327 20.1009 13.6923 36.8832 16.3817 -120.565 TIMING: 2209800 CPU: 6661.89, 0.00304618/step Wall: 6661.89, 0.00304618/step, 2.36096 hours remaining, 209.769531 MB of memory in use. ENERGY: 2209800 749.1849 2138.7539 1965.9663 112.1752 -206614.4172 17848.3340 0.0000 0.0000 34342.2858 -149457.7171 299.9197 -183800.0029 -149357.7672 298.6011 24.4464 53.4472 557441.0579 -8.3432 -8.4286 PRESSURE: 2210000 -19.0845 -164.719 -44.1566 -164.72 -180.751 115.46 -44.1561 115.46 102.998 GPRESSURE: 2210000 4.69426 -150.349 -36.3964 -154.471 -182.705 146.04 -20.3276 123.47 191.339 PRESSAVG: 2210000 65.1638 -5.80118 -0.459695 -5.80122 -43.04 27.4029 -0.459612 27.4029 -27.626 GPRESSAVG: 2210000 66.5631 -5.18525 -2.06061 -5.95389 -44.4548 28.5015 -1.76956 27.1967 -27.4861 TIMING: 2210000 CPU: 6662.49, 0.00301967/step Wall: 6662.49, 0.00301967/step, 2.34025 hours remaining, 209.769531 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: 2210000 766.7102 2096.2775 1926.5520 118.4551 -206485.6267 17930.1331 0.0000 0.0000 34199.0684 -149448.4303 298.6690 -183647.4987 -149350.6279 299.0639 -32.2792 4.4429 558631.3026 -1.8341 -1.7926 PRESSURE: 2210200 -81.0799 18.9513 -36.5205 18.9504 -8.31725 51.1364 -36.5222 51.1375 -5.58007 GPRESSURE: 2210200 -47.8315 63.373 -52.1376 1.97602 -14.1185 103.766 -55.4302 7.59224 57.0761 PRESSAVG: 2210200 -17.5922 -47.2565 28.3903 -47.2564 0.134942 -29.8866 28.3903 -29.8866 -8.43088 GPRESSAVG: 2210200 -18.6674 -46.6432 29.6789 -48.3875 1.97237 -29.4269 27.9202 -29.4357 -9.0556 TIMING: 2210200 CPU: 6663.1, 0.00303101/step Wall: 6663.1, 0.00303101/step, 2.34887 hours remaining, 209.769531 MB of memory in use. ENERGY: 2210200 750.9030 2166.9191 1929.0697 101.9271 -206657.6222 17905.1361 0.0000 0.0000 34330.9568 -149472.7104 299.8208 -183803.6672 -149373.3504 298.5259 -31.6591 -1.6246 557499.8984 -8.6294 -8.5835 PRESSURE: 2210400 -47.0738 -84.3096 -44.276 -84.3098 63.4028 -210.057 -44.2761 -210.055 49.8795 GPRESSURE: 2210400 -2.04607 -190.673 -5.9579 17.0506 77.9297 -269.597 -39.723 -132.224 80.2218 PRESSAVG: 2210400 6.44305 34.0283 32.243 34.0282 -2.86464 -21.7647 32.243 -21.7646 4.13371 GPRESSAVG: 2210400 6.18265 32.5877 32.348 36.6714 -3.49228 -21.4565 34.1211 -22.8733 4.76343 TIMING: 2210400 CPU: 6663.71, 0.00303584/step Wall: 6663.71, 0.00303584/step, 2.35244 hours remaining, 209.769531 MB of memory in use. ENERGY: 2210400 716.7784 2124.2104 1941.2034 116.3164 -206505.5299 17920.4118 0.0000 0.0000 34307.0894 -149379.5202 299.6123 -183686.6096 -149279.8693 298.1783 22.0695 52.0352 558454.9635 2.5707 2.4846 PRESSURE: 2210600 139.825 51.1526 -106.911 51.1522 -95.6075 19.3948 -106.911 19.3941 147.588 GPRESSURE: 2210600 163.177 28.388 -109.142 77.752 -87.8876 90.1917 -88.1875 -50.0454 213.627 PRESSAVG: 2210600 4.19938 12.4655 5.31165 12.4654 17.5227 -44.9759 5.31159 -44.9759 -25.7718 GPRESSAVG: 2210600 3.79871 14.7439 6.58415 11.4153 17.4167 -44.4594 3.61791 -45.8854 -25.2962 TIMING: 2210600 CPU: 6664.32, 0.00304298/step Wall: 6664.32, 0.00304298/step, 2.3578 hours remaining, 209.839844 MB of memory in use. ENERGY: 2210600 755.6241 2077.3374 1932.9009 123.2057 -206446.1100 18069.3017 0.0000 0.0000 34056.5303 -149431.2099 297.4241 -183487.7401 -149330.6619 298.7585 63.9351 96.3057 558573.3144 -1.3499 -1.3603 PRESSURE: 2210800 320.623 104.311 -1.05703 104.309 306.459 53.7828 -1.0567 53.7808 83.8495 GPRESSURE: 2210800 366.264 54.2494 30.5889 33.3032 326.083 8.62845 -62.9913 90.0592 116.575 PRESSAVG: 2210800 1.91802 11.0705 -44.9551 11.0705 19.0497 58.2306 -44.955 58.2306 -49.4776 GPRESSAVG: 2210800 2.66747 9.98182 -47.0378 10.1902 17.538 57.9309 -45.4108 58.9183 -48.6826 TIMING: 2210800 CPU: 6664.92, 0.00304494/step Wall: 6664.92, 0.00304494/step, 2.35915 hours remaining, 209.839844 MB of memory in use. ENERGY: 2210800 718.9205 2065.4961 1923.7011 110.2756 -206881.5029 18397.6546 0.0000 0.0000 34237.3887 -149428.0663 299.0036 -183665.4550 -149331.4941 298.2602 236.9770 269.6404 558172.4002 -9.5033 -9.4924 PRESSURE: 2211000 -322.001 -45.1595 -8.77226 -45.1611 -114.124 -46.425 -8.77041 -46.4248 -73.6717 GPRESSURE: 2211000 -308.077 4.91305 -16.9736 -40.1084 -15.9436 0.616664 -43.6856 -72.785 -92.7431 PRESSAVG: 2211000 35.0062 24.7798 -42.1304 24.7799 27.899 -9.42801 -42.1303 -9.42799 -77.5867 GPRESSAVG: 2211000 34.5107 25.7858 -40.7923 24.6204 29.3581 -10.3516 -41.6864 -9.72117 -78.8047 TIMING: 2211000 CPU: 6665.54, 0.00306105/step Wall: 6665.54, 0.00306105/step, 2.37146 hours remaining, 209.839844 MB of memory in use. ENERGY: 2211000 733.9449 2095.1543 1925.9074 120.3687 -206222.3751 17637.2227 0.0000 0.0000 34196.5815 -149513.1956 298.6473 -183709.7771 -149409.7633 298.4126 -169.9322 -138.9212 558463.3927 -4.8938 -4.9786 PRESSURE: 2211200 20.3164 -101.651 -92.2473 -101.65 -51.0867 -42.8433 -92.2476 -42.8449 37.9005 GPRESSURE: 2211200 94.2205 17.0546 -38.2913 -128.327 -24.0284 -82.4584 -52.4487 26.7615 39.2938 PRESSAVG: 2211200 -24.3861 -40.0492 4.04613 -40.0491 -32.6391 42.4673 4.04614 42.4672 41.5153 GPRESSAVG: 2211200 -24.161 -41.5046 3.36007 -39.0861 -33.5645 42.5201 5.01799 41.8174 41.8548 TIMING: 2211200 CPU: 6666.14, 0.00301573/step Wall: 6666.14, 0.00301573/step, 2.33618 hours remaining, 209.984375 MB of memory in use. ENERGY: 2211200 733.4067 2054.0138 1904.8291 116.6137 -206404.0176 17958.8221 0.0000 0.0000 34213.5756 -149422.7565 298.7957 -183636.3321 -149327.8971 298.2122 2.3767 36.4953 558529.4900 -5.1700 -5.2902 PRESSURE: 2211400 46.065 -96.7204 -38.159 -96.7198 -191.74 107.209 -38.1583 107.21 -93.9462 GPRESSURE: 2211400 49.1415 -114.984 -46.1883 -91.2276 -147.491 110.992 13.7077 109.162 -49.9964 PRESSAVG: 2211400 91.4565 -57.9829 -36.241 -57.9829 -52.0867 -19.4429 -36.241 -19.4431 -49.4808 GPRESSAVG: 2211400 91.5048 -57.7847 -36.7951 -58.3569 -51.8747 -19.1068 -35.6366 -17.8159 -49.5696 TIMING: 2211400 CPU: 6666.74, 0.00301135/step Wall: 6666.74, 0.00301135/step, 2.33263 hours remaining, 209.984375 MB of memory in use. ENERGY: 2211400 720.2997 2087.8366 1895.6724 107.1918 -206331.3059 17704.6931 0.0000 0.0000 34195.6857 -149619.9265 298.6394 -183815.6123 -149525.8695 297.9755 -79.8737 -49.4485 558827.0397 -3.3703 -3.3132 PRESSURE: 2211600 20.214 -248.894 -181.02 -248.893 54.6126 -50.1086 -181.019 -50.108 -46.9403 GPRESSURE: 2211600 -55.5513 -204.413 -221.319 -315.566 88.4607 28.7043 -176.416 -115.574 83.9005 PRESSAVG: 2211600 0.093434 -75.8652 -19.5799 -75.8652 -18.2758 0.38128 -19.5799 0.381359 3.17207 GPRESSAVG: 2211600 1.03865 -75.5246 -19.7402 -75.7751 -19.4296 1.12901 -21.2191 -0.113215 2.76205 TIMING: 2211600 CPU: 6667.34, 0.00301126/step Wall: 6667.34, 0.00301126/step, 2.33239 hours remaining, 209.984375 MB of memory in use. ENERGY: 2211600 758.0665 2050.6131 1939.7200 123.4252 -206523.5435 17978.5739 0.0000 0.0000 34285.8580 -149387.2867 299.4269 -183673.1448 -149304.2190 298.6322 9.2954 38.9366 556931.4513 -5.0034 -5.2096 PRESSURE: 2211800 -216.683 -41.0429 -40.3634 -41.0435 47.4561 -129.437 -40.3644 -129.437 90.7483 GPRESSURE: 2211800 -147.163 -53.0119 -75.0325 30.2138 102.912 -66.4796 46.4862 -199.951 82.8718 PRESSAVG: 2211800 -7.26512 -30.2941 17.8551 -30.2941 -13.0065 19.4504 17.8552 19.4504 -18.6564 GPRESSAVG: 2211800 -8.31737 -30.6868 16.7945 -30.146 -12.4771 17.7915 18.6672 19.4686 -17.7032 TIMING: 2211800 CPU: 6667.95, 0.00302592/step Wall: 6667.95, 0.00302592/step, 2.34357 hours remaining, 209.984375 MB of memory in use. ENERGY: 2211800 741.0353 2126.6698 1897.4376 101.8603 -206069.8285 17908.0180 0.0000 0.0000 34070.2163 -149224.5912 297.5437 -183294.8076 -149135.9987 298.5531 -26.1596 12.8738 559505.7730 -12.9760 -12.8326 PRESSURE: 2212000 209.012 36.7141 -111.428 36.7143 149.341 177.311 -111.429 177.31 32.134 GPRESSURE: 2212000 250.631 88.8743 -161.074 40.0735 149.318 214.878 -84.6938 123.151 74.4384 PRESSAVG: 2212000 -2.93032 -9.89695 -34.6572 -9.89686 -12.0223 -11.6818 -34.6573 -11.6819 7.56615 GPRESSAVG: 2212000 -3.99548 -8.90455 -33.3175 -11.1734 -11.5819 -11.6999 -34.721 -11.4932 8.0705 TIMING: 2212000 CPU: 6668.55, 0.00301283/step Wall: 6668.55, 0.00301283/step, 2.33327 hours remaining, 209.984375 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: 2212000 761.8357 2083.9425 1923.5671 92.8727 -206575.6857 18085.7128 0.0000 0.0000 34333.8532 -149293.9018 299.8461 -183627.7550 -149198.7306 298.8329 130.1624 158.1291 557805.1849 -2.4621 -2.5023 PRESSURE: 2212200 -69.3145 -32.6844 -62.2944 -32.6837 -109.34 -42.7398 -62.2957 -42.7377 -176.339 GPRESSURE: 2212200 -74.2166 -32.3127 -39.0263 -51.1733 1.75409 -110.082 -21.3121 -7.39913 -181.493 PRESSAVG: 2212200 -14.2145 -33.8993 -23.9541 -33.8993 -12.4046 27.349 -23.9541 27.3489 -14.7211 GPRESSAVG: 2212200 -13.3757 -36.5144 -24.1351 -33.3718 -12.2254 27.3693 -23.7851 28.6249 -15.7391 TIMING: 2212200 CPU: 6669.16, 0.00301502/step Wall: 6669.16, 0.00301502/step, 2.3348 hours remaining, 209.984375 MB of memory in use. ENERGY: 2212200 739.1595 2113.1508 1915.8117 110.5340 -205922.5051 17675.3971 0.0000 0.0000 34118.9672 -149249.4848 297.9694 -183368.4519 -149146.4904 299.3932 -118.3312 -84.6519 559181.2133 -13.7801 -13.7801 LDB: ============= START OF LOAD BALANCING ============== 6672.67 LDB: ============== END OF LOAD BALANCING =============== 6672.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6672.67 LDB: ============= START OF LOAD BALANCING ============== 6672.98 LDB: Largest compute 4772 load 0.029565 is 25.0% of average load 0.118047 LDB: Average compute 0.001741 is 1.5% of average load 0.118047 LDB: TIME 6672.98 LOAD: AVG 0.118047 MAX 0.204443 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 6672.98 LOAD: AVG 0.118047 MAX 0.204443 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: TIME 6672.98 LOAD: AVG 0.118047 MAX 0.204443 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6672.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6672.98 PRESSURE: 2212400 -80.5363 -115.394 44.5188 -115.393 252.195 113.126 44.5199 113.126 6.17409 GPRESSURE: 2212400 -70.259 31.9283 48.7989 -139.286 257.101 149.417 8.26345 99.7536 84.1996 PRESSAVG: 2212400 53.3705 -77.0039 -15.3779 -77.0039 5.585 -9.63831 -15.3779 -9.63829 -56.788 GPRESSAVG: 2212400 52.8877 -75.4126 -15.8154 -76.2787 6.28611 -8.38402 -16.181 -10.1646 -56.6641 TIMING: 2212400 CPU: 6669.77, 0.00306375/step Wall: 6669.77, 0.00306375/step, 2.37236 hours remaining, 209.199219 MB of memory in use. ENERGY: 2212400 732.6616 2043.9087 1936.1605 101.9297 -206297.2410 18128.6766 0.0000 0.0000 34082.2666 -149271.6374 297.6489 -183353.9040 -149169.7260 299.0754 59.2775 90.3473 559227.4224 0.7225 0.8366 PRESSURE: 2212600 -166.782 -62.0764 -67.735 -62.0775 109.738 -58.5313 -67.7335 -58.531 -12.286 GPRESSURE: 2212600 -116.313 -77.9422 -74.7065 -52.1615 124.794 -35.3622 -78.9836 -57.7311 15.1408 PRESSAVG: 2212600 26.4143 16.0367 14.2254 16.0368 28.1052 -32.1063 14.2255 -32.1064 -36.3961 GPRESSAVG: 2212600 27.1147 16.1042 17.01 16.76 26.6818 -33.2588 13.6977 -31.9795 -36.1648 TIMING: 2212600 CPU: 6670.37, 0.00300025/step Wall: 6670.37, 0.00300025/step, 2.32303 hours remaining, 209.269531 MB of memory in use. ENERGY: 2212600 745.5848 2057.8367 1884.7892 126.7163 -206223.5812 17734.0058 0.0000 0.0000 34401.8146 -149272.8339 300.4396 -183674.6485 -149173.9725 299.0416 -23.1101 7.8737 558060.8466 6.0411 5.8772 PRESSURE: 2212800 94.4053 64.021 -156.985 64.0205 191.96 75.2133 -156.985 75.2139 -36.8651 GPRESSURE: 2212800 150.217 16.6731 -135.575 72.8114 249.546 144.774 -170.794 0.401343 -60.6652 PRESSAVG: 2212800 12.4618 41.0633 -57.3828 41.0633 -44.9488 -36.8007 -57.3828 -36.8007 28.0736 GPRESSAVG: 2212800 12.3293 41.6296 -58.0544 40.0792 -43.371 -37.3258 -56.4791 -37.7314 27.1007 TIMING: 2212800 CPU: 6670.97, 0.0030246/step Wall: 6670.97, 0.0030246/step, 2.34172 hours remaining, 209.269531 MB of memory in use. ENERGY: 2212800 704.3652 2048.2412 1916.5561 104.9184 -206356.2932 18135.0433 0.0000 0.0000 34201.1088 -149246.0603 298.6868 -183447.1690 -149146.2108 298.6878 83.1668 113.0326 558049.8111 -1.4711 -1.3137 PRESSURE: 2213000 -18.277 -63.7927 46.6805 -63.7926 64.3009 -24.8311 46.6817 -24.831 156.134 GPRESSURE: 2213000 -27.7882 -177.43 60.5878 -60.874 107.93 -12.1447 -34.9175 -46.9444 222.691 PRESSAVG: 2213000 21.2429 31.202 -12.6514 31.202 64.3987 -22.588 -12.6515 -22.5881 -52.4127 GPRESSAVG: 2213000 21.5313 30.1497 -13.2509 30.9338 63.2271 -20.8838 -11.1507 -22.0205 -51.2454 TIMING: 2213000 CPU: 6671.58, 0.00301999/step Wall: 6671.58, 0.00301999/step, 2.33798 hours remaining, 209.269531 MB of memory in use. ENERGY: 2213000 752.1366 2135.5655 1897.0453 108.8555 -206046.6128 17882.3479 0.0000 0.0000 34148.5353 -149122.1267 298.2277 -183270.6621 -149033.1787 298.8365 67.3859 100.9441 558185.8803 11.0763 11.1710 PRESSURE: 2213200 -160.704 -122.493 -39.0997 -122.493 122.543 91.6017 -39.0989 91.6016 215.804 GPRESSURE: 2213200 -34.2521 -71.2817 -19.6523 -182.339 73.1724 58.2342 -62.2347 112.595 223.742 PRESSAVG: 2213200 2.88965 -33.484 -15.175 -33.4841 13.8545 36.5496 -15.175 36.5496 -27.1465 GPRESSAVG: 2213200 3.57855 -32.8558 -15.8324 -34.153 13.0744 35.3053 -17.2514 36.38 -27.309 TIMING: 2213200 CPU: 6672.18, 0.00299423/step Wall: 6672.18, 0.00299423/step, 2.31787 hours remaining, 209.269531 MB of memory in use. ENERGY: 2213200 766.8841 2057.7369 1921.5901 108.7610 -206382.3592 18071.6804 0.0000 0.0000 34541.1359 -148914.5708 301.6563 -183455.7067 -148818.6680 299.2771 59.2145 87.5540 558005.4617 -3.4674 -3.5520 PRESSURE: 2213400 152.924 -95.0836 -144.509 -95.0844 130.888 -128.103 -144.509 -128.102 -89.263 GPRESSURE: 2213400 238.536 -171.14 -108.649 -84.2755 154.037 -50.5162 -78.9143 -111.236 -94.5384 PRESSAVG: 2213400 54.8649 -10.158 -24.7164 -10.158 -8.81815 16.6202 -24.7163 16.6203 -1.7791 GPRESSAVG: 2213400 53.7669 -8.90088 -23.452 -8.48848 -7.39542 19.1955 -23.2117 14.4346 -1.81015 TIMING: 2213400 CPU: 6672.78, 0.00300326/step Wall: 6672.78, 0.00300326/step, 2.32469 hours remaining, 209.269531 MB of memory in use. ENERGY: 2213400 775.0701 2076.2283 1915.8651 105.9373 -206232.4143 17999.2504 0.0000 0.0000 34438.0855 -148921.9776 300.7564 -183360.0630 -148824.4868 300.4479 64.8499 99.3450 557215.0265 14.7559 14.8538 PRESSURE: 2213600 -65.324 -27.8845 116.722 -27.8863 -55.9956 88.7722 116.722 88.7714 3.05719 GPRESSURE: 2213600 -11.8938 -34.7135 45.4774 -45.8242 -61.2108 53.0561 76.3209 94.26 59.1747 PRESSAVG: 2213600 40.9887 30.2673 -2.08227 30.2672 -73.0052 -3.59133 -2.08228 -3.59141 25.7882 GPRESSAVG: 2213600 41.7092 32.7401 -3.35878 26.744 -74.0937 -5.92362 -3.38171 -0.272979 25.9048 TIMING: 2213600 CPU: 6673.38, 0.0030165/step Wall: 6673.38, 0.0030165/step, 2.33477 hours remaining, 209.269531 MB of memory in use. ENERGY: 2213600 742.0836 2054.7138 1899.7851 115.8805 -205920.9343 17787.1711 0.0000 0.0000 34223.7792 -149097.5211 298.8848 -183321.3003 -149004.5391 300.1428 -39.4208 -4.6433 558743.8011 -2.0761 -2.1599 PRESSURE: 2213800 -221.23 44.0767 -50.4429 44.0776 52.5881 -168.423 -50.4444 -168.422 -105.198 GPRESSURE: 2213800 -208.73 68.5211 -32.812 74.8416 97.25 -173.779 -27.7641 -180.056 -66.8037 PRESSAVG: 2213800 24.9209 -10.4808 22.6095 -10.4808 -82.3441 -34.2097 22.6096 -34.2097 34.2063 GPRESSAVG: 2213800 25.3832 -12.8405 23.0682 -6.654 -82.6538 -30.1669 22.7631 -38.0128 34.0504 TIMING: 2213800 CPU: 6673.98, 0.00302322/step Wall: 6673.98, 0.00302322/step, 2.33981 hours remaining, 209.269531 MB of memory in use. ENERGY: 2213800 763.6074 2105.3021 1925.0031 114.2854 -205833.2439 17724.5728 0.0000 0.0000 34258.5779 -148941.8953 299.1887 -183200.4732 -148847.3485 299.6211 -91.2797 -59.4279 560497.6803 -7.7390 -7.7401 PRESSURE: 2214000 59.5879 254.202 -130.388 254.202 -69.2258 16.7492 -130.388 16.75 -0.0852744 GPRESSURE: 2214000 67.2945 299.659 -163.033 108.736 -26.2339 62.5699 -229.308 -47.4165 43.9572 PRESSAVG: 2214000 35.1886 36.8131 -4.50853 36.8132 24.2377 18.6855 -4.5086 18.6856 -70.6672 GPRESSAVG: 2214000 34.8572 37.2789 -4.02095 34.0884 25.0483 16.1245 -3.64351 20.5807 -71.1341 TIMING: 2214000 CPU: 6674.6, 0.00306731/step Wall: 6674.6, 0.00306731/step, 2.37376 hours remaining, 209.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2214000 724.0814 2135.6396 1890.8275 114.8005 -205955.7422 17673.6887 0.0000 0.0000 34154.2293 -149262.4752 298.2774 -183416.7044 -149169.3584 299.2200 -3.2411 28.3393 558362.4704 -3.7470 -3.7429 PRESSURE: 2214200 -297.85 -35.5618 -75.089 -35.5631 -11.7911 -7.95222 -75.089 -7.95332 -14.7688 GPRESSURE: 2214200 -239.958 -185.66 -54.2777 -13.4155 13.8187 -78.346 -36.3804 23.8082 2.49985 PRESSAVG: 2214200 -4.31374 -13.1987 -27.1341 -13.1986 -22.5401 5.88029 -27.1341 5.88028 -16.8204 GPRESSAVG: 2214200 -4.50332 -14.9164 -26.2347 -11.2385 -21.8747 5.64872 -28.3609 5.85214 -17.358 TIMING: 2214200 CPU: 6675.2, 0.00302687/step Wall: 6675.2, 0.00302687/step, 2.34229 hours remaining, 209.269531 MB of memory in use. ENERGY: 2214200 766.6743 2044.7052 1900.6140 115.8176 -206044.5145 17683.0217 0.0000 0.0000 34288.0455 -149245.6361 299.4460 -183533.6816 -149155.9619 298.7507 -108.1366 -74.5465 559040.4857 -14.5581 -14.5786 PRESSURE: 2214400 167.344 -89.8556 9.9683 -89.8567 -147.1 -54.9085 9.9678 -54.9088 -29.4379 GPRESSURE: 2214400 172.89 -117.894 -27.9252 -14.3316 -143.615 -64.9815 61.3603 24.9599 49.2313 PRESSAVG: 2214400 -43.6951 1.3342 -29.1682 1.33424 -20.3792 63.0676 -29.1683 63.0675 87.2032 GPRESSAVG: 2214400 -44.0253 2.21881 -30.0243 1.3953 -20.7295 61.4991 -28.0356 63.6371 87.6006 TIMING: 2214400 CPU: 6675.81, 0.00302499/step Wall: 6675.81, 0.00302499/step, 2.34067 hours remaining, 209.269531 MB of memory in use. ENERGY: 2214400 733.1475 2109.1770 1889.5081 112.6951 -206142.6353 17721.4673 0.0000 0.0000 34371.0671 -149205.5734 300.1711 -183576.6405 -149112.2605 298.7954 -3.0646 26.1690 557479.2107 7.7096 7.6153 PRESSURE: 2214600 125.693 42.822 -39.2568 42.822 320.565 147.352 -39.2554 147.351 -27.3803 GPRESSURE: 2214600 205.643 50.4445 -10.5194 33.2775 328.498 133.647 6.42894 136.616 -21.8371 PRESSAVG: 2214600 46.7174 -10.7019 6.78252 -10.7019 -25.3632 -2.84809 6.78252 -2.84802 -43.6534 GPRESSAVG: 2214600 47.1975 -11.0809 7.87332 -10.5822 -25.3763 -0.543444 6.45723 -3.81632 -44.6537 TIMING: 2214600 CPU: 6676.41, 0.00301497/step Wall: 6676.41, 0.00301497/step, 2.33275 hours remaining, 209.269531 MB of memory in use. ENERGY: 2214600 766.4841 2070.0363 1913.1372 106.1375 -206469.1530 18147.4984 0.0000 0.0000 34199.9826 -149265.8771 298.6770 -183465.8597 -149174.1000 299.0426 139.6259 170.7681 558334.2633 -7.4331 -7.6109 PRESSURE: 2214800 -81.5162 -34.2896 -112.287 -34.2898 6.01015 119.211 -112.288 119.211 146.238 GPRESSURE: 2214800 -28.979 7.47683 -50.2502 -47.7667 12.3444 132.733 -86.7053 102.592 184.915 PRESSAVG: 2214800 -1.32855 39.4602 -17.9818 39.4603 17.671 7.65901 -17.982 7.65896 -8.15339 GPRESSAVG: 2214800 -2.14711 41.0406 -17.9191 40.4187 18.0595 5.12754 -15.788 9.14622 -7.35383 TIMING: 2214800 CPU: 6677.01, 0.00301036/step Wall: 6677.01, 0.00301036/step, 2.32902 hours remaining, 209.269531 MB of memory in use. ENERGY: 2214800 739.4299 2101.5073 1918.9292 103.8958 -206455.5094 17753.3662 0.0000 0.0000 34479.9064 -149358.4747 301.1216 -183838.3811 -149257.2461 299.1893 23.5774 56.0936 557470.5440 2.7297 2.8528 PRESSURE: 2215000 -46.9055 -124.019 41.791 -124.021 15.2785 -63.7722 41.7914 -63.771 -102.991 GPRESSURE: 2215000 1.52824 -111.638 27.1094 -141.531 46.1872 -118.162 -19.8046 -8.62199 -90.3461 PRESSAVG: 2215000 5.59883 -35.3324 -37.8047 -35.3323 28.9359 -7.87217 -37.8048 -7.87202 17.2385 GPRESSAVG: 2215000 6.44492 -36.3241 -37.878 -37.1111 28.8 -8.20673 -40.2053 -7.68553 17.0151 TIMING: 2215000 CPU: 6677.62, 0.00300919/step Wall: 6677.62, 0.00300919/step, 2.32794 hours remaining, 209.269531 MB of memory in use. ENERGY: 2215000 752.3094 2071.5755 1895.5343 109.6009 -206458.5094 17961.5422 0.0000 0.0000 34086.3363 -149581.6108 297.6845 -183667.9470 -149480.7967 298.4382 -44.8726 -14.2102 557683.7010 17.2577 17.4200 PRESSURE: 2215200 51.4926 -79.8347 60.522 -79.8338 -225.907 -67.7831 60.5218 -67.7822 -72.6132 GPRESSURE: 2215200 100.671 -25.5647 22.9269 -72.3268 -175.093 -125.293 150.972 -1.35141 -73.824 PRESSAVG: 2215200 -7.68297 -86.704 -26.254 -86.704 -28.5383 -39.4514 -26.2539 -39.4516 37.7392 GPRESSAVG: 2215200 -8.4655 -87.3177 -24.9938 -85.9544 -28.2021 -38.144 -25.9706 -38.115 38.8012 TIMING: 2215200 CPU: 6678.22, 0.00301433/step Wall: 6678.22, 0.00301433/step, 2.33175 hours remaining, 209.269531 MB of memory in use. ENERGY: 2215200 733.5791 2046.6986 1925.2274 117.3146 -206174.9649 17805.0927 0.0000 0.0000 34063.1493 -149483.9033 297.4820 -183547.0526 -149387.8952 298.0274 -82.3425 -49.4151 559105.0250 0.5060 0.7112 PRESSURE: 2215400 57.8767 43.1177 -50.7656 43.1172 30.9569 8.64883 -50.7661 8.64917 28.5704 GPRESSURE: 2215400 42.1239 174.552 -112.695 -1.82246 99.9054 87.5366 -4.11261 6.65071 57.3303 PRESSAVG: 2215400 -0.353414 29.2017 9.48048 29.2016 17.1109 -16.6319 9.48043 -16.6319 -3.31079 GPRESSAVG: 2215400 0.882226 30.1162 7.77267 28.7286 17.0492 -15.1602 10.3155 -19.4372 -3.26703 TIMING: 2215400 CPU: 6678.82, 0.00301674/step Wall: 6678.82, 0.00301674/step, 2.33345 hours remaining, 209.269531 MB of memory in use. ENERGY: 2215400 727.5412 2099.8965 1916.5150 110.7849 -206499.9723 17924.4379 0.0000 0.0000 34356.9458 -149363.8511 300.0478 -183720.7969 -149267.4646 298.8998 39.1347 66.4532 556800.3479 4.4822 4.8881 PRESSURE: 2215600 -77.2151 233.589 140.144 233.589 -133.686 -8.4288 140.144 -8.42662 250.98 GPRESSURE: 2215600 -38.9172 253.864 71.5896 128.635 -118.339 21.2787 125.572 -37.456 298.275 PRESSAVG: 2215600 -39.9958 50.2901 9.12274 50.2901 38.789 34.7667 9.12283 34.7666 -29.8843 GPRESSAVG: 2215600 -39.5352 51.2957 8.65194 50.1168 38.1091 33.6875 9.44586 34.5241 -29.7353 TIMING: 2215600 CPU: 6679.42, 0.00300123/step Wall: 6679.42, 0.00300123/step, 2.32128 hours remaining, 209.269531 MB of memory in use. ENERGY: 2215600 759.0162 2060.2255 1940.2800 105.3888 -206294.7126 17884.3022 0.0000 0.0000 34085.4111 -149460.0888 297.6764 -183545.5000 -149364.8175 299.0238 13.3595 47.0061 556679.6367 -10.3637 -10.3872 PRESSURE: 2215800 -71.7856 89.9437 -62.3896 89.9428 -21.9192 -24.1538 -62.3888 -24.1529 144.883 GPRESSURE: 2215800 11.1965 122.106 8.70658 67.2646 -70.5459 -7.24714 -113.705 -12.6461 207.537 PRESSAVG: 2215800 -24.5365 20.6115 9.00279 20.6115 31.4187 -4.25915 9.00282 -4.25916 34.2531 GPRESSAVG: 2215800 -25.4956 18.6675 8.88261 20.1697 31.6175 -3.78195 8.35737 -3.12619 34.9977 TIMING: 2215800 CPU: 6680.02, 0.00300942/step Wall: 6680.02, 0.00300942/step, 2.32745 hours remaining, 209.269531 MB of memory in use. ENERGY: 2215800 759.2601 2066.6959 1893.0481 102.1565 -206771.8795 18017.9217 0.0000 0.0000 34326.6360 -149606.1611 299.7830 -183932.7971 -149505.6813 297.4406 17.0593 49.3960 556393.6272 13.7118 13.7065 PRESSURE: 2216000 60.0622 14.1699 44.7299 14.1703 210.051 -170.378 44.73 -170.377 127.545 GPRESSURE: 2216000 85.2556 34.7667 11.429 -32.3658 277.834 -336.349 45.1794 -76.7781 141.836 PRESSAVG: 2216000 -56.5314 10.631 32.445 10.631 19.3965 -44.0097 32.4449 -44.0097 -1.37783 GPRESSAVG: 2216000 -56.4442 11.2333 32.8696 10.5561 19.5751 -44.3314 33.6809 -44.7546 -1.71228 TIMING: 2216000 CPU: 6680.63, 0.00302421/step Wall: 6680.63, 0.00302421/step, 2.33873 hours remaining, 209.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2216000 744.6633 2081.8332 1932.2068 127.1777 -206665.3006 17938.4028 0.0000 0.0000 34264.2184 -149576.7984 299.2379 -183841.0169 -149487.3330 298.0804 132.5525 168.3085 555632.9624 -12.8376 -12.8605 PRESSURE: 2216200 48.1629 -128.41 -147.662 -128.41 -185.367 -26.6326 -147.662 -26.6311 -98.6148 GPRESSURE: 2216200 96.319 -180.891 -131.571 -35.4364 -161.285 90.3958 -156.978 -1.38331 -86.0101 PRESSAVG: 2216200 103.568 -1.25185 -12.9739 -1.25185 -31.6577 -43.531 -12.9738 -43.531 -55.1818 GPRESSAVG: 2216200 104.077 -0.424865 -12.0964 0.559341 -30.6396 -42.8058 -15.0322 -42.8621 -56.6278 TIMING: 2216200 CPU: 6681.24, 0.00303808/step Wall: 6681.24, 0.00303808/step, 2.34928 hours remaining, 209.269531 MB of memory in use. ENERGY: 2216200 776.2593 2083.2183 1897.0914 107.6694 -206699.6833 17896.4707 0.0000 0.0000 34185.6704 -149753.3038 298.5520 -183938.9742 -149649.6507 298.2325 -78.6062 -50.3253 556648.5186 5.5763 5.6032 LDB: ============= START OF LOAD BALANCING ============== 6684.75 LDB: ============== END OF LOAD BALANCING =============== 6684.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6684.75 LDB: ============= START OF LOAD BALANCING ============== 6685.06 LDB: Largest compute 4801 load 0.029768 is 25.2% of average load 0.117945 LDB: Average compute 0.001736 is 1.5% of average load 0.117945 LDB: TIME 6685.06 LOAD: AVG 0.117945 MAX 0.203161 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.996 MB LDB: TIME 6685.06 LOAD: AVG 0.117945 MAX 0.203161 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: TIME 6685.06 LOAD: AVG 0.117945 MAX 0.203161 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: ============== END OF LOAD BALANCING =============== 6685.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6685.06 PRESSURE: 2216400 -241.631 -105.342 -51.2369 -105.34 -57.304 -90.6765 -51.2372 -90.6764 -320.072 GPRESSURE: 2216400 -211.767 -103.299 2.34035 -74.9066 -75.1158 -70.9169 40.2638 -103.22 -240.424 PRESSAVG: 2216400 31.753 -23.3948 40.5452 -23.3948 -32.4148 -46.3263 40.5452 -46.3263 2.79126 GPRESSAVG: 2216400 31.5057 -24.6839 39.7794 -24.4961 -32.9641 -47.4649 42.3747 -46.0892 3.371 TIMING: 2216400 CPU: 6681.85, 0.00305544/step Wall: 6681.85, 0.00305544/step, 2.36253 hours remaining, 210.472656 MB of memory in use. ENERGY: 2216400 721.5006 2144.6422 1927.6094 117.9788 -206130.3081 17529.2269 0.0000 0.0000 34099.7094 -149589.6409 297.8012 -183689.3503 -149499.6209 298.3137 -206.3358 -175.7691 558732.8266 0.7098 0.6375 PRESSURE: 2216600 167.77 -149.671 -74.9018 -149.671 47.02 -63.7227 -74.9009 -63.7226 -187.617 GPRESSURE: 2216600 145.698 -109.025 -72.9206 -220.48 77.0508 -36.772 -66.7617 -60.8438 -105.446 PRESSAVG: 2216600 -9.8675 -64.753 -15.9893 -64.753 -19.5981 -0.281284 -15.9894 -0.281311 44.4402 GPRESSAVG: 2216600 -9.60585 -62.1989 -16.3054 -65.8664 -19.2613 -0.600986 -17.4174 0.127702 44.0015 TIMING: 2216600 CPU: 6682.45, 0.00301825/step Wall: 6682.45, 0.00301825/step, 2.33361 hours remaining, 210.542969 MB of memory in use. ENERGY: 2216600 731.8737 2105.2775 1952.8595 118.5691 -206373.4403 17875.7718 0.0000 0.0000 34046.7892 -149542.2996 297.3391 -183589.0888 -149446.6728 298.3429 9.0576 39.1008 556834.8813 4.9915 5.0448 PRESSURE: 2216800 -142.757 -48.033 -41.0654 -48.0325 -178.284 74.5807 -41.0652 74.5816 -300.609 GPRESSURE: 2216800 -92.6062 -93.4817 19.642 -2.71316 -137.529 67.5074 -19.8966 93.3823 -283.412 PRESSAVG: 2216800 16.9039 -17.5672 -28.981 -17.5673 -4.31041 -27.191 -28.9811 -27.1909 -23.72 GPRESSAVG: 2216800 16.3884 -20.0684 -28.0414 -16.8612 -4.61848 -26.8976 -27.4036 -29.4981 -23.0108 TIMING: 2216800 CPU: 6683.06, 0.00302405/step Wall: 6683.06, 0.00302405/step, 2.33792 hours remaining, 210.542969 MB of memory in use. ENERGY: 2216800 733.6182 2090.2190 1952.0617 122.4273 -206053.3574 17591.7265 0.0000 0.0000 34199.0980 -149364.2068 298.6692 -183563.3048 -149265.2952 298.7559 -207.2168 -171.1823 558505.6922 -3.7088 -3.7470 PRESSURE: 2217000 24.3856 35.063 -210.057 35.0638 4.24515 -19.3562 -210.056 -19.3556 109.36 GPRESSURE: 2217000 9.41583 -31.4252 -198.504 46.5328 57.1516 0.0400291 -247.48 35.2524 167.741 PRESSAVG: 2217000 34.3252 16.6249 4.59766 16.6248 -62.9452 -15.2487 4.59772 -15.2485 16.4168 GPRESSAVG: 2217000 33.5949 16.9238 3.51359 16.8035 -63.3518 -14.5269 2.76716 -13.9764 17.638 TIMING: 2217000 CPU: 6683.66, 0.00300414/step Wall: 6683.66, 0.00300414/step, 2.32236 hours remaining, 210.542969 MB of memory in use. ENERGY: 2217000 746.2351 2163.6801 1904.5398 104.9925 -206519.1369 17936.4549 0.0000 0.0000 34356.5308 -149306.7036 300.0441 -183663.2344 -149216.2559 299.1917 45.9969 78.1027 557687.6629 -4.0677 -4.0396 PRESSURE: 2217200 -169.104 -83.4676 18.5869 -83.4684 -57.3649 -16.0903 18.5864 -16.0879 -50.3587 GPRESSURE: 2217200 -99.4927 -121.504 -17.1267 8.18772 -18.3447 -104.231 -52.5008 -29.5975 -56.9663 PRESSAVG: 2217200 -31.5022 -59.5343 -31.094 -59.5343 19.6498 -1.53313 -31.094 -1.53311 27.6648 GPRESSAVG: 2217200 -31.0615 -60.89 -29.7325 -57.9562 20.8289 -2.61187 -30.9606 -0.49752 26.0557 TIMING: 2217200 CPU: 6684.25, 0.00297269/step Wall: 6684.25, 0.00297269/step, 2.29789 hours remaining, 210.542969 MB of memory in use. ENERGY: 2217200 770.2221 2123.3224 1952.2186 114.6657 -206027.1091 17670.6749 0.0000 0.0000 34230.3681 -149165.6373 298.9423 -183396.0054 -149070.6118 299.6722 -92.2758 -58.2679 556291.4237 5.2708 5.2744 PRESSURE: 2217400 3.86155 179.615 8.60694 179.614 -132.04 90.4523 8.60782 90.4518 -15.8802 GPRESSURE: 2217400 94.3378 128.448 16.485 204.584 -80.1076 91.2312 33.4914 60.4263 -60.7176 PRESSAVG: 2217400 0.134151 58.5252 -7.24348 58.5252 16.4522 -11.5664 -7.24342 -11.5664 -54.4585 GPRESSAVG: 2217400 0.47308 58.0162 -6.54102 57.646 15.8117 -11.5687 -7.49507 -11.3747 -54.1174 TIMING: 2217400 CPU: 6684.85, 0.00299899/step Wall: 6684.85, 0.00299899/step, 2.31806 hours remaining, 210.542969 MB of memory in use. ENERGY: 2217400 741.3411 2086.8567 1913.5880 100.6642 -206365.9012 17771.4542 0.0000 0.0000 34473.0544 -149278.9426 301.0618 -183751.9971 -149181.2823 298.8230 -48.0195 -15.4958 555538.0012 -12.6241 -12.6109 PRESSURE: 2217600 144.431 -222.945 -1.01657 -222.944 -175.615 134.133 -1.01519 134.133 44.5275 GPRESSURE: 2217600 104.693 -156.688 -43.7081 -210.408 -92.5416 15.4814 51.1744 145.663 96.95 PRESSAVG: 2217600 57.2465 44.3331 -35.024 44.3331 -51.1467 28.9517 -35.024 28.9517 -35.9944 GPRESSAVG: 2217600 56.3473 47.4035 -36.266 42.4374 -50.4681 28.5065 -35.2102 28.4921 -35.4342 TIMING: 2217600 CPU: 6685.45, 0.00300909/step Wall: 6685.45, 0.00300909/step, 2.32569 hours remaining, 210.542969 MB of memory in use. ENERGY: 2217600 714.1033 2107.9930 1932.1410 115.4408 -206003.1379 17776.4770 0.0000 0.0000 34339.3064 -149017.6766 299.8937 -183356.9830 -148917.8842 299.9639 4.4478 36.3670 557419.9623 -9.9649 -9.8517 PRESSURE: 2217800 -257.904 -65.5456 13.161 -65.5442 137.526 112.265 13.1605 112.264 -23.3831 GPRESSURE: 2217800 -242.087 -43.3612 -66.3312 -115.374 154.684 111.095 69.3028 23.2604 45.8194 PRESSAVG: 2217800 -84.0834 16.2115 7.82013 16.2116 128.323 45.2243 7.82008 45.2243 -100.152 GPRESSAVG: 2217800 -81.764 16.0199 7.42772 14.2356 127.304 46.1968 8.15282 44.4925 -101.504 TIMING: 2217800 CPU: 6686.05, 0.00301153/step Wall: 6686.05, 0.00301153/step, 2.32741 hours remaining, 210.542969 MB of memory in use. ENERGY: 2217800 741.5872 2080.5335 1922.1462 126.3678 -206206.5943 17806.1773 0.0000 0.0000 34379.5996 -149150.1827 300.2456 -183529.7823 -149059.1891 299.9397 -47.9205 -13.8612 557164.9939 -18.6377 -18.6547 PRESSURE: 2218000 -36.6604 89.0583 -92.0128 89.0583 259.785 52.5975 -92.0124 52.5974 118.785 GPRESSURE: 2218000 27.6826 105.599 -27.8958 168.624 219.964 83.0653 -80.603 -14.4825 183.583 PRESSAVG: 2218000 37.584 -21.8411 38.579 -21.8412 -2.69569 -41.2535 38.5788 -41.2536 -38.955 GPRESSAVG: 2218000 37.0263 -20.9737 39.534 -20.4266 -3.28314 -40.3622 39.4584 -41.4827 -37.8788 TIMING: 2218000 CPU: 6686.66, 0.00304431/step Wall: 6686.66, 0.00304431/step, 2.35257 hours remaining, 210.542969 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: 2218000 715.2295 2059.4477 1920.2229 110.5777 -206174.3018 17809.2562 0.0000 0.0000 34341.4439 -149218.1240 299.9124 -183559.5678 -149126.1204 299.5973 113.9701 143.7433 555308.8276 -1.3556 -1.3786 PRESSURE: 2218200 18.5261 6.4452 56.1657 6.44466 -114.3 -138.323 56.1668 -138.324 73.765 GPRESSURE: 2218200 67.3986 78.7521 114.208 -60.5979 -68.7036 -131.733 13.4037 -116.287 68.0723 PRESSAVG: 2218200 -1.15381 -5.22928 84.7242 -5.22918 -62.8474 -6.66959 84.7242 -6.6697 55.9177 GPRESSAVG: 2218200 -1.22551 -5.6005 85.0096 -5.84152 -62.2369 -8.60656 83.3188 -6.04396 56.3177 TIMING: 2218200 CPU: 6687.27, 0.00302542/step Wall: 6687.27, 0.00302542/step, 2.33781 hours remaining, 210.542969 MB of memory in use. ENERGY: 2218200 727.9325 2173.8014 1916.1255 119.2368 -206038.0056 17675.3725 0.0000 0.0000 34298.1913 -149127.3456 299.5346 -183425.5369 -149030.5420 299.6510 -7.3363 22.2558 557023.3929 -2.6945 -2.3816 PRESSURE: 2218400 -113.239 -34.7716 -51.0564 -34.7726 -131.746 148.812 -51.0577 148.811 -46.1865 GPRESSURE: 2218400 -80.3408 -69.5828 20.1534 -18.6991 -85.2242 236.98 -25.1711 140.945 -25.2214 PRESSAVG: 2218400 83.5363 29.1929 50.8562 29.1928 -32.5705 -22.2761 50.8561 -22.2761 -55.5573 GPRESSAVG: 2218400 83.1512 28.6551 53.031 30.9996 -31.0172 -22.2944 52.4503 -22.9425 -56.1169 TIMING: 2218400 CPU: 6687.87, 0.00299372/step Wall: 6687.87, 0.00299372/step, 2.31315 hours remaining, 210.542969 MB of memory in use. ENERGY: 2218400 763.8182 2072.8712 1910.3240 117.2594 -205990.1849 17665.4891 0.0000 0.0000 34451.0317 -149009.3912 300.8694 -183460.4230 -148905.6202 299.9619 -97.0572 -63.5955 556175.1292 -1.5305 -1.3276 PRESSURE: 2218600 78.7367 -132.83 -57.5202 -132.83 130.392 26.4084 -57.5212 26.408 5.2754 GPRESSURE: 2218600 133.843 -154.26 -37.9376 -154.525 161.538 22.9276 -101.213 53.4773 23.8881 PRESSAVG: 2218600 -10.3469 -23.6522 5.06748 -23.6522 14.1644 -34.6172 5.06736 -34.6171 -36.9263 GPRESSAVG: 2218600 -10.0092 -24.0157 4.02795 -24.0009 13.1122 -33.5225 5.11477 -34.1082 -36.3672 TIMING: 2218600 CPU: 6688.47, 0.00299218/step Wall: 6688.47, 0.00299218/step, 2.31179 hours remaining, 210.542969 MB of memory in use. ENERGY: 2218600 736.2858 2110.0046 1923.7938 112.5627 -205923.5042 17707.0599 0.0000 0.0000 34383.7786 -148950.0188 300.2821 -183333.7974 -148858.2731 300.0208 71.4682 106.4229 556823.9765 -11.0362 -11.0881 PRESSURE: 2218800 -159.849 11.0772 -81.0982 11.0781 -175.245 -16.5051 -81.0996 -16.5061 -145.408 GPRESSURE: 2218800 -69.1592 -28.3916 -194.823 -18.946 -197.668 -75.5799 -96.0537 -66.9064 -131.159 PRESSAVG: 2218800 9.30924 0.00991632 -3.98986 0.00985304 -44.5353 -12.6987 -3.98983 -12.6987 -1.88142 GPRESSAVG: 2218800 9.89136 -1.27009 -4.52516 2.13078 -44.5545 -13.3955 -5.47872 -14.0555 -2.2852 TIMING: 2218800 CPU: 6689.06, 0.00296771/step Wall: 6689.06, 0.00296771/step, 2.29272 hours remaining, 210.542969 MB of memory in use. ENERGY: 2218800 723.4860 2112.8279 1896.5293 109.4257 -205642.6247 17372.1386 0.0000 0.0000 34381.8422 -149046.3750 300.2652 -183428.2172 -148954.7672 300.7209 -160.1673 -132.6621 557721.7717 -12.3691 -12.3161 PRESSURE: 2219000 254.017 -110.381 32.5707 -110.381 33.6545 57.7445 32.5714 57.7439 44.3647 GPRESSURE: 2219000 248.398 -159.074 53.7582 -60.048 81.8168 -17.2204 70.7377 43.8291 106.671 PRESSAVG: 2219000 39.4851 -20.276 22.5969 -20.2761 -18.9125 -18.836 22.5969 -18.8361 -4.30408 GPRESSAVG: 2219000 37.6472 -18.6914 20.9425 -23.6878 -18.1744 -18.0433 23.9316 -18.5024 -2.96727 TIMING: 2219000 CPU: 6689.66, 0.00299226/step Wall: 6689.66, 0.00299226/step, 2.31152 hours remaining, 210.542969 MB of memory in use. ENERGY: 2219000 727.1904 2047.8271 1938.5361 118.6002 -206230.7433 17821.2736 0.0000 0.0000 34344.1534 -149233.1625 299.9360 -183577.3159 -149129.9961 299.8428 110.6789 145.6286 555850.6409 5.4229 5.5019 PRESSURE: 2219200 42.9491 76.1074 104.849 76.1081 -37.1603 -128.683 104.85 -128.683 -230.17 GPRESSURE: 2219200 52.7719 40.3991 71.2169 188.519 30.5981 -90.8892 103.698 -144.105 -198.101 PRESSAVG: 2219200 38.966 12.998 26.53 12.9979 -89.2964 -37.2427 26.5301 -37.2427 18.464 GPRESSAVG: 2219200 39.3829 13.1328 30.2964 16.8657 -88.8352 -37.3991 26.638 -35.9049 17.7218 TIMING: 2219200 CPU: 6690.26, 0.00303053/step Wall: 6690.26, 0.00303053/step, 2.34092 hours remaining, 210.542969 MB of memory in use. ENERGY: 2219200 746.7386 2081.7193 1932.3559 104.5265 -206132.3667 17616.4917 0.0000 0.0000 34511.3381 -149139.1967 301.3961 -183650.5348 -149039.9475 299.5248 -74.7936 -38.2438 556494.0557 -10.6221 -10.5769 PRESSURE: 2219400 0.410341 -91.7949 267.89 -91.7954 -31.5277 -59.1307 267.889 -59.13 165.982 GPRESSURE: 2219400 2.42177 -76.0718 256.279 -142.334 -0.900091 -24.2097 242.104 -125.031 235.739 PRESSAVG: 2219400 48.8357 -35.357 34.1327 -35.3569 -59.1952 -40.338 34.1328 -40.338 38.663 GPRESSAVG: 2219400 49.0743 -35.25 32.13 -37.637 -60.416 -40.0689 35.0763 -41.3884 40.0986 TIMING: 2219400 CPU: 6690.87, 0.00303409/step Wall: 6690.87, 0.00303409/step, 2.3435 hours remaining, 210.542969 MB of memory in use. ENERGY: 2219400 758.9057 2087.4289 1904.2429 117.6819 -205982.9115 17831.8825 0.0000 0.0000 34205.8432 -149076.9263 298.7281 -183282.7695 -148979.2502 299.2020 44.9549 79.0870 556750.4006 9.4345 9.5856 PRESSURE: 2219600 22.3972 -105.241 -32.1822 -105.24 53.0278 -126.111 -32.1829 -126.111 221.52 GPRESSURE: 2219600 81.9153 -135.383 -72.7649 -34.9861 18.4165 -107.032 64.8041 -131.072 303.311 PRESSAVG: 2219600 -39.6965 43.7106 -0.34617 43.7105 -13.2583 -64.5785 -0.346158 -64.5785 41.8306 GPRESSAVG: 2219600 -39.0631 41.8651 -0.407553 44.5015 -12.5867 -64.835 -2.57508 -62.5704 40.3358 TIMING: 2219600 CPU: 6691.47, 0.00301676/step Wall: 6691.47, 0.00301676/step, 2.32994 hours remaining, 210.542969 MB of memory in use. ENERGY: 2219600 773.8689 2098.5162 1912.6760 110.7685 -206180.7930 17893.0887 0.0000 0.0000 34451.9748 -148939.8999 300.8777 -183391.8747 -148845.0873 299.9086 98.9817 134.5476 557176.4314 -3.7081 -3.7713 PRESSURE: 2219800 -183.601 -9.44112 98.6949 -9.44099 -71.6769 -69.3892 98.6959 -69.3895 -45.1283 GPRESSURE: 2219800 -220.123 -6.27153 208.914 20.4443 21.6303 -107.01 3.68343 -20.2468 -9.21451 PRESSAVG: 2219800 2.7849 16.1687 33.0274 16.1688 -28.2873 -23.0058 33.0274 -23.0057 47.7145 GPRESSAVG: 2219800 2.46497 17.4745 34.5067 14.744 -28.1327 -20.9848 33.8496 -25.5341 47.6233 TIMING: 2219800 CPU: 6692.07, 0.00299628/step Wall: 6692.07, 0.00299628/step, 2.31396 hours remaining, 210.542969 MB of memory in use. ENERGY: 2219800 757.7908 2022.1338 1953.0687 113.1661 -205389.1651 17415.9474 0.0000 0.0000 34266.7376 -148860.3208 299.2599 -183127.0584 -148760.7170 300.7693 -100.1353 -69.2357 557465.5491 7.4040 7.3185 PRESSURE: 2220000 17.6144 -33.1636 13.0931 -33.1631 -85.3519 -86.2662 13.0929 -86.2677 -59.7236 GPRESSURE: 2220000 11.3881 -39.5504 -16.1913 -34.4574 28.4892 -65.9089 -2.88765 -104.667 -62.7335 PRESSAVG: 2220000 -21.981 28.9474 -1.98708 28.9474 -24.3352 -78.9786 -1.98702 -78.9787 24.0308 GPRESSAVG: 2220000 -22.8155 28.6665 -4.49345 32.4091 -24.0555 -82.714 -1.43842 -77.8273 23.6378 TIMING: 2220000 CPU: 6692.67, 0.00300383/step Wall: 6692.67, 0.00300383/step, 2.31963 hours remaining, 210.542969 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: 2220000 748.4157 2068.6330 1955.3451 126.1418 -206255.4481 17864.1697 0.0000 0.0000 34516.1718 -148976.5710 301.4383 -183492.7428 -148871.7490 299.9471 -42.4871 -7.6188 557258.8000 -7.4284 -7.7444 PRESSURE: 2220200 156.777 107.991 -93.4537 107.991 48.5516 49.2457 -93.4525 49.2458 -125.263 GPRESSURE: 2220200 244.146 34.8717 -166.574 62.3473 34.1888 40.0981 -125.419 51.2228 -102.895 PRESSAVG: 2220200 53.9772 10.3593 17.6867 10.3593 -27.7451 -35.5928 17.6867 -35.5928 -12.8549 GPRESSAVG: 2220200 55.1777 9.69051 17.5256 9.03582 -29.3512 -33.1477 18.0909 -37.1858 -12.8883 TIMING: 2220200 CPU: 6693.27, 0.00300289/step Wall: 6693.27, 0.00300289/step, 2.31873 hours remaining, 210.542969 MB of memory in use. ENERGY: 2220200 752.7942 2029.0799 1937.4297 114.1119 -206212.7181 17861.0399 0.0000 0.0000 34395.2405 -149123.0220 300.3822 -183518.2624 -149023.4463 300.2362 26.6886 58.4797 556995.8358 4.4591 4.3127 LDB: ============= START OF LOAD BALANCING ============== 6696.79 LDB: ============== END OF LOAD BALANCING =============== 6696.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6696.8 LDB: ============= START OF LOAD BALANCING ============== 6697.1 LDB: Largest compute 4773 load 0.028374 is 24.0% of average load 0.117998 LDB: Average compute 0.001729 is 1.5% of average load 0.117998 LDB: TIME 6697.1 LOAD: AVG 0.117998 MAX 0.206387 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.68 MB LDB: TIME 6697.1 LOAD: AVG 0.117998 MAX 0.206387 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.68 MB LDB: TIME 6697.1 LOAD: AVG 0.117998 MAX 0.206387 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.68 MB LDB: ============== END OF LOAD BALANCING =============== 6697.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6697.11 PRESSURE: 2220400 245.327 22.3334 -130.287 22.3331 135.864 -32.759 -130.289 -32.7581 -52.3854 GPRESSURE: 2220400 245.495 44.5264 -104.475 21.661 141.388 -81.3719 -29.5436 -115.923 36.3449 PRESSAVG: 2220400 55.7888 26.322 -10.2428 26.322 -6.98733 -11.7063 -10.2427 -11.7063 27.2226 GPRESSAVG: 2220400 54.3014 28.6936 -9.70802 23.3942 -5.56427 -11.2069 -9.40917 -10.7086 27.0193 TIMING: 2220400 CPU: 6693.89, 0.00308536/step Wall: 6693.89, 0.00308536/step, 2.38224 hours remaining, 210.933594 MB of memory in use. ENERGY: 2220400 741.3009 2039.6709 1927.9372 111.0422 -206195.5090 17839.2269 0.0000 0.0000 34212.9280 -149323.4029 298.7900 -183536.3310 -149228.7754 299.0822 109.6018 141.0763 554972.3532 25.3414 25.2521 PRESSURE: 2220600 -79.7559 198.993 -5.15397 198.993 -273.784 -27.673 -5.15551 -27.6712 213.274 GPRESSURE: 2220600 -72.6777 146.972 -123.5 214.169 -246.704 -147.641 -10.3052 -72.7055 274.24 PRESSAVG: 2220600 14.1969 -44.1754 2.14226 -44.1754 -60.6217 -40.8016 2.14225 -40.8017 12.7347 GPRESSAVG: 2220600 14.3981 -45.7474 3.08165 -42.7855 -61.3053 -42.8515 -0.781572 -38.9827 12.8506 TIMING: 2220600 CPU: 6694.49, 0.00301326/step Wall: 6694.49, 0.00301326/step, 2.3264 hours remaining, 210.933594 MB of memory in use. ENERGY: 2220600 755.6121 2085.8054 1936.6488 115.7859 -206068.1100 17699.6134 0.0000 0.0000 34089.5554 -149385.0891 297.7126 -183474.6445 -149291.3501 298.7764 -46.7551 -15.0473 557335.7538 -11.2300 -11.3522 PRESSURE: 2220800 61.7712 -142.752 -78.3612 -142.752 265.916 111.515 -78.3615 111.516 -1.8244 GPRESSURE: 2220800 113.68 -83.2279 -47.7151 -218.913 314.547 116.387 -43.6364 114.384 6.48175 PRESSAVG: 2220800 -16.6637 9.75254 -2.67157 9.7526 21.8971 23.8841 -2.67159 23.8842 4.8367 GPRESSAVG: 2220800 -17.4173 11.175 -3.94803 10.2348 22.5029 26.0134 -1.43779 22.073 5.15386 TIMING: 2220800 CPU: 6695.09, 0.00296763/step Wall: 6695.09, 0.00296763/step, 2.29101 hours remaining, 210.933594 MB of memory in use. ENERGY: 2220800 731.5270 2084.3042 1935.7326 118.0209 -206624.8446 17998.6653 0.0000 0.0000 34383.5705 -149373.0242 300.2803 -183756.5947 -149276.8540 298.8953 108.6208 144.9029 556426.2274 3.3567 3.4132 PRESSURE: 2221000 -67.8817 14.9286 26.3718 14.9289 -45.1724 45.9228 26.3714 45.9224 -242.754 GPRESSURE: 2221000 -68.5721 77.1189 16.6953 30.5778 -13.0012 65.9881 51.932 73.1439 -182.683 PRESSAVG: 2221000 -37.7283 -31.8961 23.584 -31.8961 -0.759676 26.0532 23.5841 26.0533 64.6727 GPRESSAVG: 2221000 -37.1153 -33.92 25.1169 -30.783 -0.960018 25.8079 21.7089 25.874 64.3199 TIMING: 2221000 CPU: 6695.68, 0.00296979/step Wall: 6695.68, 0.00296979/step, 2.29251 hours remaining, 210.933594 MB of memory in use. ENERGY: 2221000 741.0091 2065.9677 1948.5046 120.1255 -206063.5156 17639.6754 0.0000 0.0000 34135.8236 -149412.4097 298.1166 -183548.2333 -149318.1750 298.7176 -118.6026 -88.0855 558163.5182 8.7283 8.7482 PRESSURE: 2221200 -13.8534 -98.122 85.3196 -98.1223 -106.88 -64.1702 85.3198 -64.1712 -38.0076 GPRESSURE: 2221200 -28.766 -78.3948 19.4144 -104.239 -50.1923 -130.092 28.6852 -43.8527 8.31633 PRESSAVG: 2221200 21.0159 61.1453 -18.6875 61.1453 -19.492 5.94736 -18.6875 5.94735 -6.55107 GPRESSAVG: 2221200 20.1704 60.6582 -20.7025 62.2125 -19.2662 5.4211 -18.2603 5.39969 -5.78106 TIMING: 2221200 CPU: 6696.28, 0.00298469/step Wall: 6696.28, 0.00298469/step, 2.30385 hours remaining, 210.933594 MB of memory in use. ENERGY: 2221200 759.0257 2072.0195 1909.0447 104.4619 -206544.2737 17967.9674 0.0000 0.0000 34289.2168 -149442.5377 299.4563 -183731.7545 -149349.2294 298.8528 -52.9136 -23.5473 558024.1398 -1.6757 -1.6256 PRESSURE: 2221400 -97.4286 -64.1698 -177.957 -64.1693 -311.056 1.2142 -177.958 1.21407 -14.5334 GPRESSURE: 2221400 -65.62 -101.809 -235.834 -28.1181 -259.548 39.9712 -184.025 67.1655 -3.51301 PRESSAVG: 2221400 16.8041 -21.9838 14.3312 -21.9839 -70.9657 -10.5639 14.3312 -10.5638 44.159 GPRESSAVG: 2221400 16.4847 -22.068 16.7145 -22.5404 -70.7573 -10.9725 15.4461 -8.76321 43.4334 TIMING: 2221400 CPU: 6696.87, 0.00297662/step Wall: 6696.87, 0.00297662/step, 2.29746 hours remaining, 210.933594 MB of memory in use. ENERGY: 2221400 763.0575 2062.4780 1922.6494 100.5790 -206286.3897 17835.7359 0.0000 0.0000 34309.7910 -149292.0988 299.6359 -183601.8898 -149195.8340 299.0568 -141.0059 -109.5603 558678.0251 -3.3342 -3.6131 PRESSURE: 2221600 56.6582 45.1313 58.973 45.1302 -30.9137 85.6078 58.9734 85.6089 53.2694 GPRESSURE: 2221600 83.1438 -13.6017 -45.5254 39.1739 6.80551 -4.53222 83.3556 121.102 96.5435 PRESSAVG: 2221600 52.0198 -5.63691 -35.819 -5.63684 -20.4395 -42.5702 -35.819 -42.5702 0.234187 GPRESSAVG: 2221600 53.1918 -6.19145 -36.3982 -6.10499 -21.7673 -43.2048 -36.9533 -42.7211 0.421213 TIMING: 2221600 CPU: 6697.47, 0.00300171/step Wall: 6697.47, 0.00300171/step, 2.31665 hours remaining, 210.933594 MB of memory in use. ENERGY: 2221600 743.2936 2090.4829 1923.2126 113.9710 -206441.0665 17929.9912 0.0000 0.0000 34373.5631 -149266.5520 300.1929 -183640.1152 -149168.1151 299.5790 26.3380 62.1643 556387.0878 10.6048 10.6152 PRESSURE: 2221800 -120.221 -258.68 254.949 -258.68 -96.6344 9.72193 254.95 9.72003 -68.5894 GPRESSURE: 2221800 -85.6898 -329.906 155.069 -193.505 -20.3754 13.3884 240.894 26.6676 -87.7588 PRESSAVG: 2221800 57.5862 -52.2824 62.2427 -52.2824 -50.6732 4.33538 62.2427 4.33546 -7.29796 GPRESSAVG: 2221800 57.6502 -50.7925 59.3924 -52.5591 -50.2096 5.92237 63.0297 4.66416 -8.03045 TIMING: 2221800 CPU: 6698.08, 0.00301972/step Wall: 6698.08, 0.00301972/step, 2.33038 hours remaining, 210.933594 MB of memory in use. ENERGY: 2221800 746.3005 2016.8367 1938.9772 110.8836 -206121.6104 17703.9172 0.0000 0.0000 34280.8829 -149323.8123 299.3835 -183604.6952 -149230.6105 299.1351 -95.1484 -64.6080 557426.3592 -0.1283 -0.1966 PRESSURE: 2222000 90.0754 -179.521 111.408 -179.523 -125.603 254.207 111.409 254.209 103.463 GPRESSURE: 2222000 134.218 -225.068 185.785 -64.9152 -95.8283 243.716 81.5116 208.097 123.137 PRESSAVG: 2222000 -8.2801 -78.1127 37.0544 -78.1127 42.0784 -40.737 37.0544 -40.7369 -21.2599 GPRESSAVG: 2222000 -8.48671 -78.2518 38.8856 -77.4298 42.2135 -40.0987 34.6768 -40.2328 -20.9438 TIMING: 2222000 CPU: 6698.68, 0.00301032/step Wall: 6698.68, 0.00301032/step, 2.32296 hours remaining, 210.933594 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: 2222000 734.6728 2053.5101 1948.4237 110.6122 -206373.7121 17922.8253 0.0000 0.0000 34365.7136 -149237.9544 300.1243 -183603.6680 -149147.1826 298.5350 22.6452 53.8421 558864.4426 4.1795 4.2610 PRESSURE: 2222200 -6.92845 60.8083 93.458 60.8087 -93.2752 147.074 93.4579 147.073 -338.48 GPRESSURE: 2222200 -2.29892 86.7653 83.8714 21.6628 -41.2932 121.932 124.994 183.667 -298.471 PRESSAVG: 2222200 -9.96223 -72.9816 30.0599 -72.9815 14.2041 59.7977 30.0599 59.7979 8.66278 GPRESSAVG: 2222200 -10.9681 -72.6725 28.0866 -72.7186 14.6958 58.9556 33.6792 59.4025 9.39715 TIMING: 2222200 CPU: 6699.29, 0.00304062/step Wall: 6699.29, 0.00304062/step, 2.34618 hours remaining, 210.933594 MB of memory in use. ENERGY: 2222200 721.7889 2039.6542 1931.2576 114.1741 -206047.4232 17707.5360 0.0000 0.0000 34110.1892 -149422.8231 297.8928 -183533.0123 -149320.7755 298.4247 -146.2280 -114.0211 558409.2448 4.3016 4.3750 PRESSURE: 2222400 202.12 47.5785 79.1471 47.579 -329.564 133.063 79.1466 133.062 -45.8203 GPRESSURE: 2222400 148.295 58.8606 122.725 97.0195 -260.244 151.621 -5.78043 170.693 31.8779 PRESSAVG: 2222400 59.8523 19.8052 -4.81351 19.8052 -11.4323 -9.12216 -4.81357 -9.12218 -7.13223 GPRESSAVG: 2222400 60.4199 19.0045 -3.66739 19.3927 -11.7454 -6.87573 -6.81016 -8.81593 -7.18598 TIMING: 2222400 CPU: 6699.9, 0.00303343/step Wall: 6699.9, 0.00303343/step, 2.34046 hours remaining, 210.933594 MB of memory in use. ENERGY: 2222400 721.7420 2059.1870 1928.5499 108.6090 -206235.3638 17768.2955 0.0000 0.0000 34228.5739 -149420.4066 298.9266 -183648.9805 -149325.0894 298.3795 -57.7547 -26.6903 557060.5669 13.7626 13.8295 PRESSURE: 2222600 273.34 -77.7317 -9.99519 -77.7321 111.878 113.277 -9.99478 113.278 193.743 GPRESSURE: 2222600 316.829 -64.4681 34.4955 -130.435 148.704 108.185 -21.4016 239.862 219.422 PRESSAVG: 2222600 73.2956 -70.0783 31.4359 -70.0782 -114.518 18.1324 31.4359 18.1324 13.3008 GPRESSAVG: 2222600 73.7301 -70.029 31.1089 -72.0407 -114.59 18.5735 30.3635 17.4322 12.3291 TIMING: 2222600 CPU: 6700.49, 0.00297843/step Wall: 6700.49, 0.00297843/step, 2.29786 hours remaining, 210.933594 MB of memory in use. ENERGY: 2222600 717.0784 2102.2344 1923.5400 113.9124 -206588.3529 18117.4964 0.0000 0.0000 34221.1314 -149392.9599 298.8617 -183614.0913 -149303.5620 298.6787 192.9873 228.3185 558099.1938 -9.3071 -9.5102 PRESSURE: 2222800 -197.551 100.444 46.4217 100.445 -251.298 -30.1102 46.4218 -30.1115 -279.004 GPRESSURE: 2222800 -185.329 38.202 80.8747 -9.49735 -210.624 -55.0652 81.4607 50.6208 -237.912 PRESSAVG: 2222800 33.6029 -10.2444 -1.92919 -10.2444 -33.5647 -37.5684 -1.92921 -37.5683 -3.22646 GPRESSAVG: 2222800 34.0752 -10.7732 -0.45585 -7.98907 -34.082 -40.2077 -1.06502 -38.4396 -2.96631 TIMING: 2222800 CPU: 6701.09, 0.00300077/step Wall: 6701.09, 0.00300077/step, 2.31492 hours remaining, 210.933594 MB of memory in use. ENERGY: 2222800 765.8936 2096.6378 1939.3651 105.0527 -205996.3589 17496.0850 0.0000 0.0000 34185.6375 -149407.6872 298.5517 -183593.3247 -149313.8332 298.8527 -242.6179 -211.2882 558699.9227 -1.0627 -0.9911 PRESSURE: 2223000 178.966 -60.6522 -26.3472 -60.6536 191.352 -23.6263 -26.3485 -23.627 -101.837 GPRESSURE: 2223000 169.922 -35.3067 -49.149 -67.6793 246.244 -38.12 4.99141 -9.96961 -43.7475 PRESSAVG: 2223000 8.99087 -11.9322 -40.2465 -11.9322 -59.0478 -4.02741 -40.2465 -4.02747 22.9497 GPRESSAVG: 2223000 8.20691 -12.4006 -41.0183 -11.3463 -59.559 -2.60623 -39.0568 -3.3191 24.1158 TIMING: 2223000 CPU: 6701.7, 0.00303335/step Wall: 6701.7, 0.00303336/step, 2.3399 hours remaining, 210.933594 MB of memory in use. ENERGY: 2223000 709.7428 2087.8551 1936.1181 102.7677 -206500.6414 17966.7735 0.0000 0.0000 34248.3808 -149449.0034 299.0996 -183697.3841 -149351.3882 298.6546 89.4938 124.1394 557470.1039 -9.0357 -9.0788 PRESSURE: 2223200 -263.175 76.8778 47.125 76.8779 -407.227 -18.611 47.1254 -18.6116 -290.404 GPRESSURE: 2223200 -231.547 159.873 77.5102 95.0738 -339.447 -25.1944 55.5941 24.096 -278.851 PRESSAVG: 2223200 81.8183 -26.9902 -59.7457 -26.9902 -44.7822 41.0341 -59.7458 41.0341 4.05128 GPRESSAVG: 2223200 82.3223 -25.7004 -59.4159 -28.5275 -43.0633 40.4096 -61.8717 41.2124 1.90704 TIMING: 2223200 CPU: 6702.3, 0.00300427/step Wall: 6702.3, 0.00300427/step, 2.31729 hours remaining, 211.195312 MB of memory in use. ENERGY: 2223200 754.0248 2149.5260 1915.4432 111.1774 -205723.9345 17192.0968 0.0000 0.0000 34175.8448 -149425.8215 298.4662 -183601.6663 -149333.8971 299.1936 -320.2686 -283.2815 556757.4049 13.6958 13.7220 PRESSURE: 2223400 -129.529 -73.9275 -12.8933 -73.9291 -160.074 13.6567 -12.8933 13.6583 -64.1324 GPRESSURE: 2223400 -121.488 -89.8944 -16.7006 -52.6661 -117.155 86.866 17.9337 39.1411 -18.1927 PRESSAVG: 2223400 25.1937 -30.8077 18.7806 -30.8078 -14.1783 -0.665744 18.7808 -0.665785 12.3618 GPRESSAVG: 2223400 25.4346 -30.4813 17.2484 -31.5228 -16.1259 -2.78022 21.6701 -1.04918 13.82 TIMING: 2223400 CPU: 6702.89, 0.00296661/step Wall: 6702.89, 0.00296661/step, 2.28808 hours remaining, 211.195312 MB of memory in use. ENERGY: 2223400 705.1051 2106.5147 1944.7248 102.8688 -206396.7379 17700.0146 0.0000 0.0000 34244.4156 -149593.0944 299.0650 -183837.5099 -149496.3695 298.7742 -117.9117 -85.6118 556842.8300 7.7924 7.7096 PRESSURE: 2223600 -243.801 76.1634 -37.5049 76.1626 -60.1454 39.2159 -37.5043 39.2164 -177.965 GPRESSURE: 2223600 -122.783 145.037 -68.8538 2.85664 -73.625 101.075 -94.1226 20.888 -186.364 PRESSAVG: 2223600 32.5608 -14.0456 -15.2089 -14.0457 28.474 53.3819 -15.209 53.3819 -0.943175 GPRESSAVG: 2223600 31.8496 -15.5162 -14.1377 -13.4192 29.5834 55.17 -16.8027 51.1333 -1.5773 TIMING: 2223600 CPU: 6703.49, 0.00299984/step Wall: 6703.49, 0.00299984/step, 2.31355 hours remaining, 211.195312 MB of memory in use. ENERGY: 2223600 762.3366 2044.3258 1940.1861 104.6846 -206897.3348 18005.9994 0.0000 0.0000 34319.6308 -149720.1716 299.7219 -184039.8024 -149620.7866 298.5948 -160.6372 -127.5909 557300.4543 20.0305 19.9519 PRESSURE: 2223800 -155.118 -210.448 56.5268 -210.447 -167.09 197.814 56.5257 197.813 -426.602 GPRESSURE: 2223800 -216.835 -147.347 23.2833 -201.527 -123.527 190.031 94.1193 187.639 -305.694 PRESSAVG: 2223800 9.20979 -25.7569 -5.17914 -25.7569 -38.636 1.11971 -5.17916 1.11961 30.1082 GPRESSAVG: 2223800 9.23631 -25.0462 -4.70797 -26.5797 -39.0921 1.66886 -4.18352 3.2814 30.7981 TIMING: 2223800 CPU: 6704.09, 0.00298996/step Wall: 6704.09, 0.00298996/step, 2.30576 hours remaining, 211.195312 MB of memory in use. ENERGY: 2223800 727.9620 2060.6748 1948.9873 117.8771 -205793.3840 17352.8460 0.0000 0.0000 33985.8590 -149599.1778 296.8070 -183585.0368 -149504.9901 298.0783 -249.6032 -215.3520 558498.6430 0.2273 0.3141 PRESSURE: 2224000 -44.854 102.524 -149.604 102.524 57.6143 98.6169 -149.604 98.6175 18.915 GPRESSURE: 2224000 -15.09 39.5974 -159.614 154.134 142.743 55.5495 -130.119 119.134 0.349704 PRESSAVG: 2224000 -31.8106 19.8853 12.2378 19.8853 5.71115 -40.5666 12.2378 -40.5666 -2.00642 GPRESSAVG: 2224000 -31.4064 17.8869 11.7711 19.5618 5.67646 -41.8101 12.1623 -38.4609 -2.6744 TIMING: 2224000 CPU: 6704.69, 0.00300838/step Wall: 6704.69, 0.00300838/step, 2.31979 hours remaining, 211.195312 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: 2224000 749.5200 2114.5587 1948.9672 127.1197 -206374.1858 17781.7747 0.0000 0.0000 34250.1054 -149402.1400 299.1147 -183652.2454 -149304.7089 298.0667 10.5584 42.6675 557375.6262 -9.3686 -9.4681 PRESSURE: 2224200 -77.9694 27.4676 72.4826 27.467 238.506 -38.7936 72.4819 -38.793 -137.754 GPRESSURE: 2224200 -40.2803 -10.3096 29.6597 46.6635 268.885 -29.5258 146.414 -120.998 -106.659 PRESSAVG: 2224200 -93.3798 13.578 58.5461 13.5779 49.726 13.6172 58.5461 13.6172 1.4372 GPRESSAVG: 2224200 -92.83 13.0956 58.9202 15.1706 49.9583 13.2083 58.6619 10.2701 1.29214 TIMING: 2224200 CPU: 6705.29, 0.00299236/step Wall: 6705.29, 0.00299236/step, 2.30727 hours remaining, 211.195312 MB of memory in use. ENERGY: 2224200 778.4561 2084.2686 1954.3854 104.8061 -206514.4446 18005.0235 0.0000 0.0000 34213.4276 -149374.0773 298.7944 -183587.5049 -149279.6512 298.8886 7.5942 40.6487 558377.1054 -14.0722 -13.8599 LDB: ============= START OF LOAD BALANCING ============== 6708.81 LDB: ============== END OF LOAD BALANCING =============== 6708.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6708.81 LDB: ============= START OF LOAD BALANCING ============== 6709.11 LDB: Largest compute 4772 load 0.027798 is 23.6% of average load 0.117925 LDB: Average compute 0.001729 is 1.5% of average load 0.117925 LDB: TIME 6709.11 LOAD: AVG 0.117925 MAX 0.205533 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.84 MB LDB: TIME 6709.11 LOAD: AVG 0.117925 MAX 0.205533 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.84 MB LDB: TIME 6709.11 LOAD: AVG 0.117925 MAX 0.205533 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.84 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6709.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6709.12 PRESSURE: 2224400 -282.319 67.89 2.39904 67.8895 -98.9272 -46.579 2.39856 -46.5784 -68.5924 GPRESSURE: 2224400 -196.432 65.7371 92.0541 -46.0972 -60.1897 -106.05 -38.7285 30.3927 -96.2741 PRESSAVG: 2224400 28.9928 72.7883 54.4978 72.7882 18.8723 -5.12858 54.4978 -5.12858 -51.833 GPRESSAVG: 2224400 28.314 72.7686 53.5021 74.0643 19.0172 -3.83216 55.2327 -3.46782 -51.0937 TIMING: 2224400 CPU: 6705.9, 0.00305205/step Wall: 6705.9, 0.00305205/step, 2.35313 hours remaining, 209.031250 MB of memory in use. ENERGY: 2224400 738.5733 2088.3601 1966.5474 123.3400 -205814.6076 17474.6346 0.0000 0.0000 34005.2503 -149417.9019 296.9763 -183423.1522 -149317.9075 298.8229 -149.9463 -117.6319 559206.5055 -1.3226 -1.2542 PRESSURE: 2224600 -139.47 12.1572 -23.2633 12.1561 85.812 174.168 -23.2638 174.167 229.759 GPRESSURE: 2224600 -123.092 94.9345 105.938 -66.8014 173.548 89.0365 -56.1078 155.028 214.216 PRESSAVG: 2224600 -65.0373 41.0471 18.1737 41.0471 29.4767 10.4652 18.1737 10.4652 45.4521 GPRESSAVG: 2224600 -66.4949 43.7383 19.5621 38.5311 30.3939 12.1085 16.2518 8.79082 45.5446 TIMING: 2224600 CPU: 6706.5, 0.00300533/step Wall: 6706.5, 0.00300533/step, 2.31694 hours remaining, 209.550781 MB of memory in use. ENERGY: 2224600 741.3696 2121.3807 1947.1593 121.9183 -206513.6504 17994.7282 0.0000 0.0000 34087.4793 -149499.6149 297.6944 -183587.0942 -149398.2921 297.8159 58.7002 88.2244 557835.3898 3.2972 3.1479 PRESSURE: 2224800 -122.852 64.5875 -0.421697 64.5881 -164.463 -44.7898 -0.421274 -44.7898 -371.102 GPRESSURE: 2224800 -130.309 88.3081 85.8738 114.613 -133.962 -7.00984 -112.983 -34.1233 -278.191 PRESSAVG: 2224800 -26.5443 29.0118 -11.6325 29.0118 19.0186 54.9514 -11.6326 54.9514 12.6042 GPRESSAVG: 2224800 -25.2156 27.1883 -11.0413 29.7048 18.728 51.9715 -11.2736 57.0905 11.9537 TIMING: 2224800 CPU: 6707.1, 0.00298153/step Wall: 6707.1, 0.00298153/step, 2.29843 hours remaining, 209.550781 MB of memory in use. ENERGY: 2224800 738.1435 2130.5681 1941.4716 119.6524 -206331.5625 17771.4852 0.0000 0.0000 34032.0795 -149598.1622 297.2106 -183630.2417 -149506.6900 298.1906 -219.4721 -180.8205 559233.7423 1.6928 1.8221 PRESSURE: 2225000 30.3416 29.7904 79.1229 29.7904 -105.435 -88.0062 79.1223 -88.0082 -360.328 GPRESSURE: 2225000 18.3783 -2.674 28.0277 44.1812 -16.1669 -72.6567 200.651 -155.744 -339.712 PRESSAVG: 2225000 11.6319 58.5209 -4.99711 58.5209 12.528 -3.78095 -4.99711 -3.78091 -28.273 GPRESSAVG: 2225000 10.5595 59.8724 -4.55518 57.0329 12.6254 -2.00091 -6.21647 -4.66165 -26.9319 TIMING: 2225000 CPU: 6707.7, 0.00299873/step Wall: 6707.7, 0.00299873/step, 2.31152 hours remaining, 209.550781 MB of memory in use. ENERGY: 2225000 783.0037 2072.0455 1956.6454 121.7873 -206254.3186 17726.1726 0.0000 0.0000 34138.3505 -149456.3136 298.1387 -183594.6641 -149357.8971 298.8082 -145.1406 -112.5001 558212.0904 -1.3710 -1.2490 PRESSURE: 2225200 -110.658 -185.843 -31.8905 -185.843 7.20346 68.1479 -31.89 68.148 4.35116 GPRESSURE: 2225200 -87.3139 -252.222 -137.654 -143.661 20.0843 16.3613 55.5366 55.1165 55.9507 PRESSAVG: 2225200 67.8318 29.1623 -40.502 29.1622 -69.2672 -6.71089 -40.5021 -6.71102 29.4663 GPRESSAVG: 2225200 67.7611 25.9541 -41.5107 30.5191 -69.9737 -5.78587 -37.7744 -8.30095 29.6462 TIMING: 2225200 CPU: 6708.3, 0.0030089/step Wall: 6708.3, 0.0030089/step, 2.31919 hours remaining, 209.550781 MB of memory in use. ENERGY: 2225200 742.0354 2084.9981 1919.1137 101.5086 -206168.3166 17783.5026 0.0000 0.0000 34244.1514 -149293.0068 299.0627 -183537.1581 -149198.0228 299.0655 -33.0343 -3.7597 558832.5069 9.3436 9.1445 PRESSURE: 2225400 -81.3518 71.3201 52.8547 71.3203 -136.902 3.94872 52.8554 3.94921 -276.438 GPRESSURE: 2225400 -20.6154 104.541 20.0145 99.3818 -165.264 -85.7166 106.085 93.967 -212.833 PRESSAVG: 2225400 -44.7143 27.3554 5.58775 27.3555 -1.40036 39.9376 5.58766 39.9375 -6.40225 GPRESSAVG: 2225400 -44.6449 28.5653 4.49284 27.3464 -2.32917 36.8471 4.45794 43.1134 -5.61327 TIMING: 2225400 CPU: 6708.9, 0.00299649/step Wall: 6708.9, 0.00299649/step, 2.30946 hours remaining, 209.550781 MB of memory in use. ENERGY: 2225400 719.7174 2051.6659 1969.5728 110.3846 -205928.1794 17661.5259 0.0000 0.0000 34332.6193 -149082.6934 299.8353 -183415.3127 -148981.2700 300.0336 -164.8973 -132.9041 560253.1395 -17.5056 -17.5291 PRESSURE: 2225600 81.5659 -97.1301 151.63 -97.1292 -159.49 161.799 151.63 161.799 396.474 GPRESSURE: 2225600 109.291 -144.128 151.561 -39.9057 -94.9492 302.906 162.371 67.3903 416.708 PRESSAVG: 2225600 -62.7742 6.26398 -30.2456 6.26399 -58.7141 6.51224 -30.2455 6.51219 125.965 GPRESSAVG: 2225600 -63.5214 7.40688 -29.9512 8.32619 -56.7939 8.7047 -30.2097 5.37175 124.668 TIMING: 2225600 CPU: 6709.5, 0.00299682/step Wall: 6709.5, 0.00299682/step, 2.30955 hours remaining, 209.550781 MB of memory in use. ENERGY: 2225600 769.3401 2108.8776 1935.5787 110.1020 -206335.5051 17948.5842 0.0000 0.0000 34373.7423 -149089.2801 300.1944 -183463.0225 -148990.2734 298.9178 106.1832 143.6831 556735.4847 1.4923 1.4509 PRESSURE: 2225800 270.415 -20.8155 -26.0979 -20.8164 -13.0685 -164.196 -26.0988 -164.196 215.594 GPRESSURE: 2225800 279.174 5.01173 -19.1171 -43.5895 11.735 -184.966 -41.0392 -121.762 283.353 PRESSAVG: 2225800 -39.888 9.94456 36.4143 9.94461 -34.7513 -1.38959 36.4143 -1.38964 81.7626 GPRESSAVG: 2225800 -39.5411 11.2462 35.2283 7.0513 -35.7501 -3.01446 37.117 -1.69644 81.7567 TIMING: 2225800 CPU: 6710.1, 0.00301713/step Wall: 6710.1, 0.00301713/step, 2.32503 hours remaining, 209.550781 MB of memory in use. ENERGY: 2225800 745.0822 2108.5803 1934.2875 111.7486 -206724.9703 18123.6414 0.0000 0.0000 34392.3483 -149309.2820 300.3569 -183701.6304 -149214.1357 299.5770 157.6469 191.4206 557379.6573 2.3744 2.1552 PRESSURE: 2226000 62.6077 -149.408 -61.5258 -149.407 86.9926 31.5881 -61.5256 31.5879 35.8733 GPRESSURE: 2226000 85.1258 -157.5 -30.4669 -192.381 97.0363 64.8126 -35.3678 47.4442 80.5951 PRESSAVG: 2226000 31.8839 -4.65536 11.2961 -4.65546 -12.6395 -112.214 11.296 -112.214 39.3753 GPRESSAVG: 2226000 32.1833 -7.55804 14.3497 -3.44495 -13.8643 -113.5 8.86699 -111.974 39.5725 TIMING: 2226000 CPU: 6710.7, 0.00301092/step Wall: 6710.7, 0.00301092/step, 2.32008 hours remaining, 209.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2226000 707.1317 2110.3797 1936.4337 117.0762 -206107.7689 17763.2508 0.0000 0.0000 34240.4371 -149233.0597 299.0303 -183473.4968 -149137.4548 299.5582 61.8245 87.5857 558195.3415 19.5399 19.2972 PRESSURE: 2226200 140.783 -108.547 -15.3644 -108.548 44.186 91.7999 -15.3657 91.8015 67.8943 GPRESSURE: 2226200 172.938 -157.156 -4.06058 -25.2852 65.6486 79.5745 -43.0665 47.6429 89.1515 PRESSAVG: 2226200 -39.9621 -28.4256 -36.1484 -28.4256 2.11311 -39.2765 -36.1485 -39.2765 20.0131 GPRESSAVG: 2226200 -40.0336 -26.9172 -38.8939 -28.2261 3.35725 -36.9409 -34.3675 -39.054 19.2332 TIMING: 2226200 CPU: 6711.31, 0.00304533/step Wall: 6711.31, 0.00304533/step, 2.34643 hours remaining, 209.550781 MB of memory in use. ENERGY: 2226200 747.4001 2085.2989 1940.1864 108.7335 -206229.6610 17930.0605 0.0000 0.0000 34184.2295 -149233.7520 298.5394 -183417.9815 -149143.1694 299.5038 84.2878 109.2460 557911.2020 -5.9453 -5.8144 PRESSURE: 2226400 -163.303 7.42003 105.561 7.42125 -139.726 -40.0955 105.561 -40.0939 -67.3292 GPRESSURE: 2226400 -94.3816 45.6395 103.57 -10.1591 -148.212 -78.8197 153.927 7.66219 -42.4105 PRESSAVG: 2226400 -15.0928 25.6377 -19.8544 25.6377 -52.8574 -12.9092 -19.8545 -12.9092 30.6084 GPRESSAVG: 2226400 -14.9411 23.0939 -20.0608 27.8273 -53.833 -12.7937 -20.1059 -11.8306 31.3851 TIMING: 2226400 CPU: 6711.92, 0.00302752/step Wall: 6711.92, 0.00302752/step, 2.33253 hours remaining, 209.550781 MB of memory in use. ENERGY: 2226400 771.4876 2070.2360 1916.3371 107.2873 -206103.3586 17609.8959 0.0000 0.0000 34256.4171 -149371.6976 299.1698 -183628.1147 -149276.8281 298.7053 -123.4527 -95.0015 558266.9106 -12.4473 -12.4630 PRESSURE: 2226600 -151.332 -73.1207 121.293 -73.1208 -128.79 7.0652 121.292 7.06561 -94.2941 GPRESSURE: 2226600 -70.8164 -90.8362 139.033 -97.9579 -115.705 -51.0508 70.9497 -19.5411 -94.2695 PRESSAVG: 2226600 -3.54725 -38.4905 -13.949 -38.4904 -3.36325 11.528 -13.949 11.528 13.8665 GPRESSAVG: 2226600 -3.85044 -36.204 -12.2071 -40.8604 -2.90975 13.5062 -14.9646 10.1528 13.5549 TIMING: 2226600 CPU: 6712.52, 0.003026/step Wall: 6712.52, 0.003026/step, 2.3312 hours remaining, 209.550781 MB of memory in use. ENERGY: 2226600 743.5696 2149.9781 1917.1567 132.0392 -205866.2456 17460.5345 0.0000 0.0000 34078.1859 -149384.7815 297.6133 -183462.9674 -149293.0718 298.6315 -124.8056 -93.5970 557580.0457 2.3187 2.2649 PRESSURE: 2226800 8.37024 -37.8721 42.8508 -37.8725 99.6373 -123.482 42.8517 -123.483 -148.658 GPRESSURE: 2226800 67.9533 3.30812 -15.2471 -30.3352 115.541 -93.1041 88.3103 -56.6568 -139.6 PRESSAVG: 2226800 59.6759 18.7398 -15.0443 18.7398 -32.8894 49.9092 -15.0443 49.9091 -17.8078 GPRESSAVG: 2226800 60.3538 17.8727 -15.538 18.6427 -33.3775 47.241 -13.6602 50.808 -18.4555 TIMING: 2226800 CPU: 6713.13, 0.00302992/step Wall: 6713.13, 0.00302992/step, 2.33405 hours remaining, 209.550781 MB of memory in use. ENERGY: 2226800 726.8112 2067.9652 1964.0653 128.1209 -206262.8101 17875.1001 0.0000 0.0000 34141.5028 -149359.2446 298.1662 -183500.7474 -149256.3483 299.2071 -13.5503 14.6312 556575.7184 2.9929 2.8403 PRESSURE: 2227000 -211.237 -182.165 -20.6883 -182.166 -23.4854 -9.00277 -20.6873 -9.00067 -205.744 GPRESSURE: 2227000 -178.794 -229.757 -63.5686 -143.514 9.5733 -10.7365 -36.9584 39.7073 -182.943 PRESSAVG: 2227000 -15.9082 -12.4864 7.41752 -12.4865 39.2495 15.0952 7.41764 15.0953 -21.2323 GPRESSAVG: 2227000 -17 -10.3558 6.84564 -12.5083 40.0094 15.6725 6.76089 13.7859 -20.3315 TIMING: 2227000 CPU: 6713.74, 0.00303359/step Wall: 6713.74, 0.00303359/step, 2.33671 hours remaining, 209.550781 MB of memory in use. ENERGY: 2227000 766.2080 2041.6132 1937.4685 110.7397 -206191.5439 17673.5081 0.0000 0.0000 34397.6243 -149264.3821 300.4030 -183662.0064 -149170.9883 299.4953 -146.8220 -117.3880 557391.5439 0.7030 0.8926 PRESSURE: 2227200 53.4398 -140.496 -90.2216 -140.498 76.823 15.912 -90.2224 15.9137 48.8179 GPRESSURE: 2227200 99.9121 -138.271 -170.125 -204.391 59.435 -0.0637944 -20.5587 67.696 125.252 PRESSAVG: 2227200 -71.9462 -14.1548 30.8345 -14.1548 -6.2646 -46.3456 30.8346 -46.3456 36.2565 GPRESSAVG: 2227200 -71.3107 -14.715 32.2848 -15.5838 -6.85742 -44.8847 31.897 -44.9251 36.4662 TIMING: 2227200 CPU: 6714.34, 0.00300899/step Wall: 6714.34, 0.00300899/step, 2.31759 hours remaining, 209.550781 MB of memory in use. ENERGY: 2227200 770.8194 2095.2239 1922.5052 118.3876 -206613.4974 18108.2468 0.0000 0.0000 34279.5741 -149318.7403 299.3720 -183598.3145 -149221.2951 299.3909 59.6935 94.8665 557362.5766 -13.9848 -13.9006 PRESSURE: 2227400 -422.291 127.06 -157.938 127.059 79.5149 -84.8029 -157.938 -84.802 -353.822 GPRESSURE: 2227400 -381.157 96.3848 -75.7654 139.236 110.6 -6.47229 -167.686 -166.235 -329.906 PRESSAVG: 2227400 -124.986 17.6758 9.43629 17.6758 77.8195 -43.7143 9.43617 -43.7142 24.7718 GPRESSAVG: 2227400 -125.641 14.848 10.7192 19.2712 79.3802 -47.8662 7.25924 -43.0754 24.1792 TIMING: 2227400 CPU: 6714.94, 0.00303047/step Wall: 6714.94, 0.00303047/step, 2.33397 hours remaining, 209.550781 MB of memory in use. ENERGY: 2227400 752.6370 2116.8762 1931.3110 106.4971 -206302.7692 17703.0316 0.0000 0.0000 34550.2221 -149142.1942 301.7357 -183692.4163 -149045.8358 299.4205 -232.1992 -200.1542 560519.4662 -7.4650 -7.3604 PRESSURE: 2227600 157.338 -162.011 106.56 -162.012 215.732 114.406 106.559 114.405 266.661 GPRESSURE: 2227600 184.779 -145.804 44.9949 -172.058 269.982 -42.4743 102.352 180.473 280.241 PRESSAVG: 2227600 -52.7448 22.5638 25.1299 22.5638 61.4218 -16.0566 25.1299 -16.0566 -8.50639 GPRESSAVG: 2227600 -52.5541 25.1459 23.2283 21.9474 60.7302 -15.8504 26.3144 -19.3849 -8.11415 TIMING: 2227600 CPU: 6715.55, 0.00304199/step Wall: 6715.55, 0.00304199/step, 2.34267 hours remaining, 209.550781 MB of memory in use. ENERGY: 2227600 743.3132 2103.8402 1944.6067 102.7915 -206162.5044 18006.2001 0.0000 0.0000 34223.4989 -149038.2539 298.8823 -183261.7528 -148938.6561 299.9841 213.2439 245.0005 558524.2290 0.0569 0.0206 PRESSURE: 2227800 -121.607 12.4874 -56.5717 12.486 -259.446 116.888 -56.5728 116.887 -105.636 GPRESSURE: 2227800 -73.248 15.3205 -25.7 11.9041 -175.112 81.0689 -60.6174 108.08 -149.634 PRESSAVG: 2227800 -34.8125 3.70549 -11.3903 3.70551 35.4496 -9.13099 -11.3904 -9.13098 31.7404 GPRESSAVG: 2227800 -34.9467 2.23398 -10.7478 5.52309 35.8036 -7.50775 -11.7445 -7.65237 31.4035 TIMING: 2227800 CPU: 6716.16, 0.00301322/step Wall: 6716.16, 0.00301322/step, 2.32035 hours remaining, 209.550781 MB of memory in use. ENERGY: 2227800 761.0020 2096.2462 1915.6918 119.6788 -206009.1873 17695.8248 0.0000 0.0000 34393.1372 -149027.6066 300.3638 -183420.7438 -148923.6806 300.1386 -162.2298 -132.6647 558620.5201 10.7925 10.7534 PRESSURE: 2228000 -118.273 110.069 -65.3196 110.07 144.657 47.6049 -65.3213 47.6054 98.6427 GPRESSURE: 2228000 -91.9472 127.939 -35.9279 116.014 151.975 136.21 40.7912 40.7538 162.689 PRESSAVG: 2228000 38.8059 13.2478 -27.7163 13.2478 -50.7177 9.37013 -27.7164 9.37023 5.64896 GPRESSAVG: 2228000 38.1968 14.0427 -28.1341 11.9034 -50.7792 8.60609 -27.2148 8.92477 6.27781 TIMING: 2228000 CPU: 6716.76, 0.0030351/step Wall: 6716.76, 0.0030351/step, 2.33703 hours remaining, 209.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2228000 737.6905 2093.3057 1925.3152 114.1487 -206116.8901 17858.9551 0.0000 0.0000 34290.6027 -149096.8722 299.4684 -183387.4749 -148996.7481 300.0324 41.6756 74.2389 557639.7081 -2.0876 -2.1015 PRESSURE: 2228200 156.272 63.7084 254.225 63.7087 -92.6813 -73.9443 254.225 -73.946 18.7968 GPRESSURE: 2228200 174.12 78.179 247.43 115.52 -60.9232 -65.1054 219.436 -40.6516 58.0711 PRESSAVG: 2228200 -71.833 4.4489 21.1928 4.44882 -7.92976 23.6566 21.1928 23.6565 55.0697 GPRESSAVG: 2228200 -70.5294 3.4653 19.8919 4.55153 -10.3102 23.4322 22.2977 25.7384 55.5304 TIMING: 2228200 CPU: 6717.37, 0.00303383/step Wall: 6717.37, 0.00303383/step, 2.33588 hours remaining, 209.550781 MB of memory in use. ENERGY: 2228200 770.3638 2170.5238 1915.7243 121.1532 -206581.9983 18053.0486 0.0000 0.0000 34442.3250 -149108.8595 300.7934 -183551.1846 -149018.9652 300.2254 27.4625 57.0893 558031.3667 -8.2310 -8.4364 LDB: ============= START OF LOAD BALANCING ============== 6720.89 LDB: ============== END OF LOAD BALANCING =============== 6720.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6720.89 LDB: ============= START OF LOAD BALANCING ============== 6721.19 LDB: Largest compute 4800 load 0.029746 is 25.2% of average load 0.118010 LDB: Average compute 0.001734 is 1.5% of average load 0.118010 LDB: TIME 6721.19 LOAD: AVG 0.11801 MAX 0.204257 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.246 MB LDB: TIME 6721.19 LOAD: AVG 0.11801 MAX 0.204257 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.449 MB LDB: TIME 6721.19 LOAD: AVG 0.11801 MAX 0.204257 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.449 MB LDB: ============== END OF LOAD BALANCING =============== 6721.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6721.2 PRESSURE: 2228400 -47.05 111.131 -60.4091 111.132 288.15 233.221 -60.4093 233.222 35.1413 GPRESSURE: 2228400 66.8363 88.0853 42.268 33.8609 349.496 147.071 -66.7834 317.76 -48.4909 PRESSAVG: 2228400 10.2216 -25.9549 1.9417 -25.955 12.3034 -32.0681 1.94164 -32.0682 -62.4148 GPRESSAVG: 2228400 9.41838 -22.7015 4.82055 -26.5085 13.281 -32.4495 -0.747071 -31.2263 -62.4806 TIMING: 2228400 CPU: 6717.98, 0.00307173/step Wall: 6717.98, 0.00307173/step, 2.36489 hours remaining, 210.222656 MB of memory in use. ENERGY: 2228400 769.7822 2110.6991 1925.8050 111.8475 -206219.8656 17994.8853 0.0000 0.0000 34045.4343 -149261.4123 297.3272 -183306.8466 -149173.1500 299.6144 92.0803 122.6137 557826.6404 -13.2966 -13.2604 PRESSURE: 2228600 266.783 40.4295 -211.63 40.4296 89.9782 -106.404 -211.629 -106.405 -189.438 GPRESSURE: 2228600 264.106 -31.9666 -242.103 58.2609 143.382 -80.0488 -260.764 -75.44 -128.584 PRESSAVG: 2228600 -43.3744 21.1437 24.3734 21.1438 56.3683 -15.562 24.3733 -15.562 -29.4832 GPRESSAVG: 2228600 -43.053 18.773 23.2148 20.7005 56.5886 -13.0378 23.9909 -19.6473 -29.9402 TIMING: 2228600 CPU: 6718.59, 0.00301945/step Wall: 6718.59, 0.00301945/step, 2.32448 hours remaining, 210.425781 MB of memory in use. ENERGY: 2228600 783.4839 2096.6154 1960.6903 121.5204 -206728.5277 18038.0501 0.0000 0.0000 34276.8313 -149451.3363 299.3481 -183728.1676 -149362.2762 298.8015 55.7742 92.9681 556390.0528 -5.4964 -5.4682 PRESSURE: 2228800 -43.8053 -88.0521 24.0559 -88.0526 -61.9363 61.3967 24.0536 61.3952 21.2387 GPRESSURE: 2228800 39.0262 -114.455 -25.536 -53.2402 -76.279 -38.0045 28.034 105.824 36.6699 PRESSAVG: 2228800 -44.4473 12.1047 -59.7411 12.1046 56.2847 9.14041 -59.7411 9.1404 -30.8041 GPRESSAVG: 2228800 -45.2868 13.528 -58.6615 13.9406 55.7091 7.02316 -58.137 11.1373 -30.3962 TIMING: 2228800 CPU: 6719.19, 0.00302415/step Wall: 6719.19, 0.00302415/step, 2.32792 hours remaining, 210.425781 MB of memory in use. ENERGY: 2228800 737.3240 2061.2444 1900.9795 109.4125 -206175.0206 17668.3210 0.0000 0.0000 34240.6857 -149457.0535 299.0324 -183697.7391 -149364.8843 299.1929 -28.1676 -0.1943 555774.6091 -6.3222 -6.6580 PRESSURE: 2229000 38.311 -36.1848 157.946 -36.185 81.1775 120.507 157.947 120.507 -98.5639 GPRESSURE: 2229000 65.3687 -54.9199 156.618 -53.5842 69.8954 112.253 88.0043 141.597 -21.0576 PRESSAVG: 2229000 -18.667 53.0521 -20.9105 53.052 -25.1867 33.1931 -20.9106 33.1931 28.8596 GPRESSAVG: 2229000 -19.5036 52.9937 -22.5881 52.7788 -24.3559 29.7571 -20.6466 34.9178 29.1352 TIMING: 2229000 CPU: 6719.79, 0.00301341/step Wall: 6719.79, 0.00301341/step, 2.31949 hours remaining, 210.425781 MB of memory in use. ENERGY: 2229000 712.6866 2068.3504 1926.2084 101.0237 -206182.4366 17632.1711 0.0000 0.0000 34202.4045 -149539.5920 298.6981 -183741.9965 -149437.5398 298.4455 6.9749 38.0688 555465.7436 -4.9980 -4.9081 PRESSURE: 2229200 -298.652 124.994 8.13168 124.995 -295.003 10.8401 8.13192 10.8379 -74.5561 GPRESSURE: 2229200 -325.879 171.768 -1.70194 -13.8438 -243.263 59.5816 22.7944 -4.28438 -14.8409 PRESSAVG: 2229200 1.3263 -9.09748 -43.6346 -9.09741 -11.8375 -31.7048 -43.6346 -31.7048 14.0845 GPRESSAVG: 2229200 2.92802 -7.50127 -44.7708 -9.41857 -13.0642 -25.1291 -42.4495 -35.3272 13.7637 TIMING: 2229200 CPU: 6720.4, 0.00303397/step Wall: 6720.4, 0.00303397/step, 2.33514 hours remaining, 210.425781 MB of memory in use. ENERGY: 2229200 761.4956 2046.9126 1906.8382 115.6084 -205949.7991 17405.8121 0.0000 0.0000 33964.1405 -149748.9917 296.6173 -183713.1322 -149646.0390 298.2156 -222.7370 -194.6609 556700.6579 1.1911 1.2092 PRESSURE: 2229400 -47.4853 -147.295 89.031 -147.296 16.5233 -5.32176 89.0295 -5.32293 70.1587 GPRESSURE: 2229400 -104.104 -139.833 83.5743 -58.0482 139.59 -37.4096 25.0768 -66.7738 102.097 PRESSAVG: 2229400 38.8262 -47.658 -27.0093 -47.6579 -81.7645 -9.84161 -27.0092 -9.8415 61.6391 GPRESSAVG: 2229400 36.7165 -46.9439 -26.1195 -49.2877 -80.1983 -11.5377 -28.0889 -9.91503 61.8687 TIMING: 2229400 CPU: 6721, 0.00300871/step Wall: 6721, 0.00300871/step, 2.31553 hours remaining, 210.425781 MB of memory in use. ENERGY: 2229400 721.3545 2062.5842 1917.5976 121.5545 -206816.8953 17924.6141 0.0000 0.0000 34373.6723 -149695.5181 300.1938 -184069.1903 -149606.5238 298.2970 13.0656 45.8609 555715.5824 6.2336 6.1290 PRESSURE: 2229600 21.7746 22.4606 56.4604 22.4614 -136.577 -118.511 56.4604 -118.512 -10.5402 GPRESSURE: 2229600 97.5386 -36.1876 45.5981 53.8027 -147.319 -191.509 101.284 -142.098 34.422 PRESSAVG: 2229600 9.03241 -39.9901 -43.2177 -39.9902 37.4733 5.82197 -43.2177 5.82189 9.6674 GPRESSAVG: 2229600 10.7742 -40.8389 -41.0103 -40.1978 37.7244 5.09625 -45.0708 6.97425 7.66888 TIMING: 2229600 CPU: 6721.61, 0.00301071/step Wall: 6721.61, 0.00301071/step, 2.3169 hours remaining, 210.425781 MB of memory in use. ENERGY: 2229600 710.1205 2078.5984 1929.4433 98.5484 -206813.7936 17964.0833 0.0000 0.0000 34175.6920 -149857.3077 298.4648 -184032.9997 -149759.8861 298.2849 -41.7809 -5.1195 556137.8955 18.7244 18.7225 PRESSURE: 2229800 -125.699 -197.095 -10.5936 -197.095 -41.5709 38.4918 -10.595 38.4921 -140.996 GPRESSURE: 2229800 -80.7938 -185.985 44.9652 -252.777 12.2694 57.1248 63.1943 99.462 -151.771 PRESSAVG: 2229800 -26.741 -74.61 49.2511 -74.61 25.6168 23.6409 49.2511 23.6409 25.3729 GPRESSAVG: 2229800 -26.5865 -78.1432 47.1007 -73.3936 23.9876 22.8656 50.8494 23.0553 27.3572 TIMING: 2229800 CPU: 6722.21, 0.00302013/step Wall: 6722.21, 0.00302013/step, 2.32399 hours remaining, 210.425781 MB of memory in use. ENERGY: 2229800 743.0142 2103.6416 1940.1589 105.8746 -206882.7070 17916.9098 0.0000 0.0000 34339.9616 -149733.1461 299.8994 -184073.1078 -149635.2513 298.3638 -102.7554 -73.4319 555455.7747 8.0829 8.2528 PRESSURE: 2230000 7.00255 -133.472 44.2625 -133.471 31.9788 -116.287 44.2618 -116.286 -155.832 GPRESSURE: 2230000 -15.6579 -34.9708 125.36 -168.746 102.122 1.56549 -53.2627 -113.571 -107.092 PRESSAVG: 2230000 -16.9579 -64.2858 8.01009 -64.2857 19.8461 25.3544 8.01013 25.3544 36.9858 GPRESSAVG: 2230000 -17.4893 -61.9278 6.81931 -66.7641 21.5309 24.2243 8.77618 25.9221 35.444 TIMING: 2230000 CPU: 6722.81, 0.00302257/step Wall: 6722.81, 0.00302257/step, 2.3257 hours remaining, 210.425781 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: 2230000 745.8967 2094.2263 1930.6319 119.1082 -206487.7535 17668.6097 0.0000 0.0000 34187.8019 -149741.4787 298.5706 -183929.2806 -149639.0226 297.7178 -38.9501 -6.8759 554481.1097 13.2913 13.1619 PRESSURE: 2230200 -107.581 -16.5624 -37.4337 -16.5623 -173.026 -233.167 -37.433 -233.167 -151.393 GPRESSURE: 2230200 4.21706 100.127 -161.711 -3.59817 -175.895 -169.704 -9.99572 -215.462 -175.072 PRESSAVG: 2230200 15.3219 41.5553 15.0306 41.5552 -4.13577 -0.100972 15.0306 -0.101009 -19.6829 GPRESSAVG: 2230200 16.2111 41.8331 16.4102 43.3351 -6.13004 1.21408 13.459 0.14848 -18.9274 TIMING: 2230200 CPU: 6723.42, 0.00301962/step Wall: 6723.42, 0.00301962/step, 2.32326 hours remaining, 210.425781 MB of memory in use. ENERGY: 2230200 746.5195 2018.8180 1946.6944 109.1293 -206377.0401 17749.0440 0.0000 0.0000 33995.3287 -149811.5062 296.8897 -183806.8349 -149711.9067 297.5275 -143.9999 -115.5833 557767.2760 -2.8323 -2.9488 PRESSURE: 2230400 -209.27 -101.274 103.624 -101.274 -497.364 30.5729 103.624 30.5734 -319.537 GPRESSURE: 2230400 -216.094 -22.9406 90.5708 -122.051 -441.427 57.7357 69.9739 -3.38429 -277.648 PRESSAVG: 2230400 49.851 19.4949 12.1499 19.4951 -45.8458 -19.7775 12.1498 -19.7775 -4.20056 GPRESSAVG: 2230400 48.4574 18.0514 11.3649 20.3664 -44.78 -18.9652 13.9607 -21.8516 -3.84375 TIMING: 2230400 CPU: 6724.02, 0.00302969/step Wall: 6724.02, 0.00302969/step, 2.33084 hours remaining, 210.425781 MB of memory in use. ENERGY: 2230400 774.1801 2060.3187 1904.1648 115.5403 -206363.0628 17460.8362 0.0000 0.0000 34306.5874 -149741.4354 299.6080 -184048.0228 -149645.7165 297.2942 -342.0568 -311.7230 557829.4993 -0.0651 -0.0554 PRESSURE: 2230600 207.581 117.34 93.0973 117.34 116.176 65.0191 93.0985 65.0199 -9.59949 GPRESSURE: 2230600 186.773 36.3064 156.238 90.3199 159.258 47.9949 -24.1556 134.209 68.6757 PRESSAVG: 2230600 -56.1082 -1.20592 35.1895 -1.20579 44.6329 43.129 35.1896 43.129 1.15358 GPRESSAVG: 2230600 -54.7394 -0.653052 37.4218 -1.94791 44.3463 42.8199 32.0987 43.3876 0.514504 TIMING: 2230600 CPU: 6724.63, 0.00303419/step Wall: 6724.63, 0.00303419/step, 2.33413 hours remaining, 210.425781 MB of memory in use. ENERGY: 2230600 739.7392 2079.5909 1926.4072 110.7190 -206579.4085 17826.8307 0.0000 0.0000 34242.2070 -149653.9145 299.0457 -183896.1215 -149559.1738 297.5281 104.7192 138.2353 555402.2936 -3.4406 -3.2929 PRESSURE: 2230800 -171.556 -120.599 -91.5383 -120.598 -96.7963 -26.3705 -91.5394 -26.3707 31.4843 GPRESSURE: 2230800 -173.908 -81.447 -193.645 -144.791 -55.9456 54.7639 -45.7691 -103.865 88.4654 PRESSAVG: 2230800 -24.7585 -17.7509 -39.1557 -17.7509 17.1331 -64.2207 -39.1557 -64.2207 -8.57294 GPRESSAVG: 2230800 -25.0838 -15.2344 -40.1464 -16.3731 17.0642 -61.7246 -36.2728 -63.8979 -8.14394 TIMING: 2230800 CPU: 6725.24, 0.00303093/step Wall: 6725.24, 0.00303093/step, 2.33146 hours remaining, 210.425781 MB of memory in use. ENERGY: 2230800 765.7172 2082.4428 1929.8047 107.7292 -206683.6525 17943.7865 0.0000 0.0000 34186.8217 -149667.3503 298.5620 -183854.1720 -149566.5027 298.0985 -78.9558 -47.1296 556862.3523 -5.3995 -5.3878 PRESSURE: 2231000 -198.114 111.35 108.755 111.349 -88.3323 83.183 108.754 83.1829 -294.232 GPRESSURE: 2231000 -147.777 151.637 -10.9691 -6.38834 -57.0566 42.34 125.23 141.73 -304.34 PRESSAVG: 2231000 -12.806 -49.1043 39.2632 -49.1044 40.1779 -1.75162 39.2632 -1.75151 -6.16389 GPRESSAVG: 2231000 -13.3121 -51.4332 39.1829 -52.0014 39.6029 -4.37938 38.8271 -0.430315 -5.07709 TIMING: 2231000 CPU: 6725.84, 0.00300136/step Wall: 6725.84, 0.00300136/step, 2.30855 hours remaining, 210.425781 MB of memory in use. ENERGY: 2231000 751.2128 2106.8611 1935.9220 133.5124 -206090.7188 17526.6422 0.0000 0.0000 34076.5121 -149560.0562 297.5987 -183636.5683 -149462.1799 298.3010 -193.5592 -169.7248 556849.9224 7.0694 7.0712 PRESSURE: 2231200 -200.611 -30.6961 -65.2055 -30.696 -85.1906 -63.3134 -65.2053 -63.3138 38.5568 GPRESSURE: 2231200 -226.507 3.8222 -72.5003 -6.7817 -39.5949 -137.18 -48.9972 -69.7009 115.308 PRESSAVG: 2231200 -33.1098 -29.2384 0.693536 -29.2384 59.4146 -5.33983 0.693492 -5.33983 17.0514 GPRESSAVG: 2231200 -32.4335 -29.4688 0.804343 -27.6065 60.9644 -5.00833 -0.00592474 -6.75212 15.2347 TIMING: 2231200 CPU: 6726.44, 0.00302876/step Wall: 6726.44, 0.00302876/step, 2.32945 hours remaining, 210.425781 MB of memory in use. ENERGY: 2231200 762.8998 2113.7968 1899.7817 110.0822 -206773.4600 18067.9206 0.0000 0.0000 34292.4900 -149526.4890 299.4848 -183818.9789 -149434.4351 298.7475 -82.4148 -50.2647 557967.8965 14.4521 14.5885 PRESSURE: 2231400 125.66 57.4785 -80.0659 57.4792 -72.6498 -68.9501 -80.0656 -68.9488 -25.556 GPRESSURE: 2231400 170.827 11.9459 -99.0965 49.697 -59.4681 46.3763 -102.597 -158.901 9.39367 PRESSAVG: 2231400 5.72961 -55.8521 19.7245 -55.8521 -48.1874 24.8785 19.7245 24.8783 37.5462 GPRESSAVG: 2231400 5.81313 -56.5815 20.1109 -54.7286 -49.6015 25.1641 17.521 24.4131 39.2442 TIMING: 2231400 CPU: 6727.05, 0.00301692/step Wall: 6727.05, 0.00301692/step, 2.32018 hours remaining, 210.425781 MB of memory in use. ENERGY: 2231400 766.3749 2131.0107 1908.0877 104.1964 -206427.6562 17938.6950 0.0000 0.0000 34313.4341 -149265.8575 299.6678 -183579.2916 -149167.1825 298.4851 9.1515 40.2509 557644.7582 -1.6372 -1.5147 PRESSURE: 2231600 -38.9862 -3.48485 50.1547 -3.48573 -41.5757 63.2273 50.1547 63.2279 -69.7351 GPRESSURE: 2231600 -20.8042 4.3403 93.309 28.5327 6.70508 92.5459 59.2318 23.2963 -43.5106 PRESSAVG: 2231600 81.483 -20.4492 -22.6347 -20.4492 -43.606 -23.3288 -22.6347 -23.3289 -7.43949 GPRESSAVG: 2231600 82.9542 -18.0497 -21.2759 -21.8834 -42.6805 -23.1089 -21.6361 -23.2144 -9.67833 TIMING: 2231600 CPU: 6727.65, 0.00300853/step Wall: 6727.65, 0.00300853/step, 2.31356 hours remaining, 210.425781 MB of memory in use. ENERGY: 2231600 760.3401 2095.7907 1945.2194 103.0510 -206436.1954 17972.8988 0.0000 0.0000 34330.2344 -149228.6610 299.8145 -183558.8954 -149131.4098 299.2850 -50.0990 -19.2032 557897.1499 10.1458 10.1985 PRESSURE: 2231800 -1.74194 -141.681 5.73226 -141.682 -320.992 92.8313 5.73291 92.8303 -127.697 GPRESSURE: 2231800 3.65343 -76.9625 -44.0162 -144.345 -312.386 73.9479 73.7794 97.4466 -45.594 PRESSAVG: 2231800 16.5981 -16.4991 -43.2423 -16.4991 -51.1171 30.1187 -43.2423 30.1188 58.1218 GPRESSAVG: 2231800 17.0877 -15.9737 -45.7642 -16.2243 -53.3936 27.6935 -41.467 29.7726 60.5103 TIMING: 2231800 CPU: 6728.25, 0.00300465/step Wall: 6728.25, 0.00300465/step, 2.31041 hours remaining, 210.425781 MB of memory in use. ENERGY: 2231800 757.5016 2116.7900 1919.9422 120.9677 -205982.7677 17630.8918 0.0000 0.0000 34248.5164 -149188.1582 299.1008 -183436.6746 -149087.7926 299.4568 -150.1436 -118.1087 558082.5988 7.8676 8.0681 PRESSURE: 2232000 -174.093 108.953 131.951 108.953 -89.3457 -36.0214 131.953 -36.0236 152.538 GPRESSURE: 2232000 -139.666 149.299 164.065 55.1814 -35.7085 -8.94766 91.8048 -81.1128 158.992 PRESSAVG: 2232000 12.6596 2.65638 38.8489 2.65637 -23.7249 50.5198 38.8489 50.5199 62.5996 GPRESSAVG: 2232000 11.8754 1.62248 38.206 4.49117 -21.4575 52.0411 37.0674 52.0746 61.7563 TIMING: 2232000 CPU: 6728.85, 0.00301456/step Wall: 6728.85, 0.00301456/step, 2.31786 hours remaining, 210.425781 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: 2232000 787.8370 2119.5356 1971.1478 101.2217 -206012.0713 17717.6942 0.0000 0.0000 34127.5984 -149187.0366 298.0448 -183314.6350 -149087.0370 299.5045 -36.9669 -5.4609 556762.1339 17.1781 17.3914 PRESSURE: 2232200 -55.9593 14.4419 82.2167 14.4426 -190.602 -112.911 82.2179 -112.91 -108.1 GPRESSURE: 2232200 -89.9306 83.1616 113.738 -36.5166 -91.7496 -192.734 35.3978 -41.7377 -81.7921 PRESSAVG: 2232200 -51.3134 5.60186 7.05242 5.60181 -41.0655 -47.5649 7.05247 -47.5649 80.2634 GPRESSAVG: 2232200 -51.054 7.01421 7.30337 3.1596 -41.5057 -47.08 7.80963 -48.4737 80.3103 TIMING: 2232200 CPU: 6729.45, 0.00300787/step Wall: 6729.45, 0.00300787/step, 2.31255 hours remaining, 210.425781 MB of memory in use. ENERGY: 2232200 725.2756 2155.9296 1925.2639 113.5022 -205772.3696 17496.9031 0.0000 0.0000 34455.6414 -148899.8537 300.9097 -183355.4951 -148808.5801 300.1377 -118.2204 -87.8241 557549.1732 -4.0385 -4.0831 LDB: ============= START OF LOAD BALANCING ============== 6732.97 LDB: ============== END OF LOAD BALANCING =============== 6732.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6732.97 LDB: ============= START OF LOAD BALANCING ============== 6733.28 LDB: Largest compute 4772 load 0.030636 is 26.0% of average load 0.118053 LDB: Average compute 0.001722 is 1.5% of average load 0.118053 LDB: TIME 6733.28 LOAD: AVG 0.118053 MAX 0.206445 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.027 MB LDB: TIME 6733.28 LOAD: AVG 0.118053 MAX 0.206445 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.23 MB LDB: TIME 6733.28 LOAD: AVG 0.118053 MAX 0.206445 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.23 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6733.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6733.29 PRESSURE: 2232400 0.00201961 -15.6727 -65.9382 -15.6735 -53.6005 7.61441 -65.9369 7.61489 -28.4353 GPRESSURE: 2232400 -52.924 -43.1457 -132.247 22.2498 43.5136 42.1991 37.5587 -40.8329 15.614 PRESSAVG: 2232400 18.4732 53.6876 -4.25715 53.6876 -40.7717 24.1395 -4.25712 24.1395 66.9816 GPRESSAVG: 2232400 17.7031 52.2841 -2.62037 55.4516 -39.9391 22.261 -4.87335 23.9324 67.2664 TIMING: 2232400 CPU: 6730.07, 0.0030869/step Wall: 6730.07, 0.0030869/step, 2.37314 hours remaining, 210.089844 MB of memory in use. ENERGY: 2232400 753.2707 2078.7643 1954.7348 115.0116 -206094.7397 17655.7193 0.0000 0.0000 34515.2543 -149021.9847 301.4303 -183537.2390 -148917.1813 300.7064 -27.3446 2.0679 556258.0512 14.8944 15.0101 PRESSURE: 2232600 -164.431 -105.524 -258.172 -105.524 -347.749 -57.7024 -258.171 -57.7009 -140.212 GPRESSURE: 2232600 -135.578 -30.3666 -234.621 -86.0416 -313.954 -29.3601 -194.515 -18.3196 -112.14 PRESSAVG: 2232600 -63.8981 28.46 -29.9654 28.46 -44.8826 -4.4919 -29.9653 -4.49184 96.6558 GPRESSAVG: 2232600 -64.8597 31.1413 -31.241 25.7243 -44.335 -3.02462 -29.8693 -6.1024 96.7718 TIMING: 2232600 CPU: 6730.67, 0.00301793/step Wall: 6730.67, 0.00301793/step, 2.31995 hours remaining, 210.292969 MB of memory in use. ENERGY: 2232600 764.4065 2102.0454 1940.2754 116.1846 -205919.2241 17431.2542 0.0000 0.0000 34523.3521 -149041.7058 301.5010 -183565.0579 -148947.6778 300.8861 -217.4640 -187.2239 557093.1548 -4.0416 -4.1410 PRESSURE: 2232800 -379.568 46.6198 -32.6577 46.6203 -53.4283 -41.9755 -32.6584 -41.9761 142.621 GPRESSURE: 2232800 -331.169 -50.5142 -13.6197 115.687 -24.6146 -44.848 -20.4321 -64.9005 161.132 PRESSAVG: 2232800 -42.3663 2.88601 0.633342 2.88609 -60.7185 0.276862 0.633387 0.276862 101.358 GPRESSAVG: 2232800 -41.8476 1.52491 1.53714 3.09601 -61.3518 1.32378 0.72361 0.44367 101.82 TIMING: 2232800 CPU: 6731.28, 0.00302738/step Wall: 6731.28, 0.00302738/step, 2.32705 hours remaining, 210.292969 MB of memory in use. ENERGY: 2232800 767.7050 2119.0579 1936.0756 116.0100 -206260.4309 17669.0439 0.0000 0.0000 34528.0250 -149124.5134 301.5418 -183652.5384 -149022.9558 300.6108 -96.7918 -64.8841 558173.3552 -0.5756 -0.4599 PRESSURE: 2233000 442.175 -13.6376 7.59207 -13.6376 -46.7122 58.9973 7.59102 58.9965 155.458 GPRESSURE: 2233000 539.21 28.453 6.13593 -133.599 -14.2726 5.16297 -128.691 51.6869 115.458 PRESSAVG: 2233000 4.59544 52.343 -9.86483 52.3429 -72.1341 -30.1447 -9.8648 -30.1447 65.3327 GPRESSAVG: 2233000 5.4291 51.5757 -11.42 53.201 -71.3994 -32.18 -9.26845 -27.7707 63.6874 TIMING: 2233000 CPU: 6731.89, 0.00303161/step Wall: 6731.89, 0.00303161/step, 2.33013 hours remaining, 210.292969 MB of memory in use. ENERGY: 2233000 761.3969 2110.7764 1924.1589 112.0432 -206811.4890 18208.5097 0.0000 0.0000 34495.4756 -149199.1284 301.2576 -183694.6040 -149100.3288 300.1573 183.6402 213.4649 557377.1134 -0.7353 -0.7610 PRESSURE: 2233200 -119.311 48.6277 -75.2616 48.6278 303.7 -50.1145 -75.2612 -50.1142 -109.82 GPRESSURE: 2233200 -35.3079 74.3295 -114.843 -32.8839 321.393 -121.351 -71.2509 7.72162 -131.823 PRESSAVG: 2233200 -10.442 68.2404 -57.5476 68.2405 -31.5805 -18.6614 -57.5475 -18.6614 23.6153 GPRESSAVG: 2233200 -11.8413 69.9655 -57.3307 69.1075 -32.2226 -18.1649 -59.3332 -19.6935 24.824 TIMING: 2233200 CPU: 6732.49, 0.00302022/step Wall: 6732.49, 0.00302022/step, 2.3212 hours remaining, 210.292969 MB of memory in use. ENERGY: 2233200 753.6581 2143.2578 1968.8807 115.9085 -206485.1455 17896.0838 0.0000 0.0000 34360.0227 -149247.3338 300.0746 -183607.3565 -149152.2366 299.7742 24.8562 51.4209 557513.3066 -6.1357 -6.4133 PRESSURE: 2233400 -90.1996 57.2208 -72.7557 57.2204 -209.358 162.002 -72.7558 162.004 26.565 GPRESSURE: 2233400 -148.598 6.72253 -62.2806 41.0753 -152.426 147.937 -53.7172 167.156 108.66 PRESSAVG: 2233400 -27.639 -7.26193 -24.6158 -7.26191 -2.63229 -28.0284 -24.6157 -28.0284 4.23773 GPRESSAVG: 2233400 -27.0886 -7.15241 -22.7978 -9.12271 -3.45631 -26.3813 -23.0827 -28.9903 4.01336 TIMING: 2233400 CPU: 6733.1, 0.00303538/step Wall: 6733.1, 0.00303538/step, 2.33269 hours remaining, 210.292969 MB of memory in use. ENERGY: 2233400 795.3470 2078.3010 1938.3267 113.6917 -206182.3539 17765.3637 0.0000 0.0000 34351.9926 -149139.3313 300.0045 -183491.3239 -149045.1091 299.1179 -90.9975 -64.1216 558212.3751 -8.6779 -8.8438 PRESSURE: 2233600 31.4205 -59.5596 62.315 -59.5599 18.1263 46.9344 62.3151 46.9355 -159.164 GPRESSURE: 2233600 77.8713 -29.0251 83.8238 -80.0041 -35.5513 81.4827 57.804 -54.2024 -40.9075 PRESSAVG: 2233600 -38.9558 3.39239 12.7632 3.39238 21.2049 25.7218 12.7631 25.7217 55.4159 GPRESSAVG: 2233600 -39.7216 3.23122 13.4175 5.75111 21.4282 25.4718 12.7589 26.4873 56.5304 TIMING: 2233600 CPU: 6733.7, 0.00303207/step Wall: 6733.7, 0.00303207/step, 2.32998 hours remaining, 210.292969 MB of memory in use. ENERGY: 2233600 784.0721 2111.5739 1946.7602 98.1473 -206124.2326 17853.8486 0.0000 0.0000 33980.4286 -149349.4018 296.7595 -183329.8304 -149256.7721 299.3679 -36.5391 0.4708 558420.5260 12.5550 12.7457 PRESSURE: 2233800 34.098 71.5319 -122.968 71.5315 -140.497 44.6368 -122.968 44.638 -158.619 GPRESSURE: 2233800 89.3208 118.996 -91.6074 26.8308 -93.4802 122.868 -136.189 28.1293 -175.021 PRESSAVG: 2233800 -41.1195 -28.1228 -33.5294 -28.1228 26.318 -50.0406 -33.5293 -50.0406 -44.9301 GPRESSAVG: 2233800 -41.4218 -28.7276 -34.7037 -30.7844 27.7784 -51.8052 -33.9969 -48.5545 -46.5552 TIMING: 2233800 CPU: 6734.31, 0.003023/step Wall: 6734.31, 0.003023/step, 2.32284 hours remaining, 210.292969 MB of memory in use. ENERGY: 2233800 781.4521 2119.6609 1938.9240 109.9695 -206412.8211 17803.7865 0.0000 0.0000 34355.3782 -149303.6500 300.0341 -183659.0282 -149205.5171 299.3029 -88.3394 -59.7266 557334.1310 -19.9105 -20.0662 PRESSURE: 2234000 -25.679 -166.157 132.149 -166.157 -48.2489 48.5247 132.148 48.525 55.5177 GPRESSURE: 2234000 -9.98318 -112.189 201.816 -85.8204 -28.7544 94.5011 74.5086 17.6751 114.183 PRESSAVG: 2234000 4.8545 -29.2593 -7.72326 -29.2593 38.7871 6.79021 -7.72327 6.79018 15.1455 GPRESSAVG: 2234000 4.46431 -28.8754 -7.55885 -27.5273 38.1199 7.73518 -7.91423 5.85183 16.1817 TIMING: 2234000 CPU: 6734.91, 0.00301789/step Wall: 6734.91, 0.00301789/step, 2.31875 hours remaining, 210.292969 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: 2234000 736.5924 2118.8467 1944.3730 107.7781 -206375.8787 17807.4324 0.0000 0.0000 34464.6034 -149196.2527 300.9880 -183660.8560 -149104.6182 299.9107 -6.1367 25.1485 556000.6758 19.5957 19.5886 PRESSURE: 2234200 -125.795 -15.1176 -39.242 -15.1189 84.8526 124.142 -39.2415 124.142 45.4352 GPRESSURE: 2234200 -85.4186 -75.5812 -56.8623 12.314 91.0825 104.628 -24.8714 203.752 97.7215 PRESSAVG: 2234200 -7.35129 -85.1868 -47.0751 -85.1869 40.9484 50.3541 -47.0751 50.354 -60.0645 GPRESSAVG: 2234200 -6.15982 -83.3485 -45.8992 -85.1819 39.7696 50.3122 -47.26 51.5056 -60.9417 TIMING: 2234200 CPU: 6735.52, 0.00303057/step Wall: 6735.52, 0.00303057/step, 2.32832 hours remaining, 210.292969 MB of memory in use. ENERGY: 2234200 738.9309 2075.3993 1948.7655 110.0421 -205913.8755 17530.0667 0.0000 0.0000 34362.7552 -149147.9158 300.0985 -183510.6710 -149046.9002 299.9520 1.4976 34.4618 554411.4791 -8.8225 -9.1107 PRESSURE: 2234400 -91.7236 44.1258 -22.0754 44.1266 -99.4087 -112.306 -22.0762 -112.305 315.871 GPRESSURE: 2234400 -135.468 49.9551 -7.93631 61.8855 21.5585 -165.974 -5.749 18.6267 340.082 PRESSAVG: 2234400 25.7116 0.908483 -44.955 0.908497 8.72027 83.3566 -44.955 83.3566 -14.1621 GPRESSAVG: 2234400 24.5421 0.528683 -44.1069 1.47879 9.74272 83.2251 -46.6806 82.0773 -13.4779 TIMING: 2234400 CPU: 6736.12, 0.00302933/step Wall: 6736.12, 0.00302933/step, 2.3272 hours remaining, 210.292969 MB of memory in use. ENERGY: 2234400 767.1255 2145.2482 1897.1542 133.3153 -206370.5147 17810.1681 0.0000 0.0000 34490.0648 -149127.4385 301.2103 -183617.5033 -149034.2779 299.5222 41.5795 75.3909 554564.4187 6.7566 6.9356 PRESSURE: 2234600 -94.5384 -136.984 10.6974 -136.985 -47.8281 -7.09916 10.6952 -7.10142 -225.738 GPRESSURE: 2234600 -115.487 -85.6512 -125.815 -99.2235 35.3381 -37.3344 42.2982 67.1631 -196.971 PRESSAVG: 2234600 -61.4461 38.8733 -15.1917 38.8732 94.167 11.4677 -15.1917 11.4679 25.1047 GPRESSAVG: 2234600 -61.3444 37.4304 -17.1527 35.9436 93.0369 11.6658 -13.3361 10.5058 25.6793 TIMING: 2234600 CPU: 6736.73, 0.00303633/step Wall: 6736.73, 0.00303633/step, 2.33241 hours remaining, 210.292969 MB of memory in use. ENERGY: 2234600 766.5218 2130.5500 1924.7902 108.5579 -206283.7925 17761.1396 0.0000 0.0000 34387.2772 -149204.9557 300.3126 -183592.2329 -149107.0351 299.4748 -122.7014 -92.3733 557708.3907 19.2752 19.1239 PRESSURE: 2234800 -100.909 -14.637 -16.7279 -14.6381 -86.9316 -178.119 -16.7268 -178.119 -395.423 GPRESSURE: 2234800 -67.8325 40.5061 29.9498 -25.3742 -9.52802 -128.042 -80.9248 -193.458 -414.526 PRESSAVG: 2234800 1.9801 29.075 36.8533 29.0751 54.0855 -52.1668 36.8534 -52.1667 -42.1216 GPRESSAVG: 2234800 3.28861 31.8042 36.3561 29.1245 54.0388 -51.884 37.0263 -52.4946 -43.6945 TIMING: 2234800 CPU: 6737.34, 0.00304435/step Wall: 6737.34, 0.00304435/step, 2.3384 hours remaining, 210.292969 MB of memory in use. ENERGY: 2234800 758.5051 2071.5999 1924.2967 118.1901 -206223.2247 17657.0794 0.0000 0.0000 34149.7268 -149543.8268 298.2381 -183693.5535 -149448.9891 299.1720 -194.4215 -163.9622 558084.4164 4.6480 4.5443 PRESSURE: 2235000 -27.3917 85.4941 -26.8639 85.4948 26.9866 -121.474 -26.8638 -121.474 40.0806 GPRESSURE: 2235000 48.404 91.0243 -60.1305 58.4168 89.8423 -69.3426 77.4487 -158.418 -0.573181 PRESSAVG: 2235000 -6.64832 50.6737 5.95418 50.6737 22.6148 -43.6236 5.95409 -43.6236 -28.3349 GPRESSAVG: 2235000 -8.2679 47.8767 7.17753 52.1486 23.8458 -43.9776 6.66766 -42.7272 -27.4471 TIMING: 2235000 CPU: 6737.94, 0.00301628/step Wall: 6737.94, 0.00301628/step, 2.31667 hours remaining, 210.292969 MB of memory in use. ENERGY: 2235000 770.1194 2077.3427 1916.5553 116.0959 -206623.2822 18023.1499 0.0000 0.0000 34277.1527 -149442.8663 299.3509 -183720.0190 -149346.2229 299.2348 13.2251 45.8910 558171.3363 -4.1228 -3.9564 PRESSURE: 2235200 -310.054 -57.5258 -159.049 -57.5246 9.16517 -94.2241 -159.05 -94.2227 107.381 GPRESSURE: 2235200 -244.97 -26.6929 -190.545 43.8523 29.9581 -34.1028 -174.291 -123.555 123.057 PRESSAVG: 2235200 27.9478 26.5806 18.4772 26.5807 2.33551 -13.0215 18.4772 -13.0213 -30.3194 GPRESSAVG: 2235200 26.3488 25.9895 17.7237 26.7319 2.32892 -11.2413 17.3777 -13.0715 -28.7509 TIMING: 2235200 CPU: 6738.55, 0.00302932/step Wall: 6738.55, 0.00302932/step, 2.32652 hours remaining, 210.292969 MB of memory in use. ENERGY: 2235200 738.8735 2114.5863 1916.5146 113.6252 -206503.5340 17932.6501 0.0000 0.0000 34320.1935 -149367.0907 299.7268 -183687.2842 -149271.6062 299.0303 -64.5025 -30.6516 558924.3575 -0.0120 -0.0244 PRESSURE: 2235400 69.386 53.1702 -4.65874 53.171 8.99854 23.4394 -4.6588 23.4383 120.083 GPRESSURE: 2235400 99.5857 -21.6557 -38.8821 39.4346 47.797 35.2454 18.2363 52.0486 149.521 PRESSAVG: 2235400 7.90221 -9.16207 39.2987 -9.16199 -5.758 18.177 39.2987 18.1769 11.5928 GPRESSAVG: 2235400 9.65099 -8.91785 38.3664 -8.53388 -7.05193 17.7822 38.3442 19.0128 10.7872 TIMING: 2235400 CPU: 6739.15, 0.00301416/step Wall: 6739.15, 0.00301416/step, 2.31471 hours remaining, 210.292969 MB of memory in use. ENERGY: 2235400 762.6859 2071.3855 1928.9360 124.1260 -206922.8436 18143.7636 0.0000 0.0000 34472.2508 -149419.6958 301.0547 -183891.9467 -149322.4012 298.9990 66.1558 98.9678 557869.8327 4.5790 4.4621 PRESSURE: 2235600 -166.166 -162.088 71.0063 -162.09 -15.5558 -12.9137 71.0063 -12.913 -25.7108 GPRESSURE: 2235600 -204.781 -156.267 19.9051 -131.939 51.0011 -16.6663 78.9766 -24.2769 45.8592 PRESSAVG: 2235600 -35.143 -31.95 25.8539 -31.95 31.5291 -32.7451 25.8539 -32.745 4.59958 GPRESSAVG: 2235600 -36.5008 -30.7099 26.7162 -31.0862 32.5774 -33.1151 26.0212 -34.0364 4.66945 TIMING: 2235600 CPU: 6739.76, 0.00302176/step Wall: 6739.76, 0.00302176/step, 2.32037 hours remaining, 210.292969 MB of memory in use. ENERGY: 2235600 758.4473 2149.4148 1908.0857 111.7435 -206313.2598 17857.7163 0.0000 0.0000 34153.5137 -149374.3385 298.2711 -183527.8522 -149277.4477 298.0606 -69.1443 -35.9736 559362.4009 0.3286 0.2487 PRESSURE: 2235800 -21.4744 -68.0265 146.473 -68.0271 -316.667 -97.9086 146.473 -97.9091 30.2155 GPRESSURE: 2235800 -8.67588 -79.3619 96.176 -75.6749 -246.416 -122.573 155.362 -133.755 53.7777 PRESSAVG: 2235800 39.4786 28.8362 43.2945 28.8362 6.10464 -13.4715 43.2944 -13.4714 -27.5708 GPRESSAVG: 2235800 40.2467 30.5304 42.0789 26.3616 6.54044 -14.6184 44.1302 -11.0536 -28.9918 TIMING: 2235800 CPU: 6740.36, 0.00300846/step Wall: 6740.36, 0.00300846/step, 2.31 hours remaining, 210.292969 MB of memory in use. ENERGY: 2235800 734.2693 2058.7582 1933.3517 104.6506 -206175.9694 17879.8124 0.0000 0.0000 34087.4420 -149377.6852 297.6941 -183465.1272 -149283.6726 299.6626 -102.6420 -67.1047 558911.3029 6.0041 5.9318 PRESSURE: 2236000 -217.299 82.6667 152.686 82.6667 -167.927 -8.32224 152.686 -8.32208 -262.58 GPRESSURE: 2236000 -249.802 78.5448 171.896 94.7439 -122.225 -62.2199 108.648 22.1377 -174.075 PRESSAVG: 2236000 -15.7609 -18.3844 9.93786 -18.3845 41.3974 -27.2913 9.93791 -27.2913 11.7493 GPRESSAVG: 2236000 -15.9933 -20.4954 9.35221 -16.6638 40.2065 -26.2253 12.0033 -28.7767 12.9875 TIMING: 2236000 CPU: 6740.97, 0.00304171/step Wall: 6740.97, 0.00304171/step, 2.33536 hours remaining, 210.292969 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: 2236000 742.8347 2104.8893 1945.0076 108.8570 -206155.5461 17661.1229 0.0000 0.0000 34142.0799 -149450.7547 298.1713 -183592.8346 -149357.3927 298.6339 -215.9353 -182.0338 559303.9585 12.4619 12.4002 PRESSURE: 2236200 -122.622 -93.5469 4.0906 -93.5477 -18.1514 -141.674 4.09153 -141.677 -25.5676 GPRESSURE: 2236200 -132.229 -59.4111 75.5158 -153.262 14.5714 -161.429 9.61128 -94.0455 57.8053 PRESSAVG: 2236200 20.5003 33.9979 52.916 33.9978 -63.9391 -65.1224 52.9161 -65.1223 69.3624 GPRESSAVG: 2236200 20.0177 33.7845 54.1407 33.653 -62.8151 -66.0567 51.4268 -64.1629 68.5085 TIMING: 2236200 CPU: 6741.57, 0.00299766/step Wall: 6741.57, 0.00299766/step, 2.30137 hours remaining, 210.292969 MB of memory in use. ENERGY: 2236200 750.7815 2053.3221 1891.6741 107.7566 -206016.3832 17780.4289 0.0000 0.0000 34140.1805 -149292.2397 298.1547 -183432.4201 -149197.7484 298.0831 -55.4472 -19.9507 559708.1092 8.6412 8.5704 LDB: ============= START OF LOAD BALANCING ============== 6745.08 LDB: ============== END OF LOAD BALANCING =============== 6745.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6745.09 LDB: ============= START OF LOAD BALANCING ============== 6745.39 LDB: Largest compute 4772 load 0.030900 is 26.2% of average load 0.117984 LDB: Average compute 0.001727 is 1.5% of average load 0.117984 LDB: TIME 6745.39 LOAD: AVG 0.117984 MAX 0.204652 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.688 MB LDB: TIME 6745.39 LOAD: AVG 0.117984 MAX 0.204652 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.758 MB LDB: TIME 6745.39 LOAD: AVG 0.117984 MAX 0.204652 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.758 MB LDB: ============== END OF LOAD BALANCING =============== 6745.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6745.4 PRESSURE: 2236400 -292.306 -183.834 25.9849 -183.834 -300.758 -41.2971 25.9856 -41.298 85.7292 GPRESSURE: 2236400 -219.899 -165.771 79.0578 -144.764 -309.77 -90.0383 16.1722 -57.3047 125.526 PRESSAVG: 2236400 -45.0785 24.7609 10.2457 24.7609 27.9884 26.7835 10.2456 26.7834 -2.66989 GPRESSAVG: 2236400 -44.0856 25.5066 8.77049 23.6467 27.2999 26.5574 9.79248 26.499 -3.13437 TIMING: 2236400 CPU: 6742.18, 0.00307071/step Wall: 6742.18, 0.00307071/step, 2.35728 hours remaining, 208.226562 MB of memory in use. ENERGY: 2236400 744.3478 2072.0892 1889.2782 108.3727 -206138.1659 17624.0902 0.0000 0.0000 34475.5082 -149224.4796 301.0832 -183699.9878 -149126.0574 298.9500 -169.1114 -134.7142 558479.7952 -6.5867 -6.6400 PRESSURE: 2236600 -177.729 12.9409 -102.307 12.9405 -46.1099 75.8732 -102.308 75.8724 -152.753 GPRESSURE: 2236600 -87.8011 -52.9216 -84.8116 72.7924 -60.8155 0.927882 -116.353 140.008 -123.762 PRESSAVG: 2236600 48.6939 1.80146 -1.31911 1.80143 -68.2394 43.5916 -1.3191 43.5917 19.7915 GPRESSAVG: 2236600 48.088 0.0302227 -0.175126 4.72573 -68.7971 44.613 -0.390278 42.2604 20.9652 TIMING: 2236600 CPU: 6742.78, 0.0030094/step Wall: 6742.78, 0.0030094/step, 2.31005 hours remaining, 208.429688 MB of memory in use. ENERGY: 2236600 734.3447 2061.6410 1932.0644 117.6741 -206216.5367 17690.9519 0.0000 0.0000 34258.1963 -149421.6642 299.1853 -183679.8605 -149332.2626 299.4453 -125.5308 -90.7927 557835.0230 0.0820 0.0854 PRESSURE: 2236800 169.865 9.78674 -79.8139 9.78633 -8.22169 -165.077 -79.814 -165.078 95.0034 GPRESSURE: 2236800 196.247 12.3069 -40.3409 -45.6198 42.6834 -147.166 -87.9596 -124.976 112.07 PRESSAVG: 2236800 4.2764 38.4758 -53.8326 38.4758 -73.7254 45.3683 -53.8326 45.3685 39.3818 GPRESSAVG: 2236800 4.31921 41.1093 -54.7512 36.2676 -73.3225 45.2518 -53.2465 43.9977 39.0409 TIMING: 2236800 CPU: 6743.38, 0.00300624/step Wall: 6743.38, 0.00300624/step, 2.30746 hours remaining, 208.632812 MB of memory in use. ENERGY: 2236800 746.2996 2082.7138 1957.9653 113.8925 -206124.3670 17680.1689 0.0000 0.0000 34294.3543 -149248.9727 299.5011 -183543.3270 -149156.7287 298.6625 85.5488 117.0001 554789.8797 -10.0224 -9.9875 PRESSURE: 2237000 113.442 34.9529 21.4283 34.9529 -74.2819 -5.15281 21.4283 -5.15265 104.724 GPRESSURE: 2237000 126.602 63.6558 32.1858 24.7005 -3.36872 -17.1602 -3.5596 23.5094 118.691 PRESSAVG: 2237000 -49.0319 -22.8058 -49.2568 -22.8058 -2.35613 36.7627 -49.2568 36.7627 75.0122 GPRESSAVG: 2237000 -49.9548 -25.7816 -49.7817 -20.1701 -2.24665 38.4487 -50.3254 36.7223 75.4528 TIMING: 2237000 CPU: 6743.98, 0.00300075/step Wall: 6743.98, 0.00300075/step, 2.30308 hours remaining, 208.632812 MB of memory in use. ENERGY: 2237000 754.6763 2052.3551 1954.1881 122.4301 -206030.1655 17692.6056 0.0000 0.0000 34220.8521 -149233.0581 298.8592 -183453.9103 -149138.4810 299.9551 47.9614 80.6415 554883.1435 7.8747 7.7505 PRESSURE: 2237200 321.726 39.281 -112.238 39.2803 114.64 -94.2366 -112.238 -94.236 91.6766 GPRESSURE: 2237200 389.217 79.5809 -98.5782 29.7359 111.832 -66.0162 -131.375 -37.6004 123.206 PRESSAVG: 2237200 49.7692 18.1449 -50.4869 18.1449 16.1871 -21.9765 -50.487 -21.9764 -11.1247 GPRESSAVG: 2237200 50.0058 21.6572 -49.6596 14.5739 16.6105 -23.4455 -50.7373 -19.0025 -12.0222 TIMING: 2237200 CPU: 6744.58, 0.00299029/step Wall: 6744.58, 0.00299029/step, 2.29488 hours remaining, 208.632812 MB of memory in use. ENERGY: 2237200 711.4709 2011.3501 1940.3417 104.2232 -206622.6839 18128.7738 0.0000 0.0000 34378.1668 -149348.3575 300.2331 -183726.5243 -149251.9376 299.8425 176.0142 208.0851 556089.7707 18.2772 18.1980 PRESSURE: 2237400 -4.89838 -93.4744 123.065 -93.4746 -25.2566 -88.6337 123.064 -88.6333 -169.205 GPRESSURE: 2237400 0.630031 -132.021 229.047 -124.743 1.79614 -104.419 60.5121 -64.5179 -118.502 PRESSAVG: 2237400 50.9115 7.36843 23.565 7.36846 4.78092 -35.6657 23.565 -35.6656 -27.4299 GPRESSAVG: 2237400 51.0838 7.39313 21.1488 9.07581 4.74307 -36.8579 25.3183 -35.7327 -26.9838 TIMING: 2237400 CPU: 6745.18, 0.00300646/step Wall: 6745.18, 0.00300646/step, 2.30712 hours remaining, 208.632812 MB of memory in use. ENERGY: 2237400 746.1075 2078.3776 1901.0029 115.1070 -206155.4991 17573.1545 0.0000 0.0000 34371.5747 -149370.1749 300.1755 -183741.7497 -149267.3654 299.0858 -66.4534 -38.6920 556954.5368 9.4208 9.6144 PRESSURE: 2237600 192.961 -5.34004 -106.958 -5.33957 -48.2506 -73.064 -106.958 -73.0657 -155.832 GPRESSURE: 2237600 159.081 -87.8296 -47.9215 81.0248 -2.94241 -120.941 -167.596 -13.0913 -65.8913 PRESSAVG: 2237600 21.6286 36.7417 -15.2939 36.7418 27.5767 4.23114 -15.294 4.23115 -59.7058 GPRESSAVG: 2237600 21.6843 35.4923 -12.8502 36.8582 28.5775 5.05034 -17.1868 2.9916 -60.6997 TIMING: 2237600 CPU: 6745.78, 0.00300635/step Wall: 6745.78, 0.00300635/step, 2.30687 hours remaining, 208.632812 MB of memory in use. ENERGY: 2237600 734.3997 2102.0486 1922.9022 116.3111 -206354.0865 17800.9317 0.0000 0.0000 34233.4656 -149444.0277 298.9694 -183677.4933 -149345.2476 298.6335 -3.7071 30.0824 555844.2856 -3.5002 -3.4793 PRESSURE: 2237800 -120.08 -11.4708 83.3631 -11.4702 -197.511 68.1511 83.3632 68.1502 -66.0019 GPRESSURE: 2237800 -166.829 -15.9356 101.613 79.8486 -83.2968 27.1398 35.0054 71.8084 -41.0277 PRESSAVG: 2237800 46.8159 0.114387 -8.19773 0.114337 7.91352 22.2434 -8.19773 22.2434 -41.5815 GPRESSAVG: 2237800 47.822 1.93192 -8.61284 -1.68099 6.44903 21.9109 -8.08998 22.6525 -41.0593 TIMING: 2237800 CPU: 6746.39, 0.00301247/step Wall: 6746.39, 0.00301247/step, 2.3114 hours remaining, 208.632812 MB of memory in use. ENERGY: 2237800 775.1827 2116.4156 1939.1621 97.6358 -205972.5553 17656.6823 0.0000 0.0000 34222.8057 -149164.6711 298.8763 -183387.4768 -149070.6127 298.7877 -127.8643 -97.0510 556359.1025 4.3826 4.4039 PRESSURE: 2238000 -78.1592 -58.6531 104.248 -58.6541 70.456 24.0168 104.249 24.0172 217.539 GPRESSURE: 2238000 0.970394 -58.8382 158.744 59.6401 90.1828 54.0778 94.7502 38.7416 214.388 PRESSAVG: 2238000 -6.26377 3.78532 43.5671 3.78533 7.22852 -70.7557 43.5672 -70.7557 -7.50834 GPRESSAVG: 2238000 -7.3981 2.64281 42.5875 4.21936 7.28164 -71.7488 44.0754 -70.8551 -6.3429 TIMING: 2238000 CPU: 6747, 0.00304924/step Wall: 6747, 0.00304924/step, 2.33944 hours remaining, 208.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2238000 762.0321 2103.9678 1938.9482 128.2021 -206143.0573 17813.5951 0.0000 0.0000 34228.7114 -149167.6006 298.9279 -183396.3120 -149075.5094 299.2530 69.9452 101.8470 556450.1536 -2.1812 -2.1531 PRESSURE: 2238200 -81.1269 16.6976 48.5823 16.6968 -70.435 -67.7614 48.5828 -67.7608 -261.247 GPRESSURE: 2238200 -60.5033 35.5858 41.2122 -20.5352 -66.8258 -6.11132 13.1481 -89.3508 -197.627 PRESSAVG: 2238200 9.60673 12.5207 -42.193 12.5206 30.7609 13.5647 -42.1929 13.5646 17.8931 GPRESSAVG: 2238200 10.5906 11.4234 -40.3123 13.9582 31.598 13.9504 -42.121 13.3869 16.0031 TIMING: 2238200 CPU: 6747.61, 0.00308977/step Wall: 6747.61, 0.00308977/step, 2.37037 hours remaining, 208.632812 MB of memory in use. ENERGY: 2238200 789.6392 2094.6277 1919.1962 108.3496 -205689.0408 17552.1940 0.0000 0.0000 34156.0434 -149068.9908 298.2932 -183225.0342 -148968.7660 299.6272 -137.6031 -108.3189 557379.4023 19.4202 19.3972 PRESSURE: 2238400 -101.12 -10.7404 -42.9111 -10.7403 -201.997 -217.521 -42.9118 -217.522 46.2189 GPRESSURE: 2238400 -118.833 2.1368 27.2839 17.5844 -126.776 -224.593 -71.4545 -203.954 96.5503 PRESSAVG: 2238400 3.4692 -35.3265 -7.49517 -35.3262 1.02378 56.9386 -7.49508 56.9386 -9.57033 GPRESSAVG: 2238400 2.58388 -34.9115 -8.244 -36 1.70235 57.8455 -7.02477 57.9764 -8.24233 TIMING: 2238400 CPU: 6748.23, 0.00306545/step Wall: 6748.23, 0.00306545/step, 2.35154 hours remaining, 208.632812 MB of memory in use. ENERGY: 2238400 751.3376 2132.1056 1936.8748 106.0977 -205895.6928 17536.4591 0.0000 0.0000 34198.8198 -149233.9982 298.6668 -183432.8180 -149138.0109 298.7666 -85.6327 -49.6861 556777.1388 -1.6924 -1.3187 PRESSURE: 2238600 63.7943 -121.06 43.9164 -121.059 -185.028 93.7781 43.9158 93.778 122.166 GPRESSURE: 2238600 116.023 -90.8869 36.5144 -89.3402 -191.592 122.998 111.399 103.42 171.264 PRESSAVG: 2238600 58.365 -6.52612 -9.12114 -6.52604 -59.2748 -24.5185 -9.12111 -24.5186 19.4125 GPRESSAVG: 2238600 59.3653 -7.60883 -9.6466 -7.07655 -59.5588 -24.1183 -9.6752 -26.6549 18.6435 TIMING: 2238600 CPU: 6748.83, 0.00302745/step Wall: 6748.83, 0.00302745/step, 2.32222 hours remaining, 208.632812 MB of memory in use. ENERGY: 2238600 706.8902 2098.7702 1923.4757 118.2223 -206392.3648 17755.8381 0.0000 0.0000 34569.3593 -149219.8089 301.9028 -183789.1682 -149119.7009 299.4120 0.3108 31.8985 555857.1228 6.1675 6.1500 PRESSURE: 2238800 -90.2719 38.8364 -159.557 38.8363 -52.3476 -161.908 -159.557 -161.907 -50.8417 GPRESSURE: 2238800 -81.3954 -11.6042 -220.68 51.1369 -26.3685 -149.894 -125.477 -201.299 13.9594 PRESSAVG: 2238800 -11.2725 -26.0454 -26.1139 -26.0454 -33.329 44.2317 -26.1138 44.2317 36.7252 GPRESSAVG: 2238800 -13.1164 -23.1659 -26.1794 -26.2755 -31.6304 44.1523 -26.4794 43.8873 37.1486 TIMING: 2238800 CPU: 6749.44, 0.00303099/step Wall: 6749.44, 0.00303099/step, 2.32477 hours remaining, 208.632812 MB of memory in use. ENERGY: 2238800 738.9395 2061.2562 1944.9627 106.4920 -206086.8948 17756.6650 0.0000 0.0000 34177.8346 -149300.7447 298.4835 -183478.5793 -149204.4686 299.1267 -64.4871 -31.2682 558278.8890 -2.6254 -2.5327 PRESSURE: 2239000 -52.9857 -142.564 47.3848 -142.566 -129.605 -144.89 47.3851 -144.89 35.4975 GPRESSURE: 2239000 -59.3069 -80.7629 36.4755 -98.7476 -77.2983 -184.7 157.767 -31.9853 80.8265 PRESSAVG: 2239000 15.5849 -23.8336 -44.2228 -23.8337 -48.8361 -19.1624 -44.2229 -19.1626 11.8849 GPRESSAVG: 2239000 16.4192 -24.6175 -43.1339 -23.4164 -49.381 -19.4574 -44.6786 -18.2175 11.3485 TIMING: 2239000 CPU: 6750.04, 0.00299359/step Wall: 6750.04, 0.00299359/step, 2.29592 hours remaining, 208.632812 MB of memory in use. ENERGY: 2239000 706.7367 2079.0303 1958.3398 118.1854 -206158.0058 17659.2938 0.0000 0.0000 34229.9025 -149406.5172 298.9383 -183636.4197 -149308.2506 299.1601 -49.0312 -18.5929 556836.9357 -7.1221 -7.2044 PRESSURE: 2239200 93.8112 -125.288 -47.8405 -125.288 -99.12 -33.6804 -47.8409 -33.6794 276.42 GPRESSURE: 2239200 119.092 -72.9598 -124.695 -164.026 -27.2063 48.4677 30.6179 -28.0071 283.116 PRESSAVG: 2239200 56.9822 9.05191 3.49547 9.05188 -15.5172 -8.10653 3.49546 -8.10652 -8.45393 GPRESSAVG: 2239200 57.3385 8.05405 1.10368 7.49927 -15.526 -8.08777 4.64398 -9.20113 -8.78462 TIMING: 2239200 CPU: 6750.64, 0.00300408/step Wall: 6750.64, 0.00300408/step, 2.3038 hours remaining, 208.835938 MB of memory in use. ENERGY: 2239200 725.0162 2070.8049 1932.8966 98.3717 -206871.3988 18153.0482 0.0000 0.0000 34467.0674 -149424.1937 301.0095 -183891.2611 -149318.7122 299.1115 90.3705 125.0005 557158.6635 11.0037 11.0093 PRESSURE: 2239400 148.557 -84.1728 39.77 -84.1736 -74.2856 -92.1163 39.7697 -92.1168 93.0823 GPRESSURE: 2239400 174.489 -163.04 40.2598 -73.637 -6.82263 -53.4032 9.48425 -36.515 100.646 PRESSAVG: 2239400 34.8561 -31.1595 -5.36712 -31.1595 -2.19643 1.69985 -5.36718 1.6999 -31.6 GPRESSAVG: 2239400 35.3727 -32.4757 -1.26667 -30.1736 -3.28272 1.32942 -5.75066 2.7148 -31.7479 TIMING: 2239400 CPU: 6751.24, 0.0030216/step Wall: 6751.24, 0.0030216/step, 2.31706 hours remaining, 208.835938 MB of memory in use. ENERGY: 2239400 726.6341 2080.9052 1948.2851 111.7443 -206239.6024 17867.5934 0.0000 0.0000 34266.0541 -149238.3862 299.2540 -183504.4404 -149153.7738 299.0466 55.7846 89.4378 557899.5616 0.3532 0.1140 PRESSURE: 2239600 -61.2248 23.7725 -260.826 23.7727 -178.712 -25.6441 -260.827 -25.6439 -166.29 GPRESSURE: 2239600 7.35901 -11.2153 -199.001 107.612 -200.783 19.0986 -323.547 -41.4783 -125.074 PRESSAVG: 2239600 -25.3707 -34.6332 -28.7057 -34.6333 -48.5408 57.6012 -28.7057 57.6013 23.3508 GPRESSAVG: 2239600 -26.2233 -33.4013 -29.237 -35.5862 -48.498 56.5864 -31.2914 58.1752 23.8315 TIMING: 2239600 CPU: 6751.84, 0.00299091/step Wall: 6751.84, 0.00299091/step, 2.29336 hours remaining, 208.835938 MB of memory in use. ENERGY: 2239600 736.7702 2063.3296 1940.3512 115.0776 -205979.9575 17631.9881 0.0000 0.0000 34222.0527 -149270.3880 298.8697 -183492.4407 -149170.7404 299.0306 -135.4090 -106.1660 559209.2473 -16.8536 -16.9633 PRESSURE: 2239800 -221.098 -31.0461 135.315 -31.0449 -309.882 71.4937 135.315 71.494 -386.432 GPRESSURE: 2239800 -156.402 34.3492 187.574 -56.6084 -263.339 107.636 74.8044 73.914 -384.919 PRESSAVG: 2239800 -0.600103 -44.8906 21.5175 -44.8906 -35.8419 29.295 21.5175 29.2951 9.49465 GPRESSAVG: 2239800 0.398423 -45.1164 22.0288 -43.6071 -35.3511 31.2806 20.8644 26.852 8.08652 TIMING: 2239800 CPU: 6752.44, 0.00297881/step Wall: 6752.44, 0.00297881/step, 2.28392 hours remaining, 208.835938 MB of memory in use. ENERGY: 2239800 762.2564 2072.3074 1951.2420 111.0170 -205635.9236 17278.6857 0.0000 0.0000 34120.3402 -149340.0748 297.9814 -183460.4150 -149239.3196 298.7735 -305.8041 -268.2201 558125.9905 -8.9824 -8.9554 PRESSURE: 2240000 10.9331 -148.963 -37.9864 -148.962 -182.207 -119.634 -37.9859 -119.635 266.145 GPRESSURE: 2240000 -42.115 -323.276 -9.70024 -112.855 -74.0851 -107.113 -67.0665 -98.8734 297.502 PRESSAVG: 2240000 28.6038 0.652464 -14.2881 0.652601 -34.1701 -5.71653 -14.2882 -5.71656 -7.88071 GPRESSAVG: 2240000 27.2514 -0.774044 -16.107 2.37765 -35.4221 -6.9122 -12.0034 -4.63276 -6.23808 TIMING: 2240000 CPU: 6753.03, 0.00298931/step Wall: 6753.03, 0.00298931/step, 2.29181 hours remaining, 208.835938 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: 2240000 723.9706 2146.1894 1925.8439 111.2900 -206469.5092 17777.0056 0.0000 0.0000 34414.6245 -149370.5853 300.5515 -183785.2098 -149272.5005 298.6587 31.6238 60.4339 556597.3614 -4.4823 -4.8029 PRESSURE: 2240200 -387.376 -88.609 20.8694 -88.6101 -249.617 -67.4646 20.8692 -67.4635 -163.169 GPRESSURE: 2240200 -322.745 -69.224 76.1377 -70.0717 -283.97 -68.7415 84.3269 -222.22 -89.8145 PRESSAVG: 2240200 53.4583 -4.01897 -26.1899 -4.01894 23.5542 -10.0089 -26.1901 -10.0088 -61.4319 GPRESSAVG: 2240200 53.3751 -0.614722 -25.8732 -5.39392 24.1925 -11.9021 -24.6881 -10.5013 -61.8531 TIMING: 2240200 CPU: 6753.63, 0.00298573/step Wall: 6753.63, 0.00298573/step, 2.28889 hours remaining, 208.835938 MB of memory in use. ENERGY: 2240200 732.9755 2060.1138 1916.0736 113.8977 -205894.1406 17496.2123 0.0000 0.0000 34239.5785 -149335.2891 299.0228 -183574.8675 -149234.7097 299.0650 -266.7209 -232.1762 558957.2000 5.1935 5.2382 LDB: ============= START OF LOAD BALANCING ============== 6757.15 LDB: ============== END OF LOAD BALANCING =============== 6757.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6757.15 LDB: ============= START OF LOAD BALANCING ============== 6757.45 LDB: Largest compute 4772 load 0.029277 is 24.8% of average load 0.117983 LDB: Average compute 0.001729 is 1.5% of average load 0.117983 LDB: TIME 6757.45 LOAD: AVG 0.117983 MAX 0.203429 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.457 MB LDB: TIME 6757.45 LOAD: AVG 0.117983 MAX 0.203429 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.527 MB LDB: TIME 6757.45 LOAD: AVG 0.117983 MAX 0.203429 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.527 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6757.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6757.46 PRESSURE: 2240400 -44.042 -220.45 -45.2519 -220.45 -26.593 -115.553 -45.2519 -115.552 -70.7172 GPRESSURE: 2240400 -51.4354 -200.226 32.0687 -137.792 26.1784 -109.937 -109.221 -100.065 -25.2831 PRESSAVG: 2240400 42.8757 19.6017 -41.905 19.6017 -49.5475 -45.3435 -41.9051 -45.3435 -35.085 GPRESSAVG: 2240400 42.3882 18.5288 -43.4679 18.2567 -50.2076 -44.0576 -41.8184 -44.342 -34.2382 TIMING: 2240400 CPU: 6754.24, 0.00305832/step Wall: 6754.24, 0.00305832/step, 2.34437 hours remaining, 209.257812 MB of memory in use. ENERGY: 2240400 741.3957 2097.4637 1955.6016 115.5003 -205765.7994 17536.0887 0.0000 0.0000 34092.1141 -149227.6352 297.7349 -183319.7494 -149130.6660 300.3407 -47.1174 -16.8467 559501.5841 -13.9190 -14.0192 PRESSURE: 2240600 -138.595 -96.8295 -28.5466 -96.8302 -6.91263 -43.6049 -28.547 -43.6043 210.572 GPRESSURE: 2240600 -122.965 -162.424 -70.5189 -1.88837 64.5142 -140.95 10.9718 -71.3501 224.106 PRESSAVG: 2240600 -80.8615 -34.5236 33.2153 -34.5236 23.1831 -54.4734 33.2153 -54.4734 56.5366 GPRESSAVG: 2240600 -79.2031 -34.669 36.1701 -32.4995 22.8359 -55.0772 31.7339 -54.9492 55.5422 TIMING: 2240600 CPU: 6754.84, 0.00299736/step Wall: 6754.84, 0.00299736/step, 2.29748 hours remaining, 209.257812 MB of memory in use. ENERGY: 2240600 753.9534 2072.8181 1936.9959 131.2383 -206673.4421 18099.9336 0.0000 0.0000 34356.6222 -149321.8807 300.0449 -183678.5028 -149223.9781 298.9686 21.6882 55.2186 558737.3483 -0.3806 -0.2750 PRESSURE: 2240800 35.4715 -130.195 -46.4435 -130.194 116.607 115.504 -46.4434 115.505 -135.009 GPRESSURE: 2240800 94.1739 -86.3817 -47.8393 -140.696 70.7431 152.313 -53.7537 83.493 -60.4562 PRESSAVG: 2240800 -46.9014 -66.0318 -33.2883 -66.0319 -5.65494 -23.7873 -33.2883 -23.7872 16.2527 GPRESSAVG: 2240800 -47.2456 -62.871 -34.9155 -67.9257 -4.70494 -23.8649 -33.0289 -24.5961 15.4705 TIMING: 2240800 CPU: 6755.44, 0.00299547/step Wall: 6755.44, 0.00299547/step, 2.29586 hours remaining, 209.257812 MB of memory in use. ENERGY: 2240800 702.9033 2133.4439 1932.0451 109.8062 -206365.8419 17839.0385 0.0000 0.0000 34261.7277 -149386.8772 299.2162 -183648.6049 -149292.0112 299.0261 5.6898 34.8203 557684.8789 -12.1012 -12.1600 PRESSURE: 2241000 132.698 39.4502 -43.7706 39.4496 54.8824 -163.748 -43.7713 -163.748 -309.643 GPRESSURE: 2241000 120.119 -62.0776 19.2659 57.843 102.001 -250.42 -102.562 -99.9919 -237.835 PRESSAVG: 2241000 -8.53231 -29.7692 -21.1036 -29.7692 -12.6784 33.7446 -21.1036 33.7447 6.76271 GPRESSAVG: 2241000 -6.65037 -31.5371 -20.9673 -28.7083 -14.2735 33.8815 -21.6513 33.8162 7.06203 TIMING: 2241000 CPU: 6756.05, 0.00302417/step Wall: 6756.05, 0.00302417/step, 2.31769 hours remaining, 209.257812 MB of memory in use. ENERGY: 2241000 710.8738 2096.3810 1908.9757 111.5248 -206031.6569 17663.1927 0.0000 0.0000 34188.5767 -149352.1322 298.5773 -183540.7089 -149253.8283 298.7824 -40.6878 -5.2383 558609.1257 -4.8160 -4.6206 PRESSURE: 2241200 65.1899 168.255 -17.7833 168.255 164.499 -19.0778 -17.7832 -19.0759 -78.3369 GPRESSURE: 2241200 76.6249 130.908 31.7541 199.64 191.561 0.689115 -37.7287 -64.0377 -16.1968 PRESSAVG: 2241200 2.04912 -12.974 28.7156 -12.9739 -32.5042 -19.7887 28.7155 -19.7887 6.93375 GPRESSAVG: 2241200 -0.0371766 -13.4808 28.766 -13.0097 -31.3638 -20.2152 30.428 -19.2577 7.88808 TIMING: 2241200 CPU: 6756.65, 0.00300304/step Wall: 6756.65, 0.00300304/step, 2.30133 hours remaining, 209.257812 MB of memory in use. ENERGY: 2241200 731.1281 2169.1173 1910.6219 92.9200 -206385.4402 17946.0866 0.0000 0.0000 34303.0683 -149232.4980 299.5772 -183535.5663 -149141.7655 299.2538 50.4507 83.9963 557434.4439 -7.8405 -7.8376 PRESSURE: 2241400 -269.952 -99.5089 124.66 -99.5084 183.63 35.2517 124.66 35.2519 -126.322 GPRESSURE: 2241400 -248.573 -104.346 112.08 -82.3911 212.567 49.8267 87.0562 -6.52806 -83.8541 PRESSAVG: 2241400 -28.9842 -36.8468 63.311 -36.8468 30.5232 10.924 63.3111 10.924 8.45475 GPRESSAVG: 2241400 -28.8837 -36.5435 63.6787 -37.3804 29.9947 9.85022 61.3872 11.5492 7.95841 TIMING: 2241400 CPU: 6757.25, 0.00299027/step Wall: 6757.25, 0.00299027/step, 2.29138 hours remaining, 209.257812 MB of memory in use. ENERGY: 2241400 751.2326 2082.7177 1907.9702 114.6412 -206182.4859 17742.4039 0.0000 0.0000 34139.2238 -149444.2966 298.1463 -183583.5204 -149338.9842 298.6154 -70.8815 -39.9534 556462.7182 3.3313 3.0231 PRESSURE: 2241600 -319.727 125.079 119.201 125.079 -11.6435 267.702 119.2 267.701 -126.469 GPRESSURE: 2241600 -291.064 81.8697 106.742 40.5245 -46.2425 250.387 157.504 182.918 -13.7481 PRESSAVG: 2241600 -78.0438 24.5198 31.9807 24.5199 23.3955 38.2072 31.9807 38.2073 35.3395 GPRESSAVG: 2241600 -79.4403 22.6987 32.1819 26.3723 23.4902 40.2547 32.4673 36.1354 36.338 TIMING: 2241600 CPU: 6757.84, 0.00299181/step Wall: 6757.84, 0.00299181/step, 2.29239 hours remaining, 209.316406 MB of memory in use. ENERGY: 2241600 746.5636 2065.5947 1898.6970 109.9981 -206209.6128 17477.1556 0.0000 0.0000 34399.5556 -149512.0483 300.4199 -183911.6039 -149418.1830 299.4063 -152.6132 -117.0183 556035.8878 -6.4363 -6.5374 PRESSURE: 2241800 -137.056 106.024 97.0074 106.023 -255.524 -28.6299 97.007 -28.63 -107.752 GPRESSURE: 2241800 -83.6467 243.741 81.0637 11.2652 -228.257 -105.317 49.7129 -32.1043 -88.9533 PRESSAVG: 2241800 -16.881 21.8898 26.2396 21.8898 23.3301 49.9245 26.2394 49.9244 22.9844 GPRESSAVG: 2241800 -16.3349 23.2427 26.556 22.0157 23.6406 48.4407 24.4727 50.5552 22.2681 TIMING: 2241800 CPU: 6758.45, 0.00301333/step Wall: 6758.45, 0.00301332/step, 2.30871 hours remaining, 209.316406 MB of memory in use. ENERGY: 2241800 738.2089 2153.0460 1898.7051 111.8384 -205999.2462 17615.7707 0.0000 0.0000 33894.3332 -149587.3439 296.0076 -183481.6771 -149494.9802 298.3817 -166.7776 -133.6190 557292.5335 9.8112 9.8579 PRESSURE: 2242000 -244.445 102.958 -15.8872 102.959 -434.343 -7.47298 -15.8873 -7.47254 -198.388 GPRESSURE: 2242000 -201.612 101.713 -28.254 82.1987 -380.863 -4.63836 -53.6587 -59.6613 -204.128 PRESSAVG: 2242000 39.1841 37.7235 40.531 37.7235 -16.3534 -26.1792 40.5311 -26.1792 17.0169 GPRESSAVG: 2242000 38.7085 38.8022 39.5418 35.7641 -16.1912 -26.1557 41.0405 -26.5751 17.4211 TIMING: 2242000 CPU: 6759.05, 0.00302594/step Wall: 6759.05, 0.00302594/step, 2.31821 hours remaining, 209.316406 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: 2242000 735.5189 2086.1493 1951.0002 107.2013 -205929.2745 17389.3802 0.0000 0.0000 33959.5620 -149700.4626 296.5773 -183660.0246 -149605.6857 297.7760 -292.3917 -262.2011 557016.4658 13.2826 13.3128 PRESSURE: 2242200 -211.231 -32.1353 -63.2623 -32.1364 -142.279 49.9698 -63.2641 49.9713 -159.275 GPRESSURE: 2242200 -205.674 -53.8262 -46.221 29.7919 -91.019 72.3464 -56.4122 -22.8261 -122.513 PRESSAVG: 2242200 -11.7589 -8.39393 -23.476 -8.39398 -30.7976 31.0594 -23.476 31.0594 19.7419 GPRESSAVG: 2242200 -12.194 -9.27978 -23.0285 -6.36774 -29.8542 31.7449 -22.617 33.4134 19.1485 TIMING: 2242200 CPU: 6759.66, 0.00303188/step Wall: 6759.66, 0.00303188/step, 2.32259 hours remaining, 209.316406 MB of memory in use. ENERGY: 2242200 748.3282 2082.7686 1917.1969 116.1058 -206581.0961 17636.4504 0.0000 0.0000 34204.6528 -149875.5935 298.7177 -184080.2463 -149775.1230 297.5657 -170.9282 -139.7355 557358.9960 -7.6049 -7.6332 PRESSURE: 2242400 -15.6867 -72.7491 35.2479 -72.749 -192.875 -16.3739 35.2487 -16.374 -323.435 GPRESSURE: 2242400 8.53835 -84.8144 63.5159 -130.223 -151.708 -15.2081 -25.2508 23.4209 -288.242 PRESSAVG: 2242400 46.5509 1.73391 -24.03 1.73403 -47.0229 6.96764 -24.0299 6.96768 -2.00101 GPRESSAVG: 2242400 48.4791 2.55603 -25.0819 0.130749 -48.8776 5.85189 -24.0014 6.63001 -1.70324 TIMING: 2242400 CPU: 6760.26, 0.00302004/step Wall: 6760.26, 0.00302004/step, 2.31335 hours remaining, 209.316406 MB of memory in use. ENERGY: 2242400 736.7372 2065.3189 1918.7844 105.8178 -206189.7573 17539.7629 0.0000 0.0000 33847.3426 -149975.9935 295.5973 -183823.3362 -149879.1818 297.4864 -177.3324 -143.8039 558137.0142 -0.8243 -0.7006 PRESSURE: 2242600 -240.606 -20.5001 -22.2621 -20.4998 10.414 220.685 -22.2616 220.683 153.759 GPRESSURE: 2242600 -142.002 31.1103 0.10098 -105.685 -28.1047 200.519 0.0182964 164.842 180.344 PRESSAVG: 2242600 3.52569 -47.8171 15.2768 -47.8171 -28.345 58.8082 15.2767 58.8081 2.38077 GPRESSAVG: 2242600 3.39502 -49.5026 16.3342 -48.1839 -27.7708 57.905 14.9501 59.0494 1.89006 TIMING: 2242600 CPU: 6760.86, 0.00299113/step Wall: 6760.86, 0.00299113/step, 2.29104 hours remaining, 209.316406 MB of memory in use. ENERGY: 2242600 738.4497 2039.0678 1918.9818 109.0636 -206331.3000 17780.5009 0.0000 0.0000 33955.0313 -149790.2048 296.5377 -183745.2361 -149692.3195 297.1713 -25.4774 3.4125 557656.6536 -7.4795 -7.4953 PRESSURE: 2242800 61.3477 -5.7163 0.838382 -5.71613 -117.964 -21.0531 0.83805 -21.051 40.8479 GPRESSURE: 2242800 70.6167 -5.71851 16.9033 -20.8849 -60.5392 16.2532 82.4712 12.8872 64.9253 PRESSAVG: 2242800 -28.7384 -0.731879 -8.06202 -0.731946 -4.72247 67.359 -8.06202 67.3591 45.6533 GPRESSAVG: 2242800 -29.2491 1.7546 -8.42482 0.160063 -4.73608 69.7719 -7.93057 65.0163 45.4082 TIMING: 2242800 CPU: 6761.46, 0.00301072/step Wall: 6761.46, 0.00301072/step, 2.30588 hours remaining, 209.328125 MB of memory in use. ENERGY: 2242800 743.2927 2130.5022 1917.8520 119.0720 -206675.4041 17968.5569 0.0000 0.0000 34073.5738 -149722.5545 297.5730 -183796.1284 -149627.4546 297.6573 -5.2561 25.0009 557835.9637 4.0641 3.8077 PRESSURE: 2243000 -113.38 -104.49 -14.8089 -104.489 -17.516 -53.9314 -14.8097 -53.9299 -258.914 GPRESSURE: 2243000 -94.0821 -34.116 23.5136 -92.7281 12.8461 -64.1431 10.7911 -130.635 -233.074 PRESSAVG: 2243000 61.2713 -25.8041 -9.3781 -25.8041 -12.5897 54.9608 -9.37811 54.9608 -48.6033 GPRESSAVG: 2243000 62.0137 -28.971 -7.09766 -25.3922 -13.1337 54.6365 -9.64979 54.3083 -48.4485 TIMING: 2243000 CPU: 6762.06, 0.00301093/step Wall: 6762.06, 0.00301093/step, 2.30587 hours remaining, 209.328125 MB of memory in use. ENERGY: 2243000 727.9464 2141.8890 1921.8968 121.1229 -206038.9565 17427.0331 0.0000 0.0000 33917.2575 -149781.8109 296.2078 -183699.0683 -149686.2042 297.7234 -129.9369 -104.7700 556993.4913 0.0261 0.1438 PRESSURE: 2243200 4.30155 -50.4696 -6.54766 -50.4699 52.8492 -60.1994 -6.54735 -60.1999 78.5288 GPRESSURE: 2243200 39.9933 29.1835 -38.9204 -82.44 95.5299 -81.6151 6.77567 -58.4161 112.441 PRESSAVG: 2243200 9.34395 -37.6442 -55.7997 -37.6442 0.799939 -3.24363 -55.7997 -3.24359 -13.114 GPRESSAVG: 2243200 8.9501 -35.2314 -57.6676 -38.3224 1.25349 -3.52153 -56.2031 -2.78566 -13.1097 TIMING: 2243200 CPU: 6762.66, 0.00299828/step Wall: 6762.66, 0.00299828/step, 2.29601 hours remaining, 209.328125 MB of memory in use. ENERGY: 2243200 743.8535 2041.2641 1953.7560 103.2574 -207009.8453 18209.8866 0.0000 0.0000 34033.0793 -149924.7485 297.2193 -183957.8278 -149833.5216 297.4619 45.2265 82.6547 558086.6258 -0.9900 -0.9687 PRESSURE: 2243400 -345.215 -97.8585 114.701 -97.8593 -201.954 -116.454 114.7 -116.454 -17.5264 GPRESSURE: 2243400 -302.249 -23.118 234.444 -136.848 -151.06 -88.2244 45.7986 -136.646 -6.69305 PRESSAVG: 2243400 2.53372 -28.7642 0.459772 -28.7642 -64.8754 29.7705 0.459691 29.7706 23.8228 GPRESSAVG: 2243400 3.16262 -28.7349 1.11554 -28.1621 -64.3455 30.2426 1.65922 29.9751 22.7444 TIMING: 2243400 CPU: 6763.27, 0.00301145/step Wall: 6763.27, 0.00301145/step, 2.30593 hours remaining, 209.328125 MB of memory in use. ENERGY: 2243400 769.7595 2050.7346 1941.1252 116.5935 -206275.0704 17675.2754 0.0000 0.0000 33857.4320 -149864.1502 295.6854 -183721.5822 -149771.5596 297.1936 -188.2318 -153.3341 558508.2059 -12.8396 -12.8128 PRESSURE: 2243600 -246.96 -46.0925 -5.09402 -46.0924 -254.517 62.3016 -5.09351 62.3003 -188.521 GPRESSURE: 2243600 -261.972 -100.583 -79.1278 26.1322 -220.806 166.412 114.73 75.962 -109.946 PRESSAVG: 2243600 -16.4525 -22.4193 -8.00809 -22.4194 26.7077 2.97064 -8.00808 2.97073 29.0304 GPRESSAVG: 2243600 -17.0545 -24.0447 -9.31155 -23.5766 25.8474 2.96278 -8.69936 4.11982 30.6343 TIMING: 2243600 CPU: 6763.86, 0.00298861/step Wall: 6763.86, 0.00298861/step, 2.28828 hours remaining, 209.328125 MB of memory in use. ENERGY: 2243600 761.4369 2112.4225 1924.8496 111.6264 -206174.2587 17545.2653 0.0000 0.0000 34058.4020 -149660.2560 297.4405 -183718.6580 -149560.8158 297.4115 -229.9993 -197.5747 558664.3678 13.0952 13.1424 PRESSURE: 2243800 -29.9902 39.0046 131.762 39.0039 79.1736 -121.853 131.762 -121.853 -42.1973 GPRESSURE: 2243800 23.7083 79.2916 133.265 13.618 96.8919 -96.2446 144.13 -112.066 -33.5659 PRESSAVG: 2243800 -23.3796 5.99257 -9.44812 5.99257 34.1186 -4.89913 -9.44812 -4.89911 16.6896 GPRESSAVG: 2243800 -22.2842 4.51679 -10.6832 9.08058 34.1134 -2.70694 -9.11789 -6.83823 15.9497 TIMING: 2243800 CPU: 6764.47, 0.00301024/step Wall: 6764.47, 0.00301024/step, 2.30468 hours remaining, 209.328125 MB of memory in use. ENERGY: 2243800 740.6404 2099.1609 1911.7244 120.2165 -206351.6324 17927.0801 0.0000 0.0000 33998.5887 -149554.2215 296.9181 -183552.8101 -149461.0761 297.4349 2.3287 29.0114 557587.0985 9.1429 9.2596 PRESSURE: 2244000 -44.9347 -15.6324 22.8836 -15.6339 -118.615 57.7542 22.8828 57.7543 -54.1711 GPRESSURE: 2244000 29.4177 -114.973 -57.159 1.02709 -143.023 84.1056 143.968 33.7262 -12.5435 PRESSAVG: 2244000 -25.5226 13.7301 33.0627 13.7302 -16.6703 -39.0231 33.0627 -39.023 14.3518 GPRESSAVG: 2244000 -26.3725 16.1425 33.119 12.4124 -16.3033 -40.3032 31.7272 -36.764 15.7556 TIMING: 2244000 CPU: 6765.06, 0.00298147/step Wall: 6765.06, 0.00298147/step, 2.28248 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: 2244000 757.0165 2117.0520 1937.2495 117.8849 -206371.2311 17811.3275 0.0000 0.0000 34093.5948 -149537.1059 297.7478 -183630.7008 -149432.3698 298.0395 -72.5735 -42.0497 559189.0884 -9.2804 -8.9734 PRESSURE: 2244200 -60.0387 -22.0981 19.9739 -22.0994 -269.307 -86.7417 19.9743 -86.7403 -292.847 GPRESSURE: 2244200 -45.6421 43.6452 -3.34977 -103.62 -263.33 -57.83 53.2004 -24.0929 -207.831 PRESSAVG: 2244200 22.1124 0.249407 26.2717 0.249529 -89.4082 -14.0444 26.2717 -14.0444 63.5375 GPRESSAVG: 2244200 22.3307 -0.23914 28.7571 -0.0615515 -89.0194 -13.1981 25.3244 -14.1392 63.0312 TIMING: 2244200 CPU: 6765.66, 0.00299303/step Wall: 6765.66, 0.00299303/step, 2.29117 hours remaining, 209.328125 MB of memory in use. ENERGY: 2244200 758.4170 2104.8421 1950.2062 116.6636 -206131.9632 17455.3458 0.0000 0.0000 34209.7108 -149536.7778 298.7619 -183746.4886 -149437.2534 299.0286 -207.3975 -172.2676 558609.1266 -1.2528 -1.2192 LDB: ============= START OF LOAD BALANCING ============== 6769.18 LDB: ============== END OF LOAD BALANCING =============== 6769.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6769.18 LDB: ============= START OF LOAD BALANCING ============== 6769.49 LDB: Largest compute 4772 load 0.032319 is 27.4% of average load 0.118098 LDB: Average compute 0.001722 is 1.5% of average load 0.118098 LDB: TIME 6769.49 LOAD: AVG 0.118098 MAX 0.208678 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211 MB LDB: TIME 6769.49 LOAD: AVG 0.118098 MAX 0.208678 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.07 MB LDB: TIME 6769.49 LOAD: AVG 0.118098 MAX 0.208678 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.07 MB LDB: ============== END OF LOAD BALANCING =============== 6769.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6769.5 PRESSURE: 2244400 -42.9599 38.2171 -83.7289 38.2172 -374.486 -124.205 -83.7309 -124.204 -156.881 GPRESSURE: 2244400 -61.1747 22.0056 -60.7413 -46.5787 -244.027 -59.7122 -164.941 -166.816 -178.645 PRESSAVG: 2244400 82.7217 -23.056 53.7 -23.0559 -54.7151 1.72219 53.7001 1.72214 -3.31261 GPRESSAVG: 2244400 82.4217 -21.6107 52.8968 -22.437 -54.1755 2.20698 55.3632 1.15213 -3.82121 TIMING: 2244400 CPU: 6766.28, 0.00309932/step Wall: 6766.28, 0.00309932/step, 2.37236 hours remaining, 209.769531 MB of memory in use. ENERGY: 2244400 737.8688 2070.5304 1908.0671 112.5133 -206303.5255 17625.3596 0.0000 0.0000 34168.7224 -149680.4639 298.4040 -183849.1863 -149580.5439 298.2864 -191.4422 -161.2824 558678.0120 8.2313 8.1417 PRESSURE: 2244600 -102.755 -6.82025 6.82983 -6.81893 129 -92.9912 6.83028 -92.9911 -47.6919 GPRESSURE: 2244600 -76.7057 68.0385 46.9356 -58.0379 140.889 -106.199 -40.98 -153.265 3.80806 PRESSAVG: 2244600 9.93766 28.2231 -1.39261 28.2231 -73.8336 -29.384 -1.39263 -29.384 42.3108 GPRESSAVG: 2244600 9.41629 26.8096 -2.63401 28.9314 -74.1444 -30.497 -0.264319 -30.4598 43.0279 TIMING: 2244600 CPU: 6766.89, 0.00302057/step Wall: 6766.89, 0.00302057/step, 2.31191 hours remaining, 209.769531 MB of memory in use. ENERGY: 2244600 739.1913 2119.7692 1900.1223 111.6460 -206750.4261 18016.9721 0.0000 0.0000 34167.2362 -149695.4891 298.3910 -183862.7253 -149596.7825 298.5959 -7.1488 22.6639 557529.2984 -7.1950 -7.2334 PRESSURE: 2244800 95.4505 82.9806 -141.567 82.981 -91.2926 -151.241 -141.567 -151.241 -31.0445 GPRESSURE: 2244800 102.442 120.604 -195.325 105.065 -60.0557 -140.917 -102.675 -145.562 24.3763 PRESSAVG: 2244800 -7.04096 39.6987 19.1381 39.6986 -31.2092 -35.245 19.138 -35.2449 21.4563 GPRESSAVG: 2244800 -6.24441 43.0627 19.5634 36.2765 -32.1146 -35.7621 18.9609 -34.5319 21.0133 TIMING: 2244800 CPU: 6767.48, 0.00299277/step Wall: 6767.48, 0.00299277/step, 2.29047 hours remaining, 209.769531 MB of memory in use. ENERGY: 2244800 758.3319 2100.7453 1917.1231 134.7313 -206525.4767 17865.2686 0.0000 0.0000 34037.7773 -149711.4991 297.2604 -183749.2764 -149609.5586 297.5100 -8.9622 22.2541 556363.8537 -5.5980 -5.7819 PRESSURE: 2245000 44.806 92.2514 85.6194 92.2508 -84.1623 -127.627 85.6199 -127.627 102.063 GPRESSURE: 2245000 151.121 100.842 28.5367 113.344 -90.4324 -128.278 13.2083 -220.021 94.4313 PRESSAVG: 2245000 12.1623 36.5551 -9.05518 36.555 -5.95004 -46.2518 -9.05506 -46.2517 8.46878 GPRESSAVG: 2245000 11.4327 31.4932 -8.08532 41.0382 -4.29696 -45.7044 -10.6467 -46.7235 7.67839 TIMING: 2245000 CPU: 6768.08, 0.00297414/step Wall: 6768.08, 0.00297414/step, 2.27604 hours remaining, 209.769531 MB of memory in use. ENERGY: 2245000 729.4987 2114.0261 1903.0712 120.1149 -206569.3551 17871.7931 0.0000 0.0000 33938.5680 -149892.2832 296.3940 -183830.8512 -149795.1767 297.0238 20.9023 51.7065 556550.9554 4.8937 4.9380 PRESSURE: 2245200 264.267 -88.7572 64.4675 -88.7564 73.8892 -62.7749 64.4675 -62.7735 300.138 GPRESSURE: 2245200 335.05 -92.6494 34.877 -125.62 60.734 17.2068 1.08384 -64.0082 328.669 PRESSAVG: 2245200 20.7286 50.2578 -10.107 50.2577 13.5092 29.4431 -10.1069 29.4432 -19.5399 GPRESSAVG: 2245200 21.6384 53.7863 -11.6129 45.6461 11.2999 29.1908 -8.93266 30.7057 -19.146 TIMING: 2245200 CPU: 6768.69, 0.00304687/step Wall: 6768.69, 0.00304687/step, 2.33153 hours remaining, 209.769531 MB of memory in use. ENERGY: 2245200 702.4084 2060.9406 1919.6398 118.1011 -206842.6536 18256.9189 0.0000 0.0000 34115.8375 -149668.8074 297.9421 -183784.6448 -149571.3255 297.2216 212.7647 241.4844 556190.0986 4.8993 4.5974 PRESSURE: 2245400 -75.7404 -184.626 28.7421 -184.627 -57.3486 80.9835 28.743 80.9846 -334.337 GPRESSURE: 2245400 -59.6816 -139.713 -44.433 -273.287 -79.787 4.71499 114.508 134.223 -241.493 PRESSAVG: 2245400 -19.7627 -37.7376 8.71287 -37.7376 -46.6597 11.2589 8.71281 11.2588 26.0686 GPRESSAVG: 2245400 -19.8392 -36.8664 9.48775 -36.1676 -46.487 10.3547 9.01427 12.6834 25.8797 TIMING: 2245400 CPU: 6769.3, 0.00304258/step Wall: 6769.3, 0.00304258/step, 2.32808 hours remaining, 209.769531 MB of memory in use. ENERGY: 2245400 791.0393 2094.9644 1955.0404 124.6078 -206442.1679 17714.4866 0.0000 0.0000 34359.0347 -149402.9949 300.0660 -183762.0296 -149312.3882 299.2889 -155.8088 -126.9872 557514.7106 -13.4513 -13.4821 PRESSURE: 2245600 83.6903 26.2876 -30.598 26.2875 37.5262 -62.8568 -30.5988 -62.8581 99.7009 GPRESSURE: 2245600 110.433 40.5308 -6.14494 94.3742 34.2874 -109.152 -77.176 -0.323758 165.193 PRESSAVG: 2245600 -15.505 -50.5733 -12.0665 -50.5733 38.3171 72.0001 -12.0665 72.0001 3.20221 GPRESSAVG: 2245600 -16.228 -52.7748 -11.0339 -51.0725 37.5172 72.8053 -11.2518 69.295 4.06521 TIMING: 2245600 CPU: 6769.9, 0.00302379/step Wall: 6769.9, 0.00302379/step, 2.31353 hours remaining, 209.769531 MB of memory in use. ENERGY: 2245600 760.2317 2135.1121 1918.3771 115.8134 -206578.1826 18052.1371 0.0000 0.0000 34232.0128 -149364.4984 298.9567 -183596.5112 -149270.2248 299.0589 73.6391 103.3044 558143.4688 8.6714 8.4515 PRESSURE: 2245800 363.918 -67.165 -44.3609 -67.1653 234.223 9.76523 -44.3629 9.76601 120.383 GPRESSURE: 2245800 414.755 -87.563 -24.9711 -82.8641 247.601 -14.6874 -23.5544 -25.884 122.95 PRESSAVG: 2245800 16.5442 22.3152 6.05589 22.3152 -49.578 -16.5793 6.0559 -16.5791 35.413 GPRESSAVG: 2245800 16.3578 22.815 2.86835 21.9796 -48.8021 -17.57 6.92009 -17.0897 34.8619 TIMING: 2245800 CPU: 6770.51, 0.00302842/step Wall: 6770.51, 0.00302842/step, 2.31691 hours remaining, 209.769531 MB of memory in use. ENERGY: 2245800 745.7022 2106.6932 1943.1717 124.2951 -206737.7731 18114.9355 0.0000 0.0000 34289.3793 -149413.5961 299.4577 -183702.9754 -149318.1127 298.8553 239.5079 261.7685 555808.3997 0.7931 0.8059 PRESSURE: 2246000 -59.1058 177.263 -181.103 177.264 -212.571 59.4586 -181.104 59.459 -166.708 GPRESSURE: 2246000 -64.0915 235.994 -195.252 131.362 -218.457 61.8847 -183.169 126.005 -64.5098 PRESSAVG: 2246000 -6.50272 16.2419 -10.7702 16.2419 -41.6496 26.2214 -10.7702 26.2213 44.8342 GPRESSAVG: 2246000 -6.97625 16.349 -10.0194 18.0971 -40.8447 30.041 -11.8912 26.8257 44.4654 TIMING: 2246000 CPU: 6771.11, 0.00302565/step Wall: 6771.11, 0.00302565/step, 2.31462 hours remaining, 209.769531 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: 2246000 760.1623 2115.3473 1944.7241 124.4716 -206220.7044 17572.0702 0.0000 0.0000 34259.5576 -149444.3713 299.1972 -183703.9289 -149346.3779 299.5821 -146.1284 -115.6861 557327.5915 -1.1060 -1.1185 PRESSURE: 2246200 117.917 139.04 65.2669 139.041 -218.046 31.5632 65.2673 31.5628 -48.4928 GPRESSURE: 2246200 86.6836 75.8855 -9.08784 264.377 -182.023 60.2972 5.77778 -13.0059 34.8331 PRESSAVG: 2246200 -44.9393 -14.7865 -38.5423 -14.7865 4.41625 7.24098 -38.5423 7.24092 26.923 GPRESSAVG: 2246200 -45.9266 -13.2436 -38.1579 -16.0249 4.6179 5.27329 -38.4913 7.92205 27.4929 TIMING: 2246200 CPU: 6771.72, 0.00305599/step Wall: 6771.72, 0.00305599/step, 2.33766 hours remaining, 209.769531 MB of memory in use. ENERGY: 2246200 759.8185 2120.1150 1943.1690 117.8289 -206424.0819 17641.5027 0.0000 0.0000 34597.9737 -149243.6742 302.1527 -183841.6479 -149140.5070 299.3907 -49.5407 -20.1688 555845.4037 -4.5333 -4.6053 PRESSURE: 2246400 140.782 -19.6501 -216.491 -19.6491 69.549 -13.3602 -216.491 -13.36 158.2 GPRESSURE: 2246400 174.386 76.2976 -131.55 -31.2366 86.0244 -70.0112 -239.075 -19.4838 211.203 PRESSAVG: 2246400 36.0994 80.7199 20.9112 80.7199 -24.4184 3.03213 20.9112 3.03219 10.8244 GPRESSAVG: 2246400 36.5544 79.1617 20.2101 79.8777 -25.1377 3.42385 19.4988 3.52973 10.4494 TIMING: 2246400 CPU: 6772.33, 0.00305582/step Wall: 6772.33, 0.00305582/step, 2.33736 hours remaining, 209.769531 MB of memory in use. ENERGY: 2246400 694.4390 2140.9725 1882.8809 120.2789 -206051.0707 17826.3540 0.0000 0.0000 34199.1111 -149187.0341 298.6693 -183386.1452 -149084.5110 299.5524 122.8437 157.2045 557154.7989 7.5018 7.2887 PRESSURE: 2246600 -187.12 -7.35516 -166.963 -7.35519 -195.834 89.0108 -166.962 89.0117 -109.001 GPRESSURE: 2246600 -243.699 -10.8609 -72.986 -78.8712 -94.6865 83.7183 -186.69 -11.0474 -59.1208 PRESSAVG: 2246600 26.0515 33.0017 -9.22229 33.0018 -21.9555 7.25871 -9.22234 7.2587 -4.80868 GPRESSAVG: 2246600 26.0329 32.8034 -5.73299 35.9152 -22.8234 6.98129 -8.25393 6.91258 -3.94445 TIMING: 2246600 CPU: 6772.94, 0.00302092/step Wall: 6772.94, 0.00302092/step, 2.3105 hours remaining, 209.769531 MB of memory in use. ENERGY: 2246600 746.6677 2146.1404 1926.6347 107.8325 -205882.7179 17475.9423 0.0000 0.0000 34230.6080 -149248.8922 298.9444 -183479.5003 -149147.2158 299.5691 -163.9850 -132.5022 558898.9089 -0.2375 -0.2450 PRESSURE: 2246800 244.426 -10.1788 -91.4178 -10.1791 -138.527 -59.0778 -91.4192 -59.0759 234.222 GPRESSURE: 2246800 267.005 -67.3864 -73.3757 -32.6086 -129.146 33.7095 -31.4975 -70.0857 300.871 PRESSAVG: 2246800 -11.7788 30.1147 19.3466 30.1147 -46.9476 6.84224 19.3466 6.84221 75.1833 GPRESSAVG: 2246800 -11.6591 32.7409 16.6132 28.138 -45.2239 5.37696 18.9629 8.03175 73.5194 TIMING: 2246800 CPU: 6773.54, 0.00302126/step Wall: 6773.54, 0.00302126/step, 2.31059 hours remaining, 209.769531 MB of memory in use. ENERGY: 2246800 736.8730 2138.2058 1894.1057 104.5738 -206111.4836 17753.9854 0.0000 0.0000 34034.9563 -149448.7836 297.2357 -183483.7399 -149348.1686 298.1421 113.3740 146.2429 557613.0897 5.4856 5.5455 PRESSURE: 2247000 177.414 0.841474 -120.717 0.841655 -112.838 -110.426 -120.717 -110.427 -104.054 GPRESSURE: 2247000 213.287 -21.9469 -136.849 67.2584 -90.2642 -109.576 -151.997 -72.1321 -75.9268 PRESSAVG: 2247000 44.7648 -34.563 -12.4332 -34.563 -116.008 -11.4165 -12.4333 -11.4164 52.0222 GPRESSAVG: 2247000 44.552 -36.9575 -11.3255 -33.981 -117.089 -10.6676 -11.8913 -12.8484 53.8457 TIMING: 2247000 CPU: 6774.15, 0.00301158/step Wall: 6774.15, 0.00301158/step, 2.30302 hours remaining, 209.769531 MB of memory in use. ENERGY: 2247000 704.4223 2066.1044 1925.2820 106.6817 -205908.2539 17683.9678 0.0000 0.0000 34033.9592 -149387.8365 297.2270 -183421.7957 -149291.1778 298.1392 -13.1592 15.6986 558237.8969 -6.4071 -6.2305 PRESSURE: 2247200 9.88404 20.1335 -153.453 20.1337 -113.864 32.1457 -153.453 32.1431 173.881 GPRESSURE: 2247200 44.8866 4.92026 -199.128 -51.6994 -79.1776 2.2245 -148.116 100.611 211.104 PRESSAVG: 2247200 17.6492 -9.30082 5.19236 -9.30087 -75.3217 -23.8926 5.1923 -23.8929 51.068 GPRESSAVG: 2247200 18.6973 -8.12787 6.43974 -9.34973 -74.9541 -23.39 3.0062 -24.3174 49.9206 TIMING: 2247200 CPU: 6774.75, 0.00302878/step Wall: 6774.75, 0.00302878/step, 2.31601 hours remaining, 209.769531 MB of memory in use. ENERGY: 2247200 746.1552 1962.9537 1949.5831 118.8961 -206612.4062 18033.5037 0.0000 0.0000 34292.1807 -149509.1338 299.4821 -183801.3145 -149410.2975 297.7857 23.3005 58.9377 558311.4202 -2.2015 -2.1121 PRESSURE: 2247400 -45.269 4.69643 -10.79 4.69787 -114.922 -22.7205 -10.7901 -22.7202 -28.6674 GPRESSURE: 2247400 32.5719 -6.76354 -10.2665 15.33 -108.699 -114.71 -41.6405 14.7684 -11.6351 PRESSAVG: 2247400 42.0276 44.2258 -10.8552 44.2259 -3.47786 14.0175 -10.8552 14.0176 -32.692 GPRESSAVG: 2247400 41.6675 43.7271 -12.0616 44.7147 -3.39947 12.9312 -8.77101 14.65 -32.9939 TIMING: 2247400 CPU: 6775.36, 0.0030352/step Wall: 6775.36, 0.0030352/step, 2.32074 hours remaining, 209.769531 MB of memory in use. ENERGY: 2247400 765.0225 2088.7474 1948.0240 104.2924 -206360.9818 17845.7767 0.0000 0.0000 33963.6771 -149645.4416 296.6132 -183609.1187 -149553.2298 297.8530 -62.9529 -29.2540 558247.9823 1.9526 1.7580 PRESSURE: 2247600 -359.399 -22.0192 -18.5993 -22.0188 -50.6633 44.925 -18.5977 44.9246 -212.445 GPRESSURE: 2247600 -338.332 -65.0949 27.5317 14.3623 -52.4534 82.8133 -17.001 -17.7121 -134.484 PRESSAVG: 2247600 -24.7371 -19.0295 39.5812 -19.0296 -33.8057 -10.8839 39.5812 -10.8838 35.0752 GPRESSAVG: 2247600 -24.896 -20.7057 37.2184 -18.0332 -33.6547 -9.66699 39.8644 -10.1428 35.1824 TIMING: 2247600 CPU: 6775.96, 0.00301598/step Wall: 6775.96, 0.00301598/step, 2.30588 hours remaining, 209.769531 MB of memory in use. ENERGY: 2247600 724.7189 2052.6333 1928.0777 115.2602 -206018.7535 17605.9511 0.0000 0.0000 33965.8394 -149626.2729 296.6321 -183592.1123 -149531.7244 297.8367 -207.5021 -175.0897 558796.3243 -7.8226 -7.7895 PRESSURE: 2247800 197.749 -40.555 58.6772 -40.5555 -149.664 -235.137 58.6786 -235.138 90.349 GPRESSURE: 2247800 174.815 44.3336 -8.38712 -37.8301 -124.991 -272.589 72.3126 -113.83 173.015 PRESSAVG: 2247800 -7.51739 -34.6133 -11.7008 -34.6134 -25.46 -33.9035 -11.7008 -33.9034 74.936 GPRESSAVG: 2247800 -8.09213 -32.3818 -10.6078 -37.6473 -25.6388 -33.6617 -11.6319 -34.3826 75.3332 TIMING: 2247800 CPU: 6776.56, 0.00301182/step Wall: 6776.56, 0.00301182/step, 2.30254 hours remaining, 209.769531 MB of memory in use. ENERGY: 2247800 719.0681 2109.5759 1947.4502 113.0528 -206625.3948 17950.9832 0.0000 0.0000 34168.7372 -149616.5274 298.4041 -183785.2646 -149520.8708 297.8282 46.1446 74.2796 556895.2101 13.9862 13.8674 PRESSURE: 2248000 -125.711 -62.8128 75.7994 -62.8116 11.7659 15.8822 75.7993 15.8818 6.80753 GPRESSURE: 2248000 -63.2324 -121.538 73.1649 -62.11 41.7363 28.802 69.6982 -74.3441 17.1684 PRESSAVG: 2248000 37.8401 -48.738 -20.2783 -48.738 -30.4541 -5.22627 -20.2783 -5.2264 19.9464 GPRESSAVG: 2248000 37.177 -48.7498 -20.3751 -48.5683 -30.2483 -5.36717 -21.7817 -5.54121 20.2923 TIMING: 2248000 CPU: 6777.17, 0.00301139/step Wall: 6777.17, 0.00301139/step, 2.30204 hours remaining, 209.769531 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: 2248000 735.3287 2105.1210 1912.7065 92.1787 -206120.8711 17774.2066 0.0000 0.0000 34011.7675 -149489.5620 297.0332 -183501.3296 -149388.5071 298.3306 -35.7124 -1.4426 556766.5444 9.1108 9.0737 PRESSURE: 2248200 113.977 40.0628 44.6369 40.0629 107.173 81.3996 44.6369 81.4004 -165.182 GPRESSURE: 2248200 136.991 38.0531 89.3932 8.60183 161.87 39.0807 88.2638 30.5773 -128.243 PRESSAVG: 2248200 57.6832 24.0999 -12.1725 24.0999 -17.6453 14.5853 -12.1724 14.5853 -68.1327 GPRESSAVG: 2248200 59.1831 20.5604 -10.249 26.1753 -18.4199 14.6815 -12.2951 16.7735 -68.8436 TIMING: 2248200 CPU: 6777.77, 0.00301171/step Wall: 6777.77, 0.00301171/step, 2.30212 hours remaining, 209.769531 MB of memory in use. ENERGY: 2248200 730.1369 2074.5994 1928.9721 114.5662 -206076.1825 17711.1094 0.0000 0.0000 34191.3067 -149325.4918 298.6012 -183516.7985 -149227.7031 298.4983 18.6562 56.8726 556913.3190 -9.3649 -9.3601 LDB: ============= START OF LOAD BALANCING ============== 6781.28 LDB: ============== END OF LOAD BALANCING =============== 6781.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6781.29 LDB: ============= START OF LOAD BALANCING ============== 6781.59 LDB: Largest compute 4772 load 0.031166 is 26.4% of average load 0.118094 LDB: Average compute 0.001730 is 1.5% of average load 0.118094 LDB: TIME 6781.59 LOAD: AVG 0.118094 MAX 0.205099 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.996 MB LDB: TIME 6781.59 LOAD: AVG 0.118094 MAX 0.205099 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: TIME 6781.59 LOAD: AVG 0.118094 MAX 0.205099 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6781.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6781.6 PRESSURE: 2248400 -15.7324 -29.2332 60.1111 -29.2329 -262.316 164.153 60.1112 164.152 -140.614 GPRESSURE: 2248400 -8.17318 -12.2206 36.7061 -2.64787 -254.762 161.598 49.375 107.107 -73.9457 PRESSAVG: 2248400 3.28085 -49.8018 -20.0693 -49.8018 7.44747 -13.6142 -20.0694 -13.6142 -24.5217 GPRESSAVG: 2248400 3.17122 -48.6793 -20.5147 -51.0974 8.35742 -13.7735 -20.2893 -16.0207 -25.6016 TIMING: 2248400 CPU: 6778.38, 0.00305605/step Wall: 6778.38, 0.00305605/step, 2.33584 hours remaining, 207.972656 MB of memory in use. ENERGY: 2248400 713.7564 2172.1049 1905.5732 107.4157 -205989.3348 17561.8578 0.0000 0.0000 34075.7330 -149452.8939 297.5919 -183528.6269 -149354.7354 298.4989 -139.5542 -112.2935 557740.9555 -4.5978 -4.6910 PRESSURE: 2248600 -287.96 -56.2519 110.759 -56.2508 -223.159 19.9486 110.76 19.9487 16.3315 GPRESSURE: 2248600 -258.975 -49.1219 157.124 -64.6511 -156.481 4.66712 57.8733 58.6779 38.7951 PRESSAVG: 2248600 46.2875 42.7156 1.55997 42.7156 -52.5057 -45.9873 1.56 -45.9873 28.557 GPRESSAVG: 2248600 45.9069 44.6888 1.04375 41.8605 -53.2134 -48.052 1.46306 -45.3275 30.0407 TIMING: 2248600 CPU: 6778.98, 0.00302297/step Wall: 6778.98, 0.00302297/step, 2.31039 hours remaining, 208.175781 MB of memory in use. ENERGY: 2248600 753.9271 2095.2845 1926.1785 105.0885 -206157.8096 17602.1205 0.0000 0.0000 34073.5355 -149601.6750 297.5727 -183675.2105 -149510.0774 298.0171 -164.9293 -125.5538 557162.4213 7.4463 7.5781 PRESSURE: 2248800 -36.5308 -83.5335 211.66 -83.5324 213.271 -31.7351 211.66 -31.7354 47.6844 GPRESSURE: 2248800 17.9004 -131.728 197.317 -63.7446 215.619 6.15353 115.797 -54.5987 77.0454 PRESSAVG: 2248800 -47.4672 -16.2084 13.1347 -16.2084 7.22812 -5.99017 13.1347 -5.99016 41.1889 GPRESSAVG: 2248800 -47.4315 -16.5314 12.9277 -14.654 7.01998 -2.50728 13.0024 -5.45844 41.6177 TIMING: 2248800 CPU: 6779.59, 0.00301972/step Wall: 6779.59, 0.00301972/step, 2.30774 hours remaining, 208.175781 MB of memory in use. ENERGY: 2248800 725.9628 2115.4770 1920.7726 118.0383 -206675.6189 17989.1833 0.0000 0.0000 34126.6819 -149679.5030 298.0368 -183806.1849 -149585.2690 298.3022 74.8082 103.5217 556274.0233 0.3166 0.4021 PRESSURE: 2249000 -47.7423 220.337 31.5968 220.338 -52.7175 -58.5532 31.5968 -58.5544 -229.852 GPRESSURE: 2249000 -21.3703 217.872 25.9499 241.039 -9.36445 -109.762 58.3511 -99.2599 -184.314 PRESSAVG: 2249000 12.2767 44.343 -1.36062 44.343 6.79195 9.28163 -1.36063 9.28161 31.8261 GPRESSAVG: 2249000 12.1873 43.347 -1.38668 42.9116 7.05527 6.23137 0.418458 11.6214 30.7446 TIMING: 2249000 CPU: 6780.19, 0.00302166/step Wall: 6780.19, 0.00302166/step, 2.30905 hours remaining, 208.175781 MB of memory in use. ENERGY: 2249000 730.9291 2078.3207 1947.4157 126.9424 -206003.6063 17588.8991 0.0000 0.0000 34007.8176 -149523.2817 296.9987 -183531.0993 -149419.6687 298.3009 -110.1039 -71.6829 556437.5223 16.9649 16.6624 PRESSURE: 2249200 118.988 15.4289 -142.126 15.428 -57.4175 210.367 -142.126 210.366 -175.35 GPRESSURE: 2249200 132.134 104.597 -75.9403 -59.6468 -41.5919 165.664 -148.668 198.764 -102.303 PRESSAVG: 2249200 -15.7343 53.0775 -40.6122 53.0775 -15.4532 -37.6895 -40.6122 -37.6895 63.7781 GPRESSAVG: 2249200 -15.9806 52.2304 -41.2789 53.162 -15.2082 -36.9316 -41.5245 -39.2696 63.3734 TIMING: 2249200 CPU: 6780.79, 0.00300466/step Wall: 6780.79, 0.00300466/step, 2.2959 hours remaining, 208.175781 MB of memory in use. ENERGY: 2249200 732.0415 2101.0015 1918.0892 101.9847 -206581.2532 17957.7026 0.0000 0.0000 33954.1176 -149816.3160 296.5298 -183770.4336 -149717.9070 298.2202 -37.9263 -3.9203 557588.9943 10.8635 10.7282 PRESSURE: 2249400 -49.8666 27.935 -159.442 27.9363 -138.937 105.563 -159.443 105.563 71.8071 GPRESSURE: 2249400 -6.25187 37.1373 -140.778 3.88273 -107.004 61.4626 -274.377 162.398 82.487 PRESSAVG: 2249400 57.882 -13.0923 -33.8041 -13.0924 -29.4004 25.0383 -33.8041 25.0382 29.4835 GPRESSAVG: 2249400 57.5381 -12.7221 -32.2236 -11.7356 -29.6213 25.1166 -33.5266 24.7382 29.9777 TIMING: 2249400 CPU: 6781.39, 0.00297912/step Wall: 6781.39, 0.00297912/step, 2.27622 hours remaining, 208.175781 MB of memory in use. ENERGY: 2249400 734.4582 2080.4790 1928.2282 108.1171 -206643.7162 17918.0622 0.0000 0.0000 34007.3958 -149866.9755 296.9950 -183874.3714 -149772.3261 296.8763 -38.9988 -10.2564 558569.4475 19.3217 19.2982 PRESSURE: 2249600 62.4221 9.83176 97.2833 9.83107 316.129 37.5742 97.2835 37.5745 -24.9569 GPRESSURE: 2249600 101.692 -89.7304 176.023 56.8203 322.701 61.4905 52.0206 34.8091 27.0029 PRESSAVG: 2249600 -96.0674 33.931 -39.6411 33.931 7.53784 13.5831 -39.641 13.5831 46.5283 GPRESSAVG: 2249600 -96.0948 32.5467 -39.8207 31.8887 6.74505 14.0573 -40.4209 13.4587 47.7584 TIMING: 2249600 CPU: 6781.99, 0.00299187/step Wall: 6781.99, 0.00299187/step, 2.28579 hours remaining, 208.175781 MB of memory in use. ENERGY: 2249600 725.7442 2043.8890 1925.8435 106.1925 -206855.1399 18115.6091 0.0000 0.0000 34072.7391 -149865.1225 297.5657 -183937.8616 -149775.9251 296.5464 117.8648 150.4653 556690.2353 -14.0004 -13.8638 PRESSURE: 2249800 152.805 -117.554 -75.3071 -117.554 -32.3896 0.607172 -75.3067 0.605467 68.7638 GPRESSURE: 2249800 171.645 -92.77 23.7666 -126.449 -5.87859 11.9433 -151.38 -59.9715 121.114 PRESSAVG: 2249800 8.59979 -45.0514 -21.7559 -45.0513 -20.4912 4.36522 -21.7558 4.36516 -13.4228 GPRESSAVG: 2249800 8.62916 -41.7475 -22.273 -44.4038 -19.5678 3.0537 -22.3505 5.17094 -14.5991 TIMING: 2249800 CPU: 6782.59, 0.00299593/step Wall: 6782.59, 0.00299593/step, 2.28872 hours remaining, 208.175781 MB of memory in use. ENERGY: 2249800 718.7247 2044.2523 1952.2141 104.5739 -207032.0088 18046.2681 0.0000 0.0000 34195.2427 -149970.7331 298.6356 -184165.9758 -149872.7572 297.1721 63.0596 95.6267 557123.7345 -8.4381 -8.5126 PRESSURE: 2250000 394.162 49.4895 -38.2253 49.4886 269.825 62.2051 -38.2254 62.2024 348.114 GPRESSURE: 2250000 413.186 124.72 -123.136 93.0756 259.841 -13.0313 17.9561 125.87 440.423 PRESSAVG: 2250000 33.3738 21.2153 5.35556 21.2154 -9.36249 21.0328 5.35552 21.0327 -5.15458 GPRESSAVG: 2250000 33.0054 18.568 5.35271 20.6835 -9.74623 22.4704 6.23517 18.5669 -4.36089 TIMING: 2250000 CPU: 6783.19, 0.0030012/step Wall: 6783.19, 0.0030012/step, 2.29258 hours remaining, 208.175781 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: 2250000 701.5811 2087.0784 1908.6457 114.7970 -207113.8951 18317.9452 0.0000 0.0000 34152.3148 -149831.5329 298.2607 -183983.8477 -149729.9475 297.6815 337.3672 371.1500 557250.6181 6.2856 6.2994 PRESSURE: 2250200 -46.2749 117.31 58.0949 117.311 -54.8259 59.5713 58.0944 59.5712 -180.123 GPRESSURE: 2250200 13.9958 14.936 152.58 174.036 -30.6225 63.6433 4.5417 10.8346 -151.948 PRESSAVG: 2250200 26.2197 -15.6543 40.3294 -15.6543 -14.8821 29.3273 40.3293 29.3272 -0.988271 GPRESSAVG: 2250200 26.864 -15.73 40.9941 -15.6089 -14.6608 28.9547 39.0141 29.8147 -2.29557 TIMING: 2250200 CPU: 6783.78, 0.00298288/step Wall: 6783.78, 0.00298288/step, 2.27842 hours remaining, 208.175781 MB of memory in use. ENERGY: 2250200 748.1975 2100.2116 1943.3585 126.1342 -206786.9126 17904.5973 0.0000 0.0000 34078.1828 -149886.2307 297.6132 -183964.4135 -149786.3991 297.4106 -93.7412 -56.1916 558213.8915 3.4498 3.3025 PRESSURE: 2250400 -220.101 95.8249 -113.59 95.8256 -190.564 -50.4724 -113.59 -50.4739 71.2795 GPRESSURE: 2250400 -191.97 47.6063 -113.822 12.0753 -202.899 -145.787 -85.4681 -27.8708 146.54 PRESSAVG: 2250400 -0.488092 29.0586 7.9394 29.0585 -8.38221 18.3734 7.9393 18.3733 -4.79836 GPRESSAVG: 2250400 0.0264808 29.7046 6.94305 29.6064 -10.0702 20.9204 9.26583 18.3147 -4.15995 TIMING: 2250400 CPU: 6784.38, 0.00298732/step Wall: 6784.38, 0.00298732/step, 2.28165 hours remaining, 208.175781 MB of memory in use. ENERGY: 2250400 723.7728 2074.4479 1954.7052 130.3538 -206394.1398 17808.2755 0.0000 0.0000 34006.0642 -149696.5205 296.9834 -183702.5847 -149601.3020 297.2518 -113.1285 -82.7763 559063.2156 -4.5562 -4.7345 PRESSURE: 2250600 18.7343 -47.846 -48.804 -47.8459 19.7852 30.8127 -48.8033 30.812 193.938 GPRESSURE: 2250600 12.3045 -102.821 10.6707 -53.1126 107.009 27.5556 -8.68254 37.5529 199.248 PRESSAVG: 2250600 -20.9773 10.2228 35.3496 10.2228 -8.73901 20.7461 35.3496 20.7461 -14.1374 GPRESSAVG: 2250600 -22.1141 10.4513 35.3166 10.9465 -6.60924 18.1321 35.3965 20.7336 -15.2751 TIMING: 2250600 CPU: 6784.98, 0.00297517/step Wall: 6784.98, 0.00297517/step, 2.27221 hours remaining, 208.175781 MB of memory in use. ENERGY: 2250600 767.9998 2135.6348 1940.2932 121.8829 -206639.0790 18108.8569 0.0000 0.0000 33994.6982 -149569.7133 296.8842 -183564.4115 -149480.9360 297.2924 77.4859 106.1871 559331.1863 -14.6179 -14.6661 PRESSURE: 2250800 -213.986 -166.25 -81.9414 -166.25 -24.1324 76.2917 -81.9412 76.291 126.134 GPRESSURE: 2250800 -193.219 -169.554 -115.008 -208.682 35.3888 98.646 -72.218 134.452 143.204 PRESSAVG: 2250800 -16.6676 -8.53577 58.8345 -8.53578 30.1901 50.6759 58.8344 50.676 -31.3748 GPRESSAVG: 2250800 -16.3765 -10.0871 60.8808 -7.82187 29.3301 49.6613 56.3166 51.9956 -30.0589 TIMING: 2250800 CPU: 6785.57, 0.00299329/step Wall: 6785.57, 0.00299329/step, 2.28588 hours remaining, 208.175781 MB of memory in use. ENERGY: 2250800 740.7871 2153.8874 1936.3772 112.9977 -206477.8980 17807.7130 0.0000 0.0000 34056.1580 -149669.9777 297.4209 -183726.1357 -149572.6548 298.0030 -37.3280 -4.8754 556936.7023 -5.9508 -5.7018 PRESSURE: 2251000 -53.3127 90.6782 152.692 90.6771 28.9215 260.907 152.692 260.907 99.3293 GPRESSURE: 2251000 7.20951 33.7894 155.648 97.0297 67.1174 309.363 62.8078 213.373 110.688 PRESSAVG: 2251000 58.8687 27.7138 9.06784 27.7136 50.968 0.421251 9.06781 0.421195 -72.5416 GPRESSAVG: 2251000 58.5988 29.9382 7.71827 24.178 52.2738 2.10297 10.2745 -0.221251 -73.8564 TIMING: 2251000 CPU: 6786.17, 0.00299582/step Wall: 6786.17, 0.00299582/step, 2.28764 hours remaining, 208.175781 MB of memory in use. ENERGY: 2251000 736.4311 2075.6677 1932.4195 124.5143 -206625.1321 17907.4059 0.0000 0.0000 34084.3309 -149764.3627 297.6669 -183848.6936 -149667.7909 297.0482 24.9794 61.6718 556319.2979 12.4317 12.3387 PRESSURE: 2251200 -65.3447 -132.404 109.16 -132.403 180.345 -36.1084 109.159 -36.1083 -95.3941 GPRESSURE: 2251200 -57.7885 -162.618 81.8501 -38.6187 229.743 -56.6265 109.827 -29.0082 -44.5349 PRESSAVG: 2251200 36.701 -5.84412 42.3441 -5.84411 5.94208 30.8776 42.3441 30.8775 -23.1294 GPRESSAVG: 2251200 38.4921 -6.51627 41.9311 -4.57718 4.5835 30.1431 41.838 32.2429 -23.8514 TIMING: 2251200 CPU: 6786.78, 0.00301009/step Wall: 6786.78, 0.00301009/step, 2.29837 hours remaining, 208.175781 MB of memory in use. ENERGY: 2251200 745.0387 2090.8324 1943.5002 121.8961 -206734.3945 17978.3960 0.0000 0.0000 34257.6151 -149597.1159 299.1803 -183854.7310 -149500.4056 297.3794 6.5356 42.4732 556346.4217 6.5046 6.4081 PRESSURE: 2251400 -121.332 55.175 -113.384 55.174 196.302 135.232 -113.384 135.232 43.231 GPRESSURE: 2251400 -69.9972 4.15917 -22.2569 135.643 212.43 144.366 -94.5844 99.0637 60.8731 PRESSAVG: 2251400 -48.2708 32.0341 18.4474 32.0342 76.8391 24.3835 18.4474 24.3836 1.18416 GPRESSAVG: 2251400 -49.0784 29.1198 18.4028 35.4655 77.286 23.781 20.7259 22.8444 1.48284 TIMING: 2251400 CPU: 6787.38, 0.00301886/step Wall: 6787.38, 0.00301886/step, 2.3049 hours remaining, 208.175781 MB of memory in use. ENERGY: 2251400 736.9810 2100.1749 1929.1380 117.4700 -206488.4243 17845.9470 0.0000 0.0000 34290.6341 -149468.0793 299.4686 -183758.7134 -149376.2276 297.9665 39.4004 67.7686 556555.1431 9.9175 9.8968 PRESSURE: 2251600 -79.4943 -16.1978 -145.96 -16.1988 91.8013 -151.16 -145.961 -151.16 -185.945 GPRESSURE: 2251600 -14.8519 -62.5862 -123.83 52.8684 83.1369 -174.965 -132.797 -152.079 -145.729 PRESSAVG: 2251600 -13.4273 5.4761 -36.1866 5.47612 49.5286 24.6757 -36.1866 24.6757 -30.1737 GPRESSAVG: 2251600 -13.7138 6.35804 -38.8474 2.60398 48.2331 24.4242 -35.4696 25.3055 -28.8368 TIMING: 2251600 CPU: 6787.98, 0.00300157/step Wall: 6787.98, 0.00300157/step, 2.29153 hours remaining, 208.175781 MB of memory in use. ENERGY: 2251600 734.2899 2100.2824 1936.9218 104.1702 -206299.1833 17879.8020 0.0000 0.0000 34141.9723 -149401.7448 298.1703 -183543.7171 -149311.9681 299.1419 -57.8794 -25.8148 558164.2745 1.9758 1.8942 PRESSURE: 2251800 -132.984 -28.8891 -181.047 -28.8902 -107.582 -2.31463 -181.049 -2.31549 -145.335 GPRESSURE: 2251800 -75.0345 -67.5269 -208.296 -8.08201 -131.535 13.812 -147.827 23.5728 -72.016 PRESSAVG: 2251800 15.9911 -30.1708 -29.1983 -30.1708 -4.83963 -28.4185 -29.1983 -28.4185 -25.787 GPRESSAVG: 2251800 16.4495 -28.5305 -27.0909 -32.2692 -4.40414 -28.5043 -30.9988 -27.5307 -26.7508 TIMING: 2251800 CPU: 6788.58, 0.00301289/step Wall: 6788.58, 0.00301289/step, 2.30001 hours remaining, 208.175781 MB of memory in use. ENERGY: 2251800 776.4704 2066.0981 1916.7290 117.3485 -206285.4879 17801.3755 0.0000 0.0000 34170.0698 -149437.3967 298.4157 -183607.4665 -149339.3517 298.9066 -128.6335 -92.8620 557870.9289 -4.8785 -4.9018 PRESSURE: 2252000 -226.857 -12.052 97.2672 -12.0506 -177.525 22.1625 97.267 22.1602 -88.3778 GPRESSURE: 2252000 -228.338 75.42 169.419 -36.0363 -140.819 69.0932 97.5656 -18.7502 -27.3422 PRESSAVG: 2252000 -25.6529 3.20898 -21.9196 3.20894 -17.1458 24.9958 -21.9197 24.9957 12.7001 GPRESSAVG: 2252000 -27.0973 3.94732 -22.5595 3.64046 -16.6562 26.1005 -19.9863 21.7655 13.6843 TIMING: 2252000 CPU: 6789.18, 0.00301178/step Wall: 6789.18, 0.00301178/step, 2.29899 hours remaining, 208.175781 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: 2252000 751.6515 2135.5674 1928.8917 107.6425 -206155.2883 17526.1871 0.0000 0.0000 34161.6332 -149543.7149 298.3420 -183705.3481 -149445.1127 298.5468 -164.2531 -132.1665 557972.3586 -10.0328 -10.0231 PRESSURE: 2252200 228.333 -145.861 -11.6432 -145.862 134.319 55.1257 -11.6423 55.1261 -120.26 GPRESSURE: 2252200 183.829 -129.881 -35.851 -115.546 204.9 113.654 -4.74409 -5.48533 -64.5662 PRESSAVG: 2252200 -87.5333 -5.65027 -16.8082 -5.65035 106.188 -34.8421 -16.8083 -34.8422 -36.0271 GPRESSAVG: 2252200 -87.5834 -6.14212 -15.4727 -5.97253 106.612 -35.5185 -19.2853 -33.49 -36.3786 TIMING: 2252200 CPU: 6789.78, 0.00298326/step Wall: 6789.78, 0.00298326/step, 2.27706 hours remaining, 208.175781 MB of memory in use. ENERGY: 2252200 744.3742 2057.3388 1927.1716 122.1585 -206816.2687 18058.0963 0.0000 0.0000 34452.6543 -149454.4749 300.8836 -183907.1293 -149368.2552 298.3379 80.7970 108.0540 556707.9098 -5.7908 -5.7834 LDB: ============= START OF LOAD BALANCING ============== 6793.3 LDB: ============== END OF LOAD BALANCING =============== 6793.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6793.3 LDB: ============= START OF LOAD BALANCING ============== 6793.6 LDB: Largest compute 4772 load 0.031867 is 27.0% of average load 0.118043 LDB: Average compute 0.001724 is 1.5% of average load 0.118043 LDB: TIME 6793.6 LOAD: AVG 0.118043 MAX 0.203602 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.77 MB LDB: TIME 6793.6 LOAD: AVG 0.118043 MAX 0.203602 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.973 MB LDB: TIME 6793.6 LOAD: AVG 0.118043 MAX 0.203602 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.973 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6793.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6793.61 PRESSURE: 2252400 193.072 -204.262 19.5106 -204.263 -49.9952 -77.1994 19.511 -77.1999 -200.5 GPRESSURE: 2252400 240.415 -145.629 14.8428 -225.599 -28.1478 -126.95 53.6732 -47.7949 -173.99 PRESSAVG: 2252400 28.0645 1.43212 -19.2423 1.43213 22.7072 -3.14715 -19.2423 -3.1473 -22.013 GPRESSAVG: 2252400 29.1669 2.3864 -21.9814 1.42381 21.9771 -2.06024 -17.6252 -3.48627 -22.0078 TIMING: 2252400 CPU: 6790.39, 0.00304812/step Wall: 6790.39, 0.00304812/step, 2.32639 hours remaining, 209.253906 MB of memory in use. ENERGY: 2252400 697.6053 2076.3004 1933.8768 114.6443 -206428.5794 17770.5012 0.0000 0.0000 34326.9270 -149508.7245 299.7856 -183835.6515 -149406.9403 299.5639 -19.1409 12.7588 557291.4431 9.5863 9.7121 PRESSURE: 2252600 -13.2572 -3.51856 85.3927 -3.51713 112.32 -15.4487 85.3928 -15.4487 -154.758 GPRESSURE: 2252600 39.719 -42.4024 84.4246 52.1893 105.503 2.04072 87.6457 -72.384 -98.4544 PRESSAVG: 2252600 41.4117 32.991 -19.2175 32.991 -9.20595 17.7779 -19.2175 17.7778 -40.9147 GPRESSAVG: 2252600 40.8225 30.6328 -18.2698 34.6419 -8.09995 17.3899 -18.9235 18.4921 -41.2531 TIMING: 2252600 CPU: 6791, 0.0030607/step Wall: 6791, 0.0030607/step, 2.33583 hours remaining, 209.457031 MB of memory in use. ENERGY: 2252600 750.0704 2139.3035 1886.7897 106.8513 -206618.4582 18005.6170 0.0000 0.0000 34374.4955 -149355.3308 300.2010 -183729.8263 -149265.5803 299.2459 -18.5652 15.5893 558930.2127 -2.9030 -2.8435 PRESSURE: 2252800 104.75 -58.1274 -168.972 -58.1261 -53.4433 -12.9162 -168.973 -12.9168 254.095 GPRESSURE: 2252800 149.481 -32.6551 -177.513 -130.808 0.87069 -50.6348 -213.413 14.0651 251.903 PRESSAVG: 2252800 23.2108 -41.0899 10.7208 -41.0899 5.66743 39.0727 10.7207 39.0726 -0.531104 GPRESSAVG: 2252800 24.5717 -40.4074 10.6643 -40.4967 4.82491 37.948 10.4274 41.4816 -1.34021 TIMING: 2252800 CPU: 6791.6, 0.00300349/step Wall: 6791.6, 0.00300349/step, 2.292 hours remaining, 209.457031 MB of memory in use. ENERGY: 2252800 755.1037 2090.3933 1941.4366 104.5832 -206673.3480 18027.2127 0.0000 0.0000 34560.4385 -149194.1800 301.8249 -183754.6185 -149100.6158 299.5092 101.8006 134.0852 556945.0577 9.4490 9.3521 PRESSURE: 2253000 88.8265 47.9462 -9.88167 47.946 42.8171 32.1178 -9.88228 32.1204 139.286 GPRESSURE: 2253000 129.435 24.1079 3.22216 91.1598 132.847 -9.26652 -35.9637 51.4086 101.834 PRESSAVG: 2253000 -21.7657 -57.3217 -10.9864 -57.3217 24.7987 -16.374 -10.9865 -16.3739 34.6233 GPRESSAVG: 2253000 -21.4029 -55.557 -8.849 -58.8871 24.5849 -16.6217 -12.9113 -18.2573 34.9147 TIMING: 2253000 CPU: 6792.2, 0.00298483/step Wall: 6792.2, 0.00298483/step, 2.27759 hours remaining, 209.457031 MB of memory in use. ENERGY: 2253000 743.9137 2062.5149 1924.8898 109.0122 -206702.1553 18260.4892 0.0000 0.0000 34519.7961 -149081.5395 301.4700 -183601.3356 -148980.3550 299.3019 90.3099 121.3719 557856.5930 12.5521 12.6989 PRESSURE: 2253200 5.49646 80.7536 -156.283 80.7555 -315.872 199.056 -156.284 199.055 -14.0149 GPRESSURE: 2253200 32.4351 129.736 -105.53 60.0209 -226.062 214.308 -229.073 130.936 -24.9341 PRESSAVG: 2253200 -3.9826 -79.7294 -72.2156 -79.7293 -59.3542 -6.76991 -72.2156 -6.77 56.5283 GPRESSAVG: 2253200 -4.21362 -81.3619 -73.4966 -77.9302 -58.4053 -7.49753 -71.1851 -5.21311 56.3029 TIMING: 2253200 CPU: 6792.8, 0.00298225/step Wall: 6792.8, 0.00298225/step, 2.27545 hours remaining, 209.457031 MB of memory in use. ENERGY: 2253200 753.0550 2169.9509 1916.6203 103.0597 -205839.1359 17690.5783 0.0000 0.0000 34083.9237 -149121.9481 297.6634 -183205.8718 -149028.2964 299.5408 -108.1301 -72.8536 557931.6246 -2.2695 -2.1053 PRESSURE: 2253400 84.8921 -7.80245 126.053 -7.80287 150.277 179.195 126.051 179.195 -250.528 GPRESSURE: 2253400 130.784 -17.2397 28.3485 58.5166 201.621 71.9966 106.064 284.23 -238.12 PRESSAVG: 2253400 -23.1549 49.9215 35.3639 49.9215 16.8066 9.51073 35.364 9.51055 -19.9204 GPRESSAVG: 2253400 -23.2343 49.9468 33.7872 51.361 15.9821 10.6084 35.4112 8.8514 -19.3155 TIMING: 2253400 CPU: 6793.39, 0.00296436/step Wall: 6793.39, 0.00296436/step, 2.26164 hours remaining, 209.457031 MB of memory in use. ENERGY: 2253400 782.4386 2103.5336 1950.5917 124.5164 -206068.1518 17837.6597 0.0000 0.0000 34318.5521 -148950.8596 299.7125 -183269.4117 -148852.6405 300.6775 -5.1199 31.4283 557778.1841 -8.7562 -8.8559 PRESSURE: 2253600 313.841 -25.5019 -29.9081 -25.5018 32.1477 -11.7193 -29.909 -11.7214 33.2522 GPRESSURE: 2253600 319.795 -6.604 -25.9592 -108.668 87.5244 43.701 -69.143 -31.914 71.129 PRESSAVG: 2253600 38.0005 -24.0183 10.5744 -24.0183 -1.25042 -6.77871 10.5743 -6.77871 -62.3238 GPRESSAVG: 2253600 37.3547 -22.663 12.5275 -27.671 0.210608 -8.34077 9.47103 -6.56256 -62.2306 TIMING: 2253600 CPU: 6793.98, 0.00296417/step Wall: 6793.98, 0.00296417/step, 2.26134 hours remaining, 209.457031 MB of memory in use. ENERGY: 2253600 732.8708 2051.2053 1922.4990 130.2015 -206107.7245 17931.6452 0.0000 0.0000 34416.9340 -148922.3687 300.5716 -183339.3027 -148823.5296 299.9987 126.4138 159.4827 556948.3435 -8.5246 -8.2218 PRESSURE: 2253800 -28.4355 107.612 -43.3839 107.611 -118.761 110.621 -43.3833 110.624 19.5389 GPRESSURE: 2253800 14.5431 89.4952 -61.0139 34.2406 -135.025 64.5236 -110.84 224.689 88.691 PRESSAVG: 2253800 -5.36208 -17.1829 -6.93519 -17.183 -25.1802 68.6513 -6.93525 68.6513 22.9573 GPRESSAVG: 2253800 -3.99446 -19.7947 -6.19231 -15.7576 -27.5801 71.5546 -6.50928 68.7774 23.7854 TIMING: 2253800 CPU: 6794.58, 0.0029869/step Wall: 6794.58, 0.0029869/step, 2.27851 hours remaining, 209.457031 MB of memory in use. ENERGY: 2253800 790.9936 2094.4902 1932.5833 113.4409 -206092.4929 17774.9755 0.0000 0.0000 34411.9518 -148974.0576 300.5281 -183386.0094 -148878.5944 300.0661 -42.5527 -10.5970 557274.9789 -2.5283 -2.5964 PRESSURE: 2254000 273.494 44.3792 10.8635 44.3802 -129.132 188.794 10.8653 188.794 142.047 GPRESSURE: 2254000 312.979 20.054 13.681 159.872 -105.12 186.575 85.6452 197.049 159.207 PRESSAVG: 2254000 23.6387 5.62342 16.8279 5.62347 -4.60259 -14.9704 16.8279 -14.9704 18.7208 GPRESSAVG: 2254000 21.7134 5.4898 15.709 5.17541 -2.50613 -15.565 17.6271 -15.2661 18.1879 TIMING: 2254000 CPU: 6795.18, 0.00302004/step Wall: 6795.18, 0.00302004/step, 2.30362 hours remaining, 209.457031 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: 2254000 729.7723 2104.0496 1921.9888 111.0468 -206488.4621 17973.1412 0.0000 0.0000 34447.7294 -149200.7341 300.8406 -183648.4635 -149106.4192 299.8527 95.4697 122.3553 555773.8178 12.5857 12.4650 PRESSURE: 2254200 151.296 -184.113 138.313 -184.113 -156.363 -103.161 138.312 -103.16 -119.71 GPRESSURE: 2254200 155.779 -244.116 150.804 -175.189 -119.811 -127.398 75.7307 -109.095 -59.5599 PRESSAVG: 2254200 8.71886 -23.632 -43.1471 -23.632 6.81334 -17.7779 -43.1471 -17.7779 19.844 GPRESSAVG: 2254200 10.1014 -24.7159 -43.2552 -22.9854 5.76923 -21.4525 -43.5668 -14.9769 18.7989 TIMING: 2254200 CPU: 6795.79, 0.00301746/step Wall: 6795.79, 0.00301746/step, 2.30148 hours remaining, 209.457031 MB of memory in use. ENERGY: 2254200 756.9671 2125.2465 1918.3992 138.0936 -206604.3778 17925.5360 0.0000 0.0000 34437.0000 -149303.1354 300.7469 -183740.1354 -149199.5201 300.1155 -41.5925 -7.8641 557080.5533 11.7921 11.5565 PRESSURE: 2254400 -285.95 205.277 -11.8532 205.277 43.2723 100.284 -11.8531 100.283 -24.9275 GPRESSURE: 2254400 -196.79 142.195 -23.0599 259.343 42.8512 68.8759 -13.6545 75.0419 -10.4274 PRESSAVG: 2254400 28.806 -0.822482 -6.60455 -0.822526 29.6232 4.02754 -6.60468 4.02759 -62.3622 GPRESSAVG: 2254400 28.5722 1.26155 -5.99798 -2.15714 30.0878 6.34101 -6.84305 1.24725 -61.5965 TIMING: 2254400 CPU: 6796.39, 0.00299692/step Wall: 6796.39, 0.00299692/step, 2.28565 hours remaining, 209.457031 MB of memory in use. ENERGY: 2254400 715.4976 2171.1276 1940.0995 121.6217 -206541.1982 17912.0589 0.0000 0.0000 34162.5026 -149518.2902 298.3496 -183680.7928 -149419.9013 299.1455 -89.2019 -54.7887 557865.9111 -1.3110 -0.9788 PRESSURE: 2254600 -11.6288 -53.9064 -16.3278 -53.907 11.22 -97.8735 -16.3274 -97.8728 -128.348 GPRESSURE: 2254600 87.3642 -78.3197 -12.1358 -48.9669 -66.4954 -122.264 -6.37995 -46.3684 -50.0861 PRESSAVG: 2254600 55.8365 -0.995018 23.2199 -0.995011 12.0537 -36.3819 23.22 -36.3819 -55.7629 GPRESSAVG: 2254600 56.8397 -0.53855 24.2913 0.228822 11.5188 -36.4307 21.2036 -35.5915 -56.5665 TIMING: 2254600 CPU: 6796.98, 0.00298517/step Wall: 6796.98, 0.00298517/step, 2.27652 hours remaining, 209.457031 MB of memory in use. ENERGY: 2254600 732.6309 2097.5565 1928.1428 127.2728 -206012.2134 17785.0198 0.0000 0.0000 33905.1790 -149436.4116 296.1024 -183341.5906 -149344.2018 299.2976 -42.9188 -9.7391 557894.6191 4.0424 3.9307 PRESSURE: 2254800 -44.9482 -3.40123 8.78373 -3.40071 -149.714 291.808 8.78384 291.809 -71.2951 GPRESSURE: 2254800 -19.1718 -13.8627 -10.8346 28.5596 -97.6845 230.872 14.1617 294.407 -51.9927 PRESSAVG: 2254800 9.50313 -46.4686 -91.0912 -46.4686 -13.8555 20.1832 -91.0912 20.1831 -14.6567 GPRESSAVG: 2254800 8.14264 -45.5043 -91.3953 -48.1442 -12.4004 19.6678 -89.5245 20.678 -14.3244 TIMING: 2254800 CPU: 6797.58, 0.00299552/step Wall: 6797.58, 0.00299552/step, 2.28425 hours remaining, 209.457031 MB of memory in use. ENERGY: 2254800 793.6226 2139.8981 1898.1627 121.8507 -206149.4741 17585.6758 0.0000 0.0000 34401.6882 -149208.5760 300.4385 -183610.2642 -149120.3244 298.9509 -88.6523 -56.2830 557667.5057 -6.3364 -6.1940 PRESSURE: 2255000 31.055 149.609 108.631 149.611 -103.34 20.6093 108.63 20.6101 -146.046 GPRESSURE: 2255000 21.6092 86.9579 8.76384 108.783 -54.2465 -0.446645 119.764 7.17751 -89.6308 PRESSAVG: 2255000 7.46161 -21.7081 -33.4989 -21.7082 -4.17305 29.1586 -33.4989 29.1586 -30.3773 GPRESSAVG: 2255000 7.10189 -23.0104 -33.8126 -21.1739 -4.59782 29.6614 -33.5013 29.5973 -29.0587 TIMING: 2255000 CPU: 6798.18, 0.00298651/step Wall: 6798.18, 0.00298651/step, 2.27721 hours remaining, 209.457031 MB of memory in use. ENERGY: 2255000 774.2171 2063.8968 1958.6049 122.6081 -206259.0603 17820.6090 0.0000 0.0000 34250.4676 -149268.6569 299.1179 -183519.1244 -149176.2650 299.5012 -72.7772 -40.7560 558091.9285 -9.0296 -8.8515 PRESSURE: 2255200 190.125 -59.0577 -145.513 -59.0572 202.001 58.4568 -145.514 58.4581 92.1198 GPRESSURE: 2255200 222.879 -76.2191 -97.9199 -70.5181 218.792 -34.4458 -103.17 168.554 129.053 PRESSAVG: 2255200 12.5126 -25.5565 -26.5562 -25.5565 34.8649 -28.0956 -26.5561 -28.0956 -28.0427 GPRESSAVG: 2255200 13.1189 -25.9022 -26.5741 -23.5815 34.9846 -29.1093 -27.2324 -29.4626 -29.0779 TIMING: 2255200 CPU: 6798.79, 0.00302208/step Wall: 6798.79, 0.00302208/step, 2.30417 hours remaining, 209.457031 MB of memory in use. ENERGY: 2255200 742.7702 2129.2495 1924.8415 109.2566 -206647.1993 18224.7860 0.0000 0.0000 34326.6108 -149189.6846 299.7828 -183516.2954 -149092.6756 299.2682 161.4152 190.2415 557581.7339 6.4449 6.3419 PRESSURE: 2255400 -103.192 -62.5147 23.5506 -62.5147 -75.7486 138.122 23.5496 138.121 -120.069 GPRESSURE: 2255400 -76.2665 -108.789 7.32203 34.8139 -56.7186 80.2697 86.4032 192.737 -55.8178 PRESSAVG: 2255400 19.7618 -14.4328 16.7434 -14.4328 -43.1715 22.2721 16.7433 22.2721 -27.8058 GPRESSAVG: 2255400 19.731 -15.3567 17.0082 -15.1709 -42.9769 24.7125 18.5222 23.8909 -27.5686 TIMING: 2255400 CPU: 6799.38, 0.0029799/step Wall: 6799.38, 0.0029799/step, 2.27184 hours remaining, 209.457031 MB of memory in use. ENERGY: 2255400 779.7346 2105.8122 1937.4187 126.6506 -205935.3979 17572.8247 0.0000 0.0000 34371.5200 -149041.4370 300.1750 -183412.9571 -148939.8177 299.8909 -99.6697 -62.9343 557330.4327 -17.0718 -16.9381 PRESSURE: 2255600 -332.227 118.294 227.503 118.296 -514.493 4.86183 227.503 4.86025 -249.877 GPRESSURE: 2255600 -311.051 149.814 144.337 138.203 -490.101 -5.78177 286.077 -54.0977 -201.177 PRESSAVG: 2255600 -46.985 15.2795 15.2219 15.2795 44.0443 54.571 15.2219 54.571 32.8478 GPRESSAVG: 2255600 -46.5086 17.9715 15.3447 12.9118 43.37 54.2339 15.4676 53.8412 32.5649 TIMING: 2255600 CPU: 6799.98, 0.00299483/step Wall: 6799.98, 0.00299483/step, 2.28306 hours remaining, 209.457031 MB of memory in use. ENERGY: 2255600 786.4248 2044.4660 1954.5545 126.1328 -205783.1904 17520.4067 0.0000 0.0000 34395.8798 -148955.3258 300.3878 -183351.2056 -148861.5819 300.2637 -365.5323 -334.1097 558237.7980 9.9690 9.8088 PRESSURE: 2255800 -80.6447 -78.62 34.0679 -78.621 70.2765 55.0009 34.0682 55.0015 -86.694 GPRESSURE: 2255800 -75.3403 -44.1455 86.9568 -120.175 148.619 118.598 117.697 61.9877 -73.2613 PRESSAVG: 2255800 34.6451 32.5788 54.6896 32.5788 -18.8068 -6.18862 54.6896 -6.1887 45.1777 GPRESSAVG: 2255800 33.1099 31.2943 53.5856 34.44 -17.8282 -7.21175 53.0723 -7.8058 46.1808 TIMING: 2255800 CPU: 6800.58, 0.00300962/step Wall: 6800.58, 0.00300962/step, 2.29417 hours remaining, 209.457031 MB of memory in use. ENERGY: 2255800 783.8599 2119.5170 1902.1647 111.6962 -206196.7869 17923.6480 0.0000 0.0000 34319.9751 -149035.9260 299.7249 -183355.9010 -148933.0902 300.3499 -32.3540 0.0059 557230.7365 20.3387 20.4875 PRESSURE: 2256000 -28.7823 -83.5051 24.3182 -83.5052 -99.8443 86.9492 24.3175 86.9492 -32.9873 GPRESSURE: 2256000 6.89174 -107.446 52.3915 20.3803 -55.8461 107.504 -39.1484 31.3574 -9.29494 PRESSAVG: 2256000 -34.3572 -9.94152 53.8559 -9.94148 12.5744 24.2391 53.8559 24.2391 44.4232 GPRESSAVG: 2256000 -32.6295 -10.8908 55.8611 -8.3005 12.5509 23.1102 54.2172 27.0133 42.6292 TIMING: 2256000 CPU: 6801.18, 0.00300301/step Wall: 6801.18, 0.00300301/step, 2.28896 hours remaining, 209.457031 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: 2256000 727.4585 2066.9672 1928.4939 114.6988 -206073.7851 17769.6216 0.0000 0.0000 34442.5557 -149023.9893 300.7954 -183466.5450 -148928.6334 299.8381 -53.8713 -19.4164 558849.0618 7.5468 7.5169 PRESSURE: 2256200 28.0329 44.2296 -124.879 44.228 194.221 -36.9245 -124.879 -36.925 56.3718 GPRESSURE: 2256200 74.5041 17.8568 -100.688 -3.63667 179.744 -22.0104 -148.833 -70.9919 111.743 PRESSAVG: 2256200 -24.7786 23.6722 2.54519 23.6722 -23.4482 43.4954 2.54514 43.4954 53.9382 GPRESSAVG: 2256200 -25.055 23.7595 1.59986 23.3098 -24.1981 45.1076 3.15846 42.5743 54.7022 TIMING: 2256200 CPU: 6801.78, 0.00299327/step Wall: 6801.78, 0.00299327/step, 2.28137 hours remaining, 209.457031 MB of memory in use. ENERGY: 2256200 755.0814 2141.9013 1927.0305 102.3845 -206606.0575 18076.1092 0.0000 0.0000 34600.6038 -149002.9468 302.1757 -183603.5505 -148906.4837 300.5095 92.8752 121.9974 557941.7506 1.9038 1.8164 LDB: ============= START OF LOAD BALANCING ============== 6805.3 LDB: ============== END OF LOAD BALANCING =============== 6805.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6805.3 LDB: ============= START OF LOAD BALANCING ============== 6805.6 LDB: Largest compute 4772 load 0.032388 is 27.5% of average load 0.117967 LDB: Average compute 0.001727 is 1.5% of average load 0.117967 LDB: TIME 6805.6 LOAD: AVG 0.117967 MAX 0.204294 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.402 MB LDB: TIME 6805.6 LOAD: AVG 0.117967 MAX 0.204294 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.402 MB LDB: TIME 6805.6 LOAD: AVG 0.117967 MAX 0.204294 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.402 MB LDB: ============== END OF LOAD BALANCING =============== 6805.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6805.61 PRESSURE: 2256400 43.5583 9.70135 99.6414 9.70012 -40.8828 12.9242 99.6408 12.9251 -96.5603 GPRESSURE: 2256400 67.6233 39.2273 56.2874 -2.08472 -50.3279 19.7559 36.9439 -8.76239 -15.8515 PRESSAVG: 2256400 90.0869 5.09184 -13.8198 5.09195 -27.1569 43.7601 -13.8198 43.7601 -13.5183 GPRESSAVG: 2256400 90.6782 5.4935 -13.1945 4.73393 -27.6309 44.9629 -14.1526 40.1829 -13.6123 TIMING: 2256400 CPU: 6802.39, 0.00305394/step Wall: 6802.39, 0.00305394/step, 2.32744 hours remaining, 210.144531 MB of memory in use. ENERGY: 2256400 752.7332 2124.4737 1931.1569 122.6498 -205959.4288 17594.9876 0.0000 0.0000 34396.1547 -149037.2729 300.3902 -183433.4276 -148941.9369 299.9852 -31.2949 0.4813 557129.7243 16.4706 16.4784 PRESSURE: 2256600 -18.1167 22.1341 47.0813 22.1325 95.133 -6.13407 47.0811 -6.13277 -36.4043 GPRESSURE: 2256600 41.5901 -14.5367 49.0335 7.55842 132.727 9.34657 43.4275 -29.9314 -34.3393 PRESSAVG: 2256600 -26.0348 6.35511 -29.1063 6.35517 -3.53778 -43.1302 -29.1063 -43.1303 16.0974 GPRESSAVG: 2256600 -25.8073 5.52559 -29.5028 6.3133 -3.6428 -43.4056 -29.2692 -41.2714 15.6164 TIMING: 2256600 CPU: 6802.99, 0.00299926/step Wall: 6802.99, 0.00299926/step, 2.2856 hours remaining, 210.347656 MB of memory in use. ENERGY: 2256600 740.8527 2129.0728 1919.6482 130.0104 -205955.0085 17841.6860 0.0000 0.0000 34173.2608 -149020.4775 298.4436 -183193.7384 -148916.8723 299.4900 13.5373 46.6592 558842.6511 -4.4917 -4.6112 PRESSURE: 2256800 215.697 -15.4354 60.2368 -15.4367 -19.3145 -148.026 60.2355 -148.024 180.866 GPRESSURE: 2256800 216.533 -1.46527 11.6028 -10.3699 2.0295 -118.607 75.4679 -119.384 256.438 PRESSAVG: 2256800 -27.6187 15.7744 18.219 15.7745 -17.5206 27.726 18.219 27.7261 3.43753 GPRESSAVG: 2256800 -27.2243 17.3465 19.359 15.3057 -17.9103 27.4989 15.8681 28.4445 3.3185 TIMING: 2256800 CPU: 6803.59, 0.00299845/step Wall: 6803.59, 0.00299845/step, 2.28482 hours remaining, 210.347656 MB of memory in use. ENERGY: 2256800 720.5669 2146.6365 1930.7945 115.8767 -206529.6996 18125.9586 0.0000 0.0000 34189.4135 -149300.4528 298.5847 -183489.8663 -149204.1446 299.1599 125.7495 158.3335 557489.1528 -13.9006 -13.9387 PRESSURE: 2257000 -107.541 -24.0316 17.5207 -24.0318 -118.649 -83.5137 17.5209 -83.5124 169.684 GPRESSURE: 2257000 -67.3878 -60.2134 -65.6379 27.0717 -109.59 -81.4882 23.5171 -20.9907 218.586 PRESSAVG: 2257000 -13.8729 2.34234 31.9372 2.34236 22.8179 -70.1455 31.9371 -70.1455 -0.894291 GPRESSAVG: 2257000 -13.4031 1.80746 33.5069 2.97438 22.8163 -70.0725 32.3818 -69.4328 -1.17749 TIMING: 2257000 CPU: 6804.19, 0.00299946/step Wall: 6804.19, 0.00299946/step, 2.28542 hours remaining, 210.347656 MB of memory in use. ENERGY: 2257000 723.2343 2160.2911 1932.9698 112.1175 -206212.5292 17820.7440 0.0000 0.0000 34209.8992 -149253.2733 298.7636 -183463.1726 -149163.7991 298.6543 -18.8351 13.8694 558262.2680 2.6836 2.7452 PRESSURE: 2257200 376.337 -102.607 69.2703 -102.607 164.372 70.9631 69.2693 70.9645 267.656 GPRESSURE: 2257200 413.988 -136.838 45.4224 -23.157 242.648 135.49 74.131 47.6331 237.837 PRESSAVG: 2257200 -10.1736 51.5217 42.5676 51.5217 -50.2298 -11.8322 42.5676 -11.8322 89.0312 GPRESSAVG: 2257200 -13.2777 52.4709 40.5981 51.0715 -49.0448 -11.7953 43.3426 -13.3185 90.7685 TIMING: 2257200 CPU: 6804.79, 0.00299905/step Wall: 6804.79, 0.00299905/step, 2.28495 hours remaining, 210.347656 MB of memory in use. ENERGY: 2257200 741.0252 2120.8840 1932.5206 116.9992 -206539.2270 18221.9824 0.0000 0.0000 34133.4080 -149272.4077 298.0955 -183405.8157 -149189.3962 298.8180 269.4549 298.1575 556920.7005 9.5426 9.4820 PRESSURE: 2257400 210.647 135.83 127.334 135.83 134.572 -123.34 127.334 -123.339 -42.9819 GPRESSURE: 2257400 232.27 143.34 65.6953 100.835 166.49 -112.902 207.207 -127.669 -4.69117 PRESSAVG: 2257400 -14.3442 47.4274 -9.8259 47.4274 -15.1546 -3.19875 -9.82592 -3.19872 -4.82225 GPRESSAVG: 2257400 -11.1813 49.1665 -10.3167 43.6198 -16.477 -3.61927 -8.15114 -2.86389 -6.33135 TIMING: 2257400 CPU: 6805.39, 0.00299286/step Wall: 6805.39, 0.00299286/step, 2.28006 hours remaining, 210.347656 MB of memory in use. ENERGY: 2257400 718.9994 2112.8521 1900.8087 111.8581 -206142.9073 17912.0855 0.0000 0.0000 34175.4844 -149210.8192 298.4630 -183386.3036 -149114.8861 298.8693 100.7458 131.3561 558365.7732 -11.4404 -11.3299 PRESSURE: 2257600 279.888 -69.9057 -141.746 -69.9048 -97.1004 -68.9911 -141.746 -68.9915 94.6301 GPRESSURE: 2257600 280.516 0.443354 -123.486 -106.304 -47.8061 -78.0468 -133.182 -45.7266 146.713 PRESSAVG: 2257600 36.2726 -33.9504 6.01636 -33.9503 -94.7566 35.7848 6.01639 35.7848 46.1866 GPRESSAVG: 2257600 34.4513 -36.5037 5.70644 -30.0961 -94.627 36.8034 4.96292 33.5712 48.2137 TIMING: 2257600 CPU: 6805.99, 0.00302271/step Wall: 6805.99, 0.00302271/step, 2.30263 hours remaining, 210.347656 MB of memory in use. ENERGY: 2257600 753.9055 2056.4229 1947.3815 114.2371 -205819.1985 17739.9555 0.0000 0.0000 34213.9751 -148993.3208 298.7992 -183207.2959 -148895.8447 299.2756 92.4724 126.4741 558164.2340 -4.0991 -3.9873 PRESSURE: 2257800 123.667 81.5563 70.7505 81.5558 24.4302 -15.3992 70.7509 -15.3977 -96.3541 GPRESSURE: 2257800 157.385 10.5749 51.4631 91.1439 17.4948 -26.4323 71.0587 23.0349 -32.9456 PRESSAVG: 2257800 68.0343 -14.2708 -35.6132 -14.2707 -68.2277 -18.7323 -35.6132 -18.7322 6.83002 GPRESSAVG: 2257800 69.5506 -11.5187 -34.0322 -15.2722 -68.3394 -19.1558 -36.2931 -17.1592 5.5572 TIMING: 2257800 CPU: 6806.6, 0.0030338/step Wall: 6806.6, 0.0030338/step, 2.31091 hours remaining, 210.347656 MB of memory in use. ENERGY: 2257800 726.6093 2088.5286 1941.1409 118.6109 -206056.0016 17764.7713 0.0000 0.0000 34278.9772 -149137.3634 299.3668 -183416.3406 -149032.7267 299.8628 17.2479 47.3115 559859.5437 2.2122 2.2562 PRESSURE: 2258000 88.2091 115.505 90.7641 115.503 -23.8018 -12.4534 90.7643 -12.4523 -139.616 GPRESSURE: 2258000 109.337 141.533 71.9364 89.993 81.2245 -79.9901 152.11 46.4112 -156.189 PRESSAVG: 2258000 -14.2818 -13.8056 10.4051 -13.8055 7.70606 -30.6511 10.4051 -30.6511 2.716 GPRESSAVG: 2258000 -14.7947 -13.9156 10.7536 -14.4715 8.24546 -31.2064 10.5914 -31.581 2.86696 TIMING: 2258000 CPU: 6807.2, 0.00300887/step Wall: 6807.2, 0.00300887/step, 2.29176 hours remaining, 210.347656 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: 2258000 734.0350 2090.3446 1924.5773 105.1027 -205996.4077 17737.8495 0.0000 0.0000 34218.8321 -149185.6664 298.8416 -183404.4985 -149091.0554 299.2613 -25.0697 11.4575 559456.5328 -1.2866 -1.2274 PRESSURE: 2258200 -42.1063 149.091 -32.2418 149.092 -55.799 99.5483 -32.2407 99.5475 -235.055 GPRESSURE: 2258200 -31.858 100.48 74.8336 146.414 -12.5774 76.3572 -46.1874 100.257 -203.19 PRESSAVG: 2258200 43.9303 8.62835 6.40104 8.6283 -14.1541 40.5099 6.401 40.5098 -24.8291 GPRESSAVG: 2258200 44.5858 7.10134 3.36195 8.92448 -14.9753 39.9113 8.23099 42.3428 -24.87 TIMING: 2258200 CPU: 6807.8, 0.00299607/step Wall: 6807.8, 0.00299607/step, 2.28184 hours remaining, 210.347656 MB of memory in use. ENERGY: 2258200 756.8864 2115.4995 1910.1909 121.8859 -206661.5002 18026.3815 0.0000 0.0000 34361.1079 -149369.5481 300.0841 -183730.6560 -149262.9928 299.4111 -110.9867 -82.5418 559647.6430 1.6490 1.5802 PRESSURE: 2258400 225.239 -114.241 250.575 -114.24 -83.774 138.35 250.575 138.35 269.85 GPRESSURE: 2258400 227.226 -137.095 226.078 -109.9 -42.0235 159.57 184.279 77.5026 319.626 PRESSAVG: 2258400 43.9058 13.2961 50.0328 13.2962 -53.5881 -1.99917 50.0329 -1.99919 35.3595 GPRESSAVG: 2258400 42.5951 13.7605 51.6622 14.7749 -53.564 0.564239 48.8315 -2.17919 37.0968 TIMING: 2258400 CPU: 6808.4, 0.00299191/step Wall: 6808.4, 0.00299191/step, 2.27851 hours remaining, 210.347656 MB of memory in use. ENERGY: 2258400 733.1712 2095.4312 1932.6795 105.1249 -206686.4963 18132.6503 0.0000 0.0000 34136.5338 -149550.9053 298.1228 -183687.4391 -149450.9716 298.4591 137.1048 168.2761 556682.2523 8.5591 8.7093 PRESSURE: 2258600 -45.3718 123.353 -118.426 123.354 68.9047 18.9521 -118.427 18.9502 -83.0528 GPRESSURE: 2258600 52.1043 64.1905 -157.934 140.28 60.3092 41.7248 -140.334 18.1877 -72.4997 PRESSAVG: 2258600 -4.52912 -26.9964 35.6745 -26.9963 -15.2648 34.9528 35.6746 34.9528 26.4532 GPRESSAVG: 2258600 -3.97745 -27.3081 35.1316 -26.9001 -15.4853 31.1637 37.3693 36.2948 26.4227 TIMING: 2258600 CPU: 6808.99, 0.00296477/step Wall: 6808.99, 0.00296477/step, 2.25767 hours remaining, 210.347656 MB of memory in use. ENERGY: 2258600 754.8336 2069.7498 1897.6215 111.4844 -206541.2512 17964.1157 0.0000 0.0000 34059.5309 -149683.9153 297.4504 -183743.4462 -149593.0458 297.5729 -19.8400 13.3046 556765.5900 2.2198 2.3200 PRESSURE: 2258800 223.734 -24.6145 27.4975 -24.615 108.421 66.1853 27.498 66.1849 -60.7463 GPRESSURE: 2258800 150.237 -6.74403 66.4433 -60.0886 184.167 30.0752 18.9027 92.978 27.5884 PRESSAVG: 2258800 -23.9617 -29.2283 -20.1208 -29.2284 18.1449 19.5442 -20.1209 19.5442 19.9873 GPRESSAVG: 2258800 -24.636 -30.9893 -21.6496 -31.4651 19.0805 21.4509 -20.7013 16.7879 20.2388 TIMING: 2258800 CPU: 6809.59, 0.00297386/step Wall: 6809.59, 0.00297386/step, 2.26443 hours remaining, 210.347656 MB of memory in use. ENERGY: 2258800 763.3954 2123.8127 1939.8795 111.4689 -206849.8691 18178.0794 0.0000 0.0000 34029.3956 -149703.8376 297.1872 -183733.2332 -149620.9098 298.2197 90.4696 120.6642 557252.8630 4.7235 4.8945 PRESSURE: 2259000 0.829474 -66.4031 -51.438 -66.402 84.972 -5.208 -51.4379 -5.20688 33.4095 GPRESSURE: 2259000 34.6302 -21.8837 -99.5842 -35.9713 105.687 13.4348 -140.689 -7.02172 76.1464 PRESSAVG: 2259000 86.256 -55.5722 -7.29447 -55.5723 -45.6647 42.4754 -7.29449 42.4754 -34.3662 GPRESSAVG: 2259000 87.2353 -56.0246 -6.31427 -51.5086 -46.2359 44.9717 -8.93227 42.0818 -34.6033 TIMING: 2259000 CPU: 6810.19, 0.00299967/step Wall: 6810.19, 0.00299967/step, 2.28392 hours remaining, 210.347656 MB of memory in use. ENERGY: 2259000 761.4019 2080.9209 1907.1064 112.4479 -206519.8097 18126.6534 0.0000 0.0000 33920.4351 -149610.8440 296.2356 -183531.2791 -149515.3298 297.9065 39.7370 72.1546 559666.5980 2.0750 2.1321 PRESSURE: 2259200 84.5973 -185.318 -32.3852 -185.318 71.4712 -149.914 -32.3849 -149.915 -83.2613 GPRESSURE: 2259200 113.841 -243.311 41.9326 -125.977 114.018 -117.109 -39.1468 -138.301 -52.2366 PRESSAVG: 2259200 -23.1542 -37.5781 11.0025 -37.5781 -53.5204 14.7949 11.0025 14.795 18.0534 GPRESSAVG: 2259200 -23.4501 -37.4069 9.97888 -40.0762 -53.0462 14.2928 12.7436 15.4202 17.4265 TIMING: 2259200 CPU: 6810.79, 0.00301278/step Wall: 6810.79, 0.00301278/step, 2.29373 hours remaining, 210.347656 MB of memory in use. ENERGY: 2259200 762.1322 2062.1446 1942.6400 111.9568 -206780.5846 18093.0199 0.0000 0.0000 34358.2291 -149450.4620 300.0590 -183808.6910 -149357.3441 298.0044 24.2691 58.5409 557985.9344 -19.5404 -19.6899 PRESSURE: 2259400 -188.554 165.376 -75.0087 165.375 -75.2234 -36.157 -75.0086 -36.1566 -45.6729 GPRESSURE: 2259400 -155.109 93.8483 -95.5276 148.656 -30.6713 -50.2897 -0.392074 -91.5975 -23.0194 PRESSAVG: 2259400 41.8049 -23.7917 -1.00838 -23.7917 29.7131 -36.4415 -1.00842 -36.4416 -48.93 GPRESSAVG: 2259400 42.5631 -22.2808 0.183534 -23.4282 28.8184 -37.3547 -1.65294 -37.2854 -48.6387 TIMING: 2259400 CPU: 6811.39, 0.0029955/step Wall: 6811.39, 0.0029955/step, 2.2804 hours remaining, 210.347656 MB of memory in use. ENERGY: 2259400 742.7006 2097.7083 1954.7313 105.8092 -206286.2947 17737.6790 0.0000 0.0000 34115.0353 -149532.6310 297.9351 -183647.6664 -149423.9767 298.6270 -103.1502 -69.5999 557489.8814 7.5293 7.5809 PRESSURE: 2259600 -75.1096 -44.0584 -88.8717 -44.0575 213.311 -89.1821 -88.8714 -89.1811 179.987 GPRESSURE: 2259600 -8.67103 -37.3536 -149.29 8.28777 229.233 -106.573 -67.0874 -227.113 208.436 PRESSAVG: 2259600 -32.322 47.66 4.27757 47.66 21.0572 -30.234 4.2776 -30.2339 9.84751 GPRESSAVG: 2259600 -32.2087 46.9859 1.90954 47.9891 22.1787 -28.5197 5.43725 -30.2887 9.14247 TIMING: 2259600 CPU: 6811.98, 0.0029738/step Wall: 6811.98, 0.0029738/step, 2.26372 hours remaining, 210.347656 MB of memory in use. ENERGY: 2259600 703.7642 2088.2106 1916.4864 118.0489 -206383.3458 17978.2346 0.0000 0.0000 34220.2805 -149358.3207 298.8542 -183578.6012 -149258.4758 298.5690 106.0628 142.9993 557761.4268 -0.4724 -0.2958 PRESSURE: 2259800 -265.771 20.0351 48.1764 20.0351 -115.169 -45.9392 48.1765 -45.9394 -123.766 GPRESSURE: 2259800 -320.996 -35.5756 96.4765 90.8387 -23.4305 -33.7076 -32.3135 -96.0495 -62.4597 PRESSAVG: 2259800 -24.4453 46.9283 28.1418 46.9283 -52.0559 -28.0548 28.1417 -28.0548 79.5837 GPRESSAVG: 2259800 -24.9004 46.7252 29.0923 46.1925 -51.1077 -28.4749 26.5115 -26.9532 79.4026 TIMING: 2259800 CPU: 6812.59, 0.00300696/step Wall: 6812.59, 0.00300696/step, 2.2888 hours remaining, 210.347656 MB of memory in use. ENERGY: 2259800 784.5290 2036.1035 1908.4860 106.7266 -205937.7909 17543.2196 0.0000 0.0000 34239.0837 -149319.6425 299.0184 -183558.7262 -149221.7249 299.1248 -168.2355 -135.6288 557422.9272 1.0275 1.1315 PRESSURE: 2260000 -207.788 72.1855 60.9453 72.1864 -206.76 197.175 60.9453 197.175 124.508 GPRESSURE: 2260000 -189.289 118.556 101.702 25.5547 -177.823 188.827 114.415 179.176 173.554 PRESSAVG: 2260000 -8.60303 -1.86821 -26.1084 -1.86823 5.67264 -4.02098 -26.1085 -4.02104 24.3514 GPRESSAVG: 2260000 -9.12382 -2.7902 -25.73 -2.92392 6.44193 -4.83437 -25.2754 -4.20608 24.6256 TIMING: 2260000 CPU: 6813.19, 0.00301931/step Wall: 6813.19, 0.00301931/step, 2.29803 hours remaining, 210.347656 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: 2260000 752.1275 2165.4940 1930.9826 124.1367 -206398.3857 17824.9950 0.0000 0.0000 34254.8970 -149345.7528 299.1565 -183600.6498 -149248.3613 299.1132 -96.6798 -64.5193 558250.9142 7.1403 7.3146 PRESSURE: 2260200 -341.085 -108.346 67.2108 -108.347 -91.8105 98.3194 67.2102 98.32 93.256 GPRESSURE: 2260200 -281.263 -87.3486 70.6649 -149.626 -63.464 125.734 70.8292 139.549 93.2656 PRESSAVG: 2260200 11.5621 -16.5535 -9.60932 -16.5536 -41.6263 -45.3603 -9.60937 -45.3603 34.6843 GPRESSAVG: 2260200 11.5184 -15.1654 -11.0946 -14.779 -42.1238 -44.9313 -10.0117 -43.5309 34.2964 TIMING: 2260200 CPU: 6813.79, 0.00299901/step Wall: 6813.79, 0.00299901/step, 2.28241 hours remaining, 210.347656 MB of memory in use. ENERGY: 2260200 775.3360 2096.5106 1941.4626 121.3266 -206423.2111 17959.1061 0.0000 0.0000 34242.8137 -149286.6554 299.0510 -183529.4691 -149197.3680 298.9016 -113.2133 -83.8205 557725.1499 1.5400 1.2303 LDB: ============= START OF LOAD BALANCING ============== 6817.31 LDB: ============== END OF LOAD BALANCING =============== 6817.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6817.31 LDB: ============= START OF LOAD BALANCING ============== 6817.61 LDB: Largest compute 4772 load 0.030564 is 25.9% of average load 0.117979 LDB: Average compute 0.001722 is 1.5% of average load 0.117979 LDB: TIME 6817.62 LOAD: AVG 0.117979 MAX 0.204924 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.555 MB LDB: TIME 6817.62 LOAD: AVG 0.117979 MAX 0.204924 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.758 MB LDB: TIME 6817.62 LOAD: AVG 0.117979 MAX 0.204924 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.758 MB LDB: ============== END OF LOAD BALANCING =============== 6817.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6817.62 PRESSURE: 2260400 -3.62761 -12.6825 39.2272 -12.6831 152.721 140.473 39.2266 140.473 360.578 GPRESSURE: 2260400 -9.42106 -21.9456 51.676 5.52899 230.14 182.603 49.7997 75.1588 381.411 PRESSAVG: 2260400 -1.38477 11.5508 -14.6443 11.5508 -53.7643 55.5697 -14.6443 55.5697 75.6407 GPRESSAVG: 2260400 -0.297579 11.0324 -12.5241 10.5542 -54.6286 56.6819 -13.8032 53.89 75.2601 TIMING: 2260400 CPU: 6814.41, 0.00307908/step Wall: 6814.41, 0.00307908/step, 2.34318 hours remaining, 210.597656 MB of memory in use. ENERGY: 2260400 709.8347 2137.0047 1945.0440 109.1357 -206437.6131 18042.2961 0.0000 0.0000 34363.5976 -149130.7002 300.1058 -183494.2978 -149038.8089 299.3540 169.8905 200.7102 556477.2839 6.8305 6.7780 PRESSURE: 2260600 -146.463 -13.205 10.1915 -13.2045 -343.268 -39.5434 10.1893 -39.5428 36.8513 GPRESSURE: 2260600 -131.792 2.95229 -69.0744 -40.52 -321.416 -39.5011 91.2748 -10.414 95.1173 PRESSAVG: 2260600 16.434 -43.0595 33.6798 -43.0595 -53.3381 16.6525 33.6799 16.6524 20.893 GPRESSAVG: 2260600 16.6946 -42.6247 34.0881 -40.8963 -53.9909 16.827 33.1766 17.8634 21.7184 TIMING: 2260600 CPU: 6815.01, 0.00299983/step Wall: 6815.01, 0.00299983/step, 2.2827 hours remaining, 210.800781 MB of memory in use. ENERGY: 2260600 733.7157 2090.4131 1941.1479 109.0774 -206021.7636 17559.1154 0.0000 0.0000 34220.2376 -149368.0563 298.8538 -183588.2939 -149269.4816 299.5072 -150.9600 -119.3635 558514.4343 -5.3371 -5.1926 PRESSURE: 2260800 -75.3882 -137.558 121.205 -137.558 521.761 202.123 121.205 202.123 253.4 GPRESSURE: 2260800 -62.9733 -86.3817 47.9817 -102.247 549.301 192.283 149.257 190.164 304.102 PRESSAVG: 2260800 -43.3796 -98.0267 40.261 -98.0266 15.7784 -60.6376 40.261 -60.6377 46.1552 GPRESSAVG: 2260800 -44.4504 -98.4146 36.9272 -99.192 16.4179 -61.6373 40.6956 -61.4891 46.3222 TIMING: 2260800 CPU: 6815.61, 0.00301779/step Wall: 6815.61, 0.00301779/step, 2.2962 hours remaining, 210.800781 MB of memory in use. ENERGY: 2260800 725.9986 2063.2867 1936.8779 108.5946 -206697.1516 18022.1309 0.0000 0.0000 34354.6066 -149485.6563 300.0273 -183840.2629 -149393.7435 299.0080 233.2578 263.4766 555375.8003 6.1847 6.0966 PRESSURE: 2261000 -80.3076 206.87 -19.1289 206.869 34.9527 17.1975 -19.1301 17.1961 -167.462 GPRESSURE: 2261000 -52.1567 62.9097 -58.8597 322.307 81.0515 58.8679 60.5895 42.4642 -142.233 PRESSAVG: 2261000 -50.7535 -39.2612 -10.8638 -39.2613 40.776 20.5474 -10.8639 20.5473 14.1142 GPRESSAVG: 2261000 -50.2962 -37.2818 -8.34675 -41.8784 40.4715 19.8983 -10.5248 19.9425 13.3734 TIMING: 2261000 CPU: 6816.22, 0.0030472/step Wall: 6816.22, 0.0030472/step, 2.31841 hours remaining, 210.800781 MB of memory in use. ENERGY: 2261000 752.1507 2105.2547 1947.6232 118.9733 -206404.3658 17900.4857 0.0000 0.0000 34176.1228 -149403.7554 298.4686 -183579.8782 -149303.3172 298.6388 -70.9390 -37.7795 557362.7688 1.3789 1.1829 PRESSURE: 2261200 -373.844 97.2354 9.34718 97.2344 -206.695 -47.0828 9.34661 -47.0839 -4.82247 GPRESSURE: 2261200 -346.885 57.0452 -73.0378 13.3008 -134.533 -102.629 35.3461 -94.7736 -6.60346 PRESSAVG: 2261200 -71.3272 -5.00033 -46.5588 -5.00028 20.4567 -11.1452 -46.5587 -11.1452 60.153 GPRESSAVG: 2261200 -71.2375 -7.87942 -46.5491 -3.63315 20.6062 -11.3237 -46.3032 -11.503 59.5863 TIMING: 2261200 CPU: 6816.83, 0.00304175/step Wall: 6816.83, 0.00304175/step, 2.31409 hours remaining, 210.800781 MB of memory in use. ENERGY: 2261200 763.6852 2078.8894 1933.4884 115.0449 -206032.9139 17465.1329 0.0000 0.0000 34416.4331 -149260.2400 300.5673 -183676.6730 -149166.5291 298.5922 -195.1206 -162.6738 557481.3711 3.0941 2.9850 PRESSURE: 2261400 4.58589 -100.921 -1.69521 -100.92 -353.73 -10.2564 -1.69424 -10.2565 -71.7862 GPRESSURE: 2261400 8.50218 -53.6418 -61.2867 -40.2122 -282.966 52.1173 48.6591 -25.5541 -39.6223 PRESSAVG: 2261400 -34.9755 -32.7644 -6.13808 -32.7643 26.6277 -68.3583 -6.13808 -68.3584 26.3203 GPRESSAVG: 2261400 -35.0004 -31.3318 -6.0606 -30.6484 26.5312 -67.1138 -7.02542 -66.3493 27.0335 TIMING: 2261400 CPU: 6817.43, 0.0030228/step Wall: 6817.43, 0.0030228/step, 2.29951 hours remaining, 210.800781 MB of memory in use. ENERGY: 2261400 766.0906 2037.1480 1907.8691 106.3395 -205793.9609 17426.2136 0.0000 0.0000 34503.6989 -149046.6013 301.3294 -183550.3002 -148947.8147 299.9229 -140.3103 -104.6952 557913.7497 5.9908 6.1881 PRESSURE: 2261600 -157.076 86.4768 105.183 86.478 -184.617 236.898 105.184 236.899 -102.982 GPRESSURE: 2261600 -178.626 151.7 73.0098 43.5619 -91.6786 260.865 87.2216 210.244 -81.4319 PRESSAVG: 2261600 -37.9045 0.187188 12.2322 0.187162 -10.8297 0.900666 12.2321 0.900698 30.9545 GPRESSAVG: 2261600 -36.632 1.43949 11.0722 -2.89807 -10.9742 1.187 12.4994 -1.1206 29.3207 TIMING: 2261600 CPU: 6818.03, 0.00298973/step Wall: 6818.03, 0.00298973/step, 2.27419 hours remaining, 210.800781 MB of memory in use. ENERGY: 2261600 765.3006 2074.9650 1951.4395 109.2741 -206041.4178 17666.4429 0.0000 0.0000 34554.1600 -148919.8357 301.7701 -183473.9957 -148826.5874 300.3846 -148.2251 -117.2455 558172.1960 -5.9266 -6.0952 PRESSURE: 2261800 -132.062 -40.1088 114.715 -40.1081 -201.258 -0.305059 114.717 -0.302389 -291.144 GPRESSURE: 2261800 -92.657 47.3172 170.272 -106.658 -191.138 -41.5523 106.309 -8.55557 -236.97 PRESSAVG: 2261800 27.6546 33.101 30.9654 33.101 -4.42529 43.895 30.9655 43.8951 -30.8915 GPRESSAVG: 2261800 26.7705 30.9589 30.7966 35.6569 -4.85173 44.8445 29.9674 43.9721 -29.5353 TIMING: 2261800 CPU: 6818.63, 0.00297941/step Wall: 6818.63, 0.00297941/step, 2.26617 hours remaining, 210.800781 MB of memory in use. ENERGY: 2261800 775.1109 2080.4382 1902.7320 117.3781 -205475.7182 17342.0308 0.0000 0.0000 34449.5465 -148808.4817 300.8565 -183258.0282 -148713.4525 300.5579 -208.1546 -173.5882 557573.0900 -2.5540 -2.5388 PRESSURE: 2262000 -133.843 -46.9876 113.065 -46.9887 -394.315 2.3976 113.066 2.39773 -327.162 GPRESSURE: 2262000 -90.3959 2.46472 98.8974 -25.2506 -382.753 28.9056 123.147 -61.2153 -269.019 PRESSAVG: 2262000 67.3252 26.6576 34.6342 26.6575 5.96521 17.4365 34.6342 17.4365 -52.9007 GPRESSAVG: 2262000 66.9133 26.6393 36.2874 26.0959 7.33147 15.3612 35.7859 19.1973 -53.1414 TIMING: 2262000 CPU: 6819.23, 0.00302238/step Wall: 6819.23, 0.00302238/step, 2.29868 hours remaining, 210.800781 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: 2262000 719.0183 2155.6841 1901.8988 109.0137 -205500.0814 17231.2970 0.0000 0.0000 34499.3832 -148883.7862 301.2917 -183383.1694 -148789.6705 301.2962 -285.1066 -247.3893 557854.7919 6.7966 7.0344 PRESSURE: 2262200 214.951 151.854 -20.6009 151.854 240.289 1.02209 -20.6013 1.02083 -103.707 GPRESSURE: 2262200 243.383 238.777 39.7842 105.455 280.544 51.5312 92.9552 -1.99901 -83.121 PRESSAVG: 2262200 20.1498 41.0804 -0.51226 41.0804 -3.56279 -36.5205 -0.512289 -36.5205 -6.01978 GPRESSAVG: 2262200 19.4061 40.7814 0.843267 42.2729 -5.34224 -35.8088 -2.88887 -37.9984 -4.04266 TIMING: 2262200 CPU: 6819.83, 0.00300132/step Wall: 6819.83, 0.00300132/step, 2.28251 hours remaining, 210.800781 MB of memory in use. ENERGY: 2262200 719.6821 2139.6917 1937.7196 113.7956 -206304.6441 17914.4690 0.0000 0.0000 34423.0823 -149056.2038 300.6253 -183479.2861 -148964.5459 300.8943 117.1776 146.9354 555590.2461 3.5224 3.3404 PRESSURE: 2262400 -13.1071 -25.9226 43.7979 -25.9218 -85.2625 -6.24861 43.7981 -6.24843 -277.355 GPRESSURE: 2262400 68.5543 -108.366 19.9135 52.4976 -46.444 6.38708 11.4645 64.8136 -294.078 PRESSAVG: 2262400 53.2021 37.6642 46.1424 37.6642 -0.925652 -9.36877 46.1422 -9.36882 -85.0755 GPRESSAVG: 2262400 53.5169 37.9542 45.0456 36.1469 -1.43473 -10.2788 47.3037 -9.08998 -84.4138 TIMING: 2262400 CPU: 6820.43, 0.00301407/step Wall: 6820.43, 0.00301407/step, 2.29203 hours remaining, 210.800781 MB of memory in use. ENERGY: 2262400 769.2365 2115.3075 1909.1384 118.2207 -205908.2974 17722.6227 0.0000 0.0000 34350.6453 -148923.1263 299.9927 -183273.7716 -148831.7830 299.5674 -125.2415 -90.6559 558336.9716 -10.9330 -10.7772 PRESSURE: 2262600 -140.607 114.759 80.5183 114.76 -132.001 111.396 80.5182 111.396 -38.0047 GPRESSURE: 2262600 -127.643 90.6202 22.5362 122.959 -76.2994 51.6654 110.972 137.428 -2.3648 PRESSAVG: 2262600 20.5383 30.1976 42.247 30.1976 -49.2891 16.1629 42.247 16.163 7.4583 GPRESSAVG: 2262600 20.847 29.2428 43.9188 31.58 -49.4031 17.194 41.9093 17.2497 7.22442 TIMING: 2262600 CPU: 6821.03, 0.00299469/step Wall: 6821.03, 0.00299469/step, 2.27713 hours remaining, 210.800781 MB of memory in use. ENERGY: 2262600 713.8350 2102.2003 1931.1691 103.2340 -206039.0705 17647.4281 0.0000 0.0000 34458.5647 -149082.6392 300.9352 -183541.2039 -148987.1727 299.8609 -103.5376 -68.7690 557296.0169 -7.0975 -7.1106 PRESSURE: 2262800 -153.574 101.241 -8.66647 101.24 44.3624 81.638 -8.66738 81.6374 -136.744 GPRESSURE: 2262800 -101.205 113.56 -9.84074 103.805 104.55 5.13481 -73.6976 202.806 -163.974 PRESSAVG: 2262800 1.13218 -17.3658 25.2931 -17.3658 -15.5872 -24.2098 25.293 -24.2097 -32.5767 GPRESSAVG: 2262800 1.03329 -18.8137 22.8538 -16.9916 -14.7609 -25.5112 25.1642 -23.9681 -33.4355 TIMING: 2262800 CPU: 6821.64, 0.00302232/step Wall: 6821.64, 0.00302232/step, 2.29797 hours remaining, 210.800781 MB of memory in use. ENERGY: 2262800 777.6827 2055.7099 1952.1062 107.2354 -206130.1749 17725.0161 0.0000 0.0000 34427.9047 -149084.5201 300.6675 -183512.4247 -148993.3876 299.0941 -81.9852 -53.5429 558313.0637 -15.6773 -15.7210 PRESSURE: 2263000 -64.2082 85.9684 124.514 85.9687 -17.8265 110.947 124.515 110.947 -218.396 GPRESSURE: 2263000 -17.5073 46.9511 156.264 -25.7295 17.212 99.0546 58.1411 118.38 -199.085 PRESSAVG: 2263000 75.1202 7.18555 40.714 7.18559 -53.5572 90.2553 40.7139 90.2552 -10.0962 GPRESSAVG: 2263000 74.7778 10.196 39.3234 5.78347 -53.3273 91.9899 43.0667 87.584 -10.3172 TIMING: 2263000 CPU: 6822.24, 0.00301225/step Wall: 6822.24, 0.00301225/step, 2.29015 hours remaining, 210.800781 MB of memory in use. ENERGY: 2263000 700.0586 2109.2542 1949.5273 125.6232 -206011.9740 17634.4157 0.0000 0.0000 34398.5894 -149094.5055 300.4114 -183493.0949 -148999.4779 299.6301 -100.1434 -66.4602 558332.7573 3.8223 3.7111 PRESSURE: 2263200 -204.143 -132.963 81.4252 -132.963 -377.837 -50.2256 81.4251 -50.2283 -312.25 GPRESSURE: 2263200 -189.184 -113.842 31.6933 -155.794 -321.006 -19.7377 146.725 -0.42938 -276.564 PRESSAVG: 2263200 -48.3271 14.5499 55.0272 14.5498 47.9745 27.208 55.0273 27.208 11.8487 GPRESSAVG: 2263200 -47.7999 12.5946 55.1225 13.6894 47.451 25.921 54.477 29.3095 11.6197 TIMING: 2263200 CPU: 6822.84, 0.00299857/step Wall: 6822.84, 0.00299857/step, 2.27958 hours remaining, 211.003906 MB of memory in use. ENERGY: 2263200 749.1545 2081.3756 1931.1012 112.6352 -205427.5833 17316.0461 0.0000 0.0000 34178.9804 -149058.2905 298.4935 -183237.2709 -148969.6612 299.3816 -298.0765 -262.2513 559193.7958 3.8321 3.7569 PRESSURE: 2263400 -212.812 -43.9631 -133.22 -43.9618 126.894 149.837 -133.219 149.836 38.2867 GPRESSURE: 2263400 -190.473 1.74482 -141.951 -20.3121 143.505 135.973 -185.805 231.562 94.9339 PRESSAVG: 2263400 -24.5149 -31.0088 43.2041 -31.0087 -24.3508 -17.743 43.2041 -17.7432 6.96439 GPRESSAVG: 2263400 -24.8966 -29.46 43.4471 -30.1174 -24.56 -15.8417 41.7036 -18.5556 7.35735 TIMING: 2263400 CPU: 6823.44, 0.00301239/step Wall: 6823.44, 0.00301239/step, 2.28992 hours remaining, 211.003906 MB of memory in use. ENERGY: 2263400 760.5550 2038.1881 1979.5432 123.3059 -206028.9465 17674.6304 0.0000 0.0000 34132.0107 -149320.7132 298.0833 -183452.7239 -149226.3587 298.8225 -15.8773 15.9886 557409.3066 -13.9671 -14.0331 PRESSURE: 2263600 -345.93 -103.072 20.6221 -103.072 -56.3859 -54.7661 20.6225 -54.7646 -149.15 GPRESSURE: 2263600 -299.032 -143.275 6.90887 -123.896 -25.4345 13.7093 0.16721 -19.4516 -132.895 PRESSAVG: 2263600 -67.5207 -24.7095 -9.21627 -24.7094 -42.3325 -25.5278 -9.21628 -25.5277 66.5907 GPRESSAVG: 2263600 -68.399 -25.734 -7.1248 -24.0095 -41.9376 -27.7793 -9.54547 -23.3323 67.1422 TIMING: 2263600 CPU: 6824.04, 0.00300488/step Wall: 6824.04, 0.00300488/step, 2.28404 hours remaining, 211.003906 MB of memory in use. ENERGY: 2263600 789.4699 2100.5033 1940.6569 115.0395 -206314.6431 17785.5365 0.0000 0.0000 34119.1206 -149464.3164 297.9708 -183583.4370 -149373.5131 298.6011 -183.8220 -152.4537 558229.2603 -14.4208 -14.3981 PRESSURE: 2263800 157.128 -110.16 75.5896 -110.159 131.633 -37.6328 75.5901 -37.6319 199.073 GPRESSURE: 2263800 152.421 -126.894 62.758 -157.25 162.399 -2.87349 122.974 -34.8017 269.389 PRESSAVG: 2263800 52.8269 32.9959 17.8696 32.9959 -44.2101 -72.8599 17.8696 -72.86 -17.1319 GPRESSAVG: 2263800 53.3611 32.251 16.1835 32.328 -44.5913 -71.3022 19.5774 -75.346 -17.8821 TIMING: 2263800 CPU: 6824.64, 0.0029911/step Wall: 6824.64, 0.0029911/step, 2.2734 hours remaining, 211.003906 MB of memory in use. ENERGY: 2263800 711.5295 2135.3927 1931.0043 126.4469 -206542.0133 17993.1710 0.0000 0.0000 34157.7359 -149486.7330 298.3080 -183644.4689 -149390.8399 299.1904 162.6113 194.7365 556036.2265 -2.8384 -3.0374 PRESSURE: 2264000 54.0378 4.39996 -51.3915 4.39772 178.954 -31.1177 -51.3907 -31.1178 -254.646 GPRESSURE: 2264000 89.0496 18.1596 -54.0824 -35.6627 215.621 -48.54 -13.4674 21.8148 -232.702 PRESSAVG: 2264000 27.7727 51.2919 7.59307 51.2919 16.8753 9.35497 7.59309 9.35494 20.7976 GPRESSAVG: 2264000 28.0021 51.0604 11.0036 51.2683 17.0242 10.3628 5.15905 11.2843 19.8667 TIMING: 2264000 CPU: 6825.24, 0.00299936/step Wall: 6825.24, 0.00299936/step, 2.27951 hours remaining, 211.003906 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: 2264000 724.5995 2139.9030 1923.2040 124.7524 -206281.2135 17729.1244 0.0000 0.0000 34360.0291 -149279.6011 300.0747 -183639.6302 -149183.4479 298.7218 -7.2179 23.9897 555888.9475 21.8152 21.6310 PRESSURE: 2264200 22.7236 0.65611 217.896 0.656501 -210.506 8.59041 217.896 8.59206 -125.096 GPRESSURE: 2264200 97.2424 70.5967 220.828 30.1568 -171.993 -13.1776 176.72 22.7042 -140.312 PRESSAVG: 2264200 -1.78614 50.7589 36.1835 50.759 66.3466 19.2865 36.1835 19.2867 -16.2727 GPRESSAVG: 2264200 -2.04078 52.7682 33.2276 50.586 65.7762 18.3711 37.2181 17.2105 -15.361 TIMING: 2264200 CPU: 6825.84, 0.00298375/step Wall: 6825.84, 0.00298375/step, 2.26748 hours remaining, 211.207031 MB of memory in use. ENERGY: 2264200 776.0032 2108.3434 1943.4612 121.7112 -206125.0739 17730.3039 0.0000 0.0000 34189.0801 -149256.1709 298.5817 -183445.2511 -149156.6535 299.2112 -104.2927 -71.6876 558033.4844 16.0959 16.1248 LDB: ============= START OF LOAD BALANCING ============== 6829.35 LDB: ============== END OF LOAD BALANCING =============== 6829.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6829.35 LDB: ============= START OF LOAD BALANCING ============== 6829.65 LDB: Largest compute 4772 load 0.031873 is 27.0% of average load 0.118005 LDB: Average compute 0.001719 is 1.5% of average load 0.118005 LDB: TIME 6829.66 LOAD: AVG 0.118005 MAX 0.203726 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 6829.66 LOAD: AVG 0.118005 MAX 0.203726 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.434 MB LDB: TIME 6829.66 LOAD: AVG 0.118005 MAX 0.203726 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.434 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6829.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6829.66 PRESSURE: 2264400 -136.027 4.7476 135.426 4.74958 154.144 -45.2985 135.425 -45.2998 -41.7875 GPRESSURE: 2264400 -93.4308 0.778968 153.692 55.82 78.6892 -2.12421 204.537 -20.5412 90.4966 PRESSAVG: 2264400 28.9754 37.4459 16.3554 37.4459 -41.2105 -10.244 16.3555 -10.244 -5.55789 GPRESSAVG: 2264400 30.0542 35.8855 16.8732 36.4986 -40.7053 -7.56396 16.2687 -11.8286 -6.89327 TIMING: 2264400 CPU: 6826.45, 0.00305503/step Wall: 6826.45, 0.00305503/step, 2.32149 hours remaining, 208.453125 MB of memory in use. ENERGY: 2264400 740.5420 2083.7296 1955.4375 121.4443 -206085.8607 17695.4818 0.0000 0.0000 34432.8968 -149056.3287 300.7111 -183489.2255 -148962.1863 299.9642 -7.8902 25.2517 556463.7268 -5.9310 -5.8481 PRESSURE: 2264600 -166.408 -5.58662 -120.312 -5.58761 -16.3253 129.341 -120.312 129.34 -303.66 GPRESSURE: 2264600 -123.547 -1.66972 -131.063 -29.6826 22.1671 121.112 -163.864 135.642 -295.665 PRESSAVG: 2264600 37.332 59.5862 24.1671 59.5862 7.21913 18.0074 24.1671 18.0074 -12.6866 GPRESSAVG: 2264600 36.1035 59.3701 23.278 60.9788 6.76895 15.5882 26.401 19.86 -11.0282 TIMING: 2264600 CPU: 6827.05, 0.00301665/step Wall: 6827.05, 0.00301665/step, 2.29215 hours remaining, 208.656250 MB of memory in use. ENERGY: 2264600 738.2470 2029.4385 1940.2979 111.9146 -205845.3470 17632.9571 0.0000 0.0000 34131.6973 -149260.7947 298.0806 -183392.4920 -149166.2288 299.8626 -162.1312 -132.3484 558517.3282 10.6215 10.6147 PRESSURE: 2264800 -17.8112 -102.941 -73.015 -102.94 196.567 -24.1848 -73.0141 -24.1847 194.548 GPRESSURE: 2264800 93.8307 -52.0921 -116.017 -69.0162 214.531 -103.789 -44.5442 -25.1786 172.512 PRESSAVG: 2264800 -18.7774 16.6027 -11.7098 16.6027 42.6391 -24.1808 -11.7098 -24.1807 -23.145 GPRESSAVG: 2264800 -18.6764 16.4243 -11.1058 16.299 42.7633 -23.2844 -11.9888 -23.2496 -23.0751 TIMING: 2264800 CPU: 6827.65, 0.00300331/step Wall: 6827.65, 0.00300331/step, 2.28185 hours remaining, 208.656250 MB of memory in use. ENERGY: 2264800 733.3216 2075.9512 1905.1469 104.7039 -206463.1532 17952.4055 0.0000 0.0000 34555.4299 -149136.1943 301.7812 -183691.6242 -149036.4255 299.0463 124.4346 160.2911 557895.5871 0.2389 0.3373 PRESSURE: 2265000 33.765 99.2069 -15.5317 99.2066 -344.397 4.95415 -15.531 4.95375 -124.127 GPRESSURE: 2265000 54.5549 57.3865 -114.464 -29.8402 -334.424 67.3983 -5.17881 -48.7619 -50.161 PRESSAVG: 2265000 18.4261 -4.13616 15.1728 -4.13612 -3.94956 -15.435 15.1727 -15.435 -2.31004 GPRESSAVG: 2265000 17.9726 -5.74904 13.7566 -3.45662 -4.64375 -17.1246 15.8845 -16.1931 -1.05734 TIMING: 2265000 CPU: 6828.26, 0.00302325/step Wall: 6828.26, 0.00302325/step, 2.29683 hours remaining, 208.687500 MB of memory in use. ENERGY: 2265000 739.6586 2067.3794 1950.5359 120.4727 -205884.7033 17527.1422 0.0000 0.0000 34533.1777 -148946.3369 301.5868 -183479.5146 -148845.2463 299.7804 -144.9195 -110.0100 557311.9041 4.0555 4.0905 PRESSURE: 2265200 -174.912 213.054 104.761 213.054 -13.6934 -5.33709 104.762 -5.33639 -453.333 GPRESSURE: 2265200 -161.686 194.654 53.7162 205.473 -4.84305 28.8381 153.761 26.521 -382.083 PRESSAVG: 2265200 28.0977 16.2634 -37.9149 16.2635 -29.1982 -45.9626 -37.9149 -45.9626 -14.0256 GPRESSAVG: 2265200 28.3321 20.7937 -36.6663 14.9906 -28.3161 -45.5052 -40.2821 -47.8585 -14.6845 TIMING: 2265200 CPU: 6828.86, 0.00302793/step Wall: 6828.86, 0.00302793/step, 2.30022 hours remaining, 208.687500 MB of memory in use. ENERGY: 2265200 764.4315 2050.3067 1945.3724 109.0120 -205842.6528 17508.6689 0.0000 0.0000 34366.3289 -149098.5324 300.1297 -183464.8613 -148995.2193 299.5151 -213.9796 -182.8708 556362.6770 -5.0420 -4.8895 PRESSURE: 2265400 39.5208 205.21 -24.1249 205.211 115.5 -9.08231 -24.1243 -9.0829 -329.187 GPRESSURE: 2265400 37.7894 223.559 43.8353 206.023 173.292 78.0234 -10.1233 -56.8095 -282.026 PRESSAVG: 2265400 68.0214 -24.0372 -9.59811 -24.0373 8.71674 55.8688 -9.59801 55.8687 -61.2776 GPRESSAVG: 2265400 67.2523 -26.1901 -8.22888 -23.9005 8.5558 55.5749 -9.24507 57.9958 -60.4059 TIMING: 2265400 CPU: 6829.46, 0.00300765/step Wall: 6829.46, 0.00300765/step, 2.28465 hours remaining, 208.687500 MB of memory in use. ENERGY: 2265400 739.3412 2079.2192 1923.9406 100.7161 -205762.1809 17462.7536 0.0000 0.0000 34287.8744 -149168.3357 299.4445 -183456.2101 -149074.5242 300.1878 -58.0555 -23.6480 557057.7273 5.1535 5.1341 PRESSURE: 2265600 140.472 143.538 -35.8859 143.539 -18.8975 -96.3855 -35.8857 -96.3845 119.648 GPRESSURE: 2265600 234.133 79.0703 -24.3528 164.681 49.8436 -107.174 13.1782 -95.1918 74.2526 PRESSAVG: 2265600 25.3453 -12.0782 -23.5635 -12.0782 60.2082 20.6432 -23.5635 20.6431 -68.6133 GPRESSAVG: 2265600 26.9856 -13.0871 -23.2893 -11.3509 59.3059 21.8736 -23.0327 20.1921 -69.7358 TIMING: 2265600 CPU: 6830.06, 0.00299574/step Wall: 6830.06, 0.00299574/step, 2.27543 hours remaining, 208.687500 MB of memory in use. ENERGY: 2265600 763.8879 2079.9951 1945.0222 128.6144 -206482.6947 17872.0842 0.0000 0.0000 34629.6476 -149063.4433 302.4293 -183693.0909 -148967.6640 299.7378 80.4074 119.4099 555393.8633 5.6467 5.5186 PRESSURE: 2265800 -229.672 -43.679 2.40926 -43.6779 -133.061 121.71 2.40746 121.71 -137.676 GPRESSURE: 2265800 -270.807 -78.5765 5.95171 -19.986 -61.4724 102.031 -86.3468 157.548 -65.1962 PRESSAVG: 2265800 -36.2031 15.9071 10.8282 15.9071 70.9371 -49.3269 10.8282 -49.3268 27.464 GPRESSAVG: 2265800 -37.5978 15.9879 9.85587 16.8521 73.0252 -50.4758 10.611 -49.6435 27.0967 TIMING: 2265800 CPU: 6830.66, 0.00299479/step Wall: 6830.66, 0.00299479/step, 2.27455 hours remaining, 208.687500 MB of memory in use. ENERGY: 2265800 728.0579 2132.7149 1956.5368 109.0214 -205573.0804 17526.9654 0.0000 0.0000 34155.3226 -148964.4613 298.2869 -183119.7840 -148875.5924 299.8861 -166.8030 -132.4919 557486.5798 20.7327 20.8414 PRESSURE: 2266000 249.477 129.121 7.42789 129.121 -19.6166 -70.0011 7.42909 -70.0004 222.488 GPRESSURE: 2266000 205.388 207.632 -89.1798 45.6368 26.1267 -60.452 35.3517 -110.063 316.604 PRESSAVG: 2266000 1.28151 72.8577 14.2601 72.8577 -20.2543 17.9201 14.2602 17.9201 30.4973 GPRESSAVG: 2266000 1.83142 74.0412 12.061 71.9879 -21.4174 19.3424 16.1811 18.2483 31.4901 TIMING: 2266000 CPU: 6831.26, 0.00298323/step Wall: 6831.26, 0.00298323/step, 2.2656 hours remaining, 208.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2266000 761.8251 2096.3812 1952.5578 102.0911 -206245.2111 17813.8954 0.0000 0.0000 34524.7005 -148993.7601 301.5128 -183518.4605 -148889.2565 300.9305 150.7830 182.7062 555950.0293 3.8415 3.9680 PRESSURE: 2266200 -297.382 -148.878 -85.0134 -148.879 -288.909 -93.1478 -85.0131 -93.1468 -338.212 GPRESSURE: 2266200 -273.92 -135.232 -49.0882 -51.2674 -257.136 -38.4378 -104.924 -143.1 -286.862 PRESSAVG: 2266200 -47.2706 28.7207 -43.2003 28.7208 40.6206 28.4209 -43.2003 28.4208 43.087 GPRESSAVG: 2266200 -47.1821 28.7449 -40.215 29.9142 39.2277 28.78 -45.3725 27.621 44.5948 TIMING: 2266200 CPU: 6831.86, 0.00300391/step Wall: 6831.86, 0.00300391/step, 2.28113 hours remaining, 208.687500 MB of memory in use. ENERGY: 2266200 774.9270 2100.5548 1976.0231 101.3346 -205775.4098 17362.6165 0.0000 0.0000 34575.1459 -148884.8078 301.9533 -183459.9537 -148791.1446 300.7120 -308.1676 -272.6394 557081.0319 12.1457 12.2135 PRESSURE: 2266400 159.149 37.7861 -121.639 37.7883 16.2133 128.169 -121.638 128.168 108.122 GPRESSURE: 2266400 234.855 49.229 -154.394 15.4718 42.9084 118.657 -108.934 102.75 104.5 PRESSAVG: 2266400 65.4296 10.5905 12.8338 10.5904 -22.2834 -9.95288 12.8337 -9.95283 -35.9611 GPRESSAVG: 2266400 67.2031 9.73676 11.2779 11.7532 -22.9285 -10.5872 13.6931 -9.25804 -36.5846 TIMING: 2266400 CPU: 6832.46, 0.00300681/step Wall: 6832.46, 0.00300681/step, 2.28317 hours remaining, 208.687500 MB of memory in use. ENERGY: 2266400 712.7907 2138.8643 1939.7562 120.8538 -205960.4619 17791.2415 0.0000 0.0000 34405.3388 -148851.6167 300.4704 -183256.9554 -148753.5851 300.7763 94.4949 127.4209 557779.7774 2.3950 2.5633 PRESSURE: 2266600 -320.626 -46.0311 64.4924 -46.0322 -238.027 58.0732 64.4919 58.0731 -58.8143 GPRESSURE: 2266600 -280.379 -109.75 40.5682 -59.5904 -267.008 84.5978 91.7151 59.15 36.0174 PRESSAVG: 2266600 -72.0944 2.38711 -18.3605 2.38714 -46.5456 20.5455 -18.3605 20.5455 60.9426 GPRESSAVG: 2266600 -72.8518 1.82145 -20.3578 0.473864 -44.6048 19.8068 -17.256 19.1575 59.7723 TIMING: 2266600 CPU: 6833.06, 0.00301204/step Wall: 6833.06, 0.00301204/step, 2.28698 hours remaining, 208.687500 MB of memory in use. ENERGY: 2266600 744.0912 2111.7261 1943.3813 103.2557 -205750.7510 17388.6770 0.0000 0.0000 34571.9675 -148887.6523 301.9256 -183459.6198 -148782.1961 300.6357 -205.8226 -170.4566 556322.9172 -19.2325 -19.2281 PRESSURE: 2266800 -58.3424 201.81 -167.412 201.81 45.5604 -141.836 -167.412 -141.837 -284.079 GPRESSURE: 2266800 -48.5111 160.438 -259.588 136.221 113.059 -144.358 -50.5684 -107.309 -266.193 PRESSAVG: 2266800 -81.4386 20.0078 -48.6656 20.0077 35.3805 -36.046 -48.6656 -36.0461 69.3826 GPRESSAVG: 2266800 -82.2257 20.7667 -47.3279 19.9239 35.816 -35.0508 -49.5143 -34.7478 70.4696 TIMING: 2266800 CPU: 6833.66, 0.00299897/step Wall: 6833.66, 0.00299897/step, 2.27688 hours remaining, 208.687500 MB of memory in use. ENERGY: 2266800 757.9371 2188.1377 1911.3856 118.1395 -205841.0186 17636.6699 0.0000 0.0000 34197.8261 -149030.9226 298.6581 -183228.7487 -148929.1084 300.3338 -98.9536 -67.2152 556792.4987 7.7748 8.0200 PRESSURE: 2267000 -242.527 -58.9734 57.0496 -58.9721 -82.1368 -83.6791 57.0486 -83.6788 -314.216 GPRESSURE: 2267000 -248.166 -71.2825 -43.4712 -110.133 30.0874 -113.699 29.3901 -22.0893 -319.572 PRESSAVG: 2267000 -3.61185 25.6465 -0.225969 25.6465 -16.8261 5.95871 -0.225951 5.95866 40.8658 GPRESSAVG: 2267000 -2.84714 26.8984 -1.79507 25.7369 -17.6335 7.37724 -0.331955 3.94833 40.8892 TIMING: 2267000 CPU: 6834.26, 0.00300662/step Wall: 6834.26, 0.00300662/step, 2.28253 hours remaining, 208.687500 MB of memory in use. ENERGY: 2267000 755.9103 2057.9980 1944.3148 113.1466 -205700.1900 17555.8287 0.0000 0.0000 34326.2374 -148946.7542 299.7796 -183272.9916 -148853.0284 299.6206 -212.9600 -179.2166 559118.7301 6.8093 6.8029 PRESSURE: 2267200 193.259 43.3429 -181.329 43.3441 95.267 1.56619 -181.329 1.56717 313.018 GPRESSURE: 2267200 231.485 99.9611 -196.713 104.844 125.826 -57.6558 -187.359 -41.5051 349.804 PRESSAVG: 2267200 65.8097 -21.5744 17.7868 -21.5744 -67.6003 -17.8454 17.7868 -17.8455 -6.41901 GPRESSAVG: 2267200 65.1532 -22.5523 21.0669 -19.7209 -66.9139 -20.0626 17.7132 -18.0645 -6.45421 TIMING: 2267200 CPU: 6834.86, 0.00298813/step Wall: 6834.86, 0.00298813/step, 2.26833 hours remaining, 208.687500 MB of memory in use. ENERGY: 2267200 794.3091 2084.2377 1942.0479 122.5517 -206335.0103 18157.5605 0.0000 0.0000 34164.7879 -149069.5154 298.3696 -183234.3034 -148979.5320 299.4369 200.5146 235.7047 556824.8783 -2.7365 -2.7383 PRESSURE: 2267400 -64.678 3.0045 -0.0525721 3.0039 -177.027 -69.754 -0.0527029 -69.753 -43.509 GPRESSURE: 2267400 -136.208 65.3687 6.05575 14.6053 -75.0903 -133.914 -14.3234 9.75172 23.1737 PRESSAVG: 2267400 48.2402 50.5513 13.6502 50.5513 -66.2061 -5.25888 13.6503 -5.25887 2.70554 GPRESSAVG: 2267400 48.0305 49.1525 13.1221 48.3238 -66.6502 -1.99309 11.1655 -4.63028 3.99885 TIMING: 2267400 CPU: 6835.46, 0.0030063/step Wall: 6835.46, 0.0030063/step, 2.28195 hours remaining, 208.687500 MB of memory in use. ENERGY: 2267400 793.6976 2077.3759 1954.5873 111.4346 -205932.0177 17594.6217 0.0000 0.0000 34484.4404 -148915.8602 301.1612 -183400.3006 -148817.3794 298.9365 -95.0714 -62.7081 558142.6233 -5.0868 -4.8736 PRESSURE: 2267600 90.3451 107.69 101.399 107.689 -244.785 -115.937 101.4 -115.936 -71.8118 GPRESSURE: 2267600 197.347 163.124 28.7201 97.0465 -203.7 -105.687 68.3664 -140.405 -119.227 PRESSAVG: 2267600 2.378 1.29865 16.8444 1.29858 -29.3397 -6.98779 16.8443 -6.98783 -8.52671 GPRESSAVG: 2267600 2.94737 3.42954 17.7132 2.15853 -28.8395 -6.5926 18.2353 -5.77095 -9.62387 TIMING: 2267600 CPU: 6836.07, 0.00301911/step Wall: 6836.07, 0.00301911/step, 2.29151 hours remaining, 208.687500 MB of memory in use. ENERGY: 2267600 744.8660 2083.6697 1949.8963 95.1458 -205535.7906 17527.6005 0.0000 0.0000 34271.3110 -148863.3012 299.2999 -183134.6122 -148765.6603 300.0072 -75.4171 -41.8598 559697.6970 -11.8295 -11.8387 PRESSURE: 2267800 -156.592 115.72 -97.8994 115.722 -262.88 66.6491 -97.8992 66.649 -621.345 GPRESSURE: 2267800 -165.897 84.3763 -88.5506 82.5288 -225.52 37.6593 -113.898 122.796 -551.584 PRESSAVG: 2267800 37.6782 53.8768 -21.7193 53.8769 -87.5337 28.9103 -21.7194 28.9103 -4.90751 GPRESSAVG: 2267800 37.4283 52.4841 -21.8289 51.5781 -87.7238 26.5114 -21.1853 29.3822 -4.39194 TIMING: 2267800 CPU: 6836.67, 0.00299928/step Wall: 6836.67, 0.00299928/step, 2.27629 hours remaining, 208.890625 MB of memory in use. ENERGY: 2267800 737.7851 2094.4248 1947.5254 102.2554 -205410.1666 17281.6127 0.0000 0.0000 34358.6322 -148887.9310 300.0625 -183246.5632 -148782.0434 299.2780 -346.9390 -314.3340 559576.3999 -18.2544 -18.2292 PRESSURE: 2268000 115.6 96.9839 62.8704 96.9842 -157.109 -60.5651 62.8704 -60.5655 172.243 GPRESSURE: 2268000 116.787 20.5384 92.4278 168.315 -76.6053 -82.4853 34.8892 -27.9857 182.767 PRESSAVG: 2268000 -9.72532 22.646 -14.6238 22.6459 42.7277 -1.98054 -14.6239 -1.98048 -50.5658 GPRESSAVG: 2268000 -9.03569 23.168 -12.7983 23.2637 42.9957 -1.72746 -17.1942 -2.89559 -50.9677 TIMING: 2268000 CPU: 6837.27, 0.00301227/step Wall: 6837.27, 0.00301227/step, 2.28598 hours remaining, 208.890625 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: 2268000 774.2137 2053.4189 1965.3032 98.5404 -205938.3318 17901.3567 0.0000 0.0000 34134.9486 -149010.5504 298.1090 -183145.4990 -148911.8818 299.5145 43.5778 74.3164 557797.8511 -5.8545 -5.6692 PRESSURE: 2268200 -51.3116 81.0775 80.2415 81.0786 -49.4125 -29.87 80.2426 -29.8701 -15.7211 GPRESSURE: 2268200 -31.7051 59.9332 98.0925 170.336 -52.9102 57.1945 -78.4094 -68.0935 68.7198 PRESSAVG: 2268200 -18.7037 -38.6821 -2.65874 -38.682 0.415836 -28.1936 -2.65862 -28.1935 2.12495 GPRESSAVG: 2268200 -19.1495 -40.6244 -2.86073 -36.7012 1.539 -27.4892 -1.9423 -27.5141 2.28328 TIMING: 2268200 CPU: 6837.87, 0.00301588/step Wall: 6837.87, 0.00301588/step, 2.28855 hours remaining, 208.890625 MB of memory in use. ENERGY: 2268200 752.7123 2099.3846 1932.1559 115.7371 -205988.8067 17690.8493 0.0000 0.0000 34446.6143 -148951.3533 300.8309 -183397.9675 -148848.5211 299.5126 -38.8151 -5.2985 557219.1313 -5.3877 -5.1091 LDB: ============= START OF LOAD BALANCING ============== 6841.39 LDB: ============== END OF LOAD BALANCING =============== 6841.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6841.39 LDB: ============= START OF LOAD BALANCING ============== 6841.69 LDB: Largest compute 4772 load 0.030795 is 26.1% of average load 0.118054 LDB: Average compute 0.001725 is 1.5% of average load 0.118054 LDB: TIME 6841.69 LOAD: AVG 0.118054 MAX 0.201986 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.23 MB LDB: TIME 6841.69 LOAD: AVG 0.118054 MAX 0.201986 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.23 MB LDB: TIME 6841.69 LOAD: AVG 0.118054 MAX 0.201986 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.23 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6841.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6841.7 PRESSURE: 2268400 -49.757 73.1014 5.4952 73.1018 -172.375 -38.9696 5.49654 -38.9697 185.23 GPRESSURE: 2268400 -32.4019 49.2053 43.745 127.678 -105.183 -29.7424 -4.97096 -97.3867 192.788 PRESSAVG: 2268400 58.3945 35.9838 -21.5556 35.9838 -35.9493 -38.6996 -21.5556 -38.6996 -29.371 GPRESSAVG: 2268400 58.4923 38.5232 -23.766 37.7952 -36.7252 -39.1654 -20.4537 -39.4436 -28.5705 TIMING: 2268400 CPU: 6838.48, 0.00306005/step Wall: 6838.48, 0.00306005/step, 2.3219 hours remaining, 210.742188 MB of memory in use. ENERGY: 2268400 750.1202 2044.5887 1939.4654 117.9860 -205690.9178 17630.3956 0.0000 0.0000 34425.6447 -148782.7173 300.6477 -183208.3619 -148686.9233 299.9639 -12.3007 18.4010 557510.7660 -2.3086 -2.2678 PRESSURE: 2268600 -55.2917 11.0006 -257.742 11.0005 -137.254 12.7479 -257.742 12.7482 43.6399 GPRESSURE: 2268600 -31.8217 54.7154 -325.863 17.1302 -95.4403 -84.0145 -208.089 8.59444 77.7583 PRESSAVG: 2268600 -28.7141 -1.71547 -44.7762 -1.71549 -39.7402 -6.05138 -44.7762 -6.05137 26.0671 GPRESSAVG: 2268600 -29.1249 -3.32572 -45.312 -2.33981 -38.6666 -7.23903 -43.7927 -4.83011 25.2501 TIMING: 2268600 CPU: 6839.09, 0.00300886/step Wall: 6839.09, 0.00300886/step, 2.28289 hours remaining, 210.812500 MB of memory in use. ENERGY: 2268600 754.8536 2046.5793 1958.2788 119.8680 -206061.8492 17847.6022 0.0000 0.0000 34427.2391 -148907.4282 300.6616 -183334.6673 -148812.6013 300.4658 -49.6353 -16.5012 558264.9009 -14.1290 -14.1804 PRESSURE: 2268800 -3.60068 -82.205 -198.98 -82.2064 -217.414 -110.606 -198.98 -110.607 -250.309 GPRESSURE: 2268800 -40.3851 -106.602 -164.378 -127.093 -133.085 -117.613 -169.218 6.67825 -215.614 PRESSAVG: 2268800 7.02748 50.4594 17.2876 50.4593 -14.3599 -5.62816 17.2877 -5.62818 -2.21425 GPRESSAVG: 2268800 7.22321 49.4856 18.3176 51.4401 -14.5795 -7.0416 16.3374 -5.41169 -1.91197 TIMING: 2268800 CPU: 6839.69, 0.00300329/step Wall: 6839.69, 0.00300329/step, 2.2785 hours remaining, 210.812500 MB of memory in use. ENERGY: 2268800 739.5045 2042.5005 1943.6807 118.6683 -205756.0166 17567.6564 0.0000 0.0000 34323.8105 -149020.1956 299.7584 -183344.0061 -148931.6474 300.5278 -157.1079 -129.6945 559153.7408 -3.1822 -3.0894 PRESSURE: 2269000 -282.644 180.756 -29.5239 180.757 9.59079 139.716 -29.5249 139.717 373.998 GPRESSURE: 2269000 -247.666 111.475 -58.5598 182.105 52.0815 59.2013 22.5297 176.922 386.521 PRESSAVG: 2269000 -37.7571 40.4712 18.187 40.4712 2.68088 -43.4722 18.1871 -43.4724 19.768 GPRESSAVG: 2269000 -36.6769 41.4197 19.7785 39.3158 2.38812 -38.9786 18.0728 -45.84 19.2335 TIMING: 2269000 CPU: 6840.29, 0.00301873/step Wall: 6840.29, 0.00301873/step, 2.29004 hours remaining, 210.812500 MB of memory in use. ENERGY: 2269000 741.4253 2040.0857 1948.0218 117.1019 -206010.6937 17743.0814 0.0000 0.0000 34290.1747 -149130.8029 299.4646 -183420.9776 -149030.0013 299.5416 33.6482 63.6456 556524.9124 -5.1027 -5.0184 PRESSURE: 2269200 -191.535 62.7674 -11.7525 62.7665 -37.3725 -186.737 -11.7525 -186.736 -14.4278 GPRESSURE: 2269200 -174.81 124.429 -35.748 40.7838 -6.03284 -227.696 104.365 -230.66 31.3857 PRESSAVG: 2269200 8.83235 41.5984 4.51617 41.5984 5.76382 47.3187 4.51611 47.3187 48.174 GPRESSAVG: 2269200 8.65694 43.2212 1.92027 39.2717 5.63117 44.6216 5.00142 48.1556 47.9046 TIMING: 2269200 CPU: 6840.89, 0.00298868/step Wall: 6840.89, 0.00298868/step, 2.26708 hours remaining, 210.812500 MB of memory in use. ENERGY: 2269200 728.5718 2064.7554 1955.5391 118.7850 -205752.8082 17582.7313 0.0000 0.0000 34128.2943 -149174.1313 298.0509 -183302.4256 -149078.8494 299.2324 -81.1117 -49.8190 558133.1083 20.9234 20.7309 PRESSURE: 2269400 52.8843 114.411 29.6692 114.411 -179.823 43.9149 29.6701 43.9145 -168.039 GPRESSURE: 2269400 53.3103 182.143 11.937 72.0328 -180.363 28.9453 93.4293 78.0266 -78.1232 PRESSAVG: 2269400 13.0603 16.9899 1.7446 16.9899 -18.1616 31.351 1.74457 31.3509 -24.3472 GPRESSAVG: 2269400 12.3733 15.5086 2.54425 20.0594 -18.8158 30.7701 2.21703 32.4744 -23.0216 TIMING: 2269400 CPU: 6841.49, 0.00300345/step Wall: 6841.49, 0.00300345/step, 2.27812 hours remaining, 210.937500 MB of memory in use. ENERGY: 2269400 738.1538 2000.1556 1950.1876 121.6893 -205893.4455 17511.0850 0.0000 0.0000 34330.7562 -149241.4181 299.8190 -183572.1743 -149141.0384 298.7863 -98.3259 -68.3920 558747.3956 -9.8161 -9.8214 PRESSURE: 2269600 -27.5293 132.838 -139.39 132.837 -104.587 121.724 -139.39 121.724 40.7739 GPRESSURE: 2269600 32.4041 177.871 -201.616 95.7899 -55.185 118.69 -70.3113 74.9854 17.7668 PRESSAVG: 2269600 -6.61507 59.2104 15.7785 59.2104 8.64029 8.52871 15.7784 8.52875 3.24925 GPRESSAVG: 2269600 -6.07143 58.5046 15.7602 57.9594 8.85379 11.5718 14.5915 6.4122 2.69796 TIMING: 2269600 CPU: 6842.09, 0.00302194/step Wall: 6842.09, 0.00302194/step, 2.29197 hours remaining, 210.937500 MB of memory in use. ENERGY: 2269600 756.9638 2061.0215 1934.5827 111.9695 -206343.6629 17770.4196 0.0000 0.0000 34284.5533 -149424.1525 299.4155 -183708.7058 -149328.2829 299.3821 -30.4476 -1.6713 556229.8789 1.7582 1.8268 PRESSURE: 2269800 -76.8588 97.9538 78.3579 97.9554 -297.263 116.65 78.3563 116.65 -158.541 GPRESSURE: 2269800 -67.2268 130.543 112.628 64.9942 -235.195 103.271 122.59 72.562 -119.857 PRESSAVG: 2269800 31.7297 18.2296 36.7964 18.2296 29.7779 0.513802 36.7964 0.513882 -19.8187 GPRESSAVG: 2269800 31.9309 19.2499 35.7156 18.8432 29.6347 0.533517 37.7777 -0.500961 -19.6922 TIMING: 2269800 CPU: 6842.7, 0.00301596/step Wall: 6842.7, 0.00301596/step, 2.28727 hours remaining, 210.937500 MB of memory in use. ENERGY: 2269800 752.9696 2063.5708 1944.3210 125.9366 -206109.4010 17612.5725 0.0000 0.0000 34197.3964 -149412.6340 298.6544 -183610.0305 -149309.7065 298.7404 -177.5543 -140.7594 558396.2958 13.8963 13.9578 PRESSURE: 2270000 -30.8498 -18.7875 185.61 -18.7887 64.5424 -119.109 185.61 -119.11 -306.152 GPRESSURE: 2270000 46.4429 -32.6056 165.72 -29.0731 26.8291 -38.901 121.603 -139.434 -249.983 PRESSAVG: 2270000 -31.3567 -12.2744 47.0504 -12.2743 1.3307 2.17698 47.0505 2.17697 34.2754 GPRESSAVG: 2270000 -31.5147 -12.8618 46.185 -12.7275 0.76803 -0.106993 47.726 3.3315 34.8197 TIMING: 2270000 CPU: 6843.29, 0.00298407/step Wall: 6843.29, 0.00298407/step, 2.26292 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: 2270000 758.2020 2086.1472 1952.9583 105.0628 -206314.6925 17751.5692 0.0000 0.0000 34302.2615 -149358.4916 299.5702 -183660.7530 -149261.2803 298.2760 -90.8197 -58.9038 558348.7882 1.4165 1.3577 PRESSURE: 2270200 236.877 54.1656 156.338 54.1655 110.544 -147.051 156.338 -147.052 -100.376 GPRESSURE: 2270200 251.133 -45.3177 185.654 116.051 130.757 -85.23 81.6676 -221.23 -28.449 PRESSAVG: 2270200 20.1361 4.48042 5.90462 4.4804 -2.2655 -28.1613 5.90468 -28.1613 -31.3218 GPRESSAVG: 2270200 19.7794 3.45158 8.16465 4.77506 -1.18195 -28.2384 4.84856 -28.0177 -31.5543 TIMING: 2270200 CPU: 6843.9, 0.00301082/step Wall: 6843.9, 0.00301082/step, 2.28304 hours remaining, 210.937500 MB of memory in use. ENERGY: 2270200 754.3765 2103.5972 1947.7016 117.8225 -206638.2410 18057.5737 0.0000 0.0000 34334.7688 -149322.4008 299.8541 -183657.1696 -149223.7897 299.0438 82.3484 117.8137 557840.9455 -4.4838 -4.3189 PRESSURE: 2270400 190.231 60.4674 300.431 60.4672 34.2306 66.6657 300.431 66.6667 -4.00429 GPRESSURE: 2270400 203.885 109.175 273.784 -7.15088 110.986 18.8812 280.55 120.028 -1.21822 PRESSAVG: 2270400 -28.4284 -57.0677 101.907 -57.0676 -4.489 31.4044 101.906 31.4045 40.7666 GPRESSAVG: 2270400 -28.1831 -56.3937 100.197 -57.7779 -3.74364 32.054 101.867 31.1952 39.7834 TIMING: 2270400 CPU: 6844.5, 0.00301426/step Wall: 6844.5, 0.00301426/step, 2.28548 hours remaining, 210.937500 MB of memory in use. ENERGY: 2270400 700.0930 2093.3638 1954.3908 114.5130 -206179.3545 17927.2576 0.0000 0.0000 34158.0681 -149231.6682 298.3109 -183389.7363 -149142.1629 299.3104 73.4859 104.5508 558564.2101 2.6164 2.6189 PRESSURE: 2270600 105.665 -59.8063 114.333 -59.8055 -249.191 64.2614 114.332 64.2603 -19.583 GPRESSURE: 2270600 139.654 -110.074 121.133 -122.757 -178.825 3.54691 106.108 67.2805 -21.8849 PRESSAVG: 2270600 60.2495 -15.9729 50.2023 -15.9729 -16.2974 14.1791 50.2022 14.1792 -22.7805 GPRESSAVG: 2270600 59.69 -17.4892 50.1169 -14.6959 -16.5506 12.8359 51.4248 13.0938 -22.4507 TIMING: 2270600 CPU: 6845.1, 0.00300571/step Wall: 6845.1, 0.00300571/step, 2.27883 hours remaining, 210.937500 MB of memory in use. ENERGY: 2270600 699.6567 2146.6507 1975.5035 114.2172 -206472.1637 17754.6237 0.0000 0.0000 34564.9485 -149216.5635 301.8643 -183781.5120 -149115.1493 299.0119 -54.3698 -20.3518 557963.9595 7.0572 6.8962 PRESSURE: 2270800 134.029 -153.067 92.1227 -153.067 96.1838 -41.8526 92.1229 -41.8519 -94.7893 GPRESSURE: 2270800 98.1753 -126.581 101.201 -192.089 144.686 -52.9223 75.0159 32.1089 -11.2746 PRESSAVG: 2270800 -1.41675 -49.1192 31.7011 -49.1193 -23.965 -17.6643 31.7011 -17.6641 65.8733 GPRESSAVG: 2270800 -1.66844 -47.0145 31.4531 -51.0021 -24.9312 -18.9662 29.7377 -16.9955 66.7693 TIMING: 2270800 CPU: 6845.7, 0.00300803/step Wall: 6845.7, 0.00300803/step, 2.28042 hours remaining, 210.937500 MB of memory in use. ENERGY: 2270800 741.6393 2057.9940 1940.6624 116.2003 -206408.8572 18034.5476 0.0000 0.0000 34261.2318 -149256.5818 299.2119 -183517.8136 -149164.3716 299.2735 45.1413 77.1954 558298.4667 13.4972 13.3899 PRESSURE: 2271000 254.329 158.279 -54.8679 158.278 -180.074 80.4217 -54.8695 80.4222 106.385 GPRESSURE: 2271000 298.259 99.6589 -44.802 245.686 -119.591 84.3671 -77.755 83.2038 105.465 PRESSAVG: 2271000 126.934 -22.8596 -4.56962 -22.8596 -95.3614 24.568 -4.56959 24.568 -74.8398 GPRESSAVG: 2271000 126.238 -21.758 -5.15619 -22.2903 -94.2237 26.9915 -3.99685 24.2189 -75.0134 TIMING: 2271000 CPU: 6846.3, 0.00300865/step Wall: 6846.3, 0.00300865/step, 2.28072 hours remaining, 210.937500 MB of memory in use. ENERGY: 2271000 768.4532 2068.9473 1955.1357 104.4894 -206189.7316 17856.7460 0.0000 0.0000 34262.0476 -149173.9124 299.2190 -183435.9600 -149073.0244 299.3356 60.2134 94.7112 557519.5343 -14.4225 -14.3331 PRESSURE: 2271200 -232.237 141.705 148.618 141.706 219.011 -36.1957 148.619 -36.1971 -215.316 GPRESSURE: 2271200 -186.984 154.684 138.505 175.148 222.231 -41.3689 83.0139 -15.6548 -165.47 PRESSAVG: 2271200 -43.8259 55.2415 -34.5322 55.2414 -6.81121 -5.7514 -34.5321 -5.7514 35.5714 GPRESSAVG: 2271200 -43.7957 52.4658 -34.0833 57.7943 -6.5057 -7.48035 -32.8941 -4.93592 34.3361 TIMING: 2271200 CPU: 6846.9, 0.00298978/step Wall: 6846.9, 0.00298978/step, 2.26626 hours remaining, 210.937500 MB of memory in use. ENERGY: 2271200 753.8020 2055.4831 1938.1821 119.0533 -205967.2378 17690.7065 0.0000 0.0000 34272.1364 -149137.8743 299.3071 -183410.0107 -149043.9449 299.4525 -76.1808 -43.4075 558363.2697 -5.0219 -5.3218 PRESSURE: 2271400 65.8256 100.933 98.0194 100.932 150.059 -71.7199 98.0192 -71.7186 120.923 GPRESSURE: 2271400 104.632 23.5452 138.098 118.032 159.754 3.60806 37.3549 -93.5534 164.392 PRESSAVG: 2271400 -32.2314 21.2689 13.9024 21.2689 -75.0441 3.11751 13.9023 3.11764 97.1031 GPRESSAVG: 2271400 -31.2853 23.4828 14.3579 19.4153 -76.7373 3.26314 12.8769 3.15673 97.6924 TIMING: 2271400 CPU: 6847.5, 0.0029894/step Wall: 6847.5, 0.0029894/step, 2.2658 hours remaining, 210.937500 MB of memory in use. ENERGY: 2271400 722.7789 2083.2550 1946.7791 115.5577 -206141.5506 17937.2261 0.0000 0.0000 34127.4884 -149208.4654 298.0438 -183335.9538 -149110.5582 299.2214 112.2692 142.9262 557807.7833 -3.3908 -3.4434 PRESSURE: 2271600 134.636 49.2428 -105.683 49.2427 -89.2371 -22.5113 -105.682 -22.5118 163.529 GPRESSURE: 2271600 165.479 45.2476 -144.817 83.9028 -78.2924 -70.0232 -15.6834 -72.1253 227.903 PRESSAVG: 2271600 -0.237055 -5.31762 3.46293 -5.31762 -38.2971 -12.6167 3.46304 -12.6167 63.3618 GPRESSAVG: 2271600 0.216831 -4.99934 3.2855 -5.67186 -38.571 -11.0019 3.69113 -13.0304 63.0811 TIMING: 2271600 CPU: 6848.1, 0.00300514/step Wall: 6848.1, 0.00300514/step, 2.27756 hours remaining, 210.937500 MB of memory in use. ENERGY: 2271600 703.4573 2065.5397 1925.9156 119.7695 -206504.8882 18139.5270 0.0000 0.0000 34264.4473 -149286.2317 299.2399 -183550.6790 -149187.3869 299.0264 69.6426 105.0301 557481.9917 8.2759 8.2423 PRESSURE: 2271800 -101.842 -151.948 4.46514 -151.948 -176.206 -98.118 4.46488 -98.1205 82.6306 GPRESSURE: 2271800 -27.2659 -131.34 -176.601 -227.443 -203.349 -84.2713 141.799 -46.3465 138.111 PRESSAVG: 2271800 -30.0742 -58.2454 -4.8128 -58.2454 -12.81 -53.0809 -4.81274 -53.0809 9.65192 GPRESSAVG: 2271800 -31.0723 -58.3651 -5.88566 -57.697 -12.8581 -52.0799 -3.7294 -55.6711 10.6522 TIMING: 2271800 CPU: 6848.7, 0.00301417/step Wall: 6848.7, 0.00301417/step, 2.28424 hours remaining, 210.937500 MB of memory in use. ENERGY: 2271800 738.8343 2092.0555 1965.9524 127.2989 -206134.1239 17655.3637 0.0000 0.0000 34140.2010 -149414.4180 298.1549 -183554.6190 -149324.1683 298.8739 -65.1391 -30.8347 557365.4491 -11.0774 -11.0928 PRESSURE: 2272000 43.9063 -127.82 94.8238 -127.821 -249.013 30.4562 94.8241 30.4554 -62.0547 GPRESSURE: 2272000 27.8252 -89.0931 44.6949 -96.1303 -154.385 -96.1982 193.451 54.842 -46.8223 PRESSAVG: 2272000 43.8953 -4.51976 34.2278 -4.51981 -45.1408 -9.34557 34.2279 -9.34562 21.4867 GPRESSAVG: 2272000 44.0385 -5.51638 35.0427 -4.34462 -43.7613 -11.7891 32.6089 -7.2963 19.8571 TIMING: 2272000 CPU: 6849.31, 0.00305173/step Wall: 6849.31, 0.00305173/step, 2.31254 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: 2272000 730.4787 2081.5618 1997.1501 118.5130 -205932.0916 17445.3527 0.0000 0.0000 34179.6856 -149379.3497 298.4997 -183559.0353 -149278.9709 298.8981 -89.0538 -57.7942 556230.8977 6.7471 6.7114 PRESSURE: 2272200 123.055 -76.0889 -11.0654 -76.0898 -386.195 88.3536 -11.0657 88.353 -69.6999 GPRESSURE: 2272200 141.239 -143.352 -11.4616 -26.2962 -365.384 155.346 -37.3394 52.0368 -17.1275 PRESSAVG: 2272200 81.7683 -27.7172 64.4781 -27.7172 -89.7547 27.8002 64.478 27.8003 6.64562 GPRESSAVG: 2272200 82.0776 -25.6807 65.4382 -27.2434 -91.422 28.045 65.1848 26.6732 8.09865 TIMING: 2272200 CPU: 6849.92, 0.00302631/step Wall: 6849.92, 0.00302631/step, 2.2931 hours remaining, 210.937500 MB of memory in use. ENERGY: 2272200 721.3023 2055.2105 1915.5814 104.8069 -206262.7551 17692.5395 0.0000 0.0000 34313.2673 -149460.0472 299.6663 -183773.3145 -149367.3225 298.6293 -110.9464 -80.4240 558015.6724 -0.4469 -0.4152 LDB: ============= START OF LOAD BALANCING ============== 6853.44 LDB: ============== END OF LOAD BALANCING =============== 6853.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6853.44 LDB: ============= START OF LOAD BALANCING ============== 6853.74 LDB: Largest compute 4772 load 0.031588 is 26.8% of average load 0.118025 LDB: Average compute 0.001725 is 1.5% of average load 0.118025 LDB: TIME 6853.74 LOAD: AVG 0.118025 MAX 0.204069 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.566 MB LDB: TIME 6853.74 LOAD: AVG 0.118025 MAX 0.204069 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.566 MB LDB: TIME 6853.74 LOAD: AVG 0.118025 MAX 0.204069 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.566 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6853.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6853.75 PRESSURE: 2272400 -123.325 -0.182705 44.0112 -0.182811 -130.565 108.183 44.0113 108.183 -59.0349 GPRESSURE: 2272400 -71.7303 -75.5223 48.1747 -38.1803 -93.5677 171.965 -50.0614 68.3378 -57.3674 PRESSAVG: 2272400 -45.8723 -5.04455 2.544 -5.04452 67.2115 2.27929 2.54401 2.27931 16.2221 GPRESSAVG: 2272400 -45.7839 -5.12074 1.63194 -6.22418 68.5413 2.77254 2.77803 4.1249 15.5179 TIMING: 2272400 CPU: 6850.53, 0.00305772/step Wall: 6850.53, 0.00305772/step, 2.31673 hours remaining, 210.019531 MB of memory in use. ENERGY: 2272400 775.5775 2094.4235 1948.5284 124.5571 -206002.5971 17562.8230 0.0000 0.0000 34211.5408 -149285.1467 298.7779 -183496.6876 -149186.5652 298.8363 -104.3082 -74.2218 556764.4207 12.5204 12.7584 PRESSURE: 2272600 -212.774 41.1514 -108.176 41.151 -41.7022 -48.248 -108.176 -48.2497 -147.937 GPRESSURE: 2272600 -181.797 5.44637 -30.7329 32.6427 -24.911 8.96138 -147.739 -108.863 -116.398 PRESSAVG: 2272600 -6.8559 -0.72968 44.0258 -0.729798 -18.2894 -36.6659 44.0258 -36.6659 0.538729 GPRESSAVG: 2272600 -6.83723 -1.33626 44.7986 -0.534593 -18.9396 -35.3382 44.302 -37.2729 0.905671 TIMING: 2272600 CPU: 6851.13, 0.00301742/step Wall: 6851.13, 0.00301742/step, 2.28603 hours remaining, 210.085938 MB of memory in use. ENERGY: 2272600 735.7817 2045.6692 1969.5283 125.3746 -206366.8792 17827.2325 0.0000 0.0000 34407.9233 -149255.3697 300.4930 -183663.2930 -149162.8480 299.3169 -134.1380 -107.7020 557892.6732 -8.2022 -8.2904 PRESSURE: 2272800 -169.967 44.1938 -24.6562 44.1928 -194.302 120.469 -24.6566 120.47 71.9745 GPRESSURE: 2272800 -109.221 25.2544 -48.7577 53.5902 -166.912 144.821 -25.4128 115.021 91.0749 PRESSAVG: 2272800 -22.0636 -21.4674 70.5512 -21.4674 -31.2125 23.4481 70.5512 23.4482 33.8911 GPRESSAVG: 2272800 -20.9387 -21.7425 70.3815 -20.8113 -31.9382 23.3509 69.9465 22.0615 33.1346 TIMING: 2272800 CPU: 6851.74, 0.00301465/step Wall: 6851.74, 0.00301465/step, 2.28377 hours remaining, 210.085938 MB of memory in use. ENERGY: 2272800 747.6915 2063.6347 1935.3923 102.7108 -206391.6306 17780.3707 0.0000 0.0000 34512.7646 -149249.0660 301.4086 -183761.8306 -149148.9631 299.4832 -97.4315 -61.6862 556919.8066 -6.4617 -6.5807 PRESSURE: 2273000 -33.2999 52.2153 -183.178 52.2147 -124.953 -32.3889 -183.18 -32.3861 3.49935 GPRESSURE: 2273000 -42.4965 20.3562 -210.235 12.9108 -128.484 -6.36126 -224.11 -81.1227 100.369 PRESSAVG: 2273000 -18.9326 34.5958 -1.0673 34.5958 3.98378 40.0701 -1.06729 40.0701 29.1068 GPRESSAVG: 2273000 -19.7316 34.5608 -1.58499 34.4927 4.94709 37.606 -1.02543 42.5476 29.0317 TIMING: 2273000 CPU: 6852.34, 0.00302479/step Wall: 6852.34, 0.00302479/step, 2.29128 hours remaining, 210.085938 MB of memory in use. ENERGY: 2273000 726.9569 2052.5500 1928.7910 114.6819 -205764.7744 17598.8824 0.0000 0.0000 34120.5981 -149222.3142 297.9837 -183342.9124 -149130.9076 299.4198 -51.5845 -23.5373 556076.1789 4.7193 4.7490 PRESSURE: 2273200 -280.476 41.3062 102.193 41.3085 -66.0746 -34.7934 102.192 -34.7923 -101.187 GPRESSURE: 2273200 -278.642 114.836 43.9064 5.17645 -38.9331 44.8671 136.912 -33.558 -38.6127 PRESSAVG: 2273200 -49.4557 9.3908 60.148 9.39079 -39.584 -22.8283 60.148 -22.8283 54.4839 GPRESSAVG: 2273200 -48.9523 9.02339 63.5453 9.44898 -40.0519 -23.8971 60.3359 -21.6099 54.4428 TIMING: 2273200 CPU: 6852.94, 0.00301912/step Wall: 6852.94, 0.00301912/step, 2.28681 hours remaining, 210.085938 MB of memory in use. ENERGY: 2273200 761.8762 2095.8091 1935.7711 109.3155 -205671.1112 17489.2446 0.0000 0.0000 34109.4645 -149169.6301 297.8864 -183279.0947 -149078.8212 299.2033 -149.2458 -118.7293 556579.5800 -11.5186 -11.5205 PRESSURE: 2273400 297.65 52.7013 -59.7975 52.702 -47.1811 58.0843 -59.7979 58.0854 -18.8017 GPRESSURE: 2273400 319.502 73.1479 -53.1565 78.7623 -24.3654 105.741 -64.5637 18.2503 38.1426 PRESSAVG: 2273400 12.2354 31.9416 -2.31881 31.9416 -8.65206 35.6474 -2.31875 35.6474 45.6047 GPRESSAVG: 2273400 12.4124 30.9514 -5.59723 31.5539 -9.98287 36.4518 -2.55246 34.2112 46.0752 TIMING: 2273400 CPU: 6853.55, 0.00301056/step Wall: 6853.55, 0.00301056/step, 2.28016 hours remaining, 210.085938 MB of memory in use. ENERGY: 2273400 762.9370 2126.0143 1937.1036 115.0209 -206097.0730 17831.9725 0.0000 0.0000 34337.7290 -148986.2957 299.8799 -183324.0247 -148892.8190 299.6363 77.2223 111.0932 557153.7164 16.3960 16.1682 PRESSURE: 2273600 261.842 -209.954 -16.951 -209.956 155.59 -65.5217 -16.9508 -65.5215 233.752 GPRESSURE: 2273600 248.531 -121.087 -79.8806 -307.254 193.395 -106.094 -38.9711 -2.55254 296.799 PRESSAVG: 2273600 -1.27734 -9.2312 3.55384 -9.23126 -19.3808 14.4436 3.55386 14.4437 2.28895 GPRESSAVG: 2273600 -1.66384 -7.36974 5.29854 -9.79375 -17.2475 16.0522 3.318 13.7615 0.450104 TIMING: 2273600 CPU: 6854.15, 0.00299576/step Wall: 6854.15, 0.00299576/step, 2.26879 hours remaining, 210.085938 MB of memory in use. ENERGY: 2273600 745.8984 2082.6641 1922.6606 119.4018 -206539.2621 18147.4342 0.0000 0.0000 34411.4950 -149109.7080 300.5241 -183521.2030 -149009.1294 300.2774 217.0614 246.2416 557196.0746 -6.1231 -6.1537 PRESSURE: 2273800 -103.579 -131.031 -102.291 -131.032 151.165 -42.8802 -102.291 -42.879 219.865 GPRESSURE: 2273800 -32.9863 -125.496 -93.6661 -111.08 176.192 -34.7187 -77.9063 -114.593 213.521 PRESSAVG: 2273800 38.4755 17.3254 -24.6039 17.3254 53.1255 -39.2752 -24.6039 -39.2752 -22.6641 GPRESSAVG: 2273800 37.3522 16.6584 -26.8268 19.1345 52.116 -39.6026 -23.2482 -40.8166 -20.7215 TIMING: 2273800 CPU: 6854.75, 0.0030161/step Wall: 6854.75, 0.0030161/step, 2.28402 hours remaining, 210.085938 MB of memory in use. ENERGY: 2273800 714.1459 2073.5533 1936.1037 108.4997 -206232.1157 17884.4423 0.0000 0.0000 34341.3970 -149173.9736 299.9120 -183515.3706 -149070.1403 299.6971 89.1505 118.9091 559026.4900 22.9790 22.9155 PRESSURE: 2274000 66.774 43.1402 -84.0882 43.1401 154.161 -1.77777 -84.0887 -1.77746 188.619 GPRESSURE: 2274000 80.3997 33.1199 -42.9735 81.9279 156.676 16.6572 -54.574 -101.939 256.908 PRESSAVG: 2274000 -112.577 -25.3624 -35.8855 -25.3626 41.5029 -46.6845 -35.8856 -46.6844 30.9873 GPRESSAVG: 2274000 -112.386 -25.7902 -33.9461 -26.3348 41.7197 -45.7114 -37.335 -45.3724 30.37 TIMING: 2274000 CPU: 6855.35, 0.00302735/step Wall: 6855.35, 0.00302735/step, 2.29237 hours remaining, 210.085938 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: 2274000 753.4510 2075.0302 1931.0674 109.2253 -206116.9170 17909.5096 0.0000 0.0000 34164.0236 -149174.6098 298.3629 -183338.6334 -149074.4535 299.8777 136.5178 164.6610 558901.3318 -13.3622 -13.4320 PRESSURE: 2274200 63.4451 21.5332 -167.04 21.5322 -279.111 -132.163 -167.041 -132.163 -33.7938 GPRESSURE: 2274200 76.3652 -63.8102 -214.126 7.37935 -253.059 -182.407 -112.518 -139.095 15.0003 PRESSAVG: 2274200 -9.70274 -42.5347 -5.47908 -42.5347 -55.6935 -8.36687 -5.47923 -8.36691 87.6109 GPRESSAVG: 2274200 -10.079 -44.3923 -6.53721 -41.0055 -56.0203 -9.66504 -3.04635 -8.63294 88.2063 TIMING: 2274200 CPU: 6855.96, 0.00302283/step Wall: 6855.96, 0.00302283/step, 2.28879 hours remaining, 210.085938 MB of memory in use. ENERGY: 2274200 741.0614 2058.8243 1947.8461 110.1815 -205909.8714 17646.7962 0.0000 0.0000 34309.6507 -149095.5111 299.6347 -183405.1618 -149001.3627 299.2027 -83.1533 -53.8980 559339.8083 7.4049 7.3690 PRESSURE: 2274400 11.0944 4.84892 82.4259 4.8487 -46.0236 -2.09843 82.4247 -2.09862 -213.927 GPRESSURE: 2274400 71.7195 26.08 39.1753 44.7325 17.3746 -77.5331 68.3032 -59.9338 -240.946 PRESSAVG: 2274400 -30.721 20.9692 -22.6504 20.9692 -33.2893 39.6674 -22.6504 39.6675 16.4811 GPRESSAVG: 2274400 -30.912 23.9559 -23.3356 20.3102 -33.4648 39.9235 -24.2434 40.704 16.7874 TIMING: 2274400 CPU: 6856.57, 0.00304479/step Wall: 6856.57, 0.00304479/step, 2.30524 hours remaining, 210.214844 MB of memory in use. ENERGY: 2274400 699.1979 2104.4294 1933.4589 109.9712 -205650.0647 17692.5009 0.0000 0.0000 34149.3921 -148961.1142 298.2351 -183110.5063 -148858.4435 299.4202 -82.9522 -50.6173 560732.6564 -15.8431 -15.8631 PRESSURE: 2274600 125.251 49.8084 -135.855 49.809 -7.16367 -199.33 -135.855 -199.33 13.1666 GPRESSURE: 2274600 139.382 77.4058 -87.4167 71.0474 32.3135 -205.805 -116.932 -190.668 57.0065 PRESSAVG: 2274600 -11.165 -12.5697 -41.3619 -12.5697 16.1235 -24.7285 -41.362 -24.7287 36.5868 GPRESSAVG: 2274600 -9.17055 -13.4409 -39.0303 -14.4418 14.8819 -24.1835 -42.401 -26.1393 36.3716 TIMING: 2274600 CPU: 6857.18, 0.00303883/step Wall: 6857.18, 0.00303883/step, 2.30056 hours remaining, 210.214844 MB of memory in use. ENERGY: 2274600 764.9907 2107.3551 1922.5908 114.7660 -205747.1306 17843.0307 0.0000 0.0000 34344.7722 -148649.6251 299.9414 -182994.3973 -148555.0960 300.6275 43.7514 76.2339 558968.7338 13.8484 14.0277 PRESSURE: 2274800 23.5492 65.6089 -7.40184 65.608 -78.6984 127.412 -7.40288 127.413 108.796 GPRESSURE: 2274800 74.0968 -14.376 30.3451 86.1886 -36.424 158.842 11.9278 201.256 130.606 PRESSAVG: 2274800 2.31346 3.58394 -39.6892 3.58402 -2.1895 -10.0631 -39.6891 -10.0631 -24.9239 GPRESSAVG: 2274800 0.880293 2.24225 -40.7664 6.70721 -1.3869 -10.0948 -38.6771 -10.7069 -24.3864 TIMING: 2274800 CPU: 6857.78, 0.00303148/step Wall: 6857.78, 0.00303148/step, 2.29483 hours remaining, 210.214844 MB of memory in use. ENERGY: 2274800 740.2456 2044.9095 1946.8554 116.1363 -206182.7715 17992.1443 0.0000 0.0000 34649.5053 -148692.9751 302.6027 -183342.4804 -148600.3667 300.7659 17.8822 56.0929 558095.7006 -8.2667 -8.2977 PRESSURE: 2275000 216.951 -45.1613 -102.14 -45.16 -320.152 -3.25959 -102.141 -3.25855 -293.915 GPRESSURE: 2275000 239.454 -66.8726 -175.399 3.65341 -259.018 -96.2327 21.9676 42.2084 -286.958 PRESSAVG: 2275000 57.7184 -1.70859 39.2956 -1.70853 -14.2977 -18.7116 39.2957 -18.7118 -53.9247 GPRESSAVG: 2275000 56.873 -0.216824 39.3792 -4.04388 -13.5369 -21.0902 39.0247 -16.0266 -53.7129 TIMING: 2275000 CPU: 6858.39, 0.00303304/step Wall: 6858.39, 0.00303304/step, 2.29584 hours remaining, 210.214844 MB of memory in use. ENERGY: 2275000 765.2341 2058.4775 1950.7212 116.8780 -205758.1744 17561.3256 0.0000 0.0000 34505.6615 -148799.8765 301.3465 -183305.5381 -148699.6903 300.5374 -132.3720 -102.1740 558213.8492 -3.5013 -3.4590 PRESSURE: 2275200 -278.535 -96.9011 100.995 -96.9015 -67.1736 51.8589 100.995 51.8588 -88.143 GPRESSURE: 2275200 -218.023 -150.378 60.7798 -133.005 -56.8811 29.5031 210.894 44.992 -65.3769 PRESSAVG: 2275200 -14.399 -34.0171 -6.39706 -34.0172 5.92107 -16.3997 -6.39705 -16.3996 -9.62861 GPRESSAVG: 2275200 -13.7218 -32.0637 -5.73118 -33.7024 3.89906 -15.013 -7.52883 -17.9711 -8.77952 TIMING: 2275200 CPU: 6858.99, 0.00302817/step Wall: 6858.99, 0.00302817/step, 2.29199 hours remaining, 210.214844 MB of memory in use. ENERGY: 2275200 760.8193 2060.8434 1937.2544 119.4117 -205423.2135 17474.6428 0.0000 0.0000 34154.8277 -148915.4141 298.2826 -183070.2419 -148827.6732 300.0067 -144.6173 -113.4272 557301.1337 -6.0355 -6.2008 PRESSURE: 2275400 -21.0047 -84.4844 -39.2255 -84.4857 44.5488 63.2678 -39.2251 63.2676 -20.185 GPRESSURE: 2275400 -4.10936 -130.777 14.4521 -108.013 87.241 137.587 -109.754 27.5442 14.1875 PRESSAVG: 2275400 -25.1133 -7.76922 -30.8016 -7.76934 -1.06405 -31.542 -30.8015 -31.5419 26.426 GPRESSAVG: 2275400 -25.51 -9.78662 -31.0434 -7.01614 1.46549 -30.4467 -29.4486 -31.1122 23.6937 TIMING: 2275400 CPU: 6859.6, 0.0030234/step Wall: 6859.6, 0.0030234/step, 2.28821 hours remaining, 210.214844 MB of memory in use. ENERGY: 2275400 752.7922 2092.4451 1932.2168 104.8220 -206007.2092 17844.5969 0.0000 0.0000 34501.3911 -148778.9450 301.3092 -183280.3361 -148684.4741 300.0269 1.1197 32.4397 557929.1558 0.0829 -0.1169 PRESSURE: 2275600 21.0662 -8.10596 9.51258 -8.10602 -54.8076 -106.3 9.51236 -106.3 -48.9362 GPRESSURE: 2275600 45.2579 8.6179 56.766 14.4883 -29.2137 -14.5596 -15.9202 -169.331 -10.2947 PRESSAVG: 2275600 13.1402 14.4544 15.1425 14.4543 -22.5013 -40.6539 15.1425 -40.6539 -19.9946 GPRESSAVG: 2275600 12.883 13.5491 14.82 15.5237 -22.6048 -38.4772 14.8608 -42.65 -19.9744 TIMING: 2275600 CPU: 6860.21, 0.00304052/step Wall: 6860.21, 0.00304052/step, 2.301 hours remaining, 210.214844 MB of memory in use. ENERGY: 2275600 721.1907 2146.1574 1921.9876 116.0372 -205949.9452 17904.1206 0.0000 0.0000 34248.1065 -148892.3452 299.0972 -183140.4517 -148788.7249 300.2281 -27.5592 1.9165 558564.7208 -9.7852 -9.8987 PRESSURE: 2275800 -281.381 101.662 -149.364 101.662 -151.99 121.324 -149.364 121.323 73.7404 GPRESSURE: 2275800 -248.103 162.261 -178.906 68.0381 -123.523 145.924 -184.051 105.13 106.985 PRESSAVG: 2275800 -93.4461 70.4297 -8.97905 70.4297 46.9445 -27.4484 -8.97916 -27.4483 45.555 GPRESSAVG: 2275800 -93.2043 73.6364 -8.30668 69.2437 45.8912 -30.985 -8.67777 -24.3571 46.3665 TIMING: 2275800 CPU: 6860.82, 0.00305372/step Wall: 6860.82, 0.00305372/step, 2.31081 hours remaining, 210.214844 MB of memory in use. ENERGY: 2275800 757.6250 2072.4771 1911.2935 123.2784 -205846.2273 17580.9495 0.0000 0.0000 34493.7119 -148906.8920 301.2422 -183400.6039 -148812.4232 300.7809 -119.8770 -88.2133 557389.0880 -0.3155 -0.3155 PRESSURE: 2276000 -17.9218 133.754 -57.4743 133.754 71.9853 -8.43448 -57.4739 -8.43504 -103.193 GPRESSURE: 2276000 25.6125 154.949 -77.5844 189.771 14.7095 -54.7303 -20.8426 28.3066 1.4334 PRESSAVG: 2276000 -11.7475 34.6792 -6.45444 34.6792 11.0277 0.608143 -6.45429 0.608183 -4.64189 GPRESSAVG: 2276000 -11.6589 31.09 -5.92224 34.193 10.5937 1.29532 -7.72965 0.0461885 -4.40851 TIMING: 2276000 CPU: 6861.42, 0.00302896/step Wall: 6861.42, 0.00302896/step, 2.29191 hours remaining, 210.214844 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: 2276000 761.5128 2121.7841 1936.2129 103.5560 -205997.5237 17735.8144 0.0000 0.0000 34385.5114 -148953.1322 300.2972 -183338.6436 -148857.7607 300.4734 -16.3764 13.9184 556783.2453 -1.7872 -1.8246 PRESSURE: 2276200 -107.771 -94.586 -200.937 -94.585 -184.335 26.3511 -200.937 26.3513 -63.0226 GPRESSURE: 2276200 -68.6681 -58.8602 -119.524 -85.5256 -219.092 -82.704 -206.093 105.761 32.2741 PRESSAVG: 2276200 -5.22593 -6.3921 -27.9459 -6.39202 -25.2491 32.3807 -27.946 32.3807 34.8621 GPRESSAVG: 2276200 -4.35749 -5.49541 -30.7402 -5.51485 -24.7059 33.1291 -26.5433 31.6211 34.1644 TIMING: 2276200 CPU: 6862.02, 0.00300263/step Wall: 6862.02, 0.00300263/step, 2.27182 hours remaining, 210.214844 MB of memory in use. ENERGY: 2276200 736.2567 2091.8583 1930.0613 101.0749 -205739.3938 17489.5021 0.0000 0.0000 34311.8195 -149078.8210 299.6537 -183390.6405 -148978.5944 299.8239 -118.3761 -85.1619 557596.8070 1.4624 1.7003 LDB: ============= START OF LOAD BALANCING ============== 6865.54 LDB: ============== END OF LOAD BALANCING =============== 6865.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6865.54 LDB: ============= START OF LOAD BALANCING ============== 6865.85 LDB: Largest compute 4800 load 0.030932 is 26.2% of average load 0.118018 LDB: Average compute 0.001727 is 1.5% of average load 0.118018 LDB: TIME 6865.85 LOAD: AVG 0.118018 MAX 0.210757 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.258 MB LDB: TIME 6865.85 LOAD: AVG 0.118018 MAX 0.210757 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.258 MB LDB: TIME 6865.85 LOAD: AVG 0.118018 MAX 0.210757 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.258 MB LDB: ============== END OF LOAD BALANCING =============== 6865.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6865.86 PRESSURE: 2276400 -63.1376 51.0801 -124.504 51.0807 -184.466 -74.7775 -124.504 -74.7768 -90.5233 GPRESSURE: 2276400 -41.7517 103.984 -198.211 -8.63353 -117.258 -111.633 -56.9426 -31.3398 -69.4845 PRESSAVG: 2276400 3.55064 -1.63952 -57.4086 -1.63948 -41.8144 -11.7756 -57.4087 -11.7756 56.1027 GPRESSAVG: 2276400 2.76699 1.5431 -55.0427 -4.06276 -41.5636 -11.6958 -61.0993 -10.1311 56.163 TIMING: 2276400 CPU: 6862.64, 0.00309211/step Wall: 6862.64, 0.00309211/step, 2.33935 hours remaining, 210.027344 MB of memory in use. ENERGY: 2276400 747.8862 2097.9253 1919.6542 126.0052 -205502.9082 17450.8880 0.0000 0.0000 34208.8605 -148951.6888 298.7545 -183160.5494 -148851.5126 300.3178 -112.7090 -76.1646 558317.7897 5.9463 5.7888 PRESSURE: 2276600 -218.424 88.1617 -59.506 88.1626 5.93881 19.5429 -59.505 19.5417 87.5185 GPRESSURE: 2276600 -131.398 108.527 -114.775 38.1625 -35.3298 53.6042 -42.7495 -2.3857 142.149 PRESSAVG: 2276600 100.34 32.3274 -64.6708 32.3273 46.4873 63.6016 -64.6707 63.6016 -77.6964 GPRESSAVG: 2276600 99.1691 30.1368 -64.2172 32.108 47.1818 61.7831 -62.2933 65.3893 -76.8513 TIMING: 2276600 CPU: 6863.25, 0.00304314/step Wall: 6863.25, 0.00304314/step, 2.30213 hours remaining, 210.230469 MB of memory in use. ENERGY: 2276600 779.1621 2123.6961 1928.3801 109.7911 -206157.5200 17774.4903 0.0000 0.0000 34505.6514 -148936.3489 301.3464 -183442.0004 -148841.4028 300.4453 -41.6554 -8.1932 558094.0372 23.0435 23.1665 PRESSURE: 2276800 -193.048 -34.5817 26.1351 -34.5813 -85.3988 -66.3325 26.1353 -66.3307 139.191 GPRESSURE: 2276800 -135.081 -8.0351 -65.371 -66.0514 -69.3877 -86.603 68.201 -68.2295 164.249 PRESSAVG: 2276800 21.2332 31.8336 18.2802 31.8336 -38.3445 -16.4431 18.2802 -16.4431 42.7683 GPRESSAVG: 2276800 21.4295 33.1952 15.7042 33.0306 -38.3851 -16.1569 18.9677 -17.887 42.7195 TIMING: 2276800 CPU: 6863.85, 0.00301903/step Wall: 6863.85, 0.00301903/step, 2.28373 hours remaining, 210.230469 MB of memory in use. ENERGY: 2276800 732.3667 2115.9726 1953.1922 114.4642 -205953.7324 17636.8148 0.0000 0.0000 34430.1747 -148970.7471 300.6873 -183400.9219 -148872.5699 299.7076 -46.4186 -13.4065 557209.6847 8.5523 8.5880 PRESSURE: 2277000 -25.2208 150.726 100.291 150.726 181.033 -85.4417 100.289 -85.4429 101.692 GPRESSURE: 2277000 -12.223 56.5597 76.5395 183.589 264.039 27.6077 122.242 -150.812 96.1192 PRESSAVG: 2277000 -28.8937 4.03417 -38.3176 4.03423 52.415 -37.447 -38.3177 -37.447 1.43094 GPRESSAVG: 2277000 -28.4598 1.75887 -36.6311 4.39256 53.4551 -34.0017 -40.1478 -39.4492 -0.170245 TIMING: 2277000 CPU: 6864.46, 0.0030274/step Wall: 6864.46, 0.0030274/step, 2.28989 hours remaining, 210.230469 MB of memory in use. ENERGY: 2277000 741.2254 2106.3793 1911.3708 122.5058 -206028.4715 17777.0818 0.0000 0.0000 34441.8207 -148928.0878 300.7890 -183369.9085 -148820.4210 300.0433 85.8350 115.9782 556882.3220 8.3174 8.2750 PRESSURE: 2277200 -58.5802 -213.039 43.7633 -213.039 -193.479 125.652 43.765 125.652 -77.6061 GPRESSURE: 2277200 -48.2396 -152.652 53.831 -191.642 -139.896 156.31 114.724 168.015 -38.7976 PRESSAVG: 2277200 -26.3549 -39.8736 63.2522 -39.8735 20.0842 -1.324 63.2523 -1.32407 -6.01397 GPRESSAVG: 2277200 -26.0179 -38.5931 63.1535 -39.5197 18.6696 -3.38414 65.115 0.350356 -5.04326 TIMING: 2277200 CPU: 6865.06, 0.00299891/step Wall: 6865.06, 0.00299891/step, 2.26818 hours remaining, 210.230469 MB of memory in use. ENERGY: 2277200 814.4515 2091.7916 1923.2484 107.7244 -205561.8607 17490.3162 0.0000 0.0000 34222.4853 -148911.8434 298.8735 -183134.3287 -148820.6415 300.5701 -109.8885 -75.6444 558402.2903 -4.0949 -4.1305 PRESSURE: 2277400 -348.648 -87.1164 -71.8326 -87.1159 -37.7446 -54.5857 -71.8327 -54.5851 -172.496 GPRESSURE: 2277400 -326.345 -9.67435 -110.294 -126.936 31.8196 -121.673 -24.8305 -76.2081 -168.165 PRESSAVG: 2277400 -16.2534 -15.8935 2.90107 -15.8936 25.4293 -13.9434 2.90104 -13.9434 -38.6932 GPRESSAVG: 2277400 -16.4898 -17.5287 2.02286 -16.2808 26.0499 -14.3028 4.10517 -11.8294 -39.9629 TIMING: 2277400 CPU: 6865.66, 0.00298918/step Wall: 6865.66, 0.00298918/step, 2.26065 hours remaining, 210.230469 MB of memory in use. ENERGY: 2277400 779.4229 2066.2200 1901.9647 123.7942 -205994.8235 17706.7490 0.0000 0.0000 34421.9376 -148994.7352 300.6153 -183416.6728 -148896.9162 300.3263 -186.2963 -154.2301 557506.6743 -9.8391 -10.1343 PRESSURE: 2277600 130.57 34.3973 -51.3539 34.3967 -59.621 61.51 -51.3553 61.5115 -147.92 GPRESSURE: 2277600 154.139 16.5879 -88.5546 102.197 -56.5831 93.5873 -27.9715 58.4962 -72.8899 PRESSAVG: 2277600 16.2603 14.9039 -63.833 14.9038 8.08261 -34.9069 -63.8329 -34.9069 -5.30644 GPRESSAVG: 2277600 16.2063 15.52 -61.4034 13.8666 7.5674 -34.5636 -65.7129 -38.5806 -4.84023 TIMING: 2277600 CPU: 6866.25, 0.00297293/step Wall: 6866.25, 0.00297293/step, 2.2482 hours remaining, 210.492188 MB of memory in use. ENERGY: 2277600 752.5212 2126.7877 1938.9784 113.4059 -206322.5058 17994.1875 0.0000 0.0000 34458.4368 -148938.1885 300.9341 -183396.6252 -148846.1056 300.4660 -25.6570 8.2220 559597.3366 6.3455 6.3112 PRESSURE: 2277800 19.9394 -74.6053 5.67431 -74.6043 23.321 30.4972 5.67292 30.4976 -128.445 GPRESSURE: 2277800 -23.0545 -153.399 91.9966 -13.2276 84.4131 -39.9281 -77.1251 1.11277 -58.0452 PRESSAVG: 2277800 98.2012 4.17889 -25.6854 4.17899 -35.8571 45.0157 -25.6853 45.0157 -55.0735 GPRESSAVG: 2277800 97.5929 6.34605 -26.513 2.87031 -36.2652 45.3188 -25.9865 45.7479 -54.2888 TIMING: 2277800 CPU: 6866.85, 0.00299303/step Wall: 6866.85, 0.00299303/step, 2.26323 hours remaining, 210.492188 MB of memory in use. ENERGY: 2277800 765.7993 2138.0289 1926.5988 111.0502 -206188.0130 17904.1211 0.0000 0.0000 34238.8565 -149103.5583 299.0164 -183342.4147 -149001.3160 300.2772 -28.3948 1.1045 559463.3020 2.4235 2.3463 PRESSURE: 2278000 -297.783 -31.4847 -9.42463 -31.4848 -141.959 137.749 -9.42432 137.75 -2.42642 GPRESSURE: 2278000 -281.854 -41.4102 2.1575 -108.714 -77.7482 110.33 -9.20486 135.244 20.0238 PRESSAVG: 2278000 -12.7291 -18.5814 21.7911 -18.5815 2.65131 34.0402 21.7911 34.0401 10.5394 GPRESSAVG: 2278000 -12.7858 -19.2562 20.1058 -17.6309 3.30915 35.7026 22.1805 33.865 10.7936 TIMING: 2278000 CPU: 6867.45, 0.0030034/step Wall: 6867.45, 0.0030034/step, 2.2709 hours remaining, 210.492188 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: 2278000 751.7823 2054.7073 1891.9754 114.3986 -205915.6612 17710.0045 0.0000 0.0000 34344.9353 -149047.8577 299.9429 -183392.7930 -148947.1360 299.4533 -147.3894 -113.1927 559905.5704 0.1538 0.4390 PRESSURE: 2278200 -189.242 81.9001 -13.4787 81.9008 147.006 98.0861 -13.4783 98.0848 47.3222 GPRESSURE: 2278200 -205.215 153.201 -32.1667 79.8817 179.312 107.598 25.9488 111.14 112.934 PRESSAVG: 2278200 -31.9851 -4.0062 -2.60342 -4.00624 11.5588 -12.8352 -2.60342 -12.8351 12.9943 GPRESSAVG: 2278200 -30.8698 -4.92128 -1.85821 -3.76922 11.5823 -15.4197 -2.74388 -12.1861 12.3356 TIMING: 2278200 CPU: 6868.06, 0.00303155/step Wall: 6868.06, 0.00303155/step, 2.29202 hours remaining, 210.492188 MB of memory in use. ENERGY: 2278200 734.2360 2125.6597 1902.5647 110.6072 -205969.7662 17772.4885 0.0000 0.0000 34292.1694 -149032.0406 299.4820 -183324.2101 -148932.3517 299.6878 1.6953 29.0104 558175.2529 -2.4773 -2.3173 PRESSURE: 2278400 -22.6242 52.0596 147.178 52.0595 -241.221 -104.844 147.178 -104.843 -86.3167 GPRESSURE: 2278400 83.8351 80.0118 111.559 39.615 -212.408 -151.414 138.632 -84.8361 -131.021 PRESSAVG: 2278400 29.4179 9.78676 49.068 9.78683 -34.2684 -16.2043 49.068 -16.2043 23.0872 GPRESSAVG: 2278400 29.121 10.9733 49.1594 10.2008 -33.7239 -13.2109 47.9368 -17.1525 23.1453 TIMING: 2278400 CPU: 6868.66, 0.00299305/step Wall: 6868.66, 0.00299305/step, 2.26274 hours remaining, 210.492188 MB of memory in use. ENERGY: 2278400 757.4302 2130.3405 1933.8487 112.4165 -205779.4847 17487.7413 0.0000 0.0000 34342.2766 -149015.4309 299.9196 -183357.7074 -148922.7394 300.3541 -116.7208 -86.5311 558295.7627 6.0789 6.1808 PRESSURE: 2278600 -127.618 -37.9584 24.7711 -37.9593 -29.8835 -105.387 24.7699 -105.388 251.887 GPRESSURE: 2278600 -105.543 -73.6201 -43.7895 -39.7249 3.97368 -12.0299 92.5697 -64.5889 284.283 PRESSAVG: 2278600 -32.4015 15.8022 36.1132 15.8023 -2.99811 -50.6053 36.1131 -50.6053 22.1166 GPRESSAVG: 2278600 -32.5919 14.7175 36.9986 16.092 -3.94373 -53.6733 37.0441 -46.2269 23.5583 TIMING: 2278600 CPU: 6869.26, 0.00300397/step Wall: 6869.26, 0.00300397/step, 2.27083 hours remaining, 210.492188 MB of memory in use. ENERGY: 2278600 779.4765 2132.4682 1918.2633 110.6574 -205916.7672 17774.5514 0.0000 0.0000 34257.3542 -148943.9962 299.1780 -183201.3504 -148847.2231 300.1308 31.4616 60.9043 557472.5519 -4.4277 -4.3258 PRESSURE: 2278800 -255.067 24.502 -55.5399 24.5011 -156.891 -140.82 -55.5397 -140.82 -196.547 GPRESSURE: 2278800 -174.568 -12.688 -27.5771 2.27015 -189.19 -89.2017 -29.0235 -207.957 -147.187 PRESSAVG: 2278800 -11.6961 -26.3216 -36.6237 -26.3216 45.7994 0.853204 -36.6236 0.853246 -11.6385 GPRESSAVG: 2278800 -11.1328 -25.0486 -38.4525 -26.8525 46.3734 2.68698 -37.3683 -3.7534 -12.525 TIMING: 2278800 CPU: 6869.86, 0.00302059/step Wall: 6869.86, 0.00302059/step, 2.28323 hours remaining, 210.492188 MB of memory in use. ENERGY: 2278800 761.3743 2094.9622 1913.1634 112.2682 -205948.5006 17582.9586 0.0000 0.0000 34519.4003 -148964.3736 301.4665 -183483.7739 -148861.2391 299.7171 -202.8351 -170.3152 556940.2223 7.4883 7.5719 PRESSURE: 2279000 184.063 14.313 -91.246 14.3124 -71.7692 3.02192 -91.2455 3.02199 -143.862 GPRESSURE: 2279000 170.489 10.5873 -154.461 -68.4767 -15.4315 145.229 -54.9665 19.0894 -97.2218 PRESSAVG: 2279000 32.4621 -35.5471 -31.2002 -35.5472 -27.9376 -6.08504 -31.2001 -6.08496 23.2875 GPRESSAVG: 2279000 33.677 -35.324 -31.0683 -37.0366 -28.8211 -8.02177 -31.9659 -3.70629 22.6146 TIMING: 2279000 CPU: 6870.47, 0.00304648/step Wall: 6870.47, 0.00304648/step, 2.30263 hours remaining, 210.492188 MB of memory in use. ENERGY: 2279000 708.6932 2131.8072 1921.2255 119.7493 -205866.6533 17743.7081 0.0000 0.0000 34411.8375 -148829.6325 300.5271 -183241.4700 -148735.8556 299.8577 -10.5228 19.2785 558945.6528 9.2707 9.1568 PRESSURE: 2279200 -63.9131 -25.7593 36.2996 -25.759 90.7786 46.735 36.2985 46.7352 -316.046 GPRESSURE: 2279200 -58.8858 -38.6349 61.2597 19.2229 159.511 56.8042 9.73476 19.8544 -281.776 PRESSAVG: 2279200 24.4831 -29.4493 -25.6753 -29.4493 26.6629 4.47765 -25.6753 4.47758 -115.653 GPRESSAVG: 2279200 23.1156 -31.1627 -24.1189 -27.3745 27.7604 5.57218 -25.4122 2.2878 -115.277 TIMING: 2279200 CPU: 6871.08, 0.00303787/step Wall: 6871.08, 0.00303787/step, 2.29595 hours remaining, 210.492188 MB of memory in use. ENERGY: 2279200 757.3841 2052.8232 1928.0459 121.2661 -205928.2426 17715.5108 0.0000 0.0000 34286.3626 -149066.8500 299.4313 -183353.2126 -148977.2770 299.7502 -96.3936 -60.3837 557497.6292 -21.5025 -21.4670 PRESSURE: 2279400 -160.2 -3.47524 -153.787 -3.47465 -118.622 76.4699 -153.786 76.4684 68.353 GPRESSURE: 2279400 -93.759 1.27272 -123.536 0.786191 -92.9909 50.8273 -126.897 72.4196 65.5682 PRESSAVG: 2279400 25.481 -25.5249 9.78233 -25.525 -35.7295 -31.5377 9.78232 -31.5377 1.07764 GPRESSAVG: 2279400 26.437 -23.557 9.69096 -27.3601 -35.736 -30.7235 9.57048 -32.0959 -0.185046 TIMING: 2279400 CPU: 6871.69, 0.00303375/step Wall: 6871.69, 0.00303375/step, 2.29267 hours remaining, 210.492188 MB of memory in use. ENERGY: 2279400 741.6809 2064.2202 1899.0402 115.5693 -206166.9322 17755.5667 0.0000 0.0000 34507.1505 -149083.7044 301.3595 -183590.8548 -148989.4841 299.9385 -70.1562 -40.3939 558681.1192 -3.0569 -3.1613 PRESSURE: 2279600 -155.199 26.3974 -12.6558 26.3975 -328.265 8.93037 -12.6562 8.93015 -79.4898 GPRESSURE: 2279600 -130.628 10.7197 -4.69281 43.2436 -282.298 36.0449 47.9759 -41.6914 -43.9322 PRESSAVG: 2279600 -34.9824 -44.7931 -0.192388 -44.7931 -64.4796 -64.6153 -0.192616 -64.6152 76.3753 GPRESSAVG: 2279600 -33.9853 -45.854 -0.414891 -43.3332 -65.8789 -67.1353 -0.0677599 -62.824 78.0714 TIMING: 2279600 CPU: 6872.3, 0.00305021/step Wall: 6872.3, 0.00305021/step, 2.30494 hours remaining, 210.492188 MB of memory in use. ENERGY: 2279600 744.8844 2116.4361 1921.7115 129.8427 -205728.2927 17532.0042 0.0000 0.0000 34168.7330 -149114.6809 298.4040 -183283.4139 -149014.5663 299.0566 -187.6514 -152.2861 558894.2364 -7.6956 -7.2643 PRESSURE: 2279800 -287.042 -169.099 -147.127 -169.099 -215.119 -27.8328 -147.127 -27.8325 -226.506 GPRESSURE: 2279800 -272.589 -73.0085 -182.412 -214.829 -207.233 48.0983 -123.559 -63.0686 -147.324 PRESSAVG: 2279800 -19.9152 -33.4478 18.6658 -33.4478 -23.3668 43.4308 18.6658 43.4309 52.3056 GPRESSAVG: 2279800 -20.9852 -34.1267 16.5414 -33.2313 -21.8747 42.413 20.0107 45.2528 51.76 TIMING: 2279800 CPU: 6872.91, 0.00304856/step Wall: 6872.91, 0.00304856/step, 2.30353 hours remaining, 210.492188 MB of memory in use. ENERGY: 2279800 737.5517 2107.3125 1951.2819 109.6424 -205668.6945 17296.5148 0.0000 0.0000 34218.1128 -149248.2785 298.8353 -183466.3912 -149150.5951 298.7402 -242.8887 -209.0487 558759.2969 3.0079 2.9667 PRESSURE: 2280000 12.264 -118.195 -56.3912 -118.195 83.7803 -1.56629 -56.3915 -1.56471 255.226 GPRESSURE: 2280000 48.3588 -123.378 -86.5691 -49.0631 138.147 54.4228 -7.43203 -33.6653 260.039 PRESSAVG: 2280000 -2.09636 -26.5338 0.246673 -26.5339 -39.4031 40.7496 0.246622 40.7496 29.3313 GPRESSAVG: 2280000 -2.01529 -25.1222 1.76994 -28.6205 -38.6032 43.9447 0.913845 38.2533 28.7479 TIMING: 2280000 CPU: 6873.51, 0.00304432/step Wall: 6873.51, 0.00304432/step, 2.30016 hours remaining, 210.492188 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: 2280000 746.8222 2059.1398 1926.8776 121.1481 -206169.6702 18050.1330 0.0000 0.0000 34027.7851 -149237.7645 297.1731 -183265.5496 -149141.8858 299.1992 117.0902 148.8483 557332.2550 -4.0561 -3.9569 PRESSURE: 2280200 -247.739 -13.5657 -9.18227 -13.5655 -135.697 -32.7212 -9.18128 -32.7219 -73.6589 GPRESSURE: 2280200 -195.06 -11.2475 -45.1022 -20.5659 -93.175 -117.89 -20.6022 81.4789 -86.2626 PRESSAVG: 2280200 69.8276 -11.9061 -21.6832 -11.9061 -50.2538 -39.4796 -21.6832 -39.4795 -15.9584 GPRESSAVG: 2280200 70.374 -13.7156 -20.7042 -10.806 -51.7994 -41.548 -23.1664 -40.4582 -14.9154 TIMING: 2280200 CPU: 6874.12, 0.0030418/step Wall: 6874.12, 0.0030418/step, 2.29808 hours remaining, 210.492188 MB of memory in use. ENERGY: 2280200 776.3478 2106.7085 1917.1435 117.2005 -206283.6286 17893.6132 0.0000 0.0000 34128.5303 -149344.0849 298.0529 -183472.6151 -149256.4091 298.8656 -152.3648 -124.8326 558329.3056 1.2051 1.2198 LDB: ============= START OF LOAD BALANCING ============== 6877.64 LDB: ============== END OF LOAD BALANCING =============== 6877.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6877.64 LDB: ============= START OF LOAD BALANCING ============== 6877.94 LDB: Largest compute 4772 load 0.030927 is 26.2% of average load 0.118028 LDB: Average compute 0.001725 is 1.5% of average load 0.118028 LDB: TIME 6877.95 LOAD: AVG 0.118028 MAX 0.207057 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.188 MB LDB: TIME 6877.95 LOAD: AVG 0.118028 MAX 0.207057 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.188 MB LDB: TIME 6877.95 LOAD: AVG 0.118028 MAX 0.207057 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.188 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6877.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 6877.95 Info: useSync: 0 useProxySync: 0 PRESSURE: 2280400 -39.8223 -168.539 56.8198 -168.539 -94.7699 -46.5329 56.8182 -46.533 -187.016 GPRESSURE: 2280400 -49.011 -157.805 19.4999 -204.522 -70.7987 8.126 126.774 16.596 -107.098 PRESSAVG: 2280400 9.30582 -50.0396 50.1224 -50.0396 37.3412 -22.6206 50.1224 -22.6205 -92.3911 GPRESSAVG: 2280400 8.86415 -49.1093 49.4225 -49.8729 37.7314 -22.8232 51.155 -20.8974 -92.5759 TIMING: 2280400 CPU: 6874.74, 0.00307057/step Wall: 6874.74, 0.00307057/step, 2.31965 hours remaining, 209.125000 MB of memory in use. ENERGY: 2280400 749.8288 2076.4654 1951.7343 98.6704 -205999.3142 17586.3269 0.0000 0.0000 34175.7884 -149360.5000 298.4657 -183536.2884 -149267.0661 298.5771 -107.2029 -75.6361 557391.2989 -15.2480 -15.3268 PRESSURE: 2280600 109.88 -100.053 -109.452 -100.053 203.173 -123.006 -109.451 -123.005 -63.5615 GPRESSURE: 2280600 148.958 -119.64 -199.896 -106.4 250.446 -108.432 -0.600862 -93.5343 -61.8814 PRESSAVG: 2280600 78.243 -29.5392 -35.5403 -29.5393 -12.5913 -15.4324 -35.5403 -15.4323 -31.4019 GPRESSAVG: 2280600 79.7174 -29.3586 -36.342 -30.2746 -13.1257 -12.5219 -35.4704 -16.0617 -32.5659 TIMING: 2280600 CPU: 6875.34, 0.00302783/step Wall: 6875.34, 0.00302783/step, 2.28719 hours remaining, 209.585938 MB of memory in use. ENERGY: 2280600 749.4733 2044.5443 1920.7502 128.2637 -205989.4482 17867.6047 0.0000 0.0000 34106.6084 -149172.2035 297.8615 -183278.8119 -149082.1849 298.9751 83.1638 112.5076 558112.9955 11.4166 11.3419 PRESSURE: 2280800 -4.75199 -79.4185 -21.8742 -79.42 -20.4581 77.1371 -21.8744 77.1385 -183.328 GPRESSURE: 2280800 15.1708 -43.5157 -29.626 -108.887 24.1785 39.8668 -46.3074 83.722 -147.129 PRESSAVG: 2280800 -6.32052 -19.4642 -9.17896 -19.4642 17.0445 -6.70521 -9.17896 -6.70529 29.1507 GPRESSAVG: 2280800 -7.62687 -19.2025 -8.39265 -17.2255 18.1142 -9.02935 -11.1067 -4.97495 30.1524 TIMING: 2280800 CPU: 6875.95, 0.00301887/step Wall: 6875.95, 0.00301887/step, 2.28026 hours remaining, 209.656250 MB of memory in use. ENERGY: 2280800 739.4198 2154.0093 1911.1480 120.3207 -205802.0826 17759.2466 0.0000 0.0000 34133.5068 -148984.4314 298.0964 -183117.9382 -148893.2691 300.2185 -69.5128 -35.9265 559344.5690 13.2916 13.5466 PRESSURE: 2281000 -125.01 -135.663 25.3143 -135.663 -24.5101 48.1819 25.3152 48.1837 -235.442 GPRESSURE: 2281000 -112.637 -148.757 11.7396 -168.55 11.5138 14.3428 -5.71465 31.0728 -187.19 PRESSAVG: 2281000 -14.3992 -43.2439 1.55391 -43.2438 5.90831 -38.1121 1.55389 -38.1121 5.3826 GPRESSAVG: 2281000 -14.3429 -45.3637 0.137752 -41.6545 5.88885 -34.9615 2.46673 -41.6579 5.92079 TIMING: 2281000 CPU: 6876.55, 0.00301959/step Wall: 6876.55, 0.00301959/step, 2.28063 hours remaining, 209.656250 MB of memory in use. ENERGY: 2281000 766.8902 2130.1476 1928.1454 113.2055 -205695.6337 17578.7590 0.0000 0.0000 34128.4914 -149049.9946 298.0526 -183178.4860 -148951.4823 299.4012 -128.3208 -96.1044 558397.0661 -1.0361 -0.8444 PRESSURE: 2281200 -108.117 -20.7362 4.92633 -20.7363 -61.2251 6.30316 4.92664 6.3032 -96.9178 GPRESSURE: 2281200 -68.0417 -75.4925 -35.7563 -25.5141 -30.4514 47.3592 57.597 -86.8674 -71.2848 PRESSAVG: 2281200 -15.1181 -60.8513 -9.27475 -60.8513 30.9779 -38.2892 -9.27483 -38.2891 -9.56269 GPRESSAVG: 2281200 -15.3959 -59.4138 -8.89287 -64.6708 32.009 -39.5723 -9.93992 -37.1158 -10.6354 TIMING: 2281200 CPU: 6877.15, 0.00299353/step Wall: 6877.15, 0.00299353/step, 2.26078 hours remaining, 209.656250 MB of memory in use. ENERGY: 2281200 765.8699 2129.7786 1888.9761 108.1900 -206097.1182 17751.5941 0.0000 0.0000 34374.6111 -149078.0985 300.2020 -183452.7095 -148987.6550 299.1700 -88.7532 -56.5926 559786.4884 2.0990 1.9925 PRESSURE: 2281400 -295.524 -46.0674 66.5366 -46.0678 -169.83 70.3573 66.5363 70.3568 -121.456 GPRESSURE: 2281400 -269.944 -16.7624 87.3235 36.0337 -162.411 -16.7926 60.7597 46.9848 -53.3378 PRESSAVG: 2281400 11.6905 -34.0605 -34.1938 -34.0605 -17.3307 -21.7902 -34.1938 -21.7903 10.1678 GPRESSAVG: 2281400 11.7942 -33.5243 -33.9761 -32.8828 -19.0479 -22.1309 -35.364 -22.5973 11.9899 TIMING: 2281400 CPU: 6877.74, 0.00298292/step Wall: 6877.74, 0.00298292/step, 2.2526 hours remaining, 209.656250 MB of memory in use. ENERGY: 2281400 747.9456 2108.5215 1931.3542 113.4969 -205847.3715 17502.1671 0.0000 0.0000 34491.0762 -148952.8099 301.2191 -183443.8861 -148853.8536 300.3745 -195.6034 -161.8974 558077.2519 1.5092 1.5787 PRESSURE: 2281600 318.151 -84.412 -0.29591 -84.4127 -41.284 15.4964 -0.296177 15.4963 13.2221 GPRESSURE: 2281600 363.101 -80.4736 20.0764 38.4002 -49.297 42.6395 -24.9145 11.166 79.0431 PRESSAVG: 2281600 28.5437 -5.62189 18.2346 -5.62185 13.9559 1.48944 18.2348 1.48953 -58.9625 GPRESSAVG: 2281600 28.5348 -4.58224 19.2261 -5.54844 15.8189 0.995668 18.6367 3.16588 -60.7507 TIMING: 2281600 CPU: 6878.35, 0.00301434/step Wall: 6878.35, 0.00301434/step, 2.27616 hours remaining, 209.656250 MB of memory in use. ENERGY: 2281600 762.8666 2116.3166 1939.5246 119.7683 -206368.9140 18057.9918 0.0000 0.0000 34246.9653 -149125.4807 299.0873 -183372.4460 -149028.1402 300.3220 96.6964 130.9491 557560.4111 -5.4877 -5.4657 PRESSURE: 2281800 -146.761 51.0489 94.8049 51.0476 -366.898 -149.53 94.8058 -149.528 -420.779 GPRESSURE: 2281800 -119.643 55.6137 -14.1871 -60.008 -351.022 -197.131 203.143 -117.909 -366.939 PRESSAVG: 2281800 -9.83482 0.5881 0.819421 0.587985 44.6221 10.0631 0.819559 10.0631 -19.3707 GPRESSAVG: 2281800 -9.38044 -2.42011 -0.443221 1.27313 43.1456 11.3032 1.09511 9.09201 -18.3111 TIMING: 2281800 CPU: 6878.95, 0.00302873/step Wall: 6878.95, 0.00302873/step, 2.28686 hours remaining, 209.656250 MB of memory in use. ENERGY: 2281800 757.9447 2097.6521 1939.9884 113.0813 -205386.6558 17289.7496 0.0000 0.0000 34223.2074 -148965.0323 298.8798 -183188.2397 -148870.0394 300.5729 -311.4793 -279.2015 558410.6297 5.1389 5.1514 PRESSURE: 2282000 -161.749 -110.851 -69.4186 -110.851 -6.64633 -117.852 -69.4188 -117.852 -71.7673 GPRESSURE: 2282000 -84.6565 -93.276 -61.3814 -87.2351 11.7975 -175.903 -102.283 -12.4448 -78.795 PRESSAVG: 2282000 -19.3673 -51.679 -61.4109 -51.679 -8.1059 -21.4608 -61.4109 -21.4608 8.33696 GPRESSAVG: 2282000 -19.6256 -49.2056 -62.1926 -52.0068 -6.59585 -21.4646 -60.7274 -20.3915 7.05743 TIMING: 2282000 CPU: 6879.55, 0.00298545/step Wall: 6879.55, 0.00298545/step, 2.25402 hours remaining, 209.656250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2282000 734.8286 2158.6815 1935.6229 113.8194 -205802.9375 17640.1561 0.0000 0.0000 34509.6513 -148710.1777 301.3814 -183219.8290 -148612.0469 300.0234 -80.0543 -50.5513 558758.2376 -6.3787 -6.3880 PRESSURE: 2282200 -133.701 47.2848 74.6688 47.2836 -316.324 -10.8968 74.6681 -10.896 -21.1928 GPRESSURE: 2282200 -102.872 25.4927 37.6223 -49.0287 -301.925 -29.2863 81.4328 -81.614 29.7347 PRESSAVG: 2282200 21.3562 -7.34418 4.1449 -7.34419 -12.3817 -30.09 4.14486 -30.09 -37.177 GPRESSAVG: 2282200 21.768 -9.58116 3.36069 -6.69922 -13.9072 -29.8982 5.92978 -29.4898 -36.0166 TIMING: 2282200 CPU: 6880.15, 0.0029991/step Wall: 6880.15, 0.0029991/step, 2.26415 hours remaining, 209.656250 MB of memory in use. ENERGY: 2282200 737.8384 2107.5737 1955.0950 118.6159 -205625.6844 17603.5891 0.0000 0.0000 34257.2902 -148845.6821 299.1774 -183102.9723 -148748.3820 300.7447 -157.0728 -125.0208 559940.6849 -9.4008 -9.3853 PRESSURE: 2282400 194.802 100.202 12.5099 100.201 87.4901 -7.90321 12.5105 -7.90445 -44.3698 GPRESSURE: 2282400 204.223 72.7846 28.3656 122.476 105.761 35.3443 1.96428 -92.5762 29.9041 PRESSAVG: 2282400 26.3076 19.087 -65.1276 19.0869 -20.5274 7.72497 -65.1275 7.72509 -10.32 GPRESSAVG: 2282400 26.6071 21.181 -64.5767 16.3823 -20.5794 5.37278 -66.7464 6.54828 -10.6252 TIMING: 2282400 CPU: 6880.76, 0.00302996/step Wall: 6880.76, 0.00302996/step, 2.28728 hours remaining, 209.656250 MB of memory in use. ENERGY: 2282400 713.9855 2112.5258 1924.8565 105.2466 -206139.2709 17996.4797 0.0000 0.0000 34404.8538 -148881.3231 300.4661 -183286.1769 -148787.0001 300.0619 79.3076 113.2961 559116.6936 -1.5133 -1.5325 PRESSURE: 2282600 0.543254 -7.06091 16.5496 -7.06098 249.605 36.957 16.5488 36.9558 -27.1753 GPRESSURE: 2282600 64.946 -16.5804 3.05118 2.85565 259.909 8.98013 -5.62261 59.6601 5.25087 PRESSAVG: 2282600 27.9554 18.539 -45.4586 18.5389 20.6921 19.0022 -45.4586 19.0022 -50.7246 GPRESSAVG: 2282600 28.4351 16.1033 -41.8448 19.0742 19.7226 20.4895 -47.1328 19.6842 -50.1308 TIMING: 2282600 CPU: 6881.36, 0.00301371/step Wall: 6881.36, 0.00301371/step, 2.27485 hours remaining, 209.656250 MB of memory in use. ENERGY: 2282600 732.1859 2041.0279 1939.1608 105.4515 -205962.4148 17783.6848 0.0000 0.0000 34479.5695 -148881.3344 301.1187 -183360.9039 -148782.6522 299.6969 74.3245 110.0353 559055.0142 -0.6924 -0.6577 PRESSURE: 2282800 -45.8848 62.3895 -97.0679 62.3896 -364.094 108.404 -97.0678 108.403 14.0043 GPRESSURE: 2282800 -56.8287 50.4507 -118.281 53.7832 -309.26 197.631 -146.766 42.0481 64.8952 PRESSAVG: 2282800 -23.4029 23.1801 -22.478 23.1802 -13.2587 6.31629 -22.478 6.31628 11.8772 GPRESSAVG: 2282800 -24.1498 24.1653 -23.92 23.6367 -12.5313 5.73434 -18.0786 6.16576 11.7764 TIMING: 2282800 CPU: 6881.96, 0.00302738/step Wall: 6881.96, 0.00302738/step, 2.285 hours remaining, 209.656250 MB of memory in use. ENERGY: 2282800 783.4958 2063.9896 1911.1376 106.8885 -205662.4996 17644.4620 0.0000 0.0000 34445.0061 -148707.5200 300.8168 -183152.5261 -148610.8156 300.2135 -131.9915 -100.3980 558972.2213 -8.2614 -8.3016 PRESSURE: 2283000 -130.709 -18.499 6.14671 -18.4998 -69.3798 174.271 6.14866 174.27 -291.481 GPRESSURE: 2283000 -101.956 26.2304 -74.0453 8.94417 -59.3342 202.097 24.03 164.388 -233.322 PRESSAVG: 2283000 42.5236 36.5379 -12.4088 36.538 14.2751 40.522 -12.4087 40.5221 -52.7508 GPRESSAVG: 2283000 43.0719 34.8411 -13.6825 39.1778 13.3536 42.6459 -14.0529 39.3635 -52.4098 TIMING: 2283000 CPU: 6882.57, 0.00302992/step Wall: 6882.57, 0.00302992/step, 2.28675 hours remaining, 209.656250 MB of memory in use. ENERGY: 2283000 810.2569 2041.0865 1910.9110 119.5058 -205736.6370 17655.5728 0.0000 0.0000 34442.8000 -148756.5040 300.7975 -183199.3040 -148656.6279 300.3577 -163.8567 -131.5375 559704.1702 1.3493 1.3386 PRESSURE: 2283200 36.9922 79.995 46.0034 79.995 135.536 199.36 46.0036 199.361 -248.803 GPRESSURE: 2283200 135.737 59.1916 -29.3057 243.245 123.084 274.667 137.428 121.525 -246.221 PRESSAVG: 2283200 92.3301 6.00577 20.6599 6.00576 -44.7628 9.65459 20.6599 9.65441 -57.9873 GPRESSAVG: 2283200 91.8374 6.04599 23.0595 5.72947 -43.7553 9.06122 19.3289 9.28938 -58.0808 TIMING: 2283200 CPU: 6883.17, 0.0029808/step Wall: 6883.17, 0.0029808/step, 2.24951 hours remaining, 209.656250 MB of memory in use. ENERGY: 2283200 765.3894 2111.5460 1934.2652 120.4711 -205449.5323 17543.4735 0.0000 0.0000 34118.0053 -148856.3818 297.9610 -182974.3871 -148757.5425 300.2549 -25.4249 4.2001 557350.0787 -3.4733 -3.3329 PRESSURE: 2283400 -57.1584 136.076 228.164 136.078 -23.7525 118.935 228.164 118.936 97.871 GPRESSURE: 2283400 31.175 135.727 273.041 53.3736 6.77101 68.9722 130.002 147.349 74.0916 PRESSAVG: 2283400 16.4673 58.3326 24.6296 58.3327 49.5593 -8.59818 24.6296 -8.59808 -23.7754 GPRESSAVG: 2283400 17.2174 61.3716 24.048 55.0068 49.8843 -9.89298 23.6713 -7.54826 -24.6385 TIMING: 2283400 CPU: 6883.76, 0.00297683/step Wall: 6883.76, 0.00297683/step, 2.24635 hours remaining, 209.656250 MB of memory in use. ENERGY: 2283400 761.7080 2105.3760 1968.5845 121.5808 -205930.3741 17836.5252 0.0000 0.0000 34267.2966 -148869.3029 299.2648 -183136.5996 -148776.5249 299.6145 5.6534 37.3459 557004.1623 14.0837 14.1544 PRESSURE: 2283600 -30.6178 -73.1599 -232.836 -73.1616 -139.786 1.43034 -232.835 1.43149 84.167 GPRESSURE: 2283600 18.0366 -135.152 -178.891 28.2475 -116.233 15.1416 -266.093 38.7905 96.7312 PRESSAVG: 2283600 -43.9953 -30.4059 0.964578 -30.4059 74.9757 67.3035 0.964559 67.3035 18.9832 GPRESSAVG: 2283600 -45.1696 -31.8393 2.07387 -27.4641 76.9961 68.523 1.75509 65.8595 18.5519 TIMING: 2283600 CPU: 6884.37, 0.00301831/step Wall: 6884.37, 0.00301831/step, 2.27748 hours remaining, 209.656250 MB of memory in use. ENERGY: 2283600 743.2980 2078.8610 1938.3272 130.5708 -205612.4645 17614.8993 0.0000 0.0000 34341.7524 -148764.7560 299.9151 -183106.5084 -148664.3833 300.1386 -28.7457 -0.4885 558498.8720 16.6545 16.7928 PRESSURE: 2283800 -71.9339 -102.412 -60.5698 -102.413 -5.13061 -21.6992 -60.5706 -21.6985 -267.885 GPRESSURE: 2283800 -36.5769 -83.7 -115.032 -155.737 -7.17635 84.9392 -18.2302 3.23621 -194.04 PRESSAVG: 2283800 -25.3648 -11.4035 -25.4678 -11.4035 36.1096 9.91715 -25.4677 9.91715 -38.5287 GPRESSAVG: 2283800 -23.6183 -13.3907 -28.3027 -11.6232 32.4191 8.25791 -25.1224 11.8352 -36.4031 TIMING: 2283800 CPU: 6884.97, 0.00300136/step Wall: 6884.97, 0.00300136/step, 2.26453 hours remaining, 209.656250 MB of memory in use. ENERGY: 2283800 777.1923 2072.4107 1931.0270 133.7465 -205782.0575 17715.1892 0.0000 0.0000 34269.7225 -148882.7693 299.2860 -183152.4918 -148779.6131 299.6631 -114.9831 -79.2643 557831.3815 -9.2613 -9.2008 PRESSURE: 2284000 -215.904 154.757 -112.686 154.758 -144.71 -77.4447 -112.687 -77.4443 -48.5256 GPRESSURE: 2284000 -161.635 179.448 -70.2815 154.156 -93.3462 -114.057 -169.781 12.2106 -59.0162 PRESSAVG: 2284000 -16.1261 -1.31366 24.6282 -1.31359 58.111 -15.7649 24.6282 -15.7648 -21.319 GPRESSAVG: 2284000 -16.4164 0.0920548 26.4274 -2.82057 60.4842 -15.3822 25.15 -14.0612 -23.2436 TIMING: 2284000 CPU: 6885.57, 0.00299476/step Wall: 6885.57, 0.00299476/step, 2.25938 hours remaining, 209.656250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2284000 754.0374 2091.8470 1914.0503 112.4686 -205433.7576 17383.6778 0.0000 0.0000 34257.6803 -148919.9962 299.1808 -183177.6764 -148822.6584 300.5479 -136.3800 -104.6659 557915.7370 6.8886 6.9414 PRESSURE: 2284200 -71.0582 113.306 90.5902 113.305 -32.064 176.754 90.5904 176.754 -79.6337 GPRESSURE: 2284200 -90.2007 133.978 132.65 128.517 40.9475 158.389 2.73423 190.576 -43.6519 PRESSAVG: 2284200 -40.3635 -1.83302 33.4089 -1.83308 40.4015 13.5336 33.409 13.5336 29.6686 GPRESSAVG: 2284200 -40.6079 -2.83031 32.9056 -1.00782 40.7968 13.0833 31.3445 12.5323 29.011 TIMING: 2284200 CPU: 6886.17, 0.00300748/step Wall: 6886.17, 0.00300748/step, 2.26881 hours remaining, 209.656250 MB of memory in use. ENERGY: 2284200 825.2670 2081.5322 1935.7086 112.0365 -206217.1042 17844.0754 0.0000 0.0000 34422.4863 -148995.9981 300.6201 -183418.4844 -148903.2405 299.8786 -60.9186 -30.9684 556999.4043 9.9022 9.7333 LDB: ============= START OF LOAD BALANCING ============== 6889.69 LDB: ============== END OF LOAD BALANCING =============== 6889.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6889.69 LDB: ============= START OF LOAD BALANCING ============== 6889.99 LDB: Largest compute 4800 load 0.030800 is 26.1% of average load 0.117995 LDB: Average compute 0.001730 is 1.5% of average load 0.117995 LDB: TIME 6889.99 LOAD: AVG 0.117995 MAX 0.209104 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.613 MB LDB: TIME 6889.99 LOAD: AVG 0.117995 MAX 0.209104 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.816 MB LDB: TIME 6889.99 LOAD: AVG 0.117995 MAX 0.209104 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.816 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6890 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6890 PRESSURE: 2284400 59.0178 -26.4108 99.7989 -26.4111 -157.3 100.775 99.799 100.776 -50.3273 GPRESSURE: 2284400 94.0463 -70.8911 98.546 -22.1423 -147.547 143.202 66.8191 125.385 5.61819 PRESSAVG: 2284400 14.9075 -40.187 62.1196 -40.1869 29.7184 -31.3371 62.1196 -31.3371 -12.6035 GPRESSAVG: 2284400 14.887 -39.4699 62.5189 -40.1064 27.5174 -29.8843 62.274 -31.5317 -10.1181 TIMING: 2284400 CPU: 6886.78, 0.00308038/step Wall: 6886.78, 0.00308038/step, 2.32364 hours remaining, 210.222656 MB of memory in use. ENERGY: 2284400 775.2946 2060.4365 1954.2110 104.1637 -206158.8617 17845.0937 0.0000 0.0000 34218.8446 -149200.8177 298.8417 -183419.6623 -149104.5391 299.7322 -49.5366 -15.9608 558206.3830 10.6741 10.7621 PRESSURE: 2284600 83.0626 -28.1 28.8698 -28.1002 2.02428 53.2123 28.8695 53.2142 -92.8518 GPRESSURE: 2284600 97.6393 -38.1748 1.25483 -10.5304 57.0058 136.977 -11.7056 -19.1181 -55.6208 PRESSAVG: 2284600 25.1379 31.4817 30.0103 31.4818 6.90031 39.9449 30.0102 39.9448 -4.1636 GPRESSAVG: 2284600 25.5774 30.7729 28.7839 32.9613 8.72316 39.1627 30.6413 40.4422 -5.9399 TIMING: 2284600 CPU: 6887.39, 0.00303981/step Wall: 6887.39, 0.00303981/step, 2.29286 hours remaining, 210.425781 MB of memory in use. ENERGY: 2284600 768.7278 2114.9854 1942.3417 112.3510 -206210.6294 17879.5416 0.0000 0.0000 34013.6306 -149379.0512 297.0495 -183392.6818 -149285.1230 299.0054 -2.5883 33.0081 557750.5753 9.2915 9.4536 PRESSURE: 2284800 -50.6712 45.9178 161.336 45.9172 -70.5268 79.7366 161.337 79.7368 -168.922 GPRESSURE: 2284800 -61.7333 47.6076 205.364 33.6893 -4.46305 126.793 211.752 145.053 -134.917 PRESSAVG: 2284800 41.2993 -21.2937 -10.9938 -21.2937 23.5957 48.8063 -10.9938 48.8061 -88.6416 GPRESSAVG: 2284800 41.8942 -21.1189 -11.5292 -21.045 24.0179 48.8404 -12.5007 47.4942 -89.5618 TIMING: 2284800 CPU: 6888, 0.00304168/step Wall: 6888, 0.00304168/step, 2.2941 hours remaining, 210.425781 MB of memory in use. ENERGY: 2284800 728.1182 2073.4030 1928.3492 102.0195 -206136.9432 17768.6924 0.0000 0.0000 34288.2524 -149248.1086 299.4478 -183536.3610 -149148.8161 298.5551 -96.7065 -67.0377 558841.6748 -7.9155 -7.8832 PRESSURE: 2285000 218.913 46.2936 -17.7671 46.2933 -64.2147 105.472 -17.7691 105.473 -61.6555 GPRESSURE: 2285000 222.266 -23.0921 -46.8699 152.065 -9.78432 74.5062 -20.0531 112.483 -15.3343 PRESSAVG: 2285000 -0.203958 -2.24808 66.7071 -2.2481 90.1143 30.6794 66.7071 30.6794 -103.48 GPRESSAVG: 2285000 0.0980555 -4.43946 66.2771 -1.38362 89.082 30.5367 69.172 30.3878 -102.717 TIMING: 2285000 CPU: 6888.61, 0.00303787/step Wall: 6888.61, 0.00303787/step, 2.29106 hours remaining, 210.687500 MB of memory in use. ENERGY: 2285000 770.3381 2069.6386 1942.3137 108.6239 -206558.0736 18041.1045 0.0000 0.0000 34288.5663 -149337.4884 299.4506 -183626.0547 -149237.9841 298.8746 31.0143 65.7158 557530.4606 -4.5233 -4.5123 PRESSURE: 2285200 -277.928 115.811 -32.3452 115.81 -137.124 118.452 -32.3454 118.452 -321.487 GPRESSURE: 2285200 -284.365 134.741 17.2147 197.764 -87.2581 82.113 -46.0963 163.625 -264.175 PRESSAVG: 2285200 -13.5623 -7.49937 2.40376 -7.49936 52.2572 -38.1268 2.4037 -38.1268 -7.39865 GPRESSAVG: 2285200 -14.3148 -4.70305 2.55414 -7.57748 53.3217 -37.0579 1.84251 -37.8623 -7.40111 TIMING: 2285200 CPU: 6889.21, 0.00302814/step Wall: 6889.21, 0.00302814/step, 2.28355 hours remaining, 210.687500 MB of memory in use. ENERGY: 2285200 738.0575 2028.5611 1927.8319 106.8140 -206095.8147 17567.2364 0.0000 0.0000 34270.7807 -149456.5331 299.2953 -183727.3138 -149359.9123 298.7178 -245.5130 -211.9327 558184.8296 10.4321 10.5353 PRESSURE: 2285400 -105.936 -58.6418 61.7088 -58.6411 15.4799 85.9794 61.7109 85.981 -126.572 GPRESSURE: 2285400 -77.3987 -42.2649 70.2928 5.01684 95.4595 16.8825 115.897 129.132 -135.637 PRESSAVG: 2285400 -28.7118 20.1607 -59.19 20.1607 27.1831 32.0116 -59.1899 32.0117 34.357 GPRESSAVG: 2285400 -28.4166 18.7208 -60.2404 19.5666 28.6419 30.5049 -57.8855 31.3914 32.6874 TIMING: 2285400 CPU: 6889.81, 0.00300063/step Wall: 6889.81, 0.00300063/step, 2.26264 hours remaining, 210.687500 MB of memory in use. ENERGY: 2285400 738.4932 2048.7272 1930.9120 111.0673 -206361.4478 17939.7802 0.0000 0.0000 34212.0700 -149380.3980 298.7825 -183592.4680 -149287.5944 298.8753 -72.3428 -39.1922 558447.8448 10.9428 10.9709 PRESSURE: 2285600 15.7676 -215.366 143.789 -215.365 -53.9114 -79.1495 143.788 -79.149 -56.565 GPRESSURE: 2285600 8.65057 -220.279 32.5424 -124.999 42.32 22.2471 169.839 -108.67 -34.1554 PRESSAVG: 2285600 -60.1319 -19.0593 -35.2345 -19.0593 36.0145 39.1184 -35.2346 39.1184 43.6328 GPRESSAVG: 2285600 -60.0348 -18.131 -33.0043 -20.3774 35.3914 43.5569 -36.2183 37.6099 44.0211 TIMING: 2285600 CPU: 6890.42, 0.00302949/step Wall: 6890.42, 0.00302949/step, 2.28423 hours remaining, 210.687500 MB of memory in use. ENERGY: 2285600 691.5648 2126.0866 1914.6382 105.6041 -206025.8877 17644.4086 0.0000 0.0000 34174.4087 -149369.1767 298.4536 -183543.5854 -149274.4125 299.2128 -31.5696 5.6051 557065.1735 6.5051 6.4592 PRESSURE: 2285800 238.256 6.06874 182.676 6.06693 179.482 208.005 182.676 208.006 172.182 GPRESSURE: 2285800 290.409 78.3869 170.764 25.0526 193.919 213.036 196.361 221.587 221.258 PRESSAVG: 2285800 -16.8724 -5.73717 5.43246 -5.7371 -33.2067 60.7506 5.4324 60.7506 41.343 GPRESSAVG: 2285800 -17.3101 -6.35397 4.59614 -3.73538 -33.4287 57.9948 3.62722 63.4622 42.0673 TIMING: 2285800 CPU: 6891.02, 0.00301278/step Wall: 6891.02, 0.00301278/step, 2.27147 hours remaining, 210.687500 MB of memory in use. ENERGY: 2285800 742.1427 2099.2714 1921.3110 119.2459 -206697.2026 18153.6605 0.0000 0.0000 34180.9290 -149480.6421 298.5106 -183661.5711 -149393.8681 298.2150 196.6404 235.1954 557222.9333 -2.9120 -2.8905 PRESSURE: 2286000 -130.968 175.484 56.2813 175.483 -195.165 62.0505 56.281 62.0515 -167.604 GPRESSURE: 2286000 -100.776 146.002 68.7446 139.582 -131.407 42.2958 -14.9008 -15.4844 -176.396 PRESSAVG: 2286000 -47.0436 24.9792 64.0715 24.9793 56.6626 70.3111 64.0716 70.3111 -25.6812 GPRESSAVG: 2286000 -46.7237 23.6566 64.2858 22.4245 56.0448 69.6213 66.0862 69.86 -25.9005 TIMING: 2286000 CPU: 6891.62, 0.00300289/step Wall: 6891.62, 0.00300289/step, 2.26385 hours remaining, 210.687500 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: 2286000 734.7916 2129.1782 1922.6308 110.7810 -206252.4042 17668.6295 0.0000 0.0000 34076.8490 -149609.5442 297.6016 -183686.3932 -149515.9527 298.7180 -164.5790 -136.1931 557477.1005 -5.3541 -5.5265 PRESSURE: 2286200 81.3731 -105.314 -122.392 -105.314 -166.906 -32.092 -122.393 -32.0905 145.502 GPRESSURE: 2286200 67.7079 -105.254 -54.0121 -99.3473 -104.462 36.1124 -102.924 -5.99788 199.766 PRESSAVG: 2286200 36.7771 9.09744 58.9699 9.09744 -25.6036 0.347759 58.9698 0.34774 12.1751 GPRESSAVG: 2286200 35.7676 8.82058 56.6115 10.7259 -25.0004 1.28353 57.4805 -0.7491 12.3583 TIMING: 2286200 CPU: 6892.23, 0.00302696/step Wall: 6892.23, 0.00302696/step, 2.28183 hours remaining, 210.687500 MB of memory in use. ENERGY: 2286200 771.6972 2098.7997 1915.5119 105.9085 -206448.9454 18061.8468 0.0000 0.0000 34032.7114 -149462.4699 297.2161 -183495.1813 -149374.6867 297.8913 19.9899 54.3373 557333.7969 7.7829 7.7085 PRESSURE: 2286400 171.032 82.2703 -38.749 82.2704 -122.939 -106.965 -38.7485 -106.965 -15.1375 GPRESSURE: 2286400 244.416 8.50359 -82.8137 144.339 -87.1377 -102.243 18.8 -106.87 -12.4361 PRESSAVG: 2286400 -7.59773 5.60906 -30.9995 5.6091 -53.8492 -42.914 -30.9995 -42.9139 44.6229 GPRESSAVG: 2286400 -7.12576 7.21653 -27.256 3.94139 -53.6395 -42.8441 -30.1088 -41.6873 44.408 TIMING: 2286400 CPU: 6892.83, 0.00303925/step Wall: 6892.83, 0.00303925/step, 2.29092 hours remaining, 210.687500 MB of memory in use. ENERGY: 2286400 717.2730 2070.2117 1886.7119 109.9738 -206362.1631 17757.9363 0.0000 0.0000 34386.0185 -149434.0378 300.3017 -183820.0564 -149342.9688 298.1640 10.9853 48.2807 556286.7955 -5.6080 -5.4524 PRESSURE: 2286600 -226.642 -62.5166 16.5506 -62.5161 -64.5646 47.4411 16.5501 47.4427 -187.834 GPRESSURE: 2286600 -216.698 -33.3011 87.8231 12.327 -60.6967 -43.8217 -43.6295 -38.5452 -117.303 PRESSAVG: 2286600 17.1351 25.5413 -36.6824 25.5414 9.51158 -31.4257 -36.6825 -31.4257 1.88565 GPRESSAVG: 2286600 17.8783 22.5865 -36.951 29.6979 7.97587 -32.6269 -37.3937 -31.4231 3.13759 TIMING: 2286600 CPU: 6893.44, 0.00301597/step Wall: 6893.44, 0.00301597/step, 2.2732 hours remaining, 210.687500 MB of memory in use. ENERGY: 2286600 721.3007 2079.4646 1929.2326 106.6701 -206178.3896 17599.9445 0.0000 0.0000 34211.8356 -149529.9415 298.7805 -183741.7771 -149437.3162 298.5724 -159.6802 -131.5660 556566.8243 9.5108 9.6639 PRESSURE: 2286800 -73.7437 8.21651 20.9864 8.21676 -132.305 -155.012 20.9863 -155.011 -22.427 GPRESSURE: 2286800 -17.8944 -31.1627 2.68803 -23.6988 -122.211 -150.688 76.3044 -163.893 5.78721 PRESSAVG: 2286800 38.9191 -11.1902 31.3092 -11.1903 15.0434 7.73401 31.3093 7.73386 -11.7076 GPRESSAVG: 2286800 38.8176 -9.37378 30.5961 -13.0407 14.8367 8.72749 32.2974 7.494 -11.6935 TIMING: 2286800 CPU: 6894.04, 0.0030231/step Wall: 6894.04, 0.0030231/step, 2.27841 hours remaining, 210.687500 MB of memory in use. ENERGY: 2286800 709.5301 2052.8509 1919.3133 115.7915 -205762.6931 17556.1469 0.0000 0.0000 33952.2456 -149456.8148 296.5134 -183409.0604 -149353.3931 298.9000 -76.1586 -44.7729 556513.6437 14.0850 13.9869 PRESSURE: 2287000 226.586 -45.0889 -133.111 -45.0879 112.322 101.672 -133.112 101.672 377.428 GPRESSURE: 2287000 243.165 -8.39551 -192.361 5.13099 147.969 67.8732 -86.9782 83.1668 414.009 PRESSAVG: 2287000 58.1823 -12.5959 -72.8979 -12.596 -2.99532 -25.3039 -72.8979 -25.304 -22.058 GPRESSAVG: 2287000 58.104 -9.49308 -72.5086 -13.5355 -2.70384 -28.0671 -73.2372 -25.3836 -23.1941 TIMING: 2287000 CPU: 6894.64, 0.00301109/step Wall: 6894.64, 0.00301109/step, 2.26919 hours remaining, 210.687500 MB of memory in use. ENERGY: 2287000 751.1323 2121.4115 1916.5202 109.3178 -206649.6336 18216.3962 0.0000 0.0000 34215.8370 -149319.0185 298.8154 -183534.8555 -149224.2501 298.8183 238.7788 268.3808 556903.1218 11.0430 10.7353 PRESSURE: 2287200 -75.2787 53.0449 125.115 53.0448 97.0807 -75.7543 125.112 -75.7543 -215.972 GPRESSURE: 2287200 -82.7241 24.8888 149.426 97.9708 106.768 -84.8868 73.8905 -150.974 -122.96 PRESSAVG: 2287200 43.4493 43.6393 -48.6492 43.6393 -40.1648 -0.435692 -48.6492 -0.435611 -47.7631 GPRESSAVG: 2287200 41.6745 41.3158 -48.6333 44.6572 -38.5674 1.16876 -49.7634 0.164371 -47.7321 TIMING: 2287200 CPU: 6895.24, 0.00298301/step Wall: 6895.24, 0.00298301/step, 2.24786 hours remaining, 210.687500 MB of memory in use. ENERGY: 2287200 788.2366 2072.4958 1930.6677 112.3840 -206532.9069 17981.1109 0.0000 0.0000 34335.2883 -149312.7234 299.8586 -183648.0117 -149214.9810 298.8051 -64.7232 -32.9722 558691.1604 -14.8262 -14.8750 PRESSURE: 2287400 -48.5051 -11.2073 -45.8088 -11.2058 150.044 51.2571 -45.8093 51.2571 25.5423 GPRESSURE: 2287400 -36.636 69.9189 -48.9845 -49.3126 222.725 115.418 -104.949 65.3686 42.071 PRESSAVG: 2287400 19.2718 35.8814 41.3572 35.8814 20.1635 -48.0749 41.3571 -48.075 -33.1444 GPRESSAVG: 2287400 20.06 36.6317 40.2262 33.7584 18.5888 -47.3694 41.7651 -47.3482 -32.0937 TIMING: 2287400 CPU: 6895.84, 0.00297286/step Wall: 6895.84, 0.00297286/step, 2.24005 hours remaining, 210.687500 MB of memory in use. ENERGY: 2287400 744.0011 2144.3073 1911.4183 109.4655 -206209.5072 17936.5412 0.0000 0.0000 33973.7025 -149390.0713 296.7008 -183363.7738 -149304.3544 299.4913 42.3604 76.0534 557227.5435 2.0970 2.1850 PRESSURE: 2287600 -134.05 24.0023 -56.656 24.0014 -40.5673 -32.8839 -56.6559 -32.8835 -322.817 GPRESSURE: 2287600 -150.704 87.9863 2.75594 -27.6115 25.9063 -19.037 -83.2054 23.8359 -282.458 PRESSAVG: 2287600 9.54864 51.7451 47.0782 51.745 60.8856 -22.7681 47.0782 -22.768 -41.6599 GPRESSAVG: 2287600 9.4647 51.443 48.8781 52.2687 62.3761 -22.4333 47.3143 -23.8313 -43.0312 TIMING: 2287600 CPU: 6896.43, 0.0029862/step Wall: 6896.43, 0.0029862/step, 2.24994 hours remaining, 210.687500 MB of memory in use. ENERGY: 2287600 754.5484 2058.5110 1933.5508 124.4154 -206266.7877 17729.8687 0.0000 0.0000 34217.8503 -149448.0432 298.8330 -183665.8935 -149350.4596 298.8131 -165.8112 -135.7518 556985.9533 9.5915 9.6032 PRESSURE: 2287800 -51.5701 204.997 13.5022 204.996 378.583 9.5017 13.5019 9.50118 106.616 GPRESSURE: 2287800 -63.2461 220.052 -57.712 225.126 418.581 124.64 93.3752 -14.324 169.102 PRESSAVG: 2287800 17.4844 11.816 -22.1208 11.8161 26.8955 -22.4217 -22.1207 -22.4216 -18.0333 GPRESSAVG: 2287800 17.4907 9.43689 -22.9023 14.8139 26.1465 -22.6152 -21.0068 -21.7753 -17.1189 TIMING: 2287800 CPU: 6897.03, 0.00298635/step Wall: 6897.03, 0.00298635/step, 2.24988 hours remaining, 210.687500 MB of memory in use. ENERGY: 2287800 739.6573 2107.2534 1925.6146 109.6170 -206634.0933 18087.0703 0.0000 0.0000 34307.3176 -149357.5630 299.6143 -183664.8806 -149256.9726 298.9315 144.5429 174.8125 557137.4061 8.7822 8.8394 PRESSURE: 2288000 -98.5672 -12.0397 36.5403 -12.0388 32.2942 111.551 36.5411 111.552 -26.4738 GPRESSURE: 2288000 -52.0806 8.61718 70.7663 -53.4703 62.5837 106.05 43.6464 136.942 -12.9692 PRESSAVG: 2288000 -91.4403 -23.1929 15.8179 -23.193 24.956 59.6713 15.8179 59.6715 46.503 GPRESSAVG: 2288000 -91.9166 -19.1531 16.9007 -25.028 25.0365 58.0329 15.4931 58.2689 46.9769 TIMING: 2288000 CPU: 6897.62, 0.00296231/step Wall: 6897.62, 0.00296231/step, 2.23161 hours remaining, 210.687500 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: 2288000 734.8198 2073.5618 1918.6491 107.7800 -205917.0928 17744.4854 0.0000 0.0000 33999.1862 -149338.6105 296.9233 -183337.7966 -149239.9497 298.7093 -30.9156 -0.8220 557839.0273 -6.6604 -6.6344 PRESSURE: 2288200 -314.992 -211.613 131.583 -211.614 -263.183 -53.245 131.583 -53.2422 -334.002 GPRESSURE: 2288200 -287.413 -74.7073 131.138 -180.506 -207.286 -59.764 112.605 -103.638 -320.069 PRESSAVG: 2288200 98.9883 -19.5671 29.1124 -19.5671 17.8971 33.6347 29.1124 33.6348 -41.5062 GPRESSAVG: 2288200 99.1572 -20.6148 27.0779 -20.4679 18.6839 34.6354 28.9316 34.2722 -42.6036 TIMING: 2288200 CPU: 6898.22, 0.00298119/step Wall: 6898.22, 0.00298119/step, 2.24567 hours remaining, 210.687500 MB of memory in use. ENERGY: 2288200 750.4362 2086.5237 1892.6969 109.3591 -205701.0516 17301.1101 0.0000 0.0000 34229.8403 -149331.0853 298.9377 -183560.9256 -149236.9395 298.7950 -304.0590 -271.5893 557449.7247 25.1264 25.0792 LDB: ============= START OF LOAD BALANCING ============== 6901.73 LDB: ============== END OF LOAD BALANCING =============== 6901.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6901.74 LDB: ============= START OF LOAD BALANCING ============== 6902.04 LDB: Largest compute 4800 load 0.031200 is 26.4% of average load 0.118070 LDB: Average compute 0.001724 is 1.5% of average load 0.118070 LDB: TIME 6902.04 LOAD: AVG 0.11807 MAX 0.208156 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.457 MB LDB: TIME 6902.04 LOAD: AVG 0.11807 MAX 0.208156 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.527 MB LDB: TIME 6902.04 LOAD: AVG 0.11807 MAX 0.208156 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.527 MB LDB: ============== END OF LOAD BALANCING =============== 6902.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6902.05 PRESSURE: 2288400 -51.7343 142.034 -96.3225 142.033 -228.914 -54.5087 -96.3234 -54.5085 -333.954 GPRESSURE: 2288400 -48.6278 223.636 -82.1814 145.318 -188.189 -79.9475 -135.11 -56.1727 -287.572 PRESSAVG: 2288400 31.5838 -9.35909 27.3863 -9.35912 -26.1823 -13.0503 27.3863 -13.0502 -13.6898 GPRESSAVG: 2288400 31.6104 -9.11852 28.0314 -9.97505 -25.8104 -14.0055 29.0218 -12.0788 -14.1368 TIMING: 2288400 CPU: 6898.83, 0.0030479/step Wall: 6898.83, 0.0030479/step, 2.29575 hours remaining, 208.796875 MB of memory in use. ENERGY: 2288400 758.2817 2068.1070 1918.1100 102.6548 -205920.2632 17556.0431 0.0000 0.0000 34116.2767 -149400.7899 297.9459 -183517.0666 -149304.9249 298.8425 -204.8675 -174.7962 557270.7573 -2.7627 -2.7789 PRESSURE: 2288600 -96.816 -209.247 147.482 -209.249 26.9822 -53.5205 147.482 -53.5199 -124.01 GPRESSURE: 2288600 -87.9455 -229.585 157.33 -217.701 92.3299 -15.37 103.703 -9.46139 -97.2395 PRESSAVG: 2288600 68.3471 14.4464 37.3148 14.4462 -61.5512 -4.21533 37.3147 -4.21529 -26.8215 GPRESSAVG: 2288600 68.9731 13.5541 40.6943 15.1277 -62.8083 -4.1257 35.5931 -3.16525 -25.913 TIMING: 2288600 CPU: 6899.43, 0.0029928/step Wall: 6899.43, 0.0029928/step, 2.25407 hours remaining, 208.796875 MB of memory in use. ENERGY: 2288600 765.8626 2080.1281 1920.8123 119.4000 -206060.7342 17710.9623 0.0000 0.0000 34162.0222 -149301.5467 298.3454 -183463.5689 -149199.3027 299.2485 -64.6146 -30.9517 557406.5118 -6.6752 -6.5828 PRESSURE: 2288800 332.975 -271.238 -6.94247 -271.239 36.377 -64.6267 -6.94207 -64.6258 273.013 GPRESSURE: 2288800 346.438 -316.766 -67.411 -278.971 105.901 -31.4198 47.7164 -136.835 283.231 PRESSAVG: 2288800 27.7461 -8.62425 6.04986 -8.62425 -10.3476 -2.45705 6.04995 -2.45702 -34.5063 GPRESSAVG: 2288800 27.4453 -8.74788 4.51544 -6.44944 -10.3433 -1.96389 7.13631 -4.092 -33.8892 TIMING: 2288800 CPU: 6900.03, 0.00300479/step Wall: 6900.03, 0.00300479/step, 2.26294 hours remaining, 208.796875 MB of memory in use. ENERGY: 2288800 738.3148 2105.2853 1923.9892 116.1840 -206957.2467 18398.7585 0.0000 0.0000 34440.7228 -149233.9920 300.7794 -183674.7149 -149144.1098 298.9330 214.1216 245.1899 556266.3839 -5.7026 -5.5957 PRESSURE: 2289000 -97.3437 35.6757 19.7269 35.6763 43.0772 70.7192 19.7282 70.7206 -187.299 GPRESSURE: 2289000 -72.1034 28.9652 41.4694 55.0633 38.2773 94.5942 -46.8248 66.8684 -112.505 PRESSAVG: 2289000 10.4456 -7.36923 27.606 -7.36927 32.7811 29.535 27.606 29.5349 -10.7595 GPRESSAVG: 2289000 11.7698 -7.69533 26.6621 -8.8312 31.5498 29.8203 28.2834 30.0549 -10.4539 TIMING: 2289000 CPU: 6900.62, 0.00297644/step Wall: 6900.62, 0.00297644/step, 2.24143 hours remaining, 208.796875 MB of memory in use. ENERGY: 2289000 766.6331 2132.7996 1932.3700 106.4940 -206130.4312 17788.6103 0.0000 0.0000 34212.4783 -149191.0459 298.7861 -183403.5242 -149082.6826 299.0002 -80.5220 -48.7769 558528.8191 10.8224 10.9553 PRESSURE: 2289200 73.97 -46.6653 69.9829 -46.6653 83.8614 25.6998 69.9821 25.701 26.6869 GPRESSURE: 2289200 97.2286 -78.8445 193.632 -38.0797 124.901 12.8342 46.9835 25.7949 54.7496 PRESSAVG: 2289200 29.9464 -27.5441 -1.7747 -27.544 -100.395 -42.7323 -1.77476 -42.7322 60.1993 GPRESSAVG: 2289200 28.3919 -27.0278 -0.643935 -26.1896 -98.2626 -42.7695 -2.28932 -40.7298 59.5843 TIMING: 2289200 CPU: 6901.22, 0.00298448/step Wall: 6901.22, 0.00298448/step, 2.24732 hours remaining, 208.796875 MB of memory in use. ENERGY: 2289200 730.4408 2082.3628 1926.5624 111.9712 -206149.6512 17952.2078 0.0000 0.0000 34212.1848 -149133.9215 298.7835 -183346.1062 -149035.0735 299.1406 61.5061 92.2932 558073.0132 -3.4163 -3.4288 PRESSURE: 2289400 -86.7252 9.46735 -26.0155 9.46703 124.388 -15.9882 -26.0153 -15.9887 -153.949 GPRESSURE: 2289400 2.61339 -34.1479 -86.287 34.5959 133.675 -100.281 7.91821 -68.3334 -147.329 PRESSAVG: 2289400 50.9832 3.65465 44.8255 3.65467 -18.7824 -66.1338 44.8256 -66.1337 -35.9408 GPRESSAVG: 2289400 52.505 3.54014 44.7552 1.86554 -18.9473 -66.8867 45.0757 -66.6169 -36.9039 TIMING: 2289400 CPU: 6901.82, 0.00297501/step Wall: 6901.82, 0.00297501/step, 2.24002 hours remaining, 208.796875 MB of memory in use. ENERGY: 2289400 771.3947 2115.3300 1920.5652 116.7044 -206063.6695 17696.1492 0.0000 0.0000 34279.1352 -149164.3909 299.3682 -183443.5260 -149069.7544 299.0367 -38.7622 -3.6803 557125.4047 -1.2467 -1.1154 PRESSURE: 2289600 -431.062 54.9444 72.2665 54.9448 -302.386 -12.8023 72.2672 -12.8025 -3.23945 GPRESSURE: 2289600 -390.357 58.5926 24.5542 67.4048 -246.208 7.20854 92.2992 -38.8601 -6.66832 PRESSAVG: 2289600 -25.2138 26.4803 8.75448 26.4802 28.1606 -58.0206 8.75443 -58.0208 28.3018 GPRESSAVG: 2289600 -26.1049 24.4738 8.65375 28.0022 28.6934 -57.9771 11.4904 -58.694 28.5202 TIMING: 2289600 CPU: 6902.41, 0.00299194/step Wall: 6902.41, 0.00299194/step, 2.2526 hours remaining, 208.796875 MB of memory in use. ENERGY: 2289600 767.5375 2109.6148 1938.7480 119.4266 -205960.0197 17482.5236 0.0000 0.0000 34427.2320 -149114.9372 300.6616 -183542.1692 -149014.6753 299.2652 -245.5626 -214.4109 557988.2392 10.4162 10.3696 PRESSURE: 2289800 74.5595 101.451 146.399 101.452 27.0865 14.0312 146.398 14.0314 -126.649 GPRESSURE: 2289800 112.86 242.712 97.0457 60.9087 37.7309 100.12 181.984 -15.1037 -75.2391 PRESSAVG: 2289800 6.81381 3.13492 40.5415 3.13493 21.8379 -16.5051 40.5416 -16.5051 5.00286 GPRESSAVG: 2289800 5.85442 3.13242 38.8143 4.29679 20.6819 -14.4067 40.9452 -18.132 6.88087 TIMING: 2289800 CPU: 6903.01, 0.00298126/step Wall: 6903.01, 0.00298126/step, 2.24439 hours remaining, 208.796875 MB of memory in use. ENERGY: 2289800 750.4658 2129.9860 1917.5695 119.3952 -206140.1870 17827.0257 0.0000 0.0000 34279.4422 -149116.3025 299.3709 -183395.7447 -149020.4356 299.7721 -8.3343 25.1172 557758.2143 11.2182 11.1390 PRESSURE: 2290000 -30.5026 35.723 -48.4781 35.7233 -136.673 -32.7423 -48.4781 -32.7431 -289.672 GPRESSURE: 2290000 -16.6017 -21.1996 -48.3719 44.0428 -92.6392 -143.221 -88.4029 12.2584 -239.213 PRESSAVG: 2290000 -7.13043 2.83531 -4.10945 2.8353 36.6494 6.5322 -4.10943 6.53217 -6.05148 GPRESSAVG: 2290000 -5.2514 4.67947 -1.32952 1.54695 35.6377 5.54019 -7.34913 7.24649 -7.02002 TIMING: 2290000 CPU: 6903.61, 0.00299071/step Wall: 6903.61, 0.00299071/step, 2.25134 hours remaining, 208.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2290000 738.8924 2077.3091 1937.4811 113.0075 -205759.0073 17691.7991 0.0000 0.0000 33952.2743 -149248.2438 296.5137 -183200.5181 -149154.1721 298.9741 -152.2824 -116.1513 558869.5458 7.8225 7.7888 PRESSURE: 2290200 266.699 37.868 -41.8182 37.8692 -81.0037 91.8371 -41.8184 91.8366 118.772 GPRESSURE: 2290200 317.943 88.4369 -7.58587 6.04662 -69.465 108.557 -71.7338 163.617 149.77 PRESSAVG: 2290200 56.0801 17.9571 -23.1938 17.957 -23.3076 4.80544 -23.1938 4.80539 8.05287 GPRESSAVG: 2290200 54.9369 18.5273 -24.3529 16.9218 -22.8889 4.78565 -23.1163 4.77111 8.63513 TIMING: 2290200 CPU: 6904.21, 0.00298834/step Wall: 6904.21, 0.00298834/step, 2.24939 hours remaining, 208.796875 MB of memory in use. ENERGY: 2290200 765.4417 2120.5949 1910.2417 120.7374 -206507.3265 18174.3101 0.0000 0.0000 34222.7330 -149193.2677 298.8756 -183416.0007 -149090.7971 299.4612 101.4892 132.7493 557632.2802 13.6084 13.5610 PRESSURE: 2290400 135.839 107.79 123.29 107.791 -195.79 -110.804 123.29 -110.803 298.506 GPRESSURE: 2290400 207.513 105.601 152.628 137.366 -164.083 -32.2314 116.216 -124.114 297.427 PRESSAVG: 2290400 -29.0181 -9.30046 -16.4145 -9.30042 -8.53795 -41.6777 -16.4145 -41.6777 32.1613 GPRESSAVG: 2290400 -28.5754 -9.06623 -18.1137 -8.60745 -8.657 -41.9039 -14.9926 -40.8046 31.7102 TIMING: 2290400 CPU: 6904.8, 0.00298489/step Wall: 6904.8, 0.00298489/step, 2.24663 hours remaining, 208.796875 MB of memory in use. ENERGY: 2290400 746.9101 2174.4785 1910.3801 111.9666 -206547.7343 18032.2648 0.0000 0.0000 34305.6251 -149266.1091 299.5996 -183571.7342 -149174.4280 298.8611 79.5182 113.6192 556757.5065 -1.7983 -1.8407 PRESSURE: 2290600 376.715 -7.49944 -40.2568 -7.50024 135.855 -1.41169 -40.2583 -1.41165 113.324 GPRESSURE: 2290600 386.338 22.172 -3.28805 -25.8139 199.797 -10.0745 -102.516 76.1704 144.559 PRESSAVG: 2290600 -7.12281 46.458 -10.7387 46.458 -38.9185 -49.6936 -10.7386 -49.6936 53.6382 GPRESSAVG: 2290600 -6.64241 47.1559 -11.0761 45.6296 -38.6651 -50.7491 -11.1837 -49.6638 53.346 TIMING: 2290600 CPU: 6905.4, 0.00299413/step Wall: 6905.4, 0.00299413/step, 2.25342 hours remaining, 208.796875 MB of memory in use. ENERGY: 2290600 748.8986 2130.9419 1911.6176 111.7972 -206546.4916 18176.4193 0.0000 0.0000 34218.9543 -149247.8628 298.8426 -183466.8170 -149159.2116 299.3371 208.6315 243.5644 557356.1031 2.5323 2.6795 PRESSURE: 2290800 158.305 -83.3936 73.0859 -83.3937 200.2 10.6995 73.0867 10.701 -129.461 GPRESSURE: 2290800 181.079 -98.3773 91.1379 -126.714 277.927 33.5601 94.5272 46.6093 -115.537 PRESSAVG: 2290800 58.2456 -3.81562 40.8542 -3.81564 -58.7472 -13.2034 40.8543 -13.2034 -5.41732 GPRESSAVG: 2290800 57.9604 -5.46387 42.6166 -3.02046 -59.0941 -14.0453 41.3743 -11.796 -5.01658 TIMING: 2290800 CPU: 6906, 0.00301306/step Wall: 6906, 0.00301306/step, 2.2675 hours remaining, 208.796875 MB of memory in use. ENERGY: 2290800 765.5322 2070.2456 1928.2835 127.2955 -206528.4804 18135.3884 0.0000 0.0000 34176.5505 -149325.1847 298.4723 -183501.7352 -149223.0236 299.2091 76.3479 114.4898 556734.1055 -1.9730 -2.0501 PRESSURE: 2291000 -117.719 7.84515 -63.4609 7.8453 -212.075 30.833 -63.461 30.8327 -20.7277 GPRESSURE: 2291000 -31.4061 81.6329 -81.2129 180.874 -216.864 51.7843 -25.2241 55.2159 -8.44159 PRESSAVG: 2291000 -31.6329 30.1921 -3.53639 30.1921 50.8001 -86.4204 -3.53641 -86.4202 -24.8464 GPRESSAVG: 2291000 -30.6535 29.1624 -4.30295 30.1251 50.1424 -85.263 -3.57981 -87.5358 -25.3459 TIMING: 2291000 CPU: 6906.6, 0.00298379/step Wall: 6906.6, 0.00298379/step, 2.2453 hours remaining, 209.000000 MB of memory in use. ENERGY: 2291000 730.3445 2063.3266 1893.3465 122.0373 -205687.2259 17744.9494 0.0000 0.0000 33867.6532 -149265.5684 295.7746 -183133.2216 -149160.3226 299.0921 -116.8404 -85.5706 559150.0339 -1.8930 -1.9523 PRESSURE: 2291200 29.3253 -18.0454 -59.298 -18.0461 -25.194 -24.1788 -59.2973 -24.1773 132.484 GPRESSURE: 2291200 68.9945 71.7782 -79.8645 -48.3671 42.4666 -42.8138 -92 -76.0467 116.23 PRESSAVG: 2291200 -13.6784 17.177 -14.4535 17.177 -32.8109 -41.6616 -14.4535 -41.6616 71.5544 GPRESSAVG: 2291200 -13.7506 18.2695 -15.609 15.6072 -32.6026 -40.0713 -16.3684 -43.4237 71.8422 TIMING: 2291200 CPU: 6907.2, 0.00298495/step Wall: 6907.2, 0.00298495/step, 2.24601 hours remaining, 209.000000 MB of memory in use. ENERGY: 2291200 781.3038 2086.2802 1913.4062 107.0174 -206116.1578 17956.1416 0.0000 0.0000 34099.5615 -149172.4472 297.8000 -183272.0087 -149074.3678 298.6030 45.5384 75.8970 557729.7605 8.3550 8.4963 PRESSURE: 2291400 -204.906 42.5176 -113.771 42.5169 -112.062 -165.473 -113.772 -165.473 -267.989 GPRESSURE: 2291400 -138.933 -14.8202 -116.829 102.6 -128.631 -167.199 -5.2998 -166.653 -219.672 PRESSAVG: 2291400 -72.1189 1.55019 -14.2535 1.55018 62.6151 -7.22758 -14.2535 -7.22761 33.9866 GPRESSAVG: 2291400 -71.264 1.69574 -14.9113 4.44794 62.1467 -9.18631 -12.0063 -5.1965 33.904 TIMING: 2291400 CPU: 6907.8, 0.00299199/step Wall: 6907.8, 0.00299199/step, 2.25114 hours remaining, 209.000000 MB of memory in use. ENERGY: 2291400 762.6104 2076.7133 1918.7288 126.4050 -205630.0365 17464.7205 0.0000 0.0000 34157.1108 -149123.7477 298.3025 -183280.8585 -149036.2567 299.6431 -194.9857 -162.4122 558608.0687 8.1610 8.2622 PRESSURE: 2291600 126.315 -16.9999 44.7525 -17.0003 81.1546 -166.367 44.7516 -166.368 103.615 GPRESSURE: 2291600 162.168 36.0216 87.025 -146.293 74.8249 -173.069 -52.9574 -75.8449 174.332 PRESSAVG: 2291600 -49.2467 -18.3002 8.70349 -18.3002 0.80639 -15.1235 8.7034 -15.1237 68.6987 GPRESSAVG: 2291600 -49.1571 -17.0296 9.493 -18.622 1.00834 -13.8353 6.74162 -17.4823 67.7505 TIMING: 2291600 CPU: 6908.4, 0.00301081/step Wall: 6908.4, 0.00301081/step, 2.26513 hours remaining, 209.000000 MB of memory in use. ENERGY: 2291600 775.9663 2068.4939 1929.3579 109.9754 -206436.8367 18194.9616 0.0000 0.0000 34228.1120 -149129.9696 298.9226 -183358.0816 -149033.7795 299.6295 103.6947 137.1081 557067.2298 6.7528 6.5339 PRESSURE: 2291800 -13.8672 81.9061 -154.654 81.9071 -114.224 204.23 -154.654 204.231 -138.28 GPRESSURE: 2291800 3.65226 95.286 -94.6763 46.1096 2.61953 180.174 -146.43 147.475 -182.498 PRESSAVG: 2291800 -7.46164 32.4784 -17.7035 32.4783 -39.81 23.4902 -17.7036 23.4903 60.7395 GPRESSAVG: 2291800 -7.90697 31.5224 -14.6134 31.6146 -38.7762 21.9415 -18.4486 25.7479 60.3326 TIMING: 2291800 CPU: 6909, 0.00299356/step Wall: 6909, 0.00299356/step, 2.25199 hours remaining, 209.000000 MB of memory in use. ENERGY: 2291800 777.1547 2094.6623 1943.9068 112.0498 -206108.5130 17667.2352 0.0000 0.0000 34346.8716 -149166.6326 299.9598 -183513.5042 -149079.2288 299.0287 -88.7905 -58.7422 557584.4679 4.4893 4.5498 PRESSURE: 2292000 -32.2785 -31.2629 -110.051 -31.262 -55.3323 -54.1311 -110.051 -54.1318 -33.446 GPRESSURE: 2292000 -52.0677 -1.33371 -96.7355 -52.7239 3.73951 -33.0096 -93.7567 33.6967 29.7593 PRESSAVG: 2292000 10.0686 70.0561 46.5263 70.0561 -24.6504 13.4707 46.5264 13.4707 24.6875 GPRESSAVG: 2292000 9.54114 69.3436 45.3187 69.8881 -24.9149 14.3534 46.4563 11.4757 25.6493 TIMING: 2292000 CPU: 6909.6, 0.00301268/step Wall: 6909.6, 0.00301268/step, 2.26621 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: 2292000 737.3211 2114.6440 1932.1340 103.0236 -206190.9448 17700.0413 0.0000 0.0000 34192.4604 -149411.3205 298.6113 -183603.7809 -149317.5720 298.4782 -40.3523 -6.1896 557999.8152 3.3686 3.4252 PRESSURE: 2292200 -38.7258 -72.3375 -35.1733 -72.3374 158.181 -100.744 -35.1729 -100.742 -190.417 GPRESSURE: 2292200 -55.6277 -90.5927 2.22172 -34.5898 225.679 -158.558 -57.4442 -58.3123 -141.792 PRESSAVG: 2292200 -14.1726 12.6041 -14.0716 12.604 109.353 -48.4483 -14.0715 -48.4483 -51.0464 GPRESSAVG: 2292200 -15.0024 13.4074 -13.1048 10.1012 109.105 -50.7109 -13.4886 -45.1793 -49.7075 TIMING: 2292200 CPU: 6910.21, 0.00303388/step Wall: 6910.21, 0.00303388/step, 2.28198 hours remaining, 209.000000 MB of memory in use. ENERGY: 2292200 742.2020 2104.0474 1905.4517 118.4973 -206497.9464 17790.4113 0.0000 0.0000 34375.0327 -149462.3041 300.2057 -183837.3368 -149367.1047 298.2094 -23.6538 9.4197 557243.6419 14.7114 14.7985 LDB: ============= START OF LOAD BALANCING ============== 6913.73 LDB: ============== END OF LOAD BALANCING =============== 6913.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6913.73 LDB: ============= START OF LOAD BALANCING ============== 6914.03 LDB: Largest compute 4800 load 0.032130 is 27.2% of average load 0.117991 LDB: Average compute 0.001732 is 1.5% of average load 0.117991 LDB: TIME 6914.04 LOAD: AVG 0.117991 MAX 0.209657 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.746 MB LDB: TIME 6914.04 LOAD: AVG 0.117991 MAX 0.209657 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.746 MB LDB: TIME 6914.04 LOAD: AVG 0.117991 MAX 0.209657 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.746 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6914.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6914.04 PRESSURE: 2292400 -33.472 -24.8335 46.3433 -24.8338 54.9758 -34.1117 46.3419 -34.113 -229.649 GPRESSURE: 2292400 21.2985 32.3358 -17.6993 -41.3604 63.201 -119.922 121.888 -37.2374 -200.135 PRESSAVG: 2292400 -52.3987 -9.91495 -37.2495 -9.91493 54.9086 -52.5762 -37.2495 -52.5762 52.9681 GPRESSAVG: 2292400 -51.6374 -9.48137 -40.4007 -8.23718 55.2175 -51.3321 -36.2287 -55.6138 52.0938 TIMING: 2292400 CPU: 6910.82, 0.00309233/step Wall: 6910.82, 0.00309233/step, 2.32577 hours remaining, 210.539062 MB of memory in use. ENERGY: 2292400 757.7817 2036.2603 1926.3994 126.2594 -206071.9747 17712.7505 0.0000 0.0000 34060.8652 -149451.6583 297.4620 -183512.5235 -149359.0822 298.3166 -69.3818 -38.5453 557920.2729 18.4927 18.5580 PRESSURE: 2292600 81.1966 -40.4672 -60.8059 -40.4675 129.279 -192.575 -60.8073 -192.576 195.301 GPRESSURE: 2292600 91.5269 -6.3114 -56.4853 -94.8402 187.668 -180.183 -101.704 -226.192 232.903 PRESSAVG: 2292600 -31.7834 -35.4016 41.6688 -35.4016 17.4884 -19.6262 41.6688 -19.6261 28.1879 GPRESSAVG: 2292600 -33.3481 -36.5109 43.014 -34.2212 18.7766 -19.1854 40.2038 -19.5106 28.4622 TIMING: 2292600 CPU: 6911.44, 0.00305378/step Wall: 6911.44, 0.00305378/step, 2.29661 hours remaining, 210.683594 MB of memory in use. ENERGY: 2292600 712.8306 2089.3624 1922.2795 111.7342 -206611.2063 18135.7976 0.0000 0.0000 34190.2476 -149448.9544 298.5919 -183639.2020 -149348.5880 298.3100 135.2587 170.6993 558119.2036 4.6310 4.6302 PRESSURE: 2292800 103.098 -10.8487 58.1343 -10.8479 33.5963 -79.5914 58.1342 -79.5922 49.6069 GPRESSURE: 2292800 132.27 -29.3238 83.9759 12.7315 66.3256 -34.7706 3.19566 -83.3852 89.3448 PRESSAVG: 2292800 11.2256 -51.0965 77.6272 -51.0965 13.2161 -55.7995 77.6272 -55.7995 -0.772829 GPRESSAVG: 2292800 12.5514 -49.7369 77.9156 -53.0535 12.1817 -55.876 78.9189 -54.8525 -0.327726 TIMING: 2292800 CPU: 6912.04, 0.00302937/step Wall: 6912.04, 0.00302937/step, 2.27809 hours remaining, 210.683594 MB of memory in use. ENERGY: 2292800 712.1097 2081.0920 1925.8605 116.0542 -206413.0052 17920.8591 0.0000 0.0000 34290.8717 -149366.1580 299.4707 -183657.0297 -149266.4294 298.8258 62.1004 95.9800 557985.3753 7.8896 8.1351 PRESSURE: 2293000 6.22873 80.5042 -5.76591 80.5027 -366.664 171.328 -5.76678 171.329 -102.612 GPRESSURE: 2293000 -8.9655 85.5708 -9.87076 173.787 -315.657 51.344 -12.4996 168.517 -33.7119 PRESSAVG: 2293000 -2.90219 21.4158 19.8827 21.4158 -90.179 42.7802 19.8827 42.7802 43.8574 GPRESSAVG: 2293000 -2.33421 18.0007 20.109 25.0222 -90.7322 41.7629 18.62 43.7504 43.9858 TIMING: 2293000 CPU: 6912.65, 0.00303758/step Wall: 6912.65, 0.00303758/step, 2.28409 hours remaining, 210.683594 MB of memory in use. ENERGY: 2293000 752.5233 2086.3882 1922.2306 104.1191 -205954.4988 17445.8582 0.0000 0.0000 34171.9734 -149471.4060 298.4323 -183643.3794 -149376.6628 298.6183 -154.3491 -119.4449 557835.5519 -16.4079 -16.3602 PRESSURE: 2293200 76.7423 12.7786 105.526 12.7783 -415.045 0.566373 105.527 0.565926 -256.157 GPRESSURE: 2293200 92.8075 85.581 135.161 -95.1333 -359.636 -37.2003 59.9388 71.3459 -219.475 PRESSAVG: 2293200 1.71918 -5.68975 -16.594 -5.68963 1.38441 -22.8269 -16.594 -22.8268 16.9879 GPRESSAVG: 2293200 0.4725 -2.03334 -15.9161 -7.68594 2.5821 -22.7073 -16.1834 -23.6196 16.7958 TIMING: 2293200 CPU: 6913.25, 0.0030212/step Wall: 6913.25, 0.0030212/step, 2.27161 hours remaining, 210.683594 MB of memory in use. ENERGY: 2293200 766.5402 2091.8265 1922.1065 110.1390 -205925.7665 17511.0455 0.0000 0.0000 34176.2145 -149347.8943 298.4694 -183524.1088 -149249.6924 298.8422 -198.1532 -162.1013 557382.0480 6.6972 6.6168 PRESSURE: 2293400 -128.855 12.1052 -126.945 12.1039 96.1233 -8.27879 -126.945 -8.27909 -24.0894 GPRESSURE: 2293400 -51.1208 26.9137 -66.1662 -9.03248 91.6243 -4.58547 -58.0774 49.8192 6.47603 PRESSAVG: 2293400 30.6179 38.7862 24.7729 38.7861 -2.6303 -37.6008 24.7729 -37.6008 27.4718 GPRESSAVG: 2293400 30.9773 38.1733 24.377 37.0503 -2.89105 -36.4798 24.0388 -39.1582 27.4475 TIMING: 2293400 CPU: 6913.86, 0.0030155/step Wall: 6913.86, 0.0030155/step, 2.26715 hours remaining, 210.683594 MB of memory in use. ENERGY: 2293400 743.0053 2054.7045 1943.4583 103.8642 -206557.0209 17956.1902 0.0000 0.0000 34442.7722 -149313.0263 300.7973 -183755.7984 -149215.9947 299.3325 -18.9403 15.6598 557794.7056 18.4865 18.5113 PRESSURE: 2293600 -32.8093 -129.108 21.6422 -129.108 -182.06 -136.341 21.643 -136.339 -49.4346 GPRESSURE: 2293600 -1.52282 -149.521 81.8589 -57.2546 -148.542 -119.049 -39.0405 -137.663 -10.3193 PRESSAVG: 2293600 10.1298 45.2352 13.8959 45.2352 -85.4156 -60.5953 13.896 -60.5954 63.3035 GPRESSAVG: 2293600 10.385 44.4083 13.26 48.1933 -86.3408 -60.3292 13.4196 -60.6955 63.753 TIMING: 2293600 CPU: 6914.46, 0.00303696/step Wall: 6914.46, 0.00303696/step, 2.28312 hours remaining, 210.683594 MB of memory in use. ENERGY: 2293600 747.2721 2059.5748 1935.7021 121.1068 -206013.7178 17719.4763 0.0000 0.0000 34345.9735 -149084.6121 299.9519 -183430.5856 -148985.5669 298.9589 -88.1013 -53.4614 558342.9884 -3.9941 -4.0676 PRESSURE: 2293800 -319.724 70.0599 -31.9315 70.0595 -354.635 72.2773 -31.931 72.279 -263.473 GPRESSURE: 2293800 -263.009 -0.799168 -70.5804 47.5545 -362.309 19.6417 -11.3821 145.379 -213.661 PRESSAVG: 2293800 -23.7023 66.6359 -23.5556 66.636 -42.9849 -19.2775 -23.5555 -19.2774 24.1798 GPRESSAVG: 2293800 -24.4403 67.9839 -22.4035 64.7729 -41.8344 -19.6391 -22.4118 -18.5352 23.4768 TIMING: 2293800 CPU: 6915.07, 0.00302392/step Wall: 6915.07, 0.00302392/step, 2.27315 hours remaining, 210.683594 MB of memory in use. ENERGY: 2293800 757.3524 2036.6915 1934.9082 115.3057 -205655.6544 17375.1865 0.0000 0.0000 34266.9078 -149169.3024 299.2614 -183436.2101 -149071.8988 300.2113 -312.6110 -279.6597 558237.3213 -14.1692 -14.2660 PRESSURE: 2294000 -206.199 -106.895 44.8409 -106.896 -212.361 112.965 44.8412 112.968 153.198 GPRESSURE: 2294000 -166.442 -124.525 76.4825 -130.252 -235.034 80.0787 75.2312 126.114 219.941 PRESSAVG: 2294000 2.27124 -23.0898 74.1537 -23.0898 -5.68544 10.4288 74.1538 10.4288 28.5354 GPRESSAVG: 2294000 2.54781 -24.0529 74.3074 -23.6466 -6.74006 9.61677 73.2489 12.1178 29.225 TIMING: 2294000 CPU: 6915.68, 0.00303611/step Wall: 6915.68, 0.00303611/step, 2.28214 hours remaining, 210.683594 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: 2294000 740.3900 2090.1229 1949.4135 109.6097 -206035.5899 17604.1983 0.0000 0.0000 34457.6330 -149084.2225 300.9271 -183541.8555 -148984.3766 299.8062 -88.4539 -60.5117 557540.3455 8.3737 8.3442 PRESSURE: 2294200 -146.913 37.8543 -71.9984 37.8561 231.054 30.1844 -72.0004 30.1858 -125.775 GPRESSURE: 2294200 -106.709 9.79422 -216.925 42.621 212.399 -26.692 -37.9185 27.3548 -41.6296 PRESSAVG: 2294200 -14.6187 -11.986 37.6327 -11.986 -50.7884 16.7608 37.6327 16.7609 36.9405 GPRESSAVG: 2294200 -15.4044 -14.0781 36.8788 -9.91453 -48.6797 16.7626 37.4928 15.1479 36.4943 TIMING: 2294200 CPU: 6916.28, 0.00301135/step Wall: 6916.28, 0.00301135/step, 2.26337 hours remaining, 210.945312 MB of memory in use. ENERGY: 2294200 772.4431 2120.0858 1937.0259 126.0383 -206288.7504 17882.9929 0.0000 0.0000 34490.4399 -148959.7246 301.2136 -183450.1645 -148856.1680 298.9327 -13.8781 21.3533 557046.2282 -9.4889 -9.1966 PRESSURE: 2294400 112.454 12.2657 114.804 12.2643 121.169 49.7469 114.804 49.7475 132.903 GPRESSURE: 2294400 109.457 124.154 57.914 30.7811 136.758 43.4634 117.371 26.1741 216.181 PRESSAVG: 2294400 19.2102 25.3927 34.7685 25.3927 4.17562 -33.6165 34.7686 -33.6164 25.8997 GPRESSAVG: 2294400 20.0917 26.1899 33.4326 25.3243 3.35965 -31.2851 36.3072 -35.1512 26.0897 TIMING: 2294400 CPU: 6916.88, 0.00301807/step Wall: 6916.88, 0.00301807/step, 2.26825 hours remaining, 210.945312 MB of memory in use. ENERGY: 2294400 718.5581 2113.0474 1922.3362 113.9365 -206273.8858 17813.8668 0.0000 0.0000 34392.5288 -149199.6119 300.3585 -183592.1407 -149108.0378 298.5312 122.1752 154.1321 556603.7925 16.4285 16.5137 PRESSURE: 2294600 62.5626 113.498 36.1216 113.498 62.1373 90.0333 36.1206 90.0333 -277.44 GPRESSURE: 2294600 46.0021 156.391 32.5602 100.733 82.6197 134.001 54.8282 38.6788 -188.152 PRESSAVG: 2294600 -28.0124 4.06478 98.551 4.06479 3.29748 11.2499 98.5509 11.2499 -39.1612 GPRESSAVG: 2294600 -28.3498 5.02454 100.4 2.75957 2.88074 9.71448 98.471 11.9479 -38.5635 TIMING: 2294600 CPU: 6917.49, 0.00303065/step Wall: 6917.49, 0.00303065/step, 2.27753 hours remaining, 210.945312 MB of memory in use. ENERGY: 2294600 765.6257 2074.9294 1933.2152 108.0238 -206283.8896 17925.6018 0.0000 0.0000 34201.4803 -149275.0135 298.6900 -183476.4938 -149178.7663 298.8972 -50.9133 -19.8435 558456.1822 -21.2920 -21.3442 PRESSURE: 2294800 117.709 -130.434 167.925 -130.434 -421.138 17.9945 167.925 17.9945 -127.062 GPRESSURE: 2294800 67.7209 -69.3217 185.06 -121.572 -363.593 19.0509 91.1672 -18.0679 -48.6467 PRESSAVG: 2294800 -40.3131 -16.42 67.1886 -16.42 53.1188 -10.2079 67.1885 -10.2079 -23.7234 GPRESSAVG: 2294800 -41.0361 -16.316 66.3089 -15.2893 52.4655 -9.86024 65.7565 -9.74529 -22.2103 TIMING: 2294800 CPU: 6918.1, 0.00304341/step Wall: 6918.1, 0.00304341/step, 2.28695 hours remaining, 210.945312 MB of memory in use. ENERGY: 2294800 744.7893 2067.7290 1952.2431 118.6397 -205822.9218 17560.7511 0.0000 0.0000 34265.3499 -149113.4198 299.2478 -183378.7697 -149017.7454 298.9557 -143.4970 -114.8397 558040.1286 -3.6392 -3.5936 PRESSURE: 2295000 58.0309 126.751 -47.7708 126.751 -61.5624 -79.6401 -47.7701 -79.6406 77.3419 GPRESSURE: 2295000 110.603 151.733 7.7174 82.0344 8.65647 -30.2612 -71.6296 -89.2195 62.8331 PRESSAVG: 2295000 -19.8135 -49.6966 43.0253 -49.6966 61.9191 2.26867 43.0253 2.26867 -33.3593 GPRESSAVG: 2295000 -19.5614 -50.8839 42.2906 -49.6003 62.7292 1.80164 42.1697 2.07943 -34.7016 TIMING: 2295000 CPU: 6918.7, 0.00304102/step Wall: 6918.7, 0.00304102/step, 2.28499 hours remaining, 210.945312 MB of memory in use. ENERGY: 2295000 722.8305 2071.1419 1942.9391 114.0288 -206042.3880 17747.7705 0.0000 0.0000 34506.9655 -148936.7116 301.3579 -183443.6771 -148838.6876 299.8092 24.6035 60.6974 556495.9862 2.9154 2.8221 PRESSURE: 2295200 83.6887 144.257 13.553 144.257 50.3867 -132.265 13.5519 -132.266 -37.248 GPRESSURE: 2295200 46.2843 193.176 105.265 69.1588 93.4329 -117.026 -61.6263 -198.798 48.466 PRESSAVG: 2295200 6.49463 19.4939 29.4675 19.494 9.91962 21.8724 29.4675 21.8723 -31.1473 GPRESSAVG: 2295200 7.72207 18.4858 29.5834 20.5052 9.48603 21.8687 33.5558 21.8895 -31.5667 TIMING: 2295200 CPU: 6919.31, 0.00303859/step Wall: 6919.31, 0.00303859/step, 2.28299 hours remaining, 210.945312 MB of memory in use. ENERGY: 2295200 759.3317 2092.9618 1962.9212 103.6731 -206401.3791 17886.4734 0.0000 0.0000 34557.6419 -149038.3759 301.8005 -183596.0178 -148938.0693 300.1893 32.2758 62.7277 557179.5107 -4.9110 -4.7862 PRESSURE: 2295400 -134.615 -91.33 78.4609 -91.3307 -31.1427 -4.21132 78.4604 -4.21137 -118.862 GPRESSURE: 2295400 -86.6906 -51.112 86.9698 -109.262 -67.5138 54.9931 155.51 -46.3173 -33.7839 PRESSAVG: 2295400 -16.4984 -54.2727 -25.9623 -54.2727 28.5105 31.403 -25.9622 31.403 -12.0717 GPRESSAVG: 2295400 -16.6659 -52.8581 -25.9076 -55.4069 27.9402 31.7035 -27.3566 30.1056 -10.9946 TIMING: 2295400 CPU: 6919.92, 0.00303836/step Wall: 6919.92, 0.00303836/step, 2.28265 hours remaining, 210.945312 MB of memory in use. ENERGY: 2295400 728.5144 2128.6989 1938.2885 118.4658 -205820.8988 17602.6413 0.0000 0.0000 34229.4374 -149074.8524 298.9342 -183304.2898 -148972.2302 300.0822 -94.8731 -62.6628 558615.0511 -0.0199 0.0932 PRESSURE: 2295600 207.583 101.908 -5.04901 101.907 -98.8392 38.0298 -5.04775 38.0297 395.789 GPRESSURE: 2295600 202.51 158.839 -89.7826 54.4529 -19.9723 116.594 -41.6427 29.6813 413.791 PRESSAVG: 2295600 -12.7534 -8.47139 -10.0643 -8.47136 12.9964 -0.794243 -10.0644 -0.794226 -11.6491 GPRESSAVG: 2295600 -12.062 -9.1017 -10.4116 -9.71603 13.8317 1.04415 -9.98253 -0.903042 -13.1174 TIMING: 2295600 CPU: 6920.53, 0.00303696/step Wall: 6920.53, 0.00303696/step, 2.28143 hours remaining, 211.082031 MB of memory in use. ENERGY: 2295600 724.8725 2053.2180 1944.6774 105.8266 -206565.9920 18188.0683 0.0000 0.0000 34659.9402 -148889.3891 302.6939 -183549.3292 -148785.8838 300.0540 168.1776 198.7762 557947.8853 -3.8020 -3.7825 PRESSURE: 2295800 8.67527 24.6796 74.3621 24.6784 111.471 3.16155 74.3609 3.16304 -288.55 GPRESSURE: 2295800 54.6274 -0.00582294 117.708 77.5701 105.654 -12.1563 32.5995 -5.76933 -225.175 PRESSAVG: 2295800 43.444 9.52472 33.7636 9.5247 -60.4677 -37.6168 33.7636 -37.6167 37.8114 GPRESSAVG: 2295800 42.5782 9.60633 35.1208 11.5399 -59.4253 -38.535 32.9551 -34.3055 38.26 TIMING: 2295800 CPU: 6921.14, 0.00305886/step Wall: 6921.14, 0.00305886/step, 2.29772 hours remaining, 211.082031 MB of memory in use. ENERGY: 2295800 760.0943 2117.0516 1923.8995 108.2966 -206218.7913 17759.4363 0.0000 0.0000 34476.0080 -149074.0050 301.0876 -183550.0130 -148979.6372 301.0235 -56.1345 -21.6309 557565.4891 6.9292 7.1376 PRESSURE: 2296000 -180.178 -39.9758 -29.5568 -39.9756 266.958 23.6366 -29.5579 23.6377 -249.488 GPRESSURE: 2296000 -55.0283 17.2024 -24.9281 -139.871 234.925 3.77214 6.91293 75.1893 -240.638 PRESSAVG: 2296000 29.8157 6.48223 80.3496 6.48226 23.021 -18.7454 80.3496 -18.7454 -44.7095 GPRESSAVG: 2296000 31.2995 7.66208 79.954 4.69461 22.0586 -20.1435 80.2012 -21.5332 -45.0099 TIMING: 2296000 CPU: 6921.74, 0.00301744/step Wall: 6921.74, 0.00301744/step, 2.26644 hours remaining, 211.082031 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: 2296000 715.6035 2131.3121 1957.6989 108.0083 -206063.4960 17637.4932 0.0000 0.0000 34251.4336 -149261.9463 299.1263 -183513.3800 -149167.8584 299.8122 -54.2357 -20.2469 557396.9256 2.7091 2.7827 PRESSURE: 2296200 84.0013 219.108 24.4464 219.106 61.0251 31.9583 24.4467 31.9593 -282.385 GPRESSURE: 2296200 39.4099 219.327 -23.7633 217.642 81.3482 79.1014 109.072 -64.4665 -161.431 PRESSAVG: 2296200 -52.7602 -13.5996 7.19044 -13.5995 55.2559 15.9198 7.19046 15.9198 -4.18684 GPRESSAVG: 2296200 -53.6654 -14.5704 5.50829 -13.3463 54.8265 18.4592 7.56572 15.8162 -2.99313 TIMING: 2296200 CPU: 6922.35, 0.00302103/step Wall: 6922.35, 0.00302103/step, 2.26896 hours remaining, 211.082031 MB of memory in use. ENERGY: 2296200 748.5060 2084.4857 1974.5384 113.5221 -206170.3927 17829.1070 0.0000 0.0000 34218.5791 -149201.6543 298.8394 -183420.2334 -149106.1022 299.1699 -45.7862 -13.5577 557848.4398 -0.5637 -0.6107 LDB: ============= START OF LOAD BALANCING ============== 6925.86 LDB: ============== END OF LOAD BALANCING =============== 6925.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6925.87 LDB: ============= START OF LOAD BALANCING ============== 6926.17 LDB: Largest compute 4800 load 0.029847 is 25.3% of average load 0.118064 LDB: Average compute 0.001726 is 1.5% of average load 0.118064 LDB: TIME 6926.17 LOAD: AVG 0.118064 MAX 0.211099 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.098 MB LDB: TIME 6926.17 LOAD: AVG 0.118064 MAX 0.211099 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.098 MB LDB: TIME 6926.17 LOAD: AVG 0.118064 MAX 0.211099 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.098 MB LDB: ============== END OF LOAD BALANCING =============== 6926.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6926.18 PRESSURE: 2296400 -206.538 -33.9289 58.7888 -33.9269 -62.9347 -111.763 58.7891 -111.763 -111.556 GPRESSURE: 2296400 -184.07 67.1254 157.17 -82.0623 -32.4169 -103.206 9.71873 -40.8546 -68.4975 PRESSAVG: 2296400 8.73666 51.4999 -53.8207 51.4999 -11.3121 -10.0947 -53.8207 -10.0947 4.89878 GPRESSAVG: 2296400 7.82139 51.0333 -52.2097 51.5976 -9.84612 -11.9712 -55.1171 -8.93392 4.70837 TIMING: 2296400 CPU: 6922.96, 0.00307634/step Wall: 6922.96, 0.00307634/step, 2.31033 hours remaining, 210.742188 MB of memory in use. ENERGY: 2296400 751.5145 2114.3528 1962.0087 97.9298 -206061.9436 17615.6347 0.0000 0.0000 34245.6770 -149274.8261 299.0760 -183520.5031 -149180.9609 299.3020 -127.0097 -94.9947 557164.4818 0.7744 0.8945 PRESSURE: 2296600 -85.0897 153.669 -51.1642 153.67 33.3733 -110.216 -51.1624 -110.216 -24.5371 GPRESSURE: 2296600 -44.952 130.033 -8.65073 98.9064 43.2169 -81.5952 -140.121 -161.531 22.7617 PRESSAVG: 2296600 5.32072 43.3382 -35.4783 43.3381 14.9191 -27.0787 -35.4783 -27.0787 10.63 GPRESSAVG: 2296600 7.41034 46.023 -36.8586 42.7395 13.3123 -23.1148 -33.3408 -27.1263 10.362 TIMING: 2296600 CPU: 6923.56, 0.00300725/step Wall: 6923.56, 0.00300725/step, 2.25828 hours remaining, 210.812500 MB of memory in use. ENERGY: 2296600 727.6065 2106.1980 1951.0442 108.7444 -205938.5868 17610.8881 0.0000 0.0000 34166.8479 -149267.2576 298.3876 -183434.1055 -149173.5496 299.2034 -25.4178 7.0089 557549.7394 10.2899 10.3615 PRESSURE: 2296800 -39.9168 31.1227 -188.5 31.1227 88.7616 -83.8153 -188.5 -83.8139 -8.38738 GPRESSURE: 2296800 28.9129 40.2715 -216.866 -7.559 75.8381 -122.035 -131.022 -35.8996 37.6381 PRESSAVG: 2296800 13.3665 26.4063 -21.3612 26.4063 4.9716 -20.884 -21.3612 -20.8841 -8.93558 GPRESSAVG: 2296800 11.9387 24.8727 -21.5464 27.2979 5.86305 -24.8815 -22.0383 -19.9071 -8.45117 TIMING: 2296800 CPU: 6924.17, 0.00304029/step Wall: 6924.17, 0.00304029/step, 2.28292 hours remaining, 210.812500 MB of memory in use. ENERGY: 2296800 745.7546 2047.9494 1940.1925 115.0302 -206191.9568 17767.1849 0.0000 0.0000 34267.5640 -149308.2812 299.2672 -183575.8452 -149213.1887 299.0932 13.4858 47.4630 557825.4144 3.1342 3.1169 PRESSURE: 2297000 -301.843 -64.298 -36.7423 -64.2986 -40.7149 43.0285 -36.742 43.029 46.7245 GPRESSURE: 2297000 -247.968 -55.4685 -31.1606 -104.45 -18.1614 -70.5788 -3.69546 127.251 60.6884 PRESSAVG: 2297000 -26.7852 -9.2359 -55.8824 -9.23588 28.6694 -4.21661 -55.8823 -4.21667 -6.63104 GPRESSAVG: 2297000 -25.9832 -10.2929 -53.2582 -8.62324 28.3637 -2.17825 -59.0267 -6.65967 -6.5947 TIMING: 2297000 CPU: 6924.78, 0.00306046/step Wall: 6924.78, 0.00306046/step, 2.2979 hours remaining, 210.812500 MB of memory in use. ENERGY: 2297000 757.1083 2088.5518 1924.1161 113.8679 -206203.7800 17686.6024 0.0000 0.0000 34217.9846 -149415.5488 298.8342 -183633.5334 -149321.9602 299.1772 -98.6112 -68.4804 556950.7966 -1.5823 -1.4048 PRESSURE: 2297200 -9.32887 100.047 -20.0958 100.049 -256.054 107.883 -20.095 107.885 4.57583 GPRESSURE: 2297200 32.8183 164.428 -97.96 175.406 -177.206 23.4094 -7.92991 32.2815 -31.0814 PRESSAVG: 2297200 -66.4822 -6.5757 -38.2318 -6.57575 -1.91798 4.781 -38.2317 4.78103 43.3565 GPRESSAVG: 2297200 -66.3264 -4.89352 -39.4128 -8.10322 -1.15537 4.03906 -36.1719 6.08676 42.9318 TIMING: 2297200 CPU: 6925.39, 0.00304447/step Wall: 6925.39, 0.00304447/step, 2.28572 hours remaining, 210.812500 MB of memory in use. ENERGY: 2297200 781.5829 2120.3865 1890.2081 103.2730 -205817.4129 17644.7501 0.0000 0.0000 34042.0918 -149235.1204 297.2981 -183277.2122 -149137.1538 299.6645 -86.9357 -58.4896 558139.7014 -8.3479 -8.1833 PRESSURE: 2297400 -359.467 -72.7327 173.709 -72.733 102.505 -128.835 173.707 -128.835 -305.49 GPRESSURE: 2297400 -307.119 -0.515514 163.807 -28.179 75.6431 -117.632 202.538 -159.901 -243.948 PRESSAVG: 2297400 11.9218 21.8143 -3.245 21.8143 20.9804 17.113 -3.24527 17.113 -30.5681 GPRESSAVG: 2297400 12.9953 20.2162 -3.35755 22.6857 20.8405 18.1299 -3.20236 17.0206 -31.3014 TIMING: 2297400 CPU: 6926, 0.00305908/step Wall: 6926, 0.00305908/step, 2.29652 hours remaining, 210.812500 MB of memory in use. ENERGY: 2297400 769.7186 2055.7657 1919.5773 124.5653 -206196.5450 17748.8473 0.0000 0.0000 34338.7125 -149239.3581 299.8885 -183578.0706 -149139.1608 299.2526 -187.4839 -158.4744 557076.8347 0.7780 0.8448 PRESSURE: 2297600 72.7199 195.721 14.3723 195.721 -1.70281 15.6871 14.3728 15.6881 -22.507 GPRESSURE: 2297600 78.7213 205.443 123.125 155.227 33.7637 -42.1867 -12.8954 84.8248 42.5958 PRESSAVG: 2297600 4.24512 19.7142 -20.6201 19.7143 1.99294 -7.07849 -20.6201 -7.0784 -44.4014 GPRESSAVG: 2297600 3.44663 20.6039 -21.8572 18.8843 1.94715 -8.61783 -20.0655 -7.77683 -43.4994 TIMING: 2297600 CPU: 6926.62, 0.00305915/step Wall: 6926.62, 0.00305915/step, 2.2964 hours remaining, 210.812500 MB of memory in use. ENERGY: 2297600 762.7249 2069.6168 1905.6110 116.2452 -206257.4676 17915.9596 0.0000 0.0000 34238.0271 -149249.2830 299.0092 -183487.3101 -149149.6918 299.2377 16.1700 51.6936 557805.3978 -12.7211 -12.7019 PRESSURE: 2297800 -145.298 149.926 -56.5628 149.926 -114.67 -64.7662 -56.563 -64.7657 -122.73 GPRESSURE: 2297800 -153.683 231.091 -63.2438 65.6062 -109.082 12.6136 -58.8027 -104.43 -32.788 PRESSAVG: 2297800 -16.482 50.8698 -1.52677 50.8697 -12.8446 6.92224 -1.52681 6.92217 40.0585 GPRESSAVG: 2297800 -15.3982 50.9071 -0.962936 49.2465 -13.0909 7.74808 -2.55488 8.06853 39.3015 TIMING: 2297800 CPU: 6927.23, 0.00304544/step Wall: 6927.23, 0.00304544/step, 2.28594 hours remaining, 210.812500 MB of memory in use. ENERGY: 2297800 706.9887 2159.7909 1948.5180 113.2155 -205985.5604 17561.0132 0.0000 0.0000 34166.3703 -149329.6638 298.3834 -183496.0341 -149236.2782 298.9863 -127.5658 -98.5175 558031.6286 3.5773 3.6041 PRESSURE: 2298000 30.0622 -72.0507 17.9519 -72.0507 -132.6 -11.0677 17.9526 -11.0682 -213.342 GPRESSURE: 2298000 54.627 -55.5534 37.6605 -81.439 -118.003 -85.1039 -27.7008 92.0052 -157.92 PRESSAVG: 2298000 38.1244 19.5613 9.80061 19.5613 29.9932 -8.66524 9.80059 -8.66526 -43.0165 GPRESSAVG: 2298000 37.1229 18.8981 10.5007 22.0546 30.3637 -9.92814 8.55739 -10.1759 -42.48 TIMING: 2298000 CPU: 6927.83, 0.00302955/step Wall: 6927.83, 0.00302955/step, 2.27384 hours remaining, 210.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2298000 756.9415 2093.8299 1906.8405 99.8641 -205928.2688 17628.2395 0.0000 0.0000 34139.3434 -149303.2098 298.1474 -183442.5532 -149211.3814 298.9369 -105.2934 -73.7655 555862.6170 8.3670 8.3355 PRESSURE: 2298200 44.6707 -90.8671 -49.4904 -90.8673 -39.2926 108.469 -49.4901 108.465 116.591 GPRESSURE: 2298200 81.6441 -170.093 -111.657 -15.8656 9.88767 148.571 -19.6543 -1.74964 114.612 PRESSAVG: 2298200 11.8728 -29.9729 -22.73 -29.973 -95.5909 -14.9803 -22.7299 -14.9803 11.6437 GPRESSAVG: 2298200 13.1886 -31.4184 -24.0127 -31.1068 -95.7516 -15.1728 -20.1721 -12.7903 10.3995 TIMING: 2298200 CPU: 6928.44, 0.00304277/step Wall: 6928.44, 0.00304277/step, 2.2836 hours remaining, 210.882812 MB of memory in use. ENERGY: 2298200 719.7190 2074.9198 1944.6039 97.3071 -206296.2416 17792.7295 0.0000 0.0000 34329.2302 -149337.7320 299.8057 -183666.9623 -149239.5152 299.7319 40.6562 68.7146 555879.7848 -24.0248 -24.0545 PRESSURE: 2298400 -139.914 -44.4463 -82.5283 -44.4472 193.398 -29.9823 -82.529 -29.984 -146.727 GPRESSURE: 2298400 -149.552 -104.104 -77.2677 13.9713 237.358 46.7129 -78.3617 -147.955 -94.7085 PRESSAVG: 2298400 -7.54237 3.69608 -46.8123 3.69614 61.1566 -23.5537 -46.8124 -23.5538 -48.4966 GPRESSAVG: 2298400 -7.99744 5.27641 -47.3362 5.44076 61.1815 -23.1776 -47.7558 -23.9762 -47.5481 TIMING: 2298400 CPU: 6929.05, 0.00304031/step Wall: 6929.05, 0.00304031/step, 2.28158 hours remaining, 210.882812 MB of memory in use. ENERGY: 2298400 737.5853 2101.0068 1929.3864 110.4745 -206215.9635 17735.1983 0.0000 0.0000 34252.4700 -149349.8421 299.1353 -183602.3122 -149250.5603 298.9941 -31.0811 -2.3009 555937.2749 1.7059 1.8787 PRESSURE: 2298600 -179.811 -55.783 60.0356 -55.7833 86.1078 142.002 60.0368 142.002 -126.563 GPRESSURE: 2298600 -147.712 -66.9846 89.6496 -4.49004 128.774 115.512 88.6734 220.419 -98.7871 PRESSAVG: 2298600 -17.0537 -32.1303 -53.3278 -32.1303 92.8029 9.98424 -53.3278 9.98432 -40.8806 GPRESSAVG: 2298600 -16.2891 -31.2963 -52.5595 -33.9702 91.9656 12.2376 -52.1004 8.4278 -40.9226 TIMING: 2298600 CPU: 6929.65, 0.00302634/step Wall: 6929.65, 0.00302634/step, 2.27093 hours remaining, 210.882812 MB of memory in use. ENERGY: 2298600 769.7225 2085.7291 1930.0685 110.5653 -205888.8770 17606.1631 0.0000 0.0000 34088.5541 -149298.0742 297.7038 -183386.6283 -149201.6018 299.1652 -73.4220 -39.2419 556768.6750 11.6229 11.5846 PRESSURE: 2298800 -120.536 -57.8975 -36.256 -57.897 -436.742 132.631 -36.2549 132.631 -26.4043 GPRESSURE: 2298800 -117.422 -98.793 -108.438 -55.9512 -423.063 42.6217 -49.8158 170.271 59.0736 PRESSAVG: 2298800 -41.9435 29.691 3.28168 29.691 79.9433 8.97087 3.28169 8.97085 12.3374 GPRESSAVG: 2298800 -42.2892 28.6027 3.8906 30.6994 80.3187 8.7601 3.59058 10.1321 12.4789 TIMING: 2298800 CPU: 6930.26, 0.00301448/step Wall: 6930.26, 0.00301448/step, 2.26186 hours remaining, 210.882812 MB of memory in use. ENERGY: 2298800 768.6420 2142.7757 1963.1642 101.4058 -205789.3289 17482.8130 0.0000 0.0000 34032.0877 -149298.4404 297.2107 -183330.5282 -149205.5113 299.6204 -194.5608 -160.4708 558428.3878 16.7791 16.8361 PRESSURE: 2299000 144.874 32.322 33.2528 32.3214 -132.227 -20.6873 33.2523 -20.6888 185.331 GPRESSURE: 2299000 161.355 49.7108 37.4659 14.0021 -107.941 16.8232 -43.5453 -11.1902 236.341 PRESSAVG: 2299000 19.9994 -29.0211 -34.9585 -29.0211 -44.7237 0.186514 -34.9585 0.186458 52.0759 GPRESSAVG: 2299000 18.6782 -30.0551 -36.1133 -29.4804 -44.3128 0.115175 -35.5946 0.235774 53.1523 TIMING: 2299000 CPU: 6930.86, 0.00300739/step Wall: 6930.86, 0.00300739/step, 2.25638 hours remaining, 210.882812 MB of memory in use. ENERGY: 2299000 740.9648 2118.4446 1950.8499 104.5546 -206683.8369 17984.1242 0.0000 0.0000 34216.0160 -149568.8829 298.8170 -183784.8989 -149470.1258 299.7730 65.9927 96.5854 557482.5103 9.1172 9.1726 PRESSURE: 2299200 -259.788 -146.028 -81.0338 -146.027 -129.705 221.017 -81.0335 221.017 -366.342 GPRESSURE: 2299200 -260.875 -124.379 -16.9737 -207.201 -89.3808 87.8059 -42.4224 290.231 -315.65 PRESSAVG: 2299200 29.039 30.1729 -3.52295 30.1729 0.215061 33.252 -3.52283 33.2521 -42.5115 GPRESSAVG: 2299200 30.1621 30.3402 0.0770378 28.9209 0.375076 32.7475 -2.90248 33.1672 -43.0247 TIMING: 2299200 CPU: 6931.46, 0.00302249/step Wall: 6931.46, 0.00302249/step, 2.26754 hours remaining, 210.882812 MB of memory in use. ENERGY: 2299200 746.3154 2045.9025 1916.4186 101.8377 -206348.4611 17613.7480 0.0000 0.0000 34230.8561 -149693.3828 298.9466 -183924.2389 -149595.8793 297.8997 -251.9448 -221.9687 558651.8643 -4.4191 -4.1625 PRESSURE: 2299400 -39.6587 -136.531 -8.67384 -136.532 -75.9335 -36.7097 -8.67324 -36.7114 -20.325 GPRESSURE: 2299400 21.6753 -195.302 -24.553 -159.151 -39.8467 -23.9167 1.60624 -23.4459 -16.0977 PRESSAVG: 2299400 37.7909 -24.917 -1.58883 -24.917 58.923 -8.14339 -1.58871 -8.14347 -51.4069 GPRESSAVG: 2299400 37.615 -23.5418 -3.52338 -22.3786 59.5097 -7.77875 -2.69639 -8.28279 -51.9177 TIMING: 2299400 CPU: 6932.07, 0.00302079/step Wall: 6932.07, 0.00302079/step, 2.2661 hours remaining, 210.882812 MB of memory in use. ENERGY: 2299400 722.4842 2047.4053 1919.3482 106.3474 -206658.9571 17736.7634 0.0000 0.0000 34338.2406 -149788.3680 299.8844 -184126.6086 -149682.0012 298.0333 -45.3057 -11.4230 557030.9477 15.1023 15.0690 PRESSURE: 2299600 -129.431 145.877 -7.96326 145.876 92.6566 -35.8143 -7.96457 -35.8134 26.5176 GPRESSURE: 2299600 -115.445 101.737 32.3804 109.874 117.735 -25.3045 -47.184 43.9533 83.3263 PRESSAVG: 2299600 9.65034 -50.5869 -9.7555 -50.5869 7.12774 -36.0633 -9.75556 -36.0634 -32.0693 GPRESSAVG: 2299600 9.47076 -50.5292 -8.12196 -51.935 7.12131 -35.0539 -10.0166 -35.0419 -31.8673 TIMING: 2299600 CPU: 6932.67, 0.00302331/step Wall: 6932.67, 0.00302331/step, 2.26782 hours remaining, 210.882812 MB of memory in use. ENERGY: 2299600 725.6760 2085.7216 1945.2347 109.6084 -206806.4153 17948.4715 0.0000 0.0000 34237.8324 -149753.8707 299.0075 -183991.7031 -149664.5734 297.8319 -3.4190 28.5386 556806.5446 -5.0971 -5.0917 PRESSURE: 2299800 -170.991 159.753 73.3665 159.754 -43.9998 -135.755 73.3653 -135.756 86.2355 GPRESSURE: 2299800 -161.603 131.928 96.2806 189.509 -3.08361 -105.978 -24.7799 -168.049 152.151 PRESSAVG: 2299800 -18.9622 41.2591 -13.9899 41.2591 34.5224 15.1065 -13.9899 15.1064 9.80122 GPRESSAVG: 2299800 -19.6414 37.913 -14.5214 42.569 34.9592 14.7004 -14.6865 14.308 10.1774 TIMING: 2299800 CPU: 6933.28, 0.0030222/step Wall: 6933.28, 0.0030222/step, 2.26682 hours remaining, 210.882812 MB of memory in use. ENERGY: 2299800 741.4544 2071.0849 1910.5181 119.5511 -206689.4273 17818.3411 0.0000 0.0000 34431.3852 -149597.0925 300.6979 -184028.4776 -149498.5610 298.3741 -42.9184 -4.1784 557086.5873 8.4538 8.4984 PRESSURE: 2300000 56.3964 -91.035 0.636043 -91.0347 -31.5838 -58.0478 0.635757 -58.0493 138.659 GPRESSURE: 2300000 83.2277 -40.8228 -97.5 -21.0552 -15.4016 -33.4011 55.6632 -144.026 190.124 PRESSAVG: 2300000 -20.7695 17.9529 -17.0632 17.9529 -72.0194 -43.0161 -17.0631 -43.0161 116.772 GPRESSAVG: 2300000 -19.4543 20.0754 -17.159 17.8917 -72.7312 -44.3945 -14.4325 -41.4277 116.46 TIMING: 2300000 CPU: 6933.89, 0.00304853/step Wall: 6933.89, 0.00304853/step, 2.2864 hours remaining, 210.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2300000 747.6868 2127.3905 1920.9340 108.7983 -206355.2697 17838.2002 0.0000 0.0000 33995.1257 -149617.1342 296.8879 -183612.2599 -149523.7745 298.6404 54.4905 85.9834 556220.2374 7.9942 8.0915 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2300000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 2300000 WRITING COORDINATES TO RESTART FILE AT STEP 2300000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2300000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2300200 228.304 -228.835 111.703 -228.836 178.961 51.4506 111.704 51.4511 -104.893 GPRESSURE: 2300200 261.501 -254.249 102.073 -136.465 223.672 -15.8293 155.275 49.1936 -86.6147 PRESSAVG: 2300200 26.3235 -3.61728 -33.4721 -3.61728 -44.401 16.6281 -33.4721 16.6281 -26.6107 GPRESSAVG: 2300200 25.8062 -1.9998 -34.3372 -2.04549 -44.238 15.2913 -36.0559 17.1952 -26.4121 TIMING: 2300200 CPU: 6934.5, 0.0030845/step Wall: 6934.5, 0.0030845/step, 2.3132 hours remaining, 211.007812 MB of memory in use. ENERGY: 2300200 767.8505 2069.6885 1927.9151 115.6247 -206461.0507 17847.0977 0.0000 0.0000 34058.9288 -149673.9454 297.4451 -183732.8742 -149576.4816 297.6879 100.7903 132.8527 554255.9247 -14.8961 -14.9480 LDB: ============= START OF LOAD BALANCING ============== 6938.02 LDB: ============== END OF LOAD BALANCING =============== 6938.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6938.02 LDB: ============= START OF LOAD BALANCING ============== 6938.32 LDB: Largest compute 4772 load 0.031004 is 26.3% of average load 0.118047 LDB: Average compute 0.001733 is 1.5% of average load 0.118047 LDB: TIME 6938.32 LOAD: AVG 0.118047 MAX 0.205075 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.488 MB LDB: TIME 6938.32 LOAD: AVG 0.118047 MAX 0.205075 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.488 MB LDB: TIME 6938.32 LOAD: AVG 0.118047 MAX 0.205075 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.488 MB LDB: ============== END OF LOAD BALANCING =============== 6938.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6938.33 PRESSURE: 2300400 6.49974 -118.239 -12.5666 -118.238 120.359 -84.5868 -12.5672 -84.5854 -201.467 GPRESSURE: 2300400 28.6904 -70.0669 -3.68886 -103.829 176.662 -77.2592 -4.42409 -145.806 -182.702 PRESSAVG: 2300400 10.0603 -15.1166 2.2833 -15.1166 79.8608 -34.2951 2.28335 -34.2952 -49.6811 GPRESSAVG: 2300400 10.7257 -15.8038 0.326491 -17.3524 79.6415 -33.2684 3.44936 -34.5706 -50.4497 TIMING: 2300400 CPU: 6935.11, 0.00305829/step Wall: 6935.11, 0.00305829/step, 2.29338 hours remaining, 209.933594 MB of memory in use. ENERGY: 2300400 768.3497 2064.6705 1924.6159 112.2454 -206473.7373 17736.5479 0.0000 0.0000 34123.4470 -149743.8608 298.0085 -183867.3078 -149647.5919 297.7269 -24.8693 7.5503 556467.7027 13.4133 13.3058 PRESSURE: 2300600 -25.4573 -97.7224 -62.7017 -97.7214 -2.90879 -134.032 -62.7025 -134.033 -299.94 GPRESSURE: 2300600 -17.2945 -38.3906 -47.7882 -64.4579 75.4556 -126.33 -25.9581 -82.9571 -288.19 PRESSAVG: 2300600 -16.05 -37.8556 -8.34968 -37.8556 53.8285 -6.24879 -8.34966 -6.24879 -13.4717 GPRESSAVG: 2300600 -17.0975 -38.1121 -5.11699 -37.3548 54.2268 -5.78911 -10.2779 -7.21749 -12.9604 TIMING: 2300600 CPU: 6935.71, 0.0029839/step Wall: 6935.71, 0.0029839/step, 2.23743 hours remaining, 210.136719 MB of memory in use. ENERGY: 2300600 744.8651 2053.8541 1932.3199 103.3350 -206171.7765 17635.8725 0.0000 0.0000 34101.2530 -149600.2768 297.8147 -183701.5298 -149503.2412 298.1768 -109.4354 -76.6765 556283.9877 8.1023 8.0563 PRESSURE: 2300800 -319.695 176.186 66.6082 176.187 -144.379 178.475 66.6083 178.476 -221.811 GPRESSURE: 2300800 -282.624 178.679 59.9895 127.177 -87.7205 278.82 60.1138 127.575 -218.718 PRESSAVG: 2300800 -45.4026 -9.05383 -4.17997 -9.05385 74.4498 -20.2158 -4.17999 -20.2158 -11.6479 GPRESSAVG: 2300800 -45.4246 -8.49876 -4.28494 -9.21761 75.6538 -19.4668 -2.02009 -20.1424 -12.5799 TIMING: 2300800 CPU: 6936.31, 0.00297552/step Wall: 6936.31, 0.00297552/step, 2.23098 hours remaining, 210.265625 MB of memory in use. ENERGY: 2300800 749.5049 2126.2606 1913.5920 120.5174 -205646.1054 17244.9232 0.0000 0.0000 34068.3274 -149422.9798 297.5272 -183491.3073 -149321.0621 298.1583 -228.6287 -196.3541 556276.6638 5.7998 5.8831 PRESSURE: 2301000 -19.1085 36.9045 102.654 36.9045 -7.05949 -16.1347 102.655 -16.1345 47.6518 GPRESSURE: 2301000 17.676 -59.7065 180.398 40.6485 -26.7371 -32.9273 48.3431 -75.245 120.43 PRESSAVG: 2301000 -62.852 11.6104 -0.0436286 11.6105 30.8483 28.7768 -0.0436633 28.7768 42.931 GPRESSAVG: 2301000 -62.5094 9.47748 -0.638274 12.082 29.824 27.1532 -1.71313 28.234 43.4887 TIMING: 2301000 CPU: 6936.91, 0.00300685/step Wall: 6936.91, 0.00300685/step, 2.2543 hours remaining, 210.265625 MB of memory in use. ENERGY: 2301000 768.5115 2135.4697 1925.8870 109.7303 -206092.0156 17701.4435 0.0000 0.0000 34158.9640 -149292.0095 298.3187 -183450.9735 -149198.6026 298.9794 7.1613 37.1230 555862.7448 3.6424 3.6011 PRESSURE: 2301200 -434.917 67.5421 -27.6597 67.5417 -119.938 -97.6645 -27.66 -97.6651 -19.6381 GPRESSURE: 2301200 -417.23 92.3067 -91.5997 66.9512 -89.5636 -75.128 18.2923 -176.644 25.2816 PRESSAVG: 2301200 18.2323 -20.8337 8.72612 -20.8337 -25.7235 -5.56101 8.72608 -5.56106 0.0919083 GPRESSAVG: 2301200 17.7337 -19.3887 8.1349 -20.7371 -26.2689 -3.68566 11.0619 -5.12329 0.668558 TIMING: 2301200 CPU: 6937.51, 0.00299309/step Wall: 6937.51, 0.00299309/step, 2.24382 hours remaining, 210.265625 MB of memory in use. ENERGY: 2301200 732.1745 2103.2638 1944.4714 108.6837 -205778.3767 17444.9072 0.0000 0.0000 34214.0962 -149230.7800 298.8002 -183444.8762 -149135.2775 299.2776 -191.4977 -160.5042 557268.7318 -2.4664 -2.6222 PRESSURE: 2301400 -62.2863 177.578 -2.51127 177.579 -59.4123 72.568 -2.511 72.5688 -88.0642 GPRESSURE: 2301400 43.6857 184.442 -45.6901 119.677 -61.7746 68.5279 6.84456 77.6128 -84.5228 PRESSAVG: 2301400 24.2211 27.5493 20.4112 27.5493 55.3903 -0.535385 20.4112 -0.535355 -43.4617 GPRESSAVG: 2301400 25.1605 27.839 19.7646 25.9578 55.0388 -3.08278 19.0903 -0.167046 -44.4655 TIMING: 2301400 CPU: 6938.11, 0.00300474/step Wall: 6938.11, 0.00300474/step, 2.25239 hours remaining, 210.265625 MB of memory in use. ENERGY: 2301400 766.1631 2069.2591 1943.9270 105.1356 -206280.6543 17786.9908 0.0000 0.0000 34143.6175 -149465.5612 298.1847 -183609.1787 -149360.3102 300.0726 -69.9209 -34.2039 556782.9059 12.0499 11.9113 PRESSURE: 2301600 -358.925 -24.6227 205.334 -24.6229 -383.108 112.517 205.334 112.517 -45.8471 GPRESSURE: 2301600 -301.548 -24.5948 217.626 -33.7017 -327.834 144.828 188.559 45.6527 -38.2887 PRESSAVG: 2301600 79.4057 -37.0458 41.7343 -37.0458 -59.9534 25.3314 41.7342 25.3313 -43.6707 GPRESSAVG: 2301600 78.6247 -38.5896 42.6825 -36.3802 -59.6998 26.6577 41.8623 25.1577 -42.9325 TIMING: 2301600 CPU: 6938.71, 0.0030063/step Wall: 6938.71, 0.0030063/step, 2.25339 hours remaining, 210.265625 MB of memory in use. ENERGY: 2301600 785.8201 2096.4014 1934.0552 104.3233 -206396.1505 17765.0825 0.0000 0.0000 34248.6286 -149461.8395 299.1018 -183710.4681 -149371.7232 298.1435 -262.6268 -222.5569 559501.5707 -8.0728 -8.0025 PRESSURE: 2301800 -203.013 -1.80061 78.4593 -1.80014 108.723 -70.4695 78.46 -70.4682 -341.308 GPRESSURE: 2301800 -172.445 6.80393 -34.1277 -53.2385 139.971 21.8707 137.539 -55.8736 -313.992 PRESSAVG: 2301800 8.14317 4.11423 2.15047 4.1142 69.9874 45.7839 2.15045 45.7839 -81.5093 GPRESSAVG: 2301800 7.97 4.84523 2.88815 5.13038 69.8207 48.1046 1.11215 44.0351 -81.0419 TIMING: 2301800 CPU: 6939.31, 0.00298948/step Wall: 6939.31, 0.00298948/step, 2.24061 hours remaining, 210.265625 MB of memory in use. ENERGY: 2301800 798.7831 2088.0880 1950.9646 120.3025 -206408.0873 17856.7634 0.0000 0.0000 34205.8526 -149387.3330 298.7282 -183593.1856 -149293.7272 298.1738 -145.1995 -115.4885 558351.6479 -1.1262 -1.0837 PRESSURE: 2302000 95.0794 -21.3906 143.46 -21.3906 68.5878 -3.69281 143.46 -3.69308 -129.322 GPRESSURE: 2302000 167.583 -64.2756 71.8496 -12.2764 99.569 -44.5701 129.621 -59.0259 -122.637 PRESSAVG: 2302000 -25.2865 -17.7605 44.2475 -17.7606 44.3317 -10.4815 44.2475 -10.4816 -37.1396 GPRESSAVG: 2302000 -23.9866 -17.9161 42.8591 -18.2922 43.625 -11.9389 46.2563 -11.2391 -37.2863 TIMING: 2302000 CPU: 6939.9, 0.00296228/step Wall: 6939.9, 0.00296228/step, 2.22007 hours remaining, 210.265625 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: 2302000 749.1592 2058.5208 1926.3986 108.3451 -206523.1273 17933.9662 0.0000 0.0000 34376.5476 -149370.1898 300.2189 -183746.7373 -149284.3309 298.1862 11.4483 48.1716 558362.4103 -6.0315 -5.8826 PRESSURE: 2302200 6.64684 -38.3741 -36.5909 -38.3749 -91.4225 101.033 -36.5897 101.034 -104.011 GPRESSURE: 2302200 30.4988 -69.6098 -86.7878 -5.55047 -51.5649 16.2475 60.653 123.958 -75.956 PRESSAVG: 2302200 97.1358 -9.2248 -1.3034 -9.22475 40.0501 13.3292 -1.3035 13.3292 -80.7029 GPRESSAVG: 2302200 96.9889 -10.0363 -0.601834 -9.40713 39.4452 12.6718 -1.67148 16.2882 -80.6055 TIMING: 2302200 CPU: 6940.5, 0.00299196/step Wall: 6940.5, 0.00299196/step, 2.24214 hours remaining, 210.265625 MB of memory in use. ENERGY: 2302200 742.2251 2118.4648 1952.1793 109.1156 -206151.7371 17789.4086 0.0000 0.0000 34212.8793 -149227.4643 298.7896 -183440.3436 -149123.5318 299.3157 -62.9289 -32.3407 560950.0294 18.8277 18.6095 PRESSURE: 2302400 112.981 -27.986 28.2101 -27.9855 213.271 -143.287 28.2096 -143.287 -22.7957 GPRESSURE: 2302400 161.562 19.0219 32.7047 14.5164 195.198 -88.9957 5.87704 -207.277 46.5177 PRESSAVG: 2302400 43.5247 44.5731 30.2555 44.5731 -46.6046 -28.9677 30.2555 -28.9678 -76.8811 GPRESSAVG: 2302400 42.9982 44.5415 30.9882 44.2152 -45.9851 -29.0626 29.9662 -28.2584 -77.1773 TIMING: 2302400 CPU: 6941.09, 0.00298919/step Wall: 6941.09, 0.00298919/step, 2.2399 hours remaining, 210.265625 MB of memory in use. ENERGY: 2302400 713.8055 2105.9023 1949.8215 113.3890 -206284.2456 18008.2741 0.0000 0.0000 34131.8857 -149261.1675 298.0822 -183393.0532 -149169.7245 298.4496 101.1520 134.4261 559865.1188 -26.6537 -26.7214 PRESSURE: 2302600 -77.0754 74.6329 114.681 74.6344 50.1471 60.5326 114.68 60.5322 120.468 GPRESSURE: 2302600 -57.6074 87.3998 153.031 88.2019 75.7763 106.356 97.4742 50.0306 172.668 PRESSAVG: 2302600 -56.2838 40.5432 50.574 40.5433 16.0698 18.0069 50.5739 18.0069 52.1022 GPRESSAVG: 2302600 -56.6554 43.2363 49.3008 38.5602 16.6607 17.8074 50.819 16.4979 51.9787 TIMING: 2302600 CPU: 6941.69, 0.00299369/step Wall: 6941.69, 0.00299369/step, 2.2431 hours remaining, 210.265625 MB of memory in use. ENERGY: 2302600 736.9797 2105.7540 1931.8925 120.7939 -206688.8879 18018.0629 0.0000 0.0000 34417.1279 -149358.2770 300.5733 -183775.4049 -149255.8340 298.6847 31.1798 63.6122 557749.0889 3.9627 3.9947 PRESSURE: 2302800 -84.0844 -167.694 -250.294 -167.694 -183.034 -0.827749 -250.292 -0.828699 -66.8401 GPRESSURE: 2302800 -20.1831 -139.514 -177.732 -131.184 -176.514 -151.186 -257.637 108.605 -38.2982 PRESSAVG: 2302800 0.0722446 16.6792 65.4236 16.6792 3.99092 4.0655 65.4237 4.06552 32.363 GPRESSAVG: 2302800 0.0741857 14.9151 66.9328 17.1451 4.74569 2.91163 64.3557 5.85551 31.8626 TIMING: 2302800 CPU: 6942.29, 0.00298878/step Wall: 6942.29, 0.00298878/step, 2.23926 hours remaining, 210.265625 MB of memory in use. ENERGY: 2302800 765.6270 2132.3242 1946.4803 117.0423 -205862.4799 17554.2714 0.0000 0.0000 33912.2939 -149434.4407 296.1645 -183346.7346 -149341.1254 297.8874 -111.3195 -78.3319 557774.0997 12.1421 12.2275 PRESSURE: 2303000 -194.117 -139.519 -79.0667 -139.52 10.3304 92.643 -79.0658 92.6429 -249.266 GPRESSURE: 2303000 -87.4199 -81.79 -68.8963 -131.065 -42.6366 25.3713 -142.135 225.02 -209.323 PRESSAVG: 2303000 21.5221 28.5463 -9.1792 28.5463 -43.0581 52.4142 -9.17918 52.4142 15.3864 GPRESSAVG: 2303000 21.0507 29.5755 -10.108 28.1752 -44.739 55.1983 -8.92681 52.0281 16.7368 TIMING: 2303000 CPU: 6942.89, 0.00299358/step Wall: 6942.89, 0.00299358/step, 2.24269 hours remaining, 210.265625 MB of memory in use. ENERGY: 2303000 725.8900 2107.7118 1982.3498 103.8682 -206178.1236 17614.6161 0.0000 0.0000 34217.1017 -149426.5860 298.8265 -183643.6877 -149335.4428 298.4230 -144.3508 -113.1264 557768.0616 -2.0499 -2.3172 PRESSURE: 2303200 -122.446 -131.658 -14.5201 -131.657 -244.376 -93.6921 -14.5204 -93.6909 -14.1642 GPRESSURE: 2303200 -112.623 -123.405 32.0156 -182.456 -192.165 -37.6605 -86.1258 -34.3162 23.4995 PRESSAVG: 2303200 12.2879 54.0118 -16.7688 54.0118 3.44039 -48.8006 -16.7688 -48.8005 -1.70362 GPRESSAVG: 2303200 12.9935 51.5267 -15.2466 56.9071 4.48161 -50.0438 -17.2394 -47.9921 -3.34353 TIMING: 2303200 CPU: 6943.49, 0.00299025/step Wall: 6943.49, 0.00299025/step, 2.24003 hours remaining, 210.265625 MB of memory in use. ENERGY: 2303200 750.7748 2077.3497 1957.3842 111.6757 -206144.3577 17695.5600 0.0000 0.0000 34176.2633 -149375.3500 298.4698 -183551.6133 -149278.0599 298.9597 -126.9952 -93.7629 557611.5693 4.6749 4.7105 PRESSURE: 2303400 89.3439 -27.7405 -54.8419 -27.7398 46.212 -167.308 -54.8413 -167.307 157.569 GPRESSURE: 2303400 125.267 -4.98091 -102.126 -45.6286 97.3143 -149.916 3.58131 -208.245 161.978 PRESSAVG: 2303400 43.4528 30.5625 -9.11427 30.5625 -69.9776 -12.9259 -9.11433 -12.926 12.14 GPRESSAVG: 2303400 42.9017 33.7055 -10.7915 27.6128 -70.8776 -14.9137 -7.98436 -12.1343 13.4401 TIMING: 2303400 CPU: 6944.09, 0.00300232/step Wall: 6944.09, 0.00300232/step, 2.24891 hours remaining, 210.332031 MB of memory in use. ENERGY: 2303400 753.6842 2075.4250 1949.7772 114.2412 -206679.8762 18168.5520 0.0000 0.0000 34245.4331 -149372.7634 299.0739 -183618.1965 -149281.2371 298.8728 97.7082 128.1865 556689.6569 -4.7949 -4.8453 PRESSURE: 2303600 -130.86 -32.3097 34.9536 -32.3105 73.887 -10.6692 34.9531 -10.6676 -51.4523 GPRESSURE: 2303600 -67.6001 -99.0499 0.0114255 -30.7397 73.8937 69.4569 -23.6979 -50.0895 -31.0352 PRESSAVG: 2303600 -10.33 5.76929 6.99718 5.76925 27.8021 -31.0615 6.99715 -31.0616 -27.5405 GPRESSAVG: 2303600 -9.9316 5.25974 6.44968 6.83025 28.9213 -30.2623 6.488 -33.2958 -29.3326 TIMING: 2303600 CPU: 6944.69, 0.0030156/step Wall: 6944.69, 0.0030156/step, 2.25868 hours remaining, 210.332031 MB of memory in use. ENERGY: 2303600 750.9909 2129.0305 1955.3149 112.8174 -206390.6454 17861.1510 0.0000 0.0000 34051.5223 -149529.8184 297.3804 -183581.3407 -149433.9862 299.1472 -36.1416 -8.2472 557649.2633 -3.3561 -3.4476 PRESSURE: 2303800 -71.2888 107.161 132.148 107.162 358.883 79.5769 132.149 79.5771 185.103 GPRESSURE: 2303800 -53.6245 34.9155 101.214 142.587 405.352 109.817 157.902 26.9289 202.543 PRESSAVG: 2303800 -11.6924 49.9802 -43.6486 49.9802 39.7266 -11.5248 -43.6486 -11.5248 -5.56521 GPRESSAVG: 2303800 -12.2197 49.1896 -41.0172 49.2831 40.0537 -10.1569 -46.2531 -13.025 -5.77817 TIMING: 2303800 CPU: 6945.3, 0.00302534/step Wall: 6945.3, 0.00302534/step, 2.26581 hours remaining, 210.332031 MB of memory in use. ENERGY: 2303800 720.6706 2158.1134 1930.4178 128.3235 -206912.6257 18283.1321 0.0000 0.0000 34223.8551 -149468.1132 298.8854 -183691.9683 -149376.2394 298.9479 157.5657 184.7569 557193.8425 7.4897 7.3519 PRESSURE: 2304000 324.935 -32.787 -2.82635 -32.7858 -59.9077 110.61 -2.82357 110.609 0.260136 GPRESSURE: 2304000 309.815 -23.637 56.6637 -22.4527 -27.6612 167.694 -47.877 -6.97196 73.3078 PRESSAVG: 2304000 -25.4341 15.7377 -60.2842 15.7377 54.7974 -18.1557 -60.2843 -18.1557 -11.8337 GPRESSAVG: 2304000 -25.0717 14.575 -61.4419 19.0129 53.8317 -19.0355 -60.1141 -17.2231 -11.0935 TIMING: 2304000 CPU: 6945.9, 0.00301839/step Wall: 6945.9, 0.00301839/step, 2.26044 hours remaining, 210.332031 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: 2304000 755.7979 2104.2206 1945.2615 104.7370 -206577.4688 17975.5452 0.0000 0.0000 34212.6437 -149479.2628 298.7875 -183691.9065 -149377.4327 299.3146 88.4291 118.4870 558308.3614 5.8432 5.8889 PRESSURE: 2304200 39.0128 27.3704 216.953 27.3709 -83.3946 -124.132 216.953 -124.133 -129.056 GPRESSURE: 2304200 50.0459 61.1015 136.538 -34.9901 -50.1589 -46.7419 276.717 -165.106 -77.6148 PRESSAVG: 2304200 -1.12026 -48.2283 -0.645081 -48.2282 0.305009 -36.4188 -0.645089 -36.4189 -3.10142 GPRESSAVG: 2304200 -2.32962 -47.7104 -0.471339 -51.551 -0.0805567 -38.3099 1.65925 -36.014 -1.75165 TIMING: 2304200 CPU: 6946.5, 0.00299795/step Wall: 6946.5, 0.00299795/step, 2.24496 hours remaining, 210.332031 MB of memory in use. ENERGY: 2304200 737.6558 2134.5786 1915.0434 122.3050 -206340.7912 17747.1842 0.0000 0.0000 34141.1207 -149542.9033 298.1629 -183684.0241 -149454.0264 298.9733 -57.8127 -25.9093 559662.7585 -1.3056 -1.3873 LDB: ============= START OF LOAD BALANCING ============== 6950.02 LDB: ============== END OF LOAD BALANCING =============== 6950.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6950.02 LDB: ============= START OF LOAD BALANCING ============== 6950.33 LDB: Largest compute 4800 load 0.030346 is 25.7% of average load 0.118089 LDB: Average compute 0.001729 is 1.5% of average load 0.118089 LDB: TIME 6950.33 LOAD: AVG 0.118089 MAX 0.210741 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.766 MB LDB: TIME 6950.33 LOAD: AVG 0.118089 MAX 0.210741 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.766 MB LDB: TIME 6950.33 LOAD: AVG 0.118089 MAX 0.210741 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.766 MB LDB: ============== END OF LOAD BALANCING =============== 6950.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6950.34 PRESSURE: 2304400 -41.2985 175.241 -55.1136 175.242 114.232 -62.6695 -55.1144 -62.6696 -161.766 GPRESSURE: 2304400 33.7264 145.556 -66.0622 157.357 183.896 2.39716 -7.57483 -104.45 -210.236 PRESSAVG: 2304400 -34.2855 34.909 10.365 34.9089 40.4905 1.62008 10.365 1.62024 -6.91859 GPRESSAVG: 2304400 -32.5258 34.2862 8.6636 34.3549 40.1138 3.5112 11.3195 2.05935 -7.66737 TIMING: 2304400 CPU: 6947.12, 0.00310161/step Wall: 6947.12, 0.00310161/step, 2.32241 hours remaining, 208.191406 MB of memory in use. ENERGY: 2304400 710.1347 2173.0992 1942.4110 106.9123 -206495.3163 17874.9711 0.0000 0.0000 34178.0292 -149509.7587 298.4852 -183687.7879 -149409.0079 298.3610 -29.6111 2.4619 558638.8355 -0.2379 -0.0265 PRESSURE: 2304600 -380.615 -55.7644 -37.5885 -55.7648 -25.0953 171.69 -37.5885 171.688 -125.869 GPRESSURE: 2304600 -315.015 -91.7012 8.5475 31.9333 -62.065 191.837 -36.4154 172.735 -54.3994 PRESSAVG: 2304600 2.6483 25.0995 7.73282 25.0994 -8.05709 13.6285 7.73281 13.6285 -2.75413 GPRESSAVG: 2304600 1.54452 27.0226 7.44827 26.6753 -7.27391 13.8269 6.41395 13.7686 -2.9993 TIMING: 2304600 CPU: 6947.73, 0.00304282/step Wall: 6947.73, 0.00304282/step, 2.27823 hours remaining, 208.394531 MB of memory in use. ENERGY: 2304600 745.1301 2081.5906 1959.3690 107.4847 -206204.7383 17764.8714 0.0000 0.0000 34004.4048 -149541.8878 296.9689 -183546.2926 -149448.2972 298.2293 -177.1932 -143.8264 559456.6655 -2.7210 -2.9096 PRESSURE: 2304800 0.79325 80.82 58.0923 80.8198 -105.073 -178.605 58.0925 -178.604 -92.9735 GPRESSURE: 2304800 71.4594 57.8168 67.2985 77.6121 -115.633 -184.898 33.9391 -161.714 -51.0409 PRESSAVG: 2304800 -36.5295 -11.7891 44.4505 -11.7892 28.827 -36.0535 44.4504 -36.0534 34.9168 GPRESSAVG: 2304800 -35.5958 -14.1081 44.9286 -11.9043 27.9106 -35.5918 45.1203 -37.0547 34.3595 TIMING: 2304800 CPU: 6948.34, 0.00305346/step Wall: 6948.34, 0.00305346/step, 2.28602 hours remaining, 208.394531 MB of memory in use. ENERGY: 2304800 772.3870 2037.8865 1942.5193 110.1757 -206274.5252 17853.7078 0.0000 0.0000 34177.4327 -149380.4164 298.4800 -183557.8491 -149280.0708 298.8792 -65.7510 -31.7382 558094.8765 9.0714 8.8914 PRESSURE: 2305000 32.1336 33.6109 -62.82 33.6104 -240.152 -31.4866 -62.8193 -31.4854 187.77 GPRESSURE: 2305000 88.7304 122.503 -149.359 -82.0881 -240.835 -9.05912 -9.65531 -98.5332 229.192 PRESSAVG: 2305000 -28.3647 -22.0375 22.7555 -22.0375 -0.0544435 -11.1856 22.7555 -11.1855 -3.25605 GPRESSAVG: 2305000 -29.1065 -22.6529 20.0271 -20.9852 0.271866 -10.6253 22.8978 -11.2792 -2.82512 TIMING: 2305000 CPU: 6948.95, 0.00303999/step Wall: 6948.95, 0.00303999/step, 2.27577 hours remaining, 208.394531 MB of memory in use. ENERGY: 2305000 737.7237 2051.6495 1922.1577 108.0887 -206040.7685 17719.3017 0.0000 0.0000 34264.2594 -149237.5878 299.2383 -183501.8472 -149143.7043 298.7516 -6.7493 25.6958 557686.5341 -10.5584 -10.5533 PRESSURE: 2305200 -286.633 44.6701 76.6489 44.6698 -153.121 -16.5918 76.6496 -16.5915 164.846 GPRESSURE: 2305200 -212.212 56.703 32.5329 -29.2499 -118.965 31.1189 121.743 -1.58941 153.598 PRESSAVG: 2305200 -8.17417 -39.1512 20.6088 -39.1511 13.719 28.4773 20.6088 28.4773 -25.6141 GPRESSAVG: 2305200 -8.93751 -38.6036 21.6558 -39.0514 13.0674 27.0807 21.1841 28.3117 -24.1363 TIMING: 2305200 CPU: 6949.55, 0.00303692/step Wall: 6949.55, 0.00303692/step, 2.2733 hours remaining, 208.394531 MB of memory in use. ENERGY: 2305200 774.9705 2082.3974 1934.9991 117.0075 -206248.3995 17700.1390 0.0000 0.0000 34211.2654 -149427.6207 298.7755 -183638.8860 -149333.3923 298.4453 -91.6359 -59.1926 556460.1591 -6.6897 -6.6688 PRESSURE: 2305400 -222.28 21.0209 31.6127 21.021 -142.095 -7.58385 31.6129 -7.58377 -170.198 GPRESSURE: 2305400 -233.562 -4.55213 -52.9905 78.3707 -74.6847 56.8677 102.737 -36.5487 -135.397 PRESSAVG: 2305400 -35.2939 -2.92684 48.331 -2.92687 31.5295 31.5371 48.331 31.537 23.5478 GPRESSAVG: 2305400 -34.5506 -3.50826 50.1347 -2.45189 31.7991 30.5034 47.1357 31.4603 22.2014 TIMING: 2305400 CPU: 6950.16, 0.00301696/step Wall: 6950.16, 0.00301696/step, 2.25819 hours remaining, 208.394531 MB of memory in use. ENERGY: 2305400 752.4772 2046.8576 1947.2313 95.0462 -205945.9182 17565.1798 0.0000 0.0000 34108.7330 -149430.3931 297.8800 -183539.1260 -149334.4084 298.6201 -178.1909 -147.8814 557998.7968 6.5944 6.4833 PRESSURE: 2305600 21.6649 134.868 -127.362 134.869 -162.639 -121.494 -127.363 -121.492 -88.1018 GPRESSURE: 2305600 47.1369 157.049 -85.91 187.018 -170.958 -107.951 -148.962 -148.5 -16.1303 PRESSAVG: 2305600 -24.8918 42.8443 -50.3683 42.8443 -1.01897 -92.1512 -50.3684 -92.1512 15.1041 GPRESSAVG: 2305600 -24.1872 44.4272 -49.7359 42.8313 -0.534246 -91.7886 -51.7365 -90.0464 13.1607 TIMING: 2305600 CPU: 6950.76, 0.00302037/step Wall: 6950.76, 0.00302037/step, 2.26058 hours remaining, 208.394531 MB of memory in use. ENERGY: 2305600 750.2488 2042.0050 1913.5686 117.6577 -206025.3401 17614.9799 0.0000 0.0000 34243.8861 -149342.9941 299.0604 -183586.8802 -149247.8544 298.5113 -76.3586 -46.6504 556385.9162 -3.6022 -3.8536 PRESSURE: 2305800 86.9043 182.24 30.0424 182.241 -102.828 36.1659 30.0428 36.1666 -44.1858 GPRESSURE: 2305800 104.541 258.883 -17.1205 79.6837 -15.6293 69.9745 21.0532 42.6933 -50.0595 PRESSAVG: 2305800 60.0124 11.2468 33.4148 11.2468 -64.8943 -16.7404 33.4149 -16.7405 -1.73986 GPRESSAVG: 2305800 59.3121 13.0338 32.7561 9.30705 -65.416 -14.6103 34.7128 -18.7898 -0.440378 TIMING: 2305800 CPU: 6951.37, 0.00302408/step Wall: 6951.37, 0.00302408/step, 2.26319 hours remaining, 208.394531 MB of memory in use. ENERGY: 2305800 741.0395 2067.3086 1954.0061 104.5771 -206099.2532 17876.9297 0.0000 0.0000 34148.9803 -149206.4119 298.2315 -183355.3922 -149119.7588 299.1962 -20.0366 12.9507 558514.4777 -2.2073 -2.1814 PRESSURE: 2306000 8.07612 258.327 170.199 258.327 141.253 -255.314 170.199 -255.316 14.5964 GPRESSURE: 2306000 20.0337 231.375 82.8308 212.928 176.888 -185.21 214.847 -255.911 59.7521 PRESSAVG: 2306000 54.9438 3.15517 5.12966 3.15514 40.1948 -68.5092 5.12973 -68.5092 -51.0442 GPRESSAVG: 2306000 53.8669 1.9315 4.89215 3.66639 39.0158 -69.5009 4.97538 -69.2792 -49.4731 TIMING: 2306000 CPU: 6951.96, 0.00297328/step Wall: 6951.96, 0.00297328/step, 2.225 hours remaining, 208.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2306000 746.7003 2106.9883 1941.2726 123.3419 -206368.7026 17869.1078 0.0000 0.0000 34345.2805 -149236.0113 299.9459 -183581.2917 -149136.4541 299.9270 54.6417 85.5580 555987.6373 14.6981 14.4699 PRESSURE: 2306200 102.213 144.144 35.4724 144.141 43.255 -199.14 35.4725 -199.14 31.8307 GPRESSURE: 2306200 119.475 134.345 -25.2102 135.577 69.2727 -166.515 145.63 -191.968 88.4816 PRESSAVG: 2306200 44.4676 -63.7941 22.1162 -63.794 16.2188 -64.3462 22.1162 -64.3462 -30.6146 GPRESSAVG: 2306200 46.3639 -64.5089 21.673 -62.9541 15.8838 -65.5416 22.0311 -62.4177 -32.1217 TIMING: 2306200 CPU: 6952.56, 0.00300017/step Wall: 6952.56, 0.00300017/step, 2.24496 hours remaining, 208.394531 MB of memory in use. ENERGY: 2306200 724.2829 2095.6702 1936.6485 116.0800 -206170.6760 17757.1214 0.0000 0.0000 34270.3889 -149270.4840 299.2918 -183540.8729 -149174.8539 299.1716 59.0997 92.4099 556291.1265 10.0240 10.0420 PRESSURE: 2306400 -34.9046 -84.5817 91.4992 -84.5818 16.5107 -0.586926 91.4981 -0.586275 383.189 GPRESSURE: 2306400 -45.5381 -53.6332 11.204 -72.9775 122.879 14.9224 157.671 54.673 378.595 PRESSAVG: 2306400 25.2651 67.938 84.576 67.938 44.1009 -55.4002 84.576 -55.4001 -31.8111 GPRESSAVG: 2306400 23.9778 67.2262 84.1126 69.734 44.568 -54.9258 84.1632 -56.5262 -31.9055 TIMING: 2306400 CPU: 6953.16, 0.00299833/step Wall: 6953.16, 0.00299833/step, 2.24342 hours remaining, 208.394531 MB of memory in use. ENERGY: 2306400 754.2849 2084.5742 1926.9305 111.0544 -206716.7156 18129.5394 0.0000 0.0000 34379.3062 -149331.0260 300.2430 -183710.3322 -149238.1859 299.1529 121.5982 151.9785 556885.2229 12.5183 12.2134 PRESSURE: 2306600 173.788 -37.0103 135.259 -37.0088 -110.573 74.6207 135.258 74.6193 46.0327 GPRESSURE: 2306600 220.511 -62.1179 147.933 21.593 -91.5434 146.911 168.742 31.5228 78.1163 PRESSAVG: 2306600 79.7258 37.1754 71.5312 37.1753 -1.55021 -39.9451 71.5311 -39.9451 -76.501 GPRESSAVG: 2306600 79.2328 36.8699 73.1578 36.458 -1.55281 -40.9407 69.0939 -40.4061 -76.6094 TIMING: 2306600 CPU: 6953.76, 0.00300993/step Wall: 6953.76, 0.00300993/step, 2.25193 hours remaining, 208.394531 MB of memory in use. ENERGY: 2306600 743.9107 2155.4353 1935.4124 109.6656 -206249.2191 17772.5853 0.0000 0.0000 34185.5658 -149346.6440 298.5510 -183532.2098 -149261.0616 299.0431 36.4156 69.0280 556856.5841 0.5582 0.3568 PRESSURE: 2306800 137.725 76.6617 136.294 76.6612 -104.049 87.4677 136.295 87.4671 -38.3227 GPRESSURE: 2306800 120.926 109.597 149.291 67.7931 -38.2399 38.0901 115.775 104.129 -1.27263 PRESSAVG: 2306800 85.1292 73.6666 20.1894 73.6666 -15.2569 -2.17423 20.1893 -2.17417 -35.909 GPRESSAVG: 2306800 85.0847 74.0443 19.8705 72.0773 -15.4368 -1.3424 22.4718 -0.941074 -35.9187 TIMING: 2306800 CPU: 6954.36, 0.0030009/step Wall: 6954.36, 0.0030009/step, 2.24501 hours remaining, 208.394531 MB of memory in use. ENERGY: 2306800 760.3227 2085.7022 1941.5345 102.2219 -206242.7222 17748.7280 0.0000 0.0000 34235.8277 -149368.3852 298.9900 -183604.2129 -149267.3063 299.1461 -1.5488 27.1379 557264.9587 11.3211 11.2431 PRESSURE: 2307000 101.522 104.044 -57.2197 104.045 205.058 49.5285 -57.2193 49.5291 101.368 GPRESSURE: 2307000 74.4055 97.691 -123.773 128.116 242.591 94.068 -1.59477 123.938 189.775 PRESSAVG: 2307000 36.4383 43.2866 36.7575 43.2865 -21.8795 9.56321 36.7575 9.56324 -2.56908 GPRESSAVG: 2307000 36.9527 44.3127 36.1531 43.1557 -22.2179 5.8701 38.6129 9.86265 -2.69691 TIMING: 2307000 CPU: 6954.96, 0.00298371/step Wall: 6954.96, 0.00298371/step, 2.23198 hours remaining, 208.394531 MB of memory in use. ENERGY: 2307000 705.1551 2076.2327 1924.4323 129.7868 -206543.1884 17958.8030 0.0000 0.0000 34337.0069 -149411.7717 299.8736 -183748.7786 -149315.7134 299.1720 135.9825 168.9240 556881.7584 3.9966 4.0126 PRESSURE: 2307200 14.8788 -89.6521 -44.2205 -89.6509 11.8681 -109.877 -44.2199 -109.879 0.81451 GPRESSURE: 2307200 36.7848 -181.92 -47.9834 -35.4432 67.5194 -5.45943 -51.3874 -63.6228 7.02228 PRESSAVG: 2307200 -3.4712 0.249097 -26.9521 0.249086 80.6324 43.6062 -26.9521 43.6062 -47.4835 GPRESSAVG: 2307200 -5.03773 -1.87952 -27.7048 0.0165277 81.7372 47.575 -28.5223 41.7544 -47.2616 TIMING: 2307200 CPU: 6955.56, 0.00299099/step Wall: 6955.56, 0.00299099/step, 2.23726 hours remaining, 208.394531 MB of memory in use. ENERGY: 2307200 711.2918 2071.3236 1918.6711 111.4535 -206211.1514 17853.0827 0.0000 0.0000 34236.5058 -149308.8228 298.9959 -183545.3286 -149212.5910 298.8764 9.1871 37.1088 557859.1513 9.8926 9.8126 PRESSURE: 2307400 -117.564 13.9632 155.863 13.9637 182.304 -110.589 155.863 -110.59 -11.432 GPRESSURE: 2307400 -110.257 72.2791 207.366 9.63942 157.626 -83.0399 132.892 -96.3897 111.576 PRESSAVG: 2307400 22.482 1.72462 -4.87333 1.72451 28.7492 -21.6995 -4.87329 -21.6995 -46.7258 GPRESSAVG: 2307400 22.7278 2.3285 -5.58917 1.44149 27.5085 -22.605 -4.09262 -21.0868 -45.5476 TIMING: 2307400 CPU: 6956.16, 0.00301143/step Wall: 6956.16, 0.00301143/step, 2.25238 hours remaining, 208.394531 MB of memory in use. ENERGY: 2307400 719.7568 2093.2438 1941.3767 116.1379 -206130.2505 17874.8278 0.0000 0.0000 34028.8698 -149356.0377 297.1826 -183384.9075 -149253.2101 298.7859 17.7694 52.9818 558479.0229 1.5018 1.5629 PRESSURE: 2307600 270.306 -97.9042 34.3307 -97.9044 -61.4211 -85.7391 34.3329 -85.7412 94.2023 GPRESSURE: 2307600 334.225 -173.765 -8.86284 -29.4706 -24.2332 -88.0161 19.9809 -32.532 87.0605 PRESSAVG: 2307600 44.7483 -44.0314 -51.6328 -44.0315 -3.76058 -21.7571 -51.6328 -21.7571 -2.0633 GPRESSAVG: 2307600 45.8969 -43.7468 -51.5352 -43.4969 -3.48309 -22.4979 -51.2351 -20.3608 -3.09706 TIMING: 2307600 CPU: 6956.77, 0.00303272/step Wall: 6956.77, 0.00303272/step, 2.26814 hours remaining, 208.394531 MB of memory in use. ENERGY: 2307600 720.9907 2183.0417 1943.7643 97.2705 -206591.7806 18076.4261 0.0000 0.0000 34313.3107 -149256.9765 299.6667 -183570.2872 -149157.1529 299.2627 101.0291 132.3508 557190.4733 12.9748 13.1056 PRESSURE: 2307800 -210.575 54.0629 -101.468 54.0611 22.2989 -72.1309 -101.466 -72.1298 -139.411 GPRESSURE: 2307800 -130.716 21.6145 -96.549 32.282 22.8126 -30.3565 -143.707 -76.0965 -112.056 PRESSAVG: 2307800 -16.5714 -16.5315 -1.72575 -16.5315 7.31183 -38.4729 -1.72576 -38.4729 15.2463 GPRESSAVG: 2307800 -18.1383 -16.031 -1.85297 -16.5057 8.26471 -38.2602 -1.65731 -39.6866 15.794 TIMING: 2307800 CPU: 6957.37, 0.00302517/step Wall: 6957.37, 0.00302517/step, 2.26232 hours remaining, 208.394531 MB of memory in use. ENERGY: 2307800 757.2228 2159.7774 1919.3589 117.2586 -206197.4207 17629.2313 0.0000 0.0000 34312.0737 -149302.4980 299.6559 -183614.5718 -149207.3457 299.4233 -109.2293 -73.3199 555683.1580 1.9956 1.9735 PRESSURE: 2308000 -85.8182 -94.5299 46.1265 -94.5293 82.4753 201.399 46.1262 201.399 -137.396 GPRESSURE: 2308000 -31.2101 1.35107 33.0204 -182.479 123.784 247.54 77.3529 167.426 -133.121 PRESSAVG: 2308000 14.07 14.3173 -32.3842 14.3173 -19.9014 -19.6229 -32.3842 -19.6228 -20.7461 GPRESSAVG: 2308000 13.7646 14.5176 -32.2581 13.4021 -20.8519 -20.1408 -31.7906 -17.9354 -20.0939 TIMING: 2308000 CPU: 6957.98, 0.00302161/step Wall: 6957.98, 0.00302161/step, 2.25949 hours remaining, 208.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2308000 743.3522 2133.6933 1918.0019 98.2529 -206277.1945 17728.9775 0.0000 0.0000 34451.1316 -149203.7851 300.8703 -183654.9167 -149108.7101 300.3330 -46.9130 -13.5157 555762.1783 -8.8592 -9.0604 PRESSURE: 2308200 -3.7913 86.0287 192.211 86.0283 -68.8911 -85.1895 192.21 -85.1879 -83.3579 GPRESSURE: 2308200 32.8647 143.145 201.219 12.8037 -22.0697 18.5666 265.355 -96.848 -55.5708 PRESSAVG: 2308200 -34.0595 -30.1252 32.5827 -30.1251 87.6407 8.17327 32.5826 8.17324 -76.675 GPRESSAVG: 2308200 -33.2204 -28.8532 34.1991 -29.6343 88.1044 9.37088 30.5413 5.76804 -77.9212 TIMING: 2308200 CPU: 6958.58, 0.00300943/step Wall: 6958.58, 0.00300943/step, 2.25022 hours remaining, 208.394531 MB of memory in use. ENERGY: 2308200 704.7619 2079.8835 1938.1364 105.4334 -205957.7011 17523.8387 0.0000 0.0000 34371.8541 -149233.7930 300.1780 -183605.6471 -149134.7320 299.8741 -52.0134 -14.9253 554662.2608 -7.6979 -7.6791 LDB: ============= START OF LOAD BALANCING ============== 6962.1 LDB: ============== END OF LOAD BALANCING =============== 6962.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6962.1 LDB: ============= START OF LOAD BALANCING ============== 6962.4 LDB: Largest compute 4800 load 0.030531 is 25.9% of average load 0.118082 LDB: Average compute 0.001727 is 1.5% of average load 0.118082 LDB: TIME 6962.4 LOAD: AVG 0.118082 MAX 0.206876 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.188 MB LDB: TIME 6962.4 LOAD: AVG 0.118082 MAX 0.206876 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.258 MB LDB: TIME 6962.4 LOAD: AVG 0.118082 MAX 0.206876 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.258 MB LDB: ============== END OF LOAD BALANCING =============== 6962.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6962.41 PRESSURE: 2308400 -93.1068 -0.211905 -113.97 -0.209278 47.9358 30.5301 -113.97 30.5297 183.359 GPRESSURE: 2308400 -50.1786 -33.4804 -186.728 20.8381 102.722 71.3606 4.52383 -36.1539 192.752 PRESSAVG: 2308400 26.688 24.6167 16.4654 24.6167 -3.44547 16.8798 16.4653 16.8798 -47.8322 GPRESSAVG: 2308400 27.1782 24.7128 16.4668 24.3432 -4.19186 13.8236 18.6243 17.9381 -46.8798 TIMING: 2308400 CPU: 6959.19, 0.00307084/step Wall: 6959.19, 0.00307084/step, 2.29597 hours remaining, 209.707031 MB of memory in use. ENERGY: 2308400 764.0550 2075.0201 1914.5128 110.9382 -206484.6904 17979.0880 0.0000 0.0000 34243.9814 -149397.0948 299.0612 -183641.0762 -149298.6250 300.0981 46.0628 81.7652 557166.9851 -8.1966 -7.9645 PRESSURE: 2308600 345.866 80.1399 -19.6207 80.1397 111.657 61.5638 -19.6211 61.5646 7.81664 GPRESSURE: 2308600 337.721 9.23824 78.6459 9.00138 138.519 89.486 -139.801 86.7701 78.1697 PRESSAVG: 2308600 51.4002 21.5331 1.15829 21.5331 -15.5635 42.6683 1.15832 42.6681 -51.7913 GPRESSAVG: 2308600 52.0197 19.0851 1.51403 21.5359 -14.7356 43.1887 0.165122 42.1119 -53.0993 TIMING: 2308600 CPU: 6959.79, 0.00300248/step Wall: 6959.79, 0.00300248/step, 2.24469 hours remaining, 209.707031 MB of memory in use. ENERGY: 2308600 745.9596 2132.3017 1939.4157 128.8937 -206720.9016 18041.0456 0.0000 0.0000 34229.4779 -149503.8073 298.9345 -183733.2852 -149406.7840 299.3120 155.1133 184.8034 555123.7882 -5.3182 -5.2717 PRESSURE: 2308800 137.431 177.056 140.076 177.056 -34.7487 28.941 140.076 28.942 -103.676 GPRESSURE: 2308800 137.655 54.1138 78.3919 190.131 9.83599 64.4675 167.06 -10.9167 -55.3491 PRESSAVG: 2308800 53.6781 -20.9721 -30.4146 -20.9721 12.8002 -24.4838 -30.4147 -24.4836 -50.6761 GPRESSAVG: 2308800 53.0585 -20.4264 -33.0864 -22.0581 13.8704 -23.5401 -27.6599 -25.5297 -50.4659 TIMING: 2308800 CPU: 6960.4, 0.00301312/step Wall: 6960.4, 0.00301312/step, 2.25248 hours remaining, 209.910156 MB of memory in use. ENERGY: 2308800 747.5010 2108.8032 1913.8706 102.4388 -206680.0683 17969.8765 0.0000 0.0000 34344.3475 -149493.2307 299.9377 -183837.5781 -149396.1734 298.9944 -0.3314 30.7140 555471.2387 5.2674 5.4877 PRESSURE: 2309000 193.888 -131.899 16.4402 -131.897 -2.04235 -83.6652 16.4402 -83.6653 181.077 GPRESSURE: 2309000 178.626 -113.571 -141.279 -171.534 5.09653 -173.979 83.0715 -38.2548 292.664 PRESSAVG: 2309000 -27.6183 43.8582 2.04919 43.8582 74.4812 12.4965 2.04914 12.4965 -22.6845 GPRESSAVG: 2309000 -28.6641 46.5811 3.50935 43.455 73.7478 14.5446 -0.926545 12.9015 -21.0107 TIMING: 2309000 CPU: 6961, 0.00303111/step Wall: 6961, 0.00303111/step, 2.26576 hours remaining, 209.910156 MB of memory in use. ENERGY: 2309000 726.1665 1997.5934 1943.8398 119.9132 -206494.0791 17948.6495 0.0000 0.0000 34260.4651 -149497.4516 299.2052 -183757.9167 -149397.5857 298.8691 124.3076 158.7954 556209.2281 8.0595 8.0243 PRESSURE: 2309200 152.844 -47.1981 -83.6643 -47.1992 132.622 -100.316 -83.6654 -100.315 83.8579 GPRESSURE: 2309200 215.826 -109.2 -61.223 -64.9916 105.303 -69.597 -64.3942 -110.386 143.289 PRESSAVG: 2309200 -27.8322 -30.0702 -41.6564 -30.0703 -8.52054 16.9068 -41.6564 16.9068 121.2 GPRESSAVG: 2309200 -26.5089 -30.4909 -41.6951 -29.1731 -9.34857 14.8817 -39.59 17.881 120.955 TIMING: 2309200 CPU: 6961.6, 0.00299925/step Wall: 6961.6, 0.00299925/step, 2.24178 hours remaining, 209.910156 MB of memory in use. ENERGY: 2309200 762.6415 2080.5723 1892.4047 113.0382 -206482.4752 17975.6057 0.0000 0.0000 34227.7650 -149430.4477 298.9196 -183658.2128 -149333.2554 298.3413 123.1080 154.8060 556591.0889 28.2825 28.3658 PRESSURE: 2309400 255.543 61.3817 99.9636 61.3815 302.771 -41.6266 99.9637 -41.6258 -129.114 GPRESSURE: 2309400 285.409 65.2631 182.635 -11.8266 360.519 -75.4063 21.9476 -79.3365 -124.106 PRESSAVG: 2309400 23.0161 18.5331 21.9177 18.533 -1.83981 -35.3031 21.9178 -35.3031 -18.5319 GPRESSAVG: 2309400 23.1762 18.341 22.6818 18.1608 -1.42574 -38.1406 21.9491 -32.7162 -19.439 TIMING: 2309400 CPU: 6962.2, 0.00296953/step Wall: 6962.2, 0.00296953/step, 2.21939 hours remaining, 209.910156 MB of memory in use. ENERGY: 2309400 699.5940 2072.6708 1938.9912 114.4948 -206685.2191 18047.5691 0.0000 0.0000 34314.5988 -149497.3004 299.6779 -183811.8993 -149406.1953 298.6569 143.0667 173.9408 556881.7761 0.8814 0.7705 PRESSURE: 2309600 -79.7686 -51.2145 35.8169 -51.2149 34.1826 76.3209 35.8163 76.3203 66.2608 GPRESSURE: 2309600 -53.749 -63.2119 -7.87322 -78.7281 57.0942 41.4745 119.09 143.855 125.136 PRESSAVG: 2309600 72.1038 -2.09936 39.606 -2.09932 -38.3395 -18.2975 39.6062 -18.2976 -68.5873 GPRESSAVG: 2309600 70.0204 -2.2158 38.9852 -2.15912 -38.0306 -15.1058 38.6543 -20.5181 -67.5136 TIMING: 2309600 CPU: 6962.8, 0.00300022/step Wall: 6962.8, 0.00300022/step, 2.24216 hours remaining, 209.910156 MB of memory in use. ENERGY: 2309600 725.2154 2111.4842 1930.8909 114.3419 -206180.6417 17765.0250 0.0000 0.0000 34268.0556 -149265.6288 299.2715 -183533.6844 -149163.1199 299.0749 6.8916 42.8272 557509.2853 -11.6077 -11.8413 PRESSURE: 2309800 -169.571 11.026 23.3041 11.0258 -401.689 77.8817 23.3015 77.8824 -324.224 GPRESSURE: 2309800 -113.357 13.7579 -32.2184 57.2923 -368.83 95.1476 83.2308 99.1818 -309.398 PRESSAVG: 2309800 75.9149 6.19695 32.6702 6.19697 -33.4538 49.5085 32.6702 49.5085 -25.9327 GPRESSAVG: 2309800 77.5026 5.21251 33.2359 6.68332 -35.4033 50.4417 32.131 48.9726 -25.5466 TIMING: 2309800 CPU: 6963.4, 0.00300266/step Wall: 6963.4, 0.00300266/step, 2.24382 hours remaining, 209.910156 MB of memory in use. ENERGY: 2309800 781.0900 2019.2409 1908.0441 111.1413 -205613.7619 17314.7611 0.0000 0.0000 34230.2125 -149249.2720 298.9410 -183479.4845 -149150.8046 299.2734 -298.4947 -263.8619 557843.9159 5.5095 5.5176 PRESSURE: 2310000 4.25501 119.336 6.53257 119.335 -197.074 33.9181 6.53435 33.9192 -82.7528 GPRESSURE: 2310000 58.7896 137.857 109.406 41.7997 -120.933 -14.272 4.38382 71.9258 -121.069 PRESSAVG: 2310000 60.8879 -33.1013 57.4532 -33.1013 -53.4293 -11.7319 57.4532 -11.7317 -18.8107 GPRESSAVG: 2310000 60.2884 -30.5965 57.5678 -34.3981 -53.1069 -12.4824 54.9406 -12.4265 -18.7839 TIMING: 2310000 CPU: 6964, 0.00300942/step Wall: 6964, 0.00300942/step, 2.2487 hours remaining, 209.910156 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: 2310000 750.3330 2067.3942 1917.3957 118.1222 -206041.1121 17709.9058 0.0000 0.0000 34185.5892 -149292.3722 298.5513 -183477.9614 -149191.9112 298.6646 -91.8572 -61.0708 558535.7808 -3.7840 -3.8675 PRESSURE: 2310200 -126.701 -109.729 1.83843 -109.729 -217.231 125.021 1.83801 125.021 -106.111 GPRESSURE: 2310200 -69.631 -43.3043 -0.626747 -206.68 -204.932 38.5423 -53.9082 137.666 -71.051 PRESSAVG: 2310200 10.621 -23.3967 25.4547 -23.3966 -26.275 45.3797 25.4547 45.3795 33.7777 GPRESSAVG: 2310200 10.2661 -25.5892 26.093 -22.6661 -25.5399 45.8452 27.749 46.2684 32.8944 TIMING: 2310200 CPU: 6964.6, 0.00303466/step Wall: 6964.6, 0.00303466/step, 2.2674 hours remaining, 209.910156 MB of memory in use. ENERGY: 2310200 731.2080 2077.3197 1912.2277 125.8006 -205969.5112 17676.0244 0.0000 0.0000 34222.4387 -149224.4920 298.8731 -183446.9307 -149125.4625 298.9177 -150.0141 -115.2046 559195.5729 6.0413 5.8735 PRESSURE: 2310400 -40.2055 -18.8176 -82.2884 -18.818 -162.675 208.866 -82.2884 208.865 119.985 GPRESSURE: 2310400 -2.24067 52.9986 -114.186 -12.3183 -145.93 168.441 -92.2527 137.017 163.763 PRESSAVG: 2310400 -45.6476 -12.5967 -74.4152 -12.5967 -72.4588 24.7699 -74.4151 24.77 90.9775 GPRESSAVG: 2310400 -44.6521 -13.0817 -75.2953 -11.904 -72.5479 24.9265 -74.4927 23.7504 90.8463 TIMING: 2310400 CPU: 6965.21, 0.00303862/step Wall: 6965.21, 0.00303862/step, 2.27018 hours remaining, 209.910156 MB of memory in use. ENERGY: 2310400 734.3385 2052.0073 1939.0549 109.6551 -205728.0506 17477.4672 0.0000 0.0000 34268.8776 -149146.6500 299.2786 -183415.5276 -149049.1494 299.1806 -27.6316 5.1975 557167.7902 -9.0430 -8.7846 PRESSURE: 2310600 -26.9595 89.969 26.5005 89.969 -16.3974 -59.4986 26.5 -59.4998 -134.557 GPRESSURE: 2310600 -33.9785 129.86 34.8036 106.571 11.3064 -130.888 -46.4296 -12.4585 -59.564 PRESSAVG: 2310600 -4.8437 3.16432 -28.4302 3.16438 31.629 24.454 -28.4301 24.454 6.79046 GPRESSAVG: 2310600 -5.43695 4.82369 -29.2609 1.74553 31.3877 25.2925 -30.2512 21.6304 7.27401 TIMING: 2310600 CPU: 6965.82, 0.00304438/step Wall: 6965.82, 0.00304438/step, 2.27432 hours remaining, 209.910156 MB of memory in use. ENERGY: 2310600 746.1762 2060.1192 1927.2933 112.8218 -205991.9914 17756.5777 0.0000 0.0000 34325.3918 -149063.6115 299.7722 -183389.0033 -148970.5806 299.4835 -59.3046 -27.4120 557431.8519 11.1919 11.0749 PRESSURE: 2310800 -310.176 -119.879 65.8426 -119.878 -246.053 13.2447 65.8421 13.2437 191.299 GPRESSURE: 2310800 -259.561 -135.163 30.7333 -128.342 -207.278 108.584 53.2379 -46.3981 198.822 PRESSAVG: 2310800 -22.1318 -12.2953 16.0439 -12.2953 -14.8873 4.55021 16.044 4.5502 30.7662 GPRESSAVG: 2310800 -21.5864 -13.1936 15.3965 -10.2993 -14.7568 3.45168 16.3079 6.41306 30.2358 TIMING: 2310800 CPU: 6966.42, 0.00300762/step Wall: 6966.42, 0.00300762/step, 2.24669 hours remaining, 209.910156 MB of memory in use. ENERGY: 2310800 722.2210 2037.8528 1932.4571 107.4076 -205595.3353 17560.9367 0.0000 0.0000 34287.2263 -148947.2338 299.4389 -183234.4601 -148853.8649 299.8867 -121.6434 -89.3391 559041.1629 -2.0843 -2.0358 PRESSURE: 2311000 122.193 8.53442 -21.5743 8.53334 171.112 -59.8913 -21.5742 -59.8917 39.7015 GPRESSURE: 2311000 137.098 17.313 -39.7425 3.52587 195.144 -154.548 -76.6688 -53.5534 98.7474 PRESSAVG: 2311000 -5.81891 17.068 -20.2177 17.0681 -20.0301 29.2658 -20.2178 29.266 22.53 GPRESSAVG: 2311000 -5.82462 18.77 -18.8105 16.4486 -20.3459 29.3855 -22.1529 30.5556 23.1069 TIMING: 2311000 CPU: 6967.02, 0.00297841/step Wall: 6967.02, 0.00297841/step, 2.2247 hours remaining, 209.910156 MB of memory in use. ENERGY: 2311000 720.9878 2126.4660 1934.6421 119.0602 -206528.8899 18153.3824 0.0000 0.0000 34411.6517 -149062.6996 300.5255 -183474.3513 -148964.3837 299.8807 111.0019 143.6631 558572.9618 -1.1063 -1.0212 PRESSURE: 2311200 19.3848 -92.2907 -40.1974 -92.2929 -91.3456 91.3308 -40.1979 91.3303 70.9965 GPRESSURE: 2311200 72.7187 -133.366 -26.6438 -37.0927 -69.2565 18.8056 -28.3436 120.804 88.0985 PRESSAVG: 2311200 10.7986 -39.9907 27.1186 -39.9907 -28.9194 -11.8212 27.1185 -11.8213 -29.3105 GPRESSAVG: 2311200 10.3821 -40.3061 26.762 -39.9961 -29.5519 -10.666 30.2628 -12.7536 -28.4821 TIMING: 2311200 CPU: 6967.62, 0.00299039/step Wall: 6967.62, 0.00299039/step, 2.23349 hours remaining, 209.921875 MB of memory in use. ENERGY: 2311200 729.4131 2101.3112 1944.1868 114.8004 -206031.7960 17795.8068 0.0000 0.0000 34255.0215 -149091.2562 299.1576 -183346.2777 -148999.4863 299.4479 -0.3214 30.5202 558689.4400 -15.8104 -15.8840 PRESSURE: 2311400 -98.7157 23.7028 11.4871 23.7023 -59.7043 87.6923 11.4875 87.6932 143.177 GPRESSURE: 2311400 -98.5605 3.3344 -22.7934 41.8126 25.1025 52.208 98.4815 85.5822 146.794 PRESSAVG: 2311400 -64.7866 -58.209 6.40759 -58.2092 19.7593 -18.5454 6.40761 -18.5454 29.0855 GPRESSAVG: 2311400 -64.196 -56.5475 4.98979 -60.3115 20.6691 -18.326 5.99055 -18.0442 27.9225 TIMING: 2311400 CPU: 6968.22, 0.00299129/step Wall: 6968.22, 0.00299129/step, 2.23399 hours remaining, 209.921875 MB of memory in use. ENERGY: 2311400 732.0978 2097.9282 1921.3447 122.9396 -205682.4445 17595.9206 0.0000 0.0000 34041.0249 -149171.1888 297.2887 -183212.2137 -149079.9039 299.7598 -5.0810 24.4452 558686.6275 -5.3139 -5.2015 PRESSURE: 2311600 484.48 -77.711 -28.8136 -77.7123 222.459 -132.451 -28.814 -132.449 331.501 GPRESSURE: 2311600 548.069 -47.3788 17.6672 -65.904 265.246 -153.983 -2.65948 -90.4717 328.28 PRESSAVG: 2311600 8.44657 17.0488 -33.9805 17.0487 -68.1926 0.807856 -33.9806 0.807822 34.9338 GPRESSAVG: 2311600 9.49786 15.5078 -32.0832 18.3355 -68.8463 -1.38353 -33.72 1.25156 34.7176 TIMING: 2311600 CPU: 6968.82, 0.00301569/step Wall: 6968.82, 0.00301569/step, 2.25205 hours remaining, 209.921875 MB of memory in use. ENERGY: 2311600 728.7022 2111.1958 1914.6592 115.3918 -206356.7823 18132.3269 0.0000 0.0000 34311.8726 -149042.6339 299.6541 -183354.5065 -148952.3539 299.6222 346.1466 380.5316 557279.6900 -8.2708 -8.2103 PRESSURE: 2311800 -108.299 -122.449 69.2896 -122.449 -181.314 -63.5686 69.29 -63.5697 28.7667 GPRESSURE: 2311800 -83.9412 -194.901 132.665 -60.719 -150.288 -36.1425 37.9895 -95.8985 69.9584 PRESSAVG: 2311800 13.9426 -54.0138 -7.53225 -54.0138 -79.6101 1.62838 -7.53231 1.62832 67.2674 GPRESSAVG: 2311800 12.6321 -53.9331 -7.50572 -54.0184 -79.5208 3.36724 -7.88854 1.00466 67.9432 TIMING: 2311800 CPU: 6969.42, 0.00302149/step Wall: 6969.42, 0.00302149/step, 2.25621 hours remaining, 209.921875 MB of memory in use. ENERGY: 2311800 780.0915 2088.3326 1949.1934 113.3422 -206380.0571 17789.8379 0.0000 0.0000 34468.9525 -149190.3071 301.0259 -183659.2596 -149088.1838 299.5029 -86.9489 -54.7569 558314.7980 0.5333 0.3515 PRESSURE: 2312000 49.9442 83.0718 -46.9152 83.0714 -176.563 83.3544 -46.9156 83.3538 129.507 GPRESSURE: 2312000 22.1563 158.802 -195.56 -16.0341 -133.402 75.4491 -31.1962 96.5772 208.712 PRESSAVG: 2312000 -4.4234 -10.6196 -1.34674 -10.6195 -35.0618 2.21792 -1.34677 2.21794 53.1825 GPRESSAVG: 2312000 -5.63508 -9.72236 -1.32836 -10.7694 -33.609 1.98944 0.0992464 0.247314 52.6912 TIMING: 2312000 CPU: 6970.03, 0.00303152/step Wall: 6970.03, 0.00303152/step, 2.26354 hours remaining, 209.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2312000 736.9191 2082.6886 1929.5544 110.0503 -206413.9820 18008.5238 0.0000 0.0000 34361.6427 -149184.6031 300.0888 -183546.2459 -149092.8706 299.8731 0.9628 32.4888 558095.3293 4.5658 4.4824 PRESSURE: 2312200 -61.888 -125.043 -44.2513 -125.043 88.1588 120.725 -44.2516 120.724 -113.371 GPRESSURE: 2312200 -4.29026 -143.245 -92.9436 -54.6084 71.1886 48.9468 -17.5141 212.108 -62.7752 PRESSAVG: 2312200 -5.19181 -9.70984 -9.29077 -9.70986 2.63429 -14.8903 -9.29086 -14.8903 70.7902 GPRESSAVG: 2312200 -4.13218 -9.2788 -10.4042 -9.88261 2.27628 -16.4146 -9.8912 -12.6493 70.5686 TIMING: 2312200 CPU: 6970.63, 0.00301257/step Wall: 6970.63, 0.00301257/step, 2.24922 hours remaining, 209.921875 MB of memory in use. ENERGY: 2312200 770.2915 2052.8963 1921.0996 110.5791 -206427.0121 17901.2751 0.0000 0.0000 34222.2654 -149448.6051 298.8716 -183670.8705 -149346.1569 299.0660 -29.0335 1.3744 556743.1636 22.7442 22.9042 LDB: ============= START OF LOAD BALANCING ============== 6974.15 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6974.15 LDB: =============== DONE WITH MIGRATION ================ 6974.15 LDB: ============= START OF LOAD BALANCING ============== 6974.45 LDB: Largest compute 4800 load 0.032261 is 27.4% of average load 0.117913 LDB: Average compute 0.001721 is 1.5% of average load 0.117913 LDB: TIME 6974.46 LOAD: AVG 0.117913 MAX 0.206469 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.973 MB LDB: TIME 6974.46 LOAD: AVG 0.117913 MAX 0.206469 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.973 MB LDB: TIME 6974.46 LOAD: AVG 0.117913 MAX 0.206469 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.973 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6974.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6974.46 PRESSURE: 2312400 -122.337 14.8424 112.279 14.8429 -120.37 -334.039 112.28 -334.039 -75.8312 GPRESSURE: 2312400 -80.1364 39.0971 140.681 31.4086 -82.3642 -277.184 153.192 -321.172 -47.6829 PRESSAVG: 2312400 11.6451 -9.73764 13.2556 -9.73764 -22.1847 -36.2991 13.2556 -36.299 42.8394 GPRESSAVG: 2312400 11.1069 -11.677 13.1881 -8.92989 -21.4891 -37.4344 13.6592 -36.2236 42.6945 TIMING: 2312400 CPU: 6971.25, 0.00307227/step Wall: 6971.25, 0.00307227/step, 2.29362 hours remaining, 209.710938 MB of memory in use. ENERGY: 2312400 742.9224 2065.3678 1915.9140 113.9929 -206311.7822 17784.5419 0.0000 0.0000 34222.2327 -149466.8106 298.8713 -183689.0433 -149363.3514 298.5583 -106.1794 -70.0612 556945.6389 10.7666 10.7708 PRESSURE: 2312600 -189.711 129.242 -12.5973 129.241 -83.3104 149.9 -12.5969 149.9 -266.255 GPRESSURE: 2312600 -151.975 122.716 -5.33473 132.365 -22.917 120.006 5.51719 164.953 -270.592 PRESSAVG: 2312600 -27.6983 -44.7936 4.07126 -44.7937 -23.6233 -29.5341 4.07127 -29.5342 14.1181 GPRESSAVG: 2312600 -25.5487 -44.6162 4.78418 -45.5272 -23.8113 -28.9338 1.63509 -29.4128 12.4298 TIMING: 2312600 CPU: 6971.85, 0.00301471/step Wall: 6971.85, 0.00301471/step, 2.25048 hours remaining, 209.914062 MB of memory in use. ENERGY: 2312600 714.2046 2062.9317 1926.2811 105.9687 -206191.4371 17514.6374 0.0000 0.0000 34108.6491 -149758.7644 297.8793 -183867.4136 -149655.1140 298.5704 -179.7587 -148.4946 558202.0647 -12.4012 -12.3101 PRESSURE: 2312800 -159.591 -105.376 -137.643 -105.376 -181.907 178.965 -137.642 178.964 -287.853 GPRESSURE: 2312800 -127.962 -27.1159 -106.732 -153.819 -177.888 164.816 -151.406 155.079 -221.604 PRESSAVG: 2312800 64.9701 24.0135 3.04087 24.0137 -18.1661 -2.95198 3.04092 -2.95205 -28.384 GPRESSAVG: 2312800 63.2577 23.7125 4.35804 25.1528 -17.4189 -0.551533 4.20399 -4.78435 -27.6073 TIMING: 2312800 CPU: 6972.45, 0.00302223/step Wall: 6972.45, 0.00302223/step, 2.25593 hours remaining, 209.914062 MB of memory in use. ENERGY: 2312800 794.8651 2068.4991 1929.4554 114.5710 -206300.1487 17700.6201 0.0000 0.0000 34041.1090 -149651.0289 297.2895 -183692.1380 -149547.9867 297.7795 -209.7837 -175.8178 557578.7876 6.1400 6.0772 PRESSURE: 2313000 469.815 -23.5748 -105.19 -23.5762 40.0668 -42.9811 -105.189 -42.9805 166.497 GPRESSURE: 2313000 458.399 45.6295 -126.417 -113.582 128.637 -25.5086 -59.7906 65.7421 185.874 PRESSAVG: 2313000 -47.6697 -18.1209 1.21161 -18.1209 -0.375836 26.035 1.21166 26.035 18.0253 GPRESSAVG: 2313000 -48.3215 -15.6799 -0.0382326 -19.0422 -0.186585 26.4457 2.28219 26.2764 18.434 TIMING: 2313000 CPU: 6973.06, 0.00303098/step Wall: 6973.06, 0.00303098/step, 2.26229 hours remaining, 209.914062 MB of memory in use. ENERGY: 2313000 713.1778 2032.4236 1925.3912 103.0669 -206598.5731 18136.2767 0.0000 0.0000 34157.2061 -149531.0308 298.3034 -183688.2369 -149439.5149 298.3034 225.4595 257.6367 556591.8016 -10.0068 -10.0247 PRESSURE: 2313200 -86.942 -15.6217 -2.32026 -15.6218 0.441998 -189.577 -2.31979 -189.579 -28.2818 GPRESSURE: 2313200 -77.858 65.1362 8.95905 -70.9957 53.5122 -222.52 52.7403 -165.026 5.66729 PRESSAVG: 2313200 -35.5532 -27.052 -6.49527 -27.052 24.1781 2.83295 -6.49524 2.83295 39.4769 GPRESSAVG: 2313200 -33.2331 -28.5531 -5.87415 -28.27 24.0188 3.063 -7.68206 1.71718 37.7457 TIMING: 2313200 CPU: 6973.67, 0.00303093/step Wall: 6973.67, 0.00303093/step, 2.26209 hours remaining, 209.914062 MB of memory in use. ENERGY: 2313200 727.8085 2152.9137 1913.0564 105.2132 -206489.4000 17938.4059 0.0000 0.0000 34176.2960 -149475.7064 298.4701 -183652.0023 -149372.7792 297.7514 -38.2606 -6.2262 556988.0565 9.3673 9.5105 PRESSURE: 2313400 55.3984 83.4822 60.2219 83.4806 236.624 30.4581 60.2216 30.4592 147.491 GPRESSURE: 2313400 10.3481 5.10704 56.8009 -9.76588 286.228 22.6789 64.3233 70.1126 231.867 PRESSAVG: 2313400 -32.6906 5.44393 -26.5337 5.44391 67.9256 -31.8701 -26.5338 -31.8701 -22.6742 GPRESSAVG: 2313400 -34.7563 5.53158 -26.9479 8.89626 67.4549 -33.6959 -27.533 -29.8909 -20.1265 TIMING: 2313400 CPU: 6974.27, 0.003022/step Wall: 6974.27, 0.003022/step, 2.25525 hours remaining, 209.914062 MB of memory in use. ENERGY: 2313400 742.5895 2078.1134 1924.0973 112.7375 -206395.7364 18173.0134 0.0000 0.0000 34028.8423 -149336.3431 297.1823 -183365.1853 -149245.8503 299.3749 146.5044 176.1478 555354.9514 4.1869 4.1907 PRESSURE: 2313600 61.9212 318.118 -110.747 318.119 -230.888 -85.8078 -110.747 -85.8071 -320.154 GPRESSURE: 2313600 103.023 326.686 -3.84639 216.056 -195.773 -23.7277 -195.963 -150.592 -296.145 PRESSAVG: 2313600 10.2766 9.93769 -1.71494 9.93764 19.323 -48.42 -1.71488 -48.4199 -58.104 GPRESSAVG: 2313600 10.332 9.0728 -2.07664 8.82488 18.6403 -48.0883 0.870511 -47.7011 -57.9577 TIMING: 2313600 CPU: 6974.87, 0.00301577/step Wall: 6974.87, 0.00301577/step, 2.25043 hours remaining, 209.914062 MB of memory in use. ENERGY: 2313600 749.5089 2103.9007 1910.7890 111.4038 -205907.0545 17482.7635 0.0000 0.0000 34318.1578 -149230.5307 299.7090 -183548.6885 -149139.8217 298.8970 -163.0404 -129.6319 556850.5289 -9.5015 -9.6618 PRESSURE: 2313800 -151.904 93.4326 54.6035 93.4352 -3.24527 85.9428 54.6032 85.9436 -150.734 GPRESSURE: 2313800 -126.462 71.644 25.1478 94.9453 99.4565 46.0398 116.432 125.604 -175.185 PRESSAVG: 2313800 117.615 74.237 17.9705 74.237 -5.9498 32.779 17.9704 32.779 -79.7824 GPRESSAVG: 2313800 119.037 74.6207 20.1212 74.8566 -4.42039 31.9393 17.0082 33.5915 -82.694 TIMING: 2313800 CPU: 6975.47, 0.00299914/step Wall: 6975.47, 0.00299914/step, 2.23786 hours remaining, 209.914062 MB of memory in use. ENERGY: 2313800 803.6955 2102.3644 1877.5555 109.2102 -206257.2991 17718.0539 0.0000 0.0000 34051.4400 -149594.9797 297.3797 -183646.4197 -149495.0827 298.1734 -101.9612 -67.3965 555630.8328 10.6278 10.6410 PRESSURE: 2314000 84.0357 13.0709 -42.195 13.0707 -429.269 5.73942 -42.194 5.73986 -299.173 GPRESSURE: 2314000 57.7686 50.7888 -60.3324 1.16623 -370.369 -30.9192 -126.45 29.7658 -233.676 PRESSAVG: 2314000 73.7666 17.5299 -3.15984 17.53 -24.2443 9.14517 -3.15979 9.14524 -47.7 GPRESSAVG: 2314000 72.3665 17.3884 -4.79197 16.5585 -25.0768 10.5599 -3.61095 6.58148 -45.0543 TIMING: 2314000 CPU: 6976.08, 0.00301315/step Wall: 6976.08, 0.00301315/step, 2.24814 hours remaining, 209.984375 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: 2314000 731.8188 2082.6879 1924.3363 123.3023 -206202.1719 17495.6769 0.0000 0.0000 34217.2938 -149627.0560 298.8281 -183844.3498 -149534.6583 298.5831 -214.8020 -182.0921 556327.2281 0.6074 0.7451 PRESSURE: 2314200 -81.438 58.3653 48.9211 58.3654 -81.8632 -113.343 48.9217 -113.343 -249.424 GPRESSURE: 2314200 -27.7354 60.3635 -23.4695 97.0097 -113.998 -88.6177 95.1036 -123.978 -176.483 PRESSAVG: 2314200 53.3571 21.9228 12.928 21.9227 28.7132 -47.6434 12.9279 -47.6434 -45.137 GPRESSAVG: 2314200 54.2639 23.3935 12.3276 20.0811 28.4382 -48.8228 12.9003 -46.4993 -45.1837 TIMING: 2314200 CPU: 6976.67, 0.00298918/step Wall: 6976.67, 0.00298918/step, 2.2301 hours remaining, 209.984375 MB of memory in use. ENERGY: 2314200 736.2971 2139.1500 1928.9926 126.8330 -206509.7142 17881.3325 0.0000 0.0000 33920.8399 -149776.2690 296.2391 -183697.1090 -149688.9484 297.9752 -137.5752 -106.0723 557221.5226 12.3111 12.5061 PRESSURE: 2314400 -205.295 51.9212 149.395 51.9201 -133.97 -25.1712 149.394 -25.1722 -74.2231 GPRESSURE: 2314400 -151.678 48.6698 189.1 86.2754 -126.855 -8.0752 87.5294 -20.0039 -42.8087 PRESSAVG: 2314400 38.0062 -12.4309 13.2169 -12.4308 21.7804 -34.95 13.2169 -34.9501 -19.4502 GPRESSAVG: 2314400 37.4273 -12.5828 12.1729 -10.0252 22.2505 -33.7719 12.3348 -33.5989 -19.5259 TIMING: 2314400 CPU: 6977.27, 0.00297949/step Wall: 6977.27, 0.00297949/step, 2.2227 hours remaining, 209.984375 MB of memory in use. ENERGY: 2314400 731.6276 2037.0070 1947.0852 104.0664 -206462.7980 17686.6144 0.0000 0.0000 34194.3758 -149762.0217 298.6280 -183956.3975 -149668.6337 297.7570 -137.8295 -107.1137 556753.5541 13.4455 13.3840 PRESSURE: 2314600 93.8705 -90.8671 41.5793 -90.8679 65.6474 -76.9595 41.5792 -76.9584 208.02 GPRESSURE: 2314600 118.509 -106.756 26.5889 -116.486 82.1981 -133.684 52.9167 -160.254 257.203 PRESSAVG: 2314600 -54.1647 -2.63719 50.8206 -2.63729 -47.2192 11.8347 50.8206 11.8347 90.0296 GPRESSAVG: 2314600 -53.6973 -3.96069 54.3413 -2.40953 -48.0167 11.2704 50.0169 8.22449 89.5285 TIMING: 2314600 CPU: 6977.87, 0.00298615/step Wall: 6977.87, 0.00298615/step, 2.2275 hours remaining, 209.984375 MB of memory in use. ENERGY: 2314600 750.6125 2043.5576 1950.5223 116.9264 -206780.2746 17960.7942 0.0000 0.0000 34195.2782 -149762.5834 298.6359 -183957.8616 -149668.5700 297.7749 122.5125 152.6366 554335.0095 -3.7848 -4.0618 PRESSURE: 2314800 88.7251 62.1422 138.919 62.1424 99.7701 99.5673 138.918 99.5668 -135.938 GPRESSURE: 2314800 94.3806 121.549 227.263 6.55313 130.453 127.126 72.8251 155.874 -84.867 PRESSAVG: 2314800 -23.5894 -20.6763 12.2976 -20.6761 -7.80821 13.6857 12.2977 13.6857 7.64079 GPRESSAVG: 2314800 -23.9198 -18.4139 12.8152 -21.7197 -7.87495 11.1085 12.1768 17.0878 7.67314 TIMING: 2314800 CPU: 6978.46, 0.0029687/step Wall: 6978.46, 0.0029687/step, 2.21432 hours remaining, 209.984375 MB of memory in use. ENERGY: 2314800 741.1445 2117.5971 1944.4186 116.1495 -206586.5512 17920.8662 0.0000 0.0000 34304.1664 -149442.2090 299.5868 -183746.3753 -149350.3906 298.0097 17.5191 46.6555 555593.6288 -7.9190 -8.0405 PRESSURE: 2315000 332.386 -104.501 12.6251 -104.501 57.0736 -38.6474 12.6262 -38.6484 -168.944 GPRESSURE: 2315000 367.517 -132.288 -0.855027 -72.7614 99.8212 -117.8 6.00517 5.80478 -150.129 PRESSAVG: 2315000 8.25044 -74.7746 1.14913 -74.7746 4.12801 45.9125 1.14914 45.9126 -7.16927 GPRESSAVG: 2315000 9.14224 -77.718 -0.914441 -73.0761 3.22167 49.4995 1.4864 44.9847 -7.22183 TIMING: 2315000 CPU: 6979.06, 0.00298715/step Wall: 6979.06, 0.00298715/step, 2.22791 hours remaining, 209.984375 MB of memory in use. ENERGY: 2315000 704.2729 2055.8877 1941.8741 107.3318 -206180.6105 17864.8347 0.0000 0.0000 34083.2151 -149423.1942 297.6572 -183506.4093 -149323.4251 298.5549 73.5051 105.7363 557070.1302 1.7364 1.7140 PRESSURE: 2315200 -41.2843 -84.5857 -55.5715 -84.5866 23.2167 84.8737 -55.5706 84.8736 105.962 GPRESSURE: 2315200 31.699 -53.7759 -43.0509 -138.961 40.1912 94.3754 -48.2363 115.776 112.109 PRESSAVG: 2315200 28.0494 -14.3841 -33.899 -14.3841 47.3723 15.6872 -33.899 15.6873 -32.1849 GPRESSAVG: 2315200 27.3974 -13.6733 -33.3163 -17.1018 46.9242 15.8287 -33.6106 14.354 -31.9206 TIMING: 2315200 CPU: 6979.66, 0.00301745/step Wall: 6979.66, 0.00301745/step, 2.25035 hours remaining, 209.984375 MB of memory in use. ENERGY: 2315200 708.8431 2174.9027 1906.5200 116.3312 -206327.0782 17754.2907 0.0000 0.0000 34263.9155 -149402.2750 299.2353 -183666.1905 -149302.3589 298.5473 29.2983 61.3332 557308.5767 14.4122 14.1337 PRESSURE: 2315400 -233.696 104.206 77.8712 104.207 -44.2283 149.83 77.8719 149.828 -144.377 GPRESSURE: 2315400 -220.097 156.024 24.0391 3.07792 -6.55827 195.326 49.1983 148.577 -81.0606 PRESSAVG: 2315400 -0.737495 21.2505 15.0737 21.2504 38.1916 -16.9653 15.0736 -16.9653 -6.56631 GPRESSAVG: 2315400 -1.64075 22.8204 13.3053 20.8423 39.1127 -18.3556 15.5104 -16.1883 -5.78188 TIMING: 2315400 CPU: 6980.27, 0.00302307/step Wall: 6980.27, 0.00302307/step, 2.25437 hours remaining, 209.984375 MB of memory in use. ENERGY: 2315400 777.2848 2158.3140 1948.8193 119.1603 -206694.2172 17834.4437 0.0000 0.0000 34424.2849 -149431.9101 300.6358 -183856.1950 -149335.6306 299.9596 -140.7669 -102.5719 557208.8527 10.2959 10.5634 PRESSURE: 2315600 -258.892 -11.2002 206.68 -11.2001 -115.307 -89.4054 206.681 -89.4035 -277.199 GPRESSURE: 2315600 -228.448 -29.9435 321.277 11.0112 -100.633 -61.6275 212.977 -129.611 -233.365 PRESSAVG: 2315600 -40.1933 -30.4933 61.5281 -30.4933 24.0575 8.59454 61.5281 8.59455 23.4111 GPRESSAVG: 2315600 -40.0678 -31.2603 62.7151 -31.2012 23.7995 8.34461 61.5092 7.24354 22.9631 TIMING: 2315600 CPU: 6980.87, 0.00301178/step Wall: 6980.87, 0.00301178/step, 2.24578 hours remaining, 209.984375 MB of memory in use. ENERGY: 2315600 741.8400 2143.5234 1870.3782 119.5040 -206106.4060 17687.9909 0.0000 0.0000 34261.1889 -149281.9804 299.2115 -183543.1693 -149182.2144 299.6793 -217.1326 -187.4819 559079.6566 2.4251 2.2316 PRESSURE: 2315800 -46.2747 -161.148 42.9851 -161.146 45.0441 80.3726 42.9847 80.373 61.7235 GPRESSURE: 2315800 -59.1549 -159.644 79.8571 -200.911 148.559 8.69359 36.8626 43.1338 61.2982 PRESSAVG: 2315800 38.0718 -31.3007 94.0852 -31.3008 -67.0817 -21.1359 94.0852 -21.1359 -2.8653 GPRESSAVG: 2315800 37.9888 -32.4288 93.0144 -28.6495 -67.0129 -19.8006 95.5019 -22.6982 -2.49473 TIMING: 2315800 CPU: 6981.47, 0.00299447/step Wall: 6981.47, 0.00299447/step, 2.23271 hours remaining, 209.984375 MB of memory in use. ENERGY: 2315800 688.7118 2110.4940 1910.4516 116.6369 -206558.2540 17967.9731 0.0000 0.0000 34467.1900 -149296.7966 301.0105 -183763.9866 -149198.1837 299.0578 20.1643 50.2343 558426.1281 -10.6251 -10.5063 PRESSURE: 2316000 -202.064 -95.9752 39.7621 -95.974 -7.07957 122.765 39.763 122.766 -298.049 GPRESSURE: 2316000 -185.232 -99.7765 33.0467 -25.8901 -25.1747 109.517 68.6555 149.516 -206.516 PRESSAVG: 2316000 21.9936 14.7254 25.5921 14.7255 30.8196 7.63834 25.592 7.63841 -46.4632 GPRESSAVG: 2316000 20.854 16.5165 25.4062 15.0965 30.315 7.53216 24.894 10.7108 -44.6744 TIMING: 2316000 CPU: 6982.06, 0.00298049/step Wall: 6982.06, 0.00298049/step, 2.22212 hours remaining, 209.984375 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: 2316000 716.8303 2124.9085 1930.2571 111.8306 -206104.6166 17604.0710 0.0000 0.0000 34319.4945 -149297.2247 299.7207 -183616.7192 -149203.3160 299.1988 -169.0642 -138.9743 556940.3499 2.1167 2.1649 PRESSURE: 2316200 258.855 -4.89884 -181.666 -4.89887 -137.877 102.678 -181.666 102.678 -111.461 GPRESSURE: 2316200 257.57 -5.46599 -175.417 -69.4075 -74.7065 150.216 -158.485 33.6515 -83.0099 PRESSAVG: 2316200 43.6626 -35.4637 34.374 -35.4637 -100.072 60.0476 34.3741 60.0476 55.6182 GPRESSAVG: 2316200 44.6467 -35.9736 35.6837 -36.5363 -100.2 61.0795 33.0096 59.2871 54.7538 TIMING: 2316200 CPU: 6982.66, 0.00298595/step Wall: 6982.66, 0.00298595/step, 2.22603 hours remaining, 209.984375 MB of memory in use. ENERGY: 2316200 743.5621 2065.7336 1912.1713 116.6051 -206150.0217 17672.1414 0.0000 0.0000 34307.3806 -149332.4276 299.6149 -183639.8083 -149237.7368 299.3165 3.1722 33.2846 556057.9343 -0.2637 -0.2665 LDB: ============= START OF LOAD BALANCING ============== 6986.18 LDB: ============== END OF LOAD BALANCING =============== 6986.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6986.18 LDB: ============= START OF LOAD BALANCING ============== 6986.48 LDB: Largest compute 4800 load 0.030407 is 25.8% of average load 0.118033 LDB: Average compute 0.001726 is 1.5% of average load 0.118033 LDB: TIME 6986.48 LOAD: AVG 0.118033 MAX 0.208093 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.609 MB LDB: TIME 6986.48 LOAD: AVG 0.118033 MAX 0.208093 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.812 MB LDB: TIME 6986.48 LOAD: AVG 0.118033 MAX 0.208093 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.812 MB LDB: ============== END OF LOAD BALANCING =============== 6986.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6986.49 PRESSURE: 2316400 -43.9406 -161.06 -70.3077 -161.06 -49.4868 -59.6487 -70.3057 -59.6472 -84.7299 GPRESSURE: 2316400 8.46752 -209.567 -89.1815 -150.625 15.3834 -98.0558 -84.0434 -14.3744 -103.928 PRESSAVG: 2316400 26.7519 -5.85737 -36.1605 -5.85746 -101.37 26.7227 -36.1606 26.7228 67.5624 GPRESSAVG: 2316400 27.1204 -6.52882 -35.762 -4.4175 -101.193 24.507 -34.4157 26.7993 66.5838 TIMING: 2316400 CPU: 6983.27, 0.00306104/step Wall: 6983.27, 0.00306104/step, 2.28183 hours remaining, 209.164062 MB of memory in use. ENERGY: 2316400 736.6183 2007.7985 1919.7976 106.0885 -205525.4830 17494.5952 0.0000 0.0000 33929.1855 -149331.3995 296.3120 -183260.5849 -149240.1391 298.9785 -59.3858 -26.6924 556891.2997 -2.3519 -2.4962 PRESSURE: 2316600 -248.003 -87.7665 -105.817 -87.7677 -228.353 -195.714 -105.818 -195.715 34.9955 GPRESSURE: 2316600 -178.945 -52.0697 -87.5379 -136.179 -256.435 -90.8106 -101.048 -242.276 89.6898 PRESSAVG: 2316600 -35.2845 -11.7417 23.7488 -11.7417 -28.742 21.554 23.7488 21.5541 61.9535 GPRESSAVG: 2316600 -35.8456 -10.9616 21.6811 -13.7466 -29.9166 20.6407 24.2421 21.7067 62.8006 TIMING: 2316600 CPU: 6983.87, 0.00300533/step Wall: 6983.87, 0.00300533/step, 2.24014 hours remaining, 209.164062 MB of memory in use. ENERGY: 2316600 721.9878 2059.1785 1941.1084 105.2584 -205918.2777 17519.8748 0.0000 0.0000 34168.5248 -149402.3451 298.4022 -183570.8699 -149307.7551 298.7553 -147.1201 -115.2303 557250.9176 -0.6910 -0.9872 PRESSURE: 2316800 -58.1408 4.1673 -108.154 4.16671 -110.017 -97.0906 -108.155 -97.091 139.52 GPRESSURE: 2316800 29.8635 43.2522 -115.323 77.8493 -82.546 -98.9805 -62.6218 -99.2225 118.392 PRESSAVG: 2316800 53.1552 21.0956 -5.78065 21.0956 -93.6835 -10.8496 -5.78054 -10.8495 54.891 GPRESSAVG: 2316800 53.7558 21.1254 -5.36965 21.5329 -93.7837 -10.9334 -7.24724 -8.81841 54.646 TIMING: 2316800 CPU: 6984.47, 0.00298931/step Wall: 6984.47, 0.00298931/step, 2.22803 hours remaining, 209.164062 MB of memory in use. ENERGY: 2316800 733.8611 2058.0287 1936.5522 105.4636 -206199.8391 17677.2500 0.0000 0.0000 34189.1684 -149499.5152 298.5825 -183688.6835 -149408.7171 298.5098 -9.5459 21.9032 556921.3084 4.7876 4.8727 PRESSURE: 2317000 112.48 189.589 45.3481 189.59 -232.378 74.2247 45.3487 74.2258 344.318 GPRESSURE: 2317000 148.812 128.524 25.7563 200.751 -177.443 53.1262 81.3549 47.1494 361.747 PRESSAVG: 2317000 24.191 28.4497 -17.5336 28.4497 -26.147 17.3795 -17.5336 17.3794 9.70715 GPRESSAVG: 2317000 24.6662 30.5955 -16.986 28.0188 -25.4845 19.0462 -15.9399 16.0524 8.90475 TIMING: 2317000 CPU: 6985.07, 0.00298169/step Wall: 6985.07, 0.00298169/step, 2.22219 hours remaining, 209.164062 MB of memory in use. ENERGY: 2317000 748.8672 2083.5628 1932.3057 112.1270 -206151.4667 17780.3757 0.0000 0.0000 33875.1404 -149619.0880 295.8400 -183494.2284 -149524.6416 297.3632 74.8069 111.0383 556537.5924 2.5837 2.6955 PRESSURE: 2317200 8.24609 -40.3481 -25.3888 -40.3484 -213.498 96.6145 -25.389 96.6126 17.0269 GPRESSURE: 2317200 69.855 99.2091 5.55316 -0.874334 -176.819 162.242 -25.5081 59.1177 32.068 PRESSAVG: 2317200 73.8973 18.3998 40.2187 18.3999 -65.3534 62.6457 40.2187 62.6457 39.0519 GPRESSAVG: 2317200 73.8065 16.117 41.0155 19.822 -65.1737 61.9018 40.319 62.4176 39.0166 TIMING: 2317200 CPU: 6985.67, 0.00301402/step Wall: 6985.67, 0.00301402/step, 2.24611 hours remaining, 209.234375 MB of memory in use. ENERGY: 2317200 727.5349 2031.3092 1900.3787 117.9593 -206375.3324 17920.2763 0.0000 0.0000 34195.4528 -149482.4212 298.6374 -183677.8740 -149380.5444 297.6829 -62.7418 -24.9654 558379.0971 15.8653 15.8831 PRESSURE: 2317400 200.152 46.163 39.3 46.1625 123.436 -84.717 39.2996 -84.7151 12.5792 GPRESSURE: 2317400 199.916 35.9579 36.0262 83.6661 171.982 -89.6621 100.949 -19.6127 53.9896 PRESSAVG: 2317400 15.6078 -15.9473 21.2674 -15.9473 15.5692 1.26654 21.2674 1.26662 -44.8915 GPRESSAVG: 2317400 14.6895 -16.5317 20.3286 -15.7412 15.5079 1.88218 22.5222 0.316068 -43.6752 TIMING: 2317400 CPU: 6986.27, 0.00298425/step Wall: 6986.27, 0.00298425/step, 2.22377 hours remaining, 209.234375 MB of memory in use. ENERGY: 2317400 728.9387 2045.9456 1905.8521 118.8656 -206406.4635 18055.3934 0.0000 0.0000 34167.6124 -149383.8556 298.3943 -183551.4680 -149284.8263 298.2316 112.0557 141.9625 558037.0509 -4.5715 -4.4926 PRESSURE: 2317600 189.162 68.6223 47.3443 68.6212 68.8566 -68.9104 47.3448 -68.9099 86.5502 GPRESSURE: 2317600 262.907 94.4501 -8.44283 104.164 102.803 -8.48086 90.6359 -71.0481 78.843 PRESSAVG: 2317600 53.6104 31.3542 -6.16996 31.3541 -41.0997 -33.7673 -6.16999 -33.7674 11.1685 GPRESSAVG: 2317600 53.7121 32.7416 -6.96305 30.2017 -41.0971 -32.6739 -7.03204 -32.9877 10.5199 TIMING: 2317600 CPU: 6986.87, 0.00300356/step Wall: 6986.87, 0.00300356/step, 2.23799 hours remaining, 209.234375 MB of memory in use. ENERGY: 2317600 730.4150 2045.7044 1904.6553 115.5980 -206463.7441 18060.6038 0.0000 0.0000 34184.5075 -149422.2600 298.5418 -183606.7675 -149329.5294 299.0659 114.8564 148.1844 558063.0593 7.8931 7.7116 PRESSURE: 2317800 149.704 121.94 -161.712 121.941 123.66 79.7731 -161.713 79.7728 128.936 GPRESSURE: 2317800 172.473 127.275 -200.948 91.9333 195.162 71.5684 -198.67 98.7722 131.086 PRESSAVG: 2317800 0.183993 33.1182 -1.57376 33.1182 11.9877 -10.4357 -1.57377 -10.4356 36.0381 GPRESSAVG: 2317800 0.794045 30.0544 -0.973599 33.3589 11.7033 -12.9297 -1.84662 -9.80235 36.0344 TIMING: 2317800 CPU: 6987.46, 0.00298275/step Wall: 6987.46, 0.00298275/step, 2.22232 hours remaining, 209.437500 MB of memory in use. ENERGY: 2317800 742.2996 2039.6008 1911.6710 117.5134 -206515.2719 18084.5542 0.0000 0.0000 34357.1535 -149262.4794 300.0496 -183619.6329 -149166.2780 299.3054 134.1000 166.2404 559151.4958 16.0699 16.1772 PRESSURE: 2318000 -315.821 -53.1078 -62.9855 -53.1085 49.1262 -82.3234 -62.9851 -82.3238 299.362 GPRESSURE: 2318000 -217.11 19.2591 -13.9757 -35.1534 35.3163 33.1322 -111.713 -120.216 300.966 PRESSAVG: 2318000 -63.8855 37.6847 2.40773 37.6847 17.8422 23.3125 2.40775 23.3125 55.9088 GPRESSAVG: 2318000 -63.6103 40.3236 2.45039 36.3559 17.7875 24.1829 2.95978 22.1701 55.5129 TIMING: 2318000 CPU: 6988.06, 0.00298726/step Wall: 6988.06, 0.00298726/step, 2.22551 hours remaining, 209.437500 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: 2318000 737.1377 2061.9661 1938.0516 103.7137 -206011.7197 17840.2851 0.0000 0.0000 34181.6004 -149148.9651 298.5164 -183330.5655 -149053.8376 298.8682 10.8891 39.7241 558762.8871 3.2885 3.2300 PRESSURE: 2318200 -106.588 -8.20172 -130.411 -8.20113 68.4033 -83.5494 -130.411 -83.5505 -88.3161 GPRESSURE: 2318200 -128.361 12.5881 -138.578 100.871 185.042 -124.349 -101.04 -75.9168 -74.523 PRESSAVG: 2318200 -62.1028 -15.433 4.09221 -15.433 57.6516 62.7102 4.09216 62.7103 -6.31589 GPRESSAVG: 2318200 -61.8127 -16.8544 6.71098 -14.8166 57.4246 65.4292 3.35775 62.5463 -6.23667 TIMING: 2318200 CPU: 6988.67, 0.0030186/step Wall: 6988.67, 0.0030186/step, 2.24869 hours remaining, 209.437500 MB of memory in use. ENERGY: 2318200 741.9159 2116.7090 1953.1927 122.4873 -206166.2901 17750.4359 0.0000 0.0000 34287.8001 -149193.7491 299.4439 -183481.5493 -149095.5045 299.7276 -42.1670 -5.9471 558372.2756 -3.5890 -3.5416 PRESSURE: 2318400 -72.189 -57.4334 -167.984 -57.4329 -311.618 -12.3799 -167.984 -12.3796 -139.792 GPRESSURE: 2318400 -59.1665 -121.567 -173.181 -64.4479 -265.462 -23.5565 -125.788 24.8711 -102.645 PRESSAVG: 2318400 8.14821 30.4642 16.1022 30.4642 11.3442 -40.6057 16.1023 -40.6056 -43.3065 GPRESSAVG: 2318400 7.9227 30.8684 13.4264 29.727 11.6354 -45.5595 17.3414 -37.7685 -43.0276 TIMING: 2318400 CPU: 6989.27, 0.00299706/step Wall: 6989.27, 0.00299706/step, 2.23248 hours remaining, 209.437500 MB of memory in use. ENERGY: 2318400 715.4935 2051.2192 1936.5287 116.7976 -205662.3692 17480.7028 0.0000 0.0000 34190.4879 -149171.1395 298.5940 -183361.6274 -149069.1175 299.6122 -174.5327 -142.4245 559752.6859 -7.9380 -7.8232 PRESSURE: 2318600 -56.4221 -59.6739 -132.465 -59.6735 35.2198 -61.8543 -132.466 -61.8546 -142.312 GPRESSURE: 2318600 1.654 -68.0932 -96.6766 -133.638 95.1961 -68.9506 -192.929 62.666 -168.706 PRESSAVG: 2318600 74.0007 -32.5575 -44.1837 -32.5574 -66.5173 25.2893 -44.1837 25.2894 -0.649779 GPRESSAVG: 2318600 72.8003 -33.1938 -43.7739 -30.5699 -65.712 28.6987 -44.9054 24.3391 -0.358569 TIMING: 2318600 CPU: 6989.86, 0.00299364/step Wall: 6989.86, 0.00299364/step, 2.22976 hours remaining, 209.437500 MB of memory in use. ENERGY: 2318600 723.9512 2100.7727 1928.6197 102.9831 -206098.8136 17881.5344 0.0000 0.0000 34176.8476 -149184.1049 298.4749 -183360.9525 -149092.6349 298.7540 -54.5047 -23.9520 559121.5642 2.2779 2.2433 PRESSURE: 2318800 -3.47569 -147.604 -133.99 -147.603 -140.73 19.9191 -133.989 19.9198 -131.172 GPRESSURE: 2318800 55.4266 -112.99 -179.425 -149.839 -113.53 -28.1137 -101.941 79.8365 -121.214 PRESSAVG: 2318800 53.8765 -7.1066 -16.8667 -7.10677 -36.2469 -2.67884 -16.8667 -2.67885 -51.3263 GPRESSAVG: 2318800 55.1598 -6.30384 -17.0328 -7.04877 -37.3808 -2.54497 -19.8503 -3.17252 -51.7728 TIMING: 2318800 CPU: 6990.46, 0.00298897/step Wall: 6990.46, 0.00298897/step, 2.22612 hours remaining, 209.437500 MB of memory in use. ENERGY: 2318800 775.1410 2075.2846 1920.3040 114.1684 -206085.6866 17551.3003 0.0000 0.0000 34386.7955 -149262.6928 300.3084 -183649.4884 -149168.6283 299.4320 -91.7923 -59.7723 557224.0427 -11.2322 -11.3312 PRESSURE: 2319000 284.456 64.6341 20.8729 64.6352 128.193 33.5456 20.8721 33.546 211.98 GPRESSURE: 2319000 352.017 45.7543 48.6285 69.7433 130.903 -89.2041 -39.0862 -20.7473 239.788 PRESSAVG: 2319000 92.611 5.46716 0.785328 5.46736 -14.2571 -4.89952 0.785404 -4.89958 -114.028 GPRESSAVG: 2319000 91.3136 5.92292 2.94719 4.21442 -13.3621 -8.29177 2.34376 -4.21161 -113.769 TIMING: 2319000 CPU: 6991.06, 0.00299588/step Wall: 6991.06, 0.00299588/step, 2.2311 hours remaining, 209.437500 MB of memory in use. ENERGY: 2319000 747.5484 2024.0212 1944.8315 111.6531 -206458.6308 18225.1445 0.0000 0.0000 33978.1933 -149427.2387 296.7400 -183405.4320 -149328.1990 298.5253 208.2095 240.9025 556797.5079 -11.8913 -11.9392 PRESSURE: 2319200 -383.685 -36.5016 86.4503 -36.5013 -109.751 -33.299 86.4506 -33.2983 -245.537 GPRESSURE: 2319200 -333.775 27.6758 169.153 -36.5759 -73.5054 -45.388 67.2961 16.3845 -237.415 PRESSAVG: 2319200 38.9619 0.854682 -2.41584 0.854768 -18.2817 -8.27177 -2.41578 -8.27178 20.1084 GPRESSAVG: 2319200 40.905 0.44136 -4.5727 0.879449 -20.2778 -5.39504 -1.70933 -9.67787 19.792 TIMING: 2319200 CPU: 6991.66, 0.00301294/step Wall: 6991.66, 0.00301294/step, 2.24364 hours remaining, 209.437500 MB of memory in use. ENERGY: 2319200 736.8225 2158.8257 1936.1754 107.8635 -205641.1776 17345.1288 0.0000 0.0000 33987.7570 -149368.6048 296.8235 -183356.3617 -149274.6119 298.3055 -246.3246 -214.8986 557162.5852 13.5962 13.4731 PRESSURE: 2319400 135.855 -147.539 -50.1066 -147.54 -206.403 110.138 -50.1061 110.137 55.4233 GPRESSURE: 2319400 165.309 -115.197 -116.041 -164.076 -137.855 104.385 -104.558 133.854 35.3869 PRESSAVG: 2319400 -5.7735 -11.5102 -27.504 -11.5102 21.2138 -11.2843 -27.504 -11.2845 -11.8989 GPRESSAVG: 2319400 -6.3224 -11.6746 -28.3611 -11.1762 20.957 -10.9844 -26.9607 -10.0044 -11.4258 TIMING: 2319400 CPU: 6992.27, 0.00300996/step Wall: 6992.27, 0.00300996/step, 2.24125 hours remaining, 209.437500 MB of memory in use. ENERGY: 2319400 747.4127 2110.8043 1921.4413 107.3139 -206168.7593 17739.4151 0.0000 0.0000 34302.5129 -149239.8590 299.5724 -183542.3719 -149142.3106 299.3679 -5.0414 20.9468 556976.5287 1.1805 1.0696 PRESSURE: 2319600 105.658 -41.2451 72.8806 -41.2436 39.3846 -78.9108 72.88 -78.9103 153.724 GPRESSURE: 2319600 196.077 -8.56051 28.6632 -31.6315 38.8366 -115.216 37.9013 -78.9535 163.835 PRESSAVG: 2319600 46.8754 -27.5742 24.4068 -27.5741 -1.15275 41.4603 24.4067 41.4603 -15.3527 GPRESSAVG: 2319600 45.5231 -28.4423 25.2986 -26.0077 0.374868 40.5271 22.9131 39.448 -15.3191 TIMING: 2319600 CPU: 6992.87, 0.00300087/step Wall: 6992.87, 0.00300087/step, 2.23432 hours remaining, 209.437500 MB of memory in use. ENERGY: 2319600 735.5820 2128.1941 1904.4524 104.2818 -206566.3387 18001.0887 0.0000 0.0000 34500.6459 -149192.0937 301.3027 -183692.7396 -149089.0048 299.5467 99.5889 132.9161 556620.0696 10.1233 10.1930 PRESSURE: 2319800 168.375 -20.8749 -78.6532 -20.8748 -156.951 26.9624 -78.6539 26.9613 -155.051 GPRESSURE: 2319800 176.185 -39.4421 -73.8194 25.8455 -65.519 -29.3539 -102.501 13.7688 -157.803 PRESSAVG: 2319800 -1.22442 -9.65273 10.2679 -9.65265 0.464982 -10.9489 10.2677 -10.9488 30.9762 GPRESSAVG: 2319800 -0.705523 -8.87294 11.3278 -8.80138 -0.831608 -11.7277 11.0625 -10.0077 31.5248 TIMING: 2319800 CPU: 6993.47, 0.00302963/step Wall: 6993.47, 0.00302963/step, 2.25556 hours remaining, 209.437500 MB of memory in use. ENERGY: 2319800 719.9655 2067.4424 1906.1191 111.5822 -206183.8073 17717.0068 0.0000 0.0000 34320.4552 -149341.2361 299.7291 -183661.6914 -149242.4665 299.3099 -47.8756 -15.7123 557190.8050 10.0722 9.9959 PRESSURE: 2320000 -275.917 175.836 69.996 175.835 44.2127 -77.0402 69.9969 -77.0394 -155.562 GPRESSURE: 2320000 -224.892 223.315 -4.66457 205.885 55.8056 -117.346 108.26 -108.982 -132.073 PRESSAVG: 2320000 -72.1372 -6.05164 42.1038 -6.05168 -21.2064 -5.9064 42.1039 -5.90636 18.8668 GPRESSAVG: 2320000 -72.8007 -4.95082 40.2581 -8.12391 -19.23 -4.73426 41.9345 -5.34047 17.581 TIMING: 2320000 CPU: 6994.07, 0.0030081/step Wall: 6994.07, 0.0030081/step, 2.23936 hours remaining, 209.437500 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: 2320000 728.5707 2115.9021 1910.7776 113.9590 -206057.7624 17505.1964 0.0000 0.0000 34431.0023 -149252.3544 300.6945 -183683.3567 -149155.5339 298.6379 -129.0888 -100.3864 557626.6478 -24.8256 -24.8166 PRESSURE: 2320200 68.7872 -93.6201 77.4182 -93.6216 94.0507 -171.197 77.4172 -171.197 -102.339 GPRESSURE: 2320200 76.8212 -40.788 100.578 -85.5864 150.782 -105.041 16.8949 -216.95 -62.9375 PRESSAVG: 2320200 0.216078 34.128 7.83779 34.128 6.8163 -92.1766 7.83782 -92.1765 -16.0913 GPRESSAVG: 2320200 0.0742615 33.0296 9.93898 34.5976 6.31365 -91.6227 7.13362 -91.2151 -15.3884 TIMING: 2320200 CPU: 6994.67, 0.00300481/step Wall: 6994.67, 0.00300482/step, 2.23675 hours remaining, 209.437500 MB of memory in use. ENERGY: 2320200 763.6120 2072.9113 1909.4926 112.0740 -206276.3967 17780.4677 0.0000 0.0000 34331.6738 -149306.1654 299.8270 -183637.8391 -149208.0157 299.3457 20.1664 54.8885 556448.5323 -3.0196 -3.0002 LDB: ============= START OF LOAD BALANCING ============== 6998.19 LDB: ============== END OF LOAD BALANCING =============== 6998.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6998.19 LDB: ============= START OF LOAD BALANCING ============== 6998.49 LDB: Largest compute 4800 load 0.031937 is 27.1% of average load 0.117952 LDB: Average compute 0.001735 is 1.5% of average load 0.117952 LDB: TIME 6998.5 LOAD: AVG 0.117952 MAX 0.206222 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.461 MB LDB: TIME 6998.5 LOAD: AVG 0.117952 MAX 0.206222 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.461 MB LDB: TIME 6998.5 LOAD: AVG 0.117952 MAX 0.206222 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.461 MB LDB: ============== END OF LOAD BALANCING =============== 6998.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6998.5 PRESSURE: 2320400 -68.4238 40.2705 63.4348 40.2703 -154.52 -113.104 63.4351 -113.104 -264.324 GPRESSURE: 2320400 -14.1763 78.9454 62.2529 109.961 -147.614 -132.753 3.4607 -150.744 -222.108 PRESSAVG: 2320400 -52.3311 -19.0994 10.687 -19.0994 37.8834 -21.6344 10.6869 -21.6345 11.0869 GPRESSAVG: 2320400 -51.692 -20.0698 11.29 -17.8124 37.0634 -21.6197 11.0493 -21.9955 10.4542 TIMING: 2320400 CPU: 6995.29, 0.00305721/step Wall: 6995.29, 0.00305721/step, 2.27558 hours remaining, 207.714844 MB of memory in use. ENERGY: 2320400 756.2521 2105.0008 1948.4360 113.5775 -205901.9595 17536.6976 0.0000 0.0000 34122.5385 -149319.4570 298.0006 -183441.9955 -149223.9848 299.2789 -162.4228 -127.9661 558166.4156 -1.1203 -1.3915 PRESSURE: 2320600 46.0459 115.059 -109.422 115.058 -81.6813 102.866 -109.421 102.866 -177.944 GPRESSURE: 2320600 45.1433 96.5383 -6.37054 80.4082 -29.1342 14.7313 -107.005 82.9865 -129.198 PRESSAVG: 2320600 55.0841 35.0746 29.0657 35.0745 -33.3152 -24.6525 29.0657 -24.6525 -17.6688 GPRESSAVG: 2320600 54.8444 34.5138 30.0368 33.3075 -32.7838 -23.8711 29.6669 -25.9541 -17.8002 TIMING: 2320600 CPU: 6995.88, 0.00299304/step Wall: 6995.88, 0.00299304/step, 2.22765 hours remaining, 207.917969 MB of memory in use. ENERGY: 2320600 712.1651 2095.2391 1945.9192 108.1528 -205910.5577 17684.1883 0.0000 0.0000 34136.7788 -149228.1143 298.1250 -183364.8932 -149133.0088 299.0962 -71.1930 -37.7298 558353.0994 1.3667 1.4201 PRESSURE: 2320800 -92.3695 30.5601 -66.8051 30.5597 -264.232 -92.0854 -66.8041 -92.0856 27.6004 GPRESSURE: 2320800 -100.069 66.6378 -28.5861 22.568 -133.87 -105.185 -93.9266 -75.0812 4.45064 PRESSAVG: 2320800 44.9238 19.6003 11.5439 19.6003 -14.4722 34.5884 11.5439 34.5884 -17.8716 GPRESSAVG: 2320800 44.3144 20.6831 10.1552 20.7341 -14.254 35.0531 9.45884 36.1649 -17.505 TIMING: 2320800 CPU: 6996.48, 0.00298957/step Wall: 6996.48, 0.00298957/step, 2.22491 hours remaining, 207.917969 MB of memory in use. ENERGY: 2320800 732.1640 2093.6607 1912.8102 117.8798 -206420.2372 17802.5514 0.0000 0.0000 34427.9651 -149333.2058 300.6680 -183761.1710 -149230.7605 298.8849 -109.6670 -76.4962 557331.2293 4.1933 4.1851 PRESSURE: 2321000 -67.7215 -24.1929 97.9365 -24.1926 -174.379 81.3296 97.9358 81.331 -39.6705 GPRESSURE: 2321000 -72.3596 28.1632 121.766 -66.8437 -92.9667 35.3167 155.294 63.3378 -9.36184 PRESSAVG: 2321000 24.3699 0.149903 -15.6435 0.149905 46.2256 -9.05489 -15.6435 -9.05485 -46.5923 GPRESSAVG: 2321000 25.3918 0.715573 -16.5949 0.264414 45.1114 -11.2567 -11.9922 -9.14356 -46.7083 TIMING: 2321000 CPU: 6997.09, 0.00301611/step Wall: 6997.09, 0.00301611/step, 2.24449 hours remaining, 207.917969 MB of memory in use. ENERGY: 2321000 777.6853 2101.7208 1935.5315 108.4115 -206147.8494 17731.9113 0.0000 0.0000 34129.1782 -149363.4108 298.0586 -183492.5890 -149268.2019 298.5639 -93.9237 -58.2294 557087.8126 8.0011 7.9316 PRESSURE: 2321200 -8.06853 32.173 -6.78965 32.1733 -80.995 -21.1063 -6.78966 -21.1073 -157.721 GPRESSURE: 2321200 -11.5762 103.189 115.797 132.183 -75.808 -18.301 -61.6974 -16.0935 -66.8251 PRESSAVG: 2321200 34.5919 14.9156 -6.60788 14.9157 -5.89852 -15.9897 -6.60788 -15.9897 -45.8266 GPRESSAVG: 2321200 34.3239 15.2639 -6.53806 13.9524 -6.60205 -15.7938 -8.04663 -17.1404 -45.3796 TIMING: 2321200 CPU: 6997.69, 0.00300583/step Wall: 6997.69, 0.00300583/step, 2.23667 hours remaining, 207.917969 MB of memory in use. ENERGY: 2321200 734.1825 2153.5929 1934.0474 106.3304 -205938.5233 17585.0769 0.0000 0.0000 34286.0476 -149139.2457 299.4286 -183425.2933 -149044.0436 299.2432 -82.2614 -51.4031 558988.4092 -5.7111 -5.8859 PRESSURE: 2321400 216.317 8.77665 -82.5568 8.7768 -233.747 64.9527 -82.5571 64.9532 -130.349 GPRESSURE: 2321400 252.511 36.5095 -73.8878 -38.1462 -221.503 31.84 -69.3801 76.8486 -78.2368 PRESSAVG: 2321400 47.6761 7.26175 67.179 7.26179 -18.1263 36.3559 67.179 36.3559 -22.5237 GPRESSAVG: 2321400 47.9319 7.00506 67.6084 7.75007 -17.0992 38.5957 67.5749 35.4557 -23.1532 TIMING: 2321400 CPU: 6998.29, 0.00303016/step Wall: 6998.29, 0.00303016/step, 2.25461 hours remaining, 207.917969 MB of memory in use. ENERGY: 2321400 750.5872 2068.3445 1952.2537 100.7605 -206020.9277 17682.0143 0.0000 0.0000 34221.8210 -149245.1464 298.8677 -183466.9674 -149149.8121 298.6116 -49.2596 -15.7429 556560.9362 2.3420 2.5598 PRESSURE: 2321600 -11.1298 37.2604 151.136 37.26 -217.248 -2.53928 151.136 -2.53873 127.462 GPRESSURE: 2321600 26.4909 68.8813 148.773 81.8126 -192.31 -63.8409 87.4384 -35.62 168.581 PRESSAVG: 2321600 86.6834 19.7105 50.7669 19.7104 -11.9394 -0.119113 50.7668 -0.119076 -42.8213 GPRESSAVG: 2321600 85.8727 19.6239 50.2688 21.243 -11.4673 -0.385119 49.9906 0.857352 -42.5296 TIMING: 2321600 CPU: 6998.9, 0.00303066/step Wall: 6998.9, 0.00303066/step, 2.25481 hours remaining, 207.917969 MB of memory in use. ENERGY: 2321600 711.2633 2085.1608 1928.5760 112.8246 -206266.8919 17841.1873 0.0000 0.0000 34365.7277 -149222.1521 300.1244 -183587.8798 -149125.5139 299.3956 -33.6385 0.9205 557567.3122 10.6409 10.6253 PRESSURE: 2321800 -70.9058 21.7263 59.7591 21.725 -86.9715 -29.0655 59.7581 -29.0652 43.2367 GPRESSURE: 2321800 -32.5091 16.9926 158.125 89.783 -36.6708 -16.5505 0.859292 -29.6489 47.7087 PRESSAVG: 2321800 23.3636 58.6018 27.8226 58.6018 34.3598 30.7785 27.8226 30.7786 -17.1413 GPRESSAVG: 2321800 23.2118 57.0987 27.8524 57.4586 35.3918 28.2896 29.2667 32.0216 -17.8021 TIMING: 2321800 CPU: 6999.5, 0.00302955/step Wall: 6999.5, 0.00302955/step, 2.25382 hours remaining, 207.917969 MB of memory in use. ENERGY: 2321800 700.2771 2099.6157 1937.0604 106.1974 -206328.2807 17814.3873 0.0000 0.0000 34504.5252 -149166.2176 301.3366 -183670.7428 -149061.7148 300.0467 -38.2135 -7.1571 557927.6513 13.5274 13.6005 PRESSURE: 2322000 309.343 116.375 -27.577 116.374 -11.7038 28.0779 -27.5762 28.0773 197.002 GPRESSURE: 2322000 324.401 209.568 -19.6747 51.9174 67.0001 36.9219 -28.1694 -50.8249 210.131 PRESSAVG: 2322000 33.7732 -2.63899 -44.0978 -2.63901 -92.8923 46.6815 -44.0978 46.6814 41.6219 GPRESSAVG: 2322000 34.0607 -2.14613 -43.8089 -1.08237 -93.6308 47.6955 -45.1687 44.0853 42.4967 TIMING: 2322000 CPU: 7000.11, 0.0030158/step Wall: 7000.11, 0.0030158/step, 2.24342 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: 2322000 720.5909 2120.9644 1914.4663 118.2612 -207059.8665 18394.3193 0.0000 0.0000 34548.3973 -149242.8672 301.7197 -183791.2645 -149142.1238 299.5004 164.8802 200.5108 557373.4064 -5.8324 -5.6912 PRESSURE: 2322200 -150.384 124.833 -29.8373 124.831 -455.818 104.449 -29.8382 104.447 -258.42 GPRESSURE: 2322200 -151.662 119.008 19.6971 80.6415 -395.628 44.3333 -11.9513 134.421 -229.546 PRESSAVG: 2322200 30.592 -25.1013 -30.3533 -25.1012 -22.8388 19.4985 -30.3533 19.4985 28.1269 GPRESSAVG: 2322200 30.1836 -24.3654 -31.0736 -27.045 -22.5137 18.728 -29.9382 22.333 27.999 TIMING: 2322200 CPU: 7000.71, 0.00299512/step Wall: 7000.71, 0.00299512/step, 2.22787 hours remaining, 207.917969 MB of memory in use. ENERGY: 2322200 736.4825 2073.3928 1937.5391 113.2783 -205905.5542 17462.3504 0.0000 0.0000 34151.9881 -149430.5229 298.2578 -183582.5110 -149329.9769 299.4360 -288.2071 -258.9455 558402.4279 11.9600 11.8896 PRESSURE: 2322400 -270.455 -120.814 -109.681 -120.814 43.042 210.791 -109.682 210.791 -241.28 GPRESSURE: 2322400 -166.374 -177.479 -174.647 -111.698 -1.59782 155.718 -26.0005 258.66 -213.463 PRESSAVG: 2322400 54.8443 -4.47521 46.8765 -4.47522 -15.0842 46.1932 46.8766 46.1933 -23.7597 GPRESSAVG: 2322400 55.1338 -5.02382 46.5904 -3.23999 -15.0044 46.5915 47.5711 43.773 -23.71 TIMING: 2322400 CPU: 7001.31, 0.00302208/step Wall: 7001.31, 0.00302208/step, 2.24776 hours remaining, 207.917969 MB of memory in use. ENERGY: 2322400 753.4225 2162.4953 1916.8037 109.8050 -206385.6958 17814.7716 0.0000 0.0000 34284.8720 -149343.5257 299.4183 -183628.3977 -149247.6916 298.8463 -156.2310 -127.1449 557586.8088 5.3335 5.4731 PRESSURE: 2322600 134.877 105.274 -25.7738 105.274 238.408 -118.583 -25.7727 -118.582 -146.786 GPRESSURE: 2322600 200.147 79.9521 -24.3773 126.298 281.903 -121.821 30.5577 -8.23704 -161.203 PRESSAVG: 2322600 37.7428 -34.676 -40.7152 -34.676 7.16658 -5.65218 -40.7153 -5.65218 -26.0704 GPRESSAVG: 2322600 37.4563 -37.2244 -40.1328 -34.5278 6.28516 -4.12594 -41.0391 -5.49624 -25.6346 TIMING: 2322600 CPU: 7001.91, 0.00300504/step Wall: 7001.91, 0.00300504/step, 2.23492 hours remaining, 207.917969 MB of memory in use. ENERGY: 2322600 771.7870 2085.0826 1923.6938 106.2043 -206651.4791 18027.5402 0.0000 0.0000 34267.3176 -149469.8537 299.2650 -183737.1713 -149381.7994 298.6367 75.4995 106.9492 557037.1463 6.2797 6.0356 PRESSURE: 2322800 -17.3979 11.3006 -84.087 11.3002 332.217 -165.337 -84.0862 -165.336 134.206 GPRESSURE: 2322800 18.9024 -32.7292 -41.7597 87.4048 405.797 -218.05 -103.905 -33.7728 129.137 PRESSAVG: 2322800 13.5264 7.08925 25.5223 7.08924 -0.932005 15.0525 25.5223 15.0524 -9.78538 GPRESSAVG: 2322800 14.3418 9.49815 24.1305 6.38276 -0.469953 15.7333 25.4803 15.8926 -10.5328 TIMING: 2322800 CPU: 7002.52, 0.00302016/step Wall: 7002.52, 0.00302016/step, 2.24599 hours remaining, 207.917969 MB of memory in use. ENERGY: 2322800 732.5933 2083.3005 1921.4599 107.5865 -206642.5420 18167.2556 0.0000 0.0000 34008.9988 -149621.3473 297.0090 -183630.3461 -149526.3503 297.8147 149.6750 184.6121 556528.1603 0.9363 1.1130 PRESSURE: 2323000 -123.806 -130.49 -149.938 -130.491 -228.849 -52.4936 -149.938 -52.4924 -35.9449 GPRESSURE: 2323000 -140.13 -132.62 -153.835 -27.7558 -141.883 -50.9948 -141.283 -60.8897 1.93912 PRESSAVG: 2323000 43.8097 13.4211 -23.1824 13.4211 -22.2954 -30.3859 -23.1824 -30.3858 -1.96214 GPRESSAVG: 2323000 43.6684 11.4475 -23.5823 14.0487 -22.1768 -31.5217 -23.6892 -30.9292 -2.29566 TIMING: 2323000 CPU: 7003.12, 0.00303448/step Wall: 7003.12, 0.00303448/step, 2.25647 hours remaining, 207.917969 MB of memory in use. ENERGY: 2323000 712.7922 2040.5521 1908.4487 113.5959 -206231.3551 17558.0689 0.0000 0.0000 34380.4643 -149517.4331 300.2531 -183897.8973 -149412.0287 297.3779 -129.5333 -93.3581 557826.4900 6.5174 6.3986 PRESSURE: 2323200 95.2714 5.62165 318.06 5.62199 152.737 69.5259 318.061 69.5244 -100.838 GPRESSURE: 2323200 117.223 53.4562 289.413 -28.6962 174.104 -45.0851 379.942 145.917 -49.5755 PRESSAVG: 2323200 68.411 -7.48206 -16.2654 -7.48218 -15.3581 -29.1695 -16.2654 -29.1696 -19.0793 GPRESSAVG: 2323200 68.7537 -7.03729 -13.5892 -7.76104 -16.3013 -30.0035 -17.93 -29.6327 -18.0254 TIMING: 2323200 CPU: 7003.73, 0.00301986/step Wall: 7003.73, 0.00301986/step, 2.24544 hours remaining, 207.917969 MB of memory in use. ENERGY: 2323200 767.0545 2024.6165 1906.5704 107.0623 -206458.1655 17863.0446 0.0000 0.0000 34291.2324 -149498.5849 299.4739 -183789.8173 -149395.0176 298.8673 49.0565 80.5838 555546.3662 11.3246 11.4757 PRESSURE: 2323400 -321.77 33.1977 -135.198 33.1979 -256.361 -105.181 -135.198 -105.18 -23.1095 GPRESSURE: 2323400 -258.224 68.853 -41.3386 29.4172 -213.879 -135.846 -142.4 -53.8252 -29.8288 PRESSAVG: 2323400 58.0367 -2.7818 32.6404 -2.78179 31.1178 36.7447 32.6405 36.7446 -32.5891 GPRESSAVG: 2323400 58.2429 -1.44967 32.1881 -3.93558 33.1338 37.6863 33.7063 36.7876 -34.7268 TIMING: 2323400 CPU: 7004.33, 0.00301383/step Wall: 7004.33, 0.00301383/step, 2.24078 hours remaining, 207.917969 MB of memory in use. ENERGY: 2323400 723.7167 2132.6281 1921.9736 105.5567 -206297.2107 17587.2152 0.0000 0.0000 34216.3841 -149609.7363 298.8202 -183826.1203 -149517.5699 297.9320 -200.4136 -167.3104 557014.1204 18.8551 18.8833 PRESSURE: 2323600 135.362 51.1535 50.3936 51.1531 62.5867 -60.5232 50.3934 -60.5218 9.90671 GPRESSURE: 2323600 180.055 -96.2864 38.5216 138.894 78.2572 -55.9831 50.6722 -90.4365 55.1645 PRESSAVG: 2323600 24.3789 -11.2321 -23.5425 -11.2322 -7.0729 -6.19784 -23.5426 -6.19786 -24.0244 GPRESSAVG: 2323600 24.2896 -11.6843 -23.7766 -11.7365 -7.62955 -6.85535 -22.8555 -5.5238 -23.1108 TIMING: 2323600 CPU: 7004.94, 0.00302819/step Wall: 7004.94, 0.00302819/step, 2.25129 hours remaining, 207.917969 MB of memory in use. ENERGY: 2323600 737.6352 2072.0715 1945.7692 108.7060 -206413.3389 17819.0830 0.0000 0.0000 34161.7916 -149568.2825 298.3434 -183730.0741 -149464.6168 298.2781 69.2852 104.4922 555782.3957 -2.2395 -2.1502 PRESSURE: 2323800 -60.095 45.71 81.9691 45.7119 14.1944 -31.9802 81.969 -31.9805 -53.0652 GPRESSURE: 2323800 -47.3433 24.3746 37.7161 26.6436 65.7993 -47.8539 60.6407 -96.4614 -15.3024 PRESSAVG: 2323800 14.576 8.82472 6.53293 8.82474 -16.471 -19.3724 6.53283 -19.3723 36.0879 GPRESSAVG: 2323800 14.435 8.13227 5.92112 10.2576 -16.432 -19.7959 6.72631 -20.1719 37.1748 TIMING: 2323800 CPU: 7005.54, 0.00302776/step Wall: 7005.54, 0.00302776/step, 2.2508 hours remaining, 207.917969 MB of memory in use. ENERGY: 2323800 751.9405 2032.2118 1963.7622 117.5954 -206418.4321 17899.3559 0.0000 0.0000 34028.9038 -149624.6624 297.1829 -183653.5663 -149522.7143 298.1003 -32.9886 1.0512 555706.2547 11.3976 11.7259 PRESSURE: 2324000 -352.531 -46.363 62.3623 -46.3635 -372.247 0.525081 62.3628 0.524867 -264.289 GPRESSURE: 2324000 -275.622 20.5151 81.7578 -25.2524 -376.061 -13.821 0.365954 -39.45 -242.36 PRESSAVG: 2324000 26.8061 -14.4218 -14.0659 -14.4218 -26.493 11.6095 -14.0659 11.6096 19.5874 GPRESSAVG: 2324000 25.0883 -13.6183 -14.5789 -16.4975 -25.8572 11.5672 -13.6458 12.1059 20.2817 TIMING: 2324000 CPU: 7006.14, 0.00300068/step Wall: 7006.14, 0.00300068/step, 2.23051 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: 2324000 756.9099 2066.2554 1927.0761 97.8021 -205939.7384 17389.6968 0.0000 0.0000 34054.2017 -149647.7963 297.4038 -183701.9980 -149550.9567 296.9637 -329.6888 -298.0144 558272.8193 6.6335 6.5043 PRESSURE: 2324200 -120.893 -84.1789 29.6757 -84.1778 -256.691 52.8507 29.6752 52.852 -3.71501 GPRESSURE: 2324200 -95.3681 -63.7178 78.2193 -83.4065 -228.279 -72.7046 -20.256 58.4888 23.8393 PRESSAVG: 2324200 41.9714 69.0737 -5.4221 69.0737 -21.3777 34.0189 -5.42209 34.0189 -23.7941 GPRESSAVG: 2324200 42.8734 69.2385 -4.08395 70.2119 -21.1803 34.1921 -7.99753 35.1058 -24.8589 TIMING: 2324200 CPU: 7006.74, 0.002988/step Wall: 7006.74, 0.002988/step, 2.22092 hours remaining, 207.917969 MB of memory in use. ENERGY: 2324200 802.8501 2031.9852 1954.5261 115.9533 -206462.2251 17805.5829 0.0000 0.0000 34233.9585 -149517.3690 298.9737 -183751.3275 -149420.2770 298.2709 -127.0999 -99.9361 558192.1820 -1.0668 -1.0552 LDB: ============= START OF LOAD BALANCING ============== 7010.25 LDB: ============== END OF LOAD BALANCING =============== 7010.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7010.26 LDB: ============= START OF LOAD BALANCING ============== 7010.56 LDB: Largest compute 4800 load 0.031439 is 26.6% of average load 0.118035 LDB: Average compute 0.001732 is 1.5% of average load 0.118035 LDB: TIME 7010.56 LOAD: AVG 0.118035 MAX 0.207826 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.254 MB LDB: TIME 7010.56 LOAD: AVG 0.118035 MAX 0.207826 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.254 MB LDB: TIME 7010.56 LOAD: AVG 0.118035 MAX 0.207826 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.254 MB LDB: ============== END OF LOAD BALANCING =============== 7010.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7010.56 PRESSURE: 2324400 -3.2173 -29.6601 19.1587 -29.66 -63.1306 60.2411 19.1598 60.2422 7.6744 GPRESSURE: 2324400 4.79602 21.4482 69.7932 -27.9616 6.13347 17.9119 -56.305 121.092 25.0224 PRESSAVG: 2324400 6.91616 -9.40446 -14.385 -9.40451 -12.8084 15.3438 -14.385 15.3438 9.36075 GPRESSAVG: 2324400 6.22257 -10.8945 -15.3515 -7.574 -12.8267 16.4722 -10.8216 14.353 10.2473 TIMING: 2324400 CPU: 7007.35, 0.00304378/step Wall: 7007.35, 0.00304378/step, 2.26221 hours remaining, 210.539062 MB of memory in use. ENERGY: 2324400 736.7774 2080.9000 1937.9271 109.8441 -206219.0695 17826.8215 0.0000 0.0000 33856.9350 -149669.8644 295.6810 -183526.7994 -149575.3483 298.1390 -19.5578 11.9840 556379.3837 1.1562 1.2144 PRESSURE: 2324600 100.952 -48.1864 4.18225 -48.1868 -75.9555 17.7433 4.1813 17.7434 -209.304 GPRESSURE: 2324600 98.4993 -80.7275 65.3868 -58.7351 -32.0985 58.2208 52.4488 -69.5497 -143.653 PRESSAVG: 2324600 75.0988 15.6161 -28.0272 15.616 -30.9363 -2.51835 -28.0273 -2.5183 -24.9493 GPRESSAVG: 2324600 76.2617 15.5887 -27.6211 16.7077 -30.6456 -2.19451 -28.6494 -2.53937 -25.771 TIMING: 2324600 CPU: 7007.95, 0.00299071/step Wall: 7007.95, 0.00299071/step, 2.2226 hours remaining, 211.000000 MB of memory in use. ENERGY: 2324600 762.9850 2095.5695 1942.9496 115.6720 -206633.0459 17830.2613 0.0000 0.0000 34098.2226 -149787.3858 297.7883 -183885.6084 -149696.1138 297.9055 -61.4359 -25.7507 556070.3577 6.4044 6.6150 PRESSURE: 2324800 20.4897 23.6256 157.498 23.6246 -96.4626 0.825828 157.498 0.826887 -149.058 GPRESSURE: 2324800 38.2133 26.6262 115.278 -88.841 4.17875 -30.9742 111.597 39.976 -169.601 PRESSAVG: 2324800 54.7103 0.780874 -24.6374 0.78074 -52.1542 59.4456 -24.6375 59.4455 12.2016 GPRESSAVG: 2324800 53.5318 1.48977 -24.1967 -2.38746 -52.1879 59.8348 -25.3867 58.1816 13.4779 TIMING: 2324800 CPU: 7008.54, 0.00299119/step Wall: 7008.54, 0.00299119/step, 2.22279 hours remaining, 211.000000 MB of memory in use. ENERGY: 2324800 765.9585 2023.7094 1942.8504 108.0982 -206435.4106 17769.3861 0.0000 0.0000 34046.4218 -149778.9864 297.3359 -183825.4081 -149679.8468 297.4508 -75.0102 -42.4031 555192.9873 4.9193 4.9406 PRESSURE: 2325000 294.29 52.3255 -5.81816 52.3269 65.8527 -126.031 -5.81706 -126.032 -29.0834 GPRESSURE: 2325000 244.258 142.048 37.1074 62.0359 157.71 -98.2762 -62.4694 -166.158 30.31 PRESSAVG: 2325000 32.2091 -8.54387 12.954 -8.54389 -36.1898 -45.4442 12.954 -45.444 -35.3431 GPRESSAVG: 2325000 32.7663 -8.16325 13.9417 -9.1605 -36.5393 -45.7158 10.4153 -45.2824 -35.9259 TIMING: 2325000 CPU: 7009.15, 0.00301646/step Wall: 7009.15, 0.00301646/step, 2.2414 hours remaining, 211.000000 MB of memory in use. ENERGY: 2325000 740.7002 2030.2669 1949.2703 108.8208 -206848.3605 18004.7900 0.0000 0.0000 34173.7249 -149840.7874 298.4476 -184014.5123 -149743.8913 297.5985 110.3530 144.0928 556337.5322 -13.1079 -13.2330 PRESSURE: 2325200 -176.617 74.8775 28.5806 74.8776 -211.284 4.77764 28.5806 4.77734 -43.893 GPRESSURE: 2325200 -108.665 108.207 63.3553 64.7732 -162.004 -48.5213 39.4579 22.4972 -61.5821 PRESSAVG: 2325200 26.3986 -79.8985 -2.00816 -79.8984 -86.037 29.8298 -2.00811 29.8297 12.7954 GPRESSAVG: 2325200 26.7619 -78.0936 -3.20646 -78.3455 -86.2804 31.5972 0.685294 29.7795 12.4128 TIMING: 2325200 CPU: 7009.75, 0.00300037/step Wall: 7009.75, 0.00300037/step, 2.22928 hours remaining, 211.000000 MB of memory in use. ENERGY: 2325200 757.8669 2071.3377 1961.7459 116.1712 -206731.4426 17951.8845 0.0000 0.0000 33968.7149 -149903.7214 296.6572 -183872.4363 -149806.2514 297.8011 -143.9315 -110.7506 557111.9162 -15.6143 -15.7019 PRESSURE: 2325400 -83.1829 -135.167 129.934 -135.167 -10.8916 17.2315 129.935 17.2326 -60.9009 GPRESSURE: 2325400 -32.1012 -88.8063 161.547 -145.479 54.6328 -30.9782 123.47 -39.555 -71.9958 PRESSAVG: 2325400 42.0972 35.2348 3.62675 35.2348 -26.5262 -24.4477 3.62671 -24.4478 34.8574 GPRESSAVG: 2325400 41.1936 33.661 4.35173 36.3882 -25.8836 -26.2753 2.3913 -25.5349 35.4881 TIMING: 2325400 CPU: 7010.35, 0.0030004/step Wall: 7010.35, 0.0030004/step, 2.22913 hours remaining, 211.070312 MB of memory in use. ENERGY: 2325400 748.1932 2058.6050 1918.1451 109.0245 -206431.7373 17817.3226 0.0000 0.0000 34020.8459 -149759.6009 297.1125 -183780.4469 -149656.5848 297.4998 -51.6584 -16.4881 555747.3044 16.8095 16.9327 PRESSURE: 2325600 90.3965 -73.9266 -18.4307 -73.926 205.769 61.9508 -18.4308 61.9501 98.2706 GPRESSURE: 2325600 133.313 -41.8622 79.2946 -12.3463 226.812 61.8634 22.1186 88.932 116.664 PRESSAVG: 2325600 77.0953 -56.4372 16.915 -56.4373 -32.4011 21.4652 16.9149 21.4652 28.6528 GPRESSAVG: 2325600 77.4136 -56.0612 20.0248 -59.3593 -32.842 22.9251 16.064 23.725 28.1342 TIMING: 2325600 CPU: 7010.95, 0.00299543/step Wall: 7010.95, 0.00299543/step, 2.22527 hours remaining, 211.070312 MB of memory in use. ENERGY: 2325600 743.3145 2061.1379 1954.2645 122.2973 -206728.8738 18066.1036 0.0000 0.0000 34197.6561 -149584.0997 298.6566 -183781.7559 -149497.2993 297.8958 131.4788 158.9296 556675.6112 24.4490 24.2353 PRESSURE: 2325800 -143.975 115.909 -59.4453 115.911 -131.327 35.0934 -59.4454 35.0915 -325.893 GPRESSURE: 2325800 -88.973 -15.9057 -66.1216 192.333 -140.526 80.9126 -15.842 -14.3898 -268.812 PRESSAVG: 2325800 46.0707 2.16692 13.7987 2.16693 3.18034 -2.35839 13.7988 -2.35839 -10.2815 GPRESSAVG: 2325800 45.2858 0.788704 9.6253 4.18366 3.42742 -5.47541 17.1786 -1.17448 -9.74691 TIMING: 2325800 CPU: 7011.55, 0.00299519/step Wall: 7011.55, 0.00299519/step, 2.22493 hours remaining, 211.070312 MB of memory in use. ENERGY: 2325800 753.6914 2108.4764 1942.6409 112.1761 -206183.6519 17623.4601 0.0000 0.0000 34202.0226 -149441.1844 298.6948 -183643.2070 -149338.1054 298.3793 -200.3985 -166.1034 557014.5255 12.9899 12.9888 PRESSURE: 2326000 -121.365 -112.633 114.62 -112.633 -279.857 -54.9949 114.62 -54.9945 -539.435 GPRESSURE: 2326000 -100.557 -49.244 178.584 -90.5884 -256.481 -13.13 65.6571 -89.5521 -471.764 PRESSAVG: 2326000 65.9048 0.695868 16.3692 0.696008 10.0626 1.59551 16.3693 1.59545 -61.2391 GPRESSAVG: 2326000 65.9433 2.04784 17.9628 -0.211696 8.7044 2.35211 13.8174 0.238622 -59.9101 TIMING: 2326000 CPU: 7012.14, 0.00299675/step Wall: 7012.14, 0.00299675/step, 2.22592 hours remaining, 211.070312 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: 2326000 738.7429 2133.8929 1922.4845 122.1641 -205748.1394 17395.7585 0.0000 0.0000 33957.4092 -149477.6872 296.5585 -183435.0964 -149383.9104 298.3078 -313.5522 -276.2675 559947.6586 4.9094 4.9125 PRESSURE: 2326200 -412.662 164.063 -13.8664 164.065 -436.305 0.382331 -13.8665 0.382223 -443.949 GPRESSURE: 2326200 -344.336 157.358 26.6679 91.4629 -426.162 -24.9209 -71.193 61.0918 -418.656 PRESSAVG: 2326200 -75.131 7.78707 24.7598 7.78705 84.8644 -32.3783 24.7597 -32.3783 -76.2148 GPRESSAVG: 2326200 -75.5756 7.52343 24.2601 7.48479 85.1667 -30.6874 25.4614 -32.9881 -76.3698 TIMING: 2326200 CPU: 7012.74, 0.00298514/step Wall: 7012.74, 0.00298514/step, 2.21713 hours remaining, 211.070312 MB of memory in use. ENERGY: 2326200 772.5559 2094.9596 1912.7541 124.8216 -205832.9815 17243.7309 0.0000 0.0000 34131.4658 -149552.6936 298.0786 -183684.1594 -149460.2759 298.2029 -430.9723 -396.3849 559738.3629 -22.1605 -22.2596 PRESSURE: 2326400 -99.4387 12.581 134.969 12.5811 -232.424 -48.1559 134.97 -48.1562 -121.612 GPRESSURE: 2326400 -92.5085 -42.5716 106.332 37.0902 -214.534 1.04846 141.294 -66.2878 -45.9646 PRESSAVG: 2326400 -9.31141 8.88492 43.0095 8.88482 -19.069 9.61843 43.0095 9.6184 17.6103 GPRESSAVG: 2326400 -7.76771 6.90484 42.8364 10.4056 -18.4292 11.0634 42.5861 7.88772 15.7821 TIMING: 2326400 CPU: 7013.34, 0.00300779/step Wall: 7013.34, 0.00300779/step, 2.23379 hours remaining, 211.070312 MB of memory in use. ENERGY: 2326400 729.8727 2079.1830 1917.2687 106.1413 -206087.2062 17603.2011 0.0000 0.0000 34163.6219 -149487.9175 298.3594 -183651.5394 -149389.5744 298.7568 -151.1581 -117.6690 558967.0561 -3.5901 -3.4716 PRESSURE: 2326600 137.41 51.9638 34.1916 51.9644 -157.015 157.314 34.1919 157.314 4.04353 GPRESSURE: 2326600 117.217 73.5058 -11.962 58.054 -105.944 209.551 48.4608 147.097 69.3738 PRESSAVG: 2326600 -19.809 22.066 76.5143 22.0661 6.00246 -1.04324 76.5143 -1.04331 -6.83344 GPRESSAVG: 2326600 -20.5241 24.2468 75.3878 20.2619 4.52879 -1.26976 77.1996 -1.12202 -4.80891 TIMING: 2326600 CPU: 7013.94, 0.00297231/step Wall: 7013.94, 0.00297231/step, 2.20727 hours remaining, 211.070312 MB of memory in use. ENERGY: 2326600 709.6668 2103.9553 1940.0741 116.4473 -206346.1498 17742.8024 0.0000 0.0000 34303.1563 -149430.0476 299.5780 -183733.2039 -149326.5692 298.6937 -5.1870 26.8823 556726.6859 -6.8800 -6.9347 PRESSURE: 2326800 -70.3035 8.1822 32.2457 8.18309 -142.505 58.3339 32.2442 58.3335 47.3382 GPRESSURE: 2326800 -49.1019 55.0304 55.4325 56.1798 -129.536 128.396 115.431 15.3299 112.144 PRESSAVG: 2326800 36.9767 -49.8758 10.2767 -49.8758 -83.4799 -15.847 10.2768 -15.847 55.2032 GPRESSAVG: 2326800 36.6065 -49.0226 9.28973 -48.1799 -81.4169 -15.6156 11.0232 -15.0797 53.4528 TIMING: 2326800 CPU: 7014.53, 0.0029725/step Wall: 7014.53, 0.0029725/step, 2.20725 hours remaining, 211.070312 MB of memory in use. ENERGY: 2326800 763.2550 2110.2800 1929.0371 109.9043 -206430.2205 17855.8738 0.0000 0.0000 34320.8091 -149341.0613 299.7322 -183661.8704 -149241.0611 299.2801 -55.1569 -22.1644 558128.8926 2.9000 2.8808 PRESSURE: 2327000 -310.579 -15.8744 -12.1332 -15.8753 -264.256 5.42406 -12.1331 5.42602 -47.5905 GPRESSURE: 2327000 -251.365 -55.9421 76.8566 -20.4172 -272.367 14.9243 -37.8563 17.3081 -6.04343 PRESSAVG: 2327000 37.6718 -17.5207 23.9673 -17.5206 -30.602 -11.5514 23.9673 -11.5513 -27.6614 GPRESSAVG: 2327000 38.1469 -20.1403 26.9074 -19.0397 -32.264 -12.6069 24.032 -11.0573 -26.4772 TIMING: 2327000 CPU: 7015.12, 0.00295443/step Wall: 7015.12, 0.00295443/step, 2.19367 hours remaining, 211.082031 MB of memory in use. ENERGY: 2327000 770.8170 2125.6340 1955.1095 121.0691 -206134.7351 17685.7473 0.0000 0.0000 34345.4556 -149130.9026 299.9474 -183476.3582 -149029.2131 299.6724 -207.4752 -176.5917 559095.0982 -6.8639 -6.8648 PRESSURE: 2327200 -214.97 -80.5939 -52.2932 -80.5943 49.967 232.902 -52.2945 232.903 -235.001 GPRESSURE: 2327200 -254.266 -112.024 -50.3723 -131.322 105.731 200.622 16.899 283.587 -157.149 PRESSAVG: 2327200 -25.7097 -16.8511 30.4775 -16.8511 56.0497 23.1107 30.4775 23.1107 -28.7162 GPRESSAVG: 2327200 -26.1464 -13.5402 29.1919 -16.6335 56.6345 22.9265 28.4552 23.1499 -29.5193 TIMING: 2327200 CPU: 7015.72, 0.00298633/step Wall: 7015.72, 0.00298633/step, 2.21719 hours remaining, 211.082031 MB of memory in use. ENERGY: 2327200 775.9145 2140.0473 1926.3808 118.9563 -206234.2397 17813.4793 0.0000 0.0000 34216.0402 -149243.4213 298.8172 -183459.4615 -149155.5278 299.8036 -133.3347 -101.8949 558690.8412 0.5413 0.3229 PRESSURE: 2327400 -95.0274 -105.118 -28.9141 -105.119 -181.177 12.0791 -28.9138 12.0806 -90.3628 GPRESSURE: 2327400 -113.033 -83.3468 30.4299 -85.998 -82.1201 32.8869 38.7392 74.452 -75.2369 PRESSAVG: 2327400 -9.65438 -30.6598 -18.3038 -30.6598 6.64645 9.65642 -18.3038 9.6564 32.7161 GPRESSAVG: 2327400 -8.83248 -32.8108 -14.7107 -28.2853 6.43818 9.7932 -17.4759 9.04073 32.528 TIMING: 2327400 CPU: 7016.32, 0.00298839/step Wall: 7016.32, 0.00298839/step, 2.21855 hours remaining, 211.082031 MB of memory in use. ENERGY: 2327400 719.6534 2074.0364 1912.2857 117.2605 -205750.6439 17521.8220 0.0000 0.0000 34212.6086 -149192.9773 298.7872 -183405.5859 -149095.8543 298.7622 -122.1890 -90.1299 558140.4669 9.9027 10.0446 PRESSURE: 2327600 86.2746 -142.14 -162.706 -142.139 -120.393 92.5981 -162.705 92.5978 -194.37 GPRESSURE: 2327600 143.626 -173.534 -183.84 -155.844 -158.392 131.701 -109.525 32.0846 -113.335 PRESSAVG: 2327600 -12.0094 -5.97632 -37.7396 -5.97642 -43.3027 0.549346 -37.7396 0.549344 53.7862 GPRESSAVG: 2327600 -12.7905 -6.02997 -40.194 -7.66392 -43.8536 0.808061 -37.7521 0.843714 55.1415 TIMING: 2327600 CPU: 7016.92, 0.00299894/step Wall: 7016.92, 0.00299894/step, 2.22621 hours remaining, 211.082031 MB of memory in use. ENERGY: 2327600 738.0423 2073.7417 1930.3188 126.4481 -205841.2919 17573.1838 0.0000 0.0000 34296.3556 -149103.2017 299.5186 -183399.5572 -149012.2878 299.1997 -76.1630 -42.7006 556863.6594 -0.5086 -0.5009 PRESSURE: 2327800 -339.106 -56.1826 -6.01382 -56.1831 4.67347 131.058 -6.01403 131.059 -330.794 GPRESSURE: 2327800 -253.055 -64.2443 -16.4765 -65.9996 5.52267 140.288 -46.4029 62.3012 -318.084 PRESSAVG: 2327800 26.1082 -43.066 2.9374 -43.0661 -13.2726 3.39145 2.93739 3.39138 -28.796 GPRESSAVG: 2327800 25.9361 -43.5515 1.52549 -43.3228 -12.091 4.60162 1.92884 2.37816 -29.8105 TIMING: 2327800 CPU: 7017.51, 0.0029837/step Wall: 7017.51, 0.0029837/step, 2.21473 hours remaining, 211.082031 MB of memory in use. ENERGY: 2327800 716.0286 2085.2482 1909.8326 111.4806 -205858.6471 17520.8238 0.0000 0.0000 34415.9568 -149099.2765 300.5631 -183515.2333 -148998.1085 300.2782 -221.7422 -188.5390 557044.5916 -5.3202 -5.3218 PRESSURE: 2328000 -142.496 35.1308 81.3725 35.1307 38.0384 -26.3825 81.3715 -26.382 85.8843 GPRESSURE: 2328000 -126.629 55.3203 157.8 36.7548 133.782 -7.90745 39.6186 -132.644 70.3432 PRESSAVG: 2328000 -39.8138 -39.7419 34.0086 -39.7418 90.8405 -38.7746 34.0086 -38.7748 -57.2222 GPRESSAVG: 2328000 -39.5807 -41.4238 34.4708 -38.2132 90.383 -40.6252 34.3204 -37.3439 -57.3118 TIMING: 2328000 CPU: 7018.11, 0.00299087/step Wall: 7018.11, 0.00299087/step, 2.21989 hours remaining, 211.082031 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: 2328000 764.5813 2078.9084 1942.1607 109.9305 -205912.6710 17656.4873 0.0000 0.0000 34322.8721 -149037.7306 299.7502 -183360.6027 -148937.4593 300.3276 -6.1910 25.8319 557119.1283 -2.0652 -2.1699 PRESSURE: 2328200 -157.542 110.325 18.6835 110.325 -241.201 22.1632 18.6839 22.1627 -352.76 GPRESSURE: 2328200 -150.932 85.9114 17.0337 91.9732 -197.384 29.1794 77.7879 4.48206 -304.788 PRESSAVG: 2328200 -15.2585 60.0737 64.35 60.0737 51.5549 -12.1795 64.35 -12.1795 -27.3857 GPRESSAVG: 2328200 -15.6651 61.997 64.9484 59.3579 51.9475 -10.3001 63.7176 -12.4893 -27.5136 TIMING: 2328200 CPU: 7018.71, 0.00299174/step Wall: 7018.71, 0.00299174/step, 2.22037 hours remaining, 211.082031 MB of memory in use. ENERGY: 2328200 776.5964 2072.2168 1914.4666 116.8984 -205397.9795 17356.9311 0.0000 0.0000 34327.6201 -148833.2500 299.7916 -183160.8701 -148735.0789 300.1437 -250.5010 -217.7015 559296.5320 2.9703 2.9229 LDB: ============= START OF LOAD BALANCING ============== 7022.23 LDB: ============== END OF LOAD BALANCING =============== 7022.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7022.23 LDB: ============= START OF LOAD BALANCING ============== 7022.53 LDB: Largest compute 4800 load 0.031380 is 26.6% of average load 0.118058 LDB: Average compute 0.001730 is 1.5% of average load 0.118058 LDB: TIME 7022.53 LOAD: AVG 0.118058 MAX 0.209586 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.715 MB LDB: TIME 7022.54 LOAD: AVG 0.118058 MAX 0.209586 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.758 MB LDB: TIME 7022.54 LOAD: AVG 0.118058 MAX 0.209586 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.758 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7022.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7022.54 PRESSURE: 2328400 296.675 -61.1371 -15.9043 -61.1376 126.316 70.8435 -15.9048 70.8438 134.846 GPRESSURE: 2328400 333.747 -124.537 39.8348 -17.409 130.217 34.3996 -62.8085 24.8055 184.778 PRESSAVG: 2328400 66.9728 25.0227 14.2708 25.0227 -16.3805 10.9798 14.2707 10.9799 -16.329 GPRESSAVG: 2328400 66.9695 24.1919 13.9833 24.7359 -16.4595 9.79402 12.4709 11.2188 -16.4245 TIMING: 2328400 CPU: 7019.32, 0.00306726/step Wall: 7019.32, 0.00306726/step, 2.27624 hours remaining, 207.972656 MB of memory in use. ENERGY: 2328400 767.0741 2138.5601 1944.1029 117.7245 -206320.9144 18068.6484 0.0000 0.0000 34517.1166 -148767.6878 301.4466 -183284.8044 -148675.5975 300.8839 185.9458 216.2474 557286.1626 11.4211 11.3618 PRESSURE: 2328600 98.604 -42.3467 9.03498 -42.3468 -209.258 28.705 9.03474 28.7054 -190.755 GPRESSURE: 2328600 119.359 40.6067 68.9447 2.09752 -185.603 18.4094 -78.6826 -76.0802 -140.947 PRESSAVG: 2328600 18.5229 35.6505 21.583 35.6506 54.3605 -7.00765 21.583 -7.0078 -71.5129 GPRESSAVG: 2328600 19.688 35.6022 20.3893 37.2057 53.246 -8.81197 23.5229 -7.08126 -72.2476 TIMING: 2328600 CPU: 7019.92, 0.00299883/step Wall: 7019.92, 0.00299883/step, 2.2253 hours remaining, 207.972656 MB of memory in use. ENERGY: 2328600 758.7336 2094.2878 1932.3993 116.3564 -205892.8393 17598.7903 0.0000 0.0000 34665.7723 -148726.4995 302.7448 -183392.2718 -148627.3608 300.6856 -100.4696 -69.0639 557987.4879 0.4569 0.2288 PRESSURE: 2328800 -73.4874 95.1343 30.4098 95.1343 -62.7565 -60.3643 30.4107 -60.3631 80.9708 GPRESSURE: 2328800 -3.17742 47.1379 49.9428 61.0031 -63.1961 -43.213 -5.37925 -18.3041 96.4806 PRESSAVG: 2328800 0.548472 -10.4632 7.11288 -10.4631 -1.61268 31.7886 7.11293 31.7885 21.1522 GPRESSAVG: 2328800 0.612509 -8.60653 8.85881 -14.0412 -2.1162 33.0348 8.62611 32.2392 21.443 TIMING: 2328800 CPU: 7020.53, 0.0030022/step Wall: 7020.53, 0.0030022/step, 2.22763 hours remaining, 207.972656 MB of memory in use. ENERGY: 2328800 729.6353 2077.7743 1924.4125 118.5578 -206177.9258 17834.5944 0.0000 0.0000 34565.4183 -148927.5333 301.8684 -183492.9515 -148834.3143 300.3881 -18.4244 10.0357 558486.1573 6.6960 6.6464 PRESSURE: 2329000 23.5003 -51.3277 -137.803 -51.3274 39.193 125.549 -137.803 125.549 -167.502 GPRESSURE: 2329000 -32.9714 -21.789 -220.751 -51.648 117.929 145.445 -119.386 43.0454 -95.6838 PRESSAVG: 2329000 4.29021 32.9945 -17.0233 32.9945 16.3987 -1.85995 -17.0232 -1.86013 -28.0438 GPRESSAVG: 2329000 3.3069 32.0387 -16.209 35.4968 17.4454 -1.12684 -19.8579 -3.42771 -27.9679 TIMING: 2329000 CPU: 7021.13, 0.00303898/step Wall: 7021.13, 0.00303898/step, 2.25475 hours remaining, 207.972656 MB of memory in use. ENERGY: 2329000 760.9682 2067.0986 1927.3546 105.8629 -205942.1025 17890.9955 0.0000 0.0000 34181.9840 -149007.8388 298.5198 -183189.8228 -148910.8149 300.4331 -34.9363 -3.5753 559099.7399 -2.4516 -2.4052 PRESSURE: 2329200 88.7867 -4.94443 66.1478 -4.94622 -115.195 7.99584 66.1481 7.9976 -66.0295 GPRESSURE: 2329200 96.4465 8.91392 30.8462 -53.854 -76.3456 -12.0335 17.2469 -41.0531 -20.0055 PRESSAVG: 2329200 42.0846 -28.32 20.8836 -28.32 -32.6928 -5.62243 20.8836 -5.62244 -14.9481 GPRESSAVG: 2329200 40.8576 -27.7189 20.8394 -30.1175 -31.8793 -6.31074 21.0851 -4.39605 -15.0593 TIMING: 2329200 CPU: 7021.73, 0.00300571/step Wall: 7021.73, 0.00300571/step, 2.2299 hours remaining, 207.972656 MB of memory in use. ENERGY: 2329200 724.1441 2175.3816 1953.1612 113.0552 -206054.8033 17872.1399 0.0000 0.0000 34163.6019 -149053.3195 298.3592 -183216.9214 -148958.6576 299.7596 -30.8127 0.0318 558940.6091 -1.8521 -2.0270 PRESSURE: 2329400 -319.831 -6.59596 -108.336 -6.59731 -91.3358 -57.7237 -108.336 -57.723 -161.34 GPRESSURE: 2329400 -248.25 41.2476 -121.463 16.6743 -82.4582 -120.277 -101.592 14.8855 -149.142 PRESSAVG: 2329400 -10.7999 -36.8746 1.90106 -36.8746 -10.6764 -14.7987 1.90113 -14.7988 15.5013 GPRESSAVG: 2329400 -10.4114 -36.6443 1.02176 -34.9092 -11.0386 -16.1608 2.87111 -13.9319 15.5064 TIMING: 2329400 CPU: 7022.33, 0.00300407/step Wall: 7022.33, 0.00300407/step, 2.22852 hours remaining, 207.972656 MB of memory in use. ENERGY: 2329400 769.7871 2123.2241 1942.4662 102.2974 -205882.0432 17474.6525 0.0000 0.0000 34168.3815 -149301.2342 298.4010 -183469.6158 -149206.0414 298.7799 -190.8356 -159.9499 559086.3313 -1.9917 -1.9812 PRESSURE: 2329600 -95.3311 -36.6351 155.734 -36.6354 123.505 142.804 155.734 142.803 -45.4422 GPRESSURE: 2329600 -43.5793 -27.9594 141.094 -39.1918 82.7078 199.425 73.3399 172.955 43.0133 PRESSAVG: 2329600 7.31581 1.53689 37.7108 1.53683 64.4935 -3.89608 37.7109 -3.89605 -51.234 GPRESSAVG: 2329600 8.31323 -0.092621 36.6239 1.54429 63.8798 -3.75731 37.0215 -3.92534 -51.0764 TIMING: 2329600 CPU: 7022.94, 0.00300553/step Wall: 7022.94, 0.00300553/step, 2.22944 hours remaining, 207.972656 MB of memory in use. ENERGY: 2329600 728.0947 2155.7772 1950.2676 112.6369 -206200.7159 17816.6351 0.0000 0.0000 34130.7085 -149306.5959 298.0720 -183437.3044 -149208.8759 298.6492 -5.7560 27.3806 557775.2621 6.8584 7.0389 PRESSURE: 2329800 161.735 83.1392 70.3535 83.1406 198.675 -77.754 70.3531 -77.7544 230.375 GPRESSURE: 2329800 182.914 50.6694 90.2643 124.44 261.886 -43.7082 13.6321 -98.938 239.439 PRESSAVG: 2329800 -90.3717 16.5172 38.0096 16.5174 -36.7844 -1.94973 38.0097 -1.94964 81.1089 GPRESSAVG: 2329800 -91.1621 17.6739 39.2974 15.2561 -35.0846 -0.261283 37.3931 -2.46611 80.0452 TIMING: 2329800 CPU: 7023.54, 0.00300902/step Wall: 7023.54, 0.00300902/step, 2.23186 hours remaining, 207.972656 MB of memory in use. ENERGY: 2329800 761.8048 2137.5393 1960.1098 109.7738 -206722.0316 18152.0655 0.0000 0.0000 34263.8233 -149336.9150 299.2345 -183600.7383 -149246.4684 298.9568 196.9286 228.0799 556408.9888 -15.3491 -15.4005 PRESSURE: 2330000 176.713 92.0383 -53.4233 92.0379 73.8649 -169.863 -53.4225 -169.865 234.29 GPRESSURE: 2330000 182.303 103.671 -14.9505 40.5114 124.468 -174.026 -43.0671 -159.396 290.299 PRESSAVG: 2330000 3.28269 46.7194 17.4402 46.7195 77.2315 8.92637 17.4402 8.92646 -35.6723 GPRESSAVG: 2330000 3.64139 46.0279 17.5783 45.7781 77.5416 7.96766 19.2808 9.37772 -36.152 TIMING: 2330000 CPU: 7024.14, 0.00300724/step Wall: 7024.14, 0.00300724/step, 2.23037 hours remaining, 207.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2330000 771.1774 2084.7505 1974.9071 120.4523 -206762.1207 18203.4030 0.0000 0.0000 34397.6008 -149209.8295 300.4028 -183607.4303 -149116.0911 299.2452 161.6228 199.0233 556014.3993 14.9473 15.0103 PRESSURE: 2330200 55.7967 -257.163 -241.24 -257.164 177.78 -61.7052 -241.241 -61.7054 -90.0383 GPRESSURE: 2330200 62.1411 -245.531 -289.96 -234.552 193.233 -57.7146 -184.873 -39.4463 -33.1765 PRESSAVG: 2330200 -26.517 49.5267 -5.72155 49.5266 21.9137 -64.7672 -5.72166 -64.7671 -8.1006 GPRESSAVG: 2330200 -27.1369 49.9155 -7.37722 49.6026 21.3356 -64.5948 -6.89041 -65.472 -7.51804 TIMING: 2330200 CPU: 7024.74, 0.00299262/step Wall: 7024.74, 0.00299262/step, 2.21936 hours remaining, 207.972656 MB of memory in use. ENERGY: 2330200 729.3769 2101.0072 1941.9993 140.1827 -206412.6721 17932.8984 0.0000 0.0000 34435.2513 -149131.9564 300.7316 -183567.2077 -149036.9483 300.3288 47.8462 74.0660 557444.6311 -4.2347 -4.4398 PRESSURE: 2330400 89.7078 45.042 -192.655 45.0432 153.657 28.8615 -192.654 28.8597 -181.457 GPRESSURE: 2330400 57.7068 42.3128 -149.072 -8.0499 198.01 -81.0354 -228.371 32.2984 -106.416 PRESSAVG: 2330400 38.8828 42.4071 -25.9154 42.4071 36.386 -4.96679 -25.9154 -4.96673 -81.8495 GPRESSAVG: 2330400 39.3492 42.452 -24.2353 42.552 35.3013 -6.98497 -24.5837 -5.08403 -81.1813 TIMING: 2330400 CPU: 7025.34, 0.00298726/step Wall: 7025.34, 0.00298726/step, 2.21522 hours remaining, 207.972656 MB of memory in use. ENERGY: 2330400 718.7662 2116.4491 1964.3830 127.5892 -206035.0174 17773.2561 0.0000 0.0000 34382.4231 -148952.1506 300.2703 -183334.5738 -148855.5204 299.6917 20.6359 49.7670 558721.8557 -2.1936 -2.1769 PRESSURE: 2330600 -235.836 39.332 -137.772 39.3337 -223.604 64.367 -137.773 64.3684 -0.639773 GPRESSURE: 2330600 -196.368 2.25269 -74.227 3.41873 -178.597 117.32 -214.506 13.8624 7.1998 PRESSAVG: 2330600 -13.1898 14.0442 -54.8965 14.0442 24.2919 57.9433 -54.8965 57.9434 -28.8239 GPRESSAVG: 2330600 -14.0966 13.5327 -53.1715 13.772 25.0609 59.6245 -58.0617 58.884 -29.1001 TIMING: 2330600 CPU: 7025.93, 0.00296908/step Wall: 7025.93, 0.00296908/step, 2.20157 hours remaining, 208.042969 MB of memory in use. ENERGY: 2330600 786.3358 2131.9213 1952.4119 109.9791 -206123.2345 17720.1108 0.0000 0.0000 34329.1597 -149093.3159 299.8051 -183422.4756 -148999.5522 299.2590 -153.3600 -122.5885 558950.4209 -5.9072 -6.0453 PRESSURE: 2330800 -2.92543 -153.834 155.939 -153.835 -162.641 28.9616 155.939 28.9623 -294.539 GPRESSURE: 2330800 39.0692 -114.586 164.514 -181.045 -109.888 -75.8883 133.698 63.9884 -289.903 PRESSAVG: 2330800 -64.1974 15.8655 -11.8362 15.8656 74.9103 17.7522 -11.8362 17.7521 -0.373041 GPRESSAVG: 2330800 -64.4191 16.053 -12.9618 16.6549 74.4408 15.7239 -9.74567 17.9697 0.306749 TIMING: 2330800 CPU: 7026.52, 0.00297285/step Wall: 7026.52, 0.00297285/step, 2.2042 hours remaining, 208.042969 MB of memory in use. ENERGY: 2330800 741.0443 2141.5043 1923.7771 113.5548 -206054.4499 17524.7596 0.0000 0.0000 34433.2714 -149176.5384 300.7143 -183609.8098 -149075.1251 300.3907 -153.3684 -120.2407 556660.5266 3.4466 3.4428 PRESSURE: 2331000 146.116 62.8791 -78.3556 62.8786 -17.6966 -69.753 -78.3546 -69.7532 49.0351 GPRESSURE: 2331000 167.903 87.7922 4.62428 4.27145 -0.261217 -166.198 -86.0933 68.2511 103.916 PRESSAVG: 2331000 -10.8075 -26.6411 -4.41308 -26.6412 14.5498 -28.4981 -4.4131 -28.4981 -37.8664 GPRESSAVG: 2331000 -10.0163 -25.9904 -5.79903 -29.2022 13.9887 -26.9628 -3.41381 -29.505 -38.3196 TIMING: 2331000 CPU: 7027.12, 0.00299425/step Wall: 7027.12, 0.00299425/step, 2.2199 hours remaining, 208.042969 MB of memory in use. ENERGY: 2331000 737.3336 2093.4225 1953.9843 121.0379 -206228.2312 17803.3746 0.0000 0.0000 34229.4596 -149289.6186 298.9344 -183519.0782 -149190.5265 299.6329 59.1516 90.5193 555103.7243 -11.3747 -11.4491 PRESSURE: 2331200 -290.572 4.28063 -40.2697 4.27959 -6.06745 -16.0856 -40.2701 -16.0871 -343.523 GPRESSURE: 2331200 -258.987 -34.748 -68.0681 22.1337 -16.1307 61.0772 -3.66672 -28.6856 -270.294 PRESSAVG: 2331200 -25.6393 18.8572 23.7128 18.8572 -4.32772 24.6863 23.7127 24.6862 57.2202 GPRESSAVG: 2331200 -25.0538 17.7274 24.9541 21.0099 -3.80641 25.4844 21.8329 22.9995 56.3212 TIMING: 2331200 CPU: 7027.72, 0.00297609/step Wall: 7027.72, 0.00297609/step, 2.20627 hours remaining, 208.042969 MB of memory in use. ENERGY: 2331200 741.4855 2050.3816 1971.2007 113.2961 -205911.4769 17408.9683 0.0000 0.0000 34499.4515 -149126.6933 301.2923 -183626.1448 -149024.8279 300.0823 -213.3872 -181.8038 557443.3359 9.0844 9.1537 PRESSURE: 2331400 -99.6983 128.659 71.8786 128.659 -61.9369 -165.336 71.8778 -165.335 -95.9056 GPRESSURE: 2331400 -45.053 187.828 110.667 54.8741 -68.0402 -139.693 33.7793 -128.914 -60.4777 PRESSAVG: 2331400 -40.697 27.7198 49.8378 27.7199 21.1201 -69.5709 49.8377 -69.5709 -6.63276 GPRESSAVG: 2331400 -40.8639 28.3996 49.5613 27.7075 21.5278 -68.5745 50.5919 -69.2435 -7.14722 TIMING: 2331400 CPU: 7028.32, 0.00300153/step Wall: 7028.32, 0.00300153/step, 2.22497 hours remaining, 208.042969 MB of memory in use. ENERGY: 2331400 752.1115 2079.7136 1954.2826 108.1072 -206013.8770 17798.8376 0.0000 0.0000 34239.7863 -149081.0382 299.0246 -183320.8245 -148983.0518 299.9064 -85.8469 -57.8570 559122.4460 -8.7365 -8.8278 PRESSURE: 2331600 163.7 67.5905 -31.545 67.5914 -150.349 54.3575 -31.5441 54.3569 -154.738 GPRESSURE: 2331600 187.006 -45.1216 16.0235 194.215 -191.417 52.0687 -115.546 88.4793 -56.0222 PRESSAVG: 2331600 -48.6305 41.114 5.36653 41.1139 82.4591 -15.376 5.36663 -15.376 -24.6531 GPRESSAVG: 2331600 -49.1943 40.3362 6.4575 41.917 81.1034 -17.9146 5.09085 -13.2223 -22.5797 TIMING: 2331600 CPU: 7028.92, 0.00300069/step Wall: 7028.92, 0.00300069/step, 2.22418 hours remaining, 208.042969 MB of memory in use. ENERGY: 2331600 741.2896 2102.5626 1954.3462 114.0542 -205813.5399 17719.7881 0.0000 0.0000 34277.1672 -148904.3320 299.3510 -183181.4992 -148807.6569 299.3232 -47.1291 -20.1443 559176.0552 3.0585 3.1098 PRESSURE: 2331800 40.5898 46.4476 -136.18 46.4466 -261.104 25.7616 -136.18 25.7633 -69.5489 GPRESSURE: 2331800 75.6676 -54.0743 -208.782 19.2307 -169.978 59.1312 -84.3617 10.3681 -92.8767 PRESSAVG: 2331800 -22.1405 28.1045 -2.97019 28.1045 41.9761 -50.6792 -2.97023 -50.6792 -4.43321 GPRESSAVG: 2331800 -21.7619 29.9406 -4.60938 28.8345 43.392 -48.5202 -3.31284 -52.7503 -6.21638 TIMING: 2331800 CPU: 7029.52, 0.00301246/step Wall: 7029.52, 0.00301246/step, 2.23274 hours remaining, 208.042969 MB of memory in use. ENERGY: 2331800 752.7830 2103.5804 1930.6747 111.6996 -205867.6966 17716.7079 0.0000 0.0000 34186.2538 -149065.9972 298.5571 -183252.2510 -148973.9870 300.2141 -96.6878 -62.3958 558544.4047 5.1341 5.1379 PRESSURE: 2332000 318.385 56.6864 76.7819 56.687 -73.4334 -82.1177 76.7815 -82.1169 250.508 GPRESSURE: 2332000 352.181 72.4607 95.6765 37.3495 -21.4111 -78.1998 86.1711 -46.3679 269.68 PRESSAVG: 2332000 23.6657 23.6563 -5.13026 23.6562 13.6198 47.5582 -5.13027 47.5583 -61.1894 GPRESSAVG: 2332000 24.2733 21.7227 -3.46237 22.358 12.7367 44.9316 -3.64279 50.0183 -60.8013 TIMING: 2332000 CPU: 7030.12, 0.003012/step Wall: 7030.12, 0.003012/step, 2.23223 hours remaining, 208.042969 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: 2332000 785.9293 2092.6544 1942.7926 116.4038 -206433.6766 18163.2753 0.0000 0.0000 34231.9686 -149100.6526 298.9563 -183332.6212 -148997.3933 300.0148 165.1535 200.1500 557576.2454 -7.9679 -7.9304 PRESSURE: 2332200 47.5627 103.86 53.8605 103.86 3.1319 -10.1143 53.8602 -10.1149 26.0989 GPRESSURE: 2332200 72.1364 55.9014 -0.560345 97.448 -3.69683 20.0527 113.051 42.0564 102.877 PRESSAVG: 2332200 -5.04941 18.4538 -49.0809 18.4538 12.473 -5.39587 -49.0807 -5.39574 37.4052 GPRESSAVG: 2332200 -6.17838 20.6638 -50.6061 17.5814 13.4861 -4.62433 -51.8987 -6.10459 37.3349 TIMING: 2332200 CPU: 7030.72, 0.00299721/step Wall: 7030.72, 0.00299721/step, 2.2211 hours remaining, 208.042969 MB of memory in use. ENERGY: 2332200 701.9829 2050.7191 1984.2730 115.7967 -206251.7741 17750.0067 0.0000 0.0000 34397.6973 -149251.2985 300.4036 -183648.9958 -149162.5667 300.1134 25.5979 57.1056 556837.0139 14.9429 14.8809 LDB: ============= START OF LOAD BALANCING ============== 7034.24 LDB: ============== END OF LOAD BALANCING =============== 7034.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7034.24 LDB: ============= START OF LOAD BALANCING ============== 7034.54 LDB: Largest compute 4800 load 0.030362 is 25.7% of average load 0.117984 LDB: Average compute 0.001729 is 1.5% of average load 0.117984 LDB: TIME 7034.54 LOAD: AVG 0.117984 MAX 0.204812 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.508 MB LDB: TIME 7034.54 LOAD: AVG 0.117984 MAX 0.204812 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.711 MB LDB: TIME 7034.54 LOAD: AVG 0.117984 MAX 0.204812 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.711 MB LDB: ============== END OF LOAD BALANCING =============== 7034.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7034.55 PRESSURE: 2332400 191.945 -85.615 -128.39 -85.6154 119.173 -73.1048 -128.391 -73.1055 83.0857 GPRESSURE: 2332400 278.734 -126.767 -61.5279 -96.8713 128.637 -51.148 -155.765 -207.409 112.124 PRESSAVG: 2332400 -23.1897 -5.0103 -33.1101 -5.01033 83.5062 -3.38774 -33.1101 -3.38787 -8.05431 GPRESSAVG: 2332400 -22.1643 -6.01694 -31.4936 -2.7389 82.3117 -4.31083 -31.8563 -4.28057 -7.20806 TIMING: 2332400 CPU: 7031.33, 0.00303352/step Wall: 7031.33, 0.00303352/step, 2.24784 hours remaining, 209.128906 MB of memory in use. ENERGY: 2332400 723.3957 2099.5602 1973.4505 117.8857 -206653.3191 18058.8478 0.0000 0.0000 34368.7754 -149311.4038 300.1511 -183680.1792 -149218.3877 299.6451 131.4009 173.1650 557437.3358 17.4207 17.6464 PRESSURE: 2332600 112.616 -19.4238 -155.928 -19.4239 46.4671 -106.768 -155.928 -106.767 18.285 GPRESSURE: 2332600 131.589 0.0144642 -250.919 20.2525 66.1096 -87.4038 -85.7161 -164.555 84.4955 PRESSAVG: 2332600 27.52 -14.7611 -89.222 -14.7612 -26.376 -7.72253 -89.2219 -7.72238 -15.254 GPRESSAVG: 2332600 27.3736 -14.6316 -89.6848 -16.0348 -26.2141 -4.03515 -89.0455 -7.12887 -15.1138 TIMING: 2332600 CPU: 7031.93, 0.00298775/step Wall: 7031.93, 0.00298775/step, 2.21375 hours remaining, 209.386719 MB of memory in use. ENERGY: 2332600 756.2642 2077.9239 1937.2136 124.4744 -206110.9847 17883.3223 0.0000 0.0000 34171.2304 -149160.5559 298.4259 -183331.7863 -149072.7546 299.0701 59.1227 94.0645 556956.3059 -4.7033 -4.6515 PRESSURE: 2332800 44.5903 159.102 -51.0065 159.101 253.391 -106.307 -51.0067 -106.306 -71.4203 GPRESSURE: 2332800 52.5494 29.109 -37.1461 245.825 249.37 -33.7965 -32.3258 -130.919 25.3168 PRESSAVG: 2332800 9.1471 20.2033 -49.663 20.2033 -22.1441 17.804 -49.6631 17.8039 23.3452 GPRESSAVG: 2332800 8.60045 18.4378 -49.8718 19.8994 -21.7051 14.6027 -51.1453 16.3324 23.6653 TIMING: 2332800 CPU: 7032.53, 0.00299281/step Wall: 7032.53, 0.00299281/step, 2.21734 hours remaining, 209.386719 MB of memory in use. ENERGY: 2332800 730.7517 2117.9865 1938.9078 125.4362 -206430.4926 18047.2280 0.0000 0.0000 34181.3048 -149288.8777 298.5138 -183470.1824 -149202.1059 298.9859 75.5203 109.0789 557897.2211 3.4494 3.5202 PRESSURE: 2333000 -200.368 -64.5179 -82.8703 -64.5186 -41.7493 -50.7242 -82.8709 -50.7236 -11.5388 GPRESSURE: 2333000 -147.388 6.91986 -25.6719 -60.1599 -31.8693 -89.4999 -57.9207 -25.0049 38.7741 PRESSAVG: 2333000 -12.3524 7.91875 -29.7378 7.91873 -16.4503 -27.1559 -29.7378 -27.1559 39.4798 GPRESSAVG: 2333000 -11.3966 7.72174 -30.2667 9.96627 -17.0475 -24.8537 -26.8889 -27.362 39.2141 TIMING: 2333000 CPU: 7033.12, 0.0029901/step Wall: 7033.12, 0.0029901/step, 2.21516 hours remaining, 209.457031 MB of memory in use. ENERGY: 2333000 756.2519 2059.8566 1931.0692 105.3079 -206383.8642 17827.4684 0.0000 0.0000 34243.1655 -149460.7447 299.0541 -183703.9102 -149361.8132 299.1398 -84.5521 -46.8276 557856.0683 3.5590 3.5900 PRESSURE: 2333200 -6.15963 -7.86044 -74.5408 -7.85999 180.242 14.3168 -74.541 14.3152 -294.451 GPRESSURE: 2333200 46.2104 25.8935 -88.9505 -57.1193 187.937 44.9636 -40.9651 33.4625 -266.229 PRESSAVG: 2333200 8.67766 -21.8627 -11.3556 -21.8627 -9.02546 -51.5844 -11.3556 -51.5843 -24.3874 GPRESSAVG: 2333200 8.23288 -22.0921 -9.80992 -22.5472 -9.08591 -50.6696 -13.1566 -53.1708 -23.7236 TIMING: 2333200 CPU: 7033.72, 0.00299831/step Wall: 7033.72, 0.00299831/step, 2.22108 hours remaining, 209.457031 MB of memory in use. ENERGY: 2333200 746.5656 2070.3759 1946.5192 105.1777 -206185.3894 17699.3200 0.0000 0.0000 34294.1231 -149323.3079 299.4991 -183617.4310 -149230.5754 298.4906 -40.1231 -10.6937 557884.0466 -8.2451 -8.1922 PRESSURE: 2333400 65.1599 -35.1017 -51.1048 -35.1019 119.314 -53.3127 -51.1042 -53.3123 -17.682 GPRESSURE: 2333400 138.788 -73.8102 -82.1699 -24.661 108.146 -31.0553 17.2547 -166.15 17.5295 PRESSAVG: 2333400 83.5841 -26.9217 -30.6609 -26.9217 -55.7206 -15.2489 -30.6609 -15.2489 -13.2324 GPRESSAVG: 2333400 84.8903 -24.4211 -31.7083 -27.4884 -56.4458 -17.6662 -30.2567 -13.7637 -13.6058 TIMING: 2333400 CPU: 7034.33, 0.00301407/step Wall: 7034.33, 0.00301407/step, 2.23259 hours remaining, 209.457031 MB of memory in use. ENERGY: 2333400 764.9202 2107.8935 1903.3033 108.7109 -206545.9868 18081.7662 0.0000 0.0000 34157.7809 -149421.6118 298.3084 -183579.3927 -149324.4757 299.2639 55.5972 88.1545 556022.5962 4.8770 4.9462 PRESSURE: 2333600 -89.2327 0.929854 86.1916 0.930363 -89.2436 -213.333 86.1918 -213.331 6.41532 GPRESSURE: 2333600 -21.8764 -59.1688 4.82029 58.6189 -76.7225 -192.364 161.339 -262.747 15.2517 PRESSAVG: 2333600 22.6655 -8.21057 54.397 -8.21054 -39.6837 -15.0101 54.3969 -15.0101 19.0897 GPRESSAVG: 2333600 21.3643 -9.64709 55.043 -8.05068 -38.1561 -13.5215 55.0674 -15.1622 18.9386 TIMING: 2333600 CPU: 7034.92, 0.002986/step Wall: 7034.92, 0.002986/step, 2.21163 hours remaining, 209.457031 MB of memory in use. ENERGY: 2333600 770.8080 2080.5452 1931.7201 115.5267 -206248.3381 17645.2674 0.0000 0.0000 34271.0453 -149433.4254 299.2976 -183704.4707 -149331.0218 298.4855 -57.3537 -27.7824 555842.6233 0.6905 0.7156 PRESSURE: 2333800 -223.146 -98.8958 70.6247 -98.8956 -279.845 -70.6819 70.6237 -70.6806 -453.926 GPRESSURE: 2333800 -174.854 -3.89101 46.2158 -164.124 -246.824 -168.341 1.53892 -13.1044 -435.536 PRESSAVG: 2333800 88.4196 -28.534 21.0934 -28.534 -33.7829 -17.5561 21.0935 -17.5562 -19.1163 GPRESSAVG: 2333800 88.8994 -29.5713 20.5821 -28.7805 -33.9204 -19.928 20.716 -16.8339 -19.0912 TIMING: 2333800 CPU: 7035.51, 0.00295422/step Wall: 7035.51, 0.00295422/step, 2.18793 hours remaining, 209.457031 MB of memory in use. ENERGY: 2333800 809.6793 2051.8216 1937.9665 107.7753 -206297.5336 17535.2318 0.0000 0.0000 34412.3436 -149442.7155 300.5316 -183855.0592 -149348.9944 299.1627 -318.9722 -285.7383 557159.4631 11.8401 11.9626 PRESSURE: 2334000 -134.714 131.498 -35.3773 131.497 -177.283 112.649 -35.3757 112.649 -136.254 GPRESSURE: 2334000 -107.58 174.849 1.159 75.2596 -111.002 158.333 -44.3005 99.0775 -121.174 PRESSAVG: 2334000 79.2215 25.9878 24.6686 25.9879 -18.7314 -20.4399 24.6686 -20.4399 -77.7684 GPRESSAVG: 2334000 79.1808 26.6971 24.3604 26.1585 -18.7576 -20.7412 26.1464 -20.3104 -77.5943 TIMING: 2334000 CPU: 7036.11, 0.00296462/step Wall: 7036.11, 0.00296462/step, 2.19546 hours remaining, 209.457031 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: 2334000 759.8927 2029.9158 1936.2715 110.0060 -205960.2585 17566.6516 0.0000 0.0000 34210.5354 -149346.9855 298.7691 -183557.5209 -149244.7184 299.7025 -149.4171 -113.2519 557137.1057 -5.7594 -5.7237 PRESSURE: 2334200 129.807 133.431 -26.1582 133.431 76.7576 64.3293 -26.1588 64.3301 -130.427 GPRESSURE: 2334200 115.614 110.845 -166.506 187.785 149.263 65.3348 33.9918 8.88325 -97.2278 PRESSAVG: 2334200 109.762 19.8558 -38.5988 19.8557 9.08219 11.1066 -38.5988 11.1066 -81.3897 GPRESSAVG: 2334200 108.11 20.2438 -41.1983 20.8967 10.5661 13.8931 -37.4523 9.70549 -80.9375 TIMING: 2334200 CPU: 7036.71, 0.00299874/step Wall: 7036.71, 0.00299874/step, 2.22056 hours remaining, 209.457031 MB of memory in use. ENERGY: 2334200 734.0121 2118.1031 1945.2896 104.2108 -206419.0096 17856.3449 0.0000 0.0000 34414.2122 -149246.8369 300.5479 -183661.0491 -149151.0601 299.6509 25.3794 55.8832 556059.8604 12.4849 12.5795 PRESSURE: 2334400 198.069 168.356 65.1993 168.357 -116.53 127.87 65.2007 127.869 108.991 GPRESSURE: 2334400 262.115 210.154 105.611 149.19 -101.455 162.821 69.2093 101.214 123.031 PRESSAVG: 2334400 25.4347 50.1787 -61.6114 50.1787 -24.5704 -27.5133 -61.6115 -27.5133 -43.8012 GPRESSAVG: 2334400 28.0363 50.1987 -56.2382 48.6107 -25.7493 -28.5502 -66.2078 -27.88 -44.7525 TIMING: 2334400 CPU: 7037.31, 0.00299845/step Wall: 7037.31, 0.00299845/step, 2.22019 hours remaining, 209.457031 MB of memory in use. ENERGY: 2334400 757.0367 2055.2201 1923.8113 126.9351 -206034.6288 17734.3505 0.0000 0.0000 34209.4395 -149227.8357 298.7595 -183437.2752 -149130.7468 299.0587 63.5103 94.5638 557627.8101 -14.3123 -14.1552 PRESSURE: 2334600 107.272 -207.006 16.2618 -207.007 -5.86041 193.639 16.2611 193.639 -84.9346 GPRESSURE: 2334600 154.66 -233.077 -28.9621 -106.581 38.3359 166.287 43.8362 147.111 -91.3922 PRESSAVG: 2334600 99.4693 48.4586 13.7169 48.4587 -34.7832 -6.04688 13.7169 -6.04683 -3.83227 GPRESSAVG: 2334600 98.4694 48.4494 11.7338 49.9686 -34.8805 -7.69182 15.0858 -4.35367 -3.27664 TIMING: 2334600 CPU: 7037.9, 0.00297607/step Wall: 7037.9, 0.00297607/step, 2.20345 hours remaining, 209.457031 MB of memory in use. ENERGY: 2334600 731.2432 2111.1594 1937.7966 120.2715 -206043.6080 17706.4058 0.0000 0.0000 34383.0641 -149053.6674 300.2759 -183436.7316 -148951.0381 299.4192 5.4923 33.8681 558113.8674 20.2846 20.1041 PRESSURE: 2334800 -248.883 -6.31635 20.3309 -6.3168 52.536 74.8152 20.331 74.8161 -127.498 GPRESSURE: 2334800 -263.68 0.419627 25.1029 -25.2828 98.8298 26.0478 46.737 69.1841 -67.5526 PRESSAVG: 2334800 -53.0509 -27.111 54.9566 -27.1111 10.6095 28.3267 54.9565 28.3267 17.1106 GPRESSAVG: 2334800 -52.7004 -25.6744 54.4381 -28.0076 9.68566 27.8726 57.4427 27.8178 17.5903 TIMING: 2334800 CPU: 7038.5, 0.00299231/step Wall: 7038.5, 0.00299231/step, 2.2153 hours remaining, 209.457031 MB of memory in use. ENERGY: 2334800 739.4227 2039.8267 1947.7821 118.0944 -205615.7547 17525.5439 0.0000 0.0000 34150.2264 -149094.8587 298.2424 -183245.0851 -148997.6414 299.2908 -107.9484 -77.4675 558219.7549 -8.4436 -8.4748 PRESSURE: 2335000 48.0813 18.5916 53.2625 18.5894 273.347 -164.551 53.2621 -164.552 -111.965 GPRESSURE: 2335000 132.014 -84.3062 67.1709 87.1039 297.274 -267.529 80.3234 -98.4037 -128.225 PRESSAVG: 2335000 -7.69415 26.9505 83.8228 26.9505 -9.17532 -42.0781 83.8228 -42.078 -11.7582 GPRESSAVG: 2335000 -9.0591 24.6519 84.0788 27.4856 -8.29262 -40.2782 83.6856 -41.1488 -11.331 TIMING: 2335000 CPU: 7039.1, 0.00300718/step Wall: 7039.1, 0.00300717/step, 2.22614 hours remaining, 209.457031 MB of memory in use. ENERGY: 2335000 717.8447 2108.7845 1932.3756 122.3950 -206263.7364 18063.1593 0.0000 0.0000 34288.5098 -149030.6675 299.4501 -183319.1773 -148937.8926 298.9701 69.8211 100.3542 557807.9703 -9.5425 -9.5609 PRESSURE: 2335200 -166.709 97.4901 51.1651 97.4907 -327.962 123.972 51.1651 123.971 -225.295 GPRESSURE: 2335200 -133.772 174.076 54.4008 13.6894 -309.648 89.0453 58.4943 58.04 -179.56 PRESSAVG: 2335200 -1.65984 2.49682 27.1392 2.4968 21.256 -12.1833 27.1391 -12.1833 -25.2072 GPRESSAVG: 2335200 -0.487819 2.35684 25.646 -0.0939694 20.4352 -12.4907 26.2464 -13.5778 -25.095 TIMING: 2335200 CPU: 7039.7, 0.00300065/step Wall: 7039.7, 0.00300065/step, 2.22115 hours remaining, 209.457031 MB of memory in use. ENERGY: 2335200 743.2468 2047.9765 1944.0129 116.9033 -205452.6570 17182.1437 0.0000 0.0000 34429.9161 -148988.4578 300.6850 -183418.3739 -148890.7956 299.7368 -239.9888 -207.6601 556259.8568 -1.8703 -1.7159 PRESSURE: 2335400 -31.2896 -22.6499 184.751 -22.6495 298.928 -14.7545 184.752 -14.7524 225.632 GPRESSURE: 2335400 34.3759 -33.1573 197.728 -3.04377 296.113 -9.27504 184.174 13.4305 268.186 PRESSAVG: 2335400 -68.3132 -12.2285 93.5894 -12.2286 28.5782 13.3174 93.5894 13.3175 15.1216 GPRESSAVG: 2335400 -69.4021 -10.7167 93.8312 -10.5261 28.7767 12.8571 93.8801 14.5702 15.7322 TIMING: 2335400 CPU: 7040.29, 0.00296536/step Wall: 7040.29, 0.00296536/step, 2.19486 hours remaining, 209.457031 MB of memory in use. ENERGY: 2335400 734.5504 2088.3956 1963.0043 112.7881 -206195.9466 17915.8174 0.0000 0.0000 34377.3751 -149004.0157 300.2262 -183381.3908 -148911.8849 300.4599 164.4235 199.5581 555686.0351 -8.2045 -8.2977 PRESSURE: 2335600 70.3435 42.6842 181.311 42.6838 75.1926 -109.383 181.31 -109.382 91.4037 GPRESSURE: 2335600 78.3326 -7.77338 179.508 132.261 96.8527 -86.5625 187.142 10.4758 170.888 PRESSAVG: 2335600 -35.6512 -0.208733 55.3699 -0.208709 -2.42203 -46.3046 55.3699 -46.3046 25.1191 GPRESSAVG: 2335600 -36.0891 -2.00579 55.0468 0.831333 -2.22048 -43.76 55.5601 -46.4607 25.2532 TIMING: 2335600 CPU: 7040.9, 0.00300893/step Wall: 7040.9, 0.00300893/step, 2.22694 hours remaining, 209.457031 MB of memory in use. ENERGY: 2335600 753.3692 2083.7532 1927.0983 118.6496 -206166.2984 18001.4141 0.0000 0.0000 34268.0530 -149013.9611 299.2714 -183282.0142 -148912.7664 300.2281 78.9799 115.3578 556367.2388 -4.3180 -4.3521 PRESSURE: 2335800 -26.1953 -61.7499 -96.3953 -61.7527 274.025 -96.9997 -96.3952 -96.9995 -194.866 GPRESSURE: 2335800 -13.1264 -57.8087 -79.5469 67.3509 264.82 -97.273 -95.5134 -113.675 -92.5993 PRESSAVG: 2335800 -8.06237 -10.3604 56.6976 -10.3605 -32.2305 13.0536 56.6975 13.0536 3.88805 GPRESSAVG: 2335800 -7.42478 -9.86768 56.1388 -10.7652 -31.0915 13.6194 55.6441 11.325 2.2953 TIMING: 2335800 CPU: 7041.5, 0.0030054/step Wall: 7041.5, 0.0030054/step, 2.22416 hours remaining, 209.457031 MB of memory in use. ENERGY: 2335800 740.4907 2119.8467 1924.3204 119.6848 -206161.6103 17778.8278 0.0000 0.0000 34375.5269 -149102.9129 300.2100 -183478.4397 -149001.5192 299.8550 17.6547 53.0313 557636.5245 -12.1349 -12.0737 PRESSURE: 2336000 -45.8589 -27.1403 132.539 -27.1404 72.6158 157.961 132.539 157.96 137.962 GPRESSURE: 2336000 21.146 109.569 100.717 -89.1407 65.0632 186.423 144.65 96.068 182.032 PRESSAVG: 2336000 -36.7661 -53.925 18.1973 -53.925 37.2798 0.926165 18.1973 0.926001 -6.77188 GPRESSAVG: 2336000 -36.1969 -52.0272 18.4885 -55.1119 35.8429 0.00123074 20.3162 1.63519 -5.76235 TIMING: 2336000 CPU: 7042.1, 0.00300989/step Wall: 7042.1, 0.00300989/step, 2.22732 hours remaining, 209.457031 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: 2336000 703.5224 2088.6426 1931.5693 112.3736 -206114.9496 17846.5792 0.0000 0.0000 34203.0463 -149229.2163 298.7037 -183432.2625 -149123.7142 299.1621 54.9063 89.4139 558332.5570 -2.0861 -2.0388 PRESSURE: 2336200 93.4942 -42.994 -96.4277 -42.9943 -70.8893 86.3229 -96.4264 86.3228 -6.09113 GPRESSURE: 2336200 126.201 -9.47906 -164.614 44.7398 -23.7595 56.2586 -31.9438 151.315 2.84416 PRESSAVG: 2336200 -17.2626 -56.2329 -37.3045 -56.2329 52.081 57.3184 -37.3046 57.3183 -28.4647 GPRESSAVG: 2336200 -17.0439 -56.4199 -37.3408 -55.0934 52.8896 55.0349 -37.2878 57.478 -29.1862 TIMING: 2336200 CPU: 7042.71, 0.0030455/step Wall: 7042.71, 0.0030455/step, 2.2535 hours remaining, 209.457031 MB of memory in use. ENERGY: 2336200 735.6083 2092.5371 1960.1086 111.1700 -206150.6469 17745.9218 0.0000 0.0000 34386.9094 -149118.3917 300.3094 -183505.3011 -149017.8436 299.0629 5.5046 35.0953 556819.6679 2.1179 2.2198 LDB: ============= START OF LOAD BALANCING ============== 7046.23 LDB: ============== END OF LOAD BALANCING =============== 7046.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7046.23 LDB: ============= START OF LOAD BALANCING ============== 7046.53 LDB: Largest compute 4800 load 0.029703 is 25.2% of average load 0.117965 LDB: Average compute 0.001725 is 1.5% of average load 0.117965 LDB: TIME 7046.54 LOAD: AVG 0.117965 MAX 0.2082 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.555 MB LDB: TIME 7046.54 LOAD: AVG 0.117965 MAX 0.2082 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.555 MB LDB: TIME 7046.54 LOAD: AVG 0.117965 MAX 0.2082 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.555 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7046.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7046.54 PRESSURE: 2336400 -72.6254 60.4207 159.136 60.4209 -12.1403 56.3833 159.137 56.384 313.409 GPRESSURE: 2336400 40.8423 59.0665 211.867 107.557 -17.5086 99.03 99.2474 88.2154 304.629 PRESSAVG: 2336400 -85.3291 -28.6996 24.8659 -28.6997 73.386 -5.98874 24.8659 -5.98872 11.1011 GPRESSAVG: 2336400 -84.6697 -30.2479 25.1008 -29.3636 72.8599 -4.81616 22.2081 -5.59439 10.7771 TIMING: 2336400 CPU: 7043.33, 0.00308857/step Wall: 7043.33, 0.00308857/step, 2.2852 hours remaining, 208.796875 MB of memory in use. ENERGY: 2336400 765.4663 2097.1370 1917.7358 112.8136 -206317.4357 17793.4079 0.0000 0.0000 34483.4114 -149147.4637 301.1522 -183630.8751 -149053.4525 300.2515 76.2143 109.3209 555118.4110 -0.2807 -0.3442 PRESSURE: 2336600 6.49958 -8.99684 -24.1296 -8.99689 -38.8747 -58.9117 -24.1299 -58.9109 -18.9641 GPRESSURE: 2336600 74.232 -31.9935 0.584559 34.1529 -53.1578 -66.7073 27.54 -81.0852 35.3613 PRESSAVG: 2336600 -44.2547 -21.1279 4.3352 -21.128 72.6529 24.2529 4.3352 24.253 -2.7651 GPRESSAVG: 2336600 -45.0811 -20.5397 3.46242 -19.9561 71.4427 24.836 5.44879 20.8765 -0.619965 TIMING: 2336600 CPU: 7043.92, 0.00298571/step Wall: 7043.92, 0.00298571/step, 2.20893 hours remaining, 209.054688 MB of memory in use. ENERGY: 2336600 748.5673 2090.3262 1919.9184 108.8228 -206007.8640 17674.2249 0.0000 0.0000 34376.3636 -149089.6408 300.2173 -183466.0044 -148988.7384 300.8492 -17.1131 18.8118 556386.1955 8.5444 8.5806 PRESSURE: 2336800 -337.968 135.701 -42.4759 135.7 -199.659 -115.321 -42.4765 -115.319 -311.05 GPRESSURE: 2336800 -233.592 159.976 -115.235 81.0524 -257.044 -58.7966 -33.6959 -116.582 -257.786 PRESSAVG: 2336800 31.5934 -13.9912 -21.7156 -13.9912 -26.6145 21.4304 -21.7156 21.4304 -32.7728 GPRESSAVG: 2336800 32.2438 -12.5977 -20.2903 -15.4718 -25.1555 20.7104 -21.5248 25.0476 -34.8436 TIMING: 2336800 CPU: 7044.52, 0.00296425/step Wall: 7044.52, 0.00296425/step, 2.19289 hours remaining, 209.054688 MB of memory in use. ENERGY: 2336800 741.9381 2162.8551 1941.6374 96.3462 -205734.4703 17373.7145 0.0000 0.0000 34215.3049 -149202.6742 298.8108 -183417.9791 -149110.8857 299.8713 -282.8922 -249.4742 557102.2516 -9.2646 -9.2518 PRESSURE: 2337000 239.453 120.479 60.4958 120.479 111.496 -100.446 60.4955 -100.445 252.893 GPRESSURE: 2337000 273.291 109.837 55.647 143.165 127.313 -89.4289 129.748 -89.9998 299.029 PRESSAVG: 2337000 -36.4373 71.2699 -33.3813 71.2698 -18.3625 76.9908 -33.3812 76.9909 54.6602 GPRESSAVG: 2337000 -37.4015 68.1971 -33.5799 73.3262 -18.692 76.0367 -33.9859 76.5062 55.9638 TIMING: 2337000 CPU: 7045.11, 0.00298883/step Wall: 7045.11, 0.00298883/step, 2.21091 hours remaining, 209.054688 MB of memory in use. ENERGY: 2337000 727.7402 2121.2090 1949.6286 114.5839 -206582.0843 18113.9434 0.0000 0.0000 34449.5079 -149105.4713 300.8561 -183554.9792 -149004.6053 299.8409 201.2805 233.2113 555774.9885 -0.0465 -0.0432 PRESSURE: 2337200 278.918 -105.788 -65.9095 -105.789 -163.097 12.011 -65.9087 12.0125 252.006 GPRESSURE: 2337200 271.704 -168.563 -114.088 -47.6022 -90.8141 -68.829 -73.9203 12.7474 288.103 PRESSAVG: 2337200 86.8139 7.88666 -7.25274 7.88665 -81.3122 112.168 -7.25272 112.169 0.0820685 GPRESSAVG: 2337200 88.221 8.07638 -9.07848 6.76318 -82.2617 112.085 -7.02548 112.621 -0.952393 TIMING: 2337200 CPU: 7045.71, 0.00299059/step Wall: 7045.71, 0.00299059/step, 2.21204 hours remaining, 209.054688 MB of memory in use. ENERGY: 2337200 736.4741 2111.0449 1952.8216 113.3490 -206466.8832 18063.0803 0.0000 0.0000 34266.7387 -149223.3746 299.2600 -183490.1133 -149120.3355 299.2611 122.6090 156.3309 556488.3121 1.8613 1.6690 PRESSURE: 2337400 -138.746 149.831 64.3741 149.831 -170.795 88.4496 64.3743 88.4489 -283.942 GPRESSURE: 2337400 -123.523 50.5431 79.1864 197.672 -141.245 137.665 14.1634 139.57 -221.04 PRESSAVG: 2337400 -23.6928 33.8715 -5.40942 33.8715 -10.6459 25.5521 -5.40953 25.5521 22.0641 GPRESSAVG: 2337400 -25.1512 36.557 -2.69478 33.5812 -8.41281 25.9245 -7.05288 24.7737 21.7808 TIMING: 2337400 CPU: 7046.31, 0.00298395/step Wall: 7046.31, 0.00298395/step, 2.20696 hours remaining, 209.054688 MB of memory in use. ENERGY: 2337400 760.8882 2102.1449 1919.7408 106.2109 -206093.0776 17590.8810 0.0000 0.0000 34387.2563 -149225.9556 300.3125 -183613.2119 -149124.6048 299.8854 -197.8277 -161.9358 557043.9382 -4.0915 -3.9278 PRESSURE: 2337600 -36.2357 -11.4295 -62.3544 -11.4273 -205.848 130.37 -62.3537 130.368 -150.645 GPRESSURE: 2337600 -3.28425 -69.0196 -61.0769 10.0887 -162.341 106.288 -39.2631 144.393 -128.858 PRESSAVG: 2337600 57.2524 -4.29322 49.4176 -4.29325 25.2235 10.42 49.4175 10.4202 -31.7201 GPRESSAVG: 2337600 57.1021 -6.5725 46.8616 -4.33132 23.6816 9.75889 49.8447 10.6875 -30.6986 TIMING: 2337600 CPU: 7046.91, 0.00298229/step Wall: 7046.91, 0.00298229/step, 2.20557 hours remaining, 209.054688 MB of memory in use. ENERGY: 2337600 777.5909 2082.8721 1936.7256 123.8335 -205900.6914 17660.2976 0.0000 0.0000 34107.7142 -149211.6574 297.8712 -183319.3716 -149113.3671 299.5463 -130.9097 -98.1612 557461.9996 16.9186 16.6950 PRESSURE: 2337800 -11.7745 99.5843 -77.0982 99.5848 -47.932 186.928 -77.0981 186.93 -250.445 GPRESSURE: 2337800 -0.298776 92.5006 -75.9154 58.5788 17.2687 235.972 -18.557 149.345 -229.779 PRESSAVG: 2337800 -46.2035 39.4959 10.919 39.4959 39.0568 13.4207 10.919 13.4208 -8.65335 GPRESSAVG: 2337800 -46.1635 40.2138 12.8608 37.8162 39.7053 14.3252 12.4091 11.9573 -9.78847 TIMING: 2337800 CPU: 7047.51, 0.00300208/step Wall: 7047.51, 0.00300208/step, 2.22004 hours remaining, 209.054688 MB of memory in use. ENERGY: 2337800 722.5184 2096.4581 1921.5758 124.3411 -205800.8022 17533.5866 0.0000 0.0000 34196.9350 -149205.3871 298.6503 -183402.3222 -149114.2381 299.5642 -103.3839 -70.9365 558053.5788 -5.2667 -5.4155 PRESSURE: 2338000 275.591 162.835 11.6858 162.835 87.7031 184.134 11.6874 184.135 314.48 GPRESSURE: 2338000 261.854 134.893 -41.1453 106.891 91.0092 196.32 68.7521 187.641 428.905 PRESSAVG: 2338000 -9.62193 27.5197 -65.5345 27.5197 -39.8416 84.8624 -65.5346 84.8625 65.4113 GPRESSAVG: 2338000 -8.913 28.3749 -67.897 30.239 -41.031 84.544 -65.7194 86.5164 66.4361 TIMING: 2338000 CPU: 7048.11, 0.00302758/step Wall: 7048.11, 0.00302758/step, 2.23873 hours remaining, 209.054688 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: 2338000 693.8236 2103.4391 1909.1906 112.8029 -206447.1367 18035.0277 0.0000 0.0000 34331.7206 -149261.1322 299.8275 -183592.8528 -149164.5453 299.8968 225.9249 260.5894 556722.6809 5.3159 5.4974 PRESSURE: 2338200 -198.314 32.076 -52.4084 32.0761 -337.42 -105.108 -52.4097 -105.106 -10.5542 GPRESSURE: 2338200 -198.247 24.7909 -15.2355 45.1355 -298.01 -23.7598 -60.1552 -100.275 52.3857 PRESSAVG: 2338200 -58.9523 45.8845 -27.7246 45.8845 -55.9981 -70.7739 -27.7246 -70.7741 114.047 GPRESSAVG: 2338200 -60.3818 47.5876 -27.8149 43.5539 -54.1057 -70.331 -28.1324 -70.7421 113.166 TIMING: 2338200 CPU: 7048.71, 0.00300859/step Wall: 7048.71, 0.00300859/step, 2.22452 hours remaining, 209.054688 MB of memory in use. ENERGY: 2338200 769.5723 2079.6308 1927.6029 115.7048 -205947.5744 17525.1188 0.0000 0.0000 34413.6876 -149116.2574 300.5433 -183529.9449 -149020.7557 300.1502 -182.0961 -147.9572 557927.3946 -0.3013 -0.4405 PRESSURE: 2338400 -176.958 80.2885 -12.8747 80.29 -423.936 37.4979 -12.8739 37.4979 -98.9135 GPRESSURE: 2338400 -78.7031 69.264 15.9481 19.2404 -406.384 63.1304 -13.6114 -7.61617 -121.519 PRESSAVG: 2338400 -51.8648 28.4975 -1.08749 28.4973 -59.1809 -1.82879 -1.08741 -1.82879 69.864 GPRESSAVG: 2338400 -51.6085 28.3238 1.89711 28.0735 -60.119 -3.25728 -2.83679 1.04172 70.2186 TIMING: 2338400 CPU: 7049.32, 0.00302759/step Wall: 7049.32, 0.00302759/step, 2.2384 hours remaining, 209.054688 MB of memory in use. ENERGY: 2338400 773.1582 2151.2102 1951.1636 113.5736 -206031.0222 17610.2093 0.0000 0.0000 34261.8115 -149169.8958 299.2169 -183431.7074 -149072.3962 299.8514 -233.2691 -202.2022 558080.8809 -13.7272 -13.8363 PRESSURE: 2338600 -161.463 -141.897 107.536 -141.897 -173.773 47.0819 107.536 47.0831 -260.204 GPRESSURE: 2338600 -173.045 -99.7505 149.902 -215.681 -129.657 26.8969 49.3784 69.361 -206.122 PRESSAVG: 2338600 -43.455 -4.45376 26.523 -4.45377 -8.73107 43.5771 26.523 43.5771 10.2327 GPRESSAVG: 2338600 -43.9641 -5.68579 26.9793 -2.54328 -9.20773 45.5328 27.2776 38.8586 11.8624 TIMING: 2338600 CPU: 7049.92, 0.00301856/step Wall: 7049.92, 0.00301856/step, 2.23156 hours remaining, 209.054688 MB of memory in use. ENERGY: 2338600 731.6691 2114.2140 1938.6820 113.2314 -206095.1843 17646.3357 0.0000 0.0000 34318.3022 -149232.7500 299.7103 -183551.0521 -149135.9763 299.5959 -198.4800 -169.6079 558977.1929 -13.9844 -13.7698 PRESSURE: 2338800 -167.024 76.4504 -108.068 76.4494 23.3657 -21.4524 -108.067 -21.4524 -2.46719 GPRESSURE: 2338800 -102.389 5.45472 -53.8089 62.0514 94.0651 -12.9367 -98.8965 6.27939 -35.6965 PRESSAVG: 2338800 31.3871 -11.0076 0.243004 -11.0075 54.4173 -17.3584 0.242994 -17.3585 -22.7996 GPRESSAVG: 2338800 34.0162 -10.9716 0.632116 -11.4896 54.779 -18.6099 1.29723 -15.1314 -25.5644 TIMING: 2338800 CPU: 7050.52, 0.00301449/step Wall: 7050.52, 0.00301449/step, 2.22838 hours remaining, 209.054688 MB of memory in use. ENERGY: 2338800 780.2855 2077.4239 1912.4833 98.5761 -206094.3090 17788.7114 0.0000 0.0000 34327.1937 -149109.6351 299.7879 -183436.8288 -149020.8051 298.9505 -48.7084 -14.6735 556789.1037 21.0016 21.0769 PRESSURE: 2339000 -183.766 -62.8314 22.5055 -62.8297 -100.966 38.7081 22.5037 38.7089 235.746 GPRESSURE: 2339000 -136.12 -61.2353 -21.6317 5.56222 -102.474 -30.6793 10.7696 40.0878 279.295 PRESSAVG: 2339000 32.9388 8.79038 19.167 8.79028 -8.24336 26.9556 19.167 26.9556 -36.4274 GPRESSAVG: 2339000 32.1991 7.39525 16.3741 9.59768 -8.61035 27.3892 17.9505 26.0462 -34.3056 TIMING: 2339000 CPU: 7051.12, 0.00298728/step Wall: 7051.12, 0.00298728/step, 2.2081 hours remaining, 209.054688 MB of memory in use. ENERGY: 2339000 748.1899 2116.0842 1955.6763 106.3141 -206077.4869 17778.1682 0.0000 0.0000 34195.5463 -149177.5079 298.6382 -183373.0543 -149083.2733 299.3572 -16.3286 13.5670 558006.5371 -3.9107 -3.5723 PRESSURE: 2339200 80.1752 60.2226 98.272 60.2224 292.456 -57.8132 98.2713 -57.8124 -165.374 GPRESSURE: 2339200 160.301 59.6123 28.7182 86.6213 299.009 6.6791 88.3178 -97.4497 -142.676 PRESSAVG: 2339200 18.54 29.0796 -15.4701 29.0796 31.1545 6.85325 -15.4701 6.85337 -52.344 GPRESSAVG: 2339200 17.9593 30.6354 -15.0458 27.2222 32.4184 6.90254 -15.7814 5.91051 -52.5597 TIMING: 2339200 CPU: 7051.72, 0.00300044/step Wall: 7051.72, 0.00300044/step, 2.21766 hours remaining, 209.054688 MB of memory in use. ENERGY: 2339200 760.3480 2118.6693 1961.9539 117.0304 -206455.7065 18069.1885 0.0000 0.0000 34220.0267 -149208.4897 298.8520 -183428.5163 -149113.3401 299.4908 69.0858 105.5448 557402.4671 -0.8831 -0.7273 PRESSURE: 2339400 52.6045 -50.8539 -8.5684 -50.8542 -101.851 183.477 -8.56766 183.476 15.5839 GPRESSURE: 2339400 150.449 -107.452 -40.639 -16.2988 -132.375 263.703 87.5514 121.35 49.4529 PRESSAVG: 2339400 48.825 35.1407 59.445 35.1406 -32.6099 22.9647 59.4449 22.9647 36.9171 GPRESSAVG: 2339400 47.9555 34.5617 60.3792 34.5672 -32.1441 24.5018 60.5182 23.3541 37.1411 TIMING: 2339400 CPU: 7052.32, 0.00300205/step Wall: 7052.32, 0.00300205/step, 2.21868 hours remaining, 209.054688 MB of memory in use. ENERGY: 2339400 763.3340 2058.1297 1945.9002 121.5278 -206138.0340 17903.8522 0.0000 0.0000 34223.2163 -149122.0738 298.8799 -183345.2901 -149030.4510 299.6542 -11.2210 22.5087 557592.8182 17.7107 17.6508 PRESSURE: 2339600 -53.114 4.29912 -51.5608 4.30042 17.5195 7.34453 -51.5623 7.34564 17.1549 GPRESSURE: 2339600 -44.5055 -32.5197 -27.1269 30.6418 60.8862 -6.93179 -41.7027 22.1169 59.4452 PRESSAVG: 2339600 61.4295 3.36802 38.3341 3.36804 -68.9292 62.1845 38.3342 62.1845 31.911 GPRESSAVG: 2339600 62.4872 3.32941 40.5027 3.67527 -69.713 59.6317 37.1664 63.7792 32.1061 TIMING: 2339600 CPU: 7052.93, 0.00302374/step Wall: 7052.93, 0.00302374/step, 2.23455 hours remaining, 209.054688 MB of memory in use. ENERGY: 2339600 727.1250 2153.3729 1943.3593 120.0831 -206473.4348 17914.1573 0.0000 0.0000 34354.0530 -149261.2842 300.0225 -183615.3372 -149155.2811 299.8142 -6.1465 25.2753 557767.1619 8.1371 8.2934 PRESSURE: 2339800 116.056 -55.22 10.0358 -55.219 72.1341 8.19804 10.0367 8.19726 159.735 GPRESSURE: 2339800 156.814 -24.3695 77.0854 -68.8608 137.949 -41.7001 38.5155 -36.9317 151.041 PRESSAVG: 2339800 17.9648 -38.2173 51.4628 -38.2174 -4.69805 12.463 51.4627 12.4631 -19.9609 GPRESSAVG: 2339800 18.7735 -38.754 49.2485 -38.0837 -5.41252 13.8983 52.2797 11.1334 -19.8074 TIMING: 2339800 CPU: 7053.53, 0.00299486/step Wall: 7053.53, 0.00299486/step, 2.21303 hours remaining, 209.054688 MB of memory in use. ENERGY: 2339800 701.9903 2096.6828 1924.2234 124.6354 -206277.1181 17918.5002 0.0000 0.0000 34168.4529 -149342.6330 298.4016 -183511.0859 -149248.0100 299.0897 115.9751 148.6012 558061.8425 -2.2314 -2.1488 PRESSURE: 2340000 -209.556 74.8626 -37.1019 74.8608 43.3899 -73.6707 -37.1036 -73.6696 -69.557 GPRESSURE: 2340000 -150.21 68.9997 -49.7967 -73.3323 49.9543 -32.2564 11.3542 -103.255 -39.3171 PRESSAVG: 2340000 -11.6338 -23.9362 27.2191 -23.9362 -5.23992 -65.0153 27.2189 -65.0153 17.0306 GPRESSAVG: 2340000 -10.2754 -24.1178 28.0723 -22.499 -3.13644 -66.5952 27.4319 -62.8765 14.0144 TIMING: 2340000 CPU: 7054.13, 0.00299726/step Wall: 7054.13, 0.00299726/step, 2.21464 hours remaining, 209.054688 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: 2340000 737.3335 2131.0156 1926.9864 114.1530 -206413.5880 17826.3056 0.0000 0.0000 34428.5196 -149249.2744 300.6728 -183677.7940 -149149.8911 299.6109 -78.5743 -46.5244 557908.3676 0.0523 0.2009 PRESSURE: 2340200 -78.9619 61.2596 186.106 61.2596 194.11 54.4562 186.107 54.4563 39.19 GPRESSURE: 2340200 -65.9848 -0.321092 143.727 104.536 246.613 12.2326 182.638 79.9361 79.9109 PRESSAVG: 2340200 -9.55304 7.03219 75.8526 7.03226 3.12236 33.0269 75.8527 33.0269 -14.0945 GPRESSAVG: 2340200 -11.6745 9.01732 74.4326 6.19525 1.30557 32.5135 76.2465 34.0477 -10.8153 TIMING: 2340200 CPU: 7054.73, 0.00301084/step Wall: 7054.73, 0.00301084/step, 2.22451 hours remaining, 209.125000 MB of memory in use. ENERGY: 2340200 748.6267 2100.8656 1944.8576 120.0354 -206267.1073 17875.5238 0.0000 0.0000 34290.9819 -149186.2163 299.4717 -183477.1982 -149095.4719 299.5503 51.4459 86.8463 558325.4120 -6.8417 -7.0614 LDB: ============= START OF LOAD BALANCING ============== 7058.25 LDB: ============== END OF LOAD BALANCING =============== 7058.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7058.25 LDB: ============= START OF LOAD BALANCING ============== 7058.56 LDB: Largest compute 4800 load 0.030203 is 25.6% of average load 0.118070 LDB: Average compute 0.001733 is 1.5% of average load 0.118070 LDB: TIME 7058.56 LOAD: AVG 0.11807 MAX 0.209744 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.281 MB LDB: TIME 7058.56 LOAD: AVG 0.11807 MAX 0.209744 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.484 MB LDB: TIME 7058.56 LOAD: AVG 0.11807 MAX 0.209744 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.484 MB LDB: ============== END OF LOAD BALANCING =============== 7058.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7058.56 PRESSURE: 2340400 24.2534 -81.9935 132.452 -81.9955 43.0455 -85.0039 132.452 -85.0029 67.3881 GPRESSURE: 2340400 46.7572 -43.4907 149.797 -28.937 79.2126 -61.7215 206.12 -109.509 104.48 PRESSAVG: 2340400 -34.5014 -31.7031 9.52793 -31.7032 51.1123 41.1364 9.52781 41.1365 23.5048 GPRESSAVG: 2340400 -33.3357 -30.8737 10.2001 -32.4853 50.8619 40.8826 8.49509 40.2767 22.3134 TIMING: 2340400 CPU: 7055.35, 0.00310012/step Wall: 7055.35, 0.00310012/step, 2.2903 hours remaining, 208.707031 MB of memory in use. ENERGY: 2340400 777.0918 2113.9509 1919.3524 113.2520 -206177.5400 17876.4805 0.0000 0.0000 34260.8812 -149116.5313 299.2088 -183377.4125 -149021.5563 299.1848 44.8957 76.8165 556972.6203 13.3719 13.2798 PRESSURE: 2340600 75.7572 -32.3508 111.024 -32.3515 -128.461 90.5859 111.025 90.5866 -0.0109393 GPRESSURE: 2340600 124.37 -94.6397 141.636 45.1995 -40.0016 57.2438 81.5306 122.504 -47.3252 PRESSAVG: 2340600 9.64197 3.10148 7.3681 3.10144 22.4528 -52.4753 7.36804 -52.4754 -70.5602 GPRESSAVG: 2340600 9.18734 0.378915 6.27817 3.90608 23.5507 -52.7928 9.09784 -50.2184 -71.2346 TIMING: 2340600 CPU: 7055.95, 0.00301846/step Wall: 7055.95, 0.00301846/step, 2.2298 hours remaining, 208.707031 MB of memory in use. ENERGY: 2340600 734.1548 2121.1225 1924.6412 115.1940 -206290.5784 17903.7679 0.0000 0.0000 34359.5837 -149132.1144 300.0708 -183491.6981 -149031.1766 299.5313 -17.5717 12.3476 556956.6123 -12.8218 -12.8322 PRESSURE: 2340800 -138.984 -69.2702 -134.609 -69.2701 -21.411 77.1844 -134.608 77.1837 -243.978 GPRESSURE: 2340800 -94.221 -56.4738 -107.964 -76.7879 -29.2757 69.8766 -136.993 174.526 -182.433 PRESSAVG: 2340800 52.9892 -13.1144 3.7753 -13.1143 -72.999 17.146 3.77532 17.1461 15.742 GPRESSAVG: 2340800 52.4135 -10.7211 4.20808 -13.9582 -73.1531 19.7159 2.4387 14.295 16.8818 TIMING: 2340800 CPU: 7056.56, 0.00301936/step Wall: 7056.56, 0.00301936/step, 2.2303 hours remaining, 208.707031 MB of memory in use. ENERGY: 2340800 743.2918 2174.5510 1931.3885 119.1305 -206197.4817 17781.0102 0.0000 0.0000 34266.8433 -149181.2663 299.2609 -183448.1097 -149080.5371 299.7650 -134.7911 -101.9764 557137.5451 -1.4226 -1.2860 PRESSURE: 2341000 -233.655 -51.3426 -95.629 -51.3427 -161.036 -12.6873 -95.6297 -12.6878 -194.586 GPRESSURE: 2341000 -190.054 -52.03 -124.32 -109.751 -110.698 36.7558 -120.986 -55.9966 -194.704 PRESSAVG: 2341000 -9.22019 -13.7377 -26.6095 -13.7378 -18.1385 -28.0625 -26.6095 -28.0625 21.9695 GPRESSAVG: 2341000 -9.71794 -13.0608 -26.8719 -14.8769 -17.2837 -26.4887 -27.1428 -30.8564 21.6379 TIMING: 2341000 CPU: 7057.16, 0.0030015/step Wall: 7057.16, 0.0030015/step, 2.21694 hours remaining, 208.707031 MB of memory in use. ENERGY: 2341000 754.5445 2173.8391 1950.1542 101.0091 -205795.4142 17483.5733 0.0000 0.0000 34277.2149 -149055.0790 299.3514 -183332.2939 -148956.7473 299.9538 -196.4255 -165.1522 558716.1302 -1.7964 -1.7879 PRESSURE: 2341200 -185.52 -16.7085 57.5192 -16.7084 46.3636 -182.498 57.5194 -182.497 -458.386 GPRESSURE: 2341200 -152.757 -73.9774 54.3922 10.7396 80.4939 -185.974 67.1089 -131.357 -433.021 PRESSAVG: 2341200 97.49 56.5198 -0.883328 56.5197 -27.2996 27.9717 -0.883479 27.9717 -78.3319 GPRESSAVG: 2341200 98.6594 54.182 1.57126 57.8993 -28.0641 27.1615 -0.278786 29.8077 -78.4733 TIMING: 2341200 CPU: 7057.76, 0.00300742/step Wall: 7057.76, 0.00300742/step, 2.22115 hours remaining, 208.968750 MB of memory in use. ENERGY: 2341200 733.7858 2154.6661 1943.6345 124.7680 -205740.4886 17363.0069 0.0000 0.0000 34370.3404 -149050.2869 300.1647 -183420.6273 -148945.8356 299.6845 -199.1809 -168.4278 557507.2937 -2.7139 -2.6260 PRESSURE: 2341400 51.1439 177.87 -60.2736 177.87 136.234 -235.401 -60.2731 -235.4 88.7774 GPRESSURE: 2341400 55.756 82.6753 77.7018 279.375 159.482 -281.084 -52.7743 -143.445 156.147 PRESSAVG: 2341400 32.6788 38.9349 21.6099 38.9349 6.10387 -42.2718 21.6098 -42.2719 -42.4 GPRESSAVG: 2341400 31.9217 38.8022 19.2875 39.8162 5.41895 -43.2933 23.3068 -41.5096 -41.1458 TIMING: 2341400 CPU: 7058.36, 0.00301352/step Wall: 7058.36, 0.00301352/step, 2.22549 hours remaining, 208.968750 MB of memory in use. ENERGY: 2341400 808.8293 2117.6866 1933.1102 126.3205 -206344.0489 17950.9046 0.0000 0.0000 34341.9013 -149065.2967 299.9164 -183407.1979 -148970.7831 299.5755 92.0518 123.7950 557686.3520 -1.2058 -1.2684 PRESSURE: 2341600 59.9292 -105.622 -46.6587 -105.623 -102.989 -63.9874 -46.6585 -63.9885 -106.003 GPRESSURE: 2341600 82.333 -32.1211 -58.0593 -92.4886 -41.154 -17.0255 -93.0704 -14.6465 -89.1616 PRESSAVG: 2341600 44.1203 -21.3735 14.8891 -21.3735 15.5883 -81.6358 14.889 -81.6358 -111.746 GPRESSAVG: 2341600 45.7877 -21.9623 14.531 -21.7847 15.4587 -81.4411 13.5926 -82.8444 -112.7 TIMING: 2341600 CPU: 7058.96, 0.00301022/step Wall: 7058.96, 0.00301022/step, 2.22288 hours remaining, 208.968750 MB of memory in use. ENERGY: 2341600 734.2587 2159.0887 1900.7477 103.4912 -206108.1705 17694.9064 0.0000 0.0000 34363.3115 -149152.3663 300.1033 -183515.6778 -149046.5842 299.9588 -49.6878 -15.9942 557640.7425 -17.3459 -17.1511 PRESSURE: 2341800 -179.427 188.718 5.83827 188.717 4.45751 43.6065 5.83864 43.6065 -252.266 GPRESSURE: 2341800 -136.694 200.649 -11.4639 137.409 -60.0655 86.7124 -6.07431 33.7007 -147.242 PRESSAVG: 2341800 11.9535 -7.49778 -28.3494 -7.49782 31.261 -45.7104 -28.3495 -45.7106 -53.5368 GPRESSAVG: 2341800 11.6921 -7.26048 -29.068 -8.43509 32.1495 -43.4448 -27.1818 -45.1195 -53.9084 TIMING: 2341800 CPU: 7059.56, 0.00300254/step Wall: 7059.56, 0.00300254/step, 2.21704 hours remaining, 208.968750 MB of memory in use. ENERGY: 2341800 745.2052 2085.4191 1912.2259 117.0265 -205910.7054 17764.7237 0.0000 0.0000 34096.3321 -149189.7729 297.7717 -183286.1051 -149090.0505 300.0909 -142.4116 -114.6673 560799.9208 -3.4408 -3.3556 PRESSURE: 2342000 -141.038 -234.844 -70.3348 -234.844 83.2886 -9.95823 -70.3361 -9.95828 51.0943 GPRESSURE: 2342000 -89.4006 -183.796 -44.8931 -246.101 117.175 -58.489 -121.62 8.79539 60.4943 PRESSAVG: 2342000 6.11874 26.3966 -21.9452 26.3966 32.1729 -18.692 -21.9452 -18.6919 -55.9532 GPRESSAVG: 2342000 6.23403 27.1899 -21.2242 28.3112 31.2301 -21.6378 -22.0933 -17.8407 -55.6408 TIMING: 2342000 CPU: 7060.17, 0.00302781/step Wall: 7060.17, 0.00302781/step, 2.23553 hours remaining, 208.968750 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: 2342000 738.1453 2125.7877 1928.2425 112.7857 -206510.5721 17896.6710 0.0000 0.0000 34582.7575 -149126.1824 302.0198 -183708.9399 -149030.4649 300.0012 -2.2185 29.4229 559448.4093 -5.8872 -6.0589 PRESSURE: 2342200 -167.408 -177.242 -47.7568 -177.243 150.98 -56.7173 -47.7562 -56.7167 -62.8278 GPRESSURE: 2342200 -60.7462 -140.256 -49.6321 -204.72 110.983 -131.946 -35.8016 -47.5513 -25.3665 PRESSAVG: 2342200 6.3211 -50.0078 5.144 -50.0079 -5.11149 21.1524 5.14393 21.1524 -26.2497 GPRESSAVG: 2342200 6.28208 -50.8906 3.27235 -50.539 -4.76334 21.5222 6.13898 19.78 -26.5834 TIMING: 2342200 CPU: 7060.77, 0.00299264/step Wall: 7060.77, 0.00299264/step, 2.2094 hours remaining, 208.968750 MB of memory in use. ENERGY: 2342200 764.7486 2108.1235 1914.9832 109.1168 -206148.8486 17898.2685 0.0000 0.0000 34066.8665 -149286.7414 297.5144 -183353.6079 -149189.3372 299.0673 -26.4188 8.2902 558535.0276 -8.3467 -8.3549 PRESSURE: 2342400 -310.678 4.56504 -26.2837 4.56402 -60.5702 -79.7726 -26.2837 -79.7729 -36.2866 GPRESSURE: 2342400 -220.917 31.2993 71.6369 3.65278 -32.8484 -46.9833 -72.3365 -36.6393 -43.8206 PRESSAVG: 2342400 -14.9992 -11.6762 -44.8504 -11.6762 26.3174 -5.35285 -44.8503 -5.35295 18.0665 GPRESSAVG: 2342400 -14.7439 -12.1156 -42.5401 -11.1219 25.9391 -5.38896 -46.16 -5.85111 18.4881 TIMING: 2342400 CPU: 7061.37, 0.00299891/step Wall: 7061.37, 0.00299891/step, 2.21386 hours remaining, 208.968750 MB of memory in use. ENERGY: 2342400 742.8628 2089.3228 1930.3929 107.8979 -206298.6448 17671.6687 0.0000 0.0000 34546.1325 -149210.3671 301.7000 -183756.4996 -149109.5323 298.8966 -135.8449 -99.1953 558375.0569 9.7949 9.8944 PRESSURE: 2342600 -63.8744 -205.424 -163.464 -205.425 -18.0836 75.6386 -163.465 75.6372 -78.4326 GPRESSURE: 2342600 -33.8913 -212.781 -167.654 -231.31 -6.17079 79.0213 -97.4962 100.175 -33.1638 PRESSAVG: 2342600 -19.9769 -27.8269 -16.62 -27.827 15.5645 -7.13899 -16.62 -7.13896 -8.29858 GPRESSAVG: 2342600 -19.8599 -27.2596 -17.5782 -27.4637 15.7619 -6.45088 -15.9633 -8.82146 -8.30547 TIMING: 2342600 CPU: 7061.96, 0.00298505/step Wall: 7061.96, 0.00298505/step, 2.20346 hours remaining, 208.968750 MB of memory in use. ENERGY: 2342600 703.7974 2153.0093 1936.9738 114.0860 -206146.6533 17816.2153 0.0000 0.0000 34330.8758 -149091.6958 299.8201 -183422.5716 -148992.6023 300.2156 -53.4635 -24.4086 559257.8682 -4.2370 -4.1345 PRESSURE: 2342800 -42.9792 7.76614 -85.9302 7.76517 -161.378 147.389 -85.9299 147.39 -227.089 GPRESSURE: 2342800 -14.096 -25.2608 -68.5591 21.3886 -126.347 138.303 -141.979 128.721 -186.064 PRESSAVG: 2342800 17.8368 -41.4418 -1.60376 -41.4418 33.0655 11.3285 -1.60372 11.3285 -54.0672 GPRESSAVG: 2342800 17.1196 -40.9534 0.335416 -41.0727 33.6146 9.10797 -1.81693 11.992 -53.8594 TIMING: 2342800 CPU: 7062.56, 0.00296889/step Wall: 7062.56, 0.00296889/step, 2.19137 hours remaining, 208.968750 MB of memory in use. ENERGY: 2342800 755.9931 2069.8544 1927.2186 112.4822 -206089.2107 17782.1996 0.0000 0.0000 34299.4529 -149142.0100 299.5457 -183441.4629 -149045.5432 299.6440 -143.8156 -108.8354 558070.2210 -1.0550 -1.0417 PRESSURE: 2343000 -14.2676 -27.3499 -102.481 -27.3493 367.424 2.19735 -102.481 2.19933 -49.4258 GPRESSURE: 2343000 33.4588 -79.2962 -141.975 7.18974 368.422 10.9179 -39.1 56.3941 -9.1904 PRESSAVG: 2343000 4.872 -52.4246 -22.2666 -52.4245 25.2587 13.0659 -22.2666 13.0659 -35.8269 GPRESSAVG: 2343000 5.36939 -53.6037 -25.254 -52.9568 23.9558 14.5029 -21.6666 14.7362 -34.5387 TIMING: 2343000 CPU: 7063.15, 0.00297363/step Wall: 7063.15, 0.00297363/step, 2.19471 hours remaining, 208.968750 MB of memory in use. ENERGY: 2343000 698.4975 2151.5638 1945.4169 106.4403 -206192.5404 17880.9233 0.0000 0.0000 34035.8688 -149373.8296 297.2437 -183409.6985 -149275.7668 299.3257 101.2435 130.8967 558377.7039 -1.8987 -1.7378 PRESSURE: 2343200 88.5305 53.0935 -17.4839 53.0941 -95.7913 175.841 -17.4837 175.841 -47.3109 GPRESSURE: 2343200 126.376 124.851 17.2639 21.7079 -3.69255 132.5 -14.3233 163.507 -85.892 PRESSAVG: 2343200 10.2887 -21.918 -82.24 -21.9179 6.32004 -31.3621 -82.24 -31.362 -23.1651 GPRESSAVG: 2343200 10.8665 -20.3035 -80.7215 -23.3699 5.63357 -31.9115 -82.617 -30.8159 -23.0444 TIMING: 2343200 CPU: 7063.75, 0.00299779/step Wall: 7063.75, 0.00299779/step, 2.21237 hours remaining, 208.968750 MB of memory in use. ENERGY: 2343200 779.9582 2129.7681 1923.7666 130.3893 -206556.8375 17965.5338 0.0000 0.0000 34162.0919 -149465.3297 298.3460 -183627.4216 -149372.1969 298.6257 -18.1906 12.2638 557936.6105 -2.1855 -2.1814 PRESSURE: 2343400 246.539 -100.299 63.4148 -100.299 201.321 -179.919 63.4151 -179.919 76.1428 GPRESSURE: 2343400 306.076 -138.759 91.5398 10.6167 238.043 -79.2077 31.3257 -224.326 77.8056 PRESSAVG: 2343400 12.478 -30.9671 2.99769 -30.9671 -25.495 -8.50775 2.99774 -8.50778 41.7591 GPRESSAVG: 2343400 12.5334 -31.1695 2.79648 -30.4797 -24.7071 -8.10285 2.43841 -11.4285 40.9949 TIMING: 2343400 CPU: 7064.35, 0.00298003/step Wall: 7064.35, 0.00298003/step, 2.1991 hours remaining, 208.968750 MB of memory in use. ENERGY: 2343400 695.0357 2123.8684 1937.9734 119.9296 -206461.4646 18108.4817 0.0000 0.0000 34245.6144 -149230.5614 299.0755 -183476.1758 -149133.3569 298.8316 174.6678 207.3084 556757.1228 9.5807 9.6071 PRESSURE: 2343600 -197.718 -62.3255 96.3547 -62.3263 196.419 108.876 96.3552 108.875 180.847 GPRESSURE: 2343600 -185.049 -75.804 13.2693 -106.302 267.359 64.9188 199.63 87.9243 186.861 PRESSAVG: 2343600 20.674 -8.10736 -16.8138 -8.10734 1.67092 -32.8962 -16.8138 -32.8963 -38.3152 GPRESSAVG: 2343600 19.8382 -8.23939 -15.934 -6.61308 2.74799 -33.4533 -16.9707 -31.0997 -38.2902 TIMING: 2343600 CPU: 7064.94, 0.0029777/step Wall: 7064.94, 0.0029777/step, 2.19722 hours remaining, 208.968750 MB of memory in use. ENERGY: 2343600 767.9428 2141.1785 1917.3660 109.4868 -206505.2077 17868.3152 0.0000 0.0000 34414.3741 -149286.5444 300.5493 -183700.9185 -149188.6419 298.8915 59.8492 89.7234 556723.4000 -5.3234 -5.2347 PRESSURE: 2343800 130.051 -112.008 72.4601 -112.008 404.974 21.7384 72.4605 21.738 -77.5927 GPRESSURE: 2343800 135.195 -106.621 34.1788 -123.892 377.515 60.5151 168.094 4.66378 42.0801 PRESSAVG: 2343800 -88.1558 -26.2806 44.9186 -26.2805 133.588 1.62291 44.9186 1.62283 -20.676 GPRESSAVG: 2343800 -88.5999 -26.506 44.3733 -26.6058 133.016 2.51166 45.9065 1.62434 -20.2097 TIMING: 2343800 CPU: 7065.54, 0.0029876/step Wall: 7065.54, 0.0029876/step, 2.20435 hours remaining, 209.066406 MB of memory in use. ENERGY: 2343800 747.1215 2150.6831 1930.4428 106.2962 -206935.1052 18132.4249 0.0000 0.0000 34447.3241 -149420.8128 300.8370 -183868.1368 -149321.2850 299.4551 152.4773 184.9298 555595.4880 8.2519 8.0686 PRESSURE: 2344000 -162.017 -59.8565 -7.53901 -59.8561 -217.296 -116.707 -7.53966 -116.706 48.8105 GPRESSURE: 2344000 -224.2 19.4063 -5.23365 -117.574 -97.9159 -124.493 59.7295 -85.9062 103.112 PRESSAVG: 2344000 -81.1125 -39.0748 12.2241 -39.0749 -24.5498 -39.1466 12.2241 -39.1465 94.4876 GPRESSAVG: 2344000 -82.1433 -40.5501 11.3642 -39.7581 -23.5921 -41.6763 12.1737 -39.1516 94.8104 TIMING: 2344000 CPU: 7066.14, 0.00297919/step Wall: 7066.14, 0.00297919/step, 2.19798 hours remaining, 209.066406 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: 2344000 737.5582 2125.2638 1960.4660 114.7100 -206235.0643 17571.5580 0.0000 0.0000 34164.1327 -149561.3757 298.3639 -183725.5084 -149466.4540 299.0398 -110.1675 -73.0015 556189.3716 -3.7249 -3.6417 PRESSURE: 2344200 -157.961 -57.4306 -23.3102 -57.4303 38.0277 -33.5168 -23.3104 -33.5175 -279.808 GPRESSURE: 2344200 -108.564 -54.8828 -76.3454 -18.9623 1.52318 -61.7752 21.5784 27.8791 -190.31 PRESSAVG: 2344200 -1.18447 -26.4295 -46.0765 -26.4295 -9.04166 -14.7256 -46.0766 -14.7256 3.18402 GPRESSAVG: 2344200 1.44826 -24.9377 -46.6142 -26.0632 -10.3508 -12.1529 -46.2576 -16.3142 1.85148 TIMING: 2344200 CPU: 7066.74, 0.00301235/step Wall: 7066.74, 0.00301235/step, 2.22228 hours remaining, 209.066406 MB of memory in use. ENERGY: 2344200 779.6022 2091.6282 1946.2618 118.2675 -206297.9020 17572.3700 0.0000 0.0000 34261.8621 -149527.9100 299.2174 -183789.7722 -149429.7660 298.8884 -133.2470 -99.1168 556683.4521 -2.3474 -2.3504 LDB: ============= START OF LOAD BALANCING ============== 7070.26 LDB: ============== END OF LOAD BALANCING =============== 7070.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7070.26 LDB: ============= START OF LOAD BALANCING ============== 7070.56 LDB: Largest compute 4800 load 0.029678 is 25.1% of average load 0.118037 LDB: Average compute 0.001725 is 1.5% of average load 0.118037 LDB: TIME 7070.57 LOAD: AVG 0.118037 MAX 0.208611 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.48 MB LDB: TIME 7070.57 LOAD: AVG 0.118037 MAX 0.208611 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.727 MB LDB: TIME 7070.57 LOAD: AVG 0.118037 MAX 0.208611 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.727 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7070.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7070.57 PRESSURE: 2344400 34.8154 24.5859 44.3538 24.5849 38.1651 52.5999 44.354 52.601 -240.105 GPRESSURE: 2344400 45.2312 60.4025 57.2642 -45.354 117.657 31.4192 23.2171 58.9786 -242.804 PRESSAVG: 2344400 -45.7129 6.89523 -7.00149 6.89524 21.5418 6.79855 -7.00142 6.79859 45.6653 GPRESSAVG: 2344400 -46.519 7.23578 -7.21979 5.58879 22.2007 5.89861 -5.87593 8.31809 46.0185 TIMING: 2344400 CPU: 7067.36, 0.00308018/step Wall: 7067.36, 0.00308018/step, 2.27215 hours remaining, 211.835938 MB of memory in use. ENERGY: 2344400 738.9271 2128.2156 1953.1223 105.8474 -206186.7807 17676.0493 0.0000 0.0000 34074.8915 -149509.7275 297.5845 -183584.6190 -149404.1623 298.7537 -55.7080 -26.6385 556142.9447 7.1647 7.2334 PRESSURE: 2344600 -26.3969 -30.1277 122.058 -30.1261 -9.20214 -85.2091 122.057 -85.2114 -147.113 GPRESSURE: 2344600 -8.54826 61.0212 138.087 -52.5083 22.0263 -88.3895 157.79 -125.883 -98.1629 PRESSAVG: 2344600 -19.534 -18.5093 -26.623 -18.5093 -54.9322 29.7067 -26.6229 29.7067 51.4851 GPRESSAVG: 2344600 -19.4987 -18.7995 -27.0262 -17.5635 -56.0254 28.2498 -26.7232 29.0277 52.7407 TIMING: 2344600 CPU: 7067.95, 0.00299465/step Wall: 7067.95, 0.00299465/step, 2.20889 hours remaining, 212.093750 MB of memory in use. ENERGY: 2344600 777.4860 2110.1677 1929.9988 112.9317 -206702.2021 17946.8660 0.0000 0.0000 34201.7383 -149623.0135 298.6923 -183824.7518 -149529.6012 298.5685 -60.9041 -28.2283 557243.4700 -7.6604 -7.5945 PRESSURE: 2344800 -72.0372 -146.457 -145.539 -146.457 -204.676 -61.0283 -145.539 -61.0286 -76.9275 GPRESSURE: 2344800 -11.7864 -138.814 -190.524 -112.471 -179.447 -182.042 -107.744 29.8565 -52.971 PRESSAVG: 2344800 -8.35472 -9.6638 -16.8279 -9.66377 25.2418 -48.3046 -16.828 -48.3045 2.63774 GPRESSAVG: 2344800 -8.34549 -11.1444 -13.6883 -6.95522 24.8682 -48.9109 -17.3207 -47.4575 2.60596 TIMING: 2344800 CPU: 7068.56, 0.00302101/step Wall: 7068.56, 0.00302101/step, 2.22816 hours remaining, 212.093750 MB of memory in use. ENERGY: 2344800 811.7383 2097.4271 1959.9871 114.5912 -207215.5651 18152.4189 0.0000 0.0000 34263.7763 -149815.6262 299.2341 -184079.4024 -149717.9104 298.2770 -117.8804 -81.4016 556294.7794 6.5083 6.3762 PRESSURE: 2345000 -157.651 -170.821 12.5468 -170.821 69.8204 -68.158 12.5473 -68.1577 -221.992 GPRESSURE: 2345000 -97.0997 -152.71 6.85161 -155.232 94.7506 -72.1232 97.3428 4.82245 -210.963 PRESSAVG: 2345000 17.6594 20.5007 -21.3074 20.5008 -21.0388 -66.7385 -21.3074 -66.7385 -15.5852 GPRESSAVG: 2345000 17.9177 21.1989 -23.8572 19.1481 -20.8844 -63.294 -21.6602 -68.2826 -15.9275 TIMING: 2345000 CPU: 7069.16, 0.00298776/step Wall: 7069.16, 0.00298776/step, 2.20347 hours remaining, 212.093750 MB of memory in use. ENERGY: 2345000 732.7177 2053.0334 1961.6474 105.7833 -206460.4789 17821.5146 0.0000 0.0000 34010.4964 -149775.2861 297.0221 -183785.7825 -149671.1080 297.7350 -103.2743 -71.1041 557796.1145 -6.3215 -6.2981 PRESSURE: 2345200 -209.95 0.757177 -91.2272 0.756965 34.4043 91.9787 -91.2259 91.979 -59.4497 GPRESSURE: 2345200 -123.914 7.8072 6.36427 -28.757 85.4902 107.362 -117.335 -24.7508 -101.447 PRESSAVG: 2345200 60.2548 -12.217 24.3914 -12.217 -1.03963 -9.13511 24.3912 -9.13517 -39.659 GPRESSAVG: 2345200 59.5554 -12.2765 25.4394 -12.7431 -1.08651 -11.5977 22.9353 -6.17231 -39.8446 TIMING: 2345200 CPU: 7069.76, 0.00302099/step Wall: 7069.76, 0.00302099/step, 2.22782 hours remaining, 212.093750 MB of memory in use. ENERGY: 2345200 770.4609 2161.1464 1942.8149 100.3841 -206592.1404 17880.9560 0.0000 0.0000 34141.3378 -149595.0403 298.1648 -183736.3781 -149507.4439 298.3786 -78.3319 -46.6238 557133.2690 6.5188 6.2081 PRESSURE: 2345400 289.491 -89.1998 -12.0808 -89.2012 176.999 -21.7521 -12.0804 -21.7531 237.249 GPRESSURE: 2345400 373.033 -89.2258 -75.9819 -157.563 152.913 34.3794 -4.45103 26.774 281.824 PRESSAVG: 2345400 -18.0702 26.316 24.3592 26.316 31.5872 33.8459 24.3593 33.8459 -6.60378 GPRESSAVG: 2345400 -18.2231 27.027 25.7535 25.5429 32.5448 34.813 23.9425 30.4264 -7.19739 TIMING: 2345400 CPU: 7070.37, 0.00305172/step Wall: 7070.37, 0.00305172/step, 2.25031 hours remaining, 212.093750 MB of memory in use. ENERGY: 2345400 754.9272 2145.1502 1953.1199 105.4489 -206920.9976 18131.9758 0.0000 0.0000 34230.0964 -149600.2791 298.9399 -183830.3755 -149502.8844 298.7541 234.5795 269.2566 555499.6546 2.3044 2.3748 PRESSURE: 2345600 -171.219 216.161 -72.959 216.16 296.968 127.139 -72.9586 127.139 15.7185 GPRESSURE: 2345600 -102.754 201.498 -73.0914 177.016 259.21 36.9178 -125.314 119.378 77.6337 PRESSAVG: 2345600 -16.6703 42.4157 -46.919 42.4158 61.2514 -43.9036 -46.9191 -43.9034 -17.0772 GPRESSAVG: 2345600 -16.4456 41.9604 -47.3631 41.4872 60.1667 -43.9499 -46.3905 -40.8067 -16.4626 TIMING: 2345600 CPU: 7070.97, 0.00301461/step Wall: 7070.97, 0.00301461/step, 2.22277 hours remaining, 212.093750 MB of memory in use. ENERGY: 2345600 750.7473 2107.3516 1948.8191 116.1447 -206549.1924 17961.0336 0.0000 0.0000 34248.6090 -149416.4871 299.1016 -183665.0961 -149318.5274 298.9031 47.1557 78.0301 556993.6232 9.1680 9.0862 PRESSURE: 2345800 -9.64054 -117.415 -61.4397 -117.416 -105.496 134.587 -61.4386 134.588 -267.597 GPRESSURE: 2345800 15.3799 -118.595 -37.965 -48.0894 -38.9591 146.853 -83.4469 98.8487 -274.173 PRESSAVG: 2345800 18.2743 -11.6635 -52.9439 -11.6635 22.2285 42.3496 -52.944 42.3498 -4.99225 GPRESSAVG: 2345800 17.339 -14.4054 -53.735 -8.3584 23.5982 42.2515 -50.0555 41.7902 -5.89668 TIMING: 2345800 CPU: 7071.58, 0.00301563/step Wall: 7071.58, 0.00301563/step, 2.22336 hours remaining, 212.093750 MB of memory in use. ENERGY: 2345800 744.3819 2085.4083 1938.6439 114.1368 -206193.4424 17742.8020 0.0000 0.0000 34045.7397 -149522.3298 297.3299 -183568.0696 -149426.7175 298.3892 -127.5778 -99.2507 557694.7634 11.8369 11.6802 PRESSURE: 2346000 -169.486 193.527 -48.1914 193.528 293.855 161.597 -48.1904 161.597 92.9935 GPRESSURE: 2346000 -149.994 172.246 -16.3981 216.215 293.599 155.199 -19.5007 92.4323 167.471 PRESSAVG: 2346000 16.7413 26.0315 -14.6289 26.0314 33.6235 26.9271 -14.6289 26.9272 -38.0942 GPRESSAVG: 2346000 17.9006 27.2626 -14.7342 24.2757 31.9679 28.0148 -15.4954 25.761 -38.0202 TIMING: 2346000 CPU: 7072.17, 0.00299183/step Wall: 7072.17, 0.00299183/step, 2.20564 hours remaining, 212.093750 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: 2346000 776.2220 2110.2099 1939.7870 117.1195 -206758.9035 18091.5633 0.0000 0.0000 34345.0655 -149378.9363 299.9440 -183724.0018 -149281.5244 298.9619 72.4542 103.6917 556508.9495 4.0902 3.9494 PRESSURE: 2346200 -193.082 -141.434 77.707 -141.432 52.0652 107.05 77.7073 107.052 -237.776 GPRESSURE: 2346200 -89.6716 -92.2999 51.1597 -161.011 35.836 96.0867 68.4947 124.585 -209.777 PRESSAVG: 2346200 -11.2528 -8.21247 -29.507 -8.21245 -38.0406 -20.4765 -29.5071 -20.4765 28.4393 GPRESSAVG: 2346200 -11.7904 -6.18322 -29.8803 -9.50662 -37.0677 -22.0998 -29.3394 -19.0475 28.0374 TIMING: 2346200 CPU: 7072.77, 0.00299671/step Wall: 7072.77, 0.00299671/step, 2.20907 hours remaining, 212.093750 MB of memory in use. ENERGY: 2346200 758.5511 2042.5822 1947.5088 119.3972 -206077.8864 17625.7801 0.0000 0.0000 34118.3476 -149465.7192 297.9640 -183584.0668 -149369.2115 299.7069 -126.2643 -87.8710 556665.0973 -6.9514 -6.9402 PRESSURE: 2346400 -132.641 -1.25648 -60.8225 -1.25584 44.207 27.2427 -60.8229 27.2422 -57.2645 GPRESSURE: 2346400 -111.446 22.4963 -56.5339 68.9458 67.0725 71.5356 -155.928 74.316 -18.0519 PRESSAVG: 2346400 -31.6856 -20.9993 -5.50642 -20.9992 -47.7024 -12.7273 -5.50637 -12.7274 55.4627 GPRESSAVG: 2346400 -31.2887 -21.5844 -4.55575 -19.7726 -48.1173 -11.4038 -6.06259 -13.6014 55.4982 TIMING: 2346400 CPU: 7073.37, 0.00297994/step Wall: 7073.37, 0.00297994/step, 2.19655 hours remaining, 212.093750 MB of memory in use. ENERGY: 2346400 761.0063 2107.2977 1919.1218 124.0825 -206284.0964 17887.2462 0.0000 0.0000 33977.0510 -149508.2908 296.7300 -183485.3418 -149410.7296 298.3673 -48.5663 -20.8083 558847.5075 -7.9751 -7.9693 PRESSURE: 2346600 -6.41353 -51.0386 52.2923 -51.0371 -170.516 -174.149 52.2936 -174.148 -229.98 GPRESSURE: 2346600 31.7485 -118.747 17.7403 55.9022 -98.9634 -190.678 109.405 -220.547 -239.413 PRESSAVG: 2346600 53.1218 -0.215546 7.29472 -0.215523 -2.722 -35.8925 7.29468 -35.8925 -38.9254 GPRESSAVG: 2346600 53.8125 -0.816689 5.81876 -2.05118 -2.58725 -36.1299 7.7879 -38.075 -39.9309 TIMING: 2346600 CPU: 7073.97, 0.00297862/step Wall: 7073.97, 0.00297862/step, 2.19541 hours remaining, 212.093750 MB of memory in use. ENERGY: 2346600 772.2319 2100.4329 1958.7854 106.4195 -206373.7118 17837.5394 0.0000 0.0000 34273.2833 -149325.0194 299.3171 -183598.3027 -149224.9555 298.8038 -135.6366 -102.2094 558813.0741 3.8248 3.7648 PRESSURE: 2346800 -305.86 54.3358 174.707 54.3349 -218.612 4.30922 174.708 4.30939 -434.931 GPRESSURE: 2346800 -307.813 7.82064 158.019 14.7041 -199.426 -24.0575 113.114 -23.6239 -356.216 PRESSAVG: 2346800 47.525 -34.6853 -13.9515 -34.6853 22.0442 3.0283 -13.9515 3.02833 -72.3714 GPRESSAVG: 2346800 47.1657 -34.4287 -12.1969 -34.3623 21.4352 2.84633 -13.0693 5.20925 -71.3529 TIMING: 2346800 CPU: 7074.56, 0.00297555/step Wall: 7074.56, 0.00297555/step, 2.19298 hours remaining, 212.164062 MB of memory in use. ENERGY: 2346800 767.4255 2053.1335 1936.3621 112.6368 -205641.0292 17373.6068 0.0000 0.0000 34134.9587 -149262.9058 298.1091 -183397.8644 -149170.6837 299.2269 -319.8009 -287.8183 559778.2472 -0.9341 -0.9174 PRESSURE: 2347000 93.9825 -43.8117 138.092 -43.8117 332.688 62.5971 138.092 62.5963 231.086 GPRESSURE: 2347000 72.6783 14.9629 210.043 -65.6708 328.56 4.39562 -32.3086 30.8943 351.049 PRESSAVG: 2347000 -21.4771 -34.5474 9.18458 -34.5474 -63.8383 -50.3233 9.18454 -50.3234 11.8008 GPRESSAVG: 2347000 -23.1804 -34.0217 7.92009 -33.1899 -62.7171 -50.4999 7.41259 -50.7099 12.4401 TIMING: 2347000 CPU: 7075.16, 0.00300396/step Wall: 7075.16, 0.00300396/step, 2.21375 hours remaining, 212.164062 MB of memory in use. ENERGY: 2347000 775.3823 2119.4081 1954.5412 109.1145 -206950.2591 18324.8917 0.0000 0.0000 34372.2550 -149294.6663 300.1815 -183666.9213 -149197.2782 298.8647 219.2522 250.7625 557107.7248 -24.5048 -24.4858 PRESSURE: 2347200 -357.491 64.4203 176.521 64.4209 -116.692 -190.419 176.519 -190.421 -136.277 GPRESSURE: 2347200 -313.71 38.7424 173.728 -8.37396 -85.9601 -144.824 119.807 -157.83 -117.318 PRESSAVG: 2347200 -69.4217 25.0851 -14.2623 25.0852 80.964 -68.7426 -14.2623 -68.7426 -7.22702 GPRESSAVG: 2347200 -68.1387 24.6949 -13.4874 23.4611 80.1634 -67.1717 -12.6927 -68.0476 -7.85487 TIMING: 2347200 CPU: 7075.76, 0.00299488/step Wall: 7075.76, 0.00299488/step, 2.2069 hours remaining, 212.164062 MB of memory in use. ENERGY: 2347200 793.8496 2126.0484 1916.4467 115.9699 -205953.0369 17692.7153 0.0000 0.0000 34217.9930 -149090.0140 298.8342 -183308.0070 -148990.7114 298.8979 -203.4866 -172.3293 559390.2065 1.4384 1.3899 PRESSURE: 2347400 -118.972 -148.62 17.5395 -148.621 -287.835 -55.6088 17.5398 -55.6088 -64.762 GPRESSURE: 2347400 -62.2989 -130.005 -7.79559 -170.599 -203.049 -146.711 -52.6985 -36.0752 -115.26 PRESSAVG: 2347400 2.53438 -24.6441 -4.38083 -24.644 -43.6442 -41.2437 -4.38085 -41.2438 33.8694 GPRESSAVG: 2347400 3.0389 -24.3726 -3.0939 -23.0364 -43.4096 -42.1488 -4.69477 -42.0551 33.4617 TIMING: 2347400 CPU: 7076.36, 0.00299879/step Wall: 7076.36, 0.00299879/step, 2.20961 hours remaining, 212.164062 MB of memory in use. ENERGY: 2347400 764.7605 2135.6763 1914.6480 97.1199 -206107.6099 17665.7596 0.0000 0.0000 34531.3081 -148998.3376 301.5705 -183529.6457 -148891.4036 299.9915 -157.1895 -126.8692 558581.8672 -2.4135 -2.3030 PRESSURE: 2347600 44.926 -35.9101 -56.435 -35.9097 210.531 14.5398 -56.4352 14.5394 287.606 GPRESSURE: 2347600 126.764 -40.4919 -120.632 -28.9715 188.941 67.8986 54.8404 -15.5746 307.698 PRESSAVG: 2347600 -51.4342 10.1528 21.2351 10.1527 -17.5503 -16.1592 21.2351 -16.1592 35.7926 GPRESSAVG: 2347600 -53.3971 12.237 20.1269 5.9573 -17.417 -16.6909 21.0258 -15.847 36.6367 TIMING: 2347600 CPU: 7076.96, 0.00299319/step Wall: 7076.96, 0.00299319/step, 2.20532 hours remaining, 212.164062 MB of memory in use. ENERGY: 2347600 760.8422 2161.1635 1923.9561 116.0727 -206238.3766 18098.0838 0.0000 0.0000 34355.8885 -148822.3698 300.0385 -183178.2583 -148733.4955 300.3458 181.0209 207.8009 557691.6705 -11.0640 -11.3925 PRESSURE: 2347800 -95.3459 -92.96 -56.2782 -92.96 110.065 -58.3023 -56.2771 -58.3025 176.914 GPRESSURE: 2347800 -63.1456 -70.2244 -67.8397 -91.4832 176.957 -76.7997 -0.875279 -105.922 180.67 PRESSAVG: 2347800 -53.4869 -5.6871 -19.3512 -5.68703 43.4279 7.71593 -19.3513 7.71598 61.1369 GPRESSAVG: 2347800 -53.1256 -6.98356 -20.0328 -1.262 43.1298 9.26025 -19.4281 7.9391 61.1794 TIMING: 2347800 CPU: 7077.56, 0.0030229/step Wall: 7077.56, 0.0030229/step, 2.22704 hours remaining, 212.164062 MB of memory in use. ENERGY: 2347800 742.8654 2112.7107 1919.6374 117.7060 -205414.9075 17585.5791 0.0000 0.0000 34273.2568 -148663.1520 299.3169 -182936.4088 -148569.6239 300.3913 63.8776 98.1605 557866.5364 17.0260 17.0612 PRESSURE: 2348000 81.3063 178.523 -51.6753 178.523 -99.6015 41.3967 -51.6741 41.3975 -190.765 GPRESSURE: 2348000 80.4657 214.121 -37.8674 54.9854 -70.6049 56.1901 -52.9829 -11.8654 -123.244 PRESSAVG: 2348000 5.26532 -7.46377 31.141 -7.46369 -87.9828 14.8527 31.141 14.8526 52.5986 GPRESSAVG: 2348000 5.99452 -9.27121 32.6603 -9.67505 -87.7078 12.1547 29.9868 15.6863 51.8809 TIMING: 2348000 CPU: 7078.17, 0.00302842/step Wall: 7078.17, 0.00302842/step, 2.23094 hours remaining, 212.164062 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: 2348000 756.1012 2059.5595 1936.0330 118.8168 -205681.9459 17636.1419 0.0000 0.0000 34453.4016 -148721.8918 300.8901 -183175.2934 -148626.6398 300.8549 -69.6867 -37.7943 557702.9417 -10.0396 -9.9441 PRESSURE: 2348200 -142.939 -61.1061 -113.125 -61.1045 -317.286 -53.8249 -113.124 -53.8251 -94.8553 GPRESSURE: 2348200 -147.617 -55.9336 -132.082 -151.5 -268.688 -83.5592 -95.8088 -13.726 -31.0091 PRESSAVG: 2348200 -16.862 36.8495 52.5053 36.8494 7.89654 16.7424 52.5053 16.7424 -12.6143 GPRESSAVG: 2348200 -17.2347 35.378 50.6385 40.5831 7.57622 19.2227 53.7194 15.6222 -11.9987 TIMING: 2348200 CPU: 7078.78, 0.00303237/step Wall: 7078.78, 0.00303237/step, 2.23368 hours remaining, 212.164062 MB of memory in use. ENERGY: 2348200 768.4766 2054.9942 1902.3415 113.6030 -205696.2913 17595.5098 0.0000 0.0000 34398.5287 -148862.8375 300.4109 -183261.3662 -148767.6415 301.0391 -185.0267 -149.1047 558031.8941 -7.1933 -7.2190 LDB: ============= START OF LOAD BALANCING ============== 7082.3 LDB: ============== END OF LOAD BALANCING =============== 7082.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7082.3 LDB: ============= START OF LOAD BALANCING ============== 7082.6 LDB: Largest compute 4800 load 0.028273 is 24.0% of average load 0.118011 LDB: Average compute 0.001732 is 1.5% of average load 0.118011 LDB: TIME 7082.6 LOAD: AVG 0.118011 MAX 0.206377 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.891 MB LDB: TIME 7082.6 LOAD: AVG 0.118011 MAX 0.206377 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.891 MB LDB: TIME 7082.6 LOAD: AVG 0.118011 MAX 0.206377 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.891 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7082.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7082.61 PRESSURE: 2348400 344.664 123.337 104.175 123.338 154.719 -13.4296 104.174 -13.4284 -71.2853 GPRESSURE: 2348400 414.833 51.6728 105.712 111.016 196.836 93.3721 123.416 -43.0327 -83.4104 PRESSAVG: 2348400 -2.9768 3.9949 16.8724 3.9948 -2.54192 28.0331 16.8723 28.0332 -7.71181 GPRESSAVG: 2348400 -2.22693 5.78737 18.4344 1.21223 -2.23624 27.2258 17.5451 26.8959 -8.34229 TIMING: 2348400 CPU: 7079.39, 0.00308683/step Wall: 7079.39, 0.00308683/step, 2.27362 hours remaining, 208.285156 MB of memory in use. ENERGY: 2348400 695.3281 2105.5395 1924.5011 109.6784 -205551.6824 17695.1056 0.0000 0.0000 34292.9012 -148728.6285 299.4884 -183021.5297 -148627.5290 300.9336 142.6994 176.0861 557838.5781 -4.4102 -4.2685 PRESSURE: 2348600 52.4375 -62.0266 71.9672 -62.026 161.066 63.4127 71.9677 63.4131 -121.958 GPRESSURE: 2348600 152.925 -65.303 48.4077 -72.2639 191.737 36.8572 76.9007 24.4537 -157.795 PRESSAVG: 2348600 13.5675 -1.4317 32.0349 -1.43164 -23.9108 -4.87169 32.0349 -4.87156 -17.7684 GPRESSAVG: 2348600 14.2882 0.968392 31.1406 -1.70609 -24.1788 -6.3958 32.4358 -3.21017 -18.237 TIMING: 2348600 CPU: 7080, 0.00302832/step Wall: 7080, 0.00302832/step, 2.23035 hours remaining, 208.285156 MB of memory in use. ENERGY: 2348600 723.5494 2085.0967 1897.4943 122.3386 -205935.4124 17763.5084 0.0000 0.0000 34375.9234 -148967.5016 300.2135 -183343.4250 -148881.5998 300.3238 30.5149 62.2891 558609.4586 -9.3706 -9.3759 PRESSURE: 2348800 36.4486 -94.7969 -117.554 -94.7962 179.355 55.5935 -117.553 55.5943 -248.589 GPRESSURE: 2348800 75.9361 -5.0326 -94.8591 -70.7797 189.527 48.8645 -116.447 -1.10171 -196.12 PRESSAVG: 2348800 41.2944 -15.8395 13.3308 -15.8395 15.1524 -4.14726 13.3308 -4.14735 -61.6119 GPRESSAVG: 2348800 39.4253 -18.7525 14.0862 -15.0832 16.1749 -1.57276 12.5784 -5.39176 -59.9821 TIMING: 2348800 CPU: 7080.61, 0.00306253/step Wall: 7080.61, 0.00306253/step, 2.25538 hours remaining, 208.285156 MB of memory in use. ENERGY: 2348800 714.4971 2080.7958 1937.2861 102.4414 -205694.4428 17571.7027 0.0000 0.0000 34274.2137 -149013.5061 299.3252 -183287.7198 -148916.2103 299.7163 -10.9285 23.1142 557212.1173 -1.7217 -1.4607 PRESSURE: 2349000 -38.1881 126.637 9.22067 126.637 82.8079 -40.0113 9.21967 -40.0118 -37.5458 GPRESSURE: 2349000 1.30293 201.266 24.1528 87.6217 130.918 -8.5872 30.5341 -48.8897 -22.3883 PRESSAVG: 2349000 36.3339 -26.471 -72.0558 -26.471 29.7613 -28.1292 -72.056 -28.1291 -45.3703 GPRESSAVG: 2349000 38.2166 -25.1038 -74.1541 -26.9371 29.1085 -28.9886 -69.3422 -28.7093 -46.5038 TIMING: 2349000 CPU: 7081.21, 0.00301721/step Wall: 7081.21, 0.00301721/step, 2.22184 hours remaining, 208.488281 MB of memory in use. ENERGY: 2349000 739.4119 2118.2423 1946.1643 109.0264 -206139.1105 17935.7201 0.0000 0.0000 34426.4222 -148864.1233 300.6545 -183290.5455 -148770.3936 299.9022 2.3580 36.6110 559683.5242 6.9083 6.9404 PRESSURE: 2349200 164.721 286.632 7.52706 286.632 295.745 -71.4059 7.52703 -71.4065 -144.203 GPRESSURE: 2349200 177.229 349.37 20.149 165.163 412.967 -25.6232 64.7793 -178.946 -173.474 PRESSAVG: 2349200 -62.7062 5.35865 3.07169 5.35869 90.867 -44.6261 3.0717 -44.626 -42.4051 GPRESSAVG: 2349200 -64.2782 6.24853 5.47828 3.05663 92.5787 -45.155 0.93262 -43.8344 -42.5454 TIMING: 2349200 CPU: 7081.82, 0.00301769/step Wall: 7081.82, 0.00301769/step, 2.22203 hours remaining, 208.488281 MB of memory in use. ENERGY: 2349200 726.7934 2059.8478 1958.0443 107.4586 -205789.6802 17692.6715 0.0000 0.0000 34412.7471 -148832.1175 300.5351 -183244.8646 -148727.8153 300.0585 105.4211 138.9077 557735.7134 -4.7481 -4.7483 PRESSURE: 2349400 -150.052 -27.3165 72.0655 -27.3164 144.539 -48.8949 72.0656 -48.8948 213.601 GPRESSURE: 2349400 -88.9653 -115.554 109.393 62.4691 209.284 -5.70744 35.8743 -89.7866 171.786 PRESSAVG: 2349400 -34.4775 -0.010381 -46.8107 -0.0104133 17.6222 -48.2108 -46.8107 -48.2109 35.5905 GPRESSAVG: 2349400 -35.1385 -1.75159 -48.3645 2.87394 17.754 -46.8604 -47.0685 -48.8443 36.0892 TIMING: 2349400 CPU: 7082.42, 0.00301018/step Wall: 7082.42, 0.00301018/step, 2.21633 hours remaining, 208.488281 MB of memory in use. ENERGY: 2349400 766.5123 2075.2228 1945.1461 112.5958 -205637.9217 17666.4220 0.0000 0.0000 34337.3126 -148734.7101 299.8763 -183072.0227 -148639.2952 300.1615 69.3628 97.3682 557140.2690 6.2451 6.2349 PRESSURE: 2349600 56.6964 14.2572 19.0821 14.2578 -87.9284 -178.466 19.0825 -178.464 -117.117 GPRESSURE: 2349600 27.0042 54.3009 30.8043 -2.97891 3.2343 -100.087 88.3065 -145.033 -85.0958 PRESSAVG: 2349600 -37.9206 -64.5856 -86.4657 -64.5856 -9.77206 4.64686 -86.4657 4.64694 85.8149 GPRESSAVG: 2349600 -35.923 -62.5524 -85.3214 -67.3042 -10.7583 4.39874 -86.1058 3.72491 83.8271 TIMING: 2349600 CPU: 7083.02, 0.00301887/step Wall: 7083.02, 0.00301887/step, 2.22256 hours remaining, 208.632812 MB of memory in use. ENERGY: 2349600 736.1304 2077.4583 1918.3481 101.0423 -205440.1194 17621.5574 0.0000 0.0000 34376.9640 -148608.6189 300.2226 -182985.5829 -148510.9492 301.5018 -49.4496 -18.2858 558171.6656 12.7074 12.3819 PRESSURE: 2349800 -76.8788 -30.5431 43.9725 -30.5433 -121.124 135.582 43.9737 135.583 73.6496 GPRESSURE: 2349800 -53.0581 -52.558 -0.772577 -18.2367 -91.5798 93.6282 106.245 195.954 115.461 PRESSAVG: 2349800 41.2811 35.4232 -32.3058 35.4233 -52.6401 55.2457 -32.306 55.2457 14.1635 GPRESSAVG: 2349800 40.107 32.8678 -34.6761 37.7439 -52.2218 53.7786 -30.7757 57.0588 14.8585 TIMING: 2349800 CPU: 7083.62, 0.00298306/step Wall: 7083.62, 0.00298306/step, 2.19603 hours remaining, 208.632812 MB of memory in use. ENERGY: 2349800 756.1172 2057.5012 1932.5894 106.2097 -205855.6681 17822.9049 0.0000 0.0000 34480.3217 -148700.0242 301.1252 -183180.3458 -148600.3388 300.9434 -41.4510 -9.7256 558781.1525 0.9348 0.9146 PRESSURE: 2350000 -34.2771 -27.7626 74.118 -27.7629 -151.416 17.5088 74.118 17.505 -192.563 GPRESSURE: 2350000 30.2615 -76.1639 91.3016 -56.6343 -108.876 37.714 -32.9451 -9.06075 -191.754 PRESSAVG: 2350000 5.89099 6.18432 59.6168 6.18435 -15.4762 2.68385 59.6168 2.68388 33.6546 GPRESSAVG: 2350000 6.27056 5.89475 62.6142 5.53201 -15.9204 1.37096 56.8008 6.31107 33.2883 TIMING: 2350000 CPU: 7084.22, 0.0030081/step Wall: 7084.22, 0.0030081/step, 2.2143 hours remaining, 208.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2350000 756.3020 2079.0987 1914.6137 110.7363 -205657.3197 17747.3227 0.0000 0.0000 34491.0636 -148558.1826 301.2190 -183049.2462 -148458.4270 301.6560 -126.0856 -90.1230 559343.1548 8.0231 7.8795 PRESSURE: 2350200 145.929 54.7718 -90.9583 54.7725 12.657 41.2641 -90.9597 41.2642 -118.994 GPRESSURE: 2350200 177.492 113.424 -116.858 -71.9466 41.8392 128.834 -54.3088 45.1094 -83.4128 PRESSAVG: 2350200 -15.9545 34.7201 -0.152258 34.7202 6.81622 -9.85948 -0.152193 -9.8595 -5.95147 GPRESSAVG: 2350200 -16.6245 36.4668 -1.85344 33.6622 7.4862 -8.14815 2.54326 -14.7169 -5.9652 TIMING: 2350200 CPU: 7084.82, 0.00299525/step Wall: 7084.82, 0.00299525/step, 2.20467 hours remaining, 208.632812 MB of memory in use. ENERGY: 2350200 813.3594 2056.5689 1956.5111 117.4444 -205864.3876 17854.4143 0.0000 0.0000 34508.7556 -148557.3338 301.3735 -183066.0894 -148462.2651 301.1838 13.1974 45.3060 558296.9954 -5.0299 -5.0345 PRESSURE: 2350400 177.563 -16.5377 -114.926 -16.5383 -277.429 144.567 -114.927 144.568 134.942 GPRESSURE: 2350400 249.211 44.1532 -113.583 -137.623 -229.048 146.543 -69.4364 120.853 129.347 PRESSAVG: 2350400 0.246413 15.0526 16.5701 15.0526 -12.7044 27.1931 16.5701 27.1932 43.8757 GPRESSAVG: 2350400 1.6455 12.4994 17.5691 15.8807 -13.1333 28.0198 16.0063 26.3704 42.5411 TIMING: 2350400 CPU: 7085.42, 0.00298293/step Wall: 7085.42, 0.00298293/step, 2.19543 hours remaining, 208.632812 MB of memory in use. ENERGY: 2350400 744.6392 2114.5264 1906.5538 115.9098 -205692.1027 17730.6474 0.0000 0.0000 34301.0247 -148778.8013 299.5594 -183079.8261 -148677.1821 300.5140 11.6920 49.8369 558351.4866 10.4726 10.3511 PRESSURE: 2350600 -68.7134 177.04 -105.613 177.04 127.476 -79.284 -105.614 -79.2848 -181.566 GPRESSURE: 2350600 -47.2214 183.98 -32.6097 166.413 190.262 -39.8711 -177.443 -143.696 -166.489 PRESSAVG: 2350600 -28.5906 -47.6475 2.24485 -47.6475 1.68661 -24.1463 2.24489 -24.1463 -11.1796 GPRESSAVG: 2350600 -28.3687 -46.0909 1.52209 -47.039 -0.0673102 -25.0014 1.57195 -21.7789 -9.24352 TIMING: 2350600 CPU: 7086.01, 0.00298307/step Wall: 7086.01, 0.00298307/step, 2.19537 hours remaining, 208.632812 MB of memory in use. ENERGY: 2350600 786.2525 2087.7835 1934.6962 112.6119 -205947.3104 17893.5946 0.0000 0.0000 34456.9097 -148675.4621 300.9208 -183132.3718 -148583.4158 300.7581 -40.9346 -7.8162 558113.4439 -12.6945 -12.5598 PRESSURE: 2350800 -24.4011 302.315 -82.8253 302.314 -80.3682 -87.8697 -82.8258 -87.8698 -66.2639 GPRESSURE: 2350800 -13.6839 273.765 -131.574 205.894 -53.1987 -98.1592 -37.3031 -65.7102 -15.2707 PRESSAVG: 2350800 5.26108 2.13977 -15.8147 2.13971 -22.5828 -60.6637 -15.8147 -60.6636 47.5058 GPRESSAVG: 2350800 4.6479 -0.196958 -16.1743 0.78536 -21.4819 -61.5941 -14.6998 -59.7649 46.8278 TIMING: 2350800 CPU: 7086.61, 0.00299486/step Wall: 7086.61, 0.00299486/step, 2.20388 hours remaining, 208.632812 MB of memory in use. ENERGY: 2350800 746.8903 2167.7793 1929.2490 115.4059 -205882.5752 17728.9795 0.0000 0.0000 34407.3510 -148786.9202 300.4880 -183194.2712 -148689.4705 300.8245 -57.0111 -27.3844 557705.9190 10.0613 9.9979 PRESSURE: 2351000 12.9219 -48.2898 8.02227 -48.291 41.1938 23.9508 8.02157 23.9501 216.835 GPRESSURE: 2351000 53.4522 -26.773 57.3783 39.3217 99.5754 91.9496 -4.2798 -23.0407 232.386 PRESSAVG: 2351000 -60.9201 -9.86519 -36.8252 -9.86515 -28.4987 -9.25273 -36.8252 -9.25287 74.4462 GPRESSAVG: 2351000 -60.1379 -9.39125 -36.1139 -8.34507 -27.6036 -9.60251 -37.6325 -8.70362 73.1313 TIMING: 2351000 CPU: 7087.21, 0.00299727/step Wall: 7087.21, 0.00299727/step, 2.20549 hours remaining, 208.632812 MB of memory in use. ENERGY: 2351000 742.0670 2110.6330 1938.2330 110.7990 -205648.0394 17779.8180 0.0000 0.0000 34239.6167 -148726.8728 299.0231 -182966.4895 -148629.4559 300.5496 90.3168 128.4711 558460.4482 -4.9909 -4.8701 PRESSURE: 2351200 -178.973 89.3067 -3.46745 89.308 122.086 47.2032 -3.46578 47.2035 -51.7907 GPRESSURE: 2351200 -123.103 9.40565 21.4193 62.8841 173.238 55.5083 -90.6597 -23.3022 -52.5466 PRESSAVG: 2351200 0.451308 -19.124 28.7387 -19.124 -23.7922 -10.4999 28.7386 -10.4999 -12.0286 GPRESSAVG: 2351200 -0.353569 -17.5482 28.9249 -20.4555 -24.0709 -10.7934 28.7858 -10.6216 -10.3734 TIMING: 2351200 CPU: 7087.82, 0.00301118/step Wall: 7087.82, 0.00301118/step, 2.21556 hours remaining, 208.632812 MB of memory in use. ENERGY: 2351200 714.6169 2066.3217 1945.5953 111.6435 -205667.4298 17743.5127 0.0000 0.0000 34456.2856 -148629.4541 300.9153 -183085.7397 -148529.1868 300.6001 -36.2259 -0.8037 559271.8116 -11.7898 -11.5993 PRESSURE: 2351400 37.3691 96.8279 227.215 96.8266 26.6428 -135.25 227.215 -135.249 -198.924 GPRESSURE: 2351400 92.5401 37.9526 287.25 76.1528 86.384 -189.261 125.853 -90.6583 -215.599 PRESSAVG: 2351400 -8.8832 -0.448862 -14.7393 -0.448686 23.9663 -5.10972 -14.7393 -5.10984 21.2407 GPRESSAVG: 2351400 -8.97094 -1.17874 -13.7251 -0.0092163 24.3138 -4.00425 -13.6983 -4.25254 21.2869 TIMING: 2351400 CPU: 7088.42, 0.00300423/step Wall: 7088.42, 0.00300423/step, 2.21028 hours remaining, 208.632812 MB of memory in use. ENERGY: 2351400 735.8779 2079.7988 1939.4707 111.9677 -205692.8461 17678.5898 0.0000 0.0000 34421.0795 -148726.0616 300.6078 -183147.1411 -148628.6398 300.0678 -44.9706 -12.2249 558872.8927 12.1079 12.2099 PRESSURE: 2351600 25.7398 9.90496 -0.955928 9.90441 -1.22585 128.372 -0.955782 128.372 237.137 GPRESSURE: 2351600 77.6971 39.9026 0.685699 22.1092 10.453 118.991 -61.6726 66.8831 260.364 PRESSAVG: 2351600 53.117 1.43756 19.0427 1.43757 -13.4257 -28.0327 19.0426 -28.0328 1.13566 GPRESSAVG: 2351600 52.7554 2.50038 16.5166 1.34085 -13.7616 -29.3849 20.0234 -29.7197 1.47406 TIMING: 2351600 CPU: 7089.02, 0.0029955/step Wall: 7089.02, 0.0029955/step, 2.20369 hours remaining, 208.632812 MB of memory in use. ENERGY: 2351600 718.1163 2085.8649 1942.3308 103.2867 -205760.3078 17770.2033 0.0000 0.0000 34276.6840 -148863.8217 299.3468 -183140.5058 -148770.0459 300.7396 87.2169 116.1712 557663.8515 13.6090 13.4893 PRESSURE: 2351800 -117.126 -181.198 91.8903 -181.198 -332.063 -35.2185 91.8903 -35.2186 -195.786 GPRESSURE: 2351800 -94.4824 -227.206 49.9472 -247.417 -296.643 0.0876779 197.651 -68.5695 -150.721 PRESSAVG: 2351800 40.5987 -62.2179 49.7274 -62.2178 -80.9102 11.2814 49.7274 11.2816 58.6634 GPRESSAVG: 2351800 40.0626 -63.9786 51.1141 -62.5435 -79.8415 10.3899 47.6536 11.9958 58.2855 TIMING: 2351800 CPU: 7089.62, 0.00301362/step Wall: 7089.62, 0.00301362/step, 2.21685 hours remaining, 208.632812 MB of memory in use. ENERGY: 2351800 721.9931 2047.0168 1916.5220 124.4215 -205326.9761 17342.6270 0.0000 0.0000 34281.6415 -148892.7542 299.3901 -183174.3957 -148800.6434 299.9920 -214.9919 -180.6157 558389.6073 6.1173 6.1689 PRESSURE: 2352000 281.135 -4.51424 -44.3679 -4.51636 -1.20135 -23.909 -44.3674 -23.9096 -2.6706 GPRESSURE: 2352000 321.521 -11.2626 -16.5627 12.5596 55.1472 -27.8144 -10.4053 -1.86209 3.69913 PRESSAVG: 2352000 -14.023 21.5951 33.4418 21.595 -94.5504 -63.1876 33.4418 -63.1876 59.4127 GPRESSAVG: 2352000 -13.5959 22.1634 32.1947 20.7895 -95.2654 -61.7859 34.9477 -63.2253 60.1448 TIMING: 2352000 CPU: 7090.22, 0.00302829/step Wall: 7090.22, 0.00302829/step, 2.22748 hours remaining, 208.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2352000 739.4671 2034.3113 1954.7360 113.4518 -205929.9033 17819.8882 0.0000 0.0000 34407.0018 -148861.0471 300.4849 -183268.0489 -148759.3807 300.1607 92.4212 126.7891 558066.2537 -16.3869 -16.2388 PRESSURE: 2352200 170.95 -68.4626 85.2849 -68.4629 142.889 -51.8358 85.2859 -51.8352 33.803 GPRESSURE: 2352200 218.592 -68.0765 -0.229878 -116.637 162.691 -66.4608 183.975 -103.318 56.5443 PRESSAVG: 2352200 -25.376 -32.5585 -17.329 -32.5585 -26.4952 -51.2514 -17.3289 -51.2515 58.8225 GPRESSAVG: 2352200 -24.9432 -32.9537 -16.8088 -32.0955 -26.37 -51.4907 -16.7425 -51.1527 58.0158 TIMING: 2352200 CPU: 7090.83, 0.00304233/step Wall: 7090.83, 0.00304233/step, 2.23764 hours remaining, 208.632812 MB of memory in use. ENERGY: 2352200 716.4763 2067.6715 1933.1012 124.3617 -206001.3039 17848.3095 0.0000 0.0000 34477.7912 -148833.5926 301.1031 -183311.3837 -148739.7341 300.2672 115.8807 145.9426 558981.5338 2.3171 2.2342 LDB: ============= START OF LOAD BALANCING ============== 7094.36 LDB: ============== END OF LOAD BALANCING =============== 7094.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7094.36 LDB: ============= START OF LOAD BALANCING ============== 7094.66 LDB: Largest compute 4801 load 0.028493 is 24.1% of average load 0.118020 LDB: Average compute 0.001724 is 1.5% of average load 0.118020 LDB: TIME 7094.66 LOAD: AVG 0.11802 MAX 0.20803 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.684 MB LDB: TIME 7094.66 LOAD: AVG 0.11802 MAX 0.20803 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.688 MB LDB: TIME 7094.66 LOAD: AVG 0.11802 MAX 0.20803 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.688 MB LDB: ============== END OF LOAD BALANCING =============== 7094.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7094.67 PRESSURE: 2352400 64.1336 193.407 130.94 193.407 97.5919 -88.5709 130.942 -88.5687 489.075 GPRESSURE: 2352400 57.8924 297.739 60.9951 158.669 135.32 -21.0993 239.894 -144.661 560.171 PRESSAVG: 2352400 32.6352 50.2399 -14.9884 50.2399 -34.4851 -32.526 -14.9883 -32.5259 5.34732 GPRESSAVG: 2352400 32.6949 49.1606 -13.6511 50.9121 -34.1162 -32.6734 -15.8075 -33.243 4.71334 TIMING: 2352400 CPU: 7091.45, 0.00310568/step Wall: 7091.45, 0.00310568/step, 2.28406 hours remaining, 208.996094 MB of memory in use. ENERGY: 2352400 737.7534 2112.4028 1921.0827 117.6006 -205578.8134 17835.2222 0.0000 0.0000 34027.4075 -148827.3441 297.1698 -182854.7515 -148744.7170 300.8779 216.9335 251.1278 558485.3580 1.1658 1.0973 PRESSURE: 2352600 74.5672 -0.783423 69.6807 -0.782708 57.8767 141.193 69.6808 141.192 210.762 GPRESSURE: 2352600 136.484 -27.6392 183.32 5.60607 83.7431 13.2961 73.5702 169.578 221.173 PRESSAVG: 2352600 7.66531 26.5311 25.0799 26.5311 -67.7663 19.6713 25.0799 19.6712 101.69 GPRESSAVG: 2352600 6.70276 27.5937 25.7152 24.7676 -67.4781 18.5408 25.1575 21.2695 102.372 TIMING: 2352600 CPU: 7092.05, 0.0029994/step Wall: 7092.05, 0.0029994/step, 2.20573 hours remaining, 209.199219 MB of memory in use. ENERGY: 2352600 708.6893 2112.3095 1942.7128 93.6769 -206273.5313 17885.9326 0.0000 0.0000 34258.1250 -149272.0851 299.1847 -183530.2102 -149170.1040 299.2532 114.4019 147.1336 557982.2849 13.8629 13.8654 PRESSURE: 2352800 -23.7086 -211.245 -141.709 -211.245 212.428 -32.9548 -141.708 -32.9544 46.806 GPRESSURE: 2352800 93.0511 -110.339 -163.412 -176.419 233.218 -7.17647 -117.586 -53.432 21.4462 PRESSAVG: 2352800 69.0248 11.3043 18.6402 11.3043 -80.3397 -31.4641 18.6402 -31.4642 -11.0279 GPRESSAVG: 2352800 69.5469 11.656 15.805 12.9784 -80.2435 -30.6786 18.9027 -32.8203 -11.7444 TIMING: 2352800 CPU: 7092.65, 0.0029747/step Wall: 7092.65, 0.0029747/step, 2.18739 hours remaining, 209.472656 MB of memory in use. ENERGY: 2352800 736.9534 2111.1582 1916.9261 110.3814 -206023.6529 17801.8767 0.0000 0.0000 34148.3474 -149198.0098 298.2260 -183346.3572 -149104.2025 299.3824 78.5085 115.9052 556740.6532 -7.4476 -7.4803 PRESSURE: 2353000 283.327 -57.6116 -84.0628 -57.6122 -23.8688 231.487 -84.0617 231.485 11.765 GPRESSURE: 2353000 384.799 -91.4398 -64.0643 -44.9051 2.03155 230.5 -33.2678 208.702 -19.6603 PRESSAVG: 2353000 27.8585 15.9727 -25.9303 15.9728 3.61145 -21.4641 -25.9304 -21.4642 -38.7972 GPRESSAVG: 2353000 28.1695 14.9163 -23.372 14.9511 3.7353 -20.7358 -26.697 -21.8343 -39.4331 TIMING: 2353000 CPU: 7093.24, 0.0029577/step Wall: 7093.24, 0.0029577/step, 2.17473 hours remaining, 209.472656 MB of memory in use. ENERGY: 2353000 741.8653 2080.9012 1918.2449 129.7209 -206199.6081 18024.2705 0.0000 0.0000 34132.5114 -149172.0940 298.0877 -183304.6054 -149079.1254 299.0033 90.4077 122.3900 557750.6710 -2.4424 -2.5094 PRESSURE: 2353200 -100.358 75.0578 77.3536 75.059 -292.964 -14.6649 77.3534 -14.6641 21.6546 GPRESSURE: 2353200 -115.913 84.7408 132.414 34.3101 -267.828 17.1219 15.4882 -7.66094 108.542 PRESSAVG: 2353200 6.85525 -4.35517 -5.41727 -4.35505 24.7703 14.3538 -5.41732 14.3538 -12.7358 GPRESSAVG: 2353200 6.1951 -4.15555 -4.49891 -4.49633 23.3381 14.1651 -5.30311 15.6451 -10.9262 TIMING: 2353200 CPU: 7093.83, 0.00296281/step Wall: 7093.83, 0.00296281/step, 2.17833 hours remaining, 209.472656 MB of memory in use. ENERGY: 2353200 771.0115 2027.4258 1926.0810 109.5830 -205744.1539 17665.5430 0.0000 0.0000 34042.7982 -149201.7114 297.3042 -183244.5096 -149102.3694 299.8117 -123.8893 -91.7330 559167.2177 6.2966 6.2023 PRESSURE: 2353400 7.40916 -70.2793 149.829 -70.2776 -94.9941 109.339 149.828 109.34 60.0944 GPRESSURE: 2353400 118.115 -92.0715 157.188 -5.98823 -60.6624 43.7498 75.1768 117.322 14.1314 PRESSAVG: 2353400 30.0036 15.6839 72.9252 15.6839 40.635 -23.3965 72.9251 -23.3965 -54.6589 GPRESSAVG: 2353400 30.827 16.1598 71.1848 16.153 40.3089 -22.5867 72.8004 -23.8109 -55.8864 TIMING: 2353400 CPU: 7094.42, 0.00296223/step Wall: 7094.42, 0.00296223/step, 2.17773 hours remaining, 209.472656 MB of memory in use. ENERGY: 2353400 750.1001 2094.4783 1939.7129 105.2411 -206420.8748 17890.6709 0.0000 0.0000 34406.8533 -149233.8182 300.4836 -183640.6715 -149136.9522 299.2206 -9.1635 23.8612 556560.6730 5.3266 5.0832 PRESSURE: 2353600 -0.24219 -17.7316 55.2016 -17.7313 153.293 -22.4796 55.2006 -22.4793 -19.3995 GPRESSURE: 2353600 11.4667 11.8096 72.6691 -53.3783 188.394 -20.2656 42.0507 -61.9659 34.4092 PRESSAVG: 2353600 49.039 -14.1301 39.7577 -14.13 -38.3294 -31.0063 39.7576 -31.0062 3.8816 GPRESSAVG: 2353600 49.9007 -16.2316 39.3642 -13.238 -38.7681 -29.7751 38.6247 -31.564 3.83903 TIMING: 2353600 CPU: 7095.02, 0.00297332/step Wall: 7095.02, 0.00297332/step, 2.18572 hours remaining, 209.472656 MB of memory in use. ENERGY: 2353600 726.4258 2045.4161 1911.1309 112.1157 -206100.4226 17734.1459 0.0000 0.0000 34282.9393 -149288.2489 299.4014 -183571.1882 -149194.2064 299.2328 44.5506 78.0900 556379.2972 4.8637 4.9905 PRESSURE: 2353800 -8.5594 -99.1236 -100.032 -99.1244 -89.2222 -49.2939 -100.033 -49.2926 10.5242 GPRESSURE: 2353800 9.20706 -94.7395 23.4019 -139.196 -36.21 -3.09182 -74.3715 9.02426 40.3622 PRESSAVG: 2353800 -48.6223 6.44928 1.42647 6.4492 -32.1844 -1.26256 1.42644 -1.26253 56.174 GPRESSAVG: 2353800 -50.2234 8.61133 0.338611 5.17544 -31.4057 -3.138 3.25622 1.63083 56.7493 TIMING: 2353800 CPU: 7095.61, 0.00297715/step Wall: 7095.61, 0.00297715/step, 2.18837 hours remaining, 209.472656 MB of memory in use. ENERGY: 2353800 763.8792 2089.1538 1947.9480 122.4070 -206523.3606 17882.0651 0.0000 0.0000 34542.7655 -149175.1419 301.6706 -183717.9075 -149079.7808 299.8355 -29.0858 4.4531 556682.2639 -8.2109 -8.2933 PRESSURE: 2354000 -94.0886 3.13671 -6.63656 3.13816 70.9324 -1.21734 -6.63662 -1.21676 35.4452 GPRESSURE: 2354000 -48.1208 -78.7111 -31.0309 -20.391 62.7747 -100.796 157.859 -23.4844 95.4688 PRESSAVG: 2354000 68.8159 -30.378 2.3925 -30.3779 -51.2529 11.2396 2.39257 11.2396 -19.1711 GPRESSAVG: 2354000 69.2059 -30.0214 4.22675 -28.6978 -51.6623 10.3338 2.27134 10.5577 -19.6568 TIMING: 2354000 CPU: 7096.21, 0.00298077/step Wall: 7096.21, 0.00298077/step, 2.19087 hours remaining, 209.472656 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: 2354000 745.8648 2058.4994 1923.9110 118.4948 -206130.5315 17646.6100 0.0000 0.0000 34416.7739 -149220.3777 300.5702 -183637.1516 -149126.9756 299.6932 4.0963 36.7076 556187.5483 -0.5360 -0.7044 PRESSURE: 2354200 362.547 -192.608 40.3718 -192.61 -150.015 105.404 40.3718 105.404 -311.211 GPRESSURE: 2354200 382.455 -139.076 91.5114 -143.803 -122.135 71.5723 -28.2916 184.859 -255.897 PRESSAVG: 2354200 54.6072 9.90044 -10.6959 9.90039 -37.9629 -5.85183 -10.6959 -5.85171 -10.0555 GPRESSAVG: 2354200 54.1224 9.48531 -9.87121 10.2271 -37.1462 -4.97845 -12.6592 -6.46867 -10.0632 TIMING: 2354200 CPU: 7096.81, 0.00299863/step Wall: 7096.81, 0.00299863/step, 2.20383 hours remaining, 209.472656 MB of memory in use. ENERGY: 2354200 751.4573 2024.0761 1945.8261 111.5023 -206028.0490 17666.9976 0.0000 0.0000 34280.8856 -149247.3040 299.3835 -183528.1896 -149156.1351 299.5643 -32.8931 1.4743 556297.7915 2.1963 2.3043 PRESSURE: 2354400 -51.5443 -26.4913 -6.46975 -26.4904 128.028 15.149 -6.46949 15.1475 -40.0265 GPRESSURE: 2354400 20.369 105.671 -31.8253 -39.9805 167.775 23.1006 9.73877 4.79298 -42.2539 PRESSAVG: 2354400 49.3909 -3.64415 54.5312 -3.6441 -61.0787 6.70501 54.5313 6.70502 7.07075 GPRESSAVG: 2354400 50.3943 -2.83117 51.9824 -5.832 -61.282 7.17902 57.6017 5.81147 6.30614 TIMING: 2354400 CPU: 7097.41, 0.00298825/step Wall: 7097.41, 0.00298825/step, 2.19603 hours remaining, 209.472656 MB of memory in use. ENERGY: 2354400 729.4791 2117.2662 1972.1986 112.8125 -206189.2261 17887.7745 0.0000 0.0000 34168.6475 -149201.0478 298.4033 -183369.6953 -149109.3500 299.0371 12.1525 48.6300 557135.7205 -1.5390 -1.5272 PRESSURE: 2354600 7.18396 0.392144 -5.88323 0.392112 -138.973 44.1749 -5.88217 44.1762 -158.24 GPRESSURE: 2354600 66.5251 1.18547 -2.70133 -11.2036 -115.936 -16.8387 49.1561 53.6625 -140.09 PRESSAVG: 2354600 -15.4559 26 37.9117 26 -41.7227 15.1393 37.9117 15.1393 54.0457 GPRESSAVG: 2354600 -15.2196 23.9424 39.6078 26.4674 -42.6597 16.7504 37.1676 13.1645 54.4152 TIMING: 2354600 CPU: 7098.01, 0.00302965/step Wall: 7098.01, 0.00302965/step, 2.22629 hours remaining, 209.472656 MB of memory in use. ENERGY: 2354600 714.1410 2100.5233 1924.1854 125.9020 -206158.9344 17833.4400 0.0000 0.0000 34317.2276 -149143.5152 299.7009 -183460.7428 -149050.6341 299.6777 -96.6764 -63.1668 558125.1675 -1.0443 -1.1547 PRESSURE: 2354800 15.1106 -48.6839 142.276 -48.6849 -141.817 158.221 142.276 158.221 -67.6751 GPRESSURE: 2354800 3.40226 11.2801 254.037 -128.585 -108.386 99.2881 92.3943 142.254 3.59189 PRESSAVG: 2354800 7.5615 11.4282 67.0738 11.4283 65.35 -25.0572 67.0738 -25.0572 -73.2078 GPRESSAVG: 2354800 6.18468 12.1768 67.3543 11.0778 65.2766 -26.061 65.9308 -24.2477 -72.0899 TIMING: 2354800 CPU: 7098.62, 0.00302165/step Wall: 7098.62, 0.00302165/step, 2.22024 hours remaining, 209.472656 MB of memory in use. ENERGY: 2354800 789.6789 2043.5671 1906.4876 95.6652 -206248.1471 17846.3750 0.0000 0.0000 34284.4575 -149281.9159 299.4147 -183566.3734 -149190.4897 299.1825 -64.7939 -33.7972 557172.7661 -0.0988 -0.2095 PRESSURE: 2355000 -77.5354 -133.414 -97.951 -133.414 133.647 -55.6904 -97.9499 -55.6902 -203.65 GPRESSURE: 2355000 -68.0532 -129.98 -151.468 -149.504 193.364 -48.5769 -98.2202 -103.659 -170.718 PRESSAVG: 2355000 24.1097 -8.55186 10.4574 -8.55186 60.1131 15.5162 10.4573 15.5162 -68.5395 GPRESSAVG: 2355000 26.0666 -11.9481 10.6071 -6.63954 60.0779 15.5419 10.1279 16.9299 -70.5486 TIMING: 2355000 CPU: 7099.22, 0.00300583/step Wall: 7099.22, 0.00300583/step, 2.20845 hours remaining, 209.472656 MB of memory in use. ENERGY: 2355000 728.9234 2103.4513 1917.0635 89.9579 -206069.6475 17720.3538 0.0000 0.0000 34356.7094 -149153.1882 300.0457 -183509.8976 -149055.0101 299.6922 -49.1795 -15.1357 558530.8337 5.2278 5.1986 PRESSURE: 2355200 130.464 -71.005 -131.216 -71.0062 95.4687 -52.0701 -131.217 -52.068 144.367 GPRESSURE: 2355200 174.707 -44.8052 -115.061 -72.7859 125.047 -27.7755 -180.28 -70.7269 175.065 PRESSAVG: 2355200 25.2236 56.7844 -43.6227 56.7844 19.633 0.738091 -43.6228 0.737965 5.81237 GPRESSAVG: 2355200 24.096 58.0012 -42.9168 58.2509 20.3428 -0.181557 -42.9546 0.959943 5.9422 TIMING: 2355200 CPU: 7099.82, 0.0029898/step Wall: 7099.82, 0.0029898/step, 2.1965 hours remaining, 209.472656 MB of memory in use. ENERGY: 2355200 735.0741 2043.6827 1919.1080 116.5724 -206325.7126 17968.3711 0.0000 0.0000 34374.3560 -149168.5482 300.1998 -183542.9042 -149068.6485 299.4698 123.4332 158.2729 557393.1281 16.8897 16.7937 PRESSURE: 2355400 30.244 16.8754 84.4081 16.8755 -39.3118 -9.48906 84.4083 -9.48841 -127.261 GPRESSURE: 2355400 24.7745 -31.2547 123.789 75.655 -26.7056 -74.5704 27.8627 20.8086 -47.4561 PRESSAVG: 2355400 1.81799 1.85727 48.8602 1.85731 17.1325 11.5116 48.8602 11.5115 -17.0804 GPRESSAVG: 2355400 1.47609 2.33118 46.5177 0.121806 17.2779 10.1805 47.6688 11.7813 -17.4776 TIMING: 2355400 CPU: 7100.42, 0.00298772/step Wall: 7100.42, 0.00298772/step, 2.19482 hours remaining, 209.472656 MB of memory in use. ENERGY: 2355400 762.9146 2014.2596 1926.8695 111.7079 -205546.3120 17610.0125 0.0000 0.0000 34019.2555 -149101.2924 297.0986 -183120.5479 -149005.8268 299.4568 -45.4428 -16.4624 558768.4339 0.6233 0.4255 PRESSURE: 2355600 141.114 148.778 -2.74325 148.778 -14.1625 72.8035 -2.74477 72.8044 -203.269 GPRESSURE: 2355600 131.03 259.963 -113.104 87.1163 22.1713 34.4399 82.3128 152.144 -134.48 PRESSAVG: 2355600 -6.34521 23.5732 29.6905 23.5732 16.5969 41.1381 29.6904 41.1381 -24.3792 GPRESSAVG: 2355600 -6.64784 23.4487 29.7567 23.4887 16.0559 41.8771 31.3267 39.9583 -23.5804 TIMING: 2355600 CPU: 7101.01, 0.00299775/step Wall: 7101.01, 0.00299775/step, 2.20201 hours remaining, 209.472656 MB of memory in use. ENERGY: 2355600 742.7132 2001.0244 1926.6547 100.7156 -206183.1748 17846.8052 0.0000 0.0000 34606.2272 -148959.0346 302.2248 -183565.2618 -148858.7319 299.3224 -25.4391 6.2405 559805.2955 -4.7092 -4.7241 PRESSURE: 2355800 -145.975 -102.11 -28.8652 -102.11 134.272 87.4384 -28.8658 87.4385 259.365 GPRESSURE: 2355800 -58.3763 9.04793 7.5652 -96.1484 158.313 3.89654 -60.9705 160.651 257.517 PRESSAVG: 2355800 3.75094 102.738 -14.9505 102.738 3.88746 14.4441 -14.9505 14.4441 -21.1135 GPRESSAVG: 2355800 4.47457 103.277 -14.5764 101.106 2.80134 15.8051 -16.9909 13.5228 -20.791 TIMING: 2355800 CPU: 7101.62, 0.0030091/step Wall: 7101.62, 0.0030091/step, 2.21019 hours remaining, 209.472656 MB of memory in use. ENERGY: 2355800 785.4963 2109.1138 1931.5608 116.5264 -205911.6291 17920.8863 0.0000 0.0000 34327.9122 -148720.1332 299.7942 -183048.0454 -148626.3874 300.3157 82.5539 119.1514 558622.7120 -4.4917 -4.5050 PRESSURE: 2356000 -136.792 -81.3396 55.0192 -81.3409 59.875 -9.91681 55.0191 -9.91586 182.284 GPRESSURE: 2356000 -127.228 -60.0343 176.554 -120.351 131.3 125.173 -21.1829 -83.4214 198.903 PRESSAVG: 2356000 -8.6928 38.1155 27.2221 38.1154 -12.4576 -19.2343 27.2221 -19.2345 80.7584 GPRESSAVG: 2356000 -9.24126 37.4542 29.178 39.0665 -12.4258 -20.2721 27.7122 -18.375 81.5808 TIMING: 2356000 CPU: 7102.22, 0.00303008/step Wall: 7102.22, 0.00303008/step, 2.22542 hours remaining, 209.472656 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: 2356000 750.4394 2034.3077 1945.1170 108.7381 -206001.3051 17822.2417 0.0000 0.0000 34556.0582 -148784.4030 301.7867 -183340.4612 -148682.5703 300.5990 35.1224 67.6579 558148.6215 19.8693 19.9713 PRESSURE: 2356200 102.394 -149.045 -153.123 -149.046 -165.133 76.401 -153.123 76.4012 151.803 GPRESSURE: 2356200 103.56 -109.713 -74.274 -174.693 -98.4167 98.506 -176.612 105.243 187.874 PRESSAVG: 2356200 6.89976 49.3895 12.5612 49.3895 -57.8147 -36.9395 12.5611 -36.9396 51.0101 GPRESSAVG: 2356200 8.03253 49.7454 12.5288 47.725 -58.3084 -37.2267 10.9746 -35.8978 49.9745 TIMING: 2356200 CPU: 7102.83, 0.00301431/step Wall: 7102.83, 0.00301431/step, 2.21367 hours remaining, 209.472656 MB of memory in use. ENERGY: 2356200 730.5434 2141.5889 1923.8846 114.5224 -206147.8396 17764.2649 0.0000 0.0000 34662.7193 -148810.3162 302.7181 -183473.0354 -148712.2132 300.6001 29.6881 64.3393 558589.4937 0.0317 -0.1005 LDB: ============= START OF LOAD BALANCING ============== 7106.34 LDB: ============== END OF LOAD BALANCING =============== 7106.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7106.35 LDB: ============= START OF LOAD BALANCING ============== 7106.65 LDB: Largest compute 4801 load 0.029443 is 24.9% of average load 0.118079 LDB: Average compute 0.001728 is 1.5% of average load 0.118079 LDB: TIME 7106.65 LOAD: AVG 0.118079 MAX 0.206988 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.43 MB LDB: TIME 7106.65 LOAD: AVG 0.118079 MAX 0.206988 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.633 MB LDB: TIME 7106.65 LOAD: AVG 0.118079 MAX 0.206988 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.633 MB LDB: ============== END OF LOAD BALANCING =============== 7106.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7106.66 PRESSURE: 2356400 48.6983 26.3349 -114.204 26.3351 -490.613 136.546 -114.202 136.546 59.5889 GPRESSURE: 2356400 45.9204 47.1969 -178.865 -2.09724 -420.29 87.1375 -86.1888 66.6752 94.7405 PRESSAVG: 2356400 12.0923 0.56739 10.353 0.567372 -12.0141 -27.5891 10.3531 -27.5891 42.5562 GPRESSAVG: 2356400 11.3969 1.7834 9.7223 3.47626 -9.83403 -26.3305 12.1276 -29.1864 41.2591 TIMING: 2356400 CPU: 7103.44, 0.00308296/step Wall: 7103.44, 0.00308296/step, 2.26392 hours remaining, 210.230469 MB of memory in use. ENERGY: 2356400 776.3936 2126.2682 1939.1618 103.9289 -205681.3253 17523.3764 0.0000 0.0000 34370.8502 -148841.3462 300.1692 -183212.1963 -148746.5388 300.2823 -127.4418 -93.2098 558533.9771 14.2114 14.2740 PRESSURE: 2356600 259.231 77.0404 116.19 77.0405 -117.024 54.8186 116.19 54.818 305.498 GPRESSURE: 2356600 351.474 46.8321 159.486 79.7517 -62.9653 37.3855 78.3338 122.797 247.401 PRESSAVG: 2356600 -7.53258 33.6434 -38.3938 33.6434 -3.85867 11.0518 -38.3938 11.0517 -3.17473 GPRESSAVG: 2356600 -8.11299 32.5498 -38.1531 33.9657 -4.0838 10.0562 -38.3899 14.3429 -2.49796 TIMING: 2356600 CPU: 7104.04, 0.00301304/step Wall: 7104.04, 0.00301304/step, 2.21241 hours remaining, 210.445312 MB of memory in use. ENERGY: 2356600 737.7212 2070.2987 1911.4661 125.6633 -206316.8400 18037.2760 0.0000 0.0000 34552.5753 -148881.8394 301.7562 -183434.4146 -148780.7426 300.2215 149.2350 178.6365 559194.1337 -4.8553 -4.8983 PRESSURE: 2356800 -140.892 -10.9127 -0.394593 -10.9128 -121.138 -49.6528 -0.394202 -49.6524 58.3409 GPRESSURE: 2356800 -166.818 -19.9675 -29.8755 7.13907 -77.2374 -67.462 43.8465 -20.5144 128.771 PRESSAVG: 2356800 33.2697 20.7698 -11.3055 20.7697 -33.6947 -18.4697 -11.3056 -18.4696 -16.4211 GPRESSAVG: 2356800 32.8725 20.096 -12.4557 20.0976 -33.2741 -18.5844 -8.1931 -20.6604 -16.5942 TIMING: 2356800 CPU: 7104.64, 0.00298753/step Wall: 7104.64, 0.00298753/step, 2.19351 hours remaining, 210.445312 MB of memory in use. ENERGY: 2356800 733.8808 2043.9066 1940.8051 119.9568 -205828.5878 17726.9418 0.0000 0.0000 34199.0994 -149063.9973 298.6692 -183263.0967 -148971.3339 299.5495 -67.8963 -38.4282 560251.5124 -5.6154 -5.6653 PRESSURE: 2357000 -89.5711 -3.92275 -206.996 -3.92217 -32.0631 -23.3345 -206.995 -23.3348 -295.756 GPRESSURE: 2357000 -78.3499 40.2076 -238.31 9.65749 -5.41604 -4.50406 -169.326 -69.9859 -236.214 PRESSAVG: 2357000 -70.4896 -11.9355 -27.9782 -11.9355 52.4313 -42.7208 -27.9782 -42.7208 -22.203 GPRESSAVG: 2357000 -70.0654 -13.1837 -29.2182 -12.0341 52.4144 -43.5877 -30.0453 -41.8382 -21.8565 TIMING: 2357000 CPU: 7105.24, 0.00300191/step Wall: 7105.24, 0.00300191/step, 2.2039 hours remaining, 210.445312 MB of memory in use. ENERGY: 2357000 774.7652 2060.1818 1913.6659 103.0829 -206318.0435 17834.7456 0.0000 0.0000 34368.6349 -149262.9672 300.1498 -183631.6021 -149167.6219 299.2057 -139.1300 -106.6599 559101.4062 -13.4204 -13.1692 PRESSURE: 2357200 94.7281 -69.5009 45.4481 -69.5019 347.287 39.7176 45.4474 39.7183 5.01493 GPRESSURE: 2357200 154.804 -57.3414 16.5201 -89.4514 333.572 35.2799 75.9042 50.4966 58.254 PRESSAVG: 2357200 -32.9481 -31.9554 -6.70231 -31.9554 69.9611 23.8548 -6.70236 23.8546 -27.2571 GPRESSAVG: 2357200 -32.3173 -29.9066 -7.34056 -31.5434 69.2972 23.5427 -6.12675 22.4895 -27.4821 TIMING: 2357200 CPU: 7105.84, 0.00300787/step Wall: 7105.84, 0.00300787/step, 2.20811 hours remaining, 210.445312 MB of memory in use. ENERGY: 2357200 705.5583 2041.5307 1942.7293 113.8266 -206656.9277 18131.2189 0.0000 0.0000 34346.9368 -149375.1272 299.9603 -183722.0640 -149287.0321 299.2207 149.0100 182.2098 557322.2287 3.2519 3.1659 PRESSURE: 2357400 -94.8518 -180.191 -88.3513 -180.191 -25.6727 -120.812 -88.352 -120.812 227.162 GPRESSURE: 2357400 -32.4429 -134.423 -20.8582 -171.948 44.1718 -122.472 -101.662 -74.4344 194.321 PRESSAVG: 2357400 -69.6271 -31.0969 -14.4795 -31.0968 114.962 25.3764 -14.4795 25.3764 2.54011 GPRESSAVG: 2357400 -69.1731 -30.6964 -13.5506 -31.0877 114.948 26.5588 -14.7077 25.5188 2.20403 TIMING: 2357400 CPU: 7106.45, 0.00301321/step Wall: 7106.45, 0.00301321/step, 2.21186 hours remaining, 210.445312 MB of memory in use. ENERGY: 2357400 752.5388 2062.8143 1919.3146 119.1530 -206173.8384 17835.4068 0.0000 0.0000 34096.0463 -149388.5645 297.7693 -183484.6108 -149291.7640 299.4194 35.5459 68.6833 556697.9520 15.9585 15.9929 PRESSURE: 2357600 -47.4105 -6.61216 4.16164 -6.61149 -164.725 142.115 4.16129 142.117 -135.341 GPRESSURE: 2357600 -59.7265 -51.2052 35.7134 -41.276 -98.2087 280.738 5.70386 78.2642 -90.2334 PRESSAVG: 2357600 15.7215 -45.0161 47.7664 -45.0161 -8.46145 1.28309 47.7664 1.28311 -0.545632 GPRESSAVG: 2357600 14.5247 -45.5215 50.4487 -47.8926 -8.24742 1.15492 47.356 1.70545 0.0640906 TIMING: 2357600 CPU: 7107.05, 0.00303086/step Wall: 7107.05, 0.00303086/step, 2.22465 hours remaining, 210.445312 MB of memory in use. ENERGY: 2357600 755.1936 2106.8866 1914.3467 115.4846 -206097.3012 17629.5132 0.0000 0.0000 34023.7317 -149552.1447 297.1377 -183575.8765 -149465.9966 298.5914 -115.8253 -82.7229 556229.2295 2.2381 2.1138 PRESSURE: 2357800 -278.806 21.304 161.733 21.3031 65.5093 52.2675 161.734 52.2676 -274.73 GPRESSURE: 2357800 -209.073 72.5919 61.2654 -40.2098 97.1188 76.7589 172.312 99.7236 -287.3 PRESSAVG: 2357800 -10.7683 -36.2304 15.6527 -36.2304 29.1472 -16.567 15.6527 -16.567 22.7871 GPRESSAVG: 2357800 -10.8858 -35.3167 13.6653 -35.3383 29.4593 -16.4292 15.6933 -16.5361 22.8876 TIMING: 2357800 CPU: 7107.66, 0.00303649/step Wall: 7107.66, 0.00303649/step, 2.22862 hours remaining, 210.445312 MB of memory in use. ENERGY: 2357800 757.0956 2112.8506 1930.9601 119.8315 -206098.1725 17623.2908 0.0000 0.0000 34070.1260 -149484.0179 297.5429 -183554.1439 -149384.6617 298.4358 -162.6755 -133.0848 556524.0036 13.7220 13.8204 PRESSURE: 2358000 -87.725 -104.705 171.472 -104.704 -165.07 105.12 171.471 105.12 122.773 GPRESSURE: 2358000 -58.4382 -78.6237 173.779 -7.59002 -122.116 171.497 236.687 52.437 143.633 PRESSAVG: 2358000 -32.9686 3.31404 69.4059 3.31401 -27.6422 31.7619 69.406 31.7619 18.8951 GPRESSAVG: 2358000 -34.0322 1.77307 70.479 3.53008 -27.1787 32.1459 68.3492 30.7564 19.2595 TIMING: 2358000 CPU: 7108.26, 0.00300583/step Wall: 7108.26, 0.00300583/step, 2.20594 hours remaining, 210.445312 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: 2358000 746.3113 2064.8828 1947.2745 105.7038 -206217.4623 17614.4105 0.0000 0.0000 34375.3762 -149363.5031 300.2087 -183738.8793 -149264.4022 298.9512 -43.3408 -12.3071 556042.4007 -13.9052 -13.9838 PRESSURE: 2358200 -65.8351 -12.0333 162.663 -12.0332 -299.62 -27.7745 162.662 -27.7732 163.537 GPRESSURE: 2358200 13.1262 -94.1123 149.287 8.10663 -274.996 -17.2239 211.067 -20.2121 163.216 PRESSAVG: 2358200 67.1269 -42.5203 60.3514 -42.5203 -117.449 17.5965 60.3514 17.5966 66.1344 GPRESSAVG: 2358200 69.5267 -42.2739 58.0652 -42.1728 -119.012 16.0239 61.2694 19.38 65.82 TIMING: 2358200 CPU: 7108.87, 0.00301839/step Wall: 7108.87, 0.00301839/step, 2.215 hours remaining, 210.445312 MB of memory in use. ENERGY: 2358200 756.1218 2052.4539 1916.3081 113.8402 -206122.2007 17694.1315 0.0000 0.0000 34355.8063 -149233.5389 300.0378 -183589.3452 -149139.0507 299.4410 -67.3061 -32.8845 557128.5835 5.2708 5.4450 PRESSURE: 2358400 136.276 62.3908 111.018 62.39 271.079 85.1356 111.017 85.135 -373.81 GPRESSURE: 2358400 186.861 85.9243 105.473 52.7564 267.849 85.4603 116.578 -47.1065 -321.264 PRESSAVG: 2358400 14.4727 -8.19557 31.316 -8.19563 3.00922 21.9425 31.3159 21.9425 -37.4668 GPRESSAVG: 2358400 14.1085 -10.4175 32.373 -6.9953 3.41882 21.84 31.75 20.9311 -37.8575 TIMING: 2358400 CPU: 7109.46, 0.00299411/step Wall: 7109.46, 0.00299411/step, 2.19701 hours remaining, 210.445312 MB of memory in use. ENERGY: 2358400 764.3760 2068.3872 1903.4317 109.9227 -205998.7163 17806.1078 0.0000 0.0000 34179.0235 -149167.4674 298.4939 -183346.4909 -149073.7317 299.3751 11.1817 44.4818 557036.3298 -6.6616 -6.7767 PRESSURE: 2358600 -215.412 -114.007 -57.3213 -114.006 -230.74 -27.5711 -57.3226 -27.5723 -65.7504 GPRESSURE: 2358600 -197.672 -141.49 -68.771 -44.3095 -223.628 9.23933 -93.3651 7.44589 0.0512452 PRESSAVG: 2358600 49.6911 9.45218 52.5952 9.45216 -10.4344 24.9213 52.5952 24.9213 -36.8194 GPRESSAVG: 2358600 48.4148 10.9252 53.6205 9.03534 -9.99699 27.4421 51.8865 24.1492 -35.6191 TIMING: 2358600 CPU: 7110.06, 0.00296981/step Wall: 7110.06, 0.00296981/step, 2.17902 hours remaining, 210.445312 MB of memory in use. ENERGY: 2358600 688.4594 2090.5538 1936.4532 106.8123 -205824.8650 17509.3769 0.0000 0.0000 34323.8845 -149169.3251 299.7590 -183493.2096 -149080.3104 299.8126 -170.6343 -140.4165 557477.0200 0.8124 0.9329 PRESSURE: 2358800 -43.5347 239.61 49.0042 239.611 -31.1654 -104.868 49.0026 -104.868 -160.746 GPRESSURE: 2358800 36.339 251.385 111.255 231.344 -25.149 -91.5804 100.638 -76.6959 -160.564 PRESSAVG: 2358800 55.5167 8.67471 47.8907 8.6748 14.0729 -27.4627 47.8906 -27.4627 -27.3917 GPRESSAVG: 2358800 55.3809 9.69297 46.6855 9.03456 13.361 -29.6014 47.6066 -26.055 -27.3137 TIMING: 2358800 CPU: 7110.65, 0.00297795/step Wall: 7110.65, 0.00297795/step, 2.18482 hours remaining, 210.445312 MB of memory in use. ENERGY: 2358800 772.7050 2077.6623 1947.2219 109.1994 -205983.9440 17691.6574 0.0000 0.0000 34292.7455 -149092.7525 299.4871 -183385.4980 -148998.8852 299.3987 -78.4821 -49.7913 556390.7331 14.0660 13.8094 PRESSURE: 2359000 -118.54 -49.4942 125.798 -49.4944 103.913 -99.9581 125.797 -99.9572 -92.8947 GPRESSURE: 2359000 -120.166 -26.7129 18.8493 -23.3821 147.937 -138.66 192.833 -114.267 -23.2234 PRESSAVG: 2359000 -2.31606 14.6215 58.8359 14.6215 51.0161 31.7083 58.8359 31.7082 -41.4397 GPRESSAVG: 2359000 -1.68274 14.8593 60.1047 15.8064 51.121 33.4527 57.2556 29.1567 -42.126 TIMING: 2359000 CPU: 7111.25, 0.00299056/step Wall: 7111.25, 0.00299056/step, 2.19391 hours remaining, 210.445312 MB of memory in use. ENERGY: 2359000 772.2332 2101.0800 1935.2514 120.8334 -205787.4986 17640.3883 0.0000 0.0000 34277.3136 -148940.3988 299.3523 -183217.7124 -148850.0776 300.1627 -35.8405 1.5159 557460.2544 2.4201 2.4374 PRESSURE: 2359200 -377.661 107.866 -126.622 107.867 -92.4157 384.467 -126.623 384.467 -113.958 GPRESSURE: 2359200 -352.243 14.6758 -47.9856 130.714 -93.4247 345.142 -167.587 345.499 -42.8313 PRESSAVG: 2359200 -30.7129 43.9136 -5.03684 43.9136 0.267862 -12.4747 -5.03686 -12.4745 -19.227 GPRESSAVG: 2359200 -30.4503 43.3758 -5.06488 44.6154 -1.54284 -12.9248 -3.39435 -11.2232 -17.6804 TIMING: 2359200 CPU: 7111.85, 0.00298034/step Wall: 7111.85, 0.00298034/step, 2.18624 hours remaining, 210.445312 MB of memory in use. ENERGY: 2359200 752.5705 2093.0718 1942.9449 122.9233 -205862.3109 17553.3390 0.0000 0.0000 34318.8661 -149078.5953 299.7152 -183397.4614 -148978.9375 300.2567 -194.6783 -162.8330 558034.2438 -16.5573 -16.5579 PRESSURE: 2359400 226.717 57.0036 67.4164 57.0034 -40.665 -321.2 67.4168 -321.199 142.182 GPRESSURE: 2359400 201.339 82.7128 88.9692 93.7641 19.1328 -287.862 49.5455 -293.176 211.63 PRESSAVG: 2359400 -1.5069 81.7801 50.8574 81.78 -8.22447 15.7451 50.8574 15.7452 10.1201 GPRESSAVG: 2359400 -1.07119 79.9142 46.9456 80.2446 -7.10974 15.3702 54.0938 15.9595 8.63019 TIMING: 2359400 CPU: 7112.45, 0.0029977/step Wall: 7112.45, 0.0029977/step, 2.19881 hours remaining, 210.445312 MB of memory in use. ENERGY: 2359400 734.7604 2120.9194 1919.4119 116.4409 -206205.3095 17920.1983 0.0000 0.0000 34249.2344 -149144.3443 299.1071 -183393.5786 -149054.2561 299.7303 109.4112 144.0341 557017.3960 0.1296 0.1498 PRESSURE: 2359600 -200.726 -7.76458 41.7219 -7.76449 -68.2239 169.041 41.7219 169.042 -20.068 GPRESSURE: 2359600 -115.763 -3.76962 -5.16201 0.802866 -49.7835 232.94 17.4051 152.132 -14.3473 PRESSAVG: 2359600 -63.0281 49.1959 -10.0199 49.1959 6.72291 26.7707 -10.02 26.7705 52.6581 GPRESSAVG: 2359600 -62.3498 52.4428 -8.9531 48.022 5.73533 28.1284 -12.3867 23.9484 52.4372 TIMING: 2359600 CPU: 7113.05, 0.00300501/step Wall: 7113.05, 0.00300501/step, 2.20401 hours remaining, 210.445312 MB of memory in use. ENERGY: 2359600 736.4811 2104.4755 1946.1602 108.2530 -205613.5252 17497.5766 0.0000 0.0000 34335.1840 -148885.3946 299.8577 -183220.5786 -148792.8212 299.6320 -96.3393 -59.9647 557809.0423 -1.2157 -1.3924 PRESSURE: 2359800 -237.397 -24.3057 -206.637 -24.305 -263.859 -55.0177 -206.638 -55.0176 -51.6278 GPRESSURE: 2359800 -199.516 -80.3996 -176.472 97.7254 -256.671 -17.0049 -167.953 -18.5804 16.4096 PRESSAVG: 2359800 -33.1439 55.5065 -73.6756 55.5066 -12.7957 25.8809 -73.6758 25.8809 49.7686 GPRESSAVG: 2359800 -35.9954 54.465 -71.3909 57.2604 -11.2217 22.1788 -77.3987 29.4298 50.3701 TIMING: 2359800 CPU: 7113.65, 0.00300115/step Wall: 7113.65, 0.00300115/step, 2.20101 hours remaining, 210.445312 MB of memory in use. ENERGY: 2359800 750.5917 2113.6903 1950.0473 104.0382 -205848.7839 17516.5742 0.0000 0.0000 34261.6265 -149152.2158 299.2153 -183413.8422 -149060.7981 298.7859 -184.2944 -146.5926 558409.1199 1.2764 1.0510 PRESSURE: 2360000 -545.468 51.3039 -103.905 51.3037 -129.476 80.3448 -103.904 80.3432 -84.8843 GPRESSURE: 2360000 -508.247 97.6312 -203.219 48.0187 -92.9988 93.9019 0.0758297 60.8681 -61.6022 PRESSAVG: 2360000 -61.2895 13.1464 -91.7009 13.1463 12.7282 9.43994 -91.7009 9.43991 34.0856 GPRESSAVG: 2360000 -60.7678 11.2769 -94.0406 12.8807 12.24 12.437 -87.7713 8.08843 33.7825 TIMING: 2360000 CPU: 7114.25, 0.00300815/step Wall: 7114.25, 0.00300815/step, 2.20598 hours remaining, 210.445312 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: 2360000 754.9271 2087.7980 1935.6276 115.9929 -205704.3428 17470.2593 0.0000 0.0000 34332.1037 -149007.6343 299.8308 -183339.7380 -148916.7825 299.2434 -253.2760 -220.9495 558821.4378 -4.8253 -4.9151 PRESSURE: 2360200 125.295 3.03095 -103.822 3.03186 36.3616 136.476 -103.824 136.475 272.683 GPRESSURE: 2360200 140.779 -77.2508 -140.808 65.5386 115.363 169.947 -78.9548 144.963 279.751 PRESSAVG: 2360200 26.8961 0.362296 -18.9372 0.362402 15.4577 8.62824 -18.9372 8.62817 -37.6352 GPRESSAVG: 2360200 26.5303 1.14149 -17.7722 0.322474 15.8565 9.05931 -19.9733 9.13444 -37.4887 TIMING: 2360200 CPU: 7114.85, 0.00299955/step Wall: 7114.85, 0.00299955/step, 2.1995 hours remaining, 210.445312 MB of memory in use. ENERGY: 2360200 695.8500 2095.0433 1926.0523 110.5201 -206267.2974 17968.1360 0.0000 0.0000 34561.9838 -148909.7119 301.8384 -183471.6957 -148809.1206 300.0244 144.7799 178.6308 556723.8194 1.5729 1.6327 LDB: ============= START OF LOAD BALANCING ============== 7118.37 LDB: ============== END OF LOAD BALANCING =============== 7118.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7118.37 LDB: ============= START OF LOAD BALANCING ============== 7118.67 LDB: Largest compute 4801 load 0.030211 is 25.6% of average load 0.117996 LDB: Average compute 0.001730 is 1.5% of average load 0.117996 LDB: TIME 7118.67 LOAD: AVG 0.117996 MAX 0.206182 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.43 MB LDB: TIME 7118.67 LOAD: AVG 0.117996 MAX 0.206182 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.637 MB LDB: TIME 7118.67 LOAD: AVG 0.117996 MAX 0.206182 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.637 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7118.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7118.67 PRESSURE: 2360400 -167.182 -48.0191 -66.1936 -48.0184 -235.025 -8.87611 -66.1933 -8.87527 -138.288 GPRESSURE: 2360400 -71.4903 -147.978 -24.1119 37.8839 -207.651 -28.2295 -61.5547 42.9378 -160.687 PRESSAVG: 2360400 3.44102 15.4154 -44.7503 15.4153 3.323 58.1766 -44.7503 58.1766 48.3842 GPRESSAVG: 2360400 4.55482 15.322 -45.2922 14.4106 2.50603 56.2376 -43.944 59.1559 47.5954 TIMING: 2360400 CPU: 7115.46, 0.0030393/step Wall: 7115.46, 0.0030393/step, 2.22848 hours remaining, 209.457031 MB of memory in use. ENERGY: 2360400 783.5166 2072.1437 1923.0030 106.8926 -205735.6924 17597.2428 0.0000 0.0000 34242.5265 -149010.3672 299.0485 -183252.8937 -148922.8477 300.1489 -180.1652 -146.6095 558115.5518 18.3827 18.2188 PRESSURE: 2360600 -74.6822 -98.7637 63.806 -98.7646 -208.648 7.87809 63.8065 7.87709 -222.096 GPRESSURE: 2360600 -28.5131 -83.13 70.1084 -169.61 -136.632 -41.9035 -7.89409 -8.20643 -243.475 PRESSAVG: 2360600 40.0247 -43.8719 -95.3588 -43.8718 -31.4582 29.5878 -95.3589 29.5878 17.7653 GPRESSAVG: 2360600 40.2928 -43.6054 -95.953 -43.7808 -30.6872 29.7153 -96.5991 28.7658 17.1729 TIMING: 2360600 CPU: 7116.06, 0.00300247/step Wall: 7116.06, 0.00300247/step, 2.20131 hours remaining, 209.457031 MB of memory in use. ENERGY: 2360600 737.5361 2068.1146 1962.0159 118.9187 -205905.0787 17706.3499 0.0000 0.0000 34213.8621 -149098.2814 298.7982 -183312.1435 -149010.5368 299.8538 -168.4753 -136.2067 559161.4615 8.7773 8.9262 PRESSURE: 2360800 375.93 72.0795 -97.5305 72.0791 176.279 -54.3226 -97.5301 -54.3226 199.629 GPRESSURE: 2360800 435.631 129.205 -114.249 -20.4515 224.486 -45.2738 -113.466 -77.6788 181.328 PRESSAVG: 2360800 105.474 -34.9873 9.34766 -34.9873 -8.63627 51.448 9.34772 51.448 -58.4081 GPRESSAVG: 2360800 105.067 -33.4012 8.77058 -35.4045 -8.78296 52.9913 9.41502 49.0938 -58.2004 TIMING: 2360800 CPU: 7116.65, 0.00298168/step Wall: 7116.65, 0.00298168/step, 2.1859 hours remaining, 209.457031 MB of memory in use. ENERGY: 2360800 717.8458 2099.3438 1896.7129 104.5696 -206185.4120 17938.3936 0.0000 0.0000 34421.3949 -149007.1515 300.6106 -183428.5464 -148918.8381 300.0159 250.6126 280.4815 556673.6351 12.8100 12.6945 PRESSURE: 2361000 -65.6174 -13.7329 -144.644 -13.7329 77.7014 147.946 -144.643 147.946 10.3884 GPRESSURE: 2361000 -37.6243 19.9601 -68.9788 -65.1121 164.091 188.844 -189.201 131.036 -1.96931 PRESSAVG: 2361000 49.7751 2.10966 -43.3964 2.10974 -3.39629 32.4203 -43.3963 32.4202 -24.7771 GPRESSAVG: 2361000 49.387 2.13018 -41.4275 0.451425 -3.49201 29.3966 -44.2031 35.6855 -24.3986 TIMING: 2361000 CPU: 7117.25, 0.00297577/step Wall: 7117.25, 0.00297577/step, 2.18141 hours remaining, 209.457031 MB of memory in use. ENERGY: 2361000 733.9118 2080.8354 1923.0420 101.2316 -206094.1595 17906.0231 0.0000 0.0000 34329.6100 -149019.5055 299.8090 -183349.1155 -148925.4900 299.8203 7.4908 41.4991 557960.4065 7.2006 7.1655 PRESSURE: 2361200 61.6581 -71.322 38.4906 -71.3215 147.536 61.525 38.4903 61.5248 -274.27 GPRESSURE: 2361200 38.1411 -147.048 -13.5377 -27.8142 163.724 -6.72113 138.137 40.1515 -171.258 PRESSAVG: 2361200 -22.1017 -58.4241 -22.3341 -58.4242 39.5097 2.35045 -22.3342 2.35048 -19.0424 GPRESSAVG: 2361200 -22.0275 -59.2889 -24.313 -56.6619 39.3948 2.53744 -20.4851 2.44832 -19.3531 TIMING: 2361200 CPU: 7117.84, 0.00297521/step Wall: 7117.84, 0.00297521/step, 2.18083 hours remaining, 209.457031 MB of memory in use. ENERGY: 2361200 702.8666 2062.4771 1946.4439 131.4209 -205847.7376 17652.0031 0.0000 0.0000 34307.1638 -149045.3622 299.6130 -183352.5260 -148955.7034 299.5595 -21.6919 10.2022 558662.5604 -0.5448 -0.6619 PRESSURE: 2361400 288.588 35.4929 34.4155 35.4929 107.204 5.51824 34.4161 5.51755 281.679 GPRESSURE: 2361400 309.015 -30.4429 7.3273 55.1093 169.505 22.2983 100.174 35.4529 292.111 PRESSAVG: 2361400 7.87446 -0.580786 4.13936 -0.580724 16.9371 -31.921 4.13943 -31.921 16.5128 GPRESSAVG: 2361400 8.2121 -2.72838 5.1336 -0.324994 17.3185 -31.5168 2.40071 -32.1752 16.5757 TIMING: 2361400 CPU: 7118.44, 0.00298173/step Wall: 7118.44, 0.00298173/step, 2.18544 hours remaining, 209.457031 MB of memory in use. ENERGY: 2361400 747.1345 2044.3809 1916.0733 104.9984 -206559.6303 18284.8292 0.0000 0.0000 34489.6369 -148972.5770 301.2066 -183462.2139 -148874.8042 300.1127 225.8236 256.8773 558027.5807 13.7748 14.0354 PRESSURE: 2361600 97.0802 -77.1167 -3.41319 -77.1165 115.911 -44.1821 -3.41514 -44.1824 309.824 GPRESSURE: 2361600 108.868 -55.669 6.96125 -7.12463 147.471 20.3274 3.55089 -121.269 363.488 PRESSAVG: 2361600 78.5104 -39.1188 11.8009 -39.1189 -19.7352 5.22485 11.8009 5.22487 -36.0638 GPRESSAVG: 2361600 78.8595 -38.4076 12.0969 -39.3228 -20.0903 5.94679 11.998 4.67103 -36.0448 TIMING: 2361600 CPU: 7119.04, 0.00297566/step Wall: 7119.04, 0.00297566/step, 2.18083 hours remaining, 209.457031 MB of memory in use. ENERGY: 2361600 731.4423 2050.7159 1932.4437 119.6562 -206434.0682 18041.5215 0.0000 0.0000 34369.2377 -149189.0509 300.1551 -183558.2886 -149099.3434 299.7387 174.2717 206.6090 557271.9148 7.5705 7.5748 PRESSURE: 2361800 -529.229 78.4089 3.8283 78.4083 145.48 16.39 3.8281 16.3902 279.333 GPRESSURE: 2361800 -510.71 82.1827 -29.6101 91.4334 170.245 -42.1529 60.3121 60.7022 338.093 PRESSAVG: 2361800 -82.5505 4.59257 -31.5471 4.59247 51.8381 -17.2684 -31.5472 -17.2685 46.8073 GPRESSAVG: 2361800 -84.6908 5.77433 -31.897 3.58152 52.8884 -19.6824 -32.3691 -15.6247 47.7816 TIMING: 2361800 CPU: 7119.64, 0.00300046/step Wall: 7119.64, 0.00300046/step, 2.19884 hours remaining, 209.457031 MB of memory in use. ENERGY: 2361800 735.1645 2029.3242 1924.8592 123.9870 -206044.5446 17756.2302 0.0000 0.0000 34438.1354 -149036.8442 300.7568 -183474.9796 -148942.0046 299.8711 -34.8055 -0.7906 557421.5210 5.3649 5.3264 PRESSURE: 2362000 -55.7161 149.731 48.8005 149.73 -269.97 40.8507 48.7997 40.8492 25.8651 GPRESSURE: 2362000 4.41695 157.171 -28.7822 164.901 -283.564 -7.43771 26.0247 59.4386 81.7565 PRESSAVG: 2362000 18.545 35.0781 -20.3356 35.0781 3.97133 2.45237 -20.3356 2.45229 -2.43397 GPRESSAVG: 2362000 20.242 35.3614 -21.1596 35.5059 2.81406 5.48636 -18.5153 -0.103195 -2.94634 TIMING: 2362000 CPU: 7120.23, 0.00299101/step Wall: 7120.23, 0.00299101/step, 2.19174 hours remaining, 209.457031 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: 2362000 748.1647 2059.3852 1947.7511 125.2059 -205989.0997 17768.3204 0.0000 0.0000 34365.7444 -148974.5279 300.1246 -183340.2722 -148881.0501 299.6484 -99.9403 -65.7968 557159.0746 6.6941 6.7033 PRESSURE: 2362200 -303.332 -13.0866 -48.7198 -13.0862 269.611 116.444 -48.7213 116.443 -28.6523 GPRESSURE: 2362200 -234.405 -24.3097 -46.6816 4.67252 271.056 130.149 -179.268 111.09 5.39489 PRESSAVG: 2362200 -18.3205 20.4806 -17.9913 20.4805 32.9885 -20.3278 -17.9913 -20.3278 -22.891 GPRESSAVG: 2362200 -17.0002 17.784 -15.7771 22.2113 32.1646 -21.5655 -20.0749 -19.9132 -24.0948 TIMING: 2362200 CPU: 7120.84, 0.00300224/step Wall: 7120.84, 0.00300224/step, 2.19981 hours remaining, 209.457031 MB of memory in use. ENERGY: 2362200 739.6363 2054.2285 1924.0580 110.8698 -205823.7104 17869.5136 0.0000 0.0000 34187.5389 -148937.8655 298.5683 -183125.4043 -148843.8761 299.3478 -20.7912 14.0154 558397.7138 -2.7410 -2.9768 PRESSURE: 2362400 109.285 -79.2673 -169.704 -79.2657 -141.089 -168.639 -169.704 -168.64 155.313 GPRESSURE: 2362400 141.518 -110.863 -110.189 -6.40716 -109.362 -127.685 -216.536 -113.788 197.684 PRESSAVG: 2362400 -51.6336 10.3248 -64.5746 10.3247 46.2571 -42.0331 -64.5747 -42.0329 11.2667 GPRESSAVG: 2362400 -53.6763 10.5663 -66.3705 8.59198 46.1329 -42.4001 -63.6565 -41.1617 13.0666 TIMING: 2362400 CPU: 7121.43, 0.00299015/step Wall: 7121.43, 0.00299015/step, 2.19078 hours remaining, 209.457031 MB of memory in use. ENERGY: 2362400 713.5537 2074.9395 1927.4972 112.8632 -205656.3962 17598.4497 0.0000 0.0000 34202.5778 -149026.5150 298.6996 -183229.0928 -148930.3425 299.6412 41.1693 76.6133 556929.3999 1.9634 1.8411 PRESSURE: 2362600 203.138 102.621 -6.43595 102.621 -237.409 32.6226 -6.43551 32.6225 -112.088 GPRESSURE: 2362600 233.493 111.65 -28.5644 69.3485 -179.155 119.544 -3.32934 -30.3609 -99.4977 PRESSAVG: 2362600 -11.474 52.0347 -1.19127 52.0347 -22.4015 -40.468 -1.19132 -40.4681 14.7033 GPRESSAVG: 2362600 -10.5735 53.32 -1.61217 52.475 -21.8838 -41.0544 -0.476232 -40.5383 13.1199 TIMING: 2362600 CPU: 7122.03, 0.00299193/step Wall: 7122.03, 0.00299193/step, 2.19192 hours remaining, 209.457031 MB of memory in use. ENERGY: 2362600 738.8923 2064.2552 1919.2390 106.2338 -206050.1925 17844.9901 0.0000 0.0000 34358.5196 -149018.0624 300.0615 -183376.5821 -148918.9742 298.9638 -48.7865 -15.0531 558392.6553 -6.3907 -6.4458 PRESSURE: 2362800 -9.48463 -56.0195 -33.6598 -56.0194 -105.303 -75.6196 -33.6594 -75.619 -288.461 GPRESSURE: 2362800 -7.00802 -23.3378 -44.0802 -92.0641 -85.5281 -128.022 32.8636 -57.5521 -213.461 PRESSAVG: 2362800 92.8273 15.4933 29.1828 15.4932 -30.3942 28.2867 29.1828 28.2866 -52.6135 GPRESSAVG: 2362800 91.6268 16.4301 31.521 13.048 -30.2083 29.1768 29.4241 28.715 -51.9315 TIMING: 2362800 CPU: 7122.63, 0.00297914/step Wall: 7122.63, 0.00297914/step, 2.18239 hours remaining, 209.457031 MB of memory in use. ENERGY: 2362800 710.5342 2116.1555 1932.9805 112.8722 -205849.4646 17726.1606 0.0000 0.0000 34229.0020 -149021.7595 298.9304 -183250.7616 -148923.8382 299.7915 -134.4162 -101.9990 560404.5514 3.2732 3.1623 PRESSURE: 2363000 147.473 13.9796 -35.8457 13.9802 227.824 -27.6565 -35.8452 -27.6558 145.825 GPRESSURE: 2363000 205.609 -40.999 -98.8809 44.1207 290.642 1.88073 52.4413 -7.43282 121.828 PRESSAVG: 2363000 51.1261 25.7319 -33.0576 25.7319 -43.7957 57.3725 -33.0576 57.3725 2.7314 GPRESSAVG: 2363000 52.2979 24.4343 -36.2079 27.6416 -44.337 56.171 -34.2911 56.9353 2.4875 TIMING: 2363000 CPU: 7123.23, 0.00300259/step Wall: 7123.23, 0.00300259/step, 2.1994 hours remaining, 209.457031 MB of memory in use. ENERGY: 2363000 752.2424 2084.4815 1946.0483 109.9521 -206340.5872 18055.5329 0.0000 0.0000 34483.5106 -148908.8194 301.1531 -183392.3299 -148814.8944 299.6112 173.7073 206.0264 557628.7949 3.3540 3.4828 PRESSURE: 2363200 136.284 -14.3774 -170.665 -14.3768 160.825 -304.164 -170.665 -304.165 110.184 GPRESSURE: 2363200 103.223 -56.2692 -115.792 25.9326 227.408 -346.084 -190.146 -254.071 182.209 PRESSAVG: 2363200 -6.61849 24.2625 -18.1577 24.2626 68.257 -23.6804 -18.1578 -23.6805 -28.1319 GPRESSAVG: 2363200 -6.47004 24.3273 -15.7439 25.7233 68.7682 -22.1371 -18.7664 -23.1917 -29.0229 TIMING: 2363200 CPU: 7123.83, 0.00299705/step Wall: 7123.83, 0.00299705/step, 2.19518 hours remaining, 209.457031 MB of memory in use. ENERGY: 2363200 736.9818 2049.7613 1903.4885 114.5039 -206133.6025 17977.1750 0.0000 0.0000 34580.0940 -148771.5981 301.9966 -183351.6920 -148670.8393 300.4276 135.7643 170.9466 559362.0176 11.1689 11.0917 PRESSURE: 2363400 270.739 58.2949 41.0641 58.2951 -190.506 84.0962 41.0643 84.0961 152.435 GPRESSURE: 2363400 271.989 29.1446 100.884 17.191 -158.109 87.8178 7.98666 21.2909 205.369 PRESSAVG: 2363400 53.8194 -12.6954 -24.9564 -12.6954 21.0751 -31.305 -24.9565 -31.305 -25.2505 GPRESSAVG: 2363400 52.4104 -11.9783 -24.6263 -14.1943 21.1899 -30.8608 -23.9208 -33.0708 -24.0092 TIMING: 2363400 CPU: 7124.43, 0.00302168/step Wall: 7124.43, 0.00302168/step, 2.21305 hours remaining, 209.457031 MB of memory in use. ENERGY: 2363400 779.1406 2023.9903 1938.2161 123.2235 -206181.8764 18069.2085 0.0000 0.0000 34301.5093 -148946.5881 299.5636 -183248.0974 -148845.5135 300.1456 77.5557 106.4164 558242.2159 16.5480 16.5303 PRESSURE: 2363600 22.1259 29.406 26.2213 29.4051 0.760883 -46.4102 26.2227 -46.4086 -202.659 GPRESSURE: 2363600 21.2709 23.7116 -8.39749 17.6495 39.838 -80.6876 17.6696 36.518 -146.656 PRESSAVG: 2363600 24.8142 38.5969 -29.4174 38.5967 -31.8427 -6.27942 -29.4174 -6.27917 18.1419 GPRESSAVG: 2363600 25.9073 38.1708 -30.6943 37.4789 -33.3532 -6.45117 -28.8331 -5.45967 18.4139 TIMING: 2363600 CPU: 7125.04, 0.0030215/step Wall: 7125.04, 0.0030215/step, 2.21274 hours remaining, 209.457031 MB of memory in use. ENERGY: 2363600 767.8156 2046.6036 1926.4909 124.1139 -206065.6421 17868.2145 0.0000 0.0000 34191.1896 -149141.2140 298.6002 -183332.4036 -149043.0797 299.8062 -59.9242 -28.5156 558768.4746 3.7044 3.6560 PRESSURE: 2363800 -131.174 22.7252 27.6144 22.7244 258.57 -41.3978 27.614 -41.398 111.773 GPRESSURE: 2363800 -42.901 8.03472 102.787 25.0545 215.582 1.44928 -43.4121 39.1351 142.256 PRESSAVG: 2363800 -58.3142 -20.7573 9.78153 -20.7573 6.72729 2.63927 9.7815 2.6394 39.8797 GPRESSAVG: 2363800 -58.594 -21.4054 11.7307 -17.7691 7.03482 2.62035 9.396 2.84884 39.4849 TIMING: 2363800 CPU: 7125.64, 0.00302399/step Wall: 7125.64, 0.00302399/step, 2.2144 hours remaining, 209.457031 MB of memory in use. ENERGY: 2363800 742.8273 2055.9316 1914.7770 115.5609 -206109.5285 17797.1241 0.0000 0.0000 34306.7626 -149176.5450 299.6095 -183483.3076 -149076.6784 299.1415 79.7231 104.9789 557988.1617 -3.9024 -4.0248 PRESSURE: 2364000 124.431 47.1172 -93.4732 47.1165 52.7099 -11.3948 -93.4728 -11.3951 -30.8909 GPRESSURE: 2364000 128.029 -25.2468 -161.092 4.05611 128.297 31.8873 -81.1078 -60.0635 -23.0143 PRESSAVG: 2364000 5.20911 -14.2214 4.43109 -14.2214 -9.29577 4.34127 4.43115 4.34135 7.90378 GPRESSAVG: 2364000 5.40117 -14.0333 0.630294 -14.7632 -8.19046 3.32261 4.58051 4.56026 6.53221 TIMING: 2364000 CPU: 7126.25, 0.00302346/step Wall: 7126.25, 0.00302346/step, 2.21385 hours remaining, 209.457031 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: 2364000 730.4433 2003.9587 1954.1276 104.3366 -206501.9786 17946.2949 0.0000 0.0000 34377.3556 -149385.4619 300.2260 -183762.8175 -149283.9876 299.4442 48.7499 77.7708 555705.9483 1.2724 1.2476 PRESSURE: 2364200 90.7453 -42.2623 -178.954 -42.2628 88.6677 174.468 -178.955 174.47 78.4298 GPRESSURE: 2364200 145.559 28.5161 -191.711 3.2713 148.865 157.657 -235.57 182.904 61.5348 PRESSAVG: 2364200 2.44119 12.0954 -22.8996 12.0953 9.78003 -45.4321 -22.8996 -45.432 45.8658 GPRESSAVG: 2364200 1.93266 11.589 -19.8675 10.7398 8.85026 -44.666 -23.1277 -45.153 46.8879 TIMING: 2364200 CPU: 7126.84, 0.00298971/step Wall: 7126.84, 0.00298971/step, 2.18897 hours remaining, 209.457031 MB of memory in use. ENERGY: 2364200 699.8904 2007.6071 1918.8594 115.3536 -206170.1254 17894.8979 0.0000 0.0000 34183.4277 -149350.0893 298.5324 -183533.5170 -149255.9165 299.1479 85.9476 118.6529 556517.1841 19.3624 19.2236 LDB: ============= START OF LOAD BALANCING ============== 7130.36 LDB: ============== END OF LOAD BALANCING =============== 7130.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7130.36 LDB: ============= START OF LOAD BALANCING ============== 7130.66 LDB: Largest compute 4801 load 0.029270 is 24.8% of average load 0.118054 LDB: Average compute 0.001728 is 1.5% of average load 0.118054 LDB: TIME 7130.66 LOAD: AVG 0.118054 MAX 0.204371 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.508 MB LDB: TIME 7130.66 LOAD: AVG 0.118054 MAX 0.204371 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.508 MB LDB: TIME 7130.66 LOAD: AVG 0.118054 MAX 0.204371 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.508 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7130.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7130.67 PRESSURE: 2364400 9.9778 -5.05135 -5.64654 -5.05027 -163.03 -87.3168 -5.64596 -87.315 -19.574 GPRESSURE: 2364400 71.3606 27.2601 -56.3698 17.8125 -143.295 -148.038 85.1629 4.78022 -2.30568 PRESSAVG: 2364400 -73.4352 -12.5487 -25.1109 -12.5487 27.3905 30.7263 -25.1108 30.7264 3.83811 GPRESSAVG: 2364400 -73.9432 -10.6755 -25.3057 -12.9786 26.402 30.5581 -25.8351 30.1216 5.09707 TIMING: 2364400 CPU: 7127.45, 0.00303955/step Wall: 7127.45, 0.00303955/step, 2.22529 hours remaining, 209.566406 MB of memory in use. ENERGY: 2364400 764.7553 2056.8571 1898.9340 102.8510 -206197.5007 17890.3664 0.0000 0.0000 34131.6190 -149352.1180 298.0799 -183483.7370 -149256.7640 298.8509 -57.5422 -24.7466 558566.8023 -14.0689 -14.1480 PRESSURE: 2364600 -138.894 82.1887 -150.98 82.1894 -290.008 39.7775 -150.981 39.7799 -296.049 GPRESSURE: 2364600 -107.388 69.5509 -162.653 70.1516 -278.847 73.5532 -91.2225 36.3184 -237.848 PRESSAVG: 2364600 17.7638 46.7497 -8.63171 46.7497 -34.2371 33.3777 -8.63162 33.3776 23.3665 GPRESSAVG: 2364600 18.2163 44.3216 -8.75655 48.477 -33.2352 32.3715 -8.06806 33.7669 21.6276 TIMING: 2364600 CPU: 7128.05, 0.00297826/step Wall: 7128.05, 0.00297826/step, 2.18025 hours remaining, 209.769531 MB of memory in use. ENERGY: 2364600 743.5914 2042.2150 1950.8170 96.6762 -206019.5401 17505.7874 0.0000 0.0000 34311.0177 -149369.4353 299.6467 -183680.4530 -149274.6958 299.0172 -241.6507 -208.0277 557833.7130 2.2977 2.2029 PRESSURE: 2364800 165.073 -48.6343 32.8021 -48.6353 -61.588 -132.793 32.8014 -132.792 -312.284 GPRESSURE: 2364800 204.798 -118.74 0.187732 -28.5812 -36.2462 -89.7197 68.9887 -196.476 -285.276 PRESSAVG: 2364800 8.689 44.6043 -48.9077 44.6044 4.13266 -12.4461 -48.9076 -12.4462 -39.9946 GPRESSAVG: 2364800 8.19726 46.0798 -48.9775 42.596 4.1211 -12.3761 -49.2836 -13.0073 -39.6759 TIMING: 2364800 CPU: 7128.65, 0.00299137/step Wall: 7128.65, 0.00299137/step, 2.18968 hours remaining, 209.769531 MB of memory in use. ENERGY: 2364800 769.5031 2047.5589 1903.3567 110.9077 -206276.8531 17894.4220 0.0000 0.0000 34248.4210 -149302.6836 299.1000 -183551.1046 -149203.3913 298.7536 -69.5997 -38.9081 558578.5719 -9.0577 -9.1192 PRESSURE: 2365000 -466.86 -243.783 -125.954 -243.783 -65.5512 103.355 -125.953 103.355 -241.296 GPRESSURE: 2365000 -467.647 -220.521 -61.2357 -163.405 -0.414661 54.2229 -202.674 31.1012 -214.852 PRESSAVG: 2365000 -27.6098 2.07678 -24.1693 2.07697 25.076 -29.6891 -24.1694 -29.6891 10.5818 GPRESSAVG: 2365000 -28.074 3.45081 -22.8786 3.83851 25.3397 -28.1122 -24.7102 -28.7702 10.7477 TIMING: 2365000 CPU: 7129.25, 0.00300329/step Wall: 7129.25, 0.00300329/step, 2.19824 hours remaining, 209.769531 MB of memory in use. ENERGY: 2365000 735.4417 2043.0202 1946.9897 106.3402 -205886.2153 17461.0616 0.0000 0.0000 34336.6334 -149256.7285 299.8704 -183593.3619 -149158.5801 299.6816 -257.9025 -227.6381 558355.6153 2.6827 2.6711 PRESSURE: 2365200 -116.464 -57.3478 -2.2738 -57.3487 -113.205 79.4873 -2.27445 79.4882 -64.813 GPRESSURE: 2365200 -54.8374 -60.199 -44.6469 -53.5166 -128.03 38.5728 -19.5597 35.5161 -19.3217 PRESSAVG: 2365200 -26.4313 58.0229 -3.5034 58.0229 23.2568 -17.3867 -3.50349 -17.3867 26.3573 GPRESSAVG: 2365200 -25.5614 56.5401 -4.32913 57.6424 23.7997 -16.6295 -3.8377 -18.4857 25.2461 TIMING: 2365200 CPU: 7129.85, 0.00300469/step Wall: 7129.85, 0.00300469/step, 2.1991 hours remaining, 209.769531 MB of memory in use. ENERGY: 2365200 752.7801 2045.1012 1952.8137 108.5069 -206153.5790 17727.6280 0.0000 0.0000 34161.3997 -149405.3494 298.3400 -183566.7491 -149310.4850 298.8937 -98.1607 -67.3962 557256.4628 7.7276 7.8281 PRESSURE: 2365400 -53.8052 -116.665 90.1631 -116.665 -44.0988 -105.641 90.1617 -105.64 -106.222 GPRESSURE: 2365400 -25.9628 -210.52 73.1616 -152.38 -7.86779 -27.7315 85.6898 -134.849 -76.5622 PRESSAVG: 2365400 -80.0128 -2.77048 -20.6518 -2.77049 -6.86624 7.30463 -20.6518 7.30453 50.9855 GPRESSAVG: 2365400 -80.3906 -1.84256 -21.2559 -3.03963 -5.78825 5.42671 -18.8896 9.76718 50.2469 TIMING: 2365400 CPU: 7130.45, 0.00302028/step Wall: 7130.45, 0.00302028/step, 2.21034 hours remaining, 209.769531 MB of memory in use. ENERGY: 2365400 756.8687 2030.4213 1959.6083 114.8827 -205937.0216 17496.4527 0.0000 0.0000 34278.6802 -149300.1077 299.3642 -183578.7879 -149200.1251 298.9456 -68.0421 -36.7976 555383.1270 -11.9645 -11.9773 PRESSURE: 2365600 -240.727 -28.5632 88.2156 -28.5621 -180.738 -27.7796 88.2148 -27.7785 -147.442 GPRESSURE: 2365600 -186.455 30.1045 77.8128 -24.6721 -179.511 -59.9252 106.184 21.0559 -117.277 PRESSAVG: 2365600 -8.17454 -33.931 10.3887 -33.931 -32.6008 4.4531 10.3887 4.45311 30.7765 GPRESSAVG: 2365600 -8.46107 -30.241 10.1256 -36.4248 -33.2548 4.98682 11.5453 3.39197 31.6902 TIMING: 2365600 CPU: 7131.06, 0.00303495/step Wall: 7131.06, 0.00303495/step, 2.22091 hours remaining, 209.769531 MB of memory in use. ENERGY: 2365600 713.4104 2129.9054 1922.1980 117.0560 -205887.6186 17287.2918 0.0000 0.0000 34372.9994 -149344.7575 300.1880 -183717.7569 -149248.7021 299.4054 -189.6356 -161.0811 555632.6904 -3.3330 -3.3419 PRESSURE: 2365800 -365.478 80.3568 -66.5374 80.355 -157.876 123.306 -66.5374 123.305 -178.127 GPRESSURE: 2365800 -345.018 -45.0794 -85.3863 164.663 -110.757 90.3604 54.9462 174.632 -135.133 PRESSAVG: 2365800 -21.4803 28.2694 -21.4807 28.2693 -2.39871 29.5626 -21.4807 29.5626 16.6761 GPRESSAVG: 2365800 -20.1479 24.6496 -20.3006 31.5857 -3.85703 31.0151 -23.0189 26.0775 16.9032 TIMING: 2365800 CPU: 7131.67, 0.00306435/step Wall: 7131.67, 0.00306435/step, 2.24225 hours remaining, 209.769531 MB of memory in use. ENERGY: 2365800 716.5461 2070.7685 1946.6008 132.4264 -205912.4851 17457.6327 0.0000 0.0000 34091.4028 -149497.1079 297.7287 -183588.5107 -149399.1200 298.6297 -233.8268 -196.9696 556949.1486 -2.4009 -2.3673 PRESSURE: 2366000 -100.145 142.25 143.419 142.248 64.9518 24.3426 143.419 24.3422 -12.9056 GPRESSURE: 2366000 -21.5834 183.189 127.825 52.6817 68.6642 79.1685 86.4198 3.5259 -3.71674 PRESSAVG: 2366000 -65.3406 23.0031 -23.4534 23.0032 -26.6637 5.69885 -23.4534 5.69881 39.934 GPRESSAVG: 2366000 -65.4503 24.9355 -24.9753 22.1259 -25.8454 5.89098 -22.5767 7.81273 39.6605 TIMING: 2366000 CPU: 7132.27, 0.00302022/step Wall: 7132.27, 0.00302022/step, 2.2098 hours remaining, 209.972656 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: 2366000 716.4878 2057.1880 1945.1993 114.6255 -206144.1439 17751.0669 0.0000 0.0000 34128.2607 -149431.3159 298.0506 -183559.5766 -149331.1381 298.4457 -16.0329 14.4547 556529.4001 -17.3568 -17.2117 PRESSURE: 2366200 77.4005 41.0554 25.6285 41.0562 -43.2281 76.1496 25.6271 76.1484 -203.354 GPRESSURE: 2366200 52.4227 -12.7855 40.0864 89.6963 1.05088 76.9066 -10.2074 54.0288 -144.503 PRESSAVG: 2366200 -29.4241 50.3215 -0.272286 50.3215 17.9255 27.002 -0.272306 27.002 9.63148 GPRESSAVG: 2366200 -28.8889 46.4886 -1.4797 50.9938 17.3006 25.8483 -0.0781179 25.445 9.58629 TIMING: 2366200 CPU: 7132.88, 0.00304441/step Wall: 7132.88, 0.00304441/step, 2.22732 hours remaining, 209.972656 MB of memory in use. ENERGY: 2366200 757.9774 2130.5998 1942.8856 120.5850 -206134.9390 17794.8997 0.0000 0.0000 34031.6539 -149356.3376 297.2069 -183387.9914 -149264.5030 299.4875 -56.3939 -30.3431 557076.1167 -0.6224 -0.6674 PRESSURE: 2366400 -70.0594 -148.326 29.9968 -148.327 -221.598 -59.6563 29.9964 -59.6554 -283.339 GPRESSURE: 2366400 -63.5342 -174.193 139.673 -141.906 -131.926 -35.0377 -86.4617 -3.03473 -283.665 PRESSAVG: 2366400 -28.7062 32.096 26.9313 32.096 50.9062 34.5983 26.9313 34.5984 -33.6916 GPRESSAVG: 2366400 -28.8383 35.8812 29.3459 31.3007 51.3111 34.5314 24.6875 35.6308 -33.3042 TIMING: 2366400 CPU: 7133.49, 0.00301614/step Wall: 7133.49, 0.00301614/step, 2.20647 hours remaining, 209.972656 MB of memory in use. ENERGY: 2366400 724.5024 2066.9818 1922.9380 124.6220 -206156.7007 17622.0452 0.0000 0.0000 34124.5352 -149571.0762 298.0181 -183695.6114 -149471.4626 298.1757 -191.6656 -159.7086 559682.9800 -3.8305 -3.6105 PRESSURE: 2366600 -163.846 -16.0247 -105.498 -16.0243 90.9598 -91.1248 -105.498 -91.1248 157.389 GPRESSURE: 2366600 -84.8552 7.46398 -108.123 -24.7715 85.0518 -99.4624 -226.535 -89.2096 182.438 PRESSAVG: 2366600 -12.9712 -8.26629 15.4518 -8.26637 8.16736 -22.0304 15.4517 -22.0303 34.0213 GPRESSAVG: 2366600 -13.757 -8.65222 16.5181 -7.91062 8.2365 -21.1997 16.0297 -22.5553 34.288 TIMING: 2366600 CPU: 7134.09, 0.00299609/step Wall: 7134.09, 0.00299609/step, 2.19164 hours remaining, 209.972656 MB of memory in use. ENERGY: 2366600 750.3493 2043.9177 1951.5663 106.9120 -206125.5530 17728.0210 0.0000 0.0000 34104.0531 -149440.7335 297.8392 -183544.7866 -149347.3564 298.5554 28.1677 60.8783 557598.5698 9.7391 9.5892 PRESSURE: 2366800 152.269 -154.19 91.5183 -154.19 182.101 -93.8382 91.5184 -93.8378 191.392 GPRESSURE: 2366800 191.207 -212.536 112.463 -208.524 229.362 -115.637 120.618 -19.3502 204.957 PRESSAVG: 2366800 -56.1902 0.0855762 -8.74329 0.0855714 24.8662 49.7707 -8.74326 49.7708 98.9015 GPRESSAVG: 2366800 -55.0682 -3.38474 -9.10253 0.391163 24.6552 50.0188 -9.34606 51.2304 97.822 TIMING: 2366800 CPU: 7134.69, 0.00301836/step Wall: 7134.69, 0.00301836/step, 2.20777 hours remaining, 209.972656 MB of memory in use. ENERGY: 2366800 723.0208 2105.9079 1949.3987 120.7402 -207015.0740 18310.3380 0.0000 0.0000 34239.3095 -149566.3589 299.0204 -183805.6684 -149468.3913 298.2007 175.2539 208.5083 557548.8664 22.5258 22.4697 PRESSURE: 2367000 -0.305274 40.8766 -169.207 40.8769 59.4201 84.2818 -169.208 84.2834 -158.513 GPRESSURE: 2367000 10.1535 23.0225 -136.313 37.4313 65.8906 101.737 -77.9608 135.163 -67.4971 PRESSAVG: 2367000 60.43 -38.623 -52.7135 -38.6229 -15.3158 -65.0322 -52.7134 -65.0321 -27.1357 GPRESSAVG: 2367000 59.4267 -37.1542 -53.6932 -39.4421 -14.8822 -65.8367 -52.2006 -64.5918 -26.9549 TIMING: 2367000 CPU: 7135.29, 0.00302083/step Wall: 7135.29, 0.00302083/step, 2.2094 hours remaining, 209.972656 MB of memory in use. ENERGY: 2367000 735.4539 2118.2888 1916.6583 110.2226 -206255.6494 17680.3025 0.0000 0.0000 34153.1380 -149541.5853 298.2678 -183694.7233 -149446.2062 298.5331 -33.1327 2.8490 557884.5617 5.9929 5.8632 PRESSURE: 2367200 -21.2039 23.3688 -10.0019 23.3697 -120.342 -126.802 -10.0011 -126.803 -307.64 GPRESSURE: 2367200 -12.8486 85.2046 34.7674 3.71402 -75.0093 -99.5975 -113.873 -179.632 -255.088 PRESSAVG: 2367200 5.9679 34.6676 -52.6406 34.6677 -65.9091 -8.06671 -52.6406 -8.0668 6.24245 GPRESSAVG: 2367200 5.01052 33.9272 -51.3933 34.2285 -65.4814 -7.78485 -52.3432 -9.57643 6.69982 TIMING: 2367200 CPU: 7135.9, 0.0030081/step Wall: 7135.9, 0.0030081/step, 2.19992 hours remaining, 209.972656 MB of memory in use. ENERGY: 2367200 735.6443 2082.2857 1923.6886 120.6502 -206226.5648 17543.8275 0.0000 0.0000 34205.3069 -149615.1616 298.7235 -183820.4685 -149527.5172 297.7080 -149.7288 -114.3152 557209.5368 -17.8996 -17.9237 PRESSURE: 2367400 -213.29 33.148 -45.2582 33.1483 -331.435 -36.5735 -45.2583 -36.5731 -194.074 GPRESSURE: 2367400 -155.295 -6.05735 -56.7914 -12.0577 -324.799 -8.13451 -52.5867 -69.7106 -154.014 PRESSAVG: 2367400 -4.47636 -18.9206 -14.5812 -18.9207 15.319 -18.5388 -14.5811 -18.5387 -3.97816 GPRESSAVG: 2367400 -3.93695 -17.7346 -14.6834 -18.6534 14.4462 -20.6492 -13.7793 -17.5583 -3.62908 TIMING: 2367400 CPU: 7136.5, 0.00299978/step Wall: 7136.5, 0.00299978/step, 2.19367 hours remaining, 209.972656 MB of memory in use. ENERGY: 2367400 775.7038 2089.7021 1930.3993 109.9016 -206120.5305 17480.2953 0.0000 0.0000 34176.0357 -149558.4928 298.4678 -183734.5285 -149456.2354 298.4413 -246.2662 -211.3693 558267.1705 2.2882 2.2934 PRESSURE: 2367600 55.5635 -80.9292 -39.8805 -80.9295 -119.833 121.555 -39.8801 121.552 -152.938 GPRESSURE: 2367600 113.985 -132.09 -15.0355 -82.5435 -90.825 8.28554 -85.3046 229.539 -151.015 PRESSAVG: 2367600 7.70065 1.77996 -25.8702 1.77988 35.6851 -41.0531 -25.8702 -41.0532 -37.9752 GPRESSAVG: 2367600 8.07873 0.80665 -27.7161 1.87085 36.4136 -40.914 -26.4046 -40.3601 -38.9626 TIMING: 2367600 CPU: 7137.09, 0.00298459/step Wall: 7137.09, 0.00298459/step, 2.1824 hours remaining, 209.972656 MB of memory in use. ENERGY: 2367600 749.9949 2088.7378 1931.2973 112.6991 -206022.2746 17546.1785 0.0000 0.0000 34096.9766 -149496.3903 297.7774 -183593.3669 -149398.0644 298.1905 -72.4023 -42.6184 555865.4027 1.8035 1.8433 PRESSURE: 2367800 -52.4189 40.1451 143.733 40.1445 -28.1588 130.444 143.734 130.445 -33.3075 GPRESSURE: 2367800 -31.7949 -9.59472 209.453 50.3439 27.8991 165.756 156.82 67.9918 -16.0891 PRESSAVG: 2367800 7.85803 9.85029 37.1883 9.85027 19.6224 16.9848 37.1883 16.9849 -8.56328 GPRESSAVG: 2367800 7.95475 9.26734 38.2922 7.40834 19.8065 18.219 36.6063 15.7269 -8.30023 TIMING: 2367800 CPU: 7137.69, 0.00298343/step Wall: 7137.69, 0.00298343/step, 2.18139 hours remaining, 209.972656 MB of memory in use. ENERGY: 2367800 783.3709 2014.1375 1907.0674 112.3417 -206532.9210 17827.4029 0.0000 0.0000 34356.4231 -149532.1776 300.0432 -183888.6007 -149433.3312 297.6796 -37.9617 -6.6617 556970.6622 6.3057 6.4870 PRESSURE: 2368000 141.83 -143.787 56.8411 -143.786 45.2206 202.631 56.8427 202.633 27.3336 GPRESSURE: 2368000 137.676 -108.124 112.787 -163.917 121.874 264.563 63.651 84.2394 47.231 PRESSAVG: 2368000 -17.9886 5.97922 37.5046 5.9791 7.25217 29.2917 37.5046 29.2917 29.3117 GPRESSAVG: 2368000 -17.3423 4.87406 38.4418 9.51399 7.02153 31.6688 38.3569 28.5828 29.1287 TIMING: 2368000 CPU: 7138.29, 0.00300837/step Wall: 7138.29, 0.00300836/step, 2.19945 hours remaining, 209.972656 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: 2368000 724.7817 2086.2691 1965.5519 122.1064 -206960.6463 18082.4396 0.0000 0.0000 34217.0842 -149762.4133 298.8263 -183979.4975 -149665.9269 298.2316 71.4613 102.2605 556385.8139 6.1918 6.2693 PRESSURE: 2368200 -198.445 65.5153 199.21 65.5164 -211.615 -127.836 199.209 -127.837 -5.80653 GPRESSURE: 2368200 -144.017 50.928 106.948 59.9869 -160.548 -126.235 202.509 -80.312 -26.4111 PRESSAVG: 2368200 15.6247 -14.3813 55.9173 -14.3813 27.0891 12.4077 55.9173 12.4077 -19.3853 GPRESSAVG: 2368200 14.235 -11.9895 53.9564 -16.0719 26.7708 10.5924 55.5984 13.8322 -17.458 TIMING: 2368200 CPU: 7138.9, 0.00303414/step Wall: 7138.9, 0.00303414/step, 2.21812 hours remaining, 209.972656 MB of memory in use. ENERGY: 2368200 755.6317 2020.7901 1932.7729 112.1306 -206636.3960 17707.5051 0.0000 0.0000 34333.7165 -149773.8493 299.8449 -184107.5658 -149680.6623 297.4688 -138.6221 -110.3254 556630.9772 7.7762 7.8493 LDB: ============= START OF LOAD BALANCING ============== 7142.41 LDB: ============== END OF LOAD BALANCING =============== 7142.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7142.42 LDB: ============= START OF LOAD BALANCING ============== 7142.72 LDB: Largest compute 4801 load 0.029835 is 25.3% of average load 0.118092 LDB: Average compute 0.001735 is 1.5% of average load 0.118092 LDB: TIME 7142.72 LOAD: AVG 0.118092 MAX 0.206052 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.113 MB LDB: TIME 7142.72 LOAD: AVG 0.118092 MAX 0.206052 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.117 MB LDB: TIME 7142.72 LOAD: AVG 0.118092 MAX 0.206052 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.117 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7142.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7142.72 PRESSURE: 2368400 -103.956 10.3894 138.061 10.3896 -129.007 37.3375 138.061 37.3377 -1.26202 GPRESSURE: 2368400 -99.4339 -38.5189 123.904 13.8961 -58.0112 78.1941 173.752 46.944 21.7376 PRESSAVG: 2368400 -3.46411 34.6624 33.9066 34.6625 5.33759 -10.5 33.9066 -10.5001 11.163 GPRESSAVG: 2368400 -1.67542 33.7242 33.7745 33.2863 5.09164 -12.4755 35.4372 -10.706 9.65821 TIMING: 2368400 CPU: 7139.51, 0.00305393/step Wall: 7139.51, 0.00305393/step, 2.23243 hours remaining, 210.304688 MB of memory in use. ENERGY: 2368400 729.7293 2048.1381 1971.7193 123.9940 -206185.1730 17692.2896 0.0000 0.0000 34054.0691 -149565.2338 297.4027 -183619.3029 -149472.3923 298.0857 -78.0750 -45.2358 557810.2037 4.3455 4.3581 PRESSURE: 2368600 -189.026 -98.7727 -204.83 -98.7713 111.25 22.8072 -204.83 22.8069 14.7491 GPRESSURE: 2368600 -203.263 -111.492 -117.934 -136.394 156.928 19.7309 -226.679 -36.2022 75.0819 PRESSAVG: 2368600 34.8618 32.8175 1.21718 32.8175 -0.707658 -8.1735 1.21727 -8.17338 -42.8647 GPRESSAVG: 2368600 33.5291 32.4913 0.946987 35.4478 -0.174303 -7.33548 0.545021 -8.06961 -42.4227 TIMING: 2368600 CPU: 7140.11, 0.00301935/step Wall: 7140.11, 0.00301935/step, 2.20698 hours remaining, 210.507812 MB of memory in use. ENERGY: 2368600 770.3848 2034.2966 1917.6984 114.7326 -206620.9655 18146.1039 0.0000 0.0000 34036.7652 -149600.9840 297.2515 -183637.7492 -149508.8729 298.0056 -21.0090 9.5824 559137.1620 -2.9035 -3.0227 PRESSURE: 2368800 -53.7656 106.778 137.59 106.778 -161.774 -112.577 137.589 -112.577 2.78356 GPRESSURE: 2368800 -34.626 160.383 94.9291 127.025 -59.1943 -74.8184 93.1467 -174.561 -15.2624 PRESSAVG: 2368800 -27.5238 9.88235 -32.5688 9.88235 22.7084 27.7538 -32.5688 27.754 -23.6918 GPRESSAVG: 2368800 -28.0201 9.40698 -31.416 9.36764 23.0273 27.8262 -33.9566 27.0695 -23.6431 TIMING: 2368800 CPU: 7140.71, 0.00300154/step Wall: 7140.71, 0.00300154/step, 2.1938 hours remaining, 210.507812 MB of memory in use. ENERGY: 2368800 741.9869 2121.0459 1924.7022 118.1361 -206301.9810 17736.6013 0.0000 0.0000 34064.7826 -149594.7261 297.4962 -183659.5087 -149494.8827 297.5751 -70.9187 -36.3609 557129.1276 -9.5024 -9.5453 PRESSURE: 2369000 66.6952 20.2429 -151.151 20.2432 -32.0566 33.4288 -151.152 33.4272 -39.3563 GPRESSURE: 2369000 99.0004 -43.2648 -143.127 17.6042 -41.0796 10.2317 -148.96 16.5437 28.8984 PRESSAVG: 2369000 -35.1294 -4.14536 -10.0382 -4.14532 27.377 -31.5586 -10.0381 -31.5584 -9.86072 GPRESSAVG: 2369000 -34.5426 -2.93563 -8.76325 -4.9808 27.4749 -32.4434 -9.38126 -30.4404 -10.398 TIMING: 2369000 CPU: 7141.31, 0.00299477/step Wall: 7141.31, 0.00299477/step, 2.18868 hours remaining, 210.507812 MB of memory in use. ENERGY: 2369000 774.2249 2124.7465 1915.6858 109.7582 -206488.7227 17824.6552 0.0000 0.0000 34081.9470 -149657.7052 297.6461 -183739.6522 -149551.3576 297.6005 -1.5726 28.9397 556507.9419 -5.8710 -5.8219 PRESSURE: 2369200 198.31 -54.753 169.068 -54.7549 260.863 91.8439 169.068 91.8465 33.309 GPRESSURE: 2369200 197.931 -84.4342 254.208 -57.3484 300.114 20.7888 87.2213 132.303 85.5252 PRESSAVG: 2369200 13.3706 51.6762 18.7573 51.6763 12.0363 -19.5002 18.7574 -19.5002 15.3124 GPRESSAVG: 2369200 12.8859 50.7494 16.3047 52.5026 11.3468 -18.7627 18.9909 -19.3118 16.6345 TIMING: 2369200 CPU: 7141.91, 0.00298368/step Wall: 7141.91, 0.00298368/step, 2.18041 hours remaining, 210.507812 MB of memory in use. ENERGY: 2369200 789.4645 2108.4706 1951.1816 112.7406 -206989.7206 18275.8764 0.0000 0.0000 34351.7259 -149400.2610 300.0022 -183751.9869 -149310.9679 298.6259 164.1609 194.5233 555832.7701 13.5731 13.6224 PRESSURE: 2369400 22.5714 85.7204 49.352 85.7217 36.4477 -125.27 49.3514 -125.269 330.266 GPRESSURE: 2369400 81.7071 203.255 119.397 34.0553 74.1813 -164.87 -4.32237 -114.674 329.162 PRESSAVG: 2369400 6.54176 -27.3354 15.2616 -27.3355 -31.0955 -8.46796 15.2616 -8.46797 28.7147 GPRESSAVG: 2369400 6.7995 -26.8755 14.5395 -27.5401 -30.6361 -8.24441 14.6889 -8.97975 28.0184 TIMING: 2369400 CPU: 7142.51, 0.00300043/step Wall: 7142.51, 0.00300043/step, 2.19248 hours remaining, 210.507812 MB of memory in use. ENERGY: 2369400 765.2064 2018.3802 1923.9691 111.3884 -206479.9086 18040.9327 0.0000 0.0000 34197.8358 -149422.1959 298.6582 -183620.0317 -149325.6398 298.0155 129.7616 161.6833 555748.8063 1.3870 1.3939 PRESSURE: 2369600 12.6051 43.1232 37.5026 43.1234 -90.6727 -87.8653 37.5027 -87.866 -119.734 GPRESSURE: 2369600 -7.97027 52.3988 -19.6838 71.9028 -10.793 -93.6826 96.5199 -38.6567 -89.3401 PRESSAVG: 2369600 15.8418 -2.09397 45.9774 -2.09393 -62.6466 0.592774 45.9774 0.592788 68.613 GPRESSAVG: 2369600 15.9021 -0.941898 48.6021 -3.99306 -63.5762 1.03203 45.1594 1.0967 68.9191 TIMING: 2369600 CPU: 7143.11, 0.00298581/step Wall: 7143.11, 0.00298581/step, 2.18163 hours remaining, 210.507812 MB of memory in use. ENERGY: 2369600 766.8984 2117.3634 1940.8837 118.0581 -206162.6385 17752.2550 0.0000 0.0000 34088.7710 -149378.4089 297.7057 -183467.1799 -149276.3103 298.6205 -65.9340 -36.0345 556770.8940 7.2694 7.0816 PRESSURE: 2369800 -129.586 21.5487 89.8558 21.55 70.3297 44.279 89.8552 44.2799 -138.258 GPRESSURE: 2369800 -99.2797 66.6668 93.1531 -39.4294 121.42 -6.42297 51.3039 8.91816 -118.336 PRESSAVG: 2369800 62.9723 -35.9063 16.6819 -35.9062 -34.4596 5.51311 16.6818 5.5132 -34.8384 GPRESSAVG: 2369800 62.5112 -38.7249 13.8297 -34.4942 -34.0308 3.90273 19.6731 4.72079 -34.9521 TIMING: 2369800 CPU: 7143.71, 0.00300921/step Wall: 7143.71, 0.00300921/step, 2.19856 hours remaining, 210.507812 MB of memory in use. ENERGY: 2369800 774.5857 2034.8328 1926.4536 111.3997 -206293.0958 17850.5342 0.0000 0.0000 34340.5360 -149254.7537 299.9044 -183595.2898 -149156.6799 298.6483 -65.8382 -32.0652 559188.3321 -2.1086 -2.1572 PRESSURE: 2370000 -153.982 -120.788 20.1785 -120.786 -383.273 -3.57036 20.1794 -3.57172 -18.2194 GPRESSURE: 2370000 -123.626 -121.472 -4.06349 -50.9555 -318.026 -51.5123 83.5864 65.3064 -2.3019 PRESSAVG: 2370000 20.6092 -38.9862 10.4869 -38.9861 -59.5602 -44.1812 10.4868 -44.1812 16.0669 GPRESSAVG: 2370000 21.6915 -36.7122 14.0287 -38.8765 -59.73 -42.9001 7.92431 -44.1928 15.1783 TIMING: 2370000 CPU: 7144.31, 0.00299004/step Wall: 7144.31, 0.00299004/step, 2.18439 hours remaining, 210.507812 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: 2370000 756.7302 2041.2229 1928.5622 125.7456 -205837.0669 17499.6945 0.0000 0.0000 34169.7241 -149315.3875 298.4127 -183485.1115 -149216.5430 298.9001 -185.1582 -147.9846 557576.5101 -7.6280 -7.6201 PRESSURE: 2370200 -18.5519 -167.166 4.48642 -167.167 62.3678 -131.124 4.48692 -131.124 27.2784 GPRESSURE: 2370200 -10.6717 -120.588 -16.4226 -141.279 84.7271 -106.602 -50.1187 -140.984 89.9739 PRESSAVG: 2370200 51.8286 7.35539 -25.6982 7.35537 -32.0715 -88.6354 -25.6982 -88.6356 20.2919 GPRESSAVG: 2370200 50.4677 7.08432 -26.3835 9.28149 -31.5409 -88.8868 -24.7218 -88.5843 20.3094 TIMING: 2370200 CPU: 7144.9, 0.00298272/step Wall: 7144.9, 0.00298272/step, 2.17888 hours remaining, 210.507812 MB of memory in use. ENERGY: 2370200 723.2912 2054.8128 1933.7531 109.2711 -206042.3025 17748.6261 0.0000 0.0000 34153.0234 -149319.5248 298.2668 -183472.5482 -149222.8449 299.5609 23.6981 54.6764 557214.1668 13.3497 13.0787 PRESSURE: 2370400 -27.0264 -52.2119 -93.4615 -52.212 -56.5799 -368.732 -93.4607 -368.734 217.802 GPRESSURE: 2370400 79.1158 -36.0771 -144.838 -132.092 -33.058 -392.871 -173.891 -317.805 191.491 PRESSAVG: 2370400 34.8609 -37.4298 -33.7156 -37.4298 -22.7211 -134.594 -33.7156 -134.594 38.1984 GPRESSAVG: 2370400 34.7485 -36.7406 -38.1913 -40.1397 -22.8595 -134.333 -33.3501 -134.512 38.3565 TIMING: 2370400 CPU: 7145.5, 0.00298338/step Wall: 7145.5, 0.00298338/step, 2.17919 hours remaining, 210.507812 MB of memory in use. ENERGY: 2370400 750.1159 2045.6209 1935.2059 111.3647 -206529.8765 18022.5487 0.0000 0.0000 34377.0140 -149288.0064 300.2230 -183665.0204 -149193.8184 299.2776 44.7319 79.1829 558052.6288 16.7794 16.7485 PRESSURE: 2370600 9.4709 -59.2554 118.454 -59.2552 -107.283 -253.153 118.453 -253.154 -44.9215 GPRESSURE: 2370600 16.459 -83.1415 154.332 -11.7389 -100.579 -228.552 144.094 -269.497 52.2497 PRESSAVG: 2370600 -22.5176 -50.3207 -23.7909 -50.3207 17.2606 -38.427 -23.791 -38.4271 -31.5976 GPRESSAVG: 2370600 -21.5359 -49.9771 -21.0519 -49.6187 16.4026 -36.7738 -23.3245 -41.3751 -31.496 TIMING: 2370600 CPU: 7146.1, 0.00298668/step Wall: 7146.1, 0.00298668/step, 2.18144 hours remaining, 210.507812 MB of memory in use. ENERGY: 2370600 700.0049 2042.7978 1940.4558 130.0627 -205897.3743 17612.7907 0.0000 0.0000 34370.2833 -149100.9793 300.1642 -183471.2626 -148991.3307 299.7214 -47.5777 -10.6234 559184.5542 -12.2849 -12.2097 PRESSURE: 2370800 79.8627 -63.5404 83.4077 -63.54 123.238 8.79053 83.4075 8.78981 47.1804 GPRESSURE: 2370800 123.068 -106.376 125.769 -21.693 117.456 23.1913 50.5684 -64.764 101.474 PRESSAVG: 2370800 49.1207 -15.9567 -2.08897 -15.9567 -43.8659 -13.7423 -2.08904 -13.7423 -8.56276 GPRESSAVG: 2370800 48.5209 -16.2802 0.172959 -15.6276 -43.5311 -13.2174 -5.54061 -12.2537 -8.96154 TIMING: 2370800 CPU: 7146.69, 0.00298271/step Wall: 7146.69, 0.00298271/step, 2.17837 hours remaining, 210.507812 MB of memory in use. ENERGY: 2370800 766.0245 2047.8777 1947.1066 115.5962 -206171.2895 17976.4279 0.0000 0.0000 34061.0687 -149257.1879 297.4638 -183318.2566 -149161.1917 299.0482 83.4270 113.9993 557999.4212 -1.1027 -1.3239 PRESSURE: 2371000 -71.7129 140.007 -44.2277 140.007 45.9427 18.2508 -44.2264 18.2496 -241.75 GPRESSURE: 2371000 -12.3554 172.591 43.2647 170.722 84.5988 93.3345 -45.39 -38.8777 -241.847 PRESSAVG: 2371000 15.3887 34.5795 -5.96166 34.5795 -12.2925 3.77115 -5.96162 3.77118 9.92897 GPRESSAVG: 2371000 14.1372 34.0404 -7.1845 35.3526 -11.167 1.91759 -1.8928 4.55077 10.6863 TIMING: 2371000 CPU: 7147.29, 0.00297394/step Wall: 7147.29, 0.00297394/step, 2.1718 hours remaining, 210.507812 MB of memory in use. ENERGY: 2371000 740.7436 2034.5849 1935.2205 107.8225 -205810.9327 17637.4018 0.0000 0.0000 34157.8848 -149197.2746 298.3093 -183355.1595 -149102.7212 298.7377 -89.1735 -56.5347 558371.4018 4.3417 4.5522 PRESSURE: 2371200 -56.6992 -39.1587 129.56 -39.1572 -43.2679 188.266 129.562 188.267 -60.2147 GPRESSURE: 2371200 -20.3 -82.7339 95.7362 -17.0891 -18.4075 204.887 121.17 172.15 -12.0334 PRESSAVG: 2371200 -3.14864 -3.91931 7.2356 -3.9194 -2.21509 -25.8645 7.23566 -25.8645 1.38328 GPRESSAVG: 2371200 -1.37801 -2.55432 6.34402 -4.37747 -4.01621 -25.1546 5.93321 -26.5987 1.34825 TIMING: 2371200 CPU: 7147.88, 0.00298347/step Wall: 7147.88, 0.00298347/step, 2.17859 hours remaining, 210.507812 MB of memory in use. ENERGY: 2371200 735.2673 2065.9660 1947.4563 130.7575 -206447.1010 17912.8808 0.0000 0.0000 34478.6467 -149176.1264 301.1106 -183654.7731 -149088.7090 298.7845 -53.3939 -16.9136 558100.9602 -1.3268 -1.3487 PRESSURE: 2371400 -67.7133 -46.3597 20.3802 -46.359 -35.0587 192.028 20.3808 192.027 -86.8181 GPRESSURE: 2371400 -114.461 -128.388 -39.3511 -33.543 34.4767 173.449 36.9678 115.184 -21.534 PRESSAVG: 2371400 60.034 -13.0855 25.2872 -13.0854 -72.1828 13.2605 25.2871 13.2606 32.1579 GPRESSAVG: 2371400 59.6449 -10.9812 26.1826 -13.5742 -72.1454 13.51 24.0191 12.0652 32.2839 TIMING: 2371400 CPU: 7148.48, 0.00297989/step Wall: 7148.48, 0.00297989/step, 2.17582 hours remaining, 210.507812 MB of memory in use. ENERGY: 2371400 727.7566 2052.8725 1917.3014 118.1597 -205963.7068 17648.5134 0.0000 0.0000 34316.8396 -149182.2636 299.6975 -183499.1031 -149085.2578 299.6947 -63.1967 -33.8393 558146.0333 6.6697 6.5945 PRESSURE: 2371600 193.281 -99.163 25.8362 -99.1618 138.472 108.944 25.8343 108.943 206.949 GPRESSURE: 2371600 236.773 -74.7882 69.7225 -66.6533 174.546 49.0954 39.0917 105.936 219.121 PRESSAVG: 2371600 -6.54854 15.87 -6.56814 15.87 71.6912 21.7159 -6.56799 21.7159 -71.4031 GPRESSAVG: 2371600 -5.6623 13.4174 -7.57917 17.1061 71.667 22.823 -3.08302 23.4625 -71.7513 TIMING: 2371600 CPU: 7149.08, 0.0029978/step Wall: 7149.08, 0.0029978/step, 2.18873 hours remaining, 210.507812 MB of memory in use. ENERGY: 2371600 737.3157 2034.4610 1926.5159 99.8172 -206635.5073 18118.5006 0.0000 0.0000 34471.8307 -149247.0662 301.0511 -183718.8969 -149159.5052 298.8322 179.5672 210.1468 557347.1391 -2.0868 -1.9155 PRESSURE: 2371800 225.917 78.7863 -106.764 78.7853 105.722 -48.5351 -106.764 -48.5354 -68.8629 GPRESSURE: 2371800 228.542 65.1454 -202.579 60.2372 139.294 -78.4508 -75.4036 -68.6147 -10.7453 PRESSAVG: 2371800 70.0155 -25.8753 -36.6022 -25.8752 3.23653 -8.11877 -36.6022 -8.11887 -23.521 GPRESSAVG: 2371800 69.1413 -25.2313 -37.5623 -26.3076 3.16111 -10.0118 -40.2886 -9.55685 -22.4929 TIMING: 2371800 CPU: 7149.68, 0.0030097/step Wall: 7149.68, 0.0030097/step, 2.19725 hours remaining, 210.507812 MB of memory in use. ENERGY: 2371800 688.1294 1971.4333 1924.6166 103.5834 -206130.2635 17894.2107 0.0000 0.0000 34380.9181 -149167.3720 300.2571 -183548.2901 -149072.2967 299.3124 87.5920 119.0300 557159.4693 16.5770 16.6032 PRESSURE: 2372000 104.329 50.6776 81.84 50.6793 129.599 128.726 81.8395 128.726 -111.744 GPRESSURE: 2372000 139.674 83.1312 55.3124 58.603 205.581 149.577 85.3108 152.224 -103.153 PRESSAVG: 2372000 3.47255 10.2186 30.5127 10.2187 -12.4535 -29.7079 30.5126 -29.708 -42.345 GPRESSAVG: 2372000 3.5851 11.0301 32.8452 8.80933 -11.2824 -29.6521 31.5457 -28.3497 -42.9418 TIMING: 2372000 CPU: 7150.27, 0.00296609/step Wall: 7150.27, 0.00296609/step, 2.16524 hours remaining, 210.507812 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: 2372000 725.9881 2001.7482 1945.3282 125.0030 -206150.6784 17903.4065 0.0000 0.0000 34267.0827 -149182.1218 299.2630 -183449.2045 -149090.9631 299.2892 40.7280 80.7006 557878.8213 -17.1087 -16.8797 PRESSURE: 2372200 -126.646 69.1717 157.269 69.1712 -12.4476 7.87051 157.27 7.87025 -178.114 GPRESSURE: 2372200 -34.952 105.6 270.33 22.1779 11.5101 11.6426 105.584 31.6338 -184.624 PRESSAVG: 2372200 -0.911401 -38.5844 44.119 -38.5844 36.9764 17.2852 44.1189 17.2852 -41.0725 GPRESSAVG: 2372200 0.215684 -38.3953 44.7898 -38.7579 37.1017 16.6569 43.6548 16.6044 -41.8316 TIMING: 2372200 CPU: 7150.87, 0.0029726/step Wall: 7150.87, 0.0029726/step, 2.16983 hours remaining, 210.507812 MB of memory in use. ENERGY: 2372200 715.3562 2077.7424 1938.7907 116.1977 -205987.5290 17814.4454 0.0000 0.0000 34182.4693 -149142.5274 298.5240 -183324.9967 -149051.0493 299.7631 -105.7361 -69.3554 559069.6091 -1.6692 -1.5047 LDB: ============= START OF LOAD BALANCING ============== 7154.38 LDB: ============== END OF LOAD BALANCING =============== 7154.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7154.39 LDB: ============= START OF LOAD BALANCING ============== 7154.68 LDB: Largest compute 4801 load 0.029768 is 25.2% of average load 0.118025 LDB: Average compute 0.001735 is 1.5% of average load 0.118025 LDB: TIME 7154.69 LOAD: AVG 0.118025 MAX 0.204816 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.227 MB LDB: TIME 7154.69 LOAD: AVG 0.118025 MAX 0.204816 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.43 MB LDB: TIME 7154.69 LOAD: AVG 0.118025 MAX 0.204816 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.43 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7154.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7154.69 PRESSURE: 2372400 6.94123 117.31 39.0784 117.31 92.9226 12.1637 39.0778 12.1614 184.684 GPRESSURE: 2372400 17.5017 47.0994 96.558 151.516 142.549 47.1131 36.8936 8.89053 213.357 PRESSAVG: 2372400 38.8418 35.5759 54.8259 35.5759 89.2362 -17.5867 54.8259 -17.5868 -45.5176 GPRESSAVG: 2372400 37.3174 33.6734 53.7097 37.8836 88.0824 -17.4743 55.6376 -17.0077 -43.3611 TIMING: 2372400 CPU: 7151.48, 0.00304325/step Wall: 7151.48, 0.00304325/step, 2.22123 hours remaining, 210.539062 MB of memory in use. ENERGY: 2372400 744.2610 2028.1670 1913.0238 104.0541 -206705.1462 18113.7128 0.0000 0.0000 34652.0939 -149149.8337 302.6254 -183801.9276 -149051.7125 299.9667 94.8495 124.4695 557657.0858 27.5201 27.3462 PRESSURE: 2372600 -83.7427 44.4947 111.49 44.4933 100.562 53.3572 111.492 53.3581 -85.9108 GPRESSURE: 2372600 -56.8893 50.6606 100.735 148.104 140.375 60.6291 72.7238 117.405 -54.3713 PRESSAVG: 2372600 -33.0812 0.483103 14.1966 0.483082 8.26008 29.8963 14.1966 29.8964 34.4897 GPRESSAVG: 2372600 -31.3239 2.58894 14.5544 -1.46114 7.46607 30.3502 14.3631 30.2393 34.2557 TIMING: 2372600 CPU: 7152.07, 0.0029648/step Wall: 7152.07, 0.0029648/step, 2.16381 hours remaining, 210.742188 MB of memory in use. ENERGY: 2372600 728.7966 2040.4426 1948.4937 110.6282 -205821.0565 17776.4224 0.0000 0.0000 33969.1855 -149247.0875 296.6613 -183216.2730 -149150.4016 299.2717 -23.0303 9.7048 558278.7547 3.2229 3.4659 PRESSURE: 2372800 -348.658 -43.0634 52.1834 -43.0643 -48.9595 -82.8812 52.1816 -82.8815 -413.194 GPRESSURE: 2372800 -261.762 19.41 121.458 -33.0398 -59.5848 -74.9875 48.7215 -79.1327 -403.674 PRESSAVG: 2372800 -27.3541 30.7483 27.4189 30.7483 -0.652931 48.0858 27.4189 48.0858 -25.1387 GPRESSAVG: 2372800 -28.038 29.7283 28.8479 32.048 0.392316 49.4383 26.0309 46.7271 -25.3256 TIMING: 2372800 CPU: 7152.67, 0.00297308/step Wall: 7152.67, 0.00297308/step, 2.16969 hours remaining, 210.742188 MB of memory in use. ENERGY: 2372800 738.1810 1978.2976 1932.3563 109.0832 -205823.4073 17529.2914 0.0000 0.0000 34132.7911 -149403.4065 298.0902 -183536.1977 -149306.7841 298.4603 -270.2707 -241.6733 558596.7426 -17.7153 -17.6571 PRESSURE: 2373000 -188.607 51.5547 4.22173 51.5543 -146.01 106.577 4.22101 106.578 -126.263 GPRESSURE: 2373000 -131.839 27.4465 -112.461 18.0772 -155.782 107.622 2.94949 88.7151 -86.7652 PRESSAVG: 2373000 -3.16808 45.3256 -5.96467 45.3255 46.5207 36.3374 -5.96463 36.3374 -54.2863 GPRESSAVG: 2373000 -2.70869 45.7221 -8.78051 42.9817 45.6688 33.8392 -2.08885 35.9567 -53.4536 TIMING: 2373000 CPU: 7153.25, 0.00294782/step Wall: 7153.25, 0.00294782/step, 2.15109 hours remaining, 210.742188 MB of memory in use. ENERGY: 2373000 747.5823 2080.6893 1936.6906 101.6239 -206037.8264 17691.8348 0.0000 0.0000 34051.0566 -149428.3490 297.3763 -183479.4055 -149326.7613 298.4450 -153.6268 -124.7951 558465.7063 -3.6446 -3.4978 PRESSURE: 2373200 5.49543 -43.7117 80.9573 -43.7113 347.499 12.452 80.9595 12.4507 117.761 GPRESSURE: 2373200 116.203 27.252 104.051 -92.1411 358.263 53.0093 -60.1606 -3.64038 90.0499 PRESSAVG: 2373200 38.4826 -8.55051 -4.61912 -8.55037 20.6635 -49.1542 -4.6191 -49.1542 -17.2742 GPRESSAVG: 2373200 38.3029 -8.96564 -3.01318 -8.55097 21.6786 -48.8391 -6.54725 -48.4765 -17.8272 TIMING: 2373200 CPU: 7153.85, 0.00297615/step Wall: 7153.85, 0.00297615/step, 2.1716 hours remaining, 210.742188 MB of memory in use. ENERGY: 2373200 704.2913 2036.8019 1925.1994 110.0406 -206528.5192 18130.7595 0.0000 0.0000 34176.0225 -149445.4040 298.4677 -183621.4265 -149349.5045 298.2254 156.9186 188.1721 558255.2651 13.9573 14.0514 PRESSURE: 2373400 195.75 180.915 -32.2657 180.915 -31.6307 -190.114 -32.264 -190.114 -331.219 GPRESSURE: 2373400 211.497 165.3 21.8043 130.31 -28.0465 -122.435 -93.2793 -145.081 -274.267 PRESSAVG: 2373400 -7.99383 -36.0658 -56.2875 -36.0656 16.1581 26.9602 -56.2876 26.9602 -8.82912 GPRESSAVG: 2373400 -7.73013 -34.296 -55.6206 -35.5188 14.5485 29.2597 -57.3661 28.3743 -7.26043 TIMING: 2373400 CPU: 7154.44, 0.00296639/step Wall: 7154.44, 0.00296639/step, 2.16431 hours remaining, 210.742188 MB of memory in use. ENERGY: 2373400 755.5538 2072.7131 1928.5022 124.7714 -206518.1878 18026.3091 0.0000 0.0000 34302.4727 -149307.8656 299.5720 -183610.3383 -149208.3160 298.0800 -55.7001 -30.2722 558630.2229 -0.2216 -0.1473 PRESSURE: 2373600 136.442 79.5266 142.045 79.5273 42.1557 -110.048 142.045 -110.047 -68.0195 GPRESSURE: 2373600 150.602 1.86867 157.257 89.2165 106.146 -153.169 43.4925 -104.686 -40.5514 PRESSAVG: 2373600 94.2866 34.3489 -69.592 34.3487 -27.0468 -43.8372 -69.5919 -43.8371 -57.3401 GPRESSAVG: 2373600 93.0798 33.6225 -68.3178 33.722 -25.6642 -48.1019 -69.9878 -45.3221 -58.4352 TIMING: 2373600 CPU: 7155.04, 0.00296725/step Wall: 7155.04, 0.00296725/step, 2.16477 hours remaining, 210.742188 MB of memory in use. ENERGY: 2373600 743.7872 2092.8972 1922.9408 120.3887 -206132.7515 17892.8707 0.0000 0.0000 34063.6864 -149296.1805 297.4866 -183359.8670 -149204.5948 298.7670 36.8594 72.0655 557690.3946 3.2999 2.9935 PRESSURE: 2373800 -56.1948 66.0662 -121.09 66.0675 216.485 -1.96697 -121.091 -1.96774 -145.529 GPRESSURE: 2373800 -47.2689 130.949 -102.851 -8.10995 257.613 -90.5975 -81.8385 121.727 -100.827 PRESSAVG: 2373800 33.8491 -2.80456 -5.27227 -2.80455 36.5515 -7.73321 -5.27238 -7.73319 -48.2358 GPRESSAVG: 2373800 34.5838 -4.10545 -8.29122 -1.40687 35.5156 -5.73512 -3.87416 -8.70894 -47.3359 TIMING: 2373800 CPU: 7155.63, 0.00294543/step Wall: 7155.63, 0.00294543/step, 2.14869 hours remaining, 210.878906 MB of memory in use. ENERGY: 2373800 755.1032 2059.4808 1924.0048 111.6849 -205990.1339 17780.2365 0.0000 0.0000 34217.4903 -149142.1333 298.8299 -183359.6236 -149044.5643 299.2149 4.9204 36.5058 557380.1652 7.3883 7.5878 PRESSURE: 2374000 244.822 -36.21 -19.3697 -36.2094 265.002 -172.884 -19.3708 -172.883 -91.8105 GPRESSURE: 2374000 233.809 18.7833 -43.1172 3.45052 275.895 -125.3 10.2064 -124.641 -2.56982 PRESSAVG: 2374000 43.0101 -13.5272 -65.0367 -13.5272 -27.4427 -29.0833 -65.0368 -29.0832 -31.6747 GPRESSAVG: 2374000 42.4725 -14.565 -63.4387 -14.166 -26.8832 -27.694 -64.6453 -28.8879 -32.1151 TIMING: 2374000 CPU: 7156.22, 0.00296064/step Wall: 7156.22, 0.00296064/step, 2.15962 hours remaining, 210.878906 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: 2374000 759.4633 2107.5820 1923.6807 115.3303 -206579.4172 18099.5017 0.0000 0.0000 34581.5647 -148992.2945 302.0094 -183573.8592 -148895.4322 300.2318 139.3378 169.0447 557756.2425 -5.3691 -5.5086 PRESSURE: 2374200 -158.902 -52.8087 273.126 -52.809 -103.268 -148.236 273.126 -148.236 148.373 GPRESSURE: 2374200 -68.8129 7.72786 307.002 -94.3866 -89.3514 -182.633 215.522 -153.06 143.434 PRESSAVG: 2374200 -35.9198 -24.0132 29.2288 -24.0132 30.0541 -12.4113 29.2287 -12.4113 1.03832 GPRESSAVG: 2374200 -35.1189 -24.39 29.3539 -22.0179 29.6693 -14.168 27.895 -10.3662 0.52373 TIMING: 2374200 CPU: 7156.82, 0.00299535/step Wall: 7156.82, 0.00299535/step, 2.18478 hours remaining, 210.878906 MB of memory in use. ENERGY: 2374200 718.8288 2078.3017 1934.8108 118.7190 -205690.0255 17532.8280 0.0000 0.0000 34382.7700 -148923.7672 300.2733 -183306.5372 -148824.5172 300.5481 -37.9326 -4.9100 558260.6624 -1.6091 -1.6420 PRESSURE: 2374400 117.348 173.67 -9.81116 173.671 -266.597 -131.515 -9.81059 -131.515 -100.13 GPRESSURE: 2374400 167.664 185.007 -33.0051 215.281 -338.91 -150.003 111.359 -217.21 17.3701 PRESSAVG: 2374400 30.5166 3.12378 41.2242 3.1237 -18.9136 -44.226 41.2242 -44.226 14.6177 GPRESSAVG: 2374400 29.4367 6.82681 42.0194 -0.369844 -18.6119 -42.949 41.6619 -48.1344 15.5307 TIMING: 2374400 CPU: 7157.41, 0.002974/step Wall: 7157.41, 0.002974/step, 2.16904 hours remaining, 210.878906 MB of memory in use. ENERGY: 2374400 716.7183 2162.7554 1938.2315 110.3422 -205951.6158 17783.7483 0.0000 0.0000 34130.6273 -149109.1929 298.0713 -183239.8202 -149018.5203 299.4418 -83.1262 -51.2919 560411.4738 8.7402 8.7852 PRESSURE: 2374600 -74.3485 96.1879 70.9769 96.1883 -66.7908 -40.3976 70.9759 -40.3972 -60.2438 GPRESSURE: 2374600 -44.7826 100.862 31.8684 4.7722 -72.8516 -64.4696 53.0469 85.1812 14.9417 PRESSAVG: 2374600 51.7994 -19.3756 39.41 -19.3756 -13.0232 53.8959 39.41 53.8959 19.4788 GPRESSAVG: 2374600 52.9788 -19.2908 38.3342 -18.4376 -12.192 55.4513 39.168 54.9214 17.7104 TIMING: 2374600 CPU: 7158.01, 0.00299744/step Wall: 7158.01, 0.00299744/step, 2.18597 hours remaining, 210.878906 MB of memory in use. ENERGY: 2374600 764.4130 2122.9016 1927.0855 104.2167 -206008.4870 17741.9518 0.0000 0.0000 34369.7975 -148978.1210 300.1600 -183347.9185 -148888.7261 299.4837 -67.1277 -34.2308 559784.3747 19.4183 19.4991 PRESSURE: 2374800 -77.6017 -55.6184 150.194 -55.6192 396.255 155.261 150.192 155.262 209.428 GPRESSURE: 2374800 -47.4206 -87.3146 174.724 -72.9332 439.993 165.479 92.4721 160.931 225.778 PRESSAVG: 2374800 -52.29 0.145749 34.8578 0.145688 33.3312 3.14118 34.8578 3.14126 35.8048 GPRESSAVG: 2374800 -52.1053 -1.31632 34.5433 -0.739333 32.1947 0.525412 34.2252 4.77219 36.1971 TIMING: 2374800 CPU: 7158.61, 0.00298638/step Wall: 7158.61, 0.00298638/step, 2.17774 hours remaining, 210.878906 MB of memory in use. ENERGY: 2374800 725.2023 2082.8105 1940.6722 111.6070 -206254.7475 18137.5133 0.0000 0.0000 34212.6491 -149044.2930 298.7876 -183256.9421 -148951.7499 299.8449 176.0272 206.1168 558654.4696 5.6153 5.4288 PRESSURE: 2375000 -183.12 122.687 -40.4546 122.687 -207.011 37.7157 -40.4549 37.7156 -203.233 GPRESSURE: 2375000 -120.711 199.546 -5.4997 88.4811 -228.747 65.0924 -87.0471 59.4478 -152.235 PRESSAVG: 2375000 -12.3135 47.7669 -45.5122 47.7668 24.2936 0.0820879 -45.5122 0.0819828 -16.3424 GPRESSAVG: 2375000 -11.6733 49.5652 -45.619 49.6355 24.4822 3.4755 -44.3873 -1.08047 -16.6205 TIMING: 2375000 CPU: 7159.21, 0.00298669/step Wall: 7159.21, 0.00298669/step, 2.1778 hours remaining, 210.878906 MB of memory in use. ENERGY: 2375000 783.5760 2058.0125 1923.8725 121.3729 -205787.7181 17666.8191 0.0000 0.0000 34370.6722 -148863.3929 300.1676 -183234.0651 -148763.6905 299.1492 -197.7881 -167.2309 559582.1395 -1.4541 -1.2706 PRESSURE: 2375200 -165.518 1.99407 -118.576 1.99345 -57.6156 -120.68 -118.574 -120.681 -65.3033 GPRESSURE: 2375200 -110.674 29.5898 -176.479 41.6474 -5.83598 -100.413 -95.3758 -129.807 -74.6203 PRESSAVG: 2375200 20.6699 10.4882 -53.1797 10.4882 -17.0616 19.0213 -53.1797 19.0214 -75.9991 GPRESSAVG: 2375200 20.0998 9.2499 -52.9196 11.334 -17.2026 18.2778 -50.4973 19.0677 -74.8451 TIMING: 2375200 CPU: 7159.81, 0.00299894/step Wall: 7159.81, 0.00299894/step, 2.18656 hours remaining, 210.878906 MB of memory in use. ENERGY: 2375200 757.7438 2064.3305 1913.7447 117.6979 -205314.7032 17492.1562 0.0000 0.0000 34144.7312 -148824.2989 298.1944 -182969.0300 -148738.6684 299.4113 -96.1455 -63.7101 559823.5822 -24.1302 -23.9826 PRESSURE: 2375400 262.51 -53.8846 152.036 -53.8847 9.30271 52.924 152.038 52.9245 -61.1165 GPRESSURE: 2375400 262.822 -138.752 55.2088 -81.0533 62.3061 -30.5551 103.366 69.9464 -23.9184 PRESSAVG: 2375400 54.8952 64.6832 -17.6157 64.6832 -21.0951 29.2811 -17.6157 29.2811 -15.5863 GPRESSAVG: 2375400 55.8798 63.6076 -16.2937 64.236 -20.6639 26.8589 -21.7427 31.1556 -17.2692 TIMING: 2375400 CPU: 7160.4, 0.00298187/step Wall: 7160.4, 0.00298187/step, 2.17395 hours remaining, 210.878906 MB of memory in use. ENERGY: 2375400 740.6748 2106.8160 1934.1357 110.9269 -205962.4479 17827.0890 0.0000 0.0000 34217.0181 -149025.7874 298.8257 -183242.8054 -148922.9907 299.7298 70.2321 100.4034 558714.4445 6.0713 5.9822 PRESSURE: 2375600 69.0563 70.6776 -97.0435 70.6779 5.17561 90.5119 -97.0442 90.5118 -100.602 GPRESSURE: 2375600 109.376 19.5935 -120.104 148.083 70.9776 90.507 -16.4976 125.781 -92.1052 PRESSAVG: 2375600 20.0087 7.64438 -3.96945 7.64434 -10.7017 7.01722 -3.96942 7.01717 -52.8387 GPRESSAVG: 2375600 18.6834 6.80675 -5.54985 8.38938 -11.1641 7.32169 -0.577909 7.42125 -51.7958 TIMING: 2375600 CPU: 7161, 0.00300371/step Wall: 7161, 0.00300371/step, 2.1897 hours remaining, 210.878906 MB of memory in use. ENERGY: 2375600 737.7669 2070.0815 1919.3578 105.6816 -205911.5814 17882.6965 0.0000 0.0000 34265.1572 -148930.8399 299.2461 -183195.9971 -148826.9733 299.9813 -8.7899 29.4162 557943.2419 -14.5106 -14.7588 PRESSURE: 2375800 -195.707 71.3809 -76.1373 71.3803 -145.734 135.365 -76.1372 135.365 132.648 GPRESSURE: 2375800 -183.342 163.974 -50.5531 37.7259 -90.5823 165.902 -40.4251 62.8636 161.207 PRESSAVG: 2375800 47.3564 39.6719 26.1006 39.6719 -44.3859 9.02687 26.1005 9.02687 -12.126 GPRESSAVG: 2375800 47.8952 40.7189 26.4346 40.069 -43.5576 9.44288 24.6933 9.18286 -12.6875 TIMING: 2375800 CPU: 7161.6, 0.00298258/step Wall: 7161.6, 0.00298258/step, 2.17414 hours remaining, 210.878906 MB of memory in use. ENERGY: 2375800 757.3092 2072.0570 1952.5569 116.7613 -206033.4669 17753.9357 0.0000 0.0000 34268.7120 -149112.1349 299.2772 -183380.8469 -149019.0767 300.0222 -69.5978 -37.5725 557552.3471 -3.0518 -2.7833 PRESSURE: 2376000 -25.7148 -93.3385 74.1672 -93.3399 -381.937 -111.384 74.1664 -111.383 1.58575 GPRESSURE: 2376000 40.7347 -3.89404 133.748 -75.6359 -397.599 16.3007 57.6361 -216.059 45.4359 PRESSAVG: 2376000 -8.36039 21.3831 -35.1422 21.3831 -6.27837 -25.2974 -35.1421 -25.2975 21.088 GPRESSAVG: 2376000 -7.85239 20.4507 -35.0198 21.4087 -7.30092 -24.5613 -36.9464 -27.8107 21.7201 TIMING: 2376000 CPU: 7162.2, 0.00300404/step Wall: 7162.2, 0.00300404/step, 2.18961 hours remaining, 210.878906 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: 2376000 743.0851 2149.8226 1944.8105 118.8996 -205873.3589 17513.6629 0.0000 0.0000 34252.1941 -149150.8841 299.1329 -183403.0783 -149064.1577 299.7478 -135.3554 -103.8096 556331.0730 2.1497 2.1889 PRESSURE: 2376200 -35.4559 23.4334 20.1938 23.4338 -213.597 -154.6 20.1943 -154.6 97.1633 GPRESSURE: 2376200 83.4725 72.8706 -6.46062 -41.8904 -203.406 -151.444 54.3839 -44.9198 79.8833 PRESSAVG: 2376200 11.8236 -5.29505 45.185 -5.29516 60.3805 -30.2369 45.185 -30.2368 -54.7283 GPRESSAVG: 2376200 11.4082 -6.61276 45.6739 -4.43221 60.4675 -31.068 45.5762 -30.0053 -53.9883 TIMING: 2376200 CPU: 7162.8, 0.00298766/step Wall: 7162.8, 0.00298766/step, 2.1775 hours remaining, 210.878906 MB of memory in use. ENERGY: 2376200 760.3307 2123.9697 1960.9699 114.7143 -206264.6067 17694.9067 0.0000 0.0000 34595.5286 -149014.1867 302.1314 -183609.7154 -148917.7911 299.7897 -50.6298 -13.3500 557220.9022 5.8253 5.9625 LDB: ============= START OF LOAD BALANCING ============== 7166.31 LDB: ============== END OF LOAD BALANCING =============== 7166.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7166.32 LDB: ============= START OF LOAD BALANCING ============== 7166.61 LDB: Largest compute 4801 load 0.029153 is 24.7% of average load 0.118108 LDB: Average compute 0.001734 is 1.5% of average load 0.118108 LDB: TIME 7166.61 LOAD: AVG 0.118108 MAX 0.204059 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.27 MB LDB: TIME 7166.61 LOAD: AVG 0.118108 MAX 0.204059 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.473 MB LDB: TIME 7166.61 LOAD: AVG 0.118108 MAX 0.204059 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.473 MB LDB: ============== END OF LOAD BALANCING =============== 7166.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7166.62 PRESSURE: 2376400 -218.185 128.037 -118.839 128.037 -176.095 217.858 -118.839 217.859 10.456 GPRESSURE: 2376400 -204.534 113.83 -74.4734 72.3019 -161.916 229.355 -99.1434 161.212 86.691 PRESSAVG: 2376400 3.13539 28.2848 -43.7575 28.2848 -13.1575 -14.3807 -43.7574 -14.3808 24.703 GPRESSAVG: 2376400 3.38835 30.261 -44.486 27.9711 -12.6792 -12.0504 -42.929 -15.4885 24.7336 TIMING: 2376400 CPU: 7163.4, 0.00303018/step Wall: 7163.4, 0.00303018/step, 2.20833 hours remaining, 209.199219 MB of memory in use. ENERGY: 2376400 765.3421 2042.4827 1955.0354 118.9810 -205798.7658 17655.3783 0.0000 0.0000 34287.7445 -148973.8018 299.4434 -183261.5462 -148875.5545 300.2069 -127.9415 -93.2531 557901.1265 4.8936 5.1476 PRESSURE: 2376600 324.982 -47.6196 35.4687 -47.6204 -11.5288 74.1002 35.4677 74.1017 -148.635 GPRESSURE: 2376600 395.838 -100.408 -56.4403 -12.2248 3.21279 12.8567 73.5813 77.1822 -127.167 PRESSAVG: 2376600 36.7065 39.5388 -33.7506 39.5388 16.2751 -30.6571 -33.7504 -30.6572 -77.1632 GPRESSAVG: 2376600 36.1996 37.5958 -32.8037 40.3875 16.7889 -32.4666 -32.9786 -27.4204 -77.5183 TIMING: 2376600 CPU: 7164, 0.00299741/step Wall: 7164, 0.00299741/step, 2.18428 hours remaining, 209.199219 MB of memory in use. ENERGY: 2376600 786.5022 2062.7810 1928.1009 112.6613 -206206.4973 17855.4870 0.0000 0.0000 34434.4136 -149026.5513 300.7243 -183460.9649 -148923.7420 299.4461 54.9392 90.6279 555433.2230 -8.0605 -8.1766 PRESSURE: 2376800 39.1023 -104.947 -13.9975 -104.946 28.1614 13.6704 -13.9978 13.6683 126.333 GPRESSURE: 2376800 105.339 -45.7531 -42.3986 -111.038 63.925 -31.6357 8.87593 -17.1596 131.381 PRESSAVG: 2376800 24.2242 -21.7997 -14.9107 -21.7996 -7.60884 -50.9581 -14.9108 -50.9582 12.8945 GPRESSAVG: 2376800 24.6765 -19.6507 -15.8154 -25.8766 -7.79237 -49.5873 -14.9367 -52.6596 11.7356 TIMING: 2376800 CPU: 7164.6, 0.00298248/step Wall: 7164.6, 0.00298248/step, 2.17324 hours remaining, 209.199219 MB of memory in use. ENERGY: 2376800 735.2487 2091.5330 1954.1529 122.1190 -206308.4328 17863.1993 0.0000 0.0000 34419.9966 -149122.1833 300.5984 -183542.1799 -149023.6956 299.6882 64.5322 100.2149 556154.8543 9.8366 9.5399 PRESSURE: 2377000 -165.777 85.7356 -106.196 85.7347 -212.205 151.273 -106.196 151.274 -321.934 GPRESSURE: 2377000 -134.161 53.9525 -201.696 -11.5247 -180.595 -13.8772 -48.5389 187.306 -299.43 PRESSAVG: 2377000 49.3547 -6.26688 -12.8507 -6.26682 9.82916 8.5999 -12.8507 8.59986 -15.8323 GPRESSAVG: 2377000 49.5024 -8.06506 -13.4002 -4.55676 9.2134 7.79536 -12.181 9.26393 -15.3258 TIMING: 2377000 CPU: 7165.2, 0.0029994/step Wall: 7165.2, 0.0029994/step, 2.18539 hours remaining, 209.199219 MB of memory in use. ENERGY: 2377000 733.2314 2080.4062 1961.3323 108.8322 -205960.0887 17582.5532 0.0000 0.0000 34331.1079 -149162.6254 299.8221 -183493.7333 -149061.2993 299.8266 -233.3056 -204.7287 558754.7290 14.4505 14.4633 PRESSURE: 2377200 -33.6493 -2.57547 -75.2911 -2.57598 32.2541 -28.1108 -75.2916 -28.1126 61.4771 GPRESSURE: 2377200 -42.5204 24.1562 -97.2513 33.7114 83.7938 9.52147 -56.3305 -54.4591 110.709 PRESSAVG: 2377200 -0.203795 -36.0881 -10.7638 -36.0881 -4.1805 20.0828 -10.7638 20.0828 -38.7008 GPRESSAVG: 2377200 -0.302901 -34.9476 -10.3015 -36.9996 -3.04692 19.7971 -11.4528 19.1285 -39.9154 TIMING: 2377200 CPU: 7165.8, 0.00299948/step Wall: 7165.8, 0.00299948/step, 2.18529 hours remaining, 209.492188 MB of memory in use. ENERGY: 2377200 740.6339 2101.4049 1935.7950 111.5181 -205813.0085 17647.9235 0.0000 0.0000 34277.5811 -148998.1520 299.3546 -183275.7331 -148898.7176 299.6564 20.0273 50.6609 557534.3084 -14.3617 -14.4217 PRESSURE: 2377400 21.3341 135.428 4.96787 135.43 56.686 -10.8899 4.96782 -10.8885 157.055 GPRESSURE: 2377400 90.2896 43.3737 -52.895 191.283 129.682 8.8062 11.8357 38.7623 125.872 PRESSAVG: 2377400 -42.9104 -35.6867 -25.7376 -35.6867 41.1722 -25.7342 -25.7376 -25.7343 -7.593 GPRESSAVG: 2377400 -42.731 -34.3565 -25.367 -34.5836 41.2614 -25.5453 -26.3564 -26.055 -7.3667 TIMING: 2377400 CPU: 7166.4, 0.00300511/step Wall: 7166.4, 0.00300511/step, 2.18922 hours remaining, 209.492188 MB of memory in use. ENERGY: 2377400 742.9636 2073.8218 1967.8499 119.4545 -206001.4875 17854.8675 0.0000 0.0000 34352.9913 -148889.5388 300.0132 -183242.5301 -148796.3128 299.9583 78.3584 115.2813 558506.3483 -3.1104 -2.9454 PRESSURE: 2377600 -21.8998 82.0363 107.4 82.0367 -10.6623 -22.2558 107.4 -22.2547 165.653 GPRESSURE: 2377600 32.493 94.5066 70.9876 87.2382 38.8309 9.00339 197.893 -37.8448 159.398 PRESSAVG: 2377600 -3.37198 -8.58058 35.988 -8.58064 34.0011 14.8144 35.988 14.8145 4.86372 GPRESSAVG: 2377600 -3.44216 -8.16486 35.0627 -8.00451 33.4517 17.269 36.0348 14.7279 5.95667 TIMING: 2377600 CPU: 7167, 0.00301215/step Wall: 7167, 0.00301215/step, 2.19418 hours remaining, 209.492188 MB of memory in use. ENERGY: 2377600 791.6297 2066.9605 1950.9367 115.0364 -206301.3876 17959.4234 0.0000 0.0000 34375.5634 -149041.8375 300.2103 -183417.4009 -148944.5748 299.5443 44.3636 76.9073 558210.6528 11.8310 11.9887 PRESSURE: 2377800 -57.5068 -98.8782 -72.9704 -98.8797 -132.762 112.71 -72.9702 112.711 -65.1144 GPRESSURE: 2377800 -85.7579 -116.452 -138.86 -53.6521 -65.5345 195.369 -86.9684 95.2277 -9.80068 PRESSAVG: 2377800 22.3859 -14.0016 22.5767 -14.0016 1.49663 16.2966 22.5768 16.2967 -2.8111 GPRESSAVG: 2377800 22.002 -15.0133 23.1454 -12.4212 2.72268 14.0231 22.6946 16.8796 -3.23928 TIMING: 2377800 CPU: 7167.61, 0.00301201/step Wall: 7167.61, 0.00301201/step, 2.19391 hours remaining, 209.492188 MB of memory in use. ENERGY: 2377800 727.3024 2090.5387 1914.2800 127.7598 -205796.3892 17706.8333 0.0000 0.0000 34221.5031 -149008.1719 298.8649 -183229.6750 -148911.4841 300.1509 -85.1277 -53.6977 557458.7583 7.0238 7.1618 PRESSURE: 2378000 -216.899 16.9966 -169.361 16.9963 -116.541 -41.4342 -169.361 -41.4341 -109.302 GPRESSURE: 2378000 -237.286 -55.5377 -153.503 -13.432 -53.2909 -38.2261 -147.49 -60.936 -57.316 PRESSAVG: 2378000 6.87803 -19.4803 -12.643 -19.4804 -28.2119 -25.3707 -12.643 -25.3707 56.0302 GPRESSAVG: 2378000 7.05756 -19.2914 -12.8658 -22.391 -28.3998 -25.3656 -13.1057 -24.6468 56.0138 TIMING: 2378000 CPU: 7168.21, 0.00300032/step Wall: 7168.21, 0.00300032/step, 2.18524 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: 2378000 739.4069 2086.9145 1937.8009 116.0088 -205877.0510 17633.3335 0.0000 0.0000 34171.6336 -149191.9530 298.4294 -183363.5866 -149087.0451 299.8059 -147.5806 -115.9644 558728.1650 11.5654 11.5572 PRESSURE: 2378200 109.831 9.92266 84.5638 9.92311 108.717 -130.374 84.5627 -130.376 -3.76647 GPRESSURE: 2378200 112.36 10.2798 119.868 4.24758 151.608 -115.138 98.4366 -82.2634 51.649 PRESSAVG: 2378200 37.1755 1.3565 -24.8149 1.35654 -93.7063 13.6288 -24.815 13.6289 45.4863 GPRESSAVG: 2378200 37.2158 0.562082 -23.8153 2.73226 -94.9968 13.621 -23.1222 14.1996 46.6141 TIMING: 2378200 CPU: 7168.8, 0.00299575/step Wall: 7168.8, 0.00299575/step, 2.18174 hours remaining, 209.492188 MB of memory in use. ENERGY: 2378200 735.2454 2127.9246 1932.7171 97.4288 -205885.3683 17847.1104 0.0000 0.0000 34142.9908 -149001.9512 298.1792 -183144.9420 -148905.6234 299.0948 71.5938 105.2056 558076.8071 -3.6815 -3.7223 PRESSURE: 2378400 146.295 -59.2013 -73.6203 -59.2011 50.165 -42.3492 -73.6202 -42.348 -221.149 GPRESSURE: 2378400 188.812 -63.3033 -42.3551 -112.685 100.21 -28.2903 -96.473 -22.1859 -216.672 PRESSAVG: 2378400 12.9528 -52.9999 22.138 -52.9998 31.2312 -29.4218 22.138 -29.4219 -35.7102 GPRESSAVG: 2378400 13.9117 -50.72 24.0336 -55.3741 31.2595 -29.6594 21.497 -28.2579 -36.6664 TIMING: 2378400 CPU: 7169.4, 0.00299286/step Wall: 7169.4, 0.00299286/step, 2.17947 hours remaining, 209.492188 MB of memory in use. ENERGY: 2378400 748.3626 2042.4450 1943.0920 107.8660 -206121.8462 17768.3733 0.0000 0.0000 34470.6803 -149041.0271 301.0410 -183511.7073 -148942.9088 299.3161 -8.2298 24.1167 558391.4789 2.8246 2.8349 PRESSURE: 2378600 -131.66 31.1712 12.3022 31.171 -288.249 129.103 12.3007 129.103 -135.232 GPRESSURE: 2378600 -44.0861 -71.3654 -31.9952 53.1324 -279.086 139.84 17.0711 135.283 -140.854 PRESSAVG: 2378600 48.3553 11.8547 19.3764 11.8546 21.362 -2.1745 19.3764 -2.17447 -40.7271 GPRESSAVG: 2378600 48.3362 11.1509 16.5654 12.252 21.5335 -1.20695 19.7696 -4.32995 -41.6487 TIMING: 2378600 CPU: 7170, 0.00297024/step Wall: 7170, 0.00297024/step, 2.16283 hours remaining, 209.492188 MB of memory in use. ENERGY: 2378600 760.6530 2132.3963 1946.5801 112.0467 -205498.5402 17454.1858 0.0000 0.0000 34106.3767 -148986.3016 297.8595 -183092.6783 -148886.0413 299.5684 -185.0470 -154.6755 558473.2944 9.6634 9.4070 PRESSURE: 2378800 -229.699 -44.9772 -125.384 -44.9778 192.832 -92.7713 -125.384 -92.7717 -182.922 GPRESSURE: 2378800 -223.868 -72.1256 -67.7036 -38.2122 182.613 -189.754 -167.872 77.7382 -73.9367 PRESSAVG: 2378800 -30.7011 24.7602 54.7821 24.7602 44.299 9.9481 54.7821 9.94809 26.3128 GPRESSAVG: 2378800 -31.5526 25.714 54.8689 24.0073 45.0495 9.29801 54.7896 11.1889 26.3424 TIMING: 2378800 CPU: 7170.6, 0.00299914/step Wall: 7170.6, 0.00299914/step, 2.18371 hours remaining, 209.492188 MB of memory in use. ENERGY: 2378800 758.2443 2052.0927 1946.8827 120.8766 -206162.0305 17747.6555 0.0000 0.0000 34395.4490 -149140.8298 300.3840 -183536.2788 -149043.0582 299.9371 -73.2632 -38.3971 557708.6078 13.3036 13.2798 PRESSURE: 2379000 16.1421 28.6706 86.9378 28.6712 144.401 165.607 86.937 165.607 160.841 GPRESSURE: 2379000 87.2631 -64.6105 226.808 25.5584 166.135 137.607 100.498 161.696 166.119 PRESSAVG: 2379000 -46.3523 -29.7083 -51.8551 -29.7083 -38.0444 27.5836 -51.8551 27.5836 124.129 GPRESSAVG: 2379000 -45.7094 -31.6049 -50.1726 -28.8508 -39.0051 27.3339 -53.0709 27.1688 124.599 TIMING: 2379000 CPU: 7171.2, 0.00299634/step Wall: 7171.2, 0.00299634/step, 2.1815 hours remaining, 209.492188 MB of memory in use. ENERGY: 2379000 748.4193 2119.1068 1944.0077 103.3769 -206243.7094 17883.4535 0.0000 0.0000 34437.8908 -149007.4544 300.7547 -183445.3451 -148909.3681 300.2599 107.1284 139.8393 556203.0419 13.2443 13.2947 PRESSURE: 2379200 139.428 155.277 -109.153 155.276 198.753 -61.6943 -109.154 -61.6943 7.42491 GPRESSURE: 2379200 152.766 148.189 -63.2303 175.136 248.144 -95.341 -133.891 -37.971 40.316 PRESSAVG: 2379200 22.26 39.7809 43.4815 39.7809 0.253456 -0.21721 43.4815 -0.217198 13.3327 GPRESSAVG: 2379200 22.0491 39.2901 42.4425 40.9447 0.443897 -0.622721 44.5538 1.53358 13.5122 TIMING: 2379200 CPU: 7171.79, 0.00297505/step Wall: 7171.79, 0.00297505/step, 2.16584 hours remaining, 209.492188 MB of memory in use. ENERGY: 2379200 759.8176 2111.8715 1931.5047 117.0829 -206278.7137 18010.7633 0.0000 0.0000 34415.2356 -148932.4381 300.5568 -183347.6737 -148836.5288 299.9986 115.2020 147.0753 556946.0174 11.9487 12.0017 PRESSURE: 2379400 158.832 36.3485 22.5749 36.3478 -9.71225 111.605 22.575 111.605 194.172 GPRESSURE: 2379400 208.932 -0.462597 -31.8541 -5.9521 -29.133 32.4253 108.27 56.4511 268.95 PRESSAVG: 2379400 10.0938 -25.6341 10.6935 -25.6342 15.1837 7.06739 10.6934 7.0673 20.2523 GPRESSAVG: 2379400 9.45239 -25.7759 9.7882 -25.2113 16.2771 6.97353 11.9437 6.60386 20.3689 TIMING: 2379400 CPU: 7172.39, 0.00298425/step Wall: 7172.39, 0.00298425/step, 2.17237 hours remaining, 209.492188 MB of memory in use. ENERGY: 2379400 735.4260 2124.2760 1944.0072 116.7663 -206191.0735 17909.1767 0.0000 0.0000 34429.7829 -148931.6385 300.6839 -183361.4213 -148834.2340 300.1437 114.4303 149.5831 557360.3735 15.1766 15.3661 PRESSURE: 2379600 -285.955 -61.6013 17.3169 -61.6015 -379.565 46.673 17.3164 46.6726 -60.6743 GPRESSURE: 2379600 -207.838 20.409 28.2601 -174.698 -415.122 19.2227 9.91713 154.343 3.54315 PRESSAVG: 2379600 -22.2427 47.6487 29.8644 47.6488 18.5297 23.7944 29.8644 23.7944 28.5919 GPRESSAVG: 2379600 -21 48.4924 32.1363 46.3491 18.1764 24.7867 28.9624 22.3555 27.9732 TIMING: 2379600 CPU: 7172.99, 0.00300612/step Wall: 7172.99, 0.00300612/step, 2.18812 hours remaining, 209.492188 MB of memory in use. ENERGY: 2379600 774.5072 2086.9182 1939.4090 115.0008 -205906.2615 17458.7637 0.0000 0.0000 34547.0365 -148984.6262 301.7079 -183531.6627 -148887.0718 299.9851 -242.0648 -206.4724 558014.9342 8.2930 8.3832 PRESSURE: 2379800 254.765 153.097 -63.907 153.098 -170.606 -95.9011 -63.9062 -95.8994 99.8028 GPRESSURE: 2379800 264.865 100.661 -85.3595 148.171 -125.462 -24.6641 -81.5679 -179.026 136.695 PRESSAVG: 2379800 -16.0742 -13.6825 -2.10237 -13.6826 -13.9845 9.54724 -2.1024 9.54729 33.1008 GPRESSAVG: 2379800 -15.5636 -12.9317 -4.33534 -13.6686 -15.0492 10.4371 -3.38337 8.21844 34.0071 TIMING: 2379800 CPU: 7173.59, 0.00299426/step Wall: 7173.59, 0.00299426/step, 2.17932 hours remaining, 209.492188 MB of memory in use. ENERGY: 2379800 764.3396 2104.6379 1925.9861 117.5838 -206120.3477 17842.1100 0.0000 0.0000 34160.0198 -149205.6703 298.3279 -183365.6901 -149107.8906 299.6059 61.3206 92.0328 555200.1808 1.0140 1.1314 PRESSURE: 2380000 39.4093 54.9562 -21.0752 54.9544 -62.4335 242.362 -21.0751 242.361 -438.77 GPRESSURE: 2380000 40.4217 48.5707 -67.5035 -9.36504 24.9401 215.192 -93.225 125.54 -419.839 PRESSAVG: 2380000 -2.27879 -1.86237 -10.4588 -1.86238 -40.2985 -4.07103 -10.4587 -4.07096 12.5704 GPRESSAVG: 2380000 -2.67241 -3.48794 -9.17618 -0.956113 -38.5582 -5.48719 -10.7361 -4.04278 11.1757 TIMING: 2380000 CPU: 7174.18, 0.00297515/step Wall: 7174.18, 0.00297515/step, 2.16525 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: 2380000 760.4265 2100.0663 1932.5058 124.6457 -205923.1385 17614.0959 0.0000 0.0000 34242.8697 -149148.5286 299.0515 -183391.3983 -149045.9838 299.7690 -153.9313 -118.1591 558255.5919 -10.0023 -10.0183 PRESSURE: 2380200 -154.76 -96.7164 25.1584 -96.7173 -411.372 119.051 25.1593 119.05 -286.4 GPRESSURE: 2380200 -152.795 -127.341 -22.2411 -89.9156 -385.963 137.513 -35.4885 97.2832 -217.086 PRESSAVG: 2380200 1.65286 -31.6951 5.37178 -31.6952 -35.564 57.4878 5.37182 57.4878 -16.6672 GPRESSAVG: 2380200 2.12208 -31.9222 2.05391 -32.2499 -35.2988 57.454 7.90049 57.8359 -17.3438 TIMING: 2380200 CPU: 7174.79, 0.00301208/step Wall: 7174.79, 0.00301208/step, 2.19196 hours remaining, 209.492188 MB of memory in use. ENERGY: 2380200 725.9246 2141.3090 1910.5209 114.8032 -205810.8133 17428.8501 0.0000 0.0000 34278.4609 -149210.9446 299.3623 -183489.4055 -149116.3628 299.1116 -284.1773 -251.9481 558023.9118 -16.8594 -16.8402 LDB: ============= START OF LOAD BALANCING ============== 7178.31 LDB: ============== END OF LOAD BALANCING =============== 7178.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7178.31 LDB: ============= START OF LOAD BALANCING ============== 7178.61 LDB: Largest compute 4800 load 0.029613 is 25.1% of average load 0.118081 LDB: Average compute 0.001733 is 1.5% of average load 0.118081 LDB: TIME 7178.61 LOAD: AVG 0.118081 MAX 0.206903 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.258 MB LDB: TIME 7178.61 LOAD: AVG 0.118081 MAX 0.206903 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.461 MB LDB: TIME 7178.61 LOAD: AVG 0.118081 MAX 0.206903 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.461 MB LDB: ============== END OF LOAD BALANCING =============== 7178.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7178.62 PRESSURE: 2380400 12.236 64.7537 -83.2857 64.7539 -59.7383 -13.3744 -83.2869 -13.3749 190.527 GPRESSURE: 2380400 58.478 34.5382 -127.208 68.9911 0.89387 -16.7449 -38.7669 14.4699 186.561 PRESSAVG: 2380400 -0.854939 -4.05948 -19.226 -4.05951 -19.7996 68.1418 -19.2259 68.1417 -15.5398 GPRESSAVG: 2380400 -0.949638 -2.39958 -17.6424 -4.48903 -20.207 67.7642 -19.4466 69.1758 -15.4718 TIMING: 2380400 CPU: 7175.4, 0.00308874/step Wall: 7175.4, 0.00308874/step, 2.24757 hours remaining, 209.886719 MB of memory in use. ENERGY: 2380400 773.6294 2101.8525 1948.1131 110.3251 -206038.6363 17842.4950 0.0000 0.0000 34162.2210 -149100.0002 298.3472 -183262.2212 -149003.2501 300.2222 47.6750 81.9776 557636.1950 -12.0648 -12.2095 PRESSURE: 2380600 19.0344 89.5888 -77.1365 89.5877 -82.5174 -56.8448 -77.1366 -56.8479 -232.747 GPRESSURE: 2380600 57.794 13.9875 -29.521 131.457 -45.8277 -106.499 -78.3161 -29.5618 -195.993 PRESSAVG: 2380600 32.4565 1.2872 20.599 1.28727 -47.3772 23.6245 20.599 23.6245 -5.05658 GPRESSAVG: 2380600 32.4027 -1.63592 21.2984 3.28548 -48.5452 24.3092 18.1615 21.9349 -3.78872 TIMING: 2380600 CPU: 7176, 0.00300062/step Wall: 7176, 0.00300062/step, 2.18328 hours remaining, 210.089844 MB of memory in use. ENERGY: 2380600 750.4855 2082.4546 1941.1401 121.9680 -205835.8707 17680.1611 0.0000 0.0000 34061.9057 -149197.7557 297.4711 -183259.6613 -149096.4546 299.8864 -98.7433 -61.3422 557392.9984 -6.6591 -6.6437 PRESSURE: 2380800 62.7671 32.712 134.125 32.7115 -70.3379 -18.5909 134.125 -18.5915 -41.2691 GPRESSURE: 2380800 81.7774 60.6145 173.162 -14.3652 -56.7752 -24.0561 178.541 -58.677 29.3183 PRESSAVG: 2380800 42.7341 24.0586 -21.6806 24.0586 -37.5091 49.892 -21.6806 49.892 2.92745 GPRESSAVG: 2380800 43.8442 26.0599 -22.2626 22.0947 -37.2638 50.0159 -21.0023 50.0635 2.3335 TIMING: 2380800 CPU: 7176.6, 0.00300402/step Wall: 7176.6, 0.00300402/step, 2.18559 hours remaining, 210.089844 MB of memory in use. ENERGY: 2380800 738.2317 2072.7282 1931.5683 109.5922 -206228.2337 17948.8293 0.0000 0.0000 34239.8264 -149187.4576 299.0249 -183427.2840 -149086.7554 298.7372 -16.2799 18.1068 557175.2036 2.7175 2.9713 PRESSURE: 2381000 4.84287 -74.4284 -107.323 -74.4272 -80.2323 -58.0939 -107.323 -58.0936 -15.668 GPRESSURE: 2381000 -13.794 -66.0699 -161.825 -94.4461 -1.58093 -11.5287 -156.169 -95.6716 25.9804 PRESSAVG: 2381000 20.6111 -13.5232 -12.961 -13.5232 -10.3687 9.96968 -12.961 9.96967 7.7478 GPRESSAVG: 2381000 18.4967 -12.6736 -14.5957 -12.2924 -8.86258 9.61464 -11.7508 11.0115 7.75972 TIMING: 2381000 CPU: 7177.21, 0.00300519/step Wall: 7177.21, 0.00300519/step, 2.18627 hours remaining, 210.089844 MB of memory in use. ENERGY: 2381000 719.7981 2054.4033 1952.5638 91.7686 -206301.2684 17870.9781 0.0000 0.0000 34307.6520 -149304.1045 299.6173 -183611.7564 -149208.1927 299.3652 -30.3525 3.5352 558066.5547 5.9967 5.7979 PRESSURE: 2381200 211.174 -18.5622 45.411 -18.5619 0.89215 -66.8746 45.4104 -66.8731 177.741 GPRESSURE: 2381200 228.877 3.86787 18.174 27.5597 28.035 -59.0155 42.0937 -134.23 227.241 PRESSAVG: 2381200 -39.0618 9.62987 12.1842 9.62977 -48.8202 -47.1474 12.1842 -47.1472 83.5882 GPRESSAVG: 2381200 -37.7723 9.42805 13.7015 9.12642 -50.94 -46.4222 10.1759 -48.2909 84.3349 TIMING: 2381200 CPU: 7177.8, 0.00297389/step Wall: 7177.8, 0.00297389/step, 2.16334 hours remaining, 210.089844 MB of memory in use. ENERGY: 2381200 730.1190 2072.4345 1942.2460 102.4395 -206495.1745 17909.9227 0.0000 0.0000 34193.7360 -149544.2768 298.6224 -183738.0129 -149440.4817 298.9679 129.9358 161.3842 555401.9097 -1.4313 -1.4592 PRESSURE: 2381400 -64.9149 -66.4114 -18.4132 -66.4116 -144.055 23.5645 -18.4131 23.5638 -47.6825 GPRESSURE: 2381400 -54.5088 -139.365 -30.9602 -12.9447 -68.1913 -26.9693 -53.5028 -29.819 -38.2675 PRESSAVG: 2381400 -14.3366 -27.534 -28.5475 -27.534 35.257 5.15519 -28.5476 5.15519 8.55119 GPRESSAVG: 2381400 -14.0766 -27.5264 -27.6698 -27.7411 36.9406 6.23905 -28.6274 4.5807 6.40666 TIMING: 2381400 CPU: 7178.4, 0.00299914/step Wall: 7178.4, 0.00299914/step, 2.18154 hours remaining, 210.089844 MB of memory in use. ENERGY: 2381400 719.5481 2063.0628 1981.0545 125.1172 -206263.5905 17634.8163 0.0000 0.0000 34146.6586 -149593.3330 298.2113 -183739.9916 -149502.6247 298.4189 -85.5507 -53.6558 557030.6288 9.8239 9.7569 PRESSURE: 2381600 44.3252 71.7304 82.5437 71.7292 -157.462 -29.4731 82.5439 -29.472 104.43 GPRESSURE: 2381600 124.804 136.543 6.35024 -38.0382 -142.96 -38.7688 117.795 38.7296 99.584 PRESSAVG: 2381600 -22.3597 -21.2507 16.4162 -21.2507 24.2028 -13.2452 16.4162 -13.2453 23.5875 GPRESSAVG: 2381600 -22.5639 -21.6946 14.8753 -19.3992 24.1336 -12.8197 16.8731 -12.4154 24.1025 TIMING: 2381600 CPU: 7179, 0.00300217/step Wall: 7179, 0.00300217/step, 2.18358 hours remaining, 210.089844 MB of memory in use. ENERGY: 2381600 710.5427 2083.6319 1945.1186 105.4355 -206777.2234 17875.6055 0.0000 0.0000 34576.6572 -149480.2319 301.9665 -184056.8891 -149384.2729 299.2202 -2.9021 27.1427 555533.0988 8.4769 8.5574 PRESSURE: 2381800 -124.147 185.668 -132.094 185.666 -61.9763 27.6444 -132.095 27.6441 -41.0248 GPRESSURE: 2381800 -78.149 209.235 -83.9677 115.259 -25.6571 -59.3084 -141.218 35.8627 -20.3232 PRESSAVG: 2381800 -9.62079 15.3787 -54.7612 15.3786 -28.8527 19.3817 -54.7612 19.3817 5.89833 GPRESSAVG: 2381800 -10.1296 16.817 -54.3155 13.4242 -29.6976 16.6841 -54.9848 20.4992 6.93105 TIMING: 2381800 CPU: 7179.6, 0.00300824/step Wall: 7179.6, 0.00300824/step, 2.18783 hours remaining, 210.089844 MB of memory in use. ENERGY: 2381800 751.0082 2113.7746 1923.6056 116.3556 -206471.5005 17728.3604 0.0000 0.0000 34265.3853 -149573.0108 299.2481 -183838.3961 -149481.4408 298.6181 -75.7160 -41.3764 557853.3732 -10.8584 -10.9654 PRESSURE: 2382000 -162.989 191.489 -9.85216 191.49 -97.8639 71.7898 -9.85261 71.792 -126.567 GPRESSURE: 2382000 -149.45 117.705 -10.2342 213.807 -66.1765 66.1124 17.7106 179.253 -69.9797 PRESSAVG: 2382000 -14.4057 35.9707 -18.0852 35.9707 -40.135 42.0296 -18.0853 42.0295 24.8807 GPRESSAVG: 2382000 -13.5478 32.6715 -16.4138 37.962 -39.7352 43.4729 -18.0941 41.2437 23.7009 TIMING: 2382000 CPU: 7180.21, 0.00302443/step Wall: 7180.21, 0.00302443/step, 2.19943 hours remaining, 210.089844 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: 2382000 706.4623 2061.6675 1946.7851 96.8271 -206018.4159 17498.1052 0.0000 0.0000 34181.2654 -149527.3033 298.5135 -183708.5687 -149429.0056 298.3603 -129.1398 -95.2022 558473.5570 -9.8867 -9.8607 PRESSURE: 2382200 -39.5869 -64.2423 55.6274 -64.2414 -129.397 -30.701 55.6267 -30.701 -315.922 GPRESSURE: 2382200 3.02233 -66.6028 -20.8349 -150.035 -61.2997 -85.8215 32.3034 25.9652 -334.103 PRESSAVG: 2382200 -10.1536 40.2366 -27.0351 40.2366 -85.3834 -22.6045 -27.0351 -22.6045 81.9998 GPRESSAVG: 2382200 -12.5289 40.6657 -29.6088 38.6507 -84.2607 -22.0974 -26.3768 -22.6735 82.6782 TIMING: 2382200 CPU: 7180.81, 0.0030271/step Wall: 7180.81, 0.0030271/step, 2.2012 hours remaining, 210.089844 MB of memory in use. ENERGY: 2382200 721.0555 2060.0756 1905.1917 116.7810 -205948.1812 17529.5392 0.0000 0.0000 34286.7567 -149328.7814 299.4348 -183615.5381 -149233.2075 298.5386 -161.6354 -130.7934 557377.4866 -4.5124 -4.7038 PRESSURE: 2382400 -89.0645 104.71 73.8923 104.708 142.958 -37.8893 73.8921 -37.8893 98.3509 GPRESSURE: 2382400 -56.608 97.1018 47.1123 172.556 122.274 -102.3 88.5196 -27.2283 181.5 PRESSAVG: 2382400 -60.566 23.2453 -55.3592 23.2452 22.0882 12.0483 -55.3593 12.0483 39.0681 GPRESSAVG: 2382400 -59.9214 22.8606 -54.5891 22.3223 21.7653 13.4532 -55.3601 11.3565 38.9173 TIMING: 2382400 CPU: 7181.42, 0.00302772/step Wall: 7181.42, 0.00302772/step, 2.20149 hours remaining, 210.089844 MB of memory in use. ENERGY: 2382400 697.9293 2016.4582 1941.5770 111.0877 -206177.5254 17787.9419 0.0000 0.0000 34297.9217 -149324.6096 299.5323 -183622.5313 -149227.8142 299.1632 50.7483 82.3887 556782.6498 0.1968 0.2537 PRESSURE: 2382600 -135.923 37.8439 -146.429 37.8441 -269.447 -51.7855 -146.429 -51.7851 16.6248 GPRESSURE: 2382600 -131.598 86.7551 -145.32 -55.4068 -221.193 -20.8127 -180.545 18.6315 60.8173 PRESSAVG: 2382600 -89.1206 -33.8823 -22.0853 -33.8823 -14.9076 14.5749 -22.0853 14.5748 120.036 GPRESSAVG: 2382600 -88.9434 -32.7727 -20.917 -32.2634 -14.9875 14.2098 -22.1574 12.9786 119.951 TIMING: 2382600 CPU: 7182.02, 0.00302323/step Wall: 7182.02, 0.00302323/step, 2.19806 hours remaining, 210.089844 MB of memory in use. ENERGY: 2382600 712.9704 2050.7902 1903.9552 108.0182 -205608.9561 17375.9836 0.0000 0.0000 34101.6196 -149355.6190 297.8179 -183457.2385 -149259.5381 299.1801 -129.5818 -97.3244 557965.1283 5.3360 5.3402 PRESSURE: 2382800 -18.0788 51.9254 -86.2248 51.9261 245.244 166.619 -86.2257 166.618 -381.053 GPRESSURE: 2382800 6.65508 122.222 -14.7228 14.8542 269.118 151.124 -146.721 185.075 -333.59 PRESSAVG: 2382800 33.6849 -0.537719 -31.0559 -0.537689 -54.486 -13.0768 -31.056 -13.0768 11.8233 GPRESSAVG: 2382800 32.8417 2.36854 -31.9225 -2.5651 -55.133 -14.8098 -30.5287 -9.49436 13.3904 TIMING: 2382800 CPU: 7182.63, 0.00302037/step Wall: 7182.63, 0.00302037/step, 2.19581 hours remaining, 210.089844 MB of memory in use. ENERGY: 2382800 794.3809 2029.2398 1923.2996 109.8963 -206449.5068 17940.3248 0.0000 0.0000 34280.2665 -149372.0988 299.3781 -183652.3653 -149280.8679 298.5070 -51.2962 -19.2723 557114.7593 -2.9926 -2.9670 PRESSURE: 2383000 209.349 45.2355 -123.366 45.2353 216.684 26.1703 -123.366 26.1692 -104.067 GPRESSURE: 2383000 205.608 -38.7039 -137.679 118.755 274.033 88.7064 -19.1902 -7.55613 -57.9738 PRESSAVG: 2383000 -17.4943 15.0914 -30.1771 15.0914 56.6236 5.04751 -30.1772 5.04754 25.1015 GPRESSAVG: 2383000 -16.9745 14.8756 -28.7586 15.0339 57.7976 6.66096 -30.457 3.02372 23.669 TIMING: 2383000 CPU: 7183.23, 0.0030359/step Wall: 7183.23, 0.0030359/step, 2.20693 hours remaining, 210.089844 MB of memory in use. ENERGY: 2383000 755.7596 2120.7218 1926.6267 111.9347 -206568.3489 18010.3432 0.0000 0.0000 34300.3130 -149342.6500 299.5532 -183642.9630 -149242.2728 298.6748 107.3220 140.5557 556964.4681 21.4103 21.4974 PRESSURE: 2383200 -34.5628 -98.0931 117 -98.0932 -321.193 -57.9659 117 -57.964 -94.5191 GPRESSURE: 2383200 -5.54504 -116.457 129.36 -88.9736 -253.245 -53.5113 83.7097 -12.3041 -101.853 PRESSAVG: 2383200 14.5701 -15.3377 1.54693 -15.3376 -39.5043 16.3776 1.54697 16.3777 24.1385 GPRESSAVG: 2383200 15.0131 -17.3717 -1.10999 -13.2167 -39.9411 17.1378 2.19237 15.1852 23.9932 TIMING: 2383200 CPU: 7183.84, 0.00303158/step Wall: 7183.84, 0.00303158/step, 2.20362 hours remaining, 210.089844 MB of memory in use. ENERGY: 2383200 702.0289 2120.1432 1935.3677 113.8774 -205870.2344 17311.4383 0.0000 0.0000 34371.3501 -149316.0289 300.1735 -183687.3790 -149222.7975 298.8358 -150.0916 -120.2145 556863.9577 -0.2653 -0.3116 PRESSURE: 2383400 -12.9605 -121.075 56.1403 -121.077 23.693 -24.9052 56.1401 -24.9044 33.0624 GPRESSURE: 2383400 42.0677 -125.977 3.87098 -127.343 37.4127 -99.9875 105.84 -38.5868 81.6741 PRESSAVG: 2383400 -31.8281 -19.4451 41.8675 -19.4449 33.8723 -33.6811 41.8675 -33.681 20.5806 GPRESSAVG: 2383400 -32.2884 -18.2572 42.1685 -21.6043 34.88 -34.9445 40.7175 -31.9037 19.6253 TIMING: 2383400 CPU: 7184.44, 0.00302023/step Wall: 7184.44, 0.00302023/step, 2.1952 hours remaining, 210.089844 MB of memory in use. ENERGY: 2383400 774.1664 2073.1219 1942.1804 112.4309 -206415.8809 17870.5771 0.0000 0.0000 34247.4329 -149395.9714 299.0913 -183643.4043 -149307.2044 298.3285 14.5983 53.7181 556856.9214 7.5416 7.4056 PRESSURE: 2383600 31.59 -98.2989 170.045 -98.2992 145.703 -72.1143 170.045 -72.1147 -8.12585 GPRESSURE: 2383600 64.85 19.4132 145.347 -100.255 137.36 -88.4212 177.821 -9.48424 66.0746 PRESSAVG: 2383600 13.9014 -42.6561 40.7534 -42.6561 33.1106 15.845 40.7533 15.8451 -45.8141 GPRESSAVG: 2383600 13.4178 -41.2036 43.8349 -41.2893 31.8138 16.6601 39.999 14.9276 -44.0864 TIMING: 2383600 CPU: 7185.05, 0.00301719/step Wall: 7185.05, 0.00301719/step, 2.19283 hours remaining, 210.089844 MB of memory in use. ENERGY: 2383600 721.1040 2049.6188 1981.2364 106.7379 -206561.3034 18062.1929 0.0000 0.0000 34171.1633 -149469.2501 298.4253 -183640.4134 -149375.4281 298.2760 56.3892 89.4283 556729.4527 0.3993 0.3817 PRESSURE: 2383800 -76.0045 77.6418 1.0589 77.6418 -162.829 77.3593 1.0601 77.3604 -141.527 GPRESSURE: 2383800 -87.3344 15.8429 13.5707 82.2208 -106.056 73.7662 -39.7316 15.5298 -79.927 PRESSAVG: 2383800 22.1698 -13.1268 34.9515 -13.1269 32.269 6.68879 34.9515 6.68875 -15.8927 GPRESSAVG: 2383800 21.4025 -15.0767 35.7871 -13.8889 33.2901 6.32658 34.3185 8.12566 -15.5579 TIMING: 2383800 CPU: 7185.65, 0.00299641/step Wall: 7185.65, 0.00299641/step, 2.17755 hours remaining, 210.089844 MB of memory in use. ENERGY: 2383800 734.3134 2041.0296 1908.0023 111.1770 -206170.2171 17692.0657 0.0000 0.0000 34247.7035 -149435.9256 299.0937 -183683.6291 -149338.1119 298.7364 -126.7868 -91.1058 557010.5577 12.8487 13.0449 PRESSURE: 2384000 199.796 18.2706 95.8339 18.2706 153.982 56.7784 95.8338 56.7788 -87.1011 GPRESSURE: 2384000 212.295 71.3879 111.025 13.5485 212.687 86.6374 136.525 4.04196 -62.0255 PRESSAVG: 2384000 2.39345 19.6611 1.82479 19.661 24.0001 39.0779 1.82482 39.078 -10.5251 GPRESSAVG: 2384000 3.0889 18.8389 -1.93192 20.5218 23.8079 39.7935 4.33705 37.076 -11.5049 TIMING: 2384000 CPU: 7186.25, 0.00302395/step Wall: 7186.25, 0.00302395/step, 2.1974 hours remaining, 210.089844 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: 2384000 720.8232 2067.1086 1948.1160 120.8770 -206374.0886 17858.4668 0.0000 0.0000 34271.3948 -149387.3021 299.3006 -183658.6969 -149288.0599 298.3719 88.8923 120.9858 557092.8277 5.2895 5.1306 PRESSURE: 2384200 -55.9222 -77.5205 -74.2638 -77.5214 -43.2813 28.5052 -74.2625 28.5039 -350.916 GPRESSURE: 2384200 -49.8127 -101.308 -5.32805 -26.6264 -4.81018 -43.3681 -141.215 96.6806 -309.082 PRESSAVG: 2384200 -1.99343 -8.92806 -7.58378 -8.92806 43.755 12.7842 -7.58379 12.7842 -35.4274 GPRESSAVG: 2384200 -1.3116 -6.23772 -6.18665 -9.39762 43.7469 12.2512 -8.61857 14.74 -36.0403 TIMING: 2384200 CPU: 7186.85, 0.00301204/step Wall: 7186.85, 0.00301204/step, 2.18858 hours remaining, 210.089844 MB of memory in use. ENERGY: 2384200 755.3518 2133.1719 1944.2667 117.0987 -206265.2220 17776.4090 0.0000 0.0000 34101.9007 -149437.0233 297.8204 -183538.9240 -149337.9258 298.9775 -150.0398 -121.2348 558501.7563 2.1114 2.1317 LDB: ============= START OF LOAD BALANCING ============== 7190.37 LDB: ============== END OF LOAD BALANCING =============== 7190.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7190.37 LDB: ============= START OF LOAD BALANCING ============== 7190.68 LDB: Largest compute 4800 load 0.030268 is 25.6% of average load 0.118060 LDB: Average compute 0.001730 is 1.5% of average load 0.118060 LDB: TIME 7190.68 LOAD: AVG 0.11806 MAX 0.205366 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.945 MB LDB: TIME 7190.68 LOAD: AVG 0.11806 MAX 0.205366 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.949 MB LDB: TIME 7190.68 LOAD: AVG 0.11806 MAX 0.205366 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.949 MB LDB: ============== END OF LOAD BALANCING =============== 7190.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7190.69 PRESSURE: 2384400 289.3 51.5891 -182.964 51.5891 41.3475 -51.5404 -182.965 -51.5414 166.293 GPRESSURE: 2384400 383.764 92.4035 -206.067 -26.4535 45.3882 -42.4074 -90.9676 -155.413 162.965 PRESSAVG: 2384400 -47.8738 -31.0909 -16.2956 -31.0909 73.7688 8.44726 -16.2956 8.44723 -28.3865 GPRESSAVG: 2384400 -48.2736 -32.0224 -15.3375 -30.2623 73.9188 8.97464 -17.8474 5.22225 -28.2211 TIMING: 2384400 CPU: 7187.47, 0.00307352/step Wall: 7187.47, 0.00307352/step, 2.23308 hours remaining, 209.757812 MB of memory in use. ENERGY: 2384400 778.3074 2120.6796 1939.9780 117.2399 -206842.3687 18157.4112 0.0000 0.0000 34344.1225 -149384.6300 299.9358 -183728.7525 -149291.7643 298.6752 165.6469 197.3724 555943.2016 -0.8305 -0.8586 PRESSURE: 2384600 129.934 94.3595 -60.1817 94.3603 259.454 -176.306 -60.1816 -176.306 261.061 GPRESSURE: 2384600 139.341 98.9383 -81.793 53.3402 345.989 -238.29 -138.285 -187.469 245.242 PRESSAVG: 2384600 -12.7288 16.0028 -18.1772 16.0029 -7.18539 -52.812 -18.1773 -52.812 9.14283 GPRESSAVG: 2384600 -13.6472 16.2401 -17.9041 13.7966 -6.89556 -52.3734 -16.4658 -50.8105 9.85831 TIMING: 2384600 CPU: 7188.07, 0.00298472/step Wall: 7188.07, 0.00298472/step, 2.1684 hours remaining, 210.089844 MB of memory in use. ENERGY: 2384600 706.7619 2100.3935 1938.2936 107.7950 -206696.8910 18111.2422 0.0000 0.0000 34277.3480 -149455.0568 299.3526 -183732.4049 -149361.6702 298.8666 216.8162 243.5241 556597.3302 -3.5905 -3.5615 PRESSURE: 2384800 -262.189 -53.4754 -27.8547 -53.4754 -241.27 -136.242 -27.8541 -136.241 -100.768 GPRESSURE: 2384800 -196.453 -8.94305 -82.7559 -67.535 -248.815 -221.951 24.838 -57.2175 -75.952 PRESSAVG: 2384800 52.5173 -9.25502 0.514414 -9.25493 58.6557 -62.5881 0.514427 -62.588 -81.5489 GPRESSAVG: 2384800 53.3105 -10.406 0.528768 -7.99921 58.0226 -63.1906 -0.656095 -62.0515 -82.285 TIMING: 2384800 CPU: 7188.67, 0.00300172/step Wall: 7188.67, 0.00300172/step, 2.18058 hours remaining, 210.089844 MB of memory in use. ENERGY: 2384800 733.5657 2062.6246 1943.0774 110.7101 -206061.4645 17753.8097 0.0000 0.0000 34152.8032 -149304.8737 298.2649 -183457.6769 -149213.9543 299.1568 -201.4092 -173.7401 559670.7659 9.8747 9.6827 PRESSURE: 2385000 -188.688 43.5086 -144.929 43.5094 -231.802 -40.7499 -144.928 -40.749 80.978 GPRESSURE: 2385000 -118.192 -34.1085 -27.6961 82.6507 -210.231 -34.8192 -198.655 -0.119348 82.4463 PRESSAVG: 2385000 -33.3166 -47.8469 -38.2315 -47.8469 7.9234 -26.6861 -38.2315 -26.686 40.0309 GPRESSAVG: 2385000 -34.0869 -47.3644 -40.0073 -48.1644 8.50946 -26.4533 -37.7433 -27.8745 40.2894 TIMING: 2385000 CPU: 7189.27, 0.00300647/step Wall: 7189.27, 0.00300647/step, 2.18386 hours remaining, 210.089844 MB of memory in use. ENERGY: 2385000 753.7560 2032.6191 1916.0606 118.1372 -206371.3394 17890.3502 0.0000 0.0000 34225.5105 -149434.9057 298.8999 -183660.4162 -149335.0770 299.0957 -113.1707 -81.9921 558502.5993 4.8792 4.9040 PRESSURE: 2385200 72.3548 27.4264 177.852 27.4262 8.49254 29.9984 177.852 29.9992 -62.8348 GPRESSURE: 2385200 143.004 28.061 119.358 10.8146 -3.33215 68.3529 208.312 -99.9128 -15.4128 PRESSAVG: 2385200 45.5186 52.5715 -27.0206 52.5716 -35.3827 -33.1301 -27.0205 -33.13 -7.34256 GPRESSAVG: 2385200 46.5387 52.5447 -24.1083 53.7768 -35.8275 -34.2077 -27.1499 -32.0854 -8.33033 TIMING: 2385200 CPU: 7189.87, 0.00299747/step Wall: 7189.87, 0.00299747/step, 2.17716 hours remaining, 210.089844 MB of memory in use. ENERGY: 2385200 718.5964 2056.6545 1930.6944 109.4405 -206071.5896 17848.9619 0.0000 0.0000 33971.8116 -149435.4303 296.6843 -183407.2418 -149334.6110 298.6866 6.0042 41.4198 558909.0440 0.9311 0.7936 PRESSURE: 2385400 -212.615 -89.8426 -144.059 -89.8448 -190.253 38.2764 -144.058 38.2748 15.439 GPRESSURE: 2385400 -163.972 19.0561 -154.175 -173.825 -149.172 71.9854 -91.5673 19.328 27.3764 PRESSAVG: 2385400 27.139 -29.2292 -63.5382 -29.2293 -8.37001 30.3285 -63.5382 30.3285 -35.0907 GPRESSAVG: 2385400 26.6066 -30.7035 -64.9818 -29.1215 -8.90954 30.3241 -60.8121 29.3244 -34.0763 TIMING: 2385400 CPU: 7190.46, 0.00298897/step Wall: 7190.46, 0.00298897/step, 2.17082 hours remaining, 210.089844 MB of memory in use. ENERGY: 2385400 748.9235 2053.9514 1930.2539 106.9526 -206072.3397 17670.2967 0.0000 0.0000 34267.9827 -149293.9789 299.2708 -183561.9616 -149199.6521 298.1610 -129.1431 -95.2560 557345.1729 -5.4405 -5.4597 PRESSURE: 2385600 -70.6349 37.1475 55.8082 37.1464 -531.873 -117.164 55.8075 -117.166 -194.262 GPRESSURE: 2385600 -71.9601 -5.90011 78.2282 13.8241 -503.053 -82.237 58.2833 -194.378 -130.182 PRESSAVG: 2385600 16.8789 -33.75 -41.61 -33.7499 -77.171 23.9091 -41.6101 23.9089 77.7924 GPRESSAVG: 2385600 16.8284 -32.8449 -39.9378 -35.1188 -76.8952 23.872 -44.9502 24.9045 77.905 TIMING: 2385600 CPU: 7191.06, 0.00298373/step Wall: 7191.06, 0.00298373/step, 2.16685 hours remaining, 210.089844 MB of memory in use. ENERGY: 2385600 762.7080 2086.1525 1948.2749 113.9498 -205734.2083 17446.1370 0.0000 0.0000 34139.8293 -149237.1567 298.1516 -183376.9860 -149134.3661 298.8397 -265.5899 -235.0651 558040.4137 5.8335 5.9460 PRESSURE: 2385800 79.1155 -98.326 -48.5182 -98.3247 116.331 -61.6646 -48.5193 -61.6641 149.642 GPRESSURE: 2385800 100.563 -155.69 -104.12 -56.5198 149.685 -109.087 -48.3488 -37.4636 205.677 PRESSAVG: 2385800 -12.6992 -25.0612 25.8423 -25.0613 36.0543 4.35576 25.8422 4.35582 -8.4368 GPRESSAVG: 2385800 -12.3126 -26.0057 24.42 -23.5747 36.0699 2.93749 26.4009 5.29316 -8.37455 TIMING: 2385800 CPU: 7191.66, 0.00300289/step Wall: 7191.66, 0.00300289/step, 2.1806 hours remaining, 210.332031 MB of memory in use. ENERGY: 2385800 738.6891 2088.9330 1956.7927 103.9357 -205970.7396 17998.2641 0.0000 0.0000 34132.0056 -148952.1194 298.0833 -183084.1250 -148858.2733 299.8000 115.0293 151.9748 557625.1777 4.9728 5.1276 PRESSURE: 2386000 63.4572 116.553 130.374 116.551 229.975 -117.473 130.375 -117.472 260.348 GPRESSURE: 2386000 127.379 41.9275 152.002 -22.094 278.911 -154.632 45.5002 -59.0712 249.209 PRESSAVG: 2386000 -34.911 -40.8892 20.1444 -40.8892 64.8643 -31.2356 20.1444 -31.2356 9.67186 GPRESSAVG: 2386000 -35.0115 -39.7446 20.4332 -43.2202 65.1395 -29.1949 20.6039 -30.9967 9.37132 TIMING: 2386000 CPU: 7192.26, 0.00300794/step Wall: 7192.26, 0.00300794/step, 2.1841 hours remaining, 210.332031 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: 2386000 702.8661 2045.4540 1984.2529 107.7914 -205888.3582 17807.2948 0.0000 0.0000 34458.2251 -148782.4740 300.9322 -183240.6991 -148690.9136 300.4074 184.5934 218.4995 556369.5750 13.2084 13.1664 PRESSURE: 2386200 -19.1498 -3.74087 -43.9954 -3.74 141.521 -94.722 -43.9941 -94.7227 30.1253 GPRESSURE: 2386200 -10.5701 29.2251 -145.35 -27.5759 168.721 -94.8894 20.0597 -7.05151 82.8093 PRESSAVG: 2386200 2.43795 -9.32016 -22.6092 -9.32013 16.6784 -51.283 -22.6092 -51.283 22.5534 GPRESSAVG: 2386200 3.20235 -9.13482 -24.1719 -6.22299 16.1261 -53.288 -21.0587 -50.5007 21.5991 TIMING: 2386200 CPU: 7192.87, 0.00301356/step Wall: 7192.87, 0.00301356/step, 2.18801 hours remaining, 210.332031 MB of memory in use. ENERGY: 2386200 690.3796 2066.7816 1926.5267 105.9000 -205927.3102 17693.4751 0.0000 0.0000 34505.3490 -148938.8982 301.3438 -183444.2473 -148842.5172 299.7903 50.8322 80.3200 557526.2796 13.8899 13.6425 PRESSURE: 2386400 143.679 5.21014 -34.8082 5.21065 -95.2161 -7.31774 -34.8088 -7.31943 -150.984 GPRESSURE: 2386400 123.292 -125.355 17.9497 52.0405 -46.7775 -35.1107 -80.7157 16.983 -83.3519 PRESSAVG: 2386400 14.4367 0.648488 24.091 0.648594 -2.39472 -6.74916 24.091 -6.74918 -41.6709 GPRESSAVG: 2386400 12.9114 -0.812138 25.1801 0.632267 -2.26539 -6.00496 22.3946 -7.42379 -40.1285 TIMING: 2386400 CPU: 7193.47, 0.00300776/step Wall: 7193.47, 0.00300776/step, 2.18363 hours remaining, 210.332031 MB of memory in use. ENERGY: 2386400 749.3400 2066.0447 1939.8265 100.4100 -205814.8494 17679.1526 0.0000 0.0000 34328.7938 -148951.2818 299.8019 -183280.0755 -148854.5825 300.1333 -34.1737 -2.2791 558005.1576 -9.8763 -9.8275 PRESSURE: 2386600 34.7667 58.2289 84.086 58.2282 4.10113 40.5622 84.0859 40.5605 -98.8752 GPRESSURE: 2386600 81.8514 5.17876 94.6491 144.161 20.7141 51.1077 6.64084 91.7162 -62.3841 PRESSAVG: 2386600 20.45 -1.61822 -15.3711 -1.61825 3.28562 -6.17158 -15.3711 -6.17155 -15.3128 GPRESSAVG: 2386600 21.7565 -2.44617 -14.0841 -3.86546 3.2301 -4.45487 -15.1624 -6.11247 -16.4565 TIMING: 2386600 CPU: 7194.07, 0.003022/step Wall: 7194.07, 0.003022/step, 2.19381 hours remaining, 210.332031 MB of memory in use. ENERGY: 2386600 740.0980 2142.5822 1917.2950 116.3603 -206218.3203 17725.7358 0.0000 0.0000 34565.7004 -149010.5486 301.8709 -183576.2491 -148914.1256 300.1194 -20.0024 13.3938 556365.8941 2.8076 2.8434 PRESSURE: 2386800 -210.069 -63.9019 -65.8701 -63.9035 135.627 -64.037 -65.8703 -64.0354 168.215 GPRESSURE: 2386800 -178.541 -85.0486 -62.0746 -124.23 183.798 -83.0603 -106.843 -110.793 189.143 PRESSAVG: 2386800 -20.503 -70.8614 11.8534 -70.8615 5.32279 -61.0691 11.8534 -61.0691 51.3876 GPRESSAVG: 2386800 -21.1584 -68.0381 12.0818 -70.7465 5.04282 -59.7668 10.0178 -62.3714 52.2164 TIMING: 2386800 CPU: 7194.67, 0.00300668/step Wall: 7194.67, 0.00300668/step, 2.18252 hours remaining, 210.332031 MB of memory in use. ENERGY: 2386800 740.9685 2091.1216 1930.0389 117.1975 -206051.9782 17753.2804 0.0000 0.0000 34368.7794 -149050.5921 300.1511 -183419.3714 -148950.2341 300.3659 31.2578 64.8001 557709.6564 12.0691 12.0336 PRESSURE: 2387000 -87.5586 113.709 -120.432 113.708 -114.527 59.8094 -120.431 59.809 -338.629 GPRESSURE: 2387000 -19.4201 52.0723 -91.0999 75.8125 -77.6328 101.62 -145.503 14.6711 -346.333 PRESSAVG: 2387000 -27.7989 15.6498 -32.6315 15.6498 40.2868 -24.326 -32.6315 -24.326 -9.17411 GPRESSAVG: 2387000 -26.6951 13.017 -33.4541 16.0656 40.4356 -27.3358 -29.5411 -23.658 -10.7793 TIMING: 2387000 CPU: 7195.28, 0.00301502/step Wall: 7195.28, 0.00301502/step, 2.1884 hours remaining, 210.332031 MB of memory in use. ENERGY: 2387000 731.7740 2132.1095 1935.9028 113.0332 -205841.1645 17444.8192 0.0000 0.0000 34338.9577 -149144.5680 299.8907 -183483.5258 -149048.1524 299.9845 -180.2384 -147.7952 557084.2004 1.1046 0.9870 PRESSURE: 2387200 16.6916 64.0616 -170.484 64.0614 -100.648 -153.913 -170.485 -153.914 -265.524 GPRESSURE: 2387200 48.7624 73.4378 -134.048 63.8425 -67.0218 -180.273 -148.094 -150.573 -225.095 PRESSAVG: 2387200 43.3098 -19.7291 -46.5021 -19.729 26.508 -4.66225 -46.5021 -4.66213 -76.6841 GPRESSAVG: 2387200 41.4805 -17.7196 -45.5162 -19.6613 26.5138 -3.92182 -47.9249 -3.3747 -75.4173 TIMING: 2387200 CPU: 7195.88, 0.00301541/step Wall: 7195.88, 0.00301541/step, 2.18852 hours remaining, 210.332031 MB of memory in use. ENERGY: 2387200 770.0927 2139.6159 1938.4715 119.0023 -205939.0407 17620.1796 0.0000 0.0000 34248.1524 -149103.5263 299.0976 -183351.6787 -149005.5670 299.8728 -116.4936 -81.1182 558626.7194 -2.2888 -2.4744 PRESSURE: 2387400 -89.0687 -28.8709 -15.6861 -28.8697 33.7875 -58.8547 -15.6864 -58.8542 -207.417 GPRESSURE: 2387400 -46.4388 -103.66 -36.8 7.06379 33.6293 -67.4571 -1.9994 -6.83686 -148.45 PRESSAVG: 2387400 -48.0197 -38.6523 -52.5265 -38.6523 65.3875 -11.24 -52.5265 -11.2399 10.7354 GPRESSAVG: 2387400 -47.8483 -39.0445 -53.7646 -39.1525 65.9263 -11.3991 -49.8252 -11.2324 10.0936 TIMING: 2387400 CPU: 7196.48, 0.00300687/step Wall: 7196.48, 0.00300687/step, 2.18215 hours remaining, 210.332031 MB of memory in use. ENERGY: 2387400 788.3671 2094.3484 1925.0767 106.6801 -206268.2236 17940.7107 0.0000 0.0000 34348.0060 -149065.0346 299.9697 -183413.0406 -148968.0048 299.8511 -87.5661 -53.7530 559329.8906 9.3677 9.3905 PRESSURE: 2387600 -196.537 -108.28 0.918982 -108.28 -217.307 -105.959 0.917986 -105.959 -101.765 GPRESSURE: 2387600 -132.565 -66.3516 -18.6345 -172.94 -164.247 -41.529 46.2596 -35.7602 -112.258 PRESSAVG: 2387600 -60.422 -42.0543 55.6094 -42.0543 19.3617 0.374645 55.6095 0.374573 15.513 GPRESSAVG: 2387600 -59.2693 -39.4609 55.0752 -42.1017 18.1539 0.182013 52.9225 -1.031 15.5456 TIMING: 2387600 CPU: 7197.09, 0.00301959/step Wall: 7197.09, 0.00301959/step, 2.19122 hours remaining, 210.332031 MB of memory in use. ENERGY: 2387600 777.0186 2108.4905 1948.8000 111.7819 -206021.8056 17752.6995 0.0000 0.0000 34336.5513 -148986.4638 299.8696 -183323.0151 -148896.0744 299.8814 -171.8699 -136.3566 559391.0636 -8.5158 -8.5233 PRESSURE: 2387800 148.055 -27.4301 -125.655 -27.4301 -57.6527 -1.87839 -125.656 -1.8791 -80.3435 GPRESSURE: 2387800 167.366 -9.97344 -63.186 -24.3787 -27.442 101.983 -132.682 -39.9432 -43.2629 PRESSAVG: 2387800 -9.56603 -80.0909 1.05476 -80.0909 12.1772 -4.04535 1.05471 -4.04538 15.3208 GPRESSAVG: 2387800 -9.84602 -82.461 0.670266 -78.606 12.1396 -3.73595 2.44832 -4.36701 15.8514 TIMING: 2387800 CPU: 7197.68, 0.00299401/step Wall: 7197.68, 0.00299401/step, 2.17248 hours remaining, 210.332031 MB of memory in use. ENERGY: 2387800 762.1622 2082.1151 1954.3274 114.2660 -206372.8642 17987.4686 0.0000 0.0000 34440.7702 -149031.7547 300.7798 -183472.5248 -148931.9648 300.9630 3.3530 32.2202 557609.3090 5.9773 6.0483 PRESSURE: 2388000 -191.155 -86.01 15.0844 -86.0101 -29.8641 45.5351 15.084 45.5346 -243.308 GPRESSURE: 2388000 -142.976 -78.6221 -13.1762 -40.8218 9.71004 32.4536 -7.77117 1.64413 -224.676 PRESSAVG: 2388000 -28.9958 -16.5729 -50.3249 -16.573 13.305 24.1171 -50.325 24.1172 38.0382 GPRESSAVG: 2388000 -29.8638 -18.4357 -48.8546 -16.1469 14.168 23.0023 -50.0378 23.4044 37.9044 TIMING: 2388000 CPU: 7198.28, 0.00300187/step Wall: 7198.28, 0.00300187/step, 2.17802 hours remaining, 210.332031 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: 2388000 782.4510 2066.0397 1955.6453 100.7895 -205918.4660 17696.2231 0.0000 0.0000 34302.9337 -149014.3836 299.5761 -183317.3173 -148915.0383 299.4373 -154.7757 -119.3141 558230.5258 7.4491 7.4029 PRESSURE: 2388200 -38.839 31.3236 18.8955 31.3235 71.1892 -20.1214 18.897 -20.1222 -123.385 GPRESSURE: 2388200 -24.4456 43.4397 -96.737 -114.507 129.661 -18.4672 13.9581 44.0354 -97.5748 PRESSAVG: 2388200 -24.308 2.03686 2.1611 2.03691 28.787 25.6323 2.16106 25.6322 9.19191 GPRESSAVG: 2388200 -24.9395 7.34632 1.05263 -0.313518 29.0109 25.7703 0.156292 25.8139 9.46862 TIMING: 2388200 CPU: 7198.88, 0.00299348/step Wall: 7198.88, 0.00299348/step, 2.17177 hours remaining, 210.332031 MB of memory in use. ENERGY: 2388200 755.8410 2035.5040 1932.6613 108.6133 -205990.0685 17732.5269 0.0000 0.0000 34443.2746 -148981.6474 300.8017 -183424.9220 -148884.2279 299.3934 -30.3450 2.5468 559156.6365 4.5570 4.5133 LDB: ============= START OF LOAD BALANCING ============== 7202.4 LDB: ============== END OF LOAD BALANCING =============== 7202.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7202.4 LDB: ============= START OF LOAD BALANCING ============== 7202.71 LDB: Largest compute 4800 load 0.030189 is 25.6% of average load 0.118109 LDB: Average compute 0.001736 is 1.5% of average load 0.118109 LDB: TIME 7202.71 LOAD: AVG 0.118109 MAX 0.207891 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.25 MB LDB: TIME 7202.71 LOAD: AVG 0.118109 MAX 0.207891 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.453 MB LDB: TIME 7202.71 LOAD: AVG 0.118109 MAX 0.207891 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.453 MB LDB: ============== END OF LOAD BALANCING =============== 7202.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7202.71 PRESSURE: 2388400 25.7724 141.385 -48.585 141.386 -448.327 -22.884 -48.5856 -22.8803 12.2714 GPRESSURE: 2388400 43.2007 117.536 -18.3826 176.678 -420.953 31.9908 -37.0001 -56.0091 59.6211 PRESSAVG: 2388400 21.172 45.4019 25.1252 45.402 -32.5781 21.3039 25.1253 21.3039 72.9915 GPRESSAVG: 2388400 22.1188 42.6266 25.3199 47.0067 -34.1621 21.449 27.8905 20.9232 73.7639 TIMING: 2388400 CPU: 7199.5, 0.00307326/step Wall: 7199.5, 0.00307326/step, 2.22948 hours remaining, 210.988281 MB of memory in use. ENERGY: 2388400 758.6581 2071.4054 1931.2745 120.4873 -205554.2957 17460.1630 0.0000 0.0000 34181.9133 -149030.3941 298.5192 -183212.3074 -148939.3662 299.4377 -136.7612 -106.0439 558444.8418 20.5285 20.5735 PRESSURE: 2388600 31.9113 78.8314 80.1761 78.8308 -190.172 43.8957 80.1767 43.8969 -274.823 GPRESSURE: 2388600 86.2222 87.1525 64.8576 116.662 -214.991 2.42576 92.0432 149.348 -206.48 PRESSAVG: 2388600 14.8875 -9.64111 -8.92303 -9.64105 -68.123 57.126 -8.92302 57.1259 23.6607 GPRESSAVG: 2388600 15.5235 -9.97464 -8.44512 -11.016 -67.7673 55.576 -9.28958 58.2779 23.4671 TIMING: 2388600 CPU: 7200.1, 0.00300036/step Wall: 7200.1, 0.00300036/step, 2.17643 hours remaining, 211.132812 MB of memory in use. ENERGY: 2388600 732.5050 2075.7298 1917.9612 102.4633 -205653.3203 17492.7697 0.0000 0.0000 34371.7656 -148960.1257 300.1772 -183331.8913 -148854.2376 299.6552 -144.3610 -111.7497 558395.1386 -9.8582 -9.5922 PRESSURE: 2388800 164.225 164.605 56.6496 164.607 -307.826 6.71092 56.6481 6.71071 -2.41562 GPRESSURE: 2388800 140.536 230.887 71.9629 101.664 -247.996 -33.2412 9.12332 72.0663 57.5629 PRESSAVG: 2388800 128.741 42.4179 22.014 42.4179 -56.1769 18.4983 22.0139 18.4983 -50.4689 GPRESSAVG: 2388800 127.798 41.3539 21.2769 41.7039 -54.5127 18.8884 20.2441 19.0303 -51.4236 TIMING: 2388800 CPU: 7200.7, 0.00302707/step Wall: 7200.7, 0.00302708/step, 2.19564 hours remaining, 211.132812 MB of memory in use. ENERGY: 2388800 742.9222 2091.3214 1943.1453 118.6872 -205547.1033 17328.0256 0.0000 0.0000 34247.6799 -149075.3217 299.0935 -183323.0016 -148972.0439 300.5551 -48.6722 -16.6322 555050.1021 7.3651 7.2873 PRESSURE: 2389000 119.141 70.2035 2.0615 70.2035 -22.0558 -48.8219 2.05985 -48.824 57.4415 GPRESSURE: 2389000 161.407 60.3023 6.9523 56.0126 25.6044 15.8088 81.7424 -90.9905 64.9341 PRESSAVG: 2389000 73.1278 51.6562 -41.9485 51.6562 -30.6643 24.8871 -41.9485 24.8871 -32.0008 GPRESSAVG: 2389000 74.1116 52.7659 -40.4951 51.8896 -30.5469 26.6799 -40.5194 23.212 -33.1336 TIMING: 2389000 CPU: 7201.3, 0.00300808/step Wall: 7201.3, 0.00300808/step, 2.18169 hours remaining, 211.132812 MB of memory in use. ENERGY: 2389000 749.9338 2041.8474 1906.9532 119.0714 -206124.1180 17838.4133 0.0000 0.0000 34544.7731 -148923.1259 301.6881 -183467.8990 -148822.9220 300.7489 51.5088 83.9817 555955.3345 3.4876 3.4770 PRESSURE: 2389200 79.3313 -3.11975 -15.4498 -3.11965 -55.1671 -16.8703 -15.4494 -16.8689 -230.89 GPRESSURE: 2389200 79.1154 22.0458 20.5116 8.1699 -53.8276 11.9639 -72.2244 107.572 -130.856 PRESSAVG: 2389200 66.9833 2.0092 -3.28723 2.00922 -19.7519 -8.4141 -3.28731 -8.41406 -28.5462 GPRESSAVG: 2389200 66.4791 -0.275497 -5.42835 1.90242 -21.1963 -9.41989 -5.08497 -8.22279 -26.897 TIMING: 2389200 CPU: 7201.91, 0.00302858/step Wall: 7201.91, 0.00302858/step, 2.19639 hours remaining, 211.132812 MB of memory in use. ENERGY: 2389200 722.6442 2134.8898 1945.8654 101.3807 -205670.2172 17549.5387 0.0000 0.0000 34175.6217 -149040.2767 298.4642 -183215.8984 -148939.6519 299.6197 -68.9088 -35.1893 558051.8773 6.2284 6.1286 PRESSURE: 2389400 244.886 -36.3924 -61.6475 -36.3925 -139.557 -94.7396 -61.6484 -94.7399 206.639 GPRESSURE: 2389400 259.848 -61.3092 -58.3294 -15.8874 -12.9112 -90.368 -75.9032 -59.8416 182.207 PRESSAVG: 2389400 -28.9682 -43.0334 -12.5771 -43.0335 95.1698 -39.5362 -12.5771 -39.5362 -37.9966 GPRESSAVG: 2389400 -29.4989 -41.5918 -11.2631 -43.2639 96.4817 -38.0516 -12.4278 -38.957 -38.6466 TIMING: 2389400 CPU: 7202.51, 0.00299156/step Wall: 7202.51, 0.00299156/step, 2.16938 hours remaining, 211.132812 MB of memory in use. ENERGY: 2389400 744.9375 2110.3963 1917.8050 100.4074 -206325.8243 18041.3051 0.0000 0.0000 34233.4712 -149177.5019 298.9694 -183410.9731 -149077.5922 299.3126 103.9895 143.0480 557394.5054 9.4017 9.4454 PRESSURE: 2389600 -353.418 2.13804 47.6749 2.13882 -76.6722 24.3321 47.6735 24.3317 -202.066 GPRESSURE: 2389600 -309.718 -16.5895 26.0632 16.3639 -65.9993 18.7861 78.3439 56.9053 -174.155 PRESSAVG: 2389600 -20.2564 24.5368 -4.49957 24.5368 9.71136 44.4902 -4.49943 44.4901 -13.9244 GPRESSAVG: 2389600 -20.001 22.8828 -7.86213 26.3613 9.09113 43.5335 -2.54049 45.6406 -12.9871 TIMING: 2389600 CPU: 7203.11, 0.00299702/step Wall: 7203.11, 0.00299702/step, 2.17317 hours remaining, 211.132812 MB of memory in use. ENERGY: 2389600 724.2724 2160.8910 1941.5447 121.9916 -205828.2891 17454.8925 0.0000 0.0000 34088.9610 -149335.7358 297.7074 -183424.6968 -149242.9410 299.0258 -210.7189 -183.2906 558608.5369 -8.1565 -7.9656 PRESSURE: 2389800 -80.9046 81.9488 82.6141 81.9502 -63.5492 -57.2416 82.6146 -57.2422 111.527 GPRESSURE: 2389800 -47.5157 20.0118 213.709 111.035 -28.1395 -51.7069 77.9983 -104.855 122.896 PRESSAVG: 2389800 0.91432 -22.8906 36.8809 -22.8906 28.6576 56.1835 36.8809 56.1835 -41.7331 GPRESSAVG: 2389800 1.46649 -20.928 38.8066 -23.8332 29.2209 56.4641 36.7514 54.7022 -42.5273 TIMING: 2389800 CPU: 7203.71, 0.00300939/step Wall: 7203.71, 0.00300939/step, 2.18198 hours remaining, 211.132812 MB of memory in use. ENERGY: 2389800 777.6088 2157.5936 1944.5784 108.8094 -206429.5277 17871.7096 0.0000 0.0000 34043.0943 -149526.1335 297.3068 -183569.2278 -149438.8274 299.0902 -10.9756 15.7468 556986.4580 -4.0537 -3.9466 PRESSURE: 2390000 -79.7939 12.1939 62.1747 12.1936 323.646 -11.6143 62.1747 -11.615 -29.9297 GPRESSURE: 2390000 -50.5989 16.2975 83.3636 -7.46089 346.113 -45.8528 110.188 20.1674 19.4771 PRESSAVG: 2390000 14.2145 -12.583 39.0921 -12.583 47.3118 29.5834 39.0922 29.5832 -46.9049 GPRESSAVG: 2390000 13.1341 -14.0577 40.0976 -11.0015 48.0007 28.4343 37.0216 30.3102 -45.9968 TIMING: 2390000 CPU: 7204.31, 0.00299589/step Wall: 7204.31, 0.00299589/step, 2.17202 hours remaining, 211.132812 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: 2390000 732.2244 2112.7805 1967.7305 119.2363 -206170.2583 17809.7677 0.0000 0.0000 34022.4399 -149406.0791 297.1264 -183428.5190 -149308.5364 297.7504 71.3075 104.9971 557617.0136 4.8738 5.0460 PRESSURE: 2390200 101.957 112.917 -52.2162 112.918 -124.256 18.6161 -52.218 18.6156 103.037 GPRESSURE: 2390200 152.02 33.5254 -21.3173 142.478 -159.368 72.2248 -130.936 -4.88775 181.831 PRESSAVG: 2390200 -26.8812 15.1729 25.5517 15.1729 -48.993 32.1883 25.5516 32.1882 68.1571 GPRESSAVG: 2390200 -26.9858 15.8094 26.6463 13.0313 -48.389 33.6297 25.9925 32.328 67.553 TIMING: 2390200 CPU: 7204.91, 0.00302625/step Wall: 7204.91, 0.00302625/step, 2.19386 hours remaining, 211.132812 MB of memory in use. ENERGY: 2390200 740.0494 2081.9634 1920.0719 110.7373 -206256.1818 17799.7697 0.0000 0.0000 34147.3952 -149456.1947 298.2177 -183603.5899 -149366.3487 299.0780 26.9126 58.1611 555766.2278 -2.5724 -2.6073 PRESSURE: 2390400 -164.723 198.582 -4.88253 198.582 111.373 34.0123 -4.88412 34.0129 42.7266 GPRESSURE: 2390400 -157.674 337.915 37.7286 14.0308 142.684 82.8507 0.947817 -18.0355 112.546 PRESSAVG: 2390400 -21.7109 33.0613 -4.85562 33.0614 -1.15185 -21.8493 -4.85561 -21.8494 17.3651 GPRESSAVG: 2390400 -20.8884 33.5186 -7.25235 34.7983 -2.68908 -22.1713 -2.94949 -22.2257 17.9654 TIMING: 2390400 CPU: 7205.52, 0.0030279/step Wall: 7205.52, 0.0030279/step, 2.19489 hours remaining, 211.132812 MB of memory in use. ENERGY: 2390400 714.2723 2056.5934 1936.1641 108.6451 -206410.0841 17917.1233 0.0000 0.0000 34335.8489 -149341.4370 299.8635 -183677.2859 -149245.5946 299.1882 -3.5413 32.5185 558177.2845 -1.8325 -1.8707 PRESSURE: 2390600 214.307 71.6974 -198.175 71.6958 -349.994 132.568 -198.174 132.57 -164.39 GPRESSURE: 2390600 210.545 89.3618 -210.429 23.7645 -257.143 185.628 -51.1449 112.183 -157.487 PRESSAVG: 2390600 51.2241 56.2493 -14.2128 56.2493 -6.5953 83.4061 -14.2128 83.4061 -28.1076 GPRESSAVG: 2390600 51.162 58.1307 -15.679 53.1169 -5.3469 82.9632 -13.2235 84.1157 -28.6936 TIMING: 2390600 CPU: 7206.13, 0.00304883/step Wall: 7206.13, 0.00304883/step, 2.2099 hours remaining, 211.132812 MB of memory in use. ENERGY: 2390600 748.3466 2049.7939 1934.9936 110.1723 -206143.5521 17764.1826 0.0000 0.0000 34256.6473 -149279.4158 299.1718 -183536.0631 -149188.9557 299.6849 -100.0254 -68.0287 557793.3715 5.5070 5.7072 PRESSURE: 2390800 126.856 120.182 -65.9387 120.181 -180.882 128.779 -65.9394 128.78 137.379 GPRESSURE: 2390800 130.329 164.286 -34.3398 77.0471 -90.3118 39.5751 -71.4653 66.1427 130.01 PRESSAVG: 2390800 -5.32928 -28.0317 -1.12803 -28.0316 -31.7898 14.7247 -1.12806 14.7248 69.1689 GPRESSAVG: 2390800 -4.63285 -30.7557 1.60101 -26.9135 -32.523 14.7912 -4.71758 15.0727 69.7112 TIMING: 2390800 CPU: 7206.74, 0.00303276/step Wall: 7206.74, 0.00303276/step, 2.19808 hours remaining, 211.132812 MB of memory in use. ENERGY: 2390800 757.5874 2103.7937 1917.8829 120.7303 -206231.1158 17862.0386 0.0000 0.0000 34330.2193 -149138.8637 299.8143 -183469.0830 -149043.2765 299.5615 27.7842 56.6758 557915.3746 10.6833 10.8518 PRESSURE: 2391000 -112.049 18.0574 -61.3203 18.057 -46.2967 -143.546 -61.3204 -143.546 -439.538 GPRESSURE: 2391000 -82.9811 18.0304 -66.518 17.1615 -45.4486 -62.964 -108.348 -203.667 -370.451 PRESSAVG: 2391000 62.1661 -62.1071 13.5628 -62.1071 -67.1437 1.57959 13.5628 1.57966 -44.4316 GPRESSAVG: 2391000 62.5625 -63.0864 11.49 -59.9048 -67.0771 0.958988 15.5156 0.865812 -44.7003 TIMING: 2391000 CPU: 7207.34, 0.00302556/step Wall: 7207.34, 0.00302556/step, 2.19269 hours remaining, 211.132812 MB of memory in use. ENERGY: 2391000 745.1439 2047.7954 1919.8411 103.5449 -205599.7803 17594.6816 0.0000 0.0000 34169.4053 -149019.3682 298.4099 -183188.7735 -148925.4023 299.2509 -199.2947 -166.2935 558776.6236 -16.4697 -16.4050 PRESSURE: 2391200 84.6464 9.77737 29.6559 9.77652 -190.541 -113.118 29.655 -113.118 178.299 GPRESSURE: 2391200 83.5098 67.0998 39.741 24.8238 -134.645 -134.774 0.054302 -51.2563 222.188 PRESSAVG: 2391200 27.6701 -2.09074 5.1412 -2.0908 -45.7216 -69.5259 5.14114 -69.5259 22.6765 GPRESSAVG: 2391200 27.1723 0.135327 4.89696 -3.82784 -45.5944 -67.1609 6.22329 -69.4239 22.7264 TIMING: 2391200 CPU: 7207.94, 0.00299843/step Wall: 7207.94, 0.00299843/step, 2.17286 hours remaining, 211.132812 MB of memory in use. ENERGY: 2391200 740.7986 2102.4344 1924.1176 105.7908 -206109.2796 17783.4091 0.0000 0.0000 34403.8277 -149048.9014 300.4572 -183452.7291 -148956.2680 299.9175 24.1346 57.0177 558151.2867 1.5416 1.4348 PRESSURE: 2391400 133.389 33.4695 21.4413 33.4687 382 -101.774 21.4427 -101.773 11.2633 GPRESSURE: 2391400 165.002 -31.9615 -33.6372 91.3165 397.152 -115.231 19.3168 -160.868 63.8177 PRESSAVG: 2391400 -6.71087 12.4417 25.9242 12.4418 -57.2516 -25.2229 25.9242 -25.2229 39.7715 GPRESSAVG: 2391400 -6.61995 12.5965 29.0636 14.0411 -57.1236 -27.072 25.0481 -24.8524 39.9276 TIMING: 2391400 CPU: 7208.55, 0.00302068/step Wall: 7208.55, 0.00302068/step, 2.18882 hours remaining, 211.132812 MB of memory in use. ENERGY: 2391400 688.5756 2047.1285 1934.5800 113.1863 -206271.5502 17976.0337 0.0000 0.0000 34362.3839 -149149.6621 300.0952 -183512.0460 -149053.4198 299.5517 175.5506 208.6571 557180.5544 -8.0636 -7.9387 PRESSURE: 2391600 -34.3793 65.6645 12.4749 65.6656 218.971 23.8941 12.4738 23.8951 -113.805 GPRESSURE: 2391600 28.7581 92.2226 41.7905 94.0073 197.399 -22.3038 -46.0484 61.9261 -68.0358 PRESSAVG: 2391600 98.1004 -14.91 1.10178 -14.9101 9.62596 -56.0231 1.10175 -56.023 -56.2366 GPRESSAVG: 2391600 98.5424 -15.062 0.909485 -16.4364 9.27425 -58.3045 -1.81717 -54.79 -56.155 TIMING: 2391600 CPU: 7209.15, 0.00304556/step Wall: 7209.15, 0.00304556/step, 2.20668 hours remaining, 211.203125 MB of memory in use. ENERGY: 2391600 722.2507 2061.6334 1954.0236 115.2110 -205852.0652 17692.7606 0.0000 0.0000 34211.8289 -149094.3570 298.7804 -183306.1859 -148996.7431 298.7131 23.5953 52.7071 557143.0040 17.1633 17.2206 PRESSURE: 2391800 152.065 122.826 56.9922 122.825 -125.096 -78.4823 56.992 -78.4837 -30.9478 GPRESSURE: 2391800 190.09 128.532 76.5911 125.114 -111.087 -74.4766 63.6987 -15.9659 10.1027 PRESSAVG: 2391800 45.8229 24.7938 13.5487 24.7939 -28.1809 -33.6112 13.5487 -33.6113 -32.7548 GPRESSAVG: 2391800 44.9954 22.9388 12.3932 25.5338 -27.7228 -31.7975 15.6504 -34.8748 -32.4574 TIMING: 2391800 CPU: 7209.76, 0.00302817/step Wall: 7209.76, 0.00302817/step, 2.19391 hours remaining, 211.203125 MB of memory in use. ENERGY: 2391800 758.3549 2073.0580 1956.8415 111.5184 -206073.2906 17787.0600 0.0000 0.0000 34195.5672 -149190.8906 298.6384 -183386.4579 -149091.5547 299.7763 -1.3262 29.7021 556682.4167 -5.0376 -5.0616 PRESSURE: 2392000 69.6088 -5.63243 29.2064 -5.63327 -126.68 54.2626 29.2067 54.2634 105.048 GPRESSURE: 2392000 125.167 -16.792 39.5008 1.38725 -117.646 15.0987 17.5364 75.2756 132.332 PRESSAVG: 2392000 43.2411 -19.2843 6.96121 -19.2843 -13.3371 -0.451071 6.96116 -0.451113 -39.0943 GPRESSAVG: 2392000 43.8026 -18.8271 7.35038 -19.4389 -13.2269 -1.81995 8.87202 0.305457 -39.7328 TIMING: 2392000 CPU: 7210.37, 0.00302538/step Wall: 7210.37, 0.00302538/step, 2.19172 hours remaining, 211.203125 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: 2392000 699.1133 2085.7303 1997.3213 106.8926 -206427.2705 17979.8967 0.0000 0.0000 34429.1023 -149129.2139 300.6779 -183558.3162 -149028.7968 299.1415 15.9922 46.6178 558026.2667 -3.0635 -3.0524 PRESSURE: 2392200 192.012 -14.6014 -25.666 -14.6007 -214.456 -31.6244 -25.6656 -31.6248 -132.805 GPRESSURE: 2392200 171.794 -46.0599 35.4567 -82.7659 -178.126 7.7053 -28.6109 -41.5164 -54.3417 PRESSAVG: 2392200 65.9746 11.8444 0.285325 11.8444 -86.6906 32.7709 0.285322 32.7709 4.21203 GPRESSAVG: 2392200 65.6299 11.501 0.609866 12.8961 -87.0892 34.8393 -1.52841 31.8364 4.50605 TIMING: 2392200 CPU: 7210.97, 0.0030145/step Wall: 7210.97, 0.0030145/step, 2.18367 hours remaining, 211.203125 MB of memory in use. ENERGY: 2392200 767.7867 2096.4674 1933.7874 120.5002 -206520.1264 17925.2545 0.0000 0.0000 34452.4776 -149223.8525 300.8821 -183676.3301 -149132.7380 299.1631 -51.7499 -20.2244 557003.1059 -5.5013 -5.6511 LDB: ============= START OF LOAD BALANCING ============== 7214.49 LDB: ============== END OF LOAD BALANCING =============== 7214.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7214.49 LDB: ============= START OF LOAD BALANCING ============== 7214.8 LDB: Largest compute 4801 load 0.029942 is 25.4% of average load 0.118010 LDB: Average compute 0.001732 is 1.5% of average load 0.118010 LDB: TIME 7214.8 LOAD: AVG 0.11801 MAX 0.206263 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.418 MB LDB: TIME 7214.8 LOAD: AVG 0.11801 MAX 0.206263 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.621 MB LDB: TIME 7214.8 LOAD: AVG 0.11801 MAX 0.206263 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.621 MB LDB: ============== END OF LOAD BALANCING =============== 7214.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7214.8 PRESSURE: 2392400 -187.29 -94.9693 -37.8145 -94.9681 -191.066 110.08 -37.8143 110.08 -321.064 GPRESSURE: 2392400 -166.937 -32.0096 8.30833 -250.975 -142.632 124.318 -78.1189 118.7 -285.968 PRESSAVG: 2392400 1.18729 -20.5098 21.2012 -20.5099 25.7144 3.55026 21.2012 3.55039 -51.7473 GPRESSAVG: 2392400 2.48089 -18.2836 21.2875 -23.1369 25.686 3.89049 20.3468 3.81394 -52.1693 TIMING: 2392400 CPU: 7211.59, 0.00309748/step Wall: 7211.59, 0.00309748/step, 2.24361 hours remaining, 209.710938 MB of memory in use. ENERGY: 2392400 802.9875 2117.5513 1938.1500 133.7651 -206005.1703 17698.0583 0.0000 0.0000 34386.5543 -148928.1039 300.3063 -183314.6582 -148831.3964 299.4944 -233.1401 -198.5124 557744.6297 -8.2819 -8.0008 PRESSURE: 2392600 95.9074 88.9381 -123.473 88.9382 58.1477 -131.251 -123.473 -131.253 72.0559 GPRESSURE: 2392600 197.46 96.8422 -56.8699 112.793 40.0215 -131.527 -187.949 -111.331 82.1337 PRESSAVG: 2392600 10.046 22.3771 -44.2839 22.3771 8.2167 30.4395 -44.2837 30.4395 -6.4042 GPRESSAVG: 2392600 9.78055 21.7875 -45.5755 24.5938 8.82197 30.8856 -42.3477 30.0325 -6.6 TIMING: 2392600 CPU: 7212.19, 0.00301774/step Wall: 7212.19, 0.00301774/step, 2.18568 hours remaining, 209.914062 MB of memory in use. ENERGY: 2392600 719.0532 2075.9714 1909.4423 109.3401 -205886.5471 17816.9683 0.0000 0.0000 34376.1213 -148879.6505 300.2152 -183255.7718 -148781.2601 300.4760 75.3703 106.5385 557391.3343 3.9528 4.0008 PRESSURE: 2392800 81.312 -65.5812 24.4551 -65.5792 -111.008 -95.153 24.4571 -95.1527 -31.7935 GPRESSURE: 2392800 47.5756 -86.0225 -34.9309 2.42255 -68.1821 10.1927 -11.6064 -219.355 65.6895 PRESSAVG: 2392800 57.3211 22.1587 -15.942 22.1588 -64.68 -33.1709 -15.9419 -33.1709 -36.7253 GPRESSAVG: 2392800 56.51 22.6583 -15.2941 22.5781 -64.3951 -34.1769 -16.7309 -33.6829 -36.084 TIMING: 2392800 CPU: 7212.8, 0.00303064/step Wall: 7212.8, 0.00303064/step, 2.19486 hours remaining, 209.914062 MB of memory in use. ENERGY: 2392800 746.7815 2101.8105 1934.8546 108.9309 -205548.8780 17606.9415 0.0000 0.0000 34280.9860 -148768.5730 299.3844 -183049.5589 -148677.2314 300.4631 -20.4967 15.0277 558681.8103 -14.6948 -14.6563 PRESSURE: 2393000 282.369 151.322 -5.97779 151.322 27.7846 61.4826 -5.977 61.4816 220.338 GPRESSURE: 2393000 299.577 93.7523 77.4841 175.853 60.5682 155.891 -26.3564 21.2752 275.947 PRESSAVG: 2393000 4.86789 -0.973066 -13.8202 -0.973062 -101.111 -6.58689 -13.8201 -6.58693 77.88 GPRESSAVG: 2393000 4.93745 -0.841144 -13.0366 -3.47257 -101.791 -6.51862 -12.6134 -7.73994 78.1849 TIMING: 2393000 CPU: 7213.4, 0.00302322/step Wall: 7213.4, 0.00302322/step, 2.18931 hours remaining, 209.914062 MB of memory in use. ENERGY: 2393000 739.3306 2044.6078 1944.0162 102.4048 -205898.6647 17981.5905 0.0000 0.0000 34269.4148 -148817.3000 299.2833 -183086.7148 -148725.1141 300.1519 176.8306 212.0309 555303.8248 -6.1210 -6.2229 PRESSURE: 2393200 38.2427 -60.3984 -1.38851 -60.3987 -85.1141 -27.9536 -1.38805 -27.9542 -185.364 GPRESSURE: 2393200 129.391 -32.7311 -24.9007 -46.9972 -148.939 -42.2067 -17.7638 36.653 -123.251 PRESSAVG: 2393200 37.4491 14.264 11.6978 14.264 -29.4967 -7.452 11.6977 -7.45202 27.2953 GPRESSAVG: 2393200 37.0039 12.808 11.0765 16.1409 -29.7816 -8.09707 10.4942 -6.89364 27.5046 TIMING: 2393200 CPU: 7214.01, 0.00304909/step Wall: 7214.01, 0.00304909/step, 2.20788 hours remaining, 209.914062 MB of memory in use. ENERGY: 2393200 740.1821 2100.2196 1899.7734 106.5583 -205779.7937 17694.5388 0.0000 0.0000 34420.8321 -148817.6893 300.6057 -183238.5214 -148712.4191 300.7735 -77.4118 -47.5997 558011.4417 11.7492 11.5756 PRESSURE: 2393400 -92.5897 97.8921 208.244 97.8925 -174.347 189.317 208.243 189.319 -240.725 GPRESSURE: 2393400 -43.1987 110.582 15.8273 33.2873 -108.667 147.619 191.571 180.424 -255.757 PRESSAVG: 2393400 31.0859 33.8934 -33.5525 33.8935 -15.3221 10.426 -33.5525 10.4259 -2.46537 GPRESSAVG: 2393400 31.5705 34.7911 -33.1708 33.8783 -14.4609 10.8058 -33.729 10.4564 -4.14054 TIMING: 2393400 CPU: 7214.62, 0.00303259/step Wall: 7214.62, 0.00303259/step, 2.19576 hours remaining, 209.914062 MB of memory in use. ENERGY: 2393400 732.3640 2052.2447 1947.8019 115.7407 -205197.2587 17297.5849 0.0000 0.0000 34455.9508 -148595.5717 300.9124 -183051.5225 -148506.8727 300.2264 -169.2205 -135.8742 558779.1776 4.4328 4.3230 PRESSURE: 2393600 -596.824 71.2407 35.845 71.2393 -163.515 -28.7264 35.8447 -28.727 -367.729 GPRESSURE: 2393600 -485.061 114.068 51.9171 29.6707 -163.175 -81.0279 -19.1326 -3.26868 -365.356 PRESSAVG: 2393600 -0.0107144 -5.74814 -48.851 -5.74812 -12.4539 16.0191 -48.851 16.0191 -14.8109 GPRESSAVG: 2393600 0.586795 -4.98649 -48.7952 -7.20771 -13.275 16.0505 -49.8229 17.6634 -14.3537 TIMING: 2393600 CPU: 7215.22, 0.00301988/step Wall: 7215.22, 0.00301988/step, 2.18639 hours remaining, 209.914062 MB of memory in use. ENERGY: 2393600 781.2341 2057.3534 1910.4050 119.3509 -205506.5625 17494.7640 0.0000 0.0000 34595.6257 -148547.8294 302.1322 -183143.4551 -148450.1580 300.6039 -376.0224 -337.8641 559843.3636 -9.0919 -9.0140 PRESSURE: 2393800 -140.368 -179.728 -172.536 -179.728 52.1278 31.7257 -172.535 31.7261 -277.477 GPRESSURE: 2393800 -125.221 -135.503 -126.414 -156.023 39.0465 33.2007 -223.399 37.1595 -185.546 PRESSAVG: 2393800 17.5343 -17.8737 24.4136 -17.8737 -26.8966 -32.2758 24.4137 -32.2758 1.2128 GPRESSAVG: 2393800 17.2459 -17.1929 24.7061 -17.8407 -28.0415 -32.1145 23.8528 -33.8156 2.24522 TIMING: 2393800 CPU: 7215.82, 0.00300111/step Wall: 7215.82, 0.00300111/step, 2.17264 hours remaining, 209.914062 MB of memory in use. ENERGY: 2393800 750.0741 2149.9202 1912.8378 108.2571 -205615.1196 17555.6195 0.0000 0.0000 34417.0829 -148721.3281 300.5729 -183138.4109 -148621.6860 300.7621 -121.9057 -90.5735 558570.5073 -2.7165 -2.8501 PRESSURE: 2394000 85.8393 72.7969 -15.7232 72.797 119.654 182.835 -15.7229 182.837 -6.3325 GPRESSURE: 2394000 146.705 13.7554 -71.75 170.766 161.083 236.542 -35.792 229.512 -18.9324 PRESSAVG: 2394000 -40.7529 13.776 -17.721 13.7761 48.9521 -22.7148 -17.721 -22.7145 20.9636 GPRESSAVG: 2394000 -41.4128 10.8202 -18.8226 14.0656 49.5704 -23.6313 -16.1078 -22.4942 20.5218 TIMING: 2394000 CPU: 7216.43, 0.00301741/step Wall: 7216.43, 0.00301741/step, 2.18427 hours remaining, 209.914062 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: 2394000 766.4316 2051.1677 1918.3702 116.0901 -205892.9947 17852.8090 0.0000 0.0000 34406.0343 -148782.0917 300.4765 -183188.1260 -148679.7641 300.7691 66.3869 96.2852 557246.2552 9.7209 9.5598 PRESSURE: 2394200 -166.184 -36.7267 -84.9302 -36.726 153.96 74.2298 -84.9301 74.2304 -156.284 GPRESSURE: 2394200 -165.05 44.4568 -47.0901 -38.4688 206.528 93.5101 -38.8027 131.61 -111.266 PRESSAVG: 2394200 35.9738 -43.5075 -2.6848 -43.5075 -7.08435 6.30614 -2.68472 6.30627 -60.2894 GPRESSAVG: 2394200 34.9795 -42.5097 -1.79484 -42.457 -6.45819 4.62861 -1.59267 7.03221 -59.0516 TIMING: 2394200 CPU: 7217.02, 0.00297571/step Wall: 7217.02, 0.00297571/step, 2.15392 hours remaining, 209.914062 MB of memory in use. ENERGY: 2394200 740.1260 2083.2385 1955.3164 119.6802 -205620.5034 17616.4279 0.0000 0.0000 34183.6736 -148922.0408 298.5345 -183105.7144 -148826.7409 300.2868 -56.1691 -23.2628 558688.6714 -10.4667 -10.1768 PRESSURE: 2394400 -252.426 91.9147 -123.563 91.915 50.0532 50.773 -123.563 50.7739 -233.286 GPRESSURE: 2394400 -210.521 82.7564 -195.142 75.3514 70.1601 92.0797 -87.1736 61.5982 -187.954 PRESSAVG: 2394400 61.1463 -33.6755 -79.2896 -33.6755 -20.8798 52.695 -79.2896 52.6949 -11.2611 GPRESSAVG: 2394400 61.9152 -33.7439 -79.5857 -32.918 -20.6423 56.9851 -79.8113 51.3482 -12.2132 TIMING: 2394400 CPU: 7217.62, 0.00300001/step Wall: 7217.62, 0.00300001/step, 2.17134 hours remaining, 209.914062 MB of memory in use. ENERGY: 2394400 759.8883 2067.1042 1940.1053 113.9503 -205727.0254 17502.4357 0.0000 0.0000 34345.8055 -148997.7362 299.9505 -183343.5416 -148901.5521 300.2580 -145.2196 -109.4383 556906.9406 9.6685 9.6866 PRESSURE: 2394600 -52.6373 -124.409 -205.664 -124.41 -220.569 135.938 -205.665 135.939 -32.0747 GPRESSURE: 2394600 -2.38687 -120.052 -115.744 -181.724 -179.979 79.9877 -256.573 52.1994 -26.2145 PRESSAVG: 2394600 -10.6421 -40.8639 -56.0928 -40.8639 17.6672 37.5111 -56.0928 37.5112 -30.803 GPRESSAVG: 2394600 -9.84156 -39.7513 -55.4295 -42.5509 16.6908 34.7345 -57.9133 36.3164 -30.6777 TIMING: 2394600 CPU: 7218.22, 0.00301936/step Wall: 7218.22, 0.00301936/step, 2.18517 hours remaining, 209.914062 MB of memory in use. ENERGY: 2394600 769.2777 2101.9847 1928.2981 96.8970 -205801.0310 17586.7801 0.0000 0.0000 34464.5878 -148853.2056 300.9878 -183317.7934 -148751.8316 300.3086 -101.7604 -69.5269 559571.0488 -7.9260 -7.9428 PRESSURE: 2394800 96.9957 -59.661 0.506175 -59.6604 312.239 61.4566 0.506803 61.4552 40.2503 GPRESSURE: 2394800 142.248 5.05931 -64.1663 -32.6477 322.884 95.1518 61.1951 137.88 71.9407 PRESSAVG: 2394800 46.5564 -57.6665 -41.4349 -57.6664 -41.0818 49.0999 -41.4348 49.0997 -40.0424 GPRESSAVG: 2394800 46.4888 -59.1213 -42.2387 -57.1673 -41.4737 49.2813 -39.9838 50.4243 -39.8697 TIMING: 2394800 CPU: 7218.82, 0.00298707/step Wall: 7218.82, 0.00298707/step, 2.16164 hours remaining, 210.117188 MB of memory in use. ENERGY: 2394800 767.2910 2100.3061 1935.6991 109.8877 -206204.9412 18027.9803 0.0000 0.0000 34280.3223 -148983.4546 299.3786 -183263.7770 -148887.5133 300.2159 149.8282 179.0241 558595.4897 -11.5226 -11.6182 PRESSURE: 2395000 128.675 -103.798 3.02485 -103.797 44.2457 69.9728 3.0256 69.9721 82.5568 GPRESSURE: 2395000 160.795 -29.9629 26.9583 -155.836 96.3949 158.974 -16.0116 60.2177 75.8968 PRESSAVG: 2395000 -22.5027 -28.0156 3.75807 -28.0156 -50.0543 -3.81295 3.7581 -3.81302 34.2408 GPRESSAVG: 2395000 -21.951 -25.7276 3.25205 -28.7627 -49.6346 -4.27085 4.18616 -1.77285 33.6711 TIMING: 2395000 CPU: 7219.42, 0.00300418/step Wall: 7219.42, 0.00300418/step, 2.17386 hours remaining, 210.117188 MB of memory in use. ENERGY: 2395000 741.9793 2100.9958 1919.0305 111.2731 -206381.6391 18002.8083 0.0000 0.0000 34253.9910 -149251.5611 299.1486 -183505.5521 -149151.0282 299.7906 85.1592 111.0288 558198.4676 -12.7720 -12.6381 PRESSURE: 2395200 10.5965 83.8283 23.4418 83.8261 -0.736519 -58.3409 23.4408 -58.3417 -96.7715 GPRESSURE: 2395200 47.6371 45.5696 177.377 206.639 72.3949 -42.239 -20.9376 -42.3666 -104.692 PRESSAVG: 2395200 -20.5991 -43.4683 39.039 -43.4683 -25.2974 -35.7964 39.039 -35.7964 18.4793 GPRESSAVG: 2395200 -21.9518 -44.7758 40.7021 -42.0402 -24.725 -34.6768 38.9775 -38.9825 19.5968 TIMING: 2395200 CPU: 7220.02, 0.00298222/step Wall: 7220.02, 0.00298222/step, 2.1578 hours remaining, 210.117188 MB of memory in use. ENERGY: 2395200 748.0949 2090.5801 1899.7370 134.2228 -205937.1004 17713.9803 0.0000 0.0000 33921.3720 -149429.1132 296.2438 -183350.4852 -149339.9039 298.4730 -28.9705 5.1134 558583.3053 -9.1391 -9.0267 PRESSURE: 2395400 -243.159 112.696 34.9392 112.697 -158.04 -191.135 34.9383 -191.135 268.65 GPRESSURE: 2395400 -187.498 112.342 34.1473 98.1298 -95.7778 -193.968 64.0822 -181.827 248.296 PRESSAVG: 2395400 44.0614 8.52893 7.69125 8.52894 24.5412 -31.1627 7.6913 -31.1626 -27.7111 GPRESSAVG: 2395400 44.9722 9.17847 7.756 6.86308 25.1486 -32.0888 5.61704 -28.692 -28.6222 TIMING: 2395400 CPU: 7220.62, 0.0029997/step Wall: 7220.62, 0.0029997/step, 2.17028 hours remaining, 210.320312 MB of memory in use. ENERGY: 2395400 693.7687 2123.3535 1928.4872 96.5857 -205933.2666 17577.0855 0.0000 0.0000 34209.5204 -149304.4655 298.7603 -183513.9859 -149203.7654 298.3055 -44.1829 -11.6601 557054.1149 13.6305 13.8329 PRESSURE: 2395600 -362.18 27.5535 -77.1346 27.5541 -497.699 12.3245 -77.1345 12.3245 -371.444 GPRESSURE: 2395600 -365.311 -12.9884 -61.9051 47.5587 -435.034 36.9673 -110.124 30.0281 -333.803 PRESSAVG: 2395600 -15.6041 30.9108 24.5693 30.9109 -5.58014 -12.0998 24.5694 -12.1 34.7038 GPRESSAVG: 2395600 -15.2187 30.8115 22.4489 31.139 -5.72024 -11.0288 25.8063 -11.8829 34.598 TIMING: 2395600 CPU: 7221.22, 0.00298289/step Wall: 7221.22, 0.00298289/step, 2.15796 hours remaining, 210.320312 MB of memory in use. ENERGY: 2395600 757.0957 2093.4544 1930.3864 103.4978 -205984.7450 17418.0746 0.0000 0.0000 34249.3439 -149432.8921 299.1080 -183682.2360 -149324.1846 298.7852 -410.4414 -378.0492 558435.4681 4.5065 4.5530 PRESSURE: 2395800 46.6062 248.883 74.3678 248.883 37.3055 9.28946 74.3685 9.28877 -90.5993 GPRESSURE: 2395800 33.2099 141.484 154.051 313.954 118.435 -9.03217 -30.826 -22.0611 -72.0618 PRESSAVG: 2395800 -55.8769 -3.84199 -0.903868 -3.84196 -2.06591 41.0397 -0.903886 41.0398 57.9049 GPRESSAVG: 2395800 -56.0213 -2.95227 1.02609 -3.80072 -2.67169 38.7708 -2.55555 40.6573 59.1879 TIMING: 2395800 CPU: 7221.81, 0.00296931/step Wall: 7221.81, 0.00296931/step, 2.14796 hours remaining, 210.320312 MB of memory in use. ENERGY: 2395800 749.8332 2108.8074 1902.9857 117.2538 -206585.5311 18105.0499 0.0000 0.0000 34195.2917 -149406.3093 298.6360 -183601.6010 -149309.7811 299.4221 -2.2292 26.5277 558091.8967 -0.0126 0.1649 PRESSURE: 2396000 224.168 62.2668 -58.961 62.2672 256.844 -145.038 -58.9613 -145.039 63.8489 GPRESSURE: 2396000 201.182 39.216 -56.0315 129.353 363.222 -156.674 -11.862 -119.488 75.2625 PRESSAVG: 2396000 -68.8124 -16.2052 26.9376 -16.2053 94.5275 22.0417 26.9377 22.0417 -29.6804 GPRESSAVG: 2396000 -69.2299 -16.3634 26.4619 -15.5126 95.8103 23.0781 29.561 22.2035 -30.5314 TIMING: 2396000 CPU: 7222.41, 0.00297695/step Wall: 7222.41, 0.00297695/step, 2.15333 hours remaining, 210.320312 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: 2396000 713.5764 2019.7823 1941.3469 113.8080 -206725.8365 18162.2424 0.0000 0.0000 34429.6425 -149345.4379 300.6826 -183775.0804 -149248.0918 299.1381 181.6201 213.2223 558683.6344 -1.3218 -1.3170 PRESSURE: 2396200 -164.535 2.42047 -80.5 2.42033 -7.43001 2.05825 -80.4999 2.05864 -2.69912 GPRESSURE: 2396200 -106.258 -23.2151 -36.5976 19.842 -12.694 -27.6771 -56.5809 -23.0425 42.9393 PRESSAVG: 2396200 -18.3278 -27.6366 -36.6241 -27.6365 23.1626 -20.9267 -36.6242 -20.9267 -13.2838 GPRESSAVG: 2396200 -17.9479 -29.203 -37.7304 -27.2328 23.2298 -19.7288 -37.9001 -21.4325 -13.1011 TIMING: 2396200 CPU: 7223, 0.00296054/step Wall: 7223, 0.00296054/step, 2.14129 hours remaining, 210.320312 MB of memory in use. ENERGY: 2396200 744.3582 2096.6420 1951.7914 116.4564 -206385.3250 17857.7601 0.0000 0.0000 34034.8755 -149583.4414 297.2350 -183618.3169 -149482.7608 298.7898 -58.2214 -25.3374 558482.5871 -2.8163 -2.6064 LDB: ============= START OF LOAD BALANCING ============== 7226.51 LDB: ============== END OF LOAD BALANCING =============== 7226.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7226.51 LDB: ============= START OF LOAD BALANCING ============== 7226.81 LDB: Largest compute 4800 load 0.030095 is 25.5% of average load 0.118006 LDB: Average compute 0.001739 is 1.5% of average load 0.118006 LDB: TIME 7226.81 LOAD: AVG 0.118006 MAX 0.203037 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.66 MB LDB: TIME 7226.81 LOAD: AVG 0.118006 MAX 0.203037 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.727 MB LDB: TIME 7226.81 LOAD: AVG 0.118006 MAX 0.203037 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.727 MB LDB: ============== END OF LOAD BALANCING =============== 7226.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 7226.82 Info: useSync: 0 useProxySync: 0 PRESSURE: 2396400 -90.7158 -150.391 -15.8276 -150.391 -22.1508 40.0608 -15.8277 40.0634 168.542 GPRESSURE: 2396400 -20.9147 -116.384 -26.6254 -163.913 -19.0014 2.13961 -24.5459 30.4131 191.513 PRESSAVG: 2396400 -9.23871 -2.11971 -25.2153 -2.11968 55.2806 42.8552 -25.2152 42.8552 9.90099 GPRESSAVG: 2396400 -9.01441 -3.00726 -25.3419 -1.67575 54.6655 42.8016 -25.8699 41.1362 10.558 TIMING: 2396400 CPU: 7223.6, 0.00302824/step Wall: 7223.6, 0.00302824/step, 2.19009 hours remaining, 207.910156 MB of memory in use. ENERGY: 2396400 761.0696 2089.5078 1951.0495 121.7503 -206799.8041 18114.3660 0.0000 0.0000 34134.4887 -149627.5722 298.1050 -183762.0608 -149533.8870 297.8920 18.5586 50.5321 557170.4315 18.6476 18.7363 PRESSURE: 2396600 -116.808 94.1725 4.18363 94.1733 -229.315 -56.3813 4.18483 -56.3807 133.817 GPRESSURE: 2396600 -49.0669 142.169 62.7711 23.8495 -174.043 -21.8519 -70.0577 -146.75 118.486 PRESSAVG: 2396600 4.96321 -19.7868 -14.2507 -19.7868 4.03207 17.1748 -14.2506 17.175 -15.9333 GPRESSAVG: 2396600 6.40757 -18.6144 -14.0131 -19.9818 4.40429 16.79 -13.5805 19.6239 -17.4072 TIMING: 2396600 CPU: 7224.2, 0.00299469/step Wall: 7224.2, 0.00299469/step, 2.16566 hours remaining, 207.910156 MB of memory in use. ENERGY: 2396600 781.0863 2097.8486 1967.7730 107.3234 -206545.8079 17831.0248 0.0000 0.0000 34199.9847 -149560.7670 298.6770 -183760.7517 -149469.2068 297.8578 -70.7687 -34.8745 556840.6203 -2.3127 -2.1984 PRESSURE: 2396800 -20.3936 -151.737 -261.858 -151.737 64.3332 132.28 -261.86 132.28 5.45914 GPRESSURE: 2396800 -25.8663 -131.71 -332.14 -103.31 129.287 152.041 -184.344 125.561 58.9601 PRESSAVG: 2396800 -3.55222 -37.4544 28.999 -37.4545 -24.7988 50.6035 28.9991 50.6035 2.0049 GPRESSAVG: 2396800 -4.06588 -38.1207 28.8583 -36.0798 -24.3465 50.5484 29.4428 48.7245 1.92077 TIMING: 2396800 CPU: 7224.81, 0.00303793/step Wall: 7224.81, 0.00303793/step, 2.19676 hours remaining, 207.910156 MB of memory in use. ENERGY: 2396800 744.4450 2107.0154 1939.6818 119.6673 -206432.7913 17898.0110 0.0000 0.0000 34167.2801 -149456.6907 298.3914 -183623.9709 -149369.2456 298.2097 16.4662 54.1271 558090.8789 -8.7820 -8.8305 PRESSURE: 2397000 105.024 -74.8126 8.31616 -74.8119 78.4393 48.3944 8.31582 48.3945 113.051 GPRESSURE: 2397000 153.663 -89.6454 -54.4371 -113.079 65.5746 -23.0917 71.0502 123.465 177.765 PRESSAVG: 2397000 -27.7724 -65.369 20.2919 -65.369 64.0998 39.916 20.2919 39.916 -68.06 GPRESSAVG: 2397000 -28.2337 -64.5158 19.4764 -68.2792 63.5858 40.1168 20.7013 41.194 -67.0884 TIMING: 2397000 CPU: 7225.41, 0.00301717/step Wall: 7225.41, 0.00301717/step, 2.18158 hours remaining, 207.910156 MB of memory in use. ENERGY: 2397000 711.8212 2084.1581 1951.8831 115.1333 -206210.7431 17799.8134 0.0000 0.0000 34188.4524 -149359.4815 298.5763 -183547.9339 -149260.6596 299.0596 98.8380 132.3343 557190.6542 -10.5775 -10.5788 PRESSURE: 2397200 100.001 35.8793 -126.264 35.8793 253.117 -68.2575 -126.266 -68.2581 227.228 GPRESSURE: 2397200 121.017 62.9118 -127.796 -44.1278 281.246 74.3084 -121.365 -136.582 252.822 PRESSAVG: 2397200 -42.3696 21.4529 8.28252 21.453 22.3716 -89.0836 8.28269 -89.0836 33.1288 GPRESSAVG: 2397200 -42.0227 21.3746 10.4759 22.5716 21.5203 -87.9011 8.25742 -90.9367 33.5859 TIMING: 2397200 CPU: 7226.02, 0.00301985/step Wall: 7226.02, 0.00301985/step, 2.18335 hours remaining, 207.910156 MB of memory in use. ENERGY: 2397200 736.6969 2138.5223 1948.9709 124.1713 -206943.8193 18361.9550 0.0000 0.0000 34433.0186 -149200.4843 300.7121 -183633.5029 -149095.1066 299.5765 193.4484 218.3617 558646.6308 4.3769 4.3611 PRESSURE: 2397400 94.9988 -20.1013 40.3724 -20.102 -82.1962 86.8012 40.3711 86.8014 186.365 GPRESSURE: 2397400 133.921 83.1902 28.3689 -91.2455 -17.611 145.653 -25.7143 69.0727 178.363 PRESSAVG: 2397400 16.1792 34.5812 3.75395 34.5812 -24.8022 -62.5192 3.75404 -62.5192 18.7614 GPRESSAVG: 2397400 15.2139 33.1274 3.92308 35.9617 -25.5355 -62.607 2.61374 -60.2102 20.4345 TIMING: 2397400 CPU: 7226.62, 0.0030015/step Wall: 7226.62, 0.0030015/step, 2.16992 hours remaining, 207.910156 MB of memory in use. ENERGY: 2397400 722.3306 2128.9478 1933.4738 114.0323 -206692.2444 18005.9957 0.0000 0.0000 34286.1374 -149501.3268 299.4294 -183787.4641 -149405.1616 299.4477 66.3892 98.2243 558584.6009 3.3795 3.3710 PRESSURE: 2397600 -23.5146 62.7095 16.012 62.7084 178.333 -61.2432 16.0132 -61.2428 -115.727 GPRESSURE: 2397600 46.4211 126.454 -34.8685 84.0352 120.291 -113.245 58.9926 -83.2107 -29.878 PRESSAVG: 2397600 57.7725 31.0133 28.7565 31.0134 35.0351 70.8096 28.7565 70.8094 -43.2768 GPRESSAVG: 2397600 58.9947 31.5171 28.4285 29.6616 35.8394 71.6488 31.2278 66.6939 -44.968 TIMING: 2397600 CPU: 7227.22, 0.00299501/step Wall: 7227.22, 0.00299501/step, 2.16506 hours remaining, 207.910156 MB of memory in use. ENERGY: 2397600 708.0803 2065.4445 1936.2936 119.3743 -206399.7720 17942.2183 0.0000 0.0000 34159.2523 -149469.1087 298.3212 -183628.3610 -149370.8600 298.3865 13.0306 45.6113 558244.9637 16.5103 16.6221 PRESSURE: 2397800 -14.0229 -26.9158 -67.002 -26.9161 -68.1445 -214.608 -67.0035 -214.608 63.3656 GPRESSURE: 2397800 -5.41445 -19.8418 -130.2 -38.2762 -29.4168 -273.234 -16.9416 -198.965 120.87 PRESSAVG: 2397800 -31.7351 31.9182 -48.858 31.9182 67.7266 -5.25602 -48.8579 -5.256 -48.4606 GPRESSAVG: 2397800 -32.6593 29.468 -48.6024 34.1467 68.8243 -6.99953 -51.3104 -2.07162 -49.1231 TIMING: 2397800 CPU: 7227.82, 0.00299643/step Wall: 7227.82, 0.00299643/step, 2.16592 hours remaining, 207.910156 MB of memory in use. ENERGY: 2397800 742.4106 2123.9389 1915.8181 108.5768 -206731.2912 17933.1548 0.0000 0.0000 34361.7021 -149545.6898 300.0893 -183907.3919 -149452.1646 298.4234 -6.2673 28.6795 555902.7945 -4.1563 -4.3194 PRESSURE: 2398000 -39.6107 92.585 8.88661 92.5855 -136.732 14.5992 8.88728 14.5983 64.766 GPRESSURE: 2398000 -27.6591 117.913 70.922 84.2388 -105.779 5.54196 36.1675 24.1726 109.694 PRESSAVG: 2398000 -34.1695 -37.8478 -22.296 -37.8478 53.8463 -9.0814 -22.296 -9.08145 51.1385 GPRESSAVG: 2398000 -33.5358 -34.6358 -21.8624 -42.3466 53.2175 -9.66266 -22.739 -9.92544 51.0635 TIMING: 2398000 CPU: 7228.42, 0.00301916/step Wall: 7228.42, 0.00301916/step, 2.18218 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: 2398000 763.3987 2098.3421 1975.1942 114.6848 -206869.0761 18030.1125 0.0000 0.0000 34357.9964 -149529.3474 300.0569 -183887.3438 -149433.5755 299.0136 -37.1921 -7.9147 557191.5129 23.6051 23.5817 PRESSURE: 2398200 -176.9 160.466 -6.063 160.467 -91.1291 -42.699 -6.06305 -42.6987 -61.8776 GPRESSURE: 2398200 -96.4649 172.918 -11.3747 118.099 -132.918 2.79993 -20.8419 -28.4704 7.57225 PRESSAVG: 2398200 -1.17136 45.6023 -13.4338 45.6023 1.14059 29.4288 -13.4338 29.4287 -27.5852 GPRESSAVG: 2398200 -1.4859 46.2206 -14.685 46.2331 0.950942 32.4633 -12.1005 28.8139 -27.2822 TIMING: 2398200 CPU: 7229.02, 0.00299951/step Wall: 7229.02, 0.00299951/step, 2.16781 hours remaining, 207.910156 MB of memory in use. ENERGY: 2398200 752.8577 2072.5136 1943.4825 114.9808 -206441.8347 17779.6963 0.0000 0.0000 34260.4431 -149517.8606 299.2050 -183778.3037 -149418.1342 298.4205 -109.9690 -73.9368 559065.4626 -9.2053 -9.2724 PRESSURE: 2398400 -69.9901 -16.1216 -156.025 -16.121 -138.205 37.9147 -156.024 37.914 -171.526 GPRESSURE: 2398400 -28.8673 -103.924 -201.561 -0.30673 -70.0363 -100.447 -129.122 123.201 -175.047 PRESSAVG: 2398400 -5.87152 -0.691195 0.385428 -0.69118 -29.6984 19.476 0.385323 19.4761 34.0303 GPRESSAVG: 2398400 -6.81069 -3.0485 1.30924 1.52388 -28.7241 18.4485 -0.916057 18.7519 33.0387 TIMING: 2398400 CPU: 7229.62, 0.00301842/step Wall: 7229.62, 0.00301842/step, 2.18131 hours remaining, 207.910156 MB of memory in use. ENERGY: 2398400 740.6233 2083.3074 1940.0248 118.5464 -206445.1447 17746.7875 0.0000 0.0000 34202.2631 -149613.5922 298.6969 -183815.8553 -149514.4863 298.5462 -126.5737 -91.3168 557944.5508 -0.5132 -0.8320 PRESSURE: 2398600 2.74208 -89.4136 -72.5915 -89.4142 206.331 16.5509 -72.5912 16.5525 94.8171 GPRESSURE: 2398600 -7.20438 -147.141 -99.9767 -57.6917 240.21 109.531 -60.7589 -14.7191 158.77 PRESSAVG: 2398600 -23.1422 27.1311 58.7121 27.1312 23.2894 -5.30867 58.7121 -5.30868 10.5047 GPRESSAVG: 2398600 -21.9884 25.7383 57.6075 27.7089 21.58 -5.67686 58.9118 -5.27119 11.1011 TIMING: 2398600 CPU: 7230.22, 0.00298002/step Wall: 7230.22, 0.00298002/step, 2.15339 hours remaining, 207.910156 MB of memory in use. ENERGY: 2398600 704.6409 2111.5412 1963.2796 117.2920 -206616.6422 17961.3168 0.0000 0.0000 34048.8131 -149709.7586 297.3568 -183758.5717 -149610.7830 298.1682 101.2968 130.5919 555840.3492 3.5507 3.5642 PRESSURE: 2398800 -239.596 68.408 -62.8704 68.4086 -367.974 22.0728 -62.8704 22.0732 -121.036 GPRESSURE: 2398800 -165.656 60.4066 -28.3195 82.1434 -354.145 -29.672 -85.8022 24.0056 -106.324 PRESSAVG: 2398800 22.9873 -17.076 -5.91047 -17.076 -43.8677 15.0522 -5.91041 15.0522 -3.5376 GPRESSAVG: 2398800 23.3029 -15.5321 -4.42213 -16.6553 -43.7524 14.4238 -7.73023 16.93 -4.82923 TIMING: 2398800 CPU: 7230.81, 0.00296685/step Wall: 7230.81, 0.00296685/step, 2.14371 hours remaining, 207.910156 MB of memory in use. ENERGY: 2398800 753.7020 2036.4134 1957.5877 107.6739 -206058.7657 17501.1668 0.0000 0.0000 34157.1434 -149545.0784 298.3028 -183702.2219 -149454.7470 297.9422 -242.8685 -208.7081 556691.1147 -8.1393 -8.4263 PRESSURE: 2399000 -216.432 -95.9574 121.366 -95.9571 -49.673 -82.8689 121.366 -82.8703 -111.439 GPRESSURE: 2399000 -177.459 -63.0651 49.6002 -73.7668 -34.5739 -30.8394 73.1693 -130.366 -63.2594 PRESSAVG: 2399000 56.0482 -27.4576 29.7615 -27.4577 14.3976 -17.2656 29.7615 -17.2656 -50.2883 GPRESSAVG: 2399000 55.2177 -27.1686 28.8657 -29.0471 13.3748 -16.0351 30.0448 -17.4088 -48.9485 TIMING: 2399000 CPU: 7231.41, 0.00300816/step Wall: 7231.41, 0.00300816/step, 2.1734 hours remaining, 207.910156 MB of memory in use. ENERGY: 2399000 748.5355 2083.0771 1965.2663 118.9954 -206214.3407 17613.5183 0.0000 0.0000 33990.6645 -149694.2836 296.8489 -183684.9481 -149597.8855 298.4726 -125.8480 -91.7641 556178.4279 6.7192 6.5480 PRESSURE: 2399200 -83.0623 -51.972 0.476992 -51.973 -189.002 -26.1944 0.476844 -26.1947 92.2496 GPRESSURE: 2399200 -60.9474 -40.0118 -57.3495 -146.953 -131.778 -75.1185 28.4946 -102.916 108.059 PRESSAVG: 2399200 24.7615 -74.7291 26.4641 -74.729 -21.8061 -15.5127 26.464 -15.5127 25.5346 GPRESSAVG: 2399200 24.4121 -75.1271 23.4957 -74.8989 -21.0346 -17.6369 28.3697 -16.5292 24.8344 TIMING: 2399200 CPU: 7232.02, 0.00301254/step Wall: 7232.02, 0.00301254/step, 2.17639 hours remaining, 207.910156 MB of memory in use. ENERGY: 2399200 744.4020 2083.7879 1936.8260 119.2992 -206247.8820 17691.5201 0.0000 0.0000 34023.0482 -149648.9986 297.1317 -183672.0468 -149554.1550 298.2170 -59.9381 -28.2222 557481.6787 9.4966 9.4040 PRESSURE: 2399400 52.5643 -26.6639 -184.363 -26.6641 -378.36 158.615 -184.364 158.615 64.1043 GPRESSURE: 2399400 108.724 -34.0143 -192.099 25.9835 -356.904 96.6124 -117.823 214.325 75.2516 PRESSAVG: 2399400 10.5337 -77.8623 -3.80385 -77.8624 -28.7717 9.01295 -3.80386 9.01284 53.2566 GPRESSAVG: 2399400 10.846 -79.2554 -0.633376 -77.1485 -29.3362 10.8011 -3.26568 9.09511 53.5403 TIMING: 2399400 CPU: 7232.62, 0.00299902/step Wall: 7232.62, 0.00299902/step, 2.16646 hours remaining, 207.910156 MB of memory in use. ENERGY: 2399400 749.4347 2057.1560 1951.6356 94.5333 -206382.5776 17737.3950 0.0000 0.0000 34275.4777 -149516.9453 299.3363 -183792.4230 -149424.8041 298.0810 -87.2304 -57.6429 556246.9853 11.6729 11.6834 PRESSURE: 2399600 -82.6046 -13.9131 125.605 -13.9144 12.4492 -34.5387 125.605 -34.5382 262.245 GPRESSURE: 2399600 18.1262 58.7584 195.2 -98.3074 19.136 -25.6173 110.08 93.4335 233.451 PRESSAVG: 2399600 48.114 -31.7001 -11.6523 -31.7002 -50.8108 31.2478 -11.6523 31.2478 -3.77528 GPRESSAVG: 2399600 47.9139 -30.7874 -12.6779 -33.2526 -50.7051 30.5017 -12.136 34.2868 -4.07719 TIMING: 2399600 CPU: 7233.22, 0.00300212/step Wall: 7233.22, 0.00300212/step, 2.16853 hours remaining, 207.910156 MB of memory in use. ENERGY: 2399600 741.7283 2063.1159 1968.3622 106.9257 -206249.2607 17711.5270 0.0000 0.0000 34337.9973 -149319.6043 299.8823 -183657.6016 -149221.0632 299.0604 64.0300 90.2379 555972.2386 -2.1573 -2.2895 PRESSURE: 2399800 81.8209 177.927 -78.3621 177.927 131.364 -132.429 -78.3625 -132.428 -146.147 GPRESSURE: 2399800 81.6175 159.067 -50.9994 266.463 135.162 -174.464 -94.6498 -215.066 -55.5607 PRESSAVG: 2399800 -5.11938 11.459 -17.4062 11.459 -5.35943 22.7119 -17.4061 22.7117 -21.3693 GPRESSAVG: 2399800 -4.94601 12.0104 -16.2942 13.1824 -5.09006 23.9349 -19.6072 21.0677 -21.3123 TIMING: 2399800 CPU: 7233.81, 0.00298597/step Wall: 7233.81, 0.00298597/step, 2.1567 hours remaining, 207.910156 MB of memory in use. ENERGY: 2399800 762.5045 2155.7756 1922.4960 119.4440 -206640.5571 17972.5621 0.0000 0.0000 34275.5587 -149432.2163 299.3370 -183707.7750 -149338.7716 298.5527 22.3460 53.7395 556244.8258 -10.6160 -10.4495 PRESSURE: 2400000 -86.0799 -51.8591 -60.2524 -51.8605 -264.692 118.13 -60.253 118.132 -12.6882 GPRESSURE: 2400000 -55.3645 16.7637 -65.1488 -64.3625 -265.77 56.444 -11.1552 96.3069 61.7775 PRESSAVG: 2400000 33.1167 44.6571 21.0596 44.6572 -51.5397 9.11336 21.0596 9.11338 8.2702 GPRESSAVG: 2400000 32.3333 45.4527 20.5998 44.1756 -51.0483 6.55837 22.9405 9.46719 9.04969 TIMING: 2400000 CPU: 7234.42, 0.00301249/step Wall: 7234.42, 0.00301249/step, 2.17569 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: 2400000 733.1553 2038.8462 1954.1638 118.1468 -206288.2605 17731.9852 0.0000 0.0000 34401.3447 -149310.6184 300.4355 -183711.9631 -149211.5468 299.6037 -121.1534 -86.4525 557017.5107 -3.3843 -3.2218 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2400000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 2400000 WRITING COORDINATES TO RESTART FILE AT STEP 2400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2400200 -47.9992 40.4474 108.259 40.4473 123.072 110.432 108.259 110.433 157.654 GPRESSURE: 2400200 -41.5984 59.6204 93.1577 133.366 175.745 89.6193 122.856 163.755 208.526 PRESSAVG: 2400200 1.0333 -38.0958 45.8584 -38.0958 -1.30022 47.2761 45.8585 47.2761 16.7226 GPRESSAVG: 2400200 1.15185 -38.9006 45.473 -37.2095 -1.6096 49.3581 45.0401 45.855 17.2036 TIMING: 2400200 CPU: 7235.03, 0.0030856/step Wall: 7235.03, 0.0030856/step, 2.22832 hours remaining, 207.910156 MB of memory in use. ENERGY: 2400200 768.1674 2096.0135 1937.5328 113.2883 -206446.8458 17923.4782 0.0000 0.0000 34210.6991 -149397.6664 298.7705 -183608.3656 -149304.3759 298.6446 77.5757 114.2241 554990.5673 5.4852 5.5819 LDB: ============= START OF LOAD BALANCING ============== 7238.55 LDB: ============== END OF LOAD BALANCING =============== 7238.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7238.55 LDB: ============= START OF LOAD BALANCING ============== 7238.85 LDB: Largest compute 4801 load 0.030016 is 25.4% of average load 0.118061 LDB: Average compute 0.001730 is 1.5% of average load 0.118061 LDB: TIME 7238.85 LOAD: AVG 0.118061 MAX 0.203161 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.031 MB LDB: TIME 7238.85 LOAD: AVG 0.118061 MAX 0.203161 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.031 MB LDB: TIME 7238.85 LOAD: AVG 0.118061 MAX 0.203161 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.031 MB LDB: ============== END OF LOAD BALANCING =============== 7238.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7238.86 PRESSURE: 2400400 -142.819 -4.96428 102.249 -4.96491 331.261 -90.647 102.249 -90.6472 0.417915 GPRESSURE: 2400400 -93.5287 64.2225 83.7453 -31.9155 381.147 22.9081 62.498 -81.0296 5.94336 PRESSAVG: 2400400 -69.2296 6.96578 18.7661 6.96575 15.0434 -31.5456 18.7663 -31.5455 43.9317 GPRESSAVG: 2400400 -69.0944 8.53967 19.1173 6.2721 14.4621 -32.0884 19.8544 -31.2658 43.8649 TIMING: 2400400 CPU: 7235.64, 0.00304554/step Wall: 7235.64, 0.00304554/step, 2.19922 hours remaining, 208.941406 MB of memory in use. ENERGY: 2400400 726.2863 2040.7091 1968.0636 111.1790 -206740.6350 17973.1924 0.0000 0.0000 34558.6871 -149362.5174 301.8096 -183921.2045 -149264.2402 299.2906 62.9534 97.8540 555059.7063 -3.4182 -3.5891 PRESSURE: 2400600 129.138 138.153 47.9832 138.153 95.4362 30.875 47.983 30.8749 -115.057 GPRESSURE: 2400600 167.404 58.9624 -3.96211 95.1742 138.473 -31.8672 -2.99129 122.816 -108.783 PRESSAVG: 2400600 -30.2199 5.86469 -25.0413 5.86468 34.0206 -2.79776 -25.0413 -2.79781 7.82873 GPRESSAVG: 2400600 -30.1594 5.63894 -24.4543 3.40962 34.4936 -3.38124 -25.0963 -1.42729 7.41156 TIMING: 2400600 CPU: 7236.24, 0.00297617/step Wall: 7236.24, 0.00297617/step, 2.14896 hours remaining, 209.144531 MB of memory in use. ENERGY: 2400600 764.7695 2079.5889 1925.5955 107.5274 -206381.1723 18072.2038 0.0000 0.0000 34220.1073 -149211.3800 298.8527 -183431.4874 -149120.4556 299.8038 36.5059 65.6981 557617.0214 3.8765 3.9152 PRESSURE: 2400800 -72.3385 -28.6024 -247.86 -28.6023 -24.1916 -57.4106 -247.86 -57.411 286.672 GPRESSURE: 2400800 -83.6036 -63.596 -187.156 -32.368 14.5763 -116.217 -212.351 -18.1554 342.017 PRESSAVG: 2400800 23.0174 23.6762 9.13723 23.6762 -22.8866 29.3731 9.13715 29.3731 -6.3286 GPRESSAVG: 2400800 23.2322 21.7233 9.60263 26.1546 -23.3176 31.5269 8.63237 28.4128 -6.56902 TIMING: 2400800 CPU: 7236.83, 0.00295519/step Wall: 7236.83, 0.00295519/step, 2.13365 hours remaining, 209.144531 MB of memory in use. ENERGY: 2400800 738.1880 2102.2395 1947.6685 120.9831 -206258.3903 17858.6775 0.0000 0.0000 34298.2556 -149192.3781 299.5352 -183490.6337 -149094.0962 299.3138 63.3805 90.9966 556272.2588 -2.0659 -2.2181 PRESSURE: 2401000 -87.5744 6.62456 72.987 6.62536 -86.6509 169.764 72.9872 169.763 43.9527 GPRESSURE: 2401000 -62.459 -47.4327 28.5951 -66.843 -73.7693 188.957 119.938 157.054 102.083 PRESSAVG: 2401000 11.3375 -8.43746 7.93829 -8.4374 10.3153 -45.3233 7.93824 -45.3234 -30.2375 GPRESSAVG: 2401000 9.72622 -7.20028 6.5641 -10.401 11.2862 -45.8874 9.92448 -46.8525 -29.6593 TIMING: 2401000 CPU: 7237.43, 0.00299859/step Wall: 7237.43, 0.00299859/step, 2.16482 hours remaining, 209.144531 MB of memory in use. ENERGY: 2401000 745.7031 2065.7861 1921.2488 107.9252 -205928.9964 17748.7779 0.0000 0.0000 34371.0030 -148968.5523 300.1705 -183339.5553 -148866.5107 299.2778 -43.4242 -11.3818 558287.3136 -2.8616 -2.8823 PRESSURE: 2401200 -187.884 -29.33 200.546 -29.33 -4.73499 -196.946 200.546 -196.945 -107.504 GPRESSURE: 2401200 -95.3314 30.8346 198.223 -84.4564 27.8627 -116.789 262.775 -236.035 -140.447 PRESSAVG: 2401200 -38.868 -12.2266 21.0467 -12.2267 44.3651 18.3442 21.0468 18.3443 -26.8754 GPRESSAVG: 2401200 -37.7555 -11.1076 21.539 -12.6089 42.8268 18.9763 20.9327 19.2413 -26.8565 TIMING: 2401200 CPU: 7238.03, 0.00301434/step Wall: 7238.03, 0.00301434/step, 2.17602 hours remaining, 209.144531 MB of memory in use. ENERGY: 2401200 770.2555 2105.2558 1950.8905 104.5403 -205668.9273 17598.9142 0.0000 0.0000 34233.0902 -148905.9810 298.9661 -183139.0712 -148818.7381 299.8445 -100.0410 -69.3052 557645.2731 -7.1261 -7.2617 PRESSURE: 2401400 197.388 3.83887 -0.77002 3.84003 245.542 -32.8308 -0.77012 -32.8299 176.427 GPRESSURE: 2401400 282.283 54.7523 19.2369 -44.5001 246.259 -96.868 -12.9207 -21.8778 194.936 PRESSAVG: 2401400 7.08908 22.5149 -8.90683 22.515 56.3688 3.0968 -8.90684 3.09685 -53.6947 GPRESSAVG: 2401400 7.4939 19.8227 -7.94282 26.5406 56.9568 0.402975 -9.0447 3.39756 -54.7027 TIMING: 2401400 CPU: 7238.64, 0.0030272/step Wall: 7238.64, 0.0030272/step, 2.18513 hours remaining, 209.144531 MB of memory in use. ENERGY: 2401400 707.3129 2104.8544 1922.5738 115.3793 -206184.3027 18030.3143 0.0000 0.0000 34189.6700 -149114.1980 298.5869 -183303.8680 -149022.1120 299.5879 206.4524 241.1591 556728.6920 3.2544 3.2493 PRESSURE: 2401600 -7.54715 151.198 -182.403 151.197 -7.44591 187.477 -182.404 187.477 -405.278 GPRESSURE: 2401600 1.95632 84.0966 -241.253 78.3154 9.79549 169.793 -100.103 178.49 -343.231 PRESSAVG: 2401600 15.009 17.1404 -37.2769 17.1404 45.0937 33.894 -37.2769 33.894 -100.007 GPRESSAVG: 2401600 14.2403 18.2853 -37.6119 15.7933 45.7749 33.3345 -36.9104 32.4645 -100.014 TIMING: 2401600 CPU: 7239.24, 0.00301429/step Wall: 7239.24, 0.00301429/step, 2.17564 hours remaining, 209.144531 MB of memory in use. ENERGY: 2401600 771.2085 2068.1789 1968.2784 115.3915 -206059.7696 17594.1963 0.0000 0.0000 34375.2932 -149167.2228 300.2080 -183542.5160 -149066.0492 299.2196 -140.0903 -110.4929 557056.7566 -13.3014 -13.3331 PRESSURE: 2401800 -5.37518 39.3171 28.2495 39.3159 -32.7374 48.7919 28.2491 48.7904 -24.6454 GPRESSURE: 2401800 2.93565 75.0028 -16.5888 84.3641 36.5749 58.6984 34.9925 50.3247 -16.9992 PRESSAVG: 2401800 42.825 76.3082 -7.05436 76.3081 -33.6093 12.8044 -7.05443 12.8044 -11.2964 GPRESSAVG: 2401800 42.2961 77.7477 -7.53455 75.2421 -33.8289 13.2316 -7.21003 15.6507 -10.7987 TIMING: 2401800 CPU: 7239.84, 0.00301431/step Wall: 7239.84, 0.00301431/step, 2.17549 hours remaining, 209.144531 MB of memory in use. ENERGY: 2401800 748.6001 2072.9618 1959.7506 110.0912 -206309.0126 17842.0999 0.0000 0.0000 34285.3859 -149290.1231 299.4228 -183575.5090 -149184.4753 298.8807 -20.9193 7.5038 558489.9381 -0.6936 -0.7772 PRESSURE: 2402000 -288.607 71.9977 -2.98244 71.9978 176.433 -83.5939 -2.9818 -83.5948 -261.333 GPRESSURE: 2402000 -224.159 96.9889 2.69135 37.0026 152.153 -141.273 46.5145 -45.8967 -212.675 PRESSAVG: 2402000 5.91522 19.4924 14.7397 19.4924 -23.7082 20.991 14.7396 20.9912 0.0769336 GPRESSAVG: 2402000 5.20586 19.528 15.3541 19.9549 -23.22 19.7334 14.9745 18.8815 0.603493 TIMING: 2402000 CPU: 7240.44, 0.0029971/step Wall: 7240.44, 0.0029971/step, 2.16291 hours remaining, 209.144531 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: 2402000 760.3670 2108.5556 1941.8617 118.7136 -206261.7060 17867.3743 0.0000 0.0000 34224.4853 -149240.3485 298.8909 -183464.8339 -149144.7896 298.7077 -124.5023 -94.8935 558552.6551 -5.9054 -5.8036 PRESSURE: 2402200 -152.54 134.246 79.8488 134.245 63.6903 150.511 79.8491 150.511 34.7183 GPRESSURE: 2402200 -89.0066 84.3032 171.184 164.508 84.3648 69.7096 -9.18205 194.211 49.0444 PRESSAVG: 2402200 36.4368 20.5236 16.5685 20.5235 -55.1785 -24.5596 16.5683 -24.5596 12.857 GPRESSAVG: 2402200 36.4454 19.6165 17.8338 21.025 -54.9633 -22.9062 14.7928 -25.2168 12.6119 TIMING: 2402200 CPU: 7241.04, 0.00300291/step Wall: 7241.04, 0.00300291/step, 2.16694 hours remaining, 209.144531 MB of memory in use. ENERGY: 2402200 726.8872 2093.2979 1956.9659 106.6311 -206280.3585 17869.5030 0.0000 0.0000 34404.1718 -149122.9017 300.4602 -183527.0734 -149030.0856 299.9545 -18.0438 14.8009 558392.7394 -1.9616 -1.9687 PRESSURE: 2402400 -165.948 -33.2591 10.7335 -33.2593 -58.8191 11.2771 10.7348 11.2771 -171.086 GPRESSURE: 2402400 -107.84 -110.192 21.4401 31.2841 -67.2958 38.8945 -36.2826 -77.4714 -126.683 PRESSAVG: 2402400 10.1211 13.1179 30.1438 13.1179 21.8148 -28.8938 30.1439 -28.8938 22.7135 GPRESSAVG: 2402400 10.2728 11.3157 26.5392 16.8123 20.9485 -29.7167 30.5277 -27.8269 23.4206 TIMING: 2402400 CPU: 7241.64, 0.0029832/step Wall: 7241.64, 0.0029832/step, 2.15254 hours remaining, 209.144531 MB of memory in use. ENERGY: 2402400 766.9712 2093.9421 1932.4942 114.0705 -205716.2096 17699.0665 0.0000 0.0000 34230.5744 -148879.0907 298.9441 -183109.6651 -148787.4490 300.4278 -131.9510 -100.6065 557718.7928 18.2164 18.2140 PRESSURE: 2402600 14.4308 -94.1305 -44.147 -94.1308 45.5686 -22.9566 -44.1466 -22.9571 144.074 GPRESSURE: 2402600 77.9402 -215.985 -15.5672 -74.4292 40.0154 -40.7793 -15.8352 -21.8916 178.015 PRESSAVG: 2402600 39.6426 -28.1162 -14.1848 -28.1163 19.8958 -70.9164 -14.1848 -70.9164 -13.2947 GPRESSAVG: 2402600 40.9649 -26.8359 -10.5359 -30.8383 19.3511 -69.9282 -16.3495 -72.4919 -13.4402 TIMING: 2402600 CPU: 7242.24, 0.00299968/step Wall: 7242.24, 0.00299968/step, 2.16427 hours remaining, 209.144531 MB of memory in use. ENERGY: 2402600 755.2981 2105.6969 1935.7377 104.2494 -206020.2757 17781.8237 0.0000 0.0000 34348.1568 -148989.3130 299.9710 -183337.4699 -148891.9764 300.2853 68.0243 98.6568 557334.3339 15.4146 15.6252 PRESSURE: 2402800 119.976 -38.9395 127.291 -38.94 78.5337 19.9307 127.291 19.9323 -133.364 GPRESSURE: 2402800 113.878 -65.3201 91.493 -90.3648 162.196 72.8946 157.703 -36.05 -115.03 PRESSAVG: 2402800 -53.5314 -41.2701 7.29199 -41.27 59.2766 -14.5243 7.29207 -14.5244 -13.3025 GPRESSAVG: 2402800 -55.3988 -41.3729 4.48218 -41.9842 60.9694 -14.7294 10.8215 -12.7536 -13.0926 TIMING: 2402800 CPU: 7242.85, 0.00303483/step Wall: 7242.85, 0.00303483/step, 2.18946 hours remaining, 209.144531 MB of memory in use. ENERGY: 2402800 726.1646 2152.7950 1930.8025 121.2149 -206027.1203 17770.0024 0.0000 0.0000 34258.3261 -149067.8147 299.1865 -183326.1408 -148974.1057 300.3973 21.7151 53.6813 559359.3455 -2.5191 -2.5073 PRESSURE: 2403000 57.8201 45.891 47.8947 45.8912 137.29 60.0353 47.8939 60.0347 -77.662 GPRESSURE: 2403000 66.2267 85.3653 64.1822 -21.4936 195.746 48.368 95.2509 43.7798 -37.0445 PRESSAVG: 2403000 -20.8182 -35.4415 39.1765 -35.4416 -32.8777 -2.36597 39.1765 -2.36602 27.1246 GPRESSAVG: 2403000 -19.072 -34.6332 39.9049 -36.3882 -34.3257 -2.36085 35.7082 -4.35116 27.4819 TIMING: 2403000 CPU: 7243.45, 0.00300351/step Wall: 7243.45, 0.00300351/step, 2.1667 hours remaining, 209.406250 MB of memory in use. ENERGY: 2403000 747.9854 2076.5513 1966.2168 103.7565 -206176.6012 18036.4627 0.0000 0.0000 34145.1941 -149100.4345 298.1985 -183245.6286 -149002.7152 299.8012 39.1493 74.9760 559398.5665 -8.8571 -8.6386 PRESSURE: 2403200 -42.4042 47.8242 212.958 47.8236 -94.9054 157.021 212.957 157.02 -287.194 GPRESSURE: 2403200 21.588 69.9132 106.854 90.4677 -84.0656 174.946 122.925 148.059 -263.536 PRESSAVG: 2403200 -9.64763 32.4248 -19.3034 32.4247 23.3354 50.4806 -19.3034 50.4807 20.7928 GPRESSAVG: 2403200 -8.82494 31.4025 -22.1245 33.7728 22.3829 50.6668 -18.0094 51.7838 20.5992 TIMING: 2403200 CPU: 7244.04, 0.00298678/step Wall: 7244.04, 0.00298678/step, 2.15446 hours remaining, 209.406250 MB of memory in use. ENERGY: 2403200 745.3627 2101.3345 1931.7591 107.3389 -206135.4069 17819.1128 0.0000 0.0000 34246.6085 -149183.8903 299.0841 -183430.4988 -149086.6421 299.2144 -141.5013 -108.6711 559395.7669 11.4935 11.3857 PRESSURE: 2403400 73.3912 72.3709 -94.371 72.37 -144.091 29.6843 -94.3709 29.6822 1.52556 GPRESSURE: 2403400 63.2391 3.49193 -65.3471 75.3101 -81.0847 -27.7797 -113.509 -17.4879 42.9813 PRESSAVG: 2403400 31.4699 -27.492 -34.3559 -27.4921 -33.0474 -7.71561 -34.3559 -7.71566 23.7826 GPRESSAVG: 2403400 29.011 -26.9131 -32.4275 -27.5704 -30.3609 -8.06846 -34.7813 -8.40769 23.1107 TIMING: 2403400 CPU: 7244.65, 0.00300587/step Wall: 7244.65, 0.00300587/step, 2.16807 hours remaining, 209.406250 MB of memory in use. ENERGY: 2403400 762.5777 2083.5803 1950.5410 101.7896 -206091.9754 17816.5391 0.0000 0.0000 34239.7469 -149137.2008 299.0242 -183376.9477 -149040.5990 299.3705 -23.0580 8.3786 557622.9718 7.4017 7.2536 PRESSURE: 2403600 138.933 -165.312 -7.27522 -165.312 -55.5622 64.2904 -7.27431 64.2904 -192.091 GPRESSURE: 2403600 144.163 -154.093 -14.3067 -140.151 8.04328 172.431 74.5777 63.5111 -164.934 PRESSAVG: 2403600 38.4613 -27.6296 -43.2154 -27.6295 29.0792 7.06781 -43.2155 7.06785 -30.6041 GPRESSAVG: 2403600 39.6558 -26.6053 -44.1681 -27.3923 29.2049 7.67409 -42.112 7.72335 -31.5747 TIMING: 2403600 CPU: 7245.25, 0.00302814/step Wall: 7245.25, 0.00302814/step, 2.18396 hours remaining, 209.406250 MB of memory in use. ENERGY: 2403600 725.5994 2071.7219 1942.1917 105.7627 -205868.1417 17633.6956 0.0000 0.0000 34376.1198 -149013.0505 300.2152 -183389.1703 -148917.5657 299.3841 -36.2403 -4.2426 556409.1541 12.3121 12.4287 PRESSURE: 2403800 -282.947 82.4893 4.03187 82.4884 24.1851 0.150465 4.03287 0.151774 -6.90547 GPRESSURE: 2403800 -189.101 85.4345 -40.2413 29.4953 68.4014 35.287 41.6416 -19.7342 -48.6159 PRESSAVG: 2403800 -25.4777 -8.37039 -21.2942 -8.37042 20.7685 -26.1802 -21.2941 -26.1801 -7.87139 GPRESSAVG: 2403800 -25.5692 -8.48335 -18.3966 -9.2519 19.4434 -26.6992 -22.1092 -26.7353 -6.78466 TIMING: 2403800 CPU: 7245.86, 0.00302815/step Wall: 7245.86, 0.00302815/step, 2.1838 hours remaining, 209.406250 MB of memory in use. ENERGY: 2403800 755.2495 2069.4594 1924.7816 114.2631 -205874.4058 17700.0306 0.0000 0.0000 34362.7435 -148947.8780 300.0984 -183310.6215 -148841.2274 300.1299 -88.5558 -56.4385 557293.3834 -4.1935 -4.3035 PRESSURE: 2404000 172.182 171.419 108.956 171.418 -20.9505 -11.7658 108.957 -11.7654 188.366 GPRESSURE: 2404000 205.468 193.169 29.2436 169.843 28.4901 49.0352 146.052 -51.1735 204.129 PRESSAVG: 2404000 -3.95334 3.07064 -51.95 3.07067 -22.2268 10.5485 -51.9501 10.5486 3.12508 GPRESSAVG: 2404000 -3.78337 0.539605 -54.5637 4.05133 -21.8828 10.1197 -52.2683 11.635 3.46786 TIMING: 2404000 CPU: 7246.45, 0.00299047/step Wall: 7246.45, 0.00299047/step, 2.15646 hours remaining, 209.406250 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: 2404000 754.6757 2108.3543 1940.0698 111.1868 -205903.1455 17871.8075 0.0000 0.0000 34352.0694 -148764.9819 300.0052 -183117.0514 -148669.9259 300.0104 113.1994 146.0288 557715.5117 -7.6850 -7.3994 PRESSURE: 2404200 180.229 72.4462 46.0407 72.4457 -118.409 -80.669 46.0403 -80.6688 -99.3048 GPRESSURE: 2404200 173.297 7.21672 106.681 69.3369 -57.8656 -50.956 108.761 -84.3164 -63.4222 PRESSAVG: 2404200 9.40262 24.6931 9.81517 24.693 -29.5135 17.5086 9.81517 17.5086 8.11715 GPRESSAVG: 2404200 10.1382 26.4324 10.014 26.8556 -29.5653 17.0923 11.3683 16.6133 8.12318 TIMING: 2404200 CPU: 7247.05, 0.00298647/step Wall: 7247.05, 0.00298647/step, 2.15341 hours remaining, 209.406250 MB of memory in use. ENERGY: 2404200 739.9290 2110.5606 1923.3512 119.0547 -205614.4420 17732.5337 0.0000 0.0000 34243.4146 -148745.5983 299.0563 -182989.0129 -148641.9726 300.8082 -12.4951 17.3365 559239.8982 -3.9979 -3.7680 LDB: ============= START OF LOAD BALANCING ============== 7250.57 LDB: ============== END OF LOAD BALANCING =============== 7250.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7250.57 LDB: ============= START OF LOAD BALANCING ============== 7250.86 LDB: Largest compute 4801 load 0.030207 is 25.6% of average load 0.118023 LDB: Average compute 0.001737 is 1.5% of average load 0.118023 LDB: TIME 7250.87 LOAD: AVG 0.118023 MAX 0.204558 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.133 MB LDB: TIME 7250.87 LOAD: AVG 0.118023 MAX 0.204558 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.133 MB LDB: TIME 7250.87 LOAD: AVG 0.118023 MAX 0.204558 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.133 MB LDB: ============== END OF LOAD BALANCING =============== 7250.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7250.87 PRESSURE: 2404400 56.7275 -117.831 -134.718 -117.832 169.94 -128.027 -134.717 -128.027 104.494 GPRESSURE: 2404400 151.129 -141.433 -96.224 -83.0503 188.442 -175.764 -205.768 -98.8188 95.4255 PRESSAVG: 2404400 3.96435 -22.7266 23.1259 -22.7267 0.164752 -16.3149 23.126 -16.3148 10.2218 GPRESSAVG: 2404400 2.88671 -21.8529 22.906 -26.4171 2.00123 -16.4493 22.4476 -17.9245 10.0354 TIMING: 2404400 CPU: 7247.66, 0.00302799/step Wall: 7247.66, 0.00302799/step, 2.18318 hours remaining, 209.257812 MB of memory in use. ENERGY: 2404400 764.1715 2041.1026 1926.5650 110.8648 -206005.7727 17948.8431 0.0000 0.0000 34411.9227 -148802.3030 300.5279 -183214.2256 -148700.9003 300.2698 110.3871 144.9989 557575.1710 4.7836 4.9745 PRESSURE: 2404600 -89.2819 38.7892 -46.9669 38.7884 -110.269 -15.1904 -46.9667 -15.1906 119.185 GPRESSURE: 2404600 -47.5547 -4.14993 1.44169 52.4055 -68.6248 31.3607 -109.315 -53.6206 141.768 PRESSAVG: 2404600 44.0118 44.0213 -42.1364 44.0213 -66.4087 -37.9905 -42.1364 -37.9906 14.9296 GPRESSAVG: 2404600 44.7274 41.8068 -41.6564 46.2709 -67.5648 -38.203 -41.8486 -37.0947 15.901 TIMING: 2404600 CPU: 7248.26, 0.00299018/step Wall: 7248.26, 0.00299018/step, 2.15575 hours remaining, 209.257812 MB of memory in use. ENERGY: 2404600 735.1358 2141.1848 1947.3980 119.7105 -206090.4620 17775.8855 0.0000 0.0000 34447.6787 -148923.4688 300.8401 -183371.1475 -148824.5561 299.6388 -26.7887 8.5297 556568.0339 -2.4891 -2.3121 PRESSURE: 2404800 155.139 12.3597 -179.576 12.3592 236.954 -38.7194 -179.577 -38.7197 94.9838 GPRESSURE: 2404800 270.85 100.229 -214.235 -13.2304 179.311 -12.313 -165.466 -36.0215 128.806 PRESSAVG: 2404800 23.7263 30.6072 -29.617 30.6071 -6.77634 -17.3032 -29.6171 -17.3032 8.49163 GPRESSAVG: 2404800 24.4518 31.5544 -30.0208 29.0071 -7.11678 -14.9572 -29.4041 -17.5857 8.05521 TIMING: 2404800 CPU: 7248.85, 0.00299211/step Wall: 7248.85, 0.00299211/step, 2.15698 hours remaining, 209.257812 MB of memory in use. ENERGY: 2404800 797.1134 2082.9017 1942.8022 101.7304 -206569.8435 18253.5048 0.0000 0.0000 34382.0330 -149009.7580 300.2668 -183391.7910 -148911.8685 300.3628 162.3590 192.9888 556591.1203 8.4805 8.4634 PRESSURE: 2405000 -214.754 -109.228 124.959 -109.228 -93.1554 37.0062 124.96 37.0057 -128.707 GPRESSURE: 2405000 -149.571 -152.122 62.2804 -123.757 -60.2444 129.175 200.173 -58.3744 -129.438 PRESSAVG: 2405000 -23.4478 39.9761 15.7169 39.9762 22.5271 7.44508 15.717 7.44509 -31.7118 GPRESSAVG: 2405000 -24.3024 40.7754 14.7344 42.2657 23.5435 5.61641 15.4401 8.23182 -31.8425 TIMING: 2405000 CPU: 7249.45, 0.0030041/step Wall: 7249.45, 0.0030041/step, 2.16545 hours remaining, 209.257812 MB of memory in use. ENERGY: 2405000 758.5509 2084.9185 1947.0057 120.0293 -205937.7765 17515.6856 0.0000 0.0000 34372.2640 -149139.3225 300.1815 -183511.5865 -149046.3022 299.8034 -145.5388 -113.0846 558490.3356 -10.8775 -10.8671 PRESSURE: 2405200 -185.994 -79.3038 82.1981 -79.3046 -219.878 5.78564 82.198 5.78681 48.7224 GPRESSURE: 2405200 -142.107 -104.846 22.2529 -9.25476 -179.327 2.30115 34.6212 1.00132 67.2941 PRESSAVG: 2405200 -68.569 -33.0442 18.3605 -33.0442 26.8682 -6.13839 18.3607 -6.13841 45.5456 GPRESSAVG: 2405200 -68.3909 -34.2555 20.0367 -32.5234 25.1581 -5.91048 17.9352 -7.65301 46.4889 TIMING: 2405200 CPU: 7250.05, 0.003/step Wall: 7250.05, 0.003/step, 2.16233 hours remaining, 209.257812 MB of memory in use. ENERGY: 2405200 771.7711 2140.5442 1966.3990 119.7720 -205857.4191 17526.0661 0.0000 0.0000 34247.5564 -149085.3102 299.0924 -183332.8666 -148990.5456 300.2862 -119.0499 -84.7132 557410.7830 1.2816 1.0854 PRESSURE: 2405400 -105.363 -0.31538 -22.8591 -0.315854 85.6847 -66.4156 -22.8573 -66.4171 54.4087 GPRESSURE: 2405400 -59.6241 49.7971 4.35817 15.8814 150.314 -69.3399 -13.6031 -68.1676 47.0954 PRESSAVG: 2405400 -41.8224 -24.7059 14.1009 -24.7059 -33.9243 -22.0069 14.1009 -22.007 59.3286 GPRESSAVG: 2405400 -40.8473 -23.3509 9.62 -26.6727 -33.1806 -20.953 15.4242 -22.5037 57.6511 TIMING: 2405400 CPU: 7250.65, 0.00299026/step Wall: 7250.65, 0.00299026/step, 2.15515 hours remaining, 209.257812 MB of memory in use. ENERGY: 2405400 736.8545 2092.5793 1964.8306 113.9949 -206123.4403 17892.2472 0.0000 0.0000 34300.0086 -149022.9253 299.5505 -183322.9338 -148931.5065 299.7360 11.5769 45.9283 559286.6912 -5.4727 -5.4589 PRESSURE: 2405600 -235.568 205.958 -71.6776 205.959 -88.1769 53.6494 -71.6785 53.6489 -224.151 GPRESSURE: 2405600 -152.55 179.974 -48.7135 222.043 -94.08 70.6501 -111.319 -29.8131 -199.274 PRESSAVG: 2405600 -43.5649 49.5203 1.96024 49.5203 -46.7628 47.5342 1.96021 47.5343 -7.65789 GPRESSAVG: 2405600 -43.7915 49.7504 6.52959 50.7469 -46.615 44.6829 0.634187 49.2673 -7.51828 TIMING: 2405600 CPU: 7251.25, 0.00298789/step Wall: 7251.25, 0.00298789/step, 2.15327 hours remaining, 209.257812 MB of memory in use. ENERGY: 2405600 778.0912 2081.7883 1958.3310 112.6660 -206110.1899 17731.6086 0.0000 0.0000 34462.7537 -148984.9510 300.9718 -183447.7047 -148891.9639 300.1438 -182.6317 -148.6346 560280.6687 -32.6619 -32.6416 PRESSURE: 2405800 35.6221 123.537 21.8147 123.536 57.2817 164.912 21.8145 164.911 -19.3715 GPRESSURE: 2405800 32.635 126.998 61.3697 130.381 143.642 184.419 11.55 99.9579 -11.3965 PRESSAVG: 2405800 -25.7388 -17.9841 13.0311 -17.9841 45.2687 45.7852 13.0312 45.7853 -18.7884 GPRESSAVG: 2405800 -26.0608 -18.3211 11.0824 -17.0188 44.6709 48.5936 14.1046 45.3365 -17.971 TIMING: 2405800 CPU: 7251.85, 0.0029927/step Wall: 7251.85, 0.0029927/step, 2.15657 hours remaining, 209.257812 MB of memory in use. ENERGY: 2405800 738.4363 2095.1355 1949.3471 112.6768 -206263.3854 17899.8338 0.0000 0.0000 34374.4610 -149093.4949 300.2007 -183467.9559 -149000.1409 299.8700 24.5107 54.9602 558446.7786 0.2472 0.2131 PRESSURE: 2406000 -125.588 -92.2389 -217.512 -92.2388 -319.391 5.79571 -217.513 5.79521 -94.6143 GPRESSURE: 2406000 -169.9 -97.4723 -285.87 -94.7642 -245.568 -30.8939 -160.78 20.6423 -23.676 PRESSAVG: 2406000 -63.0139 -3.41841 18.9369 -3.41838 8.42729 19.531 18.9369 19.5311 18.4455 GPRESSAVG: 2406000 -63.1451 -1.98884 19.0835 -5.05426 9.07849 17.8973 19.9127 19.8562 17.7568 TIMING: 2406000 CPU: 7252.45, 0.00298614/step Wall: 7252.45, 0.00298614/step, 2.15168 hours remaining, 209.257812 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: 2406000 751.8410 2070.6099 1939.3154 107.3019 -206294.3409 17705.5438 0.0000 0.0000 34367.4296 -149352.2992 300.1393 -183719.7289 -149251.6809 298.8461 -179.8646 -146.3814 557303.0703 -12.0470 -12.1033 PRESSURE: 2406200 -203.309 60.2006 44.2047 60.2006 -51.1463 38.5078 44.205 38.5073 -160.569 GPRESSURE: 2406200 -141.288 27.3181 96.9271 113.78 41.6425 71.4171 50.7025 -60.0124 -223.216 PRESSAVG: 2406200 -33.2035 32.8925 -20.0442 32.8924 -18.0254 6.36382 -20.0442 6.36374 -1.33478 GPRESSAVG: 2406200 -32.9477 33.9755 -19.046 32.0314 -18.5515 5.82824 -20.3379 5.96428 -1.92295 TIMING: 2406200 CPU: 7253.04, 0.00297329/step Wall: 7253.04, 0.00297329/step, 2.14225 hours remaining, 209.257812 MB of memory in use. ENERGY: 2406200 692.6592 2066.2386 1920.1002 109.2552 -205845.9473 17349.8246 0.0000 0.0000 34244.7440 -149463.1254 299.0679 -183707.8694 -149367.3128 298.9101 -138.3415 -107.6205 556320.8616 -17.5212 -17.8074 PRESSURE: 2406400 -304.187 30.4711 -172.779 30.4727 -62.737 5.96926 -172.779 5.96728 -272.451 GPRESSURE: 2406400 -236.253 73.4096 -154.884 63.2676 -6.1398 -39.1184 -125.367 56.8706 -308.564 PRESSAVG: 2406400 11.7226 54.1566 -27.2212 54.1567 4.35603 -30.2765 -27.2213 -30.2765 24.8471 GPRESSAVG: 2406400 13.5313 50.998 -29.7049 54.0185 2.46317 -32.7427 -27.0148 -29.4328 25.1374 TIMING: 2406400 CPU: 7253.64, 0.00297064/step Wall: 7253.64, 0.00297064/step, 2.14018 hours remaining, 209.257812 MB of memory in use. ENERGY: 2406400 745.6333 2089.2631 1966.2932 114.3785 -206410.9976 17561.6816 0.0000 0.0000 34389.0530 -149544.6949 300.3282 -183933.7479 -149443.2094 299.0373 -213.1250 -183.6524 556083.0634 13.6419 13.7106 PRESSURE: 2406600 -187.313 -0.799089 -59.0809 -0.799012 -257.497 -111.673 -59.0803 -111.674 -19.4384 GPRESSURE: 2406600 -180.555 -36.3642 -48.2566 31.3054 -181.035 -158.347 -14.0273 -42.795 -0.0354182 PRESSAVG: 2406600 -0.691745 19.3726 -21.9933 19.3726 4.61866 7.61549 -21.9932 7.61555 -42.0334 GPRESSAVG: 2406600 -1.83743 19.9388 -19.9645 20.8781 5.66704 8.92427 -22.5841 7.21344 -41.8933 TIMING: 2406600 CPU: 7254.23, 0.00299051/step Wall: 7254.23, 0.00299051/step, 2.15433 hours remaining, 209.257812 MB of memory in use. ENERGY: 2406600 760.9986 2072.4633 1922.6903 116.5443 -206248.3230 17674.1144 0.0000 0.0000 34250.3621 -149451.1500 299.1169 -183701.5121 -149346.7765 298.7148 -154.7494 -120.5416 558022.1106 -12.7021 -12.6879 PRESSURE: 2406800 -36.0697 -7.2388 116.736 -7.23959 -56.8193 -8.43981 116.734 -8.44103 -23.1204 GPRESSURE: 2406800 -7.91923 -47.354 131.443 80.1192 -28.4226 -38.1652 121.09 29.5683 19.69 PRESSAVG: 2406800 -4.81773 75.9206 -29.3823 75.9205 26.9017 -21.8932 -29.3823 -21.8933 -22.9407 GPRESSAVG: 2406800 -4.81243 77.587 -30.5979 75.6209 26.9975 -20.728 -29.1292 -23.3614 -22.501 TIMING: 2406800 CPU: 7254.83, 0.00299997/step Wall: 7254.83, 0.00299997/step, 2.16098 hours remaining, 209.257812 MB of memory in use. ENERGY: 2406800 752.8242 2093.2185 1935.6898 115.1562 -206323.2253 17699.0456 0.0000 0.0000 34350.5612 -149376.7299 299.9920 -183727.2911 -149271.2432 298.5432 -38.6698 -5.5506 557192.4973 -0.2856 -0.1053 PRESSURE: 2407000 -222.144 136.704 -221.798 136.705 -56.6353 31.118 -221.799 31.1175 -120.042 GPRESSURE: 2407000 -151.505 91.728 -193.061 174.68 -50.0443 -30.4813 -225.568 17.679 -94.4711 PRESSAVG: 2407000 5.31694 19.3516 -33.6575 19.3516 26.5236 -29.6254 -33.6575 -29.6254 -12.2167 GPRESSAVG: 2407000 4.06934 18.3311 -32.169 19.8014 27.3411 -31.0513 -35.9182 -28.6587 -12.1833 TIMING: 2407000 CPU: 7255.43, 0.00297112/step Wall: 7255.43, 0.00297112/step, 2.14003 hours remaining, 209.269531 MB of memory in use. ENERGY: 2407000 731.5463 2069.8897 1931.2239 110.6029 -205932.2529 17548.9507 0.0000 0.0000 34136.8910 -149403.1484 298.1260 -183540.0394 -149307.8425 299.5373 -132.9406 -98.6735 558134.8082 6.5413 6.4090 PRESSURE: 2407200 -301.662 -113.088 173.28 -113.089 -83.6449 -244.707 173.28 -244.709 -214.11 GPRESSURE: 2407200 -292.551 -119.363 107.904 -79.4529 -52.9421 -255.523 259.983 -228.164 -136.702 PRESSAVG: 2407200 -71.429 35.0756 1.89454 35.0756 34.4018 -30.5961 1.89454 -30.5962 47.3285 GPRESSAVG: 2407200 -71.4268 32.3904 2.84998 34.6589 34.0769 -31.1581 3.59603 -30.9032 47.8439 TIMING: 2407200 CPU: 7256.02, 0.0029778/step Wall: 7256.02, 0.0029778/step, 2.14468 hours remaining, 209.269531 MB of memory in use. ENERGY: 2407200 746.3150 2045.1897 1935.8113 110.0340 -205717.3767 17524.2039 0.0000 0.0000 33935.3890 -149420.4338 296.3662 -183355.8228 -149327.6566 298.7630 -199.8054 -160.7317 557649.1717 3.4338 3.4980 PRESSURE: 2407400 -131.661 -131.712 -195.266 -131.713 -163.41 -31.067 -195.266 -31.0676 -8.2675 GPRESSURE: 2407400 -135.096 -20.0166 -238.043 -118.032 -124.822 -56.9996 -96.7436 81.5046 54.0192 PRESSAVG: 2407400 -82.6221 8.70251 -8.44325 8.70249 119.14 -61.1446 -8.44327 -61.1446 -39.6814 GPRESSAVG: 2407400 -81.6883 10.2023 -10.6849 8.93151 119.008 -59.6524 -10.0843 -61.4376 -40.7585 TIMING: 2407400 CPU: 7256.63, 0.0030244/step Wall: 7256.63, 0.0030244/step, 2.17807 hours remaining, 209.269531 MB of memory in use. ENERGY: 2407400 731.1216 2032.1796 1913.0430 106.5602 -205991.7382 17585.4318 0.0000 0.0000 34103.1125 -149520.2896 297.8310 -183623.4021 -149429.2464 297.6741 -101.1129 -68.6330 556426.1804 -1.0544 -1.1464 PRESSURE: 2407600 7.6455 81.1016 -25.6379 81.1017 290.757 25.8035 -25.638 25.8017 -45.0311 GPRESSURE: 2407600 10.3665 76.3693 -52.0878 92.6766 348.36 51.6348 -50.4905 -76.8941 -18.7785 PRESSAVG: 2407600 -6.99748 14.8667 -17.3733 14.8668 88.265 -39.7078 -17.3733 -39.7077 -80.2875 GPRESSAVG: 2407600 -8.4238 15.3343 -15.4793 13.7 88.2063 -39.8314 -16.3706 -40.2396 -78.3849 TIMING: 2407600 CPU: 7257.23, 0.00300628/step Wall: 7257.23, 0.00300628/step, 2.16486 hours remaining, 209.269531 MB of memory in use. ENERGY: 2407600 735.4181 2070.1238 1914.1828 104.1778 -206440.1047 17946.3097 0.0000 0.0000 34255.7867 -149414.1058 299.1643 -183669.8925 -149311.7420 298.2311 84.4570 113.3160 556958.9397 0.3267 0.4659 PRESSURE: 2407800 -138.348 -84.7981 59.7479 -84.7988 -33.1526 13.268 59.7477 13.2685 -75.7637 GPRESSURE: 2407800 -72.3916 -56.999 62.5478 -131.206 27.661 106.889 42.7259 -17.4138 -103.616 PRESSAVG: 2407800 -8.24957 -59.5613 -48.6313 -59.5612 58.7491 -5.22302 -48.6313 -5.22301 -43.7859 GPRESSAVG: 2407800 -6.78239 -60.4624 -50.1018 -58.2171 57.9797 -6.19448 -48.0203 -4.66931 -44.2731 TIMING: 2407800 CPU: 7257.84, 0.003032/step Wall: 7257.84, 0.003032/step, 2.18321 hours remaining, 209.269531 MB of memory in use. ENERGY: 2407800 724.9101 2065.3209 1906.1080 101.2562 -206048.5384 17535.9763 0.0000 0.0000 34390.0855 -149324.8813 300.3372 -183714.9668 -149226.9089 299.4897 -82.4215 -49.4487 557052.0392 2.2379 2.3081 PRESSURE: 2408000 -164.762 42.674 -106.911 42.6731 -189.909 41.3781 -106.911 41.3791 -327.278 GPRESSURE: 2408000 -116.053 14.0466 -161.352 69.3076 -161.417 71.57 -203.768 84.5569 -312.575 PRESSAVG: 2408000 -97.354 -20.3281 -24.6216 -20.3281 6.50967 -0.35079 -24.6216 -0.35083 34.2913 GPRESSAVG: 2408000 -96.42 -21.0872 -24.905 -20.8956 7.6467 0.6327 -24.8935 -0.289632 32.6896 TIMING: 2408000 CPU: 7258.44, 0.00299882/step Wall: 7258.44, 0.00299882/step, 2.15915 hours remaining, 209.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2408000 728.6241 2121.0026 1938.5696 113.3609 -205844.8696 17414.9940 0.0000 0.0000 34294.8077 -149233.5109 299.5051 -183528.3185 -149136.3093 299.2976 -227.3162 -196.6815 559108.1555 -18.8510 -18.6945 PRESSURE: 2408200 39.4349 62.1347 118.404 62.135 -315.735 -10.8628 118.403 -10.8621 -139.313 GPRESSURE: 2408200 147.149 7.85987 96.291 106.766 -333.356 46.3363 149.867 -29.1953 -137.242 PRESSAVG: 2408200 -5.13923 31.9302 -17.9039 31.9302 16.1453 31.1702 -17.9039 31.1701 -35.1505 GPRESSAVG: 2408200 -6.48346 33.8516 -18.4706 31.1368 16.0442 29.9222 -18.6505 30.4469 -33.7965 TIMING: 2408200 CPU: 7259.04, 0.00302107/step Wall: 7259.04, 0.00302107/step, 2.175 hours remaining, 209.269531 MB of memory in use. ENERGY: 2408200 748.6788 2098.1132 1962.4579 111.3045 -206192.1108 17655.2305 0.0000 0.0000 34409.5756 -149206.7503 300.5074 -183616.3259 -149113.2954 299.2654 -138.5376 -107.8166 558465.7768 -8.0481 -8.0786 LDB: ============= START OF LOAD BALANCING ============== 7262.56 LDB: ============== END OF LOAD BALANCING =============== 7262.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7262.56 LDB: ============= START OF LOAD BALANCING ============== 7262.86 LDB: Largest compute 4800 load 0.030254 is 25.7% of average load 0.117938 LDB: Average compute 0.001741 is 1.5% of average load 0.117938 LDB: TIME 7262.87 LOAD: AVG 0.117938 MAX 0.205744 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.508 MB LDB: TIME 7262.87 LOAD: AVG 0.117938 MAX 0.205744 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.508 MB LDB: TIME 7262.87 LOAD: AVG 0.117938 MAX 0.205744 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.508 MB LDB: ============== END OF LOAD BALANCING =============== 7262.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7262.87 PRESSURE: 2408400 -106.294 -85.3908 -4.78033 -85.3914 -74.5929 -1.20765 -4.78009 -1.2057 -48.2277 GPRESSURE: 2408400 -127.491 -3.62048 39.4845 -144.845 5.47924 42.8971 -67.6108 -30.4099 -14.9718 PRESSAVG: 2408400 -35.6287 4.69195 -28.6986 4.69193 20.7428 -20.1539 -28.6987 -20.1538 -19.7568 GPRESSAVG: 2408400 -35.9473 4.77105 -28.0998 5.68996 21.6754 -17.2041 -26.8385 -20.8965 -20.1919 TIMING: 2408400 CPU: 7259.66, 0.00308187/step Wall: 7259.66, 0.00308187/step, 2.21861 hours remaining, 210.023438 MB of memory in use. ENERGY: 2408400 757.2695 2054.7734 1946.2403 105.1608 -206341.3258 17797.1921 0.0000 0.0000 34425.8745 -149254.8153 300.6497 -183680.6898 -149156.8854 299.2295 -76.3717 -45.6611 557100.9218 -11.5476 -11.4879 PRESSURE: 2408600 111.641 -18.1574 23.19 -18.1581 -12.9106 -26.8816 23.189 -26.8821 19.6209 GPRESSURE: 2408600 113.223 5.40915 37.6959 -20.9079 4.8093 -28.2822 36.8457 -17.1375 101.762 PRESSAVG: 2408600 2.46118 33.8567 26.517 33.8566 -5.80022 -26.1641 26.5169 -26.1641 27.2676 GPRESSAVG: 2408600 4.50295 35.4757 25.5967 33.2744 -8.00248 -26.9975 23.8157 -25.5517 27.4773 TIMING: 2408600 CPU: 7260.26, 0.00301186/step Wall: 7260.26, 0.00301186/step, 2.16803 hours remaining, 210.023438 MB of memory in use. ENERGY: 2408600 742.1332 2028.8920 1943.6846 119.9231 -206309.2605 17763.2099 0.0000 0.0000 34411.3339 -149300.0839 300.5227 -183711.4178 -149203.0440 299.1793 39.4506 73.2646 556565.0384 7.9762 7.9926 PRESSURE: 2408800 -232.633 54.7108 -52.21 54.7108 181.111 206.379 -52.21 206.38 278.281 GPRESSURE: 2408800 -127.589 16.9346 -28.0369 47.9789 213.161 176.114 -75.1804 133.641 233.41 PRESSAVG: 2408800 -91.2699 -25.2477 -16.7439 -25.2478 59.9655 23.4287 -16.7439 23.4287 17.8306 GPRESSAVG: 2408800 -92.1822 -25.7441 -16.5219 -24.7316 60.0742 22.939 -15.6815 21.8897 19.1989 TIMING: 2408800 CPU: 7260.86, 0.00299645/step Wall: 7260.86, 0.00299645/step, 2.15678 hours remaining, 210.093750 MB of memory in use. ENERGY: 2408800 711.3985 2070.5013 1938.4594 108.3899 -206245.7159 17842.1900 0.0000 0.0000 34285.2695 -149289.5072 299.4218 -183574.7767 -149200.0765 298.3852 75.5864 106.3274 555793.5585 -4.4913 -4.3030 PRESSURE: 2409000 -147.367 27.4597 -87.753 27.4579 73.8982 78.6266 -87.7542 78.6271 83.4078 GPRESSURE: 2409000 -116.521 0.632881 -144.388 63.3741 94.9165 68.9648 -74.123 116.063 137.892 PRESSAVG: 2409000 -55.7677 24.2781 -29.1416 24.2781 66.9854 -15.4082 -29.1415 -15.4083 21.0111 GPRESSAVG: 2409000 -54.5787 23.042 -29.6469 25.5908 67.8981 -14.9636 -28.1444 -14.7667 19.3361 TIMING: 2409000 CPU: 7261.46, 0.00300784/step Wall: 7261.46, 0.00300784/step, 2.16481 hours remaining, 210.093750 MB of memory in use. ENERGY: 2409000 771.3817 1990.6729 1940.3689 112.8925 -205920.0868 17662.0470 0.0000 0.0000 34294.5745 -149148.1492 299.5030 -183442.7237 -149046.9212 299.4843 3.3129 38.7625 557234.6106 10.7429 10.8852 PRESSURE: 2409200 -108.565 96.5697 -60.8105 96.5685 -82.6983 36.7253 -60.81 36.7263 -85.961 GPRESSURE: 2409200 -83.3426 54.575 -89.2039 72.8045 -45.3541 56.9228 -1.5949 -29.6106 -46.3192 PRESSAVG: 2409200 -47.1117 -28.0219 16.4766 -28.0219 46.9765 28.3056 16.4765 28.3057 2.4563 GPRESSAVG: 2409200 -48.1177 -26.4077 18.142 -30.0769 46.7054 28.1915 15.5488 29.6797 3.74137 TIMING: 2409200 CPU: 7262.06, 0.00300547/step Wall: 7262.06, 0.00300547/step, 2.16294 hours remaining, 210.093750 MB of memory in use. ENERGY: 2409200 723.5682 2092.2050 1911.7107 126.9018 -205846.0572 17626.7050 0.0000 0.0000 34268.4288 -149096.5377 299.2747 -183364.9664 -148995.2701 299.0327 -92.4081 -58.3386 556719.2354 0.7737 0.7764 PRESSURE: 2409400 -110.738 -85.2489 -53.0565 -85.2484 -6.73498 36.5551 -53.057 36.5554 138.446 GPRESSURE: 2409400 -110.183 -71.8429 6.58159 -154.309 30.5461 92.0149 -41.6423 -35.7492 190.661 PRESSAVG: 2409400 -7.65544 1.00955 -44.625 1.00946 17.5454 13.7625 -44.625 13.7625 25.4676 GPRESSAVG: 2409400 -7.60829 0.461647 -45.8958 0.774954 17.7966 12.35 -44.1199 13.3436 24.7821 TIMING: 2409400 CPU: 7262.66, 0.00302019/step Wall: 7262.66, 0.00302019/step, 2.17336 hours remaining, 210.093750 MB of memory in use. ENERGY: 2409400 790.2212 2144.8779 1896.7273 103.4751 -206135.0613 17865.7450 0.0000 0.0000 34303.4387 -149030.5760 299.5805 -183334.0147 -148934.3317 299.4441 6.9908 37.0080 557480.9644 11.7858 11.6568 PRESSURE: 2409600 -25.1349 -14.3368 96.9557 -14.3348 -192.725 65.2221 96.9554 65.2246 107.33 GPRESSURE: 2409600 26.1949 -2.76633 53.8002 46.8875 -168.547 42.5724 42.4155 79.4222 106.54 PRESSAVG: 2409600 -16.1455 -22.546 34.3841 -22.546 37.3081 -22.693 34.3841 -22.6928 22.4673 GPRESSAVG: 2409600 -16.303 -22.5305 32.377 -21.7754 37.1772 -22.2247 33.6194 -21.3291 23.3254 TIMING: 2409600 CPU: 7263.26, 0.00299653/step Wall: 7263.26, 0.00299653/step, 2.15617 hours remaining, 210.093750 MB of memory in use. ENERGY: 2409600 758.8840 2130.3216 1926.2148 114.7051 -205475.0224 17489.0453 0.0000 0.0000 34317.6421 -148738.2095 299.7045 -183055.8516 -148643.3051 299.8358 -36.8430 -11.9373 556912.4947 14.5433 14.7332 PRESSURE: 2409800 -40.2239 -161.675 14.0934 -161.675 45.1663 -18.5159 14.0934 -18.5119 -8.43307 GPRESSURE: 2409800 -55.2855 -116.467 58.4706 -106.041 79.7242 -27.3666 23.0838 -47.6918 64.4372 PRESSAVG: 2409800 -31.5042 -31.6207 -3.67697 -31.6209 13.8488 -24.8496 -3.67696 -24.8496 46.0659 GPRESSAVG: 2409800 -32.4349 -33.4922 -0.740165 -31.63 14.649 -24.3252 -2.18964 -26.5299 45.6624 TIMING: 2409800 CPU: 7263.87, 0.00301656/step Wall: 7263.87, 0.00301656/step, 2.17042 hours remaining, 210.093750 MB of memory in use. ENERGY: 2409800 745.0747 2126.3164 1935.8474 109.4383 -205898.0518 17603.9856 0.0000 0.0000 34464.4134 -148912.9761 300.9863 -183377.3895 -148816.0191 301.3723 -1.1635 29.6253 556741.6155 9.4702 9.2922 PRESSURE: 2410000 79.9169 -17.7641 27.2731 -17.7641 159.67 -93.2854 27.2725 -93.2828 93.7523 GPRESSURE: 2410000 132.071 52.6568 49.1417 -27.085 187.181 -22.1878 -51.4086 -156.073 109.612 PRESSAVG: 2410000 -44.6197 -5.70482 -36.7521 -5.70478 42.7395 49.4548 -36.7522 49.4549 23.328 GPRESSAVG: 2410000 -44.0663 -4.00961 -36.9396 -5.00809 41.3499 49.9089 -39.2044 48.6848 23.9546 TIMING: 2410000 CPU: 7264.47, 0.00302357/step Wall: 7264.47, 0.00302357/step, 2.17529 hours remaining, 210.093750 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: 2410000 726.5843 2085.7995 1942.5711 122.5575 -206415.6590 17872.2402 0.0000 0.0000 34429.9534 -149235.9531 300.6853 -183665.9065 -149129.6119 299.4047 111.1130 142.9548 554873.0642 7.1493 7.0794 PRESSURE: 2410200 -103.242 -104.79 0.125872 -104.792 -136.384 177.939 0.125858 177.939 -370.149 GPRESSURE: 2410200 -53.286 -216.706 6.87849 -85.4398 -170.572 124.956 35.9684 184.589 -311.384 PRESSAVG: 2410200 21.6233 0.468306 -13.9392 0.468368 -11.9841 19.7494 -13.9391 19.7494 9.90679 GPRESSAVG: 2410200 23.1014 -1.17696 -14.4678 0.773297 -12.8384 19.4402 -12.6289 20.7366 9.83571 TIMING: 2410200 CPU: 7265.07, 0.00300643/step Wall: 7265.07, 0.00300643/step, 2.16279 hours remaining, 210.093750 MB of memory in use. ENERGY: 2410200 761.8971 2116.6312 1930.4230 111.2412 -206531.9372 17695.6192 0.0000 0.0000 34504.4413 -149411.6842 301.3359 -183916.1255 -149315.6016 299.5589 -203.2584 -178.4140 557297.7208 6.5153 6.6996 PRESSURE: 2410400 7.95058 107.463 -140.206 107.465 110.104 163.32 -140.206 163.319 -72.2232 GPRESSURE: 2410400 50.0406 47.7832 -159.698 186.681 50.9838 139.267 -136.844 188.22 44.4941 PRESSAVG: 2410400 -14.2617 -17.0088 -63.5725 -17.0088 -5.42696 -8.25278 -63.5725 -8.25286 6.14638 GPRESSAVG: 2410400 -14.6609 -17.0094 -64.2951 -17.1256 -4.15325 -9.41557 -63.0831 -7.8231 5.55899 TIMING: 2410400 CPU: 7265.67, 0.00300223/step Wall: 7265.67, 0.00300223/step, 2.15961 hours remaining, 210.093750 MB of memory in use. ENERGY: 2410400 725.5693 2116.3830 1954.4930 123.8034 -206567.9847 18107.0086 0.0000 0.0000 34060.3009 -149480.4265 297.4571 -183540.7274 -149384.9622 298.6416 15.2772 48.5062 557215.1805 -4.5141 -4.4184 PRESSURE: 2410600 67.6253 26.1441 125.252 26.1448 111.243 55.4519 125.251 55.4529 168.323 GPRESSURE: 2410600 101.997 25.9267 -2.99955 111.672 166.276 46.4041 173.343 50.0064 184.367 PRESSAVG: 2410600 23.1185 1.68692 -55.763 1.68685 -29.7755 -15.8039 -55.7631 -15.804 17.687 GPRESSAVG: 2410600 22.3861 1.66571 -55.1361 2.34857 -29.0999 -14.9037 -55.3879 -14.9717 18.3466 TIMING: 2410600 CPU: 7266.27, 0.00300601/step Wall: 7266.27, 0.00300601/step, 2.16215 hours remaining, 210.093750 MB of memory in use. ENERGY: 2410600 755.7686 2147.4724 1962.0668 115.4665 -206729.6839 18080.8964 0.0000 0.0000 34172.3832 -149495.6300 298.4359 -183668.0133 -149410.6743 299.0587 115.7304 150.8801 556421.1173 3.6767 3.8776 PRESSURE: 2410800 2.23048 145.101 -210.927 145.103 161.199 160.976 -210.927 160.979 44.5122 GPRESSURE: 2410800 17.7154 162.222 -211.593 188.559 202.968 120.945 -216.403 135.714 97.8982 PRESSAVG: 2410800 51.0801 46.9259 -22.6978 46.926 10.7673 21.4582 -22.6978 21.4581 1.79449 GPRESSAVG: 2410800 51.9651 47.9826 -22.9104 47.0304 10.9119 20.9178 -23.3361 18.1649 0.538562 TIMING: 2410800 CPU: 7266.88, 0.00300772/step Wall: 7266.88, 0.00300772/step, 2.16322 hours remaining, 210.093750 MB of memory in use. ENERGY: 2410800 710.1789 2128.3006 1955.6225 112.4346 -206139.7346 17778.6113 0.0000 0.0000 34026.9251 -149427.6617 297.1656 -183454.5868 -149337.1109 298.4412 69.3138 106.1938 557790.5996 21.2140 21.1385 PRESSURE: 2411000 -144.684 80.3524 -51.7779 80.3535 -175.07 -149.823 -51.7767 -149.821 276.518 GPRESSURE: 2411000 -106.418 74.1055 1.21373 104.129 -169.627 -78.7916 -96.2032 -105.86 344.547 PRESSAVG: 2411000 -44.924 33.7963 -39.4497 33.7963 -35.549 8.52282 -39.4497 8.52305 45.0192 GPRESSAVG: 2411000 -45.4452 34.1452 -35.5746 32.7633 -36.4469 8.77239 -39.9658 9.62046 46.3188 TIMING: 2411000 CPU: 7267.48, 0.00301514/step Wall: 7267.48, 0.00301514/step, 2.16839 hours remaining, 210.093750 MB of memory in use. ENERGY: 2411000 737.9606 2092.1618 1940.2151 113.5433 -206404.5950 17905.6522 0.0000 0.0000 34030.5007 -149584.5611 297.1968 -183615.0619 -149491.7518 298.9959 -14.4121 22.8342 557161.2086 -11.8179 -11.8578 PRESSURE: 2411200 -225.167 -68.242 -41.3029 -68.2418 142.566 -27.5918 -41.3019 -27.5907 86.7207 GPRESSURE: 2411200 -184.735 -19.8582 -6.05255 -146.132 166.697 -51.7684 -54.9514 -36.4038 108.966 PRESSAVG: 2411200 18.6383 -22.0623 -14.694 -22.0623 3.85665 -0.588076 -14.6939 -0.588012 -17.3999 GPRESSAVG: 2411200 17.6697 -23.6785 -17.6918 -20.4507 4.17791 -0.655777 -15.0034 -0.221207 -16.6345 TIMING: 2411200 CPU: 7268.08, 0.0030105/step Wall: 7268.08, 0.0030105/step, 2.16489 hours remaining, 210.296875 MB of memory in use. ENERGY: 2411200 734.4233 2122.5630 1912.3569 109.6663 -206296.1017 17781.5144 0.0000 0.0000 34309.1574 -149326.4204 299.6304 -183635.5778 -149228.8245 298.7167 1.3732 30.3092 557630.8097 1.6983 1.7377 PRESSURE: 2411400 81.2287 -43.2737 -99.5396 -43.273 -62.6824 56.5783 -99.5395 56.5792 -221.482 GPRESSURE: 2411400 109.325 14.3645 -77.8942 -27.5713 -22.4024 67.6724 -67.4629 135.847 -177.694 PRESSAVG: 2411400 -55.3548 1.46802 16.7416 1.46806 -1.98594 36.9997 16.7416 36.9996 59.0783 GPRESSAVG: 2411400 -53.7678 3.53803 16.5949 -1.60275 -1.79893 38.3613 15.9711 37.9147 58.0229 TIMING: 2411400 CPU: 7268.68, 0.00300629/step Wall: 7268.68, 0.00300629/step, 2.16169 hours remaining, 210.296875 MB of memory in use. ENERGY: 2411400 754.3373 2089.5488 1946.9174 111.5084 -205787.4197 17590.2336 0.0000 0.0000 34229.5562 -149065.3181 298.9352 -183294.8743 -148973.7577 299.7336 -67.6453 -30.2571 556597.3312 0.5792 0.8187 PRESSURE: 2411600 162.986 -93.1332 55.089 -93.134 -74.6749 147.731 55.0898 147.732 -237.385 GPRESSURE: 2411600 178.331 -181.651 162.954 -101.105 -0.596143 170.606 64.0387 130.063 -229.971 PRESSAVG: 2411600 65.2303 4.75251 10.4556 4.75248 -52.6039 -12.1478 10.4555 -12.1478 -12.4063 GPRESSAVG: 2411600 65.5538 1.31146 11.4495 6.56704 -52.7318 -14.9397 10.6267 -13.134 -13.1149 TIMING: 2411600 CPU: 7269.28, 0.00296341/step Wall: 7269.28, 0.00296341/step, 2.13069 hours remaining, 210.296875 MB of memory in use. ENERGY: 2411600 743.0596 2116.5663 1921.8620 120.4508 -206156.6102 17624.6703 0.0000 0.0000 34486.5894 -149143.4119 301.1800 -183630.0012 -149041.7869 300.0194 -49.6913 -17.4120 556308.0545 0.0734 -0.0976 PRESSURE: 2411800 -97.6424 18.9728 -83.9273 18.9734 343.294 -28.4249 -83.9282 -28.4239 17.3237 GPRESSURE: 2411800 -45.4895 112.688 -93.5854 -10.5161 388.658 -120.88 -96.8695 73.1302 14.4041 PRESSAVG: 2411800 39.066 3.77059 36.3565 3.77067 -24.7037 -24.6815 36.3565 -24.6814 -62.5775 GPRESSAVG: 2411800 38.0468 5.27232 35.9414 2.59636 -24.8 -23.8754 37.1054 -24.3721 -61.6119 TIMING: 2411800 CPU: 7269.87, 0.00298837/step Wall: 7269.87, 0.00298837/step, 2.14847 hours remaining, 210.296875 MB of memory in use. ENERGY: 2411800 756.1743 2150.0492 1916.5703 105.8998 -206014.8677 17639.0855 0.0000 0.0000 34377.1428 -149069.9458 300.2241 -183447.0886 -148973.4644 299.5998 87.6584 119.1910 556727.7997 -16.0717 -16.1217 PRESSURE: 2412000 -2.95881 36.1379 74.6075 36.1377 196.14 151.378 74.6053 151.379 -21.323 GPRESSURE: 2412000 22.9726 115.085 117.802 140.167 242.441 44.9097 10.8787 184.83 12.7365 PRESSAVG: 2412000 52.7303 16.7369 1.83424 16.7368 83.2529 -4.65755 1.83413 -4.65759 -93.3963 GPRESSAVG: 2412000 53.6793 18.13 1.28485 14.4681 83.327 -4.70302 2.68001 -4.5627 -94.4051 TIMING: 2412000 CPU: 7270.47, 0.0030038/step Wall: 7270.47, 0.0030038/step, 2.1594 hours remaining, 210.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2412000 727.1624 2088.8074 1953.6484 132.3698 -206438.4742 17918.7205 0.0000 0.0000 34631.1613 -148986.6044 302.4425 -183617.7657 -148890.2543 300.2537 57.2862 92.7166 557913.7894 14.1956 14.2004 PRESSURE: 2412200 82.1648 -126.59 -65.6116 -126.59 288.765 82.8753 -65.6129 82.8765 42.2627 GPRESSURE: 2412200 156.715 -123.378 -30.0472 -130.935 309.741 24.6208 -128.116 146.554 34.3368 PRESSAVG: 2412200 70.0361 5.64947 63.0348 5.64945 -46.0657 3.16218 63.0347 3.16221 -69.0371 GPRESSAVG: 2412200 69.8345 4.0651 63.9054 9.05034 -46.3546 3.94239 59.7682 4.19501 -68.4756 TIMING: 2412200 CPU: 7271.08, 0.00302368/step Wall: 7271.08, 0.00302368/step, 2.17352 hours remaining, 210.296875 MB of memory in use. ENERGY: 2412200 740.1530 2132.9448 1969.6074 105.1837 -206356.8245 17904.7630 0.0000 0.0000 34506.6046 -148997.5680 301.3548 -183504.1726 -148899.9306 300.2697 137.7308 166.9312 555582.7883 -15.0222 -14.9986 LDB: ============= START OF LOAD BALANCING ============== 7274.6 LDB: ============== END OF LOAD BALANCING =============== 7274.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7274.6 LDB: ============= START OF LOAD BALANCING ============== 7274.9 LDB: Largest compute 4801 load 0.030258 is 25.6% of average load 0.118046 LDB: Average compute 0.001736 is 1.5% of average load 0.118046 LDB: TIME 7274.9 LOAD: AVG 0.118046 MAX 0.205742 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.77 MB LDB: TIME 7274.9 LOAD: AVG 0.118046 MAX 0.205742 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.77 MB LDB: TIME 7274.9 LOAD: AVG 0.118046 MAX 0.205742 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.77 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7274.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7274.91 PRESSURE: 2412400 -169.736 56.6326 71.0773 56.6325 -225.786 -14.9856 71.0771 -14.9857 -228.121 GPRESSURE: 2412400 -151.517 33.6702 65.7516 145.549 -187.607 -22.561 19.5328 -33.3277 -187.045 PRESSAVG: 2412400 -10.537 -20.0945 -15.684 -20.0945 4.51943 8.8411 -15.684 8.84118 23.6376 GPRESSAVG: 2412400 -10.8174 -20.0697 -14.9746 -21.2737 5.33652 8.18487 -12.8045 6.58849 22.6804 TIMING: 2412400 CPU: 7271.69, 0.00305461/step Wall: 7271.69, 0.00305461/step, 2.19559 hours remaining, 207.917969 MB of memory in use. ENERGY: 2412400 744.8635 2091.0150 1938.3756 112.6818 -205889.7297 17561.8524 0.0000 0.0000 34484.1859 -148956.7555 301.1590 -183440.9414 -148857.5482 300.0057 -207.8808 -175.3897 558905.8383 5.8733 5.7332 PRESSURE: 2412600 -62.9747 67.9649 89.6019 67.965 -179.604 66.5898 89.6015 66.5916 27.0537 GPRESSURE: 2412600 -50.1752 52.4873 120.764 122.263 -131.33 17.3021 125.994 75.7525 67.372 PRESSAVG: 2412600 16.0527 -4.0947 3.45384 -4.09478 42.4492 21.2682 3.45389 21.2681 -39.7384 GPRESSAVG: 2412600 17.1961 -3.98529 2.06924 -1.74809 42.3239 20.2243 2.73667 22.3234 -40.0276 TIMING: 2412600 CPU: 7272.29, 0.002999/step Wall: 7272.29, 0.002999/step, 2.15545 hours remaining, 207.917969 MB of memory in use. ENERGY: 2412600 772.6386 2093.2118 1958.9336 115.2503 -206238.8136 17809.6287 0.0000 0.0000 34373.6847 -149115.4660 300.1939 -183489.1507 -149012.2598 300.0101 -71.8418 -38.0443 556896.6549 6.2545 6.4975 PRESSURE: 2412800 24.6502 86.5138 -23.9253 86.5127 23.6338 -13.8868 -23.925 -13.8882 142.005 GPRESSURE: 2412800 51.3252 15.4902 -117.787 101.019 52.8713 40.1872 -19.1747 -42.369 173.562 PRESSAVG: 2412800 19.607 -49.8397 -27.0533 -49.8397 8.57475 -6.83283 -27.0533 -6.83283 -27.26 GPRESSAVG: 2412800 19.4279 -49.2101 -27.6214 -51.5177 8.38545 -2.72093 -26.7744 -9.74146 -26.76 TIMING: 2412800 CPU: 7272.89, 0.00298411/step Wall: 7272.89, 0.00298411/step, 2.14458 hours remaining, 207.917969 MB of memory in use. ENERGY: 2412800 770.0119 2046.0328 1954.7509 123.4516 -206373.0717 17932.1549 0.0000 0.0000 34264.9832 -149281.6863 299.2446 -183546.6696 -149186.8721 299.1347 63.4298 92.5863 555636.5115 0.3072 0.3511 PRESSURE: 2413000 85.2332 133.422 66.4574 133.421 -75.1241 153.497 66.4569 153.495 -90.9956 GPRESSURE: 2413000 72.3904 76.6454 131.645 141.029 -66.3093 179.344 76.9038 165.215 3.55098 PRESSAVG: 2413000 -14.0559 17.5616 -6.54245 17.5615 -10.1727 53.1523 -6.54238 53.1524 -10.7644 GPRESSAVG: 2413000 -14.3667 16.4908 -5.26688 17.7148 -10.1054 49.1138 -6.03374 56.3277 -11.1753 TIMING: 2413000 CPU: 7273.49, 0.00300635/step Wall: 7273.49, 0.00300635/step, 2.1604 hours remaining, 207.917969 MB of memory in use. ENERGY: 2413000 769.3534 2090.8009 1933.1596 120.1676 -206450.9889 17781.2718 0.0000 0.0000 34446.5117 -149309.7239 300.8300 -183756.2356 -149214.4265 298.4687 -26.9622 3.2107 555816.9652 -11.6643 -11.8825 PRESSURE: 2413200 -48.5478 178.414 -232.843 178.414 152.569 -118.813 -232.844 -118.811 -114.706 GPRESSURE: 2413200 76.5533 148.473 -258.282 157 88.6886 -37.1632 -187.209 -137.045 -88.363 PRESSAVG: 2413200 -8.33734 -6.18904 -57.3672 -6.18909 -17.7059 -67.3219 -57.3672 -67.3218 -0.121075 GPRESSAVG: 2413200 -7.59079 -5.25999 -56.1698 -5.3116 -18.7174 -65.4624 -59.028 -66.7815 0.352508 TIMING: 2413200 CPU: 7274.08, 0.0029803/step Wall: 7274.08, 0.0029803/step, 2.14151 hours remaining, 207.917969 MB of memory in use. ENERGY: 2413200 691.2125 2068.3566 1957.6694 117.4916 -206284.1077 17796.6322 0.0000 0.0000 34252.8879 -149399.8576 299.1390 -183652.7456 -149301.7324 299.1353 -3.5617 25.6263 557243.6175 -8.7214 -8.6519 PRESSURE: 2413400 120.601 136.938 81.042 136.938 172.572 2.9379 81.042 2.9389 216.598 GPRESSURE: 2413400 171.196 166.025 44.8345 85.4033 198.902 76.5714 146.845 -80.2974 230.758 PRESSAVG: 2413400 -41.9916 16.0803 10.7162 16.0803 -21.4087 -20.0766 10.7162 -20.0767 0.606506 GPRESSAVG: 2413400 -42.883 17.5687 9.72951 14.9383 -20.2818 -21.675 8.82179 -20.9538 0.16452 TIMING: 2413400 CPU: 7274.68, 0.00299507/step Wall: 7274.68, 0.00299507/step, 2.15196 hours remaining, 207.917969 MB of memory in use. ENERGY: 2413400 742.0916 2076.1899 1950.6617 103.8477 -206707.4960 18183.1226 0.0000 0.0000 34019.3889 -149632.1936 297.0998 -183651.5824 -149531.4209 298.0945 169.9235 200.2856 557145.6340 -20.9313 -21.0001 PRESSURE: 2413600 -214.897 -53.8941 -180.714 -53.8941 79.7932 -62.9519 -180.715 -62.9525 145.372 GPRESSURE: 2413600 -134.26 -90.5676 -184.65 -95.5518 94.8689 -20.9672 -122.588 -34.1561 151.687 PRESSAVG: 2413600 -34.7058 38.2252 12.9212 38.2252 40.1309 -0.79489 12.9212 -0.794763 -8.76709 GPRESSAVG: 2413600 -34.4402 35.7632 10.9598 39.014 38.8177 -1.07102 16.6659 -1.39265 -7.39843 TIMING: 2413600 CPU: 7275.28, 0.00297783/step Wall: 7275.28, 0.00297783/step, 2.13941 hours remaining, 207.917969 MB of memory in use. ENERGY: 2413600 695.7356 2114.6602 1958.5456 120.2593 -206089.3347 17665.1062 0.0000 0.0000 34089.3548 -149445.6729 297.7108 -183535.0277 -149356.7333 298.1762 3.4225 37.4320 557848.0525 -1.1140 -1.0070 PRESSURE: 2413800 82.1172 18.6267 -103.174 18.6251 236.823 78.862 -103.173 78.8629 153.597 GPRESSURE: 2413800 92.0787 -32.8083 -65.4124 -36.5539 325.773 114.822 -93.8306 166.269 142.314 PRESSAVG: 2413800 -5.47008 16.2394 -21.7377 16.2394 20.139 12.6697 -21.7377 12.6696 -45.3782 GPRESSAVG: 2413800 -5.37146 15.9388 -16.833 16.6175 20.941 13.3354 -25.4599 11.5731 -45.8207 TIMING: 2413800 CPU: 7275.87, 0.00297578/step Wall: 7275.87, 0.00297578/step, 2.13777 hours remaining, 207.917969 MB of memory in use. ENERGY: 2413800 732.6295 2099.4173 1938.1217 121.7402 -206571.7870 18031.8502 0.0000 0.0000 34416.3329 -149231.6952 300.5664 -183648.0281 -149129.1091 299.1375 157.5124 186.7216 557763.1541 -10.2364 -10.0837 PRESSURE: 2414000 -35.753 -45.9625 2.75509 -45.961 92.7938 18.6087 2.75508 18.6089 -198.814 GPRESSURE: 2414000 13.6002 -106.061 94.5122 -32.4555 114.887 2.04964 -37.2042 25.2323 -176.22 PRESSAVG: 2414000 6.385 22.5985 -2.34513 22.5985 35.0243 25.2241 -2.34513 25.2241 -49.3173 GPRESSAVG: 2414000 7.10158 24.2814 -5.01188 22.8749 35.5332 25.5328 0.0331656 25.4037 -50.4513 TIMING: 2414000 CPU: 7276.47, 0.00297315/step Wall: 7276.47, 0.00297315/step, 2.13571 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: 2414000 723.6598 2077.7213 1949.2707 117.5992 -206220.6888 17808.4624 0.0000 0.0000 34225.8123 -149318.1630 298.9025 -183543.9753 -149220.8396 299.2195 -47.2577 -15.9107 559112.7206 -2.6360 -2.6055 PRESSURE: 2414200 175.374 -89.5401 74.2138 -89.5396 82.3912 157.026 74.2136 157.026 237.34 GPRESSURE: 2414200 274.126 -14.592 108.868 -54.4137 82.8215 190.481 76.1935 204.735 246.968 PRESSAVG: 2414200 -31.3951 -1.68827 23.114 -1.68835 6.55959 7.36654 23.114 7.3666 28.9766 GPRESSAVG: 2414200 -31.7743 -0.81517 23.7006 -4.11024 6.47154 5.32103 21.6977 8.86989 30.0436 TIMING: 2414200 CPU: 7277.07, 0.003001/step Wall: 7277.07, 0.003001/step, 2.15555 hours remaining, 207.917969 MB of memory in use. ENERGY: 2414200 768.6380 2089.6572 1914.8452 121.5432 -206576.4390 18233.7052 0.0000 0.0000 34201.4568 -149246.5934 298.6898 -183448.0502 -149155.6891 298.3913 165.0350 201.3054 557782.0521 1.3804 1.5803 PRESSURE: 2414400 -60.2042 -47.3607 -6.65213 -47.3609 -241.401 84.4169 -6.65245 84.416 -297.288 GPRESSURE: 2414400 -42.2774 -64.1051 25.7956 -84.7186 -215.63 99.3881 58.3323 78.9976 -246.602 PRESSAVG: 2414400 86.2318 7.66365 47.9197 7.66366 -18.8618 29.9059 47.9198 29.9058 -45.3349 GPRESSAVG: 2414400 85.85 5.86417 46.681 7.79174 -18.7332 32.1942 50.3838 27.7144 -44.9487 TIMING: 2414400 CPU: 7277.67, 0.00301394/step Wall: 7277.67, 0.00301394/step, 2.16468 hours remaining, 207.917969 MB of memory in use. ENERGY: 2414400 757.7137 2022.1927 1935.0797 115.0995 -206042.2521 17556.7769 0.0000 0.0000 34286.0592 -149369.3305 299.4287 -183655.3897 -149275.1409 298.7369 -199.6313 -168.1697 556960.9633 7.3450 7.3894 PRESSURE: 2414600 -185.29 -47.7167 10.6374 -47.7154 -305.952 101.31 10.6383 101.31 -277.117 GPRESSURE: 2414600 -159.646 -93.8066 -7.88915 31.3304 -280.63 64.9786 9.70785 128.315 -227.593 PRESSAVG: 2414600 -37.3165 20.3127 -2.2199 20.3127 -12.7344 10.1378 -2.21988 10.1377 30.8463 GPRESSAVG: 2414600 -34.9889 21.9088 -1.08352 20.049 -13.2712 8.25996 -3.15704 11.2487 29.6327 TIMING: 2414600 CPU: 7278.27, 0.00300804/step Wall: 7278.27, 0.00300804/step, 2.16027 hours remaining, 207.917969 MB of memory in use. ENERGY: 2414600 760.6992 2101.7301 1916.2642 128.1953 -205513.5873 17431.5913 0.0000 0.0000 34072.2287 -149102.8785 297.5612 -183175.1072 -149010.1999 298.1040 -256.1197 -222.6230 557944.4354 -6.4015 -6.2092 PRESSURE: 2414800 53.3887 -50.5739 4.11119 -50.5741 -313.418 38.1353 4.11049 38.1343 -180.449 GPRESSURE: 2414800 69.2909 -27.8551 80.4898 -88.5167 -225.305 -38.0711 1.08577 77.7348 -181.668 PRESSAVG: 2414800 54.101 43.0961 -42.0034 43.0961 17.1404 39.227 -42.0034 39.2271 -56.2138 GPRESSAVG: 2414800 51.9846 41.7831 -41.9886 45.3868 17.1767 39.085 -43.9584 37.6565 -54.3103 TIMING: 2414800 CPU: 7278.87, 0.00299641/step Wall: 7278.87, 0.00299641/step, 2.15175 hours remaining, 207.917969 MB of memory in use. ENERGY: 2414800 752.3586 2112.9830 1954.0079 107.8895 -205807.2234 17610.0166 0.0000 0.0000 34122.9641 -149147.0038 298.0043 -183269.9679 -149048.8206 298.5385 -146.8262 -112.5606 559461.0580 5.0092 4.9503 PRESSURE: 2415000 -1.49787 -99.6629 -85.1635 -99.663 85.2507 -212.315 -85.164 -212.315 -167.399 GPRESSURE: 2415000 1.8735 -75.9812 -72.8622 -95.3522 136.426 -164.972 -18.4742 -227.798 -120.999 PRESSAVG: 2415000 -6.64512 -3.31633 22.6746 -3.31637 22.3701 -51.9628 22.6746 -51.9628 -45.9755 GPRESSAVG: 2415000 -6.38462 -2.38105 23.4685 -5.27335 22.1388 -50.6792 25.172 -51.9205 -46.3182 TIMING: 2415000 CPU: 7279.47, 0.00299315/step Wall: 7279.47, 0.00299315/step, 2.14925 hours remaining, 207.917969 MB of memory in use. ENERGY: 2415000 763.3561 2144.1311 1925.6744 100.2757 -205842.7880 17661.9053 0.0000 0.0000 34094.7666 -149152.6789 297.7581 -183247.4455 -149050.8571 298.9354 -27.8822 5.7666 558497.6061 -10.0835 -10.1880 PRESSURE: 2415200 -36.3525 137.994 -62.9127 137.994 99.5097 127.399 -62.9127 127.396 49.5595 GPRESSURE: 2415200 27.896 144.259 -67.8977 114.76 95.2631 133.207 -146.284 94.3382 80.8783 PRESSAVG: 2415200 9.19615 -22.206 -22.6079 -22.2061 7.75705 16.3886 -22.6078 16.3888 3.22745 GPRESSAVG: 2415200 9.33153 -24.3855 -22.4956 -20.6864 6.98338 15.0761 -24.3235 17.499 4.05674 TIMING: 2415200 CPU: 7280.07, 0.00298685/step Wall: 7280.07, 0.00298685/step, 2.14456 hours remaining, 207.917969 MB of memory in use. ENERGY: 2415200 730.9962 2128.0375 1924.3072 105.9517 -206049.2029 17842.4440 0.0000 0.0000 34168.6941 -149148.7722 298.4037 -183317.4664 -149050.1102 299.3076 37.5722 68.0125 557291.3814 6.7269 6.7906 PRESSURE: 2415400 -198.154 61.7176 -99.0407 61.7177 -368.806 7.69999 -99.0411 7.70092 -54.7074 GPRESSURE: 2415400 -204.843 24.7448 -56.3535 8.16859 -337.149 95.6795 -120.95 -8.44591 -2.17941 PRESSAVG: 2415400 47.3275 5.15828 -7.49407 5.15831 -7.20391 72.8589 -7.494 72.8589 -44.1977 GPRESSAVG: 2415400 46.9263 5.68682 -5.69757 4.62241 -6.39234 72.7487 -8.91238 73.3052 -44.9812 TIMING: 2415400 CPU: 7280.67, 0.00299502/step Wall: 7280.67, 0.00299502/step, 2.15026 hours remaining, 207.917969 MB of memory in use. ENERGY: 2415400 743.8057 2092.4283 1927.4427 117.4332 -205920.6073 17521.2840 0.0000 0.0000 34336.3176 -149181.8958 299.8676 -183518.2135 -149086.2674 299.7772 -207.2224 -181.3902 558506.5502 -1.3580 -1.4824 PRESSURE: 2415600 -64.7406 -0.433871 25.8186 -0.435263 62.3493 -38.1127 25.8188 -38.1125 -4.72692 GPRESSURE: 2415600 -71.9281 -29.4761 91.6232 8.36016 139.613 -40.4533 -26.946 39.9612 17.0403 PRESSAVG: 2415600 14.582 8.72675 -38.2852 8.72668 -33.3687 72.3173 -38.2852 72.3173 17.1413 GPRESSAVG: 2415600 15.5247 9.47029 -40.3024 6.70339 -34.0988 72.3894 -35.8209 72.035 16.2968 TIMING: 2415600 CPU: 7281.27, 0.00300431/step Wall: 7281.27, 0.00300431/step, 2.15676 hours remaining, 207.917969 MB of memory in use. ENERGY: 2415600 738.9560 2117.6769 1949.8664 125.0054 -206017.5363 17700.9282 0.0000 0.0000 34173.1743 -149211.9292 298.4428 -183385.1035 -149120.6191 299.8220 -2.3727 28.2418 556662.5214 -0.5485 -0.7591 PRESSURE: 2415800 18.8375 -109.896 -47.1099 -109.896 -97.5072 -150.117 -47.1095 -150.117 190.751 GPRESSURE: 2415800 62.4725 -68.561 6.52237 -90.0712 -63.4613 -147.233 -50.3025 -168.052 198.016 PRESSAVG: 2415800 0.340944 50.334 31.1325 50.3339 3.04139 -18.1183 31.1326 -18.1184 -8.25538 GPRESSAVG: 2415800 1.57167 52.0637 33.397 48.9919 3.2245 -18.3884 28.839 -18.3717 -9.2292 TIMING: 2415800 CPU: 7281.87, 0.00298896/step Wall: 7281.87, 0.00298896/step, 2.14557 hours remaining, 207.917969 MB of memory in use. ENERGY: 2415800 775.1945 2102.2723 1937.8359 107.8630 -206408.9065 18070.2446 0.0000 0.0000 34055.1532 -149360.3429 297.4121 -183415.4961 -149259.9349 299.1618 37.3604 65.6757 558378.0492 -1.6243 -1.4777 PRESSURE: 2416000 -128.869 163.075 20.7332 163.073 -185.981 11.4533 20.7346 11.4536 -19.8586 GPRESSURE: 2416000 -60.0998 134.391 26.2619 174.516 -189.286 14.9633 8.63887 24.6839 14.9073 PRESSAVG: 2416000 -19.4327 2.00506 -8.00026 2.00506 34.4102 47.5007 -8.00016 47.5007 -20.7705 GPRESSAVG: 2416000 -20.3738 0.60882 -9.17167 3.20495 34.09 49.7808 -6.73075 47.2326 -19.6521 TIMING: 2416000 CPU: 7282.47, 0.00300371/step Wall: 7282.47, 0.00300371/step, 2.15599 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: 2416000 788.5362 2122.2843 1917.1699 108.6357 -206180.1300 17692.7232 0.0000 0.0000 34305.1126 -149245.6681 299.5951 -183550.7807 -149148.6024 298.3090 -111.5695 -78.1593 559654.2191 -1.9310 -1.9786 PRESSURE: 2416200 -49.5396 54.4 -142.922 54.3999 134.252 87.4848 -142.922 87.4848 121.538 GPRESSURE: 2416200 -18.3932 80.7906 -116.706 102.14 144.114 95.3965 -217.093 134.235 175.603 PRESSAVG: 2416200 43.385 0.930648 -32.4837 0.930671 -57.0544 16.3878 -32.4837 16.3877 0.187769 GPRESSAVG: 2416200 43.0453 -0.27638 -31.4934 4.21903 -56.7369 14.5677 -34.277 18.3935 0.407713 TIMING: 2416200 CPU: 7283.07, 0.0030058/step Wall: 7283.07, 0.0030058/step, 2.15733 hours remaining, 207.917969 MB of memory in use. ENERGY: 2416200 771.7730 2119.0424 1911.8143 101.7758 -206291.1278 17971.3180 0.0000 0.0000 34459.5281 -148955.8761 300.9436 -183415.4042 -148858.1479 299.2285 68.7502 100.4413 558820.1108 -4.4939 -4.4280 LDB: ============= START OF LOAD BALANCING ============== 7286.58 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7286.58 LDB: =============== DONE WITH MIGRATION ================ 7286.58 LDB: ============= START OF LOAD BALANCING ============== 7286.88 LDB: Largest compute 4801 load 0.029456 is 25.0% of average load 0.118027 LDB: Average compute 0.001732 is 1.5% of average load 0.118027 LDB: TIME 7286.88 LOAD: AVG 0.118027 MAX 0.202458 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.996 MB LDB: TIME 7286.88 LOAD: AVG 0.118027 MAX 0.202458 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.004 MB LDB: TIME 7286.88 LOAD: AVG 0.118027 MAX 0.202458 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.004 MB LDB: ============== END OF LOAD BALANCING =============== 7286.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7286.89 PRESSURE: 2416400 2.4335 -139.832 118.307 -139.83 -118.472 7.01046 118.307 7.0128 -117.457 GPRESSURE: 2416400 48.6123 -100.046 120.326 -106.876 -116.903 -84.7145 139.216 62.4025 -59.0682 PRESSAVG: 2416400 9.44393 -12.5886 45.6843 -12.5885 20.8279 19.4063 45.6843 19.4061 -10.2853 GPRESSAVG: 2416400 10.5361 -13.578 44.4498 -13.5514 20.6949 20.3767 47.9976 18.2296 -11.704 TIMING: 2416400 CPU: 7283.67, 0.00303046/step Wall: 7283.67, 0.00303046/step, 2.17486 hours remaining, 207.910156 MB of memory in use. ENERGY: 2416400 765.9032 2123.0028 1926.9135 102.8309 -206254.8206 17826.8948 0.0000 0.0000 34332.2657 -149177.0098 299.8322 -183509.2755 -149072.7858 299.7763 -77.8319 -42.4529 557169.7326 6.6622 6.5090 PRESSURE: 2416600 -51.2594 59.5372 -158.322 59.5354 223.465 -63.2365 -158.321 -63.2379 -10.6884 GPRESSURE: 2416600 39.0175 91.9117 -153.525 37.5668 209.782 -2.41308 -83.691 -78.6918 20.0401 PRESSAVG: 2416600 -29.9209 19.9719 6.07937 19.9718 37.9209 -32.8298 6.07947 -32.8297 -25.6868 GPRESSAVG: 2416600 -30.4098 22.1267 6.74492 18.1306 38.6153 -33.0774 5.35065 -31.9211 -25.8502 TIMING: 2416600 CPU: 7284.27, 0.00297174/step Wall: 7284.27, 0.00297174/step, 2.13255 hours remaining, 208.121094 MB of memory in use. ENERGY: 2416600 761.8146 2072.8039 1906.7625 118.2429 -206443.8682 18019.2617 0.0000 0.0000 34246.6735 -149318.3091 299.0847 -183564.9826 -149229.7288 299.2765 53.8390 89.6133 557414.8579 -5.8956 -5.8816 PRESSURE: 2416800 7.57807 -12.2594 81.6494 -12.2592 160.174 -248.371 81.6494 -248.373 202.682 GPRESSURE: 2416800 87.8482 -19.7907 154.976 9.00657 179.49 -283.292 33.6664 -201.151 197.411 PRESSAVG: 2416800 -10.5149 6.45222 12.5323 6.4522 57.7637 -27.6717 12.5322 -27.6717 -18.16 GPRESSAVG: 2416800 -11.3213 7.23378 11.1218 7.0978 56.9856 -28.2439 14.4361 -27.7064 -17.2516 TIMING: 2416800 CPU: 7284.86, 0.00297132/step Wall: 7284.86, 0.00297132/step, 2.13209 hours remaining, 208.121094 MB of memory in use. ENERGY: 2416800 716.9157 2149.6130 1935.0335 114.1099 -206754.0986 18112.8802 0.0000 0.0000 34435.2101 -149290.3363 300.7313 -183725.5464 -149193.5505 299.0046 123.4780 154.9162 556535.6239 9.6962 9.4709 PRESSURE: 2417000 -182.422 -145.292 77.5961 -145.293 -249.498 -116.64 77.5953 -116.639 -404.235 GPRESSURE: 2417000 -127.523 -106.11 94.1999 -122.714 -201.29 -63.9243 2.45555 -143.939 -404.429 PRESSAVG: 2417000 7.89282 -15.3138 1.61976 -15.3138 25.7432 -41.3761 1.61978 -41.3761 -18.1711 GPRESSAVG: 2417000 7.70874 -15.0883 2.47909 -15.2217 26.3316 -41.0634 0.880757 -41.8136 -18.5053 TIMING: 2417000 CPU: 7285.46, 0.00299712/step Wall: 7285.46, 0.00299712/step, 2.15044 hours remaining, 208.121094 MB of memory in use. ENERGY: 2417000 751.1165 2113.4375 1929.7753 113.3528 -205706.2412 17371.4440 0.0000 0.0000 34250.3843 -149176.7308 299.1171 -183427.1151 -149078.8540 299.5883 -278.7186 -244.4140 556940.1781 5.1550 5.1783 PRESSURE: 2417200 -24.63 -13.8069 84.906 -13.8068 162.786 150.794 84.9056 150.796 41.1643 GPRESSURE: 2417200 18.5702 72.5355 136.039 -12.5309 138.031 182.642 129.072 112.762 119.434 PRESSAVG: 2417200 -42.5343 -44.5463 3.2618 -44.5463 73.9489 3.0632 3.26197 3.06317 6.41573 GPRESSAVG: 2417200 -42.5499 -45.4421 2.96537 -43.2038 73.2913 4.37882 3.99733 1.82955 7.02843 TIMING: 2417200 CPU: 7286.06, 0.0030031/step Wall: 7286.06, 0.0030031/step, 2.15456 hours remaining, 208.121094 MB of memory in use. ENERGY: 2417200 730.6201 2115.0019 1918.6108 126.3935 -206222.8803 17730.1021 0.0000 0.0000 34392.0133 -149210.1385 300.3540 -183602.1518 -149104.2775 299.3644 59.7734 92.0116 555267.5340 12.6101 12.5899 PRESSURE: 2417400 -25.5473 58.7836 -103.497 58.7843 15.5178 35.611 -103.495 35.6118 -60.4593 GPRESSURE: 2417400 57.1688 129.512 -125.768 91.9011 48.6355 -24.0341 -74.5447 11.7832 -75.2532 PRESSAVG: 2417400 9.55567 -4.716 -29.3691 -4.71594 25.6833 0.612994 -29.3691 0.612974 -1.50898 GPRESSAVG: 2417400 9.87459 -6.18422 -28.0329 -3.04087 25.3428 -0.351788 -30.0456 0.699471 -2.00029 TIMING: 2417400 CPU: 7286.66, 0.00300369/step Wall: 7286.66, 0.00300369/step, 2.15481 hours remaining, 208.121094 MB of memory in use. ENERGY: 2417400 757.7196 2092.3698 1940.4086 123.9543 -206015.5249 17624.9077 0.0000 0.0000 34305.7047 -149170.4603 299.6003 -183476.1650 -149073.2739 299.9975 -23.4963 10.1837 554778.9940 11.2433 11.0724 PRESSURE: 2417600 -193.882 156.89 -59.6194 156.889 136.176 -38.659 -59.6187 -38.6598 291.558 GPRESSURE: 2417600 -113.319 91.8922 -36.333 114.904 139.121 -49.9737 -90.3523 0.290871 287.418 PRESSAVG: 2417600 15.2245 7.95393 -40.1626 7.95394 9.94363 -47.7687 -40.1625 -47.7687 -8.42923 GPRESSAVG: 2417600 15.7044 7.7156 -41.3234 7.27542 10.212 -46.1295 -40.2878 -48.5515 -9.68214 TIMING: 2417600 CPU: 7287.26, 0.00296628/step Wall: 7287.26, 0.00296628/step, 2.12781 hours remaining, 208.121094 MB of memory in use. ENERGY: 2417600 757.6505 2091.1401 1936.8080 126.9801 -206227.9518 17930.3531 0.0000 0.0000 34348.2171 -149036.8029 299.9715 -183385.0201 -148943.4895 299.7041 77.9507 104.4067 556976.7999 5.5796 5.4114 PRESSURE: 2417800 -177.233 -115.879 49.871 -115.877 23.2925 -107.928 49.87 -107.928 139.122 GPRESSURE: 2417800 -132.633 -135.136 36.2467 -83.4804 31.1052 -69.3371 46.6914 -196.276 186.813 PRESSAVG: 2417800 -27.7317 -30.0416 -28.2105 -30.0417 -20.4305 -32.4481 -28.2105 -32.4482 34.9004 GPRESSAVG: 2417800 -28.1738 -30.2486 -27.1887 -28.4965 -21.2298 -34.4374 -27.8192 -31.3771 35.3445 TIMING: 2417800 CPU: 7287.86, 0.0029986/step Wall: 7287.86, 0.0029986/step, 2.15083 hours remaining, 208.121094 MB of memory in use. ENERGY: 2417800 814.7924 2095.2171 1931.5598 121.9259 -206508.1711 17900.9311 0.0000 0.0000 34421.1468 -149222.5979 300.6084 -183643.7448 -149118.4598 299.4540 -4.9395 28.4287 556617.4917 -4.4206 -4.6864 PRESSURE: 2418000 214.072 -63.431 -8.88546 -63.4338 100.491 223.37 -8.88439 223.369 -76.1157 GPRESSURE: 2418000 229.109 -59.8667 -68.6466 -53.8111 136.874 233.766 4.38201 152.941 -30.3932 PRESSAVG: 2418000 9.44745 -4.89719 -2.01641 -4.89729 -6.32326 -51.7245 -2.01641 -51.7244 -37.6711 GPRESSAVG: 2418000 8.83964 -4.0108 -3.64787 -6.20879 -6.08148 -51.3918 -1.1137 -52.0571 -37.7951 TIMING: 2418000 CPU: 7288.45, 0.00298335/step Wall: 7288.45, 0.00298335/step, 2.13973 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: 2418000 706.3636 2119.2490 1939.1792 104.1536 -206300.9561 17847.3110 0.0000 0.0000 34399.5321 -149185.1676 300.4197 -183584.6998 -149089.8905 299.4298 79.4826 111.8631 556130.0951 -11.5156 -11.6790 PRESSURE: 2418200 189.485 20.6606 -108.487 20.661 75.757 99.0526 -108.489 99.0523 68.5161 GPRESSURE: 2418200 224.726 52.8169 -132.839 -120.118 98.1723 176.609 -45.6279 -9.69967 93.5873 PRESSAVG: 2418200 49.6227 -8.41412 -34.8714 -8.41411 -73.6941 -31.1165 -34.8715 -31.1164 32.6962 GPRESSAVG: 2418200 49.3065 -5.63656 -34.5604 -11.0424 -72.3735 -30.6105 -34.5906 -32.1302 31.6595 TIMING: 2418200 CPU: 7289.05, 0.00297834/step Wall: 7289.05, 0.00297834/step, 2.13597 hours remaining, 208.121094 MB of memory in use. ENERGY: 2418200 756.3822 2056.5418 1926.3593 114.5428 -206476.3966 17905.5202 0.0000 0.0000 34331.4734 -149385.5771 299.8253 -183717.0504 -149282.5378 299.4351 111.2526 138.8287 555647.4915 2.8750 2.8642 PRESSURE: 2418400 -22.3241 272.678 -99.6329 272.678 -46.7389 -139.062 -99.6316 -139.061 -114.661 GPRESSURE: 2418400 37.5741 238.543 -169.859 269.225 -62.4328 -101.169 -44.4829 -164.442 -70.8301 PRESSAVG: 2418400 133.548 38.2113 -14.1716 38.2114 -21.8662 18.581 -14.1715 18.5811 -53.0633 GPRESSAVG: 2418400 132.085 35.7163 -14.4821 38.3408 -21.311 17.6635 -14.1371 19.8657 -52.3433 TIMING: 2418400 CPU: 7289.64, 0.00297535/step Wall: 7289.64, 0.00297535/step, 2.13366 hours remaining, 208.121094 MB of memory in use. ENERGY: 2418400 718.0432 2101.3501 1935.7166 113.0586 -205997.0676 17639.7519 0.0000 0.0000 34169.4606 -149319.6866 298.4104 -183489.1471 -149222.4235 298.8051 -61.2413 -31.8963 557247.6947 19.5395 19.4767 PRESSURE: 2418600 -227.636 -97.2838 -4.51381 -97.2846 76.0643 -19.0618 -4.51388 -19.0617 151.74 GPRESSURE: 2418600 -198.537 -43.8342 -68.9211 -85.4325 151.619 -117.096 -20.2739 -63.0875 133.127 PRESSAVG: 2418600 49.0343 -11.8115 -15.8601 -11.8115 -27.9788 32.026 -15.8601 32.0261 -62.6347 GPRESSAVG: 2418600 49.9523 -13.0007 -15.6654 -9.75905 -28.6017 32.1149 -16.645 32.8558 -63.2776 TIMING: 2418600 CPU: 7290.24, 0.00298082/step Wall: 7290.24, 0.00298082/step, 2.13741 hours remaining, 208.121094 MB of memory in use. ENERGY: 2418600 740.4911 2114.9368 1961.5594 114.6616 -206131.3809 17736.5465 0.0000 0.0000 34108.4951 -149354.6903 297.8780 -183463.1854 -149263.9701 298.7806 0.0562 28.7367 556646.3545 -13.8597 -13.9757 PRESSURE: 2418800 -195.423 -128.181 -76.1952 -128.18 -22.4324 -178.171 -76.1948 -178.171 -152.187 GPRESSURE: 2418800 -187.257 -190.92 -93.286 -198.031 46.9815 -198.818 -31.6438 -160.325 -126.214 PRESSAVG: 2418800 -6.85577 42.2667 5.07756 42.2668 55.5639 21.8922 5.0775 21.8923 -7.63546 GPRESSAVG: 2418800 -6.06497 43.8463 4.98702 41.3344 54.1404 22.0281 5.08216 20.9119 -6.45711 TIMING: 2418800 CPU: 7290.83, 0.00296967/step Wall: 7290.83, 0.00296967/step, 2.12925 hours remaining, 208.121094 MB of memory in use. ENERGY: 2418800 722.7620 2053.7462 1933.0308 118.0961 -205876.4448 17608.2436 0.0000 0.0000 34207.2860 -149233.2800 298.7407 -183440.5661 -149135.9091 298.7742 -123.3476 -88.8296 558576.3508 13.6909 13.8728 PRESSURE: 2419000 -59.3406 69.7712 140.313 69.7702 -202.697 -78.9365 140.313 -78.9364 -276.222 GPRESSURE: 2419000 -37.6474 78.7196 155.801 60.3657 -142.013 -57.1573 154.753 -75.2027 -254.036 PRESSAVG: 2419000 33.4115 -44.9997 -96.4866 -44.9996 -75.2369 -4.14406 -96.4866 -4.1441 11.583 GPRESSAVG: 2419000 33.6406 -43.4692 -95.1928 -46.7977 -75.9428 -4.81429 -97.882 -3.26701 11.6379 TIMING: 2419000 CPU: 7291.43, 0.00298161/step Wall: 7291.43, 0.00298161/step, 2.13765 hours remaining, 208.121094 MB of memory in use. ENERGY: 2419000 742.3060 2173.7924 1941.7323 115.6846 -205819.2827 17536.9607 0.0000 0.0000 34236.3786 -149072.4281 298.9948 -183308.8067 -148973.2603 299.7628 -179.4198 -144.5654 558415.8124 -10.0808 -10.2214 PRESSURE: 2419200 74.2639 -123.839 42.4709 -123.839 198.634 65.0732 42.472 65.0723 -264.315 GPRESSURE: 2419200 111.086 -114.896 -30.0624 -164.234 168.33 57.0837 33.5924 123.609 -173.833 PRESSAVG: 2419200 83.6903 -20.0023 -25.1144 -20.0024 -87.2195 -11.3495 -25.1144 -11.3494 -14.2023 GPRESSAVG: 2419200 83.1576 -21.8393 -26.7417 -17.3936 -86.4059 -11.9878 -25.4041 -10.3417 -15.1086 TIMING: 2419200 CPU: 7292.03, 0.00300336/step Wall: 7292.03, 0.00300336/step, 2.15307 hours remaining, 208.121094 MB of memory in use. ENERGY: 2419200 709.9477 2108.9289 1904.1362 108.9436 -206202.5025 17860.4710 0.0000 0.0000 34325.3157 -149184.7594 299.7715 -183510.0751 -149090.1608 299.7370 2.8611 35.1944 557897.9231 -5.9105 -6.1190 PRESSURE: 2419400 -71.9455 115.161 -97.5831 115.162 189.289 10.1839 -97.583 10.1823 169.058 GPRESSURE: 2419400 23.4348 123.933 -86.4126 122.259 187.441 9.82735 -137.364 -16.1876 168.943 PRESSAVG: 2419400 3.43951 -32.9548 52.6688 -32.9548 27.3674 12.0204 52.6688 12.0203 -27.9962 GPRESSAVG: 2419400 4.59254 -31.3641 51.7035 -33.4533 26.6376 13.638 53.5359 9.5571 -28.6932 TIMING: 2419400 CPU: 7292.63, 0.00298826/step Wall: 7292.63, 0.00298826/step, 2.14208 hours remaining, 208.121094 MB of memory in use. ENERGY: 2419400 753.5383 2070.8188 1936.6261 114.9047 -206220.1558 18034.0449 0.0000 0.0000 34146.8997 -149163.3234 298.2134 -183310.2230 -149079.9060 299.5635 95.4671 126.6063 557862.9554 0.9369 0.8457 PRESSURE: 2419600 377.983 23.6258 35.4399 23.6255 105.5 -49.7107 35.4404 -49.7105 -263.137 GPRESSURE: 2419600 368.698 16.9869 58.2034 25.9764 183.868 58.4021 36.0872 -77.8444 -231.259 PRESSAVG: 2419600 35.0747 6.09543 32.427 6.09545 -10.4871 -11.9233 32.4272 -11.9232 -19.1587 GPRESSAVG: 2419600 33.065 3.36219 35.4619 6.12864 -9.15151 -11.9371 33.3433 -11.3474 -18.3182 TIMING: 2419600 CPU: 7293.23, 0.00300006/step Wall: 7293.23, 0.00300006/step, 2.15037 hours remaining, 208.121094 MB of memory in use. ENERGY: 2419600 721.4968 2131.8110 1950.8826 111.7793 -206700.8927 18185.5105 0.0000 0.0000 34524.0324 -149075.3800 301.5070 -183599.4124 -148983.2484 300.0058 73.4483 107.1024 558798.3400 1.8096 1.8651 PRESSURE: 2419800 -133.568 18.1491 -47.4852 18.1487 -102.738 -36.5633 -47.486 -36.562 -129.279 GPRESSURE: 2419800 -94.0682 34.273 -129.498 -66.8242 -74.082 -105.04 -39.5308 36.3231 -103.154 PRESSAVG: 2419800 14.5969 -6.44178 -21.3427 -6.44174 10.9833 7.38352 -21.3427 7.38351 8.72121 GPRESSAVG: 2419800 15.8879 -4.72002 -23.4505 -7.84552 9.2057 9.01433 -20.7072 6.9955 9.02926 TIMING: 2419800 CPU: 7293.83, 0.00301964/step Wall: 7293.83, 0.00301964/step, 2.16424 hours remaining, 208.121094 MB of memory in use. ENERGY: 2419800 802.9584 2072.0585 1906.1436 104.9451 -205915.1771 17657.0254 0.0000 0.0000 34309.6922 -149062.3540 299.6351 -183372.0462 -148970.6082 300.3057 -121.8617 -90.4346 558379.1951 11.4338 11.3743 PRESSURE: 2420000 -53.7299 -76.1524 -88.9607 -76.1508 -219.303 8.98671 -88.9621 8.98688 -56.773 GPRESSURE: 2420000 -63.2704 -123.014 -100.181 -21.7077 -157.381 -91.0683 2.88346 54.0091 -6.08855 PRESSAVG: 2420000 47.0887 9.69266 -1.50703 9.6926 -3.24079 -29.0657 -1.50701 -29.0656 14.2455 GPRESSAVG: 2420000 46.5414 10.6023 -2.80598 10.8837 -2.31489 -30.6235 -1.90802 -27.7889 13.8695 TIMING: 2420000 CPU: 7294.43, 0.00300888/step Wall: 7294.43, 0.00300888/step, 2.15637 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: 2420000 740.2174 2179.9758 1893.9197 99.6356 -205792.1498 17610.5152 0.0000 0.0000 34015.3536 -149252.5324 297.0645 -183267.8859 -149152.1308 299.4316 -109.9353 -75.5799 557992.7086 19.3645 19.3653 PRESSURE: 2420200 135.679 107.149 -22.1184 107.148 143.757 -3.04334 -22.1189 -3.0457 -6.88701 GPRESSURE: 2420200 127.261 95.5567 -23.1541 42.9524 179.959 -46.5305 -11.8923 -9.48262 50.926 PRESSAVG: 2420200 34.0172 -29.5471 -4.97751 -29.5471 -18.9759 14.3944 -4.97748 14.3946 -8.77363 GPRESSAVG: 2420200 35.3692 -28.8357 -4.78193 -28.9608 -19.5963 13.9914 -3.89963 15.0901 -9.12948 TIMING: 2420200 CPU: 7295.04, 0.00301213/step Wall: 7295.04, 0.00301213/step, 2.15852 hours remaining, 208.121094 MB of memory in use. ENERGY: 2420200 772.4516 2179.7211 1931.4638 115.9989 -206442.2841 18034.4429 0.0000 0.0000 34046.3579 -149361.8479 297.3353 -183408.2058 -149267.8302 299.0528 90.8497 119.3820 557027.1167 2.0892 2.2145 LDB: ============= START OF LOAD BALANCING ============== 7298.55 LDB: ============== END OF LOAD BALANCING =============== 7298.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7298.55 LDB: ============= START OF LOAD BALANCING ============== 7298.86 LDB: Largest compute 4801 load 0.030634 is 25.9% of average load 0.118074 LDB: Average compute 0.001735 is 1.5% of average load 0.118074 LDB: TIME 7298.86 LOAD: AVG 0.118074 MAX 0.205719 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.969 MB LDB: TIME 7298.86 LOAD: AVG 0.118074 MAX 0.205719 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.176 MB LDB: TIME 7298.86 LOAD: AVG 0.118074 MAX 0.205719 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.176 MB LDB: ============== END OF LOAD BALANCING =============== 7298.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7298.86 PRESSURE: 2420400 9.81292 52.349 -33.233 52.3487 -71.3019 -29.9356 -33.2343 -29.935 -23.6543 GPRESSURE: 2420400 15.9686 92.7134 -88.9032 -33.8994 -18.8861 -33.7196 65.608 -109.023 24.9006 PRESSAVG: 2420400 -23.5319 11.2488 9.30065 11.2488 -4.00066 12.7764 9.3007 12.7764 9.14089 GPRESSAVG: 2420400 -24.8 11.7183 10.1032 10.4036 -2.10232 14.9395 6.98996 9.48274 8.60936 TIMING: 2420400 CPU: 7295.65, 0.00305941/step Wall: 7295.65, 0.00305941/step, 2.19224 hours remaining, 211.308594 MB of memory in use. ENERGY: 2420400 726.8443 2090.0764 1939.8279 115.8357 -206319.9734 17925.3088 0.0000 0.0000 34097.5188 -149424.5614 297.7821 -183522.0802 -149330.7087 297.9419 -28.3811 7.3277 559495.1373 -6.1306 -6.0977 PRESSURE: 2420600 -14.967 64.897 22.5276 64.8983 86.4701 -139.291 22.5275 -139.293 38.0265 GPRESSURE: 2420600 6.02215 138.323 -31.4993 100.121 144.454 -103.198 -5.36998 -212.127 49.4816 PRESSAVG: 2420600 25.9595 16.8583 -11.6321 16.8583 4.18111 -12.8411 -11.6322 -12.8412 -9.54541 GPRESSAVG: 2420600 27.0836 15.3766 -11.8841 17.7295 3.76299 -13.2274 -10.2082 -10.7192 -9.87571 TIMING: 2420600 CPU: 7296.25, 0.00300385/step Wall: 7296.25, 0.00300385/step, 2.15226 hours remaining, 211.378906 MB of memory in use. ENERGY: 2420600 753.1866 2118.2373 1947.8534 116.3578 -206246.0735 17931.9267 0.0000 0.0000 34115.8630 -149262.6487 297.9423 -183378.5118 -149165.1397 299.1151 36.5099 66.6526 558822.7867 6.8651 6.9903 PRESSURE: 2420800 174.056 -171.007 -52.6941 -171.006 271.868 -52.2961 -52.6948 -52.2986 92.6307 GPRESSURE: 2420800 170.368 -183.838 -25.9234 -203.884 312.672 -126.556 -67.0152 32.8459 158.095 PRESSAVG: 2420800 14.3589 -14.4863 -10.7825 -14.4862 77.2079 -1.56095 -10.7826 -1.56089 -40.9297 GPRESSAVG: 2420800 14.5888 -13.1626 -11.407 -14.4568 75.3239 -2.67896 -12.9073 -2.52286 -38.665 TIMING: 2420800 CPU: 7296.84, 0.00297168/step Wall: 7296.84, 0.00297168/step, 2.12904 hours remaining, 211.613281 MB of memory in use. ENERGY: 2420800 738.1465 2067.0588 1914.4356 108.0399 -206347.3727 17916.2554 0.0000 0.0000 34218.5419 -149384.8946 298.8390 -183603.4366 -149296.2525 299.7271 179.5182 213.7116 555784.3162 16.8790 17.0826 PRESSURE: 2421000 220.9 47.1441 -162.507 47.1446 69.2514 -72.4315 -162.507 -72.4297 296.435 GPRESSURE: 2421000 307.888 98.0334 -162.409 6.46356 90.2224 -141.21 -121.901 -118.371 277.707 PRESSAVG: 2421000 89.1235 -34.2084 -10.8202 -34.2083 -30.6866 -32.7098 -10.8202 -32.7097 -8.25023 GPRESSAVG: 2421000 89.31 -35.4109 -9.67783 -36.072 -30.8095 -32.7964 -11.6871 -31.2776 -8.60113 TIMING: 2421000 CPU: 7297.44, 0.00298266/step Wall: 7297.44, 0.00298266/step, 2.13675 hours remaining, 211.816406 MB of memory in use. ENERGY: 2421000 712.9268 2104.6825 1924.9607 116.8178 -206592.3748 18077.7333 0.0000 0.0000 34266.0130 -149389.2406 299.2536 -183655.2536 -149297.1391 299.0770 195.5289 225.2726 555213.3312 16.7289 16.6331 PRESSURE: 2421200 -17.2282 63.7581 10.1373 63.759 0.836756 -147.665 10.1391 -147.666 -296.301 GPRESSURE: 2421200 -9.37553 104.964 -59.6555 -0.821623 -7.26485 -151.878 -23.2959 -134.23 -209.443 PRESSAVG: 2421200 33.7134 -66.2427 45.5012 -66.2426 -0.584141 8.05429 45.5012 8.05414 26.2013 GPRESSAVG: 2421200 32.5221 -64.4733 43.3571 -64.6626 1.79667 7.70421 47.6907 8.67842 25.2413 TIMING: 2421200 CPU: 7298.03, 0.00296369/step Wall: 7298.03, 0.00296369/step, 2.12299 hours remaining, 211.816406 MB of memory in use. ENERGY: 2421200 708.9146 2035.9766 1930.5001 124.4277 -205860.5329 17556.9197 0.0000 0.0000 33939.7930 -149564.0011 296.4047 -183503.7942 -149472.2664 297.9436 -104.2307 -75.3610 556296.8776 19.7769 19.8534 PRESSURE: 2421400 -92.3202 -141.411 -6.82964 -141.411 -23.5485 -117.219 -6.82952 -117.218 23.0883 GPRESSURE: 2421400 -58.3843 -117.422 -0.713823 -133.116 2.5973 -141.019 -52.4352 -100.687 53.6762 PRESSAVG: 2421400 8.72161 -24.928 7.97097 -24.928 -37.8659 -3.97467 7.97097 -3.97462 15.7388 GPRESSAVG: 2421400 9.17001 -25.8442 11.2437 -25.8654 -39.6374 -2.63965 6.5714 -6.47269 16.2283 TIMING: 2421400 CPU: 7298.62, 0.00295933/step Wall: 7298.62, 0.00295933/step, 2.1197 hours remaining, 211.816406 MB of memory in use. ENERGY: 2421400 738.8962 2020.6774 1942.4398 121.7383 -206298.6200 17653.8972 0.0000 0.0000 34249.1842 -149571.7869 299.1066 -183820.9711 -149473.5692 298.4273 -30.9268 -0.7036 556018.0223 -4.4685 -4.7464 PRESSURE: 2421600 -184.569 9.61348 60.4688 9.61299 -152.021 26.3251 60.4687 26.3256 -218.105 GPRESSURE: 2421600 -190.554 49.3193 105.254 -38.7424 -115.986 19.9101 75.6197 83.8015 -147.284 PRESSAVG: 2421600 -0.340046 -19.7475 24.789 -19.7475 35.8866 64.0245 24.789 64.0246 -25.6661 GPRESSAVG: 2421600 -0.0506368 -19.3588 23.785 -19.1972 36.3861 63.6039 24.8338 66.0222 -25.3103 TIMING: 2421600 CPU: 7299.22, 0.00296987/step Wall: 7299.22, 0.00296987/step, 2.12708 hours remaining, 211.816406 MB of memory in use. ENERGY: 2421600 756.2369 2065.5482 1953.6865 104.7186 -205913.0990 17577.2010 0.0000 0.0000 34157.4616 -149298.2462 298.3056 -183455.7078 -149197.2083 298.3011 -184.8983 -151.2745 556803.9755 3.2935 3.6750 PRESSURE: 2421800 -268.59 45.5638 112.278 45.5646 84.7577 -43.5299 112.28 -43.5296 37.6302 GPRESSURE: 2421800 -225.532 50.489 72.9176 38.0234 107.891 0.862829 154.345 -58.7658 66.1867 PRESSAVG: 2421800 3.47149 17.5735 32.1068 17.5736 85.8414 25.7487 32.1068 25.7488 -41.1874 GPRESSAVG: 2421800 3.45183 19.462 31.7261 15.3833 87.1565 24.0621 32.0367 23.201 -42.5112 TIMING: 2421800 CPU: 7299.82, 0.00298899/step Wall: 7299.82, 0.00298899/step, 2.14062 hours remaining, 211.816406 MB of memory in use. ENERGY: 2421800 733.9976 2119.0695 1951.5413 112.7262 -206174.0548 17874.6498 0.0000 0.0000 34156.5832 -149225.4872 298.2979 -183382.0704 -149130.6101 298.6771 -48.7339 -17.1515 557426.5235 16.0418 16.0324 PRESSURE: 2422000 282.881 70.5244 -102.015 70.5238 3.69516 -56.5197 -102.015 -56.5187 287.938 GPRESSURE: 2422000 280.021 65.3263 -193.791 41.8894 14.9338 -139.542 -120.434 -64.4234 385.666 PRESSAVG: 2422000 -17.0223 -67.5232 47.1947 -67.5232 -22.7175 9.84511 47.1946 9.84506 43.8807 GPRESSAVG: 2422000 -16.6138 -69.4239 47.0897 -67.2758 -24.6323 11.2165 45.5551 11.799 45.0178 TIMING: 2422000 CPU: 7300.41, 0.00297526/step Wall: 7300.41, 0.00297526/step, 2.13062 hours remaining, 211.816406 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: 2422000 757.0559 2064.8097 1951.1744 117.1932 -206715.4589 18250.1011 0.0000 0.0000 34388.3119 -149186.8127 300.3217 -183575.1246 -149081.4745 299.2357 191.5048 226.8735 556501.3388 1.3803 1.2572 PRESSURE: 2422200 51.7733 -64.6763 3.2603 -64.6757 219.231 117.549 3.26123 117.548 6.80197 GPRESSURE: 2422200 22.1068 -142.653 68.2374 -74.2817 237.711 89.7778 55.5384 34.5808 107.802 PRESSAVG: 2422200 1.8647 18.1735 -36.425 18.1734 48.461 -49.1143 -36.4252 -49.1144 -38.611 GPRESSAVG: 2422200 1.94491 15.5136 -37.1413 20.2424 48.7583 -49.2597 -34.4924 -50.0384 -39.0765 TIMING: 2422200 CPU: 7301.01, 0.00299797/step Wall: 7301.01, 0.00299797/step, 2.14671 hours remaining, 211.816406 MB of memory in use. ENERGY: 2422200 694.5041 2078.2070 1934.6462 116.2582 -206571.7698 17936.8883 0.0000 0.0000 34483.3364 -149327.9295 301.1516 -183811.2658 -149227.5605 299.3548 92.6020 122.5400 557779.0492 3.9049 3.8756 PRESSURE: 2422400 241.528 -55.5837 2.88572 -55.5839 274.265 -101.967 2.88558 -101.966 105.412 GPRESSURE: 2422400 266.547 -63.9377 50.7764 -83.3699 344.513 -168.961 -86.164 -48.5268 113.268 PRESSAVG: 2422400 26.1219 15.2559 -30.9413 15.2559 59.1786 16.0838 -30.9413 16.0838 -46.2155 GPRESSAVG: 2422400 25.8426 17.373 -29.2464 15.3054 60.7367 17.2499 -32.1797 15.8716 -46.8467 TIMING: 2422400 CPU: 7301.61, 0.00298867/step Wall: 7301.61, 0.00298867/step, 2.13989 hours remaining, 211.816406 MB of memory in use. ENERGY: 2422400 709.0366 2036.9927 1937.1634 105.3189 -206366.4975 18152.2338 0.0000 0.0000 34208.2880 -149217.4641 298.7495 -183425.7521 -149120.6406 299.5332 207.0684 241.4427 557956.7338 13.0283 13.2442 PRESSURE: 2422600 166.624 78.6829 -15.4588 78.6824 -62.8344 -105.13 -15.4577 -105.13 -49.2356 GPRESSURE: 2422600 206.704 80.2547 13.7885 141.835 -49.4624 -104.235 -4.24691 -58.3618 -11.3917 PRESSAVG: 2422600 -45.2983 -22.0509 14.5009 -22.0509 73.6965 3.21645 14.5008 3.21643 -37.4475 GPRESSAVG: 2422600 -45.3481 -21.396 14.2853 -22.9019 73.7895 4.00663 13.6481 3.08628 -37.6779 TIMING: 2422600 CPU: 7302.2, 0.00298013/step Wall: 7302.2, 0.00298013/step, 2.1336 hours remaining, 211.816406 MB of memory in use. ENERGY: 2422600 768.0083 2132.2701 1941.7944 103.7484 -206522.5997 17937.8323 0.0000 0.0000 34229.6433 -149409.3030 298.9360 -183638.9463 -149309.7676 298.9946 18.1848 48.6166 556831.9076 -3.0164 -3.0788 PRESSURE: 2422800 107.346 28.1796 26.6889 28.1791 -182.533 34.179 26.6891 34.1796 -130.686 GPRESSURE: 2422800 112.903 24.4471 24.253 -26.1446 -96.8868 -13.8321 40.3318 29.8059 -119.105 PRESSAVG: 2422800 10.3678 -11.3889 33.0851 -11.3888 34.0296 -9.00073 33.0851 -9.00068 -48.4553 GPRESSAVG: 2422800 10.3566 -11.4835 32.2235 -11.2681 33.1916 -11.6257 34.8673 -6.64803 -48.1747 TIMING: 2422800 CPU: 7302.8, 0.00297129/step Wall: 7302.8, 0.00297129/step, 2.12711 hours remaining, 211.816406 MB of memory in use. ENERGY: 2422800 721.1790 2115.9896 1955.1045 111.1162 -206173.6968 17761.2726 0.0000 0.0000 34339.6412 -149169.3937 299.8966 -183509.0349 -149071.5644 299.8094 -68.6243 -34.3633 557699.0882 -1.3526 -1.5421 PRESSURE: 2423000 -6.76545 -38.271 -26.6031 -38.2714 -16.4993 80.2655 -26.6036 80.2645 92.1849 GPRESSURE: 2423000 7.5511 -79.1972 -4.06767 60.9968 49.1369 195.989 -52.5098 34.1593 109.828 PRESSAVG: 2423000 -12.0752 -50.0859 14.8666 -50.0859 -21.3386 17.4829 14.8666 17.4829 42.4403 GPRESSAVG: 2423000 -13.769 -51.611 14.6921 -46.898 -20.1417 16.4993 14.206 17.6255 43.1958 TIMING: 2423000 CPU: 7303.39, 0.00297823/step Wall: 7303.39, 0.00297823/step, 2.13191 hours remaining, 211.816406 MB of memory in use. ENERGY: 2423000 692.3370 2076.7985 1925.3552 120.3625 -206084.0288 17671.2886 0.0000 0.0000 34541.9414 -149055.9456 301.6634 -183597.8870 -148954.9489 300.4877 22.9734 55.5054 556826.4564 3.0088 3.0951 PRESSURE: 2423200 -95.4031 65.5613 66.4334 65.563 227.234 10.2209 66.4335 10.2225 -6.09051 GPRESSURE: 2423200 -84.6322 80.3842 31.7601 73.671 259.59 -14.6207 83.6045 22.059 60.2451 PRESSAVG: 2423200 -43.9025 1.33206 -59.4318 1.33214 62.0285 21.1904 -59.4318 21.1904 -51.8074 GPRESSAVG: 2423200 -44.1262 2.06367 -59.3938 -0.510779 60.5204 21.4089 -60.0562 19.7768 -50.4498 TIMING: 2423200 CPU: 7303.99, 0.0029937/step Wall: 7303.99, 0.0029937/step, 2.14282 hours remaining, 211.816406 MB of memory in use. ENERGY: 2423200 745.5119 2090.8058 1915.4826 104.2177 -206216.9279 17732.8262 0.0000 0.0000 34531.9502 -149096.1335 301.5761 -183628.0838 -149001.8945 300.1699 41.9133 78.4009 555690.8335 -11.2272 -11.3519 PRESSURE: 2423400 -29.7269 32.7588 89.8225 32.7573 -290.464 41.8077 89.8232 41.8086 -214.229 GPRESSURE: 2423400 -4.99024 32.8107 182.166 80.823 -252.135 -62.3308 37.3414 124.059 -177.782 PRESSAVG: 2423400 65.7197 33.784 40.5297 33.784 19.3813 -17.0795 40.5297 -17.0795 -82.4191 GPRESSAVG: 2423400 66.3843 34.1896 40.8631 35.1578 19.3437 -17.3875 40.6113 -17.3269 -82.7369 TIMING: 2423400 CPU: 7304.6, 0.00302614/step Wall: 7304.6, 0.00302614/step, 2.16588 hours remaining, 211.816406 MB of memory in use. ENERGY: 2423400 750.2525 2102.7051 1929.4063 103.1966 -205549.6077 17484.0327 0.0000 0.0000 34350.2923 -148829.7221 299.9896 -183180.0144 -148734.2804 300.3219 -178.1401 -144.9693 557654.8724 0.8939 0.9970 PRESSURE: 2423600 74.8322 12.0198 -58.1098 12.0212 84.9276 86.6491 -58.1096 86.6479 -26.184 GPRESSURE: 2423600 111.786 25.492 -85.0644 44.2789 114.845 173.044 19.2633 74.5309 14.9049 PRESSAVG: 2423600 -19.8457 56.2832 50.1708 56.2832 -16.4825 15.2915 50.1708 15.2915 48.4165 GPRESSAVG: 2423600 -19.6829 57.8907 49.6519 54.9625 -16.4199 18.4736 49.1931 16.1978 48.4797 TIMING: 2423600 CPU: 7305.19, 0.00297992/step Wall: 7305.19, 0.00297992/step, 2.13263 hours remaining, 211.816406 MB of memory in use. ENERGY: 2423600 737.4967 2175.3485 1926.9976 104.0928 -206028.4060 17838.1918 0.0000 0.0000 34536.7453 -148709.5333 301.6180 -183246.2785 -148610.7110 300.7804 44.5253 80.5121 556125.6692 4.0294 4.1256 PRESSURE: 2423800 176.9 144.189 -5.79418 144.19 238.841 -95.2745 -5.79394 -95.2738 59.6456 GPRESSURE: 2423800 203.944 140.766 26.2391 168.073 294.886 -33.0493 -22.8539 -119.916 68.3814 PRESSAVG: 2423800 10.6277 86.0786 50.3544 86.0786 15.3559 21.2364 50.3543 21.2364 -22.1083 GPRESSAVG: 2423800 10.5333 85.4218 50.8729 85.4427 15.92 20.1611 52.0951 19.338 -22.6783 TIMING: 2423800 CPU: 7305.8, 0.00303711/step Wall: 7305.8, 0.00303711/step, 2.17339 hours remaining, 211.816406 MB of memory in use. ENERGY: 2423800 767.2806 2096.5632 1970.9681 116.2905 -206250.9474 18017.6317 0.0000 0.0000 34656.5349 -148625.6785 302.6641 -183282.2134 -148536.6619 300.9717 158.4622 189.0703 557086.0195 1.2917 1.2583 PRESSURE: 2424000 159.789 -6.7989 103.132 -6.80012 32.5813 -22.589 103.132 -22.5878 -53.7924 GPRESSURE: 2424000 172.785 -76.8538 181.258 5.36945 69.8014 29.4826 21.7442 3.40633 -6.63657 PRESSAVG: 2424000 1.8855 24.0023 5.29076 24.0022 -15.4111 17.3053 5.29078 17.3053 -5.85673 GPRESSAVG: 2424000 2.36405 20.8972 3.44768 25.038 -16.3587 15.3755 4.64648 19.2734 -4.92655 TIMING: 2424000 CPU: 7306.4, 0.00298821/step Wall: 7306.4, 0.00298821/step, 2.13823 hours remaining, 211.816406 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: 2424000 763.2161 2110.1203 1962.8110 114.3349 -205883.3506 17988.8996 0.0000 0.0000 34567.5068 -148376.4619 301.8866 -182943.9688 -148276.9281 301.3619 46.1926 78.6501 558446.7848 -6.4608 -6.3071 PRESSURE: 2424200 -163.331 -53.2573 -104.011 -53.2583 -382.605 -35.3591 -104.012 -35.36 -261.752 GPRESSURE: 2424200 -136.32 -39.1861 -36.2078 -1.78354 -313.854 -89.0576 -140.217 -73.9524 -261.975 PRESSAVG: 2424200 26.8825 -0.754777 -33.3993 -0.754801 -37.6239 16.6556 -33.3994 16.6556 -16.3073 GPRESSAVG: 2424200 26.4366 0.963641 -31.8431 -1.62592 -37.3641 15.9306 -32.7353 16.49 -16.2752 TIMING: 2424200 CPU: 7307, 0.00299566/step Wall: 7307, 0.00299566/step, 2.14339 hours remaining, 211.816406 MB of memory in use. ENERGY: 2424200 765.0677 2116.3754 1955.0004 114.7022 -205069.8814 17212.6311 0.0000 0.0000 34351.9891 -148554.1155 300.0045 -182906.1046 -148449.9501 302.2245 -269.2294 -237.3830 560037.1228 -9.0162 -9.0676 LDB: ============= START OF LOAD BALANCING ============== 7310.51 LDB: ============== END OF LOAD BALANCING =============== 7310.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7310.52 LDB: ============= START OF LOAD BALANCING ============== 7310.81 LDB: Largest compute 4772 load 0.029624 is 25.1% of average load 0.117977 LDB: Average compute 0.001728 is 1.5% of average load 0.117977 LDB: TIME 7310.82 LOAD: AVG 0.117977 MAX 0.204232 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.25 MB LDB: TIME 7310.82 LOAD: AVG 0.117977 MAX 0.204232 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.453 MB LDB: TIME 7310.82 LOAD: AVG 0.117977 MAX 0.204232 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.453 MB LDB: ============== END OF LOAD BALANCING =============== 7310.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7310.82 PRESSURE: 2424400 272.681 131.585 -24.471 131.584 -177.885 27.6337 -24.4723 27.6336 16.5016 GPRESSURE: 2424400 210.188 127.017 38.3819 117.047 -126.168 4.05903 -168.35 -35.6755 134.577 PRESSAVG: 2424400 18.4857 26.1935 -47.452 26.1935 -94.5611 -11.3258 -47.4521 -11.3258 93.9211 GPRESSAVG: 2424400 18.0148 27.2674 -46.907 27.6795 -93.335 -7.85013 -47.0039 -11.1265 93.4008 TIMING: 2424400 CPU: 7307.61, 0.00303507/step Wall: 7307.61, 0.00303507/step, 2.17143 hours remaining, 208.542969 MB of memory in use. ENERGY: 2424400 711.0882 2146.0551 1985.3111 111.3413 -205585.0843 17727.0305 0.0000 0.0000 34366.9242 -148537.3337 300.1349 -182904.2579 -148447.2105 300.4580 37.0992 72.8653 559025.3352 5.9485 6.0269 PRESSURE: 2424600 27.9224 95.329 -67.1936 95.3298 137.318 -47.167 -67.1939 -47.1671 -30.6475 GPRESSURE: 2424600 33.8082 33.4792 -55.1967 117.974 154.936 -34.7437 -85.2678 -35.6346 45.0602 PRESSAVG: 2424600 50.0466 39.0138 11.3947 39.0138 -18.101 -24.5723 11.3947 -24.5723 -10.8829 GPRESSAVG: 2424600 50.811 36.2034 12.411 38.7351 -19.0033 -27.9219 10.3883 -25.4424 -10.6981 TIMING: 2424600 CPU: 7308.2, 0.00297212/step Wall: 7308.2, 0.00297213/step, 2.12623 hours remaining, 208.746094 MB of memory in use. ENERGY: 2424600 730.0682 2140.5625 1941.8688 108.0765 -205931.0969 17995.8684 0.0000 0.0000 34532.9319 -148481.7206 301.5847 -183014.6525 -148382.7243 301.2942 44.8644 77.9347 560114.0259 7.0209 7.0365 PRESSURE: 2424800 -123.453 184.854 -77.4202 184.852 15.7579 -61.9415 -77.4211 -61.9423 -303.987 GPRESSURE: 2424800 -63.9215 162.963 -59.485 221.663 -17.521 -52.9875 -90.402 -67.0691 -217.021 PRESSAVG: 2424800 34.7132 12.9169 -4.18538 12.9168 1.56788 0.191359 -4.18532 0.191352 -43.2491 GPRESSAVG: 2424800 34.893 14.9922 -5.93078 12.3931 0.32533 -0.199049 -3.40065 1.30957 -42.0026 TIMING: 2424800 CPU: 7308.8, 0.00298019/step Wall: 7308.8, 0.00298019/step, 2.13183 hours remaining, 208.746094 MB of memory in use. ENERGY: 2424800 767.9426 2089.2548 1953.8206 112.7671 -205537.3451 17573.0918 0.0000 0.0000 34563.1244 -148477.3438 301.8484 -183040.4681 -148376.0031 301.6947 -137.2273 -99.4880 559099.9408 -2.3227 -2.2614 PRESSURE: 2425000 128.074 -63.8886 49.9646 -63.8872 -358.065 -44.2347 49.9651 -44.234 -144.235 GPRESSURE: 2425000 93.155 -12.2868 39.5872 -3.96036 -240.427 -25.5001 79.7534 -76.9731 -107.422 PRESSAVG: 2425000 24.7458 -47.032 -52.4251 -47.0319 9.4891 -39.2508 -52.4251 -39.2509 -49.8637 GPRESSAVG: 2425000 24.9511 -47.5677 -51.8935 -45.746 11.7232 -38.4489 -53.3764 -40.5808 -51.8315 TIMING: 2425000 CPU: 7309.39, 0.00295827/step Wall: 7309.39, 0.00295827/step, 2.11598 hours remaining, 208.746094 MB of memory in use. ENERGY: 2425000 790.3270 2062.9300 1969.7603 118.1333 -205897.0393 17832.6694 0.0000 0.0000 34518.5193 -148604.7000 301.4588 -183123.2193 -148502.9136 301.0472 -124.7420 -84.8980 561008.2896 -5.2096 -5.0524 PRESSURE: 2425200 -213.035 122.513 5.78002 122.513 -28.3783 84.8069 5.78126 84.8077 -324.431 GPRESSURE: 2425200 -200.148 75.8024 -102.834 131.746 -42.1517 43.4735 70.943 110.596 -224.76 PRESSAVG: 2425200 77.7195 -38.594 -9.23286 -38.594 -75.1894 -27.9743 -9.2328 -27.9744 16.2323 GPRESSAVG: 2425200 78.7312 -40.9453 -9.10798 -40.6171 -77.6236 -28.529 -9.17168 -27.5483 17.9603 TIMING: 2425200 CPU: 7309.98, 0.00296942/step Wall: 7309.98, 0.00296942/step, 2.12379 hours remaining, 208.746094 MB of memory in use. ENERGY: 2425200 776.6670 2074.4852 1959.7521 114.5835 -205826.6944 17530.9000 0.0000 0.0000 34534.1058 -148836.2008 301.5949 -183370.3065 -148738.6080 300.3442 -188.6148 -155.6867 559641.9067 6.2542 6.3560 PRESSURE: 2425400 153.544 107.508 18.2075 107.507 372.03 -101.352 18.2072 -101.353 -90.1559 GPRESSURE: 2425400 148.328 215.229 -35.3156 -21.2425 439.707 -200.764 33.0451 -35.3944 -44.8394 PRESSAVG: 2425400 -3.31773 5.54228 55.4534 5.54224 11.8854 -23.3738 55.4534 -23.3738 13.2923 GPRESSAVG: 2425400 -3.93998 5.70019 56.0424 6.65862 13.7081 -21.2977 53.9303 -22.9429 12.613 TIMING: 2425400 CPU: 7310.58, 0.00299632/step Wall: 7310.58, 0.00299632/step, 2.14287 hours remaining, 208.746094 MB of memory in use. ENERGY: 2425400 722.5055 2081.3083 1978.3172 116.8075 -206318.4288 17922.5694 0.0000 0.0000 34452.7494 -149044.1714 300.8844 -183496.9209 -148941.3966 299.5961 145.1394 181.0650 558524.4087 7.2867 7.4604 PRESSURE: 2425600 77.94 -47.4044 41.3199 -47.4045 221.925 8.09294 41.3191 8.09279 -46.9275 GPRESSURE: 2425600 36.6737 -99.2217 25.6904 -42.3565 288.122 14.8374 -8.77891 -72.6927 23.6196 PRESSAVG: 2425600 -10.0971 22.0868 52.7104 22.0867 22.5927 17.2843 52.7104 17.2842 1.22931 GPRESSAVG: 2425600 -9.87694 24.2381 54.1252 20.3572 21.6948 15.5095 52.1246 15.4334 2.08418 TIMING: 2425600 CPU: 7311.18, 0.00300784/step Wall: 7311.18, 0.00300784/step, 2.15094 hours remaining, 208.746094 MB of memory in use. ENERGY: 2425600 735.9760 2109.7130 1961.6124 101.3690 -206652.3196 18038.4546 0.0000 0.0000 34377.1785 -149328.0160 300.2245 -183705.1945 -149230.6683 299.4993 84.3126 116.1384 557381.5638 4.5750 4.6340 PRESSURE: 2425800 -72.7626 -19.2962 -125.279 -19.2964 30.8013 31.9686 -125.279 31.9676 35.588 GPRESSURE: 2425800 5.80613 21.6671 -113.883 49.2369 40.3406 -77.8468 -95.2955 30.1499 48.6519 PRESSAVG: 2425800 6.50561 -38.7017 -14.27 -38.7016 -1.45002 2.31293 -14.27 2.31288 -21.1448 GPRESSAVG: 2425800 5.77594 -39.4439 -15.4332 -36.8341 -0.599448 -0.143792 -11.8179 5.0263 -21.0914 TIMING: 2425800 CPU: 7311.78, 0.00298575/step Wall: 7311.78, 0.00298575/step, 2.13498 hours remaining, 208.746094 MB of memory in use. ENERGY: 2425800 766.3015 2065.8199 1945.7812 108.4706 -206012.0274 17765.2660 0.0000 0.0000 34217.9566 -149142.4315 298.8339 -183360.3882 -149042.2313 299.5086 -2.1244 31.5996 557026.5324 -5.3631 -5.3050 PRESSURE: 2426000 -15.2509 50.255 -18.3328 50.2552 -150.76 1.8962 -18.3342 1.89466 30.1096 GPRESSURE: 2426000 -25.3913 43.128 -40.685 97.7025 -58.2274 -21.5438 26.4709 4.75136 55.6062 PRESSAVG: 2426000 80.9585 50.1735 -20.7229 50.1736 6.59005 15.4844 -20.7229 15.4843 -88.1633 GPRESSAVG: 2426000 81.8944 50.8595 -20.9293 49.9975 6.70689 20.3492 -21.094 13.0075 -89.0243 TIMING: 2426000 CPU: 7312.38, 0.00299313/step Wall: 7312.38, 0.00299313/step, 2.14009 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: 2426000 768.9182 2086.6631 1917.4746 110.2308 -206079.2847 17824.7791 0.0000 0.0000 34013.3468 -149357.8721 297.0470 -183371.2188 -149267.5003 298.9747 -45.3005 -9.3375 557727.9058 -0.2049 -0.1410 PRESSURE: 2426200 -8.38461 152.572 -21.9836 152.571 -10.2923 189.418 -21.9835 189.419 -114.034 GPRESSURE: 2426200 6.15188 64.5829 -33.6363 159.301 -14.8536 198.811 28.9116 248.499 -29.1971 PRESSAVG: 2426200 -6.91616 59.7753 -8.11863 59.7752 1.22185 -4.81904 -8.11863 -4.81909 -8.7133 GPRESSAVG: 2426200 -6.4686 59.6197 -10.1896 60.978 0.586287 -8.21334 -3.96357 -3.37311 -8.92574 TIMING: 2426200 CPU: 7312.97, 0.00297191/step Wall: 7312.97, 0.00297191/step, 2.12475 hours remaining, 208.746094 MB of memory in use. ENERGY: 2426200 734.2148 2067.4453 1954.3994 110.5927 -206062.6667 17792.1728 0.0000 0.0000 34154.4903 -149249.3514 298.2797 -183403.8417 -149151.2818 298.9285 -44.2369 -12.6330 558157.4536 -4.8025 -4.9360 PRESSURE: 2426400 -245.692 -182.041 40.0264 -182.04 -116.89 -97.7691 40.0259 -97.7694 -188.786 GPRESSURE: 2426400 -181.723 -138.984 59.0545 -182.887 -124.82 -115.154 55.3422 -34.9231 -143.298 PRESSAVG: 2426400 -3.09621 -0.446641 -2.29775 -0.446662 30.9867 -1.30683 -2.29778 -1.3068 -26.1333 GPRESSAVG: 2426400 -1.49918 -1.57611 -0.0370029 -1.77667 29.9708 1.75161 -4.55276 -4.01658 -26.9118 TIMING: 2426400 CPU: 7313.56, 0.00296208/step Wall: 7313.56, 0.00296208/step, 2.11755 hours remaining, 208.746094 MB of memory in use. ENERGY: 2426400 773.6824 2093.1170 1970.8789 109.6815 -205837.5652 17755.5584 0.0000 0.0000 34032.6192 -149102.0277 297.2153 -183134.6469 -149004.2985 299.4135 -183.7896 -149.9469 560492.0032 0.5857 0.5199 PRESSURE: 2426600 -99.1589 -71.1901 153.147 -71.1891 -2.57561 -91.1727 153.148 -91.1729 -125.051 GPRESSURE: 2426600 -82.226 -68.09 87.9142 -54.3183 98.7717 -119.039 171.21 -34.4877 -136.805 PRESSAVG: 2426600 46.3859 -67.2982 -23.8847 -67.2982 7.8168 58.4055 -23.8846 58.4054 -76.0032 GPRESSAVG: 2426600 44.4361 -64.2743 -26.6931 -68.4328 8.72334 56.0126 -22.35 60.8101 -74.7294 TIMING: 2426600 CPU: 7314.16, 0.00296502/step Wall: 7314.16, 0.00296502/step, 2.11949 hours remaining, 208.746094 MB of memory in use. ENERGY: 2426600 718.1326 2158.2866 1931.6704 112.7625 -206109.2055 17740.9467 0.0000 0.0000 34247.6859 -149199.7207 299.0936 -183447.4066 -149100.6470 299.6124 -75.5950 -40.0863 558613.6967 -7.2668 -7.1900 PRESSURE: 2426800 -230.909 -71.2035 103.192 -71.2039 88.3918 -149.926 103.193 -149.928 -73.055 GPRESSURE: 2426800 -172.395 -123.458 83.0813 16.8274 70.3652 -141.055 215.742 -151.521 -23.0595 PRESSAVG: 2426800 -25.6739 23.3371 -24.7039 23.3371 15.99 -13.6877 -24.7039 -13.6877 20.9471 GPRESSAVG: 2426800 -24.8421 20.9054 -24.2243 24.6659 16.1168 -10.0357 -25.2524 -16.7088 20.0764 TIMING: 2426800 CPU: 7314.76, 0.00301691/step Wall: 7314.76, 0.00301691/step, 2.15642 hours remaining, 208.746094 MB of memory in use. ENERGY: 2426800 719.6115 2128.5076 1951.7801 120.8302 -206207.8502 17777.0541 0.0000 0.0000 34370.8669 -149139.1997 300.1693 -183510.0666 -149026.4945 299.4775 -71.8574 -41.6963 558007.2533 3.7544 3.7837 PRESSURE: 2427000 14.8362 -97.2538 -7.56732 -97.2539 -30.7939 176.091 -7.5689 176.091 -58.5551 GPRESSURE: 2427000 3.03657 -107.5 -64.8461 -102.042 -45.1133 138.167 -25.3481 166.683 66.3632 PRESSAVG: 2427000 15.9318 -36.8825 -34.6951 -36.8824 -9.87126 13.4848 -34.6951 13.4848 -12.4483 GPRESSAVG: 2427000 15.2864 -36.3338 -31.3648 -36.1425 -9.50724 11.61 -36.2909 14.4361 -11.9739 TIMING: 2427000 CPU: 7315.36, 0.00297838/step Wall: 7315.36, 0.00297838/step, 2.12872 hours remaining, 208.746094 MB of memory in use. ENERGY: 2427000 766.0031 2058.7613 1955.8678 121.1591 -206238.0124 17973.0642 0.0000 0.0000 34369.1682 -148993.9888 300.1545 -183363.1569 -148902.5875 299.7975 -24.8376 8.0955 559677.4692 -2.1292 -2.0649 PRESSURE: 2427200 83.6238 -6.53617 -43.8785 -6.53419 -299.659 16.1675 -43.8791 16.1672 93.058 GPRESSURE: 2427200 185.128 19.9706 -70.5465 -73.9476 -291.435 -5.7742 -61.5413 69.1244 77.8061 PRESSAVG: 2427200 13.5895 9.6144 -24.3486 9.61439 -35.955 15.8419 -24.3485 15.842 37.0002 GPRESSAVG: 2427200 13.9468 7.36877 -26.3188 10.2941 -36.493 14.7511 -23.2568 16.7949 36.4608 TIMING: 2427200 CPU: 7315.95, 0.00297892/step Wall: 7315.95, 0.00297892/step, 2.12894 hours remaining, 208.746094 MB of memory in use. ENERGY: 2427200 763.6703 2091.0174 1961.7307 95.2616 -206254.8098 17916.8741 0.0000 0.0000 34378.0254 -149048.2303 300.2318 -183426.2557 -148957.1012 299.5502 -40.9924 -9.5005 558255.0561 4.8782 4.6382 PRESSURE: 2427400 249.849 -102.449 -32.9211 -102.449 160.149 152.174 -32.9208 152.173 -46.3482 GPRESSURE: 2427400 215.641 -53.1105 -77.0624 -43.7005 208.548 132.342 -32.1459 181.194 45.4894 PRESSAVG: 2427400 40.8905 -49.5047 -3.09626 -49.5046 -48.9408 41.6035 -3.09634 41.6035 -7.17859 GPRESSAVG: 2427400 41.008 -46.9136 -4.40534 -49.9234 -49.6195 43.1536 -3.35963 41.1659 -7.04752 TIMING: 2427400 CPU: 7316.55, 0.00296936/step Wall: 7316.55, 0.00296936/step, 2.12194 hours remaining, 208.746094 MB of memory in use. ENERGY: 2427400 713.6675 2025.7411 1919.8792 121.5155 -206377.1489 18030.3403 0.0000 0.0000 34326.0100 -149239.9953 299.7776 -183566.0053 -149140.7031 299.7436 121.2168 156.5596 558220.3504 -5.0763 -5.2197 PRESSURE: 2427600 -113.533 -171.373 26.6045 -171.374 82.8286 -35.1634 26.6048 -35.1637 -206.312 GPRESSURE: 2427600 -62.2843 -162.776 -80.7928 -183.92 102.166 -55.3585 111.361 -69.6482 -179.88 PRESSAVG: 2427600 -14.2746 -18.8038 -23.1199 -18.8039 -48.5794 -12.4787 -23.1199 -12.4786 21.28 GPRESSAVG: 2427600 -13.4564 -19.2906 -20.7525 -19.95 -49.8355 -14.7375 -22.4658 -13.2378 21.8168 TIMING: 2427600 CPU: 7317.14, 0.00295887/step Wall: 7317.14, 0.00295887/step, 2.11428 hours remaining, 208.746094 MB of memory in use. ENERGY: 2427600 739.0580 2026.1471 1922.3023 105.3799 -206182.9384 17736.1757 0.0000 0.0000 34607.4909 -149046.3844 302.2358 -183653.8752 -148952.6858 299.3270 -79.0054 -46.6661 556666.7536 -13.8580 -13.8250 PRESSURE: 2427800 -92.0734 -185.381 -105.024 -185.381 -30.7995 37.8591 -105.024 37.8589 -315.374 GPRESSURE: 2427800 -59.9887 -182.844 -105.43 -44.1572 11.7525 13.6452 -5.18828 110.8 -290.885 PRESSAVG: 2427800 -32.4419 -10.2274 54.4368 -10.2275 -2.69805 12.7532 54.4369 12.7532 13.7577 GPRESSAVG: 2427800 -34.2764 -9.47925 54.5358 -10.8788 -0.301939 14.6842 54.5112 12.3675 12.7569 TIMING: 2427800 CPU: 7317.74, 0.00298505/step Wall: 7317.74, 0.00298505/step, 2.13282 hours remaining, 208.746094 MB of memory in use. ENERGY: 2427800 763.9449 2068.0975 1933.4602 112.6432 -206166.7919 17681.6639 0.0000 0.0000 34589.3692 -149017.6131 302.0776 -183606.9822 -148921.9093 300.2369 -146.0822 -113.0405 557220.2807 -7.1274 -7.2738 PRESSURE: 2428000 -407.118 -179.5 -180.34 -179.501 -279.882 -13.0335 -180.34 -13.0333 -132.543 GPRESSURE: 2428000 -385.951 -186.763 -171.775 -179.991 -234.567 -28.8983 -168.725 42.5133 -112.608 PRESSAVG: 2428000 10.8589 -22.8343 -21.0135 -22.8343 -29.4117 -48.9405 -21.0135 -48.9405 42.3935 GPRESSAVG: 2428000 12.2874 -23.765 -23.4974 -22.1076 -32.4527 -52.027 -19.7261 -47.8177 43.5007 TIMING: 2428000 CPU: 7318.33, 0.00298312/step Wall: 7318.33, 0.00298312/step, 2.13127 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: 2428000 735.5992 2088.8607 1953.7527 116.7077 -205638.0129 17376.8705 0.0000 0.0000 34231.3474 -149134.8747 298.9509 -183366.2222 -149037.8391 300.3042 -273.1811 -244.3753 558299.1601 7.9469 7.7785 PRESSURE: 2428200 218.29 61.8166 79.9648 61.8149 185.52 -220.314 79.9638 -220.314 136.116 GPRESSURE: 2428200 320.085 -32.6853 94.2126 71.3732 185.089 -230.727 104.919 -123.766 120.968 PRESSAVG: 2428200 -9.91883 -33.0675 1.42135 -33.0676 -17.2825 8.13997 1.42142 8.14002 62.7758 GPRESSAVG: 2428200 -11.2977 -32.1304 3.91453 -31.5421 -15.7183 10.7819 0.898112 5.65708 62.6461 TIMING: 2428200 CPU: 7318.93, 0.00299241/step Wall: 7318.93, 0.00299241/step, 2.13774 hours remaining, 208.746094 MB of memory in use. ENERGY: 2428200 753.2544 2027.5630 1928.3572 104.1747 -206154.8005 18109.7378 0.0000 0.0000 34160.6739 -149071.0394 298.3337 -183231.7133 -148975.3111 299.4387 179.9752 208.7141 558084.2841 11.8581 11.8767 LDB: ============= START OF LOAD BALANCING ============== 7322.44 LDB: ============== END OF LOAD BALANCING =============== 7322.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7322.45 LDB: ============= START OF LOAD BALANCING ============== 7322.75 LDB: Largest compute 4800 load 0.029406 is 24.9% of average load 0.117971 LDB: Average compute 0.001726 is 1.5% of average load 0.117971 LDB: TIME 7322.75 LOAD: AVG 0.117971 MAX 0.206514 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.566 MB LDB: TIME 7322.75 LOAD: AVG 0.117971 MAX 0.206514 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.77 MB LDB: TIME 7322.75 LOAD: AVG 0.117971 MAX 0.206514 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.77 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7322.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7322.75 PRESSURE: 2428400 -149.374 -18.2256 -209.528 -18.2256 118.088 5.1069 -209.529 5.10742 75.5237 GPRESSURE: 2428400 -115.193 14.8502 -228.113 -4.89045 157.59 47.4849 -147.131 -75.5713 90.6459 PRESSAVG: 2428400 -14.537 -5.19846 12.8579 -5.19849 -40.468 -14.4413 12.8579 -14.4411 17.4058 GPRESSAVG: 2428400 -12.3798 -6.16713 11.6381 -6.19875 -41.5636 -15.4583 11.422 -13.6716 16.0798 TIMING: 2428400 CPU: 7319.54, 0.00303552/step Wall: 7319.54, 0.00303552/step, 2.16838 hours remaining, 207.917969 MB of memory in use. ENERGY: 2428400 723.5276 2105.3766 1946.1424 105.5692 -206408.5987 18032.1475 0.0000 0.0000 34405.0391 -149090.7963 300.4678 -183495.8355 -148993.0206 299.0602 14.7458 44.3474 559815.0093 -12.5331 -12.6212 PRESSURE: 2428600 46.7922 -202.589 -114.65 -202.587 61.6161 -34.3388 -114.651 -34.3388 145.968 GPRESSURE: 2428600 82.2553 -182.212 -264.696 -193.463 55.7591 -33.376 -140.94 -79.6585 219.267 PRESSAVG: 2428600 -76.3012 -87.5556 -23.0601 -87.5555 30.6649 -16.2615 -23.0601 -16.2615 40.1433 GPRESSAVG: 2428600 -77.7572 -87.1147 -23.6794 -88.2641 29.8706 -16.973 -21.6766 -15.4796 41.675 TIMING: 2428600 CPU: 7320.14, 0.00299121/step Wall: 7320.14, 0.00299121/step, 2.13656 hours remaining, 207.917969 MB of memory in use. ENERGY: 2428600 742.1750 2082.5454 1937.8659 125.1980 -206382.5418 18147.0967 0.0000 0.0000 34227.9203 -149119.7404 298.9209 -183347.6607 -149030.5520 299.0445 84.7920 119.0938 557827.7098 -1.8310 -2.0705 PRESSURE: 2428800 -222.012 22.6855 -109.578 22.6862 224.62 65.107 -109.579 65.1055 -30.4394 GPRESSURE: 2428800 -188.637 26.0875 -100.48 6.1957 220.525 69.8875 -79.0225 45.4535 34.6579 PRESSAVG: 2428800 -44.7814 -13.699 1.59009 -13.699 -14.6547 -6.38784 1.5901 -6.38787 65.9913 GPRESSAVG: 2428800 -44.3609 -15.1446 1.39881 -12.5082 -14.7302 -5.57191 1.63275 -6.81619 65.7658 TIMING: 2428800 CPU: 7320.73, 0.00298404/step Wall: 7320.73, 0.00298404/step, 2.13127 hours remaining, 207.917969 MB of memory in use. ENERGY: 2428800 737.0184 2150.9714 1909.5541 109.8000 -205958.5373 17918.2320 0.0000 0.0000 33949.7754 -149183.1859 296.4918 -183132.9613 -149094.3644 299.3203 -9.2774 22.1821 558844.2073 2.1851 2.2249 PRESSURE: 2429000 -261.018 31.2041 68.5637 31.2034 45.2292 9.8088 68.5628 9.80853 -370.645 GPRESSURE: 2429000 -220.556 -36.0106 5.15448 6.48496 63.2301 -27.879 55.2811 83.4125 -327.602 PRESSAVG: 2429000 -68.0295 -40.8359 -65.1133 -40.836 41.9945 -8.73331 -65.1134 -8.73349 -12.1079 GPRESSAVG: 2429000 -68.7967 -39.032 -66.0139 -41.975 43.8257 -7.94378 -63.1849 -8.69075 -13.0428 TIMING: 2429000 CPU: 7321.33, 0.00298368/step Wall: 7321.33, 0.00298368/step, 2.13085 hours remaining, 208.121094 MB of memory in use. ENERGY: 2429000 765.9834 2081.4925 1941.7515 106.5080 -205825.6066 17578.3525 0.0000 0.0000 34279.0053 -149072.5132 299.3671 -183351.5186 -148977.0195 298.7816 -195.4781 -161.6427 560146.4449 -12.7143 -12.6713 PRESSURE: 2429200 -262.067 15.9288 119.6 15.93 -65.1472 -22.8114 119.6 -22.811 -87.2054 GPRESSURE: 2429200 -199.421 -30.9228 114.797 32.0201 -68.7643 -85.5861 25.4144 40.9963 -53.6859 PRESSAVG: 2429200 -46.8919 -19.1741 -42.0323 -19.174 -30.3941 13.9751 -42.0323 13.9751 -12.3906 GPRESSAVG: 2429200 -46.759 -19.8509 -39.3486 -18.8869 -29.7178 14.9649 -43.8937 13.4226 -12.6404 TIMING: 2429200 CPU: 7321.93, 0.00299391/step Wall: 7321.93, 0.00299391/step, 2.13798 hours remaining, 208.121094 MB of memory in use. ENERGY: 2429200 754.7281 2074.7040 1942.8253 89.3921 -205894.5695 17614.8431 0.0000 0.0000 34519.5268 -148898.5501 301.4676 -183418.0768 -148802.3638 299.5758 -138.1397 -107.2905 559876.0109 -29.8922 -29.7057 PRESSURE: 2429400 52.2129 -204.14 1.2964 -204.139 -140.96 -21.5578 1.29713 -21.5575 -256.937 GPRESSURE: 2429400 93.4386 -125.997 -24.1613 -315.973 -147.175 -35.7809 25.9762 -106.399 -196.133 PRESSAVG: 2429400 3.98395 -42.4297 -5.75617 -42.4297 -8.86019 21.6685 -5.75621 21.6685 25.8818 GPRESSAVG: 2429400 4.08002 -42.6707 -6.42674 -44.1658 -10.2346 21.9093 -6.70022 21.1171 27.8801 TIMING: 2429400 CPU: 7322.53, 0.00299666/step Wall: 7322.53, 0.00299666/step, 2.13978 hours remaining, 208.121094 MB of memory in use. ENERGY: 2429400 727.0810 2100.8684 1924.9146 112.6899 -205783.9080 17716.3744 0.0000 0.0000 34159.1917 -149042.7881 298.3207 -183201.9799 -148948.7964 299.8434 -115.2283 -83.2898 560418.7377 7.0018 7.2418 PRESSURE: 2429600 90.0785 -41.9754 35.1972 -41.9763 137.058 40.6116 35.1968 40.6133 -161.19 GPRESSURE: 2429600 135.032 -52.6705 -45.8827 -33.0141 185.667 42.676 89.9225 52.6106 -166.917 PRESSAVG: 2429600 -12.0848 -30.7468 14.0841 -30.7467 30.9365 3.69735 14.0841 3.69764 6.01727 GPRESSAVG: 2429600 -11.8985 -30.8188 13.3287 -31.4699 32.7207 3.07654 16.9487 5.22877 3.64022 TIMING: 2429600 CPU: 7323.13, 0.00301302/step Wall: 7323.13, 0.00301302/step, 2.15129 hours remaining, 208.121094 MB of memory in use. ENERGY: 2429600 701.5765 2092.4353 1927.1033 124.8664 -206128.2893 17920.1859 0.0000 0.0000 34274.1173 -149088.0047 299.3244 -183362.1220 -148994.0635 299.3170 21.9820 51.2607 560047.7346 8.2897 8.1541 PRESSURE: 2429800 79.028 -38.85 -106.237 -38.8492 -29.7319 -79.3761 -106.237 -79.3784 -88.4286 GPRESSURE: 2429800 106.571 12.6952 -131.887 -80.1884 -32.3447 -144.024 -67.2941 -150.283 -36.1247 PRESSAVG: 2429800 84.0866 1.69405 -25.9614 1.69405 -79.7624 61.0554 -25.9615 61.0554 11.0649 GPRESSAVG: 2429800 85.7844 2.42566 -25.3368 2.87223 -81.3745 59.9802 -29.6985 62.2654 11.4781 TIMING: 2429800 CPU: 7323.73, 0.00300882/step Wall: 7323.73, 0.00300882/step, 2.14813 hours remaining, 208.121094 MB of memory in use. ENERGY: 2429800 719.9130 2040.6814 1928.2466 101.8702 -206141.8166 17973.2535 0.0000 0.0000 34223.2769 -149154.5750 298.8804 -183377.8519 -149062.1138 298.9687 -13.0442 12.7006 558322.9530 5.1297 5.2960 PRESSURE: 2430000 348.134 137.769 -33.2616 137.769 54.9187 -19.0667 -33.2611 -19.0672 -56.1361 GPRESSURE: 2430000 379.338 102.631 26.5426 155.409 74.7512 -32.0656 -98.4434 -20.4436 -19.3454 PRESSAVG: 2430000 55.0132 58.0447 5.40561 58.0447 -28.6905 -37.4752 5.40563 -37.4753 -43.8062 GPRESSAVG: 2430000 54.5082 58.1012 6.94365 59.541 -29.0782 -39.5354 6.17765 -37.2337 -42.6649 TIMING: 2430000 CPU: 7324.33, 0.00300428/step Wall: 7324.33, 0.00300428/step, 2.14472 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: 2430000 756.3219 2108.9333 1920.2192 104.9063 -206348.7636 17991.0637 0.0000 0.0000 34352.2078 -149115.1113 300.0064 -183467.3191 -149019.4162 299.4288 115.6390 144.9146 556951.0972 -5.8279 -5.7450 PRESSURE: 2430200 -242.701 -5.72368 -92.3509 -5.72478 -121.168 25.2138 -92.3512 25.2151 -30.6643 GPRESSURE: 2430200 -168.728 124.289 -146.178 -75.9744 -47.0997 128.659 -104.52 -15.0791 -69.8095 PRESSAVG: 2430200 7.4691 -18.3743 -7.18837 -18.3744 2.25627 -20.8314 -7.1883 -20.8314 -38.0937 GPRESSAVG: 2430200 7.31797 -17.8944 -9.32141 -19.8965 3.38918 -18.9537 -6.91363 -22.4136 -38.9302 TIMING: 2430200 CPU: 7324.93, 0.00298406/step Wall: 7324.93, 0.00298406/step, 2.13012 hours remaining, 208.121094 MB of memory in use. ENERGY: 2430200 746.4484 2046.8409 1911.8815 118.9967 -206102.5019 17703.3226 0.0000 0.0000 34517.8365 -149057.1752 301.4529 -183575.0117 -148956.0287 299.3814 -131.5108 -95.2125 557793.5324 -9.4561 -9.4077 PRESSURE: 2430400 172.923 -176.849 91.3012 -176.849 89.3818 64.1221 91.3016 64.1218 47.9336 GPRESSURE: 2430400 139.471 -168.812 71.9437 -149.107 169.453 80.7587 163.712 55.2129 107.18 PRESSAVG: 2430400 8.51303 29.1926 -51.378 29.1927 22.1372 38.3162 -51.3779 38.3161 36.8721 GPRESSAVG: 2430400 7.93216 29.4167 -50.3357 28.478 21.2544 38.0424 -51.3865 38.8979 38.0351 TIMING: 2430400 CPU: 7325.53, 0.00298605/step Wall: 7325.53, 0.00298605/step, 2.13138 hours remaining, 208.121094 MB of memory in use. ENERGY: 2430400 734.1603 2113.8395 1943.1908 97.9784 -206315.8940 17995.1973 0.0000 0.0000 34489.8736 -148941.6542 301.2086 -183431.5278 -148849.5657 299.9701 103.4129 138.7012 556611.3164 22.5074 22.4072 PRESSURE: 2430600 -148.164 -66.428 48.4043 -66.4284 -164.332 -159.552 48.4036 -159.553 212.592 GPRESSURE: 2430600 -151.063 16.6566 -38.7517 -75.9529 -123.235 -133.481 65.1933 -170.19 281.344 PRESSAVG: 2430600 -88.4383 -30.9836 20.8444 -30.9835 56.936 32.2978 20.8444 32.2979 60.6749 GPRESSAVG: 2430600 -88.5764 -32.2938 22.0567 -28.5519 57.8891 34.5126 19.2655 30.6826 60.0342 TIMING: 2430600 CPU: 7326.13, 0.00299935/step Wall: 7326.13, 0.00299935/step, 2.1407 hours remaining, 208.121094 MB of memory in use. ENERGY: 2430600 763.3600 2089.2861 1913.4832 111.7651 -206085.7020 17819.6349 0.0000 0.0000 34374.2448 -149013.9278 300.1988 -183388.1726 -148921.1592 300.0624 -33.3015 2.3489 556931.5019 9.7242 9.7823 PRESSURE: 2430800 -269.576 8.28983 -71.9517 8.28937 3.75508 14.1667 -71.9529 14.1654 -289.376 GPRESSURE: 2430800 -222.626 -24.2035 48.5509 -23.6734 27.0302 36.8409 -73.59 26.8483 -259.289 PRESSAVG: 2430800 -27.0755 -4.94639 16.7038 -4.94643 69.8054 -15.4065 16.7038 -15.4065 -18.6593 GPRESSAVG: 2430800 -27.0221 -4.68816 16.3616 -6.50035 68.5474 -17.0016 16.2819 -14.0738 -17.5927 TIMING: 2430800 CPU: 7326.73, 0.00299987/step Wall: 7326.73, 0.00299987/step, 2.14091 hours remaining, 208.121094 MB of memory in use. ENERGY: 2430800 738.9581 2081.6326 1932.7792 113.7051 -205455.6589 17408.8413 0.0000 0.0000 34154.3609 -149025.3817 298.2785 -183179.7426 -148934.3613 299.3119 -185.0658 -151.6283 558920.1473 8.0236 7.9775 PRESSURE: 2431000 -20.9333 12.4846 92.043 12.4844 -98.9374 -68.5632 92.0427 -68.5647 6.04258 GPRESSURE: 2431000 24.3492 32.2968 99.6911 16.0241 -47.1463 -104.691 51.5121 -78.4607 5.68287 PRESSAVG: 2431000 31.1959 -81.4833 -10.3728 -81.4833 -45.9161 -8.62435 -10.3727 -8.62429 5.78182 GPRESSAVG: 2431000 31.3238 -83.9565 -11.7421 -79.8207 -44.322 -9.71104 -9.53226 -6.84385 4.6523 TIMING: 2431000 CPU: 7327.32, 0.00297211/step Wall: 7327.32, 0.00297211/step, 2.12093 hours remaining, 208.121094 MB of memory in use. ENERGY: 2431000 738.1529 2085.4731 1927.4785 106.9597 -205818.9070 17686.0914 0.0000 0.0000 34212.2706 -149062.4809 298.7843 -183274.7515 -148965.7583 299.3747 -37.9427 -5.7047 559388.7557 -2.9795 -2.7820 PRESSURE: 2431200 -120.819 -130.955 29.1391 -130.955 99.6316 74.81 29.139 74.808 71.3036 GPRESSURE: 2431200 -121.459 -104.254 -45.1399 -149.013 153.52 57.0618 101.816 71.0292 109.888 PRESSAVG: 2431200 -31.5244 -16.8161 75.6475 -16.816 -46.982 14.5869 75.6474 14.5869 116.276 GPRESSAVG: 2431200 -32.4018 -13.2615 75.6422 -20.4694 -45.8481 16.8376 77.4185 12.6129 116.056 TIMING: 2431200 CPU: 7327.92, 0.00298662/step Wall: 7327.92, 0.00298662/step, 2.13112 hours remaining, 208.121094 MB of memory in use. ENERGY: 2431200 721.1900 2024.1650 1925.8936 104.1261 -205919.2785 17661.2036 0.0000 0.0000 34357.6457 -149125.0544 300.0539 -183482.7001 -149021.2190 299.5564 16.7054 47.3160 557928.2000 12.5899 12.6021 PRESSURE: 2431400 146.151 -172.192 4.43825 -172.192 -170.863 24.8339 4.43788 24.8356 295.307 GPRESSURE: 2431400 148.062 -93.379 10.6234 -173.153 -141.25 107.634 39.5742 8.61274 354.285 PRESSAVG: 2431400 5.80493 -35.3911 58.339 -35.391 -81.4006 26.9155 58.3389 26.9156 34.7737 GPRESSAVG: 2431400 6.83506 -36.0882 58.4358 -34.1678 -82.2405 26.2118 56.4357 28.1252 34.6192 TIMING: 2431400 CPU: 7328.52, 0.00299008/step Wall: 7328.52, 0.00299008/step, 2.13342 hours remaining, 208.121094 MB of memory in use. ENERGY: 2431400 738.8614 2060.8306 1911.2636 100.7032 -206123.7338 17963.6970 0.0000 0.0000 34320.0829 -149028.2951 299.7258 -183348.3780 -148926.9311 300.1292 90.1981 120.3654 558443.5969 -13.6073 -13.5954 PRESSURE: 2431600 136.429 90.5112 56.0917 90.51 49.4215 -22.451 56.0925 -22.4528 56.9398 GPRESSURE: 2431600 203.006 127.273 24.438 90.0733 60.4056 -77.0074 -8.27008 29.9393 85.0511 PRESSAVG: 2431600 95.5072 -16.0938 29.2224 -16.0937 -71.1281 -34.0802 29.2225 -34.0802 -15.2427 GPRESSAVG: 2431600 96.4498 -16.9822 30.9267 -16.281 -71.4806 -32.9351 28.7816 -37.5345 -15.1897 TIMING: 2431600 CPU: 7329.12, 0.00300481/step Wall: 7329.12, 0.00300481/step, 2.14376 hours remaining, 208.121094 MB of memory in use. ENERGY: 2431600 729.8808 2059.6053 1937.9399 107.1978 -206427.5550 18075.1080 0.0000 0.0000 34344.2036 -149173.6196 299.9365 -183517.8232 -149080.4439 298.9142 80.9302 116.1543 558063.6586 3.0455 3.2599 PRESSURE: 2431800 37.1571 15.8461 -113.657 15.8462 -104.459 7.88132 -113.656 7.88182 61.0998 GPRESSURE: 2431800 68.1373 -3.34992 -129.008 52.7473 -91.3329 -0.354787 2.48968 34.9995 103.974 PRESSAVG: 2431800 50.1835 -48.2028 11.2537 -48.2028 -32.2334 -50.0469 11.2537 -50.0468 68.929 GPRESSAVG: 2431800 49.1883 -47.8117 9.44434 -47.4996 -31.8768 -51.3771 12.5817 -46.4948 69.5356 TIMING: 2431800 CPU: 7329.72, 0.00299519/step Wall: 7329.72, 0.00299519/step, 2.13674 hours remaining, 208.121094 MB of memory in use. ENERGY: 2431800 720.6286 2068.9981 1946.5889 106.1409 -206181.6063 17672.7997 0.0000 0.0000 34461.5392 -149204.9110 300.9612 -183666.4502 -149108.3074 299.2880 -2.0675 26.9262 557483.4927 28.9597 28.9491 PRESSURE: 2432000 -35.8564 166.42 -77.0913 166.418 -241.547 39.6284 -77.0909 39.6284 -160.135 GPRESSURE: 2432000 -15.6537 218.862 -56.461 161.409 -170.529 131.596 -104.755 23.3292 -156.354 PRESSAVG: 2432000 -18.4541 35.9159 10.1712 35.9159 -75.322 -44.818 10.1712 -44.818 61.1374 GPRESSAVG: 2432000 -19.6429 35.3033 10.1733 36.5754 -73.7069 -45.6874 9.97185 -45.6657 61.2635 TIMING: 2432000 CPU: 7330.32, 0.00300291/step Wall: 7330.32, 0.00300291/step, 2.14207 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: 2432000 757.9697 2051.0841 1958.4425 110.2849 -206309.5865 17693.8215 0.0000 0.0000 34414.3675 -149323.6163 300.5492 -183737.9839 -149227.8731 298.7122 -145.8462 -114.1791 557089.4114 -10.8795 -10.6954 PRESSURE: 2432200 -316.277 -29.8528 94.2837 -29.8522 -17.8616 -98.6467 94.2829 -98.6459 251.461 GPRESSURE: 2432200 -321.472 -67.7732 65.8368 19.8281 36.1386 -91.4169 96.4612 -93.5642 300.31 PRESSAVG: 2432200 1.48992 24.8 -20.1689 24.7999 -77.2046 12.9319 -20.1689 12.9318 40.2467 GPRESSAVG: 2432200 3.58282 26.1376 -16.824 23.1819 -77.4377 15.4962 -22.2601 12.4211 38.6981 TIMING: 2432200 CPU: 7330.92, 0.00300881/step Wall: 7330.92, 0.00300881/step, 2.14612 hours remaining, 208.121094 MB of memory in use. ENERGY: 2432200 769.0524 2065.7217 1943.1194 121.1721 -206216.6327 17745.3577 0.0000 0.0000 34108.4865 -149463.7231 297.8779 -183572.2096 -149357.4245 298.4928 -27.5592 4.9921 557450.7423 -11.8227 -11.7189 LDB: ============= START OF LOAD BALANCING ============== 7334.43 LDB: ============== END OF LOAD BALANCING =============== 7334.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7334.44 LDB: ============= START OF LOAD BALANCING ============== 7334.74 LDB: Largest compute 4772 load 0.030031 is 25.5% of average load 0.117971 LDB: Average compute 0.001718 is 1.5% of average load 0.117971 LDB: TIME 7334.74 LOAD: AVG 0.117971 MAX 0.204257 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.711 MB LDB: TIME 7334.74 LOAD: AVG 0.117971 MAX 0.204257 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.914 MB LDB: TIME 7334.74 LOAD: AVG 0.117971 MAX 0.204257 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.914 MB LDB: ============== END OF LOAD BALANCING =============== 7334.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7334.74 PRESSURE: 2432400 -105.21 23.6441 -18.8057 23.6434 -90.094 150.29 -18.8057 150.291 -100.455 GPRESSURE: 2432400 -52.8477 -52.1507 58.6143 28.2099 -68.1207 139.654 -67.8802 118.595 -75.059 PRESSAVG: 2432400 -53.7586 -53.8808 10.802 -53.8809 -3.39533 8.683 10.802 8.68292 30.3922 GPRESSAVG: 2432400 -54.9834 -53.5785 9.49833 -53.6216 -2.95681 9.47926 13.8528 9.4686 30.9914 TIMING: 2432400 CPU: 7331.53, 0.00304479/step Wall: 7331.53, 0.00304479/step, 2.17161 hours remaining, 208.429688 MB of memory in use. ENERGY: 2432400 754.8304 2023.7266 1942.1925 117.9958 -206396.0807 17958.5864 0.0000 0.0000 34188.8959 -149409.8531 298.5801 -183598.7490 -149316.1381 298.1754 -98.5864 -65.3425 559211.5053 -8.9206 -8.9829 PRESSURE: 2432600 5.32494 126.84 212.911 126.84 -237.853 198.315 212.912 198.316 16.6574 GPRESSURE: 2432600 64.7868 123.177 234.693 159.875 -210.569 150.3 112.646 241.529 15.4046 PRESSAVG: 2432600 -21.7407 -32.7812 54.8212 -32.7813 61.2532 9.56115 54.8212 9.56115 10.6168 GPRESSAVG: 2432600 -21.104 -32.8629 53.5173 -32.8756 61.8385 6.20374 54.7471 9.77307 9.48088 TIMING: 2432600 CPU: 7332.13, 0.00300943/step Wall: 7332.13, 0.00300943/step, 2.14623 hours remaining, 208.429688 MB of memory in use. ENERGY: 2432600 757.1470 2095.8051 1979.5251 107.7363 -206380.9293 17769.4573 0.0000 0.0000 34171.1571 -149500.1014 298.4252 -183671.2585 -149405.9122 298.8291 -71.9569 -43.4591 558630.2845 16.7098 16.7385 PRESSURE: 2432800 167.083 -124.928 197.162 -124.927 205.287 -62.4044 197.161 -62.4039 62.554 GPRESSURE: 2432800 191.065 -1.21992 144.149 -156.183 204.785 -65.7243 180.323 -85.3737 127.497 PRESSAVG: 2432800 4.57216 -43.7699 -17.6489 -43.77 -26.0336 13.8246 -17.6489 13.8244 48.8769 GPRESSAVG: 2432800 4.62902 -43.2106 -17.8564 -41.737 -26.8668 16.8106 -17.0815 12.1473 49.4716 TIMING: 2432800 CPU: 7332.73, 0.00301114/step Wall: 7332.73, 0.00301114/step, 2.14727 hours remaining, 208.691406 MB of memory in use. ENERGY: 2432800 729.8662 2045.7382 1944.9329 118.7914 -206620.6834 18000.1420 0.0000 0.0000 34187.4103 -149593.8024 298.5672 -183781.2126 -149497.8059 298.2977 144.9746 174.4490 556545.7139 9.1385 9.0779 PRESSURE: 2433000 2.06872 196.84 -10.2931 196.84 0.111287 144.843 -10.2934 144.842 110.442 GPRESSURE: 2433000 16.1314 155.976 31.0227 131.463 18.7425 180.266 -74.1043 79.2337 166.456 PRESSAVG: 2433000 7.3325 -23.4446 -11.8685 -23.4447 20.6039 -7.31888 -11.8685 -7.31895 -32.6031 GPRESSAVG: 2433000 7.06235 -23.3309 -9.93877 -25.8952 19.1911 -10.7799 -14.916 -6.0873 -31.5155 TIMING: 2433000 CPU: 7333.33, 0.00300991/step Wall: 7333.33, 0.00300991/step, 2.14624 hours remaining, 208.691406 MB of memory in use. ENERGY: 2433000 707.2040 2110.9664 1966.4720 115.6266 -206215.2083 17860.3057 0.0000 0.0000 33859.8725 -149594.7611 295.7067 -183454.6336 -149500.4170 297.8927 37.5408 67.1098 557411.0800 -1.5555 -1.7540 PRESSURE: 2433200 -209.452 49.4044 -2.15692 49.4034 251.959 166.074 -2.15695 166.074 77.6536 GPRESSURE: 2433200 -95.5937 52.9716 -70.3297 71.9346 227.52 190.683 -65.2449 160.529 85.9907 PRESSAVG: 2433200 22.8421 -10.6609 9.581 -10.6609 -3.07782 16.5957 9.58103 16.5957 -56.6931 GPRESSAVG: 2433200 23.3687 -12.3542 9.06105 -9.34317 -3.49268 18.2545 11.4086 15.3484 -56.7178 TIMING: 2433200 CPU: 7333.93, 0.00299901/step Wall: 7333.93, 0.00299901/step, 2.13829 hours remaining, 208.691406 MB of memory in use. ENERGY: 2433200 748.4002 2079.7738 1954.9336 107.6458 -206465.5068 17862.9797 0.0000 0.0000 34230.8948 -149480.8789 298.9469 -183711.7737 -149378.8195 298.5637 40.0534 72.6390 556252.9203 -12.3096 -12.2806 PRESSURE: 2433400 21.8915 303.181 -15.5597 303.182 148.828 -113.088 -15.5589 -113.088 7.91676 GPRESSURE: 2433400 94.9846 321.59 21.9421 165.25 147.73 -97.227 -73.4885 -99.3082 32.8123 PRESSAVG: 2433400 42.8616 4.73705 61.9517 4.73697 -20.589 -8.53319 61.9518 -8.5332 -0.145812 GPRESSAVG: 2433400 42.4351 5.81495 62.6113 5.47178 -19.5988 -7.14949 61.2302 -8.9043 -0.109819 TIMING: 2433400 CPU: 7334.53, 0.00299986/step Wall: 7334.53, 0.00299986/step, 2.13873 hours remaining, 208.691406 MB of memory in use. ENERGY: 2433400 782.9646 2062.5050 1919.5824 103.1659 -206806.8401 18197.3397 0.0000 0.0000 34225.6888 -149515.5936 298.9015 -183741.2825 -149416.2104 298.5734 59.5455 91.8423 557369.3895 7.3756 7.5755 PRESSURE: 2433600 -156.649 -0.417194 -23.2581 -0.41681 -160.469 -118.172 -23.257 -118.174 147.065 GPRESSURE: 2433600 -123.205 24.2783 -58.8552 7.32682 -112.577 -27.96 -31.3633 -103.129 157.247 PRESSAVG: 2433600 1.33069 14.1491 1.81272 14.1492 -46.6555 -25.827 1.81275 -25.827 17.9214 GPRESSAVG: 2433600 2.01828 13.9371 2.23654 13.2688 -47.1813 -27.9141 1.16342 -24.9641 17.4948 TIMING: 2433600 CPU: 7335.13, 0.00297905/step Wall: 7335.13, 0.00297905/step, 2.12373 hours remaining, 208.691406 MB of memory in use. ENERGY: 2433600 764.3000 2096.5002 1932.6926 110.5561 -206167.8396 17758.8696 0.0000 0.0000 34106.4515 -149398.4696 297.8601 -183504.9211 -149300.4710 297.9299 -56.6847 -26.1780 556912.3126 -9.1345 -9.2227 PRESSURE: 2433800 -32.1372 -47.6223 -111.174 -47.6222 -100.82 89.4877 -111.174 89.4885 -116.527 GPRESSURE: 2433800 -19.0756 31.9995 -186.824 -34.3651 -71.8366 104.522 -30.1753 8.1181 -59.0778 PRESSAVG: 2433800 -44.5068 2.41834 -20.2563 2.41839 24.3852 -40.7896 -20.2563 -40.7896 -6.30154 GPRESSAVG: 2433800 -44.8966 0.621916 -22.2617 3.1027 25.2635 -40.9529 -18.6928 -40.9974 -6.84603 TIMING: 2433800 CPU: 7335.72, 0.0029564/step Wall: 7335.72, 0.0029564/step, 2.10742 hours remaining, 208.691406 MB of memory in use. ENERGY: 2433800 800.4162 2042.0469 1952.7735 115.8320 -206422.1946 17950.2052 0.0000 0.0000 34263.6104 -149297.3104 299.2326 -183560.9208 -149213.6830 299.1348 -83.1614 -49.9967 558378.3286 -8.8077 -8.8264 PRESSURE: 2434000 -220.917 173.402 220.417 173.401 -188.468 -26.2005 220.417 -26.2005 103.212 GPRESSURE: 2434000 -266.799 91.3222 265.244 250.028 -117.637 -12.3636 149.136 -15.1721 186.76 PRESSAVG: 2434000 -8.79855 7.36166 -34.246 7.36168 11.8157 -66.4924 -34.246 -66.4924 31.6338 GPRESSAVG: 2434000 -9.73088 10.0102 -33.1559 6.9133 10.996 -65.3122 -34.7508 -67.3961 33.7089 TIMING: 2434000 CPU: 7336.31, 0.0029653/step Wall: 7336.31, 0.0029653/step, 2.1136 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: 2434000 787.2634 2096.0745 1933.6136 113.4163 -206113.3837 17770.0143 0.0000 0.0000 34108.1526 -149304.8491 297.8750 -183413.0017 -149209.4111 298.7786 -102.0579 -65.8919 558617.9673 11.5503 11.6580 PRESSURE: 2434200 97.0749 131.753 -38.7414 131.753 -129.065 -60.6325 -38.7415 -60.6319 85.7534 GPRESSURE: 2434200 121.21 72.6801 14.1983 133.65 -81.6373 -70.2028 -16.182 -130.471 125.633 PRESSAVG: 2434200 -33.3462 -16.2754 -14.3249 -16.2754 -44.8525 22.1659 -14.3249 22.1658 78.3563 GPRESSAVG: 2434200 -33.7164 -18.5493 -15.7693 -16.4232 -43.4431 21.8709 -12.9898 22.9903 77.8719 TIMING: 2434200 CPU: 7336.91, 0.00299937/step Wall: 7336.91, 0.00299937/step, 2.13772 hours remaining, 208.691406 MB of memory in use. ENERGY: 2434200 729.7870 2052.4956 1946.3390 129.8664 -206260.6080 17755.7572 0.0000 0.0000 34265.8121 -149380.5508 299.2519 -183646.3629 -149282.2574 299.0805 17.9210 55.0686 557674.0783 0.0526 0.2375 PRESSURE: 2434400 39.174 -55.4347 73.7748 -55.4358 81.2872 -51.5491 73.7754 -51.5472 -28.9676 GPRESSURE: 2434400 81.1459 -160.651 35.5719 -65.5892 74.2394 -77.1921 137.655 -39.3074 29.0243 PRESSAVG: 2434400 4.5475 -3.47335 42.1239 -3.47332 -23.2753 -11.848 42.124 -11.848 54.0643 GPRESSAVG: 2434400 6.02085 -2.53507 42.7394 -4.13438 -23.9042 -12.2842 41.7237 -11.3865 53.1371 TIMING: 2434400 CPU: 7337.51, 0.00299185/step Wall: 7337.51, 0.00299185/step, 2.1322 hours remaining, 208.691406 MB of memory in use. ENERGY: 2434400 728.3499 2055.4728 1915.1202 121.2675 -206330.6855 17989.6757 0.0000 0.0000 33957.1733 -149563.6261 296.5564 -183520.7995 -149469.6740 298.5767 30.4979 61.4699 556359.6827 11.7788 11.7512 PRESSURE: 2434600 8.25462 -29.3672 6.33714 -29.3666 -99.5744 28.4927 6.33855 28.4932 377.987 GPRESSURE: 2434600 44.3885 -24.513 -62.8749 -42.3133 -74.8205 -13.9373 40.8125 6.72811 403.399 PRESSAVG: 2434600 -26.8191 11.3653 26.1373 11.3653 -37.9236 33.134 26.1372 33.134 29.4375 GPRESSAVG: 2434600 -28.2938 10.9292 24.2687 13.1611 -36.9781 32.6291 26.6956 33.0974 29.5468 TIMING: 2434600 CPU: 7338.11, 0.00300556/step Wall: 7338.11, 0.00300556/step, 2.1418 hours remaining, 208.925781 MB of memory in use. ENERGY: 2434600 756.9177 2066.9395 1915.3882 105.3790 -206596.2599 17950.4662 0.0000 0.0000 34305.1297 -149496.0396 299.5952 -183801.1693 -149402.7971 298.1957 95.5558 124.3223 557061.0432 -11.7684 -11.9083 PRESSURE: 2434800 241.324 68.2178 -121.963 68.2162 3.19931 -56.2325 -121.961 -56.2348 67.8627 GPRESSURE: 2434800 239.699 49.2576 -151.187 9.05095 72.8252 -53.7213 -66.6998 -116.01 108.186 PRESSAVG: 2434800 -32.7515 33.8573 -6.83577 33.8573 -31.253 -14.9831 -6.83566 -14.9831 100.78 GPRESSAVG: 2434800 -32.9054 34.5156 -4.13404 33.9038 -31.3879 -12.7057 -6.61833 -15.8333 100.868 TIMING: 2434800 CPU: 7338.71, 0.00299786/step Wall: 7338.71, 0.00299786/step, 2.13614 hours remaining, 208.925781 MB of memory in use. ENERGY: 2434800 736.9119 2105.9715 1934.7255 108.4556 -206639.2375 18114.5736 0.0000 0.0000 34073.2440 -149565.3554 297.5701 -183638.5994 -149470.5680 298.3504 104.1286 140.2367 557884.5962 12.2584 12.1914 PRESSURE: 2435000 78.7545 68.905 -77.9744 68.9047 -86.8983 5.49735 -77.9739 5.49657 -199.273 GPRESSURE: 2435000 114.711 58.0532 -49.8629 113.838 -88.5721 -51.1054 3.34072 46.234 -152.243 PRESSAVG: 2435000 42.6633 40.4982 44.078 40.4982 -42.4066 51.8062 44.078 51.8063 -18.7577 GPRESSAVG: 2435000 42.38 41.5711 44.3274 38.3808 -43.269 48.3747 42.8996 53.6903 -18.3982 TIMING: 2435000 CPU: 7339.31, 0.00299631/step Wall: 7339.31, 0.00299631/step, 2.13487 hours remaining, 208.925781 MB of memory in use. ENERGY: 2435000 705.4521 2097.1847 1942.6489 111.2497 -206284.9849 17710.5627 0.0000 0.0000 34211.1460 -149506.7407 298.7744 -183717.8867 -149411.7666 298.0569 -69.1390 -42.0348 557798.3291 -6.1670 -6.4291 PRESSURE: 2435200 137.519 -111.978 120.547 -111.978 30.8999 114.028 120.547 114.028 -119.23 GPRESSURE: 2435200 197.59 -141.489 133.261 -123.609 1.0248 108.407 93.4696 118.284 -45.0272 PRESSAVG: 2435200 34.6312 14.1207 -31.64 14.1208 41.3464 -18.7157 -31.6401 -18.7158 -47.2527 GPRESSAVG: 2435200 35.5854 12.7403 -32.4914 14.387 41.086 -15.6993 -29.584 -22.2415 -47.3672 TIMING: 2435200 CPU: 7339.91, 0.00299389/step Wall: 7339.91, 0.00299389/step, 2.13298 hours remaining, 208.925781 MB of memory in use. ENERGY: 2435200 717.5367 2089.3492 1937.5897 108.8466 -206225.1201 17880.0759 0.0000 0.0000 34092.1719 -149399.5502 297.7354 -183491.7221 -149299.8864 298.7203 16.3964 51.1960 558023.5624 9.5750 9.7681 PRESSURE: 2435400 -258.155 -31.7086 -100.101 -31.7073 -98.3786 -96.832 -100.1 -96.8307 -133.895 GPRESSURE: 2435400 -249.252 5.63055 -109.046 -20.1453 -83.5349 -5.25571 -143.266 -84.2675 -53.2494 PRESSAVG: 2435400 22.6714 38.2058 -37.1734 38.2058 -72.4341 4.37844 -37.1733 4.37855 22.2955 GPRESSAVG: 2435400 21.3648 37.6726 -35.9369 38.339 -71.9606 5.33555 -39.6827 5.68059 22.513 TIMING: 2435400 CPU: 7340.51, 0.00300065/step Wall: 7340.51, 0.00300065/step, 2.13763 hours remaining, 208.925781 MB of memory in use. ENERGY: 2435400 737.1646 2105.0373 1916.0229 116.2577 -206136.8894 17643.1595 0.0000 0.0000 34275.3289 -149343.9185 299.3350 -183619.2474 -149248.4949 299.1003 -163.4762 -128.6786 558131.8142 -9.1557 -9.3609 PRESSURE: 2435600 -47.811 -11.0613 -169.223 -11.0613 -44.1592 -36.7139 -169.225 -36.7139 -97.0329 GPRESSURE: 2435600 39.1156 -65.2264 -169.533 -23.3111 4.51515 -54.072 -182.656 1.68974 -142.88 PRESSAVG: 2435600 36.9799 57.6763 -65.4883 57.6763 -64.196 -34.0229 -65.4884 -34.0228 24.7879 GPRESSAVG: 2435600 37.8577 59.0115 -67.3722 57.9622 -64.3817 -35.2149 -63.8632 -33.5737 24.2488 TIMING: 2435600 CPU: 7341.11, 0.00299448/step Wall: 7341.11, 0.00299448/step, 2.13307 hours remaining, 208.925781 MB of memory in use. ENERGY: 2435600 751.4650 2022.6828 1939.8706 104.8846 -206235.9185 17686.9422 0.0000 0.0000 34261.8819 -149468.1914 299.2175 -183730.0734 -149363.1199 298.4950 -63.0010 -33.0830 556445.9884 -0.8094 -0.7584 PRESSURE: 2435800 -150.649 8.97561 -9.41398 8.97411 -320.405 42.6517 -9.41469 42.651 -430.039 GPRESSURE: 2435800 -117.911 44.5494 9.74979 -27.9552 -274.323 54.6302 17.8195 44.103 -403.329 PRESSAVG: 2435800 -8.42307 33.2057 -6.71498 33.2058 -30.9471 17.3553 -6.71502 17.3554 0.14134 GPRESSAVG: 2435800 -9.10298 33.8058 -5.4217 32.6146 -29.5909 18.2576 -8.62171 16.8081 0.242406 TIMING: 2435800 CPU: 7341.71, 0.00298127/step Wall: 7341.71, 0.00298127/step, 2.12349 hours remaining, 208.925781 MB of memory in use. ENERGY: 2435800 724.4932 2098.6183 1927.9458 114.5420 -206052.6068 17518.3196 0.0000 0.0000 34340.7148 -149327.9731 299.9060 -183668.6879 -149230.5585 298.5352 -300.3644 -265.1878 558536.9976 -13.0763 -12.8172 PRESSURE: 2436000 414.71 -7.92828 4.77444 -7.92837 -13.9384 -48.1067 4.77307 -48.1066 95.9561 GPRESSURE: 2436000 476.075 22.8579 -61.5864 -10.7402 -4.8788 -178.348 3.79362 -33.0928 135.269 PRESSAVG: 2436000 76.7419 -21.5505 -42.3812 -21.5504 -25.0025 24.4229 -42.3811 24.4229 -11.1982 GPRESSAVG: 2436000 78.2996 -21.7067 -42.6757 -21.3021 -26.565 21.2257 -41.8073 25.0316 -11.274 TIMING: 2436000 CPU: 7342.31, 0.00300726/step Wall: 7342.31, 0.00300726/step, 2.14184 hours remaining, 208.925781 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: 2436000 737.0194 2159.5618 1931.9238 102.7823 -206760.3487 18120.5233 0.0000 0.0000 34296.8900 -149411.6479 299.5233 -183708.5380 -149322.1852 299.0930 165.5760 202.1554 556913.8640 13.5137 13.4869 PRESSURE: 2436200 -78.0242 14.6798 -19.7177 14.6802 -170.834 -77.3497 -19.7185 -77.3495 -110.437 GPRESSURE: 2436200 -30.0073 85.5222 -19.6867 -59.3078 -143.082 -143.857 -61.7408 -41.945 -98.5224 PRESSAVG: 2436200 -5.37795 -8.88282 -2.91277 -8.88272 -10.3922 -1.06538 -2.91279 -1.06546 -0.947312 GPRESSAVG: 2436200 -5.72509 -9.56839 -4.37128 -8.6525 -10.2989 1.33565 -1.00201 -1.30215 -1.56665 TIMING: 2436200 CPU: 7342.9, 0.00294231/step Wall: 7342.9, 0.00294231/step, 2.09542 hours remaining, 208.925781 MB of memory in use. ENERGY: 2436200 753.9811 2092.1567 1925.4835 112.6961 -206366.7681 17825.9215 0.0000 0.0000 34310.4662 -149346.0630 299.6418 -183656.5292 -149248.5682 298.5975 -119.7652 -90.5373 558986.9191 -5.5725 -5.8635 LDB: ============= START OF LOAD BALANCING ============== 7346.41 LDB: ============== END OF LOAD BALANCING =============== 7346.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7346.41 LDB: ============= START OF LOAD BALANCING ============== 7346.71 LDB: Largest compute 4772 load 0.029569 is 25.0% of average load 0.118060 LDB: Average compute 0.001724 is 1.5% of average load 0.118060 LDB: TIME 7346.71 LOAD: AVG 0.11806 MAX 0.203087 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.934 MB LDB: TIME 7346.71 LOAD: AVG 0.11806 MAX 0.203087 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.938 MB LDB: TIME 7346.71 LOAD: AVG 0.11806 MAX 0.203087 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.938 MB LDB: ============== END OF LOAD BALANCING =============== 7346.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7346.72 PRESSURE: 2436400 367.604 -110.537 -34.5918 -110.538 -338.678 -13.1953 -34.5908 -13.1962 26.97 GPRESSURE: 2436400 391.49 -127.673 29.9573 -145.364 -297.502 36.7818 -7.08626 12.808 46.2649 PRESSAVG: 2436400 56.0623 -10.2201 0.212938 -10.2199 -28.8855 30.9647 0.212997 30.9647 -34.432 GPRESSAVG: 2436400 56.5117 -10.2231 0.922222 -9.03835 -29.6151 30.8662 -1.42603 32.206 -34.314 TIMING: 2436400 CPU: 7343.5, 0.00301861/step Wall: 7343.5, 0.00301861/step, 2.14959 hours remaining, 209.257812 MB of memory in use. ENERGY: 2436400 691.6988 2096.5751 1935.3492 105.9875 -205869.6167 17691.1876 0.0000 0.0000 33953.5002 -149395.3182 296.5244 -183348.8185 -149302.8983 298.8234 18.6321 46.7509 557697.5859 -2.4184 -2.4725 PRESSURE: 2436600 191.55 38.4227 53.4071 38.4233 -166.143 -37.6407 53.4073 -37.6407 33.6811 GPRESSURE: 2436600 177.485 16.8302 4.0721 65.4077 -152.009 -92.8729 98.4711 9.7876 123.058 PRESSAVG: 2436600 15.2792 -50.8194 1.07115 -50.8194 -15.5477 9.17731 1.07113 9.1774 -49.0222 GPRESSAVG: 2436600 14.9555 -51.042 1.75648 -50.7687 -15.2255 8.61982 3.15904 10.125 -48.8621 TIMING: 2436600 CPU: 7344.09, 0.0029708/step Wall: 7344.09, 0.0029708/step, 2.11537 hours remaining, 209.460938 MB of memory in use. ENERGY: 2436600 726.4721 2104.0032 1952.8707 111.1565 -206501.7198 17935.5138 0.0000 0.0000 34232.6647 -149439.0389 298.9624 -183671.7036 -149340.1187 298.7285 19.6958 49.5114 557829.0218 -16.4302 -16.3774 PRESSURE: 2436800 -293.344 -89.874 82.7807 -89.8729 -271.791 -18.3458 82.7797 -18.3458 -170.733 GPRESSURE: 2436800 -205.578 -1.17621 17.5842 -124.458 -234.365 41.752 69.5377 -29.2535 -195.087 PRESSAVG: 2436800 -51.5995 -47.5766 27.5419 -47.5766 -7.28038 -44.7124 27.542 -44.7123 82.6313 GPRESSAVG: 2436800 -52.287 -45.92 29.6585 -49.2953 -7.13693 -42.7143 25.1142 -46.7363 82.6892 TIMING: 2436800 CPU: 7344.69, 0.00298058/step Wall: 7344.69, 0.00298058/step, 2.12217 hours remaining, 209.460938 MB of memory in use. ENERGY: 2436800 762.8860 2108.8460 1938.5496 107.8384 -206192.2348 17504.0656 0.0000 0.0000 34301.6407 -149468.4085 299.5648 -183770.0492 -149363.3186 298.9996 -245.2893 -211.6767 557134.4862 7.9172 7.7551 PRESSURE: 2437000 229.008 117.122 -188.042 117.122 -95.8974 0.455771 -188.042 0.455355 -83.7342 GPRESSURE: 2437000 305.516 69.5641 -294.553 144.619 -16.1286 -24.8238 -88.4631 12.4714 -150.606 PRESSAVG: 2437000 58.7387 -14.2675 -34.6799 -14.2675 -10.475 24.5981 -34.6799 24.5982 -0.235562 GPRESSAVG: 2437000 58.3046 -16.4558 -34.8136 -13.0408 -9.1402 21.3818 -34.6964 25.6235 -0.935434 TIMING: 2437000 CPU: 7345.29, 0.00298266/step Wall: 7345.29, 0.00298266/step, 2.12349 hours remaining, 209.460938 MB of memory in use. ENERGY: 2437000 742.2107 2058.3878 1937.1293 116.4046 -206471.6493 17934.9510 0.0000 0.0000 34313.5843 -149368.9816 299.6691 -183682.5659 -149271.7706 298.6753 16.4587 46.2604 556904.7814 16.0094 16.0763 PRESSURE: 2437200 146.658 -1.15858 -150.01 -1.15908 -2.47316 94.0492 -150.011 94.0493 -33.7612 GPRESSURE: 2437200 200.408 -13.6471 -159.031 -112.572 24.8286 15.3499 -78.2813 86.9281 -27.1672 PRESSAVG: 2437200 -2.93143 3.00455 -6.46353 3.00459 -11.6335 7.64966 -6.46365 7.64955 6.52375 GPRESSAVG: 2437200 -3.37236 2.80956 -7.91569 4.2029 -12.3522 8.10635 -5.21999 6.65178 7.9838 TIMING: 2437200 CPU: 7345.88, 0.00296733/step Wall: 7345.88, 0.00296733/step, 2.11241 hours remaining, 209.460938 MB of memory in use. ENERGY: 2437200 766.4005 2137.9385 1942.9475 109.1524 -206491.8924 17834.6346 0.0000 0.0000 34192.5965 -149508.2224 298.6124 -183700.8189 -149416.7120 298.7154 36.8079 66.0231 557363.2231 -2.6804 -2.5803 PRESSURE: 2437400 33.8098 -114.454 -64.4505 -114.453 -115.587 -56.2785 -64.4513 -56.2772 -110.928 GPRESSURE: 2437400 95.1491 -130.551 -115.252 -13.4542 -78.4496 10.3151 -51.7432 -129.73 -102.328 PRESSAVG: 2437400 21.1429 -73.8637 -29.081 -73.8637 61.8181 44.1036 -29.0811 44.1038 -40.7828 GPRESSAVG: 2437400 23.3727 -72.97 -29.272 -74.2249 60.2672 44.8469 -29.0452 44.7356 -41.2575 TIMING: 2437400 CPU: 7346.47, 0.00296964/step Wall: 7346.47, 0.00296964/step, 2.11389 hours remaining, 209.460938 MB of memory in use. ENERGY: 2437400 761.3848 2092.5136 1918.2572 96.8871 -206165.8709 17723.7035 0.0000 0.0000 34121.3933 -149451.7315 297.9906 -183573.1248 -149352.2202 298.4796 -64.2349 -28.5429 556863.5070 14.0594 14.1275 PRESSURE: 2437600 -56.5272 -34.1709 -16.1063 -34.1701 142.62 3.5597 -16.1059 3.55966 -2.24668 GPRESSURE: 2437600 5.6302 68.7626 -70.2638 -112.119 168.429 0.0161946 -21.6939 -41.9763 8.98643 PRESSAVG: 2437600 -13.2718 -30.9583 5.92414 -30.9583 -48.4268 16.3673 5.92415 16.3674 34.6577 GPRESSAVG: 2437600 -14.372 -31.2914 6.69967 -30.5081 -47.6447 15.9618 5.76319 14.8963 34.8767 TIMING: 2437600 CPU: 7347.07, 0.00296175/step Wall: 7347.07, 0.00296175/step, 2.10811 hours remaining, 209.460938 MB of memory in use. ENERGY: 2437600 738.0668 2140.7549 1931.5192 118.8784 -206714.3873 18172.9015 0.0000 0.0000 34224.0735 -149388.1929 298.8873 -183612.2664 -149294.0451 299.2022 27.9488 61.0154 558461.4873 -9.0136 -9.0467 PRESSURE: 2437800 75.6377 60.7316 36.7477 60.7331 98.236 -158.696 36.7475 -158.697 186.15 GPRESSURE: 2437800 142.063 5.29418 -55.8322 50.589 97.9575 -81.055 36.1774 -177.361 214.689 PRESSAVG: 2437800 -45.4399 36.7048 -1.17352 36.7048 -13.2022 -56.5576 -1.17355 -56.5576 25.1987 GPRESSAVG: 2437800 -45.0952 37.3178 -2.92129 36.0388 -13.1256 -56.916 -0.491678 -54.6552 24.973 TIMING: 2437800 CPU: 7347.66, 0.00298051/step Wall: 7347.66, 0.00298051/step, 2.1213 hours remaining, 209.460938 MB of memory in use. ENERGY: 2437800 735.4626 2129.4736 1944.7903 109.0125 -206473.7359 17932.8315 0.0000 0.0000 34212.7787 -149409.3867 298.7887 -183622.1654 -149307.5987 298.6846 120.0079 151.5698 556330.8506 -11.1478 -11.0826 PRESSURE: 2438000 88.4611 57.2818 123.378 57.2824 -64.1953 -10.5151 123.379 -10.5139 -121.368 GPRESSURE: 2438000 122.31 92.6752 134.165 21.3229 -8.1887 -13.1885 97.1426 -35.8653 -116.087 PRESSAVG: 2438000 36.0435 7.79719 0.463905 7.79718 -16.2374 -30.582 0.463911 -30.5819 14.0467 GPRESSAVG: 2438000 34.5918 6.09514 1.04627 8.73267 -15.0136 -29.4811 -0.519294 -30.5448 14.339 TIMING: 2438000 CPU: 7348.27, 0.00303169/step Wall: 7348.27, 0.00303169/step, 2.15755 hours remaining, 209.460938 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: 2438000 773.6634 2163.3665 1927.3663 121.5371 -206543.4362 17950.6884 0.0000 0.0000 34266.6204 -149340.1941 299.2589 -183606.8145 -149249.2680 298.6862 -32.3672 -0.6553 556111.7235 11.2842 11.3057 PRESSURE: 2438200 -79.6501 -78.3391 21.6551 -78.3374 -329.636 -138.899 21.6557 -138.899 -201.219 GPRESSURE: 2438200 -81.2676 -24.2416 -4.71829 -98.8725 -287.929 -26.4667 102.701 -159.309 -151.79 PRESSAVG: 2438200 -25.0414 70.5449 -54.5169 70.5449 61.3243 27.8574 -54.5169 27.8573 -45.6722 GPRESSAVG: 2438200 -24.7414 72.4827 -53.9541 68.6717 61.0339 27.243 -55.0064 26.9638 -45.6816 TIMING: 2438200 CPU: 7348.86, 0.00298278/step Wall: 7348.86, 0.00298278/step, 2.12258 hours remaining, 209.664062 MB of memory in use. ENERGY: 2438200 748.2536 2117.0771 1957.6797 111.6547 -206088.7592 17559.4112 0.0000 0.0000 34221.8697 -149372.8132 298.8681 -183594.6829 -149268.5147 299.4267 -203.5015 -173.6621 558116.0184 -3.1298 -3.1297 PRESSURE: 2438400 17.6697 -41.9377 -88.6114 -41.9382 -28.9808 38.6036 -88.612 38.6021 -193.173 GPRESSURE: 2438400 17.3923 -20.7917 -112.898 37.6622 13.3083 141.664 -104.004 13.4636 -141.986 PRESSAVG: 2438400 13.6957 20.3019 -9.75585 20.302 -10.5391 33.6216 -9.75579 33.6216 -5.39121 GPRESSAVG: 2438400 14.9233 18.6801 -10.6891 20.8665 -11.9881 31.0822 -10.2645 35.6981 -5.93691 TIMING: 2438400 CPU: 7349.46, 0.0029639/step Wall: 7349.46, 0.0029639/step, 2.10898 hours remaining, 209.664062 MB of memory in use. ENERGY: 2438400 737.2290 2067.3175 1957.2925 125.0606 -206209.3917 17730.6757 0.0000 0.0000 34269.5587 -149322.2577 299.2846 -183591.8164 -149226.2594 298.9666 -68.1615 -37.0951 558786.8498 -0.7449 -1.0006 PRESSURE: 2438600 1.87455 116.139 37.1484 116.139 1.7072 -41.4573 37.1487 -41.4558 -61.1203 GPRESSURE: 2438600 41.9309 57.694 41.7102 205.708 -5.12831 -35.4867 1.02173 -132.975 14.432 PRESSAVG: 2438600 28.4054 19.7355 -22.6202 19.7355 28.1642 6.21371 -22.6202 6.2137 -28.1463 GPRESSAVG: 2438600 26.8018 20.3207 -22.6029 18.675 28.7459 8.5748 -21.9769 3.49619 -27.041 TIMING: 2438600 CPU: 7350.05, 0.0029589/step Wall: 7350.05, 0.0029589/step, 2.10525 hours remaining, 209.664062 MB of memory in use. ENERGY: 2438600 751.9294 2063.9789 1942.8973 107.7343 -205966.1021 17736.6295 0.0000 0.0000 34323.1128 -149039.8200 299.7523 -183362.9328 -148941.0768 298.9012 -19.1795 17.0782 558243.4719 9.4744 9.5022 PRESSURE: 2438800 -68.8565 -204.082 183.188 -204.082 7.71801 -106.406 183.187 -106.405 -256.505 GPRESSURE: 2438800 -77.4734 -153.934 251.727 -144.266 52.8066 -109.839 178.989 -58.6715 -191.632 PRESSAVG: 2438800 40.4188 -5.73155 -0.82296 -5.73162 54.8612 -78.5678 -0.823 -78.5679 -96.1793 GPRESSAVG: 2438800 41.9902 -4.10596 1.79516 -5.64467 55.4266 -78.5413 -0.46922 -77.3337 -97.6876 TIMING: 2438800 CPU: 7350.65, 0.00299402/step Wall: 7350.65, 0.00299402/step, 2.13008 hours remaining, 209.664062 MB of memory in use. ENERGY: 2438800 760.2557 2053.9307 1944.7320 110.3748 -206432.0323 17850.5354 0.0000 0.0000 34625.4502 -149086.7534 302.3927 -183712.2036 -148986.2275 300.0562 -105.8813 -72.0997 558673.8766 -0.2998 -0.0903 PRESSURE: 2439000 163.522 113.698 -19.3061 113.698 78.4797 -48.3174 -19.304 -48.3181 -273.899 GPRESSURE: 2439000 204.098 102.435 -108.237 97.9401 127.609 -53.5724 -47.2569 -0.930451 -263.071 PRESSAVG: 2439000 2.40406 30.6719 27.1897 30.6718 49.801 10.89 27.1897 10.8901 -79.6596 GPRESSAVG: 2439000 1.50662 28.2433 25.6823 31.5764 48.606 9.79177 27.3166 11.2963 -78.2052 TIMING: 2439000 CPU: 7351.25, 0.00299826/step Wall: 7351.25, 0.00299826/step, 2.13293 hours remaining, 209.664062 MB of memory in use. ENERGY: 2439000 745.5848 2089.7408 1942.8817 119.0909 -206131.5217 17733.8518 0.0000 0.0000 34389.2037 -149111.1680 300.3295 -183500.3717 -149009.2246 299.5768 -10.6324 22.8789 557806.8900 -9.1515 -9.3642 PRESSURE: 2439200 -314.761 -20.3191 28.352 -20.3191 279.111 162.014 28.3528 162.014 -143.961 GPRESSURE: 2439200 -286.91 -67.6705 99.6542 -11.6121 251.915 255.574 -81.96 71.6039 -47.5204 PRESSAVG: 2439200 5.67044 -42.1336 30.3912 -42.1335 112.729 -2.52894 30.3912 -2.52912 -95.836 GPRESSAVG: 2439200 6.11859 -40.1796 31.237 -43.0829 113.195 -1.9757 30.2919 -1.63645 -95.954 TIMING: 2439200 CPU: 7351.84, 0.00295719/step Wall: 7351.84, 0.00295719/step, 2.10354 hours remaining, 209.664062 MB of memory in use. ENERGY: 2439200 799.5404 2106.4711 1918.0844 110.1662 -205921.8546 17771.9300 0.0000 0.0000 34157.2738 -149058.3887 298.3040 -183215.6625 -148963.5861 299.6736 -59.8705 -27.5051 558228.6680 7.5210 7.7865 PRESSURE: 2439400 6.33928 -25.6728 98.3665 -25.6713 -26.8912 -38.3148 98.3639 -38.3148 352.058 GPRESSURE: 2439400 12.1335 19.1521 27.7639 -59.3819 13.983 -29.2408 77.7074 -69.096 395.553 PRESSAVG: 2439400 10.0802 5.23302 39.1137 5.23311 88.3268 -46.3253 39.1137 -46.3253 -79.4608 GPRESSAVG: 2439400 9.64799 4.14556 37.4076 5.67506 88.8985 -47.2376 40.3559 -44.9414 -79.7777 TIMING: 2439400 CPU: 7352.43, 0.00296963/step Wall: 7352.43, 0.00296963/step, 2.11223 hours remaining, 209.664062 MB of memory in use. ENERGY: 2439400 765.6772 2167.4721 1938.1444 113.4403 -206611.3841 18148.3070 0.0000 0.0000 34228.5224 -149249.8207 298.9262 -183478.3431 -149156.2903 299.3474 110.5022 140.5564 556213.8437 6.3154 6.2563 PRESSURE: 2439600 -216.944 -80.9751 -27.0557 -80.9741 152.543 53.9428 -27.0563 53.9438 -146.661 GPRESSURE: 2439600 -174.486 -45.8065 -27.3832 -1.93291 143.261 50.7577 37.7775 62.8028 -69.6692 PRESSAVG: 2439600 13.4842 -8.36785 48.8314 -8.36774 45.5931 -36.8797 48.8314 -36.8797 -30.114 GPRESSAVG: 2439600 13.7095 -8.52891 49.2653 -5.96328 44.7268 -34.7981 47.9652 -39.0697 -30.1407 TIMING: 2439600 CPU: 7353.03, 0.00299818/step Wall: 7353.03, 0.00299818/step, 2.13237 hours remaining, 209.664062 MB of memory in use. ENERGY: 2439600 723.0443 2154.6100 1945.9643 115.4705 -206168.3131 17669.5337 0.0000 0.0000 34143.7545 -149415.9358 298.1859 -183559.6904 -149316.7111 299.1567 -70.3540 -33.6314 557285.2069 9.6544 9.4319 PRESSURE: 2439800 49.2564 8.70464 -107.838 8.70498 -111.948 -106.766 -107.838 -106.766 -194.392 GPRESSURE: 2439800 44.0823 -38.4816 -156.591 25.8427 -136.396 -111.789 -99.8671 8.52528 -66.4464 PRESSAVG: 2439800 9.51159 12.6497 -23.0632 12.6497 -4.97552 -36.0985 -23.0631 -36.0985 -24.0266 GPRESSAVG: 2439800 9.50837 13.1464 -23.2456 9.28042 -4.4534 -35.9113 -23.1135 -34.4251 -24.3898 TIMING: 2439800 CPU: 7353.63, 0.00298889/step Wall: 7353.63, 0.00298889/step, 2.1256 hours remaining, 209.664062 MB of memory in use. ENERGY: 2439800 736.7985 2119.0536 1941.5768 104.7556 -206163.0696 17666.4166 0.0000 0.0000 34361.6092 -149232.8593 300.0885 -183594.4685 -149135.7239 298.9190 -85.6946 -52.9201 557670.4421 -6.4968 -6.4449 PRESSURE: 2440000 -224.719 100.879 -88.5089 100.878 -24.2068 7.14587 -88.5096 7.1456 121.353 GPRESSURE: 2440000 -117.888 82.1528 -37.6195 87.9319 -6.55663 2.75532 -104.577 63.8577 94.653 PRESSAVG: 2440000 -45.7573 -27.1973 -33.0333 -27.1972 11.0422 -40.6113 -33.0333 -40.6112 36.0887 GPRESSAVG: 2440000 -46.2203 -28.0477 -33.1632 -25.96 11.7587 -38.7392 -33.9676 -41.8381 36.6118 TIMING: 2440000 CPU: 7354.23, 0.00297516/step Wall: 7354.23, 0.00297516/step, 2.11567 hours remaining, 209.664062 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: 2440000 759.4310 2051.3637 1940.0030 115.4729 -206329.2840 17858.2608 0.0000 0.0000 34359.1631 -149245.5895 300.0671 -183604.7526 -149153.8807 298.2476 -42.5244 -9.9307 556719.7155 0.4579 0.7167 PRESSURE: 2440200 -100.036 94.3321 -71.4402 94.3307 -149.616 76.8234 -71.4394 76.8257 160.068 GPRESSURE: 2440200 -42.2686 166.238 -98.5668 77.2853 -121.983 124.557 -85.5917 -47.3462 149.118 PRESSAVG: 2440200 -7.52895 50.6605 -11.0064 50.6606 30.1912 16.2647 -11.0064 16.2647 8.82674 GPRESSAVG: 2440200 -7.81528 51.4933 -13.7241 50.2263 29.8549 13.9627 -9.02418 17.8886 8.94778 TIMING: 2440200 CPU: 7354.82, 0.00297404/step Wall: 7354.82, 0.00297404/step, 2.11471 hours remaining, 209.664062 MB of memory in use. ENERGY: 2440200 768.5971 2051.4694 1962.4140 115.0591 -206255.3699 17721.4999 0.0000 0.0000 34229.5355 -149406.7948 298.9350 -183636.3304 -149304.6309 298.9816 -29.8615 -5.0447 556650.8001 10.4963 10.3291 LDB: ============= START OF LOAD BALANCING ============== 7358.34 LDB: ============== END OF LOAD BALANCING =============== 7358.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7358.34 LDB: ============= START OF LOAD BALANCING ============== 7358.64 LDB: Largest compute 4772 load 0.030225 is 25.6% of average load 0.118045 LDB: Average compute 0.001725 is 1.5% of average load 0.118045 LDB: TIME 7358.64 LOAD: AVG 0.118045 MAX 0.20647 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.805 MB LDB: TIME 7358.64 LOAD: AVG 0.118045 MAX 0.20647 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.805 MB LDB: TIME 7358.64 LOAD: AVG 0.118045 MAX 0.20647 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.805 MB LDB: ============== END OF LOAD BALANCING =============== 7358.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7358.65 PRESSURE: 2440400 -56.041 136.498 73.4948 136.497 -48.6359 73.5883 73.4943 73.5867 -93.342 GPRESSURE: 2440400 3.5813 179.096 54.3348 101.788 -34.7786 80.3917 116.008 117.974 -68.1332 PRESSAVG: 2440400 -35.3605 69.7025 1.2399 69.7025 2.94718 -18.3708 1.23991 -18.3709 48.4516 GPRESSAVG: 2440400 -32.8916 67.8057 4.14296 70.8269 2.08435 -18.2127 -0.827087 -17.2623 47.4659 TIMING: 2440400 CPU: 7355.43, 0.00306533/step Wall: 7355.43, 0.00306533/step, 2.17945 hours remaining, 209.710938 MB of memory in use. ENERGY: 2440400 737.0850 2053.7067 1961.8418 118.5731 -206004.7384 17622.1948 0.0000 0.0000 34078.2509 -149433.0861 297.6138 -183511.3370 -149335.1514 298.7532 -66.0063 -33.1101 557895.3464 5.3461 5.5529 PRESSURE: 2440600 -198.032 -83.2017 -11.5311 -83.2011 82.6406 -62.1013 -11.5311 -62.1006 -88.8637 GPRESSURE: 2440600 -175.495 -33.7629 -12.166 -141.814 133.012 -71.0448 9.89453 -77.8937 -70.8909 PRESSAVG: 2440600 63.5956 9.74494 46.5087 9.74483 -11.9633 -11.9666 46.5086 -11.9667 -54.2553 GPRESSAVG: 2440600 62.6074 11.534 45.8927 8.1738 -11.2599 -14.1088 47.2557 -13.1521 -53.6222 TIMING: 2440600 CPU: 7356.03, 0.0030044/step Wall: 7356.03, 0.0030044/step, 2.13596 hours remaining, 209.914062 MB of memory in use. ENERGY: 2440600 727.1262 2103.7201 1931.4109 97.2194 -205906.7171 17516.4025 0.0000 0.0000 34074.5148 -149456.3233 297.5812 -183530.8380 -149360.2946 298.9019 -68.0850 -37.7915 557172.4983 -0.8743 -0.7582 PRESSURE: 2440800 118.012 -43.7845 79.6012 -43.7846 -134.725 -23.5121 79.6016 -23.512 35.3215 GPRESSURE: 2440800 148.658 -47.8216 49.2843 -80.7783 -132.111 -59.5926 99.4151 -16.8967 96.7119 PRESSAVG: 2440800 108.396 -7.11674 51.4268 -7.11668 -58.0612 -80.6317 51.4268 -80.6317 -65.8546 GPRESSAVG: 2440800 108.721 -7.8739 51.3097 -5.97503 -58.9598 -77.7419 50.0416 -83.0399 -65.1719 TIMING: 2440800 CPU: 7356.64, 0.00302356/step Wall: 7356.64, 0.00302356/step, 2.14941 hours remaining, 209.914062 MB of memory in use. ENERGY: 2440800 760.9746 2116.0376 1936.3505 104.4646 -206256.7923 17706.4961 0.0000 0.0000 34168.7986 -149463.6704 298.4046 -183632.4690 -149379.8346 298.2328 6.2029 37.7529 556519.9842 -5.1731 -5.1367 PRESSURE: 2441000 -140.622 160.132 121.447 160.133 44.6912 -178.209 121.446 -178.21 152.945 GPRESSURE: 2441000 -78.1744 152.363 56.2676 120.373 73.2439 -111.79 112.91 -183.294 159.787 PRESSAVG: 2441000 -26.2654 10.1603 8.98959 10.1603 -19.4213 -31.4961 8.9897 -31.4962 49.0802 GPRESSAVG: 2441000 -25.7135 10.0581 7.27291 10.188 -18.4867 -30.5297 10.8422 -30.636 47.9756 TIMING: 2441000 CPU: 7357.24, 0.00299027/step Wall: 7357.24, 0.00299027/step, 2.12559 hours remaining, 209.914062 MB of memory in use. ENERGY: 2441000 752.2792 2067.5453 1940.1840 117.8380 -206724.2029 17965.4038 0.0000 0.0000 34253.2932 -149627.6593 299.1425 -183880.9525 -149534.5457 298.0906 19.0046 51.6187 555668.2806 1.1312 1.2585 PRESSURE: 2441200 14.4006 -46.0059 -75.5036 -46.0064 -2.66356 8.53614 -75.5031 8.53617 -244.244 GPRESSURE: 2441200 75.5069 -60.9166 -32.654 9.8835 1.86142 -31.9168 -99.9184 -12.131 -204.137 PRESSAVG: 2441200 -6.63149 33.1004 -19.2853 33.1005 -42.6053 -22.9365 -19.2852 -22.9364 32.8424 GPRESSAVG: 2441200 -7.37006 31.6825 -17.0461 34.8669 -41.8944 -23.5188 -20.5441 -24.247 32.7093 TIMING: 2441200 CPU: 7357.83, 0.00298457/step Wall: 7357.83, 0.00298457/step, 2.12136 hours remaining, 210.117188 MB of memory in use. ENERGY: 2441200 743.5241 2034.4954 1941.0765 126.8123 -206456.4392 17932.1436 0.0000 0.0000 34019.1376 -149659.2496 297.0976 -183678.3873 -149569.3540 297.9959 -77.5021 -42.2561 559067.2759 -5.4648 -5.5184 PRESSURE: 2441400 74.8607 -93.5871 -22.3077 -93.5881 -315.541 -108.452 -22.307 -108.453 142.718 GPRESSURE: 2441400 123.171 -79.0537 -9.38119 -86.1034 -313.002 -116.91 -10.5308 -142.04 203.613 PRESSAVG: 2441400 33.8293 25.3362 -19.0239 25.3362 -48.1577 -51.2685 -19.0239 -51.2686 24.9985 GPRESSAVG: 2441400 33.5215 27.4559 -18.8086 23.6237 -48.9164 -51.9264 -18.2094 -49.1332 26.2268 TIMING: 2441400 CPU: 7358.43, 0.00297504/step Wall: 7358.43, 0.00297504/step, 2.11442 hours remaining, 210.117188 MB of memory in use. ENERGY: 2441400 762.6082 2135.1719 1943.8073 117.6978 -205916.1253 17712.6399 0.0000 0.0000 33669.3922 -149574.8079 294.0432 -183244.2001 -149480.9601 297.3031 -32.6541 4.5938 557664.3176 3.5567 3.6106 PRESSURE: 2441600 173.148 68.4054 53.9516 68.4067 -75.1619 -223.005 53.9506 -223.006 -217.79 GPRESSURE: 2441600 217.531 39.5764 104.5 127.812 -68.6511 -256.468 -1.98476 -218.458 -171.833 PRESSAVG: 2441600 21.595 21.5129 3.72183 21.5129 -20.9187 -83.4453 3.72192 -83.4452 -0.0439885 GPRESSAVG: 2441600 21.1238 20.0994 3.27645 21.4073 -19.4544 -82.7573 3.81565 -83.8317 -1.26657 TIMING: 2441600 CPU: 7359.03, 0.0029994/step Wall: 7359.03, 0.0029994/step, 2.13158 hours remaining, 210.117188 MB of memory in use. ENERGY: 2441600 768.4334 2001.3418 1933.4435 123.2911 -206451.7276 17894.7547 0.0000 0.0000 34102.8260 -149627.6371 297.8285 -183730.4631 -149530.2293 297.7569 -39.9346 -7.6511 559246.4252 0.2108 0.1343 PRESSURE: 2441800 -99.0147 87.9851 -79.3899 87.9855 -179.742 126.748 -79.3894 126.748 72.7446 GPRESSURE: 2441800 -73.4098 122.342 45.889 -16.6284 -100.47 149.579 -62.0481 45.7552 72.7423 PRESSAVG: 2441800 -15.9649 -13.0088 -11.8436 -13.0086 44.831 13.1649 -11.8436 13.1649 -2.19242 GPRESSAVG: 2441800 -14.3395 -13.622 -10.5466 -12.153 43.4665 12.7897 -11.4162 14.5598 -2.17335 TIMING: 2441800 CPU: 7359.63, 0.00298182/step Wall: 7359.63, 0.00298182/step, 2.11892 hours remaining, 210.117188 MB of memory in use. ENERGY: 2441800 751.9074 2004.2696 1950.8655 117.2359 -206194.6438 17855.0146 0.0000 0.0000 33944.1523 -149571.1985 296.4427 -183515.3508 -149479.8865 298.1877 -68.6706 -33.7126 558532.6294 8.8912 8.9845 PRESSURE: 2442000 -38.1216 24.1642 -91.9621 24.1631 -69.7215 -90.7057 -91.9636 -90.7081 -131.161 GPRESSURE: 2442000 -4.56236 -16.9246 -133.294 -65.9341 -37.8524 -94.0055 -85.7395 17.6985 -103.788 PRESSAVG: 2442000 -25.1759 -28.5151 -2.32432 -28.5151 15.6286 -23.3969 -2.32433 -23.3969 13.0117 GPRESSAVG: 2442000 -26.162 -26.4289 -5.20486 -29.7866 16.0485 -23.9289 -3.12701 -26.2458 14.5849 TIMING: 2442000 CPU: 7360.22, 0.00297222/step Wall: 7360.22, 0.00297222/step, 2.11193 hours remaining, 210.117188 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: 2442000 758.9504 2058.2709 1971.6059 107.5981 -206454.6516 17814.7429 0.0000 0.0000 34209.3976 -149534.0857 298.7592 -183743.4833 -149435.3200 298.3913 -79.6682 -48.7342 557649.8976 1.1548 1.4904 PRESSURE: 2442200 117.745 51.6918 -49.3978 51.6921 31.7457 36.7529 -49.3972 36.7533 154.632 GPRESSURE: 2442200 169.529 11.3987 -9.21112 69.0946 57.5804 146.124 -66.6079 17.4812 168.874 PRESSAVG: 2442200 -9.48897 17.9193 -9.39869 17.9194 14.3486 -51.702 -9.39877 -51.702 -10.8275 GPRESSAVG: 2442200 -9.0233 16.9086 -9.7159 19.1345 14.4146 -50.5086 -9.88582 -51.2261 -10.9087 TIMING: 2442200 CPU: 7360.81, 0.002963/step Wall: 7360.81, 0.002963/step, 2.10521 hours remaining, 210.117188 MB of memory in use. ENERGY: 2442200 740.0324 2013.9655 1915.5373 116.5131 -206743.4848 18169.3481 0.0000 0.0000 34257.8342 -149530.2542 299.1822 -183788.0884 -149435.9864 298.2444 101.3742 131.9947 557642.2443 -1.9893 -1.8392 PRESSURE: 2442400 -75.0236 27.0072 -90.4754 27.0072 -245.129 13.2706 -90.476 13.269 -433.099 GPRESSURE: 2442400 -1.23796 121.7 -37.2442 17.8444 -253.65 -2.69515 -87.3668 112.889 -410.219 PRESSAVG: 2442400 7.08766 23.5966 -27.1666 23.5966 19.3191 -31.7047 -27.1666 -31.7048 -62.3302 GPRESSAVG: 2442400 8.01281 24.5402 -27.0973 23.6397 17.9801 -31.395 -26.7865 -30.8825 -61.7317 TIMING: 2442400 CPU: 7361.41, 0.00300845/step Wall: 7361.41, 0.00300845/step, 2.13733 hours remaining, 210.117188 MB of memory in use. ENERGY: 2442400 768.7197 2046.0310 1949.9210 105.3937 -206426.4256 17702.7904 0.0000 0.0000 34232.2796 -149621.2903 298.9590 -183853.5699 -149521.4678 298.3212 -251.0837 -221.7025 558383.7929 -11.9745 -11.9129 PRESSURE: 2442600 -207.215 47.4177 79.0753 47.4184 -352.909 74.5479 79.0751 74.5471 -42.5024 GPRESSURE: 2442600 -194.784 30.5112 119.848 58.7724 -281.733 211.866 84.5502 12.0414 -17.0691 PRESSAVG: 2442600 27.5436 32.2079 -7.66032 32.2079 -22.863 -26.5825 -7.66019 -26.5825 3.85305 GPRESSAVG: 2442600 26.0646 31.0024 -6.70125 31.5548 -21.4777 -25.8372 -8.85909 -26.8805 3.52411 TIMING: 2442600 CPU: 7362.02, 0.00300847/step Wall: 7362.02, 0.00300847/step, 2.13718 hours remaining, 210.117188 MB of memory in use. ENERGY: 2442600 784.4903 2089.6712 1947.6653 110.1947 -206253.3001 17634.3970 0.0000 0.0000 34113.0818 -149573.7997 297.9180 -183686.8815 -149469.8814 297.7839 -200.8755 -164.5288 557726.5675 2.8445 2.7036 PRESSURE: 2442800 -50.1271 -40.3444 114.876 -40.3431 -65.1648 -11.0547 114.877 -11.055 -73.2563 GPRESSURE: 2442800 -18.1348 -61.8654 204.208 -21.7369 -47.7107 -42.0414 38.7311 10.7576 -8.31697 PRESSAVG: 2442800 29.3892 12.8341 -0.260942 12.8341 -71.8458 -13.45 -0.260924 -13.4499 77.9938 GPRESSAVG: 2442800 30.3409 14.2813 -0.940972 12.4278 -71.9893 -13.2526 0.118453 -12.6783 77.4311 TIMING: 2442800 CPU: 7362.62, 0.00300588/step Wall: 7362.62, 0.00300588/step, 2.13517 hours remaining, 210.117188 MB of memory in use. ENERGY: 2442800 732.1672 2072.4464 1943.7785 119.8160 -206030.2066 17590.9267 0.0000 0.0000 34197.1668 -149373.9052 298.6524 -183571.0720 -149282.3841 298.7153 -62.8494 -24.7208 556812.6193 11.8457 11.9276 PRESSURE: 2443000 -375.533 92.9778 128.505 92.9789 143.352 -128.09 128.505 -128.091 -126.996 GPRESSURE: 2443000 -347.635 68.2339 53.4716 180.936 217.24 -139.389 161.489 -49.7225 -131.81 PRESSAVG: 2443000 -22.492 -9.47482 88.7272 -9.47486 -0.671831 16.017 88.7272 16.0171 76.045 GPRESSAVG: 2443000 -22.9921 -10.7674 87.865 -9.26 -0.623919 16.5311 88.4563 14.4667 76.1691 TIMING: 2443000 CPU: 7363.21, 0.00298833/step Wall: 7363.21, 0.00298833/step, 2.12255 hours remaining, 210.117188 MB of memory in use. ENERGY: 2443000 767.0107 2150.6498 1941.2423 96.8957 -206061.8310 17689.4562 0.0000 0.0000 34376.7708 -149039.8054 300.2209 -183416.5761 -148949.9219 299.4856 -119.7257 -87.4016 556846.7160 17.6270 17.5177 PRESSURE: 2443200 237.146 8.93516 -105.393 8.93492 -58.815 -15.7857 -105.393 -15.7853 -67.7623 GPRESSURE: 2443200 265.344 0.0650383 -89.3853 39.9731 -29.3549 0.451529 -86.3375 -0.897548 -36.5514 PRESSAVG: 2443200 -2.17021 36.8688 19.9477 36.8688 1.40633 -19.6741 19.9476 -19.6742 5.38782 GPRESSAVG: 2443200 -1.87163 35.8518 22.8319 37.7963 1.77908 -21.5033 19.7319 -18.7791 4.22003 TIMING: 2443200 CPU: 7363.81, 0.00299134/step Wall: 7363.81, 0.00299134/step, 2.12452 hours remaining, 210.117188 MB of memory in use. ENERGY: 2443200 794.3256 2112.8641 1945.8793 106.7817 -206351.4497 18005.1889 0.0000 0.0000 34538.8410 -148847.5690 301.6363 -183386.4100 -148744.2239 300.2479 36.8562 66.4792 558246.1611 1.5413 1.3758 PRESSURE: 2443400 33.7937 100.399 35.0089 100.401 -4.64072 37.9239 35.0086 37.9227 81.6581 GPRESSURE: 2443400 48.2374 55.607 -35.2636 121.06 61.2801 92.3363 30.3584 -47.3539 104.534 PRESSAVG: 2443400 -42.3355 79.1407 -9.42153 79.1406 17.0132 -11.9694 -9.42159 -11.9694 0.650135 GPRESSAVG: 2443400 -42.2577 81.5737 -10.8749 77.1023 16.9236 -10.715 -9.21582 -12.3824 0.654244 TIMING: 2443400 CPU: 7364.41, 0.0030002/step Wall: 7364.41, 0.0030002/step, 2.13064 hours remaining, 210.117188 MB of memory in use. ENERGY: 2443400 763.2544 2124.4632 1930.5988 115.2999 -206036.6896 17748.2866 0.0000 0.0000 34417.8548 -148936.9319 300.5797 -183354.7868 -148847.4802 300.2030 36.9370 71.3505 556762.1266 -8.2240 -8.2266 PRESSURE: 2443600 -158.948 -23.716 128.043 -23.7164 45.2726 -45.5361 128.045 -45.5371 -53.038 GPRESSURE: 2443600 -115.473 -14.5574 58.102 -48.2872 127.49 71.0905 130.993 -101.194 -77.6573 PRESSAVG: 2443600 35.7951 33.4258 8.96246 33.4258 -23.6584 37.5867 8.96254 37.5867 -7.90096 GPRESSAVG: 2443600 36.6074 32.8455 8.98428 33.3095 -24.0966 36.5779 6.40401 38.8875 -8.29302 TIMING: 2443600 CPU: 7365.01, 0.00299678/step Wall: 7365.01, 0.00299678/step, 2.12805 hours remaining, 210.117188 MB of memory in use. ENERGY: 2443600 771.6753 2158.9867 1938.8432 123.7988 -205681.9033 17600.3440 0.0000 0.0000 34206.4985 -148881.7568 298.7339 -183088.2554 -148786.7864 300.7795 -55.5712 -21.8802 558127.6486 1.4119 1.4059 PRESSURE: 2443800 69.3551 -40.1971 -71.581 -40.1978 -171.964 57.8166 -71.5806 57.8164 68.3169 GPRESSURE: 2443800 21.8727 -74.3766 -116.445 -50.4171 -102.386 97.3256 -11.9116 72.1459 137.183 PRESSAVG: 2443800 -33.6867 41.3428 -17.9263 41.3429 31.9065 18.5152 -17.9262 18.5152 -5.31712 GPRESSAVG: 2443800 -34.5568 39.5456 -17.8869 42.6286 32.1971 17.8342 -14.8332 17.8994 -4.42445 TIMING: 2443800 CPU: 7365.61, 0.00298131/step Wall: 7365.61, 0.00298131/step, 2.1169 hours remaining, 210.117188 MB of memory in use. ENERGY: 2443800 761.0284 2072.7975 1966.5792 132.7364 -206070.5082 17742.9213 0.0000 0.0000 34443.6161 -148950.8293 300.8047 -183394.4454 -148847.2317 299.9861 -11.4307 18.8897 557186.3506 -2.3658 -2.2614 PRESSURE: 2444000 190.794 -12.7761 -174.366 -12.775 296.615 57.4717 -174.366 57.4753 194.95 GPRESSURE: 2444000 265.963 -56.2407 -186.042 -13.9752 267.598 119.013 -113.138 55.7872 243.592 PRESSAVG: 2444000 6.72755 -45.4953 -22.3765 -45.4953 -45.0571 -10.5075 -22.3765 -10.5075 52.3174 GPRESSAVG: 2444000 7.41712 -43.8507 -24.0684 -47.0125 -44.18 -10.6278 -21.5048 -10.9323 51.3017 TIMING: 2444000 CPU: 7366.21, 0.00298822/step Wall: 7366.21, 0.00298822/step, 2.12163 hours remaining, 210.117188 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: 2444000 752.2763 2095.1473 1983.0149 108.8310 -206315.3048 18082.5929 0.0000 0.0000 34261.9164 -149031.5261 299.2178 -183293.4425 -148942.2088 300.0357 227.4530 259.0509 556959.5154 4.6626 4.8463 PRESSURE: 2444200 5.93453 -165.731 65.0517 -165.731 55.237 149.281 65.0528 149.281 11.7961 GPRESSURE: 2444200 48.4858 -124.128 57.5503 -188.469 72.1464 208.898 17.144 157.193 45.0753 PRESSAVG: 2444200 42.7458 -68.018 1.03446 -68.018 -43.3177 4.25248 1.03438 4.25236 30.3724 GPRESSAVG: 2444200 42.6341 -67.3162 2.45484 -67.2361 -44.684 5.84201 -0.587988 5.23571 31.1186 TIMING: 2444200 CPU: 7366.81, 0.00300722/step Wall: 7366.81, 0.00300722/step, 2.13496 hours remaining, 210.117188 MB of memory in use. ENERGY: 2444200 744.5546 2042.4469 1982.5489 116.5436 -205845.0401 17698.8614 0.0000 0.0000 34424.2347 -148835.8499 300.6354 -183260.0846 -148741.0949 299.9904 24.3226 55.2358 557443.4431 9.9335 9.6896 LDB: ============= START OF LOAD BALANCING ============== 7370.32 LDB: ============== END OF LOAD BALANCING =============== 7370.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7370.33 LDB: ============= START OF LOAD BALANCING ============== 7370.63 LDB: Largest compute 4772 load 0.030235 is 25.6% of average load 0.118029 LDB: Average compute 0.001728 is 1.5% of average load 0.118029 LDB: TIME 7370.63 LOAD: AVG 0.118029 MAX 0.209815 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.969 MB LDB: TIME 7370.63 LOAD: AVG 0.118029 MAX 0.209815 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.969 MB LDB: TIME 7370.63 LOAD: AVG 0.118029 MAX 0.209815 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.969 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7370.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7370.64 PRESSURE: 2444400 -131.434 20.6301 7.72548 20.6318 142.322 62.3416 7.72629 62.3425 -46.6854 GPRESSURE: 2444400 -149.611 -34.8399 -35.5884 0.00727971 259.803 85.2854 45.6265 113.159 -53.6451 PRESSAVG: 2444400 4.16416 -38.4489 -2.41691 -38.4488 -21.8257 -34.6437 -2.41688 -34.6437 -19.6041 GPRESSAVG: 2444400 4.66474 -38.9739 -1.18235 -37.045 -21.7985 -36.7774 -2.81547 -34.0222 -19.8457 TIMING: 2444400 CPU: 7367.42, 0.00306193/step Wall: 7367.42, 0.00306193/step, 2.17363 hours remaining, 210.027344 MB of memory in use. ENERGY: 2444400 740.8455 2086.7025 1964.6819 113.6676 -205820.5778 17575.0797 0.0000 0.0000 34346.9600 -148992.6406 299.9605 -183339.6007 -148887.0822 300.2340 -11.9322 18.8492 558132.0120 -12.4219 -12.3265 PRESSURE: 2444600 126.712 -42.973 100.943 -42.9725 -96.428 157.009 100.943 157.009 212.889 GPRESSURE: 2444600 165.064 -123.233 67.0273 -29.2656 -42.2786 151.177 133.389 75.3599 216.677 PRESSAVG: 2444600 -33.8154 -38.9289 46.5563 -38.929 13.486 -19.1136 46.5564 -19.1136 16.6627 GPRESSAVG: 2444600 -33.9494 -39.3005 44.9377 -40.9267 12.9695 -16.9047 45.3213 -21.4156 17.4124 TIMING: 2444600 CPU: 7368.01, 0.00297234/step Wall: 7368.01, 0.00297234/step, 2.10987 hours remaining, 210.097656 MB of memory in use. ENERGY: 2444600 729.2686 2153.2831 1939.8244 112.3048 -206663.4544 17981.6282 0.0000 0.0000 34600.9184 -149146.2269 302.1784 -183747.1453 -149045.8352 299.9906 81.0576 113.1539 556339.2555 -1.2222 -1.1892 PRESSURE: 2444800 -358.143 164.749 1.12106 164.747 -85.5082 110.218 1.12061 110.219 -245.206 GPRESSURE: 2444800 -268.138 102.948 -13.9444 66.8535 -124.556 74.2399 11.4564 112.562 -194.231 PRESSAVG: 2444800 45.4742 -16.67 -10.8992 -16.6699 8.06664 -1.73064 -10.8992 -1.7306 13.0456 GPRESSAVG: 2444800 45.4012 -18.1566 -9.69673 -15.8587 7.8633 -3.06607 -8.17572 -3.14041 13.8494 TIMING: 2444800 CPU: 7368.61, 0.00299007/step Wall: 7368.61, 0.00299007/step, 2.12229 hours remaining, 210.097656 MB of memory in use. ENERGY: 2444800 764.0235 2083.2111 1949.9837 119.0996 -205759.0598 17559.7383 0.0000 0.0000 34180.7981 -149102.2055 298.5094 -183283.0036 -149008.2154 300.0359 -229.6192 -195.6418 558859.4370 22.1955 22.3713 PRESSURE: 2445000 -214.308 -9.44822 168.206 -9.44888 35.6985 68.8115 168.207 68.8109 -159.558 GPRESSURE: 2445000 -138.735 -41.1375 173.127 74.1987 79.3174 36.8851 149.457 78.205 -186.552 PRESSAVG: 2445000 -43.0988 26.6789 -25.7698 26.6789 0.438305 -0.444302 -25.7697 -0.444266 -4.88801 GPRESSAVG: 2445000 -43.7929 28.0682 -24.6616 27.1055 2.80795 2.44283 -27.234 0.752987 -6.75815 TIMING: 2445000 CPU: 7369.21, 0.00296695/step Wall: 7369.21, 0.00296695/step, 2.10571 hours remaining, 210.097656 MB of memory in use. ENERGY: 2445000 755.6579 2138.6918 1951.8895 112.8747 -206122.4113 17587.3131 0.0000 0.0000 34485.8735 -149090.1109 301.1737 -183575.9843 -148989.5020 300.0371 -112.7226 -81.9897 557270.4442 -15.8495 -15.9144 PRESSURE: 2445200 -174.533 -106.651 -101.854 -106.651 -206.156 -136.653 -101.853 -136.655 -168.804 GPRESSURE: 2445200 -160.413 -135.951 -64.9481 -142.11 -190.739 -153.431 -62.0496 -234.256 -100.824 PRESSAVG: 2445200 -31.4002 -17.4196 -31.3041 -17.4197 2.05882 -14.503 -31.3041 -14.503 -22.4066 GPRESSAVG: 2445200 -30.025 -18.12 -31.043 -18.1188 0.337221 -18.8316 -32.098 -14.118 -21.0727 TIMING: 2445200 CPU: 7369.8, 0.00298807/step Wall: 7369.8, 0.00298807/step, 2.12053 hours remaining, 210.097656 MB of memory in use. ENERGY: 2445200 746.7822 2085.0105 1983.5111 114.7349 -205896.7166 17528.5429 0.0000 0.0000 34592.7884 -148845.3465 302.1074 -183438.1349 -148750.0296 300.3234 -183.1643 -150.6585 556708.5129 -17.2493 -16.9202 PRESSURE: 2445400 168.51 -162.418 13.7034 -162.417 -25.6696 -23.1725 13.7045 -23.1729 -136.068 GPRESSURE: 2445400 146.451 -85.6662 33.4825 -208.669 -7.51288 -94.3907 -50.2536 -29.4019 -34.2129 PRESSAVG: 2445400 8.71136 -62.3929 -45.5583 -62.3929 -0.931045 -28.4084 -45.5583 -28.4085 -14.4547 GPRESSAVG: 2445400 8.11085 -61.3538 -47.6831 -62.8996 -0.102534 -28.3691 -45.9842 -28.1779 -14.9121 TIMING: 2445400 CPU: 7370.4, 0.00299113/step Wall: 7370.4, 0.00299113/step, 2.12254 hours remaining, 210.097656 MB of memory in use. ENERGY: 2445400 746.2281 2077.6039 1959.7572 129.0690 -205944.2126 17799.6385 0.0000 0.0000 34169.0023 -149062.9136 298.4064 -183231.9159 -148963.4085 300.7516 2.2575 34.9085 559086.3499 -2.2248 -2.3013 PRESSURE: 2445600 -45.3692 -52.7061 183.648 -52.7064 -13.3103 43.8138 183.647 43.8116 -4.78495 GPRESSURE: 2445600 14.4952 20.4709 182.756 -85.9996 -9.59208 25.5727 210.567 -11.8793 14.1845 PRESSAVG: 2445600 -47.6859 1.80688 -7.12 1.8068 -32.0693 -43.7157 -7.12001 -43.7158 26.11 GPRESSAVG: 2445600 -47.4287 1.57705 -6.6329 3.1204 -33.306 -40.9544 -5.52087 -43.7974 26.9282 TIMING: 2445600 CPU: 7371, 0.00300991/step Wall: 7371, 0.00300991/step, 2.1357 hours remaining, 210.097656 MB of memory in use. ENERGY: 2445600 753.2149 2141.2714 1938.3512 103.2032 -206011.1106 17712.7968 0.0000 0.0000 34538.4942 -148823.7789 301.6333 -183362.2731 -148727.5462 300.4005 -21.1548 6.3625 558093.5643 -17.8817 -17.9355 PRESSURE: 2445800 -39.8132 122.095 -16.0542 122.095 87.2155 -248.891 -16.0544 -248.89 -86.5836 GPRESSURE: 2445800 -22.5597 81.8768 -1.74434 50.9048 116.437 -232.271 -92.1449 -252.862 -43.7075 PRESSAVG: 2445800 -53.1857 46.5552 -19.2067 46.5553 -61.7903 6.38474 -19.2067 6.3848 82.5829 GPRESSAVG: 2445800 -53.0884 47.3764 -19.144 45.6701 -61.1359 6.39891 -20.1592 4.8761 82.259 TIMING: 2445800 CPU: 7371.6, 0.00297943/step Wall: 7371.6, 0.00297943/step, 2.1139 hours remaining, 210.097656 MB of memory in use. ENERGY: 2445800 732.5256 2163.0891 1969.1366 110.3404 -206152.2738 17931.3199 0.0000 0.0000 34425.4270 -148820.4352 300.6458 -183245.8622 -148726.1726 300.9365 -13.0605 16.7233 558569.0458 -10.7977 -10.6551 PRESSURE: 2446000 180.476 -17.5546 71.2647 -17.5533 79.6195 49.4889 71.2644 49.4887 121.509 GPRESSURE: 2446000 236.965 -20.9248 17.153 46.7365 102.153 53.6955 170.032 38.8577 153.032 PRESSAVG: 2446000 13.3191 -9.90134 20.0248 -9.90129 -48.8947 -30.2038 20.0248 -30.2038 16.4756 GPRESSAVG: 2446000 13.4563 -11.1736 18.339 -10.6392 -47.656 -29.3934 21.7251 -28.8491 15.7366 TIMING: 2446000 CPU: 7372.19, 0.00297221/step Wall: 7372.19, 0.00297221/step, 2.10862 hours remaining, 210.097656 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: 2446000 708.2372 2076.8760 1965.3623 106.9771 -206183.5747 17979.0127 0.0000 0.0000 34469.1391 -148877.9703 301.0276 -183347.1094 -148778.7658 300.3235 127.2014 164.0503 558933.6564 -6.3667 -6.1544 PRESSURE: 2446200 -76.7241 -63.6318 -118.275 -63.6312 -55.3909 -45.6398 -118.276 -45.6404 -1.02747 GPRESSURE: 2446200 -18.6034 -84.317 -39.1226 -6.05684 -38.7782 -39.6667 -135.95 -107.356 29.8208 PRESSAVG: 2446200 -26.9822 5.06239 -44.6609 5.06236 -18.1323 -39.2776 -44.6609 -39.2775 34.2424 GPRESSAVG: 2446200 -26.5752 3.25837 -42.7474 6.04628 -19.2808 -42.8557 -48.0947 -38.222 34.9242 TIMING: 2446200 CPU: 7372.79, 0.00299695/step Wall: 7372.79, 0.00299695/step, 2.126 hours remaining, 210.097656 MB of memory in use. ENERGY: 2446200 801.9781 2078.3884 1945.7357 111.5657 -205552.8286 17705.4947 0.0000 0.0000 34145.7772 -148763.8888 298.2036 -182909.6660 -148667.6508 300.8626 -44.3808 -9.1870 559563.5897 -3.6240 -3.6439 PRESSURE: 2446400 -157.798 -86.1013 71.203 -86.1026 24.6524 16.581 71.2037 16.5804 140.504 GPRESSURE: 2446400 -55.5399 -28.7255 69.0548 -108.387 54.9952 78.6415 3.58652 77.3496 90.8204 PRESSAVG: 2446400 -34.6094 -71.8482 52.284 -71.8482 18.2885 -10.5227 52.2841 -10.5228 24.9887 GPRESSAVG: 2446400 -33.2049 -70.7989 50.5684 -70.8999 18.1305 -8.70297 55.1638 -10.3454 23.4249 TIMING: 2446400 CPU: 7373.39, 0.00300169/step Wall: 7373.39, 0.00300169/step, 2.1292 hours remaining, 210.097656 MB of memory in use. ENERGY: 2446400 791.7258 2075.9832 1959.6624 100.9231 -206018.5274 17902.8053 0.0000 0.0000 34370.1885 -148817.2390 300.1634 -183187.4275 -148715.5608 300.1618 2.4527 30.0919 558088.5273 2.8892 2.7835 PRESSURE: 2446600 -50.2371 139.186 -64.7584 139.186 31.5786 107.77 -64.7581 107.769 -93.3625 GPRESSURE: 2446600 -63.5842 132.341 -139.932 205.043 46.0066 165.934 -30.9783 -3.1576 12.937 PRESSAVG: 2446600 -48.9639 -0.976497 18.7885 -0.976579 67.9182 29.3835 18.7885 29.3834 -30.9693 GPRESSAVG: 2446600 -49.9167 -0.329694 19.0213 -2.1971 67.426 31.5996 18.7723 27.3685 -29.0186 TIMING: 2446600 CPU: 7374, 0.00301501/step Wall: 7374, 0.00301501/step, 2.13848 hours remaining, 210.097656 MB of memory in use. ENERGY: 2446600 741.8249 2108.8298 1945.7885 102.5887 -205855.1578 17752.7596 0.0000 0.0000 34080.6281 -149122.7382 297.6346 -183203.3663 -149020.4882 300.3146 -37.3403 -1.5468 558839.1481 -4.0050 -3.8364 PRESSURE: 2446800 127.773 143.264 -1.01367 143.264 34.2248 149.767 -1.01383 149.767 56.699 GPRESSURE: 2446800 155.768 181.444 -23.2621 53.176 72.0965 147.773 44.7627 123.59 90.8734 PRESSAVG: 2446800 51.6865 49.3669 12.7693 49.3669 72.6036 -1.53484 12.7693 -1.53476 -98.4142 GPRESSAVG: 2446800 51.4144 51.8807 12.1638 48.4014 74.5668 -2.96799 12.195 -1.49381 -99.109 TIMING: 2446800 CPU: 7374.6, 0.00299556/step Wall: 7374.6, 0.00299556/step, 2.12452 hours remaining, 210.097656 MB of memory in use. ENERGY: 2446800 726.8841 2074.4842 1920.7679 120.9318 -206160.7475 17841.8576 0.0000 0.0000 34568.0349 -148907.7871 301.8912 -183475.8219 -148811.8703 299.9035 72.8991 106.2461 557458.1825 8.6253 8.9574 PRESSURE: 2447000 186.514 -111.366 14.6606 -111.369 375.925 21.7 14.6614 21.7022 -179.404 GPRESSURE: 2447000 224.128 -191.052 -12.4224 -42 382.73 12.5808 66.866 83.9629 -123.303 PRESSAVG: 2447000 -10.274 81.9163 -79.9593 81.9162 23.2838 45.389 -79.9592 45.389 -89.0334 GPRESSAVG: 2447000 -10.3456 79.3884 -79.4171 84.3283 22.3364 47.9326 -81.5619 43.9301 -88.2216 TIMING: 2447000 CPU: 7375.19, 0.00297417/step Wall: 7375.19, 0.00297417/step, 2.10918 hours remaining, 210.097656 MB of memory in use. ENERGY: 2447000 763.5097 2080.9955 1911.2621 115.7201 -206163.1535 18041.3162 0.0000 0.0000 34135.9528 -149114.3971 298.1178 -183250.3499 -149026.8138 299.6733 127.6784 161.1851 557501.0926 -25.3412 -25.4103 PRESSURE: 2447200 36.7765 44.6278 -54.4294 44.6278 105.815 -29.6515 -54.4303 -29.6526 -120.287 GPRESSURE: 2447200 132.93 69.0876 -130.562 -42.4583 69.9857 -87.707 25.2344 -92.0272 -82.19 PRESSAVG: 2447200 153.652 -36.3823 -56.1826 -36.3822 -25.1551 -36.3883 -56.1826 -36.3884 -97.1367 GPRESSAVG: 2447200 154.737 -36.4097 -57.3004 -38.4438 -25.4101 -39.2218 -53.4466 -34.1113 -98.0588 TIMING: 2447200 CPU: 7375.79, 0.00300498/step Wall: 7375.79, 0.00300498/step, 2.13087 hours remaining, 210.097656 MB of memory in use. ENERGY: 2447200 730.8483 2042.4841 1950.3390 116.1510 -206134.2137 17659.2590 0.0000 0.0000 34445.7796 -149189.3526 300.8236 -183635.1322 -149096.9332 299.2219 7.4349 40.2418 555898.1662 10.4536 10.4228 PRESSURE: 2447400 -152.447 -92.9629 -56.7968 -92.9619 -321.014 -18.7881 -56.7958 -18.7897 -138.358 GPRESSURE: 2447400 -96.5878 -81.4575 -19.5444 -88.4757 -349.87 -13.7621 -1.15751 -75.4372 -77.3293 PRESSAVG: 2447400 28.6337 46.3783 -76.5028 46.3782 1.47411 -7.35762 -76.5028 -7.35775 -9.48897 GPRESSAVG: 2447400 28.1467 47.053 -75.9319 46.1843 1.21835 -8.71215 -77.1228 -7.48209 -8.96335 TIMING: 2447400 CPU: 7376.39, 0.00296897/step Wall: 7376.39, 0.00296897/step, 2.10516 hours remaining, 210.097656 MB of memory in use. ENERGY: 2447400 785.8563 2062.6040 1932.4180 100.9071 -205872.0948 17536.2417 0.0000 0.0000 34385.6184 -149068.4492 300.2982 -183454.0676 -148968.2048 300.3001 -203.9398 -174.5958 558319.0606 6.8730 6.8006 PRESSURE: 2447600 -122.246 83.3615 -69.5493 83.3611 -306.16 45.8254 -69.5493 45.8256 29.3595 GPRESSURE: 2447600 -36.5614 19.2385 -60.5006 201.433 -282.713 53.5713 -15.7625 125.325 22.743 PRESSAVG: 2447600 -0.104865 17.3478 15.8688 17.3478 -33.1756 44.8144 15.8688 44.8144 8.11046 GPRESSAVG: 2447600 -1.2604 16.5441 16.0966 18.4015 -32.3776 46.1577 15.7004 44.3666 7.87039 TIMING: 2447600 CPU: 7376.98, 0.00297022/step Wall: 7376.98, 0.00297022/step, 2.10589 hours remaining, 210.097656 MB of memory in use. ENERGY: 2447600 751.4941 2072.8408 1970.0942 103.7545 -205987.0031 17618.2282 0.0000 0.0000 34569.4819 -148901.1094 301.9039 -183470.5913 -148795.4783 300.5777 -133.0154 -98.8438 557381.4080 -8.3900 -8.5892 PRESSURE: 2447800 224.448 137.529 -174.32 137.529 260.774 139.472 -174.319 139.474 338.444 GPRESSURE: 2447800 179.137 91.2315 -201.32 170.909 323.594 146.925 -91.029 260.511 417.85 PRESSAVG: 2447800 39.2086 0.603965 -7.70707 0.604017 -74.4199 16.066 -7.70712 16.0658 41.4727 GPRESSAVG: 2447800 40.2221 -0.126954 -7.36947 1.50679 -75.0173 17.1742 -8.52145 16.1393 41.1948 TIMING: 2447800 CPU: 7377.58, 0.00298687/step Wall: 7377.58, 0.00298687/step, 2.11752 hours remaining, 210.097656 MB of memory in use. ENERGY: 2447800 736.6049 2024.5215 1956.2828 111.6574 -206506.0512 18289.0243 0.0000 0.0000 34517.3393 -148870.6209 301.4485 -183387.9602 -148769.0535 300.4869 274.5554 306.8604 556756.7809 2.0872 2.1332 PRESSURE: 2448000 159.596 -14.7788 -8.06772 -14.779 -35.9771 16.8523 -8.06811 16.8514 -62.0838 GPRESSURE: 2448000 182.388 -12.9331 -31.7877 5.40666 -21.883 5.96009 -34.2798 37.9361 -2.67623 PRESSAVG: 2448000 13.4548 43.4364 -25.3628 43.4364 -33.704 6.17539 -25.3628 6.17528 -36.6018 GPRESSAVG: 2448000 12.0065 42.8232 -25.3821 42.935 -33.3339 6.05379 -23.575 5.45705 -35.3817 TIMING: 2448000 CPU: 7378.18, 0.00302518/step Wall: 7378.18, 0.00302518/step, 2.14452 hours remaining, 210.097656 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: 2448000 745.2266 2046.6276 1962.4611 109.0577 -205663.4005 17758.5756 0.0000 0.0000 34329.5551 -148711.8968 299.8085 -183041.4519 -148616.4313 299.9290 20.5117 52.6095 559265.3553 -18.9503 -18.9030 PRESSURE: 2448200 44.0151 -24.9545 23.7033 -24.9552 -84.8876 -5.62406 23.7031 -5.62326 -79.0395 GPRESSURE: 2448200 79.5257 19.7861 39.6247 -76.8974 -25.3517 -50.3397 128.403 29.13 -74.993 PRESSAVG: 2448200 78.3981 3.39572 -9.07607 3.39572 12.3805 -5.10512 -9.07605 -5.10514 -15.3632 GPRESSAVG: 2448200 78.8797 4.24073 -7.83564 2.69418 12.9746 -5.32281 -10.9313 -4.48544 -16.6017 TIMING: 2448200 CPU: 7378.79, 0.00305161/step Wall: 7378.79, 0.00305161/step, 2.16308 hours remaining, 210.097656 MB of memory in use. ENERGY: 2448200 761.7466 2055.3095 1954.5959 120.2791 -205737.6320 17714.2171 0.0000 0.0000 34458.6311 -148672.8527 300.9358 -183131.4838 -148579.0577 300.8480 -39.9706 -6.9397 559162.9995 25.1385 25.0842 LDB: ============= START OF LOAD BALANCING ============== 7382.31 LDB: ============== END OF LOAD BALANCING =============== 7382.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7382.31 LDB: ============= START OF LOAD BALANCING ============== 7382.62 LDB: Largest compute 4772 load 0.030865 is 26.2% of average load 0.118022 LDB: Average compute 0.001723 is 1.5% of average load 0.118022 LDB: TIME 7382.62 LOAD: AVG 0.118022 MAX 0.208088 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.918 MB LDB: TIME 7382.62 LOAD: AVG 0.118022 MAX 0.208088 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.121 MB LDB: TIME 7382.62 LOAD: AVG 0.118022 MAX 0.208088 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.121 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7382.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7382.63 PRESSURE: 2448400 86.2751 -47.061 85.7055 -47.0602 -66.7918 -62.174 85.7062 -62.1763 84.1843 GPRESSURE: 2448400 129.23 -50.5148 57.1233 -68.5477 -33.2222 -75.4204 143.668 -16.5027 113.266 PRESSAVG: 2448400 38.2316 -28.3636 57.5128 -28.3636 -46.1369 51.8921 57.5129 51.8921 37.7363 GPRESSAVG: 2448400 37.6971 -29.3883 55.0797 -27.1774 -45.4025 51.0922 57.7128 52.594 37.5119 TIMING: 2448400 CPU: 7379.41, 0.00309923/step Wall: 7379.41, 0.00309923/step, 2.19667 hours remaining, 207.917969 MB of memory in use. ENERGY: 2448400 719.9708 2121.3810 1949.7277 114.5728 -205642.5262 17683.3568 0.0000 0.0000 34331.0468 -148722.4703 299.8216 -183053.5171 -148632.5113 300.6385 34.5558 69.7580 558275.9179 9.9437 9.9355 PRESSURE: 2448600 31.0776 -26.9921 -6.79475 -26.9915 147.598 31.8817 -6.79565 31.8814 43.414 GPRESSURE: 2448600 12.0043 14.1057 10.0978 -63.5946 172.559 84.8397 5.33454 47.9937 133.14 PRESSAVG: 2448600 10.5448 11.8867 -14.7797 11.8867 -51.2643 -9.6496 -14.7797 -9.64955 -13.0908 GPRESSAVG: 2448600 12.7357 14.0902 -13.9071 10.4469 -53.4264 -7.76398 -14.824 -10.7485 -13.0965 TIMING: 2448600 CPU: 7380.01, 0.00300766/step Wall: 7380.01, 0.00300766/step, 2.1316 hours remaining, 208.121094 MB of memory in use. ENERGY: 2448600 725.0607 2096.5379 1963.3611 112.5726 -205421.0448 17594.1821 0.0000 0.0000 34379.4960 -148549.8344 300.2447 -182929.3304 -148454.7696 301.1184 74.0300 105.9013 557069.1805 -17.9368 -17.9291 PRESSURE: 2448800 -74.4182 10.5727 -13.2808 10.5728 139.636 28.8394 -13.281 28.8403 470.925 GPRESSURE: 2448800 -7.14937 48.5056 -38.8984 45.016 124.528 24.8645 96.6005 16.2226 515.168 PRESSAVG: 2448800 19.06 -17.0439 -48.3992 -17.044 -16.2225 -6.98478 -48.3991 -6.98478 8.47414 GPRESSAVG: 2448800 17.1624 -19.3155 -47.319 -15.2502 -16.5769 -8.19964 -47.4105 -6.19522 9.93676 TIMING: 2448800 CPU: 7380.62, 0.00301321/step Wall: 7380.62, 0.00301321/step, 2.13536 hours remaining, 208.121094 MB of memory in use. ENERGY: 2448800 736.4938 2116.8742 1931.7940 112.3116 -206029.3238 17983.5287 0.0000 0.0000 34544.2347 -148604.0870 301.6834 -183148.3217 -148509.1529 300.8253 178.7141 210.8488 556994.4036 3.7705 3.5074 PRESSURE: 2449000 52.6737 -14.4905 -122.632 -14.4907 62.7208 110.865 -122.632 110.864 -204.551 GPRESSURE: 2449000 58.214 3.53644 -79.9842 -30.4542 48.3974 29.6687 -151.881 109.835 -98.0665 PRESSAVG: 2449000 -24.4866 20.8064 -30.9247 20.8064 -25.83 4.72396 -30.9248 4.72395 44.7437 GPRESSAVG: 2449000 -23.6274 21.6073 -33.7805 18.7614 -25.4897 7.0593 -31.9588 4.10928 43.9648 TIMING: 2449000 CPU: 7381.22, 0.00300946/step Wall: 7381.22, 0.00300946/step, 2.13253 hours remaining, 208.121094 MB of memory in use. ENERGY: 2449000 747.9785 2172.6433 1926.0830 103.6963 -205974.9312 17864.0625 0.0000 0.0000 34395.2077 -148765.2600 300.3819 -183160.4677 -148666.8184 301.0163 -29.7187 2.8483 559433.7639 -1.8576 -1.7174 PRESSURE: 2449200 -9.756 -57.2929 -8.07332 -57.2946 -73.1275 54.3889 -8.07373 54.3895 -85.679 GPRESSURE: 2449200 29.1593 -85.1995 17.6172 -127.267 -61.9624 45.8561 -23.5659 82.817 -25.1716 PRESSAVG: 2449200 25.6293 -21.3326 -37.1951 -21.3326 -42.3179 -3.40417 -37.195 -3.40424 53.8098 GPRESSAVG: 2449200 26.4824 -21.3413 -33.8833 -20.5826 -41.6604 -5.35513 -36.5885 -3.34884 53.0051 TIMING: 2449200 CPU: 7381.82, 0.00300573/step Wall: 7381.82, 0.00300573/step, 2.12973 hours remaining, 208.121094 MB of memory in use. ENERGY: 2449200 749.3902 2139.5080 1916.2894 121.0800 -205851.7710 17766.3656 0.0000 0.0000 34333.2113 -148825.9267 299.8405 -183159.1380 -148732.8801 300.1565 -56.1875 -19.3249 559579.1808 12.3737 12.6090 PRESSURE: 2449400 -234.593 -26.9541 143.743 -26.9537 -263.743 136.669 143.743 136.668 -222.957 GPRESSURE: 2449400 -248.742 -29.8821 24.196 -54.7445 -146.935 120.711 220.406 103.021 -225.658 PRESSAVG: 2449400 -28.4137 -19.7329 -27.849 -19.733 -19.6612 9.63638 -27.849 9.63632 -1.18559 GPRESSAVG: 2449400 -28.3276 -19.4751 -30.3194 -19.0674 -19.5395 9.95574 -26.9198 8.84106 -1.9408 TIMING: 2449400 CPU: 7382.42, 0.00300735/step Wall: 7382.42, 0.00300735/step, 2.13071 hours remaining, 208.121094 MB of memory in use. ENERGY: 2449400 749.9704 2122.9249 1932.9474 110.3585 -205919.9805 17615.8215 0.0000 0.0000 34489.5338 -148898.4240 301.2057 -183387.9578 -148806.6655 301.5121 -240.4311 -207.1117 560080.5080 -16.4201 -16.6026 PRESSURE: 2449600 125.067 119.298 -28.2941 119.297 -13.3809 -70.881 -28.2943 -70.8797 -51.1639 GPRESSURE: 2449600 133.215 77.4099 -75.3705 127.235 39.4309 -56.319 -60.1377 -85.1162 -26.9289 PRESSAVG: 2449600 62.4233 15.7477 -57.8096 15.7476 -2.30154 -3.18568 -57.8095 -3.18573 -51.7953 GPRESSAVG: 2449600 61.5156 16.1195 -57.5608 15.2847 -3.19787 -4.85717 -60.6416 -0.735047 -50.216 TIMING: 2449600 CPU: 7383.02, 0.00300604/step Wall: 7383.02, 0.00300604/step, 2.12961 hours remaining, 208.121094 MB of memory in use. ENERGY: 2449600 743.9593 2131.5664 1919.1978 107.5221 -206197.2588 17937.8615 0.0000 0.0000 34462.3117 -148894.8400 300.9679 -183357.1517 -148801.0840 299.4443 20.1742 48.5722 558201.9935 2.7755 2.7006 PRESSURE: 2449800 243.786 141.525 75.4852 141.526 -143.057 -72.6281 75.4848 -72.6295 -143.368 GPRESSURE: 2449800 268.763 196.861 -8.08015 147.536 -86.5425 -125.098 166.108 -106.151 -130.74 PRESSAVG: 2449800 31.8437 -17.6521 -21.2104 -17.6521 1.40847 9.71889 -21.2104 9.71889 -13.1064 GPRESSAVG: 2449800 31.8061 -16.5063 -22.6751 -19.3677 1.77479 10.5867 -19.4403 8.50041 -13.2184 TIMING: 2449800 CPU: 7383.62, 0.00300088/step Wall: 7383.62, 0.00300088/step, 2.12579 hours remaining, 208.121094 MB of memory in use. ENERGY: 2449800 740.6585 2090.3787 1923.2317 93.1673 -206075.9836 17899.3363 0.0000 0.0000 34349.2823 -148979.9289 299.9808 -183329.2111 -148877.2642 300.2915 -14.2128 17.1603 558866.2855 6.7153 6.7875 PRESSURE: 2450000 37.6767 -29.3884 -52.7053 -29.3874 82.1803 -7.97356 -52.7051 -7.97429 259.665 GPRESSURE: 2450000 76.2019 -49.7097 -139.722 -83.5729 120.288 -23.082 -39.7499 51.4194 272.216 PRESSAVG: 2450000 16.7211 40.5582 -50.0831 40.5582 -4.62842 -35.2191 -50.0831 -35.2191 -14.6041 GPRESSAVG: 2450000 15.7384 38.7364 -49.719 42.8022 -5.13897 -34.4374 -50.1961 -36.6394 -13.4721 TIMING: 2450000 CPU: 7384.23, 0.00301943/step Wall: 7384.23, 0.00301943/step, 2.13876 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: 2450000 730.3815 2063.6937 1947.8401 118.4001 -206377.3410 18212.1040 0.0000 0.0000 34195.1283 -149109.7934 298.6346 -183304.9217 -149013.9788 299.4411 126.5073 156.2354 558323.3527 -0.8371 -0.9576 PRESSURE: 2450200 72.2252 -74.1489 214.339 -74.1496 -146.326 -5.72605 214.338 -5.72742 58.6974 GPRESSURE: 2450200 87.6158 -43.0817 152.859 -62.0143 -129.663 -57.6933 247.476 9.49255 123.549 PRESSAVG: 2450200 -0.790332 -8.02227 34.491 -8.0222 13.8474 -20.5003 34.491 -20.5002 -29.7327 GPRESSAVG: 2450200 0.0373329 -8.82999 37.0648 -8.06758 14.5525 -21.8247 34.6006 -20.0982 -31.0027 TIMING: 2450200 CPU: 7384.82, 0.00299377/step Wall: 7384.82, 0.00299377/step, 2.12042 hours remaining, 208.121094 MB of memory in use. ENERGY: 2450200 740.6484 2141.9805 1936.6399 98.7792 -205769.5554 17577.7370 0.0000 0.0000 34226.4734 -149047.2970 298.9083 -183273.7704 -148948.8569 299.0855 -5.1344 27.1674 557450.0127 -5.5585 -5.4710 PRESSURE: 2450400 -345.743 -44.3547 123.196 -44.3552 -42.4467 36.5602 123.195 36.5598 90.8355 GPRESSURE: 2450400 -284.319 -43.5487 115.366 -57.4543 -1.47409 -61.7354 135.839 -39.5735 82.9182 PRESSAVG: 2450400 -42.9729 -20.6254 42.2691 -20.6254 44.9998 -43.7138 42.2689 -43.7138 41.5975 GPRESSAVG: 2450400 -41.3724 -20.5823 40.5829 -19.3023 43.9866 -43.0345 40.9026 -45.6881 41.5341 TIMING: 2450400 CPU: 7385.42, 0.00297457/step Wall: 7385.42, 0.00297457/step, 2.10666 hours remaining, 208.121094 MB of memory in use. ENERGY: 2450400 749.4552 2108.1314 1951.2657 113.5773 -205507.1653 17522.1797 0.0000 0.0000 34240.1994 -148822.3567 299.0282 -183062.5561 -148723.8285 299.4191 -99.1179 -67.6249 558487.6837 14.5415 14.7161 PRESSURE: 2450600 -109.958 26.5258 101.611 26.5274 48.0835 77.8511 101.611 77.8506 343.451 GPRESSURE: 2450600 -108.754 16.3481 70.9714 70.4767 181.037 112.769 81.8216 56.104 307.525 PRESSAVG: 2450600 -57.8619 -66.9029 46.0904 -66.9029 -18.2429 -42.6921 46.0904 -42.6922 90.864 GPRESSAVG: 2450600 -59.6845 -67.1347 45.9177 -66.3897 -17.1732 -42.091 45.7037 -40.7643 91.4709 TIMING: 2450600 CPU: 7386.01, 0.00297173/step Wall: 7386.01, 0.00297173/step, 2.10448 hours remaining, 208.121094 MB of memory in use. ENERGY: 2450600 746.5301 2103.3823 1955.2685 106.2108 -206159.7504 17980.7853 0.0000 0.0000 34520.0163 -148747.5573 301.4719 -183267.5735 -148650.1562 300.0095 93.8588 126.6026 558236.8141 4.9198 4.8711 PRESSURE: 2450800 -442.105 28.2497 -135.425 28.2502 9.90992 -3.8504 -135.424 -3.84956 13.5142 GPRESSURE: 2450800 -382.862 47.3677 -143.53 17.0379 17.2565 13.3769 -91.7379 -27.506 48.9001 PRESSAVG: 2450800 -46.2123 27.8521 25.5215 27.8521 25.4775 28.1222 25.5215 28.1221 37.8327 GPRESSAVG: 2450800 -45.1896 29.7002 25.6009 24.9929 24.1082 28.1151 25.2363 26.944 38.2335 TIMING: 2450800 CPU: 7386.61, 0.00298039/step Wall: 7386.61, 0.00298039/step, 2.11045 hours remaining, 208.121094 MB of memory in use. ENERGY: 2450800 753.6672 2115.6306 1956.2435 112.7368 -205763.9711 17642.0048 0.0000 0.0000 34555.4506 -148628.2375 301.7813 -183183.6881 -148529.3259 300.6048 -139.5604 -105.5683 558229.9988 5.6993 5.7174 PRESSURE: 2451000 60.0089 42.4307 134.292 42.4308 54.5062 132.896 134.291 132.895 17.0671 GPRESSURE: 2451000 50.4053 45.341 154.07 81.396 96.9586 112.738 115.183 116.228 75.4247 PRESSAVG: 2451000 -45.0994 -0.252201 -3.86977 -0.252247 -51.7426 -3.06919 -3.86979 -3.06927 67.2439 GPRESSAVG: 2451000 -44.4402 -0.620436 -3.54871 1.54935 -51.1791 -3.66278 -1.89699 -2.51076 66.3596 TIMING: 2451000 CPU: 7387.21, 0.00298491/step Wall: 7387.21, 0.00298491/step, 2.11348 hours remaining, 208.121094 MB of memory in use. ENERGY: 2451000 725.9643 2095.9511 1946.0905 107.7629 -205544.9199 17625.5966 0.0000 0.0000 34550.6222 -148492.9324 301.7392 -183043.5546 -148397.8178 301.0267 43.8607 74.2629 559414.1717 -9.8660 -9.7532 PRESSURE: 2451200 182.356 -49.4178 -54.4721 -49.4169 159.58 -43.9689 -54.4716 -43.9707 -19.1532 GPRESSURE: 2451200 195.856 -67.1945 4.45133 -85.8484 241.372 -98.9468 -56.377 2.7242 -9.55083 PRESSAVG: 2451200 -22.7513 -8.25702 -25.9611 -8.25701 -43.4362 -26.592 -25.9612 -26.5919 76.5367 GPRESSAVG: 2451200 -22.8582 -8.77634 -26.3884 -8.57247 -43.4596 -27.7271 -26.5813 -25.8094 76.4935 TIMING: 2451200 CPU: 7387.81, 0.00299726/step Wall: 7387.81, 0.00299726/step, 2.12206 hours remaining, 208.121094 MB of memory in use. ENERGY: 2451200 757.0251 2097.1736 1927.1265 122.5476 -206114.1212 17980.3508 0.0000 0.0000 34458.8651 -148771.0325 300.9378 -183229.8976 -148669.6763 301.2407 107.5942 142.5591 558554.9283 3.4498 3.3919 PRESSURE: 2451400 -321.061 147.262 -91.5233 147.262 -75.3884 -8.77184 -91.5246 -8.77117 -59.3385 GPRESSURE: 2451400 -292.284 127.074 -165.093 141.908 -32.2187 -35.5602 -139.947 -14.1933 -48.8214 PRESSAVG: 2451400 -35.9867 -23.2661 -15.7397 -23.2661 51.3186 -33.8719 -15.7397 -33.8719 -9.68676 GPRESSAVG: 2451400 -36.4592 -22.4035 -14.8795 -23.8632 51.6128 -33.5292 -17.5975 -35.5891 -10.1303 TIMING: 2451400 CPU: 7388.41, 0.00302956/step Wall: 7388.41, 0.00302956/step, 2.14476 hours remaining, 208.121094 MB of memory in use. ENERGY: 2451400 773.1672 2074.1863 1938.3253 100.3557 -205487.0466 17530.4013 0.0000 0.0000 34366.4924 -148704.1184 300.1311 -183070.6109 -148612.6077 300.5716 -151.9294 -124.4415 560741.4235 1.8817 1.6744 PRESSURE: 2451600 -124.981 0.317173 -225.514 0.317479 -498.973 -166.722 -225.514 -166.721 -13.9368 GPRESSURE: 2451600 -125.153 31.4015 -220.422 -56.6455 -447.905 -179.248 -216.745 -162.443 27.8929 PRESSAVG: 2451600 -32.4509 1.10706 -16.4751 1.10695 17.0058 -20.5538 -16.4752 -20.5539 27.1029 GPRESSAVG: 2451600 -33.5648 0.271 -17.2643 1.94864 16.9457 -21.6851 -13.7393 -18.2343 29.2773 TIMING: 2451600 CPU: 7389.02, 0.00302908/step Wall: 7389.02, 0.00302908/step, 2.14425 hours remaining, 208.121094 MB of memory in use. ENERGY: 2451600 805.4790 2075.0335 1938.5032 103.9148 -205419.2615 17482.7243 0.0000 0.0000 34271.4739 -148742.1329 299.3013 -183013.6067 -148645.5254 300.2526 -212.6304 -181.7216 560080.5208 3.8859 4.2194 PRESSURE: 2451800 -70.3204 61.0485 -42.9376 61.0475 154.356 131.646 -42.9366 131.645 -229.352 GPRESSURE: 2451800 6.89241 71.4915 -30.9805 93.9084 192.758 123.656 -29.573 29.1666 -236.331 PRESSAVG: 2451800 -156.745 -43.4197 -8.67781 -43.4196 22.9604 20.8518 -8.67777 20.8519 77.9155 GPRESSAVG: 2451800 -155.094 -45.1087 -8.34158 -43.4745 22.2123 22.9883 -10.1879 19.8823 76.9628 TIMING: 2451800 CPU: 7389.63, 0.00304243/step Wall: 7389.63, 0.00304243/step, 2.15353 hours remaining, 208.121094 MB of memory in use. ENERGY: 2451800 714.7881 2114.7710 1950.4419 101.3264 -205814.8358 17646.0125 0.0000 0.0000 34477.6736 -148809.8224 301.1021 -183287.4960 -148712.1875 300.8290 -48.4388 -12.2268 558564.0485 -18.6230 -18.6395 PRESSURE: 2452000 90.6286 74.9345 139.28 74.9348 98.0283 40.3217 139.281 40.3211 62.2957 GPRESSURE: 2452000 111.381 124.538 125.561 57.5277 101.016 -39.8587 145.723 87.7671 132.356 PRESSAVG: 2452000 -27.3289 -0.846408 5.30154 -0.846373 37.2932 -9.94467 5.30155 -9.94477 23.335 GPRESSAVG: 2452000 -27.6445 1.28455 7.03831 -0.883307 37.2981 -12.0102 5.43892 -10.0814 22.9526 TIMING: 2452000 CPU: 7390.23, 0.00302284/step Wall: 7390.23, 0.00302284/step, 2.1395 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: 2452000 733.3452 2149.6610 1933.4090 112.4149 -206057.9561 17970.7257 0.0000 0.0000 34403.2143 -148755.1861 300.4518 -183158.4004 -148653.3518 300.3838 83.6509 114.9179 560123.8357 11.0997 10.8687 PRESSURE: 2452200 -46.9265 -46.3542 8.94148 -46.3549 241.025 167.686 8.94046 167.687 -110.678 GPRESSURE: 2452200 35.1008 -71.1902 0.380848 -14.4303 247.814 198.396 -40.0211 155.063 -85.8491 PRESSAVG: 2452200 -59.0367 -18.1602 38.4783 -18.1601 32.1556 -13.6669 38.4783 -13.667 32.6465 GPRESSAVG: 2452200 -58.8089 -19.6214 37.5793 -16.6369 32.1616 -13.8057 40.7829 -13.7223 32.8717 TIMING: 2452200 CPU: 7390.83, 0.00300064/step Wall: 7390.83, 0.00300064/step, 2.12362 hours remaining, 208.121094 MB of memory in use. ENERGY: 2452200 772.8832 2119.1116 1939.9600 109.9392 -205951.4400 17915.1003 0.0000 0.0000 34272.9313 -148821.5143 299.3140 -183094.4456 -148722.1727 300.5250 27.8066 65.6885 558839.2354 1.9218 2.0748 LDB: ============= START OF LOAD BALANCING ============== 7394.35 LDB: ============== END OF LOAD BALANCING =============== 7394.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7394.35 LDB: ============= START OF LOAD BALANCING ============== 7394.65 LDB: Largest compute 4772 load 0.030794 is 26.1% of average load 0.117999 LDB: Average compute 0.001725 is 1.5% of average load 0.117999 LDB: TIME 7394.65 LOAD: AVG 0.117999 MAX 0.205888 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.684 MB LDB: TIME 7394.65 LOAD: AVG 0.117999 MAX 0.205888 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.887 MB LDB: TIME 7394.65 LOAD: AVG 0.117999 MAX 0.205888 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.887 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7394.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7394.66 PRESSURE: 2452400 -172.104 116.476 -80.6752 116.477 141.279 -81.778 -80.6753 -81.7767 65.5178 GPRESSURE: 2452400 -135.66 152.73 -168.761 63.5427 167.515 51.1331 -4.42587 -238.201 109.527 PRESSAVG: 2452400 -135.862 -4.70772 -50.7652 -4.70777 26.9151 -23.8499 -50.7652 -23.8499 57.8564 GPRESSAVG: 2452400 -136.24 -4.90483 -52.199 -5.82821 27.4389 -22.7827 -50.6265 -23.594 57.6542 TIMING: 2452400 CPU: 7391.44, 0.00306257/step Wall: 7391.44, 0.00306257/step, 2.16728 hours remaining, 208.417969 MB of memory in use. ENERGY: 2452400 743.3960 2102.7119 1931.0972 122.1923 -205949.0183 17900.1075 0.0000 0.0000 34458.2924 -148691.2209 300.9328 -183149.5133 -148598.7655 300.2307 11.5643 47.1272 558848.3311 -17.0302 -17.0490 PRESSURE: 2452600 -76.401 -56.2842 31.1455 -56.2834 -76.3301 -107.322 31.1462 -107.322 -111.742 GPRESSURE: 2452600 -42.0714 -13.049 75.8367 -56.8068 -56.7581 -63.6911 -28.5372 12.0591 -68.5495 PRESSAVG: 2452600 -56.9634 -6.01104 -4.18509 -6.01106 -0.11495 -26.6915 -4.18498 -26.6916 71.6684 GPRESSAVG: 2452600 -57.3021 -4.33386 -1.98316 -7.35157 0.295266 -26.906 -7.06787 -27.1816 71.8033 TIMING: 2452600 CPU: 7392.04, 0.0029825/step Wall: 7392.04, 0.0029825/step, 2.11045 hours remaining, 208.621094 MB of memory in use. ENERGY: 2452600 717.3974 2133.4948 1944.7860 114.6365 -205591.8759 17590.3470 0.0000 0.0000 34403.5457 -148687.6686 300.4547 -183091.2143 -148589.5892 300.5500 -88.1576 -55.7930 559621.8512 4.8634 4.9322 PRESSURE: 2452800 -18.7395 -265.779 47.0133 -265.779 -85.8588 40.5822 47.0133 40.5842 189.408 GPRESSURE: 2452800 -25.2836 -236.944 56.7307 -257.073 -14.0015 -3.85765 79.4445 39.0129 210.011 PRESSAVG: 2452800 -29.8425 -12.5776 -7.78633 -12.5776 13.0473 -11.296 -7.78627 -11.2961 15.2434 GPRESSAVG: 2452800 -29.4959 -13.5154 -10.1 -12.2738 12.284 -10.375 -6.04027 -11.8463 15.3335 TIMING: 2452800 CPU: 7392.64, 0.00300746/step Wall: 7392.64, 0.00300746/step, 2.12794 hours remaining, 208.621094 MB of memory in use. ENERGY: 2452800 750.1941 2115.8275 1927.6901 113.7305 -206055.8218 17937.6211 0.0000 0.0000 34298.2320 -148912.5264 299.5350 -183210.7584 -148820.4663 300.3599 28.2700 56.9086 557753.8822 -0.5173 -0.6261 PRESSURE: 2453000 -62.9107 -51.7585 87.7751 -51.7579 -512.985 146.359 87.7754 146.359 -426.647 GPRESSURE: 2453000 -31.0192 -4.49276 16.9182 -126.667 -480.75 121.9 122.92 111.684 -386.501 PRESSAVG: 2453000 -9.91589 12.3452 18.0228 12.3452 -30.4432 53.8185 18.0228 53.8185 72.7089 GPRESSAVG: 2453000 -9.4163 13.5095 19.1368 12.6886 -30.7444 51.8623 15.4092 55.1511 71.8052 TIMING: 2453000 CPU: 7393.24, 0.00300048/step Wall: 7393.24, 0.00300048/step, 2.12284 hours remaining, 208.621094 MB of memory in use. ENERGY: 2453000 743.8736 2108.3441 1941.5128 113.9262 -205560.5932 17315.3937 0.0000 0.0000 34464.8612 -148872.6817 300.9902 -183337.5429 -148766.7566 300.6501 -334.1811 -299.4233 558574.8668 10.7833 10.5482 PRESSURE: 2453200 -48.2696 -34.7796 37.1466 -34.7785 106.46 -66.3512 37.1463 -66.3528 -127.978 GPRESSURE: 2453200 -31.9264 -124.257 -66.336 -54.8307 112.801 -30.9208 56.0628 -28.2443 -63.7952 PRESSAVG: 2453200 1.1691 -27.3847 24.9415 -27.3848 -31.8507 -15.504 24.9416 -15.5039 -5.97726 GPRESSAVG: 2453200 0.655407 -30.7602 24.6315 -27.1792 -32.1457 -13.5114 28.4525 -16.6339 -5.91622 TIMING: 2453200 CPU: 7393.84, 0.00299555/step Wall: 7393.84, 0.00299555/step, 2.11919 hours remaining, 208.621094 MB of memory in use. ENERGY: 2453200 770.7452 2118.8448 1925.0795 125.0053 -205821.6290 17796.4344 0.0000 0.0000 34204.8991 -148880.6206 298.7199 -183085.5198 -148786.6349 299.7103 -23.2623 5.6930 558033.0130 -12.2196 -12.4688 PRESSURE: 2453400 -186.946 -37.5173 53.5041 -37.5182 -447.912 -79.6303 53.503 -79.6306 -33.2853 GPRESSURE: 2453400 -181.58 30.2255 -26.6731 -37.976 -409.866 -98.6219 185.325 -59.7006 10.4951 PRESSAVG: 2453400 33.0057 -35.8535 6.47243 -35.8535 -36.2654 -1.4533 6.4725 -1.45338 42.804 GPRESSAVG: 2453400 33.9623 -33.6483 6.27393 -36.1394 -36.7112 -0.0874526 3.45991 -0.989873 42.6854 TIMING: 2453400 CPU: 7394.44, 0.00299633/step Wall: 7394.44, 0.00299633/step, 2.11957 hours remaining, 208.621094 MB of memory in use. ENERGY: 2453400 715.0123 2118.7689 1961.0342 125.9721 -205679.0352 17353.9526 0.0000 0.0000 34417.6093 -148986.6858 300.5775 -183404.2951 -148889.4118 299.9163 -222.7146 -193.6502 557274.0671 13.1814 13.3122 PRESSURE: 2453600 -299.461 84.4434 34.9669 84.4434 -49.789 -64.3053 34.9664 -64.3046 -140.974 GPRESSURE: 2453600 -208.441 175.774 30.1625 -39.5782 -65.8654 -96.1803 -34.4764 -21.049 -119.552 PRESSAVG: 2453600 -72.8424 -5.11251 5.43334 -5.11245 -9.47823 43.1388 5.43324 43.1388 143.713 GPRESSAVG: 2453600 -71.635 -4.92175 7.04752 -6.50407 -9.77279 41.4392 5.49261 44.9002 142.916 TIMING: 2453600 CPU: 7395.04, 0.00299491/step Wall: 7395.04, 0.00299491/step, 2.1184 hours remaining, 208.621094 MB of memory in use. ENERGY: 2453600 763.5758 2123.0521 1935.4221 117.0175 -205748.7567 17471.5428 0.0000 0.0000 34192.6300 -149145.5165 298.6127 -183338.1465 -149048.8168 299.2795 -163.4080 -131.2863 556775.7155 20.4641 20.5027 PRESSURE: 2453800 -290.625 74.9012 30.0437 74.9013 -212.99 -66.6049 30.043 -66.6051 -252.975 GPRESSURE: 2453800 -251.982 -7.16493 15.5982 134.828 -166.189 -166.503 53.1816 1.82683 -237.698 PRESSAVG: 2453800 -40.4616 32.5014 -72.9246 32.5013 -5.19158 -19.9674 -72.9246 -19.9674 64.5928 GPRESSAVG: 2453800 -42.9885 32.2595 -75.4683 35.183 -3.29318 -19.981 -70.6193 -19.72 64.6129 TIMING: 2453800 CPU: 7395.64, 0.00300522/step Wall: 7395.64, 0.00300522/step, 2.12553 hours remaining, 208.621094 MB of memory in use. ENERGY: 2453800 757.2026 2105.1240 1926.6642 107.7352 -206002.9876 17475.2207 0.0000 0.0000 34343.6476 -149287.3933 299.9316 -183631.0409 -149192.1992 299.2264 -252.1967 -218.6233 557224.0113 6.3132 6.1104 PRESSURE: 2454000 -43.6335 -25.3827 -56.4996 -25.3821 -47.5168 -221.314 -56.5009 -221.314 -97.7785 GPRESSURE: 2454000 -17.6808 91.0205 -73.8767 -44.3696 -5.48488 -232.836 -89.8321 -196.717 -72.8429 PRESSAVG: 2454000 -9.25267 17.5925 11.5943 17.5924 17.3977 -31.7944 11.5943 -31.7943 16.1389 GPRESSAVG: 2454000 -7.74707 16.699 12.0335 16.6262 16.6684 -30.1608 11.4639 -33.1377 15.2031 TIMING: 2454000 CPU: 7396.24, 0.00300168/step Wall: 7396.24, 0.00300168/step, 2.12286 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: 2454000 758.7451 2089.9547 1907.6663 111.2642 -205868.8753 17598.2870 0.0000 0.0000 33999.3240 -149403.6341 296.9246 -183402.9581 -149306.0988 299.5363 -62.9763 -32.0029 557731.3975 8.0946 8.0415 PRESSURE: 2454200 -100.965 13.096 -159.417 13.0959 -125.119 -13.4073 -159.418 -13.4064 -108.986 GPRESSURE: 2454200 -80.9923 -72.587 -166.674 65.4633 -49.9131 4.13131 -153.675 -48.6612 -124.789 PRESSAVG: 2454200 1.61889 -31.7041 -35.288 -31.7041 62.6433 -50.9029 -35.2879 -50.9029 -62.7581 GPRESSAVG: 2454200 0.869624 -33.1186 -34.923 -30.8973 62.1839 -53.1659 -36.7439 -51.6986 -61.3257 TIMING: 2454200 CPU: 7396.85, 0.00302182/step Wall: 7396.85, 0.00302182/step, 2.13693 hours remaining, 208.621094 MB of memory in use. ENERGY: 2454200 741.3693 2102.2994 1913.8151 123.4500 -205993.2720 17621.6575 0.0000 0.0000 34083.0244 -149407.6562 297.6555 -183490.6807 -149308.5705 297.7577 -111.6899 -85.2314 556643.0526 0.5014 0.5759 PRESSURE: 2454400 -269.304 -83.0956 -55.1553 -83.0945 -392.21 65.1411 -55.1548 65.139 -470.282 GPRESSURE: 2454400 -227.794 -50.8999 -66.7122 -71.4167 -410.482 29.8003 -49.2826 71.7694 -397.438 PRESSAVG: 2454400 18.398 -47.4714 19.6493 -47.4714 -53.1944 29.4636 19.6494 29.4636 29.6946 GPRESSAVG: 2454400 17.9105 -42.3249 20.6871 -49.1757 -53.3071 31.6462 17.7146 29.3679 29.4662 TIMING: 2454400 CPU: 7397.44, 0.00299121/step Wall: 7397.44, 0.00299121/step, 2.11511 hours remaining, 208.621094 MB of memory in use. ENERGY: 2454400 767.2752 2081.8665 1941.3337 104.6708 -205873.8784 17286.9350 0.0000 0.0000 34206.2025 -149485.5948 298.7313 -183691.7973 -149390.3753 298.4251 -377.2653 -345.2378 557593.7611 -1.7006 -1.9768 PRESSURE: 2454600 -85.2542 15.8287 -63.3232 15.8296 -33.7253 -167.406 -63.3236 -167.407 -70.6349 GPRESSURE: 2454600 -51.7656 127.83 -93.855 -86.5457 39.1496 -106.341 -69.6386 -191.522 -80.4676 PRESSAVG: 2454600 -23.0955 -37.4475 -41.3224 -37.4475 10.095 -6.83443 -41.3223 -6.83445 -5.46023 GPRESSAVG: 2454600 -22.3345 -39.7255 -42.5046 -36.3552 8.40418 -7.44398 -39.7658 -5.86856 -4.53808 TIMING: 2454600 CPU: 7398.04, 0.00299569/step Wall: 7398.04, 0.00299569/step, 2.11812 hours remaining, 208.621094 MB of memory in use. ENERGY: 2454600 722.0169 2056.3511 1956.3102 102.3198 -206157.5795 17658.7790 0.0000 0.0000 34316.0910 -149345.7115 299.6910 -183661.8025 -149259.2194 298.8724 -63.2048 -31.0279 557862.0647 -6.1536 -6.1561 PRESSURE: 2454800 121.537 -34.208 -209.904 -34.2074 -69.7677 -119.777 -209.903 -119.776 19.9415 GPRESSURE: 2454800 179.424 -90.8044 -219.799 -3.38658 -63.815 -192.295 -204.583 -83.754 58.2937 PRESSAVG: 2454800 62.9378 43.7179 -26.2059 43.7177 11.0119 -85.9627 -26.206 -85.9626 -35 GPRESSAVG: 2454800 62.2598 40.8879 -27.3278 44.6376 13.4369 -86.0656 -23.8823 -85.1112 -36.5473 TIMING: 2454800 CPU: 7398.64, 0.00300579/step Wall: 7398.64, 0.00300579/step, 2.12509 hours remaining, 208.621094 MB of memory in use. ENERGY: 2454800 733.7009 2087.2750 1938.7196 112.0263 -206487.9355 18045.9199 0.0000 0.0000 34187.5536 -149382.7402 298.5684 -183570.2937 -149294.0814 298.9271 23.9037 57.9675 557099.5249 12.9832 13.0498 PRESSURE: 2455000 23.2908 33.3977 98.5993 33.3975 13.0776 58.0665 98.5994 58.0641 -301.759 GPRESSURE: 2455000 -9.66421 32.9124 -40.884 -12.7592 53.8251 91.213 123.039 72.8454 -220.05 PRESSAVG: 2455000 46.4758 7.99912 -10.7016 7.99916 1.28968 -1.25724 -10.7016 -1.25728 -31.0834 GPRESSAVG: 2455000 45.7406 10.259 -9.44124 9.05979 0.861537 -1.23522 -11.1956 -1.13565 -29.9941 TIMING: 2455000 CPU: 7399.24, 0.00298783/step Wall: 7399.24, 0.00298783/step, 2.11223 hours remaining, 208.621094 MB of memory in use. ENERGY: 2455000 720.4442 2125.6170 1925.5604 108.4868 -205526.8858 17391.4066 0.0000 0.0000 34227.0156 -149028.3552 298.9130 -183255.3708 -148936.7511 299.1237 -88.4635 -58.6297 557623.9900 5.5607 5.5360 PRESSURE: 2455200 -77.8108 41.9208 -50.4203 41.921 -282.118 -205.588 -50.4201 -205.588 -20.0903 GPRESSURE: 2455200 -20.4806 -55.8213 -101.834 83.399 -271.388 -230.956 -5.58756 -167.644 -6.29739 PRESSAVG: 2455200 55.592 -21.717 -38.9102 -21.717 41.6947 25.6155 -38.9101 25.6154 -47.406 GPRESSAVG: 2455200 55.9208 -20.2309 -41.8188 -24.5744 41.2315 26.2925 -38.5204 24.7051 -47.0594 TIMING: 2455200 CPU: 7399.84, 0.00297813/step Wall: 7399.84, 0.00297813/step, 2.10521 hours remaining, 208.621094 MB of memory in use. ENERGY: 2455200 753.4856 2081.5976 1959.4059 107.7572 -205994.4678 17685.2966 0.0000 0.0000 34218.5612 -149188.3638 298.8392 -183406.9250 -149094.9541 299.5508 -126.6732 -99.3887 558396.4487 16.6269 16.6976 PRESSURE: 2455400 -123.466 118.547 -23.2469 118.549 -90.6239 259.076 -23.2478 259.077 -317.568 GPRESSURE: 2455400 -63.5964 176.253 4.71727 95.3295 -31.7567 253.676 30.3056 205.927 -333.196 PRESSAVG: 2455400 -5.48153 53.2046 23.2877 53.2045 19.4327 3.7867 23.2877 3.78671 -19.9938 GPRESSAVG: 2455400 -4.90092 52.5948 25.4712 53.8259 18.3693 2.09141 21.5087 5.20828 -19.334 TIMING: 2455400 CPU: 7400.44, 0.00302932/step Wall: 7400.44, 0.00302932/step, 2.14123 hours remaining, 208.621094 MB of memory in use. ENERGY: 2455400 742.2133 2080.7809 1937.5010 112.3219 -205979.9147 17482.2757 0.0000 0.0000 34362.3663 -149262.4557 300.0951 -183624.8219 -149167.6502 299.0332 -177.2193 -142.8497 558574.3484 -2.0142 -1.9552 PRESSURE: 2455600 -100.637 -57.8151 40.4847 -57.8132 241.977 -99.1462 40.4858 -99.1468 -59.044 GPRESSURE: 2455600 -116.775 -17.2213 25.2701 -139.414 297.653 -68.5992 -14.2304 -67.9431 -0.559736 PRESSAVG: 2455600 -8.2696 33.1651 19.8057 33.1651 -14.3597 22.0351 19.8057 22.0351 15.9229 GPRESSAVG: 2455600 -8.22793 33.7017 17.1151 33.1587 -12.9422 22.0859 21.0554 21.6348 14.5237 TIMING: 2455600 CPU: 7401.04, 0.00299425/step Wall: 7401.04, 0.00299425/step, 2.11627 hours remaining, 208.621094 MB of memory in use. ENERGY: 2455600 751.9862 2018.4605 1948.4348 121.1324 -206319.5041 17860.1044 0.0000 0.0000 34165.6598 -149453.7259 298.3772 -183619.3858 -149357.1127 298.9041 27.4319 60.1061 557695.2786 -2.2355 -2.2155 PRESSURE: 2455800 276.429 82.201 0.5551 82.2015 11.7405 45.8776 0.554762 45.8765 192.835 GPRESSURE: 2455800 313.129 67.2845 5.78763 115.455 26.8579 66.2282 78.1724 73.4708 230.304 PRESSAVG: 2455800 89.4922 67.5025 67.2008 67.5024 -8.82376 36.6321 67.2008 36.6321 -36.6589 GPRESSAVG: 2455800 88.4956 64.1189 68.7852 69.0007 -7.78914 36.4954 66.0781 37.9727 -35.981 TIMING: 2455800 CPU: 7401.64, 0.00298912/step Wall: 7401.64, 0.00298912/step, 2.11247 hours remaining, 208.621094 MB of memory in use. ENERGY: 2455800 722.2154 2064.8665 1970.0878 126.6209 -206669.3618 18314.9769 0.0000 0.0000 34148.3791 -149322.2152 298.2263 -183470.5943 -149226.6161 298.5723 160.3348 190.0969 560503.6735 14.6699 14.9085 PRESSURE: 2456000 -18.8949 121.532 -10.2536 121.532 -85.5299 -104.199 -10.2544 -104.199 -173.688 GPRESSURE: 2456000 98.9209 73.9909 -90.6153 146.667 -114.937 -146.898 19.7925 -99.9064 -165.585 PRESSAVG: 2456000 18.7092 57.125 0.254855 57.125 -15.8148 16.0367 0.254715 16.0368 -29.4697 GPRESSAVG: 2456000 19.3778 60.0273 1.126 56.3784 -16.133 18.8989 3.17137 12.525 -30.0874 TIMING: 2456000 CPU: 7402.24, 0.00298863/step Wall: 7402.24, 0.00298863/step, 2.11197 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: 2456000 744.6321 2035.2281 1941.8306 109.7060 -206522.9188 17989.5263 0.0000 0.0000 34230.3098 -149471.6860 298.9418 -183701.9958 -149379.8178 297.8755 -92.7042 -60.5337 559507.9227 -8.8585 -8.9475 PRESSURE: 2456200 -279.979 -9.58208 -102.933 -9.58176 -66.2178 -76.2784 -102.932 -76.2766 190.194 GPRESSURE: 2456200 -196.838 92.3388 -171.723 -55.6483 -65.6879 -81.9765 -73.6967 -33.4862 209.683 PRESSAVG: 2456200 -14.8449 -18.9258 -47.1286 -18.9258 -59.3048 -16.033 -47.1286 -16.0331 66.8106 GPRESSAVG: 2456200 -15.1837 -20.1556 -50.0702 -19.6429 -60.0698 -19.0939 -47.8347 -11.1993 68.2207 TIMING: 2456200 CPU: 7402.83, 0.00298752/step Wall: 7402.83, 0.00298752/step, 2.11102 hours remaining, 208.621094 MB of memory in use. ENERGY: 2456200 735.8392 2019.4858 1957.6226 117.3513 -206371.9921 17900.4695 0.0000 0.0000 34203.7240 -149437.4997 298.7096 -183641.2237 -149340.2918 298.4272 -52.0011 -17.6142 557502.6541 -2.4464 -2.3443 LDB: ============= START OF LOAD BALANCING ============== 7406.35 LDB: ============== END OF LOAD BALANCING =============== 7406.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7406.36 LDB: ============= START OF LOAD BALANCING ============== 7406.66 LDB: Largest compute 4800 load 0.029537 is 25.0% of average load 0.118090 LDB: Average compute 0.001730 is 1.5% of average load 0.118090 LDB: TIME 7406.66 LOAD: AVG 0.11809 MAX 0.207763 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.031 MB LDB: TIME 7406.66 LOAD: AVG 0.11809 MAX 0.207763 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.102 MB LDB: TIME 7406.66 LOAD: AVG 0.11809 MAX 0.207763 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.102 MB LDB: ============== END OF LOAD BALANCING =============== 7406.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7406.67 PRESSURE: 2456400 54.9465 27.0166 -66.9963 27.0178 -159.176 -40.1673 -66.9949 -40.1667 -123.671 GPRESSURE: 2456400 40.867 85.7044 -37.5753 95.3575 -150.197 -67.0418 -88.3052 14.0405 -30.4907 PRESSAVG: 2456400 -2.02524 -65.3912 -25.9581 -65.3913 -50.0659 -9.83762 -25.9581 -9.83757 32.7906 GPRESSAVG: 2456400 -1.22801 -65.1917 -23.061 -64.317 -49.8237 -9.25369 -29.1669 -11.8369 32.0505 TIMING: 2456400 CPU: 7403.45, 0.00307949/step Wall: 7403.45, 0.00307949/step, 2.17583 hours remaining, 211.312500 MB of memory in use. ENERGY: 2456400 768.8303 2050.9842 1931.0837 121.9848 -206102.3071 17634.4377 0.0000 0.0000 34186.4345 -149408.5520 298.5586 -183594.9865 -149315.7171 298.7806 -75.9668 -46.6071 556987.4785 -6.4335 -6.3337 PRESSURE: 2456600 181.236 -78.9255 127.588 -78.9256 74.0044 20.4914 127.588 20.49 -16.6243 GPRESSURE: 2456600 246.081 -36.0603 76.8435 -131.076 51.8432 8.15124 103.144 -36.6312 30.2441 PRESSAVG: 2456600 96.1297 -7.37426 57.2119 -7.3742 -108.296 -34.5045 57.2119 -34.5044 -25.2835 GPRESSAVG: 2456600 96.8602 -5.75839 55.7855 -8.27096 -109.184 -32.5328 57.0485 -36.2278 -25.2465 TIMING: 2456600 CPU: 7404.05, 0.00299561/step Wall: 7404.05, 0.00299561/step, 2.1164 hours remaining, 211.312500 MB of memory in use. ENERGY: 2456600 733.3890 2126.4123 1934.9925 115.9886 -206283.3962 17948.2432 0.0000 0.0000 33979.1711 -149445.1996 296.7486 -183424.3707 -149337.0354 298.0720 79.5387 109.3895 557808.2109 -12.4834 -12.5235 PRESSURE: 2456800 -20.4256 -116.685 47.6486 -116.686 -370.069 23.405 47.6485 23.4045 -186.657 GPRESSURE: 2456800 -31.8981 -138.964 0.0626758 -149.224 -317.225 -36.7841 139.601 20.3842 -124.727 PRESSAVG: 2456800 -3.77551 -52.2772 -38.8527 -52.2772 4.61573 -3.77978 -38.8527 -3.77984 20.6936 GPRESSAVG: 2456800 -3.56349 -51.2926 -37.6685 -53.7613 5.449 -3.85951 -37.0575 -4.46069 20.3401 TIMING: 2456800 CPU: 7404.65, 0.0029843/step Wall: 7404.65, 0.0029843/step, 2.10824 hours remaining, 211.312500 MB of memory in use. ENERGY: 2456800 773.3708 2083.4050 1910.3669 106.1863 -206238.0173 17688.1490 0.0000 0.0000 34432.7597 -149243.7796 300.7099 -183676.5393 -149145.4097 298.7101 -192.3840 -157.9500 557765.7296 7.1779 7.4085 PRESSURE: 2457000 117.164 152.253 63.4809 152.253 -51.4357 -53.7061 63.4818 -53.7055 129.777 GPRESSURE: 2457000 146.954 143.237 106.126 142.786 -11.1864 38.587 104.605 25.9743 145.428 PRESSAVG: 2457000 -9.49209 -28.9027 39.4835 -28.9027 -31.8726 32.4174 39.4837 32.4175 -21.6063 GPRESSAVG: 2457000 -10.9469 -29.9309 39.834 -27.864 -32.1016 31.0208 39.3989 34.4428 -20.2899 TIMING: 2457000 CPU: 7405.25, 0.00299845/step Wall: 7405.25, 0.00299845/step, 2.11807 hours remaining, 211.312500 MB of memory in use. ENERGY: 2457000 755.9611 2087.5195 1941.1379 103.4588 -206299.7516 17981.0020 0.0000 0.0000 34273.9048 -149156.7676 299.3225 -183430.6724 -149065.2397 299.2192 65.1683 93.7316 557580.0171 -20.9903 -21.1128 PRESSURE: 2457200 -280.614 29.5925 -161.661 29.5931 48.7646 -185.073 -161.662 -185.073 -2.49891 GPRESSURE: 2457200 -223.477 -4.11413 -94.5612 36.7977 88.9695 -145.823 -152.128 -147.381 4.11983 PRESSAVG: 2457200 0.309131 46.7457 -38.5371 46.7457 -15.7498 15.54 -38.537 15.5401 -3.62313 GPRESSAVG: 2457200 1.39806 46.6532 -39.6184 48.6851 -16.0814 15.2867 -39.5183 15.4954 -4.78357 TIMING: 2457200 CPU: 7405.84, 0.00296914/step Wall: 7405.84, 0.00296914/step, 2.0972 hours remaining, 211.312500 MB of memory in use. ENERGY: 2457200 711.9759 2164.3994 1938.6491 110.5509 -206086.2344 17466.5988 0.0000 0.0000 34388.8161 -149305.2442 300.3261 -183694.0603 -149219.0674 299.7984 -78.1162 -43.4625 556569.8929 -6.3546 -6.4890 PRESSURE: 2457400 -40.1065 110.306 -139.265 110.306 22.806 -49.8833 -139.266 -49.8842 336.531 GPRESSURE: 2457400 5.0073 97.8382 -209.467 90.0021 79.852 -9.69473 -174.329 5.00215 338.098 PRESSAVG: 2457400 -33.0781 38.6252 -17.3265 38.6251 40.6397 14.6533 -17.3265 14.6534 -23.9442 GPRESSAVG: 2457400 -33.5996 38.1683 -16.6424 37.603 40.7359 16.5928 -18.2441 14.1984 -23.5199 TIMING: 2457400 CPU: 7406.44, 0.00299222/step Wall: 7406.44, 0.00299222/step, 2.11334 hours remaining, 211.605469 MB of memory in use. ENERGY: 2457400 766.9743 2089.2540 1944.2207 104.2082 -206076.1591 17819.4118 0.0000 0.0000 34296.4814 -149055.6088 299.5197 -183352.0902 -148964.9685 299.9089 106.4101 140.9859 556052.8791 -5.4609 -5.4612 PRESSURE: 2457600 122.423 124.321 50.5694 124.321 -73.6026 -88.9497 50.5693 -88.9505 -73.4335 GPRESSURE: 2457600 120.712 158.672 -12.8189 0.357975 -20.2401 -64.7149 170.885 -80.905 -18.406 PRESSAVG: 2457600 -7.97193 61.5299 -59.6466 61.5299 11.0256 54.0519 -59.6467 54.052 8.70659 GPRESSAVG: 2457600 -8.15019 61.3702 -60.5175 60.7466 11.0312 50.8389 -58.5963 54.9139 8.93029 TIMING: 2457600 CPU: 7407.04, 0.00300193/step Wall: 7407.04, 0.00300193/step, 2.12003 hours remaining, 211.808594 MB of memory in use. ENERGY: 2457600 740.1615 2099.4765 1907.5654 108.5872 -206247.4184 17941.1636 0.0000 0.0000 34281.0148 -149169.4494 299.3846 -183450.4642 -149075.7894 300.0096 -8.2043 27.3554 558143.8683 3.9201 3.9371 PRESSURE: 2457800 -186.287 -88.0046 -6.83906 -88.0047 -2.54418 -49.1354 -6.8397 -49.1343 157.402 GPRESSURE: 2457800 -176.901 -136.467 6.67978 -70.0748 -13.9111 -14.7677 -39.4327 -43.7917 245.51 PRESSAVG: 2457800 -79.4191 39.1018 16.2948 39.1018 24.2935 -7.88515 16.2948 -7.88512 70.7075 GPRESSAVG: 2457800 -78.9153 39.9995 17.4411 38.7452 23.1087 -5.97508 16.5978 -8.96846 70.6777 TIMING: 2457800 CPU: 7407.64, 0.00300279/step Wall: 7407.64, 0.00300279/step, 2.12047 hours remaining, 211.808594 MB of memory in use. ENERGY: 2457800 746.2753 2032.6401 1957.9204 111.2934 -206140.0544 17829.0229 0.0000 0.0000 34316.5379 -149146.3645 299.6949 -183462.9023 -149054.4332 299.2595 -10.4765 18.2324 558242.7153 5.1940 4.9570 PRESSURE: 2458000 -42.2636 87.6772 152.346 87.6768 112.556 -66.6142 152.346 -66.6131 -99.9145 GPRESSURE: 2458000 -31.1834 67.3658 218.358 97.7861 147.09 -96.6009 102.311 -6.54956 -61.8584 PRESSAVG: 2458000 -30.5948 34.1474 -33.8853 34.1474 19.4872 -7.26704 -33.8852 -7.26692 -6.06469 GPRESSAVG: 2458000 -30.6245 31.9867 -35.295 33.9467 19.4083 -7.61118 -35.2237 -5.77554 -5.60544 TIMING: 2458000 CPU: 7408.24, 0.00298691/step Wall: 7408.24, 0.00298691/step, 2.10909 hours remaining, 211.808594 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: 2458000 758.2993 2137.3242 1949.0231 109.9903 -205911.4241 17798.9786 0.0000 0.0000 34205.3791 -148952.4296 298.7241 -183157.8086 -148860.5463 299.9131 -9.8740 18.0161 557394.0530 -5.7241 -5.6072 PRESSURE: 2458200 49.5296 -67.5578 59.5384 -67.5586 -314.916 168.515 59.54 168.516 151.917 GPRESSURE: 2458200 127.118 -51.0702 130.797 -18.0175 -230.961 221.383 19.1693 57.4585 80.9147 PRESSAVG: 2458200 62.8161 -2.01473 -51.5379 -2.01472 -3.10517 -52.2827 -51.5378 -52.2827 -30.0835 GPRESSAVG: 2458200 62.8876 0.640165 -52.0695 0.616424 -2.46453 -53.8913 -48.873 -54.3096 -31.0359 TIMING: 2458200 CPU: 7408.84, 0.0029992/step Wall: 7408.84, 0.0029992/step, 2.1176 hours remaining, 211.808594 MB of memory in use. ENERGY: 2458200 726.7926 2129.0777 1954.4259 102.3934 -206009.6869 17774.1981 0.0000 0.0000 34349.6665 -148973.1326 299.9842 -183322.7991 -148881.8996 299.8252 -37.8229 -7.6427 558265.5226 9.8758 9.7957 PRESSURE: 2458400 119.79 -119.061 -101.068 -119.06 -374.554 43.862 -101.068 43.861 -86.2081 GPRESSURE: 2458400 99.4742 -119.78 -37.5387 -157.3 -319.643 83.1048 -141.148 23.7039 -27.7947 PRESSAVG: 2458400 88.6597 -26.2419 23.2496 -26.2419 -133.532 22.1742 23.2495 22.1742 40.3379 GPRESSAVG: 2458400 88.5153 -28.7918 25.1317 -27.018 -133.384 22.9158 20.8601 23.0334 40.3436 TIMING: 2458400 CPU: 7409.44, 0.00300172/step Wall: 7409.44, 0.00300172/step, 2.11921 hours remaining, 211.808594 MB of memory in use. ENERGY: 2458400 750.2418 2047.8982 1964.9092 112.6105 -206002.8418 17727.6440 0.0000 0.0000 34356.0108 -149043.5274 300.0396 -183399.5382 -148950.7302 300.4598 -113.6575 -82.6546 558487.1073 -1.5114 -1.5085 PRESSURE: 2458600 32.9106 58.0781 -125.113 58.0793 -223.805 135.182 -125.113 135.181 -194.714 GPRESSURE: 2458600 81.4174 -42.6644 -155.969 88.2526 -229.061 171.967 -113.252 191.011 -152.027 PRESSAVG: 2458600 21.4401 6.49296 13.9417 6.49307 -33.5884 29.0172 13.9416 29.0172 16.5682 GPRESSAVG: 2458600 22.2985 5.91849 12.1472 6.53937 -34.1906 30.2164 15.9454 28.5392 17.2575 TIMING: 2458600 CPU: 7410.04, 0.00299302/step Wall: 7410.04, 0.00299302/step, 2.1129 hours remaining, 211.808594 MB of memory in use. ENERGY: 2458600 752.1009 2138.0332 1940.0066 112.0110 -205960.8961 17607.0674 0.0000 0.0000 34287.3717 -149124.3052 299.4401 -183411.6769 -149023.3873 299.7053 -128.5363 -99.8902 558055.1258 1.4733 1.7885 PRESSURE: 2458800 209.817 -187.424 -127.333 -187.426 124.724 -51.2974 -127.333 -51.2964 -44.413 GPRESSURE: 2458800 219.501 -185.012 -164.594 -189.453 153.627 -20.1994 -90.17 2.00538 12.3101 PRESSAVG: 2458800 30.5586 -25.1454 -38.8335 -25.1454 -43.3713 32.5381 -38.8336 32.5383 -1.59247 GPRESSAVG: 2458800 30.4058 -23.4621 -37.7006 -26.8788 -42.673 31.6524 -42.3403 35.042 -1.78129 TIMING: 2458800 CPU: 7410.63, 0.00298042/step Wall: 7410.63, 0.00298042/step, 2.10385 hours remaining, 211.808594 MB of memory in use. ENERGY: 2458800 720.3362 2100.5479 1947.6117 124.0513 -206429.6650 18089.7205 0.0000 0.0000 34309.4945 -149137.9028 299.6333 -183447.3974 -149033.5765 299.3660 96.7096 128.4794 557592.6185 -4.8017 -4.6828 PRESSURE: 2459000 -550.993 -12.2848 7.22772 -12.2857 62.3657 113.79 7.2271 113.79 -119.363 GPRESSURE: 2459000 -509.53 70.3042 -20.5653 -93.1082 58.6646 22.2931 20.7199 160.578 -83.194 PRESSAVG: 2459000 -7.21339 9.82428 -35.3362 9.82428 -6.70386 -18.5778 -35.3361 -18.5777 23.7475 GPRESSAVG: 2459000 -8.13307 10.0985 -35.7135 9.6352 -5.87855 -16.5893 -34.1293 -20.5117 23.683 TIMING: 2459000 CPU: 7411.23, 0.00297914/step Wall: 7411.23, 0.00297914/step, 2.10277 hours remaining, 211.808594 MB of memory in use. ENERGY: 2459000 769.9930 2093.5916 1965.8505 128.9281 -206096.5251 17459.8844 0.0000 0.0000 34428.4781 -149249.7995 300.6725 -183678.2776 -149149.2580 299.1037 -202.6635 -178.0197 557236.1578 3.2767 3.2238 PRESSURE: 2459200 -309.064 -110.514 -49.3203 -110.514 -54.5888 141.513 -49.3226 141.512 -162.837 GPRESSURE: 2459200 -226.977 -122.065 -18.3752 -70.479 -54.5342 158.93 -71.0077 9.95388 -156.191 PRESSAVG: 2459200 -43.7471 22.0864 -0.273495 22.0863 -39.2382 -21.8277 -0.273473 -21.8277 -1.68484 GPRESSAVG: 2459200 -42.1906 22.2567 -2.0917 24.3537 -40.9644 -22.1589 0.104044 -23.9171 -1.50731 TIMING: 2459200 CPU: 7411.83, 0.00300106/step Wall: 7411.83, 0.00300106/step, 2.11808 hours remaining, 211.808594 MB of memory in use. ENERGY: 2459200 766.1565 2042.4031 1950.2311 125.1946 -205895.6816 17578.6261 0.0000 0.0000 34145.1760 -149287.8942 298.1983 -183433.0702 -149194.5978 299.1697 -175.4967 -145.9007 557903.2807 -28.2234 -28.2208 PRESSURE: 2459400 173.242 -231.186 102.573 -231.187 41.6764 -75.6595 102.574 -75.6606 193.018 GPRESSURE: 2459400 252.067 -296.885 79.3823 -238.39 69.4322 -113.728 138.073 -39.5279 195.191 PRESSAVG: 2459400 20.9076 -0.888289 -26.584 -0.88831 -35.6298 17.312 -26.584 17.312 18.9499 GPRESSAVG: 2459400 20.6739 -2.14336 -24.1573 -2.85662 -35.5689 16.1271 -26.657 18.7374 19.3817 TIMING: 2459400 CPU: 7412.43, 0.00299666/step Wall: 7412.43, 0.00299666/step, 2.11481 hours remaining, 211.808594 MB of memory in use. ENERGY: 2459400 737.1325 2046.6542 1936.5983 103.2193 -206247.6231 17965.9689 0.0000 0.0000 34260.6313 -149197.4186 299.2066 -183458.0499 -149104.5747 299.4520 135.9788 172.2302 557255.1621 1.4093 1.4956 PRESSURE: 2459600 161.486 0.0915362 -66.3952 0.0925784 -141.052 50.8932 -66.3952 50.8932 -161.695 GPRESSURE: 2459600 167.619 38.5437 -17.4951 -39.0437 -110.22 89.6368 -81.3529 38.6682 -112.117 PRESSAVG: 2459600 96.425 -12.3224 23.1942 -12.3223 -32.6463 -6.853 23.1942 -6.85292 -84.2598 GPRESSAVG: 2459600 95.095 -10.7406 21.3103 -10.5446 -31.626 -5.03331 25.2645 -9.35538 -83.5755 TIMING: 2459600 CPU: 7413.03, 0.00299438/step Wall: 7413.03, 0.00299438/step, 2.11303 hours remaining, 211.808594 MB of memory in use. ENERGY: 2459600 779.4391 2061.4118 1932.1064 104.0852 -206026.1994 17714.3771 0.0000 0.0000 34118.3663 -149316.4135 297.9642 -183434.7798 -149221.2149 298.8932 -47.0873 -18.2395 557876.6930 -6.8271 -6.7022 PRESSURE: 2459800 -143.807 34.3286 35.7203 34.3287 -100.139 -59.1703 35.722 -59.1709 -94.0217 GPRESSURE: 2459800 -110.767 26.6707 -82.6705 86.0043 -32.2584 -118.255 64.388 -65.0711 -91.3742 PRESSAVG: 2459800 55.8404 -3.461 -48.0722 -3.46096 -19.6642 -9.02893 -48.0721 -9.02894 -38.3919 GPRESSAVG: 2459800 56.889 -7.542 -46.0888 -2.14765 -20.0209 -11.672 -50.3683 -6.24722 -38.5194 TIMING: 2459800 CPU: 7413.62, 0.00296521/step Wall: 7413.62, 0.00296521/step, 2.09228 hours remaining, 211.808594 MB of memory in use. ENERGY: 2459800 789.6183 2075.7097 1952.6108 120.6025 -206110.9636 17622.7402 0.0000 0.0000 34168.6433 -149381.0388 298.4033 -183549.6822 -149287.8300 298.8080 -112.6560 -78.1331 557227.8415 -0.7386 -0.5504 PRESSURE: 2460000 -176.924 27.782 -154.07 27.7831 101.38 31.4946 -154.069 31.4958 -129.97 GPRESSURE: 2460000 -192.262 43.5031 -102.236 -97.9475 131.964 50.9133 -144.818 78.0644 -56.6276 PRESSAVG: 2460000 34.6992 21.99 -2.87132 21.99 -25.4044 -12.6687 -2.87136 -12.6687 -5.76761 GPRESSAVG: 2460000 34.0174 24.6689 -4.94543 19.8956 -23.6996 -11.013 -3.47562 -12.0062 -6.43209 TIMING: 2460000 CPU: 7414.21, 0.00296488/step Wall: 7414.21, 0.00296488/step, 2.09188 hours remaining, 211.808594 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: 2460000 739.3134 2077.8124 1939.6779 100.6737 -206191.2299 17658.8763 0.0000 0.0000 34254.7186 -149420.1578 299.1550 -183674.8764 -149323.4891 299.0417 -68.5046 -38.9752 557928.9563 1.1757 1.2952 PRESSURE: 2460200 -3.31104 121.543 -54.3455 121.542 -64.3942 36.7392 -54.3466 36.7384 214.768 GPRESSURE: 2460200 25.5865 132.051 -53.6427 113.927 -23.5274 67.4931 -24.3783 26.2663 241.057 PRESSAVG: 2460200 22.6074 -44.565 36.3384 -44.5649 -24.2642 4.38652 36.3384 4.38645 -19.2344 GPRESSAVG: 2460200 23.4699 -44.0147 37.1061 -43.5478 -25.5368 4.82183 37.1973 3.53297 -18.0719 TIMING: 2460200 CPU: 7414.81, 0.00298665/step Wall: 7414.81, 0.00298665/step, 2.10708 hours remaining, 211.808594 MB of memory in use. ENERGY: 2460200 777.3506 2070.5773 1961.9405 109.6632 -206562.7283 17913.8921 0.0000 0.0000 34207.2349 -149522.0699 298.7403 -183729.3048 -149423.1940 298.2936 49.0210 81.0386 556672.8954 -6.9638 -6.7129 LDB: ============= START OF LOAD BALANCING ============== 7418.33 LDB: ============== END OF LOAD BALANCING =============== 7418.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7418.33 LDB: ============= START OF LOAD BALANCING ============== 7418.62 LDB: Largest compute 4772 load 0.029202 is 24.7% of average load 0.118035 LDB: Average compute 0.001727 is 1.5% of average load 0.118035 LDB: TIME 7418.63 LOAD: AVG 0.118035 MAX 0.208263 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.688 MB LDB: TIME 7418.63 LOAD: AVG 0.118035 MAX 0.208263 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.691 MB LDB: TIME 7418.63 LOAD: AVG 0.118035 MAX 0.208263 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.691 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7418.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7418.63 PRESSURE: 2460400 -335.148 -103.953 -41.8207 -103.953 -180.345 2.77239 -41.8199 2.77279 -121.836 GPRESSURE: 2460400 -253.867 -48.1188 33.745 -180.013 -191.247 -32.1613 -26.8929 -11.631 -98.6246 PRESSAVG: 2460400 59.6952 37.2417 52.3913 37.2418 -8.48946 -24.0671 52.3913 -24.0671 -21.1997 GPRESSAVG: 2460400 58.7385 37.4616 52.5306 36.4239 -7.70162 -23.2244 51.9761 -26.2598 -21.498 TIMING: 2460400 CPU: 7415.42, 0.00303664/step Wall: 7415.42, 0.00303664/step, 2.14218 hours remaining, 209.000000 MB of memory in use. ENERGY: 2460400 781.0392 2080.8831 1967.9282 110.4850 -206248.2296 17670.9851 0.0000 0.0000 34245.0963 -149391.8126 299.0709 -183636.9089 -149300.1715 299.1433 -212.4427 -181.2463 556878.4668 10.0020 9.8463 PRESSURE: 2460600 255.091 16.2429 -129.992 16.2434 -100.269 -47.0289 -129.993 -47.0304 184.499 GPRESSURE: 2460600 236.739 30.6747 -104.541 55.4304 1.89789 -95.9438 -115.66 -99.5304 195.275 PRESSAVG: 2460600 48.1732 -37.7798 -4.93497 -37.7797 -40.9287 26.73 -4.93499 26.7301 -5.83384 GPRESSAVG: 2460600 48.2553 -38.2836 -5.34577 -37.9162 -40.7311 25.9468 -5.55325 27.1307 -5.87275 TIMING: 2460600 CPU: 7416.01, 0.00298308/step Wall: 7416.01, 0.00298308/step, 2.10423 hours remaining, 209.058594 MB of memory in use. ENERGY: 2460600 711.4200 2084.2440 1922.7709 113.8399 -206630.5578 17994.4585 0.0000 0.0000 34447.3342 -149356.4903 300.8371 -183803.8244 -149254.6165 299.9295 113.1071 144.6371 555602.7394 0.4702 0.5505 PRESSURE: 2460800 108.597 12.6386 66.3524 12.6397 -136.89 -37.8032 66.3529 -37.8025 -12.4706 GPRESSURE: 2460800 112.275 16.7506 87.6162 -21.7047 -67.5388 -146.485 112.986 72.9749 7.52836 PRESSAVG: 2460800 74.9623 -64.8177 -19.6783 -64.8177 -76.0662 -0.718875 -19.6783 -0.718835 -60.2602 GPRESSAVG: 2460800 75.6462 -66.3315 -19.1536 -62.9224 -76.4831 0.432664 -19.505 0.383656 -60.345 TIMING: 2460800 CPU: 7416.61, 0.00298981/step Wall: 7416.61, 0.00298981/step, 2.10881 hours remaining, 209.058594 MB of memory in use. ENERGY: 2460800 788.4505 2101.6064 1925.9046 121.1765 -206482.0457 17820.4625 0.0000 0.0000 34361.1622 -149363.2829 300.0846 -183724.4451 -149272.2015 299.3111 -13.5879 17.4216 557177.9373 -20.4547 -20.3940 PRESSURE: 2461000 278.509 -132.537 -70.7068 -132.536 283.514 -89.6505 -70.7062 -89.6504 191.774 GPRESSURE: 2461000 272.632 -175.958 -25.9973 -65.0508 310.174 -85.2242 -4.76474 -79.0107 263.825 PRESSAVG: 2461000 55.5379 13.3703 -0.0310255 13.3704 44.5106 -28.3165 -0.0309677 -28.3164 -65.2856 GPRESSAVG: 2461000 55.4338 13.9927 -3.4103 15.2029 44.4777 -29.188 2.6787 -27.6668 -65.3592 TIMING: 2461000 CPU: 7417.21, 0.00299704/step Wall: 7417.21, 0.00299704/step, 2.11375 hours remaining, 209.058594 MB of memory in use. ENERGY: 2461000 747.9566 2092.9064 1954.4861 107.5844 -206728.2412 18261.5432 0.0000 0.0000 34107.9706 -149455.7939 297.8734 -183563.7645 -149363.2069 298.7584 251.2657 282.2103 557149.5063 11.5877 11.5175 PRESSURE: 2461200 -111.567 40.4658 -190.336 40.4655 97.6399 47.7278 -190.336 47.7277 87.0281 GPRESSURE: 2461200 -39.561 -32.9113 -201.01 46.863 142.847 76.612 -75.0051 20.7562 70.5073 PRESSAVG: 2461200 4.05178 -13.1067 26.3595 -13.1067 -30.0521 27.5404 26.3594 27.5403 7.64185 GPRESSAVG: 2461200 4.75295 -11.3796 28.9596 -16.7399 -32.3037 25.7783 22.3199 26.5246 8.47864 TIMING: 2461200 CPU: 7417.82, 0.00302214/step Wall: 7417.82, 0.00302214/step, 2.13128 hours remaining, 209.058594 MB of memory in use. ENERGY: 2461200 734.4830 2116.6520 1951.3328 101.3874 -206164.7889 17801.8802 0.0000 0.0000 34157.9764 -149301.0770 298.3101 -183459.0535 -149205.7250 298.6308 24.3669 57.9311 556953.0381 -6.1195 -6.3574 PRESSURE: 2461400 77.5959 7.38886 -2.1397 7.38872 -19.3605 -109.335 -2.13918 -109.336 97.2159 GPRESSURE: 2461400 168.866 19.8936 -32.7275 5.21547 -62.6827 -71.9174 14.5935 -100.65 143.316 PRESSAVG: 2461400 -11.9763 3.10613 -18.8817 3.10612 34.8069 79.4735 -18.8817 79.4735 1.1917 GPRESSAVG: 2461400 -12.0432 1.96964 -19.5002 3.33642 35.9861 79.7719 -17.0842 79.2895 0.188088 TIMING: 2461400 CPU: 7418.41, 0.00298103/step Wall: 7418.41, 0.00298103/step, 2.10212 hours remaining, 209.058594 MB of memory in use. ENERGY: 2461400 748.1308 2148.6122 1932.3175 118.9614 -206481.5528 17970.9414 0.0000 0.0000 34282.7842 -149279.8053 299.4001 -183562.5895 -149174.7855 298.8020 51.8171 83.1666 556956.6566 8.0075 8.0437 PRESSURE: 2461600 7.03355 -79.7962 5.64647 -79.7968 -116.378 119.923 5.64686 119.923 -62.5284 GPRESSURE: 2461600 12.9297 -68.8733 -7.08965 -51.8137 -45.0419 127.558 40.7695 93.0395 -30.9717 PRESSAVG: 2461600 22.4986 -50.1561 17.6647 -50.1562 -62.5901 37.6457 17.6647 37.6457 15.4868 GPRESSAVG: 2461600 22.4603 -48.7039 18.0681 -49.9546 -62.291 39.1874 18.6455 37.348 15.61 TIMING: 2461600 CPU: 7419.01, 0.002992/step Wall: 7419.01, 0.002992/step, 2.10969 hours remaining, 209.058594 MB of memory in use. ENERGY: 2461600 775.9431 2043.3770 1950.7210 118.3171 -206413.4669 17947.0231 0.0000 0.0000 34053.3752 -149524.7104 297.3966 -183578.0856 -149426.3108 298.4628 -57.2909 -21.0280 556621.8396 -8.2015 -8.0736 PRESSURE: 2461800 8.36007 -115.23 -92.5864 -115.231 -215.415 -23.4316 -92.5881 -23.4312 16.6507 GPRESSURE: 2461800 2.42128 -155.977 -73.5362 -20.0621 -185.92 42.8419 -124.703 -44.5643 85.503 PRESSAVG: 2461800 74.3064 -39.9343 -11.5235 -39.9343 -63.7884 26.3363 -11.5235 26.3363 -36.4131 GPRESSAVG: 2461800 74.5971 -41.0316 -8.57193 -40.2465 -64.19 27.4636 -15.5261 25.8808 -35.8756 TIMING: 2461800 CPU: 7419.61, 0.00298029/step Wall: 7419.61, 0.00298029/step, 2.10127 hours remaining, 209.058594 MB of memory in use. ENERGY: 2461800 737.4492 2067.6805 1913.0351 104.6502 -206141.2144 17667.1667 0.0000 0.0000 34129.6468 -149521.5860 298.0627 -183651.2328 -149424.4881 298.3681 -63.4681 -32.6653 558096.2201 -8.6317 -8.4895 PRESSURE: 2462000 -132.154 -108.268 11.375 -108.27 77.5187 67.3042 11.3744 67.3043 238.556 GPRESSURE: 2462000 -72.7525 -89.3754 -60.9663 -114.045 85.5845 76.5056 43.5739 88.6034 265.106 PRESSAVG: 2462000 -73.2367 -72.2232 -45.0379 -72.2232 -53.8269 4.06154 -45.0378 4.06149 57.2945 GPRESSAVG: 2462000 -73.2117 -72.4657 -47.4993 -71.5585 -53.5271 1.5321 -41.1126 6.32018 57.0837 TIMING: 2462000 CPU: 7420.2, 0.00299561/step Wall: 7420.2, 0.00299561/step, 2.1119 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: 2462000 751.6651 2084.7466 1953.9891 114.5809 -206299.1537 17885.1111 0.0000 0.0000 34213.9316 -149295.1294 298.7988 -183509.0610 -149200.8228 298.9380 61.3068 92.6460 558077.2497 -23.2564 -23.2184 PRESSURE: 2462200 -126.936 82.3743 108.679 82.3741 -33.1323 44.8521 108.681 44.8526 72.8748 GPRESSURE: 2462200 -88.4719 -14.6549 91.2299 87.0903 -19.246 30.5664 121.961 91.868 110.352 PRESSAVG: 2462200 -54.1895 -20.2049 0.713877 -20.2049 32.1773 -48.3243 0.713833 -48.3244 11.3724 GPRESSAVG: 2462200 -53.5424 -19.2854 1.80235 -20.7308 31.1306 -50.3095 -0.122386 -47.7495 12.1358 TIMING: 2462200 CPU: 7420.8, 0.00298156/step Wall: 7420.8, 0.00298156/step, 2.10183 hours remaining, 209.058594 MB of memory in use. ENERGY: 2462200 755.3064 2164.9721 1931.9011 103.9013 -206223.8032 17839.5175 0.0000 0.0000 34266.6525 -149161.5523 299.2592 -183428.2048 -149071.9624 298.8169 -29.0645 0.8782 558797.1776 -3.5466 -3.4254 PRESSURE: 2462400 129.109 -122.295 -125.239 -122.296 191.074 -118.836 -125.239 -118.836 165.37 GPRESSURE: 2462400 132.109 -68.0382 -164.902 -122.97 216.334 -129.352 -145.695 -71.278 230.705 PRESSAVG: 2462400 28.6285 -20.1901 80.604 -20.1902 -67.2042 -6.10167 80.604 -6.10155 -16.1692 GPRESSAVG: 2462400 27.4121 -21.1471 78.779 -19.9693 -66.8376 -1.3703 81.1463 -7.86221 -15.3649 TIMING: 2462400 CPU: 7421.4, 0.00297673/step Wall: 7421.4, 0.00297673/step, 2.09826 hours remaining, 209.058594 MB of memory in use. ENERGY: 2462400 708.9565 2096.0699 1915.6293 110.2621 -206531.7075 17965.9124 0.0000 0.0000 34267.3367 -149467.5406 299.2652 -183734.8773 -149371.5360 299.1351 161.8513 193.0494 556909.1733 -18.2483 -18.2634 PRESSURE: 2462600 25.3622 -53.0098 -222.812 -53.0088 -134.949 -26.1683 -222.812 -26.1667 195.702 GPRESSURE: 2462600 49.958 -82.9587 -180.252 -0.84292 -120.706 -41.123 -205.126 84.2666 236.704 PRESSAVG: 2462600 31.556 -3.40975 61.4509 -3.40971 -42.6107 10.7092 61.4508 10.7092 18.3982 GPRESSAVG: 2462600 32.258 -2.5513 61.8102 -4.02215 -42.4915 6.43888 59.995 12.3332 17.5779 TIMING: 2462600 CPU: 7421.99, 0.00297856/step Wall: 7421.99, 0.00297856/step, 2.09939 hours remaining, 209.058594 MB of memory in use. ENERGY: 2462600 719.6342 2081.3406 1921.4083 107.8510 -206823.9810 18081.3225 0.0000 0.0000 34412.7191 -149499.7054 300.5348 -183912.4245 -149400.0828 298.5027 28.7049 55.3187 557330.9918 2.4478 2.4481 PRESSURE: 2462800 -154.13 -70.2655 -139.823 -70.2658 18.8664 141.503 -139.822 141.504 -92.7474 GPRESSURE: 2462800 -128.265 -40.278 -65.4322 -56.0644 39.0199 85.6507 -165.608 151.548 -44.112 PRESSAVG: 2462800 -17.1181 -69.6822 -59.4403 -69.6822 -24.4603 51.805 -59.4403 51.805 19.5409 GPRESSAVG: 2462800 -17.5082 -70.121 -59.1294 -68.9231 -24.4183 52.9873 -59.6176 48.7288 19.2949 TIMING: 2462800 CPU: 7422.59, 0.00298981/step Wall: 7422.59, 0.00298981/step, 2.10715 hours remaining, 209.058594 MB of memory in use. ENERGY: 2462800 703.2373 2098.7627 1909.4861 117.1268 -206900.2131 18198.2739 0.0000 0.0000 34295.1665 -149578.1599 299.5082 -183873.3264 -149477.2678 298.7440 -76.0036 -44.4523 558337.3520 -7.3458 -7.5439 PRESSURE: 2463000 196.047 -63.6443 -59.5303 -63.6444 -24.5007 189.489 -59.5314 189.489 65.1597 GPRESSURE: 2463000 203.065 -17.2001 -112.33 -94.7387 6.22973 260.244 -43.8372 179.799 114.686 PRESSAVG: 2463000 16.9546 -37.2516 -9.44229 -37.2515 36.1014 17.7561 -9.44225 17.7559 -37.0476 GPRESSAVG: 2463000 16.4204 -36.8303 -8.95889 -36.2252 36.3603 18.318 -10.5095 18.375 -37.3965 TIMING: 2463000 CPU: 7423.19, 0.00297816/step Wall: 7423.19, 0.00297816/step, 2.09877 hours remaining, 209.058594 MB of memory in use. ENERGY: 2463000 728.0847 2040.1772 1918.7634 101.6828 -206445.4922 17896.5414 0.0000 0.0000 34066.1790 -149694.0636 297.5084 -183760.2426 -149595.9670 297.7532 78.9022 107.9934 557722.0044 5.3361 5.1280 PRESSURE: 2463200 166.305 -25.2073 -67.0181 -25.2069 45.9617 -25.9628 -67.0175 -25.9632 91.0597 GPRESSURE: 2463200 261.561 -10.6006 -64.5483 -95.6192 37.362 -21.0142 -108.878 31.7123 115.742 PRESSAVG: 2463200 41.9701 -33.3807 10.7479 -33.3807 -86.2124 13.0711 10.7479 13.0712 30.0709 GPRESSAVG: 2463200 43.3162 -33.9747 10.9612 -33.8946 -87.6401 13.6606 11.6237 12.3834 30.1503 TIMING: 2463200 CPU: 7423.78, 0.00297068/step Wall: 7423.78, 0.00297068/step, 2.09334 hours remaining, 209.058594 MB of memory in use. ENERGY: 2463200 728.5603 2051.8241 1924.2370 114.3950 -206521.9187 18112.6772 0.0000 0.0000 34026.4034 -149563.8217 297.1610 -183590.2251 -149477.9013 297.9269 101.1086 138.2215 559000.7219 -4.7238 -4.7245 PRESSURE: 2463400 -10.3478 4.22549 -85.7777 4.22444 20.4683 136.191 -85.7771 136.191 91.0534 GPRESSURE: 2463400 90.0394 40.9091 -40.136 54.5393 9.31249 165.702 -70.1441 41.1342 110.004 PRESSAVG: 2463400 2.15641 9.69057 -54.2845 9.69051 -82.5479 -2.18213 -54.2845 -2.18213 58.9747 GPRESSAVG: 2463400 1.97968 11.3615 -54.8242 9.20659 -82.8811 -1.88737 -54.6842 -2.93412 59.2127 TIMING: 2463400 CPU: 7424.38, 0.00299828/step Wall: 7424.38, 0.00299828/step, 2.11262 hours remaining, 209.058594 MB of memory in use. ENERGY: 2463400 749.3438 2009.0934 1951.7555 109.1170 -206722.3898 18064.0976 0.0000 0.0000 34385.1302 -149453.8523 300.2939 -183838.9824 -149363.1913 297.7935 33.7246 69.7854 558914.6819 -7.1389 -7.2296 PRESSURE: 2463600 217.807 -105.162 57.022 -105.163 33.0153 -103.778 57.0225 -103.779 -164.042 GPRESSURE: 2463600 244.253 -158.17 100.314 -156.993 118.322 -161.78 -3.59754 -20.5877 -178.003 PRESSAVG: 2463600 17.58 -31.7741 -32.3294 -31.7741 -32.603 2.91982 -32.3295 2.91984 45.2073 GPRESSAVG: 2463600 17.5537 -32.6444 -32.819 -31.0695 -31.8073 1.98651 -30.3542 3.71004 44.3016 TIMING: 2463600 CPU: 7424.98, 0.00299092/step Wall: 7424.98, 0.00299092/step, 2.10727 hours remaining, 209.058594 MB of memory in use. ENERGY: 2463600 730.0331 2029.3551 1958.4296 122.5512 -206322.4242 17880.6438 0.0000 0.0000 34202.5783 -149398.8331 298.6996 -183601.4115 -149301.5094 298.1858 28.9267 61.5241 557083.0267 10.0614 10.0160 PRESSURE: 2463800 -136.355 69.1547 -37.2162 69.1543 -110.282 12.0938 -37.2168 12.094 -139.134 GPRESSURE: 2463800 -118.598 56.587 -8.40368 105.67 -60.8142 36.2474 -58.5857 -3.05195 -129.772 PRESSAVG: 2463800 50.9942 -27.3747 4.91414 -27.3746 -32.9872 -26.2002 4.9141 -26.2002 -2.82856 GPRESSAVG: 2463800 50.945 -28.7783 4.25927 -29.3916 -33.724 -25.2549 3.988 -23.4264 -2.48941 TIMING: 2463800 CPU: 7425.58, 0.0029892/step Wall: 7425.58, 0.0029892/step, 2.10589 hours remaining, 209.058594 MB of memory in use. ENERGY: 2463800 790.0811 2065.5740 1978.1996 127.3716 -206192.9831 17932.0173 0.0000 0.0000 33993.4284 -149306.3112 296.8731 -183299.7396 -149206.8100 298.6713 -128.5902 -103.0614 559215.6242 5.0595 4.9105 PRESSURE: 2464000 -75.1832 90.3562 41.1335 90.3556 -130.73 -30.8278 41.1345 -30.8275 185.228 GPRESSURE: 2464000 -51.4804 85.216 18.9708 50.8823 -74.4656 34.1136 7.08946 -16.9539 198.133 PRESSAVG: 2464000 16.4567 -5.52777 -5.71704 -5.52773 22.665 -42.7409 -5.71715 -42.741 -6.03845 GPRESSAVG: 2464000 15.6674 -5.67909 -5.60698 -5.56011 23.3588 -44.8598 -3.91712 -43.5427 -5.79896 TIMING: 2464000 CPU: 7426.17, 0.00298963/step Wall: 7426.17, 0.00298963/step, 2.10603 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: 2464000 742.1451 2108.3698 1914.3424 115.1359 -206280.5417 17908.5180 0.0000 0.0000 34033.8615 -149458.1690 297.2262 -183492.0305 -149368.7947 298.3059 -6.8948 24.0623 559534.1380 11.0278 11.0757 PRESSURE: 2464200 -141.334 43.7231 -126.352 43.7224 -170.187 46.4607 -126.352 46.4597 -186.071 GPRESSURE: 2464200 -90.8364 65.1544 -121.268 77.9513 -142.49 -1.71827 -81.7541 91.3405 -166.348 PRESSAVG: 2464200 -44.768 27.1989 -34.1497 27.1989 -25.5833 -23.1528 -34.1497 -23.1529 19.0532 GPRESSAVG: 2464200 -45.8249 27.68 -33.7289 27.826 -25.62 -22.4975 -35.9609 -22.1141 19.8341 TIMING: 2464200 CPU: 7426.77, 0.00299333/step Wall: 7426.77, 0.00299333/step, 2.10847 hours remaining, 209.058594 MB of memory in use. ENERGY: 2464200 751.6994 2041.4285 1932.2474 122.4645 -206319.3611 17853.0950 0.0000 0.0000 34101.0055 -149517.4207 297.8126 -183618.4262 -149425.8463 297.9801 -165.8638 -133.2249 559176.9576 -17.0994 -17.2036 LDB: ============= START OF LOAD BALANCING ============== 7430.29 LDB: ============== END OF LOAD BALANCING =============== 7430.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7430.29 LDB: ============= START OF LOAD BALANCING ============== 7430.59 LDB: Largest compute 4772 load 0.030166 is 25.6% of average load 0.118029 LDB: Average compute 0.001724 is 1.5% of average load 0.118029 LDB: TIME 7430.59 LOAD: AVG 0.118029 MAX 0.204711 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 212.215 MB LDB: TIME 7430.59 LOAD: AVG 0.118029 MAX 0.204711 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 212.285 MB LDB: TIME 7430.59 LOAD: AVG 0.118029 MAX 0.204711 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 212.285 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7430.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7430.6 PRESSURE: 2464400 -235.178 114.139 -161.361 114.14 -134.652 8.84934 -161.361 8.85028 -73.8526 GPRESSURE: 2464400 -293.192 157.866 -187.778 72.8676 -85.5552 -71.0274 -135.278 11.6961 23.9353 PRESSAVG: 2464400 -30.4427 42.5904 -35.5096 42.5904 70.4878 -21.3289 -35.5096 -21.3289 -43.3378 GPRESSAVG: 2464400 -29.0806 41.637 -37.2701 43.9298 69.3065 -20.5202 -33.4979 -21.7862 -43.9108 TIMING: 2464400 CPU: 7427.38, 0.00304339/step Wall: 7427.38, 0.00304339/step, 2.14356 hours remaining, 209.199219 MB of memory in use. ENERGY: 2464400 760.3841 2062.1821 1960.4501 103.5745 -206176.4643 17729.4084 0.0000 0.0000 34138.4695 -149421.9957 298.1397 -183560.4652 -149325.3749 298.8834 -147.8943 -118.2708 558282.2259 -1.0976 -1.2283 PRESSURE: 2464600 -101.58 -250.567 108.701 -250.569 94.0924 -18.5676 108.702 -18.5674 -264.991 GPRESSURE: 2464600 -63.4151 -235.836 -27.3875 -186.831 111.378 10.1578 200.531 -25.6984 -224.933 PRESSAVG: 2464600 -16.637 -12.7201 -5.3507 -12.7202 10.0403 17.7298 -5.35072 17.7299 0.147661 GPRESSAVG: 2464600 -17.0104 -12.3277 -4.1704 -13.1549 8.71649 18.0865 -9.08528 17.4874 1.43627 TIMING: 2464600 CPU: 7427.98, 0.00301221/step Wall: 7427.98, 0.00301221/step, 2.12144 hours remaining, 209.660156 MB of memory in use. ENERGY: 2464600 743.2413 2080.4444 1928.1145 110.2584 -206341.3374 17741.8959 0.0000 0.0000 34261.5166 -149475.8663 299.2143 -183737.3829 -149381.8779 298.5079 -90.8262 -58.9900 557296.5681 -2.1497 -2.2859 PRESSURE: 2464800 -245.467 -123.995 -113.721 -123.996 -141.185 -29.7174 -113.721 -29.7179 -151.645 GPRESSURE: 2464800 -260.599 -185.747 -113.246 -95.1991 -38.7194 -116.683 -101.056 12.2578 -142.943 PRESSAVG: 2464800 15.5269 -34.8259 -45.9986 -34.8258 -25.8966 -12.5873 -45.9987 -12.5872 -16.0057 GPRESSAVG: 2464800 15.0967 -34.688 -44.1987 -34.8344 -23.9027 -13.8361 -46.1553 -11.7189 -17.4647 TIMING: 2464800 CPU: 7428.58, 0.00298479/step Wall: 7428.58, 0.00298479/step, 2.10195 hours remaining, 209.718750 MB of memory in use. ENERGY: 2464800 765.3516 2074.9144 1940.7141 109.5021 -206164.3370 17678.0436 0.0000 0.0000 34170.8411 -149424.9700 298.4225 -183595.8112 -149331.9711 298.9444 -179.4324 -147.4202 558313.8104 -8.7918 -8.7569 PRESSURE: 2465000 61.5207 174.455 -2.86644 174.455 91.2773 -86.9306 -2.86687 -86.9317 439.315 GPRESSURE: 2465000 84.0358 162.925 -18.8855 169.561 128.935 -154.871 -36.0656 -26.062 483.574 PRESSAVG: 2465000 -58.0126 -31.7709 -4.16979 -31.7709 -49.8591 -34.2962 -4.16989 -34.2962 62.6416 GPRESSAVG: 2465000 -57.0796 -30.583 -5.95583 -33.254 -50.1305 -34.4071 -1.47376 -34.7232 62.4503 TIMING: 2465000 CPU: 7429.18, 0.00299335/step Wall: 7429.18, 0.00299335/step, 2.10782 hours remaining, 209.718750 MB of memory in use. ENERGY: 2465000 720.3207 2022.9739 1927.6618 111.6806 -206243.7884 18019.2701 0.0000 0.0000 34180.5459 -149261.3354 298.5072 -183441.8813 -149165.2355 299.0526 197.3709 232.1818 557298.3341 -15.0767 -14.9200 PRESSURE: 2465200 -57.5386 -8.29847 62.6282 -8.29919 -42.4902 -125.52 62.6291 -125.519 -77.7529 GPRESSURE: 2465200 -52.6944 -133.715 60.5311 57.28 40.1152 -128.307 51.1464 -217.02 -60.3012 PRESSAVG: 2465200 47.8847 -17.0161 13.1242 -17.016 -101.904 -51.2691 13.1243 -51.2691 22.7051 GPRESSAVG: 2465200 48.2035 -18.5102 13.5847 -16.4395 -102.521 -49.3301 14.0512 -53.0163 22.9642 TIMING: 2465200 CPU: 7429.78, 0.00301386/step Wall: 7429.78, 0.00301386/step, 2.12209 hours remaining, 209.718750 MB of memory in use. ENERGY: 2465200 714.7260 2092.6366 1952.7409 103.7058 -205975.6726 17612.8023 0.0000 0.0000 34299.7400 -149199.3209 299.5482 -183499.0609 -149107.1113 298.8425 -59.2605 -24.2935 558513.7923 -10.4382 -10.4510 PRESSURE: 2465400 72.7244 29.4661 22.9165 29.4668 36.1926 38.5953 22.9178 38.5959 85.0583 GPRESSURE: 2465400 42.6572 -44.5137 54.8829 61.7517 111.062 -19.8208 -20.3385 16.0927 134.858 PRESSAVG: 2465400 33.58 -29.7548 19.5272 -29.7547 -13.8415 -26.6754 19.5272 -26.6755 -9.42776 GPRESSAVG: 2465400 32.8054 -28.1746 18.9943 -29.386 -14.145 -27.7422 17.2874 -25.6275 -8.81367 TIMING: 2465400 CPU: 7430.38, 0.00298209/step Wall: 7430.38, 0.00298209/step, 2.09955 hours remaining, 209.718750 MB of memory in use. ENERGY: 2465400 726.0163 2123.1863 1913.6636 127.8619 -206225.4410 17921.3889 0.0000 0.0000 34335.2225 -149078.1016 299.8580 -183413.3241 -148992.8211 299.1319 64.6584 96.1921 557444.8440 3.4369 3.2822 PRESSURE: 2465600 -55.3969 -103.014 -148.396 -103.014 110.616 33.3178 -148.397 33.3183 -40.9995 GPRESSURE: 2465600 -69.5551 -122.813 -139.952 -22.768 144.709 65.7394 -89.7325 45.0586 33.636 PRESSAVG: 2465600 62.8259 -0.333098 -37.2231 -0.333074 -60.7924 38.1408 -37.2231 38.1409 9.43501 GPRESSAVG: 2465600 61.8636 -1.27243 -36.0667 -0.243611 -59.5147 38.1184 -34.8443 36.7041 9.02484 TIMING: 2465600 CPU: 7430.97, 0.00297822/step Wall: 7430.97, 0.00297822/step, 2.09666 hours remaining, 209.718750 MB of memory in use. ENERGY: 2465600 763.8051 2037.5016 1945.4463 108.7222 -206319.0080 17785.1175 0.0000 0.0000 34455.7160 -149222.6992 300.9103 -183678.4152 -149115.8306 299.4978 4.7399 36.2634 556851.3925 3.8228 3.7912 PRESSURE: 2465800 255.71 17.8043 145.218 17.8046 47.0529 43.1203 145.217 43.121 -180.383 GPRESSURE: 2465800 322.599 61.0864 80.9491 48.1745 53.815 91.3072 143.135 29.0497 -158.472 PRESSAVG: 2465800 -8.63772 48.2274 -8.56416 48.2275 42.2908 24.0042 -8.56416 24.0042 -12.2362 GPRESSAVG: 2465800 -7.94139 48.1225 -9.26975 49.1314 41.7316 25.0511 -9.04164 22.9918 -12.2744 TIMING: 2465800 CPU: 7431.57, 0.00298256/step Wall: 7431.57, 0.00298256/step, 2.09955 hours remaining, 209.718750 MB of memory in use. ENERGY: 2465800 762.9313 2059.6433 1939.0898 111.8082 -205999.8332 17829.8945 0.0000 0.0000 34170.3807 -149126.0855 298.4184 -183296.4662 -149034.3998 299.0979 40.7933 72.6474 557960.3344 7.1389 7.1719 PRESSURE: 2466000 214.418 -102.599 123.599 -102.599 20.0677 219.2 123.598 219.2 215.322 GPRESSURE: 2466000 257.972 -151.283 84.3667 -97.6641 61.1842 176.948 163.481 185.061 241.341 PRESSAVG: 2466000 19.4065 2.39058 13.39 2.39062 27.0869 21.6143 13.3899 21.6143 -0.426936 GPRESSAVG: 2466000 19.5331 2.00383 11.5106 3.27457 27.152 21.082 12.1067 23.658 -0.805533 TIMING: 2466000 CPU: 7432.17, 0.00298132/step Wall: 7432.17, 0.00298132/step, 2.09852 hours remaining, 209.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2466000 797.8895 2105.4626 1924.8303 120.8359 -206950.7598 18444.2433 0.0000 0.0000 34383.2629 -149174.2353 300.2776 -183557.4982 -149083.1811 299.8100 149.9359 186.8323 558484.0395 15.3555 15.2932 PRESSURE: 2466200 38.484 77.2871 142.77 77.2872 209.454 10.5094 142.771 10.5115 85.9212 GPRESSURE: 2466200 88.7938 5.01966 82.6972 104.919 185.543 60.9413 123.216 -60.136 162.197 PRESSAVG: 2466200 -30.4286 65.9253 41.0367 65.9252 11.3004 -28.3681 41.0368 -28.3681 -10.6476 GPRESSAVG: 2466200 -31.1749 66.797 43.2956 65.3852 11.1921 -27.6989 41.9415 -27.2025 -9.56457 TIMING: 2466200 CPU: 7432.77, 0.00300132/step Wall: 7432.77, 0.00300132/step, 2.11243 hours remaining, 209.718750 MB of memory in use. ENERGY: 2466200 749.7008 2020.8436 1958.0834 116.4637 -206262.7165 17984.4227 0.0000 0.0000 34250.3022 -149182.9002 299.1164 -183433.2023 -149085.0406 298.8860 111.2865 145.5114 557686.4519 -9.9252 -9.8491 PRESSURE: 2466400 113.985 76.6684 -85.2912 76.6689 -113.726 177.757 -85.2913 177.757 317.009 GPRESSURE: 2466400 122.747 111.684 -179.478 131.348 -75.6605 75.0406 -31.0585 305.15 361.282 PRESSAVG: 2466400 10.279 60.0449 -26.3344 60.045 -59.0297 49.0593 -26.3345 49.0595 29.6415 GPRESSAVG: 2466400 10.6017 61.7564 -28.1151 61.7324 -59.952 49.7345 -26.769 48.4296 30.291 TIMING: 2466400 CPU: 7433.37, 0.00302222/step Wall: 7433.37, 0.00302222/step, 2.12697 hours remaining, 209.718750 MB of memory in use. ENERGY: 2466400 749.3632 2134.2397 1959.7559 115.6085 -206472.4381 17925.1750 0.0000 0.0000 34349.8049 -149238.4907 299.9854 -183588.2957 -149144.8326 299.1011 105.7561 136.1229 558129.2917 -6.3697 -6.3531 PRESSURE: 2466600 -123.285 -75.007 -4.88328 -75.0073 16.9158 29.3521 -4.88274 29.3513 -121.082 GPRESSURE: 2466600 -153.624 -49.4659 40.9669 -53.2049 60.8816 -84.3507 19.4291 89.6405 -47.5329 PRESSAVG: 2466600 11.0323 34.9622 -10.9824 34.9622 19.1579 -0.038195 -10.9825 -0.038146 2.14882 GPRESSAVG: 2466600 11.7181 33.3574 -9.80117 32.5317 19.7044 -2.37454 -8.74958 -0.219528 0.718316 TIMING: 2466600 CPU: 7433.98, 0.00303714/step Wall: 7433.98, 0.00303714/step, 2.13731 hours remaining, 209.718750 MB of memory in use. ENERGY: 2466600 732.0725 2107.8460 1950.6274 114.5739 -206332.8711 17845.2361 0.0000 0.0000 34301.0575 -149281.4577 299.5597 -183582.5153 -149183.0919 298.9924 -75.8171 -46.7584 559116.3661 10.7797 10.7136 PRESSURE: 2466800 -55.8593 -81.9651 -19.414 -81.964 -138.026 -140.791 -19.414 -140.789 109.342 GPRESSURE: 2466800 -20.6401 -61.2258 20.0963 -58.9335 -91.6612 -128.57 -80.4632 -172.638 123.546 PRESSAVG: 2466800 -32.5092 -16.823 20.3875 -16.823 -17.466 36.2597 20.3875 36.2596 11.4198 GPRESSAVG: 2466800 -32.2613 -15.3735 19.4446 -17.079 -17.5047 36.6449 18.3274 35.8655 11.5534 TIMING: 2466800 CPU: 7434.58, 0.00300814/step Wall: 7434.58, 0.00300814/step, 2.11673 hours remaining, 209.730469 MB of memory in use. ENERGY: 2466800 708.8736 2108.9420 1936.6100 104.7729 -206283.0233 17866.3084 0.0000 0.0000 34411.0971 -149146.4194 300.5207 -183557.5165 -149046.4505 299.3823 -28.1810 3.7484 557830.1047 -12.8518 -12.7376 PRESSURE: 2467000 246.021 45.8716 -116.088 45.8718 -130.349 151.217 -116.089 151.218 65.4906 GPRESSURE: 2467000 271.664 -3.94129 -18.0928 45.2917 -138.476 154.728 -79.1631 108.502 134.274 PRESSAVG: 2467000 40.0136 -1.46831 9.60965 -1.46834 -84.7478 -25.3077 9.60964 -25.3077 73.4924 GPRESSAVG: 2467000 38.6861 -3.58677 10.175 0.994606 -83.6924 -25.6647 9.14823 -23.9825 74.0253 TIMING: 2467000 CPU: 7435.18, 0.00299608/step Wall: 7435.18, 0.00299608/step, 2.10808 hours remaining, 209.730469 MB of memory in use. ENERGY: 2467000 730.5036 2131.4407 1940.2016 113.9103 -206301.2761 17976.0132 0.0000 0.0000 34285.9978 -149123.2089 299.4281 -183409.2067 -149030.1874 299.1759 60.3878 89.1538 557731.2046 9.5861 9.6730 PRESSURE: 2467200 18.2452 -149.537 -77.0535 -149.536 -15.0187 24.2778 -77.0545 24.2773 -342.081 GPRESSURE: 2467200 88.1474 -216.462 -82.7965 -59.8001 -16.4525 10.1819 -124.892 105.366 -303.82 PRESSAVG: 2467200 -90.5245 -71.101 -9.62542 -71.101 8.85174 26.1993 -9.62537 26.1993 57.9858 GPRESSAVG: 2467200 -90.7277 -69.7874 -8.6511 -71.8589 8.69776 28.4977 -8.63331 25.4467 57.8433 TIMING: 2467200 CPU: 7435.78, 0.00299664/step Wall: 7435.78, 0.00299664/step, 2.1083 hours remaining, 209.730469 MB of memory in use. ENERGY: 2467200 757.4681 2086.8688 1917.8998 104.8250 -205929.7554 17689.0521 0.0000 0.0000 34209.4249 -149164.2167 298.7594 -183373.6416 -149062.2053 299.3760 -112.9516 -77.3750 559661.2475 -7.8956 -8.0622 PRESSURE: 2467400 -53.6154 5.07719 56.1219 5.07773 158.656 -27.2993 56.1224 -27.299 -85.2414 GPRESSURE: 2467400 -52.5168 27.7064 20.0955 3.25864 187.114 -2.41145 80.6222 -61.1933 -26.4264 PRESSAVG: 2467400 -48.2284 22.9249 -15.6493 22.925 38.0563 -11.3227 -15.6493 -11.3227 31.0497 GPRESSAVG: 2467400 -47.3377 22.4664 -15.1687 22.5122 37.4166 -12.2484 -16.5268 -12.2862 30.945 TIMING: 2467400 CPU: 7436.38, 0.00299057/step Wall: 7436.38, 0.00299057/step, 2.10386 hours remaining, 209.730469 MB of memory in use. ENERGY: 2467400 739.4888 2100.8417 1943.0610 107.9781 -206177.3027 17842.9394 0.0000 0.0000 34295.3253 -149147.6682 299.5096 -183442.9935 -149048.6589 299.2993 6.5997 36.0569 559019.5776 6.9592 7.0080 PRESSURE: 2467600 -288.756 -69.0617 -63.1085 -69.0621 -297.23 29.3202 -63.1096 29.3218 -298.717 GPRESSURE: 2467600 -301.801 -34.9817 13.4413 -41.3408 -303.381 63.4924 -140.947 56.6991 -181.659 PRESSAVG: 2467600 -12.7832 -1.41294 -30.5245 -1.41288 -4.93447 11.8735 -30.5245 11.8737 17.4495 GPRESSAVG: 2467600 -13.3161 -1.58136 -30.5178 -1.42317 -4.14716 13.9642 -31.4581 11.4547 17.6741 TIMING: 2467600 CPU: 7436.98, 0.00301573/step Wall: 7436.98, 0.00301573/step, 2.1214 hours remaining, 209.730469 MB of memory in use. ENERGY: 2467600 798.1862 2104.6836 1933.9837 115.9782 -205927.5478 17412.7900 0.0000 0.0000 34265.3844 -149296.5418 299.2481 -183561.9261 -149196.4933 298.8981 -294.9012 -262.2805 558031.9839 -0.0894 0.0703 PRESSURE: 2467800 58.3362 87.939 -139.377 87.9392 -4.10256 -7.09871 -139.378 -7.10091 31.6759 GPRESSURE: 2467800 95.2229 111.899 -115.9 35.1305 49.6363 38.4638 -126.812 -25.6904 34.7219 PRESSAVG: 2467800 40.4674 -28.9258 -40.5725 -28.9258 27.712 2.07602 -40.5724 2.07601 6.18907 GPRESSAVG: 2467800 40.7413 -27.7125 -40.1797 -29.4182 28.6551 0.714458 -40.0842 1.75477 5.12595 TIMING: 2467800 CPU: 7437.58, 0.00298713/step Wall: 7437.58, 0.00298713/step, 2.10111 hours remaining, 209.730469 MB of memory in use. ENERGY: 2467800 767.6983 2075.5284 1957.0330 109.6412 -206382.0942 17950.2397 0.0000 0.0000 34201.1038 -149320.8498 298.6867 -183521.9536 -149232.2503 299.0111 28.6365 59.8604 557362.1042 24.7895 24.8408 PRESSURE: 2468000 71.8784 34.3579 60.9579 34.357 -116.425 -34.0988 60.9574 -34.1005 53.7581 GPRESSURE: 2468000 76.8842 -93.0477 -91.0758 72.6788 -57.0531 17.3703 129.826 -13.3266 77.4133 PRESSAVG: 2468000 78.2022 -9.97614 -3.10346 -9.97619 -51.5232 24.1821 -3.10345 24.1822 -29.3 GPRESSAVG: 2468000 77.4223 -12.3817 -4.23589 -8.31234 -51.2524 23.4702 -2.61243 26.8897 -29.0282 TIMING: 2468000 CPU: 7438.17, 0.00296721/step Wall: 7438.17, 0.00296721/step, 2.08694 hours remaining, 209.730469 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: 2468000 789.3527 2172.3078 1954.3173 108.0714 -206158.5346 17817.6127 0.0000 0.0000 33961.3674 -149355.5054 296.5931 -183316.8727 -149256.8293 299.0102 3.0705 32.4148 557251.0736 -0.8737 -0.9528 PRESSURE: 2468200 -234.134 119.148 -185.124 119.147 -59.7977 -51.9015 -185.123 -51.9017 -221.207 GPRESSURE: 2468200 -220.914 17.269 -162.174 127.568 0.224085 108.945 -195.45 -149.727 -190.395 PRESSAVG: 2468200 108.421 5.52119 -19.9799 5.52122 15.3354 15.7824 -19.98 15.7823 -124.057 GPRESSAVG: 2468200 109.09 8.13941 -20.4994 4.79942 14.4761 15.0431 -20.7758 15.1961 -123.662 TIMING: 2468200 CPU: 7438.76, 0.00296338/step Wall: 7438.76, 0.00296338/step, 2.08408 hours remaining, 209.730469 MB of memory in use. ENERGY: 2468200 784.4273 2047.0764 1959.5778 111.9463 -205765.6350 17571.7711 0.0000 0.0000 33950.2244 -149340.6118 296.4958 -183290.8361 -149240.2418 298.0414 -171.7129 -137.0284 558714.4963 -0.1000 -0.0321 LDB: ============= START OF LOAD BALANCING ============== 7442.28 LDB: ============== END OF LOAD BALANCING =============== 7442.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7442.28 LDB: ============= START OF LOAD BALANCING ============== 7442.58 LDB: Largest compute 4800 load 0.030294 is 25.7% of average load 0.117982 LDB: Average compute 0.001725 is 1.5% of average load 0.117982 LDB: TIME 7442.58 LOAD: AVG 0.117982 MAX 0.205202 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.809 MB LDB: TIME 7442.58 LOAD: AVG 0.117982 MAX 0.205202 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.012 MB LDB: TIME 7442.58 LOAD: AVG 0.117982 MAX 0.205202 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.012 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7442.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7442.59 PRESSURE: 2468400 103.617 -53.2107 151.37 -53.2106 -19.3982 -0.704778 151.372 -0.705858 140.67 GPRESSURE: 2468400 126.429 -165.729 186.067 -8.25447 5.243 -81 76.1463 21.0475 188.906 PRESSAVG: 2468400 -24.1925 0.00308586 -33.227 0.00305103 18.1548 -36.5159 -33.227 -36.516 -29.3038 GPRESSAVG: 2468400 -23.6733 -1.86578 -33.1857 -0.916474 17.7208 -35.6178 -33.7552 -36.325 -29.5979 TIMING: 2468400 CPU: 7439.37, 0.00303111/step Wall: 7439.37, 0.00303111/step, 2.13154 hours remaining, 209.250000 MB of memory in use. ENERGY: 2468400 708.7897 2138.2694 1950.9003 107.1392 -206389.7388 17935.2334 0.0000 0.0000 34228.5273 -149320.8794 298.9262 -183549.4067 -149222.9992 298.7883 74.9629 106.8591 558518.7827 -11.7805 -11.8501 PRESSURE: 2468600 208.756 -1.18652 67.2923 -1.18636 -97.6749 -96.2449 67.2912 -96.2442 -105.325 GPRESSURE: 2468600 246.757 7.57187 32.9053 -84.5612 -49.0648 2.88606 95.9521 -109.564 -91.1208 PRESSAVG: 2468600 37.2108 -59.8684 19.0348 -59.8684 -18.5854 -30.1951 19.0348 -30.1953 3.05925 GPRESSAVG: 2468600 37.438 -58.292 18.7637 -61.9106 -19.1141 -30.7206 21.0543 -30.5683 3.37169 TIMING: 2468600 CPU: 7439.96, 0.00297404/step Wall: 7439.96, 0.00297404/step, 2.09125 hours remaining, 209.710938 MB of memory in use. ENERGY: 2468600 716.8561 2043.7439 1950.6404 116.1614 -206048.9986 17832.4173 0.0000 0.0000 34068.3310 -149320.8484 297.5272 -183389.1795 -149227.0713 298.4052 1.9189 35.5237 558706.2484 7.2282 7.2319 PRESSURE: 2468800 -30.8617 -48.594 -65.0941 -48.595 43.9158 9.16274 -65.0948 9.16386 -15.1113 GPRESSURE: 2468800 -13.6264 -99.2175 -90.6933 -55.2067 76.1077 -55.327 -99.9238 36.9146 15.3088 PRESSAVG: 2468800 -36.7123 15.6273 2.37569 15.6274 48.0682 -56.0113 2.37564 -56.0113 -27.9841 GPRESSAVG: 2468800 -37.5319 15.0874 3.01557 18.0778 48.7263 -54.7267 0.00732808 -58.5039 -28.2904 TIMING: 2468800 CPU: 7440.56, 0.00297693/step Wall: 7440.56, 0.00297693/step, 2.09311 hours remaining, 209.710938 MB of memory in use. ENERGY: 2468800 752.2449 2073.8702 1952.4091 102.8765 -206290.5130 17886.1909 0.0000 0.0000 34277.2792 -149245.6422 299.3520 -183522.9214 -149151.0346 298.7956 -0.6857 25.9300 557450.0234 -5.5427 -5.6987 PRESSURE: 2469000 -311.898 -213.587 23.0749 -213.587 -185.073 -86.8297 23.0758 -86.8308 61.4303 GPRESSURE: 2469000 -276.11 -149.036 -28.5259 -183.395 -156.906 -103.363 25.5058 -59.5168 85.9712 PRESSAVG: 2469000 1.84384 3.15666 -8.66337 3.15663 -4.82653 -6.72903 -8.66326 -6.72892 20.3683 GPRESSAVG: 2469000 2.16006 2.74209 -8.24803 3.16152 -5.04867 -7.86334 -7.71543 -5.28737 20.1497 TIMING: 2469000 CPU: 7441.15, 0.002973/step Wall: 7441.15, 0.002973/step, 2.09018 hours remaining, 209.710938 MB of memory in use. ENERGY: 2469000 714.2140 2205.0336 1929.2064 112.3069 -205817.6581 17509.0740 0.0000 0.0000 34094.8204 -149253.0029 297.7585 -183347.8233 -149157.2596 299.0471 -145.1803 -115.6815 558571.6126 5.7952 5.7537 PRESSURE: 2469200 -93.7368 83.8132 -60.8458 83.8133 -71.3348 2.45929 -60.8456 2.45824 -47.1199 GPRESSURE: 2469200 -104.1 26.1399 -65.2549 21.9503 -36.8094 8.88953 15.1578 34.5436 24.7018 PRESSAVG: 2469200 6.23784 -10.3498 -23.5559 -10.3499 64.4446 20.0723 -23.5559 20.0722 -56.1658 GPRESSAVG: 2469200 5.75951 -11.2342 -23.5416 -10.7705 64.1483 20.2753 -23.3244 21.0996 -56.1382 TIMING: 2469200 CPU: 7441.75, 0.00296675/step Wall: 7441.75, 0.00296675/step, 2.08563 hours remaining, 209.781250 MB of memory in use. ENERGY: 2469200 737.5153 2100.1757 1952.9230 115.2094 -205877.1482 17468.1056 0.0000 0.0000 34183.2119 -149320.0074 298.5305 -183503.2192 -149221.1231 299.6249 -70.7305 -38.7357 556373.9028 4.8389 4.5899 PRESSURE: 2469400 -5.94371 -88.8792 -0.633109 -88.8795 446.486 -55.4646 -0.632772 -55.4636 36.8571 GPRESSURE: 2469400 66.4558 -31.7322 -36.4095 -102.965 490.67 35.3226 34.5961 -118.468 30.0153 PRESSAVG: 2469400 -32.5506 3.39501 42.6488 3.39504 73.3911 49.1193 42.6488 49.1192 -30.9571 GPRESSAVG: 2469400 -32.4483 4.96491 41.0106 2.72317 72.6831 49.9778 45.4377 47.1649 -30.765 TIMING: 2469400 CPU: 7442.34, 0.00296649/step Wall: 7442.34, 0.00296649/step, 2.08528 hours remaining, 209.781250 MB of memory in use. ENERGY: 2469400 748.4914 2047.6484 1924.4288 109.8271 -206533.8126 17977.7394 0.0000 0.0000 34460.6613 -149265.0162 300.9535 -183725.6775 -149167.6952 299.0415 159.1332 195.7138 555801.3791 3.2945 3.1566 PRESSURE: 2469600 -173.9 -136.966 86.9084 -136.965 -193.042 -140.24 86.9087 -140.239 34.1083 GPRESSURE: 2469600 -141.351 -127.169 82.8826 -156.15 -149.422 -125.086 86.7923 -167.975 77.5929 PRESSAVG: 2469600 0.850259 -13.3175 -13.5397 -13.3174 66.1376 -4.71052 -13.5396 -4.71032 -22.8534 GPRESSAVG: 2469600 0.0685195 -13.2565 -10.6791 -12.5096 67.1963 -7.31874 -16.5653 -2.70973 -23.0479 TIMING: 2469600 CPU: 7442.94, 0.00297094/step Wall: 7442.94, 0.00297094/step, 2.08824 hours remaining, 209.984375 MB of memory in use. ENERGY: 2469600 697.9145 2050.0314 1952.4856 130.8983 -205933.1389 17582.2486 0.0000 0.0000 34151.2177 -149368.3428 298.2511 -183519.5605 -149265.1544 299.0545 -110.9445 -71.0601 558238.8854 14.7115 14.7390 PRESSURE: 2469800 -222.563 32.5399 -5.25263 32.54 72.8547 31.3035 -5.25224 31.3033 -162.251 GPRESSURE: 2469800 -175.278 36.1948 -36.8989 -9.99585 14.8374 8.51432 10.8834 57.1875 -47.379 PRESSAVG: 2469800 38.8875 -13.4556 -34.1646 -13.4556 -53.8485 15.0846 -34.1646 15.0845 -5.8407 GPRESSAVG: 2469800 39.3534 -16.0356 -35.2249 -11.5305 -55.6339 15.8118 -33.7955 15.9886 -5.15192 TIMING: 2469800 CPU: 7443.53, 0.00298497/step Wall: 7443.53, 0.00298497/step, 2.09794 hours remaining, 209.984375 MB of memory in use. ENERGY: 2469800 761.6426 2186.6509 1947.8298 131.9340 -206238.7437 17764.4288 0.0000 0.0000 34248.7214 -149197.5362 299.1026 -183446.2577 -149100.6835 299.0871 -103.9866 -69.2730 558353.2251 -6.9339 -7.1442 PRESSURE: 2470000 101.427 -73.6189 2.7035 -73.6202 -99.0231 93.4832 2.70421 93.4836 74.2014 GPRESSURE: 2470000 167.531 -67.8854 68.8905 29.6476 -40.0198 37.5999 -25.3164 149.975 36.1631 PRESSAVG: 2470000 -2.61099 8.46986 -53.9155 8.46986 16.7744 -13.0861 -53.9154 -13.086 -39.4605 GPRESSAVG: 2470000 -2.88642 11.3452 -53.1185 6.45084 17.9225 -10.8803 -52.8721 -13.9373 -40.6475 TIMING: 2470000 CPU: 7444.13, 0.0029929/step Wall: 7444.13, 0.0029929/step, 2.10335 hours remaining, 209.984375 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: 2470000 772.1401 2125.9453 1928.0845 118.5960 -206021.4159 17843.6768 0.0000 0.0000 34156.8161 -149076.1573 298.3000 -183232.9734 -148976.1733 299.3710 25.5350 54.5581 558110.9568 -8.4324 -8.5371 PRESSURE: 2470200 -67.6312 117.057 36.281 117.056 -52.3014 -183.285 36.281 -183.287 105.524 GPRESSURE: 2470200 -18.7927 161.912 -29.3155 131.672 42.9597 -222.052 53.1362 -157.65 57.0636 PRESSAVG: 2470200 -64.2598 14.4148 -21.6065 14.4149 32.1946 -21.1006 -21.6065 -21.1005 -17.8294 GPRESSAVG: 2470200 -65.2053 15.479 -24.1273 12.9511 32.1815 -22.9551 -20.1878 -20.4073 -16.6994 TIMING: 2470200 CPU: 7444.73, 0.00299086/step Wall: 7444.73, 0.00299086/step, 2.10174 hours remaining, 209.984375 MB of memory in use. ENERGY: 2470200 785.7228 2091.9777 1947.1710 104.7578 -205822.0641 17721.5161 0.0000 0.0000 34188.8096 -148982.1092 298.5794 -183170.9187 -148885.8145 299.8285 -4.8027 27.0769 558242.0551 -16.6315 -16.5744 PRESSURE: 2470400 -154.311 -58.4434 79.4667 -58.4445 54.8009 93.4604 79.4676 93.459 71.3712 GPRESSURE: 2470400 -161.907 -43.8329 45.5849 -100.351 112.538 99.5593 126.866 139.319 121.764 PRESSAVG: 2470400 -7.75257 16.0979 47.857 16.0979 -22.9532 -14.9973 47.857 -14.9973 21.2966 GPRESSAVG: 2470400 -6.38058 16.6159 47.4815 18.6588 -23.296 -13.7843 45.5697 -14.8605 20.5129 TIMING: 2470400 CPU: 7445.33, 0.0030031/step Wall: 7445.33, 0.0030031/step, 2.11018 hours remaining, 209.984375 MB of memory in use. ENERGY: 2470400 771.8209 2126.6781 1962.4996 116.1401 -206346.5205 17789.5787 0.0000 0.0000 34422.3302 -149157.4730 300.6188 -183579.8033 -149064.5177 300.6616 -9.3796 24.1316 554474.6745 -3.1364 -3.0546 PRESSURE: 2470600 -251.117 -125.844 11.4996 -125.844 -8.99185 75.1159 11.4995 75.1175 -120.199 GPRESSURE: 2470600 -193.3 -170.218 -118.393 -131.543 45.0472 145.71 110.389 -8.23511 -138.659 PRESSAVG: 2470600 -67.4918 -12.1999 4.79652 -12.2 30.1223 4.34673 4.7964 4.34676 14.3517 GPRESSAVG: 2470600 -67.7165 -11.89 5.8412 -13.1588 29.8557 4.17573 7.20514 3.96573 14.8103 TIMING: 2470600 CPU: 7445.93, 0.00298702/step Wall: 7445.93, 0.00298702/step, 2.09872 hours remaining, 209.984375 MB of memory in use. ENERGY: 2470600 807.7815 2066.2288 1964.9925 104.5675 -206152.6412 17828.5928 0.0000 0.0000 34181.2533 -149199.2248 298.5134 -183380.4781 -149106.1909 298.9711 -126.7694 -95.6371 556507.3861 -7.6726 -7.6835 PRESSURE: 2470800 257.942 3.8366 -4.11177 3.83714 -138.669 140.886 -4.11137 140.886 -55.6785 GPRESSURE: 2470800 227.775 -79.1219 -36.784 6.7348 -73.7396 105.949 -58.8006 126.299 8.01339 PRESSAVG: 2470800 62.3799 -6.34205 -40.4584 -6.34208 20.7498 60.9486 -40.4583 60.9486 -96.4635 GPRESSAVG: 2470800 62.5407 -7.72881 -40.4338 -6.49622 21.4879 60.2243 -41.2994 60.5222 -96.9732 TIMING: 2470800 CPU: 7446.52, 0.0029612/step Wall: 7446.52, 0.0029612/step, 2.08041 hours remaining, 209.984375 MB of memory in use. ENERGY: 2470800 746.4681 2123.1028 1937.3839 103.2788 -206169.9700 17881.7343 0.0000 0.0000 34242.7781 -149135.2239 299.0507 -183378.0020 -149026.8677 298.9148 21.1983 54.0164 557177.5336 -4.4446 -4.3149 PRESSURE: 2471000 100.964 -3.48837 -40.935 -3.48965 -78.2906 58.653 -40.934 58.6546 -178.578 GPRESSURE: 2471000 161.438 46.7316 4.57861 -99.78 -41.7396 74.0665 -151.046 48.4024 -180.219 PRESSAVG: 2471000 0.99046 18.7048 -8.21794 18.7047 10.033 20.2281 -8.21779 20.2282 -4.23982 GPRESSAVG: 2471000 0.488952 17.914 -6.49165 19.005 8.84653 20.2254 -9.6245 20.6535 -2.92841 TIMING: 2471000 CPU: 7447.12, 0.00299283/step Wall: 7447.12, 0.00299283/step, 2.10246 hours remaining, 209.984375 MB of memory in use. ENERGY: 2471000 714.1606 2148.3697 1934.0309 108.8285 -206207.2370 17809.6781 0.0000 0.0000 34274.9264 -149217.2428 299.3315 -183492.1693 -149122.5895 299.7935 -51.9682 -20.1734 557317.0051 2.2612 2.1357 PRESSURE: 2471200 126.831 -87.592 -56.6601 -87.5919 -47.5189 14.8241 -56.6592 14.8255 -90.9874 GPRESSURE: 2471200 149.502 -132.22 -124.575 -52.2814 9.76376 -67.2022 98.2362 53.816 -73.0196 PRESSAVG: 2471200 -0.393182 -10.3788 -21.5109 -10.3789 -25.2483 62.1509 -21.5109 62.1508 52.5615 GPRESSAVG: 2471200 -0.387312 -10.4145 -23.0951 -10.6149 -25.5301 62.9917 -21.6536 62.0192 53.0621 TIMING: 2471200 CPU: 7447.71, 0.00298014/step Wall: 7447.71, 0.00298014/step, 2.09339 hours remaining, 209.984375 MB of memory in use. ENERGY: 2471200 781.1326 2087.6380 1945.3833 109.4944 -206511.2189 17999.5805 0.0000 0.0000 34354.6112 -149233.3789 300.0274 -183587.9901 -149132.1642 298.9921 -3.8918 28.7488 557389.8094 8.9733 9.0482 PRESSURE: 2471400 -30.4427 114.839 93.6929 114.839 98.4214 49.8837 93.6916 49.8845 -122.637 GPRESSURE: 2471400 -8.01971 71.0472 76.7212 142.863 162.166 40.3076 45.6302 124.986 -108.74 PRESSAVG: 2471400 -28.7338 -31.4648 -21.7072 -31.4648 65.7577 29.4491 -21.7073 29.4492 -70.7039 GPRESSAVG: 2471400 -28.6398 -32.3599 -21.504 -33.7775 67.1351 29.6273 -19.6477 29.1678 -71.9399 TIMING: 2471400 CPU: 7448.31, 0.00297724/step Wall: 7448.31, 0.00297724/step, 2.09118 hours remaining, 209.984375 MB of memory in use. ENERGY: 2471400 765.1497 2045.8691 1943.9475 104.9773 -206225.7386 17883.7321 0.0000 0.0000 34283.8841 -149198.1789 299.4097 -183482.0630 -149097.7988 299.3492 -18.2196 15.1353 558323.4115 -11.2267 -11.1482 PRESSURE: 2471600 -149.532 -148.496 77.3134 -148.497 -272.81 139.75 77.3137 139.751 217.044 GPRESSURE: 2471600 -84.2566 -154.558 67.2293 -82.7133 -252.023 84.8636 58.0853 155.468 225.036 PRESSAVG: 2471600 10.5983 -26.8479 -87.4628 -26.8478 -26.7158 -30.9798 -87.4628 -30.9799 -21.6678 GPRESSAVG: 2471600 11.3857 -27.0042 -87.8244 -23.7978 -27.9409 -31.9865 -88.2693 -30.4301 -21.2111 TIMING: 2471600 CPU: 7448.9, 0.00297487/step Wall: 7448.9, 0.00297487/step, 2.08935 hours remaining, 209.984375 MB of memory in use. ENERGY: 2471600 747.2628 2078.7544 1949.4878 110.1517 -206058.3930 17792.9957 0.0000 0.0000 34240.5007 -149139.2399 299.0308 -183379.7405 -149044.2488 298.8805 -68.4326 -37.0811 557925.7656 -12.5951 -12.5888 PRESSURE: 2471800 -392.433 -59.494 -22.7302 -59.4931 21.3769 -204.126 -22.731 -204.129 -138.291 GPRESSURE: 2471800 -299.667 -147.156 -19.5685 -11.9427 19.3502 -181.532 9.57198 -141.784 -133.993 PRESSAVG: 2471800 -5.25691 -20.3534 6.26596 -20.3534 62.4205 72.2118 6.26595 72.2117 -21.9473 GPRESSAVG: 2471800 -5.79372 -19.6138 7.95857 -21.1018 62.2215 72.7139 4.64361 70.6822 -20.9431 TIMING: 2471800 CPU: 7449.5, 0.00298568/step Wall: 7449.5, 0.00298568/step, 2.09678 hours remaining, 209.984375 MB of memory in use. ENERGY: 2471800 753.4433 2062.4232 1937.8756 109.6319 -206151.4231 17635.8058 0.0000 0.0000 34424.5054 -149227.7379 300.6378 -183652.2433 -149128.9503 299.3849 -169.7824 -138.1032 557169.6738 11.7388 11.8282 PRESSURE: 2472000 -233.692 -108.394 -27.561 -108.395 -56.9842 -62.3512 -27.5613 -62.3519 -122.5 GPRESSURE: 2472000 -213.927 -173.206 25.0676 -101.93 -67.7673 -66.3098 -30.4628 27.7656 -41.1632 PRESSAVG: 2472000 61.8041 -5.81949 -31.0133 -5.81953 -37.2112 -12.7533 -31.0133 -12.7533 -2.35258 GPRESSAVG: 2472000 61.6696 -5.21324 -33.7041 -6.59306 -35.9979 -11.3702 -31.799 -12.0454 -2.99703 TIMING: 2472000 CPU: 7450.1, 0.00300694/step Wall: 7450.1, 0.00300694/step, 2.11154 hours remaining, 209.984375 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: 2472000 772.2307 2120.9214 1932.5731 92.5466 -206165.1483 17700.1166 0.0000 0.0000 34257.2018 -149289.5582 299.1767 -183546.7599 -149197.0471 298.8346 -137.7254 -107.6192 559448.3173 7.4134 7.5582 PRESSURE: 2472200 -111.978 -42.7506 138.989 -42.7509 74.5047 43.7115 138.988 43.7117 -42.6156 GPRESSURE: 2472200 -94.3873 -97.1888 206.402 -30.7176 81.0016 -12.4122 81.5194 100.194 32.6079 PRESSAVG: 2472200 35.233 30.8379 -3.40065 30.8378 -56.0375 36.6423 -3.40056 36.6423 -6.10897 GPRESSAVG: 2472200 35.0923 32.2184 -2.46974 29.5504 -56.0718 35.2036 -2.47501 36.8767 -6.08733 TIMING: 2472200 CPU: 7450.71, 0.00301162/step Wall: 7450.71, 0.00301162/step, 2.11466 hours remaining, 209.984375 MB of memory in use. ENERGY: 2472200 759.0712 2077.2665 1946.9195 103.6744 -206353.0087 17848.3066 0.0000 0.0000 34113.1739 -149504.5967 297.9188 -183617.7706 -149413.8145 298.0109 -26.6962 6.4074 557533.8685 -8.9712 -9.0223 LDB: ============= START OF LOAD BALANCING ============== 7454.23 LDB: ============== END OF LOAD BALANCING =============== 7454.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7454.23 LDB: ============= START OF LOAD BALANCING ============== 7454.53 LDB: Largest compute 4772 load 0.028425 is 24.1% of average load 0.118061 LDB: Average compute 0.001723 is 1.5% of average load 0.118061 LDB: TIME 7454.53 LOAD: AVG 0.118061 MAX 0.208703 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.516 MB LDB: TIME 7454.53 LOAD: AVG 0.118061 MAX 0.208703 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.516 MB LDB: TIME 7454.53 LOAD: AVG 0.118061 MAX 0.208703 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.516 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7454.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7454.54 PRESSURE: 2472400 -67.5646 119.078 222.272 119.078 -534.539 -64.7986 222.271 -64.7996 -152.685 GPRESSURE: 2472400 -38.0342 98.0667 216.852 52.2299 -484.305 -68.9227 187.681 -11.097 -137.048 PRESSAVG: 2472400 3.97819 9.57309 -6.13755 9.5731 -12.4674 -36.9521 -6.13752 -36.9521 37.7985 GPRESSAVG: 2472400 3.77511 9.15893 -4.12048 9.25114 -12.4487 -37.9712 -5.26873 -35.9523 37.9496 TIMING: 2472400 CPU: 7451.32, 0.00307098/step Wall: 7451.32, 0.00307098/step, 2.15617 hours remaining, 210.148438 MB of memory in use. ENERGY: 2472400 751.7947 2071.7601 1958.3753 115.3075 -206142.2164 17545.6104 0.0000 0.0000 34382.4647 -149316.9036 300.2706 -183699.3684 -149215.8043 298.8853 -251.5964 -219.7957 557815.0125 9.7698 9.7587 PRESSURE: 2472600 -109.871 -3.08402 39.8694 -3.08346 -99.1647 81.6123 39.8688 81.615 -112.277 GPRESSURE: 2472600 -94.0931 -109.415 70.0963 22.5931 -6.53225 93.9782 95.2937 25.433 -127.667 PRESSAVG: 2472600 -3.63212 32.9647 2.43714 32.9647 26.1396 29.9248 2.43708 29.9248 -27.275 GPRESSAVG: 2472600 -3.82325 34.3709 -0.720199 33.7582 26.4968 30.7729 1.47046 28.7982 -27.4874 TIMING: 2472600 CPU: 7451.92, 0.00299215/step Wall: 7451.92, 0.00299215/step, 2.10066 hours remaining, 210.148438 MB of memory in use. ENERGY: 2472600 713.9234 2095.8227 1945.9243 117.6309 -206094.6729 17722.2917 0.0000 0.0000 34151.4736 -149347.6063 298.2533 -183499.0799 -149246.6714 299.0625 -107.1040 -76.0975 557977.0383 -1.5892 -1.6046 PRESSURE: 2472800 -239.408 -84.2812 186.841 -84.2803 -96.2058 61.0194 186.841 61.0189 -60.7025 GPRESSURE: 2472800 -228.276 -24.959 197.113 -112.505 -53.1129 49.789 167.92 55.6457 -21.2048 PRESSAVG: 2472800 0.951188 -55.7003 53.3308 -55.7003 51.0365 -21.1399 53.3309 -21.1398 -55.1387 GPRESSAVG: 2472800 1.32518 -58.6214 53.4592 -52.481 51.1236 -21.0125 54.7195 -22.127 -55.6076 TIMING: 2472800 CPU: 7452.52, 0.00298521/step Wall: 7452.52, 0.00298521/step, 2.09562 hours remaining, 210.148438 MB of memory in use. ENERGY: 2472800 754.1583 2037.5070 1923.2499 110.7624 -206290.0458 17778.4358 0.0000 0.0000 34247.5909 -149438.3414 299.0927 -183685.9323 -149338.7117 298.8804 -132.1053 -100.8646 559477.2706 -1.0504 -1.0529 PRESSURE: 2473000 -198.037 -81.1105 -30.4659 -81.1107 65.993 2.48136 -30.466 2.48246 -269.578 GPRESSURE: 2473000 -158.043 -97.0983 -33.3008 13.0452 69.5222 77.3161 12.1605 -82.7157 -210.866 PRESSAVG: 2473000 -55.9172 1.18267 -9.53343 1.1826 1.38511 -15.1113 -9.53338 -15.1114 38.338 GPRESSAVG: 2473000 -55.3879 1.8381 -8.16267 -1.26731 0.0515282 -12.3443 -9.15662 -16.3015 39.0078 TIMING: 2473000 CPU: 7453.12, 0.0030064/step Wall: 7453.12, 0.0030064/step, 2.11033 hours remaining, 210.148438 MB of memory in use. ENERGY: 2473000 760.3504 2083.1188 1917.0465 111.0432 -206109.6903 17635.8746 0.0000 0.0000 34280.0131 -149322.2436 299.3759 -183602.2567 -149213.9904 298.9264 -133.8740 -99.7954 558796.4090 -5.3980 -5.4428 PRESSURE: 2473200 -181.057 102.208 -189.062 102.208 -128.738 51.7144 -189.061 51.7136 -82.1557 GPRESSURE: 2473200 -121.148 2.05382 -145.224 91.0756 -100.049 44.7977 -178.307 57.1487 -78.3403 PRESSAVG: 2473200 49.1847 11.3879 34.2463 11.3879 15.6566 0.349889 34.2462 0.34976 -48.4428 GPRESSAVG: 2473200 48.952 12.1247 33.9438 9.53636 16.042 -3.26181 31.7937 0.207327 -49.0883 TIMING: 2473200 CPU: 7453.72, 0.00301437/step Wall: 7453.72, 0.00301437/step, 2.11575 hours remaining, 210.148438 MB of memory in use. ENERGY: 2473200 781.4111 2042.5247 1896.0722 109.3799 -205954.8290 17653.1173 0.0000 0.0000 34369.8084 -149102.5154 300.1601 -183472.3238 -149006.9230 299.7142 -130.6501 -99.8457 558808.1750 5.4662 5.3019 PRESSURE: 2473400 -37.1961 87.5154 18.7507 87.5157 -234.869 -14.2966 18.7507 -14.295 -137.824 GPRESSURE: 2473400 5.34313 64.1356 -44.7184 56.5876 -184.416 -67.3059 -8.72436 -32.3659 -135.831 PRESSAVG: 2473400 35.9664 14.0486 -31.3122 14.0485 -69.5921 -19.4969 -31.3122 -19.4969 49.7986 GPRESSAVG: 2473400 36.9464 12.7644 -32.1159 16.9087 -70.8619 -19.4183 -30.9439 -16.2841 49.5459 TIMING: 2473400 CPU: 7454.32, 0.00302475/step Wall: 7454.32, 0.00302475/step, 2.12287 hours remaining, 210.148438 MB of memory in use. ENERGY: 2473400 713.0350 2090.2885 1911.8368 121.6144 -205942.7366 17627.9963 0.0000 0.0000 34255.2385 -149222.7271 299.1595 -183477.9656 -149125.5002 299.9412 -136.6299 -104.9681 556651.8049 5.3910 5.2101 PRESSURE: 2473600 110.494 18.9789 -104.826 18.9783 -13.2822 -39.0989 -104.826 -39.0979 90.742 GPRESSURE: 2473600 159.942 -43.7203 -33.4951 44.0109 -5.37658 15.2107 -160.17 -70.3293 132.795 PRESSAVG: 2473600 60.1174 12.6104 21.3241 12.6105 -26.6001 26.8602 21.3241 26.8602 15.2416 GPRESSAVG: 2473600 59.496 11.5345 22.0396 12.2103 -26.5589 27.6519 21.7128 25.7007 15.9432 TIMING: 2473600 CPU: 7454.93, 0.00300781/step Wall: 7454.93, 0.00300781/step, 2.11082 hours remaining, 210.148438 MB of memory in use. ENERGY: 2473600 747.9451 2074.5798 1923.8422 118.1990 -206041.1783 17850.3045 0.0000 0.0000 34250.0505 -149076.2574 299.1142 -183326.3079 -148979.6844 299.5928 62.6513 95.7869 557129.7657 16.2530 16.2934 PRESSURE: 2473800 -24.9789 -39.6875 -15.5218 -39.6882 -17.6451 -8.84084 -15.5224 -8.84094 -65.4247 GPRESSURE: 2473800 -27.6393 -8.11078 71.7953 -48.1291 34.5896 8.30418 -52.679 -8.43497 -10.0863 PRESSAVG: 2473800 -27.9999 -43.8924 8.13511 -43.8925 44.2118 0.757128 8.13506 0.757189 -29.1092 GPRESSAVG: 2473800 -28.9323 -42.9175 6.92777 -43.3966 43.5346 -0.893846 9.86342 1.77042 -28.1063 TIMING: 2473800 CPU: 7455.52, 0.00298388/step Wall: 7455.52, 0.00298388/step, 2.09386 hours remaining, 210.148438 MB of memory in use. ENERGY: 2473800 759.7248 2089.1285 1894.9236 98.3258 -206216.4050 17898.5336 0.0000 0.0000 34410.6984 -149065.0704 300.5172 -183475.7687 -148968.0937 300.1170 -36.0162 -1.0453 557330.5069 -4.2991 -4.5013 PRESSURE: 2474000 -248.281 20.4848 -68.7011 20.4858 -20.6135 36.0898 -68.7018 36.0894 -309.774 GPRESSURE: 2474000 -253.705 -72.5457 -105.556 76.6131 -29.0549 11.6073 -126.831 116.291 -206.281 PRESSAVG: 2474000 8.44094 -29.0261 -17.9471 -29.026 24.054 -28.6892 -17.9472 -28.6893 15.034 GPRESSAVG: 2474000 9.61056 -27.6832 -17.2645 -31.8806 24.3898 -27.2248 -19.2227 -30.8623 13.6398 TIMING: 2474000 CPU: 7456.12, 0.0030015/step Wall: 7456.12, 0.0030015/step, 2.10605 hours remaining, 210.148438 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: 2474000 769.1903 2116.7399 1892.0874 118.2422 -206127.3111 17547.7885 0.0000 0.0000 34340.0384 -149343.2244 299.9001 -183683.2628 -149245.9288 299.8285 -192.8894 -163.0136 557083.2419 15.8430 15.8800 PRESSURE: 2474200 12.0397 27.9434 -147.465 27.9436 21.5576 167.293 -147.465 167.294 -183.114 GPRESSURE: 2474200 31.6386 20.4634 -172.82 58.1924 61.9301 157.785 -133.114 153.985 -157.957 PRESSAVG: 2474200 40.6265 33.0886 -28.1416 33.0886 -32.4625 -41.1566 -28.1415 -41.1566 -19.7319 GPRESSAVG: 2474200 38.3168 33.4063 -26.0891 32.4251 -31.0493 -41.2397 -29.7165 -38.6666 -19.089 TIMING: 2474200 CPU: 7456.72, 0.00299101/step Wall: 7456.72, 0.00299101/step, 2.09852 hours remaining, 210.148438 MB of memory in use. ENERGY: 2474200 741.5393 2107.4717 1924.4756 120.6862 -205971.6174 17699.4052 0.0000 0.0000 34001.5467 -149376.4927 296.9440 -183378.0394 -149284.5420 299.3914 -49.8391 -21.4627 558465.9191 -3.8560 -3.9405 PRESSURE: 2474400 -96.1161 27.1762 19.3675 27.1759 166.222 49.7741 19.367 49.7733 173.445 GPRESSURE: 2474400 -99.0711 59.007 88.577 51.9273 177.417 29.175 -44.4955 0.780239 260.302 PRESSAVG: 2474400 22.6012 -14.4756 -1.5811 -14.4755 -27.4867 -0.221399 -1.5811 -0.221314 60.6327 GPRESSAVG: 2474400 22.4524 -15.8675 -3.66701 -13.3151 -28.4793 0.85762 0.792324 -2.63594 61.2486 TIMING: 2474400 CPU: 7457.32, 0.00298844/step Wall: 7457.32, 0.00298844/step, 2.09655 hours remaining, 210.148438 MB of memory in use. ENERGY: 2474400 772.0687 2146.5266 1917.5304 111.1787 -206469.8386 17875.8706 0.0000 0.0000 34029.6030 -149617.0605 297.1890 -183646.6635 -149525.0254 298.5496 81.1839 112.8826 555615.8078 18.5824 18.4073 PRESSURE: 2474600 -9.24637 60.9412 127.399 60.9412 133.21 164.396 127.398 164.396 -144.934 GPRESSURE: 2474600 3.54675 86.0497 116.657 66.365 224.737 234.917 179.796 184.136 -147.667 PRESSAVG: 2474600 -80.1799 14.415 28.4364 14.415 60.9527 29.494 28.4364 29.4941 57.0877 GPRESSAVG: 2474600 -78.9465 15.1212 31.5581 15.3169 60.4013 28.241 27.2153 30.3848 56.7383 TIMING: 2474600 CPU: 7457.92, 0.00302237/step Wall: 7457.92, 0.00302237/step, 2.12019 hours remaining, 210.148438 MB of memory in use. ENERGY: 2474600 739.9668 2090.8218 1917.0831 121.7075 -206141.6357 17717.3335 0.0000 0.0000 34121.3647 -149433.3585 297.9904 -183554.7232 -149330.4904 298.0832 -6.9901 26.8721 555495.3064 12.6202 12.7310 PRESSURE: 2474800 -220.069 -120.343 -61.1596 -120.344 3.78512 34.489 -61.1582 34.4887 116.249 GPRESSURE: 2474800 -156.102 -160.171 -11.0277 -84.384 15.7566 44.2441 -82.499 45.4923 136.91 PRESSAVG: 2474800 -85.8365 4.12333 44.5343 4.12329 31.092 10.8997 44.5344 10.8997 63.4155 GPRESSAVG: 2474800 -86.4821 3.74925 42.6851 2.67369 30.6488 11.1364 45.0388 11.5219 64.0247 TIMING: 2474800 CPU: 7458.52, 0.00300694/step Wall: 7458.52, 0.00300694/step, 2.1092 hours remaining, 210.214844 MB of memory in use. ENERGY: 2474800 748.0182 2118.6984 1941.5377 111.8377 -206212.1399 17790.4149 0.0000 0.0000 34251.0391 -149250.5939 299.1228 -183501.6330 -149154.2431 299.7515 -33.3449 -1.1453 557024.2914 2.8903 2.7305 PRESSURE: 2475000 -115.915 -51.0558 103.052 -51.0564 -76.4264 68.7513 103.053 68.7511 60.7364 GPRESSURE: 2475000 -138.252 -84.2051 109.11 35.6826 -51.654 157.849 138.392 -55.8764 145.515 PRESSAVG: 2475000 -33.7826 -57.9118 34.3715 -57.9119 -57.6572 13.2719 34.3715 13.2719 75.4857 GPRESSAVG: 2475000 -34.3665 -55.8011 34.5506 -57.5012 -57.1947 13.6489 33.3151 12.1754 75.318 TIMING: 2475000 CPU: 7459.12, 0.00299994/step Wall: 7459.12, 0.00299994/step, 2.10413 hours remaining, 210.214844 MB of memory in use. ENERGY: 2475000 761.5157 2097.9285 1960.3405 116.5249 -206259.3863 17795.1220 0.0000 0.0000 34282.9874 -149244.9673 299.4019 -183527.9547 -149152.7106 299.6061 -43.8684 -14.7971 558575.4075 -5.3180 -5.4144 PRESSURE: 2475200 0.0562225 -75.8294 -28.8834 -75.8295 -65.6273 87.3838 -28.8841 87.3841 -332.123 GPRESSURE: 2475200 16.199 -85.2109 -5.54227 -117.784 -88.7257 51.0521 -21.6213 99.3989 -222.208 PRESSAVG: 2475200 -15.0112 -24.3639 21.902 -24.3639 25.029 -28.2777 21.9019 -28.2776 -5.8961 GPRESSAVG: 2475200 -14.4393 -27.2546 21.7361 -21.586 24.7712 -27.7007 20.7917 -28.1589 -5.9086 TIMING: 2475200 CPU: 7459.73, 0.0030138/step Wall: 7459.73, 0.0030138/step, 2.11368 hours remaining, 210.214844 MB of memory in use. ENERGY: 2475200 795.8079 2105.7686 1936.9689 114.7136 -206249.6938 17875.1578 0.0000 0.0000 34280.3741 -149140.9028 299.3790 -183421.2769 -149048.5343 299.9289 -132.5649 -98.2448 558869.9408 1.3739 1.4744 PRESSURE: 2475400 -198.699 -26.7802 159.062 -26.7791 -261.637 82.8323 159.06 82.8321 78.2705 GPRESSURE: 2475400 -149.744 -75.7468 199.852 5.75851 -202.667 -3.38355 88.6046 156.046 65.7063 PRESSAVG: 2475400 -25.4097 -63.804 -16.7524 -63.804 -42.4671 -31.0283 -16.7524 -31.0283 98.2211 GPRESSAVG: 2475400 -25.6694 -63.4423 -14.8853 -64.7582 -41.8024 -30.0297 -17.9786 -31.2786 97.5597 TIMING: 2475400 CPU: 7460.32, 0.0029838/step Wall: 7460.32, 0.0029838/step, 2.09247 hours remaining, 210.214844 MB of memory in use. ENERGY: 2475400 747.2052 2072.1880 1978.8892 116.3075 -206264.5018 17783.7391 0.0000 0.0000 34315.1430 -149251.0299 299.6827 -183566.1729 -149156.5757 299.4804 -127.3552 -95.5680 557286.5104 10.1147 10.0293 PRESSURE: 2475600 -130.105 -52.6175 -113.479 -52.6175 5.96605 -147.016 -113.478 -147.017 137.035 GPRESSURE: 2475600 -94.6213 -129.405 -83.5979 -86.371 52.9493 -68.8346 -102.862 -280.311 159.888 PRESSAVG: 2475600 -66.8626 21.2104 -17.2564 21.2104 18.6331 15.9856 -17.2564 15.9856 26.3456 GPRESSAVG: 2475600 -67.4597 21.2432 -21.0398 21.108 18.4201 14.8837 -13.8622 16.5943 27.2829 TIMING: 2475600 CPU: 7460.92, 0.00297369/step Wall: 7460.92, 0.00297369/step, 2.08522 hours remaining, 210.214844 MB of memory in use. ENERGY: 2475600 740.4223 2048.7529 1926.2711 119.2356 -206418.0224 17925.4017 0.0000 0.0000 34350.6187 -149307.3199 299.9925 -183657.9387 -149213.8757 299.2679 4.2988 39.4054 557140.5871 -7.2946 -7.2522 PRESSURE: 2475800 -28.3008 125.893 146.157 125.893 41.607 31.4536 146.157 31.4531 -26.9557 GPRESSURE: 2475800 41.5179 97.6351 -11.3627 116.323 40.4553 18.3781 204.923 0.383562 -0.0213225 PRESSAVG: 2475800 -65.3691 62.2384 12.0006 62.2384 3.8639 -13.0255 12.0006 -13.0255 29.3973 GPRESSAVG: 2475800 -65.9191 62.6135 13.3545 60.5798 3.98926 -13.1971 9.67426 -12.2912 29.7752 TIMING: 2475800 CPU: 7461.52, 0.00300803/step Wall: 7461.52, 0.00300803/step, 2.10913 hours remaining, 210.214844 MB of memory in use. ENERGY: 2475800 733.1899 2072.9214 1947.1721 111.2225 -206136.0909 17793.2410 0.0000 0.0000 34295.9144 -149182.4295 299.5148 -183478.3439 -149085.8767 298.8433 -4.5498 27.3173 557734.8892 -10.7026 -10.7182 PRESSURE: 2476000 147.998 -58.0729 -18.3938 -58.0723 -109.464 -48.4237 -18.3928 -48.4258 173.678 GPRESSURE: 2476000 234.393 -99.1912 14.2238 -44.7955 -118.971 51.2287 -38.74 -120.316 192.649 PRESSAVG: 2476000 -44.8963 73.6354 11.3648 73.6355 14.2085 -13.2303 11.3649 -13.2303 34.9052 GPRESSAVG: 2476000 -42.6299 74.4713 10.8603 72.6541 13.5556 -13.977 13.2999 -13.9632 33.8841 TIMING: 2476000 CPU: 7462.12, 0.00297634/step Wall: 7462.12, 0.00297634/step, 2.08675 hours remaining, 210.214844 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: 2476000 747.7641 2085.6242 1941.9395 110.3284 -206474.1005 17957.3880 0.0000 0.0000 34182.0098 -149449.0465 298.5200 -183631.0562 -149346.4027 299.5775 70.7373 102.6907 556340.1999 1.4058 1.6033 PRESSURE: 2476200 78.95 88.8123 8.74323 88.8123 130.992 -106.266 8.74082 -106.266 -153.107 GPRESSURE: 2476200 137.911 145.545 -49.2569 71.1319 148.981 -182.674 111.669 -107.062 -146.932 PRESSAVG: 2476200 64.7194 20.5521 26.68 20.552 -26.782 46.6015 26.68 46.6015 -15.1179 GPRESSAVG: 2476200 63.6772 19.7967 24.8029 22.0132 -25.7682 45.7033 27.3421 48.6053 -14.5441 TIMING: 2476200 CPU: 7462.71, 0.0029653/step Wall: 7462.71, 0.0029653/step, 2.07884 hours remaining, 210.214844 MB of memory in use. ENERGY: 2476200 755.1605 2112.6438 1940.6360 95.3947 -206410.6683 17774.4299 0.0000 0.0000 34255.4484 -149476.9549 299.1614 -183732.4033 -149376.3905 298.2204 18.9450 46.6535 557844.6375 7.6065 7.7883 LDB: ============= START OF LOAD BALANCING ============== 7466.22 LDB: ============== END OF LOAD BALANCING =============== 7466.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7466.22 LDB: ============= START OF LOAD BALANCING ============== 7466.52 LDB: Largest compute 4800 load 0.029003 is 24.6% of average load 0.117968 LDB: Average compute 0.001726 is 1.5% of average load 0.117968 LDB: TIME 7466.53 LOAD: AVG 0.117968 MAX 0.206474 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.637 MB LDB: TIME 7466.53 LOAD: AVG 0.117968 MAX 0.206474 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.84 MB LDB: TIME 7466.53 LOAD: AVG 0.117968 MAX 0.206474 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.84 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7466.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7466.53 PRESSURE: 2476400 49.6207 23.3615 -19.173 23.3614 -77.6551 -34.3534 -19.1732 -34.3531 11.1028 GPRESSURE: 2476400 66.4709 -36.1356 33.8498 -36.8938 -62.9778 -41.6759 -57.1228 -61.8194 63.3094 PRESSAVG: 2476400 -1.76747 14.4687 -14.0486 14.4687 -4.48198 -38.6478 -14.0486 -38.6477 12.5304 GPRESSAVG: 2476400 -2.31702 13.7545 -12.2503 14.8921 -4.9387 -38.0179 -15.1817 -39.7397 13.3276 TIMING: 2476400 CPU: 7463.32, 0.00303403/step Wall: 7463.32, 0.00303403/step, 2.12685 hours remaining, 208.285156 MB of memory in use. ENERGY: 2476400 751.1080 2090.4539 1930.9505 112.3084 -206515.5976 17935.5451 0.0000 0.0000 34263.3615 -149431.8703 299.2305 -183695.2318 -149334.1925 299.1040 -5.6439 22.2675 557908.4643 2.0937 2.0240 PRESSURE: 2476600 -220.539 53.3721 11.8207 53.3701 27.5968 157.518 11.8213 157.517 -50.3175 GPRESSURE: 2476600 -156.127 60.0789 -6.47313 81.8737 -1.57177 149.397 -5.61013 170.141 12.1439 PRESSAVG: 2476600 27.3895 -11.3145 -33.0319 -11.3145 -4.13148 4.37169 -33.0318 4.37165 -0.68145 GPRESSAVG: 2476600 27.6254 -10.8891 -29.9976 -10.7999 -4.5243 3.54465 -35.5064 3.33704 -0.671596 TIMING: 2476600 CPU: 7463.92, 0.00300448/step Wall: 7463.92, 0.00300448/step, 2.10597 hours remaining, 208.285156 MB of memory in use. ENERGY: 2476600 791.1126 2029.7393 1945.6521 114.1652 -206150.2935 17707.6118 0.0000 0.0000 34054.2561 -149507.7566 297.4043 -183562.0126 -149412.4713 298.1058 -81.0864 -48.5183 556866.4107 7.5255 7.4765 PRESSURE: 2476800 -155.584 50.8521 -1.06275 50.8512 -59.1843 127.596 -1.06465 127.595 -197.092 GPRESSURE: 2476800 -148.91 45.6003 77.1084 35.3843 12.7312 152.587 -78.1616 160.849 -176.982 PRESSAVG: 2476800 -14.9343 -8.87665 6.04235 -8.87667 -4.14922 -11.4089 6.04242 -11.4088 -15.1671 GPRESSAVG: 2476800 -14.6853 -7.74256 4.73215 -10.6587 -3.64782 -12.2084 7.85606 -10.852 -15.9496 TIMING: 2476800 CPU: 7464.52, 0.00299731/step Wall: 7464.52, 0.00299731/step, 2.10078 hours remaining, 208.285156 MB of memory in use. ENERGY: 2476800 742.4640 2077.3062 1935.7212 117.0561 -206340.0805 17732.9187 0.0000 0.0000 34110.8240 -149623.7904 297.8983 -183734.6144 -149519.6965 297.8609 -137.2869 -104.3869 557936.6106 -11.4169 -11.4276 PRESSURE: 2477000 37.1497 -182.99 94.2522 -182.989 -140.669 -29.6735 94.2514 -29.6719 -91.9915 GPRESSURE: 2477000 59.2361 -111.307 132.685 -118.175 -131.042 18.8816 83.1507 -26.8485 -34.7762 PRESSAVG: 2477000 -16.0948 0.895966 -30.56 0.895884 45.3059 -0.482445 -30.56 -0.482437 -5.50224 GPRESSAVG: 2477000 -16.3783 0.0367635 -30.9051 1.37512 45.6149 0.674227 -31.0954 -1.058 -5.90249 TIMING: 2477000 CPU: 7465.12, 0.00300954/step Wall: 7465.12, 0.00300954/step, 2.10919 hours remaining, 208.285156 MB of memory in use. ENERGY: 2477000 795.6121 2108.9370 1937.9163 113.0094 -206520.7776 17771.1114 0.0000 0.0000 34185.5358 -149608.6556 298.5508 -183794.1914 -149518.7973 298.4701 -65.1702 -35.5274 556871.7798 7.9030 7.7781 PRESSURE: 2477200 25.5268 43.1547 -28.7473 43.1541 -83.6393 -44.7558 -28.7469 -44.7561 -102.803 GPRESSURE: 2477200 95.7015 30.1818 -87.7346 20.1729 -83.3206 28.1954 33.0659 -38.1569 -84.5327 PRESSAVG: 2477200 26.2865 -17.2261 -10.8291 -17.2261 22.4397 -4.724 -10.829 -4.72394 -19.8506 GPRESSAVG: 2477200 26.4479 -16.3613 -10.7837 -16.3425 23.0308 -4.06541 -10.7162 -6.26894 -19.7678 TIMING: 2477200 CPU: 7465.72, 0.00300807/step Wall: 7465.72, 0.00300807/step, 2.10799 hours remaining, 208.285156 MB of memory in use. ENERGY: 2477200 724.4383 2107.3473 1934.0957 111.7748 -206247.8544 17754.8441 0.0000 0.0000 34159.8946 -149455.4595 298.3269 -183615.3541 -149357.4928 298.7595 -53.6384 -24.0506 558520.6566 9.6252 9.9036 PRESSURE: 2477400 60.7086 74.047 10.6263 74.0477 194.654 -6.82583 10.6258 -6.82511 101.582 GPRESSURE: 2477400 99.3285 45.4897 -42.2449 164.338 163.929 -29.8974 29.2006 -45.1613 192.029 PRESSAVG: 2477400 22.0795 -19.8133 -15.6266 -19.8131 72.6796 23.7215 -15.6266 23.7215 -87.5445 GPRESSAVG: 2477400 22.4826 -21.8788 -17.3294 -19.0414 72.6312 24.6253 -14.0775 22.8797 -87.5364 TIMING: 2477400 CPU: 7466.32, 0.00298734/step Wall: 7466.32, 0.00298734/step, 2.0933 hours remaining, 208.285156 MB of memory in use. ENERGY: 2477400 735.4520 2162.6412 1920.7130 114.2744 -206610.6064 18136.5265 0.0000 0.0000 34321.2644 -149219.7350 299.7361 -183540.9994 -149120.8832 298.8775 118.9812 151.7623 557511.6874 2.4049 2.5258 PRESSURE: 2477600 -6.21446 -50.2959 -59.9368 -50.2955 4.73757 -121.328 -59.9367 -121.327 -71.93 GPRESSURE: 2477600 16.5964 -90.3089 -93.1076 -42.4618 18.0573 -93.5433 30.1929 -65.4189 -16.7298 PRESSAVG: 2477600 22.0079 -43.3859 -0.639792 -43.3859 36.4494 4.96349 -0.639839 4.96353 -28.0598 GPRESSAVG: 2477600 21.3306 -42.3219 0.602265 -44.2403 36.6652 3.27609 -1.36947 6.51206 -28.2008 TIMING: 2477600 CPU: 7466.91, 0.00298981/step Wall: 7466.91, 0.00298981/step, 2.09486 hours remaining, 208.285156 MB of memory in use. ENERGY: 2477600 762.2166 2135.6330 1945.2011 106.5950 -205995.0486 17852.3793 0.0000 0.0000 34040.2944 -149152.7292 297.2824 -183193.0236 -149054.4024 299.5633 -24.4690 5.9746 559795.8069 10.1325 9.9317 PRESSURE: 2477800 -187.097 -45.4642 -55.2961 -45.4646 -81.8619 -21.8208 -55.297 -21.8228 -455.214 GPRESSURE: 2477800 -190.996 -21.9724 -43.6077 -62.4157 -8.01827 -13.5815 -29.7951 12.5536 -436.406 PRESSAVG: 2477800 1.61786 5.10361 4.33124 5.10367 27.7232 22.9073 4.33117 22.9073 -10.9768 GPRESSAVG: 2477800 3.33014 7.87423 5.63197 4.51103 26.0674 22.5846 3.47452 23.0421 -10.7101 TIMING: 2477800 CPU: 7467.51, 0.00297625/step Wall: 7467.51, 0.00297625/step, 2.08519 hours remaining, 208.285156 MB of memory in use. ENERGY: 2477800 759.3342 2085.4975 1909.6451 109.5032 -205808.2464 17650.2180 0.0000 0.0000 34134.8006 -149159.2478 298.1077 -183294.0484 -149059.9274 298.3476 -241.3910 -211.8069 558710.8991 6.1214 6.2291 PRESSURE: 2478000 146.079 28.7881 181.777 28.7885 202.118 -2.2073 181.777 -2.21013 -148.972 GPRESSURE: 2478000 183.111 -1.88884 177.899 46.4979 201.043 47.7711 243.696 -59.7014 -87.9405 PRESSAVG: 2478000 54.3687 26.2167 10.7016 26.2167 12.4001 47.4167 10.7015 47.4167 -49.027 GPRESSAVG: 2478000 54.0095 22.3477 8.07349 26.9919 13.4036 48.7759 13.8756 46.1601 -50.0439 TIMING: 2478000 CPU: 7468.1, 0.00297196/step Wall: 7468.1, 0.00297196/step, 2.08202 hours remaining, 208.285156 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: 2478000 728.2262 2043.7833 1940.8592 115.3311 -206607.4129 18062.4251 0.0000 0.0000 34423.5351 -149293.2530 300.6293 -183716.7881 -149193.0456 299.6277 66.4083 98.7377 558143.4147 5.9140 5.7897 PRESSURE: 2478200 -230.859 -123.13 131.206 -123.129 29.9209 -1.4636 131.206 -1.46339 -69.7332 GPRESSURE: 2478200 -186.879 -145.556 165.72 -60.0847 13.6662 -20.7354 129.822 -85.3252 -8.84454 PRESSAVG: 2478200 1.39679 23.2038 19.4808 23.2037 -58.6535 31.4726 19.4808 31.4725 47.1694 GPRESSAVG: 2478200 0.118708 24.8631 20.2997 24.1081 -58.8536 30.6672 16.3168 30.8933 48.9887 TIMING: 2478200 CPU: 7468.7, 0.00299085/step Wall: 7468.7, 0.00299085/step, 2.09509 hours remaining, 208.285156 MB of memory in use. ENERGY: 2478200 749.0561 2075.0218 1929.6722 115.1579 -205906.0927 17627.7111 0.0000 0.0000 34147.1404 -149262.3332 298.2155 -183409.4736 -149165.2978 298.7697 -90.2236 -60.6856 556906.8497 -3.3624 -3.2487 PRESSURE: 2478400 49.9596 -172.934 -90.0145 -172.933 64.0696 28.8131 -90.0152 28.813 -31.3684 GPRESSURE: 2478400 16.7148 -166.078 -162.862 -89.0277 162.528 75.1583 -105.269 9.62189 21.5931 PRESSAVG: 2478400 -3.18975 0.952405 23.6895 0.952382 -5.82044 46.3223 23.6894 46.3221 20.7011 GPRESSAVG: 2478400 -2.86894 0.757979 22.9935 0.270597 -5.17418 44.8377 24.6732 48.2434 20.052 TIMING: 2478400 CPU: 7469.3, 0.00296222/step Wall: 7469.3, 0.00296222/step, 2.07487 hours remaining, 208.285156 MB of memory in use. ENERGY: 2478400 719.2857 2097.8518 1973.4655 124.1080 -206294.4114 17900.0099 0.0000 0.0000 34251.1861 -149228.5044 299.1241 -183479.6906 -149134.1607 299.3666 27.5536 66.9453 556978.5249 3.8970 4.0030 PRESSURE: 2478600 -137.411 170.484 -46.3132 170.484 -229.503 -38.5879 -46.3143 -38.5877 -272.703 GPRESSURE: 2478600 -42.8148 115.533 -81.4728 188.627 -194.523 -49.4735 -72.5345 -18.0356 -289.447 PRESSAVG: 2478600 41.4732 20.8752 20.7233 20.8751 2.01798 24.2296 20.7233 24.2295 -33.8951 GPRESSAVG: 2478600 42.8121 20.5461 21.0613 19.7799 0.915733 26.4109 20.8858 23.6844 -34.7999 TIMING: 2478600 CPU: 7469.89, 0.0029835/step Wall: 7469.89, 0.0029835/step, 2.08961 hours remaining, 208.285156 MB of memory in use. ENERGY: 2478600 774.8861 2068.8487 1930.9340 103.7047 -206102.8865 17639.0484 0.0000 0.0000 34309.0493 -149276.4153 299.6295 -183585.4645 -149177.4572 299.6545 -213.2057 -175.5950 557036.4388 3.1987 2.9760 PRESSURE: 2478800 -50.5629 32.8002 -144.795 32.7992 -120.375 42.0888 -144.794 42.0879 -125.666 GPRESSURE: 2478800 24.4485 7.27159 -126.137 -32.3849 -74.5065 57.0522 -138.766 -16.0218 -154.319 PRESSAVG: 2478800 -22.6287 22.7655 21.4308 22.7654 35.9356 17.3359 21.4308 17.336 -22.7616 GPRESSAVG: 2478800 -23.9348 22.8631 22.198 22.8526 36.4031 17.3431 21.0822 17.1338 -21.8837 TIMING: 2478800 CPU: 7470.49, 0.00298403/step Wall: 7470.49, 0.00298403/step, 2.08981 hours remaining, 208.285156 MB of memory in use. ENERGY: 2478800 768.2188 2081.0087 1941.3321 124.0084 -206235.8101 17718.8374 0.0000 0.0000 34372.9992 -149229.4054 300.1880 -183602.4047 -149135.3157 299.1865 -98.8678 -68.1256 557389.9886 -3.1515 -3.1385 PRESSURE: 2479000 -480.794 -74.7612 -19.6569 -74.7596 4.75784 193.85 -19.6563 193.852 55.0778 GPRESSURE: 2479000 -446.879 -131.446 -73.2214 -84.2369 39.8019 243.543 37.188 98.096 69.6962 PRESSAVG: 2479000 11.7728 76.2724 1.04302 76.2723 -16.7247 46.9351 1.04304 46.9352 76.6103 GPRESSAVG: 2479000 12.1546 76.7089 0.408667 74.5127 -16.7767 48.2146 0.325108 47.1791 76.0925 TIMING: 2479000 CPU: 7471.08, 0.00296285/step Wall: 7471.08, 0.00296285/step, 2.07482 hours remaining, 208.285156 MB of memory in use. ENERGY: 2479000 752.9286 2142.9100 1955.6209 109.3838 -205715.0611 17471.4343 0.0000 0.0000 34197.8052 -149084.9784 298.6579 -183282.7836 -148981.4356 300.1463 -140.3195 -112.4605 556805.4623 23.8861 23.8234 PRESSURE: 2479200 -46.5865 -16.755 41.5355 -16.7562 -192.106 -12.0314 41.5359 -12.0309 -76.2461 GPRESSURE: 2479200 -30.2943 6.0095 165.652 26.8401 -117.63 -4.88867 18.9461 -128.687 -57.385 PRESSAVG: 2479200 -77.4504 30.526 -26.3108 30.526 -19.6168 15.1517 -26.3108 15.1518 74.3306 GPRESSAVG: 2479200 -76.7971 30.6513 -26.5212 34.0532 -20.02 12.977 -26.5721 14.6967 73.917 TIMING: 2479200 CPU: 7471.67, 0.00296181/step Wall: 7471.67, 0.00296181/step, 2.07392 hours remaining, 208.285156 MB of memory in use. ENERGY: 2479200 769.1634 2090.2155 1943.3144 127.1355 -206203.4878 17769.9884 0.0000 0.0000 34350.8549 -149152.8157 299.9946 -183503.6705 -149043.2848 299.8365 -104.9797 -68.4366 557479.9367 -7.5788 -7.6333 PRESSURE: 2479400 82.4576 16.8215 -99.7658 16.8217 -39.3478 -45.7851 -99.766 -45.7854 -140.497 GPRESSURE: 2479400 179.067 -54.8447 -135.391 -43.0039 -32.2244 -2.34718 -108.497 -27.2884 -141.493 PRESSAVG: 2479400 11.052 24.472 -80.0449 24.4722 43.4761 3.14617 -80.045 3.1463 -30.8598 GPRESSAVG: 2479400 10.1066 22.6549 -78.913 24.0992 43.807 3.46081 -79.7727 4.90844 -30.1323 TIMING: 2479400 CPU: 7472.27, 0.00296069/step Wall: 7472.27, 0.00296069/step, 2.07298 hours remaining, 208.285156 MB of memory in use. ENERGY: 2479400 780.1507 2112.5083 1972.4314 93.8055 -206422.6838 17871.7853 0.0000 0.0000 34495.3178 -149096.6850 301.2562 -183592.0027 -149005.4043 299.8603 -32.4623 1.7833 555431.7043 7.8894 7.9271 PRESSURE: 2479600 181.08 21.48 -103.794 21.4796 -186.597 -114.139 -103.794 -114.139 -106.363 GPRESSURE: 2479600 253.909 24.1369 -87.0637 -66.8833 -181.357 -139.772 -156.954 -221.335 -89.5762 PRESSAVG: 2479600 -15.4425 13.7911 -21.8784 13.791 -36.9697 25.4218 -21.8785 25.4218 33.4429 GPRESSAVG: 2479600 -14.4413 15.7408 -23.4489 11.8256 -38.7364 26.108 -22.0745 24.9604 33.4783 TIMING: 2479600 CPU: 7472.86, 0.00297392/step Wall: 7472.86, 0.00297392/step, 2.08208 hours remaining, 208.285156 MB of memory in use. ENERGY: 2479600 771.5511 2097.5501 1976.8890 118.5519 -205974.3991 17776.2125 0.0000 0.0000 34314.5878 -148919.0567 299.6778 -183233.6444 -148821.7857 300.1337 -37.2934 -5.6748 556424.9050 -6.3231 -6.5665 PRESSURE: 2479800 507.711 157.079 134.836 157.08 -33.4095 13.7849 134.836 13.7836 -156.929 GPRESSURE: 2479800 492.025 185.798 154.712 166.963 -21.8713 19.7764 116.443 60.0827 -61.6093 PRESSAVG: 2479800 33.7854 30.0269 -6.30653 30.0268 -75.7704 -49.4274 -6.30642 -49.4273 63.6521 GPRESSAVG: 2479800 33.951 29.6919 -3.71337 30.5333 -75.5137 -50.2504 -6.18467 -48.9246 62.8646 TIMING: 2479800 CPU: 7473.45, 0.00296445/step Wall: 7473.45, 0.00296445/step, 2.07528 hours remaining, 208.285156 MB of memory in use. ENERGY: 2479800 765.2978 2068.2391 1915.4774 104.3941 -206425.9656 17973.0005 0.0000 0.0000 34524.6577 -149074.8991 301.5124 -183599.5567 -148982.3338 300.7553 105.7906 136.1814 556383.7043 7.2223 7.1006 PRESSURE: 2480000 -65.8909 25.1572 121.021 25.1558 0.588556 130.735 121.022 130.736 -173.675 GPRESSURE: 2480000 18.0505 34.5993 148.242 -34.452 18.6368 34.9714 136.56 121.873 -191.172 PRESSAVG: 2480000 104.048 19.4476 23.5624 19.4476 -14.946 -16.0657 23.5624 -16.0657 -83.1236 GPRESSAVG: 2480000 103.695 19.1751 22.024 17.7123 -14.7737 -14.4682 23.4642 -16.9142 -82.4786 TIMING: 2480000 CPU: 7474.05, 0.00299788/step Wall: 7474.05, 0.00299788/step, 2.09851 hours remaining, 208.285156 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: 2480000 729.5221 2063.9590 1949.6406 124.8390 -206176.9930 17756.2481 0.0000 0.0000 34503.9082 -149048.8759 301.3312 -183552.7841 -148950.1656 300.5041 -79.6591 -51.4949 558327.7336 1.9929 2.1477 PRESSURE: 2480200 -120.318 -9.57052 -1.05085 -9.56965 -114.732 154.966 -1.05028 154.966 5.43054 GPRESSURE: 2480200 -151.678 -24.9288 -33.803 -8.52537 17.7237 227.023 11.2977 123.456 11.3126 PRESSAVG: 2480200 21.7532 1.47961 70.1531 1.47962 -25.7375 -3.86369 70.1531 -3.86366 11.0024 GPRESSAVG: 2480200 21.7002 1.62118 71.6435 2.95242 -25.9613 -2.92859 69.6751 -5.33232 11.7964 TIMING: 2480200 CPU: 7474.66, 0.00301941/step Wall: 7474.66, 0.00301941/step, 2.11342 hours remaining, 208.285156 MB of memory in use. ENERGY: 2480200 751.9690 2115.8518 1951.7123 102.1621 -206082.0606 17865.8865 0.0000 0.0000 34315.8859 -148978.5931 299.6892 -183294.4789 -148875.4535 300.1420 -76.5399 -40.8806 558249.7827 2.3394 2.5118 LDB: ============= START OF LOAD BALANCING ============== 7478.18 LDB: ============== END OF LOAD BALANCING =============== 7478.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7478.18 LDB: ============= START OF LOAD BALANCING ============== 7478.48 LDB: Largest compute 4772 load 0.029657 is 25.1% of average load 0.118013 LDB: Average compute 0.001728 is 1.5% of average load 0.118013 LDB: TIME 7478.48 LOAD: AVG 0.118013 MAX 0.211568 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.371 MB LDB: TIME 7478.48 LOAD: AVG 0.118013 MAX 0.211568 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.605 MB LDB: TIME 7478.48 LOAD: AVG 0.118013 MAX 0.211568 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.605 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7478.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7478.49 PRESSURE: 2480400 217.637 -118.349 109.653 -118.35 214.018 95.9988 109.652 95.9979 -91.3387 GPRESSURE: 2480400 231.317 -123.756 44.6487 -74.899 247.944 18.9152 99.6467 136.982 -32.4818 PRESSAVG: 2480400 -18.3558 -70.2688 10.9314 -70.2688 -10.113 -32.6814 10.9314 -32.6814 17.904 GPRESSAVG: 2480400 -18.5142 -69.1298 7.55602 -69.964 -9.38509 -34.4752 12.1719 -31.3409 16.9615 TIMING: 2480400 CPU: 7475.27, 0.0030671/step Wall: 7475.27, 0.0030671/step, 2.14663 hours remaining, 209.292969 MB of memory in use. ENERGY: 2480400 760.5679 2168.7302 1959.8517 116.7972 -206215.2424 17963.7810 0.0000 0.0000 34289.2216 -148956.2930 299.4563 -183245.5145 -148860.1159 299.8646 113.4388 148.9265 557126.6816 -3.5216 -3.6459 PRESSURE: 2480600 -44.8591 -36.1049 123.152 -36.1044 176.808 -62.2002 123.152 -62.1995 -173.096 GPRESSURE: 2480600 -41.8992 -15.033 140.408 -72.2913 272.057 -50.3456 68.6831 -94.023 -181.054 PRESSAVG: 2480600 4.11309 2.60388 1.89006 2.6039 66.7904 -53.7878 1.8901 -53.7879 -37.7636 GPRESSAVG: 2480600 4.19037 3.21706 4.58156 2.64994 67.2592 -55.1675 -1.19616 -54.6503 -38.3133 TIMING: 2480600 CPU: 7475.87, 0.00299148/step Wall: 7475.87, 0.00299148/step, 2.09354 hours remaining, 209.496094 MB of memory in use. ENERGY: 2480600 722.1591 2087.1219 1934.8311 112.0186 -205817.7501 17657.1073 0.0000 0.0000 34430.5981 -148873.9141 300.6910 -183304.5122 -148779.1322 300.3516 -13.7154 16.3679 556236.5617 11.0466 11.0454 PRESSURE: 2480800 -51.8529 63.3334 160.531 63.3321 -115.391 6.04691 160.532 6.0453 -84.7513 GPRESSURE: 2480800 23.6303 106.209 135.634 -14.927 -97.6209 -32.0714 116.573 -57.6689 -76.1745 PRESSAVG: 2480800 10.974 18.5091 10.5207 18.5091 39.8294 -62.3654 10.5207 -62.3656 -37.0332 GPRESSAVG: 2480800 10.5706 15.2439 9.72745 19.6882 39.3176 -61.9402 12.681 -60.7961 -36.5261 TIMING: 2480800 CPU: 7476.48, 0.0030361/step Wall: 7476.48, 0.0030361/step, 2.1246 hours remaining, 209.496094 MB of memory in use. ENERGY: 2480800 757.0651 2082.8335 1934.9645 107.6926 -205695.7450 17526.3438 0.0000 0.0000 34521.9725 -148764.8730 301.4890 -183286.8455 -148672.8311 300.1377 -83.9983 -50.0550 557714.0663 4.5900 4.4540 PRESSURE: 2481000 179.082 50.254 -22.4419 50.2531 -12.1097 -235.81 -22.4427 -235.809 100.085 GPRESSURE: 2481000 199.58 62.7707 -55.2996 110.684 10.8001 -232.199 60.3524 -159.154 150.557 PRESSAVG: 2481000 22.0623 20.3653 10.6955 20.3653 11.6027 30.3963 10.6954 30.3963 5.88223 GPRESSAVG: 2481000 22.4234 20.9893 8.39073 19.4679 11.3173 31.7838 11.458 31.0295 6.05964 TIMING: 2481000 CPU: 7477.09, 0.00305955/step Wall: 7477.09, 0.00305955/step, 2.14084 hours remaining, 209.496094 MB of memory in use. ENERGY: 2481000 767.4735 2064.1601 1919.5696 119.5221 -206128.0390 18074.9230 0.0000 0.0000 34228.7002 -148953.6905 298.9278 -183182.3907 -148859.2698 300.0946 89.0191 120.3124 557496.3542 13.1824 13.2668 PRESSURE: 2481200 -67.5629 30.1258 -89.8106 30.1263 -200.845 -148.286 -89.8106 -148.287 -78.3391 GPRESSURE: 2481200 -69.8267 42.4246 -194.119 63.9807 -147.699 -131.699 -52.4807 -170.294 -36.7697 PRESSAVG: 2481200 -4.78916 42.1392 9.05559 42.1392 10.4055 -36.7958 9.05559 -36.796 48.4115 GPRESSAVG: 2481200 -3.88661 42.922 12.0979 41.8741 9.33948 -36.2493 7.99511 -38.2616 48.8747 TIMING: 2481200 CPU: 7477.69, 0.00303223/step Wall: 7477.69, 0.00303223/step, 2.12155 hours remaining, 209.496094 MB of memory in use. ENERGY: 2481200 755.8932 2099.3949 1939.7056 111.3003 -205824.3703 17530.3351 0.0000 0.0000 34527.4081 -148860.3332 301.5364 -183387.7413 -148767.1097 299.4437 -115.5822 -84.7652 556979.9717 18.0093 18.1092 PRESSURE: 2481400 123.017 -63.6545 2.99923 -63.6546 303.451 88.7464 2.99818 88.7459 95.9019 GPRESSURE: 2481400 161.756 -115.132 -43.072 104.841 303.466 57.4037 12.9702 34.8284 124.27 PRESSAVG: 2481400 9.40482 12.3497 33.2995 12.3496 -11.3523 4.32944 33.2995 4.32927 4.11796 GPRESSAVG: 2481400 8.21257 14.0966 32.9906 12.7405 -9.95581 1.19799 34.1811 5.16835 4.45572 TIMING: 2481400 CPU: 7478.29, 0.00299205/step Wall: 7478.29, 0.00299205/step, 2.09327 hours remaining, 209.789062 MB of memory in use. ENERGY: 2481400 704.7390 2088.5969 1945.7450 110.6017 -205885.9730 17781.3697 0.0000 0.0000 34521.4450 -148733.4757 301.4844 -183254.9207 -148641.4942 300.5946 174.1232 196.4972 556209.1608 0.7235 0.9042 PRESSURE: 2481600 203.865 -62.4877 44.466 -62.4882 -94.4952 129.888 44.4657 129.889 24.8676 GPRESSURE: 2481600 228.231 -67.8291 85.5761 -131.405 -36.6809 18.1855 -9.23132 171.901 38.3593 PRESSAVG: 2481600 31.1511 31.0396 6.29579 31.0395 -26.9384 58.7913 6.29578 58.7913 21.1005 GPRESSAVG: 2481600 31.9689 30.546 4.83704 29.6534 -26.1374 62.4936 3.68211 58.1764 20.1594 TIMING: 2481600 CPU: 7478.89, 0.0030092/step Wall: 7478.89, 0.0030092/step, 2.1051 hours remaining, 209.789062 MB of memory in use. ENERGY: 2481600 742.6083 2056.4038 1945.4217 105.1629 -205623.8066 17726.6453 0.0000 0.0000 34312.7557 -148734.8090 299.6618 -183047.5647 -148643.8526 300.9599 44.7459 76.6366 556830.3074 8.4377 8.6636 PRESSURE: 2481800 -69.3675 143.621 9.31152 143.62 110.35 -132.111 9.3122 -132.109 101.32 GPRESSURE: 2481800 -1.58543 160.27 61.7447 176.072 176.54 -110.786 -0.786144 -159.53 69.652 PRESSAVG: 2481800 29.0911 -31.4652 -8.62486 -31.4653 3.7773 68.3767 -8.62486 68.3766 28.0265 GPRESSAVG: 2481800 29.2505 -34.4682 -8.0707 -29.9679 4.20258 67.4335 -6.43675 68.9293 26.9947 TIMING: 2481800 CPU: 7479.5, 0.00300673/step Wall: 7479.5, 0.00300673/step, 2.10321 hours remaining, 209.789062 MB of memory in use. ENERGY: 2481800 725.1061 2122.3295 1953.1003 117.7612 -205807.3271 17722.1447 0.0000 0.0000 34320.3785 -148846.5068 299.7284 -183166.8853 -148741.8128 300.0374 47.4341 81.5357 556789.1539 20.2983 20.1493 PRESSURE: 2482000 -212.375 137.214 52.9677 137.214 102.844 128.644 52.9657 128.645 -88.0725 GPRESSURE: 2482000 -153.538 112.593 19.3518 111.376 89.09 143.092 94.0326 168.341 -39.0153 PRESSAVG: 2482000 -37.7387 48.7286 -14.094 48.7285 6.04327 46.7284 -14.0941 46.7284 44.6118 GPRESSAVG: 2482000 -38.6344 48.9108 -15.9109 50.1544 5.17981 47.7567 -13.6167 47.4786 45.6301 TIMING: 2482000 CPU: 7480.1, 0.00302583/step Wall: 7480.1, 0.00302583/step, 2.1164 hours remaining, 209.789062 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: 2482000 738.7937 2082.7089 1936.2586 104.4303 -206063.2764 17766.7447 0.0000 0.0000 34486.8730 -148947.4671 301.1824 -183434.3401 -148851.3585 300.2287 -65.8680 -34.4877 557353.8187 4.3054 4.0585 PRESSURE: 2482200 78.6088 -216.915 7.38773 -216.916 -45.327 -106.875 7.38754 -106.873 -36.697 GPRESSURE: 2482200 149.108 -124.874 69.9403 -244.553 -25.4524 -139.496 24.3795 -113.978 -5.25143 PRESSAVG: 2482200 39.1446 -26.5313 8.23284 -26.5314 -23.8749 48.1436 8.23282 48.1436 38.0796 GPRESSAVG: 2482200 40.3266 -25.9109 12.1714 -28.3799 -24.6487 47.2101 6.26738 47.0557 37.525 TIMING: 2482200 CPU: 7480.7, 0.00299065/step Wall: 7480.7, 0.00299065/step, 2.09163 hours remaining, 209.789062 MB of memory in use. ENERGY: 2482200 719.1803 2132.9176 1946.6133 108.5913 -205936.4186 17796.9308 0.0000 0.0000 34222.4319 -149009.7534 298.8730 -183232.1854 -148921.6778 299.9366 -1.1384 39.4680 557385.4846 17.7831 17.7343 PRESSURE: 2482400 -57.269 89.8002 -1.87511 89.7997 -232.586 45.4345 -1.87499 45.4358 39.3906 GPRESSURE: 2482400 -43.81 130.818 -21.3451 -14.821 -230.057 58.6373 27.8936 121.184 119.601 PRESSAVG: 2482400 -62.8857 15.3427 36.2551 15.3426 -17.8014 -35.2546 36.2551 -35.2545 32.5044 GPRESSAVG: 2482400 -64.4129 14.4856 34.0706 14.4034 -15.3898 -34.8098 37.3915 -35.4852 31.229 TIMING: 2482400 CPU: 7481.3, 0.00301771/step Wall: 7481.3, 0.00301771/step, 2.11039 hours remaining, 209.789062 MB of memory in use. ENERGY: 2482400 734.0044 2073.0846 1960.1934 108.3443 -205786.2082 17511.4599 0.0000 0.0000 34430.2940 -148968.8276 300.6883 -183399.1216 -148873.5231 299.8575 -83.4880 -51.4221 557349.1051 -16.0609 -16.1912 PRESSURE: 2482600 16.0051 -4.62373 88.8171 -4.6243 -136.106 -138.147 88.8156 -138.145 173.611 GPRESSURE: 2482600 58.4004 22.8886 88.8161 -54.8679 -105.522 -93.2859 196.315 -127.104 200.289 PRESSAVG: 2482600 68.3057 -19.8569 12.0196 -19.857 -89.3504 36.1678 12.0197 36.1678 44.9079 GPRESSAVG: 2482600 67.6486 -20.1598 13.9385 -18.4605 -90.3912 34.0132 11.7184 38.2508 46.7919 TIMING: 2482600 CPU: 7481.9, 0.00300477/step Wall: 7481.9, 0.00300477/step, 2.10117 hours remaining, 209.789062 MB of memory in use. ENERGY: 2482600 764.5544 2049.5854 1948.8433 118.9369 -206013.9199 17670.8012 0.0000 0.0000 34538.1955 -148923.0031 301.6307 -183461.1987 -148824.4878 300.4897 17.8366 51.0557 556146.2686 7.9544 8.0165 PRESSURE: 2482800 -65.6187 -44.7308 232.668 -44.73 -235.612 48.6779 232.667 48.6782 132.6 GPRESSURE: 2482800 -28.2601 48.6682 219.602 -81.0504 -224.348 39.1172 147.561 -0.927811 176.533 PRESSAVG: 2482800 1.47982 27.5769 24.6025 27.5769 -76.3046 -25.7619 24.6025 -25.7619 42.9224 GPRESSAVG: 2482800 1.41214 28.5699 23.2034 27.5667 -76.448 -24.7 24.6864 -26.1475 43.8936 TIMING: 2482800 CPU: 7482.5, 0.00299496/step Wall: 7482.5, 0.00299496/step, 2.09415 hours remaining, 209.789062 MB of memory in use. ENERGY: 2482800 701.6147 2140.3866 1947.0477 110.8175 -205913.0274 17613.4314 0.0000 0.0000 34439.8191 -148959.9104 300.7715 -183399.7294 -148857.2053 300.3635 -56.2100 -25.3583 557457.9385 -10.6341 -10.3808 PRESSURE: 2483000 20.5829 32.6859 148.813 32.6836 -230.518 115.657 148.813 115.657 -187.767 GPRESSURE: 2483000 5.47965 68.3436 129.364 -63.8819 -121.942 121.748 158.707 120.214 -180.467 PRESSAVG: 2483000 44.7327 -24.2025 50.6531 -24.2025 -98.1861 8.10676 50.6531 8.1068 66.1338 GPRESSAVG: 2483000 44.5459 -24.7425 50.4696 -24.4984 -97.6393 11.9898 50.9852 5.56144 65.818 TIMING: 2483000 CPU: 7483.1, 0.00299754/step Wall: 7483.1, 0.00299754/step, 2.09578 hours remaining, 209.789062 MB of memory in use. ENERGY: 2483000 736.1424 2117.2189 1933.6690 113.2706 -205679.4144 17518.0015 0.0000 0.0000 34398.4677 -148862.6443 300.4104 -183261.1120 -148767.0964 301.0820 -132.5675 -98.9764 558535.8365 4.2268 4.2415 PRESSURE: 2483200 296.933 41.0752 -1.63969 41.0747 -25.83 -2.09579 -1.63932 -2.09609 85.4545 GPRESSURE: 2483200 362.63 16.9012 -28.6058 -64.1086 -9.62111 27.6047 -2.14562 27.4251 118.765 PRESSAVG: 2483200 79.2326 -18.2112 32.8647 -18.2111 -63.8105 5.60004 32.8647 5.60003 -24.1023 GPRESSAVG: 2483200 80.0165 -17.2442 32.9973 -18.4754 -63.5707 2.15957 33.9087 8.82126 -25.356 TIMING: 2483200 CPU: 7483.7, 0.00299273/step Wall: 7483.7, 0.00299273/step, 2.09225 hours remaining, 209.789062 MB of memory in use. ENERGY: 2483200 774.4417 2095.9819 1930.6312 109.7025 -206357.1463 17908.7296 0.0000 0.0000 34559.5469 -148978.1126 301.8171 -183537.6595 -148882.4039 300.5290 118.8524 157.2581 556617.0652 -2.8934 -2.9701 PRESSURE: 2483400 101.593 132.327 -150.594 132.328 -229.137 61.107 -150.593 61.1061 -17.9397 GPRESSURE: 2483400 149.183 136.953 -154.863 173.667 -184.747 116.524 -113 78.4993 -13.5698 PRESSAVG: 2483400 70.9613 0.741006 7.29612 0.740977 -116.013 -16.9175 7.29612 -16.9175 48.637 GPRESSAVG: 2483400 72.4783 1.23334 10.0004 1.18493 -117.148 -16.0183 5.32914 -17.3194 48.478 TIMING: 2483400 CPU: 7484.3, 0.00297282/step Wall: 7484.3, 0.00297282/step, 2.07817 hours remaining, 209.789062 MB of memory in use. ENERGY: 2483400 759.1458 2182.8159 1931.6242 110.5627 -206375.0131 17894.8574 0.0000 0.0000 34590.1326 -148905.8745 302.0842 -183496.0071 -148802.6029 301.2437 -48.4947 -16.3777 558190.9677 1.1951 1.2696 PRESSURE: 2483600 -43.9026 -116.23 -145.138 -116.23 -209.19 -117.655 -145.14 -117.655 -83.1717 GPRESSURE: 2483600 7.89607 -65.1363 -179.336 -110.482 -216.925 -85.1304 -159.809 -101.054 -24.0354 PRESSAVG: 2483600 81.9398 8.87578 -4.03939 8.87578 -41.5198 -21.2984 -4.03938 -21.2985 -20.9976 GPRESSAVG: 2483600 80.0567 10.2066 -5.21024 6.16659 -39.4676 -21.3658 -2.63435 -20.7615 -20.7139 TIMING: 2483600 CPU: 7484.89, 0.00299065/step Wall: 7484.89, 0.00299065/step, 2.09047 hours remaining, 209.789062 MB of memory in use. ENERGY: 2483600 732.4677 2141.5656 1916.1403 106.8289 -206030.0096 17553.9702 0.0000 0.0000 34418.1489 -149160.8881 300.5823 -183579.0370 -149060.4102 300.4346 -112.0881 -77.6882 558809.4415 6.4742 6.6250 PRESSURE: 2483800 -382.922 -102.44 -5.42883 -102.439 -190.942 121.532 -5.4276 121.53 -8.05125 GPRESSURE: 2483800 -381.42 -132.01 88.4719 0.145264 -166.66 94.2648 -78.4895 150.671 72.1341 PRESSAVG: 2483800 62.0732 -9.15551 -26.9939 -9.15551 28.4718 -62.4012 -26.9938 -62.4014 -52.108 GPRESSAVG: 2483800 63.1228 -8.59511 -26.7 -6.90865 26.5722 -62.8631 -28.5129 -63.1743 -51.5493 TIMING: 2483800 CPU: 7485.49, 0.00298563/step Wall: 7485.49, 0.00298563/step, 2.08679 hours remaining, 209.789062 MB of memory in use. ENERGY: 2483800 785.0415 2182.7735 1945.2696 108.3843 -206052.9861 17693.1503 0.0000 0.0000 34206.9864 -149131.3807 298.7381 -183338.3671 -149032.3497 299.9015 -193.9719 -158.6487 558203.3893 12.8123 12.7152 PRESSURE: 2484000 -68.2408 -65.7018 -38.3492 -65.7024 -166.694 181.232 -38.3491 181.232 -90.0846 GPRESSURE: 2484000 -69.2565 60.4621 3.14008 -90.3804 -60.0636 217.673 -113.504 177.929 -88.4064 PRESSAVG: 2484000 -44.0608 -56.3444 -20.6213 -56.3444 26.707 78.4526 -20.6213 78.4526 -13.3235 GPRESSAVG: 2484000 -46.2166 -56.5693 -20.2417 -54.7396 28.1202 79.7757 -20.6609 77.7434 -12.3636 TIMING: 2484000 CPU: 7486.09, 0.00298024/step Wall: 7486.09, 0.00298024/step, 2.08286 hours remaining, 209.789062 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: 2484000 738.2233 2166.4879 1923.5623 122.0969 -206205.5507 17790.1703 0.0000 0.0000 34176.5065 -149288.5035 298.4719 -183465.0100 -149188.2364 299.0633 -108.3399 -72.5755 557571.4921 -10.2258 -10.1533 PRESSURE: 2484200 -79.3617 125.203 -9.3197 125.203 -135.959 -142.217 -9.3207 -142.216 -103.361 GPRESSURE: 2484200 6.20292 75.7879 -31.8739 224.753 -183.551 -117.005 24.2314 -109.533 -40.1871 PRESSAVG: 2484200 -7.78775 -9.14382 -10.517 -9.14383 10.391 2.15935 -10.5169 2.15936 -28.8787 GPRESSAVG: 2484200 -5.35818 -10.5729 -10.8741 -9.62078 8.26777 1.14195 -10.5212 3.36008 -29.3469 TIMING: 2484200 CPU: 7486.68, 0.00295867/step Wall: 7486.68, 0.00295867/step, 2.06762 hours remaining, 209.789062 MB of memory in use. ENERGY: 2484200 743.1737 2121.6638 1947.0157 130.8049 -205975.7106 17486.6564 0.0000 0.0000 34162.3936 -149384.0026 298.3487 -183546.3962 -149284.9410 298.8368 -106.2273 -72.5118 556830.7798 -8.7585 -8.8124 LDB: ============= START OF LOAD BALANCING ============== 7490.19 LDB: ============== END OF LOAD BALANCING =============== 7490.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7490.19 LDB: ============= START OF LOAD BALANCING ============== 7490.49 LDB: Largest compute 4800 load 0.029839 is 25.3% of average load 0.117963 LDB: Average compute 0.001729 is 1.5% of average load 0.117963 LDB: TIME 7490.49 LOAD: AVG 0.117963 MAX 0.204856 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.102 MB LDB: TIME 7490.5 LOAD: AVG 0.117963 MAX 0.204856 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.344 MB LDB: TIME 7490.5 LOAD: AVG 0.117963 MAX 0.204856 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.344 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7490.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7490.5 PRESSURE: 2484400 -195.662 -35.983 -61.6889 -35.984 -156.75 -33.6975 -61.6881 -33.6972 -369.622 GPRESSURE: 2484400 -170.907 -13.2149 -9.20078 -41.3575 -151.171 -132.193 2.32685 42.2808 -303.999 PRESSAVG: 2484400 60.9552 -49.0553 -16.3489 -49.0553 -12.7512 28.4694 -16.3489 28.4694 -45.0942 GPRESSAVG: 2484400 59.1371 -50.0458 -16.1467 -47.7841 -12.1885 28.2451 -14.299 30.4078 -44.2675 TIMING: 2484400 CPU: 7487.28, 0.00303219/step Wall: 7487.28, 0.00303219/step, 2.11882 hours remaining, 210.285156 MB of memory in use. ENERGY: 2484400 797.9367 2062.0343 1938.5038 117.4907 -205663.8544 17504.4173 0.0000 0.0000 34043.7284 -149199.7431 297.3123 -183243.4716 -149102.8104 298.4544 -240.6779 -208.6924 558458.2643 1.0366 0.8937 PRESSURE: 2484600 -55.0152 -52.3529 56.1101 -52.3523 -95.774 10.6306 56.1102 10.6294 -212.462 GPRESSURE: 2484600 -29.0511 -100.006 24.9287 -6.44507 -51.0894 48.4248 12.7512 -41.7613 -182.137 PRESSAVG: 2484600 41.5647 -10.4086 -28.1889 -10.4086 -44.6604 -28.9091 -28.189 -28.9091 -14.6886 GPRESSAVG: 2484600 42.5736 -9.16734 -28.8419 -11.6234 -45.0546 -29.015 -28.5406 -30.0951 -15.6369 TIMING: 2484600 CPU: 7487.88, 0.00298403/step Wall: 7487.88, 0.00298403/step, 2.08501 hours remaining, 210.429688 MB of memory in use. ENERGY: 2484600 756.2819 2083.7212 1925.7427 117.0928 -205638.8762 17541.8193 0.0000 0.0000 33985.3391 -149228.8793 296.8024 -183214.2184 -149134.7843 298.8372 -121.0837 -87.4260 556623.1762 -5.9281 -6.0393 PRESSURE: 2484800 -390.909 -19.6568 122.481 -19.6562 -113.874 158.812 122.481 158.812 -71.005 GPRESSURE: 2484800 -391.273 -20.6985 157.231 -57.1941 -111.769 152.83 -7.90217 156.448 22.854 PRESSAVG: 2484800 -6.346 -2.15771 30.0082 -2.15772 -21.4239 24.6244 30.0082 24.6245 6.82532 GPRESSAVG: 2484800 -5.42485 -3.16319 30.0725 -2.41978 -22.7476 24.9533 28.1593 25.729 7.67856 TIMING: 2484800 CPU: 7488.47, 0.00296599/step Wall: 7488.47, 0.00296599/step, 2.07224 hours remaining, 210.429688 MB of memory in use. ENERGY: 2484800 746.0378 2101.1240 1949.4230 114.2645 -205947.8341 17529.2534 0.0000 0.0000 34256.9463 -149250.7852 299.1744 -183507.7315 -149148.4784 299.3342 -191.9293 -160.0629 557421.1181 -6.9815 -6.8313 PRESSURE: 2485000 -137.157 34.9045 3.21786 34.9043 96.45 79.2766 3.21803 79.2762 156.155 GPRESSURE: 2485000 -58.7639 -42.1843 -75.9552 77.9648 157.781 27.4787 34.2365 144.645 108.871 PRESSAVG: 2485000 0.458713 -16.0043 7.31311 -16.0042 -28.6574 26.8274 7.31312 26.8273 2.14745 GPRESSAVG: 2485000 -0.00909428 -16.5639 5.40114 -15.6168 -26.8201 25.8646 10.7192 24.8422 0.949433 TIMING: 2485000 CPU: 7489.07, 0.00296768/step Wall: 7489.07, 0.00296768/step, 2.07325 hours remaining, 210.429688 MB of memory in use. ENERGY: 2485000 737.1793 2100.7691 1949.8700 112.8707 -206230.6541 17879.0986 0.0000 0.0000 34121.1129 -149329.7534 297.9882 -183450.8664 -149236.9391 299.6128 38.4826 69.2960 557833.2098 -8.6837 -8.6266 PRESSURE: 2485200 -35.1084 99.7257 -30.7096 99.7263 -71.9428 189.186 -30.7101 189.186 -32.5111 GPRESSURE: 2485200 -19.1966 10.2143 -53.4811 147.579 -5.11635 158.396 -28.8221 164.658 -17.6233 PRESSAVG: 2485200 31.5265 -10.7573 -23.1344 -10.7573 40.1218 21.1267 -23.1344 21.1268 -56.3611 GPRESSAVG: 2485200 31.0821 -12.2515 -22.0648 -10.8255 39.5792 24.0195 -23.5212 19.5816 -55.0168 TIMING: 2485200 CPU: 7489.67, 0.00298775/step Wall: 7489.67, 0.00298775/step, 2.08711 hours remaining, 210.429688 MB of memory in use. ENERGY: 2485200 725.9578 2141.9770 1923.2594 103.2322 -206022.0769 17787.2170 0.0000 0.0000 34067.5062 -149272.9272 297.5200 -183340.4335 -149175.9460 298.8309 -46.5208 -13.9788 557711.6260 5.0957 5.2148 PRESSURE: 2485400 -126.417 1.44495 45.2461 1.44435 160.772 -80.683 45.2468 -80.6818 150.751 GPRESSURE: 2485400 -102.377 47.5629 107.921 56.5564 163.708 -21.8789 -9.79549 -125.056 222.64 PRESSAVG: 2485400 45.9548 -8.31901 14.4079 -8.31903 -0.933488 -17.2076 14.408 -17.2077 -28.8731 GPRESSAVG: 2485400 45.2734 -6.67426 16.7583 -11.4339 0.0622088 -18.1523 11.5709 -16.7467 -29.5167 TIMING: 2485400 CPU: 7490.26, 0.00297906/step Wall: 7490.26, 0.00297906/step, 2.08088 hours remaining, 210.429688 MB of memory in use. ENERGY: 2485400 760.5051 2186.6834 1935.3093 101.9677 -206552.0032 17936.0034 0.0000 0.0000 34127.4519 -149504.0824 298.0435 -183631.5343 -149411.1518 298.8481 61.7023 94.6572 555632.1281 5.3827 5.2730 PRESSURE: 2485600 -168.838 59.113 52.6532 59.1128 -90.0074 -22.1863 52.6539 -22.1853 -260.785 GPRESSURE: 2485600 -132.422 85.8118 129.052 35.1429 -33.9972 -21.5833 -4.2907 -23.1153 -255.451 PRESSAVG: 2485600 21.2397 7.2448 -26.3203 7.24471 7.80173 -26.6767 -26.3202 -26.6768 -33.4848 GPRESSAVG: 2485600 21.0229 8.95395 -26.9161 9.4608 7.65653 -27.5087 -27.5901 -23.8577 -32.8678 TIMING: 2485600 CPU: 7490.86, 0.00300602/step Wall: 7490.86, 0.00300602/step, 2.09954 hours remaining, 210.429688 MB of memory in use. ENERGY: 2485600 761.6398 2025.5509 1922.5889 120.7527 -206163.2894 17617.2237 0.0000 0.0000 34250.5854 -149464.9480 299.1189 -183715.5334 -149364.3248 298.4857 -173.2099 -140.6235 557580.4307 -1.4811 -1.3961 PRESSURE: 2485800 124.039 -41.5614 -184.789 -41.5619 60.1028 -17.4163 -184.789 -17.418 -197.757 GPRESSURE: 2485800 138.197 11.0139 -107.596 -138.36 121.726 1.06078 -264.898 -3.03812 -193.859 PRESSAVG: 2485800 -74.1003 -19.431 -26.614 -19.4309 83.9065 -68.8684 -26.6141 -68.8685 -12.5438 GPRESSAVG: 2485800 -73.1312 -20.7321 -27.1008 -19.4882 83.7229 -69.2277 -25.4137 -69.7849 -13.4635 TIMING: 2485800 CPU: 7491.46, 0.00299179/step Wall: 7491.46, 0.00299179/step, 2.08944 hours remaining, 210.429688 MB of memory in use. ENERGY: 2485800 722.5234 2080.0470 1931.5749 119.3687 -206362.3010 17735.3599 0.0000 0.0000 34478.8655 -149294.5615 301.1125 -183773.4270 -149195.6213 299.4089 -4.5385 22.0212 556969.0164 -0.9126 -0.9573 PRESSURE: 2486000 -64.6473 -174.196 75.7724 -174.195 -115.218 9.52396 75.7717 9.52399 -369.269 GPRESSURE: 2486000 -71.0457 -168.13 93.3481 -209.918 -112.502 24.3044 88.6903 -11.3159 -267.838 PRESSAVG: 2486000 31.7155 -30.8518 -41.0677 -30.8518 9.91536 -26.4489 -41.0678 -26.449 -46.0704 GPRESSAVG: 2486000 31.5829 -31.836 -44.1085 -30.6974 9.60727 -27.2573 -38.6799 -26.2526 -45.752 TIMING: 2486000 CPU: 7492.06, 0.00298653/step Wall: 7492.06, 0.00298653/step, 2.08559 hours remaining, 210.429688 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: 2486000 723.1672 2148.5010 1905.6814 110.2841 -206017.4802 17371.5829 0.0000 0.0000 34635.4690 -149122.7945 302.4802 -183758.2636 -149030.1487 299.7954 -183.0449 -150.4617 558263.0581 -1.4799 -1.5206 PRESSURE: 2486200 -165.513 -42.6283 65.3058 -42.6287 -115.618 162.605 65.3045 162.606 82.9555 GPRESSURE: 2486200 -114.453 -52.0861 90.1249 -9.25432 -56.2253 181.909 44.3551 159.364 78.6448 PRESSAVG: 2486200 -1.05377 25.7186 6.1585 25.7186 -46.0674 -26.7966 6.15854 -26.7966 -15.6757 GPRESSAVG: 2486200 -1.27656 26.231 10.4855 26.6315 -44.348 -25.1261 3.19253 -28.6873 -17.1881 TIMING: 2486200 CPU: 7492.65, 0.00295617/step Wall: 7492.65, 0.00295617/step, 2.06423 hours remaining, 210.429688 MB of memory in use. ENERGY: 2486200 731.9356 2135.0285 1935.5311 106.4333 -206265.8343 17828.5383 0.0000 0.0000 34368.2615 -149160.1060 300.1466 -183528.3675 -149058.7920 299.8314 -66.0586 -30.6780 558436.2256 -20.9323 -20.9376 PRESSURE: 2486400 147.432 119.027 37.174 119.026 57.3799 97.7566 37.1733 97.7571 138.85 GPRESSURE: 2486400 205.745 136.327 128.422 68.1269 58.1968 134.972 53.337 51.0337 170.851 PRESSAVG: 2486400 63.184 -36.5228 6.68564 -36.5229 -28.9706 22.4461 6.68561 22.446 -54.7108 GPRESSAVG: 2486400 62.6048 -33.1802 3.36819 -40.1761 -29.4866 23.737 9.14346 21.9102 -53.4111 TIMING: 2486400 CPU: 7493.24, 0.00297124/step Wall: 7493.24, 0.00297124/step, 2.07459 hours remaining, 210.429688 MB of memory in use. ENERGY: 2486400 735.9424 2106.4719 1904.8138 123.1636 -206657.5407 18048.0627 0.0000 0.0000 34540.4988 -149198.5876 301.6508 -183739.0864 -149101.9931 299.5658 114.5539 144.9310 557132.4920 -6.8324 -6.7643 PRESSURE: 2486600 -128.485 113.168 56.1984 113.17 -105.91 4.40246 56.1984 4.40232 -171.304 GPRESSURE: 2486600 -97.4539 109.701 71.4881 117.468 -52.1501 55.1138 66.421 -27.2945 -161.13 PRESSAVG: 2486600 22.842 1.50392 16.6342 1.50403 12.0422 30.3998 16.6343 30.3998 -24.7885 GPRESSAVG: 2486600 22.9341 -2.33432 17.9561 4.50722 11.0398 31.6421 14.2875 28.6555 -24.5063 TIMING: 2486600 CPU: 7493.84, 0.00297833/step Wall: 7493.84, 0.00297833/step, 2.07937 hours remaining, 210.429688 MB of memory in use. ENERGY: 2486600 720.2769 2131.5926 1935.5375 121.5067 -206084.3970 17669.5329 0.0000 0.0000 34365.4926 -149140.4577 300.1224 -183505.9503 -149044.1197 299.7375 -135.2332 -103.5779 556809.1550 3.3652 3.1559 PRESSURE: 2486800 -45.7377 -59.1472 -38.5336 -59.1479 -36.268 -80.8183 -38.5321 -80.8174 74.7961 GPRESSURE: 2486800 -4.97649 -79.8161 -40.2314 -34.678 -5.29508 -42.6527 22.0391 -73.9208 91.1176 PRESSAVG: 2486800 -40.5955 7.28641 -27.0787 7.28631 -7.93228 53.3134 -27.0787 53.3135 73.3184 GPRESSAVG: 2486800 -40.5809 8.42829 -26.1336 6.62749 -6.34062 50.3829 -24.3057 56.0603 71.483 TIMING: 2486800 CPU: 7494.43, 0.00296513/step Wall: 7494.43, 0.00296513/step, 2.06999 hours remaining, 210.429688 MB of memory in use. ENERGY: 2486800 724.3890 2108.8873 1929.3353 139.4416 -205997.0457 17659.8430 0.0000 0.0000 34319.1190 -149116.0306 299.7174 -183435.1495 -149013.5589 299.3041 -2.4032 26.9487 556837.5212 8.2635 8.1872 PRESSURE: 2487000 -33.5731 -65.6073 158.358 -65.6067 129.934 35.1582 158.358 35.1588 -21.0763 GPRESSURE: 2487000 62.1442 2.52402 130.708 -30.7733 154.176 128.09 182.57 -38.4335 -46.9585 PRESSAVG: 2487000 59.7985 -28.6897 -15.7648 -28.6898 -48.8421 16.2783 -15.7647 16.2782 11.8823 GPRESSAVG: 2487000 59.9139 -27.6174 -18.9104 -28.7484 -49.2955 16.7682 -16.2244 16.0854 11.9852 TIMING: 2487000 CPU: 7495.03, 0.00296351/step Wall: 7495.03, 0.00296351/step, 2.0687 hours remaining, 210.429688 MB of memory in use. ENERGY: 2487000 759.7867 2098.3312 1902.3998 102.6098 -206174.5185 17970.5315 0.0000 0.0000 34150.5659 -149190.2936 298.2454 -183340.8595 -149095.5071 299.4327 25.0950 56.4539 556666.4915 7.6129 7.5345 PRESSURE: 2487200 7.82555 153.93 114.07 153.93 -75.9592 -17.1304 114.07 -17.1307 -53.8827 GPRESSURE: 2487200 -4.96109 197.788 142 154.435 -28.8541 -22.1877 156.334 -84.1211 -7.58776 PRESSAVG: 2487200 78.9091 -35.2197 -17.8539 -35.2197 -33.7168 52.1657 -17.854 52.1657 -19.1284 GPRESSAVG: 2487200 79.6615 -38.3119 -16.2776 -33.7653 -35.1601 48.9565 -17.7745 50.9101 -18.7754 TIMING: 2487200 CPU: 7495.61, 0.00294485/step Wall: 7495.61, 0.00294485/step, 2.0555 hours remaining, 210.429688 MB of memory in use. ENERGY: 2487200 778.7164 2067.6215 1945.6807 107.9654 -206192.1105 17811.9652 0.0000 0.0000 34253.4424 -149226.7190 299.1438 -183480.1614 -149134.5732 299.7918 -40.6721 -13.8010 555639.3408 8.6880 8.5753 PRESSURE: 2487400 -108.955 -133.072 -143.026 -133.073 -74.532 -107.963 -143.027 -107.962 -218.688 GPRESSURE: 2487400 -73.7818 -90.2322 -164.091 -114.606 34.9571 -110.459 -96.246 -49.227 -260.487 PRESSAVG: 2487400 -2.42431 4.74363 1.84784 4.74365 61.2643 -10.3423 1.84777 -10.3423 -41.057 GPRESSAVG: 2487400 -2.56621 7.43593 1.79844 3.11989 61.7275 -7.85824 2.67635 -8.60058 -41.0883 TIMING: 2487400 CPU: 7496.21, 0.00297439/step Wall: 7496.21, 0.00297439/step, 2.07596 hours remaining, 210.429688 MB of memory in use. ENERGY: 2487400 778.8510 2078.5080 1925.3308 109.7949 -205973.9041 17695.9767 0.0000 0.0000 34184.2065 -149201.2362 298.5392 -183385.4427 -149102.8222 299.6795 -134.0582 -99.7704 557357.4838 5.9277 6.0243 PRESSURE: 2487600 -65.5084 102.108 -82.5759 102.106 75.5841 74.97 -82.5759 74.9723 5.21422 GPRESSURE: 2487600 12.4144 -58.4744 -74.0345 128.158 89.5757 84.3922 -99.2322 93.064 21.9241 PRESSAVG: 2487600 3.77996 -16.6742 -23.713 -16.6741 0.608493 18.0914 -23.713 18.0913 -40.9909 GPRESSAVG: 2487600 1.98758 -16.4116 -22.7212 -16.7303 2.72698 16.4694 -23.0834 17.6478 -40.8725 TIMING: 2487600 CPU: 7496.8, 0.00296888/step Wall: 7496.8, 0.00296888/step, 2.07195 hours remaining, 210.429688 MB of memory in use. ENERGY: 2487600 750.0710 2066.7509 1931.9565 129.0299 -206074.0559 17780.2583 0.0000 0.0000 34237.3149 -149178.6744 299.0030 -183415.9893 -149067.8023 299.3890 5.0966 41.3047 557052.4700 -12.2008 -12.0526 PRESSURE: 2487800 -89.2754 174.935 28.602 174.937 -8.9897 -66.4012 28.601 -66.402 71.1168 GPRESSURE: 2487800 -18.399 159.35 51.0842 213.02 -24.3521 49.5797 47.9622 -145.689 107.563 PRESSAVG: 2487800 -8.35658 -5.21154 -7.97031 -5.21154 64.1846 45.3831 -7.97022 45.3832 -37.0503 GPRESSAVG: 2487800 -6.68238 -6.29126 -4.60058 -3.11842 62.4335 48.2926 -10.7058 45.019 -37.1053 TIMING: 2487800 CPU: 7497.4, 0.00297574/step Wall: 7497.4, 0.00297574/step, 2.07657 hours remaining, 210.429688 MB of memory in use. ENERGY: 2487800 767.3203 2140.5527 1938.0187 111.3597 -206537.1175 17842.5506 0.0000 0.0000 34458.9060 -149278.4096 300.9382 -183737.3155 -149185.4275 299.2978 -9.0494 21.6041 558183.8223 6.2592 6.2153 PRESSURE: 2488000 74.1843 -109.393 33.526 -109.393 207.194 -154.851 33.5258 -154.854 -167.387 GPRESSURE: 2488000 85.4274 -137.946 36.4074 -77.0927 201.45 -78.7524 13.5366 -187.593 -78.6268 PRESSAVG: 2488000 40.7651 -4.44725 -12.7686 -4.4473 -7.54544 16.3346 -12.7687 16.3346 -32.7481 GPRESSAVG: 2488000 40.3447 -5.16335 -16.7287 -7.10168 -7.61695 13.4111 -11.5274 17.5404 -32.1215 TIMING: 2488000 CPU: 7497.99, 0.00298113/step Wall: 7497.99, 0.00298113/step, 2.08017 hours remaining, 210.429688 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: 2488000 744.5381 2085.1825 1910.4551 121.4975 -206280.1195 17713.7983 0.0000 0.0000 34304.3050 -149400.3430 299.5880 -183704.6479 -149304.7575 299.0365 37.9972 69.4169 557902.1545 0.1572 0.2021 PRESSURE: 2488200 252.718 -104.05 -17.1028 -104.05 179.175 -297.813 -17.1019 -297.813 66.4585 GPRESSURE: 2488200 261.075 -146.56 -45.4142 -35.2033 196.58 -252.56 -21.9677 -294.906 115.555 PRESSAVG: 2488200 -15.1036 -1.42554 64.0922 -1.42562 12.7645 -15.1163 64.0922 -15.1164 -34.5811 GPRESSAVG: 2488200 -15.8431 -1.52183 63.5604 -0.417906 13.9726 -13.0724 62.8067 -17.5629 -34.9235 TIMING: 2488200 CPU: 7498.59, 0.00296123/step Wall: 7498.59, 0.00296123/step, 2.06612 hours remaining, 210.429688 MB of memory in use. ENERGY: 2488200 713.3929 2098.7510 1915.9754 113.7682 -206497.2575 18040.0958 0.0000 0.0000 34180.4891 -149434.7851 298.5067 -183615.2742 -149339.1654 298.8084 166.1171 191.0701 557479.3051 -12.3067 -12.2647 LDB: ============= START OF LOAD BALANCING ============== 7502.1 LDB: ============== END OF LOAD BALANCING =============== 7502.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7502.1 LDB: ============= START OF LOAD BALANCING ============== 7502.4 LDB: Largest compute 4772 load 0.029498 is 25.0% of average load 0.117992 LDB: Average compute 0.001725 is 1.5% of average load 0.117992 LDB: TIME 7502.4 LOAD: AVG 0.117992 MAX 0.206933 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.066 MB LDB: TIME 7502.4 LOAD: AVG 0.117992 MAX 0.206933 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.27 MB LDB: TIME 7502.4 LOAD: AVG 0.117992 MAX 0.206933 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.27 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7502.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7502.41 PRESSURE: 2488400 -242.56 -169.142 -115.291 -169.143 -17.4574 98.8893 -115.29 98.8904 197.532 GPRESSURE: 2488400 -199.685 -120.497 -196.991 -146.044 -17.8843 56.593 -100.211 139.718 249.76 PRESSAVG: 2488400 -2.83942 2.83937 -41.7517 2.83932 25.3076 -63.0806 -41.7517 -63.0804 -26.8965 GPRESSAVG: 2488400 -3.52045 4.17505 -39.8196 1.52519 24.6197 -63.2674 -40.8194 -61.5781 -26.11 TIMING: 2488400 CPU: 7499.19, 0.00301234/step Wall: 7499.19, 0.00301234/step, 2.10161 hours remaining, 208.941406 MB of memory in use. ENERGY: 2488400 743.8321 2085.0337 1945.5045 107.4656 -206264.7060 17685.9740 0.0000 0.0000 34285.8319 -149411.0642 299.4267 -183696.8961 -149309.7912 298.8476 -20.8286 10.7302 557431.8255 -1.4761 -1.6703 PRESSURE: 2488600 -75.0893 -51.6689 143 -51.6692 254.078 -162.21 143 -162.209 98.3182 GPRESSURE: 2488600 -65.9315 9.69568 113.015 -50.9581 277.137 -160.108 69.6897 -112.074 156.018 PRESSAVG: 2488600 -7.02381 28.9994 10.9187 28.9993 15.1818 -40.3094 10.9187 -40.3094 -12.9389 GPRESSAVG: 2488600 -6.32941 28.4564 8.37598 29.348 14.0066 -41.1198 10.6842 -39.8689 -12.4658 TIMING: 2488600 CPU: 7499.78, 0.00294962/step Wall: 7499.78, 0.00294962/step, 2.05769 hours remaining, 208.941406 MB of memory in use. ENERGY: 2488600 712.6046 2103.0062 1943.3569 101.0841 -206379.0259 17993.8627 0.0000 0.0000 34254.3076 -149270.8038 299.1514 -183525.1114 -149172.0055 299.2229 92.4357 122.4079 558853.0811 -1.5936 -1.5962 PRESSURE: 2488800 15.3511 -122.823 -97.5578 -122.823 76.4028 -19.2168 -97.5565 -19.217 18.9426 GPRESSURE: 2488800 78.6857 -121.287 -16.0485 -90.7148 63.7242 -110.859 -134.207 -72.6469 64.7879 PRESSAVG: 2488800 -43.9691 7.12693 8.7418 7.12696 -15.7976 -55.6229 8.74178 -55.6229 61.9268 GPRESSAVG: 2488800 -44.1331 8.03849 12.2441 4.435 -15.3332 -53.8278 6.55654 -55.7643 60.7834 TIMING: 2488800 CPU: 7500.37, 0.00296115/step Wall: 7500.37, 0.00296115/step, 2.06557 hours remaining, 208.941406 MB of memory in use. ENERGY: 2488800 739.5116 2088.3122 1922.2967 109.6881 -206337.6690 18005.5071 0.0000 0.0000 34415.6935 -149056.6598 300.5608 -183472.3533 -148958.6612 300.1338 36.8988 69.0659 559307.8911 0.7200 0.4390 PRESSURE: 2489000 -86.3078 -159.762 -49.3986 -159.762 9.30829 -87.6462 -49.3993 -87.6463 137.097 GPRESSURE: 2489000 -55.1295 -229.545 -92.858 -100.76 50.7529 -104.953 6.06036 -68.3071 152.646 PRESSAVG: 2489000 12.279 -10.1948 -27.2383 -10.1948 36.6258 -5.02718 -27.2385 -5.0271 7.08379 GPRESSAVG: 2489000 12.0415 -10.3255 -30.4739 -6.33061 37.1619 -6.32075 -26.2732 -4.10694 6.36708 TIMING: 2489000 CPU: 7500.97, 0.00297224/step Wall: 7500.97, 0.00297224/step, 2.07314 hours remaining, 208.941406 MB of memory in use. ENERGY: 2489000 727.3083 2106.2634 1934.2740 103.3441 -205962.2222 17870.5205 0.0000 0.0000 34419.1757 -148801.3363 300.5912 -183220.5120 -148708.6444 299.8345 20.0326 49.4231 558768.7571 18.6628 18.5235 PRESSURE: 2489200 114.484 -14.917 -29.9491 -14.9178 180.363 -71.7575 -29.9481 -71.7563 59.4618 GPRESSURE: 2489200 119.212 -15.2859 -20.874 -58.6697 218.24 -114.805 -9.2238 -44.4088 116.971 PRESSAVG: 2489200 26.2278 17.6456 -26.7269 17.6457 28.8191 -64.6701 -26.7269 -64.6701 -13.5625 GPRESSAVG: 2489200 25.8356 16.1055 -25.1491 17.1836 28.5314 -66.8584 -24.654 -62.4706 -12.5305 TIMING: 2489200 CPU: 7501.57, 0.00299749/step Wall: 7501.57, 0.00299749/step, 2.09058 hours remaining, 208.941406 MB of memory in use. ENERGY: 2489200 701.1347 2093.1822 1939.0475 113.2366 -206193.4595 18121.3464 0.0000 0.0000 34236.2211 -148989.2909 298.9934 -183225.5121 -148897.4652 300.2131 118.1032 151.4744 558014.7748 13.8281 13.9455 PRESSURE: 2489400 -114.112 -37.1481 71.013 -37.1486 43.7738 168.751 71.0137 168.752 55.0314 GPRESSURE: 2489400 -63.7486 -26.8398 84.4821 -25.1608 40.9019 195.719 49.1152 185.81 88.0766 PRESSAVG: 2489400 -34.8531 25.7894 52.9297 25.7895 58.5304 -1.50441 52.9297 -1.5044 -35.0082 GPRESSAVG: 2489400 -33.0969 26.1853 53.2452 25.4117 56.8825 -0.186026 51.4689 -4.26629 -35.3784 TIMING: 2489400 CPU: 7502.16, 0.00298622/step Wall: 7502.16, 0.00298622/step, 2.08256 hours remaining, 208.941406 MB of memory in use. ENERGY: 2489400 740.0607 2080.6478 1933.3475 111.0614 -205895.1741 17649.2133 0.0000 0.0000 34489.8844 -148890.9591 301.2087 -183380.8435 -148790.9318 300.0406 -5.1023 21.7433 557972.1197 -3.7770 -3.8643 PRESSURE: 2489600 -91.9194 47.7854 205.895 47.7841 -90.842 52.6565 205.896 52.6552 99.2192 GPRESSURE: 2489600 -97.3897 16.1245 113.493 127.531 -87.8309 52.5788 237.161 58.4988 197.234 PRESSAVG: 2489600 56.3776 43.959 -20.4346 43.959 -84.8606 -18.5284 -20.4346 -18.5283 23.7589 GPRESSAVG: 2489600 55.6911 44.5216 -22.8018 43.9068 -84.0594 -18.0559 -18.3127 -17.9309 23.2177 TIMING: 2489600 CPU: 7502.76, 0.00298473/step Wall: 7502.76, 0.00298473/step, 2.08135 hours remaining, 208.941406 MB of memory in use. ENERGY: 2489600 732.1742 2020.1614 1919.5065 110.3976 -205965.5453 17888.0095 0.0000 0.0000 34191.8228 -149103.4732 298.6057 -183295.2960 -149007.1953 299.8315 -27.8474 4.0046 559646.8495 -1.5747 -1.7169 PRESSURE: 2489800 -132.465 -10.0533 61.3882 -10.054 -163.478 -184.081 61.39 -184.081 -14.7246 GPRESSURE: 2489800 -123.55 -14.0599 110.691 -37.6082 -130.916 -234.514 24.0575 -163.233 43.9151 PRESSAVG: 2489800 6.31305 24.9312 6.60945 24.9313 -59.8047 -18.1274 6.60947 -18.1275 22.0705 GPRESSAVG: 2489800 4.81331 24.3999 7.53616 25.4769 -60.6661 -18.6551 5.08001 -17.6663 24.7402 TIMING: 2489800 CPU: 7503.36, 0.00300013/step Wall: 7503.36, 0.00300013/step, 2.09192 hours remaining, 208.941406 MB of memory in use. ENERGY: 2489800 719.3090 2054.8652 1944.5887 113.9000 -205704.3492 17658.0067 0.0000 0.0000 34117.2524 -149096.4273 297.9545 -183213.6797 -149008.8323 298.1693 -103.5560 -70.1836 559865.7672 -10.4737 -10.3709 PRESSURE: 2490000 -152.395 -40.7479 6.11279 -40.7477 -77.7964 210.923 6.11271 210.922 -87.8936 GPRESSURE: 2490000 -98.7072 -54.6822 -60.3982 -41.8781 -57.4682 195.981 23.2868 207.314 -76.292 PRESSAVG: 2490000 1.53383 -18.9389 23.3924 -18.939 -51.482 12.5562 23.3924 12.5561 32.5901 GPRESSAVG: 2490000 2.02534 -18.9206 23.1136 -20.1582 -51.5369 13.0881 23.1692 12.7891 32.2 TIMING: 2490000 CPU: 7503.96, 0.00298772/step Wall: 7503.96, 0.00298772/step, 2.0831 hours remaining, 209.144531 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: 2490000 734.7292 2087.0744 1928.7269 120.3321 -206218.9167 17760.9432 0.0000 0.0000 34222.8896 -149364.2212 298.8770 -183587.1108 -149267.3662 298.7437 -106.0283 -77.4891 557579.6373 -5.7860 -5.7705 PRESSURE: 2490200 -77.8054 134.498 -38.6021 134.497 -57.4773 122.036 -38.6029 122.035 -21.754 GPRESSURE: 2490200 -72.8121 185.059 -51.8313 174.466 -25.4762 53.2588 -21.4358 220.651 43.2099 PRESSAVG: 2490200 72.1565 42.2173 -31.5169 42.2174 -117.541 -4.81012 -31.517 -4.81003 -8.21925 GPRESSAVG: 2490200 73.6809 44.1462 -32.6017 41.4779 -117.322 -5.0121 -30.3898 -5.57013 -9.40764 TIMING: 2490200 CPU: 7504.55, 0.00296699/step Wall: 7504.55, 0.00296699/step, 2.06849 hours remaining, 209.144531 MB of memory in use. ENERGY: 2490200 740.1585 2117.6808 1940.9598 102.2022 -206394.9205 17814.2538 0.0000 0.0000 34153.0563 -149526.6091 298.2671 -183679.6654 -149426.0482 298.4407 -52.3456 -18.3595 556755.0356 -17.8680 -17.6829 PRESSURE: 2490400 -134.504 57.6598 278.412 57.659 -108.674 -116.117 278.41 -116.119 -162.567 GPRESSURE: 2490400 -104.342 100.508 261.088 68.6679 -67.9658 -147.333 279.412 -41.1068 -121.881 PRESSAVG: 2490400 61.2251 32.6577 34.4007 32.6577 -40.7757 -39.0401 34.4007 -39.0402 -37.9938 GPRESSAVG: 2490400 59.7901 31.6667 35.4546 32.1671 -40.3886 -39.0145 33.1814 -38.6464 -37.0118 TIMING: 2490400 CPU: 7505.15, 0.00299463/step Wall: 7505.15, 0.00299463/step, 2.08759 hours remaining, 209.144531 MB of memory in use. ENERGY: 2490400 742.6122 2056.8380 1933.2913 119.3705 -206053.3257 17480.7867 0.0000 0.0000 34240.4405 -149479.9863 299.0303 -183720.4269 -149378.7478 298.2274 -135.2483 -98.0629 555104.4880 -5.8481 -5.8701 PRESSURE: 2490600 -22.5468 21.7435 -65.1232 21.7422 34.1873 116.489 -65.1235 116.49 -64.456 GPRESSURE: 2490600 98.6769 42.6159 -35.7029 -3.19731 14.9588 123.031 -100.377 69.4492 -68.7233 PRESSAVG: 2490600 63.0235 59.3568 -2.96281 59.3568 -48.2077 -24.6004 -2.96273 -24.6004 -18.7144 GPRESSAVG: 2490600 65.2101 58.3204 -2.88251 60.988 -47.725 -22.2029 -1.77293 -26.549 -20.9213 TIMING: 2490600 CPU: 7505.75, 0.00298652/step Wall: 7505.75, 0.00298652/step, 2.08177 hours remaining, 209.347656 MB of memory in use. ENERGY: 2490600 762.0865 2030.9782 1913.7192 113.0186 -206574.0059 17912.7153 0.0000 0.0000 34230.8599 -149610.6281 298.9466 -183841.4880 -149505.3339 298.4699 -17.6051 14.9708 557332.4140 -1.2995 -1.1454 PRESSURE: 2490800 177.233 168.83 -30.4563 168.83 -115.297 110.027 -30.455 110.026 -208.202 GPRESSURE: 2490800 168.511 165.615 -64.5499 240.48 -68.3917 -7.12365 92.1069 147.786 -151.845 PRESSAVG: 2490800 25.2002 33.8218 19.5392 33.8218 24.0789 0.761787 19.5392 0.76169 -7.87758 GPRESSAVG: 2490800 23.6667 34.3283 18.9282 35.413 24.3029 -0.902634 18.5832 2.58981 -6.04308 TIMING: 2490800 CPU: 7506.34, 0.00296753/step Wall: 7506.34, 0.00296753/step, 2.06837 hours remaining, 209.347656 MB of memory in use. ENERGY: 2490800 792.5704 2125.7544 1928.0545 112.8621 -206631.0489 18011.3526 0.0000 0.0000 34058.8941 -149601.5607 297.4448 -183660.4548 -149503.3074 298.3697 -48.7553 -17.2419 557991.9171 13.8005 13.9755 PRESSURE: 2491000 -58.4931 -44.1008 23.7476 -44.1026 -14.8799 -77.3675 23.7479 -77.368 -220.654 GPRESSURE: 2491000 5.74314 -62.7958 80.4938 19.2008 -20.3731 -45.0065 0.409255 -57.9534 -189.833 PRESSAVG: 2491000 -11.0432 14.7288 39.7452 14.7289 118.418 -43.3562 39.7453 -43.3562 -89.1433 GPRESSAVG: 2491000 -11.2836 16.0633 42.0918 14.2002 118.506 -44.6818 38.3076 -42.8014 -89.1653 TIMING: 2491000 CPU: 7506.94, 0.00298686/step Wall: 7506.94, 0.00298686/step, 2.08168 hours remaining, 209.347656 MB of memory in use. ENERGY: 2491000 779.0462 2101.1749 1916.3005 96.6837 -206371.8099 17876.1177 0.0000 0.0000 33932.3958 -149670.0910 296.3401 -183602.4868 -149575.7966 297.8931 -98.0088 -68.1544 558579.1359 6.0771 6.0189 PRESSURE: 2491200 -161.286 -64.164 61.7784 -64.1635 76.7169 14.9842 61.7776 14.9845 -230.695 GPRESSURE: 2491200 -122.214 53.1709 106.477 -152.428 95.853 21.1184 12.681 -45.5918 -193.381 PRESSAVG: 2491200 20.4463 19.8708 19.8453 19.8707 3.77755 16.7023 19.8454 16.7024 -68.7037 GPRESSAVG: 2491200 21.004 18.1672 19.2327 19.117 4.49744 18.353 21.7374 14.8399 -69.3984 TIMING: 2491200 CPU: 7507.54, 0.00299001/step Wall: 7507.54, 0.00299001/step, 2.0837 hours remaining, 209.347656 MB of memory in use. ENERGY: 2491200 785.6146 2094.2651 1939.0918 124.8305 -206484.0071 17830.3755 0.0000 0.0000 33979.8112 -149730.0185 296.7541 -183709.8296 -149640.4055 297.8111 -105.0881 -73.2473 556799.8043 -14.8266 -14.6323 PRESSURE: 2491400 245.407 -49.3055 18.6321 -49.3066 -79.8142 -141.709 18.6315 -141.71 197.182 GPRESSURE: 2491400 302.072 -107.427 46.0772 34.6331 -30.4036 -132.418 50.4167 -129.599 188.774 PRESSAVG: 2491400 59.4138 -3.23139 -3.17805 -3.23152 -64.7835 -39.3235 -3.17803 -39.3235 6.40036 GPRESSAVG: 2491400 58.9068 -2.83134 -4.79007 -2.58672 -64.4275 -38.8928 -3.21131 -36.7909 6.38343 TIMING: 2491400 CPU: 7508.13, 0.00296881/step Wall: 7508.13, 0.00296881/step, 2.06876 hours remaining, 209.347656 MB of memory in use. ENERGY: 2491400 765.3151 2093.0968 1932.8286 118.0722 -206821.7046 18104.8452 0.0000 0.0000 34205.5213 -149602.0256 298.7253 -183807.5468 -149509.8518 297.9547 120.9252 153.4807 555909.3845 0.3435 0.2876 PRESSURE: 2491600 -60.1292 95.8066 -57.1152 95.8051 136.802 79.19 -57.1185 79.19 85.0086 GPRESSURE: 2491600 -18.0314 56.6007 28.8484 159.829 127.86 -8.31047 -42.092 150.458 152.807 PRESSAVG: 2491600 24.8951 -26.3578 -3.64542 -26.3578 -50.9545 12.5651 -3.64544 12.5651 28.2292 GPRESSAVG: 2491600 25.1835 -27.1071 -2.021 -26.7632 -51.7857 11.7567 -5.11415 13.1343 28.2241 TIMING: 2491600 CPU: 7508.72, 0.00296335/step Wall: 7508.72, 0.00296335/step, 2.0648 hours remaining, 209.347656 MB of memory in use. ENERGY: 2491600 728.5902 2104.2544 1935.4332 107.4587 -206865.4136 17954.2064 0.0000 0.0000 34333.4318 -149702.0388 299.8424 -184035.4706 -149607.2715 297.7510 53.8938 87.5450 556850.0752 0.7233 0.5406 PRESSURE: 2491800 2.17484 1.58479 -96.2694 1.58404 -108.478 5.26984 -96.2704 5.26734 -20.2056 GPRESSURE: 2491800 2.3945 -75.3314 -21.3356 68.6179 -95.3845 48.5819 -87.5004 13.0682 66.5149 PRESSAVG: 2491800 39.3282 17.0713 8.48556 17.0712 -29.4777 -3.34354 8.48557 -3.34347 13.6563 GPRESSAVG: 2491800 40.0894 18.3627 9.00217 16.0364 -30.7874 -3.12907 8.41629 -5.81619 13.9576 TIMING: 2491800 CPU: 7509.32, 0.00297519/step Wall: 7509.32, 0.00297519/step, 2.07288 hours remaining, 209.347656 MB of memory in use. ENERGY: 2491800 746.5666 2120.2129 1957.8813 104.0972 -206427.2169 17859.1941 0.0000 0.0000 33924.7842 -149714.4807 296.2736 -183639.2650 -149614.6250 297.4350 -42.1695 -8.8250 558854.0605 7.8356 7.7532 PRESSURE: 2492000 263.424 -97.401 -18.3349 -97.4021 25.9762 -95.7497 -18.3356 -95.7508 195.506 GPRESSURE: 2492000 300.079 -28.5408 43.5387 -163.132 85.3774 -107.335 -25.7028 -150.969 197.562 PRESSAVG: 2492000 58.2909 -9.2067 24.0991 -9.20663 -55.3396 -53.7214 24.0992 -53.7214 25.0379 GPRESSAVG: 2492000 57.6443 -10.6984 21.8155 -8.21614 -53.7845 -52.3138 25.7701 -53.9238 24.2889 TIMING: 2492000 CPU: 7509.92, 0.00300544/step Wall: 7509.92, 0.00300544/step, 2.09379 hours remaining, 209.347656 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: 2492000 733.8125 2047.7294 1942.2124 111.1189 -206976.9253 18264.0717 0.0000 0.0000 34239.9169 -149638.0634 299.0257 -183877.9804 -149542.0025 297.9581 161.6356 194.3394 556827.2749 9.3297 9.3829 PRESSURE: 2492200 -104.535 -198.753 168.748 -198.753 131.475 -8.62689 168.747 -8.62679 -106.455 GPRESSURE: 2492200 -130.162 -121.787 132.681 -160.464 175.663 3.97375 155.125 -18.3997 -29.6149 PRESSAVG: 2492200 -28.4046 23.9816 12.9649 23.9815 -37.2462 -59.6739 12.9648 -59.6739 27.9745 GPRESSAVG: 2492200 -29.3285 25.9146 13.5444 25.1748 -37.1911 -60.2331 13.6655 -57.455 29.29 TIMING: 2492200 CPU: 7510.52, 0.00299431/step Wall: 7510.52, 0.00299431/step, 2.08587 hours remaining, 209.347656 MB of memory in use. ENERGY: 2492200 802.0328 2064.0764 1977.8266 109.5850 -207002.1326 18089.8023 0.0000 0.0000 34279.5925 -149679.2169 299.3722 -183958.8094 -149575.5661 298.3469 -26.5046 5.2954 556369.4235 -12.5587 -12.4099 LDB: ============= START OF LOAD BALANCING ============== 7514.03 LDB: ============== END OF LOAD BALANCING =============== 7514.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7514.04 LDB: ============= START OF LOAD BALANCING ============== 7514.34 LDB: Largest compute 4800 load 0.028903 is 24.5% of average load 0.117982 LDB: Average compute 0.001721 is 1.5% of average load 0.117982 LDB: TIME 7514.34 LOAD: AVG 0.117982 MAX 0.207226 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.969 MB LDB: TIME 7514.34 LOAD: AVG 0.117982 MAX 0.207226 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.039 MB LDB: TIME 7514.34 LOAD: AVG 0.117982 MAX 0.207226 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.039 MB LDB: ============== END OF LOAD BALANCING =============== 7514.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7514.34 PRESSURE: 2492400 222.792 -39.678 38.9718 -39.6793 177.41 -30.7709 38.9707 -30.7703 150.123 GPRESSURE: 2492400 169.586 -29.3952 -42.2961 -27.3972 230.119 -12.4279 117.657 -33.4022 250.093 PRESSAVG: 2492400 18.1229 -53.2457 6.01281 -53.2457 15.1926 7.27448 6.01278 7.27441 -0.851182 GPRESSAVG: 2492400 18.2772 -54.6688 5.99493 -53.4498 15.0157 6.58695 5.27039 6.38822 -0.770409 TIMING: 2492400 CPU: 7511.13, 0.0030539/step Wall: 7511.13, 0.0030539/step, 2.12721 hours remaining, 209.765625 MB of memory in use. ENERGY: 2492400 732.8357 2076.2397 1940.5490 107.7985 -207030.7296 18088.5324 0.0000 0.0000 34403.8862 -149680.8882 300.4577 -184084.7744 -149589.8864 298.4934 183.4415 216.5996 555615.0865 10.8214 10.8408 PRESSURE: 2492600 -7.2465 60.8649 -72.5525 60.8647 2.46291 -149.622 -72.5529 -149.622 111.017 GPRESSURE: 2492600 45.0984 -22.2825 -41.8154 132.728 8.177 -166.397 -109.343 -75.7349 148.638 PRESSAVG: 2492600 32.0587 -59.9131 22.5077 -59.9131 21.8622 53.0023 22.5077 53.0023 -11.0763 GPRESSAVG: 2492600 33.3548 -59.1344 22.8611 -60.2929 21.4873 55.6138 21.8162 49.8529 -11.5453 TIMING: 2492600 CPU: 7511.73, 0.00299488/step Wall: 7511.73, 0.00299488/step, 2.08593 hours remaining, 209.968750 MB of memory in use. ENERGY: 2492600 713.8992 2095.8316 1968.9897 124.7804 -206528.5642 17921.9075 0.0000 0.0000 34014.9606 -149688.1951 297.0611 -183703.1556 -149594.2602 298.1245 35.4111 67.3046 555912.7774 14.2815 14.4323 PRESSURE: 2492800 81.1586 148.348 -36.77 148.349 215.674 6.29499 -36.7687 6.29372 69.1207 GPRESSURE: 2492800 141.046 121.75 2.19706 156.838 206.169 -61.037 -51.1451 128.483 106.634 PRESSAVG: 2492800 -58.8985 -27.0958 -20.934 -27.0959 67.4822 39.1236 -20.9338 39.1236 13.7845 GPRESSAVG: 2492800 -59.6356 -28.4189 -20.9707 -26.0947 68.3218 34.7275 -20.9422 43.3664 13.864 TIMING: 2492800 CPU: 7512.32, 0.00298148/step Wall: 7512.32, 0.00298148/step, 2.07643 hours remaining, 209.968750 MB of memory in use. ENERGY: 2492800 750.6044 2079.3290 1939.2443 112.9902 -206607.8260 18006.1814 0.0000 0.0000 34017.7850 -149701.6918 297.0858 -183719.4768 -149604.9376 297.5490 121.9843 151.2829 556304.4963 7.4561 7.5168 PRESSURE: 2493000 54.9114 -129.884 32.7467 -129.883 -140.159 31.5696 32.7471 31.5698 -44.4237 GPRESSURE: 2493000 50.8715 -95.2181 63.3162 -120.562 -52.4044 25.398 1.16854 -38.718 -17.1539 PRESSAVG: 2493000 -54.0341 -35.9898 -57.1973 -35.9898 17.1372 33.316 -57.1972 33.3161 -0.0607469 GPRESSAVG: 2493000 -53.2748 -37.4792 -55.9506 -36.275 18.4869 35.4092 -58.635 31.5237 -1.43691 TIMING: 2493000 CPU: 7512.92, 0.00300058/step Wall: 7512.92, 0.00300058/step, 2.08957 hours remaining, 209.968750 MB of memory in use. ENERGY: 2493000 758.9693 2111.0700 1953.6181 117.8776 -206377.9312 17777.0704 0.0000 0.0000 34082.8538 -149576.4722 297.6540 -183659.3260 -149484.0524 297.8679 -43.2237 -6.2289 556220.6884 -12.3192 -12.0749 PRESSURE: 2493200 -9.66308 -77.9294 133.334 -77.9288 85.5518 15.2893 133.335 15.2877 252.181 GPRESSURE: 2493200 39.0585 -14.3293 162.45 -57.8868 109.944 -13.982 168.462 30.182 284.748 PRESSAVG: 2493200 -45.2043 -30.3251 5.56704 -30.3251 22.265 33.8663 5.56695 33.8663 37.9488 GPRESSAVG: 2493200 -45.0289 -29.6289 4.73112 -32.3525 21.4283 33.8835 7.85727 32.6474 38.2749 TIMING: 2493200 CPU: 7513.52, 0.00300521/step Wall: 7513.52, 0.00300521/step, 2.09263 hours remaining, 209.968750 MB of memory in use. ENERGY: 2493200 750.4713 2062.2820 1949.2514 104.5637 -206745.6875 18143.3468 0.0000 0.0000 34117.0708 -149618.7014 297.9529 -183735.7722 -149524.5989 298.1842 109.3566 144.5833 556338.4873 5.0032 4.8914 PRESSURE: 2493400 2.5277 272.116 29.9634 272.117 -125.15 -22.1399 29.965 -22.139 54.5892 GPRESSURE: 2493400 30.5911 228.696 106.19 263.286 -129.343 -25.1312 -64.8484 -58.281 122.892 PRESSAVG: 2493400 -6.85308 10.3343 36.0001 10.3343 -2.11679 27.0733 35.9999 27.0734 -7.98518 GPRESSAVG: 2493400 -6.34298 11.548 37.0628 11.1921 -2.25798 25.0178 34.172 29.0212 -8.44772 TIMING: 2493400 CPU: 7514.12, 0.00299192/step Wall: 7514.12, 0.00299192/step, 2.0832 hours remaining, 209.968750 MB of memory in use. ENERGY: 2493400 740.9401 2122.4741 1936.6413 107.2171 -206659.3669 17976.6055 0.0000 0.0000 34023.7548 -149751.7340 297.1379 -183775.4888 -149654.3205 297.6867 -22.6776 8.0466 557895.2370 -5.6517 -5.6829 PRESSURE: 2493600 -120.515 -93.7221 -130.817 -93.7213 -99.4098 -146.247 -130.817 -146.247 31.5237 GPRESSURE: 2493600 -10.7523 -109.369 -47.5773 -75.6019 -60.142 -133.903 -99.9646 -150.108 -31.6761 PRESSAVG: 2493600 40.2954 8.77491 34.7188 8.77483 -17.7684 -4.16926 34.7188 -4.16912 -3.87079 GPRESSAVG: 2493600 40.9244 7.04719 35.4848 8.49768 -17.6422 -1.39367 34.9202 -5.84634 -5.11661 TIMING: 2493600 CPU: 7514.72, 0.00300636/step Wall: 7514.72, 0.00300636/step, 2.0931 hours remaining, 209.968750 MB of memory in use. ENERGY: 2493600 748.3362 2119.3677 1969.3445 102.8263 -206405.3238 17763.1701 0.0000 0.0000 34059.5729 -149642.7061 297.4507 -183702.2790 -149544.7743 298.0742 -62.8003 -34.1901 556437.7242 6.2187 6.0552 PRESSURE: 2493800 -42.7458 66.7293 -98.0779 66.7287 93.9797 66.1016 -98.0788 66.1005 -115.609 GPRESSURE: 2493800 -17.7189 99.9132 -18.6803 66.0667 115.011 95.0908 -73.0021 150.742 -46.5122 PRESSAVG: 2493800 64.1171 -40.006 -9.77387 -40.006 19.1208 12.9669 -9.77387 12.967 -36.3853 GPRESSAVG: 2493800 62.1005 -40.8142 -11.407 -37.3259 20.389 12.2202 -7.98203 14.2272 -35.2416 TIMING: 2493800 CPU: 7515.32, 0.00299547/step Wall: 7515.32, 0.00299547/step, 2.08534 hours remaining, 209.968750 MB of memory in use. ENERGY: 2493800 774.4684 2134.4148 1937.5929 106.0189 -206565.4318 17854.7422 0.0000 0.0000 34002.8712 -149755.3235 296.9555 -183758.1946 -149666.7075 298.9975 -21.4583 16.9266 557229.2045 15.6175 15.7493 PRESSURE: 2494000 267.458 -93.3245 20.5806 -93.3248 -78.3366 -3.09096 20.5799 -3.09134 -225.709 GPRESSURE: 2494000 332.281 -148.238 32.887 -45.4726 -38.3734 -120.263 -30.7195 68.4808 -240.945 PRESSAVG: 2494000 84.3387 -56.9266 6.92265 -56.9266 -39.9443 27.447 6.92261 27.447 -68.0134 GPRESSAVG: 2494000 84.2927 -55.7487 6.65229 -58.3714 -40.6427 26.5746 9.54172 27.2727 -67.3155 TIMING: 2494000 CPU: 7515.92, 0.00299224/step Wall: 7515.92, 0.00299224/step, 2.08293 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: 2494000 751.8497 2115.1401 1968.0832 99.0161 -206407.8520 17829.3271 0.0000 0.0000 33897.9284 -149746.5074 296.0390 -183644.4358 -149651.3997 297.3677 -12.1959 17.6545 556378.0311 -7.8730 -7.8885 PRESSURE: 2494200 62.7812 -47.3184 24.388 -47.3186 -177.686 39.4807 24.387 39.4811 -37.7561 GPRESSURE: 2494200 106.414 -67.4854 52.2812 -51.1888 -101.245 -17.9312 -56.3994 64.8524 -68.7846 PRESSAVG: 2494200 9.35086 55.4232 34.0071 55.4232 -42.3995 32.2617 34.0071 32.2616 31.1342 GPRESSAVG: 2494200 9.02445 56.6161 35.0205 54.9615 -41.2489 33.9158 32.2182 30.7684 30.3965 TIMING: 2494200 CPU: 7516.53, 0.00302015/step Wall: 7516.53, 0.00302015/step, 2.10219 hours remaining, 209.968750 MB of memory in use. ENERGY: 2494200 732.5159 2065.1294 1924.9817 112.4923 -206210.8498 17629.7428 0.0000 0.0000 34194.0593 -149551.9285 298.6252 -183745.9878 -149447.3377 296.9868 -50.8871 -21.2054 554510.4572 -0.6381 -0.6093 PRESSURE: 2494400 -285.499 60.1021 -104.745 60.1027 -104.916 133.405 -104.745 133.405 -235.419 GPRESSURE: 2494400 -244.521 44.6008 -90.8353 74.7725 -97.4921 136.037 -83.4427 101.353 -193.26 PRESSAVG: 2494400 3.94646 -7.98082 25.3596 -7.98089 -43.8697 46.9162 25.3597 46.9162 34.4995 GPRESSAVG: 2494400 5.39245 -7.44483 25.9735 -8.61982 -44.477 44.9507 22.9489 49.4809 33.55 TIMING: 2494400 CPU: 7517.13, 0.00301235/step Wall: 7517.13, 0.00301235/step, 2.09659 hours remaining, 209.968750 MB of memory in use. ENERGY: 2494400 773.3819 2062.5500 1920.0974 106.9367 -206282.5408 17598.8296 0.0000 0.0000 34256.0950 -149564.6503 299.1670 -183820.7453 -149474.8355 298.1346 -208.6114 -178.4244 558059.5768 -1.8079 -1.8449 PRESSURE: 2494600 148.072 74.2028 -254.542 74.2032 -94.5998 82.28 -254.542 82.2806 -144.625 GPRESSURE: 2494600 195.794 106.871 -221.555 9.71675 -79.3471 -11.5029 -257.009 158.154 -106.663 PRESSAVG: 2494600 61.899 -21.585 -21.9919 -21.585 6.86917 2.49817 -21.9919 2.49807 -53.3856 GPRESSAVG: 2494600 60.7463 -23.2403 -23.5105 -20.3422 7.06682 2.54368 -20.1626 0.169385 -52.4635 TIMING: 2494600 CPU: 7517.73, 0.0029976/step Wall: 7517.73, 0.0029976/step, 2.08616 hours remaining, 209.968750 MB of memory in use. ENERGY: 2494600 758.6743 2086.2651 1936.0675 120.0541 -206237.2022 17620.0574 0.0000 0.0000 34170.8707 -149545.2130 298.4227 -183716.0838 -149449.7352 298.3340 -30.3842 3.2614 555380.3240 5.1275 5.1165 PRESSURE: 2494800 292.972 -176.235 16.0484 -176.234 3.40096 131.852 16.0473 131.853 -108.593 GPRESSURE: 2494800 302.882 -150.223 -10.8116 -141.066 30.2497 136.274 -43.6416 142.85 -46.101 PRESSAVG: 2494800 103.001 -20.0387 -18.2205 -20.0387 11.9552 32.2917 -18.2206 32.2917 -49.1099 GPRESSAVG: 2494800 102.862 -19.2428 -17.1655 -20.3754 10.9864 34.3874 -20.2568 32.6606 -47.7421 TIMING: 2494800 CPU: 7518.33, 0.00300675/step Wall: 7518.33, 0.00300675/step, 2.09236 hours remaining, 209.968750 MB of memory in use. ENERGY: 2494800 748.3650 2095.6474 1929.8777 105.9503 -206440.9597 17905.8516 0.0000 0.0000 34388.0872 -149267.1804 300.3197 -183655.2676 -149173.1281 298.5018 62.5933 95.6769 557006.8319 21.9487 22.0354 PRESSURE: 2495000 227.299 -57.6589 223.424 -57.6599 -374.942 -147.637 223.424 -147.637 183.828 GPRESSURE: 2495000 259.25 -136.951 137.766 -56.3634 -369.291 -187.496 230.946 -65.6604 243.089 PRESSAVG: 2495000 16.342 -72.6627 20.5927 -72.6626 19.5107 56.1051 20.5928 56.1049 -55.7184 GPRESSAVG: 2495000 16.2304 -73.8516 19.6571 -72.5623 19.6781 56.3757 21.2938 56.1328 -56.6748 TIMING: 2495000 CPU: 7518.93, 0.00300527/step Wall: 7518.93, 0.00300527/step, 2.09116 hours remaining, 209.968750 MB of memory in use. ENERGY: 2495000 730.5691 2078.5691 1982.6482 109.7151 -206197.1110 17769.7985 0.0000 0.0000 34292.5336 -149233.2775 299.4852 -183525.8111 -149145.8729 299.0751 12.0617 44.3496 558137.5698 -6.6219 -6.9221 PRESSURE: 2495200 249.154 187.44 62.1431 187.44 -125.423 -28.2662 62.1432 -28.2653 65.3481 GPRESSURE: 2495200 292.201 227.979 104.742 135.205 -75.0342 -26.1961 58.1901 -95.7836 65.5262 PRESSAVG: 2495200 1.90481 2.7737 -15.3424 2.7737 55.6436 10.0913 -15.3423 10.0913 -47.4434 GPRESSAVG: 2495200 2.46862 4.40552 -15.3604 3.42125 56.3755 8.36041 -14.5151 9.36949 -47.8098 TIMING: 2495200 CPU: 7519.53, 0.0030108/step Wall: 7519.53, 0.0030108/step, 2.09485 hours remaining, 209.968750 MB of memory in use. ENERGY: 2495200 738.4595 2074.9504 1948.7735 102.7616 -206289.6897 17967.6191 0.0000 0.0000 34260.6101 -149196.5154 299.2064 -183457.1255 -149100.9144 299.0976 63.0263 94.2310 557182.5875 3.3683 3.6781 PRESSURE: 2495400 222.76 -0.562813 206.204 -0.561808 209.066 10.8371 206.204 10.8374 176.704 GPRESSURE: 2495400 210.934 7.54244 202.835 -0.638405 264.94 52.6105 204.754 -28.2792 216.688 PRESSAVG: 2495400 49.5613 -23.245 -13.727 -23.245 76.7444 2.26706 -13.7269 2.26694 -105.427 GPRESSAVG: 2495400 49.262 -23.2825 -12.169 -26.8074 76.245 3.17025 -14.6772 2.68242 -104.676 TIMING: 2495400 CPU: 7520.13, 0.00299726/step Wall: 7520.13, 0.00299726/step, 2.08526 hours remaining, 209.968750 MB of memory in use. ENERGY: 2495400 743.2506 2163.2119 1944.1239 114.5426 -206522.5391 18198.7010 0.0000 0.0000 34087.1531 -149271.5559 297.6916 -183358.7090 -149176.6770 298.9820 202.8435 230.8539 557330.7584 6.9597 6.9437 PRESSURE: 2495600 50.7432 -29.0746 -106.617 -29.0738 16.0864 42.0453 -106.617 42.0444 191.737 GPRESSURE: 2495600 143.406 38.2193 -148.971 29.3433 29.9455 92.1327 -166.318 -0.598557 171.691 PRESSAVG: 2495600 -17.2172 10.491 18.7888 10.491 72.0414 4.68104 18.7886 4.68118 -56.1767 GPRESSAVG: 2495600 -16.6791 8.6844 18.4111 12.9825 72.6439 2.62093 19.4929 5.74501 -56.893 TIMING: 2495600 CPU: 7520.74, 0.00302608/step Wall: 7520.74, 0.00302608/step, 2.10514 hours remaining, 209.968750 MB of memory in use. ENERGY: 2495600 741.0348 2043.1392 1969.3339 118.2051 -206492.9220 18037.9791 0.0000 0.0000 33989.5289 -149593.7010 296.8390 -183583.2299 -149484.8129 298.4914 86.1889 115.0142 556841.2237 -0.4508 -0.3094 PRESSURE: 2495800 -44.5335 -322.36 -11.1114 -322.361 136.7 -47.1412 -11.1113 -47.1422 -36.4685 GPRESSURE: 2495800 17.7767 -219.79 -35.3313 -321.674 132.098 0.612353 21.6764 -31.2257 4.32664 PRESSAVG: 2495800 -29.8669 -21.3025 -77.9425 -21.3026 20.2227 49.3448 -77.9425 49.3447 -31.8798 GPRESSAVG: 2495800 -29.4495 -20.2915 -77.8802 -21.8862 18.9236 49.8355 -78.4307 48.6098 -31.0884 TIMING: 2495800 CPU: 7521.34, 0.00304145/step Wall: 7521.34, 0.00304145/step, 2.11566 hours remaining, 209.968750 MB of memory in use. ENERGY: 2495800 785.2319 1999.2574 1965.3718 98.0617 -206499.9934 17806.0896 0.0000 0.0000 34345.1113 -149500.8697 299.9444 -183845.9810 -149411.0628 298.3042 18.5660 51.4005 556389.0710 -13.8414 -13.8714 PRESSURE: 2496000 -3.69163 -88.2906 -189.203 -88.2901 -96.8941 -178.9 -189.203 -178.9 -57.7189 GPRESSURE: 2496000 -31.3509 -73.6048 -123.011 -93.6374 24.5371 -157.916 -227.373 -210.021 -45.9396 PRESSAVG: 2496000 2.395 -14.9282 -48.0078 -14.9281 70.4661 31.4443 -48.0078 31.4444 -58.0235 GPRESSAVG: 2496000 1.43518 -14.2806 -47.072 -15.2538 70.8624 32.3553 -49.6915 31.7199 -57.673 TIMING: 2496000 CPU: 7521.95, 0.00304646/step Wall: 7521.95, 0.00304646/step, 2.11898 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: 2496000 740.4422 2060.9604 1959.2827 102.6101 -206124.1778 17660.6228 0.0000 0.0000 34203.3078 -149396.9519 298.7060 -183600.2597 -149299.5472 298.6705 -52.7682 -17.5845 557059.8980 4.9459 4.8749 PRESSURE: 2496200 -288.257 -114.593 41.4221 -114.594 -16.0595 -11.7579 41.4214 -11.7579 88.9733 GPRESSURE: 2496200 -231.449 -105.712 19.8119 -154.216 30.0854 -5.71594 53.3858 -31.2032 87.2941 PRESSAVG: 2496200 7.41822 -36.4073 -25.6205 -36.4072 28.5738 23.7687 -25.6205 23.7687 -20.6594 GPRESSAVG: 2496200 8.86668 -37.6151 -26.8081 -35.7565 28.0785 23.8582 -23.1146 23.5631 -21.2402 TIMING: 2496200 CPU: 7522.56, 0.00301576/step Wall: 7522.56, 0.00301576/step, 2.09746 hours remaining, 209.968750 MB of memory in use. ENERGY: 2496200 707.2112 2109.9354 1951.0912 105.2679 -205882.9216 17499.7861 0.0000 0.0000 34279.8277 -149229.8022 299.3743 -183509.6298 -149136.9995 299.0518 -71.7809 -38.0230 556873.1601 5.1109 5.2350 LDB: ============= START OF LOAD BALANCING ============== 7526.07 LDB: ============== END OF LOAD BALANCING =============== 7526.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7526.08 LDB: ============= START OF LOAD BALANCING ============== 7526.38 LDB: Largest compute 4772 load 0.029210 is 24.8% of average load 0.117948 LDB: Average compute 0.001719 is 1.5% of average load 0.117948 LDB: TIME 7526.38 LOAD: AVG 0.117948 MAX 0.207472 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.926 MB LDB: TIME 7526.38 LOAD: AVG 0.117948 MAX 0.207472 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.926 MB LDB: TIME 7526.38 LOAD: AVG 0.117948 MAX 0.207472 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.926 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7526.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7526.39 PRESSURE: 2496400 -22.9466 229.782 -93.0132 229.782 -180.844 76.9078 -93.0127 76.9059 -311.004 GPRESSURE: 2496400 66.6055 214.067 2.91485 192.036 -241.501 52.2472 -154.108 76.4595 -240.482 PRESSAVG: 2496400 -15.0942 14.3025 -30.5673 14.3025 16.6367 -26.9944 -30.5672 -26.9944 9.25512 GPRESSAVG: 2496400 -15.3131 13.1076 -29.7512 15.3323 16.6547 -27.2582 -32.5343 -26.2079 9.30073 TIMING: 2496400 CPU: 7523.17, 0.00306567/step Wall: 7523.17, 0.00306567/step, 2.132 hours remaining, 209.000000 MB of memory in use. ENERGY: 2496400 744.4220 2132.4992 1937.3272 109.9797 -206121.6146 17740.3518 0.0000 0.0000 34222.4738 -149234.5609 298.8734 -183457.0346 -149135.1287 299.6510 -171.5979 -138.4590 559629.1022 3.5992 3.5474 PRESSURE: 2496600 -181.084 178.693 -7.7081 178.694 175.779 -157.397 -7.70811 -157.399 109.754 GPRESSURE: 2496600 -176.979 103.427 -8.79516 196.29 260.446 -165.599 -76.061 -225.235 131.86 PRESSAVG: 2496600 23.9296 -1.43666 -9.09282 -1.43667 -71.9413 71.457 -9.09282 71.457 -23.1969 GPRESSAVG: 2496600 22.8204 1.2632 -9.89214 -2.36198 -71.1238 71.3969 -7.44041 71.0884 -23.0794 TIMING: 2496600 CPU: 7523.77, 0.00301475/step Wall: 7523.77, 0.00301476/step, 2.09643 hours remaining, 209.460938 MB of memory in use. ENERGY: 2496600 776.2576 2088.3064 1923.6147 118.7109 -206499.4990 18031.9833 0.0000 0.0000 34282.1840 -149278.4420 299.3948 -183560.6260 -149188.7539 299.0250 34.8166 71.7759 557614.6433 -23.7362 -23.7943 PRESSURE: 2496800 -319.765 22.1536 15.0977 22.1536 -51.3317 88.1134 15.0978 88.1129 220.786 GPRESSURE: 2496800 -318.049 9.76706 1.01622 62.802 3.58553 140.205 57.967 -18.6568 261.214 PRESSAVG: 2496800 11.5084 1.41247 20.7462 1.4124 -81.8489 -23.8605 20.7462 -23.8604 36.6766 GPRESSAVG: 2496800 11.061 1.13471 20.8675 1.08894 -81.8976 -24.133 20.2581 -23.5648 36.5853 TIMING: 2496800 CPU: 7524.37, 0.00298142/step Wall: 7524.37, 0.00298142/step, 2.07308 hours remaining, 209.460938 MB of memory in use. ENERGY: 2496800 730.2073 2078.3700 1935.3251 118.9459 -206267.9628 17789.1582 0.0000 0.0000 34246.9869 -149368.9693 299.0875 -183615.9562 -149271.5653 298.9464 -50.1036 -17.7498 557735.5777 -11.2213 -11.4171 PRESSURE: 2497000 -91.7983 -45.3929 -3.80738 -45.394 -142.17 -106.304 -3.80854 -106.304 -5.52892 GPRESSURE: 2497000 -17.3934 28.0427 -31.4423 -126.916 -94.1532 37.6896 -24.643 -152.837 -22.8139 PRESSAVG: 2497000 -11.2293 -23.925 3.02632 -23.9249 0.848068 -9.55424 3.0263 -9.55421 8.57303 GPRESSAVG: 2497000 -11.5943 -25.8417 3.65246 -24.0729 0.255715 -9.09697 3.88719 -9.15054 8.59747 TIMING: 2497000 CPU: 7524.96, 0.00297088/step Wall: 7524.96, 0.00297088/step, 2.06559 hours remaining, 209.460938 MB of memory in use. ENERGY: 2497000 751.7212 2158.0744 1951.1648 122.7636 -206189.2171 17679.2265 0.0000 0.0000 34077.0780 -149449.1887 297.6036 -183526.2666 -149358.6106 298.6464 -79.8324 -44.7868 557569.9815 -0.6027 -0.9137 PRESSURE: 2497200 181.654 -51.3623 -64.5566 -51.3631 133.31 -34.1357 -64.5559 -34.1364 -143.459 GPRESSURE: 2497200 227.973 -0.0681857 -131.799 -29.6735 162.311 -55.2226 -44.0822 -56.4836 -111.578 PRESSAVG: 2497200 2.55767 52.0924 -1.68493 52.0925 -7.38068 -2.71231 -1.68495 -2.71229 22.9465 GPRESSAVG: 2497200 2.97982 52.8489 -2.96685 52.2635 -7.09347 -1.6163 -1.29592 -2.05147 21.7543 TIMING: 2497200 CPU: 7525.56, 0.00300562/step Wall: 7525.56, 0.00300562/step, 2.08958 hours remaining, 209.460938 MB of memory in use. ENERGY: 2497200 751.0495 2105.4661 1942.8432 114.3770 -206564.9642 17916.9093 0.0000 0.0000 34276.3050 -149458.0142 299.3435 -183734.3192 -149363.5974 298.6834 57.1683 92.9023 556541.2037 6.0412 5.8802 PRESSURE: 2497400 -116.101 173.997 -143.666 173.997 -183.904 0.745886 -143.665 0.746949 -18.6646 GPRESSURE: 2497400 -65.8491 118.39 -182.894 173.022 -116.683 -55.5757 -126.286 -7.60629 -39.3672 PRESSAVG: 2497400 2.25326 32.9992 -10.1109 32.9992 34.7854 -41.4233 -10.111 -41.4234 -75.8592 GPRESSAVG: 2497400 1.65292 33.9462 -7.86903 31.8528 33.9765 -42.6189 -11.2614 -41.2712 -74.7131 TIMING: 2497400 CPU: 7526.16, 0.00297171/step Wall: 7526.16, 0.00297171/step, 2.06583 hours remaining, 209.460938 MB of memory in use. ENERGY: 2497400 745.5532 2141.6816 1971.0552 115.9480 -206735.6599 17922.6742 0.0000 0.0000 34318.1651 -149520.5826 299.7091 -183838.7477 -149426.7502 298.1339 -106.2231 -73.9664 557981.7863 -12.9402 -13.0279 PRESSURE: 2497600 28.0327 82.6546 106.158 82.6557 68.3884 -42.3067 106.158 -42.3068 -96.7513 GPRESSURE: 2497600 58.5926 91.7927 131.144 53.4548 121.207 -89.678 130.564 53.5729 -89.1902 PRESSAVG: 2497600 24.3621 -24.8248 -35.8944 -24.8247 -35.2048 -29.7652 -35.8944 -29.7651 49.4175 GPRESSAVG: 2497600 24.9111 -25.7761 -37 -23.2822 -35.1417 -27.8884 -35.1276 -30.8887 48.2426 TIMING: 2497600 CPU: 7526.76, 0.00299459/step Wall: 7526.76, 0.00299459/step, 2.08157 hours remaining, 209.460938 MB of memory in use. ENERGY: 2497600 725.7566 2091.4439 1964.0050 111.7442 -206698.9935 18089.0511 0.0000 0.0000 34140.7089 -149576.2838 298.1593 -183716.9927 -149470.7877 298.4581 -0.1101 30.2033 557248.8033 12.8583 12.6707 PRESSURE: 2497800 30.1902 103.118 -120.491 103.119 12.2133 13.7306 -120.491 13.7302 -167.083 GPRESSURE: 2497800 56.4786 19.5645 -140.708 219.861 44.7041 -70.2317 -66.6855 47.211 -128.238 PRESSAVG: 2497800 20.8213 42.4478 -11.7226 42.4478 18.6149 14.0233 -11.7225 14.0233 -16.1016 GPRESSAVG: 2497800 20.5326 42.644 -11.7898 43.6104 17.6304 12.2533 -12.3966 14.3253 -15.2925 TIMING: 2497800 CPU: 7527.36, 0.00300191/step Wall: 7527.36, 0.00300191/step, 2.08649 hours remaining, 209.460938 MB of memory in use. ENERGY: 2497800 756.6605 2170.7255 1960.4588 109.7970 -206686.2816 17880.8286 0.0000 0.0000 34216.1230 -149591.6881 298.8179 -183807.8111 -149496.0322 297.7561 -41.5599 -9.0185 557418.9997 7.7782 7.6235 PRESSURE: 2498000 46.3675 -17.3204 -151.172 -17.3214 32.0107 20.7479 -151.172 20.7469 221.025 GPRESSURE: 2498000 8.863 -90.688 -192.423 8.66382 111.851 74.2414 -128.846 2.69509 272.221 PRESSAVG: 2498000 -26.3858 -7.43259 -25.2189 -7.43256 -18.126 -35.9693 -25.2188 -35.9693 -13.6073 GPRESSAVG: 2498000 -26.0446 -8.82915 -23.8419 -8.71485 -17.5643 -36.9729 -26.3786 -35.2368 -14.9494 TIMING: 2498000 CPU: 7527.96, 0.003012/step Wall: 7527.96, 0.003012/step, 2.09334 hours remaining, 209.460938 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: 2498000 737.6100 2126.2109 1932.2910 112.6159 -206403.7243 17877.9282 0.0000 0.0000 34269.4705 -149347.5978 299.2838 -183617.0683 -149251.1886 298.5965 99.8011 130.9784 557299.3893 -19.3730 -19.5194 PRESSURE: 2498200 143.77 -69.3567 36.3589 -69.3575 115.499 24.8292 36.3575 24.8301 193.397 GPRESSURE: 2498200 138.183 -90.2014 19.3814 -99.2683 136.48 70.3516 16.1709 74.2919 266.221 PRESSAVG: 2498200 -47.3307 0.274412 -20.2703 0.274392 38.5858 13.2423 -20.2703 13.2424 61.2834 GPRESSAVG: 2498200 -47.1853 2.65411 -21.2677 -0.531979 38.1275 12.9692 -19.2568 13.1895 61.4617 TIMING: 2498200 CPU: 7528.56, 0.00301877/step Wall: 7528.56, 0.00301877/step, 2.09787 hours remaining, 209.460938 MB of memory in use. ENERGY: 2498200 736.5548 2129.5053 1967.1612 123.8329 -206260.4164 17994.7538 0.0000 0.0000 34061.3936 -149247.2148 297.4666 -183308.6084 -149154.5660 300.0412 150.8886 180.2946 557364.2203 17.5128 17.4680 PRESSURE: 2498400 -96.3861 23.0584 50.4563 23.0583 -178.141 23.8012 50.4551 23.8017 -78.0514 GPRESSURE: 2498400 -63.6348 -20.6212 104.689 -29.9283 -112.445 53.9018 -35.0656 -17.6499 -73.2259 PRESSAVG: 2498400 -17.0636 -6.87822 -37.9747 -6.87829 -17.1784 2.59771 -37.9747 2.59757 29.6892 GPRESSAVG: 2498400 -18.2137 -7.14444 -38.2375 -5.68026 -16.051 5.24919 -38.0417 1.76032 29.8275 TIMING: 2498400 CPU: 7529.17, 0.00302265/step Wall: 7529.17, 0.00302265/step, 2.10041 hours remaining, 209.460938 MB of memory in use. ENERGY: 2498400 753.7825 2068.6133 1955.2535 114.4434 -205922.7494 17557.2553 0.0000 0.0000 34203.7750 -149269.6263 298.7101 -183473.4013 -149170.6569 299.5232 -117.5262 -83.1020 556911.2497 -1.5176 -1.4791 PRESSURE: 2498600 132.035 -68.8959 -57.2969 -68.8953 -55.4727 31.8767 -57.2967 31.8771 -75.9896 GPRESSURE: 2498600 147.656 -113.022 -75.411 -132.02 -45.8226 47.3219 -99.3314 -21.9216 -0.72994 PRESSAVG: 2498600 14.1144 8.73627 -34.5315 8.73618 -70.3519 51.9756 -34.5314 51.9756 64.8634 GPRESSAVG: 2498600 15.422 9.10646 -34.5676 7.86864 -71.1517 52.597 -35.9662 52.5437 64.5388 TIMING: 2498600 CPU: 7529.77, 0.00301596/step Wall: 7529.77, 0.00301596/step, 2.09559 hours remaining, 209.460938 MB of memory in use. ENERGY: 2498600 731.5076 2123.5356 1917.8951 111.3157 -206583.2999 17944.8284 0.0000 0.0000 34353.8797 -149400.3377 300.0210 -183754.2174 -149306.7803 299.3757 0.1908 33.7010 557219.5239 2.8753 2.9364 PRESSURE: 2498800 -43.5763 -15.1524 -81.7503 -15.1511 -256.24 58.7427 -81.7512 58.7427 -9.21186 GPRESSURE: 2498800 1.78749 20.5487 -17.3217 -56.1539 -212.421 103.361 -146.105 46.7175 13.9643 PRESSAVG: 2498800 -7.38398 -25.4591 -61.0242 -25.4591 -51.3476 -39.4152 -61.0241 -39.4152 71.7221 GPRESSAVG: 2498800 -7.76711 -27.4725 -60.6243 -25.9483 -50.7907 -41.2151 -60.3102 -40.3125 72.0231 TIMING: 2498800 CPU: 7530.37, 0.00301064/step Wall: 7530.37, 0.00301064/step, 2.09173 hours remaining, 209.460938 MB of memory in use. ENERGY: 2498800 761.3850 2083.3321 1948.8346 119.4012 -205866.1908 17536.7435 0.0000 0.0000 34172.4452 -149244.0492 298.4365 -183416.4944 -149143.9396 299.3960 -103.0094 -65.5564 558113.1709 4.3302 4.4884 PRESSURE: 2499000 14.3704 54.2131 -39.8788 54.214 -62.1947 -22.1436 -39.8784 -22.1455 -29.6625 GPRESSURE: 2499000 69.0434 20.4597 -59.5284 61.7631 -59.3436 -10.4379 -17.5828 -26.3624 15.4572 PRESSAVG: 2499000 27.2088 36.7559 -13.1755 36.7559 -33.4866 13.1449 -13.1755 13.145 14.961 GPRESSAVG: 2499000 27.1127 38.4199 -12.1666 36.6078 -33.7821 12.4116 -12.7343 13.8431 15.3627 TIMING: 2499000 CPU: 7530.97, 0.0029764/step Wall: 7530.97, 0.0029764/step, 2.06777 hours remaining, 209.460938 MB of memory in use. ENERGY: 2499000 792.4919 2114.3233 1911.1205 107.0424 -206355.0052 17893.4701 0.0000 0.0000 34387.2694 -149149.2876 300.3126 -183536.5570 -149055.7804 299.3340 -25.8289 8.3856 557711.0421 2.8944 2.8978 PRESSURE: 2499200 133.23 49.5645 131.609 49.5647 75.6236 87.0498 131.609 87.0486 203.682 GPRESSURE: 2499200 160.535 86.5471 84.2653 53.7812 92.5061 -40.0544 113.431 169.506 238.845 PRESSAVG: 2499200 -13.7157 -30.5429 -17.5438 -30.5429 -25.5081 22.3367 -17.5439 22.3366 -7.09715 GPRESSAVG: 2499200 -13.6506 -31.4426 -18.6994 -29.5805 -25.9073 21.1145 -15.4287 20.4952 -6.81133 TIMING: 2499200 CPU: 7531.57, 0.00301115/step Wall: 7531.57, 0.00301115/step, 2.09175 hours remaining, 209.460938 MB of memory in use. ENERGY: 2499200 746.7820 2131.1624 1921.6589 111.9778 -205927.3047 17894.9218 0.0000 0.0000 34082.3828 -149038.4191 297.6499 -183120.8019 -148943.4983 300.2610 137.5119 163.9620 558078.8623 -15.4403 -15.4564 PRESSURE: 2499400 -69.8928 -68.4857 -236.269 -68.4853 138.942 80.3641 -236.269 80.3615 -50.4095 GPRESSURE: 2499400 -46.4333 -25.2446 -222 -57.0414 191.86 21.1314 -147.317 98.1508 -36.6956 PRESSAVG: 2499400 7.27215 29.6234 -9.58573 29.6234 -14.8984 24.204 -9.58581 24.204 28.4809 GPRESSAVG: 2499400 7.86945 28.4927 -12.121 27.903 -15.1825 25.4128 -10.3578 26.2746 27.7947 TIMING: 2499400 CPU: 7532.18, 0.00302836/step Wall: 7532.18, 0.00302836/step, 2.10353 hours remaining, 209.460938 MB of memory in use. ENERGY: 2499400 733.9135 2117.2540 1919.4997 111.8177 -206362.3165 17962.2868 0.0000 0.0000 34263.3726 -149254.1723 299.2306 -183517.5449 -149159.5939 298.7658 6.2131 36.2438 556637.5250 6.9516 6.8272 PRESSURE: 2499600 -108.527 68.9272 -58.1161 68.9252 200.501 226.979 -58.1153 226.979 117.66 GPRESSURE: 2499600 -45.1241 99.365 -74.4548 128.559 196.435 154.293 20.2773 147.65 165.946 PRESSAVG: 2499600 -2.02906 -4.00355 -17.3967 -4.00361 -30.8866 44.9275 -17.3968 44.9275 72.9677 GPRESSAVG: 2499600 -2.26025 -2.24702 -16.2296 -2.29134 -30.5414 47.0561 -18.1293 42.9876 73.1269 TIMING: 2499600 CPU: 7532.78, 0.00301115/step Wall: 7532.78, 0.00301115/step, 2.09141 hours remaining, 209.531250 MB of memory in use. ENERGY: 2499600 758.5823 2056.5445 1936.6857 105.9422 -206508.2294 18088.5077 0.0000 0.0000 34283.7797 -149278.1872 299.4088 -183561.9669 -149170.8858 299.1323 69.8777 105.7522 556580.0798 13.3507 13.4418 PRESSURE: 2499800 -19.7758 9.03471 194.959 9.03517 -269.602 143.361 194.957 143.362 -416.941 GPRESSURE: 2499800 -8.02399 36.6682 249.483 -37.0877 -234.626 177.641 103.148 121.86 -371.821 PRESSAVG: 2499800 -36.4669 -5.44047 8.73059 -5.44048 -7.19541 86.0977 8.73049 86.0977 46.6169 GPRESSAVG: 2499800 -37.791 -6.8001 11.3058 -6.19734 -6.28343 85.9156 7.96969 86.5866 46.8435 TIMING: 2499800 CPU: 7533.38, 0.00300672/step Wall: 7533.38, 0.00300672/step, 2.08817 hours remaining, 209.531250 MB of memory in use. ENERGY: 2499800 732.1007 2105.5810 1935.9419 107.4311 -205974.9309 17517.7381 0.0000 0.0000 34273.5046 -149302.6335 299.3190 -183576.1381 -149206.9214 299.3409 -235.4394 -204.8236 558708.8848 0.9849 0.9230 PRESSURE: 2500000 -48.9938 -8.91778 -37.7764 -8.91911 221.46 -15.7973 -37.7762 -15.7982 -142.007 GPRESSURE: 2500000 69.524 40.6757 -51.4265 -9.64334 209.496 25.9902 -103.229 12.9727 -149.128 PRESSAVG: 2500000 -28.0422 14.0314 60.713 14.0315 8.0614 20.0239 60.713 20.0239 -34.0731 GPRESSAVG: 2500000 -26.693 15.7386 60.1306 15.1854 8.14218 18.9285 59.4898 20.8394 -35.1057 TIMING: 2500000 CPU: 7533.99, 0.0030258/step Wall: 7533.99, 0.0030258/step, 2.10125 hours remaining, 209.531250 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: 2500000 762.4865 2077.2970 1948.8725 109.5347 -206198.9732 17811.7350 0.0000 0.0000 34204.4143 -149284.6333 298.7157 -183489.0475 -149190.4106 299.3715 10.1531 43.2971 556431.4020 -18.0180 -17.8855 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2500000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 2500000 WRITING COORDINATES TO RESTART FILE AT STEP 2500000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2500000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2500200 -193.059 -100.32 -65.1483 -100.32 -193.679 117.617 -65.1479 117.616 125.285 GPRESSURE: 2500200 -143.211 -56.6318 -73.5671 38.8933 -150.836 98.132 44.9746 115.465 131.991 PRESSAVG: 2500200 -1.4391 24.5592 9.38573 24.5592 5.08835 21.2979 9.38571 21.2979 7.70368 GPRESSAVG: 2500200 -1.58293 22.6754 7.93317 26.0302 4.31061 21.2461 12.2957 21.3709 9.0659 TIMING: 2500200 CPU: 7534.6, 0.00308847/step Wall: 7534.6, 0.00308847/step, 2.1446 hours remaining, 209.656250 MB of memory in use. ENERGY: 2500200 736.5016 2124.3306 1949.6152 117.4143 -205893.1650 17496.5795 0.0000 0.0000 34164.5021 -149304.2216 298.3671 -183468.7237 -149210.7115 299.7534 -87.1510 -54.0185 557683.5126 3.7843 3.9312 LDB: ============= START OF LOAD BALANCING ============== 7538.12 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7538.12 LDB: =============== DONE WITH MIGRATION ================ 7538.12 LDB: ============= START OF LOAD BALANCING ============== 7538.42 LDB: Largest compute 4772 load 0.029045 is 24.6% of average load 0.117986 LDB: Average compute 0.001722 is 1.5% of average load 0.117986 LDB: TIME 7538.43 LOAD: AVG 0.117986 MAX 0.211003 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.406 MB LDB: TIME 7538.43 LOAD: AVG 0.117986 MAX 0.211003 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.406 MB LDB: TIME 7538.43 LOAD: AVG 0.117986 MAX 0.211003 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.406 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7538.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7538.43 PRESSURE: 2500400 17.2031 -44.3897 170.5 -44.3891 -134.674 13.3847 170.499 13.386 149.366 GPRESSURE: 2500400 43.9301 -52.6542 242.046 -129.414 -132.701 63.9489 118.289 1.94887 215.177 PRESSAVG: 2500400 30.3135 17.1783 11.1415 17.1783 -71.4051 39.008 11.1414 39.0081 39.203 GPRESSAVG: 2500400 30.5128 16.4349 11.5121 12.6154 -71.0707 40.7163 10.8056 38.2593 38.7819 TIMING: 2500400 CPU: 7535.22, 0.00306268/step Wall: 7535.22, 0.00306268/step, 2.12652 hours remaining, 209.460938 MB of memory in use. ENERGY: 2500400 759.7569 2097.3924 1939.6992 108.0424 -206448.2579 17770.7432 0.0000 0.0000 34221.4083 -149551.2155 298.8641 -183772.6238 -149456.6853 298.8483 10.6317 42.1353 556180.1878 -0.6295 -0.5920 PRESSURE: 2500600 13.6823 -7.12727 81.5111 -7.12688 -380.285 160.474 81.5105 160.474 -295.017 GPRESSURE: 2500600 50.5027 -52.381 41.7032 -27.6248 -311.823 155.596 48.5498 229.129 -292.4 PRESSAVG: 2500600 13.5952 6.0091 25.1898 6.00901 -40.8202 -21.7158 25.1898 -21.7158 -10.5317 GPRESSAVG: 2500600 13.5529 8.58095 25.1931 9.16464 -40.3648 -23.0954 25.5754 -21.9773 -10.6562 TIMING: 2500600 CPU: 7535.82, 0.00301809/step Wall: 7535.82, 0.0030181/step, 2.0954 hours remaining, 209.531250 MB of memory in use. ENERGY: 2500600 763.6928 2066.8450 1913.8916 107.8588 -206148.4391 17585.5420 0.0000 0.0000 34197.9726 -149512.6363 298.6594 -183710.6089 -149419.6104 298.8463 -220.5399 -184.5732 556495.1523 -12.5856 -12.4894 PRESSURE: 2500800 114.784 53.6188 -220.088 53.6185 143.935 166.115 -220.089 166.114 270.043 GPRESSURE: 2500800 181.054 93.2106 -186.721 52.2006 166.593 203.096 -205.997 155.03 274.224 PRESSAVG: 2500800 -27.2656 14.0916 -17.7613 14.0916 -0.13532 8.06402 -17.7613 8.064 33.169 GPRESSAVG: 2500800 -26.5746 13.6477 -14.8007 13.1338 -1.35627 7.84126 -20.339 7.54705 33.6381 TIMING: 2500800 CPU: 7536.42, 0.0030223/step Wall: 7536.42, 0.0030223/step, 2.09815 hours remaining, 209.531250 MB of memory in use. ENERGY: 2500800 739.4264 2042.9965 1919.4208 109.9486 -206610.1263 18079.4731 0.0000 0.0000 34186.4088 -149532.4522 298.5584 -183718.8610 -149436.5048 298.5680 176.2543 207.2902 555043.5427 1.9227 1.9024 PRESSURE: 2501000 -74.9721 96.3402 -38.3136 96.3397 -97.0663 55.3632 -38.3134 55.3631 -236.74 GPRESSURE: 2501000 -59.3717 91.4015 -51.4718 85.9239 -42.88 17.7134 -34.0845 59.0469 -203.718 PRESSAVG: 2501000 24.2556 47.2963 -6.09552 47.2963 -28.2842 54.3468 -6.09549 54.3467 -19.9522 GPRESSAVG: 2501000 24.6704 48.3066 -7.42373 45.7775 -27.1173 55.7219 -5.73019 55.5925 -20.8373 TIMING: 2501000 CPU: 7537.03, 0.00301643/step Wall: 7537.03, 0.00301643/step, 2.09391 hours remaining, 209.531250 MB of memory in use. ENERGY: 2501000 710.3785 2126.0465 1948.7515 121.3896 -206154.9609 17647.2136 0.0000 0.0000 33967.5257 -149633.6555 296.6469 -183601.1812 -149532.9227 297.6126 -136.2596 -101.9898 556324.5693 -7.9936 -7.7614 PRESSURE: 2501200 -190.034 -114.303 -57.0066 -114.304 -246.898 53.6686 -57.0067 53.669 -387.316 GPRESSURE: 2501200 -180.9 -166.623 0.020819 -48.6982 -233.056 111.647 -145.274 102.923 -322.406 PRESSAVG: 2501200 3.80854 -23.2475 54.593 -23.2475 -11.0907 -0.366998 54.593 -0.366978 -1.49706 GPRESSAVG: 2501200 3.17152 -24.0228 51.4041 -21.8364 -11.1322 -4.14628 56.4555 -0.641271 -0.754271 TIMING: 2501200 CPU: 7537.63, 0.00300371/step Wall: 7537.63, 0.00300371/step, 2.08491 hours remaining, 209.531250 MB of memory in use. ENERGY: 2501200 725.6785 2058.5305 1944.7610 123.0994 -206015.2677 17448.5909 0.0000 0.0000 34045.8100 -149668.7975 297.3305 -183714.6075 -149570.5764 297.3578 -274.7494 -245.4542 558481.5792 -2.9264 -2.9050 PRESSURE: 2501400 -176.412 -90.5999 26.6422 -90.5997 -247.52 14.9829 26.6411 14.9817 -140.012 GPRESSURE: 2501400 -109.823 -61.9304 69.0752 -109.468 -227.778 -26.3871 82.1189 21.1651 -118.645 PRESSAVG: 2501400 10.226 -33.8107 2.84919 -33.8107 -19.094 -39.3794 2.84906 -39.3794 -36.9518 GPRESSAVG: 2501400 10.1903 -35.7438 2.80226 -33.1392 -19.0234 -38.7724 5.38764 -39.3658 -37.1371 TIMING: 2501400 CPU: 7538.24, 0.00303708/step Wall: 7538.24, 0.00303708/step, 2.1079 hours remaining, 209.531250 MB of memory in use. ENERGY: 2501400 770.0953 2021.5035 1920.7649 112.4435 -206121.3808 17686.4525 0.0000 0.0000 34074.3207 -149535.8005 297.5795 -183610.1212 -149436.3082 298.1902 -187.9812 -152.0822 558057.2427 -15.2733 -15.3234 PRESSURE: 2501600 -263.751 66.0562 63.0082 66.0568 170.912 94.8344 63.0065 94.8352 158.682 GPRESSURE: 2501600 -252.943 38.6033 -19.5404 41.9412 198.766 55.1426 51.7764 124.093 200.716 PRESSAVG: 2501600 9.34862 13.9689 -4.46592 13.969 3.09489 37.7064 -4.46594 37.7064 11.1818 GPRESSAVG: 2501600 9.6029 15.2374 -4.04143 14.679 3.68479 39.2821 -6.92248 37.8903 10.5118 TIMING: 2501600 CPU: 7538.84, 0.00303766/step Wall: 7538.84, 0.00303766/step, 2.10814 hours remaining, 209.531250 MB of memory in use. ENERGY: 2501600 747.0514 2077.4508 1905.2534 101.2329 -206031.1605 17718.8265 0.0000 0.0000 34039.4797 -149441.8657 297.2752 -183481.3454 -149353.6604 297.6972 21.9477 48.8462 558119.0077 7.8751 7.9332 PRESSURE: 2501800 -80.4148 14.268 130.464 14.2673 -107.461 42.6073 130.464 42.6062 -167.419 GPRESSURE: 2501800 -76.7479 119.276 131.997 -50.7365 -46.807 -13.5006 184.642 7.64761 -135.102 PRESSAVG: 2501800 25.9866 28.892 -31.1021 28.892 41.3935 -36.3702 -31.1021 -36.3701 -56.5618 GPRESSAVG: 2501800 25.371 29.1485 -29.3919 27.6511 42.0506 -38.8472 -31.283 -34.0268 -56.6663 TIMING: 2501800 CPU: 7539.44, 0.00299537/step Wall: 7539.44, 0.00299537/step, 2.07862 hours remaining, 209.531250 MB of memory in use. ENERGY: 2501800 735.2340 2149.2626 1937.4377 121.3107 -206012.7934 17516.1156 0.0000 0.0000 34278.6379 -149274.7948 299.3639 -183553.4327 -149178.6225 298.9309 -118.4316 -86.2190 558465.6955 3.6061 3.5851 PRESSURE: 2502000 83.1822 134.356 -105.735 134.356 99.9615 -30.9778 -105.736 -30.9785 -274.997 GPRESSURE: 2502000 89.9026 37.3729 -100.686 151.522 129.927 -33.3737 -79.3348 -19.1869 -217.996 PRESSAVG: 2502000 26.9399 18.3955 -12.3164 18.3956 -8.29586 -0.11905 -12.3164 -0.119171 -10.1517 GPRESSAVG: 2502000 27.8657 17.2169 -14.1137 18.9399 -9.61324 0.426184 -10.2256 -1.59926 -9.69151 TIMING: 2502000 CPU: 7540.04, 0.00298368/step Wall: 7540.04, 0.00298368/step, 2.07034 hours remaining, 209.531250 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: 2502000 785.0443 2146.0438 1949.7218 109.0476 -206364.4893 17800.9495 0.0000 0.0000 34281.3100 -149292.3723 299.3872 -183573.6823 -149196.5736 298.9161 -30.6176 0.6113 557808.8672 2.8308 2.8536 PRESSURE: 2502200 19.6975 299.683 131.329 299.682 46.1432 58.8597 131.329 58.8591 112.304 GPRESSURE: 2502200 88.7563 299.141 112.43 267.894 20.5837 28.492 93.6351 57.8044 155.151 PRESSAVG: 2502200 -53.3371 68.6654 42.372 68.6655 11.7214 10.9138 42.372 10.9137 37.5499 GPRESSAVG: 2502200 -52.5525 67.6714 44.2707 69.8806 10.9487 12.429 39.7153 10.4284 37.5074 TIMING: 2502200 CPU: 7540.64, 0.00300442/step Wall: 7540.64, 0.00300442/step, 2.08457 hours remaining, 209.531250 MB of memory in use. ENERGY: 2502200 733.4877 2097.9803 1934.8739 112.0489 -206244.6949 17840.9763 0.0000 0.0000 34316.0990 -149209.2288 299.6910 -183525.3278 -149112.5432 299.1444 59.3817 88.1638 557142.8818 -1.3553 -1.3655 PRESSURE: 2502400 -227.989 -6.20265 -4.09108 -6.20307 -42.8578 88.7544 -4.09175 88.7534 -45.2614 GPRESSURE: 2502400 -250.251 -25.8573 15.2212 45.1894 22.5635 130.577 -4.62743 116.129 8.18634 PRESSAVG: 2502400 -63.023 14.0211 22.7638 14.0211 35.5877 39.9118 22.7638 39.9119 -28.4328 GPRESSAVG: 2502400 -63.9172 16.2782 22.0541 10.6746 37.0851 38.8756 22.3015 40.1305 -28.1315 TIMING: 2502400 CPU: 7541.24, 0.00301578/step Wall: 7541.24, 0.00301578/step, 2.09228 hours remaining, 209.531250 MB of memory in use. ENERGY: 2502400 775.7697 2104.9119 1966.8021 112.0681 -206190.9416 17585.0271 0.0000 0.0000 34262.2251 -149384.1375 299.2205 -183646.3626 -149287.8969 299.7027 -105.3696 -73.1670 556174.4536 -18.6227 -18.3212 PRESSURE: 2502600 -75.1627 -55.8626 -13.5431 -55.8638 -47.0647 -166.56 -13.5434 -166.56 -122.061 GPRESSURE: 2502600 -36.5139 -6.18234 -56.6444 -70.9709 -20.6053 -139.666 -8.61908 -223.658 -85.1468 PRESSAVG: 2502600 -73.3728 -17.6843 49.7538 -17.6842 16.2572 7.08338 49.7538 7.08328 8.38555 GPRESSAVG: 2502600 -71.535 -16.9008 49.4825 -16.9571 14.4401 7.99125 51.8789 6.93248 8.77709 TIMING: 2502600 CPU: 7541.84, 0.00299683/step Wall: 7541.84, 0.00299683/step, 2.07897 hours remaining, 209.531250 MB of memory in use. ENERGY: 2502600 746.8789 2054.4994 1934.5977 102.1305 -206053.6964 17598.6678 0.0000 0.0000 34422.2391 -149194.6830 300.6180 -183616.9221 -149105.0816 299.6126 -81.4296 -47.4220 557924.6048 -16.2433 -16.1059 PRESSURE: 2502800 -276.68 37.3924 33.2808 37.3928 423.05 134.136 33.2805 134.135 222.683 GPRESSURE: 2502800 -232.191 39.5643 -15.4872 53.9367 450.636 144.298 86.1387 162.473 241.876 PRESSAVG: 2502800 -40.1962 -27.0416 69.5437 -27.0417 0.0903055 7.30944 69.5437 7.30954 22.6216 GPRESSAVG: 2502800 -43.0737 -27.9875 69.4419 -26.2639 2.1577 8.35243 69.0047 8.39923 22.9619 TIMING: 2502800 CPU: 7542.45, 0.00302172/step Wall: 7542.45, 0.00302172/step, 2.09607 hours remaining, 209.531250 MB of memory in use. ENERGY: 2502800 758.7269 2100.6845 1917.9240 129.1699 -206459.7696 18139.4007 0.0000 0.0000 34234.2430 -149179.6205 298.9762 -183413.8635 -149079.9997 299.9804 123.0177 153.4400 556655.5829 -5.8281 -5.9847 PRESSURE: 2503000 230.081 -123.637 -55.8976 -123.639 155.655 -38.1317 -55.8979 -38.1327 153.147 GPRESSURE: 2503000 227.319 -102.314 -49.2224 -146.006 212.798 22.8132 -57.7467 -155.288 186.862 PRESSAVG: 2503000 -42.864 -3.24091 15.7516 -3.24083 41.4986 7.75983 15.7516 7.75983 40.0547 GPRESSAVG: 2503000 -41.5877 -3.7753 16.6031 -1.89674 40.6968 5.26241 14.2817 7.14787 39.5806 TIMING: 2503000 CPU: 7543.05, 0.00301707/step Wall: 7543.05, 0.00301707/step, 2.09268 hours remaining, 209.531250 MB of memory in use. ENERGY: 2503000 795.4352 2102.0027 1926.5754 117.8944 -206258.3893 17977.5708 0.0000 0.0000 34286.1058 -149052.8050 299.4291 -183338.9108 -148954.8782 300.0651 179.6278 208.9927 556532.3653 12.8964 12.8966 PRESSURE: 2503200 -265.823 79.1365 -31.71 79.1359 -36.3566 -140.222 -31.7094 -140.224 71.124 GPRESSURE: 2503200 -251.401 139.763 -1.79525 77.2719 37.1435 -131.654 -53.6637 -163.057 89.7082 PRESSAVG: 2503200 16.9521 -4.73586 -8.12898 -4.73584 -19.5952 -49.5235 -8.12892 -49.5236 33.1587 GPRESSAVG: 2503200 17.5504 -3.63895 -8.73566 -5.73018 -19.2915 -49.2771 -6.62052 -49.0754 32.7345 TIMING: 2503200 CPU: 7543.65, 0.00301971/step Wall: 7543.65, 0.00301971/step, 2.09434 hours remaining, 209.531250 MB of memory in use. ENERGY: 2503200 771.1408 2151.8942 1940.9026 110.8781 -206478.3314 17776.1947 0.0000 0.0000 34448.3598 -149278.9613 300.8461 -183727.3210 -149180.2730 300.0805 -77.0186 -41.5165 556295.7323 10.1719 10.3311 PRESSURE: 2503400 116.475 -90.3653 -85.2711 -90.366 -25.7911 -95.1014 -85.2708 -95.0998 202.455 GPRESSURE: 2503400 76.2953 -4.87295 3.72349 -182.104 -2.36088 -50.9787 -67.1732 -27.8927 323.32 PRESSAVG: 2503400 -22.1163 -14.6755 14.8701 -14.6754 -53.9888 -38.4006 14.8701 -38.4007 101.038 GPRESSAVG: 2503400 -22.8239 -16.1101 14.4238 -15.3577 -53.9275 -34.9713 14.6464 -40.5776 101.351 TIMING: 2503400 CPU: 7544.26, 0.00301545/step Wall: 7544.26, 0.00301545/step, 2.09121 hours remaining, 209.531250 MB of memory in use. ENERGY: 2503400 738.7909 2054.1851 1937.1002 105.7598 -206361.6448 17975.9391 0.0000 0.0000 34584.5268 -148965.3431 302.0353 -183549.8698 -148864.8493 300.0727 97.7129 132.4180 556867.6361 8.3108 8.1997 PRESSURE: 2503600 -131.403 -131.04 10.975 -131.04 -123.134 84.5129 10.9741 84.5115 10.3431 GPRESSURE: 2503600 -74.201 -134.44 -13.1368 -188.202 -83.9525 26.0888 -10.8884 29.8106 8.12221 PRESSAVG: 2503600 -19.6957 -36.4903 -2.20002 -36.4903 -23.6531 -39.6583 -2.19996 -39.6583 88.7472 GPRESSAVG: 2503600 -19.9564 -37.8219 2.46288 -34.4257 -23.2829 -42.5515 -3.55666 -38.8787 88.2299 TIMING: 2503600 CPU: 7544.86, 0.00302799/step Wall: 7544.86, 0.00302799/step, 2.09974 hours remaining, 209.531250 MB of memory in use. ENERGY: 2503600 769.5377 2149.8800 1943.6424 125.5417 -205907.4271 17670.4231 0.0000 0.0000 34259.0780 -148989.3243 299.1930 -183248.4023 -148890.3169 300.7228 -81.3982 -50.0104 558258.9714 15.1328 14.9969 PRESSURE: 2503800 143.245 -53.4228 -54.0091 -53.4234 108.862 -81.9935 -54.0088 -81.9935 18.8905 GPRESSURE: 2503800 130.301 -28.7062 -69.4159 -15.8787 189.834 -101.5 -49.4399 -98.8019 48.6371 PRESSAVG: 2503800 1.00606 -16.5762 -15.3121 -16.5761 31.6022 56.2929 -15.3121 56.293 -16.8998 GPRESSAVG: 2503800 1.02579 -14.6176 -17.9675 -18.4429 30.9308 57.0543 -14.4885 55.8728 -15.7735 TIMING: 2503800 CPU: 7545.46, 0.00298807/step Wall: 7545.46, 0.00298807/step, 2.07189 hours remaining, 209.531250 MB of memory in use. ENERGY: 2503800 755.9821 2082.3982 1943.4358 117.2776 -206218.4778 17902.8034 0.0000 0.0000 34079.1403 -149337.4405 297.6216 -183416.5807 -149239.2038 299.9251 90.3325 122.9240 558163.3551 5.2362 5.3944 PRESSURE: 2504000 64.4113 -58.7803 34.4721 -58.7786 -51.196 -77.8132 34.4728 -77.8138 343.223 GPRESSURE: 2504000 42.8123 49.2796 -9.34601 -164.094 41.7001 -38.9546 -13.2111 -20.3164 381.81 PRESSAVG: 2504000 30.8957 -5.29213 -7.93426 -5.29214 1.21845 -27.0011 -7.93431 -27.0011 -17.894 GPRESSAVG: 2504000 32.5286 -6.00123 -10.048 -4.94931 2.23784 -28.1868 -6.83844 -26.1971 -20.331 TIMING: 2504000 CPU: 7546.06, 0.00298424/step Wall: 7546.06, 0.00298424/step, 2.06907 hours remaining, 209.531250 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: 2504000 715.1290 2049.3386 1951.8689 118.0762 -206574.0040 18031.6543 0.0000 0.0000 34294.6377 -149413.2993 299.5036 -183707.9370 -149316.5420 299.2734 118.8128 155.4407 557240.3421 4.7401 4.8118 PRESSURE: 2504200 -103.888 -75.6929 -128.926 -75.6928 -101.942 107.594 -128.927 107.594 -227.992 GPRESSURE: 2504200 -55.9139 -107.216 -87.2375 -6.93853 -31.8066 139.103 -114.04 61.488 -240.079 PRESSAVG: 2504200 37.0235 0.325887 19.5768 0.325878 26.2165 -21.9071 19.5769 -21.907 -26.0642 GPRESSAVG: 2504200 36.5352 2.18692 22.1321 -0.305718 25.1771 -21.252 21.1357 -22.6417 -24.624 TIMING: 2504200 CPU: 7546.66, 0.00300473/step Wall: 7546.66, 0.00300473/step, 2.08311 hours remaining, 209.531250 MB of memory in use. ENERGY: 2504200 744.3947 2133.3543 1937.4766 100.5187 -206423.4924 17779.4408 0.0000 0.0000 34173.8035 -149554.5037 298.4483 -183728.3072 -149462.0921 298.8590 -144.6073 -109.2664 557887.1136 12.3919 12.3628 LDB: ============= START OF LOAD BALANCING ============== 7550.18 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7550.18 LDB: =============== DONE WITH MIGRATION ================ 7550.18 LDB: ============= START OF LOAD BALANCING ============== 7550.48 LDB: Largest compute 4772 load 0.029950 is 25.4% of average load 0.117962 LDB: Average compute 0.001731 is 1.5% of average load 0.117962 LDB: TIME 7550.48 LOAD: AVG 0.117962 MAX 0.208632 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.789 MB LDB: TIME 7550.48 LOAD: AVG 0.117962 MAX 0.208632 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.789 MB LDB: TIME 7550.48 LOAD: AVG 0.117962 MAX 0.208632 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.789 MB LDB: ============== END OF LOAD BALANCING =============== 7550.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7550.49 PRESSURE: 2504400 -36.1504 243.406 150.998 243.407 30.8849 -13.0001 150.998 -12.9977 -168.155 GPRESSURE: 2504400 57.537 197.106 89.8593 231.969 22.36 30.1303 189.492 -43.6447 -148.768 PRESSAVG: 2504400 38.6983 7.67257 12.5905 7.6725 24.068 -15.1947 12.5905 -15.1949 -60.0365 GPRESSAVG: 2504400 38.7248 5.15577 11.411 9.01761 24.0761 -14.8809 11.8296 -16.461 -59.9938 TIMING: 2504400 CPU: 7547.27, 0.00306519/step Wall: 7547.27, 0.00306519/step, 2.12486 hours remaining, 209.199219 MB of memory in use. ENERGY: 2504400 700.9590 2085.0844 1946.7730 109.3329 -206018.3655 17593.0916 0.0000 0.0000 34121.5985 -149461.5262 297.9924 -183583.1247 -149364.7682 298.1346 -57.8069 -22.9570 557980.1569 0.9100 0.9357 PRESSURE: 2504600 115.104 -31.3332 22.1446 -31.3324 21.3478 -16.8132 22.1438 -16.8132 -196.028 GPRESSURE: 2504600 135.003 -23.123 100.059 -133.008 49.6016 31.707 -0.994261 -75.2177 -145.208 PRESSAVG: 2504600 -6.47202 24.7995 45.9192 24.7996 49.4827 -49.051 45.9192 -49.051 -37.1805 GPRESSAVG: 2504600 -7.26113 25.7519 47.1075 23.8719 49.4372 -48.5467 46.7716 -47.7469 -36.9519 TIMING: 2504600 CPU: 7547.87, 0.00297984/step Wall: 7547.87, 0.00297984/step, 2.06553 hours remaining, 209.269531 MB of memory in use. ENERGY: 2504600 757.5430 2100.4956 1926.7354 107.3019 -206457.7693 17823.7736 0.0000 0.0000 34293.4888 -149448.4310 299.4936 -183741.9198 -149359.2090 298.4214 -19.8587 13.1321 556773.2298 1.9434 1.7414 PRESSURE: 2504800 -74.6249 72.044 174.856 72.0437 -256.443 -65.1127 174.856 -65.1133 -80.7892 GPRESSURE: 2504800 -26.5159 56.8752 74.5131 36.492 -245.13 -20.9578 199.92 -81.9197 -38.7616 PRESSAVG: 2504800 67.5562 18.7202 -7.62298 18.7203 -72.1603 21.669 -7.62294 21.6692 1.89209 GPRESSAVG: 2504800 67.8204 17.954 -6.37443 18.6875 -72.2921 22.576 -9.86423 18.8238 1.99609 TIMING: 2504800 CPU: 7548.48, 0.00304427/step Wall: 7548.48, 0.00304427/step, 2.11002 hours remaining, 209.269531 MB of memory in use. ENERGY: 2504800 779.3008 2112.9127 1930.0651 109.4075 -206210.4657 17640.9996 0.0000 0.0000 34225.2622 -149412.5178 298.8977 -183637.7800 -149317.4369 298.6076 -137.2858 -103.4692 557370.5719 -0.9040 -0.8252 PRESSURE: 2505000 -238.856 -28.6195 122.345 -28.6189 -55.4185 -84.8438 122.345 -84.844 -102.991 GPRESSURE: 2505000 -193.139 -28.263 158.284 -39.0378 -54.9676 16.8202 86.5495 -131.476 -57.2001 PRESSAVG: 2505000 8.87346 23.4566 -31.8937 23.4566 -73.3499 14.2649 -31.8937 14.2648 61.3722 GPRESSAVG: 2505000 8.41116 25.547 -33.5138 24.3076 -73.2444 14.6652 -31.143 15.0834 61.7626 TIMING: 2505000 CPU: 7549.09, 0.00306335/step Wall: 7549.09, 0.00306335/step, 2.12307 hours remaining, 209.269531 MB of memory in use. ENERGY: 2505000 777.8674 2078.7302 1961.4606 109.0409 -206172.2238 17640.9383 0.0000 0.0000 34236.0041 -149368.1822 298.9915 -183604.1864 -149270.2593 298.9319 -132.4220 -101.7689 556497.4853 -1.0347 -1.0235 PRESSURE: 2505200 -75.0705 79.5601 -22.6444 79.5595 -95.5651 -52.5262 -22.6445 -52.5262 -171.29 GPRESSURE: 2505200 -33.4458 75.523 -53.0933 -2.5118 -86.5348 49.5811 -63.4374 -125.165 -124.661 PRESSAVG: 2505200 34.9142 19.5651 13.6725 19.5651 -4.14317 40.7486 13.6724 40.7486 11.5154 GPRESSAVG: 2505200 35.7442 19.2675 12.8212 20.1856 -4.45645 41.5782 13.2215 40.7836 11.1271 TIMING: 2505200 CPU: 7549.7, 0.00305104/step Wall: 7549.7, 0.00305104/step, 2.11437 hours remaining, 209.269531 MB of memory in use. ENERGY: 2505200 757.3024 2139.6067 1944.9339 122.8184 -206135.7799 17633.1620 0.0000 0.0000 34243.1869 -149294.7696 299.0543 -183537.9566 -149197.2654 298.8765 -113.9752 -81.5471 557093.6854 14.0954 14.1383 PRESSURE: 2505400 -333.629 164.667 103.463 164.667 -197.497 73.8545 103.463 73.8534 8.12295 GPRESSURE: 2505400 -297.826 94.9984 131.322 195.561 -127.751 136.325 171.967 26.6262 -8.2135 PRESSAVG: 2505400 -25.993 -10.4265 38.7864 -10.4265 27.1085 -3.5411 38.7865 -3.54117 21.7681 GPRESSAVG: 2505400 -25.0737 -9.89502 39.8897 -12.6809 27.0221 -5.11445 40.6604 -2.67392 20.7138 TIMING: 2505400 CPU: 7550.31, 0.00305105/step Wall: 7550.31, 0.00305105/step, 2.11421 hours remaining, 209.269531 MB of memory in use. ENERGY: 2505400 741.1251 2150.8101 1921.2319 128.1092 -206251.9978 17674.7681 0.0000 0.0000 34297.5974 -149338.3561 299.5294 -183635.9535 -149247.1417 298.8558 -174.3344 -144.5969 556942.7203 7.6279 7.5541 PRESSURE: 2505600 -50.1637 -22.7669 -74.3972 -22.7679 -132.588 4.80224 -74.3973 4.80209 -31.0691 GPRESSURE: 2505600 -25.7392 -41.1517 -130.896 -71.4144 -84.3037 -63.8729 -25.2923 19.3023 3.36497 PRESSAVG: 2505600 -35.2824 37.5392 25.8868 37.5393 22.0948 42.1746 25.8867 42.1746 59.8226 GPRESSAVG: 2505600 -36.1448 34.2026 26.0849 38.8241 22.0094 42.3404 24.9002 41.8181 61.0644 TIMING: 2505600 CPU: 7550.92, 0.00303816/step Wall: 7550.92, 0.00303816/step, 2.10511 hours remaining, 209.269531 MB of memory in use. ENERGY: 2505600 743.1261 2115.8215 1933.9984 106.8200 -206217.1992 17738.8784 0.0000 0.0000 34147.9854 -149430.5694 298.2229 -183578.5549 -149329.4742 298.9384 -71.2736 -35.5593 556635.6356 15.5450 15.6430 PRESSURE: 2505800 -251.496 73.1336 -32.8206 73.1342 -296.018 -19.1905 -32.8216 -19.1912 -203.302 GPRESSURE: 2505800 -240.135 32.1019 -18.2154 97.7707 -252.447 -81.5808 -120.499 -6.82094 -151.536 PRESSAVG: 2505800 -51.9593 7.72974 8.16785 7.72968 1.31971 12.414 8.16792 12.414 29.5452 GPRESSAVG: 2505800 -53.0593 9.89112 6.75706 8.9389 2.18743 12.102 7.49455 12.2078 30.3879 TIMING: 2505800 CPU: 7551.52, 0.00302046/step Wall: 7551.52, 0.00302046/step, 2.09268 hours remaining, 209.269531 MB of memory in use. ENERGY: 2505800 791.5061 2133.5798 1942.7413 108.8529 -206227.1710 17638.8116 0.0000 0.0000 34182.4933 -149429.1859 298.5242 -183611.6792 -149335.1837 298.5296 -250.2718 -214.7061 558078.4276 -7.0314 -6.8280 PRESSURE: 2506000 -6.25106 -12.0119 -40.0151 -12.0108 -92.622 -97.2893 -40.0139 -97.2898 86.72 GPRESSURE: 2506000 18.0949 51.3806 -41.9257 -64.1058 -26.6667 -99.203 -12.2122 5.97408 94.9826 PRESSAVG: 2506000 -15.1598 33.2225 -9.0213 33.2224 39.9635 19.18 -9.02124 19.1798 -22.8041 GPRESSAVG: 2506000 -13.2491 30.7588 -8.64729 32.7981 40.363 17.743 -10.2114 20.129 -24.6845 TIMING: 2506000 CPU: 7552.12, 0.00301319/step Wall: 7552.12, 0.00301319/step, 2.08747 hours remaining, 209.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2506000 755.2507 2151.7422 1952.8981 105.6482 -206295.0479 17750.2609 0.0000 0.0000 34119.9393 -149459.3085 297.9779 -183579.2478 -149367.9677 299.2799 -4.0510 28.8036 556472.9409 0.6665 0.8098 PRESSURE: 2506200 -253.181 -47.7483 -15.7903 -47.7494 188.945 29.4604 -15.792 29.4621 -241.343 GPRESSURE: 2506200 -208.697 -11.2685 -38.7104 -37.1267 224.319 -12.8518 -7.75836 81.1908 -223.09 PRESSAVG: 2506200 5.66439 1.02832 10.9777 1.02827 7.17687 12.435 10.9777 12.4348 -14.8058 GPRESSAVG: 2506200 5.52987 3.1288 12.4947 0.534129 5.94061 13.2605 11.979 11.7251 -13.7245 TIMING: 2506200 CPU: 7552.73, 0.00303839/step Wall: 7552.73, 0.00303839/step, 2.10476 hours remaining, 209.269531 MB of memory in use. ENERGY: 2506200 725.1110 2149.6569 1936.4391 101.1937 -206514.1533 17853.3185 0.0000 0.0000 34222.4692 -149525.9648 298.8733 -183748.4340 -149425.1146 299.1464 -101.8599 -69.1558 558685.0682 -0.6549 -0.7513 PRESSURE: 2506400 -43.4693 -89.6423 -133.576 -89.6422 56.4413 223.93 -133.576 223.929 245.143 GPRESSURE: 2506400 22.3277 -66.106 -91.3693 -121.184 65.9213 115.192 -108.014 220.544 266.674 PRESSAVG: 2506400 -13.0137 -12.6308 -37.6835 -12.6308 19.4618 13.72 -37.6836 13.72 -12.5024 GPRESSAVG: 2506400 -13.6846 -9.74661 -39.6209 -13.5398 19.3489 12.0477 -37.4183 14.4155 -11.6343 TIMING: 2506400 CPU: 7553.33, 0.002998/step Wall: 7553.33, 0.002998/step, 2.07661 hours remaining, 209.269531 MB of memory in use. ENERGY: 2506400 774.5974 2140.4102 1927.2842 119.1710 -206601.8086 18077.2128 0.0000 0.0000 34278.7328 -149284.4001 299.3647 -183563.1330 -149189.1969 299.0626 86.0383 118.3076 557196.4512 -2.0181 -1.9900 PRESSURE: 2506600 1.98959 0.077929 -36.5074 0.0775247 49.6274 4.0342 -36.5074 4.03401 -60.6439 GPRESSURE: 2506600 48.0087 24.3319 -37.365 -15.9071 90.0678 52.4907 27.5591 -17.8019 -35.502 PRESSAVG: 2506600 -29.0125 -30.0489 16.0194 -30.049 -3.50304 22.2428 16.0194 22.2427 49.0559 GPRESSAVG: 2506600 -28.1773 -31.8011 16.9509 -29.224 -2.3109 23.3678 15.3334 21.4031 47.2319 TIMING: 2506600 CPU: 7553.93, 0.00299551/step Wall: 7553.93, 0.00299551/step, 2.07472 hours remaining, 209.269531 MB of memory in use. ENERGY: 2506600 770.5010 2133.9426 1942.7208 133.3852 -206144.3830 17734.5237 0.0000 0.0000 34218.9053 -149210.4044 298.8422 -183429.3097 -149111.2983 299.4484 -3.0090 34.1915 555540.6962 5.5134 5.5812 PRESSURE: 2506800 189.474 -51.5959 -35.0789 -51.597 209.296 -10.8724 -35.0797 -10.8748 147.889 GPRESSURE: 2506800 287.456 -18.7356 -38.4417 -4.95236 172.605 -14.1372 -47.8491 -67.0785 197.216 PRESSAVG: 2506800 -17.1861 -18.6249 -39.3563 -18.6251 3.13672 18.7457 -39.3562 18.7456 41.7053 GPRESSAVG: 2506800 -17.1314 -20.2457 -39.7143 -17.6894 3.13325 18.9773 -36.4204 17.6439 41.3556 TIMING: 2506800 CPU: 7554.53, 0.00299055/step Wall: 7554.53, 0.00299055/step, 2.07112 hours remaining, 209.269531 MB of memory in use. ENERGY: 2506800 751.6084 2129.5273 1935.3772 123.8258 -206329.9832 18008.2479 0.0000 0.0000 34179.0813 -149202.3153 298.4944 -183381.3966 -149101.7677 299.1116 182.2195 219.0925 556848.7996 9.2187 9.1192 PRESSURE: 2507000 124.121 127.429 -75.9723 127.428 -58.0193 23.5912 -75.9713 23.5916 11.1682 GPRESSURE: 2507000 218.44 42.8165 -46.8518 242.119 -83.2634 -25.819 -155.366 18.0406 37.9631 PRESSAVG: 2507000 30.9585 13.8101 -23.4884 13.8101 -13.9829 -10.0892 -23.4884 -10.0891 -11.2168 GPRESSAVG: 2507000 30.605 14.9684 -22.8799 12.2986 -14.6349 -9.05275 -25.009 -10.1394 -10.3421 TIMING: 2507000 CPU: 7555.13, 0.0030261/step Wall: 7555.13, 0.0030261/step, 2.09558 hours remaining, 209.472656 MB of memory in use. ENERGY: 2507000 772.8197 2149.8853 1935.5410 103.9397 -206218.9297 17752.9129 0.0000 0.0000 34270.5113 -149233.3198 299.2929 -183503.8310 -149138.5142 299.0874 25.7566 57.7133 555993.7381 1.9196 1.8760 PRESSURE: 2507200 47.1973 -99.6319 -47.5445 -99.6314 -146 -110.99 -47.5449 -110.991 -93.8881 GPRESSURE: 2507200 92.7238 -234.275 -45.3284 47.9058 -127.735 -102.64 -86.0607 -112.974 -75.8711 PRESSAVG: 2507200 -18.3675 -14.8773 -0.466195 -14.8773 -71.3468 -25.8796 -0.466223 -25.8795 70.2608 GPRESSAVG: 2507200 -18.2894 -15.9126 -2.24358 -14.279 -71.7671 -28.4682 0.141924 -23.9271 70.1179 TIMING: 2507200 CPU: 7555.73, 0.00299065/step Wall: 7555.73, 0.00299065/step, 2.07086 hours remaining, 209.472656 MB of memory in use. ENERGY: 2507200 767.5915 2098.3120 1925.8138 123.9934 -206225.6600 17648.3539 0.0000 0.0000 34360.0639 -149301.5316 300.0750 -183661.5954 -149202.6848 299.7355 -64.2304 -36.9606 555440.1212 -6.4845 -6.6462 PRESSURE: 2507400 60.2628 144.639 -93.1022 144.639 -79.2106 -29.515 -93.103 -29.516 149.251 GPRESSURE: 2507400 112.934 170.12 -145.949 167.546 -36.0411 75.5144 -58.8411 -59.7555 152.259 PRESSAVG: 2507400 6.72372 -15.6942 -13.5708 -15.6942 -13.836 -23.1876 -13.5708 -23.1875 -23.983 GPRESSAVG: 2507400 7.08228 -16.2897 -12.2977 -15.4559 -13.8147 -20.0204 -13.0072 -24.2167 -24.5676 TIMING: 2507400 CPU: 7556.34, 0.00302399/step Wall: 7556.34, 0.00302399/step, 2.09378 hours remaining, 209.472656 MB of memory in use. ENERGY: 2507400 737.8564 2155.3204 1949.5727 117.0557 -206206.9321 17792.6683 0.0000 0.0000 34221.4795 -149232.9793 298.8647 -183454.4588 -149133.9420 299.2821 43.4345 76.3838 557044.6263 -10.3651 -10.4333 PRESSURE: 2507600 -118.563 -159.784 -70.4462 -159.785 10.6155 -58.4045 -70.4447 -58.4042 -144.628 GPRESSURE: 2507600 -83.0228 -119.241 -56.6075 -104.941 44.9977 -131.893 -84.8033 -73.7759 -122.977 PRESSAVG: 2507600 31.3629 -32.6053 22.7184 -32.6053 78.6372 39.8844 22.7184 39.8843 -20.5851 GPRESSAVG: 2507600 30.374 -31.7656 20.608 -33.0727 79.0691 39.3018 22.4304 38.9548 -19.8244 TIMING: 2507600 CPU: 7556.94, 0.00300272/step Wall: 7556.94, 0.00300272/step, 2.07889 hours remaining, 209.472656 MB of memory in use. ENERGY: 2507600 746.6737 2071.8517 1922.9730 103.5056 -206390.9411 17931.3744 0.0000 0.0000 34375.6678 -149238.8947 300.2113 -183614.5626 -149139.1996 299.5054 -84.1919 -53.6674 558128.1965 29.8050 29.8729 PRESSURE: 2507800 118.856 -110.532 76.6504 -110.533 -0.921873 123.139 76.6521 123.139 87.5329 GPRESSURE: 2507800 176.569 -148.516 54.5144 -14.7898 6.55935 93.684 88.4541 39.4649 111.483 PRESSAVG: 2507800 23.6301 -94.0031 -18.3164 -94.003 -19.544 14.967 -18.3164 14.9671 -28.5588 GPRESSAVG: 2507800 25.2193 -93.686 -16.1129 -93.9427 -20.9692 13.3742 -19.973 15.0412 -28.5224 TIMING: 2507800 CPU: 7557.54, 0.00299181/step Wall: 7557.54, 0.00299181/step, 2.07116 hours remaining, 209.472656 MB of memory in use. ENERGY: 2507800 748.2067 2119.8209 1910.3099 108.2995 -206582.6845 18118.6926 0.0000 0.0000 34277.2320 -149300.1229 299.3516 -183577.3549 -149212.2333 299.6767 68.4892 98.2038 558429.7757 -8.1576 -8.0907 PRESSURE: 2508000 -140.947 -4.23658 5.88511 -4.2364 -404.444 88.74 5.88507 88.7417 -208.272 GPRESSURE: 2508000 -122.957 14.1593 -26.5144 -19.0295 -351.661 166 34.0923 36.8455 -179.85 PRESSAVG: 2508000 34.0121 -19.6326 7.3207 -19.6326 -26.9121 20.834 7.32079 20.8341 0.784839 GPRESSAVG: 2508000 32.6521 -20.8597 6.43657 -18.1588 -25.2177 21.1392 8.0002 22.4183 0.560205 TIMING: 2508000 CPU: 7558.13, 0.00298709/step Wall: 7558.13, 0.00298709/step, 2.06773 hours remaining, 209.472656 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: 2508000 757.2576 2141.2939 1913.1464 102.1023 -205659.6115 17337.7883 0.0000 0.0000 34164.4046 -149243.6184 298.3662 -183408.0230 -149150.9783 299.6297 -251.2210 -218.1562 558804.4249 2.6283 2.6648 PRESSURE: 2508200 -160.84 103.003 73.8229 103.005 -172.927 72.9554 73.8228 72.9558 -70.4104 GPRESSURE: 2508200 -115.582 117.369 99.7713 54.4173 -73.7344 32.1738 5.82267 158.749 -118.764 PRESSAVG: 2508200 -37.0712 -6.42807 -7.85456 -6.42809 72.3702 7.97436 -7.8546 7.97444 -38.702 GPRESSAVG: 2508200 -36.9988 -5.7424 -7.42224 -7.89482 71.8408 8.93126 -9.38421 5.72676 -38.5005 TIMING: 2508200 CPU: 7558.73, 0.00298967/step Wall: 7558.73, 0.00298967/step, 2.06935 hours remaining, 209.472656 MB of memory in use. ENERGY: 2508200 720.0804 2109.1832 1935.7472 101.0564 -206465.1236 17911.8722 0.0000 0.0000 34310.8106 -149376.3737 299.6448 -183687.1843 -149274.1786 298.3359 -134.7257 -102.6932 558888.2619 -1.1344 -1.2195 LDB: ============= START OF LOAD BALANCING ============== 7562.25 LDB: ============== END OF LOAD BALANCING =============== 7562.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7562.25 LDB: ============= START OF LOAD BALANCING ============== 7562.55 LDB: Largest compute 4772 load 0.029914 is 25.3% of average load 0.118099 LDB: Average compute 0.001724 is 1.5% of average load 0.118099 LDB: TIME 7562.55 LOAD: AVG 0.118099 MAX 0.208328 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.941 MB LDB: TIME 7562.55 LOAD: AVG 0.118099 MAX 0.208328 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.148 MB LDB: TIME 7562.55 LOAD: AVG 0.118099 MAX 0.208328 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.148 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7562.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7562.56 PRESSURE: 2508400 -66.7588 6.6356 -169.098 6.63677 -88.8159 -71.3384 -169.099 -71.3382 -100.177 GPRESSURE: 2508400 -75.5388 -13.8813 -233.301 -61.8867 -11.581 -16.3263 -152.476 -79.2299 -78.3842 PRESSAVG: 2508400 14.5695 38.742 4.61211 38.742 9.00435 -9.80339 4.61199 -9.80341 -34.2584 GPRESSAVG: 2508400 13.5752 39.6604 5.41954 38.4939 10.1301 -10.8776 6.16771 -8.19013 -34.6703 TIMING: 2508400 CPU: 7559.34, 0.00305894/step Wall: 7559.34, 0.00305894/step, 2.11713 hours remaining, 211.640625 MB of memory in use. ENERGY: 2508400 748.3137 2119.1086 1915.0223 109.5126 -206256.0204 17765.6126 0.0000 0.0000 34304.7522 -149293.6984 299.5919 -183598.4506 -149194.5081 299.1880 -85.2507 -55.1680 558148.4793 -3.5615 -3.6550 PRESSURE: 2508600 -215.546 -2.39942 -26.2834 -2.3982 172.261 93.8571 -26.2842 93.8589 -364.362 GPRESSURE: 2508600 -177.788 -17.9414 8.09636 -8.92 240.668 75.558 -80.3075 58.6788 -378.007 PRESSAVG: 2508600 42.2731 -6.20449 -28.0121 -6.20443 -11.3162 -8.80264 -28.0122 -8.80255 -31.7168 GPRESSAVG: 2508600 41.7351 -6.65491 -29.6346 -6.16087 -11.2802 -8.16982 -27.5999 -8.95451 -31.2276 TIMING: 2508600 CPU: 7559.94, 0.00299564/step Wall: 7559.94, 0.00299564/step, 2.07315 hours remaining, 211.843750 MB of memory in use. ENERGY: 2508600 788.5263 2070.4275 1945.0550 108.9625 -206108.8939 17737.5838 0.0000 0.0000 34269.7026 -149188.6361 299.2858 -183458.3387 -149088.3682 299.6894 -135.8825 -105.0422 560204.9610 -0.2533 -0.2576 PRESSURE: 2508800 -356.824 38.2307 -3.61493 38.2298 11.9359 32.4316 -3.61595 32.4329 -167.552 GPRESSURE: 2508800 -288.233 47.5756 -35.0517 59.4438 -3.81238 -9.29532 11.6064 -8.10048 -130.557 PRESSAVG: 2508800 18.0902 -52.8845 -25.8884 -52.8845 78.5788 -56.5104 -25.8884 -56.5104 -100.536 GPRESSAVG: 2508800 18.2632 -55.1731 -26.3047 -51.3178 77.7978 -54.9737 -26.407 -56.4732 -100.327 TIMING: 2508800 CPU: 7560.54, 0.00300532/step Wall: 7560.54, 0.00300532/step, 2.07968 hours remaining, 211.843750 MB of memory in use. ENERGY: 2508800 788.0840 2126.8955 1917.7878 116.8821 -206084.5552 17829.9307 0.0000 0.0000 34180.8015 -149124.1736 298.5094 -183304.9751 -149027.5671 298.9097 -170.8135 -140.8677 560531.3377 -1.2888 -1.4220 PRESSURE: 2509000 70.5494 196.057 -66.1123 196.056 -116.347 100.299 -66.1122 100.299 -123.818 GPRESSURE: 2509000 21.87 208.546 -98.9733 73.3852 -63.6835 157.505 -18.5128 -4.32561 -34.5372 PRESSAVG: 2509000 -53.1049 26.4827 -6.59303 26.4827 86.2312 -38.404 -6.593 -38.4041 -37.8722 GPRESSAVG: 2509000 -52.1527 27.3177 -4.12386 25.5461 86.1335 -39.2339 -7.19044 -37.8257 -38.0263 TIMING: 2509000 CPU: 7561.14, 0.00300962/step Wall: 7561.14, 0.00300962/step, 2.08249 hours remaining, 211.843750 MB of memory in use. ENERGY: 2509000 732.4176 2097.2716 1943.8902 117.0887 -206345.8488 17908.7654 0.0000 0.0000 34363.1709 -149183.2443 300.1021 -183546.4152 -149085.5342 299.9479 -56.5384 -25.4502 558307.4968 -1.5820 -1.3485 PRESSURE: 2509200 16.6837 -129.577 50.6226 -129.577 -39.792 -141.971 50.6221 -141.97 -43.7792 GPRESSURE: 2509200 83.0061 -126.506 30.0446 -121.702 49.1838 -173.632 -22.7692 -103.128 -99.5183 PRESSAVG: 2509200 65.2187 45.4694 -41.5613 45.4694 -11.0681 -31.1831 -41.5612 -31.183 -62.7861 GPRESSAVG: 2509200 64.6343 46.4576 -43.7509 44.7329 -10.2783 -31.927 -39.8355 -31.4403 -62.6516 TIMING: 2509200 CPU: 7561.75, 0.00301063/step Wall: 7561.75, 0.00301063/step, 2.08302 hours remaining, 211.843750 MB of memory in use. ENERGY: 2509200 733.3531 2057.3276 1945.2833 110.0657 -206229.8460 17813.3967 0.0000 0.0000 34474.6814 -149095.7382 301.0760 -183570.4196 -148993.3712 299.1617 -22.2959 10.8905 556984.2787 -2.8785 -2.7652 PRESSURE: 2509400 258.861 37.8877 -57.3044 37.8877 41.4735 43.9669 -57.3048 43.9669 208.421 GPRESSURE: 2509400 323.272 91.0506 -38.7667 6.95032 68.2198 40.6685 -56.1367 -6.3105 216.474 PRESSAVG: 2509400 94.7062 3.45853 -10.71 3.45852 -89.7658 0.414996 -10.7101 0.41505 30.1356 GPRESSAVG: 2509400 93.5555 4.2122 -10.3595 3.51797 -89.8677 1.19087 -13.0412 -0.0801609 31.3257 TIMING: 2509400 CPU: 7562.34, 0.0029741/step Wall: 7562.34, 0.0029741/step, 2.05758 hours remaining, 211.843750 MB of memory in use. ENERGY: 2509400 698.1784 2048.7224 1953.6218 114.1360 -206189.3225 17771.0279 0.0000 0.0000 34482.9449 -149120.6911 301.1481 -183603.6359 -149020.1706 299.9747 169.5851 202.6553 555267.6928 11.6920 11.6712 PRESSURE: 2509600 44.8786 -60.057 -70.6409 -60.0563 -56.1668 54.7494 -70.6398 54.7478 -251.609 GPRESSURE: 2509600 62.0684 -75.9521 -28.9666 -1.44351 -40.4734 113.852 -148.486 79.2834 -173.149 PRESSAVG: 2509600 25.0781 48.2389 -11.5161 48.2389 -34.1114 28.9644 -11.5161 28.9644 15.9299 GPRESSAVG: 2509600 25.9271 48.4191 -10.5252 48.9998 -33.992 27.619 -10.7557 31.4058 14.965 TIMING: 2509600 CPU: 7562.94, 0.00301298/step Wall: 7562.94, 0.00301298/step, 2.08431 hours remaining, 211.843750 MB of memory in use. ENERGY: 2509600 766.7359 2084.5933 1936.2640 113.3851 -206061.6367 17657.4925 0.0000 0.0000 34375.8513 -149127.3147 300.2129 -183503.1660 -149037.8698 299.6048 -87.6323 -50.5179 556806.2586 2.2989 2.3000 PRESSURE: 2509800 -7.39154 99.8408 16.5734 99.8419 27.6606 183.642 16.5729 183.64 0.108109 GPRESSURE: 2509800 27.8264 43.4825 30.5876 136.624 86.5553 100.956 41.8802 197.589 13.6408 PRESSAVG: 2509800 -3.53937 -6.95548 -5.37878 -6.95546 -36.4724 15.6218 -5.37877 15.6217 43.3052 GPRESSAVG: 2509800 -2.86419 -8.61135 -6.54179 -6.37642 -37.3802 15.8551 -4.16723 14.1254 43.6912 TIMING: 2509800 CPU: 7563.55, 0.00300443/step Wall: 7563.55, 0.00300443/step, 2.07823 hours remaining, 211.843750 MB of memory in use. ENERGY: 2509800 717.1853 2082.4708 1950.9702 93.7050 -206081.6235 17804.9978 0.0000 0.0000 34267.0765 -149165.2179 299.2629 -183432.2944 -149060.2037 299.6393 6.7924 42.6742 557139.6081 1.0978 1.1489 PRESSURE: 2510000 91.5301 66.6538 -115.951 66.6538 -11.1535 45.5599 -115.951 45.5605 -122.124 GPRESSURE: 2510000 137.052 152.275 -93.5671 45.4839 -45.7973 47.7869 -140.2 34.6413 -40.7973 PRESSAVG: 2510000 -10.8335 26.0663 -3.92645 26.0664 19.8769 12.1657 -3.92651 12.1655 2.91249 GPRESSAVG: 2510000 -10.847 24.664 -4.123 26.4145 19.5523 12.695 -4.18675 11.7945 3.05386 TIMING: 2510000 CPU: 7564.15, 0.00302489/step Wall: 7564.15, 0.00302489/step, 2.09222 hours remaining, 211.843750 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: 2510000 751.0851 2084.9119 1931.7955 114.1007 -206311.2926 17750.8544 0.0000 0.0000 34281.4321 -149397.1128 299.3883 -183678.5449 -149305.4704 299.3421 -13.9159 16.8190 557071.7034 3.9853 3.9197 PRESSURE: 2510200 -78.0221 313.9 27.3544 313.899 -42.1836 -78.7826 27.3544 -78.7823 -10.3415 GPRESSURE: 2510200 20.0562 288.266 -15.1455 284.025 -30.857 -92.2232 -12.4985 -101.023 -26.5411 PRESSAVG: 2510200 -52.4193 45.7853 -18.3908 45.7852 66.7576 11.5553 -18.3908 11.5552 -2.4493 GPRESSAVG: 2510200 -53.5862 47.7649 -17.6305 43.6191 67.5095 11.8231 -20.4613 11.5862 -2.28486 TIMING: 2510200 CPU: 7564.75, 0.00297638/step Wall: 7564.75, 0.00297638/step, 2.0585 hours remaining, 211.843750 MB of memory in use. ENERGY: 2510200 731.8283 2103.1481 1925.3075 119.2053 -205847.0562 17553.3314 0.0000 0.0000 34192.0331 -149222.2027 298.6075 -183414.2358 -149130.2682 299.5234 -43.5158 -12.4473 557534.4235 3.9630 3.8795 PRESSURE: 2510400 -126.061 -107.863 103.422 -107.863 17.6081 -116.417 103.422 -116.418 -10.7818 GPRESSURE: 2510400 -51.3942 -36.6293 123.478 -113.763 51.2271 -140.194 132.414 -88.814 -25.5189 PRESSAVG: 2510400 -54.3675 -16.621 17.7232 -16.6212 0.306608 -22.5629 17.7232 -22.563 15.3364 GPRESSAVG: 2510400 -52.2132 -17.5533 19.1866 -15.098 0.226314 -23.5933 16.5491 -22.9284 12.7853 TIMING: 2510400 CPU: 7565.34, 0.00295931/step Wall: 7565.34, 0.00295931/step, 2.04653 hours remaining, 211.843750 MB of memory in use. ENERGY: 2510400 749.6079 2113.2743 1924.2961 104.9343 -206250.8992 17812.7090 0.0000 0.0000 34335.6497 -149210.4279 299.8618 -183546.0777 -149116.4258 299.2341 -39.7447 -8.5620 558366.7934 -12.9082 -13.0672 PRESSURE: 2510600 36.7871 -15.9358 83.4428 -15.935 -140.015 -180.875 83.4436 -180.876 207.524 GPRESSURE: 2510600 50.1006 -93.6427 144.035 54.8224 -164.142 -156.392 28.709 -280.451 317.045 PRESSAVG: 2510600 -15.1853 15.7162 77.6492 15.7162 -12.07 -30.7405 77.6493 -30.7405 41.9723 GPRESSAVG: 2510600 -15.7643 16.7382 78.3699 17.4952 -13.4102 -29.1034 79.7653 -33.1757 43.6802 TIMING: 2510600 CPU: 7565.93, 0.00295432/step Wall: 7565.93, 0.00295432/step, 2.04291 hours remaining, 211.843750 MB of memory in use. ENERGY: 2510600 749.1951 2095.3870 1932.3876 119.0456 -205991.6671 17765.0664 0.0000 0.0000 34195.5780 -149135.0074 298.6385 -183330.5854 -149044.1383 299.0505 34.7653 67.6681 556329.2204 4.9057 4.8352 PRESSURE: 2510800 127.806 -48.2853 40.9297 -48.2837 -171.279 -148.312 40.9303 -148.311 -182.319 GPRESSURE: 2510800 111.869 -188.709 65.6039 -22.8103 -85.6577 -199.687 41.6084 -121.711 -154.779 PRESSAVG: 2510800 73.9487 10.7114 -21.954 10.7114 -88.1859 -19.4163 -21.9541 -19.4163 -18.7565 GPRESSAVG: 2510800 72.1096 9.81791 -23.5341 9.95953 -87.2423 -18.9602 -22.348 -17.913 -18.3698 TIMING: 2510800 CPU: 7566.52, 0.00297145/step Wall: 7566.52, 0.00297145/step, 2.05459 hours remaining, 211.843750 MB of memory in use. ENERGY: 2510800 705.1181 2130.5942 1924.3633 117.7700 -205883.1655 17595.7362 0.0000 0.0000 34309.1888 -149100.3949 299.6307 -183409.5837 -148999.1381 299.9890 -75.2643 -42.8560 557290.2199 -10.9979 -11.1675 PRESSURE: 2511000 112.28 -11.0727 30.0581 -11.0717 171.333 -46.6815 30.0583 -46.68 50.9851 GPRESSURE: 2511000 137.704 22.0982 4.96716 -61.4128 253.043 -21.4283 -30.8265 -34.1686 36.142 PRESSAVG: 2511000 -7.25433 -11.2822 -13.931 -11.2822 -3.40156 1.73554 -13.9309 1.73541 -80.7032 GPRESSAVG: 2511000 -7.15543 -12.6395 -14.4492 -10.8097 -2.75632 0.697529 -12.4135 3.03647 -82.0932 TIMING: 2511000 CPU: 7567.12, 0.00297871/step Wall: 7567.12, 0.00297871/step, 2.05945 hours remaining, 211.843750 MB of memory in use. ENERGY: 2511000 745.3508 2022.8379 1935.2243 106.6694 -206038.5941 17820.0854 0.0000 0.0000 34262.7175 -149145.7087 299.2248 -183408.4262 -149048.9979 299.4599 111.5327 142.2964 557842.1340 -30.4530 -30.6683 PRESSURE: 2511200 -109.266 119.014 7.00722 119.015 12.5359 -4.19602 7.007 -4.19658 73.4467 GPRESSURE: 2511200 -134.865 109.839 -48.3788 98.356 38.3637 -15.9415 82.8697 75.7461 173.264 PRESSAVG: 2511200 22.8971 -12.2497 1.08792 -12.2497 21.4769 -4.24857 1.08784 -4.24857 15.1687 GPRESSAVG: 2511200 22.4847 -11.9394 1.47272 -10.4598 22.1207 -3.90392 0.547698 -4.40141 15.7355 TIMING: 2511200 CPU: 7567.72, 0.00302398/step Wall: 7567.72, 0.00302398/step, 2.09058 hours remaining, 211.843750 MB of memory in use. ENERGY: 2511200 757.9217 2056.2763 1922.2507 112.5096 -205856.6743 17559.8265 0.0000 0.0000 34419.1607 -149028.7286 300.5911 -183447.8893 -148932.5830 299.9333 -7.7611 25.5876 555564.3038 19.8476 20.1137 PRESSURE: 2511400 -212.933 6.84014 4.77051 6.83938 -126.561 -178.294 4.77064 -178.295 -42.9709 GPRESSURE: 2511400 -129.06 17.9927 1.88908 -36.0141 -141.196 -121.511 24.258 -166.566 -14.0391 PRESSAVG: 2511400 14.4348 -22.6127 -41.3353 -22.6128 -26.9524 -35.1815 -41.3352 -35.1815 -9.34115 GPRESSAVG: 2511400 15.9039 -21.0269 -39.1174 -23.877 -29.3686 -36.1936 -41.9225 -34.5919 -8.48805 TIMING: 2511400 CPU: 7568.33, 0.00303628/step Wall: 7568.33, 0.00303628/step, 2.09891 hours remaining, 211.843750 MB of memory in use. ENERGY: 2511400 733.3984 2117.0513 1936.5522 105.9558 -205464.3819 17415.7409 0.0000 0.0000 34281.8686 -148873.8147 299.3921 -183155.6833 -148770.6642 300.7449 -127.4885 -94.7650 556905.6315 -7.2863 -7.3176 PRESSURE: 2511600 -7.14356 -22.541 -107.587 -22.5399 85.1771 177.254 -107.586 177.254 -239.676 GPRESSURE: 2511600 13.3621 -109.075 -136.521 19.1582 79.5367 147.06 -83.0122 91.7744 -155.33 PRESSAVG: 2511600 -3.4708 -4.57623 -18.9966 -4.5762 -28.2725 -64.1575 -18.9966 -64.1575 -1.99291 GPRESSAVG: 2511600 -3.31946 -4.76385 -19.7585 -5.32321 -27.0799 -65.4177 -19.0902 -64.3713 -2.89572 TIMING: 2511600 CPU: 7568.94, 0.00303042/step Wall: 7568.94, 0.00303042/step, 2.09469 hours remaining, 211.843750 MB of memory in use. ENERGY: 2511600 762.1747 2103.0924 1943.8524 111.5232 -205974.4287 17746.6215 0.0000 0.0000 34508.1108 -148799.0536 301.3679 -183307.1645 -148701.4404 300.3976 -53.8807 -20.8105 556866.6680 -11.2454 -11.0983 PRESSURE: 2511800 -116.411 -29.2247 -58.9689 -29.2245 -79.9768 -85.5652 -58.9695 -85.5646 -258.228 GPRESSURE: 2511800 -115.907 -24.3328 -68.8021 -41.4095 -48.8409 -48.4055 -40.7647 -99.1911 -194.758 PRESSAVG: 2511800 -45.1462 -26.0035 -47.2672 -26.0036 58.6677 5.4326 -47.2672 5.43255 21.7134 GPRESSAVG: 2511800 -46.5976 -25.578 -49.6776 -26.48 58.6475 5.38039 -44.9961 5.9125 22.2127 TIMING: 2511800 CPU: 7569.54, 0.00303139/step Wall: 7569.54, 0.00303139/step, 2.0952 hours remaining, 211.843750 MB of memory in use. ENERGY: 2511800 724.9222 2121.9410 1937.5489 104.2489 -205522.3017 17480.9866 0.0000 0.0000 34239.2825 -148913.3716 299.0202 -183152.6541 -148806.2264 300.7632 -151.5386 -119.8353 559571.9634 11.7450 11.4209 PRESSURE: 2512000 -63.0236 67.9101 211.505 67.9108 -37.7391 -120.544 211.506 -120.545 -377.944 GPRESSURE: 2512000 -33.7708 -8.78313 213.028 71.5928 -85.9237 -47.4966 150.466 -139.86 -276.156 PRESSAVG: 2512000 -50.2209 -17.2766 -17.2782 -17.2767 -0.738982 -48.575 -17.2782 -48.5751 9.47463 GPRESSAVG: 2512000 -48.7251 -16.0846 -14.4936 -15.25 -1.47172 -47.6264 -20.0674 -48.9428 8.61062 TIMING: 2512000 CPU: 7570.15, 0.00303082/step Wall: 7570.15, 0.00303081/step, 2.09463 hours remaining, 211.843750 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: 2512000 785.6937 2119.1394 1918.8880 115.4091 -205488.7784 17377.0903 0.0000 0.0000 34105.8709 -149066.6870 297.8551 -183172.5579 -148974.1966 299.7536 -159.5689 -131.9503 555527.7419 -13.8284 -13.8621 PRESSURE: 2512200 -47.1498 -58.8515 31.9105 -58.8517 -238.546 -3.86586 31.9102 -3.86602 -92.6278 GPRESSURE: 2512200 14.414 -33.2918 81.7303 -73.2824 -220.762 -30.4173 -26.3399 -41.6841 -74.7115 PRESSAVG: 2512200 -43.083 -23.3986 82.1172 -23.3986 36.1851 -19.836 82.1172 -19.836 -31.2413 GPRESSAVG: 2512200 -45.4062 -23.612 80.7346 -24.4461 36.4755 -21.8992 82.5278 -19.3175 -29.8264 TIMING: 2512200 CPU: 7570.75, 0.00301649/step Wall: 7570.75, 0.00301649/step, 2.08456 hours remaining, 211.843750 MB of memory in use. ENERGY: 2512200 766.5124 2088.6988 1940.5269 104.6461 -205497.7774 17443.8461 0.0000 0.0000 34092.1229 -149061.4243 297.7350 -183153.5472 -148972.3149 298.6196 -126.1077 -93.6866 556979.6636 -12.7131 -12.9190 LDB: ============= START OF LOAD BALANCING ============== 7574.27 LDB: ============== END OF LOAD BALANCING =============== 7574.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7574.27 LDB: ============= START OF LOAD BALANCING ============== 7574.57 LDB: Largest compute 4772 load 0.029115 is 24.7% of average load 0.118007 LDB: Average compute 0.001719 is 1.5% of average load 0.118007 LDB: TIME 7574.57 LOAD: AVG 0.118007 MAX 0.209102 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.895 MB LDB: TIME 7574.57 LOAD: AVG 0.118007 MAX 0.209102 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.914 MB LDB: TIME 7574.57 LOAD: AVG 0.118007 MAX 0.209102 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.914 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7574.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7574.58 PRESSURE: 2512400 -163.465 58.0187 -68.0602 58.0204 -39.3264 22.0596 -68.0595 22.0603 27.8006 GPRESSURE: 2512400 -134.67 5.80321 -40.4415 126.814 -40.1835 32.0179 -44.7021 -74.8374 90.6161 PRESSAVG: 2512400 -28.2181 -69.0271 54.8018 -69.027 -11.2787 27.93 54.8018 27.93 36.2157 GPRESSAVG: 2512400 -26.1334 -67.9923 53.3205 -68.1934 -12.0061 26.953 54.7402 27.1153 34.7401 TIMING: 2512400 CPU: 7571.36, 0.00305824/step Wall: 7571.36, 0.00305824/step, 2.11324 hours remaining, 209.589844 MB of memory in use. ENERGY: 2512400 736.6041 2139.2379 1948.6636 106.5875 -206005.5560 17674.4770 0.0000 0.0000 34295.4740 -149104.5120 299.5109 -183399.9859 -149011.4070 299.6911 -58.3302 -28.0793 557091.6739 -1.0937 -1.1332 PRESSURE: 2512600 -254.723 70.2559 46.7322 70.2557 -50.4647 -53.742 46.7309 -53.7412 169.905 GPRESSURE: 2512600 -117.449 63.1228 -13.4849 106.251 -30.258 -83.9149 42.4898 -71.86 121.767 PRESSAVG: 2512600 -1.96625 10.7584 -15.4879 10.7584 -16.8727 17.659 -15.4879 17.6589 -17.7701 GPRESSAVG: 2512600 -3.33271 9.58173 -14.8458 9.03406 -15.6783 20.1432 -15.9104 18.5267 -17.8228 TIMING: 2512600 CPU: 7571.96, 0.00300324/step Wall: 7571.96, 0.00300324/step, 2.07507 hours remaining, 209.660156 MB of memory in use. ENERGY: 2512600 776.2581 2071.7159 1954.8299 100.9650 -205755.5073 17597.2106 0.0000 0.0000 34217.7998 -149036.7279 298.8326 -183254.5278 -148943.1626 300.0654 -45.0943 -8.6469 557285.0249 -12.2030 -12.2779 PRESSURE: 2512800 -83.4207 130.33 144.799 130.329 119.446 105.364 144.798 105.363 -55.9244 GPRESSURE: 2512800 -21.819 182.024 124.396 127.346 147.428 69.4225 181.465 90.6855 -48.1826 PRESSAVG: 2512800 24.193 8.2703 79.466 8.27036 -12.9432 -9.85485 79.4659 -9.85494 -15.9825 GPRESSAVG: 2512800 24.2207 7.98523 80.8531 11.643 -12.9529 -9.14587 79.6366 -11.453 -15.3436 TIMING: 2512800 CPU: 7572.56, 0.00300238/step Wall: 7572.56, 0.00300238/step, 2.07431 hours remaining, 209.660156 MB of memory in use. ENERGY: 2512800 746.6913 2066.4429 1939.7957 112.3467 -205854.3573 17618.7217 0.0000 0.0000 34317.9129 -149052.4461 299.7069 -183370.3591 -148947.8576 299.8117 -6.6329 25.8089 556352.5919 -1.5776 -1.3586 PRESSURE: 2513000 148.265 41.8176 255.336 41.8188 19.2197 48.554 255.337 48.5528 225.22 GPRESSURE: 2513000 107.4 100.459 190.147 -84.5734 116.917 94.3357 285.266 54.404 265.72 PRESSAVG: 2513000 -32.3296 -29.6748 14.1673 -29.6747 52.7094 11.1459 14.1673 11.1459 -36.1987 GPRESSAVG: 2513000 -32.5307 -29.4761 13.3689 -32.0832 51.8037 8.9781 14.9711 12.2023 -34.8849 TIMING: 2513000 CPU: 7573.17, 0.00302382/step Wall: 7573.17, 0.00302382/step, 2.08896 hours remaining, 209.660156 MB of memory in use. ENERGY: 2513000 729.5515 2097.4321 1945.5900 121.1531 -206158.1214 17865.0630 0.0000 0.0000 34355.3326 -149043.9991 300.0337 -183399.3317 -148952.3901 299.4860 130.9017 163.3455 556777.6654 -5.2729 -5.2040 PRESSURE: 2513200 74.82 48.1994 -87.0764 48.1983 -57.9914 20.2623 -87.0763 20.2624 -70.2375 GPRESSURE: 2513200 91.7852 35.6358 -116.978 55.4711 -0.456293 24.644 -43.1059 -52.9765 -32.3216 PRESSAVG: 2513200 33.9942 17.7376 -24.699 17.7376 -29.8374 -14.341 -24.6989 -14.3409 -10.0999 GPRESSAVG: 2513200 34.6091 19.239 -24.2624 17.8 -29.5717 -14.5012 -25.455 -15.0816 -11.3869 TIMING: 2513200 CPU: 7573.77, 0.00301596/step Wall: 7573.77, 0.00301596/step, 2.08336 hours remaining, 209.863281 MB of memory in use. ENERGY: 2513200 758.7410 2034.5777 1945.3905 119.9615 -206164.9766 17748.6719 0.0000 0.0000 34487.0230 -149070.6110 301.1837 -183557.6340 -148973.0548 299.7568 -17.8030 19.6691 556906.1892 -1.9810 -2.1165 PRESSURE: 2513400 -171.425 57.6196 -99.8332 57.6193 -100.612 -126.741 -99.832 -126.743 96.8623 GPRESSURE: 2513400 -167.926 48.9356 -75.8771 108.586 -21.9292 -119.371 -76.8737 -179.81 111.944 PRESSAVG: 2513400 -7.8959 -23.9894 -26.2583 -23.9893 44.9294 -46.4253 -26.2582 -46.4253 4.80382 GPRESSAVG: 2513400 -9.12484 -21.7968 -26.2954 -24.5176 44.6949 -47.487 -27.2587 -44.9269 6.22676 TIMING: 2513400 CPU: 7574.37, 0.0030023/step Wall: 7574.37, 0.0030023/step, 2.07375 hours remaining, 209.863281 MB of memory in use. ENERGY: 2513400 729.7650 2088.4540 1952.2044 102.6993 -206048.5208 17741.7023 0.0000 0.0000 34436.0250 -148997.6709 300.7384 -183433.6959 -148902.2909 299.9499 -58.3914 -25.9702 558593.1588 13.9458 13.9323 PRESSURE: 2513600 17.2391 119.203 -110.467 119.202 185.558 -129.227 -110.467 -129.227 196.607 GPRESSURE: 2513600 75.7164 32.0549 -86.5917 74.5636 204.562 -157.677 -131.048 -83.1104 223.428 PRESSAVG: 2513600 -17.2228 -10.4803 7.46336 -10.4803 -2.52569 -40.7188 7.46338 -40.7187 -24.1859 GPRESSAVG: 2513600 -16.7572 -15.5597 8.33063 -8.82759 -2.83369 -42.8498 7.34574 -39.146 -24.2786 TIMING: 2513600 CPU: 7574.97, 0.00298687/step Wall: 7574.97, 0.00298687/step, 2.06293 hours remaining, 209.863281 MB of memory in use. ENERGY: 2513600 725.1657 2111.5744 1959.5783 111.8264 -206241.2494 17937.6503 0.0000 0.0000 34322.2700 -149073.1844 299.7449 -183395.4544 -148979.6630 300.0851 133.1346 167.9020 556797.5122 -14.6448 -14.6232 PRESSURE: 2513800 -6.1221 16.8658 -51.7893 16.8654 56.2873 -7.81185 -51.7896 -7.80984 14.5069 GPRESSURE: 2513800 20.0537 65.212 -44.7537 -22.2084 70.1973 -34.9614 -10.909 -95.7366 67.0743 PRESSAVG: 2513800 -19.5944 12.8227 -4.56152 12.8227 17.8366 -42.6468 -4.56162 -42.6468 7.75448 GPRESSAVG: 2513800 -19.7592 16.6958 -6.34877 10.305 17.4177 -38.5452 -2.86256 -44.1592 8.19426 TIMING: 2513800 CPU: 7575.57, 0.00300385/step Wall: 7575.57, 0.00300385/step, 2.07449 hours remaining, 209.863281 MB of memory in use. ENERGY: 2513800 740.6105 2071.7127 1922.1349 110.4457 -205907.2009 17778.5353 0.0000 0.0000 34242.5447 -149041.2170 299.0487 -183283.7618 -148935.7876 300.2455 21.5574 52.4418 557676.3091 1.9989 1.9509 PRESSURE: 2514000 -259.887 -158.373 -45.7005 -158.373 -89.3728 117.832 -45.7006 117.833 -247.156 GPRESSURE: 2514000 -271.389 -68.9679 -97.4312 -222.513 -14.7616 19.3874 -151.535 78.0373 -230.022 PRESSAVG: 2514000 -12.1535 1.64815 -36.6498 1.64813 -3.95386 -11.6698 -36.6499 -11.6698 33.376 GPRESSAVG: 2514000 -11.18 0.468563 -36.5452 3.04543 -3.85557 -11.6772 -36.9668 -12.2892 32.5678 TIMING: 2514000 CPU: 7576.17, 0.0029908/step Wall: 7576.17, 0.0029908/step, 2.06531 hours remaining, 209.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2514000 772.6242 2114.8112 1961.1586 106.1364 -206073.4154 17695.6525 0.0000 0.0000 34219.3790 -149203.6535 298.8463 -183423.0325 -149107.1248 299.8061 -198.8050 -172.0577 558883.8070 5.7562 5.8441 PRESSURE: 2514200 -132.965 12.284 -27.9505 12.2839 49.4495 -1.2799 -27.9496 -1.28024 -270.958 GPRESSURE: 2514200 -125.101 -19.7124 -6.69477 -31.2947 61.094 -32.5214 -42.8813 14.6201 -194.411 PRESSAVG: 2514200 -73.2718 -26.4423 9.27441 -26.4423 37.3765 -6.19703 9.27445 -6.19709 30.6162 GPRESSAVG: 2514200 -74.4094 -25.3667 10.1189 -25.6932 38.3846 -7.39796 10.2821 -5.14285 30.5042 TIMING: 2514200 CPU: 7576.77, 0.00301079/step Wall: 7576.77, 0.00301079/step, 2.07895 hours remaining, 209.863281 MB of memory in use. ENERGY: 2514200 742.1950 2050.1638 1941.2699 117.4859 -205910.9434 17548.3571 0.0000 0.0000 34353.4520 -149158.0196 300.0172 -183511.4716 -149060.7234 298.8953 -118.1578 -86.1396 558971.4482 -1.7597 -1.8402 PRESSURE: 2514400 -149.339 -2.30513 39.6369 -2.3061 -212.876 -2.85566 39.6362 -2.8554 -128.423 GPRESSURE: 2514400 -107.467 -37.1109 70.9581 13.7156 -228.044 53.1007 -48.0285 91.821 -61.8943 PRESSAVG: 2514400 -74.8402 11.6671 -3.34409 11.6671 82.5228 -1.54749 -3.34397 -1.54752 -23.2138 GPRESSAVG: 2514400 -74.9504 10.6851 -3.09707 10.3838 82.9926 -0.901734 -3.92223 -3.58757 -23.8344 TIMING: 2514400 CPU: 7577.37, 0.00299464/step Wall: 7577.37, 0.00299464/step, 2.06763 hours remaining, 209.863281 MB of memory in use. ENERGY: 2514400 800.3712 2125.7603 1922.4781 103.0526 -206150.7440 17654.1943 0.0000 0.0000 34348.8055 -149196.0819 299.9767 -183544.8875 -149100.2773 299.2139 -163.5459 -132.4686 558035.0324 -5.1771 -5.2641 PRESSURE: 2514600 37.0234 140.358 -129.528 140.356 -349.975 -80.1006 -129.527 -80.1018 -186.983 GPRESSURE: 2514600 2.56712 81.9315 -54.0089 149.735 -286.562 -117.677 -134.055 42.5654 -114.818 PRESSAVG: 2514600 -117.682 65.8718 -31.5901 65.8717 41.3876 -7.53582 -31.5902 -7.53576 -5.68383 GPRESSAVG: 2514600 -118.549 67.5051 -31.4814 64.5819 41.4394 -7.86237 -31.7029 -6.40911 -4.93348 TIMING: 2514600 CPU: 7577.97, 0.00301604/step Wall: 7577.97, 0.00301604/step, 2.08224 hours remaining, 209.863281 MB of memory in use. ENERGY: 2514600 773.3415 2134.7262 1921.9785 130.1951 -206172.9299 17713.0012 0.0000 0.0000 34450.0767 -149049.6107 300.8611 -183499.6874 -148952.9774 300.3241 -166.6447 -132.9377 558226.0982 -27.3259 -27.3476 PRESSURE: 2514800 -420.726 63.73 -10.4754 63.7285 -29.5026 -19.674 -10.4741 -19.6736 -248.82 GPRESSURE: 2514800 -399.236 -17.1934 74.1497 93.3805 37.5366 -51.0001 18.43 9.09888 -239.59 PRESSAVG: 2514800 -88.126 96.1408 7.1253 96.1408 50.1552 -18.5443 7.12533 -18.5443 35.5056 GPRESSAVG: 2514800 -87.2054 96.0833 9.79675 97.7956 49.2692 -19.919 4.3747 -18.065 35.4019 TIMING: 2514800 CPU: 7578.57, 0.00300489/step Wall: 7578.57, 0.00300489/step, 2.07438 hours remaining, 209.863281 MB of memory in use. ENERGY: 2514800 744.7978 2090.4843 1941.4717 112.6342 -205512.0952 17442.6430 0.0000 0.0000 34328.2176 -148851.8465 299.7969 -183180.0642 -148759.1587 300.3271 -233.0161 -200.4298 556859.8749 -0.8217 -0.8448 PRESSURE: 2515000 -109.256 18.6083 11.1572 18.6084 162.66 7.40127 11.1574 7.40187 -31.4829 GPRESSURE: 2515000 -72.6328 10.6594 13.3267 42.7366 196.945 63.2183 -29.7288 -46.2375 -18.8946 PRESSAVG: 2515000 -39.2284 -14.5718 -20.2112 -14.5718 3.14988 4.63154 -20.2113 4.63161 40.4805 GPRESSAVG: 2515000 -38.4829 -15.4774 -23.161 -13.6264 3.75007 4.39871 -18.3881 6.17373 38.4372 TIMING: 2515000 CPU: 7579.17, 0.00299443/step Wall: 7579.17, 0.00299443/step, 2.06699 hours remaining, 209.863281 MB of memory in use. ENERGY: 2515000 773.2474 2142.3804 1937.2446 114.3042 -205979.1417 17857.5044 0.0000 0.0000 34359.6652 -148794.7954 300.0715 -183154.4606 -148701.0601 300.4727 7.3070 35.1391 557992.8181 1.4673 1.2348 PRESSURE: 2515200 57.6216 -48.9557 14.3094 -48.9564 -104.898 -33.1538 14.3103 -33.1534 191.35 GPRESSURE: 2515200 98.9358 -11.0087 36.0368 1.44942 -79.4551 -65.0622 -102.635 -33.6079 222.15 PRESSAVG: 2515200 -57.7392 0.0407362 -21.0439 0.0406495 3.60579 14.2427 -21.0439 14.2427 53.3694 GPRESSAVG: 2515200 -58.2103 0.170819 -20.8797 0.0209591 3.12536 15.2301 -21.1929 11.9723 54.8108 TIMING: 2515200 CPU: 7579.78, 0.0030169/step Wall: 7579.78, 0.0030169/step, 2.08233 hours remaining, 209.863281 MB of memory in use. ENERGY: 2515200 769.0107 2139.0060 1959.3751 112.4318 -205816.7441 17735.1201 0.0000 0.0000 34287.8005 -148813.9999 299.4439 -183101.8005 -148719.8264 300.1150 48.0245 80.5436 557910.0900 -0.2547 -0.0914 PRESSURE: 2515400 -276.511 68.9034 1.90448 68.9027 -139.065 64.7444 1.90327 64.7458 -234.974 GPRESSURE: 2515400 -232.098 108.235 -51.9811 136.893 -168.531 -28.9997 -38.6032 143.73 -156.169 PRESSAVG: 2515400 4.55356 41.8455 -39.4332 41.8455 45.9123 -21.1889 -39.4333 -21.189 -28.7258 GPRESSAVG: 2515400 3.30015 43.5401 -41.9593 42.0555 46.532 -21.6642 -36.7264 -21.5861 -28.9781 TIMING: 2515400 CPU: 7580.37, 0.00298327/step Wall: 7580.37, 0.00298327/step, 2.05895 hours remaining, 209.863281 MB of memory in use. ENERGY: 2515400 736.8501 2144.2898 1959.8792 105.8006 -205496.4992 17405.9301 0.0000 0.0000 34181.0500 -148962.6994 298.5116 -183143.7494 -148863.5762 299.8971 -216.8500 -185.5992 557919.7878 7.2467 6.9514 PRESSURE: 2515600 -237.034 18.706 -2.41324 18.706 -202.647 115.849 -2.41395 115.849 104.946 GPRESSURE: 2515600 -211.92 20.2299 8.14445 45.8214 -136.339 -6.19469 39.6223 65.5972 119.651 PRESSAVG: 2515600 16.4822 27.6205 -26.9995 27.6204 28.8917 8.14843 -26.9995 8.14838 -34.2526 GPRESSAVG: 2515600 18.1587 27.4025 -25.634 26.592 28.717 7.22938 -29.4352 7.23716 -35.3272 TIMING: 2515600 CPU: 7580.97, 0.00297986/step Wall: 7580.97, 0.00297986/step, 2.05644 hours remaining, 209.863281 MB of memory in use. ENERGY: 2515600 754.7966 2151.3513 1958.7889 112.5979 -205754.0390 17663.2209 0.0000 0.0000 34115.7559 -148997.5275 297.9414 -183113.2834 -148900.2226 300.4847 -111.5783 -76.2028 560442.9309 3.7071 3.8495 PRESSURE: 2515800 115.891 -78.8836 -213.387 -78.8833 28.031 14.4986 -213.387 14.4988 78.9136 GPRESSURE: 2515800 147.735 -5.46745 -224.9 -64.6799 31 65.3293 -121.127 1.70143 132.852 PRESSAVG: 2515800 70.6286 -55.2733 -8.14336 -55.2733 -36.0009 15.8486 -8.14339 15.8486 -29.6916 GPRESSAVG: 2515800 70.055 -55.7621 -9.66031 -54.3864 -36.5452 16.3311 -5.69117 18.388 -28.4027 TIMING: 2515800 CPU: 7581.57, 0.00299715/step Wall: 7581.57, 0.00299715/step, 2.0682 hours remaining, 209.863281 MB of memory in use. ENERGY: 2515800 785.4940 2170.0751 1946.5384 123.4655 -206149.9325 17934.3060 0.0000 0.0000 34172.9619 -149017.0916 298.4410 -183190.0535 -148923.1938 299.8693 74.2787 103.8624 557694.0155 1.6454 1.7024 PRESSURE: 2516000 26.0709 -35.5347 122.774 -35.5339 -407.67 68.1453 122.774 68.1465 -158.584 GPRESSURE: 2516000 2.26821 -64.4562 101.559 -31.5197 -358.813 127.819 103.55 2.33721 -79.2512 PRESSAVG: 2516000 55.2728 48.0167 26.7086 48.0166 -49.5895 -2.18462 26.7086 -2.18476 -68.4674 GPRESSAVG: 2516000 54.5748 47.7227 28.4241 48.859 -49.0522 1.17438 25.9474 -5.35734 -68.6233 TIMING: 2516000 CPU: 7582.17, 0.00299396/step Wall: 7582.17, 0.00299396/step, 2.06583 hours remaining, 209.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2516000 756.3063 2112.3261 1971.7004 111.7918 -205701.1900 17704.6849 0.0000 0.0000 34020.7099 -149023.6707 297.1113 -183044.3806 -148928.0746 299.8083 -180.0610 -145.2653 560369.1653 -20.9280 -21.0336 PRESSURE: 2516200 8.04478 -85.6577 216.52 -85.6569 -18.1257 -19.9046 216.52 -19.9038 -57.6954 GPRESSURE: 2516200 58.3629 -179.325 170.651 -70.1195 -34.4639 47.3537 241.019 -13.0818 2.40351 PRESSAVG: 2516200 32.0808 10.5822 32.6194 10.5822 -53.3029 28.1011 32.6194 28.101 10.4282 GPRESSAVG: 2516200 32.2145 9.43663 33.5654 10.5694 -54.0411 26.516 31.281 28.796 10.1582 TIMING: 2516200 CPU: 7582.77, 0.00299778/step Wall: 7582.77, 0.00299778/step, 2.0683 hours remaining, 209.863281 MB of memory in use. ENERGY: 2516200 722.0954 2097.1363 1939.9236 105.9447 -205948.6471 17703.4109 0.0000 0.0000 34153.8483 -149226.2881 298.2741 -183380.1363 -149131.4426 299.5912 -22.5921 8.7675 558332.5341 -3.5980 -3.8895 LDB: ============= START OF LOAD BALANCING ============== 7586.29 LDB: ============== END OF LOAD BALANCING =============== 7586.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7586.29 LDB: ============= START OF LOAD BALANCING ============== 7586.59 LDB: Largest compute 4772 load 0.031815 is 27.0% of average load 0.117968 LDB: Average compute 0.001726 is 1.5% of average load 0.117968 LDB: TIME 7586.59 LOAD: AVG 0.117968 MAX 0.208406 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.059 MB LDB: TIME 7586.59 LOAD: AVG 0.117968 MAX 0.208406 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.059 MB LDB: TIME 7586.59 LOAD: AVG 0.117968 MAX 0.208406 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.059 MB LDB: ============== END OF LOAD BALANCING =============== 7586.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7586.59 PRESSURE: 2516400 5.03924 140.62 69.8388 140.62 -135.021 171.047 69.8385 171.047 35.8736 GPRESSURE: 2516400 64.5152 100.444 110.362 144.949 -118.745 127.151 87.4036 145.355 59.8013 PRESSAVG: 2516400 36.2444 29.4725 -57.2742 29.4725 2.09649 -2.27498 -57.2742 -2.27497 -45.6097 GPRESSAVG: 2516400 37.9759 29.7528 -58.9139 28.7613 1.31825 -4.45932 -56.6849 1.06064 -46.0535 TIMING: 2516400 CPU: 7583.38, 0.00305297/step Wall: 7583.38, 0.00305297/step, 2.10621 hours remaining, 210.144531 MB of memory in use. ENERGY: 2516400 780.1217 2082.0867 1956.7428 101.9553 -206701.0093 17905.3907 0.0000 0.0000 34500.7285 -149373.9836 301.3034 -183874.7121 -149271.0297 299.0539 -31.3693 1.8573 557884.3788 -2.4229 -2.2531 PRESSURE: 2516600 -169.355 -149.292 64.572 -149.292 -308.083 112.861 64.571 112.859 -261.669 GPRESSURE: 2516600 -70.6132 -57.5897 15.6732 -176.348 -293.423 70.3798 74.0196 64.2613 -270.602 PRESSAVG: 2516600 63.0097 -6.28591 -24.4425 -6.28591 20.4164 57.3387 -24.4426 57.3389 -11.694 GPRESSAVG: 2516600 62.9759 -6.14243 -23.9763 -5.97597 20.8868 59.5838 -25.1333 53.5562 -12.153 TIMING: 2516600 CPU: 7583.98, 0.00302961/step Wall: 7583.98, 0.00302961/step, 2.08993 hours remaining, 210.347656 MB of memory in use. ENERGY: 2516600 726.8813 2087.6679 1935.5661 103.7890 -206180.9971 17485.6293 0.0000 0.0000 34304.6312 -149536.8323 299.5909 -183841.4635 -149434.0460 298.5898 -246.3691 -211.5460 558425.5516 23.9107 23.9032 PRESSURE: 2516800 -307.926 81.1485 152.963 81.1482 13.702 -102.15 152.962 -102.15 164.583 GPRESSURE: 2516800 -249.44 106.248 162.763 53.7688 14.8312 -119.511 126.024 -142.041 203.285 PRESSAVG: 2516800 12.9729 19.1091 10.8107 19.1092 -7.41445 43.5757 10.8106 43.5756 54.7857 GPRESSAVG: 2516800 11.9492 18.8214 10.7325 17.8254 -6.95685 43.1722 12.2617 44.1992 55.2353 TIMING: 2516800 CPU: 7584.58, 0.0029994/step Wall: 7584.58, 0.0029994/step, 2.06892 hours remaining, 210.347656 MB of memory in use. ENERGY: 2516800 741.2461 2135.2488 1948.6893 108.1916 -206471.1224 17946.6159 0.0000 0.0000 34102.3883 -149488.7426 297.8246 -183591.1308 -149390.5726 298.8282 -43.2139 -10.4413 557578.1404 20.1147 20.0759 PRESSURE: 2517000 -143.921 -16.2246 31.9109 -16.2253 8.35384 9.76783 31.9106 9.76803 -2.72391 GPRESSURE: 2517000 -106.534 15.0502 45.5353 73.1236 27.587 -60.3264 16.1834 -16.5059 42.3931 PRESSAVG: 2517000 11.1096 -59.4854 21.542 -59.4853 -11.3428 30.3545 21.5421 30.3545 -20.894 GPRESSAVG: 2517000 12.176 -58.3769 21.4505 -60.2477 -11.5933 29.3904 21.7079 29.6514 -20.7597 TIMING: 2517000 CPU: 7585.18, 0.0029953/step Wall: 7585.18, 0.0029953/step, 2.06592 hours remaining, 210.347656 MB of memory in use. ENERGY: 2517000 767.8441 2175.2179 1936.3819 107.9116 -206869.7850 17908.8797 0.0000 0.0000 34514.0055 -149459.5442 301.4194 -183973.5497 -149354.9039 299.1348 -46.0971 -12.1846 556904.7440 -7.0424 -6.7257 PRESSURE: 2517200 -78.358 -133.133 108.428 -133.132 -7.48938 7.9554 108.428 7.95533 -85.9554 GPRESSURE: 2517200 -65.551 -92.0241 121.865 -97.2495 34.4119 -14.2153 159.989 79.7526 -27.1566 PRESSAVG: 2517200 61.3619 -41.5815 -27.0035 -41.5815 -10.2986 -0.858212 -27.0035 -0.858183 -40.5901 GPRESSAVG: 2517200 60.8378 -40.7713 -25.6796 -43.0236 -9.92537 -0.0479794 -28.318 0.0086696 -40.2846 TIMING: 2517200 CPU: 7585.78, 0.00299964/step Wall: 7585.78, 0.00299964/step, 2.06875 hours remaining, 210.347656 MB of memory in use. ENERGY: 2517200 755.0337 2071.9841 1946.4988 108.9083 -206160.0388 17615.9697 0.0000 0.0000 34143.3995 -149518.2448 298.1828 -183661.6443 -149411.3947 298.1534 -57.2676 -19.4319 557622.7694 3.4911 3.5426 PRESSURE: 2517400 -160.068 61.4057 -1.43923 61.406 -323.937 -151.05 -1.43754 -151.05 -89.6389 GPRESSURE: 2517400 -141.166 -3.42953 38.4295 49.3376 -263.706 -64.756 -103.963 -66.1433 -71.5119 PRESSAVG: 2517400 53.2522 -5.08065 39.548 -5.08069 -21.6554 6.58217 39.5479 6.58213 -67.2697 GPRESSAVG: 2517400 54.3072 -8.6738 38.4514 -1.18018 -24.0077 4.56768 38.9703 8.37815 -66.104 TIMING: 2517400 CPU: 7586.38, 0.00299432/step Wall: 7586.38, 0.00299432/step, 2.06492 hours remaining, 210.347656 MB of memory in use. ENERGY: 2517400 759.2283 2113.8951 1960.5199 111.1054 -206224.7599 17728.8363 0.0000 0.0000 34067.7508 -149483.4242 297.5221 -183551.1749 -149386.6036 297.8559 -191.2145 -158.7944 557744.6189 -11.8909 -11.9349 PRESSURE: 2517600 -19.414 -100.706 95.5233 -100.706 85.2288 40.1559 95.5234 40.1557 -195.081 GPRESSURE: 2517600 -0.573305 -140.456 90.8086 -79.7557 110.679 61.5379 51.5885 62.948 -143.145 PRESSAVG: 2517600 80.1175 -33.6439 10.5367 -33.6439 -9.21777 -1.09187 10.5366 -1.09189 -50.0318 GPRESSAVG: 2517600 78.5633 -33.2552 11.3387 -36.4845 -7.90192 -0.724452 10.7941 -0.576948 -50.2964 TIMING: 2517600 CPU: 7586.98, 0.00297649/step Wall: 7586.98, 0.00297649/step, 2.05246 hours remaining, 210.476562 MB of memory in use. ENERGY: 2517600 735.2608 2051.8140 1931.8702 108.8435 -206381.4941 17818.7968 0.0000 0.0000 34280.6381 -149454.2707 299.3813 -183734.9088 -149363.9437 298.4646 -43.0887 -11.0131 557687.6355 6.9560 6.7884 PRESSURE: 2517800 -18.6807 -65.997 72.9965 -65.9963 262.69 59.3745 72.9974 59.3747 -111.262 GPRESSURE: 2517800 -14.0169 -36.3097 -46.6218 -20.1481 342.156 -31.3783 107.408 58.3173 -106.014 PRESSAVG: 2517800 46.982 54.4516 -25.3644 54.4517 48.6718 -39.3963 -25.3643 -39.3963 -95.9896 GPRESSAVG: 2517800 48.1717 55.1563 -24.9737 54.9079 47.4594 -39.3754 -24.5119 -43.8591 -95.7143 TIMING: 2517800 CPU: 7587.57, 0.00297742/step Wall: 7587.57, 0.00297742/step, 2.05293 hours remaining, 210.476562 MB of memory in use. ENERGY: 2517800 721.2687 2135.6366 1926.7782 108.9188 -206526.3570 17937.5681 0.0000 0.0000 34197.5740 -149498.6125 298.6559 -183696.1865 -149405.6546 299.2174 44.2490 74.0418 557674.7008 -0.1119 -0.0278 PRESSURE: 2518000 -272.45 -143.002 -37.039 -143.003 -107.352 -19.2363 -37.0394 -19.2359 -145.544 GPRESSURE: 2518000 -272.845 -237.443 -37.9524 -57.152 -68.1097 -52.6813 -35.0514 8.60362 -108.395 PRESSAVG: 2518000 60.3346 -33.9665 -12.1887 -33.9665 17.6747 71.0569 -12.1887 71.0569 -77.0656 GPRESSAVG: 2518000 59.2202 -32.9753 -11.4511 -33.5704 18.856 72.0521 -12.4182 71.347 -76.6298 TIMING: 2518000 CPU: 7588.17, 0.00297853/step Wall: 7588.17, 0.00297853/step, 2.05353 hours remaining, 210.476562 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: 2518000 765.0926 2120.0818 1930.7416 123.3776 -206339.8009 17597.9943 0.0000 0.0000 34492.9835 -149309.5295 301.2358 -183802.5130 -149211.8670 299.1155 -175.1156 -149.7832 557695.8082 0.3146 0.4821 PRESSURE: 2518200 217.319 73.4364 -47.03 73.4381 129.25 118.082 -47.0321 118.083 -74.3658 GPRESSURE: 2518200 282.164 80.4778 -32.7128 99.1317 97.6792 128.417 -68.8628 49.9693 -14.3127 PRESSAVG: 2518200 48.6196 -35.8767 5.09446 -35.8766 -47.0314 18.2485 5.09447 18.2485 -26.6487 GPRESSAVG: 2518200 48.5395 -35.2196 2.83228 -36.6175 -45.9828 19.4893 6.2539 19.5153 -27.0458 TIMING: 2518200 CPU: 7588.77, 0.00302294/step Wall: 7588.77, 0.00302294/step, 2.08398 hours remaining, 210.476562 MB of memory in use. ENERGY: 2518200 693.8134 2109.1466 1929.0934 126.4518 -206162.9744 17776.9277 0.0000 0.0000 34295.8845 -149231.6570 299.5145 -183527.5415 -149138.8020 298.9361 90.7345 121.8436 557043.4343 -8.3535 -8.1630 PRESSURE: 2518400 -518.563 -100.527 13.7421 -100.527 -73.9158 8.68431 13.7428 8.68368 -202.058 GPRESSURE: 2518400 -465.775 -135.524 -8.44734 -87.2539 -63.0462 -7.3821 42.7165 -49.337 -167.402 PRESSAVG: 2518400 0.589647 -2.69385 2.79957 -2.69384 41.9547 10.7578 2.79966 10.7578 -69.6149 GPRESSAVG: 2518400 1.56504 -2.94371 4.60719 -2.25084 41.5026 9.40953 -0.0602508 10.0123 -69.6479 TIMING: 2518400 CPU: 7589.37, 0.00300297/step Wall: 7589.37, 0.00300297/step, 2.07005 hours remaining, 210.476562 MB of memory in use. ENERGY: 2518400 780.7382 2108.7157 1944.7730 107.7032 -205898.6127 17553.6133 0.0000 0.0000 34426.8561 -148976.2131 300.6583 -183403.0693 -148879.5649 299.9287 -264.8458 -232.0743 559173.9182 -9.0235 -8.8601 PRESSURE: 2518600 198.147 28.6599 -67.1111 28.6612 195.104 -1.62483 -67.1107 -1.62465 -145.573 GPRESSURE: 2518600 236.915 -12.0291 -60.6643 33.198 234.039 17.2066 -116.771 -60.0149 -119.399 PRESSAVG: 2518600 32.2282 4.41453 31.6656 4.41457 78.2161 6.89535 31.6657 6.89536 -87.7702 GPRESSAVG: 2518600 30.9464 2.15294 30.1876 5.69241 78.7859 5.55927 32.4616 7.6601 -86.9985 TIMING: 2518600 CPU: 7589.97, 0.00297717/step Wall: 7589.97, 0.00297717/step, 2.0521 hours remaining, 210.476562 MB of memory in use. ENERGY: 2518600 728.6449 2105.0251 1920.7747 105.1697 -205865.8457 17879.9298 0.0000 0.0000 34347.7349 -148778.5665 299.9673 -183126.3014 -148688.0946 299.5508 82.5593 117.1849 558296.9768 7.5580 7.5779 PRESSURE: 2518800 -47.9713 -100.59 -31.9242 -100.59 -176.737 -18.8429 -31.9239 -18.8438 -175.984 GPRESSURE: 2518800 -40.7489 -95.7639 -46.8804 -105.963 -111.099 5.21169 -71.5737 -40.4533 -145.219 PRESSAVG: 2518800 48.3045 -7.49041 -36.4519 -7.49037 -27.9678 -42.0209 -36.4519 -42.021 0.174231 GPRESSAVG: 2518800 48.1389 -6.86212 -35.2342 -9.1423 -27.6257 -40.8573 -35.3531 -41.4643 -0.619222 TIMING: 2518800 CPU: 7590.56, 0.00294984/step Wall: 7590.56, 0.00294984/step, 2.03309 hours remaining, 210.476562 MB of memory in use. ENERGY: 2518800 732.2226 2052.1757 1931.2998 110.0992 -205405.8210 17474.7772 0.0000 0.0000 34335.8916 -148769.3550 299.8639 -183105.2466 -148671.7695 300.4412 -133.5642 -99.0222 558003.8953 6.8370 6.6313 PRESSURE: 2519000 -204.762 -261.473 22.8219 -261.472 -13.1882 82.0006 22.821 82.0007 185.885 GPRESSURE: 2519000 -109.964 -297.063 111.601 -302.054 46.998 72.8158 20.9456 -4.60862 138.371 PRESSAVG: 2519000 -2.32994 -29.4785 6.52271 -29.4785 56.5196 -8.99557 6.52278 -8.99553 -27.0737 GPRESSAVG: 2519000 -1.3684 -27.5177 5.09468 -30.4662 55.649 -10.8942 7.36789 -9.62801 -26.9924 TIMING: 2519000 CPU: 7591.16, 0.00298933/step Wall: 7591.16, 0.00298933/step, 2.06015 hours remaining, 210.476562 MB of memory in use. ENERGY: 2519000 748.5909 2083.5836 1944.7334 105.9946 -205800.7007 17610.1972 0.0000 0.0000 34443.2427 -148864.3583 300.8014 -183307.6009 -148764.7077 299.9915 -10.6884 25.1349 557984.8443 9.0387 9.0961 PRESSURE: 2519200 -242.398 159.523 -190.24 159.525 9.27881 -191.187 -190.24 -191.187 -58.6825 GPRESSURE: 2519200 -201.579 133.305 -177.342 129.311 69.1872 -119.701 -214.755 -191.855 -65.6786 PRESSAVG: 2519200 0.223349 -11.5462 -30.1809 -11.5463 -25.3631 -58.3081 -30.181 -58.308 -17.7677 GPRESSAVG: 2519200 -0.839133 -12.6388 -29.7347 -10.2266 -24.1304 -55.9509 -30.7556 -59.5472 -17.8121 TIMING: 2519200 CPU: 7591.76, 0.00300405/step Wall: 7591.76, 0.00300405/step, 2.07013 hours remaining, 210.476562 MB of memory in use. ENERGY: 2519200 755.7355 2019.5497 1933.0846 113.0606 -205507.1347 17503.6352 0.0000 0.0000 34324.2917 -148857.7774 299.7626 -183182.0692 -148759.0547 300.0344 -97.2671 -66.0234 558683.1189 -14.3025 -14.2606 PRESSURE: 2519400 356.894 -25.1167 11.7195 -25.118 82.242 -173.278 11.7192 -173.277 -81.1057 GPRESSURE: 2519400 365.378 25.2798 65.6456 -58.3724 154.055 -86.9315 -29.073 -274.539 -60.9317 PRESSAVG: 2519400 38.8299 47.9117 -35.9887 47.9117 -12.3429 -65.2581 -35.9886 -65.2582 -66.4468 GPRESSAVG: 2519400 39.9896 48.7378 -35.0544 47.3078 -14.0039 -67.6286 -35.4714 -64.9387 -65.6169 TIMING: 2519400 CPU: 7592.36, 0.00302377/step Wall: 7592.36, 0.00302377/step, 2.08355 hours remaining, 210.476562 MB of memory in use. ENERGY: 2519400 757.4102 2073.1191 1929.5271 116.5558 -206063.0743 17926.9534 0.0000 0.0000 34506.6978 -148752.8108 301.3556 -183259.5086 -148665.0745 300.2804 119.3435 152.8337 556819.4560 -13.3199 -13.2104 PRESSURE: 2519600 50.7936 29.874 -161.547 29.8737 -162.392 109.058 -161.548 109.058 -139.184 GPRESSURE: 2519600 86.7327 29.8667 -142.845 40.3844 -127.006 13.2977 -110.854 148.851 -107.91 PRESSAVG: 2519600 40.1504 54.2801 -33.7706 54.2802 32.4222 -38.2002 -33.7707 -38.2003 -76.5018 GPRESSAVG: 2519600 39.8585 53.1051 -35.2179 55.3506 33.3055 -37.391 -32.7784 -37.742 -77.1441 TIMING: 2519600 CPU: 7592.96, 0.00297913/step Wall: 7592.96, 0.00297913/step, 2.05262 hours remaining, 210.476562 MB of memory in use. ENERGY: 2519600 720.8778 2094.3776 1911.9809 110.1865 -205739.2839 17655.7148 0.0000 0.0000 34438.0765 -148808.0698 300.7563 -183246.1463 -148715.8712 300.4486 -83.5940 -49.3945 557078.8056 -1.3098 -1.3267 PRESSURE: 2519800 -428.156 -106.471 -12.8378 -106.47 -443.015 18.7008 -12.8392 18.6991 -40.261 GPRESSURE: 2519800 -400.835 -159.825 -46.4875 -171.627 -410.368 23.189 -16.9328 79.8895 -3.1156 PRESSAVG: 2519800 -81.3046 -14.3299 -31.5549 -14.3299 41.9286 4.10377 -31.5549 4.10374 -10.4898 GPRESSAVG: 2519800 -82.2424 -13.7174 -30.8079 -15.7458 41.9609 4.51349 -33.8978 5.73749 -9.60446 TIMING: 2519800 CPU: 7593.55, 0.00296423/step Wall: 7593.55, 0.00296423/step, 2.04219 hours remaining, 210.476562 MB of memory in use. ENERGY: 2519800 783.0885 2064.0623 1962.8135 95.7263 -205678.1163 17517.9567 0.0000 0.0000 34340.5740 -148913.8951 299.9048 -183254.4690 -148815.9307 300.3600 -303.8109 -271.4395 559374.3873 -16.6219 -16.6286 PRESSURE: 2520000 -24.7937 107.783 -52.2521 107.783 27.7588 -74.0054 -52.2526 -74.0049 131.687 GPRESSURE: 2520000 22.5859 137.699 -45.6304 67.539 143.746 -120.191 -14.7018 -20.6837 73.1908 PRESSAVG: 2520000 -63.1946 -37.479 -49.7664 -37.479 -30.3728 -13.1573 -49.7664 -13.1572 50.7846 GPRESSAVG: 2520000 -63.2343 -36.7129 -50.1797 -36.8669 -29.2003 -11.3152 -47.9351 -15.1673 49.7847 TIMING: 2520000 CPU: 7594.14, 0.00295549/step Wall: 7594.14, 0.00295549/step, 2.03601 hours remaining, 210.476562 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: 2520000 771.5285 2079.4685 1950.3003 123.5336 -206156.3734 18020.0662 0.0000 0.0000 34216.5942 -148994.8820 298.8220 -183211.4762 -148902.2664 298.3804 44.8839 79.8409 558087.2869 -14.2609 -14.2166 PRESSURE: 2520200 -89.1602 -3.12942 -71.0924 -3.12965 106.276 -8.11595 -71.0915 -8.117 -110.38 GPRESSURE: 2520200 30.2195 -64.415 -75.5087 7.45733 98.2855 27.0599 -71.1857 41.57 -119.293 PRESSAVG: 2520200 24.4528 -35.5979 11.4907 -35.5979 -0.496579 3.83501 11.4906 3.83487 -6.50737 GPRESSAVG: 2520200 24.8508 -34.9968 12.3319 -35.0882 -1.79127 2.81321 10.9923 4.88668 -5.46359 TIMING: 2520200 CPU: 7594.74, 0.00297043/step Wall: 7594.74, 0.00297043/step, 2.04613 hours remaining, 210.476562 MB of memory in use. ENERGY: 2520200 736.0568 2038.8145 1947.2394 114.5028 -205766.0705 17602.5963 0.0000 0.0000 34048.1727 -149278.6880 297.3512 -183326.8607 -149186.9880 298.7985 -31.0879 3.0707 558890.2374 5.8163 5.8653 LDB: ============= START OF LOAD BALANCING ============== 7598.25 LDB: ============== END OF LOAD BALANCING =============== 7598.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7598.25 LDB: ============= START OF LOAD BALANCING ============== 7598.55 LDB: Largest compute 4772 load 0.029962 is 25.4% of average load 0.118093 LDB: Average compute 0.001720 is 1.5% of average load 0.118093 LDB: TIME 7598.56 LOAD: AVG 0.118093 MAX 0.209396 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.504 MB LDB: TIME 7598.56 LOAD: AVG 0.118093 MAX 0.209396 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.57 MB LDB: TIME 7598.56 LOAD: AVG 0.118093 MAX 0.209396 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.57 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7598.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7598.56 PRESSURE: 2520400 158.453 -121.959 66.8045 -121.958 -334.142 -93.1378 66.8042 -93.1381 2.03926 GPRESSURE: 2520400 221.791 -161.501 115.056 -178.431 -320.265 -128.935 -24.2806 -19.4909 35.3306 PRESSAVG: 2520400 -18.1898 -45.9196 48.7233 -45.9197 -7.0655 -23.2424 48.7233 -23.2423 58.9167 GPRESSAVG: 2520400 -18.4294 -46.1397 48.1849 -47.1278 -6.57852 -22.2793 47.63 -24.1788 58.4097 TIMING: 2520400 CPU: 7595.35, 0.00305897/step Wall: 7595.35, 0.00305897/step, 2.10695 hours remaining, 209.050781 MB of memory in use. ENERGY: 2520400 750.9666 2105.0314 1948.1462 95.4033 -205768.5207 17655.6857 0.0000 0.0000 34105.6306 -149107.6570 297.8530 -183213.2876 -149012.2921 298.8185 -57.8833 -21.0480 557928.0710 11.2205 11.1339 PRESSURE: 2520600 -11.5523 80.9348 62.3159 80.9363 58.564 -80.1246 62.314 -80.1234 11.5572 GPRESSURE: 2520600 39.3534 143.53 107.262 75.7969 110.402 -40.1393 -4.37929 -33.6962 22.2 PRESSAVG: 2520600 -22.6679 51.2794 36.2746 51.2794 4.48346 -30.5229 36.2746 -30.5227 35.9898 GPRESSAVG: 2520600 -22.102 49.3946 37.0772 50.5254 3.9173 -31.0085 36.8859 -28.7207 35.9099 TIMING: 2520600 CPU: 7595.95, 0.00299821/step Wall: 7595.95, 0.00299821/step, 2.06493 hours remaining, 209.253906 MB of memory in use. ENERGY: 2520600 746.4489 2109.7146 1938.3417 126.9362 -206350.9653 18038.9284 0.0000 0.0000 34256.7801 -149133.8154 299.1730 -183390.5955 -149037.4172 299.1343 19.5230 57.3185 558529.5164 5.9351 5.9084 PRESSURE: 2520800 -273.149 28.7355 11.0309 28.7352 -84.1197 149.971 11.0312 149.971 -119.544 GPRESSURE: 2520800 -306.053 111.814 28.65 13.3078 -25.6723 175.95 26.593 147.879 -39.3402 PRESSAVG: 2520800 -33.6399 55.8379 12.8797 55.8378 24.6757 -27.0453 12.8796 -27.0454 6.34102 GPRESSAVG: 2520800 -34.1329 55.6382 10.347 56.9279 24.2876 -26.5432 14.3807 -29.56 6.48527 TIMING: 2520800 CPU: 7596.55, 0.00301465/step Wall: 7596.55, 0.00301465/step, 2.07609 hours remaining, 209.406250 MB of memory in use. ENERGY: 2520800 775.2599 2053.3948 1942.3911 107.7293 -205882.0069 17580.0068 0.0000 0.0000 34276.3976 -149146.8275 299.3443 -183423.2250 -149056.6953 300.0029 -158.9378 -123.6885 559895.0043 -0.8744 -1.1200 PRESSURE: 2521000 58.9699 -63.1236 -57.4687 -63.1244 -97.5223 94.9076 -57.4696 94.9073 96.2138 GPRESSURE: 2521000 132.026 -106.569 -36.1457 -17.4009 -167.22 101.925 -142.68 77.2642 187.291 PRESSAVG: 2521000 8.43352 41.5308 42.0505 41.5309 -44.7019 -10.7745 42.0504 -10.7744 57.2757 GPRESSAVG: 2521000 8.92898 43.3599 43.5669 41.1218 -44.5285 -12.3604 40.1145 -8.87806 56.6625 TIMING: 2521000 CPU: 7597.16, 0.0030347/step Wall: 7597.16, 0.0030347/step, 2.08973 hours remaining, 209.406250 MB of memory in use. ENERGY: 2521000 756.0482 2048.3969 1964.4457 102.0423 -206318.6857 17871.8581 0.0000 0.0000 34318.2318 -149257.6627 299.7097 -183575.8945 -149169.7251 299.1373 19.2204 50.6989 558818.2806 7.0024 7.0210 PRESSURE: 2521200 -113.589 38.6809 -59.0771 38.6791 200.425 -146.19 -59.0772 -146.191 -341.385 GPRESSURE: 2521200 -115.439 143.293 -54.7942 -21.6434 192.585 -145.233 -91.3794 -118.276 -238.91 PRESSAVG: 2521200 -25.3615 7.81035 6.12402 7.81032 51.1862 -51.2848 6.12394 -51.2847 -78.4798 GPRESSAVG: 2521200 -24.7369 7.25415 5.74866 8.69075 50.6908 -50.6994 6.34824 -51.0646 -78.5216 TIMING: 2521200 CPU: 7597.76, 0.00300129/step Wall: 7597.76, 0.00300129/step, 2.06656 hours remaining, 209.406250 MB of memory in use. ENERGY: 2521200 747.3727 2100.0188 1968.9042 104.0630 -206383.2865 17788.6394 0.0000 0.0000 34375.5063 -149298.7822 300.2098 -183674.2884 -149196.8894 299.3735 -84.8497 -53.9214 559497.1958 -17.5517 -17.5226 PRESSURE: 2521400 -166.732 131.226 -80.665 131.228 51.6637 -5.57062 -80.6659 -5.57229 -185.403 GPRESSURE: 2521400 -162.176 242.064 -111.018 53.2516 77.8226 -30.7642 -74.6692 24.2117 -121.585 PRESSAVG: 2521400 66.6006 86.2977 47.6511 86.2977 59.3707 -13.7463 47.6512 -13.7465 -85.3787 GPRESSAVG: 2521400 65.9775 85.1945 48.6811 85.2912 59.5338 -13.7019 50.695 -14.4112 -85.0471 TIMING: 2521400 CPU: 7598.36, 0.00299155/step Wall: 7598.36, 0.00299154/step, 2.05968 hours remaining, 209.406250 MB of memory in use. ENERGY: 2521400 761.1245 2138.1777 1918.7045 102.7097 -206497.5058 17866.5107 0.0000 0.0000 34183.8681 -149526.4106 298.5362 -183710.2787 -149435.1103 298.9718 -100.1570 -68.6459 558362.7145 13.5309 13.4881 PRESSURE: 2521600 -99.8647 59.7771 125.093 59.7765 -295.877 -65.3991 125.092 -65.3992 114.639 GPRESSURE: 2521600 -24.7199 -10.6605 95.7355 44.3332 -235.143 -160.767 127.718 45.5712 77.8911 PRESSAVG: 2521600 -12.9479 -2.43176 -0.856471 -2.43169 -10.496 -35.062 -0.856392 -35.0621 67.419 GPRESSAVG: 2521600 -11.9936 -1.13821 -0.879927 -3.36337 -10.7807 -36.7021 -1.49434 -33.2484 66.8891 TIMING: 2521600 CPU: 7598.95, 0.00296173/step Wall: 7598.95, 0.00296173/step, 2.03898 hours remaining, 209.406250 MB of memory in use. ENERGY: 2521600 748.3262 2117.2621 1945.6086 112.4537 -206438.1512 17863.7239 0.0000 0.0000 34155.8317 -149494.9450 298.2914 -183650.7767 -149397.7043 297.6865 -93.7008 -60.6572 558849.6887 14.6583 14.7049 PRESSURE: 2521800 -180.225 49.8113 -150.55 49.8106 -336.163 170.519 -150.55 170.519 -146.384 GPRESSURE: 2521800 -140.843 31.2201 -202.801 127.406 -258.192 102.505 -55.9735 162.793 -159.777 PRESSAVG: 2521800 63.7693 6.2231 9.69019 6.22302 -44.9137 1.46869 9.69017 1.46866 -10.4658 GPRESSAVG: 2521800 62.5797 5.46674 10.1694 7.03267 -44.1807 3.15753 10.4932 -0.0343241 -10.0115 TIMING: 2521800 CPU: 7599.55, 0.00298666/step Wall: 7599.55, 0.00298666/step, 2.05599 hours remaining, 209.406250 MB of memory in use. ENERGY: 2521800 776.0891 2134.7685 1940.1525 115.0832 -205941.9708 17541.4458 0.0000 0.0000 34052.4814 -149381.9504 297.3888 -183434.4318 -149293.1693 297.9407 -220.9243 -186.2709 558497.2402 2.7966 2.7958 PRESSURE: 2522000 -94.5506 -210.887 31.5775 -210.888 -172.851 -29.7033 31.5776 -29.7029 -122.649 GPRESSURE: 2522000 -45.3322 -188.076 10.7696 -222.67 -75.4875 -54.2586 23.3325 -68.4043 -165.811 PRESSAVG: 2522000 13.1587 24.3387 0.447903 24.3387 -16.9753 -17.4702 0.447861 -17.47 -32.1901 GPRESSAVG: 2522000 14.1066 23.063 0.599557 24.5835 -17.6582 -17.6806 0.743257 -16.9928 -32.6649 TIMING: 2522000 CPU: 7600.14, 0.00299622/step Wall: 7600.14, 0.00299622/step, 2.0624 hours remaining, 209.406250 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: 2522000 746.2793 2045.6186 1987.1475 122.9953 -206424.2818 17904.9793 0.0000 0.0000 34229.5419 -149387.7198 298.9351 -183617.2617 -149293.3060 298.5867 -130.0170 -95.5437 556713.2155 -12.0022 -12.0721 PRESSURE: 2522200 -2.05277 -124.076 -158.51 -124.076 -127.324 -67.8703 -158.509 -67.8702 331.947 GPRESSURE: 2522200 58.8006 -36.3042 -114.473 -100.301 -102.039 -11.2928 -166.978 -26.9254 340.313 PRESSAVG: 2522200 -20.9782 36.945 -12.7446 36.9449 15.6642 33.3804 -12.7447 33.3805 -2.89696 GPRESSAVG: 2522200 -21.4397 36.7924 -13.6809 37.6279 15.6241 33.3514 -12.4665 33.2869 -2.63201 TIMING: 2522200 CPU: 7600.74, 0.00299101/step Wall: 7600.74, 0.00299101/step, 2.05864 hours remaining, 209.406250 MB of memory in use. ENERGY: 2522200 754.8763 2021.8602 1961.6326 115.1087 -206579.5948 18005.7104 0.0000 0.0000 34109.2439 -149611.1628 297.8845 -183720.4067 -149508.9074 298.0389 67.5235 99.0246 555012.1119 -2.7370 -2.8159 PRESSURE: 2522400 -87.8457 -46.2682 26.8072 -46.2663 -90.679 14.7473 26.8071 14.7478 112.291 GPRESSURE: 2522400 -14.6559 -37.624 -52.6881 -5.6908 -33.6202 77.7069 52.4634 -6.31074 76.1417 PRESSAVG: 2522400 -1.41126 35.9305 -54.192 35.9305 53.6018 12.1615 -54.1921 12.1615 -12.7028 GPRESSAVG: 2522400 -2.259 36.5673 -55.5529 35.3983 54.2767 10.376 -54.2172 11.8883 -12.5658 TIMING: 2522400 CPU: 7601.34, 0.00299053/step Wall: 7601.34, 0.00299053/step, 2.05815 hours remaining, 209.406250 MB of memory in use. ENERGY: 2522400 749.9634 2070.2812 1966.7813 115.3021 -206364.5564 17810.8223 0.0000 0.0000 34181.3198 -149470.0863 298.5140 -183651.4061 -149372.8321 298.6523 -22.0780 9.2885 556184.0870 13.1626 13.1506 PRESSURE: 2522600 -30.9897 -42.5074 -34.0385 -42.508 -121.793 206.324 -34.0379 206.326 -9.37296 GPRESSURE: 2522600 -11.5534 96.6751 -118.522 -168.847 -103.252 236.911 -13.4006 227.651 49.6829 PRESSAVG: 2522600 34.028 28.1072 -38.8749 28.1072 -32.6702 56.5991 -38.8748 56.5991 -13.2769 GPRESSAVG: 2522600 35.8207 27.9825 -36.2692 28.1279 -33.7662 58.3184 -39.7778 57.5219 -13.558 TIMING: 2522600 CPU: 7601.94, 0.00298674/step Wall: 7601.94, 0.00298674/step, 2.05537 hours remaining, 209.406250 MB of memory in use. ENERGY: 2522600 787.2134 2086.6813 1938.7696 124.2558 -206705.9222 17874.5650 0.0000 0.0000 34389.8815 -149504.5558 300.3354 -183894.4372 -149409.3171 299.0577 -54.0517 -21.7076 557720.6981 -3.9730 -3.8345 PRESSURE: 2522800 -5.15104 64.5847 21.3324 64.5861 -315.638 -70.4052 21.3333 -70.407 -66.3871 GPRESSURE: 2522800 31.8995 80.6661 69.0034 15.9063 -312.701 -73.8511 26.1605 -58.6853 -7.09585 PRESSAVG: 2522800 -1.13233 18.0264 -5.99537 18.0264 -78.1429 15.7372 -5.99528 15.7372 62.1584 GPRESSAVG: 2522800 -0.174231 18.0516 -6.46988 19.2314 -78.0997 15.4456 -6.00403 15.8802 62.133 TIMING: 2522800 CPU: 7602.54, 0.00298882/step Wall: 7602.54, 0.00298882/step, 2.05664 hours remaining, 209.406250 MB of memory in use. ENERGY: 2522800 719.6089 2093.9981 1952.1551 114.1673 -206304.8861 17620.3085 0.0000 0.0000 34236.0976 -149568.5506 298.9924 -183804.6482 -149475.0422 298.6815 -129.0588 -95.9657 557221.4480 -5.7056 -5.3803 PRESSURE: 2523000 -13.7309 -32.8274 5.40964 -32.8261 107.422 -85.6365 5.41184 -85.6364 -133.609 GPRESSURE: 2523000 49.2691 18.7546 18.2023 -17.3577 114.526 -120.601 -62.6054 -40.8342 -110.683 PRESSAVG: 2523000 21.2976 80.6187 -26.2543 80.6187 -59.6762 54.1211 -26.2543 54.1211 56.6535 GPRESSAVG: 2523000 20.7995 78.7505 -28.6086 81.7123 -58.4312 53.7842 -25.4855 53.7635 56.0315 TIMING: 2523000 CPU: 7603.13, 0.00298954/step Wall: 7603.13, 0.00298954/step, 2.05697 hours remaining, 209.406250 MB of memory in use. ENERGY: 2523000 737.4616 2115.0706 1955.2159 111.6281 -206283.0972 17750.2943 0.0000 0.0000 34228.3729 -149385.0539 298.9249 -183613.4268 -149287.1148 298.9695 -13.3062 17.7042 557466.1503 6.0916 6.1332 PRESSURE: 2523200 -30.93 3.06941 -128.869 3.07003 -5.44347 228.231 -128.869 228.232 -41.3721 GPRESSURE: 2523200 -9.62058 -17.0657 -155.231 52.6991 1.39394 217.992 -70.2628 148.848 25.9332 PRESSAVG: 2523200 -3.9881 75.1564 -61.4603 75.1564 -2.90235 -12.6298 -61.4603 -12.6297 27.5748 GPRESSAVG: 2523200 -4.544 77.3785 -60.655 73.6526 -2.94435 -11.7287 -62.0217 -12.8521 28.2327 TIMING: 2523200 CPU: 7603.74, 0.00302647/step Wall: 7603.74, 0.00302647/step, 2.08221 hours remaining, 209.406250 MB of memory in use. ENERGY: 2523200 748.3790 2087.5930 1968.5239 110.0950 -206417.7339 17771.2813 0.0000 0.0000 34393.6835 -149338.1782 300.3686 -183731.8617 -149235.1339 299.2175 -25.9152 5.9022 557057.5081 6.8948 6.9148 PRESSURE: 2523400 -194.65 25.2338 14.4796 25.2339 -115.56 44.8206 14.4805 44.8202 -152.039 GPRESSURE: 2523400 -92.1063 58.6155 12.3459 -63.7402 -99.5616 59.1736 54.8311 10.6925 -169.285 PRESSAVG: 2523400 -2.34722 2.06949 14.1278 2.0694 52.1764 29.5893 14.1278 29.5895 -22.5592 GPRESSAVG: 2523400 -3.08237 0.630817 13.5556 1.46507 53.0011 30.3543 14.1109 30.1123 -22.1394 TIMING: 2523400 CPU: 7604.34, 0.00300113/step Wall: 7604.34, 0.00300113/step, 2.06461 hours remaining, 209.406250 MB of memory in use. ENERGY: 2523400 781.6832 2103.4524 1955.0301 111.8532 -206169.4277 17706.1535 0.0000 0.0000 34317.5205 -149193.7348 299.7034 -183511.2552 -149100.0038 299.2118 -154.0833 -120.3176 557231.2047 9.0900 9.2598 PRESSURE: 2523600 -131.852 273.803 -102.613 273.803 -299.67 119.671 -102.611 119.671 -294.993 GPRESSURE: 2523600 -95.0104 217.199 -156.47 265.998 -290.869 144.4 -53.4292 39.9913 -241.795 PRESSAVG: 2523600 22.4111 102.602 -13.9066 102.602 2.14359 -36.8856 -13.9067 -36.8856 -13.0472 GPRESSAVG: 2523600 23.6854 102.854 -12.0466 104.291 1.61331 -38.4829 -13.5623 -36.148 -14.1393 TIMING: 2523600 CPU: 7604.94, 0.00298584/step Wall: 7604.94, 0.00298584/step, 2.05393 hours remaining, 209.406250 MB of memory in use. ENERGY: 2523600 736.8243 2025.1832 1926.0626 126.4531 -205712.6329 17419.6489 0.0000 0.0000 34335.3629 -149143.0978 299.8593 -183478.4608 -149047.4100 300.0827 -242.1716 -209.2247 557979.3525 3.8358 3.7198 PRESSURE: 2523800 -61.882 57.7382 4.57259 57.7379 -210.224 -13.4669 4.57112 -13.4653 -332.385 GPRESSURE: 2523800 2.20304 56.9927 -68.712 10.8279 -177.612 -15.2565 40.9332 -47.042 -323.735 PRESSAVG: 2523800 -8.20793 -1.03753 -18.1268 -1.03751 5.15944 24.2299 -18.1268 24.23 0.430741 GPRESSAVG: 2523800 -8.13844 0.751947 -19.1187 -0.996812 3.9036 23.8125 -18.9007 22.7248 1.96756 TIMING: 2523800 CPU: 7605.54, 0.0030009/step Wall: 7605.54, 0.0030009/step, 2.06412 hours remaining, 209.406250 MB of memory in use. ENERGY: 2523800 771.2782 2092.5879 1970.2702 119.5860 -205932.9469 17471.3869 0.0000 0.0000 34280.5546 -149227.2832 299.3806 -183507.8377 -149123.4481 298.9091 -201.4970 -166.3812 557657.1186 -0.8726 -0.7558 PRESSURE: 2524000 -92.4348 -107.968 -51.0215 -107.97 240.5 -68.8999 -51.0211 -68.9 -255.414 GPRESSURE: 2524000 -85.3038 -138.418 14.3621 -47.7126 247.782 -149.793 -118.896 -66.3112 -177.313 PRESSAVG: 2524000 -33.8156 -11.1483 16.8319 -11.1482 4.52347 -6.7996 16.8319 -6.79959 -20.5543 GPRESSAVG: 2524000 -33.8584 -10.3978 16.7575 -13.9211 5.62367 -4.64395 17.5918 -7.20225 -21.6969 TIMING: 2524000 CPU: 7606.14, 0.00300339/step Wall: 7606.14, 0.00300339/step, 2.06566 hours remaining, 209.406250 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: 2524000 730.6027 2096.1557 1956.5397 107.5396 -206115.4404 17754.6350 0.0000 0.0000 34166.7581 -149303.2095 298.3868 -183469.9677 -149213.8714 299.4709 -35.7829 -4.9450 557715.6422 -16.6155 -16.6439 PRESSURE: 2524200 86.2537 -118.704 158.183 -118.705 155.518 0.45499 158.182 0.455248 -280.734 GPRESSURE: 2524200 82.2635 -53.3697 28.0974 -164.344 213.238 55.3458 130.376 0.37381 -238.474 PRESSAVG: 2524200 29.1082 -20.0058 15.0224 -20.0057 7.15121 -6.99913 15.0225 -6.99899 -31.116 GPRESSAVG: 2524200 30.0327 -22.4354 16.034 -17.1967 6.31727 -7.09045 12.931 -7.11824 -30.4062 TIMING: 2524200 CPU: 7606.74, 0.00303237/step Wall: 7606.74, 0.00303237/step, 2.08543 hours remaining, 209.406250 MB of memory in use. ENERGY: 2524200 734.7881 2101.1104 1949.0401 119.3512 -206549.4100 18068.3271 0.0000 0.0000 34201.5763 -149375.2169 298.6909 -183576.7932 -149285.2278 299.3304 -12.9874 19.0092 558114.4776 1.7145 1.9812 LDB: ============= START OF LOAD BALANCING ============== 7610.26 LDB: ============== END OF LOAD BALANCING =============== 7610.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7610.26 LDB: ============= START OF LOAD BALANCING ============== 7610.56 LDB: Largest compute 4772 load 0.028621 is 24.3% of average load 0.118013 LDB: Average compute 0.001730 is 1.5% of average load 0.118013 LDB: TIME 7610.57 LOAD: AVG 0.118013 MAX 0.210022 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.453 MB LDB: TIME 7610.57 LOAD: AVG 0.118013 MAX 0.210022 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.484 MB LDB: TIME 7610.57 LOAD: AVG 0.118013 MAX 0.210022 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.484 MB LDB: ============== END OF LOAD BALANCING =============== 7610.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7610.57 PRESSURE: 2524400 -73.5331 16.5462 -65.6896 16.5472 52.4928 76.745 -65.691 76.7446 260.494 GPRESSURE: 2524400 -68.114 -40.9876 0.053335 45.1119 104.923 49.4299 -83.495 80.7903 294.057 PRESSAVG: 2524400 -0.887431 13.6556 14.5951 13.6555 17.6756 112.669 14.5951 112.669 -7.31452 GPRESSAVG: 2524400 -1.91241 14.1641 12.3647 12.0305 18.9653 110.086 15.8358 114.488 -7.49654 TIMING: 2524400 CPU: 7607.36, 0.00306493/step Wall: 7607.36, 0.00306493/step, 2.10765 hours remaining, 210.347656 MB of memory in use. ENERGY: 2524400 752.1366 2039.3471 1955.8539 111.3616 -206504.7095 18057.6757 0.0000 0.0000 34212.9484 -149375.3863 298.7902 -183588.3347 -149272.0734 298.7434 79.8178 110.2888 558281.6496 3.1579 3.1854 PRESSURE: 2524600 203.366 14.5023 -132.638 14.5021 60.5056 132.05 -132.638 132.051 -164.216 GPRESSURE: 2524600 234.685 -62.4432 -162.266 -25.8308 59.8981 148.217 -105.108 115.829 -112.821 PRESSAVG: 2524600 -7.93516 -39.75 -8.81205 -39.7499 19.2549 -15.0737 -8.81202 -15.0736 -32.407 GPRESSAVG: 2524600 -7.28469 -39.1113 -7.82611 -42.2266 17.3908 -13.2899 -8.58137 -16.7362 -31.3537 TIMING: 2524600 CPU: 7607.96, 0.00301991/step Wall: 7607.96, 0.00301991/step, 2.07652 hours remaining, 210.550781 MB of memory in use. ENERGY: 2524600 741.1111 2063.6534 1959.2149 123.1932 -206448.5947 18041.6163 0.0000 0.0000 34101.8573 -149417.9486 297.8200 -183519.8058 -149319.0048 298.5831 33.2184 60.5873 557389.2052 -7.0291 -7.0825 PRESSURE: 2524800 71.6388 -62.6254 -23.2945 -62.6247 -235.063 149.591 -23.2945 149.59 -89.5757 GPRESSURE: 2524800 61.8173 -1.69661 5.21722 -15.5596 -215.339 190.877 -24.6258 135.271 -4.78147 PRESSAVG: 2524800 3.35138 0.346935 -12.8379 0.346922 -0.91421 -6.84916 -12.8379 -6.84914 2.81777 GPRESSAVG: 2524800 2.31232 -1.75291 -13.9526 3.83732 0.1241 -5.92001 -12.2188 -7.44152 3.18832 TIMING: 2524800 CPU: 7608.57, 0.00302464/step Wall: 7608.57, 0.00302464/step, 2.07961 hours remaining, 210.753906 MB of memory in use. ENERGY: 2524800 741.7396 2094.4777 1949.8682 114.1774 -206268.0974 17846.3382 0.0000 0.0000 34130.7304 -149390.7659 298.0722 -183521.4963 -149289.8778 298.7607 -84.3334 -52.7678 559553.4222 1.7516 1.8749 PRESSURE: 2525000 -238.899 -65.8296 22.167 -65.8299 50.2486 101.695 22.1667 101.696 -171.957 GPRESSURE: 2525000 -223.553 -42.2048 -79.761 -67.73 98.6913 106.387 95.6238 114.595 -136.19 PRESSAVG: 2525000 -30.7895 9.15722 -13.6931 9.15729 14.9516 -21.0835 -13.6931 -21.0834 11.5658 GPRESSAVG: 2525000 -30.3005 11.7495 -12.3029 6.7685 14.7534 -21.459 -13.9721 -20.5847 11.6608 TIMING: 2525000 CPU: 7609.17, 0.00301927/step Wall: 7609.17, 0.00301927/step, 2.07575 hours remaining, 210.753906 MB of memory in use. ENERGY: 2525000 753.2729 2107.5956 1994.7050 114.4985 -206298.4802 17780.4803 0.0000 0.0000 34352.7393 -149195.1887 300.0110 -183547.9279 -149099.4288 299.5143 -120.2022 -87.0171 557802.4548 -1.4240 -1.2954 PRESSURE: 2525200 -19.9601 -19.1921 100.898 -19.1927 2.8242 -15.3893 100.896 -15.3896 52.9148 GPRESSURE: 2525200 40.9842 -100.927 193.014 -74.7682 70.9073 -38.5974 29.2738 17.8776 11.2405 PRESSAVG: 2525200 -59.599 -54.4782 8.00422 -54.4783 67.6964 -72.311 8.00426 -72.3111 1.9986 GPRESSAVG: 2525200 -59.3518 -57.2615 7.46971 -52.459 68.3472 -70.8521 7.37127 -74.1067 0.944767 TIMING: 2525200 CPU: 7609.78, 0.00302663/step Wall: 7609.78, 0.00302663/step, 2.08064 hours remaining, 210.753906 MB of memory in use. ENERGY: 2525200 717.4774 2131.9776 1962.2182 111.5357 -206119.8582 17830.6610 0.0000 0.0000 34161.6300 -149204.3583 298.3420 -183365.9883 -149106.2815 299.3374 11.9263 41.0440 559685.8129 3.3653 3.3134 PRESSURE: 2525400 -12.6234 15.9047 111.69 15.9031 -206.219 -92.1692 111.689 -92.1706 68.8509 GPRESSURE: 2525400 -17.9893 9.2714 169.995 22.3149 -123.976 -128.989 105.727 -147.434 84.7302 PRESSAVG: 2525400 30.8901 31.7489 19.2738 31.7488 -73.5068 -50.7714 19.2737 -50.7712 9.67816 GPRESSAVG: 2525400 30.0013 32.6112 17.4176 32.3772 -73.8336 -54.5121 20.8297 -47.0247 10.948 TIMING: 2525400 CPU: 7610.38, 0.00303271/step Wall: 7610.38, 0.00303271/step, 2.08465 hours remaining, 210.753906 MB of memory in use. ENERGY: 2525400 735.0207 2086.0867 1932.2258 114.4767 -205723.0236 17457.5096 0.0000 0.0000 34114.0122 -149283.6919 297.9262 -183397.7041 -149180.5234 298.5958 -49.9972 -19.0782 557270.9603 -10.9795 -10.9614 PRESSURE: 2525600 -284.381 -126.679 16.0819 -126.679 70.6402 -52.6832 16.0808 -52.683 -71.5093 GPRESSURE: 2525600 -210.198 -48.7054 21.9953 -216.342 76.5129 -49.1167 -29.0775 -71.7759 -65.0582 PRESSAVG: 2525600 -65.9865 6.65732 -40.3459 6.65728 -25.3662 -49.4961 -40.3459 -49.4961 83.821 GPRESSAVG: 2525600 -65.6917 7.34018 -37.3224 5.10496 -24.9613 -47.6048 -41.826 -48.9927 83.1118 TIMING: 2525600 CPU: 7610.99, 0.0030371/step Wall: 7610.99, 0.0030371/step, 2.0875 hours remaining, 210.753906 MB of memory in use. ENERGY: 2525600 778.2381 2017.0599 1948.0170 105.1538 -205984.0950 17801.5768 0.0000 0.0000 34108.4613 -149225.5881 297.8777 -183334.0494 -149127.3770 298.3796 -95.0835 -66.2477 558327.4716 -2.5105 -2.5137 PRESSURE: 2525800 -93.0348 23.0484 40.4351 23.0495 4.3515 -22.9924 40.434 -22.9936 -8.48594 GPRESSURE: 2525800 -50.6621 71.4507 44.6254 -24.714 43.541 -8.17496 45.5281 -42.6294 1.00694 PRESSAVG: 2525800 23.6603 41.8613 -16.9287 41.8613 19.3994 -8.49652 -16.9287 -8.49663 -66.6135 GPRESSAVG: 2525800 23.3994 41.711 -19.9747 42.0399 19.634 -8.55261 -15.9939 -10.8508 -66.3746 TIMING: 2525800 CPU: 7611.59, 0.00300462/step Wall: 7611.59, 0.00300462/step, 2.06501 hours remaining, 210.753906 MB of memory in use. ENERGY: 2525800 707.6060 2081.0294 1945.7892 114.0926 -205858.8160 17690.3748 0.0000 0.0000 34264.7846 -149055.1393 299.2429 -183319.9239 -148962.5459 299.3465 -32.3898 -2.0381 557608.8401 -7.8512 -7.7804 PRESSURE: 2526000 -310.933 124.818 42.9429 124.819 -28.0449 -142.975 42.9419 -142.975 80.0745 GPRESSURE: 2526000 -256.356 120.759 66.5695 114.148 -33.4777 -133.382 -21.5046 -46.2565 115.253 PRESSAVG: 2526000 2.83896 -5.25186 11.1469 -5.25192 -40.9324 13.2444 11.1468 13.2444 30.4738 GPRESSAVG: 2526000 2.87145 -8.01199 10.7029 -4.90256 -40.9813 12.6282 11.0616 14.7349 30.3898 TIMING: 2526000 CPU: 7612.19, 0.00300122/step Wall: 7612.19, 0.00300122/step, 2.06251 hours remaining, 210.753906 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: 2526000 708.9844 2018.8507 1938.3962 116.2769 -205724.0989 17617.1179 0.0000 0.0000 34013.1572 -149311.3156 297.0454 -183324.4728 -149214.8192 298.7403 -86.3010 -58.1934 558661.6320 -2.5399 -2.5734 PRESSURE: 2526200 119.116 8.83004 -119.126 8.82948 -83.8509 71.644 -119.125 71.6431 82.051 GPRESSURE: 2526200 147.728 -19.734 -69.1762 5.53527 -53.8101 74.8192 -123.031 65.2079 113.198 PRESSAVG: 2526200 12.9151 70.6701 39.3588 70.6701 -42.7304 -42.9471 39.3587 -42.9471 22.1669 GPRESSAVG: 2526200 14.6018 72.516 40.7828 69.9242 -43.1869 -40.6701 38.3083 -44.0388 20.635 TIMING: 2526200 CPU: 7612.8, 0.00306889/step Wall: 7612.8, 0.00306889/step, 2.10884 hours remaining, 210.753906 MB of memory in use. ENERGY: 2526200 744.9838 2100.7718 1942.9323 105.0884 -206872.2058 18083.2692 0.0000 0.0000 34475.2182 -149419.9420 301.0807 -183895.1603 -149324.7295 298.6843 39.1055 69.0385 556128.6923 -2.5494 -2.6500 PRESSURE: 2526400 -24.6924 10.8116 -22.0638 10.811 -15.1251 80.6795 -22.0638 80.6811 -174.173 GPRESSURE: 2526400 48.7454 3.30191 -67.2211 -56.5108 3.62932 23.9694 -28.4536 19.5075 -175.771 PRESSAVG: 2526400 43.6125 11.3798 6.45691 11.3799 -41.6103 -49.7426 6.45676 -49.7426 -10.789 GPRESSAVG: 2526400 42.6213 10.5451 7.71594 12.3443 -40.986 -51.4533 7.62257 -48.2041 -10.9957 TIMING: 2526400 CPU: 7613.41, 0.00302433/step Wall: 7613.41, 0.00302433/step, 2.07805 hours remaining, 210.753906 MB of memory in use. ENERGY: 2526400 756.4199 2083.8599 1930.8224 108.7135 -205805.6011 17547.6655 0.0000 0.0000 33931.1862 -149446.9337 296.3295 -183378.1200 -149355.5742 298.7519 -71.3302 -41.1320 556414.7431 -2.9290 -3.1201 PRESSURE: 2526600 -67.2566 -69.8375 -70.0791 -69.8371 101.351 -78.3494 -70.0802 -78.3508 200.13 GPRESSURE: 2526600 -23.5431 -132.346 -85.1912 -135.965 117.123 -14.8913 -33.633 -94.3495 244.026 PRESSAVG: 2526600 116.352 44.1086 -5.29659 44.1086 1.5607 -24.7172 -5.2967 -24.7172 -98.6992 GPRESSAVG: 2526600 116.443 44.4561 -6.85362 44.3955 1.41747 -26.4443 -5.64332 -25.9601 -98.1842 TIMING: 2526600 CPU: 7614.01, 0.0030162/step Wall: 7614.01, 0.0030162/step, 2.07229 hours remaining, 210.753906 MB of memory in use. ENERGY: 2526600 713.8361 2105.4492 1939.4013 108.2981 -206520.5516 17823.4486 0.0000 0.0000 34375.4914 -149454.6269 300.2097 -183830.1183 -149347.4889 298.7385 78.0747 112.5354 556941.1692 6.4044 6.5588 PRESSURE: 2526800 17.7839 35.3767 223.836 35.3767 -9.48597 23.9368 223.837 23.9365 112.732 GPRESSURE: 2526800 15.1831 -2.87452 200.061 75.5879 86.8475 63.6753 241.164 -27.4963 119.783 PRESSAVG: 2526800 12.8237 -35.8572 48.4142 -35.8572 4.90111 -47.5331 48.4143 -47.5331 9.68429 GPRESSAVG: 2526800 12.8303 -35.0989 48.0386 -34.7593 4.73345 -45.6677 47.2872 -45.5156 10.0226 TIMING: 2526800 CPU: 7614.62, 0.00303597/step Wall: 7614.62, 0.00303597/step, 2.08571 hours remaining, 210.753906 MB of memory in use. ENERGY: 2526800 710.9596 2103.1979 1948.5795 101.4765 -206540.3596 17968.3039 0.0000 0.0000 34081.4949 -149626.3473 297.6422 -183707.8423 -149536.8867 298.5286 40.3432 73.9380 556293.6997 9.1364 9.1955 PRESSURE: 2527000 -118.037 10.3322 -84.5565 10.3318 -287.177 -41.5242 -84.5561 -41.5247 -215.938 GPRESSURE: 2527000 -74.5778 -16.5695 -93.1688 61.6796 -231.311 -25.3269 -132.266 -40.8152 -225.459 PRESSAVG: 2527000 55.8365 25.7129 4.04137 25.7129 -59.5301 -16.3803 4.04134 -16.3803 -20.0352 GPRESSAVG: 2527000 54.7284 27.0852 3.69796 25.0516 -58.2397 -15.6887 6.42808 -17.1763 -19.8688 TIMING: 2527000 CPU: 7615.22, 0.00302099/step Wall: 7615.22, 0.00302099/step, 2.07525 hours remaining, 210.753906 MB of memory in use. ENERGY: 2527000 718.5348 2135.6666 1920.7045 107.8033 -206428.7755 17644.6489 0.0000 0.0000 34155.8027 -149745.6147 298.2911 -183901.4174 -149650.1764 297.9583 -207.0505 -177.1159 558014.6586 -7.9096 -7.7934 PRESSURE: 2527200 -44.3373 130.153 115.34 130.155 -28.7589 214.029 115.339 214.03 -107.013 GPRESSURE: 2527200 -96.1503 82.7281 41.3349 167.409 28.5584 167.535 146.937 239.52 -10.8673 PRESSAVG: 2527200 25.5384 22.7859 -48.6962 22.7859 -44.8944 18.7355 -48.6962 18.7355 8.03004 GPRESSAVG: 2527200 25.5012 19.9611 -48.1122 24.3761 -44.3781 18.8324 -48.484 17.0171 6.99376 TIMING: 2527200 CPU: 7615.83, 0.00303014/step Wall: 7615.83, 0.00303014/step, 2.08137 hours remaining, 210.753906 MB of memory in use. ENERGY: 2527200 732.4363 2070.9713 1933.9156 102.9821 -206316.7606 17779.8404 0.0000 0.0000 34208.6099 -149488.0051 298.7523 -183696.6150 -149397.4938 298.1377 -60.0364 -26.1531 557009.4498 -3.7753 -3.9610 PRESSURE: 2527400 -137.496 63.9751 -78.2529 63.9743 -45.799 65.8135 -78.2545 65.8102 -415.207 GPRESSURE: 2527400 -107.532 40.8555 0.462761 66.2481 -9.79395 135.453 -141.862 -59.6933 -397.251 PRESSAVG: 2527400 27.5902 15.0409 5.76192 15.041 11.0803 3.91832 5.7619 3.9183 -32.9141 GPRESSAVG: 2527400 27.9093 16.6007 7.31665 11.9677 11.1305 3.48605 4.53623 3.6352 -33.0994 TIMING: 2527400 CPU: 7616.44, 0.00303337/step Wall: 7616.44, 0.00303337/step, 2.08342 hours remaining, 210.753906 MB of memory in use. ENERGY: 2527400 767.9440 2111.3424 1931.8326 117.2188 -206050.3157 17602.8198 0.0000 0.0000 34163.4073 -149355.7508 298.3575 -183519.1581 -149256.9689 299.0986 -199.5008 -171.5255 559082.3714 1.9188 1.9801 PRESSURE: 2527600 -135.298 -124.276 88.4098 -124.277 -179.826 185.789 88.4094 185.79 -284.131 GPRESSURE: 2527600 -111.08 -165.177 76.0941 -97.9876 -193.976 104.906 125.35 197.89 -200.883 PRESSAVG: 2527600 20.6745 30.6352 -5.89144 30.6352 -91.1509 5.31734 -5.89137 5.31741 21.1543 GPRESSAVG: 2527600 21.2135 30.0347 -6.09115 31.8533 -93.2764 4.63195 -5.88096 7.1205 22.892 TIMING: 2527600 CPU: 7617.04, 0.00300693/step Wall: 7617.04, 0.00300693/step, 2.06509 hours remaining, 210.753906 MB of memory in use. ENERGY: 2527600 766.9245 2055.9840 1941.8369 121.4529 -205619.4031 17328.5718 0.0000 0.0000 34169.3279 -149235.3051 298.4092 -183404.6330 -149139.7051 298.7072 -199.7517 -168.6461 558151.8043 -16.4407 -16.3903 PRESSURE: 2527800 73.0602 266.57 7.84489 266.571 -12.9732 46.7137 7.84531 46.7143 60.2228 GPRESSURE: 2527800 69.5213 195.531 77.9153 266.48 -9.03246 -94.1329 44.6183 88.809 162.065 PRESSAVG: 2527800 93.7021 4.16903 44.4677 4.169 -87.3498 25.9994 44.4677 25.9995 -26.8909 GPRESSAVG: 2527800 93.5253 4.68034 43.7257 3.87806 -87.0819 25.9765 45.7623 24.7136 -27.2389 TIMING: 2527800 CPU: 7617.64, 0.0030106/step Wall: 7617.64, 0.0030106/step, 2.06744 hours remaining, 210.753906 MB of memory in use. ENERGY: 2527800 755.4146 2064.5351 1944.7235 99.3361 -206221.8027 17868.9706 0.0000 0.0000 34266.9798 -149221.8429 299.2621 -183488.8227 -149128.1904 299.1770 40.1033 74.1846 557842.3409 -6.8462 -6.9319 PRESSURE: 2528000 -66.7915 123.717 -93.4613 123.716 25.3289 83.4832 -93.4628 83.4829 181.779 GPRESSURE: 2528000 -30.7413 107.597 -205.675 103.33 7.02514 88.6559 -12.7965 11.5913 256.874 PRESSAVG: 2528000 -34.3791 24.2145 19.016 24.2144 -39.8599 22.0159 19.016 22.0161 36.2708 GPRESSAVG: 2528000 -34.1857 24.8745 17.3309 24.638 -39.3306 21.5693 17.4675 24.2472 35.3117 TIMING: 2528000 CPU: 7618.24, 0.00297609/step Wall: 7618.24, 0.00297609/step, 2.04358 hours remaining, 210.753906 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: 2528000 713.6671 2108.4772 1950.0705 116.5265 -206433.1939 17928.7248 0.0000 0.0000 34399.4118 -149216.3160 300.4186 -183615.7278 -149119.5345 299.0386 46.7720 77.7192 558369.5319 -12.6560 -12.7349 PRESSURE: 2528200 -161.938 172.036 -50.4762 172.036 -42.8606 6.43368 -50.4756 6.43376 -64.9016 GPRESSURE: 2528200 -160.499 59.842 -70.2002 202.285 4.02755 -5.32082 -105.103 63.8775 -20.6818 PRESSAVG: 2528200 -38.6667 3.92479 9.93108 3.92491 25.2821 -49.7046 9.93111 -49.7045 16.2577 GPRESSAVG: 2528200 -39.3768 1.87284 10.2295 5.5071 24.774 -50.0328 10.5266 -50.4198 17.6905 TIMING: 2528200 CPU: 7618.84, 0.00303022/step Wall: 7618.84, 0.00303022/step, 2.08059 hours remaining, 210.753906 MB of memory in use. ENERGY: 2528200 723.1859 2073.5076 1961.0938 121.6219 -205918.7000 17512.0236 0.0000 0.0000 34397.5848 -149129.6824 300.4027 -183527.2672 -149031.6558 299.4004 -89.9000 -59.0509 557731.7169 0.9577 1.0292 LDB: ============= START OF LOAD BALANCING ============== 7622.36 LDB: ============== END OF LOAD BALANCING =============== 7622.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7622.36 LDB: ============= START OF LOAD BALANCING ============== 7622.67 LDB: Largest compute 4772 load 0.029212 is 24.7% of average load 0.118036 LDB: Average compute 0.001734 is 1.5% of average load 0.118036 LDB: TIME 7622.67 LOAD: AVG 0.118036 MAX 0.209209 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.688 MB LDB: TIME 7622.67 LOAD: AVG 0.118036 MAX 0.209209 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.891 MB LDB: TIME 7622.67 LOAD: AVG 0.118036 MAX 0.209209 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.891 MB LDB: ============== END OF LOAD BALANCING =============== 7622.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7622.68 PRESSURE: 2528400 -37.7919 -135.32 -141.625 -135.321 -31.5696 -113.771 -141.625 -113.77 141.521 GPRESSURE: 2528400 -48.6207 -110.749 -184.202 -178.504 56.8272 -119.725 -57.3298 -128.315 157.641 PRESSAVG: 2528400 -63.5446 25.9733 52.341 25.9733 33.6806 37.0152 52.3409 37.0152 55.4821 GPRESSAVG: 2528400 -62.9144 26.5005 53.3504 22.9548 34.0921 37.8694 50.9001 34.9373 54.5632 TIMING: 2528400 CPU: 7619.46, 0.00310029/step Wall: 7619.46, 0.00310029/step, 2.12852 hours remaining, 207.917969 MB of memory in use. ENERGY: 2528400 733.6633 2112.9336 1934.2114 124.0809 -206188.0613 17787.8044 0.0000 0.0000 34445.9773 -149049.3903 300.8253 -183495.3676 -148953.3154 299.2200 24.0533 55.2825 556456.5913 8.5394 8.5803 PRESSURE: 2528600 -489.076 27.8172 -231.414 27.817 -448.279 -21.6361 -231.415 -21.6354 -240.211 GPRESSURE: 2528600 -473.474 -14.3826 -276.849 -13.1257 -360.1 16.6488 -141.544 -35.6597 -247.901 PRESSAVG: 2528600 19.0142 -31.6168 17.4587 -31.6168 -24.6546 3.4713 17.4587 3.47123 33.7118 GPRESSAVG: 2528600 19.9194 -30.998 17.499 -31.7939 -24.8615 3.48728 17.7629 5.54235 32.7998 TIMING: 2528600 CPU: 7620.07, 0.00306533/step Wall: 7620.07, 0.00306533/step, 2.10435 hours remaining, 208.121094 MB of memory in use. ENERGY: 2528600 775.5615 2106.6521 1966.6968 108.8856 -205707.3018 17285.6102 0.0000 0.0000 34343.2044 -149120.6911 299.9277 -183463.8956 -149026.1283 300.1085 -392.5219 -360.4917 559548.1700 9.3572 9.2859 PRESSURE: 2528800 -332.881 40.7658 191.491 40.7661 23.6502 -76.0269 191.49 -76.026 8.01484 GPRESSURE: 2528800 -332.594 81.7215 134.838 -60.924 48.6784 -88.8724 244.875 -40.3187 65.0392 PRESSAVG: 2528800 -37.9275 21.5806 1.00665 21.5805 -46.1518 -18.6594 1.00667 -18.6594 70.8659 GPRESSAVG: 2528800 -39.4639 21.62 1.14666 22.6305 -46.9284 -18.3031 1.97201 -19.2605 72.7648 TIMING: 2528800 CPU: 7620.68, 0.00304344/step Wall: 7620.68, 0.00304344/step, 2.08915 hours remaining, 208.121094 MB of memory in use. ENERGY: 2528800 787.3590 2164.1736 1917.7655 110.4683 -205693.1631 17520.6991 0.0000 0.0000 34196.8213 -148995.8763 298.6493 -183192.6976 -148893.8002 299.8781 -100.4053 -72.9589 557349.1666 -4.4045 -4.5425 PRESSURE: 2529000 26.0124 16.3982 -61.5326 16.3964 -223.938 9.96925 -61.5338 9.97071 -243.588 GPRESSURE: 2529000 42.1053 31.2919 -20.9641 -38.0835 -183.828 18.7724 -82.5839 -11.5923 -213.335 PRESSAVG: 2529000 30.936 25.4395 18.4784 25.4395 -23.4287 -48.6375 18.4784 -48.6375 48.82 GPRESSAVG: 2529000 30.5504 24.6703 18.3021 26.7045 -22.6153 -49.5654 18.1365 -47.8555 48.2685 TIMING: 2529000 CPU: 7621.29, 0.00302579/step Wall: 7621.29, 0.00302579/step, 2.07687 hours remaining, 208.121094 MB of memory in use. ENERGY: 2529000 757.0930 2081.5042 1953.5102 108.9857 -205428.9643 17528.1813 0.0000 0.0000 34253.3151 -148746.3750 299.1427 -182999.6901 -148647.3550 300.8212 -147.1712 -118.3527 558855.0935 18.7758 18.7345 PRESSURE: 2529200 -243.408 -155.217 39.627 -155.216 175.053 -341.137 39.6275 -341.139 86.8492 GPRESSURE: 2529200 -243.799 -73.1188 87.6867 -116.597 218.919 -219.616 26.6297 -319.21 133.377 PRESSAVG: 2529200 -7.91768 -70.0603 17.0463 -70.0603 -19.1807 -8.57356 17.0462 -8.57363 43.5645 GPRESSAVG: 2529200 -8.02354 -70.7415 18.1818 -72.6054 -18.8855 -4.96584 14.1969 -10.9196 43.5554 TIMING: 2529200 CPU: 7621.89, 0.0030039/step Wall: 7621.89, 0.0030039/step, 2.06168 hours remaining, 208.121094 MB of memory in use. ENERGY: 2529200 766.6522 2062.9482 1936.4061 117.6370 -206109.5718 17903.9459 0.0000 0.0000 34588.8589 -148733.1235 302.0731 -183321.9824 -148631.8836 299.9722 6.1648 36.1656 556860.5403 5.4887 5.5488 PRESSURE: 2529400 123.392 10.221 48.3139 10.2211 193.554 138.725 48.3129 138.723 219.226 GPRESSURE: 2529400 179.836 -31.0154 26.3057 2.00252 242.089 142.699 -34.8651 40.7078 199.914 PRESSAVG: 2529400 -8.28476 19.9633 63.2632 19.9633 88.4254 -21.5189 63.2632 -21.5189 -40.8118 GPRESSAVG: 2529400 -7.14476 19.9615 63.1102 20.3102 87.7131 -23.0892 64.5475 -21.0744 -41.6438 TIMING: 2529400 CPU: 7622.5, 0.00303304/step Wall: 7622.5, 0.00303304/step, 2.08151 hours remaining, 208.121094 MB of memory in use. ENERGY: 2529400 754.2385 2120.9255 1970.1637 106.4191 -206288.1427 18072.9175 0.0000 0.0000 34335.6021 -148927.8762 299.8614 -183263.4784 -148832.5667 300.2922 178.7241 207.2796 558475.3408 13.1096 12.9749 PRESSURE: 2529600 109.864 128.659 -11.5336 128.658 169.334 -190.849 -11.5341 -190.849 113.445 GPRESSURE: 2529600 182.23 144.482 6.64952 95.6855 161.353 -222.635 25.9576 -241.228 142.272 PRESSAVG: 2529600 2.91292 -5.19205 61.9833 -5.19215 -28.4274 -25.1451 61.9834 -25.1451 -33.5866 GPRESSAVG: 2529600 2.35681 -3.9042 59.8215 -3.56625 -27.2088 -24.0547 62.0942 -24.6273 -34.3788 TIMING: 2529600 CPU: 7623.1, 0.00304398/step Wall: 7623.1, 0.00304398/step, 2.08885 hours remaining, 208.121094 MB of memory in use. ENERGY: 2529600 781.8359 2069.1758 1931.0088 114.5011 -206156.6616 17997.9127 0.0000 0.0000 34377.4946 -148884.7328 300.2272 -183262.2273 -148786.7626 299.9574 130.8808 161.9515 557008.4958 -19.7003 -19.7436 PRESSURE: 2529800 143.194 36.4743 102.781 36.4739 -97.4716 -37.889 102.781 -37.8868 84.253 GPRESSURE: 2529800 192.118 23.9824 95.5882 34.3632 -68.8207 -35.2926 167.269 -45.1935 90.7831 PRESSAVG: 2529800 15.8979 -21.8191 45.9859 -21.819 -18.3549 33.5184 45.9859 33.5184 -30.3439 GPRESSAVG: 2529800 15.7705 -21.8006 47.8326 -22.6616 -18.7705 30.6041 45.7855 33.6478 -29.8873 TIMING: 2529800 CPU: 7623.71, 0.00303525/step Wall: 7623.71, 0.00303525/step, 2.08269 hours remaining, 208.121094 MB of memory in use. ENERGY: 2529800 762.7864 2120.2765 1929.2445 120.2219 -206122.0805 17852.0379 0.0000 0.0000 34507.5641 -148829.9493 301.3631 -183337.5134 -148736.0809 300.8248 43.3253 71.3602 558164.0913 -10.9336 -10.9624 PRESSURE: 2530000 -119.496 40.3002 69.1463 40.2995 -312.788 52.2044 69.1458 52.205 32.2706 GPRESSURE: 2530000 -71.3116 45.9712 30.455 73.9458 -239.433 67.4271 -65.1732 -53.7105 0.671983 PRESSAVG: 2530000 -51.8993 -28.4293 28.2827 -28.4293 57.1831 25.927 28.2827 25.9271 -5.54755 GPRESSAVG: 2530000 -51.2077 -30.4669 28.2799 -26.6406 56.7942 27.0679 29.0515 26.5687 -5.66621 TIMING: 2530000 CPU: 7624.31, 0.00300902/step Wall: 7624.31, 0.00300902/step, 2.06452 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: 2530000 786.6796 2131.7680 1936.9908 105.9877 -205843.0221 17682.2696 0.0000 0.0000 34340.7966 -148858.5298 299.9067 -183199.3264 -148764.2261 300.6865 -133.3377 -103.3576 558932.5955 -0.0879 -0.0266 PRESSURE: 2530200 42.1062 -57.8543 22.409 -57.8535 -122.72 -76.0088 22.409 -76.0073 311.395 GPRESSURE: 2530200 112.175 -137.706 60.8148 9.90038 -120.863 -67.6705 67.5105 -59.6331 337.565 PRESSAVG: 2530200 47.3175 -25.4092 -35.2858 -25.4092 -26.7648 -32.1273 -35.2858 -32.1274 9.54036 GPRESSAVG: 2530200 47.5399 -25.319 -35.0803 -27.194 -26.6006 -31.4826 -34.0834 -30.5225 9.26284 TIMING: 2530200 CPU: 7624.91, 0.0029966/step Wall: 7624.91, 0.0029966/step, 2.05583 hours remaining, 208.121094 MB of memory in use. ENERGY: 2530200 735.0624 2114.3576 1944.9803 113.7247 -206436.6196 18014.3368 0.0000 0.0000 34325.7219 -149188.4359 299.7751 -183514.1578 -149089.0246 300.0670 76.9269 109.6254 559015.3719 10.0310 10.0674 PRESSURE: 2530400 -65.3425 226.517 170.561 226.516 -171.848 66.4512 170.56 66.4517 -54.2382 GPRESSURE: 2530400 9.18743 196 247.511 233.367 -151.166 16.8348 94.9235 182.914 -46.0056 PRESSAVG: 2530400 -32.9959 26.4895 19.7799 26.4895 6.82892 -19.1299 19.78 -19.13 33.7933 GPRESSAVG: 2530400 -32.9105 28.332 20.394 28.0997 6.13685 -19.8215 18.5462 -21.2863 33.3395 TIMING: 2530400 CPU: 7625.51, 0.00297822/step Wall: 7625.51, 0.00297822/step, 2.04306 hours remaining, 208.121094 MB of memory in use. ENERGY: 2530400 800.0296 2068.8001 1916.0649 113.7917 -206060.1979 17821.6989 0.0000 0.0000 34017.6770 -149322.1358 297.0848 -183339.8128 -149225.2408 298.7579 -97.1429 -62.6614 558128.0758 2.5421 2.1886 PRESSURE: 2530600 84.0366 65.869 -229.841 65.869 170.073 -23.0838 -229.843 -23.0852 14.1209 GPRESSURE: 2530600 128.334 36.5143 -227.196 117.552 153.23 58.2465 -236.383 -74.7025 75.3419 PRESSAVG: 2530600 26.8046 40.5571 -16.9614 40.5572 31.536 -6.67245 -16.9614 -6.6724 -43.6367 GPRESSAVG: 2530600 26.767 39.3845 -18.808 39.8561 31.493 -6.07799 -16.2496 -5.7813 -43.0563 TIMING: 2530600 CPU: 7626.11, 0.00298747/step Wall: 7626.11, 0.00298747/step, 2.04924 hours remaining, 208.121094 MB of memory in use. ENERGY: 2530600 777.8482 2103.2642 1933.8612 107.4113 -206250.5811 17725.5798 0.0000 0.0000 34162.8116 -149439.8047 298.3523 -183602.6163 -149339.9284 298.3679 89.4102 118.9685 555935.8728 4.9013 5.0679 PRESSURE: 2530800 -112.098 -14.5367 -57.5805 -14.5359 -21.0834 84.9066 -57.5818 84.9072 -120.105 GPRESSURE: 2530800 -72.7379 -45.4984 -48.8642 -105.524 -26.1578 95.5103 -28.762 74.4884 -53.9738 PRESSAVG: 2530800 -88.8408 -40.7034 -46.1559 -40.7034 36.7898 -26.4626 -46.156 -26.4627 72.6372 GPRESSAVG: 2530800 -89.0936 -40.6009 -44.3226 -39.3166 38.1247 -25.4539 -45.4388 -27.3263 72.0427 TIMING: 2530800 CPU: 7626.7, 0.00297852/step Wall: 7626.7, 0.00297852/step, 2.04293 hours remaining, 208.121094 MB of memory in use. ENERGY: 2530800 782.0264 2088.0444 1930.3348 128.0146 -206246.7772 17755.0679 0.0000 0.0000 34424.7625 -149138.5267 300.6400 -183563.2892 -149047.9123 298.9228 -84.4286 -50.9565 557607.5264 6.8621 7.0246 PRESSURE: 2531000 -164.287 134.784 -17.554 134.783 -29.9646 94.42 -17.554 94.4208 108.481 GPRESSURE: 2531000 -107.073 171.513 -75.8433 46.0625 -8.30767 15.5506 -84.1652 206.809 141.717 PRESSAVG: 2531000 -30.9874 -38.5303 -52.6251 -38.5303 -44.8767 40.7991 -52.625 40.7991 75.8826 GPRESSAVG: 2531000 -32.0027 -38.7215 -55.2283 -42.3884 -46.5061 38.6578 -52.2473 41.265 78.0137 TIMING: 2531000 CPU: 7627.29, 0.00296617/step Wall: 7627.29, 0.00296617/step, 2.0343 hours remaining, 208.121094 MB of memory in use. ENERGY: 2531000 757.0260 2093.9201 1926.0076 108.5248 -205993.8563 17676.8130 0.0000 0.0000 34231.1160 -149200.4487 298.9489 -183431.5647 -149099.9928 299.5877 -28.5904 8.7787 556481.3574 0.0062 -0.1651 PRESSURE: 2531200 -48.1557 43.2723 113.892 43.2715 -232.279 123.214 113.893 123.214 -190.684 GPRESSURE: 2531200 -32.4088 -30.6525 127.594 116.625 -172.083 182.584 132.818 156.138 -171.559 PRESSAVG: 2531200 52.0177 -57.2157 -34.3187 -57.2158 11.5133 -12.8786 -34.3187 -12.8787 -41.8639 GPRESSAVG: 2531200 52.306 -57.075 -32.3986 -54.2875 11.8524 -11.019 -33.8739 -13.463 -42.6427 TIMING: 2531200 CPU: 7627.89, 0.00299267/step Wall: 7627.89, 0.00299267/step, 2.05231 hours remaining, 208.121094 MB of memory in use. ENERGY: 2531200 736.9505 2166.8443 1906.0239 111.8360 -206134.4797 17636.2105 0.0000 0.0000 34345.9244 -149230.6901 299.9515 -183576.6145 -149141.7348 299.5093 -157.0394 -125.3502 557162.0823 7.2224 7.1719 PRESSURE: 2531400 131.539 9.92946 -229.31 9.93064 336.228 -48.5248 -229.31 -48.5251 129.618 GPRESSURE: 2531400 120.621 64.4024 -233.164 59.1873 415.129 -152.116 -206.169 -41.5892 171.25 PRESSAVG: 2531400 15.4092 -16.2228 20.2993 -16.2228 22.5352 40.6445 20.2992 40.6444 -21.2023 GPRESSAVG: 2531400 15.405 -13.8131 20.1385 -16.6668 22.2495 38.092 18.7861 41.4657 -21.2838 TIMING: 2531400 CPU: 7628.49, 0.0030039/step Wall: 7628.49, 0.0030039/step, 2.05984 hours remaining, 208.121094 MB of memory in use. ENERGY: 2531400 727.5712 2113.9199 1908.6832 94.4853 -206640.2081 18223.8413 0.0000 0.0000 34371.5293 -149200.1778 300.1751 -183571.7071 -149098.5597 299.8917 199.1285 235.6666 556410.6956 5.5807 5.4569 PRESSURE: 2531600 -57.4653 -150.957 -56.5984 -150.956 -42.0817 6.56802 -56.5982 6.56705 -158.178 GPRESSURE: 2531600 19.638 -112.97 -70.947 -141.246 -28.6544 -52.1702 -70.8112 58.7715 -163.736 PRESSAVG: 2531600 51.0131 -0.613461 -13.6783 -0.613446 -15.5306 32.8781 -13.6784 32.878 -20.6606 GPRESSAVG: 2531600 51.7783 -1.82348 -12.9808 1.22922 -15.8499 34.45 -12.4067 33.4762 -21.0665 TIMING: 2531600 CPU: 7629.09, 0.00297606/step Wall: 7629.09, 0.00297606/step, 2.04059 hours remaining, 208.121094 MB of memory in use. ENERGY: 2531600 763.1094 2142.9064 1959.8201 115.3986 -206071.7134 17666.4773 0.0000 0.0000 34216.4380 -149207.5635 298.8207 -183424.0015 -149107.1201 299.7272 -85.9085 -57.5841 555933.6838 4.9406 4.9540 PRESSURE: 2531800 133.732 133.274 -76.6394 133.273 -214.166 8.42855 -76.639 8.42845 106.986 GPRESSURE: 2531800 156.195 51.2819 -20.6022 153.971 -188.933 -7.14723 -24.0528 20.5908 150.032 PRESSAVG: 2531800 59.0925 -8.95743 -51.6926 -8.95743 12.9554 38.7811 -51.6926 38.7811 -46.6013 GPRESSAVG: 2531800 59.659 -10.3153 -50.4291 -9.28363 12.2037 36.9736 -51.2881 38.9085 -47.4524 TIMING: 2531800 CPU: 7629.68, 0.00296081/step Wall: 7629.68, 0.00296081/step, 2.02996 hours remaining, 208.121094 MB of memory in use. ENERGY: 2531800 739.0126 2116.1289 1925.4111 111.6665 -205837.3743 17552.9502 0.0000 0.0000 34405.6725 -148986.5325 300.4733 -183392.2050 -148886.8840 300.2818 8.8504 39.0977 556084.4897 8.4822 8.1368 PRESSURE: 2532000 45.0043 -243.515 -5.11131 -243.514 -241.888 53.2558 -5.11107 53.2565 -128.846 GPRESSURE: 2532000 50.06 -238.129 -100.168 -220.499 -235.586 59.9475 -13.7221 -5.42846 -33.4154 PRESSAVG: 2532000 54.7887 -37.3444 13.0904 -37.3443 -21.579 1.24921 13.0904 1.24918 7.47809 GPRESSAVG: 2532000 53.9563 -37.2427 10.4391 -36.6391 -19.7795 4.88548 14.1312 -0.872494 6.80671 TIMING: 2532000 CPU: 7630.28, 0.00298325/step Wall: 7630.28, 0.00298325/step, 2.04518 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: 2532000 748.5914 2108.0247 1943.5671 118.6364 -205737.7401 17512.3450 0.0000 0.0000 34342.8176 -148963.7578 299.9244 -183306.5754 -148865.2152 300.6580 -108.5766 -72.9804 556772.6407 13.5626 13.6612 PRESSURE: 2532200 9.72964 -32.6348 64.6495 -32.6345 -48.6939 -23.2842 64.6478 -23.2869 143.402 GPRESSURE: 2532200 51.7665 -119.04 76.1762 -34.5208 27.634 -159.396 60.8019 46.4602 114.244 PRESSAVG: 2532200 -29.6263 -56.366 11.0274 -56.366 -31.0286 5.57029 11.0273 5.57027 67.9115 GPRESSAVG: 2532200 -28.6646 -55.3302 11.0573 -57.9752 -31.5264 0.882217 11.3489 8.80188 67.6782 TIMING: 2532200 CPU: 7630.87, 0.00298035/step Wall: 7630.87, 0.00298035/step, 2.04303 hours remaining, 208.121094 MB of memory in use. ENERGY: 2532200 762.3500 2137.5050 1922.9777 127.3201 -206160.2018 17871.9325 0.0000 0.0000 34296.8835 -149041.2331 299.5232 -183338.1165 -148948.0353 299.6703 34.8126 64.5480 556799.3449 2.4189 2.4958 LDB: ============= START OF LOAD BALANCING ============== 7634.39 LDB: ============== END OF LOAD BALANCING =============== 7634.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7634.39 LDB: ============= START OF LOAD BALANCING ============== 7634.69 LDB: Largest compute 4772 load 0.028834 is 24.4% of average load 0.118074 LDB: Average compute 0.001726 is 1.5% of average load 0.118074 LDB: TIME 7634.69 LOAD: AVG 0.118074 MAX 0.207292 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.688 MB LDB: TIME 7634.7 LOAD: AVG 0.118074 MAX 0.207292 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.797 MB LDB: TIME 7634.7 LOAD: AVG 0.118074 MAX 0.207292 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.797 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7634.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7634.7 PRESSURE: 2532400 60.2359 -38.3096 93.4821 -38.3109 46.3241 21.9979 93.4824 21.997 148.117 GPRESSURE: 2532400 52.3492 22.8941 78.4379 -83.2736 83.8943 -120.037 102.277 63.6593 199.873 PRESSAVG: 2532400 2.68765 15.1655 11.3793 15.1654 5.63375 -14.5 11.3792 -14.5 -1.03369 GPRESSAVG: 2532400 1.03945 13.3732 10.6398 16.7545 5.0342 -12.4593 11.0369 -15.6496 0.596063 TIMING: 2532400 CPU: 7631.48, 0.00305183/step Wall: 7631.48, 0.00305183/step, 2.09186 hours remaining, 208.906250 MB of memory in use. ENERGY: 2532400 728.4716 2154.1916 1953.4728 115.9682 -205945.2668 17829.5826 0.0000 0.0000 34262.1533 -148901.4268 299.2199 -183163.5801 -148800.8802 299.6371 84.8925 112.0390 558281.4930 2.4292 2.2232 PRESSURE: 2532600 257.161 -43.8393 84.0214 -43.841 -249.929 149.28 84.0208 149.281 -108.99 GPRESSURE: 2532600 236.018 17.5843 96.5379 -0.811656 -172.664 244.162 96.9966 109.019 -67.103 PRESSAVG: 2532600 50.356 -15.0571 21.5674 -15.0571 -30.7981 -2.94325 21.5674 -2.94331 2.24703 GPRESSAVG: 2532600 49.1751 -14.968 21.2034 -15.4692 -31.1533 -1.61559 20.915 -4.78654 3.60347 TIMING: 2532600 CPU: 7632.09, 0.00302395/step Wall: 7632.09, 0.00302395/step, 2.07258 hours remaining, 208.906250 MB of memory in use. ENERGY: 2532600 768.4855 2095.4247 1953.4899 117.5590 -206133.0931 17904.9805 0.0000 0.0000 34481.7617 -148811.3919 301.1378 -183293.1536 -148714.2859 300.0204 -33.9192 -1.2498 558295.8147 7.2683 7.2084 PRESSURE: 2532800 -73.1499 -46.8581 -94.3839 -46.8565 92.6995 9.75204 -94.3849 9.75198 -63.2431 GPRESSURE: 2532800 -6.76768 -72.3963 -92.8545 -40.1417 120.872 19.9823 -5.26947 43.0225 -65.4435 PRESSAVG: 2532800 21.4842 -9.10889 5.47938 -9.10883 -32.1264 -17.5338 5.47928 -17.5338 -10.1685 GPRESSAVG: 2532800 23.2472 -7.30551 6.558 -8.99731 -31.9977 -19.8031 5.69294 -15.4571 -11.6945 TIMING: 2532800 CPU: 7632.69, 0.00302045/step Wall: 7632.69, 0.00302045/step, 2.07002 hours remaining, 208.906250 MB of memory in use. ENERGY: 2532800 746.5938 2117.7639 1921.9628 108.5304 -205849.4502 17929.8540 0.0000 0.0000 34283.5638 -148741.1816 299.4069 -183024.7454 -148650.9098 299.7658 -14.5645 16.2202 559639.7538 -6.9369 -6.8150 PRESSURE: 2533000 36.491 -142.39 -21.5024 -142.388 62.7236 156.464 -21.5011 156.464 149.645 GPRESSURE: 2533000 45.6472 -70.1689 -3.78452 -123.837 63.0571 43.8809 -41.1709 214.894 243.909 PRESSAVG: 2533000 42.6495 -71.8045 -32.5627 -71.8044 -26.1922 49.3245 -32.5628 49.3245 2.24636 GPRESSAVG: 2533000 41.5611 -75.5128 -32.5716 -72.0329 -26.9395 51.5039 -31.3715 48.0988 3.70966 TIMING: 2533000 CPU: 7633.3, 0.00303745/step Wall: 7633.3, 0.00303745/step, 2.08149 hours remaining, 208.906250 MB of memory in use. ENERGY: 2533000 748.8279 2047.1586 1918.7370 110.2225 -205909.7335 17857.5579 0.0000 0.0000 34504.7876 -148722.4420 301.3389 -183227.2296 -148619.0809 300.1475 82.9531 117.5377 558012.7995 6.2346 6.1104 PRESSURE: 2533200 -98.8532 -12.7756 -208.39 -12.7754 104.63 -36.7507 -208.39 -36.75 146.224 GPRESSURE: 2533200 -80.8588 -76.0633 -113.943 6.05045 188.356 -82.9318 -245.074 -10.1813 129.889 PRESSAVG: 2533200 4.23273 -9.759 -4.18987 -9.75904 20.1442 52.878 -4.18967 52.8779 -1.9972 GPRESSAVG: 2533200 4.36799 -7.7843 -6.24562 -11.2037 21.5835 52.1025 -5.24145 53.5342 -4.04581 TIMING: 2533200 CPU: 7633.9, 0.00300782/step Wall: 7633.9, 0.00300782/step, 2.06102 hours remaining, 208.906250 MB of memory in use. ENERGY: 2533200 732.0235 2113.3139 1964.2695 104.1777 -205779.4133 17626.8017 0.0000 0.0000 34473.4178 -148765.4092 301.0649 -183238.8270 -148670.7939 300.0111 50.6668 79.1288 556817.3072 7.4599 7.3019 PRESSURE: 2533400 125.641 -142.091 -194.49 -142.091 41.7475 141.064 -194.488 141.063 93.0796 GPRESSURE: 2533400 188.863 -135.409 -179.282 -35.6779 110.368 112.614 -215.396 187.072 48.28 PRESSAVG: 2533400 -21.0309 15.9052 -10.6155 15.9052 44.5155 41.1583 -10.6154 41.1581 40.3132 GPRESSAVG: 2533400 -21.747 14.8355 -7.80361 15.9112 44.9493 42.1251 -11.0364 39.9026 40.1766 TIMING: 2533400 CPU: 7634.5, 0.00300139/step Wall: 7634.5, 0.00300139/step, 2.05645 hours remaining, 208.906250 MB of memory in use. ENERGY: 2533400 740.4670 2094.5254 1934.4816 109.7898 -205965.9077 17886.8121 0.0000 0.0000 34486.1688 -148713.6630 301.1763 -183199.8318 -148622.7677 300.8287 86.8227 115.8368 558291.6867 21.2659 21.1263 PRESSURE: 2533600 -161.894 -87.7684 -123.396 -87.7683 -261.088 -4.63584 -123.396 -4.63664 -171.865 GPRESSURE: 2533600 -229.556 -155.864 -134.076 -32.0225 -166.868 -12.7675 -129.673 -31.3122 -94.237 PRESSAVG: 2533600 -21.1581 -49.3495 16.5255 -49.3495 9.8684 12.2406 16.5255 12.2406 -30.4963 GPRESSAVG: 2533600 -21.9163 -46.2968 15.3643 -47.8602 8.8296 9.4581 16.2348 12.695 -28.4786 TIMING: 2533600 CPU: 7635.1, 0.0030074/step Wall: 7635.1, 0.0030074/step, 2.0604 hours remaining, 208.906250 MB of memory in use. ENERGY: 2533600 770.2550 2148.8260 1954.6035 121.6158 -205710.5581 17562.8033 0.0000 0.0000 34517.3247 -148635.1296 301.4484 -183152.4543 -148538.0676 301.5492 -198.2821 -163.5537 557740.9075 -13.9287 -13.8551 PRESSURE: 2533800 74.7017 -52.3497 -199.652 -52.349 -128.818 -49.0783 -199.654 -49.0776 -203.986 GPRESSURE: 2533800 71.0184 -58.1024 -240.911 -19.3252 -43.4985 -40.5589 -201.209 -9.02562 -171.931 PRESSAVG: 2533800 49.9448 26.8864 -33.3022 26.8866 33.352 58.2405 -33.3022 58.2406 -14.6606 GPRESSAVG: 2533800 50.8991 25.3192 -32.9004 26.8272 33.0634 60.1176 -33.0004 58.4475 -15.7902 TIMING: 2533800 CPU: 7635.71, 0.00302444/step Wall: 7635.71, 0.00302444/step, 2.07191 hours remaining, 208.906250 MB of memory in use. ENERGY: 2533800 743.7162 2154.7788 1922.0412 104.3411 -205866.4708 17621.7216 0.0000 0.0000 34468.4245 -148851.4474 301.0213 -183319.8719 -148750.6933 301.2845 -86.0341 -48.1370 557771.7236 22.8787 22.7241 PRESSURE: 2534000 -52.5974 9.47302 -71.4105 9.47241 -233.925 -129.713 -71.4102 -129.712 -124.977 GPRESSURE: 2534000 -43.5675 25.5215 -128.695 20.0225 -172.632 -176.687 -7.52957 -95.0162 -104.203 PRESSAVG: 2534000 6.2609 24.1929 -56.2519 24.1929 -35.61 -50.2917 -56.2518 -50.2918 35.9752 GPRESSAVG: 2534000 5.70253 24.4063 -54.9854 23.7499 -33.6633 -49.2688 -56.9811 -51.0596 34.1944 TIMING: 2534000 CPU: 7636.31, 0.00301403/step Wall: 7636.31, 0.00301403/step, 2.06461 hours remaining, 208.906250 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: 2534000 756.5799 2111.4935 1962.2440 111.8563 -205611.2502 17581.1327 0.0000 0.0000 34379.2179 -148708.7260 300.2423 -183087.9439 -148605.6377 300.5904 -137.1664 -106.8009 559248.2187 2.2087 2.0779 PRESSURE: 2534200 -230.316 92.6483 36.553 92.6487 -94.2324 -58.3391 36.5529 -58.34 -206.21 GPRESSURE: 2534200 -248.294 -2.90372 42.3538 120.357 -57.4237 -65.5499 60.3564 -55.2817 -116.122 PRESSAVG: 2534200 12.0312 12.1559 16.5759 12.1559 -0.169032 5.62804 16.5758 5.62805 -4.51461 GPRESSAVG: 2534200 11.8059 10.0678 15.3176 12.7077 -0.856386 5.20165 16.6822 6.1957 -3.6994 TIMING: 2534200 CPU: 7636.92, 0.00304232/step Wall: 7636.92, 0.00304232/step, 2.08382 hours remaining, 208.906250 MB of memory in use. ENERGY: 2534200 739.4798 2110.8147 1935.4234 104.7250 -205369.9270 17429.9135 0.0000 0.0000 34371.6965 -148677.8741 300.1766 -183049.5706 -148587.0039 301.1157 -176.9192 -140.6132 560060.6838 2.4492 2.4167 PRESSURE: 2534400 -107.5 -125.283 -127.914 -125.283 159.35 45.4457 -127.914 45.4466 -213.515 GPRESSURE: 2534400 -94.5588 -61.5148 9.32822 -87.0563 159.706 123.334 -169.723 10.5271 -145.757 PRESSAVG: 2534400 50.1859 -21.4381 15.4404 -21.4381 -25.4867 -14.1037 15.4405 -14.1037 -41.2152 GPRESSAVG: 2534400 52.0056 -19.3017 16.901 -20.7846 -27.1218 -13.8155 16.1517 -12.813 -40.8704 TIMING: 2534400 CPU: 7637.52, 0.00300647/step Wall: 7637.52, 0.00300647/step, 2.0591 hours remaining, 208.906250 MB of memory in use. ENERGY: 2534400 725.8472 2070.6914 1927.7506 117.8041 -205684.4408 17631.5793 0.0000 0.0000 34498.2841 -148712.4841 301.2821 -183210.7682 -148614.7894 301.0887 -53.8885 -26.8701 559136.6768 -5.5054 -5.3289 PRESSURE: 2534600 264.909 141.386 -100.396 141.384 180.732 7.84504 -100.397 7.84614 -57.5274 GPRESSURE: 2534600 367.338 89.6266 -168.043 27.6874 176.532 -28.1987 -5.03504 -44.6161 -56.6853 PRESSAVG: 2534600 32.9801 -12.1839 25.7898 -12.1838 23.9418 8.26586 25.7898 8.2657 -38.8084 GPRESSAVG: 2534600 31.0386 -13.8407 24.8427 -13.4094 26.1388 7.47485 23.9213 6.52182 -38.9372 TIMING: 2534600 CPU: 7638.12, 0.00298494/step Wall: 7638.12, 0.00298494/step, 2.04419 hours remaining, 208.906250 MB of memory in use. ENERGY: 2534600 700.1666 2117.4525 1947.9582 110.8760 -205450.9128 17784.8348 0.0000 0.0000 34188.6163 -148601.0083 298.5777 -182789.6247 -148508.5043 301.4535 129.3713 162.3948 558899.4416 6.0379 6.0801 PRESSURE: 2534800 -75.6575 -138.262 -193.765 -138.261 -33.7044 -292.744 -193.766 -292.745 -200.982 GPRESSURE: 2534800 -107.862 -158.908 -227.643 -108.542 44.7568 -237.543 -227.736 -288.116 -158.406 PRESSAVG: 2534800 31.9707 -59.1736 33.7682 -59.1736 43.5977 -16.7051 33.7683 -16.705 -38.2814 GPRESSAVG: 2534800 31.956 -57.2676 32.7181 -59.2184 41.3302 -15.8833 36.1372 -14.6141 -36.9669 TIMING: 2534800 CPU: 7638.71, 0.00297974/step Wall: 7638.71, 0.00297974/step, 2.04046 hours remaining, 208.906250 MB of memory in use. ENERGY: 2534800 731.4082 2096.3828 1935.1383 115.3095 -205206.2421 17415.7538 0.0000 0.0000 34338.7862 -148573.4634 299.8892 -182912.2496 -148477.7280 300.7201 -103.4478 -73.8371 559234.8231 12.4290 12.1064 PRESSURE: 2535000 -42.3356 5.19732 -68.4878 5.19595 -120.819 -96.0414 -68.4874 -96.0408 -155.195 GPRESSURE: 2535000 -17.3129 -2.86091 -128.355 15.5804 -78.4952 -129.246 18.5315 -123.028 -133.305 PRESSAVG: 2535000 15.8543 36.7207 -11.297 36.7208 14.5085 -100.566 -11.2969 -100.566 -63.8523 GPRESSAVG: 2535000 16.3919 35.0234 -13.4265 37.1891 15.5353 -98.4167 -12.9137 -105.676 -65.5671 TIMING: 2535000 CPU: 7639.31, 0.00299308/step Wall: 7639.31, 0.00299308/step, 2.04943 hours remaining, 208.906250 MB of memory in use. ENERGY: 2535000 725.5798 2146.2101 1922.6100 109.1312 -205589.0944 17605.8262 0.0000 0.0000 34386.8355 -148692.9015 300.3088 -183079.7370 -148606.8760 300.2199 -106.1164 -76.3711 560166.0044 -11.1632 -11.2133 PRESSURE: 2535200 87.6359 71.6161 95.4406 71.6152 4.64795 -137.746 95.4399 -137.745 -246.553 GPRESSURE: 2535200 130.072 38.9569 126.164 112.43 23.0706 -52.3114 88.1214 -165.747 -209.51 PRESSAVG: 2535200 34.9513 -18.1735 -7.30256 -18.1735 -28.7853 -30.1134 -7.30261 -30.1133 -45.52 GPRESSAVG: 2535200 35.2048 -17.4519 -4.28542 -18.6408 -29.2472 -33.6045 -7.34279 -26.8178 -44.7139 TIMING: 2535200 CPU: 7639.91, 0.00300053/step Wall: 7639.91, 0.00300053/step, 2.05437 hours remaining, 208.906250 MB of memory in use. ENERGY: 2535200 760.5124 2094.5005 1933.3036 123.7613 -205837.4681 17716.8069 0.0000 0.0000 34466.6516 -148741.9317 301.0058 -183208.5834 -148652.6020 300.2692 -51.4230 -18.7891 558603.6469 -13.1180 -12.9187 PRESSURE: 2535400 18.0121 37.1192 -19.0633 37.1194 113.552 -47.2876 -19.0632 -47.2874 -112.472 GPRESSURE: 2535400 27.9519 96.5218 2.87897 -40.8876 162.162 -76.7387 -44.8087 -31.0931 -80.5493 PRESSAVG: 2535400 9.70203 -15.3112 -10.5312 -15.3114 50.2026 -27.644 -10.5312 -27.6439 -3.46178 GPRESSAVG: 2535400 9.7455 -16.0089 -12.7241 -15.0332 50.6658 -27.9099 -9.40253 -26.2865 -4.25716 TIMING: 2535400 CPU: 7640.52, 0.00303778/step Wall: 7640.52, 0.00303778/step, 2.0797 hours remaining, 208.906250 MB of memory in use. ENERGY: 2535400 726.2133 2063.5720 1946.2317 108.7220 -205778.6703 17704.3884 0.0000 0.0000 34547.3411 -148682.2018 301.7105 -183229.5429 -148587.4878 300.9902 6.3642 36.5216 558077.3963 18.8143 18.7180 PRESSURE: 2535600 -116.64 21.4218 95.7359 21.4217 191.092 58.7229 95.7364 58.7228 -154.251 GPRESSURE: 2535600 -65.6765 5.77397 38.6763 54.6317 208.675 41.8853 54.6394 131.901 -129.014 PRESSAVG: 2535600 8.72796 -3.1183 -61.51 -3.11831 5.00011 1.24523 -61.51 1.24519 -41.8881 GPRESSAVG: 2535600 8.79989 -1.19438 -60.8844 -3.03896 3.83143 0.406366 -60.6511 1.29973 -40.5925 TIMING: 2535600 CPU: 7641.12, 0.00299657/step Wall: 7641.12, 0.00299657/step, 2.05132 hours remaining, 208.906250 MB of memory in use. ENERGY: 2535600 707.4092 2150.3840 1925.7859 107.0671 -205751.0358 17694.8901 0.0000 0.0000 34215.2570 -148950.2426 298.8103 -183165.4996 -148855.8535 300.0798 -26.5993 4.6615 559331.1913 -9.3867 -9.3204 PRESSURE: 2535800 257.536 71.7303 -64.0898 71.7309 45.1907 80.3129 -64.0904 80.3141 91.9986 GPRESSURE: 2535800 351.748 40.8795 -60.1713 95.2555 74.3092 108.466 -64.1394 94.9909 50.3574 PRESSAVG: 2535800 -57.9508 32.6989 -48.3652 32.6989 52.8125 12.6938 -48.3652 12.6939 1.2391 GPRESSAVG: 2535800 -58.5811 29.0768 -48.5699 35.6962 53.8837 15.6102 -49.9779 11.4954 0.962356 TIMING: 2535800 CPU: 7641.72, 0.00299187/step Wall: 7641.72, 0.00299187/step, 2.04793 hours remaining, 208.906250 MB of memory in use. ENERGY: 2535800 722.3523 2123.0912 1933.0221 122.6844 -206056.8796 17926.6380 0.0000 0.0000 34189.2935 -149039.7982 298.5836 -183229.0916 -148947.6739 300.8885 131.5750 158.8050 557956.5677 -1.2997 -1.2450 PRESSURE: 2536000 -55.4413 65.983 119.587 65.9834 -70.0192 -18.9829 119.586 -18.9828 147.267 GPRESSURE: 2536000 -28.3451 135.076 111.104 52.6013 -104.137 19.9051 80.4192 -48.8583 247.091 PRESSAVG: 2536000 5.72797 29.6761 7.62319 29.6761 -21.5754 -41.6194 7.62328 -41.6194 3.93488 GPRESSAVG: 2536000 7.09807 34.2339 10.1052 25.2951 -22.5996 -44.7655 6.27394 -40.8714 4.3283 TIMING: 2536000 CPU: 7642.31, 0.00297672/step Wall: 7642.31, 0.00297672/step, 2.0374 hours remaining, 208.906250 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: 2536000 750.5729 2079.4756 1946.5104 97.3363 -206014.6368 17993.9492 0.0000 0.0000 34067.4788 -149079.3137 297.5198 -183146.7925 -148992.4791 299.6237 7.2687 38.2028 558270.8677 -3.9709 -3.7244 PRESSURE: 2536200 89.6058 58.8615 -66.0359 58.8618 -4.6423 -92.7872 -66.0348 -92.7869 -287.535 GPRESSURE: 2536200 98.3179 21.6982 -104.154 20.1891 -7.40973 -77.2231 -52.6342 -50.3491 -182.912 PRESSAVG: 2536200 16.3625 -17.4209 -36.7509 -17.4209 24.8092 34.7898 -36.7507 34.7898 3.96418 GPRESSAVG: 2536200 15.172 -20.1948 -38.4207 -15.7777 25.6485 34.2482 -33.7309 35.3642 4.88859 TIMING: 2536200 CPU: 7642.91, 0.00296157/step Wall: 7642.91, 0.00296157/step, 2.02687 hours remaining, 208.906250 MB of memory in use. ENERGY: 2536200 767.8837 2092.1345 1943.1506 116.0266 -205864.3894 17584.1876 0.0000 0.0000 34236.9160 -149124.0904 298.9995 -183361.0064 -149021.1459 299.3944 -67.5240 -30.6680 556893.8662 15.0453 15.2364 LDB: ============= START OF LOAD BALANCING ============== 7646.42 LDB: ============== END OF LOAD BALANCING =============== 7646.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7646.42 LDB: ============= START OF LOAD BALANCING ============== 7646.72 LDB: Largest compute 4772 load 0.026915 is 22.8% of average load 0.118058 LDB: Average compute 0.001722 is 1.5% of average load 0.118058 LDB: TIME 7646.72 LOAD: AVG 0.118058 MAX 0.206922 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 7646.72 LOAD: AVG 0.118058 MAX 0.206922 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: TIME 7646.72 LOAD: AVG 0.118058 MAX 0.206922 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: ============== END OF LOAD BALANCING =============== 7646.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7646.73 PRESSURE: 2536400 97.4353 173.74 62.2039 173.739 -307.602 50.4082 62.2022 50.4093 -102.323 GPRESSURE: 2536400 102.279 182.5 35.5251 138.931 -227.884 83.8026 89.756 62.4676 -88.5457 PRESSAVG: 2536400 0.568026 21.1995 -42.1053 21.1994 41.7535 3.69298 -42.1054 3.69301 -70.8821 GPRESSAVG: 2536400 0.329276 21.2783 -42.7715 23.2789 42.4044 6.21377 -43.7907 2.98197 -71.7717 TIMING: 2536400 CPU: 7643.51, 0.0030351/step Wall: 7643.51, 0.0030351/step, 2.07702 hours remaining, 209.574219 MB of memory in use. ENERGY: 2536400 727.4861 2127.5855 1920.9946 120.3462 -205796.0778 17494.2779 0.0000 0.0000 34451.4833 -148953.9042 300.8734 -183405.3875 -148861.7169 299.3538 -104.1632 -71.3833 557883.0670 -9.5202 -9.6794 PRESSURE: 2536600 -290.781 60.8143 -71.2975 60.8147 -297.026 106.82 -71.297 106.82 -57.4477 GPRESSURE: 2536600 -299.471 42.775 -26.4597 74.9585 -225.587 162.544 -196.085 76.356 -20.0778 PRESSAVG: 2536600 47.4392 43.931 -10.3694 43.931 -18.1972 47.3508 -10.3694 47.3508 -36.3228 GPRESSAVG: 2536600 48.0359 44.8976 -9.92681 40.3702 -17.9798 48.4623 -8.4169 46.1587 -37.1747 TIMING: 2536600 CPU: 7644.12, 0.00302435/step Wall: 7644.12, 0.00302435/step, 2.0695 hours remaining, 209.644531 MB of memory in use. ENERGY: 2536600 767.8568 2067.0408 1954.3900 119.2020 -205700.1009 17441.8715 0.0000 0.0000 34370.7055 -148979.0343 300.1679 -183349.7398 -148882.7525 299.8124 -215.0852 -181.7121 558332.3046 -2.3603 -2.3729 PRESSURE: 2536800 -114.846 -26.07 95.6124 -26.0693 -142.743 -90.2586 95.613 -90.2586 -58.3922 GPRESSURE: 2536800 -74.7725 -2.25436 55.1561 -53.7747 -112.294 -130.183 113.612 -129.534 -27.6336 PRESSAVG: 2536800 -32.7965 54.2174 -32.6633 54.2174 29.4508 4.22083 -32.6632 4.22088 8.99583 GPRESSAVG: 2536800 -34.147 54.9227 -33.136 55.5836 29.3932 1.81235 -34.828 4.04873 10.3912 TIMING: 2536800 CPU: 7644.73, 0.00303792/step Wall: 7644.73, 0.00303792/step, 2.07861 hours remaining, 209.644531 MB of memory in use. ENERGY: 2536800 756.7736 2051.9034 1913.1038 113.2754 -206165.6655 17772.4201 0.0000 0.0000 34327.0830 -149231.1063 299.7870 -183558.1893 -149135.4766 299.6351 -105.3270 -71.5666 558450.6560 1.8834 1.8791 PRESSURE: 2537000 147.084 71.5428 -134.157 71.5425 219.319 -26.1066 -134.158 -26.1046 -102.961 GPRESSURE: 2537000 161.266 45.9905 -178.608 142.042 286.495 -81.2101 -82.1688 -54.7765 -76.5608 PRESSAVG: 2537000 46.8915 38.1366 -17.435 38.1366 1.93996 -38.2169 -17.435 -38.217 -42.2385 GPRESSAVG: 2537000 48.1037 36.6259 -18.0457 39.0146 1.51438 -37.1331 -15.3322 -39.8018 -43.2649 TIMING: 2537000 CPU: 7645.33, 0.00300666/step Wall: 7645.33, 0.00300666/step, 2.05706 hours remaining, 209.644531 MB of memory in use. ENERGY: 2537000 745.4607 2088.5167 1961.7512 97.8474 -206223.7310 17968.7246 0.0000 0.0000 34159.2122 -149202.2182 298.3209 -183361.4304 -149102.4543 299.8892 87.8138 123.7331 556654.3468 2.1977 2.1177 PRESSURE: 2537200 43.9297 82.5708 155.622 82.5702 -73.5104 59.9725 155.622 59.9711 -9.56263 GPRESSURE: 2537200 60.217 92.2126 137.015 -4.36408 -36.9548 -41.4979 210.506 156.835 42.459 PRESSAVG: 2537200 70.1097 -0.116917 20.5563 -0.116933 49.0569 -51.8973 20.5563 -51.8974 -55.1142 GPRESSAVG: 2537200 68.8137 0.885521 20.9214 -1.84629 49.2013 -53.2326 20.3945 -49.8925 -54.3218 TIMING: 2537200 CPU: 7645.93, 0.00300166/step Wall: 7645.93, 0.00300166/step, 2.05347 hours remaining, 209.644531 MB of memory in use. ENERGY: 2537200 749.5846 2067.2003 1948.8335 116.2427 -205985.6491 17771.6052 0.0000 0.0000 34133.2275 -149198.9553 298.0940 -183332.1828 -149108.8712 299.2754 -13.0478 21.9071 557855.8769 21.3508 21.2311 PRESSURE: 2537400 147.464 1.30102 11.0976 1.2994 14.3343 70.426 11.0982 70.4256 -18.9477 GPRESSURE: 2537400 142.089 -53.2209 -5.56686 -40.3485 68.9507 60.2216 -12.6869 57.9751 41.2182 PRESSAVG: 2537400 -29.2304 3.00831 -11.9599 3.00832 121.978 31.591 -11.9598 31.5911 -51.2462 GPRESSAVG: 2537400 -28.9484 2.6869 -11.3023 2.22798 122.354 32.0603 -13.3228 30.5727 -52.747 TIMING: 2537400 CPU: 7646.53, 0.00300964/step Wall: 7646.53, 0.00300964/step, 2.05876 hours remaining, 209.644531 MB of memory in use. ENERGY: 2537400 766.1880 2079.5004 1962.9941 117.4064 -205994.0594 17857.0154 0.0000 0.0000 34164.5524 -149046.4027 298.3675 -183210.9551 -148950.8845 299.4279 47.6170 84.0860 557995.2384 13.8337 13.5527 PRESSURE: 2537600 -171.887 -34.0026 36.0065 -34.0024 -216.847 -25.7625 36.0064 -25.7634 -133.309 GPRESSURE: 2537600 -117.174 35.121 25.9444 -49.6821 -155.666 -69.9293 -31.4547 -28.6198 -147.238 PRESSAVG: 2537600 47.3995 21.9698 24.1825 21.9699 -44.1409 -54.2722 24.1825 -54.2721 -12.7931 GPRESSAVG: 2537600 47.5532 21.7791 24.8156 22.4331 -44.7785 -52.0159 22.8488 -55.1858 -12.2076 TIMING: 2537600 CPU: 7647.13, 0.00299271/step Wall: 7647.13, 0.00299271/step, 2.04701 hours remaining, 209.644531 MB of memory in use. ENERGY: 2537600 758.3324 2060.3791 1941.7627 125.9242 -205711.4542 17592.6893 0.0000 0.0000 34190.4398 -149041.9266 298.5936 -183232.3665 -148939.0813 299.2254 -174.0144 -140.0259 558707.3628 -3.1782 -3.1443 PRESSURE: 2537800 -5.60946 106.424 -28.6674 106.423 55.1439 -64.5491 -28.6677 -64.5495 139.842 GPRESSURE: 2537800 37.905 180.542 -35.5697 54.9716 62.1289 -42.8476 -2.49717 -145.889 184.956 PRESSAVG: 2537800 -50.9208 -6.40914 10.2912 -6.40919 54.4031 42.5663 10.2911 42.5663 -26.663 GPRESSAVG: 2537800 -50.5129 -6.72759 12.4724 -5.10882 54.1509 40.6706 8.64329 43.4421 -26.4125 TIMING: 2537800 CPU: 7647.73, 0.00300817/step Wall: 7647.73, 0.00300817/step, 2.05742 hours remaining, 209.644531 MB of memory in use. ENERGY: 2537800 777.6994 2108.5056 1950.1465 118.4818 -206058.4314 17876.6925 0.0000 0.0000 34139.3844 -149087.5212 298.1477 -183226.9056 -148984.7885 299.6827 63.1254 94.9967 558686.4585 -7.7269 -7.5915 PRESSURE: 2538000 80.0784 -6.403 121.354 -6.40253 236.42 -0.311067 121.354 -0.310908 12.9844 GPRESSURE: 2538000 125.144 -129.642 73.4516 95.9078 256.814 49.9676 116.305 -60.7432 54.1188 PRESSAVG: 2538000 -2.41105 30.8258 18.1893 30.8259 24.5444 -29.2235 18.1893 -29.2235 -1.38994 GPRESSAVG: 2538000 -2.8861 31.1617 16.6935 30.1304 25.2103 -29.7258 20.9788 -28.379 -1.59463 TIMING: 2538000 CPU: 7648.34, 0.00302918/step Wall: 7648.34, 0.00302918/step, 2.07162 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: 2538000 728.3689 2059.0666 1922.0341 109.1017 -205893.7742 17740.1703 0.0000 0.0000 34250.3902 -149084.6424 299.1172 -183335.0326 -148989.1251 299.2913 109.8275 145.3591 558062.0719 6.9145 6.9099 PRESSURE: 2538200 -5.3218 40.3546 -12.8325 40.3555 109.072 26.763 -12.8336 26.7636 -70.0762 GPRESSURE: 2538200 52.1947 38.765 -46.3984 8.93864 183.448 9.99244 78.3834 74.8224 -101.632 PRESSAVG: 2538200 -33.0667 2.91181 -13.7759 2.91181 42.3145 24.723 -13.776 24.7229 -5.89928 GPRESSAVG: 2538200 -32.2395 3.56767 -13.9426 3.91919 43.1969 25.8601 -13.681 22.5853 -7.87982 TIMING: 2538200 CPU: 7648.94, 0.00302253/step Wall: 7648.94, 0.00302253/step, 2.0669 hours remaining, 209.644531 MB of memory in use. ENERGY: 2538200 730.5828 2123.5515 1956.6221 121.2306 -205879.2101 17675.9776 0.0000 0.0000 34421.4982 -148849.7474 300.6115 -183271.2455 -148759.4498 299.6783 11.2247 44.6701 559540.7009 1.1162 1.0258 PRESSURE: 2538400 -6.30161 37.7655 173.04 37.7664 -81.9003 159.81 173.039 159.81 -81.6112 GPRESSURE: 2538400 9.73684 67.0643 145.076 58.4439 -50.5426 109.335 208.829 148.783 -37.9304 PRESSAVG: 2538400 -25.1915 -43.0527 10.4897 -43.0527 39.7029 12.7644 10.4897 12.7643 -13.2853 GPRESSAVG: 2538400 -26.282 -41.0722 10.881 -46.54 39.5862 11.0282 9.42078 14.2188 -12.9887 TIMING: 2538400 CPU: 7649.54, 0.00301624/step Wall: 7649.54, 0.00301624/step, 2.06243 hours remaining, 209.644531 MB of memory in use. ENERGY: 2538400 720.3134 2094.5782 1974.3687 102.5838 -206093.6647 17725.4866 0.0000 0.0000 34650.6232 -148825.7109 302.6125 -183476.3341 -148724.3535 300.0363 -56.6044 -26.2454 558002.0832 0.4087 0.1052 PRESSURE: 2538600 166.364 19.79 336.677 19.789 52.9939 -214.608 336.678 -214.606 -50.5852 GPRESSURE: 2538600 153.035 -15.0484 338.395 -90.6372 63.8067 -209.782 353.865 -196.748 42.0829 PRESSAVG: 2538600 19.0545 -48.5218 75.3412 -48.5217 49.5193 -26.7815 75.3413 -26.7815 -21.9494 GPRESSAVG: 2538600 18.0926 -52.6064 74.299 -45.2317 47.995 -29.3885 77.6025 -23.8074 -20.2813 TIMING: 2538600 CPU: 7650.15, 0.00302055/step Wall: 7650.15, 0.00302055/step, 2.06522 hours remaining, 209.644531 MB of memory in use. ENERGY: 2538600 749.7360 2083.5701 1945.1883 109.2332 -206028.7397 17825.4099 0.0000 0.0000 34451.0722 -148864.5299 300.8698 -183315.6022 -148765.9757 300.6043 56.2577 86.3080 559029.2444 15.5415 15.2688 PRESSURE: 2538800 169.383 -49.17 -44.4796 -49.1705 138.821 155.502 -44.4798 155.501 235.582 GPRESSURE: 2538800 183.89 -21.0503 -10.0097 -2.07779 163.672 108.122 -41.5487 181.583 291.462 PRESSAVG: 2538800 47.7766 -12.1857 45.3642 -12.1857 30.036 -4.4063 45.3641 -4.40622 -62.013 GPRESSAVG: 2538800 46.9193 -11.0448 47.2225 -11.0144 30.2541 -0.844796 44.2544 -6.52192 -61.715 TIMING: 2538800 CPU: 7650.75, 0.00301679/step Wall: 7650.75, 0.00301679/step, 2.06248 hours remaining, 209.644531 MB of memory in use. ENERGY: 2538800 749.1618 2133.5584 1951.6699 116.8924 -206632.0392 18153.3546 0.0000 0.0000 34608.1673 -148919.2347 302.2417 -183527.4020 -148822.6247 300.8585 181.2620 213.0078 557351.3094 5.2665 5.1528 PRESSURE: 2539000 -194.553 102.96 90.1985 102.961 200.305 112.801 90.1999 112.801 -102.658 GPRESSURE: 2539000 -128.638 81.2524 32.2625 78.8765 242.156 -37.4664 155.098 162.923 -113.692 PRESSAVG: 2539000 23.2387 22.9154 -5.87235 22.9155 63.4488 -8.77946 -5.87227 -8.77938 -28.2731 GPRESSAVG: 2539000 24.7805 22.9778 -8.44345 19.2963 63.4752 -10.6506 -6.35858 -9.66448 -29.7116 TIMING: 2539000 CPU: 7651.35, 0.00301632/step Wall: 7651.35, 0.00301632/step, 2.06199 hours remaining, 209.644531 MB of memory in use. ENERGY: 2539000 742.6020 2135.9591 1944.2860 117.4524 -205974.6899 17782.3057 0.0000 0.0000 34471.0794 -148781.0053 301.0445 -183252.0847 -148685.1551 300.8315 -32.3022 -0.0581 556625.8442 19.4714 19.5147 PRESSURE: 2539200 -89.0421 101.2 225.675 101.2 -118.989 -57.0572 225.675 -57.0588 -18.1745 GPRESSURE: 2539200 -48.1818 180.708 144.433 -63.0995 -118.644 -96.6282 206.876 -41.0716 32.6072 PRESSAVG: 2539200 -2.03801 -19.7351 6.06246 -19.7352 64.2064 0.131285 6.06228 0.131166 -86.6022 GPRESSAVG: 2539200 -1.85335 -19.2567 6.28605 -17.827 63.3471 4.16201 6.70685 -1.75718 -86.5693 TIMING: 2539200 CPU: 7651.96, 0.00302818/step Wall: 7651.96, 0.00302818/step, 2.06993 hours remaining, 209.644531 MB of memory in use. ENERGY: 2539200 757.8473 2053.9497 1919.8732 112.7297 -206042.0439 17783.7316 0.0000 0.0000 34433.1064 -148980.8059 300.7129 -183413.9124 -148880.4916 300.0167 -75.4018 -44.7395 557521.2695 -8.1446 -8.3585 PRESSURE: 2539400 -75.9588 54.9433 109.978 54.9435 -77.9061 36.0614 109.978 36.061 326.74 GPRESSURE: 2539400 -18.4696 104.64 97.5826 144.75 -69.3053 58.2811 122.643 72.2553 360.968 PRESSAVG: 2539400 64.261 6.79572 25.4181 6.79579 12.6252 46.649 25.418 46.6489 -78.9076 GPRESSAVG: 2539400 64.13 7.47444 25.584 6.86826 11.9367 46.1138 25.2835 47.5477 -77.8879 TIMING: 2539400 CPU: 7652.57, 0.00303572/step Wall: 7652.57, 0.00303572/step, 2.07492 hours remaining, 209.847656 MB of memory in use. ENERGY: 2539400 719.8324 2051.3907 1950.4377 117.8305 -206003.3483 17838.2314 0.0000 0.0000 34467.4297 -148858.1960 301.0126 -183325.6256 -148760.2462 299.7725 57.6251 91.0644 557145.6688 -0.6738 -0.6071 PRESSURE: 2539600 154.841 96.4164 124.986 96.4155 -72.1545 17.8002 124.986 17.8007 -155.562 GPRESSURE: 2539600 161.569 163.792 111.762 83.6458 -38.8963 -46.0541 132.83 45.7754 -97.7739 PRESSAVG: 2539600 43.3566 6.19663 -14.0528 6.19666 -71.3088 98.8901 -14.0528 98.8901 60.0237 GPRESSAVG: 2539600 42.5613 4.05732 -13.5464 5.02888 -70.0524 96.1695 -13.796 99.9461 59.9512 TIMING: 2539600 CPU: 7653.18, 0.00305294/step Wall: 7653.18, 0.00305294/step, 2.08652 hours remaining, 209.847656 MB of memory in use. ENERGY: 2539600 744.2075 2094.0175 1899.5448 106.6307 -205750.1427 17679.6595 0.0000 0.0000 34445.7797 -148780.3031 300.8236 -183226.0828 -148692.9393 300.2062 -24.2921 8.2995 557594.4553 10.6905 10.8200 PRESSURE: 2539800 -145.001 -127.265 95.655 -127.264 -55.6588 61.5544 95.6548 61.5534 -123.007 GPRESSURE: 2539800 -102.85 -165.768 176.516 -43.5316 7.89435 115.817 4.89833 14.4073 -120.793 PRESSAVG: 2539800 60.9559 -7.86451 -0.740246 -7.86454 8.40348 32.7933 -0.740211 32.7931 -58.3137 GPRESSAVG: 2539800 62.3511 -8.37784 0.241304 -5.72329 7.70992 34.7001 -0.204265 33.6048 -58.754 TIMING: 2539800 CPU: 7653.79, 0.00308563/step Wall: 7653.79, 0.00308563/step, 2.10868 hours remaining, 209.847656 MB of memory in use. ENERGY: 2539800 743.5787 2084.6333 1935.9630 112.9006 -205879.8280 17562.9884 0.0000 0.0000 34635.1062 -148804.6578 302.4770 -183439.7640 -148710.3068 300.9189 -107.8892 -71.9160 557582.8589 3.6819 3.7690 PRESSURE: 2540000 185.911 -75.0284 98.9856 -75.0285 88.587 -145.936 98.9849 -145.937 -178.196 GPRESSURE: 2540000 221.701 -123.774 38.6938 -60.7078 109.002 -129.456 59.3495 -141.115 -149.114 PRESSAVG: 2540000 -51.7406 6.89979 3.28733 6.89973 59.9031 -40.8716 3.28727 -40.8716 -2.06479 GPRESSAVG: 2540000 -53.0805 5.45735 1.54207 5.29868 60.3833 -42.1592 2.61106 -42.3211 -2.23728 TIMING: 2540000 CPU: 7654.41, 0.00307174/step Wall: 7654.41, 0.00307174/step, 2.09902 hours remaining, 209.847656 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: 2540000 765.7281 2075.6189 1951.9988 113.7134 -205882.1076 17754.2213 0.0000 0.0000 34342.1168 -148878.7103 299.9182 -183220.8271 -148777.2804 300.5719 32.1007 60.5297 557132.5514 2.0326 1.6885 PRESSURE: 2540200 -26.0791 -72.6181 27.281 -72.6181 -58.4784 -59.7122 27.2802 -59.7127 -23.2957 GPRESSURE: 2540200 16.3273 -96.3066 -45.1809 -68.3695 32.15 -29.8444 99.8688 -94.1487 -59.5503 PRESSAVG: 2540200 33.7244 -51.4026 17.9894 -51.4025 61.3604 -22.3465 17.9893 -22.3464 -94.2244 GPRESSAVG: 2540200 34.339 -47.5533 17.813 -50.9194 61.4761 -22.909 19.7171 -19.5977 -94.9868 TIMING: 2540200 CPU: 7655.02, 0.00304295/step Wall: 7655.02, 0.00304295/step, 2.07918 hours remaining, 209.847656 MB of memory in use. ENERGY: 2540200 718.9199 2085.3130 1927.2375 109.1192 -205737.3162 17643.6853 0.0000 0.0000 34334.4383 -148918.6030 299.8512 -183253.0412 -148822.6039 300.1817 -35.9511 -3.6910 558193.9254 0.2868 0.2761 LDB: ============= START OF LOAD BALANCING ============== 7658.54 LDB: ============== END OF LOAD BALANCING =============== 7658.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7658.54 LDB: ============= START OF LOAD BALANCING ============== 7658.84 LDB: Largest compute 4800 load 0.025996 is 22.0% of average load 0.118009 LDB: Average compute 0.001721 is 1.5% of average load 0.118009 LDB: TIME 7658.85 LOAD: AVG 0.118009 MAX 0.211959 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.602 MB LDB: TIME 7658.85 LOAD: AVG 0.118009 MAX 0.211959 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.836 MB LDB: TIME 7658.85 LOAD: AVG 0.118009 MAX 0.211959 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.836 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7658.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7658.85 PRESSURE: 2540400 -17.4646 30.879 101.74 30.8793 0.676613 34.6257 101.742 34.6258 10.0254 GPRESSURE: 2540400 3.0424 40.3339 152.091 24.258 113.15 8.66444 45.5671 0.154256 -24.0785 PRESSAVG: 2540400 -42.3946 20.5384 -11.1055 20.5384 26.5225 -61.0525 -11.1054 -61.0526 8.46634 GPRESSAVG: 2540400 -42.1393 18.892 -9.77163 20.2691 26.3261 -58.3755 -14.0795 -64.2521 8.28683 TIMING: 2540400 CPU: 7655.64, 0.00309492/step Wall: 7655.64, 0.00309492/step, 2.11452 hours remaining, 210.742188 MB of memory in use. ENERGY: 2540400 736.5304 2083.2871 1921.9172 107.8674 -206065.7314 17760.5887 0.0000 0.0000 34491.0447 -148964.4959 301.2189 -183455.5406 -148862.9113 300.1335 -2.2542 30.7046 557288.5737 -2.4686 -2.5088 PRESSURE: 2540600 -241.329 119.025 89.1452 119.025 -62.9697 -67.1801 89.1457 -67.1815 -182.696 GPRESSURE: 2540600 -226.134 158.764 137.095 47.6732 -39.5715 -68.3583 23.8964 -16.9471 -130.346 PRESSAVG: 2540600 -57.0725 44.0045 4.5205 44.0046 92.158 -29.7357 4.52055 -29.7357 -8.7729 GPRESSAVG: 2540600 -57.6193 42.6995 3.52655 44.1777 90.9372 -29.8794 6.68439 -29.2564 -7.62468 TIMING: 2540600 CPU: 7656.24, 0.00303145/step Wall: 7656.24, 0.00303145/step, 2.07099 hours remaining, 210.812500 MB of memory in use. ENERGY: 2540600 739.3936 2077.6606 1942.5693 103.9908 -206044.0263 17584.6959 0.0000 0.0000 34393.4470 -149202.2690 300.3665 -183595.7160 -149103.0178 299.8279 -162.3317 -132.0172 558245.4087 8.7709 8.5644 PRESSURE: 2540800 189.587 176.283 5.06634 176.282 -23.5512 -78.8056 5.06649 -78.8068 -136.364 GPRESSURE: 2540800 158.833 119.204 21.7711 265.435 -5.25366 -59.4656 -52.5041 -138.256 -23.7443 PRESSAVG: 2540800 -23.474 46.1572 -7.50692 46.1571 -3.4417 -18.1661 -7.50686 -18.1662 47.3064 GPRESSAVG: 2540800 -22.8938 45.8779 -8.96855 47.3267 -2.24788 -20.545 -7.72198 -17.5055 46.1029 TIMING: 2540800 CPU: 7656.84, 0.00301303/step Wall: 7656.84, 0.00301303/step, 2.05824 hours remaining, 210.812500 MB of memory in use. ENERGY: 2540800 743.0016 2038.6110 1950.1273 116.3354 -206078.1738 17909.9364 0.0000 0.0000 34077.8295 -149242.3327 297.6102 -183320.1622 -149148.0870 299.2683 9.8905 43.2784 557248.5968 6.7969 6.9870 PRESSURE: 2541000 43.1284 -12.6538 -39.4912 -12.6542 485.627 -57.0748 -39.4917 -57.0741 10.3245 GPRESSURE: 2541000 73.0675 10.7117 -121.163 -42.8404 481.488 -64.9681 -14.0417 40.8089 85.906 PRESSAVG: 2541000 23.0454 37.2782 18.0508 37.2781 -47.0151 -34.7187 18.0509 -34.7188 22.1945 GPRESSAVG: 2541000 22.9392 36.9512 20.4305 37.3071 -46.9181 -35.0225 17.3056 -34.7248 22.4358 TIMING: 2541000 CPU: 7657.45, 0.00300307/step Wall: 7657.45, 0.00300307/step, 2.05127 hours remaining, 210.812500 MB of memory in use. ENERGY: 2541000 752.0064 2041.8047 1915.5570 113.1758 -206335.1164 18061.2524 0.0000 0.0000 34334.8818 -149116.4383 299.8551 -183451.3201 -149026.0020 298.8249 179.6932 213.4872 556983.9090 -0.5917 -0.5144 PRESSURE: 2541200 -108.264 10.0028 -5.27332 10.0029 -177.846 -51.6393 -5.27403 -51.6406 -379.213 GPRESSURE: 2541200 -111.395 -7.94037 -0.536656 23.4989 -102.627 -101.946 54.7548 48.6039 -350.46 PRESSAVG: 2541200 21.6328 -42.3636 31.2922 -42.3636 49.6119 5.60471 31.2922 5.60471 -63.5398 GPRESSAVG: 2541200 21.5752 -39.3367 28.8335 -44.2408 49.0489 6.8691 31.1146 5.61945 -62.9835 TIMING: 2541200 CPU: 7658.05, 0.00300195/step Wall: 7658.05, 0.00300195/step, 2.05033 hours remaining, 210.812500 MB of memory in use. ENERGY: 2541200 726.0535 2040.0875 1941.4840 106.3577 -205811.5483 17487.7811 0.0000 0.0000 34338.3005 -149171.4840 299.8849 -183509.7845 -149069.5325 299.6875 -221.7742 -188.1606 557456.3939 2.5683 2.5469 PRESSURE: 2541400 69.4476 222.933 44.4709 222.933 264.241 -13.2432 44.4712 -13.2435 -174.294 GPRESSURE: 2541400 16.8307 157.859 96.265 226.128 283.635 -28.772 120.764 -38.5529 -33.1871 PRESSAVG: 2541400 -4.09667 -43.6692 20.7048 -43.6692 42.3418 -27.9989 20.7048 -27.999 11.3654 GPRESSAVG: 2541400 -4.084 -46.3215 23.4287 -42.4049 41.8549 -29.5674 20.5344 -25.6754 11.3802 TIMING: 2541400 CPU: 7658.64, 0.00298368/step Wall: 7658.64, 0.00298368/step, 2.03769 hours remaining, 210.812500 MB of memory in use. ENERGY: 2541400 749.5284 2036.9986 1957.8079 107.3858 -206198.5841 17848.1565 0.0000 0.0000 34308.2703 -149190.4366 299.6227 -183498.7069 -149094.2983 299.9421 53.1314 89.0930 555388.9345 16.5368 16.3837 PRESSURE: 2541600 -151.439 58.182 -59.8166 58.1824 -107.301 -77.5043 -59.8167 -77.5062 -114.777 GPRESSURE: 2541600 -108.801 -17.1587 -38.4609 115.312 -67.3201 -95.5518 -80.7508 -56.8975 -108.482 PRESSAVG: 2541600 15.5837 19.1596 16.8822 19.1596 39.5386 -4.81725 16.8823 -4.81717 -82.5498 GPRESSAVG: 2541600 16.2218 19.0489 17.4266 16.9064 39.0046 -1.37252 16.051 -9.80489 -82.6984 TIMING: 2541600 CPU: 7659.24, 0.00301058/step Wall: 7659.24, 0.00301058/step, 2.05589 hours remaining, 210.812500 MB of memory in use. ENERGY: 2541600 735.9246 2104.6546 1927.2570 117.8014 -205871.8749 17567.4923 0.0000 0.0000 34260.1928 -149158.5523 299.2028 -183418.7451 -149056.5826 298.9977 -124.5055 -94.8678 557062.0434 -9.1425 -9.1573 PRESSURE: 2541800 208.537 -167.779 117.329 -167.781 43.507 -5.81679 117.331 -5.81703 -98.9585 GPRESSURE: 2541800 257.687 -59.0438 258.027 -123.549 108.138 -27.7873 52.031 51.6187 -107.432 PRESSAVG: 2541800 -2.38757 27.0478 -17.0327 27.0479 -22.5686 25.1899 -17.0327 25.19 42.8094 GPRESSAVG: 2541800 -2.90947 28.6481 -18.4468 27.6201 -20.8737 23.4839 -15.9246 28.7831 42.0931 TIMING: 2541800 CPU: 7659.85, 0.00301014/step Wall: 7659.85, 0.00301014/step, 2.05542 hours remaining, 210.812500 MB of memory in use. ENERGY: 2541800 751.2545 2131.0527 1914.7305 112.3827 -206211.0996 17880.9923 0.0000 0.0000 34154.1186 -149266.5684 298.2764 -183420.6870 -149172.3127 299.4407 51.0285 86.1308 556063.4837 5.9511 6.1033 PRESSURE: 2542000 -6.82169 51.4078 -34.977 51.4078 -4.54464 1.08675 -34.9774 1.08424 -41.9807 GPRESSURE: 2542000 50.8332 78.0405 51.8585 51.9064 -43.8786 -53.9638 -47.9915 46.1577 40.1486 PRESSAVG: 2542000 -4.05769 -0.34138 26.2189 -0.341371 -4.64757 -1.48086 26.2188 -1.48076 -20.9353 GPRESSAVG: 2542000 -4.08301 -1.00335 25.7244 0.270636 -5.13079 -2.77962 26.6094 -2.3057 -20.5895 TIMING: 2542000 CPU: 7660.45, 0.00300039/step Wall: 7660.45, 0.00300039/step, 2.0486 hours remaining, 210.812500 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: 2542000 736.9729 2156.7512 1917.9894 109.0923 -206321.3048 17725.3973 0.0000 0.0000 34327.3292 -149347.7725 299.7891 -183675.1017 -149253.5546 299.6259 -17.7823 15.7011 556636.1448 -9.8802 -9.9344 PRESSURE: 2542200 -126.193 -28.4912 242.776 -28.4911 -144.722 -41.2774 242.778 -41.2783 -200.614 GPRESSURE: 2542200 -99.3667 27.9449 256.977 -65.5886 -112.207 -37.1401 161.467 10.2458 -160.895 PRESSAVG: 2542200 -8.50273 25.7372 19.7695 25.7372 59.4094 -2.70566 19.7694 -2.70571 -87.9221 GPRESSAVG: 2542200 -8.30576 26.0703 21.3155 25.7607 60.0326 -4.09909 18.7057 -0.555844 -88.6321 TIMING: 2542200 CPU: 7661.05, 0.00299115/step Wall: 7661.05, 0.00299115/step, 2.04213 hours remaining, 210.871094 MB of memory in use. ENERGY: 2542200 725.9141 2101.4980 1936.9278 101.3276 -205605.7739 17532.0880 0.0000 0.0000 33919.5209 -149288.4976 296.2276 -183208.0185 -149184.6137 299.2801 -157.1764 -124.1561 559022.8904 -12.3385 -12.3018 PRESSURE: 2542400 -139.583 59.6237 10.6559 59.6243 175.964 -83.852 10.6561 -83.8531 -41.2439 GPRESSURE: 2542400 -132.79 94.175 17.341 4.60388 196.694 -57.4481 -55.5831 -66.768 19.5941 PRESSAVG: 2542400 48.5057 80.603 -7.80563 80.603 34.9727 -25.9373 -7.80557 -25.9373 -52.6804 GPRESSAVG: 2542400 48.695 79.3503 -10.9856 83.8134 35.2831 -21.6635 -6.29146 -29.8834 -54.3973 TIMING: 2542400 CPU: 7661.65, 0.00300312/step Wall: 7661.65, 0.00300312/step, 2.05013 hours remaining, 210.871094 MB of memory in use. ENERGY: 2542400 704.1995 2061.5387 1901.2187 121.6495 -206175.5137 17851.1079 0.0000 0.0000 34246.4677 -149289.3318 299.0829 -183535.7995 -149189.7352 298.6095 -1.6208 27.8327 558378.6135 10.2660 9.8603 PRESSURE: 2542600 -169.192 29.4897 -96.9005 29.4884 -35.3035 -26.0948 -96.9017 -26.0946 -145.374 GPRESSURE: 2542600 -127.328 -4.19755 -193.664 31.5114 -34.3659 -39.8544 -57.3408 -72.3682 -92.1423 PRESSAVG: 2542600 -9.09466 16.5269 -76.7284 16.5269 46.8911 -14.8313 -76.7284 -14.8312 -53.8875 GPRESSAVG: 2542600 -9.71777 19.8613 -74.0319 14.7627 46.2329 -18.0395 -77.5836 -11.5703 -52.7103 TIMING: 2542600 CPU: 7662.24, 0.00298701/step Wall: 7662.24, 0.00298701/step, 2.03896 hours remaining, 210.871094 MB of memory in use. ENERGY: 2542600 725.2180 2133.6645 1922.9453 109.3341 -206142.1091 17567.0060 0.0000 0.0000 34055.3458 -149628.5955 297.4138 -183683.9413 -149536.1599 298.5261 -116.6231 -84.6120 557825.8727 -5.3637 -5.3984 PRESSURE: 2542800 84.089 -101.652 -224.065 -101.651 -173.506 -87.7843 -224.066 -87.786 -216.651 GPRESSURE: 2542800 83.671 -110.713 -234.682 -86.8477 -143.63 -97.2682 -206.226 -99.9323 -151.189 PRESSAVG: 2542800 23.0207 -6.63321 -9.33164 -6.63328 52.4702 -27.0811 -9.33161 -27.0811 -40.2264 GPRESSAVG: 2542800 21.8938 -8.38487 -11.098 -7.33021 52.9151 -28.6255 -8.90453 -26.6722 -39.1651 TIMING: 2542800 CPU: 7662.84, 0.00300291/step Wall: 7662.84, 0.00300291/step, 2.04965 hours remaining, 210.871094 MB of memory in use. ENERGY: 2542800 754.2237 2045.3087 1923.0791 122.9887 -206754.0366 17984.9692 0.0000 0.0000 34162.3152 -149761.1520 298.3480 -183923.4672 -149665.0247 297.6736 -102.0227 -70.3826 558660.9311 11.7548 11.8813 PRESSURE: 2543000 -146.398 149.041 49.2942 149.041 -222.57 -90.4389 49.2957 -90.4377 71.3493 GPRESSURE: 2543000 -164.718 147.932 -66.0541 74.2839 -186.296 -34.5694 111.603 -69.3013 150.686 PRESSAVG: 2543000 47.6232 24.8467 22.7196 24.8466 -23.3642 -80.1953 22.7196 -80.1951 -58.0668 GPRESSAVG: 2543000 49.7058 23.285 22.0654 25.2129 -24.1498 -77.0017 21.9272 -81.7862 -59.2985 TIMING: 2543000 CPU: 7663.46, 0.00306314/step Wall: 7663.46, 0.00306314/step, 2.09059 hours remaining, 210.871094 MB of memory in use. ENERGY: 2543000 760.6545 2139.2107 1922.9337 104.5089 -206602.3034 17840.0639 0.0000 0.0000 33831.6332 -150003.2985 295.4601 -183834.9316 -149895.2550 297.1329 -99.2063 -66.7762 557807.0472 -11.2693 -11.2475 PRESSURE: 2543200 8.79395 154.324 -61.0621 154.324 -152.36 26.3831 -61.062 26.3846 -268.458 GPRESSURE: 2543200 44.7924 239.412 -5.03397 94.9784 -129.892 14.5729 -93.0917 21.3517 -231.316 PRESSAVG: 2543200 32.0505 20.5973 4.37947 20.5973 -42.7899 0.68718 4.37945 0.687172 26.7049 GPRESSAVG: 2543200 31.0868 20.7753 4.89083 22.5651 -42.651 -0.695713 4.72647 1.57206 27.9513 TIMING: 2543200 CPU: 7664.06, 0.00302912/step Wall: 7664.06, 0.00302912/step, 2.06721 hours remaining, 210.871094 MB of memory in use. ENERGY: 2543200 760.2324 2136.9945 1936.7579 115.4590 -206422.8248 17774.2541 0.0000 0.0000 33813.5164 -149885.6105 295.3018 -183699.1270 -149807.5370 297.4702 -137.3412 -105.4718 556761.6445 5.3218 5.4624 PRESSURE: 2543400 98.1069 -49.6502 -154.129 -49.651 342.133 139.218 -154.128 139.217 280.261 GPRESSURE: 2543400 158.493 -81.4548 -173.449 -94.3065 355.946 93.6922 -144.556 65.578 294.895 PRESSAVG: 2543400 25.2595 11.0675 -61.8079 11.0674 21.5122 8.76919 -61.8078 8.76908 -33.7363 GPRESSAVG: 2543400 26.4662 10.2467 -62.154 10.628 21.4541 9.33965 -61.1622 8.63454 -34.4324 TIMING: 2543400 CPU: 7664.67, 0.00302595/step Wall: 7664.67, 0.00302595/step, 2.06487 hours remaining, 210.871094 MB of memory in use. ENERGY: 2543400 725.7608 2029.1804 1937.1899 115.7256 -206709.9924 18219.3020 0.0000 0.0000 33945.6116 -149737.2221 296.4555 -183682.8337 -149645.3084 296.9813 240.1670 269.7777 556775.3550 4.3451 4.4959 PRESSURE: 2543600 107.506 -120.104 -34.275 -120.105 158.354 -7.27659 -34.2744 -7.27453 -110.579 GPRESSURE: 2543600 82.3485 -49.9952 -76.1497 -93.7898 207.844 39.8818 -41.3564 -6.30551 -40.5591 PRESSAVG: 2543600 2.80573 -32.8902 -24.2137 -32.8903 4.62094 4.51591 -24.2138 4.51591 4.21733 GPRESSAVG: 2543600 2.86035 -32.1969 -23.2307 -33.0894 5.23058 4.86595 -24.2715 3.97401 3.59363 TIMING: 2543600 CPU: 7665.27, 0.00303746/step Wall: 7665.27, 0.00303746/step, 2.07256 hours remaining, 210.871094 MB of memory in use. ENERGY: 2543600 724.2199 2038.8676 1921.0526 116.0655 -206642.7793 17875.2548 0.0000 0.0000 34328.4055 -149638.9133 299.7985 -183967.3189 -149538.7035 297.8940 51.7604 83.2111 557388.8699 3.8813 3.8949 PRESSURE: 2543800 109.431 -93.1458 36.9906 -93.1447 169.477 -3.5702 36.9916 -3.57037 93.0967 GPRESSURE: 2543800 118.262 -102.56 69.1676 -174.478 265.108 -67.5724 23.3396 11.5543 102.927 PRESSAVG: 2543800 -28.3962 -20.558 -25.6407 -20.5579 38.4443 25.2599 -25.6407 25.2599 8.94235 GPRESSAVG: 2543800 -27.6442 -19.5281 -25.1601 -22.4723 38.4914 26.4291 -26.4337 24.2168 9.12838 TIMING: 2543800 CPU: 7665.88, 0.00301769/step Wall: 7665.88, 0.00301769/step, 2.05891 hours remaining, 210.871094 MB of memory in use. ENERGY: 2543800 742.0212 2051.0990 1931.3171 114.2926 -206239.5983 17911.5516 0.0000 0.0000 33902.9380 -149586.3790 296.0828 -183489.3169 -149481.2702 297.6896 124.0017 162.0989 556869.2253 6.3301 6.6586 PRESSURE: 2544000 -226.513 95.9355 148.02 95.9354 46.7051 -213.212 148.02 -213.215 -374.955 GPRESSURE: 2544000 -238.329 47.5633 142.309 25.0393 59.0917 -243.015 170.874 -171.74 -290.607 PRESSAVG: 2544000 -54.4208 -10.1483 8.44329 -10.1484 56.0689 -23.1144 8.44341 -23.1144 -5.79158 GPRESSAVG: 2544000 -53.678 -11.3115 7.43382 -8.83734 56.0106 -26.3056 8.34023 -21.3444 -5.92219 TIMING: 2544000 CPU: 7666.48, 0.00302498/step Wall: 7666.48, 0.00302498/step, 2.06371 hours remaining, 210.871094 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: 2544000 770.6279 2080.9715 1942.1818 110.9763 -206392.2512 17640.8708 0.0000 0.0000 34385.7529 -149460.8700 300.2993 -183846.6229 -149366.2275 298.8364 -184.9208 -156.6147 557593.2976 -1.3812 -1.1965 PRESSURE: 2544200 -242.858 -170.99 4.24233 -170.991 225.594 143.765 4.24239 143.767 -230.611 GPRESSURE: 2544200 -203.137 -295.428 -74.0135 -84.1279 286.134 95.2674 45.2749 151.274 -241.103 PRESSAVG: 2544200 -34.8799 10.9794 -33.6155 10.9794 12.3543 -32.0699 -33.6155 -32.0698 50.9481 GPRESSAVG: 2544200 -35.7982 13.451 -33.9363 9.06026 10.518 -30.8532 -32.9041 -31.9152 53.9411 TIMING: 2544200 CPU: 7667.08, 0.00300491/step Wall: 7667.08, 0.00300491/step, 2.04985 hours remaining, 210.871094 MB of memory in use. ENERGY: 2544200 733.4789 2123.9246 1924.7670 110.4667 -206084.3806 17697.2670 0.0000 0.0000 34267.0042 -149227.4721 299.2623 -183494.4764 -149129.6971 298.6127 -82.6250 -52.7021 557219.0852 9.4742 9.5537 LDB: ============= START OF LOAD BALANCING ============== 7670.6 LDB: ============== END OF LOAD BALANCING =============== 7670.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7670.6 LDB: ============= START OF LOAD BALANCING ============== 7670.9 LDB: Largest compute 4800 load 0.027796 is 23.5% of average load 0.118070 LDB: Average compute 0.001719 is 1.5% of average load 0.118070 LDB: TIME 7670.91 LOAD: AVG 0.11807 MAX 0.208756 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.68 MB LDB: TIME 7670.91 LOAD: AVG 0.11807 MAX 0.208756 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.68 MB LDB: TIME 7670.91 LOAD: AVG 0.11807 MAX 0.208756 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.68 MB LDB: ============== END OF LOAD BALANCING =============== 7670.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7670.91 PRESSURE: 2544400 145.441 87.6818 35.4956 87.6822 -54.3161 -15.0943 35.4947 -15.0944 16.4429 GPRESSURE: 2544400 172.091 101.601 9.6517 99.7644 -21.061 -102.188 56.2932 22.0541 49.6615 PRESSAVG: 2544400 -11.3742 33.2938 -26.2468 33.2937 -39.6532 11.0562 -26.2468 11.0563 61.3289 GPRESSAVG: 2544400 -11.1364 33.4335 -27.1602 34.3012 -38.0497 11.1943 -26.3289 11.5719 59.5803 TIMING: 2544400 CPU: 7667.7, 0.00306299/step Wall: 7667.7, 0.00306299/step, 2.0893 hours remaining, 208.226562 MB of memory in use. ENERGY: 2544400 723.2373 2090.7502 1933.6879 123.9410 -206360.3557 17912.7370 0.0000 0.0000 34277.9983 -149298.0040 299.3583 -183576.0022 -149196.3124 298.5485 35.8558 66.8973 557346.8615 3.4338 3.4647 PRESSURE: 2544600 152.539 -78.5669 153.947 -78.5669 50.7917 -68.925 153.947 -68.9239 109.634 GPRESSURE: 2544600 195.843 -68.8037 151.336 -81.7393 81.8382 -58.9058 122.778 -93.6673 122.332 PRESSAVG: 2544600 58.1205 -6.69235 19.1429 -6.69241 -22.7054 7.3979 19.143 7.39805 1.5395 GPRESSAVG: 2544600 58.2442 -6.33724 20.6663 -8.24679 -21.7727 6.60104 19.269 7.19525 0.294462 TIMING: 2544600 CPU: 7668.3, 0.00299252/step Wall: 7668.3, 0.00299252/step, 2.04107 hours remaining, 208.429688 MB of memory in use. ENERGY: 2544600 735.5099 2063.9087 1963.1372 116.1108 -206367.8696 17910.3745 0.0000 0.0000 34257.5466 -149321.2818 299.1797 -183578.8285 -149216.9753 299.0885 104.3213 133.3376 556881.0572 12.3182 12.2553 PRESSURE: 2544800 -225.078 -61.7725 -13.5936 -61.772 -401.018 56.9173 -13.5923 56.9162 -26.724 GPRESSURE: 2544800 -217.514 -74.7763 17.8778 -78.9522 -404.185 60.821 -40.7556 48.7862 65.8735 PRESSAVG: 2544800 78.0042 2.73751 -16.3571 2.73759 -52.1102 -10.9704 -16.3571 -10.9704 -3.39347 GPRESSAVG: 2544800 77.4916 -0.140141 -15.704 3.89445 -52.6886 -10.7216 -16.9511 -9.38254 -1.93037 TIMING: 2544800 CPU: 7668.9, 0.0030374/step Wall: 7668.9, 0.0030374/step, 2.07151 hours remaining, 208.429688 MB of memory in use. ENERGY: 2544800 758.8864 2140.8430 1930.0508 101.7637 -205959.2120 17554.3961 0.0000 0.0000 34335.5001 -149137.7719 299.8605 -183473.2719 -149045.8945 299.3393 -217.6067 -185.2750 557982.2271 7.5002 7.6242 PRESSURE: 2545000 -77.0011 123.659 43.1804 123.658 39.8962 62.5201 43.1789 62.5212 -150.706 GPRESSURE: 2545000 -33.103 123.392 -34.8593 123.214 61.0481 41.859 91.0025 69.0519 -105.561 PRESSAVG: 2545000 13.9634 -9.55773 -40.998 -9.55773 32.9562 -5.7662 -40.9979 -5.76624 7.88464 GPRESSAVG: 2545000 12.9771 -7.03622 -40.7825 -11.0881 33.7293 -5.3817 -42.6163 -8.4212 8.27877 TIMING: 2545000 CPU: 7669.51, 0.00303046/step Wall: 7669.51, 0.00303046/step, 2.06661 hours remaining, 208.429688 MB of memory in use. ENERGY: 2545000 727.3747 2100.9592 1937.9793 109.5543 -205846.9230 17668.9038 0.0000 0.0000 34291.0230 -149011.1287 299.4720 -183302.1516 -148905.1791 299.7983 -62.6037 -25.8719 558886.0106 18.2681 18.3284 PRESSURE: 2545200 51.6686 12.9781 106.062 12.9782 160.22 -65.647 106.063 -65.6472 88.5894 GPRESSURE: 2545200 109.076 108.385 41.3853 -11.7609 196.078 -143.429 127.935 9.74282 86.8418 PRESSAVG: 2545200 23.082 0.643022 16.1874 0.642937 -35.2383 22.1799 16.1874 22.18 2.18219 GPRESSAVG: 2545200 23.6021 1.89456 15.3615 1.31859 -34.6601 21.4839 16.4999 23.6907 0.664381 TIMING: 2545200 CPU: 7670.11, 0.00301969/step Wall: 7670.11, 0.00301969/step, 2.05909 hours remaining, 208.429688 MB of memory in use. ENERGY: 2545200 755.2431 2116.4562 1937.7331 116.8549 -206275.2599 18005.8613 0.0000 0.0000 34205.8200 -149137.2913 298.7279 -183343.1114 -149038.9386 299.1472 100.1595 130.6650 557525.1719 -3.3247 -3.4645 PRESSURE: 2545400 37.1798 -36.9863 91.8088 -36.9859 197.438 15.6446 91.8088 15.6439 -315.08 GPRESSURE: 2545400 37.7628 -53.1928 41.8491 -117.368 189.986 -8.55276 105.45 -5.74145 -217.24 PRESSAVG: 2545400 2.2295 0.345183 -21.5238 0.345213 -14.2325 -43.4025 -21.5238 -43.4025 -30.2258 GPRESSAVG: 2545400 3.07016 -2.05584 -21.4538 0.635613 -15.1408 -41.8225 -19.9183 -44.3809 -29.9399 TIMING: 2545400 CPU: 7670.72, 0.00302834/step Wall: 7670.72, 0.00302834/step, 2.06482 hours remaining, 208.429688 MB of memory in use. ENERGY: 2545400 697.4123 2100.3147 1925.9776 106.8935 -205941.5299 17628.5579 0.0000 0.0000 34390.6661 -149091.7079 300.3422 -183482.3740 -148992.6656 299.3882 -26.8207 3.5029 557907.1863 -14.0763 -14.0035 PRESSURE: 2545600 -78.3738 1.91841 32.4756 1.91909 -16.3924 35.2785 32.4755 35.2778 -90.1594 GPRESSURE: 2545600 -6.44426 -37.4481 19.3293 71.3045 10.342 116.104 12.4274 71.0167 -93.4699 PRESSAVG: 2545600 1.41097 -15.1604 35.3711 -15.1604 46.8005 21.9607 35.3711 21.9608 -15.0542 GPRESSAVG: 2545600 1.20037 -14.9325 39.2919 -14.8997 46.1819 23.1523 33.1337 21.2911 -14.5555 TIMING: 2545600 CPU: 7671.32, 0.00302163/step Wall: 7671.32, 0.00302163/step, 2.06008 hours remaining, 208.429688 MB of memory in use. ENERGY: 2545600 748.6212 2120.1600 1927.0133 101.5254 -206216.8559 17755.4546 0.0000 0.0000 34361.5541 -149202.5273 300.0880 -183564.0814 -149106.9011 299.6461 -61.6419 -29.8574 558087.0122 11.0524 10.9422 PRESSURE: 2545800 59.0943 117.537 49.5204 117.536 -52.5078 -65.2379 49.5208 -65.2389 -319.576 GPRESSURE: 2545800 82.2261 79.0387 25.2892 47.4833 -6.56416 -91.8613 110.289 -68.0962 -276.784 PRESSAVG: 2545800 -10.1547 30.2617 17.4506 30.2618 79.3651 -41.0802 17.4507 -41.0801 -53.5237 GPRESSAVG: 2545800 -10.1224 29.3493 14.6729 32.039 79.8073 -42.1963 17.8578 -40.434 -53.3817 TIMING: 2545800 CPU: 7671.93, 0.00303286/step Wall: 7671.93, 0.00303286/step, 2.06757 hours remaining, 208.429688 MB of memory in use. ENERGY: 2545800 705.0032 2022.2242 1958.0640 109.8677 -206176.0664 17664.0202 0.0000 0.0000 34464.5103 -149252.3768 300.9871 -183716.8871 -149152.4345 299.7472 -104.3299 -67.0407 558355.3989 5.2289 5.4344 PRESSURE: 2546000 -9.68695 -59.7402 6.45313 -59.7413 -512.125 110.113 6.45257 110.112 -377.156 GPRESSURE: 2546000 -13.4493 -63.235 17.1537 -51.9069 -463.67 189.264 -41.8805 82.4861 -337.949 PRESSAVG: 2546000 11.0147 -15.0616 -1.6454 -15.0615 52.8334 -15.5607 -1.64544 -15.5607 -57.3007 GPRESSAVG: 2546000 11.3847 -15.1377 -0.0136202 -13.3434 53.0985 -14.5766 -3.64386 -15.5885 -57.322 TIMING: 2546000 CPU: 7672.53, 0.00301682/step Wall: 7672.53, 0.00301682/step, 2.05646 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: 2546000 791.0443 2055.7978 1952.0033 112.5794 -206023.1103 17634.2007 0.0000 0.0000 34170.2106 -149307.2741 298.4169 -183477.4847 -149213.9436 299.3898 -299.6559 -271.6893 558570.2962 2.1825 2.3871 PRESSURE: 2546200 -205.388 -75.9245 -28.619 -75.9242 -204.969 120.955 -28.6186 120.953 -109.534 GPRESSURE: 2546200 -124.496 -51.077 -53.6641 -95.9222 -250.783 140.944 78.116 62.159 -54.6572 PRESSAVG: 2546200 50.4435 -32.0014 50.1057 -32.0013 -40.036 34.1711 50.1057 34.1711 -50.8878 GPRESSAVG: 2546200 50.9509 -33.701 48.2432 -33.9289 -41.0506 32.647 53.0078 33.752 -50.7301 TIMING: 2546200 CPU: 7673.14, 0.0030131/step Wall: 7673.14, 0.0030131/step, 2.05376 hours remaining, 208.429688 MB of memory in use. ENERGY: 2546200 731.7272 2115.6523 1927.8475 107.4746 -205995.9950 17557.8284 0.0000 0.0000 34319.0331 -149236.4319 299.7167 -183555.4650 -149131.3784 299.4666 -173.2968 -143.3122 559101.5986 -13.4934 -13.6099 PRESSURE: 2546400 -31.3193 -94.7934 54.9153 -94.792 104.881 -33.8951 54.9154 -33.8961 4.52941 GPRESSURE: 2546400 -8.55762 -51.7855 44.365 -71.3319 123.43 -26.0902 106.573 -57.2903 58.6284 PRESSAVG: 2546400 24.1561 -28.2458 -44.3613 -28.2458 65.8045 39.5477 -44.3613 39.5477 -39.0295 GPRESSAVG: 2546400 23.8265 -25.9651 -43.8169 -29.5929 66.0579 40.7517 -43.2294 38.8694 -38.7315 TIMING: 2546400 CPU: 7673.74, 0.00303771/step Wall: 7673.74, 0.00303771/step, 2.07037 hours remaining, 208.429688 MB of memory in use. ENERGY: 2546400 722.7063 2064.1421 1939.7428 107.6582 -205931.7052 17851.0157 0.0000 0.0000 34094.4057 -149152.0345 297.7549 -183246.4402 -149049.8545 299.5670 26.0304 57.8335 558379.6485 16.9770 17.0510 PRESSURE: 2546600 -200.8 6.70259 94.2263 6.7038 -308.643 -285.102 94.2263 -285.102 -58.7128 GPRESSURE: 2546600 -164.162 65.7676 137.127 48.8718 -239.667 -231.743 157.382 -346.877 -71.5225 PRESSAVG: 2546600 28.6742 26.228 28.8395 26.228 -10.7035 15.6926 28.8395 15.6926 -53.5376 GPRESSAVG: 2546600 29.3674 25.9672 29.0814 27.3866 -10.5749 15.4207 27.2954 16.2939 -54.6273 TIMING: 2546600 CPU: 7674.35, 0.00304832/step Wall: 7674.35, 0.00304832/step, 2.07743 hours remaining, 208.632812 MB of memory in use. ENERGY: 2546600 770.1450 2085.4472 1938.4675 102.9940 -205705.0950 17659.1308 0.0000 0.0000 34125.9225 -149022.9881 298.0302 -183148.9106 -148918.2743 298.8374 -189.3853 -158.4506 561018.0650 -11.8556 -11.9449 PRESSURE: 2546800 29.5562 57.2153 -33.9533 57.2157 -121.916 -91.2141 -33.9535 -91.2143 84.7383 GPRESSURE: 2546800 21.8622 36.9632 -7.47569 80.7971 -96.7617 -146.645 -74.6524 -78.0366 150.918 PRESSAVG: 2546800 -25.0714 -7.72099 14.6684 -7.72096 -50.1665 -23.8209 14.6685 -23.8211 69.2669 GPRESSAVG: 2546800 -24.4256 -8.46524 13.3916 -8.31484 -50.2787 -25.2417 15.3619 -24.154 68.9703 TIMING: 2546800 CPU: 7674.96, 0.00303605/step Wall: 7674.96, 0.00303605/step, 2.0689 hours remaining, 208.632812 MB of memory in use. ENERGY: 2546800 755.3018 2057.9698 1958.5248 118.1495 -206226.8884 17901.6229 0.0000 0.0000 34285.6437 -149149.6758 299.4251 -183435.3195 -149051.1954 298.4920 -2.5406 25.3395 559904.2397 -1.9903 -1.9113 PRESSURE: 2547000 -295.993 -87.272 2.66893 -87.2731 -3.8788 89.7017 2.66892 89.7023 -102.341 GPRESSURE: 2547000 -219.106 -76.7823 36.6691 -8.52468 52.4139 130.578 55.7813 -33.4738 -128.558 PRESSAVG: 2547000 -4.6675 -2.00083 -10.1516 -2.00087 -0.116581 -36.8174 -10.1516 -36.8173 46.7321 GPRESSAVG: 2547000 -5.60338 -1.94899 -8.97122 -1.85503 -0.338482 -37.2528 -11.0508 -36.4552 47.9331 TIMING: 2547000 CPU: 7675.56, 0.00301883/step Wall: 7675.56, 0.00301883/step, 2.057 hours remaining, 208.632812 MB of memory in use. ENERGY: 2547000 730.9666 2095.6476 1959.9175 117.4806 -205972.5606 17577.3270 0.0000 0.0000 34334.8341 -149156.3871 299.8546 -183491.2212 -149060.6469 299.7215 -134.0707 -98.4167 558864.5316 13.9827 13.9971 PRESSURE: 2547200 -209.377 -13.1122 113.544 -13.112 -83.8539 53.1787 113.544 53.1789 -233.02 GPRESSURE: 2547200 -239.741 -26.6354 136.617 -24.8757 -42.4308 112.304 98.8054 -3.77361 -156.529 PRESSAVG: 2547200 -34.9451 47.3662 30.7378 47.3662 -13.2322 5.36364 30.7378 5.36371 78.8518 GPRESSAVG: 2547200 -34.3561 46.1365 31.3549 47.2013 -13.1772 5.45982 29.8852 5.96972 78.2102 TIMING: 2547200 CPU: 7676.17, 0.00303918/step Wall: 7676.17, 0.00303918/step, 2.0707 hours remaining, 208.632812 MB of memory in use. ENERGY: 2547200 707.5666 2074.0128 1967.4649 113.2091 -206136.5801 17656.9126 0.0000 0.0000 34383.8901 -149233.5240 300.2831 -183617.4141 -149139.6738 299.4262 -175.4169 -146.2334 559059.9323 10.2248 10.2256 PRESSURE: 2547400 -301.949 -28.9907 -50.0005 -28.9915 -131.486 -88.8473 -50.0011 -88.8482 -116.247 GPRESSURE: 2547400 -214.228 -27.1844 -108.839 20.3597 -172.304 -187.744 -28.0157 -17.6686 -62.8953 PRESSAVG: 2547400 -48.4104 -28.7736 39.2388 -28.7736 82.825 -13.3744 39.2387 -13.3743 5.43861 GPRESSAVG: 2547400 -48.5232 -26.277 39.9952 -29.573 81.939 -13.0302 39.4555 -13.5828 6.40593 TIMING: 2547400 CPU: 7676.78, 0.00302352/step Wall: 7676.78, 0.00302352/step, 2.05986 hours remaining, 208.632812 MB of memory in use. ENERGY: 2547400 728.5496 2103.7006 1958.9887 116.3522 -206168.2162 17634.1103 0.0000 0.0000 34456.4462 -149170.0686 300.9167 -183626.5148 -149077.3063 299.7651 -183.2272 -149.8092 558422.7245 13.2844 13.2739 PRESSURE: 2547600 -45.7651 67.0078 69.456 67.0089 -94.4676 -33.8465 69.4557 -33.8461 2.20172 GPRESSURE: 2547600 -17.4354 63.124 12.4005 65.1209 -3.97077 -35.5665 109.137 -120.523 -16.1368 PRESSAVG: 2547600 -60.4476 -41.1446 4.87434 -41.1446 -4.27393 -47.8831 4.87435 -47.883 66.4919 GPRESSAVG: 2547600 -61.5074 -42.5966 2.98436 -40.62 -2.24182 -48.1874 5.88802 -47.583 65.6233 TIMING: 2547600 CPU: 7677.38, 0.00303695/step Wall: 7677.38, 0.00303695/step, 2.06884 hours remaining, 208.632812 MB of memory in use. ENERGY: 2547600 745.6582 2052.9098 1903.6442 110.7470 -205688.8806 17504.8478 0.0000 0.0000 34100.9304 -149270.1432 297.8119 -183371.0737 -149171.5388 299.2418 -46.0103 -12.5143 556385.1962 0.5901 0.6247 PRESSURE: 2547800 -176.271 139.539 -101.3 139.537 141.155 40.7439 -101.298 40.745 34.9015 GPRESSURE: 2547800 -132.481 114.441 -19.4388 175.968 131.92 62.8477 -121.617 77.5706 93.8318 PRESSAVG: 2547800 -39.219 62.4767 -39.8281 62.4767 -17.8839 -4.16598 -39.8281 -4.1659 42.0962 GPRESSAVG: 2547800 -38.3345 64.2583 -39.8573 61.737 -18.7674 -2.91312 -38.9225 -4.73777 42.2688 TIMING: 2547800 CPU: 7677.99, 0.00302085/step Wall: 7677.99, 0.00302085/step, 2.0577 hours remaining, 208.632812 MB of memory in use. ENERGY: 2547800 746.9647 2092.1079 1944.1423 102.8366 -206282.2139 17894.8832 0.0000 0.0000 34107.9697 -149393.3094 297.8734 -183501.2791 -149297.8431 299.1864 -0.0713 31.0901 558735.8780 -5.0022 -4.9444 PRESSURE: 2548000 -176.617 -37.0372 -221.831 -37.038 -117.368 -178.121 -221.832 -178.12 115.776 GPRESSURE: 2548000 -111.323 -52.9217 -198.708 12.5278 -79.402 -91.7872 -266.81 -234.414 103.647 PRESSAVG: 2548000 -16.8992 -29.8571 -95.1445 -29.857 62.6645 3.48088 -95.1445 3.48083 2.78941 GPRESSAVG: 2548000 -16.1475 -32.0843 -92.55 -28.5202 63.1373 3.98982 -97.8961 3.10171 1.43746 TIMING: 2548000 CPU: 7678.59, 0.00299406/step Wall: 7678.59, 0.00299406/step, 2.03929 hours remaining, 208.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2548000 762.1071 2065.2964 1932.0840 117.9826 -206336.9815 17903.6598 0.0000 0.0000 34242.3618 -149313.4898 299.0471 -183555.8516 -149218.8960 299.3503 -59.4029 -29.0263 558128.6887 16.1849 16.1424 PRESSURE: 2548200 -48.6503 10.2079 58.5884 10.2077 -168.065 90.7327 58.5885 90.731 -149.752 GPRESSURE: 2548200 -53.2843 36.9133 54.6339 -30.1403 -157.986 58.8103 54.916 93.1765 -53.2726 PRESSAVG: 2548200 -85.824 -5.85793 -48.3781 -5.85801 54.1987 12.903 -48.3783 12.903 -21.0402 GPRESSAVG: 2548200 -85.6689 -4.65031 -48.4227 -6.6804 52.37 12.2354 -45.2983 12.8473 -19.3011 TIMING: 2548200 CPU: 7679.19, 0.00299452/step Wall: 7679.19, 0.00299452/step, 2.03943 hours remaining, 208.632812 MB of memory in use. ENERGY: 2548200 765.3634 2083.7392 1931.2208 109.6840 -206099.6652 17767.9112 0.0000 0.0000 34142.9425 -149298.8041 298.1788 -183441.7466 -149205.3994 298.9435 -122.1560 -88.1810 558165.4574 -17.5552 -17.5333 LDB: ============= START OF LOAD BALANCING ============== 7682.7 LDB: ============== END OF LOAD BALANCING =============== 7682.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7682.71 LDB: ============= START OF LOAD BALANCING ============== 7683.01 LDB: Largest compute 4794 load 0.026042 is 22.1% of average load 0.118031 LDB: Average compute 0.001711 is 1.4% of average load 0.118031 LDB: TIME 7683.01 LOAD: AVG 0.118031 MAX 0.207844 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.918 MB LDB: TIME 7683.01 LOAD: AVG 0.118031 MAX 0.207844 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.922 MB LDB: TIME 7683.01 LOAD: AVG 0.118031 MAX 0.207844 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.922 MB LDB: ============== END OF LOAD BALANCING =============== 7683.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7683.01 PRESSURE: 2548400 -215.236 5.85855 113.646 5.85908 -102.831 -14.3317 113.646 -14.3317 -142.328 GPRESSURE: 2548400 -131.426 39.1344 69.5694 -68.4348 -93.0594 -34.3829 166.186 16.6402 -141.093 PRESSAVG: 2548400 -36.4067 26.2293 -18.0284 26.2293 88.5492 15.1105 -18.0283 15.1105 -21.8154 GPRESSAVG: 2548400 -38.2193 27.4144 -18.8927 26.5039 90.9936 13.7752 -19.5061 15.6862 -22.628 TIMING: 2548400 CPU: 7679.8, 0.00306496/step Wall: 7679.8, 0.00306495/step, 2.08723 hours remaining, 209.902344 MB of memory in use. ENERGY: 2548400 743.1086 2094.7522 1920.8662 104.8567 -206039.3362 17705.5407 0.0000 0.0000 34270.7942 -149199.4177 299.2954 -183470.2119 -149098.9013 299.0531 -153.4648 -121.8595 560057.9409 10.1091 10.0488 PRESSURE: 2548600 -5.30697 119.597 84.1612 119.595 -50.0108 116.448 84.1605 116.449 -34.262 GPRESSURE: 2548600 2.28778 150.8 88.6015 26.547 59.9355 138.989 26.4915 94.3348 -53.5743 PRESSAVG: 2548600 -8.62208 31.0003 -25.1123 31.0002 1.77283 -4.85701 -25.1123 -4.85685 -6.656 GPRESSAVG: 2548600 -7.62132 29.1551 -25.3047 34.2194 1.95883 -1.54519 -25.739 -5.48216 -7.3675 TIMING: 2548600 CPU: 7680.4, 0.002996/step Wall: 7680.4, 0.002996/step, 2.04011 hours remaining, 210.105469 MB of memory in use. ENERGY: 2548600 734.7252 2050.1646 1975.0126 100.2803 -206205.7081 17863.9999 0.0000 0.0000 34251.6352 -149229.8903 299.1280 -183481.5255 -149131.3660 299.1243 -29.8599 2.8830 559304.0071 -4.5017 -4.3433 PRESSURE: 2548800 164.936 7.51699 36.7189 7.51632 -100.7 78.0689 36.7194 78.069 -170.77 GPRESSURE: 2548800 191.979 -85.6319 122.036 56.2749 -112.136 69.4705 3.07914 90.3142 -90.958 PRESSAVG: 2548800 20.0944 3.91573 -39.5129 3.91572 1.81928 23.0589 -39.5129 23.059 -33.0643 GPRESSAVG: 2548800 20.9588 3.25007 -38.6796 0.500679 1.59937 19.8115 -39.8812 25.4933 -33.159 TIMING: 2548800 CPU: 7681, 0.00298715/step Wall: 7681, 0.00298715/step, 2.03392 hours remaining, 210.105469 MB of memory in use. ENERGY: 2548800 769.6808 2091.4179 1930.9113 103.3208 -206096.4564 17824.1582 0.0000 0.0000 34154.0875 -149222.8798 298.2761 -183376.9674 -149129.2761 299.1678 -35.5114 -3.7049 559042.1722 -3.7169 -3.5336 PRESSURE: 2549000 127.718 24.4313 29.9699 24.4315 -62.4149 -16.1626 29.9702 -16.1632 63.1717 GPRESSURE: 2549000 229.929 36.3435 -49.4159 67.7287 -40.4533 42.5032 42.5538 12.7369 36.5316 PRESSAVG: 2549000 -5.60261 49.5152 -5.12229 49.5152 9.04611 51.5663 -5.12225 51.5663 21.3986 GPRESSAVG: 2549000 -5.85135 51.5265 -9.59942 49.6393 8.29351 53.5195 -0.751832 48.4333 22.2082 TIMING: 2549000 CPU: 7681.6, 0.00301003/step Wall: 7681.6, 0.00301003/step, 2.04933 hours remaining, 210.105469 MB of memory in use. ENERGY: 2549000 728.3096 2095.7097 1928.2286 111.0581 -206374.7343 18048.7483 0.0000 0.0000 34320.5492 -149142.1307 299.7299 -183462.6799 -149044.4061 299.0951 42.8250 75.3359 557875.2896 8.2807 8.2168 PRESSURE: 2549200 -33.1603 -83.981 -155.38 -83.9822 -103.917 14.5644 -155.379 14.5631 106.69 GPRESSURE: 2549200 12.1522 -128.189 -144.766 -14.4788 -127.117 18.6083 -150.691 93.8712 168.422 PRESSAVG: 2549200 19.3405 13.6011 16.4833 13.6011 -44.1531 93.7164 16.4831 93.7164 24.2133 GPRESSAVG: 2549200 19.5625 12.0288 19.5918 14.8231 -43.6095 93.3288 13.1479 93.9453 23.6579 TIMING: 2549200 CPU: 7682.2, 0.00299652/step Wall: 7682.2, 0.00299652/step, 2.03996 hours remaining, 210.105469 MB of memory in use. ENERGY: 2549200 695.7628 2075.5337 1959.4822 117.9578 -205986.4438 17607.4019 0.0000 0.0000 34152.0838 -149378.2215 298.2586 -183530.3053 -149277.8301 299.5319 -10.1291 17.8189 557098.5517 -0.1998 -0.1297 PRESSURE: 2549400 284.831 -17.214 30.6167 -17.2143 75.4705 26.4515 30.6162 26.4504 27.4978 GPRESSURE: 2549400 208.059 -46.2162 113.761 95.5271 177.82 88.7049 0.656242 81.276 97.5625 PRESSAVG: 2549400 31.9643 7.92428 -33.9635 7.9243 -6.13262 22.4773 -33.9635 22.4774 -23.457 GPRESSAVG: 2549400 32.1329 10.3678 -33.6847 7.93416 -5.8181 22.3171 -33.3049 24.5081 -22.9504 TIMING: 2549400 CPU: 7682.8, 0.00301325/step Wall: 7682.8, 0.00301325/step, 2.05119 hours remaining, 210.105469 MB of memory in use. ENERGY: 2549400 754.9703 2075.1785 1933.2571 108.0168 -206566.2428 17967.8837 0.0000 0.0000 34268.5419 -149458.3945 299.2757 -183726.9364 -149366.6299 298.9691 129.2665 161.1472 554714.8515 0.7915 1.1215 PRESSURE: 2549600 -40.099 26.1424 23.5726 26.1422 -133.839 88.11 23.5733 88.1094 127.128 GPRESSURE: 2549600 28.8252 -1.90642 -1.03056 26.7582 -100.72 134.865 51.4314 12.5155 123.144 PRESSAVG: 2549600 14.7359 -41.5147 24.8461 -41.5146 -72.9139 40.9166 24.8461 40.9166 53.3478 GPRESSAVG: 2549600 15.6521 -42.9942 24.9741 -42.0166 -73.5633 39.8125 24.1624 39.4904 52.9141 TIMING: 2549600 CPU: 7683.41, 0.00303384/step Wall: 7683.41, 0.00303384/step, 2.06503 hours remaining, 210.105469 MB of memory in use. ENERGY: 2549600 724.9664 2101.9850 1899.1839 106.3474 -205991.5255 17646.4006 0.0000 0.0000 34058.6675 -149453.9747 297.4428 -183512.6422 -149361.0977 298.4980 -15.6034 17.0832 556654.3099 -1.6101 -1.6657 PRESSURE: 2549800 -284.685 -11.4325 -127.31 -11.4336 -184.942 -91.0937 -127.311 -91.0926 -123.477 GPRESSURE: 2549800 -292.804 16.7527 -84.7941 -96.9836 -133.464 -150.697 -158.738 27.7838 -97.8299 PRESSAVG: 2549800 38.3131 -6.26635 18.3714 -6.26631 -36.7247 10.2864 18.3714 10.2864 -0.779438 GPRESSAVG: 2549800 36.8889 -4.90202 19.9308 -8.36425 -36.7188 10.225 17.0647 11.11 0.552142 TIMING: 2549800 CPU: 7684.01, 0.00302838/step Wall: 7684.01, 0.00302838/step, 2.06115 hours remaining, 210.117188 MB of memory in use. ENERGY: 2549800 718.1670 2065.0210 1913.9941 111.3182 -205878.5098 17438.0454 0.0000 0.0000 34276.1167 -149355.8475 299.3419 -183631.9642 -149256.6401 298.6462 -197.7013 -174.6993 556452.5735 0.2697 0.2408 PRESSURE: 2550000 129.255 -24.8304 45.6356 -24.8306 164.528 22.0464 45.6347 22.0455 -47.8728 GPRESSURE: 2550000 191.828 -53.3849 51.2252 -61.7095 159.575 72.4058 44.5239 28.4519 -14.2917 PRESSAVG: 2550000 -31.0348 6.19751 40.3982 6.19761 -41.3594 65.368 40.3983 65.368 25.6823 GPRESSAVG: 2550000 -30.168 4.39931 35.6105 7.04171 -40.7645 67.2458 42.1984 64.1511 24.0764 TIMING: 2550000 CPU: 7684.62, 0.00302088/step Wall: 7684.62, 0.00302088/step, 2.05587 hours remaining, 210.117188 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: 2550000 714.8812 2087.1664 1953.6126 123.6241 -206425.1213 18031.6487 0.0000 0.0000 34236.9034 -149277.2849 298.9994 -183514.1883 -149179.8404 298.5268 81.9702 112.3704 557438.1908 -15.5706 -15.6187 PRESSURE: 2550200 -88.0192 80.3221 179.323 80.3224 157.707 78.5711 179.323 78.5714 197.785 GPRESSURE: 2550200 -45.4276 120.871 225.662 23.6449 242.549 50.8132 181.115 3.97926 178.144 PRESSAVG: 2550200 45.8784 -32.7896 71.7383 -32.7897 -19.7374 1.6419 71.7383 1.64193 3.03085 GPRESSAVG: 2550200 45.7661 -32.3453 72.6572 -31.3059 -19.5414 -0.385935 72.3125 2.64461 3.28483 TIMING: 2550200 CPU: 7685.22, 0.00301792/step Wall: 7685.22, 0.00301792/step, 2.0537 hours remaining, 210.117188 MB of memory in use. ENERGY: 2550200 758.1494 2132.2717 1913.2997 106.1091 -206409.9363 18060.4189 0.0000 0.0000 34315.7604 -149123.9271 299.6881 -183439.6875 -149032.3311 299.7107 89.1575 125.0885 557184.1984 9.7239 9.8365 PRESSURE: 2550400 87.3728 238.733 163.381 238.733 49.6156 -178.876 163.381 -178.875 -1.88987 GPRESSURE: 2550400 157.964 218.114 70.4927 167.661 18.9681 -159.675 141.171 -147.257 63.5065 PRESSAVG: 2550400 35.8112 -65.9089 76.2043 -65.9089 40.0793 20.6352 76.2043 20.6353 -38.3299 GPRESSAVG: 2550400 36.4774 -66.0219 78.2165 -66.9818 39.0947 20.2936 73.2782 19.735 -37.4538 TIMING: 2550400 CPU: 7685.83, 0.00303781/step Wall: 7685.83, 0.00303781/step, 2.06706 hours remaining, 210.117188 MB of memory in use. ENERGY: 2550400 711.4549 2106.0326 1937.5909 98.5786 -206190.5329 17840.8441 0.0000 0.0000 34494.5029 -149001.5289 301.2491 -183496.0318 -148897.1403 299.8160 45.0329 80.1461 557563.8984 12.5202 12.7061 PRESSURE: 2550600 133.402 -87.6651 -280.439 -87.6669 188.733 -35.8554 -280.437 -35.8546 -326.179 GPRESSURE: 2550600 147.76 -69.9705 -292.289 -125.115 209.266 -56.6374 -301.581 -48.1946 -257.474 PRESSAVG: 2550600 -3.08975 4.64041 26.9095 4.64035 -56.6171 64.5789 26.9095 64.5789 17.9485 GPRESSAVG: 2550600 -3.68092 3.36402 26.2279 7.10152 -55.9276 64.2455 28.5658 65.2242 17.7439 TIMING: 2550600 CPU: 7686.43, 0.00301987/step Wall: 7686.43, 0.00301987/step, 2.05469 hours remaining, 210.117188 MB of memory in use. ENERGY: 2550600 747.9571 1997.3862 1918.0668 105.4853 -205986.6238 17860.0984 0.0000 0.0000 34459.2274 -148898.4027 300.9410 -183357.6301 -148798.4097 300.1460 -1.3477 33.1839 558292.0704 -13.9194 -13.9549 PRESSURE: 2550800 -85.5582 114.928 32.2506 114.928 143.987 211.848 32.2515 211.849 -150.478 GPRESSURE: 2550800 -60.6787 133.034 9.85866 150.404 201.321 219.742 93.5962 222.73 -131.094 PRESSAVG: 2550800 13.6098 -22.5199 -1.10802 -22.52 -29.658 65.082 -1.10799 65.0819 -5.25386 GPRESSAVG: 2550800 13.6678 -21.6959 0.683485 -23.5884 -29.5662 66.841 -2.83692 63.9034 -5.35926 TIMING: 2550800 CPU: 7687.04, 0.00303038/step Wall: 7687.04, 0.00303038/step, 2.06167 hours remaining, 210.117188 MB of memory in use. ENERGY: 2550800 742.2430 2071.1421 1940.1790 101.3021 -205829.1761 17824.2190 0.0000 0.0000 34288.3558 -148861.7350 299.4487 -183150.0908 -148767.5219 299.6527 -30.6832 3.1830 558805.1714 -7.1007 -7.0859 PRESSURE: 2551000 -188.784 108.449 -198.871 108.448 -117.093 -78.2122 -198.869 -78.2147 -87.9252 GPRESSURE: 2551000 -214.428 64.2123 -184.139 60.1353 -57.3598 -109.556 -219.749 -84.4025 -18.9887 PRESSAVG: 2551000 -22.6468 36.1823 50.8967 36.1823 52.37 52.5147 50.8968 52.5147 -27.0697 GPRESSAVG: 2551000 -23.2742 35.4776 49.8976 36.9231 52.8565 52.3547 52.0409 53.5409 -26.7854 TIMING: 2551000 CPU: 7687.64, 0.00299331/step Wall: 7687.64, 0.00299331/step, 2.03628 hours remaining, 210.117188 MB of memory in use. ENERGY: 2551000 746.2110 2052.7877 1959.1692 119.4286 -205452.6420 17464.9192 0.0000 0.0000 34054.5398 -149055.5865 297.4068 -183110.1263 -148958.6682 299.1876 -131.2676 -96.9256 559522.3788 0.8845 0.9323 PRESSURE: 2551200 -13.4567 -179.069 -53.125 -179.069 -190.519 -189.641 -53.1262 -189.642 -251.312 GPRESSURE: 2551200 10.2586 -145.271 -50.6222 -85.779 -209.99 -158.011 -63.884 -119.195 -158.367 PRESSAVG: 2551200 -41.2649 41.8144 25.0884 41.8145 38.0215 14.0074 25.0883 14.0075 3.51538 GPRESSAVG: 2551200 -40.4687 43.8161 26.1466 38.0681 37.682 13.7727 24.1021 13.9635 3.36727 TIMING: 2551200 CPU: 7688.24, 0.00304339/step Wall: 7688.24, 0.00304339/step, 2.07018 hours remaining, 210.117188 MB of memory in use. ENERGY: 2551200 760.4163 2046.4681 1918.6201 123.4441 -205805.4577 17482.4754 0.0000 0.0000 34300.4623 -149173.5713 299.5545 -183474.0336 -149074.5196 299.8011 -151.7628 -119.3664 557909.0704 0.0906 0.1935 PRESSURE: 2551400 -175.066 -71.2257 -279.753 -71.2249 -358.361 -5.02962 -279.751 -5.02953 -311.377 GPRESSURE: 2551400 -175.351 -172.122 -266.13 29.2429 -327.155 -40.3871 -249.959 -1.18813 -254.945 PRESSAVG: 2551400 44.9664 12.3944 -45.0351 12.3943 0.264322 -36.8034 -45.0351 -36.8034 -54.3729 GPRESSAVG: 2551400 44.2874 9.5385 -46.9627 16.9069 -0.37354 -36.4916 -43.6715 -37.0925 -53.7899 TIMING: 2551400 CPU: 7688.85, 0.00304561/step Wall: 7688.85, 0.00304561/step, 2.07152 hours remaining, 210.117188 MB of memory in use. ENERGY: 2551400 726.9326 2046.1404 1936.4979 106.4996 -205383.2541 17115.6212 0.0000 0.0000 34081.3792 -149370.1832 297.6412 -183451.5624 -149280.4349 298.4999 -281.6010 -252.4839 557416.0383 -3.0474 -3.2920 PRESSURE: 2551600 -172.849 -130.629 85.0297 -130.629 -65.8895 34.5214 85.0299 34.522 -204.656 GPRESSURE: 2551600 -122.536 -156.285 143.633 -105.571 -66.4181 29.21 71.1319 9.95727 -162.838 PRESSAVG: 2551600 65.0363 -17.7201 11.3 -17.72 -0.676164 14.4966 11.2999 14.4966 -5.39637 GPRESSAVG: 2551600 64.4867 -15.9108 13.3635 -19.129 0.258212 14.9697 11.0847 14.4003 -5.21665 TIMING: 2551600 CPU: 7689.46, 0.00301526/step Wall: 7689.46, 0.00301526/step, 2.05071 hours remaining, 210.117188 MB of memory in use. ENERGY: 2551600 739.9626 2105.9981 1956.1125 109.1996 -205676.4991 17504.1578 0.0000 0.0000 34013.1936 -149247.8748 297.0457 -183261.0684 -149157.2062 298.6827 -147.7982 -117.2641 558245.8724 19.6546 19.8428 PRESSURE: 2551800 -162.117 20.2794 -92.6332 20.2795 -224.089 75.2849 -92.6336 75.2858 91.5843 GPRESSURE: 2551800 -118.296 45.1168 -95.6547 18.3344 -201.811 113.906 -121.193 -35.596 120.344 PRESSAVG: 2551800 19.3802 8.77234 20.4962 8.77233 -57.2314 5.91286 20.4961 5.91291 21.7046 GPRESSAVG: 2551800 19.2169 5.53092 19.8013 9.31412 -58.6522 5.48918 18.4795 4.4372 22.6903 TIMING: 2551800 CPU: 7690.06, 0.00301337/step Wall: 7690.06, 0.00301337/step, 2.04926 hours remaining, 210.117188 MB of memory in use. ENERGY: 2551800 731.0853 2097.6600 1923.6316 105.0391 -205914.3949 17674.9811 0.0000 0.0000 34124.6546 -149257.3433 298.0191 -183381.9979 -149168.3184 298.7774 -98.2071 -66.5874 557977.8978 -5.3822 -5.5817 PRESSURE: 2552000 318.021 -13.9258 126.708 -13.9256 208.221 -43.4988 126.707 -43.4994 141.593 GPRESSURE: 2552000 342.819 36.2273 154.866 -81.8588 245.088 -77.8733 173.463 6.50295 171.71 PRESSAVG: 2552000 37.1317 31.438 46.7781 31.4381 12.8953 -13.8128 46.7781 -13.8129 0.932161 GPRESSAVG: 2552000 38.1276 33.8719 45.2885 29.8192 13.5002 -15.4334 49.4172 -11.5614 -0.732063 TIMING: 2552000 CPU: 7690.66, 0.00300426/step Wall: 7690.66, 0.00300426/step, 2.04289 hours remaining, 210.117188 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: 2552000 720.2408 2063.9471 1944.9211 104.2961 -206370.4238 18055.9159 0.0000 0.0000 34366.3339 -149114.7690 300.1297 -183481.1029 -149013.4063 299.6921 222.6116 253.2057 557310.6815 16.9864 16.9652 PRESSURE: 2552200 -108.181 62.4272 -36.2069 62.428 -122.174 -88.4349 -36.2071 -88.4354 45.1842 GPRESSURE: 2552200 -79.007 135.297 47.852 69.2732 -93.3424 -123.68 -102.601 -101.648 76.9867 PRESSAVG: 2552200 -23.7027 -9.81306 36.2245 -9.81317 76.8002 20.5008 36.2245 20.5008 -34.3337 GPRESSAVG: 2552200 -23.4618 -12.4253 35.571 -8.9771 76.2897 19.7001 36.248 20.5779 -34.5 TIMING: 2552200 CPU: 7691.26, 0.0030209/step Wall: 7691.26, 0.0030209/step, 2.05405 hours remaining, 210.117188 MB of memory in use. ENERGY: 2552200 770.0603 2032.4063 1959.8254 117.0150 -205911.3080 17718.9266 0.0000 0.0000 34129.5569 -149183.5176 298.0619 -183313.0745 -149085.1047 299.3133 -61.7235 -31.7876 558655.3583 6.2546 6.1093 LDB: ============= START OF LOAD BALANCING ============== 7694.78 LDB: ============== END OF LOAD BALANCING =============== 7694.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7694.78 LDB: ============= START OF LOAD BALANCING ============== 7695.08 LDB: Largest compute 4794 load 0.025833 is 21.9% of average load 0.118104 LDB: Average compute 0.001724 is 1.5% of average load 0.118104 LDB: TIME 7695.08 LOAD: AVG 0.118104 MAX 0.208342 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.918 MB LDB: TIME 7695.08 LOAD: AVG 0.118104 MAX 0.208342 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.918 MB LDB: TIME 7695.08 LOAD: AVG 0.118104 MAX 0.208342 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.918 MB LDB: ============== END OF LOAD BALANCING =============== 7695.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7695.09 PRESSURE: 2552400 44.389 -55.7605 45.4413 -55.759 -63.9124 -105.756 45.4421 -105.756 48.0705 GPRESSURE: 2552400 31.9091 -30.7432 -6.0527 -39.601 1.40617 -50.2008 -43.4445 -107.105 89.0554 PRESSAVG: 2552400 -7.68703 2.57792 29.6566 2.57795 49.5384 6.60151 29.6565 6.60149 3.46629 GPRESSAVG: 2552400 -8.36828 5.33837 30.1213 1.33491 50.1098 7.6619 29.6809 5.63929 3.4289 TIMING: 2552400 CPU: 7691.87, 0.00304996/step Wall: 7691.87, 0.00304996/step, 2.07363 hours remaining, 209.710938 MB of memory in use. ENERGY: 2552400 736.7537 2041.8080 1943.5905 112.8037 -206061.9403 17725.1466 0.0000 0.0000 34415.9423 -149085.8955 300.5630 -183501.8379 -148985.4466 299.7787 9.5157 40.7902 556192.0403 15.1059 15.0568 PRESSURE: 2552600 -211.383 -29.0984 -9.58893 -29.098 49.5144 51.973 -9.58727 51.9744 173.717 GPRESSURE: 2552600 -162.645 -18.3594 28.0623 -35.1179 68.397 108.033 56.4181 43.1262 205.575 PRESSAVG: 2552600 -113.052 -36.0788 -2.5612 -36.0789 75.3968 -17.7814 -2.56116 -17.7813 52.5586 GPRESSAVG: 2552600 -112.485 -36.4718 -2.51919 -35.8722 75.753 -16.3787 -3.03964 -17.1247 51.5278 TIMING: 2552600 CPU: 7692.47, 0.00299928/step Wall: 7692.47, 0.00299928/step, 2.03901 hours remaining, 209.777344 MB of memory in use. ENERGY: 2552600 760.5860 2097.8947 1956.6137 123.4420 -205658.9718 17513.7762 0.0000 0.0000 34006.6617 -149199.9975 296.9886 -183206.6592 -149104.1290 299.3995 3.9493 37.1090 556090.8619 4.9677 4.9320 PRESSURE: 2552800 22.5639 61.3587 -113.769 61.3599 -55.4913 159.902 -113.771 159.903 -25.8572 GPRESSURE: 2552800 25.0101 82.8412 -89.1375 144.662 42.3449 162.589 -126.282 165.51 -28.4568 PRESSAVG: 2552800 25.8492 -37.6358 -1.34858 -37.6357 0.70002 38.6351 -1.34864 38.635 -24.6431 GPRESSAVG: 2552800 25.505 -38.4843 -1.57504 -35.3709 -0.435502 37.0761 -2.35547 41.401 -23.3355 TIMING: 2552800 CPU: 7693.08, 0.00301279/step Wall: 7693.08, 0.00301279/step, 2.04803 hours remaining, 209.777344 MB of memory in use. ENERGY: 2552800 756.8258 2058.4079 1903.2795 126.8773 -205941.8108 17865.4514 0.0000 0.0000 33919.9880 -149310.9810 296.2317 -183230.9690 -149211.9288 298.5253 -19.5949 12.9661 557015.7750 0.6354 0.5780 PRESSURE: 2553000 -260.155 18.2675 16.8723 18.2691 -100.869 -21.5508 16.8723 -21.549 -11.4891 GPRESSURE: 2553000 -223.869 48.3184 8.00812 -42.1894 -36.0467 -72.2827 6.76945 -55.9268 -15.9934 PRESSAVG: 2553000 -19.5445 -0.334145 15.0902 -0.33401 37.6106 91.92 15.0902 91.92 -0.562331 GPRESSAVG: 2553000 -19.1431 1.80158 16.5583 -1.9145 37.3703 92.0865 15.3501 89.211 -1.08076 TIMING: 2553000 CPU: 7693.68, 0.00303773/step Wall: 7693.68, 0.00303773/step, 2.06481 hours remaining, 209.777344 MB of memory in use. ENERGY: 2553000 765.7032 2089.7036 1955.7469 96.2157 -206063.4914 17588.6596 0.0000 0.0000 34386.5647 -149180.8977 300.3064 -183567.4625 -149089.3380 298.9478 -124.1711 -91.9695 557563.5654 5.8346 5.7155 PRESSURE: 2553200 31.7305 -121.066 -31.7283 -121.064 -133.009 72.0276 -31.728 72.027 -119.355 GPRESSURE: 2553200 59.8199 -111.628 -98.4851 -116.805 -103.426 72.6426 -33.9018 66.0934 -80.1571 PRESSAVG: 2553200 24.9059 38.7427 -13.5287 38.7428 84.7209 -47.6331 -13.5287 -47.6331 -61.046 GPRESSAVG: 2553200 24.5326 38.6806 -13.7396 38.4858 85.3513 -46.0781 -14.7283 -46.6665 -60.6219 TIMING: 2553200 CPU: 7694.29, 0.00301422/step Wall: 7694.29, 0.00301422/step, 2.04867 hours remaining, 209.777344 MB of memory in use. ENERGY: 2553200 781.5710 2027.3972 1970.2073 97.2529 -206475.0884 17837.4639 0.0000 0.0000 34373.9333 -149387.2628 300.1961 -183761.1961 -149290.1546 298.8025 -73.5447 -41.2544 557275.5576 16.1936 16.4207 PRESSURE: 2553400 -30.548 -96.8772 56.3955 -96.8763 -152.212 145.959 56.3954 145.958 -80.3204 GPRESSURE: 2553400 35.6087 -56.3686 -28.7128 -60.8981 -134.341 103.683 40.553 183.898 -54.2818 PRESSAVG: 2553400 -72.3093 -33.4332 0.493122 -33.4331 42.7877 12.6565 0.493206 12.6566 54.4887 GPRESSAVG: 2553400 -72.8766 -32.8631 -1.20336 -33.3312 42.4259 12.074 1.37733 12.7235 55.4461 TIMING: 2553400 CPU: 7694.9, 0.00304771/step Wall: 7694.9, 0.00304771/step, 2.07126 hours remaining, 209.777344 MB of memory in use. ENERGY: 2553400 761.5223 2054.5090 1960.9985 120.4077 -206063.5908 17811.0260 0.0000 0.0000 34293.2586 -149061.8686 299.4916 -183355.1272 -148960.0435 299.0075 -87.6934 -51.0048 557791.3490 8.3224 8.3318 PRESSURE: 2553600 48.265 28.5983 109.452 28.5984 -140.642 72.0094 109.451 72.0089 10.2222 GPRESSURE: 2553600 68.13 57.839 58.8811 64.9423 -77.0588 74.3151 178.343 108.842 25.1168 PRESSAVG: 2553600 -11.5271 -65.8914 -25.3206 -65.8914 -5.61059 54.634 -25.3205 54.634 15.4995 GPRESSAVG: 2553600 -11.6439 -68.3739 -22.3009 -65.8486 -4.98773 56.3523 -25.7025 54.9438 15.0305 TIMING: 2553600 CPU: 7695.5, 0.0030238/step Wall: 7695.5, 0.0030238/step, 2.05484 hours remaining, 209.777344 MB of memory in use. ENERGY: 2553600 743.5129 2073.0580 1953.3080 116.9391 -205919.7649 17660.6709 0.0000 0.0000 34196.9630 -149175.3130 298.6506 -183372.2760 -149079.4752 299.6331 -27.3849 5.3960 557821.7286 -0.5461 -0.5337 PRESSURE: 2553800 -251.342 -40.3717 -76.3143 -40.3713 274.982 -11.5804 -76.3124 -11.5803 -114.02 GPRESSURE: 2553800 -211.767 -37.2277 -162.523 -57.4695 246.288 11.7994 -15.7106 -14.7934 -28.4693 PRESSAVG: 2553800 11.1746 -25.7696 -11.7741 -25.7696 -19.4832 34.6014 -11.7741 34.6015 -30.9725 GPRESSAVG: 2553800 11.9772 -23.0698 -12.9977 -25.7035 -19.528 34.3006 -12.7601 33.2521 -31.7968 TIMING: 2553800 CPU: 7696.11, 0.00303727/step Wall: 7696.11, 0.00303727/step, 2.06383 hours remaining, 209.777344 MB of memory in use. ENERGY: 2553800 760.4817 2092.2903 1956.6468 106.0460 -206076.3520 17581.5345 0.0000 0.0000 34285.7782 -149293.5745 299.4262 -183579.3527 -149197.5821 298.3023 -30.1268 2.0173 556914.7244 -13.0937 -13.1158 PRESSURE: 2554000 -88.3141 -146.195 -86.1759 -146.196 -132.991 -61.4489 -86.1742 -61.4501 -289.449 GPRESSURE: 2554000 17.2809 -110.28 -78.5442 -91.811 -127.695 -76.7708 -108.046 -103.774 -279.829 PRESSAVG: 2554000 18.6322 -86.4966 -73.4052 -86.4966 31.3629 38.7904 -73.4052 38.7904 -58.1617 GPRESSAVG: 2554000 18.7625 -87.6794 -74.1464 -87.8298 30.3201 34.9599 -70.296 42.0483 -57.5804 TIMING: 2554000 CPU: 7696.71, 0.00299355/step Wall: 7696.71, 0.00299355/step, 2.03395 hours remaining, 209.777344 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: 2554000 760.9616 2116.7590 1964.2412 138.8121 -206138.4021 17692.0372 0.0000 0.0000 34124.5892 -149341.0017 298.0185 -183465.5909 -149248.7973 298.5321 -170.2513 -130.0810 557242.9289 -2.7222 -2.8326 PRESSURE: 2554200 381.756 247.834 25.2474 247.834 100.516 -58.0323 25.2473 -58.031 135.509 GPRESSURE: 2554200 421.882 289.718 45.886 190.291 147.851 -40.2825 7.95064 -136.277 157.062 PRESSAVG: 2554200 60.1855 -21.2265 -0.217226 -21.2264 -34.0289 -5.70007 -0.217276 -5.70003 -11.3548 GPRESSAVG: 2554200 59.2215 -19.6606 -2.83439 -21.7394 -32.1694 -2.05533 -1.22765 -7.72368 -11.3654 TIMING: 2554200 CPU: 7697.3, 0.00298741/step Wall: 7697.3, 0.00298741/step, 2.02961 hours remaining, 209.777344 MB of memory in use. ENERGY: 2554200 733.4313 2081.0334 1947.0438 112.5520 -206891.6173 18365.0636 0.0000 0.0000 34421.7571 -149230.7360 300.6138 -183652.4931 -149141.4406 298.5743 205.9272 242.2653 557263.8018 4.9339 5.2289 PRESSURE: 2554400 -40.7101 0.0649631 -106.05 0.0654902 -290.207 24.587 -106.05 24.5861 -37.5017 GPRESSURE: 2554400 13.3564 31.1288 -47.3549 14.0767 -247.541 36.1444 -116.66 27.9726 -19.443 PRESSAVG: 2554400 39.1633 15.7178 -7.24917 15.7177 -53.9122 -12.2661 -7.24913 -12.2661 7.69174 GPRESSAVG: 2554400 40.3945 14.3349 -5.46024 17.2084 -54.5101 -13.2076 -6.55935 -12.8281 7.49626 TIMING: 2554400 CPU: 7697.9, 0.00299334/step Wall: 7697.9, 0.00299334/step, 2.03348 hours remaining, 209.777344 MB of memory in use. ENERGY: 2554400 736.6184 2101.7220 1943.8708 112.8900 -206207.4966 17599.2088 0.0000 0.0000 34435.4850 -149277.7016 300.7337 -183713.1866 -149177.9376 298.9571 -122.8063 -84.5424 556825.6400 -2.3524 -2.2064 PRESSURE: 2554600 -85.9221 -13.8372 106.814 -13.8357 124.953 -54.2482 106.814 -54.2498 -320.788 GPRESSURE: 2554600 -57.1871 76.8952 107.671 -28.9371 145.747 -97.4136 98.5574 -168.434 -280.266 PRESSAVG: 2554600 -13.497 38.3755 -15.7545 38.3754 -6.86989 -8.44586 -15.7545 -8.44592 47.981 GPRESSAVG: 2554600 -13.8205 38.539 -16.3453 38.5433 -6.99709 -10.1952 -16.0342 -7.63169 48.1151 TIMING: 2554600 CPU: 7698.51, 0.00302156/step Wall: 7698.51, 0.00302156/step, 2.05248 hours remaining, 209.777344 MB of memory in use. ENERGY: 2554600 745.4221 2060.2269 1954.9101 113.2796 -206027.4920 17650.3148 0.0000 0.0000 34189.4756 -149313.8629 298.5852 -183503.3385 -149216.1397 299.2675 -93.9192 -63.9020 558736.2828 9.2047 9.0991 PRESSURE: 2554800 -132.493 8.0581 -94.5084 8.05829 -233.457 -79.1584 -94.5082 -79.1588 -410.891 GPRESSURE: 2554800 -84.7613 -68.901 -117.047 -9.73695 -230.635 -80.8604 13.152 -129.806 -353.089 PRESSAVG: 2554800 35.6179 10.329 -74.9508 10.3288 42.8794 -11.9555 -74.9509 -11.9555 -45.1516 GPRESSAVG: 2554800 35.3302 12.4899 -73.581 7.42244 42.9415 -12.427 -76.3163 -13.2511 -44.6844 TIMING: 2554800 CPU: 7699.12, 0.00304312/step Wall: 7699.12, 0.00304312/step, 2.06695 hours remaining, 209.777344 MB of memory in use. ENERGY: 2554800 754.8426 2120.8119 1919.2729 111.1879 -206052.2066 17583.7014 0.0000 0.0000 34380.4074 -149181.9825 300.2526 -183562.3900 -149086.4438 298.9551 -258.9470 -222.8284 559533.8780 11.1152 11.1957 PRESSURE: 2555000 -145.957 184.784 -72.6107 184.784 108.884 -46.4479 -72.6105 -46.4475 -110.702 GPRESSURE: 2555000 -94.1134 205.417 -133.197 191.438 90.2737 -36.3095 84.7308 -11.1394 -56.2768 PRESSAVG: 2555000 -23.0896 29.4544 -37.7301 29.4544 51.2795 21.8708 -37.73 21.8707 -2.45912 GPRESSAVG: 2555000 -22.4229 26.4392 -38.6263 33.2356 51.9647 22.8939 -35.4655 22.735 -3.17618 TIMING: 2555000 CPU: 7699.72, 0.00303213/step Wall: 7699.72, 0.00303213/step, 2.05932 hours remaining, 210.039062 MB of memory in use. ENERGY: 2555000 757.8437 2048.9157 1940.7621 102.7167 -206106.7282 17780.6275 0.0000 0.0000 34213.3547 -149262.5078 298.7937 -183475.8625 -149157.2235 298.6633 -49.2584 -20.0388 559065.8573 8.5769 8.7885 PRESSURE: 2555200 -28.9184 67.329 96.7824 67.3296 257.617 105.935 96.7831 105.934 -57.6167 GPRESSURE: 2555200 22.4542 83.2976 99.3489 110.247 248.223 127.49 43.8494 153.52 11.7774 PRESSAVG: 2555200 92.0964 13.2162 -55.2696 13.2163 -18.4138 -23.5264 -55.2696 -23.5264 -44.0364 GPRESSAVG: 2555200 91.5433 14.997 -56.2772 10.6052 -19.6952 -22.3733 -55.531 -23.2202 -42.2761 TIMING: 2555200 CPU: 7700.33, 0.00303054/step Wall: 7700.33, 0.00303054/step, 2.05807 hours remaining, 210.039062 MB of memory in use. ENERGY: 2555200 695.3677 2034.9415 1943.7286 114.4525 -206267.2325 17834.4346 0.0000 0.0000 34337.0952 -149307.2124 299.8744 -183644.3076 -149216.0674 298.9488 57.0273 94.1514 557716.8761 9.8821 9.8573 PRESSURE: 2555400 36.4727 -197.283 183.264 -197.283 114.723 -44.7363 183.264 -44.7368 -172.028 GPRESSURE: 2555400 105.512 -212.411 151.047 -158.635 94.0561 -167.002 229.625 -22.0361 -127.126 PRESSAVG: 2555400 -20.8562 22.6507 7.99366 22.6508 32.4497 6.56644 7.9937 6.56637 4.79463 GPRESSAVG: 2555400 -20.7812 22.9466 6.65318 23.4224 33.4053 5.18038 8.69403 6.94439 3.57733 TIMING: 2555400 CPU: 7700.93, 0.0030003/step Wall: 7700.93, 0.0030003/step, 2.03737 hours remaining, 210.039062 MB of memory in use. ENERGY: 2555400 748.0114 2063.9515 1929.9845 126.2821 -206267.7604 17825.8135 0.0000 0.0000 34122.4101 -149451.3072 297.9995 -183573.7173 -149354.2682 298.3394 -6.9442 24.1473 557942.2849 5.4627 5.4005 PRESSURE: 2555600 -249.615 136.084 104.454 136.084 -306.271 -4.77941 104.454 -4.77887 -131.658 GPRESSURE: 2555600 -192.156 127.861 147.751 70.3238 -322.913 -69.404 74.5334 45.3838 -68.1665 PRESSAVG: 2555600 35.439 13.6896 65.8048 13.6896 -21.7712 0.386178 65.8048 0.386287 -42.9692 GPRESSAVG: 2555600 36.335 13.7785 68.4089 12.0677 -22.6075 1.61148 64.5054 -0.244911 -43.4758 TIMING: 2555600 CPU: 7701.53, 0.00299834/step Wall: 7701.53, 0.00299834/step, 2.03587 hours remaining, 210.039062 MB of memory in use. ENERGY: 2555600 765.2669 2099.9078 1942.9551 99.8539 -205966.9265 17624.1182 0.0000 0.0000 34122.6864 -149312.1382 298.0019 -183434.8246 -149211.5422 298.2075 -229.1812 -194.4118 559224.5814 -9.7671 -9.9161 PRESSURE: 2555800 109.225 -91.7902 -55.6428 -91.7899 62.1816 -145.765 -55.6418 -145.765 126.531 GPRESSURE: 2555800 123.453 -34.6507 -48.6657 -96.2714 42.6982 -146.604 -45.3845 -174.717 232.33 PRESSAVG: 2555800 72.9379 -38.2167 1.97294 -38.2168 -60.0054 2.6024 1.97296 2.6025 -21.0104 GPRESSAVG: 2555800 71.6151 -39.0934 -0.283774 -36.2358 -59.2444 2.8056 1.81505 3.87125 -20.1976 TIMING: 2555800 CPU: 7702.13, 0.00299741/step Wall: 7702.13, 0.00299741/step, 2.03508 hours remaining, 210.039062 MB of memory in use. ENERGY: 2555800 716.9648 2015.8489 1934.8133 113.4173 -206491.2637 18131.5067 0.0000 0.0000 34225.1931 -149353.5196 298.8971 -183578.7127 -149262.8120 298.5478 99.3125 132.8271 557487.3633 -2.6926 -2.6090 PRESSURE: 2556000 40.0609 34.2371 -54.4398 34.2378 18.6723 115.939 -54.4399 115.939 245.31 GPRESSURE: 2556000 125.024 -83.7033 -28.4672 58.3016 36.3855 121.156 -135.962 29.2476 244.283 PRESSAVG: 2556000 -32.7033 -12.3156 -19.9904 -12.3157 3.50095 -24.5582 -19.9903 -24.5581 4.20884 GPRESSAVG: 2556000 -32.4287 -11.31 -17.2322 -13.0999 3.11748 -25.1499 -19.6585 -24.2838 4.73038 TIMING: 2556000 CPU: 7702.73, 0.0029937/step Wall: 7702.73, 0.0029937/step, 2.03239 hours remaining, 210.039062 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: 2556000 744.4540 2064.7048 1946.3961 110.2466 -206741.7766 18107.0845 0.0000 0.0000 34191.4995 -149577.3909 298.6029 -183768.8905 -149485.2881 298.2926 101.3478 135.2307 555707.8881 -8.3312 -8.1936 PRESSURE: 2556200 -49.4269 105.64 -69.8632 105.64 -24.7936 -74.4365 -69.8628 -74.436 -91.8034 GPRESSURE: 2556200 72.4088 65.0004 -70.8477 154.007 -64.6897 -118.928 -58.5915 -43.512 -81.9328 PRESSAVG: 2556200 3.73011 -6.32001 -17.2112 -6.31999 20.2031 23.1992 -17.2112 23.1991 -10.2829 GPRESSAVG: 2556200 4.46144 -7.97957 -18.6649 -6.585 20.6968 22.394 -16.3744 21.1498 -11.046 TIMING: 2556200 CPU: 7703.32, 0.00298293/step Wall: 7703.32, 0.00298293/step, 2.02491 hours remaining, 210.039062 MB of memory in use. ENERGY: 2556200 709.1351 2026.7830 1952.4144 112.8440 -205961.4163 17505.4060 0.0000 0.0000 34159.0623 -149495.7716 298.3196 -183654.8339 -149397.7939 298.3667 -55.3413 -24.7379 558064.4594 4.5501 4.7041 LDB: ============= START OF LOAD BALANCING ============== 7706.84 LDB: ============== END OF LOAD BALANCING =============== 7706.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7706.84 LDB: ============= START OF LOAD BALANCING ============== 7707.14 LDB: Largest compute 4772 load 0.026597 is 22.5% of average load 0.118056 LDB: Average compute 0.001721 is 1.5% of average load 0.118056 LDB: TIME 7707.14 LOAD: AVG 0.118056 MAX 0.209438 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.473 MB LDB: TIME 7707.14 LOAD: AVG 0.118056 MAX 0.209438 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.473 MB LDB: TIME 7707.14 LOAD: AVG 0.118056 MAX 0.209438 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.473 MB LDB: ============== END OF LOAD BALANCING =============== 7707.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7707.15 PRESSURE: 2556400 -32.0057 -5.39118 -34.0897 -5.39073 -97.5333 -79.8939 -34.0903 -79.8931 -284.097 GPRESSURE: 2556400 -60.8783 -35.1612 -48.6429 11.6532 -25.2674 2.28901 9.6949 -20.4538 -228.38 PRESSAVG: 2556400 64.5157 -10.4268 -33.4244 -10.4268 -36.4146 -7.05521 -33.4244 -7.05508 -19.7696 GPRESSAVG: 2556400 64.0143 -7.16383 -34.4101 -11.7511 -36.6659 -8.74019 -33.2679 -7.66207 -18.9726 TIMING: 2556400 CPU: 7703.93, 0.00304874/step Wall: 7703.93, 0.00304874/step, 2.06942 hours remaining, 209.257812 MB of memory in use. ENERGY: 2556400 724.1091 2107.6231 1935.7559 115.2070 -206173.1381 17668.2759 0.0000 0.0000 34318.2979 -149303.8691 299.7102 -183622.1670 -149212.4214 297.8964 -137.8788 -104.8418 557304.3721 2.7772 2.7919 PRESSURE: 2556600 -50.8637 76.8247 51.0243 76.8251 99.5081 116.677 51.0241 116.678 -199.91 GPRESSURE: 2556600 8.17008 39.6225 4.53479 120.41 158.562 56.1179 132.933 206.724 -227.771 PRESSAVG: 2556600 -5.17055 6.22797 -14.2414 6.22801 -3.32297 45.3725 -14.2415 45.3726 0.109448 GPRESSAVG: 2556600 -5.08331 4.51593 -12.9918 7.5006 -3.49289 44.703 -15.1741 49.1845 0.955854 TIMING: 2556600 CPU: 7704.53, 0.00296497/step Wall: 7704.53, 0.00296497/step, 2.01239 hours remaining, 209.460938 MB of memory in use. ENERGY: 2556600 763.4683 2077.3863 1926.4281 107.1545 -206390.7050 17944.1861 0.0000 0.0000 34196.6157 -149375.4660 298.6476 -183572.0817 -149281.7789 298.4896 -50.4217 -20.3462 557386.8495 -2.7947 -2.5401 PRESSURE: 2556800 -166.625 87.719 136.255 87.718 -92.5655 26.0367 136.253 26.0365 -321.416 GPRESSURE: 2556800 -94.3311 -67.4396 95.9394 160.99 -100.673 59.3506 183.429 64.3714 -281.685 PRESSAVG: 2556800 48.0923 34.4677 -32.107 34.4678 1.11197 33.9416 -32.107 33.9416 -33.8404 GPRESSAVG: 2556800 48.5487 33.1878 -31.5442 36.9869 1.17679 35.938 -31.3059 32.2267 -34.6038 TIMING: 2556800 CPU: 7705.12, 0.00295246/step Wall: 7705.12, 0.00295246/step, 2.00374 hours remaining, 209.460938 MB of memory in use. ENERGY: 2556800 751.8665 2078.7124 1936.4886 123.0718 -205917.6393 17544.6994 0.0000 0.0000 34054.3336 -149428.4669 297.4050 -183482.8005 -149333.3932 298.7604 -193.5354 -158.8966 558558.4298 5.1213 5.0406 PRESSURE: 2557000 -118.832 2.03559 -46.7822 2.03529 -29.9605 115.337 -46.7834 115.336 -151.285 GPRESSURE: 2557000 -96.1916 -5.52305 -37.0449 4.18023 -7.93761 186.009 -28.1965 72.8534 -85.6143 PRESSAVG: 2557000 -19.5048 -4.0575 -9.70351 -4.05756 -4.40603 17.5526 -9.70344 17.5526 -42.0865 GPRESSAVG: 2557000 -20.3261 -2.29018 -9.77936 -7.26413 -4.71514 18.3999 -9.85039 16.8977 -41.4166 TIMING: 2557000 CPU: 7705.71, 0.00298678/step Wall: 7705.71, 0.00298678/step, 2.02686 hours remaining, 209.460938 MB of memory in use. ENERGY: 2557000 745.6286 2032.2675 1970.8862 113.5235 -206495.6976 17819.0198 0.0000 0.0000 34286.9535 -149527.4185 299.4365 -183814.3720 -149426.5154 298.0672 -100.0257 -63.2478 557370.3896 -21.9991 -22.1526 PRESSURE: 2557200 -18.1029 -103.561 -9.66633 -103.561 -27.9009 -12.6749 -9.66475 -12.6738 -102.021 GPRESSURE: 2557200 -13.7364 -23.5014 -12.0804 -118.845 -31.692 -20.5055 0.387627 -5.09067 -13.8099 PRESSAVG: 2557200 37.8372 2.01729 -18.3701 2.01721 -93.74 -11.1712 -18.3702 -11.1712 48.9285 GPRESSAVG: 2557200 37.5339 2.00701 -17.7698 3.30806 -93.3096 -12.3595 -19.8383 -12.3081 48.9107 TIMING: 2557200 CPU: 7706.31, 0.00299711/step Wall: 7706.31, 0.00299711/step, 2.0337 hours remaining, 209.460938 MB of memory in use. ENERGY: 2557200 728.7246 2044.1911 1971.9193 117.3630 -206262.2234 17819.8101 0.0000 0.0000 34015.7982 -149564.4170 297.0684 -183580.2152 -149465.2906 297.8468 -49.3417 -19.7461 557295.9495 -2.3247 -2.2883 PRESSURE: 2557400 109.999 84.0356 -137.894 84.035 -125.754 -20.416 -137.894 -20.416 -260.818 GPRESSURE: 2557400 199.062 118.26 -84.151 66.8509 -156.23 36.9386 -196.689 -27.3319 -228.372 PRESSAVG: 2557400 57.3654 29.061 6.51792 29.0612 -22.4571 -9.71413 6.51787 -9.71416 -10.7969 GPRESSAVG: 2557400 56.5564 29.0679 5.06564 28.7895 -21.93 -9.93201 7.12817 -6.34698 -10.3351 TIMING: 2557400 CPU: 7706.91, 0.00296919/step Wall: 7706.91, 0.00296919/step, 2.0146 hours remaining, 209.460938 MB of memory in use. ENERGY: 2557400 718.8653 2016.2115 1970.9035 128.2861 -206450.8881 17725.7993 0.0000 0.0000 34369.4640 -149521.3583 300.1571 -183890.8223 -149415.5848 298.7813 -92.1910 -61.8467 557911.2858 8.0371 8.0971 PRESSURE: 2557600 -48.3355 74.969 -51.408 74.9683 -62.7292 -10.6816 -51.408 -10.683 -139.387 GPRESSURE: 2557600 -1.87812 151.939 -34.5983 -4.75014 -27.4306 -14.0619 19.9367 49.0485 -118.141 PRESSAVG: 2557600 5.09227 33.0136 -29.0793 33.0136 43.7771 35.125 -29.0793 35.1251 -24.7418 GPRESSAVG: 2557600 6.73579 32.7638 -29.703 31.5778 43.514 36.0176 -28.8457 34.3538 -26.2623 TIMING: 2557600 CPU: 7707.51, 0.00300924/step Wall: 7707.51, 0.00300924/step, 2.0416 hours remaining, 209.460938 MB of memory in use. ENERGY: 2557600 732.9958 2051.7204 1951.4279 115.5219 -206393.0841 17833.3589 0.0000 0.0000 34214.5584 -149493.5008 298.8042 -183708.0591 -149395.6723 298.5608 -83.4840 -49.1498 558460.4039 8.0425 7.9958 PRESSURE: 2557800 39.4664 54.5117 -17.0743 54.5119 -37.1645 42.5967 -17.074 42.5973 -60.4377 GPRESSURE: 2557800 42.9165 -39.5232 57.6397 45.7556 85.4182 45.3563 -64.1782 -5.77338 -102.47 PRESSAVG: 2557800 17.032 -1.79586 -38.0865 -1.79583 -25.2155 2.61742 -38.0865 2.61749 -52.5572 GPRESSAVG: 2557800 16.83 -2.81542 -37.246 1.16081 -25.2333 2.454 -37.2661 1.70863 -52.2346 TIMING: 2557800 CPU: 7708.11, 0.00299109/step Wall: 7708.11, 0.00299109/step, 2.02912 hours remaining, 209.460938 MB of memory in use. ENERGY: 2557800 747.5385 2043.8782 1933.7183 129.3032 -206271.9403 17889.9782 0.0000 0.0000 33997.0454 -149530.4784 296.9047 -183527.5239 -149435.9188 298.1136 -19.3786 8.6216 558457.8068 -20.2469 -20.2126 PRESSURE: 2558000 63.4379 -28.6198 -48.2453 -28.6208 92.4031 -77.4385 -48.2449 -77.4371 106.658 GPRESSURE: 2558000 112.889 62.0466 -10.2002 -69.555 106.005 -58.1898 -64.7675 -96.2016 139.758 PRESSAVG: 2558000 -49.9754 11.2002 -40.1032 11.2001 -0.768639 -22.9595 -40.1032 -22.9595 -3.25437 GPRESSAVG: 2558000 -50.5905 10.0521 -38.653 10.9408 -1.49635 -24.4466 -41.0125 -21.3274 -2.75043 TIMING: 2558000 CPU: 7708.72, 0.00303882/step Wall: 7708.72, 0.00303882/step, 2.06133 hours remaining, 209.460938 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: 2558000 756.5608 2111.1555 1948.1307 125.2453 -206359.5442 17832.2819 0.0000 0.0000 34084.5606 -149501.6095 297.6689 -183586.1701 -149405.4961 298.1500 87.4996 119.5505 556770.3777 -17.9995 -18.2791 PRESSURE: 2558200 3.75246 65.2426 12.9005 65.2418 -221.975 152.444 12.9002 152.447 -258.281 GPRESSURE: 2558200 -47.8039 34.0564 -0.502061 64.9952 -149.857 116.494 -54.4802 195.443 -176.033 PRESSAVG: 2558200 -16.9647 27.9339 0.0376654 27.934 36.4256 -25.3924 0.0377148 -25.3925 4.71276 GPRESSAVG: 2558200 -17.0173 28.6113 -0.117417 25.7965 37.4011 -23.3642 -0.188697 -28.446 3.84892 TIMING: 2558200 CPU: 7709.32, 0.00301983/step Wall: 7709.32, 0.00301983/step, 2.04829 hours remaining, 209.460938 MB of memory in use. ENERGY: 2558200 780.5238 2120.0644 1965.9301 111.7851 -206147.6006 17721.3298 0.0000 0.0000 34015.1415 -149432.8260 297.0627 -183447.9675 -149331.4517 298.6736 -158.8343 -124.5644 556653.1011 8.0579 8.0776 PRESSURE: 2558400 -106.306 -178.588 -98.472 -178.589 -240.798 -157.467 -98.4716 -157.466 123.62 GPRESSURE: 2558400 -138.859 -193.935 -177.083 -84.479 -177.031 -194.039 -72.9065 -62.2384 189.452 PRESSAVG: 2558400 -37.8174 32.9465 -40.3157 32.9466 18.8289 53.8961 -40.3157 53.896 53.2515 GPRESSAVG: 2558400 -37.1605 31.8148 -40.6084 34.8484 18.0643 55.2596 -41.0807 55.0206 53.2887 TIMING: 2558400 CPU: 7709.92, 0.00302501/step Wall: 7709.92, 0.00302501/step, 2.05163 hours remaining, 209.460938 MB of memory in use. ENERGY: 2558400 768.1789 2110.6369 1947.4709 106.0223 -206574.5266 17807.3550 0.0000 0.0000 34252.6537 -149582.2088 299.1369 -183834.8626 -149482.0541 298.5170 -74.4947 -42.1461 555862.9050 11.4210 11.3975 PRESSURE: 2558600 -274.607 244.232 -173.436 244.231 -236.768 -192.853 -173.434 -192.852 59.5702 GPRESSURE: 2558600 -292.867 255.201 -130.352 192.651 -202.885 -129.711 -206.556 -253.105 135.444 PRESSAVG: 2558600 24.2893 -8.99345 -17.7698 -8.99345 -23.5672 -2.22623 -17.7697 -2.22623 -5.68302 GPRESSAVG: 2558600 23.3486 -7.88052 -17.6577 -9.69711 -23.0237 -3.71406 -15.8323 0.133024 -5.07214 TIMING: 2558600 CPU: 7710.52, 0.00300161/step Wall: 7710.52, 0.00300161/step, 2.03559 hours remaining, 209.460938 MB of memory in use. ENERGY: 2558600 715.1329 2063.2853 1946.8614 115.1370 -206229.9578 17590.1949 0.0000 0.0000 34267.8748 -149531.4714 299.2699 -183799.3462 -149435.9595 298.6664 -150.6017 -120.1025 556478.9510 -1.6536 -1.5824 PRESSURE: 2558800 -138.286 61.8684 80.3046 61.8681 -81.0056 -8.30492 80.3033 -8.30481 -153.095 GPRESSURE: 2558800 -158.038 56.8397 115.22 -11.4549 -0.127169 66.9343 38.4027 -15.1404 -123.197 PRESSAVG: 2558800 -0.555538 20.9845 26.5671 20.9844 4.25483 -19.685 26.5671 -19.6849 10.0521 GPRESSAVG: 2558800 -1.61381 21.2913 26.9281 20.5182 4.88393 -20.4648 25.059 -21.0054 9.96034 TIMING: 2558800 CPU: 7711.12, 0.00298924/step Wall: 7711.12, 0.00298924/step, 2.02704 hours remaining, 209.460938 MB of memory in use. ENERGY: 2558800 744.5027 2105.4449 1936.0427 113.3033 -206385.4344 17657.8085 0.0000 0.0000 34212.5830 -149615.7494 298.7870 -183828.3324 -149521.8017 298.5252 -124.1290 -93.7873 558313.6404 4.5838 4.4102 PRESSURE: 2559000 192.278 -4.0435 85.0973 -4.04366 -59.3442 -148.397 85.0981 -148.396 -60.1364 GPRESSURE: 2559000 204.231 -89.5942 40.6213 4.85981 4.52025 -100.743 62.5252 -111.585 -41.9299 PRESSAVG: 2559000 -37.41 -7.18007 12.3818 -7.18 86.2958 20.7426 12.3818 20.7427 -93.4911 GPRESSAVG: 2559000 -36.5352 -7.77015 11.278 -8.36224 85.1042 20.1729 13.3273 21.8882 -93.5339 TIMING: 2559000 CPU: 7711.72, 0.00300503/step Wall: 7711.72, 0.00300503/step, 2.03758 hours remaining, 209.460938 MB of memory in use. ENERGY: 2559000 710.5419 2161.1262 1952.7537 107.3944 -206652.1007 17929.0301 0.0000 0.0000 34159.4235 -149631.8309 298.3227 -183791.2544 -149537.2662 298.3970 24.2657 55.6070 556991.3151 -14.8684 -14.9883 PRESSURE: 2559200 97.354 110.746 39.9574 110.745 -122.704 118.636 39.9565 118.637 -172.084 GPRESSURE: 2559200 106.601 52.6209 -49.2822 125.886 -121.709 123.332 -16.8752 85.4917 -87.1378 PRESSAVG: 2559200 48.7684 -6.60528 11.1488 -6.60526 29.9151 -3.12675 11.1488 -3.12682 -89.6287 GPRESSAVG: 2559200 47.9497 -6.04065 10.9704 -5.44152 30.9661 -1.49015 11.4616 -4.63054 -89.6 TIMING: 2559200 CPU: 7712.32, 0.0030056/step Wall: 7712.32, 0.0030056/step, 2.0378 hours remaining, 209.460938 MB of memory in use. ENERGY: 2559200 779.8539 2123.6141 1948.7921 89.3178 -206370.9592 17746.3722 0.0000 0.0000 34125.4291 -149557.5800 298.0259 -183683.0090 -149463.5220 297.7906 -65.8113 -34.0819 556296.3268 -3.6484 -3.5614 PRESSURE: 2559400 -245.304 40.5481 16.5857 40.5472 187.409 86.8908 16.585 86.8924 -234.118 GPRESSURE: 2559400 -168.4 7.56778 21.5639 -19.4534 213.374 102.327 1.85716 63.0714 -255.712 PRESSAVG: 2559400 10.9984 35.8859 47.5345 35.8858 79.9332 -3.41147 47.5346 -3.41144 -65.0211 GPRESSAVG: 2559400 11.5415 37.614 50.4792 34.8338 79.7492 -4.97202 45.0446 -3.23229 -65.841 TIMING: 2559400 CPU: 7712.92, 0.0029889/step Wall: 7712.92, 0.0029889/step, 2.02631 hours remaining, 209.460938 MB of memory in use. ENERGY: 2559400 758.2928 2073.3916 1918.0979 108.3322 -206602.9199 17755.5895 0.0000 0.0000 34416.9748 -149572.2412 300.5720 -183989.2160 -149471.0573 298.1623 -97.3377 -70.2463 558507.4532 8.6368 8.4832 PRESSURE: 2559600 5.29027 -10.0811 -94.2879 -10.0802 -128.862 38.0833 -94.2892 38.0812 74.6884 GPRESSURE: 2559600 -21.1868 80.7266 -101.815 -85.9365 -56.9265 23.1369 -85.9641 18.6818 129.266 PRESSAVG: 2559600 41.1712 9.01212 14.4003 9.01207 70.8096 -39.0441 14.4003 -39.0442 -134.776 GPRESSAVG: 2559600 41.2926 7.0583 13.2198 9.7085 70.0304 -38.1491 16.6271 -39.0104 -133.909 TIMING: 2559600 CPU: 7713.53, 0.00301728/step Wall: 7713.53, 0.00301728/step, 2.04538 hours remaining, 209.460938 MB of memory in use. ENERGY: 2559600 751.5083 2122.4897 1920.8471 102.2207 -206528.3541 17941.2772 0.0000 0.0000 34011.1105 -149678.9005 297.0275 -183690.0110 -149584.6658 299.0452 -16.2946 17.0510 558010.6505 -7.5983 -7.5286 PRESSURE: 2559800 -119.522 -97.3917 -96.0908 -97.3916 269.035 -108.468 -96.0915 -108.467 -111.359 GPRESSURE: 2559800 -71.3711 -129.31 2.80968 -127.014 305.202 -188.273 -156.203 -61.9027 -99.9203 PRESSAVG: 2559800 35.3516 -33.1897 51.773 -33.1897 57.4573 13.9368 51.7729 13.9367 -54.6266 GPRESSAVG: 2559800 35.4983 -29.7762 51.3542 -36.0628 59.014 13.7309 50.3776 13.1113 -55.7571 TIMING: 2559800 CPU: 7714.13, 0.00300876/step Wall: 7714.13, 0.00300876/step, 2.03944 hours remaining, 209.460938 MB of memory in use. ENERGY: 2559800 786.2798 2080.7762 1942.0459 115.2871 -206286.4280 17824.2652 0.0000 0.0000 33922.1992 -149615.5746 296.2510 -183537.7738 -149525.4530 297.4769 12.7180 44.6370 557385.6438 12.7274 12.9184 PRESSURE: 2560000 13.1162 21.2258 -132.351 21.227 -93.8162 85.4533 -132.352 85.4532 -93.697 GPRESSURE: 2560000 -9.78984 -14.6413 -128.839 39.6807 16.3011 58.5337 -11.8915 87.1669 -95.3716 PRESSAVG: 2560000 -46.8876 41.6399 -57.0022 41.64 -13.6195 -0.114007 -57.0021 -0.11407 39.1035 GPRESSAVG: 2560000 -48.8678 40.5065 -57.9278 43.3155 -13.301 -0.116676 -55.3822 0.170153 40.8073 TIMING: 2560000 CPU: 7714.73, 0.00303647/step Wall: 7714.73, 0.00303647/step, 2.05805 hours remaining, 209.460938 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: 2560000 726.5504 2098.9227 1922.4648 106.4003 -206230.8532 17787.2820 0.0000 0.0000 33967.7490 -149621.4841 296.6488 -183589.2330 -149530.7435 296.9098 -58.1323 -29.6201 558363.6785 -7.1345 -7.1205 PRESSURE: 2560200 466.45 -54.6171 -43.3395 -54.6175 53.3315 -100.554 -43.3386 -100.554 243.001 GPRESSURE: 2560200 504.014 -73.2424 20.1751 -46.5051 120.374 -113.704 -27.1578 -79.2829 235.575 PRESSAVG: 2560200 37.1468 -1.08986 21.5234 -1.08991 13.807 -69.2148 21.5234 -69.2148 -4.35657 GPRESSAVG: 2560200 39.0234 -2.52231 22.8971 -0.381507 13.7855 -67.6407 21.8102 -70.2728 -6.49409 TIMING: 2560200 CPU: 7715.33, 0.00300001/step Wall: 7715.33, 0.00300001/step, 2.03318 hours remaining, 209.460938 MB of memory in use. ENERGY: 2560200 695.4049 2087.2932 1933.1180 105.4277 -206772.8315 18262.9745 0.0000 0.0000 34084.2402 -149604.3729 297.6661 -183688.6131 -149513.8643 298.0929 254.2610 286.6543 558017.3583 15.5324 15.4383 LDB: ============= START OF LOAD BALANCING ============== 7718.85 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7718.85 LDB: =============== DONE WITH MIGRATION ================ 7718.85 LDB: ============= START OF LOAD BALANCING ============== 7719.15 LDB: Largest compute 4801 load 0.025089 is 21.2% of average load 0.118104 LDB: Average compute 0.001714 is 1.5% of average load 0.118104 LDB: TIME 7719.16 LOAD: AVG 0.118104 MAX 0.205309 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 212.152 MB LDB: TIME 7719.16 LOAD: AVG 0.118104 MAX 0.205309 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 212.355 MB LDB: TIME 7719.16 LOAD: AVG 0.118104 MAX 0.205309 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 212.355 MB LDB: ============== END OF LOAD BALANCING =============== 7719.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7719.16 PRESSURE: 2560400 -124.567 14.1368 -81.6217 14.1359 -0.188878 -84.0325 -81.6213 -84.0319 -77.2909 GPRESSURE: 2560400 -89.1141 50.7963 -65.5035 22.0689 49.5942 28.0458 -136.099 -128.288 -64.4348 PRESSAVG: 2560400 28.501 45.8098 2.09088 45.8097 -6.44042 -0.990624 2.09098 -0.990501 11.118 GPRESSAVG: 2560400 28.1758 45.5953 2.65261 45.5252 -7.16341 -2.92492 0.373071 -0.353509 12.251 TIMING: 2560400 CPU: 7715.95, 0.00305746/step Wall: 7715.95, 0.00305746/step, 2.07194 hours remaining, 209.625000 MB of memory in use. ENERGY: 2560400 747.1014 2080.6391 1936.6425 117.9295 -206613.9966 17817.3949 0.0000 0.0000 34366.4157 -149547.8735 300.1305 -183914.2892 -149453.5187 297.7189 -67.3489 -34.6516 557403.4438 11.0595 11.0878 PRESSURE: 2560600 -22.4478 -88.0475 -146.212 -88.0475 -178.065 53.0519 -146.212 53.0531 -233.875 GPRESSURE: 2560600 -17.154 -159.728 -219.788 -119.093 -126.378 41.933 -9.66846 24.241 -198.351 PRESSAVG: 2560600 -9.49692 -49.63 0.935366 -49.63 -41.2523 5.76127 0.935305 5.76137 7.90447 GPRESSAVG: 2560600 -10.1006 -50.7249 0.415546 -47.3428 -40.6726 6.3257 0.781296 6.06694 7.58753 TIMING: 2560600 CPU: 7716.54, 0.00298556/step Wall: 7716.54, 0.00298556/step, 2.02305 hours remaining, 209.769531 MB of memory in use. ENERGY: 2560600 805.8725 2079.9633 1938.0657 112.9420 -206326.7476 17735.6968 0.0000 0.0000 34167.9089 -149486.2985 298.3968 -183654.2074 -149385.2969 298.6859 -144.7958 -113.9610 556987.8672 -14.2816 -14.3952 PRESSURE: 2560800 159.599 -44.7136 97.7087 -44.7151 -88.0802 20.5362 97.7083 20.5353 -81.3284 GPRESSURE: 2560800 211.861 -42.0064 8.06088 -68.0881 -65.6918 21.5683 133.094 34.5398 -58.1982 PRESSAVG: 2560800 16.357 14.5477 -24.0811 14.5477 6.62236 11.6253 -24.081 11.6253 6.43886 GPRESSAVG: 2560800 16.1966 14.3689 -23.2538 14.7068 5.03229 12.3645 -23.7511 11.2892 7.86372 TIMING: 2560800 CPU: 7717.14, 0.00296911/step Wall: 7717.14, 0.00296911/step, 2.01173 hours remaining, 209.972656 MB of memory in use. ENERGY: 2560800 757.7919 2068.5940 1961.3346 113.8155 -206613.9915 17925.4610 0.0000 0.0000 34306.8612 -149480.1334 299.6104 -183786.9946 -149376.9780 298.2250 -3.2697 29.3238 557174.3499 9.8061 9.6975 PRESSURE: 2561000 -159.267 0.180677 -193.151 0.18088 -246.897 -124.905 -193.151 -124.905 -89.4367 GPRESSURE: 2561000 -120.449 -53.6681 -255.583 36.9369 -187.985 -73.3698 -104.874 -200.183 -87.005 PRESSAVG: 2561000 -27.3127 11.3187 4.72242 11.3187 42.2869 -11.8923 4.72232 -11.8924 -24.0868 GPRESSAVG: 2561000 -27.537 14.6464 4.20884 8.98297 42.7022 -12.0088 6.91738 -10.8209 -24.625 TIMING: 2561000 CPU: 7717.73, 0.00297209/step Wall: 7717.73, 0.00297209/step, 2.01359 hours remaining, 209.972656 MB of memory in use. ENERGY: 2561000 713.3403 2130.9348 1967.0217 123.5138 -206204.1765 17626.6047 0.0000 0.0000 34190.3237 -149452.4376 298.5926 -183642.7613 -149355.7944 298.6443 -165.2002 -131.8131 558321.3699 -3.0375 -3.1533 PRESSURE: 2561200 95.3896 -22.2497 -101.813 -22.2512 -210.884 -262.528 -101.812 -262.527 -46.7518 GPRESSURE: 2561200 94.92 -70.4555 -68.8784 -15.1525 -118.079 -240.009 -209.672 -265.834 -36.4907 PRESSAVG: 2561200 4.16034 16.0813 -51.4504 16.0814 -20.3073 -38.7207 -51.4504 -38.7208 18.9828 GPRESSAVG: 2561200 4.7229 14.5068 -50.3136 15.357 -19.7453 -39.251 -53.8059 -38.6912 18.3588 TIMING: 2561200 CPU: 7718.33, 0.00300697/step Wall: 7718.33, 0.00300697/step, 2.03706 hours remaining, 209.972656 MB of memory in use. ENERGY: 2561200 784.8190 2099.1520 1945.4444 114.4821 -206627.0206 17990.3470 0.0000 0.0000 34267.2646 -149425.5114 299.2645 -183692.7760 -149339.0510 298.5250 -54.0822 -19.8833 557632.9002 0.9453 1.1121 PRESSURE: 2561400 -262.96 -8.75678 -47.6806 -8.75615 240.47 10.8359 -47.6805 10.8357 -274.999 GPRESSURE: 2561400 -254.472 72.2875 -19.4566 -53.7178 275.757 67.4325 -87.9532 -8.09036 -216.206 PRESSAVG: 2561400 -16.4669 36.6591 -11.27 36.6591 -37.985 -70.3689 -11.27 -70.369 4.13538 GPRESSAVG: 2561400 -16.162 36.5396 -10.7892 38.1793 -38.1192 -70.3767 -12.0524 -72.004 4.42571 TIMING: 2561400 CPU: 7718.93, 0.00300115/step Wall: 7718.93, 0.00300115/step, 2.03294 hours remaining, 209.972656 MB of memory in use. ENERGY: 2561400 731.6350 2108.5309 1928.4641 111.1362 -205956.3860 17512.7817 0.0000 0.0000 34152.6420 -149411.1959 298.2635 -183563.8380 -149308.8212 298.4149 -99.1629 -64.9733 555734.6574 -16.7722 -16.6185 PRESSURE: 2561600 48.0035 -118.295 -28.2455 -118.293 -56.886 2.5676 -28.245 2.56716 -224.138 GPRESSURE: 2561600 66.7055 -147.86 -36.4738 -55.3138 -75.9765 -29.8542 70.3396 51.1836 -130.836 PRESSAVG: 2561600 40.9787 9.92107 34.5262 9.92106 5.18378 -26.8548 34.5261 -26.8549 -9.6385 GPRESSAVG: 2561600 40.5567 10.9079 34.7542 9.93445 5.65527 -30.3737 36.5837 -23.5967 -9.60955 TIMING: 2561600 CPU: 7719.54, 0.0030183/step Wall: 7719.54, 0.0030183/step, 2.04439 hours remaining, 209.972656 MB of memory in use. ENERGY: 2561600 755.4574 2118.4724 1947.3189 105.5316 -206007.8821 17569.9444 0.0000 0.0000 34126.0662 -149385.0911 298.0314 -183511.1573 -149288.8987 297.7538 -77.6735 -46.7024 556258.3027 12.1747 12.2008 PRESSURE: 2561800 75.0715 -156.871 -103.764 -156.871 72.9715 -28.5991 -103.764 -28.5977 23.8182 GPRESSURE: 2561800 124.236 -179.088 -206.878 -77.941 87.7491 -72.7329 72.8177 19.3179 52.5896 PRESSAVG: 2561800 -41.0313 -19.267 -24.6029 -19.267 20.1419 -25.7689 -24.6029 -25.769 37.6853 GPRESSAVG: 2561800 -41.362 -20.3026 -26.4364 -16.0527 20.6766 -21.1988 -24.9139 -28.8326 36.9662 TIMING: 2561800 CPU: 7720.14, 0.00301841/step Wall: 7720.14, 0.00301841/step, 2.0443 hours remaining, 209.972656 MB of memory in use. ENERGY: 2561800 745.6443 2118.2587 1936.2256 98.4519 -206147.6559 17756.6175 0.0000 0.0000 34120.5450 -149371.9128 297.9832 -183492.4578 -149271.9500 298.7108 57.2871 88.1917 557278.4853 5.5986 5.4269 PRESSURE: 2562000 164.256 -0.967693 53.7862 -0.967496 -122.158 142.779 53.7845 142.78 322.34 GPRESSURE: 2562000 198.185 58.1361 78.5366 -51.5856 -62.0862 213.128 10.7733 121.511 324.146 PRESSAVG: 2562000 77.4449 36.4226 -24.6241 36.4225 -20.7417 -33.2843 -24.624 -33.2843 -43.5228 GPRESSAVG: 2562000 78.418 34.1644 -25.6762 35.2843 -21.4806 -33.8542 -22.6549 -32.1808 -44.1213 TIMING: 2562000 CPU: 7720.75, 0.00303883/step Wall: 7720.75, 0.00303883/step, 2.05796 hours remaining, 209.972656 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: 2562000 726.1523 2187.4809 1976.0068 132.5049 -206374.0667 17889.3849 0.0000 0.0000 33946.8801 -149515.6568 296.4665 -183462.5369 -149418.6277 298.3585 121.4793 153.4149 556445.4612 4.3935 4.2720 PRESSURE: 2562200 -81.1463 145.329 169.976 145.329 -43.7185 -74.1951 169.976 -74.1935 -121.703 GPRESSURE: 2562200 -47.8972 116.39 132.519 179.423 -27.2523 59.9904 144.044 -171.441 -46.1674 PRESSAVG: 2562200 9.78739 -6.42662 -8.67134 -6.42654 -2.00058 -19.7647 -8.67131 -19.7647 0.322129 GPRESSAVG: 2562200 8.59443 -3.89454 -6.87714 -7.03839 -1.84165 -20.0255 -12.9312 -20.7227 1.73086 TIMING: 2562200 CPU: 7721.35, 0.0030129/step Wall: 7721.35, 0.0030129/step, 2.04023 hours remaining, 209.972656 MB of memory in use. ENERGY: 2562200 776.4241 2106.2475 1951.9027 103.3631 -206297.9632 17730.2992 0.0000 0.0000 34067.0843 -149562.6423 297.5163 -183629.7266 -149466.8640 298.0120 -82.1891 -40.4389 556882.8808 2.7030 2.8279 PRESSURE: 2562400 239.886 63.0585 51.0391 63.0593 -54.9332 225.887 51.0376 225.887 -243.393 GPRESSURE: 2562400 309.125 38.158 54.3194 12.7198 -30.522 132.732 22.6045 309.824 -243.144 PRESSAVG: 2562400 -36.979 9.1102 12.6786 9.11022 52.3145 3.11841 12.6786 3.11848 -63.537 GPRESSAVG: 2562400 -38.0698 10.6009 12.7793 8.81683 53.2435 2.84034 14.2098 4.24713 -63.9166 TIMING: 2562400 CPU: 7721.96, 0.00303368/step Wall: 7721.96, 0.00303368/step, 2.05414 hours remaining, 209.972656 MB of memory in use. ENERGY: 2562400 733.6345 2116.7737 1947.1921 115.2221 -206607.0579 17973.9673 0.0000 0.0000 34206.7730 -149513.4952 298.7363 -183720.2682 -149409.9125 297.9855 -19.4800 11.8197 557221.2266 -16.0671 -16.2477 PRESSURE: 2562600 -263.451 -110.13 -23.34 -110.129 1.61473 -182.599 -23.3386 -182.6 163.724 GPRESSURE: 2562600 -277.861 -189.055 29.0924 -40.4588 30.8108 -253.425 -23.6762 -168.625 246.167 PRESSAVG: 2562600 3.58758 -4.30239 -25.5401 -4.30236 -29.413 126.338 -25.54 126.338 65.7734 GPRESSAVG: 2562600 5.28233 -5.98294 -26.5923 -4.8851 -30.7984 125.059 -25.6513 125.402 65.9509 TIMING: 2562600 CPU: 7722.56, 0.00300972/step Wall: 7722.56, 0.00300972/step, 2.03775 hours remaining, 209.972656 MB of memory in use. ENERGY: 2562600 751.4881 2029.1402 1955.4252 98.1202 -206003.1574 17566.3743 0.0000 0.0000 33960.8497 -149641.7598 296.5885 -183602.6095 -149541.8810 297.6499 -32.7041 -0.2944 556283.9251 13.3160 13.4783 PRESSURE: 2562800 -153.774 38.676 89.1921 38.6755 -71.5111 105.618 89.1912 105.618 -213.51 GPRESSURE: 2562800 -190.29 -34.2903 47.7606 -6.72588 9.72821 102.189 97.119 123.686 -150.693 PRESSAVG: 2562800 -27.2564 -5.65448 -38.1884 -5.65458 -54.4843 23.3421 -38.1884 23.3421 89.086 GPRESSAVG: 2562800 -27.4846 -5.83616 -35.3432 -6.36234 -53.2839 24.4319 -38.9565 24.6467 88.2761 TIMING: 2562800 CPU: 7723.17, 0.00303372/step Wall: 7723.17, 0.00303372/step, 2.05383 hours remaining, 209.972656 MB of memory in use. ENERGY: 2562800 790.9789 2082.7241 1950.4462 103.5560 -206242.5342 17717.2924 0.0000 0.0000 33965.1773 -149632.3593 296.6263 -183597.5366 -149538.4345 297.5229 -146.2651 -110.4181 557496.5981 2.4484 2.5025 PRESSURE: 2563000 -428.907 -49.2389 101.581 -49.2383 74.9101 -160.203 101.583 -160.204 177.139 GPRESSURE: 2563000 -355.042 -11.2335 116.976 -22.7773 76.6335 -221.955 71.15 -179.755 194.897 PRESSAVG: 2563000 -74.7802 -5.12181 13.9007 -5.12178 25.8261 -17.719 13.9008 -17.7192 28.7931 GPRESSAVG: 2563000 -75.3247 -5.01272 12.1312 -4.05585 25.6682 -18.5703 15.3607 -17.6687 29.0024 TIMING: 2563000 CPU: 7723.78, 0.00305842/step Wall: 7723.78, 0.00305842/step, 2.07038 hours remaining, 209.972656 MB of memory in use. ENERGY: 2563000 759.6569 2120.3130 1946.7820 120.8074 -206271.5662 17628.2931 0.0000 0.0000 34263.1767 -149432.5371 299.2288 -183695.7138 -149341.5535 298.1904 -58.9526 -27.8372 557065.9365 -6.7204 -6.8847 PRESSURE: 2563200 189.836 -32.3729 106.793 -32.3734 -226.282 21.6966 106.794 21.6969 -59.8379 GPRESSURE: 2563200 212.261 -13.9617 106.337 -72.2141 -224.723 28.5155 98.0778 44.398 27.3004 PRESSAVG: 2563200 40.0619 29.3928 -1.68347 29.3929 -117.939 30.094 -1.68353 30.0939 86.6497 GPRESSAVG: 2563200 39.2025 27.5438 -3.21032 30.3514 -117.116 31.2083 -1.30532 28.0041 87.0528 TIMING: 2563200 CPU: 7724.38, 0.0030342/step Wall: 7724.38, 0.0030342/step, 2.05382 hours remaining, 209.972656 MB of memory in use. ENERGY: 2563200 745.0961 2101.1480 1933.5299 119.7596 -206099.3316 17609.1168 0.0000 0.0000 34220.8458 -149369.8353 298.8592 -183590.6811 -149271.9543 298.9549 -32.0945 4.9463 556768.5324 2.9240 3.0466 PRESSURE: 2563400 73.9195 51.3327 49.3833 51.3326 190.697 35.318 49.3832 35.3171 64.0559 GPRESSURE: 2563400 121.644 -1.31183 17.3456 71.843 204.386 31.8076 12.638 139.754 103.044 PRESSAVG: 2563400 39.7709 -56.7941 19.5606 -56.7941 -10.4945 -20.251 19.5605 -20.2511 -15.3789 GPRESSAVG: 2563400 40.4091 -55.1349 20.9421 -58.9378 -10.9045 -20.6538 19.8799 -17.1583 -15.5295 TIMING: 2563400 CPU: 7724.98, 0.00299459/step Wall: 7724.98, 0.00299459/step, 2.02684 hours remaining, 209.972656 MB of memory in use. ENERGY: 2563400 713.4868 2091.1044 1969.9363 105.9609 -206418.0206 17966.5088 0.0000 0.0000 34281.0788 -149289.9447 299.3852 -183571.0235 -149191.9128 298.8838 109.5575 143.0248 556098.8021 4.6325 4.6583 PRESSURE: 2563600 -166.602 233.443 -203.501 233.443 -235.99 111.718 -203.502 111.719 23.3273 GPRESSURE: 2563600 -137.874 150.285 -112.778 260.463 -175.039 148.936 -238.028 77.2452 35.7353 PRESSAVG: 2563600 7.95134 5.25736 -13.2489 5.25737 -42.2324 -35.8926 -13.2489 -35.8925 13.8404 GPRESSAVG: 2563600 9.29046 6.18779 -11.1987 6.84714 -43.1893 -35.3635 -12.5519 -38.1902 13.7517 TIMING: 2563600 CPU: 7725.58, 0.00300012/step Wall: 7725.58, 0.00300012/step, 2.03042 hours remaining, 209.972656 MB of memory in use. ENERGY: 2563600 762.6730 2118.3696 1935.1792 112.4045 -205929.5109 17683.7488 0.0000 0.0000 34157.6541 -149159.4817 298.3073 -183317.1358 -149052.8680 299.2844 -126.4214 -92.3926 558499.9738 -6.8136 -6.7157 PRESSURE: 2563800 -125.258 -190.143 -105.018 -190.143 45.9097 -11.2182 -105.016 -11.2174 129.113 GPRESSURE: 2563800 -14.6198 -158.332 -124.381 -162.855 20.7159 -34.4867 -50.1505 -21.7831 141.662 PRESSAVG: 2563800 138.442 -0.21044 -24.1567 -0.210396 -56.0736 3.10236 -24.1567 3.1024 -30.7875 GPRESSAVG: 2563800 136.703 -0.517191 -24.8896 -0.325343 -55.5653 2.95197 -24.1488 3.77449 -30.3771 TIMING: 2563800 CPU: 7726.18, 0.0029788/step Wall: 7726.18, 0.0029788/step, 2.01582 hours remaining, 209.972656 MB of memory in use. ENERGY: 2563800 728.7886 2138.5990 1930.3309 121.1469 -206080.1379 17629.3562 0.0000 0.0000 34303.8226 -149228.0938 299.5838 -183531.9164 -149130.0027 299.2457 16.5881 49.2527 556530.9348 17.1935 16.9200 PRESSURE: 2564000 -22.4626 31.0626 -5.94076 31.0623 -185.233 -180.635 -5.94208 -180.634 -172.312 GPRESSURE: 2564000 -13.5118 5.43644 47.3296 31.0259 -117.895 -156.214 -93.663 -138.929 -151.795 PRESSAVG: 2564000 13.5639 50.9832 -7.90209 50.9832 -19.8601 -29.2386 -7.9021 -29.2387 16.7192 GPRESSAVG: 2564000 14.5615 50.3423 -7.25532 51.8162 -19.9767 -28.956 -10.4288 -29.6689 16.2977 TIMING: 2564000 CPU: 7726.78, 0.00301865/step Wall: 7726.78, 0.00301865/step, 2.04262 hours remaining, 209.972656 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: 2564000 767.6304 2095.5345 1945.9324 116.0151 -206030.8050 17612.5003 0.0000 0.0000 34215.3845 -149277.8078 298.8115 -183493.1923 -149182.2806 298.8017 -126.6693 -94.4005 557505.9075 3.4743 3.6275 PRESSURE: 2564200 -229.151 9.1929 -101.121 9.19274 -197.418 -66.9726 -101.124 -66.9726 -46.3769 GPRESSURE: 2564200 -150.871 -25.9757 -110.707 10.8673 -144.992 -53.8196 -172.638 -145.339 -80.8251 PRESSAVG: 2564200 34.3555 42.5012 -17.201 42.5012 -47.2277 10.9237 -17.201 10.9238 29.5385 GPRESSAVG: 2564200 34.8766 42.8794 -19.8286 41.4529 -47.2421 12.1774 -16.9912 10.0458 28.6155 TIMING: 2564200 CPU: 7727.39, 0.00303201/step Wall: 7727.39, 0.00303201/step, 2.05149 hours remaining, 209.972656 MB of memory in use. ENERGY: 2564200 728.1911 2100.7909 1961.2525 112.8514 -206177.1777 17677.6487 0.0000 0.0000 34304.3177 -149292.1253 299.5881 -183596.4430 -149205.0757 298.8535 -157.6487 -125.5630 557435.8164 5.5554 5.4167 LDB: ============= START OF LOAD BALANCING ============== 7730.91 LDB: ============== END OF LOAD BALANCING =============== 7730.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7730.91 LDB: ============= START OF LOAD BALANCING ============== 7731.21 LDB: Largest compute 4794 load 0.025521 is 21.6% of average load 0.117962 LDB: Average compute 0.001717 is 1.5% of average load 0.117962 LDB: TIME 7731.21 LOAD: AVG 0.117962 MAX 0.206568 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.895 MB LDB: TIME 7731.21 LOAD: AVG 0.117962 MAX 0.206568 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.895 MB LDB: TIME 7731.21 LOAD: AVG 0.117962 MAX 0.206568 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.895 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7731.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7731.22 PRESSURE: 2564400 -243.482 28.5649 -87.5074 28.5658 -514.225 -114.841 -87.5073 -114.84 -259.081 GPRESSURE: 2564400 -223.47 6.08223 -153.843 43.2629 -457.484 -83.1651 -90.5819 -154.957 -237.306 PRESSAVG: 2564400 11.9765 -6.96183 28.9295 -6.9618 -15.897 12.4592 28.9295 12.4593 12.1636 GPRESSAVG: 2564400 12.0815 -5.05296 30.4584 -7.55062 -16.2714 12.0349 29.3523 12.8037 12.3 TIMING: 2564400 CPU: 7728, 0.00306644/step Wall: 7728, 0.00306644/step, 2.07462 hours remaining, 209.316406 MB of memory in use. ENERGY: 2564400 719.7962 2063.2885 1948.0468 109.1472 -205710.4370 17473.6653 0.0000 0.0000 34037.1538 -149359.3392 297.2549 -183396.4930 -149264.7488 298.4675 -338.9294 -306.0867 560361.4574 2.7477 2.7034 PRESSURE: 2564600 2.02344 48.3482 -21.938 48.3485 54.6496 183.975 -21.937 183.973 327.106 GPRESSURE: 2564600 27.3073 28.0196 -6.61364 78.9987 119.44 186.092 -36.1833 147.149 332.682 PRESSAVG: 2564600 11.1561 8.95662 -21.2751 8.95658 0.964532 39.6554 -21.2751 39.6554 30.8131 GPRESSAVG: 2564600 9.60035 7.55654 -21.8948 7.48385 2.08555 39.7044 -20.0863 40.5935 31.5371 TIMING: 2564600 CPU: 7728.6, 0.00300213/step Wall: 7728.6, 0.00300213/step, 2.03094 hours remaining, 209.714844 MB of memory in use. ENERGY: 2564600 734.3221 2084.0971 1948.9905 115.9635 -206515.8911 17982.2561 0.0000 0.0000 34525.4092 -149124.8527 301.5190 -183650.2619 -149030.3228 299.1729 127.9265 159.8099 556931.4031 14.3112 14.4077 PRESSURE: 2564800 -40.4987 43.5394 38.885 43.5379 -54.2905 -57.7978 38.8847 -57.7979 69.4606 GPRESSURE: 2564800 -7.38995 14.538 -11.0878 -19.9725 13.3977 -58.3082 12.4548 -59.775 67.7367 PRESSAVG: 2564800 -43.9618 -10.8489 7.57537 -10.849 -2.3158 1.97952 7.57543 1.97933 39.8795 GPRESSAVG: 2564800 -42.5511 -10.7842 7.58345 -10.1199 -2.47207 0.718003 7.34926 1.1179 38.5727 TIMING: 2564800 CPU: 7729.21, 0.00301977/step Wall: 7729.21, 0.00301977/step, 2.04271 hours remaining, 209.714844 MB of memory in use. ENERGY: 2564800 696.6802 2101.9460 1977.6966 131.6474 -205912.1657 17636.7994 0.0000 0.0000 34289.2528 -149078.1433 299.4566 -183367.3961 -148988.6872 299.5951 -8.4429 24.5815 556986.7203 -2.1327 -2.1501 PRESSURE: 2565000 310.016 123.107 6.14727 123.107 227.013 79.396 6.1472 79.3947 3.84128 GPRESSURE: 2565000 356.33 142.453 71.7687 26.5107 213.896 71.7819 -2.88377 138.059 75.2598 PRESSAVG: 2565000 -3.95472 -16.2039 -4.13166 -16.2039 6.98148 19.2568 -4.13162 19.257 -2.02361 GPRESSAVG: 2565000 -4.27698 -15.0057 -4.45575 -15.7203 6.38232 22.8631 -3.54189 18.0478 -1.23532 TIMING: 2565000 CPU: 7729.82, 0.00307232/step Wall: 7729.82, 0.00307232/step, 2.07809 hours remaining, 209.714844 MB of memory in use. ENERGY: 2565000 725.1482 2123.0888 1957.1104 124.2190 -206641.2464 18249.0209 0.0000 0.0000 34397.6827 -149064.9764 300.4035 -183462.6591 -148964.1542 300.1287 180.2901 215.1618 557279.1713 0.3344 0.2900 PRESSURE: 2565200 6.73797 47.5053 -184.66 47.5059 150.523 -145.601 -184.66 -145.6 -65.7543 GPRESSURE: 2565200 82.8639 -30.338 -214.878 2.49806 137.247 -145.761 -179.282 -109.237 -28.4925 PRESSAVG: 2565200 17.2311 33.6638 -8.34196 33.6638 20.2348 -18.5997 -8.34197 -18.5997 -32.7848 GPRESSAVG: 2565200 15.9106 31.9599 -8.61346 32.1186 22.215 -20.9083 -9.1867 -16.8616 -33.1342 TIMING: 2565200 CPU: 7730.43, 0.00304307/step Wall: 7730.43, 0.00304307/step, 2.05813 hours remaining, 209.714844 MB of memory in use. ENERGY: 2565200 764.8842 2112.5130 1952.9917 102.5739 -206177.2015 17945.0428 0.0000 0.0000 34233.4311 -149065.7648 298.9691 -183299.1959 -148966.0539 299.7696 30.5021 63.8727 557787.3813 1.5604 1.6638 PRESSURE: 2565400 -68.1812 -68.3899 35.0894 -68.3886 162.798 -22.9602 35.0889 -22.9606 -23.0291 GPRESSURE: 2565400 -66.1594 -93.3132 1.58842 6.33748 192.58 -37.949 17.8319 -2.82044 48.2748 PRESSAVG: 2565400 -4.94612 4.78411 27.5523 4.78403 13.0867 26.4928 27.5523 26.4927 21.9667 GPRESSAVG: 2565400 -3.79478 5.98224 29.0072 6.86257 11.3643 23.7718 29.4654 26.6325 22.2329 TIMING: 2565400 CPU: 7731.03, 0.00301162/step Wall: 7731.03, 0.00301162/step, 2.03669 hours remaining, 209.714844 MB of memory in use. ENERGY: 2565400 759.5812 2102.9751 1954.1854 113.7762 -206292.1550 17990.6814 0.0000 0.0000 34177.6249 -149193.3308 298.4817 -183370.9557 -149098.0288 299.7816 23.8626 58.2319 558416.3462 10.0357 9.9341 PRESSURE: 2565600 19.5165 111.351 34.2522 111.352 -196.964 -61.0384 34.2523 -61.0389 75.8426 GPRESSURE: 2565600 129.654 95.1573 -2.09898 170.299 -180.433 37.3965 77.1059 -56.6589 55.7978 PRESSAVG: 2565600 47.336 25.7512 -57.6177 25.7513 -88.8014 -24.2696 -57.6177 -24.2695 8.81944 GPRESSAVG: 2565600 46.6117 24.0956 -58.4725 24.7679 -89.0356 -21.458 -59.0291 -24.7585 10.1843 TIMING: 2565600 CPU: 7731.63, 0.00298689/step Wall: 7731.63, 0.00298689/step, 2.0198 hours remaining, 209.714844 MB of memory in use. ENERGY: 2565600 736.8450 2066.3498 1936.7804 107.3391 -206089.3726 17782.5079 0.0000 0.0000 34353.4293 -149106.1211 300.0170 -183459.5504 -149008.6838 299.1116 -33.8682 1.6729 559418.5140 -10.8820 -10.7465 PRESSURE: 2565800 133.484 -133.053 -105.929 -133.055 -88.1978 -112.24 -105.929 -112.239 208.295 GPRESSURE: 2565800 149.487 -147.185 -136.574 -129.437 -53.3353 -102.522 -66.6187 -207.559 249.032 PRESSAVG: 2565800 30.4799 -11.2203 -43.3643 -11.2204 -60.5333 -62.251 -43.3642 -62.251 66.7815 GPRESSAVG: 2565800 30.2284 -8.83796 -44.5772 -11.7638 -60.0599 -61.3347 -44.9319 -62.9297 66.1684 TIMING: 2565800 CPU: 7732.23, 0.00300812/step Wall: 7732.23, 0.00300812/step, 2.03399 hours remaining, 209.714844 MB of memory in use. ENERGY: 2565800 702.2122 2046.1688 1908.9866 97.7413 -206249.2459 18077.3286 0.0000 0.0000 34393.6621 -149023.1463 300.3684 -183416.8084 -148919.2458 300.0920 84.5270 115.0610 557804.3078 12.2427 12.1123 PRESSURE: 2566000 -105.433 24.1334 -177.997 24.1348 -72.8169 8.55668 -177.996 8.55767 -162.944 GPRESSURE: 2566000 -50.1939 -3.8205 -160.844 71.7155 -58.1473 -43.9186 -207.414 51.1713 -134.122 PRESSAVG: 2566000 -37.9197 29.7181 -30.5092 29.7182 -2.62129 -30.7629 -30.509 -30.7629 30.6732 GPRESSAVG: 2566000 -37.6239 28.8255 -30.5053 31.6904 -1.35998 -31.5317 -30.718 -30.8486 29.316 TIMING: 2566000 CPU: 7732.83, 0.00300061/step Wall: 7732.83, 0.00300061/step, 2.02875 hours remaining, 209.714844 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: 2566000 716.1857 2096.0937 1945.6737 119.0427 -205656.5701 17487.4393 0.0000 0.0000 34114.1890 -149177.9460 297.9277 -183292.1350 -149081.5891 299.5452 -113.7314 -80.8211 557196.5601 -3.2893 -3.2226 PRESSURE: 2566200 -164.14 -1.22558 79.6208 -1.22576 104.997 -12.8402 79.6207 -12.8391 -323.848 GPRESSURE: 2566200 -71.3315 31.9754 120.401 26.9132 109.444 -53.766 55.9818 11.7253 -324.319 PRESSAVG: 2566200 5.7958 -27.9354 -24.2922 -27.9354 46.5909 17.5666 -24.2922 17.5667 -2.55953 GPRESSAVG: 2566200 5.52383 -26.3835 -24.5676 -29.3088 45.1346 17.104 -22.9645 20.2701 -1.38275 TIMING: 2566200 CPU: 7733.43, 0.00300748/step Wall: 7733.43, 0.00300748/step, 2.03323 hours remaining, 209.714844 MB of memory in use. ENERGY: 2566200 752.5937 2070.8591 1926.2147 120.2841 -205941.5439 17700.6226 0.0000 0.0000 34216.8722 -149154.0975 298.8245 -183370.9697 -149058.7886 298.9302 -127.6638 -95.4020 557846.3156 16.6091 16.4252 PRESSURE: 2566400 -138.916 96.6458 167.154 96.6451 -212.581 23.4303 167.153 23.4294 -207.331 GPRESSURE: 2566400 -111.967 -28.0776 117.964 107.677 -199.129 -32.6834 156.308 35.2651 -149.585 PRESSAVG: 2566400 56.3857 28.9504 1.03369 28.9504 2.17737 64.778 1.03371 64.7781 -59.8602 GPRESSAVG: 2566400 58.0474 26.9273 2.66803 29.2061 1.2243 64.8173 0.423706 65.3875 -60.1662 TIMING: 2566400 CPU: 7734.03, 0.00298136/step Wall: 7734.03, 0.00298136/step, 2.0154 hours remaining, 209.714844 MB of memory in use. ENERGY: 2566400 742.8580 2149.4501 1907.2130 101.9195 -205519.9966 17459.9441 0.0000 0.0000 34170.6103 -148988.0017 298.4204 -183158.6120 -148893.9874 299.3445 -186.2760 -153.5603 558046.3596 -0.4324 -0.2982 PRESSURE: 2566600 -30.7682 -94.3347 11.4793 -94.3352 429.558 146.294 11.4795 146.294 -80.9359 GPRESSURE: 2566600 127.58 -97.8742 25.482 -90.9335 329.626 186.732 -46.6169 192.9 -41.2192 PRESSAVG: 2566600 18.0396 18.8309 -32.7396 18.8309 32.0199 79.6859 -32.7396 79.6859 -33.679 GPRESSAVG: 2566600 16.5765 19.5601 -35.4033 18.0932 31.8749 80.8101 -31.6109 76.0579 -32.4924 TIMING: 2566600 CPU: 7734.63, 0.00301506/step Wall: 7734.63, 0.00301506/step, 2.03801 hours remaining, 209.714844 MB of memory in use. ENERGY: 2566600 768.0768 2006.1612 1922.0024 116.0174 -206356.2668 18014.1913 0.0000 0.0000 34573.4543 -148956.3635 301.9386 -183529.8177 -148853.7152 299.4160 105.9512 138.6623 557426.6427 5.4602 5.3197 PRESSURE: 2566800 -101.569 43.5434 105.79 43.5437 83.9336 -66.4624 105.791 -66.4642 -176.259 GPRESSURE: 2566800 -61.6556 96.5871 139.958 19.3587 91.9531 -28.8348 114.006 -40.8506 -116.22 PRESSAVG: 2566800 -18.6143 40.2734 -22.5022 40.2734 21.2049 30.8851 -22.5023 30.885 -7.97075 GPRESSAVG: 2566800 -18.0278 38.2 -19.2706 41.8034 20.9821 28.3145 -22.8505 32.9671 -8.31895 TIMING: 2566800 CPU: 7735.24, 0.00304186/step Wall: 7735.24, 0.00304186/step, 2.05596 hours remaining, 209.714844 MB of memory in use. ENERGY: 2566800 759.3000 2069.7847 1956.1236 123.7529 -206128.0434 17744.1814 0.0000 0.0000 34320.9974 -149153.9035 299.7338 -183474.9008 -149059.0619 299.6261 -64.6313 -28.6408 558258.5864 -1.7934 -1.7882 PRESSURE: 2567000 -128.081 -115.955 169.232 -115.955 229.377 -41.4458 169.233 -41.446 291.301 GPRESSURE: 2567000 -116.406 -27.5292 191.959 -166.439 270.635 -82.1592 135.537 -6.9529 345.251 PRESSAVG: 2567000 -36.7272 -42.3753 -3.28714 -42.3752 27.2159 -0.0342662 -3.2871 -0.0343499 25.3859 GPRESSAVG: 2567000 -36.5236 -39.1068 -2.89621 -45.2153 29.2181 1.11841 -5.30319 -0.576915 23.6497 TIMING: 2567000 CPU: 7735.84, 0.00301074/step Wall: 7735.84, 0.00301074/step, 2.03476 hours remaining, 209.714844 MB of memory in use. ENERGY: 2567000 725.0394 2101.2988 1906.5674 112.5388 -206259.3162 17960.7084 0.0000 0.0000 34209.9548 -149243.2087 298.7640 -183453.1635 -149149.6841 298.8386 130.8657 166.4932 557975.5360 5.2915 5.4481 PRESSURE: 2567200 -171.554 -85.6981 74.3194 -85.6989 -101.66 65.8301 74.3205 65.8304 168.37 GPRESSURE: 2567200 -129.176 -71.2983 80.6086 -105.176 -116.692 78.9586 98.9338 -0.212942 225.027 PRESSAVG: 2567200 -29.2424 -0.808515 -7.61739 -0.808534 5.52919 36.7742 -7.61735 36.7742 29.7067 GPRESSAVG: 2567200 -29.8978 -0.23143 -8.137 1.54125 3.3971 37.5385 -6.99547 36.057 31.9674 TIMING: 2567200 CPU: 7736.45, 0.00303362/step Wall: 7736.45, 0.00303362/step, 2.05006 hours remaining, 209.714844 MB of memory in use. ENERGY: 2567200 722.3383 2109.4012 1922.2601 120.6549 -205675.8493 17613.1127 0.0000 0.0000 34228.7561 -148959.3261 298.9282 -183188.0822 -148862.0309 299.4315 -34.9480 -6.9471 558307.2380 1.9978 1.8222 PRESSURE: 2567400 -109.218 120.422 -150.137 120.421 -73.4928 40.2652 -150.135 40.2636 -24.8204 GPRESSURE: 2567400 -72.2294 164.814 -79.7514 63.6143 -59.9517 -41.4796 -154.319 141.694 25.5204 PRESSAVG: 2567400 -50.5525 13.3651 7.84695 13.365 36.6034 48.2848 7.847 48.2848 53.2431 GPRESSAVG: 2567400 -50.1113 10.9237 5.8448 12.4833 38.0291 48.5596 7.60774 47.1946 52.1836 TIMING: 2567400 CPU: 7737.06, 0.00303598/step Wall: 7737.06, 0.00303598/step, 2.05148 hours remaining, 209.714844 MB of memory in use. ENERGY: 2567400 765.2230 2049.7515 1954.0483 105.4670 -205901.2609 17716.8845 0.0000 0.0000 34494.8253 -148815.0613 301.2519 -183309.8866 -148722.2956 300.1415 -69.1771 -35.5536 557534.3642 13.0980 13.3672 PRESSURE: 2567600 200.972 20.8845 87.9797 20.8844 -62.681 -89.0266 87.9802 -89.0257 318.518 GPRESSURE: 2567600 226.227 6.24434 -6.57815 51.5423 4.52269 -88.5027 27.9616 -53.074 319.001 PRESSAVG: 2567600 -59.8827 52.0269 -20.2938 52.0269 -47.6503 31.4442 -20.2938 31.4442 67.5826 GPRESSAVG: 2567600 -58.9527 51.6721 -20.5716 50.7256 -49.074 31.3998 -17.3827 32.798 67.901 TIMING: 2567600 CPU: 7737.66, 0.00300777/step Wall: 7737.66, 0.00300777/step, 2.03225 hours remaining, 209.714844 MB of memory in use. ENERGY: 2567600 737.0107 2060.4642 1935.4266 115.4001 -206178.0595 17859.2579 0.0000 0.0000 34640.8302 -148829.6699 302.5270 -183470.5001 -148733.8463 300.1858 152.2697 183.2504 558351.7125 -13.3168 -13.3752 PRESSURE: 2567800 -133.886 21.7981 207.896 21.7994 5.85368 -10.8643 207.895 -10.8651 153.044 GPRESSURE: 2567800 -89.7723 62.6028 132.353 42.3426 84.746 -119.304 209.013 -2.72593 131.48 PRESSAVG: 2567800 35.6244 -18.4752 33.2355 -18.4752 39.1503 31.3322 33.2355 31.3321 -5.43393 GPRESSAVG: 2567800 34.5128 -16.8004 35.5014 -17.9966 40.7929 31.0688 29.9043 31.6814 -6.04184 TIMING: 2567800 CPU: 7738.26, 0.00302116/step Wall: 7738.26, 0.00302116/step, 2.04113 hours remaining, 209.714844 MB of memory in use. ENERGY: 2567800 784.3357 2048.0585 1950.8331 111.5350 -205881.1539 17707.0791 0.0000 0.0000 34439.9214 -148839.3911 300.7724 -183279.3125 -148743.9447 300.5937 8.3372 42.1512 557735.6249 23.1136 23.0880 PRESSURE: 2568000 176.181 166.367 28.844 166.367 100.03 -76.0367 28.8438 -76.0366 162.508 GPRESSURE: 2568000 164.36 194.192 -32.0096 102.118 171.663 -149.626 24.8391 10.8914 198.842 PRESSAVG: 2568000 -16.023 13.4103 -5.3021 13.4102 -28.1011 9.69531 -5.30219 9.69521 34.2891 GPRESSAVG: 2568000 -15.5518 12.4565 -6.49079 14.0673 -28.1141 8.58773 -3.17661 11.475 33.7196 TIMING: 2568000 CPU: 7738.86, 0.0030097/step Wall: 7738.86, 0.0030097/step, 2.03322 hours remaining, 209.714844 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: 2568000 758.6258 2121.3822 1958.4654 120.7441 -206278.5141 18084.9363 0.0000 0.0000 34364.9974 -148869.3629 300.1181 -183234.3603 -148772.3212 300.5111 146.2396 178.2885 557150.8661 -3.2784 -3.3154 PRESSURE: 2568200 29.0555 -312.563 112.307 -312.563 104.587 -114.773 112.307 -114.773 -166.033 GPRESSURE: 2568200 74.2316 -266.183 150.267 -256.339 154.966 -192.234 63.0141 -35.5754 -166.532 PRESSAVG: 2568200 33.0291 -39.3866 6.50234 -39.3866 -45.2975 -15.3306 6.50232 -15.3306 13.2971 GPRESSAVG: 2568200 32.6692 -38.652 5.27792 -40.5425 -46.1987 -14.4984 5.85974 -18.6275 14.2113 TIMING: 2568200 CPU: 7739.47, 0.003013/step Wall: 7739.47, 0.003013/step, 2.03528 hours remaining, 209.714844 MB of memory in use. ENERGY: 2568200 712.3210 2057.6446 1968.6788 119.2870 -206023.1565 17736.9072 0.0000 0.0000 34280.6894 -149147.6285 299.3818 -183428.3179 -149057.0103 300.0846 -10.7969 20.8887 559138.5579 0.3429 0.2273 LDB: ============= START OF LOAD BALANCING ============== 7742.99 LDB: ============== END OF LOAD BALANCING =============== 7742.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7742.99 LDB: ============= START OF LOAD BALANCING ============== 7743.29 LDB: Largest compute 4801 load 0.025199 is 21.4% of average load 0.117991 LDB: Average compute 0.001725 is 1.5% of average load 0.117991 LDB: TIME 7743.29 LOAD: AVG 0.117991 MAX 0.208308 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.941 MB LDB: TIME 7743.29 LOAD: AVG 0.117991 MAX 0.208308 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.941 MB LDB: TIME 7743.29 LOAD: AVG 0.117991 MAX 0.208308 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.941 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7743.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7743.3 PRESSURE: 2568400 80.8256 0.0126569 -51.5835 0.0117178 -57.9061 -65.2729 -51.584 -65.272 -173.303 GPRESSURE: 2568400 53.3047 -33.187 31.3817 -24.6396 32.3698 -14.9863 -42.985 -56.4239 -142.505 PRESSAVG: 2568400 -2.53563 -23.2738 17.0728 -23.2738 -22.0552 -60.5881 17.0727 -60.5882 -0.861468 GPRESSAVG: 2568400 -3.514 -25.2024 17.7473 -21.52 -20.9528 -59.2414 18.4664 -60.0784 -0.951531 TIMING: 2568400 CPU: 7740.08, 0.00307303/step Wall: 7740.08, 0.00307303/step, 2.07566 hours remaining, 208.031250 MB of memory in use. ENERGY: 2568400 756.3741 2013.4304 1947.8758 114.4211 -206106.6986 17851.7294 0.0000 0.0000 34556.7535 -148866.1144 301.7927 -183422.8679 -148764.8004 299.2815 -50.1278 -18.9435 559847.5579 -8.4841 -8.4728 PRESSURE: 2568600 -53.5961 -69.9157 66.3791 -69.9153 -15.4094 127.632 66.3788 127.631 -7.13928 GPRESSURE: 2568600 -88.4156 -9.89588 130.294 -57.3159 54.8658 25.7158 57.7782 196.548 53.4991 PRESSAVG: 2568600 6.04887 -28.1412 7.97681 -28.1412 -10.6597 -14.0043 7.97685 -14.0043 -3.81644 GPRESSAVG: 2568600 6.72724 -26.965 8.31316 -28.7364 -11.8257 -15.4235 5.68301 -13.1298 -2.95778 TIMING: 2568600 CPU: 7740.68, 0.00301257/step Wall: 7740.68, 0.00301257/step, 2.03466 hours remaining, 208.031250 MB of memory in use. ENERGY: 2568600 721.9569 2067.7670 1926.1575 106.3969 -205525.9150 17621.5557 0.0000 0.0000 34237.5061 -148844.5749 299.0047 -183082.0810 -148752.4992 300.0929 -25.3816 6.6498 558960.9524 -2.8091 -2.6854 PRESSURE: 2568800 211.521 36.8189 -62.4671 36.8184 217.344 -41.9071 -62.4657 -41.9084 -123.898 GPRESSURE: 2568800 223.914 40.5118 -32.7496 -22.6863 281.768 0.654152 -74.1994 -25.6671 -94.9278 PRESSAVG: 2568800 -16.0829 -41.9191 -13.3021 -41.9191 7.70293 33.7991 -13.302 33.7992 45.8818 GPRESSAVG: 2568800 -15.4527 -42.3961 -11.6806 -41.1038 8.91829 35.819 -12.0089 33.8198 44.2632 TIMING: 2568800 CPU: 7741.28, 0.00299339/step Wall: 7741.28, 0.00299339/step, 2.02154 hours remaining, 208.031250 MB of memory in use. ENERGY: 2568800 784.7655 2131.9705 1901.2895 120.1883 -206289.7399 18102.2804 0.0000 0.0000 34377.8412 -148871.4046 300.2302 -183249.2457 -148779.3117 300.2452 101.6554 136.9183 558687.6567 12.5006 12.5763 PRESSURE: 2569000 -31.8574 -31.3374 -46.7301 -31.336 6.98673 -120.237 -46.7319 -120.236 -88.9508 GPRESSURE: 2569000 65.8847 -46.7158 -54.2233 -6.10658 -9.62809 -93.2572 7.89898 -138.148 -65.3817 PRESSAVG: 2569000 -3.43278 -9.5584 -7.38473 -9.55844 42.7604 11.6505 -7.38477 11.6504 -52.7192 GPRESSAVG: 2569000 -2.57377 -11.3538 -9.44337 -7.28293 42.085 10.3835 -6.51623 11.229 -52.4449 TIMING: 2569000 CPU: 7741.88, 0.00299884/step Wall: 7741.88, 0.00299884/step, 2.02505 hours remaining, 208.031250 MB of memory in use. ENERGY: 2569000 736.3702 2043.1067 1917.2054 109.3740 -205997.2383 17797.0100 0.0000 0.0000 34316.3111 -149077.8609 299.6929 -183394.1720 -148983.1295 299.3290 -37.9405 -3.0417 558010.1489 -4.4639 -4.3112 PRESSURE: 2569200 167.759 -13.3801 -59.7435 -13.3797 281.876 170.5 -59.7451 170.499 405.575 GPRESSURE: 2569200 208.646 -20.1256 34.5328 -105.083 266.211 253.06 -124.26 134.35 479.461 PRESSAVG: 2569200 60.2604 -33.0158 -62.0234 -33.0159 8.51696 -32.4642 -62.0234 -32.4641 1.07511 GPRESSAVG: 2569200 58.8715 -29.8552 -59.5582 -36.9017 8.149 -32.2953 -63.0878 -32.5746 3.38354 TIMING: 2569200 CPU: 7742.48, 0.00299786/step Wall: 7742.48, 0.00299786/step, 2.02422 hours remaining, 208.031250 MB of memory in use. ENERGY: 2569200 698.6780 2094.0267 1928.2603 108.0232 -206357.4687 18138.3672 0.0000 0.0000 34113.5640 -149276.5493 297.9222 -183390.1133 -149176.1499 299.0161 285.0701 318.1060 557512.4650 23.2842 23.4680 PRESSURE: 2569400 -24.2002 -26.0904 1.6705 -26.0908 -96.161 187.798 1.66935 187.797 -185.519 GPRESSURE: 2569400 20.017 -38.988 -43.7936 -44.2681 -51.2303 181.317 111.313 104.007 -183.279 PRESSAVG: 2569400 -10.837 -39.2665 -2.6905 -39.2664 9.54288 46.5206 -2.69052 46.5207 1.6859 GPRESSAVG: 2569400 -10.1297 -38.8277 -4.47526 -37.8153 9.6505 43.8038 -4.13585 45.4441 0.640812 TIMING: 2569400 CPU: 7743.08, 0.00299203/step Wall: 7743.08, 0.00299203/step, 2.02012 hours remaining, 208.031250 MB of memory in use. ENERGY: 2569400 732.1307 2067.7509 1947.0856 109.6168 -205790.5730 17575.3792 0.0000 0.0000 34103.2465 -149255.3633 297.8321 -183358.6097 -149159.9679 297.8805 -101.9600 -71.4976 556876.5961 0.1306 0.0539 PRESSURE: 2569600 -197.465 7.23813 -31.9819 7.23774 -21.7042 167.058 -31.9833 167.057 -106.36 GPRESSURE: 2569600 -178.718 -0.389601 -97.3062 5.86858 72.5489 155.357 17.2477 177.157 -112.85 PRESSAVG: 2569600 -32.3083 -35.0482 5.39985 -35.0483 -0.568569 69.8188 5.39985 69.8188 28.9751 GPRESSAVG: 2569600 -32.5991 -36.0004 5.4366 -35.9081 0.752557 71.9257 8.93837 71.8345 28.0875 TIMING: 2569600 CPU: 7743.68, 0.00297856/step Wall: 7743.68, 0.00297856/step, 2.01086 hours remaining, 208.031250 MB of memory in use. ENERGY: 2569600 725.2160 2094.0419 1937.8432 114.5119 -206114.8236 17898.1053 0.0000 0.0000 34160.9587 -149184.1466 298.3361 -183345.1053 -149081.9027 298.0604 -108.5099 -73.0064 559922.2878 -1.3006 -1.2530 PRESSURE: 2569800 -1.51114 112.671 -103.072 112.671 173.513 -14.5121 -103.072 -14.5125 -87.8803 GPRESSURE: 2569800 35.4768 113.836 -102.821 147.039 188.749 3.68043 -94.6212 -15.435 -47.9783 PRESSAVG: 2569800 -55.1449 -34.9517 20.7266 -34.9517 -8.12588 45.912 20.7267 45.912 22.6827 GPRESSAVG: 2569800 -54.5914 -34.667 21.9329 -32.8565 -9.10934 46.4584 19.1436 44.5613 22.8667 TIMING: 2569800 CPU: 7744.27, 0.00298833/step Wall: 7744.27, 0.00298833/step, 2.01729 hours remaining, 208.031250 MB of memory in use. ENERGY: 2569800 721.3640 2019.4795 1932.0154 115.9455 -206162.3001 17695.9434 0.0000 0.0000 34350.5634 -149326.9888 299.9920 -183677.5523 -149233.3372 298.8235 28.0406 58.7492 557789.1762 -13.5294 -13.6114 PRESSURE: 2570000 159.244 -151.502 187.927 -151.502 -48.9961 47.5842 187.927 47.5829 -161.061 GPRESSURE: 2570000 161.231 -101.787 126.667 -217.168 -74.0193 38.1082 197.09 76.2368 -43.705 PRESSAVG: 2570000 -41.0034 -26.2369 0.213298 -26.2369 48.8058 -2.84808 0.213194 -2.84813 11.9885 GPRESSAVG: 2570000 -41.9607 -27.181 -2.48182 -26.5727 49.3634 -2.33232 -0.449962 -2.60193 12.4286 TIMING: 2570000 CPU: 7744.88, 0.00301428/step Wall: 7744.88, 0.00301428/step, 2.03464 hours remaining, 208.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2570000 710.9742 2068.5417 1947.4323 118.4814 -206010.8743 17751.8023 0.0000 0.0000 34183.3125 -149230.3300 298.5314 -183413.6424 -149138.8343 298.4203 -16.9375 14.5022 557019.2817 6.5970 6.6105 PRESSURE: 2570200 -66.4798 -134.638 13.9957 -134.638 34.7301 -2.89872 13.995 -2.90078 242.743 GPRESSURE: 2570200 -23.7527 -133.447 43.6467 -44.5791 91.0385 33.9988 -23.421 31.6896 233.664 PRESSAVG: 2570200 -24.4297 -42.7298 44.7083 -42.7296 19.7837 12.2234 44.7082 12.2234 21.9532 GPRESSAVG: 2570200 -24.3437 -39.4349 47.0396 -44.5343 19.6665 10.6499 44.9595 12.1639 21.6322 TIMING: 2570200 CPU: 7745.48, 0.00302721/step Wall: 7745.48, 0.00302721/step, 2.0432 hours remaining, 208.031250 MB of memory in use. ENERGY: 2570200 713.0910 2067.7245 1928.7649 109.3505 -206462.7556 17997.5537 0.0000 0.0000 34413.7978 -149232.4732 300.5443 -183646.2710 -149137.9904 299.5086 70.3310 100.3166 556648.4226 5.7691 5.6517 PRESSURE: 2570400 -87.9104 2.96485 94.2942 2.96424 116.778 82.8377 94.295 82.8392 -43.2321 GPRESSURE: 2570400 -27.0599 33.2608 107.298 -4.58286 100.972 77.3055 128.932 38.3229 9.22731 PRESSAVG: 2570400 -48.2352 -12.8032 23.8145 -12.8032 -11.6361 24.527 23.8145 24.5271 30.7637 GPRESSAVG: 2570400 -48.0688 -14.587 22.1389 -10.905 -12.9721 25.9272 24.4071 25.588 32.359 TIMING: 2570400 CPU: 7746.09, 0.00301759/step Wall: 7746.09, 0.00301759/step, 2.03654 hours remaining, 208.031250 MB of memory in use. ENERGY: 2570400 755.1220 2085.0384 1940.8741 105.9071 -206361.7536 17908.9091 0.0000 0.0000 34255.2912 -149310.6117 299.1600 -183565.9029 -149214.2159 298.8694 -4.7881 27.7131 555932.2185 -9.7025 -9.5606 PRESSURE: 2570600 263.176 36.4268 52.6674 36.4263 -212.182 -41.1273 52.6669 -41.1274 -159.826 GPRESSURE: 2570600 258.248 31.7531 52.6088 37.9134 -178.05 11.3865 81.6255 -49.8957 -95.8697 PRESSAVG: 2570600 -31.2674 -54.5403 26.6819 -54.5403 47.774 -10.7469 26.6819 -10.747 30.8027 GPRESSAVG: 2570600 -30.5953 -54.3432 26.0114 -55.8678 49.3596 -11.4865 26.9062 -10.8248 28.707 TIMING: 2570600 CPU: 7746.69, 0.00300247/step Wall: 7746.69, 0.00300247/step, 2.02617 hours remaining, 208.031250 MB of memory in use. ENERGY: 2570600 741.3366 2034.7902 1946.9226 104.1889 -206509.2314 17879.7041 0.0000 0.0000 34312.5050 -149489.7841 299.6596 -183802.2891 -149397.5393 299.6584 -36.2773 -5.2240 555882.4223 15.7698 15.8237 PRESSURE: 2570800 47.1197 -103.477 115.962 -103.476 -49.0092 64.738 115.963 64.7387 -275.305 GPRESSURE: 2570800 9.84913 -138.109 22.1392 -55.7875 11.5257 38.1134 195.679 73.4068 -202.853 PRESSAVG: 2570800 25.749 23.1325 81.4935 23.1325 -19.1418 14.8829 81.4935 14.8829 28.6236 GPRESSAVG: 2570800 25.199 22.4398 83.0028 22.7298 -20.5036 15.1063 80.1218 16.8636 30.8217 TIMING: 2570800 CPU: 7747.29, 0.00299917/step Wall: 7747.29, 0.00299917/step, 2.02377 hours remaining, 208.031250 MB of memory in use. ENERGY: 2570800 755.0026 2070.3269 1930.3986 115.3064 -206145.4706 17756.4772 0.0000 0.0000 34113.6011 -149404.3578 297.9226 -183517.9589 -149307.2824 298.8389 -92.3981 -60.4927 557616.5556 11.7436 11.8390 PRESSURE: 2571000 -166.651 -34.0873 132.028 -34.0867 -27.5579 -21.0169 132.027 -21.0175 -1.94519 GPRESSURE: 2571000 -96.7069 72.7124 213.88 -103.12 15.2233 -39.7493 75.9178 -28.8665 -25.7122 PRESSAVG: 2571000 25.5437 -39.7658 -45.3841 -39.7658 24.2656 52.2057 -45.3842 52.2058 -13.3118 GPRESSAVG: 2571000 26.1855 -38.5059 -46.242 -40.3578 26.3585 53.2508 -46.2881 50.5863 -15.1422 TIMING: 2571000 CPU: 7747.89, 0.00302306/step Wall: 7747.89, 0.00302306/step, 2.03972 hours remaining, 208.031250 MB of memory in use. ENERGY: 2571000 723.8095 2135.4749 1933.9728 109.4300 -206216.8116 17701.2990 0.0000 0.0000 34468.4656 -149144.3598 301.0217 -183612.8254 -149051.3682 299.4063 -65.3848 -35.7319 557750.9081 12.1658 12.4673 PRESSURE: 2571200 -12.2096 -116.474 54.5463 -116.474 63.9706 211.28 54.5441 211.28 26.4978 GPRESSURE: 2571200 61.5914 -166.733 78.1161 -28.5535 47.7448 102.882 34.3248 251.39 94.664 PRESSAVG: 2571200 39.554 -24.7344 52.3257 -24.7343 -17.0606 -7.41373 52.3257 -7.41377 27.1937 GPRESSAVG: 2571200 40.1643 -25.9564 52.8844 -23.7245 -17.0875 -7.63321 54.6062 -9.00463 26.8425 TIMING: 2571200 CPU: 7748.49, 0.00297985/step Wall: 7748.49, 0.00297985/step, 2.0104 hours remaining, 208.031250 MB of memory in use. ENERGY: 2571200 766.4932 2081.5786 1930.5237 120.8051 -206272.8812 17871.4345 0.0000 0.0000 34296.4656 -149205.5805 299.5196 -183502.0461 -149111.5444 299.2480 26.0863 68.0001 556054.0611 16.5624 16.6398 PRESSURE: 2571400 -191.851 -113.03 -56.172 -113.029 130.169 84.6122 -56.1724 84.6134 -146.723 GPRESSURE: 2571400 -158.998 -89.162 -106.784 -119.475 126.743 138.373 -53.555 -5.16135 -74.8725 PRESSAVG: 2571400 -35.1889 -28.7632 20.5632 -28.7632 36.5178 5.94938 20.5632 5.94942 0.465481 GPRESSAVG: 2571400 -36.5496 -29.3915 20.7795 -28.7686 35.762 5.11453 18.0325 8.1949 2.92332 TIMING: 2571400 CPU: 7749.09, 0.00299893/step Wall: 7749.09, 0.00299893/step, 2.02311 hours remaining, 208.031250 MB of memory in use. ENERGY: 2571400 766.9700 2079.8340 1945.9481 111.4654 -205729.6325 17670.8700 0.0000 0.0000 34174.5929 -148979.9521 298.4552 -183154.5451 -148889.1062 299.2737 -69.4680 -35.7092 558119.2673 0.5981 0.7119 PRESSURE: 2571600 13.3602 -102.654 145.227 -102.653 88.2347 -74.9303 145.227 -74.9334 25.1405 GPRESSURE: 2571600 84.144 -107.411 173.609 -55.7473 113.904 -93.0806 158.969 -127.597 36.3056 PRESSAVG: 2571600 -0.226522 -9.73468 -2.73741 -9.73468 -54.8839 0.0902772 -2.73746 0.0903866 19.002 GPRESSAVG: 2571600 -0.365664 -9.87057 -3.38881 -8.48743 -54.5135 0.897511 -2.31639 -2.32959 18.8042 TIMING: 2571600 CPU: 7749.68, 0.00297494/step Wall: 7749.68, 0.00297494/step, 2.00676 hours remaining, 208.031250 MB of memory in use. ENERGY: 2571600 784.5402 2051.8474 1935.0426 121.6410 -206403.5460 17999.6969 0.0000 0.0000 34576.6883 -148934.0895 301.9668 -183510.7778 -148836.5328 299.9099 42.2451 78.1178 558157.2309 -12.0361 -12.0250 PRESSURE: 2571800 -154.204 53.4219 136.902 53.4216 -213.415 61.5135 136.902 61.5142 -99.2593 GPRESSURE: 2571800 -146.409 60.6283 149.074 55.0909 -173.688 31.1388 126.952 30.0114 -45.9688 PRESSAVG: 2571800 -41.2511 -29.4229 4.5281 -29.4229 -22.2466 6.9929 4.52816 6.99277 68.5362 GPRESSAVG: 2571800 -39.6583 -25.5461 5.71928 -31.1006 -22.9741 6.78161 4.73296 5.90916 67.412 TIMING: 2571800 CPU: 7750.29, 0.00302145/step Wall: 7750.29, 0.00302145/step, 2.03797 hours remaining, 208.031250 MB of memory in use. ENERGY: 2571800 754.4867 2116.3854 1946.6146 115.6552 -205904.5755 17580.7029 0.0000 0.0000 34394.1829 -148996.5478 300.3730 -183390.7307 -148899.6856 300.6953 -155.6261 -122.0219 557938.7268 1.6795 1.5932 PRESSURE: 2572000 214.809 -115.52 -79.4415 -115.52 -99.6023 -22.053 -79.4416 -22.053 -125.562 GPRESSURE: 2572000 286.79 -182.157 -56.5382 56.3084 -101.438 9.6228 -191.91 -2.07759 -99.096 PRESSAVG: 2572000 -48.4662 -38.888 -19.5173 -38.888 -35.5548 -66.2686 -19.5173 -66.2686 83.1371 GPRESSAVG: 2572000 -49.0323 -41.1666 -19.8114 -38.1908 -35.8275 -65.7913 -18.4619 -65.2619 84.1852 TIMING: 2572000 CPU: 7750.89, 0.00300815/step Wall: 7750.89, 0.00300815/step, 2.02883 hours remaining, 208.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2572000 733.4956 2123.1535 1925.8005 129.2040 -206114.0022 17923.2736 0.0000 0.0000 34105.3199 -149173.7552 297.8502 -183279.0751 -149079.7410 299.4323 -3.4519 28.7521 557221.6067 -0.2946 -0.2249 PRESSURE: 2572200 -123.541 33.8576 -85.0443 33.8579 -145.422 -5.97303 -85.0456 -5.97362 -107.33 GPRESSURE: 2572200 -94.391 44.695 -109.371 5.86864 -136.067 -109.124 -77.4461 6.46952 -41.509 PRESSAVG: 2572200 -14.2148 25.553 -11.9374 25.5529 7.76899 -29.0615 -11.9373 -29.0615 12.9122 GPRESSAVG: 2572200 -13.417 24.0766 -12.482 26.8293 7.21068 -28.7193 -11.0349 -29.4793 12.7453 TIMING: 2572200 CPU: 7751.49, 0.00302838/step Wall: 7751.49, 0.00302838/step, 2.04231 hours remaining, 208.042969 MB of memory in use. ENERGY: 2572200 690.3956 2111.4379 1954.3972 111.5278 -206225.3181 17770.5297 0.0000 0.0000 34444.8259 -149142.2039 300.8152 -183587.0298 -149051.3996 299.2581 -125.4306 -90.6557 558015.6817 2.1555 2.1797 LDB: ============= START OF LOAD BALANCING ============== 7755.01 LDB: ============== END OF LOAD BALANCING =============== 7755.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7755.02 LDB: ============= START OF LOAD BALANCING ============== 7755.32 LDB: Largest compute 4794 load 0.025313 is 21.4% of average load 0.118062 LDB: Average compute 0.001726 is 1.5% of average load 0.118062 LDB: TIME 7755.32 LOAD: AVG 0.118062 MAX 0.211725 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.484 MB LDB: TIME 7755.32 LOAD: AVG 0.118062 MAX 0.211725 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.719 MB LDB: TIME 7755.32 LOAD: AVG 0.118062 MAX 0.211725 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.719 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7755.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7755.33 PRESSURE: 2572400 -255.01 -72.3872 -137.722 -72.3874 27.254 24.5666 -137.721 24.5663 -79.0371 GPRESSURE: 2572400 -218.078 -110.661 -170.254 -27.5517 39.7682 -32.4506 -37.7894 32.1038 -21.3096 PRESSAVG: 2572400 25.7856 21.7513 -33.0712 21.7512 -11.128 -18.4145 -33.0712 -18.4145 14.1839 GPRESSAVG: 2572400 24.8758 24.6373 -32.9039 20.0347 -10.198 -18.5895 -32.1805 -18.7303 14.074 TIMING: 2572400 CPU: 7752.11, 0.0031062/step Wall: 7752.11, 0.0031062/step, 2.09461 hours remaining, 212.234375 MB of memory in use. ENERGY: 2572400 714.9897 2056.4778 1946.9797 122.2893 -206248.9849 17820.2362 0.0000 0.0000 34203.8970 -149384.1152 298.7111 -183588.0122 -149291.5192 298.9169 -102.2645 -66.5398 558279.7137 9.6138 9.5839 PRESSURE: 2572600 291.164 151.411 -28.7783 151.411 208.163 -147.639 -28.7778 -147.64 74.4805 GPRESSURE: 2572600 351.322 159.329 -38.1485 230.938 247.089 -146.024 -52.619 -132.848 81.9699 PRESSAVG: 2572600 12.6828 72.1023 30.6609 72.1023 -52.2697 -33.5024 30.6608 -33.5023 27.0744 GPRESSAVG: 2572600 12.0408 71.8066 30.1143 71.0262 -51.4227 -34.072 30.352 -30.6711 26.3494 TIMING: 2572600 CPU: 7752.72, 0.00302629/step Wall: 7752.72, 0.00302629/step, 2.04056 hours remaining, 212.437500 MB of memory in use. ENERGY: 2572600 731.8125 2083.0985 1922.2794 105.8291 -206353.7795 18023.3599 0.0000 0.0000 34107.2778 -149380.1223 297.8673 -183487.4001 -149290.1921 298.5479 191.2693 226.7939 556104.6122 -4.1708 -4.3442 PRESSURE: 2572800 -55.1521 18.4323 85.7385 18.4331 -179.109 -4.09855 85.7387 -4.09825 -202.671 GPRESSURE: 2572800 8.4083 29.6577 149.594 -56.1237 -195.319 24.1236 30.969 -10.696 -152.429 PRESSAVG: 2572800 21.4157 41.5013 -2.35624 41.5012 -54.4304 8.72073 -2.3562 8.72069 20.9373 GPRESSAVG: 2572800 21.7415 41.1501 -1.26894 41.6082 -55.3808 8.46035 -3.51616 9.44558 21.5675 TIMING: 2572800 CPU: 7753.33, 0.00305071/step Wall: 7753.33, 0.00305071/step, 2.05686 hours remaining, 212.437500 MB of memory in use. ENERGY: 2572800 771.1715 2109.2341 1911.5467 114.2854 -206366.1398 17728.1460 0.0000 0.0000 34208.8942 -149522.8620 298.7548 -183731.7562 -149429.8550 298.3656 -145.6441 -113.1134 555579.3215 -4.0258 -4.0239 PRESSURE: 2573000 10.4009 -48.8791 69.831 -48.8802 19.5418 -193.112 69.8306 -193.114 30.6923 GPRESSURE: 2573000 77.7875 -154.686 173.353 9.59436 37.9985 -197.947 -4.7192 -150.689 37.8176 PRESSAVG: 2573000 -26.4245 14.709 -58.885 14.7092 0.322943 -26.2239 -58.8849 -26.2239 -14.6812 GPRESSAVG: 2573000 -24.6056 13.3442 -58.0131 16.4509 0.376967 -24.291 -59.3391 -29.4719 -16.9222 TIMING: 2573000 CPU: 7753.93, 0.00300163/step Wall: 7753.93, 0.00300163/step, 2.0236 hours remaining, 212.437500 MB of memory in use. ENERGY: 2573000 718.7163 1999.0570 1940.8828 114.8494 -206234.6141 17785.8541 0.0000 0.0000 34209.2528 -149466.0017 298.7579 -183675.2545 -149369.5770 298.8436 20.2116 51.2012 556474.0360 -13.5942 -13.7169 PRESSURE: 2573200 94.1089 -74.6795 5.44578 -74.6792 -90.0116 35.8313 5.44662 35.8321 40.8442 GPRESSURE: 2573200 125.323 -86.6495 26.3959 -68.1027 -5.41452 35.4912 -8.68843 101.734 17.3706 PRESSAVG: 2573200 7.92803 -2.29627 -34.7656 -2.29614 62.8045 -24.8025 -34.7656 -24.8023 -52.5137 GPRESSAVG: 2573200 5.54179 -1.04632 -36.0617 -2.86583 63.3668 -25.1264 -33.7053 -24.214 -51.2537 TIMING: 2573200 CPU: 7754.53, 0.00301544/step Wall: 7754.53, 0.00301544/step, 2.03274 hours remaining, 212.437500 MB of memory in use. ENERGY: 2573200 758.8912 2105.8849 1929.4427 105.1312 -206099.7721 17678.9491 0.0000 0.0000 34102.7622 -149418.7109 297.8279 -183521.4731 -149331.9901 298.2086 14.9805 45.7598 556238.6575 6.0730 5.8850 PRESSURE: 2573400 -195.299 -45.6477 -3.78622 -45.648 -70.6624 41.7946 -3.78615 41.7945 -105.327 GPRESSURE: 2573400 -151.117 -36.3105 19.3354 22.1679 -91.2153 17.8992 -49.9076 88.5277 -47.9739 PRESSAVG: 2573400 58.1884 -27.9662 -28.1052 -27.9662 -16.9646 3.94356 -28.1053 3.9435 -56.0074 GPRESSAVG: 2573400 59.0995 -28.4701 -27.5132 -27.055 -17.5564 3.49463 -26.3541 4.5021 -56.7393 TIMING: 2573400 CPU: 7755.13, 0.00298828/step Wall: 7755.13, 0.00298829/step, 2.01427 hours remaining, 212.437500 MB of memory in use. ENERGY: 2573400 767.3566 2054.3409 1948.9347 105.8065 -206000.2341 17618.9063 0.0000 0.0000 34178.2147 -149326.6744 298.4868 -183504.8891 -149238.1100 298.6001 -123.7630 -96.7688 555421.1290 -4.9279 -5.0654 PRESSURE: 2573600 238.365 143.803 12.9352 143.803 -153.266 -66.55 12.9356 -66.5498 -30.9157 GPRESSURE: 2573600 255.502 112.019 78.3282 123.417 -104.743 -59.7347 54.4781 2.43769 3.71792 PRESSAVG: 2573600 7.29953 -10.7812 -66.5846 -10.7811 -31.733 -13.9634 -66.5845 -13.9633 25.4247 GPRESSAVG: 2573600 7.37263 -11.5626 -66.3591 -10.6147 -32.7408 -12.8907 -69.9164 -12.7222 26.572 TIMING: 2573600 CPU: 7755.73, 0.00300022/step Wall: 7755.73, 0.00300022/step, 2.02215 hours remaining, 212.640625 MB of memory in use. ENERGY: 2573600 768.8167 2087.4467 1947.2991 117.6690 -206200.0204 17864.6689 0.0000 0.0000 34154.0476 -149260.0724 298.2758 -183414.1200 -149167.3282 298.9502 18.0613 51.4922 556665.2437 0.3304 0.4013 PRESSURE: 2573800 18.6322 75.8341 -10.5233 75.8337 -77.3541 -128.24 -10.5237 -128.239 0.234687 GPRESSURE: 2573800 62.5903 121.658 65.7106 59.0983 -50.4816 -139.565 -84.9748 -22.5482 21.7681 PRESSAVG: 2573800 -12.8981 -49.8929 -43.5533 -49.8929 -97.2424 -34.4207 -43.5533 -34.4207 64.1501 GPRESSAVG: 2573800 -14.5643 -51.3456 -41.2325 -50.6844 -95.699 -36.3171 -43.8772 -34.3304 64.1645 TIMING: 2573800 CPU: 7756.33, 0.00298843/step Wall: 7756.33, 0.00298843/step, 2.01403 hours remaining, 212.640625 MB of memory in use. ENERGY: 2573800 721.0525 2049.3141 1956.1484 111.9790 -206114.7944 17671.6759 0.0000 0.0000 34330.3121 -149274.3124 299.8152 -183604.6245 -149180.3784 299.0440 -19.4957 11.2923 558486.7913 -15.3301 -15.3662 PRESSURE: 2574000 -184.197 43.0499 -37.7091 43.0495 -81.9262 -49.0624 -37.7086 -49.0641 221.77 GPRESSURE: 2574000 -121.225 58.522 43.1457 43.7215 -66.9753 -4.4519 -39.3993 -136.506 237.701 PRESSAVG: 2574000 7.58201 14.1247 -8.02156 14.1247 -46.5718 10.9006 -8.02151 10.9005 54.6208 GPRESSAVG: 2574000 8.73775 16.8136 -7.60719 15.2219 -48.0622 11.5326 -5.91719 9.92312 54.7771 TIMING: 2574000 CPU: 7756.92, 0.00297149/step Wall: 7756.92, 0.00297149/step, 2.00245 hours remaining, 212.640625 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: 2574000 724.9970 2075.8075 1949.7909 114.5572 -206092.1270 17659.9529 0.0000 0.0000 34189.5165 -149377.5051 298.5856 -183567.0215 -149287.2456 299.5093 -14.7844 16.5001 557163.7530 5.2103 5.1509 PRESSURE: 2574200 0.894349 -82.3205 88.9347 -82.319 -94.2725 -16.111 88.9339 -16.1105 7.91603 GPRESSURE: 2574200 59.4552 -82.2933 3.63066 11.8834 -43.3654 41.7732 177.138 -22.201 -6.26952 PRESSAVG: 2574200 -2.13572 75.4916 22.4028 75.4917 -58.4379 -39.3076 22.4029 -39.3077 47.5669 GPRESSAVG: 2574200 -2.65074 73.8705 20.3847 73.9541 -58.4757 -37.5339 21.37 -38.7431 48.0646 TIMING: 2574200 CPU: 7757.52, 0.00296163/step Wall: 7757.52, 0.00296163/step, 1.99564 hours remaining, 212.640625 MB of memory in use. ENERGY: 2574200 757.6557 2096.1548 1933.8877 116.2832 -206343.1342 17821.5948 0.0000 0.0000 34451.6047 -149165.9533 300.8744 -183617.5580 -149074.3355 299.9556 -28.4874 3.2734 556153.0929 -4.3356 -4.3540 PRESSURE: 2574400 -87.7207 -181.442 52.9471 -181.442 -47.9853 -85.1493 52.947 -85.1516 -166.163 GPRESSURE: 2574400 -30.2995 -145.585 29.8994 -189.808 -60.3392 -51.085 -51.3869 -107.941 -112.613 PRESSAVG: 2574400 24.7739 19.9282 -16.0933 19.9281 -37.9929 -54.344 -16.0933 -54.344 40.9434 GPRESSAVG: 2574400 24.8673 21.3439 -16.1907 19.1586 -38.1661 -56.389 -15.3987 -54.1669 41.4038 TIMING: 2574400 CPU: 7758.11, 0.00295337/step Wall: 7758.11, 0.00295337/step, 1.98992 hours remaining, 212.640625 MB of memory in use. ENERGY: 2574400 749.7774 2126.6590 1953.8302 109.1247 -206160.6768 17721.6599 0.0000 0.0000 34281.3378 -149218.2878 299.3874 -183499.6256 -149120.2071 300.0937 -100.6230 -67.7504 557419.0651 9.2414 9.3683 PRESSURE: 2574600 21.6124 -3.01686 216.108 -3.01668 3.16373 78.9978 216.108 78.9977 -20.6401 GPRESSURE: 2574600 11.85 -36.7333 130.79 -51.6311 91.2296 138.569 264.288 19.0309 6.66989 PRESSAVG: 2574600 34.9093 -43.404 10.7267 -43.4039 -33.8596 8.32367 10.7267 8.32358 -3.79059 GPRESSAVG: 2574600 35.7959 -45.3076 10.3259 -40.1151 -33.664 8.55017 11.3482 8.95131 -4.58638 TIMING: 2574600 CPU: 7758.7, 0.00294696/step Wall: 7758.7, 0.00294696/step, 1.98543 hours remaining, 212.640625 MB of memory in use. ENERGY: 2574600 795.4116 2074.3428 1940.7966 101.9397 -206056.0650 17778.0914 0.0000 0.0000 34043.2002 -149322.2827 297.3077 -183365.4829 -149229.9110 299.2476 1.3787 36.5832 557204.8069 -0.9136 -0.8182 PRESSURE: 2574800 -7.50279 -134.2 132.79 -134.2 -354.329 59.6782 132.79 59.6799 -198.908 GPRESSURE: 2574800 31.1649 -96.2968 98.3668 -180.361 -336.715 54.2604 217.863 -22.6771 -158.689 PRESSAVG: 2574800 27.2123 12.377 -21.2863 12.377 21.806 50.2663 -21.2864 50.2662 -1.9655 GPRESSAVG: 2574800 26.4599 13.39 -18.838 10.0196 21.9336 51.7124 -24.7743 51.1196 -1.50292 TIMING: 2574800 CPU: 7759.29, 0.00295444/step Wall: 7759.29, 0.00295444/step, 1.99031 hours remaining, 212.640625 MB of memory in use. ENERGY: 2574800 767.2073 2097.0841 1936.0720 112.6317 -206208.6084 17763.3214 0.0000 0.0000 34176.9506 -149355.3413 298.4758 -183532.2920 -149263.7040 298.4876 -186.9133 -154.7463 557322.9512 15.6843 15.6302 PRESSURE: 2575000 222.999 -45.0976 140.766 -45.0975 25.3246 273.858 140.767 273.858 -233.826 GPRESSURE: 2575000 225.857 3.15054 73.48 -12.8713 86.4307 212.832 184.252 184.898 -189.501 PRESSAVG: 2575000 48.4083 -9.08066 33.1854 -9.08076 -33.4544 26.4895 33.1855 26.4896 -1.2595 GPRESSAVG: 2575000 48.8744 -8.67204 33.0364 -8.76524 -35.0102 26.0462 34.8947 25.5799 -0.629601 TIMING: 2575000 CPU: 7759.88, 0.00298168/step Wall: 7759.88, 0.00298168/step, 2.0085 hours remaining, 212.640625 MB of memory in use. ENERGY: 2575000 741.6162 2080.0804 1932.5233 113.3019 -206342.9185 17907.5299 0.0000 0.0000 34089.7228 -149478.1440 297.7140 -183567.8668 -149383.0136 298.7630 4.8328 40.9287 556413.5732 4.5648 4.4115 PRESSURE: 2575200 213.994 -157.916 294.287 -157.915 -89.7022 26.2232 294.288 26.2226 7.60088 GPRESSURE: 2575200 207.221 -209.679 326.279 -115.606 -4.14368 16.5753 300.964 144.38 44.5777 PRESSAVG: 2575200 -19.392 -7.80459 89.7124 -7.80462 36.8888 22.6943 89.7124 22.6942 -9.09693 GPRESSAVG: 2575200 -20.5677 -7.05127 88.1752 -8.96309 38.7449 23.7107 90.13 22.3195 -9.45313 TIMING: 2575200 CPU: 7760.48, 0.0030093/step Wall: 7760.48, 0.0030093/step, 2.02693 hours remaining, 212.640625 MB of memory in use. ENERGY: 2575200 758.4301 2108.5089 1958.7332 108.6288 -206851.1363 18017.8950 0.0000 0.0000 34265.3804 -149633.5599 299.2481 -183898.9403 -149539.3623 298.0684 43.9644 82.5515 555129.8748 2.7999 2.9080 PRESSURE: 2575400 -237.243 57.4869 102.184 57.4863 -36.4678 -40.4514 102.184 -40.452 -181.811 GPRESSURE: 2575400 -187.171 43.556 107.613 47.2552 -41.57 -101.63 125.583 20.4609 -133.262 PRESSAVG: 2575400 15.115 2.83716 70.3345 2.83724 -19.4919 4.91849 70.3346 4.91848 -13.9192 GPRESSAVG: 2575400 16.1922 0.176174 70.0367 4.30569 -19.8403 1.29131 71.6848 5.64161 -14.1277 TIMING: 2575400 CPU: 7761.09, 0.00301205/step Wall: 7761.09, 0.00301205/step, 2.02861 hours remaining, 212.640625 MB of memory in use. ENERGY: 2575400 734.7338 2122.9306 1927.4381 101.6793 -206339.7589 17612.7748 0.0000 0.0000 34287.7537 -149552.4486 299.4435 -183840.2023 -149451.5610 298.9493 -151.8408 -120.6679 557667.6009 -6.0987 -5.9253 PRESSURE: 2575600 185.521 -62.3809 50.2589 -62.3816 -207.145 -161.404 50.2592 -161.404 -210.178 GPRESSURE: 2575600 211.021 -106.827 41.7424 -103.511 -155.921 -147.407 47.1704 -194.22 -189.387 PRESSAVG: 2575600 22.6978 27.0102 75.5325 27.0103 31.3279 23.6375 75.5326 23.6374 -20.4525 GPRESSAVG: 2575600 23.5172 26.5429 76.9061 27.4601 32.3141 25.4115 71.7637 24.378 -22.1769 TIMING: 2575600 CPU: 7761.69, 0.0029949/step Wall: 7761.69, 0.0029949/step, 2.0169 hours remaining, 212.640625 MB of memory in use. ENERGY: 2575600 750.3659 2103.7355 1945.8976 102.4673 -206196.3628 17794.7038 0.0000 0.0000 34124.2616 -149374.9311 298.0157 -183499.1926 -149272.5620 299.3762 -77.2676 -44.7622 557445.1794 11.1911 11.2181 PRESSURE: 2575800 -126.498 -174.487 -68.221 -174.487 11.2683 -37.4196 -68.2198 -37.4194 -51.5423 GPRESSURE: 2575800 -95.6327 -120.064 -9.75927 -170.887 88.1076 -75.9974 -91.455 -23.8476 -54.0083 PRESSAVG: 2575800 8.13556 5.74797 22.5892 5.74799 -0.731842 -20.0124 22.5892 -20.0125 6.62403 GPRESSAVG: 2575800 7.97846 6.277 21.9179 4.4313 -0.52702 -20.8208 24.3922 -21.3904 6.41254 TIMING: 2575800 CPU: 7762.29, 0.00300159/step Wall: 7762.29, 0.00300159/step, 2.02124 hours remaining, 212.640625 MB of memory in use. ENERGY: 2575800 750.4227 2044.5497 1946.1628 110.3719 -206218.8405 17745.7474 0.0000 0.0000 34251.0148 -149370.5711 299.1226 -183621.5860 -149277.5069 298.7335 -55.5908 -20.5111 556864.8730 4.6759 4.6213 PRESSURE: 2576000 32.4612 4.01676 -45.9142 4.01584 -85.9176 92.9354 -45.913 92.9334 199.878 GPRESSURE: 2576000 15.3641 -2.00021 -59.4147 64.3234 -3.54574 85.9374 -26.1959 60.3051 239.418 PRESSAVG: 2576000 40.7321 -18.3637 -1.10576 -18.3637 -2.08414 17.5159 -1.10569 17.5159 -9.25131 GPRESSAVG: 2576000 40.341 -15.9276 -2.86984 -19.9102 -3.03519 16.2341 -0.85147 19.139 -8.18305 TIMING: 2576000 CPU: 7762.88, 0.00298643/step Wall: 7762.88, 0.00298643/step, 2.01086 hours remaining, 212.640625 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: 2576000 728.3511 2043.0519 1946.8285 102.1080 -206061.4039 17923.1250 0.0000 0.0000 34125.9668 -149191.9725 298.0306 -183317.9393 -149102.6792 299.4641 48.8073 83.7454 558959.7084 9.7989 9.7076 PRESSURE: 2576200 -173.401 127.201 -175.668 127.201 -446.623 -50.0309 -175.667 -50.0305 -87.0281 GPRESSURE: 2576200 -139.723 71.6924 -41.3302 118.282 -389.929 -23.8882 -164.252 -53.0183 -82.8106 PRESSAVG: 2576200 8.71229 8.44034 16.1984 8.44036 -48.8785 5.63398 16.1983 5.63393 40.8057 GPRESSAVG: 2576200 7.6857 6.56791 19.4231 10.3741 -47.5081 7.85513 16.3975 4.39764 40.4657 TIMING: 2576200 CPU: 7763.48, 0.00297839/step Wall: 7763.48, 0.00297839/step, 2.00529 hours remaining, 212.640625 MB of memory in use. ENERGY: 2576200 745.4941 2069.5071 1926.0464 109.8649 -205661.7838 17320.2285 0.0000 0.0000 34257.9432 -149232.6997 299.1831 -183490.6428 -149140.0170 298.4670 -235.6840 -204.1545 559930.6264 0.2132 0.2144 LDB: ============= START OF LOAD BALANCING ============== 7767 LDB: ============== END OF LOAD BALANCING =============== 7767 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7767 LDB: ============= START OF LOAD BALANCING ============== 7767.3 LDB: Largest compute 4800 load 0.026012 is 22.0% of average load 0.118067 LDB: Average compute 0.001723 is 1.5% of average load 0.118067 LDB: TIME 7767.3 LOAD: AVG 0.118067 MAX 0.210641 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.379 MB LDB: TIME 7767.3 LOAD: AVG 0.118067 MAX 0.210641 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.379 MB LDB: TIME 7767.3 LOAD: AVG 0.118067 MAX 0.210641 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.379 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7767.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7767.31 PRESSURE: 2576400 -103.918 -153.059 -78.4585 -153.059 -6.76857 -4.07803 -78.4568 -4.07697 32.4362 GPRESSURE: 2576400 -72.685 -112.247 -21.5052 -192.567 50.466 -20.7851 -14.1499 6.22355 45.0309 PRESSAVG: 2576400 -62.7559 13.7006 -26.2588 13.7006 -16.6677 -5.6269 -26.2588 -5.6268 47.8071 GPRESSAVG: 2576400 -61.0375 15.94 -27.561 14.4174 -17.9331 -6.52108 -26.6786 -6.16838 47.5193 TIMING: 2576400 CPU: 7764.09, 0.00306394/step Wall: 7764.09, 0.00306394/step, 2.06271 hours remaining, 210.222656 MB of memory in use. ENERGY: 2576400 743.6667 2060.1855 1959.0374 114.0786 -205847.3437 17616.1430 0.0000 0.0000 34052.8792 -149301.3531 297.3923 -183354.2323 -149202.7588 298.4373 -26.0834 7.6040 559120.8760 -10.5388 -10.4838 PRESSURE: 2576600 60.2637 23.5311 87.1072 23.5308 -153.635 -140.434 87.1058 -140.434 -412.464 GPRESSURE: 2576600 118.559 39.6723 108.218 30.6516 -126.224 -90.6352 83.158 -93.6747 -405.167 PRESSAVG: 2576600 24.7399 9.38232 -3.71127 9.38228 28.0151 -8.19341 -3.71127 -8.19332 -38.8961 GPRESSAVG: 2576600 23.6929 7.75816 -5.3559 7.16786 28.7395 -5.39609 -2.77437 -8.4655 -38.1716 TIMING: 2576600 CPU: 7764.7, 0.00301607/step Wall: 7764.7, 0.00301607/step, 2.03032 hours remaining, 210.222656 MB of memory in use. ENERGY: 2576600 751.8101 2093.8810 1956.0898 123.3014 -205942.9934 17631.8159 0.0000 0.0000 34288.6101 -149097.4851 299.4510 -183386.0952 -149000.9275 298.8157 -168.6118 -137.6109 559690.8581 4.6196 4.7536 PRESSURE: 2576800 -215.541 50.146 -19.9064 50.1452 -133.697 103.174 -19.9062 103.174 47.3025 GPRESSURE: 2576800 -157.334 95.6966 -35.5766 83.943 -138.85 153.635 -68.0916 84.8653 99.6018 PRESSAVG: 2576800 41.9126 57.4397 25.3863 57.4397 -44.7599 -23.655 25.3863 -23.6551 -29.1855 GPRESSAVG: 2576800 43.0794 59.6021 28.0571 56.0153 -45.0211 -25.5628 23.6295 -23.9924 -29.3777 TIMING: 2576800 CPU: 7765.3, 0.00301011/step Wall: 7765.3, 0.00301011/step, 2.02614 hours remaining, 210.515625 MB of memory in use. ENERGY: 2576800 751.5043 2124.3726 1954.3372 116.5712 -206094.7452 17826.8856 0.0000 0.0000 34356.8856 -148964.1887 300.0472 -183321.0743 -148869.5335 299.0988 -100.6451 -65.5274 558194.8454 -10.6776 -10.4398 PRESSURE: 2577000 -94.3409 -100.335 -32.2663 -100.335 -190.999 40.2173 -32.2661 40.2168 41.6388 GPRESSURE: 2577000 -41.4524 -113.935 -31.9815 -20.0581 -146.256 3.58178 -49.2348 -18.4647 40.632 PRESSAVG: 2577000 35.8378 58.242 -65.4515 58.2419 -38.6422 -35.4812 -65.4515 -35.4811 -15.5892 GPRESSAVG: 2577000 33.9267 55.8513 -66.2419 59.7365 -37.366 -35.0273 -63.9507 -36.0238 -15.1049 TIMING: 2577000 CPU: 7765.89, 0.00298597/step Wall: 7765.89, 0.00298597/step, 2.00972 hours remaining, 210.515625 MB of memory in use. ENERGY: 2577000 747.2431 2112.9566 1949.7622 118.3242 -206057.3924 17743.6105 0.0000 0.0000 34257.5118 -149127.9840 299.1794 -183385.4959 -149031.7599 299.7214 -81.2337 -49.0256 558500.7162 -6.1312 -6.1814 PRESSURE: 2577200 -79.892 53.4099 54.5586 53.4095 -143.471 -154.523 54.5567 -154.524 -226.166 GPRESSURE: 2577200 -35.4969 65.6402 71.356 52.7387 -108.483 -110.926 33.9692 -253.027 -207.959 PRESSAVG: 2577200 4.64996 20.514 -12.1629 20.5141 -24.324 -53.6131 -12.1629 -53.6131 0.849782 GPRESSAVG: 2577200 4.94629 23.2292 -13.3744 20.1586 -25.7098 -54.5937 -13.6353 -52.0751 1.66491 TIMING: 2577200 CPU: 7766.5, 0.00300517/step Wall: 7766.5, 0.00300517/step, 2.02248 hours remaining, 210.515625 MB of memory in use. ENERGY: 2577200 790.4030 2134.4439 1965.9990 116.9721 -205837.8399 17634.7270 0.0000 0.0000 34133.9393 -149061.3557 298.1002 -183195.2950 -148964.8945 299.7470 -149.8431 -117.3127 558545.1074 -6.2748 -6.3662 PRESSURE: 2577400 -243.953 -22.0099 26.2601 -22.0094 7.78706 -179.134 26.2617 -179.134 -175.379 GPRESSURE: 2577400 -221.592 39.9392 44.3637 -14.2556 52.5162 -160.736 -4.22223 -214.348 -146.66 PRESSAVG: 2577400 -25.2297 79.9023 -3.31096 79.9023 -18.4785 -2.90833 -3.3109 -2.90839 24.5937 GPRESSAVG: 2577400 -22.5577 76.4925 -2.3017 81.1273 -18.754 -3.06733 -1.8655 -4.16107 21.7891 TIMING: 2577400 CPU: 7767.09, 0.00299071/step Wall: 7767.09, 0.00299071/step, 2.01258 hours remaining, 210.515625 MB of memory in use. ENERGY: 2577400 733.9072 2093.8251 1947.1673 114.4641 -205962.5088 17575.3906 0.0000 0.0000 34377.5570 -149120.1975 300.2278 -183497.7545 -149014.4121 299.1864 -137.1814 -105.2454 558261.5091 -6.3715 -6.5075 PRESSURE: 2577600 145.798 29.9349 -94.979 29.9346 92.1959 -68.6838 -94.9782 -68.6844 93.4778 GPRESSURE: 2577600 145.321 110.565 -173.103 27.4973 179.652 -102.092 -23.1987 -36.3186 110.468 PRESSAVG: 2577600 -45.9674 49.0719 7.02298 49.0719 58.5148 -30.9908 7.02293 -30.9908 -42.1669 GPRESSAVG: 2577600 -47.7089 48.9333 5.85085 49.9952 59.0894 -31.2821 7.09552 -30.196 -40.585 TIMING: 2577600 CPU: 7767.7, 0.00303684/step Wall: 7767.7, 0.00303684/step, 2.04346 hours remaining, 210.515625 MB of memory in use. ENERGY: 2577600 780.8712 2070.8785 1935.0799 114.5854 -206794.4506 18236.6394 0.0000 0.0000 34433.0083 -149223.3880 300.7120 -183656.3963 -149119.4518 299.7380 110.4904 145.1471 557540.2210 -9.8732 -9.7348 PRESSURE: 2577800 297.426 244.417 -56.1743 244.418 16.3781 -80.4347 -56.1741 -80.4348 11.9007 GPRESSURE: 2577800 317.384 319.327 -141.786 123.548 65.232 -53.0438 10.1242 -82.3678 38.098 PRESSAVG: 2577800 -18.9035 7.18448 41.0454 7.18441 0.461724 -34.4044 41.0454 -34.4042 7.7308 GPRESSAVG: 2577800 -19.2967 8.73197 42.2826 5.7684 0.937193 -32.2723 42.5003 -33.6162 7.52295 TIMING: 2577800 CPU: 7768.3, 0.00299959/step Wall: 7768.3, 0.00299959/step, 2.01823 hours remaining, 210.515625 MB of memory in use. ENERGY: 2577800 761.8886 2116.1191 1948.4499 107.1582 -206593.0821 18124.3013 0.0000 0.0000 34183.3983 -149351.7666 298.5321 -183535.1649 -149255.5058 299.1762 108.5684 140.2380 557161.6178 -3.5703 -3.6122 PRESSURE: 2578000 -56.908 -17.9716 -139.204 -17.9712 -206.079 136.581 -139.203 136.58 -322.254 GPRESSURE: 2578000 -62.0195 21.7516 -77.1574 -7.98705 -166.503 113.387 -187.585 163.414 -268.132 PRESSAVG: 2578000 -0.583024 -22.3696 14.2361 -22.3695 22.2009 -33.896 14.2361 -33.8961 -7.82396 GPRESSAVG: 2578000 -1.45926 -23.5681 14.1455 -21.902 21.9492 -34.919 11.863 -35.7397 -7.15421 TIMING: 2578000 CPU: 7768.9, 0.00298727/step Wall: 7768.9, 0.00298727/step, 2.00977 hours remaining, 210.515625 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: 2578000 750.0851 2091.8705 1933.8647 120.9891 -206136.1101 17614.9227 0.0000 0.0000 34290.6322 -149333.7458 299.4686 -183624.3780 -149235.5695 298.7925 -195.0803 -165.5514 557762.4445 4.5980 4.4453 PRESSURE: 2578200 -225.183 -62.022 148.454 -62.0211 134.357 189.912 148.455 189.912 -324.941 GPRESSURE: 2578200 -192.589 10.2053 202.049 -143.714 117.572 125.615 -18.9767 164.609 -251.579 PRESSAVG: 2578200 0.95387 26.1705 -11.3074 26.1705 11.6908 1.1594 -11.3074 1.15943 -26.2604 GPRESSAVG: 2578200 1.41045 25.8771 -12.6753 27.7675 11.1694 2.00965 -10.2574 0.206452 -25.8309 TIMING: 2578200 CPU: 7769.49, 0.00297407/step Wall: 7769.49, 0.00297407/step, 2.00072 hours remaining, 210.515625 MB of memory in use. ENERGY: 2578200 763.2361 2122.2835 1966.5101 104.3709 -206222.5534 17775.0674 0.0000 0.0000 34111.3848 -149379.7008 297.9032 -183491.0856 -149285.1828 298.9436 -138.5891 -108.8652 556993.0879 -4.5386 -4.4170 PRESSURE: 2578400 219.995 -80.2006 27.3358 -80.1996 -3.04634 -5.809 27.3354 -5.80835 -41.9804 GPRESSURE: 2578400 196.554 -121.159 17.4533 -63.2906 72.2461 -29.4967 94.8105 10.5622 10.7641 PRESSAVG: 2578400 45.1473 -23.4712 28.8085 -23.4711 -28.7289 36.0549 28.8086 36.055 -19.2797 GPRESSAVG: 2578400 44.8588 -24.3941 29.1349 -25.2709 -28.9629 33.8252 29.4232 38.8474 -18.9888 TIMING: 2578400 CPU: 7770.1, 0.00302575/step Wall: 7770.1, 0.00302575/step, 2.03532 hours remaining, 210.515625 MB of memory in use. ENERGY: 2578400 770.6653 2118.5620 1942.4243 104.0475 -206537.0633 17969.4096 0.0000 0.0000 34228.9614 -149402.9932 298.9300 -183631.9547 -149307.2766 298.7368 58.3229 93.1882 555432.5752 -0.9538 -1.0310 PRESSURE: 2578600 -120.741 -149.089 -193.897 -149.09 -239.687 94.8819 -193.898 94.8827 -252.696 GPRESSURE: 2578600 -104.228 -322.23 -136.685 -95.5967 -215.88 93.238 -152.163 56.0379 -196.98 PRESSAVG: 2578600 28.2578 -36.2419 10.0587 -36.2419 24.5385 -27.544 10.0586 -27.5439 -46.9155 GPRESSAVG: 2578600 30.235 -34.3337 12.23 -36.9437 25.4893 -26.5171 9.41922 -26.145 -49.9439 TIMING: 2578600 CPU: 7770.7, 0.00300179/step Wall: 7770.7, 0.00300179/step, 2.01904 hours remaining, 210.515625 MB of memory in use. ENERGY: 2578600 781.9555 2091.3684 1924.3351 104.6793 -205843.9107 17530.4515 0.0000 0.0000 34295.2254 -149115.8954 299.5087 -183411.1208 -149024.3925 299.4933 -204.3749 -172.3626 557888.4051 1.9603 1.9268 PRESSURE: 2578800 37.9362 -76.2264 1.71018 -76.2252 121.65 56.6646 1.71113 56.6628 139.676 GPRESSURE: 2578800 156.109 -110.627 73.9875 -71.5904 141.341 123.246 50.7746 -75.6164 100.199 PRESSAVG: 2578800 56.3756 -20.7039 -14.7774 -20.7039 2.97731 -7.25291 -14.7774 -7.25294 2.83305 GPRESSAVG: 2578800 55.3456 -21.2681 -15.9088 -21.7373 3.40703 -6.20929 -14.5326 -8.9277 3.3949 TIMING: 2578800 CPU: 7771.3, 0.00301013/step Wall: 7771.3, 0.00301013/step, 2.02448 hours remaining, 210.515625 MB of memory in use. ENERGY: 2578800 747.8277 2096.9343 1952.1534 109.1579 -206436.7347 18109.5245 0.0000 0.0000 34292.4179 -149128.7190 299.4842 -183421.1369 -149038.3731 299.8059 99.7540 132.5499 557457.9257 20.7287 20.7159 PRESSURE: 2579000 -70.9335 72.3396 -57.0381 72.3398 71.6756 107.293 -57.0372 107.292 28.2387 GPRESSURE: 2579000 -55.6977 88.1112 -80.8303 162.979 119.406 83.5602 -109.41 161.034 71.4904 PRESSAVG: 2579000 34.8071 -3.0735 28.4906 -3.0735 -1.8734 7.1376 28.4905 7.13763 -21.1891 GPRESSAVG: 2579000 35.9767 -1.86813 28.6755 -3.19005 -2.91081 5.08788 27.5738 9.41766 -20.7456 TIMING: 2579000 CPU: 7771.9, 0.00299574/step Wall: 7771.9, 0.00299574/step, 2.01464 hours remaining, 210.515625 MB of memory in use. ENERGY: 2579000 751.4965 2151.8011 1927.0548 101.7805 -206231.3023 17768.0500 0.0000 0.0000 34371.3223 -149159.7972 300.1733 -183531.1194 -149063.7820 299.7730 9.6603 45.0661 557248.5293 3.9149 4.1068 PRESSURE: 2579200 342.922 -41.4601 39.9124 -41.4595 -0.963266 -50.8298 39.9128 -50.8299 -162.315 GPRESSURE: 2579200 404.457 -136.154 -48.0233 -135.108 7.30203 -53.1892 96.7379 12.0039 -128.078 PRESSAVG: 2579200 -1.52274 -56.2034 0.133602 -56.2034 2.14008 -43.2482 0.133602 -43.2482 10.4282 GPRESSAVG: 2579200 -1.82725 -57.1856 -0.994651 -54.8168 1.98015 -42.9836 0.935616 -45.7403 10.9195 TIMING: 2579200 CPU: 7772.5, 0.00298438/step Wall: 7772.5, 0.00298438/step, 2.00683 hours remaining, 210.515625 MB of memory in use. ENERGY: 2579200 765.7925 2020.3895 1939.9933 118.7390 -206261.0129 17903.8513 0.0000 0.0000 34231.7989 -149280.4484 298.9548 -183512.2473 -149185.0671 299.9254 59.8814 94.5603 557102.6018 3.6819 3.6908 PRESSURE: 2579400 -87.9048 -12.4053 32.5106 -12.4051 -200.45 -7.15492 32.5101 -7.15664 -232.515 GPRESSURE: 2579400 -5.90684 5.12076 -66.332 -85.3157 -232.162 -79.1417 69.8216 14.7318 -192.085 PRESSAVG: 2579400 43.6477 -54.6769 -34.3786 -54.677 15.1982 10.3169 -34.3787 10.3168 -61.0784 GPRESSAVG: 2579400 43.8512 -55.9019 -31.0241 -54.9716 14.4692 10.947 -36.657 9.07564 -60.855 TIMING: 2579400 CPU: 7773.1, 0.00299121/step Wall: 7773.1, 0.00299121/step, 2.01126 hours remaining, 210.515625 MB of memory in use. ENERGY: 2579400 752.4332 2117.4960 1948.5070 111.2651 -205907.2352 17644.7061 0.0000 0.0000 34110.7503 -149222.0775 297.8977 -183332.8277 -149127.9210 299.6913 -173.6234 -143.3847 558254.8447 -0.7442 -0.8449 PRESSURE: 2579600 123.427 -21.2773 -63.3623 -21.2775 -56.2193 -0.926625 -63.362 -0.926983 -38.6452 GPRESSURE: 2579600 150.296 28.2846 -66.5298 -35.581 17.1921 -11.0804 -30.396 9.07298 -33.2607 PRESSAVG: 2579600 10.3422 -41.4763 25.8366 -41.4764 -26.1111 -11.91 25.8366 -11.9101 3.26324 GPRESSAVG: 2579600 9.99817 -40.9331 24.0219 -41.017 -24.9498 -10.9322 26.4899 -9.14015 2.49703 TIMING: 2579600 CPU: 7773.69, 0.00297928/step Wall: 7773.69, 0.00297928/step, 2.00307 hours remaining, 210.515625 MB of memory in use. ENERGY: 2579600 745.5214 2099.7417 1934.4852 102.8685 -206290.3595 17978.8015 0.0000 0.0000 34381.7441 -149047.1971 300.2643 -183428.9412 -148958.1565 299.7983 9.5210 44.7426 558840.9937 -4.1685 -4.1515 PRESSURE: 2579800 -71.5982 0.649758 -63.3307 0.649377 -166.128 -67.0928 -63.3306 -67.0919 -188.263 GPRESSURE: 2579800 6.3197 28.0688 -23.7133 -60.589 -209.452 -92.7006 -141.209 -52.9591 -127.903 PRESSAVG: 2579800 75.7189 7.87551 20.8706 7.87551 9.80881 -13.0657 20.8706 -13.0657 -28.3503 GPRESSAVG: 2579800 75.6842 6.84523 21.6021 7.16063 9.32805 -14.5978 20.5638 -13.3865 -28.0746 TIMING: 2579800 CPU: 7774.29, 0.00299165/step Wall: 7774.29, 0.00299165/step, 2.01122 hours remaining, 210.515625 MB of memory in use. ENERGY: 2579800 737.2484 2071.1434 1950.9085 112.7773 -205843.2661 17556.0375 0.0000 0.0000 34323.4197 -149091.7314 299.7550 -183415.1510 -148989.9857 299.3537 -141.9966 -110.3450 559309.3746 19.0591 18.9792 PRESSURE: 2580000 -94.7643 -109.514 -6.64927 -109.514 105.962 18.8296 -6.65029 18.8316 -59.7678 GPRESSURE: 2580000 -75.4998 -48.8779 -30.2725 -189.311 167.877 65.7198 10.3822 48.6213 -37.4361 PRESSAVG: 2580000 -33.3265 38.2694 -52.6846 38.2694 16.2391 33.4686 -52.6846 33.4685 31.4651 GPRESSAVG: 2580000 -34.5956 38.6165 -53.5349 36.2995 16.4247 34.5271 -51.2308 33.2106 32.7701 TIMING: 2580000 CPU: 7774.88, 0.00297237/step Wall: 7774.88, 0.00297237/step, 1.99809 hours remaining, 210.515625 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: 2580000 763.4914 2067.7684 1898.2164 114.3101 -206199.6917 17979.0655 0.0000 0.0000 34316.0586 -149060.7813 299.6907 -183376.8399 -148963.7174 299.5429 -16.1899 18.3136 558389.2829 4.7926 4.8664 PRESSURE: 2580200 52.7992 -72.0114 -212.903 -72.0114 -70.1745 -131.999 -212.903 -132 21.1104 GPRESSURE: 2580200 81.1254 -91.8494 -225.783 25.2094 -37.3088 -120.996 -123.3 -118.548 52.304 PRESSAVG: 2580200 45.2178 16.4494 -70.5874 16.4493 -37.6852 8.38876 -70.5874 8.38877 -12.1752 GPRESSAVG: 2580200 45.8636 14.379 -72.3114 21.4046 -37.8289 6.57554 -70.968 10.8368 -12.6641 TIMING: 2580200 CPU: 7775.48, 0.00297742/step Wall: 7775.48, 0.00297742/step, 2.00132 hours remaining, 210.515625 MB of memory in use. ENERGY: 2580200 761.4940 2051.7868 1967.5114 113.7205 -205928.8917 17726.3373 0.0000 0.0000 34286.6259 -149021.4157 299.4336 -183308.0417 -148935.0447 299.4722 1.2451 32.0402 558834.9362 -1.5475 -1.5432 LDB: ============= START OF LOAD BALANCING ============== 7778.99 LDB: ============== END OF LOAD BALANCING =============== 7778.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7779 LDB: ============= START OF LOAD BALANCING ============== 7779.3 LDB: Largest compute 4800 load 0.026196 is 22.2% of average load 0.118054 LDB: Average compute 0.001735 is 1.5% of average load 0.118054 LDB: TIME 7779.3 LOAD: AVG 0.118054 MAX 0.209884 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.965 MB LDB: TIME 7779.3 LOAD: AVG 0.118054 MAX 0.209884 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.023 MB LDB: TIME 7779.3 LOAD: AVG 0.118054 MAX 0.209884 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.023 MB LDB: ============== END OF LOAD BALANCING =============== 7779.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7779.3 PRESSURE: 2580400 201.816 140.504 29.2687 140.504 116.51 -103.375 29.2685 -103.374 38.2299 GPRESSURE: 2580400 176.917 100.883 21.2763 135.626 182.296 -99.9703 18.4235 -115.115 101.101 PRESSAVG: 2580400 -15.656 33.3014 22.7701 33.3013 17.3314 -4.99095 22.7701 -4.99095 -8.89811 GPRESSAVG: 2580400 -16.1056 36.7208 22.6082 29.8332 17.1206 -2.02622 23.0418 -8.46079 -8.24457 TIMING: 2580400 CPU: 7776.09, 0.00304353/step Wall: 7776.09, 0.00304353/step, 2.04559 hours remaining, 208.250000 MB of memory in use. ENERGY: 2580400 742.1821 2121.2135 1907.3775 101.1182 -206490.5180 18133.2293 0.0000 0.0000 34472.6026 -149012.7950 301.0578 -183485.3976 -148919.3646 299.8969 118.8521 153.4377 557802.3237 -2.4076 -2.4098 PRESSURE: 2580600 -73.346 122.62 -75.1353 122.622 -40.9997 -120.14 -75.1363 -120.139 -19.531 GPRESSURE: 2580600 -26.3001 48.6317 -133.584 160.342 -29.6609 -134.666 -18.1431 -126.301 24.1414 PRESSAVG: 2580600 28.4738 9.37239 41.9885 9.37236 60.3898 13.8866 41.9885 13.8865 -124.004 GPRESSAVG: 2580600 28.3775 8.45037 42.4524 9.6548 61.6376 12.1953 42.347 14.8579 -124.778 TIMING: 2580600 CPU: 7776.68, 0.00297933/step Wall: 7776.68, 0.00297933/step, 2.00228 hours remaining, 208.250000 MB of memory in use. ENERGY: 2580600 733.4157 2079.1004 1905.5404 108.7399 -206111.0833 17869.1259 0.0000 0.0000 34314.9525 -149100.2085 299.6810 -183415.1610 -149001.7099 299.4118 -44.6256 -10.6065 558920.0425 -11.7134 -11.5876 PRESSURE: 2580800 -17.9413 102.91 -6.25667 102.91 -274.081 142.452 -6.25784 142.453 -31.4068 GPRESSURE: 2580800 -0.274087 175.357 88.1213 30.8773 -204.373 82.5397 -39.6085 137.747 -15.0697 PRESSAVG: 2580800 -10.6441 -0.45936 -13.0036 -0.459332 -40.2433 -12.5969 -13.0036 -12.597 32.4173 GPRESSAVG: 2580800 -9.63344 0.684058 -12.3788 -0.208076 -39.3326 -12.3955 -14.9716 -12.9261 30.5073 TIMING: 2580800 CPU: 7777.28, 0.00298159/step Wall: 7777.28, 0.00298159/step, 2.00363 hours remaining, 208.250000 MB of memory in use. ENERGY: 2580800 742.9309 2118.0307 1933.9056 120.6265 -206180.4661 17689.9006 0.0000 0.0000 34235.1770 -149339.8948 298.9843 -183575.0718 -149240.2314 300.1443 -107.8096 -73.2389 557962.9202 -6.1567 -6.1529 PRESSURE: 2581000 143.027 68.8281 20.2306 68.829 33.2526 -83.5744 20.231 -83.5748 177.618 GPRESSURE: 2581000 131.272 92.7554 -108.206 88.3979 46.6922 -121.142 71.0862 -10.461 252.444 PRESSAVG: 2581000 44.1852 -25.7759 -13.9052 -25.776 -61.3262 -28.3795 -13.9051 -28.3795 2.46846 GPRESSAVG: 2581000 44.2839 -25.7871 -13.6868 -25.7153 -63.8618 -27.6126 -12.7069 -28.2792 4.69441 TIMING: 2581000 CPU: 7777.89, 0.00302571/step Wall: 7777.89, 0.00302571/step, 2.03311 hours remaining, 208.250000 MB of memory in use. ENERGY: 2581000 766.6117 2044.1805 1943.0653 107.7005 -206205.8961 17842.3795 0.0000 0.0000 34306.7584 -149195.2003 299.6095 -183501.9587 -149094.4423 299.2165 117.9657 143.4693 558343.1970 -4.8908 -4.9612 PRESSURE: 2581200 3.76918 -63.9523 -102.732 -63.9516 -43.204 73.8605 -102.733 73.8607 58.2279 GPRESSURE: 2581200 40.2117 -80.9001 -87.3406 31.0182 8.76025 53.4861 -102.786 32.7427 63.8449 PRESSAVG: 2581200 43.0499 23.9619 -11.411 23.9619 -69.9086 -27.4991 -11.4109 -27.499 11.6177 GPRESSAVG: 2581200 42.75 23.1902 -10.4508 25.2657 -69.6148 -27.4509 -11.1642 -26.2104 11.1529 TIMING: 2581200 CPU: 7778.49, 0.00302577/step Wall: 7778.49, 0.00302577/step, 2.03298 hours remaining, 208.250000 MB of memory in use. ENERGY: 2581200 756.1163 2104.2029 1941.9899 118.6300 -206026.6684 17659.2914 0.0000 0.0000 34368.0154 -149078.4225 300.1444 -183446.4379 -148982.1452 299.7752 6.2643 37.6056 556070.3611 -5.0803 -5.2373 PRESSURE: 2581400 108.66 -58.7721 112.773 -58.7705 -55.8921 62.1929 112.772 62.193 66.4755 GPRESSURE: 2581400 177.414 16.7794 92.4986 -18.6938 -52.7585 32.6446 52.9748 97.4247 95.4998 PRESSAVG: 2581400 16.3748 -30.6417 67.7939 -30.6418 39.9554 -45.8203 67.7938 -45.8203 -25.1512 GPRESSAVG: 2581400 15.7579 -30.5697 67.6981 -31.3664 41.6703 -45.609 67.1673 -47.121 -26.2378 TIMING: 2581400 CPU: 7779.09, 0.00300012/step Wall: 7779.09, 0.00300012/step, 2.01558 hours remaining, 208.250000 MB of memory in use. ENERGY: 2581400 754.9237 2139.0828 1939.5707 116.9137 -205798.5281 17733.8705 0.0000 0.0000 34184.7100 -148929.4564 298.5436 -183114.1665 -148828.3731 299.8168 39.7479 73.3851 558729.6009 10.3930 10.3968 PRESSURE: 2581600 -146.978 6.19607 85.5166 6.19519 -322.978 112.706 85.517 112.706 -3.61112 GPRESSURE: 2581600 -83.2272 -40.4464 73.4769 40.8317 -285.796 86.9257 127.115 168.133 0.664229 PRESSAVG: 2581600 -11.2537 49.0376 -12.9508 49.0375 37.8613 14.7682 -12.9507 14.7683 14.8925 GPRESSAVG: 2581600 -11.4167 47.868 -14.381 50.0134 36.9309 13.861 -10.8005 13.501 16.1798 TIMING: 2581600 CPU: 7779.7, 0.00303905/step Wall: 7779.7, 0.00303905/step, 2.04157 hours remaining, 208.250000 MB of memory in use. ENERGY: 2581600 780.6709 2104.7891 1969.5378 111.9595 -206148.5505 17792.2451 0.0000 0.0000 34266.7466 -149122.6016 299.2600 -183389.3482 -149025.1542 300.1894 -157.8556 -122.7864 558480.9589 13.8334 13.8980 PRESSURE: 2581800 141.031 106.749 -88.8845 106.75 -161.947 -95.9529 -88.8849 -95.9539 -97.2461 GPRESSURE: 2581800 119.056 56.4904 -104.23 35.9762 -117.862 -130.861 -182.192 -145.394 -14.372 PRESSAVG: 2581800 -4.87093 7.10724 3.17298 7.1073 -54.0764 -4.72658 3.17302 -4.72662 97.8647 GPRESSAVG: 2581800 -3.78829 8.04328 5.96056 7.18372 -54.0942 -3.03604 1.72424 -4.87398 97.0587 TIMING: 2581800 CPU: 7780.3, 0.00300897/step Wall: 7780.3, 0.00300897/step, 2.02119 hours remaining, 208.250000 MB of memory in use. ENERGY: 2581800 773.2581 2110.8170 1937.0684 108.5923 -206434.2724 17808.4669 0.0000 0.0000 34461.9497 -149234.1200 300.9648 -183696.0697 -149134.4642 299.6543 -39.3873 -4.3928 558538.2919 12.9725 13.0587 PRESSURE: 2582000 42.8662 -145.57 -166.696 -145.57 -34.0136 67.2214 -166.698 67.221 81.3794 GPRESSURE: 2582000 54.9299 -67.0928 -145.964 -177.744 -8.80079 89.0056 -181.273 -30.0799 128.557 PRESSAVG: 2582000 -2.52428 -28.787 -50.9419 -28.787 -43.2997 20.0715 -50.9418 20.0715 -5.10651 GPRESSAVG: 2582000 -2.75806 -27.4438 -54.1796 -31.8923 -43.9288 17.4691 -49.8372 23.493 -4.02217 TIMING: 2582000 CPU: 7780.9, 0.00301137/step Wall: 7780.9, 0.00301137/step, 2.02264 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: 2582000 726.0331 2012.8272 1954.4940 109.3651 -206014.8315 17816.7575 0.0000 0.0000 34320.5559 -149074.7989 299.7300 -183395.3548 -148971.3615 299.6932 30.0773 58.2289 559175.0413 -16.9768 -16.9030 PRESSURE: 2582200 -196.151 -174.943 67.3288 -174.942 38.8751 38.7559 67.329 38.7545 112.146 GPRESSURE: 2582200 -158.994 -248.866 142.079 -73.3511 69.8446 36.8744 75.8754 -6.02035 143.515 PRESSAVG: 2582200 -59.8332 -3.87364 -9.89008 -3.87357 55.3489 16.3062 -9.89002 16.3061 42.0372 GPRESSAVG: 2582200 -59.6076 -5.79876 -8.21221 -3.10561 56.619 19.3034 -12.0398 12.4587 40.906 TIMING: 2582200 CPU: 7781.5, 0.00299406/step Wall: 7781.5, 0.00299406/step, 2.01084 hours remaining, 208.453125 MB of memory in use. ENERGY: 2582200 745.2780 2035.1242 1931.3566 111.9825 -206159.5852 17706.0413 0.0000 0.0000 34348.6123 -149281.1903 299.9750 -183629.8026 -149180.2475 299.8393 -15.0434 18.1220 558269.8850 12.5176 12.6391 PRESSURE: 2582400 108.505 6.16582 121.243 6.16708 -117.875 66.7832 121.242 66.7842 225.575 GPRESSURE: 2582400 145.639 27.3303 91.3197 -38.8603 -89.759 -44.6224 110.702 117.558 261.179 PRESSAVG: 2582400 -89.6586 -63.981 84.5912 -63.981 -10.3625 -24.4688 84.5912 -24.4688 74.4 GPRESSAVG: 2582400 -89.8745 -62.4164 82.8809 -64.0078 -11.2889 -25.9383 87.4373 -21.6955 75.1926 TIMING: 2582400 CPU: 7782.1, 0.00297825/step Wall: 7782.1, 0.00297825/step, 2.00006 hours remaining, 208.453125 MB of memory in use. ENERGY: 2582400 713.9848 2038.5238 1925.6754 115.9995 -206017.0046 17818.2443 0.0000 0.0000 34154.7345 -149249.8423 298.2818 -183404.5768 -149154.2489 299.1126 72.0684 105.6865 558207.1172 -8.5404 -8.6569 PRESSURE: 2582600 53.8253 -48.8501 104.173 -48.8513 201.358 58.6144 104.174 58.6143 -99.3189 GPRESSURE: 2582600 56.8102 31.9157 74.3086 -17.6126 220.326 65.9609 132.341 124.384 -15.2182 PRESSAVG: 2582600 -56.2579 27.2358 51.8687 27.2359 100.673 61.7685 51.8688 61.7686 -53.7403 GPRESSAVG: 2582600 -56.8369 27.9461 51.9587 27.4969 101.169 62.0219 51.0973 59.7214 -54.2079 TIMING: 2582600 CPU: 7782.7, 0.00303219/step Wall: 7782.7, 0.00303219/step, 2.03611 hours remaining, 208.453125 MB of memory in use. ENERGY: 2582600 744.8916 2058.8104 1921.1371 111.5902 -206296.5618 17994.1422 0.0000 0.0000 34260.4601 -149205.5302 299.2051 -183465.9903 -149115.6438 298.7960 51.9549 87.3061 557609.1309 -3.1084 -3.2918 PRESSURE: 2582800 104.935 -132.339 -98.0279 -132.339 247.525 98.8246 -98.0277 98.8253 172.141 GPRESSURE: 2582800 243.01 -160.662 -65.0799 -80.8052 198.142 38.3051 -78.47 54.5071 184.235 PRESSAVG: 2582800 -29.9087 -33.0707 0.326387 -33.0708 17.8527 4.78186 0.32635 4.78189 -27.1391 GPRESSAVG: 2582800 -29.9054 -35.0397 -0.544603 -32.7662 18.4332 5.44455 0.51605 4.75408 -27.9116 TIMING: 2582800 CPU: 7783.3, 0.0030029/step Wall: 7783.3, 0.0030029/step, 2.01628 hours remaining, 208.453125 MB of memory in use. ENERGY: 2582800 717.4433 2028.9823 1911.1026 102.2042 -206452.8242 18183.2458 0.0000 0.0000 34251.7634 -149258.0825 299.1292 -183509.8459 -149164.8475 299.1796 174.8672 208.4621 558115.2000 -13.0650 -13.1279 PRESSURE: 2583000 23.8879 -81.5076 65.2067 -81.5079 42.7587 -43.1668 65.2062 -43.1658 -293.718 GPRESSURE: 2583000 64.6106 -45.0402 -57.9639 2.25167 44.8511 27.2086 66.2946 -95.1542 -227.278 PRESSAVG: 2583000 -27.2899 -17.2884 0.620337 -17.2884 32.2241 38.7561 0.620406 38.7561 -42.9807 GPRESSAVG: 2583000 -28.6423 -17.3961 4.11173 -16.6481 33.0703 37.0212 -1.67389 42.6719 -42.3701 TIMING: 2583000 CPU: 7783.9, 0.00300075/step Wall: 7783.9, 0.00300075/step, 2.01467 hours remaining, 208.453125 MB of memory in use. ENERGY: 2583000 785.4780 1978.9753 1915.9617 116.6041 -206263.3938 17796.1127 0.0000 0.0000 34346.6581 -149323.6039 299.9579 -183670.2619 -149241.1360 299.0470 -75.6904 -39.2720 557203.9426 -12.6822 -12.6474 PRESSURE: 2583200 -106.186 -35.7532 48.0014 -35.7521 -102.925 -20.8858 48.001 -20.886 110.158 GPRESSURE: 2583200 -54.6287 -100.229 55.7833 10.3785 -32.7236 23.1401 15.2473 44.3764 93.8981 PRESSAVG: 2583200 -8.1413 -35.0757 -29.5405 -35.0756 -52.8523 -3.8126 -29.5405 -3.81253 39.3636 GPRESSAVG: 2583200 -7.60686 -32.7026 -30.1934 -34.6297 -53.5411 -3.4895 -29.3388 -4.75413 39.7739 TIMING: 2583200 CPU: 7784.5, 0.00299784/step Wall: 7784.5, 0.00299784/step, 2.01255 hours remaining, 208.453125 MB of memory in use. ENERGY: 2583200 796.2089 2045.6059 1916.9944 109.1708 -206036.1051 17753.0197 0.0000 0.0000 33982.1386 -149432.9669 296.7745 -183415.1054 -149335.9705 298.6880 -32.9841 2.1819 556567.7491 -7.2100 -7.1247 PRESSURE: 2583400 -139.372 30.8447 54.8843 30.8459 -257.836 -25.2587 54.8842 -25.2607 -44.3075 GPRESSURE: 2583400 -39.0415 105.513 -68.0095 12.1731 -263.515 -12.4844 97.1502 44.1105 -46.4889 PRESSAVG: 2583400 -23.3039 3.55744 -19.9259 3.55746 -42.484 -15.4457 -19.9259 -15.4457 87.0226 GPRESSAVG: 2583400 -22.4571 2.50812 -21.1399 5.66817 -42.3798 -13.4941 -20.8826 -16.058 86.4701 TIMING: 2583400 CPU: 7785.1, 0.00300262/step Wall: 7785.1, 0.00300262/step, 2.01559 hours remaining, 208.453125 MB of memory in use. ENERGY: 2583400 704.2958 2092.3427 1913.3375 107.8938 -206147.1609 17524.0009 0.0000 0.0000 34531.9142 -149273.3759 301.5758 -183805.2901 -149179.7230 299.4862 -147.1719 -116.3484 557606.4371 7.0782 7.2110 PRESSURE: 2583600 -104.014 -77.4667 121.71 -77.4676 -117.895 -17.2281 121.711 -17.2292 82.7421 GPRESSURE: 2583600 -33.3597 -109.29 174.384 -46.5721 -93.7057 -52.4022 48.2123 29.0425 89.0875 PRESSAVG: 2583600 -17.5788 -14.4033 -1.87807 -14.4033 -48.032 49.0727 -1.87805 49.0727 101.689 GPRESSAVG: 2583600 -17.2438 -14.0706 -2.42348 -17.4194 -49.0523 47.5417 -2.66107 49.7492 102.743 TIMING: 2583600 CPU: 7785.7, 0.00296692/step Wall: 7785.7, 0.00296692/step, 1.99146 hours remaining, 208.453125 MB of memory in use. ENERGY: 2583600 734.8114 2052.5892 1906.1151 112.6283 -205962.6278 17748.6275 0.0000 0.0000 34138.0917 -149269.7646 298.1364 -183407.8564 -149172.3466 298.5868 -46.3891 -12.6593 557696.8888 12.0259 12.1489 PRESSURE: 2583800 -111.465 1.76742 -135.89 1.76659 33.5477 -79.9756 -135.89 -79.9759 -33.401 GPRESSURE: 2583800 -98.6082 36.2274 -134.053 -5.23751 65.1464 -68.6062 -195.372 -66.9515 18.1971 PRESSAVG: 2583800 7.54349 -34.9779 -37.2534 -34.9778 -13.5024 -25.8233 -37.2534 -25.8232 25.8554 GPRESSAVG: 2583800 7.6143 -33.7494 -37.1554 -35.2549 -13.1973 -25.8355 -34.3501 -25.9871 25.7316 TIMING: 2583800 CPU: 7786.29, 0.0029649/step Wall: 7786.29, 0.0029649/step, 1.98994 hours remaining, 208.453125 MB of memory in use. ENERGY: 2583800 752.6982 2068.4593 1856.6045 104.2254 -205981.7593 17747.6331 0.0000 0.0000 34095.5066 -149356.6322 297.7645 -183452.1388 -149255.7808 298.1372 -37.1060 -5.0883 558331.3715 6.6322 6.7162 PRESSURE: 2584000 22.4664 122.784 9.39285 122.785 -139.689 20.1829 9.39157 20.1833 -25.6394 GPRESSURE: 2584000 18.7173 83.0059 -25.9844 169.247 -98.7445 -11.1222 42.7495 27.2775 29.9676 PRESSAVG: 2584000 7.78987 23.6585 5.74056 23.6585 -47.2196 28.0256 5.74057 28.0256 -3.4657 GPRESSAVG: 2584000 8.41023 21.5737 6.27446 23.8789 -47.3593 28.4719 6.50511 27.6154 -3.797 TIMING: 2584000 CPU: 7786.88, 0.00296939/step Wall: 7786.88, 0.00296939/step, 1.99279 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: 2584000 745.9787 2088.5218 1907.4410 119.9470 -206166.6902 17698.8407 0.0000 0.0000 34241.0551 -149364.9060 299.0357 -183605.9611 -149259.6241 298.1587 -47.6208 -16.6866 558570.2537 -14.2985 -14.2487 PRESSURE: 2584200 -377.008 8.40661 40.8183 8.40598 -221.026 36.5599 40.8179 36.5597 -213.453 GPRESSURE: 2584200 -365.768 -51.7811 49.7525 -6.4344 -149.71 51.6024 160.553 45.6563 -191.44 PRESSAVG: 2584200 14.5806 -16.9599 15.3655 -16.9599 -25.7733 22.7383 15.3655 22.7383 -29.276 GPRESSAVG: 2584200 13.6879 -15.6984 16.2018 -16.6995 -24.8684 21.3593 14.8633 23.9897 -29.0262 TIMING: 2584200 CPU: 7787.49, 0.00301785/step Wall: 7787.49, 0.00301785/step, 2.02514 hours remaining, 208.453125 MB of memory in use. ENERGY: 2584200 773.3380 2099.0505 1919.2299 108.2222 -206197.7344 17660.7281 0.0000 0.0000 34104.5595 -149532.6061 297.8436 -183637.1657 -149437.0291 297.8778 -270.4959 -235.6394 558602.4880 -13.4896 -13.4022 LDB: ============= START OF LOAD BALANCING ============== 7791.01 LDB: ============== END OF LOAD BALANCING =============== 7791.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7791.01 LDB: ============= START OF LOAD BALANCING ============== 7791.32 LDB: Largest compute 4801 load 0.023634 is 20.0% of average load 0.118114 LDB: Average compute 0.001726 is 1.5% of average load 0.118114 LDB: TIME 7791.32 LOAD: AVG 0.118114 MAX 0.211234 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.793 MB LDB: TIME 7791.32 LOAD: AVG 0.118114 MAX 0.211234 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.793 MB LDB: TIME 7791.32 LOAD: AVG 0.118114 MAX 0.211234 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.793 MB LDB: ============== END OF LOAD BALANCING =============== 7791.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7791.33 PRESSURE: 2584400 55.2438 63.1135 -87.6874 63.1115 159.808 -32.077 -87.6875 -32.0763 284.351 GPRESSURE: 2584400 114.399 113.596 -126.683 71.7737 168.179 -83.9372 -45.4968 61.0819 322.896 PRESSAVG: 2584400 -9.03496 -7.26334 -58.669 -7.26325 21.2931 -20.8933 -58.669 -20.8934 6.50049 GPRESSAVG: 2584400 -8.14513 -8.88614 -58.0424 -6.30288 20.2912 -20.3025 -58.837 -21.8073 6.52466 TIMING: 2584400 CPU: 7788.11, 0.00310721/step Wall: 7788.11, 0.00310721/step, 2.08494 hours remaining, 208.941406 MB of memory in use. ENERGY: 2584400 728.9750 2084.4211 1908.0139 103.2722 -206723.1196 18190.8432 0.0000 0.0000 34268.0579 -149439.5363 299.2715 -183707.5942 -149345.9049 298.6321 166.4677 201.8246 558528.2915 6.2529 6.2236 PRESSURE: 2584600 -18.6519 -168.27 -148.852 -168.269 21.2351 88.4215 -148.853 88.4207 -175.534 GPRESSURE: 2584600 -22.3262 -90.7785 -122.164 -171.699 108.194 28.1476 -168.77 37.0149 -158.522 PRESSAVG: 2584600 4.39939 19.0243 13.8263 19.0243 -62.9073 32.4914 13.8262 32.4914 22.9005 GPRESSAVG: 2584600 3.65615 21.9488 10.9182 16.3075 -61.9506 33.3196 13.7693 31.8427 21.8628 TIMING: 2584600 CPU: 7788.72, 0.00307821/step Wall: 7788.72, 0.00307821/step, 2.0653 hours remaining, 209.402344 MB of memory in use. ENERGY: 2584600 739.9638 2077.3489 1940.2046 104.5480 -206379.8062 17673.3966 0.0000 0.0000 34271.7670 -149572.5772 299.3039 -183844.3442 -149474.0764 297.8923 -57.6501 -24.2184 556900.4667 -11.8691 -12.1439 PRESSURE: 2584800 -171.062 35.6074 -54.1991 35.6076 83.7609 103.846 -54.1992 103.847 235.449 GPRESSURE: 2584800 -159.693 -50.8427 -91.9613 150.967 147.632 76.8612 -71.3814 120.811 252.362 PRESSAVG: 2584800 -58.9084 7.45558 19.6361 7.45571 -4.61861 77.0867 19.6362 77.0866 52.2235 GPRESSAVG: 2584800 -59.0697 5.17847 20.6379 10.7016 -4.16682 75.4747 20.9187 78.7197 51.9558 TIMING: 2584800 CPU: 7789.34, 0.00305124/step Wall: 7789.34, 0.00305124/step, 2.04704 hours remaining, 209.402344 MB of memory in use. ENERGY: 2584800 737.8387 2107.2935 1911.4760 117.4538 -206707.3549 18002.2445 0.0000 0.0000 34238.3547 -149592.6937 299.0121 -183831.0485 -149497.1489 298.1796 49.3824 80.1002 556964.5927 -3.7678 -3.7602 PRESSURE: 2585000 193.467 -1.13136 20.3239 -1.13062 -1.54114 -8.12215 20.3248 -8.12351 -24.0719 GPRESSURE: 2585000 177.123 -18.9642 90.0891 50.2086 -9.55465 -10.2776 -11.8274 3.41293 100.093 PRESSAVG: 2585000 -17.154 6.486 -67.3237 6.48602 -21.4269 -9.92789 -67.3238 -9.92794 25.7524 GPRESSAVG: 2585000 -14.7586 6.68752 -66.7138 5.39478 -23.335 -9.16686 -70.635 -11.6494 25.1105 TIMING: 2585000 CPU: 7789.94, 0.00301987/step Wall: 7789.94, 0.00301987/step, 2.02583 hours remaining, 209.402344 MB of memory in use. ENERGY: 2585000 747.4858 2102.4982 1935.9663 104.8710 -206647.8535 17956.8546 0.0000 0.0000 34330.4259 -149469.7517 299.8161 -183800.1776 -149366.5593 298.6867 55.9512 89.2205 557711.6242 -4.2762 -4.3277 PRESSURE: 2585200 -182.453 -52.6116 -72.5332 -52.6108 -371.243 155.961 -72.5338 155.963 -44.3267 GPRESSURE: 2585200 -176.701 -105.001 -79.361 -47.2624 -273.212 84.3033 -16.5432 168.284 -59.4316 PRESSAVG: 2585200 8.93511 -5.93437 -52.2342 -5.93429 -32.0856 -17.7048 -52.2341 -17.7048 10.4069 GPRESSAVG: 2585200 6.8125 -7.71642 -52.829 -7.49935 -31.7999 -18.7668 -50.905 -15.1306 12.1918 TIMING: 2585200 CPU: 7790.54, 0.00300165/step Wall: 7790.54, 0.00300165/step, 2.01344 hours remaining, 209.402344 MB of memory in use. ENERGY: 2585200 753.7442 2084.7165 1961.3734 117.8378 -206043.4616 17492.2922 0.0000 0.0000 34239.0875 -149394.4101 299.0185 -183633.4975 -149295.1076 298.7057 -199.3407 -169.7815 558322.0164 -4.2479 -4.2652 PRESSURE: 2585400 -47.0488 -161.283 65.7955 -161.282 15.6196 167.805 65.7961 167.806 -126.866 GPRESSURE: 2585400 -45.0372 -182.915 53.0976 -154.125 27.5523 192.814 -19.9096 184.784 -62.7607 PRESSAVG: 2585400 -29.5678 16.8377 -90.6968 16.8378 25.7339 -47.4721 -90.6969 -47.4722 -40.596 GPRESSAVG: 2585400 -30.1512 18.2679 -88.7856 17.1383 27.4459 -46.4955 -91.5766 -46.8875 -41.5712 TIMING: 2585400 CPU: 7791.15, 0.00303582/step Wall: 7791.15, 0.00303582/step, 2.03619 hours remaining, 209.402344 MB of memory in use. ENERGY: 2585400 741.8866 2071.4030 1926.7459 112.2968 -206389.2301 17812.6638 0.0000 0.0000 34231.2763 -149492.9577 298.9502 -183724.2340 -149395.6717 298.8279 -52.7651 -26.7485 558320.9153 -14.8099 -14.7588 PRESSURE: 2585600 -101.596 -45.8759 41.7763 -45.8761 -218.097 11.8106 41.7755 11.8099 -39.2807 GPRESSURE: 2585600 -92.8491 -37.1306 -41.048 -144.327 -141.629 17.6958 86.1855 90.9123 -24.0116 PRESSAVG: 2585600 -29.3694 -50.0926 28.4229 -50.0925 4.8253 13.1936 28.4229 13.1934 51.9169 GPRESSAVG: 2585600 -27.8588 -50.5428 27.9949 -48.0852 3.64353 13.685 30.1955 11.4701 51.604 TIMING: 2585600 CPU: 7791.75, 0.00303493/step Wall: 7791.75, 0.00303493/step, 2.03543 hours remaining, 209.402344 MB of memory in use. ENERGY: 2585600 754.8400 2096.3672 1941.6210 109.9658 -206204.9600 17695.9027 0.0000 0.0000 34302.3831 -149303.8801 299.5712 -183606.2632 -149208.6101 299.5847 -119.6582 -86.1634 557533.6727 9.1242 9.1296 PRESSURE: 2585800 -128.544 129.041 129.053 129.039 32.3655 -108.262 129.053 -108.262 -24.832 GPRESSURE: 2585800 -122.073 115.392 125.973 179.319 138.298 -95.0782 125.145 -52.0528 -47.7156 PRESSAVG: 2585800 -39.0892 -61.8858 21.363 -61.8857 40.6374 33.805 21.363 33.8049 6.26962 GPRESSAVG: 2585800 -39.2243 -59.1097 19.2058 -64.9568 40.9838 34.8544 19.8065 31.5915 5.93708 TIMING: 2585800 CPU: 7792.35, 0.00298449/step Wall: 7792.35, 0.00298449/step, 2.00144 hours remaining, 209.664062 MB of memory in use. ENERGY: 2585800 725.3034 2084.2897 1956.9963 110.0134 -205615.3346 17480.6485 0.0000 0.0000 34006.7927 -149251.2907 296.9898 -183258.0834 -149165.8225 299.1867 -40.3367 -10.4972 557033.5847 2.6059 2.5655 PRESSURE: 2586000 46.7147 -91.6588 84.9925 -91.6582 -191.566 44.5874 84.9926 44.5873 34.9093 GPRESSURE: 2586000 19.4158 -91.2921 100.787 -107.625 -130.943 32.5124 71.82 26.7632 91.6874 PRESSAVG: 2586000 -1.821 9.56328 63.7365 9.56329 -48.3432 46.2546 63.7365 46.2548 30.1358 GPRESSAVG: 2586000 -1.60701 6.92057 67.2135 11.0849 -50.6972 46.7017 64.2597 47.2031 31.9521 TIMING: 2586000 CPU: 7792.96, 0.00302513/step Wall: 7792.96, 0.00302513/step, 2.02852 hours remaining, 209.664062 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: 2586000 730.4507 2056.6388 1938.4824 103.5142 -205904.0732 17667.1425 0.0000 0.0000 34201.8993 -149205.9452 298.6937 -183407.8445 -149115.2695 298.7985 -36.6473 -6.6134 556888.9642 -6.6761 -6.7841 PRESSURE: 2586200 -18.4637 20.0291 93.9213 20.0286 -50.5881 -62.8068 93.9198 -62.8058 209.803 GPRESSURE: 2586200 25.0034 96.1424 -22.7152 -74.6199 -43.3481 -65.7871 95.0985 -121.61 255.856 PRESSAVG: 2586200 -27.564 -72.098 0.181953 -72.098 22.8357 -1.26968 0.181961 -1.26965 23.9759 GPRESSAVG: 2586200 -28.1942 -68.9687 -1.38662 -73.7879 23.4184 -1.4748 0.030666 -1.62284 24.1218 TIMING: 2586200 CPU: 7793.56, 0.00302451/step Wall: 7793.56, 0.00302451/step, 2.02794 hours remaining, 209.664062 MB of memory in use. ENERGY: 2586200 770.5628 2068.8338 1934.8453 118.7809 -206153.1337 17768.7373 0.0000 0.0000 34215.6488 -149275.7248 298.8138 -183491.3735 -149174.4521 299.4133 46.9172 79.1706 556586.2189 6.4159 6.4487 PRESSURE: 2586400 -109.482 78.5096 20.4625 78.5103 -100.336 -10.4124 20.4615 -10.4119 -399.087 GPRESSURE: 2586400 -96.927 5.03278 19.032 139.872 -78.2634 -29.4176 101.839 -23.6015 -334.922 PRESSAVG: 2586400 -13.392 -18.1209 11.8577 -18.1209 61.3795 -11.691 11.8577 -11.6909 -16.6704 GPRESSAVG: 2586400 -13.3779 -20.8868 10.7092 -17.5406 62.654 -15.6564 13.2626 -9.51536 -17.5526 TIMING: 2586400 CPU: 7794.16, 0.00301202/step Wall: 7794.16, 0.00301202/step, 2.01939 hours remaining, 209.664062 MB of memory in use. ENERGY: 2586400 782.7901 2073.1767 1895.8410 107.9279 -205961.9193 17473.5371 0.0000 0.0000 34282.0010 -149346.6456 299.3932 -183628.6466 -149251.6198 299.0991 -202.9682 -170.0375 555902.3848 10.4390 10.5745 PRESSURE: 2586600 130.086 -0.665016 114.105 -0.667277 34.3367 -150.761 114.105 -150.761 163.878 GPRESSURE: 2586600 220.581 -23.1253 92.0833 34.7111 3.37605 -147.967 126.734 -102.374 193.334 PRESSAVG: 2586600 27.4218 -12.4967 26.7746 -12.4967 10.0512 -37.8733 26.7747 -37.8733 -8.62048 GPRESSAVG: 2586600 27.0352 -11.0027 27.402 -11.9558 9.77385 -33.9021 25.3006 -38.0837 -8.19169 TIMING: 2586600 CPU: 7794.76, 0.0029947/step Wall: 7794.76, 0.0029947/step, 2.00761 hours remaining, 209.664062 MB of memory in use. ENERGY: 2586600 744.0560 2092.1976 1914.7309 117.0152 -206578.2962 17967.3571 0.0000 0.0000 34332.6100 -149410.3293 299.8352 -183742.9393 -149313.0830 298.9976 109.4336 139.0971 554597.7588 9.6175 9.5391 PRESSURE: 2586800 296.731 12.7176 -122.752 12.7185 66.115 -183.421 -122.752 -183.42 211.246 GPRESSURE: 2586800 304.893 50.7664 0.249984 -15.7454 158.042 -223.439 -210.4 -110.447 210.639 PRESSAVG: 2586800 69.8968 18.1804 19.7427 18.1803 -81.7016 -12.8546 19.7428 -12.8546 -8.918 GPRESSAVG: 2586800 70.5712 17.3122 21.2463 19.3087 -81.0531 -14.6441 21.0841 -12.1706 -10.1705 TIMING: 2586800 CPU: 7795.36, 0.00298123/step Wall: 7795.36, 0.00298123/step, 1.99841 hours remaining, 209.664062 MB of memory in use. ENERGY: 2586800 720.3754 2097.3697 1940.4578 112.8501 -206429.1565 17961.9406 0.0000 0.0000 34118.9680 -149477.1949 297.9694 -183596.1629 -149388.6923 298.9991 191.3639 224.5245 557097.6157 -6.9076 -6.8841 PRESSURE: 2587000 44.5938 148.483 113.798 148.484 -26.0825 150.508 113.797 150.506 49.3594 GPRESSURE: 2587000 81.1407 35.8453 124.755 82.3507 -51.3962 291.391 200.281 88.9058 139.862 PRESSAVG: 2587000 17.0792 38.8472 56.2511 38.8473 -8.27939 -13.5921 56.251 -13.592 -10.8218 GPRESSAVG: 2587000 17.0761 39.7915 56.35 37.5204 -9.58908 -11.6085 55.0842 -13.6821 -9.52558 TIMING: 2587000 CPU: 7795.96, 0.00299588/step Wall: 7795.96, 0.00299588/step, 2.00807 hours remaining, 209.664062 MB of memory in use. ENERGY: 2587000 726.9562 2048.0831 1961.4726 111.3828 -206183.9975 17704.4149 0.0000 0.0000 33912.9995 -149718.6884 296.1707 -183631.6879 -149619.1628 298.5089 22.6236 56.5354 555694.9878 -0.6740 -0.6795 PRESSURE: 2587200 -39.8708 -70.3424 -70.2591 -70.3417 -186.781 -87.6429 -70.2582 -87.6423 55.1316 GPRESSURE: 2587200 1.053 -112.68 -21.168 9.04745 -162.253 -214.944 -104.261 50.968 85.8816 PRESSAVG: 2587200 -77.6429 14.7686 24.1548 14.7687 -6.14731 -13.5136 24.1549 -13.5136 30.2451 GPRESSAVG: 2587200 -76.8115 13.68 24.0663 15.7123 -5.68185 -14.1066 24.4679 -12.7526 29.4543 TIMING: 2587200 CPU: 7796.55, 0.00298071/step Wall: 7796.55, 0.00298071/step, 1.99774 hours remaining, 209.664062 MB of memory in use. ENERGY: 2587200 722.5357 2043.5304 1942.3123 125.0017 -206493.4152 17664.5879 0.0000 0.0000 34361.5671 -149633.8802 300.0881 -183995.4473 -149534.2809 297.9658 -57.1732 -25.1062 557033.6252 -17.8484 -17.6797 PRESSURE: 2587400 -337.669 -7.2923 -29.7896 -7.29286 -86.2334 29.3521 -29.7897 29.3532 56.53 GPRESSURE: 2587400 -278.478 36.7595 -74.299 -53.1445 -45.7442 -80.6952 -69.7645 106.101 55.8049 PRESSAVG: 2587400 24.8095 11.0971 -53.905 11.0972 -22.6375 -11.8233 -53.905 -11.8232 12.099 GPRESSAVG: 2587400 24.9012 11.1668 -54.5711 10.5993 -23.4409 -13.0657 -53.7861 -12.575 12.7331 TIMING: 2587400 CPU: 7797.15, 0.00297639/step Wall: 7797.15, 0.00297639/step, 1.99468 hours remaining, 209.664062 MB of memory in use. ENERGY: 2587400 760.4975 2031.4946 1920.4197 113.2287 -206209.4972 17611.1236 0.0000 0.0000 34054.4315 -149718.3016 297.4058 -183772.7331 -149626.4866 298.8764 -122.4575 -89.4724 556151.8597 4.7570 4.7311 PRESSURE: 2587600 -239.987 -146.526 -148.677 -146.526 -114.031 36.9826 -148.677 36.9831 11.0853 GPRESSURE: 2587600 -150.7 -112.368 -213.404 -125.855 -51.6398 26.8096 -126.986 -1.14447 -26.2251 PRESSAVG: 2587600 16.9452 -39.1359 -53.0247 -39.1359 -23.1917 -12.0929 -53.0247 -12.093 43.8556 GPRESSAVG: 2587600 16.0353 -38.7121 -53.1738 -38.3755 -21.6648 -11.3324 -54.6671 -11.3886 43.8355 TIMING: 2587600 CPU: 7797.74, 0.00297947/step Wall: 7797.74, 0.00297947/step, 1.99657 hours remaining, 209.664062 MB of memory in use. ENERGY: 2587600 728.7802 2077.7451 1957.0672 135.0890 -206549.5164 17761.4617 0.0000 0.0000 34238.7288 -149650.6444 299.0153 -183889.3733 -149555.3482 298.5815 -114.3110 -76.1882 556227.4250 12.5364 12.7353 PRESSURE: 2587800 -137.637 39.9936 0.850861 39.9933 -68.407 45.811 0.850975 45.8118 -6.76824 GPRESSURE: 2587800 -50.257 89.938 -4.66679 22.6449 -84.7639 -8.57418 6.32488 38.7813 19.9264 PRESSAVG: 2587800 4.49152 46.1178 5.9697 46.1177 -50.2478 -37.5046 5.96982 -37.5045 32.0182 GPRESSAVG: 2587800 4.74812 45.4819 6.7736 46.7113 -50.5712 -39.0265 5.53082 -37.9905 31.3965 TIMING: 2587800 CPU: 7798.35, 0.00300252/step Wall: 7798.35, 0.00300252/step, 2.01185 hours remaining, 209.664062 MB of memory in use. ENERGY: 2587800 749.6906 2042.5554 1945.4467 122.8492 -206366.0629 17815.4792 0.0000 0.0000 34096.9555 -149593.0862 297.7772 -183690.0417 -149502.7790 298.6168 -70.9374 -38.3648 556634.8212 -4.5793 -4.8088 PRESSURE: 2588000 -199.069 -68.1432 3.15766 -68.1429 -363.403 54.5137 3.15773 54.5151 -199.693 GPRESSURE: 2588000 -198.918 7.34023 9.82736 -42.9028 -309.547 54.1445 -1.19115 98.4816 -154.87 PRESSAVG: 2588000 72.4858 3.13825 21.6758 3.13822 -16.8972 -43.0194 21.6757 -43.0193 6.08371 GPRESSAVG: 2588000 73.0835 2.71897 21.8768 1.28384 -17.1175 -42.2243 22.0835 -43.2652 5.89658 TIMING: 2588000 CPU: 7798.95, 0.003006/step Wall: 7798.95, 0.003006/step, 2.01402 hours remaining, 209.664062 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: 2588000 785.7842 2098.4790 1960.6629 109.6224 -205990.9414 17460.0478 0.0000 0.0000 34086.0045 -149490.3407 297.6816 -183576.3451 -149396.2995 298.4151 -254.0551 -221.1116 557036.0791 20.5575 20.6208 PRESSURE: 2588200 -151.436 145.767 57.9872 145.767 113.93 18.2751 57.9869 18.2749 -134.022 GPRESSURE: 2588200 -112.206 96.2309 -45.9051 216.532 84.078 -62.061 61.1168 -25.8168 -46.944 PRESSAVG: 2588200 33.1101 -11.8967 10.7552 -11.8966 -1.08982 -30.8674 10.7553 -30.8673 -9.63911 GPRESSAVG: 2588200 32.5168 -12.0088 7.32133 -10.9842 -1.61597 -32.4977 10.9763 -29.9391 -9.13398 TIMING: 2588200 CPU: 7799.55, 0.00301925/step Wall: 7799.55, 0.00301925/step, 2.02273 hours remaining, 209.664062 MB of memory in use. ENERGY: 2588200 705.3226 2048.4847 1931.2658 106.7095 -206037.0921 17561.7106 0.0000 0.0000 34135.5964 -149548.0026 298.1147 -183683.5989 -149455.2916 298.7922 -57.1759 -25.0240 556472.1791 7.4604 7.2556 LDB: ============= START OF LOAD BALANCING ============== 7803.07 LDB: ============== END OF LOAD BALANCING =============== 7803.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7803.07 LDB: ============= START OF LOAD BALANCING ============== 7803.38 LDB: Largest compute 4772 load 0.027517 is 23.3% of average load 0.118093 LDB: Average compute 0.001732 is 1.5% of average load 0.118093 LDB: TIME 7803.38 LOAD: AVG 0.118093 MAX 0.208927 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.48 MB LDB: TIME 7803.38 LOAD: AVG 0.118093 MAX 0.208927 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.684 MB LDB: TIME 7803.38 LOAD: AVG 0.118093 MAX 0.208927 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.684 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7803.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7803.38 PRESSURE: 2588400 -153.161 -116.628 -108.792 -116.628 -244.106 -139.455 -108.792 -139.456 -36.5156 GPRESSURE: 2588400 -118.692 -153.582 -11.3834 -55.1939 -161.467 -55.5336 -238.5 -209.247 -40.7694 PRESSAVG: 2588400 70.2953 -6.7445 27.6686 -6.74452 0.128421 -12.6652 27.6685 -12.6652 -7.35431 GPRESSAVG: 2588400 69.3903 -6.51552 32.4309 -7.49527 0.952175 -9.66192 26.8724 -15.9552 -6.51313 TIMING: 2588400 CPU: 7800.17, 0.00308757/step Wall: 7800.17, 0.00308757/step, 2.06833 hours remaining, 208.687500 MB of memory in use. ENERGY: 2588400 779.9239 2009.1877 1941.0852 103.7237 -206145.2591 17686.6342 0.0000 0.0000 34276.8498 -149347.8547 299.3483 -183624.7044 -149258.4408 298.7432 -144.5945 -106.9762 558136.3453 21.0231 21.2764 PRESSURE: 2588600 75.8906 87.0533 -224.867 87.0525 -57.5707 -116.767 -224.866 -116.767 25.5093 GPRESSURE: 2588600 106.304 154.57 -201.791 10.6974 -36.3356 -130.942 -233.592 -23.9445 75.4995 PRESSAVG: 2588600 51.1377 30.5393 -0.315348 30.5393 -44.4146 -4.60927 -0.315363 -4.60932 22.9437 GPRESSAVG: 2588600 53.2431 30.7562 -2.20104 29.8094 -45.5801 -6.3984 0.371897 -1.41688 22.1955 TIMING: 2588600 CPU: 7800.77, 0.00301803/step Wall: 7800.77, 0.00301803/step, 2.02158 hours remaining, 208.687500 MB of memory in use. ENERGY: 2588600 684.1806 2116.5692 1939.0309 114.1562 -206241.1426 17725.8792 0.0000 0.0000 34152.2736 -149509.0530 298.2603 -183661.3266 -149416.3702 298.5244 14.6097 48.4894 556779.5107 9.8889 9.9528 PRESSURE: 2588800 96.2151 -19.6088 44.0446 -19.6087 -61.1962 -22.2387 44.0454 -22.238 -136.932 GPRESSURE: 2588800 188.371 -63.2825 88.7497 29.0148 -75.6634 7.31892 18.4075 28.9266 -122.598 PRESSAVG: 2588800 23.2452 1.01394 -22.5546 1.01396 -45.1664 1.65523 -22.5544 1.65526 19.2948 GPRESSAVG: 2588800 23.7879 0.387284 -24.0029 3.69593 -44.3661 1.06486 -20.475 -0.0101131 18.6676 TIMING: 2588800 CPU: 7801.37, 0.00301509/step Wall: 7801.37, 0.00301509/step, 2.01944 hours remaining, 208.687500 MB of memory in use. ENERGY: 2588800 716.5568 2120.6661 1930.1003 112.2283 -206170.2692 17728.8468 0.0000 0.0000 34166.2115 -149395.6592 298.3820 -183561.8708 -149290.6039 298.3381 -33.9710 -3.2969 557493.9973 -0.8755 -0.6369 PRESSURE: 2589000 184.221 -34.8563 -197.443 -34.8564 -366.232 80.5322 -197.444 80.534 172.866 GPRESSURE: 2589000 295.826 -52.2968 -156.674 -76.0116 -378.462 -47.1157 -134.583 171.166 162.199 PRESSAVG: 2589000 98.0768 -17.5696 -9.7092 -17.5696 -66.2721 -22.2737 -9.70916 -22.2737 -21.3066 GPRESSAVG: 2589000 97.5547 -16.5648 -7.61371 -19.437 -66.6903 -20.811 -12.5312 -22.3888 -19.9381 TIMING: 2589000 CPU: 7801.97, 0.00297923/step Wall: 7801.97, 0.00297923/step, 1.99526 hours remaining, 208.687500 MB of memory in use. ENERGY: 2589000 732.1301 2052.2079 1944.9805 108.9438 -206058.5286 17672.4263 0.0000 0.0000 34243.6115 -149304.2285 299.0580 -183547.8400 -149215.3572 298.5955 -3.0484 26.5211 557234.1495 3.4994 3.6421 PRESSURE: 2589200 -259.74 -60.0196 -31.9667 -60.0193 11.4289 15.7963 -31.9659 15.7984 -19.4906 GPRESSURE: 2589200 -244.537 -82.794 -106.047 -49.6978 60.4111 -38.4409 -87.4132 9.79097 15.6858 PRESSAVG: 2589200 2.47169 -36.5251 -16.6461 -36.525 13.0482 11.9472 -16.646 11.9472 6.15248 GPRESSAVG: 2589200 2.61632 -40.3023 -14.6802 -32.8039 12.8591 11.3797 -17.1809 12.1852 5.88411 TIMING: 2589200 CPU: 7802.56, 0.00295061/step Wall: 7802.56, 0.00295061/step, 1.97592 hours remaining, 208.687500 MB of memory in use. ENERGY: 2589200 766.9696 2005.1163 1956.3187 106.2923 -206100.0516 17747.1290 0.0000 0.0000 34178.5891 -149339.6367 298.4901 -183518.2258 -149242.1152 299.4542 -89.2673 -56.1467 556518.3286 7.2241 7.1199 PRESSURE: 2589400 384.694 -8.96293 0.17848 -8.96262 204.3 66.423 0.178899 66.4235 144.585 GPRESSURE: 2589400 387.291 -26.1129 -13.0756 -43.8909 263.893 139.778 -92.1636 27.3697 172.749 PRESSAVG: 2589400 7.52455 -13.1523 -4.23725 -13.1523 17.1753 -21.536 -4.23721 -21.5361 -30.7327 GPRESSAVG: 2589400 7.06758 -8.36446 -7.89736 -16.5657 17.5277 -23.6251 -1.7577 -19.7525 -30.8249 TIMING: 2589400 CPU: 7803.16, 0.00298852/step Wall: 7803.16, 0.00298852/step, 2.00114 hours remaining, 208.687500 MB of memory in use. ENERGY: 2589400 735.9439 2082.3766 1944.9467 110.8594 -206992.8942 18338.1494 0.0000 0.0000 34509.7611 -149270.8571 301.3823 -183780.6182 -149176.4624 299.6270 244.5267 274.6442 555231.3059 -2.0110 -2.0765 PRESSURE: 2589600 72.2385 -163.613 29.9263 -163.613 -324.011 102.686 29.9264 102.686 -129.167 GPRESSURE: 2589600 118.944 -118.259 79.3987 -220.01 -269.064 161.397 61.8556 128.007 -134.9 PRESSAVG: 2589600 31.8245 6.70108 -11.0734 6.70108 16.4634 5.02514 -11.0734 5.02512 -7.077 GPRESSAVG: 2589600 31.7022 5.14021 -8.66837 7.81801 16.5033 7.14697 -12.4021 5.39374 -6.59246 TIMING: 2589600 CPU: 7803.75, 0.00297035/step Wall: 7803.75, 0.00297035/step, 1.98881 hours remaining, 208.687500 MB of memory in use. ENERGY: 2589600 726.2314 2088.0200 1927.1005 103.3113 -206184.7047 17675.0095 0.0000 0.0000 34426.6890 -149238.3430 300.6568 -183665.0319 -149137.8199 299.7714 -126.9798 -95.0065 557071.6789 13.7370 13.8710 PRESSURE: 2589800 -290.862 -158.08 -66.9502 -158.081 -189.229 -83.4002 -66.9498 -83.3989 -183.742 GPRESSURE: 2589800 -218.31 -142.853 -83.2346 -172.878 -208.863 -206.073 12.0002 13.8144 -146.682 PRESSAVG: 2589800 -10.8084 -25.4444 34.2551 -25.4445 -21.9281 6.21326 34.2551 6.21329 15.9899 GPRESSAVG: 2589800 -10.5957 -22.7507 32.6492 -25.9692 -22.386 7.64733 35.4275 3.62266 16.8428 TIMING: 2589800 CPU: 7804.35, 0.00297689/step Wall: 7804.35, 0.00297689/step, 1.99303 hours remaining, 208.687500 MB of memory in use. ENERGY: 2589800 721.0075 2050.2942 1945.7703 118.6960 -206223.2169 17615.3358 0.0000 0.0000 34455.6293 -149316.4838 300.9096 -183772.1131 -149221.3029 299.3463 -221.2776 -191.2851 558958.6482 -5.5822 -5.3796 PRESSURE: 2590000 -327.71 -39.7393 41.6711 -39.739 -181.072 196.461 41.6721 196.461 59.4855 GPRESSURE: 2590000 -274.91 -18.1529 81.9368 -52.6563 -195.416 192.07 5.07277 148.265 119.016 PRESSAVG: 2590000 -36.6041 -54.5232 -2.568 -54.5232 -38.0187 -1.86158 -2.56798 -1.86161 38.4669 GPRESSAVG: 2590000 -36.2389 -54.069 -2.13005 -54.8376 -37.3362 -5.82429 -3.64668 -0.0422397 37.6204 TIMING: 2590000 CPU: 7804.95, 0.00299944/step Wall: 7804.95, 0.00299944/step, 2.00796 hours remaining, 208.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2590000 765.8954 2044.3468 1923.9907 101.4518 -206279.4125 17633.8917 0.0000 0.0000 34424.8904 -149384.9457 300.6411 -183809.8361 -149289.0682 299.0788 -149.7656 -117.1033 557421.0878 -12.0520 -11.9849 PRESSURE: 2590200 -6.05786 101.552 66.4547 101.553 -255.544 116.09 66.4535 116.089 60.0225 GPRESSURE: 2590200 -3.06978 73.4249 65.3097 145.351 -182.873 93.3972 72.1823 180.77 73.2954 PRESSAVG: 2590200 11.7549 -41.6374 2.97874 -41.6374 37.1363 22.6279 2.97866 22.6278 13.482 GPRESSAVG: 2590200 11.2053 -45.9889 3.49511 -41.461 36.988 25.762 4.19473 21.8425 14.4364 TIMING: 2590200 CPU: 7805.55, 0.00300784/step Wall: 7805.55, 0.00300784/step, 2.01341 hours remaining, 208.687500 MB of memory in use. ENERGY: 2590200 750.8494 2090.4250 1924.6513 109.2113 -206156.5344 17732.6360 0.0000 0.0000 34088.3047 -149460.4566 297.7016 -183548.7613 -149357.4014 299.3952 -67.1933 -37.5491 557777.3713 20.7911 20.8766 PRESSURE: 2590400 97.1265 -3.03319 -22.1619 -3.03221 -20.1965 -53.1855 -22.1627 -53.1859 140.917 GPRESSURE: 2590400 113.129 -26.1698 65.9651 19.2766 49.5574 -11.9404 -43.8534 9.45729 144.162 PRESSAVG: 2590400 4.59091 -53.3587 11.292 -53.3586 -4.58127 -27.0683 11.292 -27.0684 15.0636 GPRESSAVG: 2590400 5.09111 -50.1736 11.0775 -54.8987 -4.2936 -26.7729 10.3683 -27.7075 14.1354 TIMING: 2590400 CPU: 7806.15, 0.00302502/step Wall: 7806.15, 0.00302502/step, 2.02475 hours remaining, 208.687500 MB of memory in use. ENERGY: 2590400 722.2405 2083.5542 1926.4409 106.4829 -206558.8793 18016.4951 0.0000 0.0000 34289.2521 -149414.4135 299.4566 -183703.6657 -149318.2140 298.1535 72.6158 102.2831 558162.2728 5.0244 4.9776 PRESSURE: 2590600 -177.407 -25.7978 -99.3129 -25.7982 -152.381 -87.5606 -99.3135 -87.5614 -9.95593 GPRESSURE: 2590600 -174.147 40.8508 -184.264 -76.6755 -89.3663 -131.098 -27.3451 -80.6523 26.1013 PRESSAVG: 2590600 -14.118 -4.06629 -11.8489 -4.06627 -45.0924 -12.2246 -11.849 -12.2246 40.011 GPRESSAVG: 2590600 -15.4914 -5.44073 -11.302 -0.982363 -43.3354 -10.9358 -11.8414 -13.2003 40.0595 TIMING: 2590600 CPU: 7806.77, 0.00306545/step Wall: 7806.77, 0.00306545/step, 2.05164 hours remaining, 208.687500 MB of memory in use. ENERGY: 2590600 714.4693 2058.2325 1930.3980 103.8298 -206264.9991 17722.9926 0.0000 0.0000 34329.2415 -149405.8354 299.8058 -183735.0769 -149311.7614 298.2229 -113.2479 -79.1374 558425.0532 -6.3998 -6.2558 PRESSURE: 2590800 -281.965 -104.676 -40.4478 -104.675 169.226 71.1661 -40.4476 71.1673 74.5296 GPRESSURE: 2590800 -221.813 -61.7615 -70.5571 -51.4704 192.608 31.8729 -81.5938 35.8162 90.0571 PRESSAVG: 2590800 11.9918 1.79506 -29.7744 1.79499 -66.8362 -28.9144 -29.7745 -28.9142 26.3599 GPRESSAVG: 2590800 12.9912 2.54361 -29.6566 -0.894152 -67.9025 -30.8296 -30.6787 -27.3727 26.6834 TIMING: 2590800 CPU: 7807.37, 0.00300268/step Wall: 7807.37, 0.00300268/step, 2.00946 hours remaining, 208.687500 MB of memory in use. ENERGY: 2590800 728.6036 2072.3487 1934.9395 108.1276 -206162.4906 17739.7430 0.0000 0.0000 34185.5534 -149393.1748 298.5509 -183578.7282 -149296.5011 298.5187 -12.7364 20.2839 557953.9538 -9.4948 -9.4093 PRESSURE: 2591000 -4.81542 185.203 133.761 185.202 -422.823 -21.1798 133.762 -21.1789 -181.799 GPRESSURE: 2591000 14.0068 158.239 167.895 221.402 -377.668 89.7527 103.547 -35.2978 -145.576 PRESSAVG: 2591000 -16.9925 35.1786 4.7642 35.1785 20.014 0.352255 4.76422 0.352291 13.1294 GPRESSAVG: 2591000 -15.3943 34.5276 5.0191 36.5449 18.6468 -0.44377 5.14915 0.670162 13.0555 TIMING: 2591000 CPU: 7807.97, 0.00300182/step Wall: 7807.97, 0.00300182/step, 2.00872 hours remaining, 208.687500 MB of memory in use. ENERGY: 2591000 757.3827 2116.1624 1909.4499 115.8975 -206131.2199 17549.6883 0.0000 0.0000 34233.0519 -149449.5871 298.9658 -183682.6390 -149345.9561 298.7664 -203.1457 -169.7457 558337.4892 5.3836 5.4360 PRESSURE: 2591200 -167.251 -18.2707 59.8378 -18.2695 -356.404 -97.2632 59.8367 -97.2613 61.5434 GPRESSURE: 2591200 -123.898 -77.0275 158.146 -10.2212 -334.983 -233.609 42.1337 13.4721 95.9811 PRESSAVG: 2591200 48.3429 -39.1468 17.081 -39.1467 -61.0386 59.0149 17.081 59.0149 18.9603 GPRESSAVG: 2591200 48.6987 -41.116 16.0864 -38.7865 -61.035 59.6788 18.8136 58.9257 18.5568 TIMING: 2591200 CPU: 7808.56, 0.00298557/step Wall: 7808.56, 0.00298557/step, 1.99768 hours remaining, 208.757812 MB of memory in use. ENERGY: 2591200 770.4095 2112.4977 1918.1364 117.4200 -206506.6532 17755.5346 0.0000 0.0000 34288.3062 -149544.3489 299.4483 -183832.6551 -149447.2077 298.6792 -154.0373 -120.9668 557879.8685 2.0882 2.0735 PRESSURE: 2591400 131.39 94.9074 113.769 94.9082 -71.8883 -163.597 113.768 -163.597 1.00475 GPRESSURE: 2591400 146.804 42.6147 177.161 111.899 -3.91533 -144.58 -31.1066 -114.467 18.7921 PRESSAVG: 2591400 44.9089 -26.595 -1.47491 -26.595 -67.5483 -38.1589 -1.47497 -38.1588 21.6723 GPRESSAVG: 2591400 43.408 -25.1473 -1.87613 -27.0826 -67.6464 -37.837 -3.57067 -39.3732 23.2332 TIMING: 2591400 CPU: 7809.16, 0.00298323/step Wall: 7809.16, 0.00298323/step, 1.99595 hours remaining, 208.757812 MB of memory in use. ENERGY: 2591400 717.9521 2094.8488 1938.2981 110.5384 -206623.1495 17837.4691 0.0000 0.0000 34329.6885 -149594.3544 299.8097 -183924.0429 -149497.6090 299.3028 20.1690 53.8935 555085.6167 -0.3224 -0.3351 PRESSURE: 2591600 -147.79 180.677 -41.4948 180.677 -254.53 121.404 -41.4954 121.405 -110.268 GPRESSURE: 2591600 -152.539 84.1992 -113.943 190.924 -263.085 154.358 -46.9797 65.0338 -0.586876 PRESSAVG: 2591600 18.4933 17.8376 23.1082 17.8376 -26.8389 -41.2494 23.1082 -41.2495 20.565 GPRESSAVG: 2591600 17.6928 18.3707 23.2176 18.7266 -26.1817 -42.057 24.576 -40.0413 20.4051 TIMING: 2591600 CPU: 7809.77, 0.00303126/step Wall: 7809.77, 0.00303126/step, 2.02791 hours remaining, 208.757812 MB of memory in use. ENERGY: 2591600 752.6590 2089.0450 1957.2749 103.4304 -206073.7480 17361.2537 0.0000 0.0000 34225.9227 -149584.1623 298.9035 -183810.0850 -149484.1292 299.2056 -170.8626 -138.7371 557022.7284 4.0731 3.9720 PRESSURE: 2591800 -127.422 31.711 138.367 31.7109 -101.802 -110.49 138.367 -110.49 -43.0351 GPRESSURE: 2591800 -97.1514 -23.6222 104.002 94.2465 -49.8486 -124.216 158.114 -119.572 -36.0705 PRESSAVG: 2591800 -36.6932 -13.9265 76.278 -13.9264 74.9019 -24.7581 76.278 -24.7582 8.87924 GPRESSAVG: 2591800 -36.1221 -13.9135 75.1069 -13.9946 74.942 -24.3814 77.6764 -23.4157 7.30038 TIMING: 2591800 CPU: 7810.37, 0.00299301/step Wall: 7810.37, 0.00299301/step, 2.00215 hours remaining, 208.757812 MB of memory in use. ENERGY: 2591800 742.8368 2106.4457 1952.0335 112.4974 -205988.2984 17629.0962 0.0000 0.0000 33990.1398 -149455.2488 296.8443 -183445.3886 -149363.5613 299.1133 -90.7530 -61.0235 555709.0846 15.6960 15.3734 PRESSURE: 2592000 -22.2924 17.7499 50.1182 17.7493 -247.002 72.3385 50.1175 72.3388 -16.8015 GPRESSURE: 2592000 -1.46387 32.8991 44.4367 3.33931 -224.522 73.9494 6.18585 26.5704 28.7423 PRESSAVG: 2592000 -125.475 53.9634 29.9488 53.9634 55.5807 -15.29 29.9488 -15.2902 60.7014 GPRESSAVG: 2592000 -124.818 53.8874 32.4225 53.7896 54.5344 -14.0191 28.2909 -18.1184 61.1597 TIMING: 2592000 CPU: 7810.96, 0.00298848/step Wall: 7810.96, 0.00298848/step, 1.99896 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: 2592000 722.4600 2116.6770 1927.0548 96.4074 -205757.0703 17487.0646 0.0000 0.0000 34156.6318 -149250.7746 298.2984 -183407.4064 -149149.7710 299.0124 -95.3653 -65.7480 557272.6287 -3.0644 -3.0414 PRESSURE: 2592200 -175.991 -133.55 88.8928 -133.55 137.295 -92.4932 88.892 -92.4941 245.381 GPRESSURE: 2592200 -154.027 -197.916 93.7839 -167.749 192.668 -116.302 31.46 -137.866 273.45 PRESSAVG: 2592200 -56.0384 -16.5663 -31.4652 -16.5663 -1.42294 -8.9593 -31.4652 -8.95916 63.5328 GPRESSAVG: 2592200 -56.2193 -17.1361 -32.9432 -18.1989 -0.959781 -10.8247 -31.8044 -7.53188 63.7298 TIMING: 2592200 CPU: 7811.56, 0.00298419/step Wall: 7811.56, 0.00298419/step, 1.99593 hours remaining, 208.757812 MB of memory in use. ENERGY: 2592200 772.7070 2098.3235 1935.1752 111.0084 -206426.4411 17899.3237 0.0000 0.0000 34184.2003 -149425.7029 298.5391 -183609.9032 -149321.2072 298.7899 68.8948 104.0303 555562.8032 2.0238 2.1836 LDB: ============= START OF LOAD BALANCING ============== 7815.08 LDB: ============== END OF LOAD BALANCING =============== 7815.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7815.08 LDB: ============= START OF LOAD BALANCING ============== 7815.38 LDB: Largest compute 4801 load 0.023050 is 19.5% of average load 0.118157 LDB: Average compute 0.001724 is 1.5% of average load 0.118157 LDB: TIME 7815.38 LOAD: AVG 0.118157 MAX 0.205862 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.969 MB LDB: TIME 7815.38 LOAD: AVG 0.118157 MAX 0.205862 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210 MB LDB: TIME 7815.38 LOAD: AVG 0.118157 MAX 0.205862 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7815.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7815.39 PRESSURE: 2592400 -287.408 -123.022 1.61876 -123.022 -152.136 -127.387 1.61781 -127.387 -133.387 GPRESSURE: 2592400 -230.231 -157.034 86.9091 -119.05 -124.13 -142.742 -136.016 -94.7303 -132.095 PRESSAVG: 2592400 -20.1948 -68.1183 -61.2182 -68.1183 -51.8849 -2.89548 -61.2181 -2.89542 53.5291 GPRESSAVG: 2592400 -21.2312 -67.4755 -58.6758 -66.9483 -51.5119 -1.24861 -61.5602 -2.82224 54.2345 TIMING: 2592400 CPU: 7812.17, 0.00305103/step Wall: 7812.17, 0.00305103/step, 2.04046 hours remaining, 211.003906 MB of memory in use. ENERGY: 2592400 771.2088 2072.7408 1965.4418 102.7007 -206415.9491 17712.2245 0.0000 0.0000 34226.7798 -149564.8527 298.9110 -183791.6325 -149464.9867 298.2421 -190.9772 -162.1520 557306.6810 -6.1836 -6.1695 PRESSURE: 2592600 92.0187 106.217 -48.6944 106.22 -81.8326 -27.9721 -48.6959 -27.9717 21.6082 GPRESSURE: 2592600 108.868 118.63 -67.3715 82.6723 -28.7717 20.9719 16.6546 -53.5431 60.946 PRESSAVG: 2592600 -17.6827 2.15845 6.73403 2.15854 -18.5858 -28.0352 6.73402 -28.0352 3.77911 GPRESSAVG: 2592600 -16.9924 0.226081 3.09885 1.55174 -20.0485 -28.6702 9.10191 -27.5327 3.74241 TIMING: 2592600 CPU: 7812.77, 0.00298239/step Wall: 7812.77, 0.00298239/step, 1.99439 hours remaining, 211.074219 MB of memory in use. ENERGY: 2592600 771.4365 2099.2421 1944.2127 123.9968 -206664.4820 18002.2440 0.0000 0.0000 34179.9675 -149543.3824 298.5022 -183723.3499 -149450.8546 298.2925 10.5981 47.0141 557372.6706 -10.8298 -11.0995 PRESSURE: 2592800 -30.8698 -128.215 -30.8017 -128.216 59.8855 -155.16 -30.8017 -155.161 -70.8144 GPRESSURE: 2592800 75.2927 -73.2161 11.3259 -132.096 27.7577 -215.6 23.7156 -123.138 -50.5147 PRESSAVG: 2592800 -17.8427 -64.2105 17.805 -64.2105 1.59719 -69.073 17.8051 -69.0731 12.725 GPRESSAVG: 2592800 -18.3604 -63.0993 19.0645 -64.9014 1.17655 -71.8179 15.043 -68.4134 12.7849 TIMING: 2592800 CPU: 7813.37, 0.00302285/step Wall: 7813.37, 0.00302285/step, 2.02128 hours remaining, 211.074219 MB of memory in use. ENERGY: 2592800 741.9734 2033.1295 1948.2537 108.2702 -206192.1623 17732.6511 0.0000 0.0000 34108.4119 -149519.4726 297.8772 -183627.8844 -149423.2638 298.2982 -13.9329 17.5119 558531.3288 -1.1735 -1.4663 PRESSURE: 2593000 114.101 67.8706 59.3011 67.8698 148.977 -13.8113 59.3015 -13.8137 -56.8475 GPRESSURE: 2593000 171.473 97.8678 -6.56177 56.814 161.332 22.0973 99.7037 18.7203 -23.1501 PRESSAVG: 2593000 25.6835 -14.1844 -2.96441 -14.1845 -13.444 -31.3879 -2.96448 -31.3879 -15.1632 GPRESSAVG: 2593000 25.5403 -11.8516 -2.14342 -13.1894 -12.5974 -29.5206 -3.36846 -32.1863 -15.55 TIMING: 2593000 CPU: 7813.98, 0.00304997/step Wall: 7813.98, 0.00304997/step, 2.03925 hours remaining, 211.074219 MB of memory in use. ENERGY: 2593000 746.1973 2096.9298 1952.4986 111.3855 -206684.1609 18169.6384 0.0000 0.0000 33969.9658 -149637.5454 296.6682 -183607.5112 -149537.4082 298.8416 68.7432 103.2182 557400.8470 -0.9746 -0.8690 PRESSURE: 2593200 -113.758 -43.1679 179.753 -43.1669 -173.155 52.6722 179.754 52.6738 -127.488 GPRESSURE: 2593200 -47.8769 -27.9552 172.098 -19.1576 -139.467 86.0928 162.61 52.8826 -118.987 PRESSAVG: 2593200 -20.4381 20.1677 21.3925 20.1677 -14.1356 3.85948 21.3923 3.85938 29.9396 GPRESSAVG: 2593200 -19.7012 18.9558 21.2333 19.0514 -14.9342 4.395 22.2777 4.27623 29.5392 TIMING: 2593200 CPU: 7814.59, 0.00303419/step Wall: 7814.59, 0.00303419/step, 2.02853 hours remaining, 211.074219 MB of memory in use. ENERGY: 2593200 722.9005 2040.5446 1960.8685 114.5777 -206390.7029 17678.6170 0.0000 0.0000 34304.1644 -149569.0301 299.5868 -183873.1945 -149474.6687 298.4834 -138.1337 -102.1102 558344.1512 -1.5447 -1.6987 PRESSURE: 2593400 59.9228 33.7978 276.459 33.7973 -24.5431 14.0158 276.46 14.0155 -107.121 GPRESSURE: 2593400 85.4441 -4.19368 323.356 -11.4413 75.5731 33.1356 257.147 28.6349 -131.354 PRESSAVG: 2593400 -9.44954 -43.3465 73.4172 -43.3464 -32.6756 4.7701 73.4173 4.77008 16.9819 GPRESSAVG: 2593400 -10.4362 -43.4177 72.7069 -43.7629 -31.806 3.93433 74.0008 4.68243 17.3763 TIMING: 2593400 CPU: 7815.19, 0.00301832/step Wall: 7815.19, 0.00301832/step, 2.01775 hours remaining, 211.074219 MB of memory in use. ENERGY: 2593400 764.6266 2030.4002 1957.3300 104.7875 -206361.7634 17932.3943 0.0000 0.0000 34021.3959 -149550.8289 297.1173 -183572.2248 -149453.9407 298.7477 -23.9139 9.8878 558652.3902 -8.3811 -8.2886 PRESSURE: 2593600 129.121 -116.792 -223.71 -116.792 -73.2368 -140.34 -223.711 -140.34 -41.3492 GPRESSURE: 2593600 141.466 -109.812 -265.096 -84.0318 -14.4229 -186.182 -100.385 -57.0298 -12.562 PRESSAVG: 2593600 -2.5938 -54.2021 22.3475 -54.2021 -65.9544 -3.52943 22.3475 -3.5295 33.8359 GPRESSAVG: 2593600 -1.65281 -55.3042 22.4099 -52.0213 -66.5818 -2.42992 21.3431 -6.52702 33.3364 TIMING: 2593600 CPU: 7815.8, 0.00301451/step Wall: 7815.8, 0.0030145/step, 2.01503 hours remaining, 211.164062 MB of memory in use. ENERGY: 2593600 718.9910 2091.5242 1959.3940 103.9920 -206358.1132 17985.4367 0.0000 0.0000 34072.3427 -149426.4326 297.5622 -183498.7753 -149327.0697 298.1762 4.8450 38.1605 558414.5395 -11.5708 -11.6327 PRESSURE: 2593800 72.8768 128.286 173.427 128.286 75.444 76.5004 173.429 76.5023 -17.5706 GPRESSURE: 2593800 63.0163 164.398 144.839 122.199 141.765 48.5968 132.391 53.233 22.1409 PRESSAVG: 2593800 -34.546 0.71361 53.1317 0.713561 14.012 3.3346 53.1316 3.33473 12.2543 GPRESSAVG: 2593800 -34.5815 1.20282 52.4666 -1.06313 13.9857 2.994 54.3978 4.65859 11.8878 TIMING: 2593800 CPU: 7816.4, 0.00303994/step Wall: 7816.4, 0.00303994/step, 2.03186 hours remaining, 211.308594 MB of memory in use. ENERGY: 2593800 771.9643 2181.2476 1935.1448 104.6169 -206467.2407 18034.8516 0.0000 0.0000 34222.9008 -149216.5147 298.8771 -183439.4155 -149123.8125 299.4239 43.5834 75.6409 556829.4884 -2.7599 -2.9027 PRESSURE: 2594000 55.2692 155.074 -0.204719 155.073 -25.8859 -92.9727 -0.20446 -92.9726 68.3446 GPRESSURE: 2594000 100.087 95.6038 -11.2719 155.359 27.3111 -36.0928 -40.7968 -131.714 66.9437 PRESSAVG: 2594000 -21.6563 44.038 -39.39 44.038 60.8968 -33.2791 -39.3899 -33.2792 -19.572 GPRESSAVG: 2594000 -22.3178 44.1222 -39.8648 43.6915 60.3242 -34.4739 -40.0979 -32.9607 -18.4192 TIMING: 2594000 CPU: 7817.01, 0.00305473/step Wall: 7817.01, 0.00305473/step, 2.04158 hours remaining, 211.308594 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: 2594000 739.5716 2118.7946 1928.0577 111.4547 -206464.7604 18019.6321 0.0000 0.0000 34194.2734 -149352.9763 298.6271 -183547.2497 -149254.2401 299.0121 32.5760 64.7807 557154.8196 6.5561 6.5290 PRESSURE: 2594200 -186.247 -42.7321 135.439 -42.7309 81.9708 -33.4989 135.44 -33.4979 122.509 GPRESSURE: 2594200 -167.421 -15.5059 5.25053 -35.3491 122.679 43.7717 266.297 -86.1313 168.699 PRESSAVG: 2594200 -41.0399 -3.17113 21.0804 -3.17103 7.36653 15.4684 21.0804 15.4684 47.5844 GPRESSAVG: 2594200 -41.8789 -3.0043 22.2792 -1.60423 8.05011 16.7445 21.3059 13.7191 47.6379 TIMING: 2594200 CPU: 7817.62, 0.00303835/step Wall: 7817.62, 0.00303835/step, 2.03046 hours remaining, 211.308594 MB of memory in use. ENERGY: 2594200 711.3441 2083.7807 1926.0963 109.8005 -206479.0308 17957.5806 0.0000 0.0000 34297.9635 -149392.4651 299.5326 -183690.4286 -149297.5000 299.0773 6.0774 41.3188 558070.4285 4.6370 4.6030 PRESSURE: 2594400 -122.242 -94.1636 38.5321 -94.164 155.632 -26.5107 38.5318 -26.5117 -54.9904 GPRESSURE: 2594400 -90.6451 -88.9257 75.4447 -87.6661 138.746 -18.9956 10.2351 -114.163 21.2667 PRESSAVG: 2594400 -34.6652 -34.6449 6.02204 -34.645 0.671435 17.9031 6.02208 17.9032 37.0838 GPRESSAVG: 2594400 -33.5104 -35.2896 5.89541 -35.0045 0.408418 18.4824 4.56489 18.925 35.8546 TIMING: 2594400 CPU: 7818.23, 0.00303104/step Wall: 7818.23, 0.00303104/step, 2.02541 hours remaining, 211.308594 MB of memory in use. ENERGY: 2594400 753.7321 2086.2766 1947.0684 120.3323 -206464.9855 17781.1269 0.0000 0.0000 34292.1610 -149484.2882 299.4820 -183776.4492 -149390.5391 298.7207 -7.2002 23.1227 556714.5041 1.0300 0.9175 PRESSURE: 2594600 5.72993 -108.302 36.1725 -108.302 184.133 163.051 36.173 163.052 65.3142 GPRESSURE: 2594600 42.0758 -90.5029 61.2937 -38.7334 269.611 219.462 11.4802 101.881 37.2344 PRESSAVG: 2594600 -8.35195 -23.8233 20.5886 -23.8233 29.4195 -0.0836906 20.5886 -0.083617 -4.56998 GPRESSAVG: 2594600 -8.70675 -21.2695 21.9804 -22.5478 28.9637 -1.65483 20.7525 -0.93773 -3.61151 TIMING: 2594600 CPU: 7818.83, 0.00299271/step Wall: 7818.83, 0.00299271/step, 1.99963 hours remaining, 211.308594 MB of memory in use. ENERGY: 2594600 747.4307 2114.6225 1933.0137 121.4246 -206884.6483 17999.5517 0.0000 0.0000 34077.4948 -149891.1104 297.6072 -183968.6051 -149796.1116 298.0450 85.0590 116.3072 556151.1000 5.4992 5.5485 PRESSURE: 2594800 -90.3613 119.052 -212.588 119.052 -284.495 -122.599 -212.587 -122.599 -123.099 GPRESSURE: 2594800 -70.7099 163.937 -191.825 119.758 -236.581 -28.9926 -186.491 -119.929 -93.9119 PRESSAVG: 2594800 13.1491 38.347 9.86934 38.3471 -36.9616 -41.86 9.86941 -41.86 20.1644 GPRESSAVG: 2594800 13.7851 37.6702 7.67024 36.6616 -36.3061 -40.0962 11.4228 -41.97 18.4461 TIMING: 2594800 CPU: 7819.43, 0.00300099/step Wall: 7819.43, 0.00300099/step, 2.00499 hours remaining, 211.308594 MB of memory in use. ENERGY: 2594800 756.8222 2047.1429 1940.1883 107.8281 -206556.2231 17780.0448 0.0000 0.0000 34027.6934 -149896.5035 297.1723 -183924.1969 -149792.8449 297.2620 -165.9854 -133.7344 557450.3127 -1.2160 -1.3583 PRESSURE: 2595000 -85.7862 -79.4123 43.8756 -79.4122 33.0083 33.3054 43.8766 33.3052 41.6501 GPRESSURE: 2595000 -86.3063 -59.2508 44.3805 -124.325 89.1234 43.8026 47.6305 23.3512 76.5666 PRESSAVG: 2595000 50.6941 22.8919 41.8787 22.8919 43.1955 10.1785 41.8788 10.1785 -58.4607 GPRESSAVG: 2595000 48.7665 22.3023 42.483 24.5281 43.2239 8.37122 42.9342 14.0661 -56.5856 TIMING: 2595000 CPU: 7820.03, 0.00299427/step Wall: 7820.03, 0.00299427/step, 2.00034 hours remaining, 211.308594 MB of memory in use. ENERGY: 2595000 746.2779 2103.2257 1987.1248 110.8189 -206534.3571 17783.6221 0.0000 0.0000 34107.0484 -149696.2392 297.8653 -183803.2876 -149605.5728 297.7512 -3.7093 26.4612 556192.7414 11.8096 11.8016 PRESSURE: 2595200 10.5537 50.8051 -14.2515 50.8049 -61.6917 -113.49 -14.2517 -113.489 -354.599 GPRESSURE: 2595200 -38.2272 62.2444 -25.6178 33.284 0.85001 -104.166 -51.0484 -143.506 -268.498 PRESSAVG: 2595200 4.31311 31.8241 15.971 31.8243 27.5706 -27.1391 15.971 -27.139 -29.4308 GPRESSAVG: 2595200 4.19565 28.2578 17.2478 32.7595 27.6411 -25.624 13.5742 -30.6561 -28.9482 TIMING: 2595200 CPU: 7820.63, 0.00301006/step Wall: 7820.63, 0.00301006/step, 2.01072 hours remaining, 211.308594 MB of memory in use. ENERGY: 2595200 745.4158 2107.0990 1930.7073 119.3487 -206567.7750 17672.2437 0.0000 0.0000 34159.3797 -149833.5808 298.3224 -183992.9606 -149737.1411 297.4425 -135.2456 -101.9582 556869.0357 0.8176 0.9629 PRESSURE: 2595400 -138.395 56.5586 66.0736 56.5579 -152.432 56.0051 66.0738 56.0038 -211.907 GPRESSURE: 2595400 -97.4438 16.6951 -20.8906 136.2 -137.587 147.595 143.003 -1.36781 -177.348 PRESSAVG: 2595400 58.9045 20.269 33.0206 20.2691 -80.7321 47.3744 33.0206 47.3744 6.07197 GPRESSAVG: 2595400 59.6663 24.9442 32.1236 17.525 -79.863 45.5566 34.2452 48.292 4.46073 TIMING: 2595400 CPU: 7821.22, 0.0029726/step Wall: 7821.22, 0.0029726/step, 1.98553 hours remaining, 211.308594 MB of memory in use. ENERGY: 2595400 764.8136 2091.2217 1936.7062 120.8856 -206637.9881 17728.2429 0.0000 0.0000 34189.3028 -149806.8154 298.5837 -183996.1182 -149715.4940 298.0225 -167.5780 -137.4594 556285.8969 -5.2519 -5.2453 PRESSURE: 2595600 151.679 -7.91479 57.8016 -7.91516 -220.475 148.034 57.8015 148.034 44.8832 GPRESSURE: 2595600 193.823 19.6675 127.523 -95.4198 -225.26 148.648 -2.97529 199.914 101.05 PRESSAVG: 2595600 24.6065 18.0094 86.4592 18.0094 -4.74917 3.93506 86.4592 3.93509 18.0656 GPRESSAVG: 2595600 25.5753 17.3798 84.8205 18.593 -6.37111 4.90833 87.2443 3.46366 19.0699 TIMING: 2595600 CPU: 7821.82, 0.00298169/step Wall: 7821.82, 0.00298169/step, 1.99144 hours remaining, 211.308594 MB of memory in use. ENERGY: 2595600 756.2711 2004.2589 1944.1570 113.5253 -206763.8623 17945.8200 0.0000 0.0000 34260.8414 -149738.9887 299.2084 -183999.8300 -149640.1337 298.3148 -7.9707 23.2045 557293.8378 12.6410 12.7580 PRESSURE: 2595800 80.6304 -0.396608 74.1829 -0.397305 -263.121 -86.9224 74.1821 -86.9234 -24.4147 GPRESSURE: 2595800 53.1257 14.6305 -8.90739 -68.5408 -139.155 -13.4645 52.8588 -90.4632 -31.7526 PRESSAVG: 2595800 53.9141 -44.5091 21.4695 -44.509 28.0873 -15.6047 21.4695 -15.6047 -92.4347 GPRESSAVG: 2595800 53.0058 -45.1697 22.0424 -44.3373 29.2298 -14.753 22.612 -15.7291 -91.9089 TIMING: 2595800 CPU: 7822.41, 0.00296985/step Wall: 7822.41, 0.00296985/step, 1.98336 hours remaining, 211.308594 MB of memory in use. ENERGY: 2595800 772.1668 2122.5717 1932.5811 118.7052 -206557.4764 17791.7400 0.0000 0.0000 34133.0386 -149686.6731 298.0923 -183819.7116 -149593.6832 298.6362 -68.9684 -39.2605 556106.2156 -3.4778 -3.2244 PRESSURE: 2596000 -145.428 -3.09299 -102.953 -3.09288 79.859 4.69972 -102.952 4.69997 -276.009 GPRESSURE: 2596000 -124.26 -50.8567 -139.338 48.6818 97.3271 -61.3478 -44.6063 72.7643 -215.44 PRESSAVG: 2596000 35.9929 -47.7958 -14.3945 -47.796 26.9254 -25.2778 -14.3945 -25.2777 -48.4156 GPRESSAVG: 2596000 36.289 -47.9083 -15.1152 -50.5389 25.1523 -28.0061 -15.9174 -25.7324 -47.1767 TIMING: 2596000 CPU: 7823, 0.00295856/step Wall: 7823, 0.00295856/step, 1.97566 hours remaining, 211.308594 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: 2596000 762.3992 2099.2171 1931.1748 103.1719 -206586.8534 17754.4534 0.0000 0.0000 34210.7925 -149725.6445 298.7714 -183936.4370 -149631.2417 298.7902 -113.8592 -80.7908 555559.7363 4.8342 4.7549 PRESSURE: 2596200 -75.5984 -43.0057 126.204 -43.0055 -152.666 -55.625 126.205 -55.6264 97.4539 GPRESSURE: 2596200 -51.3844 14.5989 200.999 -154.074 -83.9245 -6.26221 26.7486 -79.2838 90.6487 PRESSAVG: 2596200 48.9199 -11.2757 0.0977255 -11.2757 9.6866 -90.7866 0.0977469 -90.7866 -69.033 GPRESSAVG: 2596200 49.2065 -12.6203 1.75977 -9.08928 10.2143 -90.5383 0.061204 -89.0546 -69.794 TIMING: 2596200 CPU: 7823.6, 0.00296126/step Wall: 7823.6, 0.00296126/step, 1.9773 hours remaining, 211.308594 MB of memory in use. ENERGY: 2596200 748.4585 2049.1221 1927.2315 115.4087 -206292.7213 17563.7536 0.0000 0.0000 34238.6465 -149650.1003 299.0146 -183888.7469 -149556.5432 298.1502 -43.6036 -14.8867 555886.5844 -3.4755 -3.4577 LDB: ============= START OF LOAD BALANCING ============== 7827.11 LDB: ============== END OF LOAD BALANCING =============== 7827.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7827.11 LDB: ============= START OF LOAD BALANCING ============== 7827.41 LDB: Largest compute 4794 load 0.024322 is 20.6% of average load 0.118024 LDB: Average compute 0.001732 is 1.5% of average load 0.118024 LDB: TIME 7827.41 LOAD: AVG 0.118024 MAX 0.206802 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.914 MB LDB: TIME 7827.41 LOAD: AVG 0.118024 MAX 0.206802 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.117 MB LDB: TIME 7827.41 LOAD: AVG 0.118024 MAX 0.206802 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.117 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7827.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7827.42 PRESSURE: 2596400 -13.7521 -83.8247 225.343 -83.8243 125.691 -123.748 225.343 -123.749 -97.8284 GPRESSURE: 2596400 41.2026 -116.172 229.55 -114.806 64.1308 -67.8333 244.796 -59.4941 11.8836 PRESSAVG: 2596400 -50.8116 -57.8315 55.4306 -57.8315 15.1339 -8.55275 55.4305 -8.55271 36.3103 GPRESSAVG: 2596400 -50.3722 -55.0489 56.3898 -59.3028 15.4816 -8.17568 54.5902 -8.40526 35.8576 TIMING: 2596400 CPU: 7824.2, 0.00303759/step Wall: 7824.2, 0.00303759/step, 2.0281 hours remaining, 209.375000 MB of memory in use. ENERGY: 2596400 743.1959 2033.2880 1954.8688 108.3196 -206529.0897 17780.3549 0.0000 0.0000 34236.2452 -149672.8175 298.9936 -183909.0626 -149573.2971 298.4528 4.7037 39.0723 554797.5890 0.2109 0.3223 PRESSURE: 2596600 -171.089 74.204 -42.4269 74.2049 -132.135 -148.191 -42.4283 -148.189 -187.649 GPRESSURE: 2596600 -126.376 34.2615 -116.233 31.9139 -109.263 -77.0579 -5.21056 -214.474 -164.056 PRESSAVG: 2596600 27.2805 -30.2083 35.8679 -30.2082 -14.5057 -22.5563 35.8678 -22.5562 -17.582 GPRESSAVG: 2596600 27.3943 -30.9177 36.0886 -30.3859 -15.4627 -23.3625 35.2431 -20.9204 -16.6428 TIMING: 2596600 CPU: 7824.8, 0.00297784/step Wall: 7824.8, 0.00297784/step, 1.98804 hours remaining, 209.578125 MB of memory in use. ENERGY: 2596600 718.8544 2104.1191 1965.4857 126.2696 -206540.7951 17662.3073 0.0000 0.0000 33998.0615 -149965.6975 296.9135 -183963.7589 -149866.4335 297.0842 -163.6244 -133.2315 557231.8901 -1.6024 -1.5704 PRESSURE: 2596800 -157.299 127.25 -177.021 127.25 442.832 35.0763 -177.02 35.0768 -23.1659 GPRESSURE: 2596800 -74.774 -65.173 -217.189 266.887 427.074 23.1572 -97.1744 20.763 8.30266 PRESSAVG: 2596800 -56.5904 27.0466 -28.3487 27.0466 8.01746 -62.4351 -28.3487 -62.4352 54.9399 GPRESSAVG: 2596800 -56.9329 26.1721 -30.1768 27.7947 8.49617 -62.487 -26.9076 -64.146 55.0264 TIMING: 2596800 CPU: 7825.4, 0.00298025/step Wall: 7825.4, 0.00298025/step, 1.98948 hours remaining, 209.578125 MB of memory in use. ENERGY: 2596800 777.6810 2109.3538 1946.9730 115.8104 -206643.0371 17898.0787 0.0000 0.0000 33939.8319 -149855.3085 296.4050 -183795.1404 -149763.0513 296.8773 87.4555 120.2010 557028.4298 2.1223 2.1966 PRESSURE: 2597000 -165.451 -6.59 -115.343 -6.58986 -265.634 -205.895 -115.342 -205.895 -206.781 GPRESSURE: 2597000 -111.866 -53.686 -43.7253 22.5575 -231.682 -152.506 -149.67 -136.016 -182.439 PRESSAVG: 2597000 -68.9074 2.58249 -11.4311 2.58246 15.8925 87.6095 -11.431 87.6096 39.0694 GPRESSAVG: 2597000 -69.6098 1.62318 -11.1315 1.9257 16.7039 87.9106 -9.60947 86.529 38.3783 TIMING: 2597000 CPU: 7825.99, 0.00297142/step Wall: 7825.99, 0.00297142/step, 1.98342 hours remaining, 209.578125 MB of memory in use. ENERGY: 2597000 736.0681 2091.2476 1931.3090 103.5289 -206031.5152 17449.7401 0.0000 0.0000 33957.5439 -149762.0777 296.5597 -183719.6216 -149667.2779 297.6831 -212.6221 -175.3289 556752.9025 -4.6485 -4.8425 PRESSURE: 2597200 171.756 -2.69407 71.8886 -2.69437 -269.419 -203.913 71.8884 -203.912 -262.426 GPRESSURE: 2597200 220.53 -21.8423 -67.4609 17.171 -233.3 -141.061 205.197 -206.952 -251.699 PRESSAVG: 2597200 0.351692 7.94005 8.15937 7.93997 -62.7105 -64.4648 8.15931 -64.4648 74.2578 GPRESSAVG: 2597200 -0.100124 9.4097 9.61971 9.95482 -62.8517 -62.6633 5.96427 -62.7571 73.9944 TIMING: 2597200 CPU: 7826.58, 0.00297157/step Wall: 7826.58, 0.00297157/step, 1.98336 hours remaining, 209.578125 MB of memory in use. ENERGY: 2597200 728.2403 2096.8323 1928.7072 117.0436 -206261.4084 17619.6514 0.0000 0.0000 34250.0185 -149520.9152 299.1139 -183770.9337 -149429.3609 298.1747 -120.0296 -88.1561 556703.6220 3.9664 3.6809 PRESSURE: 2597400 -142.436 54.4594 -242.604 54.4598 46.8526 -8.86711 -242.603 -8.86907 -167.195 GPRESSURE: 2597400 -91.8273 69.5458 -192.587 125.412 23.2517 -35.0963 -194.679 -5.85147 -100.727 PRESSAVG: 2597400 75.9905 10.6572 45.3702 10.6572 -21.1438 -31.3975 45.3703 -31.3974 -51.3259 GPRESSAVG: 2597400 77.0576 9.13785 44.6164 10.8896 -22.6874 -32.3863 45.2548 -33.7728 -50.6368 TIMING: 2597400 CPU: 7827.19, 0.00301608/step Wall: 7827.19, 0.00301608/step, 2.0129 hours remaining, 209.578125 MB of memory in use. ENERGY: 2597400 731.5969 2129.4342 1960.8814 133.3051 -206177.1731 17663.4755 0.0000 0.0000 33963.1847 -149595.2953 296.6089 -183558.4800 -149499.0335 298.5219 -87.5929 -56.4341 558141.9261 1.1736 1.2445 PRESSURE: 2597600 114.077 35.2785 -146.908 35.2795 -91.9905 -155.959 -146.909 -155.959 90.4414 GPRESSURE: 2597600 96.3956 -14.9521 -186.532 53.7198 -13.2082 -127.27 -60.6147 -132.01 127.489 PRESSAVG: 2597600 -1.40361 3.75479 -7.54065 3.75474 -98.4686 -23.2264 -7.54069 -23.2264 16.3933 GPRESSAVG: 2597600 -1.56893 3.63112 -7.28802 4.79168 -97.9181 -23.2893 -8.28578 -22.6795 15.7137 TIMING: 2597600 CPU: 7827.78, 0.00298024/step Wall: 7827.78, 0.00298024/step, 1.98881 hours remaining, 209.578125 MB of memory in use. ENERGY: 2597600 761.5370 2169.4113 1925.7152 100.0306 -206479.1050 17790.4885 0.0000 0.0000 34149.7520 -149582.1703 298.2383 -183731.9224 -149487.0386 298.0281 37.5094 70.2254 556277.1526 -27.8263 -27.9244 PRESSURE: 2597800 146.052 14.5983 53.5105 14.5984 -138.575 -89.0481 53.5105 -89.0491 262.555 GPRESSURE: 2597800 221.377 47.0503 -1.47487 2.3277 -132.322 -34.6322 49.4319 -69.4688 274.566 PRESSAVG: 2597800 13.1734 41.0942 -13.3909 41.0942 -12.7382 0.37605 -13.3908 0.376097 -48.0497 GPRESSAVG: 2597800 13.0345 41.0502 -13.7162 40.4928 -12.9482 1.68757 -12.3427 0.771083 -47.5273 TIMING: 2597800 CPU: 7828.38, 0.00296006/step Wall: 7828.38, 0.00296006/step, 1.97518 hours remaining, 209.578125 MB of memory in use. ENERGY: 2597800 771.0408 2094.2220 1944.9465 116.0845 -206893.3816 18153.6533 0.0000 0.0000 34201.5862 -149611.8483 298.6910 -183813.4346 -149516.0741 297.9356 90.0106 121.2073 556395.8890 -15.8715 -15.8136 PRESSURE: 2598000 142.903 87.5182 87.6575 87.5193 185.895 -33.2357 87.6591 -33.2347 -140.382 GPRESSURE: 2598000 171.252 -13.5916 71.8781 110.401 213.404 -70.7446 100.725 14.1008 -96.3656 PRESSAVG: 2598000 47.7653 -0.585038 -42.052 -0.584966 15.5098 -7.99985 -42.052 -7.99975 -37.1218 GPRESSAVG: 2598000 47.5231 -2.2096 -39.8072 -0.0514406 16.1676 -9.94101 -44.201 -8.29417 -38.1812 TIMING: 2598000 CPU: 7828.97, 0.00295829/step Wall: 7828.97, 0.00295829/step, 1.97384 hours remaining, 209.578125 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: 2598000 732.6222 2092.3511 1949.9541 118.7116 -206672.8887 17921.0363 0.0000 0.0000 34354.9468 -149503.2666 300.0303 -183858.2134 -149405.7240 298.0451 62.8054 96.0968 555978.4006 8.7178 8.5032 PRESSURE: 2598200 90.5493 153.832 -69.6394 153.832 -35.4609 -143.542 -69.6412 -143.543 -35.1836 GPRESSURE: 2598200 81.2486 174.368 -90.9013 124.295 -28.8986 -122.151 -50.805 -165.106 62.1444 PRESSAVG: 2598200 39.1711 26.4639 -54.2191 26.4639 -18.7732 -66.185 -54.2191 -66.1848 -64.3219 GPRESSAVG: 2598200 40.2792 28.2061 -55.6257 25.8967 -19.4864 -64.0415 -52.303 -66.8728 -64.4443 TIMING: 2598200 CPU: 7829.57, 0.00300637/step Wall: 7829.57, 0.00300637/step, 2.00575 hours remaining, 209.578125 MB of memory in use. ENERGY: 2598200 746.0369 2079.3591 1936.5799 118.2545 -206459.1209 17805.0469 0.0000 0.0000 34432.0728 -149341.7709 300.7039 -183773.8437 -149257.0513 299.0628 6.6349 38.1648 557987.4993 -14.6413 -14.5505 PRESSURE: 2598400 164.49 -127.956 189.936 -127.956 -47.9914 10.9951 189.936 10.9956 83.0311 GPRESSURE: 2598400 181.116 -96.391 216.307 -158.365 20.751 -19.9459 189.556 17.1462 99.934 PRESSAVG: 2598400 28.6641 20.9082 35.2345 20.9081 32.4951 3.19669 35.2346 3.19663 -60.5976 GPRESSAVG: 2598400 26.8619 21.1798 35.119 19.0978 32.7074 0.865461 34.9833 3.86805 -59.0872 TIMING: 2598400 CPU: 7830.16, 0.00297866/step Wall: 7830.16, 0.00297866/step, 1.98709 hours remaining, 209.578125 MB of memory in use. ENERGY: 2598400 736.8451 2082.6945 1946.8283 119.3048 -206246.5021 17877.8244 0.0000 0.0000 34114.0335 -149368.9713 297.9263 -183483.0049 -149273.8624 299.6055 66.5100 100.6003 557191.2647 0.1872 0.1607 PRESSURE: 2598600 57.1854 -34.4318 114.263 -34.4314 -37.9225 57.7147 114.263 57.714 -29.0969 GPRESSURE: 2598600 97.3018 53.7684 127.713 -33.5078 -44.5434 94.4947 154.687 56.0929 42.773 PRESSAVG: 2598600 -18.8879 37.9031 61.2753 37.9031 16.7631 -38.0924 61.2752 -38.0924 -21.2008 GPRESSAVG: 2598600 -18.9281 37.6183 62.5578 35.7308 17.0788 -40.4893 61.2248 -37.2866 -21.6645 TIMING: 2598600 CPU: 7830.76, 0.00297278/step Wall: 7830.76, 0.00297278/step, 1.98301 hours remaining, 209.781250 MB of memory in use. ENERGY: 2598600 768.8351 2060.8204 1955.3392 105.6442 -206186.2353 17719.4208 0.0000 0.0000 34303.0859 -149273.0898 299.5774 -183576.1757 -149181.2939 299.1126 -3.2780 31.8438 556712.9810 -7.7752 -7.8379 PRESSURE: 2598800 -27.2563 48.2677 -3.6412 48.2682 -34.0467 89.8244 -3.64222 89.8247 -84.5867 GPRESSURE: 2598800 -21.4997 105.131 -32.4234 23.61 45.4438 163.131 69.9315 119.478 -56.5096 PRESSAVG: 2598800 24.1841 24.6623 33.6615 24.6624 -14.6941 -25.0297 33.6615 -25.0298 0.869065 GPRESSAVG: 2598800 23.5258 25.4766 31.3694 27.0835 -14.153 -19.6111 35.6585 -28.4413 1.00944 TIMING: 2598800 CPU: 7831.36, 0.00299228/step Wall: 7831.36, 0.00299228/step, 1.99585 hours remaining, 209.781250 MB of memory in use. ENERGY: 2598800 787.5389 2094.0329 1935.9924 127.8601 -206110.0792 17567.6330 0.0000 0.0000 34404.8462 -149192.1758 300.4661 -183597.0219 -149096.9389 299.6690 -48.6299 -10.8552 556357.4363 3.4530 3.4607 PRESSURE: 2599000 253.111 37.4004 50.7129 37.3999 165.569 13.9341 50.7124 13.9342 69.5111 GPRESSURE: 2599000 290.43 47.664 42.2617 32.1031 141.769 70.7222 131.441 49.6256 146.502 PRESSAVG: 2599000 41.4055 35.6279 -7.32517 35.6279 -29.2436 -27.5712 -7.32512 -27.5712 -35.8625 GPRESSAVG: 2599000 42.3253 35.7488 -5.14867 35.0503 -29.855 -30.4234 -7.93606 -25.1251 -35.9791 TIMING: 2599000 CPU: 7831.95, 0.00297537/step Wall: 7831.95, 0.00297537/step, 1.98441 hours remaining, 209.781250 MB of memory in use. ENERGY: 2599000 729.9555 2107.4989 1940.2714 113.9559 -206285.7086 17995.6109 0.0000 0.0000 34176.4478 -149221.9682 298.4714 -183398.4159 -149131.7494 298.7801 162.7305 192.9005 556680.1347 -7.9002 -7.8363 PRESSURE: 2599200 43.5621 -81.1714 51.6951 -81.1716 -114.065 -176.271 51.6963 -176.271 150.051 GPRESSURE: 2599200 88.8573 -69.3111 6.04315 -97.8968 -22.5152 -229.649 66.9011 -107.547 102.629 PRESSAVG: 2599200 25.6692 4.9927 -16.0006 4.99273 -24.5712 -35.2862 -16.0005 -35.2863 27.5767 GPRESSAVG: 2599200 25.6379 3.79468 -16.3288 6.60616 -23.4235 -36.1675 -17.5767 -33.7056 26.4321 TIMING: 2599200 CPU: 7832.55, 0.00299644/step Wall: 7832.55, 0.00299643/step, 1.99829 hours remaining, 209.781250 MB of memory in use. ENERGY: 2599200 702.4153 2108.8592 1953.1274 113.8255 -206244.2820 17908.2237 0.0000 0.0000 34344.9009 -149112.9300 299.9426 -183457.8308 -149022.0613 299.6708 26.5159 56.3236 557348.9872 9.5582 9.5488 PRESSURE: 2599400 -9.41685 100.008 98.4349 100.007 -281.546 -12.3542 98.4339 -12.3527 -156.418 GPRESSURE: 2599400 27.0365 81.8857 98.6207 37.5026 -211.974 -23.8423 65.3469 -40.9023 -156.784 PRESSAVG: 2599400 13.7231 29.3378 73.0774 29.3378 -15.1298 -26.248 73.0775 -26.2478 -27.6324 GPRESSAVG: 2599400 14.8586 26.6084 71.9304 29.5014 -15.6728 -23.604 76.1549 -27.9877 -27.2446 TIMING: 2599400 CPU: 7833.15, 0.00297495/step Wall: 7833.15, 0.00297495/step, 1.98379 hours remaining, 209.781250 MB of memory in use. ENERGY: 2599400 774.0343 2077.4810 1924.6658 118.6786 -205864.4131 17639.1543 0.0000 0.0000 34276.5646 -149053.8345 299.3458 -183330.3991 -148953.7867 299.7382 -149.1268 -113.9072 558725.8612 -9.6797 -9.3529 PRESSURE: 2599600 -97.502 38.4864 32.1942 38.4857 115.04 92.9771 32.1936 92.9799 -85.0508 GPRESSURE: 2599600 -47.9312 74.7477 -23.0042 23.5401 153.048 93.2002 81.7076 88.9577 -59.7632 PRESSAVG: 2599600 -42.049 41.6935 -10.251 41.6936 9.98643 17.1358 -10.251 17.1359 -1.91994 GPRESSAVG: 2599600 -41.8967 43.5353 -11.3908 40.4855 9.47309 17.921 -11.6209 16.7485 -1.48238 TIMING: 2599600 CPU: 7833.74, 0.00298802/step Wall: 7833.74, 0.00298802/step, 1.99235 hours remaining, 209.781250 MB of memory in use. ENERGY: 2599600 778.7246 2067.2122 1917.9002 113.1872 -206122.7276 17886.6054 0.0000 0.0000 34411.7200 -148947.3780 300.5261 -183359.0980 -148852.2046 300.3177 -22.5043 15.1179 556209.1585 -11.3275 -11.3020 PRESSURE: 2599800 57.0117 201.585 -9.63034 201.585 -83.642 26.5295 -9.63068 26.5308 -22.4523 GPRESSURE: 2599800 58.8106 174.96 -21.9253 220.696 -46.5051 19.0174 -64.6114 114.485 35.6198 PRESSAVG: 2599800 19.425 14.2889 45.2615 14.2889 39.1941 84.1159 45.2616 84.1159 -13.7424 GPRESSAVG: 2599800 19.2678 16.0715 46.6061 13.2554 38.5361 83.2215 44.8622 85.5825 -13.2782 TIMING: 2599800 CPU: 7834.34, 0.00298708/step Wall: 7834.34, 0.00298708/step, 1.99155 hours remaining, 209.781250 MB of memory in use. ENERGY: 2599800 686.6226 2117.4673 1963.4904 107.7134 -205938.0394 17571.6157 0.0000 0.0000 34535.2796 -148955.8503 301.6052 -183491.1299 -148856.9399 299.9161 -16.3609 15.9751 557128.4272 14.9589 14.8419 PRESSURE: 2600000 141.546 175.837 45.4782 175.838 -223.826 47.578 45.4777 47.5774 7.55444 GPRESSURE: 2600000 172.908 112.927 29.8376 160.291 -187.973 110.108 51.4907 -4.80924 41.6575 PRESSAVG: 2600000 88.1138 -5.23222 3.59596 -5.23229 -61.6931 29.8793 3.59597 29.8793 -46.1282 GPRESSAVG: 2600000 88.3421 -5.95107 2.82917 -5.76004 -61.8635 29.5307 4.39617 28.6439 -46.5235 TIMING: 2600000 CPU: 7834.94, 0.00298545/step Wall: 7834.94, 0.00298545/step, 1.9903 hours remaining, 209.781250 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: 2600000 743.8668 2133.5023 1943.5292 98.0272 -205926.4280 17693.9176 0.0000 0.0000 34401.3978 -148912.1871 300.4360 -183313.5849 -148816.9429 300.2979 -24.9086 8.8644 557310.0732 -6.5692 -6.6816 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2600000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 2600000 WRITING COORDINATES TO RESTART FILE AT STEP 2600000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2600200 79.5509 -162.106 -22.4274 -162.105 -96.2867 44.2192 -22.4282 44.2167 -96.753 GPRESSURE: 2600200 111.759 -150.341 21.2246 -173.228 -42.0784 24.7347 -27.8891 -32.3742 -87.8595 PRESSAVG: 2600200 7.59417 2.30676 -42.7948 2.30676 1.02536 34.7196 -42.7948 34.7197 -6.61247 GPRESSAVG: 2600200 6.12863 1.38283 -42.7529 4.38965 2.25313 33.5486 -43.1039 36.2869 -5.83883 TIMING: 2600200 CPU: 7835.55, 0.00304984/step Wall: 7835.55, 0.00304984/step, 2.03305 hours remaining, 209.906250 MB of memory in use. ENERGY: 2600200 711.3055 2091.4178 1929.9058 105.8303 -205727.8238 17522.4403 0.0000 0.0000 34405.4888 -148961.4352 300.4717 -183366.9240 -148864.1196 299.8568 -37.8296 -6.0596 557459.4990 0.6690 0.8476 LDB: ============= START OF LOAD BALANCING ============== 7839.06 LDB: ============== END OF LOAD BALANCING =============== 7839.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7839.06 LDB: ============= START OF LOAD BALANCING ============== 7839.36 LDB: Largest compute 4794 load 0.024492 is 20.7% of average load 0.118128 LDB: Average compute 0.001726 is 1.5% of average load 0.118128 LDB: TIME 7839.36 LOAD: AVG 0.118128 MAX 0.209007 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.488 MB LDB: TIME 7839.36 LOAD: AVG 0.118128 MAX 0.209007 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.488 MB LDB: TIME 7839.36 LOAD: AVG 0.118128 MAX 0.209007 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.488 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7839.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7839.37 PRESSURE: 2600400 102.821 68.4473 -83.9097 68.4478 115.26 120.15 -83.9091 120.148 -31.2869 GPRESSURE: 2600400 105.801 -38.3401 -72.972 139.541 123.099 159.887 -54.4387 147.521 50.481 PRESSAVG: 2600400 11.8804 13.0612 -22.6313 13.0611 -3.04016 -41.8723 -22.6313 -41.8725 -18.0731 GPRESSAVG: 2600400 13.1066 13.7244 -21.3903 12.6847 -2.97235 -40.4099 -23.589 -45.5156 -19.3826 TIMING: 2600400 CPU: 7836.15, 0.00302344/step Wall: 7836.15, 0.00302344/step, 2.01529 hours remaining, 209.769531 MB of memory in use. ENERGY: 2600400 712.9149 2101.4888 1944.7004 105.8266 -206404.4475 17988.6053 0.0000 0.0000 34532.0881 -149018.8233 301.5773 -183550.9115 -148923.9581 300.3717 62.2649 93.1270 556981.2816 -3.0776 -3.0828 PRESSURE: 2600600 -159.772 43.7799 -295.45 43.7783 136.124 -25.608 -295.451 -25.6065 -141.888 GPRESSURE: 2600600 -173.56 18.1873 -303.983 13.6476 225.602 -25.0202 -285.506 -55.4966 -123.819 PRESSAVG: 2600600 -39.9255 -4.9603 23.1931 -4.96037 43.6851 38.2038 23.1931 38.2038 17.2641 GPRESSAVG: 2600600 -40.4155 -5.97921 22.4036 -3.03771 44.5403 37.3679 24.4547 41.2049 16.505 TIMING: 2600600 CPU: 7836.75, 0.00300049/step Wall: 7836.75, 0.00300049/step, 1.99983 hours remaining, 209.781250 MB of memory in use. ENERGY: 2600600 765.9816 2078.0587 1926.6685 116.2340 -205774.5874 17450.0903 0.0000 0.0000 34198.7380 -149238.8163 298.6661 -183437.5543 -149142.3471 299.5919 -55.1788 -23.9256 555837.2161 7.0079 6.8766 PRESSURE: 2600800 330.792 -41.4208 63.9824 -41.4203 -9.8651 -195.163 63.9821 -195.164 53.8627 GPRESSURE: 2600800 318.887 -40.4147 64.7114 -92.4493 85.8426 -181.965 83.4341 -266.073 63.8677 PRESSAVG: 2600800 -3.60084 -0.0258186 -22.2445 -0.0258122 71.0398 6.95099 -22.2445 6.95079 16.4836 GPRESSAVG: 2600800 -3.58211 0.129135 -20.8446 -1.8957 69.6393 8.15523 -23.6435 6.11429 17.6661 TIMING: 2600800 CPU: 7837.36, 0.00302054/step Wall: 7837.36, 0.00302054/step, 2.01302 hours remaining, 209.781250 MB of memory in use. ENERGY: 2600800 754.9776 2101.3025 1929.4888 99.3105 -206269.3341 17911.1035 0.0000 0.0000 34251.3146 -149221.8367 299.1252 -183473.1513 -149123.1380 299.8856 124.9299 156.1989 556685.4776 27.9742 27.9077 PRESSURE: 2601000 50.4751 -35.603 94.5788 -35.6025 -74.356 -92.9852 94.5791 -92.9844 28.7841 GPRESSURE: 2601000 74.6508 32.578 142.151 -5.17242 -41.1832 -103.226 46.1643 -87.6034 67.12 PRESSAVG: 2601000 -5.22486 -0.504775 28.938 -0.504758 -37.1984 -7.73611 28.938 -7.73611 28.1486 GPRESSAVG: 2601000 -6.06134 2.97309 27.9508 -0.359163 -36.3098 -9.0491 30.2684 -7.73249 27.657 TIMING: 2601000 CPU: 7837.96, 0.00298784/step Wall: 7837.96, 0.00298784/step, 1.99106 hours remaining, 209.781250 MB of memory in use. ENERGY: 2601000 738.2525 2094.3689 1947.6525 108.7027 -206142.0144 17731.0177 0.0000 0.0000 34366.1906 -149155.8295 300.1285 -183522.0202 -149063.5264 299.0289 1.6344 33.5292 557358.5916 -4.7582 -4.9047 PRESSURE: 2601200 -315.302 47.4882 33.1305 47.4883 -170.331 -71.1217 33.1299 -71.1221 -230.36 GPRESSURE: 2601200 -232.227 34.3287 -5.35154 129.952 -203.861 -128.557 60.0619 -45.7255 -180.447 PRESSAVG: 2601200 8.37955 -0.053369 39.9574 -0.0533008 -63.289 -25.8435 39.9574 -25.8435 51.2349 GPRESSAVG: 2601200 9.19002 -3.51944 41.4132 0.542527 -64.29 -26.8535 38.5578 -25.3057 50.6515 TIMING: 2601200 CPU: 7838.56, 0.00303286/step Wall: 7838.56, 0.00303286/step, 2.0209 hours remaining, 209.781250 MB of memory in use. ENERGY: 2601200 779.3252 2103.5520 1949.7552 121.8462 -205865.7898 17552.2757 0.0000 0.0000 34337.4666 -149021.5690 299.8776 -183359.0355 -148934.4849 299.6751 -238.6643 -205.5116 559028.6035 -1.2249 -1.4828 PRESSURE: 2601400 77.7515 -48.7757 82.7282 -48.7752 -146.871 -64.886 82.7302 -64.8876 -57.7719 GPRESSURE: 2601400 91.7656 -50.5799 115.776 -66.7567 -44.3001 -116.007 26.3106 34.4292 -77.5182 PRESSAVG: 2601400 26.8046 13.4442 40.5989 13.4442 -25.0726 12.3938 40.5989 12.3938 4.46422 GPRESSAVG: 2601400 26.7333 12.5199 39.3944 14.9547 -24.7502 13.2601 41.1618 13.6325 4.6911 TIMING: 2601400 CPU: 7839.16, 0.00299096/step Wall: 7839.16, 0.00299096/step, 1.99281 hours remaining, 209.781250 MB of memory in use. ENERGY: 2601400 772.2494 2105.0948 1918.0826 106.7647 -205712.1992 17613.0233 0.0000 0.0000 34279.8977 -148917.0867 299.3749 -183196.9843 -148815.4885 299.9412 -42.2970 -10.0175 556766.6092 2.0654 2.2247 PRESSURE: 2601600 -79.9432 -197.436 50.2836 -197.437 216.478 -94.6866 50.2845 -94.6864 -87.582 GPRESSURE: 2601600 -69.0209 -119.77 40.1706 -193.192 256.258 -159.928 27.7449 -147.821 -56.1199 PRESSAVG: 2601600 -18.9174 19.2723 24.0828 19.2724 -41.4292 -21.4052 24.0828 -21.4053 93.1485 GPRESSAVG: 2601600 -19.6659 21.1874 22.6771 16.928 -40.4705 -20.9333 24.3585 -24.7651 92.619 TIMING: 2601600 CPU: 7839.76, 0.00299157/step Wall: 7839.76, 0.00299157/step, 1.99305 hours remaining, 209.781250 MB of memory in use. ENERGY: 2601600 763.7386 2098.6026 1916.7705 111.2641 -205748.6695 17608.3155 0.0000 0.0000 34211.7755 -149038.2028 298.7799 -183249.9782 -148947.4080 300.2029 16.3175 43.7059 557607.9056 10.9340 10.8275 PRESSURE: 2601800 -298.775 7.49487 140.88 7.49314 35.349 166.619 140.88 166.619 -84.2198 GPRESSURE: 2601800 -287.568 -54.6252 199.434 70.9905 28.0722 211.553 70.6703 158.199 22.4093 PRESSAVG: 2601800 -2.69318 -6.73136 14.7366 -6.73134 32.745 -9.7628 14.7366 -9.76277 1.81443 GPRESSAVG: 2601800 -1.56142 -7.26643 17.863 -7.29649 32.0544 -9.77542 13.5585 -9.27644 2.00067 TIMING: 2601800 CPU: 7840.36, 0.00298521/step Wall: 7840.36, 0.00298521/step, 1.98865 hours remaining, 209.781250 MB of memory in use. ENERGY: 2601800 759.4149 2095.6810 1951.9651 111.0387 -205983.0998 17516.0103 0.0000 0.0000 34499.2939 -149049.6958 301.2909 -183548.9897 -148955.1880 299.6859 -115.8820 -79.0290 556849.3668 10.6221 10.8312 PRESSURE: 2602000 -171.622 3.94988 -38.6389 3.94884 21.2469 92.5386 -38.6378 92.5394 232.825 GPRESSURE: 2602000 -107.543 -24.7819 20.7967 -97.7578 60.4578 -17.2098 -3.27382 84.5766 234.405 PRESSAVG: 2602000 1.19253 -11.5138 -3.32511 -11.5138 0.705055 0.361115 -3.32501 0.361155 3.04178 GPRESSAVG: 2602000 0.899315 -11.2507 -7.13969 -9.80751 0.900835 0.395405 -0.724684 -0.196118 3.71165 TIMING: 2602000 CPU: 7840.95, 0.00298361/step Wall: 7840.95, 0.00298361/step, 1.98742 hours remaining, 209.781250 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: 2602000 726.4105 2108.5910 1919.4296 108.3983 -206119.4542 17881.5383 0.0000 0.0000 34321.3606 -149053.7258 299.7370 -183375.0865 -148956.9358 300.1858 27.4833 62.4403 558543.9846 1.6465 1.8373 PRESSURE: 2602200 -233.459 41.0316 180.486 41.0305 114.368 -107.304 180.488 -107.305 -192.579 GPRESSURE: 2602200 -230.84 16.1906 151.521 -21.0286 119.739 -63.443 191.794 -102.753 -107.722 PRESSAVG: 2602200 15.7662 -28.6392 21.9575 -28.6392 -2.86661 -56.0177 21.9576 -56.0177 4.89138 GPRESSAVG: 2602200 15.1429 -29.8886 24.9294 -29.1635 -2.48716 -55.0362 20.3621 -54.0724 4.96617 TIMING: 2602200 CPU: 7841.55, 0.002975/step Wall: 7841.55, 0.002975/step, 1.98152 hours remaining, 209.781250 MB of memory in use. ENERGY: 2602200 725.5264 2137.8057 1923.2914 108.8273 -206067.7037 17738.1156 0.0000 0.0000 34253.9184 -149180.2189 299.1480 -183434.1373 -149080.1196 299.5961 -103.8901 -72.9413 558785.4849 5.9303 5.8740 PRESSURE: 2602400 -10.3237 17.9 -145.801 17.8996 11.2322 22.7384 -145.8 22.7387 -246.146 GPRESSURE: 2602400 72.5179 69.1286 -188.378 97.628 2.46158 -32.8359 -49.6623 18.0589 -223.951 PRESSAVG: 2602400 -17.1871 25.786 34.5819 25.7861 29.6991 -6.64119 34.5818 -6.64121 -18.4959 GPRESSAVG: 2602400 -14.8713 26.0535 32.3379 26.1183 28.654 -8.15857 37.894 -4.9257 -19.5315 TIMING: 2602400 CPU: 7842.15, 0.00299359/step Wall: 7842.15, 0.00299359/step, 1.99373 hours remaining, 209.781250 MB of memory in use. ENERGY: 2602400 753.7129 2077.2947 1951.8226 104.6557 -206000.2369 17691.7854 0.0000 0.0000 34195.5900 -149225.3757 298.6386 -183420.9657 -149132.6950 299.1936 -81.7460 -49.6570 558669.1746 -1.9947 -1.9162 PRESSURE: 2602600 -135.306 -185.721 -15.1198 -185.722 -212.301 -75.6315 -15.1205 -75.6314 60.0814 GPRESSURE: 2602600 -126.426 -161.345 -10.2136 -218.898 -131.615 -94.6819 -0.175253 -94.3675 65.3496 PRESSAVG: 2602600 9.81463 -35.8108 6.07321 -35.8108 -27.9138 24.7048 6.07329 24.7047 11.0055 GPRESSAVG: 2602600 7.35393 -34.9066 7.95739 -36.5736 -27.0852 23.7258 2.72318 24.319 12.0187 TIMING: 2602600 CPU: 7842.75, 0.00299508/step Wall: 7842.75, 0.00299508/step, 1.99456 hours remaining, 209.781250 MB of memory in use. ENERGY: 2602600 755.6675 2064.8740 1941.1393 122.5945 -205832.4683 17553.4218 0.0000 0.0000 34214.8317 -149179.9395 298.8066 -183394.7711 -149085.9977 299.4060 -95.8418 -64.2303 556479.1692 -2.3645 -2.5709 PRESSURE: 2602800 235.745 -62.0432 18.5052 -62.0433 319.243 -134.953 18.504 -134.952 -65.4834 GPRESSURE: 2602800 190.015 -77.5126 19.4226 -95.1677 435.227 -88.5513 4.69296 -100.049 -29.5384 PRESSAVG: 2602800 52.1385 20.8458 -0.692719 20.8458 -2.76487 9.94143 -0.692792 9.9416 -74.2709 GPRESSAVG: 2602800 53.2047 22.5375 -1.25693 19.839 -2.98571 10.2083 -2.03025 10.0997 -74.1373 TIMING: 2602800 CPU: 7843.34, 0.0029964/step Wall: 7843.34, 0.0029964/step, 1.99527 hours remaining, 209.781250 MB of memory in use. ENERGY: 2602800 764.6091 2083.5320 1929.5768 98.1079 -206282.7304 17998.3131 0.0000 0.0000 34343.3321 -149065.2594 299.9289 -183408.5915 -148977.0388 299.5705 163.1680 198.5678 557047.0590 -8.2991 -7.9728 PRESSURE: 2603000 -100.207 -8.37303 4.12799 -8.37231 -190.406 -111.509 4.12814 -111.51 -221.596 GPRESSURE: 2603000 -110.632 24.751 19.6792 58.9146 -129.959 -139.008 28.2173 -73.4257 -168.123 PRESSAVG: 2603000 42.9142 30.66 6.18044 30.6599 -13.5631 -61.5471 6.18046 -61.547 -9.76671 GPRESSAVG: 2603000 42.8777 29.4822 7.04477 31.5845 -13.7151 -59.4885 6.76949 -62.9206 -9.79648 TIMING: 2603000 CPU: 7843.95, 0.00300436/step Wall: 7843.95, 0.00300436/step, 2.0004 hours remaining, 209.781250 MB of memory in use. ENERGY: 2603000 780.5905 2062.7041 1932.2637 117.2295 -205880.7707 17715.2785 0.0000 0.0000 34345.2680 -148927.4366 299.9458 -183272.7045 -148827.4130 299.1798 -170.7362 -136.2381 559272.8990 6.5281 6.4554 PRESSURE: 2603200 -109.896 -112.696 -47.055 -112.697 -2.98309 -55.8946 -47.0553 -55.896 -103.867 GPRESSURE: 2603200 -94.993 -88.4583 -48.3494 -107.415 38.9603 -162.044 -51.1135 -20.0872 -57.8107 PRESSAVG: 2603200 -5.45016 -4.89331 37.2291 -4.89344 -36.5111 39.0871 37.229 39.0872 -17.6007 GPRESSAVG: 2603200 -4.33025 -6.46922 35.6314 -4.55865 -37.3271 37.0679 39.7997 39.8935 -17.9585 TIMING: 2603200 CPU: 7844.55, 0.00300964/step Wall: 7844.55, 0.00300964/step, 2.00375 hours remaining, 209.781250 MB of memory in use. ENERGY: 2603200 737.5717 2091.2853 1922.6492 106.3679 -205761.9302 17625.0750 0.0000 0.0000 34260.3945 -149018.5867 299.2045 -183278.9811 -148928.0016 299.7861 -72.2488 -37.9478 558277.4588 -19.8540 -19.8719 PRESSURE: 2603400 -76.2332 -0.186012 -44.4529 -0.186934 76.0505 -158.938 -44.4531 -158.937 -206.433 GPRESSURE: 2603400 -66.7214 1.19615 -142.414 -33.4093 124.809 -99.831 -10.6611 -76.0262 -166.553 PRESSAVG: 2603400 14.9558 -38.4264 -18.1583 -38.4264 88.328 -11.3795 -18.1582 -11.3796 -46.9925 GPRESSAVG: 2603400 12.9111 -38.1772 -16.8798 -37.2085 89.963 -10.9371 -21.0637 -11.9629 -45.9854 TIMING: 2603400 CPU: 7845.15, 0.00299838/step Wall: 7845.15, 0.00299838/step, 1.99609 hours remaining, 209.781250 MB of memory in use. ENERGY: 2603400 718.4204 2081.1223 1906.1961 116.6405 -205766.1557 17657.8978 0.0000 0.0000 34400.2391 -148885.6395 300.4258 -183285.8785 -148787.4852 300.4030 -68.8718 -36.1550 559269.5544 18.7637 18.9629 PRESSURE: 2603600 -66.2563 90.3543 -6.49537 90.3552 -190.658 5.3253 -6.49499 5.3248 -307.722 GPRESSURE: 2603600 -19.6198 128.982 57.437 114.804 -161.575 52.447 -33.5616 26.8998 -285.75 PRESSAVG: 2603600 -24.4679 -27.5554 9.12057 -27.5554 23.7991 5.39158 9.12062 5.39162 -20.9018 GPRESSAVG: 2603600 -23.1148 -25.1282 8.73311 -29.6888 22.8807 5.87655 10.6274 6.63044 -21.071 TIMING: 2603600 CPU: 7845.75, 0.00299351/step Wall: 7845.75, 0.0029935/step, 1.99268 hours remaining, 209.781250 MB of memory in use. ENERGY: 2603600 739.5783 2114.2910 1945.4174 115.4831 -205621.9254 17453.7465 0.0000 0.0000 34279.6882 -148973.7209 299.3730 -183253.4091 -148879.3146 300.1785 -188.2120 -155.6483 558654.1475 -7.1902 -7.1017 PRESSURE: 2603800 -22.3765 -26.7809 -103.137 -26.7817 55.7399 233.529 -103.136 233.529 -93.7741 GPRESSURE: 2603800 41.428 -78.3141 -139.517 22.5552 119.462 257.998 -102.008 269.368 -121.244 PRESSAVG: 2603800 -35.6966 -2.19128 -41.2346 -2.19126 38.2138 46.5763 -41.2346 46.5762 -2.19169 GPRESSAVG: 2603800 -35.2251 -6.71022 -40.8054 0.903671 38.7982 47.7096 -42.5849 46.3094 -3.34407 TIMING: 2603800 CPU: 7846.35, 0.00302106/step Wall: 7846.35, 0.00302106/step, 2.01085 hours remaining, 209.781250 MB of memory in use. ENERGY: 2603800 754.6395 2150.0329 1928.4474 112.4564 -206002.6182 17867.6858 0.0000 0.0000 34232.1084 -148957.2478 298.9575 -183189.3562 -148863.2684 300.1608 -20.1369 13.2155 558678.2302 0.1085 0.0763 PRESSURE: 2604000 -5.3166 174.531 -131.291 174.532 232.976 -4.41295 -131.292 -4.41256 203.428 GPRESSURE: 2604000 10.2878 165.527 -218.376 223.383 267.305 0.420458 -44.0106 29.788 239.55 PRESSAVG: 2604000 -16.7368 16.1201 -28.7588 16.1201 -36.6759 -12.6677 -28.7589 -12.6677 -14.8977 GPRESSAVG: 2604000 -17.7468 18.7239 -26.7887 14.7828 -36.8085 -13.0673 -28.3467 -12.8282 -14.0999 TIMING: 2604000 CPU: 7846.96, 0.00302888/step Wall: 7846.96, 0.00302888/step, 2.01589 hours remaining, 209.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2604000 689.5656 2119.3623 1918.3067 120.1874 -206013.4419 17727.0782 0.0000 0.0000 34259.2550 -149179.6866 299.1946 -183438.9416 -149086.3639 299.3353 143.6960 172.3810 556538.6913 -22.7701 -22.8851 PRESSURE: 2604200 17.4862 -42.0278 110.259 -42.0274 -215.719 6.19585 110.259 6.19616 243.639 GPRESSURE: 2604200 79.7892 -67.0422 145.895 -37.5544 -171.722 81.7998 20.0444 -22.895 215.577 PRESSAVG: 2604200 -72.3932 -36.1312 -1.81136 -36.1312 -20.2606 75.3455 -1.81128 75.3455 32.4733 GPRESSAVG: 2604200 -72.3382 -34.8555 -2.69652 -37.0463 -20.7458 74.3267 -0.947309 74.7533 33.0509 TIMING: 2604200 CPU: 7847.56, 0.0029988/step Wall: 7847.56, 0.0029988/step, 1.9957 hours remaining, 209.781250 MB of memory in use. ENERGY: 2604200 738.8730 2074.0797 1946.2032 126.9137 -206199.7054 17719.7427 0.0000 0.0000 34234.9305 -149358.9626 298.9822 -183593.8931 -149265.0965 299.0304 15.1356 41.2148 555649.7673 -20.0602 -20.0110 LDB: ============= START OF LOAD BALANCING ============== 7851.07 LDB: ============== END OF LOAD BALANCING =============== 7851.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7851.07 LDB: ============= START OF LOAD BALANCING ============== 7851.38 LDB: Largest compute 4794 load 0.024279 is 20.5% of average load 0.118154 LDB: Average compute 0.001727 is 1.5% of average load 0.118154 LDB: TIME 7851.38 LOAD: AVG 0.118154 MAX 0.211375 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 7851.38 LOAD: AVG 0.118154 MAX 0.211375 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: TIME 7851.38 LOAD: AVG 0.118154 MAX 0.211375 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: ============== END OF LOAD BALANCING =============== 7851.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7851.38 PRESSURE: 2604400 6.31744 75.1874 92.0843 75.1883 -89.8503 122.933 92.0843 122.931 -191.258 GPRESSURE: 2604400 40.3715 72.7772 -72.3022 -11.4885 -14.5745 84.8504 159.508 125.838 -210.622 PRESSAVG: 2604400 7.4697 36.5293 48.9238 36.5294 -35.5896 52.5145 48.9237 52.5144 18.2043 GPRESSAVG: 2604400 7.78509 37.1379 46.9925 36.9433 -34.8898 52.2732 48.5697 53.598 17.3017 TIMING: 2604400 CPU: 7848.17, 0.00306402/step Wall: 7848.17, 0.00306402/step, 2.03893 hours remaining, 210.085938 MB of memory in use. ENERGY: 2604400 731.9902 2124.8264 1928.3563 120.6174 -206271.7024 17694.5572 0.0000 0.0000 34402.8621 -149268.4926 300.4488 -183671.3547 -149177.1073 299.3254 -91.5968 -61.6082 557413.4876 -3.3052 -3.2677 PRESSURE: 2604600 28.1849 64.9895 112.032 64.9887 -2.53137 -49.2634 112.033 -49.2643 17.8051 GPRESSURE: 2604600 40.8091 34.2112 112.372 56.0655 -8.53111 9.45082 157.387 -90.5411 104.255 PRESSAVG: 2604600 2.93371 -14.6048 18.9119 -14.6048 -38.1126 52.6203 18.9119 52.6203 -49.197 GPRESSAVG: 2604600 1.97216 -17.4535 20.6479 -13.6595 -39.0229 52.8907 17.5981 51.5184 -47.7155 TIMING: 2604600 CPU: 7848.77, 0.00301195/step Wall: 7848.77, 0.00301195/step, 2.00412 hours remaining, 210.136719 MB of memory in use. ENERGY: 2604600 720.9487 2113.6552 1929.1951 114.3786 -206199.6918 17849.8176 0.0000 0.0000 34247.9351 -149223.7616 299.0957 -183471.6966 -149126.0170 298.9276 14.4862 45.5109 558811.2191 -28.1253 -28.2554 PRESSURE: 2604800 157.427 37.0373 38.5637 37.0369 179.385 -19.1643 38.5622 -19.1644 306.037 GPRESSURE: 2604800 206.579 33.6683 82.5356 132.952 192.886 -143.123 -66.2452 43.0834 354.701 PRESSAVG: 2604800 -19.5804 1.38578 9.78285 1.38579 -2.0303 -53.1337 9.78282 -53.1338 2.44146 GPRESSAVG: 2604800 -18.7841 1.90155 7.98335 0.854167 -1.42803 -52.9397 9.66408 -52.2612 1.41219 TIMING: 2604800 CPU: 7849.37, 0.00300247/step Wall: 7849.37, 0.00300247/step, 1.99764 hours remaining, 210.261719 MB of memory in use. ENERGY: 2604800 721.6326 2131.6748 1927.1956 118.4288 -206417.5121 18107.2968 0.0000 0.0000 34094.4680 -149316.8154 297.7555 -183411.2834 -149215.8723 299.5898 214.2830 251.3888 556435.0123 -6.3897 -6.2666 PRESSURE: 2605000 95.3379 -38.8421 14.0224 -38.8426 174.18 -8.81899 14.0224 -8.81852 -166.011 GPRESSURE: 2605000 166.853 -8.41889 108.927 -98.3628 239.622 32.9265 29.9278 -15.889 -214.233 PRESSAVG: 2605000 28.8181 23.454 -14.3492 23.454 30.3756 21.9837 -14.3492 21.9837 -58.1123 GPRESSAVG: 2605000 27.9429 25.878 -15.2429 22.8015 31.716 21.3495 -11.1861 22.7192 -58.4953 TIMING: 2605000 CPU: 7849.98, 0.00303863/step Wall: 7849.98, 0.00303863/step, 2.02153 hours remaining, 210.261719 MB of memory in use. ENERGY: 2605000 737.3378 2105.1647 1923.0705 110.8887 -206591.3430 18083.8168 0.0000 0.0000 34200.1108 -149430.9538 298.6781 -183631.0646 -149329.6473 299.0977 34.5023 64.0807 557861.3905 0.3605 0.3879 PRESSURE: 2605200 356.825 -53.5316 216.118 -53.5315 231.042 62.2663 216.119 62.2672 137.919 GPRESSURE: 2605200 364.191 -15.7882 205.027 -45.3924 296.379 50.3252 174.272 174.6 159.8 PRESSAVG: 2605200 91.3913 -47.1941 38.5931 -47.194 2.34451 38.9897 38.5931 38.9896 -56.081 GPRESSAVG: 2605200 92.345 -49.6325 41.5605 -44.974 1.19772 39.4607 35.8115 38.3442 -55.9703 TIMING: 2605200 CPU: 7850.58, 0.00300267/step Wall: 7850.58, 0.00300267/step, 1.99744 hours remaining, 210.261719 MB of memory in use. ENERGY: 2605200 722.0069 2095.0521 1948.6393 112.5549 -207065.0119 18400.4474 0.0000 0.0000 34430.9222 -149355.3892 300.6938 -183786.3114 -149259.5830 298.9585 241.9286 273.4567 556139.1993 12.5516 12.5241 PRESSURE: 2605400 -159.329 -221.082 39.3862 -221.082 -19.0459 26.7568 39.3866 26.7566 -158.659 GPRESSURE: 2605400 -80.3962 -244.533 -23.2712 -197.438 -28.1499 -44.1147 15.39 55.6129 -123.454 PRESSAVG: 2605400 82.3687 -28.6452 53.7666 -28.6453 -7.14012 51.7598 53.7667 51.7598 -97.494 GPRESSAVG: 2605400 80.5774 -27.5848 52.7807 -30.1496 -7.36086 51.0013 55.3144 53.1516 -95.2922 TIMING: 2605400 CPU: 7851.18, 0.00298109/step Wall: 7851.18, 0.00298109/step, 1.98292 hours remaining, 210.261719 MB of memory in use. ENERGY: 2605400 745.5486 2121.4183 1923.7164 129.7130 -205961.6515 17598.4183 0.0000 0.0000 34179.5275 -149263.3094 298.4983 -183442.8369 -149162.0004 298.5602 -112.3447 -77.3333 558031.9578 -7.4218 -7.3586 PRESSURE: 2605600 21.4651 -14.7296 -16.5054 -14.7304 65.714 -44.648 -16.5057 -44.6497 -92.5674 GPRESSURE: 2605600 44.6361 -58.3703 42.0701 -35.2051 94.9 -50.2053 -153.217 17.7403 -54.8213 PRESSAVG: 2605600 66.8205 -49.8516 11.85 -49.8515 -12.1665 45.4972 11.85 45.4973 -105.846 GPRESSAVG: 2605600 67.8537 -50.0952 11.2185 -50.4826 -12.2785 46.6411 11.1171 44.0885 -106.533 TIMING: 2605600 CPU: 7851.77, 0.00298594/step Wall: 7851.77, 0.00298594/step, 1.98598 hours remaining, 210.261719 MB of memory in use. ENERGY: 2605600 776.0650 2107.4783 1959.1979 103.6913 -206305.0852 18022.7149 0.0000 0.0000 34196.2598 -149139.6780 298.6444 -183335.9378 -149043.5499 299.4143 -1.7961 28.2383 558665.3096 -17.0639 -16.9860 PRESSURE: 2605800 156.025 -74.8249 23.2414 -74.8253 -10.2292 -174.553 23.2395 -174.552 201.455 GPRESSURE: 2605800 109.407 -106.822 33.7681 -49.444 80.966 -181.966 14.8501 -111.944 247.29 PRESSAVG: 2605800 57.9297 50.8137 -8.77994 50.8138 -50.6417 -9.30539 -8.77991 -9.3054 3.33958 GPRESSAVG: 2605800 57.6224 52.0613 -7.79834 48.7469 -49.7267 -8.83488 -8.30378 -10.3134 3.05987 TIMING: 2605800 CPU: 7852.37, 0.00299164/step Wall: 7852.37, 0.00299164/step, 1.9896 hours remaining, 210.261719 MB of memory in use. ENERGY: 2605800 768.5389 2114.0707 1951.0064 125.0904 -206287.2837 17993.1745 0.0000 0.0000 34322.1890 -149013.2137 299.7442 -183335.4027 -148922.1013 300.0843 115.7500 145.8876 558631.7294 3.5425 3.6518 PRESSURE: 2606000 114.372 19.03 -89.4007 19.0301 282.194 27.15 -89.4015 27.1501 144.697 GPRESSURE: 2606000 163.984 10.977 -125.957 26.8189 323.25 78.8306 -16.6784 43.1483 137.981 PRESSAVG: 2606000 12.3623 31.7271 35.136 31.7271 1.46665 -5.37162 35.136 -5.37162 -20.226 GPRESSAVG: 2606000 11.051 30.3008 34.6415 35.239 0.914941 -4.82801 34.9627 -3.67096 -19.5831 TIMING: 2606000 CPU: 7852.97, 0.00299639/step Wall: 7852.97, 0.00299639/step, 1.9926 hours remaining, 210.261719 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: 2606000 794.0875 2110.6667 1953.6723 123.1281 -206969.8262 18345.0437 0.0000 0.0000 34504.7724 -149138.4555 301.3388 -183643.2280 -149041.1429 300.3614 180.4209 208.4048 557860.5310 -2.1324 -2.5391 PRESSURE: 2606200 -9.31701 179.655 -82.5115 179.656 272.651 43.9177 -82.5125 43.9191 273.592 GPRESSURE: 2606200 43.5507 196.031 -17.4569 94.0789 275.328 18.5982 -132.272 116.151 302.099 PRESSAVG: 2606200 -31.0184 44.9771 -26.7619 44.9771 58.6746 -43.8268 -26.7619 -43.8268 -41.9676 GPRESSAVG: 2606200 -29.2785 44.8721 -26.4917 44.82 57.7265 -45.465 -28.2555 -43.651 -42.3548 TIMING: 2606200 CPU: 7853.58, 0.00302707/step Wall: 7853.58, 0.00302707/step, 2.01283 hours remaining, 210.261719 MB of memory in use. ENERGY: 2606200 765.2775 2111.7884 1925.6069 115.1505 -206395.2869 18077.6017 0.0000 0.0000 34324.5277 -149075.3341 299.7646 -183399.8618 -148984.8814 299.7347 178.9752 206.9926 557980.3019 -4.7704 -4.6356 PRESSURE: 2606400 -1.3535 -114.165 142.758 -114.166 66.6379 -54.0887 142.757 -54.0888 325.284 GPRESSURE: 2606400 3.77247 -64.4409 249.784 -72.1455 145.043 -69.9688 74.2357 -73.4118 343.809 PRESSAVG: 2606400 -38.3071 38.9327 16.3224 38.9326 -23.0172 35.9448 16.3224 35.9448 31.0903 GPRESSAVG: 2606400 -38.8088 40.3555 14.9314 38.8436 -23.6587 35.5462 17.7003 36.9308 32.1936 TIMING: 2606400 CPU: 7854.18, 0.00303502/step Wall: 7854.18, 0.00303502/step, 2.01795 hours remaining, 210.261719 MB of memory in use. ENERGY: 2606400 715.2817 2116.7467 1935.3542 105.1921 -206086.6377 17906.3787 0.0000 0.0000 34409.3313 -148898.3531 300.5052 -183307.6844 -148806.5469 299.4918 130.1894 164.2085 556872.8712 -10.0780 -10.0913 PRESSURE: 2606600 10.271 -91.1807 -153.899 -91.1811 -35.1637 55.9534 -153.9 55.9545 259.667 GPRESSURE: 2606600 24.1775 -137.788 -84.6758 -69.3279 40.2305 57.103 -138.21 105.706 259.393 PRESSAVG: 2606600 -31.4743 31.2788 16.9555 31.2787 39.426 15.3009 16.9555 15.3009 19.7793 GPRESSAVG: 2606600 -31.3988 27.3748 17.54 32.3684 41.4682 16.8295 17.2023 11.7664 17.5026 TIMING: 2606600 CPU: 7854.8, 0.00307122/step Wall: 7854.8, 0.00307122/step, 2.04185 hours remaining, 210.261719 MB of memory in use. ENERGY: 2606600 704.9714 2117.9612 1928.8894 116.3695 -205759.6258 17868.1726 0.0000 0.0000 34176.0725 -148847.1893 298.4681 -183023.2617 -148750.2755 300.6459 78.2582 107.9337 559375.6880 9.2436 9.1907 PRESSURE: 2606800 34.3206 62.7864 -106.042 62.7864 -115.615 -23.0635 -106.043 -23.0632 -201.79 GPRESSURE: 2606800 48.5115 2.61599 -57.9997 169.131 -90.4068 7.48198 -88.63 11.6232 -156.365 PRESSAVG: 2606800 -24.682 -36.7071 -18.5785 -36.7072 2.60303 -52.1607 -18.5785 -52.1608 -0.108066 GPRESSAVG: 2606800 -23.7416 -34.0121 -16.4175 -39.8649 1.53985 -55.0334 -18.4757 -51.3217 -0.115102 TIMING: 2606800 CPU: 7855.4, 0.00299796/step Wall: 7855.4, 0.00299796/step, 1.99297 hours remaining, 210.261719 MB of memory in use. ENERGY: 2606800 746.0367 2112.2794 1907.3857 107.2646 -205870.3619 17751.5475 0.0000 0.0000 34327.8337 -148918.0143 299.7935 -183245.8480 -148819.2958 300.5659 -94.3614 -66.0869 560005.8202 -7.3957 -7.4389 PRESSURE: 2607000 32.7141 148.697 135.084 148.697 -96.416 13.8524 135.086 13.8527 -259.928 GPRESSURE: 2607000 23.3407 133.297 76.3111 162.351 -30.1376 -44.5375 94.9391 19.8398 -219.646 PRESSAVG: 2607000 13.2586 39.8428 14.3152 39.8427 73.4484 -40.6889 14.3152 -40.6889 -25.6193 GPRESSAVG: 2607000 12.4489 41.1316 11.9829 39.5501 73.4252 -39.1528 12.7508 -40.725 -25.0092 TIMING: 2607000 CPU: 7855.99, 0.00298368/step Wall: 7855.99, 0.00298368/step, 1.98332 hours remaining, 210.261719 MB of memory in use. ENERGY: 2607000 728.7052 2044.5210 1935.1413 100.9359 -205938.7936 17586.6238 0.0000 0.0000 34580.6690 -148962.1975 302.0016 -183542.8665 -148864.2469 299.6468 -107.8768 -75.4810 558322.3807 20.3626 20.2883 PRESSURE: 2607200 -307.474 -62.6056 -46.3443 -62.6061 -88.6194 -57.4716 -46.3432 -57.4706 -116.571 GPRESSURE: 2607200 -281.981 17.8215 -35.974 -145.566 -47.7721 -84.9603 -97.9761 -30.4118 -69.7658 PRESSAVG: 2607200 0.313907 2.60359 35.292 2.60349 58.7871 -23.7589 35.2921 -23.7588 -60.6022 GPRESSAVG: 2607200 -0.0611208 1.95217 35.0315 2.17313 59.7331 -23.2225 36.3401 -23.2226 -61.7064 TIMING: 2607200 CPU: 7856.59, 0.00300124/step Wall: 7856.59, 0.00300124/step, 1.99482 hours remaining, 210.261719 MB of memory in use. ENERGY: 2607200 714.3714 2101.7050 1926.9090 116.0709 -205920.6020 17484.2009 0.0000 0.0000 34638.5977 -148938.7471 302.5075 -183577.3448 -148844.3997 300.4591 -170.8881 -133.1729 557873.5715 -0.5004 -0.6781 PRESSURE: 2607400 -290.089 20.4048 -36.1803 20.404 -10.9766 9.67898 -36.1803 9.67889 -134.733 GPRESSURE: 2607400 -225.427 68.576 47.1072 -2.04432 -3.21263 38.0295 -80.9758 19.0763 -99.6194 PRESSAVG: 2607400 -31.2518 -15.4522 8.94147 -15.4523 25.8064 -40.1951 8.94146 -40.1951 -9.35185 GPRESSAVG: 2607400 -30.9866 -17.0412 8.538 -13.3831 24.7148 -38.9054 10.7008 -41.2399 -8.12778 TIMING: 2607400 CPU: 7857.2, 0.00301508/step Wall: 7857.2, 0.00301508/step, 2.00385 hours remaining, 210.261719 MB of memory in use. ENERGY: 2607400 771.6829 2072.9779 1928.0701 114.7405 -205533.8503 17620.7646 0.0000 0.0000 34318.0331 -148707.5811 299.7079 -183025.6142 -148615.6313 301.1988 -145.2661 -109.4197 557764.3892 -4.9324 -4.7999 PRESSURE: 2607600 -108.193 41.9341 -75.695 41.9334 56.353 44.1396 -75.6953 44.1396 85.3523 GPRESSURE: 2607600 -113.985 19.3208 -19.9976 43.7561 97.3038 43.7509 -120.83 22.2017 161.952 PRESSAVG: 2607600 11.1789 60.0406 57.063 60.0408 20.5416 -17.9794 57.0631 -17.9795 17.3925 GPRESSAVG: 2607600 11.0331 59.5586 59.8169 60.4772 21.2656 -18.8959 53.7875 -16.0274 17.0369 TIMING: 2607600 CPU: 7857.8, 0.00300132/step Wall: 7857.8, 0.00300131/step, 1.99454 hours remaining, 210.261719 MB of memory in use. ENERGY: 2607600 791.1765 2034.2300 1940.9337 120.0605 -205964.4387 17841.1383 0.0000 0.0000 34400.4765 -148836.4233 300.4279 -183236.8998 -148728.3554 301.0568 11.1707 48.4236 557905.5058 16.3710 16.4452 PRESSURE: 2607800 -224.369 -89.2968 -20.848 -89.2975 196.11 5.20651 -20.8471 5.20369 255.302 GPRESSURE: 2607800 -144.504 7.34691 -63.6479 6.08423 262.024 -56.1894 -29.8783 75.0427 214.847 PRESSAVG: 2607800 -21.3492 0.881443 18.46 0.88136 67.5475 -15.9708 18.4601 -15.9708 -10.4451 GPRESSAVG: 2607800 -21.281 4.01595 15.18 0.485804 67.7958 -14.9367 20.8134 -18.6564 -10.2274 TIMING: 2607800 CPU: 7858.39, 0.00297682/step Wall: 7858.39, 0.00297682/step, 1.9781 hours remaining, 210.261719 MB of memory in use. ENERGY: 2607800 750.1239 2133.1914 1946.8756 111.0229 -206320.9648 18003.1769 0.0000 0.0000 34333.9731 -149042.6011 299.8471 -183376.5742 -148943.3733 300.4440 75.6809 110.7891 558339.7859 11.9177 12.0958 PRESSURE: 2608000 36.8304 -94.2576 -64.2122 -94.2589 -116.695 102.062 -64.2136 102.063 40.5629 GPRESSURE: 2608000 86.7066 -72.5431 -109.339 -48.7759 -57.8894 144.922 -61.8515 78.7863 34.8445 PRESSAVG: 2608000 24.6065 28.3375 29.5567 28.3374 3.66077 37.8604 29.5566 37.8605 10.758 GPRESSAVG: 2608000 25.8774 27.1944 32.5285 27.3675 3.31682 36.024 27.6684 38.1209 9.96125 TIMING: 2608000 CPU: 7858.99, 0.00301161/step Wall: 7858.99, 0.00301161/step, 2.00105 hours remaining, 210.261719 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: 2608000 739.8183 2058.5142 1941.7027 109.9539 -206109.8877 17816.0196 0.0000 0.0000 34236.2770 -149207.6020 298.9939 -183443.8790 -149111.0193 299.4204 -13.1005 21.2206 559379.7406 13.0084 13.0518 PRESSURE: 2608200 -4.97752 71.089 132.776 71.0893 -69.8463 114.729 132.777 114.728 -45.1292 GPRESSURE: 2608200 5.6773 101.108 96.6526 48.6414 1.88587 195.706 163.923 92.7472 -23.9668 PRESSAVG: 2608200 14.183 22.32 15.9788 22.3201 -2.62014 -38.3479 15.9787 -38.3478 -27.0422 GPRESSAVG: 2608200 13.0294 22.3125 13.6025 22.783 -1.95923 -40.137 17.1584 -36.4284 -26.1371 TIMING: 2608200 CPU: 7859.6, 0.00304379/step Wall: 7859.6, 0.00304379/step, 2.02226 hours remaining, 210.261719 MB of memory in use. ENERGY: 2608200 711.7235 2137.0320 1925.6715 107.1992 -206185.2780 17782.1684 0.0000 0.0000 34151.8642 -149369.6192 298.2567 -183521.4834 -149276.6081 298.7304 -39.9843 -5.4679 559319.4676 -5.1598 -5.0223 LDB: ============= START OF LOAD BALANCING ============== 7863.12 LDB: ============== END OF LOAD BALANCING =============== 7863.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7863.12 LDB: ============= START OF LOAD BALANCING ============== 7863.42 LDB: Largest compute 4794 load 0.024323 is 20.6% of average load 0.118062 LDB: Average compute 0.001718 is 1.5% of average load 0.118062 LDB: TIME 7863.42 LOAD: AVG 0.118062 MAX 0.210196 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209 MB LDB: TIME 7863.42 LOAD: AVG 0.118062 MAX 0.210196 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209 MB LDB: TIME 7863.42 LOAD: AVG 0.118062 MAX 0.210196 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209 MB LDB: ============== END OF LOAD BALANCING =============== 7863.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7863.43 PRESSURE: 2608400 186.525 -12.2911 153.147 -12.2907 135.717 79.3367 153.148 79.3354 -1.42368 GPRESSURE: 2608400 188.847 20.3754 100.24 -95.6224 164.243 37.3144 87.977 96.8785 73.6723 PRESSAVG: 2608400 58.2846 -18.819 20.3042 -18.819 -33.4375 -10.638 20.3042 -10.6379 -46.206 GPRESSAVG: 2608400 58.962 -20.5208 18.3032 -17.5061 -33.657 -8.63725 21.382 -11.1032 -46.2491 TIMING: 2608400 CPU: 7860.21, 0.00305675/step Wall: 7860.21, 0.00305675/step, 2.0307 hours remaining, 209.316406 MB of memory in use. ENERGY: 2608400 758.5865 2108.3565 1922.0309 111.0302 -206714.7713 18201.9063 0.0000 0.0000 34179.3049 -149433.5560 298.4964 -183612.8609 -149339.8880 298.8054 106.9397 142.2540 557417.4999 -7.1196 -6.9814 PRESSURE: 2608600 189.849 -15.2859 62.5792 -15.2869 -89.6308 -44.7002 62.5791 -44.7012 315.12 GPRESSURE: 2608600 186.024 8.29527 42.4845 -2.43129 -34.9917 -5.10649 90.9245 -38.2637 360.959 PRESSAVG: 2608600 52.012 -16.9057 53.6299 -16.9057 -59.071 10.9258 53.6299 10.9258 7.12044 GPRESSAVG: 2608600 52.4256 -15.3993 58.435 -20.6125 -59.5749 9.17146 52.958 9.26001 6.98588 TIMING: 2608600 CPU: 7860.81, 0.00298493/step Wall: 7860.81, 0.00298493/step, 1.98283 hours remaining, 209.316406 MB of memory in use. ENERGY: 2608600 729.2780 2116.2239 1923.2584 126.3883 -206363.6852 17972.9773 0.0000 0.0000 34290.7987 -149204.7607 299.4701 -183495.5594 -149111.1618 298.5328 138.4460 170.6639 557416.1493 0.0205 -0.0545 PRESSURE: 2608800 47.7423 22.3886 -105.651 22.3889 91.1508 68.2206 -105.651 68.2194 -115.456 GPRESSURE: 2608800 106.339 -28.5344 -46.2635 82.1478 92.8945 39.522 -101.791 109.545 -79.8385 PRESSAVG: 2608800 90.4056 -31.2976 12.9192 -31.2977 -135.371 86.7808 12.9192 86.7808 18.7293 GPRESSAVG: 2608800 90.0713 -32.2176 11.5389 -27.8093 -135.438 88.6067 10.6311 89.2112 18.8767 TIMING: 2608800 CPU: 7861.41, 0.0029965/step Wall: 7861.41, 0.0029965/step, 1.99034 hours remaining, 209.316406 MB of memory in use. ENERGY: 2608800 758.5239 2110.4506 1919.8737 100.8692 -206001.5079 17691.7595 0.0000 0.0000 34214.2174 -149205.8136 298.8013 -183420.0309 -149104.8042 299.3552 7.8125 39.7983 558040.2545 -8.7452 -8.8300 PRESSURE: 2609000 -135.34 209.391 148.405 209.391 -212.694 -87.153 148.404 -87.1531 47.0508 GPRESSURE: 2609000 -124.735 194.249 138.254 221.699 -163.24 -16.7099 110.127 -121.326 87.5849 PRESSAVG: 2609000 -2.48207 9.23164 10.8054 9.23164 25.3647 16.3269 10.8054 16.3267 -61.681 GPRESSAVG: 2609000 -2.16206 10.4919 8.6655 6.41132 25.9239 16.3905 14.6907 13.2741 -61.7916 TIMING: 2609000 CPU: 7862.01, 0.00297778/step Wall: 7862.01, 0.00297778/step, 1.97774 hours remaining, 209.316406 MB of memory in use. ENERGY: 2609000 736.2505 2150.2078 1922.6218 115.7828 -205811.1640 17483.6445 0.0000 0.0000 34346.5908 -149056.0659 299.9573 -183402.6567 -148956.3369 299.8769 -100.3279 -66.7966 558986.2432 -12.9328 -12.6766 PRESSURE: 2609200 -156.972 -138.172 -79.7154 -138.171 -111.85 -62.8035 -79.716 -62.8049 90.5443 GPRESSURE: 2609200 -148.915 -84.755 -128.081 -114.203 -52.4577 -90.8966 -63.8667 -23.7453 118.264 PRESSAVG: 2609200 32.9433 -14.2915 4.62461 -14.2914 -8.51714 -41.219 4.62456 -41.2191 -18.4262 GPRESSAVG: 2609200 33.3963 -14.6541 6.33063 -12.7012 -10.4773 -42.9887 1.1284 -37.98 -17.832 TIMING: 2609200 CPU: 7862.6, 0.00298755/step Wall: 7862.6, 0.00298755/step, 1.98407 hours remaining, 209.316406 MB of memory in use. ENERGY: 2609200 743.3031 2115.6508 1935.9324 111.4769 -206420.1265 17987.7212 0.0000 0.0000 34317.8396 -149208.2025 299.7062 -183526.0422 -149105.1015 299.7631 -59.4259 -27.7031 557374.2638 2.0000 1.6956 PRESSURE: 2609400 179.176 49.305 119.233 49.3062 -156.408 -92.2425 119.233 -92.2392 32.0112 GPRESSURE: 2609400 144.447 78.841 95.3832 51.3674 -51.1694 -52.9992 153.002 -120.457 58.9877 PRESSAVG: 2609400 -27.7855 -10.8465 -3.51618 -10.8465 16.0844 -33.4261 -3.51624 -33.4262 51.1748 GPRESSAVG: 2609400 -27.6424 -9.86889 -2.58041 -10.8931 17.3223 -33.0286 -2.33541 -35.5 49.6982 TIMING: 2609400 CPU: 7863.2, 0.002957/step Wall: 7863.2, 0.002957/step, 1.96361 hours remaining, 209.316406 MB of memory in use. ENERGY: 2609400 743.3903 2076.0625 1931.9825 119.2255 -206097.6614 17854.3045 0.0000 0.0000 34200.1251 -149172.5710 298.6782 -183372.6961 -149080.0156 299.2895 18.2599 50.7552 556781.7006 13.1579 13.1261 PRESSURE: 2609600 -297.508 116.91 -127.837 116.91 -402.783 -33.9495 -127.836 -33.9503 -81.4064 GPRESSURE: 2609600 -259.25 118.715 -80.4393 94.8146 -360.322 -156.511 -141.93 52.8657 -66.7068 PRESSAVG: 2609600 7.83078 13.8941 14.4036 13.8942 -15.0148 -3.02993 14.4036 -3.02987 -11.1621 GPRESSAVG: 2609600 5.77611 11.9193 13.8179 14.1092 -14.4218 -2.7236 14.9582 -1.896 -10.084 TIMING: 2609600 CPU: 7863.79, 0.00296784/step Wall: 7863.79, 0.00296784/step, 1.97065 hours remaining, 209.316406 MB of memory in use. ENERGY: 2609600 798.3108 2073.1461 1918.7070 117.8722 -205792.4088 17350.3506 0.0000 0.0000 34178.0739 -149355.9482 298.4856 -183534.0221 -149261.5228 298.9386 -260.5658 -228.7594 557157.9129 -6.1154 -6.2433 PRESSURE: 2609800 42.5664 114.607 -3.82942 114.606 9.46479 72.4757 -3.82817 72.4743 -34.3537 GPRESSURE: 2609800 79.5215 60.5968 -18.107 157.947 38.5623 107.247 73.9879 126.348 -15.5145 PRESSAVG: 2609800 -36.5319 29.3756 23.17 29.3755 49.8319 11.0913 23.1699 11.0915 -44.2536 GPRESSAVG: 2609800 -34.7324 29.7643 24.2795 28.8011 49.0208 11.9158 22.796 11.3583 -45.6014 TIMING: 2609800 CPU: 7864.39, 0.00299277/step Wall: 7864.39, 0.00299277/step, 1.98703 hours remaining, 209.316406 MB of memory in use. ENERGY: 2609800 776.4921 2088.5441 1937.5228 117.4866 -206369.3003 18008.8039 0.0000 0.0000 33985.0508 -149455.4001 296.7999 -183440.4508 -149364.0487 298.6023 5.8925 34.1898 557937.2913 -10.3179 -10.4377 PRESSURE: 2610000 95.6288 19.8632 -102.971 19.8627 147.978 -174.202 -102.971 -174.202 53.3486 GPRESSURE: 2610000 104.421 -72.3254 -11.3617 82.4122 179.257 -136.095 -148.304 -150.514 103.853 PRESSAVG: 2610000 15.5602 -46.4355 25.7552 -46.4355 40.0246 -49.177 25.7552 -49.1769 1.72139 GPRESSAVG: 2610000 15.7527 -43.5169 25.784 -48.1446 40.0785 -46.0749 23.7698 -51.6969 1.86311 TIMING: 2610000 CPU: 7864.99, 0.0030148/step Wall: 7864.99, 0.0030148/step, 2.00149 hours remaining, 209.316406 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: 2610000 723.0526 2106.0338 1930.4165 115.0876 -206510.8789 17991.4663 0.0000 0.0000 34247.6352 -149397.1868 299.0931 -183644.8220 -149306.1076 298.9458 98.9852 129.1773 557909.7122 19.1020 19.2314 PRESSURE: 2610200 145.479 116.389 130.976 116.389 -135.927 31.3279 130.975 31.3288 -137.159 GPRESSURE: 2610200 200.359 109.517 196.953 117.398 -91.6395 81.3734 118.427 121.419 -140.205 PRESSAVG: 2610200 16.115 -16.188 25.395 -16.188 5.41266 5.43385 25.3949 5.43378 -29.7957 GPRESSAVG: 2610200 15.1511 -18.0083 23.0107 -15.2091 5.77566 4.22056 28.3574 7.54901 -29.0825 TIMING: 2610200 CPU: 7865.6, 0.00303608/step Wall: 7865.6, 0.00303608/step, 2.01545 hours remaining, 209.316406 MB of memory in use. ENERGY: 2610200 788.5386 2053.2847 1926.0022 123.7815 -206722.2621 18058.3875 0.0000 0.0000 34384.0774 -149388.1902 300.2847 -183772.2676 -149285.9490 299.2614 -42.5358 -10.4950 557972.4102 -2.7560 -2.7186 PRESSURE: 2610400 25.7141 -40.7434 -123.942 -40.7437 292.353 77.4883 -123.942 77.4887 -392.527 GPRESSURE: 2610400 69.6498 -48.2305 -189.352 -57.3049 307.862 67.1254 -19.5177 -1.35692 -359.791 PRESSAVG: 2610400 54.7158 26.2021 -16.0966 26.2021 -7.40822 18.5299 -16.0965 18.53 -38.2006 GPRESSAVG: 2610400 54.8587 25.9072 -15.9643 25.9982 -7.29659 16.6262 -16.3687 18.4733 -38.5374 TIMING: 2610400 CPU: 7866.2, 0.00303566/step Wall: 7866.2, 0.00303566/step, 2.015 hours remaining, 209.316406 MB of memory in use. ENERGY: 2610400 785.7804 2070.2275 1948.2025 114.2961 -206277.4520 17870.6809 0.0000 0.0000 34257.7897 -149230.4749 299.1818 -183488.2647 -149141.1677 299.7082 -24.8197 5.9067 558153.1284 3.0356 3.0082 PRESSURE: 2610600 14.362 -12.3945 146.947 -12.3955 -47.5145 -3.4249 146.949 -3.42455 -177.328 GPRESSURE: 2610600 35.0275 -28.9296 250.707 -20.8777 -12.0811 -18.3852 156.885 -19.845 -142.811 PRESSAVG: 2610600 54.8426 70.1096 62.6018 70.1097 4.50012 -11.8239 62.6018 -11.8238 -7.18475 GPRESSAVG: 2610600 55.5582 70.7624 63.5621 68.622 4.63212 -11.59 62.4326 -10.5141 -7.83355 TIMING: 2610600 CPU: 7866.81, 0.00303533/step Wall: 7866.81, 0.00303533/step, 2.01462 hours remaining, 209.316406 MB of memory in use. ENERGY: 2610600 805.6940 2099.7889 1918.5545 131.1765 -206617.3018 17985.9418 0.0000 0.0000 34428.8692 -149247.2770 300.6759 -183676.1461 -149154.4101 299.4204 -70.1603 -39.9549 557324.8210 17.3860 17.4523 PRESSURE: 2610800 -12.7863 10.1724 -90.4481 10.1721 -41.5319 -139.653 -90.4487 -139.651 63.5783 GPRESSURE: 2610800 -4.97587 -31.2259 -105.776 13.3054 68.369 -174.006 -60.8293 -45.6265 32.3287 PRESSAVG: 2610800 5.57812 -41.5212 19.4444 -41.5213 -36.3411 -2.65715 19.4444 -2.65709 9.73337 GPRESSAVG: 2610800 4.13725 -43.0259 20.0362 -40.3292 -35.6501 -1.10992 18.7203 -2.86699 11.0498 TIMING: 2610800 CPU: 7867.41, 0.00299916/step Wall: 7867.41, 0.00299916/step, 1.99044 hours remaining, 209.316406 MB of memory in use. ENERGY: 2610800 787.5216 2070.7545 1924.7957 112.1250 -206494.5950 18045.4761 0.0000 0.0000 34359.0529 -149194.8692 300.0662 -183553.9222 -149104.3022 299.0451 3.0867 31.9073 557102.9544 -7.0099 -6.8210 PRESSURE: 2611000 122.339 -17.0745 -76.211 -17.0755 -161.436 58.0133 -76.2101 58.0153 -90.8703 GPRESSURE: 2611000 188.623 -1.98823 -156.028 13.6802 -167.166 55.1726 -64.4584 -0.325882 -58.2435 PRESSAVG: 2611000 -21.2549 -21.8829 -39.172 -21.883 0.235315 10.8457 -39.1721 10.8456 71.0398 GPRESSAVG: 2611000 -19.8291 -22.0441 -41.4934 -20.0081 -1.16453 10.6375 -36.486 11.2887 71.1122 TIMING: 2611000 CPU: 7868.02, 0.00302487/step Wall: 7868.02, 0.00302487/step, 2.00734 hours remaining, 209.316406 MB of memory in use. ENERGY: 2611000 712.6666 2075.8209 1944.8258 108.5645 -206004.9733 17627.7730 0.0000 0.0000 34328.5199 -149206.8025 299.7995 -183535.3225 -149108.7485 299.2137 -43.3223 -12.2621 556887.9932 16.6734 16.7062 PRESSURE: 2611200 215.924 -35.2229 40.4626 -35.2231 -98.6779 -159.862 40.4614 -159.862 -1.28147 GPRESSURE: 2611200 265.194 -23.7493 110.43 -12.8318 -74.6576 -192.736 28.2839 -99.0789 19.5373 PRESSAVG: 2611200 61.7374 -1.83471 -28.2919 -1.83465 -46.9315 -5.36829 -28.2919 -5.36832 29.4276 GPRESSAVG: 2611200 61.4017 -0.312695 -25.7523 -2.67445 -47.1833 -4.97293 -31.4824 -7.49276 29.9331 TIMING: 2611200 CPU: 7868.61, 0.0029815/step Wall: 7868.61, 0.0029815/step, 1.97839 hours remaining, 209.316406 MB of memory in use. ENERGY: 2611200 779.7119 2122.9408 1964.0682 112.9579 -206027.9942 17802.6768 0.0000 0.0000 34176.1988 -149069.4398 298.4692 -183245.6386 -148982.3734 299.8986 38.6549 70.0245 556912.7967 14.7445 14.7172 PRESSURE: 2611400 57.6508 12.4456 37.6859 12.445 -65.89 1.25354 37.6876 1.25271 55.7132 GPRESSURE: 2611400 85.8573 11.5035 8.07695 -95.4372 -71.9815 -24.0236 29.2187 24.8201 130.626 PRESSAVG: 2611400 -33.1887 -50.8249 -0.761354 -50.825 -74.7398 -71.384 -0.761265 -71.3839 80.6668 GPRESSAVG: 2611400 -32.4273 -52.6033 -1.86352 -50.0267 -75.6118 -70.1647 -0.561115 -70.3452 80.7086 TIMING: 2611400 CPU: 7869.21, 0.00297348/step Wall: 7869.21, 0.00297348/step, 1.9729 hours remaining, 209.316406 MB of memory in use. ENERGY: 2611400 745.6842 2088.5493 1966.4867 112.8014 -206232.5842 17738.6312 0.0000 0.0000 34318.4518 -149261.9794 299.7116 -183580.4312 -149163.2774 299.1587 15.8247 48.1673 556042.3230 -9.0872 -9.1102 PRESSURE: 2611600 58.4131 -70.5326 70.1586 -70.5334 28.211 -24.5798 70.158 -24.5799 36.3661 GPRESSURE: 2611600 55.2306 -98.7532 74.5403 0.479961 104.392 -22.3838 17.1286 -14.0616 59.7529 PRESSAVG: 2611600 27.6412 27.3707 -52.0394 27.3708 -50.2672 -12.0001 -52.0394 -12 53.0684 GPRESSAVG: 2611600 26.7606 25.1519 -52.6924 29.6093 -48.8698 -12.9189 -50.2998 -11.8791 52.9234 TIMING: 2611600 CPU: 7869.81, 0.00300385/step Wall: 7869.81, 0.00300385/step, 1.99289 hours remaining, 209.316406 MB of memory in use. ENERGY: 2611600 735.4391 2055.4677 1938.1021 117.6247 -206075.9610 17804.5108 0.0000 0.0000 34059.1634 -149365.6533 297.4471 -183424.8167 -149264.9275 299.0178 40.9967 73.1250 558184.7629 10.1474 10.2714 PRESSURE: 2611800 -320.075 -286.845 -52.3609 -286.845 -207.138 -132.144 -52.3608 -132.143 -224.185 GPRESSURE: 2611800 -287.764 -224.233 -62.7652 -274.983 -177.102 -111.409 2.90057 -144.579 -181.474 PRESSAVG: 2611800 6.46178 -21.3802 -6.65481 -21.3802 21.8127 -3.80537 -6.65483 -3.80532 -10.1511 GPRESSAVG: 2611800 6.33403 -18.9674 -6.75035 -23.1754 22.759 -4.08493 -7.15845 -2.97399 -10.8327 TIMING: 2611800 CPU: 7870.4, 0.00297054/step Wall: 7870.4, 0.00297054/step, 1.97062 hours remaining, 209.316406 MB of memory in use. ENERGY: 2611800 725.3755 2116.3815 1901.9743 111.6397 -205957.5917 17434.0360 0.0000 0.0000 34259.8884 -149408.2964 299.2001 -183668.1848 -149307.3455 299.1580 -250.4661 -215.4469 558099.8431 6.0411 6.0868 PRESSURE: 2612000 -157.001 20.5082 100.078 20.5082 -492.929 -39.2834 100.076 -39.2838 -273.55 GPRESSURE: 2612000 -142.21 14.774 48.1775 68.9781 -469.92 18.9783 147.206 -88.0637 -217.464 PRESSAVG: 2612000 46.0259 -22.2029 23.1371 -22.2028 -4.74947 -21.6781 23.1371 -21.6781 -41.9534 GPRESSAVG: 2612000 46.3669 -22.543 23.1327 -23.296 -6.43125 -23.4761 21.4353 -20.8842 -40.6666 TIMING: 2612000 CPU: 7871, 0.00296979/step Wall: 7871, 0.00296979/step, 1.96996 hours remaining, 209.316406 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: 2612000 755.4174 2080.1708 1926.7148 111.6230 -206068.4448 17363.8062 0.0000 0.0000 34213.1226 -149617.5901 298.7917 -183830.7126 -149523.1952 298.2295 -307.8268 -276.5313 556931.8609 -0.2257 -0.2436 PRESSURE: 2612200 105.116 50.5153 160.265 50.5155 -91.4334 -9.37777 160.265 -9.37704 -45.7391 GPRESSURE: 2612200 178.549 -78.7029 136.607 108.14 -97.9674 -10.4715 165.473 51.017 -14.6671 PRESSAVG: 2612200 63.1707 22.8509 -46.5882 22.8509 -24.1891 -2.35763 -46.5882 -2.35763 -2.58068 GPRESSAVG: 2612200 63.1617 21.2409 -44.7839 23.1156 -23.6809 -2.43088 -45.5642 -2.87609 -3.424 TIMING: 2612200 CPU: 7871.59, 0.0029762/step Wall: 7871.59, 0.0029762/step, 1.97405 hours remaining, 209.316406 MB of memory in use. ENERGY: 2612200 760.1160 2066.1663 1922.4861 102.5766 -206457.8058 17989.9627 0.0000 0.0000 34081.7825 -149534.7156 297.6447 -183616.4981 -149436.1474 298.5857 -10.6854 21.9714 558032.2874 12.1336 12.0190 LDB: ============= START OF LOAD BALANCING ============== 7875.11 LDB: ============== END OF LOAD BALANCING =============== 7875.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7875.11 LDB: ============= START OF LOAD BALANCING ============== 7875.41 LDB: Largest compute 4794 load 0.024107 is 20.4% of average load 0.118059 LDB: Average compute 0.001726 is 1.5% of average load 0.118059 LDB: TIME 7875.41 LOAD: AVG 0.118059 MAX 0.210404 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 7875.41 LOAD: AVG 0.118059 MAX 0.210404 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.27 MB LDB: TIME 7875.41 LOAD: AVG 0.118059 MAX 0.210404 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.27 MB LDB: ============== END OF LOAD BALANCING =============== 7875.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7875.42 PRESSURE: 2612400 -178.654 -9.24577 98.9103 -9.2464 -205.806 34.9376 98.9117 34.9378 -153.508 GPRESSURE: 2612400 -168.979 -2.6322 168.992 -34.6482 -153.161 -32.1698 -12.6217 56.333 -129.347 PRESSAVG: 2612400 -48.7366 -21.4878 -6.32649 -21.4878 23.8894 3.85974 -6.32661 3.85975 33.1237 GPRESSAVG: 2612400 -48.0878 -21.096 -7.33809 -21.2499 22.9033 4.07979 -6.96685 3.48857 33.5421 TIMING: 2612400 CPU: 7872.2, 0.0030419/step Wall: 7872.2, 0.0030419/step, 2.01746 hours remaining, 208.226562 MB of memory in use. ENERGY: 2612400 776.6401 2068.5305 1933.5751 116.7655 -206095.4242 17541.7749 0.0000 0.0000 34094.5156 -149563.6225 297.7559 -183658.1381 -149468.7541 298.5495 -179.3224 -150.4958 557987.5803 2.7588 2.7859 PRESSURE: 2612600 45.1272 -69.3948 156.705 -69.3965 -408.267 -22.6947 156.705 -22.695 -223.592 GPRESSURE: 2612600 78.0042 -64.1709 180.557 -117.483 -318.257 -65.4725 155.133 -29.5609 -254.519 PRESSAVG: 2612600 -21.9815 -9.11459 -16.9228 -9.11466 5.41585 -13.3501 -16.9228 -13.3501 9.71915 GPRESSAVG: 2612600 -22.9523 -8.43617 -16.8685 -8.98925 6.76406 -11.4272 -16.8573 -14.5106 9.26737 TIMING: 2612600 CPU: 7872.8, 0.0029897/step Wall: 7872.8, 0.0029897/step, 1.98267 hours remaining, 208.429688 MB of memory in use. ENERGY: 2612600 736.3777 2116.4908 1897.5934 104.1686 -205855.5403 17586.7922 0.0000 0.0000 33872.2079 -149541.9097 295.8144 -183414.1176 -149446.2248 297.5785 -195.5774 -164.9240 558146.7657 -2.2822 -2.3070 PRESSURE: 2612800 -295.339 46.9408 -140.491 46.9405 88.7136 -81.9595 -140.493 -81.9604 153.023 GPRESSURE: 2612800 -284.351 53.9744 -139.604 11.1383 153.969 -37.631 -148.467 -112.643 171.824 PRESSAVG: 2612800 -53.6932 -62.91 0.851931 -62.91 65.2499 -23.5178 0.851955 -23.5178 -2.47359 GPRESSAVG: 2612800 -54.0619 -62.9236 1.28111 -61.9872 64.6313 -24.398 1.2482 -23.4991 -1.12007 TIMING: 2612800 CPU: 7873.4, 0.00298715/step Wall: 7873.4, 0.00298715/step, 1.98081 hours remaining, 208.429688 MB of memory in use. ENERGY: 2612800 716.2366 2055.5753 1945.5938 126.2317 -206306.9935 17820.2802 0.0000 0.0000 34188.3004 -149454.7755 298.5749 -183643.0759 -149356.6243 298.4272 -17.8673 13.8143 559668.1158 3.0277 3.1498 PRESSURE: 2613000 2.28327 86.9727 169.968 86.972 19.9372 -32.772 169.97 -32.7718 95.1566 GPRESSURE: 2613000 54.2017 97.8647 232.729 134.589 48.3601 19.7313 107.529 -1.2957 106.937 PRESSAVG: 2613000 49.3444 -12.7282 -23.9942 -12.7282 -7.29739 22.1688 -23.9943 22.1688 -19.7172 GPRESSAVG: 2613000 51.2416 -10.5574 -26.3467 -13.0203 -8.35854 20.3114 -23.4001 23.8312 -20.256 TIMING: 2613000 CPU: 7873.99, 0.00296577/step Wall: 7873.99, 0.00296577/step, 1.96647 hours remaining, 208.429688 MB of memory in use. ENERGY: 2613000 749.1827 2054.4557 1939.0351 112.4573 -206593.5040 17990.7456 0.0000 0.0000 34201.8576 -149545.7700 298.6933 -183747.6276 -149442.7534 298.0320 39.1257 69.8331 557782.7284 7.4433 7.5423 PRESSURE: 2613200 -243.081 -38.5561 27.7776 -38.5555 -381.527 -63.6749 27.7783 -63.6744 -94.8066 GPRESSURE: 2613200 -153.715 -61.3787 -35.6703 -34.2384 -371.83 -44.4421 125.048 -20.2648 -103.34 PRESSAVG: 2613200 36.1892 -32.9572 65.7886 -32.9573 -3.90575 30.4851 65.7886 30.4852 -56.9307 GPRESSAVG: 2613200 35.6736 -34.0679 66.3452 -33.1789 -3.43071 31.5467 66.3373 30.0401 -57.2932 TIMING: 2613200 CPU: 7874.59, 0.00301399/step Wall: 7874.59, 0.00301399/step, 1.99828 hours remaining, 208.429688 MB of memory in use. ENERGY: 2613200 762.9408 2070.1313 1915.8721 104.6294 -206049.7605 17654.5934 0.0000 0.0000 34068.5237 -149473.0699 297.5289 -183541.5936 -149376.3617 297.4972 -239.8049 -209.6282 559418.7169 -8.2157 -8.3501 PRESSURE: 2613400 155.029 11.8865 205.766 11.8877 -41.9442 -176.535 205.767 -176.535 102.825 GPRESSURE: 2613400 202.004 38.9376 213.027 -27.3365 -44.6193 -186.486 152.98 -141.341 154.528 PRESSAVG: 2613400 -18.0408 -58.5028 45.9431 -58.5028 -34.2114 69.2683 45.9432 69.2683 32.9904 GPRESSAVG: 2613400 -19.8764 -60.4229 46.8754 -58.9174 -32.3866 70.7627 47.3406 68.738 32.8021 TIMING: 2613400 CPU: 7875.19, 0.00300373/step Wall: 7875.19, 0.00300373/step, 1.99131 hours remaining, 208.429688 MB of memory in use. ENERGY: 2613400 749.4991 2047.6063 1947.8797 114.6460 -206042.4063 17906.6120 0.0000 0.0000 33922.2558 -149353.9074 296.2515 -183276.1632 -149258.9531 298.5622 71.9699 103.9711 558126.2130 -6.4206 -6.4870 PRESSURE: 2613600 238.972 -155.654 6.9737 -155.653 -100.855 -79.1777 6.97374 -79.1777 -84.8329 GPRESSURE: 2613600 252.791 -90.7353 67.7553 -174.439 -99.0191 -28.3395 -38.4362 -101.982 -0.238363 PRESSAVG: 2613600 8.4068 -36.5784 14.8461 -36.5784 -7.86177 26.3107 14.8462 26.3107 59.7812 GPRESSAVG: 2613600 9.87051 -35.3584 15.2965 -36.3906 -8.80327 23.9569 11.3094 28.1319 58.8956 TIMING: 2613600 CPU: 7875.79, 0.00300314/step Wall: 7875.79, 0.00300314/step, 1.99075 hours remaining, 208.429688 MB of memory in use. ENERGY: 2613600 762.6486 2054.1644 1952.1039 125.8981 -206127.8346 17790.1451 0.0000 0.0000 34133.2534 -149309.6212 298.0942 -183442.8746 -149211.8967 298.7200 17.7613 51.1779 557477.3356 20.1087 19.9876 PRESSURE: 2613800 20.9412 22.0954 -78.5555 22.0964 -248.801 146.348 -78.5559 146.348 -9.47433 GPRESSURE: 2613800 42.9208 1.95737 -72.3146 -40.2443 -175.435 121.274 -65.4249 6.72301 -0.493786 PRESSAVG: 2613800 -5.08386 -22.7791 -25.0837 -22.7791 -0.230354 -18.1957 -25.0837 -18.1959 -27.3434 GPRESSAVG: 2613800 -5.7137 -21.227 -25.2932 -23.1004 -1.1884 -17.9621 -23.1404 -22.1971 -25.7757 TIMING: 2613800 CPU: 7876.39, 0.00297502/step Wall: 7876.39, 0.00297502/step, 1.97194 hours remaining, 208.429688 MB of memory in use. ENERGY: 2613800 740.5080 2072.9827 1953.0846 114.1898 -206140.5767 17624.0566 0.0000 0.0000 34200.3522 -149435.4027 298.6802 -183635.7549 -149339.1446 297.8710 -79.1113 -44.3358 555481.3379 -10.8859 -10.8926 PRESSURE: 2614000 -156.681 -63.0816 -81.036 -63.082 -172.742 95.767 -81.0352 95.7649 -231.38 GPRESSURE: 2614000 -140.737 -119.538 -47.4843 -56.2391 -110.999 148.537 -67.623 68.1204 -222.63 PRESSAVG: 2614000 38.3306 -27.9249 -22.8462 -27.9248 -12.2056 8.78124 -22.8463 8.78125 -41.857 GPRESSAVG: 2614000 37.9255 -28.0626 -22.4019 -27.7322 -10.5534 12.0786 -24.5618 10.2412 -43.5735 TIMING: 2614000 CPU: 7876.98, 0.00297457/step Wall: 7876.98, 0.00297457/step, 1.97148 hours remaining, 208.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2614000 747.7666 1978.2971 1933.1115 108.9879 -206119.3019 17576.4573 0.0000 0.0000 34326.5262 -149448.1554 299.7821 -183774.6816 -149348.8075 298.8649 -186.9341 -158.1221 556991.7145 -5.2440 -5.4005 PRESSURE: 2614200 101.553 74.5922 28.4695 74.5915 57.1754 148.933 28.469 148.933 -44.385 GPRESSURE: 2614200 127.174 90.5274 9.27333 19.3807 52.2623 162.795 145.052 148.412 30.7421 PRESSAVG: 2614200 8.14113 7.59312 -42.2239 7.59314 -19.4443 -15.9203 -42.2238 -15.9203 -20.1639 GPRESSAVG: 2614200 8.76321 7.19036 -42.9808 8.80032 -21.1439 -18.3795 -41.2623 -15.1055 -19.0838 TIMING: 2614200 CPU: 7877.58, 0.00298936/step Wall: 7877.58, 0.00298936/step, 1.98112 hours remaining, 208.632812 MB of memory in use. ENERGY: 2614200 716.8607 2093.2826 1924.4858 116.8708 -206156.0142 17760.3498 0.0000 0.0000 34198.4970 -149345.6675 298.6640 -183544.1646 -149254.2882 299.2270 38.1143 70.0594 556751.6597 -10.4890 -10.4882 PRESSURE: 2614400 -55.8047 208.844 10.9112 208.845 -133.056 113.6 10.9107 113.597 -134.2 GPRESSURE: 2614400 -59.1586 220.259 43.6737 152.711 -76.564 76.5738 87.7617 96.2259 -97.678 PRESSAVG: 2614400 15.6365 19.378 51.8167 19.3781 -63.6686 42.2405 51.8166 42.2406 41.2902 GPRESSAVG: 2614400 16.4111 19.7112 52.1601 17.8862 -63.514 41.1069 52.3124 42.0359 40.0023 TIMING: 2614400 CPU: 7878.17, 0.00296035/step Wall: 7878.17, 0.00296035/step, 1.96172 hours remaining, 208.632812 MB of memory in use. ENERGY: 2614400 734.5088 2073.4796 1949.2537 115.5822 -205843.5924 17554.3270 0.0000 0.0000 34183.3576 -149233.0835 298.5318 -183416.4411 -149138.6062 298.3988 -107.6868 -77.8002 559103.1436 -2.2473 -2.3669 PRESSURE: 2614600 -171.506 -47.4151 63.2233 -47.4155 74.3155 154.198 63.2238 154.199 -120.278 GPRESSURE: 2614600 -179.892 37.3153 101.839 -66.8879 48.5165 261.745 11.8845 95.5912 6.43519 PRESSAVG: 2614600 19.814 6.77391 30.3173 6.77388 -16.5538 20.3864 30.3173 20.3864 18.104 GPRESSAVG: 2614600 18.8292 5.50242 29.9129 8.90235 -17.1108 21.673 29.7822 18.8086 19.4528 TIMING: 2614600 CPU: 7878.77, 0.00297541/step Wall: 7878.77, 0.00297541/step, 1.97154 hours remaining, 208.632812 MB of memory in use. ENERGY: 2614600 714.4867 2102.5748 1948.7092 109.9395 -206279.1886 17934.2476 0.0000 0.0000 34081.1064 -149388.1244 297.6388 -183469.2309 -149294.8136 298.7290 -72.4898 -41.6467 559633.7574 7.1214 7.0570 PRESSURE: 2614800 -248.505 120.744 -56.2491 120.744 7.76545 -118 -56.2484 -118.002 156.017 GPRESSURE: 2614800 -242.955 91.3846 -51.5004 130.71 78.854 -131.576 -136.525 -84.4083 177.232 PRESSAVG: 2614800 -23.8646 18.213 -38.664 18.213 10.817 -65.8418 -38.664 -65.8418 12.2443 GPRESSAVG: 2614800 -24.7454 21.2997 -38.5224 14.8171 11.1143 -69.5074 -38.1437 -64.0582 12.0979 TIMING: 2614800 CPU: 7879.36, 0.00297966/step Wall: 7879.36, 0.00297966/step, 1.97419 hours remaining, 208.632812 MB of memory in use. ENERGY: 2614800 753.5009 2084.0213 1924.3658 120.8473 -206539.1224 18015.4234 0.0000 0.0000 34231.5833 -149409.3805 298.9529 -183640.9638 -149307.7011 298.1636 -28.2408 4.3770 557572.5607 -0.2677 -0.5111 PRESSURE: 2615000 -77.0409 -61.2223 35.7688 -61.2224 -71.3853 62.8649 35.7695 62.8634 79.0258 GPRESSURE: 2615000 -67.1993 -94.5924 8.65071 -70.6024 2.91617 77.8355 -3.22504 -4.91581 85.6199 PRESSAVG: 2615000 -34.1154 24.2516 -2.8768 24.2516 -1.83531 -7.67691 -2.87681 -7.67701 -6.98984 GPRESSAVG: 2615000 -34.0523 22.7793 -2.54738 25.9983 -2.11464 -3.8235 -4.16382 -9.45762 -6.87597 TIMING: 2615000 CPU: 7879.96, 0.00297672/step Wall: 7879.96, 0.00297672/step, 1.97208 hours remaining, 208.632812 MB of memory in use. ENERGY: 2615000 747.2424 2088.7152 1929.8984 112.9675 -206221.6436 17924.3806 0.0000 0.0000 34114.1620 -149304.2775 297.9275 -183418.4395 -149213.9626 298.5637 -23.1335 7.1123 558247.0845 -14.3135 -14.3476 PRESSURE: 2615200 -170.569 -28.7674 65.9401 -28.7679 112.762 -10.1407 65.9418 -10.1422 25.6775 GPRESSURE: 2615200 -122.322 51.7484 126.549 -120.638 115.686 22.7685 41.5608 -27.1343 68.8154 PRESSAVG: 2615200 11.6509 -3.44306 36.2011 -3.44312 -37.9307 6.24524 36.2012 6.24525 36.2381 GPRESSAVG: 2615200 10.9194 -2.66302 35.5456 -2.35868 -37.1776 5.63068 39.2017 7.62688 35.7177 TIMING: 2615200 CPU: 7880.56, 0.00302202/step Wall: 7880.56, 0.00302202/step, 2.00192 hours remaining, 208.632812 MB of memory in use. ENERGY: 2615200 752.7406 2132.9380 1943.3555 128.0542 -206564.4382 17954.2775 0.0000 0.0000 34358.3118 -149294.7606 300.0597 -183653.0724 -149197.3481 298.5760 -10.7099 20.7265 557711.0248 3.3195 3.1531 PRESSURE: 2615400 -40.6682 -89.2594 -323.373 -89.2588 149.421 -47.3387 -323.373 -47.3389 12.4409 GPRESSURE: 2615400 -26.1568 -85.1042 -296.037 -101.496 237.118 -45.1918 -279.784 -51.9724 7.27612 PRESSAVG: 2615400 10.0622 -30.6119 -2.91636 -30.612 -32.8842 28.4242 -2.91638 28.4243 12.1368 GPRESSAVG: 2615400 10.6203 -31.3206 -0.747638 -31.5304 -34.1534 28.8118 -3.82423 27.8347 13.3758 TIMING: 2615400 CPU: 7881.16, 0.00300054/step Wall: 7881.16, 0.00300054/step, 1.98752 hours remaining, 208.632812 MB of memory in use. ENERGY: 2615400 750.5505 2054.3611 1927.2431 109.1091 -206611.5215 18106.1861 0.0000 0.0000 34208.2349 -149455.8367 298.7490 -183664.0717 -149357.3039 298.8320 40.3979 72.7458 558310.7559 -3.5617 -3.3858 PRESSURE: 2615600 -35.1878 85.393 -69.8081 85.3928 -101.321 -41.4622 -69.8097 -41.462 48.2448 GPRESSURE: 2615600 -33.6262 170.189 -45.9885 35.6463 -82.4639 -86.5079 -93.8455 -94.6906 132.425 PRESSAVG: 2615600 -21.8816 -40.9236 -89.8671 -40.9236 -64.9933 -2.61387 -89.8672 -2.61387 79.5485 GPRESSAVG: 2615600 -22.1041 -40.4884 -91.2242 -40.6027 -63.44 -4.26967 -90.1841 -2.42429 78.3279 TIMING: 2615600 CPU: 7881.76, 0.00299569/step Wall: 7881.76, 0.00299569/step, 1.98415 hours remaining, 208.632812 MB of memory in use. ENERGY: 2615600 748.3741 2108.0652 1936.2530 113.8504 -206495.8726 17920.4524 0.0000 0.0000 34291.9852 -149376.8921 299.4804 -183668.8774 -149282.3991 298.7298 -29.4213 5.4449 557350.4342 -2.4422 -2.4054 PRESSURE: 2615800 -41.8133 -98.4034 15.7556 -98.4022 1.80449 -56.5147 15.7554 -56.5141 -86.9631 GPRESSURE: 2615800 -23.4672 -73.6543 -19.5394 -82.6281 37.4739 -91.0845 112.672 -78.6744 -35.6221 PRESSAVG: 2615800 -15.4003 25.1691 0.0445274 25.1691 78.0861 -6.76398 0.0444754 -6.76392 -14.6875 GPRESSAVG: 2615800 -15.1661 24.3712 -0.980688 25.1255 77.2912 -6.30283 1.0102 -7.36848 -14.1271 TIMING: 2615800 CPU: 7882.37, 0.00301992/step Wall: 7882.37, 0.00301992/step, 2.00003 hours remaining, 208.632812 MB of memory in use. ENERGY: 2615800 763.2981 2064.3263 1941.6303 102.9221 -206515.4441 17854.1101 0.0000 0.0000 34455.6489 -149333.5083 300.9098 -183789.1573 -149230.2251 299.6673 -42.3240 -7.2051 557033.9536 15.9995 15.9994 PRESSURE: 2616000 122.527 -45.6731 67.9102 -45.6705 117.803 -173.876 67.9087 -173.876 -287.441 GPRESSURE: 2616000 110.87 5.67391 67.3291 -121.285 200.446 -271.769 68.3372 -112.432 -265.017 PRESSAVG: 2616000 14.2288 25.1309 -31.7907 25.1308 61.9613 -81.0797 -31.7909 -81.0797 -80.8364 GPRESSAVG: 2616000 14.0128 24.4729 -30.0815 25.8177 62.2133 -81.2639 -30.7264 -80.0174 -80.8912 TIMING: 2616000 CPU: 7882.96, 0.00299195/step Wall: 7882.96, 0.00299195/step, 1.98134 hours remaining, 208.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2616000 791.2473 2112.8092 1944.0369 108.6110 -206280.1082 17906.7728 0.0000 0.0000 34159.5864 -149257.0447 298.3242 -183416.6310 -149163.3979 299.3652 -15.7037 15.4331 556855.3957 -1.5487 -1.5550 PRESSURE: 2616200 -143.123 -90.1337 28.639 -90.1336 -188.538 55.2927 28.6403 55.295 -242.377 GPRESSURE: 2616200 -113.498 -95.3891 -54.3007 -70.2593 -115.331 64.9303 17.2278 75.6563 -251.38 PRESSAVG: 2616200 22.0405 22.712 -11.6882 22.712 -5.97676 -31.5966 -11.6882 -31.5966 -26.5464 GPRESSAVG: 2616200 22.8344 20.9615 -11.2881 22.7808 -7.18364 -31.8414 -14.3941 -33.1102 -26.3381 TIMING: 2616200 CPU: 7883.57, 0.00301581/step Wall: 7883.57, 0.00301581/step, 1.99697 hours remaining, 208.632812 MB of memory in use. ENERGY: 2616200 744.1267 2090.5316 1948.4524 129.3414 -206027.3018 17451.6709 0.0000 0.0000 34340.6367 -149322.5420 299.9053 -183663.1787 -149231.8164 298.9655 -191.3460 -160.0698 558341.0671 -3.4942 -3.5624 LDB: ============= START OF LOAD BALANCING ============== 7887.08 LDB: ============== END OF LOAD BALANCING =============== 7887.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7887.09 LDB: ============= START OF LOAD BALANCING ============== 7887.38 LDB: Largest compute 4801 load 0.024417 is 20.7% of average load 0.118069 LDB: Average compute 0.001727 is 1.5% of average load 0.118069 LDB: TIME 7887.39 LOAD: AVG 0.118069 MAX 0.209964 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.258 MB LDB: TIME 7887.39 LOAD: AVG 0.118069 MAX 0.209964 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.316 MB LDB: TIME 7887.39 LOAD: AVG 0.118069 MAX 0.209964 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.316 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7887.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7887.39 PRESSURE: 2616400 -111.699 -0.0134016 -12.671 -0.0129419 41.4089 119.77 -12.6709 119.771 -171.675 GPRESSURE: 2616400 -91.4385 -2.87979 51.0706 0.376898 90.4161 118.064 -49.0937 114.392 -150.891 PRESSAVG: 2616400 8.4811 24.3614 29.9302 24.3614 23.3855 -0.313735 29.9303 -0.313759 -80.5592 GPRESSAVG: 2616400 8.85741 25.1524 29.0999 23.9864 24.9963 1.47535 29.8637 -1.96015 -81.9224 TIMING: 2616400 CPU: 7884.18, 0.00304516/step Wall: 7884.18, 0.00304516/step, 2.01624 hours remaining, 209.828125 MB of memory in use. ENERGY: 2616400 749.4010 2094.6351 1950.2506 116.7252 -206303.6090 17797.7100 0.0000 0.0000 34319.9632 -149274.9237 299.7248 -183594.8869 -149175.2808 299.8906 -80.6549 -50.6380 557959.8912 -16.2309 -16.0229 PRESSURE: 2616600 289.668 113.685 -12.3036 113.684 219.579 50.1612 -12.3033 50.1614 -8.45433 GPRESSURE: 2616600 288.296 115.527 30.0149 126.664 238.576 83.1877 -20.9281 19.7404 70.6739 PRESSAVG: 2616600 37.412 12.5507 44.2719 12.5508 23.3733 -5.24511 44.272 -5.24498 -75.9944 GPRESSAVG: 2616600 37.2594 12.5755 42.9315 13.7563 22.995 -7.57853 43.2982 -1.53202 -75.2546 TIMING: 2616600 CPU: 7884.78, 0.00299072/step Wall: 7884.78, 0.00299072/step, 1.98003 hours remaining, 210.031250 MB of memory in use. ENERGY: 2616600 745.1286 2127.2702 1945.7353 122.3864 -206773.9027 18082.3811 0.0000 0.0000 34408.0861 -149342.9149 300.4944 -183751.0010 -149244.0961 299.8050 166.9306 199.1820 556124.7947 -5.0697 -5.0001 PRESSURE: 2616800 25.6992 110.952 -159.067 110.952 -103.088 32.0678 -159.066 32.0673 -89.5817 GPRESSURE: 2616800 43.0521 173.069 -134.876 34.5794 -60.4386 88.4392 -70.2978 -22.4922 -43.8832 PRESSAVG: 2616800 0.167283 -2.26442 5.68177 -2.26443 4.28165 -12.3658 5.68182 -12.3658 5.02417 GPRESSAVG: 2616800 -1.46477 -1.05282 5.12517 -4.7803 4.67065 -13.6094 8.62136 -14.1552 6.38011 TIMING: 2616800 CPU: 7885.38, 0.00301374/step Wall: 7885.38, 0.00301374/step, 1.99509 hours remaining, 210.031250 MB of memory in use. ENERGY: 2616800 764.5766 2039.5772 1919.4425 110.7502 -206436.4184 17670.6015 0.0000 0.0000 34500.4880 -149430.9825 301.3013 -183931.4704 -149328.6331 299.4541 -55.6569 -20.4232 557704.3449 3.1577 3.1953 PRESSURE: 2617000 -86.4926 -91.8678 -53.8653 -91.8667 -292.348 140.665 -53.8648 140.665 -314.79 GPRESSURE: 2617000 -58.4542 -110.658 -83.9412 -129.926 -217.423 84.8165 -28.4377 169.154 -328.423 PRESSAVG: 2617000 1.87101 -35.4393 -58.2258 -35.4393 -69.7187 38.8878 -58.2258 38.8878 56.3373 GPRESSAVG: 2617000 2.22219 -35.6964 -56.8222 -36.0993 -69.3479 39.8363 -61.5069 39.1871 55.6204 TIMING: 2617000 CPU: 7885.98, 0.00302316/step Wall: 7885.98, 0.00302316/step, 2.00117 hours remaining, 210.031250 MB of memory in use. ENERGY: 2617000 772.1137 2079.7433 1919.7523 127.8480 -206267.2722 17554.5250 0.0000 0.0000 34424.7846 -149388.5052 300.6402 -183813.2898 -149291.8960 297.8856 -231.2102 -201.4333 560579.2881 -3.8368 -3.8351 PRESSURE: 2617200 -192.854 97.3502 46.9754 97.3483 -135.182 80.1583 46.9753 80.1577 -119.966 GPRESSURE: 2617200 -92.1087 147.762 98.4241 51.7562 -155.203 28.8146 43.1852 84.1149 -111.249 PRESSAVG: 2617200 -101.747 -8.49922 -17.4453 -8.49933 0.690112 9.27866 -17.4454 9.27881 81.314 GPRESSAVG: 2617200 -101.317 -9.35697 -18.6003 -7.11767 0.641644 8.30063 -15.5658 9.55488 81.2739 TIMING: 2617200 CPU: 7886.58, 0.00300106/step Wall: 7886.58, 0.00300106/step, 1.98637 hours remaining, 210.031250 MB of memory in use. ENERGY: 2617200 715.5354 2055.4980 1909.7693 113.6060 -205901.4904 17557.5068 0.0000 0.0000 34146.9978 -149402.5772 298.2142 -183549.5750 -149302.4399 298.2671 -149.3340 -119.5201 559788.6493 -6.5809 -6.4670 PRESSURE: 2617400 -314.643 -88.7022 -152.463 -88.7031 -168.699 -172.943 -152.463 -172.942 -25.1473 GPRESSURE: 2617400 -275.103 -158.207 -185.911 -33.4073 -171.766 -163.599 -154.964 -127.354 33.201 PRESSAVG: 2617400 8.14014 -19.0184 -13.0082 -19.0185 -7.8775 -0.493938 -13.0082 -0.493954 31.5459 GPRESSAVG: 2617400 8.78564 -18.8013 -13.1723 -17.3449 -9.15233 0.44025 -10.9792 -1.33942 32.651 TIMING: 2617400 CPU: 7887.18, 0.00297668/step Wall: 7887.18, 0.00297668/step, 1.97006 hours remaining, 210.031250 MB of memory in use. ENERGY: 2617400 739.2099 2042.3423 1940.7200 113.8675 -205886.5716 17449.1304 0.0000 0.0000 34103.0921 -149498.2095 297.8308 -183601.3016 -149403.3838 297.9450 -169.4964 -137.8893 558355.4623 10.6028 10.7614 PRESSURE: 2617600 -2.69462 151.99 72.3123 151.989 86.5055 -290.388 72.312 -290.388 -8.63508 GPRESSURE: 2617600 63.2128 210.279 110.668 105.913 111.765 -329.688 -29.6874 -262.627 10.3153 PRESSAVG: 2617600 -22.4693 5.65599 22.3155 5.6559 -28.4718 -50.4945 22.3155 -50.4945 34.698 GPRESSAVG: 2617600 -22.3489 8.57582 21.8918 2.92821 -27.4969 -51.1944 20.6845 -51.5559 34.4802 TIMING: 2617600 CPU: 7887.77, 0.00298391/step Wall: 7887.77, 0.00298391/step, 1.97468 hours remaining, 210.031250 MB of memory in use. ENERGY: 2617600 743.0172 2126.4363 1910.1986 125.8546 -206672.4937 17902.6542 0.0000 0.0000 34274.0773 -149590.2555 299.3240 -183864.3329 -149495.4580 298.5101 25.0586 61.7642 555935.3537 -5.4144 -5.1219 PRESSURE: 2617800 -157.391 21.5958 33.5791 21.5965 294.001 3.01237 33.5803 3.01254 -146.521 GPRESSURE: 2617800 -110.611 97.7047 27.9478 58.7267 268.025 13.1887 75.3944 -43.7799 -49.89 PRESSAVG: 2617800 -10.2974 -5.58027 16.9483 -5.58025 -2.77016 -55.8245 16.9483 -55.8244 15.399 GPRESSAVG: 2617800 -11.1956 -5.7401 17.5326 -5.85032 -2.47723 -53.2426 17.292 -54.7238 15.9198 TIMING: 2617800 CPU: 7888.38, 0.00300036/step Wall: 7888.38, 0.00300036/step, 1.9854 hours remaining, 210.031250 MB of memory in use. ENERGY: 2617800 711.0662 2059.4520 1917.7235 110.6792 -206360.8667 17775.6799 0.0000 0.0000 34309.9796 -149476.2864 299.6376 -183786.2660 -149374.9727 298.8247 -3.3039 35.8412 558572.2888 0.7771 0.7490 PRESSURE: 2618000 -5.35107 -132.169 71.3874 -132.17 -140.835 -39.7474 71.3864 -39.7457 132.918 GPRESSURE: 2618000 -46.9298 -128.752 20.6058 -174.342 -71.5575 -41.0932 161.585 -29.644 206.286 PRESSAVG: 2618000 -25.6969 -2.32269 -8.65403 -2.3226 -22.892 35.5511 -8.65408 35.5513 38.332 GPRESSAVG: 2618000 -25.6766 -4.43828 -7.04709 0.884214 -22.1445 33.6319 -9.27069 35.9515 37.5244 TIMING: 2618000 CPU: 7888.98, 0.00301167/step Wall: 7888.98, 0.00301167/step, 1.99272 hours remaining, 210.031250 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: 2618000 731.3479 2015.4916 1915.6604 123.1307 -206306.1345 17855.1277 0.0000 0.0000 34185.6376 -149479.7386 298.5517 -183665.3762 -149383.0751 298.8749 -4.4227 29.2662 557506.5187 -3.4189 -3.4322 PRESSURE: 2618200 -19.1298 84.2394 51.6009 84.2409 86.5861 -54.5619 51.6017 -54.5625 -17.442 GPRESSURE: 2618200 20.1927 65.4611 42.2542 102.994 107.297 -3.99287 54.9842 -44.3157 18.0385 PRESSAVG: 2618200 4.80168 4.27493 -32.4473 4.27505 5.94208 -28.0487 -32.4472 -28.0486 -16.5484 GPRESSAVG: 2618200 6.16929 3.95445 -34.9475 2.20441 5.4847 -27.3772 -30.5191 -28.7396 -17.4277 TIMING: 2618200 CPU: 7889.57, 0.00297158/step Wall: 7889.57, 0.00297158/step, 1.96603 hours remaining, 210.031250 MB of memory in use. ENERGY: 2618200 761.0557 2070.1306 1899.0844 115.3694 -206600.7905 17998.2676 0.0000 0.0000 34223.4388 -149533.4439 298.8818 -183756.8827 -149433.2678 298.9213 16.6714 48.5094 557763.5145 -1.9349 -1.9246 PRESSURE: 2618400 -27.3996 -67.7734 -15.8903 -67.7729 -143.085 141.519 -15.8909 141.519 -244.496 GPRESSURE: 2618400 -6.92771 -59.6995 -35.5109 6.96714 -86.8608 223.933 -65.8199 103.13 -220.633 PRESSAVG: 2618400 6.81664 0.248832 -52.4024 0.248767 10.0142 10.6348 -52.4024 10.6347 -65.8744 GPRESSAVG: 2618400 5.86358 2.51372 -48.6839 -0.493867 11.5959 10.3516 -55.1823 11.4175 -65.6787 TIMING: 2618400 CPU: 7890.17, 0.00301003/step Wall: 7890.17, 0.00301003/step, 1.9913 hours remaining, 210.031250 MB of memory in use. ENERGY: 2618400 770.4103 2074.0329 1903.8657 111.6720 -206343.3485 17839.9868 0.0000 0.0000 34190.0105 -149453.3702 298.5899 -183643.3807 -149361.9784 298.4033 -138.3268 -104.8072 559220.1319 -16.3478 -16.0731 PRESSURE: 2618600 116.593 -122.149 91.5007 -122.148 0.686069 31.262 91.499 31.2625 -373.93 GPRESSURE: 2618600 158.071 -191.606 42.4312 1.35869 -8.46805 -22.6696 93.7108 -13.2743 -312.623 PRESSAVG: 2618600 15.5087 7.37614 -10.2771 7.37624 78.8522 -50.8321 -10.2771 -50.8321 -107.559 GPRESSAVG: 2618600 15.2815 4.54404 -8.47096 6.89257 77.1778 -53.0828 -9.62957 -51.7358 -106.294 TIMING: 2618600 CPU: 7890.77, 0.00299012/step Wall: 7890.77, 0.00299012/step, 1.97796 hours remaining, 210.031250 MB of memory in use. ENERGY: 2618600 767.4772 1993.5459 1927.9737 119.6620 -206406.5632 17839.2274 0.0000 0.0000 34306.9258 -149451.7512 299.6109 -183758.6770 -149349.9460 298.3673 -85.5505 -54.3402 557165.4179 -4.3995 -4.6114 PRESSURE: 2618800 -163.698 91.5093 7.29442 91.5094 -246.353 5.77158 7.29349 5.77194 -143.583 GPRESSURE: 2618800 -117.407 36.7061 36.8577 147.164 -258.57 0.53367 133.996 29.4196 -80.2491 PRESSAVG: 2618800 25.3966 -3.40267 9.49502 -3.40263 94.4595 -10.9924 9.49508 -10.9924 -56.5567 GPRESSAVG: 2618800 27.4114 -2.32261 6.89858 -2.80692 93.6882 -7.87171 10.79 -12.1177 -57.8209 TIMING: 2618800 CPU: 7891.37, 0.0029802/step Wall: 7891.37, 0.0029802/step, 1.97124 hours remaining, 210.156250 MB of memory in use. ENERGY: 2618800 731.2997 2046.7513 1918.9313 108.3439 -206180.1000 17689.5802 0.0000 0.0000 34384.8630 -149300.3306 300.2916 -183685.1937 -149209.3112 298.3248 -184.5448 -152.0753 557336.8620 21.0998 21.0929 PRESSURE: 2619000 -267.795 -128.191 58.6738 -128.193 -13.7862 51.91 58.6736 51.9091 31.7878 GPRESSURE: 2619000 -238.413 -76.1371 57.1953 -125.043 15.4668 37.6812 18.1849 66.7267 64.2029 PRESSAVG: 2619000 -65.9205 6.17845 55.7855 6.17851 22.9136 13.8783 55.7855 13.8783 49.1081 GPRESSAVG: 2619000 -66.8854 4.22776 55.1292 8.60949 23.8002 12.5275 54.441 16.0021 49.1604 TIMING: 2619000 CPU: 7891.97, 0.00300191/step Wall: 7891.97, 0.00300191/step, 1.98543 hours remaining, 210.156250 MB of memory in use. ENERGY: 2619000 744.6549 2058.0219 1925.1685 125.6960 -206002.1616 17740.2617 0.0000 0.0000 34108.5367 -149299.8220 297.8783 -183408.3587 -149212.2693 298.9799 -83.2645 -52.9144 558376.0083 2.0337 2.0251 PRESSURE: 2619200 -22.4286 41.0833 36.4918 41.0827 134.337 91.1349 36.4907 91.1342 -223.758 GPRESSURE: 2619200 39.7011 94.9189 9.98784 -49.9869 163.783 121.118 90.7974 30.1448 -215.545 PRESSAVG: 2619200 -76.1677 -17.9167 2.46628 -17.9168 103.718 18.6733 2.46628 18.6733 -61.5087 GPRESSAVG: 2619200 -74.7202 -16.0788 2.93067 -19.7072 103.633 19.0343 3.93483 19.0841 -62.9801 TIMING: 2619200 CPU: 7892.57, 0.00300759/step Wall: 7892.57, 0.00300759/step, 1.98902 hours remaining, 210.156250 MB of memory in use. ENERGY: 2619200 769.3997 2109.5129 1922.5814 117.0732 -206505.5288 17957.4544 0.0000 0.0000 34228.6905 -149400.8166 298.9277 -183629.5071 -149302.9581 298.5608 -37.2834 -4.0205 559041.1326 -11.3196 -11.3558 PRESSURE: 2619400 16.4055 -66.2225 80.5283 -66.2232 -15.956 194.609 80.5274 194.611 221.22 GPRESSURE: 2619400 90.4072 -73.0727 28.4776 -67.6572 -13.6706 226.946 75.8787 172.288 235.248 PRESSAVG: 2619400 -40.6078 36.8758 -59.6027 36.8757 -4.93459 15.6489 -59.6027 15.6491 33.8797 GPRESSAVG: 2619400 -40.9508 37.4295 -60.4344 37.9404 -5.09057 14.773 -60.4894 14.3488 34.8217 TIMING: 2619400 CPU: 7893.17, 0.00300479/step Wall: 7893.17, 0.00300479/step, 1.987 hours remaining, 210.156250 MB of memory in use. ENERGY: 2619400 700.6395 2053.0539 1910.5572 102.9804 -206399.4077 17902.7574 0.0000 0.0000 34518.8434 -149210.5760 301.4616 -183729.4194 -149115.6641 299.2257 73.8897 103.9949 557084.0454 -3.8876 -3.7399 PRESSURE: 2619600 -5.86587 25.8962 -47.7568 25.8956 124.553 -0.765669 -47.7564 -0.766251 53.7921 GPRESSURE: 2619600 45.4905 63.8884 -79.118 -18.1421 134.064 -70.6329 43.7503 62.0138 104.027 PRESSAVG: 2619600 -9.8349 63.22 -8.9801 63.2201 -45.3788 23.0634 -8.98006 23.0633 22.0434 GPRESSAVG: 2619600 -10.0634 62.7544 -7.60519 63.0515 -45.3231 24.2098 -9.41017 22.489 22.2389 TIMING: 2619600 CPU: 7893.78, 0.00304551/step Wall: 7893.78, 0.00304551/step, 2.01376 hours remaining, 210.156250 MB of memory in use. ENERGY: 2619600 751.8450 2078.3357 1911.6987 119.9675 -206151.2878 17793.7614 0.0000 0.0000 34625.9580 -148869.7217 302.3971 -183495.6797 -148776.4668 300.0150 57.4932 94.5273 558221.0390 -11.0568 -11.0492 PRESSURE: 2619800 -81.6902 -59.542 4.78114 -59.5426 -170.197 -67.911 4.78093 -67.9121 50.4065 GPRESSURE: 2619800 -70.3797 73.3327 105.261 -113.174 -128.059 -80.8934 -52.9129 -11.0511 91.0851 PRESSAVG: 2619800 8.20149 45.0973 47.1911 45.0973 -20.7381 34.5969 47.1912 34.5968 54.588 GPRESSAVG: 2619800 8.38876 47.6218 46.4118 42.0877 -20.5798 34.1486 47.5355 35.5331 53.7165 TIMING: 2619800 CPU: 7894.39, 0.00303234/step Wall: 7894.39, 0.00303234/step, 2.00488 hours remaining, 210.156250 MB of memory in use. ENERGY: 2619800 735.7522 2071.3871 1947.0092 114.1569 -205514.5557 17676.8120 0.0000 0.0000 34208.7451 -148760.6934 298.7535 -182969.4384 -148667.7701 300.6154 -67.1602 -35.7845 558333.0419 14.0171 13.8418 PRESSURE: 2620000 -4.62893 96.7251 17.6719 96.7252 -192.7 249.946 17.671 249.947 141.911 GPRESSURE: 2620000 -0.0381431 100.646 2.0006 111.935 -126.555 221.211 -65.481 207.406 179.108 PRESSAVG: 2620000 -5.34163 24.6945 -22.4917 24.6945 -16.0179 41.6145 -22.4916 41.6146 28.1286 GPRESSAVG: 2620000 -4.68344 22.4802 -22.863 26.6263 -15.8467 39.7622 -22.8266 42.4054 27.6863 TIMING: 2620000 CPU: 7894.99, 0.00302188/step Wall: 7894.99, 0.00302188/step, 1.9978 hours remaining, 210.156250 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: 2620000 715.6173 2081.4656 1942.6006 103.8925 -205482.6403 17551.9812 0.0000 0.0000 34343.2312 -148743.8520 299.9280 -183087.0831 -148647.8816 300.3321 -18.4724 17.5051 558719.1877 2.2564 2.3854 PRESSURE: 2620200 -178.772 -25.805 -70.7722 -25.8057 -117.176 -9.85455 -70.7703 -9.85537 -156.022 GPRESSURE: 2620200 -85.9177 -91.2831 1.18904 -32.5921 -77.0066 -43.5078 -115.245 -24.0897 -186.707 PRESSAVG: 2620200 36.3352 16.6118 -3.05133 16.6119 -32.5164 19.086 -3.05132 19.0862 -0.7971 GPRESSAVG: 2620200 36.7521 17.1682 -1.96568 17.3371 -32.9601 19.4147 -4.54847 17.6152 -0.133103 TIMING: 2620200 CPU: 7895.59, 0.00298773/step Wall: 7895.59, 0.00298773/step, 1.97505 hours remaining, 210.156250 MB of memory in use. ENERGY: 2620200 785.2425 2115.4528 1938.0108 109.6286 -205819.1454 17624.7541 0.0000 0.0000 34548.8119 -148697.2447 301.7234 -183246.0566 -148597.3628 300.3914 -150.6566 -116.5439 557923.7349 1.0072 1.2196 LDB: ============= START OF LOAD BALANCING ============== 7899.11 LDB: ============== END OF LOAD BALANCING =============== 7899.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7899.11 LDB: ============= START OF LOAD BALANCING ============== 7899.41 LDB: Largest compute 4801 load 0.025876 is 21.9% of average load 0.118112 LDB: Average compute 0.001723 is 1.5% of average load 0.118112 LDB: TIME 7899.41 LOAD: AVG 0.118112 MAX 0.210757 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.77 MB LDB: TIME 7899.41 LOAD: AVG 0.118112 MAX 0.210757 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.77 MB LDB: TIME 7899.41 LOAD: AVG 0.118112 MAX 0.210757 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.77 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7899.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7899.42 PRESSURE: 2620400 174.831 77.2668 54.1315 77.267 236.779 58.9604 54.1318 58.9609 111.746 GPRESSURE: 2620400 241.214 158.64 93.4755 42.9976 229.338 70.925 56.4658 99.4367 129.844 PRESSAVG: 2620400 22.0828 -5.84904 23.7902 -5.84906 -36.7915 40.0065 23.7902 40.0065 -11.4517 GPRESSAVG: 2620400 20.1545 -4.80531 23.8132 -9.58361 -36.1271 40.0228 24.3441 39.9329 -10.0122 TIMING: 2620400 CPU: 7896.2, 0.00306533/step Wall: 7896.2, 0.00306533/step, 2.02618 hours remaining, 211.000000 MB of memory in use. ENERGY: 2620400 742.8703 2058.8897 1942.4299 119.0473 -206189.7661 18196.2964 0.0000 0.0000 34447.2469 -148682.9857 300.8364 -183130.2325 -148588.1583 300.7703 174.4518 200.1321 558139.8989 -8.7201 -8.6616 PRESSURE: 2620600 -102.893 29.8944 156.244 29.8938 156.815 -106.924 156.243 -106.925 29.1167 GPRESSURE: 2620600 -103.027 75.5215 124.706 139.946 194.806 -60.9874 143.377 -109.511 98.3022 PRESSAVG: 2620600 -64.3088 32.1061 23.3272 32.1061 136.751 -16.4542 23.3272 -16.4541 -23.6317 GPRESSAVG: 2620600 -64.1905 30.2253 21.7727 36.286 138.622 -16.0846 24.4643 -14.6968 -25.6846 TIMING: 2620600 CPU: 7896.8, 0.0029954/step Wall: 7896.8, 0.0029954/step, 1.97979 hours remaining, 211.070312 MB of memory in use. ENERGY: 2620600 747.7265 2060.3425 1901.4405 112.2822 -205988.1401 17903.5547 0.0000 0.0000 34492.5432 -148770.2505 301.2320 -183262.7937 -148672.4771 300.7543 27.6796 63.3602 556911.0718 16.2700 16.2491 PRESSURE: 2620800 36.9946 155.056 16.1226 155.057 61.0463 107.243 16.1226 107.244 -13.8885 GPRESSURE: 2620800 104.22 187.294 53.0992 38.2874 68.9202 135.592 54.788 108.344 1.91508 PRESSAVG: 2620800 -27.6651 35.7554 45.6888 35.7554 39.1616 11.2943 45.6889 11.2943 -14.7683 GPRESSAVG: 2620800 -26.4054 36.3068 45.3806 33.3352 37.2218 14.8975 46.5516 10.222 -13.7193 TIMING: 2620800 CPU: 7897.4, 0.00297588/step Wall: 7897.4, 0.00297588/step, 1.96673 hours remaining, 211.070312 MB of memory in use. ENERGY: 2620800 721.8151 2018.9056 1943.7664 107.0913 -205694.3834 17690.2919 0.0000 0.0000 34386.0127 -148826.5004 300.3016 -183212.5131 -148738.2172 300.4726 28.0508 58.3518 557523.4453 -1.0906 -0.9676 PRESSURE: 2621000 105.654 -142.536 -308.35 -142.536 -16.5907 103.262 -308.352 103.262 5.04667 GPRESSURE: 2621000 125.583 -130.347 -264.357 -109.648 -0.0149566 98.4751 -323.49 52.1846 69.3141 PRESSAVG: 2621000 10.2276 -20.2796 33.1765 -20.2796 50.0223 -20.7279 33.1765 -20.7278 -55.2368 GPRESSAVG: 2621000 10.3346 -21.2587 33.9727 -18.7872 49.4714 -22.6755 32.2234 -20.9545 -54.7682 TIMING: 2621000 CPU: 7897.99, 0.00297529/step Wall: 7897.99, 0.00297529/step, 1.96617 hours remaining, 211.070312 MB of memory in use. ENERGY: 2621000 736.1429 2076.4323 1947.3064 104.0185 -205899.1614 17777.3291 0.0000 0.0000 34376.2903 -148881.6419 300.2167 -183257.9322 -148780.7006 299.8934 31.3700 64.9607 556730.9328 1.6710 1.6793 PRESSURE: 2621200 -5.85567 -5.96403 115.6 -5.96284 -76.2275 56.5348 115.601 56.5363 -396.947 GPRESSURE: 2621200 -10.9724 51.9906 91.9149 -117.613 -10.3724 30.7084 98.0733 13.6836 -377.777 PRESSAVG: 2621200 -52.9499 -8.26747 -8.65892 -8.26745 85.5247 15.6379 -8.65891 15.6379 -45.0532 GPRESSAVG: 2621200 -54.3184 -6.32786 -8.26618 -8.97 86.3825 14.8946 -9.37016 15.4568 -44.6405 TIMING: 2621200 CPU: 7898.59, 0.00297565/step Wall: 7898.59, 0.00297565/step, 1.96624 hours remaining, 211.070312 MB of memory in use. ENERGY: 2621200 741.7051 2104.5827 1912.1463 123.8270 -205621.7349 17706.2398 0.0000 0.0000 34148.4202 -148884.8138 298.2266 -183033.2339 -148794.4150 299.9890 -159.6768 -133.0405 560076.1468 -4.1594 -4.1921 PRESSURE: 2621400 -232.321 191.582 31.8506 191.581 -173.036 63.941 31.8507 63.941 -298.203 GPRESSURE: 2621400 -189.018 185.752 24.0852 169.403 -187.375 5.80006 33.4393 106.556 -233.461 PRESSAVG: 2621400 19.3954 4.42595 30.297 4.42604 -40.2415 16.2539 30.297 16.254 -27.4738 GPRESSAVG: 2621400 18.6572 3.72136 29.6976 5.20999 -39.6118 17.0454 30.3881 15.76 -27.0365 TIMING: 2621400 CPU: 7899.18, 0.00297013/step Wall: 7899.18, 0.00297013/step, 1.96243 hours remaining, 211.273438 MB of memory in use. ENERGY: 2621400 685.6380 2083.6229 1966.6301 119.3615 -205467.2188 17393.6579 0.0000 0.0000 34356.3366 -148861.9717 300.0424 -183218.3083 -148761.3234 299.3212 -234.5200 -203.2845 559376.8666 -16.1066 -15.9970 PRESSURE: 2621600 44.7371 -44.8313 139.629 -44.8321 24.4958 -65.4984 139.629 -65.4982 7.32775 GPRESSURE: 2621600 93.0607 -55.1006 205.986 -33.262 62.1154 -137.159 61.2559 -19.1758 21.2227 PRESSAVG: 2621600 43.5542 -1.22271 68.7297 -1.2227 -26.5996 -6.80621 68.7297 -6.80626 8.97528 GPRESSAVG: 2621600 45.0065 -1.33131 69.1842 -0.0750536 -26.6964 -8.02506 69.0005 -7.71783 7.81124 TIMING: 2621600 CPU: 7899.78, 0.00299441/step Wall: 7899.78, 0.00299441/step, 1.97831 hours remaining, 211.273438 MB of memory in use. ENERGY: 2621600 724.7927 2037.6632 1973.2056 106.6541 -206276.9612 17933.5239 0.0000 0.0000 34502.6889 -148998.4328 301.3206 -183501.1216 -148901.2691 300.0156 25.5202 58.7996 558009.6914 8.6433 8.7071 PRESSURE: 2621800 -214.007 29.2244 -118.051 29.2241 264.743 -57.4583 -118.053 -57.4588 -131.663 GPRESSURE: 2621800 -160.437 34.8832 -117.908 95.0853 271.628 -58.5315 -174.191 -38.1479 -100.961 PRESSAVG: 2621800 27.3657 36.1076 12.0783 36.1076 -18.7157 -6.62616 12.0784 -6.62613 -31.5097 GPRESSAVG: 2621800 27.7078 34.6167 12.0221 36.3022 -18.6156 -6.52043 10.7446 -4.42813 -31.6531 TIMING: 2621800 CPU: 7900.38, 0.00298921/step Wall: 7900.38, 0.00298921/step, 1.9747 hours remaining, 211.273438 MB of memory in use. ENERGY: 2621800 713.1787 2048.1676 1922.7159 115.0340 -206043.3547 17793.3208 0.0000 0.0000 34284.5374 -149166.4003 299.4154 -183450.9376 -149068.0699 299.6722 -26.9754 3.4098 558543.1295 -7.6199 -7.5203 PRESSURE: 2622000 245.421 -118.299 -77.2048 -118.299 -131.366 69.8791 -77.2055 69.88 53.7735 GPRESSURE: 2622000 273.691 -71.0115 -46.1664 -66.3194 -42.9081 78.3831 -83.1684 87.145 35.8211 PRESSAVG: 2622000 44.4082 -57.5465 -45.6502 -57.5465 -21.4977 -21.873 -45.6501 -21.8731 -39.7958 GPRESSAVG: 2622000 43.7952 -56.402 -47.1414 -59.5409 -22.306 -20.7645 -43.3524 -23.3288 -38.9169 TIMING: 2622000 CPU: 7900.97, 0.00296939/step Wall: 7900.97, 0.00296939/step, 1.96145 hours remaining, 211.273438 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: 2622000 792.0003 2007.9364 1933.6546 110.7645 -205968.2430 17771.8674 0.0000 0.0000 34239.7664 -149112.2534 299.0244 -183352.0198 -149021.6143 298.9183 55.9427 88.8679 556587.3558 -5.6284 -5.8092 PRESSURE: 2622200 -178.12 69.6545 -48.4683 69.6547 -338.668 -5.7439 -48.468 -5.74504 -188.266 GPRESSURE: 2622200 -132.336 88.578 -75.4774 153.403 -292.033 -95.467 -25.3573 95.8072 -180.116 PRESSAVG: 2622200 -1.12448 -2.99865 37.5877 -2.99862 42.3291 16.9131 37.5877 16.9131 -15.7136 GPRESSAVG: 2622200 -1.91926 -2.62139 40.296 -2.47761 43.4974 16.5481 36.5179 18.028 -16.323 TIMING: 2622200 CPU: 7901.57, 0.00297645/step Wall: 7901.57, 0.00297645/step, 1.96595 hours remaining, 211.273438 MB of memory in use. ENERGY: 2622200 742.8303 2064.0201 1947.0663 110.0230 -205532.8700 17398.3887 0.0000 0.0000 33945.0964 -149325.4450 296.4510 -183270.5415 -149234.7669 299.5455 -235.0180 -201.4949 556402.2521 8.4970 8.4184 PRESSURE: 2622400 -30.2141 182.813 11.8595 182.813 22.7389 90.0417 11.8598 90.0421 -128.984 GPRESSURE: 2622400 -3.28221 157.523 46.3783 209.308 109.822 116.229 -92.1643 69.5721 -149.249 PRESSAVG: 2622400 49.2868 47.3865 49.6337 47.3865 14.3251 19.245 49.6336 19.2449 -18.8409 GPRESSAVG: 2622400 49.357 45.2309 47.8 50.104 14.482 22.4126 49.6938 18.5503 -18.7725 TIMING: 2622400 CPU: 7902.16, 0.00298072/step Wall: 7902.16, 0.00298072/step, 1.9686 hours remaining, 211.273438 MB of memory in use. ENERGY: 2622400 745.1819 2056.9129 1949.7074 111.4480 -206365.3537 17876.3342 0.0000 0.0000 34308.0917 -149317.6776 299.6211 -183625.7694 -149223.3310 298.7088 -45.4864 -14.2365 558417.1922 14.9237 15.0221 PRESSURE: 2622600 7.71183 -89.6776 95.2783 -89.6778 -175.103 78.7402 95.2786 78.7425 -21.758 GPRESSURE: 2622600 22.4759 -148.27 78.7143 -108.902 -156.887 31.0233 145.419 53.8609 55.7369 PRESSAVG: 2622600 -22.5043 -11.3267 47.9772 -11.3266 21.2911 4.0558 47.9772 4.05579 -27.9874 GPRESSAVG: 2622600 -22.3653 -8.0677 48.5916 -13.3188 20.5294 0.635771 47.3437 5.31426 -27.9053 TIMING: 2622600 CPU: 7902.76, 0.00300879/step Wall: 7902.76, 0.00300879/step, 1.98697 hours remaining, 211.273438 MB of memory in use. ENERGY: 2622600 707.7605 2006.6430 1939.9070 110.9038 -206360.3115 17887.4085 0.0000 0.0000 34105.9285 -149601.7602 297.8556 -183707.6887 -149509.6505 298.0508 -63.0498 -26.2248 557756.0205 -9.7336 -9.9137 PRESSURE: 2622800 5.04216 94.7281 -12.1073 94.7262 -186.81 136.24 -12.1078 136.24 -57.9468 GPRESSURE: 2622800 -4.02325 143.49 16.395 134.084 -123.665 84.9844 -23.2049 174.625 -18.1421 PRESSAVG: 2622800 26.0101 -9.32398 -0.827678 -9.32403 -43.2709 -24.0605 -0.827769 -24.0604 -8.25717 GPRESSAVG: 2622800 25.2192 -10.4959 -0.988947 -9.10322 -42.2465 -23.8873 -1.84463 -24.6041 -8.41999 TIMING: 2622800 CPU: 7903.36, 0.00300636/step Wall: 7903.36, 0.00300636/step, 1.9852 hours remaining, 211.273438 MB of memory in use. ENERGY: 2622800 744.5133 2047.4022 1954.5728 113.1644 -206824.8147 18073.2049 0.0000 0.0000 34329.2978 -149562.6592 299.8063 -183891.9570 -149467.9086 298.1785 -79.9050 -48.6101 558307.2201 -8.5060 -8.4824 PRESSURE: 2623000 150.96 -35.2453 -164.509 -35.2462 77.698 177.887 -164.509 177.886 -11.6371 GPRESSURE: 2623000 208.494 -85.2471 -188.201 -54.1638 140.789 108.868 -179.664 226.015 -38.4074 PRESSAVG: 2623000 37.1631 -51.0347 -33.2045 -51.0346 8.97015 60.3487 -33.2045 60.3487 12.2901 GPRESSAVG: 2623000 37.8099 -51.744 -32.0238 -50.7292 8.62727 59.8466 -31.3536 60.1733 12.0011 TIMING: 2623000 CPU: 7903.97, 0.00301594/step Wall: 7903.97, 0.00301594/step, 1.99136 hours remaining, 211.273438 MB of memory in use. ENERGY: 2623000 707.4829 2042.7151 1949.8225 110.7174 -206624.8629 17962.3590 0.0000 0.0000 34372.6737 -149479.0922 300.1851 -183851.7660 -149386.5131 297.9051 72.3404 103.6252 556100.9868 19.4744 19.4794 PRESSURE: 2623200 -272.362 85.9261 15.1431 85.9255 3.70734 30.7321 15.144 30.7319 -303.732 GPRESSURE: 2623200 -329.564 78.6028 46.0541 109.188 94.3597 19.7127 31.4171 -9.43893 -236.77 PRESSAVG: 2623200 -5.55077 10.7315 -42.9351 10.7314 18.1925 44.7374 -42.9351 44.7373 -96.6522 GPRESSAVG: 2623200 -6.19209 11.6148 -43.8395 10.977 17.7719 44.0093 -43.3997 44.6566 -95.4753 TIMING: 2623200 CPU: 7904.56, 0.00298296/step Wall: 7904.56, 0.00298296/step, 1.96942 hours remaining, 211.273438 MB of memory in use. ENERGY: 2623200 724.7637 2066.1216 1934.7737 103.5759 -205940.2701 17588.0717 0.0000 0.0000 34195.5665 -149327.3970 298.6384 -183522.9635 -149231.4805 298.2415 -190.7958 -157.3247 558763.7075 -28.0035 -27.9652 PRESSURE: 2623400 -7.17265 84.8762 -20.256 84.8756 -278.752 152.321 -20.2568 152.32 -120.87 GPRESSURE: 2623400 43.5514 166.156 -32.0321 65.0136 -207.569 156.787 85.9935 149.795 -146.787 PRESSAVG: 2623400 19.9468 10.1737 -29.0641 10.1736 13.9502 -10.1322 -29.0641 -10.1321 -24.0261 GPRESSAVG: 2623400 21.2383 9.35648 -30.1611 8.30885 13.0735 -7.66787 -27.9695 -8.88382 -24.2269 TIMING: 2623400 CPU: 7905.16, 0.0029974/step Wall: 7905.16, 0.0029974/step, 1.97878 hours remaining, 211.273438 MB of memory in use. ENERGY: 2623400 783.8189 2028.8063 1949.1963 108.3745 -205844.5289 17637.9559 0.0000 0.0000 34105.5384 -149230.8386 297.8521 -183336.3770 -149129.7707 298.5524 -135.5983 -103.6013 558034.8840 3.2903 3.3616 PRESSURE: 2623600 354.648 -24.0483 -6.95001 -24.0496 -23.2373 83.8097 -6.94904 83.81 -55.1785 GPRESSURE: 2623600 388.062 -46.4085 -65.414 20.2244 -27.6871 45.5545 81.4045 25.9093 13.308 PRESSAVG: 2623600 54.8997 5.64024 -10.1756 5.64022 -1.86656 42.7224 -10.1756 42.7224 -54.3928 GPRESSAVG: 2623600 55.709 4.20264 -11.7626 6.76245 -0.710512 41.2746 -9.02559 42.4823 -56.0038 TIMING: 2623600 CPU: 7905.77, 0.00301559/step Wall: 7905.77, 0.00301559/step, 1.99063 hours remaining, 211.273438 MB of memory in use. ENERGY: 2623600 742.0789 2059.6784 1930.5045 102.8133 -206203.1248 17933.0693 0.0000 0.0000 34209.8646 -149225.1157 298.7633 -183434.9803 -149131.3531 299.5577 92.0773 124.5610 557072.4415 -0.4532 -0.3351 PRESSURE: 2623800 5.73724 -5.32233 159.622 -5.32306 -247.717 91.1998 159.622 91.2011 162.652 GPRESSURE: 2623800 1.82392 63.518 113.25 17.2928 -203.857 185.78 165.576 36.2784 198.882 PRESSAVG: 2623800 62.1814 -46.3635 2.91247 -46.3635 5.05698 -30.7907 2.91246 -30.7906 -81.0668 GPRESSAVG: 2623800 61.4007 -44.8335 6.08827 -43.6261 4.45201 -30.0547 -0.129299 -30.0938 -79.6028 TIMING: 2623800 CPU: 7906.37, 0.00299951/step Wall: 7906.37, 0.00299951/step, 1.97984 hours remaining, 211.273438 MB of memory in use. ENERGY: 2623800 716.3918 2054.5161 1930.6840 111.1640 -205938.6585 17481.7533 0.0000 0.0000 34338.0781 -149306.0713 299.8830 -183644.1493 -149209.8742 299.3728 -26.4425 -1.0505 557080.5145 -4.6095 -4.5834 PRESSURE: 2624000 127.315 -40.9799 -102.432 -40.9803 96.2204 -89.7001 -102.432 -89.6993 166.282 GPRESSURE: 2624000 133.675 -12.8472 -100.306 -1.08931 147.851 -182.425 -135.569 -9.88564 190.326 PRESSAVG: 2624000 43.6261 -27.9243 -20.2943 -27.9243 -19.8026 -52.5762 -20.2942 -52.5763 22.501 GPRESSAVG: 2624000 42.1 -28.5891 -19.7547 -30.0269 -18.4732 -54.0706 -19.4776 -54.5618 21.9471 TIMING: 2624000 CPU: 7906.98, 0.00304105/step Wall: 7906.98, 0.00304105/step, 2.00709 hours remaining, 211.273438 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: 2624000 729.7009 2061.9987 1973.0070 121.7072 -206332.3445 17864.8741 0.0000 0.0000 34287.3253 -149293.7312 299.4397 -183581.0565 -149191.2022 299.0231 129.9391 157.2841 557326.1903 15.4415 15.1913 PRESSURE: 2624200 -27.2558 -135.063 -59.6863 -135.063 -68.6129 173.636 -59.6863 173.637 47.2374 GPRESSURE: 2624200 -17.8909 -107.67 -23.8233 -126.23 -51.1798 184.778 15.0035 186.857 117.438 PRESSAVG: 2624200 24.7919 -52.2368 45.1173 -52.2368 5.20506 -22.4047 45.1172 -22.4047 -47.2506 GPRESSAVG: 2624200 26.5547 -51.1828 45.5193 -51.0535 4.07884 -22.1061 43.2205 -21.991 -47.5787 TIMING: 2624200 CPU: 7907.58, 0.0030477/step Wall: 7907.58, 0.0030477/step, 2.01132 hours remaining, 211.273438 MB of memory in use. ENERGY: 2624200 740.2109 2038.9679 1923.5779 106.3096 -206025.6105 17719.8353 0.0000 0.0000 34004.1812 -149492.5277 296.9670 -183496.7089 -149390.3542 298.7043 -16.2104 16.1224 557874.7530 -5.7512 -5.6484 LDB: ============= START OF LOAD BALANCING ============== 7911.1 LDB: ============== END OF LOAD BALANCING =============== 7911.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7911.11 LDB: ============= START OF LOAD BALANCING ============== 7911.41 LDB: Largest compute 4801 load 0.026817 is 22.7% of average load 0.118135 LDB: Average compute 0.001725 is 1.5% of average load 0.118135 LDB: TIME 7911.41 LOAD: AVG 0.118135 MAX 0.212005 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.949 MB LDB: TIME 7911.41 LOAD: AVG 0.118135 MAX 0.212005 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.949 MB LDB: TIME 7911.41 LOAD: AVG 0.118135 MAX 0.212005 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.949 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7911.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7911.42 PRESSURE: 2624400 -104.712 34.673 -164.17 34.6726 111.012 -16.0294 -164.169 -16.0297 138.715 GPRESSURE: 2624400 -53.8868 19.6058 -134.979 19.9321 134.357 2.09557 -168.36 -79.5878 168.738 PRESSAVG: 2624400 -45.202 45.2344 9.67057 45.2344 -20.3019 0.353587 9.67052 0.353599 90.1743 GPRESSAVG: 2624400 -45.3941 43.9689 7.51327 44.2382 -20.0234 -0.445749 12.5108 1.32015 90.5279 TIMING: 2624400 CPU: 7908.2, 0.00308814/step Wall: 7908.2, 0.00308814/step, 2.03783 hours remaining, 208.941406 MB of memory in use. ENERGY: 2624400 719.4986 2047.2486 1912.9687 117.7085 -206220.0592 17897.9754 0.0000 0.0000 34308.3203 -149216.3392 299.6231 -183524.6595 -149118.9978 298.6677 48.3384 83.0692 557986.4495 8.2234 8.3701 PRESSURE: 2624600 260.755 9.99968 64.5815 9.99815 137.105 -64.6199 64.5797 -64.6206 8.09892 GPRESSURE: 2624600 285.367 16.5196 60.3591 -28.3426 183.518 -93.1317 82.8077 -34.8851 30.2636 PRESSAVG: 2624600 -78.9698 4.97517 19.8634 4.9753 -6.7201 -17.9091 19.8633 -17.909 85.3906 GPRESSAVG: 2624600 -77.8214 6.38724 21.4113 5.07972 -8.22339 -16.8516 19.6257 -18.2231 85.9278 TIMING: 2624600 CPU: 7908.8, 0.00298573/step Wall: 7908.8, 0.00298573/step, 1.97009 hours remaining, 209.199219 MB of memory in use. ENERGY: 2624600 742.0288 2122.7969 1957.8189 110.1429 -206587.3226 17964.6349 0.0000 0.0000 34423.7218 -149266.1784 300.6309 -183689.9002 -149165.4550 299.4264 135.3196 166.3826 556646.6514 -0.0998 -0.0390 PRESSURE: 2624800 387.019 170.908 -48.1735 170.909 79.1173 109.937 -48.1729 109.938 247.939 GPRESSURE: 2624800 411.096 199.157 4.61364 184.528 168.303 152.955 -127.316 81.7697 235.15 PRESSAVG: 2624800 -16.5953 5.6958 13.8837 5.6957 38.0859 13.5118 13.8836 13.5118 58.4476 GPRESSAVG: 2624800 -17.4288 5.68716 12.7315 5.89957 40.0904 14.8952 12.6417 15.0649 57.7005 TIMING: 2624800 CPU: 7909.4, 0.00299483/step Wall: 7909.4, 0.00299483/step, 1.97592 hours remaining, 209.199219 MB of memory in use. ENERGY: 2624800 758.6136 2067.1030 1940.3155 121.0454 -206534.0667 18041.6049 0.0000 0.0000 34024.5517 -149580.8326 297.1449 -183605.3843 -149485.0371 299.2793 238.0250 271.5162 554912.4377 26.6460 26.7874 PRESSURE: 2625000 -112.566 -66.9442 46.556 -66.9428 -345.852 89.1402 46.5561 89.1392 -223.667 GPRESSURE: 2625000 -109.74 -51.0065 52.6997 -98.0516 -317.684 31.4715 -20.9185 136.838 -163.829 PRESSAVG: 2625000 1.91698 36.2922 30.0216 36.2922 -36.3184 28.9803 30.0215 28.9802 59.2734 GPRESSAVG: 2625000 2.03332 36.9626 32.5034 36.7657 -35.7197 27.5708 29.3527 26.3075 59.1236 TIMING: 2625000 CPU: 7909.99, 0.00297589/step Wall: 7909.99, 0.00297589/step, 1.96326 hours remaining, 209.269531 MB of memory in use. ENERGY: 2625000 754.5007 2027.1990 1936.8689 114.8253 -206055.2731 17569.6303 0.0000 0.0000 34184.8648 -149467.3841 298.5449 -183652.2489 -149372.3575 298.7027 -227.3616 -197.0845 558453.8692 8.2906 8.4791 PRESSURE: 2625200 -173.681 -4.59645 -23.7739 -4.59865 -122.833 137.281 -23.7744 137.28 -30.2562 GPRESSURE: 2625200 -170.554 -84.4933 83.3537 34.0703 -95.4681 87.2961 -56.9329 153.562 41.5811 PRESSAVG: 2625200 -1.62832 -8.42432 37.3943 -8.42436 -26.9886 -27.4439 37.3942 -27.4438 102.277 GPRESSAVG: 2625200 -1.01914 -9.52989 36.2167 -6.5501 -27.5836 -28.1098 37.6606 -24.0806 102.061 TIMING: 2625200 CPU: 7910.59, 0.00299728/step Wall: 7910.59, 0.00299728/step, 1.97721 hours remaining, 209.269531 MB of memory in use. ENERGY: 2625200 759.3537 2040.8248 1933.5178 115.4254 -206146.6635 17780.7229 0.0000 0.0000 34299.1477 -149217.6711 299.5430 -183516.8188 -149121.0576 298.7476 -108.9233 -74.8136 559549.7801 24.5533 24.4859 PRESSURE: 2625400 12.1271 129.844 -20.1648 129.845 13.3454 159.634 -20.1638 159.634 78.205 GPRESSURE: 2625400 46.0796 121.641 55.9065 101.229 41.5093 130.097 -94.499 149.683 95.0022 PRESSAVG: 2625400 24.9291 39.7657 24.3007 39.7657 -45.7849 14.3298 24.3007 14.3299 10.3563 GPRESSAVG: 2625400 24.7288 39.8844 23.4605 35.9179 -45.8215 13.8693 25.1302 11.761 10.5636 TIMING: 2625400 CPU: 7911.2, 0.00302937/step Wall: 7911.2, 0.00302937/step, 1.99821 hours remaining, 209.269531 MB of memory in use. ENERGY: 2625400 699.1896 2121.7939 1946.5665 120.4654 -206193.3814 17906.0183 0.0000 0.0000 34369.1157 -149030.2319 300.1540 -183399.3476 -148933.0317 299.7931 34.5591 60.8637 561433.4178 -3.4998 -3.5097 PRESSURE: 2625600 -125.031 -85.902 -30.82 -85.9023 101.584 -3.75045 -30.8198 -3.75267 -28.3569 GPRESSURE: 2625600 -64.9604 -153.264 -4.04501 -27.2395 78.7294 -177.158 -74.2053 63.0751 25.7674 PRESSAVG: 2625600 -16.2543 -22.6512 36.815 -22.6512 -37.0024 46.9547 36.815 46.9546 35.1301 GPRESSAVG: 2625600 -16.1479 -23.81 37.357 -22.5919 -37.7252 48.887 36.3943 47.6215 35.4806 TIMING: 2625600 CPU: 7911.8, 0.00300163/step Wall: 7911.8, 0.00300163/step, 1.97974 hours remaining, 209.269531 MB of memory in use. ENERGY: 2625600 736.0013 2116.4126 1962.6428 104.5065 -206043.8737 17728.4457 0.0000 0.0000 34247.9006 -149147.9641 299.0954 -183395.8648 -149051.8576 299.7052 -17.2679 13.1788 559259.3745 -6.0422 -6.1308 PRESSURE: 2625800 77.6072 56.8119 -10.468 56.8115 -44.4552 72.1684 -10.4675 72.1689 -127.737 GPRESSURE: 2625800 85.7656 58.9347 -39.7198 82.0702 -22.1365 118.135 -34.0417 30.1867 -55.419 PRESSAVG: 2625800 -18.3438 -27.1823 37.9919 -27.1823 33.1314 0.761572 37.9919 0.761576 -21.4268 GPRESSAVG: 2625800 -18.0985 -27.8607 38.2005 -25.3327 33.8139 0.487607 37.3336 0.998819 -22.5515 TIMING: 2625800 CPU: 7912.4, 0.00300276/step Wall: 7912.4, 0.00300276/step, 1.98032 hours remaining, 209.269531 MB of memory in use. ENERGY: 2625800 705.2632 2087.6306 1934.6243 116.5938 -206309.6273 17893.4418 0.0000 0.0000 34354.2610 -149217.8126 300.0243 -183572.0735 -149121.2955 298.9313 -31.5282 2.7367 559911.5948 -2.2130 -2.2787 PRESSURE: 2626000 133.763 -34.342 108.495 -34.3421 224.564 -157.801 108.495 -157.799 -65.0661 GPRESSURE: 2626000 164.863 -10.7441 162.984 -23.9569 222.69 -169.835 120.607 -103.53 -1.65676 PRESSAVG: 2626000 81.5976 8.83631 14.5102 8.83632 -77.1231 5.69522 14.5103 5.69519 14.3004 GPRESSAVG: 2626000 81.6744 8.56102 16.0889 9.44414 -78.1166 5.59191 12.6675 5.90135 15.4648 TIMING: 2626000 CPU: 7913, 0.00299241/step Wall: 7913, 0.00299241/step, 1.97333 hours remaining, 209.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2626000 711.7795 2081.0528 1949.8159 127.3302 -206333.8549 17896.9227 0.0000 0.0000 34420.1457 -149146.8080 300.5997 -183566.9537 -149051.0766 299.1950 97.7536 128.6323 558347.5161 6.2583 6.3408 PRESSURE: 2626200 -62.9023 -21.3961 76.5495 -21.3973 95.2268 -50.7028 76.5504 -50.7021 -278.167 GPRESSURE: 2626200 -18.0795 37.831 17.4366 -40.9756 113.598 90.839 44.2634 -82.316 -227.747 PRESSAVG: 2626200 39.1107 8.56433 -11.9238 8.56438 13.5767 -16.4153 -11.9239 -16.4153 -30.7468 GPRESSAVG: 2626200 38.614 11.3027 -11.8903 5.37063 14.2651 -17.2807 -10.5185 -18.0516 -31.2257 TIMING: 2626200 CPU: 7913.6, 0.00299588/step Wall: 7913.6, 0.00299588/step, 1.97545 hours remaining, 209.269531 MB of memory in use. ENERGY: 2626200 710.2560 2141.7702 1938.5844 107.4726 -205880.4408 17586.8430 0.0000 0.0000 34299.2680 -149096.2466 299.5440 -183395.5146 -148995.2704 299.9957 -81.9476 -44.0763 557359.5806 7.3135 7.2178 PRESSURE: 2626400 -271.152 24.0034 50.0172 24.0041 -50.1184 66.3746 50.0173 66.3747 -482.457 GPRESSURE: 2626400 -295.633 -23.2057 41.7192 102.672 -31.7636 80.2915 113.037 54.6949 -373.533 PRESSAVG: 2626400 52.3717 -12.5207 -17.4677 -12.5207 -11.0857 -24.5896 -17.4676 -24.5896 1.79524 GPRESSAVG: 2626400 50.9142 -14.6587 -19.723 -10.7906 -11.8049 -25.4521 -16.189 -24.7701 4.53638 TIMING: 2626400 CPU: 7914.2, 0.00302728/step Wall: 7914.2, 0.00302728/step, 1.99599 hours remaining, 209.269531 MB of memory in use. ENERGY: 2626400 753.9256 2087.5617 1926.1119 116.0197 -206086.4538 17647.2540 0.0000 0.0000 34336.2761 -149219.3049 299.8672 -183555.5809 -149124.4114 299.4563 -267.9092 -233.6431 559663.9254 14.3604 14.5486 PRESSURE: 2626600 113.707 52.8161 -213.506 52.8161 214.515 -94.8504 -213.505 -94.85 72.1298 GPRESSURE: 2626600 120.329 88.656 -199.857 -59.9734 295.695 -141.59 -132.052 -111.292 80.369 PRESSAVG: 2626600 -36.2064 -12.9568 -24.1584 -12.9569 23.3933 -35.0476 -24.1584 -35.0477 10.883 GPRESSAVG: 2626600 -35.5649 -12.9333 -23.8908 -12.8352 24.5712 -35.7289 -25.5722 -32.2958 9.39697 TIMING: 2626600 CPU: 7914.81, 0.00302301/step Wall: 7914.81, 0.00302301/step, 1.993 hours remaining, 209.269531 MB of memory in use. ENERGY: 2626600 706.1159 2044.6137 1945.7385 114.3093 -206018.3716 18055.2191 0.0000 0.0000 33951.8249 -149200.5502 296.5097 -183152.3751 -149105.9889 299.2743 133.4506 165.4641 560335.7213 -0.6434 -0.5322 PRESSURE: 2626800 -204.363 93.1784 5.7401 93.1785 107.493 -67.6265 5.73873 -67.6272 -244.993 GPRESSURE: 2626800 -198.904 52.3586 -50.841 78.6836 137.278 -108.265 50.5275 -103.777 -198.499 PRESSAVG: 2626800 -57.9588 -30.2206 -34.4548 -30.2206 103.177 -56.0288 -34.4549 -56.0287 -55.6528 GPRESSAVG: 2626800 -56.4921 -29.4968 -35.0867 -30.4154 102.036 -54.2735 -33.3833 -59.6456 -56.2217 TIMING: 2626800 CPU: 7915.41, 0.00303202/step Wall: 7915.41, 0.00303202/step, 1.99878 hours remaining, 209.269531 MB of memory in use. ENERGY: 2626800 735.5800 2059.9709 1929.1838 99.8960 -206204.5033 17674.3559 0.0000 0.0000 34516.2084 -149189.3083 301.4386 -183705.5166 -149088.4061 299.5454 -113.9541 -86.7082 559994.3157 -3.4784 -3.5593 PRESSURE: 2627000 295.814 -103.619 -2.7013 -103.618 -79.9908 52.8607 -2.70094 52.8619 210.036 GPRESSURE: 2627000 349.587 -88.0645 36.2854 -4.01382 -42.6061 33.9376 -45.0257 -64.6189 206.816 PRESSAVG: 2627000 -22.3253 -54.2421 -27.716 -54.242 6.0698 -59.1658 -27.7161 -59.1658 32.4959 GPRESSAVG: 2627000 -23.0463 -53.6919 -26.5046 -55.5278 7.42265 -59.8434 -27.2172 -57.1819 31.9057 TIMING: 2627000 CPU: 7916.02, 0.00305007/step Wall: 7916.02, 0.00305007/step, 2.0105 hours remaining, 209.269531 MB of memory in use. ENERGY: 2627000 714.0368 2100.3152 1951.5551 116.0988 -206494.7174 18044.8374 0.0000 0.0000 34355.1076 -149212.7665 300.0317 -183567.8741 -149115.1374 299.1455 141.9533 171.2658 558367.1928 5.4135 5.4273 PRESSURE: 2627200 -140.159 98.268 62.9478 98.2696 -39.3032 -75.3383 62.9472 -75.3393 -161.455 GPRESSURE: 2627200 -107.468 54.2043 113.716 54.4784 -9.22616 -72.5938 142.454 -100.534 -109.161 PRESSAVG: 2627200 4.59934 -20.9635 1.01683 -20.9635 -81.1129 -31.8605 1.01679 -31.8607 62.8661 GPRESSAVG: 2627200 4.82572 -20.7521 0.0774892 -20.1385 -81.0854 -29.877 1.46138 -33.7785 63.1168 TIMING: 2627200 CPU: 7916.64, 0.00306768/step Wall: 7916.64, 0.00306768/step, 2.02194 hours remaining, 209.269531 MB of memory in use. ENERGY: 2627200 767.2027 2023.0362 1957.6015 102.0660 -206029.3900 17891.2037 0.0000 0.0000 34160.0614 -149128.2185 298.3283 -183288.2800 -149038.3631 299.0913 -113.6391 -75.2849 559236.8151 -4.5492 -4.3810 PRESSURE: 2627400 -153.846 141.608 26.0329 141.61 -159.471 -152.678 26.0334 -152.679 -86.3963 GPRESSURE: 2627400 -135.29 120.125 11.9233 124.362 -82.3618 -167.129 18.3117 -159.135 -99.8491 PRESSAVG: 2627400 0.268134 -36.6777 15.4252 -36.6777 -1.46163 -82.0221 15.4252 -82.0222 32.9172 GPRESSAVG: 2627400 -0.0370855 -38.2968 17.062 -37.7193 -1.53631 -84.3822 14.9267 -79.378 33.2077 TIMING: 2627400 CPU: 7917.24, 0.00303302/step Wall: 7917.24, 0.00303302/step, 1.99893 hours remaining, 209.269531 MB of memory in use. ENERGY: 2627400 753.2133 1987.9067 1930.1612 119.3992 -205893.6589 17596.8600 0.0000 0.0000 34362.9586 -149143.1600 300.1003 -183506.1186 -149043.2287 299.5044 -133.2376 -105.8336 558498.6443 10.5746 10.5448 PRESSURE: 2627600 -59.4204 -17.2881 18.8441 -17.2879 151.836 168.221 18.8439 168.221 -85.9799 GPRESSURE: 2627600 -72.041 -40.3974 81.5785 31.6162 168.254 260.079 92.3316 136.366 -3.2736 PRESSAVG: 2627600 -38.5034 0.633385 23.6719 0.633483 11.2357 -23.1342 23.6718 -23.1342 -2.19112 GPRESSAVG: 2627600 -38.6101 1.09963 21.1803 2.04446 10.9377 -20.7899 25.4389 -25.6557 -2.34364 TIMING: 2627600 CPU: 7917.85, 0.00301436/step Wall: 7917.85, 0.00301436/step, 1.98646 hours remaining, 209.269531 MB of memory in use. ENERGY: 2627600 749.9162 2042.2405 1951.3771 109.0942 -206251.5159 17854.5194 0.0000 0.0000 34411.2778 -149133.0907 300.5222 -183544.3685 -149037.8965 299.5639 2.1453 30.9797 558484.5526 -9.8196 -10.0054 PRESSURE: 2627800 -119.685 -150.162 53.8823 -150.162 -334.872 -89.1967 53.8824 -89.1973 -313.042 GPRESSURE: 2627800 -81.9218 -70.6776 -25.4172 -208.106 -266.491 -26.3019 87.6938 -105.041 -318.531 PRESSAVG: 2627800 18.2526 -27.8897 34.1784 -27.8897 -34.5469 1.66445 34.1785 1.66441 -16.1922 GPRESSAVG: 2627800 18.0248 -24.103 36.5149 -28.8768 -35.0267 -0.128239 31.5318 3.65193 -16.3263 TIMING: 2627800 CPU: 7918.45, 0.00301153/step Wall: 7918.45, 0.00301153/step, 1.98443 hours remaining, 209.269531 MB of memory in use. ENERGY: 2627800 721.1247 2099.0302 1940.0617 106.1480 -205451.2067 17277.0825 0.0000 0.0000 34244.4465 -149063.3131 299.0653 -183307.7597 -148973.8506 299.6885 -255.8661 -222.3145 558882.4964 -10.8288 -11.1094 PRESSURE: 2628000 -33.7889 -127.306 28.9356 -127.306 196.096 47.1049 28.9351 47.1052 -210.364 GPRESSURE: 2628000 20.9648 -79.2879 111.249 -81.5364 155.488 9.47607 -46.5915 140.489 -126.417 PRESSAVG: 2628000 46.3972 23.1221 10.3815 23.1222 -53.1339 -20.2317 10.3816 -20.2317 -15.588 GPRESSAVG: 2628000 46.8519 20.0967 11.2105 23.3903 -54.7746 -20.3279 10.6543 -20.2052 -15.0249 TIMING: 2628000 CPU: 7919.05, 0.00299082/step Wall: 7919.05, 0.00299082/step, 1.97062 hours remaining, 209.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2628000 759.5218 2032.8417 1945.3842 118.7620 -206159.0972 17836.4679 0.0000 0.0000 34399.0907 -149067.0288 300.4158 -183466.1196 -148969.0030 299.1751 -16.0188 16.6786 558085.5002 -7.4416 -7.6492 PRESSURE: 2628200 106.846 89.1038 7.21319 89.1033 -268.205 -187.784 7.2126 -187.784 261.452 GPRESSURE: 2628200 145.793 74.0892 60.2061 115.451 -250.529 -31.835 -12.6082 -171.798 295.456 PRESSAVG: 2628200 -11.5237 51.7434 -26.59 51.7435 -39.178 -20.7588 -26.5898 -20.7587 26.3082 GPRESSAVG: 2628200 -11.7769 52.1461 -27.8198 52.4413 -37.9207 -21.3311 -25.2912 -20.0248 24.7279 TIMING: 2628200 CPU: 7919.65, 0.00299255/step Wall: 7919.65, 0.00299255/step, 1.97159 hours remaining, 209.269531 MB of memory in use. ENERGY: 2628200 807.4542 2035.2937 1920.4982 100.0404 -206215.4081 17853.6910 0.0000 0.0000 34435.9351 -149062.4955 300.7376 -183498.4306 -148966.7872 299.8892 33.3643 63.5732 556706.8288 -8.1312 -8.3232 LDB: ============= START OF LOAD BALANCING ============== 7923.16 LDB: ============== END OF LOAD BALANCING =============== 7923.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7923.17 LDB: ============= START OF LOAD BALANCING ============== 7923.47 LDB: Largest compute 4801 load 0.023787 is 20.2% of average load 0.118006 LDB: Average compute 0.001729 is 1.5% of average load 0.118006 LDB: TIME 7923.47 LOAD: AVG 0.118006 MAX 0.209441 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 7923.47 LOAD: AVG 0.118006 MAX 0.209441 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.402 MB LDB: TIME 7923.47 LOAD: AVG 0.118006 MAX 0.209441 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.402 MB LDB: ============== END OF LOAD BALANCING =============== 7923.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7923.47 PRESSURE: 2628400 -125.271 -94.4767 -137.813 -94.4753 12.432 -69.7954 -137.812 -69.7936 -26.6946 GPRESSURE: 2628400 -65.9725 -5.84078 -159.305 -82.0716 -28.0116 -48.7439 -184.821 -105.953 57.2682 PRESSAVG: 2628400 -21.338 36.593 6.24113 36.593 -28.273 -24.7359 6.24115 -24.7358 27.2987 GPRESSAVG: 2628400 -21.3623 36.138 6.70417 35.935 -28.3453 -25.319 6.61314 -25.282 27.9993 TIMING: 2628400 CPU: 7920.26, 0.00305645/step Wall: 7920.26, 0.00305645/step, 2.01352 hours remaining, 210.285156 MB of memory in use. ENERGY: 2628400 737.5322 2075.7696 1914.1289 101.0205 -206337.1279 17844.4333 0.0000 0.0000 34544.2208 -149120.0227 301.6833 -183664.2435 -149020.8280 300.0986 -46.5112 -12.2386 557659.0199 -7.4374 -7.2361 PRESSURE: 2628600 133.712 -19.991 -123.697 -19.9917 139.554 -96.0968 -123.697 -96.098 -105.562 GPRESSURE: 2628600 163.778 -93.7118 -136.399 57.3224 150.186 -67.8303 -103.348 -88.3185 -45.902 PRESSAVG: 2628600 -83.2282 -4.78293 -63.2623 -4.78282 8.03693 -16.14 -63.2624 -16.1401 34.4438 GPRESSAVG: 2628600 -83.3762 -7.12513 -62.1825 -5.30986 9.10448 -15.0814 -65.1029 -15.6541 34.2468 TIMING: 2628600 CPU: 7920.86, 0.00299075/step Wall: 7920.86, 0.00299075/step, 1.97007 hours remaining, 210.390625 MB of memory in use. ENERGY: 2628600 746.9130 2089.6064 1940.0285 108.9625 -205824.9883 17743.8744 0.0000 0.0000 34278.4073 -148917.1962 299.3619 -183195.6035 -148820.7501 299.8559 55.9012 89.3540 557944.2666 -13.5825 -13.3417 PRESSURE: 2628800 -173.069 43.5123 -21.7927 43.5122 -80.2118 -80.7864 -21.7925 -80.7853 -355.983 GPRESSURE: 2628800 -167.01 87.9362 18.7428 -57.7029 -51.6043 -31.9437 -87.8226 -118.473 -291.011 PRESSAVG: 2628800 31.6458 -38.5015 -57.4225 -38.5016 10.2786 -5.04109 -57.4225 -5.04113 -37.7055 GPRESSAVG: 2628800 31.6754 -36.7433 -56.7208 -37.0088 10.3069 -4.48686 -55.2936 -5.52168 -37.471 TIMING: 2628800 CPU: 7921.46, 0.00299919/step Wall: 7921.46, 0.00299919/step, 1.97547 hours remaining, 210.390625 MB of memory in use. ENERGY: 2628800 760.8098 2105.8467 1938.3207 112.5715 -206239.8495 17803.4523 0.0000 0.0000 34441.6670 -149077.1815 300.7876 -183518.8485 -148973.4951 299.4208 -203.0879 -169.8752 558177.8644 1.4063 1.5037 PRESSURE: 2629000 270.206 74.5932 36.1495 74.5927 119.968 -27.7895 36.1496 -27.7913 -97.6056 GPRESSURE: 2629000 314.678 68.6869 18.5673 110.388 123.059 -49.125 68.7618 0.235422 -62.1241 PRESSAVG: 2629000 56.7489 -10.0693 1.35698 -10.0693 -27.4008 -42.4979 1.3569 -42.4979 -59.2099 GPRESSAVG: 2629000 56.9323 -10.8265 0.671699 -8.76131 -27.6104 -44.5536 2.20964 -41.9559 -58.6935 TIMING: 2629000 CPU: 7922.06, 0.00300533/step Wall: 7922.06, 0.00300533/step, 1.97935 hours remaining, 210.390625 MB of memory in use. ENERGY: 2629000 743.3099 2059.4000 1928.7720 114.2197 -206055.2511 17916.1444 0.0000 0.0000 34302.3387 -148991.0664 299.5709 -183293.4051 -148889.0440 299.3813 97.5229 125.2042 556810.0088 -9.9539 -9.7905 PRESSURE: 2629200 10.3379 -23.3486 169.986 -23.3485 -143.133 -3.59344 169.987 -3.59392 67.0219 GPRESSURE: 2629200 -19.617 47.1951 193.411 -108.684 -75.8267 -36.865 87.2889 -79.9975 121.579 PRESSAVG: 2629200 45.0893 -14.4975 64.2744 -14.4977 -63.8159 -38.5838 64.2744 -38.5839 59.6875 GPRESSAVG: 2629200 45.742 -13.1993 63.7913 -17.0668 -63.7182 -36.1104 61.9213 -39.0998 58.4857 TIMING: 2629200 CPU: 7922.66, 0.00303392/step Wall: 7922.66, 0.00303392/step, 1.998 hours remaining, 210.390625 MB of memory in use. ENERGY: 2629200 729.0813 2126.0080 1917.8203 110.8937 -205952.3827 17701.1482 0.0000 0.0000 34299.3908 -149068.0404 299.5451 -183367.4312 -148967.1114 299.8950 -21.9243 8.7116 557431.6681 13.6536 13.5032 PRESSURE: 2629400 15.3944 29.8422 -5.43861 29.8416 -201.779 35.3947 -5.43898 35.3938 194.745 GPRESSURE: 2629400 3.6086 -1.13058 -20.8707 -9.44699 -101.375 -2.68521 59.8997 42.589 197.761 PRESSAVG: 2629400 12.8015 -71.0696 82.0139 -71.0696 -43.5332 -18.5521 82.0139 -18.5521 25.4478 GPRESSAVG: 2629400 12.9132 -73.8684 83.3846 -69.664 -43.9578 -20.2044 81.8869 -19.4192 25.8998 TIMING: 2629400 CPU: 7923.27, 0.00303949/step Wall: 7923.27, 0.00303949/step, 2.00151 hours remaining, 210.390625 MB of memory in use. ENERGY: 2629400 714.5823 2073.7136 1950.6620 108.7318 -205874.6028 17730.0254 0.0000 0.0000 34233.2503 -149063.6375 298.9675 -183296.8877 -148968.8806 299.5894 2.7869 33.3315 557049.4746 -1.7613 -1.7149 PRESSURE: 2629600 -54.7955 -21.2043 -18.0864 -21.2046 279.162 20.8244 -18.0877 20.8241 71.1368 GPRESSURE: 2629600 -53.4669 26.974 39.3666 -31.4289 314.584 -25.696 -82.9604 54.9812 132.204 PRESSAVG: 2629600 -7.01919 -54.8311 47.111 -54.831 -10.9206 -48.0057 47.1111 -48.0057 43.2382 GPRESSAVG: 2629600 -6.62492 -51.1644 45.6217 -54.7629 -10.7811 -45.9073 49.0565 -48.0187 42.3689 TIMING: 2629600 CPU: 7923.87, 0.0029927/step Wall: 7923.87, 0.0029927/step, 1.97052 hours remaining, 210.390625 MB of memory in use. ENERGY: 2629600 727.1504 2079.5242 1949.9998 108.5750 -206157.3539 17926.8001 0.0000 0.0000 34209.7931 -149155.5113 298.7626 -183365.3044 -149057.5372 300.0344 98.5012 131.1071 557539.7138 8.4328 8.3210 PRESSURE: 2629800 -81.8858 -23.8508 142.767 -23.8499 -116.3 138.025 142.768 138.025 -199.314 GPRESSURE: 2629800 -31.609 -73.9556 91.6539 30.0417 -96.2134 142.441 179.877 186.774 -185.614 PRESSAVG: 2629800 30.2246 12.2382 12.0013 12.2383 14.3692 57.2535 12.0012 57.2535 -41.8965 GPRESSAVG: 2629800 29.655 9.53144 11.9555 11.829 14.3164 56.6072 10.9823 58.466 -41.0465 TIMING: 2629800 CPU: 7924.47, 0.00299653/step Wall: 7924.47, 0.00299653/step, 1.97288 hours remaining, 210.390625 MB of memory in use. ENERGY: 2629800 720.3192 2067.1340 1945.2472 119.4093 -205709.2490 17489.8871 0.0000 0.0000 34174.8167 -149192.4356 298.4572 -183367.2523 -149096.8859 298.8588 -132.5001 -104.4788 559572.9748 0.8991 0.9750 PRESSURE: 2630000 21.1262 -11.9232 160.136 -11.9246 -149.067 36.6255 160.135 36.6271 56.29 GPRESSURE: 2630000 28.8878 -23.3497 82.394 -15.5936 -132.048 30.0287 148.773 18.0536 129.395 PRESSAVG: 2630000 -8.19457 15.2937 -5.49179 15.2937 4.60537 -1.28038 -5.49178 -1.28025 -14.7422 GPRESSAVG: 2630000 -7.89939 16.6302 -6.2486 16.3548 4.8474 -1.98951 -6.7982 0.854836 -15.194 TIMING: 2630000 CPU: 7925.06, 0.00297305/step Wall: 7925.06, 0.00297305/step, 1.95726 hours remaining, 210.390625 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: 2630000 731.4789 2080.7048 1917.5278 111.9220 -206383.4730 17916.0134 0.0000 0.0000 34368.1575 -149257.6687 300.1457 -183625.8261 -149164.4125 298.5450 -23.8837 8.7450 558599.9888 -6.1105 -6.0820 PRESSURE: 2630200 -174.043 -6.94653 -14.6243 -6.94755 -142.16 -187.256 -14.6227 -187.255 49.0289 GPRESSURE: 2630200 -146.789 10.6339 -27.1895 -83.6172 -100.624 -225.742 20.5211 -94.2337 62.6515 PRESSAVG: 2630200 -27.9276 8.48124 -14.5558 8.48124 -11.9109 73.6693 -14.5558 73.6694 22.4104 GPRESSAVG: 2630200 -28.5756 8.82753 -13.4918 5.59202 -11.8694 72.6597 -12.5172 70.9481 23.3092 TIMING: 2630200 CPU: 7925.66, 0.0030003/step Wall: 7925.66, 0.0030003/step, 1.97503 hours remaining, 210.652344 MB of memory in use. ENERGY: 2630200 749.4889 2060.2549 1927.9917 122.9419 -206276.2175 17830.1002 0.0000 0.0000 34191.0749 -149394.3651 298.5992 -183585.4400 -149297.3142 298.9427 -89.0580 -61.5872 557473.8224 -5.8094 -5.7119 PRESSURE: 2630400 -33.1795 -49.4013 -23.4324 -49.4016 96.4035 49.6443 -23.4332 49.6446 200.688 GPRESSURE: 2630400 -14.4346 -5.24042 -73.0315 -49.5657 70.6797 -2.76694 -1.80482 16.9007 302.166 PRESSAVG: 2630400 -37.6236 -24.6143 40.3921 -24.6143 6.89274 -29.5434 40.392 -29.5434 20.0904 GPRESSAVG: 2630400 -37.0019 -25.2582 39.6567 -21.7755 7.23598 -29.2567 40.0486 -28.1703 19.3413 TIMING: 2630400 CPU: 7926.26, 0.00299544/step Wall: 7926.26, 0.00299544/step, 1.97167 hours remaining, 210.652344 MB of memory in use. ENERGY: 2630400 737.5108 2062.5130 1893.4968 109.0718 -206487.5222 17963.4281 0.0000 0.0000 34222.8044 -149498.6973 298.8763 -183721.5017 -149397.8330 299.4419 87.9706 119.4705 556472.5932 -3.5468 -3.4749 PRESSURE: 2630600 112.238 -56.6276 -130.758 -56.6278 -109.036 83.0515 -130.757 83.0501 198.05 GPRESSURE: 2630600 105.489 -36.8228 -188.365 -43.6047 -35.0833 111.179 -122.836 49.6664 234.452 PRESSAVG: 2630600 -39.9662 -45.1882 -18.6852 -45.1882 66.9193 -19.3572 -18.6852 -19.3573 6.91143 GPRESSAVG: 2630600 -40.1412 -44.0653 -20.05 -45.187 66.8725 -18.5743 -18.8882 -21.8859 7.42895 TIMING: 2630600 CPU: 7926.87, 0.00301673/step Wall: 7926.87, 0.00301673/step, 1.98551 hours remaining, 210.652344 MB of memory in use. ENERGY: 2630600 784.4375 2061.8868 1953.7535 110.3404 -206204.0177 17746.9993 0.0000 0.0000 34264.9971 -149281.6030 299.2447 -183546.6001 -149191.2164 298.9015 67.0841 101.6192 556273.5411 11.2882 11.3867 PRESSURE: 2630800 -129.901 -207.165 93.5506 -207.165 -178.229 196.767 93.5504 196.768 205.58 GPRESSURE: 2630800 -76.8743 -221.89 65.1487 -167.887 -168.103 197.619 66.1509 208.363 245.389 PRESSAVG: 2630800 -50.3375 -64.5181 -26.587 -64.518 17.5033 9.20766 -26.5869 9.20765 28.6756 GPRESSAVG: 2630800 -49.4631 -65.8679 -24.2127 -64.0362 17.6483 9.59374 -27.7791 8.71864 28.1687 TIMING: 2630800 CPU: 7927.47, 0.00301266/step Wall: 7927.47, 0.00301266/step, 1.98267 hours remaining, 210.652344 MB of memory in use. ENERGY: 2630800 746.9008 2069.0078 1911.1859 106.8288 -206098.0434 17653.0191 0.0000 0.0000 34262.7490 -149348.3519 299.2251 -183611.1009 -149252.4037 299.0220 -34.1833 0.1375 557566.7981 -1.3862 -1.2154 PRESSURE: 2631000 461.778 6.02849 112.58 6.02692 47.23 -13.5383 112.581 -13.5391 -0.18185 GPRESSURE: 2631000 433.55 -28.6455 152.808 -46.9447 144.464 -7.91924 77.966 -46.3412 28.4979 PRESSAVG: 2631000 57.9586 6.14543 -3.94877 6.14552 -11.8149 33.944 -3.94872 33.944 -72.3507 GPRESSAVG: 2631000 56.7457 8.68055 -3.51202 4.67878 -11.7284 34.6642 -3.75243 33.3923 -71.4211 TIMING: 2631000 CPU: 7928.07, 0.00302784/step Wall: 7928.07, 0.00302784/step, 1.99249 hours remaining, 210.652344 MB of memory in use. ENERGY: 2631000 720.2495 2039.4491 1934.5917 118.0310 -206724.1181 18155.7716 0.0000 0.0000 34358.0606 -149397.9645 300.0575 -183756.0251 -149305.4911 298.4090 169.6086 202.1708 557159.7788 -8.7357 -8.8013 PRESSURE: 2631200 -20.2158 -36.7701 9.55206 -36.7711 -114.237 -1.5013 9.55257 -1.49993 207.451 GPRESSURE: 2631200 45.4366 -13.7878 41.9751 -115.455 -85.859 -19.932 83.4337 -59.2795 199.38 PRESSAVG: 2631200 -14.871 40.6368 44.875 40.6368 -9.44387 3.03551 44.875 3.03554 2.06871 GPRESSAVG: 2631200 -12.9253 38.9025 43.935 41.1107 -10.4172 1.38176 45.9432 4.15427 0.822926 TIMING: 2631200 CPU: 7928.68, 0.0030104/step Wall: 7928.68, 0.0030104/step, 1.98085 hours remaining, 210.652344 MB of memory in use. ENERGY: 2631200 727.4140 2054.0637 1948.0533 115.1659 -206580.6737 17963.0468 0.0000 0.0000 34271.1431 -149501.7869 299.2984 -183772.9300 -149400.5452 297.6695 24.3329 52.9860 557354.2298 -7.4154 -7.5065 PRESSURE: 2631400 116.299 41.4749 -35.9433 41.4747 -331.734 -150.758 -35.9424 -150.757 -134.599 GPRESSURE: 2631400 108.185 42.6929 -17.0731 -32.9414 -277.875 -163.061 -90.5518 -128.473 -74.9209 PRESSAVG: 2631400 7.27797 -13.7274 36.8639 -13.7275 5.82401 2.93142 36.8637 2.93141 25.4527 GPRESSAVG: 2631400 5.22342 -13.2052 34.7134 -13.8643 6.20494 3.14903 35.8349 2.93341 27.3932 TIMING: 2631400 CPU: 7929.28, 0.00300047/step Wall: 7929.28, 0.00300047/step, 1.97414 hours remaining, 210.652344 MB of memory in use. ENERGY: 2631400 719.4004 2036.2126 1950.1979 116.1133 -206270.9492 17653.3310 0.0000 0.0000 34322.7054 -149472.9887 299.7487 -183795.6941 -149372.8996 298.2280 -116.6779 -81.5370 557024.0755 12.8516 12.9405 PRESSURE: 2631600 -154.082 59.3135 -12.8835 59.3144 -1.93869 11.6365 -12.8847 11.635 -20.7911 GPRESSURE: 2631600 -150.039 -9.37931 75.2057 129.341 9.67015 33.8052 -36.0418 -32.8159 72.0828 PRESSAVG: 2631600 62.4144 -32.9152 -31.7837 -32.9151 -27.3331 -6.7211 -31.7837 -6.72109 -18.7494 GPRESSAVG: 2631600 63.377 -32.7235 -30.9362 -33.7002 -27.5078 -6.84555 -30.1844 -4.92962 -19.6337 TIMING: 2631600 CPU: 7929.88, 0.00302137/step Wall: 7929.88, 0.00302137/step, 1.98773 hours remaining, 210.652344 MB of memory in use. ENERGY: 2631600 761.4692 2019.6962 1938.0746 116.9044 -206147.6407 17721.6911 0.0000 0.0000 34154.4065 -149435.3986 298.2789 -183589.8051 -149336.2494 298.3142 -58.9371 -22.7619 556069.3241 5.4439 5.4118 PRESSURE: 2631800 -69.7513 -46.3196 -77.5949 -46.3202 35.8449 -43.9814 -77.595 -43.9802 -234.512 GPRESSURE: 2631800 -61.6329 -11.5551 -154.969 -93.8141 22.3579 -108.588 6.66089 -59.9764 -128.851 PRESSAVG: 2631800 43.8885 -53.9579 -33.0759 -53.9579 1.20238 19.5292 -33.0758 19.5292 -16.7302 GPRESSAVG: 2631800 43.3852 -52.7994 -31.9803 -53.5892 0.0709261 21.0859 -35.6413 18.9402 -15.4466 TIMING: 2631800 CPU: 7930.48, 0.0029953/step Wall: 7930.48, 0.0029953/step, 1.97041 hours remaining, 210.652344 MB of memory in use. ENERGY: 2631800 751.1603 2056.6670 1950.5215 110.9674 -206044.5303 17661.0871 0.0000 0.0000 34348.3073 -149165.8197 299.9723 -183514.1270 -149067.8208 298.1686 -89.4727 -56.0421 556436.5572 9.4536 9.3365 PRESSURE: 2632000 245.863 143.772 -248.209 143.772 154.409 52.1273 -248.208 52.126 -1.36363 GPRESSURE: 2632000 246.354 159.641 -187.161 114.603 185.089 13.4459 -228.913 133.543 64.6833 PRESSAVG: 2632000 40.2409 -15.2713 -30.2452 -15.2714 19.9025 -3.41955 -30.2452 -3.41957 -26.5552 GPRESSAVG: 2632000 40.8726 -17.8336 -31.076 -12.9868 19.7308 -2.78905 -28.615 -4.14721 -26.6663 TIMING: 2632000 CPU: 7931.08, 0.00299665/step Wall: 7931.08, 0.00299665/step, 1.97113 hours remaining, 210.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2632000 726.3952 2092.6100 1919.3983 128.7463 -205959.3003 17930.9219 0.0000 0.0000 34131.8896 -149029.3389 298.0823 -183161.2286 -148936.5214 299.0961 132.9697 165.3754 556685.3321 11.1961 11.3124 PRESSURE: 2632200 -11.3682 9.97218 26.3082 9.97088 104.033 34.4018 26.3073 34.4025 -23.6725 GPRESSURE: 2632200 -12.4649 163.509 76.5603 -55.5798 123.677 65.9011 4.90289 23.8321 48.3674 PRESSAVG: 2632200 -33.2592 20.4315 -39.8452 20.4315 -5.94697 -39.1094 -39.8452 -39.1092 26.9264 GPRESSAVG: 2632200 -33.3816 22.6753 -38.433 17.8817 -4.76967 -39.4174 -40.8577 -38.9304 26.296 TIMING: 2632200 CPU: 7931.68, 0.00298264/step Wall: 7931.68, 0.00298264/step, 1.96175 hours remaining, 210.863281 MB of memory in use. ENERGY: 2632200 732.7353 2038.0671 1949.3068 112.5444 -205921.4942 17648.4655 0.0000 0.0000 34313.3678 -149127.0071 299.6672 -183440.3749 -149027.2078 299.3811 22.9974 53.1932 558681.8156 -4.0933 -3.9518 LDB: ============= START OF LOAD BALANCING ============== 7935.19 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7935.19 LDB: =============== DONE WITH MIGRATION ================ 7935.19 LDB: ============= START OF LOAD BALANCING ============== 7935.49 LDB: Largest compute 4801 load 0.024344 is 20.6% of average load 0.118271 LDB: Average compute 0.001719 is 1.5% of average load 0.118271 LDB: TIME 7935.49 LOAD: AVG 0.118271 MAX 0.209245 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 213.273 MB LDB: TIME 7935.49 LOAD: AVG 0.118271 MAX 0.209245 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 213.344 MB LDB: TIME 7935.49 LOAD: AVG 0.118271 MAX 0.209245 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 213.344 MB LDB: ============== END OF LOAD BALANCING =============== 7935.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7935.5 PRESSURE: 2632400 -60.8743 148.675 -173.696 148.676 76.1335 -47.1942 -173.697 -47.1942 -246.222 GPRESSURE: 2632400 -17.8681 115.135 -119.634 95.0102 58.0349 -96.3635 -268.034 -34.8594 -178.543 PRESSAVG: 2632400 27.7427 9.10057 -15.5002 9.1006 40.1764 30.818 -15.5002 30.8179 -15.8076 GPRESSAVG: 2632400 28.2921 8.37235 -15.4508 8.95773 40.7789 30.5485 -14.5135 31.4709 -16.2485 TIMING: 2632400 CPU: 7932.28, 0.00303562/step Wall: 7932.28, 0.00303562/step, 1.99643 hours remaining, 209.453125 MB of memory in use. ENERGY: 2632400 733.8890 2024.6244 1946.9438 118.1711 -206124.9594 17737.5751 0.0000 0.0000 34490.6344 -149073.1216 301.2153 -183563.7560 -148975.1899 299.8912 -76.9875 -46.1255 558120.6980 17.3705 17.6075 PRESSURE: 2632600 -123.398 -50.6459 108.877 -50.6456 90.6247 100.235 108.878 100.235 217.439 GPRESSURE: 2632600 -75.1783 -19.2356 192.306 -31.2257 121.717 83.0651 53.8327 82.4946 227.695 PRESSAVG: 2632600 -42.9021 25.7846 -4.68668 25.7846 83.6067 13.8361 -4.68658 13.836 -31.7397 GPRESSAVG: 2632600 -43.1176 25.5879 -6.30531 27.3116 82.699 14.2907 -4.54727 14.3964 -30.5846 TIMING: 2632600 CPU: 7932.88, 0.00297774/step Wall: 7932.88, 0.00297774/step, 1.9582 hours remaining, 209.859375 MB of memory in use. ENERGY: 2632600 736.3060 2061.0486 1950.4567 105.6657 -206103.1028 17905.2975 0.0000 0.0000 34238.3662 -149105.9621 299.0122 -183344.3283 -149013.6180 299.5437 61.5552 91.4110 557361.9125 2.9883 2.9989 PRESSURE: 2632800 217.699 -28.5766 -47.6982 -28.577 95.5314 99.1412 -47.6953 99.1408 -13.3158 GPRESSURE: 2632800 215.975 36.8518 43.3221 -64.9709 102.249 78.4481 36.6502 132.023 76.4882 PRESSAVG: 2632800 -21.6935 -7.97925 -84.6343 -7.97928 46.2569 27.1921 -84.6343 27.1921 -5.74915 GPRESSAVG: 2632800 -20.8635 -8.04501 -83.3905 -9.35401 46.345 27.5315 -82.8469 26.1519 -6.11266 TIMING: 2632800 CPU: 7933.47, 0.00296399/step Wall: 7933.47, 0.00296399/step, 1.94899 hours remaining, 209.859375 MB of memory in use. ENERGY: 2632800 759.1992 1989.4647 1975.1310 105.9951 -206341.4407 17974.8685 0.0000 0.0000 34414.4737 -149122.3085 300.5502 -183536.7822 -149030.7774 298.9556 99.9715 131.5709 558052.8850 6.2714 6.4563 PRESSURE: 2633000 112.052 -50.9572 83.2543 -50.9567 -142.045 87.673 83.2553 87.6731 -90.6703 GPRESSURE: 2633000 151.802 -29.5566 133.328 -54.2176 -152.018 60.6789 62.697 2.55253 -29.3389 PRESSAVG: 2633000 -51.7167 -23.5507 -31.9345 -23.5507 26.1062 3.16163 -31.9345 3.1616 -12.4036 GPRESSAVG: 2633000 -50.8691 -24.4399 -32.5275 -22.7416 26.3573 0.439751 -33.3146 4.63156 -13.1931 TIMING: 2633000 CPU: 7934.07, 0.0029817/step Wall: 7934.07, 0.0029817/step, 1.96047 hours remaining, 209.859375 MB of memory in use. ENERGY: 2633000 726.3540 2075.8980 1945.3515 118.5344 -205855.8039 17687.5849 0.0000 0.0000 34356.7446 -148945.3366 300.0460 -183302.0812 -148845.2183 299.8745 -40.2208 -9.8516 559672.4151 -12.6714 -12.5683 PRESSURE: 2633200 62.0373 -103.523 -97.8956 -103.523 154.268 56.4928 -97.896 56.4933 42.464 GPRESSURE: 2633200 75.7404 -64.1336 -134.533 -74.3153 198.243 57.8517 -154.446 1.12372 86.2204 PRESSAVG: 2633200 20.4552 -49.6715 -4.7267 -49.6715 -17.9623 -3.98513 -4.72673 -3.9852 25.7567 GPRESSAVG: 2633200 18.0903 -47.7545 -2.53484 -49.9355 -16.5894 -3.65499 -5.48141 -4.19961 26.2875 TIMING: 2633200 CPU: 7934.66, 0.00297225/step Wall: 7934.66, 0.00297225/step, 1.95409 hours remaining, 209.859375 MB of memory in use. ENERGY: 2633200 722.0380 2083.8128 1925.0214 113.1336 -206092.5020 17872.4750 0.0000 0.0000 34367.2759 -149008.7452 300.1380 -183376.0211 -148901.3596 300.3500 86.2563 120.0678 558968.0496 9.4166 9.2628 PRESSURE: 2633400 179.143 -28.4176 -88.2175 -28.418 164.624 -20.1709 -88.2183 -20.171 9.60317 GPRESSURE: 2633400 209.128 -8.42709 -76.7568 4.68021 160.058 -25.8042 -146.122 -32.5331 70.6695 PRESSAVG: 2633400 -13.7784 32.9555 -20.2527 32.9555 -42.1744 28.0414 -20.2527 28.0413 55.8809 GPRESSAVG: 2633400 -13.0699 31.3731 -22.3766 33.9079 -43.3854 27.535 -19.5723 27.1661 56.4996 TIMING: 2633400 CPU: 7935.26, 0.00299033/step Wall: 7935.26, 0.00299033/step, 1.96581 hours remaining, 209.859375 MB of memory in use. ENERGY: 2633400 723.1308 2080.0205 1958.9998 95.6576 -206022.1421 17772.1115 0.0000 0.0000 34483.0568 -148909.1652 301.1491 -183392.2220 -148813.8163 300.7398 117.7901 146.6184 557113.6010 -0.0240 0.0148 PRESSURE: 2633600 -91.8816 -62.6451 185.327 -62.6456 196.018 -94.8207 185.328 -94.8187 -83.5764 GPRESSURE: 2633600 -40.1753 -31.8682 139.517 -115.97 220.079 -112.517 125.647 -93.8787 -70.1854 PRESSAVG: 2633600 -4.56952 36.3985 -18.9265 36.3984 59.5935 -38.5951 -18.9264 -38.5952 -20.251 GPRESSAVG: 2633600 -4.30306 36.3594 -17.7331 34.4401 60.176 -38.199 -19.8269 -37.8248 -21.6088 TIMING: 2633600 CPU: 7935.86, 0.00301548/step Wall: 7935.86, 0.00301548/step, 1.98217 hours remaining, 209.859375 MB of memory in use. ENERGY: 2633600 778.9608 2079.1837 1931.0681 108.3343 -206016.5471 17843.7315 0.0000 0.0000 34448.9748 -148826.2938 300.8515 -183275.2687 -148734.2691 300.7297 6.8532 36.5726 557113.2386 11.5910 11.4214 PRESSURE: 2633800 -18.7479 44.7527 84.6006 44.7514 148.563 -36.1141 84.6001 -36.1146 -51.0641 GPRESSURE: 2633800 -4.85327 50.5132 98.5127 36.7765 188.756 -43.3165 152.303 -13.1746 4.41175 PRESSAVG: 2633800 -24.727 14.4724 6.1433 14.4725 51.0971 6.67291 6.14328 6.67295 -20.5725 GPRESSAVG: 2633800 -24.6628 16.7946 4.22087 14.8052 50.4778 8.57782 7.04473 7.64311 -19.6496 TIMING: 2633800 CPU: 7936.46, 0.00300059/step Wall: 7936.46, 0.00300059/step, 1.97222 hours remaining, 209.859375 MB of memory in use. ENERGY: 2633800 775.2257 2049.5516 1942.8366 109.3409 -206263.2043 17885.3244 0.0000 0.0000 34543.2469 -148957.6782 301.6748 -183500.9251 -148867.1649 300.0009 26.2503 62.7716 557283.9245 1.9325 2.0551 PRESSURE: 2634000 -214.986 -186.487 39.8185 -186.487 -224.926 -10.2656 39.8185 -10.2667 84.7461 GPRESSURE: 2634000 -149.624 -145.533 100.567 -135.769 -154.341 -40.7524 -8.4245 31.0974 34.1125 PRESSAVG: 2634000 7.24379 -18.5791 59.3695 -18.5792 27.4992 34.4984 59.3694 34.4983 -8.58942 GPRESSAVG: 2634000 7.43215 -19.4023 61.1161 -18.6271 28.5491 33.3772 59.447 31.3051 -9.60972 TIMING: 2634000 CPU: 7937.06, 0.0030003/step Wall: 7937.06, 0.0030003/step, 1.97186 hours remaining, 209.859375 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: 2634000 751.0452 2100.3608 1930.8768 114.9750 -205956.3687 17734.6653 0.0000 0.0000 34529.5946 -148794.8509 301.5555 -183324.4455 -148695.6774 300.4881 -118.3887 -89.9508 558607.4322 8.7179 8.7905 PRESSURE: 2634200 -374.378 123.013 -106.732 123.013 354.947 -193.748 -106.732 -193.749 40.8541 GPRESSURE: 2634200 -240.998 197.401 -97.3796 69.6138 346.023 -195.918 -34.2239 -199.691 23.2536 PRESSAVG: 2634200 -61.858 -22.2066 28.5548 -22.2066 24.9732 -41.2849 28.5547 -41.285 -6.9206 GPRESSAVG: 2634200 -60.6212 -22.675 29.1904 -22.1924 23.4573 -41.6946 27.6178 -40.0787 -6.18569 TIMING: 2634200 CPU: 7937.67, 0.00301067/step Wall: 7937.67, 0.00301067/step, 1.97851 hours remaining, 209.859375 MB of memory in use. ENERGY: 2634200 748.0007 2059.5808 1937.1926 108.3196 -206132.3791 17797.8449 0.0000 0.0000 34538.9445 -148942.4960 301.6372 -183481.4405 -148839.6991 300.7351 7.1409 42.7594 558228.9036 -14.6018 -14.4499 PRESSURE: 2634400 -165.13 -16.993 -167.854 -16.9925 253.069 -103.659 -167.854 -103.658 -0.233116 GPRESSURE: 2634400 -84.694 -86.8328 -136.993 33.4479 290.63 -62.3881 -130.785 -110.071 -24.8489 PRESSAVG: 2634400 -14.3796 11.1528 4.99149 11.153 64.6209 -23.8659 4.99138 -23.866 -17.8043 GPRESSAVG: 2634400 -14.47 10.6674 3.13369 11.6785 64.7514 -24.0148 6.52349 -23.3416 -17.3842 TIMING: 2634400 CPU: 7938.26, 0.00298227/step Wall: 7938.26, 0.00298227/step, 1.95969 hours remaining, 209.859375 MB of memory in use. ENERGY: 2634400 734.5179 2069.8526 1944.6490 116.4035 -205965.6992 17878.0058 0.0000 0.0000 34257.9485 -148964.3219 299.1832 -183222.2704 -148869.5773 300.1617 29.2351 60.3625 557348.9243 10.8124 10.9657 PRESSURE: 2634600 -15.0513 318.177 -92.3511 318.177 -81.4887 -108.128 -92.3501 -108.129 -54.0378 GPRESSURE: 2634600 -0.0832738 344.034 -82.7361 194.683 -40.0331 -153.568 -56.6241 -10.538 0.40026 PRESSAVG: 2634600 32.3586 15.9092 2.10226 15.9092 22.5823 -35.9505 2.10229 -35.9505 -83.8325 GPRESSAVG: 2634600 31.5793 18.0804 3.16923 14.1401 23.8949 -33.9795 0.492701 -37.4192 -84.2685 TIMING: 2634600 CPU: 7938.86, 0.00299126/step Wall: 7938.86, 0.00299126/step, 1.96542 hours remaining, 209.859375 MB of memory in use. ENERGY: 2634600 768.2046 2104.5220 1945.8759 108.7791 -206159.2108 17820.4488 0.0000 0.0000 34408.3033 -149003.0771 300.4963 -183411.3803 -148910.3734 300.2325 -50.1926 -13.2387 559242.9250 -9.6305 -9.5981 PRESSURE: 2634800 -29.6879 -33.2676 -60.8425 -33.268 101.212 -7.78637 -60.8431 -7.78611 74.9181 GPRESSURE: 2634800 -28.3044 45.9817 -104.725 -116.849 60.9747 23.2421 -103.135 17.8152 213.488 PRESSAVG: 2634800 48.037 28.4214 -4.31075 28.4214 1.73406 -28.2893 -4.31079 -28.2892 -34.0186 GPRESSAVG: 2634800 48.6282 28.2653 -4.6061 29.0113 0.116869 -30.9188 -2.79518 -25.2063 -33.5984 TIMING: 2634800 CPU: 7939.46, 0.00300308/step Wall: 7939.46, 0.00300308/step, 1.97302 hours remaining, 209.859375 MB of memory in use. ENERGY: 2634800 737.9095 2037.2004 1970.5241 115.3975 -205985.9924 17875.0195 0.0000 0.0000 34131.9977 -149117.9435 298.0832 -183249.9412 -149020.7000 299.9048 48.8140 82.0526 558749.7891 5.2508 5.0489 PRESSURE: 2635000 -51.1219 -143.692 79.1491 -143.691 81.0808 60.3499 79.1486 60.3496 -379.456 GPRESSURE: 2635000 19.8193 -98.0758 118.743 -91.0303 127.214 112.229 78.4975 40.7135 -398.976 PRESSAVG: 2635000 -2.60016 18.5703 -14.6907 18.5703 27.317 -6.34717 -14.6907 -6.34711 -12.5167 GPRESSAVG: 2635000 -2.54383 17.1471 -16.5632 19.1799 27.3729 -5.01713 -15.2683 -7.86518 -12.8385 TIMING: 2635000 CPU: 7940.06, 0.0030014/step Wall: 7940.06, 0.0030014/step, 1.97175 hours remaining, 209.859375 MB of memory in use. ENERGY: 2635000 704.7221 2049.9268 1946.4802 118.0262 -206160.5774 17768.2351 0.0000 0.0000 34459.3421 -149113.8449 300.9420 -183573.1869 -149015.0094 299.2504 -116.4991 -83.9811 559170.0534 4.0667 3.9969 PRESSURE: 2635200 40.8334 -2.20352 4.77392 -2.20334 155.173 -95.9047 4.7736 -95.904 3.69937 GPRESSURE: 2635200 56.0008 89.3845 -10.5753 53.9593 157.055 -121.496 41.8609 -166.198 84.4008 PRESSAVG: 2635200 -9.72372 -7.11227 -0.98746 -7.11232 39.6991 -28.7265 -0.987324 -28.7264 -29.5065 GPRESSAVG: 2635200 -10.4635 -8.39935 1.04038 -6.44708 39.4124 -30.179 -1.76098 -27.3802 -28.8422 TIMING: 2635200 CPU: 7940.66, 0.00298999/step Wall: 7940.66, 0.00298999/step, 1.96409 hours remaining, 209.859375 MB of memory in use. ENERGY: 2635200 718.3597 2099.5919 1945.1639 106.8903 -206207.2661 17933.1021 0.0000 0.0000 34245.3644 -149158.7938 299.0733 -183404.1582 -149070.2538 299.5287 66.5687 99.1521 556840.3340 0.1563 0.0356 PRESSURE: 2635400 -45.5963 196.537 -56.9565 196.536 118.375 -78.5479 -56.9559 -78.5466 245.663 GPRESSURE: 2635400 7.36496 96.2155 -134.928 313.329 171.169 -48.1243 26.6765 -25.7883 241.369 PRESSAVG: 2635400 -42.1507 -38.3293 -6.64331 -38.3293 17.318 15.9651 -6.64328 15.965 19.7404 GPRESSAVG: 2635400 -41.9141 -38.7351 -7.87117 -37.6737 17.8819 16.8303 -5.09596 12.6271 18.0018 TIMING: 2635400 CPU: 7941.26, 0.0029965/step Wall: 7941.26, 0.0029965/step, 1.9682 hours remaining, 209.859375 MB of memory in use. ENERGY: 2635400 727.6072 2033.9989 1920.1578 131.2896 -206094.0996 17975.4664 0.0000 0.0000 34107.5162 -149198.0635 297.8694 -183305.5797 -149099.6075 298.8008 106.1474 139.9675 556242.1775 -1.6974 -2.0101 PRESSURE: 2635600 46.3512 -37.7607 -167.274 -37.7607 -210.381 56.195 -167.273 56.1957 -73.3751 GPRESSURE: 2635600 55.8134 -81.9073 -199.919 -24.9795 -129.833 111.722 -108.731 -6.66825 -63.737 PRESSAVG: 2635600 68.0553 18.6522 -30.3348 18.6522 -35.13 42.4513 -30.3348 42.4513 -30.0356 GPRESSAVG: 2635600 67.066 19.9046 -30.3368 18.4008 -35.0405 42.2737 -30.3254 44.0269 -29.3947 TIMING: 2635600 CPU: 7941.85, 0.00296638/step Wall: 7941.85, 0.00296638/step, 1.94825 hours remaining, 209.859375 MB of memory in use. ENERGY: 2635600 739.5393 2101.0564 1939.2862 102.2242 -205704.5844 17607.0355 0.0000 0.0000 34224.5983 -148990.8445 298.8919 -183215.4428 -148902.6713 299.3394 -79.1351 -45.9188 556339.3374 0.9632 0.8769 PRESSURE: 2635800 13.6933 -113.012 43.7035 -113.012 -358.865 -126.97 43.7032 -126.97 -222.552 GPRESSURE: 2635800 -24.6525 -187.557 88.3831 -55.4964 -300.604 -207.255 6.28594 -72.8831 -137.098 PRESSAVG: 2635800 11.4682 24.5648 -12.8589 24.5649 -10.013 14.4122 -12.8589 14.4123 -42.3559 GPRESSAVG: 2635800 11.7734 25.509 -13.273 23.9829 -10.3847 14.0062 -14.6885 15.237 -42.0804 TIMING: 2635800 CPU: 7942.45, 0.00298585/step Wall: 7942.45, 0.00298585/step, 1.96087 hours remaining, 209.859375 MB of memory in use. ENERGY: 2635800 785.7115 2050.8828 1927.2199 100.9801 -205778.7715 17624.6203 0.0000 0.0000 34339.8833 -148949.4736 299.8987 -183289.3569 -148856.2518 299.1243 -189.2412 -154.1183 557437.8155 -13.6336 -13.5639 PRESSURE: 2636000 52.1363 215.243 -24.695 215.244 24.0701 87.2201 -24.6956 87.2186 129.119 GPRESSURE: 2636000 48.3205 278.609 -22.7892 139.139 78.9552 189.948 58.0667 36.4272 165.113 PRESSAVG: 2636000 4.71712 27.1073 -68.7834 27.1074 0.982633 -8.11887 -68.7835 -8.11877 35.0184 GPRESSAVG: 2636000 5.16519 26.7503 -68.4068 27.4694 1.0924 -8.72698 -67.5173 -8.28919 34.4676 TIMING: 2636000 CPU: 7943.05, 0.00300352/step Wall: 7943.05, 0.00300352/step, 1.97231 hours remaining, 209.859375 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: 2636000 741.0256 2096.4524 1939.8332 118.4704 -206336.0927 18002.0427 0.0000 0.0000 34320.9156 -149117.3528 299.7331 -183438.2684 -149015.2058 300.0822 68.4420 97.4630 557295.9185 13.5727 13.5751 PRESSURE: 2636200 268.372 90.756 99.1193 90.7547 166.917 85.732 99.1202 85.7324 -195.339 GPRESSURE: 2636200 282.643 80.715 132.71 82.4179 189.16 0.295729 67.0991 123.988 -141.514 PRESSAVG: 2636200 54.6614 67.8808 -13.6173 67.8809 -60.1934 -36.6999 -13.6172 -36.6999 -45.5968 GPRESSAVG: 2636200 54.8385 68.1852 -13.168 66.2147 -60.6903 -37.7949 -12.4266 -34.628 -45.3142 TIMING: 2636200 CPU: 7943.66, 0.00303827/step Wall: 7943.66, 0.00303827/step, 1.99496 hours remaining, 209.859375 MB of memory in use. ENERGY: 2636200 773.7472 2029.7403 1927.2598 106.7480 -206353.2094 17962.8965 0.0000 0.0000 34335.3221 -149217.4955 299.8589 -183552.8176 -149118.0416 299.8598 79.9836 110.0963 557197.6871 -17.0429 -17.0553 LDB: ============= START OF LOAD BALANCING ============== 7947.17 LDB: ============== END OF LOAD BALANCING =============== 7947.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7947.18 LDB: ============= START OF LOAD BALANCING ============== 7947.48 LDB: Largest compute 4801 load 0.024345 is 20.6% of average load 0.118088 LDB: Average compute 0.001727 is 1.5% of average load 0.118088 LDB: TIME 7947.48 LOAD: AVG 0.118088 MAX 0.211067 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.918 MB LDB: TIME 7947.48 LOAD: AVG 0.118088 MAX 0.211067 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.922 MB LDB: TIME 7947.48 LOAD: AVG 0.118088 MAX 0.211067 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.922 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7947.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7947.49 PRESSURE: 2636400 -28.9036 -19.0155 58.8877 -19.0172 -93.8537 -147.861 58.888 -147.862 -218.02 GPRESSURE: 2636400 -42.7364 -10.719 139.257 2.97859 -47.4674 0.853274 -35.9197 -192.337 -150.477 PRESSAVG: 2636400 22.6992 13.3476 25.4177 13.3476 12.5953 -34.443 25.4177 -34.4431 -31.446 GPRESSAVG: 2636400 21.1289 14.1844 25.1644 13.4009 12.7186 -31.4589 25.5223 -37.8102 -29.9736 TIMING: 2636400 CPU: 7944.27, 0.00306045/step Wall: 7944.27, 0.00306045/step, 2.00936 hours remaining, 210.539062 MB of memory in use. ENERGY: 2636400 723.1327 2074.8573 1929.7270 122.1314 -205627.7973 17518.2518 0.0000 0.0000 34191.8659 -149067.8312 298.6061 -183259.6971 -148968.5820 298.9455 -113.5924 -80.2271 559698.0182 1.2828 1.2913 PRESSURE: 2636600 -88.5051 -53.4511 -15.1403 -53.4513 -48.5252 65.545 -15.1407 65.5458 -91.0358 GPRESSURE: 2636600 -40.3028 -11.3155 33.5687 -49.2284 26.5169 51.8508 19.4806 -7.85792 -114.809 PRESSAVG: 2636600 -24.6971 -24.575 -23.0152 -24.5749 -27.03 -27.2446 -23.0153 -27.2444 16.7486 GPRESSAVG: 2636600 -24.8241 -23.6559 -22.7434 -24.5358 -25.9334 -28.2787 -25.0643 -26.4288 15.6434 TIMING: 2636600 CPU: 7944.88, 0.00303864/step Wall: 7944.88, 0.00303864/step, 1.99487 hours remaining, 210.609375 MB of memory in use. ENERGY: 2636600 737.7288 2052.0881 1955.5884 121.5926 -205782.5265 17674.9646 0.0000 0.0000 34260.1779 -148980.3861 299.2027 -183240.5640 -148886.1189 299.7951 -76.0220 -42.8650 558752.0100 -11.6595 -11.7047 PRESSURE: 2636800 -216.293 -87.6797 62.4855 -87.6798 -516.345 25.0124 62.4855 25.01 28.2649 GPRESSURE: 2636800 -191.09 -42.7328 172.053 -59.5428 -456.084 -7.81782 -20.3477 151.311 46.9237 PRESSAVG: 2636800 -20.5579 -46.8042 -34.6179 -46.8042 -12.8248 -29.395 -34.618 -29.3949 36.6062 GPRESSAVG: 2636800 -18.854 -48.6348 -35.1021 -45.8943 -12.7466 -29.5851 -32.8119 -28.0832 34.6848 TIMING: 2636800 CPU: 7945.48, 0.00299706/step Wall: 7945.48, 0.00299706/step, 1.9674 hours remaining, 210.609375 MB of memory in use. ENERGY: 2636800 749.9551 2074.8934 1947.1842 122.1880 -205884.3698 17596.3295 0.0000 0.0000 34352.6994 -149041.1201 300.0107 -183393.8196 -148943.3144 299.2171 -234.7912 -200.0835 559013.7965 1.0745 1.0281 PRESSURE: 2637000 -136.548 85.2229 3.61365 85.2216 -77.5 135.149 3.61211 135.15 -244.572 GPRESSURE: 2637000 -113.444 152.973 -40.429 102.838 -103.01 78.5459 24.5294 159.906 -150.481 PRESSAVG: 2637000 43.1793 1.21432 -21.2448 1.21425 -10.0516 -0.975662 -21.2448 -0.975652 -17.309 GPRESSAVG: 2637000 41.7526 1.76455 -21.4074 -0.252204 -10.4254 -1.10245 -22.8549 -1.28816 -15.4513 TIMING: 2637000 CPU: 7946.08, 0.00300679/step Wall: 7946.08, 0.00300679/step, 1.97363 hours remaining, 210.609375 MB of memory in use. ENERGY: 2637000 751.0797 2111.0733 1916.3052 111.3807 -206134.3390 17756.5227 0.0000 0.0000 34578.7059 -148909.2716 301.9844 -183487.9774 -148807.5510 299.2226 -152.8733 -122.3115 560308.6794 5.2729 5.2920 PRESSURE: 2637200 -178.193 22.4886 73.5684 22.4875 -236.533 -1.27382 73.5688 -1.27377 -324.506 GPRESSURE: 2637200 -153.495 47.1639 88.8287 -58.7687 -206.025 51.6943 142.231 -40.5864 -288.767 PRESSAVG: 2637200 23.4522 -10.0728 74.9338 -10.0727 -5.05983 -18.1458 74.9339 -18.1459 -35.8081 GPRESSAVG: 2637200 25.182 -10.6206 77.269 -8.71223 -5.88683 -18.6468 74.842 -18.3704 -36.4012 TIMING: 2637200 CPU: 7946.68, 0.0030035/step Wall: 7946.68, 0.0030035/step, 1.9713 hours remaining, 210.609375 MB of memory in use. ENERGY: 2637200 732.6803 2049.4084 1930.7464 114.3943 -205709.0004 17594.2586 0.0000 0.0000 34179.4291 -149108.0833 298.4975 -183287.5124 -149005.3500 299.5713 -246.4105 -216.0956 560669.5084 -5.8052 -5.7020 PRESSURE: 2637400 -258.414 132.218 -87.898 132.218 -65.2922 -196.452 -87.8981 -196.45 -76.8515 GPRESSURE: 2637400 -249.849 127.86 -168.711 140.463 -52.9401 -102.919 -86.6225 -287.148 9.52987 PRESSAVG: 2637400 29.9712 36.8732 52.6748 36.8731 6.97463 -34.0961 52.6748 -34.096 -15.5896 GPRESSAVG: 2637400 28.4004 36.1661 50.863 36.8796 8.47459 -34.0074 52.9035 -32.8977 -15.2805 TIMING: 2637400 CPU: 7947.28, 0.00300336/step Wall: 7947.28, 0.00300336/step, 1.97104 hours remaining, 210.609375 MB of memory in use. ENERGY: 2637400 762.9065 2106.7705 1950.8387 115.4240 -205872.0363 17795.1412 0.0000 0.0000 34093.3107 -149047.6446 297.7454 -183140.9554 -148950.9345 299.0516 -133.5193 -97.7529 560865.1717 7.1187 7.1982 PRESSURE: 2637600 -3.2692 22.6657 -95.2431 22.6677 -15.5076 -123.05 -95.2433 -123.049 -133.384 GPRESSURE: 2637600 56.2649 39.9327 -72.7255 -32.2575 -36.2276 -82.5974 -109.952 -159.937 -71.7176 PRESSAVG: 2637600 9.61122 25.1574 -33.2312 25.1573 2.99019 -48.6246 -33.2312 -48.6246 -10.5292 GPRESSAVG: 2637600 10.0025 25.2425 -32.3621 27.2218 2.1249 -47.096 -32.2216 -50.7314 -9.03131 TIMING: 2637600 CPU: 7947.89, 0.00303417/step Wall: 7947.89, 0.00303417/step, 1.99109 hours remaining, 210.753906 MB of memory in use. ENERGY: 2637600 690.0768 2090.1400 1948.3020 113.5341 -206074.1138 17812.5954 0.0000 0.0000 34318.3281 -149101.1375 299.7105 -183419.4656 -149003.5438 299.3514 -50.7204 -17.2268 559900.3302 0.6907 1.0320 PRESSURE: 2637800 -267.195 63.533 13.081 63.5331 95.4655 135.145 13.0808 135.147 -101.668 GPRESSURE: 2637800 -221.162 -36.8686 24.607 87.5041 132.698 169.356 -38.9661 48.8754 -76.5429 PRESSAVG: 2637800 -14.6528 46.4685 -4.89117 46.4685 -38.3861 -53.7026 -4.89111 -53.7026 23.3891 GPRESSAVG: 2637800 -14.2433 46.6835 -3.72496 45.6528 -37.6444 -56.6812 -6.76712 -51.8634 22.2436 TIMING: 2637800 CPU: 7948.49, 0.0030447/step Wall: 7948.49, 0.0030447/step, 1.99783 hours remaining, 210.957031 MB of memory in use. ENERGY: 2637800 711.5158 2102.8828 1895.9434 104.1646 -205926.3846 17734.5713 0.0000 0.0000 34109.6458 -149267.6610 297.8880 -183377.3067 -149172.5161 298.9445 -91.1325 -55.0021 559391.4132 -9.8833 -9.8813 PRESSURE: 2638000 -100.671 -10.14 103.935 -10.1405 -230.128 -52.3933 103.936 -52.3942 114.133 GPRESSURE: 2638000 -97.5191 43.8714 62.6423 -15.006 -174.84 32.5053 84.011 -72.84 149.482 PRESSAVG: 2638000 -42.3977 77.4354 20.5148 77.4355 -30.3018 50.9978 20.5149 50.9978 52.1068 GPRESSAVG: 2638000 -43.5308 76.6937 20.4006 78.8129 -29.5088 53.7652 21.9089 48.2302 52.5997 TIMING: 2638000 CPU: 7949.1, 0.00303175/step Wall: 7949.1, 0.00303175/step, 1.98917 hours remaining, 210.957031 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: 2638000 734.2235 2086.6786 1949.8142 106.6504 -206081.9843 17731.4611 0.0000 0.0000 34295.9669 -149177.1896 299.5152 -183473.1564 -149080.7197 299.4107 -72.2220 -40.9593 557835.6454 -6.8642 -6.8133 PRESSURE: 2638200 -30.3954 -179.046 26.6457 -179.047 138.423 -210.082 26.6457 -210.083 104.404 GPRESSURE: 2638200 35.7985 -152.342 2.00706 -223.079 186.525 -289.703 31.5346 -194.687 90.3485 PRESSAVG: 2638200 -22.3802 5.02882 -25.4588 5.02881 2.99979 -3.92814 -25.4588 -3.92823 -8.37925 GPRESSAVG: 2638200 -21.3881 4.58087 -25.6954 3.54933 2.33908 -5.24358 -24.7587 -2.23564 -9.19006 TIMING: 2638200 CPU: 7949.7, 0.00300171/step Wall: 7949.7, 0.00300171/step, 1.96929 hours remaining, 210.957031 MB of memory in use. ENERGY: 2638200 719.2824 2042.4446 1929.4439 121.7470 -206176.8661 17821.7207 0.0000 0.0000 34366.3614 -149175.8662 300.1300 -183542.2276 -149078.9202 299.3082 70.8106 104.2239 557595.6715 -9.2532 -9.4130 PRESSURE: 2638400 102.618 -161.774 -96.2817 -161.774 13.7176 122.103 -96.2834 122.101 -238.244 GPRESSURE: 2638400 117.648 -154.682 -63.5203 -137.229 76.8041 102.877 -35.7492 135.935 -214.104 PRESSAVG: 2638400 -0.266417 -61.3917 3.30162 -61.3916 -43.0963 -37.291 3.30157 -37.291 41.9573 GPRESSAVG: 2638400 -1.03371 -61.2616 2.25166 -60.755 -42.9232 -36.4336 3.16815 -36.1661 42.1351 TIMING: 2638400 CPU: 7950.3, 0.0029966/step Wall: 7950.3, 0.0029966/step, 1.96577 hours remaining, 210.957031 MB of memory in use. ENERGY: 2638400 730.7573 2097.0384 1899.0495 114.3402 -206457.2375 17979.7620 0.0000 0.0000 34506.8817 -149129.4084 301.3572 -183636.2901 -149027.1814 299.9279 -40.6359 -6.5508 558151.1190 -0.4685 -0.6073 PRESSURE: 2638600 6.18651 -3.50072 -116.439 -3.50062 -279.602 -50.8166 -116.438 -50.8153 33.5706 GPRESSURE: 2638600 12.2499 59.5261 -111.601 -11.5739 -252.784 33.9295 -116.22 -53.6331 95.9974 PRESSAVG: 2638600 -43.2498 -2.25537 35.8852 -2.25539 3.01096 -13.9753 35.8851 -13.9753 34.9191 GPRESSAVG: 2638600 -43.2716 -2.2568 36.1985 -2.406 2.48866 -16.0492 34.6629 -14.1625 35.1942 TIMING: 2638600 CPU: 7950.9, 0.00300079/step Wall: 7950.9, 0.00300079/step, 1.96835 hours remaining, 210.957031 MB of memory in use. ENERGY: 2638600 774.2581 2049.2538 1924.5316 112.5077 -205715.1056 17650.9279 0.0000 0.0000 34190.9208 -149012.7057 298.5978 -183203.6265 -148920.3427 299.2249 -79.9482 -48.1788 557778.7283 -1.7732 -1.8629 PRESSURE: 2638800 -233.28 -176.209 -57.8799 -176.208 18.4843 -18.3995 -57.879 -18.3997 -487.808 GPRESSURE: 2638800 -218.586 -175.499 -47.2412 -107.569 41.4184 -136.651 -58.3413 -1.10876 -413.942 PRESSAVG: 2638800 -27.4673 -59.2282 -60.1358 -59.2281 -21.4656 -7.05682 -60.1357 -7.0567 30.8152 GPRESSAVG: 2638800 -27.7134 -56.5267 -60.4103 -57.9395 -20.3813 -5.00437 -59.4535 -8.3478 30.0991 TIMING: 2638800 CPU: 7951.5, 0.00300768/step Wall: 7951.5, 0.00300768/step, 1.9727 hours remaining, 210.957031 MB of memory in use. ENERGY: 2638800 766.0351 2059.7121 1914.2051 106.9541 -205234.9702 17305.1331 0.0000 0.0000 34273.3023 -148809.6284 299.3173 -183082.9307 -148713.6966 300.2328 -234.2014 -197.0363 558465.1761 -6.0392 -5.9986 PRESSURE: 2639000 -27.3067 -198.946 -142.887 -198.945 -106.812 -113.162 -142.887 -113.162 68.2206 GPRESSURE: 2639000 50.6231 -77.5462 -164.143 -175.06 -61.5162 -22.5828 -91.4787 -122.292 50.9999 PRESSAVG: 2639000 13.4484 -32.0715 39.3898 -32.0714 4.83141 62.6744 39.3898 62.6744 -14.9892 GPRESSAVG: 2639000 13.7055 -30.8487 39.6681 -33.101 5.40722 62.8217 38.9881 63.1306 -15.026 TIMING: 2639000 CPU: 7952.11, 0.00304697/step Wall: 7952.11, 0.00304697/step, 1.99831 hours remaining, 210.957031 MB of memory in use. ENERGY: 2639000 815.1353 2022.4124 1933.9004 108.9135 -206098.7724 17912.6785 0.0000 0.0000 34342.2146 -148963.5177 299.9191 -183305.7323 -148871.4188 300.6331 -21.9660 13.3689 557175.5492 1.0969 1.3622 PRESSURE: 2639200 123.868 32.4414 -45.8226 32.4418 302.152 0.635163 -45.8229 0.63478 53.9622 GPRESSURE: 2639200 128.381 20.9269 -47.0993 42.7751 362.277 54.1813 -44.3067 22.7977 66.2941 PRESSAVG: 2639200 17.5874 38.3049 -26.6176 38.3049 22.9457 -16.8143 -26.6177 -16.8144 -27.5628 GPRESSAVG: 2639200 17.4592 36.5356 -26.8211 37.0189 23.4646 -17.5716 -24.8352 -15.9227 -27.8496 TIMING: 2639200 CPU: 7952.72, 0.00302358/step Wall: 7952.72, 0.00302359/step, 1.9828 hours remaining, 210.957031 MB of memory in use. ENERGY: 2639200 732.4526 2100.9461 1912.2402 123.1955 -206139.5118 17941.8276 0.0000 0.0000 34389.1143 -148939.7354 300.3287 -183328.8497 -148849.4194 299.8917 159.9942 185.6507 556458.2379 4.3235 4.3581 PRESSURE: 2639400 16.3045 5.6985 -20.6838 5.69779 144.414 -42.3691 -20.6832 -42.369 64.3632 GPRESSURE: 2639400 117.616 23.5422 -34.048 84.3326 126.989 -104.248 45.7644 -34.0302 81.5882 PRESSAVG: 2639400 58.4255 1.12135 40.6791 1.12128 58.4886 13.9004 40.679 13.9005 -85.8863 GPRESSAVG: 2639400 58.2878 -1.13659 40.1066 2.46094 59.3023 16.6249 39.4643 12.1352 -85.8124 TIMING: 2639400 CPU: 7953.32, 0.00302559/step Wall: 7953.32, 0.00302559/step, 1.98394 hours remaining, 210.957031 MB of memory in use. ENERGY: 2639400 722.5476 2065.1711 1947.0952 119.7352 -206033.0545 17851.3333 0.0000 0.0000 34402.9891 -148924.1830 300.4499 -183327.1721 -148833.7568 299.8801 75.0272 108.7311 557318.3134 10.3426 10.5926 PRESSURE: 2639600 -34.1864 -229.955 -15.7829 -229.953 -43.039 105.353 -15.7843 105.353 -225.911 GPRESSURE: 2639600 33.646 -220.351 -64.8148 -202.182 -24.6097 59.0377 66.3111 92.4087 -211.55 PRESSAVG: 2639600 1.07883 -54.1411 5.35272 -54.1412 26.7744 3.4244 5.35271 3.4243 -1.9475 GPRESSAVG: 2639600 1.7562 -52.5633 7.89328 -56.7821 24.2739 1.83206 5.65355 3.50871 -0.426399 TIMING: 2639600 CPU: 7953.92, 0.00300478/step Wall: 7953.92, 0.00300478/step, 1.97013 hours remaining, 210.957031 MB of memory in use. ENERGY: 2639600 770.1214 2063.2624 1922.4878 110.6701 -205600.8354 17513.8220 0.0000 0.0000 34266.1075 -148954.3643 299.2544 -183220.4718 -148847.6616 300.0500 -101.0455 -67.5045 557631.2733 8.6352 8.5346 PRESSURE: 2639800 15.6823 -6.82855 40.0905 -6.8292 -139.497 128.652 40.0906 128.653 -30.5882 GPRESSURE: 2639800 83.9023 -62.9588 71.2849 49.8255 -114.134 79.4639 60.5725 157.919 -27.0916 PRESSAVG: 2639800 42.3137 9.18808 39.1333 9.18803 32.6958 48.6251 39.1333 48.6252 -50.9089 GPRESSAVG: 2639800 42.1253 7.55574 36.0869 12.7047 33.6307 48.1534 39.1152 48.213 -52.0434 TIMING: 2639800 CPU: 7954.52, 0.00299331/step Wall: 7954.52, 0.00299331/step, 1.96245 hours remaining, 210.957031 MB of memory in use. ENERGY: 2639800 749.3600 2108.7459 1933.1979 108.7865 -205904.4796 17755.1438 0.0000 0.0000 34231.7456 -149017.4999 298.9543 -183249.2455 -148926.6782 299.8866 -51.4678 -19.1079 556815.4301 8.0335 7.9042 PRESSURE: 2640000 -275.585 -125.32 12.0777 -125.321 -37.8509 -35.3647 12.0754 -35.3645 -521.394 GPRESSURE: 2640000 -263.843 -46.5331 -49.1937 -165.909 -4.19058 -22.2625 52.6272 -27.8995 -469.983 PRESSAVG: 2640000 31.424 -20.8784 0.486786 -20.8783 -64.4682 19.1788 0.486784 19.1789 77.206 GPRESSAVG: 2640000 30.3626 -18.8453 1.77224 -23.2518 -64.2239 17.7991 -0.355116 21.4345 78.1714 TIMING: 2640000 CPU: 7955.12, 0.00301105/step Wall: 7955.12, 0.00301105/step, 1.97391 hours remaining, 210.957031 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: 2640000 741.3620 2142.7985 1941.8408 120.2463 -205794.0923 17389.5557 0.0000 0.0000 34204.9469 -149253.3421 298.7203 -183458.2889 -149152.9177 299.8825 -278.2765 -246.0053 559357.5584 14.7206 14.7700 PRESSURE: 2640200 157.326 182.352 89.6206 182.352 -10.6401 -31.4684 89.6198 -31.469 -124.745 GPRESSURE: 2640200 193.791 196.835 54.6736 176.839 20.7807 -145.649 49.6526 71.66 -100.247 PRESSAVG: 2640200 36.4519 -23.6792 -5.85146 -23.6791 -33.4957 -37.6296 -5.85143 -37.6296 -33.7169 GPRESSAVG: 2640200 37.0428 -27.1906 -6.59705 -22.4672 -32.9329 -35.8431 -4.80947 -40.1271 -34.6452 TIMING: 2640200 CPU: 7955.73, 0.00304514/step Wall: 7955.73, 0.00304514/step, 1.99609 hours remaining, 210.957031 MB of memory in use. ENERGY: 2640200 687.4844 2051.2170 1926.2201 103.6853 -206466.2013 17904.7295 0.0000 0.0000 34338.8206 -149454.0444 299.8895 -183792.8650 -149357.6893 298.8504 7.3138 38.1082 558242.1945 -10.2535 -10.1784 LDB: ============= START OF LOAD BALANCING ============== 7959.25 LDB: ============== END OF LOAD BALANCING =============== 7959.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7959.25 LDB: ============= START OF LOAD BALANCING ============== 7959.56 LDB: Largest compute 4801 load 0.025218 is 21.3% of average load 0.118144 LDB: Average compute 0.001724 is 1.5% of average load 0.118144 LDB: TIME 7959.56 LOAD: AVG 0.118144 MAX 0.215692 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.738 MB LDB: TIME 7959.57 LOAD: AVG 0.118144 MAX 0.215692 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.941 MB LDB: TIME 7959.57 LOAD: AVG 0.118144 MAX 0.215692 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.941 MB LDB: ============== END OF LOAD BALANCING =============== 7959.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7959.57 PRESSURE: 2640400 -31.8995 -78.5087 -1.66857 -78.5086 127.15 40.7304 -1.66888 40.7314 -23.0033 GPRESSURE: 2640400 14.1685 -53.4568 47.83 -118.149 193.434 132.958 -12.7027 -13.7393 -27.6645 PRESSAVG: 2640400 13.5412 22.8682 -46.4041 22.8682 -16.9084 39.3675 -46.4042 39.3676 -9.87578 GPRESSAVG: 2640400 12.6086 25.1037 -44.6393 22.1496 -17.2295 39.6773 -46.5921 38.1858 -9.46613 TIMING: 2640400 CPU: 7956.35, 0.00311139/step Wall: 7956.35, 0.00311139/step, 2.03934 hours remaining, 209.570312 MB of memory in use. ENERGY: 2640400 761.0031 2110.8563 1930.1654 101.7989 -206546.1610 17963.2179 0.0000 0.0000 34183.0022 -149496.1171 298.5287 -183679.1194 -149405.5337 298.8573 24.0824 59.9792 557112.1119 -4.4143 -4.6957 PRESSURE: 2640600 -132.629 -71.0681 40.5977 -71.0678 66.938 -11.1021 40.5966 -11.1028 -39.6116 GPRESSURE: 2640600 -95.8955 -80.6023 -5.26959 -57.3354 130.29 19.8533 61.2366 -43.8122 -38.2117 PRESSAVG: 2640600 45.7956 28.0814 28.3205 28.0815 3.52672 73.4496 28.3205 73.4495 -43.7576 GPRESSAVG: 2640600 47.0814 26.9111 27.2697 28.7243 2.21341 72.8758 25.9604 75.1629 -43.8634 TIMING: 2640600 CPU: 7956.97, 0.00305768/step Wall: 7956.97, 0.00305768/step, 2.00397 hours remaining, 209.773438 MB of memory in use. ENERGY: 2640600 767.8039 2080.0316 1903.4832 107.5444 -206716.3909 17991.4835 0.0000 0.0000 34173.2662 -149692.7782 298.4436 -183866.0444 -149600.6801 298.7001 -35.1007 -1.2724 556612.0816 1.8549 1.8105 PRESSURE: 2640800 99.3062 -49.3137 -95.0127 -49.3132 49.3396 9.83816 -95.0111 9.83816 190.465 GPRESSURE: 2640800 110.642 -72.2522 -92.7179 -8.22059 108.172 -16.2327 -95.5663 2.85957 218.384 PRESSAVG: 2640800 3.64988 8.41062 -42.3931 8.4107 23.4293 -4.30346 -42.3932 -4.30357 -19.7409 GPRESSAVG: 2640800 3.69967 10.2088 -40.8664 7.08132 23.3476 -4.74313 -40.5288 -4.78924 -19.8526 TIMING: 2640800 CPU: 7957.57, 0.00300662/step Wall: 7957.57, 0.00300662/step, 1.97034 hours remaining, 210.035156 MB of memory in use. ENERGY: 2640800 786.0666 2018.1822 1932.9001 108.7773 -206581.6267 18086.8502 0.0000 0.0000 34027.6848 -149621.1656 297.1722 -183648.8504 -149522.4276 298.5342 113.0370 145.7325 556734.0781 2.4461 2.3982 PRESSURE: 2641000 -64.3688 129.739 120.669 129.737 -24.474 121.096 120.67 121.095 -245.147 GPRESSURE: 2641000 -16.3325 14.4424 101.133 79.92 -31.3905 60.507 76.3862 124.22 -189.344 PRESSAVG: 2641000 31.0023 -37.8302 30.0149 -37.8302 32.0224 28.1841 30.0149 28.184 -29.1406 GPRESSAVG: 2641000 30.3688 -40.8165 28.1238 -36.6956 33.8299 28.5727 31.0907 27.0129 -30.033 TIMING: 2641000 CPU: 7958.17, 0.00303336/step Wall: 7958.17, 0.00303336/step, 1.9877 hours remaining, 210.035156 MB of memory in use. ENERGY: 2641000 758.9380 2062.9899 1941.5611 114.7582 -206334.4531 17605.8327 0.0000 0.0000 34311.8975 -149538.4757 299.6543 -183850.3732 -149435.0259 298.3696 -111.3301 -79.0223 558614.2136 11.2947 11.3886 PRESSURE: 2641200 -167.633 -23.3123 84.0309 -23.3133 -53.7332 77.9658 84.0328 77.9681 -51.6514 GPRESSURE: 2641200 -195.727 -24.9916 94.9948 -97.963 -30.3508 48.58 49.3223 147.473 45.2193 PRESSAVG: 2641200 16.5825 30.5246 3.63192 30.5246 -13.289 61.9875 3.63188 61.9876 -25.2386 GPRESSAVG: 2641200 16.6984 33.3857 3.76868 30.3192 -14.2845 60.3445 3.46174 63.6963 -24.4437 TIMING: 2641200 CPU: 7958.77, 0.00300146/step Wall: 7958.77, 0.00300146/step, 1.96662 hours remaining, 210.035156 MB of memory in use. ENERGY: 2641200 747.8437 2054.9073 1926.8436 111.8565 -206203.5019 17776.5851 0.0000 0.0000 34168.0682 -149417.3975 298.3982 -183585.4657 -149321.4761 298.6996 -91.0057 -60.2861 558397.1017 -7.3150 -7.3433 PRESSURE: 2641400 394.544 55.1032 -39.4461 55.1021 162.472 -27.0444 -39.4471 -27.045 38.6067 GPRESSURE: 2641400 405.621 106.442 -93.9785 -0.916589 171.441 -50.3881 -1.98196 32.6351 113.913 PRESSAVG: 2641400 -4.50468 -28.9397 0.85736 -28.9397 -8.5987 36.5212 0.857346 36.5213 48.2652 GPRESSAVG: 2641400 -5.29324 -29.2368 2.094 -27.948 -7.90465 36.8308 -0.312915 37.3202 48.0876 TIMING: 2641400 CPU: 7959.37, 0.00299792/step Wall: 7959.37, 0.00299792/step, 1.96414 hours remaining, 210.035156 MB of memory in use. ENERGY: 2641400 766.5501 2081.9906 1936.9919 107.8961 -206770.6242 18104.8299 0.0000 0.0000 34187.5636 -149584.8020 298.5685 -183772.3656 -149489.4224 298.7166 198.5411 230.3248 555344.6414 11.7206 11.6299 PRESSURE: 2641600 18.6528 99.1545 32.0825 99.1549 6.35156 -1.51367 32.084 -1.51432 75.6595 GPRESSURE: 2641600 88.3354 11.6325 36.0814 71.073 67.4792 -85.527 22.9819 -40.4488 35.9548 PRESSAVG: 2641600 48.9682 -54.6622 20.7859 -54.6623 -43.3887 10.1426 20.7858 10.1426 18.8615 GPRESSAVG: 2641600 50.3797 -55.2926 19.7394 -55.6453 -44.1352 10.2902 23.6776 10.2825 18.4179 TIMING: 2641600 CPU: 7959.97, 0.00299498/step Wall: 7959.97, 0.00299498/step, 1.96204 hours remaining, 210.035156 MB of memory in use. ENERGY: 2641600 743.3685 2111.9491 1937.5643 114.6505 -206463.1441 18006.6964 0.0000 0.0000 34007.3229 -149541.5925 296.9944 -183548.9153 -149447.8834 297.8557 33.5546 63.9231 557994.5055 8.1470 8.2208 PRESSURE: 2641800 -50.7763 -70.3344 -177.466 -70.3328 178.757 -154.733 -177.467 -154.733 -232.917 GPRESSURE: 2641800 -72.9033 16.9333 -161.502 -103.947 213.51 -160.445 -165.396 -117.902 -161.392 PRESSAVG: 2641800 -53.1704 10.6222 -38.1608 10.6221 27.9628 -25.9893 -38.1609 -25.9894 46.2057 GPRESSAVG: 2641800 -51.7764 10.7444 -39.0359 9.64098 26.8072 -26.6831 -40.6947 -25.0323 45.7607 TIMING: 2641800 CPU: 7960.57, 0.00297099/step Wall: 7960.57, 0.00297099/step, 1.94617 hours remaining, 210.035156 MB of memory in use. ENERGY: 2641800 776.1572 2079.3148 1926.1435 115.6882 -206581.5325 17954.8867 0.0000 0.0000 34128.6056 -149600.7365 298.0536 -183729.3421 -149508.8099 298.2778 -34.9787 -6.9284 558019.9716 6.9994 6.9305 PRESSURE: 2642000 69.9269 -88.5784 5.25191 -88.5781 53.7489 31.289 5.25129 31.2881 -249.572 GPRESSURE: 2642000 90.884 -113.245 25.3552 -28.0437 60.4785 29.7924 45.9924 67.9794 -179.183 PRESSAVG: 2642000 15.677 55.6604 27.1609 55.6603 64.6575 -18.1931 27.161 -18.1931 -92.6078 GPRESSAVG: 2642000 14.2134 53.6877 29.7021 56.9188 64.5248 -17.5486 28.5989 -17.6778 -91.2169 TIMING: 2642000 CPU: 7961.17, 0.00299307/step Wall: 7961.17, 0.00299307/step, 1.96046 hours remaining, 210.035156 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: 2642000 713.9586 2066.4160 1952.0200 120.8988 -206162.2060 17602.0495 0.0000 0.0000 34156.4596 -149550.4035 298.2969 -183706.8631 -149460.9133 297.7376 -41.9654 -9.2734 557185.5910 -4.0911 -4.1596 PRESSURE: 2642200 128.385 -180.101 -226.451 -180.101 3.18697 37.6978 -226.452 37.6973 130.982 GPRESSURE: 2642200 163.933 -138.903 -118.554 -79.2789 60.5907 -3.39453 -341.52 144.387 128.299 PRESSAVG: 2642200 19.1624 15.2896 -74.4103 15.2896 16.0259 -20.8279 -74.4102 -20.8279 -18.5678 GPRESSAVG: 2642200 18.5714 16.5907 -75.871 16.4721 16.4702 -18.8562 -75.3129 -23.2497 -18.4458 TIMING: 2642200 CPU: 7961.77, 0.00302606/step Wall: 7961.77, 0.00302606/step, 1.9819 hours remaining, 210.035156 MB of memory in use. ENERGY: 2642200 727.7301 2095.9269 1924.6993 105.1025 -206546.1640 17930.1321 0.0000 0.0000 34113.2474 -149649.3258 297.9195 -183762.5732 -149556.6190 298.4206 87.5179 117.6078 554752.4377 5.5402 5.5319 PRESSURE: 2642400 -144.574 22.8084 36.2853 22.81 73.0327 178.805 36.2853 178.806 -144.558 GPRESSURE: 2642400 -102.128 15.3421 -69.9091 57.968 103.195 220.327 52.0281 191.469 -105.28 PRESSAVG: 2642400 31.362 -74.981 -42.3817 -74.9809 48.6836 20.6619 -42.3817 20.6618 -45.0967 GPRESSAVG: 2642400 31.9935 -75.0374 -41.8873 -74.9367 49.6567 21.4454 -41.9554 21.1131 -46.4168 TIMING: 2642400 CPU: 7962.38, 0.00301951/step Wall: 7962.38, 0.00301951/step, 1.97744 hours remaining, 210.035156 MB of memory in use. ENERGY: 2642400 754.4955 2036.3691 1921.4816 106.3601 -206464.7091 17895.2570 0.0000 0.0000 34030.4711 -149720.2747 297.1966 -183750.7459 -149621.4671 297.7796 -72.0334 -34.7377 557005.1502 11.6496 11.7445 PRESSURE: 2642600 -247.495 13.0428 142.013 13.0423 139.195 156.906 142.014 156.904 -218.671 GPRESSURE: 2642600 -224.435 -61.2217 67.3097 -2.86507 168.901 127.676 130.611 148.028 -185.079 PRESSAVG: 2642600 -19.703 -32.0468 57.6186 -32.0467 -27.2261 31.741 57.6186 31.7409 -4.12042 GPRESSAVG: 2642600 -20.1213 -33.9904 56.2603 -32.5156 -26.9642 30.2666 59.2388 31.7088 -3.94154 TIMING: 2642600 CPU: 7962.98, 0.00299989/step Wall: 7962.98, 0.00299989/step, 1.96443 hours remaining, 210.035156 MB of memory in use. ENERGY: 2642600 711.4465 2075.5456 1961.1543 111.1972 -206218.1459 17573.1067 0.0000 0.0000 34013.7324 -149771.9632 297.0504 -183785.6956 -149677.0551 297.2486 -108.9903 -80.2042 557142.0858 -17.0165 -17.0090 PRESSURE: 2642800 -50.053 -84.3481 -123.877 -84.3478 29.4102 138.78 -123.877 138.78 -65.9432 GPRESSURE: 2642800 13.6133 -74.1103 -44.0951 -88.5519 54.9546 108.64 -147.672 143.809 -60.8956 PRESSAVG: 2642800 -33.508 23.8106 49.4683 23.8107 -2.30497 26.8809 49.4684 26.881 24.288 GPRESSAVG: 2642800 -32.7867 24.8807 50.1369 23.4196 -3.56081 25.7749 47.9246 25.8665 24.3781 TIMING: 2642800 CPU: 7963.58, 0.00300089/step Wall: 7963.58, 0.00300089/step, 1.96492 hours remaining, 210.035156 MB of memory in use. ENERGY: 2642800 722.6339 2051.2149 1930.7137 110.9329 -206588.7882 17929.5068 0.0000 0.0000 34039.2741 -149804.5120 297.2734 -183843.7861 -149715.1112 297.3497 -28.8620 2.5574 557288.9392 -3.8417 -3.9898 PRESSURE: 2643000 -20.2085 -77.2136 19.6384 -77.2146 -350.253 -6.24679 19.6382 -6.24734 -267.496 GPRESSURE: 2643000 -2.63227 -74.8765 -15.1176 -60.1235 -287.553 -10.06 -54.9396 94.2151 -247.774 PRESSAVG: 2643000 64.6966 0.528221 -11.0189 0.528123 -12.7219 26.0385 -11.0188 26.0387 -23.7741 GPRESSAVG: 2643000 64.3902 1.85939 -11.0234 0.448771 -13.0015 26.3613 -12.1064 26.7866 -23.3373 TIMING: 2643000 CPU: 7964.17, 0.00299844/step Wall: 7964.17, 0.00299844/step, 1.96314 hours remaining, 210.035156 MB of memory in use. ENERGY: 2643000 690.1395 2074.3314 1948.1907 115.2915 -205795.7922 17295.6013 0.0000 0.0000 34084.7446 -149587.4932 297.6706 -183672.2378 -149491.3270 297.7674 -212.6527 -179.3196 558275.8053 9.4002 9.3505 PRESSURE: 2643200 -3.42997 150.622 33.3953 150.623 -101.036 -76.4303 33.3966 -76.4298 -280.467 GPRESSURE: 2643200 32.6591 171.154 47.7573 164.725 -54.5276 -57.1971 -1.54127 -50.8152 -265.973 PRESSAVG: 2643200 10.2759 -48.9172 -8.6032 -48.9173 -9.84454 57.9783 -8.60313 57.9783 -15.424 GPRESSAVG: 2643200 9.97741 -49.7109 -8.34582 -48.6595 -9.82567 61.6032 -8.87218 57.8405 -15.5086 TIMING: 2643200 CPU: 7964.78, 0.0030257/step Wall: 7964.78, 0.0030257/step, 1.98082 hours remaining, 210.035156 MB of memory in use. ENERGY: 2643200 761.8267 2116.9228 1941.4947 113.8304 -206499.2226 17756.4952 0.0000 0.0000 34341.1160 -149467.5367 299.9095 -183808.6528 -149368.4741 298.2429 -128.3110 -95.9471 558260.3662 -4.9975 -5.1189 PRESSURE: 2643400 29.984 20.7005 -215.366 20.702 -108.405 191.91 -215.366 191.911 31.7869 GPRESSURE: 2643400 62.2525 61.5072 -91.0091 25.7668 -58.9532 202.185 -249.3 187.779 62.6456 PRESSAVG: 2643400 86.4625 19.253 10.1109 19.253 -95.4801 31.0908 10.1109 31.0908 -25.4492 GPRESSAVG: 2643400 86.5299 20.2117 11.5608 16.5979 -95.0712 27.3711 8.9467 32.9578 -26.2861 TIMING: 2643400 CPU: 7965.39, 0.00304231/step Wall: 7965.39, 0.00304231/step, 1.99153 hours remaining, 210.035156 MB of memory in use. ENERGY: 2643400 739.8367 2092.4215 1977.6223 102.0194 -206179.7196 17909.9624 0.0000 0.0000 33940.1158 -149417.7415 296.4075 -183357.8573 -149322.6972 298.1642 -15.5446 21.9816 557586.2528 -11.4889 -11.6091 PRESSURE: 2643600 -45.8028 15.0857 90.8423 15.0863 -220.905 24.4229 90.8425 24.4214 -71.5569 GPRESSURE: 2643600 24.3393 -13.0994 76.7359 62.9736 -163.639 -47.3328 20.2166 98.2461 -100.815 PRESSAVG: 2643600 17.3164 28.1749 -51.3037 28.1749 20.4586 50.8227 -51.3038 50.8227 10.7199 GPRESSAVG: 2643600 16.6323 27.4296 -53.169 30.8412 20.8247 48.2766 -48.8239 51.6077 11.1696 TIMING: 2643600 CPU: 7965.99, 0.00302145/step Wall: 7965.99, 0.00302145/step, 1.9777 hours remaining, 210.035156 MB of memory in use. ENERGY: 2643600 730.2041 2170.4781 1938.8562 112.0188 -206116.7933 17647.0284 0.0000 0.0000 34275.3966 -149242.8111 299.3356 -183518.2077 -149145.8378 299.2119 -112.7548 -80.0382 558120.2802 16.1649 16.2089 PRESSURE: 2643800 27.4141 -27.0823 193.54 -27.0841 -324.624 89.5251 193.539 89.5233 158.648 GPRESSURE: 2643800 56.3521 -105.514 120.634 -1.42247 -246.473 174.67 264.456 94.575 163.551 PRESSAVG: 2643800 39.9675 48.7389 7.18152 48.7389 -45.2679 2.77134 7.18151 2.77144 14.3122 GPRESSAVG: 2643800 40.6966 47.8968 6.45193 49.0112 -45.394 3.8823 8.176 3.05946 13.6539 TIMING: 2643800 CPU: 7966.59, 0.00299304/step Wall: 7966.59, 0.00299304/step, 1.95894 hours remaining, 210.035156 MB of memory in use. ENERGY: 2643800 738.4783 2081.8333 1932.6129 123.3102 -206075.5076 17686.9073 0.0000 0.0000 34196.9403 -149315.4253 298.6504 -183512.3656 -149205.0121 299.0780 -46.1871 -8.8569 558216.9838 3.0039 2.9855 PRESSURE: 2644000 -366.266 -56.1993 -44.5389 -56.1997 -247.903 138.629 -44.5392 138.628 -366.819 GPRESSURE: 2644000 -305.731 -28.2115 -19.9591 -57.2532 -278.174 168.089 -13.7089 62.6822 -292.347 PRESSAVG: 2644000 -3.97132 -29.7194 9.99962 -29.7195 -2.74428 57.8431 9.99966 57.8432 16.7199 GPRESSAVG: 2644000 -3.5523 -28.7341 9.20798 -31.0923 -3.39953 60.9593 11.0226 53.7767 17.3067 TIMING: 2644000 CPU: 7967.2, 0.00302975/step Wall: 7967.2, 0.00302975/step, 1.9828 hours remaining, 210.035156 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: 2644000 809.9657 2141.1457 1931.6317 118.0035 -205922.1115 17619.1977 0.0000 0.0000 34182.3189 -149119.8483 298.5227 -183302.1672 -149025.3767 299.0311 -326.9960 -292.0841 560038.8016 3.3348 3.4516 PRESSURE: 2644200 -184.75 -37.0136 183.509 -37.0128 -60.3198 40.5554 183.508 40.556 76.0261 GPRESSURE: 2644200 -127.968 -14.4344 185.45 13.0934 -27.8798 32.4799 111.912 10.755 71.2443 PRESSAVG: 2644200 -18.6181 36.6999 -0.807876 36.6999 37.5544 89.2325 -0.807855 89.2324 -37.5196 GPRESSAVG: 2644200 -19.6285 35.8034 1.89309 38.3153 38.2603 86.7431 -2.08025 91.9152 -36.736 TIMING: 2644200 CPU: 7967.8, 0.00300121/step Wall: 7967.8, 0.00300121/step, 1.96396 hours remaining, 210.035156 MB of memory in use. ENERGY: 2644200 774.7181 2110.7299 1923.2318 104.3882 -205970.7163 17852.2946 0.0000 0.0000 34081.7905 -149123.5632 297.6448 -183205.3537 -149025.8266 299.0500 -56.3479 -28.2010 558599.9435 -6.1944 -6.0348 LDB: ============= START OF LOAD BALANCING ============== 7971.31 LDB: ============== END OF LOAD BALANCING =============== 7971.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7971.31 LDB: ============= START OF LOAD BALANCING ============== 7971.61 LDB: Largest compute 4801 load 0.024187 is 20.5% of average load 0.118147 LDB: Average compute 0.001716 is 1.5% of average load 0.118147 LDB: TIME 7971.62 LOAD: AVG 0.118147 MAX 0.211052 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.453 MB LDB: TIME 7971.62 LOAD: AVG 0.118147 MAX 0.211052 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.656 MB LDB: TIME 7971.62 LOAD: AVG 0.118147 MAX 0.211052 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.656 MB LDB: ============== END OF LOAD BALANCING =============== 7971.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7971.62 PRESSURE: 2644400 -121.493 32.1703 -29.128 32.1696 -224.491 -116.232 -29.1284 -116.234 -6.52045 GPRESSURE: 2644400 -33.878 -79.5926 -93.8084 85.4402 -175.622 -119.871 77.3609 -163.519 -39.1295 PRESSAVG: 2644400 -1.183 13.1464 68.4548 13.1463 18.094 -6.59566 68.4547 -6.59579 13.7762 GPRESSAVG: 2644400 -0.0225994 15.3204 67.5653 12.2938 17.3998 -5.36118 66.2426 -8.76614 13.4261 TIMING: 2644400 CPU: 7968.41, 0.0030461/step Wall: 7968.41, 0.0030461/step, 1.99316 hours remaining, 210.226562 MB of memory in use. ENERGY: 2644400 741.1194 2112.6482 1943.5249 106.0928 -206172.2884 17597.9856 0.0000 0.0000 34327.9254 -149342.9921 299.7943 -183670.9175 -149245.6590 299.3572 -117.5014 -82.8766 557982.6422 10.2291 10.2678 PRESSURE: 2644600 17.9935 22.7155 -147.259 22.716 -116.737 45.5165 -147.26 45.5173 -99.1909 GPRESSURE: 2644600 93.3539 5.63348 -53.6363 -28.5058 -145.689 0.86201 -219.321 108.983 -53.8495 PRESSAVG: 2644600 34.5216 24.9954 8.80469 24.9955 -31.6668 27.263 8.80464 27.263 -14.1616 GPRESSAVG: 2644600 33.8253 23.2097 10.1266 24.6516 -31.9257 28.404 7.96512 26.9681 -13.5089 TIMING: 2644600 CPU: 7969.01, 0.00301478/step Wall: 7969.01, 0.00301478/step, 1.9725 hours remaining, 210.335938 MB of memory in use. ENERGY: 2644600 724.4943 2103.5318 1940.3631 124.6458 -206224.6570 17646.9676 0.0000 0.0000 34085.1238 -149599.5306 297.6739 -183684.6544 -149498.3682 298.2318 -65.9781 -35.3949 557070.0223 -3.7689 -3.8697 PRESSURE: 2644800 11.6662 -38.9791 16.011 -38.9794 -66.8274 221.023 16.0118 221.024 27.8485 GPRESSURE: 2644800 54.6615 23.2939 -76.1084 -47.2147 -34.724 184.398 7.99492 254.284 47.2824 PRESSAVG: 2644800 -25.8913 10.2998 -38.1094 10.2998 4.26795 19.8472 -38.1094 19.8473 42.7142 GPRESSAVG: 2644800 -24.9454 10.1365 -39.5753 11.4788 3.58443 17.0632 -35.7571 21.6063 42.3687 TIMING: 2644800 CPU: 7969.61, 0.00301762/step Wall: 7969.61, 0.00301762/step, 1.97419 hours remaining, 210.335938 MB of memory in use. ENERGY: 2644800 716.7707 2059.6391 1923.5989 100.4515 -206495.4851 17907.0335 0.0000 0.0000 34125.1432 -149662.8482 298.0234 -183787.9913 -149570.7806 298.3050 -9.1042 22.4066 556078.8253 7.0303 7.0026 PRESSURE: 2645000 318.863 53.0417 -58.3378 53.0411 -165.713 -116.449 -58.3389 -116.449 60.3264 GPRESSURE: 2645000 339.384 67.0688 -38.8522 17.0275 -142.008 -92.6966 -96.9628 -158.208 118.294 PRESSAVG: 2645000 34.0822 -10.1678 27.6507 -10.1678 -48.0081 44.4328 27.6507 44.4328 25.2683 GPRESSAVG: 2645000 32.115 -9.66188 28.8239 -10.3311 -45.7183 45.9557 26.2452 42.692 24.6381 TIMING: 2645000 CPU: 7970.21, 0.00300301/step Wall: 7970.21, 0.00300301/step, 1.96447 hours remaining, 210.335938 MB of memory in use. ENERGY: 2645000 706.3635 2051.2867 1913.2416 111.7044 -206810.4291 18087.5286 0.0000 0.0000 34212.6460 -149727.6583 298.7875 -183940.3043 -149626.7807 297.5432 71.1587 105.2231 558080.1316 3.7808 3.6783 PRESSURE: 2645200 -94.9183 208.893 5.5738 208.893 -48.2783 22.9854 5.57401 22.985 -218.233 GPRESSURE: 2645200 -59.9572 213.414 21.2168 146.506 0.215301 54.4983 -31.4911 -41.3481 -198.228 PRESSAVG: 2645200 -6.8127 -13.7814 19.6679 -13.7814 11.6811 -18.1944 19.668 -18.1944 -22.5824 GPRESSAVG: 2645200 -5.16831 -14.7639 18.6941 -13.1403 9.76787 -19.2011 20.0846 -16.1467 -22.8483 TIMING: 2645200 CPU: 7970.81, 0.00298371/step Wall: 7970.81, 0.00298371/step, 1.95168 hours remaining, 210.335938 MB of memory in use. ENERGY: 2645200 726.6617 2060.0317 1920.6967 109.9905 -206381.7424 17872.1172 0.0000 0.0000 34165.7412 -149526.5034 298.3779 -183692.2446 -149433.0621 298.0191 -120.4764 -85.9900 559293.0050 -5.9047 -6.0829 PRESSURE: 2645400 -112.488 -80.0212 13.143 -80.0211 -2.19759 -136.118 13.1432 -136.119 -115.344 GPRESSURE: 2645400 -51.5811 -97.4828 46.7125 -51.7336 28.2315 -106.342 4.26162 -173.486 -99.9734 PRESSAVG: 2645400 -41.3505 -24.3941 36.5175 -24.3942 55.8507 -16.1079 36.5175 -16.1079 -9.74214 GPRESSAVG: 2645400 -41.0927 -23.7529 36.1831 -23.6371 56.288 -17.2882 37.6428 -15.1651 -10.4161 TIMING: 2645400 CPU: 7971.42, 0.00304095/step Wall: 7971.42, 0.00304095/step, 1.98895 hours remaining, 210.335938 MB of memory in use. ENERGY: 2645400 721.9690 2082.4202 1917.8802 105.7597 -206137.8811 17821.4095 0.0000 0.0000 34059.0312 -149429.4113 297.4460 -183488.4425 -149330.8527 298.1905 -76.6764 -41.1077 558302.9913 1.5860 1.5930 PRESSURE: 2645600 50.6933 44.5717 -54.7509 44.5716 -262.643 -22.0868 -54.751 -22.0869 -175.334 GPRESSURE: 2645600 13.6732 66.1415 -7.53709 10.9394 -145.881 -147.241 -70.4444 -3.03531 -165.392 PRESSAVG: 2645600 -2.78166 27.6658 12.7949 27.6658 12.16 -5.77193 12.7949 -5.77193 -47.3362 GPRESSAVG: 2645600 -4.07714 26.7295 12.6648 25.3524 12.1632 -4.16323 12.4801 -6.99879 -45.7702 TIMING: 2645600 CPU: 7972.02, 0.00301676/step Wall: 7972.02, 0.00301676/step, 1.97296 hours remaining, 210.335938 MB of memory in use. ENERGY: 2645600 732.3717 2076.9760 1931.7740 116.8678 -206021.5795 17785.8792 0.0000 0.0000 34164.7838 -149212.9271 298.3696 -183377.7109 -149118.1993 299.0432 -129.0948 -99.1999 558111.6205 -12.6526 -12.5614 PRESSURE: 2645800 -357.171 63.2223 -20.5697 63.2235 -62.7604 4.5208 -20.5685 4.52066 2.71156 GPRESSURE: 2645800 -313.559 60.0654 -8.57401 21.7809 -57.1406 -27.1241 -5.81438 61.3595 55.1153 PRESSAVG: 2645800 3.49852 -2.10071 50.1037 -2.10071 58.3829 -13.4987 50.1037 -13.4988 3.62329 GPRESSAVG: 2645800 3.23091 -0.795246 49.6072 -1.55282 57.8204 -14.3839 51.2378 -14.6109 4.00463 TIMING: 2645800 CPU: 7972.63, 0.00301926/step Wall: 7972.63, 0.00301926/step, 1.97443 hours remaining, 210.335938 MB of memory in use. ENERGY: 2645800 797.4446 2035.8960 1962.5440 108.5331 -205785.0931 17462.9280 0.0000 0.0000 34217.9653 -149199.7821 298.8340 -183417.7474 -149099.2889 298.7299 -139.0731 -105.1947 558466.6652 21.8349 21.6853 PRESSURE: 2646000 105.1 -62.5621 -0.111052 -62.5631 -63.0477 -48.294 -0.110009 -48.2947 31.5538 GPRESSURE: 2646000 77.682 -74.1485 -23.7223 -1.69303 52.4105 38.6201 3.35379 -42.5985 53.0794 PRESSAVG: 2646000 2.0237 -37.3874 30.7417 -37.3875 -49.7598 -31.6598 30.7417 -31.6598 51.9859 GPRESSAVG: 2646000 2.56551 -37.813 32.1836 -37.6329 -49.3887 -32.6799 29.2593 -28.5945 50.8373 TIMING: 2646000 CPU: 7973.23, 0.00301951/step Wall: 7973.23, 0.00301951/step, 1.97442 hours remaining, 210.335938 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: 2646000 714.7633 2030.6215 1946.1875 94.3701 -206290.2826 17617.5654 0.0000 0.0000 34589.9721 -149296.8027 302.0828 -183886.7749 -149196.2086 299.7757 24.5353 61.0573 555960.1161 1.4166 1.3380 PRESSURE: 2646200 8.59751 -130.648 110.84 -130.649 -84.2504 -49.3948 110.841 -49.3962 -128.245 GPRESSURE: 2646200 67.5943 -57.0574 142.344 -64.6557 -73.1196 -33.2087 42.3856 10.8876 -114.978 PRESSAVG: 2646200 18.5011 -9.29767 40.6434 -9.2977 -40.0734 -12.4781 40.6434 -12.4779 48.8755 GPRESSAVG: 2646200 19.0738 -10.5374 42.3092 -9.31156 -40.4627 -10.5929 39.6033 -14.0635 48.9126 TIMING: 2646200 CPU: 7973.84, 0.00303415/step Wall: 7973.84, 0.00303415/step, 1.98383 hours remaining, 210.335938 MB of memory in use. ENERGY: 2646200 754.4593 2056.7009 1922.5250 117.2692 -206221.9485 17825.7201 0.0000 0.0000 34350.9312 -149194.3428 299.9952 -183545.2740 -149087.6135 300.0823 -67.9661 -40.1679 557413.4997 9.1011 9.1745 PRESSURE: 2646400 142.297 -16.3927 69.5879 -16.3924 -273.974 -82.1954 69.5861 -82.1945 136.57 GPRESSURE: 2646400 138.028 34.5671 125.206 -8.06689 -156.511 -92.0862 111.079 -21.3278 123.36 PRESSAVG: 2646400 0.751816 -31.6418 50.0245 -31.6417 16.5086 -36.8797 50.0245 -36.8796 35.1498 GPRESSAVG: 2646400 -0.216901 -29.6446 49.6466 -32.506 17.7242 -37.686 51.2867 -35.1161 34.9352 TIMING: 2646400 CPU: 7974.45, 0.00304307/step Wall: 7974.45, 0.00304307/step, 1.98949 hours remaining, 210.335938 MB of memory in use. ENERGY: 2646400 746.0248 2031.7579 1915.0724 118.5409 -206532.1154 18106.1751 0.0000 0.0000 34305.0582 -149309.4861 299.5946 -183614.5442 -149219.4511 299.1567 1.6306 34.9587 558902.1907 17.4701 17.4808 PRESSURE: 2646600 208.216 213.843 3.35737 213.844 -90.5379 -43.5466 3.35704 -43.5475 -13.3648 GPRESSURE: 2646600 199.927 247.424 82.0199 111.452 -13.4686 -36.14 -17.3539 -94.7953 14.3639 PRESSAVG: 2646600 7.52597 39.8502 17.7564 39.8502 -74.0532 -17.9756 17.7564 -17.9758 67.1048 GPRESSAVG: 2646600 8.45398 37.4376 14.8035 39.0524 -75.5576 -18.1688 19.0385 -20.522 67.8139 TIMING: 2646600 CPU: 7975.05, 0.00302511/step Wall: 7975.05, 0.00302511/step, 1.97758 hours remaining, 210.335938 MB of memory in use. ENERGY: 2646600 719.0798 2049.8133 1932.3540 104.9148 -206253.9025 17915.4808 0.0000 0.0000 34226.3274 -149305.9324 298.9070 -183532.2597 -149208.5569 299.2887 34.7709 66.9407 558893.5967 0.1925 0.2367 PRESSURE: 2646800 -140.811 138.138 10.0167 138.138 87.3774 -45.04 10.0168 -45.0389 -74.7223 GPRESSURE: 2646800 -92.0534 118.157 -20.7097 148.883 85.825 -44.8122 38.7798 -57.9738 -31.272 PRESSAVG: 2646800 -24.9221 27.7275 -9.4486 27.7275 24.4246 -16.452 -9.44856 -16.452 2.04922 GPRESSAVG: 2646800 -23.4292 29.552 -7.40026 28.2689 25.487 -17.4475 -11.2144 -16.1167 -0.570063 TIMING: 2646800 CPU: 7975.65, 0.00300879/step Wall: 7975.65, 0.00300879/step, 1.96675 hours remaining, 210.335938 MB of memory in use. ENERGY: 2646800 754.2680 2079.3233 1931.4495 133.6860 -206491.0971 17788.6649 0.0000 0.0000 34407.5460 -149396.1594 300.4897 -183803.7054 -149298.1067 299.4561 -42.7187 -12.5001 558046.7817 0.5172 0.4959 PRESSURE: 2647000 -76.1945 -7.89969 -87.2858 -7.89923 15.6791 33.022 -87.2864 33.0212 -195.113 GPRESSURE: 2647000 -21.0004 -35.3295 -58.7167 -14.9069 25.9041 -38.9855 -83.047 -11.7907 -159.257 PRESSAVG: 2647000 -68.9869 -26.814 23.1849 -26.8138 62.3776 -6.4846 23.185 -6.4847 7.88165 GPRESSAVG: 2647000 -70.9632 -25.7394 20.7088 -26.9096 62.5264 -6.74782 26.9926 -6.63845 10.2795 TIMING: 2647000 CPU: 7976.26, 0.00301488/step Wall: 7976.26, 0.00301488/step, 1.97056 hours remaining, 210.335938 MB of memory in use. ENERGY: 2647000 747.7181 2130.0682 1919.7886 113.2012 -206252.8768 17767.2098 0.0000 0.0000 34219.5505 -149355.3403 298.8478 -183574.8908 -149262.3484 298.8398 -85.2093 -51.4510 558285.7788 0.4241 0.6143 PRESSURE: 2647200 -221.629 -9.363 -42.85 -9.36179 -165.491 142.893 -42.8501 142.895 -260.047 GPRESSURE: 2647200 -246.465 18.1693 -119.416 -2.53959 -118.655 160.907 15.1954 81.1943 -193.527 PRESSAVG: 2647200 23.5884 50.7636 16.7353 50.7636 -12.6441 1.67299 16.7354 1.67311 26.4734 GPRESSAVG: 2647200 25.5429 48.7883 19.1937 53.8064 -13.2871 4.96287 14.4524 0.20033 25.7893 TIMING: 2647200 CPU: 7976.86, 0.00301467/step Wall: 7976.86, 0.00301467/step, 1.97025 hours remaining, 210.335938 MB of memory in use. ENERGY: 2647200 760.8937 2076.8121 1956.9066 112.3112 -206398.6661 17739.9048 0.0000 0.0000 34236.5084 -149515.3294 298.9959 -183751.8378 -149418.1961 299.7178 -215.7225 -186.2159 559341.0236 12.4725 12.6817 PRESSURE: 2647400 -99.5962 59.7452 33.4812 59.7445 310.429 45.468 33.4803 45.4658 289.056 GPRESSURE: 2647400 -32.0092 58.8681 7.08302 48.5993 324.219 89.7724 -19.0336 -10.1478 305.806 PRESSAVG: 2647400 30.8986 37.037 -38.6861 37.037 16.7631 91.1363 -38.6861 91.1363 -43.0916 GPRESSAVG: 2647400 30.8644 39.0147 -37.9404 32.9692 16.2495 89.2727 -40.2693 93.3006 -41.9196 TIMING: 2647400 CPU: 7977.46, 0.003007/step Wall: 7977.46, 0.003007/step, 1.96508 hours remaining, 210.335938 MB of memory in use. ENERGY: 2647400 719.7185 2063.1289 1944.1734 104.9503 -206533.7715 18085.6780 0.0000 0.0000 34188.4106 -149427.7116 298.5759 -183616.1222 -149331.2401 298.4717 166.6297 199.3384 557212.6188 1.5233 1.7314 PRESSURE: 2647600 -168.22 160.217 48.0934 160.218 -151.037 12.0187 48.0923 12.0182 -39.3435 GPRESSURE: 2647600 -140.927 233.615 -43.3791 160.551 -105.3 19.9928 35.3783 -17.1499 -20.9421 PRESSAVG: 2647600 -62.3942 19.6089 6.30461 19.6089 64.9619 -18.949 6.30456 -18.9491 -2.61956 GPRESSAVG: 2647600 -62.1032 19.4942 4.51314 19.5733 65.7338 -17.4922 7.36862 -20.1964 -3.70164 TIMING: 2647600 CPU: 7978.06, 0.00301279/step Wall: 7978.06, 0.00301279/step, 1.96869 hours remaining, 210.335938 MB of memory in use. ENERGY: 2647600 720.0388 2086.7854 1922.1318 105.9707 -206039.0304 17659.2793 0.0000 0.0000 34248.8164 -149296.0079 299.1034 -183544.8244 -149197.9574 298.6786 -119.5336 -89.0565 558654.9838 -0.0173 -0.0237 PRESSURE: 2647800 89.5215 -8.84222 -140.241 -8.84296 -223.705 126.993 -140.24 126.992 65.3126 GPRESSURE: 2647800 80.0489 -13.2915 -200.713 35.9239 -145.38 67.3226 -64.0937 202.669 93.4535 PRESSAVG: 2647800 -5.82403 21.8547 -20.3488 21.8546 63.0954 -27.4742 -20.3489 -27.4741 -22.9817 GPRESSAVG: 2647800 -6.68987 22.8246 -18.8474 22.1329 63.7223 -31.173 -20.3956 -25.3172 -22.9004 TIMING: 2647800 CPU: 7978.66, 0.00299665/step Wall: 7978.66, 0.00299665/step, 1.95798 hours remaining, 210.335938 MB of memory in use. ENERGY: 2647800 738.9097 2076.6152 1929.8288 106.5228 -206094.4873 17786.2378 0.0000 0.0000 34002.8512 -149453.5217 296.9554 -183456.3730 -149363.6351 298.4183 -22.9569 9.3741 556503.1301 11.4299 11.3774 PRESSURE: 2648000 102.632 83.082 121.193 83.0834 -2.81034 -117.947 121.192 -117.946 24.2399 GPRESSURE: 2648000 156.955 23.597 169.953 118.899 -0.808997 38.9655 99.1477 -149.401 63.2457 PRESSAVG: 2648000 64.6305 20.4652 4.57288 20.4652 -38.9014 36.1657 4.57274 36.1658 -57.2984 GPRESSAVG: 2648000 64.6678 19.4922 2.86919 22.2339 -39.9368 37.9594 7.71901 34.2165 -56.6824 TIMING: 2648000 CPU: 7979.26, 0.00300433/step Wall: 7979.26, 0.00300433/step, 1.96283 hours remaining, 210.335938 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: 2648000 770.3929 2060.1044 1964.7718 117.8507 -206483.5488 17873.2503 0.0000 0.0000 34339.3176 -149357.8611 299.8938 -183697.1787 -149268.6848 298.3782 41.3539 73.1307 555510.5086 -10.5231 -10.6505 PRESSURE: 2648200 -75.2462 64.3495 27.9585 64.348 34.655 47.6403 27.9578 47.642 -13.1413 GPRESSURE: 2648200 -5.24489 46.5687 -17.7358 85.8312 57.7517 -36.9374 108.784 1.11977 -8.47929 PRESSAVG: 2648200 70.4061 -32.5683 2.32264 -32.5683 -34.0737 -9.9714 2.32265 -9.97142 3.39014 GPRESSAVG: 2648200 71.5034 -32.6304 2.28129 -34.006 -35.7176 -8.62494 -1.18551 -9.4383 4.11744 TIMING: 2648200 CPU: 7979.86, 0.0029711/step Wall: 7979.86, 0.0029711/step, 1.94095 hours remaining, 210.460938 MB of memory in use. ENERGY: 2648200 700.0260 2104.7388 1938.5979 115.0989 -206343.7661 17835.0786 0.0000 0.0000 34193.7602 -149456.4658 298.6226 -183650.2260 -149351.8442 298.8309 -17.9108 14.6758 555952.9392 13.2408 13.3011 LDB: ============= START OF LOAD BALANCING ============== 7983.37 LDB: ============== END OF LOAD BALANCING =============== 7983.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7983.37 LDB: ============= START OF LOAD BALANCING ============== 7983.67 LDB: Largest compute 4801 load 0.024131 is 20.4% of average load 0.118113 LDB: Average compute 0.001720 is 1.5% of average load 0.118113 LDB: TIME 7983.68 LOAD: AVG 0.118113 MAX 0.21188 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.637 MB LDB: TIME 7983.68 LOAD: AVG 0.118113 MAX 0.21188 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.637 MB LDB: TIME 7983.68 LOAD: AVG 0.118113 MAX 0.21188 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.637 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7983.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7983.68 PRESSURE: 2648400 -19.8921 -19.3111 -36.6358 -19.3113 -171.495 24.8916 -36.6359 24.8911 -211.199 GPRESSURE: 2648400 -5.99221 -52.2855 14.6301 -91.3071 -143.961 87.955 -133.316 46.4222 -149.764 PRESSAVG: 2648400 49.9872 -68.3688 -50.9523 -68.3687 26.8717 30.0958 -50.9523 30.0958 -79.9402 GPRESSAVG: 2648400 49.0588 -68.1901 -49.1921 -68.9237 28.3668 27.0957 -49.6684 29.7255 -80.3702 TIMING: 2648400 CPU: 7980.47, 0.00305624/step Wall: 7980.47, 0.00305624/step, 1.99641 hours remaining, 209.058594 MB of memory in use. ENERGY: 2648400 763.3115 2077.7938 1934.8669 100.3461 -205998.6867 17555.5837 0.0000 0.0000 34016.0332 -149550.7516 297.0705 -183566.7848 -149459.9735 297.8623 -134.1955 -99.9057 557005.2818 -1.0271 -0.9815 PRESSURE: 2648600 295.269 -15.0157 -26.6211 -15.0151 -0.571483 133.093 -26.6213 133.093 -213.303 GPRESSURE: 2648600 313.103 -70.1668 22.0289 -37.6015 51.79 177.411 -59.8891 186.717 -194.412 PRESSAVG: 2648600 43.9689 -45.17 5.15895 -45.1698 -5.8307 32.0697 5.15888 32.0696 -32.2648 GPRESSAVG: 2648600 43.5721 -45.6784 5.41718 -44.1253 -5.57297 33.5259 2.58193 33.1578 -32.4065 TIMING: 2648600 CPU: 7981.07, 0.00299523/step Wall: 7981.07, 0.00299523/step, 1.95639 hours remaining, 209.519531 MB of memory in use. ENERGY: 2648600 727.6073 2086.6787 1934.9063 103.0758 -206032.1644 17716.1458 0.0000 0.0000 34039.9311 -149423.8195 297.2792 -183463.7506 -149329.5928 297.8121 27.1316 56.8273 556595.2499 1.9578 1.8642 PRESSURE: 2648800 175.89 82.0227 -210.489 82.0237 -119.758 16.5829 -210.49 16.5829 -33.5504 GPRESSURE: 2648800 174.428 170.913 -103.327 11.6701 -103.986 43.4889 -207.804 18.2124 42.3521 PRESSAVG: 2648800 100.122 3.06266 27.3546 3.06268 55.642 26.3025 27.3546 26.3025 -30.6476 GPRESSAVG: 2648800 100.397 2.50571 27.6103 4.11543 55.3769 27.4078 27.9175 24.8715 -30.2514 TIMING: 2648800 CPU: 7981.67, 0.00300278/step Wall: 7981.67, 0.00300278/step, 1.96115 hours remaining, 209.519531 MB of memory in use. ENERGY: 2648800 743.6524 2113.2111 1911.9179 108.2267 -206328.8053 17804.8589 0.0000 0.0000 34295.8154 -149351.1229 299.5139 -183646.9383 -149247.4296 299.0152 7.5270 37.5981 556877.8163 41.7054 41.8410 PRESSURE: 2649000 30.2283 75.1511 -32.7275 75.1523 77.7249 17.3683 -32.7276 17.3683 88.6173 GPRESSURE: 2649000 14.0691 75.7315 -16.4709 133.167 191.197 -35.2146 -73.3451 124.865 99.1839 PRESSAVG: 2649000 48.3178 21.6089 27.8574 21.609 -3.5916 71.7682 27.8574 71.7681 -28.8303 GPRESSAVG: 2649000 48.0511 24.1928 26.4228 20.9983 -3.72719 68.367 29.644 73.3064 -28.1065 TIMING: 2649000 CPU: 7982.27, 0.00301756/step Wall: 7982.27, 0.00301756/step, 1.97064 hours remaining, 209.519531 MB of memory in use. ENERGY: 2649000 712.8648 2084.9741 1919.6807 121.8410 -206467.6897 17969.9413 0.0000 0.0000 34294.0130 -149364.3748 299.4981 -183658.3878 -149271.5720 299.3608 65.5235 101.4835 558215.0668 5.2986 5.4058 PRESSURE: 2649200 -201.822 85.9348 -4.67558 85.9354 172.863 -125.21 -4.67624 -125.211 -178.637 GPRESSURE: 2649200 -122.525 38.5993 -32.4849 113.45 195.063 -153.865 -52.2201 -96.7404 -183.916 PRESSAVG: 2649200 -30.9372 26.9075 -29.8141 26.9075 24.2365 -21.6447 -29.8141 -21.6448 -31.0896 GPRESSAVG: 2649200 -29.9312 23.8978 -28.952 28.7095 23.5208 -19.3464 -29.6195 -24.3205 -32.1424 TIMING: 2649200 CPU: 7982.88, 0.00302472/step Wall: 7982.88, 0.00302472/step, 1.97514 hours remaining, 209.519531 MB of memory in use. ENERGY: 2649200 730.6008 2089.8422 1926.3693 102.3913 -206160.2466 17739.5462 0.0000 0.0000 34202.1298 -149369.3669 298.6957 -183571.4967 -149267.3791 299.2127 -69.1986 -37.1259 558913.7048 -12.5968 -12.8510 PRESSURE: 2649400 -23.4348 -67.6566 -27.2214 -67.6574 71.4881 -81.945 -27.2213 -81.946 -85.7472 GPRESSURE: 2649400 21.1986 -65.1301 16.8427 -85.7592 82.3325 -62.8722 40.7899 -54.092 -41.5976 PRESSAVG: 2649400 21.3663 9.45565 -15.885 9.45563 49.082 -38.8303 -15.8849 -38.8304 -100.236 GPRESSAVG: 2649400 20.966 12.1567 -16.7253 6.93078 50.2918 -37.8715 -15.9955 -37.9988 -101.14 TIMING: 2649400 CPU: 7983.48, 0.0030294/step Wall: 7983.48, 0.0030294/step, 1.97803 hours remaining, 209.519531 MB of memory in use. ENERGY: 2649400 746.9893 2052.2443 1946.2127 111.3665 -206201.7072 17767.3763 0.0000 0.0000 34180.6853 -149396.8327 298.5084 -183577.5180 -149301.7923 298.2555 -12.5646 20.6445 556753.5268 -9.9293 -9.9608 PRESSURE: 2649600 -180.547 -83.2719 -22.0816 -83.2723 -254.71 -71.2396 -22.0818 -71.2377 -217.307 GPRESSURE: 2649600 -170.042 -22.6203 6.10458 -95.7336 -238.657 -4.02413 -84.7859 -106.51 -162.676 PRESSAVG: 2649600 11.7561 -23.6975 -12.8128 -23.6976 19.9 0.745098 -12.8127 0.745164 -24.3753 GPRESSAVG: 2649600 12.7394 -25.687 -12.6783 -23.0193 17.4273 0.485101 -13.9668 0.293861 -23.3761 TIMING: 2649600 CPU: 7984.08, 0.00301423/step Wall: 7984.08, 0.00301423/step, 1.96796 hours remaining, 209.519531 MB of memory in use. ENERGY: 2649600 746.1854 2075.0442 1929.9195 99.0951 -205777.5474 17512.0913 0.0000 0.0000 34166.5095 -149248.7025 298.3846 -183415.2120 -149154.8556 298.8710 -217.5215 -190.4585 560209.7666 2.4269 2.2636 PRESSURE: 2649800 -61.312 -21.7353 5.21142 -21.7353 18.3327 -24.8807 5.21216 -24.881 218.407 GPRESSURE: 2649800 -63.77 -88.615 -12.6304 16.038 44.3162 -112.247 -56.5786 -37.7698 280.297 PRESSAVG: 2649800 15.0293 0.812383 -21.0681 0.812355 29.0443 -30.9952 -21.068 -30.9952 -65.9318 GPRESSAVG: 2649800 14.2521 0.848376 -20.9883 1.00015 30.8035 -32.1669 -20.4934 -29.5275 -66.7567 TIMING: 2649800 CPU: 7984.69, 0.00304535/step Wall: 7984.69, 0.00304535/step, 1.98811 hours remaining, 209.519531 MB of memory in use. ENERGY: 2649800 718.8554 2115.4354 1963.8807 118.2966 -206191.8098 17971.7342 0.0000 0.0000 34125.1759 -149178.4316 298.0236 -183303.6076 -149083.2919 298.8952 58.4759 86.9476 558964.0994 -7.2861 -7.2337 PRESSURE: 2650000 -67.0635 94.2562 163.589 94.2544 22.2575 -74.1568 163.589 -74.1574 -113.801 GPRESSURE: 2650000 25.9324 118.427 134.74 110.529 65.3444 -63.292 137.174 -25.8369 -148.716 PRESSAVG: 2650000 -1.81486 21.834 -59.6865 21.8339 34.3035 4.9178 -59.6866 4.91776 7.17125 GPRESSAVG: 2650000 -0.517686 21.3135 -60.1881 21.6811 33.2998 4.26922 -56.9066 6.62363 6.69255 TIMING: 2650000 CPU: 7985.3, 0.00303016/step Wall: 7985.3, 0.00303016/step, 1.97802 hours remaining, 209.519531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2650000 815.9155 2075.2086 1928.3223 122.7650 -206164.8240 17893.6173 0.0000 0.0000 34332.0216 -148996.9737 299.8301 -183328.9953 -148899.9323 299.8141 -52.8691 -19.1465 558214.5486 13.2200 13.1582 PRESSURE: 2650200 283.16 280.365 -7.03855 280.365 304.813 16.3494 -7.03981 16.3507 88.0431 GPRESSURE: 2650200 270.518 289.718 -4.74096 291.096 364.306 -24.0522 47.4738 43.5092 148.999 PRESSAVG: 2650200 -51.5716 35.6226 5.91691 35.6226 55.8171 -9.25997 5.91688 -9.26004 -23.4744 GPRESSAVG: 2650200 -52.0014 36.296 5.20335 36.2264 55.9294 -7.35499 4.73579 -12.2917 -22.742 TIMING: 2650200 CPU: 7985.9, 0.00301583/step Wall: 7985.9, 0.00301583/step, 1.9685 hours remaining, 209.519531 MB of memory in use. ENERGY: 2650200 725.4273 2087.8672 1923.0165 104.9526 -206729.3631 18350.6668 0.0000 0.0000 34591.7487 -148945.6840 302.0983 -183537.4327 -148844.5941 300.2674 225.3389 261.2744 557319.1369 -6.4096 -6.2714 PRESSURE: 2650400 21.6188 48.8129 88.6984 48.811 56.6102 96.4885 88.6992 96.4887 -73.9178 GPRESSURE: 2650400 70.1976 18.1544 166.924 119.313 81.7124 123.728 101.383 45.766 -55.941 PRESSAVG: 2650400 13.3546 10.2008 -47.7579 10.2008 80.8021 27.0225 -47.7579 27.0224 -63.125 GPRESSAVG: 2650400 12.7489 7.82744 -47.2592 8.56823 80.4754 26.516 -49.5317 28.0163 -62.177 TIMING: 2650400 CPU: 7986.5, 0.00297987/step Wall: 7986.5, 0.00297987/step, 1.94486 hours remaining, 209.519531 MB of memory in use. ENERGY: 2650400 738.5140 2134.4575 1954.4197 103.4448 -206197.4407 17766.6149 0.0000 0.0000 34519.0492 -148980.9407 301.4634 -183499.9899 -148881.4289 300.1384 1.4371 31.9897 558220.6850 10.3439 10.3491 PRESSURE: 2650600 -223.871 -114.054 -105.599 -114.055 130.483 28.6046 -105.598 28.6042 200.092 GPRESSURE: 2650600 -129.023 -45.5376 -144.553 -158.188 108.574 63.9358 -152.625 -14.6659 219.712 PRESSAVG: 2650600 19.896 -16.1358 -25.0898 -16.1358 64.0746 12.0738 -25.0898 12.0738 -44.7473 GPRESSAVG: 2650600 19.7545 -14.9133 -24.6686 -14.1312 63.9334 12.3709 -25.3436 11.0789 -45.338 TIMING: 2650600 CPU: 7987.1, 0.00300602/step Wall: 7987.1, 0.00300602/step, 1.96176 hours remaining, 209.519531 MB of memory in use. ENERGY: 2650600 732.6415 2082.1815 1928.0090 116.0396 -205760.2552 17847.3175 0.0000 0.0000 34079.7085 -148974.3576 297.6266 -183054.0661 -148883.3474 300.1376 35.5680 66.4208 557815.9712 13.0744 12.7833 PRESSURE: 2650800 -68.2948 -9.33775 34.9429 -9.33765 -267.606 13.632 34.9438 13.6318 -185.981 GPRESSURE: 2650800 -91.6179 -6.11076 29.7122 -36.4535 -232.439 89.5818 101.162 75.3087 -94.5296 PRESSAVG: 2650800 -12.0896 46.082 -59.6465 46.0819 21.5165 6.11355 -59.6465 6.11343 18.4511 GPRESSAVG: 2650800 -12.1836 47.9507 -58.551 45.2478 22.015 4.98902 -60.3139 7.93857 18.0623 TIMING: 2650800 CPU: 7987.71, 0.00304076/step Wall: 7987.71, 0.00304076/step, 1.98426 hours remaining, 209.519531 MB of memory in use. ENERGY: 2650800 743.1676 2102.4935 1937.4709 126.2331 -206037.6581 17637.4944 0.0000 0.0000 34340.3208 -149150.4778 299.9026 -183490.7987 -149053.4183 299.8935 -173.9604 -139.5289 558255.2343 9.2927 9.2979 PRESSURE: 2651000 -328.887 18.1763 -174.659 18.1752 -65.25 -1.86852 -174.659 -1.86765 -381.763 GPRESSURE: 2651000 -285.343 122.546 -162.326 -18.1629 -58.5955 -68.2165 -251.773 48.858 -345.065 PRESSAVG: 2651000 16.8662 4.99395 -29.1802 4.99402 -22.2007 -36.0844 -29.1801 -36.0845 64.3959 GPRESSAVG: 2651000 16.779 3.42388 -28.7642 5.25007 -22.8987 -35.4037 -28.7779 -35.5456 65.5593 TIMING: 2651000 CPU: 7988.31, 0.00303409/step Wall: 7988.31, 0.00303409/step, 1.97975 hours remaining, 209.519531 MB of memory in use. ENERGY: 2651000 768.1994 2080.7092 1946.2880 116.4209 -206011.4783 17644.1898 0.0000 0.0000 34236.1370 -149219.5339 298.9927 -183455.6709 -149122.7313 299.2739 -258.6334 -229.6679 558602.1549 19.6871 19.8132 PRESSURE: 2651200 150.698 111.422 35.0039 111.421 -37.3052 -73.2766 35.0036 -73.2787 -77.867 GPRESSURE: 2651200 181.37 97.9003 -64.4157 80.5049 49.6279 35.2082 108.686 -31.6364 -94.637 PRESSAVG: 2651200 -26.3273 11.5902 23.6154 11.5902 21.3344 8.71745 23.6155 8.7176 -20.7621 GPRESSAVG: 2651200 -27.436 14.0681 22.6583 10.8394 22.5209 8.55601 24.544 8.70263 -20.8954 TIMING: 2651200 CPU: 7988.92, 0.00304196/step Wall: 7988.92, 0.00304196/step, 1.98471 hours remaining, 209.519531 MB of memory in use. ENERGY: 2651200 725.4559 2107.9527 1963.7268 105.9770 -206334.4126 17926.6397 0.0000 0.0000 34420.4083 -149084.2521 300.6020 -183504.6605 -148989.3818 299.8743 11.8421 45.4538 558080.5196 -8.5850 -8.6035 PRESSURE: 2651400 167.644 125.952 82.7368 125.952 31.4016 37.3303 82.7368 37.3315 -183.904 GPRESSURE: 2651400 220.162 149.852 117.342 108.393 77.9119 25.3943 98.0966 1.63078 -183.304 PRESSAVG: 2651400 22.6504 -35.1559 -1.81318 -35.1559 -12.6581 14.9444 -1.81316 14.9443 -35.5164 GPRESSAVG: 2651400 24.1865 -36.089 -1.27501 -33.9092 -13.3233 13.7781 -2.52669 14.1686 -36.4772 TIMING: 2651400 CPU: 7989.53, 0.00301731/step Wall: 7989.53, 0.00301731/step, 1.96846 hours remaining, 209.519531 MB of memory in use. ENERGY: 2651400 740.5480 2083.7650 1948.9727 114.4637 -206236.9645 17937.6247 0.0000 0.0000 34220.3401 -149191.2503 298.8547 -183411.5904 -149096.1878 299.6145 5.0473 38.2566 558608.6303 -8.5080 -8.5380 PRESSURE: 2651600 273.637 -2.4243 -33.6583 -2.42385 -51.4876 -113.405 -33.6592 -113.406 -88.4793 GPRESSURE: 2651600 239.614 -3.96348 -27.8246 -38.1569 -3.7621 -162.256 62.5684 -107.115 0.0637945 PRESSAVG: 2651600 67.977 -3.18076 -2.36942 -3.18084 -13.1585 32.9796 -2.36945 32.9797 -54.0831 GPRESSAVG: 2651600 67.404 -3.85544 0.713759 -2.53068 -13.0368 33.7396 -3.61433 31.4828 -53.9199 TIMING: 2651600 CPU: 7990.13, 0.00301004/step Wall: 7990.13, 0.00301004/step, 1.96355 hours remaining, 209.519531 MB of memory in use. ENERGY: 2651600 727.5044 2075.2351 1940.9778 101.6378 -206184.7488 17926.4798 0.0000 0.0000 34317.4667 -149095.4472 299.7030 -183412.9139 -149003.7521 300.0518 44.5566 78.6387 557785.4922 0.2451 0.1491 PRESSURE: 2651800 292.249 56.3504 113.755 56.3492 -218.559 171.003 113.756 171.003 21.657 GPRESSURE: 2651800 312.991 -1.90193 74.3538 77.2334 -234.917 216.65 6.44448 118.229 118.535 PRESSAVG: 2651800 -9.59259 46.1923 17.9524 46.1922 10.3599 1.85667 17.9524 1.85666 28.7443 GPRESSAVG: 2651800 -9.08784 46.3763 13.484 46.7104 9.42313 3.07478 19.2666 1.16338 28.8914 TIMING: 2651800 CPU: 7990.73, 0.00298901/step Wall: 7990.73, 0.00298901/step, 1.94966 hours remaining, 209.519531 MB of memory in use. ENERGY: 2651800 751.8734 2094.6307 1916.0928 109.5793 -206370.0136 17869.8263 0.0000 0.0000 34469.8694 -149158.1418 301.0339 -183628.0112 -149062.6668 299.3532 31.7822 65.5364 556312.1954 9.8372 9.7422 PRESSURE: 2652000 263.829 -148.872 194.79 -148.872 191.339 154.109 194.789 154.11 110.722 GPRESSURE: 2652000 331.757 -233.755 165.488 -114.119 218.448 181.446 178.467 160.236 111.632 PRESSAVG: 2652000 16.2559 20.7154 27.9836 20.7154 39.1189 7.67474 27.9837 7.67481 -65.396 GPRESSAVG: 2652000 15.5502 20.6619 28.7223 18.0075 40.1964 7.42104 26.4698 8.32625 -65.9212 TIMING: 2652000 CPU: 7991.33, 0.00299764/step Wall: 7991.33, 0.00299764/step, 1.95513 hours remaining, 209.519531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2652000 756.6411 2126.3007 1942.0424 108.0195 -206521.4642 18206.0396 0.0000 0.0000 34078.8969 -149303.5240 297.6195 -183382.4209 -149208.7216 299.3253 188.6299 220.6123 556339.1335 -3.3404 -3.3915 PRESSURE: 2652200 -94.5046 -16.1207 47.8283 -16.1196 -301.434 116.003 47.8279 116.004 -239.974 GPRESSURE: 2652200 -12.1023 61.6395 33.6257 -60.994 -294.59 20.0609 56.5522 93.5329 -218.675 PRESSAVG: 2652200 23.4812 4.23251 9.5619 4.23255 2.64741 61.5467 9.56192 61.5467 -2.58042 GPRESSAVG: 2652200 23.4753 7.76418 8.00295 4.48739 2.12914 60.1602 11.9328 62.9122 -1.23989 TIMING: 2652200 CPU: 7991.92, 0.002994/step Wall: 7991.92, 0.002994/step, 1.95259 hours remaining, 209.519531 MB of memory in use. ENERGY: 2652200 721.2996 2048.3852 1944.6414 108.1192 -206008.4782 17589.6033 0.0000 0.0000 34325.1830 -149271.2465 299.7704 -183596.4295 -149171.4427 299.1796 -211.9707 -175.1225 558141.7156 7.8494 8.1215 LDB: ============= START OF LOAD BALANCING ============== 7995.44 LDB: ============== END OF LOAD BALANCING =============== 7995.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7995.45 LDB: ============= START OF LOAD BALANCING ============== 7995.75 LDB: Largest compute 4801 load 0.024769 is 21.0% of average load 0.118128 LDB: Average compute 0.001715 is 1.5% of average load 0.118128 LDB: TIME 7995.75 LOAD: AVG 0.118128 MAX 0.209675 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.363 MB LDB: TIME 7995.75 LOAD: AVG 0.118128 MAX 0.209675 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.434 MB LDB: TIME 7995.75 LOAD: AVG 0.118128 MAX 0.209675 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.434 MB LDB: ============== END OF LOAD BALANCING =============== 7995.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 7995.76 Info: useSync: 0 useProxySync: 0 PRESSURE: 2652400 52.8753 -5.61715 92.3902 -5.61745 15.1214 144.961 92.3908 144.961 -50.9282 GPRESSURE: 2652400 43.4738 31.3298 107.297 -92.9784 7.61748 172.602 76.3035 127.007 70.1067 PRESSAVG: 2652400 -45.2837 20.522 -32.0725 20.522 -15.5535 56.453 -32.0726 56.4531 13.5973 GPRESSAVG: 2652400 -45.1563 17.0547 -30.5248 23.3854 -15.039 55.228 -33.8208 57.3533 12.9761 TIMING: 2652400 CPU: 7992.54, 0.00307604/step Wall: 7992.54, 0.00307604/step, 2.00592 hours remaining, 209.054688 MB of memory in use. ENERGY: 2652400 690.8903 2075.9848 1913.0759 112.5741 -206153.0377 17713.6239 0.0000 0.0000 34383.3295 -149263.5592 300.2782 -183646.8887 -149168.8712 299.4873 5.6895 40.3993 556830.8268 -15.7466 -15.7397 PRESSURE: 2652600 -47.1774 -14.99 102.107 -14.9903 4.27342 -59.1402 102.106 -59.1401 139.506 GPRESSURE: 2652600 -82.1606 -89.2836 74.6993 9.13929 118.42 -104.959 119.478 15.6276 157.926 PRESSAVG: 2652600 12.4717 -38.5098 -3.35563 -38.5098 9.00346 42.3706 -3.35558 42.3707 12.2061 GPRESSAVG: 2652600 11.3929 -39.62 -1.86252 -38.9144 10.3842 44.1746 -4.46017 42.394 11.3956 TIMING: 2652600 CPU: 7993.14, 0.0030071/step Wall: 7993.14, 0.0030071/step, 1.9608 hours remaining, 209.257812 MB of memory in use. ENERGY: 2652600 733.6775 2088.3160 1923.0819 113.5859 -206377.7323 17897.9986 0.0000 0.0000 34474.4562 -149146.6161 301.0740 -183621.0723 -149050.6209 299.6607 32.2006 64.7285 555097.5143 11.2271 11.0576 PRESSURE: 2652800 25.6032 201.114 27.5938 201.115 -98.2895 203.413 27.5954 203.413 -4.24829 GPRESSURE: 2652800 96.2443 239.522 -26.6546 128.465 -81.8199 134.496 74.9927 236.587 13.5034 PRESSAVG: 2652800 9.08984 -29.9355 -19.4455 -29.9355 20.0161 28.9951 -19.4455 28.995 9.1727 GPRESSAVG: 2652800 9.90189 -28.6409 -20.8091 -30.8992 18.2356 29.4421 -16.8526 27.9823 9.55401 TIMING: 2652800 CPU: 7993.75, 0.00304484/step Wall: 7993.75, 0.00304484/step, 1.98523 hours remaining, 209.257812 MB of memory in use. ENERGY: 2652800 716.9738 2083.2527 1944.5743 106.3113 -205989.8534 17612.4813 0.0000 0.0000 34236.0885 -149290.1715 298.9923 -183526.2600 -149193.1607 299.6542 -25.6449 9.3093 556175.9970 12.7595 12.5639 PRESSURE: 2653000 87.4748 -80.4034 103.701 -80.4029 8.37647 40.8865 103.7 40.8845 119.425 GPRESSURE: 2653000 105.087 -45.699 82.3578 -187.336 62.519 -57.2069 -10.9804 66.587 130.504 PRESSAVG: 2653000 39.2087 -3.88185 3.19125 -3.88181 47.4615 37.4681 3.19123 37.4681 -58.7526 GPRESSAVG: 2653000 38.8955 -5.45799 5.69331 -3.88079 46.8472 37.1735 1.33543 38.675 -57.5332 TIMING: 2653000 CPU: 7994.35, 0.00298294/step Wall: 7994.35, 0.00298294/step, 1.94471 hours remaining, 209.257812 MB of memory in use. ENERGY: 2653000 752.1342 2054.9371 1922.6543 112.5410 -206195.5868 17906.1453 0.0000 0.0000 34256.9715 -149190.2034 299.1747 -183447.1749 -149105.5706 299.0464 71.7589 99.3702 556383.1277 9.3059 9.4032 PRESSURE: 2653200 -165.543 -109.313 175.994 -109.313 -106.566 -32.2211 175.994 -32.2219 217.782 GPRESSURE: 2653200 -120.197 -113.093 154.699 -69.6914 -106.16 59.4776 196.471 -54.2313 257.041 PRESSAVG: 2653200 70.9479 -57.4454 44.3338 -57.4454 -10.4854 4.44871 44.3338 4.44868 -22.2688 GPRESSAVG: 2653200 71.7422 -56.3833 42.7197 -55.895 -10.7558 3.79247 46.4252 3.73543 -22.9907 TIMING: 2653200 CPU: 7994.94, 0.00296326/step Wall: 7994.94, 0.00296326/step, 1.93171 hours remaining, 209.257812 MB of memory in use. ENERGY: 2653200 742.3198 2122.1210 1952.9429 111.5712 -206396.0317 17826.1688 0.0000 0.0000 34361.0127 -149279.8953 300.0833 -183640.9080 -149177.8403 299.9614 -18.1091 10.2281 555775.1331 12.7312 12.6652 PRESSURE: 2653400 72.2606 -77.8481 134.09 -77.8483 -36.6462 -30.2827 134.089 -30.2827 -123.43 GPRESSURE: 2653400 99.7969 -17.7961 93.1452 -86.5903 8.61128 43.8182 239.51 -100.833 -90.7028 PRESSAVG: 2653400 31.4318 8.28616 17.723 8.28616 -53.5645 1.96229 17.723 1.96217 -23.0913 GPRESSAVG: 2653400 31.0906 7.33271 18.6475 7.61747 -53.3001 0.784746 17.8154 3.92722 -22.5442 TIMING: 2653400 CPU: 7995.54, 0.00298533/step Wall: 7995.54, 0.00298533/step, 1.94594 hours remaining, 209.460938 MB of memory in use. ENERGY: 2653400 752.5827 2082.7180 1919.5908 107.7102 -206110.3198 17756.8409 0.0000 0.0000 34218.9149 -149271.9623 298.8423 -183490.8773 -149178.8718 299.1410 -29.2720 5.9018 557483.8533 -15.0747 -14.9179 PRESSURE: 2653600 54.9076 -44.7557 79.5176 -44.7554 70.5352 -44.648 79.5176 -44.6486 15.9999 GPRESSURE: 2653600 87.6742 -128.099 116.505 -9.97811 122.058 -26.5959 74.201 -64.0542 17.5148 PRESSAVG: 2653600 31.271 -22.4245 51.7603 -22.4244 -2.57835 -22.6291 51.7604 -22.6291 -43.076 GPRESSAVG: 2653600 32.4659 -21.3266 49.7287 -22.1169 -2.4528 -21.7954 51.6441 -23.5215 -44.6595 TIMING: 2653600 CPU: 7996.13, 0.00298202/step Wall: 7996.13, 0.00298202/step, 1.94362 hours remaining, 209.460938 MB of memory in use. ENERGY: 2653600 778.8549 2114.9204 1919.8818 111.9476 -205953.6923 17724.4636 0.0000 0.0000 34116.4694 -149187.1544 297.9476 -183303.6239 -149089.3841 298.7662 47.1476 75.7490 556492.1902 -4.7945 -4.8822 PRESSURE: 2653800 1.77161 -107.013 -15.466 -107.013 -25.6265 249.255 -15.4648 249.256 -102.746 GPRESSURE: 2653800 26.503 -127.924 -2.92827 -39.2982 -21.6884 228.508 -48.2674 198.361 -32.0691 PRESSAVG: 2653800 -3.63919 -33.1538 37.576 -33.1538 -2.72642 29.8145 37.576 29.8145 21.9715 GPRESSAVG: 2653800 -4.79859 -34.5245 39.7473 -32.904 -3.00773 28.7212 37.9531 28.8435 22.8561 TIMING: 2653800 CPU: 7996.74, 0.00302573/step Wall: 7996.74, 0.00302573/step, 1.97193 hours remaining, 209.460938 MB of memory in use. ENERGY: 2653800 753.2949 2057.1757 1944.6351 105.9146 -206383.6809 17899.8217 0.0000 0.0000 34446.5407 -149176.2981 300.8302 -183622.8388 -149086.8248 299.4961 -42.2004 -9.0848 556091.9657 5.2020 5.0166 PRESSURE: 2654000 -138.323 3.03397 109.66 3.03369 165 -138.075 109.66 -138.077 141.6 GPRESSURE: 2654000 -54.066 5.57917 102.251 -23.4741 171.258 -82.515 137.473 -170.432 151.047 PRESSAVG: 2654000 -2.27143 -22.5915 3.58897 -22.5915 23.291 -1.72457 3.58901 -1.72448 -41.1218 GPRESSAVG: 2654000 -2.81817 -21.4162 1.23118 -21.6774 24.1862 0.504437 2.35138 -3.50434 -41.5072 TIMING: 2654000 CPU: 7997.34, 0.0030129/step Wall: 7997.34, 0.0030129/step, 1.96341 hours remaining, 209.460938 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: 2654000 745.9500 2037.0447 1947.9710 120.1398 -206496.8339 18013.4937 0.0000 0.0000 34347.1597 -149285.0750 299.9623 -183632.2347 -149192.3342 299.9691 56.0919 89.4131 558591.4789 -6.7007 -6.7131 PRESSURE: 2654200 -444.621 155.11 -39.1516 155.109 -7.07437 -166.798 -39.1516 -166.798 -299.411 GPRESSURE: 2654200 -371.126 122.824 -69.9258 190.67 -14.8091 -188.363 7.88987 -162.253 -269.845 PRESSAVG: 2654200 21.2507 12.2251 17.219 12.2251 26.8321 -12.7731 17.219 -12.7732 -20.7902 GPRESSAVG: 2654200 22.4792 12.625 17.5098 10.9884 26.6764 -14.2566 17.3153 -11.2389 -21.548 TIMING: 2654200 CPU: 7997.94, 0.00299712/step Wall: 7997.94, 0.00299712/step, 1.95296 hours remaining, 209.460938 MB of memory in use. ENERGY: 2654200 792.8864 2105.6138 1952.4590 126.4131 -205962.3438 17552.8629 0.0000 0.0000 34361.3676 -149070.7411 300.0864 -183432.1087 -148968.6157 299.6640 -250.3689 -218.5934 558107.7779 9.0975 9.2025 PRESSURE: 2654400 -41.7122 -67.4975 -84.2343 -67.4974 -204.095 -50.9708 -84.2342 -50.9704 -46.44 GPRESSURE: 2654400 46.3346 -55.0758 -103.003 -73.5365 -236.255 14.4595 -76.29 -42.9514 -7.65197 PRESSAVG: 2654400 40.0391 29.8974 -54.1835 29.8974 -2.67863 2.51794 -54.1836 2.51783 17.2203 GPRESSAVG: 2654400 39.0044 29.2531 -54.4918 30.2055 -2.78969 1.6452 -53.4814 5.6787 18.324 TIMING: 2654400 CPU: 7998.54, 0.0029849/step Wall: 7998.54, 0.0029849/step, 1.94483 hours remaining, 209.460938 MB of memory in use. ENERGY: 2654400 765.9596 2082.1012 1951.5780 114.4914 -206168.2243 17726.4195 0.0000 0.0000 34410.2393 -149117.4352 300.5132 -183527.6746 -149016.8662 300.0501 -97.4156 -65.8575 558604.8503 18.1936 18.1796 PRESSURE: 2654600 -49.0549 135.525 39.6932 135.525 -86.6496 -80.3515 39.6934 -80.3506 -6.1326 GPRESSURE: 2654600 -7.82202 133.972 35.6656 120.752 -112.957 -74.7077 95.0239 -201.682 90.2115 PRESSAVG: 2654600 56.2706 1.53719 60.1911 1.53725 -58.1633 6.56363 60.1911 6.56353 6.84864 GPRESSAVG: 2654600 55.072 2.19714 60.925 0.305758 -57.3783 7.3147 60.9753 4.7033 7.36822 TIMING: 2654600 CPU: 7999.14, 0.00302566/step Wall: 7999.14, 0.00302566/step, 1.97121 hours remaining, 209.460938 MB of memory in use. ENERGY: 2654600 764.0031 2108.3883 1932.4399 120.2049 -206535.2293 17930.4431 0.0000 0.0000 34536.5816 -149143.1684 301.6166 -183679.7500 -149043.2374 300.6097 -47.2790 -10.1892 557104.5955 1.6520 1.6873 PRESSURE: 2654800 130.814 160.441 186.154 160.442 -54.0729 42.0128 186.154 42.0129 92.6018 GPRESSURE: 2654800 186.546 171.821 215.149 117.915 2.08643 0.551231 193.214 18.203 85.5986 PRESSAVG: 2654800 52.4222 18.3964 23.5627 18.3964 -39.2109 -57.6732 23.5626 -57.6734 -8.02729 GPRESSAVG: 2654800 54.0923 18.826 24.5485 17.9126 -40.3583 -57.1629 22.5383 -58.8874 -8.38322 TIMING: 2654800 CPU: 7999.75, 0.00303117/step Wall: 7999.75, 0.00303117/step, 1.97464 hours remaining, 209.472656 MB of memory in use. ENERGY: 2654800 734.0615 2117.2646 1937.2589 127.6220 -206110.4033 17798.5087 0.0000 0.0000 34190.4497 -149205.2378 298.5937 -183395.6875 -149106.5716 299.3332 56.4475 91.4102 557895.5930 1.7280 1.7836 PRESSURE: 2655000 -270.802 52.2403 -154.898 52.2389 152.832 -35.8325 -154.898 -35.8322 -173.98 GPRESSURE: 2655000 -239.889 -12.217 -225.952 106.018 139.701 -78.8895 -152.913 -1.9124 -99.778 PRESSAVG: 2655000 41.3229 64.1625 8.32764 64.1626 -15.9364 -42.0201 8.32769 -42.0201 -30.4109 GPRESSAVG: 2655000 41.2369 64.9378 5.69897 63.1852 -15.8115 -43.1087 9.85483 -42.0837 -30.2825 TIMING: 2655000 CPU: 8000.35, 0.00302569/step Wall: 8000.35, 0.00302569/step, 1.9709 hours remaining, 209.472656 MB of memory in use. ENERGY: 2655000 736.3046 2133.2768 1940.9606 115.7021 -206164.8105 17692.0387 0.0000 0.0000 34173.0951 -149373.4325 298.4421 -183546.5277 -149269.1987 298.6299 -97.3168 -66.6554 557253.8057 -1.6748 -1.6190 PRESSURE: 2655200 313.68 280.253 -84.8182 280.253 91.1835 -141.938 -84.8197 -141.937 146.722 GPRESSURE: 2655200 288.56 261.583 -163.488 241.509 147.581 -186.387 -100.714 -138.909 200.9 PRESSAVG: 2655200 -11.2227 -10.9197 22.4345 -10.9196 5.80165 -55.5325 22.4345 -55.5325 -4.33484 GPRESSAVG: 2655200 -10.7491 -14.4525 24.6713 -7.86388 6.15839 -53.3932 21.0108 -54.753 -5.32362 TIMING: 2655200 CPU: 8000.96, 0.00302276/step Wall: 8000.96, 0.00302276/step, 1.96883 hours remaining, 209.472656 MB of memory in use. ENERGY: 2655200 691.2147 2044.9312 1929.8205 122.3027 -206356.9232 17862.1984 0.0000 0.0000 34364.9322 -149341.5235 300.1175 -183706.4557 -149243.7702 298.4817 183.8621 212.3468 556794.6597 -3.2520 -3.3048 PRESSURE: 2655400 0.232796 -135.267 -123.763 -135.267 115.57 65.8078 -123.765 65.8072 -32.9554 GPRESSURE: 2655400 57.2891 -188.532 -72.7999 -118.028 117.542 72.5151 -230.279 27.5524 7.16088 PRESSAVG: 2655400 4.87488 22.4396 -15.8539 22.4396 -13.1795 -10.0548 -15.854 -10.0549 18.3371 GPRESSAVG: 2655400 3.6882 23.3532 -16.7331 21.7914 -11.8073 -10.6112 -16.9096 -9.10018 18.2174 TIMING: 2655400 CPU: 8001.57, 0.00303731/step Wall: 8001.57, 0.00303731/step, 1.97813 hours remaining, 209.472656 MB of memory in use. ENERGY: 2655400 750.8179 2090.1035 1936.4276 101.8346 -206342.6197 17871.2593 0.0000 0.0000 34280.4574 -149311.7195 299.3798 -183592.1769 -149218.4954 299.0327 27.6159 60.6639 557651.7332 3.3441 3.3661 PRESSURE: 2655600 -203.233 -77.8743 -43.8782 -77.8739 -506.819 92.173 -43.8789 92.1746 -37.6177 GPRESSURE: 2655600 -137.292 -48.0862 -102.813 -125.017 -415.74 82.1469 46.7567 70.0722 -106.122 PRESSAVG: 2655600 -17.7062 -31.2048 16.3162 -31.2049 -17.0419 -20.7415 16.3162 -20.7414 45.7602 GPRESSAVG: 2655600 -17.4696 -29.4972 16.6869 -32.955 -16.9763 -22.8311 16.9392 -22.2425 45.4053 TIMING: 2655600 CPU: 8002.17, 0.00302424/step Wall: 8002.17, 0.00302424/step, 1.96945 hours remaining, 209.472656 MB of memory in use. ENERGY: 2655600 784.3446 2055.3655 1950.7504 108.3719 -205890.1921 17540.9930 0.0000 0.0000 33984.3403 -149466.0264 296.7937 -183450.3667 -149365.2479 298.8002 -249.2230 -219.7181 557353.5241 3.6707 3.6531 PRESSURE: 2655800 -51.3645 -46.2952 -72.7748 -46.2958 109.109 172.272 -72.7747 172.272 -30.9808 GPRESSURE: 2655800 -12.4734 -76.5241 -79.4913 -94.9817 139.828 157.432 -80.1832 162.301 -17.5627 PRESSAVG: 2655800 -28.0378 4.28667 44.2137 4.28676 -41.2265 30.6234 44.2137 30.6233 37.8304 GPRESSAVG: 2655800 -27.6419 2.19321 45.3472 5.3582 -42.2356 31.9567 43.2783 32.2786 38.2361 TIMING: 2655800 CPU: 8002.78, 0.00303314/step Wall: 8002.78, 0.00303314/step, 1.97508 hours remaining, 209.472656 MB of memory in use. ENERGY: 2655800 752.9982 2080.7459 1963.1312 130.7716 -206576.2716 17921.5310 0.0000 0.0000 34259.4054 -149467.6882 299.1959 -183727.0936 -149374.9080 298.2008 8.9212 36.5972 557681.6366 -10.4779 -10.5471 PRESSURE: 2656000 -247.296 -47.7529 81.293 -47.7533 -187.724 1.66949 81.2924 1.66896 -112.839 GPRESSURE: 2656000 -192.325 -119.527 77.4414 31.453 -181.165 -99.7969 102.258 -25.442 -90.9832 PRESSAVG: 2656000 -61.8042 20.4731 22.4124 20.4732 56.8057 -12.1212 22.4124 -12.1213 -4.43706 GPRESSAVG: 2656000 -61.3775 23.4608 19.978 19.2892 57.1719 -13.8792 23.3431 -12.8723 -5.53669 TIMING: 2656000 CPU: 8003.38, 0.00303674/step Wall: 8003.38, 0.00303674/step, 1.97726 hours remaining, 209.472656 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: 2656000 769.5227 2065.7373 1938.2746 109.0649 -206331.6568 17712.4238 0.0000 0.0000 34342.4148 -149394.2187 299.9208 -183736.6334 -149295.8475 299.0870 -182.6198 -154.8244 558577.6591 -3.1452 -3.2474 PRESSURE: 2656200 71.3875 -97.299 -25.8373 -97.297 -165.194 -25.9882 -25.8373 -25.989 234.904 GPRESSURE: 2656200 78.5421 -69.9825 -15.8872 -54.6761 -125.66 18.1487 -11.1734 -86.2969 289.65 PRESSAVG: 2656200 -37.88 -0.478811 27.2933 -0.478916 45.5069 -43.3752 27.2934 -43.3752 17.1842 GPRESSAVG: 2656200 -38.8063 -2.14473 28.8537 -0.447839 45.2076 -41.8318 27.2508 -44.1215 18.1582 TIMING: 2656200 CPU: 8004, 0.00306084/step Wall: 8004, 0.00306084/step, 1.99278 hours remaining, 209.472656 MB of memory in use. ENERGY: 2656200 729.8022 2103.6347 1942.1095 112.2546 -206238.6742 17679.9705 0.0000 0.0000 34320.6529 -149350.2498 299.7308 -183670.9027 -149260.8722 298.6315 47.0323 80.8441 556438.8316 8.2704 8.1865 LDB: ============= START OF LOAD BALANCING ============== 8007.51 LDB: ============== END OF LOAD BALANCING =============== 8007.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8007.51 LDB: ============= START OF LOAD BALANCING ============== 8007.81 LDB: Largest compute 4801 load 0.025249 is 21.4% of average load 0.118112 LDB: Average compute 0.001715 is 1.5% of average load 0.118112 LDB: TIME 8007.82 LOAD: AVG 0.118112 MAX 0.212707 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.77 MB LDB: TIME 8007.82 LOAD: AVG 0.118112 MAX 0.212707 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.973 MB LDB: TIME 8007.82 LOAD: AVG 0.118112 MAX 0.212707 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.973 MB LDB: ============== END OF LOAD BALANCING =============== 8007.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8007.82 PRESSURE: 2656400 128.051 -48.3008 -110.139 -48.3009 101.635 -12.619 -110.138 -12.6201 149.695 GPRESSURE: 2656400 152.702 13.1198 -61.2367 -116.869 109.807 55.9625 -138.21 33.8671 223.39 PRESSAVG: 2656400 -22.012 13.8947 33.9314 13.8949 14.4877 1.82935 33.9315 1.82942 44.052 GPRESSAVG: 2656400 -22.4631 14.1402 32.4494 13.9847 14.9046 0.967667 32.753 2.75597 43.9575 TIMING: 2656400 CPU: 8004.61, 0.00304738/step Wall: 8004.61, 0.00304738/step, 1.98384 hours remaining, 209.257812 MB of memory in use. ENERGY: 2656400 754.6892 2118.5016 1966.2020 113.7287 -206650.7922 18089.7955 0.0000 0.0000 34176.2646 -149431.6107 298.4698 -183607.8753 -149339.6782 299.5104 126.4604 161.9662 556810.3197 12.1759 12.1330 PRESSURE: 2656600 -1.35525 -49.9957 -108.159 -49.9976 20.9969 -155.95 -108.159 -155.951 -43.0911 GPRESSURE: 2656600 13.0855 -20.6843 -138.255 -18.6894 14.5337 -166.734 -161.293 -172.532 45.4472 PRESSAVG: 2656600 -13.4521 4.37292 43.5712 4.37289 -78.6619 33.9728 43.5712 33.9729 123.123 GPRESSAVG: 2656600 -14.5786 3.72247 42.3639 6.73546 -77.6479 36.2561 46.041 32.8863 123.087 TIMING: 2656600 CPU: 8005.21, 0.00301042/step Wall: 8005.21, 0.00301042/step, 1.95962 hours remaining, 209.257812 MB of memory in use. ENERGY: 2656600 716.0246 2054.2494 1953.2495 113.6045 -206398.7148 17904.5524 0.0000 0.0000 34084.7069 -149572.3275 297.6702 -183657.0344 -149475.8263 298.2212 -7.8165 24.3555 558458.7168 10.3362 10.2867 PRESSURE: 2656800 -258.05 20.1688 -36.188 20.1696 -110.899 212.664 -36.1865 212.664 -107.512 GPRESSURE: 2656800 -191.878 13.7701 -43.9391 -16.8139 -80.1316 153.322 -21.7567 226.075 -96.3478 PRESSAVG: 2656800 -60.2225 -11.7165 -11.2986 -11.7166 42.3767 49.8239 -11.2986 49.8238 -8.32437 GPRESSAVG: 2656800 -58.5974 -10.5627 -9.24032 -12.5746 41.7753 47.8784 -13.0292 52.0225 -9.56915 TIMING: 2656800 CPU: 8005.81, 0.00301862/step Wall: 8005.81, 0.00301862/step, 1.96478 hours remaining, 209.257812 MB of memory in use. ENERGY: 2656800 746.9759 2057.0263 1960.5748 125.4323 -206324.0671 17634.9406 0.0000 0.0000 34317.5615 -149481.5557 299.7038 -183799.1172 -149379.7243 298.5294 -158.8204 -122.7857 558635.3873 -8.7234 -8.7971 PRESSURE: 2657000 41.3834 -53.8212 -26.4831 -53.8203 42.1653 -71.2594 -26.4838 -71.2592 -41.2273 GPRESSURE: 2657000 67.6987 -146.418 -19.2577 -94.7161 50.7853 -100.428 -10.7259 -24.6091 13.8876 PRESSAVG: 2657000 2.84208 44.9471 56.5893 44.9471 35.4316 2.83092 56.5892 2.83105 -3.66092 GPRESSAVG: 2657000 1.62974 44.735 55.1576 42.4577 36.2847 3.35431 57.0707 1.4683 -3.22928 TIMING: 2657000 CPU: 8006.42, 0.0030306/step Wall: 8006.42, 0.0030306/step, 1.97241 hours remaining, 209.257812 MB of memory in use. ENERGY: 2657000 730.2830 2073.4997 1931.6616 116.8481 -206483.7205 17714.0882 0.0000 0.0000 34278.7739 -149638.5660 299.3651 -183917.3399 -149538.0326 298.3313 14.1071 44.1238 555989.4376 11.5376 11.5617 PRESSURE: 2657200 181.297 82.9537 -15.1631 82.9535 35.8575 -64.1258 -15.1647 -64.1265 -276.503 GPRESSURE: 2657200 245.089 78.2841 -18.3983 71.3839 49.4322 -67.3736 -0.114651 -106.935 -253.701 PRESSAVG: 2657200 34.5376 34.2688 22.6354 34.2688 21.2747 -11.1385 22.6356 -11.1385 -35.3342 GPRESSAVG: 2657200 33.9844 32.0202 22.5493 37.1915 21.2598 -10.5983 21.8349 -12.098 -35.2542 TIMING: 2657200 CPU: 8007.03, 0.00304053/step Wall: 8007.03, 0.00304053/step, 1.97871 hours remaining, 209.257812 MB of memory in use. ENERGY: 2657200 749.1075 2059.3590 1930.7953 104.5706 -206416.0140 17832.4398 0.0000 0.0000 34041.0688 -149698.6730 297.2891 -183739.7419 -149598.9231 297.8611 -19.7829 13.6068 556608.7144 6.8260 6.6633 PRESSURE: 2657400 212.968 22.1113 41.2967 22.1126 -103.637 46.5821 41.2978 46.5817 -28.5031 GPRESSURE: 2657400 227.587 91.2726 -48.1701 23.8886 -70.6679 -52.261 129.491 69.2301 16.6632 PRESSAVG: 2657400 -31.0912 69.096 7.09957 69.096 62.7911 50.3553 7.09956 50.3554 -74.0576 GPRESSAVG: 2657400 -30.664 69.721 5.63244 68.3478 61.5129 47.8659 7.69284 52.95 -73.5375 TIMING: 2657400 CPU: 8007.63, 0.00301344/step Wall: 8007.63, 0.00301344/step, 1.96091 hours remaining, 209.257812 MB of memory in use. ENERGY: 2657400 718.8850 2084.1974 1938.3902 104.0943 -206761.3622 18054.1882 0.0000 0.0000 34043.0378 -149818.5693 297.3063 -183861.6071 -149719.3569 297.4656 26.9423 57.8607 557211.8648 -14.1192 -14.2296 PRESSURE: 2657600 -99.6808 -102.264 -107.387 -102.263 -85.1502 9.19918 -107.386 9.19939 125.326 GPRESSURE: 2657600 -68.1694 -75.9682 -25.8831 -108.878 -113.914 -26.9597 -139.592 6.85863 199.14 PRESSAVG: 2657600 -8.54003 4.28947 71.9504 4.28953 38.1361 -10.5206 71.9504 -10.5206 -21.0193 GPRESSAVG: 2657600 -9.27737 7.46583 73.8393 2.07365 38.4116 -10.5609 72.0014 -9.85552 -21.0939 TIMING: 2657600 CPU: 8008.23, 0.00302043/step Wall: 8008.23, 0.00302043/step, 1.96529 hours remaining, 209.257812 MB of memory in use. ENERGY: 2657600 756.3258 2047.3027 1928.9873 115.5798 -206331.2558 17827.6718 0.0000 0.0000 34196.9071 -149458.4813 298.6501 -183655.3884 -149356.6435 297.9378 -19.8350 5.6857 558044.1339 2.8589 2.6801 PRESSURE: 2657800 -306.236 -11.5718 17.4556 -11.5715 -34.4593 46.612 17.455 46.611 -92.8815 GPRESSURE: 2657800 -275.768 -23.8405 61.8871 24.2752 1.30121 74.9739 69.1106 16.9135 -78.513 PRESSAVG: 2657800 21.7501 76.1646 -4.74896 76.1645 16.8981 2.46672 -4.74905 2.46681 -17.6509 GPRESSAVG: 2657800 22.7317 74.5275 -3.85045 79.4066 16.6526 3.70819 -4.29297 -0.543505 -19.5337 TIMING: 2657800 CPU: 8008.83, 0.00300951/step Wall: 8008.83, 0.00300951/step, 1.95802 hours remaining, 209.460938 MB of memory in use. ENERGY: 2657800 738.9816 2039.1200 1911.4415 117.3230 -206050.9181 17656.7755 0.0000 0.0000 34002.1383 -149585.1381 296.9491 -183587.2764 -149488.1145 298.8442 -144.5256 -117.6600 558732.3285 6.9991 6.6169 PRESSURE: 2658000 -106.355 27.2021 -126.077 27.202 -103.439 84.093 -126.076 84.0943 -170.899 GPRESSURE: 2658000 -18.4492 22.9073 -188.031 15.9002 -94.7973 140.311 -103.354 -23.0262 -155.753 PRESSAVG: 2658000 41.8751 2.63018 -6.87028 2.63025 -56.8574 62.9352 -6.87018 62.9352 -23.7333 GPRESSAVG: 2658000 41.2751 1.76411 -6.63772 2.46623 -56.8569 61.4804 -7.08134 65.0623 -23.1711 TIMING: 2658000 CPU: 8009.44, 0.0030254/step Wall: 8009.44, 0.0030254/step, 1.96819 hours remaining, 209.460938 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: 2658000 745.2478 2045.4176 1899.3006 101.4220 -206172.3665 17680.5348 0.0000 0.0000 34215.9736 -149484.4701 298.8166 -183700.4436 -149385.7901 299.0369 -126.8976 -89.6664 558277.5489 -12.9052 -12.9177 PRESSURE: 2658200 -11.7927 93.9882 6.5899 93.9879 80.3209 132.261 6.58992 132.261 -118.444 GPRESSURE: 2658200 19.6186 124.091 -54.328 49.9271 77.321 201.312 -79.0424 81.3971 -51.4188 PRESSAVG: 2658200 9.94338 36.4977 50.4868 36.4977 -30.2296 93.1211 50.4869 93.1212 -9.13455 GPRESSAVG: 2658200 8.59041 37.8612 50.307 34.179 -28.8103 94.4562 49.1402 91.6893 -9.43762 TIMING: 2658200 CPU: 8010.04, 0.00297508/step Wall: 8010.04, 0.00297508/step, 1.93529 hours remaining, 209.460938 MB of memory in use. ENERGY: 2658200 722.6613 2031.9409 1910.1727 100.0763 -206611.0223 17851.7659 0.0000 0.0000 34279.2489 -149715.1562 299.3692 -183994.4052 -149617.7033 298.7231 -16.6385 15.1736 556300.0661 -9.8069 -9.8858 PRESSURE: 2658400 86.9745 -195.668 79.4348 -195.667 216.261 2.60877 79.4337 2.60939 122.841 GPRESSURE: 2658400 154.02 -252.416 75.6778 -142.207 223.394 28.3492 -45.5205 -19.9884 146.006 PRESSAVG: 2658400 27.4161 -1.94739 56.9158 -1.94741 24.1312 15.9426 56.9158 15.9426 -75.3718 GPRESSAVG: 2658400 26.7582 -4.13365 55.37 -0.337467 24.5231 15.3721 58.3894 14.8038 -74.7122 TIMING: 2658400 CPU: 8010.63, 0.0029887/step Wall: 8010.63, 0.0029887/step, 1.94398 hours remaining, 209.460938 MB of memory in use. ENERGY: 2658400 723.5555 2024.7224 1924.2109 115.7228 -207142.9989 18156.3453 0.0000 0.0000 34336.4172 -149862.0248 299.8685 -184198.4420 -149768.6868 297.6812 142.0254 174.4732 555417.5950 -7.9415 -7.8103 PRESSURE: 2658600 -285.018 3.94161 121.581 3.94161 67.8668 -40.7375 121.582 -40.7387 -260.465 GPRESSURE: 2658600 -254.334 -20.0755 161.844 1.22605 106.871 5.31243 49.1197 -135.54 -232.269 PRESSAVG: 2658600 -34.8515 -13.8025 -8.91722 -13.8025 86.8373 -11.2806 -8.9171 -11.2805 -26.5947 GPRESSAVG: 2658600 -33.9515 -13.8741 -6.90478 -13.8871 87.0147 -9.83649 -8.9569 -8.8253 -27.2588 TIMING: 2658600 CPU: 8011.23, 0.00296344/step Wall: 8011.23, 0.00296344/step, 1.92739 hours remaining, 209.460938 MB of memory in use. ENERGY: 2658600 731.5936 2034.5117 1937.3067 113.1350 -205972.8551 17461.0130 0.0000 0.0000 33850.7682 -149844.5270 295.6272 -183695.2952 -149749.3748 297.4875 -159.2053 -126.5775 557014.7212 8.4637 8.6015 PRESSURE: 2658800 -30.5151 -51.6657 -13.9468 -51.6663 59.1959 20.8823 -13.9461 20.8822 -151.651 GPRESSURE: 2658800 27.1031 -10.8319 -26.6249 -33.1081 83.4883 -1.67213 -87.7509 5.22456 -135.264 PRESSAVG: 2658800 -95.4288 -8.18758 51.3237 -8.18749 45.6617 12.2628 51.3238 12.2629 -5.97298 GPRESSAVG: 2658800 -95.3777 -6.12321 50.3739 -7.23261 45.0047 10.7809 50.6866 9.98227 -5.70504 TIMING: 2658800 CPU: 8011.82, 0.00299568/step Wall: 8011.82, 0.00299568/step, 1.94819 hours remaining, 209.460938 MB of memory in use. ENERGY: 2658800 697.7626 2068.5734 1924.3513 116.6334 -206834.3400 17974.8002 0.0000 0.0000 33971.7588 -150080.4603 296.6838 -184052.2192 -149982.7457 296.8231 -40.9900 -8.2242 555110.3944 -18.5800 -18.6927 PRESSURE: 2659000 105.007 104.34 -5.09679 104.339 -172.144 12.1032 -5.09623 12.1054 -6.6066 GPRESSURE: 2659000 117.336 -32.8316 58.9591 90.0878 -172.816 107.275 -77.5534 18.9019 67.7056 PRESSAVG: 2659000 40.5765 5.73141 69.1828 5.73138 -34.629 14.3569 69.1828 14.3569 6.35706 GPRESSAVG: 2659000 41.73 5.42995 70.2663 3.8151 -35.7061 14.5425 68.7478 14.4832 6.01439 TIMING: 2659000 CPU: 8012.42, 0.00298643/step Wall: 8012.42, 0.00298643/step, 1.94201 hours remaining, 209.460938 MB of memory in use. ENERGY: 2659000 735.6151 2043.5613 1928.4313 113.3815 -206494.3269 17756.3493 0.0000 0.0000 34033.9731 -149883.0153 297.2272 -183916.9884 -149787.0499 296.7986 -24.5813 4.0751 556072.7313 4.1015 4.0128 PRESSURE: 2659200 -453.773 -89.0106 261.536 -89.0107 -208.624 -70.0137 261.536 -70.0139 221.232 GPRESSURE: 2659200 -398.726 -20.0814 218.712 -173.54 -106.826 36.3704 267.249 -109.428 155.3 PRESSAVG: 2659200 -60.2517 42.96 56.2008 42.9599 -66.1336 -3.02508 56.2008 -3.02513 24.1465 GPRESSAVG: 2659200 -60.2347 42.6629 55.9318 43.9907 -65.9335 -0.209647 56.3719 -4.21072 23.4455 TIMING: 2659200 CPU: 8013.02, 0.0029827/step Wall: 8013.02, 0.0029827/step, 1.93942 hours remaining, 209.460938 MB of memory in use. ENERGY: 2659200 694.6804 2089.3877 1898.7636 109.3032 -205932.5377 17433.7164 0.0000 0.0000 34009.2515 -149697.4349 297.0113 -183706.6864 -149601.0898 297.9647 -147.0550 -116.7507 556861.7430 -34.0796 -34.2409 PRESSURE: 2659400 -48.7719 68.5311 -38.1172 68.5328 46.2624 45.982 -38.1168 45.9819 -62.3273 GPRESSURE: 2659400 -4.84766 118.297 -60.9192 90.5121 79.0365 -38.8148 6.98386 30.0935 -39.0201 PRESSAVG: 2659400 7.48746 3.59204 32.0844 3.59211 -7.46805 39.8642 32.0844 39.8643 -0.267524 GPRESSAVG: 2659400 5.86374 3.28587 32.5333 3.5874 -6.98067 38.3564 32.4834 42.5626 1.34303 TIMING: 2659400 CPU: 8013.61, 0.00295935/step Wall: 8013.61, 0.00295935/step, 1.92407 hours remaining, 209.460938 MB of memory in use. ENERGY: 2659400 730.0531 2091.4871 1938.5689 104.2975 -206295.2163 17650.2414 0.0000 0.0000 34201.4730 -149579.0953 298.6900 -183780.5683 -149480.6266 297.9153 -21.6123 11.7229 557019.2004 -0.0827 0.0754 PRESSURE: 2659600 -113.279 -51.1714 -7.75294 -51.1723 -91.1087 80.2732 -7.75296 80.2735 39.8349 GPRESSURE: 2659600 -65.5325 -134.026 18.7876 -69.6848 -82.7347 89.3747 -37.3978 119.507 76.5476 PRESSAVG: 2659600 -10.7086 15.5829 68.0146 15.583 5.85144 -12.3007 68.0146 -12.3007 -12.1838 GPRESSAVG: 2659600 -9.81891 17.7234 66.0646 13.0701 5.67746 -14.0016 69.8747 -11.9089 -12.6618 TIMING: 2659600 CPU: 8014.21, 0.00298594/step Wall: 8014.21, 0.00298594/step, 1.94119 hours remaining, 209.460938 MB of memory in use. ENERGY: 2659600 763.3801 2016.4465 1930.3955 124.8352 -206468.2133 17722.7165 0.0000 0.0000 34171.2694 -149739.1702 298.4262 -183910.4395 -149636.1544 297.8847 -54.8509 -23.9066 556318.8565 -5.6803 -5.6011 PRESSURE: 2659800 -324.812 68.8209 -70.9306 68.8208 -224.048 -118.078 -70.9307 -118.078 -277.059 GPRESSURE: 2659800 -303.881 134.835 -80.1552 50.3889 -153.225 -102 -20.7014 -67.8332 -265.359 PRESSAVG: 2659800 12.8297 -40.8515 17.9737 -40.8515 -24.0373 -23.9258 17.9736 -23.9257 -2.70678 GPRESSAVG: 2659800 12.462 -42.6596 18.7819 -38.8381 -23.9413 -20.4837 14.857 -25.271 -2.93113 TIMING: 2659800 CPU: 8014.81, 0.00298785/step Wall: 8014.81, 0.00298785/step, 1.94227 hours remaining, 209.460938 MB of memory in use. ENERGY: 2659800 780.7960 2002.0728 1911.9799 121.7986 -206185.1167 17642.8776 0.0000 0.0000 34002.8252 -149722.7667 296.9551 -183725.5920 -149623.5158 298.1509 -275.3063 -240.8218 558441.7453 -4.6381 -4.8035 PRESSURE: 2660000 132.54 33.2957 -3.16979 33.2961 -92.9728 -246.865 -3.16977 -246.866 -261.684 GPRESSURE: 2660000 121.322 -81.8094 -1.88511 129.597 -64.6872 -274.089 -43.8941 -214.014 -181.709 PRESSAVG: 2660000 49.0093 -8.45279 -33.7718 -8.45275 -16.3475 -52.5111 -33.7719 -52.511 -43.6533 GPRESSAVG: 2660000 49.0464 -7.17501 -33.3887 -9.1268 -16.4758 -53.3874 -31.8195 -52.7871 -43.2951 TIMING: 2660000 CPU: 8015.41, 0.00300648/step Wall: 8015.41, 0.00300648/step, 1.95421 hours remaining, 209.460938 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: 2660000 738.4338 2060.8421 1915.4199 119.5481 -206548.0490 17782.3419 0.0000 0.0000 34190.4377 -149741.0256 298.5936 -183931.4633 -149646.0962 298.5282 -74.0390 -41.6914 557194.0110 -3.6638 -3.5748 PRESSURE: 2660200 -120.21 29.8931 22.0651 29.8943 103.525 53.1498 22.0662 53.1482 -249.907 GPRESSURE: 2660200 -63.2643 -4.46612 -28.5621 69.2365 161.061 130.747 55.778 28.0026 -256.77 PRESSAVG: 2660200 31.1703 -34.1593 -22.5944 -34.1594 5.90837 48.0349 -22.5945 48.0348 -35.6423 GPRESSAVG: 2660200 30.1903 -35.3573 -23.5444 -35.239 6.39132 47.9446 -24.7745 48.4338 -35.3 TIMING: 2660200 CPU: 8016.01, 0.00300133/step Wall: 8016.01, 0.00300133/step, 1.9507 hours remaining, 209.460938 MB of memory in use. ENERGY: 2660200 761.7816 2081.0211 1930.6092 117.5190 -206683.1978 17829.2267 0.0000 0.0000 34188.3446 -149774.6956 298.5753 -183963.0401 -149681.4399 298.1746 -88.8639 -52.9911 556792.3557 0.4788 0.4272 LDB: ============= START OF LOAD BALANCING ============== 8019.52 LDB: ============== END OF LOAD BALANCING =============== 8019.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8019.52 LDB: ============= START OF LOAD BALANCING ============== 8019.82 LDB: Largest compute 4801 load 0.024197 is 20.5% of average load 0.118095 LDB: Average compute 0.001720 is 1.5% of average load 0.118095 LDB: TIME 8019.82 LOAD: AVG 0.118095 MAX 0.209219 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.152 MB LDB: TIME 8019.82 LOAD: AVG 0.118095 MAX 0.209219 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.234 MB LDB: TIME 8019.82 LOAD: AVG 0.118095 MAX 0.209219 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.234 MB LDB: ============== END OF LOAD BALANCING =============== 8019.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8019.83 PRESSURE: 2660400 -195.458 -179.53 10.7589 -179.531 40.6976 -35.2237 10.7607 -35.2228 82.2009 GPRESSURE: 2660400 -123.949 -191.407 37.1012 -168.183 54.1613 66.5249 -26.4099 -8.59679 94.4565 PRESSAVG: 2660400 8.83876 2.78201 23.3382 2.78209 59.3343 -19.0353 23.3382 -19.0353 3.08763 GPRESSAVG: 2660400 9.43705 2.20303 24.7111 4.88636 59.1905 -19.3109 24.2279 -20.0003 2.14788 TIMING: 2660400 CPU: 8016.61, 0.00303649/step Wall: 8016.61, 0.00303649/step, 1.97338 hours remaining, 209.839844 MB of memory in use. ENERGY: 2660400 736.0308 2080.1639 1927.4520 100.7058 -206517.0011 17871.8890 0.0000 0.0000 34286.2681 -149514.4915 299.4305 -183800.7597 -149415.5491 298.6093 -24.1866 8.2230 556700.6217 23.7536 23.5918 PRESSURE: 2660600 -72.1545 93.7074 149.409 93.7066 69.5158 -131.395 149.411 -131.395 34.3862 GPRESSURE: 2660600 -23.4715 62.4448 221.223 97.498 142.123 -172.531 184.821 -42.824 16.6013 PRESSAVG: 2660600 -25.5155 1.26227 14.5001 1.26231 41.9367 -15.3988 14.5001 -15.3986 18.3211 GPRESSAVG: 2660600 -26.2491 1.94066 13.654 0.348663 42.041 -16.1626 15.5129 -13.674 19.2283 TIMING: 2660600 CPU: 8017.22, 0.00302525/step Wall: 8017.22, 0.00302525/step, 1.96591 hours remaining, 209.984375 MB of memory in use. ENERGY: 2660600 726.3737 2045.6056 1936.4811 126.7233 -206798.1719 18119.9146 0.0000 0.0000 34268.8518 -149574.2219 299.2784 -183843.0737 -149469.5594 298.0262 10.5825 45.0841 558258.4949 11.5808 11.6734 PRESSURE: 2660800 -8.71471 -104.664 -123.41 -104.664 -49.9813 -72.1189 -123.41 -72.1192 -139.351 GPRESSURE: 2660800 2.24104 -147.033 -106.398 -95.1001 -37.1431 -78.6572 -180.214 -80.9806 -72.8261 PRESSAVG: 2660800 7.56068 1.25184 6.85537 1.25189 -19.6082 40.3192 6.85545 40.3193 -31.7294 GPRESSAVG: 2660800 7.60818 1.0354 5.53461 -0.391148 -18.6903 38.9596 7.63213 41.9936 -32.4943 TIMING: 2660800 CPU: 8017.82, 0.00301443/step Wall: 8017.82, 0.00301443/step, 1.95871 hours remaining, 210.183594 MB of memory in use. ENERGY: 2660800 746.8987 2037.7162 1932.9758 114.8189 -206419.0042 17815.5174 0.0000 0.0000 34305.3105 -149465.7667 299.5968 -183771.0772 -149370.4816 298.3819 -66.0157 -35.9094 556820.8579 -14.5923 -14.5255 PRESSURE: 2661000 201.864 -124.918 -22.7661 -124.919 -30.121 167.435 -22.7668 167.437 -8.32309 GPRESSURE: 2661000 207.027 -205.286 -65.4026 -2.07778 -10.223 172.869 -31.1752 111.178 54.0601 PRESSAVG: 2661000 40.7294 -31.1527 -3.10258 -31.1528 -22.4274 9.35252 -3.10254 9.35257 -19.6621 GPRESSAVG: 2661000 39.0938 -30.9284 -2.78971 -29.1645 -21.981 10.3965 -5.18177 7.76813 -18.2858 TIMING: 2661000 CPU: 8018.43, 0.00302049/step Wall: 8018.43, 0.00302049/step, 1.96248 hours remaining, 210.183594 MB of memory in use. ENERGY: 2661000 738.5587 2041.9472 1944.3268 107.4224 -206725.4338 18161.3354 0.0000 0.0000 34154.2375 -149577.6058 298.2775 -183731.8433 -149487.5322 298.8406 54.4732 83.6214 556837.7496 -0.4534 -0.3910 PRESSURE: 2661200 174.052 87.0931 -67.6948 87.0929 -96.2985 -117.247 -67.6956 -117.248 -16.1023 GPRESSURE: 2661200 234.74 88.9451 -114.998 26.8365 -86.818 -148.638 -77.9288 -63.2023 17.9379 PRESSAVG: 2661200 16.8079 1.89722 47.3911 1.89725 -28.0997 26.8373 47.3911 26.8372 -1.07083 GPRESSAVG: 2661200 18.8083 0.982734 47.5849 -0.758635 -28.5354 27.6602 47.6563 25.862 -2.85813 TIMING: 2661200 CPU: 8019.03, 0.00301038/step Wall: 8019.03, 0.00301039/step, 1.95575 hours remaining, 210.183594 MB of memory in use. ENERGY: 2661200 733.7777 2039.1469 1943.5825 102.2552 -206610.8612 18003.9177 0.0000 0.0000 34237.3782 -149550.8030 299.0035 -183788.1812 -149455.2452 298.2252 20.5503 55.2866 557022.7149 -4.1209 -4.1951 PRESSURE: 2661400 -66.4145 -34.4444 141.213 -34.4448 54.3923 126.881 141.212 126.882 -38.8101 GPRESSURE: 2661400 -53.07 -95.816 210.008 -6.84753 110.198 110.191 24.8395 72.068 -10.181 PRESSAVG: 2661400 69.6674 -20.0441 -22.5155 -20.0441 -20.953 15.8114 -22.5154 15.8114 -32.4909 GPRESSAVG: 2661400 68.8681 -19.06 -22.2627 -19.2585 -20.7654 15.1303 -21.1258 15.946 -31.7444 TIMING: 2661400 CPU: 8019.63, 0.00299969/step Wall: 8019.63, 0.00299969/step, 1.94863 hours remaining, 210.183594 MB of memory in use. ENERGY: 2661400 777.1172 2075.9455 1920.0500 115.8992 -206487.1778 17922.8267 0.0000 0.0000 34129.2991 -149546.0402 298.0597 -183675.3393 -149457.2307 298.7561 -16.9441 15.6491 556181.8291 5.4078 5.4528 PRESSURE: 2661600 -190.584 199.854 114.424 199.854 50.8045 3.85032 114.423 3.85174 -171.776 GPRESSURE: 2661600 -206.093 210.197 133.986 176.146 109.665 79.6912 6.36689 2.80827 -111.434 PRESSAVG: 2661600 -0.288937 -11.2139 -25.291 -11.2141 -13.4691 38.8844 -25.2909 38.8844 13.5967 GPRESSAVG: 2661600 0.471429 -11.9302 -25.5504 -10.3021 -13.1617 39.2319 -26.0458 38.1957 12.7071 TIMING: 2661600 CPU: 8020.23, 0.00301275/step Wall: 8020.23, 0.00301275/step, 1.95695 hours remaining, 210.183594 MB of memory in use. ENERGY: 2661600 765.0610 2041.7629 1949.0995 102.3664 -206167.9851 17699.2017 0.0000 0.0000 34148.1674 -149462.3261 298.2244 -183610.4935 -149368.5451 298.5883 -103.8518 -69.2872 558173.2512 -0.0538 0.0056 PRESSURE: 2661800 4.80667 -44.6642 50.9895 -44.6651 -87.8797 -0.370802 50.9903 -0.368458 -160.556 GPRESSURE: 2661800 -19.1299 -107.209 88.7116 9.46626 -38.4476 -5.24452 53.4732 21.9026 -87.6365 PRESSAVG: 2661800 -39.3771 17.6466 22.6239 17.6464 16.1191 10.3751 22.6239 10.3751 14.3965 GPRESSAVG: 2661800 -40.0672 19.0865 25.9836 17.6971 16.1527 10.1679 22.4307 11.4329 15.1654 TIMING: 2661800 CPU: 8020.83, 0.00298876/step Wall: 8020.83, 0.00298876/step, 1.9412 hours remaining, 210.183594 MB of memory in use. ENERGY: 2661800 738.7077 2035.1028 1926.4084 106.0197 -206224.2590 17826.7375 0.0000 0.0000 34259.1553 -149332.1277 299.1937 -183591.2830 -149231.8998 298.8533 -81.2098 -48.4047 559347.7874 -2.9538 -2.9164 PRESSURE: 2662000 -33.0023 -52.9606 52.3098 -52.9581 -98.1708 20.1464 52.3115 20.1479 72.1827 GPRESSURE: 2662000 -3.17492 48.4447 5.03633 -86.1906 -74.4028 117.307 150.306 -17.8111 116.418 PRESSAVG: 2662000 -8.56264 55.1477 14.4752 55.1477 -6.42905 15.7916 14.4752 15.7916 19.3429 GPRESSAVG: 2662000 -9.2784 55.754 11.0985 53.0425 -5.8523 17.8771 15.206 13.0109 20.0271 TIMING: 2662000 CPU: 8021.43, 0.0029878/step Wall: 8021.43, 0.0029878/step, 1.94041 hours remaining, 210.183594 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: 2662000 738.4924 2084.0665 1915.3733 109.0107 -206427.2810 17725.8049 0.0000 0.0000 34300.1906 -149554.3426 299.5521 -183854.5332 -149455.7112 298.8439 -19.6634 12.9469 556581.2198 1.4504 1.6321 PRESSURE: 2662200 73.1269 89.1802 -11.8737 89.1797 14.7971 23.6102 -11.8737 23.6105 54.5686 GPRESSURE: 2662200 55.6195 103.357 -11.2662 77.5372 -26.8086 92.8345 44.7169 10.08 206.968 PRESSAVG: 2662200 -8.25763 49.5891 -6.41296 49.5891 -2.67264 3.46869 -6.4129 3.4686 -30.5523 GPRESSAVG: 2662200 -7.69017 46.9311 -4.41198 50.5761 -2.58757 2.78816 -7.76129 4.0832 -31.4927 TIMING: 2662200 CPU: 8022.02, 0.00298367/step Wall: 8022.02, 0.00298367/step, 1.93756 hours remaining, 210.183594 MB of memory in use. ENERGY: 2662200 733.2753 2028.2516 1905.2959 93.9969 -206425.4786 17979.9177 0.0000 0.0000 34334.6444 -149350.0970 299.8530 -183684.7413 -149255.7266 298.5247 47.4975 78.5929 556917.0456 -13.8275 -13.9235 PRESSURE: 2662400 7.26835 -53.1294 -44.4934 -53.1293 -334.15 -191.116 -44.4944 -191.115 -152.328 GPRESSURE: 2662400 17.5613 -3.90548 -2.00402 -38.5207 -273.837 -230.581 -47.3784 -88.4871 -123.289 PRESSAVG: 2662400 40.7701 2.18667 33.0159 2.18672 -28.9974 -18.9238 33.0159 -18.9239 7.47432 GPRESSAVG: 2662400 40.6671 3.04584 33.4842 1.8004 -30.1921 -18.7194 32.7771 -17.074 8.50178 TIMING: 2662400 CPU: 8022.62, 0.00299169/step Wall: 8022.62, 0.00299169/step, 1.94261 hours remaining, 210.183594 MB of memory in use. ENERGY: 2662400 755.4785 2128.9592 1889.4236 110.0799 -206050.6949 17535.4007 0.0000 0.0000 34209.4006 -149421.9522 298.7592 -183631.3529 -149327.3533 299.0398 -159.7367 -126.5216 556711.1269 6.4157 6.3256 PRESSURE: 2662600 -12.864 -157.224 44.1174 -157.223 151.874 -61.1351 44.1165 -61.1366 -26.8538 GPRESSURE: 2662600 21.3056 -100.077 -58.98 -200.036 123.914 -94.3332 80.9059 -109.695 48.5973 PRESSAVG: 2662600 -6.89526 34.3543 23.6938 34.3543 32.1262 -26.8646 23.6937 -26.8647 -18.3953 GPRESSAVG: 2662600 -5.55294 35.4593 21.6286 33.7131 32.7759 -28.0059 25.3902 -27.0945 -20.1316 TIMING: 2662600 CPU: 8023.22, 0.00300397/step Wall: 8023.22, 0.00300397/step, 1.95041 hours remaining, 210.183594 MB of memory in use. ENERGY: 2662600 692.4944 2033.3063 1903.0202 107.6321 -206027.1339 17848.6648 0.0000 0.0000 33977.0760 -149464.9400 296.7303 -183442.0160 -149365.2658 298.2823 37.3854 64.6058 557336.5829 2.2785 2.3638 PRESSURE: 2662800 -176.621 126.458 46.1789 126.457 43.4309 -31.8936 46.1786 -31.8941 -444.092 GPRESSURE: 2662800 -150.833 162.152 20.4097 129.286 116.255 66.5967 47.2345 -67.23 -435.141 PRESSAVG: 2662800 -40.6536 9.7778 0.591824 9.77783 -32.8765 -42.9302 0.591808 -42.9303 70.6857 GPRESSAVG: 2662800 -40.7743 9.11429 3.02161 12.1989 -34.3647 -42.2486 -0.271378 -41.6627 72.0247 TIMING: 2662800 CPU: 8023.82, 0.00300558/step Wall: 8023.82, 0.00300558/step, 1.95129 hours remaining, 210.183594 MB of memory in use. ENERGY: 2662800 719.2347 2038.6176 1923.7264 119.4265 -206420.4548 17720.8831 0.0000 0.0000 34385.5248 -149513.0417 300.2973 -183898.5665 -149418.9973 298.1052 -192.4275 -156.5728 556886.3384 -0.9481 -1.0381 PRESSURE: 2663000 -183.548 25.7337 199.375 25.7348 -67.0191 -27.6261 199.375 -27.6264 -254.342 GPRESSURE: 2663000 -130.473 -41.1313 216.879 25.7716 -57.3898 -86.9731 203.23 -41.0804 -216.168 PRESSAVG: 2663000 -69.9055 1.30761 50.5647 1.3076 84.8777 -28.5908 50.5647 -28.5909 -1.83222 GPRESSAVG: 2663000 -68.336 0.186169 48.9685 1.27419 85.0567 -29.4962 49.951 -29.9833 -3.37839 TIMING: 2663000 CPU: 8024.43, 0.00301107/step Wall: 8024.43, 0.00301107/step, 1.95469 hours remaining, 210.183594 MB of memory in use. ENERGY: 2663000 737.4278 2091.4937 1932.2100 117.6282 -206052.9212 17602.1608 0.0000 0.0000 34291.7438 -149280.2568 299.4783 -183572.0006 -149181.8716 298.8643 -168.3028 -134.6771 556762.1309 4.3800 4.4474 PRESSURE: 2663200 -7.18114 97.0553 91.2639 97.0542 -205.842 135.547 91.2637 135.548 -10.6683 GPRESSURE: 2663200 -14.5449 140.819 120.659 14.7356 -194.056 230.376 105.436 79.6865 72.6093 PRESSAVG: 2663200 -46.8328 16.7278 44.2161 16.7278 20.9162 -46.4742 44.216 -46.4741 38.9157 GPRESSAVG: 2663200 -48.9846 15.489 46.7769 16.665 21.7244 -48.2624 42.6432 -43.3137 40.1533 TIMING: 2663200 CPU: 8025.02, 0.00298247/step Wall: 8025.02, 0.00298247/step, 1.93596 hours remaining, 210.183594 MB of memory in use. ENERGY: 2663200 713.8966 2088.8024 1912.9321 123.4066 -205876.3261 17599.7946 0.0000 0.0000 34293.8362 -149143.6575 299.4966 -183437.4937 -149041.1711 299.3712 -74.5639 -45.3306 557961.4003 4.3330 4.2977 PRESSURE: 2663400 121.614 7.83071 116.167 7.82999 -57.1375 155.712 116.166 155.712 -165.639 GPRESSURE: 2663400 183.081 1.04444 19.4774 4.88811 -34.2631 147.379 75.7862 129.886 -161.138 PRESSAVG: 2663400 -8.31476 -3.22919 2.9496 -3.22912 12.0905 -38.2192 2.94962 -38.2192 -10.0841 GPRESSAVG: 2663400 -7.44746 -1.41602 0.253795 -4.42358 11.5254 -36.6119 6.00511 -40.8207 -9.54938 TIMING: 2663400 CPU: 8025.62, 0.00297659/step Wall: 8025.62, 0.00297659/step, 1.93197 hours remaining, 210.183594 MB of memory in use. ENERGY: 2663400 709.1645 2108.8343 1936.5410 113.8810 -205738.9833 17421.3259 0.0000 0.0000 34325.0956 -149124.1410 299.7696 -183449.2366 -149029.4921 299.4752 -33.7210 -4.1066 557200.6127 -2.1028 -1.8238 PRESSURE: 2663600 -56.1768 74.6425 72.8382 74.6412 184.523 82.8349 72.8378 82.8335 69.5533 GPRESSURE: 2663600 -24.2075 25.5033 88.7074 51.3694 186.55 81.1675 88.6829 24.4804 131.252 PRESSAVG: 2663600 26.8299 -11.366 -67.721 -11.3659 45.7042 17.8851 -67.721 17.885 -18.1273 GPRESSAVG: 2663600 25.3514 -12.4836 -67.7109 -11.4681 47.3142 18.7647 -68.9589 18.2247 -18.2678 TIMING: 2663600 CPU: 8026.22, 0.00299679/step Wall: 8026.22, 0.00299679/step, 1.94491 hours remaining, 210.183594 MB of memory in use. ENERGY: 2663600 745.4102 2110.9036 1940.1289 111.5556 -206257.0830 17969.1359 0.0000 0.0000 34437.8618 -148942.0870 300.7544 -183379.9488 -148832.6446 299.8250 65.9664 97.8649 558184.5214 18.1356 18.1326 PRESSURE: 2663800 22.0607 115.276 138.658 115.276 -251.624 -130.091 138.658 -130.094 46.1699 GPRESSURE: 2663800 48.6972 70.5888 217.562 69.8831 -243.629 -68.7279 88.5829 -163.94 115.236 PRESSAVG: 2663800 31.4634 -7.33757 29.0801 -7.33762 11.4367 31.6999 29.0801 31.6998 -89.9991 GPRESSAVG: 2663800 32.2423 -4.55499 29.533 -9.07521 11.1219 32.7578 29.9424 32.3826 -90.6223 TIMING: 2663800 CPU: 8026.81, 0.00297933/step Wall: 8026.81, 0.00297933/step, 1.93342 hours remaining, 210.183594 MB of memory in use. ENERGY: 2663800 722.2473 2074.3687 1935.2622 124.6459 -205899.2697 17624.0312 0.0000 0.0000 34396.6680 -149022.0464 300.3947 -183418.7144 -148931.7184 299.9143 -61.1312 -26.5653 557469.8245 -15.6997 -15.7527 PRESSURE: 2664000 72.9701 123.076 106.122 123.078 -210.815 -73.4326 106.122 -73.4319 -179.007 GPRESSURE: 2664000 84.5385 -27.8124 -13.897 213.439 -126.262 -137.707 211.684 -40.2391 -181.545 PRESSAVG: 2664000 38.2674 10.6449 48.6271 10.6449 -22.2623 6.91664 48.6271 6.91671 6.75836 GPRESSAVG: 2664000 38.7733 10.7727 48.1051 10.9194 -23.02 5.02539 49.8787 7.99484 6.91566 TIMING: 2664000 CPU: 8027.41, 0.00298088/step Wall: 8027.41, 0.00298088/step, 1.93426 hours remaining, 210.183594 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: 2664000 763.1680 2156.5187 1933.4159 111.8930 -206043.5474 17700.3184 0.0000 0.0000 34490.9099 -148887.3236 301.2177 -183378.2334 -148790.4990 300.2496 -105.6176 -74.4228 557925.6450 7.5878 7.5563 PRESSURE: 2664200 39.6573 12.1839 -30.371 12.1845 59.4841 24.5332 -30.3703 24.5353 62.6482 GPRESSURE: 2664200 27.2023 -2.35466 -37.0957 35.5934 116.564 100.365 -85.2783 25.4586 124.793 PRESSAVG: 2664200 -15.3603 7.78103 17.0503 7.78091 31.9444 -10.7449 17.0504 -10.7449 -2.11264 GPRESSAVG: 2664200 -16.0274 6.53154 16.0525 9.53 32.7636 -9.14846 16.6399 -12.4587 -1.8561 TIMING: 2664200 CPU: 8028.01, 0.00299084/step Wall: 8028.01, 0.00299084/step, 1.94056 hours remaining, 210.183594 MB of memory in use. ENERGY: 2664200 730.6647 2108.5512 1943.8797 117.7937 -206017.1242 17642.7676 0.0000 0.0000 34432.4862 -149040.9812 300.7075 -183473.4673 -148942.8674 300.5290 53.9299 89.5196 556828.9510 4.8238 4.9600 LDB: ============= START OF LOAD BALANCING ============== 8031.52 LDB: ============== END OF LOAD BALANCING =============== 8031.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8031.52 LDB: ============= START OF LOAD BALANCING ============== 8031.82 LDB: Largest compute 4772 load 0.027854 is 23.6% of average load 0.118126 LDB: Average compute 0.001728 is 1.5% of average load 0.118126 LDB: TIME 8031.83 LOAD: AVG 0.118126 MAX 0.206947 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.457 MB LDB: TIME 8031.83 LOAD: AVG 0.118126 MAX 0.206947 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.527 MB LDB: TIME 8031.83 LOAD: AVG 0.118126 MAX 0.206947 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.527 MB LDB: ============== END OF LOAD BALANCING =============== 8031.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8031.83 PRESSURE: 2664400 197.192 13.5851 -90.0353 13.5858 85.3911 -75.4178 -90.0343 -75.4184 45.0118 GPRESSURE: 2664400 209.331 -10.2094 14.6842 -24.7655 146.213 -18.4075 -221.862 -97.7988 75.1847 PRESSAVG: 2664400 12.3775 11.7513 -12.977 11.7512 -7.24095 -39.8632 -12.9771 -39.8632 25.9139 GPRESSAVG: 2664400 12.888 13.1384 -11.615 9.95736 -7.29128 -41.248 -12.1068 -39.9484 25.6051 TIMING: 2664400 CPU: 8028.62, 0.00305144/step Wall: 8028.62, 0.00305144/step, 1.9797 hours remaining, 208.925781 MB of memory in use. ENERGY: 2664400 744.6129 2109.4187 1923.5619 119.1643 -206670.3837 18136.7537 0.0000 0.0000 34188.7421 -149448.1301 298.5788 -183636.8722 -149355.4524 299.7873 109.1983 143.5763 557694.0009 10.3502 10.4006 PRESSURE: 2664600 162.139 -27.4088 -192.566 -27.4077 250.239 -74.2381 -192.565 -74.2385 30.9293 GPRESSURE: 2664600 167.578 -8.29351 -348.86 -12.7255 333.481 -41.6541 -119.132 -206.714 45.604 PRESSAVG: 2664600 13.2456 1.49642 -23.8068 1.49643 51.7925 11.922 -23.8068 11.922 -20.1975 GPRESSAVG: 2664600 13.475 -0.810089 -23.2258 3.43231 51.0125 11.8473 -25.8552 11.1738 -20.0575 TIMING: 2664600 CPU: 8029.21, 0.00298307/step Wall: 8029.21, 0.00298307/step, 1.93518 hours remaining, 209.128906 MB of memory in use. ENERGY: 2664600 724.7112 2090.6869 1910.9459 119.2967 -206429.5386 17954.0359 0.0000 0.0000 34289.9636 -149339.8984 299.4628 -183629.8620 -149239.2857 298.6797 147.7693 182.2210 555627.9602 14.9469 14.8100 PRESSURE: 2664800 241.543 1.63647 8.79696 1.63559 204.754 -76.0966 8.79598 -76.0987 -272.152 GPRESSURE: 2664800 243.039 30.4945 67.4172 30.8827 152.033 -153.461 30.4135 -79.1735 -134.453 PRESSAVG: 2664800 -71.4539 16.0146 -18.1471 16.0147 9.49312 12.7458 -18.1472 12.7457 51.1247 GPRESSAVG: 2664800 -71.7816 14.9867 -17.7338 15.5797 10.6108 10.5113 -17.8866 13.2618 50.2806 TIMING: 2664800 CPU: 8029.81, 0.00297823/step Wall: 8029.81, 0.00297823/step, 1.93188 hours remaining, 209.128906 MB of memory in use. ENERGY: 2664800 740.7205 2103.2253 1939.9224 116.8001 -206269.5346 17849.3383 0.0000 0.0000 34120.8859 -149398.6421 297.9862 -183519.5280 -149304.9354 298.6204 58.0484 86.8731 557151.2637 -3.6120 -3.6301 PRESSURE: 2665000 -52.6931 107.917 -117.205 107.917 289.547 95.1413 -117.206 95.1426 -4.89206 GPRESSURE: 2665000 3.3802 83.8929 -109.402 125.278 302.417 128.13 -206.42 102.75 18.6403 PRESSAVG: 2665000 -44.3123 34.6066 -12.2562 34.6065 30.3215 12.9416 -12.2563 12.9416 -6.87326 GPRESSAVG: 2665000 -44.5903 34.6438 -11.0474 35.2548 29.8534 15.9036 -11.0432 11.7037 -6.71972 TIMING: 2665000 CPU: 8030.4, 0.00297686/step Wall: 8030.4, 0.00297686/step, 1.93082 hours remaining, 209.128906 MB of memory in use. ENERGY: 2665000 703.3066 2091.6863 1953.3249 102.3908 -206437.3325 17922.6984 0.0000 0.0000 34326.5035 -149337.4218 299.7819 -183663.9253 -149241.6674 299.1095 77.3206 108.1457 556636.0685 -6.9547 -7.1522 PRESSURE: 2665200 15.8214 -52.9583 -47.434 -52.9577 53.2394 -100.397 -47.4332 -100.395 -30.1537 GPRESSURE: 2665200 54.5831 -52.1015 -47.0244 -117.943 77.1014 -40.755 -13.9288 -42.334 15.3278 PRESSAVG: 2665200 -65.0611 -11.4753 7.7847 -11.4753 66.3967 9.07051 7.78468 9.07065 45.1197 GPRESSAVG: 2665200 -65.4135 -8.8659 5.41814 -12.4833 66.6983 7.907 7.5706 9.33656 44.7124 TIMING: 2665200 CPU: 8031, 0.00298358/step Wall: 8031, 0.00298358/step, 1.93502 hours remaining, 209.199219 MB of memory in use. ENERGY: 2665200 763.9578 2118.2140 1960.8753 100.2553 -206347.0015 17932.8206 0.0000 0.0000 34141.2356 -149329.6430 298.1639 -183470.8785 -149236.4866 299.2226 12.9690 49.0041 557153.3763 15.4851 15.3324 PRESSURE: 2665400 -38.5138 16.2228 -0.0637826 16.2243 -210.563 14.2805 -0.0635142 14.2804 217.583 GPRESSURE: 2665400 -22.018 -38.5177 27.5027 24.4529 -152.449 -23.5987 -91.3038 104.357 241.71 PRESSAVG: 2665400 18.1746 -9.07471 18.5148 -9.07467 -40.0242 17.9434 18.5149 17.9434 22.7362 GPRESSAVG: 2665400 17.9927 -8.04397 19.9613 -10.9181 -40.6632 19.34 18.8142 19.1732 23.9391 TIMING: 2665400 CPU: 8031.6, 0.00299207/step Wall: 8031.6, 0.00299207/step, 1.94036 hours remaining, 209.199219 MB of memory in use. ENERGY: 2665400 774.4814 2111.7672 1949.3593 133.3133 -206250.1420 17669.4210 0.0000 0.0000 34294.9474 -149316.8526 299.5063 -183611.7999 -149222.4889 299.7603 -10.4979 22.4144 556517.9203 0.2955 0.4228 PRESSURE: 2665600 -73.6887 12.3441 -117.668 12.3454 157.942 -65.2853 -117.667 -65.2838 114.41 GPRESSURE: 2665600 -27.5588 -55.75 -114.308 68.8195 178.043 -31.8341 -147.218 -106.524 141.696 PRESSAVG: 2665600 -37.0899 -12.7171 22.1786 -12.7171 54.636 16.1128 22.1786 16.113 -51.6945 GPRESSAVG: 2665600 -36.1011 -14.9537 21.0749 -10.0527 54.5743 17.7036 21.5468 14.3361 -52.6682 TIMING: 2665600 CPU: 8032.2, 0.00299306/step Wall: 8032.2, 0.00299306/step, 1.94084 hours remaining, 209.199219 MB of memory in use. ENERGY: 2665600 766.4441 2139.1068 1933.1034 120.7241 -206293.6561 17856.5691 0.0000 0.0000 34274.9256 -149202.7830 299.3314 -183477.7086 -149107.5415 299.8253 66.2208 97.3933 555625.4905 -11.3828 -11.3983 PRESSURE: 2665800 -16.0155 5.43577 -188.481 5.43574 -177.174 -62.432 -188.482 -62.4297 97.9491 GPRESSURE: 2665800 63.1179 0.26121 -138.122 -39.4653 -161.934 -83.9 -170.393 -58.7007 99.1299 PRESSAVG: 2665800 -33.7816 -26.476 -47.9303 -26.476 47.2444 48.4145 -47.9303 48.4145 -8.97791 GPRESSAVG: 2665800 -35.01 -25.1902 -48.1813 -28.6439 48.1262 44.4499 -46.4436 50.8488 -9.01925 TIMING: 2665800 CPU: 8032.8, 0.00302515/step Wall: 8032.8, 0.00302515/step, 1.96148 hours remaining, 209.199219 MB of memory in use. ENERGY: 2665800 780.0784 2067.5305 1900.1258 100.8198 -206410.0474 17846.9485 0.0000 0.0000 34364.0144 -149350.5299 300.1095 -183714.5443 -149253.5788 299.2669 -31.7468 0.1045 556334.0058 1.4950 1.3657 PRESSURE: 2666000 217.254 -264.282 -124.729 -264.281 -8.35862 -25.892 -124.73 -25.8936 134.646 GPRESSURE: 2666000 192.688 -262.01 -133.759 -256.994 72.9284 -86.0166 33.6944 16.3805 182.972 PRESSAVG: 2666000 56.0465 5.07099 -68.799 5.07109 -15.9125 11.9073 -68.799 11.9072 -1.50793 GPRESSAVG: 2666000 55.1794 5.37758 -66.0903 4.79564 -14.6264 14.6468 -69.6104 9.81849 -2.49035 TIMING: 2666000 CPU: 8033.41, 0.00303321/step Wall: 8033.41, 0.00303321/step, 1.96653 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: 2666000 764.2514 2097.0475 1914.3993 107.6932 -206423.4220 17868.7889 0.0000 0.0000 34277.4358 -149393.8058 299.3534 -183671.2416 -149296.8279 299.1826 114.5135 149.5295 555415.0394 12.8753 12.6875 PRESSURE: 2666200 254.25 75.9544 -68.63 75.9543 -146.683 26.4722 -68.6294 26.472 50.5219 GPRESSURE: 2666200 270.754 18.0319 -94.2508 47.8842 -92.5111 -14.2656 -62.4045 112.745 72.8678 PRESSAVG: 2666200 -39.5146 -19.0816 15.7194 -19.0816 58.7442 25.0183 15.7196 25.0184 46.5073 GPRESSAVG: 2666200 -39.6307 -18.7048 15.35 -17.003 58.3999 24.2193 14.4613 25.5623 46.2611 TIMING: 2666200 CPU: 8034.01, 0.00300525/step Wall: 8034.01, 0.00300525/step, 1.94824 hours remaining, 209.199219 MB of memory in use. ENERGY: 2666200 722.7396 2027.5015 1951.1018 118.3436 -206210.7430 17781.5260 0.0000 0.0000 34176.7793 -149432.7514 298.4743 -183609.5306 -149335.6787 299.1923 52.6963 83.7037 557464.0496 21.9123 21.6767 PRESSURE: 2666400 -37.7774 77.3361 -104.632 77.3368 91.4903 5.58782 -104.634 5.58744 103.934 GPRESSURE: 2666400 61.2483 64.3584 -187.086 27.6615 83.158 -30.4167 -52.0378 46.0051 107.945 PRESSAVG: 2666400 28.1569 -37.5876 -27.839 -37.5876 5.08946 35.136 -27.839 35.1359 -16.5306 GPRESSAVG: 2666400 29.2288 -39.1189 -29.2787 -38.5714 2.47068 35.1916 -26.3749 35.0775 -15.058 TIMING: 2666400 CPU: 8034.61, 0.00299673/step Wall: 8034.61, 0.00299673/step, 1.94255 hours remaining, 209.199219 MB of memory in use. ENERGY: 2666400 743.9301 2061.1612 1949.4514 121.8770 -206425.1318 17901.8222 0.0000 0.0000 34265.4945 -149381.3955 299.2491 -183646.8900 -149277.9394 299.0201 52.5491 84.1171 556629.3373 5.5719 5.5472 PRESSURE: 2666600 -259.606 25.3147 -102.855 25.315 325.431 110.065 -102.853 110.064 48.3578 GPRESSURE: 2666600 -219.915 50.8806 -143.504 28.2295 314.388 82.9393 -2.1358 12.185 112.003 PRESSAVG: 2666600 -21.4554 52.452 17.5716 52.4521 51.8702 -17.4632 17.5716 -17.4633 8.58082 GPRESSAVG: 2666600 -21.5938 52.7172 17.3412 54.5329 54.1585 -17.3803 17.8206 -17.35 6.77195 TIMING: 2666600 CPU: 8035.21, 0.00298571/step Wall: 8035.21, 0.00298571/step, 1.93524 hours remaining, 209.199219 MB of memory in use. ENERGY: 2666600 800.7744 2133.7925 1935.6123 112.5738 -206935.4353 18058.0021 0.0000 0.0000 34436.2486 -149458.4316 300.7403 -183894.6802 -149358.2710 298.7345 38.0610 68.8252 556096.6835 12.9985 13.1122 PRESSURE: 2666800 -260.39 189.277 -69.8224 189.278 -119.902 98.6609 -69.8237 98.6612 57.1273 GPRESSURE: 2666800 -234.744 225.327 -42.9772 114.953 -138.874 96.9393 -104.746 106.152 156.967 PRESSAVG: 2666800 -44.5856 31.8005 -21.6214 31.8005 53.5121 11.5887 -21.6214 11.5887 -31.3699 GPRESSAVG: 2666800 -44.4965 33.9047 -22.2922 27.5577 52.0081 10.9819 -22.8819 12.7989 -30.0216 TIMING: 2666800 CPU: 8035.81, 0.00302493/step Wall: 8035.81, 0.00302493/step, 1.96049 hours remaining, 209.199219 MB of memory in use. ENERGY: 2666800 744.1293 2087.0942 1945.0747 111.9762 -206065.9587 17643.7481 0.0000 0.0000 34224.6883 -149309.2479 298.8927 -183533.9362 -149210.5507 298.4094 -107.7217 -72.2171 556685.2426 -7.4811 -7.5033 PRESSURE: 2667000 -146.003 -8.76141 81.7423 -8.76148 -193.939 175.648 81.7439 175.649 -13.1326 GPRESSURE: 2667000 -92.727 37.537 123.378 -1.62463 -126.494 245.63 73.8389 108.703 -40.8215 PRESSAVG: 2667000 -21.0969 28.6268 4.88977 28.6269 12.5507 40.0438 4.88986 40.0438 -3.18469 GPRESSAVG: 2667000 -20.651 26.9206 5.60961 30.1905 12.739 41.6528 6.54615 36.8516 -3.57193 TIMING: 2667000 CPU: 8036.42, 0.00301609/step Wall: 8036.42, 0.00301609/step, 1.95459 hours remaining, 209.199219 MB of memory in use. ENERGY: 2667000 765.6597 2077.5598 1923.7853 111.8566 -205609.6621 17504.3827 0.0000 0.0000 34099.4778 -149126.9402 297.7992 -183226.4180 -149026.2784 299.5102 -117.6915 -86.6809 558060.1346 -3.9103 -3.8280 PRESSURE: 2667200 -161.642 -51.0747 15.4546 -51.0732 -185.824 107.175 15.4548 107.176 -220.275 GPRESSURE: 2667200 -126.843 -135.126 38.491 -24.2481 -260.811 70.0429 -45.8374 109.212 -106.262 PRESSAVG: 2667200 -50.73 16.1824 7.298 16.1825 44.1171 17.1048 7.298 17.1049 -26.0554 GPRESSAVG: 2667200 -51.5436 18.7446 8.92535 15.2202 44.4386 16.2472 5.34346 18.8291 -25.5598 TIMING: 2667200 CPU: 8037.01, 0.00299318/step Wall: 8037.01, 0.00299318/step, 1.93958 hours remaining, 209.199219 MB of memory in use. ENERGY: 2667200 759.2963 2129.0031 1956.9891 111.9981 -205987.8404 17550.6406 0.0000 0.0000 34386.5139 -149093.3993 300.3060 -183479.9132 -148992.0710 299.4679 -189.2469 -164.6383 557745.8069 -10.8894 -10.8883 PRESSURE: 2667400 290.095 203.775 -150.802 203.776 -94.6687 -33.6887 -150.802 -33.6871 -47.5102 GPRESSURE: 2667400 360.028 190.463 -132.172 299.657 -74.0274 -139.713 -115.627 24.36 -39.9171 PRESSAVG: 2667400 -39.0886 91.6492 -0.267038 91.6492 3.42808 -2.36244 -0.266955 -2.36256 20.6834 GPRESSAVG: 2667400 -39.2302 89.8865 -2.76882 93.1859 4.31797 -2.36095 1.56971 -3.44051 19.4008 TIMING: 2667400 CPU: 8037.61, 0.00296582/step Wall: 8037.61, 0.00296582/step, 1.92168 hours remaining, 209.199219 MB of memory in use. ENERGY: 2667400 755.2336 2135.7387 1986.2239 119.0694 -206429.2450 18003.7375 0.0000 0.0000 34076.4352 -149352.8068 297.5980 -183429.2420 -149247.4037 299.5939 49.3054 82.0279 558012.5897 -4.9924 -5.1705 PRESSURE: 2667600 53.058 -295.46 118.787 -295.461 -153.852 192.184 118.786 192.186 86.511 GPRESSURE: 2667600 86.5276 -362.75 165.603 -172.918 -84.0025 177.088 198.591 202.918 102.077 PRESSAVG: 2667600 33.4517 -0.183706 23.4363 -0.183691 -49.0973 47.7277 23.4363 47.7277 36.4671 GPRESSAVG: 2667600 34.2449 -1.86352 25.8566 1.48436 -50.6696 49.0314 22.9373 49.8091 36.7785 TIMING: 2667600 CPU: 8038.21, 0.00299483/step Wall: 8038.21, 0.00299483/step, 1.94032 hours remaining, 209.199219 MB of memory in use. ENERGY: 2667600 779.3950 2022.1638 1932.1978 110.2457 -206163.7517 17730.7028 0.0000 0.0000 34282.6110 -149306.4358 299.3986 -183589.0467 -149205.0318 299.4001 -4.7611 34.8674 556627.8052 6.9405 6.7846 PRESSURE: 2667800 6.69655 -180.991 33.8301 -180.99 164.216 128.257 33.8299 128.257 106.531 GPRESSURE: 2667800 38.2636 -184.618 0.551996 -223.033 128.913 56.6028 74.0981 150.949 207.375 PRESSAVG: 2667800 -60.0054 -53.1829 -37.7652 -53.183 -26.2897 1.9059 -37.7651 1.90578 82.4624 GPRESSAVG: 2667800 -60.6763 -51.2031 -40.0251 -56.0912 -25.9258 3.53545 -37.6236 -1.47452 83.1103 TIMING: 2667800 CPU: 8038.8, 0.00298957/step Wall: 8038.8, 0.00298957/step, 1.93675 hours remaining, 209.199219 MB of memory in use. ENERGY: 2667800 731.0127 2117.8335 1938.7974 100.1858 -206483.5615 18017.2351 0.0000 0.0000 34213.4993 -149364.9978 298.7950 -183578.4971 -149269.0741 298.8362 92.4811 124.8505 557291.4727 -1.2776 -1.1639 PRESSURE: 2668000 65.9655 -75.7252 97.0474 -75.724 -58.4229 21.6323 97.0481 21.6328 -139.285 GPRESSURE: 2668000 78.9918 -71.0527 71.5795 -2.76415 -35.5142 14.5367 117.694 97.3321 -91.56 PRESSAVG: 2668000 17.6916 -36.7461 -50.8871 -36.7461 -16.8303 28.7465 -50.8871 28.7465 21.4753 GPRESSAVG: 2668000 17.6611 -38.4295 -49.3515 -37.0138 -16.5235 25.7397 -52.8899 32.166 21.3773 TIMING: 2668000 CPU: 8039.4, 0.00297309/step Wall: 8039.4, 0.00297309/step, 1.9259 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: 2668000 763.2764 2153.9644 1940.9594 101.5297 -206180.4494 17750.5817 0.0000 0.0000 34341.1038 -149129.0341 299.9094 -183470.1379 -149029.1647 299.1891 -43.9141 -16.0275 557114.2994 7.4455 7.5050 PRESSURE: 2668200 -23.0823 22.5444 160.318 22.5443 29.7877 2.61582 160.318 2.61521 -64.1403 GPRESSURE: 2668200 -18.1294 63.4463 145.405 -57.386 6.93387 -47.8814 167.123 86.7696 57.6545 PRESSAVG: 2668200 12.4164 -16.2754 27.2942 -16.2753 -26.2757 39.0775 27.2943 39.0774 10.4567 GPRESSAVG: 2668200 13.2954 -14.2365 26.8332 -17.5251 -26.9312 41.7737 28.113 37.5052 10.1801 TIMING: 2668200 CPU: 8039.99, 0.00297223/step Wall: 8039.99, 0.00297223/step, 1.92518 hours remaining, 209.199219 MB of memory in use. ENERGY: 2668200 765.8865 2187.7110 1954.7671 108.1292 -205924.7820 17786.0880 0.0000 0.0000 34117.1330 -149005.0672 297.9534 -183122.2002 -148911.0555 299.9115 -19.1450 15.4863 558354.9893 -1.1342 -1.1519 LDB: ============= START OF LOAD BALANCING ============== 8043.51 LDB: ============== END OF LOAD BALANCING =============== 8043.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8043.51 LDB: ============= START OF LOAD BALANCING ============== 8043.81 LDB: Largest compute 4772 load 0.025672 is 21.7% of average load 0.118090 LDB: Average compute 0.001729 is 1.5% of average load 0.118090 LDB: TIME 8043.81 LOAD: AVG 0.11809 MAX 0.209141 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.766 MB LDB: TIME 8043.81 LOAD: AVG 0.11809 MAX 0.209141 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.016 MB LDB: TIME 8043.81 LOAD: AVG 0.11809 MAX 0.209141 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.016 MB LDB: ============== END OF LOAD BALANCING =============== 8043.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8043.81 PRESSURE: 2668400 75.8539 36.5905 -73.828 36.5911 182.148 -70.4015 -73.8279 -70.401 30.2498 GPRESSURE: 2668400 128.07 -0.234085 -150.904 158.606 215.496 -105.236 -0.168585 -33.5201 53.4524 PRESSAVG: 2668400 13.7252 46.0826 -8.16928 46.0826 -62.6036 30.5683 -8.16925 30.5683 67.4034 GPRESSAVG: 2668400 13.5792 44.924 -9.39197 47.5417 -62.4537 29.693 -7.63304 31.8997 67.5008 TIMING: 2668400 CPU: 8040.6, 0.00302494/step Wall: 8040.6, 0.00302494/step, 1.95915 hours remaining, 208.429688 MB of memory in use. ENERGY: 2668400 744.6692 2034.9619 1924.3133 96.7552 -206237.2298 17884.3624 0.0000 0.0000 34391.2937 -149160.8741 300.3477 -183552.1678 -149065.3930 300.1117 96.0838 132.3394 558315.2189 6.1750 6.2088 PRESSURE: 2668600 71.1313 32.5956 -20.0132 32.5944 193.14 22.347 -20.0124 22.3464 78.228 GPRESSURE: 2668600 145.651 44.1039 -57.1987 46.1352 197.202 84.3504 0.578689 28.6736 92.8599 PRESSAVG: 2668600 -22.3749 -12.0611 -3.51651 -12.061 36.4684 -1.81628 -3.51652 -1.81618 -8.73347 GPRESSAVG: 2668600 -21.2448 -12.8383 -2.71051 -8.90765 36.8013 -3.21468 -4.03089 -1.38174 -9.96014 TIMING: 2668600 CPU: 8041.2, 0.00299901/step Wall: 8041.2, 0.00299901/step, 1.94219 hours remaining, 208.632812 MB of memory in use. ENERGY: 2668600 748.4643 2129.6437 1930.3949 116.3504 -206730.8923 17988.4585 0.0000 0.0000 34523.5203 -149294.0602 301.5025 -183817.5805 -149201.6030 299.1559 114.1665 145.2377 556048.2641 1.7867 1.8654 PRESSURE: 2668800 -54.0902 6.52589 -48.3126 6.52661 -228.863 8.98491 -48.3126 8.9858 -137.813 GPRESSURE: 2668800 -28.3565 -60.9418 -82.0463 46.4627 -204.276 -2.50561 -91.2943 79.818 -79.1113 PRESSAVG: 2668800 71.9549 44.3845 14.1237 44.3844 15.2226 -2.91514 14.1236 -2.9151 -61.0406 GPRESSAVG: 2668800 71.2687 42.6765 13.0813 43.7006 14.3409 -2.87647 13.7187 -3.8587 -60.0145 TIMING: 2668800 CPU: 8041.8, 0.00298696/step Wall: 8041.8, 0.00298696/step, 1.93422 hours remaining, 208.632812 MB of memory in use. ENERGY: 2668800 725.0912 2062.6830 1953.8734 108.6215 -205970.7273 17704.9900 0.0000 0.0000 34189.4707 -149225.9975 298.5852 -183415.4682 -149128.7614 300.2740 -140.2553 -103.9146 557489.2863 8.7123 8.5317 PRESSURE: 2669000 247.122 11.2384 -65.148 11.2394 118.12 92.5491 -65.1476 92.55 69.1776 GPRESSURE: 2669000 275.984 -22.4439 -36.0833 -15.9795 151.765 157.808 -139.564 12.0373 116.705 PRESSAVG: 2669000 32.1946 64.1022 7.40907 64.1022 -33.9453 12.9673 7.4091 12.9672 -22.3417 GPRESSAVG: 2669000 31.5631 65.6311 8.59131 63.6876 -33.7966 11.7502 9.08019 14.3945 -21.6398 TIMING: 2669000 CPU: 8042.4, 0.00304022/step Wall: 8042.4, 0.00304022/step, 1.96854 hours remaining, 208.632812 MB of memory in use. ENERGY: 2669000 755.8885 2110.0165 1926.1748 112.8465 -206542.7379 18032.9927 0.0000 0.0000 34453.2082 -149151.6106 300.8884 -183604.8189 -149050.3276 299.9393 144.8065 181.4845 556801.5714 -8.0308 -7.9578 PRESSURE: 2669200 -27.4468 -119.895 112.459 -119.894 69.9372 63.5649 112.457 63.5653 -226.557 GPRESSURE: 2669200 -18.0019 -143.835 135.304 -135.545 67.9816 61.5353 106.349 124.325 -117.995 PRESSAVG: 2669200 14.0114 -0.837491 -18.4188 -0.837476 -35.5352 -2.49655 -18.4188 -2.49663 7.71221 GPRESSAVG: 2669200 15.945 1.96866 -18.7658 -1.26023 -34.7231 -0.390837 -20.0989 -3.54238 5.43224 TIMING: 2669200 CPU: 8043, 0.00299802/step Wall: 8043, 0.00299802/step, 1.94105 hours remaining, 208.632812 MB of memory in use. ENERGY: 2669200 735.0770 2114.3970 1940.8094 112.0451 -206239.9336 17828.8629 0.0000 0.0000 34231.3278 -149277.4143 298.9507 -183508.7421 -149185.5498 299.5523 -61.3555 -22.6717 558445.4573 -4.6038 -4.4486 PRESSURE: 2669400 79.95 -68.5109 125.866 -68.5124 -226.431 -63.7167 125.865 -63.7168 357.67 GPRESSURE: 2669400 146.361 -64.8737 111.554 -79.5046 -196.145 -74.0716 176.713 -12.739 366.26 PRESSAVG: 2669400 -43.8209 -47.3469 -25.297 -47.3469 6.48348 46.5704 -25.297 46.5705 -18.4029 GPRESSAVG: 2669400 -44.4807 -49.3126 -23.7296 -46.8343 6.06944 44.8943 -26.3803 47.1731 -17.2108 TIMING: 2669400 CPU: 8043.61, 0.00301386/step Wall: 8043.61, 0.00301386/step, 1.95114 hours remaining, 208.632812 MB of memory in use. ENERGY: 2669400 732.6395 2036.9259 1936.1988 119.7621 -206157.9339 17868.6997 0.0000 0.0000 34366.8029 -149096.9049 300.1338 -183463.7079 -148997.6729 299.4191 70.3962 105.4919 557617.5957 -18.5801 -18.5407 PRESSURE: 2669600 -28.5295 -99.3479 135.523 -99.3485 144.035 30.1936 135.522 30.1948 -12.0732 GPRESSURE: 2669600 -5.05671 -98.7181 116.004 -118.541 130.409 -42.9562 17.9521 68.0722 74.6111 PRESSAVG: 2669600 23.9897 -0.178663 18.5142 -0.178565 30.9497 -1.13421 18.5141 -1.13426 -7.96188 GPRESSAVG: 2669600 22.5542 -0.285924 17.5822 1.32898 30.8616 -0.504269 16.2317 -0.601762 -6.88879 TIMING: 2669600 CPU: 8044.21, 0.00302431/step Wall: 8044.21, 0.00302431/step, 1.95774 hours remaining, 208.632812 MB of memory in use. ENERGY: 2669600 768.2493 2122.9964 1935.1316 100.2077 -206092.1949 17825.6749 0.0000 0.0000 34242.8659 -149097.0693 299.0515 -183339.9351 -148997.3922 299.7100 34.4774 66.6546 556493.4633 15.6592 15.5090 PRESSURE: 2669800 -134.033 -41.6094 69.9564 -41.6093 -137.312 190.308 69.9561 190.309 -118.743 GPRESSURE: 2669800 -70.9981 3.10181 -15.0273 -42.4639 -98.2971 150.507 71.8905 128.273 -107.063 PRESSAVG: 2669800 -82.6018 16.4621 -13.9578 16.4621 22.0725 13.0043 -13.9577 13.0043 45.3275 GPRESSAVG: 2669800 -81.8618 17.5251 -14.1259 14.1276 22.1203 13.8175 -11.4139 10.5889 44.8107 TIMING: 2669800 CPU: 8044.81, 0.00297236/step Wall: 8044.81, 0.00297236/step, 1.92394 hours remaining, 208.632812 MB of memory in use. ENERGY: 2669800 770.1893 2156.9932 1937.8566 112.4652 -206045.5354 17734.6603 0.0000 0.0000 34216.4375 -149116.9333 298.8207 -183333.3708 -149022.8952 299.8574 -130.0292 -92.1193 557733.7510 -5.0673 -4.9769 PRESSURE: 2670000 -45.1138 23.2187 13.4644 23.2202 -124.304 -0.96311 13.4645 -0.963041 257.953 GPRESSURE: 2670000 -31.0835 -65.3244 61.473 88.8186 -80.8392 -1.03491 10.9409 23.6761 286.069 PRESSAVG: 2670000 39.7563 38.0739 4.29259 38.0739 -12.423 11.8838 4.29249 11.884 -57.2374 GPRESSAVG: 2670000 39.0139 37.554 3.86873 39.0376 -11.7799 12.3023 5.55464 10.6616 -57.4435 TIMING: 2670000 CPU: 8045.4, 0.00296993/step Wall: 8045.4, 0.00296993/step, 1.9222 hours remaining, 208.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2670000 722.9914 2164.6164 1923.8664 120.8945 -206260.8766 17901.9536 0.0000 0.0000 34370.9171 -149055.6373 300.1698 -183426.5544 -148957.1183 299.3233 29.5117 58.0489 556198.1340 -9.9680 -10.0698 PRESSURE: 2670200 -192.351 -15.1519 -53.6145 -15.1516 -369.962 38.9087 -53.6136 38.9077 -24.5722 GPRESSURE: 2670200 -144.108 -148.583 -105.068 116.03 -311.731 94.2958 -48.0922 16.7011 -24.7235 PRESSAVG: 2670200 88.8943 9.04248 45.5038 9.04249 -30.4526 67.7087 45.504 67.7087 -37.5774 GPRESSAVG: 2670200 87.7876 7.43208 45.277 10.6104 -30.2105 68.2828 43.6586 68.7015 -37.6383 TIMING: 2670200 CPU: 8046, 0.00298933/step Wall: 8046, 0.00298933/step, 1.93459 hours remaining, 208.632812 MB of memory in use. ENERGY: 2670200 742.8282 2131.8617 1951.4945 115.1688 -205808.1888 17541.5322 0.0000 0.0000 34336.3360 -148988.9674 299.8678 -183325.3034 -148897.6176 300.3992 -195.6283 -160.1872 557906.4697 6.9548 6.6463 PRESSURE: 2670400 11.3103 66.1671 -106.942 66.1657 -142.195 56.7378 -106.943 56.7382 -52.8083 GPRESSURE: 2670400 50.4835 19.9257 -48.5842 47.6735 -149.189 41.4322 -178.793 1.73242 -2.04863 PRESSAVG: 2670400 47.3505 49.7625 -76.7958 49.7626 -29.5908 59.9483 -76.7958 59.9482 20.1832 GPRESSAVG: 2670400 49.3285 50.3835 -76.4183 47.7421 -30.8709 58.333 -77.5809 61.0157 19.9423 TIMING: 2670400 CPU: 8046.6, 0.00299461/step Wall: 8046.6, 0.00299461/step, 1.93785 hours remaining, 208.632812 MB of memory in use. ENERGY: 2670400 805.5624 2071.2227 1935.2463 131.6586 -206016.6937 17870.9358 0.0000 0.0000 34365.1195 -148836.9484 300.1191 -183202.0678 -148738.3429 300.6503 -61.2309 -33.5848 558194.6633 12.6476 12.8000 PRESSURE: 2670600 -120.187 96.8666 74.8156 96.8669 152.671 111.337 74.8152 111.336 -92.9391 GPRESSURE: 2670600 -131.224 75.2568 -10.5076 99.9991 187.969 4.16539 119.597 195.272 -18.9828 PRESSAVG: 2670600 -30.7007 -37.627 3.87937 -37.627 29.3718 48.0553 3.87932 48.0552 27.5728 GPRESSAVG: 2670600 -32.3325 -35.8993 3.53444 -37.7713 30.0029 46.7892 4.61091 49.4244 28.6137 TIMING: 2670600 CPU: 8047.2, 0.00300197/step Wall: 8047.2, 0.00300197/step, 1.94244 hours remaining, 208.632812 MB of memory in use. ENERGY: 2670600 740.0788 2119.6668 1938.3494 118.7636 -205840.8728 17698.6811 0.0000 0.0000 34412.0861 -148813.2470 300.5293 -183225.3331 -148720.4071 300.4230 -20.1517 12.5873 558695.5031 8.7480 8.7614 PRESSURE: 2670800 -95.0802 -33.9888 -119.517 -33.9893 -35.3456 -31.1453 -119.515 -31.1465 -127.85 GPRESSURE: 2670800 -95.6118 -42.5722 -118.035 -12.4195 -5.35828 0.105341 -49.0776 -51.153 -69.8925 PRESSAVG: 2670800 -34.6011 -2.2615 -43.146 -2.26153 -39.2818 24.2933 -43.146 24.2934 80.5255 GPRESSAVG: 2670800 -34.1257 -3.07742 -43.5936 -1.57154 -39.3302 25.1983 -41.6589 23.798 79.814 TIMING: 2670800 CPU: 8047.8, 0.00302876/step Wall: 8047.8, 0.00302876/step, 1.95961 hours remaining, 208.632812 MB of memory in use. ENERGY: 2670800 794.7400 2112.7004 1946.8218 109.6610 -205905.9633 17669.7498 0.0000 0.0000 34334.1894 -148938.1009 299.8490 -183272.2903 -148843.3838 299.9433 -86.0920 -56.9542 559197.8885 2.2142 2.1194 PRESSURE: 2671000 250.466 -179.85 16.7098 -179.85 -0.0841304 69.462 16.7093 69.4632 307.595 GPRESSURE: 2671000 284.813 -227.345 -7.71364 -105.583 37.243 15.0126 1.39191 147.083 329.366 PRESSAVG: 2671000 4.20817 -75.4787 9.50934 -75.4787 -29.0519 17.364 9.50931 17.364 13.0741 GPRESSAVG: 2671000 4.08226 -76.0196 10.0126 -75.174 -29.7777 17.2672 7.32296 16.631 13.9222 TIMING: 2671000 CPU: 8048.4, 0.00300317/step Wall: 8048.4, 0.00300317/step, 1.94288 hours remaining, 208.632812 MB of memory in use. ENERGY: 2671000 790.3685 2037.6331 1925.4348 93.5644 -206552.9056 18224.8728 0.0000 0.0000 34458.0695 -149022.9627 300.9309 -183481.0322 -148931.5528 299.8202 185.9922 217.1407 557934.4789 -3.9232 -3.9244 PRESSURE: 2671200 -175.613 85.9996 40.8931 86.0008 -212.561 127.403 40.8935 127.4 -18.0423 GPRESSURE: 2671200 -132.678 191.492 57.8327 7.09257 -166.302 88.147 -33.1676 110.869 1.76854 PRESSAVG: 2671200 -31.8856 -14.0588 7.35414 -14.0588 -11.2606 10.4154 7.3542 10.4153 35.4192 GPRESSAVG: 2671200 -32.8078 -13.6377 9.23374 -13.5344 -10.5595 9.21132 6.59895 10.6051 35.2142 TIMING: 2671200 CPU: 8049, 0.00297947/step Wall: 8049, 0.00297947/step, 1.92739 hours remaining, 208.632812 MB of memory in use. ENERGY: 2671200 746.4797 2118.4257 1904.8660 111.5166 -205822.4042 17645.3601 0.0000 0.0000 34250.5600 -149045.1960 299.1187 -183295.7559 -148949.4600 299.4217 -135.4054 -99.0703 559343.8802 -2.5757 -2.7177 PRESSURE: 2671400 -125.468 -5.1548 111.942 -5.15509 153.241 90.8426 111.942 90.8431 -379.384 GPRESSURE: 2671400 -54.6329 4.47531 129.237 32.931 158.364 80.9363 129.934 18.8706 -348.26 PRESSAVG: 2671400 -55.0596 10.5119 -30.3532 10.5119 60.9894 -7.37736 -30.3532 -7.37725 44.3826 GPRESSAVG: 2671400 -53.5188 9.74198 -31.8544 10.928 60.602 -6.56653 -28.1213 -8.52927 43.898 TIMING: 2671400 CPU: 8049.59, 0.00297759/step Wall: 8049.59, 0.00297759/step, 1.926 hours remaining, 208.632812 MB of memory in use. ENERGY: 2671400 782.0236 2167.7488 1918.1294 115.8417 -206167.8064 17679.8869 0.0000 0.0000 34443.2000 -149060.9760 300.8010 -183504.1760 -148954.5280 299.4296 -117.2035 -81.5096 557407.7161 16.7708 16.9938 PRESSURE: 2671600 -59.9051 9.31456 -75.2564 9.31536 192.907 -115.923 -75.256 -115.923 -185.71 GPRESSURE: 2671600 -69.228 7.21673 -51.4167 12.5652 196.333 -77.9488 -168.714 -190.935 -86.7909 PRESSAVG: 2671600 -4.29678 19.879 -53.5435 19.879 3.77259 -38.9972 -53.5434 -38.9973 -37.3217 GPRESSAVG: 2671600 -4.28444 21.1692 -52.218 17.6391 4.13014 -35.9065 -55.0092 -39.6915 -36.9273 TIMING: 2671600 CPU: 8050.19, 0.00299291/step Wall: 8050.19, 0.00299291/step, 1.93575 hours remaining, 208.632812 MB of memory in use. ENERGY: 2671600 743.4406 2150.6171 1964.4447 126.0577 -206158.6157 17752.4573 0.0000 0.0000 34384.0124 -149037.5859 300.2841 -183421.5983 -148945.9541 299.4112 -17.5694 13.4380 557404.7147 -12.6153 -12.3605 PRESSURE: 2671800 8.52777 148.147 -87.2034 148.146 92.1796 -137.908 -87.2032 -137.909 -6.73502 GPRESSURE: 2671800 39.6357 170.254 -75.4006 74.9389 107.856 -111.54 -151.704 -123.165 39.4746 PRESSAVG: 2671800 15.9021 -3.11876 24.0835 -3.11867 2.14768 -30.7363 24.0836 -30.7362 -27.4072 GPRESSAVG: 2671800 15.4965 -2.66581 23.5431 -1.94131 3.07287 -33.5215 24.5453 -30.6633 -27.6035 TIMING: 2671800 CPU: 8050.79, 0.00298009/step Wall: 8050.79, 0.00298009/step, 1.92729 hours remaining, 208.632812 MB of memory in use. ENERGY: 2671800 738.8056 2098.0657 1915.3552 105.4372 -206452.3354 17957.5767 0.0000 0.0000 34453.8261 -149183.2689 300.8938 -183637.0950 -149087.8728 300.0990 31.3241 62.3220 556787.4830 -3.1192 -3.0114 PRESSURE: 2672000 -76.8486 95.6965 -112.395 95.6957 166.453 -75.6238 -112.397 -75.6236 -49.4697 GPRESSURE: 2672000 -60.1634 80.0999 -175.133 44.6866 235.853 -136.062 -126.453 -43.8389 -46.1343 PRESSAVG: 2672000 -30.0887 16.1884 -11.4664 16.1883 42.3088 -99.5545 -11.4664 -99.5545 30.6507 GPRESSAVG: 2672000 -29.9482 15.7211 -13.5035 15.5807 42.0078 -99.025 -11.8458 -97.9448 30.0536 TIMING: 2672000 CPU: 8051.38, 0.00293992/step Wall: 8051.38, 0.00293992/step, 1.90115 hours remaining, 208.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2672000 734.9948 2052.1281 1963.2237 118.5931 -206445.8434 17951.5399 0.0000 0.0000 34185.3072 -149440.0567 298.5488 -183625.3639 -149345.9144 299.4883 13.3782 43.1850 555749.7735 14.2903 14.0378 PRESSURE: 2672200 -78.3114 -15.2647 98.2939 -15.2649 34.8388 -136.759 98.2929 -136.759 -129.7 GPRESSURE: 2672200 -19.6619 -7.43111 115.272 6.06746 83.0962 -179.57 70.3299 -84.8043 -146.197 PRESSAVG: 2672200 21.047 -10.1102 46.5705 -10.1103 -11.6819 -38.9604 46.5704 -38.9604 7.43431 GPRESSAVG: 2672200 19.9659 -7.48004 48.3021 -11.9975 -11.9348 -38.3219 46.9734 -39.8608 8.0455 TIMING: 2672200 CPU: 8051.97, 0.00298492/step Wall: 8051.97, 0.00298492/step, 1.93008 hours remaining, 208.632812 MB of memory in use. ENERGY: 2672200 768.2051 2062.8863 1932.2043 101.3666 -206321.4418 17827.8670 0.0000 0.0000 34384.8428 -149244.0696 300.2914 -183628.9124 -149142.7701 299.4347 -57.7243 -27.5876 557568.8593 5.5998 5.3589 LDB: ============= START OF LOAD BALANCING ============== 8055.49 LDB: ============== END OF LOAD BALANCING =============== 8055.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8055.49 LDB: ============= START OF LOAD BALANCING ============== 8055.79 LDB: Largest compute 4772 load 0.028339 is 24.0% of average load 0.118076 LDB: Average compute 0.001734 is 1.5% of average load 0.118076 LDB: TIME 8055.79 LOAD: AVG 0.118076 MAX 0.207643 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.688 MB LDB: TIME 8055.79 LOAD: AVG 0.118076 MAX 0.207643 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.891 MB LDB: TIME 8055.79 LOAD: AVG 0.118076 MAX 0.207643 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.891 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8055.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8055.8 PRESSURE: 2672400 117.81 -60.8622 5.91515 -60.8622 -106.776 209.953 5.91427 209.953 425.298 GPRESSURE: 2672400 188.393 -29.381 -82.2268 -54.1304 -42.4553 197.891 -30.4884 219.193 386.163 PRESSAVG: 2672400 -3.13957 -41.5219 -31.6327 -41.522 -44.6012 -32.9835 -31.6327 -32.9835 15.316 GPRESSAVG: 2672400 -2.44982 -45.1242 -30.4806 -39.1163 -45.3362 -33.3943 -33.1465 -32.3874 15.2683 TIMING: 2672400 CPU: 8052.58, 0.00303746/step Wall: 8052.58, 0.00303746/step, 1.96389 hours remaining, 209.710938 MB of memory in use. ENERGY: 2672400 734.7282 2116.8926 1921.2691 110.7515 -206544.2039 18007.4747 0.0000 0.0000 34363.5750 -149289.5127 300.1056 -183653.0877 -149199.7103 299.2638 145.4441 177.3671 556173.6665 -10.8082 -10.8393 PRESSURE: 2672600 254.792 78.821 -215.57 78.8218 -20.4067 4.22173 -215.57 4.22225 -210.304 GPRESSURE: 2672600 276.378 -3.1013 -188.82 56.1894 -44.9455 -50.0237 -211.666 -3.6079 -99.0909 PRESSAVG: 2672600 -0.374553 1.68482 22.5247 1.68472 -11.1496 -26.738 22.5247 -26.738 30.0481 GPRESSAVG: 2672600 1.15728 4.00615 22.3929 1.04129 -10.6318 -26.8634 24.5447 -27.3053 28.4247 TIMING: 2672600 CPU: 8053.18, 0.00299729/step Wall: 8053.18, 0.00299729/step, 1.93775 hours remaining, 209.914062 MB of memory in use. ENERGY: 2672600 730.5043 2081.5435 1942.1922 121.6486 -206503.4587 17950.5745 0.0000 0.0000 34228.1558 -149448.8398 298.9230 -183676.9956 -149352.1533 299.0270 8.0272 44.1138 556964.8591 6.1747 6.3167 PRESSURE: 2672800 28.7101 219.529 -97.6284 219.528 -21.8084 -101.832 -97.6292 -101.83 62.3743 GPRESSURE: 2672800 43.1167 151.473 -90.0891 211.822 24.2515 -29.9449 -135.652 -155.878 99.9416 PRESSAVG: 2672800 35.0432 -8.13103 -33.9309 -8.13112 -61.1704 23.3684 -33.9308 23.3685 2.05579 GPRESSAVG: 2672800 34.1187 -8.64516 -34.4215 -7.99552 -61.8902 23.2759 -36.3844 22.404 3.56663 TIMING: 2672800 CPU: 8053.78, 0.00299225/step Wall: 8053.78, 0.00299225/step, 1.93433 hours remaining, 209.914062 MB of memory in use. ENERGY: 2672800 788.3843 2085.7054 1942.0287 117.4874 -206654.3230 18078.7534 0.0000 0.0000 34087.8285 -149554.1352 297.6975 -183641.9637 -149457.7895 298.7404 23.0920 55.7699 557110.3950 -8.0238 -8.0683 PRESSURE: 2673000 -88.0143 65.1285 128.415 65.1296 -100.079 -159.659 128.415 -159.66 66.4881 GPRESSURE: 2673000 -0.627967 -29.4445 93.2013 174.661 -75.4372 -115.462 220.817 -82.971 42.4102 PRESSAVG: 2673000 99.7783 54.2227 -14.6202 54.2227 -88.9063 -2.66036 -14.6202 -2.66035 -12.4923 GPRESSAVG: 2673000 99.3052 53.4487 -16.0408 55.7658 -88.2907 -2.51899 -12.5279 -1.26739 -12.1666 TIMING: 2673000 CPU: 8054.39, 0.00306084/step Wall: 8054.39, 0.00306084/step, 1.97849 hours remaining, 209.914062 MB of memory in use. ENERGY: 2673000 715.0403 2078.3379 1938.6214 117.1641 -206303.0759 17819.5687 0.0000 0.0000 33999.3368 -149635.0067 296.9247 -183634.3435 -149530.4879 297.5707 -40.5351 -11.2183 558368.8482 -0.5401 -0.3840 PRESSURE: 2673200 -12.1804 158.969 2.38333 158.969 -132.898 -21.1616 2.38457 -21.1634 142.268 GPRESSURE: 2673200 6.93091 24.9512 -9.96749 154.189 -69.5122 -30.6495 9.10779 -17.1705 145.934 PRESSAVG: 2673200 -33.4299 35.3627 2.22543 35.3626 13.5583 -20.5 2.22542 -20.5001 -24.044 GPRESSAVG: 2673200 -34.1051 35.2152 5.34954 34.1682 14.2418 -20.5155 -0.228677 -20.943 -24.4199 TIMING: 2673200 CPU: 8055, 0.00305394/step Wall: 8055, 0.00305394/step, 1.97386 hours remaining, 209.914062 MB of memory in use. ENERGY: 2673200 761.7028 2009.2704 1940.1038 124.0519 -206697.6612 17802.1894 0.0000 0.0000 34250.7151 -149809.6278 299.1200 -184060.3429 -149711.0629 297.6955 -0.9369 27.7841 557294.8207 -14.6385 -14.7611 PRESSURE: 2673400 -140.865 -112.141 -85.7509 -112.141 306.766 -155.773 -85.7521 -155.775 -254.341 GPRESSURE: 2673400 -63.8659 -90.4888 -91.6748 -158.744 292.361 -174.161 -85.3287 -169.887 -222.08 PRESSAVG: 2673400 -41.4658 -7.52652 -20.1087 -7.52647 11.7366 -39.2015 -20.1088 -39.2016 32.2251 GPRESSAVG: 2673400 -42.1018 -7.71093 -22.445 -6.83341 11.0544 -38.0932 -16.8411 -39.9845 33.2292 TIMING: 2673400 CPU: 8055.6, 0.00301005/step Wall: 8055.6, 0.00301005/step, 1.94533 hours remaining, 209.914062 MB of memory in use. ENERGY: 2673400 722.2726 2063.9195 1912.6651 120.5274 -206727.0834 17904.2870 0.0000 0.0000 34221.2086 -149782.2031 298.8623 -184003.4117 -149689.3201 297.2757 -29.4797 2.1384 556693.8479 0.8319 0.7273 PRESSURE: 2673600 90.1308 17.2551 -4.34071 17.2563 -107.602 75.5088 -4.34014 75.5061 102.689 GPRESSURE: 2673600 57.5081 -5.6933 62.7398 31.9389 6.28134 59.5906 -1.34127 94.1078 118.955 PRESSAVG: 2673600 40.8766 33.6274 -23.7066 33.6273 3.07448 12.2531 -23.7066 12.253 -13.8926 GPRESSAVG: 2673600 40.2577 34.5072 -23.2084 32.77 3.86042 10.3442 -27.4295 12.7001 -14.5314 TIMING: 2673600 CPU: 8056.2, 0.00297746/step Wall: 8056.2, 0.00297746/step, 1.9241 hours remaining, 209.914062 MB of memory in use. ENERGY: 2673600 718.4373 2078.4526 1920.9998 112.3287 -206696.4063 17868.5220 0.0000 0.0000 34218.1404 -149779.5254 298.8355 -183997.6658 -149683.8072 297.7610 28.4059 60.9150 556723.1032 10.0195 9.8622 PRESSURE: 2673800 104.586 -5.5091 52.7252 -5.50846 149.305 -36.0633 52.7265 -36.0631 -35.1817 GPRESSURE: 2673800 108.324 -26.7098 125.456 -12.0478 203.096 -23.8601 26.615 -38.9302 6.01286 PRESSAVG: 2673800 -18.2329 4.58978 -0.553871 4.58989 -15.2428 -28.3745 -0.553951 -28.3745 11.3627 GPRESSAVG: 2673800 -17.7481 2.87758 -1.07235 5.56761 -15.5181 -27.6899 1.52251 -26.4154 10.6618 TIMING: 2673800 CPU: 8056.79, 0.00295271/step Wall: 8056.79, 0.00295271/step, 1.90794 hours remaining, 209.914062 MB of memory in use. ENERGY: 2673800 783.6948 2108.7382 1903.1247 116.7193 -206987.5037 18139.7293 0.0000 0.0000 34207.6019 -149727.8955 298.7435 -183935.4974 -149627.1602 297.8818 72.9029 105.8108 556414.9983 -7.3710 -7.5348 PRESSURE: 2674000 -75.4098 146.432 -131.096 146.432 -35.53 78.7833 -131.095 78.7836 264.675 GPRESSURE: 2674000 -36.7542 169.887 -66.5595 121.456 9.97189 49.7994 -158.706 -0.627553 268.918 PRESSAVG: 2674000 -87.8457 7.35596 -0.393039 7.35601 18.1241 6.79964 -0.393011 6.79973 51.3871 GPRESSAVG: 2674000 -87.7859 8.36122 1.63629 6.42642 17.4965 5.3364 -1.90326 4.01145 51.9038 TIMING: 2674000 CPU: 8057.39, 0.00297943/step Wall: 8057.39, 0.00297943/step, 1.92504 hours remaining, 209.914062 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: 2674000 733.9301 2075.6832 1931.0325 115.3849 -206609.3306 17860.9008 0.0000 0.0000 34003.6108 -149888.7882 296.9620 -183892.3990 -149789.3403 297.7594 51.2449 80.7119 554406.5731 -6.1115 -6.1285 PRESSURE: 2674200 270.488 121.694 -6.5816 121.693 459.668 225.188 -6.58269 225.187 -78.1447 GPRESSURE: 2674200 276.106 126.183 -41.113 61.7177 484.556 173.413 -11.2569 180.978 -9.02821 PRESSAVG: 2674200 -51.9602 32.677 32.7642 32.677 59.6882 -3.93652 32.7642 -3.93646 45.5041 GPRESSAVG: 2674200 -51.7954 33.958 29.6201 32.5655 59.4443 -3.97459 35.7824 -2.76145 45.2592 TIMING: 2674200 CPU: 8057.99, 0.00302247/step Wall: 8057.99, 0.00302247/step, 1.95268 hours remaining, 209.914062 MB of memory in use. ENERGY: 2674200 760.3372 2152.4131 1918.3140 99.6062 -207011.0592 18188.0197 0.0000 0.0000 34098.1149 -149794.2540 297.7873 -183892.3689 -149702.9485 298.1292 217.3370 250.5447 554144.6908 17.7440 17.6360 PRESSURE: 2674400 -63.2783 3.27808 -63.9701 3.27997 -53.0384 188.621 -63.9712 188.623 -210.987 GPRESSURE: 2674400 -110.692 -19.9279 -114.91 -71.7941 28.1314 109.573 -52.7502 177.003 -143.433 PRESSAVG: 2674400 -5.96749 18.3376 -17.2053 18.3375 71.7385 -4.55209 -17.2053 -4.55219 -43.8034 GPRESSAVG: 2674400 -6.84575 16.4889 -16.081 17.614 72.5472 -5.34509 -20.247 -3.56879 -43.8621 TIMING: 2674400 CPU: 8058.59, 0.00300788/step Wall: 8058.59, 0.00300788/step, 1.94309 hours remaining, 209.914062 MB of memory in use. ENERGY: 2674400 742.0909 2094.1164 1919.8785 111.7230 -206372.0014 17794.2472 0.0000 0.0000 34130.5964 -149579.3489 298.0710 -183709.9453 -149482.8444 298.8578 -109.1012 -75.3312 556600.7194 7.3226 7.2798 PRESSURE: 2674600 121.126 -30.4277 88.7917 -30.4281 -9.85023 -55.0081 88.7896 -55.008 -32.4064 GPRESSURE: 2674600 102.544 -133.367 71.4904 -11.0661 65.5503 -78.7794 101.556 -11.4066 2.93935 PRESSAVG: 2674600 -43.8825 -11.1223 13.9878 -11.1222 10.9034 -3.61709 13.9877 -3.61706 23.8903 GPRESSAVG: 2674600 -43.4573 -7.96571 14.2532 -10.2626 11.5227 -2.65124 15.0181 -6.69403 23.0924 TIMING: 2674600 CPU: 8059.19, 0.00300823/step Wall: 8059.19, 0.00300823/step, 1.94315 hours remaining, 209.914062 MB of memory in use. ENERGY: 2674600 707.2362 2178.7822 1937.4531 108.5898 -206435.9832 17865.1969 0.0000 0.0000 34128.9211 -149509.8039 298.0564 -183638.7250 -149417.6593 298.5252 26.2898 57.0111 556019.4309 -3.0296 -2.9474 PRESSURE: 2674800 73.7438 -141.497 -22.9983 -141.497 1.07155 -33.0068 -22.9978 -33.0049 -185.955 GPRESSURE: 2674800 73.3139 -176.614 0.236086 -185.456 29.9856 -94.9194 -24.4473 22.3941 -120.276 PRESSAVG: 2674800 38.3879 -66.8136 -24.7173 -66.8135 16.7012 -9.54362 -24.7173 -9.54365 7.20348 GPRESSAVG: 2674800 38.0319 -70.4143 -25.3398 -66.5328 15.7621 -9.35711 -24.144 -7.68572 8.20952 TIMING: 2674800 CPU: 8059.79, 0.00300411/step Wall: 8059.79, 0.00300411/step, 1.94032 hours remaining, 209.914062 MB of memory in use. ENERGY: 2674800 737.6221 2098.7738 1927.8013 116.2064 -206544.8474 17917.7665 0.0000 0.0000 34208.5492 -149538.1280 298.7518 -183746.6773 -149443.5281 298.8728 -37.0466 -5.6589 556500.0488 20.7642 20.6678 PRESSURE: 2675000 -122.079 -67.0917 93.4373 -67.0927 105.501 -45.0516 93.4386 -45.05 -146.509 GPRESSURE: 2675000 -34.5531 7.67104 73.9934 -59.9012 106.138 -28.4427 62.5862 30.3465 -132.437 PRESSAVG: 2675000 -19.2825 -41.7819 -7.54818 -41.7818 47.0274 41.7184 -7.54819 41.7185 -43.8041 GPRESSAVG: 2675000 -18.9238 -41.4558 -8.65388 -41.7703 47.8728 39.776 -7.81118 43.1901 -44.8819 TIMING: 2675000 CPU: 8060.39, 0.00296263/step Wall: 8060.39, 0.00296263/step, 1.91336 hours remaining, 210.117188 MB of memory in use. ENERGY: 2675000 720.7939 2127.3778 1922.2906 113.5909 -206075.7847 17632.4583 0.0000 0.0000 34103.2938 -149455.9795 297.8325 -183559.2733 -149353.1722 299.0137 -54.3624 -20.2840 557162.9549 -5.3531 -5.3110 PRESSURE: 2675200 52.3108 -158.13 -83.9845 -158.13 -116.556 15.0936 -83.9844 15.0928 170.195 GPRESSURE: 2675200 100.862 -239.763 -80.4233 -221.711 -71.0981 97.1847 10.513 36.8994 182.37 PRESSAVG: 2675200 50.7493 20.9431 -30.5117 20.9433 58.2849 32.4482 -30.5117 32.4483 -65.2368 GPRESSAVG: 2675200 51.8908 22.5735 -29.8289 18.8705 56.7791 34.8646 -27.8114 31.2394 -64.5975 TIMING: 2675200 CPU: 8060.98, 0.00294721/step Wall: 8060.98, 0.00294721/step, 1.90325 hours remaining, 210.117188 MB of memory in use. ENERGY: 2675200 776.8242 2137.0387 1922.2039 102.9088 -206533.4032 17922.4145 0.0000 0.0000 34215.0702 -149456.9429 298.8087 -183672.0131 -149360.7836 299.4096 35.3166 70.7115 556642.1077 14.5991 14.6908 PRESSURE: 2675400 -37.1392 80.2731 215.411 80.2726 -70.023 -16.7168 215.411 -16.7173 -306.504 GPRESSURE: 2675400 -11.0075 -27.7233 252.541 148.517 -80.0203 -67.4811 155.771 -38.842 -228.116 PRESSAVG: 2675400 65.6043 -25.8395 8.22093 -25.8396 -42.247 49.2388 8.22085 49.2387 -27.4845 GPRESSAVG: 2675400 63.761 -26.7013 6.90307 -24.3001 -40.4507 46.9746 8.23638 50.2416 -27.2956 TIMING: 2675400 CPU: 8061.57, 0.00298219/step Wall: 8061.57, 0.00298219/step, 1.92567 hours remaining, 210.117188 MB of memory in use. ENERGY: 2675400 785.2803 2060.3147 1950.5726 120.9418 -206041.6127 17563.9346 0.0000 0.0000 34379.7111 -149180.8575 300.2466 -183560.5687 -149082.7586 299.3385 -137.8888 -106.3813 556788.4931 -1.3757 -1.3284 PRESSURE: 2675600 -237.68 99.2481 -29.2506 99.2489 -127.663 -62.0435 -29.251 -62.0429 215.178 GPRESSURE: 2675600 -175.734 197.517 26.096 6.58607 -97.674 -19.2865 -76.0479 13.6668 220.667 PRESSAVG: 2675600 26.0478 0.56802 -7.03942 0.568109 -47.2932 -7.42928 -7.03942 -7.42932 14.2567 GPRESSAVG: 2675600 27.1258 2.12291 -5.18369 -1.62059 -47.8257 -5.88147 -10.1425 -5.76151 14.4281 TIMING: 2675600 CPU: 8062.17, 0.0029741/step Wall: 8062.17, 0.0029741/step, 1.92028 hours remaining, 210.117188 MB of memory in use. ENERGY: 2675600 743.3403 2044.6493 1953.9567 118.0146 -205973.6186 17795.7568 0.0000 0.0000 34187.1325 -149130.7684 298.5647 -183317.9009 -149039.1213 299.0133 -50.0549 -17.5802 558756.8506 -2.3296 -2.0906 PRESSURE: 2675800 -72.2305 -13.1028 33.1744 -13.104 -100.533 -27.1997 33.1752 -27.2014 92.7121 GPRESSURE: 2675800 -45.8605 -7.62406 45.1517 55.1296 -73.9208 0.898641 -6.9963 -61.3057 136.539 PRESSAVG: 2675800 51.6926 0.328599 21.3668 0.328611 8.50439 -25.9288 21.3668 -25.9288 -67.1142 GPRESSAVG: 2675800 51.9139 0.855268 20.3647 2.21364 7.24764 -27.1717 22.4526 -28.5202 -66.0891 TIMING: 2675800 CPU: 8062.76, 0.00297718/step Wall: 8062.76, 0.00297718/step, 1.9221 hours remaining, 210.117188 MB of memory in use. ENERGY: 2675800 779.2551 2052.1529 1940.8290 110.0487 -205773.5627 17628.6761 0.0000 0.0000 34323.8949 -148938.7061 299.7591 -183262.6010 -148849.0948 299.7264 -26.6839 5.5857 556959.2657 -2.3057 -2.3092 PRESSURE: 2676000 -262.022 51.2424 -124.837 51.2417 47.0398 22.1067 -124.836 22.1062 -149.469 GPRESSURE: 2676000 -247.585 -31.4285 -174.584 52.3519 110.048 2.90585 -58.5995 -8.91627 -138.029 PRESSAVG: 2676000 21.7369 31.9046 40.4878 31.9047 57.239 -18.5379 40.4877 -18.5378 -37.375 GPRESSAVG: 2676000 21.7909 31.2575 41.1056 32.1187 57.5334 -18.9448 39.0895 -16.6647 -37.9642 TIMING: 2676000 CPU: 8063.36, 0.00298331/step Wall: 8063.36, 0.00298331/step, 1.92589 hours remaining, 210.117188 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: 2676000 749.4771 2162.5453 1923.7533 114.4563 -205817.6729 17617.5582 0.0000 0.0000 34212.6287 -149037.2540 298.7874 -183249.8827 -148939.9694 300.2063 -121.4838 -91.8550 557371.8582 13.8670 13.7867 PRESSURE: 2676200 79.8571 -23.6045 -56.9452 -23.6056 -212.217 -40.7545 -56.9451 -40.7547 64.0533 GPRESSURE: 2676200 127.036 -38.4585 0.733873 8.73103 -167.187 15.1124 -66.2812 -64.046 74.6493 PRESSAVG: 2676200 2.97034 -14.8809 -20.5295 -14.8809 -12.0012 -13.2294 -20.5295 -13.2294 -53.0047 GPRESSAVG: 2676200 3.25733 -13.3293 -22.4936 -16.9985 -11.9354 -12.9365 -16.7985 -17.0334 -52.9453 TIMING: 2676200 CPU: 8063.96, 0.00299705/step Wall: 8063.96, 0.00299705/step, 1.93459 hours remaining, 210.117188 MB of memory in use. ENERGY: 2676200 788.5965 2053.9186 1963.3722 111.0927 -206430.3946 17914.0273 0.0000 0.0000 34485.5261 -149113.8613 301.1707 -183599.3873 -149018.8966 299.1678 -22.7690 11.4994 556989.5967 -20.6785 -20.5411 LDB: ============= START OF LOAD BALANCING ============== 8067.48 LDB: ============== END OF LOAD BALANCING =============== 8067.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8067.48 LDB: ============= START OF LOAD BALANCING ============== 8067.78 LDB: Largest compute 4772 load 0.025667 is 21.7% of average load 0.118096 LDB: Average compute 0.001739 is 1.5% of average load 0.118096 LDB: TIME 8067.78 LOAD: AVG 0.118096 MAX 0.206994 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.227 MB LDB: TIME 8067.78 LOAD: AVG 0.118096 MAX 0.206994 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: TIME 8067.78 LOAD: AVG 0.118096 MAX 0.206994 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: ============== END OF LOAD BALANCING =============== 8067.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8067.79 PRESSURE: 2676400 44.2312 -75.111 -57.5069 -75.1108 -29.2161 10.4842 -57.5062 10.484 -72.2511 GPRESSURE: 2676400 58.0568 -19.1385 20.7217 -86.5619 12.4832 -49.8452 -73.9511 94.1708 -26.0027 PRESSAVG: 2676400 -16.7718 9.4003 12.9882 9.40018 33.0073 -51.2224 12.9882 -51.2225 23.479 GPRESSAVG: 2676400 -18.2593 8.64309 14.8914 11.2093 33.0614 -52.539 10.8646 -49.5255 24.8424 TIMING: 2676400 CPU: 8064.57, 0.00306552/step Wall: 8064.57, 0.00306552/step, 1.97862 hours remaining, 209.257812 MB of memory in use. ENERGY: 2676400 807.3700 2084.5421 1958.8689 114.9716 -206488.6232 17900.9127 0.0000 0.0000 34149.5202 -149472.4377 298.2363 -183621.9579 -149380.7351 299.3909 -19.0787 14.8458 557501.6748 13.2381 13.2149 PRESSURE: 2676600 -113.948 4.34891 -167.118 4.34961 187.262 -36.5711 -167.118 -36.5718 -86.9625 GPRESSURE: 2676600 -135.524 21.6006 -174.314 33.2853 242.731 -7.85572 -185.462 -70.9124 -20.9067 PRESSAVG: 2676600 -77.9376 -17.3224 -6.18621 -17.3223 43.91 21.0266 -6.18622 21.0266 -14.2267 GPRESSAVG: 2676600 -77.2228 -17.7546 -5.62139 -17.1135 44.0644 21.3555 -5.13562 21.4904 -15.309 TIMING: 2676600 CPU: 8065.17, 0.00297966/step Wall: 8065.17, 0.00297966/step, 1.92304 hours remaining, 209.468750 MB of memory in use. ENERGY: 2676600 765.0130 2072.9911 1960.0577 116.9569 -206278.7123 17923.3231 0.0000 0.0000 34163.8657 -149276.5048 298.3615 -183440.3705 -149179.7739 298.4802 -4.5496 28.7665 558902.8069 -16.0848 -16.1558 PRESSURE: 2676800 11.5869 -96.2199 92.0672 -96.2198 -48.4814 -135.31 92.0658 -135.308 17.9944 GPRESSURE: 2676800 -0.810076 -73.43 26.6052 -76.2792 5.47757 -113.444 70.0596 -112.227 68.6617 PRESSAVG: 2676800 -50.5781 -42.8337 -36.6195 -42.8338 58.8031 13.6308 -36.6196 13.6307 26.5504 GPRESSAVG: 2676800 -49.9605 -43.2442 -35.8973 -41.7945 58.6405 15.0043 -37.6558 12.3953 25.5549 TIMING: 2676800 CPU: 8065.77, 0.00298357/step Wall: 8065.77, 0.00298357/step, 1.9254 hours remaining, 209.468750 MB of memory in use. ENERGY: 2676800 709.4028 2098.2823 1949.1216 115.9778 -206204.4165 17850.8429 0.0000 0.0000 34039.2382 -149441.5509 297.2731 -183480.7892 -149343.9978 298.9526 -6.3000 24.4431 557734.3189 11.5918 11.4116 PRESSURE: 2677000 -106.509 122.637 36.852 122.637 195.128 -75.8715 36.8506 -75.8718 -144.649 GPRESSURE: 2677000 -98.5443 11.3586 7.44946 124.327 209.089 -158.853 11.6947 -37.0274 -79.0816 PRESSAVG: 2677000 4.67342 -58.1041 -8.70784 -58.104 20.4342 6.13233 -8.70786 6.13227 -65.2266 GPRESSAVG: 2677000 2.94491 -56.6647 -8.41498 -58.5434 19.9705 6.12117 -6.75401 4.56873 -63.3576 TIMING: 2677000 CPU: 8066.36, 0.00299519/step Wall: 8066.36, 0.00299519/step, 1.93273 hours remaining, 209.468750 MB of memory in use. ENERGY: 2677000 747.6581 2067.6287 1955.2992 110.6291 -206405.0137 17784.2464 0.0000 0.0000 34294.5051 -149445.0471 299.5024 -183739.5522 -149346.3947 298.6661 -18.6766 10.4876 556359.6033 -13.3730 -13.4807 PRESSURE: 2677200 65.9078 104.354 66.7252 104.355 116.282 3.0243 66.7252 3.02548 149.395 GPRESSURE: 2677200 94.9352 99.4032 22.8711 69.2121 124.372 -10.1563 54.1149 94.1238 197.418 PRESSAVG: 2677200 8.86183 -27.6811 41.6184 -27.6812 -11.9664 -20.6592 41.6183 -20.6592 -4.51135 GPRESSAVG: 2677200 11.0358 -27.5537 38.8265 -29.1887 -12.1881 -19.7374 40.8963 -18.7843 -6.30867 TIMING: 2677200 CPU: 8066.97, 0.00301305/step Wall: 8066.97, 0.00301305/step, 1.94409 hours remaining, 209.468750 MB of memory in use. ENERGY: 2677200 688.3909 2036.5191 1938.4224 114.3095 -206498.7498 17879.4333 0.0000 0.0000 34327.5763 -149514.0983 299.7913 -183841.6746 -149410.3698 298.7037 110.5282 138.9087 555814.7219 -2.5387 -2.4870 PRESSURE: 2677400 -234.667 -30.7037 150.431 -30.7049 -37.3317 -295.032 150.432 -295.032 -132.531 GPRESSURE: 2677400 -177.232 -104.997 153.679 91.8155 8.88352 -284.121 148.413 -305.263 -130.715 PRESSAVG: 2677400 -21.7122 11.5832 -2.80349 11.5832 -15.2975 -12.0649 -2.80347 -12.0649 18.8154 GPRESSAVG: 2677400 -22.7943 8.211 -0.155617 15.1698 -15.3824 -14.1837 -3.08243 -11.1547 19.6564 TIMING: 2677400 CPU: 8067.57, 0.00301268/step Wall: 8067.57, 0.00301268/step, 1.94368 hours remaining, 209.468750 MB of memory in use. ENERGY: 2677400 802.8234 2061.6040 1913.2010 114.1993 -206044.9443 17570.8190 0.0000 0.0000 34345.7748 -149236.5229 299.9502 -183582.2977 -149131.2157 298.9125 -134.8435 -99.6879 556175.1562 -6.0648 -6.1735 PRESSURE: 2677600 237.975 -55.8302 -86.275 -55.8302 41.922 -162.771 -86.2739 -162.772 51.7861 GPRESSURE: 2677600 285.086 -98.4564 -28.24 -0.164481 52.1067 -244.938 -23.2567 -148.664 98.206 PRESSAVG: 2677600 -24.5408 65.5667 41.7915 65.5668 16.7575 -21.7635 41.7916 -21.7634 -8.13137 GPRESSAVG: 2677600 -24.4182 67.5128 40.5557 62.6807 17.2671 -21.1128 41.6762 -21.7802 -8.17844 TIMING: 2677600 CPU: 8068.17, 0.00299348/step Wall: 8068.17, 0.00299348/step, 1.93113 hours remaining, 209.468750 MB of memory in use. ENERGY: 2677600 717.8725 2106.1029 1947.2126 103.1599 -206312.8017 17887.7603 0.0000 0.0000 34359.8997 -149190.7938 300.0735 -183550.6935 -149084.2372 300.0171 110.5611 145.1329 555944.8038 -5.3049 -5.1099 PRESSURE: 2677800 144.835 159.94 8.09206 159.939 -79.8324 47.7448 8.09161 47.7455 -79.4991 GPRESSURE: 2677800 168.215 68.745 -91.6161 116.929 23.7588 16.5271 69.0449 115.812 -111.516 PRESSAVG: 2677800 -11.5003 43.3195 -24.6901 43.3195 -26.9489 21.2145 -24.6901 21.2145 11.6818 GPRESSAVG: 2677800 -10.8115 41.6241 -24.4244 42.7939 -27.898 22.3352 -24.9465 20.6963 12.2917 TIMING: 2677800 CPU: 8068.77, 0.00300645/step Wall: 8068.77, 0.00300645/step, 1.93933 hours remaining, 209.468750 MB of memory in use. ENERGY: 2677800 718.7953 2109.0251 1960.9220 111.9168 -206081.0182 17760.6551 0.0000 0.0000 34514.0826 -148905.6214 301.4201 -183419.7039 -148809.4928 299.9172 -4.8323 26.8193 556864.0590 -8.9225 -8.8059 PRESSURE: 2678000 -124.323 28.0838 244.324 28.0832 307.937 166.499 244.324 166.498 200.674 GPRESSURE: 2678000 -112.748 29.4351 268.23 84.5301 323.781 142.018 161.653 225.699 273.867 PRESSAVG: 2678000 -25.8218 24.5105 -15.0631 24.5105 1.88228 16.1796 -15.063 16.1797 24.7297 GPRESSAVG: 2678000 -25.4621 23.1022 -14.7653 25.8643 2.6273 14.6349 -13.1964 16.6216 23.8153 TIMING: 2678000 CPU: 8069.37, 0.00301229/step Wall: 8069.37, 0.00301229/step, 1.94293 hours remaining, 209.468750 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: 2678000 730.6153 2045.2936 1954.4287 116.0650 -206399.7714 18070.2060 0.0000 0.0000 34535.8593 -148947.3034 301.6102 -183483.1627 -148855.7167 299.9494 128.0960 161.6333 555733.5873 0.2634 0.3268 PRESSURE: 2678200 -146.094 101.918 -102.083 101.918 -345.705 -121.029 -102.082 -121.029 -221.716 GPRESSURE: 2678200 -109.985 147.695 -73.9099 59.765 -289.804 -35.3456 -100.611 -135.567 -212.974 PRESSAVG: 2678200 -15.482 -4.34093 -11.357 -4.34097 -21.4221 41.2963 -11.357 41.2964 19.7924 GPRESSAVG: 2678200 -16.4266 0.229954 -10.9842 -5.77871 -22.2441 43.4776 -14.4283 39.2778 21.3918 TIMING: 2678200 CPU: 8069.97, 0.00297861/step Wall: 8069.97, 0.00297861/step, 1.92104 hours remaining, 209.468750 MB of memory in use. ENERGY: 2678200 768.3150 1970.9440 1923.6060 118.7362 -205328.1312 17376.6473 0.0000 0.0000 34188.6163 -148981.2664 298.5777 -183169.8828 -148879.4838 299.8150 -237.8383 -204.2542 558542.9923 -5.7039 -5.7596 PRESSURE: 2678400 -369.765 240.355 -35.0319 240.355 -10.6205 72.0314 -35.0332 72.033 -123.464 GPRESSURE: 2678400 -353.107 192.516 -97.503 256.439 31.6649 177.316 -40.5017 6.49793 -86.9167 PRESSAVG: 2678400 -48.7469 55.5553 -46.8895 55.5554 25.9551 -9.961 -46.8895 -9.96091 49.194 GPRESSAVG: 2678400 -48.4605 52.6099 -46.9979 55.9896 26.0078 -9.26883 -45.9118 -11.6308 48.4533 TIMING: 2678400 CPU: 8070.57, 0.00299135/step Wall: 8070.57, 0.00299135/step, 1.92909 hours remaining, 209.468750 MB of memory in use. ENERGY: 2678400 734.7122 2136.9239 1951.6074 118.9897 -205955.4099 17601.9120 0.0000 0.0000 34406.9211 -149004.3437 300.4842 -183411.2649 -148909.3650 300.1325 -167.9500 -136.1195 558669.0014 8.8007 8.6669 PRESSURE: 2678600 -456.027 -104.537 -91.2138 -104.538 -242.495 9.97388 -91.2129 9.97261 19.8004 GPRESSURE: 2678600 -386.253 -73.4159 -40.1885 -115.725 -249.429 28.733 -126.252 -1.91076 55.8022 PRESSAVG: 2678600 -51.8 4.48337 -18.5315 4.4834 17.2906 4.80987 -18.5315 4.80982 30.2852 GPRESSAVG: 2678600 -52.1387 4.95711 -20.2279 4.61357 16.6055 4.7671 -16.2356 6.212 31.0495 TIMING: 2678600 CPU: 8071.18, 0.00305126/step Wall: 8071.18, 0.00305126/step, 1.96755 hours remaining, 209.468750 MB of memory in use. ENERGY: 2678600 738.1535 2106.4640 1954.6638 108.5887 -205630.2809 17468.0154 0.0000 0.0000 34324.4826 -148929.9129 299.7642 -183254.3954 -148837.7635 300.9401 -226.2407 -193.2933 558746.8400 -1.4081 -1.4946 PRESSURE: 2678800 169.677 -39.4663 91.4098 -39.4668 121.555 -53.8011 91.4097 -53.8017 123.929 GPRESSURE: 2678800 232.859 -71.3497 57.2774 -101.005 103.639 -6.55847 66.1815 -33.2708 183.192 PRESSAVG: 2678800 -28.9121 -11.0316 15.1428 -11.0316 -45.0127 -5.6363 15.1427 -5.63631 28.8063 GPRESSAVG: 2678800 -29.0718 -12.2236 16.1787 -9.41853 -43.8433 -7.17878 12.4522 -4.60407 27.9483 TIMING: 2678800 CPU: 8071.78, 0.0030344/step Wall: 8071.78, 0.0030344/step, 1.95651 hours remaining, 209.468750 MB of memory in use. ENERGY: 2678800 746.8588 2091.1752 1932.7881 115.4781 -206398.8285 18153.5044 0.0000 0.0000 34339.9406 -149019.0832 299.8992 -183359.0238 -148929.9554 300.3892 138.3868 173.2299 557260.7399 -15.0395 -14.9890 PRESSURE: 2679000 113.382 22.7903 -58.5941 22.791 118.166 -118.467 -58.5943 -118.466 161.156 GPRESSURE: 2679000 123.714 -11.3948 0.73121 32.1137 167.901 -86.2468 -108.754 -140.556 196.691 PRESSAVG: 2679000 11.1994 -38.4857 41.2857 -38.4856 26.0231 -4.17273 41.2857 -4.1727 38.2026 GPRESSAVG: 2679000 11.8105 -36.6968 38.7257 -37.6043 26.0801 -2.1578 42.9786 -4.71551 37.5427 TIMING: 2679000 CPU: 8072.39, 0.00302778/step Wall: 8072.39, 0.00302778/step, 1.95208 hours remaining, 209.468750 MB of memory in use. ENERGY: 2679000 729.2124 2087.3122 1933.6177 108.0341 -206168.2447 18043.0205 0.0000 0.0000 34142.5290 -149124.5188 298.1752 -183267.0477 -149027.7752 299.9817 130.9011 162.7689 558372.6570 25.1417 25.1444 PRESSURE: 2679200 54.9279 107.881 38.7632 107.879 138.131 -142.095 38.7605 -142.096 129.727 GPRESSURE: 2679200 54.8845 39.9304 36.4425 153.127 139.151 -232.938 37.7922 -142.02 224.746 PRESSAVG: 2679200 -16.6431 -40.9936 -41.1473 -40.9935 8.76593 -63.9347 -41.1473 -63.9346 47.0531 GPRESSAVG: 2679200 -16.0037 -39.0502 -38.2703 -43.1656 8.36078 -64.0588 -42.23 -64.7097 47.2852 TIMING: 2679200 CPU: 8072.99, 0.00300864/step Wall: 8072.99, 0.00300864/step, 1.93957 hours remaining, 209.468750 MB of memory in use. ENERGY: 2679200 727.2114 2039.7197 1935.3494 111.0643 -206438.6155 18033.6209 0.0000 0.0000 34480.5177 -149111.1321 301.1269 -183591.6498 -149010.9219 298.8450 107.5951 139.5936 557650.2398 13.0586 13.2141 PRESSURE: 2679400 -19.2988 -106.108 -189.435 -106.107 168.345 8.93456 -189.436 8.93448 -202.364 GPRESSURE: 2679400 67.2885 -119.686 -227.144 -77.1726 221.985 13.1904 -226.134 -15.4559 -242.784 PRESSAVG: 2679400 -50.189 -5.02919 -40.777 -5.02921 24.1384 4.88812 -40.7771 4.88816 -2.02566 GPRESSAVG: 2679400 -49.6133 -7.08693 -42.9539 -3.39877 24.4373 3.16692 -38.9256 6.39139 -3.11973 TIMING: 2679400 CPU: 8073.59, 0.00300973/step Wall: 8073.59, 0.00300973/step, 1.9401 hours remaining, 209.468750 MB of memory in use. ENERGY: 2679400 729.0369 2087.2634 1949.0925 110.0870 -206350.0903 17859.4968 0.0000 0.0000 34383.7765 -149231.3372 300.2821 -183615.1138 -149143.2966 298.9081 -17.7723 15.4963 557555.3291 -9.3588 -9.4319 PRESSURE: 2679600 -80.4248 76.4972 -53.1266 76.4971 183.362 0.731902 -53.1266 0.731441 155.774 GPRESSURE: 2679600 -62.896 79.291 -91.1218 12.0277 283.342 48.979 -13.6994 11.6339 131.197 PRESSAVG: 2679600 -32.8365 -14.346 1.81537 -14.346 64.4859 -6.00318 1.81537 -6.00322 5.96933 GPRESSAVG: 2679600 -35.1435 -11.3442 3.04212 -16.1798 64.778 -7.50509 0.917017 -4.80417 7.92033 TIMING: 2679600 CPU: 8074.2, 0.00301711/step Wall: 8074.2, 0.00301711/step, 1.94469 hours remaining, 209.468750 MB of memory in use. ENERGY: 2679600 711.8980 2114.4976 1959.0011 110.3309 -206485.7731 18042.8327 0.0000 0.0000 34299.4306 -149247.7821 299.5455 -183547.2127 -149151.7726 299.6487 86.2374 117.2143 557790.9961 12.5396 12.5183 PRESSURE: 2679800 -280.795 -18.6952 -56.1328 -18.6951 -167.676 85.6119 -56.1321 85.612 -53.584 GPRESSURE: 2679800 -255.615 -1.96329 29.2727 -24.95 -212.593 90.0144 -78.9943 34.4127 60.0608 PRESSAVG: 2679800 -34.7804 -10.4907 -48.4709 -10.4907 30.8231 11.8624 -48.4709 11.8624 -11.3734 GPRESSAVG: 2679800 -34.5752 -12.443 -47.7071 -10.3252 30.4212 14.9714 -51.2593 11.018 -11.1708 TIMING: 2679800 CPU: 8074.81, 0.00305026/step Wall: 8074.81, 0.00305026/step, 1.96589 hours remaining, 209.468750 MB of memory in use. ENERGY: 2679800 746.9637 2068.7012 1926.1613 111.2731 -205840.6106 17635.1422 0.0000 0.0000 34163.6327 -149188.7365 298.3595 -183352.3692 -149087.1835 299.0051 -167.3515 -136.0490 560164.4436 -5.1103 -5.1083 PRESSURE: 2680000 192.865 -284.023 161.082 -284.023 -43.9657 102.434 161.081 102.435 79.4589 GPRESSURE: 2680000 210.693 -281.917 144.017 -317.058 -64.6386 88.2876 244.58 147.805 182.61 PRESSAVG: 2680000 -12.6571 -17.1822 27.2587 -17.1822 70.476 -21.5693 27.2586 -21.5694 -19.386 GPRESSAVG: 2680000 -10.5439 -15.1108 25.7772 -17.2489 70.3304 -21.4716 29.5016 -23.2619 -21.1049 TIMING: 2680000 CPU: 8075.41, 0.00303783/step Wall: 8075.41, 0.00303783/step, 1.95771 hours remaining, 209.468750 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: 2680000 734.7320 2057.7514 1936.3412 114.9220 -206245.4202 17779.1447 0.0000 0.0000 34341.5740 -149280.9550 299.9135 -183622.5290 -149180.0052 299.2575 76.1194 109.5546 556294.2214 12.8109 12.8939 PRESSURE: 2680200 -187.346 -99.1603 69.8426 -99.16 -155.356 -104.238 69.8437 -104.238 345.445 GPRESSURE: 2680200 -153.976 -63.0074 46.8976 -100.045 -117.521 2.00541 -6.80703 -102.765 378.066 PRESSAVG: 2680200 -2.72576 -91.5192 -3.62346 -91.5191 -30.4765 -61.417 -3.62348 -61.4169 25.5314 GPRESSAVG: 2680200 -4.42956 -94.9934 -2.67609 -89.7473 -30.3734 -60.7253 -3.25911 -62.577 27.1181 TIMING: 2680200 CPU: 8076.01, 0.00300118/step Wall: 8076.01, 0.00300118/step, 1.93393 hours remaining, 209.468750 MB of memory in use. ENERGY: 2680200 751.5607 2062.2134 1929.1111 117.9575 -205945.9172 17675.2048 0.0000 0.0000 34392.4239 -149017.4459 300.3576 -183409.8698 -148913.2268 299.0304 0.9141 35.5232 556409.9510 -2.5569 -2.5616 LDB: ============= START OF LOAD BALANCING ============== 8079.53 LDB: ============== END OF LOAD BALANCING =============== 8079.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8079.53 LDB: ============= START OF LOAD BALANCING ============== 8079.83 LDB: Largest compute 4801 load 0.024156 is 20.5% of average load 0.118087 LDB: Average compute 0.001720 is 1.5% of average load 0.118087 LDB: TIME 8079.83 LOAD: AVG 0.118087 MAX 0.207482 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.996 MB LDB: TIME 8079.83 LOAD: AVG 0.118087 MAX 0.207482 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: TIME 8079.83 LOAD: AVG 0.118087 MAX 0.207482 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8079.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8079.84 PRESSURE: 2680400 123.434 -164.782 42.5961 -164.782 44.2454 -17.7727 42.5961 -17.773 146.649 GPRESSURE: 2680400 166.923 -202.313 -53.1089 -126.149 85.0141 -48.0883 83.1163 66.2154 169.268 PRESSAVG: 2680400 3.37824 -42.371 -36.3442 -42.371 31.8402 -50.651 -36.3442 -50.6511 -51.4963 GPRESSAVG: 2680400 3.85423 -39.4808 -36.7262 -43.9992 31.739 -50.8308 -37.6203 -49.1264 -52.2507 TIMING: 2680400 CPU: 8076.62, 0.00304089/step Wall: 8076.62, 0.00304089/step, 1.95934 hours remaining, 208.488281 MB of memory in use. ENERGY: 2680400 719.9765 2123.3801 1917.0389 113.3835 -205843.3897 17792.4700 0.0000 0.0000 34258.4613 -148918.6796 299.1877 -183177.1408 -148829.2055 299.8514 104.7761 140.4015 557959.4598 -5.4259 -5.5525 PRESSURE: 2680600 -182.547 106.32 192.858 106.32 92.7961 119.705 192.858 119.705 -72.6866 GPRESSURE: 2680600 -65.1006 144.799 231.478 41.2483 118.678 167.039 108.835 3.39453 -125.412 PRESSAVG: 2680600 14.6728 -5.06765 -35.8552 -5.06775 -61.1324 -67.4605 -35.855 -67.4606 65.1202 GPRESSAVG: 2680600 14.911 -6.30599 -36.1975 -5.8206 -60.4193 -68.6514 -36.1159 -66.9372 64.3522 TIMING: 2680600 CPU: 8077.22, 0.00298971/step Wall: 8077.22, 0.00298971/step, 1.92621 hours remaining, 208.691406 MB of memory in use. ENERGY: 2680600 725.6570 2122.8503 1948.9013 111.7425 -205859.3725 17736.5956 0.0000 0.0000 34163.2866 -149050.3393 298.3565 -183213.6259 -148955.2988 300.2958 -54.1460 -23.9447 558958.0863 6.2202 6.2813 PRESSURE: 2680800 31.3902 107.375 49.8162 107.375 -8.19597 1.17722 49.816 1.17711 -36.7194 GPRESSURE: 2680800 60.7596 105.482 8.57782 105.257 52.4854 -41.5178 70.6627 -58.8703 -29.1558 PRESSAVG: 2680800 -44.4195 -20.9193 -27.6625 -20.9194 75.4427 31.2621 -27.6625 31.262 -31.8827 GPRESSAVG: 2680800 -44.9122 -21.6408 -28.1321 -18.9611 76.0202 29.4906 -27.8986 30.8962 -31.3846 TIMING: 2680800 CPU: 8077.82, 0.00300337/step Wall: 8077.82, 0.00300337/step, 1.93484 hours remaining, 208.691406 MB of memory in use. ENERGY: 2680800 700.4448 2035.5226 1940.4355 119.9826 -205982.8974 17716.3429 0.0000 0.0000 34380.9388 -149089.2301 300.2573 -183470.1690 -148987.1730 299.5674 -4.5084 28.0297 559374.4257 -0.2865 -0.0922 PRESSURE: 2681000 50.7534 94.1149 120.73 94.1142 74.5556 -78.801 120.73 -78.8025 235.246 GPRESSURE: 2681000 38.7566 89.6239 12.3019 166.038 126.572 -32.2364 168.051 -4.04547 284.046 PRESSAVG: 2681000 -1.08205 8.14226 -17.7761 8.1422 68.0978 24.8926 -17.7761 24.8927 -19.5093 GPRESSAVG: 2681000 -1.83118 9.48588 -17.5967 7.02389 67.8172 25.4578 -16.9279 25.8989 -18.3285 TIMING: 2681000 CPU: 8078.43, 0.00305162/step Wall: 8078.43, 0.00305162/step, 1.96575 hours remaining, 208.691406 MB of memory in use. ENERGY: 2681000 763.8754 2058.4352 1941.1585 113.7909 -206461.1039 18151.7733 0.0000 0.0000 34197.2179 -149234.8527 298.6528 -183432.0706 -149141.1568 298.9784 120.1851 149.7916 558178.5649 15.8355 15.8858 PRESSURE: 2681200 -110.993 -43.0339 -67.0347 -43.0338 39.5554 128.525 -67.0339 128.523 195.347 GPRESSURE: 2681200 -79.5788 -107.6 -10.4763 63.6507 59.5573 115.511 -61.0808 199.49 240.525 PRESSAVG: 2681200 -51.4278 -22.2593 -5.78187 -22.2593 51.6613 28.979 -5.78179 28.979 65.7992 GPRESSAVG: 2681200 -50.3582 -24.4384 -5.74924 -20.5313 51.0142 29.8844 -6.36665 29.472 65.8758 TIMING: 2681200 CPU: 8079.03, 0.00300578/step Wall: 8079.03, 0.00300578/step, 1.93606 hours remaining, 208.691406 MB of memory in use. ENERGY: 2681200 717.7683 2047.5566 1913.7090 104.2655 -206255.9300 17932.3148 0.0000 0.0000 34487.6419 -149052.6739 301.1892 -183540.3158 -148947.8354 298.8287 41.3033 73.5012 558296.0293 22.0109 22.1773 PRESSURE: 2681400 -55.3663 -73.4177 30.793 -73.4184 238.818 142.505 30.7939 142.505 -29.7872 GPRESSURE: 2681400 -36.307 -47.7992 -39.9653 -136.759 288.277 59.6987 56.6351 245.916 -1.60286 PRESSAVG: 2681400 -20.6951 -24.6977 -49.7272 -24.6978 -0.301397 42.0556 -49.7272 42.0555 -4.95352 GPRESSAVG: 2681400 -20.239 -24.0883 -49.9871 -24.7596 -0.239857 38.9878 -47.8532 42.89 -5.64781 TIMING: 2681400 CPU: 8079.63, 0.0029898/step Wall: 8079.63, 0.0029898/step, 1.9256 hours remaining, 208.691406 MB of memory in use. ENERGY: 2681400 724.0545 2115.5134 1901.5960 108.5364 -206501.0514 18112.0458 0.0000 0.0000 34419.4464 -149119.8590 300.5936 -183539.3054 -149017.9262 299.4581 51.2215 83.4558 558909.4946 -8.6500 -8.7089 PRESSURE: 2681600 -181.567 96.5032 30.14 96.5036 -272.235 -40.3516 30.1397 -40.35 -173.71 GPRESSURE: 2681600 -155.592 163.412 24.1523 169.35 -289.644 -128.342 -22.0849 -61.2233 -73.0945 PRESSAVG: 2681600 1.84749 9.89588 4.62906 9.89584 63.7974 47.4355 4.62906 47.4355 -62.5615 GPRESSAVG: 2681600 2.02393 10.3434 5.35836 10.2185 63.647 49.822 3.4162 46.4059 -63.173 TIMING: 2681600 CPU: 8080.22, 0.00296257/step Wall: 8080.22, 0.00296257/step, 1.9079 hours remaining, 208.691406 MB of memory in use. ENERGY: 2681600 740.8131 2096.4520 1935.0018 109.8887 -205721.3308 17649.4921 0.0000 0.0000 34039.5495 -149150.1336 297.2759 -183189.6830 -149057.2580 299.7461 -209.1705 -172.7767 560383.7181 1.0278 0.8326 PRESSURE: 2681800 172.69 35.728 15.1359 35.728 -51.8675 51.2564 15.136 51.2562 -172.838 GPRESSURE: 2681800 204.54 -13.9704 40.4544 1.10173 1.79436 139.983 55.1595 -32.1578 -176.582 PRESSAVG: 2681800 61.4379 32.642 -6.17039 32.642 28.4602 16.9028 -6.17033 16.9026 -40.8084 GPRESSAVG: 2681800 61.443 33.2158 -7.55814 31.9111 28.6395 15.4868 -5.89715 16.1639 -41.2986 TIMING: 2681800 CPU: 8080.81, 0.0029556/step Wall: 8080.81, 0.0029556/step, 1.90324 hours remaining, 208.691406 MB of memory in use. ENERGY: 2681800 718.5221 2094.7680 1928.6062 113.0904 -206227.8565 17844.5791 0.0000 0.0000 34369.4784 -149158.8123 300.1572 -183528.2907 -149058.1343 298.8815 -17.3384 9.9176 558999.9455 16.3633 16.2613 PRESSURE: 2682000 171.107 38.5439 48.5874 38.5439 276.594 -170.146 48.5884 -170.145 -182.124 GPRESSURE: 2682000 199.872 46.15 143.886 98.1772 263.18 -124.716 35.3164 -100.682 -97.7488 PRESSAVG: 2682000 -8.67614 46.9161 24.9588 46.9162 47.7888 -3.06525 24.9588 -3.06532 -42.1583 GPRESSAVG: 2682000 -10.5836 48.0727 24.384 45.6751 48.6407 0.827192 24.7199 -4.5977 -41.2531 TIMING: 2682000 CPU: 8081.41, 0.00296514/step Wall: 8081.41, 0.00296514/step, 1.90922 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: 2682000 720.0876 2055.4870 1957.0439 107.8269 -206667.8607 18222.8785 0.0000 0.0000 34364.4064 -149240.1303 300.1129 -183604.5368 -149141.2992 299.0153 88.5259 121.7677 558879.0853 -1.0152 -1.0653 PRESSURE: 2682200 33.025 27.9417 136.877 27.9437 13.0522 20.1973 136.877 20.1973 163.803 GPRESSURE: 2682200 103.551 -58.3256 203.575 50.9697 49.479 38.6243 196.041 -28.4926 155.349 PRESSAVG: 2682200 -80.3401 -27.9108 77.4731 -27.9107 17.7357 -2.74691 77.4731 -2.74685 33.7689 GPRESSAVG: 2682200 -78.2876 -28.8252 76.7437 -26.3589 15.1961 -5.37894 78.6438 -2.21558 33.9927 TIMING: 2682200 CPU: 8082, 0.00297777/step Wall: 8082, 0.00297777/step, 1.91719 hours remaining, 208.691406 MB of memory in use. ENERGY: 2682200 761.0361 2106.8443 1948.4521 119.4184 -206297.6604 17902.6717 0.0000 0.0000 34190.3057 -149268.9320 298.5924 -183459.2376 -149177.1898 299.0266 69.9602 102.7932 558688.4890 -9.6118 -9.6996 PRESSURE: 2682400 6.32312 73.5999 31.0418 73.599 71.5516 37.2036 31.0407 37.2022 -41.3829 GPRESSURE: 2682400 -29.7301 -77.6267 -5.98535 108.691 147.479 51.3296 22.5697 127.436 3.57921 PRESSAVG: 2682400 3.68211 37.6033 46.5124 37.6033 27.7601 11.7669 46.5124 11.767 -40.2748 GPRESSAVG: 2682400 3.32924 37.1787 47.1583 39.1477 30.2973 12.0907 46.0125 14.0906 -41.8935 TIMING: 2682400 CPU: 8082.59, 0.00296042/step Wall: 8082.59, 0.00296042/step, 1.90585 hours remaining, 208.691406 MB of memory in use. ENERGY: 2682400 781.7845 2088.5200 1914.3493 106.5794 -206160.4530 17710.8672 0.0000 0.0000 34220.0338 -149338.3190 298.8521 -183558.3527 -149238.9905 299.2789 12.1639 40.4426 558732.7115 -2.9442 -2.7557 PRESSURE: 2682600 1.314 -94.1757 -54.7377 -94.1744 -137.854 64.1599 -54.7376 64.1608 18.7529 GPRESSURE: 2682600 49.7105 -150.125 -33.7605 -72.4662 -120.653 -11.0294 -61.9462 111.912 43.4891 PRESSAVG: 2682600 22.2119 16.1282 10.492 16.1282 38.0859 26.9308 10.492 26.9307 -46.2731 GPRESSAVG: 2682600 21.8012 16.8161 13.0374 13.2673 36.5007 24.6021 9.15169 25.7692 -44.4108 TIMING: 2682600 CPU: 8083.19, 0.00296226/step Wall: 8083.19, 0.00296226/step, 1.90687 hours remaining, 208.691406 MB of memory in use. ENERGY: 2682600 760.6680 2105.7207 1919.7061 111.0386 -206360.8155 17846.6444 0.0000 0.0000 34365.3104 -149251.7272 300.1208 -183617.0376 -149160.5399 299.1730 -39.2623 -9.1510 558836.5696 4.6749 4.6304 PRESSURE: 2682800 222.469 51.8189 -57.167 51.8196 219.419 18.8968 -57.1674 18.8939 -1.03929 GPRESSURE: 2682800 243.343 70.5445 -65.1899 114.091 265.915 -54.0037 -31.79 49.9966 22.8893 PRESSAVG: 2682800 -7.81771 -24.6197 2.27811 -24.6197 13.4704 16.7581 2.27822 16.7582 14.1651 GPRESSAVG: 2682800 -6.69343 -26.0678 3.25086 -23.2116 13.5054 20.3669 1.4485 14.1892 13.6193 TIMING: 2682800 CPU: 8083.78, 0.00298305/step Wall: 8083.78, 0.00298305/step, 1.92009 hours remaining, 208.691406 MB of memory in use. ENERGY: 2682800 741.1714 2103.2554 1935.1687 116.0272 -206602.6786 17981.9962 0.0000 0.0000 34308.4877 -149416.5720 299.6246 -183725.0597 -149313.4185 299.1107 146.9496 177.3824 557759.4891 6.6059 6.8104 PRESSURE: 2683000 -122.152 91.8838 44.3548 91.8843 -130.178 -119.04 44.3548 -119.042 -119.974 GPRESSURE: 2683000 -87.875 119.322 -11.9791 -119.526 -126.351 -227.794 24.9807 -26.5997 -61.7933 PRESSAVG: 2683000 16.9666 2.31408 -4.0799 2.31408 -11.8193 36.4123 -4.07993 36.4124 -19.5072 GPRESSAVG: 2683000 16.2254 5.12197 -6.05465 0.682641 -11.4999 34.2135 -2.7017 39.6527 -18.7662 TIMING: 2683000 CPU: 8084.38, 0.00301047/step Wall: 8084.38, 0.00301047/step, 1.93757 hours remaining, 208.691406 MB of memory in use. ENERGY: 2683000 759.8933 2057.1728 1947.1542 119.1708 -206113.5471 17607.6302 0.0000 0.0000 34248.9480 -149373.5779 299.1046 -183622.5258 -149283.4176 298.8000 -124.1012 -92.0066 556359.3484 -4.7866 -4.6802 PRESSURE: 2683200 -209.41 104.26 3.17325 104.261 89.7952 3.91756 3.17282 3.91763 -111.892 GPRESSURE: 2683200 -201.779 32.5609 11.7658 189.939 105.665 -16.9568 -4.74445 11.8669 -40.7734 PRESSAVG: 2683200 -10.209 49.5984 24.4768 49.5983 -16.276 -31.2446 24.477 -31.2446 -18.9319 GPRESSAVG: 2683200 -9.83922 47.5728 24.9186 51.3303 -16.232 -28.4118 21.4315 -32.8885 -19.1857 TIMING: 2683200 CPU: 8084.98, 0.00298267/step Wall: 8084.98, 0.00298267/step, 1.91952 hours remaining, 208.691406 MB of memory in use. ENERGY: 2683200 727.8630 2164.4683 1930.1681 110.1282 -206069.1884 17636.8087 0.0000 0.0000 34164.7701 -149334.9819 298.3694 -183499.7520 -149233.2653 299.3563 -77.1689 -45.6292 557437.8258 -15.1390 -15.0857 PRESSURE: 2683400 17.9816 19.3796 30.1496 19.3799 5.93277 31.3621 30.1503 31.3629 -12.9976 GPRESSURE: 2683400 55.3883 42.7547 5.97882 -55.8006 80.8736 -48.0666 36.9697 38.9459 -12.5201 PRESSAVG: 2683400 -36.7477 7.20249 8.93931 7.20245 41.2646 -40.3735 8.93934 -40.3735 9.8173 GPRESSAVG: 2683400 -37.6602 7.25208 7.57773 6.20733 40.0991 -42.3546 11.6542 -39.9602 10.9071 TIMING: 2683400 CPU: 8085.57, 0.00296572/step Wall: 8085.57, 0.00296572/step, 1.90844 hours remaining, 208.691406 MB of memory in use. ENERGY: 2683400 738.8241 2121.9145 1944.9175 110.6537 -206649.9541 17880.6791 0.0000 0.0000 34294.5285 -149558.4367 299.5026 -183852.9653 -149458.1525 299.2924 3.6389 41.2473 555611.4877 4.7781 4.4487 PRESSURE: 2683600 117.026 -19.5493 -190.166 -19.5496 -73.1302 151.976 -190.166 151.974 -65.9499 GPRESSURE: 2683600 147.772 75.578 -135.043 -86.3965 -67.221 204.805 -189.269 106.038 -14.6373 PRESSAVG: 2683600 28.4998 19.3041 -14.9528 19.3041 49.9879 46.7068 -14.9528 46.7067 -18.773 GPRESSAVG: 2683600 29.7359 20.9532 -13.7636 18.116 50.0616 46.24 -16.5485 47.5205 -19.3762 TIMING: 2683600 CPU: 8086.17, 0.00296745/step Wall: 8086.17, 0.00296745/step, 1.90939 hours remaining, 208.691406 MB of memory in use. ENERGY: 2683600 740.8140 2053.9492 1950.2173 107.1155 -206491.0630 17839.9989 0.0000 0.0000 34329.6783 -149469.2898 299.8096 -183798.9681 -149365.1156 298.6720 -7.3513 21.9714 556473.5642 19.9049 20.1405 PRESSURE: 2683800 -121.379 -131.033 -22.8225 -131.034 -252.29 60.9749 -22.8229 60.9745 138.142 GPRESSURE: 2683800 -131.041 -125.365 27.1567 -169.702 -208.857 63.9698 -21.0914 2.53039 196.107 PRESSAVG: 2683800 -21.8546 -4.15038 -6.71773 -4.15031 -6.48914 -22.5476 -6.7177 -22.5475 25.3485 GPRESSAVG: 2683800 -22.7883 -4.74413 -6.80965 -4.87107 -4.86423 -23.3227 -3.98651 -21.1725 24.9584 TIMING: 2683800 CPU: 8086.77, 0.00302496/step Wall: 8086.77, 0.00302496/step, 1.94622 hours remaining, 208.691406 MB of memory in use. ENERGY: 2683800 730.5077 2119.3501 1941.1496 108.8888 -206420.8713 17726.0300 0.0000 0.0000 34213.8940 -149581.0511 298.7984 -183794.9451 -149486.6927 298.1177 -78.5092 -47.9302 558363.9810 -0.9984 -0.8980 PRESSURE: 2684000 280.789 -2.06255 -44.4669 -2.06271 117.217 -142.846 -44.4664 -142.846 82.3649 GPRESSURE: 2684000 280.134 30.5828 2.56237 -7.40951 123.84 -250.611 -77.8676 -69.5608 167.355 PRESSAVG: 2684000 13.9898 -46.9302 21.555 -46.9303 -8.72221 1.13599 21.555 1.13601 13.4697 GPRESSAVG: 2684000 14.8873 -48.0375 17.8519 -45.4723 -10.4688 1.37521 21.4999 -0.36703 13.9632 TIMING: 2684000 CPU: 8087.37, 0.00299799/step Wall: 8087.37, 0.00299799/step, 1.92871 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: 2684000 716.4231 2093.5286 1979.2864 122.0581 -206581.5908 18128.8083 0.0000 0.0000 34136.8627 -149404.6236 298.1257 -183541.4862 -149312.0304 298.5888 160.1236 190.4432 557359.3758 6.2458 6.1272 PRESSURE: 2684200 72.2199 68.1086 -22.8687 68.1086 232.737 124.462 -22.8693 124.458 72.7701 GPRESSURE: 2684200 73.6334 127.404 -7.69093 116.893 323.377 131.554 -9.7457 112.457 93.1133 PRESSAVG: 2684200 -15.6786 73.3652 14.3442 73.3652 -10.5363 18.2153 14.3442 18.2153 -15.0216 GPRESSAVG: 2684200 -14.9792 74.4009 15.6578 73.5566 -10.0065 18.4888 13.4853 16.5156 -16.0702 TIMING: 2684200 CPU: 8087.97, 0.00300223/step Wall: 8087.97, 0.00300223/step, 1.93127 hours remaining, 208.691406 MB of memory in use. ENERGY: 2684200 682.7604 2080.2994 1956.3938 121.2132 -206753.5363 18220.8865 0.0000 0.0000 34246.3511 -149445.6320 299.0819 -183691.9831 -149349.6354 298.5960 125.9088 163.3745 557412.0270 -13.7455 -13.6853 LDB: ============= START OF LOAD BALANCING ============== 8091.49 LDB: ============== END OF LOAD BALANCING =============== 8091.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8091.49 LDB: ============= START OF LOAD BALANCING ============== 8091.8 LDB: Largest compute 4772 load 0.024931 is 21.1% of average load 0.118098 LDB: Average compute 0.001732 is 1.5% of average load 0.118098 LDB: TIME 8091.8 LOAD: AVG 0.118098 MAX 0.209661 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 212.082 MB LDB: TIME 8091.8 LOAD: AVG 0.118098 MAX 0.209661 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 212.152 MB LDB: TIME 8091.8 LOAD: AVG 0.118098 MAX 0.209661 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 212.152 MB LDB: ============== END OF LOAD BALANCING =============== 8091.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8091.81 PRESSURE: 2684400 185.789 232.035 -46.0921 232.033 117.037 44.4521 -46.092 44.4506 44.1185 GPRESSURE: 2684400 202.996 310.9 -48.3594 206.192 89.0625 71.3658 -86.8474 11.7654 143.471 PRESSAVG: 2684400 11.3958 58.5203 12.1494 58.5203 7.96956 44.3808 12.1494 44.3809 15.6644 GPRESSAVG: 2684400 9.58895 56.5321 12.7071 57.7287 7.89533 46.1747 11.8451 45.5011 16.9802 TIMING: 2684400 CPU: 8088.59, 0.00309591/step Wall: 8088.59, 0.00309591/step, 1.99136 hours remaining, 208.542969 MB of memory in use. ENERGY: 2684400 730.6336 2031.9495 1955.4858 104.5087 -206130.8064 17706.9609 0.0000 0.0000 34123.5182 -149477.7497 298.0092 -183601.2679 -149379.5515 298.0805 115.6481 145.1765 557556.8065 11.6766 11.4882 PRESSURE: 2684600 -335.394 159.544 32.4103 159.545 -162.629 -69.5771 32.411 -69.5781 -339.74 GPRESSURE: 2684600 -268.595 132.838 23.1234 159.315 -200.885 -9.042 112.58 -3.02767 -286.69 PRESSAVG: 2684600 -46.1009 59.1315 -16.6713 59.1314 76.4546 -4.67904 -16.6713 -4.679 2.58922 GPRESSAVG: 2684600 -44.874 61.8779 -17.3675 60.4805 77.1447 -5.89991 -18.0418 -4.17688 0.517176 TIMING: 2684600 CPU: 8089.2, 0.00303411/step Wall: 8089.2, 0.00303411/step, 1.95144 hours remaining, 208.542969 MB of memory in use. ENERGY: 2684600 750.5270 2106.9444 1911.8066 112.2120 -205874.8726 17441.0904 0.0000 0.0000 33992.3681 -149559.9240 296.8638 -183552.2922 -149462.1120 298.1281 -279.2546 -252.0567 558804.2661 10.9810 10.9293 PRESSURE: 2684800 89.0277 -68.2411 -3.93899 -68.2407 -271.866 188.368 -3.93865 188.369 -71.023 GPRESSURE: 2684800 143.56 -32.1197 -75.0839 -59.7668 -231.325 114.199 61.0305 163.229 -65.3002 PRESSAVG: 2684800 46.9176 20.2252 99.0069 20.2252 36.5877 0.621872 99.0068 0.62188 -43.6422 GPRESSAVG: 2684800 45.4701 21.0769 101.176 17.8029 37.1074 0.880455 99.6677 -1.48869 -43.037 TIMING: 2684800 CPU: 8089.8, 0.00302183/step Wall: 8089.8, 0.00302183/step, 1.94337 hours remaining, 208.542969 MB of memory in use. ENERGY: 2684800 740.1093 2085.0673 1892.4913 103.3033 -206463.9441 17863.6667 0.0000 0.0000 34172.2936 -149607.0126 298.4351 -183779.3062 -149517.6934 298.7082 -84.6204 -51.0217 557032.7203 13.2877 13.1802 PRESSURE: 2685000 163.35 -49.5913 -107.753 -49.5917 -40.6266 124.892 -107.753 124.891 -165.99 GPRESSURE: 2685000 210.054 -9.42492 8.12187 15.0726 -18.9794 72.0953 -102.876 166.436 -130.358 PRESSAVG: 2685000 39.3721 -24.3513 13.0917 -24.3513 -30.7983 -36.0893 13.0916 -36.0894 9.20222 GPRESSAVG: 2685000 39.2969 -26.9209 12.2773 -22.8157 -30.2512 -37.2101 13.323 -34.0648 8.94144 TIMING: 2685000 CPU: 8090.41, 0.00301944/step Wall: 8090.41, 0.00301944/step, 1.94167 hours remaining, 208.542969 MB of memory in use. ENERGY: 2685000 772.8698 2120.0891 1891.1628 111.5690 -206372.3244 17794.5029 0.0000 0.0000 34330.3884 -149351.7425 299.8158 -183682.1310 -149257.6117 298.7974 -14.4222 20.2387 556026.9658 5.9253 5.9957 PRESSURE: 2685200 383.912 -71.0912 -53.422 -71.0913 214.159 -87.1282 -53.4224 -87.1275 409.209 GPRESSURE: 2685200 344.097 -45.2157 -117.467 -41.1291 325.755 -82.7974 -3.08366 -77.0298 443.544 PRESSAVG: 2685200 42.8882 53.4805 10.1838 53.4804 -5.70653 22.6782 10.1837 22.6783 -35.9475 GPRESSAVG: 2685200 42.5305 53.4673 7.68547 53.3458 -5.65562 25.1151 10.9826 20.3486 -35.9393 TIMING: 2685200 CPU: 8091, 0.00297599/step Wall: 8091, 0.00297599/step, 1.91356 hours remaining, 208.542969 MB of memory in use. ENERGY: 2685200 737.5142 2090.8400 1913.4293 120.4327 -206681.1989 18358.2098 0.0000 0.0000 34111.0562 -149349.7167 297.9003 -183460.7729 -149258.8835 298.6210 335.7600 371.1320 555944.3714 0.4114 0.3118 PRESSURE: 2685400 -49.5939 68.1768 109.621 68.1763 -126.19 51.23 109.621 51.2316 -109.67 GPRESSURE: 2685400 -68.9709 61.0675 130.546 15.4346 -39.7692 -25.4152 13.3843 126.241 -80.6012 PRESSAVG: 2685400 57.2246 -38.7835 -0.401934 -38.7835 -23.1244 20.6434 -0.401983 20.6434 -22.5329 GPRESSAVG: 2685400 57.4766 -40.4338 2.03049 -38.0092 -25.6431 19.9754 -0.284106 22.1947 -20.7151 TIMING: 2685400 CPU: 8091.6, 0.00296553/step Wall: 8091.6, 0.00296553/step, 1.90667 hours remaining, 208.542969 MB of memory in use. ENERGY: 2685400 765.9693 2110.2356 1910.0817 106.3096 -205925.1733 17702.6930 0.0000 0.0000 34036.8272 -149293.0569 297.2521 -183329.8841 -149195.2834 298.5151 -95.1512 -63.1138 558004.4921 3.8558 3.7061 PRESSURE: 2685600 -161.405 183.226 -81.0786 183.226 -174.08 -35.8559 -81.0786 -35.8575 74.2141 GPRESSURE: 2685600 -175.212 168.34 -117.074 169.114 -131.859 -53.2163 5.03175 -30.9341 143.49 PRESSAVG: 2685600 34.2764 29.3473 -4.83354 29.3473 -16.3313 -55.8427 -4.83342 -55.8427 -34.7543 GPRESSAVG: 2685600 34.0012 32.0349 -6.59953 27.0725 -15.0759 -55.679 -5.29243 -56.3445 -36.0181 TIMING: 2685600 CPU: 8092.2, 0.00299996/step Wall: 8092.2, 0.00299996/step, 1.92864 hours remaining, 208.804688 MB of memory in use. ENERGY: 2685600 739.8983 2036.5761 1920.2619 109.3761 -206136.6498 17714.2217 0.0000 0.0000 34158.0770 -149458.2389 298.3110 -183616.3159 -149360.2211 299.6184 -87.0902 -54.5273 557894.0997 -5.6031 -5.6976 PRESSURE: 2685800 -24.3781 -67.6639 -93.3832 -67.6631 29.7144 93.359 -93.3827 93.3579 -60.0714 GPRESSURE: 2685800 -3.16621 -119.489 -127.752 -63.6038 60.0159 57.3343 -101.106 156.435 -19.0467 PRESSAVG: 2685800 13.0913 -24.3414 35.4898 -24.3413 -12.9483 -11.0286 35.4898 -11.0287 -11.8915 GPRESSAVG: 2685800 12.1266 -24.4969 36.2706 -23.6826 -12.244 -9.86364 35.7834 -11.1052 -11.9631 TIMING: 2685800 CPU: 8092.79, 0.00297342/step Wall: 8092.79, 0.00297342/step, 1.91142 hours remaining, 208.804688 MB of memory in use. ENERGY: 2685800 717.0460 2131.9686 1943.5886 116.1934 -206072.6029 17738.9571 0.0000 0.0000 34103.5230 -149321.3263 297.8345 -183424.8493 -149228.8691 298.9385 -18.2450 12.6010 557309.0556 -3.9162 -4.0268 PRESSURE: 2686000 37.2394 25.3877 65.4057 25.3857 33.0545 58.4863 65.4057 58.4868 -319.842 GPRESSURE: 2686000 143.365 97.8861 101.489 -31.8218 27.5054 101.265 64.9201 82.6901 -327.319 PRESSAVG: 2686000 32.4426 30.7901 24.1148 30.79 -20.4046 19.274 24.1147 19.2739 -8.66926 GPRESSAVG: 2686000 32.6671 30.4172 25.2317 29.5007 -20.033 19.0482 23.3027 19.0766 -8.75425 TIMING: 2686000 CPU: 8093.39, 0.00298611/step Wall: 8093.39, 0.00298611/step, 1.91941 hours remaining, 208.804688 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: 2686000 752.8071 2090.0425 1937.9967 128.6544 -206165.8226 17735.1121 0.0000 0.0000 34248.3612 -149272.8487 299.0995 -183521.2098 -149174.3524 298.5798 -83.1827 -52.1495 557187.4808 1.1229 1.2933 PRESSURE: 2686200 -105.563 180.441 -97.609 180.44 -253.415 -119.555 -97.6086 -119.555 -34.9256 GPRESSURE: 2686200 -54.4473 190.926 -30.7145 232.995 -240.154 -105.061 -109.422 -103.06 2.11549 PRESSAVG: 2686200 35.3371 9.43964 6.66178 9.43967 13.7437 3.9778 6.66171 3.97771 -70.2684 GPRESSAVG: 2686200 34.2242 8.45148 3.91391 12.3028 14.7264 5.05781 7.0827 4.04334 -70.0379 TIMING: 2686200 CPU: 8093.98, 0.00296541/step Wall: 8093.98, 0.00296541/step, 1.90593 hours remaining, 208.804688 MB of memory in use. ENERGY: 2686200 754.5476 2121.5239 1936.9640 117.5685 -206430.3863 17694.6707 0.0000 0.0000 34406.1539 -149398.9577 300.4775 -183805.1116 -149296.6374 298.8021 -131.3014 -97.4953 557123.9498 -7.0625 -7.0291 PRESSURE: 2686400 16.7466 170.642 -121.987 170.642 58.1787 -43.9837 -121.988 -43.9832 -340.347 GPRESSURE: 2686400 -4.67556 219.537 -96.1961 98.6857 123.407 -74.4343 -58.5297 -52.2998 -286.299 PRESSAVG: 2686400 38.4207 -19.0679 -15.1761 -19.068 -22.9471 -13.6801 -15.1761 -13.6801 22.4828 GPRESSAVG: 2686400 38.9449 -18.152 -13.3489 -20.144 -23.3848 -17.0426 -14.2297 -10.709 21.979 TIMING: 2686400 CPU: 8094.57, 0.00295962/step Wall: 8094.57, 0.00295962/step, 1.90205 hours remaining, 208.804688 MB of memory in use. ENERGY: 2686400 737.1857 2066.5972 1924.5232 114.3143 -206183.9762 17544.5445 0.0000 0.0000 34448.7578 -149348.0535 300.8496 -183796.8113 -149252.8253 299.0658 -88.4741 -55.8561 556288.3877 12.6521 12.5131 PRESSURE: 2686600 14.2344 101.358 -69.329 101.359 135.502 8.15337 -69.3287 8.15382 53.8711 GPRESSURE: 2686600 96.9029 42.5599 -22.9011 157.128 128.962 39.3313 -177.715 40.7326 67.2295 PRESSAVG: 2686600 10.1534 13.5725 -21.4809 13.5725 12.7799 34.0799 -21.4809 34.0799 -49.191 GPRESSAVG: 2686600 10.8086 12.7803 -20.6364 15.2686 12.2093 35.6641 -22.0384 33.6474 -48.8982 TIMING: 2686600 CPU: 8095.16, 0.00295324/step Wall: 8095.16, 0.00295324/step, 1.89779 hours remaining, 208.804688 MB of memory in use. ENERGY: 2686600 769.0790 2083.2916 1964.7910 116.6159 -206787.6925 18050.0231 0.0000 0.0000 34405.7534 -149398.1385 300.4740 -183803.8919 -149303.1299 299.8810 67.8693 97.6980 555347.0205 -8.7526 -8.6268 PRESSURE: 2686800 64.3633 174.714 206.605 174.713 -203.111 131.627 206.605 131.626 -200.903 GPRESSURE: 2686800 78.7778 140.592 170.892 159.263 -132.656 104.922 188.747 76.1026 -188.598 PRESSAVG: 2686800 66.9585 23.8359 30.1921 23.8359 -13.8895 -46.1015 30.1922 -46.1016 -9.56369 GPRESSAVG: 2686800 66.5767 25.3143 29.5531 22.239 -13.2817 -48.1104 30.3794 -46.1579 -9.37508 TIMING: 2686800 CPU: 8095.76, 0.0029604/step Wall: 8095.76, 0.0029604/step, 1.90222 hours remaining, 208.804688 MB of memory in use. ENERGY: 2686800 768.6621 2128.9722 1921.5452 136.0329 -205945.3039 17646.8998 0.0000 0.0000 34007.1866 -149336.0051 296.9932 -183343.1917 -149238.9883 299.3927 -113.2169 -80.8253 556668.4923 14.5017 14.6400 PRESSURE: 2687000 316.852 -112.129 79.5292 -112.129 87.8985 40.79 79.5296 40.7911 411.646 GPRESSURE: 2687000 355.497 -122.311 33.0778 -101.314 157.603 65.8758 37.4393 29.3515 402.575 PRESSAVG: 2687000 8.27399 -21.7832 20.9104 -21.7832 7.09166 31.5675 20.9104 31.5676 3.83574 GPRESSAVG: 2687000 9.09527 -22.5708 20.5097 -23.1942 6.79535 31.7204 21.4832 32.1447 2.909 TIMING: 2687000 CPU: 8096.35, 0.00298271/step Wall: 8096.35, 0.00298271/step, 1.91639 hours remaining, 208.804688 MB of memory in use. ENERGY: 2687000 768.3930 2071.4629 1911.5693 111.8986 -206661.2564 18035.1794 0.0000 0.0000 34409.0719 -149353.6812 300.5030 -183762.7531 -149258.8078 298.4631 272.1320 305.2249 554087.1715 6.4005 6.2665 PRESSURE: 2687200 260.113 166.42 -72.3932 166.418 -10.3391 168.428 -72.3937 168.427 -58.1888 GPRESSURE: 2687200 293.264 239.613 -13.3181 137.838 60.0496 208.863 -85.8305 126.166 -65.6078 PRESSAVG: 2687200 -6.89117 -18.6334 5.69072 -18.6334 14.099 94.6586 5.69067 94.6587 -3.64774 GPRESSAVG: 2687200 -7.46861 -21.7912 4.49494 -15.8123 14.2385 96.4748 5.95055 91.1636 -3.38986 TIMING: 2687200 CPU: 8096.95, 0.00297579/step Wall: 8096.95, 0.00297579/step, 1.91178 hours remaining, 208.804688 MB of memory in use. ENERGY: 2687200 707.0895 2054.7881 1950.8464 115.4804 -206139.8692 17660.3716 0.0000 0.0000 34150.3103 -149500.9829 298.2432 -183651.2932 -149396.4160 298.5163 63.8618 95.9019 556324.8347 1.1867 1.1267 PRESSURE: 2687400 -173.205 172.924 16.305 172.924 -122.401 119.855 16.3042 119.856 -180.15 GPRESSURE: 2687400 -123.921 229.72 41.5977 171.74 -153.633 147.636 32.3662 136.4 -111.104 PRESSAVG: 2687400 72.2016 44.7438 12.8058 44.7439 4.83365 19.4113 12.8059 19.4113 -73.2486 GPRESSAVG: 2687400 71.5128 45.0146 14.5526 43.6075 4.90556 19.6885 11.1844 20.3233 -72.6406 TIMING: 2687400 CPU: 8097.55, 0.00299245/step Wall: 8097.55, 0.00299245/step, 1.92232 hours remaining, 208.804688 MB of memory in use. ENERGY: 2687400 751.0188 2067.1289 1943.7570 112.2823 -206301.6346 17741.3673 0.0000 0.0000 34120.9433 -149565.1370 297.9867 -183686.0803 -149473.4820 298.3684 -158.5850 -129.5528 557126.5820 1.2622 1.2592 PRESSURE: 2687600 -82.7469 -71.9158 -26.1129 -71.9161 -71.372 -116.28 -26.1142 -116.28 -2.08614 GPRESSURE: 2687600 -1.62099 -65.9269 13.0855 -58.4601 -67.0481 -110.668 -85.1073 -193.789 14.5703 PRESSAVG: 2687600 -2.33206 -28.6653 -11.1783 -28.6653 41.1503 -51.7967 -11.1783 -51.7967 -20.4955 GPRESSAVG: 2687600 -2.33077 -25.391 -12.7728 -30.0564 41.0651 -53.9892 -9.98977 -51.7597 -20.5663 TIMING: 2687600 CPU: 8098.14, 0.00296025/step Wall: 8098.14, 0.00296025/step, 1.90147 hours remaining, 208.804688 MB of memory in use. ENERGY: 2687600 748.7025 1984.1346 1932.4274 107.9339 -206157.4673 17752.0261 0.0000 0.0000 34151.0904 -149481.1524 298.2500 -183632.2428 -149391.6463 298.0687 -52.0683 -18.0329 557381.4014 6.1076 6.0560 PRESSURE: 2687800 129.628 1.44258 268.227 1.44095 151.722 101.015 268.227 101.014 23.3907 GPRESSURE: 2687800 137.1 -26.4342 175.555 51.4007 208.191 56.3995 312.876 91.3982 65.2989 PRESSAVG: 2687800 -47.8271 -14.096 9.29302 -14.096 36.9628 49.0186 9.293 49.0185 2.83309 GPRESSAVG: 2687800 -47.1984 -15.8471 10.112 -13.3949 35.1441 49.9801 9.39544 47.9684 3.52237 TIMING: 2687800 CPU: 8098.73, 0.00298203/step Wall: 8098.73, 0.00298203/step, 1.91529 hours remaining, 208.804688 MB of memory in use. ENERGY: 2687800 716.1587 2051.6049 1940.5492 104.0584 -206674.4033 17949.1864 0.0000 0.0000 34328.5904 -149584.2553 299.8001 -183912.8457 -149488.1551 298.4883 101.5803 136.8631 556192.5929 -2.6771 -2.8440 PRESSURE: 2688000 -98.5095 127.443 0.341009 127.443 36.4561 -6.00924 0.341012 -6.00865 -28.7001 GPRESSURE: 2688000 -112.709 107.02 19.5707 114.469 114.544 28.4974 -23.5633 -27.7862 8.40445 PRESSAVG: 2688000 -50.6784 -19.575 31.9325 -19.575 77.8579 34.3834 31.9325 34.3835 -37.3609 GPRESSAVG: 2688000 -50.2357 -20.7336 31.2568 -18.826 80.2756 34.2068 31.6135 35.0413 -40.0842 TIMING: 2688000 CPU: 8099.32, 0.00295376/step Wall: 8099.32, 0.00295376/step, 1.89697 hours remaining, 208.804688 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: 2688000 696.8447 2036.9831 1961.2159 113.9849 -206508.3899 17897.5098 0.0000 0.0000 34065.3036 -149736.5479 297.5008 -183801.8515 -149635.3957 298.2865 -30.2512 3.4129 557627.6176 -3.3938 -3.3481 PRESSURE: 2688200 -366.005 149.839 -14.7759 149.839 -177.606 -104.75 -14.7748 -104.751 101.073 GPRESSURE: 2688200 -295.509 111.145 21.1491 95.3462 -147.642 -97.2501 -6.4414 -107.642 100.697 PRESSAVG: 2688200 -49.8465 -30.1789 5.20467 -30.1789 -6.7672 -15.2118 5.20462 -15.2119 49.2501 GPRESSAVG: 2688200 -49.8001 -30.9165 6.77825 -30.4749 -7.84154 -16.4202 6.03116 -16.8321 50.348 TIMING: 2688200 CPU: 8099.92, 0.00296938/step Wall: 8099.92, 0.00296938/step, 1.90684 hours remaining, 208.804688 MB of memory in use. ENERGY: 2688200 749.3369 2015.6392 1928.7682 102.9813 -205975.0794 17500.8930 0.0000 0.0000 33881.9353 -149795.5256 295.8994 -183677.4608 -149704.6680 297.7508 -147.5125 -114.1512 557423.1625 -2.4546 -2.4312 LDB: ============= START OF LOAD BALANCING ============== 8103.43 LDB: ============== END OF LOAD BALANCING =============== 8103.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8103.43 LDB: ============= START OF LOAD BALANCING ============== 8103.73 LDB: Largest compute 4772 load 0.028732 is 24.3% of average load 0.118042 LDB: Average compute 0.001741 is 1.5% of average load 0.118042 LDB: TIME 8103.73 LOAD: AVG 0.118042 MAX 0.20668 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.594 MB LDB: TIME 8103.73 LOAD: AVG 0.118042 MAX 0.20668 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.594 MB LDB: TIME 8103.73 LOAD: AVG 0.118042 MAX 0.20668 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.594 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8103.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8103.74 PRESSURE: 2688400 -218.566 -177.228 3.69003 -177.228 -127.358 -61.7191 3.68991 -61.7201 -22.8757 GPRESSURE: 2688400 -174.976 -269.138 12.5926 -120.547 -113.711 -2.21184 72.2963 -164.071 8.16753 PRESSAVG: 2688400 -27.812 1.38282 30.1594 1.38287 -47.0134 -27.8244 30.1593 -27.8246 81.8276 GPRESSAVG: 2688400 -27.0381 4.45756 32.372 0.404524 -46.9483 -28.1724 29.0413 -26.9834 81.0413 TIMING: 2688400 CPU: 8100.52, 0.00303/step Wall: 8100.52, 0.00303/step, 1.9456 hours remaining, 209.199219 MB of memory in use. ENERGY: 2688400 753.2116 2099.5962 1935.3415 110.8501 -206478.0896 17778.9658 0.0000 0.0000 33972.7449 -149827.3795 296.6924 -183800.1244 -149730.1860 297.3629 -122.9332 -93.5065 558556.1577 2.3341 2.3516 PRESSURE: 2688600 -127.648 252.725 101.863 252.724 262.269 -109.93 101.864 -109.93 -87.1617 GPRESSURE: 2688600 -155.888 219.254 18.611 232.673 329.918 -49.3667 138.322 -83.6526 -38.0346 PRESSAVG: 2688600 -41.7555 15.1128 44.3513 15.1128 14.1567 24.9234 44.3512 24.9234 23.0763 GPRESSAVG: 2688600 -43.1346 14.178 41.9923 14.9399 14.5614 27.0985 44.0923 24.6772 23.7186 TIMING: 2688600 CPU: 8101.12, 0.00296306/step Wall: 8101.12, 0.00296306/step, 1.90245 hours remaining, 209.199219 MB of memory in use. ENERGY: 2688600 687.6642 2090.6358 1944.1451 104.6368 -206704.8766 17977.3303 0.0000 0.0000 34192.2981 -149708.1662 298.6098 -183900.4644 -149613.4140 297.5767 15.8198 45.3317 557490.5418 -1.5075 -1.6182 PRESSURE: 2688800 137.61 153.902 177.975 153.9 -143.386 -45.2021 177.974 -45.203 -218.991 GPRESSURE: 2688800 152.056 258.264 173.08 193.533 -116.141 -114.653 139.034 -34.1611 -157.026 PRESSAVG: 2688800 -2.5437 48.5815 29.015 48.5814 51.9612 5.53525 29.015 5.53524 -111.307 GPRESSAVG: 2688800 -1.14331 49.384 30.1703 49.7768 51.5052 3.02525 28.5837 6.54592 -112.662 TIMING: 2688800 CPU: 8101.72, 0.00299509/step Wall: 8101.72, 0.00299509/step, 1.92285 hours remaining, 209.199219 MB of memory in use. ENERGY: 2688800 793.1328 2073.1883 1960.0300 105.9989 -206597.4191 17882.6753 0.0000 0.0000 34084.4341 -149697.9597 297.6678 -183782.3938 -149609.4486 297.4013 -74.9222 -40.3705 557632.1604 -20.6298 -20.7668 PRESSURE: 2689000 -131.819 -56.4032 221.972 -56.4041 55.6705 101.661 221.972 101.661 143.528 GPRESSURE: 2689000 -83.6494 -130.182 166.529 -46.4185 76.2957 70.6908 259.374 85.8676 164.926 PRESSAVG: 2689000 37.1473 22.4434 81.469 22.4433 -35.99 -6.82461 81.469 -6.82465 -9.81111 GPRESSAVG: 2689000 34.7884 23.0833 80.5529 21.5599 -34.6091 -5.18221 82.4683 -8.85747 -8.81382 TIMING: 2689000 CPU: 8102.31, 0.00298353/step Wall: 8102.31, 0.00298353/step, 1.91526 hours remaining, 209.199219 MB of memory in use. ENERGY: 2689000 737.9303 2056.6187 1946.1888 104.7095 -206968.9499 18111.0410 0.0000 0.0000 34300.4179 -149712.0437 299.5541 -184012.4617 -149616.2693 298.4907 22.4600 52.5239 557009.7045 -2.8846 -2.8782 PRESSURE: 2689200 13.8387 53.5793 43.5909 53.58 145 26.4929 43.5918 26.4936 -11.8502 GPRESSURE: 2689200 -3.98942 10.9749 33.1258 91.1125 145.902 91.2714 33.4647 -7.30913 102.924 PRESSAVG: 2689200 -52.6694 -14.712 15.7077 -14.7118 43.2314 32.4056 15.7077 32.4055 -34.2795 GPRESSAVG: 2689200 -53.3217 -16.454 15.567 -15.5783 42.7377 32.562 16.4557 34.4966 -33.2701 TIMING: 2689200 CPU: 8102.91, 0.00299571/step Wall: 8102.91, 0.00299571/step, 1.92291 hours remaining, 209.199219 MB of memory in use. ENERGY: 2689200 762.3920 2079.6577 1939.8613 120.5678 -206971.4043 17971.8270 0.0000 0.0000 34294.2918 -149802.8068 299.5006 -184097.0985 -149701.2794 298.1845 48.9963 81.6120 555642.1790 -14.5725 -14.6180 PRESSURE: 2689400 -65.0692 -22.1955 119.209 -22.1948 81.4268 98.4647 119.209 98.4656 90.2229 GPRESSURE: 2689400 -79.8376 -27.8037 134.111 -6.96075 224.291 93.1906 121.418 -20.1842 65.5779 PRESSAVG: 2689400 -40.1766 -37.8299 27.0995 -37.8299 22.9015 3.13396 27.0994 3.13387 -22.316 GPRESSAVG: 2689400 -39.3649 -36.6045 29.4742 -39.0737 22.3754 1.88305 25.6798 3.28583 -22.5379 TIMING: 2689400 CPU: 8103.51, 0.00298894/step Wall: 8103.51, 0.00298894/step, 1.9184 hours remaining, 209.199219 MB of memory in use. ENERGY: 2689400 771.1052 2080.6537 1909.0017 120.2478 -206794.0421 17943.5445 0.0000 0.0000 34010.3123 -149959.1769 297.0205 -183969.4892 -149868.4272 296.9661 35.5268 70.0105 556091.3799 -13.1970 -13.1758 PRESSURE: 2689600 -185.844 -78.3285 115.117 -78.328 -104.774 17.8708 115.118 17.8697 -140.034 GPRESSURE: 2689600 -128.324 -49.6837 140.829 -29.662 -50.4837 97.0519 72.3351 -55.75 -147.099 PRESSAVG: 2689600 -6.76572 18.6073 2.95871 18.6073 69.4815 32.6251 2.95862 32.6251 4.55248 GPRESSAVG: 2689600 -6.20637 18.2735 -0.0589105 19.4561 69.7679 31.3213 4.77323 31.4037 3.52725 TIMING: 2689600 CPU: 8104.1, 0.00296263/step Wall: 8104.1, 0.00296263/step, 1.90135 hours remaining, 209.199219 MB of memory in use. ENERGY: 2689600 775.4877 2087.2787 1946.3773 115.4617 -206716.8045 17696.6118 0.0000 0.0000 33921.9817 -150173.6056 296.2491 -184095.5873 -150077.4388 297.4868 -143.5506 -108.6355 554787.9639 22.4227 22.3629 PRESSURE: 2689800 -197.679 59.5207 45.9086 59.521 117.156 -263.837 45.9088 -263.835 -42.0712 GPRESSURE: 2689800 -156.621 56.2309 -13.1187 11.3412 139.818 -319.334 18.9337 -268.779 -4.64209 PRESSAVG: 2689800 9.61174 55.5576 7.46139 55.5576 5.04532 14.9296 7.46147 14.9295 -32.894 GPRESSAVG: 2689800 9.7227 56.362 8.05461 56.8744 4.10379 15.9025 7.63151 15.4501 -31.9767 TIMING: 2689800 CPU: 8104.7, 0.00297976/step Wall: 8104.7, 0.00297976/step, 1.91218 hours remaining, 209.199219 MB of memory in use. ENERGY: 2689800 738.4860 2062.3087 1960.1422 106.3709 -206418.0654 17751.8544 0.0000 0.0000 33826.1143 -149972.7890 295.4119 -183798.9033 -149882.8918 296.7540 -40.8648 -7.1482 556758.1763 -6.0790 -6.0501 PRESSURE: 2690000 -7.01406 43.932 -14.962 43.9327 112.349 -96.8516 -14.9626 -96.8533 -218.27 GPRESSURE: 2690000 -53.2159 -18.2877 -73.7822 72.0008 176.078 -65.5837 -47.7999 -78.0594 -138.29 PRESSAVG: 2690000 24.8168 -22.9621 -13.355 -22.9621 -14.6619 -54.8024 -13.355 -54.8025 -14.4627 GPRESSAVG: 2690000 24.0681 -22.8468 -13.0287 -23.4782 -13.3371 -54.1398 -14.6875 -55.8034 -15.0739 TIMING: 2690000 CPU: 8105.3, 0.00300188/step Wall: 8105.3, 0.00300188/step, 1.9262 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: 2690000 732.0908 2068.3695 1930.7580 109.4081 -206286.1722 17623.3047 0.0000 0.0000 33909.1372 -149913.1039 296.1369 -183822.2411 -149821.3821 297.3030 -37.6449 -5.1425 556442.0988 -1.4359 -1.4476 PRESSURE: 2690200 66.906 -46.0318 -186.245 -46.0316 131.816 73.2113 -186.245 73.2122 -27.7569 GPRESSURE: 2690200 97.7524 -39.1471 -262.894 -112.133 140.134 15.241 -152.092 64.9109 19.7631 PRESSAVG: 2690200 42.8382 8.43695 -5.35179 8.43688 -35.6321 -11.7591 -5.35184 -11.7589 12.2703 GPRESSAVG: 2690200 43.7555 9.69014 -4.91986 7.87992 -36.2393 -12.4021 -4.92665 -9.03662 11.9614 TIMING: 2690200 CPU: 8105.89, 0.00296648/step Wall: 8105.89, 0.00296648/step, 1.90332 hours remaining, 209.199219 MB of memory in use. ENERGY: 2690200 723.6703 2062.5555 1942.8947 115.5550 -206646.6222 17820.7525 0.0000 0.0000 34036.2302 -149944.9640 297.2469 -183981.1942 -149846.5970 297.7529 56.9885 85.8831 554903.1219 6.4921 6.4925 PRESSURE: 2690400 134.005 -38.9673 -63.6364 -38.9664 -382.355 -33.2058 -63.6371 -33.2056 -153.881 GPRESSURE: 2690400 183.615 -32.3818 -61.6737 -100.956 -334.11 -17.7878 51.5266 44.1354 -157.36 PRESSAVG: 2690400 -48.0526 -50.2429 6.39443 -50.243 10.4118 41.2879 6.39442 41.288 20.6733 GPRESSAVG: 2690400 -49.4745 -50.2989 3.44153 -50.6831 11.8744 41.3702 9.63984 40.7426 20.8874 TIMING: 2690400 CPU: 8106.49, 0.00296745/step Wall: 8106.49, 0.00296745/step, 1.90378 hours remaining, 209.199219 MB of memory in use. ENERGY: 2690400 743.8819 2144.3504 1953.2430 116.0504 -206650.0821 17834.7294 0.0000 0.0000 34000.9894 -149856.8376 296.9391 -183857.8270 -149760.0549 297.0882 -134.0771 -102.6183 557360.9340 -5.6558 -5.5709 PRESSURE: 2690600 24.5691 -11.8326 -18.3849 -11.8326 17.3423 28.79 -18.3853 28.7916 8.63921 GPRESSURE: 2690600 65.6204 -64.984 -83.2898 122.243 60.4754 52.0781 -96.2913 22.6352 25.1801 PRESSAVG: 2690600 22.3568 69.2031 39.6821 69.2032 29.8531 -3.55779 39.682 -3.55787 -67.15 GPRESSAVG: 2690600 24.594 68.1461 41.7442 69.5586 28.5094 -1.62371 38.4686 -7.52501 -67.9369 TIMING: 2690600 CPU: 8107.08, 0.00297538/step Wall: 8107.08, 0.00297538/step, 1.90871 hours remaining, 209.199219 MB of memory in use. ENERGY: 2690600 680.1780 2077.9930 1917.0044 96.3423 -206557.1608 17782.0231 0.0000 0.0000 33985.1763 -150018.4437 296.8010 -184003.6200 -149906.8963 296.7720 16.8502 50.4253 556484.0954 -4.9800 -4.9445 PRESSURE: 2690800 -42.4786 105.903 -19.0656 105.903 42.5327 -94.5319 -19.0642 -94.5306 365.286 GPRESSURE: 2690800 34.4223 42.809 -30.3114 169.199 59.3098 -114.781 21.9222 -131.162 363.358 PRESSAVG: 2690800 34.6401 57.4899 -10.8579 57.4899 3.60034 -1.56572 -10.8578 -1.56566 -13.735 GPRESSAVG: 2690800 34.1141 56.623 -12.2132 57.7087 2.66195 -4.85624 -12.438 2.00021 -12.0954 TIMING: 2690800 CPU: 8107.68, 0.00299454/step Wall: 8107.68, 0.00299454/step, 1.92083 hours remaining, 209.199219 MB of memory in use. ENERGY: 2690800 711.1779 2068.6342 1916.8590 118.1416 -206882.6306 17918.9828 0.0000 0.0000 34186.7259 -149962.1091 298.5612 -184148.8350 -149860.9718 297.1927 121.7799 152.3634 554407.9919 8.1685 8.2269 PRESSURE: 2691000 130.643 7.86594 -40.753 7.86528 -30.2909 -60.4171 -40.7542 -60.4174 -120.878 GPRESSURE: 2691000 184.21 33.7618 -43.2393 -31.3111 -11.5361 -117.654 8.51085 -80.8463 -90.8358 PRESSAVG: 2691000 -5.39698 -23.7776 0.850459 -23.7776 -22.4228 -61.446 0.85044 -61.4459 -0.889781 GPRESSAVG: 2691000 -6.15214 -20.8029 2.38031 -23.9533 -20.9996 -58.604 1.66119 -63.1178 -1.14511 TIMING: 2691000 CPU: 8108.28, 0.00297958/step Wall: 8108.28, 0.00297958/step, 1.91107 hours remaining, 209.199219 MB of memory in use. ENERGY: 2691000 796.2921 2042.3113 1952.9155 109.0682 -206942.9129 18210.1608 0.0000 0.0000 34164.4149 -149667.7500 298.3663 -183832.1649 -149580.7835 298.4706 -6.8423 27.2794 557612.6734 -9.5698 -9.4323 PRESSURE: 2691200 -11.3123 -5.88758 -70.5312 -5.88841 -162.982 40.8787 -70.5301 40.8783 -160.284 GPRESSURE: 2691200 38.9237 12.5623 -77.6415 7.87586 -126.782 -24.9527 -41.0409 39.1678 -154.029 PRESSAVG: 2691200 -13.755 3.48977 31.2126 3.48974 -40.4672 -50.4161 31.2126 -50.4162 22.1828 GPRESSAVG: 2691200 -13.1781 1.05382 31.0448 5.62413 -39.0584 -50.6178 30.3445 -49.8607 19.87 TIMING: 2691200 CPU: 8108.87, 0.0029805/step Wall: 8108.87, 0.0029805/step, 1.91149 hours remaining, 209.199219 MB of memory in use. ENERGY: 2691200 745.6601 2016.4308 1945.1340 114.0108 -206514.6743 17828.3696 0.0000 0.0000 34320.2300 -149544.8389 299.7271 -183865.0689 -149444.3572 298.1080 -111.5263 -80.6291 557577.8315 -10.6798 -10.7888 PRESSURE: 2691400 86.5787 19.1265 21.8687 19.1267 -97.3741 -130.071 21.8684 -130.071 -183.642 GPRESSURE: 2691400 101.591 10.9475 124.673 -13.7378 -49.6149 -220.201 -75.6016 -107.749 -153.947 PRESSAVG: 2691400 18.1623 17.0494 42.2742 17.0495 -7.67965 -63.6176 42.2743 -63.6176 -14.838 GPRESSAVG: 2691400 16.7026 19.8285 41.778 14.2729 -8.4772 -65.8203 41.9611 -62.3985 -12.7765 TIMING: 2691400 CPU: 8109.47, 0.00297004/step Wall: 8109.47, 0.00297004/step, 1.90462 hours remaining, 209.199219 MB of memory in use. ENERGY: 2691400 708.0396 2104.1658 1929.0446 107.3062 -206434.9267 17863.6629 0.0000 0.0000 34180.7270 -149541.9807 298.5088 -183722.7077 -149439.4115 298.6435 -64.8125 -33.9901 557995.6843 -1.4518 -1.5170 PRESSURE: 2691600 -485.196 51.031 108.083 51.0302 -108.556 -41.7718 108.082 -41.7717 -247.126 GPRESSURE: 2691600 -463.917 98.4205 61.8994 92.8124 -101.945 9.84119 199.141 -15.8398 -174.867 PRESSAVG: 2691600 -3.73924 5.01082 61.9699 5.01079 -27.2771 -13.073 61.9699 -13.073 1.57411 GPRESSAVG: 2691600 -2.42665 3.3027 61.1723 6.68125 -26.8867 -12.8625 62.4905 -12.3502 -0.0667429 TIMING: 2691600 CPU: 8110.06, 0.00297759/step Wall: 8110.06, 0.00297759/step, 1.9093 hours remaining, 209.199219 MB of memory in use. ENERGY: 2691600 727.2207 2031.5573 1922.8160 104.8401 -205885.3912 17546.0897 0.0000 0.0000 34062.6526 -149490.2148 297.4776 -183552.8674 -149398.8495 298.8110 -280.2926 -246.9096 558216.3736 -9.8141 -9.7934 PRESSURE: 2691800 -147.419 -108.016 16.7097 -108.016 93.0178 -183.969 16.7098 -183.971 120.169 GPRESSURE: 2691800 -111.703 -155.633 83.0519 -60.1266 105.858 -85.4014 -69.0248 -194.959 176.944 PRESSAVG: 2691800 20.6841 -22.9916 64.7341 -22.9917 -11.1025 -3.16218 64.7341 -3.16229 0.393646 GPRESSAVG: 2691800 20.7829 -23.8216 64.4396 -23.7338 -11.4127 -0.796441 64.6561 -5.97642 0.464565 TIMING: 2691800 CPU: 8110.65, 0.00295078/step Wall: 8110.65, 0.00295078/step, 1.89194 hours remaining, 209.199219 MB of memory in use. ENERGY: 2691800 730.2983 2035.5021 1918.8128 111.4773 -206058.6849 17722.2792 0.0000 0.0000 34104.7108 -149435.6045 297.8449 -183540.3153 -149346.9355 298.5897 21.9228 57.0333 557019.5695 3.3251 3.2782 PRESSURE: 2692000 70.5527 -223.165 -67.2733 -223.166 -115.855 54.3585 -67.2741 54.359 -16.4094 GPRESSURE: 2692000 111.083 -284.531 -89.275 -283.066 -51.5201 59.2522 -31.0923 27.0485 -5.71504 PRESSAVG: 2692000 15.5768 -6.53276 49.6192 -6.53275 2.15702 -23.5895 49.6191 -23.5895 2.78597 GPRESSAVG: 2692000 14.3028 -6.34092 49.9529 -4.92114 2.9731 -24.116 49.1079 -23.4094 2.63708 TIMING: 2692000 CPU: 8111.24, 0.00294968/step Wall: 8111.24, 0.00294968/step, 1.89107 hours remaining, 209.402344 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: 2692000 708.1686 2055.6168 1930.5398 113.0131 -206420.4347 17729.2917 0.0000 0.0000 34105.3462 -149778.4585 297.8505 -183883.8046 -149686.9257 298.7909 -20.5707 17.9494 556240.9390 6.8399 6.6377 PRESSURE: 2692200 79.8132 -109.379 -106.097 -109.378 206.061 104.119 -106.097 104.12 179.312 GPRESSURE: 2692200 112.688 -62.4767 -51.114 -96.9119 252.046 215.373 -45.418 -5.59396 195.146 PRESSAVG: 2692200 31.0737 -48.3436 14.3502 -48.3437 -67.3532 -41.4484 14.3504 -41.4483 36.0389 GPRESSAVG: 2692200 31.7528 -46.7443 15.1576 -49.9356 -67.3492 -41.9601 12.2979 -41.6085 35.4334 TIMING: 2692200 CPU: 8111.84, 0.00298223/step Wall: 8111.84, 0.00298223/step, 1.91178 hours remaining, 209.402344 MB of memory in use. ENERGY: 2692200 753.7454 2082.9851 1934.7387 123.7552 -206734.2908 18141.8235 0.0000 0.0000 34087.1848 -149610.0581 297.6919 -183697.2429 -149512.8702 297.6693 155.0620 186.6266 556473.2560 -0.0802 -0.0543 LDB: ============= START OF LOAD BALANCING ============== 8115.35 LDB: ============== END OF LOAD BALANCING =============== 8115.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8115.36 LDB: ============= START OF LOAD BALANCING ============== 8115.65 LDB: Largest compute 4772 load 0.027302 is 23.1% of average load 0.118115 LDB: Average compute 0.001733 is 1.5% of average load 0.118115 LDB: TIME 8115.66 LOAD: AVG 0.118115 MAX 0.206676 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 212.102 MB LDB: TIME 8115.66 LOAD: AVG 0.118115 MAX 0.206676 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 212.172 MB LDB: TIME 8115.66 LOAD: AVG 0.118115 MAX 0.206676 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 212.172 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8115.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8115.66 PRESSURE: 2692400 -36.9338 -187.643 4.74063 -187.643 -171.461 -46.8734 4.73988 -46.8744 -44.0518 GPRESSURE: 2692400 -52.5117 -181.033 55.7087 -137.442 -103.861 31.025 -73.8715 -182.048 -3.84944 PRESSAVG: 2692400 12.6995 -54.5636 2.64379 -54.5636 27.2199 2.47262 2.6438 2.47262 -17.5718 GPRESSAVG: 2692400 12.5102 -54.1903 2.81622 -55.2588 26.5546 2.02772 3.84344 2.56035 -17.2046 TIMING: 2692400 CPU: 8112.45, 0.00304305/step Wall: 8112.45, 0.00304305/step, 1.95059 hours remaining, 209.679688 MB of memory in use. ENERGY: 2692400 754.3182 2087.8664 1934.5139 108.6959 -206468.3675 17786.3731 0.0000 0.0000 34366.7680 -149429.8320 300.1335 -183796.6000 -149335.6279 299.1387 -84.1489 -53.4072 557255.5025 7.4492 7.2867 PRESSURE: 2692600 -83.3761 -23.2742 -248.615 -23.2738 6.81574 102.196 -248.615 102.196 -174.412 GPRESSURE: 2692600 -56.5979 -2.70209 -268.088 9.61276 -14.0071 21.8529 -221.035 155.924 -94.4274 PRESSAVG: 2692600 30.9416 12.338 -28.4865 12.3379 44.6784 22.9672 -28.4865 22.9671 -70.281 GPRESSAVG: 2692600 31.5839 11.5613 -29.1523 13.0292 44.1646 23.9833 -25.8263 26.2017 -70.0518 TIMING: 2692600 CPU: 8113.05, 0.00300088/step Wall: 8113.05, 0.00300088/step, 1.9234 hours remaining, 209.679688 MB of memory in use. ENERGY: 2692600 745.9104 2066.0121 1920.8628 101.9940 -206345.6378 17843.6428 0.0000 0.0000 34017.0865 -149650.1292 297.0797 -183667.2157 -149551.2473 298.3934 -83.6575 -55.0108 558549.4332 1.7797 1.8989 PRESSURE: 2692800 -144.207 -61.7787 55.4785 -61.7788 -221.581 21.9764 55.4768 21.9767 -217.579 GPRESSURE: 2692800 -146.673 -80.4087 89.7111 -49.1249 -112.579 42.68 117.1 82.9214 -223.484 PRESSAVG: 2692800 -11.6002 29.338 -4.27666 29.338 55.3725 -13.0441 -4.27662 -13.0441 -53.764 GPRESSAVG: 2692800 -12.1617 29.4272 -4.70126 27.9725 56.1405 -13.1115 -4.87001 -15.8011 -54.564 TIMING: 2692800 CPU: 8113.65, 0.00301146/step Wall: 8113.65, 0.00301146/step, 1.93001 hours remaining, 209.679688 MB of memory in use. ENERGY: 2692800 734.0778 2072.8725 1916.0624 115.5323 -206493.3352 17725.3291 0.0000 0.0000 34198.4931 -149730.9679 298.6639 -183929.4610 -149634.6106 297.6430 -194.4556 -160.9117 558479.6277 -3.3306 -3.5284 PRESSURE: 2693000 -197.572 -60.9004 -138.517 -60.9001 234.906 -181.561 -138.517 -181.561 -399.283 GPRESSURE: 2693000 -200.502 -11.6272 -80.0394 -48.2064 261.69 -102.155 -115.302 -267.503 -339.995 PRESSAVG: 2693000 -24.3193 -10.3958 -68.5147 -10.3958 44.9275 -49.3241 -68.5147 -49.3241 -47.2458 GPRESSAVG: 2693000 -24.8406 -9.34764 -67.979 -9.06191 44.1849 -47.7721 -69.856 -51.5996 -45.858 TIMING: 2693000 CPU: 8114.25, 0.00300429/step Wall: 8114.25, 0.00300429/step, 1.92525 hours remaining, 209.914062 MB of memory in use. ENERGY: 2693000 765.0066 2051.1843 1892.3652 103.7190 -206300.7838 17831.6334 0.0000 0.0000 34113.9278 -149542.9476 297.9254 -183656.8754 -149444.7562 297.7019 -120.6495 -92.9359 559879.8521 -8.8792 -8.8379 PRESSURE: 2693200 96.89 -164.52 -51.3737 -164.52 80.9949 -39.0124 -51.3737 -39.0139 -175.66 GPRESSURE: 2693200 68.0716 -153.649 -59.0038 -175.279 159.107 -166.731 -104.165 37.7276 -135.244 PRESSAVG: 2693200 2.27079 -11.8567 -48.3876 -11.8567 4.99107 -6.20905 -48.3876 -6.20914 2.13936 GPRESSAVG: 2693200 2.3358 -12.1094 -47.4097 -12.7177 6.1356 -7.68141 -47.9751 -4.63067 0.996879 TIMING: 2693200 CPU: 8114.86, 0.00303279/step Wall: 8114.86, 0.00303279/step, 1.94334 hours remaining, 209.914062 MB of memory in use. ENERGY: 2693200 756.8211 2022.7927 1940.4186 100.8715 -206410.9517 17913.4541 0.0000 0.0000 34214.0470 -149462.5467 298.7998 -183676.5937 -149371.1500 297.9875 0.7416 30.6449 558391.9082 3.1337 3.1561 PRESSURE: 2693400 343.279 -105.246 -4.20551 -105.248 -65.9234 -43.9611 -4.20671 -43.9631 -189.992 GPRESSURE: 2693400 340.774 -151.979 -123.189 -26.1795 14.5292 -110.2 -51.8225 64.928 -162.475 PRESSAVG: 2693400 -13.51 -67.957 -32.2208 -67.9569 52.5438 -38.2825 -32.2209 -38.2824 -58.5058 GPRESSAVG: 2693400 -13.5242 -71.0207 -33.7589 -65.3551 52.8757 -39.5818 -32.7424 -36.9618 -58.5042 TIMING: 2693400 CPU: 8115.46, 0.00300006/step Wall: 8115.46, 0.00300006/step, 1.9222 hours remaining, 209.914062 MB of memory in use. ENERGY: 2693400 695.4136 2091.6219 1933.5262 118.2323 -206547.2650 17872.8733 0.0000 0.0000 34257.3358 -149578.2618 299.1778 -183835.5976 -149475.3643 298.8869 29.1212 64.2761 558818.7297 -6.4907 -6.3842 PRESSURE: 2693600 34.8588 -11.4137 -147.232 -11.4133 -142.368 -227.901 -147.234 -227.899 -40.2657 GPRESSURE: 2693600 60.9052 3.2456 -150.151 -16.6838 -111.322 -224.158 -66.2969 -170.166 -1.68095 PRESSAVG: 2693600 52.6847 -38.1565 76.3392 -38.1564 8.22603 -21.3485 76.3392 -21.3485 -117.153 GPRESSAVG: 2693600 52.5602 -36.7295 77.754 -38.9734 8.10396 -21.1555 76.652 -19.922 -117.306 TIMING: 2693600 CPU: 8116.05, 0.00297135/step Wall: 8116.05, 0.00297135/step, 1.90364 hours remaining, 209.914062 MB of memory in use. ENERGY: 2693600 754.6982 2080.5677 1931.9807 106.4638 -206054.5835 17755.1636 0.0000 0.0000 34030.0928 -149395.6167 297.1933 -183425.7095 -149296.3673 297.8213 -49.2584 -17.3660 559034.1672 -18.7473 -18.8807 PRESSURE: 2693800 271.311 54.211 -76.8297 54.2098 139.447 251.623 -76.8301 251.622 18.8883 GPRESSURE: 2693800 234.199 172.738 -42.2092 -15.2576 202.824 294.965 -148.061 177.633 81.5933 PRESSAVG: 2693800 52.2775 -15.4234 -8.9849 -15.4235 36.3098 10.2432 -8.98493 10.2432 -65.366 GPRESSAVG: 2693800 53.1738 -15.879 -12.3165 -16.8485 34.4765 10.7501 -8.66057 9.54473 -65.4745 TIMING: 2693800 CPU: 8116.65, 0.00299488/step Wall: 8116.65, 0.00299488/step, 1.91856 hours remaining, 210.117188 MB of memory in use. ENERGY: 2693800 792.9061 1989.3841 1933.1841 113.4543 -206646.3971 18240.2348 0.0000 0.0000 34131.8208 -149445.4130 298.0817 -183577.2338 -149343.5817 298.5956 143.2156 172.8723 556864.7646 7.7405 7.3919 PRESSURE: 2694000 -109.449 153.115 -91.0198 153.115 -124.749 -74.1957 -91.0202 -74.1933 80.5541 GPRESSURE: 2694000 -57.2634 125.732 -84.5659 135.393 -61.9756 -167.225 -69.7486 -29.6154 58.6775 PRESSAVG: 2694000 2.71477 52.9283 21.6218 52.9283 28.1177 68.8539 21.6218 68.8539 18.061 GPRESSAVG: 2694000 2.2176 52.4311 23.5227 53.5651 29.3434 69.0509 20.8625 69.7936 16.9886 TIMING: 2694000 CPU: 8117.25, 0.00299285/step Wall: 8117.25, 0.00299285/step, 1.91708 hours remaining, 210.117188 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: 2694000 743.6768 2102.9307 1944.7002 118.4549 -206299.5270 17709.9578 0.0000 0.0000 34426.4046 -149253.4019 300.6544 -183679.8065 -149158.5519 299.1940 -51.2146 -20.1872 556867.5956 16.2978 16.1832 PRESSURE: 2694200 -331.696 40.5794 43.9149 40.5793 -203.566 104.305 43.9138 104.303 -179.437 GPRESSURE: 2694200 -278.509 34.8881 47.6388 57.7913 -200.373 94.6776 52.1925 32.4549 -145.375 PRESSAVG: 2694200 88.5624 -24.9009 6.65029 -24.9009 -36.8619 -8.31807 6.65029 -8.31803 -50.507 GPRESSAVG: 2694200 87.9245 -23.9871 8.04723 -24.774 -37.528 -5.91436 6.24206 -10.5591 -49.4218 TIMING: 2694200 CPU: 8117.85, 0.00301487/step Wall: 8117.85, 0.00301487/step, 1.93102 hours remaining, 210.117188 MB of memory in use. ENERGY: 2694200 760.4632 2087.7841 1926.5205 114.5075 -205879.2326 17475.8579 0.0000 0.0000 34296.9124 -149217.1868 299.5235 -183514.0993 -149114.2086 298.6999 -238.2331 -208.0858 559939.6530 0.3978 0.3249 PRESSURE: 2694400 -132.112 -55.3331 49.9733 -55.3341 -209.549 90.439 49.9736 90.4387 -48.7008 GPRESSURE: 2694400 -116.931 -28.4506 54.5454 -68.1294 -172.485 30.0542 95.8138 18.4723 -1.70735 PRESSAVG: 2694400 47.0226 -8.31054 52.2813 -8.31059 16.4418 13.168 52.2813 13.1682 -45.6727 GPRESSAVG: 2694400 47.1129 -9.64798 51.8986 -7.28197 16.3882 12.9687 51.144 12.6615 -46.1227 TIMING: 2694400 CPU: 8118.46, 0.00304034/step Wall: 8118.46, 0.00304034/step, 1.94717 hours remaining, 210.117188 MB of memory in use. ENERGY: 2694400 746.5152 2128.4748 1957.9343 114.1566 -205905.7067 17545.9763 0.0000 0.0000 34163.3510 -149249.2986 298.3570 -183412.6495 -149151.5633 299.4136 -130.1208 -97.0412 558704.7720 5.9306 5.7928 PRESSURE: 2694600 47.9382 -6.20298 -69.0522 -6.20199 132.017 -212.42 -69.0512 -212.419 -67.1216 GPRESSURE: 2694600 62.1003 -35.322 -61.1911 -59.5781 203.956 -182.473 -73.8203 -140.429 -67.0038 PRESSAVG: 2694600 1.18843 -3.25751 -4.85423 -3.25748 -48.2422 25.774 -4.85416 25.7739 6.6979 GPRESSAVG: 2694600 1.52046 -0.750346 -4.71188 -4.46812 -48.9757 24.3249 -3.47 26.4 7.10816 TIMING: 2694600 CPU: 8119.06, 0.00301406/step Wall: 8119.06, 0.00301406/step, 1.93017 hours remaining, 210.117188 MB of memory in use. ENERGY: 2694600 714.1572 2061.7684 1906.5617 110.2598 -206244.9596 17896.0543 0.0000 0.0000 34254.8280 -149301.3302 299.1559 -183556.1582 -149200.4892 298.8846 37.6113 66.3507 557454.2180 -13.4520 -13.4490 PRESSURE: 2694800 -185.242 21.8505 -143.622 21.8484 -55.6933 -117.499 -143.62 -117.499 -46.3347 GPRESSURE: 2694800 -106.029 34.9443 -108.883 43.6495 -89.4085 -83.9752 -105.465 -199.846 3.42105 PRESSAVG: 2694800 37.1862 -4.37796 0.3483 -4.3779 -30.4426 -2.37131 0.348336 -2.37141 -0.933757 GPRESSAVG: 2694800 36.6381 -5.83324 -1.52999 -3.3705 -30.4983 -2.51442 2.1413 -1.52481 -0.145337 TIMING: 2694800 CPU: 8119.66, 0.00300918/step Wall: 8119.66, 0.00300918/step, 1.92688 hours remaining, 210.117188 MB of memory in use. ENERGY: 2694800 751.5113 2052.3438 1899.4147 113.4658 -206482.9509 17987.4869 0.0000 0.0000 34081.3994 -149597.3291 297.6413 -183678.7285 -149508.0100 298.2872 -95.7566 -64.0055 558525.6494 1.9366 1.9982 PRESSURE: 2695000 -26.4894 69.4113 61.5553 69.4109 14.9977 -10.0556 61.5557 -10.0568 -143.703 GPRESSURE: 2695000 14.0336 -14.4077 81.4046 138.475 85.4225 84.5883 12.9628 -49.3675 -149.141 PRESSAVG: 2695000 3.63278 -8.80128 26.7242 -8.80132 -33.8246 24.8218 26.7241 24.8217 41.2191 GPRESSAVG: 2695000 5.1322 -8.60701 28.6087 -9.8259 -34.0389 24.3278 25.1158 24.452 40.0521 TIMING: 2695000 CPU: 8120.26, 0.00298839/step Wall: 8120.26, 0.00298839/step, 1.9134 hours remaining, 210.117188 MB of memory in use. ENERGY: 2695000 748.5063 2063.0300 1923.9198 118.8017 -206370.4176 17846.2421 0.0000 0.0000 33990.4831 -149679.4347 296.8473 -183669.9177 -149577.6513 297.7792 -51.7317 -16.5617 556576.0363 3.6758 3.7151 PRESSURE: 2695200 -178.702 -20.0609 -105.251 -20.0607 -66.8809 19.5062 -105.252 19.5066 -223.96 GPRESSURE: 2695200 -105.48 -91.3138 -64.1336 -90.3693 -101.297 -8.27774 -59.1069 12.8784 -163.192 PRESSAVG: 2695200 -7.2111 -25.4731 -52.8149 -25.4731 21.4498 39.7847 -52.815 39.7847 -34.5998 GPRESSAVG: 2695200 -7.54466 -27.361 -54.0681 -24.4685 21.537 41.1959 -51.7179 39.4574 -33.9065 TIMING: 2695200 CPU: 8120.86, 0.00299393/step Wall: 8120.86, 0.00299393/step, 1.91678 hours remaining, 210.117188 MB of memory in use. ENERGY: 2695200 748.5780 2072.7952 1935.3335 112.8811 -206249.1591 17665.7036 0.0000 0.0000 34121.3429 -149592.5249 297.9902 -183713.8678 -149489.3455 298.8030 -156.5145 -123.3228 558740.6010 -6.7870 -6.6381 PRESSURE: 2695400 278.978 -65.3137 133.014 -65.3134 107.72 58.3498 133.013 58.3512 -5.41422 GPRESSURE: 2695400 248.617 -8.93951 147.227 -133.125 193.728 39.0277 109.279 91.9477 43.8603 PRESSAVG: 2695400 49.4293 -8.43776 10.9932 -8.43772 14.8684 -4.88298 10.9932 -4.88296 -22.3605 GPRESSAVG: 2695400 48.9492 -5.38084 10.9011 -9.81144 15.5855 -6.34673 11.6408 -4.57787 -22.6919 TIMING: 2695400 CPU: 8121.46, 0.00301205/step Wall: 8121.46, 0.00301205/step, 1.92821 hours remaining, 210.117188 MB of memory in use. ENERGY: 2695400 736.9849 2086.0077 1931.9510 123.2178 -206696.7427 18088.1022 0.0000 0.0000 34048.4477 -149682.0314 297.3536 -183730.4791 -149586.5679 298.1358 127.0948 162.0685 556512.5603 13.9791 13.9476 PRESSURE: 2695600 -77.2945 -61.6025 -83.4088 -61.6035 43.6065 107.107 -83.4096 107.109 225.182 GPRESSURE: 2695600 43.4288 -6.03828 -109.975 -31.0175 79.4799 112.472 -124.062 46.9994 165.717 PRESSAVG: 2695600 39.3477 -19.4428 -14.2811 -19.4426 8.13631 -12.1854 -14.2812 -12.1854 -35.8386 GPRESSAVG: 2695600 40.1444 -20.6888 -13.3556 -16.848 7.82216 -13.3501 -15.7 -11.91 -36.2681 TIMING: 2695600 CPU: 8122.06, 0.00297525/step Wall: 8122.06, 0.00297525/step, 1.90449 hours remaining, 210.117188 MB of memory in use. ENERGY: 2695600 743.8890 2097.9671 1921.5337 101.0661 -206885.5523 18199.6290 0.0000 0.0000 34277.0245 -149544.4430 299.3498 -183821.4675 -149447.1167 298.2503 63.8315 96.2085 557415.7920 3.8818 3.8995 PRESSURE: 2695800 232.792 -67.3397 13.4857 -67.3407 110.783 -45.5209 13.4856 -45.518 -3.45252 GPRESSURE: 2695800 226.169 -89.8408 -14.7383 -63.8406 162.438 -42.7439 20.0969 -27.326 28.6067 PRESSAVG: 2695800 17.6519 -35.4295 -51.3461 -35.4296 -9.90574 -16.2539 -51.3461 -16.254 24.1517 GPRESSAVG: 2695800 17.37 -34.7639 -50.4179 -35.4811 -10.2462 -14.9742 -50.7465 -17.7723 24.3272 TIMING: 2695800 CPU: 8122.65, 0.00297864/step Wall: 8122.65, 0.00297864/step, 1.90649 hours remaining, 210.117188 MB of memory in use. ENERGY: 2695800 748.7655 2046.5475 1952.4130 122.7835 -206536.5506 17909.0089 0.0000 0.0000 34118.0141 -149639.0181 297.9611 -183757.0322 -149537.4774 298.3148 113.3743 139.0709 557069.7525 10.6326 10.4837 PRESSURE: 2696000 8.04001 -15.5441 -93.3914 -15.5443 -99.0684 -59.3893 -93.3917 -59.3895 65.3356 GPRESSURE: 2696000 60.0625 35.6536 -95.4129 48.3826 -66.5514 -88.2596 -86.6726 -45.6399 77.6555 PRESSAVG: 2696000 -15.295 -27.9579 0.853147 -27.958 7.13199 -19.682 0.853107 -19.682 17.1537 GPRESSAVG: 2696000 -15.1456 -27.67 1.19484 -30.8512 6.47223 -19.43 0.220283 -18.9484 17.2455 TIMING: 2696000 CPU: 8123.25, 0.00300196/step Wall: 8123.25, 0.00300196/step, 1.92125 hours remaining, 210.117188 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: 2696000 739.9057 2079.3510 1934.1414 108.8350 -206419.7977 17840.4395 0.0000 0.0000 34225.4771 -149491.6481 298.8996 -183717.1252 -149392.3887 298.0496 -8.5643 23.7222 558116.2702 2.9969 2.8574 PRESSURE: 2696200 -130.071 22.9502 -26.7974 22.9516 76.512 35.4865 -26.7976 35.4875 231.674 GPRESSURE: 2696200 -48.6027 -29.3999 -1.85654 9.46949 102.845 -59.9223 -69.9616 186.49 228.603 PRESSAVG: 2696200 0.451581 2.93227 4.5128 2.9322 -44.9862 -8.50336 4.51276 -8.50342 30.4615 GPRESSAVG: 2696200 0.16961 1.60922 4.09656 5.54044 -44.777 -9.18593 2.57454 -7.49211 30.1495 TIMING: 2696200 CPU: 8123.85, 0.00300157/step Wall: 8123.85, 0.00300157/step, 1.92084 hours remaining, 210.117188 MB of memory in use. ENERGY: 2696200 708.1363 2078.1108 1939.2569 120.6687 -206280.9634 17850.4196 0.0000 0.0000 34326.3311 -149258.0401 299.7804 -183584.3712 -149165.2021 298.5895 59.3717 94.2817 558916.6186 -4.6910 -4.8193 LDB: ============= START OF LOAD BALANCING ============== 8127.37 LDB: ============== END OF LOAD BALANCING =============== 8127.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8127.37 LDB: ============= START OF LOAD BALANCING ============== 8127.67 LDB: Largest compute 4772 load 0.026385 is 22.3% of average load 0.118157 LDB: Average compute 0.001734 is 1.5% of average load 0.118157 LDB: TIME 8127.67 LOAD: AVG 0.118157 MAX 0.206346 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.918 MB LDB: TIME 8127.68 LOAD: AVG 0.118157 MAX 0.206346 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.121 MB LDB: TIME 8127.68 LOAD: AVG 0.118157 MAX 0.206346 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.121 MB LDB: ============== END OF LOAD BALANCING =============== 8127.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8127.68 PRESSURE: 2696400 98.882 85.8504 -27.0397 85.8507 200.703 -10.9105 -27.0393 -10.9094 20.5482 GPRESSURE: 2696400 153.732 105.847 -62.2944 99.6028 231.544 -7.11457 21.424 38.1384 23.9513 PRESSAVG: 2696400 -40.9401 -38.9534 -55.0013 -38.9534 -23.6902 9.45607 -55.0012 9.45613 47.5167 GPRESSAVG: 2696400 -41.6629 -37.7933 -56.4439 -40.1442 -23.6804 8.69958 -52.6505 10.7759 47.9863 TIMING: 2696400 CPU: 8124.46, 0.00305355/step Wall: 8124.46, 0.00305355/step, 1.95393 hours remaining, 211.511719 MB of memory in use. ENERGY: 2696400 754.7501 2116.7395 1911.8419 96.6503 -206562.0922 18085.2953 0.0000 0.0000 34334.6573 -149262.1578 299.8531 -183596.8151 -149167.7858 299.6805 106.7110 136.4091 557699.4652 -5.7045 -5.7857 PRESSURE: 2696600 13.7212 87.6343 -77.3394 87.6348 117.355 -25.7167 -77.3397 -25.716 99.2134 GPRESSURE: 2696600 121.609 66.2754 -50.1525 7.08836 79.1724 20.2327 -6.83019 -78.5219 130.289 PRESSAVG: 2696600 7.29657 -22.008 8.72098 -22.008 -9.09215 37.2164 8.72097 37.2164 -19.7343 GPRESSAVG: 2696600 7.33582 -21.1603 8.43372 -22.5399 -8.5563 40.1412 9.51558 35.661 -20.44 TIMING: 2696600 CPU: 8125.06, 0.00296227/step Wall: 8125.06, 0.00296227/step, 1.89536 hours remaining, 211.714844 MB of memory in use. ENERGY: 2696600 764.0179 2107.1220 1924.2403 112.9222 -206792.2518 18217.9970 0.0000 0.0000 34319.3670 -149346.5854 299.7196 -183665.9524 -149255.6626 299.1885 76.7633 110.3567 557159.7997 -7.1766 -7.2202 PRESSURE: 2696800 -147.154 -53.9676 -69.5515 -53.967 36.4678 -62.1195 -69.5522 -62.1199 -540.641 GPRESSURE: 2696800 -162.791 54.7596 14.1086 -144.813 125.314 -16.9367 -156.246 -80.6387 -531.307 PRESSAVG: 2696800 -25.2416 -19.2509 -7.09416 -19.2509 100.522 -7.99142 -7.09414 -7.99146 -85.7419 GPRESSAVG: 2696800 -24.4952 -20.8459 -5.45414 -18.4764 100.989 -8.50863 -8.51613 -9.43503 -86.3986 TIMING: 2696800 CPU: 8125.65, 0.00296972/step Wall: 8125.65, 0.00296972/step, 1.89996 hours remaining, 211.714844 MB of memory in use. ENERGY: 2696800 740.1264 2113.9284 1948.1594 117.6814 -206188.8891 17585.3947 0.0000 0.0000 34177.4960 -149506.1029 298.4806 -183683.5989 -149405.6927 298.5259 -217.1089 -189.5948 557651.4231 -3.4873 -3.3018 PRESSURE: 2697000 212.785 184.109 12.1895 184.11 -14.088 -64.4003 12.1902 -64.4005 202.24 GPRESSURE: 2697000 153.322 101.26 27.6246 266.17 60.2849 -72.2953 -8.44103 -67.8454 271.97 PRESSAVG: 2697000 28.4338 2.8496 28.2469 2.84964 -30.0005 -7.6435 28.247 -7.64353 25.0514 GPRESSAVG: 2697000 28.1279 3.36647 27.8487 3.76297 -31.6964 -7.82641 27.7138 -7.63179 27.7667 TIMING: 2697000 CPU: 8126.25, 0.00296995/step Wall: 8126.25, 0.00296995/step, 1.89994 hours remaining, 211.714844 MB of memory in use. ENERGY: 2697000 762.1750 2091.9533 1937.8786 121.8746 -206791.7056 18028.0518 0.0000 0.0000 34335.3047 -149514.4675 299.8588 -183849.7722 -149426.7262 298.9361 133.6455 161.8590 556310.0613 7.8282 8.0661 PRESSURE: 2697200 250.868 1.55385 -13.8899 1.55346 -146.753 -95.1691 -13.8904 -95.1693 -35.4111 GPRESSURE: 2697200 286.292 -68.6016 12.1342 -30.4983 -87.5882 -161.531 -0.119271 -58.7062 -6.19653 PRESSAVG: 2697200 -26.9273 4.92999 36.6415 4.93 -16.5734 17.9029 36.6415 17.903 48.2842 GPRESSAVG: 2697200 -26.4386 4.72963 36.3929 3.54387 -16.1717 17.7273 36.8223 19.3182 47.4911 TIMING: 2697200 CPU: 8126.84, 0.0029886/step Wall: 8126.84, 0.0029886/step, 1.91171 hours remaining, 211.714844 MB of memory in use. ENERGY: 2697200 756.8710 2055.5839 1923.3455 104.8224 -206202.6139 17868.7247 0.0000 0.0000 34097.1827 -149396.0836 297.7792 -183493.2664 -149309.8592 298.6292 22.9015 64.1691 557085.2141 1.5945 1.6269 PRESSURE: 2697400 -45.1115 -19.4367 139.092 -19.437 -175.201 -21.5529 139.092 -21.5519 -309.7 GPRESSURE: 2697400 -37.3015 21.3399 210.26 -25.1106 -112.279 4.54342 63.3256 -38.0115 -280.645 PRESSAVG: 2697400 21.2588 -11.1158 -19.2959 -11.1158 -10.6834 34.1641 -19.2959 34.1641 -35.184 GPRESSAVG: 2697400 21.5955 -10.9396 -19.0619 -11.9035 -11.0984 34.2728 -19.4074 32.6573 -35.3641 TIMING: 2697400 CPU: 8127.43, 0.00294131/step Wall: 8127.43, 0.00294131/step, 1.88129 hours remaining, 211.714844 MB of memory in use. ENERGY: 2697400 743.4722 2071.3670 1916.6533 111.6172 -205857.6047 17562.1556 0.0000 0.0000 34329.6688 -149122.6706 299.8095 -183452.3394 -149023.9345 299.6730 -176.6711 -143.4086 558104.9877 -8.2029 -8.2890 PRESSURE: 2697600 119.963 -36.3647 -46.8963 -36.3646 36.4897 78.5118 -46.8962 78.513 -125.332 GPRESSURE: 2697600 95.1816 50.9203 -60.3586 -38.4891 73.4263 49.7244 -39.6513 61.0641 -43.7442 PRESSAVG: 2697600 -42.368 -13.0363 -39.5002 -13.0362 57.8553 50.1824 -39.5003 50.1823 -31.006 GPRESSAVG: 2697600 -42.9976 -11.8353 -40.5993 -10.3305 58.76 49.9286 -37.6016 52.0479 -31.2889 TIMING: 2697600 CPU: 8128.02, 0.0029657/step Wall: 8128.02, 0.0029657/step, 1.89673 hours remaining, 211.714844 MB of memory in use. ENERGY: 2697600 700.2748 2074.9264 1923.3268 112.5317 -206289.9838 17768.2998 0.0000 0.0000 34382.2349 -149328.3895 300.2686 -183710.6244 -149230.3074 299.3331 10.3736 41.6213 556490.4925 -5.1729 -5.1755 PRESSURE: 2697800 57.0642 7.61401 -98.0729 7.61383 -6.90654 -263.038 -98.072 -263.038 20.2939 GPRESSURE: 2697800 140.282 17.3981 -92.1786 49.5631 17.8887 -259.618 -188.946 -169.127 22.5868 PRESSAVG: 2697800 2.14948 61.7725 8.55433 61.7725 68.3842 -22.4285 8.55432 -22.4284 -9.02495 GPRESSAVG: 2697800 3.10527 61.7467 7.76701 60.5472 67.7144 -23.8987 7.11896 -21.6494 -8.51302 TIMING: 2697800 CPU: 8128.62, 0.00297612/step Wall: 8128.62, 0.00297612/step, 1.90323 hours remaining, 211.714844 MB of memory in use. ENERGY: 2697800 757.2435 2046.3831 1899.5288 116.2825 -206180.8620 17927.2084 0.0000 0.0000 33993.9389 -149440.2767 296.8775 -183434.2156 -149343.4535 298.3597 23.4838 60.2526 557451.9623 20.5029 20.7689 PRESSURE: 2698000 7.76198 44.573 -119.835 44.5733 -29.1301 -37.4326 -119.836 -37.4317 -335.829 GPRESSURE: 2698000 15.4514 34.7836 -39.5541 -36.6485 27.7881 -25.4067 -51.3125 -74.6317 -293.468 PRESSAVG: 2698000 28.8209 38.2767 -33.7504 38.2767 -2.43934 -26.9417 -33.7505 -26.9417 -38.5963 GPRESSAVG: 2698000 29.4192 38.6676 -33.1522 36.2896 -1.93221 -26.1897 -33.7063 -28.421 -39.4564 TIMING: 2698000 CPU: 8129.21, 0.00295138/step Wall: 8129.21, 0.00295138/step, 1.88724 hours remaining, 211.785156 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: 2698000 764.3435 2084.0152 1951.9127 108.2956 -206153.9246 17823.4555 0.0000 0.0000 33952.5559 -149469.3462 296.5161 -183421.9021 -149371.8025 298.4872 -119.0659 -83.4094 557520.0543 -4.0716 -3.9898 PRESSURE: 2698200 -46.7349 -27.734 -91.608 -27.7341 -126.675 -13.2597 -91.6078 -13.2603 17.9218 GPRESSURE: 2698200 -33.8633 105.182 -73.7151 -47.7054 -131.134 -21.9257 -109.952 -2.44921 95.9924 PRESSAVG: 2698200 -37.7016 -3.21781 -28.7272 -3.21773 7.89412 2.46354 -28.7272 2.46351 57.6325 GPRESSAVG: 2698200 -38.3241 -5.55755 -29.0819 -1.34884 7.19208 1.54263 -28.8318 4.04348 58.5723 TIMING: 2698200 CPU: 8129.81, 0.00297965/step Wall: 8129.81, 0.00297965/step, 1.90516 hours remaining, 211.785156 MB of memory in use. ENERGY: 2698200 784.2637 2085.4217 1906.7827 110.1558 -206258.3342 17864.5492 0.0000 0.0000 34155.6601 -149351.5010 298.2899 -183507.1611 -149256.0794 298.0715 -51.8293 -23.0016 558498.1735 9.2750 9.1468 PRESSURE: 2698400 55.9423 -26.2214 61.8292 -26.2202 84.223 -61.262 61.8288 -61.262 -266.516 GPRESSURE: 2698400 78.6549 -26.8787 64.8257 -108.173 83.4798 -104.53 86.3362 -61.4689 -192.356 PRESSAVG: 2698400 -13.1242 20.4606 25.7007 20.4606 42.4974 39.22 25.7006 39.22 13.6273 GPRESSAVG: 2698400 -13.1666 22.6007 27.3228 18.4632 43.7236 41.0702 23.1774 36.2361 12.5111 TIMING: 2698400 CPU: 8130.4, 0.00295836/step Wall: 8130.4, 0.00295836/step, 1.89138 hours remaining, 211.785156 MB of memory in use. ENERGY: 2698400 771.8576 2101.3309 1946.9699 116.3495 -206251.0113 17796.5850 0.0000 0.0000 34000.5386 -149517.3797 296.9352 -183517.9184 -149424.3872 298.5484 -42.1169 -10.0736 557708.7411 14.3335 14.3560 PRESSURE: 2698600 -80.7336 106.565 139.218 106.566 -103.198 -52.5554 139.217 -52.557 -89.5727 GPRESSURE: 2698600 -49.2838 180.395 207.461 93.7443 -80.5866 -49.2943 174.695 -34.0671 -41.4045 PRESSAVG: 2698600 10.4136 29.9941 28.3179 29.994 66.2191 8.33092 28.318 8.33075 -35.2364 GPRESSAVG: 2698600 10.0273 29.0614 27.61 31.3696 64.3612 8.21691 32.3184 10.3767 -32.8985 TIMING: 2698600 CPU: 8130.99, 0.00298326/step Wall: 8130.99, 0.00298326/step, 1.90713 hours remaining, 211.988281 MB of memory in use. ENERGY: 2698600 766.9865 2117.9294 1916.7178 99.2231 -206538.8743 17817.7766 0.0000 0.0000 34305.5285 -149514.7124 299.5987 -183820.2409 -149422.0920 298.9496 -91.1682 -57.0916 557123.5434 13.7987 13.8300 PRESSURE: 2698800 -15.8462 130.944 104.822 130.944 60.8502 19.869 104.822 19.8696 -17.6796 GPRESSURE: 2698800 -59.7727 217.313 65.5752 118.746 125.976 31.0844 161.914 103.379 64.9946 PRESSAVG: 2698800 5.60597 30.7034 -24.866 30.7034 -26.9891 11.0562 -24.866 11.0563 15.003 GPRESSAVG: 2698800 6.70303 29.9532 -23.8173 31.1156 -25.7486 9.6319 -26.8244 9.5198 13.0411 TIMING: 2698800 CPU: 8131.59, 0.00297733/step Wall: 8131.59, 0.00297733/step, 1.90317 hours remaining, 211.988281 MB of memory in use. ENERGY: 2698800 730.1352 2072.6202 1919.6254 100.2406 -206622.6485 18052.8050 0.0000 0.0000 34254.3495 -149492.8726 299.1518 -183747.2221 -149397.6836 298.5543 9.1081 43.7326 558362.8307 -2.1267 -2.0015 PRESSURE: 2699000 -124.971 -7.23485 46.9641 -7.23462 47.379 -39.6059 46.9643 -39.6049 6.22259 GPRESSURE: 2699000 -25.6049 12.2615 24.793 93.7467 44.8517 92.0707 108.73 -116.188 -2.33159 PRESSAVG: 2699000 -5.03459 42.6373 76.7782 42.6372 -18.7679 67.0385 76.7782 67.0386 -16.1567 GPRESSAVG: 2699000 -4.75345 41.7453 76.4541 42.5295 -18.5827 66.0814 76.8434 68.998 -16.6377 TIMING: 2699000 CPU: 8132.19, 0.00298614/step Wall: 8132.19, 0.00298614/step, 1.90864 hours remaining, 211.988281 MB of memory in use. ENERGY: 2699000 733.7304 2054.5372 1901.5353 112.7059 -206241.8157 17759.8814 0.0000 0.0000 34325.7399 -149353.6857 299.7752 -183679.4256 -149261.2387 298.8095 -23.7898 5.6384 556522.5007 -13.3197 -13.3246 PRESSURE: 2699200 151.949 9.38872 -132.255 9.38975 137.965 -179.267 -132.254 -179.268 -142.405 GPRESSURE: 2699200 203.704 1.62996 -52.81 -1.03536 195.739 -158.126 -174.707 -153.255 -165.116 PRESSAVG: 2699200 53.2072 6.44936 -38.9818 6.44934 -22.1525 -1.70878 -38.9818 -1.70866 -28.5717 GPRESSAVG: 2699200 52.635 9.76831 -38.9791 6.25755 -22.77 0.644923 -39.4741 -1.86215 -27.6222 TIMING: 2699200 CPU: 8132.79, 0.00299412/step Wall: 8132.79, 0.00299412/step, 1.91357 hours remaining, 211.988281 MB of memory in use. ENERGY: 2699200 751.8672 2119.6270 1918.5314 94.6806 -206314.5103 17947.0276 0.0000 0.0000 34228.2490 -149254.5275 298.9238 -183482.7765 -149154.1022 299.3697 49.1696 78.1090 557950.0804 0.8277 0.7476 PRESSURE: 2699400 -136.816 -8.17921 235.362 -8.17896 50.4594 34.3354 235.36 34.3352 -25.6851 GPRESSURE: 2699400 -117.034 -9.14454 288.415 19.1464 90.6837 41.2631 172.673 41.9384 11.7162 PRESSAVG: 2699400 11.2161 2.06175 -57.7066 2.06183 73.8345 73.4364 -57.7065 73.4364 -36.3245 GPRESSAVG: 2699400 10.6703 0.747611 -59.2195 1.89919 73.9694 73.1519 -57.2427 73.1579 -35.7847 TIMING: 2699400 CPU: 8133.38, 0.00298913/step Wall: 8133.38, 0.00298913/step, 1.91022 hours remaining, 211.988281 MB of memory in use. ENERGY: 2699400 762.8696 2123.3513 1949.9213 120.1685 -206301.8485 17610.0406 0.0000 0.0000 34282.5442 -149452.9531 299.3980 -183735.4972 -149351.2899 299.0846 -37.3471 -4.8780 556007.1461 16.2420 16.2850 PRESSURE: 2699600 -49.4349 -60.4003 -18.6086 -60.4018 172.288 -15.1561 -18.6085 -15.1565 302.45 GPRESSURE: 2699600 -7.03754 -61.3265 -4.00196 -62.9096 200.469 -10.3403 1.87615 -13.9981 330.282 PRESSAVG: 2699600 10.9667 29.81 10.3272 29.81 45.8152 53.1266 10.3272 53.1265 -23.816 GPRESSAVG: 2699600 10.4818 28.7545 11.9373 29.3031 47.6265 51.119 11.8944 54.0859 -24.4895 TIMING: 2699600 CPU: 8133.98, 0.00295889/step Wall: 8133.98, 0.00295889/step, 1.89073 hours remaining, 211.988281 MB of memory in use. ENERGY: 2699600 686.2199 2027.2473 1955.5298 101.4314 -206646.2114 18144.0513 0.0000 0.0000 34194.1513 -149537.5805 298.6260 -183731.7317 -149439.1965 298.8463 141.7678 174.5710 558759.3657 10.9887 11.2063 PRESSURE: 2699800 82.9357 -25.8267 46.8408 -25.8271 -49.3278 -60.3871 46.8401 -60.3876 26.0028 GPRESSURE: 2699800 68.0017 3.41324 106.305 -7.17857 73.2538 -29.9696 24.636 23.9654 21.3598 PRESSAVG: 2699800 6.78455 5.63772 -16.354 5.63771 50.8181 -2.18854 -16.3539 -2.18855 -49.1398 GPRESSAVG: 2699800 8.7425 5.79049 -17.0849 6.20166 49.2828 0.53695 -17.9415 -3.46123 -49.6001 TIMING: 2699800 CPU: 8134.57, 0.00298617/step Wall: 8134.57, 0.00298617/step, 1.908 hours remaining, 211.988281 MB of memory in use. ENERGY: 2699800 731.3784 2101.3437 1925.9053 113.6279 -206578.7326 17937.0148 0.0000 0.0000 34279.7363 -149489.7263 299.3735 -183769.4625 -149397.5298 298.5525 19.8703 54.2051 557305.4100 2.8210 2.8084 PRESSURE: 2700000 49.041 19.0993 -1.88646 19.0993 -163.032 70.3187 -1.88666 70.3198 -304.051 GPRESSURE: 2700000 86.7574 -63.934 -36.4884 130.73 -184.056 54.9693 65.0561 38.6888 -229.391 PRESSAVG: 2700000 33.023 -21.7462 -7.41026 -21.7461 -14.053 -22.3329 -7.41039 -22.333 -52.338 GPRESSAVG: 2700000 32.6053 -21.7184 -7.55053 -20.3975 -13.6854 -23.8247 -5.49222 -23.7756 -52.0788 TIMING: 2700000 CPU: 8135.17, 0.00297498/step Wall: 8135.17, 0.00297498/step, 1.90068 hours remaining, 211.988281 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: 2700000 748.9846 2153.2995 1896.2627 124.1773 -206221.1887 17611.8587 0.0000 0.0000 34097.0237 -149589.5822 297.7778 -183686.6059 -149482.6512 298.2843 -139.3472 -108.8964 558894.9100 -11.1227 -11.0530 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2700000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 2700000 WRITING COORDINATES TO RESTART FILE AT STEP 2700000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2700200 -16.0005 40.3026 -4.50584 40.3024 -6.52809 110.956 -4.50609 110.954 127.472 GPRESSURE: 2700200 13.7349 74.8659 -27.7918 57.3656 6.91175 44.3254 -66.5009 162.507 167.912 PRESSAVG: 2700200 -36.483 -15.7582 5.24827 -15.7582 40.6274 46.2657 5.24825 46.2658 22.1868 GPRESSAVG: 2700200 -37.4807 -15.0743 4.28842 -16.9103 40.7347 44.7866 3.72009 49.8533 22.5408 TIMING: 2700200 CPU: 8135.83, 0.00330166/step Wall: 8135.83, 0.00330166/step, 2.10921 hours remaining, 211.988281 MB of memory in use. ENERGY: 2700200 768.6821 2102.7415 1910.2928 117.4884 -206851.0598 18165.5219 0.0000 0.0000 34106.8086 -149679.5245 297.8632 -183786.3331 -149583.1949 298.1020 34.9812 62.8529 557032.9870 8.7771 8.5983 LDB: ============= START OF LOAD BALANCING ============== 8139.34 LDB: ============== END OF LOAD BALANCING =============== 8139.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8139.34 LDB: ============= START OF LOAD BALANCING ============== 8139.64 LDB: Largest compute 4772 load 0.023844 is 20.2% of average load 0.118093 LDB: Average compute 0.001730 is 1.5% of average load 0.118093 LDB: TIME 8139.64 LOAD: AVG 0.118093 MAX 0.203322 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.43 MB LDB: TIME 8139.64 LOAD: AVG 0.118093 MAX 0.203322 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: TIME 8139.64 LOAD: AVG 0.118093 MAX 0.203322 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: ============== END OF LOAD BALANCING =============== 8139.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8139.65 PRESSURE: 2700400 -177.347 -53.6066 37.3371 -53.6071 -168.053 -159.798 37.3365 -159.795 -440.071 GPRESSURE: 2700400 -149.576 16.2254 79.4655 -25.7183 -142.152 -236.555 -64.7816 -160.809 -397.404 PRESSAVG: 2700400 -34.9021 39.1747 -3.20336 39.1748 11.4103 28.3365 -3.20329 28.3366 7.40543 GPRESSAVG: 2700400 -34.8647 38.4639 -2.11806 39.9909 11.1568 29.0549 -3.63177 28.2414 7.82484 TIMING: 2700400 CPU: 8136.43, 0.00302834/step Wall: 8136.43, 0.00302834/step, 1.93444 hours remaining, 208.621094 MB of memory in use. ENERGY: 2700400 731.8870 2092.9719 1911.4067 125.9912 -205954.2591 17533.4480 0.0000 0.0000 33988.1171 -149570.4372 296.8267 -183558.5543 -149466.0661 298.4613 -261.8240 -229.7104 557925.0679 -5.3621 -5.2944 PRESSURE: 2700600 -150.718 -0.810016 -28.2297 -0.809386 130.025 -115.464 -28.2309 -115.462 -88.7201 GPRESSURE: 2700600 -87.5704 -33.3461 3.12463 10.3839 128.93 -150.159 -38.3863 -134.574 -46.2639 PRESSAVG: 2700600 9.42437 73.2601 -33.4774 73.2602 4.08554 8.82934 -33.4774 8.82937 -44.4558 GPRESSAVG: 2700600 10.3507 73.6169 -32.4604 72.1839 3.33754 10.7236 -33.1442 6.66368 -45.0847 TIMING: 2700600 CPU: 8137.03, 0.00296229/step Wall: 8137.03, 0.00296229/step, 1.89208 hours remaining, 208.621094 MB of memory in use. ENERGY: 2700600 733.0336 2104.5527 1920.4043 125.2832 -206424.7119 17765.5678 0.0000 0.0000 34202.9796 -149572.8907 298.7031 -183775.8703 -149476.8306 298.4806 -36.4712 -1.6348 556712.7877 -10.3153 -10.4655 PRESSURE: 2700800 81.8781 12.3909 90.5448 12.3913 60.8461 -170.97 90.5458 -170.97 45.7023 GPRESSURE: 2700800 111.738 62.2352 45.8004 -20.5572 89.7219 -207.316 152.147 -157.775 82.8456 PRESSAVG: 2700800 -34.0456 -9.42681 -20.306 -9.4268 -26.47 -36.5191 -20.3061 -36.5189 23.5431 GPRESSAVG: 2700800 -35.9139 -7.84863 -19.5036 -9.18611 -25.7872 -38.3409 -19.5755 -36.1372 24.3244 TIMING: 2700800 CPU: 8137.62, 0.00295843/step Wall: 8137.62, 0.00295843/step, 1.88945 hours remaining, 208.621094 MB of memory in use. ENERGY: 2700800 763.8153 2106.6263 1908.5755 96.4570 -206731.6165 18121.3618 0.0000 0.0000 34056.7742 -149678.0063 297.4263 -183734.7805 -149581.7245 297.6779 62.8088 94.7686 558213.3159 -12.3242 -12.4589 PRESSURE: 2701000 -155.259 148.459 22.5872 148.458 -163.281 19.9339 22.5868 19.9338 -424.808 GPRESSURE: 2701000 -122.471 180.049 9.95857 91.9323 -125.255 -62.0972 -39.2429 55.7508 -401.258 PRESSAVG: 2701000 24.8263 38.4989 -4.23722 38.4988 11.9655 2.05516 -4.23722 2.05522 -38.3358 GPRESSAVG: 2701000 26.3353 38.3307 -4.43809 39.3284 10.9802 1.87611 -5.11587 2.24898 -39.3174 TIMING: 2701000 CPU: 8138.21, 0.00296229/step Wall: 8138.21, 0.00296229/step, 1.89175 hours remaining, 208.621094 MB of memory in use. ENERGY: 2701000 790.9045 2111.8626 1902.3675 110.9963 -206193.7228 17691.9390 0.0000 0.0000 33941.3993 -149644.2537 296.4187 -183585.6530 -149548.2299 297.4237 -247.7825 -216.3280 559651.2570 -0.5146 -0.6673 PRESSURE: 2701200 -56.56 43.7773 170.376 43.7782 -234.858 -58.7776 170.375 -58.7773 2.40555 GPRESSURE: 2701200 -84.1434 19.6604 180.632 24.3586 -131.721 -81.6737 188.236 -23.3079 14.4701 PRESSAVG: 2701200 -70.0806 -14.5716 27.8247 -14.5716 17.9057 -7.26555 27.8247 -7.26549 12.4108 GPRESSAVG: 2701200 -71.0066 -17.5207 28.6711 -14.9268 18.0387 -7.37763 27.7867 -7.60706 12.8347 TIMING: 2701200 CPU: 8138.81, 0.00298473/step Wall: 8138.81, 0.00298473/step, 1.90591 hours remaining, 208.621094 MB of memory in use. ENERGY: 2701200 715.0804 2101.6913 1922.1230 109.9365 -206141.7731 17670.7210 0.0000 0.0000 34005.0405 -149617.1804 296.9745 -183622.2210 -149520.7974 297.9766 -96.3375 -67.1313 556937.3585 -13.2547 -13.3777 PRESSURE: 2701400 -60.0907 112.219 12.5837 112.22 29.0844 -68.7401 12.5846 -68.7391 -198.624 GPRESSURE: 2701400 -43.7007 117.778 35.8822 15.0546 69.6611 -59.5337 -21.0761 -64.9359 -157.228 PRESSAVG: 2701400 10.3353 10.7702 38.3356 10.7702 -0.233481 -95.9223 38.3356 -95.9222 17.0876 GPRESSAVG: 2701400 11.2177 12.1961 35.6696 10.1437 -0.456839 -96.0463 37.9973 -95.8157 16.7035 TIMING: 2701400 CPU: 8139.4, 0.0029808/step Wall: 8139.4, 0.0029808/step, 1.90324 hours remaining, 208.621094 MB of memory in use. ENERGY: 2701400 748.2498 2076.3075 1923.8953 110.7005 -206128.3906 17754.0789 0.0000 0.0000 34018.1810 -149496.9775 297.0892 -183515.1585 -149401.7055 298.3894 -76.5434 -43.7559 557980.3095 9.0631 9.1548 PRESSURE: 2701600 -193.771 -70.1602 -43.4892 -70.1583 85.634 -124.779 -43.4881 -124.78 -21.1564 GPRESSURE: 2701600 -113.179 -8.83804 -47.4362 -138.53 79.8755 -86.1372 -98.549 -222.75 0.142284 PRESSAVG: 2701600 15.9328 -7.25293 -36.7131 -7.25297 -40.8576 -42.2729 -36.7132 -42.2729 13.1057 GPRESSAVG: 2701600 15.1167 -6.2705 -38.5387 -6.81842 -40.7202 -40.3887 -36.1171 -43.1813 13.7194 TIMING: 2701600 CPU: 8140, 0.00298288/step Wall: 8140, 0.00298288/step, 1.90441 hours remaining, 208.621094 MB of memory in use. ENERGY: 2701600 743.6107 2071.6103 1914.8312 123.7973 -206323.2860 17880.5085 0.0000 0.0000 34227.4521 -149361.4759 298.9169 -183588.9280 -149268.8155 298.7157 -43.0977 -11.0538 558123.8762 -3.9397 -3.9614 PRESSURE: 2701800 -55.5327 21.1481 -85.6525 21.1478 -77.8745 -16.541 -85.6526 -16.5405 81.693 GPRESSURE: 2701800 14.8602 -62.2937 -137.068 131.504 -75.652 -16.218 -30.5396 -27.0949 118.955 PRESSAVG: 2701800 14.8611 -19.9297 -57.7061 -19.9297 -27.5114 -7.45179 -57.706 -7.45186 13.2357 GPRESSAVG: 2701800 14.0596 -19.7407 -55.6106 -20.3975 -27.5174 -9.09093 -57.6291 -5.23478 13.9281 TIMING: 2701800 CPU: 8140.6, 0.0030126/step Wall: 8140.6, 0.0030126/step, 1.92321 hours remaining, 208.621094 MB of memory in use. ENERGY: 2701800 705.8278 2075.5502 1922.4538 118.6142 -205992.5567 17670.1007 0.0000 0.0000 34198.8429 -149301.1670 298.6670 -183500.0099 -149211.4960 299.1570 -17.2381 19.3877 557396.5687 0.1951 0.1568 PRESSURE: 2702000 -126.186 -113.781 -106.782 -113.779 -57.3826 108.119 -106.782 108.118 39.9065 GPRESSURE: 2702000 -76.5834 -102.605 -65.5235 -159.006 -14.917 131.457 -134.668 57.1454 40.6662 PRESSAVG: 2702000 25.9113 21.6953 -30.3952 21.6954 -45.3985 70.923 -30.3952 70.923 46.3148 GPRESSAVG: 2702000 27.1399 21.0673 -28.0134 21.1685 -45.1266 71.2852 -29.385 69.5358 44.8741 TIMING: 2702000 CPU: 8141.21, 0.00304231/step Wall: 8141.21, 0.00304231/step, 1.94201 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: 2702000 770.5450 2123.1156 1907.3039 113.3003 -206317.4524 17838.5097 0.0000 0.0000 34390.8793 -149173.7986 300.3441 -183564.6779 -149071.2413 299.8499 -47.8875 -16.9447 557842.3422 8.9425 8.9624 PRESSURE: 2702200 -114.871 -37.9166 -151.071 -37.9167 95.7458 -100.667 -151.07 -100.668 112.676 GPRESSURE: 2702200 -129.484 -96.6062 -268.727 -114.687 152.447 -108.593 -131.532 -116.89 169.017 PRESSAVG: 2702200 -45.8822 39.1694 0.0304968 39.1695 41.3964 12.9262 0.0306037 12.9261 -8.06349 GPRESSAVG: 2702200 -45.9949 39.9848 -3.05925 38.8335 41.053 13.1983 0.659158 12.9402 -7.63158 TIMING: 2702200 CPU: 8141.82, 0.00302293/step Wall: 8141.82, 0.00302293/step, 1.92947 hours remaining, 208.621094 MB of memory in use. ENERGY: 2702200 746.7895 2015.2646 1951.1177 110.6205 -206197.9135 17804.3574 0.0000 0.0000 34339.5729 -149230.1908 299.8960 -183569.7637 -149127.0315 299.3302 31.1837 63.9933 557537.2871 -4.1831 -4.1912 PRESSURE: 2702400 217.53 -46.8161 -16.5279 -46.8148 -42.2476 14.8839 -16.5289 14.8823 15.272 GPRESSURE: 2702400 243.166 -46.0266 -78.8781 -17.2795 -17.6019 -32.091 -3.56941 31.6762 65.4898 PRESSAVG: 2702400 2.806 15.868 62.5788 15.8679 11.512 25.9103 62.5788 25.9105 21.6368 GPRESSAVG: 2702400 3.45433 12.288 65.6693 17.6205 12.324 24.946 60.4748 25.668 20.4248 TIMING: 2702400 CPU: 8142.42, 0.00303807/step Wall: 8142.42, 0.00303807/step, 1.93897 hours remaining, 208.621094 MB of memory in use. ENERGY: 2702400 757.1482 2100.3497 1905.2749 118.9376 -206577.9117 17994.6167 0.0000 0.0000 34468.9686 -149232.6161 301.0261 -183701.5846 -149123.3203 299.8035 63.5183 97.0179 556854.5867 11.9849 12.0677 PRESSURE: 2702600 -53.6658 -187.744 -0.621213 -187.743 230.608 18.6489 -0.621276 18.6483 166.873 GPRESSURE: 2702600 1.74284 -300.008 -28.0284 -118.463 259.486 69.7587 12.8606 -22.561 191.4 PRESSAVG: 2702600 -65.2381 -47.4822 43.4749 -47.4822 97.0324 27.0187 43.475 27.0187 -8.38761 GPRESSAVG: 2702600 -65.879 -44.3441 41.4643 -48.8762 96.8375 28.6551 44.7454 25.5109 -7.68151 TIMING: 2702600 CPU: 8143.03, 0.00301298/step Wall: 8143.03, 0.00301298/step, 1.92278 hours remaining, 208.621094 MB of memory in use. ENERGY: 2702600 741.6733 2074.4647 1912.9345 110.6181 -206290.9955 17901.7355 0.0000 0.0000 34243.5546 -149306.0147 299.0575 -183549.5693 -149200.2032 299.8779 114.6051 150.8764 557009.6509 7.8022 7.7590 PRESSURE: 2702800 -198.408 -12.5079 106.52 -12.5083 -248.531 -128.096 106.52 -128.096 -108.745 GPRESSURE: 2702800 -129.959 -13.2096 160.478 70.7299 -248.086 -170.168 36.4565 -104.447 -71.6432 PRESSAVG: 2702800 6.44178 -35.6102 -5.19503 -35.6102 33.6414 85.3671 -5.19501 85.367 -26.7934 GPRESSAVG: 2702800 6.75143 -36.2789 -4.38302 -34.5976 33.2817 85.2114 -4.84742 87.752 -26.4701 TIMING: 2702800 CPU: 8143.63, 0.00300002/step Wall: 8143.63, 0.00300002/step, 1.91435 hours remaining, 208.621094 MB of memory in use. ENERGY: 2702800 761.9496 2131.3776 1955.9700 112.8188 -205682.3004 17407.6223 0.0000 0.0000 34002.3546 -149310.2076 296.9510 -183312.5622 -149218.2317 299.0598 -185.2278 -149.8962 556815.0309 4.4299 4.5210 PRESSURE: 2703000 -69.2992 -46.1765 114.317 -46.177 -24.407 8.72733 114.316 8.72726 -1.9209 GPRESSURE: 2703000 -92.4148 10.9468 98.3809 -60.9057 27.2405 32.3606 25.832 -53.5416 56.982 PRESSAVG: 2703000 -26.4869 5.33447 -7.19956 5.33445 -35.0533 -4.51307 -7.19949 -4.51313 29.6503 GPRESSAVG: 2703000 -26.8844 6.64607 -8.20017 4.31911 -36.1447 -3.72983 -7.96755 -4.26971 30.6267 TIMING: 2703000 CPU: 8144.22, 0.00299216/step Wall: 8144.22, 0.00299216/step, 1.90917 hours remaining, 208.621094 MB of memory in use. ENERGY: 2703000 754.9753 2039.3196 1946.1128 108.5227 -206300.3931 17763.9267 0.0000 0.0000 34264.8671 -149422.6688 299.2436 -183687.5360 -149324.8289 298.8512 -31.8757 -2.7307 557513.2964 -10.6300 -10.8008 PRESSURE: 2703200 130.389 37.7109 55.0754 37.7107 -49.7818 7.18641 55.076 7.18656 -27.4061 GPRESSURE: 2703200 181.95 17.6942 144.92 -11.4749 -25.3856 -3.21064 40.0995 33.1856 -8.24919 PRESSAVG: 2703200 -43.7684 -9.5404 -0.490154 -9.54033 31.4621 -25.8562 -0.490287 -25.8563 15.971 GPRESSAVG: 2703200 -45.0055 -10.1397 3.34163 -9.9957 33.1242 -25.806 -3.71485 -25.4339 15.6448 TIMING: 2703200 CPU: 8144.82, 0.0029756/step Wall: 8144.82, 0.0029756/step, 1.89843 hours remaining, 208.621094 MB of memory in use. ENERGY: 2703200 750.9719 2111.8875 1944.0562 102.3024 -206570.0793 17947.3921 0.0000 0.0000 34201.2124 -149512.2568 298.6877 -183713.4691 -149410.8274 298.4740 17.7338 49.4384 555696.2966 1.2216 1.2545 PRESSURE: 2703400 -7.41201 -40.9624 -120.526 -40.9623 -147.677 -130.453 -120.526 -130.455 -59.0523 GPRESSURE: 2703400 -28.3895 -43.6774 -132.82 -93.7252 -156.423 -55.6658 -28.0742 -171.401 64.281 PRESSAVG: 2703400 -65.3372 6.92598 -7.84432 6.92601 20.8298 -62.3301 -7.84422 -62.33 65.9807 GPRESSAVG: 2703400 -64.1182 7.69497 -11.2026 8.29357 19.0308 -61.7666 -5.54454 -63.9302 65.5963 TIMING: 2703400 CPU: 8145.41, 0.00297477/step Wall: 8145.41, 0.00297477/step, 1.89774 hours remaining, 208.621094 MB of memory in use. ENERGY: 2703400 772.2746 2100.4473 1933.7912 97.4350 -205920.7612 17633.2794 0.0000 0.0000 34082.7308 -149300.8029 297.6530 -183383.5337 -149207.8093 298.9455 -71.3803 -40.1771 557200.6821 7.1578 6.8363 PRESSURE: 2703600 -135.073 -65.5515 156.143 -65.5521 -52.8757 12.4016 156.143 12.4027 108.293 GPRESSURE: 2703600 -71.184 -124.447 165.006 -49.9694 -22.6903 -19.2353 160.169 83.8422 103.743 PRESSAVG: 2703600 -49.587 -17.1955 13.8593 -17.1955 17.1118 3.28472 13.8592 3.28476 36.3183 GPRESSAVG: 2703600 -50.098 -16.4185 11.6712 -18.7162 17.6199 1.39865 14.6808 5.26442 35.3264 TIMING: 2703600 CPU: 8146.01, 0.00297387/step Wall: 8146.01, 0.00297387/step, 1.897 hours remaining, 208.621094 MB of memory in use. ENERGY: 2703600 813.7445 2122.0897 1928.7429 99.8297 -206441.7947 18067.7857 0.0000 0.0000 34149.9446 -149259.6576 298.2400 -183409.6022 -149162.6985 299.4328 -26.5520 3.2897 558487.9714 1.2810 0.9495 PRESSURE: 2703800 32.8632 -32.1701 -85.265 -32.1694 94.808 50.1658 -85.2642 50.1651 -80.6826 GPRESSURE: 2703800 75.8292 52.336 -44.7536 21.6333 110.156 80.6033 -112.095 -17.3262 -42.3862 PRESSAVG: 2703800 -16.5461 -21.1921 16.1036 -21.192 -7.36373 -22.5808 16.1038 -22.5807 82.0847 GPRESSAVG: 2703800 -16.5223 -22.8472 17.7289 -17.8245 -7.52487 -22.7459 16.3268 -22.602 82.2487 TIMING: 2703800 CPU: 8146.61, 0.0029848/step Wall: 8146.61, 0.0029848/step, 1.90381 hours remaining, 208.621094 MB of memory in use. ENERGY: 2703800 732.8153 2104.6979 1955.0136 100.6842 -206615.6313 18083.6827 0.0000 0.0000 34231.8930 -149406.8446 298.9556 -183638.7376 -149311.3191 298.6941 15.6629 47.8662 558661.1320 19.3916 19.4005 PRESSURE: 2704000 122.136 36.7745 171.983 36.7741 163.229 -116.474 171.983 -116.475 -102.517 GPRESSURE: 2704000 135.268 0.765241 105.566 43.6223 167.953 -122.488 108.534 -137.846 -33.4845 PRESSAVG: 2704000 52.9305 -19.403 14.194 -19.4031 -7.67531 -38.1861 14.194 -38.1861 -37.9301 GPRESSAVG: 2704000 53.1922 -17.8115 15.2194 -22.7566 -8.09656 -37.1667 14.4121 -39.3526 -38.0721 TIMING: 2704000 CPU: 8147.2, 0.00295237/step Wall: 8147.2, 0.00295237/step, 1.88295 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: 2704000 762.2863 2101.0427 1924.3449 117.5286 -206516.1823 17903.6382 0.0000 0.0000 34255.2362 -149452.1053 299.1595 -183707.3415 -149359.1342 298.8092 60.9491 89.9121 559250.4874 2.4417 2.3412 PRESSURE: 2704200 -3.2292 -4.7624 -103.981 -4.76337 75.4567 -110.146 -103.981 -110.147 -64.0229 GPRESSURE: 2704200 36.9514 -7.46156 -93.0251 -37.0008 132.194 -115.748 -100.912 -32.6729 -56.9868 PRESSAVG: 2704200 5.15262 -10.4704 -7.54486 -10.4705 8.63664 6.32417 -7.54481 6.32412 -16.9885 GPRESSAVG: 2704200 5.66312 -11.3701 -6.89569 -9.67282 7.80122 6.59054 -9.18541 7.18639 -16.7497 TIMING: 2704200 CPU: 8147.79, 0.00296114/step Wall: 8147.79, 0.00296114/step, 1.88839 hours remaining, 208.621094 MB of memory in use. ENERGY: 2704200 736.7471 2057.8239 1969.4029 118.7638 -206359.8827 17872.9528 0.0000 0.0000 34094.9088 -149509.2833 297.7593 -183604.1922 -149415.3244 298.6638 2.7349 37.3862 558211.9043 -1.0664 -1.0951 LDB: ============= START OF LOAD BALANCING ============== 8151.3 LDB: ============== END OF LOAD BALANCING =============== 8151.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8151.3 LDB: ============= START OF LOAD BALANCING ============== 8151.6 LDB: Largest compute 4801 load 0.024755 is 21.0% of average load 0.118120 LDB: Average compute 0.001721 is 1.5% of average load 0.118120 LDB: TIME 8151.6 LOAD: AVG 0.11812 MAX 0.205517 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 8151.6 LOAD: AVG 0.11812 MAX 0.205517 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: TIME 8151.6 LOAD: AVG 0.11812 MAX 0.205517 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8151.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8151.61 PRESSURE: 2704400 -341.777 55.9138 118.736 55.9127 -129.307 -21.9471 118.735 -21.9463 -30.958 GPRESSURE: 2704400 -276.937 20.2586 130.108 -37.7861 -100.104 -4.90477 102.111 -42.6978 -25.113 PRESSAVG: 2704400 -12.3076 -31.845 20.561 -31.845 28.1415 -6.49989 20.5609 -6.49988 22.1686 GPRESSAVG: 2704400 -13.982 -30.8571 18.4815 -30.7712 28.8569 -7.65252 22.1895 -5.91056 23.0762 TIMING: 2704400 CPU: 8148.39, 0.0030192/step Wall: 8148.39, 0.0030192/step, 1.92524 hours remaining, 209.968750 MB of memory in use. ENERGY: 2704400 742.5966 2036.8261 1960.0291 113.1340 -206098.7010 17641.4394 0.0000 0.0000 34131.4430 -149473.2327 298.0784 -183604.6757 -149378.9837 298.1020 -167.3474 -134.0510 558667.5719 12.6675 12.6504 PRESSURE: 2704600 134.89 -44.7021 34.7824 -44.7016 -33.3023 16.0296 34.7825 16.0298 132.14 GPRESSURE: 2704600 121.156 -55.4968 6.25287 -114.518 1.76657 44.8034 69.7036 -48.907 199.851 PRESSAVG: 2704600 44.5495 -24.303 41.2792 -24.3031 7.13553 12.8458 41.2792 12.8458 -33.7503 GPRESSAVG: 2704600 44.2167 -27.0153 40.1022 -24.8884 7.64088 14.2577 41.6976 10.2979 -33.9538 TIMING: 2704600 CPU: 8148.99, 0.00297197/step Wall: 8148.99, 0.00297197/step, 1.89496 hours remaining, 209.968750 MB of memory in use. ENERGY: 2704600 738.5558 2101.0052 1953.4727 103.8700 -206666.7213 17939.1268 0.0000 0.0000 34243.0762 -149587.6146 299.0533 -183830.6907 -149490.0379 298.7833 77.9092 107.5909 556049.0062 5.9782 5.9679 PRESSURE: 2704800 26.3632 5.82598 51.3845 5.8251 9.50087 -75.6864 51.3848 -75.6875 -89.8856 GPRESSURE: 2704800 107.774 61.7607 29.53 -23.7481 -33.8594 -11.2922 102.654 -93.2913 -22.4383 PRESSAVG: 2704800 88.2616 -9.50093 21.899 -9.5008 -7.52279 -19.1089 21.899 -19.109 -56.2852 GPRESSAVG: 2704800 89.0384 -8.76621 22.9532 -8.92655 -7.81437 -19.4238 20.2573 -18.2108 -56.9921 TIMING: 2704800 CPU: 8149.58, 0.00297391/step Wall: 8149.58, 0.00297391/step, 1.89603 hours remaining, 209.968750 MB of memory in use. ENERGY: 2704800 721.2681 2031.8050 1967.4504 106.0986 -206588.0348 17746.9949 0.0000 0.0000 34309.7517 -149704.6661 299.6356 -184014.4178 -149598.3162 297.4366 -18.0072 17.1588 555621.8847 8.1512 8.0773 PRESSURE: 2705000 266.527 -112.187 -96.4451 -112.186 55.1592 92.273 -96.4445 92.273 -94.3853 GPRESSURE: 2705000 265.52 -144.738 -169.407 -99.8257 117.554 142.558 -1.41177 37.0631 -61.9126 PRESSAVG: 2705000 49.5286 60.6516 32.2439 60.6515 -4.30959 34.8985 32.2439 34.8985 -10.3521 GPRESSAVG: 2705000 48.7143 61.0267 33.3653 60.1561 -4.58316 35.0127 34.2318 35.0494 -8.80322 TIMING: 2705000 CPU: 8150.18, 0.00298733/step Wall: 8150.18, 0.00298733/step, 1.90442 hours remaining, 209.968750 MB of memory in use. ENERGY: 2705000 752.2306 2108.5318 1948.9351 119.7099 -206645.9868 17778.4491 0.0000 0.0000 34191.2067 -149746.9237 298.6003 -183938.1304 -149645.1634 297.8794 75.7670 107.0535 554749.2061 11.6223 11.7760 PRESSURE: 2705200 310.668 -50.2839 -67.9737 -50.2839 -211.498 -4.41961 -67.9739 -4.42069 -43.3045 GPRESSURE: 2705200 316.295 -43.2293 33.2763 -168.06 -159.326 17.3072 -64.227 55.9283 -10.8966 PRESSAVG: 2705200 -7.04142 -26.4343 67.1843 -26.4342 -14.3918 -6.6083 67.1843 -6.6084 32.8487 GPRESSAVG: 2705200 -5.61728 -25.3537 64.6834 -27.773 -15.2952 -6.95538 66.5781 -5.89841 32.4283 TIMING: 2705200 CPU: 8150.78, 0.00300378/step Wall: 8150.78, 0.00300378/step, 1.91474 hours remaining, 209.968750 MB of memory in use. ENERGY: 2705200 732.6103 2109.2207 1947.9322 117.7699 -206729.4631 17961.7198 0.0000 0.0000 34218.8891 -149641.3212 298.8421 -183860.2103 -149543.8271 297.9933 18.6219 48.6908 556343.6667 3.8052 3.8386 PRESSURE: 2705400 -261.91 80.6793 9.2596 80.6793 -100.481 -188.72 9.26121 -188.72 -45.1994 GPRESSURE: 2705400 -239.297 75.7156 1.97888 52.7306 -29.1251 -108.841 60.0983 -244.9 -48.2672 PRESSAVG: 2705400 1.23687 6.50172 21.8955 6.50183 -11.5005 0.647333 21.8954 0.647327 43.5687 GPRESSAVG: 2705400 0.016046 6.50367 24.3047 7.25038 -10.6965 1.43322 22.2307 -1.04223 44.0352 TIMING: 2705400 CPU: 8151.38, 0.00299135/step Wall: 8151.38, 0.00299135/step, 1.90666 hours remaining, 209.968750 MB of memory in use. ENERGY: 2705400 752.8670 2072.5348 1963.1023 108.6259 -206558.5736 17717.9475 0.0000 0.0000 34290.3879 -149653.1082 299.4665 -183943.4961 -149560.4162 298.2963 -135.8635 -105.5630 557434.0850 11.1017 11.1182 PRESSURE: 2705600 -60.4739 98.2218 -45.408 98.2215 58.4741 -106.28 -45.4091 -106.279 113.543 GPRESSURE: 2705600 -83.8233 161.484 -14.9926 -57.9612 101.684 -175.057 -15.0829 -171.788 184.469 PRESSAVG: 2705600 1.80893 33.8381 -31.5879 33.8382 -29.4168 -50.3828 -31.5878 -50.3828 46.6653 GPRESSAVG: 2705600 2.66011 34.269 -33.2756 33.179 -30.2247 -52.9232 -32.6548 -48.5276 46.5508 TIMING: 2705600 CPU: 8151.97, 0.00298051/step Wall: 8151.97, 0.00298051/step, 1.89958 hours remaining, 209.968750 MB of memory in use. ENERGY: 2705600 794.2810 2109.7648 1967.9066 110.4766 -206686.6699 18118.1133 0.0000 0.0000 34055.8807 -149530.2470 297.4185 -183586.1277 -149436.7647 298.2250 37.1811 67.4432 557377.4715 6.3525 6.3287 PRESSURE: 2705800 9.17224 -37.4694 3.44358 -37.4693 2.94668 53.6004 3.44295 53.6013 -43.9248 GPRESSURE: 2705800 46.5941 -93.3609 -38.1991 -44.8209 2.68594 -5.37931 24.3616 92.3768 30.3976 PRESSAVG: 2705800 38.8374 9.83733 -43.7226 9.83733 -16.1407 -26.0436 -43.7226 -26.0436 -12.6256 GPRESSAVG: 2705800 38.5398 8.76531 -42.3161 8.29618 -15.5179 -23.6938 -45.3432 -27.5717 -12.7975 TIMING: 2705800 CPU: 8152.57, 0.00298973/step Wall: 8152.57, 0.00298973/step, 1.90529 hours remaining, 209.968750 MB of memory in use. ENERGY: 2705800 736.7520 2148.5306 1936.5388 124.0001 -206208.0985 17670.4780 0.0000 0.0000 34081.6110 -149510.1880 297.6432 -183591.7990 -149412.5125 298.8235 -10.6020 26.5592 556990.8358 3.3571 3.4082 PRESSURE: 2706000 -17.9768 -101.867 96.3259 -101.867 -46.0915 -130.735 96.3269 -130.736 -64.6158 GPRESSURE: 2706000 -15.5899 -43.385 128.493 -43.6224 -28.8097 -152.911 92.134 -78.0134 12.5886 PRESSAVG: 2706000 93.5743 -47.3575 22.5657 -47.3575 -62.4667 -1.02913 22.5657 -1.02922 22.6568 GPRESSAVG: 2706000 93.326 -47.8126 20.394 -44.4627 -64.0472 -2.1281 23.1618 -0.875367 23.8632 TIMING: 2706000 CPU: 8153.18, 0.0030205/step Wall: 8153.18, 0.0030205/step, 1.92473 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: 2706000 765.7803 2111.9281 1945.9571 118.9685 -206236.1607 17848.1679 0.0000 0.0000 34020.7774 -149424.5814 297.1119 -183445.3588 -149326.6392 298.2508 -42.8947 -10.6037 558340.6903 17.9215 17.7140 PRESSURE: 2706200 -64.5322 -82.5457 -67.562 -82.546 -264.55 -20.5412 -67.5626 -20.5414 -4.32299 GPRESSURE: 2706200 -12.7785 -56.9904 -66.0204 -103.107 -169.616 38.4002 -84.0872 -2.17024 -60.8997 PRESSAVG: 2706200 -10.5793 33.2496 31.8686 33.2497 -26.6915 -50.2776 31.8687 -50.2777 -10.199 GPRESSAVG: 2706200 -10.0806 33.1664 34.22 34.1014 -25.4153 -48.8396 31.6137 -51.2959 -12.356 TIMING: 2706200 CPU: 8153.78, 0.0030162/step Wall: 8153.78, 0.0030162/step, 1.92182 hours remaining, 209.968750 MB of memory in use. ENERGY: 2706200 731.8592 2124.8775 1923.6497 109.9175 -206329.1505 17673.1240 0.0000 0.0000 34358.2746 -149407.4479 300.0594 -183765.7226 -149307.9397 298.8916 -111.1350 -81.0980 559123.0569 -15.8233 -15.9506 PRESSURE: 2706400 -88.9141 -88.0473 94.8912 -88.0475 -121.31 -72.6415 94.8906 -72.6402 -101.742 GPRESSURE: 2706400 -70.9132 -86.058 117.844 -148.117 -145.723 1.61319 101.184 -141.124 -9.26522 PRESSAVG: 2706400 -5.26736 2.88075 17.7556 2.88083 -10.6417 42.3448 17.7557 42.3448 27.8383 GPRESSAVG: 2706400 -6.21916 3.49896 16.8989 1.83495 -10.5365 41.0548 18.8978 43.084 28.8765 TIMING: 2706400 CPU: 8154.38, 0.00299813/step Wall: 8154.38, 0.00299813/step, 1.91014 hours remaining, 209.968750 MB of memory in use. ENERGY: 2706400 736.9537 2125.3968 1939.5027 126.0078 -206086.8493 17632.8930 0.0000 0.0000 34134.9591 -149391.1362 298.1091 -183526.0952 -149293.5836 298.5339 -103.9885 -75.3006 557278.4445 3.9764 4.0403 PRESSURE: 2706600 -130.004 -77.4107 -117.033 -77.4098 -356.503 -104.067 -117.032 -104.067 -186.458 GPRESSURE: 2706600 -75.189 -126.443 -178.279 -40.2132 -329.427 -95.2221 -128.842 -99.5425 -178.746 PRESSAVG: 2706600 32.5934 -3.67292 1.84402 -3.673 63.7738 0.139111 1.84404 0.139135 -23.666 GPRESSAVG: 2706600 32.5422 -3.2036 1.95422 -3.89564 64.4729 0.71944 0.829183 0.235968 -24.3618 TIMING: 2706600 CPU: 8154.98, 0.00299763/step Wall: 8154.98, 0.00299763/step, 1.90966 hours remaining, 209.968750 MB of memory in use. ENERGY: 2706600 755.5395 2091.6874 1907.2899 122.4251 -206247.3378 17599.1266 0.0000 0.0000 34346.9238 -149424.3454 299.9602 -183771.2693 -149319.0126 299.1459 -224.3216 -194.4540 558787.6770 24.2337 24.2178 PRESSURE: 2706800 106.87 81.7473 39.2473 81.7478 -3.56859 -196.79 39.2467 -196.791 43.0606 GPRESSURE: 2706800 143.804 100.2 66.1989 130.636 47.0136 -125.843 -3.71681 -229.733 55.8998 PRESSAVG: 2706800 -18.5572 37.823 22.5814 37.8231 40.6746 -23.5946 22.5814 -23.5947 -8.88831 GPRESSAVG: 2706800 -17.5102 37.0793 23.9165 39.4584 39.1817 -24.1112 21.1518 -23.2575 -8.3647 TIMING: 2706800 CPU: 8155.58, 0.00298854/step Wall: 8155.58, 0.00298854/step, 1.9037 hours remaining, 209.968750 MB of memory in use. ENERGY: 2706800 729.0403 2058.7370 1884.7744 113.4366 -206118.7948 17670.7957 0.0000 0.0000 34092.5228 -149569.4879 297.7385 -183662.0107 -149477.0334 298.5640 48.7875 82.2390 556701.7547 4.4097 4.4356 PRESSURE: 2707000 15.1822 -21.9627 23.165 -21.9619 179.375 -75.1549 23.1646 -75.1535 -23.3322 GPRESSURE: 2707000 34.8791 -192.657 91.0402 44.7583 202.525 -77.0866 89.0493 -34.697 35.0601 PRESSAVG: 2707000 4.49229 14.626 29.078 14.626 20.2445 35.7519 29.078 35.7519 15.7126 GPRESSAVG: 2707000 2.70529 15.961 26.315 10.4877 21.7909 34.6162 30.398 37.3315 16.1461 TIMING: 2707000 CPU: 8156.17, 0.00297998/step Wall: 8156.17, 0.00297998/step, 1.89808 hours remaining, 209.968750 MB of memory in use. ENERGY: 2707000 725.6941 2056.4965 1927.4582 111.4326 -206778.7817 17941.5224 0.0000 0.0000 34324.1315 -149692.0463 299.7612 -184016.1777 -149602.8361 298.0691 57.0751 90.8214 556392.2821 13.4831 13.5474 PRESSURE: 2707200 -353.995 -17.2972 -99.6475 -17.2957 -11.9239 -100.308 -99.6474 -100.308 -134.955 GPRESSURE: 2707200 -348.026 -22.5402 -125.521 49.6129 29.5654 -51.6274 -66.8918 -42.7968 -75.4473 PRESSAVG: 2707200 -48.7523 -40.4556 70.2687 -40.4555 59.5692 -12.0859 70.2686 -12.086 -19.1687 GPRESSAVG: 2707200 -48.3427 -41.5641 71.7371 -37.3794 59.087 -11.4208 69.6993 -12.2076 -18.9781 TIMING: 2707200 CPU: 8156.77, 0.0029682/step Wall: 8156.77, 0.0029682/step, 1.89041 hours remaining, 209.968750 MB of memory in use. ENERGY: 2707200 774.3991 2079.0930 1973.4783 93.4031 -206538.2433 17691.1707 0.0000 0.0000 34292.4543 -149634.2448 299.4845 -183926.6991 -149538.2109 298.7526 -166.9582 -131.3025 555972.7920 -2.7840 -2.7446 PRESSURE: 2707400 69.7122 -14.2832 34.471 -14.2834 19.9609 239.554 34.4717 239.553 259.263 GPRESSURE: 2707400 103.394 -62.7335 55.4332 24.8679 80.4823 256.722 2.79054 189.674 263.595 PRESSAVG: 2707400 10.6467 -19.4589 -9.14699 -19.4589 -11.9541 8.13243 -9.14691 8.13244 42.6234 GPRESSAVG: 2707400 10.6824 -18.6496 -7.79796 -19.9523 -12.0893 8.50436 -8.02677 6.64776 42.4923 TIMING: 2707400 CPU: 8157.36, 0.00295473/step Wall: 8157.36, 0.00295473/step, 1.88167 hours remaining, 209.968750 MB of memory in use. ENERGY: 2707400 712.2087 2064.4082 1942.8452 105.2331 -206790.4452 17858.0670 0.0000 0.0000 34460.1948 -149647.4882 300.9495 -184107.6830 -149554.2639 298.4574 116.3121 149.1570 554987.2955 13.7720 13.6951 PRESSURE: 2707600 -28.5211 11.9106 56.1691 11.911 -107.157 -82.5983 56.169 -82.5986 181.585 GPRESSURE: 2707600 22.0586 -16.2983 39.5524 50.1442 -110.905 -84.02 52.3306 -48.7113 236.65 PRESSAVG: 2707600 27.305 -28.1006 -44.9014 -28.1005 -24.9496 -1.5808 -44.9013 -1.58061 21.5065 GPRESSAVG: 2707600 28.1959 -28.1069 -47.3259 -28.3756 -26.6215 -2.03817 -43.5282 0.443732 22.2096 TIMING: 2707600 CPU: 8157.95, 0.00298674/step Wall: 8157.95, 0.00298674/step, 1.90189 hours remaining, 209.968750 MB of memory in use. ENERGY: 2707600 754.8812 2041.3103 1935.4593 114.4748 -206317.3182 17784.7720 0.0000 0.0000 34177.3971 -149509.0234 298.4797 -183686.4205 -149402.6991 299.0085 15.3024 49.2680 556002.8890 7.9540 7.9280 PRESSURE: 2707800 94.6098 -129.623 1.75925 -129.624 -114.37 81.6621 1.75911 81.6616 -14.3118 GPRESSURE: 2707800 111.077 -99.7646 35.6807 -142.97 -20.0098 96.8715 -0.879675 95.3174 -29.7919 PRESSAVG: 2707800 0.862921 -11.1353 20.6074 -11.1353 21.756 11.7943 20.6074 11.7942 24.5597 GPRESSAVG: 2707800 1.20265 -11.0507 20.9961 -11.3267 21.5999 12.0573 19.9875 10.7339 24.6779 TIMING: 2707800 CPU: 8158.55, 0.00296685/step Wall: 8158.55, 0.00296685/step, 1.88906 hours remaining, 209.968750 MB of memory in use. ENERGY: 2707800 737.6222 2007.2455 1952.6145 120.2223 -206566.9193 18043.3153 0.0000 0.0000 34316.8256 -149389.0739 299.6974 -183705.8995 -149290.0186 299.1890 -11.3572 20.4252 556712.3508 15.7262 15.8268 PRESSURE: 2708000 -38.5271 -26.2484 -47.0067 -26.2473 57.018 87.442 -47.0041 87.4431 170.847 GPRESSURE: 2708000 -0.281405 -110.884 78.5046 -16.3775 105.651 79.677 -196.854 135.663 188.227 PRESSAVG: 2708000 6.73343 -27.6574 13.323 -27.6574 -35.321 9.78442 13.323 9.78444 28.1896 GPRESSAVG: 2708000 7.64444 -27.3993 13.5668 -29.1004 -35.7241 9.61533 10.6432 8.84512 27.5101 TIMING: 2708000 CPU: 8159.14, 0.00296906/step Wall: 8159.14, 0.00296906/step, 1.8903 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: 2708000 759.5433 2072.5718 1944.0419 119.6434 -206857.7493 18074.0204 0.0000 0.0000 34361.7201 -149526.2086 300.0894 -183887.9286 -149430.5078 299.1437 63.1125 97.8656 555884.6168 -0.1326 -0.1898 PRESSURE: 2708200 -124.631 27.3975 30.5519 27.3983 -249.708 -58.4569 30.5528 -58.457 -236.148 GPRESSURE: 2708200 -82.3137 -79.2174 -90.9894 78.4934 -221.316 -71.7511 156.297 -38.6684 -217.783 PRESSAVG: 2708200 54.3363 0.255366 -32.3748 0.255383 -46.633 -4.15952 -32.3748 -4.15946 -25.2492 GPRESSAVG: 2708200 52.8072 -0.673733 -35.6066 2.81557 -44.9128 -5.52488 -29.6385 -3.42972 -25.9321 TIMING: 2708200 CPU: 8159.74, 0.00297124/step Wall: 8159.74, 0.00297124/step, 1.89153 hours remaining, 209.968750 MB of memory in use. ENERGY: 2708200 801.8846 2056.9761 1929.8838 109.9152 -206358.4916 17703.7604 0.0000 0.0000 34151.7572 -149604.3144 298.2558 -183756.0716 -149507.3402 298.0149 -203.4957 -173.8044 558751.4020 -5.8486 -6.0125 LDB: ============= START OF LOAD BALANCING ============== 8163.25 LDB: ============== END OF LOAD BALANCING =============== 8163.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8163.25 LDB: ============= START OF LOAD BALANCING ============== 8163.55 LDB: Largest compute 4801 load 0.025437 is 21.5% of average load 0.118080 LDB: Average compute 0.001735 is 1.5% of average load 0.118080 LDB: TIME 8163.56 LOAD: AVG 0.11808 MAX 0.212102 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.996 MB LDB: TIME 8163.56 LOAD: AVG 0.11808 MAX 0.212102 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.066 MB LDB: TIME 8163.56 LOAD: AVG 0.11808 MAX 0.212102 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.066 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8163.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8163.56 PRESSURE: 2708400 -132.774 -66.9401 -88.4998 -66.9393 68.9027 30.7969 -88.5006 30.7965 -44.493 GPRESSURE: 2708400 -91.4281 -37.5669 -7.11403 -42.8862 69.136 117.021 -70.5406 -18.6517 8.13219 PRESSAVG: 2708400 84.5627 -17.2777 38.9433 -17.2778 -27.6652 -26.7792 38.9433 -26.7793 -124.944 GPRESSAVG: 2708400 85.3983 -16.1541 42.6264 -18.6649 -28.6438 -23.6307 38.0882 -29.3458 -124.406 TIMING: 2708400 CPU: 8160.35, 0.00305794/step Wall: 8160.35, 0.00305794/step, 1.94655 hours remaining, 210.089844 MB of memory in use. ENERGY: 2708400 706.5926 2074.2760 1926.5718 113.0052 -206509.5892 17651.3227 0.0000 0.0000 34342.1787 -149695.6423 299.9188 -184037.8210 -149592.9849 298.7694 -36.1216 -4.7200 556937.7358 -22.6820 -22.5505 PRESSURE: 2708600 97.5493 -61.5022 4.76053 -61.501 -68.0429 96.7603 4.76113 96.7602 -365.714 GPRESSURE: 2708600 117.646 -35.2204 52.4712 -100.761 -40.9036 57.4732 -74.9053 58.4237 -333.847 PRESSAVG: 2708600 13.402 9.34757 54.1307 9.34747 45.8177 25.1291 54.1306 25.1291 -39.6859 GPRESSAVG: 2708600 13.1641 9.25463 54.429 9.69483 46.4649 23.3492 53.4757 26.8901 -39.5582 TIMING: 2708600 CPU: 8160.94, 0.0029768/step Wall: 8160.94, 0.0029768/step, 1.89473 hours remaining, 210.292969 MB of memory in use. ENERGY: 2708600 728.5593 2056.5562 1936.0948 118.0053 -206356.1043 17717.7792 0.0000 0.0000 34112.0904 -149687.0192 297.9094 -183799.1096 -149593.6088 298.6993 -112.0692 -85.7014 557879.8097 6.5113 6.6903 PRESSURE: 2708800 43.1057 38.7892 -58.3169 38.789 182.437 -6.0716 -58.3171 -6.07209 -205.937 GPRESSURE: 2708800 51.7294 91.3284 -67.1621 18.1471 217.281 -59.3116 -16.2813 -32.8691 -159.549 PRESSAVG: 2708800 -18.5357 -26.9595 17.5774 -26.9596 46.4179 -25.0616 17.5775 -25.0617 -33.2015 GPRESSAVG: 2708800 -17.8282 -28.1153 15.8087 -26.7222 45.7196 -26.8917 18.0277 -24.7571 -33.2471 TIMING: 2708800 CPU: 8161.54, 0.00297182/step Wall: 8161.54, 0.00297182/step, 1.8914 hours remaining, 210.351562 MB of memory in use. ENERGY: 2708800 742.5075 2107.4406 1910.2364 115.4941 -206991.3542 18092.5345 0.0000 0.0000 34267.7495 -149755.3915 299.2688 -184023.1410 -149670.4719 298.3215 6.5352 36.4870 557055.7510 -1.7731 -1.7852 PRESSURE: 2709000 103.208 37.3232 -54.9522 37.3242 198.979 -207.67 -54.9527 -207.67 -26.603 GPRESSURE: 2709000 170.382 41.955 2.93959 65.3406 241.079 -236.629 -176.361 -210.502 -26.1425 PRESSAVG: 2709000 -31.2216 -79.0503 0.314697 -79.0504 36.9897 -61.992 0.314666 -61.992 54.052 GPRESSAVG: 2709000 -31.5637 -79.1078 2.03712 -77.7566 38.299 -60.0693 -0.834595 -63.3707 53.7792 TIMING: 2709000 CPU: 8162.13, 0.00297483/step Wall: 8162.13, 0.00297483/step, 1.89315 hours remaining, 210.351562 MB of memory in use. ENERGY: 2709000 715.3407 2072.4722 1942.1870 120.2229 -206686.4105 17951.3745 0.0000 0.0000 34125.5208 -149759.2925 298.0267 -183884.8133 -149665.3376 298.3924 91.8612 128.4395 555159.9751 19.9400 20.1715 PRESSURE: 2709200 61.4798 -126.46 108.822 -126.46 188.567 297.476 108.822 297.476 -160.693 GPRESSURE: 2709200 46.4605 -159.568 124.679 -61.2085 275.24 270.188 4.41051 292.183 -138.015 PRESSAVG: 2709200 52.2523 -29.6162 -16.1064 -29.6161 62.8103 -41.3502 -16.1063 -41.3501 -63.2572 GPRESSAVG: 2709200 51.9696 -28.8064 -15.1302 -31.8403 62.7719 -40.5277 -17.7066 -40.4101 -63.7345 TIMING: 2709200 CPU: 8162.73, 0.00298454/step Wall: 8162.73, 0.00298454/step, 1.89916 hours remaining, 210.351562 MB of memory in use. ENERGY: 2709200 732.1621 2087.2250 1924.5727 114.6653 -206919.2870 18105.6039 0.0000 0.0000 34269.8104 -149685.2477 299.2868 -183955.0580 -149588.7338 297.5640 29.7846 61.2286 556419.5207 17.2685 17.0023 PRESSURE: 2709400 -16.0668 0.0853469 155.234 0.0853126 -117.055 75.389 155.234 75.3901 -270.993 GPRESSURE: 2709400 12.833 91.5584 117.522 -71.2207 -110.889 94.6144 148.872 70.3816 -202.764 PRESSAVG: 2709400 5.12858 -7.82771 -28.1206 -7.82774 20.1414 27.7426 -28.1207 27.7427 -13.9126 GPRESSAVG: 2709400 4.92802 -7.56556 -28.0305 -8.99667 19.4177 26.5731 -28.8132 28.7808 -13.5171 TIMING: 2709400 CPU: 8163.33, 0.00299866/step Wall: 8163.33, 0.00299866/step, 1.90798 hours remaining, 210.351562 MB of memory in use. ENERGY: 2709400 716.6789 2101.8689 1943.3143 131.1312 -206097.5987 17565.2287 0.0000 0.0000 34170.2941 -149469.0825 298.4177 -183639.3766 -149366.9931 299.0038 -134.7049 -100.2731 556927.8283 3.7858 3.6096 PRESSURE: 2709600 -129.704 101.458 -44.2789 101.457 -191.379 -27.6683 -44.2782 -27.6687 -226.439 GPRESSURE: 2709600 -91.5947 59.2242 -58.0242 191.041 -93.8075 26.1384 82.3822 -51.0816 -252.404 PRESSAVG: 2709600 -2.95797 -27.1343 22.2521 -27.1343 2.23862 49.9658 22.2521 49.9657 3.68498 GPRESSAVG: 2709600 -3.31776 -29.2181 21.3502 -23.8608 2.14387 51.2451 24.3938 49.9189 3.89675 TIMING: 2709600 CPU: 8163.92, 0.00296821/step Wall: 8163.92, 0.00296821/step, 1.88844 hours remaining, 210.351562 MB of memory in use. ENERGY: 2709600 756.5410 2012.6870 1958.5591 104.6763 -205883.9859 17512.7804 0.0000 0.0000 34010.6528 -149528.0892 297.0235 -183538.7421 -149432.7916 298.5026 -182.5073 -145.9353 558481.7064 0.9885 0.9076 PRESSURE: 2709800 -102.781 97.8502 -31.2876 97.8508 34.5176 70.9297 -31.2878 70.9286 18.004 GPRESSURE: 2709800 -85.6809 18.2565 -69.4954 80.1886 105.244 -0.617372 -44.327 105.506 21.7721 PRESSAVG: 2709800 57.3305 12.2469 24.0988 12.247 -5.37465 15.3408 24.0988 15.3408 -44.5107 GPRESSAVG: 2709800 56.2717 16.3125 24.3845 11.352 -5.30179 13.616 23.3595 15.065 -44.0278 TIMING: 2709800 CPU: 8164.52, 0.00299288/step Wall: 8164.52, 0.00299288/step, 1.90397 hours remaining, 210.351562 MB of memory in use. ENERGY: 2709800 721.3308 2060.9817 1948.8562 110.6900 -205904.7270 17798.1738 0.0000 0.0000 33933.1672 -149331.5272 296.3468 -183264.6944 -149237.1969 298.5389 -16.7532 13.7783 559368.6434 2.4817 2.3140 PRESSURE: 2710000 75.7259 -20.9788 1.7251 -20.9781 -446.1 69.6973 1.72504 69.6967 122.686 GPRESSURE: 2710000 92.9219 -41.6872 -75.0006 -18.9083 -366.425 54.5627 66.0111 57.5457 124.081 PRESSAVG: 2710000 2.25264 3.15455 -7.85459 3.15453 22.4615 27.1569 -7.85459 27.1568 -3.69711 GPRESSAVG: 2710000 3.00249 2.50715 -7.83422 3.60519 23.1121 27.274 -6.14233 27.2485 -4.05341 TIMING: 2710000 CPU: 8165.12, 0.00297536/step Wall: 8165.12, 0.00297536/step, 1.89266 hours remaining, 210.351562 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: 2710000 759.7158 2073.3129 1910.8753 114.6980 -206236.3405 17835.2551 0.0000 0.0000 34103.4551 -149439.0283 297.8340 -183542.4834 -149341.6522 298.7508 -82.5628 -49.8073 559631.3970 7.0057 7.3537 PRESSURE: 2710200 17.676 -62.4967 -11.2704 -62.4955 -171.907 158.577 -11.2704 158.577 -149.449 GPRESSURE: 2710200 -11.6666 -19.7294 41.3511 -34.452 -94.7704 200.453 -55.7289 170.506 -88.7128 PRESSAVG: 2710200 46.5928 19.5183 -5.82583 19.5184 -23.2197 17.5731 -5.82579 17.5731 -39.3162 GPRESSAVG: 2710200 46.7589 18.0432 -5.25267 18.7217 -24.1399 18.4501 -7.40298 16.7056 -38.6037 TIMING: 2710200 CPU: 8165.71, 0.00298113/step Wall: 8165.71, 0.00298114/step, 1.89617 hours remaining, 210.351562 MB of memory in use. ENERGY: 2710200 748.0424 2097.1674 1955.7503 109.5772 -206200.5502 17687.0715 0.0000 0.0000 34134.9704 -149467.9710 298.1092 -183602.9415 -149382.8870 298.6128 -101.2267 -65.0499 556310.0601 -5.3144 -5.3282 PRESSURE: 2710400 -238.43 29.463 -81.4902 29.4626 -6.04149 -105.932 -81.4895 -105.932 -118.131 GPRESSURE: 2710400 -223.742 24.3461 -62.0105 -96.3303 29.0305 -112.914 -72.3571 -138.757 -65.6099 PRESSAVG: 2710400 -38.3174 -13.5459 -16.7674 -13.5459 75.6044 -14.0658 -16.7674 -14.0657 -7.11569 GPRESSAVG: 2710400 -38.4952 -13.6247 -16.4903 -14.9595 75.8825 -11.994 -17.7922 -13.0745 -6.95205 TIMING: 2710400 CPU: 8166.31, 0.00299662/step Wall: 8166.31, 0.00299662/step, 1.90585 hours remaining, 210.351562 MB of memory in use. ENERGY: 2710400 749.5365 2044.4405 1952.5466 109.4220 -205732.3295 17628.9631 0.0000 0.0000 33994.6442 -149252.7766 296.8837 -183247.4207 -149160.6690 299.4213 -120.8678 -86.7739 558053.3927 10.0571 10.1451 PRESSURE: 2710600 314.165 -121.666 -30.0745 -121.665 129.747 -85.7516 -30.0732 -85.7503 -7.57485 GPRESSURE: 2710600 329.587 -66.1386 -115.706 -113.083 172.214 -6.6627 -43.7537 -78.9609 30.0562 PRESSAVG: 2710600 -44.8843 -33.7988 5.65587 -33.7988 8.57545 -67.1876 5.65582 -67.1876 -12.9427 GPRESSAVG: 2710600 -46.1186 -34.3262 3.46487 -30.6685 9.77636 -70.2255 8.15695 -66.0143 -12.7159 TIMING: 2710600 CPU: 8166.91, 0.00297978/step Wall: 8166.91, 0.00297978/step, 1.89497 hours remaining, 210.351562 MB of memory in use. ENERGY: 2710600 714.3766 2079.2144 1937.4238 109.6028 -206261.8371 17968.5080 0.0000 0.0000 34365.4277 -149087.2840 300.1218 -183452.7117 -148993.4321 298.9567 145.4456 177.2860 556296.0925 -16.4172 -16.3527 PRESSURE: 2710800 129.994 43.5455 -38.2153 43.5458 148.062 -31.1992 -38.215 -31.1969 41.1527 GPRESSURE: 2710800 147.579 97.0081 25.0285 38.6261 145.321 -3.81701 -18.0982 -12.9527 134.248 PRESSAVG: 2710800 22.0982 -11.5003 -36.4299 -11.5003 50.6732 -15.9977 -36.43 -15.9976 -47.9763 GPRESSAVG: 2710800 23.4911 -10.1044 -32.7802 -14.5461 49.7881 -14.8018 -38.4509 -17.3142 -48.2643 TIMING: 2710800 CPU: 8167.5, 0.00296979/step Wall: 8167.5, 0.00296979/step, 1.88845 hours remaining, 210.351562 MB of memory in use. ENERGY: 2710800 751.8456 2095.5402 1956.5545 104.1987 -206201.2202 17835.4974 0.0000 0.0000 34210.5355 -149247.0482 298.7691 -183457.5837 -149148.0902 300.1333 106.4032 142.3826 555939.5953 8.2650 8.3383 PRESSURE: 2711000 21.223 28.0289 38.3572 28.0282 -85.784 -14.5677 38.3572 -14.5674 -305.314 GPRESSURE: 2711000 26.3972 41.4763 57.2651 -24.3387 -56.9437 58.8083 1.42491 -59.863 -230.832 PRESSAVG: 2711000 2.07353 6.59822 -10.9192 6.59813 -7.93082 -23.1473 -10.9191 -23.1474 -9.36317 GPRESSAVG: 2711000 1.3883 6.73776 -12.3849 7.84496 -8.66914 -22.8715 -11.2011 -24.6646 -7.71958 TIMING: 2711000 CPU: 8168.1, 0.00297861/step Wall: 8168.1, 0.00297861/step, 1.8939 hours remaining, 210.351562 MB of memory in use. ENERGY: 2711000 715.5744 2120.4579 1943.2291 98.6141 -206049.4153 17712.4350 0.0000 0.0000 34287.6707 -149171.4341 299.4428 -183459.1048 -149068.1966 299.5648 -123.2916 -87.1261 557686.9771 -5.0735 -5.0001 PRESSURE: 2711200 -72.2695 41.95 48.3883 41.9497 -86.8895 -68.7216 48.3873 -68.7209 208.3 GPRESSURE: 2711200 8.6513 63.633 15.0109 88.9319 -66.5054 -93.5368 70.3676 -17.6164 202.667 PRESSAVG: 2711200 2.4686 -13.5939 100.641 -13.5939 5.15257 -58.3935 100.641 -58.3935 -17.0909 GPRESSAVG: 2711200 4.19848 -15.2895 99.8608 -12.137 4.92521 -59.8339 102.687 -56.9253 -18.6569 TIMING: 2711200 CPU: 8168.69, 0.00297889/step Wall: 8168.69, 0.00297889/step, 1.89391 hours remaining, 210.351562 MB of memory in use. ENERGY: 2711200 736.3183 2127.2014 1964.3687 113.2374 -206248.4334 17855.2698 0.0000 0.0000 34474.1017 -148977.9362 301.0709 -183452.0379 -148879.1441 300.1178 16.3805 48.2709 556361.1316 -3.1566 -3.1777 PRESSURE: 2711400 164.774 -100.724 50.5451 -100.724 171.459 -105.867 50.5452 -105.867 24.7076 GPRESSURE: 2711400 223.566 -87.5659 154.596 -98.8205 254.712 -72.7315 1.89723 -96.6919 -21.1905 PRESSAVG: 2711400 -33.6462 -11.6651 13.342 -11.6652 34.843 4.2452 13.342 4.24536 14.6208 GPRESSAVG: 2711400 -34.6855 -10.0683 14.866 -12.5439 34.939 4.27064 12.2026 5.36248 15.404 TIMING: 2711400 CPU: 8169.29, 0.00298901/step Wall: 8169.29, 0.00298901/step, 1.90018 hours remaining, 210.351562 MB of memory in use. ENERGY: 2711400 714.2359 2093.9561 1950.2134 118.5415 -205997.9966 17847.5760 0.0000 0.0000 34238.8763 -149034.5973 299.0166 -183273.4736 -148933.5893 300.1455 120.3134 152.3625 556641.9419 5.2725 5.2192 PRESSURE: 2711600 -15.3852 15.7972 -133.132 15.7971 -41.7047 21.2263 -133.132 21.2275 -40.4641 GPRESSURE: 2711600 -17.3555 -9.02318 -121.747 53.8951 2.29581 -88.001 -193.382 33.05 16.2115 PRESSAVG: 2711600 22.6084 1.91977 -29.497 1.91972 65.9649 21.0474 -29.4971 21.0472 -71.9542 GPRESSAVG: 2711600 22.0923 1.34701 -30.4956 0.402444 67.5246 21.1333 -30.0666 19.9949 -72.7117 TIMING: 2711600 CPU: 8169.89, 0.00297663/step Wall: 8169.89, 0.00297663/step, 1.89214 hours remaining, 210.351562 MB of memory in use. ENERGY: 2711600 797.6158 2048.0884 1929.5968 114.2894 -206088.4313 17790.0594 0.0000 0.0000 34266.9658 -149141.8158 299.2619 -183408.7816 -149050.1707 300.0426 -32.5180 0.3839 558292.4725 5.5397 5.6351 PRESSURE: 2711800 7.09081 -66.3152 -21.1731 -66.3159 -182.576 35.1738 -21.1731 35.1753 -169.148 GPRESSURE: 2711800 29.0832 -143.742 13.4278 -21.5956 -142.931 43.1976 -26.0734 7.40513 -138.464 PRESSAVG: 2711800 25.0213 53.9314 34.3632 53.9314 31.6977 4.49229 34.3631 4.49213 -55.6447 GPRESSAVG: 2711800 25.0064 55.1645 33.2033 54.3683 30.7088 6.58 35.8034 5.39238 -54.8856 TIMING: 2711800 CPU: 8170.49, 0.00300377/step Wall: 8170.49, 0.00300377/step, 1.90923 hours remaining, 210.351562 MB of memory in use. ENERGY: 2711800 719.2764 2054.4551 1933.9319 103.7920 -206155.9736 17756.4075 0.0000 0.0000 34366.4672 -149221.6435 300.1309 -183588.1107 -149119.4156 299.8918 -114.8776 -84.1042 557827.0306 0.3581 0.2765 PRESSURE: 2712000 -72.966 1.02459 109.421 1.02517 -53.9281 125.573 109.42 125.573 -235.987 GPRESSURE: 2712000 17.3362 -21.1141 49.3312 57.9835 -33.6986 185.467 140.118 104.403 -250.627 PRESSAVG: 2712000 28.3552 -14.594 -31.4911 -14.5939 -2.6578 -59.1834 -31.491 -59.1834 3.95156 GPRESSAVG: 2712000 29.2534 -17.6777 -29.6824 -12.4164 -2.93194 -61.9204 -33.3597 -60.8527 3.01913 TIMING: 2712000 CPU: 8171.09, 0.00301582/step Wall: 8171.09, 0.00301582/step, 1.91672 hours remaining, 210.351562 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: 2712000 757.1100 2047.3458 1955.9955 107.9867 -206268.4710 17833.4330 0.0000 0.0000 34155.1340 -149411.4660 298.2853 -183566.6000 -149319.7126 298.5692 -120.9604 -88.9963 557665.1174 9.8830 9.7802 PRESSURE: 2712200 -4.8657 -59.9392 183.122 -59.9388 197.439 -148.075 183.122 -148.075 212.422 GPRESSURE: 2712200 30.7989 -45.7094 117.559 -7.75631 190.912 -93.7681 142.486 -184.31 273.144 PRESSAVG: 2712200 -58.3644 -41.5209 8.42132 -41.5209 17.8005 19.2646 8.42137 19.2646 14.2822 GPRESSAVG: 2712200 -59.6893 -38.109 6.30652 -44.6765 18.1649 21.7765 11.2601 19.8154 15.5088 TIMING: 2712200 CPU: 8171.69, 0.00299702/step Wall: 8171.69, 0.00299702/step, 1.90461 hours remaining, 210.417969 MB of memory in use. ENERGY: 2712200 741.0082 2139.8303 1915.4095 110.1236 -206605.0355 18052.0650 0.0000 0.0000 34336.0348 -149310.5640 299.8651 -183646.5988 -149213.7093 298.4693 134.9985 164.9518 557260.0976 -8.7605 -8.6719 LDB: ============= START OF LOAD BALANCING ============== 8175.21 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8175.21 LDB: =============== DONE WITH MIGRATION ================ 8175.21 LDB: ============= START OF LOAD BALANCING ============== 8175.51 LDB: Largest compute 4801 load 0.024770 is 21.0% of average load 0.118127 LDB: Average compute 0.001727 is 1.5% of average load 0.118127 LDB: TIME 8175.51 LOAD: AVG 0.118127 MAX 0.210072 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.441 MB LDB: TIME 8175.51 LOAD: AVG 0.118127 MAX 0.210072 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.523 MB LDB: TIME 8175.51 LOAD: AVG 0.118127 MAX 0.210072 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.523 MB LDB: ============== END OF LOAD BALANCING =============== 8175.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8175.52 PRESSURE: 2712400 2.26554 165.308 90.408 165.309 82.2828 146.255 90.4089 146.256 144.578 GPRESSURE: 2712400 2.21722 235.066 47.0969 151.603 112.163 108.773 141.315 71.9211 229.006 PRESSAVG: 2712400 35.8987 12.3412 25.9106 12.3412 41.3463 8.12391 25.9105 8.12402 -30.6729 GPRESSAVG: 2712400 36.7531 12.08 26.054 13.4859 40.6397 5.51374 26.3312 7.54223 -31.3435 TIMING: 2712400 CPU: 8172.3, 0.00305493/step Wall: 8172.3, 0.00305493/step, 1.94124 hours remaining, 209.457031 MB of memory in use. ENERGY: 2712400 709.6362 2060.3045 1923.4812 101.0954 -206230.6745 17829.3028 0.0000 0.0000 34290.6979 -149316.1565 299.4692 -183606.8545 -149219.6201 299.2249 76.3754 114.4618 556907.1953 15.5240 15.3498 PRESSURE: 2712600 15.7482 -30.3143 149.487 -30.3134 -244.394 111.485 149.488 111.484 -280.341 GPRESSURE: 2712600 48.6139 -31.2299 150.389 -40.3608 -209.696 84.5263 170.065 7.1823 -234.867 PRESSAVG: 2712600 26.3732 4.62434 14.2027 4.62433 -8.99301 -74.277 14.2028 -74.277 2.73279 GPRESSAVG: 2712600 25.4846 4.04667 15.4192 6.16288 -8.24209 -72.7287 12.4752 -73.7057 2.8824 TIMING: 2712600 CPU: 8172.9, 0.00301664/step Wall: 8172.9, 0.00301664/step, 1.91674 hours remaining, 209.917969 MB of memory in use. ENERGY: 2712600 719.5315 2079.7503 1945.7822 110.1264 -205889.8088 17665.7263 0.0000 0.0000 34138.0068 -149230.8853 298.1357 -183368.8921 -149126.8943 299.2293 -169.6623 -131.9831 558424.2188 6.7043 6.7083 PRESSURE: 2712800 -169.515 157.711 69.4632 157.712 -73.7212 234.562 69.4609 234.562 85.5042 GPRESSURE: 2712800 -96.6042 46.1996 108.559 32.5096 -86.7868 248.104 56.7446 237.814 113.584 PRESSAVG: 2712800 -10.954 39.1699 -44.1842 39.1699 -51.0934 8.53161 -44.1842 8.53158 65.7303 GPRESSAVG: 2712800 -10.4697 39.2247 -44.4796 36.4067 -51.7103 9.71121 -43.1091 8.43261 66.1429 TIMING: 2712800 CPU: 8173.5, 0.00300187/step Wall: 8173.5, 0.00300187/step, 1.90719 hours remaining, 209.917969 MB of memory in use. ENERGY: 2712800 756.5372 2122.8307 1934.7775 112.9162 -206075.5092 17727.6281 0.0000 0.0000 34190.6094 -149230.2101 298.5951 -183420.8195 -149130.9699 299.1289 -52.5775 -23.2689 557996.8436 1.2276 1.3210 PRESSURE: 2713000 273.903 -83.2229 23.4646 -83.2226 100.207 114.332 23.4646 114.333 -214.243 GPRESSURE: 2713000 321.015 0.619405 90.9815 -128.323 113.089 87.827 8.18967 151.161 -181.284 PRESSAVG: 2713000 81.6812 37.6373 -16.9343 37.6374 -81.8394 47.9488 -16.9342 47.9488 -4.95502 GPRESSAVG: 2713000 80.8703 36.2783 -16.0159 39.2836 -80.9553 46.0228 -17.8222 49.4299 -4.77456 TIMING: 2713000 CPU: 8174.11, 0.00303517/step Wall: 8174.11, 0.00303517/step, 1.92817 hours remaining, 209.917969 MB of memory in use. ENERGY: 2713000 749.9536 2051.9314 1939.6813 113.5940 -206466.0993 17870.2500 0.0000 0.0000 34217.2497 -149523.4394 298.8278 -183740.6891 -149425.5894 299.1962 53.2889 84.2731 556735.9324 -1.7044 -1.6199 PRESSURE: 2713200 -158.702 -55.2926 142.367 -55.2923 -56.0339 -14.2471 142.367 -14.246 -343.824 GPRESSURE: 2713200 -85.496 -40.2298 194.545 -48.8785 -65.9959 24.3389 109.342 19.6112 -309.682 PRESSAVG: 2713200 -85.183 83.9401 7.15984 83.9401 91.1742 11.4306 7.15986 11.4306 13.6137 GPRESSAVG: 2713200 -83.718 85.9723 5.9586 83.1846 90.4887 11.9502 7.8185 9.26462 13.0228 TIMING: 2713200 CPU: 8174.71, 0.00301897/step Wall: 8174.71, 0.00301897/step, 1.91772 hours remaining, 209.917969 MB of memory in use. ENERGY: 2713200 791.5084 2112.7313 1933.8461 118.7249 -206498.3999 17739.3477 0.0000 0.0000 34192.5062 -149609.7353 298.6117 -183802.2415 -149511.6658 299.0209 -186.1869 -153.7246 556376.0957 6.5350 6.5978 PRESSURE: 2713400 -160.935 0.419096 97.0925 0.420551 -154.324 -260.053 97.0944 -260.052 196.46 GPRESSURE: 2713400 -152.947 85.3315 65.5958 -49.4633 -100.291 -175.36 136.881 -246.748 233.429 PRESSAVG: 2713400 16.5508 14.0024 11.5872 14.0023 -10.6109 -35.1546 11.5872 -35.1545 19.362 GPRESSAVG: 2713400 15.9111 12.8766 12.4656 14.5018 -10.1577 -35.9942 11.2859 -35.0379 19.975 TIMING: 2713400 CPU: 8175.31, 0.00298736/step Wall: 8175.31, 0.00298736/step, 1.89747 hours remaining, 209.917969 MB of memory in use. ENERGY: 2713400 772.5704 2054.3684 1940.4065 118.2090 -206312.5144 17870.7732 0.0000 0.0000 34193.0281 -149363.1588 298.6162 -183556.1869 -149267.3530 298.3586 -39.5999 -6.6031 555694.5155 8.4339 8.5761 PRESSURE: 2713600 15.9628 -147.118 80.4207 -147.118 -60.0182 -0.341373 80.4204 -0.339541 -169.029 GPRESSURE: 2713600 -59.0804 -159.93 36.3993 -156.946 -0.43086 -42.7576 104.838 89.0647 -73.6286 PRESSAVG: 2713600 29.4743 -20.4916 57.8563 -20.4915 17.7877 15.7598 57.8563 15.7598 -36.6457 GPRESSAVG: 2713600 29.2394 -20.1473 57.8789 -21.8698 17.335 16.1595 57.9356 16.5055 -36.0529 TIMING: 2713600 CPU: 8175.91, 0.00297892/step Wall: 8175.91, 0.00297892/step, 1.89194 hours remaining, 209.917969 MB of memory in use. ENERGY: 2713600 745.9851 2100.1346 1941.1014 110.1000 -206435.9957 17823.3332 0.0000 0.0000 34193.3687 -149521.9727 298.6192 -183715.3414 -149422.3846 298.7336 -71.0280 -44.3800 555657.6898 3.5387 3.5071 PRESSURE: 2713800 372.75 14.0342 -26.8157 14.0342 128.045 158.243 -26.8149 158.243 189.919 GPRESSURE: 2713800 466.429 16.0667 -28.9853 -26.9427 120.764 188.707 -38.6337 186.805 205.752 PRESSAVG: 2713800 34.7885 -3.04991 -7.69054 -3.04975 -3.92157 -3.29496 -7.69041 -3.29496 0.632859 GPRESSAVG: 2713800 34.1221 -2.59735 -7.35386 -3.21039 -3.07593 -1.62008 -8.78893 -5.25819 0.0610929 TIMING: 2713800 CPU: 8176.51, 0.00300147/step Wall: 8176.51, 0.00300147/step, 1.9061 hours remaining, 209.917969 MB of memory in use. ENERGY: 2713800 720.6695 2093.0342 1932.4920 113.9089 -206841.7248 18169.0797 0.0000 0.0000 34205.5383 -149607.0022 298.7255 -183812.5405 -149510.9608 298.5377 230.2379 264.3150 555745.3385 10.4999 10.3691 PRESSURE: 2714000 215.679 73.9143 93.5114 73.9165 101.823 -26.3778 93.5115 -26.3779 215.517 GPRESSURE: 2714000 229.541 -24.908 38.5174 75.7344 130.444 -42.8374 207.277 -51.4234 270.01 PRESSAVG: 2714000 13.2381 45.5187 -38.0613 45.5187 -38.8563 -7.84551 -38.0612 -7.84551 47.1353 GPRESSAVG: 2714000 13.3635 43.9376 -39.6323 47.1364 -39.444 -9.38337 -36.4818 -5.77098 47.0822 TIMING: 2714000 CPU: 8177.11, 0.00300783/step Wall: 8177.11, 0.00300783/step, 1.90997 hours remaining, 209.917969 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: 2714000 756.0653 2073.8997 1936.7667 119.6469 -206563.2033 18047.0293 0.0000 0.0000 34185.9288 -149443.8667 298.5542 -183629.7955 -149342.9643 298.1771 177.6726 209.9984 556302.5076 7.1723 7.0006 PRESSURE: 2714200 207.613 -101.742 -54.776 -101.742 -87.7155 31.6976 -54.7768 31.6982 -62.8694 GPRESSURE: 2714200 163.665 -67.8247 -23.1156 -107.696 -5.79336 56.6457 -144.204 -8.78936 -11.0688 PRESSAVG: 2714200 34.373 -6.86591 -19.9813 -6.86589 -11.3988 2.79759 -19.9813 2.79751 -13.6838 GPRESSAVG: 2714200 34.5136 -5.17258 -17.4782 -6.37976 -11.4312 2.40843 -22.4107 2.68109 -14.3567 TIMING: 2714200 CPU: 8177.71, 0.00298937/step Wall: 8177.71, 0.00298937/step, 1.89808 hours remaining, 209.917969 MB of memory in use. ENERGY: 2714200 744.6104 2115.2402 1940.7110 102.6685 -206352.2466 17801.3136 0.0000 0.0000 34270.6895 -149377.0135 299.2945 -183647.7030 -149281.2011 299.2226 19.0095 48.9344 556784.6834 3.0968 2.9086 PRESSURE: 2714400 -265.848 279.672 -39.1218 279.673 -128.722 21.2688 -39.1214 21.2705 -117.044 GPRESSURE: 2714400 -223.573 239.341 -40.8804 251.83 -92.1369 -39.451 26.4955 115.619 -102.515 PRESSAVG: 2714400 -48.6073 10.5347 7.85735 10.5347 12.3668 16.1185 7.85734 16.1187 21.0027 GPRESSAVG: 2714400 -49.5994 10.4053 3.23353 9.90521 12.283 16.587 10.633 16.8425 21.6363 TIMING: 2714400 CPU: 8178.31, 0.00300057/step Wall: 8178.31, 0.00300057/step, 1.90503 hours remaining, 209.917969 MB of memory in use. ENERGY: 2714400 739.2576 2046.0690 1919.1192 116.2266 -206039.8475 17610.7654 0.0000 0.0000 34226.0868 -149382.3228 298.9049 -183608.4096 -149281.8902 298.7776 -170.5377 -139.4082 556779.4415 -5.0793 -5.2267 PRESSURE: 2714600 40.4613 -1.17291 80.4545 -1.17405 68.5543 -5.83633 80.4549 -5.83589 -127.202 GPRESSURE: 2714600 79.2555 -76.8738 115.713 112.973 89.8445 -96.2015 39.0289 67.3099 -78.8989 PRESSAVG: 2714600 29.0066 20.7735 79.084 20.7735 4.8179 -37.0822 79.084 -37.0822 -49.3694 GPRESSAVG: 2714600 29.9173 20.1233 82.6043 21.8029 5.56673 -35.2684 76.5595 -39.0223 -50.856 TIMING: 2714600 CPU: 8178.91, 0.00302462/step Wall: 8178.91, 0.00302462/step, 1.92013 hours remaining, 209.917969 MB of memory in use. ENERGY: 2714600 764.1405 2134.4792 1950.0102 113.5370 -206528.9180 17887.8013 0.0000 0.0000 34294.1093 -149384.8405 299.4990 -183678.9499 -149295.7408 298.8750 -6.0621 30.0670 557261.4248 -5.1816 -5.1240 PRESSURE: 2714800 -122.523 60.9469 15.9678 60.9462 -84.8213 70.9588 15.9684 70.9587 211.594 GPRESSURE: 2714800 -55.1534 98.7277 -25.6498 145.856 -64.379 92.295 18.3327 40.8508 230.875 PRESSAVG: 2714800 -46.11 -37.9793 11.9192 -37.9793 -14.1226 25.6556 11.9191 25.6557 80.6735 GPRESSAVG: 2714800 -45.6335 -37.4915 10.6959 -38.5607 -14.6116 24.0483 13.7219 26.7818 80.5677 TIMING: 2714800 CPU: 8179.52, 0.00303734/step Wall: 8179.52, 0.00303734/step, 1.92804 hours remaining, 209.917969 MB of memory in use. ENERGY: 2714800 741.9784 2056.2211 1946.5768 104.2645 -206163.4358 17813.4329 0.0000 0.0000 34169.8435 -149331.1186 298.4137 -183500.9622 -149222.3000 298.5873 1.4167 37.1143 558304.0049 6.8136 6.7742 PRESSURE: 2715000 24.3342 59.8817 74.6421 59.8804 90.1111 40.5906 74.6419 40.5919 -90.6764 GPRESSURE: 2715000 106.615 117.657 2.83029 -55.2587 114.74 27.5442 149.368 -15.0208 -82.4803 PRESSAVG: 2715000 -29.4422 41.6943 69.4269 41.6944 5.96552 -42.5361 69.427 -42.536 17.0291 GPRESSAVG: 2715000 -29.9349 38.8106 70.0049 41.6687 5.99576 -42.891 68.8732 -42.5075 18.1979 TIMING: 2715000 CPU: 8180.12, 0.00299112/step Wall: 8180.12, 0.00299112/step, 1.89853 hours remaining, 209.917969 MB of memory in use. ENERGY: 2715000 749.4863 2144.0296 1930.8518 114.8336 -206294.4839 17938.4418 0.0000 0.0000 34213.3638 -149203.4771 298.7938 -183416.8408 -149113.9230 298.6303 7.9230 46.2916 559169.6066 -2.1492 -1.9137 PRESSURE: 2715200 18.9991 136.274 -139.815 136.275 242.479 -118.28 -139.815 -118.282 113.178 GPRESSURE: 2715200 12.5529 101.06 -142.876 107.404 297.02 -122.443 -160.634 -118.865 166.63 PRESSAVG: 2715200 -11.4975 -7.10587 -10.8898 -7.10581 -13.0962 17.306 -10.8898 17.3059 30.0272 GPRESSAVG: 2715200 -12.2146 -4.56492 -12.0982 -8.18942 -13.0876 15.5388 -11.3285 17.7847 30.8593 TIMING: 2715200 CPU: 8180.72, 0.00302766/step Wall: 8180.72, 0.00302766/step, 1.92156 hours remaining, 209.917969 MB of memory in use. ENERGY: 2715200 738.3373 2094.7682 1931.4348 124.3343 -206286.3717 18096.0623 0.0000 0.0000 34210.1804 -149091.2545 298.7660 -183301.4349 -149003.4131 300.4397 124.8855 158.7345 558243.4440 1.8111 1.8524 PRESSURE: 2715400 4.35225 19.1975 -123.181 19.1983 -51.9665 -121.713 -123.181 -121.713 67.1775 GPRESSURE: 2715400 65.0492 92.1515 -72.5146 -73.7565 -42.6901 -20.8037 -111.841 -32.8034 94.3327 PRESSAVG: 2715400 14.9646 -24.2897 -24.1521 -24.2896 -5.41128 7.60275 -24.1521 7.60272 -15.4409 GPRESSAVG: 2715400 14.6143 -22.8334 -23.3132 -26.4826 -5.26922 10.7112 -23.7071 7.67386 -15.2071 TIMING: 2715400 CPU: 8181.33, 0.00302881/step Wall: 8181.33, 0.00302881/step, 1.92211 hours remaining, 209.917969 MB of memory in use. ENERGY: 2715400 751.6729 2139.8964 1955.2417 115.1505 -205658.7402 17560.0936 0.0000 0.0000 34182.8385 -148953.8465 298.5272 -183136.6850 -148854.9454 299.9885 6.5211 38.8973 557236.6142 -1.9625 -1.9540 PRESSURE: 2715600 136.013 -62.0793 -57.4655 -62.0786 -22.1027 102.475 -57.4654 102.475 153.856 GPRESSURE: 2715600 148.591 -98.3811 27.8579 -104.535 6.43467 99.2169 -78.2659 112.473 217.347 PRESSAVG: 2715600 -15.2241 -54.4716 -25.3183 -54.4715 6.14874 -5.21633 -25.3182 -5.21627 27.8651 GPRESSAVG: 2715600 -14.0416 -56.1369 -26.0086 -51.7307 5.68563 -5.10741 -23.9633 -5.72212 27.4147 TIMING: 2715600 CPU: 8181.94, 0.00305965/step Wall: 8181.94, 0.00305965/step, 1.94152 hours remaining, 209.988281 MB of memory in use. ENERGY: 2715600 777.2617 2086.1820 1945.5995 116.2267 -206217.4690 17965.6448 0.0000 0.0000 34440.1222 -148886.4322 300.7742 -183326.5544 -148785.0718 299.9780 89.2554 124.1242 557308.9217 6.2633 6.3529 PRESSURE: 2715800 -198.681 1.02023 53.5659 1.02085 1.34807 -108.608 53.5649 -108.607 12.8956 GPRESSURE: 2715800 -110.777 13.118 20.4272 -53.4637 -42.4967 -54.7225 83.7825 -123.217 54.1781 PRESSAVG: 2715800 -5.44544 -49.4028 -25.342 -49.4028 -46.4367 -2.04858 -25.3421 -2.04866 74.1255 GPRESSAVG: 2715800 -5.21927 -47.5897 -25.12 -50.8256 -47.0598 -4.1351 -27.0813 0.529028 74.1846 TIMING: 2715800 CPU: 8182.55, 0.00302157/step Wall: 8182.55, 0.00302157/step, 1.91718 hours remaining, 209.988281 MB of memory in use. ENERGY: 2715800 749.7291 2127.5379 1929.5039 109.9710 -205787.4653 17614.6633 0.0000 0.0000 34354.6533 -148901.4067 300.0277 -183256.0601 -148801.1766 300.4022 -61.4792 -33.0320 558068.6024 7.4144 7.3019 PRESSURE: 2716000 -61.0849 -69.9118 41.281 -69.9122 86.7447 -7.91334 41.282 -7.91169 50.9131 GPRESSURE: 2716000 -40.4606 -111.54 -21.6549 -72.2889 141.788 -16.6902 55.8101 -34.2653 76.586 PRESSAVG: 2716000 -34.5278 -78.9505 36.0387 -78.9506 31.1837 -8.21635 36.0387 -8.21645 -7.4807 GPRESSAVG: 2716000 -34.6458 -79.5922 36.5141 -78.811 32.1503 -9.56518 36.3199 -10.744 -7.91217 TIMING: 2716000 CPU: 8183.15, 0.00301963/step Wall: 8183.15, 0.00301963/step, 1.91579 hours remaining, 209.988281 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: 2716000 736.1782 2038.3356 1932.7339 114.8353 -205814.3721 17708.8254 0.0000 0.0000 34308.6332 -148974.8306 299.6258 -183283.4637 -148875.3740 299.9950 25.5243 59.3046 556866.9750 -3.6082 -3.4692 PRESSURE: 2716200 189.651 -87.8034 127.175 -87.8052 -32.5891 -53.1269 127.174 -53.1292 62.0183 GPRESSURE: 2716200 240.38 -96.8286 158.424 -26.2354 -8.13243 -173.521 76.5676 11.7722 94.2212 PRESSAVG: 2716200 9.20862 -11.7025 70.013 -11.7025 54.6565 -51.9743 70.013 -51.9744 -63.1606 GPRESSAVG: 2716200 9.70422 -11.4601 70.0445 -9.92619 54.4612 -50.8612 68.4763 -51.9487 -63.7884 TIMING: 2716200 CPU: 8183.76, 0.00303543/step Wall: 8183.76, 0.00303543/step, 1.92564 hours remaining, 209.988281 MB of memory in use. ENERGY: 2716200 728.5123 2098.4886 1934.3570 118.1632 -205890.7708 17774.6098 0.0000 0.0000 34188.2088 -149048.4311 298.5741 -183236.6399 -148951.3732 299.7377 73.0268 108.8228 556168.3208 0.2348 0.1257 LDB: ============= START OF LOAD BALANCING ============== 8187.28 LDB: ============== END OF LOAD BALANCING =============== 8187.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8187.28 LDB: ============= START OF LOAD BALANCING ============== 8187.58 LDB: Largest compute 4801 load 0.026035 is 22.1% of average load 0.118057 LDB: Average compute 0.001727 is 1.5% of average load 0.118057 LDB: TIME 8187.58 LOAD: AVG 0.118057 MAX 0.210811 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.449 MB LDB: TIME 8187.58 LOAD: AVG 0.118057 MAX 0.210811 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.652 MB LDB: TIME 8187.58 LOAD: AVG 0.118057 MAX 0.210811 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.652 MB LDB: ============== END OF LOAD BALANCING =============== 8187.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8187.59 PRESSURE: 2716400 -33.5627 -11.2634 147.762 -11.2622 -13.6485 -32.8407 147.763 -32.8407 233.568 GPRESSURE: 2716400 8.08517 26.6087 212.272 -32.4687 24.9864 -70.1357 171.392 -30.0637 250.646 PRESSAVG: 2716400 -24.7906 -33.8788 44.1511 -33.8789 -13.1051 -26.3014 44.1512 -26.3015 49.2455 GPRESSAVG: 2716400 -24.7807 -34.8834 44.143 -33.5882 -13.2801 -27.4546 45.6922 -25.2878 49.3438 TIMING: 2716400 CPU: 8184.37, 0.00307512/step Wall: 8184.37, 0.00307512/step, 1.95065 hours remaining, 209.421875 MB of memory in use. ENERGY: 2716400 770.5555 2115.1240 1913.3321 106.6098 -206317.2781 17941.5029 0.0000 0.0000 34432.9587 -149037.1951 300.7116 -183470.1538 -148940.2761 299.9390 62.1189 94.5724 558425.5791 3.7833 3.7610 PRESSURE: 2716600 -37.092 -71.1904 68.6343 -71.1911 -56.5339 -83.0357 68.6339 -83.0337 184.898 GPRESSURE: 2716600 -49.5831 -76.2566 46.0559 -109.83 18.6799 -102.587 45.8739 -148.739 208.671 PRESSAVG: 2716600 -71.9314 -21.2982 32.6246 -21.2981 4.89279 -42.3031 32.6246 -42.3032 61.5189 GPRESSAVG: 2716600 -71.6398 -20.5936 30.2594 -23.2801 5.45523 -41.4645 33.7166 -42.7276 60.6791 TIMING: 2716600 CPU: 8184.97, 0.00298444/step Wall: 8184.97, 0.00298444/step, 1.89296 hours remaining, 209.492188 MB of memory in use. ENERGY: 2716600 729.6439 2113.0968 1921.3805 110.4273 -206330.6241 17932.9301 0.0000 0.0000 34339.3486 -149183.7969 299.8941 -183523.1455 -149086.2238 299.5768 30.4240 59.2559 558182.2431 -1.8399 -1.8351 PRESSURE: 2716800 266.505 -136.217 -43.5604 -136.216 36.7647 130.952 -43.5618 130.951 3.00601 GPRESSURE: 2716800 248.789 -105.505 -75.9441 -157.078 64.3865 152.816 -10.8611 168.918 105.7 PRESSAVG: 2716800 -21.0155 12.6225 -7.49332 12.6225 28.0557 -27.4803 -7.49341 -27.4804 3.22874 GPRESSAVG: 2716800 -21.7139 11.7746 -5.9723 15.6908 27.8804 -27.8619 -9.72961 -27.7602 4.71386 TIMING: 2716800 CPU: 8185.57, 0.00298635/step Wall: 8185.57, 0.00298635/step, 1.89401 hours remaining, 209.550781 MB of memory in use. ENERGY: 2716800 725.9714 2096.0347 1925.5388 112.4191 -206318.1679 18088.2220 0.0000 0.0000 34166.8770 -149203.1049 298.3878 -183369.9819 -149108.5128 299.2880 102.0918 139.6252 558642.8934 3.4230 3.6268 PRESSURE: 2717000 67.5758 -157.508 -6.76516 -157.51 -115.321 -63.8478 -6.76594 -63.8487 -91.0821 GPRESSURE: 2717000 101.192 -115.836 -0.1498 -135.18 -87.2678 -68.1839 41.0529 -73.7365 -57.8075 PRESSAVG: 2717000 26.1696 9.2191 -15.8995 9.21905 -17.4261 -7.48814 -15.8995 -7.48807 -34.5885 GPRESSAVG: 2717000 27.5648 12.4119 -15.0396 6.29431 -17.3192 -6.73043 -14.8009 -7.25036 -35.9122 TIMING: 2717000 CPU: 8186.17, 0.00299931/step Wall: 8186.17, 0.00299931/step, 1.90206 hours remaining, 209.550781 MB of memory in use. ENERGY: 2717000 770.6643 2060.0353 1948.8073 108.9782 -205981.2913 17660.9425 0.0000 0.0000 34303.5733 -149128.2904 299.5816 -183431.8638 -149037.7635 299.1837 -46.2759 -14.6279 556453.9476 -8.6150 -8.5555 PRESSURE: 2717200 337.769 -98.6852 -174.451 -98.6853 -93.618 -55.3208 -174.449 -55.3208 60.5148 GPRESSURE: 2717200 368.903 -125.223 -210.2 -152.808 -20.8991 -84.8816 -128.15 -35.2791 57.5358 PRESSAVG: 2717200 65.9391 22.109 49.6158 22.1089 -22.521 -14.7707 49.6159 -14.7708 -34.9606 GPRESSAVG: 2717200 65.294 20.9815 49.4842 24.0358 -23.9174 -13.5792 51.214 -15.3185 -33.6018 TIMING: 2717200 CPU: 8186.77, 0.00300743/step Wall: 8186.77, 0.00300743/step, 1.90704 hours remaining, 209.550781 MB of memory in use. ENERGY: 2717200 740.1948 2072.1476 1943.4108 121.4715 -206567.0597 18045.3810 0.0000 0.0000 34351.7453 -149292.7086 300.0023 -183644.4539 -149202.5019 298.6274 101.5554 135.1801 555220.7380 2.8192 2.5916 PRESSURE: 2717400 73.5747 66.4219 -86.8303 66.4207 224.849 193.572 -86.8306 193.571 63.2875 GPRESSURE: 2717400 41.388 108.649 -198.957 79.0817 268.135 277.656 -15.4814 168.773 159.96 PRESSAVG: 2717400 -20.9682 2.56525 57.3952 2.56529 20.8235 7.46109 57.3952 7.46106 62.4912 GPRESSAVG: 2717400 -21.9113 1.92703 56.2888 2.37809 22.3432 7.02345 55.5679 7.68109 62.0685 TIMING: 2717400 CPU: 8187.37, 0.00299765/step Wall: 8187.37, 0.00299765/step, 1.90067 hours remaining, 209.550781 MB of memory in use. ENERGY: 2717400 737.0279 2065.6667 1907.8940 115.4558 -206264.8317 17819.7561 0.0000 0.0000 34307.0909 -149311.9404 299.6124 -183619.0313 -149211.6523 299.1716 120.5705 156.4942 556161.7999 20.7822 20.8335 PRESSURE: 2717600 -171.19 20.7327 45.7843 20.7308 -100.01 89.2337 45.7859 89.2334 287.404 GPRESSURE: 2717600 -86.8942 -49.476 56.7519 -6.39661 -30.506 78.7724 12.1543 98.5486 244.727 PRESSAVG: 2717600 -33.2503 -47.9864 -8.42898 -47.9865 21.3873 27.2156 -8.42902 27.2155 0.923903 GPRESSAVG: 2717600 -32.3196 -49.9678 -7.90196 -47.6289 20.946 27.023 -5.90499 27.6297 0.339224 TIMING: 2717600 CPU: 8187.97, 0.00300423/step Wall: 8187.97, 0.00300423/step, 1.90468 hours remaining, 209.550781 MB of memory in use. ENERGY: 2717600 748.9266 2047.0317 1930.1684 108.5498 -206403.6674 17877.3292 0.0000 0.0000 34337.4195 -149354.2423 299.8772 -183691.6618 -149259.4770 298.7481 5.4012 42.4424 558368.2578 -3.6463 -3.6781 PRESSURE: 2717800 -95.8636 -21.2996 -144.625 -21.2999 -187.808 -16.9164 -144.626 -16.9155 -52.9918 GPRESSURE: 2717800 -20.186 21.7963 -172.013 -39.1742 -182.532 13.694 -96.3091 -26.3366 -38.944 PRESSAVG: 2717800 1.86987 -2.2588 26.6595 -2.25886 -27.5652 71.323 26.6596 71.323 11.1883 GPRESSAVG: 2717800 2.52729 1.3888 26.9439 -5.3669 -28.3684 70.5968 25.4566 70.2214 11.22 TIMING: 2717800 CPU: 8188.57, 0.00301782/step Wall: 8188.57, 0.00301782/step, 1.91313 hours remaining, 209.550781 MB of memory in use. ENERGY: 2717800 751.8535 2079.1410 1927.6300 118.1718 -205744.6770 17407.4461 0.0000 0.0000 34206.9855 -149253.4492 298.7381 -183460.4347 -149157.7406 298.7711 -112.2212 -80.5541 558306.6167 -4.8357 -4.8737 PRESSURE: 2718000 -59.8417 -47.7269 100.478 -47.7261 -216.691 -117.261 100.478 -117.259 175.392 GPRESSURE: 2718000 -27.5795 -4.08203 80.6749 -66.1766 -200.571 -110.549 90.6408 -47.1142 223.539 PRESSAVG: 2718000 1.8304 -44.0898 4.63431 -44.0899 -63.7557 -28.567 4.63433 -28.5669 10.5497 GPRESSAVG: 2718000 1.20941 -45.9076 2.649 -42.8428 -62.4858 -28.6214 7.16664 -27.1572 10.2282 TIMING: 2718000 CPU: 8189.17, 0.00299151/step Wall: 8189.17, 0.00299151/step, 1.89628 hours remaining, 209.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2718000 745.8962 2050.5127 1927.8164 127.9103 -206282.0809 17830.3797 0.0000 0.0000 34318.0857 -149281.4800 299.7084 -183599.5656 -149183.5423 299.5066 -33.7137 -1.5372 557293.9168 -17.1252 -17.0160 PRESSURE: 2718200 -57.2357 7.53978 79.6661 7.53925 150.67 94.8979 79.6662 94.8994 -229.522 GPRESSURE: 2718200 -41.1995 40.277 63.8581 20.0023 222.845 98.4191 147.026 53.7105 -225.289 PRESSAVG: 2718200 39.9671 -23.6145 20.9718 -23.6145 -26.7157 -6.07237 20.9717 -6.07237 28.4024 GPRESSAVG: 2718200 39.6019 -22.7298 22.0568 -25.4503 -26.8828 -7.87307 19.9161 -4.78326 28.4179 TIMING: 2718200 CPU: 8189.77, 0.00298399/step Wall: 8189.77, 0.00298399/step, 1.89135 hours remaining, 209.550781 MB of memory in use. ENERGY: 2718200 748.3511 2059.7352 1947.0750 104.2628 -206133.9463 17795.9344 0.0000 0.0000 34207.6571 -149270.9307 298.7440 -183478.5878 -149175.3940 300.0473 -45.3627 -14.5480 557199.8068 13.8846 13.7123 PRESSURE: 2718400 -162.712 -192.211 -5.39349 -192.211 -341.828 55.8075 -5.39285 55.8083 -132.794 GPRESSURE: 2718400 -80.3482 -173.979 23.9939 -191.238 -313.589 91.0842 -59.4887 133.087 -135.532 PRESSAVG: 2718400 -3.34764 -17.954 50.5084 -17.9539 -0.397219 1.25932 50.5085 1.25933 -1.21347 GPRESSAVG: 2718400 -2.11538 -19.5627 51.7396 -15.9293 -1.11243 4.27167 48.2571 0.608159 -2.03255 TIMING: 2718400 CPU: 8190.37, 0.00300168/step Wall: 8190.37, 0.00300168/step, 1.9024 hours remaining, 209.550781 MB of memory in use. ENERGY: 2718400 747.7763 2072.9299 1912.0264 115.6513 -205950.5787 17543.8888 0.0000 0.0000 34253.4292 -149304.8769 299.1437 -183558.3060 -149202.9837 299.1740 -212.4447 -176.4899 557475.5768 -1.6528 -1.7535 PRESSURE: 2718600 11.5255 126.33 83.2379 126.329 239.488 -112.754 83.2407 -112.754 -49.3991 GPRESSURE: 2718600 1.96463 109.8 48.0874 100.671 294.754 -89.5181 140.259 -94.2433 6.2793 PRESSAVG: 2718600 43.1935 18.1312 47.2839 18.1311 -55.3657 -8.2133 47.2839 -8.21347 -4.26926 GPRESSAVG: 2718600 42.0387 19.4196 46.4576 18.2371 -56.2818 -8.91364 47.7002 -9.1965 -2.57917 TIMING: 2718600 CPU: 8190.97, 0.0029994/step Wall: 8190.97, 0.0029994/step, 1.90079 hours remaining, 209.562500 MB of memory in use. ENERGY: 2718600 796.7439 2084.4518 1930.6044 110.4248 -206677.1768 18112.8172 0.0000 0.0000 34285.4698 -149356.6649 299.4235 -183642.1347 -149262.1945 299.3596 67.2047 100.9992 556745.2018 -5.4805 -5.6074 PRESSURE: 2718800 142.433 111 44.702 111.001 -91.9394 -49.1936 44.7012 -49.1938 -109.982 GPRESSURE: 2718800 139.271 110.407 -19.787 97.2492 -27.3781 -18.0366 1.36305 -128.688 -80.7349 PRESSAVG: 2718800 74.1427 41.6575 -17.8014 41.6575 -14.5457 24.4757 -17.8013 24.4758 -50.0314 GPRESSAVG: 2718800 75.0145 38.6282 -18.958 40.2944 -14.5552 24.4144 -15.222 24.7586 -51.1587 TIMING: 2718800 CPU: 8191.56, 0.00297278/step Wall: 8191.56, 0.00297278/step, 1.88375 hours remaining, 209.562500 MB of memory in use. ENERGY: 2718800 755.5343 2095.0908 1963.4106 99.1851 -206358.5049 17774.4489 0.0000 0.0000 34248.3647 -149422.4706 299.0995 -183670.8352 -149327.8671 299.5117 -19.8293 10.3860 556643.4277 3.1885 3.1002 PRESSURE: 2719000 -100.606 -12.0832 68.6319 -12.0833 61.4155 -43.5674 68.6334 -43.5688 -19.4546 GPRESSURE: 2719000 -16.1695 -52.1165 140.496 42.7381 91.5586 -74.5634 -11.8429 -28.4392 -46.4858 PRESSAVG: 2719000 49.9724 -9.41534 8.00714 -9.41531 -45.7999 57.1214 8.00712 57.1214 12.728 GPRESSAVG: 2719000 48.8446 -5.91267 8.65488 -8.00961 -44.6851 58.9374 4.47443 56.6823 13.098 TIMING: 2719000 CPU: 8192.15, 0.00295983/step Wall: 8192.15, 0.00295983/step, 1.87538 hours remaining, 209.562500 MB of memory in use. ENERGY: 2719000 766.6236 2123.9561 1917.3310 104.1779 -206798.5285 18026.9431 0.0000 0.0000 34315.3528 -149544.1440 299.6845 -183859.4968 -149445.2892 299.1048 -19.5482 9.6344 557749.1730 5.6335 5.7525 PRESSURE: 2719200 1.3957 42.2442 -31.9095 42.2444 -81.4608 56.2231 -31.9108 56.2233 259.046 GPRESSURE: 2719200 42.4024 68.9512 -84.5414 12.4134 -22.946 66.5037 47.6574 116.618 263.221 PRESSAVG: 2719200 35.6397 -6.24036 -9.19614 -6.24028 23.5497 21.8722 -9.19615 21.8723 -60.2694 GPRESSAVG: 2719200 37.7506 -9.46689 -7.38336 -5.61323 23.4887 20.0562 -8.18425 22.8573 -62.4476 TIMING: 2719200 CPU: 8192.75, 0.00300399/step Wall: 8192.75, 0.00300399/step, 1.90319 hours remaining, 209.562500 MB of memory in use. ENERGY: 2719200 742.9578 2144.9361 1897.9780 124.2413 -206869.8414 18106.9855 0.0000 0.0000 34148.5369 -149704.2059 298.2277 -183852.7428 -149608.0453 297.7786 59.6603 94.2258 557479.8489 -0.3600 -0.4028 PRESSURE: 2719400 -42.9203 139.904 127.355 139.904 -13.1435 -17.2936 127.355 -17.2942 149.07 GPRESSURE: 2719400 -11.8347 120.875 183.901 157.112 12.8728 -84.0679 117.398 -0.650099 175.695 PRESSAVG: 2719400 9.80426 39.8406 14.1333 39.8406 2.83601 -35.2351 14.1334 -35.2352 -27.5315 GPRESSAVG: 2719400 9.78609 42.821 12.8229 37.0883 3.0998 -35.8337 15.7396 -35.292 -28.0172 TIMING: 2719400 CPU: 8193.35, 0.00300414/step Wall: 8193.35, 0.00300414/step, 1.90312 hours remaining, 209.562500 MB of memory in use. ENERGY: 2719400 742.2202 2079.7315 1927.0172 115.7668 -206812.7074 17997.4923 0.0000 0.0000 34289.3570 -149661.1223 299.4575 -183950.4794 -149569.2445 298.0685 31.0021 58.9110 557572.5113 -4.9637 -5.0438 PRESSURE: 2719600 302.875 -15.4869 -1.23458 -15.4874 403.894 -33.434 -1.23515 -33.4345 -26.4372 GPRESSURE: 2719600 287.61 -20.8709 12.3413 -87.8905 425.922 -116.55 -36.5519 65.9307 59.7447 PRESSAVG: 2719600 13.3354 -23.9774 -36.6735 -23.9774 15.7617 43.1729 -36.6734 43.173 -26.565 GPRESSAVG: 2719600 12.4281 -25.3553 -38.4105 -22.8865 14.398 43.5931 -34.8666 42.804 -24.6718 TIMING: 2719600 CPU: 8193.95, 0.00299463/step Wall: 8193.95, 0.00299463/step, 1.89693 hours remaining, 209.562500 MB of memory in use. ENERGY: 2719600 740.4106 2134.3335 1920.6788 110.2038 -207020.9377 18224.8778 0.0000 0.0000 34193.4610 -149696.9721 298.6200 -183890.4331 -149599.1506 297.7426 226.7770 257.7588 556085.5607 0.8440 0.7181 PRESSURE: 2719800 -12.9117 -5.66431 105.112 -5.66478 -22.7714 -21.2956 105.113 -21.2962 50.528 GPRESSURE: 2719800 3.50782 4.81095 37.4277 -33.4672 22.7588 35.9289 81.6734 22.3278 77.126 PRESSAVG: 2719800 -0.439639 -45.1523 74.4584 -45.1523 30.8442 5.65242 74.4583 5.65255 -5.87169 GPRESSAVG: 2719800 0.258164 -44.7067 76.8483 -46.8239 30.7106 4.74781 71.1527 7.04763 -6.04674 TIMING: 2719800 CPU: 8194.55, 0.00296422/step Wall: 8194.55, 0.00296422/step, 1.8775 hours remaining, 209.562500 MB of memory in use. ENERGY: 2719800 733.9432 2171.6662 1921.6816 123.3504 -206431.8649 17629.0831 0.0000 0.0000 34231.5687 -149620.5718 298.9528 -183852.1404 -149525.4721 298.2503 4.9483 34.4642 556629.6442 8.1776 8.3073 PRESSURE: 2720000 166.899 -167.985 326.191 -167.985 -121.05 -35.6297 326.191 -35.6307 -16.0569 GPRESSURE: 2720000 196.799 -181.61 342.621 -129.71 -83.8483 -44.9181 311.597 -27.3267 2.98951 PRESSAVG: 2720000 23.598 -26.8796 79.9915 -26.8796 0.580604 -4.84546 79.9914 -4.84555 -41.623 GPRESSAVG: 2720000 24.0654 -25.6822 79.4664 -25.7193 0.964194 -2.87643 82.1267 -5.90445 -42.5007 TIMING: 2720000 CPU: 8195.14, 0.00296232/step Wall: 8195.14, 0.00296232/step, 1.87613 hours remaining, 209.562500 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: 2720000 770.4172 2066.0176 1918.8848 102.7549 -206473.4623 17890.7208 0.0000 0.0000 34276.3330 -149448.3339 299.3437 -183724.6669 -149349.9951 298.2815 9.9307 38.6467 557555.1780 -5.8148 -5.8237 PRESSURE: 2720200 -17.046 -11.6499 -6.10831 -11.6485 54.0827 -114.708 -6.10815 -114.707 45.886 GPRESSURE: 2720200 -6.71413 76.5046 24.193 -3.61853 139.814 -155.052 -36.8042 -209.25 51.4596 PRESSAVG: 2720200 7.51006 -29.9247 68.152 -29.9247 9.91338 -95.7701 68.152 -95.7701 -25.1569 GPRESSAVG: 2720200 6.14947 -30.3979 70.1574 -30.4004 10.7657 -97.5406 66.2335 -98.2266 -24.654 TIMING: 2720200 CPU: 8195.73, 0.00297854/step Wall: 8195.73, 0.00297854/step, 1.88624 hours remaining, 209.562500 MB of memory in use. ENERGY: 2720200 757.6805 2066.5590 1946.1330 121.7690 -206494.5021 17977.1775 0.0000 0.0000 34247.1585 -149378.0246 299.0890 -183625.1832 -149282.4471 299.1596 27.6409 61.5198 556759.0715 -2.5778 -2.5796 LDB: ============= START OF LOAD BALANCING ============== 8199.25 LDB: ============== END OF LOAD BALANCING =============== 8199.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8199.25 LDB: ============= START OF LOAD BALANCING ============== 8199.55 LDB: Largest compute 4801 load 0.025275 is 21.4% of average load 0.118120 LDB: Average compute 0.001730 is 1.5% of average load 0.118120 LDB: TIME 8199.55 LOAD: AVG 0.11812 MAX 0.207259 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.965 MB LDB: TIME 8199.55 LOAD: AVG 0.11812 MAX 0.207259 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.172 MB LDB: TIME 8199.55 LOAD: AVG 0.11812 MAX 0.207259 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.172 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8199.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8199.56 PRESSURE: 2720400 121.528 0.81878 89.1417 0.818741 241.085 4.238 89.1427 4.23762 -34.8262 GPRESSURE: 2720400 122.566 77.6647 121.369 -68.2574 352.659 -74.8021 95.0991 55.7535 -56.3178 PRESSAVG: 2720400 -22.2121 -21.9634 74.3615 -21.9634 -24.3867 -27.888 74.3617 -27.8879 54.1467 GPRESSAVG: 2720400 -20.6677 -23.8371 72.3356 -21.5351 -25.8548 -28.1695 72.4218 -26.3259 54.3222 TIMING: 2720400 CPU: 8196.34, 0.00304197/step Wall: 8196.34, 0.00304197/step, 1.92624 hours remaining, 207.714844 MB of memory in use. ENERGY: 2720400 741.7220 2111.1576 1953.8052 115.9166 -206609.7749 18133.5871 0.0000 0.0000 34105.2429 -149448.3435 297.8496 -183553.5863 -149351.0807 299.5297 109.2622 139.6358 557611.7034 2.5160 2.5999 PRESSURE: 2720600 35.0548 190.266 94.325 190.266 -8.60841 -54.7141 94.3252 -54.7155 57.5736 GPRESSURE: 2720600 53.07 56.7276 28.3956 210.463 25.4465 -58.2419 180.417 -7.03335 90.6895 PRESSAVG: 2720600 19.0516 14.6854 49.6889 14.6853 1.70555 -46.5344 49.689 -46.5344 -25.074 GPRESSAVG: 2720600 18.0982 15.5105 50.5934 15.7851 3.62337 -45.3591 54.1083 -45.485 -26.1463 TIMING: 2720600 CPU: 8196.94, 0.00299014/step Wall: 8196.94, 0.00299014/step, 1.89325 hours remaining, 207.917969 MB of memory in use. ENERGY: 2720600 730.5660 2136.7494 1933.7682 106.2527 -206143.6100 17795.2879 0.0000 0.0000 34108.5446 -149332.4412 297.8784 -183440.9859 -149237.9118 299.2731 28.0067 56.4020 557983.2963 -1.4390 -1.4749 PRESSURE: 2720800 84.6228 12.2837 130.683 12.2839 76.0862 -123.687 130.684 -123.686 -79.9053 GPRESSURE: 2720800 113.915 -20.1229 55.4962 21.4628 71.6939 -182.463 152.018 -67.8209 -4.87829 PRESSAVG: 2720800 -11.9796 1.91542 78.6782 1.91536 35.9124 -50.0881 78.6782 -50.0881 2.37126 GPRESSAVG: 2720800 -11.9834 2.24036 78.3952 1.24481 35.2163 -51.8474 77.9712 -51.8928 3.15516 TIMING: 2720800 CPU: 8197.53, 0.00296719/step Wall: 8197.53, 0.00296719/step, 1.87856 hours remaining, 207.917969 MB of memory in use. ENERGY: 2720800 783.3412 2075.6265 1911.1355 120.1624 -206724.6361 18022.7077 0.0000 0.0000 34452.4705 -149359.1924 300.8820 -183811.6629 -149267.9909 299.4651 26.9346 60.2434 556853.9602 8.7680 8.7960 PRESSURE: 2721000 -55.3356 96.3121 30.3607 96.3125 37.1226 25.6364 30.3605 25.6376 -25.1388 GPRESSURE: 2721000 -20.3152 88.989 7.74829 61.6065 98.6074 -8.89285 34.8111 124.474 -8.6432 PRESSAVG: 2721000 -31.3223 17.0572 5.97132 17.0572 19.0592 -24.2633 5.97135 -24.2633 -20.964 GPRESSAVG: 2721000 -31.7374 17.7856 6.06512 14.4793 19.3177 -22.7913 5.93308 -23.8323 -20.381 TIMING: 2721000 CPU: 8198.13, 0.00297322/step Wall: 8198.13, 0.00297322/step, 1.88221 hours remaining, 207.917969 MB of memory in use. ENERGY: 2721000 749.7110 2119.8512 1960.7858 120.5786 -206495.3135 17897.8849 0.0000 0.0000 34077.7575 -149568.7446 297.6095 -183646.5020 -149474.3724 299.4164 -14.4506 23.2163 556289.7294 -11.0757 -10.9336 PRESSURE: 2721200 94.4249 10.9503 87.0254 10.9513 -79.1703 67.2958 87.0255 67.2966 138.349 GPRESSURE: 2721200 134.406 -47.2294 127.648 32.771 -73.9483 83.5086 69.0339 -43.3388 174.902 PRESSAVG: 2721200 -39.1646 -25.2985 -6.04434 -25.2986 12.4289 -50.7652 -6.04439 -50.7652 -13.0439 GPRESSAVG: 2721200 -38.7088 -26.369 -3.5764 -21.8536 12.6453 -50.179 -9.24814 -50.4033 -14.0158 TIMING: 2721200 CPU: 8198.73, 0.00299616/step Wall: 8198.73, 0.00299616/step, 1.89657 hours remaining, 207.917969 MB of memory in use. ENERGY: 2721200 712.3797 2041.4031 1908.8572 112.3269 -205912.9781 17500.9600 0.0000 0.0000 34070.8586 -149566.1927 297.5493 -183637.0513 -149464.2655 297.6414 51.2011 78.4534 556075.5451 -13.2599 -13.3597 PRESSURE: 2721400 -294.198 -48.4805 -23.9474 -48.4809 -78.8122 89.6641 -23.948 89.663 -69.3654 GPRESSURE: 2721400 -227.541 -33.1497 -58.5584 -39.9209 -68.6796 95.6651 0.119949 109.573 -39.1363 PRESSAVG: 2721400 -17.1539 -29.6995 79.1639 -29.6996 -28.1533 -29.722 79.1639 -29.7221 23.7962 GPRESSAVG: 2721400 -16.0335 -29.0189 79.4214 -31.4016 -30.0521 -31.2655 79.3662 -28.626 24.8491 TIMING: 2721400 CPU: 8199.33, 0.00298494/step Wall: 8199.33, 0.00298494/step, 1.8893 hours remaining, 207.917969 MB of memory in use. ENERGY: 2721400 741.0402 2066.7171 1926.3084 105.4009 -206142.7765 17618.3673 0.0000 0.0000 34251.3908 -149433.5518 299.1259 -183684.9427 -149338.4123 298.0160 -147.4584 -111.7857 558472.6250 -7.1703 -7.0788 PRESSURE: 2721600 -82.6702 -245.714 5.94052 -245.713 -10.6868 64.6015 5.94063 64.603 24.7781 GPRESSURE: 2721600 -110.806 -264.58 126.389 -187.199 68.2838 118.925 -69.1279 -2.33203 64.4547 PRESSAVG: 2721600 -56.79 9.98685 -25.188 9.98687 123.071 7.0072 -25.188 7.0072 -49.2903 GPRESSAVG: 2721600 -58.7051 9.67555 -26.9432 10.2999 125.03 8.49045 -23.2826 5.11622 -49.3126 TIMING: 2721600 CPU: 8199.93, 0.00300516/step Wall: 8199.93, 0.00300516/step, 1.90193 hours remaining, 207.917969 MB of memory in use. ENERGY: 2721600 769.9340 2067.8143 1922.2731 116.6619 -206170.6284 17809.7049 0.0000 0.0000 34017.5494 -149466.6908 297.0837 -183484.2402 -149365.5744 299.0048 -22.8596 7.3110 556181.7020 5.6637 5.6707 PRESSURE: 2721800 4.93529 -9.71047 109.243 -9.70941 -150.62 -189.146 109.242 -189.147 -154.987 GPRESSURE: 2721800 51.5134 27.2217 119.206 -40.5718 -132.219 -154.776 101.427 -228.554 -122.757 PRESSAVG: 2721800 6.94766 -2.14759 -8.79814 -2.1475 -10.5592 -41.5383 -8.79819 -41.5385 0.992422 GPRESSAVG: 2721800 6.63925 -3.95546 -9.57111 -3.472 -10.0511 -42.6176 -8.70872 -40.9059 0.487065 TIMING: 2721800 CPU: 8200.53, 0.00301387/step Wall: 8200.53, 0.00301387/step, 1.90728 hours remaining, 207.917969 MB of memory in use. ENERGY: 2721800 748.1066 2090.9071 1931.0194 115.3121 -206365.9864 17686.9638 0.0000 0.0000 34311.3083 -149482.3691 299.6492 -183793.6775 -149386.7527 299.0104 -100.2240 -67.8211 556618.4418 -0.8730 -0.9749 PRESSURE: 2722000 65.7368 -13.3965 50.3489 -13.3951 -146.798 -104.875 50.3493 -104.874 256.068 GPRESSURE: 2722000 75.1972 12.5439 41.6018 -90.4854 -77.7467 -152.237 29.924 -68.6714 266.538 PRESSAVG: 2722000 71.2951 -24.2755 -24.0087 -24.2756 -28.6546 -8.14059 -24.0086 -8.14078 6.25664 GPRESSAVG: 2722000 72.4637 -23.2629 -22.8728 -21.9486 -29.2424 -9.91292 -23.8365 -6.75907 5.80985 TIMING: 2722000 CPU: 8201.13, 0.00302498/step Wall: 8201.13, 0.00302498/step, 1.91414 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: 2722000 728.0708 2118.1914 1944.7469 110.7917 -206431.2958 17994.1596 0.0000 0.0000 34182.6877 -149352.6477 298.5259 -183535.3354 -149254.1683 298.3331 58.3357 87.9962 556356.3702 16.2990 16.3437 PRESSURE: 2722200 -234.187 -200.565 -136.202 -200.566 -119.748 -42.6224 -136.202 -42.6223 -207.704 GPRESSURE: 2722200 -174.173 -207.965 -84.4195 -166.76 -78.6198 -69.2997 -166.564 -3.22497 -205.483 PRESSAVG: 2722200 -8.56865 17.4309 -24.2239 17.431 11.4559 11.2051 -24.2239 11.2051 3.87524 GPRESSAVG: 2722200 -8.49032 15.9086 -24.7825 16.8291 10.941 12.5016 -26.3077 11.7565 4.36075 TIMING: 2722200 CPU: 8201.73, 0.00299603/step Wall: 8201.73, 0.00299603/step, 1.89566 hours remaining, 207.917969 MB of memory in use. ENERGY: 2722200 753.6549 2061.0747 1943.5285 119.1774 -205867.6339 17570.2846 0.0000 0.0000 34024.8988 -149395.0150 297.1479 -183419.9138 -149292.0643 298.7993 -187.2130 -152.7586 557036.8217 2.2542 2.2705 PRESSURE: 2722400 -26.2658 16.7051 67.0433 16.706 -252.28 -43.6602 67.0433 -43.6608 -29.215 GPRESSURE: 2722400 -40.9189 -29.6479 86.5346 113.295 -210.803 -22.4558 50.3783 -47.8965 28.5957 PRESSAVG: 2722400 -9.43526 6.37894 11.3654 6.37891 -11.173 -56.97 11.3655 -56.9699 62.3249 GPRESSAVG: 2722400 -9.87924 7.11668 11.2144 7.45003 -10.9259 -55.0227 13.7434 -59.1157 62.6038 TIMING: 2722400 CPU: 8202.34, 0.0030339/step Wall: 8202.34, 0.0030339/step, 1.91944 hours remaining, 207.917969 MB of memory in use. ENERGY: 2722400 725.7799 2108.3708 1933.9393 116.0797 -206014.7054 17537.1430 0.0000 0.0000 34214.2702 -149379.1225 298.8017 -183593.3927 -149276.2789 298.8460 -102.5869 -74.3756 556891.3990 13.9055 13.9329 PRESSURE: 2722600 -235.987 -121.207 -214.652 -121.206 -55.6955 183.473 -214.653 183.475 42.4353 GPRESSURE: 2722600 -189.461 -145.428 -179.649 -108.327 -97.1408 181.059 -228.075 193.138 136.162 PRESSAVG: 2722600 -75.8181 -69.4928 -40.2006 -69.4928 -5.38664 2.54114 -40.2005 2.54112 39.474 GPRESSAVG: 2722600 -75.6768 -67.96 -38.7888 -70.6281 -6.59097 1.85132 -42.4658 3.37589 40.076 TIMING: 2722600 CPU: 8202.94, 0.00298994/step Wall: 8202.94, 0.00298994/step, 1.89147 hours remaining, 207.917969 MB of memory in use. ENERGY: 2722600 751.5462 2076.4201 1923.1457 119.1899 -206314.8348 17806.5870 0.0000 0.0000 34463.9423 -149174.0036 300.9822 -183637.9459 -149077.4227 299.5227 -83.0824 -50.1469 557804.5582 -13.9102 -14.0639 PRESSURE: 2722800 -31.228 12.1973 23.2463 12.1977 -122.198 -103.179 23.2464 -103.179 -125.192 GPRESSURE: 2722800 -7.24174 3.45427 39.9805 -101.709 -75.1602 -127.871 -41.8969 -83.3363 -105.931 PRESSAVG: 2722800 48.3867 -51.5182 -11.9034 -51.5182 -70.4335 -7.4726 -11.9034 -7.47271 19.3142 GPRESSAVG: 2722800 48.3926 -52.6726 -13.6456 -51.7756 -70.0738 -8.92732 -9.98642 -6.35157 18.5502 TIMING: 2722800 CPU: 8203.54, 0.00300336/step Wall: 8203.54, 0.00300336/step, 1.89979 hours remaining, 207.917969 MB of memory in use. ENERGY: 2722800 747.3909 2132.4874 1923.9217 114.8945 -206281.5119 17835.2601 0.0000 0.0000 34202.1848 -149325.3724 298.6962 -183527.5572 -149227.5923 299.8253 -92.8727 -62.7775 558164.1423 -0.9108 -1.0437 PRESSURE: 2723000 49.2267 26.2037 123.58 26.2018 -19.6097 46.3319 123.579 46.3317 254.978 GPRESSURE: 2723000 88.627 12.8707 189.233 63.2981 60.7801 4.07848 145.658 59.165 236.355 PRESSAVG: 2723000 10.1104 -15.4326 -14.4881 -15.4327 -5.68431 -41.5654 -14.4882 -41.5654 17.724 GPRESSAVG: 2723000 9.42456 -14.3843 -12.8867 -16.9477 -7.31158 -39.0409 -15.0702 -43.4439 19.4653 TIMING: 2723000 CPU: 8204.14, 0.00299631/step Wall: 8204.14, 0.00299631/step, 1.89517 hours remaining, 207.917969 MB of memory in use. ENERGY: 2723000 742.5747 2109.3124 1926.1277 113.7369 -206481.3751 17959.3231 0.0000 0.0000 34379.2074 -149251.0930 300.2422 -183630.3004 -149162.2872 299.3199 94.8650 128.5872 557748.5940 7.3833 7.1928 PRESSURE: 2723200 198.056 35.1105 -75.6991 35.1091 49.1994 111.951 -75.7001 111.951 102.463 GPRESSURE: 2723200 221.704 20.7766 -102.648 45.2986 76.4493 150.546 -20.237 123.972 148.668 PRESSAVG: 2723200 14.6454 7.25162 57.2296 7.25157 -12.097 31.7319 57.2296 31.7319 39.1976 GPRESSAVG: 2723200 14.3487 5.8269 55.4708 7.60074 -10.3168 30.9232 59.8919 31.3979 37.6076 TIMING: 2723200 CPU: 8204.74, 0.00300367/step Wall: 8204.74, 0.00300367/step, 1.89965 hours remaining, 207.917969 MB of memory in use. ENERGY: 2723200 752.4837 2089.6083 1941.8861 103.8348 -206305.2438 18041.4276 0.0000 0.0000 34140.0828 -149235.9204 298.1538 -183376.0032 -149139.0025 299.7896 116.5728 148.9403 558067.1645 13.9153 13.8798 PRESSURE: 2723400 179.516 3.03814 -47.8022 3.03756 151.979 -88.4694 -47.8019 -88.4705 96.787 GPRESSURE: 2723400 198.603 15.3559 18.1333 57.6026 162.467 -71.0801 -148.14 -144.571 159.428 PRESSAVG: 2723400 -17.48 -23.0991 69.5887 -23.0992 16.4642 -43.455 69.5887 -43.455 17.1824 GPRESSAVG: 2723400 -17.2251 -23.311 71.3531 -21.5743 16.0578 -42.3534 66.5114 -43.355 17.7488 TIMING: 2723400 CPU: 8205.34, 0.00301762/step Wall: 8205.34, 0.00301762/step, 1.90831 hours remaining, 207.917969 MB of memory in use. ENERGY: 2723400 752.5969 2116.3199 1935.3384 106.9965 -206366.2784 18021.1909 0.0000 0.0000 34262.4944 -149171.3415 299.2229 -183433.8358 -149079.7186 299.0932 142.7607 173.4994 556991.1625 5.3889 5.5272 PRESSURE: 2723600 -228.974 56.1106 74.5233 56.1091 -440.566 -124.65 74.5222 -124.649 -172.17 GPRESSURE: 2723600 -222.926 137.146 107.637 5.89101 -402.095 -127.716 31.1227 -143.63 -119.775 PRESSAVG: 2723600 63.976 31.1621 -46.0972 31.1621 -28.235 -12.4012 -46.0972 -12.4011 3.16285 GPRESSAVG: 2723600 63.5777 34.7794 -45.6371 29.8909 -27.7201 -14.1601 -44.06 -13.573 3.01508 TIMING: 2723600 CPU: 8205.94, 0.00300031/step Wall: 8205.94, 0.00300031/step, 1.8972 hours remaining, 207.917969 MB of memory in use. ENERGY: 2723600 755.0118 2052.3437 1909.6844 112.2269 -205648.8407 17247.2691 0.0000 0.0000 34588.8659 -148983.4388 302.0732 -183572.3048 -148895.3984 299.5359 -280.5697 -248.2654 559787.8699 12.9679 12.9575 PRESSURE: 2723800 208.549 41.3222 -13.8429 41.3212 -155.423 -51.4174 -13.843 -51.4186 -6.44464 GPRESSURE: 2723800 199.319 74.7562 7.08847 70.4021 -110.269 -19.7313 16.8127 -82.8604 49.7558 PRESSAVG: 2723800 11.5992 21.0103 -44.6655 21.0103 13.142 19.4645 -44.6655 19.4646 -22.2978 GPRESSAVG: 2723800 11.0549 19.3988 -46.3206 21.3147 13.6299 19.6992 -45.7844 20.7428 -22.1684 TIMING: 2723800 CPU: 8206.54, 0.00298734/step Wall: 8206.54, 0.00298734/step, 1.88883 hours remaining, 207.917969 MB of memory in use. ENERGY: 2723800 707.6334 2062.0717 1965.3730 120.2881 -205855.5995 17662.7224 0.0000 0.0000 34305.5624 -149031.9484 299.5990 -183337.5108 -148936.6884 300.1238 15.5607 46.2687 558898.4293 0.8145 0.8388 PRESSURE: 2724000 -129.608 -169.973 6.57783 -169.973 81.4113 100.732 6.57739 100.733 -85.4877 GPRESSURE: 2724000 -101.506 -148.383 -104.142 -145.308 143.052 71.9187 90.2114 70.231 -83.6328 PRESSAVG: 2724000 18.4175 -5.61694 -15.5538 -5.61689 -0.764706 8.50691 -15.5537 8.50694 -13.2454 GPRESSAVG: 2724000 19.7215 -6.80057 -15.6453 -5.98772 -0.199753 8.01064 -14.4615 8.82417 -15.2731 TIMING: 2724000 CPU: 8207.14, 0.00300204/step Wall: 8207.14, 0.00300204/step, 1.89796 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: 2724000 764.5044 2051.7623 1957.2691 134.1362 -206156.9416 17940.6438 0.0000 0.0000 34273.5294 -149035.0964 299.3193 -183308.6258 -148934.5327 299.4325 -44.5616 -14.0291 559209.7075 1.4691 1.4162 PRESSURE: 2724200 103.506 -40.24 -65.3839 -40.2398 -118.707 70.2682 -65.3833 70.2674 -110.191 GPRESSURE: 2724200 142.598 -57.0866 -100.608 -10.7223 -123.494 14.4976 -24.5838 72.4467 -49.2902 PRESSAVG: 2724200 70.9681 -28.3726 16.1655 -28.3727 47.5032 23.9329 16.1656 23.933 -86.6153 GPRESSAVG: 2724200 69.9631 -27.4866 15.0068 -28.3419 47.3255 25.1353 15.7702 23.5346 -84.9279 TIMING: 2724200 CPU: 8207.74, 0.00301184/step Wall: 8207.74, 0.00301184/step, 1.90398 hours remaining, 207.917969 MB of memory in use. ENERGY: 2724200 731.6872 2131.2509 1925.9858 117.9264 -206108.9186 17650.3193 0.0000 0.0000 34423.7486 -149128.0004 300.6312 -183551.7490 -149028.7228 299.5963 -41.7973 -10.0621 557893.4941 10.6187 10.7869 LDB: ============= START OF LOAD BALANCING ============== 8211.26 LDB: ============== END OF LOAD BALANCING =============== 8211.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8211.26 LDB: ============= START OF LOAD BALANCING ============== 8211.56 LDB: Largest compute 4772 load 0.028091 is 23.8% of average load 0.118017 LDB: Average compute 0.001724 is 1.5% of average load 0.118017 LDB: TIME 8211.56 LOAD: AVG 0.118017 MAX 0.205797 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.43 MB LDB: TIME 8211.56 LOAD: AVG 0.118017 MAX 0.205797 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: TIME 8211.57 LOAD: AVG 0.118017 MAX 0.205797 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: ============== END OF LOAD BALANCING =============== 8211.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8211.57 PRESSURE: 2724400 -84.643 -133.696 -54.1537 -133.694 375.269 11.6732 -54.1533 11.6729 61.5021 GPRESSURE: 2724400 -75.0078 -70.6731 10.5464 -135.952 414.895 110.182 -23.6788 18.2336 105.316 PRESSAVG: 2724400 -14.447 -55.7484 12.5678 -55.7484 69.3531 17.9448 12.5677 17.9447 -77.9773 GPRESSAVG: 2724400 -15.2063 -55.6403 13.7091 -57.8532 69.3893 15.556 13.8413 20.1631 -77.633 TIMING: 2724400 CPU: 8208.35, 0.00305771/step Wall: 8208.35, 0.0030577/step, 1.93281 hours remaining, 209.000000 MB of memory in use. ENERGY: 2724400 757.1189 2087.3175 1949.7779 99.0049 -206188.3185 17784.0066 0.0000 0.0000 34384.8120 -149126.2806 300.2911 -183511.0926 -149035.0783 299.6690 117.3760 148.4011 555336.6012 -7.6904 -7.8167 PRESSURE: 2724600 115.72 -194.493 -94.9714 -194.492 -245.42 61.8727 -94.9709 61.8713 -127.133 GPRESSURE: 2724600 122.376 -193.352 -50.8179 -189.083 -167.599 -19.814 -166.135 105.252 -107.509 PRESSAVG: 2724600 -28.7163 -51.3562 3.68172 -51.3563 0.212817 -92.3872 3.68174 -92.3872 42.5122 GPRESSAVG: 2724600 -27.0327 -52.2492 3.32841 -49.3486 0.112894 -91.1197 2.27863 -92.8441 41.0358 TIMING: 2724600 CPU: 8208.96, 0.00300852/step Wall: 8208.96, 0.00300852/step, 1.90155 hours remaining, 209.203125 MB of memory in use. ENERGY: 2724600 737.6256 2123.5720 1945.4330 115.2209 -205934.7201 17524.3550 0.0000 0.0000 34292.3398 -149196.1740 299.4835 -183488.5137 -149095.0528 299.1651 -85.6110 -50.9104 557895.6090 4.6696 4.7053 PRESSURE: 2724800 51.2218 150.334 -29.2843 150.333 -156.651 95.7748 -29.2838 95.7759 24.1762 GPRESSURE: 2724800 37.6581 100.457 -64.3818 153.85 -103.12 -19.8131 12.9638 124.393 75.406 PRESSAVG: 2724800 -69.6455 -30.4568 -31.1186 -30.4568 123.171 -10.1336 -31.1187 -10.1335 -29.7685 GPRESSAVG: 2724800 -69.5061 -27.4683 -31.4873 -32.1464 122.648 -10.3697 -30.3167 -12.1611 -29.2033 TIMING: 2724800 CPU: 8209.56, 0.00303337/step Wall: 8209.56, 0.00303337/step, 1.91709 hours remaining, 209.203125 MB of memory in use. ENERGY: 2724800 746.3442 2073.9287 1935.6794 115.1901 -206073.3819 17673.7373 0.0000 0.0000 34290.7414 -149237.7608 299.4696 -183528.5021 -149143.4824 299.2885 -27.0844 3.3147 556493.7275 7.9192 7.9797 PRESSURE: 2725000 215.823 45.2286 -10.0189 45.2277 266.437 -99.1153 -10.0177 -99.1161 8.34904 GPRESSURE: 2725000 256.409 85.1282 48.641 50.5579 291.515 -114.936 -122.881 -33.4722 47.9869 PRESSAVG: 2725000 17.355 -22.5105 5.82176 -22.5104 -5.70101 -27.0252 5.82181 -27.0252 22.1809 GPRESSAVG: 2725000 16.8684 -25.3265 6.93564 -22.7947 -4.75439 -28.16 5.59767 -25.7082 22.0056 TIMING: 2725000 CPU: 8210.16, 0.00298937/step Wall: 8210.16, 0.00298937/step, 1.88911 hours remaining, 209.203125 MB of memory in use. ENERGY: 2725000 728.3442 2058.3852 1912.0272 119.2782 -206270.7262 18019.9903 0.0000 0.0000 34395.1771 -149037.5241 300.3816 -183432.7012 -148942.0134 299.6287 163.5361 198.6368 556912.8911 11.2783 11.3732 PRESSURE: 2725200 -128.722 -99.7564 -22.597 -99.7575 15.2023 -7.13901 -22.5955 -7.14042 37.0609 GPRESSURE: 2725200 -109.1 -72.9557 77.7573 -17.0997 73.5592 1.79243 36.3135 -16.1004 48.255 PRESSAVG: 2725200 -25.1538 58.2123 -19.1047 58.2122 21.6938 -19.4772 -19.1048 -19.4773 -13.337 GPRESSAVG: 2725200 -23.132 59.9752 -17.2842 58.3436 20.5434 -19.785 -19.4184 -18.6243 -13.8538 TIMING: 2725200 CPU: 8210.76, 0.00299788/step Wall: 8210.76, 0.00299788/step, 1.89433 hours remaining, 209.203125 MB of memory in use. ENERGY: 2725200 738.6837 2022.5595 1927.2594 113.0368 -205753.4131 17663.1228 0.0000 0.0000 34135.9178 -149152.8332 298.1175 -183288.7510 -149057.2669 300.1607 -25.4862 4.2382 559239.8056 -5.5990 -5.4808 PRESSURE: 2725400 189.53 2.91378 -93.9292 2.91405 46.6281 110.081 -93.9309 110.082 12.1341 GPRESSURE: 2725400 223.097 11.2612 -74.7724 0.930931 41.918 99.597 -104.104 109.081 79.5742 PRESSAVG: 2725400 6.98399 -55.9184 19.5732 -55.9184 -9.62376 -43.5516 19.5734 -43.5515 5.34299 GPRESSAVG: 2725400 6.23813 -57.0353 16.6026 -52.7902 -9.43692 -42.5538 18.1402 -45.0279 6.08197 TIMING: 2725400 CPU: 8211.36, 0.00301132/step Wall: 8211.36, 0.00301132/step, 1.90265 hours remaining, 209.203125 MB of memory in use. ENERGY: 2725400 728.0130 2115.2951 1946.4791 109.8663 -206487.4654 17982.7823 0.0000 0.0000 34291.7898 -149313.2399 299.4787 -183605.0296 -149208.9521 299.6948 82.7640 114.8629 557097.2287 0.9011 0.9611 PRESSURE: 2725600 -17.164 5.93368 54.222 5.93273 -17.391 -164.014 54.2227 -164.015 212.018 GPRESSURE: 2725600 29.2169 41.0793 94.9996 18.1909 -4.63545 -140.642 0.397006 -135.237 239.831 PRESSAVG: 2725600 -40.9881 -56.4835 48.18 -56.4836 59.159 -6.35632 48.18 -6.35635 -3.03739 GPRESSAVG: 2725600 -41.3658 -55.2549 50.504 -57.5404 58.2438 -4.34164 47.6719 -5.64846 -2.52128 TIMING: 2725600 CPU: 8211.96, 0.00299608/step Wall: 8211.96, 0.00299608/step, 1.89285 hours remaining, 209.203125 MB of memory in use. ENERGY: 2725600 763.5327 2090.7906 1959.9627 108.7800 -206443.6860 17947.8640 0.0000 0.0000 34404.4639 -149168.2921 300.4627 -183572.7559 -149072.5730 299.7137 59.1542 88.1374 557999.4897 5.0445 4.7856 PRESSURE: 2725800 115.366 121.544 -28.793 121.543 -132.454 66.5739 -28.7938 66.5758 69.0121 GPRESSURE: 2725800 185.804 108.679 -41.3187 126.247 -117.385 11.3043 -38.1685 49.3757 85.9581 PRESSAVG: 2725800 -10.0872 -18.7276 21.1271 -18.7276 -77.8229 -5.29804 21.1272 -5.29808 68.9311 GPRESSAVG: 2725800 -8.72106 -20.6641 21.2128 -19.8832 -77.8852 -7.07185 19.8781 -5.10057 67.55 TIMING: 2725800 CPU: 8212.57, 0.0030185/step Wall: 8212.57, 0.0030185/step, 1.90686 hours remaining, 209.203125 MB of memory in use. ENERGY: 2725800 713.2742 2076.0951 1924.4047 125.1459 -206013.3786 17826.7312 0.0000 0.0000 34145.7714 -149201.9560 298.2035 -183347.7274 -149105.1539 299.8183 17.3082 51.4590 558266.7670 -6.3264 -6.3521 PRESSURE: 2726000 18.5153 31.0594 -24.9939 31.0593 241.002 86.9041 -24.9942 86.9038 -155.14 GPRESSURE: 2726000 58.4587 58.5226 -33.689 70.5839 283.235 111.342 -49.4464 12.1686 -134.389 PRESSAVG: 2726000 -43.2634 -34.1796 20.3599 -34.1797 33.897 1.84 20.36 1.84008 43.013 GPRESSAVG: 2726000 -43.7896 -35.2676 18.2346 -32.7479 34.7621 1.89414 24.7774 0.672169 42.7328 TIMING: 2726000 CPU: 8213.17, 0.00300243/step Wall: 8213.17, 0.00300243/step, 1.89654 hours remaining, 209.203125 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: 2726000 723.2471 2095.5069 1936.0464 115.8430 -206120.2467 17810.7328 0.0000 0.0000 34296.0411 -149142.8292 299.5159 -183438.8704 -149050.9254 299.6091 34.7925 69.1016 557526.2852 11.2156 11.2351 PRESSURE: 2726200 114.11 -18.7827 47.649 -18.7821 39.0327 112.531 47.6508 112.529 -216.417 GPRESSURE: 2726200 117.401 21.8333 64.4877 -66.3972 19.8615 -11.1105 56.7807 23.2938 -105.407 PRESSAVG: 2726200 -15.5008 -8.40754 -37.5219 -8.40754 17.4388 -15.1199 -37.5218 -15.12 -4.30579 GPRESSAVG: 2726200 -17.219 -7.29577 -34.8539 -8.71614 18.0015 -13.1588 -40.1631 -16.0752 -2.88328 TIMING: 2726200 CPU: 8213.76, 0.00298039/step Wall: 8213.76, 0.00298039/step, 1.88244 hours remaining, 209.203125 MB of memory in use. ENERGY: 2726200 694.7552 2125.0738 1929.1930 123.2885 -205891.5256 17597.8865 0.0000 0.0000 34353.3169 -149068.0117 300.0161 -183421.3286 -148972.2750 299.2848 -21.0913 10.6185 556686.7463 -0.7893 -0.7003 PRESSURE: 2726400 7.01344 -70.2917 -40.8484 -70.2922 -29.3753 121.174 -40.8491 121.173 68.0381 GPRESSURE: 2726400 31.3549 -65.936 -16.0125 0.221212 7.09849 114.801 4.68256 94.8296 111.101 PRESSAVG: 2726400 -27.0765 -16.3861 16.6833 -16.3862 6.91461 59.4639 16.6833 59.4638 16.8347 GPRESSAVG: 2726400 -25.6384 -14.6142 15.8704 -18.1009 6.01796 58.6032 17.1999 60.7272 16.1698 TIMING: 2726400 CPU: 8214.36, 0.00298075/step Wall: 8214.36, 0.00298075/step, 1.88251 hours remaining, 209.203125 MB of memory in use. ENERGY: 2726400 755.0755 2012.0273 1901.4524 109.4455 -206041.7204 17705.6479 0.0000 0.0000 34423.1458 -149134.9260 300.6259 -183558.0718 -149039.9536 299.9780 15.2254 49.8515 556687.3429 -1.1090 -1.1502 PRESSURE: 2726600 234.025 -113.448 164.528 -113.448 115.63 -68.2703 164.528 -68.2715 27.3917 GPRESSURE: 2726600 204.279 -119.577 24.5304 -133.778 197.863 -37.9951 189.028 -131.088 73.4004 PRESSAVG: 2726600 -36.3562 -34.6454 -42.1904 -34.6454 20.4718 45.3647 -42.1904 45.3647 -17.0597 GPRESSAVG: 2726600 -36.1567 -34.1437 -42.616 -34.6016 20.6632 42.8286 -43.6285 47.1169 -17.2393 TIMING: 2726600 CPU: 8214.96, 0.00300054/step Wall: 8214.96, 0.00300054/step, 1.89484 hours remaining, 209.406250 MB of memory in use. ENERGY: 2726600 741.1515 2004.9838 1918.4468 113.2817 -206097.7278 17757.6134 0.0000 0.0000 34560.9114 -149001.3391 301.8290 -183562.2505 -148904.5903 300.2647 125.6821 158.5141 555891.7564 -10.9814 -10.9109 PRESSURE: 2726800 -112.629 41.1033 2.39708 41.1024 29.9205 -75.7301 2.39587 -75.7291 7.94487 GPRESSURE: 2726800 -82.8063 169.896 10.5126 12.7104 73.2763 -69.4619 -36.5064 -72.8778 18.1418 PRESSAVG: 2726800 -24.7762 -63.8007 22.984 -63.8007 -13.3905 -20.9359 22.9841 -20.9358 26.3176 GPRESSAVG: 2726800 -24.6332 -64.2123 23.5743 -64.0049 -14.2893 -18.741 25.066 -24.1488 27.2382 TIMING: 2726800 CPU: 8215.56, 0.00300569/step Wall: 8215.56, 0.00300569/step, 1.89793 hours remaining, 209.406250 MB of memory in use. ENERGY: 2726800 759.1161 1986.4379 1931.5150 111.6257 -205868.3949 17763.4352 0.0000 0.0000 34405.7682 -148910.4970 300.4741 -183316.2652 -148816.5532 299.6128 -24.9211 2.8706 557854.9107 -3.9497 -3.8948 PRESSURE: 2727000 -53.8974 215.498 117.284 215.498 161.118 -41.5983 117.283 -41.5982 142.451 GPRESSURE: 2727000 12.6345 186.508 -3.57059 130.732 174.517 -81.6298 236.647 -39.9905 166.698 PRESSAVG: 2727000 13.2611 65.4309 22.519 65.431 -18.796 -21.3695 22.5191 -21.3694 22.1966 GPRESSAVG: 2727000 13.0896 65.3425 20.3823 65.4171 -18.0433 -22.0341 22.7901 -19.2231 21.4163 TIMING: 2727000 CPU: 8216.16, 0.00298573/step Wall: 8216.16, 0.00298573/step, 1.88516 hours remaining, 209.406250 MB of memory in use. ENERGY: 2727000 747.4665 2016.1283 1927.5542 103.4704 -206002.9246 17863.8364 0.0000 0.0000 34332.0002 -149012.4686 299.8299 -183344.4688 -148916.6490 299.0430 83.2239 117.9499 556932.4836 5.5539 5.4875 PRESSURE: 2727200 -120.108 98.0958 -256.991 98.0952 139.519 -90.8581 -256.992 -90.8597 76.7386 GPRESSURE: 2727200 -74.0766 25.1217 -159.563 198.961 191.119 -137.554 -219.781 -26.2002 81.5452 PRESSAVG: 2727200 -7.19437 37.1385 12.7197 37.1385 -34.9955 -11.2014 12.7197 -11.2014 35.4547 GPRESSAVG: 2727200 -7.64688 34.4988 14.1004 38.5748 -35.1722 -13.9408 11.0113 -10.4747 36.2051 TIMING: 2727200 CPU: 8216.75, 0.00298666/step Wall: 8216.75, 0.00298666/step, 1.88558 hours remaining, 209.406250 MB of memory in use. ENERGY: 2727200 747.6369 2052.2160 1944.1168 113.9032 -206085.3409 17801.9048 0.0000 0.0000 34197.5478 -149228.0154 298.6557 -183425.5633 -149134.1263 299.4846 32.0499 66.1959 556876.2436 -2.2451 -2.2046 PRESSURE: 2727400 -182.389 49.5984 173.432 49.5985 103.51 -42.9333 173.431 -42.934 27.6924 GPRESSURE: 2727400 -151.345 170.226 131.409 9.47499 117.509 7.3275 236.232 16.5155 77.0298 PRESSAVG: 2727400 24.8351 -19.7214 32.4603 -19.7214 -5.07169 -0.645619 32.4604 -0.645555 12.8885 GPRESSAVG: 2727400 24.8713 -17.0092 33.7044 -22.1982 -3.70014 2.50512 34.1676 -1.24068 12.0797 TIMING: 2727400 CPU: 8217.35, 0.00296737/step Wall: 8217.35, 0.00296737/step, 1.87324 hours remaining, 209.406250 MB of memory in use. ENERGY: 2727400 726.1712 2061.9087 1934.2944 117.0335 -206425.0500 17779.2872 0.0000 0.0000 34441.3648 -149364.9902 300.7850 -183806.3550 -149267.2399 299.1231 -17.0621 14.3980 556149.1598 10.8840 11.0836 PRESSURE: 2727600 -49.473 62.861 -192.602 62.8617 -198.072 -147.31 -192.603 -147.31 -243.209 GPRESSURE: 2727600 -38.2364 -34.6445 -91.7119 140.304 -105.21 -119.008 -238.713 -151.598 -243.965 PRESSAVG: 2727600 7.01165 21.5831 12.6174 21.5832 21.1578 -23.0321 12.6173 -23.0321 -8.11534 GPRESSAVG: 2727600 8.00103 20.1967 9.72865 24.4086 19.912 -22.4169 13.3461 -23.2904 -7.86093 TIMING: 2727600 CPU: 8217.95, 0.0030044/step Wall: 8217.95, 0.0030044/step, 1.89644 hours remaining, 209.406250 MB of memory in use. ENERGY: 2727600 743.2981 2046.6751 1941.5069 110.3274 -206036.2535 17587.3178 0.0000 0.0000 34153.7959 -149453.3323 298.2736 -183607.1282 -149359.1830 298.9075 -163.5847 -129.1370 557416.1397 6.6847 6.6840 PRESSURE: 2727800 49.064 37.5991 72.6685 37.5988 149.6 -3.18192 72.6689 -3.17913 62.6151 GPRESSURE: 2727800 109.33 97.4146 30.5217 16.1268 190.146 7.29853 83.8364 -40.5033 64.0197 PRESSAVG: 2727800 84.9071 23.4752 -75.3868 23.4751 -26.7354 -35.0552 -75.3868 -35.0551 -46.4158 GPRESSAVG: 2727800 83.9961 24.2428 -75.5749 24.4979 -26.5848 -34.6614 -75.6879 -36.7688 -45.4661 TIMING: 2727800 CPU: 8218.54, 0.00298076/step Wall: 8218.54, 0.00298076/step, 1.88136 hours remaining, 209.406250 MB of memory in use. ENERGY: 2727800 725.3089 2070.8067 1969.4561 121.3973 -206309.3513 17898.5833 0.0000 0.0000 34228.3374 -149295.4616 298.9246 -183523.7990 -149204.0624 299.2005 87.0931 121.1650 555362.0344 3.9186 3.9817 PRESSURE: 2728000 -222.318 -131.712 -71.2679 -131.712 -308.187 -32.4101 -71.2687 -32.4111 -245.925 GPRESSURE: 2728000 -185.375 -107.851 -113.212 -26.2042 -309.51 -54.3589 5.03757 16.788 -193.753 PRESSAVG: 2728000 -2.98197 46.8975 14.3919 46.8975 -48.9603 -35.8838 14.392 -35.8836 69.8205 GPRESSAVG: 2728000 -2.14875 45.5402 15.8275 46.4325 -49.3186 -35.5832 12.8116 -35.6063 68.871 TIMING: 2728000 CPU: 8219.14, 0.0029784/step Wall: 8219.14, 0.0029784/step, 1.8797 hours remaining, 209.406250 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: 2728000 772.8605 2058.0947 1932.2112 110.6562 -205588.7512 17328.9495 0.0000 0.0000 34192.1073 -149193.8717 298.6082 -183385.9791 -149097.0522 299.6356 -258.8102 -229.5460 557156.5359 5.9594 5.8012 PRESSURE: 2728200 -115.073 45.9366 -175.422 45.9372 -332.832 -81.5625 -175.422 -81.5616 -105.605 GPRESSURE: 2728200 -91.0613 90.5558 -211.932 43.7949 -316.876 -105.327 -143.476 -204.934 -62.2368 PRESSAVG: 2728200 11.2127 11.6519 -2.94765 11.6519 -50.6942 -17.1032 -2.94766 -17.1031 45.2134 GPRESSAVG: 2728200 10.3733 12.7701 -3.05798 10.2247 -49.5943 -16.5951 -2.84414 -18.5773 44.3679 TIMING: 2728200 CPU: 8219.74, 0.00300332/step Wall: 8219.74, 0.00300332/step, 1.89526 hours remaining, 209.406250 MB of memory in use. ENERGY: 2728200 729.0599 2118.7043 1938.8552 100.0712 -206017.5663 17397.3063 0.0000 0.0000 34381.2748 -149352.2947 300.2602 -183733.5695 -149255.5174 300.2322 -184.5033 -156.7247 556247.4228 1.9106 1.7156 LDB: ============= START OF LOAD BALANCING ============== 8223.26 LDB: ============== END OF LOAD BALANCING =============== 8223.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8223.26 LDB: ============= START OF LOAD BALANCING ============== 8223.56 LDB: Largest compute 4772 load 0.028956 is 24.5% of average load 0.118057 LDB: Average compute 0.001734 is 1.5% of average load 0.118057 LDB: TIME 8223.57 LOAD: AVG 0.118057 MAX 0.21029 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.453 MB LDB: TIME 8223.57 LOAD: AVG 0.118057 MAX 0.21029 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.656 MB LDB: TIME 8223.57 LOAD: AVG 0.118057 MAX 0.21029 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.656 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8223.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8223.57 PRESSURE: 2728400 299.062 222.467 -70.4245 222.468 -161.513 -0.0817519 -70.4235 -0.0820129 198.147 GPRESSURE: 2728400 360.529 287.502 -139.552 151.055 -122.166 12.8691 -31.044 118.855 200.804 PRESSAVG: 2728400 15.4823 10.3291 -9.17855 10.3292 -39.1169 42.5136 -9.17852 42.5136 52.3391 GPRESSAVG: 2728400 16.2023 10.3349 -9.96691 11.9169 -40.0315 41.789 -9.70131 46.591 52.3478 TIMING: 2728400 CPU: 8220.36, 0.00308284/step Wall: 8220.36, 0.00308284/step, 1.94527 hours remaining, 209.167969 MB of memory in use. ENERGY: 2728400 739.8681 2085.1496 1935.5799 115.8036 -206481.5502 17923.0644 0.0000 0.0000 34532.0036 -149150.0810 301.5766 -183682.0846 -149052.9850 299.9093 111.8989 146.3891 556678.9896 9.5682 9.5062 PRESSURE: 2728600 -175.132 -133.539 71.6048 -133.54 48.5942 50.0827 71.6045 50.0829 -252.083 GPRESSURE: 2728600 -190.276 -81.3557 198.899 -137.23 110.861 19.6054 10.9941 90.6427 -213.785 PRESSAVG: 2728600 44.136 -14.3364 -16.3309 -14.3364 -7.99561 26.8567 -16.3309 26.8567 10.9325 GPRESSAVG: 2728600 44.2059 -12.9195 -16.4996 -14.8213 -8.6108 25.7897 -15.6069 26.7737 11.9194 TIMING: 2728600 CPU: 8220.96, 0.00303858/step Wall: 8220.96, 0.00303858/step, 1.91718 hours remaining, 209.167969 MB of memory in use. ENERGY: 2728600 743.3271 2074.2690 1934.3254 125.7062 -206015.5834 17600.5655 0.0000 0.0000 34589.8410 -148947.5492 302.0817 -183537.3902 -148845.5108 300.5760 -126.2071 -97.7331 556688.0180 15.6910 15.8382 PRESSURE: 2728800 16.329 10.328 151.344 10.3277 -142.37 -58.4479 151.344 -58.4487 -157.258 GPRESSURE: 2728800 58.3574 26.9869 169.951 61.3832 -96.7779 -152.85 48.9799 -87.393 -144.422 PRESSAVG: 2728800 46.5332 8.56109 15.6657 8.56111 -2.59627 -9.76216 15.6657 -9.76209 -37.5075 GPRESSAVG: 2728800 46.4832 7.18438 17.1985 9.75072 -2.49724 -9.49214 14.7976 -12.8544 -37.0002 TIMING: 2728800 CPU: 8221.57, 0.00303766/step Wall: 8221.57, 0.00303766/step, 1.91643 hours remaining, 209.167969 MB of memory in use. ENERGY: 2728800 727.0725 2130.9944 1933.1265 119.2121 -206000.4477 17602.3123 0.0000 0.0000 34443.8828 -149043.8469 300.8070 -183487.7298 -148958.2156 299.9059 -94.4330 -60.9474 557669.0880 2.1431 2.3286 PRESSURE: 2729000 -96.0382 23.8163 149.46 23.8166 -2.26983 -139.842 149.461 -139.843 81.931 GPRESSURE: 2729000 -45.8705 -29.1632 186.458 48.0784 13.9406 -19.9967 179.328 -155.438 110.412 PRESSAVG: 2729000 -20.1869 8.63599 72.2959 8.63591 -2.33524 -12.0832 72.2958 -12.0833 -2.58648 GPRESSAVG: 2729000 -20.5048 8.00912 71.4742 8.11683 -0.844738 -12.5754 72.6939 -10.3364 -3.52883 TIMING: 2729000 CPU: 8222.18, 0.00301512/step Wall: 8222.18, 0.00301512/step, 1.90204 hours remaining, 209.167969 MB of memory in use. ENERGY: 2729000 730.0922 2035.8290 1911.4857 116.8132 -206011.1840 17747.7567 0.0000 0.0000 34327.1805 -149142.0267 299.7878 -183469.2072 -149038.6763 299.8403 -5.4590 26.1606 557136.4821 -8.3695 -8.2928 PRESSURE: 2729200 384.1 -85.5167 54.122 -85.5172 103.192 -18.1087 54.1205 -18.1073 209.314 GPRESSURE: 2729200 433.212 -113.269 72.1484 -60.5832 188.646 -42.1928 72.5027 39.1496 186.04 PRESSAVG: 2729200 9.51289 15.9834 67.6059 15.9834 -24.8686 0.773982 67.6059 0.774034 36.34 GPRESSAVG: 2729200 9.7176 17.2478 66.5147 14.9915 -24.6515 0.42386 68.1076 -0.419996 35.8467 TIMING: 2729200 CPU: 8222.77, 0.00299781/step Wall: 8222.77, 0.00299781/step, 1.89095 hours remaining, 209.167969 MB of memory in use. ENERGY: 2729200 720.0091 2107.5804 1912.9967 108.5318 -206303.8309 18031.2795 0.0000 0.0000 34330.3210 -149093.1123 299.8152 -183423.4334 -149002.7701 299.4087 232.2019 269.2994 556106.4896 6.9948 6.9709 PRESSURE: 2729400 192.588 23.7207 184.741 23.7207 -261.547 72.8865 184.742 72.8857 -34.5166 GPRESSURE: 2729400 187.466 23.476 178.065 126.809 -240.899 90.3586 140.665 -3.93749 35.0215 PRESSAVG: 2729400 -5.10728 34.5812 -39.6709 34.5811 25.7857 -5.52727 -39.671 -5.52726 -16.7433 GPRESSAVG: 2729400 -6.1754 33.3776 -41.0983 35.6041 25.8697 -5.43475 -37.0681 -5.67544 -15.2857 TIMING: 2729400 CPU: 8223.37, 0.0029674/step Wall: 8223.37, 0.0029674/step, 1.87161 hours remaining, 209.167969 MB of memory in use. ENERGY: 2729400 781.8079 2111.9157 1923.6491 102.6303 -206194.1419 17885.5745 0.0000 0.0000 34280.6680 -149107.8963 299.3816 -183388.5643 -149002.8107 299.7598 -34.4920 -6.1371 558978.4412 1.3117 1.4695 PRESSURE: 2729600 -206.152 40.5651 88.0879 40.5646 56.0098 32.2859 88.089 32.2854 43.7013 GPRESSURE: 2729600 -209.371 35.3251 112.273 87.1649 115.021 -28.8156 172.315 134.21 85.838 PRESSAVG: 2729600 -40.2613 -9.3746 12.5777 -9.37463 -17.8513 -23.6754 12.5778 -23.6753 -7.32265 GPRESSAVG: 2729600 -37.6462 -5.86791 14.0838 -12.1351 -19.106 -22.5844 10.3161 -23.4553 -8.31778 TIMING: 2729600 CPU: 8223.96, 0.00297747/step Wall: 8223.96, 0.00297747/step, 1.87779 hours remaining, 209.167969 MB of memory in use. ENERGY: 2729600 751.3501 2071.5020 1977.6982 125.5119 -206138.4593 17844.7296 0.0000 0.0000 34353.5961 -149014.0715 300.0185 -183367.6676 -148915.1985 299.5218 -35.4802 -2.8374 558470.8400 -21.8118 -21.6900 PRESSURE: 2729800 -113.961 78.3988 -153.101 78.3985 59.0002 7.66936 -153.101 7.66872 -124.179 GPRESSURE: 2729800 -108.601 105.453 -159.959 -27.381 124.342 -45.3019 -199.665 68.3214 -98.1591 PRESSAVG: 2729800 -4.32187 -18.3878 -54.8479 -18.3879 -1.04572 -10.76 -54.8479 -10.7601 5.59599 GPRESSAVG: 2729800 -5.58201 -19.6818 -54.335 -15.4756 -1.63362 -12.1304 -56.7883 -9.6654 6.87843 TIMING: 2729800 CPU: 8224.56, 0.0030011/step Wall: 8224.56, 0.0030011/step, 1.89252 hours remaining, 209.167969 MB of memory in use. ENERGY: 2729800 728.0427 2101.2432 1940.8149 130.8892 -205852.7159 17709.4866 0.0000 0.0000 34198.9842 -149043.2552 298.6682 -183242.2393 -148952.9871 300.8204 -59.7131 -27.4729 559283.1591 0.0761 -0.1124 PRESSURE: 2730000 131.585 -85.5999 -5.01253 -85.6003 190.059 -118.561 -5.01259 -118.56 87.0168 GPRESSURE: 2730000 160.343 -138.967 5.90865 -30.2612 224.437 -199.053 -3.08396 -47.4025 125.95 PRESSAVG: 2730000 -45.876 -76.0299 -9.56696 -76.03 36.0097 41.8691 -9.56703 41.8691 -4.46746 GPRESSAVG: 2730000 -46.9537 -74.4326 -10.3475 -77.305 36.6371 41.2414 -9.72072 40.3243 -4.10961 TIMING: 2730000 CPU: 8225.16, 0.00297765/step Wall: 8225.16, 0.00297765/step, 1.87758 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: 2730000 725.3861 2122.4057 1937.9419 125.5913 -206445.4626 18174.9461 0.0000 0.0000 34364.4277 -148994.7638 300.1131 -183359.1915 -148898.6424 299.7703 136.2205 170.2433 558199.1304 -4.7779 -4.8088 PRESSURE: 2730200 -171.152 -59.2708 -86.6219 -59.2706 -117.016 -155.873 -86.6224 -155.875 -363.452 GPRESSURE: 2730200 -146.401 -34.5278 -132.561 -70.5132 -138.424 -143.301 -83.644 -206.4 -271.983 PRESSAVG: 2730200 -18.1238 -1.04694 -7.88999 -1.04689 42.2263 -22.7533 -7.88997 -22.7534 -20.4044 GPRESSAVG: 2730200 -18.2704 -0.987369 -7.8929 -2.69024 41.7779 -20.9576 -6.67447 -20.9844 -19.6632 TIMING: 2730200 CPU: 8225.75, 0.00297141/step Wall: 8225.75, 0.00297141/step, 1.87347 hours remaining, 209.167969 MB of memory in use. ENERGY: 2730200 775.5276 2097.5060 1918.3547 122.7897 -205841.9227 17612.9879 0.0000 0.0000 34250.5796 -149064.1771 299.1188 -183314.7568 -148964.1030 299.5941 -217.2066 -185.6031 559446.2212 1.2327 1.2815 PRESSURE: 2730400 71.2706 -73.2113 -9.78819 -73.2108 -2.54458 -8.58454 -9.78875 -8.58395 -235.52 GPRESSURE: 2730400 72.9402 -59.1889 -81.8343 -112.694 28.0131 -93.0845 142.992 19.1425 -174.173 PRESSAVG: 2730400 54.1735 -1.18964 18.4034 -1.18966 -49.1435 -52.8358 18.4033 -52.836 -21.4385 GPRESSAVG: 2730400 54.8685 -4.0874 19.0227 -0.542549 -47.9626 -54.9891 19.6708 -51.8808 -23.0312 TIMING: 2730400 CPU: 8226.35, 0.00296654/step Wall: 8226.35, 0.00296654/step, 1.87024 hours remaining, 209.167969 MB of memory in use. ENERGY: 2730400 715.4330 2137.4372 1969.8066 103.5392 -205759.6489 17563.1332 0.0000 0.0000 34217.3494 -149052.9504 298.8286 -183270.2997 -148962.2704 299.5829 -55.5980 -24.4065 558062.2543 -5.4695 -5.3751 PRESSURE: 2730600 260.431 -20.3472 -110.615 -20.347 295.847 -107.259 -110.614 -107.26 -93.7287 GPRESSURE: 2730600 341.866 -61.9181 -81.1115 55.7504 322.733 -90.0787 -180.115 -83.3405 -95.4136 PRESSAVG: 2730600 45.5589 -12.9448 -10.2081 -12.9448 -30.3278 -22.1349 -10.2082 -22.1349 7.71239 GPRESSAVG: 2730600 46.0172 -13.2433 -10.7099 -12.2379 -31.0793 -20.1455 -10.9519 -22.746 8.03087 TIMING: 2730600 CPU: 8226.94, 0.00296913/step Wall: 8226.94, 0.00296913/step, 1.87171 hours remaining, 209.167969 MB of memory in use. ENERGY: 2730600 759.7768 2093.4740 1969.1045 114.0965 -206431.9599 18085.4778 0.0000 0.0000 34324.8106 -149085.2198 299.7671 -183410.0304 -148987.4287 298.9491 154.1832 189.7285 555322.7181 7.6478 7.6562 PRESSURE: 2730800 -108.187 -39.7154 11.6766 -39.7158 -80.8848 -86.8743 11.6772 -86.8723 -4.83752 GPRESSURE: 2730800 -38.5439 -28.2634 60.2628 10.8062 -69.9365 -140.12 34.2971 -57.9201 -2.12505 PRESSAVG: 2730800 37.9847 -21.2065 -15.0014 -21.2066 50.5097 10.9058 -15.0013 10.9057 -78.8611 GPRESSAVG: 2730800 37.5771 -19.2741 -17.1858 -21.3182 49.7466 8.49725 -12.8807 11.12 -77.8899 TIMING: 2730800 CPU: 8227.54, 0.00299425/step Wall: 8227.54, 0.00299425/step, 1.88737 hours remaining, 209.167969 MB of memory in use. ENERGY: 2730800 726.2657 2092.4735 1943.5366 108.7135 -206013.7474 17747.5700 0.0000 0.0000 34178.9165 -149216.2716 298.4930 -183395.1881 -149118.2696 299.8971 -64.6366 -36.8685 558224.5432 3.2111 3.1446 PRESSURE: 2731000 111.833 7.73648 5.27311 7.73555 179.891 45.8068 5.27221 45.807 -210.375 GPRESSURE: 2731000 137.985 -22.6897 61.771 55.3531 257.075 63.2904 -49.5378 7.28432 -229.038 PRESSAVG: 2731000 -63.7222 -16.1359 -47.3893 -16.1359 26.4872 11.2229 -47.3893 11.223 -1.9002 GPRESSAVG: 2731000 -64.0176 -19.1272 -45.4898 -17.1177 27.5399 12.3578 -48.6179 9.45604 -2.76757 TIMING: 2731000 CPU: 8228.14, 0.00297916/step Wall: 8228.14, 0.00297916/step, 1.8777 hours remaining, 209.167969 MB of memory in use. ENERGY: 2731000 743.9454 2105.6244 1906.5477 116.2769 -206245.4629 17808.7438 0.0000 0.0000 34378.2836 -149186.0411 300.2341 -183564.3247 -149090.1541 299.1425 27.1163 55.3408 555932.3491 -13.0451 -13.0817 PRESSURE: 2731200 101.2 -44.529 19.366 -44.5293 222.885 1.06602 19.3675 1.06669 -160.001 GPRESSURE: 2731200 165.922 24.6932 50.6699 -86.9946 266.413 3.35802 -13.4915 20.8093 -159.463 PRESSAVG: 2731200 78.9793 25.1529 -38.0911 25.1528 -33.4416 19.5237 -38.091 19.5238 -56.1308 GPRESSAVG: 2731200 79.4099 27.9826 -36.2991 25.0803 -32.6248 17.0669 -40.0964 21.5196 -56.895 TIMING: 2731200 CPU: 8228.73, 0.00299094/step Wall: 8228.73, 0.00299094/step, 1.88496 hours remaining, 209.167969 MB of memory in use. ENERGY: 2731200 753.5574 2115.9816 1927.7723 106.9666 -206755.5904 18248.8346 0.0000 0.0000 34555.8058 -149046.6721 301.7844 -183602.4779 -148957.8840 301.0467 54.6946 90.9571 554758.9422 -3.5310 -3.3700 PRESSURE: 2731400 33.5661 73.9764 20.5751 73.9771 155.485 42.3993 20.5734 42.4014 47.2939 GPRESSURE: 2731400 80.9388 69.1505 78.3393 109.863 176.433 -25.3845 26.0292 94.7689 74.8395 PRESSAVG: 2731400 -17.457 -22.5378 -16.8401 -22.5378 14.2344 -3.17801 -16.8402 -3.17813 -23.8768 GPRESSAVG: 2731400 -17.7948 -22.7917 -19.8926 -22.7959 13.9622 -0.442621 -14.7603 -3.54954 -23.6817 TIMING: 2731400 CPU: 8229.34, 0.00301394/step Wall: 8229.34, 0.00301394/step, 1.89928 hours remaining, 209.167969 MB of memory in use. ENERGY: 2731400 715.8936 2093.8738 1915.9745 124.4848 -205996.2818 17831.4647 0.0000 0.0000 34284.3750 -149030.2154 299.4140 -183314.5904 -148927.4046 299.6158 78.7818 110.7371 556799.2346 -9.0331 -9.1714 PRESSURE: 2731600 55.1804 -57.1155 74.8157 -57.1149 67.4128 -124.61 74.8137 -124.609 67.8732 GPRESSURE: 2731600 110.763 -87.8114 103.426 -40.9472 105.085 -203.696 23.7513 -69.5493 71.0028 PRESSAVG: 2731600 -40.3854 -28.1599 53.6354 -28.16 68.4221 -9.61022 53.6354 -9.61027 -34.6745 GPRESSAVG: 2731600 -38.8772 -29.1197 54.7434 -26.9524 66.7574 -9.51934 53.8711 -9.93923 -34.6444 TIMING: 2731600 CPU: 8229.94, 0.00303164/step Wall: 8229.94, 0.00303164/step, 1.91027 hours remaining, 209.167969 MB of memory in use. ENERGY: 2731600 762.6872 2066.3512 1904.5568 111.3754 -206036.4325 17814.3002 0.0000 0.0000 34361.0648 -149016.0969 300.0837 -183377.1617 -148924.0390 299.9873 63.4888 95.6167 558074.4706 -2.2126 -2.2547 PRESSURE: 2731800 -132.877 -198.739 -2.79326 -198.74 -163.877 -61.7986 -2.79358 -61.7989 31.9842 GPRESSURE: 2731800 -97.7505 -130.726 -85.5579 -147.813 -87.3063 -91.5056 23.8802 -16.6633 18.9114 PRESSAVG: 2731800 34.997 -18.6368 33.8396 -18.6367 -67.971 10.2405 33.8396 10.2404 27.8907 GPRESSAVG: 2731800 32.6878 -19.0253 32.5985 -19.0899 -64.8646 8.13416 33.1913 10.321 27.4632 TIMING: 2731800 CPU: 8230.55, 0.00300972/step Wall: 8230.55, 0.00300972/step, 1.89629 hours remaining, 209.324219 MB of memory in use. ENERGY: 2731800 727.0236 2082.3960 1933.1408 123.2212 -206169.4738 17801.0730 0.0000 0.0000 34323.3006 -149179.3185 299.7539 -183502.6191 -149077.2848 299.5977 -88.2568 -55.3818 558454.0124 -1.6944 -1.5712 PRESSURE: 2732000 39.5197 11.0816 -62.4473 11.0823 -224.011 -147.534 -62.447 -147.533 -69.951 GPRESSURE: 2732000 86.3494 141.613 -3.55356 29.8844 -233.902 -139.975 -50.4885 -128.972 -3.59747 PRESSAVG: 2732000 25.5109 -38.5028 9.71228 -38.5027 -22.9449 -47.1396 9.71222 -47.1397 -18.0931 GPRESSAVG: 2732000 26.5352 -38.3253 10.0045 -38.2855 -24.5734 -45.124 9.5262 -47.3841 -17.5409 TIMING: 2732000 CPU: 8231.14, 0.00297108/step Wall: 8231.14, 0.00297108/step, 1.87178 hours remaining, 209.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2732000 736.4966 2079.8183 1941.8054 116.7119 -206138.6248 17812.7765 0.0000 0.0000 34208.3915 -149242.6245 298.7504 -183451.0161 -149145.6028 300.0232 -84.8142 -50.3835 558399.2549 -5.1757 -5.1931 PRESSURE: 2732200 -145.445 126.254 -15.0336 126.254 -194.897 -63.424 -15.0328 -63.4251 37.5322 GPRESSURE: 2732200 -137.46 135.481 12.0605 149.147 -72.0188 -72.425 -113.418 -120.521 4.96474 PRESSAVG: 2732200 -1.46574 23.1546 2.73419 23.1546 -43.3836 61.398 2.73424 61.3979 54.1222 GPRESSAVG: 2732200 -1.40388 22.7964 5.26003 23.006 -43.4161 60.0117 0.495929 61.3683 53.8941 TIMING: 2732200 CPU: 8231.73, 0.00297238/step Wall: 8231.73, 0.00297238/step, 1.87244 hours remaining, 209.324219 MB of memory in use. ENERGY: 2732200 735.5009 2117.5771 1940.2600 109.1463 -206248.2650 17773.9045 0.0000 0.0000 34260.2704 -149311.6057 299.2035 -183571.8760 -149226.4256 299.6598 -100.9367 -68.1714 557911.8068 3.0910 3.0247 LDB: ============= START OF LOAD BALANCING ============== 8235.25 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8235.25 LDB: =============== DONE WITH MIGRATION ================ 8235.25 LDB: ============= START OF LOAD BALANCING ============== 8235.55 LDB: Largest compute 4772 load 0.026483 is 22.4% of average load 0.118103 LDB: Average compute 0.001730 is 1.5% of average load 0.118103 LDB: TIME 8235.55 LOAD: AVG 0.118103 MAX 0.205023 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.633 MB LDB: TIME 8235.55 LOAD: AVG 0.118103 MAX 0.205023 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.836 MB LDB: TIME 8235.55 LOAD: AVG 0.118103 MAX 0.205023 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.836 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8235.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8235.56 PRESSURE: 2732400 -296.148 -220.571 -175.218 -220.571 72.9377 66.3807 -175.217 66.3794 2.70089 GPRESSURE: 2732400 -233.415 -169.107 -155.618 -239.233 141.794 119.06 -152.561 53.6085 -31.2871 PRESSAVG: 2732400 -1.27486 7.85959 -19.8991 7.85962 -5.49443 7.13204 -19.8991 7.13211 -0.45368 GPRESSAVG: 2732400 -2.32851 8.89516 -21.7379 6.56712 -3.66254 6.73798 -18.5705 8.75204 -0.918524 TIMING: 2732400 CPU: 8232.34, 0.00303295/step Wall: 8232.34, 0.00303295/step, 1.91042 hours remaining, 210.808594 MB of memory in use. ENERGY: 2732400 726.2191 2090.8499 1931.0322 100.4968 -206011.6186 17571.9013 0.0000 0.0000 34303.9615 -149287.1577 299.5850 -183591.1192 -149184.0819 299.4156 -73.5032 -40.9695 557907.0853 -2.4077 -2.3032 PRESSURE: 2732600 -49.5788 115.958 25.0459 115.959 -82.2289 -80.2392 25.046 -80.2382 -43.8393 GPRESSURE: 2732600 -31.1484 151.496 45.8575 -96.9631 -48.0252 -92.76 -32.9521 -83.4098 12.5706 PRESSAVG: 2732600 -32.2844 -39.4329 -19.5327 -39.4328 -4.15763 -82.6374 -19.5327 -82.6373 -11.3134 GPRESSAVG: 2732600 -31.7259 -40.0897 -17.7772 -38.2453 -5.94668 -80.6407 -20.4007 -84.8611 -10.1013 TIMING: 2732600 CPU: 8232.93, 0.00297157/step Wall: 8232.93, 0.00297157/step, 1.87159 hours remaining, 210.917969 MB of memory in use. ENERGY: 2732600 771.7103 2076.2327 1938.3673 115.2185 -206610.0178 17933.9504 0.0000 0.0000 34346.6375 -149427.9011 299.9577 -183774.5386 -149329.4641 298.9476 -58.5490 -22.2010 557630.9482 -15.9185 -15.9246 PRESSURE: 2732800 -137.927 -165.842 21.17 -165.841 -100.424 185.583 21.1711 185.582 281.17 GPRESSURE: 2732800 -82.9608 -172.949 -82.6044 -168.659 -56.8636 121.138 58.1497 196.936 281.578 PRESSAVG: 2732800 34.7075 -60.1271 -43.325 -60.1272 -38.0268 22.2011 -43.3249 22.2011 48.7613 GPRESSAVG: 2732800 34.8705 -60.948 -44.9541 -58.2589 -37.5535 20.0049 -41.562 22.9617 48.7648 TIMING: 2732800 CPU: 8233.53, 0.00297911/step Wall: 8233.53, 0.00297911/step, 1.87618 hours remaining, 210.917969 MB of memory in use. ENERGY: 2732800 741.3533 2116.6123 1932.5444 109.2016 -206586.6459 17966.5287 0.0000 0.0000 34275.4703 -149444.9352 299.3362 -183720.4055 -149347.3807 298.7779 14.2731 47.2510 558101.5601 15.1473 15.3606 PRESSURE: 2733000 53.6721 -27.8489 -46.7181 -27.8483 6.11274 -53.3707 -46.7166 -53.3719 358.842 GPRESSURE: 2733000 70.1278 52.1409 14.4761 -37.7637 54.7657 -109.568 -34.1437 -18.0218 398.139 PRESSAVG: 2733000 -48.5301 -4.59538 -65.4669 -4.59533 -12.5562 -4.90091 -65.4669 -4.90094 65.3645 GPRESSAVG: 2733000 -48.7742 -2.96274 -64.3051 -5.1402 -10.9632 -5.404 -64.9357 -4.19048 64.2813 TIMING: 2733000 CPU: 8234.13, 0.00300355/step Wall: 8234.13, 0.00300355/step, 1.8914 hours remaining, 210.917969 MB of memory in use. ENERGY: 2733000 725.4284 2036.2941 1939.0995 96.3709 -206359.2161 17989.7154 0.0000 0.0000 34021.5283 -149550.7794 297.1185 -183572.3077 -149456.1347 298.3859 139.5422 174.3442 557890.6724 1.4261 1.5146 PRESSURE: 2733200 89.5655 85.1196 36.7062 85.1193 236.555 -93.851 36.7064 -93.8512 347.905 GPRESSURE: 2733200 62.9222 62.3612 -32.5546 87.9061 359.045 -77.4449 21.9301 -82.9388 343.906 PRESSAVG: 2733200 -70.4207 15.8432 -54.988 15.8432 27.145 -24.3437 -54.9881 -24.3437 57.1264 GPRESSAVG: 2733200 -70.023 18.1154 -56.6432 11.6451 26.5605 -24.1967 -57.4763 -26.07 56.8501 TIMING: 2733200 CPU: 8234.73, 0.00299262/step Wall: 8234.73, 0.00299262/step, 1.88435 hours remaining, 210.917969 MB of memory in use. ENERGY: 2733200 711.8856 2089.7915 1937.1996 106.1035 -206631.2691 18198.4321 0.0000 0.0000 34056.8527 -149531.0041 297.4270 -183587.8568 -149429.5619 298.7583 224.6751 255.2909 557889.9968 4.6169 4.4625 PRESSURE: 2733400 91.8099 66.7607 76.0126 66.7607 137.879 75.8748 76.0118 75.8754 258.093 GPRESSURE: 2733400 127.916 2.40499 122.352 81.5374 218.031 97.4422 72.2122 114.458 234.696 PRESSAVG: 2733400 1.65844 18.8922 -2.21437 18.8922 -26.7875 -23.5414 -2.21444 -23.5413 41.1621 GPRESSAVG: 2733400 2.49889 15.0296 -0.0308867 23.9894 -28.2769 -23.6974 -2.14733 -21.0562 41.4036 TIMING: 2733400 CPU: 8235.32, 0.00295878/step Wall: 8235.32, 0.00295878/step, 1.86288 hours remaining, 210.917969 MB of memory in use. ENERGY: 2733400 690.2209 2131.5886 1925.8824 114.0580 -206468.6033 17990.3112 0.0000 0.0000 34046.4965 -149570.0457 297.3365 -183616.5422 -149478.4107 298.2573 162.5940 193.5476 556371.4146 5.3443 5.2085 PRESSURE: 2733600 -322.649 0.539568 88.1987 0.539295 -137.791 -39.1514 88.1994 -39.1508 76.3579 GPRESSURE: 2733600 -344.139 9.5869 119.623 14.5864 -101.207 -5.24982 164.848 -105.755 156.466 PRESSAVG: 2733600 -152.132 -30.7275 90.9479 -30.7276 32.3892 -9.63226 90.948 -9.63218 107.105 GPRESSAVG: 2733600 -152.713 -29.5439 90.5272 -30.3875 32.0742 -8.24691 92.1256 -11.6459 107.223 TIMING: 2733600 CPU: 8235.93, 0.00302232/step Wall: 8235.93, 0.00302232/step, 1.90272 hours remaining, 210.917969 MB of memory in use. ENERGY: 2733600 768.7638 2147.2240 1917.1014 109.6533 -206061.3285 17660.1932 0.0000 0.0000 34019.3505 -149439.0423 297.0994 -183458.3928 -149347.8100 298.6283 -128.0275 -96.2932 558223.3552 -4.2126 -4.4721 PRESSURE: 2733800 -171.24 -29.4286 17.4862 -29.4287 -212.76 139.694 17.4858 139.694 131.59 GPRESSURE: 2733800 -109.47 -123.428 2.36483 86.9119 -180.093 122.385 35.2384 141.346 122.538 PRESSAVG: 2733800 -63.1525 6.41925 29.1521 6.41926 -29.645 -45.1321 29.1521 -45.132 100.032 GPRESSAVG: 2733800 -64.594 5.86729 27.4949 5.89862 -28.3018 -46.1441 30.7462 -45.2571 99.6653 TIMING: 2733800 CPU: 8236.53, 0.00302562/step Wall: 8236.53, 0.00302562/step, 1.90463 hours remaining, 210.917969 MB of memory in use. ENERGY: 2733800 762.0723 2078.4139 1936.9559 102.4819 -206084.0412 17672.9729 0.0000 0.0000 34195.6671 -149335.4773 298.6393 -183531.1444 -149239.6298 298.5426 -84.1368 -55.6751 557445.3855 2.4115 2.2565 PRESSURE: 2734000 -327.607 -36.5081 107.534 -36.507 24.7258 51.0622 107.535 51.0625 -11.8325 GPRESSURE: 2734000 -231.663 -25.459 198.832 -63.7756 52.3815 100.759 96.4578 11.7072 -35.0283 PRESSAVG: 2734000 -19.9843 44.0646 36.237 44.0647 -7.57263 23.7753 36.237 23.7753 51.9438 GPRESSAVG: 2734000 -19.5175 44.7403 36.3167 44.3037 -7.94309 24.9007 34.8597 22.0148 51.4083 TIMING: 2734000 CPU: 8237.14, 0.00302998/step Wall: 8237.14, 0.00302998/step, 1.90721 hours remaining, 210.917969 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: 2734000 756.7965 2055.6398 1922.7397 109.0588 -206248.1832 17770.8273 0.0000 0.0000 34389.8050 -149243.3159 300.3347 -183633.1209 -149147.9277 300.1112 -104.9045 -71.4365 557723.1341 8.1290 7.9826 PRESSURE: 2734200 -19.0287 -14.9409 -177.874 -14.9403 21.6055 119.148 -177.875 119.147 -185.084 GPRESSURE: 2734200 0.117758 54.3877 -243.13 18.8616 64.1862 41.674 -75.6562 139.893 -151.503 PRESSAVG: 2734200 -42.1771 4.76166 16.8707 4.76163 -44.2392 1.15804 16.8706 1.15819 14.403 GPRESSAVG: 2734200 -41.7352 6.34288 16.8013 3.64697 -45.7694 -0.672816 18.8612 3.17027 14.7089 TIMING: 2734200 CPU: 8237.75, 0.00304245/step Wall: 8237.75, 0.00304245/step, 1.91489 hours remaining, 210.917969 MB of memory in use. ENERGY: 2734200 807.6960 2068.7290 1950.5404 133.8533 -206427.3105 17885.4057 0.0000 0.0000 34432.7366 -149148.3495 300.7097 -183581.0861 -149048.4679 299.8503 -60.8358 -29.0664 556818.0667 -24.0044 -24.2652 PRESSURE: 2734400 140.316 -51.8797 140.095 -51.8808 -11.5794 -68.7818 140.094 -68.7826 -84.8708 GPRESSURE: 2734400 132.98 3.54502 209.08 -121.456 53.0547 -50.8069 109.309 -80.7358 -55.7342 PRESSAVG: 2734400 -64.7184 -25.1417 84.3506 -25.1417 29.3822 -24.2324 84.3505 -24.2325 38.5784 GPRESSAVG: 2734400 -66.3181 -27.8566 84.4521 -25.6295 31.1081 -25.4307 82.9001 -24.159 38.6868 TIMING: 2734400 CPU: 8238.34, 0.00299231/step Wall: 8238.34, 0.00299231/step, 1.88316 hours remaining, 210.917969 MB of memory in use. ENERGY: 2734400 788.5743 2109.2482 1935.9774 105.7248 -205828.3285 17728.7058 0.0000 0.0000 34172.6818 -148987.4162 298.4385 -183160.0980 -148895.9492 300.1748 14.6218 43.4336 557821.9955 1.0807 1.1589 PRESSURE: 2734600 -296.254 208.747 -33.3249 208.748 -259.752 142.146 -33.3249 142.146 -207.411 GPRESSURE: 2734600 -225.92 160.989 -31.2933 215.248 -205.55 83.7475 25.636 68.2915 -242.024 PRESSAVG: 2734600 -29.2276 -23.8949 5.04874 -23.8948 3.10331 33.1781 5.0487 33.178 1.76779 GPRESSAVG: 2734600 -28.2882 -21.7545 5.18619 -25.4048 3.12918 32.7451 6.62973 32.9203 0.184918 TIMING: 2734600 CPU: 8238.95, 0.00302634/step Wall: 8238.95, 0.00302634/step, 1.90441 hours remaining, 210.917969 MB of memory in use. ENERGY: 2734600 796.6111 2055.5175 1933.2621 120.8980 -205534.6641 17318.5769 0.0000 0.0000 34342.0032 -148967.7954 299.9173 -183309.7985 -148875.7694 299.5863 -254.4723 -224.4981 559117.9617 -8.1188 -8.3247 PRESSURE: 2734800 -72.7554 204.936 206.932 204.936 -213.704 173.65 206.931 173.65 22.9783 GPRESSURE: 2734800 -36.3714 183.206 124.732 174.633 -169.681 242.976 271.856 206.535 37.2137 PRESSAVG: 2734800 22.0673 40.1078 76.1983 40.1078 -1.7352 8.53617 76.1983 8.53616 0.794464 GPRESSAVG: 2734800 21.4545 40.4823 75.8223 41.4275 -1.63081 8.88462 75.4903 8.13088 0.604185 TIMING: 2734800 CPU: 8239.55, 0.00300492/step Wall: 8239.55, 0.00300492/step, 1.89077 hours remaining, 210.917969 MB of memory in use. ENERGY: 2734800 780.0765 2128.5138 1955.5503 107.1349 -206080.2744 17676.0041 0.0000 0.0000 34317.7861 -149115.2089 299.7058 -183432.9950 -149029.0110 299.4702 -87.8269 -56.2797 556553.6562 7.0422 6.8093 PRESSURE: 2735000 40.3914 -26.0931 -9.77767 -26.0943 -67.7395 159.608 -9.77799 159.607 -231.238 GPRESSURE: 2735000 100.183 12.9501 -5.68144 18.95 -51.6499 161.225 -46.4214 143.399 -206.87 PRESSAVG: 2735000 2.52154 8.77491 2.7845 8.77486 3.61883 27.735 2.78465 27.7351 -13.73 GPRESSAVG: 2735000 3.46916 7.43856 2.96276 9.66087 2.58497 28.6937 0.843609 28.7052 -13.8826 TIMING: 2735000 CPU: 8240.15, 0.00298112/step Wall: 8240.15, 0.00298112/step, 1.87562 hours remaining, 210.976562 MB of memory in use. ENERGY: 2735000 783.1926 2127.3281 1937.3219 126.6063 -206337.3468 17870.0455 0.0000 0.0000 34354.4767 -149138.3757 300.0262 -183492.8524 -149035.1296 299.6339 -86.1954 -52.7791 556353.8028 -2.5299 -2.6095 PRESSURE: 2735200 -389.036 -12.2629 -44.1351 -12.2626 -59.0258 44.4736 -44.1373 44.4753 -39.152 GPRESSURE: 2735200 -351.954 -28.6825 48.8986 -7.79507 -1.78719 -41.801 -117.745 79.7699 -41.5751 PRESSAVG: 2735200 -56.6457 42.0006 -24.463 42.0006 100.881 39.5491 -24.4631 39.5491 -29.4937 GPRESSAVG: 2735200 -57.4018 42.7131 -22.7694 40.9501 102.445 39.4366 -22.4891 39.441 -29.4373 TIMING: 2735200 CPU: 8240.74, 0.00295532/step Wall: 8240.74, 0.00295532/step, 1.85922 hours remaining, 210.976562 MB of memory in use. ENERGY: 2735200 766.6252 2076.3999 1945.4160 131.2639 -206013.2701 17641.8006 0.0000 0.0000 34349.4331 -149102.3313 299.9821 -183451.7645 -149008.0987 299.5948 -162.4046 -131.7720 556831.6842 4.9138 5.2018 PRESSURE: 2735400 54.4823 -83.4206 -0.00112867 -83.4212 -173.715 177.359 -0.000925961 177.36 102.283 GPRESSURE: 2735400 112.233 -41.3073 -38.631 -69.7437 -143.547 232.685 25.5488 118.297 106.119 PRESSAVG: 2735400 -20.9234 -16.7232 9.03614 -16.7231 76.4623 33.3461 9.03614 33.3461 -29.6821 GPRESSAVG: 2735400 -20.9072 -17.3014 7.47583 -16.4094 75.9834 34.3796 7.40755 33.2109 -29.3745 TIMING: 2735400 CPU: 8241.33, 0.00295506/step Wall: 8241.33, 0.00295506/step, 1.8589 hours remaining, 210.976562 MB of memory in use. ENERGY: 2735400 747.6524 2111.6231 1947.1938 111.2526 -206001.9551 17704.2096 0.0000 0.0000 34556.3618 -148823.6618 301.7893 -183380.0236 -148723.8665 300.1881 -5.6500 24.9352 558442.3273 8.6189 8.5672 PRESSURE: 2735600 -215.331 -48.6306 183.879 -48.6295 -21.1712 -99.1742 183.879 -99.1761 -72.0536 GPRESSURE: 2735600 -218.923 53.4156 189.315 -65.8497 -25.7404 -65.6727 183.205 -97.6582 25.2032 PRESSAVG: 2735600 24.1469 21.1299 63.4958 21.1301 52.2677 -3.83346 63.4959 -3.83344 -40.9819 GPRESSAVG: 2735600 25.4119 23.1339 63.929 19.726 51.1188 -3.57218 64.9364 -5.40627 -41.1405 TIMING: 2735600 CPU: 8241.92, 0.00293863/step Wall: 8241.92, 0.00293863/step, 1.8484 hours remaining, 210.976562 MB of memory in use. ENERGY: 2735600 800.0326 2141.1886 1959.7087 109.6942 -206216.7061 17805.3008 0.0000 0.0000 34429.8236 -148970.9576 300.6842 -183400.7812 -148876.6623 300.8059 -102.8520 -73.1535 559866.2119 11.8109 11.7967 PRESSURE: 2735800 -98.8753 -42.3188 36.8746 -42.3183 17.4083 -105.489 36.8748 -105.488 58.5506 GPRESSURE: 2735800 -104.839 -33.7647 -67.0576 -138.159 69.7051 -66.6916 13.1888 4.61803 109.475 PRESSAVG: 2735800 46.3421 -55.5057 -36.6547 -55.5057 -64.4634 43.5381 -36.6547 43.5382 23.2128 GPRESSAVG: 2735800 45.9356 -59.5596 -38.5078 -54.3119 -62.7906 44.7665 -36.0932 44.2428 22.1867 TIMING: 2735800 CPU: 8242.51, 0.00295919/step Wall: 8242.51, 0.00295919/step, 1.86117 hours remaining, 210.976562 MB of memory in use. ENERGY: 2735800 709.2210 2125.8790 1942.7109 123.2115 -206309.4805 17809.3230 0.0000 0.0000 34427.9242 -149171.2110 300.6676 -183599.1352 -149071.7372 299.6979 -7.6388 24.7803 557024.5866 1.6972 1.7772 PRESSURE: 2736000 69.0261 60.0287 83.7865 60.0295 15.4574 -50.807 83.7873 -50.8072 9.54682 GPRESSURE: 2736000 138.83 -13.5474 90.2029 81.469 13.2493 -80.5639 9.93846 -6.25047 45.0193 PRESSAVG: 2736000 25.5324 -31.0948 -27.4707 -31.0948 -4.69277 -28.4654 -27.4707 -28.4653 -10.934 GPRESSAVG: 2736000 25.3151 -29.2303 -23.628 -30.186 -4.91786 -30.0996 -29.1926 -27.5659 -10.1766 TIMING: 2736000 CPU: 8243.1, 0.00296898/step Wall: 8243.1, 0.00296898/step, 1.86716 hours remaining, 210.976562 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: 2736000 739.9114 2028.2742 1920.4343 117.0035 -205990.0938 17861.8481 0.0000 0.0000 34323.9096 -148998.7126 299.7592 -183322.6222 -148904.5233 299.0331 31.3435 65.6995 559363.6029 3.3019 3.4068 PRESSURE: 2736200 186.607 100.381 128.803 100.382 5.1953 -30.9049 128.803 -30.9047 122.875 GPRESSURE: 2736200 203.272 114.108 159.003 56.932 33.5448 2.37229 120.793 16.2387 169.176 PRESSAVG: 2736200 -17.6648 -35.9555 -10.6182 -35.9555 -38.4976 19.9539 -10.6181 19.9539 34.1548 GPRESSAVG: 2736200 -17.1696 -35.3943 -12.4095 -36.5178 -39.7682 19.6161 -9.61231 19.6852 34.5692 TIMING: 2736200 CPU: 8243.69, 0.00295234/step Wall: 8243.69, 0.00295234/step, 1.85653 hours remaining, 210.976562 MB of memory in use. ENERGY: 2736200 764.7358 2048.8824 1955.0200 109.5379 -206387.6607 18136.8327 0.0000 0.0000 34390.9712 -148981.6807 300.3449 -183372.6519 -148888.4637 299.4027 104.8923 135.3311 557348.0380 -7.3358 -7.4562 LDB: ============= START OF LOAD BALANCING ============== 8247.21 LDB: ============== END OF LOAD BALANCING =============== 8247.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8247.21 LDB: ============= START OF LOAD BALANCING ============== 8247.51 LDB: Largest compute 4772 load 0.025919 is 22.0% of average load 0.118015 LDB: Average compute 0.001729 is 1.5% of average load 0.118015 LDB: TIME 8247.51 LOAD: AVG 0.118015 MAX 0.20769 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.027 MB LDB: TIME 8247.51 LOAD: AVG 0.118015 MAX 0.20769 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.23 MB LDB: TIME 8247.51 LOAD: AVG 0.118015 MAX 0.20769 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.23 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8247.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8247.52 PRESSURE: 2736400 133.386 -38.6011 226.43 -38.6014 -241.778 44.0365 226.43 44.0356 21.8129 GPRESSURE: 2736400 176.185 0.168123 265.432 -143.017 -220.158 -17.517 180.969 115.613 51.1349 PRESSAVG: 2736400 11.8993 2.48095 -20.092 2.48098 -11.8641 46.1653 -20.092 46.1653 -15.1379 GPRESSAVG: 2736400 11.8095 1.44126 -22.1955 2.95924 -11.7145 45.8609 -18.5661 45.2743 -15.279 TIMING: 2736400 CPU: 8244.3, 0.00304305/step Wall: 8244.3, 0.00304305/step, 1.9134 hours remaining, 208.429688 MB of memory in use. ENERGY: 2736400 750.4703 2074.1809 1914.0251 114.0161 -205678.5171 17640.3530 0.0000 0.0000 34363.7110 -148821.7607 300.1068 -183185.4717 -148720.6265 300.0685 -28.8600 2.3874 556962.9254 -5.0342 -5.0613 PRESSURE: 2736600 -149.552 50.8528 36.2296 50.8535 -288.007 -38.887 36.23 -38.8856 -296.037 GPRESSURE: 2736600 -131.901 60.3008 -28.7853 61.1326 -203.715 -72.1804 83.9202 -80.4731 -305.453 PRESSAVG: 2736600 40.3382 2.22974 -33.4912 2.22973 -37.8935 2.54172 -33.4913 2.5417 -28.1446 GPRESSAVG: 2736600 40.6956 1.85162 -33.1534 1.72685 -38.545 2.48133 -36.1536 3.63698 -28.0872 TIMING: 2736600 CPU: 8244.9, 0.00298665/step Wall: 8244.9, 0.00298665/step, 1.87777 hours remaining, 208.632812 MB of memory in use. ENERGY: 2736600 774.4034 2081.5012 1916.2984 106.9065 -205798.1846 17434.1679 0.0000 0.0000 34532.1805 -148952.7268 301.5781 -183484.9073 -148854.8958 300.6155 -244.5323 -213.6898 556584.2177 -8.5667 -8.6455 PRESSURE: 2736800 -39.1533 -129.753 151.593 -129.754 -221.985 -55.9284 151.593 -55.9298 -0.619248 GPRESSURE: 2736800 -34.6943 -110.653 131.89 -155.159 -167.857 -70.0839 172.411 -58.5574 45.1883 PRESSAVG: 2736800 34.2453 8.4837 8.61449 8.48369 -72.1753 0.917272 8.61448 0.917223 71.4218 GPRESSAVG: 2736800 33.422 11.467 10.3694 8.38637 -71.0842 0.403445 11.6553 1.63488 70.871 TIMING: 2736800 CPU: 8245.5, 0.00302821/step Wall: 8245.5, 0.00302821/step, 1.90374 hours remaining, 208.632812 MB of memory in use. ENERGY: 2736800 745.1256 2090.2168 1946.2129 121.9551 -205904.6645 17819.9237 0.0000 0.0000 34389.7458 -148791.4846 300.3342 -183181.2304 -148700.4750 300.7572 -87.2525 -52.4543 558654.8510 11.1639 11.0696 PRESSURE: 2737000 -177.229 -20.7896 69.9421 -20.7887 -203.517 -117.078 69.9422 -117.078 -167.04 GPRESSURE: 2737000 -132.608 -53.7593 64.831 36.6969 -201.12 -111.896 41.1027 -4.59425 -104.139 PRESSAVG: 2737000 -3.26385 -19.4692 26.3166 -19.4692 -17.4236 -31.2831 26.3167 -31.2831 3.36441 GPRESSAVG: 2737000 -3.98964 -20.7579 28.4071 -19.8062 -17.1018 -31.5924 23.2507 -32.0921 3.98768 TIMING: 2737000 CPU: 8246.11, 0.00300844/step Wall: 8246.11, 0.00300844/step, 1.89114 hours remaining, 208.632812 MB of memory in use. ENERGY: 2737000 750.9971 2113.5523 1914.3734 127.6740 -205704.2394 17623.1586 0.0000 0.0000 34174.7115 -148999.7725 298.4563 -183174.4840 -148902.8557 300.8635 -182.5955 -145.9556 559385.9520 -5.7744 -5.7012 PRESSURE: 2737200 -440.104 67.3133 152.909 67.3137 -290.66 113.33 152.909 113.331 -103.823 GPRESSURE: 2737200 -324.638 52.277 96.0915 106.252 -308.45 55.9681 171.939 163.02 -98.6448 PRESSAVG: 2737200 34.3895 29.4555 6.46519 29.4555 53.9341 -18.5302 6.46528 -18.5301 -39.3428 GPRESSAVG: 2737200 36.0449 29.9275 5.66304 29.8769 53.4118 -18.4033 6.28022 -17.8978 -40.1667 TIMING: 2737200 CPU: 8246.7, 0.00299524/step Wall: 8246.7, 0.00299524/step, 1.88267 hours remaining, 208.632812 MB of memory in use. ENERGY: 2737200 776.4553 2154.5497 1923.5152 114.8782 -205808.3591 17432.5794 0.0000 0.0000 34373.9379 -149032.4433 300.1961 -183406.3812 -148935.0693 299.9330 -278.1957 -243.9111 557560.1444 16.3270 16.4300 PRESSURE: 2737400 -60.3349 7.86842 21.5055 7.86957 -55.9803 -17.4948 21.5054 -17.4953 -99.8912 GPRESSURE: 2737400 -38.2044 28.6399 35.451 24.8843 20.0943 -52.2503 9.91594 40.2344 -105.523 PRESSAVG: 2737400 34.4024 37.0312 56.9184 37.0311 -7.69679 -5.84669 56.9184 -5.8467 -9.81282 GPRESSAVG: 2737400 33.287 36.7539 56.311 35.9313 -7.38564 -3.86731 56.783 -7.40999 -9.20306 TIMING: 2737400 CPU: 8247.31, 0.00302058/step Wall: 8247.31, 0.00302058/step, 1.89844 hours remaining, 208.632812 MB of memory in use. ENERGY: 2737400 757.6823 2053.3804 1943.2691 126.3557 -205784.8397 17528.5002 0.0000 0.0000 34422.2358 -148953.4162 300.6179 -183375.6520 -148851.1956 299.9066 -72.0688 -41.2111 556839.9211 5.6309 5.5661 PRESSURE: 2737600 -54.7542 -23.2351 5.42499 -23.2352 -329.552 -77.2255 5.42371 -77.2255 2.90919 GPRESSURE: 2737600 -82.6798 17.181 5.24126 -50.6888 -278.31 24.7537 -45.3647 -225.559 89.3074 PRESSAVG: 2737600 -18.8637 -26.4379 -34.7817 -26.4379 -68.8433 4.32557 -34.7817 4.32554 67.8386 GPRESSAVG: 2737600 -18.1458 -25.1384 -36.0892 -25.0516 -68.7634 2.77083 -34.19 6.96599 66.5179 TIMING: 2737600 CPU: 8247.91, 0.00299804/step Wall: 8247.91, 0.00299804/step, 1.8841 hours remaining, 208.632812 MB of memory in use. ENERGY: 2737600 756.5835 2038.1706 1938.8468 113.4393 -205869.4418 17677.9839 0.0000 0.0000 34445.1346 -148899.2831 300.8179 -183344.4177 -148800.0367 300.3549 -127.1322 -90.5608 558975.0209 -6.6228 -6.7971 PRESSURE: 2737800 -44.4238 -18.2146 243.238 -18.216 81.2573 -51.6827 243.239 -51.681 141.887 GPRESSURE: 2737800 -6.08843 1.44851 271.007 -88.1137 95.439 -24.761 258.906 -64.6636 174.008 PRESSAVG: 2737800 -26.089 -44.7867 -20.1223 -44.7867 -62.8975 -18.4298 -20.1223 -18.4299 61.2183 GPRESSAVG: 2737800 -26.7502 -45.5841 -18.4885 -45.0569 -63.6577 -15.9708 -19.3729 -20.8199 62.8335 TIMING: 2737800 CPU: 8248.51, 0.002986/step Wall: 8248.51, 0.002986/step, 1.87637 hours remaining, 208.632812 MB of memory in use. ENERGY: 2737800 727.1749 2087.4290 1937.3774 114.2130 -206162.7307 17795.1013 0.0000 0.0000 34582.5630 -148918.8722 302.0181 -183501.4352 -148824.4433 300.5050 59.5734 87.7862 557446.7716 -9.2560 -9.1915 PRESSURE: 2738000 13.395 75.6241 -38.0869 75.6235 -78.9869 -29.9207 -38.0861 -29.9196 -7.57267 GPRESSURE: 2738000 51.8804 63.214 28.7975 54.2315 1.05301 -99.5373 -124.469 4.30006 -10.9146 PRESSAVG: 2738000 27.1501 -37.1984 -56.3009 -37.1985 17.0247 -20.85 -56.3009 -20.85 -21.0185 GPRESSAVG: 2738000 26.5393 -37.5469 -56.3859 -37.3702 18.3669 -22.9651 -55.6415 -20.6623 -21.7326 TIMING: 2738000 CPU: 8249.1, 0.00296536/step Wall: 8249.1, 0.00296536/step, 1.86324 hours remaining, 208.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2738000 700.6489 2079.6363 1943.7560 106.1428 -205903.7338 17608.7249 0.0000 0.0000 34461.7448 -149003.0801 300.9630 -183464.8250 -148899.2990 300.5091 -24.3882 14.0063 557384.2652 7.7187 7.7246 PRESSURE: 2738200 -106.609 -120.632 -49.044 -120.631 -341.368 133.944 -49.0435 133.943 -325.342 GPRESSURE: 2738200 -65.8273 -155.816 -52.1388 -76.3343 -362.648 133.59 -15.0632 55.6462 -252.436 PRESSAVG: 2738200 34.4742 1.45079 60.2125 1.45075 50.4076 30.3818 60.2125 30.3818 -44.4468 GPRESSAVG: 2738200 35.8473 0.96055 59.5254 2.69445 48.338 31.488 60.6671 30.2458 -43.7091 TIMING: 2738200 CPU: 8249.7, 0.00299835/step Wall: 8249.7, 0.00299835/step, 1.88379 hours remaining, 208.632812 MB of memory in use. ENERGY: 2738200 742.8404 2123.1026 1914.3790 123.3312 -205724.1114 17472.3471 0.0000 0.0000 34222.5492 -149125.5619 298.8740 -183348.1112 -149023.6502 300.3415 -257.7732 -226.9705 557803.6606 13.4783 13.4921 PRESSURE: 2738400 -371.553 160.288 41.2911 160.289 -97.4925 70.0218 41.2896 70.0225 -360.305 GPRESSURE: 2738400 -339.374 72.8089 124.558 116.999 -131.338 133.289 26.6807 88.9739 -262.873 PRESSAVG: 2738400 30.554 -1.35844 0.672436 -1.35837 19.3103 78.2005 0.672442 78.2006 -10.5927 GPRESSAVG: 2738400 30.2 0.0911759 -0.874996 -3.00766 19.739 79.5543 -1.05527 76.4424 -10.7417 TIMING: 2738400 CPU: 8250.3, 0.00302285/step Wall: 8250.3, 0.00302285/step, 1.89902 hours remaining, 208.632812 MB of memory in use. ENERGY: 2738400 754.6849 2097.5186 1937.6468 119.8527 -205799.6081 17409.7641 0.0000 0.0000 34299.5405 -149180.6006 299.5464 -183480.1411 -149081.8795 300.3288 -276.4503 -244.5281 557590.4129 13.0906 13.0658 PRESSURE: 2738600 -21.769 45.9815 -133.333 45.982 -54.466 -102.332 -133.333 -102.332 62.9763 GPRESSURE: 2738600 74.9741 40.1877 -84.5404 83.4613 -3.13315 -66.8743 -51.9048 -159.756 21.5065 PRESSAVG: 2738600 -30.7738 -8.2428 -5.98654 -8.24281 -22.0579 39.7968 -5.98647 39.797 26.2512 GPRESSAVG: 2738600 -30.9045 -8.63182 -4.01854 -8.18795 -22.3837 38.6815 -4.28035 42.0155 26.8846 TIMING: 2738600 CPU: 8250.91, 0.00301817/step Wall: 8250.91, 0.00301817/step, 1.89591 hours remaining, 208.632812 MB of memory in use. ENERGY: 2738600 726.8412 2093.1944 1919.9647 123.2712 -205908.5636 17789.5670 0.0000 0.0000 33950.9851 -149304.7399 296.5024 -183255.7250 -149209.9444 299.3701 -4.4196 31.1158 557376.5137 -8.8602 -8.8012 PRESSURE: 2738800 -136.184 80.3581 -198.864 80.3578 -250.505 -4.59577 -198.864 -4.59571 24.5194 GPRESSURE: 2738800 -136.09 120.106 -85.4533 1.03839 -203.962 36.5815 -221.91 -86.2555 76.7376 PRESSAVG: 2738800 32.258 56.7104 -28.0952 56.7102 6.93877 -16.9973 -28.0952 -16.9974 6.5752 GPRESSAVG: 2738800 30.7267 57.6695 -29.5438 57.6659 7.39455 -14.8078 -29.391 -20.0756 7.74972 TIMING: 2738800 CPU: 8251.51, 0.00301457/step Wall: 8251.51, 0.00301457/step, 1.89348 hours remaining, 208.632812 MB of memory in use. ENERGY: 2738800 739.7425 2067.2222 1936.6493 120.9096 -205955.3908 17625.3205 0.0000 0.0000 34106.5515 -149358.9953 297.8610 -183465.5468 -149260.6637 298.8466 -120.7230 -87.7715 557677.3918 15.2573 15.2903 PRESSURE: 2739000 -46.1227 -72.5582 -65.6827 -72.557 -136.004 98.7696 -65.6812 98.7689 -112.268 GPRESSURE: 2739000 9.34258 -25.7002 -25.9418 -138.453 -154.864 62.7747 -226.689 84.926 -57.3779 PRESSAVG: 2739000 -11.3849 -7.58978 15.1576 -7.58975 8.20164 -36.9812 15.1576 -36.9813 20.2388 GPRESSAVG: 2739000 -9.65351 -7.10243 16.0744 -8.53918 7.57464 -41.5486 14.0052 -31.0631 18.4217 TIMING: 2739000 CPU: 8252.11, 0.00300166/step Wall: 8252.11, 0.00300166/step, 1.88521 hours remaining, 208.632812 MB of memory in use. ENERGY: 2739000 729.6660 2076.7484 1919.1332 121.5351 -206087.7301 17581.4066 0.0000 0.0000 34242.0229 -149417.2178 299.0441 -183659.2407 -149325.5419 298.8955 -98.1316 -67.6330 557020.4099 5.6852 5.4476 PRESSURE: 2739200 -40.8483 -35.3625 -105.414 -35.3642 -279.284 3.1619 -105.414 3.16204 -275.739 GPRESSURE: 2739200 -23.6846 0.904069 -133.13 -65.6004 -263.118 0.38679 -31.2793 60.5667 -229.735 PRESSAVG: 2739200 -24.5571 -63.4876 0.294994 -63.4875 -15.0839 0.795806 0.294993 0.795909 46.7937 GPRESSAVG: 2739200 -25.0613 -64.8206 0.165573 -63.3782 -15.0496 2.73596 2.55948 -1.58495 47.1529 TIMING: 2739200 CPU: 8252.71, 0.0029929/step Wall: 8252.71, 0.0029929/step, 1.87954 hours remaining, 208.757812 MB of memory in use. ENERGY: 2739200 764.7391 2086.8915 1933.9131 108.0236 -205874.4108 17459.9586 0.0000 0.0000 34024.3708 -149496.5141 297.1433 -183520.8850 -149399.1208 298.7493 -198.6240 -172.1791 556334.5401 2.3842 2.3473 PRESSURE: 2739400 -25.0851 70.0053 -207.366 70.0063 -154.291 -77.6293 -207.365 -77.6281 -18.059 GPRESSURE: 2739400 23.4022 6.83472 -255.299 112.257 -190.049 -54.3059 -191.996 -27.8179 62.2423 PRESSAVG: 2739400 24.5811 16.1361 38.8203 16.1362 5.6837 10.5667 38.8203 10.5668 -32.4467 GPRESSAVG: 2739400 23.3915 15.295 37.4398 17.4612 5.32255 9.98044 38.5539 10.9421 -31.5956 TIMING: 2739400 CPU: 8253.31, 0.00301167/step Wall: 8253.31, 0.00301167/step, 1.89116 hours remaining, 208.757812 MB of memory in use. ENERGY: 2739400 750.0617 2052.2726 1909.1153 114.5445 -206076.5040 17732.8399 0.0000 0.0000 34044.2649 -149473.4051 297.3170 -183517.6700 -149374.1972 297.8204 -65.8118 -34.8015 556877.1787 -0.7273 -0.9605 PRESSURE: 2739600 -49.5741 51.2895 56.3861 51.2895 7.61174 -40.9742 56.3847 -40.9763 -21.0489 GPRESSURE: 2739600 4.71512 84.2043 80.7296 72.2985 84.7784 27.6463 100.089 -62.8275 -82.0535 PRESSAVG: 2739600 11.6893 0.143477 -18.5522 0.143355 -13.4549 42.6753 -18.5522 42.6753 50.8364 GPRESSAVG: 2739600 12.2362 0.412888 -16.6257 0.550523 -12.5028 43.3978 -17.7846 42.3087 49.2283 TIMING: 2739600 CPU: 8253.91, 0.0030139/step Wall: 8253.91, 0.0030139/step, 1.89239 hours remaining, 208.757812 MB of memory in use. ENERGY: 2739600 731.7973 2074.7690 1913.2354 108.2522 -206016.1598 17698.0550 0.0000 0.0000 34185.9105 -149304.1403 298.5541 -183490.0508 -149210.1478 298.6370 -21.0038 2.4800 557867.3509 16.3569 16.3205 PRESSURE: 2739800 -202.176 133.304 -75.3366 133.304 -322.905 -11.2019 -75.3354 -11.2026 -78.7865 GPRESSURE: 2739800 -183.351 82.0036 -8.45431 95.0134 -272.533 -16.7859 -104.281 -33.0493 -41.4476 PRESSAVG: 2739800 29.0422 56.5139 14.9629 56.514 -56.2627 12.2028 14.9628 12.2027 50.3321 GPRESSAVG: 2739800 28.5576 56.6402 12.8025 55.9641 -56.3611 11.8264 14.8343 11.2968 50.5498 TIMING: 2739800 CPU: 8254.51, 0.00297798/step Wall: 8254.51, 0.00297798/step, 1.86967 hours remaining, 208.757812 MB of memory in use. ENERGY: 2739800 769.1451 2041.4185 1925.3490 118.4392 -205942.6094 17516.5110 0.0000 0.0000 34265.6087 -149306.1380 299.2501 -183571.7467 -149209.4201 299.4454 -201.2892 -165.7771 556762.2011 7.7039 7.5821 PRESSURE: 2740000 -180.419 -14.3152 -215.802 -14.3154 -39.7103 -75.8233 -215.803 -75.8232 -166.936 GPRESSURE: 2740000 -140.85 5.56789 -178.812 -127.686 -3.7109 -12.5361 -206.475 -33.3742 -114.091 PRESSAVG: 2740000 55.9962 -58.0656 66.6249 -58.0656 -44.6582 40.039 66.6249 40.039 -15.7675 GPRESSAVG: 2740000 58.3456 -56.9671 67.7604 -58.4349 -45.1735 39.0285 67.9832 40.9292 -16.8924 TIMING: 2740000 CPU: 8255.1, 0.00297776/step Wall: 8255.1, 0.00297776/step, 1.86937 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: 2740000 754.1079 2092.1279 1911.2184 124.9175 -205609.1094 17522.0799 0.0000 0.0000 34150.9511 -149053.7067 298.2488 -183204.6578 -148953.0501 299.7338 -129.0217 -86.2175 556576.3914 -1.4765 -1.2401 PRESSURE: 2740200 163.693 27.5428 -88.4609 27.54 23.0586 -131.961 -88.4607 -131.962 35.5431 GPRESSURE: 2740200 172.453 12.637 -2.57853 -29.839 42.6985 -98.7052 -185.718 -266.791 92.7858 PRESSAVG: 2740200 0.534866 -1.79144 14.5708 -1.79143 -3.39071 -13.7229 14.5709 -13.7229 4.02395 GPRESSAVG: 2740200 -0.724126 -3.20638 14.1195 0.445855 -4.05416 -11.8888 12.7207 -14.9196 6.18715 TIMING: 2740200 CPU: 8255.7, 0.002987/step Wall: 8255.7, 0.002987/step, 1.87501 hours remaining, 208.757812 MB of memory in use. ENERGY: 2740200 717.4469 2069.2384 1926.7963 119.2258 -206004.6054 17761.2112 0.0000 0.0000 34505.2033 -148905.4836 301.3425 -183410.6869 -148811.8038 300.3181 74.0983 102.6458 558316.5183 0.3894 0.4696 LDB: ============= START OF LOAD BALANCING ============== 8259.21 LDB: ============== END OF LOAD BALANCING =============== 8259.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8259.22 LDB: ============= START OF LOAD BALANCING ============== 8259.51 LDB: Largest compute 4772 load 0.028093 is 23.8% of average load 0.118086 LDB: Average compute 0.001738 is 1.5% of average load 0.118086 LDB: TIME 8259.52 LOAD: AVG 0.118086 MAX 0.205078 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.969 MB LDB: TIME 8259.52 LOAD: AVG 0.118086 MAX 0.205078 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.996 MB LDB: TIME 8259.52 LOAD: AVG 0.118086 MAX 0.205078 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.996 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8259.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8259.52 PRESSURE: 2740400 29.3028 -24.4562 74.832 -24.4559 99.4189 -115.782 74.8329 -115.781 312.491 GPRESSURE: 2740400 41.5057 -36.4362 40.6608 -31.5425 196.406 -166.765 82.4411 -140.608 294.471 PRESSAVG: 2740400 -37.7099 -27.6363 -35.945 -27.6363 -43.2822 -48.4578 -35.945 -48.4576 74.9754 GPRESSAVG: 2740400 -37.2811 -29.2642 -35.9464 -28.4776 -42.1764 -48.8493 -37.3661 -47.7956 73.6225 TIMING: 2740400 CPU: 8256.31, 0.00301655/step Wall: 8256.31, 0.00301655/step, 1.89339 hours remaining, 209.710938 MB of memory in use. ENERGY: 2740400 761.5062 2116.9647 1924.7496 108.3444 -206360.2999 18159.2031 0.0000 0.0000 34428.9477 -148860.5841 300.6766 -183289.5319 -148765.4344 299.8372 147.0709 177.4608 558283.5911 -2.0055 -1.9450 PRESSURE: 2740600 307.064 -73.7404 -65.7661 -73.7387 200.504 27.1158 -65.7656 27.1162 192.651 GPRESSURE: 2740600 305.642 -46.4976 0.208077 -119.087 227.984 16.4318 -34.9908 -48.52 271.52 PRESSAVG: 2740600 -18.7135 -29.9771 28.6946 -29.9772 -32.8627 -15.133 28.6946 -15.133 41.2625 GPRESSAVG: 2740600 -20.1916 -27.9452 29.7112 -31.213 -31.3474 -16.8604 30.9145 -13.2089 41.3495 TIMING: 2740600 CPU: 8256.9, 0.00299292/step Wall: 8256.9, 0.00299292/step, 1.87839 hours remaining, 209.914062 MB of memory in use. ENERGY: 2740600 697.3940 2048.3315 1936.5585 123.6934 -206207.7737 18213.1076 0.0000 0.0000 34344.9198 -148843.7690 299.9427 -183188.6887 -148740.8653 300.1268 233.4062 268.3820 558673.3947 -3.4379 -3.3965 PRESSURE: 2740800 -4.72407 12.5332 21.6101 12.5327 -112.805 -59.3529 21.609 -59.3532 139.545 GPRESSURE: 2740800 33.8346 -39.7468 66.0382 60.2679 -110.186 -28.8197 -19.9966 -97.7553 206.689 PRESSAVG: 2740800 41.0245 22.736 -6.58461 22.7359 -12.1714 8.88181 -6.58459 8.88183 32.2351 GPRESSAVG: 2740800 41.3005 20.3249 -7.81302 25.3828 -12.8781 8.72959 -7.78641 7.92836 32.5164 TIMING: 2740800 CPU: 8257.5, 0.00297446/step Wall: 8257.5, 0.00297446/step, 1.86664 hours remaining, 209.914062 MB of memory in use. ENERGY: 2740800 735.2080 2048.7359 1945.6290 114.7027 -205840.5740 17738.2749 0.0000 0.0000 34315.0104 -148943.0130 299.6815 -183258.0234 -148846.6522 300.8140 7.3384 43.4458 557990.0178 20.3628 20.3129 PRESSURE: 2741000 -194.1 -89.8074 101.834 -89.8072 168.452 -57.0696 101.835 -57.0709 43.649 GPRESSURE: 2741000 -105.073 -46.1319 139.854 -78.8877 210.045 -43.9359 102.003 -49.8498 15.2932 PRESSAVG: 2741000 31.7578 -7.36307 -57.506 -7.36306 -42.6903 11.6138 -57.5059 11.6137 27.9413 GPRESSAVG: 2741000 32.81 -4.23346 -56.4957 -8.86049 -44.3008 14.07 -57.7252 10.1806 28.5306 TIMING: 2741000 CPU: 8258.09, 0.00297252/step Wall: 8258.09, 0.00297252/step, 1.86525 hours remaining, 209.914062 MB of memory in use. ENERGY: 2741000 729.5878 2101.9083 1947.1161 105.8117 -206029.0130 17782.6173 0.0000 0.0000 34255.7908 -149106.1810 299.1643 -183361.9718 -149010.5648 299.5748 6.0002 40.0884 557383.5773 5.6696 5.6799 PRESSURE: 2741200 195.821 23.1239 98.7093 23.123 34.5789 54.838 98.7095 54.8382 64.3152 GPRESSURE: 2741200 265.015 32.0567 16.5672 118.277 70.432 103.544 120.093 139.87 63.5018 PRESSAVG: 2741200 47.4266 -7.99371 11.8265 -7.99374 -25.2405 39.9871 11.8266 39.9871 -5.18432 GPRESSAVG: 2741200 46.6805 -7.78238 11.6061 -7.28469 -24.5635 40.9893 12.6724 40.6065 -5.40089 TIMING: 2741200 CPU: 8258.69, 0.00299613/step Wall: 8258.69, 0.00299613/step, 1.87991 hours remaining, 209.914062 MB of memory in use. ENERGY: 2741200 748.4493 2047.2202 1967.3929 117.5924 -206464.1537 18044.1156 0.0000 0.0000 34178.7078 -149360.6754 298.4912 -183539.3833 -149260.9907 298.5907 98.2385 132.9831 556371.1468 5.6673 5.5720 PRESSURE: 2741400 -51.0689 -30.415 17.6234 -30.4156 -51.3877 11.7507 17.6233 11.7504 166.223 GPRESSURE: 2741400 -25.8625 -30.4029 -23.7115 -44.7413 27.7419 1.70918 15.2721 -32.279 161.102 PRESSAVG: 2741400 15.5964 6.81761 -17.2094 6.81761 -32.3971 -54.7055 -17.2094 -54.7056 39.2338 GPRESSAVG: 2741400 16.0257 3.90811 -17.8446 7.75072 -32.304 -54.8625 -17.5629 -55.0836 38.1387 TIMING: 2741400 CPU: 8259.29, 0.00300485/step Wall: 8259.29, 0.00300485/step, 1.88521 hours remaining, 209.914062 MB of memory in use. ENERGY: 2741400 736.6221 2076.3811 1924.3228 98.5986 -205864.5873 17735.0492 0.0000 0.0000 33923.9517 -149369.6617 296.2663 -183293.6135 -149283.0950 297.6979 21.2554 54.3272 558057.7390 7.4777 7.2868 PRESSURE: 2741600 198.164 65.6642 152.756 65.6636 -56.3148 90.7926 152.757 90.7922 -66.1488 GPRESSURE: 2741600 265.922 73.3753 175.86 91.1893 -42.684 114.65 138.737 17.7319 -42.5042 PRESSAVG: 2741600 -9.23242 24.1115 23.1062 24.1116 -32.0943 32.5921 23.1063 32.5921 46.1327 GPRESSAVG: 2741600 -9.62295 27.0223 23.8499 22.3437 -31.6224 30.4445 22.0333 31.6026 46.0878 TIMING: 2741600 CPU: 8259.89, 0.00299075/step Wall: 8259.89, 0.00299075/step, 1.8762 hours remaining, 209.914062 MB of memory in use. ENERGY: 2741600 719.0648 2151.8360 1961.2840 113.0907 -206663.7893 18009.1211 0.0000 0.0000 34245.9163 -149463.4763 299.0781 -183709.3926 -149365.6769 297.8149 25.2335 60.2447 557088.0678 1.6020 1.6142 PRESSURE: 2741800 -102.028 118.263 -141.516 118.263 -398.892 114.738 -141.517 114.737 3.95446 GPRESSURE: 2741800 -83.5311 159.328 -97.5142 99.0696 -352.383 84.8424 -126.939 124.014 29.3924 PRESSAVG: 2741800 31.8875 3.50353 -15.0173 3.50369 -43.6111 20.1692 -15.0173 20.1693 -10.2941 GPRESSAVG: 2741800 31.5335 0.92646 -13.5385 4.32306 -44.3329 21.8125 -13.5567 19.9731 -9.43215 TIMING: 2741800 CPU: 8260.49, 0.00300069/step Wall: 8260.49, 0.00300069/step, 1.88227 hours remaining, 209.914062 MB of memory in use. ENERGY: 2741800 733.4152 2064.5239 1935.2075 110.7316 -206018.1960 17456.2601 0.0000 0.0000 34298.8181 -149419.2397 299.5401 -183718.0578 -149312.5593 298.4530 -165.6553 -135.5072 557190.0716 -7.3392 -7.4105 PRESSURE: 2742000 -128.989 132.258 38.5409 132.258 21.7351 -80.7552 38.539 -80.7549 26.525 GPRESSURE: 2742000 -117.339 98.8905 -8.07984 171.107 66.8327 -76.0969 71.3744 -15.8612 89.0362 PRESSAVG: 2742000 46.834 15.0178 -18.1948 15.0178 -44.6104 -0.709674 -18.1948 -0.709653 -26.1492 GPRESSAVG: 2742000 46.0972 14.9575 -21.1666 15.8348 -44.1122 -1.96193 -17.8711 1.06934 -26.17 TIMING: 2742000 CPU: 8261.08, 0.00295801/step Wall: 8261.08, 0.00295801/step, 1.85533 hours remaining, 209.914062 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: 2742000 751.6812 2056.7316 1988.2436 114.3603 -206421.1391 17944.9031 0.0000 0.0000 34289.3002 -149275.9191 299.4570 -183565.2193 -149174.7988 299.1848 -26.9095 12.8431 556870.2279 -7.9752 -8.0617 PRESSURE: 2742200 -138.856 118.059 52.4794 118.059 47.8577 196.074 52.4792 196.076 -101.202 GPRESSURE: 2742200 -101.306 141.648 56.7952 88.2793 82.162 189.268 -28.9221 210.029 -75.4214 PRESSAVG: 2742200 49.115 19.9378 7.20701 19.9379 13.1725 -11.1987 7.20706 -11.1987 -87.6505 GPRESSAVG: 2742200 50.4341 20.6486 8.25831 18.0355 12.2818 -10.8699 5.68471 -11.2487 -88.1002 TIMING: 2742200 CPU: 8261.68, 0.00297512/step Wall: 8261.68, 0.00297512/step, 1.86589 hours remaining, 209.914062 MB of memory in use. ENERGY: 2742200 779.4668 2004.3068 1963.7499 107.0705 -206257.6119 17753.6155 0.0000 0.0000 34283.1433 -149366.2592 299.4032 -183649.4026 -149269.9722 299.5452 -64.0667 -31.5218 557067.6898 -8.4543 -8.4614 PRESSURE: 2742400 73.7229 -171.851 27.7784 -171.851 152.065 -33.4186 27.7776 -33.4186 -142.741 GPRESSURE: 2742400 79.7888 -184.794 25.5664 -86.3233 173.315 -121.209 -12.9647 -19.3883 -90.0882 PRESSAVG: 2742400 -18.6711 -25.8814 -41.189 -25.8814 1.23914 48.3998 -41.189 48.3997 -1.13579 GPRESSAVG: 2742400 -19.7332 -24.9012 -40.0844 -25.6823 1.56776 47.2171 -40.9529 46.0521 -0.594142 TIMING: 2742400 CPU: 8262.27, 0.00296792/step Wall: 8262.27, 0.00296792/step, 1.86122 hours remaining, 209.914062 MB of memory in use. ENERGY: 2742400 721.9097 2101.5794 1952.6383 134.3647 -206647.9307 17992.3796 0.0000 0.0000 34400.0592 -149344.9998 300.4243 -183745.0590 -149253.3109 298.9270 27.6824 54.3386 556741.9448 -6.1893 -6.2532 PRESSURE: 2742600 19.2001 54.2707 81.1113 54.2717 -16.4063 25.5435 81.1117 25.5422 142.064 GPRESSURE: 2742600 82.0702 95.1666 84.1366 119.844 42.1192 33.1944 62.1529 -20.6642 109.231 PRESSAVG: 2742600 57.0778 23.2339 49.8579 23.234 -14.1278 0.813103 49.8579 0.813075 -27.7133 GPRESSAVG: 2742600 56.6745 23.2604 48.4808 25.0155 -14.4465 0.391904 49.2347 1.84242 -27.7519 TIMING: 2742600 CPU: 8262.87, 0.00297923/step Wall: 8262.87, 0.00297923/step, 1.86814 hours remaining, 210.175781 MB of memory in use. ENERGY: 2742600 771.0946 2111.8687 1936.5545 122.9121 -205825.8858 17652.6647 0.0000 0.0000 34076.4939 -149154.2974 297.5985 -183230.7913 -149067.5907 298.8528 48.2858 77.8069 556749.5433 5.0789 4.8254 PRESSURE: 2742800 219.696 22.8543 99.0183 22.8541 514.751 106.322 99.0177 106.322 -49.5962 GPRESSURE: 2742800 209.748 65.7732 180.171 28.7529 516.709 85.5162 81.0681 -9.85271 53.5028 PRESSAVG: 2742800 -8.57658 5.14279 17.1442 5.14272 32.9847 59.5887 17.1442 59.5887 6.18532 GPRESSAVG: 2742800 -8.27731 2.71832 19.625 3.75668 31.6742 61.6073 17.5118 59.2088 7.08516 TIMING: 2742800 CPU: 8263.47, 0.0030141/step Wall: 8263.47, 0.0030141/step, 1.88984 hours remaining, 210.175781 MB of memory in use. ENERGY: 2742800 710.3535 2107.8537 1928.4929 128.2799 -206534.7116 18154.7017 0.0000 0.0000 34181.2210 -149323.8089 298.5131 -183505.0299 -149228.0343 298.9983 228.2838 259.9866 555021.5392 10.1978 10.1607 PRESSURE: 2743000 -140.092 6.92633 16.847 6.92746 -151.192 165.349 16.8477 165.349 -194.918 GPRESSURE: 2743000 -91.4406 38.6845 38.7766 19.89 -100.345 198.095 40.4619 149.996 -201.222 PRESSAVG: 2743000 -21.1828 11.4319 -28.8484 11.4319 67.9032 13.5399 -28.8484 13.5398 -43.2585 GPRESSAVG: 2743000 -21.092 12.4712 -30.7097 11.9062 69.7171 14.2975 -28.3024 14.2125 -44.3895 TIMING: 2743000 CPU: 8264.07, 0.00300409/step Wall: 8264.07, 0.00300409/step, 1.8834 hours remaining, 210.175781 MB of memory in use. ENERGY: 2743000 731.0685 2069.9656 1954.9409 107.8479 -205870.3645 17509.3150 0.0000 0.0000 34366.2471 -149130.9797 300.1290 -183497.2267 -149027.3970 299.7021 -162.0673 -131.0024 558212.8328 1.1540 1.4119 PRESSURE: 2743200 173.584 -1.64735 54.3784 -1.64749 236.053 108.639 54.3776 108.64 -137.232 GPRESSURE: 2743200 220.205 -3.85553 122.45 4.53873 237.406 61.049 -42.6784 154.468 -98.5075 PRESSAVG: 2743200 -19.6623 9.05587 21.8977 9.05593 31.4238 21.9884 21.8977 21.9884 -2.76411 GPRESSAVG: 2743200 -18.0879 8.81579 22.0368 8.8264 30.1437 20.941 21.3706 22.5466 -2.95208 TIMING: 2743200 CPU: 8264.67, 0.00298578/step Wall: 8264.67, 0.00298578/step, 1.87175 hours remaining, 210.175781 MB of memory in use. ENERGY: 2743200 712.2819 2071.1001 1927.0180 109.7900 -205869.4392 17765.6147 0.0000 0.0000 34318.4315 -148965.2030 299.7114 -183283.6345 -148863.4669 299.7133 90.8013 119.7011 556597.8809 2.9991 3.0346 PRESSURE: 2743400 -16.5673 26.7989 71.5175 26.7996 -106.934 -15.9962 71.5178 -15.9964 -203.816 GPRESSURE: 2743400 -7.3356 -30.311 105.157 -17.9858 -120.159 -25.756 29.0246 2.79325 -97.0107 PRESSAVG: 2743400 -23.2421 31.5482 2.14547 31.5482 -6.02081 2.89667 2.14536 2.89663 6.86189 GPRESSAVG: 2743400 -24.2949 31.2812 2.21787 31.14 -4.96422 2.28799 2.87163 3.4004 6.99188 TIMING: 2743400 CPU: 8265.27, 0.00299214/step Wall: 8265.27, 0.00299214/step, 1.87557 hours remaining, 210.175781 MB of memory in use. ENERGY: 2743400 753.9677 2101.8666 1958.9543 118.5051 -206051.1926 17747.7022 0.0000 0.0000 34211.9364 -149158.2602 298.7813 -183370.1966 -149065.1629 299.6059 -109.1056 -74.8352 557421.6295 -7.4670 -7.4224 PRESSURE: 2743600 140.717 -56.2773 -82.02 -56.2765 -50.0115 12.0209 -82.0198 12.0227 239.234 GPRESSURE: 2743600 130.953 -110.268 -32.1303 -95.6955 -92.1916 -52.5266 -128.237 39.5016 391.594 PRESSAVG: 2743600 21.1456 10.582 -15.3758 10.582 -61.0266 39.1172 -15.3758 39.1172 40.8445 GPRESSAVG: 2743600 21.3582 13.0455 -13.6103 9.60148 -60.6563 38.271 -16.6231 40.2685 40.1402 TIMING: 2743600 CPU: 8265.87, 0.00299673/step Wall: 8265.87, 0.00299673/step, 1.87828 hours remaining, 210.175781 MB of memory in use. ENERGY: 2743600 774.9474 2053.6788 1960.5468 119.6196 -206264.9106 17910.9902 0.0000 0.0000 34439.6803 -149005.4475 300.7703 -183445.1278 -148912.4194 299.6293 109.9798 143.4519 557790.2621 0.3211 0.2807 PRESSURE: 2743800 -367.684 -311.63 -95.7083 -311.63 -199.203 134.323 -95.7066 134.324 15.6383 GPRESSURE: 2743800 -312.644 -313.019 -42.6997 -337.535 -186.214 175.093 -59.8135 136.174 41.2753 PRESSAVG: 2743800 3.51002 -69.7675 -7.2523 -69.7675 -28.1776 23.4579 -7.25232 23.4579 7.38093 GPRESSAVG: 2743800 3.82725 -69.5328 -9.0474 -67.6047 -28.9525 24.6579 -5.23304 20.5891 8.24126 TIMING: 2743800 CPU: 8266.46, 0.00297667/step Wall: 8266.46, 0.00297667/step, 1.86555 hours remaining, 210.175781 MB of memory in use. ENERGY: 2743800 769.6623 2100.3184 1942.5294 118.7629 -206030.5812 17748.3948 0.0000 0.0000 34493.7945 -148857.1188 301.2429 -183350.9133 -148754.3059 300.0582 -183.7495 -152.5276 559310.5609 -5.7622 -5.6280 PRESSURE: 2744000 -238.509 6.46659 -58.3693 6.46681 -118.543 52.326 -58.3694 52.3246 39.8109 GPRESSURE: 2744000 -165.399 9.11208 -57.562 -52.62 -111.8 72.24 -78.436 127.967 59.3441 PRESSAVG: 2744000 35.232 -7.83304 -79.9142 -7.83287 -54.6455 1.33302 -79.9143 1.33293 19.9525 GPRESSAVG: 2744000 34.1445 -9.01 -79.6484 -9.63164 -53.3068 0.731062 -81.9046 2.1435 19.8683 TIMING: 2744000 CPU: 8267.06, 0.00298901/step Wall: 8267.06, 0.00298901/step, 1.87311 hours remaining, 210.175781 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: 2744000 718.8607 2176.7823 1958.3678 128.4051 -206175.6010 17713.6191 0.0000 0.0000 34500.4181 -148979.1479 301.3007 -183479.5660 -148885.4964 300.5865 -105.7472 -72.6183 558249.9325 0.1797 0.2354 PRESSURE: 2744200 28.8892 44.4811 -89.9314 44.4823 -117.476 -96.8491 -89.932 -96.8483 -61.2402 GPRESSURE: 2744200 32.0138 66.1171 -157.012 60.9604 -92.0858 -131.464 -60.0723 -42.1662 9.48236 PRESSAVG: 2744200 -0.217027 -9.62509 -11.8209 -9.62515 -17.7411 14.9881 -11.821 14.988 26.3235 GPRESSAVG: 2744200 -1.45566 -9.41637 -11.0887 -8.81029 -17.6813 15.1488 -10.8176 16.5261 27.5858 TIMING: 2744200 CPU: 8267.65, 0.00297297/step Wall: 8267.65, 0.00297297/step, 1.8629 hours remaining, 210.175781 MB of memory in use. ENERGY: 2744200 758.2432 2055.0074 1937.8821 106.2335 -205764.0416 17658.6513 0.0000 0.0000 34248.3730 -148999.6511 299.0996 -183248.0241 -148894.8406 300.6362 -49.9421 -16.8632 558018.6228 2.7884 2.8163 LDB: ============= START OF LOAD BALANCING ============== 8271.17 LDB: ============== END OF LOAD BALANCING =============== 8271.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8271.17 LDB: ============= START OF LOAD BALANCING ============== 8271.48 LDB: Largest compute 4772 load 0.030071 is 25.5% of average load 0.118087 LDB: Average compute 0.001736 is 1.5% of average load 0.118087 LDB: TIME 8271.48 LOAD: AVG 0.118087 MAX 0.209376 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.688 MB LDB: TIME 8271.48 LOAD: AVG 0.118087 MAX 0.209376 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.688 MB LDB: TIME 8271.48 LOAD: AVG 0.118087 MAX 0.209376 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.688 MB LDB: ============== END OF LOAD BALANCING =============== 8271.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8271.49 PRESSURE: 2744400 -91.3637 3.51178 -90.4639 3.51244 -55.6824 67.6398 -90.4636 67.6401 32.6295 GPRESSURE: 2744400 -120.292 26.9891 -103.409 -28.5985 -10.8947 73.3304 -99.9583 29.623 111.277 PRESSAVG: 2744400 32.8772 -6.53251 -16.354 -6.53247 -68.1044 -10.5466 -16.354 -10.5465 33.2606 GPRESSAVG: 2744400 33.4051 -7.77966 -16.2838 -7.17268 -67.1654 -8.636 -16.6487 -12.1524 31.6456 TIMING: 2744400 CPU: 8268.27, 0.00308666/step Wall: 8268.27, 0.00308666/step, 1.93396 hours remaining, 209.246094 MB of memory in use. ENERGY: 2744400 737.7775 2056.5957 1942.7273 120.5515 -206173.8433 17731.9402 0.0000 0.0000 34593.5378 -148990.7133 302.1140 -183584.2511 -148892.9335 300.2841 -38.1389 -6.6365 556255.8169 -0.6555 -0.7049 PRESSURE: 2744600 -149.372 195.058 14.9955 195.058 -23.6104 168.654 14.994 168.655 -15.0437 GPRESSURE: 2744600 -131.833 160.462 5.17735 201.835 22.8198 94.3534 14.6714 195.185 11.7023 PRESSAVG: 2744600 14.753 76.0012 -26.9153 76.0011 -6.33642 -11.9065 -26.9153 -11.9066 -18.2737 GPRESSAVG: 2744600 15.5262 74.8044 -27.5358 77.6384 -7.18724 -14.0158 -24.8477 -10.9786 -18.2624 TIMING: 2744600 CPU: 8268.88, 0.00304453/step Wall: 8268.88, 0.00304453/step, 1.9074 hours remaining, 209.316406 MB of memory in use. ENERGY: 2744600 786.5989 2127.7136 1930.4025 127.5254 -206190.8012 17884.8814 0.0000 0.0000 34334.0500 -148999.6294 299.8478 -183333.6794 -148905.3811 300.5481 -62.6755 -32.4371 558494.2921 -3.2857 -3.3078 PRESSURE: 2744800 51.5959 -58.4085 7.0076 -58.4078 -208.742 21.5814 7.00748 21.5835 127.055 GPRESSURE: 2744800 59.4601 -28.3885 22.9511 -43.8202 -164.532 60.5838 4.50756 -32.5281 189.583 PRESSAVG: 2744800 69.5345 -2.52254 -16.6732 -2.52259 -44.4337 -51.3817 -16.6733 -51.3818 -12.1677 GPRESSAVG: 2744800 69.8441 -0.223752 -17.377 -2.44537 -44.5034 -49.8851 -18.0453 -53.0847 -11.6163 TIMING: 2744800 CPU: 8269.48, 0.00300341/step Wall: 8269.48, 0.00300341/step, 1.88147 hours remaining, 209.316406 MB of memory in use. ENERGY: 2744800 718.3630 2045.9162 1940.8259 109.0698 -205676.4127 17613.3649 0.0000 0.0000 34071.6412 -149177.2317 297.5561 -183248.8728 -149082.6817 300.0450 -10.0302 28.1705 558248.5337 4.3110 4.5748 PRESSURE: 2745000 323.004 -78.1988 -23.5375 -78.199 191.405 -70.9462 -23.5374 -70.947 255.992 GPRESSURE: 2745000 274.849 -100.665 71.4774 -102.881 300.068 -87.6537 38.5277 -69.1332 289.253 PRESSAVG: 2745000 15.9568 1.82222 16.8999 1.82222 -1.44933 -17.9226 16.8999 -17.9226 3.7129 GPRESSAVG: 2745000 15.433 2.78086 16.0248 0.000891793 -2.57243 -18.9601 17.0484 -17.5088 4.52059 TIMING: 2745000 CPU: 8270.07, 0.00296738/step Wall: 8270.07, 0.00296738/step, 1.85873 hours remaining, 209.316406 MB of memory in use. ENERGY: 2745000 736.5574 2086.2752 1930.8918 110.5566 -206834.6166 18269.8426 0.0000 0.0000 34428.1565 -149272.3365 300.6697 -183700.4930 -149176.4356 299.8368 256.8005 288.0567 556464.7569 6.0734 5.7937 PRESSURE: 2745200 91.3399 -139.688 61.6849 -139.688 31.0802 4.81678 61.6865 4.81601 123.199 GPRESSURE: 2745200 112.917 -83.7963 27.007 -113.261 103.877 63.749 0.293464 -13.5032 123.182 PRESSAVG: 2745200 -62.0335 8.65606 42.3925 8.65595 -11.6491 -49.9103 42.3924 -49.9103 58.8094 GPRESSAVG: 2745200 -62.7254 5.83385 43.0682 11.4534 -10.7585 -48.3545 41.307 -50.064 57.9423 TIMING: 2745200 CPU: 8270.67, 0.00295272/step Wall: 8270.67, 0.00295272/step, 1.84939 hours remaining, 209.316406 MB of memory in use. ENERGY: 2745200 737.0978 2065.5488 1947.5746 102.6223 -206275.4248 17884.8396 0.0000 0.0000 34440.2346 -149097.5072 300.7751 -183537.7417 -149002.3491 299.6882 81.8728 113.3252 557624.5821 -4.9577 -5.1805 PRESSURE: 2745400 -139.192 -103.556 -190.09 -103.557 9.96298 -79.218 -190.091 -79.2182 352.404 GPRESSURE: 2745400 -138.885 -53.1355 -225.803 -109.939 58.7026 -71.9097 -90.873 -79.5615 398.817 PRESSAVG: 2745400 -63.6097 16.2489 4.13543 16.2488 -68.1801 -50.6565 4.13537 -50.6565 96.1578 GPRESSAVG: 2745400 -64.0505 18.5518 4.11297 13.3691 -67.3565 -52.9901 5.62832 -48.7137 96.3716 TIMING: 2745400 CPU: 8271.26, 0.00295662/step Wall: 8271.26, 0.00295662/step, 1.85166 hours remaining, 209.316406 MB of memory in use. ENERGY: 2745400 736.6535 2058.6368 1949.7455 121.9479 -206240.1789 18038.8310 0.0000 0.0000 34285.0724 -149049.2917 299.4201 -183334.3641 -148957.7400 299.7263 74.3917 106.2117 558157.4043 -11.8773 -11.6785 PRESSURE: 2745600 28.6614 -11.4918 -143.092 -11.4924 197.062 -64.7352 -143.091 -64.735 171.571 GPRESSURE: 2745600 19.7739 74.3294 -66.2373 -43.5019 214.031 -121.297 -169.182 -30.3445 260.243 PRESSAVG: 2745600 -58.1492 30.3667 5.64473 30.3667 -0.272923 -30.257 5.64475 -30.257 93.0202 GPRESSAVG: 2745600 -57.6829 29.1174 4.72796 31.622 -1.04235 -30.1971 6.79037 -30.2199 93.2984 TIMING: 2745600 CPU: 8271.86, 0.00299482/step Wall: 8271.86, 0.00299482/step, 1.87542 hours remaining, 209.316406 MB of memory in use. ENERGY: 2745600 685.6489 2070.6283 1955.5858 120.1141 -206068.7918 17867.7950 0.0000 0.0000 34523.3642 -148845.6554 301.5011 -183369.0196 -148748.5141 299.7725 132.4316 164.6827 557230.0957 11.5327 11.5244 PRESSURE: 2745800 25.8607 84.0177 -17.3713 84.0188 135.397 124.201 -17.37 124.202 -220.713 GPRESSURE: 2745800 32.7853 48.0805 24.6896 60.085 220.601 118.238 -72.1028 88.8881 -210.838 PRESSAVG: 2745800 -62.0494 2.06214 -1.48442 2.06229 52.3093 -20.4861 -1.48438 -20.4861 8.75504 GPRESSAVG: 2745800 -61.13 1.73445 0.900825 2.24615 52.3016 -20.9933 -1.22003 -22.0218 7.7604 TIMING: 2745800 CPU: 8272.46, 0.00303665/step Wall: 8272.46, 0.00303665/step, 1.90145 hours remaining, 209.316406 MB of memory in use. ENERGY: 2745800 731.4121 2090.2055 1953.4863 110.1085 -205835.4215 17734.1427 0.0000 0.0000 34338.9534 -148877.1131 299.8906 -183216.0664 -148773.7191 299.7199 -19.8183 14.1829 558241.5980 -0.3283 -0.3560 PRESSURE: 2746000 -123.378 0.770945 -101.139 0.770575 -78.0816 86.4875 -101.137 86.489 -336.508 GPRESSURE: 2746000 -143.071 75.0302 -76.4052 -47.5213 -17.8941 -9.8577 -150.502 103.012 -289.049 PRESSAVG: 2746000 -11.2472 -41.2023 32.5249 -41.2023 24.5954 -25.7081 32.5249 -25.7081 -19.3883 GPRESSAVG: 2746000 -11.2722 -42.7279 32.19 -39.3226 24.7887 -25.3548 30.4875 -24.6981 -19.6337 TIMING: 2746000 CPU: 8273.07, 0.00301326/step Wall: 8273.07, 0.00301326/step, 1.88663 hours remaining, 209.402344 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: 2746000 758.7442 2060.3401 1943.7808 118.6090 -205791.7373 17428.1264 0.0000 0.0000 34488.0511 -148994.0857 301.1927 -183482.1368 -148894.1146 299.9893 -179.3223 -150.0044 558791.8861 -2.0133 -2.0391 PRESSURE: 2746200 -68.6818 182.358 12.2732 182.359 -56.5523 -108.346 12.2726 -108.345 171.943 GPRESSURE: 2746200 27.3506 204.1 8.25721 139.122 -47.753 -193.442 101.954 -101.452 156.468 PRESSAVG: 2746200 -105.131 24.894 12.1999 24.8941 35.4384 -18.1295 12.1998 -18.1295 50.9538 GPRESSAVG: 2746200 -104.819 25.8424 12.6837 23.7667 35.1879 -16.1113 13.6054 -19.231 50.4505 TIMING: 2746200 CPU: 8273.67, 0.0030196/step Wall: 8273.67, 0.0030196/step, 1.89044 hours remaining, 209.402344 MB of memory in use. ENERGY: 2746200 775.8299 2112.5136 1922.9053 119.3938 -206324.2160 18044.5840 0.0000 0.0000 34395.5985 -148953.3910 300.3853 -183348.9895 -148856.4924 300.7605 15.5698 45.3551 557027.3137 -6.2462 -6.3937 PRESSURE: 2746400 4.32666 87.4116 -119.073 87.4127 -89.2806 -79.1466 -119.074 -79.1473 -94.3638 GPRESSURE: 2746400 95.5968 142.749 -122.455 46.0783 -68.0601 -70.8664 -57.3716 -64.2965 -108.183 PRESSAVG: 2746400 24.1131 31.7833 -2.44577 31.7833 -47.2121 -5.8504 -2.44579 -5.85035 46.4904 GPRESSAVG: 2746400 22.6159 30.2925 -3.07643 30.4133 -46.7211 -7.73103 -4.29396 -1.09635 47.5025 TIMING: 2746400 CPU: 8274.27, 0.0030097/step Wall: 8274.27, 0.0030097/step, 1.88407 hours remaining, 209.402344 MB of memory in use. ENERGY: 2746400 746.3417 2122.1050 1925.4320 106.9157 -205879.7836 17694.4670 0.0000 0.0000 34414.1548 -148870.3674 300.5474 -183284.5222 -148771.1413 300.3780 -59.7726 -26.8820 556792.7775 7.7971 7.7991 PRESSURE: 2746600 -87.6966 -42.2153 -116.252 -42.2147 -119.787 62.6198 -116.251 62.6171 -282.424 GPRESSURE: 2746600 -102.205 -72.3486 -146.001 13.9126 -78.9188 80.0632 -186.757 51.5168 -213.069 PRESSAVG: 2746600 61.7796 -7.24803 2.18724 -7.24801 -10.0259 -44.4879 2.18723 -44.4879 -11.7535 GPRESSAVG: 2746600 61.4271 -3.85612 1.23339 -5.91294 -10.637 -42.6014 1.61253 -48.0131 -11.1567 TIMING: 2746600 CPU: 8274.86, 0.00295594/step Wall: 8274.86, 0.00295594/step, 1.85025 hours remaining, 209.402344 MB of memory in use. ENERGY: 2746600 763.4998 2077.2948 1938.9419 105.9436 -205768.9239 17484.6863 0.0000 0.0000 34433.2166 -148965.3410 300.7138 -183398.5576 -148867.9336 300.1255 -163.3026 -131.3977 557795.0526 13.3334 13.2111 PRESSURE: 2746800 -94.5331 -61.6702 -20.1412 -61.6713 10.4636 52.0644 -20.1413 52.0635 -160.548 GPRESSURE: 2746800 -109.549 -60.7048 72.9167 -14.594 36.5942 86.6528 -87.694 23.4498 -85.1119 PRESSAVG: 2746800 -49.4953 -53.9984 -5.72093 -53.9984 33.7406 1.59942 -5.72095 1.59938 35.0583 GPRESSAVG: 2746800 -48.8105 -55.2413 -6.63143 -52.5995 33.803 1.95296 -4.01189 0.173016 34.7842 TIMING: 2746800 CPU: 8275.46, 0.00296551/step Wall: 8275.46, 0.00296551/step, 1.85608 hours remaining, 209.402344 MB of memory in use. ENERGY: 2746800 776.2374 2052.5467 1911.1759 100.1290 -205472.5981 17562.8543 0.0000 0.0000 34199.0087 -148870.6461 298.6684 -183069.6549 -148768.8764 300.1377 -81.5390 -52.6888 558077.5557 6.4345 6.5922 PRESSURE: 2747000 -14.9731 -2.65935 214.211 -2.65907 -188.834 34.5507 214.211 34.5501 33.667 GPRESSURE: 2747000 12.8746 -13.5016 246.519 100.249 -141.97 23.9335 241.022 43.5805 62.4856 PRESSAVG: 2747000 47.1605 -31.0621 18.0608 -31.0621 -57.406 11.5961 18.0608 11.596 -15.673 GPRESSAVG: 2747000 47.1542 -30.5303 17.8494 -30.3582 -57.1633 11.8289 18.3264 12.1157 -15.7199 TIMING: 2747000 CPU: 8276.06, 0.00299905/step Wall: 8276.06, 0.00299905/step, 1.8769 hours remaining, 209.402344 MB of memory in use. ENERGY: 2747000 755.0349 2056.3353 1941.6440 115.3836 -205820.7365 17788.9285 0.0000 0.0000 34301.4759 -148861.9342 299.5633 -183163.4102 -148760.4110 299.9008 -56.7135 -22.2033 559045.6432 -8.6395 -8.5763 PRESSURE: 2747200 -55.6912 17.2295 -62.6009 17.2309 -114.646 133.341 -62.6005 133.341 20.2002 GPRESSURE: 2747200 5.2603 -5.63205 -64.5331 -9.02173 -47.2516 151.583 -63.0837 156.266 -1.07135 PRESSAVG: 2747200 -37.2599 49.7886 32.5567 49.7886 8.82103 -21.0601 32.5568 -21.06 28.2645 GPRESSAVG: 2747200 -37.3767 49.7405 33.6642 47.7275 8.00362 -23.2987 32.8934 -18.8776 29.365 TIMING: 2747200 CPU: 8276.65, 0.00297171/step Wall: 8276.65, 0.00297171/step, 1.85963 hours remaining, 209.402344 MB of memory in use. ENERGY: 2747200 815.4015 2091.5862 1945.5216 131.6096 -205979.1924 17822.1845 0.0000 0.0000 34481.3361 -148691.5530 301.1341 -183172.8892 -148597.8886 300.4692 -50.0458 -14.3542 558548.2082 -0.0581 -0.0027 PRESSURE: 2747400 -91.6784 158.464 -47.8608 158.463 74.4748 11.9762 -47.8609 11.9757 -504.472 GPRESSURE: 2747400 -87.1413 179.545 -116.648 142.306 61.5681 96.707 -14.0921 -41.9984 -417.21 PRESSAVG: 2747400 -34.227 -10.5659 31.3546 -10.566 57.6126 4.97215 31.3546 4.97222 -3.98158 GPRESSAVG: 2747400 -33.4226 -10.7232 32.2772 -12.941 58.229 5.89087 29.3303 4.12659 -4.86799 TIMING: 2747400 CPU: 8277.25, 0.00301762/step Wall: 8277.25, 0.00301762/step, 1.88819 hours remaining, 209.402344 MB of memory in use. ENERGY: 2747400 769.2108 2101.1232 1942.2194 118.5817 -205621.3709 17610.9917 0.0000 0.0000 34378.5469 -148700.6971 300.2364 -183079.2440 -148607.9275 300.5780 -173.8918 -147.5944 560081.0245 6.4680 6.6461 PRESSURE: 2747600 18.6655 179.134 -37.1038 179.133 -6.20278 -222.297 -37.1038 -222.296 33.4565 GPRESSURE: 2747600 56.1781 205.529 -113.404 66.4508 47.9403 -233.56 25.395 -178.399 43.982 PRESSAVG: 2747600 7.38359 0.0772885 9.07275 0.0772385 2.1044 -10.8005 9.07273 -10.8005 -53.21 GPRESSAVG: 2747600 8.17899 -0.515905 8.31533 1.1471 1.93709 -10.3961 11.1805 -12.8803 -53.8227 TIMING: 2747600 CPU: 8277.86, 0.00302112/step Wall: 8277.86, 0.00302112/step, 1.89021 hours remaining, 209.402344 MB of memory in use. ENERGY: 2747600 751.2193 2068.5084 1913.6166 116.3474 -205723.7199 17757.1536 0.0000 0.0000 34300.1898 -148816.6846 299.5521 -183116.8744 -148715.4272 300.3782 15.3064 49.3668 558612.6561 -14.5740 -14.5689 PRESSURE: 2747800 -53.3782 37.7582 47.5178 37.7571 -134.702 0.596695 47.5154 0.596791 -59.7651 GPRESSURE: 2747800 -32.6604 53.9914 73.4024 47.7919 -69.6715 38.3415 17.4303 44.2701 -49.5033 PRESSAVG: 2747800 38.7021 -47.9249 -19.6226 -47.925 -9.7744 27.0218 -19.6227 27.0217 -33.5016 GPRESSAVG: 2747800 37.1656 -46.6016 -20.3445 -46.5605 -10.1405 25.6937 -21.0615 30.6366 -31.9898 TIMING: 2747800 CPU: 8278.46, 0.00299681/step Wall: 8278.46, 0.00299681/step, 1.87483 hours remaining, 209.402344 MB of memory in use. ENERGY: 2747800 763.7001 2137.1498 1950.1928 106.5264 -205483.8976 17475.6201 0.0000 0.0000 34284.3450 -148766.3634 299.4137 -183050.7084 -148667.4993 300.2713 -82.6152 -50.6117 558666.6344 -1.5246 -1.6549 PRESSURE: 2748000 6.33555 30.4149 53.9052 30.415 -123.49 -229.2 53.9042 -229.201 -42.5864 GPRESSURE: 2748000 109.731 80.3023 50.8502 30.9778 -116.102 -262.427 98.371 -141.437 -57.387 PRESSAVG: 2748000 25.273 -49.4324 -5.12564 -49.4324 -9.68183 -1.9972 -5.12562 -1.99708 -21.452 GPRESSAVG: 2748000 26.3293 -49.1877 -4.50321 -50.0053 -9.02876 -1.51966 -5.41641 -3.40359 -23.1719 TIMING: 2748000 CPU: 8279.05, 0.00295535/step Wall: 8279.05, 0.00295535/step, 1.84873 hours remaining, 209.402344 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: 2748000 732.2168 2112.2967 1927.5366 115.3793 -205746.4671 17788.7663 0.0000 0.0000 34178.0668 -148892.2047 298.4856 -183070.2714 -148789.7522 299.4909 -53.2470 -21.2527 559168.5796 -1.9536 -1.9571 PRESSURE: 2748200 213.307 -34.2083 83.6971 -34.2089 348.136 -126.831 83.6987 -126.831 198.784 GPRESSURE: 2748200 241.349 -69.0018 88.0627 7.93012 353.951 -153.483 90.2481 -152.724 252.055 PRESSAVG: 2748200 40.1886 -10.8876 -25.0638 -10.8875 33.4125 0.0509221 -25.0637 0.0508185 -70.1508 GPRESSAVG: 2748200 40.0744 -11.9064 -25.972 -9.86728 34.0439 -0.208724 -22.3003 0.806911 -70.2638 TIMING: 2748200 CPU: 8279.64, 0.00296884/step Wall: 8279.64, 0.00296884/step, 1.85701 hours remaining, 209.402344 MB of memory in use. ENERGY: 2748200 727.3749 2141.4253 1930.1961 122.2042 -206106.6322 18207.5025 0.0000 0.0000 34202.9617 -148774.9675 298.7030 -182977.9292 -148688.9583 300.1206 253.4094 282.4516 557097.9691 1.1501 1.2848 LDB: ============= START OF LOAD BALANCING ============== 8283.16 LDB: ============== END OF LOAD BALANCING =============== 8283.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8283.16 LDB: ============= START OF LOAD BALANCING ============== 8283.46 LDB: Largest compute 4772 load 0.029379 is 24.9% of average load 0.118114 LDB: Average compute 0.001726 is 1.5% of average load 0.118114 LDB: TIME 8283.46 LOAD: AVG 0.118114 MAX 0.207048 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.484 MB LDB: TIME 8283.46 LOAD: AVG 0.118114 MAX 0.207048 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.484 MB LDB: TIME 8283.46 LOAD: AVG 0.118114 MAX 0.207048 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.484 MB LDB: ============== END OF LOAD BALANCING =============== 8283.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8283.47 PRESSURE: 2748400 183.383 20.9103 53.6425 20.9102 45.0692 205.693 53.6411 205.691 -271.043 GPRESSURE: 2748400 210.108 76.5785 14.1222 32.1899 122.397 153.774 89.6218 192.553 -280.975 PRESSAVG: 2748400 -35.4833 -28.069 36.808 -28.0691 3.48785 -4.41077 36.808 -4.41072 -1.46089 GPRESSAVG: 2748400 -35.8019 -26.1321 38.2793 -29.3543 3.204 -3.90135 34.379 -6.59331 -0.765672 TIMING: 2748400 CPU: 8280.25, 0.00303598/step Wall: 8280.25, 0.00303598/step, 1.89884 hours remaining, 209.972656 MB of memory in use. ENERGY: 2748400 699.9304 2142.9719 1936.7524 111.3103 -205778.7343 17675.7577 0.0000 0.0000 34404.0885 -148807.9231 300.4595 -183212.0116 -148707.4478 300.8236 -14.1971 17.1767 557142.5070 -11.1521 -11.1212 PRESSURE: 2748600 33.415 -156.822 -86.2229 -156.824 -230.574 -3.97507 -86.2229 -3.97261 41.2749 GPRESSURE: 2748600 -58.9127 -229.437 -111.16 -166.093 -162.937 -51.4445 -96.2001 37.4548 172.538 PRESSAVG: 2748600 16.7893 -30.7467 15.2213 -30.7468 17.0524 46.1477 15.2213 46.1478 -66.2453 GPRESSAVG: 2748600 15.8361 -34.2061 17.5841 -28.3463 17.5966 46.2271 14.8523 47.4814 -65.9235 TIMING: 2748600 CPU: 8280.84, 0.00297279/step Wall: 8280.84, 0.00297279/step, 1.85915 hours remaining, 210.175781 MB of memory in use. ENERGY: 2748600 738.4427 2102.5574 1932.0014 115.2576 -205911.4624 17838.7916 0.0000 0.0000 34350.9816 -148833.4301 299.9957 -183184.4117 -148742.8504 300.3941 -51.9612 -16.4373 558875.3566 -10.8012 -10.8302 PRESSURE: 2748800 45.1731 189.096 82.2962 189.096 132.106 -106.037 82.2962 -106.036 -56.0083 GPRESSURE: 2748800 100.144 171.211 112.703 185.79 169.053 -76.7267 114.809 -34.8095 -51.7852 PRESSAVG: 2748800 -36.3901 -82.0447 16.5768 -82.0448 57.5241 23.3249 16.5768 23.325 26.5421 GPRESSAVG: 2748800 -35.8049 -79.6092 11.6754 -83.9431 56.0759 21.4277 17.5341 24.4367 27.0097 TIMING: 2748800 CPU: 8281.44, 0.00297914/step Wall: 8281.44, 0.00297914/step, 1.86296 hours remaining, 210.175781 MB of memory in use. ENERGY: 2748800 786.1011 2119.7076 1970.8977 106.6278 -206265.6969 18033.6464 0.0000 0.0000 34546.7947 -148701.9217 301.7058 -183248.7164 -148602.8265 301.1193 40.4236 72.4705 558014.7386 15.8921 15.7603 PRESSURE: 2749000 -117.829 -22.8569 -196.413 -22.8568 7.19069 74.6652 -196.413 74.666 84.6074 GPRESSURE: 2749000 -29.1307 -99.657 -139.568 7.21212 13.4331 37.7661 -253.192 139.896 88.0603 PRESSAVG: 2749000 27.1967 51.6534 -6.20157 51.6535 -20.5894 7.07072 -6.20151 7.07068 35.4022 GPRESSAVG: 2749000 27.1895 50.1409 -4.57216 53.8495 -19.4841 11.075 -5.78251 5.10469 34.5374 TIMING: 2749000 CPU: 8282.03, 0.00297709/step Wall: 8282.03, 0.00297709/step, 1.86151 hours remaining, 210.175781 MB of memory in use. ENERGY: 2749000 772.2394 2106.0557 1947.4149 114.6419 -206203.2799 17760.1584 0.0000 0.0000 34766.3453 -148736.4243 303.6231 -183502.7696 -148631.8177 301.4795 -8.6770 24.1209 555917.4122 14.0032 14.0809 PRESSURE: 2749200 -81.4111 115.536 -198.499 115.536 89.101 24.3945 -198.498 24.3965 53.4033 GPRESSURE: 2749200 -33.263 39.7612 -163.726 223.309 121.815 5.37761 -261.908 -38.6374 63.1998 PRESSAVG: 2749200 14.6448 15.6877 -55.1793 15.6877 -11.7757 33.816 -55.1793 33.8159 -41.5677 GPRESSAVG: 2749200 14.4056 17.235 -53.3239 14.496 -12.4546 32.2659 -56.4692 34.3048 -40.5619 TIMING: 2749200 CPU: 8282.63, 0.00299058/step Wall: 8282.63, 0.00299058/step, 1.86977 hours remaining, 210.175781 MB of memory in use. ENERGY: 2749200 748.6910 2061.6028 1931.8295 112.7783 -205914.4685 17715.3287 0.0000 0.0000 34492.6181 -148851.6201 301.2326 -183344.2382 -148755.6444 301.2617 20.3644 50.5838 555865.9968 -12.8995 -12.8703 PRESSURE: 2749400 -51.1222 -72.3725 -93.0646 -72.3719 -56.9563 -8.15542 -93.065 -8.15718 -50.5718 GPRESSURE: 2749400 -50.5348 -21.138 -195.524 -139.461 -15.6225 -102.813 19.6578 64.3353 5.93489 PRESSAVG: 2749400 1.52286 1.88164 -21.4571 1.88172 -7.87814 38.7735 -21.4571 38.7736 37.3043 GPRESSAVG: 2749400 1.86491 3.54691 -21.7373 2.77074 -8.28661 36.61 -21.6152 39.9172 36.9147 TIMING: 2749400 CPU: 8283.24, 0.00303049/step Wall: 8283.24, 0.00303049/step, 1.89456 hours remaining, 210.175781 MB of memory in use. ENERGY: 2749400 752.4471 2143.6958 1925.8333 104.4766 -205976.1572 17697.0558 0.0000 0.0000 34412.5268 -148940.1218 300.5332 -183352.6486 -148842.8297 301.3347 -52.8834 -20.0741 557155.7117 10.3163 10.1643 PRESSURE: 2749600 -81.9931 132.971 -97.8648 132.97 -199.9 41.7197 -97.863 41.7199 -57.7513 GPRESSURE: 2749600 -57.8877 32.9226 -125.754 253.52 -177.964 98.0538 -139.595 0.70335 -2.07165 PRESSAVG: 2749600 -21.4583 47.1727 -37.8107 47.1728 57.3932 27.1055 -37.8106 27.1057 -26.5749 GPRESSAVG: 2749600 -21.3687 45.3967 -39.7072 44.9781 58.5731 28.9663 -36.4699 26.4028 -27.4774 TIMING: 2749600 CPU: 8283.84, 0.00298536/step Wall: 8283.84, 0.00298536/step, 1.86618 hours remaining, 210.175781 MB of memory in use. ENERGY: 2749600 759.6387 2078.2366 1948.3843 114.9231 -206201.9278 17892.3358 0.0000 0.0000 34100.2257 -149308.1836 297.8058 -183408.4094 -149211.0434 299.5633 -113.2148 -79.3077 557505.3635 3.1200 3.2423 PRESSURE: 2749800 36.8839 1.48329 -172.621 1.48419 -89.8511 -193.423 -172.622 -193.422 87.4416 GPRESSURE: 2749800 113.617 -9.36306 -129.397 -7.98435 -99.2986 -198.969 -274.91 -164.153 118.313 PRESSAVG: 2749800 -13.152 35.1849 -26.2562 35.185 5.18529 -7.39805 -26.2563 -7.3981 -19.9521 GPRESSAVG: 2749800 -12.3009 35.8103 -24.6014 34.9504 4.81555 -7.7165 -26.9675 -9.62295 -20.0286 TIMING: 2749800 CPU: 8284.43, 0.00296494/step Wall: 8284.43, 0.00296494/step, 1.85325 hours remaining, 210.175781 MB of memory in use. ENERGY: 2749800 729.4643 2113.5176 1937.1407 112.7899 -206350.6919 17753.4679 0.0000 0.0000 34247.9269 -149456.3847 299.0957 -183704.3115 -149357.4499 299.2289 11.4915 44.2105 555476.4418 -9.3063 -9.1713 PRESSURE: 2750000 131.856 15.4998 19.6114 15.5 87.0256 -64.2844 19.6102 -64.2841 196.289 GPRESSURE: 2750000 152.41 24.6014 23.9841 -1.73476 96.2105 -9.96238 63.8096 -123.519 270.719 PRESSAVG: 2750000 -4.42848 -48.9892 5.03177 -48.9891 -6.22281 -21.9888 5.03175 -21.9888 50.2622 GPRESSAVG: 2750000 -5.5952 -48.7503 5.48528 -48.5923 -6.53252 -20.4693 1.71912 -23.0084 52.0585 TIMING: 2750000 CPU: 8285.02, 0.00297141/step Wall: 8285.02, 0.00297141/step, 1.85713 hours remaining, 210.175781 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: 2750000 733.9425 2087.2956 1944.7157 121.2725 -206214.1307 17768.7767 0.0000 0.0000 34245.0408 -149313.0868 299.0705 -183558.1276 -149217.7612 298.4968 138.3904 173.1132 556463.7836 13.2036 13.3103 PRESSURE: 2750200 113.415 -72.3715 -109.21 -72.3715 -288.746 -53.1044 -109.21 -53.1039 -155.093 GPRESSURE: 2750200 137.039 -75.2065 -64.4245 -12.7382 -229.601 55.7235 -128.41 -153.538 -132.706 PRESSAVG: 2750200 77.8408 -9.178 -5.78168 -9.17789 -28.2362 5.40178 -5.78179 5.40179 -10.969 GPRESSAVG: 2750200 77.742 -9.01952 -6.82772 -8.74469 -27.9654 3.95834 -2.91292 6.59484 -11.4379 TIMING: 2750200 CPU: 8285.62, 0.00298479/step Wall: 8285.62, 0.00298479/step, 1.86533 hours remaining, 210.175781 MB of memory in use. ENERGY: 2750200 759.9490 2065.2798 1922.2473 111.2894 -205887.0696 17582.1124 0.0000 0.0000 34157.5845 -149288.6071 298.3067 -183446.1915 -149192.9647 299.0184 -110.1410 -75.0893 558270.3798 12.8786 12.7796 PRESSURE: 2750400 105.112 -61.5996 -111.108 -61.5997 -31.6366 173.017 -111.108 173.016 -58.8961 GPRESSURE: 2750400 111.093 -33.8986 -108.061 -157.111 11.3062 108.361 -65.7496 285.079 -13.8754 PRESSAVG: 2750400 -60.0903 39.1798 -36.5857 39.1798 32.983 58.7884 -36.5856 58.7884 13.1497 GPRESSAVG: 2750400 -60.0554 39.1191 -37.6353 38.166 33.8274 59.5721 -35.563 59.8355 12.7452 TIMING: 2750400 CPU: 8286.22, 0.00301424/step Wall: 8286.22, 0.00301424/step, 1.88357 hours remaining, 210.175781 MB of memory in use. ENERGY: 2750400 777.7196 2104.8660 1933.1272 116.4365 -206562.1409 17958.6932 0.0000 0.0000 34354.5854 -149316.7130 300.0271 -183671.2984 -149219.9103 298.6258 4.8600 36.1746 557054.3999 -4.6525 -4.4942 PRESSURE: 2750600 -70.3637 -17.5148 -106.137 -17.5135 5.88541 -0.269196 -106.137 -0.26973 78.8769 GPRESSURE: 2750600 -29.2205 10.7207 -180.554 -30.1378 16.388 18.5043 6.78873 -142.087 117.605 PRESSAVG: 2750600 -25.8973 -18.8545 26.5776 -18.8545 -8.5981 15.63 26.5775 15.6299 27.0269 GPRESSAVG: 2750600 -26.0227 -20.6879 24.6532 -16.7558 -9.0124 14.935 25.9505 15.6739 27.5322 TIMING: 2750600 CPU: 8286.82, 0.00299908/step Wall: 8286.82, 0.00299908/step, 1.87393 hours remaining, 210.175781 MB of memory in use. ENERGY: 2750600 776.5797 2100.0795 1958.3858 109.9938 -206477.2301 17982.2043 0.0000 0.0000 34298.6290 -149251.3580 299.5385 -183549.9870 -149152.4479 299.6191 4.7995 34.9241 556434.3025 -2.4895 -2.5010 PRESSURE: 2750800 -284.76 -53.9023 91.3414 -53.902 -144.396 -2.73554 91.3414 -2.73473 -290.447 GPRESSURE: 2750800 -239.986 -61.9596 75.6531 4.21436 -103.573 -44.5267 31.8824 4.72416 -274.329 PRESSAVG: 2750800 -98.4263 -21.7474 20.2003 -21.7472 54.9919 -1.4324 20.2004 -1.43234 81.8202 GPRESSAVG: 2750800 -99.1148 -20.2604 22.3965 -21.3915 56.2565 -1.54754 20.1499 -0.437791 81.5368 TIMING: 2750800 CPU: 8287.42, 0.002997/step Wall: 8287.42, 0.002997/step, 1.87246 hours remaining, 210.175781 MB of memory in use. ENERGY: 2750800 749.8169 2052.6514 1928.7804 109.9349 -205606.8234 17466.0129 0.0000 0.0000 34155.5802 -149144.0467 298.2892 -183299.6269 -149043.6590 299.3307 -239.8675 -205.9628 558502.7300 12.7952 12.8929 PRESSURE: 2751000 -271.831 -109 72.0103 -109.001 -449.36 1.35553 72.011 1.35608 -432.094 GPRESSURE: 2751000 -219.584 -161.892 18.2442 -97.3283 -380.789 4.88027 161.763 3.70247 -451.555 PRESSAVG: 2751000 5.18888 -23.3107 43.5539 -23.3107 52.2617 45.9697 43.5539 45.9696 -17.2564 GPRESSAVG: 2751000 6.46776 -21.8057 43.5936 -24.3188 51.1765 46.3853 44.5744 45.0639 -17.762 TIMING: 2751000 CPU: 8288.02, 0.00296668/step Wall: 8288.02, 0.00296668/step, 1.85335 hours remaining, 210.175781 MB of memory in use. ENERGY: 2751000 772.8415 2068.6425 1919.4265 118.1147 -205908.9201 17466.8246 0.0000 0.0000 34389.3936 -149173.6767 300.3311 -183563.0704 -149080.3638 299.6728 -384.4285 -350.6428 559275.3926 13.3980 13.2941 PRESSURE: 2751200 1.69317 -134.007 120.441 -134.007 92.5619 -119.202 120.442 -119.203 201.631 GPRESSURE: 2751200 -1.62005 -190.798 46.6771 -182.654 179.01 -65.3599 144.816 -162.926 206.576 PRESSAVG: 2751200 29.1507 -81.65 35.3007 -81.6501 4.77749 5.55739 35.3008 5.5574 4.87889 GPRESSAVG: 2751200 28.4697 -81.9017 36.8931 -83.2235 4.08916 5.02946 35.1549 6.90596 5.34439 TIMING: 2751200 CPU: 8288.61, 0.0029715/step Wall: 8288.61, 0.0029715/step, 1.8562 hours remaining, 210.175781 MB of memory in use. ENERGY: 2751200 707.5375 2031.0430 1939.9513 105.9438 -206079.7640 17760.7595 0.0000 0.0000 34226.5003 -149308.0286 298.9085 -183534.5289 -149210.8628 299.1919 98.6287 127.9887 557326.3768 12.9357 12.6344 PRESSURE: 2751400 -108.983 -2.77365 -59.4803 -2.77362 -131.88 157.125 -59.4816 157.126 -103.391 GPRESSURE: 2751400 -45.9475 -3.22325 -108.742 -107.556 -138.823 191.823 9.50081 171.34 -70.0208 PRESSAVG: 2751400 -17.2345 13.0953 0.472914 13.0954 -18.4828 43.6994 0.472863 43.6993 65.3875 GPRESSAVG: 2751400 -15.9316 12.6019 -0.035095 13.3134 -18.3417 47.4628 -1.9345 41.255 64.3928 TIMING: 2751400 CPU: 8289.2, 0.00297541/step Wall: 8289.2, 0.00297541/step, 1.85847 hours remaining, 210.175781 MB of memory in use. ENERGY: 2751400 731.1799 2073.7548 1947.2716 104.0021 -205926.1812 17590.5551 0.0000 0.0000 34156.8165 -149322.6013 298.3000 -183479.4178 -149239.1198 299.2590 -114.7515 -84.9303 557535.2114 9.8901 10.0399 PRESSURE: 2751600 365.727 -54.9123 -27.4523 -54.911 -81.8775 52.2145 -27.4521 52.2157 147.206 GPRESSURE: 2751600 364.836 -124.394 -38.8763 -28.3886 -58.3245 76.0496 52.0459 34.9335 215.263 PRESSAVG: 2751600 90.7777 39.9238 -31.5037 39.9238 -44.3824 5.90619 -31.5038 5.90626 -55.629 GPRESSAVG: 2751600 88.6312 38.3158 -31.5252 41.3035 -42.9321 1.86217 -29.4753 5.41434 -54.8081 TIMING: 2751600 CPU: 8289.81, 0.00300793/step Wall: 8289.81, 0.00300793/step, 1.87862 hours remaining, 210.175781 MB of memory in use. ENERGY: 2751600 740.1760 2034.1654 1947.3031 99.2208 -206344.6949 18007.2781 0.0000 0.0000 34262.5573 -149253.9941 299.2234 -183516.5514 -149150.9365 298.4297 143.6852 173.9248 557369.8652 -3.0779 -3.0363 PRESSURE: 2751800 35.4323 -15.002 -240.127 -15.003 23.2318 44.9444 -240.128 44.9444 -1.01843 GPRESSURE: 2751800 71.1341 -3.58787 -273.957 -20.2152 47.757 66.5874 -126.369 26.2438 36.7314 PRESSAVG: 2751800 12.7689 15.2467 -44.6339 15.2466 32.1295 -21.1019 -44.634 -21.1019 -65.5074 GPRESSAVG: 2751800 13.4711 14.0444 -42.4574 16.8728 32.0483 -20.4643 -47.1543 -20.4291 -65.6846 TIMING: 2751800 CPU: 8290.41, 0.00300331/step Wall: 8290.41, 0.00300331/step, 1.87557 hours remaining, 210.175781 MB of memory in use. ENERGY: 2751800 758.4357 2046.8121 1948.4569 117.2294 -206011.2051 17821.3846 0.0000 0.0000 34008.6640 -149310.2224 297.0061 -183318.8864 -149208.3612 298.7398 19.2152 51.8742 557612.3172 -6.8697 -6.7217 PRESSURE: 2752000 258.811 -40.4155 31.1415 -40.4153 148.683 113.147 31.1425 113.146 202.846 GPRESSURE: 2752000 273.544 -82.3349 -47.3606 41.2745 161.142 96.6545 107.078 178.668 276.406 PRESSAVG: 2752000 -40.4205 70.647 -2.48357 70.6469 84.8945 -27.4559 -2.48361 -27.4559 -20.0312 GPRESSAVG: 2752000 -40.2444 72.297 -6.48929 68.177 84.5462 -27.8227 0.255535 -27.5453 -19.7928 TIMING: 2752000 CPU: 8291.01, 0.00298951/step Wall: 8291.01, 0.00298951/step, 1.86678 hours remaining, 210.175781 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: 2752000 746.7309 2059.4635 1941.9312 107.8053 -206422.1058 18149.3872 0.0000 0.0000 34216.5395 -149200.2483 298.8215 -183416.7877 -149102.7289 298.7564 203.4468 237.0304 555500.9799 8.1476 8.1697 PRESSURE: 2752200 278.846 79.1414 4.91761 79.1429 256.194 94.5873 4.91799 94.5871 296.63 GPRESSURE: 2752200 263.297 99.986 51.009 55.4806 342.708 -56.6799 13.246 159.011 311.833 PRESSAVG: 2752200 76.8849 -15.7763 -14.4109 -15.7763 -35.8241 -19.5141 -14.4109 -19.514 -37.6751 GPRESSAVG: 2752200 76.4054 -16.1925 -12.9078 -14.3203 -35.8935 -18.1331 -16.0382 -19.2225 -37.0109 TIMING: 2752200 CPU: 8291.61, 0.00301469/step Wall: 8291.61, 0.00301469/step, 1.88234 hours remaining, 210.175781 MB of memory in use. ENERGY: 2752200 760.6000 2092.0854 1928.3213 116.0952 -206517.6911 18267.2637 0.0000 0.0000 34388.8422 -148964.4834 300.3263 -183353.3256 -148867.5063 299.9309 277.2234 305.9461 556122.8110 1.1286 1.1670 LDB: ============= START OF LOAD BALANCING ============== 8295.12 LDB: ============== END OF LOAD BALANCING =============== 8295.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8295.13 LDB: ============= START OF LOAD BALANCING ============== 8295.43 LDB: Largest compute 4772 load 0.028481 is 24.1% of average load 0.118117 LDB: Average compute 0.001734 is 1.5% of average load 0.118117 LDB: TIME 8295.43 LOAD: AVG 0.118117 MAX 0.209454 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.43 MB LDB: TIME 8295.43 LOAD: AVG 0.118117 MAX 0.209454 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: TIME 8295.43 LOAD: AVG 0.118117 MAX 0.209454 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: ============== END OF LOAD BALANCING =============== 8295.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8295.44 PRESSURE: 2752400 -74.0169 14.8419 69.9569 14.8425 -164.386 41.0967 69.9565 41.0965 -110.394 GPRESSURE: 2752400 -30.3974 13.262 39.2882 33.6377 -127.973 87.0606 58.9362 1.96112 -92.7336 PRESSAVG: 2752400 86.9069 9.59741 13.9443 9.59738 -47.0655 46.0361 13.9443 46.0361 -2.85706 GPRESSAVG: 2752400 86.611 10.4936 12.5291 9.71432 -46.7315 44.9745 14.613 47.6929 -2.87682 TIMING: 2752400 CPU: 8292.22, 0.00306027/step Wall: 8292.22, 0.00306027/step, 1.91063 hours remaining, 209.457031 MB of memory in use. ENERGY: 2752400 781.4578 2076.5623 1934.5371 117.9331 -205844.2564 17650.9375 0.0000 0.0000 34452.3111 -148830.5175 300.8806 -183282.8286 -148739.5703 299.9623 -116.2658 -83.7013 557691.7044 12.3281 12.3342 PRESSURE: 2752600 -452.951 -124.939 152.666 -124.939 -337.425 101.468 152.665 101.467 111.888 GPRESSURE: 2752600 -418.764 -100.433 195.871 -81.521 -268.62 -7.49737 114.772 230.42 116.136 PRESSAVG: 2752600 5.26298 -38.9944 17.3209 -38.9944 -34.1256 57.2053 17.3209 57.2055 15.1161 GPRESSAVG: 2752600 5.14518 -41.7421 17.13 -37.852 -34.0079 56.3834 17.0027 54.9158 14.7139 TIMING: 2752600 CPU: 8292.82, 0.00300717/step Wall: 8292.82, 0.00300717/step, 1.87731 hours remaining, 209.660156 MB of memory in use. ENERGY: 2752600 757.3237 2106.5144 1930.2899 104.6974 -205405.6393 17329.3343 0.0000 0.0000 34337.8038 -148839.6758 299.8806 -183177.4796 -148741.5866 300.3811 -226.1628 -190.4162 558073.5278 -4.5822 -4.7163 PRESSURE: 2752800 151.305 -28.4928 -156.209 -28.4916 61.4508 -21.9636 -156.208 -21.962 -37.9208 GPRESSURE: 2752800 212.184 -41.0713 -142.199 14.2377 56.8681 -52.6231 -178.942 24.4741 13.5021 PRESSAVG: 2752800 -16.5319 -25.2186 18.5205 -25.2187 2.85148 60.9912 18.5205 60.9913 33.5821 GPRESSAVG: 2752800 -17.1334 -22.7807 18.7702 -26.5825 2.89043 61.1261 18.7057 61.2177 33.7909 TIMING: 2752800 CPU: 8293.42, 0.00297016/step Wall: 8293.42, 0.00297016/step, 1.85404 hours remaining, 209.660156 MB of memory in use. ENERGY: 2752800 758.1438 2096.3014 1962.4567 107.9271 -205656.6291 17718.3566 0.0000 0.0000 34228.0726 -148785.3709 298.9223 -183013.4435 -148681.7942 300.5256 58.2783 94.1847 557835.6104 6.6339 6.5160 PRESSURE: 2753000 -54.2131 -143.891 115.782 -143.89 -108.636 -124.773 115.781 -124.773 -56.5231 GPRESSURE: 2753000 -22.1847 -165.259 145.612 -37.1936 -91.6867 -17.9238 111.5 -137.199 -11.7666 PRESSAVG: 2753000 34.757 -15.5407 54.728 -15.5405 -55.4561 14.536 54.7279 14.5361 24.3933 GPRESSAVG: 2753000 35.8532 -16.0625 54.8135 -16.9422 -55.3966 15.596 55.945 15.4032 23.2264 TIMING: 2753000 CPU: 8294.01, 0.00297097/step Wall: 8294.01, 0.00297097/step, 1.85438 hours remaining, 209.660156 MB of memory in use. ENERGY: 2753000 758.9953 2112.2096 1945.8897 116.5294 -205503.8171 17517.1301 0.0000 0.0000 34400.7709 -148652.2922 300.4305 -183053.0631 -148557.5224 300.8007 -73.1240 -41.8793 558150.6494 1.2314 1.2277 PRESSURE: 2753200 -60.1676 -118.684 45.6601 -118.684 -31.0564 -14.3447 45.661 -14.3444 -215.496 GPRESSURE: 2753200 -49.6274 -149.565 197.702 -114.55 -11.5732 -67.2542 -135.788 -85.0459 -147.607 PRESSAVG: 2753200 29.2814 -48.9647 38.577 -48.9647 -28.2923 27.0749 38.577 27.0749 4.35843 GPRESSAVG: 2753200 29.389 -49.4222 42.7314 -48.4537 -28.8058 27.0411 34.4067 28.0566 5.22329 TIMING: 2753200 CPU: 8294.6, 0.00296407/step Wall: 8294.6, 0.00296407/step, 1.84991 hours remaining, 209.660156 MB of memory in use. ENERGY: 2753200 800.3140 2061.5612 1928.0501 101.4654 -205839.9869 17650.2664 0.0000 0.0000 34672.3167 -148626.0132 302.8020 -183298.3299 -148526.5616 301.5074 -102.2399 -69.6024 558166.5648 1.7825 1.9355 PRESSURE: 2753400 -127.433 -65.0376 -6.70788 -65.0368 119.798 -39.8492 -6.70825 -39.8493 -157.283 GPRESSURE: 2753400 -126.878 -33.4788 -27.6941 -117.98 157.053 29.7185 -6.29317 -55.2826 -114.799 PRESSAVG: 2753400 27.726 -76.4056 5.90467 -76.4056 61.3916 -27.8265 5.90477 -27.8264 -68.5282 GPRESSAVG: 2753400 26.3602 -76.5454 2.91785 -75.4694 62.7537 -26.832 6.58945 -30.3966 -68.7093 TIMING: 2753400 CPU: 8295.2, 0.00296717/step Wall: 8295.2, 0.00296717/step, 1.85168 hours remaining, 209.660156 MB of memory in use. ENERGY: 2753400 728.4438 2071.0122 1971.0623 116.4841 -205859.9885 17737.5776 0.0000 0.0000 34530.5920 -148704.8164 301.5642 -183235.4084 -148606.0069 301.1982 -54.9724 -28.2077 559137.8707 6.8632 6.8015 PRESSURE: 2753600 -184.873 -71.071 -14.4518 -71.0716 -72.7951 59.282 -14.4528 59.2814 -62.9938 GPRESSURE: 2753600 -163.694 -145.477 -83.3038 -4.97297 4.63074 66.1719 -45.8637 72.6658 -69.0219 PRESSAVG: 2753600 35.9687 -19.6907 1.7719 -19.6907 4.95158 43.6323 1.77191 43.6324 -60.9953 GPRESSAVG: 2753600 36.8199 -19.3862 0.666054 -20.5951 5.00028 42.2536 4.1001 45.482 -61.8737 TIMING: 2753600 CPU: 8295.79, 0.00297846/step Wall: 8295.79, 0.00297846/step, 1.85856 hours remaining, 209.660156 MB of memory in use. ENERGY: 2753600 749.0600 2114.4465 1930.5300 114.2791 -205789.8658 17629.2873 0.0000 0.0000 34591.0269 -148661.2359 302.0920 -183252.2628 -148571.0442 301.8013 -106.8873 -76.0283 557788.2313 -6.6917 -6.6845 PRESSURE: 2753800 90.7335 92.8458 13.2126 92.8462 218.741 -210.232 13.2131 -210.23 85.3909 GPRESSURE: 2753800 145.662 107.035 2.56822 84.6645 305.237 -125.571 1.08287 -236.221 46.7276 PRESSAVG: 2753800 38.5776 -2.64213 -56.7571 -2.64213 -53.2915 -14.3975 -56.7571 -14.3975 17.635 GPRESSAVG: 2753800 37.6647 -2.10962 -55.1225 -4.7469 -52.9502 -15.48 -58.9762 -13.8419 18.9954 TIMING: 2753800 CPU: 8296.39, 0.00298696/step Wall: 8296.39, 0.00298696/step, 1.86369 hours remaining, 209.660156 MB of memory in use. ENERGY: 2753800 747.2169 2111.4148 1938.6265 104.6002 -206172.8619 17991.4477 0.0000 0.0000 34440.1126 -148839.4432 300.7741 -183279.5559 -148750.4550 300.9914 131.6217 165.8754 558069.4735 0.9737 1.2366 PRESSURE: 2754000 96.0061 -110.254 79.5217 -110.252 -261 31.4829 79.5211 31.4843 106.245 GPRESSURE: 2754000 100.545 -63.7601 100.803 -102.399 -230.894 55.046 95.9095 21.6696 159.215 PRESSAVG: 2754000 56.9861 -26.3716 -49.4568 -26.3715 -84.3113 -36.8696 -49.4569 -36.8696 1.09791 GPRESSAVG: 2754000 57.4489 -27.1953 -49.5729 -23.7748 -84.3586 -33.4745 -48.9819 -39.1994 0.272198 TIMING: 2754000 CPU: 8296.98, 0.00296869/step Wall: 8296.98, 0.00296869/step, 1.85213 hours remaining, 209.660156 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: 2754000 754.7059 2105.5770 1941.7744 115.4475 -206203.3965 17800.5685 0.0000 0.0000 34497.9349 -148987.3882 301.2790 -183485.3231 -148890.5248 300.1965 -19.5829 9.6220 558473.6703 -8.7424 -8.8792 PRESSURE: 2754200 56.2665 -54.7671 11.9322 -54.7674 -34.2799 21.0801 11.9329 21.0808 139.131 GPRESSURE: 2754200 91.3655 -103.095 -26.2112 33.1887 -18.0824 -32.3759 43.3428 21.3508 200.354 PRESSAVG: 2754200 24.0495 -6.51001 -5.79006 -6.50993 -22.0347 1.74703 -5.79001 1.74693 6.16935 GPRESSAVG: 2754200 24.4849 -6.93731 -8.63543 -4.55906 -23.2492 -0.705725 -3.42834 3.72844 6.98253 TIMING: 2754200 CPU: 8297.57, 0.00295242/step Wall: 8297.57, 0.00295242/step, 1.84182 hours remaining, 209.660156 MB of memory in use. ENERGY: 2754200 723.7187 2104.0296 1952.6661 102.0990 -206028.1469 17799.8103 0.0000 0.0000 34424.4075 -148921.4157 300.6369 -183345.8231 -148820.1308 300.4234 53.7057 91.2124 558316.9684 2.7280 2.7394 PRESSURE: 2754400 -35.9197 -88.5134 153.278 -88.5138 -249.673 8.82818 153.278 8.82867 -113.213 GPRESSURE: 2754400 -0.333668 -103.23 149.923 -73.2743 -212.499 13.0317 76.6792 24.0631 -82.7166 PRESSAVG: 2754400 60.5585 -21.9242 -34.448 -21.9241 -57.5889 5.86625 -34.448 5.86605 -12.0246 GPRESSAVG: 2754400 58.9027 -22.1689 -30.4965 -25.6264 -54.2188 6.48469 -38.7472 4.54403 -14.0312 TIMING: 2754400 CPU: 8298.17, 0.0029697/step Wall: 8298.17, 0.0029697/step, 1.85243 hours remaining, 209.660156 MB of memory in use. ENERGY: 2754400 782.5238 2127.5360 1917.9435 110.6232 -205952.2954 17594.4104 0.0000 0.0000 34485.0091 -148934.2493 301.1662 -183419.2584 -148836.2744 300.2524 -132.9351 -98.5163 557301.7542 -3.0183 -3.1157 PRESSURE: 2754600 172.008 -15.9048 3.7141 -15.904 -96.6381 119.328 3.71353 119.327 -213.364 GPRESSURE: 2754600 175.648 40.1118 -12.4906 -87.0382 -15.7323 233.337 29.354 130.73 -200.132 PRESSAVG: 2754600 34.4066 -17.8042 -41.6883 -17.8042 40.2896 -20.7797 -41.6883 -20.7797 -51.1523 GPRESSAVG: 2754600 34.4499 -16.1617 -44.0541 -15.112 39.3047 -21.6459 -40.098 -19.7482 -50.12 TIMING: 2754600 CPU: 8298.76, 0.00298561/step Wall: 8298.76, 0.00298561/step, 1.86219 hours remaining, 209.660156 MB of memory in use. ENERGY: 2754600 805.6329 2133.0249 1938.0482 109.0819 -206189.4202 17863.4544 0.0000 0.0000 34331.7074 -149008.4705 299.8273 -183340.1779 -148913.7129 300.1562 -45.9983 -13.4053 557175.2427 7.8479 7.8782 PRESSURE: 2754800 214.113 157.888 -63.7035 157.888 187.267 162.274 -63.7042 162.273 516.927 GPRESSURE: 2754800 262.918 92.5709 -47.32 127.789 227.408 180.674 -32.9807 192.601 511.799 PRESSAVG: 2754800 71.0523 -31.8138 44.0291 -31.8138 -19.8168 -25.3039 44.0291 -25.304 -58.7725 GPRESSAVG: 2754800 70.7562 -31.8743 43.495 -32.7829 -20.2743 -22.1336 43.7456 -25.3748 -57.9048 TIMING: 2754800 CPU: 8299.36, 0.00298516/step Wall: 8299.36, 0.00298516/step, 1.86175 hours remaining, 209.660156 MB of memory in use. ENERGY: 2754800 724.3106 2130.7366 1942.2561 106.6354 -206462.9850 18228.8302 0.0000 0.0000 34406.3175 -148923.8987 300.4789 -183330.2162 -148831.8269 299.5993 306.1026 334.0417 558002.2283 -2.5123 -2.4743 PRESSURE: 2755000 289.259 -15.3251 279.429 -15.324 17.9887 191.68 279.431 191.682 116.514 GPRESSURE: 2755000 320.567 -45.4889 353.388 8.84788 112.739 187.953 218.694 187.915 89.1328 PRESSAVG: 2755000 -22.8196 -5.95946 28.0924 -5.95945 -6.79179 20.7415 28.0924 20.7415 -2.163 GPRESSAVG: 2755000 -20.9662 -6.72279 29.9953 -5.91289 -7.56777 18.236 29.3635 21.3731 -3.30137 TIMING: 2755000 CPU: 8299.96, 0.00300803/step Wall: 8299.96, 0.00300803/step, 1.87584 hours remaining, 209.726562 MB of memory in use. ENERGY: 2755000 727.5458 2121.3616 1919.4370 111.8319 -206224.7923 17974.0994 0.0000 0.0000 34169.7510 -149200.7656 298.4129 -183370.5165 -149108.9353 299.2829 141.2539 174.1461 556938.7313 -10.5915 -10.6118 PRESSURE: 2755200 109.988 40.9316 -6.39049 40.9316 175.626 33.5266 -6.39076 33.5264 209.891 GPRESSURE: 2755200 123.32 10.612 -32.0716 127.448 242.281 77.5614 38.4787 46.3789 222.86 PRESSAVG: 2755200 -9.93025 18.7995 52.9817 18.7996 2.60324 -48.4476 52.9817 -48.4478 32.2567 GPRESSAVG: 2755200 -9.8871 19.6143 53.8498 19.9451 1.3495 -47.3654 53.1668 -48.2607 33.7456 TIMING: 2755200 CPU: 8300.56, 0.00298723/step Wall: 8300.56, 0.00298723/step, 1.8627 hours remaining, 209.726562 MB of memory in use. ENERGY: 2755200 770.5269 2145.5108 1946.7494 119.1880 -206677.4987 18159.3963 0.0000 0.0000 34275.6116 -149260.5158 299.3374 -183536.1273 -149162.9193 299.4264 165.1683 196.1539 555814.4994 8.3099 8.4027 PRESSURE: 2755400 -4.05406 100.53 -62.5204 100.531 -155.14 -152.357 -62.5204 -152.357 -277.848 GPRESSURE: 2755400 35.4994 63.1954 -123.752 12.9293 -110.396 -144.833 -106.203 -172.389 -257.529 PRESSAVG: 2755400 14.5865 16.438 24.3165 16.4379 -27.9619 10.1571 24.3166 10.1571 -28.6087 GPRESSAVG: 2755400 13.567 15.3348 22.0167 15.1015 -26.2782 9.68637 24.7328 8.73108 -29.7673 TIMING: 2755400 CPU: 8301.16, 0.00299233/step Wall: 8301.16, 0.00299233/step, 1.86571 hours remaining, 209.726562 MB of memory in use. ENERGY: 2755400 777.5143 2095.5149 1963.5764 135.3751 -206136.1160 17696.1940 0.0000 0.0000 34309.6493 -149158.2921 299.6347 -183467.9414 -149057.7689 299.8811 -145.6806 -110.8085 556212.0937 -13.9947 -14.1595 PRESSURE: 2755600 6.64158 215.516 151.383 215.515 -185.655 86.238 151.384 86.2399 -201.136 GPRESSURE: 2755600 56.2534 224.56 136.872 219.488 -157.508 81.3906 127.667 70.5437 -180.769 PRESSAVG: 2755600 10.8994 55.1295 20.4735 55.1295 -0.384568 -23.074 20.4736 -23.0739 11.6335 GPRESSAVG: 2755600 11.106 55.6662 22.3051 55.1492 0.00504173 -24.4894 18.8651 -22.0785 11.3338 TIMING: 2755600 CPU: 8301.75, 0.00296348/step Wall: 8301.75, 0.00296348/step, 1.84757 hours remaining, 209.726562 MB of memory in use. ENERGY: 2755600 740.1050 2102.2725 1947.4362 131.3265 -205780.7328 17546.3515 0.0000 0.0000 34265.1453 -149048.0958 299.2460 -183313.2410 -148958.8509 299.8155 -126.7163 -94.0080 558044.5010 7.3828 7.4816 PRESSURE: 2755800 -95.7182 80.2608 55.6289 80.261 -117.944 15.1341 55.6295 15.1337 -193.234 GPRESSURE: 2755800 -25.5285 120.836 84.2409 157.608 -111.354 33.9055 27.2796 51.5228 -177.561 PRESSAVG: 2755800 75.6384 22.9614 -28.047 22.9614 -19.8371 19.1026 -28.047 19.1026 -72.3998 GPRESSAVG: 2755800 76.2422 22.0818 -28.9868 24.6845 -20.7797 21.8041 -27.3814 18.7167 -71.6507 TIMING: 2755800 CPU: 8302.35, 0.00298987/step Wall: 8302.35, 0.00298987/step, 1.86385 hours remaining, 209.726562 MB of memory in use. ENERGY: 2755800 789.3140 2121.8560 1956.4497 103.5809 -205866.7548 17564.5844 0.0000 0.0000 34261.1679 -149069.8018 299.2113 -183330.9697 -148971.4759 299.7373 -135.6322 -104.8144 557647.7355 -5.5328 -5.3960 PRESSURE: 2756000 -250.512 -104.163 -70.3009 -104.161 -7.10935 -88.0004 -70.3016 -88.0002 198.39 GPRESSURE: 2756000 -142.251 -112.042 -52.103 -19.3198 24.0714 -135.737 -67.2962 -100.078 161.398 PRESSAVG: 2756000 61.2192 26.3302 -21.327 26.3303 -72.4643 -44.888 -21.327 -44.888 24.7188 GPRESSAVG: 2756000 61.3575 29.506 -21.9601 24.0556 -72.4664 -48.6054 -23.8067 -44.3419 24.9752 TIMING: 2756000 CPU: 8302.95, 0.00301737/step Wall: 8302.95, 0.00301737/step, 1.88083 hours remaining, 209.726562 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: 2756000 763.3419 2120.9115 1917.3083 108.5671 -206290.0638 17905.4017 0.0000 0.0000 34324.1310 -149150.4024 299.7612 -183474.5334 -149053.1941 299.7872 -19.7439 14.4062 557949.4814 4.4912 4.6221 PRESSURE: 2756200 -29.5696 84.7763 20.545 84.7761 -302.611 -48.7177 20.5444 -48.7162 -268.552 GPRESSURE: 2756200 6.14533 175.272 -14.0676 77.9837 -312.536 -119.555 27.7676 -31.5516 -199.782 PRESSAVG: 2756200 21.0675 -13.2216 -64.4167 -13.2216 -13.9924 29.2372 -64.4168 29.2372 -16.2297 GPRESSAVG: 2756200 21.1593 -14.5513 -63.8159 -10.8598 -12.6776 30.9189 -63.0285 30.2149 -18.2462 TIMING: 2756200 CPU: 8303.56, 0.00301696/step Wall: 8303.56, 0.00301696/step, 1.8804 hours remaining, 209.726562 MB of memory in use. ENERGY: 2756200 738.8348 2126.3745 1941.9908 118.7583 -205901.6556 17569.9950 0.0000 0.0000 34264.6351 -149141.0671 299.2416 -183405.7021 -149037.8818 298.9376 -200.2443 -168.7243 557615.6304 -3.0515 -3.2548 LDB: ============= START OF LOAD BALANCING ============== 8307.08 LDB: ============== END OF LOAD BALANCING =============== 8307.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8307.08 LDB: ============= START OF LOAD BALANCING ============== 8307.38 LDB: Largest compute 4772 load 0.025906 is 21.9% of average load 0.118150 LDB: Average compute 0.001721 is 1.5% of average load 0.118150 LDB: TIME 8307.39 LOAD: AVG 0.11815 MAX 0.209902 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.453 MB LDB: TIME 8307.39 LOAD: AVG 0.11815 MAX 0.209902 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.656 MB LDB: TIME 8307.39 LOAD: AVG 0.11815 MAX 0.209902 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.656 MB LDB: ============== END OF LOAD BALANCING =============== 8307.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8307.39 PRESSURE: 2756400 -284.558 -45.9555 41.0526 -45.9567 132.275 72.3537 41.0522 72.3552 -2.05749 GPRESSURE: 2756400 -192.738 11.7644 3.52496 -117.887 129.249 32.2714 76.1213 8.43889 20.0877 PRESSAVG: 2756400 49.2697 19.1324 -42.5368 19.1326 22.4966 23.3466 -42.5368 23.3466 -64.3092 GPRESSAVG: 2756400 48.5676 19.5345 -43.4782 18.1558 21.8861 24.6458 -42.5281 22.2508 -63.524 TIMING: 2756400 CPU: 8304.18, 0.00309522/step Wall: 8304.18, 0.00309522/step, 1.92901 hours remaining, 210.414062 MB of memory in use. ENERGY: 2756400 744.1562 2105.8479 1934.9729 101.3555 -205991.8130 17579.3202 0.0000 0.0000 34341.0375 -149185.1227 299.9088 -183526.1602 -149077.2833 299.4667 -51.4469 -14.4670 557171.7479 2.4857 2.3099 PRESSURE: 2756600 90.0398 76.2375 65.6768 76.2387 -165.495 -95.3937 65.6762 -95.3948 -168.159 GPRESSURE: 2756600 106.314 68.3515 140.398 1.83902 -167.354 -80.2017 36.9624 -28.4925 -87.382 PRESSAVG: 2756600 4.10211 -11.2207 -9.48961 -11.2207 4.38119 28.2617 -9.48959 28.2618 -54.385 GPRESSAVG: 2756600 4.47296 -11.4746 -10.7812 -12.4709 4.68552 28.3897 -9.18688 27.5287 -54.3296 TIMING: 2756600 CPU: 8304.78, 0.00302486/step Wall: 8304.78, 0.00302486/step, 1.88499 hours remaining, 210.617188 MB of memory in use. ENERGY: 2756600 735.3259 2111.6871 1923.9209 113.2099 -206089.5640 17771.4619 0.0000 0.0000 34163.7980 -149270.1602 298.3609 -183433.9582 -149180.6853 298.9578 -81.2047 -49.4739 558727.3869 -15.3006 -15.0570 PRESSURE: 2756800 -535.254 4.1564 17.8871 4.15587 -179.098 190.752 17.8876 190.752 -400.115 GPRESSURE: 2756800 -469.383 73.5973 -48.6864 -56.6213 -192.366 138.523 86.8683 250.682 -351.844 PRESSAVG: 2756800 -14.8693 -26.5018 16.8511 -26.5018 28.3869 56.1838 16.8512 56.1837 7.28733 GPRESSAVG: 2756800 -15.1176 -24.8779 19.9383 -24.2992 28.2504 52.7207 14.7336 58.951 7.57421 TIMING: 2756800 CPU: 8305.38, 0.00301136/step Wall: 8305.38, 0.00301136/step, 1.87641 hours remaining, 210.617188 MB of memory in use. ENERGY: 2756800 759.2461 2084.1602 1919.0540 118.8487 -205660.8692 17298.7385 0.0000 0.0000 34165.7209 -149315.1008 298.3777 -183480.8217 -149217.0530 299.1140 -371.4894 -337.8645 557973.1025 6.9350 6.9023 PRESSURE: 2757000 -207.012 -27.809 83.4619 -27.8092 -284.481 13.286 83.4615 13.2857 -341.645 GPRESSURE: 2757000 -166.02 -79.8009 104.954 28.3383 -300.697 54.5618 52.0946 4.1685 -260.779 PRESSAVG: 2757000 -12.1461 -27.058 -9.64827 -27.0579 26.2676 -25.4115 -9.64832 -25.4116 -12.1864 GPRESSAVG: 2757000 -11.7582 -27.6665 -11.3247 -30.1726 26.4492 -22.9018 -6.66324 -28.0975 -12.4877 TIMING: 2757000 CPU: 8305.99, 0.00301924/step Wall: 8305.99, 0.00301924/step, 1.88115 hours remaining, 210.617188 MB of memory in use. ENERGY: 2757000 769.5043 2029.2456 1944.9099 113.8518 -206137.0634 17755.2968 0.0000 0.0000 34289.8348 -149234.4203 299.4617 -183524.2551 -149141.0709 299.2804 -277.7129 -242.4986 558687.0300 0.6450 0.7344 PRESSURE: 2757200 191.826 -191.864 -20.2958 -191.865 -287.174 -101.367 -20.296 -101.365 69.0381 GPRESSURE: 2757200 250.156 -248.128 95.9796 -111.441 -217.571 -31.3269 -39.3265 -156.924 39.5954 PRESSAVG: 2757200 11.2866 -10.2215 -30.1342 -10.2216 -6.29601 -23.1673 -30.1342 -23.1674 -24.8127 GPRESSAVG: 2757200 10.0225 -11.246 -28.9675 -8.28089 -7.15898 -22.8795 -30.723 -23.5075 -22.7858 TIMING: 2757200 CPU: 8306.59, 0.00299677/step Wall: 8306.59, 0.00299677/step, 1.86699 hours remaining, 210.617188 MB of memory in use. ENERGY: 2757200 775.2249 2029.5289 1962.2740 125.2766 -206395.3812 17870.3090 0.0000 0.0000 34501.6027 -149131.1651 301.3111 -183632.7678 -149028.6906 299.5305 -8.7701 24.0603 557450.7280 -6.6074 -6.6408 PRESSURE: 2757400 88.1266 68.6307 -28.3773 68.632 86.3757 -31.3388 -28.3776 -31.3382 70.6111 GPRESSURE: 2757400 106.748 141.277 -24.1007 -12.3198 52.2686 -31.9493 124.002 35.6121 187.486 PRESSAVG: 2757400 -2.72154 -15.5964 -26.7767 -15.5964 -1.83568 15.9444 -26.7768 15.9444 6.33845 GPRESSAVG: 2757400 -2.02977 -16.0164 -27.2841 -16.0684 -1.54111 14.8052 -24.7313 17.5018 5.62717 TIMING: 2757400 CPU: 8307.19, 0.00301188/step Wall: 8307.19, 0.00301188/step, 1.87623 hours remaining, 210.617188 MB of memory in use. ENERGY: 2757400 727.1993 2115.7038 1957.4839 126.9868 -205790.0963 17799.9729 0.0000 0.0000 34174.2049 -148888.5448 298.4518 -183062.7497 -148791.6221 299.4575 81.7045 115.5006 558434.0564 0.5937 0.6854 PRESSURE: 2757600 70.9047 77.1902 -49.6977 77.19 -222.983 -29.4976 -49.6989 -29.4982 -77.6194 GPRESSURE: 2757600 46.4307 84.7475 -146.287 99.1788 -80.4505 -38.3511 -2.24612 -31.6308 -95.9269 PRESSAVG: 2757600 16.5329 5.07233 -33.0363 5.07239 -24.9416 31.1324 -33.0363 31.1326 14.9736 GPRESSAVG: 2757600 16.5665 4.80799 -32.1606 6.94239 -24.0787 31.6895 -36.1034 32.0179 14.0955 TIMING: 2757600 CPU: 8307.79, 0.00301368/step Wall: 8307.79, 0.00301368/step, 1.87719 hours remaining, 210.617188 MB of memory in use. ENERGY: 2757600 751.5310 2050.2494 1926.4144 114.5615 -206042.8089 17863.0499 0.0000 0.0000 34397.3166 -148939.6860 300.4003 -183337.0026 -148844.2891 300.0455 -76.5658 -43.3156 557223.1159 2.1883 2.1944 PRESSURE: 2757800 37.4452 378.295 49.9859 378.296 -123.998 16.9723 49.986 16.9721 129.928 GPRESSURE: 2757800 30.9 499.217 7.3965 266.168 -15.5515 37.7812 24.2406 35.0487 127.644 PRESSAVG: 2757800 8.99791 23.8302 9.41868 23.8302 -16.226 11.0123 9.41863 11.0124 -15.3533 GPRESSAVG: 2757800 8.64031 24.6782 10.3017 22.8037 -16.6144 10.7731 9.17335 10.6126 -14.7165 TIMING: 2757800 CPU: 8308.39, 0.00300237/step Wall: 8308.39, 0.00300237/step, 1.86998 hours remaining, 210.617188 MB of memory in use. ENERGY: 2757800 737.9292 2085.7937 1918.6187 110.0357 -205941.8879 17794.6718 0.0000 0.0000 34269.8593 -149024.9795 299.2872 -183294.8388 -148924.2593 299.6651 14.4584 47.6641 556442.6024 -7.5271 -7.5635 PRESSURE: 2758000 40.6278 -1.17307 -54.7622 -1.17223 83.6883 59.3041 -54.7607 59.3041 97.3235 GPRESSURE: 2758000 46.7401 6.39685 -43.6984 42.7827 72.1767 53.0896 -12.2072 102.961 200.813 PRESSAVG: 2758000 10.3688 -23.6605 21.9726 -23.6605 -47.5584 17.0553 21.9727 17.0552 36.4831 GPRESSAVG: 2758000 10.8417 -23.6602 19.532 -24.5158 -48.4918 16.6606 22.0299 18.3679 36.7759 TIMING: 2758000 CPU: 8308.99, 0.00299194/step Wall: 8308.99, 0.00299194/step, 1.86332 hours remaining, 210.617188 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: 2758000 737.3018 2092.7934 1928.0994 128.4690 -206141.2812 17772.5484 0.0000 0.0000 34375.2610 -149106.8082 300.2077 -183482.0692 -149016.2416 299.3501 73.8799 106.5765 557195.4781 -0.2355 -0.2914 PRESSURE: 2758200 -373.954 -15.3904 85.9443 -15.39 -248.224 186.094 85.943 186.092 -159.411 GPRESSURE: 2758200 -350.804 -33.1614 119.383 -10.5808 -196.829 207.458 87.5985 173.085 -133.332 PRESSAVG: 2758200 36.6345 -22.583 -37.0352 -22.583 18.1091 3.17443 -37.0351 3.17451 -0.768167 GPRESSAVG: 2758200 35.7924 -23.5806 -36.1077 -21.2641 19.6339 4.67848 -35.2718 1.41928 -1.93002 TIMING: 2758200 CPU: 8309.59, 0.00301145/step Wall: 8309.59, 0.00301145/step, 1.8753 hours remaining, 210.617188 MB of memory in use. ENERGY: 2758200 760.3447 2072.4239 1933.2370 106.1780 -205614.0192 17346.9812 0.0000 0.0000 34349.5696 -149045.2848 299.9833 -183394.8544 -148948.9953 300.4337 -260.5295 -226.9882 557262.8782 17.9918 17.8321 PRESSURE: 2758400 -69.0761 44.2688 166.834 44.2681 -12.927 52.5394 166.835 52.5382 90.5707 GPRESSURE: 2758400 -29.0432 52.613 174.269 25.4559 17.8858 66.3335 163.411 54.6986 118.584 PRESSAVG: 2758400 -40.284 -35.1963 -17.5084 -35.1963 -0.636761 -17.3661 -17.5084 -17.3662 17.4905 GPRESSAVG: 2758400 -40.09 -34.0378 -17.281 -34.9486 -1.53725 -20.599 -19.4535 -14.675 18.1508 TIMING: 2758400 CPU: 8310.19, 0.00299713/step Wall: 8310.19, 0.00299713/step, 1.86622 hours remaining, 210.617188 MB of memory in use. ENERGY: 2758400 707.7602 2124.4576 1934.7140 114.7939 -206047.4799 17783.7915 0.0000 0.0000 34270.1412 -149111.8216 299.2897 -183381.9628 -149017.6351 299.6260 2.8559 35.8090 557620.9907 -7.8101 -7.8255 PRESSURE: 2758600 244.764 75.7186 -40.4899 75.7196 104.761 28.7787 -40.4889 28.7779 6.7399 GPRESSURE: 2758600 295.37 40.686 -60.7174 108.177 144.896 51.7372 6.96945 9.87644 13.0921 PRESSAVG: 2758600 20.7593 64.0881 -25.2178 64.088 -13.0532 44.1297 -25.2178 44.1297 10.4017 GPRESSAVG: 2758600 20.2276 62.9645 -25.859 64.7475 -11.9777 47.6779 -23.9849 41.7159 10.0245 TIMING: 2758600 CPU: 8310.79, 0.00300948/step Wall: 8310.79, 0.00300948/step, 1.87374 hours remaining, 210.617188 MB of memory in use. ENERGY: 2758600 746.8516 2035.3187 1937.6990 115.0856 -206424.6363 18050.4887 0.0000 0.0000 34456.0253 -149083.1674 300.9130 -183539.1927 -148989.3319 299.9285 118.7550 151.1194 558041.8215 6.0359 6.0915 PRESSURE: 2758800 -120.349 37.4155 -62.3069 37.4148 -43.6343 99.0941 -62.3055 99.0949 -210.512 GPRESSURE: 2758800 -128.326 -16.9184 -50.1344 93.7372 -10.0951 12.5989 -83.1015 83.183 -144.543 PRESSAVG: 2758800 -22.1979 17.6854 40.9512 17.6854 1.57658 8.68655 40.9513 8.68653 -42.3548 GPRESSAVG: 2758800 -20.9362 18.6442 43.7148 16.4585 1.11969 5.7363 39.9232 11.6681 -42.7536 TIMING: 2758800 CPU: 8311.4, 0.00300813/step Wall: 8311.4, 0.00300813/step, 1.87273 hours remaining, 210.687500 MB of memory in use. ENERGY: 2758800 731.9465 2082.0152 1915.9070 112.7280 -205927.6386 17681.5109 0.0000 0.0000 34052.0962 -149351.4348 297.3854 -183403.5310 -149257.0307 299.2767 -124.8320 -94.3212 558705.0147 -20.9920 -20.8567 PRESSURE: 2759000 -195.602 -14.0084 -110.33 -14.0075 296.818 123.257 -110.33 123.258 -321.092 GPRESSURE: 2759000 -175.892 18.565 -81.9071 14.8588 308.48 97.2291 -122.085 -11.8748 -251.001 PRESSAVG: 2759000 -0.625343 16.44 -14.5591 16.44 40.1523 26.2241 -14.5591 26.2242 -44.2961 GPRESSAVG: 2759000 -0.304035 14.4504 -17.2172 15.5684 39.3684 26.2801 -14.5566 24.8869 -43.4928 TIMING: 2759000 CPU: 8311.99, 0.00298824/step Wall: 8311.99, 0.00298824/step, 1.86018 hours remaining, 210.687500 MB of memory in use. ENERGY: 2759000 757.1040 2116.5813 1952.4344 115.3709 -206281.6530 17647.4534 0.0000 0.0000 34288.1322 -149404.5768 299.4468 -183692.7089 -149308.8811 298.5521 -73.2918 -39.4711 556983.4588 -1.5897 -1.4761 PRESSURE: 2759200 62.67 56.1748 -89.2675 56.175 -104.028 21.5875 -89.2685 21.5873 23.9878 GPRESSURE: 2759200 129.162 76.8481 -45.7609 83.3169 -64.7823 103.173 -113.443 -49.1152 23.3577 PRESSAVG: 2759200 42.8477 9.28763 -25.8878 9.28758 18.0811 2.40544 -25.8878 2.40539 -62.966 GPRESSAVG: 2759200 42.0644 8.35576 -24.9404 11.3403 17.7632 4.00569 -26.0274 0.672198 -62.0551 TIMING: 2759200 CPU: 8312.59, 0.00299917/step Wall: 8312.59, 0.00299917/step, 1.86682 hours remaining, 210.687500 MB of memory in use. ENERGY: 2759200 750.9783 2101.4926 1929.0048 123.1805 -206553.4525 17920.5169 0.0000 0.0000 34386.2772 -149342.0022 300.3039 -183728.2794 -149248.8576 299.1140 -5.7899 29.2459 556394.5613 -0.6791 -0.7425 PRESSURE: 2759400 -63.153 -131.894 -194.423 -131.894 -210.138 -34.9583 -194.424 -34.9582 -325.317 GPRESSURE: 2759400 -99.4391 -99.0629 -158.959 -148.551 -188.866 -31.0084 -206.276 -88.6992 -216.135 PRESSAVG: 2759400 45.3905 -8.91999 6.38681 -8.92003 -15.3097 -9.65825 6.38667 -9.65826 -28.7601 GPRESSAVG: 2759400 45.4441 -7.54132 6.05773 -11.5997 -14.1167 -11.4686 7.86119 -8.60229 -29.8784 TIMING: 2759400 CPU: 8313.19, 0.00300859/step Wall: 8313.19, 0.00300859/step, 1.87251 hours remaining, 210.687500 MB of memory in use. ENERGY: 2759400 761.0453 2135.4983 1921.3081 99.4316 -206356.7853 17637.5822 0.0000 0.0000 34572.9448 -149228.9750 301.9341 -183801.9199 -149127.8700 299.7747 -199.5361 -168.1466 558490.9936 0.4402 0.4830 PRESSURE: 2759600 129.975 26.3979 -131.742 26.3984 -216.868 148.707 -131.742 148.707 -16.7664 GPRESSURE: 2759600 204.62 -2.52452 -74.295 50.7497 -249.904 244.581 -125.44 8.56547 47.2538 PRESSAVG: 2759600 35.2752 -16.4369 -23.5703 -16.4369 10.2378 30.0393 -23.5702 30.0394 -11.0043 GPRESSAVG: 2759600 34.7675 -15.9056 -23.9234 -15.0469 10.2609 31.4731 -24.272 26.5412 -10.5429 TIMING: 2759600 CPU: 8313.8, 0.00301857/step Wall: 8313.8, 0.00301857/step, 1.87856 hours remaining, 210.687500 MB of memory in use. ENERGY: 2759600 698.8852 2112.2334 1937.9683 92.1197 -206050.1433 17711.7530 0.0000 0.0000 34400.4270 -149096.7566 300.4275 -183497.1836 -149000.9345 300.3003 -34.5533 0.6566 558335.7252 11.5029 11.4952 PRESSURE: 2759800 -168.85 26.8489 -88.7102 26.8492 101.379 -114.191 -88.7103 -114.191 -33.5342 GPRESSURE: 2759800 -149.745 33.2755 -120.168 5.91977 163.241 -89.0504 -54.9249 -165.414 -16.0811 PRESSAVG: 2759800 6.68517 -46.3764 -65.9082 -46.3764 -8.27642 3.86543 -65.9083 3.86541 -2.55715 GPRESSAVG: 2759800 6.62847 -47.2021 -66.1489 -47.8292 -8.1903 3.37645 -64.4848 5.36772 -2.94095 TIMING: 2759800 CPU: 8314.4, 0.0030203/step Wall: 8314.4, 0.0030203/step, 1.87947 hours remaining, 210.687500 MB of memory in use. ENERGY: 2759800 733.5062 2100.2167 1945.1401 102.9389 -206058.1798 17705.4234 0.0000 0.0000 34408.2774 -149062.6771 300.4960 -183470.9545 -148966.8465 300.6710 -33.6685 -0.8616 556914.3064 -1.3828 -1.5009 PRESSURE: 2760000 -112.091 -145.837 111.751 -145.838 -189.864 48.8491 111.751 48.8495 57.1259 GPRESSURE: 2760000 -64.9806 -61.0461 126.046 -190.556 -141.227 51.6298 63.621 -8.27155 42.5034 PRESSAVG: 2760000 18.2679 -9.49368 -39.9146 -9.49372 -1.30475 -52.6114 -39.9146 -52.6115 13.2705 GPRESSAVG: 2760000 18.516 -9.26273 -37.0123 -8.46637 -2.20025 -53.6132 -41.4532 -50.8659 13.7224 TIMING: 2760000 CPU: 8315.01, 0.0030186/step Wall: 8315.01, 0.0030186/step, 1.87824 hours remaining, 210.687500 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: 2760000 776.7422 2098.2499 1926.3840 109.7815 -205970.3443 17587.8181 0.0000 0.0000 34377.0919 -149094.2767 300.2237 -183471.3686 -148994.1229 300.2461 -81.6096 -54.5680 556912.2814 10.0779 10.0127 PRESSURE: 2760200 -32.078 24.3527 -115.669 24.3538 143.218 119.708 -115.668 119.709 7.33436 GPRESSURE: 2760200 36.4899 -9.72489 -109.43 74.5526 174.606 101.515 -135.79 126.849 -3.11357 PRESSAVG: 2760200 45.1618 -14.6573 35.8097 -14.6574 -7.43859 13.1511 35.8096 13.1511 -31.4647 GPRESSAVG: 2760200 45.0379 -13.4226 33.9782 -16.1724 -6.41115 16.6725 35.0178 11.824 -31.8928 TIMING: 2760200 CPU: 8315.61, 0.00303737/step Wall: 8315.61, 0.00303737/step, 1.88975 hours remaining, 210.687500 MB of memory in use. ENERGY: 2760200 703.1330 2093.7421 1922.9333 116.4594 -205963.6027 17744.3194 0.0000 0.0000 34158.8624 -149224.1530 298.3178 -183383.0154 -149127.2693 299.0880 39.4914 69.3273 557390.6947 2.0862 2.2446 LDB: ============= START OF LOAD BALANCING ============== 8319.13 LDB: ============== END OF LOAD BALANCING =============== 8319.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8319.14 LDB: ============= START OF LOAD BALANCING ============== 8319.44 LDB: Largest compute 4772 load 0.024925 is 21.1% of average load 0.118144 LDB: Average compute 0.001727 is 1.5% of average load 0.118144 LDB: TIME 8319.44 LOAD: AVG 0.118144 MAX 0.210641 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.363 MB LDB: TIME 8319.44 LOAD: AVG 0.118144 MAX 0.210641 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.363 MB LDB: TIME 8319.44 LOAD: AVG 0.118144 MAX 0.210641 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.363 MB LDB: ============== END OF LOAD BALANCING =============== 8319.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8319.45 PRESSURE: 2760400 79.1572 2.56967 -86.3854 2.56935 138.874 -103.24 -86.3852 -103.24 122.069 GPRESSURE: 2760400 114.585 -24.4046 -201.933 -46.0064 141.151 -90.2629 -8.96579 -54.9254 185.446 PRESSAVG: 2760400 -33.7074 -27.7103 20.5894 -27.7102 -29.7571 -9.95554 20.5894 -9.95565 35.4789 GPRESSAVG: 2760400 -33.1229 -30.5209 19.221 -24.646 -30.4333 -10.7294 22.558 -9.01261 35.484 TIMING: 2760400 CPU: 8316.23, 0.00309429/step Wall: 8316.23, 0.00309429/step, 1.92499 hours remaining, 208.996094 MB of memory in use. ENERGY: 2760400 725.4253 2110.3748 1945.5818 106.3919 -206208.0946 17872.4430 0.0000 0.0000 34281.2940 -149166.5837 299.3871 -183447.8777 -149064.4774 298.9898 113.3666 147.0606 557044.7209 -9.3285 -9.3574 PRESSURE: 2760600 34.2877 -125.539 -30.4124 -125.538 119.275 -43.8856 -30.4125 -43.8869 -159.251 GPRESSURE: 2760600 37.5414 -189.585 40.2123 -67.92 159.898 -50.4624 -24.9979 -8.34582 -97.9681 PRESSAVG: 2760600 54.5362 -22.8769 -64.9469 -22.877 -11.2825 -17.5361 -64.947 -17.536 -32.3104 GPRESSAVG: 2760600 54.0763 -20.8423 -63.655 -23.5281 -11.6603 -21.0544 -64.505 -18.0184 -31.4841 TIMING: 2760600 CPU: 8316.84, 0.00305061/step Wall: 8316.84, 0.00305061/step, 1.89765 hours remaining, 209.199219 MB of memory in use. ENERGY: 2760600 731.9244 2073.9173 1915.8574 111.7531 -206386.0387 17854.2986 0.0000 0.0000 34400.0140 -149298.2740 300.4239 -183698.2879 -149195.3822 299.4743 -1.8960 33.1571 557147.7538 3.6478 3.6440 PRESSURE: 2760800 -110.546 46.3626 -254.422 46.3633 131.298 196.781 -254.422 196.781 -35.9298 GPRESSURE: 2760800 -132.933 103.741 -303.068 -98.3334 210.035 189.678 -243.016 236.197 2.41224 PRESSAVG: 2760800 -65.0217 16.3467 -3.79465 16.3467 10.0806 3.30145 -3.79469 3.30135 45.4877 GPRESSAVG: 2760800 -64.9363 16.1136 -3.72406 15.8774 10.5984 4.11326 -3.66629 6.11162 44.8642 TIMING: 2760800 CPU: 8317.45, 0.00303498/step Wall: 8317.45, 0.00303499/step, 1.88776 hours remaining, 209.199219 MB of memory in use. ENERGY: 2760800 730.5666 2185.0922 1956.2173 113.5925 -206302.3129 17851.0418 0.0000 0.0000 34226.2579 -149239.5446 298.9064 -183465.8025 -149137.0853 299.3715 -5.0594 26.5049 557165.7403 -3.1511 -3.1579 PRESSURE: 2761000 -109.466 163.469 62.584 163.47 -204.446 56.8118 62.5838 56.8125 19.8505 GPRESSURE: 2761000 -79.499 137.943 118.38 205.624 -195.822 -8.71571 119.781 94.451 70.473 PRESSAVG: 2761000 25.1957 74.4087 -11.6315 74.4087 4.17633 2.74712 -11.6315 2.74718 11.279 GPRESSAVG: 2761000 24.2636 75.0438 -12.2341 74.8496 5.24561 3.83489 -11.7353 -0.111654 10.4071 TIMING: 2761000 CPU: 8318.04, 0.00297809/step Wall: 8318.04, 0.00297809/step, 1.85221 hours remaining, 209.199219 MB of memory in use. ENERGY: 2761000 763.4919 2103.6347 1974.3083 108.1728 -206262.8039 17697.2207 0.0000 0.0000 34258.0585 -149357.9170 299.1841 -183615.9755 -149267.3602 299.1626 -98.0204 -68.2825 556056.2801 13.5503 13.3054 PRESSURE: 2761200 -292.752 -7.20199 8.30044 -7.20061 -125.138 137.476 8.30064 137.474 -101.569 GPRESSURE: 2761200 -286.413 -16.3037 33.5405 35.3347 -99.0368 217.459 1.03492 140.088 -45.1734 PRESSAVG: 2761200 -60.7109 85.7736 18.401 85.7737 69.5622 16.2541 18.401 16.2539 -17.4862 GPRESSAVG: 2761200 -60.35 84.1708 19.1184 85.4955 68.6652 15.7596 16.4357 17.9752 -17.5345 TIMING: 2761200 CPU: 8318.64, 0.002988/step Wall: 8318.64, 0.002988/step, 1.8582 hours remaining, 209.199219 MB of memory in use. ENERGY: 2761200 774.8903 2178.2954 1928.7110 101.6427 -205705.1184 17247.4321 0.0000 0.0000 34209.3094 -149264.8375 298.7584 -183474.1469 -149165.0418 298.9606 -173.1528 -143.5412 557191.0245 -2.8783 -3.0731 PRESSURE: 2761400 -10.0028 -103.993 63.9421 -103.994 -18.2996 9.2973 63.9427 9.29691 -365.628 GPRESSURE: 2761400 -27.194 -55.0329 18.3805 -83.4004 43.838 31.7907 92.7814 17.7232 -321.736 PRESSAVG: 2761400 -0.190248 -11.9712 40.9715 -11.9713 55.4862 -19.967 40.9714 -19.9669 -32.6696 GPRESSAVG: 2761400 0.148027 -12.5976 42.9709 -11.7468 54.5406 -18.2359 40.9734 -23.6036 -32.3872 TIMING: 2761400 CPU: 8319.24, 0.00300523/step Wall: 8319.24, 0.00300523/step, 1.86875 hours remaining, 209.199219 MB of memory in use. ENERGY: 2761400 771.6776 2130.5458 1933.5436 114.3280 -206530.1427 17778.8867 0.0000 0.0000 34309.4391 -149491.7219 299.6329 -183801.1610 -149399.4189 298.7384 -131.3101 -101.6975 557638.7477 7.5421 7.4338 PRESSURE: 2761600 -272.363 67.6979 -31.2105 67.6997 -33.3805 138.12 -31.21 138.121 153.25 GPRESSURE: 2761600 -240.072 46.3025 -18.5454 -10.5002 -0.673347 157.16 -46.1819 108.915 184.818 PRESSAVG: 2761600 -3.11409 -29.7119 24.9665 -29.712 37.6648 59.3821 24.9665 59.3821 -2.81939 GPRESSAVG: 2761600 -3.57786 -29.1539 22.553 -30.1424 38.6992 56.6346 24.5307 63.4994 -3.40961 TIMING: 2761600 CPU: 8319.85, 0.00303839/step Wall: 8319.85, 0.00303839/step, 1.88921 hours remaining, 209.199219 MB of memory in use. ENERGY: 2761600 761.0703 2073.6688 1919.4158 113.1402 -206454.5289 17866.1291 0.0000 0.0000 34214.3584 -149506.7463 298.8025 -183721.1047 -149409.9396 298.5696 -50.8311 -18.6423 557866.1127 10.5771 10.5706 PRESSURE: 2761800 -167.454 27.4224 108.73 27.4224 -36.391 47.0847 108.729 47.0831 -254.651 GPRESSURE: 2761800 -152.192 97.5283 59.7125 57.5382 -9.80235 77.2041 146.83 80.1194 -202.672 PRESSAVG: 2761800 -28.6351 11.411 -48.2288 11.411 -17.22 57.9152 -48.2288 57.9152 82.1999 GPRESSAVG: 2761800 -28.4215 11.7682 -47.1567 13.8771 -18.1697 59.732 -48.4619 56.7141 82.3191 TIMING: 2761800 CPU: 8320.45, 0.00301276/step Wall: 8320.45, 0.00301276/step, 1.8731 hours remaining, 209.199219 MB of memory in use. ENERGY: 2761800 773.6578 2068.5935 1962.5920 108.6150 -206198.8320 17555.2302 0.0000 0.0000 34313.7996 -149416.3439 299.6709 -183730.1434 -149318.5581 298.4141 -152.8318 -121.5554 558046.3550 12.1149 11.9093 PRESSURE: 2762000 63.4573 -139.74 190.212 -139.74 -61.8098 133.103 190.21 133.102 43.8712 GPRESSURE: 2762000 107.591 -190.118 115.442 -97.0134 -14.0708 199.563 147.217 38.5134 56.6389 PRESSAVG: 2762000 59.4514 32.0538 19.2264 32.0538 8.34979 13.0187 19.2263 13.0187 -50.1472 GPRESSAVG: 2762000 59.5541 30.2296 19.0627 31.0794 8.9908 14.194 18.3973 14.0743 -50.5364 TIMING: 2762000 CPU: 8321.05, 0.00299828/step Wall: 8321.05, 0.00299828/step, 1.86393 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: 2762000 748.2637 2107.2283 1928.7096 111.5407 -206422.5248 17889.0515 0.0000 0.0000 34204.4501 -149433.2810 298.7160 -183637.7310 -149333.6792 298.1781 15.1729 50.0530 557057.9466 5.8847 6.0028 PRESSURE: 2762200 -120.222 -126.533 47.6114 -126.533 -8.7388 12.0524 47.6118 12.0536 24.8773 GPRESSURE: 2762200 -122.582 -157.209 44.4274 -150.382 41.6533 67.5714 -28.7549 26.0674 59.6245 PRESSAVG: 2762200 -30.2006 -48.7967 41.7776 -48.7966 60.0392 52.3105 41.7777 52.3105 -13.4473 GPRESSAVG: 2762200 -30.7485 -47.4395 41.4786 -47.0537 60.225 51.2171 44.6376 49.9337 -13.5319 TIMING: 2762200 CPU: 8321.66, 0.00302646/step Wall: 8321.66, 0.00302646/step, 1.88128 hours remaining, 209.199219 MB of memory in use. ENERGY: 2762200 713.3246 2074.3907 1953.9425 120.7014 -206290.6713 17799.2093 0.0000 0.0000 34257.2617 -149371.8412 299.1772 -183629.1029 -149275.2352 299.7650 -34.6943 -7.1013 556483.7808 5.4638 5.3149 PRESSURE: 2762400 -236.77 -27.6751 3.12438 -27.6741 -120.483 90.3112 3.12456 90.3106 -45.0249 GPRESSURE: 2762400 -163.318 32.3225 64.7007 -15.4487 -144.984 102.733 -5.72757 64.0517 13.2866 PRESSAVG: 2762400 64.3713 -4.54219 1.69844 -4.54225 -31.2414 9.25602 1.69848 9.25611 -39.0683 GPRESSAVG: 2762400 65.1842 -3.68466 -0.229213 -6.31261 -32.7292 8.75408 2.10905 10.7071 -38.2213 TIMING: 2762400 CPU: 8322.26, 0.00301691/step Wall: 8322.26, 0.00301691/step, 1.87518 hours remaining, 209.199219 MB of memory in use. ENERGY: 2762400 745.8739 2038.4106 1941.2240 121.1619 -206125.2220 17708.6195 0.0000 0.0000 34242.3589 -149327.5733 299.0470 -183569.9321 -149231.1150 299.2996 -134.0926 -98.3386 557692.5837 -1.9795 -1.9221 PRESSURE: 2762600 120.554 -41.6739 -70.543 -41.674 52.2535 -33.267 -70.5435 -33.2678 -42.8812 GPRESSURE: 2762600 182.313 -16.9423 -92.181 -7.80697 63.4798 -105.86 -4.28886 49.931 -19.0798 PRESSAVG: 2762600 46.4222 25.6295 7.42402 25.6294 -54.3178 -16.0432 7.42408 -16.0433 3.65178 GPRESSAVG: 2762600 47.0568 25.9041 8.14914 23.0876 -53.2992 -15.0977 7.77253 -17.0174 2.16342 TIMING: 2762600 CPU: 8322.86, 0.00296933/step Wall: 8322.86, 0.00296933/step, 1.84544 hours remaining, 209.199219 MB of memory in use. ENERGY: 2762600 737.4814 2058.4283 1924.3878 114.8431 -206325.8522 17978.2856 0.0000 0.0000 34271.9107 -149240.5152 299.3051 -183512.4259 -149146.3655 299.3741 43.3088 75.5711 557801.1263 -1.4146 -1.3597 PRESSURE: 2762800 163.205 87.7531 6.99887 87.7533 28.9804 -4.47995 6.99907 -4.48071 34.3953 GPRESSURE: 2762800 179.142 121.33 34.3297 46.2076 85.2576 68.7404 -76.8173 -32.0684 70.4252 PRESSAVG: 2762800 12.2582 48.6566 -19.632 48.6567 -29.6994 36.1307 -19.632 36.1307 -33.7632 GPRESSAVG: 2762800 12.2849 48.6063 -19.6634 49.9743 -28.9966 35.5516 -21.097 37.4411 -34.2893 TIMING: 2762800 CPU: 8323.45, 0.00295866/step Wall: 8323.45, 0.00295866/step, 1.83865 hours remaining, 209.199219 MB of memory in use. ENERGY: 2762800 737.4189 2029.6431 1940.8435 109.5434 -205962.2372 17668.6259 0.0000 0.0000 34303.2572 -149172.9052 299.5789 -183476.1624 -149085.3572 299.7490 75.5269 111.6081 556488.6105 -17.0681 -17.0003 PRESSURE: 2763000 -44.619 -163.116 -89.8957 -163.115 185.41 129.666 -89.8945 129.666 -123.557 GPRESSURE: 2763000 13.6862 -162.203 -67.8395 -106.585 193.502 92.506 -74.2575 77.4405 -86.2632 PRESSAVG: 2763000 32.4286 84.0081 -57.8218 84.0081 -30.7732 47.4932 -57.8218 47.4933 -14.766 GPRESSAVG: 2763000 31.1529 83.8962 -55.9291 84.1019 -31.3158 49.0704 -57.6187 45.1378 -12.8508 TIMING: 2763000 CPU: 8324.05, 0.00300131/step Wall: 8324.05, 0.00300131/step, 1.86498 hours remaining, 209.199219 MB of memory in use. ENERGY: 2763000 768.9404 2080.4925 1921.6471 109.5747 -206015.3025 17666.2465 0.0000 0.0000 34244.3952 -149224.0060 299.0648 -183468.4012 -149130.5231 299.1760 5.7447 40.3082 556248.1421 -4.3702 -4.3379 PRESSURE: 2763200 -183.854 32.396 -38.9429 32.396 203.479 1.86622 -38.9438 1.86558 252.859 GPRESSURE: 2763200 -77.6237 79.5053 -114.748 102.805 173.739 -37.269 24.7862 35.4817 279.916 PRESSAVG: 2763200 -51.0483 -30.3825 -11.2769 -30.3824 21.8056 24.5191 -11.277 24.5191 14.0623 GPRESSAVG: 2763200 -50.2525 -30.5767 -11.4605 -29.7838 21.1937 25.3713 -12.0416 24.7718 14.497 TIMING: 2763200 CPU: 8324.64, 0.00296961/step Wall: 8324.64, 0.00296961/step, 1.84512 hours remaining, 209.199219 MB of memory in use. ENERGY: 2763200 729.3903 2069.9010 1959.4423 110.6186 -206392.7823 17930.8331 0.0000 0.0000 34161.9938 -149430.6031 298.3452 -183592.5969 -149336.0270 299.0560 90.8280 125.3438 556531.6367 -5.0601 -4.8539 PRESSURE: 2763400 -202.559 -22.9487 69.916 -22.9489 -264.933 -209.984 69.9155 -209.985 -346.291 GPRESSURE: 2763400 -125.466 -36.7782 163.762 -13.0455 -216.012 -165.322 -33.4205 -314.458 -383.209 PRESSAVG: 2763400 3.66357 20.8296 -43.6248 20.8296 -54.4401 7.51198 -43.6248 7.51204 12.5981 GPRESSAVG: 2763400 4.72576 23.2013 -43.9207 19.5752 -54.3879 3.8156 -42.454 8.4117 11.2041 TIMING: 2763400 CPU: 8325.24, 0.00301248/step Wall: 8325.24, 0.00301248/step, 1.87159 hours remaining, 209.199219 MB of memory in use. ENERGY: 2763400 777.9573 2101.9044 1941.1368 112.1411 -206042.6376 17466.7982 0.0000 0.0000 34169.1654 -149473.5345 298.4078 -183642.6999 -149383.6041 299.4503 -271.2611 -241.5623 556999.2397 -12.7261 -12.8193 PRESSURE: 2763600 177.897 146.605 34.0361 146.606 -281.77 64.5236 34.0371 64.523 114.762 GPRESSURE: 2763600 192.674 83.3662 4.80623 173.185 -174.185 89.8944 22.8342 40.1347 109.978 PRESSAVG: 2763600 -4.11974 26.8577 37.7837 26.8577 32.0036 -3.21851 37.7836 -3.2184 -12.3974 GPRESSAVG: 2763600 -5.31729 25.2168 35.6608 28.47 32.6202 -2.78419 38.3988 -3.4162 -12.0413 TIMING: 2763600 CPU: 8325.85, 0.00301826/step Wall: 8325.85, 0.00301826/step, 1.87501 hours remaining, 209.199219 MB of memory in use. ENERGY: 2763600 756.0091 2034.2096 1949.5272 107.6753 -206359.4956 17937.4655 0.0000 0.0000 34108.7816 -149465.8273 297.8805 -183574.6089 -149365.0957 298.3591 3.6296 42.8222 556555.2113 5.1622 5.0872 PRESSURE: 2763800 -231.345 68.2648 -21.0718 68.265 184.52 34.2305 -21.071 34.2294 82.0566 GPRESSURE: 2763800 -191.763 60.863 0.337639 89.0339 211.033 -3.62204 11.2467 67.2979 102.8 PRESSAVG: 2763800 6.65323 13.6005 29.2985 13.6005 24.3728 -4.49648 29.2985 -4.49653 -11.8369 GPRESSAVG: 2763800 7.1278 15.1657 32.3443 12.5458 23.9275 -3.30986 27.3173 -4.25807 -11.7058 TIMING: 2763800 CPU: 8326.46, 0.00305679/step Wall: 8326.46, 0.00305679/step, 1.89878 hours remaining, 209.199219 MB of memory in use. ENERGY: 2763800 772.3427 2107.1033 1911.1366 106.6472 -206203.4637 17716.1927 0.0000 0.0000 34008.4000 -149581.6412 297.0038 -183590.0412 -149477.9731 298.7925 11.7438 40.6901 557916.7543 6.3964 6.4498 PRESSURE: 2764000 38.6191 -141.811 -43.8397 -141.811 -53.9688 70.6167 -43.8402 70.6166 -258.596 GPRESSURE: 2764000 36.7169 -104.485 -27.6185 -162.051 1.16513 84.0732 -114.954 10.1245 -215.624 PRESSAVG: 2764000 -42.8119 -36.8397 4.9096 -36.8397 64.9359 15.4184 4.9095 15.4183 -32.5983 GPRESSAVG: 2764000 -43.192 -38.348 2.65763 -36.573 65.7629 14.4102 6.18174 16.882 -33.1249 TIMING: 2764000 CPU: 8327.07, 0.003043/step Wall: 8327.07, 0.003043/step, 1.89004 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: 2764000 705.1271 2081.4406 1921.6346 112.6813 -205945.3805 17640.0768 0.0000 0.0000 34107.0046 -149377.4156 297.8650 -183484.4202 -149279.0914 298.3592 -91.3153 -59.2473 557657.1262 -3.4914 -3.5180 PRESSURE: 2764200 -217.74 23.2469 -60.4507 23.2468 -273.825 -9.48065 -60.4505 -9.4799 165.249 GPRESSURE: 2764200 -122.262 96.4613 -42.3725 54.5316 -259.131 47.362 -80.0011 -4.28145 156.336 PRESSAVG: 2764200 -38.8058 3.00321 16.0512 3.00321 -9.95798 16.9587 16.0512 16.9587 28.7119 GPRESSAVG: 2764200 -39.3163 5.06676 16.3805 1.16737 -9.04666 16.9608 16.8498 16.3759 28.0316 TIMING: 2764200 CPU: 8327.68, 0.00304419/step Wall: 8327.68, 0.00304419/step, 1.89061 hours remaining, 209.199219 MB of memory in use. ENERGY: 2764200 775.3044 2077.4157 1927.9460 135.5680 -206351.8994 17702.0192 0.0000 0.0000 34221.7020 -149511.9441 298.8666 -183733.6461 -149422.2903 298.3129 -108.7723 -75.0192 556560.9158 -6.6840 -6.7771 LDB: ============= START OF LOAD BALANCING ============== 8331.2 LDB: ============== END OF LOAD BALANCING =============== 8331.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8331.2 LDB: ============= START OF LOAD BALANCING ============== 8331.5 LDB: Largest compute 4772 load 0.027134 is 23.0% of average load 0.118100 LDB: Average compute 0.001729 is 1.5% of average load 0.118100 LDB: TIME 8331.5 LOAD: AVG 0.1181 MAX 0.211482 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.801 MB LDB: TIME 8331.5 LOAD: AVG 0.1181 MAX 0.211482 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.871 MB LDB: TIME 8331.5 LOAD: AVG 0.1181 MAX 0.211482 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.871 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8331.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8331.51 PRESSURE: 2764400 -121.123 -85.4933 43.7696 -85.4919 -58.5344 73.2524 43.77 73.253 -270.102 GPRESSURE: 2764400 -107.766 -141.158 43.4133 -10.9073 2.14957 57.2937 -126.105 100.18 -256.713 PRESSAVG: 2764400 11.9435 -36.4945 18.5682 -36.4945 16.3611 27.839 18.5683 27.839 -7.37176 GPRESSAVG: 2764400 12.9562 -36.2475 19.9779 -37.3502 14.8801 26.1443 18.0404 26.3371 -6.80024 TIMING: 2764400 CPU: 8328.29, 0.00308993/step Wall: 8328.29, 0.00308993/step, 1.91884 hours remaining, 208.941406 MB of memory in use. ENERGY: 2764400 719.3627 2071.9101 1942.4356 113.7310 -205944.2395 17603.5282 0.0000 0.0000 34029.6919 -149463.5800 297.1898 -183493.2718 -149364.7912 298.8786 -149.9199 -120.7767 557830.4582 6.9776 7.0120 PRESSURE: 2764600 -122.98 116.905 -152.093 116.904 208.907 -35.0836 -152.092 -35.0833 70.3201 GPRESSURE: 2764600 -73.97 158.871 -130.757 88.8578 249.386 -35.2063 -215.818 -31.9195 85.4439 PRESSAVG: 2764600 -50.0321 -49.0072 31.361 -49.0073 101.569 65.8906 31.361 65.8906 -22.7598 GPRESSAVG: 2764600 -50.3404 -48.3605 29.1387 -47.9059 101.221 68.004 30.2286 66.2831 -22.3528 TIMING: 2764600 CPU: 8328.9, 0.00304608/step Wall: 8328.9, 0.00304608/step, 1.89145 hours remaining, 208.941406 MB of memory in use. ENERGY: 2764600 740.6189 2038.7511 1924.2474 101.7188 -206572.9135 17976.1853 0.0000 0.0000 34275.8065 -149515.5854 299.3391 -183791.3919 -149419.0274 298.6335 52.0822 86.9533 557501.3808 9.5925 9.5092 PRESSURE: 2764800 95.4389 108.585 -184.251 108.586 70.3135 -39.2712 -184.25 -39.2708 -97.5746 GPRESSURE: 2764800 115.125 25.8319 -141.517 150.532 115.402 33.3583 -188.294 -58.1183 -56.4096 PRESSAVG: 2764800 -50.0635 51.6982 -52.5335 51.6983 101.255 10.1774 -52.5336 10.1773 -12.7554 GPRESSAVG: 2764800 -50.2532 50.531 -49.7363 50.8695 101.66 13.0003 -52.5374 9.44715 -12.8838 TIMING: 2764800 CPU: 8329.52, 0.00306277/step Wall: 8329.52, 0.00306277/step, 1.90164 hours remaining, 208.941406 MB of memory in use. ENERGY: 2764800 706.6504 2063.8788 1918.6315 114.3637 -206098.8961 17797.4941 0.0000 0.0000 34136.6338 -149361.2438 298.1237 -183497.8777 -149263.4433 298.5669 22.7259 58.0390 558167.1069 12.8122 12.8411 PRESSURE: 2765000 27.656 60.3067 -189.248 60.3071 199.021 61.7641 -189.249 61.7639 157.647 GPRESSURE: 2765000 139.825 79.5367 -155.193 70.3142 170.896 -38.9812 -204.106 61.4481 178.661 PRESSAVG: 2765000 -42.9521 7.36452 32.9319 7.36452 53.4975 8.51979 32.9321 8.51972 -36.886 GPRESSAVG: 2765000 -42.3762 6.59314 31.1657 8.49223 53.266 4.94541 33.1278 10.4138 -36.5549 TIMING: 2765000 CPU: 8330.13, 0.00305882/step Wall: 8330.13, 0.00305882/step, 1.89901 hours remaining, 208.941406 MB of memory in use. ENERGY: 2765000 715.5089 2063.5575 1919.8169 118.6240 -206163.3240 17971.0049 0.0000 0.0000 34248.1662 -149126.6457 299.0978 -183374.8119 -149028.3399 299.2204 128.1080 163.1271 557256.4214 -8.7802 -8.5550 PRESSURE: 2765200 -186.978 -23.5689 -170.158 -23.5698 -79.2267 -102.706 -170.158 -102.706 215.394 GPRESSURE: 2765200 -100.059 32.5765 -256.697 -62.712 -68.1727 -179.802 -109.296 -97.1673 207.577 PRESSAVG: 2765200 -13.7525 -4.94445 -1.75252 -4.94434 -8.44474 3.36893 -1.75259 3.36893 18.0386 GPRESSAVG: 2765200 -13.8729 -5.41729 -1.66428 -4.86561 -8.74222 5.26625 0.783733 1.93388 18.5975 TIMING: 2765200 CPU: 8330.74, 0.00307678/step Wall: 8330.74, 0.00307678/step, 1.91 hours remaining, 208.941406 MB of memory in use. ENERGY: 2765200 780.9361 2047.4112 1906.2305 113.6541 -206389.2437 17898.6609 0.0000 0.0000 34397.5702 -149244.7808 300.4025 -183642.3509 -149155.1949 299.5383 -16.9371 13.1149 556114.0586 -1.3862 -1.3392 PRESSURE: 2765400 -192.718 39.975 78.3947 39.9738 -220.863 100.425 78.396 100.425 21.1362 GPRESSURE: 2765400 -173.656 74.9119 156.506 47.5142 -168.267 103.944 128.697 166.13 45.2197 PRESSAVG: 2765400 -37.0118 0.910949 3.61196 0.910894 63.7878 43.9179 3.61188 43.9179 35.5062 GPRESSAVG: 2765400 -38.0741 0.793964 5.03351 1.20974 64.6207 41.6779 1.33061 45.3529 36.3213 TIMING: 2765400 CPU: 8331.35, 0.00303498/step Wall: 8331.35, 0.00303498/step, 1.88388 hours remaining, 208.941406 MB of memory in use. ENERGY: 2765400 764.8527 2043.6316 1921.8363 95.6641 -205773.2538 17663.9680 0.0000 0.0000 34078.9017 -149204.3994 297.6195 -183283.3011 -149106.2126 299.7126 -130.8149 -98.9010 558419.4240 20.7607 20.9560 PRESSURE: 2765600 121.559 -63.4363 66.254 -63.4355 -83.637 -48.5384 66.254 -48.54 -83.5831 GPRESSURE: 2765600 103.147 15.9801 -17.6345 -143.966 -24.0547 -107.99 141.576 -26.9697 -21.8888 PRESSAVG: 2765600 28.8854 3.70398 45.5992 3.70405 -40.872 -42.933 45.5992 -42.9332 1.90121 GPRESSAVG: 2765600 29.7027 3.59311 42.0839 3.96661 -39.8594 -42.617 46.0109 -42.905 0.167741 TIMING: 2765600 CPU: 8331.95, 0.00302096/step Wall: 8331.95, 0.00302096/step, 1.87501 hours remaining, 208.941406 MB of memory in use. ENERGY: 2765600 742.9480 2062.3550 1942.3348 116.2558 -206484.7766 17960.1097 0.0000 0.0000 34418.4692 -149242.3040 300.5851 -183660.7732 -149144.8578 299.1365 -15.2204 19.0678 559189.3445 -3.3618 -3.3297 PRESSURE: 2765800 -186.082 23.1878 -131.533 23.1883 -9.70803 121.355 -131.535 121.355 -156.153 GPRESSURE: 2765800 -148.365 6.47685 -102.37 19.2319 54.6534 170.753 -163.697 54.3697 -152.297 PRESSAVG: 2765800 -61.9583 -40.8696 -43.8071 -40.8696 -18.0653 -24.1816 -43.8071 -24.1816 53.7376 GPRESSAVG: 2765800 -61.9736 -41.1855 -40.9778 -41.8565 -17.8373 -23.7723 -45.3007 -24.5865 53.3664 TIMING: 2765800 CPU: 8332.56, 0.00301844/step Wall: 8332.56, 0.00301844/step, 1.87328 hours remaining, 208.941406 MB of memory in use. ENERGY: 2765800 733.2269 2057.0053 1952.2116 111.0845 -206173.9034 17778.0415 0.0000 0.0000 34369.7527 -149172.5810 300.1596 -183542.3337 -149079.5060 299.6335 -117.3145 -82.0029 559241.1140 -8.7620 -8.8148 PRESSURE: 2766000 15.3657 98.5727 30.9426 98.574 -236.429 149.22 30.9438 149.218 -308.282 GPRESSURE: 2766000 33.3577 186.681 37.1712 65.97 -207.823 143.539 -31.1958 108.878 -259.665 PRESSAVG: 2766000 -9.20816 -37.801 15.424 -37.801 -1.41482 2.1846 15.424 2.18454 11.733 GPRESSAVG: 2766000 -9.04139 -37.2833 16.1777 -36.1005 -3.49683 1.8014 17.4947 3.84116 14.4968 TIMING: 2766000 CPU: 8333.17, 0.00304308/step Wall: 8333.17, 0.00304308/step, 1.8884 hours remaining, 208.941406 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: 2766000 730.1145 2114.6727 1928.7168 116.0857 -205916.0415 17581.8454 0.0000 0.0000 34466.6916 -148977.9147 301.0062 -183444.6063 -148874.8876 299.9666 -176.4483 -144.7102 558586.9362 0.3700 0.6529 PRESSURE: 2766200 14.3233 -73.463 84.6633 -73.4615 22.7413 -15.0885 84.663 -15.0893 163.268 GPRESSURE: 2766200 66.1711 -89.1704 73.0109 -122.217 38.1997 100.969 137.349 3.03628 187.267 PRESSAVG: 2766200 -24.1824 -19.9076 -42.8758 -19.9076 -37.0909 -5.35235 -42.8759 -5.35233 57.9416 GPRESSAVG: 2766200 -23.6826 -18.9495 -42.865 -23.9382 -35.0739 -5.93597 -42.6848 -4.71462 55.0877 TIMING: 2766200 CPU: 8333.77, 0.00301144/step Wall: 8333.77, 0.00301144/step, 1.8686 hours remaining, 208.941406 MB of memory in use. ENERGY: 2766200 749.4610 2060.9615 1928.9767 107.1487 -205904.9559 17797.8182 0.0000 0.0000 34237.5688 -149023.0210 299.0052 -183260.5898 -148926.0857 300.0252 66.7774 97.2127 557045.9332 -1.1106 -1.2229 PRESSURE: 2766400 74.1337 -182.113 150.29 -182.112 68.6593 -53.4545 150.29 -53.4543 373.034 GPRESSURE: 2766400 162.415 -170.686 144.995 -133.564 152.597 -137.835 118.299 69.5243 305.448 PRESSAVG: 2766400 -10.6389 21.151 -40.4525 21.1509 13.5292 115.255 -40.4525 115.256 -36.8617 GPRESSAVG: 2766400 -10.9498 21.6501 -41.7333 22.1666 13.1989 116.672 -42.5631 112.895 -35.9648 TIMING: 2766400 CPU: 8334.37, 0.00300744/step Wall: 8334.37, 0.00300744/step, 1.86595 hours remaining, 208.941406 MB of memory in use. ENERGY: 2766400 697.3218 2121.3363 1955.1409 115.1304 -205979.0479 17877.1551 0.0000 0.0000 34458.1964 -148754.7669 300.9320 -183212.9633 -148663.7204 301.0511 171.9423 206.8198 557902.8609 -11.3238 -11.2386 PRESSURE: 2766600 121.216 146.077 160.979 146.076 -199.979 222.935 160.98 222.935 -345.494 GPRESSURE: 2766600 123.266 247.045 157.956 72.86 -108.649 174.058 180.796 165.74 -335.812 PRESSAVG: 2766600 -8.55356 -20.9117 48.7201 -20.9116 37.3247 15.8426 48.7201 15.8426 -43.0449 GPRESSAVG: 2766600 -8.13461 -20.4804 48.9786 -19.4173 37.1432 15.9989 51.0385 14.7144 -43.036 TIMING: 2766600 CPU: 8334.98, 0.00302128/step Wall: 8334.98, 0.00302128/step, 1.87437 hours remaining, 208.941406 MB of memory in use. ENERGY: 2766600 775.9385 2083.6585 1949.7054 110.5797 -205772.2766 17513.4556 0.0000 0.0000 34604.7320 -148734.2068 302.2117 -183338.9388 -148639.9583 301.2087 -141.4192 -107.0649 557112.7902 -4.7579 -4.6758 PRESSURE: 2766800 -175.964 6.03096 31.9972 6.0323 101.241 -68.5942 31.9957 -68.5964 -367.414 GPRESSURE: 2766800 -190.529 -15.5985 49.3395 -9.26297 104.81 -23.1458 75.5254 -88.5576 -245.879 PRESSAVG: 2766800 -14.6938 -16.8566 -19.9392 -16.8566 29.3071 22.3979 -19.9392 22.3979 -2.02082 GPRESSAVG: 2766800 -14.6159 -19.4517 -20.4283 -14.1312 28.7218 21.5016 -19.9991 24.569 -1.74869 TIMING: 2766800 CPU: 8335.58, 0.00302835/step Wall: 8335.58, 0.00302835/step, 1.87859 hours remaining, 208.941406 MB of memory in use. ENERGY: 2766800 760.4283 2069.2727 1921.1352 124.7085 -205864.2171 17516.5018 0.0000 0.0000 34737.8025 -148734.3681 303.3739 -183472.1706 -148638.4852 301.3519 -147.3792 -110.5325 557557.9987 4.1975 4.1190 PRESSURE: 2767000 144.668 -143.533 -18.5587 -143.534 -57.6438 -67.2049 -18.5593 -67.2044 184.249 GPRESSURE: 2767000 126.247 -153.097 51.9179 -112.278 -1.01347 -145.604 -85.9767 -68.1719 241.571 PRESSAVG: 2767000 3.11674 -22.7574 -44.1178 -22.7574 12.6895 11.7209 -44.1178 11.721 22.9333 GPRESSAVG: 2767000 2.18913 -21.0139 -42.6516 -24.9972 12.2958 11.5875 -43.9847 13.3179 24.2031 TIMING: 2767000 CPU: 8336.18, 0.00301427/step Wall: 8336.18, 0.00301427/step, 1.86968 hours remaining, 208.941406 MB of memory in use. ENERGY: 2767000 730.1694 2128.4428 1935.0071 120.8800 -206061.0213 17867.6320 0.0000 0.0000 34442.1027 -148836.7873 300.7914 -183278.8900 -148743.0111 301.1241 90.4246 122.2680 558166.9909 12.9132 12.8960 PRESSURE: 2767200 180.786 -79.3509 37.5013 -79.3502 170.039 -9.25893 37.5017 -9.25861 46.8974 GPRESSURE: 2767200 236.328 -106.176 -22.1564 -120.379 141.778 -75.1097 53.4823 -2.25626 115.14 PRESSAVG: 2767200 -51.6225 -33.9863 -55.7886 -33.9863 -30.4778 12.3695 -55.7886 12.3693 59.5779 GPRESSAVG: 2767200 -52.2531 -35.0466 -56.7502 -32.7838 -29.0052 12.55 -57.3646 11.7191 59.0154 TIMING: 2767200 CPU: 8336.78, 0.00297998/step Wall: 8336.78, 0.00297998/step, 1.84825 hours remaining, 208.941406 MB of memory in use. ENERGY: 2767200 714.9926 2114.1809 1948.2474 112.9254 -205853.7374 17795.5772 0.0000 0.0000 34365.1180 -148802.6960 300.1191 -183167.8140 -148709.8559 300.2539 132.5739 164.4152 558501.5937 -7.5074 -7.4143 PRESSURE: 2767400 49.0402 -43.4933 27.2841 -43.4931 412.533 41.9683 27.2834 41.9676 41.0125 GPRESSURE: 2767400 134.096 -65.7297 -67.378 0.0992038 455.6 111.091 110.866 31.7679 -1.02351 PRESSAVG: 2767400 -16.6819 -27.8501 -30.969 -27.8501 12.3773 21.9407 -30.969 21.9408 -16.3306 GPRESSAVG: 2767400 -16.2175 -29.1778 -31.3944 -28.3907 12.0873 22.9786 -29.7949 20.055 -16.3334 TIMING: 2767400 CPU: 8337.37, 0.00297263/step Wall: 8337.37, 0.00297263/step, 1.84352 hours remaining, 208.941406 MB of memory in use. ENERGY: 2767400 715.2396 2090.7367 1936.0365 118.7228 -206046.9727 17934.1250 0.0000 0.0000 34298.8390 -148953.2732 299.5403 -183252.1122 -148856.9293 300.0706 167.5285 196.2240 557733.1439 -6.8784 -6.8212 PRESSURE: 2767600 221.969 143.08 39.0206 143.079 155.679 84.3662 39.0206 84.3672 14.5109 GPRESSURE: 2767600 247.218 214.368 51.2742 139.62 235.329 103.363 22.0052 -14.5966 2.58492 PRESSAVG: 2767600 -15.0745 43.1045 -12.5065 43.1045 78.7473 -50.5439 -12.5064 -50.5439 -15.5048 GPRESSAVG: 2767600 -15.4961 45.0478 -13.5279 42.8061 78.4071 -51.0938 -12.1259 -49.3941 -15.0672 TIMING: 2767600 CPU: 8337.97, 0.00296123/step Wall: 8337.97, 0.00296123/step, 1.83629 hours remaining, 208.941406 MB of memory in use. ENERGY: 2767600 728.8350 2100.0940 1936.6460 111.4526 -206421.3562 17933.2189 0.0000 0.0000 34401.6014 -149209.5083 300.4377 -183611.1097 -149121.6458 300.0515 130.7196 161.7105 555421.0601 16.0560 15.9479 PRESSURE: 2767800 301.199 21.6305 -24.7603 21.6311 118.338 96.3161 -24.7601 96.3172 278.314 GPRESSURE: 2767800 295.922 84.0285 -32.8273 -7.3949 191.263 58.0056 -31.9679 164.996 303.814 PRESSAVG: 2767800 8.27669 65.3714 -50.1058 65.3714 39.3246 23.5361 -50.1058 23.536 -39.0181 GPRESSAVG: 2767800 8.40756 66.4975 -49.9821 63.7191 38.6061 23.4513 -48.0932 22.4133 -38.8251 TIMING: 2767800 CPU: 8338.56, 0.00298876/step Wall: 8338.56, 0.00298876/step, 1.8532 hours remaining, 208.941406 MB of memory in use. ENERGY: 2767800 740.5882 2069.1893 1922.3758 114.5997 -206123.9644 17847.9128 0.0000 0.0000 34260.0130 -149169.2856 299.2012 -183429.2986 -149072.5028 299.7006 232.6167 263.6664 555205.8575 2.8610 2.7295 PRESSURE: 2768000 -137.005 45.3876 82.6752 45.3875 -85.0718 2.86346 82.6744 2.86509 -135.867 GPRESSURE: 2768000 -92.1618 101.315 116.956 -49.3096 -73.0916 66.3274 65.0431 -70.8812 -97.9978 PRESSAVG: 2768000 -10.3407 19.427 9.41949 19.4269 66.2929 -4.2671 9.41951 -4.26707 -62.678 GPRESSAVG: 2768000 -10.1825 18.9306 12.1834 20.5931 66.2544 -5.91082 4.67379 -2.27037 -62.9306 TIMING: 2768000 CPU: 8339.17, 0.00300595/step Wall: 8339.17, 0.00300595/step, 1.86369 hours remaining, 208.941406 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: 2768000 739.4610 2071.6510 1933.6158 110.3891 -205401.9225 17264.5202 0.0000 0.0000 34285.4968 -148996.7886 299.4238 -183282.2854 -148888.6963 299.7226 -119.3144 -87.7504 557322.0262 -2.2420 -2.2863 PRESSURE: 2768200 -179.458 -120.109 -69.5282 -120.11 -174.913 -14.9239 -69.5276 -14.9233 109.506 GPRESSURE: 2768200 -152.902 -99.1675 -82.6561 -133.215 -138.867 -6.02403 -10.6969 34.7034 143.967 PRESSAVG: 2768200 -17.7921 -21.2866 24.7952 -21.2866 12.9265 -10.1381 24.7952 -10.1381 24.9318 GPRESSAVG: 2768200 -17.0496 -22.5446 22.9258 -22.5664 12.4003 -10.0689 26.1111 -9.00071 24.5121 TIMING: 2768200 CPU: 8339.76, 0.00298856/step Wall: 8339.76, 0.00298856/step, 1.85274 hours remaining, 208.941406 MB of memory in use. ENERGY: 2768200 774.0367 2089.2613 1920.9022 116.7002 -205976.5430 17752.8911 0.0000 0.0000 34411.1367 -148911.6147 300.5210 -183322.7514 -148810.0627 300.0541 -81.6217 -49.2672 558351.2597 6.6887 6.6209 LDB: ============= START OF LOAD BALANCING ============== 8343.28 LDB: ============== END OF LOAD BALANCING =============== 8343.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8343.28 LDB: ============= START OF LOAD BALANCING ============== 8343.58 LDB: Largest compute 4772 load 0.028984 is 24.5% of average load 0.118139 LDB: Average compute 0.001731 is 1.5% of average load 0.118139 LDB: TIME 8343.58 LOAD: AVG 0.118139 MAX 0.207172 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.918 MB LDB: TIME 8343.58 LOAD: AVG 0.118139 MAX 0.207172 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.918 MB LDB: TIME 8343.58 LOAD: AVG 0.118139 MAX 0.207172 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.918 MB LDB: ============== END OF LOAD BALANCING =============== 8343.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8343.59 PRESSURE: 2768400 161.929 184.084 -249.834 184.084 -46.9595 -168.887 -249.835 -168.887 -60.3628 GPRESSURE: 2768400 200.217 160.6 -236.649 204.332 -20.7774 -204.915 -254.697 -138.919 -33.887 PRESSAVG: 2768400 -12.6213 -74.4633 4.04797 -74.4632 19.0944 -47.0334 4.04794 -47.0335 -20.8753 GPRESSAVG: 2768400 -13.6857 -76.5129 3.54143 -72.8469 19.1212 -46.2812 5.30245 -48.5964 -20.1342 TIMING: 2768400 CPU: 8340.37, 0.00304206/step Wall: 8340.37, 0.00304206/step, 1.88574 hours remaining, 209.066406 MB of memory in use. ENERGY: 2768400 789.9231 2098.7881 1925.9741 114.3758 -206180.8662 17853.3416 0.0000 0.0000 34389.8108 -149008.6528 300.3348 -183398.4636 -148909.2879 300.1811 18.2021 48.5174 559015.1863 -4.8007 -4.8996 PRESSURE: 2768600 260.084 64.113 -232.647 64.114 -291.372 -136.62 -232.648 -136.62 35.4683 GPRESSURE: 2768600 289.239 18.4905 -212.947 24.9505 -218.325 -135.815 -224.168 -107.167 27.9663 PRESSAVG: 2768600 60.8526 25.2673 -62.705 25.2672 4.39097 -78.7285 -62.7049 -78.7284 -59.6821 GPRESSAVG: 2768600 60.969 28.2084 -62.0457 22.4641 4.67133 -77.9887 -64.9518 -78.3847 -60.0518 TIMING: 2768600 CPU: 8340.98, 0.00302312/step Wall: 8340.98, 0.00302312/step, 1.87383 hours remaining, 209.066406 MB of memory in use. ENERGY: 2768600 772.9440 2108.6227 1920.5046 106.3154 -206203.9421 17825.7533 0.0000 0.0000 34189.0146 -149280.7874 298.5812 -183469.8021 -149185.3111 300.2076 1.3935 32.9601 556544.8251 1.8538 1.8628 PRESSURE: 2768800 -440.327 16.252 -5.33707 16.2523 -20.3903 -139.009 -5.33533 -139.01 177.131 GPRESSURE: 2768800 -421.49 63.6173 -74.4824 45.1071 34.242 -70.4021 18.1651 -100.513 220.197 PRESSAVG: 2768800 50.6784 -26.7933 -0.775865 -26.7933 17.5723 -63.5403 -0.775807 -63.5402 -75.125 GPRESSAVG: 2768800 51.0321 -27.4529 1.78194 -24.4443 17.5024 -63.3561 -1.64093 -63.8992 -75.2846 TIMING: 2768800 CPU: 8341.58, 0.00301202/step Wall: 8341.58, 0.00301202/step, 1.86678 hours remaining, 209.066406 MB of memory in use. ENERGY: 2768800 740.3316 2076.1933 1943.9956 112.3003 -205944.0938 17550.4697 0.0000 0.0000 34183.7065 -149337.0969 298.5348 -183520.8034 -149246.9607 299.1703 -94.5288 -55.6836 557584.3270 -2.2914 -2.2500 PRESSURE: 2769000 344.31 72.1453 -1.6648 72.144 172.586 116.527 -1.66443 116.527 63.2032 GPRESSURE: 2769000 326.718 -53.3933 -64.2281 68.9632 207.94 -25.5423 -5.84091 131.422 146.989 PRESSAVG: 2769000 -0.339784 -26.5078 -34.9005 -26.5079 13.7663 39.7123 -34.9004 39.7123 -19.5905 GPRESSAVG: 2769000 0.19544 -27.5669 -36.6917 -26.5477 12.9699 39.3641 -32.0577 40.4908 -19.0448 TIMING: 2769000 CPU: 8342.18, 0.00299867/step Wall: 8342.18, 0.00299867/step, 1.85834 hours remaining, 209.066406 MB of memory in use. ENERGY: 2769000 692.1474 2019.7891 1953.3440 115.3429 -206433.5676 17910.1344 0.0000 0.0000 34282.6536 -149460.1563 299.3989 -183742.8099 -149363.7087 299.1746 193.3666 227.2158 555547.0078 -2.0546 -1.9598 PRESSURE: 2769200 149.572 -156.769 -93.241 -156.769 -108.899 -135.377 -93.2423 -135.376 84.7328 GPRESSURE: 2769200 235.444 -210.758 -171.48 -121.161 -130.679 -198.524 -97.8147 -166.064 106.292 PRESSAVG: 2769200 65.4969 17.2185 -56.3168 17.2186 -32.1901 25.2962 -56.3169 25.2961 -49.9572 GPRESSAVG: 2769200 65.3591 19.774 -56.7177 17.9552 -31.4262 24.294 -58.1101 25.3665 -50.6607 TIMING: 2769200 CPU: 8342.77, 0.00295561/step Wall: 8342.77, 0.00295561/step, 1.8315 hours remaining, 209.066406 MB of memory in use. ENERGY: 2769200 764.8445 2055.5255 1941.2884 110.8343 -206474.9667 17733.4897 0.0000 0.0000 34246.4858 -149622.4984 299.0831 -183868.9843 -149528.0418 297.9964 41.8019 70.3523 555309.6563 -5.5501 -5.5759 PRESSURE: 2769400 9.85078 104.884 -31.9661 104.883 -102.161 -23.7051 -31.965 -23.7046 -463.949 GPRESSURE: 2769400 38.4328 153.285 -90.8853 40.6684 -35.8594 -82.4051 1.02276 4.59861 -457.264 PRESSAVG: 2769400 36.0605 -41.2826 -64.8132 -41.2827 1.76749 -15.9978 -64.8132 -15.9978 -5.55834 GPRESSAVG: 2769400 35.8506 -43.152 -62.7475 -41.1971 1.57564 -15.0349 -64.1519 -16.2885 -5.70591 TIMING: 2769400 CPU: 8343.37, 0.0029912/step Wall: 8343.37, 0.0029912/step, 1.85338 hours remaining, 209.066406 MB of memory in use. ENERGY: 2769400 745.0142 2099.1103 1919.5945 105.8272 -206153.5058 17583.7942 0.0000 0.0000 34192.6811 -149507.4843 298.6132 -183700.1655 -149412.7515 298.6849 -185.4196 -151.5636 556682.6958 10.7566 10.5734 PRESSURE: 2769600 0.332587 35.7945 77.8673 35.7945 133.221 -112.61 77.8683 -112.61 23.1323 GPRESSURE: 2769600 22.935 60.6868 19.8246 -21.7039 87.1864 -162.78 118.691 -56.9686 132.622 PRESSAVG: 2769600 30.5042 5.99762 29.5604 5.99771 15.4667 -5.7145 29.5605 -5.71453 -57.6918 GPRESSAVG: 2769600 29.1423 6.45748 27.4295 3.79232 16.3636 -6.87949 29.361 -5.27265 -56.763 TIMING: 2769600 CPU: 8343.96, 0.00296383/step Wall: 8343.96, 0.00296383/step, 1.83626 hours remaining, 209.066406 MB of memory in use. ENERGY: 2769600 749.6450 2052.6737 1944.9724 125.7437 -206498.7792 17978.6953 0.0000 0.0000 34058.2938 -149588.7552 297.4396 -183647.0490 -149497.4990 298.9357 52.2287 80.9146 556137.7840 -3.9070 -3.7524 PRESSURE: 2769800 19.1943 -11.0996 -26.2729 -11.101 -97.4008 44.3586 -26.2729 44.3575 14.3994 GPRESSURE: 2769800 49.0231 -32.8051 61.1786 -26.0655 -88.2733 20.9585 -47.0479 110.378 67.731 PRESSAVG: 2769800 22.2341 -7.95859 38.6088 -7.9586 88.7234 -5.53121 38.6088 -5.53125 -91.1762 GPRESSAVG: 2769800 22.8334 -8.90454 39.6682 -6.44728 88.0101 -5.85293 38.8549 -4.01856 -91.0027 TIMING: 2769800 CPU: 8344.56, 0.00297667/step Wall: 8344.56, 0.00297667/step, 1.84405 hours remaining, 209.066406 MB of memory in use. ENERGY: 2769800 759.6279 2062.2111 1944.5350 101.9764 -206337.6798 17756.5101 0.0000 0.0000 34351.9181 -149360.9014 300.0038 -183712.8195 -149265.3544 298.6057 -21.2690 9.4936 557968.4435 6.5938 6.6136 PRESSURE: 2770000 170.764 50.5018 53.7758 50.5024 204.729 112.623 53.7753 112.623 174.435 GPRESSURE: 2770000 266.809 126.069 12.4475 19.7982 243.867 185.898 63.0634 95.8646 141.591 PRESSAVG: 2770000 34.2899 -13.5424 31.9839 -13.5424 -53.8907 38.7982 31.9838 38.7982 2.68163 GPRESSAVG: 2770000 34.4667 -13.4116 31.3963 -13.8293 -52.6785 37.6853 32.3698 39.6775 1.62004 TIMING: 2770000 CPU: 8345.15, 0.00299097/step Wall: 8345.15, 0.00299097/step, 1.85274 hours remaining, 209.066406 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: 2770000 686.7533 2097.8316 1923.1964 111.0137 -206392.2090 18001.3949 0.0000 0.0000 34395.8048 -149176.2144 300.3871 -183572.0192 -149072.3529 298.8730 183.3091 217.4223 558013.3710 -5.6397 -5.5306 PRESSURE: 2770200 64.7405 25.8713 220.427 25.87 -242.221 -31.7704 220.428 -31.7723 23.328 GPRESSURE: 2770200 97.2713 -17.8433 234.318 21.1689 -184.859 27.3798 223.286 -7.4656 38.5463 PRESSAVG: 2770200 83.1717 -4.73224 60.833 -4.73228 -20.111 -31.964 60.833 -31.9641 5.6038 GPRESSAVG: 2770200 83.4893 -4.36998 60.8469 -4.12219 -20.3959 -28.6106 58.2256 -35.224 5.59874 TIMING: 2770200 CPU: 8345.75, 0.00296625/step Wall: 8345.75, 0.00296625/step, 1.83726 hours remaining, 209.066406 MB of memory in use. ENERGY: 2770200 763.7912 2082.1666 1967.8825 125.7469 -205987.8607 17592.6773 0.0000 0.0000 34356.5049 -149099.0913 300.0439 -183455.5961 -149012.8424 300.2009 -51.3841 -16.3470 556418.7724 22.8882 22.8974 PRESSURE: 2770400 91.8016 -60.946 -142.973 -60.9451 -85.701 86.0132 -142.975 86.0148 -116.871 GPRESSURE: 2770400 174.377 -201.021 -175.597 -38.726 -129.887 56.4797 -64.6103 50.1385 -57.4009 PRESSAVG: 2770400 -30.5924 -13.7216 26.9278 -13.7216 -46.1808 -11.8069 26.9278 -11.8066 26.895 GPRESSAVG: 2770400 -30.7948 -14.7058 25.0993 -13.4305 -46.9665 -14.7245 30.5686 -11.3584 27.5395 TIMING: 2770400 CPU: 8346.35, 0.00300406/step Wall: 8346.35, 0.00300406/step, 1.86051 hours remaining, 209.066406 MB of memory in use. ENERGY: 2770400 720.9295 2140.2842 1944.2963 107.3246 -205866.3441 17546.1733 0.0000 0.0000 34205.4878 -149201.8483 298.7250 -183407.3362 -149113.0742 299.3508 -36.9235 -4.3038 557128.5187 -16.6261 -16.7406 PRESSURE: 2770600 -1.15933 -72.8483 100.392 -72.8473 -46.4618 -17.3565 100.391 -17.3544 -169.21 GPRESSURE: 2770600 4.43973 -99.0797 122.374 18.4427 22.4147 -24.1793 55.2309 -3.28577 -153.888 PRESSAVG: 2770600 0.400903 2.78688 15.2664 2.78685 2.41822 -24.219 15.2662 -24.219 -0.306805 GPRESSAVG: 2770600 1.49209 5.23516 18.0866 0.896645 3.02623 -23.7727 12.6013 -22.7101 -0.910708 TIMING: 2770600 CPU: 8346.94, 0.00297377/step Wall: 8346.94, 0.00297377/step, 1.84159 hours remaining, 209.066406 MB of memory in use. ENERGY: 2770600 756.2696 2118.7997 1930.7375 106.5603 -206274.0553 17703.6425 0.0000 0.0000 34258.5902 -149399.4554 299.1888 -183658.0457 -149298.2058 298.8677 -72.2769 -42.3445 557654.9668 0.8374 1.2025 PRESSURE: 2770800 -326.323 110.703 7.79419 110.703 -112.97 -111.229 7.79335 -111.228 -271.653 GPRESSURE: 2770800 -275.896 129.099 70.2474 154.015 -97.8879 -160.329 -25.4974 -64.3124 -220.186 PRESSAVG: 2770800 21.9198 -32.699 -50.1213 -32.6991 -13.2479 10.4068 -50.1215 10.4069 32.5408 GPRESSAVG: 2770800 21.3852 -34.0177 -51.6327 -31.8541 -12.8556 11.1357 -49.4954 9.27779 32.5539 TIMING: 2770800 CPU: 8347.54, 0.0029671/step Wall: 8347.54, 0.0029671/step, 1.83729 hours remaining, 209.066406 MB of memory in use. ENERGY: 2770800 772.7968 2055.2353 1956.4106 116.9799 -206027.8712 17563.1952 0.0000 0.0000 34160.4584 -149402.7949 298.3318 -183563.2533 -149300.4625 299.1662 -236.9818 -197.9901 557656.8755 13.7375 13.6945 PRESSURE: 2771000 126.204 -6.98078 -78.3954 -6.98101 99.0081 120.513 -78.3953 120.51 -63.2108 GPRESSURE: 2771000 135.419 13.0715 -139.538 -2.69044 79.4358 25.8403 -55.9271 115.405 50.1536 PRESSAVG: 2771000 43.0744 32.042 -18.7482 32.042 -31.5968 -34.457 -18.7482 -34.4571 -6.73105 GPRESSAVG: 2771000 43.443 30.8207 -17.5666 32.4752 -32.0957 -34.9063 -18.3253 -33.6531 -7.09145 TIMING: 2771000 CPU: 8348.13, 0.00297588/step Wall: 8348.13, 0.00297588/step, 1.84256 hours remaining, 209.066406 MB of memory in use. ENERGY: 2771000 713.0803 2088.7344 1897.2353 111.1733 -206660.7916 17975.7798 0.0000 0.0000 34249.9353 -149624.8531 299.1132 -183874.7884 -149525.3107 298.4192 54.0003 88.3360 556385.6371 1.5822 1.4186 PRESSURE: 2771200 2.72945 -76.7273 -77.0288 -76.7266 -112.198 -128.673 -77.0286 -128.675 138.943 GPRESSURE: 2771200 -2.00426 37.8987 -46.2295 -48.5644 15.9545 -91.1622 -159.319 -193.361 111.637 PRESSAVG: 2771200 -15.9461 15.8433 -59.2557 15.8432 3.35529 -5.23943 -59.2557 -5.2393 32.0657 GPRESSAVG: 2771200 -16.0325 16.8814 -60.3674 14.1776 2.88019 -2.64667 -57.9208 -5.45078 32.3053 TIMING: 2771200 CPU: 8348.72, 0.00296122/step Wall: 8348.72, 0.00296122/step, 1.83332 hours remaining, 209.066406 MB of memory in use. ENERGY: 2771200 714.7134 2147.5227 1936.1008 104.2860 -206368.8451 17738.1327 0.0000 0.0000 34036.8745 -149691.2151 297.2525 -183728.0896 -149595.0832 297.9308 9.8249 41.8624 556872.8725 6.4916 6.3843 PRESSURE: 2771400 43.9076 48.6158 -66.0806 48.6151 -58.2921 -90.4785 -66.0804 -90.4791 110.29 GPRESSURE: 2771400 95.5424 40.045 -91.7883 80.3169 -15.9502 -142.103 -134.368 -47.8694 117.441 PRESSAVG: 2771400 -7.6928 -0.578522 -24.0004 -0.578542 -33.9242 -71.6805 -24.0002 -71.6805 50.1625 GPRESSAVG: 2771400 -8.56818 1.07735 -23.4326 -1.40126 -33.1663 -74.5879 -25.729 -71.4054 50.449 TIMING: 2771400 CPU: 8349.32, 0.0029844/step Wall: 8349.32, 0.0029844/step, 1.84751 hours remaining, 209.066406 MB of memory in use. ENERGY: 2771400 755.5868 2058.4140 1959.6102 118.0133 -206595.4351 17987.3448 0.0000 0.0000 34212.7113 -149503.7547 298.7881 -183716.4660 -149401.0100 298.9040 31.9684 65.6777 556835.5386 2.8485 2.9048 PRESSURE: 2771600 -36.9499 -176.478 87.5705 -176.477 21.2588 -4.84533 87.5714 -4.84415 -49.5268 GPRESSURE: 2771600 34.0364 -179.836 32.7072 -146.709 9.53999 3.86978 126.842 -35.68 -18.9286 PRESSAVG: 2771600 -12.5748 2.99349 27.4256 2.99347 -91.6915 -57.7588 27.4255 -57.7587 79.3757 GPRESSAVG: 2771600 -13.3843 2.30565 27.0892 3.76207 -91.3865 -54.5252 28.2579 -59.7849 79.2253 TIMING: 2771600 CPU: 8349.92, 0.00300931/step Wall: 8349.92, 0.00300931/step, 1.86276 hours remaining, 209.066406 MB of memory in use. ENERGY: 2771600 720.3271 2055.5529 1911.6216 116.1973 -206327.5990 17795.4802 0.0000 0.0000 34217.6947 -149510.7252 298.8316 -183728.4199 -149417.3389 298.5160 -21.7393 8.2159 557345.0318 -8.2969 -8.5152 PRESSURE: 2771800 -13.3106 -66.7313 -95.9639 -66.7318 -176.526 -216.14 -95.9636 -216.138 -133.393 GPRESSURE: 2771800 17.0455 5.71441 -74.4765 -89.1338 -186.553 -202.381 -130.901 -234.978 -64.771 PRESSAVG: 2771800 22.3359 -24.6067 -3.04345 -24.6066 -53.7258 -43.0861 -3.04344 -43.0861 77.2284 GPRESSAVG: 2771800 22.8188 -23.0039 -1.50017 -24.7933 -54.3835 -44.771 -5.61278 -41.1685 76.9915 TIMING: 2771800 CPU: 8350.53, 0.00304012/step Wall: 8350.53, 0.00304012/step, 1.88166 hours remaining, 209.328125 MB of memory in use. ENERGY: 2771800 760.1078 2038.2613 1918.0914 102.3296 -206101.4606 17632.2341 0.0000 0.0000 34126.5716 -149523.8649 298.0358 -183650.4365 -149432.1116 298.3379 -107.7434 -78.0930 556505.0465 15.2795 15.1423 PRESSURE: 2772000 1.05032 -24.5885 -67.3368 -24.5884 -215.961 37.3528 -67.3359 37.3529 -162.703 GPRESSURE: 2772000 4.87258 -40.9088 -14.5752 -16.2788 -130.225 44.1951 -152.087 4.23063 -154.491 PRESSAVG: 2772000 21.51 9.09192 -15.5272 9.09191 30.8203 -13.6131 -15.5272 -13.6131 -55.6692 GPRESSAVG: 2772000 21.5511 8.46754 -18.7153 7.82732 30.8943 -12.5291 -11.4915 -16.477 -56.4771 TIMING: 2772000 CPU: 8351.14, 0.00302433/step Wall: 8351.14, 0.00302433/step, 1.87172 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: 2772000 748.7166 2050.5412 1913.2834 118.7385 -206406.8598 17740.9207 0.0000 0.0000 34255.2995 -149579.3598 299.1601 -183834.6593 -149476.2584 298.8728 -125.8712 -93.2813 557137.5714 -1.1130 -1.3439 PRESSURE: 2772200 47.5566 21.852 38.9205 21.8524 -202.812 27.3811 38.9208 27.3814 -31.4214 GPRESSURE: 2772200 87.8178 -10.9029 96.8766 62.8568 -168.364 -82.2 82.8561 60.8805 -5.51715 PRESSAVG: 2772200 17.5954 8.492 53.0127 8.49196 21.5402 -42.0198 53.0127 -42.0198 -56.4695 GPRESSAVG: 2772200 17.7403 8.5558 53.882 10.4039 20.8318 -42.6157 53.6745 -40.3488 -55.9293 TIMING: 2772200 CPU: 8351.74, 0.00302856/step Wall: 8351.74, 0.00302856/step, 1.87417 hours remaining, 209.328125 MB of memory in use. ENERGY: 2772200 726.6804 2124.2266 1926.8997 92.9524 -206444.5557 17682.1965 0.0000 0.0000 34288.4123 -149603.1878 299.4492 -183891.6001 -149504.0789 298.2067 -62.2255 -28.6877 555900.5418 -5.7780 -5.7857 LDB: ============= START OF LOAD BALANCING ============== 8355.26 LDB: ============== END OF LOAD BALANCING =============== 8355.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8355.27 LDB: ============= START OF LOAD BALANCING ============== 8355.57 LDB: Largest compute 4772 load 0.028503 is 24.1% of average load 0.118128 LDB: Average compute 0.001733 is 1.5% of average load 0.118128 LDB: TIME 8355.57 LOAD: AVG 0.118128 MAX 0.209955 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.711 MB LDB: TIME 8355.57 LOAD: AVG 0.118128 MAX 0.209955 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.715 MB LDB: TIME 8355.57 LOAD: AVG 0.118128 MAX 0.209955 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.715 MB LDB: ============== END OF LOAD BALANCING =============== 8355.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8355.58 PRESSURE: 2772400 79.0428 -121.487 -154.679 -121.488 -96.9432 -78.2355 -154.677 -78.236 -76.8713 GPRESSURE: 2772400 107.621 -120.605 -147.343 -168.053 -124.913 -43.8095 -98.3434 -70.0943 9.49427 PRESSAVG: 2772400 28.925 -45.792 -5.24272 -45.792 72.2829 -10.2907 -5.2427 -10.2908 -57.8259 GPRESSAVG: 2772400 30.1401 -48.3739 -2.37947 -45.9805 71.797 -12.1117 -8.08506 -9.70406 -58.5404 TIMING: 2772400 CPU: 8352.36, 0.00311198/step Wall: 8352.36, 0.00311198/step, 1.92562 hours remaining, 209.082031 MB of memory in use. ENERGY: 2772400 747.7191 2107.4329 1943.2161 116.9478 -206177.6536 17699.8449 0.0000 0.0000 34104.3432 -149458.1496 297.8417 -183562.4928 -149362.1827 298.6173 -31.5906 -2.5992 556080.9515 14.4607 14.4656 PRESSURE: 2772600 34.8477 0.433235 37.2271 0.434245 -0.596371 74.9733 37.2274 74.9753 261.413 GPRESSURE: 2772600 73.9451 15.9359 50.6753 -32.8895 14.4846 101.85 -18.5453 20.616 298.489 PRESSAVG: 2772600 31.9957 -28.0495 -58.3387 -28.0496 24.9508 -16.8625 -58.3388 -16.8625 -26.7279 GPRESSAVG: 2772600 30.6228 -25.0874 -59.6609 -30.2708 24.8897 -15.478 -56.5431 -15.7292 -25.8089 TIMING: 2772600 CPU: 8352.97, 0.00304781/step Wall: 8352.97, 0.00304781/step, 1.88575 hours remaining, 209.285156 MB of memory in use. ENERGY: 2772600 775.5227 2024.3180 1945.7876 120.2266 -206842.6255 18063.1697 0.0000 0.0000 34433.4056 -149480.1953 300.7155 -183913.6009 -149382.8960 299.3088 98.5547 128.9730 556333.7576 10.0729 9.9012 PRESSURE: 2772800 285.085 17.5484 -117.386 17.5481 45.2918 -124.021 -117.386 -124.021 -154.335 GPRESSURE: 2772800 299.589 -6.75908 -130.377 37.2725 98.8816 -159.507 -92.9285 -22.438 -114.562 PRESSAVG: 2772800 56.1256 -24.5046 -2.59581 -24.5046 -25.3116 -0.905126 -2.59579 -0.905143 4.64424 GPRESSAVG: 2772800 55.7181 -27.294 -1.77187 -23.2352 -24.0669 -1.7761 -3.47384 -0.424044 4.00187 TIMING: 2772800 CPU: 8353.58, 0.00304403/step Wall: 8353.58, 0.00304403/step, 1.88324 hours remaining, 209.285156 MB of memory in use. ENERGY: 2772800 756.7843 2049.5844 1952.4058 117.2033 -206533.3643 17888.2868 0.0000 0.0000 34172.1710 -149596.9286 298.4341 -183769.0996 -149504.6085 298.7448 58.6804 94.6362 557119.9243 11.8194 11.8844 PRESSURE: 2773000 -128.821 123.801 -59.0526 123.8 18.9651 -31.3968 -59.0517 -31.3959 -258.974 GPRESSURE: 2773000 -168.517 37.1741 -107.084 90.9932 90.8832 -34.3554 -46.063 -72.4873 -207.849 PRESSAVG: 2773000 0.885061 36.1813 32.5547 36.1813 42.2273 -59.8191 32.5547 -59.8192 -59.4706 GPRESSAVG: 2773000 0.108859 38.4819 31.8294 36.7441 41.0143 -61.1957 31.509 -60.0703 -58.062 TIMING: 2773000 CPU: 8354.19, 0.00302444/step Wall: 8354.19, 0.00302444/step, 1.87095 hours remaining, 209.285156 MB of memory in use. ENERGY: 2773000 752.1413 2073.5891 1935.6601 112.3001 -206218.3074 17771.6636 0.0000 0.0000 34150.5405 -149422.4127 298.2452 -183572.9532 -149325.0576 298.0408 -122.9436 -95.1609 558225.0683 -5.4527 -5.6463 PRESSURE: 2773200 5.34968 -69.5532 -60.8137 -69.553 169.107 -44.7383 -60.8142 -44.7389 8.05001 GPRESSURE: 2773200 62.3491 -33.2891 10.2461 -13.472 166.065 -96.8233 -150.99 -4.62258 41.954 PRESSAVG: 2773200 -59.2611 56.7657 3.8189 56.7656 70.6615 -47.5669 3.81894 -47.5668 -41.5663 GPRESSAVG: 2773200 -57.497 55.5138 1.85656 58.0288 71.1225 -48.2183 6.17593 -48.3859 -43.5715 TIMING: 2773200 CPU: 8354.79, 0.00302514/step Wall: 8354.79, 0.00302514/step, 1.87122 hours remaining, 209.285156 MB of memory in use. ENERGY: 2773200 768.3758 2014.0432 1933.1131 106.0608 -206566.1117 18098.7866 0.0000 0.0000 34136.6382 -149509.0939 298.1238 -183645.7321 -149408.8733 298.4381 60.8357 90.1229 558032.0552 -10.0553 -9.9820 PRESSURE: 2773400 56.9042 -45.2444 64.4251 -45.2442 420.853 -23.7727 64.4254 -23.774 56.1321 GPRESSURE: 2773400 113.347 -2.99664 -13.4624 -102.184 402.209 -112.929 101.794 31.3195 105.71 PRESSAVG: 2773400 11.1703 29.9628 -6.97812 29.9627 -3.81239 4.36454 -6.97818 4.3647 4.15399 GPRESSAVG: 2773400 11.1415 28.9718 -6.90304 28.4442 -4.07886 7.19111 -7.45004 1.73456 4.39378 TIMING: 2773400 CPU: 8355.4, 0.00302157/step Wall: 8355.4, 0.00302157/step, 1.86884 hours remaining, 209.285156 MB of memory in use. ENERGY: 2773400 757.6520 2060.3712 1931.6621 114.0483 -206695.6300 18197.4720 0.0000 0.0000 34141.5008 -149492.9236 298.1662 -183634.4244 -149393.6145 298.2948 177.9630 207.0887 555912.6972 3.8373 3.8188 PRESSURE: 2773600 -319.437 116.589 52.4334 116.59 -195.639 143.579 52.4335 143.58 195.413 GPRESSURE: 2773600 -253.201 99.9979 98.9193 95.2184 -123.048 125.147 -44.9818 64.6806 156.81 PRESSAVG: 2773600 -17.0449 -24.5317 19.012 -24.5319 22.3376 -2.61234 19.012 -2.61226 30.6578 GPRESSAVG: 2773600 -17.7345 -25.52 19.2628 -24.8558 21.4338 -3.89635 19.2549 -1.14261 31.9754 TIMING: 2773600 CPU: 8356, 0.00301976/step Wall: 8356, 0.00301976/step, 1.86755 hours remaining, 209.285156 MB of memory in use. ENERGY: 2773600 750.1387 2108.5709 1916.0496 112.3745 -206260.4104 17876.5510 0.0000 0.0000 34027.6667 -149469.0590 297.1721 -183496.7256 -149375.3445 298.5143 -106.5541 -73.1465 556607.3983 11.9835 11.8916 PRESSURE: 2773800 -137.07 66.3305 -30.2605 66.3312 -72.4245 -195.69 -30.2604 -195.691 -334.029 GPRESSURE: 2773800 -122.475 17.8738 -49.6747 13.9811 -37.8167 -112.575 -51.5508 -193.106 -298.016 PRESSAVG: 2773800 -44.4275 57.0159 65.4532 57.0159 12.0577 7.59174 65.4532 7.59174 39.6507 GPRESSAVG: 2773800 -44.4109 58.7173 66.8698 56.6923 12.7356 8.53642 63.5682 9.59228 39.0359 TIMING: 2773800 CPU: 8356.59, 0.0029674/step Wall: 8356.59, 0.0029674/step, 1.83501 hours remaining, 209.285156 MB of memory in use. ENERGY: 2773800 730.3096 2092.6528 1892.0819 118.4478 -206015.7316 17521.6757 0.0000 0.0000 34255.7028 -149404.8611 299.1636 -183660.5639 -149307.8654 298.8099 -181.1744 -152.7692 556884.1014 2.4270 2.4535 PRESSURE: 2774000 7.10921 41.5493 -45.94 41.55 -58.8811 100.052 -45.9391 100.052 -100.198 GPRESSURE: 2774000 31.6645 4.27134 -117.822 61.1647 -48.8959 119.44 -24.9019 66.6546 -40.104 PRESSAVG: 2774000 -24.0102 42.6305 29.614 42.6305 64.7208 -25.9817 29.614 -25.9818 8.92457 GPRESSAVG: 2774000 -23.2239 42.045 28.0437 42.9329 64.22 -26.1714 30.8822 -28.526 8.91324 TIMING: 2774000 CPU: 8357.19, 0.0030059/step Wall: 8357.19, 0.0030059/step, 1.85865 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: 2774000 774.2672 2071.3474 1919.4511 110.2107 -206296.4615 17828.6260 0.0000 0.0000 34073.6597 -149518.8994 297.5737 -183592.5591 -149423.8788 298.9864 -50.6565 -19.1118 556332.5267 16.5451 16.6365 PRESSURE: 2774200 163.182 -73.4943 86.2801 -73.4923 -222.703 -41.3732 86.2808 -41.3733 -381.808 GPRESSURE: 2774200 183.913 -56.686 63.9607 -178.951 -210.155 -3.64463 178.338 -21.2175 -324.108 PRESSAVG: 2774200 57.4626 -8.40398 18.8378 -8.40395 -7.54885 -51.2608 18.8379 -51.2608 10.1911 GPRESSAVG: 2774200 58.0651 -8.20159 20.3266 -9.51602 -7.83776 -51.6479 19.0824 -49.3044 10.3128 TIMING: 2774200 CPU: 8357.79, 0.00299501/step Wall: 8357.79, 0.00299501/step, 1.85175 hours remaining, 209.285156 MB of memory in use. ENERGY: 2774200 749.0904 1997.7953 1921.0337 115.7056 -206438.5050 17860.7901 0.0000 0.0000 34222.3722 -149571.7178 298.8725 -183794.0900 -149478.4736 298.4401 -147.1097 -116.7833 556436.3433 20.0349 20.1800 PRESSURE: 2774400 -126.782 140.681 -54.3219 140.682 -11.2205 154.326 -54.3212 154.326 -152.129 GPRESSURE: 2774400 -74.9202 43.0942 -30.6711 234.726 34.5341 178.565 -91.5363 180.633 -149.958 PRESSAVG: 2774400 -7.71401 -12.9114 -15.7316 -12.9115 31.0849 -23.9723 -15.7317 -23.9723 -22.3238 GPRESSAVG: 2774400 -8.20141 -13.4584 -15.8369 -10.5092 30.8391 -23.8724 -15.545 -25.755 -22.4707 TIMING: 2774400 CPU: 8358.4, 0.00301007/step Wall: 8358.4, 0.00301007/step, 1.86089 hours remaining, 209.285156 MB of memory in use. ENERGY: 2774400 745.3670 2089.8714 1912.0357 102.5553 -206193.9588 17690.5968 0.0000 0.0000 34154.9501 -149498.5824 298.2837 -183653.5325 -149410.4409 298.2911 -96.7103 -63.4480 557713.3410 0.3491 0.0557 PRESSURE: 2774600 -148.181 -88.6485 12.6542 -88.6481 -297.434 -47.3301 12.6538 -47.3311 -9.61387 GPRESSURE: 2774600 -111.206 -106.554 -98.5697 -44.5728 -232.434 -113.433 70.3989 74.1963 -11.4479 PRESSAVG: 2774600 16.3511 50.0661 9.89837 50.0661 3.52787 20.0324 9.89839 20.0324 -20.9285 GPRESSAVG: 2774600 15.9912 50.1377 10.556 49.2262 3.19588 18.5812 8.87518 20.5136 -20.4793 TIMING: 2774600 CPU: 8359, 0.00301481/step Wall: 8359, 0.00301481/step, 1.86365 hours remaining, 209.402344 MB of memory in use. ENERGY: 2774600 767.8713 2078.1952 1928.1735 113.4799 -205987.5128 17731.9194 0.0000 0.0000 33991.4402 -149376.4333 296.8557 -183367.8734 -149284.7875 299.3448 -151.7427 -118.3626 559487.3812 -0.3498 -0.4307 PRESSURE: 2774800 89.168 111.333 -72.1 111.333 -175.873 -58.4613 -72.1001 -58.4609 -63.1853 GPRESSURE: 2774800 48.989 128.55 -118.161 66.7232 -66.8215 -33.5804 -63.4286 -83.4854 -37.6249 PRESSAVG: 2774800 -21.048 -48.6708 -24.1308 -48.6708 16.7136 -16.4187 -24.1308 -16.4187 -49.7858 GPRESSAVG: 2774800 -20.7852 -49.8888 -24.4864 -48.7376 18.0199 -13.9241 -24.4352 -17.4464 -51.0951 TIMING: 2774800 CPU: 8359.6, 0.00299833/step Wall: 8359.6, 0.00299833/step, 1.8533 hours remaining, 209.402344 MB of memory in use. ENERGY: 2774800 736.5618 2079.4490 1907.4114 112.1000 -205877.6284 17660.4016 0.0000 0.0000 34222.9812 -149158.7233 298.8778 -183381.7045 -149065.5951 298.9487 -49.9634 -18.4858 556999.4845 -18.0401 -17.9535 PRESSURE: 2775000 -27.5603 146.18 89.6731 146.181 -44.3464 -28.0632 89.6746 -28.0632 -161.231 GPRESSURE: 2775000 19.272 97.3893 67.033 84.108 -5.99592 76.5768 109.029 -61.9904 -139.418 PRESSAVG: 2775000 18.4221 -46.5117 -14.1219 -46.5118 29.0939 35.2752 -14.1218 35.2752 -28.8101 GPRESSAVG: 2775000 18.0248 -45.7116 -14.0894 -48.8105 28.9935 36.3642 -14.1511 36.1549 -28.0347 TIMING: 2775000 CPU: 8360.2, 0.0029872/step Wall: 8360.2, 0.0029872/step, 1.84626 hours remaining, 209.402344 MB of memory in use. ENERGY: 2775000 733.6857 2083.6583 1918.3409 105.9542 -205781.6417 17578.2916 0.0000 0.0000 34157.0759 -149204.6350 298.3022 -183361.7109 -149114.7548 298.9922 -77.7125 -42.0474 557778.3248 6.2353 6.3279 PRESSURE: 2775200 -115.166 -62.962 36.2169 -62.9628 -319.829 -2.51538 36.2171 -2.51561 -133.897 GPRESSURE: 2775200 -109.719 38.941 41.0347 -101.063 -271.493 -30.2019 10.5929 2.54748 -79.7527 PRESSAVG: 2775200 17.4025 -0.601693 -56.0264 -0.601682 -10.5922 -20.9365 -56.0265 -20.9364 -12.2293 GPRESSAVG: 2775200 17.6978 -0.746011 -55.3418 1.01402 -9.78956 -22.5631 -53.8816 -19.0123 -13.9859 TIMING: 2775200 CPU: 8360.8, 0.0030093/step Wall: 8360.8, 0.0030093/step, 1.85975 hours remaining, 209.402344 MB of memory in use. ENERGY: 2775200 763.9954 2063.9799 1948.1296 114.9442 -205894.6044 17584.7707 0.0000 0.0000 34338.9884 -149079.7962 299.8909 -183418.7846 -148986.6528 298.8329 -189.6306 -153.6550 557437.6805 -1.8064 -2.0259 PRESSURE: 2775400 -415.722 200.26 87.9367 200.261 -121.983 82.4046 87.9375 82.4053 -497.817 GPRESSURE: 2775400 -390.555 131.35 131.646 209.557 -104.759 51.3205 74.2553 -44.4666 -431.093 PRESSAVG: 2775400 -8.85724 48.8597 5.39595 48.8596 53.3234 0.373865 5.39583 0.373883 -61.24 GPRESSAVG: 2775400 -9.55744 50.405 4.36514 47.8241 53.2497 0.110181 1.99958 -0.0196123 -60.4296 TIMING: 2775400 CPU: 8361.4, 0.00300525/step Wall: 8361.4, 0.00300525/step, 1.85708 hours remaining, 209.402344 MB of memory in use. ENERGY: 2775400 732.9357 2129.7497 1944.4589 117.5008 -205933.0141 17321.7580 0.0000 0.0000 34426.0095 -149260.6015 300.6509 -183686.6110 -149165.6963 299.8637 -345.1740 -308.8022 558752.2924 -5.5913 -5.5791 PRESSURE: 2775600 30.9542 -0.0110476 35.4317 -0.0103866 -27.2482 87.5822 35.4316 87.5828 11.128 GPRESSURE: 2775600 67.5411 2.04209 142.059 13.6237 -29.6649 77.1872 -9.24752 45.7941 66.543 PRESSAVG: 2775600 72.3736 32.2134 42.959 32.2135 52.0237 35.0371 42.959 35.0373 -130.476 GPRESSAVG: 2775600 72.5519 31.803 42.397 33.2276 50.824 33.5366 44.9021 35.0132 -130.033 TIMING: 2775600 CPU: 8362, 0.00298867/step Wall: 8362, 0.00298867/step, 1.84667 hours remaining, 209.402344 MB of memory in use. ENERGY: 2775600 782.6942 2154.2005 1939.6228 98.5022 -206318.7223 17847.6541 0.0000 0.0000 34027.2287 -149468.8198 297.1683 -183496.0486 -149375.6877 299.2442 4.9447 34.8064 557212.3108 -2.0261 -2.2190 PRESSURE: 2775800 -188.671 114.039 -57.7827 114.039 99.8962 -150.269 -57.7841 -150.268 -62.5164 GPRESSURE: 2775800 -159.169 194.663 -73.7444 39.6736 145.595 -165.109 -94.8239 -68.44 -36.883 PRESSAVG: 2775800 -11.8631 -13.8816 -12.7885 -13.8815 -11.8103 31.4744 -12.7885 31.4744 -22.912 GPRESSAVG: 2775800 -12.0931 -15.2026 -12.5486 -16.1453 -11.541 34.337 -12.5169 30.0261 -22.9452 TIMING: 2775800 CPU: 8362.6, 0.00301188/step Wall: 8362.6, 0.00301188/step, 1.86084 hours remaining, 209.402344 MB of memory in use. ENERGY: 2775800 733.8830 2079.4765 1950.2833 115.3371 -206195.4038 17683.1803 0.0000 0.0000 34416.3738 -149216.8698 300.5668 -183633.2435 -149117.3652 299.1507 -50.4305 -16.8190 557816.2761 -15.5285 -15.5264 PRESSURE: 2776000 -137.1 -55.7624 29.2758 -55.763 34.3852 -32.5658 29.2761 -32.5665 -90.3077 GPRESSURE: 2776000 -110.634 30.8307 56.0037 -71.7033 73.3156 -117.63 -47.1786 -19.4581 -53.5562 PRESSAVG: 2776000 -41.061 31.618 -0.277633 31.618 -4.35322 13.6961 -0.277651 13.6962 28.8531 GPRESSAVG: 2776000 -39.6505 31.8207 -0.975218 33.0869 -4.56745 13.0127 0.572659 14.8112 28.3317 TIMING: 2776000 CPU: 8363.2, 0.00300564/step Wall: 8363.2, 0.00300564/step, 1.85682 hours remaining, 209.402344 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: 2776000 764.2618 2088.2250 1933.6835 123.5349 -206333.7280 17804.4101 0.0000 0.0000 34307.6326 -149311.9801 299.6171 -183619.6127 -149212.2089 299.5843 -64.3409 -30.2917 557079.9910 -5.5204 -5.2954 PRESSURE: 2776200 244.509 -131.272 -20.4465 -131.272 -161.343 -17.3391 -20.4464 -17.3405 248.987 GPRESSURE: 2776200 298.889 -122.384 -88.671 -140.403 -151.025 -81.0645 3.5014 -47.3479 277.415 PRESSAVG: 2776200 40.549 -33.4764 16.3102 -33.4764 -38.2339 -44.0674 16.3103 -44.0674 -42.4879 GPRESSAVG: 2776200 38.2917 -31.4118 15.4821 -34.8959 -37.2403 -44.9221 16.0484 -43.8924 -41.5865 TIMING: 2776200 CPU: 8363.8, 0.00299901/step Wall: 8363.8, 0.00299901/step, 1.85256 hours remaining, 209.468750 MB of memory in use. ENERGY: 2776200 723.5402 2136.5164 1934.6474 117.9015 -206198.2995 17918.6181 0.0000 0.0000 34057.0591 -149310.0167 297.4288 -183367.0758 -149217.2621 299.1027 110.7176 141.7595 555772.9650 -13.3909 -13.5117 LDB: ============= START OF LOAD BALANCING ============== 8367.31 LDB: ============== END OF LOAD BALANCING =============== 8367.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8367.32 LDB: ============= START OF LOAD BALANCING ============== 8367.62 LDB: Largest compute 4772 load 0.027809 is 23.5% of average load 0.118138 LDB: Average compute 0.001735 is 1.5% of average load 0.118138 LDB: TIME 8367.62 LOAD: AVG 0.118138 MAX 0.209768 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.328 MB LDB: TIME 8367.62 LOAD: AVG 0.118138 MAX 0.209768 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.328 MB LDB: TIME 8367.62 LOAD: AVG 0.118138 MAX 0.209768 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.328 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8367.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8367.63 PRESSURE: 2776400 -130.741 -167.357 27.2984 -167.359 87.2393 -51.2422 27.298 -51.2441 98.7487 GPRESSURE: 2776400 -111.254 -156.592 110.863 -185.537 114.929 -118.766 -41.9625 -91.6013 146.44 PRESSAVG: 2776400 40.204 -20.3167 -4.13866 -20.3167 -10.1702 42.8678 -4.13861 42.8678 17.5211 GPRESSAVG: 2776400 40.9788 -22.5406 -2.82184 -18.1661 -10.3429 43.4587 -4.09023 41.6931 17.6706 TIMING: 2776400 CPU: 8364.41, 0.00305026/step Wall: 8364.41, 0.00305026/step, 1.88404 hours remaining, 210.480469 MB of memory in use. ENERGY: 2776400 747.0777 2162.1685 1935.3108 107.8054 -206348.1725 18006.4498 0.0000 0.0000 34157.0047 -149232.3556 298.3016 -183389.3603 -149139.0590 299.3064 18.4156 50.0387 557725.3746 15.8516 16.1022 PRESSURE: 2776600 96.5997 13.4742 -102.779 13.474 -344.733 66.3835 -102.778 66.3837 -45.0315 GPRESSURE: 2776600 92.6305 -26.937 -77.7349 45.2639 -281.523 76.6764 -96.135 82.583 -8.4793 PRESSAVG: 2776600 60.8741 -21.9388 -17.695 -21.9388 -33.6814 11.3798 -17.6951 11.3798 -14.4404 GPRESSAVG: 2776600 60.9282 -21.7227 -16.8016 -21.9369 -34.1583 11.5518 -18.0534 12.5356 -14.3647 TIMING: 2776600 CPU: 8365.02, 0.00306219/step Wall: 8365.02, 0.00306219/step, 1.89124 hours remaining, 210.683594 MB of memory in use. ENERGY: 2776600 752.0523 2132.4013 1931.3596 113.1654 -206015.2466 17708.2803 0.0000 0.0000 34245.2223 -149132.7656 299.0720 -183377.9878 -149034.9207 299.5727 -97.7217 -65.7907 558501.3290 4.2507 4.1351 PRESSURE: 2776800 78.2767 -47.6857 -263.974 -47.687 242.128 31.683 -263.973 31.6824 -111.095 GPRESSURE: 2776800 143.352 -22.8377 -235.785 -162.925 262.801 -156.226 -251.811 161.734 -104.257 PRESSAVG: 2776800 40.0982 27.159 -56.376 27.1589 -41.7525 -50.7659 -56.3759 -50.7659 -12.8072 GPRESSAVG: 2776800 40.46 26.8854 -56.7394 26.9738 -40.9025 -51.2383 -56.4159 -50.7159 -13.6095 TIMING: 2776800 CPU: 8365.63, 0.00303934/step Wall: 8365.63, 0.00303934/step, 1.87696 hours remaining, 210.683594 MB of memory in use. ENERGY: 2776800 716.5480 2068.2498 1945.3614 115.0435 -206447.6060 18059.9275 0.0000 0.0000 34472.8461 -149069.6297 301.0599 -183542.4758 -148965.4525 299.6767 69.7696 100.6317 559572.0259 -4.8205 -4.6840 PRESSURE: 2777000 -61.8179 123.78 46.285 123.778 -81.4283 -110.944 46.2848 -110.944 336.947 GPRESSURE: 2777000 8.0883 59.1009 107.482 226.892 -55.1258 -5.76574 63.3609 -158.938 347.755 PRESSAVG: 2777000 44.0514 -23.4352 -63.4931 -23.4352 -48.7394 -19.8586 -63.4932 -19.8586 63.7618 GPRESSAVG: 2777000 44.4354 -22.3874 -63.5425 -24.6311 -50.4453 -20.0486 -62.1987 -20.8064 65.7701 TIMING: 2777000 CPU: 8366.23, 0.00300002/step Wall: 8366.23, 0.00300002/step, 1.85251 hours remaining, 210.683594 MB of memory in use. ENERGY: 2777000 734.3426 2073.3965 1963.6656 117.3482 -206522.9475 18144.5156 0.0000 0.0000 34307.6089 -149182.0701 299.6169 -183489.6789 -149081.6942 299.4661 64.5669 100.2391 558252.4629 19.6913 19.9200 PRESSURE: 2777200 178.285 -27.0251 -48.6996 -27.025 90.6441 143.175 -48.7002 143.173 219.826 GPRESSURE: 2777200 178.507 -145.576 18.6062 65.9151 176.544 130.704 -37.3254 110.037 225.343 PRESSAVG: 2777200 -25.7407 24.7667 -79.5974 24.7668 -18.5734 -26.0621 -79.5974 -26.062 22.8235 GPRESSAVG: 2777200 -26.5737 24.7304 -80.3222 25.4985 -18.2135 -24.987 -82.1919 -23.1934 22.8047 TIMING: 2777200 CPU: 8366.83, 0.00299023/step Wall: 8366.83, 0.00299023/step, 1.8463 hours remaining, 210.683594 MB of memory in use. ENERGY: 2777200 735.4098 2101.4445 1943.9822 115.7479 -206490.1120 18025.3983 0.0000 0.0000 34326.0294 -149242.0999 299.7778 -183568.1293 -149138.9613 298.9717 162.9184 193.4646 557284.0508 -7.1635 -7.3275 PRESSURE: 2777400 -25.0751 -19.6149 -12.7629 -19.6152 120.889 7.70925 -12.7628 7.70759 103.335 GPRESSURE: 2777400 46.915 5.26272 -31.2553 -73.7538 134.948 42.4453 27.0632 -16.903 101.385 PRESSAVG: 2777400 -20.6155 24.7821 19.6351 24.7821 -9.05141 -20.3476 19.6352 -20.3477 2.51547 GPRESSAVG: 2777400 -20.0756 23.4691 18.5473 24.3726 -9.01698 -20.5376 20.4584 -22.5672 2.29414 TIMING: 2777400 CPU: 8367.43, 0.0029981/step Wall: 8367.43, 0.0029981/step, 1.851 hours remaining, 210.683594 MB of memory in use. ENERGY: 2777400 731.6754 2064.8813 1931.9063 107.2359 -206136.5625 17882.0157 0.0000 0.0000 34231.5217 -149187.3263 298.9524 -183418.8479 -149091.1285 299.1924 66.3829 94.4161 556635.1224 -9.0505 -8.9328 PRESSURE: 2777600 3.57049 -19.2358 -84.8123 -19.2351 49.6103 -264.777 -84.8106 -264.776 130.111 GPRESSURE: 2777600 12.6945 -12.6328 -20.2314 82.1217 139.589 -259.415 -15.1455 -224.654 143.464 PRESSAVG: 2777600 -68.7944 -9.72243 20.7373 -9.72245 37.6848 -33.4819 20.7373 -33.4818 52.3261 GPRESSAVG: 2777600 -69.4016 -9.96312 22.7417 -8.56515 38.2432 -32.9894 20.565 -35.4477 52.4176 TIMING: 2777600 CPU: 8368.03, 0.00302704/step Wall: 8368.03, 0.00302704/step, 1.86869 hours remaining, 210.886719 MB of memory in use. ENERGY: 2777600 724.5136 2110.3451 1917.8441 110.8156 -205945.6491 17829.8453 0.0000 0.0000 34266.0603 -148986.2251 299.2540 -183252.2854 -148893.1312 299.3704 61.0973 98.5823 557919.8660 7.0722 7.0864 PRESSURE: 2777800 -158.004 -61.3324 14.5739 -61.3326 87.0225 -14.5011 14.5742 -14.5014 93.1017 GPRESSURE: 2777800 -72.5937 40.7834 34.1414 -130.575 76.6218 38.8427 26.9952 -56.838 110.209 PRESSAVG: 2777800 -40.1496 2.22771 6.34158 2.22774 29.2328 3.56944 6.34159 3.56942 23.868 GPRESSAVG: 2777800 -38.8479 3.45048 5.94184 -0.420696 28.3026 2.94649 6.75643 7.48174 24.0237 TIMING: 2777800 CPU: 8368.64, 0.00304207/step Wall: 8368.64, 0.00304207/step, 1.8778 hours remaining, 210.886719 MB of memory in use. ENERGY: 2777800 770.2773 2117.0209 1939.1636 112.1417 -205593.2889 17630.9652 0.0000 0.0000 34292.7614 -148730.9590 299.4872 -183023.7204 -148638.5375 299.8316 7.3734 38.0792 557766.8476 4.3171 4.4928 PRESSURE: 2778000 -196.124 3.20451 113.053 3.20441 -293.279 19.6115 113.054 19.6114 36.1017 GPRESSURE: 2778000 -191.292 66.6627 50.0485 -62.5274 -179.994 61.7481 96.5541 49.0931 17.9397 PRESSAVG: 2778000 -9.58411 -31.1505 -0.323198 -31.1505 -10.932 4.20745 -0.323205 4.20734 33.9498 GPRESSAVG: 2778000 -9.96847 -32.469 -0.972364 -27.7604 -9.83022 3.90794 -0.330445 4.94412 33.3981 TIMING: 2778000 CPU: 8369.25, 0.00301927/step Wall: 8369.25, 0.00301927/step, 1.86356 hours remaining, 210.886719 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: 2778000 788.6828 2133.9603 1952.9163 99.4525 -205684.7614 17455.1763 0.0000 0.0000 34610.7068 -148643.8665 302.2639 -183254.5733 -148552.4011 301.1199 -151.1003 -117.7822 558011.9661 4.4779 4.5331 PRESSURE: 2778200 -299.962 -85.3396 -48.4531 -85.3405 -136.179 -136.889 -48.4532 -136.888 -104.767 GPRESSURE: 2778200 -276.849 -41.3731 -31.8589 -77.6532 -90.8942 -180.421 -50.2391 -157.852 -71.4776 PRESSAVG: 2778200 -34.7187 5.29799 15.5863 5.29788 34.6518 29.4662 15.5863 29.466 7.14323 GPRESSAVG: 2778200 -34.0442 6.37801 16.0575 3.3726 33.3345 31.3881 15.1998 26.305 7.15287 TIMING: 2778200 CPU: 8369.85, 0.00300637/step Wall: 8369.85, 0.00300637/step, 1.85543 hours remaining, 210.886719 MB of memory in use. ENERGY: 2778200 795.2506 2111.6121 1925.2826 105.9667 -205509.3994 17541.9396 0.0000 0.0000 34525.4588 -148503.8889 301.5194 -183029.3477 -148409.3345 301.3055 -180.3025 -146.4068 557973.9262 2.3588 2.1477 PRESSURE: 2778400 -111.437 -20.1659 -194.278 -20.1652 -385.387 51.9516 -194.276 51.9531 -284.413 GPRESSURE: 2778400 -140.819 -124.023 -228.869 77.6891 -309.322 2.85694 -143.861 -17.7913 -222.822 PRESSAVG: 2778400 -1.39171 -0.235828 16.1518 -0.235759 -14.6301 48.2966 16.1518 48.2966 4.32313 GPRESSAVG: 2778400 -2.05495 0.300277 14.9885 -0.0627409 -13.3835 46.2654 17.4952 50.0116 3.88152 TIMING: 2778400 CPU: 8370.45, 0.002993/step Wall: 8370.45, 0.002993/step, 1.84701 hours remaining, 210.886719 MB of memory in use. ENERGY: 2778400 776.3593 2133.4610 1924.9827 106.9268 -205815.3119 17514.3091 0.0000 0.0000 34697.9136 -148661.3594 303.0255 -183359.2730 -148562.7492 301.4952 -260.4124 -224.3211 557677.5201 -3.8996 -3.8523 PRESSURE: 2778600 -122.98 -104.457 104.7 -104.456 -15.6061 17.0745 104.701 17.0738 392.79 GPRESSURE: 2778600 -83.0333 -34.4431 56.7213 -156.613 14.4642 19.1519 111.797 -27.1285 434.509 PRESSAVG: 2778600 -51.3008 6.75972 38.8051 6.75969 -18.1731 -21.721 38.8052 -21.7208 45.3337 GPRESSAVG: 2778600 -51.0499 8.20393 38.9987 6.84055 -18.0975 -21.4186 36.817 -22.1541 45.821 TIMING: 2778600 CPU: 8371.04, 0.00298451/step Wall: 8371.04, 0.00298451/step, 1.84161 hours remaining, 210.886719 MB of memory in use. ENERGY: 2778600 755.7817 2056.9419 1957.9657 112.0928 -206081.3950 17989.1817 0.0000 0.0000 34626.9044 -148582.5268 302.4054 -183209.4312 -148494.4897 301.2002 84.7347 121.9801 558365.2910 -8.0467 -7.7754 PRESSURE: 2778800 146.427 -8.27957 28.9244 -8.2793 47.4434 -61.4041 28.9245 -61.4052 -159.668 GPRESSURE: 2778800 187.138 33.2859 3.8962 -109.005 46.5464 -54.6817 11.243 -33.0431 -89.0537 PRESSAVG: 2778800 -71.5005 33.9651 -18.3391 33.9652 87.9644 21.4709 -18.3391 21.4709 5.88565 GPRESSAVG: 2778800 -71.2939 33.5527 -17.978 33.3215 87.9576 21.3241 -17.4341 21.8779 5.40097 TIMING: 2778800 CPU: 8371.65, 0.0030156/step Wall: 8371.65, 0.0030156/step, 1.86063 hours remaining, 210.886719 MB of memory in use. ENERGY: 2778800 760.1364 2112.0366 1956.5558 122.5944 -205908.7231 17846.7970 0.0000 0.0000 34426.7909 -148683.8121 300.6577 -183110.6030 -148590.1594 301.7922 11.4010 48.2104 558628.2802 7.4499 7.3549 PRESSURE: 2779000 87.396 -64.4589 92.2374 -64.4584 -27.0715 44.9126 92.2378 44.9105 171.913 GPRESSURE: 2779000 145.973 -119.657 72.4383 -53.8331 19.9477 -39.6369 17.7228 25.8603 163.32 PRESSAVG: 2779000 -11.0672 -6.23969 -18.8846 -6.23968 -29.6732 -65.1218 -18.8846 -65.1218 35.5531 GPRESSAVG: 2779000 -11.3493 -7.60395 -19.0036 -6.09504 -29.8234 -64.6449 -18.152 -66.4817 36.125 TIMING: 2779000 CPU: 8372.24, 0.00298022/step Wall: 8372.24, 0.00298022/step, 1.83863 hours remaining, 210.886719 MB of memory in use. ENERGY: 2779000 741.8401 2061.7175 1949.6073 115.8959 -206068.9446 17812.7754 0.0000 0.0000 34371.2783 -149015.8301 300.1729 -183387.1083 -148915.4865 300.0744 77.4126 109.7470 558380.5888 -1.7291 -1.6825 PRESSURE: 2779200 272.916 33.0704 17.0574 33.0702 226.251 15.7341 17.0571 15.7355 174.93 GPRESSURE: 2779200 253.208 109.476 -64.7228 -80.9289 306.512 -55.7957 98.1237 116.023 222.865 PRESSAVG: 2779200 -23.8568 -0.409825 -23.023 -0.409891 0.36675 0.137677 -23.0229 0.137702 43.4756 GPRESSAVG: 2779200 -23.6516 1.54872 -24.1561 -1.45886 -0.224798 -0.544267 -24.1277 1.9243 43.5234 TIMING: 2779200 CPU: 8372.84, 0.0029806/step Wall: 8372.84, 0.0029806/step, 1.8387 hours remaining, 210.886719 MB of memory in use. ENERGY: 2779200 732.3180 2088.3936 1928.5373 102.1282 -206393.5774 18176.1758 0.0000 0.0000 34297.9563 -149068.0683 299.5326 -183366.0245 -148970.8452 300.4457 224.6990 260.8614 556777.9276 6.6618 6.5490 PRESSURE: 2779400 126.876 -178.684 -138.635 -178.685 124.943 117.769 -138.634 117.769 -204.772 GPRESSURE: 2779400 139.647 -200.576 -48.8511 -152.537 112.434 101.053 -56.8176 135.567 -97.7103 PRESSAVG: 2779400 -59.2283 24.3238 -16.1519 24.3237 -30.6225 38.1744 -16.1518 38.1746 83.997 GPRESSAVG: 2779400 -59.5567 22.9318 -14.045 26.0074 -30.1901 37.9121 -17.6708 39.7212 83.8603 TIMING: 2779400 CPU: 8373.44, 0.00300316/step Wall: 8373.44, 0.00300316/step, 1.85245 hours remaining, 210.957031 MB of memory in use. ENERGY: 2779400 769.2851 2071.8574 1914.4798 111.0449 -206280.6724 18006.8035 0.0000 0.0000 34392.2877 -149014.9139 300.3564 -183407.2016 -148913.7645 300.2947 15.6825 51.4569 556503.8408 -1.9512 -1.9622 PRESSURE: 2779600 69.9425 -174.575 3.64469 -174.575 39.8096 -12.5048 3.64535 -12.5045 54.3865 GPRESSURE: 2779600 94.0116 -135.513 52.9569 -161.71 93.3167 -117.831 -60.4475 22.3416 78.8664 PRESSAVG: 2779600 20.0359 -65.9868 12.3439 -65.9868 -72.0122 -38.3591 12.344 -38.3591 43.7111 GPRESSAVG: 2779600 19.1441 -65.2424 13.0567 -65.5839 -72.0663 -37.6634 13.1537 -39.9381 44.8519 TIMING: 2779600 CPU: 8374.03, 0.002967/step Wall: 8374.03, 0.002967/step, 1.82998 hours remaining, 210.957031 MB of memory in use. ENERGY: 2779600 747.6402 2031.4340 1938.4112 115.6767 -206285.0049 17871.7758 0.0000 0.0000 34464.9176 -149115.1494 300.9907 -183580.0670 -149018.6128 300.2754 54.7129 88.7316 555959.7913 -2.7551 -2.6901 PRESSURE: 2779800 -173.795 57.6624 55.8336 57.6616 44.3499 19.321 55.8334 19.3214 -145.657 GPRESSURE: 2779800 -157.999 -20.4816 75.8781 80.3073 99.8177 12.8334 97.4826 8.6926 -109.538 PRESSAVG: 2779800 1.10718 2.50262 37.5439 2.50268 48.4765 -21.759 37.5439 -21.759 -35.3285 GPRESSAVG: 2779800 2.56255 3.13668 35.7402 1.5815 48.674 -19.2124 39.6252 -23.8697 -36.9934 TIMING: 2779800 CPU: 8374.63, 0.00300345/step Wall: 8374.63, 0.00300345/step, 1.85229 hours remaining, 210.957031 MB of memory in use. ENERGY: 2779800 714.8997 2047.2589 1929.0727 108.2133 -205856.9928 17509.8624 0.0000 0.0000 34299.6737 -149248.0122 299.5476 -183547.6859 -149149.0420 299.8371 -91.7004 -55.9063 557232.9163 4.7517 4.7477 PRESSURE: 2780000 25.7182 -90.7944 -118.875 -90.7943 159.982 27.5229 -118.874 27.5233 223.294 GPRESSURE: 2780000 113.432 -73.1648 -109.299 -131.949 208.693 65.8753 -61.4993 -22.7384 183.63 PRESSAVG: 2780000 52.1231 -56.2323 -46.231 -56.2324 -2.26754 10.732 -46.2311 10.7321 -71.2212 GPRESSAVG: 2780000 51.2346 -57.145 -47.243 -55.4805 -2.66897 10.9094 -46.646 11.2305 -70.3202 TIMING: 2780000 CPU: 8375.23, 0.00297153/step Wall: 8375.23, 0.00297153/step, 1.83244 hours remaining, 210.957031 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: 2780000 731.3739 2107.5616 1942.7518 120.9411 -205932.6779 17939.8673 0.0000 0.0000 34231.2346 -148858.9475 298.9499 -183090.1821 -148770.8959 299.5284 136.3314 168.5850 557651.4898 -7.1219 -7.2515 PRESSURE: 2780200 -115.127 113.019 -1.92547 113.019 177.693 -89.3781 -1.92702 -89.379 221.461 GPRESSURE: 2780200 -67.7708 201.889 -105.666 -20.6329 175.931 -50.4943 7.794 -83.1923 262.27 PRESSAVG: 2780200 23.635 44.4986 -16.1374 44.4986 8.69453 2.11267 -16.1373 2.11274 -33.8305 GPRESSAVG: 2780200 23.9305 47.6108 -15.3328 44.6161 9.37174 -0.51396 -16.7443 2.5405 -34.84 TIMING: 2780200 CPU: 8375.82, 0.00299201/step Wall: 8375.82, 0.00299201/step, 1.84491 hours remaining, 210.957031 MB of memory in use. ENERGY: 2780200 717.2612 2104.8926 1916.9559 116.6407 -205748.5521 17757.4590 0.0000 0.0000 34350.9867 -148784.3558 299.9957 -183135.3426 -148683.7605 300.3346 94.6755 123.4767 556350.9476 -0.5003 -0.5126 LDB: ============= START OF LOAD BALANCING ============== 8379.34 LDB: ============== END OF LOAD BALANCING =============== 8379.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8379.34 LDB: ============= START OF LOAD BALANCING ============== 8379.64 LDB: Largest compute 4772 load 0.026655 is 22.6% of average load 0.118153 LDB: Average compute 0.001726 is 1.5% of average load 0.118153 LDB: TIME 8379.65 LOAD: AVG 0.118153 MAX 0.208019 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.723 MB LDB: TIME 8379.65 LOAD: AVG 0.118153 MAX 0.208019 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.723 MB LDB: TIME 8379.65 LOAD: AVG 0.118153 MAX 0.208019 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.723 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8379.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8379.65 PRESSURE: 2780400 -81.2719 70.9333 47.4761 70.9344 -69.2695 -2.46521 47.4761 -2.46455 170.741 GPRESSURE: 2780400 -86.187 90.2778 77.7738 74.5425 3.74869 35.0323 101.411 -0.760113 205.879 PRESSAVG: 2780400 -68.1023 10.75 -25.645 10.7499 77.1812 2.32434 -25.6451 2.32431 18.2171 GPRESSAVG: 2780400 -68.8713 9.2324 -24.2409 9.94328 76.4874 4.82999 -26.2459 2.7866 19.8605 TIMING: 2780400 CPU: 8376.44, 0.00305414/step Wall: 8376.44, 0.00305414/step, 1.88305 hours remaining, 211.734375 MB of memory in use. ENERGY: 2780400 745.7129 2129.9479 1938.1432 101.1928 -205720.0349 17619.3373 0.0000 0.0000 34360.7274 -148824.9735 300.0808 -183185.7009 -148725.7351 300.6372 6.7334 41.1470 557338.3832 9.0987 9.1589 PRESSURE: 2780600 -239.41 -98.9552 1.53116 -98.9548 -81.0329 25.0059 1.53095 25.0065 77.9405 GPRESSURE: 2780600 -193.42 -79.8238 -27.5575 -131.58 -20.4898 -4.10256 36.8836 46.7763 61.4838 PRESSAVG: 2780600 -86.4655 34.1144 30.7451 34.1144 54.5049 23.2374 30.7452 23.2374 13.0737 GPRESSAVG: 2780600 -84.9447 32.8225 27.5663 33.481 54.7975 22.3075 33.0239 25.33 11.2281 TIMING: 2780600 CPU: 8377.04, 0.00302306/step Wall: 8377.04, 0.00302306/step, 1.86372 hours remaining, 211.804688 MB of memory in use. ENERGY: 2780600 752.6287 2071.1464 1950.5461 120.5438 -205952.2454 17692.9070 0.0000 0.0000 34341.5414 -149022.9319 299.9132 -183364.4733 -148926.5925 300.3653 -80.8343 -50.8086 557442.9149 -6.2956 -6.3064 PRESSURE: 2780800 142.287 -12.0268 -5.83723 -12.0261 271.03 13.3087 -5.83682 13.3094 178.699 GPRESSURE: 2780800 138.085 38.2321 54.6415 2.74168 324.526 57.9999 -42.9829 4.74465 236.719 PRESSAVG: 2780800 -43.6416 -2.07545 59.5433 -2.07547 -1.48644 -8.08701 59.5433 -8.08704 -15.196 GPRESSAVG: 2780800 -43.8487 -1.74366 62.0108 -1.47986 -2.29357 -9.27873 59.6232 -10.2303 -13.3478 TIMING: 2780800 CPU: 8377.64, 0.0030083/step Wall: 8377.64, 0.0030083/step, 1.85445 hours remaining, 212.066406 MB of memory in use. ENERGY: 2780800 727.1759 2045.7748 1938.3222 113.8089 -206269.7745 18037.5401 0.0000 0.0000 34311.1934 -149095.9591 299.6482 -183407.1525 -149000.7258 299.9284 197.3387 233.1100 557603.2766 -20.1080 -19.8300 PRESSURE: 2781000 9.98275 -26.3989 -242.56 -26.3995 -59.007 122.935 -242.561 122.935 -157.589 GPRESSURE: 2781000 22.9828 -7.44109 -228.493 -43.5213 -25.6996 131.988 -173.606 157.982 -101.217 PRESSAVG: 2781000 45.1257 -50.3454 -14.5355 -50.3455 -62.9659 -13.2499 -14.5355 -13.2499 -3.51129 GPRESSAVG: 2781000 45.0297 -50.7879 -16.9135 -48.8352 -61.8812 -12.2154 -15.4576 -13.4031 -4.75849 TIMING: 2781000 CPU: 8378.24, 0.00300253/step Wall: 8378.24, 0.00300253/step, 1.85072 hours remaining, 212.066406 MB of memory in use. ENERGY: 2781000 714.6096 2115.7818 1951.4209 109.7675 -205740.0070 17542.2940 0.0000 0.0000 34242.7425 -149063.3907 299.0504 -183306.1332 -148964.4552 298.5871 -68.8710 -34.6448 556239.8493 -7.1171 -7.2033 PRESSURE: 2781200 142.444 -153.624 15.6246 -153.625 -69.0295 -39.2351 15.6246 -39.2356 196.99 GPRESSURE: 2781200 193.802 -165.303 73.809 -83.1742 -34.2653 -0.111587 -72.9347 -6.72305 221.581 PRESSAVG: 2781200 21.3725 -49.5498 -4.99406 -49.5496 -53.8952 53.7801 -4.99404 53.7802 51.1554 GPRESSAVG: 2781200 20.8383 -49.7019 -2.77895 -50.5053 -54.2584 53.9613 -3.84453 53.7764 51.9435 TIMING: 2781200 CPU: 8378.83, 0.00294831/step Wall: 8378.83, 0.00294831/step, 1.81714 hours remaining, 212.066406 MB of memory in use. ENERGY: 2781200 744.5459 2058.2140 1940.8807 128.3346 -206063.5946 17976.2841 0.0000 0.0000 34300.4173 -148914.9180 299.5541 -183215.3353 -148819.0448 299.6674 90.1350 127.0392 554948.7840 6.2109 6.1745 PRESSURE: 2781400 133.355 -15.0298 -82.9281 -15.0316 17.9706 55.1022 -82.9291 55.101 51.6829 GPRESSURE: 2781400 156.534 -25.2058 -100.627 -23.8069 41.0655 125.957 -38.8792 -31.1087 100.308 PRESSAVG: 2781400 -3.85572 -4.98035 -62.2675 -4.98039 -22.6832 26.439 -62.2674 26.439 12.1593 GPRESSAVG: 2781400 -3.66142 -5.98008 -63.4888 -5.91567 -21.5935 25.8494 -64.6917 26.2073 10.4357 TIMING: 2781400 CPU: 8379.42, 0.00296175/step Wall: 8379.42, 0.00296175/step, 1.82526 hours remaining, 212.066406 MB of memory in use. ENERGY: 2781400 735.7271 2113.4750 1934.7742 117.5974 -205934.6586 17653.3565 0.0000 0.0000 34408.9073 -148970.8211 300.5015 -183379.7284 -148876.9473 300.7111 67.6695 99.3027 554643.8159 -4.7932 -4.9398 PRESSURE: 2781600 156.981 10.8291 -217.201 10.8308 -32.1689 157.682 -217.201 157.682 203.963 GPRESSURE: 2781600 210.191 0.393671 -170.519 30.2134 0.120998 86.669 -208.769 139.057 225.366 PRESSAVG: 2781600 51.8039 7.64455 -19.3777 7.6446 -11.8562 -29.5966 -19.3778 -29.5966 -0.824193 GPRESSAVG: 2781600 52.309 7.72353 -18.4799 8.71916 -13.5223 -29.4171 -17.4494 -28.9768 -0.19971 TIMING: 2781600 CPU: 8380.02, 0.00297225/step Wall: 8380.02, 0.00297225/step, 1.83157 hours remaining, 212.066406 MB of memory in use. ENERGY: 2781600 769.6991 2060.0745 1943.3892 107.3121 -206298.2937 17887.3731 0.0000 0.0000 34580.9737 -148949.4720 302.0042 -183530.4457 -148857.7195 301.1400 109.5919 145.2260 554285.4708 13.0412 12.8623 PRESSURE: 2781800 442.142 48.5107 -22.163 48.511 40.8952 -77.2129 -22.1629 -77.2134 145.975 GPRESSURE: 2781800 364.899 39.4181 -40.2707 -28.9726 83.3582 -55.5473 73.6063 -44.4658 279.673 PRESSAVG: 2781800 21.9176 -7.3282 17.2313 -7.32816 -46.0362 21.1567 17.2313 21.1568 20.019 GPRESSAVG: 2781800 21.026 -6.29122 14.8739 -9.37523 -45.7444 20.7179 16.3058 21.553 21.1436 TIMING: 2781800 CPU: 8380.61, 0.00296453/step Wall: 8380.61, 0.00296453/step, 1.82664 hours remaining, 212.066406 MB of memory in use. ENERGY: 2781800 779.9625 2075.6070 1960.3423 111.3533 -206312.9249 18014.5504 0.0000 0.0000 34476.7758 -148894.3335 301.0943 -183371.1094 -148807.1742 300.5715 209.6708 242.6435 554385.3784 -1.3665 -1.1916 PRESSURE: 2782000 38.0242 27.4525 -127.186 27.4523 80.0347 16.8843 -127.186 16.885 -29.2824 GPRESSURE: 2782000 78.1503 18.161 -160.392 -4.53007 124.653 32.1264 -114.659 18.3821 -23.7679 PRESSAVG: 2782000 5.72678 -77.5834 -9.19267 -77.5833 13.0007 20.0052 -9.19273 20.0053 55.4214 GPRESSAVG: 2782000 7.25857 -78.427 -6.87783 -75.621 12.6621 18.5494 -9.81728 21.717 54.0483 TIMING: 2782000 CPU: 8381.21, 0.00299538/step Wall: 8381.21, 0.00299538/step, 1.84549 hours remaining, 212.066406 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: 2782000 790.7662 2064.2569 1935.8988 105.9648 -205913.7935 17754.3943 0.0000 0.0000 34379.0415 -148883.4709 300.2407 -183262.5125 -148791.7322 300.4977 29.5922 59.6785 557124.5964 24.7163 24.6563 PRESSURE: 2782200 67.5927 7.21502 -105.239 7.21611 0.616861 -111.793 -105.239 -111.793 11.4805 GPRESSURE: 2782200 74.5633 50.6296 -142.424 -19.3413 25.6799 -121.692 -85.7514 -62.2795 59.5951 PRESSAVG: 2782200 -43.2434 -39.7544 -28.9646 -39.7543 24.4576 -8.01925 -28.9646 -8.01927 -26.4876 GPRESSAVG: 2782200 -44.572 -40.0134 -29.8508 -38.547 24.3783 -6.76192 -27.6839 -6.25587 -25.3174 TIMING: 2782200 CPU: 8381.82, 0.00302598/step Wall: 8381.82, 0.00302598/step, 1.86417 hours remaining, 212.066406 MB of memory in use. ENERGY: 2782200 714.3478 2070.3668 1963.8735 127.4683 -205616.4349 17621.1897 0.0000 0.0000 34276.0826 -148843.1061 299.3416 -183119.1888 -148750.1542 299.6885 26.5633 53.2794 559025.3948 -15.0911 -15.1704 PRESSURE: 2782400 -15.4243 -169.443 -29.4951 -169.444 240.429 -103.758 -29.4951 -103.759 -92.959 GPRESSURE: 2782400 20.0682 -116.583 6.0235 -177.185 281.836 14.1746 -64.2409 -137.691 -77.3683 PRESSAVG: 2782400 6.8317 -27.1151 -33.8976 -27.1151 13.2617 -4.18365 -33.8976 -4.18355 -4.90798 GPRESSAVG: 2782400 6.89265 -26.0587 -32.1527 -28.0522 14.3504 -3.9069 -34.1245 -7.58727 -5.34935 TIMING: 2782400 CPU: 8382.42, 0.00300405/step Wall: 8382.42, 0.00300405/step, 1.8505 hours remaining, 212.066406 MB of memory in use. ENERGY: 2782400 696.5660 2048.3100 1948.7559 110.8525 -205638.6327 17566.6291 0.0000 0.0000 34374.8137 -148892.7055 300.2038 -183267.5192 -148803.7373 300.0629 44.0153 74.8453 558541.4657 5.0618 5.2979 PRESSURE: 2782600 317.872 -23.1144 -44.7639 -23.1146 317.768 229.664 -44.7628 229.662 130.768 GPRESSURE: 2782600 329.025 92.7737 56.8351 -8.30011 361.097 157.091 -65.3376 160.516 189.317 PRESSAVG: 2782600 -24.107 -30.3204 -0.179005 -30.3203 59.1128 41.2929 -0.178977 41.2929 -10.4049 GPRESSAVG: 2782600 -23.9763 -31.6404 -0.975202 -29.2829 57.7652 38.6344 -0.631537 41.8932 -9.63838 TIMING: 2782600 CPU: 8383.02, 0.00300839/step Wall: 8383.02, 0.00300839/step, 1.853 hours remaining, 212.066406 MB of memory in use. ENERGY: 2782600 734.3754 2083.3135 1938.3336 118.8763 -206739.9090 18314.9531 0.0000 0.0000 34603.6609 -148946.3962 302.2024 -183550.0571 -148848.6165 300.3048 255.4695 293.1462 556888.1184 8.2003 8.0502 PRESSURE: 2782800 -61.8257 109.889 -36.9014 109.89 113.793 225.753 -36.9033 225.754 -22.4033 GPRESSURE: 2782800 -20.2459 41.3111 45.8113 65.2919 179.109 217.787 -92.3756 194.646 -24.8221 PRESSAVG: 2782800 -5.0634 -50.9895 42.1876 -50.9895 -8.09857 -11.077 42.1876 -11.0771 28.8581 GPRESSAVG: 2782800 -3.72742 -51.7062 42.1985 -52.06 -8.22673 -9.61668 41.9475 -12.019 27.1682 TIMING: 2782800 CPU: 8383.62, 0.00300344/step Wall: 8383.62, 0.00300344/step, 1.84978 hours remaining, 212.066406 MB of memory in use. ENERGY: 2782800 740.7142 2082.4094 1988.4325 105.8770 -206018.3793 17711.3586 0.0000 0.0000 34333.6107 -149055.9769 299.8440 -183389.5875 -148965.7598 299.7528 9.8546 44.6805 556122.7159 5.2320 5.0713 PRESSURE: 2783000 -240.854 75.8031 -16.6882 75.8027 -223.177 89.5529 -16.6883 89.5545 -411.763 GPRESSURE: 2783000 -216.866 59.9683 -1.80216 156.062 -174.477 86.8596 -9.31912 37.2338 -370.788 PRESSAVG: 2783000 46.1156 8.79578 7.96102 8.79588 -57.7053 -44.6002 7.96106 -44.6002 -31.7066 GPRESSAVG: 2783000 43.7814 9.81899 9.9658 9.4003 -57.1751 -43.8123 7.10853 -44.9365 -29.6657 TIMING: 2783000 CPU: 8384.22, 0.00301762/step Wall: 8384.22, 0.00301762/step, 1.85835 hours remaining, 212.066406 MB of memory in use. ENERGY: 2783000 760.8298 2098.4413 1958.9587 124.5980 -205501.2332 17232.2885 0.0000 0.0000 34198.9433 -149127.1736 298.6679 -183326.1169 -149031.5206 300.3570 -291.9314 -254.0438 557729.4514 -14.4321 -14.3531 PRESSURE: 2783200 -16.0842 64.5011 50.2768 64.5003 -142.493 -113.024 50.2775 -113.023 452.166 GPRESSURE: 2783200 8.75537 59.6253 103.294 30.1607 -131.771 -81.0964 29.9969 -91.5885 505.485 PRESSAVG: 2783200 7.88908 18.5354 17.0873 18.5353 -13.4599 -12.7174 17.0873 -12.7174 10.7879 GPRESSAVG: 2783200 9.38966 16.8628 17.5097 18.6975 -14.3044 -13.8619 16.3249 -11.9647 10.154 TIMING: 2783200 CPU: 8384.82, 0.00298457/step Wall: 8384.82, 0.00298457/step, 1.83783 hours remaining, 212.066406 MB of memory in use. ENERGY: 2783200 751.4099 2123.3657 1976.9817 110.6196 -206298.9839 17802.2124 0.0000 0.0000 34492.3556 -149042.0390 301.2303 -183534.3945 -148943.4557 299.9496 97.8628 127.4899 556122.0671 1.7390 1.7464 PRESSURE: 2783400 182.658 -38.7594 203.383 -38.7588 55.8018 -91.8232 203.383 -91.8214 16.8608 GPRESSURE: 2783400 183.478 57.1615 157.626 -98.4095 95.0298 -86.1447 204.979 -162.674 84.6239 PRESSAVG: 2783400 20.4393 -0.283162 19.1974 -0.283179 16.1483 20.3884 19.1974 20.3884 8.60467 GPRESSAVG: 2783400 18.9947 2.79743 15.931 -2.25515 17.5809 21.0598 21.2919 20.5323 8.46476 TIMING: 2783400 CPU: 8385.41, 0.00295781/step Wall: 8385.41, 0.00295781/step, 1.82119 hours remaining, 212.066406 MB of memory in use. ENERGY: 2783400 735.9303 2063.7896 1960.5513 129.2349 -206055.9157 17857.3796 0.0000 0.0000 34524.0382 -148784.9918 301.5070 -183309.0299 -148690.4773 301.2441 85.1069 121.0439 557002.4528 15.0641 15.0135 PRESSURE: 2783600 -198.233 -67.065 113.824 -67.064 -229.402 42.6141 113.824 42.6142 211.088 GPRESSURE: 2783600 -140.813 7.05736 161.888 25.5731 -237.131 57.4201 36.9253 1.51747 247.856 PRESSAVG: 2783600 1.03412 55.7474 -35.8691 55.7475 -43.0295 35.018 -35.8692 35.0181 57.572 GPRESSAVG: 2783600 2.12448 53.6061 -33.706 57.1554 -43.8533 35.4253 -36.2702 33.3863 57.2586 TIMING: 2783600 CPU: 8386.01, 0.00300877/step Wall: 8386.01, 0.00300877/step, 1.8524 hours remaining, 212.066406 MB of memory in use. ENERGY: 2783600 761.5758 2110.2065 1937.7594 132.0794 -205725.5619 17521.8854 0.0000 0.0000 34357.4409 -148904.6145 300.0521 -183262.0554 -148808.2956 300.3167 -72.1824 -43.3627 558258.7612 5.1922 5.1766 PRESSURE: 2783800 -365.291 -124.973 -21.8985 -124.974 -70.6147 -92.6972 -21.8976 -92.6955 -341.086 GPRESSURE: 2783800 -316.096 -176.436 -73.8591 -135.117 -9.2676 -85.4825 -85.8748 -23.1776 -358.918 PRESSAVG: 2783800 -2.6051 -16.6437 24.0223 -16.6438 28.9763 24.3659 24.0223 24.3659 31.5445 GPRESSAVG: 2783800 -3.33449 -17.0831 24.7776 -14.9274 29.6977 23.819 22.868 24.5317 31.6473 TIMING: 2783800 CPU: 8386.62, 0.0030192/step Wall: 8386.62, 0.0030192/step, 1.85865 hours remaining, 212.066406 MB of memory in use. ENERGY: 2783800 805.4631 2071.3491 1947.2474 115.8192 -205478.9255 17338.0767 0.0000 0.0000 34266.4007 -148934.5694 299.2570 -183200.9700 -148833.3184 300.5111 -258.9971 -228.0938 558500.6518 19.3052 19.3368 PRESSURE: 2784000 -59.1017 -211.608 -14.5624 -211.607 15.7668 -33.7195 -14.5626 -33.719 -173.184 GPRESSURE: 2784000 -50.6992 -237.567 -20.2176 -98.9533 91.3515 -35.7615 0.8716 -81.3165 -159.987 PRESSAVG: 2784000 -31.1223 -24.0104 -19.7975 -24.0104 36.0163 -5.72704 -19.7976 -5.72717 22.5593 GPRESSAVG: 2784000 -29.9156 -21.2631 -22.8891 -28.4316 34.7354 -4.06063 -17.7599 -7.69964 23.2426 TIMING: 2784000 CPU: 8387.21, 0.00298167/step Wall: 8387.21, 0.00298167/step, 1.83538 hours remaining, 212.066406 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: 2784000 723.9004 2143.9168 1972.3399 111.1389 -205871.7292 17567.0727 0.0000 0.0000 34376.8470 -148976.5134 300.2216 -183353.3605 -148874.0154 300.3206 -72.1729 -39.7781 555201.4527 9.1511 9.3541 PRESSURE: 2784200 69.5105 -101.075 -81.6372 -101.075 212.384 -49.9243 -81.6381 -49.923 -90.6681 GPRESSURE: 2784200 140.252 -105.328 -95.4468 -82.1859 237.235 -60.2778 -20.4642 -8.3004 -97.7244 PRESSAVG: 2784200 -47.5987 -7.93162 33.6385 -7.93158 61.7206 -23.5679 33.6384 -23.5676 42.1175 GPRESSAVG: 2784200 -47.9522 -9.96101 35.8764 -6.17087 62.3899 -23.4439 34.7631 -22.6044 42.2857 TIMING: 2784200 CPU: 8387.8, 0.00295215/step Wall: 8387.8, 0.00295215/step, 1.81705 hours remaining, 212.066406 MB of memory in use. ENERGY: 2784200 737.9851 2100.4955 1943.6774 127.3594 -206287.9380 17727.7380 0.0000 0.0000 34588.5210 -149062.1616 302.0702 -183650.6826 -148973.2078 300.7262 63.7421 93.2539 554645.7597 18.7465 18.9078 LDB: ============= START OF LOAD BALANCING ============== 8391.32 LDB: ============== END OF LOAD BALANCING =============== 8391.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8391.32 LDB: ============= START OF LOAD BALANCING ============== 8391.62 LDB: Largest compute 4772 load 0.025351 is 21.5% of average load 0.118044 LDB: Average compute 0.001727 is 1.5% of average load 0.118044 LDB: TIME 8391.63 LOAD: AVG 0.118044 MAX 0.207667 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.43 MB LDB: TIME 8391.63 LOAD: AVG 0.118044 MAX 0.207667 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: TIME 8391.63 LOAD: AVG 0.118044 MAX 0.207667 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8391.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8391.63 PRESSURE: 2784400 156.17 -33.5912 -110.468 -33.5915 295.244 -39.3508 -110.468 -39.3519 253.266 GPRESSURE: 2784400 157.283 61.3043 -174.312 -133.732 348.743 -19.1548 -52.207 -82.7517 307.817 PRESSAVG: 2784400 7.50832 -29.4147 -27.6914 -29.4146 -36.0656 7.01895 -27.6914 7.01891 31.1242 GPRESSAVG: 2784400 7.57986 -28.038 -28.4922 -29.4178 -35.1374 6.48514 -29.64 5.95307 30.527 TIMING: 2784400 CPU: 8388.41, 0.00305617/step Wall: 8388.41, 0.00305617/step, 1.8809 hours remaining, 210.160156 MB of memory in use. ENERGY: 2784400 752.6248 2071.8502 1937.6489 114.7087 -206413.3133 17969.3866 0.0000 0.0000 34532.6683 -149034.4257 301.5824 -183567.0940 -148932.8542 300.3245 234.8935 271.2810 556466.4903 0.8556 0.9898 PRESSURE: 2784600 -209.233 -33.4543 -10.1625 -33.4554 -203.035 -36.3607 -10.1608 -36.3598 -118.878 GPRESSURE: 2784600 -167.953 -62.1242 -18.7853 7.67117 -176.866 -59.5031 17.7201 -80.3902 -71.56 PRESSAVG: 2784600 14.6406 4.41956 -18.8954 4.41948 13.4656 -36.1559 -18.8954 -36.1557 -48.0524 GPRESSAVG: 2784600 14.942 3.21015 -20.3127 5.47525 12.2587 -36.7498 -17.7113 -35.2975 -47.4112 TIMING: 2784600 CPU: 8389.02, 0.00302705/step Wall: 8389.02, 0.00302705/step, 1.86282 hours remaining, 210.160156 MB of memory in use. ENERGY: 2784600 752.0899 2097.1926 1948.3362 113.3797 -205772.8689 17364.2446 0.0000 0.0000 34355.5922 -149142.0336 300.0359 -183497.6258 -149051.9186 299.6514 -177.0484 -138.7929 556410.8221 -6.6487 -6.7368 PRESSURE: 2784800 -238.413 4.92 51.2838 4.92069 -365.043 51.3276 51.2844 51.3287 -237.123 GPRESSURE: 2784800 -141.907 -34.4052 61.7592 -9.00932 -350.078 28.9498 62.7249 99.3781 -242.065 PRESSAVG: 2784800 -7.63472 21.1744 -37.9215 21.1744 -20.2703 1.73397 -37.9216 1.73394 -12.6435 GPRESSAVG: 2784800 -7.50986 22.6403 -38.0495 19.8311 -21.1366 1.56972 -37.4271 2.42426 -12.4921 TIMING: 2784800 CPU: 8389.63, 0.00304047/step Wall: 8389.63, 0.00304047/step, 1.87091 hours remaining, 210.171875 MB of memory in use. ENERGY: 2784800 772.5055 2057.0235 1953.2165 107.7298 -205694.7513 17412.7267 0.0000 0.0000 34215.1619 -149176.3874 298.8095 -183391.5493 -149082.5075 300.1327 -280.1932 -244.6836 557566.5454 -13.5162 -13.7129 PRESSURE: 2785000 -45.3698 29.4 63.6781 29.4004 8.82319 -6.04992 63.6784 -6.05146 -55.2868 GPRESSURE: 2785000 -38.3746 -70.3905 105.886 19.2004 49.5418 92.6797 12.8345 -21.9307 -6.19232 PRESSAVG: 2785000 19.6869 17.146 -0.29358 17.1459 -55.5797 20.8664 -0.293647 20.8663 57.338 GPRESSAVG: 2785000 19.4818 16.2992 1.45762 19.0319 -53.4701 21.1116 -1.46867 21.2062 55.1103 TIMING: 2785000 CPU: 8390.23, 0.00302198/step Wall: 8390.23, 0.00302198/step, 1.85936 hours remaining, 210.171875 MB of memory in use. ENERGY: 2785000 751.3581 2088.4700 1948.2477 124.2168 -205951.8956 17770.1684 0.0000 0.0000 34193.4141 -149076.0206 298.6196 -183269.4347 -148982.2063 300.1381 -30.6111 1.6583 557564.0682 7.1484 7.0406 PRESSURE: 2785200 26.8739 74.4367 31.0638 74.4383 -160.145 80.8945 31.0642 80.8944 197.486 GPRESSURE: 2785200 51.0209 88.8399 63.1658 79.8288 -117.421 131.759 64.5638 27.9731 209.88 PRESSAVG: 2785200 -2.75587 -25.812 32.3154 -25.8121 9.75932 15.8723 32.3154 15.8723 -41.764 GPRESSAVG: 2785200 -3.55852 -25.3733 32.261 -26.8397 9.248 16.6788 29.3325 16.2466 -40.6372 TIMING: 2785200 CPU: 8390.83, 0.00298441/step Wall: 8390.83, 0.00298441/step, 1.83607 hours remaining, 210.171875 MB of memory in use. ENERGY: 2785200 750.9243 2145.8072 1945.3373 121.6309 -206274.1395 17900.4079 0.0000 0.0000 34321.3537 -149088.6782 299.7369 -183410.0319 -148994.5425 299.9014 21.4047 47.8268 557703.3617 -11.5868 -11.6493 PRESSURE: 2785400 272.904 15.5542 23.744 15.5548 -184.187 -219.421 23.7447 -219.42 -6.18031 GPRESSURE: 2785400 244.106 -42.702 -0.854929 110.27 -110.45 -189.565 62.9707 -221.893 45.592 PRESSAVG: 2785400 25.7948 38.975 39.8124 38.975 -10.4132 -11.9248 39.8125 -11.9249 8.05328 GPRESSAVG: 2785400 25.0642 37.2497 39.9068 40.0305 -10.0989 -11.9043 42.2428 -13.0718 8.51945 TIMING: 2785400 CPU: 8391.43, 0.00302629/step Wall: 8391.43, 0.00302629/step, 1.86167 hours remaining, 210.171875 MB of memory in use. ENERGY: 2785400 797.9198 2084.6517 1962.1035 117.6311 -206430.8024 18014.2967 0.0000 0.0000 34642.3889 -148811.8107 302.5406 -183454.1996 -148711.8820 299.7127 27.5121 59.7491 558008.7296 7.8116 7.8283 PRESSURE: 2785600 -252.919 137.303 -43.8018 137.303 -109.5 38.4363 -43.8014 38.4355 -170.776 GPRESSURE: 2785600 -167.853 157.764 -1.33369 203.001 -89.3238 49.8855 14.7238 25.5889 -174.473 PRESSAVG: 2785600 5.32447 25.5387 35.8968 25.5388 -42.9906 -11.3733 35.8968 -11.3734 -3.8224 GPRESSAVG: 2785600 7.06198 27.6355 35.0339 23.243 -44.4461 -12.0474 36.4226 -10.6618 -3.76648 TIMING: 2785600 CPU: 8392.04, 0.00301401/step Wall: 8392.04, 0.00301401/step, 1.85395 hours remaining, 210.171875 MB of memory in use. ENERGY: 2785600 828.1058 2069.7315 1944.3050 107.8585 -205923.9245 17643.3878 0.0000 0.0000 34569.6577 -148760.8783 301.9054 -183330.5360 -148664.9347 300.4729 -177.7316 -143.8832 559041.9532 -13.8295 -13.7169 PRESSURE: 2785800 80.4712 1.49312 94.7486 1.49244 -54.836 22.9666 94.7491 22.965 27.7951 GPRESSURE: 2785800 105.507 -39.6468 85.8953 60.9926 -14.0248 -27.6817 114.776 76.4829 56.2197 PRESSAVG: 2785800 -6.95784 23.1545 -34.6235 23.1544 -15.7189 -9.95893 -34.6234 -9.95891 31.5204 GPRESSAVG: 2785800 -7.2332 23.2592 -34.8257 24.4251 -15.814 -7.85426 -34.2761 -11.2215 32.0518 TIMING: 2785800 CPU: 8392.64, 0.00299132/step Wall: 8392.64, 0.00299132/step, 1.83983 hours remaining, 210.171875 MB of memory in use. ENERGY: 2785800 749.5047 2075.8676 1950.0416 106.7335 -205802.2985 17865.4035 0.0000 0.0000 34317.8214 -148736.9261 299.7061 -183054.7476 -148640.5896 300.8003 17.8101 49.2339 558961.9499 2.9479 3.0015 PRESSURE: 2786000 -237.079 -121.935 -195.407 -121.934 406.464 -65.1742 -195.407 -65.1738 64.4882 GPRESSURE: 2786000 -139.689 0.839735 -231.732 -143.514 361.474 -36.1387 -193.727 -66.3677 102.746 PRESSAVG: 2786000 4.14055 41.6757 -13.1532 41.6757 -8.94989 15.3646 -13.1532 15.3645 37.244 GPRESSAVG: 2786000 3.57189 41.2945 -13.2895 40.6842 -7.81996 11.4498 -13.7372 16.5601 36.6873 TIMING: 2786000 CPU: 8393.24, 0.00299617/step Wall: 8393.24, 0.00299617/step, 1.84265 hours remaining, 210.171875 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: 2786000 751.7833 2112.2412 1961.5294 103.3798 -205990.6817 17882.6832 0.0000 0.0000 34425.3958 -148753.6690 300.6455 -183179.0648 -148657.9743 300.0863 77.9578 108.1773 559053.6776 10.8116 10.8131 PRESSURE: 2786200 -95.4815 202.784 -9.6922 202.784 -41.4848 -83.3352 -9.69208 -83.3359 -619.127 GPRESSURE: 2786200 -73.7915 187.203 -24.1885 220.2 -33.6074 -54.0597 -28.7415 -118.383 -545.33 PRESSAVG: 2786200 -9.85985 53.8792 22.0092 53.8792 49.3008 -43.2388 22.0092 -43.2388 -5.82512 GPRESSAVG: 2786200 -9.47665 50.8336 21.7862 56.2405 49.0786 -41.8307 24.6107 -43.5687 -5.89474 TIMING: 2786200 CPU: 8393.83, 0.00297392/step Wall: 8393.83, 0.00297392/step, 1.82879 hours remaining, 210.171875 MB of memory in use. ENERGY: 2786200 755.8314 2134.1852 1948.0529 105.5557 -205318.9509 17483.5001 0.0000 0.0000 34212.4590 -148679.3666 298.7859 -182891.8257 -148585.8870 300.4582 -252.0309 -217.5763 561784.3634 11.2053 11.2357 PRESSURE: 2786400 -244.58 215.775 127.069 215.776 -117.763 29.4916 127.069 29.4911 109.187 GPRESSURE: 2786400 -206.99 100.35 83.9762 210.393 -53.9518 38.4088 105.184 -23.0373 102.077 PRESSAVG: 2786400 -29.5958 36.2801 15.435 36.2801 48.6608 23.4091 15.435 23.4092 -43.3915 GPRESSAVG: 2786400 -31.2281 37.937 16.999 33.4237 49.0129 22.569 12.2024 24.3244 -42.5578 TIMING: 2786400 CPU: 8394.43, 0.00298398/step Wall: 8394.43, 0.00298398/step, 1.83482 hours remaining, 210.171875 MB of memory in use. ENERGY: 2786400 741.7607 2163.1221 1981.5159 120.1372 -205176.7403 17383.5587 0.0000 0.0000 34252.1790 -148534.4668 299.1328 -182786.6457 -148438.6727 300.1024 -84.3855 -52.9548 558940.8290 -8.1088 -8.2577 PRESSURE: 2786600 86.2575 -59.0169 84.0641 -59.0165 226.991 -32.646 84.0644 -32.6456 110.182 GPRESSURE: 2786600 241.069 -1.98295 160.747 -102.904 147.504 -37.7845 -47.2514 -20.2443 132.65 PRESSAVG: 2786600 2.55727 1.32756 36.7918 1.32754 10.519 11.2282 36.7918 11.2283 28.5754 GPRESSAVG: 2786600 4.10546 3.26507 37.8323 2.62768 10.6554 12.7012 37.3139 9.32457 27.4912 TIMING: 2786600 CPU: 8395.02, 0.00297328/step Wall: 8395.02, 0.00297328/step, 1.82807 hours remaining, 210.171875 MB of memory in use. ENERGY: 2786600 741.6308 2088.7953 1957.3346 101.2522 -206037.8898 18020.4599 0.0000 0.0000 34543.0473 -148585.3697 301.6730 -183128.4170 -148487.2823 301.1138 141.1435 173.7411 558018.0273 13.8839 14.0840 PRESSURE: 2786800 -38.919 -29.5455 144.804 -29.5475 -225.37 191.654 144.804 191.654 109.993 GPRESSURE: 2786800 30.2065 -102.336 168.585 18.4527 -175.953 206.084 66.0465 185.288 73.6804 PRESSAVG: 2786800 -24.4955 42.3693 27.3497 42.3693 16.582 17.3898 27.3496 17.3899 -14.4991 GPRESSAVG: 2786800 -24.9962 38.6289 26.5191 44.4361 16.119 14.9113 26.6248 18.4679 -13.5642 TIMING: 2786800 CPU: 8395.62, 0.0029988/step Wall: 8395.62, 0.0029988/step, 1.8436 hours remaining, 210.171875 MB of memory in use. ENERGY: 2786800 764.1187 2113.4801 1942.7856 105.4817 -206012.8941 17966.0317 0.0000 0.0000 34453.3222 -148667.6740 300.8894 -183120.9962 -148571.7591 301.2323 -51.4318 -24.0222 558943.6384 -7.4709 -7.4805 PRESSURE: 2787000 -145.846 23.3906 -21.912 23.3901 251.46 76.4463 -21.9117 76.4487 -141.908 GPRESSURE: 2787000 -87.9185 -59.9499 1.23688 -26.1337 267.702 84.6914 -26.9957 118.44 -126.722 PRESSAVG: 2787000 5.48233 8.64787 -20.4975 8.64782 11.4217 -18.7887 -20.4975 -18.7886 -16.2612 GPRESSAVG: 2787000 5.54858 11.2656 -20.4986 7.89822 12.8837 -17.6432 -19.353 -18.8135 -17.9556 TIMING: 2787000 CPU: 8396.22, 0.00299881/step Wall: 8396.22, 0.00299881/step, 1.84344 hours remaining, 210.171875 MB of memory in use. ENERGY: 2787000 742.2925 2123.1641 1966.5840 116.1825 -205951.8476 17921.8480 0.0000 0.0000 34302.7699 -148779.0066 299.5746 -183081.7765 -148674.2434 301.3148 -12.0979 17.6872 559418.2007 0.2143 0.1589 PRESSURE: 2787200 58.0432 -69.1029 -17.3255 -69.1018 155.828 168.142 -17.3246 168.143 149.619 GPRESSURE: 2787200 52.7043 -14.6324 -22.2745 -107.153 231.446 117.727 -79.2269 206.369 185.822 PRESSAVG: 2787200 -44.1952 -50.6995 2.40186 -50.6996 13.9047 -15.3767 2.40181 -15.3766 14.0526 GPRESSAVG: 2787200 -43.5757 -51.9497 0.807776 -50.3233 12.993 -15.1569 2.00014 -14.8393 14.1534 TIMING: 2787200 CPU: 8396.83, 0.00302154/step Wall: 8396.83, 0.00302154/step, 1.85724 hours remaining, 210.171875 MB of memory in use. ENERGY: 2787200 730.6101 2165.2944 1967.7457 119.9117 -206169.0102 18130.3811 0.0000 0.0000 34153.2529 -148901.8144 298.2689 -183055.0672 -148803.6573 300.1045 121.1632 156.6572 557245.3460 -5.4126 -5.4764 PRESSURE: 2787400 -167.296 -131.713 -13.3755 -131.713 19.3035 89.8808 -13.3764 89.8786 -198.246 GPRESSURE: 2787400 -175.445 -91.028 36.0144 -227.844 29.1535 75.6505 41.3045 77.0434 -112.748 PRESSAVG: 2787400 0.20137 3.37564 -39.2304 3.37565 14.2994 59.4997 -39.2304 59.4997 -13.3722 GPRESSAVG: 2787400 -0.833069 4.58718 -37.1588 3.602 14.5468 60.5112 -39.7993 59.2282 -12.1294 TIMING: 2787400 CPU: 8397.43, 0.0030087/step Wall: 8397.43, 0.0030087/step, 1.84918 hours remaining, 210.171875 MB of memory in use. ENERGY: 2787400 748.1888 2126.2743 1933.7551 119.1530 -206155.1414 17780.7357 0.0000 0.0000 34454.9146 -148992.1199 300.9033 -183447.0345 -148895.7158 300.6130 -115.4130 -86.3463 557883.1110 0.3762 0.5281 PRESSURE: 2787600 99.2512 -2.45427 -104.298 -2.45409 -163.926 19.3097 -104.299 19.3107 -76.076 GPRESSURE: 2787600 79.9 -81.1664 -160.721 -47.6077 -112.958 3.83228 -98.2305 42.536 -14.8921 PRESSAVG: 2787600 -16.6598 -20.0603 -49.7718 -20.0603 -31.7906 -44.0876 -49.7717 -44.0876 63.1977 GPRESSAVG: 2787600 -17.1911 -23.9371 -50.902 -19.4706 -31.8897 -42.649 -48.4137 -45.7788 63.4623 TIMING: 2787600 CPU: 8398.02, 0.00297862/step Wall: 8398.02, 0.00297862/step, 1.83053 hours remaining, 210.171875 MB of memory in use. ENERGY: 2787600 745.6321 2124.6334 1976.6680 102.0988 -205873.4876 17584.9976 0.0000 0.0000 34363.9677 -148975.4901 300.1091 -183339.4578 -148875.3578 300.5635 -46.9169 -15.9834 557806.4709 4.9158 4.7938 PRESSURE: 2787800 115.937 -106.546 124.265 -106.548 104.091 78.37 124.264 78.3694 152.397 GPRESSURE: 2787800 93.5584 -93.314 111.345 -94.3095 184.352 -45.5676 131.542 108.201 188.791 PRESSAVG: 2787800 29.277 -26.3273 22.4332 -26.3273 -22.3402 -14.4091 22.4332 -14.4092 10.3928 GPRESSAVG: 2787800 29.0057 -23.777 24.2757 -27.797 -22.0633 -15.6004 21.4752 -15.6018 10.6363 TIMING: 2787800 CPU: 8398.62, 0.00298276/step Wall: 8398.62, 0.00298276/step, 1.83291 hours remaining, 210.171875 MB of memory in use. ENERGY: 2787800 735.7390 2032.1237 1930.1183 107.9914 -206259.1616 17880.7567 0.0000 0.0000 34442.1356 -149130.2970 300.7917 -183572.4325 -149023.0709 299.9690 124.1419 155.5671 556915.6845 5.7765 5.8596 PRESSURE: 2788000 -92.1381 -14.2512 -20.3655 -14.252 176.83 96.3667 -20.3656 96.3658 10.9569 GPRESSURE: 2788000 -47.7362 -23.5027 -56.1348 -38.2647 165.958 174.668 13.3807 29.9507 87.3966 PRESSAVG: 2788000 -65.5917 -6.2923 -19.251 -6.29224 23.8223 29.553 -19.2511 29.553 41.4947 GPRESSAVG: 2788000 -64.6816 -6.19917 -18.7774 -7.17403 23.1284 30.7285 -19.8705 29.1764 41.1924 TIMING: 2788000 CPU: 8399.22, 0.00298166/step Wall: 8399.22, 0.00298166/step, 1.83207 hours remaining, 210.171875 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: 2788000 736.7675 2067.4296 1956.4548 105.9433 -205842.3917 17598.7090 0.0000 0.0000 34361.2639 -149015.8235 300.0855 -183377.0875 -148920.2652 300.0212 31.8830 68.5395 556885.0108 -0.0916 -0.1202 PRESSURE: 2788200 73.2163 42.2427 31.5183 42.2427 -210.446 -41.6957 31.5196 -41.694 -115.966 GPRESSURE: 2788200 73.1784 -14.486 -54.5165 13.9625 -124.847 -2.94412 83.6179 -34.0326 -93.6449 PRESSAVG: 2788200 -15.567 -33.6619 13.5204 -33.6618 -42.8682 -3.159 13.5203 -3.15904 86.2897 GPRESSAVG: 2788200 -15.1161 -32.6533 10.7139 -31.4193 -43.2304 -5.77993 16.6723 1.00197 86.286 TIMING: 2788200 CPU: 8399.81, 0.00297659/step Wall: 8399.81, 0.00297659/step, 1.82878 hours remaining, 210.171875 MB of memory in use. ENERGY: 2788200 738.4170 2092.4584 1942.1512 108.0115 -206090.0195 17808.4082 0.0000 0.0000 34396.4266 -149004.1467 300.3925 -183400.5732 -148898.3430 300.0142 -84.3986 -48.4379 558060.4138 9.2849 9.3132 LDB: ============= START OF LOAD BALANCING ============== 8403.33 LDB: ============== END OF LOAD BALANCING =============== 8403.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8403.33 LDB: ============= START OF LOAD BALANCING ============== 8403.63 LDB: Largest compute 4772 load 0.025568 is 21.7% of average load 0.118067 LDB: Average compute 0.001731 is 1.5% of average load 0.118067 LDB: TIME 8403.64 LOAD: AVG 0.118067 MAX 0.206021 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.621 MB LDB: TIME 8403.64 LOAD: AVG 0.118067 MAX 0.206021 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.656 MB LDB: TIME 8403.64 LOAD: AVG 0.118067 MAX 0.206021 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.656 MB LDB: ============== END OF LOAD BALANCING =============== 8403.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8403.64 PRESSURE: 2788400 -136.596 33.3288 -10.1435 33.3287 -177.489 30.5662 -10.1438 30.5658 -100.836 GPRESSURE: 2788400 -149.227 78.98 84.7584 -23.9087 -56.4206 84.3499 -56.7444 20.7484 -114.097 PRESSAVG: 2788400 20.7476 -18.9114 5.88322 -18.9114 -46.6661 15.9797 5.88317 15.9797 29.6278 GPRESSAVG: 2788400 19.2688 -19.8248 5.11169 -18.9472 -46.1431 18.2774 5.41539 12.9946 30.1777 TIMING: 2788400 CPU: 8400.43, 0.00307781/step Wall: 8400.43, 0.00307781/step, 1.8908 hours remaining, 208.488281 MB of memory in use. ENERGY: 2788400 722.5147 2106.6418 1930.5766 108.4134 -205778.1397 17593.8285 0.0000 0.0000 34486.0245 -148830.1402 301.1750 -183316.1647 -148735.6375 299.8569 -138.3070 -106.5814 558503.0955 1.2364 1.1011 PRESSURE: 2788600 197.269 -122.162 30.7662 -122.161 75.1239 75.9081 30.7662 75.9085 -56.932 GPRESSURE: 2788600 238.953 -122.882 -50.6563 -78.2927 76.4316 3.87056 79.8915 120.718 3.01254 PRESSAVG: 2788600 9.40745 -24.459 -5.55704 -24.459 -73.9066 73.5739 -5.55709 73.5738 46.9271 GPRESSAVG: 2788600 10.5882 -24.9343 -4.7481 -25.664 -74.1479 72.3843 -6.13298 76.4016 46.6148 TIMING: 2788600 CPU: 8401.03, 0.0029981/step Wall: 8401.03, 0.0029981/step, 1.84167 hours remaining, 208.488281 MB of memory in use. ENERGY: 2788600 717.3301 2095.7676 1964.0080 117.0970 -205935.8671 17759.0328 0.0000 0.0000 34326.5377 -148956.0939 299.7822 -183282.6316 -148864.3425 300.0437 71.8204 106.1324 558098.5854 -5.8574 -5.6483 PRESSURE: 2788800 -259.272 -98.7381 -47.0209 -98.7376 -284.109 19.8696 -47.021 19.8689 -75.1171 GPRESSURE: 2788800 -221.352 -63.2613 3.71148 -198.755 -242.966 62.7699 -2.52992 6.76561 -64.9998 PRESSAVG: 2788800 -18.119 9.85303 13.8995 9.85312 -6.65808 -11.0524 13.8995 -11.0524 67.3641 GPRESSAVG: 2788800 -18.3745 11.0295 14.5871 10.0626 -5.82252 -11.7864 13.7726 -13.0339 66.4032 TIMING: 2788800 CPU: 8401.63, 0.00301507/step Wall: 8401.63, 0.00301507/step, 1.85192 hours remaining, 208.691406 MB of memory in use. ENERGY: 2788800 747.1133 2072.2921 1968.5936 113.2606 -205672.3951 17529.1985 0.0000 0.0000 34140.6636 -149101.2734 298.1589 -183241.9370 -149001.8752 299.7263 -206.1659 -176.4393 558701.3569 14.1957 14.0687 PRESSURE: 2789000 -154.837 -80.7772 -22.5577 -80.7772 38.9724 -11.7265 -22.5577 -11.7259 44.4269 GPRESSURE: 2789000 -119.645 -91.5415 -33.486 22.4638 62.8738 -35.6041 -9.44462 -5.33491 87.698 PRESSAVG: 2789000 -59.1214 -11.0398 50.5723 -11.0398 23.0776 -12.3592 50.5723 -12.3591 70.3488 GPRESSAVG: 2789000 -59.787 -11.0052 51.1566 -10.5372 22.9363 -11.3943 51.8525 -12.8177 70.8643 TIMING: 2789000 CPU: 8402.23, 0.00300889/step Wall: 8402.23, 0.00300889/step, 1.84796 hours remaining, 208.691406 MB of memory in use. ENERGY: 2789000 762.0595 2030.5887 1978.9099 98.7496 -205969.5585 17673.3461 0.0000 0.0000 34270.6665 -149155.2381 299.2943 -183425.9046 -149060.9554 299.6187 -23.8126 10.3089 557364.4616 11.4350 11.3379 PRESSURE: 2789200 -365.354 -104.375 126.811 -104.375 137.806 -71.2288 126.811 -71.2265 -174.572 GPRESSURE: 2789200 -264.357 -97.1601 31.8401 -195.461 124.273 -128.667 178.672 51.0447 -166.982 PRESSAVG: 2789200 -73.3374 -107.248 26.0798 -107.248 41.4294 24.9807 26.0799 24.9807 65.4944 GPRESSAVG: 2789200 -72.3178 -105.574 26.8671 -109.65 41.3229 24.7013 24.2823 26.4999 64.6557 TIMING: 2789200 CPU: 8402.83, 0.00299327/step Wall: 8402.83, 0.00299327/step, 1.8382 hours remaining, 208.691406 MB of memory in use. ENERGY: 2789200 743.5267 2065.9475 1999.4297 111.1982 -205845.7623 17470.7314 0.0000 0.0000 34167.4642 -149287.4646 298.3930 -183454.9288 -149195.7889 299.3959 -134.0400 -102.3553 557763.9076 11.1955 11.2203 PRESSURE: 2789400 19.2978 -94.5159 84.7521 -94.5154 -27.1528 61.0685 84.7518 61.0717 -0.652247 GPRESSURE: 2789400 114.861 -136.803 17.0415 -40.4773 7.19078 54.7497 50.4053 140.691 -19.5215 PRESSAVG: 2789400 -48.7082 18.4026 33.7567 18.4026 -12.7762 -25.2189 33.7567 -25.2189 85.9397 GPRESSAVG: 2789400 -48.7409 18.7035 31.9221 19.8474 -13.1566 -25.3718 33.0519 -27.227 85.9376 TIMING: 2789400 CPU: 8403.43, 0.00298903/step Wall: 8403.43, 0.00298903/step, 1.83543 hours remaining, 208.691406 MB of memory in use. ENERGY: 2789400 727.1924 2082.7218 1952.3498 114.4916 -206234.4348 17929.6048 0.0000 0.0000 34342.3034 -149085.7709 299.9199 -183428.0743 -148983.8711 299.3605 -2.8358 34.1766 558703.0090 8.1518 8.0134 PRESSURE: 2789600 -254.151 27.292 136.066 27.2944 -60.1515 62.0495 136.066 62.0506 -198.984 GPRESSURE: 2789600 -237.132 129.242 175.979 -33.0249 -21.068 68.7248 81.2287 24.1733 -154.451 PRESSAVG: 2789600 -13.6546 6.75255 45.5734 6.75257 17.2231 -4.71352 45.5735 -4.71359 19.0195 GPRESSAVG: 2789600 -13.619 5.52334 46.913 7.92202 17.0133 -4.08677 45.5264 -3.42843 20.0157 TIMING: 2789600 CPU: 8404.03, 0.00299087/step Wall: 8404.03, 0.00299087/step, 1.8364 hours remaining, 208.691406 MB of memory in use. ENERGY: 2789600 779.7924 2007.4962 1964.3945 112.5042 -205805.3471 17657.2824 0.0000 0.0000 34229.1335 -149054.7439 298.9315 -183283.8774 -148952.1862 299.2771 -171.0956 -137.5503 558700.9474 7.5293 7.8033 PRESSURE: 2789800 30.7812 90.7347 -1.48371 90.7338 -163.152 14.6185 -1.48481 14.6196 -123.906 GPRESSURE: 2789800 11.7789 119.492 31.2748 93.6032 -149.837 131.143 -31.6599 6.75518 -23.1909 PRESSAVG: 2789800 44.811 -4.63202 15.7119 -4.63203 -61.6132 47.7253 15.7118 47.7253 -2.45691 GPRESSAVG: 2789800 44.2521 -4.81531 15.177 -3.45319 -61.4245 48.46 18.0116 47.3459 -2.25998 TIMING: 2789800 CPU: 8404.62, 0.0029656/step Wall: 8404.62, 0.0029656/step, 1.82072 hours remaining, 208.691406 MB of memory in use. ENERGY: 2789800 747.8198 2111.8651 1943.4269 109.2123 -205841.8786 17820.3464 0.0000 0.0000 34153.2872 -148955.9210 298.2692 -183109.2082 -148868.0621 298.7807 -85.4255 -53.7498 558786.5186 -6.4197 -6.4775 PRESSURE: 2790000 -203.68 6.19321 34.6094 6.19277 164.446 95.1745 34.6095 95.1752 -80.5141 GPRESSURE: 2790000 -97.6337 13.8827 -32.4623 -52.7515 171.423 116.579 -17.8915 82.1971 -78.385 PRESSAVG: 2790000 -18.2429 9.41015 4.81478 9.41017 38.0544 23.9207 4.81484 23.9207 -20.8932 GPRESSAVG: 2790000 -18.6703 8.22699 2.81813 7.28837 38.6581 20.3331 5.00607 25.7758 -21.2351 TIMING: 2790000 CPU: 8405.22, 0.00298854/step Wall: 8405.22, 0.00298854/step, 1.83463 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: 2790000 757.2185 2105.6446 1939.1691 128.7851 -206017.8300 17818.2149 0.0000 0.0000 34296.8786 -148971.9191 299.5232 -183268.7978 -148875.0886 300.1599 -39.9161 -1.5318 558676.6032 -0.3606 -0.4158 PRESSURE: 2790200 -155.257 -0.117239 -30.0661 -0.116279 137.411 61.002 -30.0664 61.0022 243.202 GPRESSURE: 2790200 -113.595 -4.08425 18.9853 15.6381 153.389 84.0727 -89.4232 119.354 277.024 PRESSAVG: 2790200 -7.60961 -21.3784 3.2601 -21.3783 -9.1592 12.2067 3.26006 12.2066 30.3443 GPRESSAVG: 2790200 -6.94803 -23.4623 4.80442 -18.6961 -9.67106 15.0131 1.72468 9.03397 30.2021 TIMING: 2790200 CPU: 8405.81, 0.00298136/step Wall: 8405.81, 0.00298136/step, 1.83006 hours remaining, 208.691406 MB of memory in use. ENERGY: 2790200 759.7780 2085.3333 1966.1788 108.4636 -206189.2621 17906.0942 0.0000 0.0000 34334.1140 -149029.3003 299.8484 -183363.4143 -148930.2860 299.8267 75.1188 105.6061 556799.6975 4.5252 4.5277 PRESSURE: 2790400 -120.614 156.469 4.12654 156.468 121.757 -97.3925 4.12775 -97.3909 236.07 GPRESSURE: 2790400 -92.4493 165.087 54.394 136.013 156.712 -48.6401 -32.597 -78.6433 276.172 PRESSAVG: 2790400 -33.877 6.72534 -26.4484 6.72532 20.2396 3.7331 -26.4484 3.73304 40.7363 GPRESSAVG: 2790400 -33.1284 9.94996 -27.553 5.20406 18.4851 4.93457 -26.18 5.90756 40.9318 TIMING: 2790400 CPU: 8406.41, 0.00297374/step Wall: 8406.41, 0.00297374/step, 1.82521 hours remaining, 208.691406 MB of memory in use. ENERGY: 2790400 766.7435 2068.9551 1954.5819 130.4022 -206120.9034 17991.8950 0.0000 0.0000 34284.3854 -148923.9403 299.4141 -183208.3257 -148824.2119 300.3307 79.0711 113.4782 557173.9182 9.0330 8.7628 PRESSURE: 2790600 -90.7517 -94.4001 17.2401 -94.3986 -268.741 -160.842 17.2399 -160.842 -120.837 GPRESSURE: 2790600 -88.2488 -35.6691 70.3357 -101.598 -199.795 -137.384 -21.7819 -159.663 -81.3184 PRESSAVG: 2790600 -7.05199 -26.3855 -21.5909 -26.3854 -22.6071 28.4061 -21.5909 28.4061 20.2095 GPRESSAVG: 2790600 -7.32638 -27.2495 -20.6311 -26.9589 -21.8837 26.8421 -21.3379 27.7773 19.3685 TIMING: 2790600 CPU: 8407, 0.00295812/step Wall: 8407, 0.00295812/step, 1.81546 hours remaining, 208.691406 MB of memory in use. ENERGY: 2790600 754.3832 2057.5690 1964.8804 109.7292 -205698.7800 17342.5001 0.0000 0.0000 34632.7413 -148836.9769 302.4563 -183469.7182 -148741.7161 300.0533 -160.1100 -123.1208 557802.7313 -3.1499 -3.2806 PRESSURE: 2790800 -197.863 80.4187 -21.1745 80.4189 -138.205 -63.963 -21.174 -63.9641 90.7425 GPRESSURE: 2790800 -120.741 140.565 -43.0751 114.613 -136.89 -80.0059 75.3441 -39.8269 105.812 PRESSAVG: 2790800 18.6044 24.0844 -5.54723 24.0844 -88.3796 -11.8519 -5.54727 -11.8518 62.3124 GPRESSAVG: 2790800 17.6462 26.1259 -4.32791 25.5039 -88.7127 -10.1246 -6.40669 -12.5018 62.9724 TIMING: 2790800 CPU: 8407.6, 0.0029925/step Wall: 8407.6, 0.0029925/step, 1.8364 hours remaining, 208.691406 MB of memory in use. ENERGY: 2790800 737.4510 2079.2800 1908.2170 120.5024 -205485.1963 17556.3360 0.0000 0.0000 34240.4384 -148842.9714 299.0303 -183083.4098 -148754.0745 300.6141 -81.7752 -50.6062 558123.8750 -2.4876 -2.6980 PRESSURE: 2791000 -102.945 89.8812 48.066 89.8806 -250.741 -105.25 48.0664 -105.25 12.0518 GPRESSURE: 2791000 -123.516 16.6168 37.1474 121.522 -177.744 -141.305 -21.8832 -153.515 65.5904 PRESSAVG: 2791000 -6.52585 45.9056 -21.6817 45.9056 45.2936 5.122 -21.6818 5.12197 -32.2178 GPRESSAVG: 2791000 -8.21655 43.7072 -22.2536 47.099 46.4656 2.60285 -23.1771 7.11853 -31.9981 TIMING: 2791000 CPU: 8408.2, 0.0030148/step Wall: 8408.2, 0.0030148/step, 1.84992 hours remaining, 208.691406 MB of memory in use. ENERGY: 2791000 728.7762 2060.3126 1941.8825 113.3358 -205962.1112 17585.3345 0.0000 0.0000 34577.8061 -148954.6634 301.9766 -183532.4695 -148859.1757 301.4775 -113.8780 -78.5565 557431.4515 2.1833 2.0836 PRESSURE: 2791200 -303.001 -93.8885 -55.9968 -93.8898 -73.937 97.8816 -55.9968 97.8808 11.9765 GPRESSURE: 2791200 -255.193 -76.8692 -3.65304 -23.6628 -25.0478 75.5723 -46.6864 157.094 15.4338 PRESSAVG: 2791200 42.9687 -30.6667 25.006 -30.6667 -37.3463 -27.7584 25.006 -27.7583 -35.7418 GPRESSAVG: 2791200 43.5208 -28.5216 25.0051 -34.18 -38.4205 -29.0994 26.2494 -27.6642 -35.7479 TIMING: 2791200 CPU: 8408.8, 0.0030151/step Wall: 8408.8, 0.0030151/step, 1.84993 hours remaining, 208.691406 MB of memory in use. ENERGY: 2791200 749.0227 2054.8327 1940.4293 119.4162 -205684.4369 17452.4844 0.0000 0.0000 34280.6122 -149087.6394 299.3811 -183368.2516 -148988.7278 300.2754 -121.6538 -88.2691 557290.9030 -10.0398 -10.2159 PRESSURE: 2791400 303.174 129.484 156.619 129.483 66.8901 87.042 156.619 87.0425 -34.3763 GPRESSURE: 2791400 255.757 78.6801 158.876 177.029 138.749 98.8313 168.194 72.8972 50.123 PRESSAVG: 2791400 41.8477 59.636 25.7704 59.636 7.35246 -32.8241 25.7704 -32.8241 -81.0899 GPRESSAVG: 2791400 41.7735 59.4641 24.8771 62.0718 8.3149 -29.659 26.6371 -34.4551 -81.8465 TIMING: 2791400 CPU: 8409.41, 0.0030174/step Wall: 8409.41, 0.0030174/step, 1.85118 hours remaining, 208.691406 MB of memory in use. ENERGY: 2791400 764.6459 2079.2468 1928.8655 102.0345 -206198.7408 17973.1573 0.0000 0.0000 34221.1279 -149129.6630 298.8616 -183350.7908 -149043.4781 299.2845 111.8961 148.2096 558776.0585 -10.6299 -10.5860 PRESSURE: 2791600 37.6674 113.707 90.0834 113.706 195.562 23.4762 90.0838 23.4773 67.8926 GPRESSURE: 2791600 84.7318 75.0252 57.5847 136.69 123.096 -7.19477 159.116 -24.4939 174.929 PRESSAVG: 2791600 -22.0443 -22.6847 21.724 -22.6847 59.7105 -41.1938 21.724 -41.1937 -24.8281 GPRESSAVG: 2791600 -22.4299 -21.685 20.2093 -24.3234 58.3112 -42.9815 21.9277 -40.1332 -23.7618 TIMING: 2791600 CPU: 8410.01, 0.00299681/step Wall: 8410.01, 0.00299681/step, 1.83838 hours remaining, 208.691406 MB of memory in use. ENERGY: 2791600 721.2357 2048.4381 1943.1069 102.4526 -206275.1395 18060.8310 0.0000 0.0000 34270.0755 -149128.9997 299.2891 -183399.0752 -149037.8137 299.1846 100.3741 127.5856 558055.9500 4.2794 4.0399 PRESSURE: 2791800 -298.246 190.236 173.504 190.235 40.4592 -188.57 173.503 -188.571 279.764 GPRESSURE: 2791800 -253.729 209.11 116.267 179.448 81.3203 -167.047 148.304 -235.996 291.55 PRESSAVG: 2791800 -88.3762 -18.9957 18.8741 -18.9957 52.6816 7.03562 18.8741 7.03561 47.3026 GPRESSAVG: 2791800 -87.5699 -21.2697 17.8225 -17.2432 52.4976 8.68031 20.1973 5.9511 46.882 TIMING: 2791800 CPU: 8410.6, 0.00298305/step Wall: 8410.6, 0.00298305/step, 1.82977 hours remaining, 208.691406 MB of memory in use. ENERGY: 2791800 725.9873 2037.1101 1956.0070 104.7845 -205858.7789 17751.8715 0.0000 0.0000 34076.8737 -149206.1448 297.6018 -183283.0184 -149110.8259 299.2195 7.3256 39.7137 558737.1870 3.8693 3.9366 PRESSURE: 2792000 36.9035 30.997 30.9402 30.9983 96.9178 -101.528 30.9393 -101.527 -118.845 GPRESSURE: 2792000 57.8776 67.0914 102.484 -1.94219 154.647 -113.474 92.2988 -109.083 -90.2581 PRESSAVG: 2792000 -84.5137 21.243 -22.0546 21.2431 100.053 -37.6127 -22.0546 -37.6127 -18.573 GPRESSAVG: 2792000 -84.8794 23.3216 -19.8343 19.9548 100.739 -39.5416 -23.0474 -37.5032 -19.1188 TIMING: 2792000 CPU: 8411.2, 0.00299834/step Wall: 8411.2, 0.00299834/step, 1.83898 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: 2792000 714.1426 2032.9169 1967.8758 103.2470 -206315.8450 17961.1623 0.0000 0.0000 34217.0956 -149319.4047 298.8264 -183536.5003 -149219.1261 298.8768 4.9920 40.7556 559257.9268 -1.0114 -1.0865 PRESSURE: 2792200 -140.133 183.019 112.773 183.019 -141.079 4.63106 112.774 4.62974 -238.261 GPRESSURE: 2792200 -100.734 150.021 66.1035 117.131 -147.763 -86.2121 113.207 59.0929 -177.775 PRESSAVG: 2792200 4.42992 -18.0309 11.8657 -18.0309 84.1025 -1.46361 11.8656 -1.46362 -51.664 GPRESSAVG: 2792200 4.55533 -20.0789 11.5696 -17.712 83.6033 0.234834 11.1334 -0.400435 -51.7302 TIMING: 2792200 CPU: 8411.8, 0.00300819/step Wall: 8411.8, 0.00300819/step, 1.84486 hours remaining, 208.691406 MB of memory in use. ENERGY: 2792200 773.2900 2049.6320 1925.8978 111.9788 -206361.6319 17870.8976 0.0000 0.0000 34307.2996 -149322.6362 299.6142 -183629.9358 -149226.6319 299.4969 -173.1574 -142.0909 560015.0069 12.2895 12.1428 LDB: ============= START OF LOAD BALANCING ============== 8415.32 LDB: ============== END OF LOAD BALANCING =============== 8415.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8415.32 LDB: ============= START OF LOAD BALANCING ============== 8415.62 LDB: Largest compute 4772 load 0.026658 is 22.6% of average load 0.118017 LDB: Average compute 0.001723 is 1.5% of average load 0.118017 LDB: TIME 8415.63 LOAD: AVG 0.118017 MAX 0.208615 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 8415.63 LOAD: AVG 0.118017 MAX 0.208615 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.402 MB LDB: TIME 8415.63 LOAD: AVG 0.118017 MAX 0.208615 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.402 MB LDB: ============== END OF LOAD BALANCING =============== 8415.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8415.63 PRESSURE: 2792400 -82.7228 134.78 -100.547 134.779 -46.9942 21.6433 -100.547 21.6436 299.719 GPRESSURE: 2792400 -32.1054 102.823 -81.4834 113.713 9.02254 28.6472 -139.39 -42.1273 293.397 PRESSAVG: 2792400 -4.44619 -9.81724 8.51039 -9.81716 -62.6447 -4.62923 8.51043 -4.62917 41.5333 GPRESSAVG: 2792400 -3.67547 -9.09108 9.78763 -7.84785 -62.6603 -5.65425 8.73988 -5.34111 40.8159 TIMING: 2792400 CPU: 8412.42, 0.0030589/step Wall: 8412.42, 0.00305889/step, 1.87578 hours remaining, 208.160156 MB of memory in use. ENERGY: 2792400 711.9387 2050.4516 1962.6861 119.5176 -206360.2397 17812.3571 0.0000 0.0000 34233.9262 -149469.3624 298.9734 -183703.2886 -149374.4315 298.8212 56.6673 90.1046 556956.3994 -8.5192 -8.5066 PRESSURE: 2792600 356.588 -36.7135 -49.0861 -36.7144 -118.535 63.3806 -49.0858 63.3796 -77.1784 GPRESSURE: 2792600 385.927 -66.9105 -115.417 70.57 -55.2173 83.0513 27.5856 60.2113 -73.6637 PRESSAVG: 2792600 -19.7432 39.7789 -10.5592 39.7789 30.5344 -35.602 -10.5593 -35.602 5.74425 GPRESSAVG: 2792600 -21.3375 41.6547 -11.1155 38.2382 31.2536 -35.4557 -10.2485 -35.9753 5.92534 TIMING: 2792600 CPU: 8413.02, 0.00300606/step Wall: 8413.02, 0.00300606/step, 1.84321 hours remaining, 208.160156 MB of memory in use. ENERGY: 2792600 702.0363 2083.6683 1940.1950 107.0920 -206165.9095 17730.4473 0.0000 0.0000 34022.8851 -149579.5856 297.1303 -183602.4707 -149490.4219 298.6033 53.6246 85.6821 559401.7614 5.5118 5.2805 PRESSURE: 2792800 -213.08 135.916 -45.4987 135.915 -16.625 -79.5363 -45.4984 -79.5349 167.712 GPRESSURE: 2792800 -179.671 135.338 -23.7045 199.895 30.3942 -119.258 -55.9761 -4.97242 193.991 PRESSAVG: 2792800 34.8997 34.8756 -10.6897 34.8756 -28.1705 35.2249 -10.6897 35.225 9.17101 GPRESSAVG: 2792800 35.5684 34.4381 -9.27897 33.8867 -29.0428 35.6539 -7.91134 34.0306 9.41112 TIMING: 2792800 CPU: 8413.61, 0.00298747/step Wall: 8413.61, 0.00298747/step, 1.83165 hours remaining, 208.160156 MB of memory in use. ENERGY: 2792800 748.8742 2040.5843 1942.4243 104.2658 -206484.4630 18070.6324 0.0000 0.0000 34175.5729 -149402.1091 298.4638 -183577.6820 -149309.7979 298.8725 -20.6641 14.9047 558757.0560 5.3001 5.3122 PRESSURE: 2793000 226.198 30.4694 25.7408 30.4697 42.8714 134.17 25.7403 134.169 -148.983 GPRESSURE: 2793000 278.579 48.3703 -65.6432 47.7392 54.985 173.126 60.6618 39.9845 -112.756 PRESSAVG: 2793000 25.4499 0.903007 -18.4935 0.903205 -30.0166 -34.3119 -18.4935 -34.3118 -18.073 GPRESSAVG: 2793000 24.6931 -0.184611 -19.8567 1.8211 -29.9751 -35.96 -18.8819 -33.3334 -17.3231 TIMING: 2793000 CPU: 8414.21, 0.00297161/step Wall: 8414.21, 0.00297161/step, 1.82176 hours remaining, 208.160156 MB of memory in use. ENERGY: 2793000 747.1866 2029.2755 1940.5898 122.7093 -206499.2509 18035.6470 0.0000 0.0000 34317.2928 -149306.5500 299.7015 -183623.8428 -149211.7473 298.8882 40.0288 73.6024 557610.7337 -7.5466 -7.5350 PRESSURE: 2793200 -211.165 117.684 -14.9517 117.685 -236.925 64.43 -14.9515 64.43 -102.361 GPRESSURE: 2793200 -172.776 114.325 -69.0773 -23.476 -170.113 44.7067 78.6831 90.4336 -107.253 PRESSAVG: 2793200 47.5316 6.20501 22.9093 6.20504 -35.8327 -41.1828 22.9094 -41.1827 33.5222 GPRESSAVG: 2793200 47.8071 8.56358 23.2681 5.90113 -35.9882 -39.427 19.3732 -40.5174 32.4956 TIMING: 2793200 CPU: 8414.81, 0.00298771/step Wall: 8414.81, 0.00298771/step, 1.83147 hours remaining, 208.160156 MB of memory in use. ENERGY: 2793200 733.6518 2109.8347 1963.9897 104.1298 -206162.7640 17646.9307 0.0000 0.0000 34324.0137 -149280.2135 299.7601 -183604.2273 -149192.2130 299.0867 -183.4835 -150.0474 558367.3341 15.0737 14.7715 PRESSURE: 2793400 365.793 -132.988 174.476 -132.986 29.216 42.8243 174.478 42.826 24.878 GPRESSURE: 2793400 400.055 -180.051 208.621 -123.72 95.713 -43.9076 253.035 14.8828 25.3286 PRESSAVG: 2793400 -0.85383 -45.4386 -24.0073 -45.4385 8.57495 -36.4088 -24.0073 -36.4087 39.6555 GPRESSAVG: 2793400 0.41512 -48.6041 -23.5013 -44.6205 8.43841 -37.5635 -20.8144 -36.8023 38.6229 TIMING: 2793400 CPU: 8415.41, 0.0029961/step Wall: 8415.41, 0.0029961/step, 1.83644 hours remaining, 208.160156 MB of memory in use. ENERGY: 2793400 757.6170 2031.8887 1931.1570 115.0392 -206584.2007 18185.1726 0.0000 0.0000 34060.7705 -149502.5556 297.4612 -183563.3261 -149409.1227 298.8364 139.9624 173.6989 557161.0686 15.7922 15.8255 PRESSURE: 2793600 251.257 148.345 -44.049 148.345 -46.8933 43.6809 -44.0482 43.6799 125.264 GPRESSURE: 2793600 257.597 74.6349 -119.928 211.078 -20.8118 165.39 -18.2936 -25.5061 191.453 PRESSAVG: 2793600 -18.8607 2.7126 1.84727 2.71255 -67.5243 -26.0596 1.84725 -26.0596 85.8019 GPRESSAVG: 2793600 -20.0445 3.00662 2.19232 2.50432 -68.2263 -25.5375 -0.622691 -25.4716 86.8734 TIMING: 2793600 CPU: 8416.01, 0.0030111/step Wall: 8416.01, 0.0030111/step, 1.84547 hours remaining, 208.363281 MB of memory in use. ENERGY: 2793600 757.3857 2016.7107 1946.7716 118.8760 -206165.1001 17799.9451 0.0000 0.0000 34206.5847 -149318.8264 298.7346 -183525.4110 -149230.0146 299.3549 109.8760 142.7461 557573.3563 -0.1944 -0.4658 PRESSURE: 2793800 14.9785 155.638 -215.41 155.638 23.079 55.3581 -215.41 55.3586 -280.843 GPRESSURE: 2793800 49.2883 214.014 -232.272 110.033 64.1791 199.545 -177.454 47.8067 -256.279 PRESSAVG: 2793800 -24.5258 40.8578 20.0796 40.8578 -0.630599 -61.1358 20.0796 -61.1358 -10.4307 GPRESSAVG: 2793800 -24.4827 42.2716 19.6916 39.0092 -0.829247 -61.0742 18.5464 -60.188 -10.3108 TIMING: 2793800 CPU: 8416.6, 0.00297861/step Wall: 8416.6, 0.00297861/step, 1.82539 hours remaining, 208.363281 MB of memory in use. ENERGY: 2793800 733.3140 2081.0774 1949.2745 96.5399 -205878.1379 17769.4192 0.0000 0.0000 34137.9466 -149110.5663 298.1352 -183248.5129 -149010.0388 298.7447 -80.9286 -47.6037 559063.7931 -11.8624 -11.8743 PRESSURE: 2794000 81.8943 56.6899 -115.529 56.6892 103.152 105.133 -115.528 105.133 -236.522 GPRESSURE: 2794000 60.1161 93.8892 -103.891 -31.7431 152.567 180.832 -160.88 136.889 -167.889 PRESSAVG: 2794000 73.8847 62.8911 -7.61811 62.891 -45.4026 -0.749424 -7.61819 -0.749382 29.9376 GPRESSAVG: 2794000 73.1669 64.0799 -8.86278 62.8573 -45.4149 -0.0284833 -5.94372 -2.56027 31.0586 TIMING: 2794000 CPU: 8417.21, 0.00301233/step Wall: 8417.21, 0.00301233/step, 1.84589 hours remaining, 208.363281 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: 2794000 754.1721 2073.2356 1936.8145 105.6884 -206226.5339 17858.2475 0.0000 0.0000 34421.2706 -149077.1052 300.6095 -183498.3758 -148975.6398 299.5822 -17.1583 14.9314 557753.5280 19.4732 19.6035 PRESSURE: 2794200 -24.8724 -188.108 152.115 -188.109 9.33197 96.0132 152.115 96.0121 -203.416 GPRESSURE: 2794200 25.6993 -154.935 155.057 -145.59 24.5131 44.6647 183.513 99.2188 -164.655 PRESSAVG: 2794200 27.3842 -6.93926 12.3841 -6.93922 16.4102 30.7421 12.3842 30.7422 -50.6518 GPRESSAVG: 2794200 27.4331 -8.80743 12.939 -4.47091 16.1042 29.4638 12.3157 30.844 -50.9879 TIMING: 2794200 CPU: 8417.81, 0.00302168/step Wall: 8417.81, 0.00302168/step, 1.85145 hours remaining, 208.363281 MB of memory in use. ENERGY: 2794200 756.0674 2069.4504 1968.9303 120.8433 -205991.2356 17713.2109 0.0000 0.0000 34403.1301 -148959.6032 300.4511 -183362.7333 -148861.1381 300.0761 -72.9855 -38.1476 558393.5417 -2.2858 -2.4835 PRESSURE: 2794400 -265.19 -68.9989 -47.8261 -68.9987 -52.9184 -151.532 -47.8255 -151.533 -253.321 GPRESSURE: 2794400 -193.98 9.09785 34.84 -172.544 -13.591 -124.914 -19.3763 -195.345 -276.845 PRESSAVG: 2794400 16.3083 -35.5874 -43.3045 -35.5874 39.7086 29.365 -43.3045 29.365 -60.5705 GPRESSAVG: 2794400 16.9874 -36.633 -44.2202 -35.9041 39.6519 30.4442 -41.7799 28.062 -61.6643 TIMING: 2794400 CPU: 8418.42, 0.00302554/step Wall: 8418.42, 0.00302554/step, 1.85365 hours remaining, 208.363281 MB of memory in use. ENERGY: 2794400 723.1499 2092.3575 1926.4565 112.9579 -205760.8069 17416.1098 0.0000 0.0000 34269.1719 -149220.6034 299.2812 -183489.7753 -149116.2351 299.8913 -190.4766 -161.4720 558927.8422 -1.5179 -1.6750 PRESSURE: 2794600 4.97935 -106.437 -125.708 -106.437 126.922 -56.9787 -125.709 -56.9787 37.5605 GPRESSURE: 2794600 39.6709 -61.177 -82.2883 -137.321 169.955 -97.2327 -158.482 28.8418 51.9966 PRESSAVG: 2794600 -24.6234 -11.3022 34.7249 -11.3022 64.2001 -47.9138 34.7249 -47.9138 -19.1174 GPRESSAVG: 2794600 -24.6711 -11.9594 35.1848 -10.9986 63.8308 -47.7391 34.7337 -46.2372 -18.5344 TIMING: 2794600 CPU: 8419.02, 0.00301065/step Wall: 8419.02, 0.00301065/step, 1.84436 hours remaining, 208.363281 MB of memory in use. ENERGY: 2794600 729.3187 2063.2800 1958.9261 121.8926 -206310.3322 17898.9995 0.0000 0.0000 34513.6752 -149024.2401 301.4165 -183537.9153 -148925.5907 299.4521 56.4874 87.2077 558129.5969 6.8198 6.8751 PRESSURE: 2794800 50.3092 29.7902 -10.5892 29.7901 275.268 34.1582 -10.5888 34.1567 -57.3728 GPRESSURE: 2794800 59.1122 -122.425 -29.9183 165.427 243.171 -1.97196 -24.551 176.342 67.4607 PRESSAVG: 2794800 -24.611 -9.2445 -8.891 -9.24456 59.5525 31.9438 -8.89104 31.9437 -20.0668 GPRESSAVG: 2794800 -25.8315 -8.261 -8.3805 -10.2792 60.9915 31.3166 -8.91036 33.6891 -20.3107 TIMING: 2794800 CPU: 8419.62, 0.00299546/step Wall: 8419.62, 0.00299546/step, 1.83489 hours remaining, 208.363281 MB of memory in use. ENERGY: 2794800 722.0139 2112.7339 1951.0494 97.8240 -205934.7158 17948.3299 0.0000 0.0000 34239.1540 -148863.6106 299.0190 -183102.7646 -148760.5769 300.1660 89.4015 123.2479 558322.4368 4.9582 4.9498 PRESSURE: 2795000 30.7487 -40.0491 32.8389 -40.0495 160.416 -57.8878 32.8411 -57.8874 -94.0832 GPRESSURE: 2795000 151.39 -122.672 98.7715 -12.1639 156.192 -100.089 29.4181 -52.2863 -96.2094 PRESSAVG: 2795000 37.3592 16.8561 -70.0769 16.8561 8.1253 25.8987 -70.0769 25.8987 -60.5349 GPRESSAVG: 2795000 38.6074 16.6308 -69.1209 16.9117 7.01117 24.4494 -69.6736 24.5245 -60.8637 TIMING: 2795000 CPU: 8420.21, 0.00296737/step Wall: 8420.21, 0.00296737/step, 1.81751 hours remaining, 208.363281 MB of memory in use. ENERGY: 2795000 750.9288 2090.0236 1952.7532 115.1447 -206124.8465 17917.1930 0.0000 0.0000 34396.3105 -148902.4928 300.3915 -183298.8033 -148805.4542 299.9418 32.3604 70.4575 557926.1055 -5.0168 -5.0817 PRESSURE: 2795200 -207.813 -59.9823 -47.3349 -59.9833 -57.7116 -69.6552 -47.3337 -69.6553 -163.41 GPRESSURE: 2795200 -135.479 36.6821 -112.208 -54.8139 -95.4653 -64.0407 31.326 -90.4868 -110.474 PRESSAVG: 2795200 20.7737 -34.401 6.13706 -34.4009 1.79745 -20.2463 6.1371 -20.2464 -3.58148 GPRESSAVG: 2795200 21.5746 -33.1388 4.84991 -34.861 0.238146 -19.5903 4.38674 -20.5597 -3.52996 TIMING: 2795200 CPU: 8420.8, 0.00296068/step Wall: 8420.8, 0.00296068/step, 1.81325 hours remaining, 208.363281 MB of memory in use. ENERGY: 2795200 751.1738 2091.6937 1929.0702 109.6246 -206178.9189 17709.4578 0.0000 0.0000 34520.0469 -149067.8520 301.4722 -183587.8988 -148973.1897 299.1639 -142.9780 -113.8063 560480.1711 6.3299 6.0943 PRESSURE: 2795400 -178.064 114.99 -160.879 114.989 62.5151 -3.55019 -160.878 -3.55009 -21.7436 GPRESSURE: 2795400 -146.422 122.609 -164.253 76.3804 115.659 -18.0056 -165.166 13.889 -12.1509 PRESSAVG: 2795400 -3.08182 -13.2028 30.6419 -13.2028 -2.91394 -29.9187 30.642 -29.9187 -14.9274 GPRESSAVG: 2795400 -3.53111 -15.8238 32.1025 -12.4804 -1.71908 -30.7765 29.8623 -29.7437 -15.2572 TIMING: 2795400 CPU: 8421.4, 0.00298665/step Wall: 8421.4, 0.00298665/step, 1.82899 hours remaining, 208.363281 MB of memory in use. ENERGY: 2795400 728.7390 2089.4565 1920.3815 115.7993 -206028.2406 17863.3938 0.0000 0.0000 34154.1169 -149156.3535 298.2764 -183310.4704 -149064.4388 299.7655 -45.7641 -14.3047 558279.4445 -6.9744 -6.8358 PRESSURE: 2795600 -30.3971 66.0236 67.7634 66.0234 -106.29 -121.583 67.7629 -121.585 -108.173 GPRESSURE: 2795600 -17.8897 13.6086 70.6506 48.6928 -81.5436 -93.1512 50.3884 -110.736 -41.8593 PRESSAVG: 2795600 39.2146 -13.7789 -33.5045 -13.7789 -20.6847 41.2654 -33.5046 41.2655 34.1903 GPRESSAVG: 2795600 39.2824 -15.2834 -33.4956 -13.6327 -20.3922 40.7986 -32.0502 41.6674 34.1295 TIMING: 2795600 CPU: 8422, 0.00297991/step Wall: 8422, 0.00297991/step, 1.8247 hours remaining, 208.363281 MB of memory in use. ENERGY: 2795600 744.6272 2090.0557 1917.0643 108.9880 -205983.5718 17646.1802 0.0000 0.0000 34244.6004 -149232.0560 299.0666 -183476.6565 -149130.2086 299.1058 -81.6197 -47.0975 558391.4118 17.5734 17.6732 PRESSURE: 2795800 -51.6582 39.5378 16.0173 39.5377 -122.38 -32.0709 16.017 -32.0711 31.8553 GPRESSURE: 2795800 -50.8187 -24.4776 26.9084 128.688 -133.957 -38.5811 81.8278 -69.9793 136.453 PRESSAVG: 2795800 -10.4663 36.3956 12.895 36.3955 3.68328 -28.1818 12.8949 -28.1819 41.3178 GPRESSAVG: 2795800 -11.8337 39.5895 12.6807 35.5777 5.23739 -26.543 13.0817 -29.8584 41.4836 TIMING: 2795800 CPU: 8422.59, 0.00299209/step Wall: 8422.59, 0.00299209/step, 1.83199 hours remaining, 208.363281 MB of memory in use. ENERGY: 2795800 757.2333 2101.2213 1922.0475 112.7328 -206189.2035 17764.7352 0.0000 0.0000 34240.9246 -149290.3088 299.0345 -183531.2334 -149192.4278 298.3561 -47.3944 -16.1076 557862.6482 11.5116 11.6291 PRESSURE: 2796000 -244.018 -133.037 213.893 -133.036 -34.0354 -65.5885 213.893 -65.5895 -139.147 GPRESSURE: 2796000 -208.089 -46.0925 214.676 -192.511 25.9102 -156.198 204.696 -0.00618115 -135.922 PRESSAVG: 2796000 -13.6679 -21.9192 37.4317 -21.9192 16.787 -8.79286 37.4318 -8.79284 -32.4892 GPRESSAVG: 2796000 -12.8888 -22.2035 35.2973 -22.5885 14.7331 -8.9454 38.0743 -8.45563 -31.218 TIMING: 2796000 CPU: 8423.19, 0.0029711/step Wall: 8423.19, 0.0029711/step, 1.81897 hours remaining, 208.363281 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: 2796000 734.2028 2082.3450 1932.6648 108.9286 -205906.1102 17593.4403 0.0000 0.0000 34070.1591 -149384.3697 297.5432 -183454.5287 -149290.3001 298.5199 -139.0668 -106.0336 559009.9758 -9.7900 -9.7912 PRESSURE: 2796200 187.623 -43.1932 -288.648 -43.193 93.5935 11.8851 -288.648 11.8859 119.541 GPRESSURE: 2796200 241.198 19.2876 -328.946 -36.3528 156.529 21.4996 -237.835 17.2843 97.0105 PRESSAVG: 2796200 -39.6433 17.6581 -35.9424 17.658 11.4633 -56.4871 -35.9424 -56.4871 3.33899 GPRESSAVG: 2796200 -40.7815 17.7954 -33.9383 16.9279 13.0306 -54.7439 -36.9757 -56.674 2.34582 TIMING: 2796200 CPU: 8423.79, 0.0029931/step Wall: 8423.79, 0.0029931/step, 1.83228 hours remaining, 208.363281 MB of memory in use. ENERGY: 2796200 734.5545 2059.6211 1946.0752 120.0411 -206523.1426 18184.6115 0.0000 0.0000 34153.1493 -149325.0900 298.2679 -183478.2393 -149238.4911 298.7227 133.5857 164.9123 558747.9315 -8.2803 -8.4684 LDB: ============= START OF LOAD BALANCING ============== 8427.31 LDB: ============== END OF LOAD BALANCING =============== 8427.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8427.31 LDB: ============= START OF LOAD BALANCING ============== 8427.61 LDB: Largest compute 4801 load 0.023516 is 19.9% of average load 0.118052 LDB: Average compute 0.001722 is 1.5% of average load 0.118052 LDB: TIME 8427.61 LOAD: AVG 0.118052 MAX 0.209267 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.934 MB LDB: TIME 8427.61 LOAD: AVG 0.118052 MAX 0.209267 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.137 MB LDB: TIME 8427.61 LOAD: AVG 0.118052 MAX 0.209267 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.137 MB LDB: ============== END OF LOAD BALANCING =============== 8427.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8427.62 PRESSURE: 2796400 248.176 -54.0013 -77.7339 -54.002 108.84 123.848 -77.7346 123.849 -155.72 GPRESSURE: 2796400 260.933 -70.4443 -84.402 -66.6909 140.457 149.52 -60.4995 22.6289 -103.79 PRESSAVG: 2796400 29.3038 -5.70478 -70.36 -5.70485 -39.8124 -16.5148 -70.36 -16.5149 11.2737 GPRESSAVG: 2796400 29.1677 -5.55936 -69.0075 -4.91725 -39.9577 -17.4192 -71.8509 -15.5378 11.4407 TIMING: 2796400 CPU: 8424.4, 0.00307763/step Wall: 8424.4, 0.00307763/step, 1.88385 hours remaining, 208.843750 MB of memory in use. ENERGY: 2796400 739.5025 2083.7191 1944.2010 106.5351 -206615.3258 18032.7677 0.0000 0.0000 34295.6424 -149412.9580 299.5124 -183708.6005 -149321.7494 298.9653 67.0988 99.2001 557526.6762 0.2550 0.2169 PRESSURE: 2796600 -120.867 -133.029 -87.6116 -133.028 -158.105 119.924 -87.6128 119.923 80.7913 GPRESSURE: 2796600 -99.558 -183.214 -49.5658 -49.7537 -114.31 128.678 -117.636 111.552 113.177 PRESSAVG: 2796600 58.8497 -24.6688 -27.9333 -24.6687 0.943137 41.3909 -27.9333 41.3909 -44.4305 GPRESSAVG: 2796600 61.0888 -24.5232 -31.8128 -23.4698 -0.511318 39.5534 -24.8662 41.7912 -44.8205 TIMING: 2796600 CPU: 8425.01, 0.00301645/step Wall: 8425.01, 0.00301645/step, 1.84623 hours remaining, 209.046875 MB of memory in use. ENERGY: 2796600 754.6370 2105.5492 1975.6367 116.6463 -206146.2227 17701.4788 0.0000 0.0000 34248.0828 -149244.1918 299.0970 -183492.2746 -149139.8123 299.2222 -66.0604 -33.5639 558100.5394 5.1208 5.2523 PRESSURE: 2796800 257.632 -26.9431 319.534 -26.9433 -183.25 30.1082 319.534 30.1079 -147.179 GPRESSURE: 2796800 287.386 23.6717 192.157 10.2222 -132.718 38.7426 308.942 44.0501 -159.78 PRESSAVG: 2796800 38.3617 8.10189 -33.9346 8.10186 1.49201 27.8569 -33.9346 27.8569 -75.1323 GPRESSAVG: 2796800 38.6807 6.84669 -32.3797 7.33786 1.27558 28.3496 -35.5386 27.2002 -75.4483 TIMING: 2796800 CPU: 8425.6, 0.00298896/step Wall: 8425.6, 0.00298896/step, 1.82924 hours remaining, 209.046875 MB of memory in use. ENERGY: 2796800 783.8872 2127.2858 1942.3385 121.1782 -206453.6080 17947.0095 0.0000 0.0000 34218.0485 -149313.8602 298.8347 -183531.9087 -149219.8882 299.3844 -24.2657 -1.7042 557966.4428 -11.7595 -11.8307 PRESSURE: 2797000 22.7032 121.592 -185.511 121.592 173.424 -199.496 -185.512 -199.495 17.6421 GPRESSURE: 2797000 69.9186 111.661 -163.02 122.128 203.531 -189.086 -207.697 -187.821 42.4598 PRESSAVG: 2797000 -15.7684 36.2107 12.6353 36.2108 -12.1472 -6.25053 12.6353 -6.25043 7.24596 GPRESSAVG: 2797000 -16.6947 39.2341 11.2177 33.0867 -11.3041 -5.99204 14.666 -4.60035 7.67653 TIMING: 2797000 CPU: 8426.2, 0.00299921/step Wall: 8426.2, 0.00299921/step, 1.83535 hours remaining, 209.046875 MB of memory in use. ENERGY: 2797000 738.2928 2054.0723 1914.7547 109.9519 -206003.2832 17855.7199 0.0000 0.0000 34072.7375 -149257.7540 297.5657 -183330.4916 -149164.0272 298.4554 71.2564 105.3033 557148.2728 -6.8899 -6.7741 PRESSURE: 2797200 -234.828 -4.10156 -53.5062 -4.10337 -208.375 -3.52597 -53.5071 -3.52458 -191.133 GPRESSURE: 2797200 -197.494 -2.85469 -66.2142 -16.7637 -157.122 -56.5648 -50.3943 74.3155 -183.33 PRESSAVG: 2797200 31.2712 49.7091 9.59688 49.7091 -8.97073 34.7333 9.59681 34.7334 -22.5777 GPRESSAVG: 2797200 31.1853 46.6355 13.5134 51.8306 -8.7402 35.8367 7.95103 32.8576 -22.141 TIMING: 2797200 CPU: 8426.81, 0.00300755/step Wall: 8426.81, 0.00300755/step, 1.84029 hours remaining, 209.046875 MB of memory in use. ENERGY: 2797200 739.2940 2130.9976 1933.1486 111.9473 -206008.3384 17589.4478 0.0000 0.0000 34162.7044 -149340.7987 298.3514 -183503.5031 -149245.5630 298.4406 -211.4452 -179.3153 558448.4675 -0.0924 0.1014 PRESSURE: 2797400 -4.87823 135.955 -214.333 135.954 205.226 14.3124 -214.333 14.3122 114.776 GPRESSURE: 2797400 -9.27886 168.094 -110.729 66.3575 251.288 -28.6046 -245.59 25.9426 173.469 PRESSAVG: 2797400 73.3332 7.5821 -21.2135 7.58206 -30.9795 36.6601 -21.2134 36.6599 -46.1651 GPRESSAVG: 2797400 73.8834 9.40792 -22.7884 7.96869 -31.3753 36.0843 -21.367 37.6713 -46.7016 TIMING: 2797400 CPU: 8427.41, 0.00302103/step Wall: 8427.41, 0.00302103/step, 1.84837 hours remaining, 209.046875 MB of memory in use. ENERGY: 2797400 727.0730 2138.9999 1945.4759 112.1231 -206494.6594 18158.1022 0.0000 0.0000 34121.5868 -149291.2986 297.9923 -183412.8854 -149191.5268 298.6816 105.0412 138.4927 558589.5139 -1.2705 -1.3978 PRESSURE: 2797600 -189.405 -4.98167 82.2195 -4.98107 150.719 -45.1591 82.2173 -45.1583 -118.572 GPRESSURE: 2797600 -159.947 -1.71132 83.0212 18.6855 228.633 -25.3415 159.58 15.4624 -114.585 PRESSAVG: 2797600 -22.7783 8.66038 11.2368 8.66046 66.9444 8.26265 11.2367 8.26266 -47.9077 GPRESSAVG: 2797600 -22.7698 7.75519 10.9334 8.16726 67.5187 7.81645 12.3722 8.85822 -48.4425 TIMING: 2797600 CPU: 8428.01, 0.00301996/step Wall: 8428.01, 0.00301996/step, 1.84754 hours remaining, 209.171875 MB of memory in use. ENERGY: 2797600 740.8865 2117.6402 1923.2584 109.9366 -206223.2428 17858.1926 0.0000 0.0000 34209.5339 -149263.7947 298.7604 -183473.3286 -149171.4796 299.2816 -52.4194 -15.2997 557433.6584 -1.2472 -1.2312 PRESSURE: 2797800 -291.316 -183.931 208.72 -183.932 -134.286 -90.4369 208.72 -90.4371 -12.1292 GPRESSURE: 2797800 -261 -105.846 211.681 -241.521 -106.533 -156.13 215.299 -78.6544 29.9316 PRESSAVG: 2797800 34.6561 -10.5708 23.7564 -10.5707 -27.5121 11.9639 23.7564 11.9639 19.4157 GPRESSAVG: 2797800 34.6645 -9.20826 23.7263 -12.1568 -27.2228 11.5287 23.18 11.1962 19.1417 TIMING: 2797800 CPU: 8428.61, 0.00299228/step Wall: 8428.61, 0.00299228/step, 1.83044 hours remaining, 209.171875 MB of memory in use. ENERGY: 2797800 730.5202 2133.4814 1964.9240 113.8777 -205942.5556 17620.4541 0.0000 0.0000 34122.2185 -149257.0798 297.9978 -183379.2983 -149150.8356 299.5214 -145.9105 -112.5337 558747.7224 8.8532 8.8612 PRESSURE: 2798000 12.4081 -64.1511 -39.9184 -64.1518 -249.191 34.942 -39.9177 34.9405 -248.682 GPRESSURE: 2798000 7.30139 -98.877 20.8214 -14.7603 -219.412 17.3386 32.4396 30.566 -177.506 PRESSAVG: 2798000 13.8026 -53.2005 31.9649 -53.2006 -30.3693 -29.3969 31.965 -29.3969 0.431358 GPRESSAVG: 2798000 14.4251 -54.3144 34.2948 -53.5019 -31.0945 -29.3627 31.2585 -29.3119 0.177251 TIMING: 2798000 CPU: 8429.21, 0.00297279/step Wall: 8429.21, 0.00297279/step, 1.81835 hours remaining, 209.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2798000 747.5383 2099.7401 1952.1641 115.1814 -206165.6027 17654.1451 0.0000 0.0000 34363.2239 -149233.6100 300.1026 -183596.8338 -149134.7022 299.2156 -161.8218 -129.8720 558274.6453 -5.3785 -5.4974 PRESSURE: 2798200 90.8541 173.248 -26.3507 173.248 -217.642 -65.8679 -26.3497 -65.8674 -208.713 GPRESSURE: 2798200 89.0953 207.481 -101.568 173.851 -142.001 -55.8765 -40.7802 -38.3781 -186.334 PRESSAVG: 2798200 34.8833 5.5254 -17.6493 5.52539 6.91105 -25.7723 -17.6495 -25.7721 -4.75802 GPRESSAVG: 2798200 34.6476 6.29128 -19.5464 5.59865 7.08309 -26.7933 -16.476 -27.0006 -4.95105 TIMING: 2798200 CPU: 8429.8, 0.00296062/step Wall: 8429.8, 0.00296062/step, 1.81075 hours remaining, 209.171875 MB of memory in use. ENERGY: 2798200 718.3389 2115.1473 1945.9648 125.6424 -205898.9406 17731.8734 0.0000 0.0000 34063.5021 -149198.4716 297.4850 -183261.9737 -149104.6043 299.7477 -111.8337 -79.7464 558070.2229 12.3455 12.2599 PRESSURE: 2798400 37.0156 -150.749 42.407 -150.748 -57.8716 48.0691 42.4066 48.0688 -173.624 GPRESSURE: 2798400 79.4824 -92.3726 -6.67193 -147.967 -1.41528 40.0325 45.4172 -8.09317 -172.804 PRESSAVG: 2798400 101.08 -7.60044 3.70904 -7.60042 -53.5486 6.12261 3.70908 6.12266 -65.2957 GPRESSAVG: 2798400 99.1224 -8.51969 3.66157 -6.73413 -52.858 7.5882 1.11312 6.39557 -64.6716 TIMING: 2798400 CPU: 8430.39, 0.00297138/step Wall: 8430.39, 0.00297138/step, 1.81716 hours remaining, 209.171875 MB of memory in use. ENERGY: 2798400 753.3855 2051.1047 1945.7166 110.4424 -206181.3413 17770.4345 0.0000 0.0000 34334.1037 -149216.1540 299.8483 -183550.2577 -149121.3995 299.2016 -64.8267 -31.5789 558117.8226 -5.9215 -6.1357 PRESSURE: 2798600 -205.63 -15.4125 223.894 -15.4125 -341.608 1.62165 223.893 1.62288 -275.672 GPRESSURE: 2798600 -273.673 -53.6486 238.494 101.869 -237.864 -49.7412 133.509 52.6338 -218.748 PRESSAVG: 2798600 2.52148 -22.2875 26.1909 -22.2875 19.0582 -24.1674 26.1908 -24.1675 -18.6126 GPRESSAVG: 2798600 2.56783 -20.2532 26.5857 -22.001 19.0374 -25.8 26.8432 -23.5864 -18.9742 TIMING: 2798600 CPU: 8430.99, 0.00296636/step Wall: 8430.99, 0.00296636/step, 1.81393 hours remaining, 209.171875 MB of memory in use. ENERGY: 2798600 762.9363 2153.2384 1952.6896 106.2791 -205562.2866 17493.0199 0.0000 0.0000 34120.6465 -148973.4767 297.9841 -183094.1232 -148881.1099 299.6053 -274.3030 -243.4285 559078.0689 0.9890 0.8770 PRESSURE: 2798800 9.0513 18.581 43.5208 18.5821 -147.745 147.181 43.52 147.181 38.4732 GPRESSURE: 2798800 61.1705 149.014 2.19196 -75.3524 -95.1175 169.231 34.8878 132.23 51.7856 PRESSAVG: 2798800 32.1726 -18.4737 23.9297 -18.4737 61.1079 13.9864 23.9297 13.9864 -46.0921 GPRESSAVG: 2798800 32.8784 -18.4038 23.3681 -19.556 59.6837 15.5046 24.9474 14.8089 -45.4575 TIMING: 2798800 CPU: 8431.58, 0.00296787/step Wall: 8431.58, 0.00296787/step, 1.81469 hours remaining, 209.171875 MB of memory in use. ENERGY: 2798800 713.2256 2063.8008 1971.0468 135.7906 -206267.7331 17858.1493 0.0000 0.0000 34656.9520 -148868.7679 302.6678 -183525.7200 -148765.2215 300.3324 -33.4069 5.9462 558080.3164 15.7295 15.7015 PRESSURE: 2799000 -119.151 134.956 54.9578 134.954 40.5648 5.28735 54.9576 5.2888 -108.006 GPRESSURE: 2799000 -156.485 92.2477 14.0117 180.288 109.129 47.9518 74.3606 -22.0789 -43.4101 PRESSAVG: 2799000 -47.2224 -1.41421 -12.9365 -1.41426 -14.6493 50.1017 -12.9364 50.1017 58.8226 GPRESSAVG: 2799000 -47.8683 -3.02486 -14.712 -0.562246 -14.1984 50.874 -11.0428 48.8683 59.2712 TIMING: 2799000 CPU: 8432.17, 0.00295207/step Wall: 8432.17, 0.00295207/step, 1.80486 hours remaining, 209.171875 MB of memory in use. ENERGY: 2799000 764.6325 2073.1026 1957.3961 117.8887 -205838.2138 17820.3505 0.0000 0.0000 34216.3482 -148888.4952 298.8199 -183104.8434 -148801.2202 300.8964 -62.1975 -30.2552 560280.3659 -1.0164 -0.9318 PRESSURE: 2799200 -43.1909 -91.578 -175.459 -91.5767 -75.793 150.092 -175.46 150.092 51.839 GPRESSURE: 2799200 -26.3726 -106.956 -224.113 -52.7031 -25.8521 92.2113 -129.269 136.698 90.8728 PRESSAVG: 2799200 -70.2878 -0.631755 -46.0471 -0.631823 24.7812 63.7528 -46.0471 63.7529 47.0586 GPRESSAVG: 2799200 -69.8395 -0.885601 -45.4791 -3.20165 24.835 64.8597 -46.5665 63.2516 46.3114 TIMING: 2799200 CPU: 8432.77, 0.00298248/step Wall: 8432.77, 0.00298248/step, 1.82329 hours remaining, 209.171875 MB of memory in use. ENERGY: 2799200 756.1514 2053.8697 1928.1056 107.2706 -206056.4363 17796.4277 0.0000 0.0000 34473.2792 -148941.3323 301.0637 -183414.6114 -148838.7572 300.4984 -22.3816 12.8827 559560.1208 0.5173 0.4356 PRESSURE: 2799400 108.863 -80.709 -79.0951 -80.7109 396.94 211.321 -79.0945 211.32 231.197 GPRESSURE: 2799400 149.598 -31.1504 -83.6799 -58.1554 413.754 139.477 -86.2244 154.465 270.86 PRESSAVG: 2799400 -92.2784 -45.9239 -48.3955 -45.924 -27.2316 -0.612777 -48.3955 -0.612764 84.4336 GPRESSAVG: 2799400 -92.6881 -44.3452 -48.2093 -43.5266 -26.5134 -2.83267 -49.0523 -0.406265 84.3089 TIMING: 2799400 CPU: 8433.36, 0.00298136/step Wall: 8433.36, 0.00298136/step, 1.82244 hours remaining, 209.171875 MB of memory in use. ENERGY: 2799400 794.0928 2032.2229 1939.1125 119.1007 -206063.1109 18061.2666 0.0000 0.0000 34261.0326 -148856.2828 299.2101 -183117.3154 -148763.7279 299.4731 245.6669 278.0704 558590.0545 -11.6921 -11.6309 PRESSURE: 2799600 -129.18 -123.126 -146.445 -123.125 -287.387 -34.3674 -146.445 -34.3667 -63.5222 GPRESSURE: 2799600 -103.174 -143 -211.962 -138.353 -272.568 -14.6185 -233.85 -29.6792 -29.4442 PRESSAVG: 2799600 -47.2119 -37.916 -70.0026 -37.9159 37.7704 27.2862 -70.0026 27.2863 79.6255 GPRESSAVG: 2799600 -47.6298 -39.8886 -70.591 -37.1906 36.6039 28.9874 -70.3894 27.2817 80.5544 TIMING: 2799600 CPU: 8433.96, 0.00298684/step Wall: 8433.96, 0.00298684/step, 1.82562 hours remaining, 209.171875 MB of memory in use. ENERGY: 2799600 751.4453 2084.1153 1932.3246 122.5477 -205553.2301 17376.8365 0.0000 0.0000 34293.6932 -148992.2674 299.4954 -183285.9606 -148901.6635 299.7574 -160.0296 -135.0621 558566.5599 23.3947 23.1762 PRESSURE: 2799800 -18.043 140.298 39.3154 140.298 -64.1832 -97.2881 39.3138 -97.287 129.803 GPRESSURE: 2799800 29.9795 129.025 -10.9526 100.178 -58.0119 -136.59 113.616 -89.868 167.648 PRESSAVG: 2799800 16.2797 14.1685 42.5069 14.1685 -59.2357 -32.7151 42.5069 -32.715 23.8455 GPRESSAVG: 2799800 16.65 15.9557 43.4346 12.7446 -59.0113 -31.7298 42.2387 -35.7199 23.6205 TIMING: 2799800 CPU: 8434.56, 0.00297779/step Wall: 8434.56, 0.00297779/step, 1.81993 hours remaining, 209.171875 MB of memory in use. ENERGY: 2799800 773.2771 2062.3098 1954.3170 104.2111 -206351.9575 17993.1383 0.0000 0.0000 34553.5415 -148911.1627 301.7647 -183464.7041 -148810.8286 300.4713 15.8588 46.5385 557759.7433 -6.3702 -6.2469 PRESSURE: 2800000 -278.276 -193.72 -108.894 -193.72 -268.245 23.0611 -108.894 23.0617 220.476 GPRESSURE: 2800000 -235.786 -107.511 -118.674 -107.238 -233.286 27.641 -152.397 52.8185 237.422 PRESSAVG: 2800000 20.7197 -56.3001 30.106 -56.3001 -5.31305 -41.1012 30.106 -41.1012 15.1893 GPRESSAVG: 2800000 21.846 -58.2688 27.8997 -54.1335 -5.21221 -45.0849 30.7069 -37.84 14.0625 TIMING: 2800000 CPU: 8435.16, 0.00301401/step Wall: 8435.16, 0.00301401/step, 1.8419 hours remaining, 209.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2800000 759.5849 2027.6598 1911.7666 107.9109 -205965.4646 17851.1125 0.0000 0.0000 34411.3384 -148896.0917 300.5228 -183307.4300 -148795.2863 300.0921 -108.6818 -77.2165 559669.9645 10.1986 10.2321 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2800000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 2800000 WRITING COORDINATES TO RESTART FILE AT STEP 2800000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2800200 112.579 -91.3309 -66.5412 -91.3302 60.4 -155.513 -66.5428 -155.513 109.931 GPRESSURE: 2800200 157.005 -58.8193 -123.323 -115.5 56.3826 8.63868 -66.4272 -139.079 173.324 PRESSAVG: 2800200 -10.2586 -21.1345 -27.9855 -21.1345 -17.1204 -9.29772 -27.9856 -9.29776 32.3397 GPRESSAVG: 2800200 -10.9072 -20.8032 -24.8818 -21.2496 -16.4832 -7.06578 -29.3065 -9.38772 32.5671 TIMING: 2800200 CPU: 8435.78, 0.00309945/step Wall: 8435.78, 0.00309945/step, 1.89393 hours remaining, 209.171875 MB of memory in use. ENERGY: 2800200 717.7140 2107.8034 1925.6022 106.1411 -206331.9356 18040.6050 0.0000 0.0000 34209.5503 -149224.5196 298.7605 -183434.0699 -149131.2182 299.7257 94.3033 128.9040 558624.6184 1.6536 1.7255 LDB: ============= START OF LOAD BALANCING ============== 8439.29 LDB: ============== END OF LOAD BALANCING =============== 8439.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8439.3 LDB: ============= START OF LOAD BALANCING ============== 8439.59 LDB: Largest compute 4772 load 0.025374 is 21.5% of average load 0.118140 LDB: Average compute 0.001721 is 1.5% of average load 0.118140 LDB: TIME 8439.6 LOAD: AVG 0.11814 MAX 0.209754 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.359 MB LDB: TIME 8439.6 LOAD: AVG 0.11814 MAX 0.209754 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.359 MB LDB: TIME 8439.6 LOAD: AVG 0.11814 MAX 0.209754 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.359 MB LDB: ============== END OF LOAD BALANCING =============== 8439.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8439.6 PRESSURE: 2800400 -11.9835 45.6242 -22.4656 45.6229 -51.9426 -35.8959 -22.4654 -35.8961 64.1493 GPRESSURE: 2800400 8.08217 30.5308 -7.66316 18.5327 33.9725 -104.709 -31.6601 7.83482 42.7775 PRESSAVG: 2800400 -5.75419 22.8169 -32.323 22.8169 18.3723 58.1801 -32.323 58.1801 -0.547014 GPRESSAVG: 2800400 -4.71603 23.2807 -33.0697 21.4111 17.7522 57.3382 -33.8409 56.5777 -0.622421 TIMING: 2800400 CPU: 8436.39, 0.00303999/step Wall: 8436.39, 0.00303999/step, 1.85743 hours remaining, 209.199219 MB of memory in use. ENERGY: 2800400 737.3183 2120.4760 1918.3126 115.6255 -205763.5622 17661.1967 0.0000 0.0000 34246.8635 -148963.7695 299.0864 -183210.6330 -148877.5890 300.0748 0.0744 28.2774 557488.4086 4.0237 4.1379 PRESSURE: 2800600 -25.1355 76.3255 -60.1654 76.3245 77.3368 -133.101 -60.1665 -133.101 -115.884 GPRESSURE: 2800600 15.8667 9.60652 -134.193 136.048 74.3621 -135.444 -12.7385 -128.458 -54.1504 PRESSAVG: 2800600 -71.1119 -16.3748 -47.1304 -16.3749 0.67956 -8.04572 -47.1305 -8.04582 27.2066 GPRESSAVG: 2800600 -71.3945 -15.5263 -48.058 -16.4616 1.10069 -8.20065 -41.924 -6.98227 26.4725 TIMING: 2800600 CPU: 8436.98, 0.00299095/step Wall: 8436.98, 0.00299095/step, 1.82731 hours remaining, 209.402344 MB of memory in use. ENERGY: 2800600 754.4429 2090.0602 1936.8419 108.9659 -206261.1347 17871.4988 0.0000 0.0000 34426.4834 -149072.8416 300.6550 -183499.3251 -148974.5815 299.9199 -21.2275 12.0262 556727.5312 -14.4086 -14.6071 PRESSURE: 2800800 -222.81 -216.411 71.0567 -216.41 -75.3505 12.6602 71.0562 12.6583 -50.9287 GPRESSURE: 2800800 -198.888 -165.875 74.4059 -166.08 4.85442 78.6783 84.8718 -5.99228 -53.6543 PRESSAVG: 2800800 2.19296 -37.8559 -26.958 -37.856 30.3676 -7.92327 -26.958 -7.92326 -8.09049 GPRESSAVG: 2800800 2.46645 -38.8315 -24.6941 -37.5322 29.603 -7.92663 -29.7357 -7.41868 -7.4782 TIMING: 2800800 CPU: 8437.59, 0.00301768/step Wall: 8437.59, 0.00301768/step, 1.84347 hours remaining, 209.402344 MB of memory in use. ENERGY: 2800800 768.9817 2077.6283 1928.0159 103.6983 -205786.8427 17621.2305 0.0000 0.0000 34251.4363 -149035.8517 299.1263 -183287.2880 -148935.8632 300.5876 -116.3630 -82.5626 557976.3063 8.1567 8.1971 PRESSURE: 2801000 30.9371 -67.0188 158.278 -67.0204 104.417 -117.59 158.28 -117.589 -10.116 GPRESSURE: 2801000 83.1485 16.7076 170.142 -117.989 126.236 -126.532 154.786 -69.1155 12.0818 PRESSAVG: 2801000 -25.8603 45.0074 -43.677 45.0074 -38.5962 49.5313 -43.677 49.5312 54.4803 GPRESSAVG: 2801000 -25.7405 44.4421 -45.8083 45.45 -38.6662 49.4783 -44.0177 49.4123 54.2062 TIMING: 2801000 CPU: 8438.19, 0.00298966/step Wall: 8438.19, 0.00298966/step, 1.82618 hours remaining, 209.402344 MB of memory in use. ENERGY: 2801000 719.4137 2034.8748 1955.4430 116.3748 -206378.6890 17895.0725 0.0000 0.0000 34474.8452 -149182.6650 301.0774 -183657.5102 -149085.7555 299.9061 41.7461 73.8220 557675.2501 -3.3254 -3.4002 PRESSURE: 2801200 -15.327 60.0168 9.26521 60.016 32.7514 33.0082 9.26447 33.0087 39.9736 GPRESSURE: 2801200 33.8515 15.7002 26.229 25.6011 49.5872 54.5405 -47.1956 56.0636 69.4955 PRESSAVG: 2801200 -59.098 6.80104 -21.9697 6.80101 51.8461 30.827 -21.9697 30.827 17.13 GPRESSAVG: 2801200 -58.9402 7.06318 -20.0901 5.60387 51.8582 29.9703 -25.8488 31.8436 17.3985 TIMING: 2801200 CPU: 8438.78, 0.00296837/step Wall: 8438.78, 0.00296837/step, 1.81302 hours remaining, 209.402344 MB of memory in use. ENERGY: 2801200 784.6087 2092.0691 1926.6714 120.1324 -206358.0712 18022.6388 0.0000 0.0000 33928.5103 -149483.4406 296.3061 -183411.9509 -149387.7071 299.0785 19.1327 50.9780 558258.9624 3.2927 3.4389 PRESSURE: 2801400 -288.094 11.246 -109.2 11.2468 -335.891 -24.0943 -109.2 -24.0939 -238.148 GPRESSURE: 2801400 -252.032 75.4091 -108.588 54.836 -291.493 -36.4916 -108.873 35.5375 -222.059 PRESSAVG: 2801400 -18.977 7.84537 13.1984 7.84535 6.83066 25.6235 13.1984 25.6235 14.9984 GPRESSAVG: 2801400 -20.5461 8.10327 13.2605 9.71723 7.28647 25.7766 15.152 24.6725 16.1507 TIMING: 2801400 CPU: 8439.38, 0.00299996/step Wall: 8439.38, 0.00299996/step, 1.83214 hours remaining, 209.402344 MB of memory in use. ENERGY: 2801400 757.0982 2053.2915 1947.1934 106.6707 -206109.9689 17482.6843 0.0000 0.0000 34317.8219 -149445.2090 299.7061 -183763.0309 -149342.5459 298.9410 -287.3777 -255.1948 557914.2125 0.9507 0.9637 PRESSURE: 2801600 -204.693 54.2975 -57.1892 54.2987 -82.2004 123.024 -57.1894 123.022 -344.063 GPRESSURE: 2801600 -189.623 71.7342 -140.967 68.6653 -67.3735 49.307 -4.41352 178.396 -260.138 PRESSAVG: 2801600 -23.4834 -38.059 -8.56086 -38.059 -14.8163 -32.2212 -8.56099 -32.221 42.9573 GPRESSAVG: 2801600 -21.645 -36.8589 -8.88931 -40.4633 -15.7093 -32.7697 -8.46854 -32.9614 41.4624 TIMING: 2801600 CPU: 8439.98, 0.0030154/step Wall: 8439.98, 0.0030154/step, 1.84141 hours remaining, 209.402344 MB of memory in use. ENERGY: 2801600 756.0330 2044.2500 1916.1288 109.5665 -206048.9374 17672.8606 0.0000 0.0000 34104.9842 -149445.1143 297.8473 -183550.0985 -149355.4013 298.4579 -210.3191 -172.3783 556993.5878 1.5525 1.3694 PRESSURE: 2801800 -71.9742 52.4633 84.7424 52.463 -103.943 -2.2397 84.7409 -2.23982 -78.5559 GPRESSURE: 2801800 -27.3762 43.3661 41.5584 26.9096 -79.722 -24.7242 89.3667 -5.02386 -66.8341 PRESSAVG: 2801800 51.4767 20.2885 -9.87482 20.2884 11.365 -8.69624 -9.87485 -8.69628 -36.0829 GPRESSAVG: 2801800 51.201 20.2048 -11.6109 21.3741 11.3263 -7.45551 -7.28545 -7.02132 -36.2259 TIMING: 2801800 CPU: 8440.58, 0.00299683/step Wall: 8440.58, 0.00299683/step, 1.8299 hours remaining, 209.402344 MB of memory in use. ENERGY: 2801800 738.1381 2029.0139 1922.1929 105.6253 -205913.5438 17655.3232 0.0000 0.0000 34164.0786 -149299.1717 298.3634 -183463.2503 -149205.6523 298.9412 -84.8245 -57.9775 556110.2372 8.9196 8.7671 PRESSURE: 2802000 185.651 -54.1694 10.8015 -54.1692 -142.061 63.4851 10.8024 63.4853 -17.5912 GPRESSURE: 2802000 256.253 -64.2108 -19.419 -22.3185 -137.923 20.01 88.8254 56.6686 10.3802 PRESSAVG: 2802000 0.663682 4.85099 -8.27625 4.85106 -7.19458 15.173 -8.2762 15.1729 39.0881 GPRESSAVG: 2802000 0.798678 3.97452 -6.68671 4.67411 -7.54787 15.1883 -11.4541 15.1755 38.7682 TIMING: 2802000 CPU: 8441.18, 0.00297894/step Wall: 8441.18, 0.00297894/step, 1.81881 hours remaining, 209.808594 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: 2802000 712.9826 2024.5498 1925.1433 100.5284 -205848.7481 17611.2882 0.0000 0.0000 34247.7161 -149226.5398 299.0938 -183474.2559 -149122.2897 299.4821 8.6665 42.9031 557291.7841 10.8524 10.6730 PRESSURE: 2802200 47.6187 120.351 -26.4242 120.349 -136.557 -27.7294 -26.424 -27.7305 -66.6613 GPRESSURE: 2802200 77.4562 73.6498 82.5033 126.542 -115.667 -33.1559 -36.414 42.9099 -19.9188 PRESSAVG: 2802200 -7.24014 6.60849 -9.25838 6.60851 -39.5311 49.5772 -9.25822 49.5772 27.9315 GPRESSAVG: 2802200 -8.59523 10.185 -8.86284 4.35204 -37.6142 48.2758 -7.75377 48.7738 26.9222 TIMING: 2802200 CPU: 8441.78, 0.002993/step Wall: 8441.78, 0.002993/step, 1.82723 hours remaining, 209.808594 MB of memory in use. ENERGY: 2802200 728.8554 2024.4258 1935.8260 107.7871 -206081.2855 17696.5136 0.0000 0.0000 34356.5448 -149231.3328 300.0443 -183587.8776 -149139.3280 299.2208 -51.8666 -19.3767 558196.1468 -6.2799 -6.4291 PRESSURE: 2802400 37.6167 -106.623 157.046 -106.623 373.28 161.662 157.045 161.663 45.8455 GPRESSURE: 2802400 89.0541 -119.75 100.87 -51.9216 430.779 230.124 142.757 140.876 32.8094 PRESSAVG: 2802400 26.7516 24.8973 -82.7169 24.8973 68.2295 10.429 -82.7168 10.429 -60.3974 GPRESSAVG: 2802400 26.7985 20.5797 -85.3338 26.7111 67.2737 11.9306 -82.4946 9.30015 -59.3624 TIMING: 2802400 CPU: 8442.38, 0.00299785/step Wall: 8442.38, 0.00299785/step, 1.83002 hours remaining, 209.808594 MB of memory in use. ENERGY: 2802400 724.5020 2059.7855 1929.8656 112.9866 -205842.3099 17820.4027 0.0000 0.0000 34277.9401 -148916.8274 299.3578 -183194.7676 -148820.2285 300.2182 152.2474 184.2140 558991.5967 11.5279 11.5700 PRESSURE: 2802600 42.2769 -98.528 -67.6287 -98.5287 -5.82906 -21.245 -67.6288 -21.2445 200.447 GPRESSURE: 2802600 62.0091 -134.478 -20.1791 -70.8322 31.6432 26.0459 -51.0211 -103.105 246.67 PRESSAVG: 2802600 -31.3547 38.1603 16.2246 38.1603 56.3433 11.6474 16.2246 11.6475 -40.7222 GPRESSAVG: 2802600 -30.7794 39.17 17.7083 38.724 56.6044 9.27047 15.3416 14.7266 -41.6245 TIMING: 2802600 CPU: 8442.98, 0.00302973/step Wall: 8442.98, 0.00302973/step, 1.84932 hours remaining, 209.808594 MB of memory in use. ENERGY: 2802600 758.6743 2054.7888 1930.1055 114.6167 -206437.5390 18173.0293 0.0000 0.0000 34539.0179 -148867.3066 301.6378 -183406.3244 -148770.1383 300.2558 78.9651 113.4408 558757.3595 -5.2445 -5.2665 PRESSURE: 2802800 -108.963 11.0024 170.94 11.001 38.5325 -1.32086 170.94 -1.32258 -168.599 GPRESSURE: 2802800 -75.9437 -46.6212 140.755 -9.55352 43.1392 -25.3182 142.085 -12.6886 -102.476 PRESSAVG: 2802800 2.47637 15.1682 -4.13355 15.1682 25.8843 -27.0465 -4.13349 -27.0467 -26.6973 GPRESSAVG: 2802800 2.42272 16.9215 -2.3228 14.9142 24.7603 -26.3021 -4.04507 -28.1467 -25.9161 TIMING: 2802800 CPU: 8443.58, 0.00299787/step Wall: 8443.58, 0.00299787/step, 1.8297 hours remaining, 209.808594 MB of memory in use. ENERGY: 2802800 789.6345 2035.8468 1920.1711 115.2600 -205654.9159 17727.8823 0.0000 0.0000 34190.1314 -148875.9898 298.5909 -183066.1211 -148783.1515 300.0779 -79.6765 -45.0936 559074.9232 0.5545 0.4223 PRESSURE: 2803000 -286.192 -27.2933 -252.868 -27.2928 -125.612 -62.7989 -252.868 -62.7986 50.5207 GPRESSURE: 2803000 -273.463 16.7496 -223.414 -60.1552 -50.1599 14.1977 -284.615 -98.3343 76.5475 PRESSAVG: 2803000 0.531057 24.3012 14.4663 24.3011 -11.9351 -3.116 14.4664 -3.11589 40.7983 GPRESSAVG: 2803000 -0.0484157 22.9613 12.5431 25.2741 -10.3352 -3.08967 15.5324 -3.1132 39.8277 TIMING: 2803000 CPU: 8444.18, 0.00300518/step Wall: 8444.18, 0.00300518/step, 1.83399 hours remaining, 209.808594 MB of memory in use. ENERGY: 2803000 710.8736 2055.3054 1933.1741 105.7705 -205848.7172 17567.8136 0.0000 0.0000 34354.5668 -149121.2132 300.0270 -183475.7800 -149021.0822 299.9354 -120.4276 -82.3585 559292.2299 9.7981 9.8147 PRESSURE: 2803200 -79.3095 18.5435 168.136 18.5423 -13.7619 185.936 168.136 185.938 -17.0157 GPRESSURE: 2803200 -59.5942 -32.7455 180.441 70.1908 4.72901 137.509 228.012 250.989 49.5128 PRESSAVG: 2803200 -90.2187 -20.6062 21.3635 -20.6062 86.5942 9.28482 21.3635 9.28492 -22.8183 GPRESSAVG: 2803200 -90.6115 -20.0204 23.2913 -21.0583 85.8173 9.45532 20.9323 8.02758 -22.3523 TIMING: 2803200 CPU: 8444.78, 0.00299857/step Wall: 8444.78, 0.00299857/step, 1.8298 hours remaining, 209.808594 MB of memory in use. ENERGY: 2803200 731.5275 2018.0170 1897.7650 107.6785 -205981.7800 17840.1481 0.0000 0.0000 34448.5109 -148938.1330 300.8474 -183386.6439 -148839.7627 299.3052 -36.6957 -1.7841 558552.1220 -8.8143 -9.0488 PRESSURE: 2803400 -5.3887 111.792 121.854 111.791 -72.2184 179.924 121.853 179.925 26.5214 GPRESSURE: 2803400 30.0752 4.57022 110.939 231.466 -7.92445 140.144 158.855 150.586 17.785 PRESSAVG: 2803400 0.757529 -37.6566 56.5803 -37.6567 34.134 -6.18808 56.5804 -6.18803 -71.4863 GPRESSAVG: 2803400 1.87864 -38.6801 55.5378 -36.7534 33.1664 -7.41658 56.1916 -5.57899 -72.071 TIMING: 2803400 CPU: 8445.38, 0.002994/step Wall: 8445.38, 0.002994/step, 1.82684 hours remaining, 209.808594 MB of memory in use. ENERGY: 2803400 736.9886 2100.4449 1939.0725 107.9712 -206258.8071 17989.9176 0.0000 0.0000 34447.5071 -148936.9052 300.8386 -183384.4122 -148846.7131 300.2722 -17.0286 13.3119 559193.5947 -12.1983 -12.3420 PRESSURE: 2803600 168.724 -131.291 28.6173 -131.293 -199.694 -14.3023 28.6171 -14.3032 -129.293 GPRESSURE: 2803600 176.303 -90.5191 22.7365 -173.037 -166.439 -75.6635 50.2862 -25.6975 -75.9377 PRESSAVG: 2803600 -52.9057 20.3773 19.8219 20.3772 54.8979 13.5824 19.822 13.5824 -4.48373 GPRESSAVG: 2803600 -54.1133 21.5502 20.7451 19.313 56.2139 16.123 21.7241 14.3462 -4.17147 TIMING: 2803600 CPU: 8445.98, 0.00301285/step Wall: 8445.98, 0.00301285/step, 1.83818 hours remaining, 209.808594 MB of memory in use. ENERGY: 2803600 754.2780 2030.8245 1963.9940 114.0814 -205847.3004 17717.7886 0.0000 0.0000 34308.4063 -148957.9275 299.6238 -183266.3338 -148865.6912 299.9877 -53.4211 -22.0245 559034.4414 -0.8305 -0.6903 PRESSURE: 2803800 283.899 53.689 -21.6316 53.689 157.336 184.802 -21.6324 184.802 208.088 GPRESSURE: 2803800 282.116 -42.3046 -69.9105 65.3802 226.361 100.549 -66.0554 228.242 244.557 PRESSAVG: 2803800 24.1081 -47.1938 27.9288 -47.1938 -0.915758 22.0805 27.9288 22.0805 -51.3275 GPRESSAVG: 2803800 24.1886 -49.694 27.4243 -45.1428 -2.32934 21.1833 25.6303 21.9945 -50.247 TIMING: 2803800 CPU: 8446.59, 0.00302213/step Wall: 8446.59, 0.00302213/step, 1.84367 hours remaining, 209.808594 MB of memory in use. ENERGY: 2803800 718.8352 2131.9752 1932.9678 119.4360 -206097.0908 17920.2154 0.0000 0.0000 34303.3482 -148970.3130 299.5797 -183273.6612 -148875.2150 299.8504 216.4410 251.0113 557537.0600 -9.3784 -9.4626 PRESSURE: 2804000 -79.0903 -17.668 85.0092 -17.6674 -204.328 39.5412 85.0099 39.5405 -30.0794 GPRESSURE: 2804000 -94.8406 -84.3322 108.147 68.1838 -172.258 9.61101 45.5309 68.9795 44.7783 PRESSAVG: 2804000 -42.0637 42.5444 4.03018 42.5444 -36.4199 13.1054 4.03016 13.1055 46.0686 GPRESSAVG: 2804000 -42.6628 45.4079 5.40481 40.8537 -35.5123 12.1638 3.22487 14.2111 45.7852 TIMING: 2804000 CPU: 8447.19, 0.00301682/step Wall: 8447.19, 0.00301682/step, 1.84026 hours remaining, 209.808594 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: 2804000 757.9474 2038.5180 1929.7738 117.3644 -205798.5614 17543.3823 0.0000 0.0000 34476.7177 -148934.8578 301.0938 -183411.5755 -148841.1809 299.7098 -104.4993 -74.1068 558892.8077 -10.8050 -10.7966 PRESSURE: 2804200 -236.153 141.281 -17.1549 141.281 86.5182 6.99288 -17.156 6.99084 -42.4067 GPRESSURE: 2804200 -225.603 128.411 10.2813 57.1832 96.305 36.7617 23.7867 -15.9401 45.5187 PRESSAVG: 2804200 -51.8191 -20.5251 -48.9283 -20.5251 9.55093 -15.6544 -48.9282 -15.6543 55.4419 GPRESSAVG: 2804200 -50.8086 -21.7438 -50.9132 -20.5054 8.25413 -14.5405 -45.9574 -18.0983 55.2757 TIMING: 2804200 CPU: 8447.79, 0.00298715/step Wall: 8447.79, 0.00298715/step, 1.822 hours remaining, 209.808594 MB of memory in use. ENERGY: 2804200 778.9291 2098.0071 1922.0523 106.9374 -205931.1204 17763.2026 0.0000 0.0000 34200.6810 -149061.3108 298.6831 -183261.9918 -148963.9812 299.4886 -64.0139 -27.9263 556846.7279 4.3912 4.2404 LDB: ============= START OF LOAD BALANCING ============== 8451.3 LDB: ============== END OF LOAD BALANCING =============== 8451.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8451.31 LDB: ============= START OF LOAD BALANCING ============== 8451.61 LDB: Largest compute 4772 load 0.025816 is 21.9% of average load 0.118071 LDB: Average compute 0.001724 is 1.5% of average load 0.118071 LDB: TIME 8451.61 LOAD: AVG 0.118071 MAX 0.206223 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.941 MB LDB: TIME 8451.61 LOAD: AVG 0.118071 MAX 0.206223 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.145 MB LDB: TIME 8451.61 LOAD: AVG 0.118071 MAX 0.206223 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.145 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8451.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8451.61 PRESSURE: 2804400 273.948 52.011 18.4007 52.0114 -190.632 -8.19495 18.3992 -8.19311 181.623 GPRESSURE: 2804400 313.113 99.2719 50.3469 109.758 -137.592 -15.6117 59.6979 -55.6469 190.84 PRESSAVG: 2804400 -3.76694 26.2136 -41.7043 26.2136 -23.5935 -9.10682 -41.7043 -9.10687 70.4202 GPRESSAVG: 2804400 -4.02993 26.572 -39.8436 26.536 -22.2619 -8.15387 -43.5841 -8.64716 69.2373 TIMING: 2804400 CPU: 8448.4, 0.00304242/step Wall: 8448.4, 0.00304242/step, 1.85554 hours remaining, 210.226562 MB of memory in use. ENERGY: 2804400 750.0272 2115.3393 1900.5413 122.1329 -206026.1950 17846.0090 0.0000 0.0000 34270.7805 -149021.3648 299.2952 -183292.1453 -148923.9271 300.1582 88.3130 122.1202 556387.5848 14.3532 14.3151 PRESSURE: 2804600 231.17 -174.668 -167.583 -174.667 -130.617 77.753 -167.584 77.7514 -146.469 GPRESSURE: 2804600 256.635 -137.186 -154.984 -183.551 -81.382 101.628 -157.279 46.0424 -139.704 PRESSAVG: 2804600 12.3597 25.7655 -12.0927 25.7655 -17.2596 -5.70286 -12.0929 -5.70283 60.8612 GPRESSAVG: 2804600 11.9526 24.9853 -12.0883 27.3747 -17.6422 -7.18326 -11.9558 -5.50256 62.1035 TIMING: 2804600 CPU: 8449, 0.00301098/step Wall: 8449, 0.00301098/step, 1.8362 hours remaining, 210.226562 MB of memory in use. ENERGY: 2804600 743.8165 2095.4595 1934.0417 119.4363 -205996.7844 17765.8747 0.0000 0.0000 34247.6963 -149090.4593 299.0937 -183338.1556 -148999.2093 299.1119 -15.3053 11.8496 558103.4894 18.6538 18.8046 PRESSURE: 2804800 -94.3467 -121.675 -2.13712 -121.676 25.6737 12.9838 -2.13786 12.9833 -116.984 GPRESSURE: 2804800 -56.894 -92.5711 37.0065 -195.69 35.4515 -97.8009 -79.2945 114.34 -70.344 PRESSAVG: 2804800 32.6105 -26.3505 -27.7052 -26.3506 -40.7845 -34.5724 -27.7052 -34.5726 -23.4562 GPRESSAVG: 2804800 32.2341 -25.9263 -28.2738 -25.4146 -40.865 -35.2818 -26.7042 -31.437 -22.7179 TIMING: 2804800 CPU: 8449.6, 0.00301548/step Wall: 8449.6, 0.00301548/step, 1.83877 hours remaining, 210.226562 MB of memory in use. ENERGY: 2804800 774.8067 2073.4953 1938.3940 112.5831 -206058.3689 17812.2217 0.0000 0.0000 34219.7073 -149127.1608 298.8492 -183346.8681 -149031.5215 299.1413 -61.8857 -30.5955 558210.0165 -10.5434 -10.4496 PRESSURE: 2805000 232.351 3.63779 112.981 3.63785 12.5504 -9.80818 112.981 -9.80739 167.479 GPRESSURE: 2805000 252.451 88.8528 181.706 3.11383 13.2706 9.5157 84.8444 -62.9117 235.634 PRESSAVG: 2805000 -17.6285 14.8207 -20.4484 14.8209 -5.68457 -73.505 -20.4485 -73.5051 8.72984 GPRESSAVG: 2805000 -17.6701 15.5846 -20.2602 12.8471 -5.8386 -70.3537 -22.4727 -76.3156 8.43568 TIMING: 2805000 CPU: 8450.21, 0.0030303/step Wall: 8450.21, 0.0030303/step, 1.84764 hours remaining, 210.429688 MB of memory in use. ENERGY: 2805000 706.9634 2141.7294 1946.5279 107.7525 -206040.6281 17786.5322 0.0000 0.0000 34285.6616 -149065.4612 299.4252 -183351.1227 -148969.7167 299.4664 137.4603 167.1188 557149.8363 -4.8611 -5.0244 PRESSURE: 2805200 -43.8695 -104.202 65.2046 -104.202 160.606 -43.7835 65.2049 -43.7833 229.736 GPRESSURE: 2805200 -7.14768 -22.6939 74.7539 -91.7369 238.013 -129.521 105.321 -39.5289 209.503 PRESSAVG: 2805200 -23.9012 -6.20962 -16.9049 -6.20956 47.7075 3.74361 -16.9049 3.74339 18.4252 GPRESSAVG: 2805200 -23.1103 -7.09287 -19.129 -6.07374 46.5319 1.68017 -13.3877 4.74149 18.401 TIMING: 2805200 CPU: 8450.81, 0.00302861/step Wall: 8450.81, 0.00302861/step, 1.84644 hours remaining, 210.429688 MB of memory in use. ENERGY: 2805200 759.0547 2062.6203 1939.0361 101.9306 -206222.8484 17944.1555 0.0000 0.0000 34328.5662 -149087.4850 299.7999 -183416.0512 -148989.8513 299.7276 115.4908 146.7896 557686.2254 14.0772 13.9409 PRESSURE: 2805400 103.74 9.70342 33.2889 9.70259 143.54 139.695 33.2884 139.695 64.0085 GPRESSURE: 2805400 157.048 0.0993716 -32.7913 64.5265 141.668 85.473 95.4524 226.669 119.573 PRESSAVG: 2805400 -17.3633 17.531 2.05235 17.531 80.7899 4.01654 2.05228 4.01654 3.99972 GPRESSAVG: 2805400 -17.6468 17.6611 1.43108 19.7017 81.8563 4.73355 2.0515 2.43043 3.51382 TIMING: 2805400 CPU: 8451.43, 0.00306132/step Wall: 8451.43, 0.00306132/step, 1.86621 hours remaining, 210.429688 MB of memory in use. ENERGY: 2805400 763.6539 2123.5296 1921.0442 114.6751 -206012.8681 17935.8618 0.0000 0.0000 34160.8536 -148993.2499 298.3352 -183154.1035 -148889.4231 299.7054 103.7629 139.4297 558811.7901 22.4754 22.5744 PRESSURE: 2805600 -167.935 -33.7377 -23.3298 -33.738 74.5518 -131.715 -23.3294 -131.714 -317.921 GPRESSURE: 2805600 -100.127 -38.6634 16.6923 49.9733 27.4327 -73.8364 -53.1021 -126.975 -231.234 PRESSAVG: 2805600 -69.6974 67.6888 27.7253 67.6888 51.3872 -26.4483 27.7253 -26.4484 1.29387 GPRESSAVG: 2805600 -69.0807 67.4235 31.1463 66.7248 50.7097 -27.3285 24.6724 -27.2683 1.4631 TIMING: 2805600 CPU: 8452.03, 0.0030363/step Wall: 8452.03, 0.0030363/step, 1.85079 hours remaining, 210.429688 MB of memory in use. ENERGY: 2805600 778.6390 2085.4212 1935.6277 137.8670 -205899.1504 17685.1389 0.0000 0.0000 34272.4591 -149003.9975 299.3099 -183276.4566 -148900.4363 299.8499 -137.1014 -101.3093 558606.3455 -5.6721 -5.6360 PRESSURE: 2805800 128.459 28.6055 11.4985 28.6061 189.438 120.062 11.4975 120.06 64.1062 GPRESSURE: 2805800 119.961 50.3195 70.6412 48.0397 220.469 207.767 70.9218 73.7121 133.535 PRESSAVG: 2805800 8.53527 78.2771 6.4361 78.2772 5.64842 15.2512 6.43611 15.2511 -44.7217 GPRESSAVG: 2805800 7.54193 79.2445 5.85776 77.1331 5.40104 16.3018 8.62699 16.8243 -44.0347 TIMING: 2805800 CPU: 8452.64, 0.00302688/step Wall: 8452.64, 0.00302688/step, 1.84488 hours remaining, 210.429688 MB of memory in use. ENERGY: 2805800 752.5161 2083.6138 1909.7656 116.5990 -206118.0833 18016.4920 0.0000 0.0000 34299.6551 -148939.4416 299.5474 -183239.0967 -148836.2092 299.9451 127.3344 157.9883 558578.6126 -10.1793 -10.3639 PRESSURE: 2806000 -63.0553 142.373 -39.2042 142.371 -239.272 61.3104 -39.2047 61.3094 -18.6853 GPRESSURE: 2806000 -42.9007 158.365 -19.2334 195.408 -127.071 28.439 -99.7346 -6.80468 -62.5521 PRESSAVG: 2806000 29.9268 9.62122 -18.3991 9.62124 16.4264 54.4181 -18.399 54.418 -58.2817 GPRESSAVG: 2806000 30.1378 9.57454 -19.6465 9.21433 18.1969 54.1137 -18.0198 53.2428 -60.4178 TIMING: 2806000 CPU: 8453.25, 0.00304524/step Wall: 8453.25, 0.00304524/step, 1.85591 hours remaining, 210.429688 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: 2806000 723.2438 2058.4371 1939.5446 109.9600 -205790.6047 17561.1791 0.0000 0.0000 34458.6608 -148939.5794 300.9361 -183398.2401 -148843.6992 299.8115 -107.0042 -77.5078 557966.7300 -3.9762 -4.0277 PRESSURE: 2806200 15.5991 17.8552 -93.9367 17.8564 192.612 -145.05 -93.9367 -145.048 -252.225 GPRESSURE: 2806200 -23.2015 -56.2335 -157.31 -41.6825 256.041 -127.116 -113.643 -111.333 -182.939 PRESSAVG: 2806200 25.2466 -21.1921 -64.1585 -21.192 24.4151 16.3668 -64.1586 16.3667 -69.9835 GPRESSAVG: 2806200 26.0863 -22.0268 -63.9483 -19.9548 22.9379 18.2527 -65.0676 16.1397 -69.5236 TIMING: 2806200 CPU: 8453.84, 0.00298027/step Wall: 8453.84, 0.00298027/step, 1.81614 hours remaining, 210.429688 MB of memory in use. ENERGY: 2806200 726.4705 2093.7701 1924.4773 118.7114 -205661.5723 17679.5975 0.0000 0.0000 34172.4711 -148946.0745 298.4367 -183118.5455 -148860.1421 299.7190 -14.6713 16.6334 557592.3220 -6.7739 -6.8331 PRESSURE: 2806400 210.113 142.071 68.997 142.07 -39.2396 -54.2961 68.9967 -54.2947 -135.349 GPRESSURE: 2806400 178.182 33.2257 18.4233 185.197 -13.9083 -37.4662 102.603 -88.8301 -38.7851 PRESSAVG: 2806400 29.66 -21.3291 -33.3091 -21.3291 48.604 -14.2492 -33.3091 -14.2492 -67.7772 GPRESSAVG: 2806400 27.99 -21.1738 -31.7252 -22.235 48.2937 -17.2328 -34.8737 -12.8337 -66.6351 TIMING: 2806400 CPU: 8454.45, 0.00303839/step Wall: 8454.45, 0.00303839/step, 1.85139 hours remaining, 210.429688 MB of memory in use. ENERGY: 2806400 738.3136 2060.6986 1918.7298 120.1406 -206283.6425 17884.9866 0.0000 0.0000 34561.2990 -148999.4743 301.8324 -183560.7733 -148898.2030 300.1804 11.8416 41.8295 557344.8767 3.4956 3.2162 PRESSURE: 2806600 -96.5325 2.66009 -133.8 2.66004 185.587 208.803 -133.8 208.803 -273.105 GPRESSURE: 2806600 -121.453 71.8227 -166.675 23.9204 249.468 168.424 -78.6888 164.716 -206.157 PRESSAVG: 2806600 22.4655 24.3193 -46.4146 24.3193 -14.0112 13.6652 -46.4147 13.6651 -24.4407 GPRESSAVG: 2806600 23.6 25.1204 -47.4328 23.4984 -14.257 14.4713 -45.1436 13.9458 -24.859 TIMING: 2806600 CPU: 8455.05, 0.00301032/step Wall: 8455.05, 0.00301032/step, 1.83412 hours remaining, 210.429688 MB of memory in use. ENERGY: 2806600 764.6813 2075.0027 1932.1515 99.4970 -206303.8470 17978.8343 0.0000 0.0000 34363.7441 -149089.9362 300.1071 -183453.6803 -148997.9860 300.6541 -61.3500 -26.0474 557859.9159 -5.3288 -5.1720 PRESSURE: 2806800 -50.0373 228.913 -52.3313 228.913 74.5252 161.555 -52.3306 161.555 113.983 GPRESSURE: 2806800 -6.46247 153.97 -75.2906 249.387 116.882 118.803 12.2492 205.333 127.247 PRESSAVG: 2806800 -36.3163 -50.4721 -8.38264 -50.4721 18.8907 40.27 -8.38266 40.27 21.7539 GPRESSAVG: 2806800 -36.8446 -50.5435 -10.3552 -49.1926 19.3563 41.8874 -8.13862 37.2692 21.604 TIMING: 2806800 CPU: 8455.65, 0.00297946/step Wall: 8455.65, 0.00297946/step, 1.81515 hours remaining, 210.429688 MB of memory in use. ENERGY: 2806800 725.9203 2118.7985 1914.3012 109.8047 -205988.6271 17821.7710 0.0000 0.0000 34366.1333 -148931.8981 300.1280 -183298.0315 -148836.9141 299.3955 46.1569 79.2221 558057.0753 1.4428 1.3719 PRESSURE: 2807000 139.194 -55.4942 -6.98579 -55.4946 183.897 106.298 -6.98473 106.298 -85.3622 GPRESSURE: 2807000 140.684 -105.43 65.5199 -11.2356 230.864 141.904 -12.3808 123.825 -42.5456 PRESSAVG: 2807000 -4.07846 -2.05127 10.7827 -2.0512 -39.1566 19.8691 10.7827 19.8692 21.0725 GPRESSAVG: 2807000 -3.38831 -2.54104 11.7488 -1.31836 -38.6288 20.1282 11.3912 20.5453 19.6964 TIMING: 2807000 CPU: 8456.25, 0.00299021/step Wall: 8456.25, 0.00299021/step, 1.82154 hours remaining, 210.429688 MB of memory in use. ENERGY: 2807000 760.9145 2110.9655 1933.6280 118.9795 -206070.8135 17849.4848 0.0000 0.0000 34415.2342 -148881.6070 300.5568 -183296.8412 -148782.1339 300.1205 79.2428 109.6672 557283.7540 -7.3875 -7.4402 PRESSURE: 2807200 -259.197 141.196 197.973 141.196 170.138 -127.084 197.974 -127.084 72.9519 GPRESSURE: 2807200 -165.517 115.246 171.845 171.509 222.622 -95.44 212.603 -139.218 28.7807 PRESSAVG: 2807200 34.6903 31.723 -7.38225 31.723 -26.405 27.1059 -7.38224 27.106 42.8516 GPRESSAVG: 2807200 34.0074 31.821 -6.57059 31.0619 -26.9135 26.0221 -7.75787 29.1244 44.4683 TIMING: 2807200 CPU: 8456.84, 0.00298166/step Wall: 8456.84, 0.00298166/step, 1.81616 hours remaining, 210.500000 MB of memory in use. ENERGY: 2807200 765.7431 2043.6095 1932.1237 116.7341 -205839.4532 17791.5196 0.0000 0.0000 34397.6679 -148792.0553 300.4034 -183189.7232 -148689.2782 300.5154 -5.3691 28.6287 557554.8392 17.0456 17.1874 PRESSURE: 2807400 -363.524 127.399 -61.7284 127.399 -82.7573 -96.2863 -61.7287 -96.2857 -16.8783 GPRESSURE: 2807400 -280.379 112.621 -99.4633 67.6277 -51.379 -152.17 27.2072 -24.0512 -27.1945 PRESSAVG: 2807400 30.0448 19.757 -52.3776 19.7569 -12.2505 35.4234 -52.3776 35.4234 8.18386 GPRESSAVG: 2807400 30.0174 18.2746 -54.369 19.5163 -11.6607 33.1085 -52.1843 37.2212 7.58914 TIMING: 2807400 CPU: 8457.44, 0.002978/step Wall: 8457.44, 0.002978/step, 1.81377 hours remaining, 210.500000 MB of memory in use. ENERGY: 2807400 772.5906 2077.1407 1937.6408 116.7703 -205851.0406 17523.6776 0.0000 0.0000 34423.2617 -148999.9590 300.6269 -183423.2207 -148899.5237 299.9701 -154.3865 -119.6508 558655.7948 8.6594 8.6486 PRESSURE: 2807600 125.269 -328.435 10.9982 -328.435 146.139 -21.7458 10.9977 -21.7437 17.2581 GPRESSURE: 2807600 172.066 -373.35 67.0635 -276.784 171.746 -96.0141 -13.1887 26.8519 45.31 PRESSAVG: 2807600 -6.97667 -43.2607 -8.62571 -43.2607 33.7773 26.1634 -8.62573 26.1634 -13.1924 GPRESSAVG: 2807600 -6.44383 -40.887 -9.14555 -43.7429 32.6913 29.7737 -6.33677 24.2244 -12.6857 TIMING: 2807600 CPU: 8458.03, 0.00296033/step Wall: 8458.03, 0.00296033/step, 1.80284 hours remaining, 210.500000 MB of memory in use. ENERGY: 2807600 772.4804 2145.4683 1957.7546 102.5752 -206282.3002 17904.3162 0.0000 0.0000 34430.2836 -148969.4218 300.6882 -183399.7055 -148877.9423 299.8176 96.2219 129.7073 557292.0858 4.5361 4.5206 PRESSURE: 2807800 220.314 -0.6929 93.7187 -0.692099 -14.5923 -11.3585 93.718 -11.3589 112.819 GPRESSURE: 2807800 218.31 -81.4085 65.1632 -2.89429 58.427 -56.4711 96.0339 71.6107 153.265 PRESSAVG: 2807800 14.8108 -66.0453 2.08926 -66.0453 -26.0257 16.8746 2.08919 16.8746 20.965 GPRESSAVG: 2807800 14.4986 -67.2532 0.473757 -65.0709 -25.0917 13.6111 -0.281368 17.6613 20.196 TIMING: 2807800 CPU: 8458.63, 0.00299085/step Wall: 8458.63, 0.00299085/step, 1.82126 hours remaining, 210.500000 MB of memory in use. ENERGY: 2807800 738.8526 2147.9065 1930.8981 116.7225 -205905.7752 17792.1347 0.0000 0.0000 34249.8794 -148929.3814 299.1127 -183179.2608 -148835.9841 300.3511 106.1804 143.3342 557066.0049 3.2500 3.2010 PRESSURE: 2808000 -253.179 -62.2478 -40.6375 -62.2471 67.575 -143.456 -40.6376 -143.456 -195.843 GPRESSURE: 2808000 -158.519 -77.4059 -41.6367 -39.1746 40.7246 -140.32 -20.0918 -111.457 -171.077 PRESSAVG: 2808000 -48.4924 -29.4511 17.3031 -29.4511 -1.86859 -33.4633 17.3032 -33.4634 10.4004 GPRESSAVG: 2808000 -47.2853 -31.0775 19.5541 -30.1067 -2.26418 -32.6716 17.0972 -33.9904 10.2802 TIMING: 2808000 CPU: 8459.23, 0.00298179/step Wall: 8459.23, 0.00298179/step, 1.81558 hours remaining, 210.500000 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: 2808000 813.2439 2122.7076 1952.0665 107.3238 -205830.0336 17577.9163 0.0000 0.0000 34294.8603 -148961.9153 299.5055 -183256.7756 -148861.3874 300.0253 -127.1491 -96.2905 556669.5233 -13.3202 -13.0898 PRESSURE: 2808200 -40.5914 84.6334 -159.025 84.6328 245.427 -38.3307 -159.026 -38.3304 146.033 GPRESSURE: 2808200 -29.1243 118.122 -117.235 78.8631 299.825 4.25285 -166.268 -8.64217 180.612 PRESSAVG: 2808200 -5.67986 -31.5241 2.0819 -31.5241 -5.65699 -29.7374 2.08176 -29.7374 27.2961 GPRESSAVG: 2808200 -5.98107 -29.6266 0.372332 -30.5735 -6.44732 -29.4614 3.16037 -29.922 28.526 TIMING: 2808200 CPU: 8459.82, 0.00294902/step Wall: 8459.82, 0.00294902/step, 1.79546 hours remaining, 210.500000 MB of memory in use. ENERGY: 2808200 775.2785 2094.0008 1961.6027 117.6228 -206137.8283 17918.3459 0.0000 0.0000 34360.8160 -148910.1617 300.0816 -183270.9777 -148805.4052 299.9169 116.9563 150.4375 556505.5339 5.3198 5.3659 LDB: ============= START OF LOAD BALANCING ============== 8463.33 LDB: ============== END OF LOAD BALANCING =============== 8463.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8463.33 LDB: ============= START OF LOAD BALANCING ============== 8463.63 LDB: Largest compute 4772 load 0.025398 is 21.5% of average load 0.118057 LDB: Average compute 0.001725 is 1.5% of average load 0.118057 LDB: TIME 8463.63 LOAD: AVG 0.118057 MAX 0.207067 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.262 MB LDB: TIME 8463.63 LOAD: AVG 0.118057 MAX 0.207067 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.262 MB LDB: TIME 8463.63 LOAD: AVG 0.118057 MAX 0.207067 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.262 MB LDB: ============== END OF LOAD BALANCING =============== 8463.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8463.64 PRESSURE: 2808400 -234.753 97.1518 -48.0166 97.1524 96.3138 -80.5466 -48.0165 -80.5466 -330.08 GPRESSURE: 2808400 -151.371 82.054 -59.1091 83.9158 82.6237 -169.83 -19.5049 -69.3321 -315.032 PRESSAVG: 2808400 -36.7019 -23.4974 -0.259922 -23.4975 38.3382 -12.1639 -0.259892 -12.1639 -15.6404 GPRESSAVG: 2808400 -37.5371 -25.3089 0.464292 -22.679 38.4641 -12.6868 -0.933503 -11.4619 -14.683 TIMING: 2808400 CPU: 8460.42, 0.00302285/step Wall: 8460.42, 0.00302285/step, 1.84024 hours remaining, 208.429688 MB of memory in use. ENERGY: 2808400 752.0008 2099.4140 1938.1743 128.0415 -205889.5763 17769.5968 0.0000 0.0000 34468.2625 -148734.0864 301.0199 -183202.3489 -148634.8874 301.1797 -156.1728 -127.9264 559593.7106 -4.6680 -4.5853 PRESSURE: 2808600 193.651 -200.335 -54.4823 -200.335 250.815 -30.6055 -54.4817 -30.603 275.435 GPRESSURE: 2808600 230.931 -199.251 -104.345 -199.361 306.729 61.902 12.211 -20.5796 274.195 PRESSAVG: 2808600 6.61013 19.87 -10.2269 19.8701 -3.40594 19.4122 -10.2268 19.4121 -23.3131 GPRESSAVG: 2808600 7.65373 21.6838 -10.0021 17.902 -2.44549 21.5222 -13.0762 19.4661 -25.2953 TIMING: 2808600 CPU: 8461.01, 0.00294731/step Wall: 8461.01, 0.00294731/step, 1.79409 hours remaining, 208.429688 MB of memory in use. ENERGY: 2808600 742.7727 2143.1705 1921.0334 108.3533 -206254.1369 18218.5782 0.0000 0.0000 34419.0677 -148701.1610 300.5903 -183120.2287 -148603.4961 300.6791 239.9670 270.6184 556779.7316 -6.7030 -6.6957 PRESSURE: 2808800 180.356 -11.1303 -51.3413 -11.1314 195.905 -73.5519 -51.3403 -73.5535 43.8157 GPRESSURE: 2808800 244.891 54.8466 -31.1209 -10.9489 243.799 64.3303 -48.9882 -127.937 27.0377 PRESSAVG: 2808800 6.8051 -13.8545 28.3603 -13.8544 57.9782 53.8397 28.3604 53.8397 -52.4592 GPRESSAVG: 2808800 6.38515 -14.5768 27.9263 -11.5447 57.7409 52.9463 30.599 53.2495 -51.9947 TIMING: 2808800 CPU: 8461.6, 0.00294896/step Wall: 8461.6, 0.00294896/step, 1.79494 hours remaining, 208.429688 MB of memory in use. ENERGY: 2808800 720.9250 2111.8027 1941.8800 116.6531 -206075.3953 17894.7542 0.0000 0.0000 34606.2724 -148683.1080 302.2252 -183289.3804 -148586.2051 300.9264 140.0254 171.9092 558046.9655 4.1081 4.0438 PRESSURE: 2809000 -186.315 13.8962 -150.314 13.8953 -28.0887 -25.8006 -150.314 -25.8008 -190.769 GPRESSURE: 2809000 -153.412 32.2048 -186.597 78.9379 36.2566 -91.2032 -161.122 43.1077 -194.939 PRESSAVG: 2809000 20.7928 -17.0601 9.27668 -17.0602 54.5756 64.9413 9.27672 64.9414 -90.0829 GPRESSAVG: 2809000 20.6857 -16.4406 12.0366 -16.3916 53.7514 66.8617 7.39346 63.3729 -89.2784 TIMING: 2809000 CPU: 8462.19, 0.00295061/step Wall: 8462.19, 0.00295061/step, 1.79577 hours remaining, 208.429688 MB of memory in use. ENERGY: 2809000 746.1429 2082.3563 1941.0094 120.2948 -205660.2834 17675.9733 0.0000 0.0000 34475.3732 -148619.1336 301.0820 -183094.5068 -148526.7587 300.8663 -135.0576 -104.0314 559520.6867 -4.9048 -4.9471 PRESSURE: 2809200 -63.9923 93.9215 -119.365 93.9229 -222.718 74.555 -119.366 74.556 -98.8884 GPRESSURE: 2809200 -110.737 74.9478 42.0086 89.1861 -167.802 124.435 -98.2503 -37.0062 -8.72384 PRESSAVG: 2809200 -73.2628 37.3331 -2.20383 37.333 39.3502 -16.0032 -2.2039 -16.0033 -0.155195 GPRESSAVG: 2809200 -73.6135 37.5976 -5.24314 35.3867 38.8066 -18.3055 0.877441 -15.3829 0.778032 TIMING: 2809200 CPU: 8462.78, 0.00294798/step Wall: 8462.78, 0.00294798/step, 1.79401 hours remaining, 208.429688 MB of memory in use. ENERGY: 2809200 733.1042 2083.8745 1963.9136 117.3069 -205219.2299 17378.4341 0.0000 0.0000 34436.4160 -148506.1805 300.7418 -182942.5965 -148411.2672 301.2824 -128.5329 -95.7544 559699.5067 -11.3559 -11.3430 PRESSURE: 2809400 -69.5167 2.13284 50.7881 2.13378 26.513 154.709 50.7871 154.71 -26.1153 GPRESSURE: 2809400 14.3871 88.19 40.9305 -85.079 69.0024 123.323 25.3735 207.744 -54.5846 PRESSAVG: 2809400 5.82278 4.38907 -18.0705 4.38905 26.0499 -3.87718 -18.0704 -3.87736 1.90942 GPRESSAVG: 2809400 5.63816 3.99892 -18.1034 4.82381 28.0078 -2.35445 -20.0036 -2.98762 0.288963 TIMING: 2809400 CPU: 8463.37, 0.00297416/step Wall: 8463.37, 0.00297416/step, 1.80978 hours remaining, 208.429688 MB of memory in use. ENERGY: 2809400 728.7246 2029.7333 1941.0932 119.6707 -205608.8380 17664.1773 0.0000 0.0000 34377.9952 -148747.4437 300.2316 -183125.4389 -148645.0386 300.5629 -23.0397 9.6016 558585.9667 11.2607 11.3116 PRESSURE: 2809600 -75.0825 -62.5026 -37.518 -62.5014 -209.954 97.7352 -37.5191 97.7338 -202.133 GPRESSURE: 2809600 -58.406 -80.6119 -20.7717 -7.50005 -140.55 185.493 -27.4255 101.454 -182.48 PRESSAVG: 2809600 36.0003 -49.2991 31.9088 -49.2992 -19.0021 -1.17561 31.9088 -1.17556 -8.46576 GPRESSAVG: 2809600 37.2454 -48.7917 31.9063 -50.4379 -20.1845 -1.67558 29.9913 -0.922852 -8.39859 TIMING: 2809600 CPU: 8463.98, 0.0030034/step Wall: 8463.98, 0.0030034/step, 1.8274 hours remaining, 208.632812 MB of memory in use. ENERGY: 2809600 751.3738 2083.4664 1930.0545 116.0198 -205796.3875 17755.9455 0.0000 0.0000 34272.9945 -148886.5330 299.3146 -183159.5275 -148779.8649 300.0534 -162.3896 -127.1454 558350.5535 2.8441 2.8874 PRESSURE: 2809800 -183.392 255.176 74.8966 255.176 112.681 -181.428 74.8959 -181.429 79.3863 GPRESSURE: 2809800 -132.195 184.114 68.2081 271.871 127.8 -196.462 49.7181 -142.425 110.03 PRESSAVG: 2809800 -9.87365 52.8666 -62.984 52.8665 -15.0201 -6.27391 -62.984 -6.27386 54.9672 GPRESSAVG: 2809800 -12.1738 51.2313 -64.1903 55.563 -14.565 -6.66734 -59.7547 -8.26829 56.5498 TIMING: 2809800 CPU: 8464.58, 0.00303676/step Wall: 8464.58, 0.00303676/step, 1.84753 hours remaining, 208.632812 MB of memory in use. ENERGY: 2809800 737.5712 2077.2081 1936.9489 112.5576 -206055.8821 17770.6467 0.0000 0.0000 34665.2456 -148755.7040 302.7402 -183420.9496 -148661.8655 300.5067 2.8918 35.2116 558072.9044 10.0245 9.9370 PRESSURE: 2810000 141.4 -94.6703 70.226 -94.6681 45.1461 -35.7717 70.2265 -35.7725 146.507 GPRESSURE: 2810000 170.769 -127.122 129.753 -39.7993 83.6428 2.42428 112.461 -33.6431 168.798 PRESSAVG: 2810000 49.4788 12.6781 -20.0764 12.6782 14.4926 -12.0026 -20.0764 -12.0026 -6.98557 GPRESSAVG: 2810000 49.8571 13.017 -19.2931 9.60392 14.9485 -12.8145 -19.0373 -9.45217 -8.04308 TIMING: 2810000 CPU: 8465.18, 0.00297546/step Wall: 8465.18, 0.00297546/step, 1.81007 hours remaining, 208.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2810000 747.0238 2089.2317 1922.0626 112.2060 -205890.3545 17786.5819 0.0000 0.0000 34474.5976 -148758.6509 301.0752 -183233.2485 -148666.6035 300.7555 111.0177 141.0699 556013.1612 18.9953 18.9208 PRESSURE: 2810200 141.289 -16.6452 -104.583 -16.6445 267.747 -89.7012 -104.583 -89.7029 227.823 GPRESSURE: 2810200 218.783 -83.4764 -110.56 18.5346 303.649 -50.132 -97.0984 -95.1502 224.603 PRESSAVG: 2810200 -54.3109 -11.9179 -8.02092 -11.9179 17.6654 -34.5065 -8.02089 -34.5064 -4.16367 GPRESSAVG: 2810200 -54.0788 -10.8473 -8.52027 -11.7785 18.4842 -32.338 -8.95905 -36.313 -4.91496 TIMING: 2810200 CPU: 8465.77, 0.00297144/step Wall: 8465.77, 0.00297144/step, 1.80746 hours remaining, 208.632812 MB of memory in use. ENERGY: 2810200 747.0672 2084.3013 1947.2858 118.6241 -206285.8050 18207.7072 0.0000 0.0000 34360.0434 -148820.7759 300.0748 -183180.8193 -148720.1679 300.3991 212.2865 249.0115 556985.1404 -13.6031 -13.5032 PRESSURE: 2810400 -67.1944 98.2154 147.412 98.2158 -37.4654 131.162 147.412 131.161 108.051 GPRESSURE: 2810400 -37.0707 82.3955 106.115 75.2296 25.516 157.967 135.813 179.222 94.9448 PRESSAVG: 2810400 42.4875 -0.0913146 -87.7424 -0.0912974 -14.0845 32.6259 -87.7425 32.6259 -81.3399 GPRESSAVG: 2810400 42.9077 -0.825756 -86.5773 2.43709 -15.5472 30.2826 -89.3706 33.2688 -79.9645 TIMING: 2810400 CPU: 8466.37, 0.00298893/step Wall: 8466.37, 0.00298893/step, 1.81793 hours remaining, 208.632812 MB of memory in use. ENERGY: 2810400 743.4372 2117.7886 1926.5335 123.4127 -205989.4527 17695.3950 0.0000 0.0000 34623.5489 -148759.3367 302.3761 -183382.8856 -148664.7493 300.6682 1.1305 27.7967 558759.7549 -17.6456 -17.5346 PRESSURE: 2810600 15.2393 17.2273 -202.485 17.2281 -160.411 38.6111 -202.484 38.6111 -63.6566 GPRESSURE: 2810600 -8.91703 -16.5384 -149.714 22.1714 -137.248 75.0052 -192.07 -34.9442 46.5792 PRESSAVG: 2810600 16.4009 -2.74002 25.022 -2.7401 63.3699 29.0948 25.0221 29.0949 -87.1079 GPRESSAVG: 2810600 16.5356 -2.57413 24.7226 -4.83065 64.0166 30.5982 26.8616 28.7466 -87.4669 TIMING: 2810600 CPU: 8466.97, 0.00298025/step Wall: 8466.97, 0.00298025/step, 1.81249 hours remaining, 208.632812 MB of memory in use. ENERGY: 2810600 779.5353 2101.7359 1953.9663 112.6150 -206230.4264 17876.6781 0.0000 0.0000 34549.6258 -148856.2699 301.7305 -183405.8957 -148760.0150 300.7407 -69.6094 -33.1954 558723.9536 -2.4457 -2.3049 PRESSURE: 2810800 275.62 -9.69695 42.9567 -9.69609 172.598 -127.837 42.9554 -127.838 39.1109 GPRESSURE: 2810800 303.706 -81.5264 1.37464 121.662 211.666 -79.6104 62.1102 -59.9999 59.1054 PRESSAVG: 2810800 -67.0365 -27.2209 -38.6542 -27.2207 12.448 -42.9326 -38.6542 -42.9325 41.4431 GPRESSAVG: 2810800 -67.3865 -24.2124 -40.2695 -28.0361 12.5535 -44.5239 -37.7946 -42.9373 41.0895 TIMING: 2810800 CPU: 8467.57, 0.00301385/step Wall: 8467.57, 0.00301385/step, 1.83275 hours remaining, 208.632812 MB of memory in use. ENERGY: 2810800 757.5150 2075.3559 1918.5801 104.5494 -206168.3840 18014.0962 0.0000 0.0000 34344.7103 -148953.5771 299.9409 -183298.2874 -148858.5435 300.6993 162.4430 191.4924 556682.6396 -4.3818 -4.5811 PRESSURE: 2811000 59.7546 -2.0348 -163.827 -2.03407 -35.256 98.061 -163.826 98.0605 212.952 GPRESSURE: 2811000 126.773 12.9706 -167.726 -0.384443 -27.8677 86.2745 -244.666 124.621 226.518 PRESSAVG: 2811000 9.55243 -4.27675 -12.3328 -4.27662 0.356271 7.18248 -12.3327 7.18242 -46.8487 GPRESSAVG: 2811000 9.30366 -5.30678 -14.1155 -4.24164 0.640971 9.58126 -12.9596 6.74017 -46.5194 TIMING: 2811000 CPU: 8468.17, 0.00302561/step Wall: 8468.17, 0.00302561/step, 1.83974 hours remaining, 208.632812 MB of memory in use. ENERGY: 2811000 729.3052 2127.5835 1938.4607 111.7675 -206043.2236 17951.5172 0.0000 0.0000 34241.0690 -148943.5206 299.0358 -183184.5896 -148848.6193 300.2081 79.1503 108.4745 556768.1620 -12.3133 -12.1916 PRESSURE: 2811200 -93.273 -102.127 55.1988 -102.129 -75.3721 12.414 55.1981 12.4129 0.329775 GPRESSURE: 2811200 -13.9323 -63.3573 179.472 -138.666 -89.8943 -17.1227 27.848 9.54391 27.0448 PRESSAVG: 2811200 18.9139 -21.5438 5.8658 -21.5437 12.8605 3.21611 5.86572 3.21624 23.9297 GPRESSAVG: 2811200 19.811 -24.2974 10.2825 -19.7309 11.6064 -1.45272 5.09706 5.85145 24.885 TIMING: 2811200 CPU: 8468.78, 0.00302405/step Wall: 8468.78, 0.00302405/step, 1.83862 hours remaining, 208.632812 MB of memory in use. ENERGY: 2811200 774.3386 2061.3790 1932.8962 112.6753 -205517.6346 17610.8168 0.0000 0.0000 34092.9986 -148932.5301 297.7426 -183025.5288 -148831.3693 300.0296 -56.1051 -25.5940 559556.8683 18.5680 18.7675 PRESSURE: 2811400 244.135 75.6067 45.4437 75.6074 -164.324 -100.863 45.4437 -100.865 -62.2165 GPRESSURE: 2811400 295.51 66.8428 79.3598 110.947 -123.033 -68.1211 59.1525 -71.5595 -56.9324 PRESSAVG: 2811400 -16.7404 -1.25586 30.4238 -1.25595 0.0453582 13.969 30.4237 13.969 12.2645 GPRESSAVG: 2811400 -17.0763 1.04933 28.9287 -1.96836 1.20583 16.9048 30.8234 12.1108 11.5813 TIMING: 2811400 CPU: 8469.38, 0.00302383/step Wall: 8469.38, 0.00302383/step, 1.83832 hours remaining, 208.632812 MB of memory in use. ENERGY: 2811400 787.0203 2085.0581 1917.4537 118.5175 -206050.3738 17754.0349 0.0000 0.0000 34455.5911 -148932.6984 300.9092 -183388.2895 -148835.6805 300.3244 5.8649 38.5149 556239.4863 -1.4769 -1.4297 PRESSURE: 2811600 19.0189 -36.9059 -12.6355 -36.9075 183.449 -86.3829 -12.6353 -86.3832 95.3091 GPRESSURE: 2811600 10.2842 5.85866 -105.932 -58.8718 246.099 -101.247 46.7448 -92.4081 143.666 PRESSAVG: 2811600 54.3066 41.5831 6.67081 41.5831 -73.4732 -50.4974 6.67078 -50.4975 5.11503 GPRESSAVG: 2811600 54.3692 41.1708 7.43853 40.414 -73.3382 -48.767 5.23255 -52.1277 4.6226 TIMING: 2811600 CPU: 8469.99, 0.00303262/step Wall: 8469.99, 0.00303262/step, 1.8435 hours remaining, 208.632812 MB of memory in use. ENERGY: 2811600 768.8812 2101.5388 1932.4449 124.0998 -206357.1561 18055.4670 0.0000 0.0000 34433.3002 -148941.4241 300.7146 -183374.7244 -148845.3849 300.7368 99.2590 133.3498 558199.6705 -4.6839 -4.7821 PRESSURE: 2811800 124.333 -85.0951 -139.236 -85.0954 -95.1171 14.8578 -139.236 14.8584 20.8206 GPRESSURE: 2811800 151.67 -89.5517 -181.071 -125.789 -111.281 11.9561 -36.3956 41.6748 113.593 PRESSAVG: 2811800 -24.3866 31.73 -28.6 31.73 21.4378 -16.9166 -28.6 -16.9166 52.457 GPRESSAVG: 2811800 -25.4433 32.7927 -29.077 31.9411 20.3803 -17.9823 -28.3639 -14.9821 53.9565 TIMING: 2811800 CPU: 8470.6, 0.00302937/step Wall: 8470.6, 0.00302937/step, 1.84135 hours remaining, 208.632812 MB of memory in use. ENERGY: 2811800 737.1016 2008.7862 1932.4985 106.9874 -205942.9233 17906.0515 0.0000 0.0000 34421.3536 -148830.1445 300.6102 -183251.4981 -148741.7210 299.7485 16.6787 51.3273 559982.3367 16.5028 16.2978 PRESSURE: 2812000 209.718 33.1328 20.5599 33.1312 -49.4476 81.3423 20.5616 81.3447 306.593 GPRESSURE: 2812000 227.4 -43.0688 -64.9759 78.1516 -29.5876 156.27 -40.6857 29.288 358.692 PRESSAVG: 2812000 -64.3311 17.7781 -21.2218 17.7782 5.55628 18.0524 -21.2218 18.0524 63.1698 GPRESSAVG: 2812000 -64.4926 17.2225 -21.7577 17.795 4.26082 17.3566 -20.6722 16.8318 64.5059 TIMING: 2812000 CPU: 8471.19, 0.00298789/step Wall: 8471.19, 0.00298789/step, 1.81597 hours remaining, 208.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2812000 733.0339 2089.5631 1951.4672 115.8952 -206216.1574 18135.3470 0.0000 0.0000 34444.1182 -148746.7329 300.8091 -183190.8511 -148653.5161 300.4389 155.6210 185.5017 558763.9907 1.4650 1.4247 PRESSURE: 2812200 -63.1833 145.839 -18.1481 145.839 -228.604 6.90972 -18.1488 6.91015 -11.1339 GPRESSURE: 2812200 -44.8733 153.385 -19.6545 217.34 -172.912 -58.5954 9.49278 -4.62398 28.5523 PRESSAVG: 2812200 -40.8986 -15.5835 -9.81805 -15.5835 -20.4764 -16.1806 -9.81807 -16.1806 37.0765 GPRESSAVG: 2812200 -39.7585 -17.1678 -10.555 -14.4874 -18.8892 -16.9831 -8.63178 -15.0959 34.2368 TIMING: 2812200 CPU: 8471.8, 0.00300898/step Wall: 8471.8, 0.00300898/step, 1.82862 hours remaining, 208.632812 MB of memory in use. ENERGY: 2812200 724.9250 2074.3291 1955.9745 111.2476 -205790.6499 17766.0127 0.0000 0.0000 34187.2475 -148970.9135 298.5657 -183158.1610 -148877.6448 300.1031 -100.9738 -63.0777 560699.2853 -8.0995 -8.1369 LDB: ============= START OF LOAD BALANCING ============== 8475.31 LDB: ============== END OF LOAD BALANCING =============== 8475.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8475.32 LDB: ============= START OF LOAD BALANCING ============== 8475.62 LDB: Largest compute 4800 load 0.026231 is 22.2% of average load 0.118148 LDB: Average compute 0.001728 is 1.5% of average load 0.118148 LDB: TIME 8475.62 LOAD: AVG 0.118148 MAX 0.206342 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.969 MB LDB: TIME 8475.62 LOAD: AVG 0.118148 MAX 0.206342 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.172 MB LDB: TIME 8475.62 LOAD: AVG 0.118148 MAX 0.206342 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.172 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8475.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8475.63 PRESSURE: 2812400 -43.7605 3.03819 -85.373 3.03819 84.9114 -67.0698 -85.3725 -67.071 -255.845 GPRESSURE: 2812400 -49.367 30.9056 -85.3696 -48.135 153.502 -57.8181 -129.667 -18.1938 -235.276 PRESSAVG: 2812400 -38.6109 15.9501 -15.1213 15.95 -10.3515 -34.6667 -15.1212 -34.6667 48.8232 GPRESSAVG: 2812400 -39.5957 16.203 -15.6266 17.0548 -10.0751 -35.7888 -16.3716 -33.0548 49.4195 TIMING: 2812400 CPU: 8472.41, 0.00307316/step Wall: 8472.41, 0.00307316/step, 1.86746 hours remaining, 208.484375 MB of memory in use. ENERGY: 2812400 718.6282 2031.9281 1931.0718 125.3414 -205755.3640 17742.2805 0.0000 0.0000 34158.2883 -149047.8256 298.3128 -183206.1139 -148952.8009 299.3612 -71.5645 -43.7137 559665.2788 -0.0464 -0.0838 PRESSURE: 2812600 -131.128 12.0649 -95.146 12.0653 67.2017 42.8979 -95.1462 42.8999 -136.651 GPRESSURE: 2812600 -105.693 -14.1393 -41.9591 -27.1879 117.936 25.1837 -157.39 38.6695 -111.243 PRESSAVG: 2812600 -4.04374 -8.03369 44.6845 -8.03373 12.4954 29.1253 44.6845 29.1254 3.20893 GPRESSAVG: 2812600 -3.27493 -6.21069 45.3624 -10.8226 11.8642 32.9377 45.6026 26.5946 2.76689 TIMING: 2812600 CPU: 8473, 0.00295891/step Wall: 8473, 0.00295891/step, 1.79787 hours remaining, 208.687500 MB of memory in use. ENERGY: 2812600 726.3163 2050.4995 1919.9507 114.0326 -205938.3037 17795.9369 0.0000 0.0000 34241.4729 -149090.0948 299.0393 -183331.5677 -148997.1614 299.2071 -66.8592 -33.0002 559535.8272 3.8869 3.7854 PRESSURE: 2812800 -259.948 -9.52304 -188.385 -9.52325 -183.526 20.4889 -188.384 20.49 27.5031 GPRESSURE: 2812800 -231.567 -36.1437 -175.785 -60.6498 -156.578 59.5601 -167.677 39.8633 63.3692 PRESSAVG: 2812800 -8.64815 -14.7815 7.49165 -14.7816 57.459 28.7115 7.49161 28.7114 -52.3333 GPRESSAVG: 2812800 -9.25638 -17.3217 7.46308 -11.448 58.4537 27.0338 6.92479 29.723 -52.5404 TIMING: 2812800 CPU: 8473.59, 0.00296333/step Wall: 8473.59, 0.00296333/step, 1.80039 hours remaining, 208.687500 MB of memory in use. ENERGY: 2812800 733.3031 2050.8294 1935.6691 108.7578 -205841.4195 17579.5555 0.0000 0.0000 34275.8948 -149157.4097 299.3399 -183433.3046 -149054.9853 298.8878 -138.6569 -108.2586 558214.0265 -1.1742 -1.1144 PRESSURE: 2813000 -99.8485 -5.51978 -197.847 -5.52007 -200.152 -22.6211 -197.846 -22.6204 139.141 GPRESSURE: 2813000 -40.2664 -55.0446 -206.722 67.1104 -162.738 21.6063 -185.33 -56.9776 137.954 PRESSAVG: 2813000 -31.2631 48.7242 -35.5887 48.7241 33.9837 -33.3889 -35.5887 -33.389 45.2872 GPRESSAVG: 2813000 -30.014 51.4566 -33.7464 46.0431 33.0475 -33.0507 -37.4277 -35.1652 45.1436 TIMING: 2813000 CPU: 8474.19, 0.00295498/step Wall: 8474.19, 0.00295498/step, 1.79515 hours remaining, 208.687500 MB of memory in use. ENERGY: 2813000 814.3216 2000.9930 1945.2623 106.4648 -205952.9571 17717.8866 0.0000 0.0000 34204.7598 -149163.2690 298.7187 -183368.0288 -149067.1535 298.8720 -53.6198 -21.6833 557350.2138 16.0026 16.0591 PRESSURE: 2813200 -9.76738 -38.7466 101.816 -38.747 -56.3207 133.702 101.817 133.701 -216.203 GPRESSURE: 2813200 20.2917 -28.0984 68.4919 -39.5586 -24.6517 128.41 93.9691 90.7979 -185.663 PRESSAVG: 2813200 69.5572 -4.01218 -32.2347 -4.01211 -28.3007 35.5537 -32.2348 35.5539 28.6943 GPRESSAVG: 2813200 68.9948 -6.6047 -34.204 0.104393 -26.8143 35.4605 -29.9132 36.3484 28.4087 TIMING: 2813200 CPU: 8474.78, 0.00295153/step Wall: 8474.78, 0.00295153/step, 1.79289 hours remaining, 208.687500 MB of memory in use. ENERGY: 2813200 741.3208 2111.0794 1913.0502 115.8310 -206146.0578 17676.2156 0.0000 0.0000 34311.2388 -149277.3220 299.6486 -183588.5607 -149185.1755 298.9399 -94.0969 -63.3409 557672.9376 23.3169 23.5297 PRESSURE: 2813400 48.6189 -60.2589 25.181 -60.2605 272.115 -4.16958 25.1809 -4.16836 -44.1861 GPRESSURE: 2813400 64.9379 -102.084 57.2156 -105.196 281.819 -66.2143 65.1591 45.3169 31.1994 PRESSAVG: 2813400 28.7184 -39.1854 -5.66425 -39.1855 18.1016 -55.2479 -5.66427 -55.2479 -36.7703 GPRESSAVG: 2813400 28.8178 -38.1121 -5.41025 -42.7285 16.6951 -56.3031 -4.68234 -54.2548 -35.5294 TIMING: 2813400 CPU: 8475.37, 0.00296488/step Wall: 8475.37, 0.00296488/step, 1.80083 hours remaining, 208.687500 MB of memory in use. ENERGY: 2813400 728.0693 2077.8397 1931.9998 125.8289 -206099.7214 17877.2854 0.0000 0.0000 34048.1109 -149310.5875 297.3506 -183358.6984 -149219.2819 298.7555 92.1825 125.9854 556483.5951 3.3499 3.3278 PRESSURE: 2813600 -68.5871 -102.592 36.086 -102.594 23.3425 102.021 36.0861 102.02 53.4953 GPRESSURE: 2813600 -47.8265 -61.6363 -0.633234 -6.94814 79.1731 156.13 97.3461 104.318 75.5318 PRESSAVG: 2813600 -11.3555 -28.9562 -0.283772 -28.9563 49.9466 42.8126 -0.283837 42.8126 -14.4174 GPRESSAVG: 2813600 -11.5134 -29.4943 0.159658 -29.8955 51.0845 43.7174 -3.15969 40.5478 -15.1103 TIMING: 2813600 CPU: 8475.97, 0.0029998/step Wall: 8475.97, 0.0029998/step, 1.82188 hours remaining, 208.687500 MB of memory in use. ENERGY: 2813600 716.9243 2114.0276 1937.8616 117.3701 -206085.3821 17641.5718 0.0000 0.0000 34201.7934 -149355.8332 298.6928 -183557.6266 -149259.5690 298.6959 2.7503 35.6261 557913.5793 8.0579 8.1536 PRESSURE: 2813800 0.656739 29.9233 59.2324 29.9217 128.45 -145.378 59.233 -145.376 130.199 GPRESSURE: 2813800 67.794 87.7932 45.7473 11.1082 122.031 -120.343 58.7347 -189.575 157.241 PRESSAVG: 2813800 17.2566 -0.155148 29.1302 -0.155065 -47.9953 -21.1875 29.1302 -21.1877 4.97546 GPRESSAVG: 2813800 17.5526 1.04847 28.7655 3.69396 -48.7912 -22.0522 31.2413 -19.2194 5.70442 TIMING: 2813800 CPU: 8476.57, 0.00299172/step Wall: 8476.57, 0.00299172/step, 1.81681 hours remaining, 208.687500 MB of memory in use. ENERGY: 2813800 738.6145 2093.2754 1935.5682 107.2079 -206424.9163 17935.5531 0.0000 0.0000 34174.5649 -149440.1323 298.4550 -183614.6972 -149340.1885 298.4920 86.4352 115.6884 557627.3953 -8.5877 -8.5114 PRESSURE: 2814000 -86.3436 33.9494 -211.176 33.9489 -177.97 -141.725 -211.176 -141.725 -195.442 GPRESSURE: 2814000 -90.3444 38.3258 -222.023 98.8266 -156.92 -106.891 -261.131 -187.895 -123.184 PRESSAVG: 2814000 -45.0532 25.0095 -30.5765 25.0095 -27.0977 -29.5348 -30.5766 -29.5349 38.9132 GPRESSAVG: 2814000 -46.5393 24.9305 -29.6419 22.2357 -25.9178 -30.4162 -31.5975 -29.6339 38.8286 TIMING: 2814000 CPU: 8477.16, 0.0029826/step Wall: 8477.16, 0.0029826/step, 1.8111 hours remaining, 208.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2814000 744.9316 2104.7285 1943.8097 119.1441 -206001.8572 17391.0178 0.0000 0.0000 34113.1415 -149585.0838 297.9185 -183698.2254 -149488.3416 298.5862 -153.2519 -123.4829 555973.2698 -11.0792 -11.2095 PRESSURE: 2814200 -22.2175 95.2181 97.0115 95.2185 30.9469 -172.529 97.0116 -172.529 98.0706 GPRESSURE: 2814200 17.6466 69.8431 4.8806 102.219 47.7315 -258.57 89.5415 -80.7176 136.902 PRESSAVG: 2814200 46.3776 31.1983 46.0115 31.1982 -12.9271 -16.3169 46.0115 -16.317 -0.402706 GPRESSAVG: 2814200 46.8773 30.8533 45.9875 30.7388 -13.9339 -14.9221 45.6718 -17.3778 -0.334929 TIMING: 2814200 CPU: 8477.76, 0.00298384/step Wall: 8477.76, 0.00298384/step, 1.81169 hours remaining, 208.687500 MB of memory in use. ENERGY: 2814200 723.5614 2061.4938 1947.5861 115.1763 -206351.8450 17775.1585 0.0000 0.0000 34062.1573 -149666.7116 297.4733 -183728.8688 -149571.4760 298.5940 35.6000 67.4268 556959.4049 11.0159 10.8695 PRESSURE: 2814400 -3.59813 119.514 133.337 119.513 -4.65611 -71.1579 133.337 -71.1563 124.304 GPRESSURE: 2814400 38.3638 130.37 148.774 68.8392 67.0862 -50.6767 105.583 -161.471 106.172 PRESSAVG: 2814400 4.51972 2.3005 41.2463 2.30042 -11.2113 -17.5242 41.2464 -17.5242 -13.6059 GPRESSAVG: 2814400 5.32609 3.68059 42.6336 1.8174 -9.71996 -17.3484 41.1975 -18.2813 -15.9078 TIMING: 2814400 CPU: 8478.36, 0.002998/step Wall: 8478.36, 0.002998/step, 1.82012 hours remaining, 208.687500 MB of memory in use. ENERGY: 2814400 740.0788 2087.1403 1958.0800 115.3395 -206377.0880 17887.4216 0.0000 0.0000 34141.7577 -149447.2702 298.1685 -183589.0278 -149346.3598 298.4524 38.6831 70.5405 556147.1841 -6.7658 -6.7672 PRESSURE: 2814600 -81.5694 -69.5958 100.155 -69.5965 -108.159 64.4124 100.155 64.4115 64.6418 GPRESSURE: 2814600 -54.7259 -53.0503 198.692 -59.7865 -71.6342 78.102 72.4333 112.148 94.9046 PRESSAVG: 2814600 -29.5049 13.0026 15.0266 13.0025 11.8045 -19.4572 15.0266 -19.4573 61.7857 GPRESSAVG: 2814600 -29.6913 12.8342 15.4423 13.2141 10.488 -20.1409 16.5203 -18.7105 63.6018 TIMING: 2814600 CPU: 8478.96, 0.00299828/step Wall: 8478.96, 0.00299828/step, 1.82012 hours remaining, 208.687500 MB of memory in use. ENERGY: 2814600 711.1507 2089.1438 1946.4420 110.6903 -206123.0620 17477.6210 0.0000 0.0000 34293.9396 -149494.0746 299.4975 -183788.0142 -149404.0499 298.4726 -41.6956 -10.4852 555740.3012 14.6951 14.7995 PRESSURE: 2814800 147.385 -233.996 -16.8208 -233.997 72.1854 -10.6342 -16.8215 -10.6343 26.9574 GPRESSURE: 2814800 169.747 -191.454 -1.34807 -306.751 56.6527 -65.1158 -24.6248 30.0162 125.334 PRESSAVG: 2814800 -42.085 -36.6046 22.0744 -36.6047 -4.68457 31.3857 22.0744 31.3858 60.6723 GPRESSAVG: 2814800 -42.7387 -37.7406 20.6707 -35.2074 -4.00572 31.2563 21.9088 31.9263 61.0636 TIMING: 2814800 CPU: 8479.56, 0.00299083/step Wall: 8479.56, 0.00299083/step, 1.81544 hours remaining, 208.687500 MB of memory in use. ENERGY: 2814800 770.1952 2059.6900 1970.0990 112.4706 -206304.0961 17802.3153 0.0000 0.0000 34207.9021 -149381.4238 298.7461 -183589.3259 -149283.4435 299.6199 82.1759 117.2446 554451.8309 4.6342 4.7731 PRESSURE: 2815000 41.9199 108.966 65.9992 108.967 72.8124 -19.5465 65.9992 -19.5489 269.368 GPRESSURE: 2815000 128.892 116.908 80.6692 39.1159 90.3813 9.82625 38.2069 -97.9685 256.845 PRESSAVG: 2815000 18.4467 -13.4448 50.4391 -13.4447 -26.7567 -16.8622 50.439 -16.8623 67.5885 GPRESSAVG: 2815000 18.7946 -12.4719 51.2012 -14.2115 -25.6617 -16.7735 50.2723 -17.549 66.4677 TIMING: 2815000 CPU: 8480.16, 0.00302323/step Wall: 8480.16, 0.00302323/step, 1.83493 hours remaining, 208.687500 MB of memory in use. ENERGY: 2815000 733.4650 2052.2066 1908.8922 119.0772 -206653.9392 17955.9140 0.0000 0.0000 34319.2565 -149565.1276 299.7186 -183884.3841 -149473.9261 299.5117 128.0335 158.7062 555017.3072 19.7595 19.8669 PRESSURE: 2815200 -57.0491 -29.4538 60.5419 -29.4533 93.8133 -20.7289 60.5407 -20.727 180 GPRESSURE: 2815200 -17.9138 -85.6594 38.9517 49.6173 173.283 -76.5201 69.0179 -75.5923 154.099 PRESSAVG: 2815200 3.77048 -28.0246 93.0292 -28.0246 -70.2027 -4.8512 93.0291 -4.8512 29.8365 GPRESSAVG: 2815200 4.54309 -29.6387 92.162 -25.6095 -71.0197 -4.31615 93.8962 -3.59776 30.8324 TIMING: 2815200 CPU: 8480.76, 0.00300727/step Wall: 8480.76, 0.00300727/step, 1.82508 hours remaining, 208.687500 MB of memory in use. ENERGY: 2815200 759.7374 1992.5628 1929.1055 111.5758 -206637.7023 18073.0849 0.0000 0.0000 34239.4079 -149532.2280 299.0213 -183771.6359 -149433.8135 298.8995 72.2546 103.1563 556471.3470 -12.1986 -11.8814 PRESSURE: 2815400 2.9109 119.604 302.318 119.603 -105.897 -120.124 302.318 -120.123 110.004 GPRESSURE: 2815400 16.2366 75.0286 289.266 88.5737 -41.4762 -152.255 205.368 -116.809 133.504 PRESSAVG: 2815400 -8.71727 15.5253 34.8975 15.5251 -51.546 -26.1171 34.8975 -26.1171 61.4781 GPRESSAVG: 2815400 -10.5837 17.0025 35.3774 13.2048 -50.3526 -27.1725 33.8498 -28.0447 61.3428 TIMING: 2815400 CPU: 8481.36, 0.00299699/step Wall: 8481.36, 0.00299699/step, 1.81867 hours remaining, 208.687500 MB of memory in use. ENERGY: 2815400 766.5644 2071.4853 1958.1803 92.8611 -206375.1078 17711.0145 0.0000 0.0000 34300.3760 -149474.6263 299.5537 -183775.0023 -149373.8933 298.1481 2.3394 36.0881 555416.5753 0.4049 0.1355 PRESSURE: 2815600 -610.331 -92.3086 24.0598 -92.3073 45.1132 -32.2181 24.0613 -32.218 -32.8818 GPRESSURE: 2815600 -555.06 -142.526 36.0341 -105.365 78.1016 -94.1126 -39.3619 -8.30761 -27.1157 PRESSAVG: 2815600 -59.4419 9.88328 89.5798 9.88334 -47.7382 9.26894 89.5798 9.26886 97.8418 GPRESSAVG: 2815600 -58.8756 9.42263 88.3502 8.41596 -47.5301 10.0908 88.7611 10.136 97.8415 TIMING: 2815600 CPU: 8481.96, 0.00299228/step Wall: 8481.96, 0.00299228/step, 1.81565 hours remaining, 208.687500 MB of memory in use. ENERGY: 2815600 741.8330 2126.6844 1941.0356 120.3521 -206254.5954 17445.4769 0.0000 0.0000 34129.1375 -149750.0760 298.0582 -183879.2135 -149656.6602 298.3748 -199.3665 -168.0247 557150.9626 -3.1128 -2.8547 PRESSURE: 2815800 -52.8092 25.7295 85.1145 25.7305 -424.631 -76.2872 85.1153 -76.2863 -186.618 GPRESSURE: 2815800 -55.8538 16.8955 72.7924 8.18945 -361.991 -67.6892 112.122 -143.413 -156.482 PRESSAVG: 2815800 -50.3185 -50.8716 -7.42959 -50.8716 13.2493 -18.6349 -7.42962 -18.6349 65.8737 GPRESSAVG: 2815800 -49.9722 -50.6032 -7.70546 -49.4146 12.5346 -19.7023 -6.12454 -16.0097 65.9581 TIMING: 2815800 CPU: 8482.56, 0.00297719/step Wall: 8482.56, 0.00297719/step, 1.80633 hours remaining, 208.687500 MB of memory in use. ENERGY: 2815800 774.2954 2015.2366 1931.2706 121.8557 -206232.4683 17576.8093 0.0000 0.0000 34014.2547 -149798.7461 297.0549 -183813.0008 -149698.0572 297.3287 -221.3530 -191.4424 558358.8495 9.6015 9.5068 PRESSURE: 2816000 -290.771 21.2418 58.5084 21.2416 210.554 114.375 58.5085 114.375 -115.32 GPRESSURE: 2816000 -238.262 26.5602 -14.81 69.5591 178.409 34.5493 57.6383 144.358 -40.5051 PRESSAVG: 2816000 -6.48857 26.9848 21.0441 26.9848 -37.4508 -18.9633 21.0441 -18.9632 44.2308 GPRESSAVG: 2816000 -6.07257 27.0244 23.236 27.4629 -37.011 -18.6351 21.0232 -20.2975 43.7087 TIMING: 2816000 CPU: 8483.16, 0.00299485/step Wall: 8483.16, 0.00299485/step, 1.81688 hours remaining, 208.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2816000 746.4408 2080.7815 1940.6569 120.8604 -206495.0506 17789.6742 0.0000 0.0000 33928.3180 -149888.3188 296.3044 -183816.6368 -149790.8585 298.5071 -65.1791 -33.4529 557644.9128 0.0972 0.2084 PRESSURE: 2816200 -1.4648 -48.2225 51.2968 -48.223 67.5793 -2.88293 51.2968 -2.88131 48.6608 GPRESSURE: 2816200 8.2676 -28.5659 34.264 -133.141 94.0325 -28.9299 109.131 28.5106 97.9484 PRESSAVG: 2816200 2.07297 6.15489 -1.9188 6.15493 25.7245 26.6276 -1.91877 26.6275 -1.94523 GPRESSAVG: 2816200 2.68706 6.92292 -1.50132 4.07395 24.7694 27.1729 -3.05336 26.5098 -1.51842 TIMING: 2816200 CPU: 8483.76, 0.0029968/step Wall: 8483.76, 0.0029968/step, 1.81789 hours remaining, 208.687500 MB of memory in use. ENERGY: 2816200 706.7195 2047.1486 1947.7732 122.8686 -206715.6651 17929.8843 0.0000 0.0000 34100.0267 -149861.2441 297.8040 -183961.2708 -149762.6508 298.5748 38.2584 66.7495 557145.1783 8.6174 8.6460 LDB: ============= START OF LOAD BALANCING ============== 8487.27 LDB: ============== END OF LOAD BALANCING =============== 8487.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8487.28 LDB: ============= START OF LOAD BALANCING ============== 8487.58 LDB: Largest compute 4772 load 0.025971 is 22.0% of average load 0.118106 LDB: Average compute 0.001722 is 1.5% of average load 0.118106 LDB: TIME 8487.58 LOAD: AVG 0.118106 MAX 0.208473 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.258 MB LDB: TIME 8487.58 LOAD: AVG 0.118106 MAX 0.208473 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.262 MB LDB: TIME 8487.58 LOAD: AVG 0.118106 MAX 0.208473 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.262 MB LDB: ============== END OF LOAD BALANCING =============== 8487.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8487.59 PRESSURE: 2816400 200.8 13.0906 89.2518 13.0894 -146.086 -20.3496 89.2514 -20.3491 284.197 GPRESSURE: 2816400 200.093 -17.6026 169.747 52.5211 -78.2913 -99.1851 57.8617 5.04284 314.915 PRESSAVG: 2816400 25.0609 28.7893 4.9924 28.7893 -51.211 20.4911 4.99239 20.4911 25.6147 GPRESSAVG: 2816400 24.4929 28.4385 3.9234 29.4083 -49.6499 21.3747 6.00181 18.993 24.6974 TIMING: 2816400 CPU: 8484.37, 0.0030689/step Wall: 8484.37, 0.0030689/step, 1.86146 hours remaining, 208.996094 MB of memory in use. ENERGY: 2816400 704.3273 2098.5980 1958.7391 114.7031 -206751.7460 17866.6394 0.0000 0.0000 34141.0655 -149867.6737 298.1624 -184008.7392 -149772.8168 297.8438 112.9705 145.5720 556090.2037 -0.1785 -0.1532 PRESSURE: 2816600 71.3442 130.931 50.3393 130.931 4.12602 -69.9381 50.3413 -69.9371 179.145 GPRESSURE: 2816600 127.086 108.812 42.9662 122.22 17.9867 -66.6449 -26.8103 -21.6483 200.323 PRESSAVG: 2816600 37.7002 -3.09772 21.6901 -3.09773 -79.2433 -3.40023 21.6901 -3.40026 31.0394 GPRESSAVG: 2816600 38.2955 -4.54941 21.6483 -2.83269 -79.5411 -5.69468 20.4829 -3.05197 30.9976 TIMING: 2816600 CPU: 8484.97, 0.00300501/step Wall: 8484.97, 0.00300501/step, 1.82254 hours remaining, 209.199219 MB of memory in use. ENERGY: 2816600 743.6086 2068.2011 1947.1059 120.2731 -206605.7698 17937.1410 0.0000 0.0000 34022.0743 -149767.3659 297.1232 -183789.4401 -149671.9953 297.7470 84.8716 115.1317 556654.0910 -3.5012 -3.4160 PRESSURE: 2816800 -311.723 176.196 41.7151 176.196 -184.349 40.8761 41.7153 40.8747 -57.4094 GPRESSURE: 2816800 -301.739 90.1493 55.5839 186.792 -148.185 103.707 4.71792 -48.6557 -14.4256 PRESSAVG: 2816800 -12.1967 65.7433 -3.72625 65.7433 -33.5939 -23.1001 -3.72622 -23.1 16.0529 GPRESSAVG: 2816800 -13.3622 66.9794 -5.65232 65.3076 -33.226 -21.4366 -2.54987 -23.8805 16.3479 TIMING: 2816800 CPU: 8485.57, 0.00299444/step Wall: 8485.57, 0.00299444/step, 1.81596 hours remaining, 209.402344 MB of memory in use. ENERGY: 2816800 749.5953 2092.9485 1942.4000 103.6898 -205984.1787 17512.2623 0.0000 0.0000 34123.2501 -149460.0329 298.0068 -183583.2829 -149355.5363 298.0498 -184.4937 -154.7833 557836.9193 -9.9125 -10.0801 PRESSURE: 2817000 16.7142 73.0876 -19.493 73.0871 -101.17 60.6975 -19.4936 60.6966 -3.60478 GPRESSURE: 2817000 93.8438 103.226 4.07548 43.3986 -86.931 108.786 -4.00601 72.4738 15.2628 PRESSAVG: 2817000 15.4453 61.7552 37.7484 61.7552 -15.3499 67.4343 37.7485 67.4343 -4.48159 GPRESSAVG: 2817000 17.0963 62.6815 38.957 62.259 -16.2354 65.676 37.9967 69.5931 -5.21303 TIMING: 2817000 CPU: 8486.16, 0.00296685/step Wall: 8486.16, 0.00296685/step, 1.79907 hours remaining, 209.402344 MB of memory in use. ENERGY: 2817000 744.9557 2127.2913 1941.7719 103.2472 -206387.9206 17769.2780 0.0000 0.0000 34169.9305 -149531.4462 298.4145 -183701.3766 -149439.9141 298.9367 -29.3534 7.3919 556651.8673 -1.4621 -1.4507 PRESSURE: 2817200 -155.896 79.7445 7.20146 79.7435 216.021 -108.823 7.20121 -108.823 -125.248 GPRESSURE: 2817200 -144.566 146.976 53.4504 22.6926 240.498 -133.404 -12.6606 -77.3236 -46.7093 PRESSAVG: 2817200 -54.6808 44.3773 -2.49047 44.3772 -3.59284 31.3302 -2.4905 31.3302 72.2776 GPRESSAVG: 2817200 -56.6766 44.3848 -2.42157 43.5686 -2.6927 33.3055 -1.78662 30.6712 72.9463 TIMING: 2817200 CPU: 8486.76, 0.00297239/step Wall: 8486.76, 0.00297239/step, 1.80226 hours remaining, 209.402344 MB of memory in use. ENERGY: 2817200 747.3580 2082.5425 1942.4861 107.8432 -206322.9516 17675.8366 0.0000 0.0000 34331.3607 -149435.5244 299.8243 -183766.8852 -149342.2359 299.3101 -21.7078 16.4076 556440.7603 4.6680 4.5257 PRESSURE: 2817400 77.7246 -153.579 114.155 -153.579 -0.433577 -37.0988 114.157 -37.0978 222.604 GPRESSURE: 2817400 178.32 -49.6671 91.4396 -122.867 -17.5285 -123.535 154.528 -43.6654 227.647 PRESSAVG: 2817400 -7.20183 -47.2051 -38.1398 -47.205 0.852162 14.2678 -38.1398 14.2679 48.1036 GPRESSAVG: 2817400 -6.03398 -48.0557 -37.8315 -45.8562 -0.178085 12.5982 -41.2422 15.8485 47.9165 TIMING: 2817400 CPU: 8487.36, 0.00299213/step Wall: 8487.36, 0.00299213/step, 1.81406 hours remaining, 209.402344 MB of memory in use. ENERGY: 2817400 752.7827 2097.1776 1931.4740 125.6661 -206555.5168 17864.5930 0.0000 0.0000 34426.8946 -149356.9288 300.6586 -183783.8234 -149266.2527 299.3819 99.9649 129.4795 556065.2106 13.9180 13.9015 PRESSURE: 2817600 10.7717 -130.31 105.721 -130.31 259.864 -61.6439 105.72 -61.6421 -371.177 GPRESSURE: 2817600 62.7978 -74.3423 113.197 -157.547 212.41 -88.6849 115.555 -78.0227 -275.882 PRESSAVG: 2817600 16.4406 -18.7169 18.4829 -18.7169 19.152 -41.7737 18.483 -41.7737 -37.3183 GPRESSAVG: 2817600 16.265 -17.7841 19.5247 -17.9787 19.988 -39.2304 20.4513 -43.7265 -37.2605 TIMING: 2817600 CPU: 8487.95, 0.00299674/step Wall: 8487.95, 0.00299674/step, 1.81669 hours remaining, 209.402344 MB of memory in use. ENERGY: 2817600 732.7790 2053.2056 1956.4317 134.9425 -206127.8044 17740.8552 0.0000 0.0000 34124.6983 -149384.8920 298.0195 -183509.5903 -149288.0669 299.5014 -33.5136 -0.2247 557905.5677 -0.5752 -0.3359 PRESSURE: 2817800 226.455 -66.0851 76.2836 -66.0838 -107.303 94.0216 76.2842 94.022 157.141 GPRESSURE: 2817800 211.868 -20.9947 115.926 -88.8793 -34.151 30.0648 62.9738 50.6281 181.419 PRESSAVG: 2817800 -1.05802 -30.0227 55.6552 -30.0226 11.5107 3.66291 55.6551 3.66313 -24.454 GPRESSAVG: 2817800 -3.03394 -29.8851 55.6132 -30.5252 12.5832 1.36377 55.9019 2.36148 -23.7279 TIMING: 2817800 CPU: 8488.55, 0.00299527/step Wall: 8488.55, 0.00299527/step, 1.81563 hours remaining, 209.402344 MB of memory in use. ENERGY: 2817800 784.6063 2098.4553 1942.2415 133.2354 -206537.1413 17999.6339 0.0000 0.0000 34130.1178 -149448.8510 298.0668 -183578.9689 -149348.1101 298.5958 92.0976 119.7121 556698.4389 -4.6671 -4.7262 PRESSURE: 2818000 -269.122 84.8515 132.766 84.8517 71.4612 -111.002 132.766 -111.002 3.3812 GPRESSURE: 2818000 -262.109 97.0736 128.209 81.1916 134.64 -65.6946 113.319 -154.939 25.918 PRESSAVG: 2818000 2.64537 -22.4325 22.5911 -22.4325 20.8227 16.8731 22.5912 16.873 -9.23917 GPRESSAVG: 2818000 4.03079 -24.0982 20.8398 -22.7546 19.328 20.9142 23.3391 15.5405 -9.9147 TIMING: 2818000 CPU: 8489.15, 0.00296601/step Wall: 8489.15, 0.00296601/step, 1.79773 hours remaining, 209.402344 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: 2818000 786.7231 2071.5471 1933.2532 100.0001 -206525.9352 17797.4031 0.0000 0.0000 34271.4156 -149565.5930 299.3008 -183837.0086 -149474.2067 299.0242 -64.7597 -33.8503 556585.5085 4.7430 4.4814 PRESSURE: 2818200 131.622 179.69 106.751 179.69 -10.8673 74.3478 106.752 74.348 -304.044 GPRESSURE: 2818200 178.233 73.5213 60.8668 134.585 -13.7316 67.3176 129.446 10.0892 -254.738 PRESSAVG: 2818200 3.79805 46.9211 49.0045 46.9211 52.8274 -30.7437 49.0045 -30.7437 -16.2873 GPRESSAVG: 2818200 3.41327 46.5968 50.7286 46.109 53.0691 -34.4967 47.933 -29.1138 -16.4549 TIMING: 2818200 CPU: 8489.75, 0.00299721/step Wall: 8489.75, 0.00299721/step, 1.81648 hours remaining, 209.402344 MB of memory in use. ENERGY: 2818200 736.8994 2058.4075 1960.6298 107.0292 -206602.1635 17848.5619 0.0000 0.0000 34239.5582 -149651.0774 299.0226 -183890.6356 -149556.9540 298.6377 -61.0965 -30.0789 556336.4394 13.4461 13.3425 PRESSURE: 2818400 112.396 37.9323 14.0063 37.9321 210.725 -112.944 14.0048 -112.945 -61.6324 GPRESSURE: 2818400 209.322 30.5199 -41.603 -39.6506 207.628 -73.2931 14.4364 -121.349 -64.9914 PRESSAVG: 2818400 10.9834 23.9791 -43.5859 23.9791 33.568 -17.6812 -43.5859 -17.6812 -41.3521 GPRESSAVG: 2818400 10.7664 23.0995 -43.7257 25.1379 33.6629 -16.4543 -44.887 -18.0317 -40.5597 TIMING: 2818400 CPU: 8490.34, 0.002951/step Wall: 8490.34, 0.002951/step, 1.78831 hours remaining, 209.402344 MB of memory in use. ENERGY: 2818400 734.9400 2090.9479 1903.7614 120.4895 -206351.3357 17741.0409 0.0000 0.0000 34078.2038 -149681.9522 297.6134 -183760.1560 -149583.9489 298.4020 87.1627 117.3194 556087.6782 1.0664 1.2899 PRESSURE: 2818600 230.968 -88.0467 90.5545 -88.0479 417.704 -93.5952 90.5541 -93.5934 125.819 GPRESSURE: 2818600 300.373 -122.979 94.1304 -148.039 424.858 -4.90181 -25.9386 -96.1614 149.712 PRESSAVG: 2818600 42.7879 7.22604 -13.4548 7.22606 -10.3965 -22.9261 -13.4547 -22.9263 -12.881 GPRESSAVG: 2818600 43.8451 8.83661 -15.6199 7.1018 -10.1006 -22.9201 -12.3193 -23.8549 -13.6362 TIMING: 2818600 CPU: 8490.93, 0.00297711/step Wall: 8490.93, 0.00297711/step, 1.80397 hours remaining, 209.402344 MB of memory in use. ENERGY: 2818600 725.1569 2053.6813 1912.5268 111.4792 -206916.5545 18134.9211 0.0000 0.0000 34280.1967 -149698.5924 299.3775 -183978.7891 -149603.7899 297.5517 258.1640 291.6475 555265.6072 6.5035 6.7028 PRESSURE: 2818800 -163.152 -197.046 -11.8467 -197.046 249.861 -22.302 -11.8452 -22.3027 -54.9373 GPRESSURE: 2818800 -160.126 -183.63 -93.7082 -208.191 305.368 78.5975 14.5607 -99.4276 -28.1633 PRESSAVG: 2818800 -64.252 -55.3772 -24.4253 -55.3772 58.1211 -31.9207 -24.4253 -31.9207 -2.54551 GPRESSAVG: 2818800 -64.3395 -55.4508 -24.2029 -54.7064 57.5454 -33.6468 -24.8626 -28.3765 -2.25444 TIMING: 2818800 CPU: 8491.53, 0.00298828/step Wall: 8491.53, 0.00298828/step, 1.81056 hours remaining, 209.402344 MB of memory in use. ENERGY: 2818800 752.3284 2081.6632 1929.0212 111.5689 -206580.0887 17772.6229 0.0000 0.0000 34159.9597 -149772.9244 298.3274 -183932.8840 -149676.2717 297.8481 10.5907 39.0262 555017.3192 -2.8921 -3.0162 PRESSURE: 2819000 -101.209 45.9614 45.7004 45.9615 286.129 20.0087 45.7004 20.0109 -242.516 GPRESSURE: 2819000 -103.943 -7.65761 3.43671 54.8498 369.729 115.771 34.667 65.3462 -211.668 PRESSAVG: 2819000 -52.628 1.88185 -18.7204 1.88178 65.3963 22.0938 -18.7204 22.0939 -17.0616 GPRESSAVG: 2819000 -52.4553 1.12031 -18.5265 0.267089 65.6782 21.7009 -17.4993 19.9894 -16.994 TIMING: 2819000 CPU: 8492.13, 0.0029841/step Wall: 8492.13, 0.0029841/step, 1.80787 hours remaining, 209.402344 MB of memory in use. ENERGY: 2819000 713.7674 2091.6621 1929.5797 109.7884 -206512.8021 17769.7133 0.0000 0.0000 34340.6994 -149557.5919 299.9059 -183898.2913 -149463.4386 298.3311 -19.1988 18.0390 556727.1024 -1.4311 -1.2570 PRESSURE: 2819200 -47.8995 28.0409 30.1462 28.0408 -366.733 1.14078 30.1452 1.13981 -230.725 GPRESSURE: 2819200 -72.1812 -141.504 8.37537 91.86 -348.396 -21.8101 -17.89 30.6418 -139.141 PRESSAVG: 2819200 13.5043 17.4618 -22.9722 17.4618 -11.6444 0.506297 -22.9722 0.50622 -41.4734 GPRESSAVG: 2819200 11.863 18.3714 -22.0336 18.3981 -11.5212 0.0503227 -23.1927 1.98527 -40.3656 TIMING: 2819200 CPU: 8492.73, 0.00300719/step Wall: 8492.73, 0.00300719/step, 1.82169 hours remaining, 209.402344 MB of memory in use. ENERGY: 2819200 801.3216 2100.2254 1930.2711 115.7494 -206079.3931 17507.3419 0.0000 0.0000 34049.2706 -149575.2131 297.3607 -183624.4837 -149478.9768 298.9936 -215.1192 -186.5729 557028.7509 -13.2045 -13.3413 PRESSURE: 2819400 28.3462 -139.891 72.3688 -139.893 -198.595 -43.9471 72.3702 -43.9463 -19.6118 GPRESSURE: 2819400 65.4263 -47.6985 111.306 -221.332 -155.178 17.1999 13.0902 13.5712 -7.0834 PRESSAVG: 2819400 55.233 -13.1781 3.30716 -13.1782 -53.9773 -65.1491 3.30715 -65.149 -17.7968 GPRESSAVG: 2819400 55.4849 -11.8802 2.57204 -12.3583 -54.2523 -63.984 2.65111 -65.9216 -17.853 TIMING: 2819400 CPU: 8493.33, 0.00298839/step Wall: 8493.33, 0.00298839/step, 1.81013 hours remaining, 209.402344 MB of memory in use. ENERGY: 2819400 738.7248 2144.6386 1940.3873 123.6664 -206410.4089 17647.9044 0.0000 0.0000 34344.2875 -149470.7998 299.9372 -183815.0874 -149376.2541 299.1945 -63.2870 -32.2783 556212.2478 -5.5137 -5.5402 PRESSURE: 2819600 18.9296 68.5618 97.2052 68.5616 80.6634 -50.4245 97.206 -50.4237 -11.5261 GPRESSURE: 2819600 52.444 97.6692 50.468 52.9403 117.804 23.8935 95.5897 -119.883 19.6926 PRESSAVG: 2819600 -12.0181 -86.8136 -8.91274 -86.8136 -18.6637 22.1125 -8.91276 22.1126 62.36 GPRESSAVG: 2819600 -12.3079 -86.2929 -9.0205 -88.5154 -17.8478 20.1775 -8.77316 22.6303 61.3702 TIMING: 2819600 CPU: 8493.92, 0.00297321/step Wall: 8493.92, 0.00297321/step, 1.80077 hours remaining, 209.402344 MB of memory in use. ENERGY: 2819600 765.1864 2159.7182 1905.0414 102.3424 -206521.8244 17922.9670 0.0000 0.0000 34288.0764 -149378.4926 299.4463 -183666.5690 -149279.4831 299.6667 29.3556 63.3135 556022.0102 10.5594 10.4048 PRESSURE: 2819800 129.23 -104.314 65.3011 -104.314 28.7998 -123.751 65.3022 -123.749 186.737 GPRESSURE: 2819800 154.821 -137.403 1.36661 -101.284 70.281 -118.527 40.0568 -49.5784 215.807 PRESSAVG: 2819800 14.999 30.4119 -27.5172 30.4119 -46.9278 -19.8156 -27.5173 -19.8157 34.1319 GPRESSAVG: 2819800 15.1954 28.5361 -27.3521 30.711 -48.7482 -18.758 -29.0581 -20.599 35.5833 TIMING: 2819800 CPU: 8494.52, 0.00297822/step Wall: 8494.52, 0.00297822/step, 1.80364 hours remaining, 209.402344 MB of memory in use. ENERGY: 2819800 734.9631 2127.4517 1920.9887 105.7005 -206576.8954 17953.3329 0.0000 0.0000 34341.8270 -149392.6313 299.9157 -183734.4584 -149293.8207 298.7006 114.9223 146.9696 556330.3658 0.7344 0.6768 PRESSURE: 2820000 -48.6889 38.1815 150.671 38.182 -68.9542 6.58949 150.671 6.5902 195.758 GPRESSURE: 2820000 -9.45522 -50.3644 41.0548 125.116 20.1765 -17.0552 141.933 57.9847 177.448 PRESSAVG: 2820000 45.1293 6.6691 10.849 6.66916 -30.974 -7.29273 10.849 -7.29264 12.7172 GPRESSAVG: 2820000 44.3469 7.51505 9.34943 5.15302 -29.0114 -7.69663 13.9575 -5.31349 12.0769 TIMING: 2820000 CPU: 8495.11, 0.00299225/step Wall: 8495.11, 0.00299225/step, 1.81197 hours remaining, 209.402344 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: 2820000 770.5459 2097.1067 1916.3871 125.8479 -206444.7450 17957.0709 0.0000 0.0000 34178.0250 -149399.7616 298.4852 -183577.7866 -149303.8468 299.5847 26.0384 62.7231 555442.1983 8.9575 9.1375 PRESSURE: 2820200 -147.799 -154.589 46.6644 -154.589 -437.876 -177.421 46.6648 -177.423 -171.403 GPRESSURE: 2820200 -74.919 -165.533 -36.3692 -48.9958 -383.602 -88.4035 94.3171 -161.961 -201.268 PRESSAVG: 2820200 -2.61236 -25.7814 6.87583 -25.7813 -27.3852 -20.588 6.87588 -20.5879 23.0868 GPRESSAVG: 2820200 -2.08805 -27.7223 9.10063 -21.5137 -29.296 -19.7729 5.29414 -21.0816 23.962 TIMING: 2820200 CPU: 8495.71, 0.00298874/step Wall: 8495.71, 0.00298874/step, 1.80968 hours remaining, 209.402344 MB of memory in use. ENERGY: 2820200 749.9660 2098.9734 1942.2345 93.9596 -205797.8933 17380.1268 0.0000 0.0000 34235.0839 -149297.5490 298.9835 -183532.6329 -149195.7365 299.0181 -252.3596 -219.9298 558755.9494 -2.3036 -2.4740 LDB: ============= START OF LOAD BALANCING ============== 8499.23 LDB: ============== END OF LOAD BALANCING =============== 8499.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8499.23 LDB: ============= START OF LOAD BALANCING ============== 8499.53 LDB: Largest compute 4772 load 0.025681 is 21.7% of average load 0.118206 LDB: Average compute 0.001717 is 1.5% of average load 0.118206 LDB: TIME 8499.53 LOAD: AVG 0.118206 MAX 0.208049 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.488 MB LDB: TIME 8499.53 LOAD: AVG 0.118206 MAX 0.208049 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.488 MB LDB: TIME 8499.53 LOAD: AVG 0.118206 MAX 0.208049 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.488 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8499.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8499.54 PRESSURE: 2820400 -204.707 29.1345 146.008 29.1353 -296.829 -50.6239 146.008 -50.6213 -174.077 GPRESSURE: 2820400 -167.432 -3.02346 144.099 71.3155 -248.419 -91.6534 165.609 -72.0732 -157.986 PRESSAVG: 2820400 50.753 -32.8382 49.1613 -32.8382 -46.4682 -14.245 49.1613 -14.2451 3.62489 GPRESSAVG: 2820400 50.4411 -30.2757 48.9488 -34.8378 -45.3354 -15.4345 49.378 -13.9939 2.5109 TIMING: 2820400 CPU: 8496.32, 0.00303892/step Wall: 8496.32, 0.00303892/step, 1.8399 hours remaining, 209.796875 MB of memory in use. ENERGY: 2820400 768.8488 2055.0314 1918.5244 109.6024 -205871.8864 17504.6280 0.0000 0.0000 34166.0303 -149349.2211 298.3804 -183515.2514 -149255.2802 299.7763 -225.2043 -191.2789 558708.4792 2.6366 2.5389 PRESSURE: 2820600 183.569 73.6514 -16.1546 73.6524 -8.30315 -32.0877 -16.1543 -32.0865 209.564 GPRESSURE: 2820600 200.68 158.492 -98.6812 38.4279 60.3783 4.61021 -25.8589 -19.1442 212.372 PRESSAVG: 2820600 58.8462 -23.3868 39.7487 -23.3868 -16.385 38.5911 39.7488 38.5912 -5.06007 GPRESSAVG: 2820600 59.7351 -25.6865 39.1324 -21.956 -16.8011 40.0142 41.7608 38.2296 -5.41472 TIMING: 2820600 CPU: 8496.92, 0.00298982/step Wall: 8496.92, 0.00298982/step, 1.81 hours remaining, 209.867188 MB of memory in use. ENERGY: 2820600 750.2682 2056.5776 1950.9186 108.0973 -206559.6588 18032.8088 0.0000 0.0000 34226.2564 -149434.7319 298.9064 -183660.9883 -149344.0808 299.3600 128.2764 157.8102 557041.1488 12.4670 12.5064 PRESSURE: 2820800 134.062 25.6754 1.56387 25.6753 -99.537 -32.345 1.56363 -32.3466 -106.06 GPRESSURE: 2820800 164.316 64.8529 -12.292 18.0121 -90.6651 -47.7562 -4.7815 -107.149 -57.5058 PRESSAVG: 2820800 81.9144 -1.73817 29.4238 -1.73821 25.1156 9.5113 29.4237 9.5112 -68.103 GPRESSAVG: 2820800 80.7711 -0.250746 29.4911 -4.15172 26.2141 10.9742 27.0087 8.12569 -68.1231 TIMING: 2820800 CPU: 8497.51, 0.00298523/step Wall: 8497.51, 0.00298523/step, 1.80706 hours remaining, 209.867188 MB of memory in use. ENERGY: 2820800 755.9927 2058.7454 1944.4795 114.5398 -206285.1419 17916.6199 0.0000 0.0000 34197.3283 -149297.4363 298.6538 -183494.7646 -149199.0886 299.1111 -23.8451 5.3818 558326.2728 12.9756 12.9541 PRESSURE: 2821000 -21.6152 -94.5028 128.028 -94.5018 89.0123 -2.31518 128.027 -2.31466 -292.689 GPRESSURE: 2821000 43.5341 -142.695 130.51 -63.6814 112.574 51.4941 50.2439 -137.925 -293.443 PRESSAVG: 2821000 27.4465 -9.71955 -19.0429 -9.71948 85.1578 -3.50123 -19.0429 -3.50113 -67.0525 GPRESSAVG: 2821000 28.2176 -8.43866 -17.2544 -9.06093 83.4639 -4.82355 -18.1263 -2.16055 -66.6063 TIMING: 2821000 CPU: 8498.11, 0.00297267/step Wall: 8498.11, 0.00297267/step, 1.79929 hours remaining, 209.867188 MB of memory in use. ENERGY: 2821000 757.7958 2104.8899 1956.3973 104.3519 -206274.3538 17808.1879 0.0000 0.0000 34331.0144 -149211.7167 299.8213 -183542.7310 -149119.2023 299.8457 -75.0974 -45.7784 556213.9752 15.1839 15.0251 PRESSURE: 2821200 -94.1991 -60.1528 -115.13 -60.1536 63.4091 -22.9987 -115.13 -22.9982 -340.521 GPRESSURE: 2821200 -48.3724 -22.5462 -23.7023 -72.7056 124.194 -128.672 -146.995 -7.80142 -354.373 PRESSAVG: 2821200 37.291 -12.82 62.0101 -12.82 2.16297 12.4942 62.0102 12.4941 -23.6398 GPRESSAVG: 2821200 36.4248 -13.853 60.9786 -12.4952 2.14145 11.2715 62.4376 13.3786 -23.515 TIMING: 2821200 CPU: 8498.71, 0.00299459/step Wall: 8498.71, 0.00299459/step, 1.81239 hours remaining, 209.867188 MB of memory in use. ENERGY: 2821200 732.9843 2049.2904 1959.0286 119.9453 -205992.6157 17632.2427 0.0000 0.0000 34131.9105 -149367.2139 298.0825 -183499.1244 -149266.2211 299.5285 -123.7704 -92.8506 557459.2181 5.2714 5.0171 PRESSURE: 2821400 -87.998 35.3962 -33.7439 35.3977 197.389 103.941 -33.744 103.941 -414.933 GPRESSURE: 2821400 -75.1228 -4.0038 44.9375 21.5272 252.448 28.6231 -32.9219 83.6359 -382.638 PRESSAVG: 2821400 34.7303 -51.2775 40.3379 -51.2775 50.9708 2.67521 40.3379 2.67506 -113.218 GPRESSAVG: 2821400 35.1106 -50.5458 41.8547 -53.6663 51.0791 3.4252 38.4992 1.56382 -114.051 TIMING: 2821400 CPU: 8499.3, 0.00296479/step Wall: 8499.3, 0.00296479/step, 1.79419 hours remaining, 209.867188 MB of memory in use. ENERGY: 2821400 733.6502 2032.2123 1952.1369 97.3727 -206084.2378 17666.0242 0.0000 0.0000 34294.3027 -149308.5388 299.5007 -183602.8415 -149207.3713 298.6587 -101.8475 -68.4378 559028.9759 -9.1724 -9.2871 PRESSURE: 2821600 -273.08 29.6155 -105.365 29.6151 66.4265 -78.9077 -105.365 -78.9071 -53.1254 GPRESSURE: 2821600 -189.913 68.9497 -85.5532 35.9661 46.2556 -116.955 -123.075 -68.1291 -7.31789 PRESSAVG: 2821600 -13.4016 -2.87948 -15.2741 -2.87942 47.0425 8.96399 -15.2741 8.96399 -47.6556 GPRESSAVG: 2821600 -13.6558 -3.50161 -17.6175 -0.139352 47.1674 9.17721 -15.6216 7.92386 -47.1657 TIMING: 2821600 CPU: 8499.9, 0.00299589/step Wall: 8499.9, 0.00299589/step, 1.81285 hours remaining, 209.867188 MB of memory in use. ENERGY: 2821600 770.4946 2041.0442 1940.2290 123.3704 -206092.4793 17719.8926 0.0000 0.0000 34137.3940 -149360.0543 298.1304 -183497.4484 -149266.2375 298.7348 -86.5930 -50.3252 558909.0800 -4.6716 -4.5514 PRESSURE: 2821800 186.23 -233.486 35.6755 -233.487 94.6952 -108.681 35.6763 -108.683 12.2658 GPRESSURE: 2821800 261.464 -185.233 61.5726 -306.214 133.299 -30.3484 -20.8932 -196.713 -8.13581 PRESSAVG: 2821800 -48.5828 -57.574 8.43188 -57.574 59.0333 -6.00368 8.43193 -6.00376 -15.479 GPRESSAVG: 2821800 -47.9379 -58.2157 9.43194 -57.7244 58.7002 -5.61887 9.34405 -6.28872 -15.6709 TIMING: 2821800 CPU: 8500.5, 0.00301703/step Wall: 8500.5, 0.00301703/step, 1.82547 hours remaining, 209.867188 MB of memory in use. ENERGY: 2821800 750.3113 2090.9597 1942.4457 106.1400 -206410.8881 17888.3316 0.0000 0.0000 34323.8344 -149308.8654 299.7586 -183632.6998 -149213.6827 299.6489 97.7303 128.8759 557807.3454 -1.6762 -1.6362 PRESSURE: 2822000 -48.2982 -32.3156 188.65 -32.3159 -76.8323 -37.1857 188.649 -37.1856 15.9405 GPRESSURE: 2822000 -55.8166 11.2377 71.5059 -0.938951 -43.1326 -33.4092 228.113 -102.574 90.6442 PRESSAVG: 2822000 -25.6483 -17.3453 68.1834 -17.3454 9.5202 -2.05573 68.1834 -2.05573 36.0245 GPRESSAVG: 2822000 -26.3236 -17.1518 68.1271 -16.8754 10.5372 -2.42514 68.0336 -0.497203 35.7101 TIMING: 2822000 CPU: 8501.1, 0.00299688/step Wall: 8501.1, 0.00299688/step, 1.81311 hours remaining, 210.070312 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: 2822000 719.8461 2094.2899 1946.4141 120.6288 -206065.0198 17739.4003 0.0000 0.0000 34139.0336 -149305.4070 298.1447 -183444.4406 -149205.8937 299.0120 -36.3967 -2.7683 557215.8942 6.6321 6.6412 PRESSURE: 2822200 -81.7513 -1.70404 182.824 -1.7045 16.1564 -63.281 182.825 -63.2824 -28.1874 GPRESSURE: 2822200 -50.4657 -6.11152 145.439 -7.62621 44.7191 21.6188 105.967 -39.8467 2.76078 PRESSAVG: 2822200 24.9458 -23.9648 -24.3999 -23.965 -24.5996 -22.3964 -24.4 -22.3965 -16.5536 GPRESSAVG: 2822200 25.7939 -24.3874 -23.9202 -24.8601 -25.3004 -22.2903 -25.7793 -23.5173 -16.9536 TIMING: 2822200 CPU: 8501.71, 0.00302744/step Wall: 8501.71, 0.00302744/step, 1.83143 hours remaining, 210.070312 MB of memory in use. ENERGY: 2822200 729.3327 2052.8992 1931.4270 113.1092 -206088.0876 17789.7188 0.0000 0.0000 34294.0197 -149177.5810 299.4982 -183471.6007 -149082.1889 298.5828 -31.2608 -0.9953 557702.0801 -5.4025 -5.4867 PRESSURE: 2822400 -167.858 87.4311 23.1282 87.4308 -318.43 177.005 23.1292 177.006 -75.7893 GPRESSURE: 2822400 -101.502 101.724 75.9197 74.4558 -300.454 84.5152 71.9889 155.56 -73.7161 PRESSAVG: 2822400 35.4375 21.7258 1.88186 21.7258 4.00816 -27.2255 1.88191 -27.2256 -65.857 GPRESSAVG: 2822400 36.5693 21.0126 -0.785985 22.4489 2.86853 -29.5712 4.80433 -24.8746 -65.5668 TIMING: 2822400 CPU: 8502.31, 0.00300429/step Wall: 8502.31, 0.00300429/step, 1.81726 hours remaining, 210.070312 MB of memory in use. ENERGY: 2822400 735.4983 2125.9281 1926.2207 110.5955 -205881.4837 17613.7027 0.0000 0.0000 34134.7099 -149234.8287 298.1069 -183369.5385 -149144.2283 298.7457 -187.3589 -158.5572 559687.6531 -8.8038 -8.7096 PRESSURE: 2822600 6.35535 -68.9448 -108.708 -68.9452 -106.229 30.1425 -108.709 30.1423 -135.85 GPRESSURE: 2822600 -8.32221 4.97278 -69.6994 -48.4652 22.0951 79.1654 -141.756 -43.6965 -153.702 PRESSAVG: 2822600 27.0483 -21.7885 -6.29121 -21.7885 -3.2594 -1.80946 -6.29121 -1.80963 -2.55454 GPRESSAVG: 2822600 26.2944 -19.3959 -4.67862 -23.0269 -0.780642 -0.670219 -9.71756 -2.99556 -3.80268 TIMING: 2822600 CPU: 8502.91, 0.00299035/step Wall: 8502.91, 0.00299035/step, 1.80866 hours remaining, 210.070312 MB of memory in use. ENERGY: 2822600 768.7843 2135.0049 1952.4880 101.2340 -206329.7284 17847.8049 0.0000 0.0000 34350.7693 -149173.6431 299.9938 -183524.4124 -149070.2224 299.6413 -78.5746 -46.6429 558253.3728 7.0781 7.2370 PRESSURE: 2822800 291.398 52.1715 -40.6211 52.1715 187.351 176.466 -40.6216 176.466 118.855 GPRESSURE: 2822800 291.489 1.58861 -100.644 46.7082 221.731 151.078 43.1525 163.305 175.05 PRESSAVG: 2822800 36.7566 18.8873 14.9702 18.8873 -33.3688 -25.862 14.9702 -25.8621 35.9897 GPRESSAVG: 2822800 36.8451 17.2877 15.0799 20.6451 -34.2046 -26.8192 16.2232 -24.9694 36.7832 TIMING: 2822800 CPU: 8503.51, 0.00302013/step Wall: 8503.51, 0.00302013/step, 1.82651 hours remaining, 210.070312 MB of memory in use. ENERGY: 2822800 710.1982 2057.6832 1939.5873 115.2486 -206225.8654 18031.6831 0.0000 0.0000 34374.3840 -148997.0810 300.2000 -183371.4650 -148896.4486 299.3397 199.2015 229.4235 556587.2143 13.1258 13.1413 PRESSURE: 2823000 124.077 -147.747 -11.7949 -147.746 254.658 -0.924804 -11.7951 -0.923147 3.80666 GPRESSURE: 2823000 198.587 -159.248 -5.37759 -130.584 239.973 -61.846 58.0969 78.5585 40.8661 PRESSAVG: 2823000 8.54585 12.5541 -19.2847 12.5541 -43.5946 -33.208 -19.2847 -33.208 18.7434 GPRESSAVG: 2823000 8.2407 13.9188 -18.5051 12.8905 -43.9228 -32.1043 -18.9171 -35.2648 18.5973 TIMING: 2823000 CPU: 8504.12, 0.00303758/step Wall: 8504.12, 0.00303758/step, 1.83689 hours remaining, 210.070312 MB of memory in use. ENERGY: 2823000 716.6135 2079.7641 1927.8171 109.3144 -205838.3463 17882.3906 0.0000 0.0000 34234.6815 -148887.7651 298.9800 -183122.4466 -148792.7394 299.5228 127.5141 159.8090 558107.4930 -5.4351 -5.6949 PRESSURE: 2823200 60.6127 -172.288 -135.501 -172.288 -91.12 -83.6198 -135.499 -83.6194 52.4517 GPRESSURE: 2823200 102.071 -122.086 -116.674 -124.455 -91.847 -64.4512 -128.634 -70.5994 102.846 PRESSAVG: 2823200 5.39231 10.2885 1.72535 10.2886 112.74 -43.2494 1.72543 -43.2494 -94.5911 GPRESSAVG: 2823200 5.69573 9.56967 1.24639 9.46609 111.756 -43.0271 0.948959 -42.1132 -93.6849 TIMING: 2823200 CPU: 8504.73, 0.00305771/step Wall: 8504.73, 0.00305771/step, 1.84889 hours remaining, 210.070312 MB of memory in use. ENERGY: 2823200 735.9822 2077.2956 1891.7757 113.7130 -205765.7355 17717.9984 0.0000 0.0000 34278.1879 -148950.7827 299.3599 -183228.9706 -148851.4119 299.4870 7.3148 37.6899 559547.7731 7.8471 7.9222 PRESSURE: 2823400 -169.448 -0.148056 306.674 -0.147775 -205.954 92.5625 306.675 92.5623 -341.161 GPRESSURE: 2823400 -198.548 8.16069 369.314 13.2114 -162.822 42.2513 261.244 107.827 -266.078 PRESSAVG: 2823400 -12.2165 -6.62159 14.0454 -6.62154 50.8802 38.3262 14.0454 38.3262 -16.3056 GPRESSAVG: 2823400 -12.3918 -6.91828 12.8889 -5.7785 50.9357 37.4634 13.8174 37.9911 -16.2902 TIMING: 2823400 CPU: 8505.34, 0.00305909/step Wall: 8505.34, 0.00305909/step, 1.84956 hours remaining, 210.070312 MB of memory in use. ENERGY: 2823400 749.6267 2046.4041 1933.7190 117.8129 -205989.5922 17584.7388 0.0000 0.0000 34535.9804 -149021.3105 301.6113 -183557.2908 -148923.3611 300.2258 -238.8542 -209.1493 558771.3936 7.4527 7.4179 PRESSURE: 2823600 -71.6565 -35.4592 -119.943 -35.4591 137.344 -74.2488 -119.942 -74.2478 -77.5785 GPRESSURE: 2823600 -34.1637 10.7712 -144.174 -69.5716 153.529 -122.217 -38.5322 -73.8542 -43.0303 PRESSAVG: 2823600 13.8784 1.6528 25.9039 1.65279 20.297 3.50667 25.9039 3.50665 -52.4831 GPRESSAVG: 2823600 13.3243 1.92891 26.8401 -1.23636 20.7176 3.77977 26.4825 3.71169 -52.9132 TIMING: 2823600 CPU: 8505.95, 0.00302846/step Wall: 8505.95, 0.00302846/step, 1.83087 hours remaining, 210.070312 MB of memory in use. ENERGY: 2823600 769.2195 2065.9393 1944.4908 103.5123 -206254.4843 17891.2722 0.0000 0.0000 34301.3886 -149178.6616 299.5626 -183480.0502 -149088.2286 300.0856 -3.9636 25.4448 558053.3919 -6.1025 -6.2904 PRESSURE: 2823800 96.5219 -29.248 -47.442 -29.2465 269.507 -57.1867 -47.4427 -57.1867 -96.3388 GPRESSURE: 2823800 131.019 -34.2613 -23.7353 -54.7044 262.914 -15.4 -15.6316 -42.2681 -26.1406 PRESSAVG: 2823800 -1.90775 1.37095 47.931 1.37097 -32.4947 -0.6896 47.9311 -0.689708 7.72799 GPRESSAVG: 2823800 -1.2664 1.96619 47.7929 5.18405 -32.8208 0.616305 47.769 -2.5436 7.36745 TIMING: 2823800 CPU: 8506.55, 0.00298858/step Wall: 8506.55, 0.00298858/step, 1.8066 hours remaining, 210.070312 MB of memory in use. ENERGY: 2823800 720.2967 2131.3249 1938.4253 93.8417 -206319.2840 18009.8481 0.0000 0.0000 34329.7074 -149095.8398 299.8099 -183425.5473 -149004.6875 299.5860 89.8967 122.5975 557692.1781 -8.8915 -8.9066 PRESSURE: 2824000 -23.314 -30.0739 45.0916 -30.0741 -27.1401 -30.6059 45.0916 -30.6073 144.296 GPRESSURE: 2824000 36.469 37.4116 109.081 -30.2115 -25.509 -44.9595 45.5233 -75.6436 164.815 PRESSAVG: 2824000 -38.8695 41.129 -42.8635 41.1289 20.8533 -85.9195 -42.8634 -85.9195 -9.10021 GPRESSAVG: 2824000 -38.9415 40.2047 -41.3418 39.6053 20.6588 -87.6761 -40.8996 -85.8044 -8.86264 TIMING: 2824000 CPU: 8507.14, 0.00298396/step Wall: 8507.14, 0.00298396/step, 1.80364 hours remaining, 210.070312 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: 2824000 751.5851 2080.0353 1946.2722 111.1956 -205916.7415 17726.4835 0.0000 0.0000 34067.5521 -149233.6176 297.5204 -183301.1697 -149140.8799 299.9170 31.2806 58.5917 556997.2303 -9.0388 -9.0484 PRESSURE: 2824200 127.563 56.254 1.22808 56.2548 173.295 -23.0212 1.22748 -23.0222 74.8889 GPRESSURE: 2824200 180.838 -50.9041 -13.1035 111.037 120.734 8.62746 -21.6323 -21.3577 168.145 PRESSAVG: 2824200 5.60714 -78.4004 -1.42528 -78.4003 20.2034 45.8744 -1.42529 45.8744 -36.247 GPRESSAVG: 2824200 4.04352 -77.0419 -1.58495 -77.6318 20.0911 45.3024 -4.55013 45.8098 -34.9321 TIMING: 2824200 CPU: 8507.74, 0.00297505/step Wall: 8507.74, 0.00297505/step, 1.79809 hours remaining, 210.070312 MB of memory in use. ENERGY: 2824200 782.7636 2084.2014 1929.8769 94.3842 -206608.5028 18012.5649 0.0000 0.0000 34406.7099 -149298.0018 300.4824 -183704.7118 -149204.1647 299.7136 125.2488 156.5724 556347.3693 -3.4788 -3.5991 LDB: ============= START OF LOAD BALANCING ============== 8511.25 LDB: ============== END OF LOAD BALANCING =============== 8511.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8511.25 LDB: ============= START OF LOAD BALANCING ============== 8511.55 LDB: Largest compute 4794 load 0.025338 is 21.5% of average load 0.118093 LDB: Average compute 0.001725 is 1.5% of average load 0.118093 LDB: TIME 8511.55 LOAD: AVG 0.118093 MAX 0.205157 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.414 MB LDB: TIME 8511.55 LOAD: AVG 0.118093 MAX 0.205157 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.555 MB LDB: TIME 8511.55 LOAD: AVG 0.118093 MAX 0.205157 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.555 MB LDB: ============== END OF LOAD BALANCING =============== 8511.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8511.56 PRESSURE: 2824400 -203.391 -44.1252 118.79 -44.1251 -81.0349 14.3991 118.791 14.3983 95.9546 GPRESSURE: 2824400 -109.773 -66.2927 147.565 -21.0549 -98.2283 146.254 19.6083 -26.0004 111.346 PRESSAVG: 2824400 72.868 -26.4706 5.67725 -26.4705 -8.20426 -34.4111 5.67721 -34.4111 -1.42782 GPRESSAVG: 2824400 74.0528 -27.1276 6.36318 -27.7182 -8.43618 -32.6027 4.24103 -34.5901 -2.41142 TIMING: 2824400 CPU: 8508.34, 0.00301334/step Wall: 8508.34, 0.00301334/step, 1.82106 hours remaining, 210.000000 MB of memory in use. ENERGY: 2824400 786.7138 2111.6085 1912.6558 114.1549 -205912.5056 17484.3964 0.0000 0.0000 34293.9165 -149209.0597 299.4973 -183502.9762 -149118.9936 299.4810 -62.8238 -32.2184 554587.4289 21.0786 21.0684 PRESSURE: 2824600 30.8139 5.09249 124.375 5.09284 56.2236 76.9461 124.374 76.9466 91.6386 GPRESSURE: 2824600 30.673 25.123 119.471 36.5685 150.367 16.3206 90.4324 67.2895 98.6497 PRESSAVG: 2824600 -36.0755 -54.0554 6.35285 -54.0553 -17.2496 -17.0354 6.35272 -17.0354 39.4691 GPRESSAVG: 2824600 -35.2928 -54.7154 4.236 -53.2893 -17.8098 -14.4655 7.77695 -18.3036 38.9311 TIMING: 2824600 CPU: 8508.94, 0.00300744/step Wall: 8508.94, 0.00300744/step, 1.81733 hours remaining, 210.402344 MB of memory in use. ENERGY: 2824600 721.5367 2103.3925 1947.2328 103.4299 -206095.1624 17743.3650 0.0000 0.0000 34334.4657 -149141.7398 299.8514 -183476.2054 -149048.7053 299.8474 59.5587 93.2297 555555.0546 -4.6187 -4.7239 PRESSURE: 2824800 -163.991 25.5184 -78.4743 25.518 -453.019 116.866 -78.4737 116.867 -406.501 GPRESSURE: 2824800 -137.143 56.8731 -157.791 137.811 -437.414 68.9286 -22.0255 136.233 -351.835 PRESSAVG: 2824800 77.0423 25.7474 24.7854 25.7473 17.8871 -41.6891 24.7853 -41.689 -101.036 GPRESSAVG: 2824800 75.5208 27.2938 25.3633 25.3433 19.2664 -44.4068 25.8815 -40.0591 -101.004 TIMING: 2824800 CPU: 8509.54, 0.00299959/step Wall: 8509.54, 0.00299959/step, 1.81242 hours remaining, 210.402344 MB of memory in use. ENERGY: 2824800 772.5331 2062.6627 1914.6305 127.3629 -205740.3012 17434.3264 0.0000 0.0000 34224.3253 -149204.4602 298.8895 -183428.7855 -149102.5061 299.6704 -341.1704 -308.7976 558581.8389 -2.0356 -2.0724 PRESSURE: 2825000 -500.252 -128.108 -39.7032 -128.108 293.773 -14.5511 -39.7035 -14.5518 -182.145 GPRESSURE: 2825000 -444.975 -196.757 -64.8285 -38.1637 320.053 4.8063 22.8659 -98.4271 -171.509 PRESSAVG: 2825000 10.6001 27.5517 -27.4899 27.5517 44.5516 -19.5203 -27.4899 -19.5204 -15.236 GPRESSAVG: 2825000 10.7686 24.9511 -28.0279 28.9563 44.1244 -18.9811 -25.1947 -19.2025 -14.4856 TIMING: 2825000 CPU: 8510.15, 0.00302496/step Wall: 8510.15, 0.00302496/step, 1.82758 hours remaining, 210.402344 MB of memory in use. ENERGY: 2825000 772.4641 2075.1198 1965.3511 110.9569 -206173.9056 17863.8479 0.0000 0.0000 34309.6989 -149076.4669 299.6351 -183386.1658 -148986.1760 299.4614 -129.5413 -98.8106 559580.3586 13.3052 13.4692 PRESSURE: 2825200 -34.5601 -283.162 58.8091 -283.162 -185.05 5.25399 58.809 5.25554 -29.7505 GPRESSURE: 2825200 31.0431 -270.242 66.9635 -224.106 -130.062 -31.1594 88.9657 33.4459 -47.2038 PRESSAVG: 2825200 -42.6054 16.5083 5.24596 16.5084 23.5796 8.79542 5.24593 8.79543 3.3294 GPRESSAVG: 2825200 -41.5648 17.5335 5.39673 15.3724 22.8867 7.70855 3.15917 9.17405 3.27537 TIMING: 2825200 CPU: 8510.74, 0.00298858/step Wall: 8510.74, 0.00298858/step, 1.80544 hours remaining, 210.402344 MB of memory in use. ENERGY: 2825200 781.4426 2128.0432 1932.6753 111.7657 -206051.7735 17752.3902 0.0000 0.0000 34348.3892 -148997.0674 299.9730 -183345.4566 -148905.9514 300.1125 -83.1204 -48.7408 557967.4008 -5.2321 -5.1342 PRESSURE: 2825400 -50.9086 7.32364 81.6701 7.32318 32.3709 163.545 81.6697 163.546 -51.8708 GPRESSURE: 2825400 39.1375 48.9675 13.6299 -50.7452 -18.6932 119.928 101.177 157.161 -1.80019 PRESSAVG: 2825400 -14.7525 -5.38982 20.9795 -5.3898 20.0979 17.9276 20.9795 17.9276 44.7191 GPRESSAVG: 2825400 -14.2908 -5.6094 22.7785 -3.0229 20.5138 18.1963 20.5621 17.6944 43.8433 TIMING: 2825400 CPU: 8511.33, 0.00294518/step Wall: 8511.33, 0.00294518/step, 1.77905 hours remaining, 210.402344 MB of memory in use. ENERGY: 2825400 717.4565 2118.2958 1943.5700 119.6132 -206092.6468 17807.9902 0.0000 0.0000 34412.1064 -148973.6146 300.5295 -183385.7210 -148879.8046 299.1539 -23.4695 6.2147 557830.1704 16.6882 16.6888 PRESSURE: 2825600 -165.369 25.5193 213.196 25.5181 34.3736 -76.9804 213.196 -76.9784 -50.189 GPRESSURE: 2825600 -99.7741 -9.56689 132.842 22.6743 45.9603 -35.2441 231.79 -110.599 -33.212 PRESSAVG: 2825600 -62.495 25.4442 -19.762 25.4442 32.5424 -50.012 -19.762 -50.012 -15.4719 GPRESSAVG: 2825600 -63.6814 25.9615 -19.8241 23.3497 30.9037 -49.7787 -19.5631 -51.536 -12.5249 TIMING: 2825600 CPU: 8511.93, 0.00296478/step Wall: 8511.93, 0.00296478/step, 1.79072 hours remaining, 210.402344 MB of memory in use. ENERGY: 2825600 791.0571 2082.0229 1966.6305 115.6287 -205936.1191 17667.2186 0.0000 0.0000 34211.9005 -149101.6609 298.7810 -183313.5614 -149004.8394 300.2640 -60.3949 -29.0086 557916.2452 -15.1415 -15.1009 PRESSURE: 2825800 -298.185 -26.7525 38.9351 -26.7524 -343.583 84.9525 38.9347 84.9527 -312.955 GPRESSURE: 2825800 -265.274 18.3277 -22.8314 4.73428 -290.375 87.8447 51.8473 43.043 -295.388 PRESSAVG: 2825800 1.894 -4.72462 -2.81463 -4.72476 17.9231 18.2464 -2.81467 18.2464 -30.2486 GPRESSAVG: 2825800 2.701 -5.06675 -5.16581 -3.81775 19.5905 17.1101 -2.37773 18.971 -32.5627 TIMING: 2825800 CPU: 8512.52, 0.00296083/step Wall: 8512.52, 0.00296083/step, 1.78818 hours remaining, 210.402344 MB of memory in use. ENERGY: 2825800 776.9823 2095.0614 1930.8297 122.2796 -206260.0165 17629.8945 0.0000 0.0000 34498.5333 -149206.4356 301.2843 -183704.9690 -149108.4821 300.4539 -318.2410 -283.6793 558799.9871 -3.4772 -3.4237 PRESSURE: 2826000 191.277 34.6506 45.0394 34.6516 -133.352 72.0598 45.0398 72.061 -283.903 GPRESSURE: 2826000 244.713 -15.4525 45.694 58.4523 -118.496 -6.23772 85.7165 88.946 -257.769 PRESSAVG: 2826000 -56.0261 -10.4054 12.1062 -10.4054 78.0128 7.1443 12.1063 7.14433 -28.0527 GPRESSAVG: 2826000 -55.7913 -9.8313 13.4071 -9.64441 78.0625 6.91149 12.4322 8.51719 -28.1065 TIMING: 2826000 CPU: 8513.12, 0.00302425/step Wall: 8513.12, 0.00302425/step, 1.82631 hours remaining, 210.402344 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: 2826000 745.8202 2110.5168 1944.9817 118.1242 -205954.5251 17615.1812 0.0000 0.0000 34330.9234 -149088.9777 299.8205 -183419.9011 -148983.8875 300.1212 -75.3260 -43.8507 556830.0601 -2.0220 -1.9451 PRESSURE: 2826200 168.4 65.8814 -24.1141 65.8821 164.441 76.9394 -24.1147 76.9378 120.207 GPRESSURE: 2826200 253.597 89.2969 16.8788 57.2838 147.289 128.456 -61.4526 74.9818 161.028 PRESSAVG: 2826200 4.97005 20.7904 12.0291 20.7903 0.488725 -31.5351 12.029 -31.5352 -28.9229 GPRESSAVG: 2826200 6.30302 20.9482 13.595 18.7647 -0.633411 -30.861 11.5505 -31.814 -28.3209 TIMING: 2826200 CPU: 8513.72, 0.0030041/step Wall: 8513.72, 0.0030041/step, 1.81397 hours remaining, 210.402344 MB of memory in use. ENERGY: 2826200 748.4977 2098.7823 1930.4602 99.5565 -206211.3420 17958.8428 0.0000 0.0000 34244.7256 -149130.4768 299.0677 -183375.2025 -149025.9845 299.2403 151.0161 187.3048 555961.4876 -7.8214 -7.5504 PRESSURE: 2826400 111.57 -70.9966 92.6265 -70.9963 329.298 -79.0594 92.6261 -79.058 34.8682 GPRESSURE: 2826400 134.233 -65.1554 40.4893 -118.94 372.991 -95.8242 12.1682 12.2809 60.7058 PRESSAVG: 2826400 6.70526 24.956 24.1788 24.956 -0.315429 -7.19574 24.1788 -7.19565 -26.051 GPRESSAVG: 2826400 5.10922 25.7774 23.3048 25.2228 1.52131 -7.25056 21.9949 -7.52783 -26.0936 TIMING: 2826400 CPU: 8514.32, 0.00296843/step Wall: 8514.32, 0.00296843/step, 1.79227 hours remaining, 210.402344 MB of memory in use. ENERGY: 2826400 705.4891 2105.6605 1935.2210 113.8354 -206117.4533 17955.8608 0.0000 0.0000 34165.7340 -149135.6526 298.3779 -183301.3865 -149043.6994 299.7655 158.5785 189.3100 557045.9640 -6.5537 -6.4877 PRESSURE: 2826600 -99.4846 -32.4025 -158.602 -32.4034 20.6498 32.1858 -158.604 32.186 -112.898 GPRESSURE: 2826600 -91.7552 -20.5176 -132.969 -13.3545 -13.4483 -46.8419 -139.026 35.5487 3.0734 PRESSAVG: 2826600 -23.2457 38.4943 31.7135 38.4943 60.1739 -56.4579 31.7135 -56.4578 -54.6437 GPRESSAVG: 2826600 -21.8793 37.0807 29.5183 40.4008 59.0487 -57.3173 34.765 -55.7353 -55.3886 TIMING: 2826600 CPU: 8514.92, 0.00300109/step Wall: 8514.92, 0.00300109/step, 1.81183 hours remaining, 210.402344 MB of memory in use. ENERGY: 2826600 747.4332 2089.7252 1913.1760 119.2408 -206144.0203 17880.9410 0.0000 0.0000 34373.7595 -149019.7446 300.1946 -183393.5041 -148918.5229 299.7250 -63.9110 -34.0434 557818.0254 -5.9051 -6.0731 PRESSURE: 2826800 -113.932 -28.2165 75.5809 -28.2184 -14.3527 56.4173 75.5818 56.4181 -33.9155 GPRESSURE: 2826800 -58.9098 24.4345 45.9976 -31.5213 56.2982 104.367 130.862 30.6471 -69.1621 PRESSAVG: 2826800 -20.405 -50.2169 55.4014 -50.2169 21.3126 9.76132 55.4013 9.76146 -1.06023 GPRESSAVG: 2826800 -22.8562 -49.7612 55.7677 -50.8324 22.658 10.5156 53.7216 10.4806 -0.704963 TIMING: 2826800 CPU: 8515.53, 0.00304104/step Wall: 8515.53, 0.00304104/step, 1.83577 hours remaining, 210.402344 MB of memory in use. ENERGY: 2826800 734.4810 2054.8575 1926.3688 103.7329 -206243.6410 17815.3115 0.0000 0.0000 34514.0512 -149094.8381 301.4198 -183608.8894 -149001.3286 299.7768 -54.0666 -23.9246 557978.5313 -0.0509 -0.3011 PRESSURE: 2827000 30.5066 -3.39961 -65.3437 -3.39954 -109.736 64.962 -65.3429 64.9616 62.7044 GPRESSURE: 2827000 39.1174 -40.6591 -124.454 -50.2668 -65.2719 150.251 -35.811 -52.2673 106.908 PRESSAVG: 2827000 -30.6729 -50.3387 -19.0554 -50.3384 24.9904 -8.6933 -19.0554 -8.69338 17.8533 GPRESSAVG: 2827000 -30.1296 -49.0863 -18.605 -51.3987 24.4741 -8.19559 -18.4029 -11.9315 17.7169 TIMING: 2827000 CPU: 8516.12, 0.00298684/step Wall: 8516.12, 0.00298684/step, 1.80289 hours remaining, 210.402344 MB of memory in use. ENERGY: 2827000 693.0169 2042.8616 1937.1796 125.0707 -205896.7159 17646.0155 0.0000 0.0000 34333.6314 -149118.9401 299.8441 -183452.5715 -149024.3414 298.9384 -5.5084 26.9179 557153.9776 4.0569 4.0204 PRESSURE: 2827200 32.8282 185.674 98.3712 185.674 -165.031 17.2565 98.3703 17.2579 -43.1917 GPRESSURE: 2827200 82.8757 137.88 185.299 181.479 -117.108 58.0047 68.316 -4.68715 -54.9362 PRESSAVG: 2827200 24.4276 -19.1347 39.4033 -19.1346 38.2619 21.5238 39.4033 21.5239 -72.164 GPRESSAVG: 2827200 25.038 -18.883 39.7569 -19.3437 38.3135 22.6895 37.0656 22.7237 -72.7393 TIMING: 2827200 CPU: 8516.73, 0.0030142/step Wall: 8516.73, 0.0030142/step, 1.81924 hours remaining, 210.402344 MB of memory in use. ENERGY: 2827200 711.3334 2081.2350 1904.4980 115.5119 -206171.6053 17710.2500 0.0000 0.0000 34429.7983 -149218.9787 300.6840 -183648.7770 -149115.5101 299.0716 -58.4648 -29.7228 557704.6498 -3.1582 -3.1293 PRESSURE: 2827400 -47.2495 -26.2886 4.98929 -26.2879 -126.109 66.0838 4.99001 66.0834 -298.407 GPRESSURE: 2827400 -53.7977 -24.4971 73.1432 -84.3985 -59.8599 92.2756 37.5972 78.4792 -253.902 PRESSAVG: 2827400 32.2271 -2.13903 -1.4087 -2.13904 26.7892 2.11596 -1.40861 2.11598 -76.8627 GPRESSAVG: 2827400 31.4067 -4.29793 -0.875943 -1.43655 27.2012 1.4447 0.284724 2.87214 -75.8503 TIMING: 2827400 CPU: 8517.33, 0.00300978/step Wall: 8517.33, 0.00300978/step, 1.8164 hours remaining, 210.402344 MB of memory in use. ENERGY: 2827400 765.5100 2080.8694 1914.7397 121.1751 -205903.3698 17627.6574 0.0000 0.0000 34225.1506 -149168.2675 298.8968 -183393.4182 -149072.5049 299.7578 -157.2548 -122.5199 557917.3311 -5.9488 -5.7475 PRESSURE: 2827600 -102.606 83.0398 -112.519 83.0402 -75.2761 -16.4384 -112.518 -16.4385 -317.219 GPRESSURE: 2827600 -37.3893 100.04 -125.521 14.8944 -107.312 -12.7361 -76.9026 -29.2902 -247.39 PRESSAVG: 2827600 43.5809 -4.36972 -28.128 -4.36977 -23.4069 0.34838 -28.128 0.348365 -24.1549 GPRESSAVG: 2827600 45.5379 -3.00548 -30.1731 -3.25814 -24.1038 0.826711 -28.2093 -1.28183 -25.2999 TIMING: 2827600 CPU: 8517.93, 0.00299796/step Wall: 8517.93, 0.00299796/step, 1.8091 hours remaining, 210.402344 MB of memory in use. ENERGY: 2827600 749.1228 2027.7915 1935.5770 96.8325 -205597.6132 17515.2488 0.0000 0.0000 34114.9539 -149158.0867 297.9344 -183273.0406 -149066.2049 300.1981 -165.0337 -130.6971 558260.7085 -1.3270 -1.2886 PRESSURE: 2827800 274.765 -59.926 186.904 -59.9256 1.9838 -81.3699 186.904 -81.3685 -228.851 GPRESSURE: 2827800 312.718 -55.8955 197.179 -8.70943 25.2036 -132.231 191.521 -136.641 -203.144 PRESSAVG: 2827800 17.2985 13.3035 -13.5894 13.3035 -36.8045 25.5203 -13.5895 25.5202 -16.5789 GPRESSAVG: 2827800 16.6632 12.6035 -12.4352 11.0304 -36.4209 24.4589 -13.6109 26.0132 -15.7259 TIMING: 2827800 CPU: 8518.53, 0.00299241/step Wall: 8518.53, 0.00299241/step, 1.80558 hours remaining, 210.402344 MB of memory in use. ENERGY: 2827800 726.4781 2070.6585 1931.0072 105.9783 -205964.8916 17848.2614 0.0000 0.0000 34141.2089 -149141.2992 298.1637 -183282.5082 -149045.7689 299.4142 15.9661 44.9257 558841.6987 -12.0283 -11.8279 PRESSURE: 2828000 91.347 112.668 -1.15222 112.668 99.3582 -56.4877 -1.15359 -56.487 -36.1441 GPRESSURE: 2828000 83.5857 102.456 53.9786 60.4209 160.692 -52.4339 -5.98662 -15.7585 12.9361 PRESSAVG: 2828000 -15.9183 24.0654 41.1475 24.0654 13.0766 -7.71973 41.1475 -7.71966 58.1106 GPRESSAVG: 2828000 -14.646 25.2798 40.6507 24.5419 12.8013 -6.28754 40.9571 -7.39762 56.664 TIMING: 2828000 CPU: 8519.13, 0.00301234/step Wall: 8519.13, 0.00301234/step, 1.81744 hours remaining, 210.402344 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: 2828000 693.0482 2046.2635 1932.5885 119.3075 -206109.7388 17752.8818 0.0000 0.0000 34390.6829 -149174.9665 300.3424 -183565.6494 -149087.9535 299.7689 51.5203 85.7381 556473.2502 18.4229 18.2731 PRESSURE: 2828200 24.4971 53.3969 -38.9259 53.3972 -79.7823 56.5115 -38.9259 56.5119 58.4856 GPRESSURE: 2828200 88.3073 13.7265 -6.56981 76.8032 -33.3003 95.6177 -72.6687 46.39 51.1828 PRESSAVG: 2828200 14.3199 25.9553 51.7147 25.9554 -60.9308 -28.0622 51.7147 -28.0621 45.6921 GPRESSAVG: 2828200 13.7559 25.5121 49.4834 26.5291 -60.6948 -30.1488 51.9086 -28.1827 46.1507 TIMING: 2828200 CPU: 8519.73, 0.00302504/step Wall: 8519.73, 0.00302504/step, 1.82494 hours remaining, 210.402344 MB of memory in use. ENERGY: 2828200 720.4442 2090.8326 1935.0107 102.6262 -205896.9852 17635.5416 0.0000 0.0000 34320.5200 -149092.0100 299.7296 -183412.5300 -148989.6658 299.4555 1.0668 35.3966 557125.8017 -0.3063 -0.2628 LDB: ============= START OF LOAD BALANCING ============== 8523.25 LDB: ============== END OF LOAD BALANCING =============== 8523.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8523.25 LDB: ============= START OF LOAD BALANCING ============== 8523.56 LDB: Largest compute 4794 load 0.024676 is 20.9% of average load 0.118155 LDB: Average compute 0.001726 is 1.5% of average load 0.118155 LDB: TIME 8523.56 LOAD: AVG 0.118155 MAX 0.21097 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.164 MB LDB: TIME 8523.56 LOAD: AVG 0.118155 MAX 0.21097 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.223 MB LDB: TIME 8523.56 LOAD: AVG 0.118155 MAX 0.21097 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.223 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8523.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8523.57 PRESSURE: 2828400 19.3117 83.1867 -93.2818 83.1877 -12.6906 111.409 -93.2817 111.409 -73.2005 GPRESSURE: 2828400 85.0974 128.573 -46.9844 56.8181 33.8498 190.764 -77.0013 38.0317 -80.6245 PRESSAVG: 2828400 -2.948 9.66155 22.172 9.66161 52.8693 18.4072 22.1721 18.4072 -59.2485 GPRESSAVG: 2828400 -4.47082 9.34527 24.94 10.4046 53.4735 20.571 22.2762 17.9708 -58.353 TIMING: 2828400 CPU: 8520.35, 0.0030948/step Wall: 8520.35, 0.0030948/step, 1.86685 hours remaining, 210.738281 MB of memory in use. ENERGY: 2828400 793.8456 2073.5424 1902.7315 98.3219 -206365.7419 17877.4926 0.0000 0.0000 34323.6943 -149296.1136 299.7574 -183619.8079 -149204.4621 299.1061 -22.1931 12.7742 557058.3170 -3.1091 -3.1168 PRESSURE: 2828600 26.1148 -89.1313 120.469 -89.1303 281.861 81.6902 120.469 81.6891 374.997 GPRESSURE: 2828600 126.858 -144.304 178.752 -75.6205 313.994 3.4808 35.8015 31.9523 335.354 PRESSAVG: 2828600 3.02525 -5.45227 -1.30341 -5.45233 18.8698 26.607 -1.30343 26.6069 17.2765 GPRESSAVG: 2828600 3.49468 -6.23004 0.404134 -6.64703 19.6498 23.933 -2.27672 28.9343 15.8358 TIMING: 2828600 CPU: 8520.96, 0.0030414/step Wall: 8520.96, 0.0030414/step, 1.83447 hours remaining, 210.738281 MB of memory in use. ENERGY: 2828600 738.3642 2072.5461 1925.3098 113.6699 -206641.4241 18197.3249 0.0000 0.0000 34323.9876 -149270.2216 299.7599 -183594.2092 -149171.4048 299.4005 227.6574 258.7354 557185.0976 13.0572 12.9934 PRESSURE: 2828800 92.884 -134.256 -172.355 -134.256 80.214 80.6243 -172.356 80.6228 -33.6857 GPRESSURE: 2828800 58.4094 -130.143 -137.383 -94.8364 154.408 174.244 -156.157 67.4466 14.9642 PRESSAVG: 2828800 -35.9886 -34.3233 -2.1453 -34.3233 49.1294 -13.0584 -2.14533 -13.0585 -4.8732 GPRESSAVG: 2828800 -35.7465 -33.036 -3.44382 -33.4252 47.6961 -11.6784 -2.51413 -12.8534 -3.52606 TIMING: 2828800 CPU: 8521.57, 0.00303947/step Wall: 8521.57, 0.00303947/step, 1.83314 hours remaining, 210.738281 MB of memory in use. ENERGY: 2828800 753.1545 2072.9154 1938.9647 114.7007 -206152.1463 17840.9878 0.0000 0.0000 34224.7553 -149206.6680 298.8933 -183431.4232 -149111.5878 299.3931 46.4708 75.9273 558921.6953 2.7559 2.8078 PRESSURE: 2829000 50.8623 -6.5553 39.2661 -6.5551 109.241 -73.5207 39.2671 -73.521 1.85508 GPRESSURE: 2829000 77.623 -18.0405 -35.922 55.7468 134.23 -27.7693 70.4369 -5.3646 47.8721 PRESSAVG: 2829000 11.7629 12.4292 35.852 12.4291 12.3255 35.8767 35.852 35.8767 -80.7112 GPRESSAVG: 2829000 11.9023 12.0071 33.3875 12.9597 12.9654 35.2764 36.9293 34.3413 -81.1149 TIMING: 2829000 CPU: 8522.17, 0.00300748/step Wall: 8522.17, 0.00300748/step, 1.81368 hours remaining, 210.738281 MB of memory in use. ENERGY: 2829000 753.5553 2136.1490 1930.5941 116.0123 -206616.1873 18009.0600 0.0000 0.0000 34264.4301 -149406.3863 299.2398 -183670.8164 -149303.6753 299.0548 53.9861 86.5752 556709.9887 -18.8743 -18.7491 PRESSURE: 2829200 -31.0047 -100.219 122.054 -100.22 -184.565 7.96782 122.054 7.96588 8.75646 GPRESSURE: 2829200 29.8908 -78.4748 170.369 -89.8663 -193.774 45.5896 55.0769 -70.2282 54.712 PRESSAVG: 2829200 16.1008 -26.6076 -28.5231 -26.6076 26.0209 14.7609 -28.5231 14.7608 10.1686 GPRESSAVG: 2829200 16.3939 -26.1262 -26.8404 -27.1365 25.9538 15.8474 -29.3519 14.8408 10.262 TIMING: 2829200 CPU: 8522.78, 0.00302589/step Wall: 8522.78, 0.00302589/step, 1.82461 hours remaining, 210.738281 MB of memory in use. ENERGY: 2829200 744.1550 2077.0120 1928.6121 119.2375 -206352.3025 17812.2758 0.0000 0.0000 34098.1405 -149572.8696 297.7875 -183671.0101 -149478.0938 299.2538 -68.9378 -36.3905 557693.5024 17.4301 17.5366 PRESSURE: 2829400 64.7082 86.6783 -124.238 86.6761 -41.4471 14.9667 -124.238 14.9667 -276.703 GPRESSURE: 2829400 59.0765 67.9299 -152.389 113.97 18.4412 16.1382 -142.785 -37.3038 -232.165 PRESSAVG: 2829400 -3.79602 -15.4784 10.238 -15.4785 23.4308 46.8686 10.2379 46.8686 -26.3256 GPRESSAVG: 2829400 -3.48703 -14.984 7.94776 -15.6577 23.4164 46.997 11.9144 46.1 -25.9027 TIMING: 2829400 CPU: 8523.39, 0.00306458/step Wall: 8523.39, 0.00306458/step, 1.84777 hours remaining, 210.738281 MB of memory in use. ENERGY: 2829400 749.7008 2041.4065 1939.5754 110.9309 -206433.0274 17806.0250 0.0000 0.0000 34116.9448 -149668.4440 297.9518 -183785.3888 -149572.4577 298.0530 -84.4807 -51.5491 557363.8853 -2.2303 -1.9911 PRESSURE: 2829600 -36.1898 96.9357 -58.4868 96.9354 -183.519 -93.7611 -58.4864 -93.7623 -115.954 GPRESSURE: 2829600 -19.8388 86.4327 -122.25 32.131 -156.238 -22.6011 5.4804 -152.981 -64.0688 PRESSAVG: 2829600 53.874 11.6504 -52.089 11.6504 28.37 57.0813 -52.089 57.0813 -49.2141 GPRESSAVG: 2829600 54.5823 10.8947 -50.6242 13.1852 28.4649 56.9248 -53.9122 57.844 -49.4775 TIMING: 2829600 CPU: 8524, 0.0030495/step Wall: 8524, 0.0030495/step, 1.83851 hours remaining, 210.738281 MB of memory in use. ENERGY: 2829600 788.7243 2139.9127 1937.6399 114.0155 -206210.1928 17596.5628 0.0000 0.0000 33917.1410 -149716.1965 296.2068 -183633.3375 -149627.9600 298.3027 -111.8877 -80.0484 557862.3128 11.0099 11.1899 PRESSURE: 2829800 -2.12165 184.085 -49.7498 184.083 -78.5075 -62.8522 -49.7506 -62.852 -50.8808 GPRESSURE: 2829800 57.5349 231.283 -145.112 157.456 -13.4819 -171.324 14.9871 -48.2623 -75.5371 PRESSAVG: 2829800 -21.1998 3.38069 42.044 3.38064 31.1131 -43.4488 42.0439 -43.4489 -20.2122 GPRESSAVG: 2829800 -22.0955 3.47459 40.4319 3.70093 31.4947 -44.3813 42.2232 -41.9051 -19.7303 TIMING: 2829800 CPU: 8524.6, 0.00301789/step Wall: 8524.6, 0.00301789/step, 1.81929 hours remaining, 210.738281 MB of memory in use. ENERGY: 2829800 780.8805 2077.6060 1953.7139 114.1362 -206054.7933 17470.2188 0.0000 0.0000 34039.6252 -149618.6128 297.2765 -183658.2381 -149525.8633 298.0741 -43.8366 -10.4947 556193.1323 -3.4329 -3.4437 PRESSURE: 2830000 92.4498 12.3597 121.321 12.3587 3.32586 18.5219 121.32 18.5221 -82.434 GPRESSURE: 2830000 94.5531 72.5758 60.9735 3.81797 -6.75372 80.5882 84.2812 -37.2958 20.6536 PRESSAVG: 2830000 24.7664 -0.252517 -40.3536 -0.252441 23.5746 -2.97771 -40.3536 -2.97787 -5.82598 GPRESSAVG: 2830000 25.9654 -1.28139 -38.4107 -3.66073 22.8353 -1.22947 -39.5888 -3.34899 -6.52057 TIMING: 2830000 CPU: 8525.21, 0.00301607/step Wall: 8525.21, 0.00301607/step, 1.81802 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: 2830000 767.3579 2060.4195 1953.2532 109.4152 -206385.2772 17904.8673 0.0000 0.0000 34066.9653 -149522.9989 297.5153 -183589.9642 -149424.8078 298.3189 4.4472 36.1510 556863.5263 14.1717 14.0934 PRESSURE: 2830200 56.6234 130.284 24.7354 130.285 -221.782 72.4094 24.7344 72.4109 -86.4982 GPRESSURE: 2830200 71.7001 178.746 22.5675 73.3494 -173.925 35.9189 36.4866 188.507 -38.9379 PRESSAVG: 2830200 -63.4461 -20.7274 45.0588 -20.7273 -2.6915 7.98204 45.0589 7.98207 76.7345 GPRESSAVG: 2830200 -63.4493 -20.5512 44.582 -18.0928 -2.60387 8.54727 42.1735 5.40409 76.5656 TIMING: 2830200 CPU: 8525.81, 0.00302675/step Wall: 8525.81, 0.00302675/step, 1.82429 hours remaining, 210.941406 MB of memory in use. ENERGY: 2830200 786.5223 2067.5788 1935.5158 119.8263 -206874.2898 18091.6539 0.0000 0.0000 34222.5727 -149650.6201 298.8742 -183873.1928 -149553.6739 298.1931 -83.8855 -47.0543 559150.1021 3.5323 3.5042 PRESSURE: 2830400 -131.523 -50.7954 51.7426 -50.7951 -116.097 89.974 51.7419 89.974 137.347 GPRESSURE: 2830400 -103.135 -15.7196 73.9419 -56.0455 -103.768 44.5855 36.2808 93.2257 187.258 PRESSAVG: 2830400 0.981653 -19.2192 17.3238 -19.2191 -62.5782 27.7357 17.3237 27.7357 64.9113 GPRESSAVG: 2830400 0.201364 -18.6677 17.5421 -22.3741 -62.492 24.1707 19.0666 29.651 65.4192 TIMING: 2830400 CPU: 8526.41, 0.00299054/step Wall: 8526.41, 0.00299054/step, 1.8023 hours remaining, 210.941406 MB of memory in use. ENERGY: 2830400 764.4596 2034.6711 1938.7858 125.4649 -206705.3494 17934.6281 0.0000 0.0000 34260.9827 -149646.3572 299.2097 -183907.3399 -149552.0621 297.6675 -36.7575 -6.5483 557746.4108 1.1049 1.0428 PRESSURE: 2830600 165.866 205.509 49.2832 205.51 162.807 10.9815 49.2844 10.9821 214.128 GPRESSURE: 2830600 214.869 205.346 17.5807 69.5551 188.283 -22.4409 25.9733 66.0325 231.472 PRESSAVG: 2830600 11.6097 22.3841 41.9632 22.3841 -19.1381 -10.3047 41.963 -10.3047 28.0679 GPRESSAVG: 2830600 12.3688 22.6896 44.06 24.6059 -19.0628 -8.24759 41.8719 -10.4864 27.304 TIMING: 2830600 CPU: 8527.01, 0.00300495/step Wall: 8527.01, 0.00300495/step, 1.81082 hours remaining, 210.941406 MB of memory in use. ENERGY: 2830600 751.3116 2081.8637 1948.2926 115.7282 -206567.0880 18075.0287 0.0000 0.0000 34467.7843 -149127.0789 301.0157 -183594.8632 -149028.5715 299.4009 180.9333 211.5414 557338.7475 6.8465 6.8700 PRESSURE: 2830800 -279.862 73.7178 101.561 73.7173 -81.6188 142.909 101.56 142.91 -201.139 GPRESSURE: 2830800 -228.454 60.3887 114.521 89.1491 -70.9856 16.8094 111.383 148.121 -162.889 PRESSAVG: 2830800 31.3895 14.3954 29.888 14.3954 -5.20532 -17.2556 29.888 -17.2556 -7.87497 GPRESSAVG: 2830800 30.8177 14.0565 28.8281 12.8136 -5.33147 -17.4057 28.952 -18.8162 -6.68065 TIMING: 2830800 CPU: 8527.62, 0.00305206/step Wall: 8527.62, 0.00305206/step, 1.83903 hours remaining, 210.941406 MB of memory in use. ENERGY: 2830800 795.9794 2101.5355 1922.4902 114.0333 -205934.2441 17589.9061 0.0000 0.0000 34387.8612 -149022.4383 300.3177 -183410.2995 -148930.4550 299.6908 -187.5399 -154.1096 557342.1275 6.1031 6.2685 PRESSURE: 2831000 157.732 -161.614 38.8535 -161.615 -95.452 2.21867 38.8537 2.21968 297.583 GPRESSURE: 2831000 146.208 -131.484 -14.6015 -183.08 1.69985 -3.53928 76.4696 67.0746 317.997 PRESSAVG: 2831000 5.95309 -30.7079 72.4602 -30.7079 4.77854 75.7106 72.4603 75.7107 8.18277 GPRESSAVG: 2831000 6.00838 -31.5579 70.3953 -27.5206 3.73355 74.3409 73.5298 77.1458 8.96242 TIMING: 2831000 CPU: 8528.23, 0.0030246/step Wall: 8528.23, 0.0030246/step, 1.82232 hours remaining, 210.941406 MB of memory in use. ENERGY: 2831000 739.6546 2081.4501 1955.1978 134.4020 -206360.9643 17994.3417 0.0000 0.0000 34263.3415 -149192.5767 299.2303 -183455.9182 -149096.1719 299.9038 119.9543 155.3017 557457.1249 6.3048 6.2348 PRESSURE: 2831200 -38.5629 -53.0388 -28.787 -53.0396 -71.9758 0.20781 -28.7873 0.208627 23.1768 GPRESSURE: 2831200 9.74012 -14.5696 -26.0105 -180.169 -61.9225 -61.626 34.4675 -13.3546 61.5059 PRESSAVG: 2831200 -39.0906 -20.2189 42.1552 -20.2188 37.3354 24.8828 42.1551 24.8828 42.639 GPRESSAVG: 2831200 -39.1062 -19.0324 43.4512 -22.5552 37.905 27.991 42.4626 21.7578 42.3202 TIMING: 2831200 CPU: 8528.83, 0.00300718/step Wall: 8528.83, 0.00300718/step, 1.81166 hours remaining, 210.941406 MB of memory in use. ENERGY: 2831200 761.0285 2083.9081 1946.1755 106.6965 -206521.8986 17967.3135 0.0000 0.0000 34448.0092 -149208.7673 300.8430 -183656.7764 -149108.2052 299.1548 -29.1206 3.1078 557145.1553 13.6279 13.7064 PRESSURE: 2831400 127.011 -52.1222 -33.7498 -52.1215 -61.5257 -37.0323 -33.7498 -37.0304 -71.9641 GPRESSURE: 2831400 178.791 -177.979 -17.2657 27.2993 -96.8737 -72.355 -36.311 -110.772 -1.95337 PRESSAVG: 2831400 26.665 18.7444 -26.3684 18.7443 -16.5731 17.0285 -26.3684 17.0284 21.6752 GPRESSAVG: 2831400 27.9103 18.3372 -27.3215 21.4913 -17.4459 17.9011 -26.0772 19.2929 21.907 TIMING: 2831400 CPU: 8529.43, 0.00300462/step Wall: 8529.43, 0.00300462/step, 1.80995 hours remaining, 210.941406 MB of memory in use. ENERGY: 2831400 729.7965 2108.7195 1921.2069 116.3328 -206403.7188 17851.2377 0.0000 0.0000 34388.3888 -149288.0366 300.3224 -183676.4254 -149198.6156 299.3830 -2.1594 26.6545 557546.7817 10.5890 10.7905 PRESSURE: 2831600 -150.748 3.60951 70.3418 3.60861 -25.9099 31.5824 70.3425 31.5832 114.749 GPRESSURE: 2831600 -111.306 -13.0046 63.0992 -46.2725 5.44932 20.0367 41.9888 46.0816 139.873 PRESSAVG: 2831600 7.4246 54.6815 47.005 54.6816 -6.57294 11.7737 47.0051 11.7736 6.85174 GPRESSAVG: 2831600 6.19344 56.0247 47.1136 52.5592 -5.22618 10.3791 47.7954 12.2168 6.46779 TIMING: 2831600 CPU: 8530.03, 0.00299859/step Wall: 8530.03, 0.00299859/step, 1.80615 hours remaining, 210.941406 MB of memory in use. ENERGY: 2831600 789.4685 2063.4015 1899.3290 130.2465 -206372.4669 17932.3445 0.0000 0.0000 34177.9093 -149379.7677 298.4842 -183557.6770 -149285.8848 298.9165 -20.6363 11.3386 559716.4309 2.5678 2.4784 PRESSURE: 2831800 7.15867 -3.7767 -137.713 -3.77697 128.536 117.898 -137.712 117.899 32.7578 GPRESSURE: 2831800 54.8617 34.7968 -217.904 -32.15 171.574 27.2942 -58.1665 118.604 34.4333 PRESSAVG: 2831800 -24.8586 60.2282 -24.3439 60.2283 11.9131 88.4024 -24.3441 88.4023 39.6913 GPRESSAVG: 2831800 -24.9817 58.028 -25.393 61.6346 11.5473 87.4461 -25.1422 88.5056 39.6773 TIMING: 2831800 CPU: 8530.63, 0.00299507/step Wall: 8530.63, 0.00299507/step, 1.80386 hours remaining, 210.941406 MB of memory in use. ENERGY: 2831800 770.5213 2060.6141 1959.1109 118.1147 -206410.1795 17989.7642 0.0000 0.0000 34148.1317 -149363.9226 298.2241 -183512.0543 -149273.5757 299.1574 56.1508 86.9564 557839.3102 8.9152 8.7476 PRESSURE: 2832000 94.4834 -23.1137 -33.4086 -23.1138 11.1749 4.03623 -33.4071 4.03694 -83.9462 GPRESSURE: 2832000 106.632 -107.419 -8.73934 49.8247 72.3816 -11.9737 -119.385 -66.2779 -52.3896 PRESSAVG: 2832000 12.5807 -42.003 17.3789 -42.0031 -23.6264 24.7494 17.379 24.7494 -7.71598 GPRESSAVG: 2832000 12.4922 -40.6976 18.6901 -45.5388 -23.6822 24.7558 15.217 23.7674 -7.75294 TIMING: 2832000 CPU: 8531.23, 0.00300955/step Wall: 8531.23, 0.00300955/step, 1.81242 hours remaining, 210.941406 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: 2832000 755.8523 2127.1619 1955.9084 117.4808 -206456.1872 17969.1692 0.0000 0.0000 34158.5304 -149372.0842 298.3149 -183530.6146 -149280.3367 299.0725 7.2373 42.2080 557728.4735 -6.2539 -6.3143 PRESSURE: 2832200 27.9926 -76.962 3.77936 -76.9631 -72.7629 -48.0608 3.77781 -48.0616 -108.908 GPRESSURE: 2832200 51.2997 5.05697 -60.4807 -69.5961 -25.3326 -48.0218 -62.6839 -66.4587 -75.3175 PRESSAVG: 2832200 -36.651 -7.24201 36.3415 -7.24197 39.9693 43.8443 36.3416 43.8442 -31.9042 GPRESSAVG: 2832200 -37.035 -8.22771 37.6307 -5.25558 40.5918 43.8938 36.3625 43.5944 -32.1023 TIMING: 2832200 CPU: 8531.84, 0.00303448/step Wall: 8531.84, 0.00303448/step, 1.82726 hours remaining, 210.941406 MB of memory in use. ENERGY: 2832200 768.3273 2147.5867 1944.3454 123.9684 -206245.4475 17762.4591 0.0000 0.0000 34212.8981 -149285.8625 298.7897 -183498.7606 -149187.3605 299.2124 -51.2262 -16.4501 558085.6691 -9.5286 -9.5151 LDB: ============= START OF LOAD BALANCING ============== 8535.36 LDB: ============== END OF LOAD BALANCING =============== 8535.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8535.36 LDB: ============= START OF LOAD BALANCING ============== 8535.66 LDB: Largest compute 4772 load 0.025776 is 21.8% of average load 0.118112 LDB: Average compute 0.001725 is 1.5% of average load 0.118112 LDB: TIME 8535.67 LOAD: AVG 0.118112 MAX 0.20959 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.133 MB LDB: TIME 8535.67 LOAD: AVG 0.118112 MAX 0.20959 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.336 MB LDB: TIME 8535.67 LOAD: AVG 0.118112 MAX 0.20959 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.336 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8535.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8535.67 PRESSURE: 2832400 -66.9947 -257.127 162.377 -257.126 -289.876 -48.1197 162.377 -48.1194 -66.1107 GPRESSURE: 2832400 -15.406 -290.088 173.007 -139.043 -261.268 -80.4554 215.672 -111.791 -57.9098 PRESSAVG: 2832400 -20.4354 -22.5583 67.1965 -22.5583 -7.39674 25.6858 67.1965 25.686 30.7116 GPRESSAVG: 2832400 -17.8005 -23.0501 65.139 -21.8501 -8.99065 24.5625 66.3571 27.0892 29.8838 TIMING: 2832400 CPU: 8532.46, 0.00310008/step Wall: 8532.46, 0.00310008/step, 1.86659 hours remaining, 209.250000 MB of memory in use. ENERGY: 2832400 734.1747 2067.0363 1950.7822 118.1866 -206231.0655 17772.3784 0.0000 0.0000 34374.4977 -149214.0097 300.2010 -183588.5073 -149114.3705 299.8652 -140.9939 -111.5279 559669.6484 0.9598 1.0309 PRESSURE: 2832600 3.77374 -1.34696 55.7524 -1.34738 134.214 36.1593 55.7533 36.1576 -3.70186 GPRESSURE: 2832600 61.2599 7.19037 106.864 -34.3777 120.715 101.553 50.8374 -25.507 36.9173 PRESSAVG: 2832600 22.7773 -52.7241 24.2948 -52.724 -4.30097 24.1216 24.2948 24.1216 -23.6824 GPRESSAVG: 2832600 21.7873 -52.9807 24.5559 -52.736 -3.96578 26.952 26.6139 22.3815 -22.8872 TIMING: 2832600 CPU: 8533.06, 0.00304103/step Wall: 8533.06, 0.00304103/step, 1.83087 hours remaining, 209.710938 MB of memory in use. ENERGY: 2832600 724.7149 2076.3094 1955.0324 107.8526 -206371.0624 17882.9699 0.0000 0.0000 34232.6672 -149391.5159 298.9624 -183624.1831 -149289.2139 299.0898 44.7619 72.9640 557676.2715 -1.7354 -1.6885 PRESSURE: 2832800 -29.5705 93.1912 196.894 93.1897 -78.3639 62.144 196.894 62.1452 59.5 GPRESSURE: 2832800 -4.07826 14.8891 148.582 29.4564 -1.32979 85.9864 232.96 46.0939 54.3485 PRESSAVG: 2832800 30.264 -38.2389 20.7697 -38.2389 -2.06303 12.3083 20.7697 12.3083 1.46089 GPRESSAVG: 2832800 30.0136 -37.9508 20.2933 -38.0405 -2.29423 10.5509 21.1309 14.179 2.25504 TIMING: 2832800 CPU: 8533.66, 0.00299673/step Wall: 8533.66, 0.00299673/step, 1.80403 hours remaining, 209.781250 MB of memory in use. ENERGY: 2832800 729.7350 2097.3709 1964.3335 105.2440 -206362.6613 17698.4763 0.0000 0.0000 34335.3092 -149432.1925 299.8588 -183767.5017 -149340.3090 298.9290 -16.1448 16.3135 556283.1262 9.8873 9.9915 PRESSURE: 2833000 191.173 -192.446 -66.7915 -192.446 -43.516 193.367 -66.7922 193.366 92.1469 GPRESSURE: 2833000 221.783 -241.302 -62.5769 -204.343 -61.4231 154.019 -71.1852 214.181 177.401 PRESSAVG: 2833000 -42.6874 -40.0173 2.93426 -40.0175 10.092 38.7675 2.93427 38.7675 19.5196 GPRESSAVG: 2833000 -43.4265 -38.0139 3.85925 -42.5033 10.8688 40.6271 0.902337 37.271 18.8921 TIMING: 2833000 CPU: 8534.27, 0.00302537/step Wall: 8534.27, 0.00302537/step, 1.8211 hours remaining, 209.781250 MB of memory in use. ENERGY: 2833000 751.2304 2100.1875 1954.1969 117.9933 -206142.8480 17843.4375 0.0000 0.0000 34154.3190 -149221.4834 298.2782 -183375.8024 -149129.1130 299.4532 79.9346 112.5870 557234.9734 -4.3586 -4.5552 PRESSURE: 2833200 88.2032 -154.579 -21.1152 -154.579 163.909 -34.4386 -21.114 -34.4394 27.6918 GPRESSURE: 2833200 104.403 -236.201 -22.5921 -18.1142 179.646 -27.568 -52.1807 -61.0448 92.8877 PRESSAVG: 2833200 -27.7833 26.2721 -1.0474 26.272 12.0583 19.6612 -1.04743 19.661 42.7855 GPRESSAVG: 2833200 -27.4715 25.6218 -1.02048 29.0937 11.556 17.7762 -0.376716 20.1659 42.1498 TIMING: 2833200 CPU: 8534.86, 0.00298279/step Wall: 8534.86, 0.00298279/step, 1.79531 hours remaining, 209.781250 MB of memory in use. ENERGY: 2833200 712.3283 2075.2089 1939.7626 120.2277 -206334.0626 17897.6248 0.0000 0.0000 34350.3249 -149238.5855 299.9899 -183588.9103 -149139.1760 300.1910 93.2681 125.6456 557397.7673 9.0202 8.7448 PRESSURE: 2833400 -87.2352 8.94474 46.7927 8.9464 -103.043 106.208 46.7928 106.209 -159.951 GPRESSURE: 2833400 3.03151 18.4295 43.4851 -29.3581 -114.041 150.067 104.973 69.0297 -142.524 PRESSAVG: 2833400 -57.8011 4.59844 -11.5889 4.59847 50.6476 42.3766 -11.5888 42.3765 2.63293 GPRESSAVG: 2833400 -57.9213 2.96404 -12.9584 5.06478 50.2167 43.4041 -12.0125 42.3818 2.97436 TIMING: 2833400 CPU: 8535.46, 0.00298887/step Wall: 8535.46, 0.00298887/step, 1.7988 hours remaining, 209.781250 MB of memory in use. ENERGY: 2833400 749.0952 2103.9841 1935.3639 118.3864 -206106.8568 17690.3329 0.0000 0.0000 34356.7181 -149152.9761 300.0458 -183509.6943 -149061.1458 300.0635 -116.7429 -84.5112 557888.5584 -1.5069 -1.5767 PRESSURE: 2833600 -89.8043 -9.79067 -154.692 -9.79165 -44.1527 55.1161 -154.692 55.1144 -116.002 GPRESSURE: 2833600 -114.986 20.6207 -214.104 -20.1256 7.58301 78.7314 -171.436 -16.6435 -48.4494 PRESSAVG: 2833600 28.3323 35.4782 -51.1728 35.4782 25.6147 4.33408 -51.1727 4.33423 -4.21457 GPRESSAVG: 2833600 27.7565 36.9585 -52.5989 32.529 26.7385 5.08621 -49.56 3.5116 -4.50552 TIMING: 2833600 CPU: 8536.06, 0.00299579/step Wall: 8536.06, 0.00299579/step, 1.8028 hours remaining, 209.781250 MB of memory in use. ENERGY: 2833600 749.3816 2061.8146 1916.2566 107.9577 -206197.5243 17705.4110 0.0000 0.0000 34313.1043 -149343.5986 299.6649 -183656.7029 -149243.8529 299.9784 -83.3198 -51.9507 558055.7307 16.5775 16.6632 PRESSURE: 2833800 -137.624 -19.7743 36.3061 -19.774 60.8373 -77.3533 36.3056 -77.3541 -209.998 GPRESSURE: 2833800 -124.558 -53.6374 101.281 110.711 145.434 -59.8393 49.3284 -56.0335 -215.748 PRESSAVG: 2833800 -59.7145 12.5512 -30.5139 12.5512 30.8407 16.6874 -30.514 16.6874 37.0158 GPRESSAVG: 2833800 -59.3533 11.8346 -29.8893 15.5358 29.8942 14.8102 -31.399 18.2132 37.7143 TIMING: 2833800 CPU: 8536.66, 0.00300535/step Wall: 8536.66, 0.00300535/step, 1.80838 hours remaining, 209.781250 MB of memory in use. ENERGY: 2833800 740.8566 2087.4259 1917.2168 96.3801 -205861.6548 17519.7229 0.0000 0.0000 34189.7434 -149310.3091 298.5875 -183500.0524 -149210.6612 299.7730 -95.5948 -64.9574 558204.4503 2.7140 2.7517 PRESSURE: 2834000 -149.51 112.6 -95.8162 112.599 -302.5 13.3821 -95.8164 13.3828 -127.579 GPRESSURE: 2834000 -131.59 140.652 -83.6034 65.4269 -268.334 57.8115 -112.682 -39.735 -97.7057 PRESSAVG: 2834000 -30.9759 23.9942 -30.1924 23.9942 47.7233 -26.8629 -30.1924 -26.8627 15.6166 GPRESSAVG: 2834000 -31.7578 23.5401 -29.0514 23.2932 49.0673 -24.0626 -31.3847 -27.3787 14.8781 TIMING: 2834000 CPU: 8537.26, 0.00298422/step Wall: 8537.26, 0.00298422/step, 1.79551 hours remaining, 209.781250 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: 2834000 768.4464 2112.4125 1935.9300 119.7694 -205959.8029 17661.2274 0.0000 0.0000 34106.6667 -149255.3506 297.8620 -183362.0173 -149162.0094 299.1735 -193.1964 -165.8764 559865.3651 10.7880 10.7292 PRESSURE: 2834200 61.291 1.62508 88.5344 1.62492 -377.702 86.5523 88.5344 86.5506 -112.092 GPRESSURE: 2834200 56.8776 127.258 69.2906 -67.5966 -319.094 142.59 89.9143 -13.7632 -69.9779 PRESSAVG: 2834200 1.27284 3.58817 -6.53838 3.58814 -16.5099 1.65918 -6.53834 1.6591 26.9495 GPRESSAVG: 2834200 2.20264 4.95457 -7.99427 2.73978 -16.4347 -0.679367 -5.40466 2.53289 25.5895 TIMING: 2834200 CPU: 8537.86, 0.00299996/step Wall: 8537.86, 0.00299996/step, 1.80481 hours remaining, 209.781250 MB of memory in use. ENERGY: 2834200 775.3480 2080.0395 1957.0978 112.8725 -206303.6268 17743.5394 0.0000 0.0000 34376.3188 -149258.4108 300.2169 -183634.7296 -149161.7298 299.8424 -142.8341 -110.7315 559319.3643 3.9041 3.7858 PRESSURE: 2834400 172.873 -117.216 -158.312 -117.215 -273.625 190.714 -158.311 190.713 -72.0901 GPRESSURE: 2834400 210.075 -60.7769 -183.783 -90.8408 -195.02 250.494 -166.16 146.223 -87.75 PRESSAVG: 2834400 26.5062 35.9463 -19.8437 35.9463 17.4741 -36.1994 -19.8438 -36.1994 -52.6547 GPRESSAVG: 2834400 26.8688 35.4818 -18.8638 35.437 15.8733 -35.2096 -18.7333 -35.2444 -51.8382 TIMING: 2834400 CPU: 8538.46, 0.00298351/step Wall: 8538.46, 0.00298351/step, 1.79475 hours remaining, 209.781250 MB of memory in use. ENERGY: 2834400 761.2765 2089.5296 1929.6647 114.1670 -206283.8093 17810.6621 0.0000 0.0000 34345.2730 -149233.2364 299.9458 -183578.5093 -149136.9410 299.2692 -57.6138 -24.2319 558706.7329 -2.8915 -3.0321 PRESSURE: 2834600 85.6364 1.12037 130.792 1.11917 458.061 -156.287 130.793 -156.287 -105.121 GPRESSURE: 2834600 71.2914 77.4701 58.5236 -13.805 482.544 -132.349 108.851 -161.516 -9.71212 PRESSAVG: 2834600 15.4441 -28.8525 19.0732 -28.8525 40.9098 -37.7137 19.0733 -37.7139 -50.9812 GPRESSAVG: 2834600 14.3915 -26.6153 18.8607 -28.5661 40.8916 -37.3658 16.3088 -39.3256 -49.8161 TIMING: 2834600 CPU: 8539.05, 0.00298349/step Wall: 8539.05, 0.00298349/step, 1.79457 hours remaining, 209.781250 MB of memory in use. ENERGY: 2834600 700.5741 2133.4124 1931.6818 108.8017 -206459.5183 18110.7751 0.0000 0.0000 34226.0353 -149248.2378 298.9045 -183474.2732 -149159.3146 299.8650 146.1921 181.3745 556950.4227 1.7909 1.8223 PRESSURE: 2834800 -139.232 112.412 43.866 112.413 -81.0727 -101.03 43.8655 -101.027 31.3761 GPRESSURE: 2834800 -130.694 24.1457 41.3584 129.847 19.4071 -179.138 27.4084 -0.708072 23.48 PRESSAVG: 2834800 -15.5841 -7.7019 -15.8957 -7.70187 14.9357 -28.9518 -15.8957 -28.9518 30.3503 GPRESSAVG: 2834800 -15.5135 -10.5142 -15.4613 -6.6294 15.1907 -31.5343 -15.0898 -28.5065 30.4238 TIMING: 2834800 CPU: 8539.65, 0.00300046/step Wall: 8539.65, 0.00300046/step, 1.80461 hours remaining, 209.781250 MB of memory in use. ENERGY: 2834800 705.6288 2138.2814 1938.1898 104.6168 -205684.0919 17469.6092 0.0000 0.0000 34098.8188 -149228.9471 297.7935 -183327.7659 -149127.3919 299.5953 -62.9763 -29.2689 557215.3270 9.9006 10.0337 PRESSURE: 2835000 -8.66782 105.969 38.4444 105.97 -62.8007 104.439 38.445 104.438 -87.8447 GPRESSURE: 2835000 58.9631 81.6945 -11.2807 138.292 -70.5208 135.361 76.5518 23.2324 -53.2884 PRESSAVG: 2835000 -20.5461 -27.5075 -15.7909 -27.5075 41.8295 8.27497 -15.7909 8.27488 -22.7121 GPRESSAVG: 2835000 -19.9555 -25.9216 -16.5247 -27.7156 42.1574 9.80953 -15.8985 6.34005 -23.6662 TIMING: 2835000 CPU: 8540.24, 0.00295528/step Wall: 8540.24, 0.00295528/step, 1.77727 hours remaining, 209.781250 MB of memory in use. ENERGY: 2835000 746.0473 2078.9585 1954.5749 120.3956 -206166.6240 17811.2477 0.0000 0.0000 34085.7893 -149369.6108 297.6797 -183455.4001 -149272.9140 298.8992 -53.1044 -21.6154 558862.4075 -0.4762 -0.4881 PRESSURE: 2835200 -228.198 -36.295 -53.2086 -36.2962 99.6179 -59.5848 -53.2084 -59.5837 -96.6081 GPRESSURE: 2835200 -135.297 -62.7064 -25.2678 -0.260647 105.717 -58.8864 -76.1911 -38.7587 -101.144 PRESSAVG: 2835200 29.8205 43.3599 19.8764 43.3598 11.3261 -20.4059 19.8765 -20.4059 -62.4193 GPRESSAVG: 2835200 30.2441 42.543 21.1968 43.0606 11.6116 -22.1686 20.1804 -18.5639 -62.7044 TIMING: 2835200 CPU: 8540.84, 0.00296558/step Wall: 8540.84, 0.00296558/step, 1.7833 hours remaining, 209.984375 MB of memory in use. ENERGY: 2835200 787.9579 2088.1473 1950.0612 102.2237 -206695.2414 17989.2919 0.0000 0.0000 34275.7720 -149501.7873 299.3388 -183777.5592 -149406.7144 298.6536 -75.0628 -43.5747 558517.1322 -7.0909 -6.9495 PRESSURE: 2835400 400.369 231.881 55.9489 231.882 63.3995 116.089 55.9494 116.09 -27.4515 GPRESSURE: 2835400 376.029 204.369 102.401 216.904 110.762 141.41 61.2954 136.5 45.1209 PRESSAVG: 2835400 55.6172 6.43551 96.5647 6.43546 38.3435 -1.52599 96.5647 -1.5259 -74.2032 GPRESSAVG: 2835400 55.5557 5.64685 97.2517 8.31816 37.9994 -2.1092 96.3507 -1.64131 -73.9199 TIMING: 2835400 CPU: 8541.44, 0.0030029/step Wall: 8541.44, 0.0030029/step, 1.80558 hours remaining, 209.984375 MB of memory in use. ENERGY: 2835400 735.6263 2057.9453 1959.7576 121.4600 -206643.2110 18169.5180 0.0000 0.0000 34088.9963 -149509.9076 297.7077 -183598.9039 -149412.1301 298.5138 145.4389 177.3041 557235.7151 6.5858 6.5451 PRESSURE: 2835600 -333.259 -79.7149 22.4389 -79.716 -396.829 77.6016 22.4394 77.6015 70.2656 GPRESSURE: 2835600 -273.127 -20.6199 -40.0623 -124.763 -315.306 172.392 7.0835 35.7209 27.0985 PRESSAVG: 2835600 6.55732 -12.828 61.5081 -12.8279 51.1184 45.6971 61.5081 45.6972 -14.1767 GPRESSAVG: 2835600 6.51579 -12.9098 59.0885 -15.2675 50.735 47.8815 60.492 43.6091 -13.3839 TIMING: 2835600 CPU: 8542.04, 0.00299786/step Wall: 8542.04, 0.00299786/step, 1.80238 hours remaining, 209.984375 MB of memory in use. ENERGY: 2835600 743.3076 2071.5009 1940.7563 116.6288 -206004.8143 17536.6025 0.0000 0.0000 34244.5510 -149351.4672 299.0662 -183596.0182 -149254.9717 299.2240 -219.9407 -187.1114 557946.7827 14.4996 14.6223 PRESSURE: 2835800 -147.319 96.7349 187.109 96.7351 -290.241 -60.3843 187.109 -60.3834 -97.9877 GPRESSURE: 2835800 -62.0064 149.879 132.402 137.274 -260.448 -88.5603 184.808 -83.1059 -115.728 PRESSAVG: 2835800 5.1424 -2.14787 95.5877 -2.14783 -29.6252 0.542556 95.5877 0.542576 19.5478 GPRESSAVG: 2835800 5.78878 0.211324 95.6594 -2.30804 -28.9564 1.58515 97.7631 0.629206 18.2809 TIMING: 2835800 CPU: 8542.64, 0.00300959/step Wall: 8542.64, 0.00300959/step, 1.80926 hours remaining, 209.984375 MB of memory in use. ENERGY: 2835800 812.2704 2089.3363 1917.4356 104.5085 -206071.3177 17548.7488 0.0000 0.0000 34423.9256 -149175.0925 300.6327 -183599.0182 -149080.8427 299.3358 -178.5160 -146.0607 558744.9580 -1.6450 -1.6289 PRESSURE: 2836000 -8.94346 -31.1744 31.2123 -31.176 -143.64 118.962 31.2132 118.962 -64.987 GPRESSURE: 2836000 -20.6013 -20.9983 16.8591 -95.4085 -102.61 165.664 32.297 102.795 -5.17485 PRESSAVG: 2836000 -11.3859 19.9259 22.5605 19.9259 -29.4997 68.8128 22.5606 68.8129 5.00188 GPRESSAVG: 2836000 -11.3251 20.464 22.4334 20.2228 -29.3819 67.3534 21.4216 70.3878 4.9153 TIMING: 2836000 CPU: 8543.24, 0.00301406/step Wall: 8543.24, 0.00301406/step, 1.81179 hours remaining, 209.984375 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: 2836000 745.2302 2064.5945 1965.0852 120.3031 -206050.6041 17731.1388 0.0000 0.0000 34202.4582 -149221.7941 298.6986 -183424.2523 -149124.4025 299.3456 -72.5237 -42.7955 558861.3858 -11.9612 -11.9305 PRESSURE: 2836200 134.699 -33.3743 151.678 -33.376 16.2884 96.7887 151.678 96.789 -79.9026 GPRESSURE: 2836200 96.1606 -7.33271 161.16 -24.4743 72.8797 73.508 83.2432 59.5361 3.70232 PRESSAVG: 2836200 -11.8045 -21.7969 11.8635 -21.797 -2.66273 27.4507 11.8635 27.4508 -0.755421 GPRESSAVG: 2836200 -12.7834 -21.2109 12.696 -21.8371 -2.517 27.2364 10.3935 26.8875 -0.535221 TIMING: 2836200 CPU: 8543.85, 0.00304774/step Wall: 8543.85, 0.00304774/step, 1.83186 hours remaining, 209.984375 MB of memory in use. ENERGY: 2836200 724.0364 2056.1087 1946.2271 125.9589 -206180.8771 17827.4287 0.0000 0.0000 34386.5326 -149114.5848 300.3061 -183501.1174 -149018.3116 299.3511 23.6950 57.5809 557223.6921 -5.0742 -5.2785 LDB: ============= START OF LOAD BALANCING ============== 8547.37 LDB: ============== END OF LOAD BALANCING =============== 8547.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8547.37 LDB: ============= START OF LOAD BALANCING ============== 8547.68 LDB: Largest compute 4794 load 0.024693 is 20.9% of average load 0.118073 LDB: Average compute 0.001722 is 1.5% of average load 0.118073 LDB: TIME 8547.68 LOAD: AVG 0.118073 MAX 0.209207 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.738 MB LDB: TIME 8547.68 LOAD: AVG 0.118073 MAX 0.209207 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.941 MB LDB: TIME 8547.68 LOAD: AVG 0.118073 MAX 0.209207 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.941 MB LDB: ============== END OF LOAD BALANCING =============== 8547.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8547.69 PRESSURE: 2836400 -116.417 107.894 -77.7861 107.894 133.711 -172.947 -77.7871 -172.946 95.2189 GPRESSURE: 2836400 -7.07956 136.85 -87.2851 86.1586 106.725 -73.212 -80.9165 -203.749 103.616 PRESSAVG: 2836400 -4.97782 -37.0586 -3.21591 -37.0586 10.771 -0.361561 -3.21583 -0.361522 3.86366 GPRESSAVG: 2836400 -5.87933 -37.4534 -5.67037 -37.9582 10.2321 0.300717 0.118136 -1.34266 5.13761 TIMING: 2836400 CPU: 8544.47, 0.00310563/step Wall: 8544.47, 0.00310563/step, 1.86648 hours remaining, 208.609375 MB of memory in use. ENERGY: 2836400 723.4254 2091.0358 1954.0480 116.9002 -206147.4908 17812.3746 0.0000 0.0000 34278.3279 -149171.3790 299.3612 -183449.7068 -149070.6711 299.8379 37.5041 67.7539 557336.5744 3.2189 3.1635 PRESSURE: 2836600 -222.82 0.926655 2.97151 0.926098 -270.029 -36.3965 2.97166 -36.3977 5.34653 GPRESSURE: 2836600 -150.362 39.5002 23.0541 48.7011 -265.609 -50.7987 18.817 -11.2579 26.1555 PRESSAVG: 2836600 -13.7263 18.1211 18.3153 18.121 -23.2191 -36.8312 18.3152 -36.8313 16.2932 GPRESSAVG: 2836600 -12.6122 17.9705 21.1624 20.8287 -22.8232 -37.5302 15.4024 -36.6132 14.5789 TIMING: 2836600 CPU: 8545.07, 0.00300423/step Wall: 8545.07, 0.00300423/step, 1.80537 hours remaining, 208.812500 MB of memory in use. ENERGY: 2836600 743.3273 2083.2054 1942.2925 124.6913 -205708.3733 17391.0262 0.0000 0.0000 34139.7754 -149284.0552 298.1511 -183423.8306 -149187.0325 299.3509 -162.5008 -129.9386 557578.0028 -6.8840 -6.9521 PRESSURE: 2836800 163.609 70.2388 48.6464 70.2392 135.661 367.064 48.6454 367.066 -285.899 GPRESSURE: 2836800 193.546 -43.0694 -14.9344 166.004 129.368 408.091 32.1044 337.848 -217.372 PRESSAVG: 2836800 -3.8119 -12.0058 78.1382 -12.0057 1.08933 16.5361 78.1381 16.5361 -11.6392 GPRESSAVG: 2836800 -4.86274 -10.3094 77.9294 -13.3254 0.829742 17.6962 77.2892 17.097 -9.67089 TIMING: 2836800 CPU: 8545.67, 0.00299317/step Wall: 8545.67, 0.00299317/step, 1.79856 hours remaining, 208.812500 MB of memory in use. ENERGY: 2836800 762.4755 2115.9916 1941.7469 112.0925 -206499.3860 18003.1575 0.0000 0.0000 34304.7763 -149259.1458 299.5921 -183563.9220 -149170.8522 298.7383 4.4568 35.1809 557942.1810 -4.7873 -4.5680 PRESSURE: 2837000 -242.449 -12.3888 -24.9562 -12.3894 -138.246 14.1338 -24.9548 14.1337 192.876 GPRESSURE: 2837000 -184.464 -14.6532 28.5619 -76.3596 -72.6076 17.9031 29.1349 12.5003 167.393 PRESSAVG: 2837000 -42.0692 -10.7144 0.500786 -10.7144 70.0611 12.395 0.500727 12.3951 27.7369 GPRESSAVG: 2837000 -41.9306 -13.0041 0.3758 -10.6793 70.2415 10.8627 1.33319 13.1646 26.7158 TIMING: 2837000 CPU: 8546.28, 0.00302351/step Wall: 8546.28, 0.00302351/step, 1.81663 hours remaining, 208.812500 MB of memory in use. ENERGY: 2837000 746.3706 2087.9339 1944.3864 110.3509 -206475.4984 17810.5134 0.0000 0.0000 34398.1701 -149377.7731 300.4078 -183775.9432 -149275.4888 299.4001 -62.6061 -29.8931 558394.8229 18.5763 18.3423 PRESSURE: 2837200 -137.733 -67.3368 -96.1156 -67.3359 6.45556 -45.8557 -96.1157 -45.8547 -104.374 GPRESSURE: 2837200 -67.5189 -106.221 -25.5811 -65.4672 -6.85206 -68.0707 -3.1832 -27.0717 -72.898 PRESSAVG: 2837200 -66.1983 -41.4399 -28.257 -41.4399 84.6812 21.8546 -28.2569 21.8546 41.0018 GPRESSAVG: 2837200 -66.2434 -40.5409 -26.3314 -40.368 83.893 21.224 -30.456 20.8855 41.3659 TIMING: 2837200 CPU: 8546.87, 0.00298684/step Wall: 8546.87, 0.00298684/step, 1.79442 hours remaining, 208.812500 MB of memory in use. ENERGY: 2837200 723.3963 2081.2509 1933.1039 120.4734 -205795.2057 17521.2420 0.0000 0.0000 34134.5232 -149281.2161 298.1053 -183415.7393 -149180.7085 298.6529 -78.5506 -49.0896 557636.7168 19.8282 19.6718 PRESSURE: 2837400 -43.7807 -93.9153 201.266 -93.9147 -17.6198 -30.957 201.264 -30.9574 84.7448 GPRESSURE: 2837400 -48.1082 -151.638 151.629 -115.699 47.9159 -53.3922 199.447 -91.6283 129.364 PRESSAVG: 2837400 -5.14751 -13.8437 -33.2363 -13.8437 -5.18693 46.5207 -33.2364 46.5207 -33.157 GPRESSAVG: 2837400 -4.07772 -14.0821 -36.542 -14.9723 -4.13459 47.8451 -29.5359 47.1747 -34.9342 TIMING: 2837400 CPU: 8547.47, 0.00299063/step Wall: 8547.47, 0.00299063/step, 1.79654 hours remaining, 208.812500 MB of memory in use. ENERGY: 2837400 747.0911 2085.1064 1948.1508 97.7218 -206083.5866 17871.8105 0.0000 0.0000 34111.7007 -149222.0054 297.9060 -183333.7061 -149114.9795 298.8785 7.7815 43.0573 557679.0622 -14.4971 -14.3822 PRESSURE: 2837600 25.5852 -85.6867 2.44917 -85.688 196.996 40.2969 2.4492 40.2955 81.2771 GPRESSURE: 2837600 68.5786 22.1339 -24.6661 -104.225 177.658 94.6489 104.545 -31.6114 159.687 PRESSAVG: 2837600 -4.9821 -30.388 -46.5634 -30.388 39.3921 50.0689 -46.5634 50.069 16.669 GPRESSAVG: 2837600 -5.06975 -31.5747 -44.0863 -27.7684 39.2538 52.3429 -49.334 49.6263 16.3358 TIMING: 2837600 CPU: 8548.07, 0.00300722/step Wall: 8548.07, 0.00300722/step, 1.80634 hours remaining, 208.812500 MB of memory in use. ENERGY: 2837600 736.4488 2089.8182 1925.3226 115.2732 -206350.6700 17978.8075 0.0000 0.0000 34305.0155 -149199.9842 299.5942 -183504.9997 -149103.9119 298.5888 101.2860 135.3079 556424.4479 17.0263 16.8399 PRESSURE: 2837800 83.8196 53.6617 114.485 53.6611 169.718 7.28258 114.486 7.28566 3.94394 GPRESSURE: 2837800 111.53 70.8718 134.726 44.5357 193.431 -80.2646 155.863 -9.35141 41.6765 PRESSAVG: 2837800 10.4192 -3.43224 -4.11841 -3.43222 -59.2191 6.09261 -4.11847 6.09252 52.525 GPRESSAVG: 2837800 10.931 -3.04658 -4.72629 -3.28285 -60.4239 3.22317 -3.20561 5.44015 53.3965 TIMING: 2837800 CPU: 8548.67, 0.0029946/step Wall: 8548.67, 0.0029946/step, 1.79859 hours remaining, 208.812500 MB of memory in use. ENERGY: 2837800 737.1617 2078.4024 1945.5979 119.7576 -206356.7933 17781.6135 0.0000 0.0000 34336.0681 -149358.1921 299.8654 -183694.2603 -149263.4456 298.8553 85.8273 115.5461 555733.8656 1.2417 1.3012 PRESSURE: 2838000 -47.2795 37.6314 -74.1649 37.6315 44.8905 155.959 -74.163 155.958 77.7083 GPRESSURE: 2838000 3.98479 80.4406 -51.8126 -59.3159 115.48 37.2629 -108.072 255.914 59.3584 PRESSAVG: 2838000 67.5642 5.38971 -28.5008 5.38967 -87.9717 42.603 -28.5008 42.6031 26.3972 GPRESSAVG: 2838000 67.2895 6.61777 -28.2685 3.34934 -86.8703 41.5983 -27.5388 44.4562 26.0274 TIMING: 2838000 CPU: 8549.28, 0.00301634/step Wall: 8549.28, 0.00301635/step, 1.81148 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: 2838000 762.6769 2037.6876 1935.7886 104.2615 -206539.1567 18044.7910 0.0000 0.0000 34237.3152 -149416.6359 299.0030 -183653.9510 -149322.0650 299.3997 25.1064 59.6077 556908.3054 1.9966 2.1488 PRESSURE: 2838200 -271.043 24.3583 38.7092 24.3582 -261.935 84.8791 38.7091 84.8799 -283.333 GPRESSURE: 2838200 -278.5 49.0649 158.581 82.4666 -234.83 84.3909 -5.69999 66.9326 -220.921 PRESSAVG: 2838200 4.49692 -15.5967 -14.2231 -15.5967 -27.8336 -26.4076 -14.2232 -26.4076 17.9501 GPRESSAVG: 2838200 3.04646 -16.8691 -14.6865 -14.838 -26.2797 -24.7574 -15.7808 -28.7635 18.1448 TIMING: 2838200 CPU: 8549.88, 0.0030112/step Wall: 8549.88, 0.0030112/step, 1.80823 hours remaining, 208.812500 MB of memory in use. ENERGY: 2838200 750.7563 2060.0638 1961.8418 117.4544 -205808.0246 17471.9276 0.0000 0.0000 34032.5520 -149413.4287 297.2147 -183445.9807 -149315.5630 298.8458 -272.1038 -244.7505 557798.5861 -1.7955 -1.6962 PRESSURE: 2838400 -299.304 -43.7754 151.467 -43.7755 -140.559 -167.003 151.467 -167.002 -206.82 GPRESSURE: 2838400 -197.857 -79.8254 100.6 -39.8673 -141.936 -134.217 158.436 -166.319 -215.74 PRESSAVG: 2838400 12.3749 -2.78962 -19.7387 -2.78959 35.8363 -50.4821 -19.7388 -50.4821 3.76372 GPRESSAVG: 2838400 13.942 -2.45536 -19.8657 -3.24852 34.3324 -50.4959 -18.6542 -49.4427 3.7277 TIMING: 2838400 CPU: 8550.48, 0.0030287/step Wall: 8550.48, 0.0030287/step, 1.81856 hours remaining, 208.812500 MB of memory in use. ENERGY: 2838400 753.2601 2040.7578 1935.2228 127.6211 -205858.1957 17393.2946 0.0000 0.0000 34194.7028 -149413.3366 298.6308 -183608.0394 -149325.5049 299.0170 -215.5608 -185.1776 556988.4452 17.3250 17.3340 PRESSURE: 2838600 74.2384 150.934 69.8515 150.934 -25.1687 2.10904 69.8508 2.10993 -13.3344 GPRESSURE: 2838600 110.353 51.1448 117.084 157.051 12.8199 -38.0513 37.9821 73.5209 -0.529148 PRESSAVG: 2838600 57.3816 11.6348 35.4558 11.6348 -4.9847 3.75246 35.4558 3.75238 -95.1377 GPRESSAVG: 2838600 57.64 11.0752 34.8231 11.5414 -5.96214 3.19934 36.8518 3.38564 -94.5898 TIMING: 2838600 CPU: 8551.09, 0.00303322/step Wall: 8551.09, 0.00303322/step, 1.82111 hours remaining, 208.812500 MB of memory in use. ENERGY: 2838600 736.3789 2091.3107 1961.4772 115.6158 -206234.3765 17747.8338 0.0000 0.0000 34024.9913 -149556.7688 297.1487 -183581.7601 -149463.3040 298.2546 11.9118 40.8812 558038.9282 -14.2469 -14.3040 PRESSURE: 2838800 -326.593 -38.9759 131.973 -38.9767 -32.949 -174.645 131.973 -174.647 -76.8282 GPRESSURE: 2838800 -271.563 -34.0177 47.8335 -34.4454 8.27707 -177.492 97.2091 -149.61 -78.3351 PRESSAVG: 2838800 0.909665 79.3795 -5.5957 79.3796 14.5005 -51.2936 -5.59576 -51.2936 4.27879 GPRESSAVG: 2838800 1.58026 79.9544 -4.66441 78.0374 14.3018 -52.3114 -7.57803 -53.3045 3.9013 TIMING: 2838800 CPU: 8551.68, 0.00296718/step Wall: 8551.68, 0.00296718/step, 1.7813 hours remaining, 208.812500 MB of memory in use. ENERGY: 2838800 744.0573 2031.1110 1925.9641 114.4657 -206147.7211 17698.1248 0.0000 0.0000 33882.1055 -149751.8927 295.9009 -183633.9983 -149655.0317 297.3753 -145.4567 -113.8737 557592.3761 6.5630 6.5945 PRESSURE: 2839000 118.503 -40.2861 24.2005 -40.2864 -175.96 42.2503 24.1988 42.2493 -146.652 GPRESSURE: 2839000 130.188 -7.36253 115.02 -71.0063 -163.55 49.1692 -35.2273 111.731 -83.3902 PRESSAVG: 2839000 18.793 4.46029 33.043 4.46032 -65.6966 -5.8802 33.043 -5.88021 4.68699 GPRESSAVG: 2839000 17.6732 2.76345 33.9228 5.80839 -65.9507 -6.07496 33.4868 -2.9293 5.96759 TIMING: 2839000 CPU: 8552.28, 0.00300246/step Wall: 8552.28, 0.00300246/step, 1.80231 hours remaining, 208.812500 MB of memory in use. ENERGY: 2839000 728.9140 2048.3220 1935.4659 109.0540 -206552.0333 17840.3990 0.0000 0.0000 34151.0900 -149738.7884 298.2500 -183889.8784 -149647.3245 297.4413 -68.0360 -38.9172 557049.3558 -14.0722 -14.1033 PRESSURE: 2839200 29.3414 -109.615 -177.928 -109.615 -221.936 -104.405 -177.926 -104.405 -74.0939 GPRESSURE: 2839200 57.722 -185.135 -112.226 -163.373 -159.423 -63.1278 -298.073 -89.8463 -68.5671 PRESSAVG: 2839200 24.4934 -1.11288 -44.55 -1.11277 -68.3347 21.6056 -44.5499 21.6056 21.8937 GPRESSAVG: 2839200 23.456 0.631784 -44.3913 -2.43453 -66.3856 20.624 -44.6341 20.9145 20.7275 TIMING: 2839200 CPU: 8552.88, 0.00297456/step Wall: 8552.88, 0.00297456/step, 1.7854 hours remaining, 208.812500 MB of memory in use. ENERGY: 2839200 775.7033 2112.1904 1936.0132 109.9315 -206441.3637 17906.2465 0.0000 0.0000 34012.0882 -149589.1905 297.0360 -183601.2787 -149486.3030 297.9986 -88.8961 -56.7560 556736.5262 -7.3159 -7.4007 PRESSURE: 2839400 -171.162 -49.8579 -31.9076 -49.8585 -309.304 27.6176 -31.9081 27.6163 -108.429 GPRESSURE: 2839400 -102.158 -27.0323 -10.7447 -98.2661 -278.335 -15.6556 -139.172 27.6198 -104.319 PRESSAVG: 2839400 -28.764 28.7052 11.2211 28.7052 -47.0485 2.41878 11.2211 2.41879 54.5784 GPRESSAVG: 2839400 -27.5279 27.4658 12.0182 29.6279 -48.2979 2.63191 10.1832 0.375934 54.5996 TIMING: 2839400 CPU: 8553.48, 0.00300959/step Wall: 8553.48, 0.00300959/step, 1.80626 hours remaining, 208.812500 MB of memory in use. ENERGY: 2839400 750.9187 2101.0341 1900.0819 116.3654 -206020.2916 17569.1872 0.0000 0.0000 33990.8928 -149591.8116 296.8509 -183582.7043 -149494.1926 297.4307 -196.2986 -161.6037 559301.2170 -7.0780 -7.0754 PRESSURE: 2839600 136.188 42.9849 53.0357 42.9844 354.905 -1.60227 53.0351 -1.60161 93.6851 GPRESSURE: 2839600 133.274 -0.556565 116.03 152.59 411.17 -104.643 -0.527921 -60.3591 142.621 PRESSAVG: 2839600 -9.00318 -10.3837 -26.4292 -10.3837 -17.1482 -73.7142 -26.4292 -73.7142 -20.3012 GPRESSAVG: 2839600 -9.3086 -7.23835 -28.2278 -10.7442 -16.1535 -72.9956 -24.7469 -72.308 -20.7377 TIMING: 2839600 CPU: 8554.08, 0.0030156/step Wall: 8554.08, 0.0030156/step, 1.8097 hours remaining, 208.812500 MB of memory in use. ENERGY: 2839600 728.8361 2022.6996 1953.0952 110.2331 -206483.2320 18009.7116 0.0000 0.0000 33963.7198 -149694.9366 296.6136 -183658.6564 -149601.4878 297.2752 194.9259 229.0216 556788.1851 -15.4842 -15.3999 PRESSURE: 2839800 68.6262 88.0337 38.6589 88.034 -98.3993 81.5329 38.6585 81.5333 -41.9476 GPRESSURE: 2839800 106.879 99.3851 2.13563 76.1168 -102.445 92.2526 13.5845 71.4423 11.5927 PRESSAVG: 2839800 -20.5079 -1.89347 -3.45615 -1.89348 -18.4498 17.3591 -3.45612 17.3592 30.7116 GPRESSAVG: 2839800 -21.9564 -2.46196 -3.00505 -3.38273 -19.5648 17.6088 -3.8063 17.3864 32.7507 TIMING: 2839800 CPU: 8554.68, 0.00299889/step Wall: 8554.68, 0.00299889/step, 1.7995 hours remaining, 208.812500 MB of memory in use. ENERGY: 2839800 740.3736 2029.4955 1942.1203 116.3573 -206446.4618 17774.2500 0.0000 0.0000 34220.1856 -149623.6794 298.8534 -183843.8651 -149530.0055 297.8140 -23.9069 5.3422 558350.8202 -2.7487 -2.9235 PRESSURE: 2840000 60.1271 -108.283 228.053 -108.283 -27.5463 -83.5629 228.053 -83.5618 33.6318 GPRESSURE: 2840000 77.2758 -64.0041 193.196 -122.331 20.9001 -58.2235 116.988 -79.7125 66.3108 PRESSAVG: 2840000 -25.0286 -31.8069 20.9907 -31.8069 16.3485 -0.0787086 20.9907 -0.0787032 -7.58858 GPRESSAVG: 2840000 -24.5662 -32.6779 21.2908 -31.4299 17.8693 -0.0383111 20.5441 -0.708195 -9.27295 TIMING: 2840000 CPU: 8555.28, 0.00299106/step Wall: 8555.28, 0.00299106/step, 1.79463 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: 2840000 762.4291 2075.1986 1924.9966 127.4624 -206799.4602 18133.4435 0.0000 0.0000 34110.2645 -149665.6654 297.8934 -183775.9299 -149567.2544 297.4478 22.0709 54.8289 557321.0642 -5.4229 -5.3233 PRESSURE: 2840200 -104.234 119.831 169.313 119.831 -54.1696 -103.957 169.315 -103.956 192.14 GPRESSURE: 2840200 -73.7636 178.835 131.763 65.1198 -19.9947 -81.874 156.743 -51.8598 213.141 PRESSAVG: 2840200 27.9678 -37.7211 48.3859 -37.7212 -8.25889 -6.80953 48.3858 -6.80945 -15.4974 GPRESSAVG: 2840200 27.44 -36.0269 48.7018 -36.8071 -8.99805 -7.33699 47.7044 -7.13166 -14.0524 TIMING: 2840200 CPU: 8555.88, 0.00300153/step Wall: 8555.88, 0.00300153/step, 1.80075 hours remaining, 208.812500 MB of memory in use. ENERGY: 2840200 767.9119 2081.8288 1923.3478 115.5797 -206635.8049 18025.1118 0.0000 0.0000 34040.9678 -149681.0571 297.2882 -183722.0249 -149591.8851 297.7627 11.2454 39.7943 556816.6589 1.4038 1.4632 LDB: ============= START OF LOAD BALANCING ============== 8559.4 LDB: ============== END OF LOAD BALANCING =============== 8559.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8559.4 LDB: ============= START OF LOAD BALANCING ============== 8559.7 LDB: Largest compute 4794 load 0.025700 is 21.8% of average load 0.118146 LDB: Average compute 0.001727 is 1.5% of average load 0.118146 LDB: TIME 8559.7 LOAD: AVG 0.118146 MAX 0.207447 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.227 MB LDB: TIME 8559.7 LOAD: AVG 0.118146 MAX 0.207447 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.227 MB LDB: TIME 8559.7 LOAD: AVG 0.118146 MAX 0.207447 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.227 MB LDB: ============== END OF LOAD BALANCING =============== 8559.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8559.71 PRESSURE: 2840400 -81.3394 37.2729 65.7943 37.2722 -253.018 -33.6192 65.7944 -33.6204 -207.83 GPRESSURE: 2840400 -41.7967 -10.2564 118.794 37.6771 -217.599 31.2195 64.4324 -64.4307 -199.992 PRESSAVG: 2840400 -22.6337 -2.04625 7.53324 -2.04628 -26.636 -36.6224 7.53329 -36.6223 22.3386 GPRESSAVG: 2840400 -22.5086 -3.58192 8.05943 -2.69335 -26.2584 -36.046 6.69944 -36.7092 21.7657 TIMING: 2840400 CPU: 8556.49, 0.00303333/step Wall: 8556.49, 0.00303333/step, 1.81966 hours remaining, 208.023438 MB of memory in use. ENERGY: 2840400 733.7863 2068.9318 1940.6695 115.0311 -206127.2095 17448.3265 0.0000 0.0000 34222.4905 -149597.9738 298.8735 -183820.4643 -149499.2877 298.5335 -180.7292 -153.1291 556772.9263 -8.9770 -9.0004 PRESSURE: 2840600 -84.4116 -4.46205 -86.2856 -4.46163 16.4493 -195.472 -86.2844 -195.471 19.0162 GPRESSURE: 2840600 -66.4331 -91.0976 -75.0176 101.407 40.366 -264.543 -137.981 -109.409 70.4275 PRESSAVG: 2840600 34.3088 21.3398 6.53761 21.3399 -79.7873 -7.59615 6.53752 -7.59622 37.8899 GPRESSAVG: 2840600 35.5402 20.2919 8.28863 23.2975 -81.9972 -8.04349 6.68588 -6.84249 38.7211 TIMING: 2840600 CPU: 8557.09, 0.00298594/step Wall: 8557.09, 0.00298594/step, 1.79107 hours remaining, 208.023438 MB of memory in use. ENERGY: 2840600 773.0140 2068.8322 1950.4958 118.1605 -206325.1118 17884.9346 0.0000 0.0000 34112.0102 -149417.6645 297.9087 -183529.6747 -149320.9280 298.2342 -16.3153 14.7868 556993.1639 -2.5295 -2.5786 PRESSURE: 2840800 -20.4548 19.2108 99.096 19.2108 23.1576 170.87 99.0963 170.871 -193.101 GPRESSURE: 2840800 10.3831 17.3036 128.146 -34.0934 82.958 191.177 110.851 115.496 -187.373 PRESSAVG: 2840800 -3.7356 48.6664 -47.8281 48.6663 70.2669 -36.5404 -47.8281 -36.5403 -61.1962 GPRESSAVG: 2840800 -4.48874 50.8759 -48.4759 45.6859 72.1813 -34.8791 -48.4985 -35.4788 -62.511 TIMING: 2840800 CPU: 8557.69, 0.00301054/step Wall: 8557.69, 0.00301054/step, 1.80565 hours remaining, 208.023438 MB of memory in use. ENERGY: 2840800 775.8575 2080.2846 1928.9654 106.0342 -206424.1111 17740.7381 0.0000 0.0000 34382.2902 -149409.9412 300.2691 -183792.2314 -149322.8524 299.2941 -63.4660 -31.3441 556596.5771 1.7784 1.7272 PRESSURE: 2841000 -171.403 79.9967 0.474258 79.9956 -199.958 -7.06867 0.473542 -7.06835 -124.993 GPRESSURE: 2841000 -154.875 100.437 42.6888 63.257 -147.184 30.6935 -26.7797 -39.1168 -102.929 PRESSAVG: 2841000 -41.4867 9.89711 -53.1231 9.89713 32.216 -7.57948 -53.1232 -7.57935 20.3358 GPRESSAVG: 2841000 -40.71 7.53981 -54.9187 12.5599 31.5141 -9.51475 -51.4473 -8.19231 20.4014 TIMING: 2841000 CPU: 8558.3, 0.00303227/step Wall: 8558.3, 0.00303227/step, 1.81852 hours remaining, 208.023438 MB of memory in use. ENERGY: 2841000 757.8679 2095.8834 1943.9767 102.2204 -205929.5900 17518.8650 0.0000 0.0000 34052.3406 -149458.4359 297.3876 -183510.7765 -149369.1701 299.4957 -165.4510 -134.9957 557909.9985 3.6884 3.7352 PRESSURE: 2841200 -103.441 118.984 25.7145 118.985 -112.73 -34.8804 25.7127 -34.8803 -239.194 GPRESSURE: 2841200 -95.9321 110.661 12.6913 85.3267 -83.5593 -75.7237 19.9347 -46.2745 -182.073 PRESSAVG: 2841200 -8.70567 -4.38113 11.6739 -4.38114 5.12737 11.5349 11.6738 11.5348 -24.9475 GPRESSAVG: 2841200 -8.68068 -2.35363 10.4435 -4.57469 5.18578 11.7133 13.2531 13.0535 -24.6923 TIMING: 2841200 CPU: 8558.89, 0.00298898/step Wall: 8558.89, 0.00298898/step, 1.79239 hours remaining, 208.429688 MB of memory in use. ENERGY: 2841200 776.5747 2083.0818 1922.0024 104.6781 -206130.7831 17611.3794 0.0000 0.0000 34193.5974 -149439.4693 298.6212 -183633.0667 -149350.7331 298.9183 -151.7885 -120.5214 557777.0727 -9.5086 -9.3957 PRESSURE: 2841400 102.995 -96.2721 -127.859 -96.2706 51.6233 9.46585 -127.86 9.46535 -45.5833 GPRESSURE: 2841400 107.359 -119.679 -125.816 -191.651 178.459 56.8631 -109.357 -64.835 -82.6556 PRESSAVG: 2841400 -6.49243 -14.6068 -27.181 -14.6068 46.3482 37.6834 -27.181 37.6835 26.1723 GPRESSAVG: 2841400 -6.51688 -14.2094 -24.8966 -15.8466 45.6943 38.0646 -30.2466 36.3196 26.6435 TIMING: 2841400 CPU: 8559.49, 0.00298786/step Wall: 8559.49, 0.00298786/step, 1.79155 hours remaining, 208.429688 MB of memory in use. ENERGY: 2841400 761.7891 2068.3782 1891.0002 108.4469 -206508.8235 18019.1709 0.0000 0.0000 34107.8297 -149552.2085 297.8722 -183660.0382 -149457.3572 299.0917 36.3451 67.7207 557090.0788 22.0094 21.9403 PRESSURE: 2841600 -104.488 -61.8212 -209.885 -61.8205 -81.6758 -0.333729 -209.887 -0.334895 -201.324 GPRESSURE: 2841600 -103.849 -4.69388 -211.398 -117.61 17.2136 -18.8699 -76.5512 -8.4076 -207.29 PRESSAVG: 2841600 37.3929 -36.0972 -5.89701 -36.0973 -40.6301 -35.5437 -5.89704 -35.5437 -21.1861 GPRESSAVG: 2841600 37.1949 -39.1555 -6.16457 -35.4954 -40.1176 -35.0712 -5.44041 -36.2161 -21.0952 TIMING: 2841600 CPU: 8560.09, 0.00300117/step Wall: 8560.09, 0.00300117/step, 1.79937 hours remaining, 208.429688 MB of memory in use. ENERGY: 2841600 733.1732 2082.9446 1939.0419 115.5848 -206331.0908 17630.4341 0.0000 0.0000 34403.5645 -149426.3477 300.4549 -183829.9122 -149321.6274 298.5049 -129.1627 -97.9751 556689.0831 -8.1411 -8.0060 PRESSURE: 2841800 513.38 -102.452 -7.7121 -102.451 -4.22608 -27.4138 -7.71127 -27.4132 7.72451 GPRESSURE: 2841800 516.128 -42.1222 54.6802 -166.383 38.2352 13.8929 -19.9326 -5.96097 60.4785 PRESSAVG: 2841800 8.5865 21.4486 -24.1969 21.4486 -46.5263 36.7497 -24.1969 36.7495 -26.5418 GPRESSAVG: 2841800 9.40685 22.7693 -24.9817 20.6322 -46.585 35.8582 -23.0113 37.7377 -26.5472 TIMING: 2841800 CPU: 8560.69, 0.00297766/step Wall: 8560.69, 0.00297766/step, 1.78511 hours remaining, 208.429688 MB of memory in use. ENERGY: 2841800 735.9298 2093.0139 1945.6601 108.3455 -206373.1191 17835.6654 0.0000 0.0000 34126.5039 -149528.0006 298.0352 -183654.5045 -149427.8502 298.1304 172.2929 204.9472 555083.9146 -21.4939 -21.2418 PRESSURE: 2842000 -368.021 26.2291 122.513 26.2292 -288.384 -27.8249 122.514 -27.8246 -251.815 GPRESSURE: 2842000 -363.454 -23.0945 127.105 139.412 -289.779 -68.4297 87.7738 -21.6265 -162.044 PRESSAVG: 2842000 0.55863 34.6266 -40.4163 34.6266 32.0008 -32.7863 -40.4163 -32.7862 -51.3833 GPRESSAVG: 2842000 0.85385 34.4975 -39.1383 35.6328 32.4561 -32.5141 -40.3917 -34.6559 -51.8085 TIMING: 2842000 CPU: 8561.29, 0.0030006/step Wall: 8561.29, 0.0030006/step, 1.79869 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: 2842000 767.0032 2106.9063 1960.3580 123.4359 -205507.0708 17144.5598 0.0000 0.0000 33939.8842 -149464.9234 296.4055 -183404.8076 -149368.4827 298.5246 -302.7399 -271.7589 557239.7452 -6.2746 -6.1662 PRESSURE: 2842200 78.7761 177.239 111.035 177.239 -294.123 49.1477 111.035 49.1481 58.6238 GPRESSURE: 2842200 91.9641 128.605 163.464 221.826 -165.113 117.448 156.568 77.599 13.9525 PRESSAVG: 2842200 -11.0675 95.6045 36.0954 95.6046 -29.2836 4.39229 36.0954 4.39227 16.0258 GPRESSAVG: 2842200 -12.5928 96.0959 36.7764 97.8139 -28.6711 2.67807 36.636 6.7938 17.0196 TIMING: 2842200 CPU: 8561.89, 0.00302624/step Wall: 8561.89, 0.00302624/step, 1.81389 hours remaining, 208.429688 MB of memory in use. ENERGY: 2842200 715.4234 2100.7581 1940.9163 118.8147 -206046.0106 17611.3919 0.0000 0.0000 34196.4639 -149362.2424 298.6462 -183558.7063 -149269.1802 298.6284 -52.2410 -19.7321 555770.9114 -8.1084 -8.0815 PRESSURE: 2842400 64.582 -105.662 -55.5109 -105.662 -52.1594 -35.7092 -55.5105 -35.7086 130.538 GPRESSURE: 2842400 142.719 -33.8378 -48.9176 -35.955 -47.7073 14.0014 -53.8918 -21.5804 137.325 PRESSAVG: 2842400 35.6581 11.1673 41.5166 11.1673 -15.7783 -30.7731 41.5165 -30.7731 -12.9898 GPRESSAVG: 2842400 37.2272 10.6032 40.1329 9.67733 -17.1649 -30.1432 41.0934 -30.5651 -13.3344 TIMING: 2842400 CPU: 8562.49, 0.00299865/step Wall: 8562.49, 0.00299865/step, 1.79719 hours remaining, 208.429688 MB of memory in use. ENERGY: 2842400 743.0745 2111.3089 1958.7059 119.1048 -206037.3332 17799.7352 0.0000 0.0000 34149.6388 -149155.7651 298.2373 -183305.4039 -149059.3667 299.2016 47.6535 77.4457 557406.5526 2.2966 2.2426 PRESSURE: 2842600 252.099 117.303 -54.1393 117.305 173.064 -197.284 -54.1388 -197.286 -88.4615 GPRESSURE: 2842600 300.593 126.808 -102.609 104.139 183.255 -235.441 1.75765 -141.489 -49.8416 PRESSAVG: 2842600 56.0848 -29.6044 -7.80262 -29.6044 -11.9705 -50.1019 -7.80263 -50.102 -37.8604 GPRESSAVG: 2842600 54.1563 -31.2834 -6.6633 -30.0986 -10.9916 -47.7928 -8.76288 -51.5837 -37.1664 TIMING: 2842600 CPU: 8563.09, 0.0029973/step Wall: 8563.09, 0.0029973/step, 1.79622 hours remaining, 208.429688 MB of memory in use. ENERGY: 2842600 771.1568 2098.9872 1943.1805 115.3932 -206108.2251 17952.4038 0.0000 0.0000 34014.0025 -149213.1010 297.0527 -183227.1035 -149123.4101 299.5324 112.2336 144.6687 557114.0733 2.0846 1.9994 PRESSURE: 2842800 -196.542 7.42389 61.3489 7.42412 121.429 -26.8673 61.3484 -26.8667 152.433 GPRESSURE: 2842800 -163.592 54.7811 72.8871 -57.3868 111.832 -28.043 128.112 -31.6255 213.731 PRESSAVG: 2842800 14.2928 -49.9403 -24.9854 -49.9403 54.0559 -31.1675 -24.9854 -31.1676 -61.5175 GPRESSAVG: 2842800 15.6155 -47.7587 -24.7478 -50.1841 53.5323 -33.0022 -24.6026 -32.0464 -62.0825 TIMING: 2842800 CPU: 8563.69, 0.002997/step Wall: 8563.69, 0.002997/step, 1.79587 hours remaining, 208.429688 MB of memory in use. ENERGY: 2842800 695.1304 2082.4322 1936.7425 123.1572 -205939.9215 17672.2533 0.0000 0.0000 34256.7452 -149173.4607 299.1727 -183430.2059 -149077.4741 298.4494 25.7734 53.9904 558552.0523 2.2771 2.3551 PRESSURE: 2843000 -132.572 -85.2309 -56.3348 -85.2309 15.4071 166.616 -56.3357 166.616 34.9573 GPRESSURE: 2843000 -89.1203 -218.367 -83.3403 3.96527 29.3013 131.895 17.3162 202.657 72.2321 PRESSAVG: 2843000 -29.3892 19.9415 21.3298 19.9414 -8.96772 -3.20938 21.3297 -3.20933 22.9709 GPRESSAVG: 2843000 -29.6398 17.9773 21.507 20.9018 -9.57808 -3.07631 20.5992 -1.82148 23.4463 TIMING: 2843000 CPU: 8564.29, 0.0030129/step Wall: 8564.29, 0.0030129/step, 1.80523 hours remaining, 208.429688 MB of memory in use. ENERGY: 2843000 752.2828 2084.7935 1936.2287 103.3572 -206143.2210 17935.9010 0.0000 0.0000 34239.5124 -149091.1454 299.0222 -183330.6578 -149002.0342 299.1225 -27.4024 4.1377 557979.6032 -5.1287 -5.2572 PRESSURE: 2843200 -25.9739 223.572 17.9233 223.573 198.445 163.456 17.9223 163.456 88.2186 GPRESSURE: 2843200 10.5818 259.33 54.4293 165.28 198.901 157.77 70.0091 46.2394 147.827 PRESSAVG: 2843200 -47.5566 2.29253 14.6735 2.29255 17.7757 14.7726 14.6735 14.7726 -6.70223 GPRESSAVG: 2843200 -47.0746 2.84315 14.6821 0.538215 18.0643 12.9693 15.9639 15.036 -7.62759 TIMING: 2843200 CPU: 8564.89, 0.00300736/step Wall: 8564.89, 0.00300736/step, 1.80174 hours remaining, 208.429688 MB of memory in use. ENERGY: 2843200 764.8268 2063.2262 1966.1834 110.6300 -206129.5438 17969.8167 0.0000 0.0000 34254.4016 -149000.4591 299.1522 -183254.8607 -148905.1315 299.2625 86.8967 119.1032 558358.4905 -12.1610 -12.2127 PRESSURE: 2843400 -136.986 11.7352 -54.7761 11.7347 -163.615 28.0978 -54.7769 28.0977 40.8956 GPRESSURE: 2843400 -132.777 -17.2379 -78.1902 28.102 -70.6377 105.119 -9.85297 0.339601 37.08 PRESSAVG: 2843400 -33.6534 18.3739 -26.9775 18.374 -9.71858 -22.912 -26.9775 -22.9121 63.9373 GPRESSAVG: 2843400 -34.4306 18.1989 -27.2121 19.9904 -9.91045 -20.0412 -28.7204 -25.4449 64.1091 TIMING: 2843400 CPU: 8565.49, 0.00298036/step Wall: 8565.49, 0.00298036/step, 1.7854 hours remaining, 208.429688 MB of memory in use. ENERGY: 2843400 733.6304 2119.6410 1956.9329 109.8917 -206012.0260 17682.3439 0.0000 0.0000 34353.1330 -149056.4532 300.0145 -183409.5862 -148963.8483 299.7870 -86.5682 -55.4449 557414.0113 6.8551 6.5893 PRESSURE: 2843600 -114.063 17.2889 -161.398 17.2893 -230.098 132.825 -161.397 132.826 -290.649 GPRESSURE: 2843600 -70.2004 17.215 -110.327 -17.7561 -184.71 40.7911 -134.005 138.413 -283.068 PRESSAVG: 2843600 52.8347 2.80079 29.2334 2.80081 -77.4435 -34.2372 29.2334 -34.2372 60.0542 GPRESSAVG: 2843600 52.6932 3.40902 30.0994 -0.184241 -76.4285 -33.246 30.4249 -34.0524 59.2622 TIMING: 2843600 CPU: 8566.08, 0.00297159/step Wall: 8566.08, 0.00297159/step, 1.77998 hours remaining, 208.429688 MB of memory in use. ENERGY: 2843600 765.1389 2074.6062 1939.9848 119.6485 -205752.3887 17605.8647 0.0000 0.0000 34190.9909 -149056.1548 298.5984 -183247.1457 -148957.6064 300.0993 -211.6036 -179.3261 559310.6793 11.8151 11.8423 PRESSURE: 2843800 -163.535 143.624 106.551 143.624 70.4066 75.121 106.552 75.1203 -45.6469 GPRESSURE: 2843800 -146.14 176.804 103.587 113.848 67.4175 -4.06149 87.3973 117.648 27.4679 PRESSAVG: 2843800 -24.6253 -14.3553 26.0434 -14.3553 -42.0164 -21.3475 26.0434 -21.3475 48.7793 GPRESSAVG: 2843800 -25.2727 -14.0419 24.8641 -13.2152 -42.2688 -25.0098 27.1418 -20.1623 49.4326 TIMING: 2843800 CPU: 8566.68, 0.00295775/step Wall: 8566.68, 0.00295775/step, 1.77153 hours remaining, 208.429688 MB of memory in use. ENERGY: 2843800 761.3661 2045.3642 1961.9418 113.6531 -205931.0700 17833.6229 0.0000 0.0000 34278.0580 -148937.0640 299.3588 -183215.1219 -148846.7444 299.5111 -46.2583 -17.0848 558741.0752 -5.9542 -6.0363 PRESSURE: 2844000 -26.3718 37.8393 193.929 37.8399 -84.0059 60.3905 193.928 60.3913 52.1208 GPRESSURE: 2844000 21.637 86.4238 226.902 44.2538 -12.2167 91.169 259.288 -24.2859 29.6413 PRESSAVG: 2844000 -31.6233 0.144605 26.1066 0.144521 -23.9661 50.0659 26.1067 50.0659 22.5171 GPRESSAVG: 2844000 -31.8064 -1.76706 24.6306 1.25432 -24.4794 51.89 26.074 48.4415 22.6964 TIMING: 2844000 CPU: 8567.28, 0.00301138/step Wall: 8567.28, 0.00301138/step, 1.80348 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: 2844000 742.4046 2055.6006 1939.2438 104.3914 -205966.8245 17796.3619 0.0000 0.0000 34282.2611 -149046.5611 299.3955 -183328.8222 -148945.4269 299.8835 -19.4190 13.0205 558172.2523 -11.0241 -11.1964 PRESSURE: 2844200 -133.671 31.8842 -164.297 31.8838 76.9497 -120.56 -164.298 -120.561 -27.0341 GPRESSURE: 2844200 -107.16 91.8031 -146.398 50.5685 108.385 -145.265 -148.359 -145.393 12.0939 PRESSAVG: 2844200 6.52608 58.2074 -8.79292 58.2075 -54.5578 15.6502 -8.79296 15.6502 52.91 GPRESSAVG: 2844200 6.8086 58.3965 -7.65504 58.2664 -56.2706 14.0928 -11.0089 18.8385 53.5534 TIMING: 2844200 CPU: 8567.87, 0.00297637/step Wall: 8567.87, 0.00297637/step, 1.78235 hours remaining, 208.429688 MB of memory in use. ENERGY: 2844200 726.9719 2059.3841 1932.0804 107.9608 -205643.6546 17370.9952 0.0000 0.0000 34507.4262 -148938.8361 301.3619 -183446.2623 -148834.9646 299.9882 -27.9186 4.4396 556491.6923 1.6261 1.3638 LDB: ============= START OF LOAD BALANCING ============== 8571.39 LDB: ============== END OF LOAD BALANCING =============== 8571.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8571.39 LDB: ============= START OF LOAD BALANCING ============== 8571.69 LDB: Largest compute 4772 load 0.029235 is 24.7% of average load 0.118202 LDB: Average compute 0.001728 is 1.5% of average load 0.118202 LDB: TIME 8571.69 LOAD: AVG 0.118202 MAX 0.205887 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.285 MB LDB: TIME 8571.69 LOAD: AVG 0.118202 MAX 0.205887 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.285 MB LDB: TIME 8571.69 LOAD: AVG 0.118202 MAX 0.205887 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.285 MB LDB: ============== END OF LOAD BALANCING =============== 8571.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8571.7 PRESSURE: 2844400 -75.0262 171.551 -15.4331 171.551 27.8392 -11.5125 -15.4319 -11.5128 -145.334 GPRESSURE: 2844400 -7.27157 123.629 -29.0008 165.101 88.0265 -20.5027 -91.896 -37.0904 -172.936 PRESSAVG: 2844400 116.105 54.6293 -66.3433 54.6293 -41.7546 -20.8427 -66.3433 -20.8427 -50.8168 GPRESSAVG: 2844400 116.153 55.019 -65.4126 53.0307 -39.9145 -21.12 -66.9992 -22.3207 -52.4535 TIMING: 2844400 CPU: 8568.48, 0.00304097/step Wall: 8568.48, 0.00304097/step, 1.82087 hours remaining, 210.539062 MB of memory in use. ENERGY: 2844400 769.5224 2061.0424 1910.3262 110.0369 -205932.7792 17741.3926 0.0000 0.0000 34323.7495 -149016.7093 299.7578 -183340.4587 -148914.5422 300.0326 -64.1737 -30.7269 557178.7149 7.8445 7.9283 PRESSURE: 2844600 78.0076 -130.532 132.409 -130.533 95.5243 8.78276 132.409 8.78261 102.359 GPRESSURE: 2844600 68.8493 -159.518 168.017 -159.37 119.001 44.3049 140.395 -4.75181 176.809 PRESSAVG: 2844600 67.1519 40.4611 -40.6565 40.461 -86.3306 -31.4732 -40.6565 -31.4732 -39.4689 GPRESSAVG: 2844600 67.8255 40.022 -41.3861 40.0258 -87.784 -28.7133 -38.0754 -33.2094 -38.6964 TIMING: 2844600 CPU: 8569.08, 0.00297955/step Wall: 8569.08, 0.00297955/step, 1.78392 hours remaining, 210.683594 MB of memory in use. ENERGY: 2844600 758.8934 2084.8587 1907.9097 124.2804 -205955.1268 17759.5201 0.0000 0.0000 34342.0258 -148977.6387 299.9175 -183319.6645 -148881.3157 299.7179 91.9636 121.5531 557944.9167 -19.5492 -19.5517 PRESSURE: 2844800 -212.693 -37.7 -0.106701 -37.7002 -102.189 -28.6439 -0.105018 -28.6442 161.662 GPRESSURE: 2844800 -182.651 -71.5606 13.5534 -33.6346 -65.7634 -76.555 -9.5768 -14.1704 192.21 PRESSAVG: 2844800 45.7573 -4.25334 1.37804 -4.25335 -9.78713 -3.26785 1.37807 -3.26776 22.9068 GPRESSAVG: 2844800 44.9395 -4.02697 1.60682 -3.33301 -8.10903 -5.09352 0.583544 -0.572176 22.1576 TIMING: 2844800 CPU: 8569.67, 0.00297686/step Wall: 8569.67, 0.00297686/step, 1.78215 hours remaining, 210.683594 MB of memory in use. ENERGY: 2844800 782.0478 2108.0548 1912.3079 121.1113 -206123.9051 17735.9611 0.0000 0.0000 34454.7394 -149009.6828 300.9018 -183464.4222 -148919.1370 300.2645 -51.0736 -18.7347 558674.7172 19.6257 19.6627 PRESSURE: 2845000 -29.4993 32.944 -66.0465 32.9435 79.693 -138.784 -66.0464 -138.783 -261.454 GPRESSURE: 2845000 7.31525 -10.5022 -24.4492 72.9991 100.541 -205.608 -13.273 -85.1636 -214.492 PRESSAVG: 2845000 37.1914 3.76616 -15.0827 3.76611 -70.2862 -44.3927 -15.0827 -44.3928 45.0127 GPRESSAVG: 2845000 38.2976 2.60211 -15.4685 4.95988 -71.9877 -44.8127 -15.5548 -44.6581 45.2758 TIMING: 2845000 CPU: 8570.27, 0.00299007/step Wall: 8570.27, 0.00299007/step, 1.78989 hours remaining, 210.683594 MB of memory in use. ENERGY: 2845000 747.6054 2094.1531 1920.0716 106.9398 -205966.9128 17890.7386 0.0000 0.0000 34306.2066 -148901.1976 299.6046 -183207.4042 -148801.4325 300.3004 -70.4201 -35.5451 559164.4095 3.9727 3.8619 PRESSURE: 2845200 117.429 94.0516 -47.4185 94.0529 65.1491 69.9887 -47.4172 69.9899 -188.654 GPRESSURE: 2845200 157.45 83.4689 19.7982 81.3024 102.278 94.103 -58.4415 93.5576 -168.45 PRESSAVG: 2845200 4.71091 6.16447 -13.9091 6.16439 -17.9781 3.93927 -13.9092 3.93934 26.8341 GPRESSAVG: 2845200 4.01898 7.82765 -13.6184 6.7485 -16.9826 5.3808 -12.7647 4.29605 26.5688 TIMING: 2845200 CPU: 8570.87, 0.00298251/step Wall: 8570.87, 0.00298251/step, 1.7852 hours remaining, 210.683594 MB of memory in use. ENERGY: 2845200 727.5982 2167.4452 1934.0179 124.2415 -206419.0505 17880.3783 0.0000 0.0000 34529.4435 -149055.9260 301.5542 -183585.3694 -148957.3081 300.3252 -2.0253 30.4261 557865.8426 4.5223 4.5351 PRESSURE: 2845400 -144.187 -32.7017 50.3715 -32.7002 -211.571 -46.1032 50.371 -46.1017 141.808 GPRESSURE: 2845400 -111.9 27.8198 38.1617 -41.444 -165.616 10.4218 -3.44471 -19.2647 156.174 PRESSAVG: 2845400 -12.5787 23.809 -14.1965 23.8089 -12.3763 43.7499 -14.1964 43.75 34.2981 GPRESSAVG: 2845400 -12.4465 24.7753 -14.2287 22.3529 -13.2038 44.2028 -14.0098 42.6976 34.8537 TIMING: 2845400 CPU: 8571.46, 0.00298132/step Wall: 8571.46, 0.00298132/step, 1.78432 hours remaining, 210.683594 MB of memory in use. ENERGY: 2845400 733.1521 2122.3313 1929.1037 111.8013 -206295.0529 17923.8232 0.0000 0.0000 34386.6613 -149088.1800 300.3073 -183474.8413 -148995.2137 300.1345 -71.3170 -40.4476 558378.8468 3.1143 3.0678 PRESSURE: 2845600 -85.711 -66.4155 2.65826 -66.4153 25.5283 -109.706 2.65778 -109.707 76.1077 GPRESSURE: 2845600 -89.6898 -63.2908 33.5618 20.8614 69.1872 -67.2913 -85.1141 -154.122 133.732 PRESSAVG: 2845600 -23.9019 -12.9532 49.2152 -12.9531 4.76433 -28.47 49.2153 -28.47 42.5366 GPRESSAVG: 2845600 -23.3492 -13.5424 48.1778 -11.6561 4.69581 -29.9793 50.4622 -27.5432 41.6049 TIMING: 2845600 CPU: 8572.06, 0.00296417/step Wall: 8572.06, 0.00296417/step, 1.77389 hours remaining, 210.683594 MB of memory in use. ENERGY: 2845600 754.6364 2100.9155 1947.5248 108.9274 -206042.5297 17666.8642 0.0000 0.0000 34485.5935 -148978.0680 301.1713 -183463.6615 -148876.3363 300.4951 5.3083 37.7432 555609.7815 7.7997 7.6505 PRESSURE: 2845800 -171.871 87.3191 53.1939 87.3181 -92.9204 121.113 53.1951 121.116 -165.916 GPRESSURE: 2845800 -120.422 15.7516 31.4422 172.539 -70.2943 137.893 111.461 108.192 -137.099 PRESSAVG: 2845800 -38.9649 -5.48905 10.1732 -5.4891 12.1558 -24.7876 10.1732 -24.7876 -19.1729 GPRESSAVG: 2845800 -39.9052 -5.63123 12.8865 -6.76567 12.6487 -25.294 7.53055 -25.2528 -18.2256 TIMING: 2845800 CPU: 8572.65, 0.0029782/step Wall: 8572.65, 0.0029782/step, 1.78212 hours remaining, 210.683594 MB of memory in use. ENERGY: 2845800 744.4474 2104.5673 1926.8593 111.3051 -205694.7167 17483.5439 0.0000 0.0000 34431.1518 -148892.8420 300.6958 -183323.9938 -148797.7889 300.2837 -143.5692 -109.2718 557872.8977 -15.3273 -15.1607 PRESSURE: 2846000 -149.114 39.9897 -28.5424 39.9895 -214.846 8.47355 -28.5414 8.47407 -255.649 GPRESSURE: 2846000 -133.573 59.624 2.02165 31.4271 -131.906 5.29257 74.0832 21.4285 -252.216 PRESSAVG: 2846000 -37.133 -15.7434 -15.8924 -15.7435 50.6493 47.8036 -15.8923 47.8036 -43.9828 GPRESSAVG: 2846000 -36.2159 -17.1106 -16.2701 -15.2063 50.6839 50.3884 -14.8205 46.4575 -45.137 TIMING: 2846000 CPU: 8573.25, 0.00297265/step Wall: 8573.25, 0.00297265/step, 1.77864 hours remaining, 210.683594 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: 2846000 792.7404 2095.3409 1960.7488 104.9337 -205772.9334 17729.4711 0.0000 0.0000 34532.4732 -148557.2254 301.5807 -183089.6986 -148459.4686 300.6312 -206.5366 -172.5650 560910.1811 -10.1555 -10.2230 PRESSURE: 2846200 81.6061 85.0704 -70.2871 85.07 152.29 -16.7269 -70.2877 -16.7256 93.7969 GPRESSURE: 2846200 126.284 69.8093 -23.1028 64.2753 166.609 -97.7658 -49.0983 -43.7462 138.344 PRESSAVG: 2846200 -49.4082 23.3453 -25.2806 23.3453 12.4896 -0.0536272 -25.2805 -0.0536387 -1.08999 GPRESSAVG: 2846200 -49.334 24.7509 -24.8199 22.8387 12.4281 -1.43867 -26.653 -0.377252 -1.14222 TIMING: 2846200 CPU: 8573.84, 0.00297536/step Wall: 8573.84, 0.00297536/step, 1.78009 hours remaining, 210.683594 MB of memory in use. ENERGY: 2846200 708.6542 2125.7738 1934.7650 118.4541 -205984.0998 17765.2190 0.0000 0.0000 34487.7670 -148843.4667 301.1902 -183331.2337 -148746.3996 301.0276 109.2310 143.7457 556186.9584 -12.6695 -12.6827 PRESSURE: 2846400 -194.697 101.962 103.015 101.962 -114.752 111.441 103.014 111.441 -117.59 GPRESSURE: 2846400 -154.561 158.522 63.256 130.117 -58.2752 45.6611 79.5817 89.3678 -124.517 PRESSAVG: 2846400 17.8079 21.474 24.3929 21.4739 -100.372 23.1039 24.3929 23.1039 63.7469 GPRESSAVG: 2846400 16.2375 22.4495 22.8642 19.7099 -100.096 22.0039 24.8953 23.7272 64.8406 TIMING: 2846400 CPU: 8574.44, 0.00298491/step Wall: 8574.44, 0.00298491/step, 1.78564 hours remaining, 210.683594 MB of memory in use. ENERGY: 2846400 774.6753 2113.2629 1927.4914 105.5928 -205549.6719 17410.4845 0.0000 0.0000 34472.9262 -148745.2387 301.0606 -183218.1650 -148649.6194 300.7062 -142.3463 -112.4511 556541.1419 -6.2725 -6.3392 PRESSURE: 2846600 18.1552 -82.0751 176.486 -82.0771 -158.021 -21.5222 176.487 -21.5259 7.2985 GPRESSURE: 2846600 69.9099 -107.901 239.31 9.88018 -106.929 -0.498691 181.988 -35.2576 10.9349 PRESSAVG: 2846600 26.369 -7.5724 1.84984 -7.57248 14.9023 -33.7436 1.8499 -33.7435 -39.4755 GPRESSAVG: 2846600 27.7911 -8.38597 1.87125 -7.24182 14.9018 -34.6617 3.06276 -34.2149 -40.6806 TIMING: 2846600 CPU: 8575.04, 0.00299267/step Wall: 8575.04, 0.00299267/step, 1.79011 hours remaining, 210.683594 MB of memory in use. ENERGY: 2846600 771.8755 2125.5522 1939.2914 121.2107 -205846.2428 17655.4027 0.0000 0.0000 34396.0064 -148836.9039 300.3889 -183232.9103 -148743.5409 300.4854 -44.1890 -8.6949 557365.4501 0.5986 0.6708 PRESSURE: 2846800 34.4209 -86.4397 29.2323 -86.44 -149.625 60.6372 29.2328 60.6383 108.244 GPRESSURE: 2846800 37.0704 -146.578 -41.5005 -44.0845 -133.924 95.9069 95.6603 22.5883 175.884 PRESSAVG: 2846800 33.3696 -27.3797 -3.04812 -27.3797 -32.1697 36.24 -3.04807 36.2399 31.7032 GPRESSAVG: 2846800 32.1146 -27.4873 -2.16322 -24.7535 -32.1309 36.6343 -3.58281 37.8202 32.8296 TIMING: 2846800 CPU: 8575.65, 0.00305198/step Wall: 8575.65, 0.00305198/step, 1.82542 hours remaining, 210.683594 MB of memory in use. ENERGY: 2846800 756.6114 2086.9601 1953.0526 129.3765 -205993.9117 17758.4252 0.0000 0.0000 34393.9855 -148915.5004 300.3712 -183309.4859 -148806.1732 299.9387 -2.3201 26.3434 557852.1732 10.9677 10.9378 PRESSURE: 2847000 55.2913 120.798 73.3001 120.798 62.3815 18.2332 73.2999 18.2333 -141.564 GPRESSURE: 2847000 101.072 46.1198 93.6296 151.143 55.3889 -22.529 59.0089 59.0584 -86.0021 PRESSAVG: 2847000 7.66913 -6.46415 32.7983 -6.46411 17.3414 -4.55911 32.7984 -4.55919 -28.0361 GPRESSAVG: 2847000 7.34063 -7.35638 32.5632 -6.57955 18.5078 -3.81134 32.1893 -5.04735 -29.1854 TIMING: 2847000 CPU: 8576.26, 0.00306554/step Wall: 8576.26, 0.00306554/step, 1.83336 hours remaining, 210.683594 MB of memory in use. ENERGY: 2847000 777.3883 2092.1212 1922.3968 116.0395 -205934.7092 17673.8329 0.0000 0.0000 34511.8663 -148841.0643 301.4007 -183352.9306 -148749.9926 300.4067 -7.9637 23.4864 557990.5530 -1.0085 -1.1123 PRESSURE: 2847200 -40.545 74.6617 20.2972 74.6617 55.1677 49.5855 20.298 49.5853 -4.50509 GPRESSURE: 2847200 -47.8699 113.779 -30.0615 106.572 93.2483 53.1878 154.875 134.499 49.2515 PRESSAVG: 2847200 -9.72427 4.22996 53.5124 4.23 6.00853 -12.2482 53.5124 -12.2481 -0.0487882 GPRESSAVG: 2847200 -10.2626 2.73195 52.0803 4.35687 5.4133 -11.0062 55.0713 -12.1018 0.920628 TIMING: 2847200 CPU: 8576.86, 0.00300362/step Wall: 8576.86, 0.00300362/step, 1.79617 hours remaining, 210.683594 MB of memory in use. ENERGY: 2847200 746.8779 2080.5347 1883.9828 113.8262 -205761.1376 17599.9545 0.0000 0.0000 34356.7994 -148979.1621 300.0465 -183335.9616 -148878.2632 299.7334 3.3726 31.5433 557521.3169 -1.2548 -1.3096 PRESSURE: 2847400 -27.5453 133.394 -50.6133 133.394 -66.2488 66.4434 -50.614 66.4435 -93.875 GPRESSURE: 2847400 14.978 149.827 -25.7791 116.446 -44.8847 124.076 -57.1613 64.5992 -65.2924 PRESSAVG: 2847400 65.7185 -58.7458 -15.2495 -58.7458 -6.40327 0.192464 -15.2494 0.192449 -16.132 GPRESSAVG: 2847400 67.1804 -56.5031 -14.3612 -61.0444 -7.01725 -0.230674 -17.2296 -0.420425 -16.6553 TIMING: 2847400 CPU: 8577.46, 0.00297592/step Wall: 8577.46, 0.00297592/step, 1.77943 hours remaining, 211.011719 MB of memory in use. ENERGY: 2847400 751.2854 2115.0021 1909.2508 104.6303 -205753.4403 17645.0798 0.0000 0.0000 34218.6373 -149009.5547 298.8399 -183228.1920 -148908.3961 299.6504 -62.5564 -31.7330 557876.2829 14.3944 14.5026 PRESSURE: 2847600 102.932 -57.319 58.0813 -57.3196 15.7467 62.5069 58.0822 62.5084 -20.1551 GPRESSURE: 2847600 105.698 3.66717 71.3592 -38.8937 138.753 71.9174 24.3969 98.7673 -43.5862 PRESSAVG: 2847600 54.4206 42.2148 0.0408167 42.2147 5.42461 36.0911 0.0408235 36.0911 -49.2005 GPRESSAVG: 2847600 53.5201 43.8298 0.65986 43.3302 5.80825 34.5074 -2.42367 35.5249 -48.6525 TIMING: 2847600 CPU: 8578.06, 0.00300499/step Wall: 8578.06, 0.00300499/step, 1.79665 hours remaining, 211.011719 MB of memory in use. ENERGY: 2847600 769.1149 2084.2167 1947.7348 104.4238 -205792.6810 17675.3355 0.0000 0.0000 34093.8183 -149118.0368 297.7498 -183211.8551 -149024.8713 299.2130 32.8413 66.9549 557176.6489 3.5482 3.5586 PRESSURE: 2847800 -64.1533 170.143 63.9891 170.144 -46.1641 42.1948 63.9898 42.195 45.3636 GPRESSURE: 2847800 -23.3899 146.844 62.9672 180.419 -8.73793 106.533 -33.592 6.75517 64.7236 PRESSAVG: 2847800 -9.17904 33.2462 -52.7607 33.2462 -0.87478 2.42352 -52.7607 2.42348 0.0462235 GPRESSAVG: 2847800 -8.84054 31.3363 -53.5946 33.1153 0.322495 2.8969 -51.2063 3.87385 -1.4626 TIMING: 2847800 CPU: 8578.65, 0.00297493/step Wall: 8578.65, 0.00297493/step, 1.77851 hours remaining, 211.011719 MB of memory in use. ENERGY: 2847800 760.2556 2083.2462 1898.2396 105.8699 -206106.8700 17835.2778 0.0000 0.0000 34450.8681 -148973.1128 300.8680 -183423.9809 -148872.4953 299.7614 -21.6513 10.8652 558947.1911 -3.3359 -3.3269 PRESSURE: 2848000 289.037 26.8282 -228.635 26.8307 174.015 20.7485 -228.635 20.7495 65.6555 GPRESSURE: 2848000 369.755 -58.125 -154.85 15.3078 197.361 -24.6786 -272.744 96.7692 62.2036 PRESSAVG: 2848000 79.8952 19.559 6.44432 19.5591 -53.5588 14.6905 6.44423 14.6905 -42.4849 GPRESSAVG: 2848000 80.2012 19.0593 6.12748 21.0279 -54.3215 13.3473 6.44219 14.9193 -41.8101 TIMING: 2848000 CPU: 8579.26, 0.00301268/step Wall: 8579.26, 0.00301268/step, 1.80091 hours remaining, 211.011719 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: 2848000 754.3427 2068.5092 1918.0988 109.5836 -206247.6211 18146.6303 0.0000 0.0000 34103.5226 -149146.9338 297.8345 -183250.4564 -149050.7323 299.9973 176.2359 209.7732 556810.8291 -5.3828 -5.3101 PRESSURE: 2848200 205.25 -58.8292 -59.1393 -58.829 -68.2748 -96.3237 -59.1404 -96.3243 -184.974 GPRESSURE: 2848200 159.864 -30.6125 -89.2061 -69.6685 -13.1803 -126.547 -36.3567 -118.501 -91.8581 PRESSAVG: 2848200 35.1347 27.5907 -38.9297 27.5908 -23.3398 28.9042 -38.9298 28.9043 -15.7909 GPRESSAVG: 2848200 34.2139 29.0384 -39.0911 29.3846 -23.3211 30.1255 -37.1018 26.7884 -14.7158 TIMING: 2848200 CPU: 8579.86, 0.00301989/step Wall: 8579.86, 0.00301989/step, 1.80506 hours remaining, 211.011719 MB of memory in use. ENERGY: 2848200 744.4133 2138.7489 1936.3606 112.7867 -205990.8867 17687.4315 0.0000 0.0000 34191.1191 -149180.0265 298.5995 -183371.1457 -149087.4241 299.1721 -15.9994 18.2751 557930.3815 -1.3320 -1.2743 LDB: ============= START OF LOAD BALANCING ============== 8583.38 LDB: ============== END OF LOAD BALANCING =============== 8583.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8583.38 LDB: ============= START OF LOAD BALANCING ============== 8583.68 LDB: Largest compute 4772 load 0.029749 is 25.2% of average load 0.118024 LDB: Average compute 0.001737 is 1.5% of average load 0.118024 LDB: TIME 8583.69 LOAD: AVG 0.118024 MAX 0.206788 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.672 MB LDB: TIME 8583.69 LOAD: AVG 0.118024 MAX 0.206788 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.875 MB LDB: TIME 8583.69 LOAD: AVG 0.118024 MAX 0.206788 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.875 MB LDB: ============== END OF LOAD BALANCING =============== 8583.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8583.69 PRESSURE: 2848400 82.6969 -70.6635 -3.49971 -70.6634 -17.3909 -16.0331 -3.4999 -16.0334 20.8564 GPRESSURE: 2848400 102.113 -61.1743 -46.899 -18.4276 61.2196 -65.3894 65.1909 -39.4011 29.0358 PRESSAVG: 2848400 -56.7347 -31.3005 9.52324 -31.3004 24.3705 4.21783 9.52338 4.21792 -0.23734 GPRESSAVG: 2848400 -56.4384 -31.2633 9.35157 -35.7052 23.8693 3.66576 8.30521 5.74048 0.464239 TIMING: 2848400 CPU: 8580.48, 0.00308085/step Wall: 8580.48, 0.00308085/step, 1.84132 hours remaining, 209.972656 MB of memory in use. ENERGY: 2848400 749.8716 2152.8293 1956.4860 109.0818 -206405.8253 17910.7834 0.0000 0.0000 34244.1649 -149282.6083 299.0628 -183526.7733 -149188.6272 298.7099 28.7208 64.1228 558161.0153 -10.8672 -10.7016 PRESSURE: 2848600 -247.295 -42.9433 -0.503559 -42.9429 -152.369 83.1494 -0.503731 83.147 -56.1188 GPRESSURE: 2848600 -178.781 -65.5071 -31.5472 -50.6398 -138.543 49.6338 16.3562 124.204 -36.5762 PRESSAVG: 2848600 -57.6527 -37.1087 -4.05334 -37.1087 125.936 -18.4406 -4.05336 -18.4405 -45.0656 GPRESSAVG: 2848600 -57.5307 -37.8658 -2.47005 -35.2595 125.791 -16.6613 -4.94949 -19.1257 -44.7342 TIMING: 2848600 CPU: 8581.09, 0.00305633/step Wall: 8581.09, 0.00305633/step, 1.8265 hours remaining, 210.097656 MB of memory in use. ENERGY: 2848600 754.2975 2144.7052 1904.3036 113.2487 -205989.1005 17542.8373 0.0000 0.0000 34303.3025 -149226.4056 299.5793 -183529.7081 -149129.6159 299.0585 -151.9275 -117.9665 557844.7573 7.7393 7.8421 PRESSURE: 2848800 60.4125 -78.0606 18.0075 -78.0603 -140.42 72.9228 18.0081 72.9232 -33.2899 GPRESSURE: 2848800 22.3503 -148.791 90.1187 -85.8336 -85.9114 70.5989 -80.193 13.7879 43.4647 PRESSAVG: 2848800 -30.8827 23.3778 40.1995 23.3778 13.9787 8.89272 40.1995 8.89265 9.61845 GPRESSAVG: 2848800 -30.6925 25.626 38.3914 24.6434 13.771 5.97357 40.7803 8.20919 9.71178 TIMING: 2848800 CPU: 8581.69, 0.00300719/step Wall: 8581.69, 0.00300719/step, 1.79696 hours remaining, 210.097656 MB of memory in use. ENERGY: 2848800 716.6151 2108.9711 1911.8639 110.3042 -206038.1922 17747.3812 0.0000 0.0000 34331.7506 -149111.3061 299.8277 -183443.0567 -149007.3223 299.3635 -37.7658 -6.6988 558011.4300 -2.4285 -2.4033 PRESSURE: 2849000 8.3318 89.969 -8.87134 89.971 9.58461 62.9943 -8.87208 62.9942 -272.457 GPRESSURE: 2849000 45.9778 25.5111 -29.9603 90.7424 30.5426 114.568 -95.2072 61.7367 -245.596 PRESSAVG: 2849000 47.9793 -37.0212 -20.9989 -37.0211 -26.3587 9.73653 -20.999 9.73651 -59.6056 GPRESSAVG: 2849000 47.4222 -40.0537 -22.253 -37.6459 -25.4297 10.8531 -20.0983 11.8231 -60.3189 TIMING: 2849000 CPU: 8582.29, 0.0030023/step Wall: 8582.29, 0.0030023/step, 1.79388 hours remaining, 210.097656 MB of memory in use. ENERGY: 2849000 744.4064 2100.2444 1960.6935 116.6306 -206517.5498 18039.7053 0.0000 0.0000 34398.3799 -149157.4896 300.4096 -183555.8696 -149067.8899 299.5723 -84.8468 -56.3585 558038.2073 -12.6617 -12.7755 PRESSURE: 2849200 -70.2396 -80.3194 111.53 -80.3192 -190.524 117.575 111.531 117.574 -195.685 GPRESSURE: 2849200 -22.6374 -137.051 107.418 -40.7255 -179.67 57.2394 67.1591 119.465 -163.05 PRESSAVG: 2849200 21.1291 -15.2491 10.9521 -15.2491 1.05726 -33.6734 10.952 -33.6735 0.508961 GPRESSAVG: 2849200 21.1906 -12.2911 13.3878 -17.9341 1.08384 -33.0825 10.9931 -32.8285 0.381598 TIMING: 2849200 CPU: 8582.88, 0.00296736/step Wall: 8582.88, 0.00296736/step, 1.77283 hours remaining, 210.097656 MB of memory in use. ENERGY: 2849200 751.0913 2130.2569 1917.7226 115.4671 -206054.2246 17623.8062 0.0000 0.0000 34327.5322 -149188.3483 299.7909 -183515.8805 -149095.2802 299.3968 -152.1497 -121.7858 558085.9457 7.5651 7.5520 PRESSURE: 2849400 102.028 -58.0011 14.8861 -58.0015 100.971 5.84714 14.8868 5.8473 66.2057 GPRESSURE: 2849400 183.204 23.0712 23.4013 -92.8514 99.5041 78.189 39.8374 -17.9151 90.5167 PRESSAVG: 2849400 47.026 19.2243 -5.66421 19.2243 -51.3228 31.0799 -5.664 31.08 47.0202 GPRESSAVG: 2849400 47.1963 18.9484 -5.71806 20.6113 -51.4143 29.2253 -7.90397 31.7377 46.9491 TIMING: 2849400 CPU: 8583.48, 0.00298562/step Wall: 8583.48, 0.00298562/step, 1.78358 hours remaining, 210.167969 MB of memory in use. ENERGY: 2849400 739.4664 2013.9673 1942.9109 108.0886 -206163.3803 17879.9752 0.0000 0.0000 34373.1974 -149105.7744 300.1897 -183478.9718 -149017.2042 299.0610 89.7349 124.4082 556707.0170 14.2411 14.2437 PRESSURE: 2849600 -95.1027 -65.3034 70.7711 -65.3049 -132.37 53.0912 70.771 53.0915 -42.115 GPRESSURE: 2849600 -112.152 -80.5258 13.1391 -28.626 -105.06 47.2868 52.3401 103.029 47.3926 PRESSAVG: 2849600 35.6072 48.8674 4.18594 48.8675 -49.9032 -14.6358 4.18598 -14.6359 31.4409 GPRESSAVG: 2849600 34.8868 47.8534 2.25239 50.2215 -50.6616 -13.5886 7.1589 -16.4408 33.0195 TIMING: 2849600 CPU: 8584.08, 0.00301281/step Wall: 8584.08, 0.00301281/step, 1.79965 hours remaining, 210.167969 MB of memory in use. ENERGY: 2849600 730.0597 2115.0283 1944.3449 102.0046 -205609.6456 17561.2933 0.0000 0.0000 34091.2119 -149065.7029 297.7270 -183156.9147 -148975.1065 299.1923 -89.8625 -56.6065 557815.3613 5.7150 5.7482 PRESSURE: 2849800 79.7442 -25.3144 156.55 -25.3143 -174.301 197.446 156.55 197.446 -41.4125 GPRESSURE: 2849800 85.5529 30.1759 198.974 -23.4755 -99.8073 169.67 185.461 222.306 -25.9095 PRESSAVG: 2849800 12.3353 -40.8903 -15.755 -40.8903 58.7033 23.1402 -15.7549 23.1402 -86.0479 GPRESSAVG: 2849800 13.1494 -40.043 -15.1063 -40.8888 59.539 23.269 -15.5725 23.1181 -87.7885 TIMING: 2849800 CPU: 8584.69, 0.00301929/step Wall: 8584.69, 0.00301929/step, 1.80335 hours remaining, 210.167969 MB of memory in use. ENERGY: 2849800 722.9206 2043.2967 1935.3744 104.3111 -205613.6095 17554.7302 0.0000 0.0000 34103.7146 -149149.2619 297.8362 -183252.9765 -149046.6328 299.4438 -45.3232 -13.3880 558464.8812 -5.0031 -5.0334 PRESSURE: 2850000 121.7 -129.505 113.025 -129.504 272.104 13.8532 113.025 13.8515 97.906 GPRESSURE: 2850000 173.471 -168.3 196.172 -155.514 280.813 -4.61793 74.1442 88.049 132.996 PRESSAVG: 2850000 -8.92046 -3.12587 27.6538 -3.1258 38.1956 0.933344 27.6538 0.933305 7.55421 GPRESSAVG: 2850000 -7.4452 -4.99078 28.6464 -2.40577 37.5773 0.54454 26.3562 0.361007 7.04317 TIMING: 2850000 CPU: 8585.28, 0.00297269/step Wall: 8585.28, 0.00297269/step, 1.77536 hours remaining, 210.167969 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: 2850000 730.9924 2094.1170 1940.3590 113.5803 -206780.0487 18222.6503 0.0000 0.0000 34523.1210 -149155.2287 301.4990 -183678.3497 -149062.1194 299.0939 163.9033 195.7598 558977.9636 12.2764 12.3918 PRESSURE: 2850200 -218.686 -95.3287 121.564 -95.3298 -645.517 136.446 121.563 136.447 -252.401 GPRESSURE: 2850200 -225.162 -80.3217 162.064 -64.5653 -575.464 69.83 11.5802 117.903 -211.959 PRESSAVG: 2850200 10.2928 -47.0381 -53.5805 -47.038 -82.3404 -10.2111 -53.5805 -10.211 56.1433 GPRESSAVG: 2850200 8.52074 -48.1108 -54.0359 -46.2272 -81.5484 -10.4645 -53.2781 -8.39446 57.2592 TIMING: 2850200 CPU: 8585.88, 0.0029809/step Wall: 8585.88, 0.0029809/step, 1.78009 hours remaining, 210.167969 MB of memory in use. ENERGY: 2850200 731.6751 2112.3504 1920.5478 141.5779 -206032.2231 17410.7530 0.0000 0.0000 34268.0669 -149447.2520 299.2716 -183715.3189 -149349.1908 299.3478 -372.2016 -337.5282 560226.4055 -5.3014 -5.2562 PRESSURE: 2850400 -108.522 -39.0998 -30.4695 -39.0987 19.8526 -87 -30.469 -86.9994 -34.3547 GPRESSURE: 2850400 -45.6097 -92.1879 65.3951 -24.8181 47.1506 -138.908 1.88094 -136.481 -33.7018 PRESSAVG: 2850400 -40.6508 28.3303 37.2128 28.3303 8.13157 2.85456 37.2129 2.8546 0.153482 GPRESSAVG: 2850400 -39.485 30.7325 37.2819 25.9786 7.02179 3.50219 37.1699 1.93445 0.0324921 TIMING: 2850400 CPU: 8586.47, 0.00297887/step Wall: 8586.47, 0.00297887/step, 1.77871 hours remaining, 210.167969 MB of memory in use. ENERGY: 2850400 758.9633 2050.5863 1936.6710 126.7685 -206276.3163 17889.1419 0.0000 0.0000 34216.4334 -149297.7518 298.8206 -183514.1852 -149201.3215 298.8455 -41.0082 -10.7203 558765.6574 -10.7886 -10.8102 PRESSURE: 2850600 -64.9546 -75.1121 -55.6633 -75.1121 -118.856 79.0487 -55.6646 79.0482 124.535 GPRESSURE: 2850600 -43.4785 -71.0872 -41.1535 -96.9395 -103.76 67.0188 -43.1147 26.2881 166.544 PRESSAVG: 2850600 1.34264 -53.6254 -35.6104 -53.6255 33.9195 -1.07989 -35.6105 -1.07981 -4.60115 GPRESSAVG: 2850600 -0.0960287 -53.624 -37.762 -54.7773 34.1102 0.79536 -35.6655 -1.55328 -4.04984 TIMING: 2850600 CPU: 8587.07, 0.00298566/step Wall: 8587.07, 0.00298566/step, 1.7826 hours remaining, 210.167969 MB of memory in use. ENERGY: 2850600 777.8240 2086.3133 1917.2190 112.4579 -206383.1120 17975.4506 0.0000 0.0000 34248.5525 -149265.2946 299.1011 -183513.8471 -149164.7899 299.2739 -19.7584 6.4352 557688.8197 10.2203 9.9881 PRESSURE: 2850800 -114.985 -0.723047 -59.6573 -0.723679 21.9636 40.4588 -59.6582 40.4556 18.1502 GPRESSURE: 2850800 -84.4865 -20.3069 -41.7852 84.1993 52.1567 -18.9733 -89.3949 43.9344 41.6726 PRESSAVG: 2850800 -39.3577 8.16315 5.47631 8.16309 -11.7352 -6.70121 5.47627 -6.70118 51.338 GPRESSAVG: 2850800 -38.6396 8.58333 6.71517 9.34373 -11.8234 -8.31667 6.70236 -7.61588 50.8465 TIMING: 2850800 CPU: 8587.66, 0.00297786/step Wall: 8587.66, 0.00297786/step, 1.77778 hours remaining, 210.167969 MB of memory in use. ENERGY: 2850800 738.5575 2105.8415 1927.2515 116.4781 -206135.2579 17737.1138 0.0000 0.0000 34132.4704 -149377.5451 298.0874 -183510.0155 -149286.8560 298.6939 -24.9572 3.1142 558035.2148 0.0817 0.1279 PRESSURE: 2851000 -188.56 22.3344 -36.8029 22.3367 -89.5494 88.2187 -36.8046 88.2192 -183.771 GPRESSURE: 2851000 -172.238 79.1605 -12.6942 -42.6181 -29.8756 23.5301 -32.6438 39.9764 -164.095 PRESSAVG: 2851000 0.641996 -26.9309 -17.6316 -26.9307 -9.29693 -1.82141 -17.6314 -1.82132 -18.6107 GPRESSAVG: 2851000 0.738143 -27.308 -15.5777 -27.6431 -9.62129 -0.842602 -18.402 -1.89851 -19.0529 TIMING: 2851000 CPU: 8588.26, 0.00299353/step Wall: 8588.26, 0.00299353/step, 1.78697 hours remaining, 210.167969 MB of memory in use. ENERGY: 2851000 764.1183 2077.7764 1926.2153 116.7455 -206118.3339 17581.8165 0.0000 0.0000 34215.1228 -149436.5391 298.8092 -183651.6619 -149333.6370 298.9591 -153.9603 -122.0694 557976.3788 -9.0885 -9.3120 PRESSURE: 2851200 86.566 -176.996 -11.7943 -176.996 -176.044 114.54 -11.7945 114.541 -87.0658 GPRESSURE: 2851200 86.7845 -259.961 -43.9706 -89.9986 -107.613 112.134 87.3503 99.5532 -60.7018 PRESSAVG: 2851200 -5.45325 -36.4851 29.4068 -36.485 -2.16988 17.2654 29.4067 17.2652 -6.38667 GPRESSAVG: 2851200 -5.64159 -35.2244 26.3492 -35.6835 -1.75849 16.9702 31.0254 17.0878 -6.6672 TIMING: 2851200 CPU: 8588.87, 0.00304516/step Wall: 8588.87, 0.00304516/step, 1.81762 hours remaining, 210.167969 MB of memory in use. ENERGY: 2851200 746.0599 2128.6378 1948.1603 115.7907 -206220.1025 17690.1003 0.0000 0.0000 34009.8991 -149581.4544 297.0169 -183591.3535 -149489.4945 298.3301 -58.8479 -27.1768 557301.8210 -4.6699 -4.6891 PRESSURE: 2851400 344.195 138.05 43.9238 138.05 229.385 -29.871 43.923 -29.8724 -101.963 GPRESSURE: 2851400 415.773 102.758 69.2092 121.963 230.119 -67.3468 28.8459 97.441 -74.778 PRESSAVG: 2851400 -29.5308 -21.6345 7.61424 -21.6345 6.71364 2.24443 7.61433 2.24444 17.8226 GPRESSAVG: 2851400 -30.8459 -21.9155 10.047 -22.7231 7.61992 1.58025 4.54968 3.7195 18.2293 TIMING: 2851400 CPU: 8589.48, 0.00303954/step Wall: 8589.48, 0.00303954/step, 1.8141 hours remaining, 210.167969 MB of memory in use. ENERGY: 2851400 724.8527 2114.0887 1947.1871 117.3628 -206475.4613 18071.4000 0.0000 0.0000 34139.6649 -149360.9051 298.1502 -183500.5701 -149267.6905 298.6927 157.2057 190.3714 556065.1410 -1.6648 -1.6655 PRESSURE: 2851600 -289.387 175.097 -73.4928 175.096 139.735 -153.985 -73.4931 -153.985 -299.955 GPRESSURE: 2851600 -244.696 189.027 -141.881 180.081 116.816 -130.871 -127.517 -169.56 -227.625 PRESSAVG: 2851600 6.15741 16.0459 -28.0317 16.0458 -4.85006 -6.65799 -28.0317 -6.65797 14.1822 GPRESSAVG: 2851600 8.60859 16.6507 -28.5627 15.9086 -6.59988 -4.26439 -28.9257 -9.46906 13.2868 TIMING: 2851600 CPU: 8590.09, 0.00304573/step Wall: 8590.09, 0.00304573/step, 1.81762 hours remaining, 210.167969 MB of memory in use. ENERGY: 2851600 730.9899 2105.7759 1946.9605 119.8120 -205672.4059 17458.1644 0.0000 0.0000 34070.8355 -149239.8678 297.5491 -183310.7033 -149150.7885 299.2695 -149.8694 -118.5019 557110.3007 5.1632 5.0985 PRESSURE: 2851800 69.1012 21.2104 35.1863 21.2098 -165.867 292.665 35.1851 292.665 -56.8616 GPRESSURE: 2851800 36.0045 24.9578 59.8893 -73.6873 -132.19 293.515 -17.65 251.973 43.8439 PRESSAVG: 2851800 -17.965 62.6303 -40.9081 62.6303 65.6071 14.1178 -40.9081 14.1177 22.9748 GPRESSAVG: 2851800 -19.0008 63.2689 -41.2239 60.8904 65.9905 11.975 -37.3722 15.8543 23.7568 TIMING: 2851800 CPU: 8590.69, 0.00300919/step Wall: 8590.69, 0.00300919/step, 1.79565 hours remaining, 210.167969 MB of memory in use. ENERGY: 2851800 773.1659 2106.7445 1918.0222 113.4546 -205862.6198 17580.7900 0.0000 0.0000 34226.8832 -149143.5594 298.9119 -183370.4426 -149041.4030 299.6110 -51.2093 -17.4473 556821.6764 23.5390 23.5821 PRESSURE: 2852000 -37.0884 109.573 73.9938 109.572 -27.5055 127.486 73.995 127.485 -79.688 GPRESSURE: 2852000 -63.3893 132.022 32.7064 162.995 39.3756 -17.2487 160.53 193.378 -22.4522 PRESSAVG: 2852000 -41.437 -30.0358 69.9178 -30.0357 42.6847 41.1484 69.9178 41.1483 -44.3048 GPRESSAVG: 2852000 -40.5123 -30.2763 70.5567 -26.0106 42.5066 40.0381 68.7168 43.2287 -44.7522 TIMING: 2852000 CPU: 8591.29, 0.00300308/step Wall: 8591.29, 0.00300308/step, 1.79184 hours remaining, 210.167969 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: 2852000 728.3343 2100.2296 1927.4031 117.5708 -205900.7043 17683.0634 0.0000 0.0000 34308.0989 -149036.0042 299.6212 -183344.1031 -148939.5124 300.0779 -48.0940 -15.4886 558317.1091 -14.3524 -14.2526 PRESSURE: 2852200 -361.107 97.5651 -50.546 97.5638 23.1548 228.514 -50.5448 228.514 -282.517 GPRESSURE: 2852200 -323.698 85.369 -19.0388 109.486 4.91922 195.767 -37.7072 254.582 -199.72 PRESSAVG: 2852200 -31.4766 35.5553 6.86549 35.5553 -7.98111 -1.55674 6.8655 -1.55679 35.7067 GPRESSAVG: 2852200 -32.9043 34.103 5.00259 33.6076 -7.61868 0.951658 8.47528 -3.70736 36.9268 TIMING: 2852200 CPU: 8591.89, 0.00299175/step Wall: 8591.89, 0.00299175/step, 1.78491 hours remaining, 210.167969 MB of memory in use. ENERGY: 2852200 787.4688 2166.7750 1933.5061 109.2489 -205829.8897 17466.6710 0.0000 0.0000 34231.0927 -149135.1272 298.9486 -183366.2199 -149047.2475 299.9479 -206.8229 -172.8329 557098.3377 -1.2503 -1.1987 LDB: ============= START OF LOAD BALANCING ============== 8595.4 LDB: ============== END OF LOAD BALANCING =============== 8595.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8595.41 LDB: ============= START OF LOAD BALANCING ============== 8595.7 LDB: Largest compute 4772 load 0.028221 is 23.9% of average load 0.118104 LDB: Average compute 0.001728 is 1.5% of average load 0.118104 LDB: TIME 8595.7 LOAD: AVG 0.118104 MAX 0.205442 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.969 MB LDB: TIME 8595.7 LOAD: AVG 0.118104 MAX 0.205442 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.172 MB LDB: TIME 8595.7 LOAD: AVG 0.118104 MAX 0.205442 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.172 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8595.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8595.71 PRESSURE: 2852400 -407.459 21.0339 -4.48324 21.0341 -65.5641 96.5134 -4.48405 96.514 -51.2992 GPRESSURE: 2852400 -355.271 45.7526 -14.7126 6.59451 -64.1371 74.1236 -22.8251 75.2984 4.97152 PRESSAVG: 2852400 46.8229 -1.15275 -37.6687 -1.15279 -94.4562 31.3201 -37.6688 31.32 42.7237 GPRESSAVG: 2852400 46.772 -0.103204 -36.144 -1.43091 -94.5944 28.9176 -38.8439 33.7751 42.9165 TIMING: 2852400 CPU: 8592.49, 0.00301791/step Wall: 8592.49, 0.00301791/step, 1.80035 hours remaining, 209.382812 MB of memory in use. ENERGY: 2852400 770.8156 2084.9602 1911.7920 110.1078 -205857.5318 17494.8511 0.0000 0.0000 34343.9942 -149141.0111 299.9346 -183485.0053 -149047.7730 300.0557 -174.7740 -138.1456 558162.0380 -1.6365 -1.6353 PRESSURE: 2852600 -163.176 8.70567 -95.1846 8.70642 -53.7231 86.0109 -95.1862 86.0095 -211.116 GPRESSURE: 2852600 -159.467 89.3401 -30.5701 12.7595 2.00386 50.6426 -106.616 63.9993 -178.132 PRESSAVG: 2852600 -31.687 17.3803 -51.9504 17.3804 -59.3623 48.018 -51.9504 48.018 52.0577 GPRESSAVG: 2852600 -31.0761 16.4378 -51.94 18.6754 -58.9456 49.7158 -53.3602 45.4517 50.9859 TIMING: 2852600 CPU: 8593.09, 0.00298144/step Wall: 8593.09, 0.00298144/step, 1.77843 hours remaining, 209.640625 MB of memory in use. ENERGY: 2852600 778.6409 2103.2924 1947.0417 109.4348 -206310.6616 17908.7443 0.0000 0.0000 34261.8310 -149201.6766 299.2171 -183463.5076 -149113.0443 300.1277 -142.6718 -111.8653 559952.9425 -12.9972 -13.0120 PRESSURE: 2852800 -81.541 44.0706 77.9336 44.071 -342.619 4.98866 77.9338 4.98804 -153.359 GPRESSURE: 2852800 -53.4343 -0.687906 -44.625 26.5507 -341.247 -81.3309 130.843 -47.6396 -77.07 PRESSAVG: 2852800 -76.7763 -14.5169 -79.5029 -14.5169 38.36 17.9749 -79.5029 17.9749 1.06868 GPRESSAVG: 2852800 -76.7334 -16.3786 -81.447 -13.6798 37.97 14.7909 -77.6056 18.2943 1.12689 TIMING: 2852800 CPU: 8593.69, 0.00297558/step Wall: 8593.69, 0.00297558/step, 1.77477 hours remaining, 209.640625 MB of memory in use. ENERGY: 2852800 752.2621 2146.7158 1972.1601 111.6188 -205928.2436 17450.9553 0.0000 0.0000 34358.6650 -149135.8665 300.0628 -183494.5315 -149039.5840 299.8736 -192.5063 -157.2504 557863.9275 -12.4492 -12.5455 PRESSURE: 2853000 155.229 81.1223 49.049 81.1214 151.02 67.8197 49.0469 67.8188 -161.109 GPRESSURE: 2853000 148.702 44.6563 100.24 136.828 188.014 58.6832 29.809 77.4838 -81.6256 PRESSAVG: 2853000 21.5734 20.712 3.08689 20.712 12.2356 15.8735 3.08684 15.8735 -44.1623 GPRESSAVG: 2853000 21.2665 20.8652 5.30042 19.5978 12.5728 19.0478 0.29345 16.5398 -44.0815 TIMING: 2853000 CPU: 8594.28, 0.00298886/step Wall: 8594.28, 0.00298886/step, 1.78252 hours remaining, 209.640625 MB of memory in use. ENERGY: 2853000 764.5608 2138.3523 1951.2990 115.9699 -206382.5770 17975.7716 0.0000 0.0000 34220.9445 -149215.6789 298.8600 -183436.6234 -149120.4564 299.3343 48.3800 85.0302 556963.8872 -3.4511 -3.4141 PRESSURE: 2853200 235.068 120.292 102.257 120.291 -419.268 -185.721 102.256 -185.722 114.72 GPRESSURE: 2853200 216.099 97.2042 124.468 172.85 -350.316 -172.737 100.869 -188.703 165.2 PRESSAVG: 2853200 1.43948 -3.55976 81.9697 -3.55986 22.0046 27.5041 81.9697 27.5041 24.8912 GPRESSAVG: 2853200 0.69458 -2.38225 81.2942 -2.98031 22.8937 29.391 84.3181 25.5684 24.8666 TIMING: 2853200 CPU: 8594.88, 0.00297532/step Wall: 8594.88, 0.00297532/step, 1.77428 hours remaining, 209.640625 MB of memory in use. ENERGY: 2853200 751.6788 2146.0462 1942.9947 102.9541 -206242.9859 17689.2703 0.0000 0.0000 34313.0611 -149296.9809 299.6645 -183610.0420 -149202.0253 299.4926 -23.1601 10.3276 557999.6406 16.1118 16.1516 PRESSURE: 2853400 -154.866 -37.8024 144.696 -37.8018 -82.9514 -14.4207 144.695 -14.4235 29.1435 GPRESSURE: 2853400 -80.3259 45.0587 169.376 28.5848 -45.7245 -25.4377 38.0095 -78.4103 5.29995 PRESSAVG: 2853400 -11.3273 -30.2142 61.4384 -30.2142 -34.3385 -4.67246 61.4383 -4.67252 20.5587 GPRESSAVG: 2853400 -10.0436 -28.2454 61.1492 -32.5336 -35.4888 -5.8888 61.5535 -2.92886 20.3428 TIMING: 2853400 CPU: 8595.48, 0.00298972/step Wall: 8595.48, 0.00298972/step, 1.7827 hours remaining, 209.640625 MB of memory in use. ENERGY: 2853400 732.4798 2123.5016 1945.8397 111.7233 -206383.8563 17915.7369 0.0000 0.0000 34280.2427 -149274.3323 299.3779 -183554.5750 -149176.1637 299.3368 -69.5581 -40.2501 557347.8966 -8.3690 -8.3965 PRESSURE: 2853600 -16.6635 -133.406 -52.8545 -133.406 -309.318 -156.533 -52.8543 -156.534 -402.241 GPRESSURE: 2853600 -30.5383 -185.751 -95.5412 -120.448 -226.653 -131.875 -15.0938 -64.0896 -379.796 PRESSAVG: 2853600 43.5373 -1.31619 67.1104 -1.31624 13.3566 32.7996 67.1105 32.7995 -53.8539 GPRESSAVG: 2853600 41.5833 -2.65353 67.7317 -1.13627 12.8279 31.8661 65.9044 31.8212 -51.9327 TIMING: 2853600 CPU: 8596.07, 0.00299171/step Wall: 8596.07, 0.00299171/step, 1.78372 hours remaining, 209.640625 MB of memory in use. ENERGY: 2853600 756.7977 2149.3282 1921.4992 111.2830 -206030.8997 17504.2278 0.0000 0.0000 34514.1117 -149073.6521 301.4203 -183587.7638 -148980.4612 299.2738 -242.7405 -212.3292 556953.6308 1.0134 0.8262 PRESSURE: 2853800 -39.1056 -38.1194 -46.1367 -38.1185 -223.987 -84.67 -46.1371 -84.6707 -412.116 GPRESSURE: 2853800 -23.8355 -57.493 -23.103 46.0788 -167.029 -103.976 -59.8109 -65.7281 -394.258 PRESSAVG: 2853800 20.2041 -19.1397 69.9668 -19.1396 16.2226 26.0879 69.9668 26.0878 -53.2871 GPRESSAVG: 2853800 20.7317 -20.444 67.1529 -18.164 15.9628 26.9573 70.8647 26.7848 -53.8335 TIMING: 2853800 CPU: 8596.68, 0.00302768/step Wall: 8596.68, 0.00302768/step, 1.805 hours remaining, 209.640625 MB of memory in use. ENERGY: 2853800 716.5660 2102.4297 1918.6884 114.1544 -205932.2869 17508.5275 0.0000 0.0000 34437.3660 -149134.5549 300.7501 -183571.9209 -149026.8431 300.1659 -225.0695 -195.0409 558580.7084 -5.6201 -5.7130 PRESSURE: 2854000 -17.0371 37.2774 109.229 37.2782 65.4503 32.6259 109.228 32.6257 -271.056 GPRESSURE: 2854000 25.1601 92.3189 94.0418 27.5387 55.3386 84.8636 82.9493 29.9321 -192.154 PRESSAVG: 2854000 13.8024 -6.89074 45.7228 -6.89068 -22.9421 -4.88546 45.7228 -4.88552 10.5233 GPRESSAVG: 2854000 13.584 -6.51779 48.5154 -6.77053 -22.2824 -6.27433 45.0069 -3.65604 10.3584 TIMING: 2854000 CPU: 8597.28, 0.00300676/step Wall: 8597.28, 0.00300676/step, 1.79236 hours remaining, 209.640625 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: 2854000 762.8584 2106.4626 1916.0057 124.4227 -206258.7501 17776.7318 0.0000 0.0000 34342.4773 -149229.7916 299.9214 -183572.2690 -149127.4151 300.7650 -74.2143 -37.2186 556701.0949 0.4612 0.5533 PRESSURE: 2854200 -200.756 33.5091 -75.5571 33.5072 -201.269 43.409 -75.5564 43.4102 -245.839 GPRESSURE: 2854200 -166.749 -21.1347 -60.2227 3.81578 -172.294 30.4205 -54.5872 5.03699 -216.036 PRESSAVG: 2854200 -14.5942 15.1674 62.1218 15.1674 28.9843 36.1101 62.1217 36.1101 -31.0294 GPRESSAVG: 2854200 -13.7308 15.8215 61.2858 14.1652 28.9505 37.3529 63.4707 36.2157 -31.7341 TIMING: 2854200 CPU: 8597.88, 0.00299931/step Wall: 8597.88, 0.00299931/step, 1.78776 hours remaining, 209.640625 MB of memory in use. ENERGY: 2854200 734.7925 2122.3068 1960.5443 116.9458 -205861.5334 17491.3586 0.0000 0.0000 34134.5377 -149301.0478 298.1054 -183435.5855 -149206.4084 299.4404 -215.9547 -185.0262 557463.2911 -5.5464 -5.5048 PRESSURE: 2854400 -139.787 73.0542 -185.081 73.0535 -220.956 -224.039 -185.081 -224.038 -132.289 GPRESSURE: 2854400 -94.3375 128.266 -246.354 87.6202 -201.905 -231.838 -118.009 -271.914 -110.583 PRESSAVG: 2854400 33.8753 -6.23775 -52.4656 -6.23777 1.55123 49.8475 -52.4657 49.8475 -56.5652 GPRESSAVG: 2854400 34.0713 -5.45081 -52.2885 -4.6846 1.83054 49.6316 -52.5936 49.4338 -56.4374 TIMING: 2854400 CPU: 8598.48, 0.00300631/step Wall: 8598.48, 0.00300631/step, 1.79176 hours remaining, 209.640625 MB of memory in use. ENERGY: 2854400 758.6742 2055.1111 1941.6222 111.5157 -206137.2308 17539.9087 0.0000 0.0000 34420.7516 -149309.6473 300.6050 -183730.3989 -149211.2653 299.0398 -164.3441 -135.6086 557084.4359 -7.0462 -6.8452 PRESSURE: 2854600 65.0875 -199.804 26.8785 -199.804 -101.388 51.8144 26.8776 51.8137 139.026 GPRESSURE: 2854600 124.791 -205.338 -28.1907 -109.657 -65.5555 40.7022 87.7244 77.3597 156.408 PRESSAVG: 2854600 35.8801 2.31371 -82.0886 2.31367 1.507 -11.3045 -82.0886 -11.3045 -16.1479 GPRESSAVG: 2854600 34.2925 2.42318 -82.1168 1.12203 1.48217 -12.4855 -82.5942 -10.8735 -14.2077 TIMING: 2854600 CPU: 8599.08, 0.00299637/step Wall: 8599.08, 0.00299637/step, 1.78567 hours remaining, 209.902344 MB of memory in use. ENERGY: 2854600 744.5537 2080.9828 1928.4456 111.3408 -206081.5724 17819.2880 0.0000 0.0000 34297.4148 -149099.5466 299.5279 -183396.9614 -149005.2615 299.4653 34.2421 71.8810 555891.5027 7.0798 7.1890 PRESSURE: 2854800 -209.123 -74.0433 52.4947 -74.0449 45.7384 -99.586 52.4946 -99.5862 7.91923 GPRESSURE: 2854800 -156.205 -73.6152 82.573 -113.202 69.2819 -79.6761 88.3836 -66.8824 18.5303 PRESSAVG: 2854800 -21.028 10.2048 13.0761 10.2048 -5.89254 -24.4497 13.076 -24.4499 25.9842 GPRESSAVG: 2854800 -19.6527 8.5645 12.7649 10.0768 -5.78553 -25.3317 14.272 -23.8808 24.9301 TIMING: 2854800 CPU: 8599.68, 0.00298357/step Wall: 8599.68, 0.00298357/step, 1.77787 hours remaining, 209.902344 MB of memory in use. ENERGY: 2854800 742.0043 2103.6790 1928.7711 103.1869 -206297.4526 17757.6846 0.0000 0.0000 34372.0617 -149290.0650 300.1798 -183662.1266 -149200.3764 300.2319 -51.8217 -22.7976 557516.0571 -0.3121 -0.1694 PRESSURE: 2855000 -76.9652 175.69 91.7692 175.69 296.504 -192.486 91.7691 -192.486 91.8748 GPRESSURE: 2855000 -13.6334 212.991 155.017 91.9522 319.277 -217.995 -3.11835 -198.407 107.499 PRESSAVG: 2855000 13.8411 65.6119 19.4521 65.6118 0.127348 -41.1931 19.452 -41.1931 -13.2936 GPRESSAVG: 2855000 14.2729 64.5022 21.3926 66.3623 -0.441292 -41.6547 17.7221 -40.6253 -12.9811 TIMING: 2855000 CPU: 8600.28, 0.00300161/step Wall: 8600.28, 0.00300161/step, 1.78846 hours remaining, 209.902344 MB of memory in use. ENERGY: 2855000 714.0464 2119.3239 1915.9820 116.7072 -205895.9452 17709.7609 0.0000 0.0000 34110.4262 -149209.6986 297.8948 -183320.1247 -149110.4957 299.3350 103.8045 137.7142 557071.2459 0.2249 0.2835 PRESSURE: 2855200 -115.927 181.261 -11.9687 181.261 -99.7218 -126.771 -11.969 -126.77 -75.5877 GPRESSURE: 2855200 -57.6045 82.1532 -30.3772 177.548 -70.6006 -105.703 4.88149 -108.504 -73.5648 PRESSAVG: 2855200 30.0345 20.9965 46.2444 20.9964 -34.4629 -5.02606 46.2445 -5.02617 -4.5019 GPRESSAVG: 2855200 29.9852 23.4243 45.2152 20.2174 -34.8238 -2.89938 47.2353 -6.30285 -4.18122 TIMING: 2855200 CPU: 8600.88, 0.00298293/step Wall: 8600.88, 0.00298293/step, 1.77716 hours remaining, 209.914062 MB of memory in use. ENERGY: 2855200 769.6573 2140.9572 1914.7280 121.6403 -206080.5400 17654.0254 0.0000 0.0000 34290.3620 -149189.1699 299.4663 -183479.5319 -149095.2390 299.6856 -97.0789 -67.2566 556935.9131 -2.9768 -3.0066 PRESSURE: 2855400 208.037 -32.5223 -273.847 -32.5228 56.6266 161.112 -273.848 161.112 93.0182 GPRESSURE: 2855400 278.962 -49.8567 -189.41 39.6723 22.987 175.031 -267.906 115.291 149.048 PRESSAVG: 2855400 -8.84187 -3.00372 -14.9933 -3.00372 27.5146 30.0248 -14.9934 30.0247 -30.6808 GPRESSAVG: 2855400 -9.49483 -5.42209 -16.0297 -0.554173 28.6401 27.3836 -14.1588 31.0842 -31.4208 TIMING: 2855400 CPU: 8601.47, 0.00298513/step Wall: 8601.47, 0.00298513/step, 1.77831 hours remaining, 209.914062 MB of memory in use. ENERGY: 2855400 725.6631 2116.5341 1923.8491 117.4548 -205971.8763 17787.6710 0.0000 0.0000 34000.0912 -149300.6130 296.9313 -183300.7043 -149206.7977 299.4508 119.2272 150.3326 556879.4522 -4.0027 -4.0918 PRESSURE: 2855600 358.067 -12.6831 -88.2875 -12.6825 452.618 138.389 -88.2878 138.389 -36.334 GPRESSURE: 2855600 396.488 -105.944 -91.912 49.3023 486.996 145.038 -30.2185 105.76 -8.85243 PRESSAVG: 2855600 -70.0082 28.9654 33.6537 28.9655 84.3578 46.3308 33.6537 46.3308 15.6983 GPRESSAVG: 2855600 -70.5123 30.1865 36.3591 27.1093 85.4179 47.2469 32.806 45.2382 15.1023 TIMING: 2855600 CPU: 8602.07, 0.0029658/step Wall: 8602.07, 0.0029658/step, 1.76663 hours remaining, 209.914062 MB of memory in use. ENERGY: 2855600 733.9662 2109.4032 1955.9228 108.5827 -206386.7873 17894.1063 0.0000 0.0000 34120.4372 -149464.3690 297.9823 -183584.8062 -149363.2098 299.1102 258.1171 291.5440 556261.6759 10.0160 10.0026 PRESSURE: 2855800 153.977 77.2213 84.7092 77.2223 -25.75 -46.5913 84.7104 -46.5915 -140.845 GPRESSURE: 2855800 167.893 32.5314 118.813 69.7505 -9.51927 39.0902 120.947 -76.4513 -78.105 PRESSAVG: 2855800 49.2783 15.7119 7.5323 15.712 -70.4636 -5.44752 7.53226 -5.44742 54.2557 GPRESSAVG: 2855800 49.9587 16.4562 7.42025 15.2622 -72.9575 -5.61499 8.41213 -4.31532 55.7823 TIMING: 2855800 CPU: 8602.66, 0.00298487/step Wall: 8602.66, 0.00298487/step, 1.77782 hours remaining, 209.914062 MB of memory in use. ENERGY: 2855800 763.0845 2091.1699 1927.0130 122.7388 -206322.4519 17812.4707 0.0000 0.0000 34249.8828 -149356.0922 299.1127 -183605.9750 -149263.9018 298.7787 -4.2059 26.7563 557910.4810 11.0235 10.9278 PRESSURE: 2856000 -229.387 87.1888 -35.8591 87.189 -130.086 -5.67474 -35.8591 -5.67578 -28.0014 GPRESSURE: 2856000 -193.995 12.9428 22.2721 88.0059 -80.2285 37.0002 -34.9142 -60.4488 -18.6915 PRESSAVG: 2856000 -18.7404 30.6942 26.5299 30.6942 0.722998 78.6257 26.5298 78.6257 25.5558 GPRESSAVG: 2856000 -19.2057 30.3597 26.1688 31.4355 2.60705 76.5717 26.2526 78.2214 23.8166 TIMING: 2856000 CPU: 8603.26, 0.00297299/step Wall: 8603.26, 0.00297299/step, 1.77058 hours remaining, 209.914062 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: 2856000 765.5353 2077.4475 1943.6859 110.8942 -206033.1680 17672.1161 0.0000 0.0000 34084.7350 -149378.7541 297.6705 -183463.4890 -149288.0432 298.8350 -129.1580 -97.6385 557902.6867 2.5128 2.4060 PRESSURE: 2856200 -264.762 -20.8332 109.241 -20.8326 -286.673 74.7274 109.241 74.7271 -22.2697 GPRESSURE: 2856200 -206.815 -123.466 134.405 -2.15547 -254.82 4.51021 97.9065 82.4114 -20.023 PRESSAVG: 2856200 10.7192 35.5893 84.4113 35.5893 -14.9712 18.8711 84.4113 18.8712 11.5778 GPRESSAVG: 2856200 9.79769 34.6491 82.8252 35.3398 -15.5986 19.4015 83.1522 18.2003 13.1815 TIMING: 2856200 CPU: 8603.86, 0.00300122/step Wall: 8603.86, 0.00300122/step, 1.78722 hours remaining, 209.914062 MB of memory in use. ENERGY: 2856200 777.2439 2052.3574 1933.5375 111.5706 -205840.8160 17519.4782 0.0000 0.0000 34011.5827 -149435.0456 297.0316 -183446.6283 -149340.8485 299.1931 -191.2348 -160.5524 558355.5381 2.4419 2.4602 LDB: ============= START OF LOAD BALANCING ============== 8607.38 LDB: ============== END OF LOAD BALANCING =============== 8607.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8607.38 LDB: ============= START OF LOAD BALANCING ============== 8607.68 LDB: Largest compute 4772 load 0.029775 is 25.2% of average load 0.118036 LDB: Average compute 0.001732 is 1.5% of average load 0.118036 LDB: TIME 8607.68 LOAD: AVG 0.118036 MAX 0.207568 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.875 MB LDB: TIME 8607.68 LOAD: AVG 0.118036 MAX 0.207568 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.945 MB LDB: TIME 8607.68 LOAD: AVG 0.118036 MAX 0.207568 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.945 MB LDB: ============== END OF LOAD BALANCING =============== 8607.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8607.69 PRESSURE: 2856400 -64.9189 -89.8914 -42.7622 -89.8917 -51.6627 -55.7378 -42.7623 -55.7368 142.263 GPRESSURE: 2856400 -120.324 -31.529 -140.195 -131.905 20.4564 -163.389 -43.166 -8.41558 228.889 PRESSAVG: 2856400 -19.318 37.1182 -10.039 37.1181 -27.3005 11.7904 -10.039 11.7904 5.63321 GPRESSAVG: 2856400 -17.8577 39.2575 -9.59332 36.7584 -28.1709 11.8242 -9.44595 11.9274 5.78029 TIMING: 2856400 CPU: 8604.47, 0.00307708/step Wall: 8604.47, 0.00307708/step, 1.83223 hours remaining, 208.687500 MB of memory in use. ENERGY: 2856400 717.3626 2003.3619 1936.8575 118.5260 -206195.7348 17757.4036 0.0000 0.0000 34221.8281 -149440.3952 298.8677 -183662.2233 -149342.7843 298.3149 8.5604 43.0072 557507.9393 -13.6618 -13.4161 PRESSURE: 2856600 -230.529 79.1897 46.5226 79.1897 167.332 -60.0628 46.5215 -60.0636 154.04 GPRESSURE: 2856600 -164.092 19.5927 45.6062 86.2577 178.781 -147.014 53.9982 44.1705 173.914 PRESSAVG: 2856600 22.8435 -17.5659 -3.36705 -17.5657 11.3428 17.443 -3.36706 17.443 -5.0378 GPRESSAVG: 2856600 21.9853 -19.2725 -2.84141 -17.1786 12.3619 19.8996 -3.38292 17.1943 -5.18574 TIMING: 2856600 CPU: 8605.08, 0.00302261/step Wall: 8605.08, 0.00302261/step, 1.79963 hours remaining, 208.890625 MB of memory in use. ENERGY: 2856600 737.0656 2082.0176 1922.7892 109.6552 -206285.1170 17912.7482 0.0000 0.0000 34054.9507 -149465.8905 297.4104 -183520.8413 -149375.1510 298.3604 30.2809 62.8676 556937.7886 9.7162 9.7205 PRESSURE: 2856800 38.015 -86.6172 39.4363 -86.6179 12.4764 -3.01004 39.4359 -3.00929 75.1323 GPRESSURE: 2856800 61.7044 19.6866 42.4959 -141.95 -0.0791586 49.2015 -15.9843 8.49059 152.293 PRESSAVG: 2856800 57.8954 -4.82995 14.449 -4.82992 -62.7648 10.7019 14.449 10.7018 19.3188 GPRESSAVG: 2856800 60.3315 -3.66126 13.1081 -3.49041 -62.7201 8.63964 13.3289 11.9348 17.0794 TIMING: 2856800 CPU: 8605.68, 0.0030003/step Wall: 8605.68, 0.0030003/step, 1.78618 hours remaining, 208.890625 MB of memory in use. ENERGY: 2856800 726.6244 2040.2034 1923.6359 105.9708 -205899.9665 17656.0281 0.0000 0.0000 34171.1232 -149276.3806 298.4249 -183447.5038 -149185.5198 298.0156 41.8746 71.3062 557706.4924 4.8164 4.8969 PRESSURE: 2857000 -295.806 31.046 -86.058 31.0476 3.67998 -23.6917 -86.0584 -23.6917 0.247798 GPRESSURE: 2857000 -236.88 -41.9879 -92.205 70.1377 6.07855 5.55017 -29.2539 -4.47603 38.6021 PRESSAVG: 2857000 -38.1216 -27.9135 -50.46 -27.9135 13.0479 -38.7386 -50.46 -38.7386 62.7949 GPRESSAVG: 2857000 -39.4306 -28.2623 -49.3077 -28.5128 13.1378 -37.3294 -48.8003 -38.9309 64.1749 TIMING: 2857000 CPU: 8606.27, 0.00297694/step Wall: 8606.27, 0.00297694/step, 1.77211 hours remaining, 208.890625 MB of memory in use. ENERGY: 2857000 759.5673 2051.7289 1953.5254 117.5310 -206174.3554 17722.7599 0.0000 0.0000 34373.7752 -149195.4677 300.1947 -183569.2429 -149100.2442 299.3924 -97.2929 -64.0664 558352.9678 12.5737 12.6274 PRESSURE: 2857200 -35.6005 29.8016 45.414 29.8019 -54.758 -261.766 45.4131 -261.767 15.7033 GPRESSURE: 2857200 18.9261 14.6624 10.3082 48.199 -24.1596 -188.565 34.0161 -254.446 24.1117 PRESSAVG: 2857200 -27.7182 7.18242 -17.8048 7.18238 8.4569 7.96919 -17.8048 7.9691 15.5518 GPRESSAVG: 2857200 -27.5082 6.09241 -18.1002 8.11061 7.87982 6.7202 -16.641 10.1836 16.3685 TIMING: 2857200 CPU: 8606.87, 0.00299336/step Wall: 8606.87, 0.00299336/step, 1.78171 hours remaining, 208.890625 MB of memory in use. ENERGY: 2857200 769.6493 2061.3724 1935.2155 124.4586 -205974.4956 17647.7611 0.0000 0.0000 34271.0187 -149165.0201 299.2973 -183436.0387 -149075.4023 299.3956 -24.8851 6.2928 558363.7954 -1.2365 -1.0866 PRESSURE: 2857400 -62.9563 60.0923 40.3238 60.0916 -372.574 134.241 40.3256 134.241 -41.0291 GPRESSURE: 2857400 -11.972 -33.0347 -27.906 148.081 -325.139 96.682 87.2315 162.997 -38.4496 PRESSAVG: 2857400 20.4096 13.9677 46.8435 13.9677 -28.1612 -36.9256 46.8435 -36.9256 -14.807 GPRESSAVG: 2857400 19.6752 12.9443 47.4625 12.3401 -28.3203 -35.9637 43.8391 -39.3711 -14.0537 TIMING: 2857400 CPU: 8607.47, 0.00300237/step Wall: 8607.47, 0.00300237/step, 1.78691 hours remaining, 208.890625 MB of memory in use. ENERGY: 2857400 793.6528 2065.4961 1959.1409 129.0128 -205912.4306 17586.5612 0.0000 0.0000 34183.3512 -149195.2155 298.5317 -183378.5667 -149089.3161 299.4265 -158.8533 -125.1868 557299.4661 -7.5195 -7.5663 PRESSURE: 2857600 43.4313 46.3625 190.959 46.3629 -155.869 -102.366 190.96 -102.367 -41.4396 GPRESSURE: 2857600 67.876 67.8942 151.577 -0.400554 -116.065 -200.345 254.405 -126.656 -16.0109 PRESSAVG: 2857600 56.7896 -1.89942 19.8609 -1.89937 -47.3285 -23.0982 19.8609 -23.0981 -3.99652 GPRESSAVG: 2857600 57.0974 0.381554 19.2201 -1.49828 -46.3975 -23.9336 20.6792 -22.4708 -5.20081 TIMING: 2857600 CPU: 8608.07, 0.00300852/step Wall: 8608.07, 0.00300852/step, 1.79041 hours remaining, 208.890625 MB of memory in use. ENERGY: 2857600 754.2817 2066.2909 1941.7653 113.2492 -206336.4832 17694.5835 0.0000 0.0000 34483.4664 -149282.8461 301.1527 -183766.3125 -149177.9851 299.9698 -51.2924 -21.4001 557450.9683 1.8215 1.8330 PRESSURE: 2857800 35.9407 -36.9934 79.6874 -36.9942 -43.9815 63.1068 79.6859 63.1076 -121.696 GPRESSURE: 2857800 33.1977 -93.1183 79.7052 45.4847 -30.1431 68.512 75.5635 37.1921 -48.2105 PRESSAVG: 2857800 21.8991 29.0695 8.32059 29.0694 -62.3579 5.74184 8.32063 5.74179 13.4577 GPRESSAVG: 2857800 22.5023 27.8482 7.7795 28.7201 -63.2507 4.43586 11.191 5.72863 13.8076 TIMING: 2857800 CPU: 8608.67, 0.00298084/step Wall: 8608.67, 0.00298084/step, 1.77377 hours remaining, 208.890625 MB of memory in use. ENERGY: 2857800 762.7133 2058.7518 1929.7439 104.7927 -206318.1316 17852.2429 0.0000 0.0000 34060.1819 -149549.7051 297.4560 -183609.8870 -149455.6963 298.9609 -43.2455 -15.0519 556101.2643 -9.0004 -8.9803 PRESSURE: 2858000 -101.006 108.402 -165.371 108.401 263.708 218.836 -165.371 218.835 -3.12437 GPRESSURE: 2858000 -73.4736 122.35 -180.269 131.285 313.267 129.927 -147.428 235.911 19.7572 PRESSAVG: 2858000 -60.454 31.0995 -8.18782 31.0996 24.6657 58.4274 -8.18779 58.4273 52.7678 GPRESSAVG: 2858000 -60.8763 31.318 -6.90621 32.5932 24.5389 61.0945 -11.1221 59.15 52.9577 TIMING: 2858000 CPU: 8609.26, 0.00296112/step Wall: 8609.26, 0.00296112/step, 1.76186 hours remaining, 208.890625 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: 2858000 762.5003 2039.2293 1950.0594 101.9253 -206603.0496 17956.1866 0.0000 0.0000 34442.5161 -149350.6327 300.7951 -183793.1488 -149247.6268 299.0857 53.1927 86.5170 556627.0898 5.6598 5.5401 PRESSURE: 2858200 -124.433 67.6001 -286.256 67.6003 138.875 -84.5632 -286.255 -84.5635 137.635 GPRESSURE: 2858200 -112.756 135.874 -293.464 42.4336 194.447 -70.5249 -248.45 -104.527 163.729 PRESSAVG: 2858200 5.21857 -20.2514 -21.3871 -20.2515 -12.0146 30.4455 -21.3871 30.4456 4.31665 GPRESSAVG: 2858200 5.52779 -22.4398 -21.0513 -21.0621 -11.9934 27.7952 -18.8651 30.0117 4.05424 TIMING: 2858200 CPU: 8609.86, 0.00300576/step Wall: 8609.86, 0.00300576/step, 1.78826 hours remaining, 208.890625 MB of memory in use. ENERGY: 2858200 769.4444 2057.9251 1947.1486 123.6279 -206203.4736 17928.2747 0.0000 0.0000 33915.1237 -149461.9293 296.1892 -183377.0529 -149376.2876 299.1480 50.6925 81.8065 556557.0367 -0.8265 -0.8038 PRESSURE: 2858400 -80.718 165.542 123.229 165.542 46.1037 61.0666 123.227 61.0671 123.234 GPRESSURE: 2858400 13.4469 180.272 100.922 154.369 85.1305 3.67765 94.2779 54.6408 88.5019 PRESSAVG: 2858400 100.658 17.7751 -46.2472 17.7751 -60.2791 56.7946 -46.2472 56.7948 5.74321 GPRESSAVG: 2858400 101.011 20.1167 -46.1954 18.34 -59.7911 59.1874 -47.6257 54.3252 5.06678 TIMING: 2858400 CPU: 8610.47, 0.00303716/step Wall: 8610.47, 0.00303716/step, 1.80677 hours remaining, 208.890625 MB of memory in use. ENERGY: 2858400 772.9099 2071.4781 1930.1608 115.5388 -206639.9545 18082.0929 0.0000 0.0000 34243.6794 -149424.0946 299.0586 -183667.7740 -149323.9617 298.7639 29.5398 62.3598 556825.8506 15.3740 15.4288 PRESSURE: 2858600 74.1787 49.0563 119.532 49.0565 43.063 -81.1176 119.532 -81.117 144.29 GPRESSURE: 2858600 137.825 183.049 103.93 4.29747 58.2101 -41.0879 113.712 -140.645 148.8 PRESSAVG: 2858600 16.3876 73.9294 38.3712 73.9295 -23.4283 -27.0981 38.3712 -27.0982 7.11265 GPRESSAVG: 2858600 16.7288 73.403 36.8116 71.9393 -24.1812 -26.9745 39.4174 -24.5337 7.40688 TIMING: 2858600 CPU: 8611.07, 0.0029779/step Wall: 8611.07, 0.0029779/step, 1.77135 hours remaining, 208.890625 MB of memory in use. ENERGY: 2858600 736.1460 2079.7296 1976.0166 115.7813 -206434.2534 17920.4003 0.0000 0.0000 34295.0789 -149311.1006 299.5075 -183606.1795 -149216.5910 298.9381 87.1774 114.9451 555841.4074 0.0240 -0.0152 PRESSURE: 2858800 170.196 -39.3367 168.836 -39.3368 219.447 -110.334 168.836 -110.334 -8.31555 GPRESSURE: 2858800 228.574 -74.0305 193.362 -24.3898 249.511 -145.239 199.214 -119.823 -10.8468 PRESSAVG: 2858800 83.5366 15.8184 46.8013 15.8184 -66.5177 -31.8792 46.8013 -31.8792 14.8215 GPRESSAVG: 2858800 82.0711 14.6548 46.0772 17.704 -65.0346 -31.7902 45.2142 -32.8292 14.9281 TIMING: 2858800 CPU: 8611.67, 0.00301601/step Wall: 8611.67, 0.00301601/step, 1.79386 hours remaining, 208.890625 MB of memory in use. ENERGY: 2858800 725.8823 2038.2185 1951.3200 111.0938 -206077.2532 17911.8298 0.0000 0.0000 34059.3483 -149279.5606 297.4488 -183338.9089 -149195.1693 299.4782 127.1094 155.7463 556621.1861 10.6135 10.6549 PRESSURE: 2859000 9.94035 147.437 147.725 147.438 87.7444 31.6133 147.726 31.6131 -142.178 GPRESSURE: 2859000 25.8895 125.652 167.698 105.204 118.193 78.4055 166.948 4.42506 -86.1364 PRESSAVG: 2859000 2.08093 -42.9142 45.5172 -42.9142 -24.9145 7.99286 45.5171 7.993 14.8386 GPRESSAVG: 2859000 2.2512 -41.9666 46.951 -43.0891 -24.7553 6.51245 46.049 10.2266 14.1614 TIMING: 2859000 CPU: 8612.27, 0.0030044/step Wall: 8612.27, 0.0030044/step, 1.78679 hours remaining, 208.890625 MB of memory in use. ENERGY: 2859000 750.1165 2067.0215 1944.6287 114.5713 -205884.6602 17804.6753 0.0000 0.0000 34173.3898 -149030.2570 298.4447 -183203.6468 -148937.1205 299.6158 -14.8311 19.3154 556915.0977 -2.6650 -2.7809 PRESSURE: 2859200 175.683 -34.0478 -125.921 -34.0483 334.778 -113.198 -125.921 -113.197 -38.6546 GPRESSURE: 2859200 229.969 11.7607 -62.1143 -16.6526 334.22 -167.3 -107.159 -71.1306 3.23872 PRESSAVG: 2859200 -0.181322 -27.7942 -36.4817 -27.7942 -7.58477 -12.3599 -36.4818 -12.3598 -15.3458 GPRESSAVG: 2859200 0.504934 -26.8944 -37.3336 -30.7507 -9.14001 -10.6864 -36.5123 -14.2634 -15.0283 TIMING: 2859200 CPU: 8612.87, 0.00298673/step Wall: 8612.87, 0.00298673/step, 1.77611 hours remaining, 208.890625 MB of memory in use. ENERGY: 2859200 704.9185 2055.4850 1938.3527 115.1624 -206378.0169 18094.5843 0.0000 0.0000 34427.9370 -149041.5770 300.6677 -183469.5140 -148944.1715 299.8274 157.2688 189.1426 557664.0799 -7.7040 -7.8878 PRESSURE: 2859400 261.671 188.618 10.3576 188.618 -263.791 7.49941 10.3568 7.49831 126.657 GPRESSURE: 2859400 288.226 211.112 -19.9891 153.623 -209.852 107.41 62.2875 -7.98336 129.773 PRESSAVG: 2859400 31.0809 17.0485 -38.7462 17.0484 -17.6804 13.4795 -38.7461 13.4796 -8.0505 GPRESSAVG: 2859400 30.3524 16.9929 -39.752 20.6571 -17.4188 12.6412 -37.4351 14.3806 -7.43537 TIMING: 2859400 CPU: 8613.46, 0.00297816/step Wall: 8613.46, 0.00297816/step, 1.77085 hours remaining, 208.890625 MB of memory in use. ENERGY: 2859400 750.3045 2087.3398 1923.6021 105.7047 -205960.0957 17843.4830 0.0000 0.0000 34289.9412 -148959.7202 299.4626 -183249.6614 -148865.2487 299.3048 41.5124 69.3823 557837.9288 1.7833 1.8327 PRESSURE: 2859600 169.844 67.41 83.0461 67.4094 63.2902 105.26 83.0435 105.258 -240.101 GPRESSURE: 2859600 227.636 130.944 27.901 97.2705 107.161 128.039 70.0567 130.099 -259.006 PRESSAVG: 2859600 -35.1938 -38.7605 -24.0791 -38.7604 36.6476 8.24533 -24.0791 8.24535 25.855 GPRESSAVG: 2859600 -34.2719 -39.143 -21.895 -40.766 36.3288 7.58241 -25.3309 9.14591 25.4841 TIMING: 2859600 CPU: 8614.06, 0.0029931/step Wall: 8614.06, 0.0029931/step, 1.77956 hours remaining, 208.890625 MB of memory in use. ENERGY: 2859600 741.3728 2106.8922 1958.8593 121.8011 -205897.1638 17768.1227 0.0000 0.0000 34397.1044 -148803.0113 300.3985 -183200.1157 -148700.0128 300.4106 -2.3223 25.2637 559252.1697 9.1029 9.1803 PRESSURE: 2859800 -40.2155 -13.8808 234.148 -13.8807 -197.302 149.823 234.147 149.824 -43.5348 GPRESSURE: 2859800 -30.1153 60.2702 226.999 -50.1208 -147.716 133.896 280.478 86.9009 -7.58953 PRESSAVG: 2859800 -2.99953 29.2132 -36.9872 29.2132 -11.8265 46.5013 -36.9872 46.5015 -12.1627 GPRESSAVG: 2859800 -2.63145 29.514 -37.2617 29.2895 -11.1238 47.1614 -36.8405 44.4703 -13.6781 TIMING: 2859800 CPU: 8614.66, 0.00299629/step Wall: 8614.66, 0.00299629/step, 1.78129 hours remaining, 208.890625 MB of memory in use. ENERGY: 2859800 721.2974 2045.1829 1931.6694 124.7378 -205953.6112 17753.8237 0.0000 0.0000 34459.8343 -148917.0657 300.9463 -183376.9000 -148813.8367 300.2458 -93.6842 -61.8070 558115.1007 -8.9962 -9.1444 PRESSURE: 2860000 77.8254 -84.992 33.5854 -84.9923 -156.632 131.749 33.5856 131.749 -103.887 GPRESSURE: 2860000 116.634 -66.7065 104.486 -59.797 -136.407 109.864 21.4992 204.814 -72.8933 PRESSAVG: 2860000 28.7467 -30.4282 -12.1932 -30.4282 -11.1644 44.1251 -12.1931 44.1251 -49.3623 GPRESSAVG: 2860000 25.5427 -30.7113 -14.4052 -28.6014 -10.7551 43.8227 -10.6291 44.7638 -46.8894 TIMING: 2860000 CPU: 8615.27, 0.00303525/step Wall: 8615.27, 0.00303525/step, 1.80428 hours remaining, 208.890625 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: 2860000 759.9081 2126.1976 1934.5146 113.6684 -206205.1837 17747.7601 0.0000 0.0000 34382.6072 -149140.5277 300.2719 -183523.1349 -149045.7425 299.4211 -60.8977 -30.8888 558759.7681 -10.5933 -10.7006 PRESSURE: 2860200 -138.558 107.13 56.3832 107.131 -105.454 -135.589 56.3834 -135.588 -42.5903 GPRESSURE: 2860200 -63.0727 52.8423 72.3748 52.8895 -89.9572 -180.787 -14.791 -135.077 -28.9987 PRESSAVG: 2860200 25.9603 28.6771 95.9235 28.677 -25.6723 41.3909 95.9236 41.3909 -8.12941 GPRESSAVG: 2860200 27.1058 28.202 97.7222 25.4478 -25.8118 39.208 94.7158 42.6406 -8.96063 TIMING: 2860200 CPU: 8615.87, 0.00300601/step Wall: 8615.87, 0.00300601/step, 1.78674 hours remaining, 208.890625 MB of memory in use. ENERGY: 2860200 732.0458 2130.8349 1910.7542 112.5189 -205816.2307 17510.9319 0.0000 0.0000 34201.3737 -149217.7714 298.6891 -183419.1451 -149120.4768 299.4718 -95.5339 -60.6762 557184.8370 -2.6138 -2.5555 LDB: ============= START OF LOAD BALANCING ============== 8619.38 LDB: ============== END OF LOAD BALANCING =============== 8619.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8619.39 LDB: ============= START OF LOAD BALANCING ============== 8619.68 LDB: Largest compute 4772 load 0.030555 is 25.9% of average load 0.117996 LDB: Average compute 0.001731 is 1.5% of average load 0.117996 LDB: TIME 8619.69 LOAD: AVG 0.117996 MAX 0.206267 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.973 MB LDB: TIME 8619.69 LOAD: AVG 0.117996 MAX 0.206267 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.176 MB LDB: TIME 8619.69 LOAD: AVG 0.117996 MAX 0.206267 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.176 MB LDB: ============== END OF LOAD BALANCING =============== 8619.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8619.69 PRESSURE: 2860400 67.6346 7.91348 122.29 7.91364 165.596 -169.697 122.291 -169.695 172.196 GPRESSURE: 2860400 115.624 67.1059 98.5873 -38.4 168.595 -83.089 155.254 -135.183 229.448 PRESSAVG: 2860400 -1.91855 -5.45352 39.7765 -5.45352 28.3786 25.305 39.7765 25.3051 9.45257 GPRESSAVG: 2860400 -2.42991 -4.45326 39.2343 -3.62909 29.327 27.4197 40.5885 24.8705 8.58539 TIMING: 2860400 CPU: 8616.48, 0.00303694/step Wall: 8616.48, 0.00303694/step, 1.80495 hours remaining, 209.902344 MB of memory in use. ENERGY: 2860400 783.2971 2094.3983 1951.7941 121.3585 -206507.6942 18005.5500 0.0000 0.0000 34335.2598 -149216.0363 299.8584 -183551.2961 -149122.4643 299.3409 135.1420 171.2223 556312.0102 11.9709 11.8275 PRESSURE: 2860600 140.652 143.871 -8.83974 143.871 97.8911 3.23143 -8.83978 3.23023 -101.081 GPRESSURE: 2860600 132.291 245.648 34.8853 152.138 196.968 -14.8831 1.55311 40.4653 -92.2781 PRESSAVG: 2860600 25.2392 25.8063 -77.7202 25.8063 58.8815 15.485 -77.7201 15.485 -25.2318 GPRESSAVG: 2860600 25.4784 26.6696 -76.6702 24.0016 58.7813 17.1077 -78.1156 14.5209 -25.1345 TIMING: 2860600 CPU: 8617.08, 0.00299081/step Wall: 8617.08, 0.00299081/step, 1.77737 hours remaining, 210.105469 MB of memory in use. ENERGY: 2860600 738.4317 2083.5022 1960.3250 114.1278 -206028.5162 17807.7222 0.0000 0.0000 34161.2946 -149163.1126 298.3391 -183324.4072 -149064.5296 299.5029 45.8206 78.9938 556949.6882 19.6296 19.7084 PRESSURE: 2860800 81.2113 46.9121 -57.2266 46.9107 59.8316 133.571 -57.2247 133.573 -295.502 GPRESSURE: 2860800 135.459 36.0266 -27.5534 120.62 67.0735 160.478 -89.9182 162.488 -260.635 PRESSAVG: 2860800 2.4773 -1.68376 -10.2068 -1.68376 3.48429 37.2442 -10.2069 37.2443 25.5189 GPRESSAVG: 2860800 3.50849 -0.521859 -12.1402 -1.45228 2.37775 33.3588 -9.79692 38.7022 25.7115 TIMING: 2860800 CPU: 8617.68, 0.00300353/step Wall: 8617.68, 0.00300353/step, 1.78476 hours remaining, 210.105469 MB of memory in use. ENERGY: 2860800 724.7283 2154.2200 1900.8868 111.2165 -206235.4108 17835.1941 0.0000 0.0000 34443.2485 -149065.9165 300.8015 -183509.1650 -148972.5885 299.6502 -51.4863 -19.3676 557234.4977 10.4935 10.5326 PRESSURE: 2861000 -43.8479 -96.6403 90.0924 -96.64 -36.2127 20.3595 90.0917 20.3586 -51.8398 GPRESSURE: 2861000 40.109 -124.541 97.291 -73.8676 -99.2121 -9.02109 63.8102 -5.0948 26.055 PRESSAVG: 2861000 -1.98497 16.52 -28.2883 16.52 38.9265 1.75611 -28.2883 1.75608 -44.0117 GPRESSAVG: 2861000 -2.82125 15.1191 -27.0517 17.0747 38.6558 4.40141 -28.1086 1.4828 -43.2804 TIMING: 2861000 CPU: 8618.28, 0.0030042/step Wall: 8618.28, 0.0030042/step, 1.785 hours remaining, 210.105469 MB of memory in use. ENERGY: 2861000 738.8967 2097.4756 1912.2579 111.3185 -205886.8868 17760.0429 0.0000 0.0000 34371.8642 -148895.0310 300.1780 -183266.8952 -148794.6359 300.5881 -43.9668 -11.0160 558459.3085 -2.3567 -2.4820 PRESSURE: 2861200 -192.204 -82.1386 -0.710407 -82.1386 219.543 226.958 -0.710338 226.956 75.7045 GPRESSURE: 2861200 -141.478 -201.522 -19.3736 23.2802 245.108 199.364 -26.8953 235.191 100.72 PRESSAVG: 2861200 9.32565 -40.4927 4.10899 -40.4926 -23.5136 29.3518 4.109 29.3516 59.5973 GPRESSAVG: 2861200 9.95474 -41.4463 4.04603 -39.3656 -23.4018 27.0426 3.1544 29.4993 59.0786 TIMING: 2861200 CPU: 8618.88, 0.00301843/step Wall: 8618.88, 0.00301843/step, 1.79328 hours remaining, 210.105469 MB of memory in use. ENERGY: 2861200 734.8656 2106.0812 1921.6216 101.5009 -206070.2479 17874.6415 0.0000 0.0000 34288.0418 -149043.4952 299.4460 -183331.5370 -148942.6902 299.8187 34.3477 68.1169 557331.9943 15.1365 15.2105 PRESSURE: 2861400 -76.8009 -169.757 92.6377 -169.755 -178.231 -47.0376 92.638 -47.0376 27.6182 GPRESSURE: 2861400 -19.001 -167.993 63.1399 -141.673 -152.789 -9.3692 57.0874 -62.9799 38.4579 PRESSAVG: 2861400 14.3464 -19.7252 -0.766347 -19.7252 -0.80345 -27.7612 -0.766279 -27.7613 -14.238 GPRESSAVG: 2861400 14.0346 -18.1107 -0.851644 -21.8576 -0.271269 -26.7258 -2.11691 -28.74 -14.5124 TIMING: 2861400 CPU: 8619.48, 0.00299058/step Wall: 8619.48, 0.00299058/step, 1.77657 hours remaining, 210.105469 MB of memory in use. ENERGY: 2861400 817.9323 2089.9352 1959.1252 106.4562 -206244.4619 17819.5508 0.0000 0.0000 34535.7387 -148915.7234 301.6092 -183451.4622 -148823.5023 299.8166 -75.8046 -44.4441 556703.9362 -0.2317 -0.2497 PRESSURE: 2861600 27.5291 114.058 14.1469 114.057 -38.5505 10.703 14.1476 10.7036 241.687 GPRESSURE: 2861600 21.9736 45.9403 -1.97953 144.698 9.03904 38.548 24.605 33.7749 288.554 PRESSAVG: 2861600 -43.3297 -6.71836 -4.49302 -6.71832 22.6369 -26.3149 -4.49313 -26.3149 46.6849 GPRESSAVG: 2861600 -44.1158 -5.87594 -5.17373 -6.62851 23.0813 -24.7635 -3.26137 -26.2737 47.2909 TIMING: 2861600 CPU: 8620.07, 0.0029791/step Wall: 8620.07, 0.0029791/step, 1.76958 hours remaining, 210.230469 MB of memory in use. ENERGY: 2861600 758.7247 2089.4926 1948.2212 114.9722 -206080.0744 17808.1970 0.0000 0.0000 34393.7954 -148966.6713 300.3696 -183360.4667 -148872.7774 301.6507 76.8884 106.5222 556275.3746 8.6640 8.7521 PRESSURE: 2861800 233.01 -27.7589 80.9373 -27.7598 190.587 -295.367 80.9396 -295.369 -291.949 GPRESSURE: 2861800 251.321 -28.0088 -35.0473 73.5633 202.302 -340.514 107.277 -285.35 -222.124 PRESSAVG: 2861800 17.3665 19.2154 44.4182 19.2154 -40.3401 -35.8262 44.4183 -35.8261 43.4106 GPRESSAVG: 2861800 18.7304 18.2997 45.9096 20.3329 -41.6874 -36.7945 43.3362 -35.5309 43.4866 TIMING: 2861800 CPU: 8620.67, 0.00298075/step Wall: 8620.67, 0.00298075/step, 1.7704 hours remaining, 210.230469 MB of memory in use. ENERGY: 2861800 762.5951 2136.7384 1952.8479 109.7877 -206524.7529 17935.8023 0.0000 0.0000 34567.4186 -149059.5630 301.8859 -183626.9816 -148971.4692 300.5939 43.8826 77.1664 555742.1143 6.8123 6.8432 PRESSURE: 2862000 -214.633 -105.896 -69.7743 -105.895 -169.933 194.025 -69.7748 194.024 -180.275 GPRESSURE: 2862000 -163.044 -131.452 -23.1087 -45.6928 -187.214 200.718 -36.9471 127.686 -120.581 PRESSAVG: 2862000 17.6663 -18.0502 -27.4692 -18.0501 -2.00551 24.7702 -27.4691 24.7702 29.9055 GPRESSAVG: 2862000 17.7719 -17.5336 -28.36 -17.8172 -1.50792 23.5781 -26.1741 25.7487 28.705 TIMING: 2862000 CPU: 8621.27, 0.00302035/step Wall: 8621.27, 0.00302035/step, 1.79375 hours remaining, 210.230469 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: 2862000 738.0107 2128.1265 1943.4686 107.0424 -205718.0271 17504.5112 0.0000 0.0000 34272.5183 -149024.3495 299.3104 -183296.8678 -148934.2209 300.8355 -188.2801 -156.9468 558894.1524 15.1888 14.9897 PRESSURE: 2862200 1.86517 -67.2414 -98.0204 -67.239 -74.9871 15.5361 -98.0198 15.535 -110.982 GPRESSURE: 2862200 43.0574 -68.0714 -10.103 -67.2155 -19.6114 -31.3093 -148.96 45.6788 -109.601 PRESSAVG: 2862200 96.3386 -9.25111 -41.8222 -9.2511 -82.6008 55.0013 -41.8222 55.0013 4.80285 GPRESSAVG: 2862200 95.8836 -9.43943 -42.1528 -10.1726 -82.5887 54.3858 -42.4456 55.7648 5.44781 TIMING: 2862200 CPU: 8621.87, 0.00299487/step Wall: 8621.87, 0.00299487/step, 1.77846 hours remaining, 210.230469 MB of memory in use. ENERGY: 2862200 731.5008 2009.4839 1949.0545 113.5065 -205708.1810 17573.8202 0.0000 0.0000 34384.6170 -148946.1981 300.2894 -183330.8151 -148848.2810 300.6992 -61.3679 -28.7184 557760.0628 6.1802 6.2476 PRESSURE: 2862400 -85.6051 -17.3188 -115.659 -17.3182 -278.388 64.3572 -115.659 64.357 -74.3438 GPRESSURE: 2862400 -47.5862 -45.3753 -96.1817 39.5545 -272.153 124.239 -68.3926 -64.5383 -26.3711 PRESSAVG: 2862400 34.0522 -19.8164 -51.5528 -19.8164 -68.1727 -32.9408 -51.5528 -32.9408 16.6082 GPRESSAVG: 2862400 33.7046 -21.2927 -51.5018 -18.2337 -67.4967 -29.7677 -50.5465 -35.2673 16.1291 TIMING: 2862400 CPU: 8622.47, 0.00300127/step Wall: 8622.47, 0.00300127/step, 1.78209 hours remaining, 210.230469 MB of memory in use. ENERGY: 2862400 749.5705 2090.6916 1962.3806 110.4759 -206007.9398 17672.4935 0.0000 0.0000 34273.4685 -149148.8592 299.3187 -183422.3277 -149044.5104 300.3154 -146.1123 -115.3702 559324.1936 -5.8374 -5.8877 PRESSURE: 2862600 -200.471 -32.8409 -56.9996 -32.8414 242.021 36.947 -56.9987 36.9472 -70.2582 GPRESSURE: 2862600 -143.278 -23.9661 -67.0945 -14.2168 261.893 -1.9622 -139.914 -17.4153 -55.3301 PRESSAVG: 2862600 18.9099 -30.8088 -25.9762 -30.8089 13.9298 8.66832 -25.9762 8.6684 -22.1445 GPRESSAVG: 2862600 19.084 -30.2598 -26.0404 -31.95 13.6173 6.50694 -26.7577 11.0319 -21.767 TIMING: 2862600 CPU: 8623.08, 0.00301954/step Wall: 8623.08, 0.00301954/step, 1.79277 hours remaining, 210.296875 MB of memory in use. ENERGY: 2862600 733.1182 2207.5540 1935.7714 117.9956 -206055.3276 17647.8020 0.0000 0.0000 34246.2387 -149166.8477 299.0809 -183413.0864 -149073.6193 300.3462 -9.5692 21.0950 557727.4610 3.5651 3.6448 PRESSURE: 2862800 5.56427 -108.12 -87.0563 -108.121 -43.1219 76.3819 -87.0567 76.383 53.3708 GPRESSURE: 2862800 49.3243 -33.7915 -72.0835 -181.72 24.1102 21.0192 -82.1833 195.602 23.3737 PRESSAVG: 2862800 -16.8193 18.2762 -54.6428 18.2761 18.0448 -6.69946 -54.6428 -6.69953 -29.1568 GPRESSAVG: 2862800 -16.9292 19.3878 -54.259 16.9715 17.8077 -6.43874 -52.5107 -8.13928 -28.8788 TIMING: 2862800 CPU: 8623.69, 0.00303915/step Wall: 8623.69, 0.00303915/step, 1.80424 hours remaining, 210.296875 MB of memory in use. ENERGY: 2862800 718.3351 2138.5322 1948.5965 105.6128 -206254.5463 17757.1859 0.0000 0.0000 34319.9644 -149266.3194 299.7248 -183586.2839 -149172.9412 299.3980 5.2711 32.2694 555775.4335 -9.3104 -9.3335 PRESSURE: 2863000 50.4381 -135.772 -9.28033 -135.772 34.7515 -50.2809 -9.28232 -50.2816 -84.8353 GPRESSURE: 2863000 144.814 -164.891 -15.5396 -113.548 45.9071 -40.4673 -31.6222 -71.6178 -95.5841 PRESSAVG: 2863000 -60.6013 -50.5772 -45.5386 -50.5772 31.5748 0.58661 -45.5387 0.586573 48.6922 GPRESSAVG: 2863000 -60.5856 -51.7272 -46.8451 -49.4945 31.8314 -0.0731981 -47.5723 1.5132 48.7809 TIMING: 2863000 CPU: 8624.29, 0.00301011/step Wall: 8624.29, 0.00301011/step, 1.78683 hours remaining, 210.296875 MB of memory in use. ENERGY: 2863000 761.5081 2105.7899 1956.0467 118.2217 -206183.7694 17783.5718 0.0000 0.0000 34240.4782 -149218.1528 299.0306 -183458.6311 -149121.5385 299.5837 0.1181 31.7125 556400.3817 6.5552 6.6756 PRESSURE: 2863200 87.3325 14.6193 26.9562 14.6209 -88.9353 -7.15886 26.9564 -7.1589 -138.775 GPRESSURE: 2863200 137.597 89.8823 -15.7618 6.3762 -78.8318 24.4514 -38.7116 0.248392 -93.8435 PRESSAVG: 2863200 11.5974 -43.3001 -1.12265 -43.3002 44.3068 -15.1543 -1.12259 -15.1543 -46.291 GPRESSAVG: 2863200 12.9575 -43.27 -0.0610054 -40.7852 44.3798 -15.3337 -1.24048 -16.4693 -47.1117 TIMING: 2863200 CPU: 8624.89, 0.0029936/step Wall: 8624.89, 0.0029936/step, 1.77687 hours remaining, 210.296875 MB of memory in use. ENERGY: 2863200 752.5092 2073.0208 1992.2591 125.7991 -206271.3145 17878.8215 0.0000 0.0000 34161.1484 -149287.7562 298.3378 -183448.9046 -149197.7093 299.5329 -46.7927 -11.6929 557559.6494 3.2044 3.4085 PRESSURE: 2863400 -238.371 -26.624 -101.348 -26.6256 -178.53 88.6958 -101.348 88.6963 147.233 GPRESSURE: 2863400 -238.31 -44.719 -1.16046 41.6706 -138.401 63.215 -69.7976 191.1 204.054 PRESSAVG: 2863400 27.3951 -6.39667 -32.8868 -6.39666 -11.0961 -14.9897 -32.8867 -14.9897 -4.03759 GPRESSAVG: 2863400 27.6121 -5.70126 -33.2906 -7.78901 -12.4673 -14.9567 -31.8273 -13.9005 -3.59072 TIMING: 2863400 CPU: 8625.48, 0.00299029/step Wall: 8625.48, 0.00299029/step, 1.77474 hours remaining, 210.296875 MB of memory in use. ENERGY: 2863400 719.0942 2090.7999 1930.1489 113.1929 -206023.7975 17775.0620 0.0000 0.0000 34277.4030 -149118.0965 299.3531 -183395.4996 -149018.0790 299.4056 -89.8893 -57.5522 558685.4227 4.0872 3.8513 PRESSURE: 2863600 62.0394 199.094 127.509 199.096 133.504 14.0842 127.509 14.0844 -202.977 GPRESSURE: 2863600 39.1414 150.826 60.6336 193.883 170.461 -44.2466 125.894 -1.70861 -124.864 PRESSAVG: 2863600 43.3479 20.4277 -21.44 20.4277 -63.361 -2.83594 -21.44 -2.83596 -4.90688 GPRESSAVG: 2863600 42.4556 20.1107 -21.2378 19.1028 -62.432 -2.51508 -22.794 -4.35721 -4.60077 TIMING: 2863600 CPU: 8626.08, 0.00299232/step Wall: 8626.08, 0.00299232/step, 1.77578 hours remaining, 210.296875 MB of memory in use. ENERGY: 2863600 745.1962 2071.2857 1951.8157 106.8529 -206185.1891 17846.5840 0.0000 0.0000 34482.9111 -148980.5434 301.1478 -183463.4545 -148878.1085 300.1373 -2.4778 28.2460 557797.5903 -8.3067 -8.1924 PRESSURE: 2863800 -25.1706 75.2657 171.873 75.2661 145.164 118.903 171.874 118.904 -105.119 GPRESSURE: 2863800 72.2862 -31.9931 143.306 143.794 167.197 82.5855 216.979 44.3977 -131.309 PRESSAVG: 2863800 27.2628 21.0944 33.3192 21.0944 -36.0439 3.32896 33.3192 3.32906 33.729 GPRESSAVG: 2863800 28.042 19.8131 33.7281 24.0014 -37.3431 2.84341 32.2575 2.95397 34.6334 TIMING: 2863800 CPU: 8626.68, 0.00300911/step Wall: 8626.68, 0.00300912/step, 1.78558 hours remaining, 210.296875 MB of memory in use. ENERGY: 2863800 713.3082 2064.0057 1941.5991 113.3852 -206187.5415 17757.4971 0.0000 0.0000 34404.8344 -149192.9118 300.4660 -183597.7462 -149092.8618 300.5587 4.9580 36.0581 556765.8956 8.3160 8.4441 PRESSURE: 2864000 83.4226 -25.3581 -127.377 -25.3581 -39.7607 -12.0252 -127.377 -12.0258 -164.439 GPRESSURE: 2864000 64.7394 11.3155 -156.03 5.99378 15.3767 -6.28281 9.5996 -56.7897 -80.5408 PRESSAVG: 2864000 101.216 -50.7541 27.5542 -50.754 -102.234 -24.86 27.5541 -24.86 1.26702 GPRESSAVG: 2864000 100.611 -49.9817 29.2687 -53.1741 -100.236 -25.7071 29.2299 -21.673 0.21217 TIMING: 2864000 CPU: 8627.29, 0.00302296/step Wall: 8627.29, 0.00302296/step, 1.79362 hours remaining, 210.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2864000 775.9469 2068.1309 1929.1805 116.0191 -206427.1036 18097.9018 0.0000 0.0000 34302.4975 -149137.4268 299.5722 -183439.9243 -149042.0614 299.6579 -40.2590 -0.1416 558724.7104 0.0832 0.1959 PRESSURE: 2864200 37.775 -95.5592 -14.8473 -95.5606 82.7123 25.8803 -14.8488 25.8797 115.996 GPRESSURE: 2864200 38.9934 -135.159 -73.2976 -97.4665 76.7525 38.3371 -51.2499 23.9863 210.011 PRESSAVG: 2864200 60.6456 -12.5182 -15.4467 -12.5182 -15.9836 18.5643 -15.4468 18.5644 -49.23 GPRESSAVG: 2864200 60.9035 -12.3043 -18.5035 -13.7746 -16.1088 20.3215 -15.9844 14.6949 -49.3672 TIMING: 2864200 CPU: 8627.89, 0.0029907/step Wall: 8627.89, 0.0029907/step, 1.77431 hours remaining, 210.296875 MB of memory in use. ENERGY: 2864200 762.9797 2116.4260 1937.6613 113.4866 -206344.2021 18081.4916 0.0000 0.0000 34186.7299 -149145.4270 298.5612 -183332.1569 -149053.7034 299.5394 78.8277 108.5858 558196.9990 -1.5227 -1.5242 LDB: ============= START OF LOAD BALANCING ============== 8631.41 LDB: ============== END OF LOAD BALANCING =============== 8631.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8631.41 LDB: ============= START OF LOAD BALANCING ============== 8631.71 LDB: Largest compute 4772 load 0.029925 is 25.3% of average load 0.118059 LDB: Average compute 0.001726 is 1.5% of average load 0.118059 LDB: TIME 8631.71 LOAD: AVG 0.118059 MAX 0.207801 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.488 MB LDB: TIME 8631.71 LOAD: AVG 0.118059 MAX 0.207801 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.488 MB LDB: TIME 8631.71 LOAD: AVG 0.118059 MAX 0.207801 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.488 MB LDB: ============== END OF LOAD BALANCING =============== 8631.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8631.72 PRESSURE: 2864400 271.307 5.82119 29.0432 5.8211 10.3993 31.9608 29.0434 31.9605 -90.2174 GPRESSURE: 2864400 346.928 -13.6211 -1.661 8.77877 25.1458 -20.9004 35.0609 37.909 -88.3008 PRESSAVG: 2864400 -7.18622 24.1743 24.0246 24.1742 -23.2562 16.0729 24.0246 16.0729 46.5625 GPRESSAVG: 2864400 -8.3255 24.9878 24.5275 25.4865 -22.845 15.35 22.6339 18.1372 47.3281 TIMING: 2864400 CPU: 8628.5, 0.00307985/step Wall: 8628.5, 0.00307985/step, 1.82703 hours remaining, 208.996094 MB of memory in use. ENERGY: 2864400 761.5194 2109.8790 1928.5459 107.5951 -206825.1914 18169.5532 0.0000 0.0000 34553.0434 -149195.0555 301.7603 -183748.0989 -149096.4749 300.2963 63.8295 94.5910 558070.9126 5.3733 5.3858 PRESSURE: 2864600 -119.99 67.8626 45.9984 67.8633 -406.898 -81.3285 45.9989 -81.3277 -73.574 GPRESSURE: 2864600 -77.5749 47.3476 102.625 -12.864 -337.199 -71.4702 0.186142 -22.5005 -98.9875 PRESSAVG: 2864600 -27.6075 4.05592 0.454106 4.05585 -126.877 38.5602 0.454143 38.5603 102.115 GPRESSAVG: 2864600 -27.6605 1.83363 1.72955 5.09347 -125.906 40.0056 1.88566 38.8447 101.307 TIMING: 2864600 CPU: 8629.1, 0.0030054/step Wall: 8629.1, 0.0030054/step, 1.7827 hours remaining, 209.199219 MB of memory in use. ENERGY: 2864600 717.3146 2144.7227 1918.0148 110.2293 -205867.1593 17624.1420 0.0000 0.0000 34205.8458 -149146.8902 298.7282 -183352.7360 -149055.9739 299.4464 -200.1540 -171.2538 560204.9173 -17.4566 -17.4201 PRESSURE: 2864800 -41.9438 174.536 158.617 174.536 99.8621 52.156 158.617 52.1568 -22.238 GPRESSURE: 2864800 -41.6694 148.97 164.118 88.8246 142.528 60.585 118.46 150.546 39.155 PRESSAVG: 2864800 -64.7486 50.7999 -13.9021 50.7998 -20.3793 14.0683 -13.9021 14.0682 64.0211 GPRESSAVG: 2864800 -64.8554 52.302 -14.1837 49.036 -20.6453 13.3361 -14.6388 12.6833 64.6447 TIMING: 2864800 CPU: 8629.71, 0.00302106/step Wall: 8629.71, 0.00302106/step, 1.79183 hours remaining, 209.199219 MB of memory in use. ENERGY: 2864800 765.5141 2116.6844 1940.3834 105.6411 -206067.0720 17888.6975 0.0000 0.0000 34139.8034 -149110.3481 298.1514 -183250.1515 -149016.7322 299.1137 11.8934 46.6713 559210.4106 -7.0356 -6.9520 PRESSURE: 2865000 0.927049 128.156 -65.5798 128.156 288.038 -3.86142 -65.5812 -3.86258 -50.1265 GPRESSURE: 2865000 1.02064 97.0558 -51.0446 138.115 305.996 32.8953 -62.6418 -11.2678 35.5328 PRESSAVG: 2865000 3.62938 62.3588 12.3061 62.3589 -52.6183 34.8946 12.306 34.8945 34.8476 GPRESSAVG: 2865000 3.74867 61.8623 10.808 63.3905 -53.5381 34.4871 17.0048 37.3876 35.5779 TIMING: 2865000 CPU: 8630.31, 0.0030202/step Wall: 8630.31, 0.0030202/step, 1.79115 hours remaining, 209.199219 MB of memory in use. ENERGY: 2865000 758.0011 2039.5081 1928.9829 111.2292 -206073.1689 17844.9343 0.0000 0.0000 34434.8356 -148955.6776 300.7280 -183390.5132 -148854.5712 299.1674 79.6130 114.1830 557239.0835 -4.7138 -4.7372 PRESSURE: 2865200 -91.4337 -23.339 -52.3847 -23.3381 -50.9456 4.50008 -52.3853 4.49944 143.47 GPRESSURE: 2865200 -50.6517 -22.3984 -60.272 -12.3487 -30.7544 -55.0255 11.3365 54.9693 183.072 PRESSAVG: 2865200 23.8222 36.358 17.7797 36.358 -5.24641 33.6683 17.7797 33.6683 39.7066 GPRESSAVG: 2865200 23.9431 35.1909 21.2708 36.3139 -4.45438 34.8022 11.9666 32.4779 38.7629 TIMING: 2865200 CPU: 8630.91, 0.00299656/step Wall: 8630.91, 0.00299656/step, 1.77696 hours remaining, 209.199219 MB of memory in use. ENERGY: 2865200 748.0495 2035.8782 1932.2215 110.0066 -205827.8773 17753.0714 0.0000 0.0000 34366.2164 -148882.4338 300.1287 -183248.6502 -148786.7668 300.3188 0.3635 33.8886 557937.8364 19.4275 19.4172 PRESSURE: 2865400 -20.8606 -19.8768 -26.7518 -19.876 -139.144 81.4282 -26.753 81.4274 -64.854 GPRESSURE: 2865400 20.9251 -14.6854 85.2437 -122.929 -154.629 53.8778 -125.772 70.4257 1.26079 PRESSAVG: 2865400 35.1408 34.8532 -3.66006 34.8531 -24.3558 -10.1375 -3.66013 -10.1374 16.5952 GPRESSAVG: 2865400 35.8236 37.8607 -4.63239 36.0353 -24.6985 -10.3525 -2.8549 -12.3153 16.2189 TIMING: 2865400 CPU: 8631.52, 0.00302377/step Wall: 8631.52, 0.00302377/step, 1.79293 hours remaining, 209.199219 MB of memory in use. ENERGY: 2865400 754.2742 2059.7159 1957.1468 119.0805 -205638.5125 17637.0833 0.0000 0.0000 34293.5640 -148817.6478 299.4942 -183111.2117 -148724.4631 301.1690 -74.9529 -44.1477 558197.9800 9.1268 9.1147 PRESSURE: 2865600 83.8263 20.9554 119.793 20.9568 24.987 -6.46693 119.792 -6.46548 -172.198 GPRESSURE: 2865600 109.482 4.51074 94.2234 -2.08715 87.4992 22.0668 97.3283 35.1955 -168.142 PRESSAVG: 2865600 27.9639 4.91433 -45.3261 4.91424 18.1702 -51.6035 -45.3262 -51.6035 -35.738 GPRESSAVG: 2865600 26.5674 1.7143 -46.6516 6.01226 18.0893 -50.7259 -45.3666 -51.8794 -34.063 TIMING: 2865600 CPU: 8632.12, 0.00301647/step Wall: 8632.12, 0.00301647/step, 1.78843 hours remaining, 209.199219 MB of memory in use. ENERGY: 2865600 730.8711 2071.3314 1964.2981 114.0446 -205776.2652 17766.9576 0.0000 0.0000 34441.7784 -148686.9840 300.7886 -183128.7623 -148594.5593 301.0976 -21.1283 9.6129 558863.5753 3.4654 3.5312 PRESSURE: 2865800 16.6063 36.251 86.5166 36.252 83.8394 -206.09 86.5168 -206.089 105.57 GPRESSURE: 2865800 96.2858 126.348 76.1817 38.0763 81.1526 -148.09 104.639 -251.107 133.236 PRESSAVG: 2865800 -2.42337 -13.6731 3.1311 -13.6732 -11.3505 -14.8341 3.13107 -14.8342 -28.647 GPRESSAVG: 2865800 -1.34998 -10.9285 2.65613 -15.4827 -11.9686 -15.8194 5.87949 -14.0444 -29.5789 TIMING: 2865800 CPU: 8632.72, 0.00301286/step Wall: 8632.72, 0.00301286/step, 1.78612 hours remaining, 209.199219 MB of memory in use. ENERGY: 2865800 782.4574 2101.7758 1949.4259 111.7591 -205900.7832 17728.2220 0.0000 0.0000 34441.5075 -148785.6355 300.7863 -183227.1430 -148689.7280 300.9585 68.6719 103.5582 557008.2166 -14.1403 -14.2992 PRESSURE: 2866000 34.7521 49.4725 -15.3099 49.4735 211.391 -119.211 -15.3095 -119.209 75.1916 GPRESSURE: 2866000 143.54 94.6404 -30.4316 47.6346 174.868 -109.369 0.260288 -150.673 91.1801 PRESSAVG: 2866000 14.2093 62.7567 -1.06571 62.7569 -6.00884 -106.858 -1.06576 -106.858 20.0779 GPRESSAVG: 2866000 13.76 63.3266 -1.33967 61.6781 -4.75918 -107.479 -1.58276 -105.928 19.3082 TIMING: 2866000 CPU: 8633.33, 0.00301487/step Wall: 8633.33, 0.00301487/step, 1.78715 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: 2866000 729.9596 2060.2182 1977.9014 115.2031 -206114.0122 17955.5055 0.0000 0.0000 34190.7792 -149084.4452 298.5966 -183275.2243 -148986.5742 299.8989 107.1117 136.5296 557432.5961 9.4261 9.4363 PRESSURE: 2866200 -66.9968 107.187 229.905 107.186 -174.031 -44.5232 229.906 -44.5228 -217.793 GPRESSURE: 2866200 -12.1187 131.249 250.762 38.2397 -183.63 -100.101 239.73 -19.0087 -165.753 PRESSAVG: 2866200 5.33081 -1.78165 24.7758 -1.7817 -21.3267 -9.62814 24.7757 -9.62802 6.86622 GPRESSAVG: 2866200 6.52867 -1.44685 24.8468 -0.842548 -22.6393 -9.09441 23.4933 -10.2496 7.58655 TIMING: 2866200 CPU: 8633.92, 0.00299519/step Wall: 8633.92, 0.00299519/step, 1.77531 hours remaining, 209.199219 MB of memory in use. ENERGY: 2866200 740.3639 2124.0660 1936.3511 116.8433 -206374.5153 17724.2944 0.0000 0.0000 34408.9798 -149323.6169 300.5022 -183732.5968 -149230.3536 299.3219 -152.9404 -120.5004 557542.1925 -3.0432 -2.8414 PRESSURE: 2866400 60.3666 -77.4315 20.4782 -77.4306 -47.3983 38.9334 20.4781 38.9326 -156.184 GPRESSURE: 2866400 110.681 -100.765 -51.4347 -51.2337 -49.7231 103.741 122.288 -0.99154 -113.679 PRESSAVG: 2866400 -16.293 4.65054 22.821 4.65052 -29.3507 -16.2762 22.8209 -16.2761 49.4495 GPRESSAVG: 2866400 -18.3715 3.91619 23.8784 3.88548 -28.4964 -16.6384 24.6093 -16.1382 50.466 TIMING: 2866400 CPU: 8634.53, 0.00301723/step Wall: 8634.53, 0.00301723/step, 1.78821 hours remaining, 209.402344 MB of memory in use. ENERGY: 2866400 739.0217 2148.4561 1931.8965 112.0626 -206202.9300 17730.8111 0.0000 0.0000 34188.0927 -149352.5893 298.5731 -183540.6820 -149256.6662 298.7984 -47.7386 -17.5738 557467.2093 1.2686 1.1994 PRESSURE: 2866600 -37.3453 80.2266 -122.491 80.2275 141.857 56.7497 -122.491 56.7486 -0.178766 GPRESSURE: 2866600 -3.91283 148.68 -150.036 117.604 201.05 15.0697 -94.0796 147.272 2.19208 PRESSAVG: 2866600 -25.7096 -6.0094 14.7504 -6.00944 -5.81222 57.307 14.7504 57.3068 -3.27103 GPRESSAVG: 2866600 -25.4388 -8.31648 14.71 -4.35175 -5.15013 60.0289 13.4388 55.7626 -3.72125 TIMING: 2866600 CPU: 8635.13, 0.00300554/step Wall: 8635.13, 0.00300554/step, 1.78111 hours remaining, 209.402344 MB of memory in use. ENERGY: 2866600 757.5882 2128.1586 1941.1030 116.6683 -205962.8141 17746.2995 0.0000 0.0000 34075.0981 -149197.8983 297.5863 -183272.9964 -149099.5575 299.3861 34.7777 66.4432 557150.8471 -11.5976 -11.4367 PRESSURE: 2866800 -144.773 -103.889 65.5173 -103.889 155.653 46.1548 65.5172 46.1545 -3.84803 GPRESSURE: 2866800 -82.5655 -114.774 47.3601 -100.342 168.903 70.6637 60.1568 -4.78462 36.1187 PRESSAVG: 2866800 76.4633 -21.1688 58.3057 -21.1687 -33.6398 25.501 58.3056 25.5011 20.0958 GPRESSAVG: 2866800 78.1907 -19.5427 59.1095 -21.3528 -33.8307 21.8335 58.0284 26.4058 18.5288 TIMING: 2866800 CPU: 8635.72, 0.00297808/step Wall: 8635.72, 0.00297808/step, 1.76468 hours remaining, 209.402344 MB of memory in use. ENERGY: 2866800 736.5032 2100.3846 1951.5469 118.3272 -206127.9861 17720.6357 0.0000 0.0000 34147.5268 -149353.0617 298.2188 -183500.5885 -149254.9097 299.5173 2.3439 40.8187 556601.2841 20.9731 20.9629 PRESSURE: 2867000 150.329 -44.5131 -91.8186 -44.5128 220.472 55.7429 -91.8184 55.7425 -86.3891 GPRESSURE: 2867000 179.18 -78.6143 -52.4559 -10.3185 234.545 80.4793 -75.7606 66.3138 -30.7486 PRESSAVG: 2867000 37.3303 9.69506 19.8094 9.69508 23.6066 -8.31979 19.8094 -8.31974 -38.1864 GPRESSAVG: 2867000 36.9236 8.64813 18.6846 11.3072 23.1079 -7.6331 19.8517 -8.33204 -37.2892 TIMING: 2867000 CPU: 8636.33, 0.00300873/step Wall: 8636.33, 0.00300873/step, 1.78267 hours remaining, 209.402344 MB of memory in use. ENERGY: 2867000 729.5690 2091.5507 1937.3976 119.5271 -206458.3111 18156.5396 0.0000 0.0000 33958.4185 -149465.3086 296.5673 -183423.7271 -149368.1534 299.2814 94.8040 127.6591 557014.0231 7.5835 7.5807 PRESSURE: 2867200 -302.998 -40.0148 -131.478 -40.0133 -277.266 -30.7478 -131.478 -30.748 -122.563 GPRESSURE: 2867200 -230.39 -67.3197 -170.118 -77.5279 -294.067 77.8084 -72.1278 -202.002 -78.3391 PRESSAVG: 2867200 -2.19556 -52.0762 31.6271 -52.0762 33.4455 3.44124 31.6271 3.44133 -11.6075 GPRESSAVG: 2867200 -2.77077 -52.6354 31.0816 -53.8958 34.2678 4.52074 31.429 3.73933 -11.7809 TIMING: 2867200 CPU: 8636.92, 0.00298127/step Wall: 8636.92, 0.00298127/step, 1.76624 hours remaining, 209.402344 MB of memory in use. ENERGY: 2867200 772.5686 2113.9121 1911.9343 122.9788 -206202.9786 17737.1828 0.0000 0.0000 34009.5709 -149534.8311 297.0140 -183544.4020 -149445.6870 298.0963 -234.2757 -200.9317 558201.1369 6.5475 6.5720 PRESSURE: 2867400 -73.5382 -206.147 -90.143 -206.147 -105.937 12.2523 -90.1418 12.2525 -40.3185 GPRESSURE: 2867400 -66.9269 -216.688 93.4527 -193.016 -66.8727 -26.7814 -161.302 -16.3756 12.3996 PRESSAVG: 2867400 -23.9314 -2.71854 78.0689 -2.71845 33.5649 -20.8984 78.0688 -20.8983 -20.4781 GPRESSAVG: 2867400 -24.2737 -1.3805 80.6129 -1.7894 34.1967 -21.3636 78.5597 -22.2232 -20.6714 TIMING: 2867400 CPU: 8637.52, 0.00298399/step Wall: 8637.52, 0.00298399/step, 1.76768 hours remaining, 209.402344 MB of memory in use. ENERGY: 2867400 783.5530 2092.0123 1886.5708 114.7953 -205976.6162 17603.2910 0.0000 0.0000 33735.3510 -149761.0428 294.6192 -183496.3938 -149664.2964 297.9259 -73.2647 -40.4667 557115.9058 -3.6149 -3.5828 PRESSURE: 2867600 44.8567 50.52 -7.51527 50.5188 -5.98022 91.022 -7.51575 91.0235 220.191 GPRESSURE: 2867600 56.4937 -84.8708 -44.0318 160.91 6.97595 66.0355 -21.1781 156.544 302.102 PRESSAVG: 2867600 12.9143 -34.5087 20.3257 -34.5087 1.00535 -40.404 20.3257 -40.404 13.3217 GPRESSAVG: 2867600 12.6706 -32.937 17.4449 -36.0719 1.48842 -39.9138 20.0541 -39.7986 13.5787 TIMING: 2867600 CPU: 8638.12, 0.00298929/step Wall: 8638.12, 0.00298929/step, 1.77066 hours remaining, 209.402344 MB of memory in use. ENERGY: 2867600 772.6840 2097.5698 1937.6926 110.3428 -206765.1750 18030.7182 0.0000 0.0000 34112.5193 -149703.6482 297.9131 -183816.1675 -149608.4020 298.0525 86.3558 121.8574 555569.3710 9.0805 9.2459 PRESSURE: 2867800 75.5164 -177.104 -262.072 -177.104 -133.76 69.7211 -262.072 69.72 -93.1538 GPRESSURE: 2867800 69.6006 -86.2576 -257.38 -189.46 -47.0731 72.7041 -263.395 26.1749 -65.7935 PRESSAVG: 2867800 -23.1797 -20.6972 32.646 -20.6972 40.5481 26.0495 32.646 26.0494 -20.2837 GPRESSAVG: 2867800 -22.6744 -24.2913 35.4494 -19.6446 39.827 25.1537 32.6915 23.692 -20.1808 TIMING: 2867800 CPU: 8638.72, 0.0030178/step Wall: 8638.72, 0.0030178/step, 1.78738 hours remaining, 209.402344 MB of memory in use. ENERGY: 2867800 777.3265 2067.2874 1920.6536 110.0227 -206528.8023 17907.8722 0.0000 0.0000 34064.3927 -149681.2472 297.4928 -183745.6399 -149586.3697 297.7710 -50.4657 -14.4220 557569.0613 -0.9718 -1.0094 PRESSURE: 2868000 32.3679 58.5698 -106.107 58.5703 -7.8077 -18.4476 -106.106 -18.4475 -67.0651 GPRESSURE: 2868000 51.791 29.4549 -56.1534 31.5795 37.194 -5.73225 -11.167 -32.6124 -37.2921 PRESSAVG: 2868000 -42.7513 -43.8789 -66.0619 -43.8789 59.2609 -65.6422 -66.0618 -65.6422 -8.77273 GPRESSAVG: 2868000 -42.1974 -42.2854 -66.6797 -42.8498 60.0067 -65.4965 -64.774 -63.1475 -9.30579 TIMING: 2868000 CPU: 8639.32, 0.00301058/step Wall: 8639.32, 0.00301058/step, 1.78294 hours remaining, 209.402344 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: 2868000 749.9460 2043.3718 1932.9338 121.3968 -206452.5295 17850.0576 0.0000 0.0000 34108.1518 -149646.6717 297.8750 -183754.8236 -149549.8778 298.4696 -14.1683 17.2310 556509.5661 2.5790 2.8345 PRESSURE: 2868200 196.904 -148.067 -13.6456 -148.067 19.2372 -100.085 -13.6457 -100.084 -107.096 GPRESSURE: 2868200 240.695 -176.572 -31.4392 -81.9121 76.7037 -59.1108 60.1627 -144.259 -104.448 PRESSAVG: 2868200 -37.1055 -64.4053 1.41031 -64.4053 45.653 -33.5306 1.41031 -33.5305 -33.4394 GPRESSAVG: 2868200 -37.0367 -65.415 1.56296 -63.1462 44.6193 -32.3734 1.74756 -35.5758 -32.1457 TIMING: 2868200 CPU: 8639.93, 0.00301285/step Wall: 8639.93, 0.00301285/step, 1.78411 hours remaining, 209.402344 MB of memory in use. ENERGY: 2868200 769.3362 2050.6637 1952.6009 105.1710 -206692.8908 18056.8437 0.0000 0.0000 34116.6781 -149641.5973 297.9494 -183758.2753 -149549.7739 298.6086 36.3484 70.9837 555005.7665 -8.2973 -8.1877 LDB: ============= START OF LOAD BALANCING ============== 8643.44 LDB: ============== END OF LOAD BALANCING =============== 8643.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8643.45 LDB: ============= START OF LOAD BALANCING ============== 8643.75 LDB: Largest compute 4772 load 0.030751 is 26.0% of average load 0.118108 LDB: Average compute 0.001736 is 1.5% of average load 0.118108 LDB: TIME 8643.75 LOAD: AVG 0.118108 MAX 0.208574 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.918 MB LDB: TIME 8643.75 LOAD: AVG 0.118108 MAX 0.208574 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.918 MB LDB: TIME 8643.75 LOAD: AVG 0.118108 MAX 0.208574 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.918 MB LDB: ============== END OF LOAD BALANCING =============== 8643.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8643.76 PRESSURE: 2868400 -85.2422 -128.41 105.622 -128.409 3.96122 -64.58 105.624 -64.58 -71.8633 GPRESSURE: 2868400 -82.698 -61.3438 135.911 -167.496 39.7092 -28.5201 65.1669 -30.7342 -16.1506 PRESSAVG: 2868400 18.0275 -60.6083 -47.9837 -60.6083 0.316344 -41.3555 -47.9838 -41.3555 -32.8488 GPRESSAVG: 2868400 16.8604 -59.1212 -51.2467 -61.1785 2.74374 -42.2341 -46.849 -41.5478 -34.2836 TIMING: 2868400 CPU: 8640.54, 0.00306494/step Wall: 8640.54, 0.00306494/step, 1.81478 hours remaining, 209.394531 MB of memory in use. ENERGY: 2868400 743.8599 2082.8476 1940.9219 100.3632 -206333.1923 17703.4643 0.0000 0.0000 34028.5084 -149733.2269 297.1794 -183761.7353 -149636.5484 298.9196 -51.0481 -19.7131 557284.8760 -4.8350 -4.8932 PRESSURE: 2868600 -345.932 174.57 167.263 174.57 70.6889 -250.524 167.262 -250.525 -13.3062 GPRESSURE: 2868600 -336.087 76.1276 170.055 182.497 126.22 -280.02 182.431 -190.534 15.2574 PRESSAVG: 2868600 -14.3667 -1.30333 8.95763 -1.30338 -0.314342 24.047 8.95767 24.047 63.4711 GPRESSAVG: 2868600 -14.0877 -1.87553 10.2391 -3.11976 -1.04903 22.3714 7.34181 24.9018 64.1424 TIMING: 2868600 CPU: 8641.13, 0.0029795/step Wall: 8641.13, 0.0029795/step, 1.76403 hours remaining, 209.539062 MB of memory in use. ENERGY: 2868600 774.0538 2072.4644 1943.0817 117.7501 -206406.0764 17877.5706 0.0000 0.0000 33919.9058 -149701.2500 296.2310 -183621.1558 -149608.6162 298.0870 -96.1832 -64.8699 557798.0473 16.2634 16.3352 PRESSURE: 2868800 5.94731 123.741 43.0079 123.74 6.9193 5.63563 43.0076 5.63323 -106.653 GPRESSURE: 2868800 52.9656 165.781 -6.63094 82.7925 30.3539 -79.0279 51.9191 63.4899 -84.5499 PRESSAVG: 2868800 -43.6886 29.6897 47.5168 29.6896 24.8706 -55.4516 47.5167 -55.4517 22.3544 GPRESSAVG: 2868800 -43.7297 27.9537 46.8106 30.9797 24.5434 -54.8969 48.3993 -54.3167 22.1677 TIMING: 2868800 CPU: 8641.73, 0.00298201/step Wall: 8641.73, 0.00298201/step, 1.76535 hours remaining, 209.539062 MB of memory in use. ENERGY: 2868800 738.5791 2142.0558 1915.8545 103.3477 -206582.5160 17903.0685 0.0000 0.0000 34204.6774 -149574.9329 298.7180 -183779.6103 -149475.6675 297.7423 -31.2620 -0.4101 558580.5037 1.1788 0.9938 PRESSURE: 2869000 -49.5383 45.7174 -105.379 45.7172 -18.5106 178.288 -105.381 178.288 -84.9906 GPRESSURE: 2869000 7.89251 -28.1162 -27.1189 186.997 43.653 195.831 -111.765 185.794 -96.9947 PRESSAVG: 2869000 -25.2101 22.4488 -52.8884 22.4486 56.1913 38.9074 -52.8885 38.9074 -23.4651 GPRESSAVG: 2869000 -24.2223 22.2078 -49.9406 23.0802 55.5515 39.2785 -54.9317 38.035 -24.1002 TIMING: 2869000 CPU: 8642.33, 0.0029852/step Wall: 8642.33, 0.0029852/step, 1.76707 hours remaining, 209.539062 MB of memory in use. ENERGY: 2869000 726.5942 2042.6215 1937.7760 119.1051 -206628.6891 17827.0911 0.0000 0.0000 34419.5567 -149555.9444 300.5945 -183975.5012 -149457.9151 298.0023 -51.0132 -15.1497 557077.5319 2.5054 2.4097 PRESSURE: 2869200 -105.284 74.3154 -167.445 74.3149 -207.74 -148.175 -167.446 -148.175 -161.237 GPRESSURE: 2869200 -55.7797 97.0063 -101.859 11.6594 -204.546 -112.085 -208.968 -198.843 -130.373 PRESSAVG: 2869200 55.849 8.68233 -5.15923 8.6823 9.10835 15.8365 -5.15919 15.8364 0.971618 GPRESSAVG: 2869200 54.8271 10.973 -6.63645 5.66707 8.67361 17.7625 -1.17545 15.7775 2.59169 TIMING: 2869200 CPU: 8642.92, 0.00297416/step Wall: 8642.92, 0.00297416/step, 1.76037 hours remaining, 209.539062 MB of memory in use. ENERGY: 2869200 752.7525 2093.1722 1941.5118 103.1736 -206058.7660 17459.0844 0.0000 0.0000 34251.1707 -149457.9007 299.1240 -183709.0714 -149364.2033 298.8981 -158.0873 -130.2329 556700.6076 21.9763 22.0308 PRESSURE: 2869400 -77.5456 125.089 141.294 125.09 165.325 -56.691 141.294 -56.6907 -148.504 GPRESSURE: 2869400 -64.2774 4.59146 112.746 158.703 172.178 -122.606 145.026 -33.0824 -69.4438 PRESSAVG: 2869400 -61.5811 61.4321 13.2137 61.432 50.856 39.6372 13.2138 39.6371 3.80673 GPRESSAVG: 2869400 -61.4669 59.3836 12.7766 61.2367 51.6266 37.6346 10.6116 40.667 2.90935 TIMING: 2869400 CPU: 8643.52, 0.00296974/step Wall: 8643.52, 0.00296974/step, 1.75759 hours remaining, 209.539062 MB of memory in use. ENERGY: 2869400 734.6250 2043.3178 1925.3722 107.9735 -206043.3150 17644.9851 0.0000 0.0000 34126.3441 -149460.6974 298.0339 -183587.0415 -149362.1824 298.8177 -20.2415 12.8189 556267.2788 -2.3061 -2.3103 PRESSURE: 2869600 7.03218 103.903 -114.226 103.903 65.0846 92.6667 -114.225 92.6683 -100.289 GPRESSURE: 2869600 71.5861 45.2995 -31.5627 215.826 87.0113 108.942 -99.7492 123.193 -86.6267 PRESSAVG: 2869600 -28.8657 30.557 6.04691 30.557 -34.9906 -49.5986 6.04696 -49.5984 50.905 GPRESSAVG: 2869600 -28.9509 30.4254 6.60909 34.2995 -34.1432 -48.127 6.87322 -49.9755 50.8113 TIMING: 2869600 CPU: 8644.11, 0.00296856/step Wall: 8644.11, 0.00296856/step, 1.75673 hours remaining, 209.539062 MB of memory in use. ENERGY: 2869600 741.3470 2116.4061 1947.5852 124.0456 -206195.1243 17787.0171 0.0000 0.0000 34233.7250 -149244.9982 298.9716 -183478.7232 -149145.1854 298.7107 -9.3908 23.9902 557272.6183 -4.3171 -4.0943 PRESSURE: 2869800 -66.9732 162.792 121.815 162.792 -224.223 -157.367 121.814 -157.368 24.9066 GPRESSURE: 2869800 -89.103 112.167 195.074 187.48 -163.882 -130.055 53.8009 -137.027 74.768 PRESSAVG: 2869800 -4.91259 33.6228 41.6241 33.6228 -34.1071 24.3081 41.6242 24.3081 36.5021 GPRESSAVG: 2869800 -4.30857 34.8916 43.2937 32.5034 -35.0013 22.3808 40.36 24.3681 36.9319 TIMING: 2869800 CPU: 8644.71, 0.00299811/step Wall: 8644.71, 0.00299811/step, 1.77405 hours remaining, 209.539062 MB of memory in use. ENERGY: 2869800 740.7594 2136.7815 1940.2420 115.7881 -206099.7047 17689.5683 0.0000 0.0000 34115.5906 -149360.9748 297.9399 -183476.5654 -149264.0539 299.4692 -88.7633 -59.4057 556736.8458 -0.8392 -0.7927 PRESSURE: 2870000 -23.2718 176.751 -163.551 176.75 -128.321 120.522 -163.551 120.521 -85.5013 GPRESSURE: 2870000 -30.4533 188.615 -124.766 171.424 -71.0634 63.9702 -122.466 100.368 -36.0101 PRESSAVG: 2870000 -26.3507 4.53639 73.3891 4.53632 3.43986 -53.9331 73.3891 -53.9331 47.2889 GPRESSAVG: 2870000 -26.5238 4.68374 71.8066 4.38587 4.15289 -53.3692 74.4628 -53.8244 46.7009 TIMING: 2870000 CPU: 8645.31, 0.0029844/step Wall: 8645.31, 0.0029844/step, 1.76577 hours remaining, 209.539062 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: 2870000 739.4337 2139.4947 1944.5102 109.2481 -206383.3609 17891.0538 0.0000 0.0000 34378.3822 -149181.2382 300.2350 -183559.6204 -149076.9955 299.3784 -79.0312 -45.8423 559067.1794 8.1260 8.1100 PRESSURE: 2870200 -223.371 29.4763 40.7777 29.4772 -421.875 -46.4897 40.7777 -46.4899 -27.8112 GPRESSURE: 2870200 -162.054 -4.15645 40.3503 74.3219 -399.332 -56.6952 -46.932 38.1762 -11.2372 PRESSAVG: 2870200 -10.8046 -13.4856 31.3783 -13.4856 -3.10862 7.56486 31.3782 7.56498 -15.094 GPRESSAVG: 2870200 -9.97503 -13.7866 31.2278 -15.0583 -3.00909 7.48541 29.767 7.83781 -15.596 TIMING: 2870200 CPU: 8645.91, 0.00302716/step Wall: 8645.91, 0.00302716/step, 1.7909 hours remaining, 209.539062 MB of memory in use. ENERGY: 2870200 733.0200 2096.2792 1948.5140 105.2496 -205796.9078 17453.6837 0.0000 0.0000 34284.1523 -149176.0090 299.4120 -183460.1614 -149079.3501 299.9953 -224.3527 -190.8745 558963.0371 -9.6691 -9.5267 PRESSURE: 2870400 -85.1205 -230.188 223.783 -230.188 -251.997 137.623 223.783 137.623 -204.963 GPRESSURE: 2870400 -17.0144 -260.363 201.397 -292.813 -242.347 196.571 204.016 31.5566 -184.298 PRESSAVG: 2870400 82.8471 9.12026 71.7464 9.12019 -1.33167 55.6969 71.7463 55.6968 -48.244 GPRESSAVG: 2870400 82.5554 10.3613 71.164 9.33167 -2.11293 58.4005 73.8556 52.8894 -47.1412 TIMING: 2870400 CPU: 8646.51, 0.00300644/step Wall: 8646.51, 0.00300644/step, 1.77847 hours remaining, 209.539062 MB of memory in use. ENERGY: 2870400 740.5597 2109.2272 1927.5627 113.4239 -205811.5824 17424.1182 0.0000 0.0000 34239.2185 -149257.4722 299.0196 -183496.6907 -149162.7960 299.5212 -180.6936 -147.8863 557172.8271 11.0905 11.1004 PRESSURE: 2870600 342.743 -23.4335 60.3335 -23.4343 -136.838 19.0679 60.3328 19.0681 -47.0946 GPRESSURE: 2870600 330.134 -67.9403 13.0102 -18.5724 -91.1789 33.6829 86.9681 13.3405 12.776 PRESSAVG: 2870600 85.1494 -11.2713 -9.21938 -11.2713 -13.9693 29.3799 -9.21941 29.38 -69.5522 GPRESSAVG: 2870600 84.1194 -8.84399 -9.69354 -11.9708 -13.7322 28.6186 -8.97549 30.7715 -69.2113 TIMING: 2870600 CPU: 8647.12, 0.00303997/step Wall: 8647.12, 0.00303997/step, 1.79814 hours remaining, 209.539062 MB of memory in use. ENERGY: 2870600 747.9905 2119.5123 1930.8086 124.4727 -206201.1937 17907.7950 0.0000 0.0000 34175.8430 -149194.7715 298.4661 -183370.6146 -149107.7450 299.7465 52.9366 83.9102 557123.3078 0.5427 0.3920 PRESSURE: 2870800 62.5067 181.587 -151.677 181.587 -101.592 76.5743 -151.678 76.5756 182.34 GPRESSURE: 2870800 104.789 190.303 -172.036 275.303 -91.9824 97.4542 -158.125 8.90078 223.546 PRESSAVG: 2870800 61.1414 -29.7692 -4.92943 -29.7691 30.6004 -1.40266 -4.92936 -1.40258 -39.1232 GPRESSAVG: 2870800 62.4115 -31.853 -3.93593 -26.705 31.0736 -2.25807 -6.52698 -1.15367 -40.7419 TIMING: 2870800 CPU: 8647.73, 0.00302582/step Wall: 8647.73, 0.00302582/step, 1.78961 hours remaining, 209.539062 MB of memory in use. ENERGY: 2870800 738.5609 2140.7333 1968.7195 103.5458 -206165.9808 17735.8382 0.0000 0.0000 34184.1580 -149294.4252 298.5388 -183478.5832 -149195.2512 299.1616 47.7514 78.7839 556692.2221 17.5395 17.5811 PRESSURE: 2871000 -9.06793 -40.5877 -89.9678 -40.5885 -19.7392 14.9989 -89.9673 15.0004 -55.5462 GPRESSURE: 2871000 -20.89 -76.7062 -114.7 -5.60868 -30.2667 74.925 -80.5697 60.6229 47.7763 PRESSAVG: 2871000 29.4676 -7.91963 -47.7857 -7.91974 -37.1678 -30.0147 -47.7857 -30.0146 7.5482 GPRESSAVG: 2871000 28.026 -7.23659 -47.3502 -8.94254 -38.2893 -29.3625 -47.5821 -30.4713 9.34027 TIMING: 2871000 CPU: 8648.33, 0.00304004/step Wall: 8648.33, 0.00304004/step, 1.79785 hours remaining, 209.539062 MB of memory in use. ENERGY: 2871000 742.6511 2127.4949 1946.5480 117.0050 -206301.7863 17876.1442 0.0000 0.0000 34427.5512 -149064.3919 300.6644 -183491.9431 -148973.7412 299.7977 -28.1178 -1.1268 555871.4655 -0.0507 -0.3077 PRESSURE: 2871200 -210.882 -35.9055 34.0837 -35.9072 -402.38 -40.8909 34.0842 -40.8905 -69.447 GPRESSURE: 2871200 -147.276 33.8585 143.288 -53.873 -328.482 -31.5455 -48.927 -59.2824 -110.283 PRESSAVG: 2871200 35.4053 -25.3046 -14.5725 -25.3047 -18.209 2.99136 -14.5726 2.99136 -36.6308 GPRESSAVG: 2871200 36.4114 -26.5276 -15.5132 -25.0024 -17.8883 3.2665 -11.523 4.45789 -38.2947 TIMING: 2871200 CPU: 8648.94, 0.00302771/step Wall: 8648.94, 0.00302771/step, 1.79038 hours remaining, 209.539062 MB of memory in use. ENERGY: 2871200 739.6534 2128.9632 1935.2329 117.4150 -205730.8226 17358.4675 0.0000 0.0000 34328.7073 -149122.3833 299.8011 -183451.0906 -149023.7172 300.2342 -227.5697 -195.3469 556027.9312 -6.4782 -6.5905 PRESSURE: 2871400 88.6817 12.0529 36.329 12.0523 143.408 207.917 36.3277 207.918 -46.1178 GPRESSURE: 2871400 108.044 27.4488 14.63 1.03669 102.67 125.874 27.549 243.48 72.4544 PRESSAVG: 2871400 7.31793 27.9674 4.41853 27.9673 3.25249 18.7921 4.41855 18.7921 -48.578 GPRESSAVG: 2871400 5.93692 26.2958 6.11325 26.7423 3.67969 19.3228 3.11271 17.8274 -47.9779 TIMING: 2871400 CPU: 8649.54, 0.00298398/step Wall: 8649.54, 0.00298398/step, 1.76436 hours remaining, 209.539062 MB of memory in use. ENERGY: 2871400 740.8024 2093.6854 1905.7261 112.4455 -205921.6388 17601.8095 0.0000 0.0000 34339.0937 -149128.0761 299.8918 -183467.1698 -149026.6017 299.8266 61.9908 94.3893 555362.8654 -12.6692 -12.7871 PRESSURE: 2871600 81.4143 153.346 91.2444 153.346 -24.5895 -48.6872 91.2437 -48.6876 83.1087 GPRESSURE: 2871600 64.3309 152.355 107.4 193.922 36.6447 -68.9047 41.6952 8.00056 139.98 PRESSAVG: 2871600 36.0253 -62.9912 14.9919 -62.9912 68.0549 81.6008 14.9919 81.6008 -77.063 GPRESSAVG: 2871600 35.8823 -63.604 13.4786 -60.2093 67.9842 79.0006 15.0888 84.6944 -76.9033 TIMING: 2871600 CPU: 8650.13, 0.00296339/step Wall: 8650.13, 0.00296339/step, 1.75202 hours remaining, 209.539062 MB of memory in use. ENERGY: 2871600 748.9472 2144.8691 1929.0307 109.1838 -206389.9368 17841.8682 0.0000 0.0000 34382.3199 -149233.7178 300.2694 -183616.0377 -149136.3650 299.8134 46.6445 80.3186 555579.0598 9.0057 8.9878 PRESSURE: 2871800 -193.181 -137.124 -65.4242 -137.125 17.6449 -99.7915 -65.4236 -99.79 2.95397 GPRESSURE: 2871800 -132.644 -90.7614 -49.747 -107.457 59.0276 -25.2548 -95.6877 -235.353 -0.868294 PRESSAVG: 2871800 44.7135 -42.6672 22.801 -42.6671 13.7426 -15.3485 22.8011 -15.3484 -46.2706 GPRESSAVG: 2871800 46.1709 -41.9652 24.7943 -43.8688 12.7333 -13.6267 22.9095 -16.8346 -46.3483 TIMING: 2871800 CPU: 8650.73, 0.00298877/step Wall: 8650.73, 0.00298877/step, 1.76686 hours remaining, 209.539062 MB of memory in use. ENERGY: 2871800 793.0696 2100.4338 1923.9065 115.5097 -206506.0845 17967.3418 0.0000 0.0000 34306.0109 -149299.8122 299.6029 -183605.8230 -149201.9464 299.1728 -57.5275 -24.8284 557491.9838 4.0618 4.1853 PRESSURE: 2872000 38.327 40.3609 67.2853 40.3618 -4.08815 109.698 67.2844 109.699 40.1566 GPRESSURE: 2872000 113.446 53.8692 80.0761 -6.56579 34.7016 160.856 53.191 46.016 24.7051 PRESSAVG: 2872000 32.1025 -25.0571 -62.4107 -25.0572 49.8867 19.8823 -62.4107 19.8822 -43.4518 GPRESSAVG: 2872000 32.1653 -24.0841 -65.4127 -25.4425 50.2723 20.8411 -63.9505 17.0101 -43.7932 TIMING: 2872000 CPU: 8651.33, 0.00299186/step Wall: 8651.33, 0.00299186/step, 1.76852 hours remaining, 209.539062 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: 2872000 743.2231 2098.0330 1929.7497 113.4315 -206504.4325 17863.2562 0.0000 0.0000 34335.5705 -149421.1686 299.8611 -183756.7391 -149328.4877 299.3626 24.7985 57.6175 555635.2582 12.8458 12.8815 PRESSURE: 2872200 57.1646 -20.9619 -42.1007 -20.962 320.679 -43.6285 -42.101 -43.6289 371.925 GPRESSURE: 2872200 58.4423 -74.9038 -9.67009 3.37403 343.482 -30.4846 -24.7341 -37.6826 439.26 PRESSAVG: 2872200 -53.648 18.9637 -5.52574 18.9636 5.88069 -21.2178 -5.52569 -21.2177 80.5415 GPRESSAVG: 2872200 -54.4346 18.4812 -5.44392 20.5663 5.58711 -22.9981 -3.29839 -18.8685 81.5421 TIMING: 2872200 CPU: 8651.92, 0.00299002/step Wall: 8651.92, 0.00299002/step, 1.76727 hours remaining, 209.539062 MB of memory in use. ENERGY: 2872200 720.9159 2142.9457 1930.6185 113.6301 -206528.9525 18096.4091 0.0000 0.0000 34195.3174 -149329.1157 298.6362 -183524.4332 -149232.1454 299.0766 249.9227 280.3948 555365.1737 10.9247 10.8982 LDB: ============= START OF LOAD BALANCING ============== 8655.44 LDB: ============== END OF LOAD BALANCING =============== 8655.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8655.44 LDB: ============= START OF LOAD BALANCING ============== 8655.74 LDB: Largest compute 4772 load 0.029677 is 25.1% of average load 0.118035 LDB: Average compute 0.001743 is 1.5% of average load 0.118035 LDB: TIME 8655.75 LOAD: AVG 0.118035 MAX 0.206 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 8655.75 LOAD: AVG 0.118035 MAX 0.206 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.402 MB LDB: TIME 8655.75 LOAD: AVG 0.118035 MAX 0.206 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.402 MB LDB: ============== END OF LOAD BALANCING =============== 8655.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8655.75 PRESSURE: 2872400 -79.3442 -1.04404 -297.067 -1.0435 34.5954 24.6003 -297.068 24.5991 -163.135 GPRESSURE: 2872400 -57.4196 41.265 -320.789 -48.2829 105.662 -22.4263 -303.886 42.0535 -164.156 PRESSAVG: 2872400 -53.6896 33.5695 -35.2586 33.5694 103.214 -21.8956 -35.2585 -21.8956 -3.03444 GPRESSAVG: 2872400 -53.5233 33.8732 -35.883 31.1575 102.792 -20.2804 -37.6949 -23.4103 -2.88668 TIMING: 2872400 CPU: 8652.53, 0.00305434/step Wall: 8652.53, 0.00305434/step, 1.80511 hours remaining, 208.996094 MB of memory in use. ENERGY: 2872400 759.6694 2139.6019 1948.2993 127.8929 -205898.5310 17494.6783 0.0000 0.0000 34153.6214 -149274.7678 298.2721 -183428.3892 -149184.0523 299.0008 -69.2947 -38.6379 555966.2034 15.4967 15.4606 PRESSURE: 2872600 -207.113 -21.6729 1.42829 -21.6736 23.0353 -56.5818 1.42761 -56.5807 -92.4557 GPRESSURE: 2872600 -179.945 -72.6078 59.3111 64.1276 72.0548 -62.8754 -80.3314 -76.4223 -69.2213 PRESSAVG: 2872600 -44.7811 11.3798 14.1545 11.3799 26.7241 -14.2537 14.1545 -14.2537 4.11743 GPRESSAVG: 2872600 -45.12 11.23 17.2273 12.5978 28.6669 -15.7222 15.2955 -11.5136 2.73452 TIMING: 2872600 CPU: 8653.14, 0.00300478/step Wall: 8653.14, 0.00300478/step, 1.77566 hours remaining, 208.996094 MB of memory in use. ENERGY: 2872600 763.5860 2122.8356 1949.4654 106.1707 -206064.5066 17652.3335 0.0000 0.0000 34402.9023 -149067.2130 300.4491 -183470.1153 -148969.8344 300.0027 -92.1778 -59.0373 556687.8893 -4.6465 -4.5728 PRESSURE: 2872800 -94.1505 41.0118 -115.136 41.0113 332.395 -164.133 -115.136 -164.133 -288.474 GPRESSURE: 2872800 -30.7089 13.4086 -143.615 87.9802 312.134 -125.276 -80.388 -162.745 -238.867 PRESSAVG: 2872800 36.2741 67.4527 -59.8965 67.4527 14.6503 -4.18523 -59.8965 -4.18523 -1.37661 GPRESSAVG: 2872800 36.0243 67.1052 -60.8016 65.595 14.3806 -2.82956 -62.4901 -5.82253 -0.688264 TIMING: 2872800 CPU: 8653.73, 0.00299036/step Wall: 8653.73, 0.00299036/step, 1.76697 hours remaining, 209.289062 MB of memory in use. ENERGY: 2872800 761.1828 2075.4996 1943.8545 121.8515 -205972.5819 17718.5865 0.0000 0.0000 34319.9986 -149031.6086 299.7251 -183351.6072 -148932.8392 299.9499 -16.7432 14.1857 558033.8153 16.5159 16.5722 PRESSURE: 2873000 155.527 80.4966 -80.8866 80.497 32.7681 -6.36077 -80.8873 -6.36237 -0.154082 GPRESSURE: 2873000 185.137 40.7751 -80.3138 122.923 56.1687 -49.6099 -115.391 13.8251 36.5337 PRESSAVG: 2873000 6.39513 71.5821 -11.3551 71.5821 47.2817 32.4232 -11.3552 32.4231 -52.6523 GPRESSAVG: 2873000 6.37433 74.3571 -13.4164 71.8137 47.5153 31.4866 -8.11396 33.0301 -53.0443 TIMING: 2873000 CPU: 8654.33, 0.00299796/step Wall: 8654.33, 0.00299796/step, 1.77129 hours remaining, 209.289062 MB of memory in use. ENERGY: 2873000 782.4555 2040.4300 1937.8920 117.2211 -205926.8903 17856.8922 0.0000 0.0000 34232.9890 -148959.0107 298.9652 -183191.9996 -148862.0818 300.6310 62.7138 92.6130 557301.6561 0.3415 0.2818 PRESSURE: 2873200 -191.079 -83.928 -9.43302 -83.9268 -204.963 -193.732 -9.43231 -193.731 78.2271 GPRESSURE: 2873200 -145.432 -79.5789 -24.6434 -59.7697 -151.99 -200.121 49.2484 -249.342 89.3063 PRESSAVG: 2873200 29.6654 38.8132 13.936 38.8134 103.012 -29.7676 13.9359 -29.7675 -54.3394 GPRESSAVG: 2873200 31.0671 37.9662 14.9783 39.011 101.927 -30.5303 12.7983 -30.1688 -54.2475 TIMING: 2873200 CPU: 8654.94, 0.00300838/step Wall: 8654.94, 0.00300838/step, 1.77728 hours remaining, 209.289062 MB of memory in use. ENERGY: 2873200 777.6616 2130.6836 1930.6584 121.7152 -206084.8534 17668.7596 0.0000 0.0000 34428.5831 -149026.7919 300.6734 -183455.3749 -148940.4877 299.8949 -105.9383 -69.3717 557565.0630 26.1128 26.2487 PRESSURE: 2873400 -71.6046 109.799 19.2414 109.8 -221.143 43.2199 19.2411 43.2178 -194.238 GPRESSURE: 2873400 -51.2549 -35.7662 30.9839 204.969 -153.801 51.6968 40.9825 45.2633 -184.74 PRESSAVG: 2873400 -49.7491 -8.84234 -17.3049 -8.84243 16.0073 -13.072 -17.3048 -13.0718 -24.084 GPRESSAVG: 2873400 -49.9755 -9.53552 -18.5775 -8.37302 18.0247 -12.1558 -18.7185 -11.4688 -25.6896 TIMING: 2873400 CPU: 8655.54, 0.00300871/step Wall: 8655.54, 0.00300871/step, 1.77731 hours remaining, 209.289062 MB of memory in use. ENERGY: 2873400 783.5693 2091.9129 1948.2870 102.9708 -205919.6934 17675.6945 0.0000 0.0000 34242.1188 -149075.1402 299.0449 -183317.2590 -148982.1851 299.9255 -162.3284 -129.9322 557307.7005 -19.2753 -19.2135 PRESSURE: 2873600 26.9074 121.29 162.306 121.291 -96.2098 63.9839 162.307 63.9816 77.474 GPRESSURE: 2873600 71.5399 121.812 192.697 43.4887 -66.6008 -52.231 147.427 59.1036 95.8018 PRESSAVG: 2873600 31.8188 -15.7839 -7.52853 -15.7839 -7.33856 -33.9189 -7.52856 -33.9189 -23.7409 GPRESSAVG: 2873600 31.4946 -14.9668 -6.71906 -16.0908 -9.96239 -33.3626 -6.88736 -36.0116 -20.9777 TIMING: 2873600 CPU: 8656.15, 0.00304514/step Wall: 8656.15, 0.00304514/step, 1.79866 hours remaining, 209.289062 MB of memory in use. ENERGY: 2873600 772.7983 2150.3100 1928.4815 113.8366 -206243.5264 17913.7815 0.0000 0.0000 34396.5660 -148967.7525 300.3938 -183364.3185 -148872.1386 299.8822 2.7238 33.5803 557283.8817 0.2464 0.1848 PRESSURE: 2873800 97.9918 -85.3614 64.7963 -85.3613 93.5617 -30.5865 64.7969 -30.5882 -102.459 GPRESSURE: 2873800 106.899 -99.3229 40.7241 -93.9488 118.803 -9.49635 129.715 -94.6232 -25.8447 PRESSAVG: 2873800 3.07882 -8.8128 -15.4277 -8.81284 5.69348 -16.6024 -15.4278 -16.6024 -16.8878 GPRESSAVG: 2873800 2.9772 -8.31285 -17.0727 -9.79957 7.18792 -17.7139 -13.9686 -16.8638 -18.0519 TIMING: 2873800 CPU: 8656.75, 0.00299951/step Wall: 8656.75, 0.00299951/step, 1.77155 hours remaining, 209.289062 MB of memory in use. ENERGY: 2873800 729.4802 2132.5025 1937.0107 109.8788 -206268.8367 17950.7717 0.0000 0.0000 34546.4942 -148862.6986 301.7031 -183409.1928 -148766.7432 300.4685 29.6981 66.6193 557698.8715 -2.7052 -2.6289 PRESSURE: 2874000 226.925 -106.055 -36.9054 -106.054 58.8686 55.6949 -36.9069 55.695 -140.557 GPRESSURE: 2874000 326.465 -115.957 -67.9176 -34.2344 37.2763 109.583 15.7436 81.5108 -120.496 PRESSAVG: 2874000 31.6547 0.862824 20.2654 0.862865 -60.3851 -28.7771 20.2654 -28.7771 5.03566 GPRESSAVG: 2874000 32.5719 -0.21061 22.2479 2.87726 -61.7314 -28.253 19.3317 -26.0552 5.5063 TIMING: 2874000 CPU: 8657.35, 0.00301534/step Wall: 8657.35, 0.00301534/step, 1.78072 hours remaining, 209.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2874000 745.8796 2080.6498 1930.7465 110.6224 -206106.7463 17958.2392 0.0000 0.0000 34257.6022 -149023.0066 299.1802 -183280.6088 -148928.4067 300.2667 48.4123 81.0819 558173.5440 -7.8982 -7.8844 PRESSURE: 2874200 26.9763 90.8284 15.3097 90.8297 -174.267 -36.5684 15.3091 -36.5688 -327.243 GPRESSURE: 2874200 6.373 15.4749 4.40614 180.725 -147.09 55.8551 5.07203 -7.63626 -237.695 PRESSAVG: 2874200 -25.2105 -60.6749 18.9694 -60.6748 -14.4461 7.93181 18.9694 7.93181 20.2263 GPRESSAVG: 2874200 -26.7134 -60.1462 19.274 -60.573 -12.7993 10.4461 18.9329 4.33274 20.2057 TIMING: 2874200 CPU: 8657.95, 0.00300434/step Wall: 8657.95, 0.00300434/step, 1.77406 hours remaining, 209.289062 MB of memory in use. ENERGY: 2874200 757.2817 2058.3149 1944.7849 103.0472 -205609.8579 17531.3295 0.0000 0.0000 34298.3388 -148916.7609 299.5359 -183215.0998 -148826.5633 299.6044 -158.1779 -126.1373 557991.1897 -6.4768 -6.4356 PRESSURE: 2874400 158.028 -17.8769 -44.638 -17.8765 -64.8114 11.382 -44.6385 11.3826 244.747 GPRESSURE: 2874400 162.351 19.2672 59.7991 -25.9536 -37.4356 16.4249 -85.6124 -64.5106 319.941 PRESSAVG: 2874400 12.0246 -4.88328 3.31607 -4.88333 19.5838 -18.9054 3.3161 -18.9053 24.0711 GPRESSAVG: 2874400 12.8083 -3.40965 2.66198 -5.94228 19.4078 -21.1256 3.82407 -19.3691 23.4081 TIMING: 2874400 CPU: 8658.55, 0.00300211/step Wall: 8658.55, 0.00300211/step, 1.77258 hours remaining, 209.289062 MB of memory in use. ENERGY: 2874400 749.9335 2106.6296 1934.1488 109.1600 -206304.4823 18011.9699 0.0000 0.0000 34474.3427 -148918.2977 301.0730 -183392.6404 -148817.2365 300.3368 112.6547 148.2852 556823.5294 18.5598 18.5414 PRESSURE: 2874600 53.7525 184.345 -143.086 184.346 68.0351 13.8135 -143.086 13.8139 -44.8984 GPRESSURE: 2874600 123.812 162.763 -103.067 187.533 89.5489 3.89794 -196.286 47.4354 -35.3122 PRESSAVG: 2874600 70.4303 36.6263 12.1586 36.6263 -46.492 -3.98845 12.1585 -3.98856 -35.0618 GPRESSAVG: 2874600 71.6339 35.7105 14.5305 37.6255 -46.6269 -3.66841 10.8148 -1.53118 -36.2598 TIMING: 2874600 CPU: 8659.16, 0.00303699/step Wall: 8659.16, 0.00303699/step, 1.793 hours remaining, 209.289062 MB of memory in use. ENERGY: 2874600 744.9104 2038.0476 1933.9442 102.0256 -205911.8216 17892.5060 0.0000 0.0000 34294.7362 -148905.6516 299.5045 -183200.3878 -148817.4671 300.5370 25.6297 59.3496 559859.4194 -3.7079 -3.7509 PRESSURE: 2874800 138.6 -195.296 -18.6684 -195.297 103.993 57.1894 -18.6682 57.1911 68.2006 GPRESSURE: 2874800 175.679 -161.597 45.2536 -262.118 133.839 85.2258 -113.496 -17.3025 99.8377 PRESSAVG: 2874800 -46.8939 -36.2396 -12.7331 -36.2397 9.58896 77.7061 -12.7331 77.7062 14.4069 GPRESSAVG: 2874800 -48.172 -38.9803 -14.3903 -36.9851 9.46566 77.7711 -11.9345 77.1068 15.4232 TIMING: 2874800 CPU: 8659.76, 0.00300608/step Wall: 8659.76, 0.00300608/step, 1.77459 hours remaining, 209.289062 MB of memory in use. ENERGY: 2874800 780.7844 2134.5453 1950.2666 113.7092 -206367.0983 17926.7003 0.0000 0.0000 34332.9636 -149128.1290 299.8383 -183461.0926 -149036.4302 300.0968 103.5978 136.4517 557583.0868 -7.6327 -7.7611 PRESSURE: 2875000 -187.109 2.93986 -36.4021 2.93955 -36.3161 237.667 -36.4024 237.667 -134.386 GPRESSURE: 2875000 -163.71 12.3086 -8.99329 -101.943 -1.74807 293.37 -115.77 203.159 -102.732 PRESSAVG: 2875000 -71.9593 41.5618 2.05642 41.5618 -3.39128 48.0875 2.05645 48.0874 51.7433 GPRESSAVG: 2875000 -73.2062 41.2114 1.50994 42.2309 -3.19544 49.7091 3.544 47.5651 52.3512 TIMING: 2875000 CPU: 8660.36, 0.00301857/step Wall: 8660.36, 0.00301857/step, 1.78179 hours remaining, 209.289062 MB of memory in use. ENERGY: 2875000 740.6307 2093.8314 1952.1331 96.9288 -205855.3119 17601.9733 0.0000 0.0000 34179.8717 -149189.9430 298.5013 -183369.8147 -149094.5979 299.6457 -119.2703 -89.3970 558384.2164 -7.8691 -8.0168 PRESSURE: 2875200 -2.81698 95.5279 -133.327 95.5277 -13.0575 235.511 -133.327 235.512 86.8043 GPRESSURE: 2875200 13.3514 115.027 -111.607 110.054 35.0671 167.624 -142.542 171.797 128.39 PRESSAVG: 2875200 -18.9563 21.5162 20.4604 21.5163 0.220619 21.4705 20.4605 21.4705 22.0073 GPRESSAVG: 2875200 -17.8151 24.2909 19.2502 21.5156 -0.521073 22.0658 20.2865 20.611 21.6292 TIMING: 2875200 CPU: 8660.96, 0.00297267/step Wall: 8660.96, 0.00297267/step, 1.75453 hours remaining, 209.492188 MB of memory in use. ENERGY: 2875200 734.2732 2120.6808 1936.6915 107.2804 -206177.8025 17892.2448 0.0000 0.0000 34191.8301 -149194.8017 298.6058 -183386.6318 -149100.9083 299.4649 23.6433 58.9363 557998.5875 1.0905 1.0977 PRESSURE: 2875400 -262.304 -8.52242 61.8125 -8.52135 253.377 62.9273 61.8125 62.9259 -224.305 GPRESSURE: 2875400 -230.26 32.5119 55.6565 -48.2668 279.595 122.691 38.3606 6.27104 -194.693 PRESSAVG: 2875400 -33.1034 44.3213 -34.3826 44.3213 38.6881 13.9313 -34.3827 13.9313 6.19591 GPRESSAVG: 2875400 -33.1056 43.9482 -35.388 45.1741 38.6656 13.1507 -34.9799 15.204 6.31065 TIMING: 2875400 CPU: 8661.55, 0.00296185/step Wall: 8661.55, 0.00296185/step, 1.74799 hours remaining, 209.492188 MB of memory in use. ENERGY: 2875400 793.8736 2082.0642 1968.5922 103.6743 -206396.3009 17823.7145 0.0000 0.0000 34359.6434 -149264.7386 300.0713 -183624.3820 -149169.1826 298.9490 -77.7437 -48.4525 556377.6067 3.9269 3.9569 PRESSURE: 2875600 -135.198 -56.0103 -10.781 -56.0081 -288.157 -50.3248 -10.7805 -50.3251 -264.351 GPRESSURE: 2875600 -142.869 -88.7907 78.0047 52.9207 -196.82 -11.8679 -90.0324 -13.3904 -241.665 PRESSAVG: 2875600 -68.2321 8.73623 -28.8757 8.73608 79.7939 -6.91962 -28.8757 -6.91964 21.9264 GPRESSAVG: 2875600 -67.5807 7.50229 -28.3904 8.95411 80.0451 -8.42779 -29.3853 -4.45563 20.9133 TIMING: 2875600 CPU: 8662.14, 0.00295967/step Wall: 8662.14, 0.00295967/step, 1.74653 hours remaining, 209.492188 MB of memory in use. ENERGY: 2875600 741.3212 2117.3687 1952.6483 102.8519 -205890.7358 17464.7245 0.0000 0.0000 34403.2083 -149108.6129 300.4518 -183511.8212 -149010.7964 299.1610 -229.2354 -193.7847 559146.5772 11.1627 11.1259 PRESSURE: 2875800 61.095 63.2404 -99.2185 63.2401 240.181 -127.091 -99.2176 -127.091 -70.7381 GPRESSURE: 2875800 126.665 -7.34013 -88.1706 25.4732 280.431 -147.084 -140.405 -112.641 -76.44 PRESSAVG: 2875800 -26.9823 11.8314 -89.808 11.8313 76.8554 -24.7267 -89.8081 -24.7266 -83.8131 GPRESSAVG: 2875800 -27.1069 12.6617 -90.5714 11.0007 76.9541 -22.0023 -90.753 -28.4217 -83.643 TIMING: 2875800 CPU: 8662.73, 0.00296183/step Wall: 8662.73, 0.00296183/step, 1.74764 hours remaining, 209.492188 MB of memory in use. ENERGY: 2875800 766.3388 2087.9129 1944.1012 106.8727 -206335.7892 18044.1196 0.0000 0.0000 34382.3124 -149004.1316 300.2693 -183386.4440 -148910.6747 299.4160 76.8460 110.2185 558238.5942 -11.3134 -11.2653 PRESSURE: 2876000 10.7642 -140.905 -52.798 -140.904 -62.865 61.6197 -52.7984 61.6205 1.06277 GPRESSURE: 2876000 10.9687 -106.246 -34.7399 -222.428 3.99444 56.1731 -34.1379 -14.7581 26.7085 PRESSAVG: 2876000 -1.29071 32.3547 3.65145 32.3548 18.9081 0.715727 3.65144 0.715611 -23.4338 GPRESSAVG: 2876000 -0.720652 31.3116 4.21402 32.2915 18.8899 0.212275 4.56926 0.909267 -24.2056 TIMING: 2876000 CPU: 8663.33, 0.00299138/step Wall: 8663.33, 0.00299138/step, 1.76492 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: 2876000 733.1383 2052.4573 1953.7277 125.2997 -205858.9494 17611.0877 0.0000 0.0000 34286.1101 -149097.1285 299.4291 -183383.2386 -149004.2805 300.3130 -17.0127 13.8905 557940.7773 -1.9388 -2.0121 PRESSURE: 2876200 -10.3101 -71.1743 14.5695 -71.174 -252.229 -52.7535 14.5691 -52.7534 1.02832 GPRESSURE: 2876200 47.6639 -19.9216 -56.0345 -32.1374 -195.296 -59.9838 -38.9556 16.4685 -9.16151 PRESSAVG: 2876200 37.4931 68.7098 -19.6941 68.7097 -31.3428 -3.41256 -19.6941 -3.41267 -26.9027 GPRESSAVG: 2876200 35.1842 70.7791 -19.0466 68.2257 -31.6215 -3.74963 -20.9425 -1.55879 -24.325 TIMING: 2876200 CPU: 8663.93, 0.00297362/step Wall: 8663.93, 0.00297362/step, 1.75427 hours remaining, 209.492188 MB of memory in use. ENERGY: 2876200 752.7938 2108.8900 1960.0609 136.1834 -205894.9766 17771.9495 0.0000 0.0000 34309.8540 -148855.2450 299.6365 -183165.0990 -148755.2746 299.3784 -87.1702 -52.2646 558029.5130 -6.9175 -6.9208 LDB: ============= START OF LOAD BALANCING ============== 8667.44 LDB: ============== END OF LOAD BALANCING =============== 8667.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8667.44 LDB: ============= START OF LOAD BALANCING ============== 8667.74 LDB: Largest compute 4772 load 0.029108 is 24.7% of average load 0.118078 LDB: Average compute 0.001737 is 1.5% of average load 0.118078 LDB: TIME 8667.74 LOAD: AVG 0.118078 MAX 0.205478 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 213.406 MB LDB: TIME 8667.74 LOAD: AVG 0.118078 MAX 0.205478 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 213.406 MB LDB: TIME 8667.74 LOAD: AVG 0.118078 MAX 0.205478 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 213.406 MB LDB: ============== END OF LOAD BALANCING =============== 8667.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8667.75 PRESSURE: 2876400 -183.771 -204.239 -76.0142 -204.239 -275.132 54.0049 -76.0152 54.0061 -186.797 GPRESSURE: 2876400 -157.231 -232.761 -150.053 -94.8476 -228.877 68.6058 -30.598 19.5216 -162.757 PRESSAVG: 2876400 85.6107 -17.0267 17.2572 -17.0267 14.8905 78.0037 17.2573 78.0038 -55.1581 GPRESSAVG: 2876400 87.2448 -19.4992 19.5692 -16.2303 14.9891 78.8254 17.7423 77.6437 -57.1559 TIMING: 2876400 CPU: 8664.53, 0.00302769/step Wall: 8664.53, 0.00302769/step, 1.786 hours remaining, 209.128906 MB of memory in use. ENERGY: 2876400 726.7593 2076.4505 1953.5418 107.1936 -205892.9550 17475.8238 0.0000 0.0000 34485.3906 -149067.7953 301.1695 -183553.1860 -148971.1545 300.1625 -215.2333 -182.9549 559501.5933 15.1144 15.0260 PRESSURE: 2876600 -190.82 -5.30731 67.3163 -5.30756 -122.962 -26.6113 67.316 -26.6118 -217.781 GPRESSURE: 2876600 -180.882 -36.3026 57.2638 35.1471 -123.599 -33.9495 28.0448 55.0459 -130.6 PRESSAVG: 2876600 7.42906 -24.0092 7.50205 -24.0092 12.8833 68.9521 7.50202 68.952 4.23022 GPRESSAVG: 2876600 5.93682 -23.2142 4.08499 -24.5289 12.8088 66.4548 8.44921 70.4241 5.42218 TIMING: 2876600 CPU: 8665.13, 0.00297589/step Wall: 8665.13, 0.00297589/step, 1.75528 hours remaining, 209.386719 MB of memory in use. ENERGY: 2876600 755.3532 2084.7236 1937.4318 119.2975 -206030.2461 17700.2454 0.0000 0.0000 34376.0415 -149057.1530 300.2145 -183433.1945 -148958.0927 300.0560 -177.1880 -145.0270 559320.7856 8.1809 8.0559 PRESSURE: 2876800 -14.1538 24.1642 211.46 24.1652 -109.287 -81.5375 211.461 -81.5376 -123.897 GPRESSURE: 2876800 23.6722 -11.4859 239.264 -57.2824 -87.7957 -155.992 230.144 -82.0813 -78.4039 PRESSAVG: 2876800 6.181 23.6847 32.6855 23.6847 -21.2878 1.23525 32.6855 1.23528 22.2826 GPRESSAVG: 2876800 8.29108 25.8583 33.9936 22.1144 -21.118 0.696245 32.8579 0.216189 20.3685 TIMING: 2876800 CPU: 8665.73, 0.0029885/step Wall: 8665.73, 0.0029885/step, 1.76255 hours remaining, 209.386719 MB of memory in use. ENERGY: 2876800 746.9374 2072.8410 1971.4036 126.5377 -205935.6491 17803.1639 0.0000 0.0000 34332.4072 -148882.3582 299.8335 -183214.7654 -148785.2615 299.8189 -82.4461 -47.5091 558769.0059 2.3919 2.5138 PRESSURE: 2877000 398.521 -58.9936 -212.027 -58.9943 -92.2783 224.23 -212.027 224.229 100.863 GPRESSURE: 2877000 329.728 11.6093 -230.733 -93.8727 -30.4462 245.17 -139.873 132.404 218.336 PRESSAVG: 2877000 50.5826 -0.116563 12.7379 -0.116615 -89.9401 11.1716 12.7377 11.1717 3.54669 GPRESSAVG: 2877000 49.3463 -1.47504 11.6658 0.957017 -89.7409 11.5691 13.0558 11.4137 5.22566 TIMING: 2877000 CPU: 8666.32, 0.00299392/step Wall: 8666.32, 0.00299392/step, 1.76558 hours remaining, 209.386719 MB of memory in use. ENERGY: 2877000 713.2410 2095.6652 1967.8360 110.6347 -206060.2866 18038.1316 0.0000 0.0000 34264.5190 -148870.2591 299.2406 -183134.7781 -148776.0954 300.4948 135.7020 172.5390 557599.5513 -11.9369 -11.7230 PRESSURE: 2877200 345.33 117.057 -129.907 117.058 -140.751 67.5232 -129.908 67.5224 -25.7414 GPRESSURE: 2877200 299.234 149.474 -177.196 78.7491 -44.626 115.194 -160.348 2.60859 26.0738 PRESSAVG: 2877200 89.4607 -9.56197 -21.8902 -9.56196 -40.9388 14.6178 -21.8903 14.6178 -12.4353 GPRESSAVG: 2877200 90.2729 -8.50133 -19.6214 -9.65282 -40.9897 17.3029 -22.7684 14.2691 -13.5654 TIMING: 2877200 CPU: 8666.93, 0.00302939/step Wall: 8666.93, 0.00302939/step, 1.78633 hours remaining, 209.386719 MB of memory in use. ENERGY: 2877200 726.6611 2103.7197 1966.1614 117.1771 -206178.8545 17875.5419 0.0000 0.0000 34630.2888 -148759.3043 302.4349 -183389.5932 -148657.6942 300.6739 59.6124 93.5605 557918.2984 12.0288 11.9059 PRESSURE: 2877400 11.1439 -146.265 -17.3421 -146.265 20.8046 137.099 -17.3416 137.099 -29.3046 GPRESSURE: 2877400 128.258 -94.95 46.7847 -78.7709 11.1423 129.637 -48.2809 35.5554 -46.9495 PRESSAVG: 2877400 28.2208 -13.7394 25.1566 -13.7395 -14.9905 17.3361 25.1567 17.3361 -23.1588 GPRESSAVG: 2877400 27.7149 -16.094 23.2658 -12.3573 -14.5321 15.5403 24.9831 17.3551 -23.0778 TIMING: 2877400 CPU: 8667.53, 0.00301706/step Wall: 8667.53, 0.00301706/step, 1.77889 hours remaining, 209.386719 MB of memory in use. ENERGY: 2877400 718.0673 2119.5528 1968.7961 103.8072 -205855.7848 17687.0584 0.0000 0.0000 34629.6673 -148628.8356 302.4295 -183258.5030 -148534.3355 301.4767 0.8813 30.8171 556902.7189 -3.3095 -3.2983 PRESSURE: 2877600 211.458 -58.0071 24.5951 -58.0072 -182.429 13.2967 24.5958 13.2958 -53.4715 GPRESSURE: 2877600 207.788 -111.592 51.6111 -32.7594 -111.496 0.915385 -44.5271 -27.254 -22.6103 PRESSAVG: 2877600 58.2193 26.0624 3.90363 26.0624 42.2056 -14.8315 3.90365 -14.8315 -7.21177 GPRESSAVG: 2877600 58.9084 28.4082 4.15156 23.5618 41.7136 -15.5313 5.11634 -11.8578 -7.91201 TIMING: 2877600 CPU: 8668.13, 0.00300535/step Wall: 8668.13, 0.00300535/step, 1.77182 hours remaining, 209.386719 MB of memory in use. ENERGY: 2877600 736.6798 2114.4449 1926.8356 118.0686 -205830.7102 17750.4245 0.0000 0.0000 34434.2256 -148750.0311 300.7227 -183184.2567 -148650.7893 301.0056 -8.1474 24.5604 556736.5380 31.0710 30.9033 PRESSURE: 2877800 -157.025 -31.7427 91.3708 -31.742 -224.795 108.828 91.3704 108.829 78.0878 GPRESSURE: 2877800 -116.078 44.0696 78.0413 -23.8794 -200.237 164.252 87.5101 55.2356 120.521 PRESSAVG: 2877800 38.1074 -24.9314 -23.884 -24.9314 6.6142 19.2439 -23.8839 19.244 -33.5848 GPRESSAVG: 2877800 36.3338 -25.9406 -24.2086 -21.2548 5.42706 20.0205 -24.3307 17.4479 -31.0508 TIMING: 2877800 CPU: 8668.73, 0.00300283/step Wall: 8668.73, 0.00300283/step, 1.77017 hours remaining, 209.386719 MB of memory in use. ENERGY: 2877800 709.4427 2077.3218 1983.8219 98.5251 -205785.9542 17784.7840 0.0000 0.0000 34376.4509 -148755.6077 300.2181 -183132.0586 -148657.5025 300.7245 -101.2442 -65.2647 557478.9881 3.7123 3.5700 PRESSURE: 2878000 -41.0356 132.978 27.5529 132.977 -356.96 -31.1086 27.5531 -31.1089 45.5005 GPRESSURE: 2878000 27.1458 269.382 66.6219 66.881 -307.165 -38.3078 -33.244 38.4802 27.2662 PRESSAVG: 2878000 -32.8767 -45.0952 -14.4985 -45.0952 -17.5761 -0.0761125 -14.4985 -0.0761709 -14.0577 GPRESSAVG: 2878000 -31.1651 -45.0722 -15.2453 -47.4662 -16.4214 -0.00694233 -14.5237 -0.951008 -17.561 TIMING: 2878000 CPU: 8669.34, 0.00300982/step Wall: 8669.34, 0.00300982/step, 1.77412 hours remaining, 209.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2878000 738.8411 2049.9597 1952.4261 104.3289 -205951.5722 17796.6385 0.0000 0.0000 34438.8858 -148870.4921 300.7634 -183309.3779 -148773.5892 299.9872 -117.4983 -84.2510 559139.9499 -21.5035 -21.7158 PRESSURE: 2878200 -105.594 -260.581 79.8809 -260.582 33.3262 79.884 79.8816 79.8825 -244.044 GPRESSURE: 2878200 -51.235 -213.531 25.8779 -249.218 49.927 1.20943 89.8809 99.5154 -210.673 PRESSAVG: 2878200 -40.8119 -44.1516 -9.57034 -44.1516 -2.00528 9.97583 -9.5703 9.97589 45.5962 GPRESSAVG: 2878200 -41.6369 -44.8944 -9.00926 -43.1327 -3.04554 9.46801 -9.00728 11.2789 47.0394 TIMING: 2878200 CPU: 8669.94, 0.0030093/step Wall: 8669.94, 0.0030093/step, 1.77365 hours remaining, 209.515625 MB of memory in use. ENERGY: 2878200 749.7530 2072.0503 1951.8968 123.5830 -206069.1580 17709.0163 0.0000 0.0000 34583.9779 -148878.8807 302.0305 -183462.8586 -148781.9780 300.5737 -105.4372 -70.6603 557224.3327 0.9263 0.7857 PRESSURE: 2878400 -53.4088 45.5268 -66.3834 45.526 193.774 8.52762 -66.383 8.52597 -252.548 GPRESSURE: 2878400 -40.7834 -21.4706 8.5824 26.1856 190.474 -74.957 -78.4376 55.0989 -168.938 PRESSAVG: 2878400 -42.2006 -41.1466 -1.31592 -41.1467 22.6657 -16.807 -1.31592 -16.8071 9.97475 GPRESSAVG: 2878400 -42.7199 -40.5324 1.64415 -40.307 22.4559 -16.2761 -4.47653 -17.5467 10.6792 TIMING: 2878400 CPU: 8670.54, 0.00299082/step Wall: 8670.54, 0.00299082/step, 1.76259 hours remaining, 209.527344 MB of memory in use. ENERGY: 2878400 758.8246 2067.5428 1938.9435 118.3031 -206036.4881 17856.6449 0.0000 0.0000 34338.4569 -148957.7724 299.8863 -183296.2292 -148860.2259 300.6867 -37.3944 -6.4158 556872.0974 -3.1867 -3.1950 PRESSURE: 2878600 0.228191 -58.9627 18.7993 -58.9626 -34.2661 44.6292 18.799 44.6286 95.12 GPRESSURE: 2878600 48.6814 -48.7222 55.3642 -53.0515 14.5806 81.7388 27.5238 40.5434 93.8486 PRESSAVG: 2878600 -65.42 4.97753 15.9638 4.97737 75.3352 -36.8495 15.9638 -36.8494 25.298 GPRESSAVG: 2878600 -65.1721 7.05734 14.5454 1.17778 76.3618 -37.0047 18.3865 -36.6725 24.0463 TIMING: 2878600 CPU: 8671.13, 0.00297834/step Wall: 8671.13, 0.00297834/step, 1.75507 hours remaining, 209.527344 MB of memory in use. ENERGY: 2878600 728.8372 2049.5276 1945.9287 116.3748 -206077.9550 17743.6854 0.0000 0.0000 34475.2263 -149018.3750 301.0807 -183493.6013 -148922.2299 299.9936 20.3607 52.3702 557730.8742 11.7378 11.7453 PRESSURE: 2878800 -95.5688 -45.4616 128.047 -45.4623 -23.7159 55.8562 128.048 55.8564 -159.052 GPRESSURE: 2878800 -40.3656 -38.1815 132.047 28.4631 -37.3595 6.50436 63.3734 19.8775 -95.0706 PRESSAVG: 2878800 -29.2329 -21.169 -39.1219 -21.1691 10.701 13.3189 -39.1219 13.3189 9.92741 GPRESSAVG: 2878800 -30.4537 -23.1339 -37.799 -17.3349 11.0352 16.5288 -37.8616 10.8058 10.6894 TIMING: 2878800 CPU: 8671.74, 0.00302568/step Wall: 8671.74, 0.00302568/step, 1.7828 hours remaining, 209.527344 MB of memory in use. ENERGY: 2878800 707.1363 2085.7757 1953.2669 123.7878 -205837.3209 17554.0264 0.0000 0.0000 34544.4846 -148868.8432 301.6856 -183413.3278 -148772.7270 300.7805 -92.7790 -57.5985 558683.1668 -2.8682 -2.9097 PRESSURE: 2879000 -270.757 -24.9733 -186.745 -24.9739 -20.9508 -67.7848 -186.746 -67.7855 -21.0377 GPRESSURE: 2879000 -245.649 10.9798 -212.504 -47.3505 24.9976 -17.7427 -143.822 -98.4719 7.64735 PRESSAVG: 2879000 -49.3824 -61.0466 0.554328 -61.0465 -3.08958 10.7198 0.554362 10.72 98.1623 GPRESSAVG: 2879000 -47.8979 -61.1167 0.41433 -60.4489 -4.71837 7.93987 -1.74639 12.4892 97.982 TIMING: 2879000 CPU: 8672.34, 0.00301343/step Wall: 8672.34, 0.00301343/step, 1.77541 hours remaining, 209.527344 MB of memory in use. ENERGY: 2879000 732.3579 2116.8258 1972.7570 119.1801 -205663.6293 17493.2263 0.0000 0.0000 34363.8090 -148865.4731 300.1077 -183229.2822 -148778.8444 300.4166 -104.2485 -71.0012 557946.6718 15.2301 15.1219 PRESSURE: 2879200 -248.04 -56.305 -12.3877 -56.306 -265.385 -42.3266 -12.3871 -42.3274 -191.138 GPRESSURE: 2879200 -164.483 -5.49026 -50.3917 -107.093 -206.113 -82.9561 -57.7247 -24.6726 -232.306 PRESSAVG: 2879200 17.7434 -4.28391 -22.2966 -4.28387 -14.0069 18.2444 -22.2966 18.2443 49.925 GPRESSAVG: 2879200 17.2019 -3.71095 -23.6655 -7.28606 -13.0864 19.2736 -23.1295 18.7153 49.3488 TIMING: 2879200 CPU: 8672.95, 0.00304009/step Wall: 8672.95, 0.00304009/step, 1.79095 hours remaining, 209.527344 MB of memory in use. ENERGY: 2879200 738.8267 2107.4845 1970.1985 120.3637 -205541.8039 17507.3877 0.0000 0.0000 34203.9784 -148893.5644 298.7119 -183097.5428 -148800.0673 300.1128 -234.8545 -200.9672 559636.0844 17.8872 17.8214 PRESSURE: 2879400 -54.1623 53.1358 -93.9609 53.1361 -152.249 -35.1359 -93.9615 -35.1366 -95.174 GPRESSURE: 2879400 0.809402 -2.73342 -104.608 105.632 -147.025 10.5893 -49.4262 -45.6045 -60.1339 PRESSAVG: 2879400 -39.3629 -34.0404 10.367 -34.0403 -50.1521 -10.6395 10.367 -10.6395 63.9158 GPRESSAVG: 2879400 -39.3216 -33.9417 10.474 -32.2438 -50.1566 -10.3251 11.8392 -11.0718 63.8606 TIMING: 2879400 CPU: 8673.55, 0.00302405/step Wall: 8673.55, 0.00302405/step, 1.78133 hours remaining, 209.527344 MB of memory in use. ENERGY: 2879400 731.7685 2069.7284 1920.4930 113.4851 -205908.0743 17673.4746 0.0000 0.0000 34236.0683 -149163.0563 298.9921 -183399.1247 -149062.2207 299.7135 -100.5285 -68.7831 558031.3163 -8.5331 -8.5392 PRESSURE: 2879600 217.204 -4.09591 177.607 -4.09706 -26.3259 96.0122 177.606 96.0104 75.9515 GPRESSURE: 2879600 284.812 7.57961 131.778 -71.5586 -0.0980107 155.187 130.205 112.538 80.364 PRESSAVG: 2879600 -15.3987 -6.61258 -5.52772 -6.61259 6.86839 1.45827 -5.52775 1.45826 28.6652 GPRESSAVG: 2879600 -15.2394 -7.43249 -7.61593 -7.33832 6.21264 1.67067 -5.42701 1.53792 28.6162 TIMING: 2879600 CPU: 8674.16, 0.0030563/step Wall: 8674.16, 0.0030563/step, 1.80016 hours remaining, 209.527344 MB of memory in use. ENERGY: 2879600 732.1742 2086.2125 1933.7898 101.7713 -206424.3640 17976.5816 0.0000 0.0000 34488.4228 -149105.4117 301.1960 -183593.8346 -149016.5533 299.6253 88.9431 121.6927 557238.9424 6.7116 6.5298 PRESSURE: 2879800 67.7694 144.126 5.16963 144.125 72.0074 87.3357 5.16982 87.3359 -160.73 GPRESSURE: 2879800 128.15 152.498 18.7328 124.014 109.807 81.1269 -38.5251 30.182 -166.022 PRESSAVG: 2879800 26.9098 -36.3559 9.90683 -36.3559 19.7919 -38.3608 9.90692 -38.3608 -78.2138 GPRESSAVG: 2879800 26.5919 -37.6771 12.5154 -34.4699 19.9922 -38.3158 10.5595 -38.2124 -78.9391 TIMING: 2879800 CPU: 8674.78, 0.0030714/step Wall: 8674.78, 0.0030714/step, 1.80888 hours remaining, 209.527344 MB of memory in use. ENERGY: 2879800 722.4481 2050.9287 1959.4550 112.4864 -206295.4375 17907.6667 0.0000 0.0000 34314.3856 -149228.0669 299.6761 -183542.4525 -149129.0102 299.3147 -6.9843 23.9784 557422.2297 -10.5040 -10.7850 PRESSURE: 2880000 -107.495 25.6286 220.453 25.6273 -150.498 -1.37047 220.453 -1.37029 -189.389 GPRESSURE: 2880000 -127.357 -21.0339 170.905 -34.6382 -146.552 10.3381 248.527 7.85363 -69.1666 PRESSAVG: 2880000 4.96342 7.45324 22.9259 7.45324 16.5356 14.3892 22.9259 14.3891 -7.91323 GPRESSAVG: 2880000 5.35822 8.07991 23.9136 6.93017 15.1299 17.1431 22.9922 13.9111 -7.04893 TIMING: 2880000 CPU: 8675.39, 0.00304368/step Wall: 8675.39, 0.00304368/step, 1.79239 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: 2880000 757.9960 2093.1318 1917.5085 108.0338 -205754.8725 17413.5830 0.0000 0.0000 34171.0696 -149293.5498 298.4244 -183464.6194 -149197.6994 298.8294 -149.1276 -114.3583 557743.8543 4.5286 4.4797 PRESSURE: 2880200 -285.814 -45.7476 93.075 -45.7483 -120.362 58.0428 93.075 58.0432 -72.0319 GPRESSURE: 2880200 -252.35 17.6696 92.166 -13.3436 -86.0514 33.3708 65.1232 51.6004 -49.9313 PRESSAVG: 2880200 -42.6406 48.3695 -11.4741 48.3695 50.8696 -12.431 -11.4742 -12.4309 4.73419 GPRESSAVG: 2880200 -42.5949 48.0685 -13.0056 49.1421 51.112 -15.944 -12.2408 -10.9079 5.17377 TIMING: 2880200 CPU: 8675.99, 0.0030312/step Wall: 8675.99, 0.0030312/step, 1.78487 hours remaining, 209.527344 MB of memory in use. ENERGY: 2880200 734.3383 2058.5682 1935.9740 116.2611 -205779.1531 17503.2236 0.0000 0.0000 34349.2647 -149081.5230 299.9807 -183430.7877 -148988.7482 298.9830 -159.4025 -129.4441 557493.4064 4.3211 4.5636 LDB: ============= START OF LOAD BALANCING ============== 8679.51 LDB: ============== END OF LOAD BALANCING =============== 8679.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8679.51 LDB: ============= START OF LOAD BALANCING ============== 8679.82 LDB: Largest compute 4772 load 0.030147 is 25.5% of average load 0.118090 LDB: Average compute 0.001737 is 1.5% of average load 0.118090 LDB: TIME 8679.82 LOAD: AVG 0.11809 MAX 0.209165 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.711 MB LDB: TIME 8679.82 LOAD: AVG 0.11809 MAX 0.209165 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.914 MB LDB: TIME 8679.82 LOAD: AVG 0.11809 MAX 0.209165 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.914 MB LDB: ============== END OF LOAD BALANCING =============== 8679.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8679.83 PRESSURE: 2880400 -138.056 -91.8305 163.168 -91.8296 -526.358 107.252 163.169 107.254 -91.9058 GPRESSURE: 2880400 -127.595 -68.3716 83.1968 -105.7 -494.558 55.796 58.3201 92.0849 -32.8919 PRESSAVG: 2880400 -2.50583 -28.1012 3.39899 -28.1012 -4.7314 91.2212 3.39887 91.2212 16.9185 GPRESSAVG: 2880400 -2.20217 -30.0184 2.84182 -26.9828 -5.61343 92.2217 4.20885 89.8093 17.4829 TIMING: 2880400 CPU: 8676.61, 0.00307496/step Wall: 8676.61, 0.00307496/step, 1.81047 hours remaining, 208.429688 MB of memory in use. ENERGY: 2880400 772.2306 2099.9764 1930.0211 123.4851 -205970.9434 17716.3316 0.0000 0.0000 34378.9419 -148949.9566 300.2399 -183328.8986 -148856.7819 300.5705 -252.1066 -218.3485 559357.6652 3.2271 3.2224 PRESSURE: 2880600 6.56629 -122.5 -27.3273 -122.5 -42.0838 -150.52 -27.3268 -150.52 -11.6148 GPRESSURE: 2880600 13.8493 -119.143 -24.942 -134.908 36.1133 -111.538 -24.2312 -148.316 -12.8902 PRESSAVG: 2880600 40.8371 -5.13491 -15.743 -5.13482 48.0983 45.2238 -15.743 45.2238 -67.7361 GPRESSAVG: 2880600 40.7897 -2.73459 -14.814 -8.05233 49.6912 45.0635 -15.8499 45.5064 -69.5347 TIMING: 2880600 CPU: 8677.21, 0.00299892/step Wall: 8677.21, 0.00299892/step, 1.76553 hours remaining, 208.632812 MB of memory in use. ENERGY: 2880600 746.1316 2120.1442 1933.7749 123.9555 -206359.9824 17969.7100 0.0000 0.0000 34397.1075 -149069.1588 300.3985 -183466.2663 -148970.2057 300.0972 -15.7108 12.3575 559301.1340 7.0664 6.9821 PRESSURE: 2880800 -50.0108 -120.121 23.7992 -120.121 217.848 -1.64276 23.7981 -1.64273 -167.621 GPRESSURE: 2880800 0.856781 -171.824 53.783 -215.888 206.756 -9.03228 64.8882 -82.2115 -111.843 PRESSAVG: 2880800 10.219 16.056 60.9678 16.056 54.0205 -18.8852 60.9678 -18.8852 -85.748 GPRESSAVG: 2880800 10.6896 15.4406 60.4339 16.3588 53.5796 -17.6373 60.5864 -18.6032 -85.4587 TIMING: 2880800 CPU: 8677.8, 0.00297973/step Wall: 8677.8, 0.00297973/step, 1.75407 hours remaining, 208.632812 MB of memory in use. ENERGY: 2880800 710.1319 2138.9974 1943.9069 121.4452 -206171.6676 17805.0687 0.0000 0.0000 34333.0630 -149119.0545 299.8392 -183452.1175 -149016.5323 299.1899 0.0723 31.9234 558550.6132 -7.1695 -7.0632 PRESSURE: 2881000 -210.412 -13.9059 -72.7759 -13.9056 153.727 6.90103 -72.7763 6.90145 -154.401 GPRESSURE: 2881000 -222.097 -26.426 -60.3481 -10.2979 246.914 20.4797 -36.1545 -11.8076 -133.999 PRESSAVG: 2881000 4.83948 1.75957 48.7536 1.75963 42.5232 -18.1851 48.7536 -18.185 -25.2144 GPRESSAVG: 2881000 4.20308 3.38264 49.7087 0.478379 43.2598 -20.1629 48.7118 -16.8964 -25.0415 TIMING: 2881000 CPU: 8678.4, 0.003003/step Wall: 8678.4, 0.003003/step, 1.7676 hours remaining, 208.835938 MB of memory in use. ENERGY: 2881000 750.8904 2113.6220 1949.0952 111.7070 -206176.5299 17782.2601 0.0000 0.0000 34385.9539 -149083.0013 300.3011 -183468.9552 -148990.8246 300.1391 -70.3623 -36.3939 559179.5133 7.3828 7.4738 PRESSURE: 2881200 205.743 -143.199 139.444 -143.2 -240.642 -80.9287 139.444 -80.9296 125.91 GPRESSURE: 2881200 232.544 -89.4294 70.3063 -172.058 -173.904 -122.665 224.045 -88.5578 126.84 PRESSAVG: 2881200 2.59164 -14.0611 78.385 -14.0611 -5.99856 8.30007 78.3851 8.30008 -31.6549 GPRESSAVG: 2881200 1.90795 -14.454 78.2033 -11.4703 -5.69731 9.85083 78.2056 6.74506 -31.1943 TIMING: 2881200 CPU: 8679.01, 0.00300715/step Wall: 8679.01, 0.00300715/step, 1.76987 hours remaining, 208.835938 MB of memory in use. ENERGY: 2881200 746.9766 2123.0576 1939.9687 108.6811 -205861.4616 17769.6504 0.0000 0.0000 34270.3075 -148902.8196 299.2911 -183173.1271 -148808.4305 299.9116 30.3369 61.8265 558792.0761 -11.6873 -11.6612 PRESSURE: 2881400 -90.3144 -153.431 57.5478 -153.432 -205.585 -134.227 57.5461 -134.229 -220.076 GPRESSURE: 2881400 -124.69 -107.446 108.029 -155.051 -216.707 -139.793 -4.26909 -113.281 -78.8977 PRESSAVG: 2881400 28.6081 5.40474 11.9735 5.40458 -66.2835 -36.1079 11.9733 -36.1079 18.5592 GPRESSAVG: 2881400 29.6293 6.56931 10.6423 4.7596 -66.0772 -39.7053 14.3244 -33.7744 16.6816 TIMING: 2881400 CPU: 8679.6, 0.00298163/step Wall: 8679.6, 0.00298163/step, 1.75469 hours remaining, 208.835938 MB of memory in use. ENERGY: 2881400 714.7572 2160.6926 1921.6130 105.7262 -205519.9881 17402.6596 0.0000 0.0000 34497.8757 -148716.6639 301.2785 -183214.5396 -148614.0214 300.3111 -171.9919 -140.0980 558328.0826 -6.3720 -6.5888 PRESSURE: 2881600 -109.835 13.4263 90.8311 13.4273 -136.965 158.225 90.8313 158.226 -156.202 GPRESSURE: 2881600 -103.493 9.3467 80.854 -52.0322 -74.326 200.184 -30.1825 90.2787 -124.233 PRESSAVG: 2881600 8.95723 -22.9013 1.30363 -22.9012 9.71912 -6.54433 1.30358 -6.54435 22.3619 GPRESSAVG: 2881600 7.97807 -24.4501 4.30536 -22.4975 10.3278 -3.57716 -0.322116 -7.49004 23.1521 TIMING: 2881600 CPU: 8680.2, 0.00298965/step Wall: 8680.2, 0.00298965/step, 1.75924 hours remaining, 208.835938 MB of memory in use. ENERGY: 2881600 776.5809 2104.7941 1959.4900 104.1372 -205457.3018 17390.5852 0.0000 0.0000 34340.5647 -148781.1496 299.9047 -183121.7144 -148678.0096 300.2318 -134.3341 -100.6839 557832.4339 13.6794 13.8193 PRESSURE: 2881800 409.905 -84.0343 81.6146 -84.0339 -3.47069 -28.9712 81.6151 -28.9713 278.169 GPRESSURE: 2881800 417.187 -131.84 81.1586 -6.87361 33.4797 -38.992 54.8138 -71.9036 332.38 PRESSAVG: 2881800 -47.0787 -44.5532 2.17754 -44.5531 21.1045 -56.1604 2.17759 -56.1602 45.7713 GPRESSAVG: 2881800 -46.9918 -44.752 1.78314 -44.975 20.1977 -55.1414 2.23716 -58.6082 46.8174 TIMING: 2881800 CPU: 8680.8, 0.00299515/step Wall: 8680.8, 0.00299515/step, 1.76231 hours remaining, 208.835938 MB of memory in use. ENERGY: 2881800 708.0029 2135.9902 1922.3216 108.5373 -206154.9091 18082.6307 0.0000 0.0000 34444.6803 -148752.7461 300.8140 -183197.4264 -148642.2187 300.2287 228.2008 261.0156 558079.0201 6.5990 6.6744 PRESSURE: 2882000 -289.488 125.077 122.79 125.077 -229.914 71.5933 122.791 71.5925 81.6341 GPRESSURE: 2882000 -204.189 98.0134 6.973 108.092 -221.88 68.559 110.367 103.316 89.1154 PRESSAVG: 2882000 5.56188 16.3925 28.3135 16.3925 -59.4714 -25.4315 28.3135 -25.4316 -9.3952 GPRESSAVG: 2882000 5.88519 17.8095 28.1252 15.6985 -59.1165 -25.6202 26.5788 -23.7805 -10.1107 TIMING: 2882000 CPU: 8681.4, 0.00301863/step Wall: 8681.4, 0.00301863/step, 1.77596 hours remaining, 208.835938 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: 2882000 675.4787 2148.4679 1964.2227 113.5185 -205317.1258 17304.9225 0.0000 0.0000 34310.0299 -148800.4856 299.6380 -183110.5155 -148697.0315 300.3021 -145.9225 -112.3179 559538.7251 -21.1016 -21.1140 PRESSURE: 2882200 -146.562 -38.1081 -0.906271 -38.1076 117.219 115.632 -0.906231 115.631 10.0594 GPRESSURE: 2882200 -72.5226 -128.265 -95.9841 18.3027 118.087 74.7233 19.1494 87.0224 33.0612 PRESSAVG: 2882200 -97.8992 -35.2398 -21.0879 -35.2397 51.1732 -8.66601 -21.0879 -8.66613 -0.347746 GPRESSAVG: 2882200 -96.7211 -38.3612 -22.7904 -34.1229 50.582 -9.27012 -20.2555 -8.35045 -1.07214 TIMING: 2882200 CPU: 8682, 0.00300516/step Wall: 8682, 0.00300516/step, 1.76787 hours remaining, 208.835938 MB of memory in use. ENERGY: 2882200 771.0148 2108.5454 1939.5742 114.9326 -205850.2480 17597.2623 0.0000 0.0000 34568.7060 -148750.2127 301.8971 -183318.9188 -148658.1411 300.6632 -6.4279 26.2084 558741.2805 -15.6912 -15.7371 PRESSURE: 2882400 6.1245 120.796 134.109 120.796 -73.72 115.28 134.11 115.28 -72.9191 GPRESSURE: 2882400 70.1175 126.672 -35.3393 110.603 -68.4173 85.3527 234.606 56.0664 -36.7541 PRESSAVG: 2882400 -21.8934 -16.773 34.5335 -16.7729 6.39188 -41.7866 34.5335 -41.7867 -10.2746 GPRESSAVG: 2882400 -22.5938 -14.8682 35.5921 -16.345 5.4944 -41.5872 34.3071 -41.7523 -9.03652 TIMING: 2882400 CPU: 8682.61, 0.00301373/step Wall: 8682.61, 0.00301373/step, 1.77274 hours remaining, 208.835938 MB of memory in use. ENERGY: 2882400 756.4983 2136.9846 1925.1779 123.7404 -205970.3449 17784.8886 0.0000 0.0000 34472.9479 -148770.1071 301.0608 -183243.0550 -148669.4414 300.5234 -46.8382 -11.6847 558169.2881 -8.5920 -8.7120 PRESSURE: 2882600 -257.952 80.8176 -99.6768 80.8182 -62.8435 78.6107 -99.678 78.6109 97.6106 GPRESSURE: 2882600 -223.013 138.81 -89.7249 -16.7487 -36.4878 68.1387 -169.934 139.41 145.222 PRESSAVG: 2882600 -7.93188 -3.01517 30.8985 -3.01518 30.2354 30.0044 30.8986 30.0045 -48.0901 GPRESSAVG: 2882600 -7.66107 -2.41647 30.6589 -3.19516 30.3513 29.3433 30.3259 28.3936 -48.2272 TIMING: 2882600 CPU: 8683.2, 0.00297701/step Wall: 8683.2, 0.00297701/step, 1.75098 hours remaining, 208.835938 MB of memory in use. ENERGY: 2882600 750.4099 2077.8220 1954.1323 112.0987 -205833.3786 17764.0090 0.0000 0.0000 34486.3251 -148688.5816 301.1777 -183174.9067 -148592.6274 300.6403 -74.3950 -38.0929 558866.1585 -8.5955 -8.5124 PRESSURE: 2882800 23.5987 -53.5883 74.4462 -53.5881 224.511 -54.2742 74.4481 -54.2753 86.4132 GPRESSURE: 2882800 19.2125 -65.2559 73.4047 -27.4667 248.766 4.53645 -27.061 -25.4265 163.232 PRESSAVG: 2882800 -63.9384 -76.053 11.243 -76.053 2.18614 -23.6608 11.243 -23.6608 29.9651 GPRESSAVG: 2882800 -63.3561 -77.1035 9.55134 -76.1241 2.70445 -22.7283 13.3625 -21.564 29.0785 TIMING: 2882800 CPU: 8683.8, 0.00299625/step Wall: 8683.8, 0.00299625/step, 1.76213 hours remaining, 208.835938 MB of memory in use. ENERGY: 2882800 742.3875 2091.8074 1953.4705 122.7736 -206085.8132 17971.8613 0.0000 0.0000 34446.1046 -148757.4083 300.8264 -183203.5129 -148656.4477 301.0066 111.5078 143.7371 557230.6335 -10.5957 -10.5244 PRESSURE: 2883000 233.372 3.03169 65.6736 3.0325 218.218 190.445 65.6743 190.446 -65.3537 GPRESSURE: 2883000 240.09 -69.7646 21.5359 -38.9606 246.588 151.001 138.798 232.57 -4.79761 PRESSAVG: 2883000 13.8001 16.9859 -12.277 16.9858 49.9089 -11.7394 -12.277 -11.7394 -53.8103 GPRESSAVG: 2883000 12.5083 18.95 -12.0469 14.2701 51.5263 -11.4476 -12.487 -10.9304 -53.6658 TIMING: 2883000 CPU: 8684.41, 0.00303682/step Wall: 8684.41, 0.00303682/step, 1.78582 hours remaining, 208.835938 MB of memory in use. ENERGY: 2883000 696.0434 2157.6828 1929.1573 115.7944 -205935.2556 17703.0944 0.0000 0.0000 34447.2256 -148886.2577 300.8362 -183333.4833 -148788.0163 300.6026 128.7456 160.6269 557750.4768 3.2996 3.4563 PRESSURE: 2883200 83.6444 -61.3773 130.24 -61.3775 -345.468 72.3558 130.239 72.3551 -66.9592 GPRESSURE: 2883200 144.945 -46.8484 158.231 -58.0796 -246.611 48.6002 31.0746 57.2532 -123.504 PRESSAVG: 2883200 -38.6321 -20.0401 61.3822 -20.04 -13.0306 26.7822 61.3822 26.782 51.4489 GPRESSAVG: 2883200 -39.9702 -21.4625 61.6175 -18.4447 -12.7681 25.883 62.3109 26.933 52.0034 TIMING: 2883200 CPU: 8685.01, 0.00301715/step Wall: 8685.01, 0.00301715/step, 1.77408 hours remaining, 208.835938 MB of memory in use. ENERGY: 2883200 759.2366 2076.4450 1942.9340 119.3214 -205872.4141 17677.9522 0.0000 0.0000 34369.9906 -148926.5343 300.1617 -183296.5249 -148822.4153 300.3763 -109.5944 -75.0570 558624.3527 -0.0713 -0.2450 PRESSURE: 2883400 -38.8586 42.1363 7.93708 42.136 -216.496 -61.0753 7.93735 -61.0741 -263.111 GPRESSURE: 2883400 19.7221 -2.52065 33.723 148.286 -234.409 -132.643 115.237 -0.338596 -201.941 PRESSAVG: 2883400 41.9667 14.4475 83.7061 14.4475 11.0782 -16.4578 83.7061 -16.4577 -45.5126 GPRESSAVG: 2883400 42.8661 14.5447 85.758 14.4296 9.27736 -14.9247 83.3821 -17.6069 -44.89 TIMING: 2883400 CPU: 8685.62, 0.00305286/step Wall: 8685.62, 0.00305286/step, 1.79491 hours remaining, 208.835938 MB of memory in use. ENERGY: 2883400 765.4003 2107.3729 1967.8507 112.9725 -205930.5132 17641.1156 0.0000 0.0000 34384.4504 -148951.3507 300.2880 -183335.8011 -148858.5282 300.2126 -172.8217 -138.8761 558643.3635 2.5108 2.4178 PRESSURE: 2883600 -264.776 -235.315 62.9745 -235.315 -89.2806 -17.8561 62.9735 -17.8571 42.0179 GPRESSURE: 2883600 -264.197 -215.948 30.1606 -231.053 -63.2332 -18.1631 102.904 -17.5462 119.603 PRESSAVG: 2883600 40.9274 2.3154 4.19394 2.31534 -2.24577 -26.2505 4.19394 -26.2506 11.9386 GPRESSAVG: 2883600 40.7124 0.827382 2.81727 0.496175 -1.16474 -26.613 3.88138 -27.214 10.8675 TIMING: 2883600 CPU: 8686.22, 0.00300792/step Wall: 8686.22, 0.00300792/step, 1.76832 hours remaining, 208.835938 MB of memory in use. ENERGY: 2883600 780.6523 2046.9571 1947.9716 103.7945 -205974.6046 17752.7154 0.0000 0.0000 34388.9017 -148953.6121 300.3268 -183342.5137 -148860.4535 300.2418 -104.0130 -69.2759 559414.6489 16.8734 16.8051 PRESSURE: 2883800 -0.680935 234.288 141.215 234.289 7.04328 -144.35 141.214 -144.349 69.2974 GPRESSURE: 2883800 -1.33613 186.216 96.3389 147.285 87.0804 -147.273 180.107 -155.118 83.0419 PRESSAVG: 2883800 -28.6224 -23.0183 32.382 -23.0184 20.0871 -37.7164 32.382 -37.7165 33.938 GPRESSAVG: 2883800 -27.6692 -23.188 30.606 -21.2144 18.8894 -37.5846 32.7104 -36.1457 34.4881 TIMING: 2883800 CPU: 8686.83, 0.00301604/step Wall: 8686.83, 0.00301604/step, 1.77293 hours remaining, 208.835938 MB of memory in use. ENERGY: 2883800 731.0629 2070.3567 1949.2962 110.2468 -206304.8917 17933.2325 0.0000 0.0000 34609.9631 -148900.7335 302.2574 -183510.6966 -148802.9820 300.7716 25.2199 56.2621 559413.7202 8.4675 8.5695 PRESSURE: 2884000 -5.73523 98.1973 40.8895 98.1987 -86.7083 41.5022 40.888 41.5015 285.704 GPRESSURE: 2884000 21.4691 149.383 21.505 97.8813 -43.88 -75.8272 21.1932 40.2143 312.533 PRESSAVG: 2884000 -34.1924 5.08471 39.5333 5.08478 42.5225 -50.9433 39.5333 -50.9434 -46.7466 GPRESSAVG: 2884000 -34.1204 6.55602 41.8355 4.65728 43.1404 -51.5229 37.4505 -53.0954 -47.4455 TIMING: 2884000 CPU: 8687.43, 0.00301073/step Wall: 8687.43, 0.00301073/step, 1.76964 hours remaining, 208.835938 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: 2884000 733.7966 2089.1317 1949.1230 105.7076 -206132.0372 17952.8877 0.0000 0.0000 34320.3402 -148981.0505 299.7281 -183301.3906 -148892.0066 300.0827 64.4203 96.7072 559417.4180 -12.8055 -12.8085 PRESSURE: 2884200 -218.18 -16.8576 38.2326 -16.8583 -129.059 -0.82166 38.2313 -0.822056 -65.3142 GPRESSURE: 2884200 -146.866 -26.1257 127.853 -61.3435 -128.776 69.535 7.13319 -48.3421 -51.4638 PRESSAVG: 2884200 -46.8379 67.341 -16.316 67.3409 34.615 -10.7483 -16.3161 -10.7483 -10.6566 GPRESSAVG: 2884200 -47.1504 67.4954 -17.9837 68.3816 35.0241 -11.5075 -13.4504 -9.06715 -10.5684 TIMING: 2884200 CPU: 8688.04, 0.00303307/step Wall: 8688.04, 0.00303307/step, 1.7826 hours remaining, 208.835938 MB of memory in use. ENERGY: 2884200 776.5507 2089.7652 1948.6699 113.7973 -206072.1245 17768.2537 0.0000 0.0000 34307.3297 -149067.7580 299.6144 -183375.0878 -148966.7204 300.2415 -137.5178 -109.0352 560183.7661 -7.6265 -7.5649 LDB: ============= START OF LOAD BALANCING ============== 8691.56 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8691.56 LDB: =============== DONE WITH MIGRATION ================ 8691.56 LDB: ============= START OF LOAD BALANCING ============== 8691.86 LDB: Largest compute 4772 load 0.029732 is 25.2% of average load 0.118104 LDB: Average compute 0.001732 is 1.5% of average load 0.118104 LDB: TIME 8691.86 LOAD: AVG 0.118104 MAX 0.208487 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.223 MB LDB: TIME 8691.86 LOAD: AVG 0.118104 MAX 0.208487 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.473 MB LDB: TIME 8691.86 LOAD: AVG 0.118104 MAX 0.208487 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.473 MB LDB: ============== END OF LOAD BALANCING =============== 8691.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8691.87 PRESSURE: 2884400 36.2408 -27.7452 93.6762 -27.7456 132.884 -62.2538 93.6766 -62.2551 165.703 GPRESSURE: 2884400 0.652754 2.65263 95.02 -11.9848 233.34 -9.40175 74.7707 -21.7123 192.99 PRESSAVG: 2884400 -19.9583 55.2544 19.0211 55.2544 16.235 -10.4625 19.0211 -10.4624 34.3765 GPRESSAVG: 2884400 -20.7539 56.7153 21.2572 53.6719 16.1206 -9.67438 15.5347 -12.3186 35.1399 TIMING: 2884400 CPU: 8688.65, 0.00307485/step Wall: 8688.65, 0.00307485/step, 1.80699 hours remaining, 209.199219 MB of memory in use. ENERGY: 2884400 766.5836 2069.9685 1931.7894 110.1675 -206469.1094 18174.9657 0.0000 0.0000 34360.5132 -149055.1215 300.0789 -183415.6348 -148970.4868 300.0175 111.6091 142.3273 559547.3206 10.2177 10.1689 PRESSURE: 2884600 -7.45015 215.955 238.502 215.957 47.6774 -18.0846 238.501 -18.0844 100.078 GPRESSURE: 2884600 0.0620371 182.894 261.502 199.436 90.8747 -36.9919 224.338 43.3809 141.499 PRESSAVG: 2884600 -17.2143 8.5118 28.2544 8.51179 -4.43825 -37.5948 28.2543 -37.5947 9.09534 GPRESSAVG: 2884600 -16.3072 7.50032 25.9754 8.82784 -4.04409 -38.12 30.0284 -37.148 7.47462 TIMING: 2884600 CPU: 8689.25, 0.00300395/step Wall: 8689.25, 0.00300395/step, 1.76516 hours remaining, 209.265625 MB of memory in use. ENERGY: 2884600 756.9936 2115.8789 1949.8890 119.5584 -206693.7422 18241.4441 0.0000 0.0000 34374.7329 -149135.2453 300.2031 -183509.9782 -149043.7125 299.6485 46.7685 77.4785 559000.3676 -4.1857 -4.2922 PRESSURE: 2884800 138.27 85.6208 91.1617 85.6206 0.0446556 -71.7427 91.1612 -71.7426 159.768 GPRESSURE: 2884800 169.416 18.7408 -20.0027 146.436 43.8673 23.0784 138.873 -41.6329 174.7 PRESSAVG: 2884800 12.522 55.0917 16.265 55.0916 -9.57103 34.3007 16.2651 34.3007 -11.5139 GPRESSAVG: 2884800 11.6595 54.081 15.3176 54.7187 -9.5548 34.1939 17.8229 34.4886 -10.2139 TIMING: 2884800 CPU: 8689.86, 0.00301784/step Wall: 8689.86, 0.00301784/step, 1.77315 hours remaining, 209.265625 MB of memory in use. ENERGY: 2884800 757.4688 2096.4942 1943.1238 107.7952 -206479.7682 17962.3424 0.0000 0.0000 34440.8027 -149171.7411 300.7801 -183612.5437 -149079.4879 300.0514 99.3610 129.3275 557646.8828 -2.8543 -2.7031 PRESSURE: 2885000 -59.7001 -18.7337 -95.5669 -18.734 230.799 116.451 -95.567 116.451 -88.563 GPRESSURE: 2885000 13.1689 12.8802 -93.7598 -98.3554 283.002 145.171 -91.6548 110.507 -112.146 PRESSAVG: 2885000 -56.5018 -12.2383 -19.1854 -12.2382 -9.81553 5.75526 -19.1853 5.75529 27.1055 GPRESSAVG: 2885000 -55.6932 -11.5106 -18.1345 -11.8572 -9.91158 3.52373 -20.7961 6.92014 26.5604 TIMING: 2885000 CPU: 8690.46, 0.0030153/step Wall: 8690.46, 0.0030153/step, 1.77149 hours remaining, 209.265625 MB of memory in use. ENERGY: 2885000 757.6327 2148.0540 1953.7928 119.6654 -206584.0216 18002.9484 0.0000 0.0000 34255.4781 -149346.4502 299.1616 -183601.9284 -149258.3697 299.5854 27.5120 61.3414 558795.1627 -13.0706 -13.0148 PRESSURE: 2885200 49.0326 -35.4899 11.7248 -35.4893 112.675 -160.357 11.7254 -160.356 20.253 GPRESSURE: 2885200 111.826 -45.8844 68.6748 -33.0698 133.774 -109.161 -59.1804 -180.978 31.0829 PRESSAVG: 2885200 -58.6659 21.0335 -34.7305 21.0336 36.9894 -21.8163 -34.7305 -21.8162 -61.7996 GPRESSAVG: 2885200 -58.6293 20.461 -35.8595 20.8834 36.4913 -19.6926 -35.9116 -21.2639 -61.0516 TIMING: 2885200 CPU: 8691.06, 0.00299612/step Wall: 8691.06, 0.00299612/step, 1.76005 hours remaining, 209.265625 MB of memory in use. ENERGY: 2885200 799.2104 2115.9366 1955.7582 110.8398 -206789.9242 18093.6293 0.0000 0.0000 34402.2232 -149312.3267 300.4432 -183714.5499 -149219.5041 299.4686 60.6535 92.2275 555206.3480 -27.8254 -27.7299 PRESSURE: 2885400 -79.7102 24.2627 -145.213 24.2623 124.586 208.234 -145.212 208.234 111.412 GPRESSURE: 2885400 -23.1525 -4.24483 -111.06 86.2705 202.137 283.667 -110.068 146.526 63.2269 PRESSAVG: 2885400 -36.0592 -34.6698 8.83341 -34.6698 -3.26401 58.2149 8.83348 58.2148 31.7709 GPRESSAVG: 2885400 -36.4489 -31.8287 8.89108 -35.8201 -1.89259 58.803 9.33724 56.863 31.0812 TIMING: 2885400 CPU: 8691.66, 0.00300931/step Wall: 8691.66, 0.00300931/step, 1.76763 hours remaining, 209.468750 MB of memory in use. ENERGY: 2885400 734.9348 2089.8615 1932.2213 106.8109 -206368.3365 17789.0730 0.0000 0.0000 34231.0620 -149484.3731 298.9484 -183715.4351 -149378.3295 298.7791 52.0957 80.7370 556383.0338 -2.5174 -2.4201 PRESSURE: 2885600 -35.2611 -146.963 -78.0458 -146.964 -116.684 75.0591 -78.0461 75.0585 12.8045 GPRESSURE: 2885600 -47.8522 -177.844 -62.8871 -126.054 -61.8321 117.442 -57.8769 32.912 56.2944 PRESSAVG: 2885600 -40.113 -41.272 14.7239 -41.272 -17.1745 3.89902 14.7238 3.8989 56.6277 GPRESSAVG: 2885600 -39.9702 -43.5872 14.5695 -38.2319 -17.3372 5.78249 14.8552 1.0766 56.8584 TIMING: 2885600 CPU: 8692.26, 0.00301153/step Wall: 8692.26, 0.00301153/step, 1.76877 hours remaining, 209.468750 MB of memory in use. ENERGY: 2885600 761.5872 2146.9834 1971.3429 114.5191 -206453.8022 17816.3431 0.0000 0.0000 34338.1573 -149304.8690 299.8837 -183643.0264 -149206.7030 299.4154 -46.3801 -17.7966 557180.8542 -0.2199 -0.1497 PRESSURE: 2885800 25.4865 115.82 60.6369 115.819 -385.096 18.8526 60.6366 18.8528 -180.355 GPRESSURE: 2885800 56.6495 77.4945 -54.996 129.925 -391.041 52.7601 97.9933 13.0833 -92.5227 PRESSAVG: 2885800 -56.0927 -5.24491 -9.58906 -5.24484 31.7531 -34.584 -9.58904 -34.584 -10.5729 GPRESSAVG: 2885800 -56.0329 -5.79304 -7.80145 -6.3533 31.3407 -35.0963 -10.5001 -34.8062 -10.2649 TIMING: 2885800 CPU: 8692.87, 0.00302574/step Wall: 8692.87, 0.00302574/step, 1.77695 hours remaining, 209.468750 MB of memory in use. ENERGY: 2885800 740.7167 2105.0690 1933.7048 104.5627 -206100.3431 17603.4593 0.0000 0.0000 34217.3201 -149395.5104 298.8284 -183612.8305 -149292.2370 298.8595 -179.9881 -142.3046 557577.2970 -11.6375 -11.6523 PRESSURE: 2886000 -153.711 -32.4134 -167.368 -32.4125 -155.085 96.1668 -167.367 96.1654 -71.4335 GPRESSURE: 2886000 -140.718 4.66754 -146.451 -37.3129 -139.075 130.808 -165.112 81.168 3.41361 PRESSAVG: 2886000 -43.966 55.7008 -17.348 55.7009 82.0304 28.2575 -17.348 28.2575 -26.0235 GPRESSAVG: 2886000 -44.1759 57.1312 -19.353 56.0374 81.0892 25.1588 -17.4996 30.9707 -25.4244 TIMING: 2886000 CPU: 8693.47, 0.003003/step Wall: 8693.47, 0.003003/step, 1.76343 hours remaining, 209.468750 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: 2886000 747.8986 2049.0806 1941.4506 98.7716 -206011.0315 17547.9245 0.0000 0.0000 34423.1616 -149202.7441 300.6260 -183625.9056 -149104.3067 298.8249 -126.7431 -92.1263 557488.8240 4.0136 3.8297 PRESSURE: 2886200 -64.4068 -192.971 41.2188 -192.97 139.777 -40.419 41.2179 -40.4187 -184.906 GPRESSURE: 2886200 -4.43159 -130.705 71.5825 -196.191 144.156 45.1011 87.0601 -71.9373 -156.363 PRESSAVG: 2886200 13.1159 71.3443 -30.3008 71.3443 19.77 -31.2071 -30.3007 -31.2072 -20.5014 GPRESSAVG: 2886200 13.6514 73.0128 -29.2194 70.2163 20.6751 -29.444 -30.048 -31.1318 -21.5745 TIMING: 2886200 CPU: 8694.07, 0.00301524/step Wall: 8694.07, 0.00301524/step, 1.77045 hours remaining, 209.468750 MB of memory in use. ENERGY: 2886200 733.7851 2119.2758 1947.3539 114.6130 -205902.8079 17593.4046 0.0000 0.0000 34265.2087 -149129.1668 299.2466 -183394.3755 -149030.5660 299.0759 -36.5122 -5.5465 557023.1008 4.1282 4.2506 PRESSURE: 2886400 -118.593 -50.5121 -56.6884 -50.5123 -187.277 50.197 -56.6878 50.1959 240.668 GPRESSURE: 2886400 -98.5401 -84.3573 1.27464 -24.1657 -133.853 41.3648 -71.9415 51.1285 271.491 PRESSAVG: 2886400 16.1887 -63.1728 -12.9154 -63.1728 31.6918 3.91771 -12.9154 3.91779 -76.6349 GPRESSAVG: 2886400 16.3062 -63.8134 -12.5122 -60.5364 31.1925 2.6524 -13.0295 3.0287 -76.3526 TIMING: 2886400 CPU: 8694.67, 0.00299588/step Wall: 8694.67, 0.00299588/step, 1.75892 hours remaining, 209.468750 MB of memory in use. ENERGY: 2886400 757.3163 2078.5042 1946.4194 120.5027 -206219.3573 17835.2729 0.0000 0.0000 34468.9304 -149012.4114 301.0257 -183481.3418 -148915.3807 299.7852 -21.7340 13.0326 557333.5355 -9.5848 -9.6180 PRESSURE: 2886600 89.512 68.7564 112.233 68.7559 209.225 136.57 112.234 136.57 -13.5556 GPRESSURE: 2886600 93.1602 27.1211 41.8988 98.5468 199.501 148.029 108.659 92.8959 79.0227 PRESSAVG: 2886600 19.9138 43.1854 22.7359 43.1855 7.45582 18.1074 22.7359 18.1075 -25.648 GPRESSAVG: 2886600 20.1067 42.0208 21.8295 41.4398 7.28257 18.6678 23.8139 18.6212 -25.433 TIMING: 2886600 CPU: 8695.28, 0.00302355/step Wall: 8695.28, 0.00302355/step, 1.77499 hours remaining, 209.468750 MB of memory in use. ENERGY: 2886600 731.1455 2136.7784 1949.2498 114.2236 -206163.7156 17918.2779 0.0000 0.0000 34267.7779 -149046.2626 299.2690 -183314.0405 -148951.2599 299.8922 95.0603 123.8947 558471.3869 0.5739 0.6521 PRESSURE: 2886800 -133.117 41.0715 24.46 41.0711 155.436 -130.947 24.458 -130.946 -59.5638 GPRESSURE: 2886800 -77.5362 15.8922 72.7416 51.9774 209.509 -130.585 42.5344 -139.011 -67.0313 PRESSAVG: 2886800 18.7811 22.4195 5.92334 22.4195 -25.2786 7.3074 5.92343 7.30746 12.7058 GPRESSAVG: 2886800 19.2271 21.6896 6.11328 21.5112 -25.0865 7.72403 5.92945 6.09619 12.0449 TIMING: 2886800 CPU: 8695.87, 0.00297609/step Wall: 8695.87, 0.00297609/step, 1.74697 hours remaining, 209.468750 MB of memory in use. ENERGY: 2886800 792.0276 2106.4386 1906.5965 128.1820 -205961.9801 17785.5299 0.0000 0.0000 34321.6950 -148921.5105 299.7399 -183243.2055 -148825.8697 299.9819 -12.4150 21.6472 557562.5620 2.0694 2.0618 PRESSURE: 2887000 190.154 27.6279 29.1629 27.6278 24.5292 -44.2558 29.1641 -44.2553 124.044 GPRESSURE: 2887000 241.996 -64.4434 50.0388 105.108 95.543 -19.5763 -26.8499 -61.2171 93.1686 PRESSAVG: 2887000 65.4441 -13.8249 -15.2677 -13.8251 -46.8729 42.8393 -15.2678 42.8393 -19.58 GPRESSAVG: 2887000 65.0229 -13.4731 -14.516 -13.6922 -47.0142 42.3045 -16.4709 44.0634 -19.2053 TIMING: 2887000 CPU: 8696.47, 0.00298457/step Wall: 8696.47, 0.00298457/step, 1.75178 hours remaining, 209.468750 MB of memory in use. ENERGY: 2887000 753.8580 2167.3983 1925.0618 124.6396 -206128.6809 18020.9769 0.0000 0.0000 34242.2153 -148894.5310 299.0458 -183136.7464 -148805.9909 300.0715 112.9090 143.5691 557667.0126 -0.3363 -0.3989 PRESSURE: 2887200 -38.876 35.3902 6.19306 35.3904 -266.875 43.2635 6.19238 43.2649 121.803 GPRESSURE: 2887200 10.0645 -3.45684 30.9041 97.7825 -273.87 -4.87551 -59.7161 21.1848 178.621 PRESSAVG: 2887200 54.8339 15.337 0.14249 15.337 24.8897 -21.1175 0.142501 -21.1174 -34.1566 GPRESSAVG: 2887200 54.5351 15.7901 1.72988 14.8397 25.7181 -20.8817 0.0976352 -19.6721 -34.6304 TIMING: 2887200 CPU: 8697.06, 0.00298179/step Wall: 8697.06, 0.00298179/step, 1.74998 hours remaining, 209.468750 MB of memory in use. ENERGY: 2887200 754.9091 2108.7957 1944.4543 118.3490 -206104.0220 17868.2980 0.0000 0.0000 34453.8177 -148855.3982 300.8938 -183309.2159 -148763.6067 300.5372 -61.3158 -28.3948 558034.0628 15.1890 15.2076 PRESSURE: 2887400 37.2068 122.506 98.2871 122.505 -248.754 -7.06109 98.2858 -7.05997 -516.269 GPRESSURE: 2887400 64.2161 255.43 69.7554 103.892 -231.08 65.0898 107.857 -30.0297 -462.744 PRESSAVG: 2887400 37.87 23.0983 4.92353 23.0983 -52.0001 5.48492 4.92352 5.48501 24.9874 GPRESSAVG: 2887400 38.8356 22.964 2.61463 24.2145 -52.8691 4.135 5.23871 6.10319 24.5918 TIMING: 2887400 CPU: 8697.66, 0.00298154/step Wall: 8697.66, 0.00298154/step, 1.74967 hours remaining, 209.468750 MB of memory in use. ENERGY: 2887400 772.3262 2110.7387 1937.0904 111.4592 -205716.0419 17396.9751 0.0000 0.0000 34416.4464 -148971.0059 300.5674 -183387.4523 -148875.3251 300.7666 -242.6056 -209.8693 557274.0986 3.6191 3.5195 PRESSURE: 2887600 191.126 106.791 23.2048 106.791 54.2536 -53.7185 23.2039 -53.7184 47.6374 GPRESSURE: 2887600 279.425 102.927 61.0878 54.4591 67.1858 -110.487 20.0157 1.17009 54.1814 PRESSAVG: 2887600 18.022 49.5202 44.8964 49.5201 -28.5851 17.0088 44.8964 17.0087 6.26916 GPRESSAVG: 2887600 17.3505 50.8284 44.0325 47.8368 -28.3049 17.4535 48.8209 17.1317 6.46427 TIMING: 2887600 CPU: 8698.25, 0.00295438/step Wall: 8698.25, 0.00295438/step, 1.73356 hours remaining, 209.468750 MB of memory in use. ENERGY: 2887600 770.0378 2095.4299 1934.7590 113.2417 -205771.4946 17648.4285 0.0000 0.0000 34191.3470 -149018.2507 298.6015 -183209.5977 -148918.9409 299.9372 97.6722 133.5974 556394.6958 -1.4313 -1.4967 PRESSURE: 2887800 -206.265 23.7865 31.6407 23.7864 -89.6014 154.989 31.641 154.988 -27.3691 GPRESSURE: 2887800 -132.243 67.6815 48.6547 45.0923 32.4935 160.761 72.1582 122.534 -134.641 PRESSAVG: 2887800 -25.2557 -8.53969 -35.7515 -8.53967 60.276 2.41767 -35.7515 2.41768 -48.1898 GPRESSAVG: 2887800 -25.8191 -9.01277 -34.6797 -7.66034 59.7081 4.69801 -36.0923 -0.545016 -47.6286 TIMING: 2887800 CPU: 8698.85, 0.00299735/step Wall: 8698.85, 0.00299735/step, 1.75861 hours remaining, 209.468750 MB of memory in use. ENERGY: 2887800 749.7921 2176.8740 1930.7070 118.2422 -205720.0023 17452.3097 0.0000 0.0000 34221.9464 -149070.1308 298.8688 -183292.0772 -148978.5938 299.1242 -107.7450 -78.1302 557864.1508 -4.3899 -4.5799 PRESSURE: 2888000 -176.411 -8.08733 -43.7286 -8.08813 -232.263 -77.2319 -43.7278 -77.2305 -347.771 GPRESSURE: 2888000 -147.236 49.38 -5.855 -24.7232 -221.742 -100.789 -24.1094 -17.7499 -293.96 PRESSAVG: 2888000 -34.0153 28.7382 -43.0854 28.7383 3.64025 24.6524 -43.0853 24.6523 -4.51111 GPRESSAVG: 2888000 -34.1533 29.0145 -43.5026 29.7173 3.79758 22.3611 -44.2125 26.2174 -4.32859 TIMING: 2888000 CPU: 8699.45, 0.00301266/step Wall: 8699.45, 0.00301266/step, 1.76743 hours remaining, 209.468750 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: 2888000 786.6576 2119.5740 1961.2442 114.2893 -205757.3926 17311.8414 0.0000 0.0000 34422.0486 -149041.7374 300.6163 -183463.7861 -148937.4950 299.9510 -252.1485 -220.9792 556739.6475 -11.6287 -11.5614 PRESSURE: 2888200 -307.389 -11.4947 -27.5131 -11.4948 -369.834 86.7393 -27.5135 86.7384 -143.353 GPRESSURE: 2888200 -305.454 17.0694 -89.7014 -43.8329 -337.024 102.154 17.9968 71.5814 -76.7673 PRESSAVG: 2888200 -33.857 -33.3001 -71.4692 -33.3001 -10.1986 5.63057 -71.4692 5.63049 41.1812 GPRESSAVG: 2888200 -32.4782 -35.1623 -71.2654 -33.7187 -11.614 5.58584 -73.4037 5.40016 40.8174 TIMING: 2888200 CPU: 8700.06, 0.00302512/step Wall: 8700.06, 0.00302512/step, 1.77457 hours remaining, 209.468750 MB of memory in use. ENERGY: 2888200 817.4856 2106.3124 1930.1680 108.3430 -205726.7425 17603.9001 0.0000 0.0000 34260.7319 -148899.8014 299.2075 -183160.5333 -148804.4924 300.9443 -273.5251 -239.7486 558734.6822 -0.9581 -1.0916 LDB: ============= START OF LOAD BALANCING ============== 8703.58 LDB: ============== END OF LOAD BALANCING =============== 8703.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8703.58 LDB: ============= START OF LOAD BALANCING ============== 8703.88 LDB: Largest compute 4772 load 0.029920 is 25.3% of average load 0.118102 LDB: Average compute 0.001733 is 1.5% of average load 0.118102 LDB: TIME 8703.88 LOAD: AVG 0.118102 MAX 0.206338 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.484 MB LDB: TIME 8703.88 LOAD: AVG 0.118102 MAX 0.206338 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.688 MB LDB: TIME 8703.88 LOAD: AVG 0.118102 MAX 0.206338 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.688 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8703.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8703.89 PRESSURE: 2888400 -170.468 43.255 4.80431 43.2552 -308.665 -62.3963 4.80504 -62.3966 -105.113 GPRESSURE: 2888400 -130.917 5.70654 38.7849 -25.909 -278.655 -77.9187 -1.02266 -50.7449 -92.148 PRESSAVG: 2888400 -17.3534 -21.2592 12.1769 -21.2593 -26.4181 31.0786 12.177 31.0785 60.5372 GPRESSAVG: 2888400 -17.8601 -20.4835 13.0772 -21.8816 -25.5865 33.0948 13.019 30.5318 60.4842 TIMING: 2888400 CPU: 8700.67, 0.00306232/step Wall: 8700.67, 0.00306232/step, 1.79622 hours remaining, 209.968750 MB of memory in use. ENERGY: 2888400 771.8363 2100.0658 1930.6759 102.2526 -205888.0082 17591.9328 0.0000 0.0000 34585.9710 -148805.2739 302.0479 -183391.2449 -148702.6639 300.8017 -194.7489 -167.2400 560660.3952 5.5886 5.6792 PRESSURE: 2888600 -187.215 -31.6521 -235.285 -31.6525 -70.7446 69.6449 -235.285 69.644 -29.5852 GPRESSURE: 2888600 -173.712 39.2334 -271.253 -42.53 -68.1544 118.58 -123.376 -28.2954 42.8445 PRESSAVG: 2888600 -52.1624 -1.24454 -23.5381 -1.2446 -12.8837 49.2031 -23.5382 49.2031 74.0372 GPRESSAVG: 2888600 -52.9121 0.415431 -23.169 -3.43681 -12.7812 48.1825 -21.5227 49.3444 74.4964 TIMING: 2888600 CPU: 8701.27, 0.00300003/step Wall: 8701.27, 0.00300003/step, 1.75952 hours remaining, 210.035156 MB of memory in use. ENERGY: 2888600 722.7845 2123.1681 1960.1110 107.0004 -205922.9492 17773.0207 0.0000 0.0000 34365.8158 -148871.0486 300.1252 -183236.8645 -148774.2513 300.5347 -95.8484 -66.3406 558537.9556 2.9970 2.9344 PRESSURE: 2888800 59.7355 -133.058 62.1871 -133.058 -96.9393 19.4498 62.1866 19.4529 48.5133 GPRESSURE: 2888800 79.5055 -248.209 65.0343 -6.57598 -31.9214 -34.7988 94.0146 41.9325 46.5299 PRESSAVG: 2888800 -52.1973 31.8851 -38.3477 31.8851 52.3422 49.1636 -38.3477 49.1637 23.5251 GPRESSAVG: 2888800 -51.278 30.3978 -39.0651 34.2522 52.4206 51.0474 -39.4319 50.9416 22.0946 TIMING: 2888800 CPU: 8701.87, 0.00297722/step Wall: 8701.87, 0.00297722/step, 1.74597 hours remaining, 210.035156 MB of memory in use. ENERGY: 2888800 764.9443 2044.6951 1963.5287 118.0367 -205723.6130 17832.7921 0.0000 0.0000 34254.9799 -148744.6363 299.1573 -182999.6162 -148642.5309 299.9536 3.7698 31.3713 559208.0333 7.8900 7.7457 PRESSURE: 2889000 82.3395 -41.3521 48.1359 -41.3521 -55.4485 145.448 48.1361 145.449 56.6177 GPRESSURE: 2889000 95.756 -57.525 0.198443 10.2559 -25.5808 92.0906 129.292 152.372 126.893 PRESSAVG: 2889000 32.7069 0.143189 -70.1098 0.143266 -35.9869 16.5851 -70.1098 16.5852 13.2199 GPRESSAVG: 2889000 32.1979 -1.0943 -69.5945 2.15315 -35.6217 13.1871 -70.4257 16.577 13.8718 TIMING: 2889000 CPU: 8702.46, 0.00296794/step Wall: 8702.46, 0.00296794/step, 1.74037 hours remaining, 210.035156 MB of memory in use. ENERGY: 2889000 741.8727 2109.5194 1944.8264 112.1677 -205750.6763 17747.3876 0.0000 0.0000 34399.6655 -148695.2372 300.4208 -183094.9027 -148600.2611 299.7009 27.8362 65.6895 558983.2166 3.3133 3.4827 PRESSURE: 2889200 -41.4702 -17.8286 88.039 -17.8284 21.0565 11.026 88.0391 11.0234 -77.8303 GPRESSURE: 2889200 -29.9334 -38.0368 106.712 79.5534 62.0387 23.8656 110.91 43.9161 -36.0486 PRESSAVG: 2889200 19.2509 -2.83428 -8.90047 -2.83434 -3.51875 49.118 -8.90045 49.118 -10.7664 GPRESSAVG: 2889200 20.5926 -2.22018 -10.6644 -4.29857 -3.72848 50.7428 -7.33728 48.1227 -11.5783 TIMING: 2889200 CPU: 8703.05, 0.00295833/step Wall: 8703.05, 0.00295833/step, 1.73457 hours remaining, 210.035156 MB of memory in use. ENERGY: 2889200 707.7585 2076.0165 1959.3600 112.1561 -205708.4892 17800.9680 0.0000 0.0000 34271.9771 -148780.2529 299.3057 -183052.2300 -148677.5359 300.1303 -32.7480 -1.3144 559976.9499 1.6553 1.7619 PRESSURE: 2889400 -31.6635 -37.1318 25.391 -37.1329 -73.1792 40.0467 25.3902 40.0464 88.8148 GPRESSURE: 2889400 -22.9572 -86.5037 40.6828 31.8068 -17.6679 40.9024 61.9465 -2.5809 124.182 PRESSAVG: 2889400 3.79314 9.01203 -20.5591 9.01205 -3.71613 37.2511 -20.5591 37.2512 31.9551 GPRESSAVG: 2889400 3.49496 8.72597 -20.9149 8.61026 -4.89827 36.5244 -18.4592 38.6877 33.7453 TIMING: 2889400 CPU: 8703.64, 0.00294713/step Wall: 8703.64, 0.00294713/step, 1.72784 hours remaining, 210.035156 MB of memory in use. ENERGY: 2889400 712.1812 2063.4057 1954.4722 105.7591 -205565.1868 17549.4074 0.0000 0.0000 34390.9680 -148788.9931 300.3449 -183179.9611 -148691.4177 300.3564 -5.3426 27.8525 557965.2716 10.6774 10.7806 PRESSURE: 2889600 -89.2102 114.234 144.677 114.234 -233.011 119.327 144.675 119.327 3.74216 GPRESSURE: 2889600 -56.9508 154.834 103.282 18.0499 -209.368 148.568 85.3456 78.7893 41.0342 PRESSAVG: 2889600 75.593 12.9287 35.7647 12.9286 -60.2809 10.6537 35.7646 10.6539 -22.2417 GPRESSAVG: 2889600 75.101 12.9118 36.0504 13.0328 -59.4957 11.7551 33.2177 9.42262 -22.5351 TIMING: 2889600 CPU: 8704.24, 0.00297798/step Wall: 8704.24, 0.00297798/step, 1.74576 hours remaining, 210.035156 MB of memory in use. ENERGY: 2889600 762.1171 2140.3629 1969.6718 105.7529 -205444.2828 17553.5374 0.0000 0.0000 34107.2634 -148805.5774 297.8672 -182912.8408 -148710.0934 300.4696 -106.1598 -75.0948 559402.9902 -2.3099 -2.3099 PRESSURE: 2889800 -88.3564 32.988 17.4002 32.9872 -97.1901 106.39 17.4 106.391 -177.452 GPRESSURE: 2889800 -21.9699 57.7569 -18.3873 94.5012 -71.1472 110.1 38.1589 107.163 -168.032 PRESSAVG: 2889800 33.464 73.8649 -31.6953 73.865 -53.6304 -46.8711 -31.6954 -46.8711 35.8768 GPRESSAVG: 2889800 34.2829 73.6741 -31.3152 74.7064 -53.4653 -45.8738 -31.2488 -48.9667 35.6685 TIMING: 2889800 CPU: 8704.83, 0.00296198/step Wall: 8704.83, 0.00296198/step, 1.73621 hours remaining, 210.035156 MB of memory in use. ENERGY: 2889800 715.5099 2106.2428 1951.9394 109.9053 -205893.1475 17635.4296 0.0000 0.0000 34422.5110 -148951.6095 300.6204 -183374.1205 -148855.0141 299.4859 -120.9994 -87.0496 560234.4676 5.2368 5.4954 PRESSURE: 2890000 -49.6388 13.5213 -38.445 13.5213 -73.7113 -11.7809 -38.4445 -11.781 -93.8595 GPRESSURE: 2890000 -10.9632 -3.2967 -54.174 104.882 -23.9975 106.098 -53.6586 -82.8672 -76.4167 PRESSAVG: 2890000 76.4789 32.5548 15.0069 32.5547 -43.6005 25.3826 15.0069 25.3826 -18.2288 GPRESSAVG: 2890000 77.428 33.3356 16.6414 32.8381 -43.3865 25.7556 14.0577 26.7443 -18.5193 TIMING: 2890000 CPU: 8705.43, 0.00302165/step Wall: 8705.43, 0.00302165/step, 1.77102 hours remaining, 210.035156 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: 2890000 716.2743 2126.4735 1935.4683 117.0415 -206012.3943 17680.2636 0.0000 0.0000 34371.1063 -149065.7668 300.1714 -183436.8730 -148968.8156 299.8669 -72.4032 -37.1258 559005.1550 4.8832 5.1741 PRESSURE: 2890200 163.436 153.049 -67.5765 153.049 -104.698 118.028 -67.5788 118.027 -304.034 GPRESSURE: 2890200 162.562 144.922 -3.66586 126.47 -79.9854 172.197 -44.2575 114.109 -223.982 PRESSAVG: 2890200 51.8614 36.174 -7.24918 36.174 -4.8067 17.6605 -7.2491 17.6606 -42.2577 GPRESSAVG: 2890200 51.6329 36.7206 -8.00537 34.8899 -5.05764 16.356 -6.49064 16.9102 -42.3756 TIMING: 2890200 CPU: 8706.04, 0.00304346/step Wall: 8706.04, 0.00304346/step, 1.78363 hours remaining, 210.035156 MB of memory in use. ENERGY: 2890200 737.2728 2142.2828 1934.4970 124.2933 -206432.0504 17891.7056 0.0000 0.0000 34323.5120 -149278.4869 299.7558 -183601.9989 -149186.4003 299.2193 -81.7652 -47.1352 557486.6221 1.5990 1.3999 PRESSURE: 2890400 -163.999 -22.2769 50.9183 -22.2768 -81.6313 -95.6555 50.9179 -95.6555 -77.689 GPRESSURE: 2890400 -62.2505 -77.0433 134.028 -45.3232 -99.711 -64.0072 22.1931 -162.734 -36.5916 PRESSAVG: 2890400 46.8054 -39.288 -3.38285 -39.288 -25.8382 30.0409 -3.38282 30.0409 -32.3899 GPRESSAVG: 2890400 46.3933 -42.3871 -5.14242 -37.299 -25.5517 29.7102 -4.24508 31.4827 -31.6793 TIMING: 2890400 CPU: 8706.65, 0.0030342/step Wall: 8706.65, 0.0030342/step, 1.77804 hours remaining, 210.035156 MB of memory in use. ENERGY: 2890400 741.2183 2053.6197 1949.9463 112.2557 -206052.6378 17708.8914 0.0000 0.0000 34205.0633 -149281.6432 298.7213 -183486.7064 -149179.4457 299.4568 -107.7730 -66.1844 558171.3582 -3.8075 -3.6125 PRESSURE: 2890600 -126.791 130.585 132.157 130.584 -254.723 -60.0041 132.157 -60.0049 -57.1109 GPRESSURE: 2890600 -100.931 82.7948 180.326 179.293 -193.471 -110.124 97.566 -29.7849 -44.1756 PRESSAVG: 2890600 -33.8761 -15.2106 40.6888 -15.2105 19.8183 -3.56129 40.6888 -3.56126 17.4574 GPRESSAVG: 2890600 -33.3107 -12.7788 42.7461 -18.7349 19.5867 -3.09461 40.1178 -3.2455 16.98 TIMING: 2890600 CPU: 8707.25, 0.00300028/step Wall: 8707.25, 0.00300028/step, 1.758 hours remaining, 210.035156 MB of memory in use. ENERGY: 2890600 771.4712 2038.1286 1945.3893 109.1229 -206003.4912 17603.3000 0.0000 0.0000 34202.7071 -149333.3721 298.7007 -183536.0793 -149234.4147 298.9981 -146.2084 -112.8591 557903.7596 1.1332 1.0853 PRESSURE: 2890800 -80.1802 10.3181 -65.3053 10.3184 -327.522 101.475 -65.3073 101.476 -202.356 GPRESSURE: 2890800 -87.8024 -8.83615 -87.4266 92.8529 -302.075 101.957 -106.893 80.3503 -130.586 PRESSAVG: 2890800 28.3688 23.8279 71.5126 23.8279 -21.9437 11.3099 71.5125 11.3099 -30.2936 GPRESSAVG: 2890800 27.5407 22.1602 71.602 25.8809 -21.4995 11.5405 71.3894 11.3249 -29.9986 TIMING: 2890800 CPU: 8707.84, 0.00297828/step Wall: 8707.84, 0.00297828/step, 1.74494 hours remaining, 210.035156 MB of memory in use. ENERGY: 2890800 757.2463 2038.4325 1979.8765 122.2566 -205737.8004 17497.5054 0.0000 0.0000 34201.5046 -149140.9786 298.6902 -183342.4832 -149040.0372 299.2393 -203.3529 -173.4877 559381.6531 -7.9562 -7.9858 PRESSURE: 2891000 -170.537 58.5381 -33.9481 58.5392 -238.761 88.9434 -33.9488 88.9439 -201.642 GPRESSURE: 2891000 -168.934 18.7442 -69.9591 107.788 -182.65 53.2953 -47.3417 79.0544 -156.623 PRESSAVG: 2891000 12.2109 -24.2673 24.3031 -24.2673 -67.296 18.2031 24.3031 18.2032 2.52461 GPRESSAVG: 2891000 11.5552 -24.6159 23.6583 -22.6095 -67.4167 18.5982 26.131 17.4583 3.24483 TIMING: 2891000 CPU: 8708.45, 0.00301502/step Wall: 8708.45, 0.00301502/step, 1.7663 hours remaining, 210.035156 MB of memory in use. ENERGY: 2891000 784.4703 2052.0325 1933.7100 101.1021 -206455.1428 17910.6626 0.0000 0.0000 34409.7252 -149263.4401 300.5087 -183673.1654 -149164.2469 299.1857 -203.6467 -169.4023 559099.4934 -17.5202 -17.5389 PRESSURE: 2891200 -307.025 3.01713 60.949 3.01726 -336.796 79.9632 60.9492 79.9651 48.684 GPRESSURE: 2891200 -270.793 -0.950717 33.4086 38.3158 -324.292 34.8894 116.351 91.8322 97.9886 PRESSAVG: 2891200 4.88505 14.6414 9.28207 14.6414 -36.2092 35.9353 9.28197 35.9352 27.0206 GPRESSAVG: 2891200 6.13587 16.0765 9.52743 13.0077 -36.624 36.6451 10.1831 34.9543 26.4671 TIMING: 2891200 CPU: 8709.05, 0.00300792/step Wall: 8709.05, 0.00300792/step, 1.76198 hours remaining, 210.035156 MB of memory in use. ENERGY: 2891200 740.4872 2021.9845 1930.1137 108.4271 -205851.4727 17451.3731 0.0000 0.0000 34327.6887 -149271.3983 299.7922 -183599.0870 -149176.8062 299.8457 -198.3790 -165.6987 557026.5340 -1.4345 -1.3403 PRESSURE: 2891400 19.4818 297.093 55.5952 297.093 -128.23 -19.2768 55.5952 -19.2761 -74.6513 GPRESSURE: 2891400 33.161 234.46 168.351 290.138 -61.6732 -14.6354 41.1138 -43.1697 -62.5729 PRESSAVG: 2891400 -27.5936 1.03904 26.5576 1.03915 -3.76877 24.9692 26.5576 24.9694 33.7627 GPRESSAVG: 2891400 -27.9687 3.45884 26.1412 0.860215 -4.1195 23.827 26.2626 25.5048 34.2427 TIMING: 2891400 CPU: 8709.65, 0.0029977/step Wall: 8709.65, 0.0029977/step, 1.75582 hours remaining, 210.035156 MB of memory in use. ENERGY: 2891400 752.2905 2089.8615 1911.8438 115.3610 -206073.2668 17631.3165 0.0000 0.0000 34320.6824 -149251.9111 299.7311 -183572.5935 -149156.3061 299.1030 -61.1330 -30.3617 556228.5178 0.8001 0.7181 PRESSURE: 2891600 77.6063 -158.178 -125.926 -158.179 -31.6621 -2.66234 -125.926 -2.66268 229.63 GPRESSURE: 2891600 112.655 -60.2985 -78.4635 -200.661 10.9205 30.2535 -157.24 -91.9556 252.947 PRESSAVG: 2891600 2.83382 -11.5621 16.8124 -11.5621 31.254 23.044 16.8124 23.0441 -46.6055 GPRESSAVG: 2891600 3.09173 -12.8706 16.2206 -10.7341 32.9668 23.9242 18.0836 23.2619 -47.9496 TIMING: 2891600 CPU: 8710.24, 0.00297928/step Wall: 8710.24, 0.00297928/step, 1.74487 hours remaining, 210.035156 MB of memory in use. ENERGY: 2891600 718.7218 2015.9986 1915.9788 107.9179 -206030.2985 17690.3096 0.0000 0.0000 34476.1343 -149105.2375 301.0887 -183581.3718 -149006.1221 299.5920 91.8581 125.5076 556093.0969 -4.1726 -3.9637 PRESSURE: 2891800 -198.365 -134.807 126.842 -134.807 69.5753 -166.994 126.842 -166.996 355.422 GPRESSURE: 2891800 -164.133 -198.516 126.442 -180.677 121.744 -98.3172 106.853 -158.705 361.756 PRESSAVG: 2891800 -80.3992 -44.4762 17.9115 -44.4763 36.2257 1.40984 17.9115 1.40985 47.404 GPRESSAVG: 2891800 -79.7053 -45.1661 18.3511 -46.4181 35.2892 2.13065 17.7098 -0.801851 48.0444 TIMING: 2891800 CPU: 8710.84, 0.0029607/step Wall: 8710.84, 0.0029607/step, 1.73382 hours remaining, 210.035156 MB of memory in use. ENERGY: 2891800 760.0478 2063.7224 1938.4093 109.7392 -206256.9491 17967.2697 0.0000 0.0000 34235.5380 -149182.2227 298.9875 -183417.7607 -149084.1225 299.2468 75.5439 106.4557 558017.1421 1.0769 1.2094 PRESSURE: 2892000 -45.2103 132.97 -53.1183 132.97 95.4772 58.0979 -53.118 58.0981 238.898 GPRESSURE: 2892000 -38.4948 149.014 -74.5141 40.706 103.671 100.278 -80.8483 102.899 327.786 PRESSAVG: 2892000 -11.3516 -24.4698 -32.5521 -24.4698 50.4607 -12.5788 -32.5521 -12.5788 -1.96438 GPRESSAVG: 2892000 -10.9025 -23.7197 -29.6714 -24.0301 50.3533 -14.819 -35.46 -9.76282 -2.81791 TIMING: 2892000 CPU: 8711.43, 0.00296265/step Wall: 8711.43, 0.00296265/step, 1.7348 hours remaining, 210.035156 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: 2892000 741.7817 2103.5469 1903.7674 97.3803 -206619.6988 18087.0238 0.0000 0.0000 34342.7399 -149343.4587 299.9237 -183686.1986 -149245.9068 298.9317 96.3884 130.9875 556898.8055 12.3816 12.2109 PRESSURE: 2892200 39.904 -234.18 70.8809 -234.18 43.9718 -64.2861 70.8808 -64.2853 -8.48389 GPRESSURE: 2892200 80.3764 -184.479 41.6474 -211.106 33.4323 -114.286 44.4985 -138.646 62.5551 PRESSAVG: 2892200 11.4583 22.6606 55.7055 22.6605 -23.1224 54.0999 55.7056 54.0999 48.1728 GPRESSAVG: 2892200 10.9814 20.4856 51.9261 24.5694 -23.2828 53.205 57.2924 54.5414 49.6196 TIMING: 2892200 CPU: 8712.02, 0.00296522/step Wall: 8712.02, 0.00296522/step, 1.73614 hours remaining, 210.035156 MB of memory in use. ENERGY: 2892200 745.3310 2052.4032 1945.4475 109.7037 -206382.1746 17892.8443 0.0000 0.0000 34384.2140 -149252.2310 300.2859 -183636.4450 -149150.7896 298.9674 25.1306 58.7879 558747.6362 12.1695 12.4394 LDB: ============= START OF LOAD BALANCING ============== 8715.53 LDB: ============== END OF LOAD BALANCING =============== 8715.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8715.54 LDB: ============= START OF LOAD BALANCING ============== 8715.83 LDB: Largest compute 4772 load 0.029247 is 24.8% of average load 0.118139 LDB: Average compute 0.001727 is 1.5% of average load 0.118139 LDB: TIME 8715.84 LOAD: AVG 0.118139 MAX 0.204276 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.562 MB LDB: TIME 8715.84 LOAD: AVG 0.118139 MAX 0.204276 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.766 MB LDB: TIME 8715.84 LOAD: AVG 0.118139 MAX 0.204276 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.766 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8715.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8715.84 PRESSURE: 2892400 124.008 48.5857 -40.439 48.5875 134.447 65.403 -40.4382 65.4042 -13.1001 GPRESSURE: 2892400 151.836 66.5731 -11.3055 14.9165 152.791 53.8135 -45.3492 133.432 38.1198 PRESSAVG: 2892400 -19.5732 24.7543 44.4511 24.7544 6.80705 57.9682 44.4511 57.9682 24.0749 GPRESSAVG: 2892400 -18.4622 25.6045 44.6223 23.959 7.01752 60.0957 44.6648 56.813 23.2175 TIMING: 2892400 CPU: 8712.63, 0.00302044/step Wall: 8712.63, 0.00302044/step, 1.7683 hours remaining, 209.164062 MB of memory in use. ENERGY: 2892400 709.0196 2085.5462 1942.5185 118.7702 -206278.4370 17899.4243 0.0000 0.0000 34266.6956 -149256.4625 299.2596 -183523.1581 -149165.3618 299.5679 81.7850 114.2489 557293.1560 3.7696 3.9243 PRESSURE: 2892600 224.421 -49.6799 63.9182 -49.6787 80.5121 -86.8697 63.9186 -86.8687 235.456 GPRESSURE: 2892600 231.208 -87.7215 55.4782 11.5409 137.751 -35.5508 65.4765 -160.171 259.089 PRESSAVG: 2892600 42.5527 23.1084 14.7944 23.1084 -31.356 16.3109 14.7944 16.3111 -15.474 GPRESSAVG: 2892600 43.0697 25.1104 16.0354 22.9813 -31.3671 17.1442 14.7471 15.4103 -15.8691 TIMING: 2892600 CPU: 8713.22, 0.00297692/step Wall: 8713.22, 0.00297692/step, 1.74265 hours remaining, 209.628906 MB of memory in use. ENERGY: 2892600 737.7757 2109.6257 1923.0956 112.7988 -205773.0989 17803.7168 0.0000 0.0000 34027.6227 -149058.4636 297.1717 -183086.0863 -148958.7740 299.3751 180.1296 209.3497 557890.5922 -1.4258 -1.3888 PRESSURE: 2892800 -95.5002 -59.1522 -60.5631 -59.1517 -306.421 -2.86426 -60.5622 -2.86292 28.1367 GPRESSURE: 2892800 -69.002 -6.57285 -35.9117 -153.816 -295.263 47.9875 -117.776 44.0524 71.8243 PRESSAVG: 2892800 -16.5371 68.2479 -6.56386 68.2479 -41.9423 2.12389 -6.56373 2.12378 61 GPRESSAVG: 2892800 -16.9997 66.8782 -5.81666 69.4884 -41.7068 1.88848 -6.99216 2.90145 61.2709 TIMING: 2892800 CPU: 8713.82, 0.0029715/step Wall: 8713.82, 0.0029715/step, 1.73932 hours remaining, 209.628906 MB of memory in use. ENERGY: 2892800 764.0153 2048.8067 1961.1803 106.0112 -205916.6302 17679.7553 0.0000 0.0000 34456.3177 -148900.5439 300.9156 -183356.8616 -148804.4115 300.3759 -124.5947 -97.4803 559074.7039 0.8402 0.8548 PRESSURE: 2893000 -231.116 -43.5507 38.6583 -43.5501 -66.3657 -126.772 38.6576 -126.774 505.501 GPRESSURE: 2893000 -183.865 -52.7207 130.597 -72.9055 -41.1921 -163.9 -8.68661 -122.247 528.599 PRESSAVG: 2893000 -36.662 -24.3635 2.36485 -24.3636 -45.0768 -23.3204 2.36492 -23.3203 94.387 GPRESSAVG: 2893000 -37.4474 -23.8785 2.6041 -25.2649 -44.7819 -23.7692 2.85832 -24.0559 94.9582 TIMING: 2893000 CPU: 8714.41, 0.00297689/step Wall: 8714.41, 0.00297689/step, 1.74231 hours remaining, 209.628906 MB of memory in use. ENERGY: 2893000 761.8817 2091.8610 1922.8319 114.9760 -206364.7338 18055.4987 0.0000 0.0000 34315.5293 -149102.1553 299.6861 -183417.6846 -149005.3473 299.8433 69.3395 101.1806 557943.8787 4.2161 4.2430 PRESSURE: 2893200 37.8476 153.129 51.7368 153.129 254.303 -84.6699 51.7369 -84.6711 -82.4736 GPRESSURE: 2893200 105.098 196.144 -0.0530937 191.364 305.976 -68.7452 -38.5536 16.8212 -97.2839 PRESSAVG: 2893200 -46.5205 -9.5088 19.832 -9.50879 10.0187 -71.147 19.8321 -71.1471 59.4841 GPRESSAVG: 2893200 -46.3747 -10.4408 19.6783 -8.17786 9.87822 -72.3706 19.4233 -69.9333 58.7821 TIMING: 2893200 CPU: 8715.01, 0.00299729/step Wall: 8715.01, 0.00299729/step, 1.75408 hours remaining, 209.628906 MB of memory in use. ENERGY: 2893200 702.5481 2063.3526 1934.3224 101.2181 -205940.8153 17773.1202 0.0000 0.0000 34181.7568 -149184.4972 298.5178 -183366.2540 -149089.7176 298.8022 69.8924 104.5966 557285.5830 7.6608 7.4285 PRESSURE: 2893400 -183.392 51.7196 -144.15 51.7186 208.53 305.21 -144.151 305.211 -88.0789 GPRESSURE: 2893400 -122.159 -20.5911 -138.874 116.583 229.387 231.714 -160.57 262.665 -73.4745 PRESSAVG: 2893400 -74.2026 27.3717 1.36996 27.3718 -4.15242 -4.96068 1.36998 -4.96064 17.0803 GPRESSAVG: 2893400 -74.6114 27.409 1.35487 24.9745 -3.52178 -5.29688 1.92392 -7.44269 17.1025 TIMING: 2893400 CPU: 8715.61, 0.0029938/step Wall: 8715.61, 0.0029938/step, 1.75187 hours remaining, 209.628906 MB of memory in use. ENERGY: 2893400 699.2110 2046.3687 1930.2157 113.1461 -206265.8285 17845.7583 0.0000 0.0000 34351.8891 -149279.2395 300.0036 -183631.1286 -149177.9633 299.3176 -20.9804 11.2509 557773.5307 -20.4249 -20.3436 PRESSURE: 2893600 8.09577 18.4108 45.5394 18.4104 -70.906 -53.5935 45.5386 -53.5943 5.96186 GPRESSURE: 2893600 -1.9408 18.2346 132.047 11.715 -36.2237 -41.9908 64.4145 -71.1243 84.9103 PRESSAVG: 2893600 -59.4388 18.5699 13.6063 18.5699 115.249 42.8594 13.6064 42.8594 -53.1774 GPRESSAVG: 2893600 -59.3339 19.3284 13.8529 21.2332 114.777 45.2996 14.0817 42.9892 -52.9292 TIMING: 2893600 CPU: 8716.21, 0.00301288/step Wall: 8716.21, 0.00301288/step, 1.76287 hours remaining, 209.628906 MB of memory in use. ENERGY: 2893600 790.3890 2084.5659 1937.9919 113.8966 -206131.9333 17666.4257 0.0000 0.0000 34156.0573 -149382.6069 298.2933 -183538.6642 -149290.2097 299.6027 -18.9495 15.5819 556659.1774 0.8775 0.8379 PRESSURE: 2893800 38.7013 60.1106 126.19 60.1118 -280.232 -65.8704 126.19 -65.8726 -190.775 GPRESSURE: 2893800 42.4345 -30.8432 110.833 46.8729 -240.616 -15.7346 135.943 -13.8415 -138.937 PRESSAVG: 2893800 7.18224 17.6702 74.7362 17.6702 -48.9308 -25.7912 74.7362 -25.7912 73.1764 GPRESSAVG: 2893800 7.07717 17.8549 73.9919 15.6518 -49.0582 -26.2444 72.876 -24.6787 73.9805 TIMING: 2893800 CPU: 8716.82, 0.00302112/step Wall: 8716.82, 0.00302112/step, 1.76753 hours remaining, 209.628906 MB of memory in use. ENERGY: 2893800 740.7463 2120.6624 1931.4872 105.7486 -206218.6590 17669.9275 0.0000 0.0000 34097.4720 -149552.6151 297.7817 -183650.0871 -149456.4683 298.0551 -144.1018 -112.3726 556797.2196 10.4759 10.6665 PRESSURE: 2894000 -75.4413 11.2205 286.61 11.2198 14.9446 -100.866 286.61 -100.865 144.65 GPRESSURE: 2894000 37.4439 31.4429 272.649 37.5884 32.0625 -184.134 303.963 -40.0337 112.801 PRESSAVG: 2894000 -9.72432 63.9528 103.481 63.9527 23.002 -42.7646 103.481 -42.7646 5.87895 GPRESSAVG: 2894000 -9.02807 64.3686 103.152 65.1163 22.6702 -45.4701 105.621 -40.5557 5.4773 TIMING: 2894000 CPU: 8717.42, 0.00300016/step Wall: 8717.42, 0.00300016/step, 1.7551 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: 2894000 738.0351 2143.6368 1927.3537 119.2835 -206241.5376 17807.0166 0.0000 0.0000 34249.8660 -149256.3459 299.1126 -183506.2119 -149163.7761 299.0666 28.0510 60.7692 556593.4208 6.3855 6.3731 PRESSURE: 2894200 211.361 86.4201 81.825 86.4211 96.2867 154.125 81.824 154.124 100.208 GPRESSURE: 2894200 237.896 99.3694 138.875 88.657 149.433 29.0995 0.285092 250.563 115.118 PRESSAVG: 2894200 60.6345 -15.7828 57.61 -15.7828 -2.11244 -6.11019 57.61 -6.11007 -73.3436 GPRESSAVG: 2894200 60.7658 -16.9542 57.4791 -16.385 -1.76086 -3.67901 55.7119 -5.82168 -73.9368 TIMING: 2894200 CPU: 8718.02, 0.00301735/step Wall: 8718.02, 0.00301735/step, 1.76498 hours remaining, 209.628906 MB of memory in use. ENERGY: 2894200 772.5040 2141.3358 1918.7525 100.7123 -206475.7908 17959.0430 0.0000 0.0000 34147.3757 -149436.0674 298.2175 -183583.4432 -149344.7532 299.0286 135.9519 167.4823 555895.4547 -4.9405 -4.9773 PRESSURE: 2894400 4.50101 -161.497 147.716 -161.496 226.909 -130.44 147.717 -130.44 -298.646 GPRESSURE: 2894400 63.1681 -110.918 141.983 -181.707 267.844 -141.532 138.543 -140.692 -300.844 PRESSAVG: 2894400 8.44992 -3.788 35.215 -3.78803 6.97874 21.1415 35.215 21.1413 -40.7666 GPRESSAVG: 2894400 7.93709 -4.24719 35.7844 -2.69525 7.58913 20.9581 37.4148 19.3547 -40.7098 TIMING: 2894400 CPU: 8718.63, 0.00304238/step Wall: 8718.63, 0.00304238/step, 1.77946 hours remaining, 209.628906 MB of memory in use. ENERGY: 2894400 718.8772 2120.3550 1941.7220 126.3451 -205990.0257 17681.5686 0.0000 0.0000 34015.5817 -149385.5760 297.0665 -183401.1577 -149283.8476 298.9400 -22.4119 10.0558 557937.8429 -8.4460 -8.3945 PRESSURE: 2894600 -159.861 -137.518 -167.813 -137.516 75.3332 -20.7253 -167.814 -20.7243 -73.4491 GPRESSURE: 2894600 -213.346 -105.892 -201.824 -127.588 117.953 -48.7748 -273.497 -48.9746 32.6159 PRESSAVG: 2894600 21.3115 -63.0479 28.3307 -63.0479 54.5067 18.5688 28.3308 18.5689 -25.6323 GPRESSAVG: 2894600 20.9215 -61.4814 26.613 -65.2818 54.8943 16.9615 23.8319 20.495 -25.3104 TIMING: 2894600 CPU: 8719.23, 0.00300026/step Wall: 8719.23, 0.00300026/step, 1.75465 hours remaining, 209.628906 MB of memory in use. ENERGY: 2894600 719.4573 2040.6825 1951.0197 104.3520 -206063.3227 17686.5498 0.0000 0.0000 34195.2428 -149366.0185 298.6356 -183561.2613 -149269.9169 298.5104 -52.6591 -20.9260 558128.4943 16.7286 16.8351 PRESSURE: 2894800 24.8916 -23.6644 89.3256 -23.6642 86.0563 -81.7702 89.3251 -81.7699 334.259 GPRESSURE: 2894800 53.2513 -60.7058 84.9163 -20.8778 83.5149 -98.4565 44.73 -66.2989 407.615 PRESSAVG: 2894800 35.5953 -2.93699 45.5753 -2.937 -36.7125 49.7056 45.5753 49.7056 37.3012 GPRESSAVG: 2894800 36.2367 -4.23444 46.8435 -0.377974 -38.1414 49.8563 47.8982 47.6873 37.8688 TIMING: 2894800 CPU: 8719.83, 0.00302646/step Wall: 8719.83, 0.00302646/step, 1.76981 hours remaining, 209.628906 MB of memory in use. ENERGY: 2894800 735.1349 2072.5271 1949.2714 113.4212 -206780.2019 18167.8876 0.0000 0.0000 34223.8929 -149518.0668 298.8858 -183741.9597 -149424.6965 298.5328 148.4022 181.4605 557468.0389 12.0613 11.9881 PRESSURE: 2895000 -151.869 -162.917 172.862 -162.917 -283.027 -132.957 172.862 -132.958 0.757714 GPRESSURE: 2895000 -145.541 -210.307 197.157 -75.2082 -185.373 -149.992 166.012 -135.296 0.420675 PRESSAVG: 2895000 -31.1433 -5.81783 41.8731 -5.81791 -65.782 6.09761 41.873 6.09756 54.6048 GPRESSAVG: 2895000 -32.4458 -6.40171 41.5333 -6.60983 -64.7944 8.30085 42.2072 4.9169 54.9635 TIMING: 2895000 CPU: 8720.43, 0.00299781/step Wall: 8720.43, 0.00299781/step, 1.75288 hours remaining, 209.628906 MB of memory in use. ENERGY: 2895000 763.9350 2053.4402 1926.9999 130.6638 -206559.2053 17856.7372 0.0000 0.0000 34331.6081 -149495.8211 299.8265 -183827.4292 -149394.4595 298.8797 -144.7126 -110.1644 558538.6912 -14.1068 -14.0922 PRESSURE: 2895200 259.199 -15.9998 -15.4425 -15.9983 -13.3252 -99.6371 -15.4431 -99.6378 61.0129 GPRESSURE: 2895200 263.585 -35.3388 -67.7414 -61.1 12.17 -68.3977 -30.9122 -180.421 107.67 PRESSAVG: 2895200 25.5151 -34.4345 21.7587 -34.4346 -42.7411 -40.9502 21.7587 -40.9503 29.0838 GPRESSAVG: 2895200 26.5131 -33.8468 22.6655 -34.8045 -42.3179 -41.7539 21.9108 -39.4822 27.4456 TIMING: 2895200 CPU: 8721.03, 0.00298841/step Wall: 8721.03, 0.00298841/step, 1.74722 hours remaining, 209.628906 MB of memory in use. ENERGY: 2895200 732.9098 2061.5162 1945.0640 107.3000 -206558.8772 18017.7607 0.0000 0.0000 34093.7086 -149600.6179 297.7488 -183694.3265 -149505.2657 298.6343 102.2956 127.8083 557149.8863 3.9526 3.8803 PRESSURE: 2895400 173.897 -81.2588 -117.776 -81.2582 229.963 36.5178 -117.775 36.5192 40.0582 GPRESSURE: 2895400 230.466 -72.5336 -99.8122 -168.652 275.801 67.1886 -152.257 16.5439 32.2801 PRESSAVG: 2895400 59.1014 1.73464 -24.2679 1.73463 -13.9288 27.8434 -24.2679 27.8434 -22.6872 GPRESSAVG: 2895400 58.551 1.87617 -25.2966 1.68677 -13.973 27.3068 -26.2112 26.9546 -22.4045 TIMING: 2895400 CPU: 8721.63, 0.00299392/step Wall: 8721.63, 0.00299392/step, 1.75028 hours remaining, 209.628906 MB of memory in use. ENERGY: 2895400 731.3059 2083.3487 1945.7669 108.8721 -206764.2791 18209.0989 0.0000 0.0000 34108.9634 -149576.9233 297.8821 -183685.8867 -149484.0890 298.4719 147.9728 179.5158 557483.9879 7.4951 7.3911 PRESSURE: 2895600 286.631 -101.025 179.994 -101.025 76.4301 95.3294 179.995 95.3296 -394.786 GPRESSURE: 2895600 268.377 -3.82882 191.693 -175.94 154.154 -35.2108 211.435 217.245 -356.226 PRESSAVG: 2895600 6.11139 -51.6918 68.8668 -51.6918 -2.81595 12.8259 68.8667 12.826 58.1856 GPRESSAVG: 2895600 6.77405 -53.9288 70.0379 -50.6633 -3.98907 12.5731 71.0432 14.4876 58.2053 TIMING: 2895600 CPU: 8722.23, 0.00298471/step Wall: 8722.23, 0.00298471/step, 1.74473 hours remaining, 209.628906 MB of memory in use. ENERGY: 2895600 736.0938 2032.3228 1948.2577 109.8291 -206601.0067 17823.8095 0.0000 0.0000 34146.8647 -149803.8291 298.2131 -183950.6938 -149698.5161 298.2182 -10.5748 22.1017 557232.7679 20.4937 20.3301 PRESSURE: 2895800 50.7756 -32.2588 29.827 -32.259 -93.0424 -178.495 29.8271 -178.494 18.7989 GPRESSURE: 2895800 55.5547 -42.861 -29.5606 26.428 -88.6434 -155.349 28.1107 -151.371 103.359 PRESSAVG: 2895800 13.678 10.4933 35.4725 10.4933 33.5392 1.71327 35.4726 1.71342 -80.5001 GPRESSAVG: 2895800 13.5743 13.2352 34.5006 8.73005 33.7766 3.73544 33.4335 3.58494 -80.523 TIMING: 2895800 CPU: 8722.82, 0.00298444/step Wall: 8722.82, 0.00298444/step, 1.7444 hours remaining, 209.628906 MB of memory in use. ENERGY: 2895800 722.8203 2096.9849 1929.5621 115.9176 -206728.0762 17760.0320 0.0000 0.0000 34252.7568 -149850.0025 299.1378 -184102.7593 -149752.1276 297.4375 -7.8227 23.4234 555780.3356 -11.0943 -11.0573 PRESSURE: 2896000 24.4008 59.7862 97.5643 59.7862 -18.2658 68.5573 97.5645 68.5568 343.71 GPRESSURE: 2896000 58.3618 -5.20194 129.801 133.484 -14.9735 106.466 1.87712 36.6574 401.996 PRESSAVG: 2896000 43.8008 43.7491 14.3245 43.7491 -39.3381 82.4033 14.3245 82.4032 2.92274 GPRESSAVG: 2896000 43.3724 42.6117 14.4373 44.1814 -38.2708 79.056 13.749 80.6661 2.13862 TIMING: 2896000 CPU: 8723.43, 0.00301635/step Wall: 8723.43, 0.00301635/step, 1.76289 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: 2896000 712.9008 2071.4063 1956.0836 102.3459 -206886.1581 18011.9167 0.0000 0.0000 34260.6814 -149770.8234 299.2071 -184031.5048 -149676.0250 297.9118 116.6150 148.4613 555913.9113 2.4618 2.4134 PRESSURE: 2896200 -95.4118 -93.383 -35.1268 -93.384 71.5123 -11.9424 -35.1262 -11.9414 -63.6035 GPRESSURE: 2896200 -2.69157 -56.9057 0.701504 -107.642 63.7255 -23.3185 -67.7364 37.635 -54.5953 PRESSAVG: 2896200 12.0026 2.70012 14.1657 2.70006 -72.6941 3.52172 14.1657 3.52183 42.3791 GPRESSAVG: 2896200 12.1259 3.44603 12.3561 4.1273 -73.1648 6.37175 17.0834 3.72392 43.3321 TIMING: 2896200 CPU: 8724.04, 0.00304489/step Wall: 8724.04, 0.00304489/step, 1.7794 hours remaining, 209.628906 MB of memory in use. ENERGY: 2896200 728.9225 2086.8291 1942.9158 107.3874 -206541.5359 17901.2018 0.0000 0.0000 34013.0628 -149761.2164 297.0445 -183774.2792 -149665.1580 298.0970 -29.1677 2.1462 558501.4137 -6.1041 -5.9023 LDB: ============= START OF LOAD BALANCING ============== 8727.56 LDB: ============== END OF LOAD BALANCING =============== 8727.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8727.56 LDB: ============= START OF LOAD BALANCING ============== 8727.86 LDB: Largest compute 4772 load 0.028954 is 24.5% of average load 0.118056 LDB: Average compute 0.001733 is 1.5% of average load 0.118056 LDB: TIME 8727.86 LOAD: AVG 0.118056 MAX 0.207621 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.18 MB LDB: TIME 8727.86 LOAD: AVG 0.118056 MAX 0.207621 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.309 MB LDB: TIME 8727.87 LOAD: AVG 0.118056 MAX 0.207621 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.309 MB LDB: ============== END OF LOAD BALANCING =============== 8727.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8727.87 PRESSURE: 2896400 221.473 -43.3987 121.479 -43.3986 296.223 48.138 121.48 48.139 286.47 GPRESSURE: 2896400 260.41 -99.883 90.4587 29.9037 343.024 -55.5868 100.644 67.0918 290.337 PRESSAVG: 2896400 -69.0095 -13.9524 -24.5739 -13.9523 37.0357 -54.0917 -24.5739 -54.0915 31.3646 GPRESSAVG: 2896400 -68.3772 -14.4542 -22.9885 -16.2723 36.1615 -54.9092 -25.1262 -54.8167 31.6576 TIMING: 2896400 CPU: 8724.65, 0.00309669/step Wall: 8724.65, 0.00309669/step, 1.8095 hours remaining, 209.132812 MB of memory in use. ENERGY: 2896400 698.6559 2065.8913 1954.4937 117.9319 -206668.2800 18056.3652 0.0000 0.0000 34160.8457 -149614.0962 298.3352 -183774.9419 -149521.6968 298.4173 268.0552 297.9234 557379.4468 -0.2031 -0.1860 PRESSURE: 2896600 135.283 92.6084 58.0222 92.608 27.4261 -93.8945 58.0228 -93.8968 -102.485 GPRESSURE: 2896600 234.721 68.0574 31.0547 69.9953 -35.3646 -29.1921 31.449 -122.919 -39.0005 PRESSAVG: 2896600 23.1794 -10.8998 30.8641 -10.8998 15.3192 -23.9211 30.8641 -23.921 18.162 GPRESSAVG: 2896600 22.3283 -10.5513 29.3407 -10.0858 16.6274 -23.1341 29.2065 -25.6071 16.9501 TIMING: 2896600 CPU: 8725.25, 0.00297259/step Wall: 8725.25, 0.00297259/step, 1.73682 hours remaining, 209.203125 MB of memory in use. ENERGY: 2896600 715.8006 2121.6901 1925.6810 128.4770 -206423.1122 17905.0727 0.0000 0.0000 33961.8486 -149664.5421 296.5973 -183626.3907 -149565.1786 297.6839 20.0747 53.4519 556303.9560 18.8869 18.6353 PRESSURE: 2896800 -132.287 165.03 37.8925 165.03 -36.0765 260.718 37.8926 260.719 106.138 GPRESSURE: 2896800 -133.314 222.684 123.281 192.722 65.5586 222.431 -9.38387 298.927 111.754 PRESSAVG: 2896800 9.83653 -13.4467 45.4311 -13.4468 -33.8748 78.1542 45.4312 78.1541 57.1344 GPRESSAVG: 2896800 10.1152 -12.5568 46.6231 -11.9394 -34.7086 77.1277 45.0617 80.5262 57.5442 TIMING: 2896800 CPU: 8725.85, 0.00298067/step Wall: 8725.85, 0.00298067/step, 1.74137 hours remaining, 209.203125 MB of memory in use. ENERGY: 2896800 725.1357 2076.7318 1949.9001 112.4832 -206611.4319 17903.5107 0.0000 0.0000 34211.0640 -149632.6063 298.7737 -183843.6703 -149525.2535 298.9619 -20.7420 14.6664 556319.8418 11.0320 10.9836 PRESSURE: 2897000 -237.955 -2.07122 -36.6984 -2.07213 -75.7407 -149.873 -36.6977 -149.873 -304.939 GPRESSURE: 2897000 -243.962 40.1972 9.60933 -69.0464 -52.313 -186.543 -4.99078 -120.249 -227.854 PRESSAVG: 2897000 -38.34 -7.90562 13.4261 -7.9056 52.9726 18.3734 13.4262 18.3733 -8.13523 GPRESSAVG: 2897000 -39.3091 -6.83694 14.2287 -11.1392 54.5121 18.8229 13.4188 16.2086 -8.29848 TIMING: 2897000 CPU: 8726.44, 0.00299737/step Wall: 8726.44, 0.00299737/step, 1.75096 hours remaining, 209.203125 MB of memory in use. ENERGY: 2897000 711.8844 2014.0620 1934.8215 107.0435 -205853.4814 17453.0474 0.0000 0.0000 34126.7001 -149505.9225 298.0370 -183632.6226 -149407.3606 298.0296 -206.2118 -174.7099 558018.7399 2.1658 2.3015 PRESSURE: 2897200 -123.463 -115.308 15.0075 -115.308 -91.3731 -30.1027 15.0067 -30.1025 -66.7205 GPRESSURE: 2897200 -126.805 -115.581 -24.0176 -139.85 -19.9272 1.70495 -17.9698 1.80265 -30.0814 PRESSAVG: 2897200 -40.7671 62.0387 26.3326 62.0387 101.685 58.5675 26.3326 58.5677 -73.1185 GPRESSAVG: 2897200 -40.2606 59.6316 24.59 64.8915 99.5533 58.2243 26.52 58.6502 -71.697 TIMING: 2897200 CPU: 8727.05, 0.00300949/step Wall: 8727.05, 0.00300949/step, 1.75788 hours remaining, 209.203125 MB of memory in use. ENERGY: 2897200 733.1783 2033.9200 1956.6032 108.3624 -206075.9654 17741.1975 0.0000 0.0000 34176.7810 -149325.9231 298.4743 -183502.7040 -149230.6478 298.4805 -93.8521 -58.9378 558517.7011 -4.0669 -4.1348 PRESSURE: 2897400 58.784 47.6781 -182.025 47.6792 -206.949 -89.3044 -182.027 -89.3066 89.8515 GPRESSURE: 2897400 80.3262 35.8568 -133.578 66.6801 -128.705 -91.448 -190.591 -113.632 71.4738 PRESSAVG: 2897400 -46.8259 -1.28076 13.8286 -1.28074 50.2294 -24.9277 13.8286 -24.9277 -28.885 GPRESSAVG: 2897400 -48.6458 -1.87599 14.2079 -0.845237 51.5465 -25.0838 15.2385 -24.8729 -29.2173 TIMING: 2897400 CPU: 8727.65, 0.00300131/step Wall: 8727.65, 0.00300131/step, 1.75293 hours remaining, 209.203125 MB of memory in use. ENERGY: 2897400 782.8675 2087.8200 1949.1580 115.6840 -206253.4402 17763.2408 0.0000 0.0000 34178.5647 -149376.1052 298.4899 -183554.6699 -149274.6774 298.9309 -19.4379 7.6983 557277.7881 -8.4938 -8.7722 PRESSURE: 2897600 -137.043 73.2108 -109.419 73.2106 -5.42588 -208.08 -109.418 -208.081 170.434 GPRESSURE: 2897600 -183.945 66.4441 -50.7442 68.9108 44.2382 -273.37 -111.161 -152.704 267.1 PRESSAVG: 2897600 12.4167 34.2916 11.2566 34.2916 22.0851 25.8774 11.2566 25.8775 1.72062 GPRESSAVG: 2897600 14.376 33.7043 12.7559 33.8642 19.7655 26.5628 10.0169 26.8853 1.68438 TIMING: 2897600 CPU: 8728.25, 0.00300439/step Wall: 8728.25, 0.00300439/step, 1.75456 hours remaining, 209.203125 MB of memory in use. ENERGY: 2897600 711.1154 2038.5308 1955.2170 116.8996 -206510.2752 17907.8210 0.0000 0.0000 34319.0299 -149461.6614 299.7166 -183780.6913 -149375.4222 298.1028 9.3216 42.4646 556617.6118 12.0741 11.9420 PRESSURE: 2897800 -163.033 86.7288 -86.2044 86.7292 7.37475 43.6962 -86.2047 43.6947 316.713 GPRESSURE: 2897800 -84.3306 65.0456 -45.7238 110.593 -24.5768 47.4255 -74.7983 -83.6214 365.321 PRESSAVG: 2897800 -34.618 13.3316 -23.4708 13.3316 -53.7247 9.44215 -23.4707 9.44212 63.4283 GPRESSAVG: 2897800 -35.598 15.4947 -23.233 13.3841 -52.0263 9.8401 -21.9422 8.86426 62.8859 TIMING: 2897800 CPU: 8728.84, 0.00296222/step Wall: 8728.84, 0.00296222/step, 1.72977 hours remaining, 209.203125 MB of memory in use. ENERGY: 2897800 714.3412 2052.8753 1939.9481 105.7132 -206422.8584 17946.9221 0.0000 0.0000 34122.6693 -149540.3891 298.0018 -183663.0584 -149447.1211 298.3704 53.6849 85.4713 556812.5311 -8.3048 -8.2462 PRESSURE: 2898000 114.303 -167.178 -132.524 -167.177 42.346 -21.1062 -132.523 -21.1064 70.6943 GPRESSURE: 2898000 77.6733 -85.7269 -113.579 -141.909 161.748 -35.5284 -110.994 -54.5896 87.701 PRESSAVG: 2898000 -23.6796 -52.0638 25.2275 -52.0638 -25.4315 27.4169 25.2274 27.4168 62.2819 GPRESSAVG: 2898000 -23.0756 -51.0844 24.3755 -53.8606 -25.1337 26.237 24.5964 27.0615 61.0915 TIMING: 2898000 CPU: 8729.44, 0.00300131/step Wall: 8729.44, 0.00300131/step, 1.75243 hours remaining, 209.203125 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: 2898000 715.6406 2076.1434 1910.3996 107.9615 -206285.5916 17901.0540 0.0000 0.0000 34210.2029 -149364.1895 298.7662 -183574.3924 -149278.0353 298.0544 75.7811 109.0408 555655.2246 4.3903 4.2941 PRESSURE: 2898200 -47.893 53.4493 195.191 53.4496 -153.696 25.4205 195.192 25.4195 -134.378 GPRESSURE: 2898200 -49.2882 142.214 117.658 0.648163 -81.0198 46.1961 255.722 65.5512 -121.254 PRESSAVG: 2898200 -7.73044 -5.40383 49.4776 -5.40372 18.8165 13.3794 49.4776 13.3793 41.5187 GPRESSAVG: 2898200 -7.66633 -6.30269 50.1885 -4.9634 17.6569 13.2719 50.1372 14.4663 42.7135 TIMING: 2898200 CPU: 8730.04, 0.00299944/step Wall: 8730.04, 0.00299944/step, 1.75117 hours remaining, 209.203125 MB of memory in use. ENERGY: 2898200 745.9536 2086.7213 1953.8011 124.4001 -206051.2381 17619.3886 0.0000 0.0000 34125.6423 -149395.3313 298.0277 -183520.9736 -149296.3849 298.8412 -111.9888 -83.8538 556722.6396 17.5349 17.5680 PRESSURE: 2898400 114.603 77.7061 61.2775 77.7058 -145.393 161.273 61.2782 161.274 -196.707 GPRESSURE: 2898400 151.331 76.0401 136.717 126.396 -104.963 140.073 30.4741 145.733 -171.166 PRESSAVG: 2898400 85.2257 -69.1664 32.74 -69.1665 -30.2891 35.6719 32.74 35.6718 -56.7555 GPRESSAVG: 2898400 84.1896 -67.9233 32.0688 -68.4134 -30.2576 36.122 30.1335 34.734 -56.1016 TIMING: 2898400 CPU: 8730.64, 0.00300424/step Wall: 8730.64, 0.00300424/step, 1.75381 hours remaining, 209.203125 MB of memory in use. ENERGY: 2898400 745.9021 2134.7007 1921.7773 122.7397 -206970.1253 18046.8485 0.0000 0.0000 34281.2286 -149716.9285 299.3865 -183998.1570 -149619.5902 298.2513 -75.8323 -41.5996 556348.6404 -0.6063 -0.7232 PRESSURE: 2898600 9.23037 -105.017 -47.2527 -105.014 226.145 -138.609 -47.2523 -138.61 350.692 GPRESSURE: 2898600 -2.59506 -94.775 -106.295 -74.9449 274.858 -48.0798 6.79258 -104.554 413.942 PRESSAVG: 2898600 -10.049 1.21693 -21.7006 1.21692 25.1367 -26.3403 -21.7006 -26.3401 -18.2748 GPRESSAVG: 2898600 -10.1895 1.02336 -20.3959 -0.0258765 26.3325 -26.9096 -22.4751 -26.0024 -19.1876 TIMING: 2898600 CPU: 8731.25, 0.00303222/step Wall: 8731.25, 0.00303222/step, 1.76997 hours remaining, 209.203125 MB of memory in use. ENERGY: 2898600 728.5527 2122.7083 1943.1491 112.2996 -207013.5198 18200.4372 0.0000 0.0000 34138.3782 -149767.9947 298.1389 -183906.3729 -149663.6027 297.9740 195.3558 228.7348 557590.4257 -1.0624 -1.0149 PRESSURE: 2898800 -87.0403 122.58 113.875 122.58 -23.1691 9.10064 113.875 9.10144 -435.416 GPRESSURE: 2898800 -72.8049 170.632 128.615 77.702 -23.7491 15.1375 125.714 -45.5554 -356.411 PRESSAVG: 2898800 -21.1145 34.1956 69.6319 34.1955 90.7284 41.975 69.6321 41.975 -28.6932 GPRESSAVG: 2898800 -20.583 33.3554 69.136 34.9967 89.4366 42.6183 70.7127 41.552 -28.174 TIMING: 2898800 CPU: 8731.85, 0.00301587/step Wall: 8731.85, 0.00301587/step, 1.76026 hours remaining, 209.203125 MB of memory in use. ENERGY: 2898800 727.1109 2076.2781 1956.9512 112.5959 -206083.4349 17383.7651 0.0000 0.0000 34127.2789 -149699.4548 298.0420 -183826.7337 -149607.8866 298.9513 -181.8751 -150.9884 556562.5446 13.6402 13.5599 PRESSURE: 2899000 -50.4229 -50.1571 -161.832 -50.1556 109.922 -193.445 -161.833 -193.447 141.142 GPRESSURE: 2899000 -10.8182 -26.6508 -95.7725 -56.2439 149.841 -109.481 -124.663 -205.996 124.662 PRESSAVG: 2899000 20.3606 21.8266 -8.61192 21.8265 17.3112 -26.2996 -8.61196 -26.2996 -43.3235 GPRESSAVG: 2899000 20.7085 23.2753 -9.31671 21.6292 18.1229 -26.7992 -8.28625 -27.8339 -44.5522 TIMING: 2899000 CPU: 8732.45, 0.00299723/step Wall: 8732.45, 0.00299723/step, 1.74922 hours remaining, 209.203125 MB of memory in use. ENERGY: 2899000 736.9361 2092.7504 1920.2842 95.9354 -206931.3446 17963.4268 0.0000 0.0000 34298.9917 -149823.0199 299.5416 -184122.0116 -149724.5722 298.3710 66.8803 87.8948 555718.1347 -1.8839 -1.9069 PRESSURE: 2899200 -40.2156 -71.2949 -19.9933 -71.2954 -50.2307 97.5626 -19.9937 97.5614 -383.485 GPRESSURE: 2899200 -4.04087 -103.513 -102.731 17.1255 -11.6358 114.753 6.10022 21.7837 -343.781 PRESSAVG: 2899200 44.9079 -42.8144 5.8767 -42.8142 7.17997 -8.20012 5.87676 -8.20007 -4.40685 GPRESSAVG: 2899200 43.7835 -43.6149 5.81543 -40.5313 6.36107 -8.3402 6.53725 -6.03864 -2.91192 TIMING: 2899200 CPU: 8733.05, 0.00298381/step Wall: 8733.05, 0.00298381/step, 1.74122 hours remaining, 209.203125 MB of memory in use. ENERGY: 2899200 763.4353 2067.6535 1921.7368 112.1789 -206662.2220 17838.1315 0.0000 0.0000 34209.3637 -149749.7223 298.7589 -183959.0861 -149656.1877 298.3098 -157.9772 -119.8192 556407.7917 15.8937 15.7442 PRESSURE: 2899400 -195.296 -77.3713 -27.4219 -77.3723 -197.463 -71.0712 -27.4208 -71.0711 -114.541 GPRESSURE: 2899400 -170.895 -22.6041 -24.7643 -39.0014 -198.11 -19.9591 -9.40428 -139.939 -41.5114 PRESSAVG: 2899400 -10.9259 -16.4126 -37.2611 -16.4126 -82.2291 47.0329 -37.261 47.0329 94.8457 GPRESSAVG: 2899400 -10.9136 -15.8884 -37.0076 -18.3091 -81.5113 47.8781 -39.0518 46.5574 93.4961 TIMING: 2899400 CPU: 8733.65, 0.00301074/step Wall: 8733.65, 0.00301074/step, 1.75677 hours remaining, 209.203125 MB of memory in use. ENERGY: 2899400 785.3439 2077.6786 1919.8791 126.0248 -206593.1924 17681.9961 0.0000 0.0000 34187.2796 -149814.9903 298.5660 -184002.2698 -149718.1127 298.4631 -169.1000 -136.8388 556938.6655 0.5636 0.3571 PRESSURE: 2899600 -220.615 -9.27896 -8.95373 -9.27902 34.7612 116.635 -8.95335 116.635 -13.0405 GPRESSURE: 2899600 -153.057 -15.0829 2.38838 43.1271 110.551 119.911 -67.1872 74.2846 -52.2862 PRESSAVG: 2899600 34.2512 20.6993 -38.2708 20.6992 -12.371 29.8653 -38.2708 29.8652 -13.9488 GPRESSAVG: 2899600 33.7496 19.7735 -38.2602 21.8497 -13.2807 29.3236 -36.3676 31.694 -13.4506 TIMING: 2899600 CPU: 8734.25, 0.00299922/step Wall: 8734.25, 0.00299922/step, 1.74988 hours remaining, 209.203125 MB of memory in use. ENERGY: 2899600 725.8914 2034.3580 1940.1448 115.5467 -206506.5986 17773.9635 0.0000 0.0000 34007.1007 -149909.5933 296.9925 -183916.6940 -149805.2048 297.5503 -66.2981 -31.5974 556306.0664 2.6438 2.3394 PRESSURE: 2899800 -175.551 -64.6165 75.3999 -64.6158 154.683 -68.2782 75.4004 -68.2793 -170.579 GPRESSURE: 2899800 -122.758 -104.408 90.4129 -18.7202 170.661 -26.8201 100.372 -40.4771 -136.352 PRESSAVG: 2899800 2.50952 33.8773 -8.53096 33.8773 5.18272 43.4748 -8.53105 43.4748 -11.8373 GPRESSAVG: 2899800 3.84167 33.9852 -9.74766 33.5 5.76527 44.0994 -9.04864 43.0011 -12.8819 TIMING: 2899800 CPU: 8734.85, 0.00298351/step Wall: 8734.85, 0.00298351/step, 1.74054 hours remaining, 209.203125 MB of memory in use. ENERGY: 2899800 741.1435 2069.0402 1934.4307 117.5824 -206693.4166 17810.3303 0.0000 0.0000 34292.3132 -149728.5763 299.4833 -184020.8896 -149631.3974 297.6683 -63.8155 -29.4828 557915.9506 -1.3817 -1.0916 PRESSURE: 2900000 -276.457 -100.724 31.6654 -100.723 -102.295 57.7627 31.6654 57.7635 -73.1775 GPRESSURE: 2900000 -217.193 -176.058 46.1695 14.6555 -110.489 78.4778 -24.1498 36.938 -35.535 PRESSAVG: 2900000 -46.3044 -34.0954 -4.01674 -34.0954 94.2752 6.20896 -4.01659 6.20911 11.7572 GPRESSAVG: 2900000 -46.0685 -34.4689 -3.63449 -32.9353 93.2879 6.29672 -4.82901 4.89125 12.4209 TIMING: 2900000 CPU: 8735.45, 0.00301665/step Wall: 8735.45, 0.00301665/step, 1.75971 hours remaining, 209.203125 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: 2900000 727.5593 2056.3497 1937.4113 109.1718 -206121.1703 17623.6302 0.0000 0.0000 34004.8689 -149662.1791 296.9730 -183667.0480 -149565.0283 297.7109 -150.6435 -121.0724 558326.5762 19.9093 19.8801 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2900000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 2900000 WRITING COORDINATES TO RESTART FILE AT STEP 2900000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2900200 156.949 114.433 -88.7949 114.434 131.285 -98.0802 -88.7956 -98.0804 84.6323 GPRESSURE: 2900200 183.026 61.2984 -100.797 105.005 162.392 -50.787 -60.7534 -136.306 131.392 PRESSAVG: 2900200 -1.1751 55.6405 17.5239 55.6406 -1.16253 15.0866 17.5239 15.0866 36.3353 GPRESSAVG: 2900200 -2.51576 53.8416 18.3976 55.551 -1.1039 15.5282 16.5079 15.6127 37.6958 TIMING: 2900200 CPU: 8736.07, 0.00309287/step Wall: 8736.07, 0.00309287/step, 1.804 hours remaining, 209.203125 MB of memory in use. ENERGY: 2900200 707.2976 2071.2682 1945.0039 127.0744 -206546.2384 17961.2128 0.0000 0.0000 34080.5232 -149653.8582 297.6337 -183734.3814 -149565.0849 298.4631 124.2889 158.9367 557770.6452 11.3326 11.3587 LDB: ============= START OF LOAD BALANCING ============== 8739.58 LDB: ============== END OF LOAD BALANCING =============== 8739.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8739.58 LDB: ============= START OF LOAD BALANCING ============== 8739.88 LDB: Largest compute 4772 load 0.028529 is 24.1% of average load 0.118146 LDB: Average compute 0.001732 is 1.5% of average load 0.118146 LDB: TIME 8739.89 LOAD: AVG 0.118146 MAX 0.20486 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.938 MB LDB: TIME 8739.89 LOAD: AVG 0.118146 MAX 0.20486 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.98 MB LDB: TIME 8739.89 LOAD: AVG 0.118146 MAX 0.20486 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.98 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8739.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8739.89 PRESSURE: 2900400 -91.0495 -36.0937 -14.4569 -36.0944 218.886 128.991 -14.4564 128.99 -199.242 GPRESSURE: 2900400 -14.5753 -49.9217 15.8478 -67.6904 265.576 112.893 -63.9593 87.2037 -216.665 PRESSAVG: 2900400 -2.83053 7.89685 -27.1253 7.89688 77.2884 38.7872 -27.1254 38.7872 -77.1965 GPRESSAVG: 2900400 -2.19065 9.46922 -27.6613 6.84367 78.7361 39.1554 -26.1319 36.9211 -79.6118 TIMING: 2900400 CPU: 8736.68, 0.00303958/step Wall: 8736.68, 0.00303958/step, 1.77275 hours remaining, 209.199219 MB of memory in use. ENERGY: 2900400 764.4171 2073.2949 1934.1763 109.0102 -206640.1779 18007.2584 0.0000 0.0000 34177.1123 -149574.9087 298.4772 -183752.0209 -149479.6529 298.5143 -23.8018 11.4454 558114.6024 -0.9129 -1.0221 PRESSURE: 2900600 134.468 -60.8921 -82.9735 -60.8926 -6.90547 -64.2068 -82.9736 -64.207 -88.593 GPRESSURE: 2900600 122.161 24.455 -79.0583 -104.402 25.063 -75.2198 -37.7411 -34.4456 -1.03828 PRESSAVG: 2900600 -31.6966 -59.4606 -11.7045 -59.4606 87.3313 33.7888 -11.7045 33.7888 -59.1438 GPRESSAVG: 2900600 -30.9 -57.7703 -11.926 -60.0756 85.6307 33.0036 -11.3221 35.3732 -58.2945 TIMING: 2900600 CPU: 8737.27, 0.00298287/step Wall: 8737.27, 0.00298287/step, 1.73951 hours remaining, 209.199219 MB of memory in use. ENERGY: 2900600 716.8999 2061.2717 1929.6269 120.1558 -206463.2753 17950.8184 0.0000 0.0000 34211.8626 -149472.6400 298.7807 -183684.5026 -149371.4288 298.2561 12.9900 48.7286 557185.7335 -1.1697 -1.1879 PRESSURE: 2900800 85.6931 128.095 -148.542 128.095 -202.768 -131.384 -148.541 -131.383 193.6 GPRESSURE: 2900800 108.947 288.175 -109.046 66.838 -177.229 -98.3705 -159.609 -79.259 240.04 PRESSAVG: 2900800 -14.7726 -3.48993 -50.2916 -3.49 -6.51407 36.079 -50.2916 36.079 -10.9704 GPRESSAVG: 2900800 -15.6052 -4.45891 -50.0694 -2.60362 -5.77527 35.0942 -51.3228 36.8237 -10.4499 TIMING: 2900800 CPU: 8737.87, 0.00299914/step Wall: 8737.87, 0.00299914/step, 1.74883 hours remaining, 209.199219 MB of memory in use. ENERGY: 2900800 725.8598 2089.5922 1917.2606 109.7285 -206511.2137 17892.9918 0.0000 0.0000 34318.5903 -149457.1905 299.7128 -183775.7808 -149357.9366 299.4675 25.5083 57.2524 556893.6514 -10.7524 -10.6101 PRESSURE: 2901000 -148.4 136.689 -79.8506 136.69 -161.398 -136.425 -79.8505 -136.425 167.692 GPRESSURE: 2901000 -90.6985 173.752 -218.528 53.2966 -125.932 -83.5697 -111.622 -220.396 172.573 PRESSAVG: 2901000 -32.5149 36.8392 -47.6858 36.8392 29.6024 0.823619 -47.6858 0.823594 9.64203 GPRESSAVG: 2901000 -33.1649 35.6265 -49.1272 37.3979 29.4015 1.18781 -47.7322 1.36771 10.2067 TIMING: 2901000 CPU: 8738.47, 0.003/step Wall: 8738.47, 0.003/step, 1.74917 hours remaining, 209.199219 MB of memory in use. ENERGY: 2901000 723.6411 2095.3425 1936.6451 110.1035 -206366.3986 17879.4294 0.0000 0.0000 34215.1516 -149406.0854 298.8094 -183621.2370 -149314.0513 298.6770 -47.3686 -14.6858 558058.7107 2.2432 2.1478 PRESSURE: 2901200 -117.882 -8.23719 -93.5982 -8.23847 142.657 5.57249 -93.5987 5.57184 217.859 GPRESSURE: 2901200 -109.089 -109.278 -33.2953 -16.5165 212.158 -44.4238 -56.4723 90.5468 243.633 PRESSAVG: 2901200 -35.4664 52.8449 -11.6484 52.8448 -4.73585 -51.7117 -11.6483 -51.7115 39.2484 GPRESSAVG: 2901200 -35.5848 52.7126 -11.586 50.6898 -4.64403 -51.2564 -10.2396 -53.5937 39.0417 TIMING: 2901200 CPU: 8739.07, 0.0029875/step Wall: 8739.07, 0.0029875/step, 1.74171 hours remaining, 209.199219 MB of memory in use. ENERGY: 2901200 752.8916 2134.4187 1931.7863 122.3404 -206254.2770 17985.1294 0.0000 0.0000 34069.2387 -149258.4718 297.5351 -183327.7105 -149158.8927 298.7559 80.8781 115.5672 556954.9457 -0.3179 -0.3957 PRESSURE: 2901400 -97.7636 40.4031 -21.3886 40.4043 -180.377 61.4782 -21.3887 61.4769 -442.987 GPRESSURE: 2901400 -39.5917 50.9314 42.1206 19.3877 -178.906 22.2134 -10.8731 99.3492 -403.891 PRESSAVG: 2901400 23.1985 41.1946 3.021 41.1946 -19.891 -15.5635 3.02096 -15.5635 -5.71722 GPRESSAVG: 2901400 22.9757 42.3416 4.1641 42.5681 -19.9884 -16.5801 4.002 -15.5232 -5.39587 TIMING: 2901400 CPU: 8739.67, 0.00300391/step Wall: 8739.67, 0.00300391/step, 1.75111 hours remaining, 209.492188 MB of memory in use. ENERGY: 2901400 782.6465 2037.4265 1928.3799 117.2489 -205797.6007 17409.7972 0.0000 0.0000 34242.5797 -149279.5220 299.0490 -183522.1017 -149179.4090 298.9138 -240.3757 -207.4628 559647.7709 -0.8032 -0.8029 PRESSURE: 2901600 -149.259 -213.367 31.583 -213.367 -167.267 -159.006 31.582 -159.005 -172.59 GPRESSURE: 2901600 -89.2378 -175.808 0.960081 -134.623 -150.876 -156.255 -8.93457 -130.465 -173.948 PRESSAVG: 2901600 -17.1091 1.33867 -4.93247 1.33866 -3.45004 -80.972 -4.93253 -80.9722 59.3682 GPRESSAVG: 2901600 -16.5924 1.07581 -5.17592 0.724277 -3.30684 -80.1961 -6.6176 -79.0171 58.9176 TIMING: 2901600 CPU: 8740.27, 0.0030222/step Wall: 8740.27, 0.0030222/step, 1.7616 hours remaining, 209.492188 MB of memory in use. ENERGY: 2901600 716.1202 2113.6918 1944.6547 115.7541 -205655.0058 17440.0616 0.0000 0.0000 34141.9915 -149182.7319 298.1705 -183324.7234 -149084.9449 298.8982 -163.0386 -138.0205 558075.9513 12.9363 13.0061 PRESSURE: 2901800 9.86998 -71.4629 -61.6534 -71.4622 99.2541 -41.0779 -61.6541 -41.0779 111.719 GPRESSURE: 2901800 -15.99 -185.88 -70.7919 -55.0874 186.102 17.9594 -33.1905 -104.029 160.662 PRESSAVG: 2901800 -81.4047 46.8157 3.47381 46.8157 -3.8032 -11.0014 3.47375 -11.0016 76.7359 GPRESSAVG: 2901800 -80.7682 43.9334 4.49798 48.481 -3.83999 -9.61367 2.25615 -11.6149 76.2517 TIMING: 2901800 CPU: 8740.88, 0.00300298/step Wall: 8740.88, 0.00300298/step, 1.75023 hours remaining, 209.492188 MB of memory in use. ENERGY: 2901800 734.7255 2051.4584 1913.0633 117.4874 -206248.2774 17944.0148 0.0000 0.0000 34307.0483 -149180.4797 299.6120 -183487.5280 -149080.2278 298.7713 73.6143 110.2579 558083.9166 -2.8240 -2.7855 PRESSURE: 2902000 -124.977 -59.5381 -107.366 -59.538 85.9946 39.6648 -107.366 39.6641 49.0053 GPRESSURE: 2902000 -86.5381 -64.3582 -65.0873 11.826 89.9544 -35.4151 -14.0378 66.037 100.045 PRESSAVG: 2902000 -15.9377 -22.5348 -55.6226 -22.5349 23.3062 9.64294 -55.6225 9.64291 22.4479 GPRESSAVG: 2902000 -15.7716 -18.9296 -57.8783 -24.3004 23.5053 9.45535 -53.6845 8.74361 22.1144 TIMING: 2902000 CPU: 8741.48, 0.00302726/step Wall: 8741.48, 0.00302726/step, 1.76422 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: 2902000 748.2284 2068.2577 1945.0066 115.5134 -206271.5102 17839.1373 0.0000 0.0000 34453.5167 -149101.8499 300.8911 -183555.3667 -149007.4942 299.5513 3.3410 34.4872 559436.3479 9.9388 9.9494 PRESSURE: 2902200 -279.655 -18.6182 1.77099 -18.6173 -135.784 -14.6856 1.77196 -14.6844 157.118 GPRESSURE: 2902200 -200.333 9.17028 -11.5014 -39.3925 -172.81 59.3671 66.792 15.1778 211.847 PRESSAVG: 2902200 59.8052 27.3977 4.57553 27.3978 -82.0299 17.1081 4.57554 17.1082 55.269 GPRESSAVG: 2902200 59.034 26.988 6.80624 26.3773 -81.3849 16.7693 5.74451 17.6351 55.7998 TIMING: 2902200 CPU: 8742.08, 0.00301929/step Wall: 8742.08, 0.00301929/step, 1.75941 hours remaining, 209.492188 MB of memory in use. ENERGY: 2902200 767.0957 2101.7816 1923.9381 102.5135 -206225.3685 17754.4659 0.0000 0.0000 34469.1348 -149106.4388 301.0275 -183575.5736 -149013.3946 299.7990 -86.1072 -53.7653 559660.1155 11.0148 11.1496 PRESSURE: 2902400 -12.9636 -261.726 -122.762 -261.726 -56.8428 -16.821 -122.762 -16.8219 -28.2086 GPRESSURE: 2902400 0.0835348 -241.345 -114.115 -242.5 51.4798 -81.5092 -117.02 18.547 -48.0625 PRESSAVG: 2902400 -17.865 13.4546 7.9195 13.4546 -7.87922 14.0899 7.91956 14.09 18.0044 GPRESSAVG: 2902400 -17.6632 12.6445 9.53587 12.7736 -8.35067 14.6473 5.18584 12.0257 18.2803 TIMING: 2902400 CPU: 8742.69, 0.00301918/step Wall: 8742.69, 0.00301918/step, 1.75917 hours remaining, 209.492188 MB of memory in use. ENERGY: 2902400 755.1733 2098.2494 1964.1427 109.0641 -206185.1224 17856.9081 0.0000 0.0000 34371.1914 -149030.3934 300.1722 -183401.5848 -148933.7143 299.7953 -32.6717 1.1669 556924.6521 -2.5800 -2.5779 PRESSURE: 2902600 -208.528 64.1507 -35.3439 64.1519 -3.42175 167.978 -35.3431 167.978 106.775 GPRESSURE: 2902600 -195.136 30.9015 -1.88492 63.7864 27.1866 36.0925 -5.44711 146.189 156.196 PRESSAVG: 2902600 4.47977 17.575 -23.2475 17.5749 69.2659 25.3695 -23.2475 25.3695 -41.3371 GPRESSAVG: 2902600 5.13556 18.2007 -25.1974 18.6209 67.7988 24.3612 -22.2794 26.3816 -40.1482 TIMING: 2902600 CPU: 8743.29, 0.00299575/step Wall: 8743.29, 0.00299575/step, 1.74536 hours remaining, 209.492188 MB of memory in use. ENERGY: 2902600 734.4643 2077.4704 1956.2972 112.8805 -205842.5729 17531.3697 0.0000 0.0000 34407.4410 -149022.6499 300.4887 -183430.0909 -148922.9432 300.3355 -35.0582 -3.9176 555833.8900 10.8028 10.9287 PRESSURE: 2902800 98.8691 168.458 -218.164 168.458 -14.7908 148.996 -218.165 148.998 -84.6743 GPRESSURE: 2902800 174.04 202.455 -210.546 147.988 -37.4035 222.796 -261.247 59.1142 -44.9211 PRESSAVG: 2902800 30.4445 33.3442 -29.5453 33.3441 22.5389 92.9522 -29.5454 92.9522 -31.9701 GPRESSAVG: 2902800 29.1859 31.087 -30.8338 35.5582 24.7491 91.3537 -29.1761 95.0589 -32.7463 TIMING: 2902800 CPU: 8743.89, 0.00299138/step Wall: 8743.89, 0.00299138/step, 1.74265 hours remaining, 209.492188 MB of memory in use. ENERGY: 2902800 717.9677 2058.7642 1932.8133 104.5849 -205961.8788 17891.2552 0.0000 0.0000 34207.8707 -149048.6228 298.7458 -183256.4935 -148953.9396 300.2013 -0.1987 30.5717 558023.0143 7.0045 7.0629 PRESSURE: 2903000 -236.092 -122.658 222.133 -122.656 79.9539 121.697 222.134 121.696 80.7958 GPRESSURE: 2903000 -161.507 -168.477 243.546 -139.101 92.8455 98.4046 184.026 159.359 93.9327 PRESSAVG: 2903000 36.4906 22.7925 -33.9203 22.7927 9.44018 1.32456 -33.9202 1.32453 -45.8521 GPRESSAVG: 2903000 36.2642 24.6982 -33.7885 20.466 9.79882 3.63085 -33.2198 -1.10956 -45.5406 TIMING: 2903000 CPU: 8744.49, 0.0030395/step Wall: 8744.49, 0.0030395/step, 1.77051 hours remaining, 209.492188 MB of memory in use. ENERGY: 2903000 761.8474 2080.5181 1901.0366 103.9326 -206166.4569 17913.4655 0.0000 0.0000 34413.0721 -148992.5846 300.5379 -183405.6567 -148893.0585 299.8217 -25.1141 8.4237 559278.5209 0.0262 0.1742 PRESSURE: 2903200 90.2386 71.4975 -9.95129 71.4956 100.017 -66.9041 -9.9504 -66.9041 -12.2155 GPRESSURE: 2903200 143.372 93.3507 -31.5071 69.7669 97.8902 -67.4119 78.852 -29.8926 31.336 PRESSAVG: 2903200 -9.96773 65.6155 -5.72839 65.6156 42.8175 0.910522 -5.72848 0.910595 -60.1604 GPRESSAVG: 2903200 -9.30909 65.1931 -5.24005 66.4694 41.4411 0.958616 -4.22802 1.03747 -59.333 TIMING: 2903200 CPU: 8745.09, 0.00300037/step Wall: 8745.09, 0.00300037/step, 1.74755 hours remaining, 209.492188 MB of memory in use. ENERGY: 2903200 760.3039 2075.2355 1962.3825 110.2819 -206328.2986 18018.1363 0.0000 0.0000 34358.3358 -149043.6227 300.0599 -183401.9584 -148953.3611 300.3417 59.3468 90.8661 557647.7357 -9.1035 -9.0670 PRESSURE: 2903400 -273.607 99.6263 -19.6049 99.6273 4.79775 123.867 -19.6041 123.867 -107.823 GPRESSURE: 2903400 -233.653 73.9281 -108.702 112.515 -1.95392 172.054 -103.714 124.393 -32.8966 PRESSAVG: 2903400 -90.1059 49.6426 -2.04952 49.6426 66.0951 26.0271 -2.04938 26.0271 -18.4366 GPRESSAVG: 2903400 -89.3868 51.6402 -1.13448 48.8133 66.5644 24.8103 -4.97696 26.7245 -19.6105 TIMING: 2903400 CPU: 8745.69, 0.00299822/step Wall: 8745.69, 0.00299822/step, 1.74613 hours remaining, 209.492188 MB of memory in use. ENERGY: 2903400 776.3465 2076.6907 1959.2626 112.7495 -205952.0403 17613.0362 0.0000 0.0000 34461.8355 -148952.1191 300.9638 -183413.9546 -148851.3581 299.4278 -125.5442 -89.5012 557853.1139 -14.1491 -14.1443 PRESSURE: 2903600 -31.5456 -100.586 50.2962 -100.586 20.5265 103.566 50.2966 103.567 -30.525 GPRESSURE: 2903600 -13.8004 -52.1922 100.552 -116.934 44.6519 108.164 29.7286 76.444 31.1308 PRESSAVG: 2903600 0.651936 51.7764 -9.68682 51.7764 -18.6453 30.1988 -9.68682 30.1987 42.073 GPRESSAVG: 2903600 0.162498 50.3134 -9.84239 53.074 -17.5666 30.3713 -9.54023 29.8573 41.5649 TIMING: 2903600 CPU: 8746.29, 0.00299341/step Wall: 8746.29, 0.00299341/step, 1.74316 hours remaining, 209.492188 MB of memory in use. ENERGY: 2903600 759.5538 2038.5969 1955.7117 106.4781 -206062.2400 17774.4619 0.0000 0.0000 34434.0856 -148993.3519 300.7214 -183427.4376 -148908.4887 300.2974 -13.8480 20.6608 555975.3484 8.0265 8.0536 PRESSURE: 2903800 264.363 276.517 7.51411 276.518 239.218 -0.820813 7.51412 -0.819942 144.553 GPRESSURE: 2903800 284.387 170.776 -17.3924 276.688 260.354 23.0965 -44.0217 -53.5601 199.451 PRESSAVG: 2903800 18.7573 25.8257 -38.5649 25.8258 -35.683 -33.9824 -38.5649 -33.9824 -7.5585 GPRESSAVG: 2903800 18.7581 23.6104 -40.2511 27.2761 -36.5248 -33.3683 -36.3241 -33.7905 -6.50438 TIMING: 2903800 CPU: 8746.89, 0.00301094/step Wall: 8746.89, 0.00301094/step, 1.7532 hours remaining, 209.492188 MB of memory in use. ENERGY: 2903800 714.0949 2095.3485 1923.0341 114.8806 -206113.5023 17889.8263 0.0000 0.0000 34315.3841 -149060.9337 299.6848 -183376.3178 -148965.0671 300.1960 216.0447 248.0643 555832.5775 -8.1614 -8.0904 PRESSURE: 2904000 191.42 72.8885 -51.7839 72.8872 -176.157 134.96 -51.7839 134.96 82.7461 GPRESSURE: 2904000 222.516 37.1055 -91.5211 92.5067 -157.482 136.761 -44.999 150.41 133.853 PRESSAVG: 2904000 39.5619 34.7976 -12.9283 34.7976 89.9732 -46.4984 -12.9284 -46.4984 -61.242 GPRESSAVG: 2904000 40.1524 36.6938 -7.44948 33.6864 89.3037 -46.204 -15.0235 -46.7228 -61.0939 TIMING: 2904000 CPU: 8747.49, 0.00299316/step Wall: 8747.49, 0.00299316/step, 1.74268 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: 2904000 706.8526 2119.1574 1948.4809 104.2880 -206312.9971 17861.5656 0.0000 0.0000 34556.8966 -149015.7560 301.7940 -183572.6526 -148924.9043 299.7423 32.6699 66.2957 558172.1002 22.7644 22.7874 PRESSURE: 2904200 -23.7567 22.8609 9.71185 22.8591 257.541 82.8964 9.71102 82.8971 124.06 GPRESSURE: 2904200 -26.1324 -9.64749 88.0851 78.4892 257.752 36.1049 -25.1931 54.2094 225.913 PRESSAVG: 2904200 -47.4922 53.9603 2.34164 53.9602 23.8339 6.7482 2.34165 6.74822 51.392 GPRESSAVG: 2904200 -48.0193 53.4581 0.130319 53.446 25.3789 7.82422 1.27529 5.65706 50.752 TIMING: 2904200 CPU: 8748.09, 0.00299386/step Wall: 8748.09, 0.00299386/step, 1.74293 hours remaining, 209.492188 MB of memory in use. ENERGY: 2904200 747.4834 2097.0158 1920.4930 101.8691 -206401.7775 18071.7054 0.0000 0.0000 34373.4415 -149089.7694 300.1918 -183463.2108 -148994.5464 300.1358 119.2813 152.5108 556830.7430 9.2446 9.3705 LDB: ============= START OF LOAD BALANCING ============== 8751.61 LDB: ============== END OF LOAD BALANCING =============== 8751.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8751.61 LDB: ============= START OF LOAD BALANCING ============== 8751.91 LDB: Largest compute 4772 load 0.028915 is 24.5% of average load 0.118059 LDB: Average compute 0.001737 is 1.5% of average load 0.118059 LDB: TIME 8751.91 LOAD: AVG 0.118059 MAX 0.204318 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.402 MB LDB: TIME 8751.91 LOAD: AVG 0.118059 MAX 0.204318 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.461 MB LDB: TIME 8751.91 LOAD: AVG 0.118059 MAX 0.204318 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.461 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8751.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8751.92 PRESSURE: 2904400 -137.664 -165.056 21.987 -165.055 73.8526 54.7487 21.9881 54.7483 437.711 GPRESSURE: 2904400 -64.3661 -139.74 -3.82255 -210.896 117.054 104.209 64.0536 24.2065 425.939 PRESSAVG: 2904400 -28.4914 22.3163 46.4768 22.3161 -22.4567 0.706063 46.4768 0.705948 92.9212 GPRESSAVG: 2904400 -28.7515 20.8597 45.3514 23.864 -23.5229 -2.40909 48.7061 2.6646 94.0526 TIMING: 2904400 CPU: 8748.7, 0.00303976/step Wall: 8748.7, 0.00303976/step, 1.76948 hours remaining, 208.429688 MB of memory in use. ENERGY: 2904400 746.2013 2024.5211 1923.6345 116.2021 -206366.4106 17875.4686 0.0000 0.0000 34434.2101 -149246.1729 300.7225 -183680.3830 -149149.9740 300.2507 124.6331 159.5423 555660.0652 13.9910 13.9261 PRESSURE: 2904600 118.584 -11.9661 43.283 -11.9657 -136.536 120.368 43.2831 120.368 -115.388 GPRESSURE: 2904600 89.8415 -28.8327 24.086 -24.9189 -85.0718 115.252 17.1079 161.574 -44.0077 PRESSAVG: 2904600 2.06365 2.37973 18.7773 2.37963 -45.1381 59.9156 18.7773 59.9155 50.347 GPRESSAVG: 2904600 2.01986 5.88774 18.9134 1.75771 -44.1949 60.3729 18.0799 58.9246 50.0291 TIMING: 2904600 CPU: 8749.3, 0.00298001/step Wall: 8749.3, 0.00298001/step, 1.73453 hours remaining, 208.687500 MB of memory in use. ENERGY: 2904600 738.6536 2066.6772 1932.9023 102.3470 -206021.1161 17741.6821 0.0000 0.0000 34296.5092 -149142.3447 299.5199 -183438.8539 -149048.0831 299.6137 -44.4466 -13.0794 557179.5674 2.4242 2.6180 PRESSURE: 2904800 154.597 77.6546 -25.3153 77.6557 -67.1993 59.4524 -25.3163 59.4538 50.3434 GPRESSURE: 2904800 172.683 96.118 13.8035 57.2601 -28.9871 152.114 59.5689 -0.0264349 88.7533 PRESSAVG: 2904800 -9.28671 -5.156 27.2274 -5.15597 -28.9395 -13.6851 27.2274 -13.6851 16.1508 GPRESSAVG: 2904800 -9.17451 -5.37642 27.1339 -4.80699 -29.3252 -15.4113 27.1571 -12.3714 16.7125 TIMING: 2904800 CPU: 8749.89, 0.00296953/step Wall: 8749.89, 0.00296953/step, 1.72826 hours remaining, 208.687500 MB of memory in use. ENERGY: 2904800 711.7648 2042.9067 1949.4166 121.8821 -206088.5674 17817.0498 0.0000 0.0000 34236.2920 -149209.2553 298.9941 -183445.5473 -149106.9395 299.4787 45.9137 77.4830 557223.3886 -7.3585 -7.2624 PRESSURE: 2905000 -64.4789 88.6137 26.3995 88.6139 -3.57883 -119.815 26.4004 -119.815 62.6777 GPRESSURE: 2905000 -73.8399 52.3021 17.9316 106.957 15.3582 -96.6761 110.108 -71.0062 141.355 PRESSAVG: 2905000 -29.8149 15.1163 -31.7423 15.1163 22.0599 0.201769 -31.7424 0.201887 14.1525 GPRESSAVG: 2905000 -29.0926 14.862 -31.615 14.5606 21.8711 3.09924 -33.7572 -0.699228 13.2925 TIMING: 2905000 CPU: 8750.48, 0.00296729/step Wall: 8750.48, 0.00296729/step, 1.7268 hours remaining, 208.687500 MB of memory in use. ENERGY: 2905000 765.7101 2007.7821 1945.7420 108.9737 -206116.0084 17734.0130 0.0000 0.0000 34361.0812 -149192.7064 300.0839 -183553.7876 -149088.9609 299.4547 -1.7933 27.6244 557055.1790 2.1325 2.0237 PRESSURE: 2905200 94.6144 24.0371 -85.5731 24.0391 185.767 87.3793 -85.5732 87.3792 250.777 GPRESSURE: 2905200 163.344 29.5249 -151.759 -3.86642 216.021 88.0084 -77.2173 25.6691 260.594 PRESSAVG: 2905200 4.12273 25.2357 -62.9271 25.2357 -2.58027 1.73935 -62.9272 1.73924 8.23624 GPRESSAVG: 2905200 4.70313 25.7065 -62.7866 24.7088 -3.20755 0.654528 -60.9485 1.36122 7.94927 TIMING: 2905200 CPU: 8751.07, 0.00295138/step Wall: 8751.07, 0.00295138/step, 1.71738 hours remaining, 208.687500 MB of memory in use. ENERGY: 2905200 747.0570 2070.3301 1896.6172 118.3899 -206073.7871 17880.4310 0.0000 0.0000 34059.4750 -149301.4869 297.4499 -183360.9619 -149204.4938 298.8387 177.0529 213.3196 556431.4020 3.2596 3.1483 PRESSURE: 2905400 -90.5763 8.63705 40.4476 8.63529 -384.217 152.132 40.4473 152.131 176.672 GPRESSURE: 2905400 -72.088 20.035 89.1538 -14.6275 -336.262 105.829 -10.9164 168.463 209.056 PRESSAVG: 2905400 48.5156 7.30097 40.3507 7.30087 -40.9892 64.3345 40.3507 64.3346 8.01337 GPRESSAVG: 2905400 47.3036 7.90484 40.197 8.00544 -39.7269 63.7017 40.2248 65.2216 7.44085 TIMING: 2905400 CPU: 8751.67, 0.00296087/step Wall: 8751.67, 0.00296087/step, 1.72273 hours remaining, 208.687500 MB of memory in use. ENERGY: 2905400 727.8293 2132.6952 1935.5793 120.2050 -206017.0773 17633.0305 0.0000 0.0000 34126.8679 -149340.8701 298.0384 -183467.7380 -149245.5154 298.5309 -99.3738 -66.4312 557491.6092 5.1799 5.0058 PRESSURE: 2905600 49.4301 77.2364 -81.0119 77.236 -101.536 48.2788 -81.011 48.2785 -86.9684 GPRESSURE: 2905600 97.9036 2.29798 -9.95717 189.068 -80.252 3.80082 -83.1591 80.2065 -54.5351 PRESSAVG: 2905600 34.1317 4.37138 -23.7364 4.37138 -99.1738 25.7522 -23.7363 25.7521 41.7205 GPRESSAVG: 2905600 33.8038 3.78884 -22.98 2.98808 -100.317 25.241 -23.2379 25.3681 42.7494 TIMING: 2905600 CPU: 8752.26, 0.00298025/step Wall: 8752.26, 0.00298025/step, 1.73384 hours remaining, 208.687500 MB of memory in use. ENERGY: 2905600 706.0669 2079.2632 1961.2188 129.5479 -205929.6634 17568.1888 0.0000 0.0000 34088.5910 -149396.7868 297.7041 -183485.3778 -149301.2901 298.0483 -46.3582 -12.2945 556653.1902 -7.7739 -7.9211 PRESSURE: 2905800 -101.284 131.946 -95.9274 131.947 66.3271 -53.5688 -95.9279 -53.5685 209.322 GPRESSURE: 2905800 -66.5193 70.3798 -42.7194 76.1488 83.1296 -66.4995 -1.08901 -17.0694 240.853 PRESSAVG: 2905800 -59.8454 35.8968 -32.0638 35.8969 -47.6735 -23.5945 -32.0638 -23.5944 52.146 GPRESSAVG: 2905800 -59.4033 34.4829 -33.0726 38.1748 -47.9358 -23.2158 -31.334 -22.7316 51.4702 TIMING: 2905800 CPU: 8752.85, 0.0029524/step Wall: 8752.85, 0.0029524/step, 1.71748 hours remaining, 208.757812 MB of memory in use. ENERGY: 2905800 723.0116 2145.5020 1942.5425 118.8843 -206208.2951 17836.5254 0.0000 0.0000 34210.5655 -149231.2639 298.7694 -183441.8293 -149128.8881 299.3419 58.1218 85.8210 557812.6140 -18.4576 -18.6230 PRESSURE: 2906000 -17.4767 74.2906 262.089 74.2902 61.728 -102.627 262.089 -102.629 226.791 GPRESSURE: 2906000 -5.09825 134.747 200.106 4.92563 113.644 -37.433 229.852 -203.103 246.253 PRESSAVG: 2906000 9.46705 -17.7691 -19.0247 -17.769 -3.07357 1.31194 -19.0247 1.31183 15.7207 GPRESSAVG: 2906000 9.05023 -19.7654 -17.9544 -17.5395 -3.18505 2.20084 -22.1722 -0.959471 15.718 TIMING: 2906000 CPU: 8753.45, 0.00297167/step Wall: 8753.45, 0.00297167/step, 1.72852 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: 2906000 757.7264 2090.6627 1915.1508 110.3244 -206310.6001 17879.1666 0.0000 0.0000 34049.0348 -149508.5344 297.3587 -183557.5692 -149419.0030 298.7241 90.3474 118.2664 556205.3155 7.3714 7.1944 PRESSURE: 2906200 -108.813 45.3945 170.377 45.3939 -197.852 110.624 170.377 110.622 -307.859 GPRESSURE: 2906200 -62.3884 -6.86677 96.273 112.912 -172.773 55.5633 218.116 146.157 -290.953 PRESSAVG: 2906200 -45.0227 -7.27239 37.3718 -7.27247 -15.5111 5.89141 37.3718 5.89142 80.509 GPRESSAVG: 2906200 -44.9334 -5.02531 38.27 -7.25141 -15.0405 5.67791 39.0297 6.95627 80.2804 TIMING: 2906200 CPU: 8754.05, 0.00300036/step Wall: 8754.05, 0.00300036/step, 1.74504 hours remaining, 208.757812 MB of memory in use. ENERGY: 2906200 748.8742 2069.0623 1966.2381 110.0668 -206020.3739 17367.6023 0.0000 0.0000 34312.6924 -149445.8376 299.6613 -183758.5301 -149348.0520 298.4578 -204.8416 -175.3713 557127.8853 6.6584 6.7688 PRESSURE: 2906400 140.262 92.6319 -108.27 92.6329 -131.417 -146.811 -108.269 -146.813 40.6663 GPRESSURE: 2906400 175.278 54.2605 -28.9993 -2.43065 -31.9339 -151.723 -152.773 -93.4993 6.63049 PRESSAVG: 2906400 -4.72297 -11.5832 -6.08605 -11.5832 4.1683 -9.49571 -6.08611 -9.49568 6.41446 GPRESSAVG: 2906400 -4.94523 -13.1631 -7.46528 -12.9452 4.26997 -8.84362 -3.60103 -11.7589 5.74795 TIMING: 2906400 CPU: 8754.65, 0.00301065/step Wall: 8754.65, 0.00301065/step, 1.75086 hours remaining, 208.757812 MB of memory in use. ENERGY: 2906400 782.0119 2081.3309 1927.8760 115.3178 -206391.8470 17809.4196 0.0000 0.0000 34443.9671 -149231.9237 300.8077 -183675.8908 -149131.8547 299.4027 16.5039 49.9914 556860.1415 1.9533 1.6909 PRESSURE: 2906600 -86.5454 9.30002 132.367 9.30024 73.55 -124.116 132.367 -124.115 -115.254 GPRESSURE: 2906600 -104.286 25.3143 106.152 17.5106 124.85 -73.8511 74.2302 -79.2739 -40.4341 PRESSAVG: 2906600 -18.5164 31.594 0.202669 31.5941 19.7843 -40.593 0.202537 -40.593 31.2648 GPRESSAVG: 2906600 -17.535 32.5651 -0.574226 32.7785 19.0939 -40.0435 -2.22809 -39.2531 31.6029 TIMING: 2906600 CPU: 8755.25, 0.00299438/step Wall: 8755.25, 0.00299438/step, 1.74123 hours remaining, 208.757812 MB of memory in use. ENERGY: 2906600 757.9241 2055.1241 1914.4306 102.9006 -206024.3255 17864.6691 0.0000 0.0000 34157.2187 -149172.0582 298.3035 -183329.2769 -149078.7562 299.2168 -42.7497 -6.6234 558863.9979 10.8442 11.0539 PRESSURE: 2906800 -64.0373 41.4174 -3.34535 41.4173 152.751 -194.444 -3.34353 -194.445 -76.1006 GPRESSURE: 2906800 -45.009 30.5869 51.0925 58.9504 132.375 -175.675 -52.7554 -209.237 9.03644 PRESSAVG: 2906800 -21.2518 -46.2061 -12.8971 -46.2062 22.9697 4.37515 -12.897 4.37515 2.91403 GPRESSAVG: 2906800 -22.571 -45.7411 -8.7492 -45.149 23.2953 1.42096 -14.6979 6.9535 3.16457 TIMING: 2906800 CPU: 8755.85, 0.00299194/step Wall: 8755.85, 0.00299194/step, 1.73965 hours remaining, 208.757812 MB of memory in use. ENERGY: 2906800 790.0365 2107.8978 1919.6351 112.1010 -206487.8719 17895.4383 0.0000 0.0000 34389.0873 -149273.6758 300.3285 -183662.7631 -149177.6481 299.2617 4.2044 32.1342 556178.6358 1.5440 1.2963 PRESSURE: 2907000 57.5142 47.0466 -171.23 47.0471 -187.511 36.991 -171.23 36.9913 42.9608 GPRESSURE: 2907000 81.2333 -7.49966 -101.289 63.0467 -106.512 109.945 -152.157 -24.5107 26.2156 PRESSAVG: 2907000 14.963 6.37867 -8.34366 6.37877 45.6158 40.6805 -8.34366 40.6804 -9.24394 GPRESSAVG: 2907000 17.3144 7.3295 -12.4212 4.14565 45.6152 43.5157 -4.94402 37.886 -10.3602 TIMING: 2907000 CPU: 8756.44, 0.00296669/step Wall: 8756.44, 0.00296669/step, 1.7248 hours remaining, 208.757812 MB of memory in use. ENERGY: 2907000 745.3200 2082.0744 1921.6280 106.2587 -206119.2243 17648.4725 0.0000 0.0000 34377.6401 -149237.8305 300.2285 -183615.4707 -149139.7809 299.7275 -29.0119 0.3123 557337.4369 17.1116 17.5231 PRESSURE: 2907200 122.683 -77.4642 -40.2957 -77.4645 3.18468 -55.4062 -40.2955 -55.4062 -89.8441 GPRESSURE: 2907200 132.419 -63.6022 -51.7177 -78.9537 40.7487 -49.1682 8.5079 -38.1337 -28.444 PRESSAVG: 2907200 35.6406 -4.751 -9.74837 -4.75095 -9.55095 34.4798 -9.74835 34.4798 -25.2987 GPRESSAVG: 2907200 33.6742 -5.77925 -8.48775 -2.16696 -9.22765 33.0939 -10.7698 34.664 -23.3575 TIMING: 2907200 CPU: 8757.03, 0.00295829/step Wall: 8757.03, 0.00295829/step, 1.71976 hours remaining, 208.757812 MB of memory in use. ENERGY: 2907200 762.5939 2088.5946 1921.8268 122.5249 -206408.5414 17862.9313 0.0000 0.0000 34254.3228 -149395.7472 299.1515 -183650.0700 -149299.9239 299.4151 12.0077 48.2413 558196.1633 0.2636 0.3630 PRESSURE: 2907400 25.9199 47.3018 35.4079 47.3013 38.6418 7.97985 35.407 7.97882 -3.11738 GPRESSURE: 2907400 59.2927 -18.6135 -6.96407 48.0806 71.3446 -23.8929 49.4151 -1.91396 29.3263 PRESSAVG: 2907400 31.5997 2.6423 -44.8791 2.64224 13.8316 -4.32622 -44.8791 -4.32613 3.59603 GPRESSAVG: 2907400 32.2425 2.77829 -46.7394 2.91125 13.3356 -2.31435 -43.0703 -2.13044 3.576 TIMING: 2907400 CPU: 8757.63, 0.00297463/step Wall: 8757.63, 0.00297463/step, 1.72909 hours remaining, 208.757812 MB of memory in use. ENERGY: 2907400 784.9226 2096.3876 1931.0808 107.9020 -206349.4032 17915.7091 0.0000 0.0000 34059.1295 -149454.2714 297.4468 -183513.4010 -149365.7087 298.7963 20.4814 53.3212 556785.8128 16.3424 16.3847 PRESSURE: 2907600 3.74992 -215.592 -48.4329 -215.593 -237.139 -223.377 -48.4326 -223.378 -161.471 GPRESSURE: 2907600 -12.4587 -240.71 -202.258 -166.573 -220.56 -236.187 -80.1371 -125.499 -75.7597 PRESSAVG: 2907600 44.4133 -28.0396 -22.7226 -28.0396 -63.5598 -32.304 -22.7226 -32.304 -36.7989 GPRESSAVG: 2907600 43.8711 -27.9116 -24.4024 -30.3623 -63.1779 -33.9016 -25.1804 -32.9464 -36.577 TIMING: 2907600 CPU: 8758.23, 0.00301417/step Wall: 8758.23, 0.00301417/step, 1.7519 hours remaining, 208.757812 MB of memory in use. ENERGY: 2907600 768.2948 2093.1097 1930.9181 112.4143 -206318.0967 17736.4755 0.0000 0.0000 34190.4254 -149486.4588 298.5935 -183676.8842 -149386.9880 298.1542 -131.6200 -102.9261 557755.0356 -18.6485 -18.6279 PRESSURE: 2907800 -90.4578 -98.1289 -6.26846 -98.1282 95.7238 -94.3502 -6.2686 -94.3485 177.107 GPRESSURE: 2907800 -40.003 -64.1057 -27.5105 -68.795 174.295 -131.172 4.42992 -88.7337 157.117 PRESSAVG: 2907800 -20.5409 -20.5894 22.2546 -20.5893 -45.3663 23.0716 22.2546 23.0715 33.2063 GPRESSAVG: 2907800 -20.2083 -20.4169 26.518 -21.4787 -44.537 22.9833 24.8364 21.5402 32.6293 TIMING: 2907800 CPU: 8758.82, 0.00297826/step Wall: 8758.82, 0.00297826/step, 1.73086 hours remaining, 208.757812 MB of memory in use. ENERGY: 2907800 770.1307 2108.5079 1926.8715 119.7418 -206309.5882 17804.5233 0.0000 0.0000 34120.1962 -149459.6168 297.9802 -183579.8130 -149366.0972 298.8729 60.7911 97.1362 555549.0048 -10.9003 -10.7054 PRESSURE: 2908000 -120.449 -65.744 -57.1525 -65.7432 9.63067 -196.634 -57.1518 -196.634 55.2334 GPRESSURE: 2908000 -94.7608 -32.7691 -10.822 -4.68208 65.7184 -131.489 -98.0631 -280.151 72.5208 PRESSAVG: 2908000 -61.3569 -20.5045 -4.35987 -20.5045 50.2591 2.32612 -4.35984 2.32622 44.9192 GPRESSAVG: 2908000 -60.0549 -20.4241 -5.992 -20.2538 48.7006 3.17027 -6.3028 2.34616 45.1299 TIMING: 2908000 CPU: 8759.41, 0.00293552/step Wall: 8759.41, 0.00293552/step, 1.70586 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: 2908000 768.4262 2052.5454 1936.6350 108.8538 -206412.3223 17874.5486 0.0000 0.0000 34411.2175 -149260.0958 300.5217 -183671.3133 -149166.0156 299.3272 -18.5282 14.4928 556987.4459 11.2738 11.2585 PRESSURE: 2908200 -52.8563 -33.5393 -58.9546 -33.5398 -254.462 -72.9272 -58.9548 -72.9276 -404.624 GPRESSURE: 2908200 -2.46931 -13.8455 -66.916 24.1279 -234.874 -127.547 -31.1322 -56.8412 -374.539 PRESSAVG: 2908200 -39.4436 21.8656 -64.4009 21.8656 -2.18387 -27.1307 -64.4009 -27.1306 82.1096 GPRESSAVG: 2908200 -39.2251 22.4583 -63.707 23.3117 -2.13503 -26.1674 -65.8754 -26.2394 82.2776 TIMING: 2908200 CPU: 8760, 0.00294774/step Wall: 8760, 0.00294774/step, 1.7128 hours remaining, 208.757812 MB of memory in use. ENERGY: 2908200 797.9330 2154.1278 1934.4804 127.1640 -205774.9349 17566.9600 0.0000 0.0000 34137.3248 -149056.9450 298.1297 -183194.2698 -148963.6723 300.2534 -237.3141 -203.9608 558938.7866 13.4940 13.6391 LDB: ============= START OF LOAD BALANCING ============== 8763.51 LDB: ============== END OF LOAD BALANCING =============== 8763.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8763.52 LDB: ============= START OF LOAD BALANCING ============== 8763.81 LDB: Largest compute 4772 load 0.028109 is 23.8% of average load 0.117995 LDB: Average compute 0.001742 is 1.5% of average load 0.117995 LDB: TIME 8763.82 LOAD: AVG 0.117995 MAX 0.20431 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.578 MB LDB: TIME 8763.82 LOAD: AVG 0.117995 MAX 0.20431 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.781 MB LDB: TIME 8763.82 LOAD: AVG 0.117995 MAX 0.20431 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.781 MB LDB: ============== END OF LOAD BALANCING =============== 8763.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8763.82 PRESSURE: 2908400 -148.456 -226.172 79.1051 -226.172 -48.4161 -108.912 79.1045 -108.912 38.9632 GPRESSURE: 2908400 -45.7323 -182.351 174.611 -232.265 -45.296 -78.4973 10.0752 -102.494 42.7253 PRESSAVG: 2908400 -7.32036 -47.0829 7.4238 -47.0828 -50.8943 -60.6011 7.42381 -60.6012 14.4954 GPRESSAVG: 2908400 -7.94627 -46.6375 7.66986 -47.5177 -50.2007 -58.9247 8.09996 -62.1844 14.2119 TIMING: 2908400 CPU: 8760.61, 0.00303252/step Wall: 8760.61, 0.00303252/step, 1.76189 hours remaining, 208.542969 MB of memory in use. ENERGY: 2908400 750.2352 2078.2944 1949.5112 106.8928 -205941.3198 17593.7950 0.0000 0.0000 34417.3097 -149045.2816 300.5749 -183462.5913 -148948.7610 299.5167 -52.6364 -16.1010 558032.1471 -14.5731 -14.6450 PRESSURE: 2908600 -9.07093 -92.4101 20.826 -92.4099 224.859 -59.4133 20.8247 -59.4134 -4.26772 GPRESSURE: 2908600 57.5967 -77.5776 -51.4851 -92.0637 230.537 -133.538 72.3966 2.92456 16.0147 PRESSAVG: 2908600 -30.2165 -14.9315 25.3477 -14.9315 39.1242 -47.4163 25.3477 -47.416 -11.4799 GPRESSAVG: 2908600 -31.2306 -15.5057 24.2215 -14.8306 39.8472 -49.5008 25.265 -45.914 -10.7589 TIMING: 2908600 CPU: 8761.21, 0.00299168/step Wall: 8761.21, 0.00299168/step, 1.738 hours remaining, 208.542969 MB of memory in use. ENERGY: 2908600 757.9709 2099.0552 1913.5307 118.5078 -206647.3450 18090.1695 0.0000 0.0000 34370.8133 -149297.2976 300.1689 -183668.1109 -149205.8893 299.5355 70.5068 101.3828 557312.2636 -0.8574 -0.7141 PRESSURE: 2908800 -189.972 147.319 -19.9978 147.319 -49.0886 3.64264 -19.9979 3.64252 196.677 GPRESSURE: 2908800 -92.057 192.224 37.0598 188.646 -1.51982 17.7569 -32.0283 -23.6373 149.25 PRESSAVG: 2908800 -83.7767 43.6065 40.856 43.6065 96.9285 13.9794 40.856 13.9793 -10.0862 GPRESSAVG: 2908800 -84.1193 41.9595 41.9958 43.9035 97.3614 13.4634 39.981 13.8149 -10.2167 TIMING: 2908800 CPU: 8761.8, 0.0029726/step Wall: 8761.8, 0.0029726/step, 1.72675 hours remaining, 208.542969 MB of memory in use. ENERGY: 2908800 747.2198 2062.0147 1918.0604 116.2031 -206153.8221 17774.7026 0.0000 0.0000 34210.4068 -149325.2147 298.7680 -183535.6215 -149221.3507 298.3690 -14.1279 18.5578 557219.9859 1.0218 1.0085 PRESSURE: 2909000 -46.8239 -9.65879 -57.6423 -9.65856 -1.96038 -27.6349 -57.6427 -27.6362 128.672 GPRESSURE: 2909000 -6.73323 -99.4808 -157.972 26.0869 63.3302 -151.759 22.6904 57.8312 112.122 PRESSAVG: 2909000 -22.582 30.8904 -12.8465 30.8903 -20.3557 -20.5013 -12.8465 -20.5013 17.2275 GPRESSAVG: 2909000 -22.2681 32.2714 -14.6769 30.5179 -20.838 -19.1461 -10.179 -20.2533 17.6229 TIMING: 2909000 CPU: 8762.4, 0.00298504/step Wall: 8762.4, 0.00298504/step, 1.73381 hours remaining, 208.542969 MB of memory in use. ENERGY: 2909000 759.3431 2093.6445 1919.5557 115.7228 -206585.2217 17966.3459 0.0000 0.0000 34242.2971 -149488.3125 299.0465 -183730.6096 -149394.1070 298.6731 26.6293 56.2397 556886.7941 -8.5701 -8.4944 PRESSURE: 2909200 -105.632 -39.4784 -16.9954 -39.4792 145.018 -16.3424 -16.9958 -16.3421 46.3708 GPRESSURE: 2909200 -22.2839 -32.5397 -55.3387 -82.8358 172.273 -45.4404 -27.1475 -92.8894 36.056 PRESSAVG: 2909200 -57.9086 8.55523 20.4524 8.55534 6.55559 -44.9799 20.4524 -44.9797 71.6022 GPRESSAVG: 2909200 -56.2954 8.29707 22.5081 8.91787 5.64793 -45.9447 17.7896 -44.0502 70.8795 TIMING: 2909200 CPU: 8763, 0.00299894/step Wall: 8763, 0.00299894/step, 1.74172 hours remaining, 208.542969 MB of memory in use. ENERGY: 2909200 751.8447 2122.2593 1954.9024 119.6117 -206289.4070 17924.2572 0.0000 0.0000 33985.1041 -149431.4276 296.8004 -183416.5318 -149327.0903 298.5362 28.5856 62.0150 557168.7098 6.7497 6.7440 PRESSURE: 2909400 -129.178 104.813 -15.2342 104.814 69.4517 -110.336 -15.234 -110.336 -217.186 GPRESSURE: 2909400 -119.075 104.726 51.4897 71.6241 150.265 -90.3954 49.3544 -123.367 -209.596 PRESSAVG: 2909400 -1.31979 41.3785 -24.2025 41.3785 -27.4411 -0.427143 -24.2024 -0.427164 -11.0411 GPRESSAVG: 2909400 -2.46429 41.3297 -25.0347 40.6703 -26.087 0.40201 -22.2087 -1.07201 -11.4768 TIMING: 2909400 CPU: 8763.59, 0.00298414/step Wall: 8763.59, 0.00298414/step, 1.73296 hours remaining, 208.746094 MB of memory in use. ENERGY: 2909400 760.4251 2081.3220 1952.2008 120.7916 -206404.3712 17832.5408 0.0000 0.0000 34124.0880 -149533.0029 298.0141 -183657.0909 -149435.7534 298.0937 -92.3042 -59.4685 557470.8768 -13.2673 -13.3427 PRESSURE: 2909600 -226.006 82.2239 72.1531 82.2251 -124.407 -151.643 72.1538 -151.642 -228.506 GPRESSURE: 2909600 -184.354 67.152 31.89 85.3026 -10.3074 -84.1953 27.5648 -130.117 -296.923 PRESSAVG: 2909600 -0.56611 64.9559 10.3638 64.9559 49.5412 0.694517 10.3638 0.694627 -39.2046 GPRESSAVG: 2909600 0.142615 64.8375 9.85632 64.9651 49.1367 -0.294117 10.1924 -0.768358 -39.328 TIMING: 2909600 CPU: 8764.19, 0.00297464/step Wall: 8764.19, 0.00297464/step, 1.72728 hours remaining, 208.746094 MB of memory in use. ENERGY: 2909600 762.1153 2103.9785 1949.3014 123.0439 -206339.2937 17777.0168 0.0000 0.0000 34006.6516 -149617.1861 296.9885 -183623.8377 -149527.3682 298.5198 -192.9731 -163.8617 557898.6547 3.2569 3.3171 PRESSURE: 2909800 424.884 -137.388 -154.026 -137.388 102.142 -157.036 -154.026 -157.036 -26.3628 GPRESSURE: 2909800 494.439 -53.1943 -107.915 -197.072 139.237 -117.433 -150.072 -246.171 -42.7112 PRESSAVG: 2909800 -22.7501 -16.2498 65.0239 -16.2498 4.82001 25.3806 65.0238 25.3806 17.6911 GPRESSAVG: 2909800 -23.6575 -15.0017 65.141 -17.8864 3.87695 26.4544 63.7939 25.2164 18.6853 TIMING: 2909800 CPU: 8764.79, 0.00298459/step Wall: 8764.79, 0.00298459/step, 1.73289 hours remaining, 208.746094 MB of memory in use. ENERGY: 2909800 721.2243 2136.9417 1920.2000 123.2922 -207002.5257 18351.9067 0.0000 0.0000 34082.5061 -149666.4546 297.6510 -183748.9606 -149573.2125 297.9671 166.8876 196.9882 557057.8565 -0.0797 -0.3651 PRESSURE: 2910000 100.11 -10.5217 73.4009 -10.5213 -188.876 145.208 73.4012 145.208 -159.318 GPRESSURE: 2910000 132.817 -10.3082 92.8115 -18.8155 -165.652 166.75 61.4062 197.567 -102.085 PRESSAVG: 2910000 -9.3419 -38.1503 0.627182 -38.1503 -30.6235 -9.21966 0.627142 -9.21963 -10.5769 GPRESSAVG: 2910000 -8.51501 -40.8628 0.27488 -37.0316 -31.4504 -10.6246 1.34086 -8.68736 -10.3762 TIMING: 2910000 CPU: 8765.39, 0.00301551/step Wall: 8765.39, 0.00301551/step, 1.75067 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: 2910000 787.0456 2098.3488 1924.2520 112.0154 -206426.8785 17739.3333 0.0000 0.0000 34260.2578 -149505.6256 299.2034 -183765.8834 -149399.8331 297.8787 -82.6945 -44.9731 557020.8536 -16.8474 -16.7805 PRESSURE: 2910200 -325.825 -111.996 -153.852 -111.995 -42.902 70.0587 -153.851 70.0593 -57.4356 GPRESSURE: 2910200 -230.353 -96.1301 -158.88 -46.2718 -44.6492 59.8563 -140.141 26.4146 -41.3496 PRESSAVG: 2910200 19.6391 -17.8836 -25.1854 -17.8835 17.3762 67.0638 -25.1854 67.0637 -2.64342 GPRESSAVG: 2910200 21.0891 -16.6308 -22.8915 -18.4095 16.3312 67.8255 -26.1204 66.7768 -3.30701 TIMING: 2910200 CPU: 8765.99, 0.00298588/step Wall: 8765.99, 0.00298588/step, 1.7333 hours remaining, 208.746094 MB of memory in use. ENERGY: 2910200 722.7977 2089.6975 1927.2766 107.2516 -206409.7525 17741.5649 0.0000 0.0000 34219.5396 -149601.6247 298.8478 -183821.1643 -149502.2632 297.9866 -142.0541 -105.4507 558834.0883 11.4573 11.3711 PRESSURE: 2910400 -88.6781 -66.3895 158.202 -66.3895 -143.778 13.8273 158.201 13.8278 -20.9901 GPRESSURE: 2910400 -45.8734 -56.362 198.149 -28.7194 -95.1758 -11.2212 68.7163 -9.52853 -16.5553 PRESSAVG: 2910400 -26.819 0.216264 10.7554 0.216219 -2.32493 52.241 10.7554 52.2411 1.87605 GPRESSAVG: 2910400 -27.6664 0.0224146 9.60003 -0.352022 -0.593128 50.7512 10.4508 51.8075 0.870505 TIMING: 2910400 CPU: 8766.59, 0.00302448/step Wall: 8766.59, 0.00302448/step, 1.75554 hours remaining, 208.746094 MB of memory in use. ENERGY: 2910400 750.6966 2108.3176 1914.9152 108.4322 -206312.2853 17744.9791 0.0000 0.0000 34264.6297 -149420.3148 299.2415 -183684.9446 -149322.1154 298.1966 -84.4822 -52.5348 557757.1508 -9.0893 -9.1297 PRESSURE: 2910600 -26.1699 -67.1645 48.4725 -67.1644 -55.5237 79.6157 48.4712 79.6154 -98.1667 GPRESSURE: 2910600 -29.8424 -21.7761 -70.0953 -72.4676 -24.6948 58.7138 109.843 77.1151 -20.9629 PRESSAVG: 2910600 8.67215 -16.7196 42.2703 -16.7196 -6.56085 -0.981481 42.2703 -0.981513 -33.7534 GPRESSAVG: 2910600 6.58915 -16.2125 40.1178 -14.0643 -4.87885 0.0918791 43.785 -0.219024 -32.6708 TIMING: 2910600 CPU: 8767.2, 0.00302423/step Wall: 8767.2, 0.00302423/step, 1.75523 hours remaining, 208.746094 MB of memory in use. ENERGY: 2910600 745.2710 2089.9350 1916.8204 104.2391 -206397.1704 17904.1051 0.0000 0.0000 34141.7629 -149495.0370 298.1685 -183636.7999 -149398.0329 298.4032 -59.9534 -25.1667 559149.8343 -10.5474 -10.3202 PRESSURE: 2910800 69.7824 12.2054 59.9558 12.206 145.628 -1.61507 59.9553 -1.6165 -26.2894 GPRESSURE: 2910800 76.694 -54.7418 15.1467 34.3827 208.487 -77.5145 59.113 -2.16971 0.848343 PRESSAVG: 2910800 91.437 29.5561 0.786318 29.5561 30.4781 1.06863 0.786298 1.06859 -79.3376 GPRESSAVG: 2910800 93.1516 28.9878 1.58946 29.0863 29.1925 1.40751 1.91667 0.341483 -79.6551 TIMING: 2910800 CPU: 8767.79, 0.00299542/step Wall: 8767.79, 0.00299542/step, 1.73834 hours remaining, 208.746094 MB of memory in use. ENERGY: 2910800 756.8239 2077.3926 1914.1084 117.8860 -206650.3524 18126.2245 0.0000 0.0000 34223.4797 -149434.4373 298.8822 -183657.9170 -149333.6756 298.4673 63.0404 95.3431 558694.3841 14.1925 14.2297 PRESSURE: 2911000 129.461 72.3955 -109.439 72.3972 -90.9198 -44.6342 -109.439 -44.6328 8.29768 GPRESSURE: 2911000 157.8 86.5827 -153.171 71.9371 -62.0951 13.677 -49.8903 -162.631 50.1579 PRESSAVG: 2911000 40.0217 -34.1523 14.6128 -34.1522 -9.39954 -13.2909 14.6127 -13.2909 -37.3006 GPRESSAVG: 2911000 39.9591 -33.2466 14.5367 -34.4669 -9.77043 -14.1088 12.2302 -14.0984 -37.5696 TIMING: 2911000 CPU: 8768.4, 0.00301259/step Wall: 8768.4, 0.00301259/step, 1.74814 hours remaining, 208.746094 MB of memory in use. ENERGY: 2911000 799.4186 2131.0392 1947.6744 117.4516 -206679.6517 18058.6227 0.0000 0.0000 34302.3676 -149323.0775 299.5711 -183625.4451 -149226.6346 298.9292 15.6128 48.6209 557129.1231 -2.2262 -2.4603 PRESSURE: 2911200 77.1877 -78.1057 -13.3135 -78.1057 -235.021 -214.127 -13.3139 -214.126 -283.033 GPRESSURE: 2911200 136.296 -100.171 23.6219 -20.1775 -229.418 -260.715 -20.0327 -192.752 -249.962 PRESSAVG: 2911200 12.8429 -29.6883 -21.8472 -29.6883 26.3965 13.2694 -21.8472 13.2694 -72.2803 GPRESSAVG: 2911200 12.6307 -30.0317 -20.3701 -29.4871 25.3166 14.3844 -21.678 14.5374 -71.1818 TIMING: 2911200 CPU: 8769, 0.00299852/step Wall: 8769, 0.00299852/step, 1.73981 hours remaining, 208.746094 MB of memory in use. ENERGY: 2911200 778.8427 2093.2615 1941.7432 113.3202 -206392.2498 17833.2724 0.0000 0.0000 34270.4506 -149361.3591 299.2924 -183631.8097 -149270.6621 298.7809 -146.9555 -114.3613 559917.5421 -11.0136 -11.0782 PRESSURE: 2911400 60.6116 -35.4028 -76.0651 -35.4035 106.1 97.3622 -76.0648 97.3621 -299.446 GPRESSURE: 2911400 64.4801 -141.072 -146.52 30.2548 106.72 103.6 -113.953 91.2921 -210.38 PRESSAVG: 2911400 17.7296 13.1634 -17.34 13.1635 -14.9013 15.7988 -17.34 15.7987 -19.9414 GPRESSAVG: 2911400 17.0414 12.5799 -20.5225 13.559 -13.1503 11.7747 -16.1207 16.7933 -21.2464 TIMING: 2911400 CPU: 8769.6, 0.00303435/step Wall: 8769.6, 0.00303435/step, 1.76043 hours remaining, 208.746094 MB of memory in use. ENERGY: 2911400 710.9897 2085.9095 1862.5295 116.8259 -206161.7776 17613.3813 0.0000 0.0000 34491.1903 -149280.9514 301.2201 -183772.1417 -149180.7053 298.4038 -44.2447 -13.0600 558162.4578 -5.7043 -5.7851 PRESSURE: 2911600 -44.8556 113.748 0.0784513 113.748 -14.7484 2.34518 0.0781969 2.34443 -107.22 GPRESSURE: 2911600 -123.487 95.0972 0.194194 49.3061 23.2557 12.7712 -54.4862 -6.98196 16.6931 PRESSAVG: 2911600 -4.29337 -4.48459 51.5853 -4.48454 34.2114 -41.6713 51.5852 -41.6711 -32.035 GPRESSAVG: 2911600 -4.32834 -3.44275 53.5832 -4.89033 34.5564 -37.2477 50.8605 -43.8984 -32.1399 TIMING: 2911600 CPU: 8770.2, 0.00298217/step Wall: 8770.2, 0.00298217/step, 1.72999 hours remaining, 208.746094 MB of memory in use. ENERGY: 2911600 749.5383 2118.8575 1905.1385 95.2321 -206296.2343 17743.4683 0.0000 0.0000 34347.0216 -149336.9781 299.9611 -183683.9997 -149242.6001 299.6848 -55.6080 -27.8460 558187.4254 -0.7057 -0.6373 PRESSURE: 2911800 -111.78 111.512 8.17303 111.513 -55.2863 219.305 8.17386 219.304 -209.329 GPRESSURE: 2911800 -135.164 88.9411 47.1957 161.459 28.5174 248.607 55.8565 214.871 -172.516 PRESSAVG: 2911800 9.6967 -12.9568 -7.98796 -12.9568 -17.5073 12.0716 -7.98807 12.0716 3.90079 GPRESSAVG: 2911800 10.3431 -11.3093 -6.86153 -14.0512 -18.6609 8.42312 -7.55593 14.0178 3.72547 TIMING: 2911800 CPU: 8770.79, 0.0029615/step Wall: 8770.79, 0.0029615/step, 1.71784 hours remaining, 208.746094 MB of memory in use. ENERGY: 2911800 786.6915 2096.1042 1917.7313 113.0154 -206349.3573 17842.3178 0.0000 0.0000 34276.8202 -149316.6770 299.3480 -183593.4972 -149215.1015 298.7912 -125.4650 -93.0543 558538.3639 -1.3033 -1.5308 PRESSURE: 2912000 140.363 -31.1806 69.7322 -31.1802 -232.854 10.5745 69.7323 10.5754 24.1194 GPRESSURE: 2912000 174.171 -60.8755 115.637 -92.0382 -168.23 19.9684 26.9569 22.0525 17.5118 PRESSAVG: 2912000 5.43828 14.8201 33.633 14.8201 -81.0633 70.9618 33.633 70.9619 64.0754 GPRESSAVG: 2912000 5.79975 14.1259 32.9141 14.2994 -81.3226 72.1151 34.5714 69.2658 63.8113 TIMING: 2912000 CPU: 8771.39, 0.00298659/step Wall: 8771.39, 0.00298659/step, 1.73222 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: 2912000 770.6311 2070.5175 1933.3796 110.6523 -206272.4480 17551.0940 0.0000 0.0000 34460.5323 -149375.6412 300.9524 -183836.1734 -149286.4043 299.1105 -22.7907 7.8174 555332.8540 -3.8499 -3.9038 PRESSURE: 2912200 -99.648 -175.71 22.7028 -175.71 -52.0406 93.9027 22.7033 93.9006 21.8204 GPRESSURE: 2912200 -90.7418 -139.507 1.36789 -179.61 14.5187 156.754 62.7425 36.3401 31.1177 PRESSAVG: 2912200 2.69408 -8.52608 36.9387 -8.52599 -58.8099 26.9868 36.9387 26.9868 107.976 GPRESSAVG: 2912200 1.86758 -9.77081 36.0952 -6.99765 -58.2765 28.4307 36.6993 27.1009 107.866 TIMING: 2912200 CPU: 8771.99, 0.00298597/step Wall: 8771.99, 0.00298597/step, 1.7317 hours remaining, 208.746094 MB of memory in use. ENERGY: 2912200 745.6542 2125.6041 1898.2022 100.8514 -206279.9678 17787.1346 0.0000 0.0000 34212.9538 -149409.5674 298.7902 -183622.5212 -149313.0524 298.7565 -43.2894 -15.0352 558071.8201 17.2868 17.1523 LDB: ============= START OF LOAD BALANCING ============== 8775.5 LDB: ============== END OF LOAD BALANCING =============== 8775.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8775.51 LDB: ============= START OF LOAD BALANCING ============== 8775.8 LDB: Largest compute 4772 load 0.028251 is 23.9% of average load 0.118104 LDB: Average compute 0.001730 is 1.5% of average load 0.118104 LDB: TIME 8775.81 LOAD: AVG 0.118104 MAX 0.205628 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.281 MB LDB: TIME 8775.81 LOAD: AVG 0.118104 MAX 0.205628 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.484 MB LDB: TIME 8775.81 LOAD: AVG 0.118104 MAX 0.205628 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.484 MB LDB: ============== END OF LOAD BALANCING =============== 8775.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8775.81 PRESSURE: 2912400 -179.948 -7.07572 39.8089 -7.07532 -94.2105 56.6719 39.8095 56.6722 72.8985 GPRESSURE: 2912400 -160.378 -7.47501 96.9638 -19.22 -53.0838 93.3137 -37.6138 16.7992 103.66 PRESSAVG: 2912400 -16.5573 -30.4422 17.3268 -30.442 -60.8888 41.6545 17.3268 41.6545 59.9388 GPRESSAVG: 2912400 -14.3448 -29.7716 17.4717 -30.3567 -60.6714 42.4818 17.5348 42.1758 57.9593 TIMING: 2912400 CPU: 8772.6, 0.00305281/step Wall: 8772.6, 0.00305281/step, 1.77029 hours remaining, 210.289062 MB of memory in use. ENERGY: 2912400 755.8745 2129.3923 1915.5443 117.9635 -206125.3973 17776.6318 0.0000 0.0000 34112.9011 -149317.0897 297.9165 -183429.9908 -149218.5482 298.4675 -67.0868 -36.6006 557360.5731 -5.8358 -5.6856 PRESSURE: 2912600 -136.582 51.3453 -20.3694 51.3453 -238.381 -40.6896 -20.3693 -40.6883 -155.453 GPRESSURE: 2912600 -87.8074 33.8906 3.33973 29.5022 -184.777 -95.9298 35.6424 9.58513 -151.624 PRESSAVG: 2912600 9.38702 -32.0128 28.5915 -32.0128 -67.1041 5.7705 28.5915 5.77048 27.4226 GPRESSAVG: 2912600 8.80725 -32.3451 28.2707 -32.049 -67.6048 5.28918 29.6282 6.22889 28.7035 TIMING: 2912600 CPU: 8773.2, 0.00299608/step Wall: 8773.2, 0.00299608/step, 1.73723 hours remaining, 210.433594 MB of memory in use. ENERGY: 2912600 751.4028 2143.4475 1928.2875 115.1432 -206095.9501 17528.5541 0.0000 0.0000 34369.2831 -149259.8321 300.1555 -183629.1152 -149158.7377 298.8860 -176.8052 -141.4028 556690.9451 -10.0982 -10.0313 PRESSURE: 2912800 -44.308 -36.4767 -65.7044 -36.4763 -9.78385 52.9979 -65.7043 52.9991 -125.148 GPRESSURE: 2912800 26.5595 -44.3252 -74.3279 35.7422 9.16204 87.6399 -95.3386 -36.5564 -120.151 PRESSAVG: 2912800 -21.8288 -17.0424 -3.17073 -17.0424 28.2377 2.32889 -3.17074 2.32898 31.6953 GPRESSAVG: 2912800 -22.514 -17.0953 -3.14958 -18.0572 29.5856 3.2354 -5.34002 0.550844 30.6699 TIMING: 2912800 CPU: 8773.79, 0.0029741/step Wall: 8773.79, 0.0029741/step, 1.72431 hours remaining, 210.433594 MB of memory in use. ENERGY: 2912800 736.3106 2103.6258 1918.1405 104.1821 -206213.9961 17686.1725 0.0000 0.0000 34427.6219 -149237.9427 300.6650 -183665.5646 -149142.8121 298.8566 -59.7466 -28.1431 558224.3069 12.7014 12.5805 PRESSURE: 2913000 70.7116 13.5036 -63.1476 13.503 -51.8192 75.4875 -63.1467 75.4868 -168.504 GPRESSURE: 2913000 100.289 60.8699 5.64008 -10.7642 -0.919363 81.1206 -44.7254 -5.22164 -169.887 PRESSAVG: 2913000 12.3413 4.59964 3.276 4.59956 -2.5235 36.6244 3.27596 36.6244 -23.2659 GPRESSAVG: 2913000 12.2689 6.42207 4.44309 4.89109 -4.22174 34.7096 3.47935 36.8323 -21.6768 TIMING: 2913000 CPU: 8774.39, 0.00298698/step Wall: 8774.39, 0.00298698/step, 1.73162 hours remaining, 210.433594 MB of memory in use. ENERGY: 2913000 783.0869 2124.6639 1929.9897 110.7794 -206433.7325 17973.9704 0.0000 0.0000 34307.3048 -149203.9373 299.6142 -183511.2422 -149108.4977 299.6719 -49.8704 -23.5057 558455.1817 -4.4827 -4.5432 PRESSURE: 2913200 51.0227 -14.7534 84.3858 -14.7527 46.7375 -52.0817 84.3853 -52.0818 146.403 GPRESSURE: 2913200 68.2155 -41.6076 139.222 5.02507 63.5589 -150.158 57.231 -50.8473 201.651 PRESSAVG: 2913200 11.6878 -15.5929 3.03411 -15.5929 -34.0328 35.9744 3.0341 35.9744 7.22715 GPRESSAVG: 2913200 12.7753 -17.5347 3.06822 -15.3383 -34.297 36.0981 1.94096 34.9716 6.6025 TIMING: 2913200 CPU: 8774.99, 0.00299961/step Wall: 8774.99, 0.00299961/step, 1.73877 hours remaining, 210.433594 MB of memory in use. ENERGY: 2913200 723.7996 2056.3073 1936.7472 110.5075 -206491.4072 18027.5242 0.0000 0.0000 34157.0409 -149479.4805 298.3019 -183636.5215 -149386.4216 299.0919 81.3877 111.1416 558478.5108 -5.0393 -4.9731 PRESSURE: 2913400 -43.6033 57.7627 211.864 57.762 -289.904 -55.862 211.864 -55.8613 129.306 GPRESSURE: 2913400 -48.9634 58.2193 134.232 43.8936 -224.34 -19.5856 209.133 -38.6418 172.279 PRESSAVG: 2913400 -25.6981 -14.7286 42.4578 -14.7286 -26.7937 -6.57887 42.4577 -6.57889 39.1038 GPRESSAVG: 2913400 -26.8951 -13.1344 41.4561 -14.0961 -25.6044 -4.41568 43.0609 -4.69306 39.3764 TIMING: 2913400 CPU: 8775.59, 0.00298049/step Wall: 8775.59, 0.00298049/step, 1.72752 hours remaining, 210.433594 MB of memory in use. ENERGY: 2913400 766.5779 2093.9645 1929.4287 125.2775 -206477.1856 17799.8580 0.0000 0.0000 34231.4938 -149530.5851 298.9521 -183762.0789 -149429.6145 299.0445 -68.0670 -33.6748 557642.3475 -4.4627 -4.3744 PRESSURE: 2913600 -264.662 -12.59 219.14 -12.5901 -106.763 124.801 219.141 124.801 -112.711 GPRESSURE: 2913600 -215.506 -46.43 169.712 -80.9281 -69.6531 101.92 217.361 117.38 -103.87 PRESSAVG: 2913600 -3.80095 11.3724 -8.84459 11.3725 14.3286 11.1661 -8.84464 11.166 16.0091 GPRESSAVG: 2913600 -5.29638 10.9188 -9.69437 9.83108 15.4082 11.4838 -5.57202 9.32694 16.7187 TIMING: 2913600 CPU: 8776.19, 0.00300408/step Wall: 8776.19, 0.00300408/step, 1.74103 hours remaining, 210.433594 MB of memory in use. ENERGY: 2913600 758.9856 2088.6152 1928.0781 115.1541 -206086.9251 17741.1562 0.0000 0.0000 34118.9702 -149335.9656 297.9695 -183454.9358 -149244.8252 298.8276 -161.3786 -129.6763 558214.9116 8.8456 8.9435 PRESSURE: 2913800 -5.13612 26.3655 226.091 26.364 -12.1548 4.20154 226.092 4.20142 127.681 GPRESSURE: 2913800 53.7961 -2.91804 223.568 -5.02676 -25.3409 100.341 237.049 33.3398 178.616 PRESSAVG: 2913800 -15.462 47.4009 51.0744 47.401 28.2281 21.2084 51.0744 21.2085 -62.6122 GPRESSAVG: 2913800 -13.9383 45.7019 51.9119 48.5658 27.0024 22.008 48.5786 21.2772 -63.4183 TIMING: 2913800 CPU: 8776.78, 0.00299397/step Wall: 8776.78, 0.00299397/step, 1.735 hours remaining, 210.445312 MB of memory in use. ENERGY: 2913800 767.9976 2140.8195 1940.9414 117.4943 -206719.3330 18127.1274 0.0000 0.0000 33941.3801 -149683.5727 296.4185 -183624.9529 -149594.8156 298.9341 36.7968 69.0239 556723.7663 -16.6154 -16.7847 PRESSURE: 2914000 111.921 -66.8707 -39.9756 -66.8699 142.725 69.1266 -39.9752 69.1274 -51.5435 GPRESSURE: 2914000 125.6 15.8342 33.8721 -42.4013 181.496 99.8964 -143.181 19.6486 -8.06696 PRESSAVG: 2914000 -29.6959 23.7963 18.4316 23.7963 -30.672 18.9222 18.4315 18.9223 51.3764 GPRESSAVG: 2914000 -28.7804 27.4743 19.4194 23.3143 -31.0766 15.4322 16.1852 21.335 50.8714 TIMING: 2914000 CPU: 8777.38, 0.00297064/step Wall: 8777.38, 0.00297064/step, 1.72132 hours remaining, 210.445312 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: 2914000 719.6862 2119.8082 1933.2197 115.6403 -206768.8416 18184.3023 0.0000 0.0000 34225.3912 -149470.7938 298.8989 -183696.1849 -149365.3270 298.1416 67.7009 99.6765 558177.1729 -2.9971 -2.9952 PRESSURE: 2914200 -424.165 -88.6303 -5.00215 -88.6292 -213.406 51.9557 -5.00222 51.9554 -216.866 GPRESSURE: 2914200 -300.488 -93.6 49.1406 0.247015 -236.805 -30.0766 15.8029 96.875 -228.509 PRESSAVG: 2914200 23.0237 -21.7275 28.0715 -21.7275 13.2388 68.8008 28.0715 68.8008 -59.5718 GPRESSAVG: 2914200 22.3345 -21.2732 28.5058 -25.4984 14.3123 69.5999 30.164 66.9747 -60.0387 TIMING: 2914200 CPU: 8777.98, 0.0029809/step Wall: 8777.98, 0.0029809/step, 1.7271 hours remaining, 210.445312 MB of memory in use. ENERGY: 2914200 784.0151 2089.6734 1932.6986 113.5533 -205957.0355 17478.8073 0.0000 0.0000 34123.2180 -149435.0699 298.0065 -183558.2879 -149327.9394 297.7694 -284.8123 -255.2674 559410.3106 -7.7698 -7.7973 PRESSURE: 2914400 -3.00491 26.4955 -19.9308 26.497 -252.996 8.97223 -19.9301 8.9724 79.8252 GPRESSURE: 2914400 -23.0182 19.1668 -33.891 43.4516 -205.485 59.8602 -1.60695 36.2004 146.186 PRESSAVG: 2914400 33.9668 52.1973 60.265 52.1974 -15.0548 -43.4084 60.2649 -43.4085 -14.605 GPRESSAVG: 2914400 33.2098 48.7033 57.9023 56.5611 -14.4603 -43.8564 59.8632 -40.9224 -14.4978 TIMING: 2914400 CPU: 8778.57, 0.00298291/step Wall: 8778.57, 0.00298291/step, 1.7281 hours remaining, 210.445312 MB of memory in use. ENERGY: 2914400 763.4969 2136.0997 1914.9847 124.7907 -206458.0608 17927.0402 0.0000 0.0000 34204.8360 -149386.8126 298.7193 -183591.6486 -149285.8343 298.3353 -58.7252 -27.4390 559797.2772 1.4357 1.4172 PRESSURE: 2914600 -142.299 -2.0486 19.7732 -2.04842 167.36 -6.23392 19.7731 -6.23421 147.992 GPRESSURE: 2914600 -55.885 -9.07026 93.5174 9.34084 208.786 -45.6257 24.5899 -78.9345 131.159 PRESSAVG: 2914600 -2.60534 10.656 72.436 10.656 -71.4903 25.9711 72.4359 25.9712 55.8698 GPRESSAVG: 2914600 -2.1122 10.9333 71.8775 9.82224 -72.9095 25.9575 73.8071 25.8448 56.7592 TIMING: 2914600 CPU: 8779.16, 0.00296378/step Wall: 8779.16, 0.00296378/step, 1.71685 hours remaining, 210.445312 MB of memory in use. ENERGY: 2914600 732.1314 2126.1139 1924.0102 108.6752 -206429.9898 17847.8275 0.0000 0.0000 34337.4861 -149353.7456 299.8778 -183691.2317 -149260.8678 298.5581 57.6843 94.6866 558543.8212 -6.0753 -6.0875 PRESSURE: 2914800 -56.4907 30.8631 32.7742 30.8624 -148.369 115.333 32.7752 115.333 -129.368 GPRESSURE: 2914800 -49.2869 -45.9742 -112.425 45.4661 -117.056 142.349 106.885 77.853 -62.3955 PRESSAVG: 2914800 -36.4427 50.451 50.7493 50.451 -47.9825 -41.6874 50.7493 -41.6874 74.9342 GPRESSAVG: 2914800 -36.8719 51.5789 51.1244 49.9387 -47.9053 -40.7531 50.6443 -43.2657 75.2453 TIMING: 2914800 CPU: 8779.76, 0.00299331/step Wall: 8779.76, 0.00299331/step, 1.73379 hours remaining, 210.445312 MB of memory in use. ENERGY: 2914800 757.3222 2045.8993 1911.9894 111.1243 -206193.0525 17660.8878 0.0000 0.0000 34342.9445 -149362.8850 299.9255 -183705.8295 -149262.6883 298.8824 -111.4093 -76.2461 557588.1644 -3.1637 -3.1773 PRESSURE: 2915000 -34.9433 41.4393 71.2646 41.4392 115.759 -118.943 71.2647 -118.944 -107.375 GPRESSURE: 2915000 4.26944 2.87089 108.543 5.4552 119.571 -11.0777 30.9584 -106.685 -43.2923 PRESSAVG: 2915000 85.2009 53.726 -1.04916 53.726 -22.7844 60.8036 -1.04921 60.8037 -54.5679 GPRESSAVG: 2915000 85.5888 53.6263 0.837792 53.2099 -21.9241 59.8592 -3.27941 60.7099 -55.2738 TIMING: 2915000 CPU: 8780.35, 0.00294746/step Wall: 8780.35, 0.00294746/step, 1.70707 hours remaining, 210.445312 MB of memory in use. ENERGY: 2915000 742.4684 2114.0035 1933.7020 112.7299 -206212.1478 17813.7062 0.0000 0.0000 34020.4390 -149475.0987 297.1090 -183495.5377 -149372.8294 299.0929 -8.8532 26.8495 556936.6920 2.6162 2.7970 PRESSURE: 2915200 52.6381 129.879 -111.849 129.88 -89.7037 -81.7456 -111.849 -81.7458 -68.1413 GPRESSURE: 2915200 19.3214 74.535 -64.1282 37.1132 -48.3178 -60.519 -95.5793 -124.746 12.5914 PRESSAVG: 2915200 10.9156 -30.2415 28.6064 -30.2415 26.3045 5.43724 28.6065 5.43737 -31.4254 GPRESSAVG: 2915200 10.4842 -32.3004 27.4296 -30.641 26.8497 5.03528 30.1033 4.21923 -31.8097 TIMING: 2915200 CPU: 8780.95, 0.00298243/step Wall: 8780.95, 0.00298243/step, 1.72716 hours remaining, 210.445312 MB of memory in use. ENERGY: 2915200 753.1337 2124.8567 1930.3563 116.7935 -206407.0467 17846.4069 0.0000 0.0000 34145.6700 -149489.8295 298.2026 -183635.4995 -149394.5870 298.4079 -35.0690 -5.4683 556701.0780 1.9316 1.8414 PRESSURE: 2915400 -197.804 3.55809 -36.6386 3.55812 180.424 141.222 -36.6385 141.223 -16.6529 GPRESSURE: 2915400 -144.327 12.5775 45.8886 69.9837 174.704 136.155 -98.5526 159.295 37.8199 PRESSAVG: 2915400 9.52778 -50.4377 -7.27043 -50.4377 43.1204 -19.8071 -7.27051 -19.807 -38.9113 GPRESSAVG: 2915400 11.99 -50.4967 -6.57535 -50.0859 41.5129 -20.1728 -6.88317 -21.0173 -39.7372 TIMING: 2915400 CPU: 8781.55, 0.00299769/step Wall: 8781.55, 0.00299769/step, 1.73583 hours remaining, 210.445312 MB of memory in use. ENERGY: 2915400 745.2085 2131.0062 1941.8663 115.3318 -206309.1671 17893.0224 0.0000 0.0000 34007.6473 -149475.0847 296.9972 -183482.7319 -149378.2008 298.3171 -11.3443 22.7324 557263.9470 4.5790 4.5886 PRESSURE: 2915600 110.352 -88.2113 45.1301 -88.211 210.187 -192.655 45.1317 -192.656 -139.228 GPRESSURE: 2915600 136.677 -89.0571 -19.0707 -136.254 240.422 -185.52 14.9046 -140.927 -98.6736 PRESSAVG: 2915600 11.0359 4.57393 -40.3878 4.574 71.3555 29.9492 -40.3877 29.949 -74.7823 GPRESSAVG: 2915600 10.2421 4.49456 -40.1727 5.92068 71.2852 28.4046 -40.7848 31.9317 -73.9524 TIMING: 2915600 CPU: 8782.15, 0.00298845/step Wall: 8782.15, 0.00298845/step, 1.73031 hours remaining, 210.445312 MB of memory in use. ENERGY: 2915600 782.1619 2053.2693 1960.3393 108.6680 -206645.9228 17910.6122 0.0000 0.0000 34319.7866 -149511.0856 299.7232 -183830.8722 -149414.0134 298.6355 60.4371 92.8086 555916.3657 2.5364 2.5249 PRESSURE: 2915800 56.982 109.984 -94.2127 109.984 24.1145 -188.901 -94.2129 -188.902 18.754 GPRESSURE: 2915800 120.816 129.856 -133.62 170.724 22.8801 -79.9144 -70.5328 -123.521 58.8445 PRESSAVG: 2915800 -5.78576 -40.252 -0.737295 -40.252 52.8304 27.8567 -0.73724 27.8568 -45.66 GPRESSAVG: 2915800 -6.51141 -39.7736 1.19986 -40.6152 54.0161 29.4576 -2.76662 29.5429 -46.1685 TIMING: 2915800 CPU: 8782.74, 0.00298558/step Wall: 8782.74, 0.00298558/step, 1.72848 hours remaining, 210.445312 MB of memory in use. ENERGY: 2915800 745.0820 2077.3988 1946.6800 125.2032 -206218.5042 17848.4653 0.0000 0.0000 34061.1709 -149414.5040 297.4647 -183475.6749 -149315.2589 298.8065 33.2835 67.5134 558007.2656 0.4615 0.4454 PRESSURE: 2916000 133.453 -80.1909 -50.8684 -80.1904 -36.3263 -89.6708 -50.8684 -89.671 -130.534 GPRESSURE: 2916000 81.695 -74.4007 -75.4846 -93.3678 18.5753 -32.2426 68.5801 -114.983 -33.2797 PRESSAVG: 2916000 25.9951 -26.2889 -18.3207 -26.2889 30.3786 21.4441 -18.3207 21.4441 -28.5041 GPRESSAVG: 2916000 26.3083 -26.7282 -18.1221 -26.1506 30.0843 21.9818 -17.8414 20.3335 -28.9605 TIMING: 2916000 CPU: 8783.35, 0.00300875/step Wall: 8783.35, 0.00300875/step, 1.74173 hours remaining, 210.445312 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: 2916000 757.6901 2035.6517 1935.6361 128.1653 -206248.0489 17859.2081 0.0000 0.0000 34234.9906 -149296.7071 298.9827 -183531.6977 -149204.5349 298.3178 -11.1357 22.3302 557024.0988 9.2899 9.1440 PRESSURE: 2916200 -104.257 34.0841 -56.7825 34.0831 47.8471 95.1083 -56.7823 95.1069 41.5518 GPRESSURE: 2916200 -79.1361 22.1217 -77.9514 77.6257 88.0315 36.0785 -60.9663 145.14 71.4878 PRESSAVG: 2916200 -52.5554 -30.2391 0.319238 -30.2391 -21.6607 -0.0456239 0.319144 -0.0457054 32.4499 GPRESSAVG: 2916200 -53.2044 -29.6585 0.0758883 -29.9647 -20.4974 0.734212 1.44887 0.870488 31.9379 TIMING: 2916200 CPU: 8783.95, 0.00300165/step Wall: 8783.95, 0.00300165/step, 1.73745 hours remaining, 210.445312 MB of memory in use. ENERGY: 2916200 760.6358 2080.8195 1944.9382 113.3681 -206538.2828 17967.1351 0.0000 0.0000 34323.1312 -149348.2550 299.7524 -183671.3862 -149254.7634 298.4972 -4.9528 26.7944 556994.3238 -13.9221 -13.9213 LDB: ============= START OF LOAD BALANCING ============== 8787.46 LDB: ============== END OF LOAD BALANCING =============== 8787.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8787.46 LDB: ============= START OF LOAD BALANCING ============== 8787.76 LDB: Largest compute 4772 load 0.029745 is 25.2% of average load 0.118039 LDB: Average compute 0.001725 is 1.5% of average load 0.118039 LDB: TIME 8787.77 LOAD: AVG 0.118039 MAX 0.20633 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.379 MB LDB: TIME 8787.77 LOAD: AVG 0.118039 MAX 0.20633 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.582 MB LDB: TIME 8787.77 LOAD: AVG 0.118039 MAX 0.20633 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.582 MB LDB: ============== END OF LOAD BALANCING =============== 8787.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8787.77 PRESSURE: 2916400 -19.3393 -14.7165 -76.0685 -14.7174 -52.0285 65.3975 -76.0677 65.3997 267.513 GPRESSURE: 2916400 -22.0542 -105.648 -82.0649 66.6463 4.9526 120.674 -150.879 23.0015 296.547 PRESSAVG: 2916400 30.5262 -52.5159 -25.7096 -52.5159 -17.4937 21.4218 -25.7096 21.422 -1.77317 GPRESSAVG: 2916400 31.0332 -53.5858 -25.379 -53.91 -18.9708 21.9485 -27.93 19.1481 -1.26398 TIMING: 2916400 CPU: 8784.56, 0.00305442/step Wall: 8784.56, 0.00305442/step, 1.76783 hours remaining, 210.281250 MB of memory in use. ENERGY: 2916400 733.6931 2145.2041 1932.1286 121.1315 -206683.6340 18032.9865 0.0000 0.0000 34300.0821 -149418.4080 299.5511 -183718.4901 -149319.6657 299.3847 65.3819 93.1484 556435.3224 3.7531 3.5995 PRESSURE: 2916600 -128.948 125.087 -48.991 125.087 150.249 18.6297 -48.9904 18.6305 -264.719 GPRESSURE: 2916600 -103.48 113.385 -65.5608 145.746 167.917 38.1003 -2.30861 -36.1084 -218.901 PRESSAVG: 2916600 -12.8889 -49.6183 6.89818 -49.6183 -3.44477 36.8343 6.89817 36.8343 70.1925 GPRESSAVG: 2916600 -13.9268 -48.2986 6.57494 -48.5712 -2.8371 35.5191 9.57069 38.1638 70.9556 TIMING: 2916600 CPU: 8785.16, 0.00299461/step Wall: 8785.16, 0.00299461/step, 1.73305 hours remaining, 210.945312 MB of memory in use. ENERGY: 2916600 755.1817 2190.7577 1932.4937 110.2910 -206332.3359 17806.5383 0.0000 0.0000 34099.5083 -149437.5652 297.7995 -183537.0735 -149337.3005 299.3079 -81.1391 -51.4878 558205.1085 17.9529 18.0639 PRESSURE: 2916800 -35.8982 67.9284 -137.129 67.9282 -122.158 -37.1042 -137.128 -37.1046 88.1698 GPRESSURE: 2916800 -19.5843 73.3125 -149.739 97.319 -69.7867 -75.3877 -164.088 44.9821 113.77 PRESSAVG: 2916800 -0.857747 13.028 -0.281695 13.0279 -21.2096 29.4795 -0.28155 29.4796 20.4172 GPRESSAVG: 2916800 -0.992486 10.5877 -2.7207 13.7681 -20.5242 27.6846 0.19224 31.4805 19.5632 TIMING: 2916800 CPU: 8785.75, 0.00298949/step Wall: 8785.75, 0.00298949/step, 1.72992 hours remaining, 210.945312 MB of memory in use. ENERGY: 2916800 751.6998 2144.8689 1931.0326 110.1068 -206142.0834 17706.7362 0.0000 0.0000 34215.2192 -149282.4199 298.8100 -183497.6391 -149187.9177 298.7403 -23.2955 8.1331 557765.2053 -0.5500 -0.6512 PRESSURE: 2917000 44.7145 -48.668 -27.8855 -48.6676 170.624 16.6399 -27.8839 16.6417 46.0664 GPRESSURE: 2917000 97.1829 40.9464 -17.8592 -23.9043 181.719 -4.9276 -27.5995 13.2018 85.7631 PRESSAVG: 2917000 -11.8049 15.9708 10.486 15.9709 52.4352 1.47053 10.4861 1.47044 -27.8568 GPRESSAVG: 2917000 -11.463 16.4648 10.1551 15.5469 52.2517 1.72915 11.2071 0.103839 -28.309 TIMING: 2917000 CPU: 8786.35, 0.00299692/step Wall: 8786.35, 0.00299692/step, 1.73405 hours remaining, 210.945312 MB of memory in use. ENERGY: 2917000 782.2255 2115.3242 1902.2612 115.1903 -206764.7985 18098.4074 0.0000 0.0000 34308.8515 -149442.5384 299.6277 -183751.3899 -149340.3104 299.2568 87.1348 121.5550 556159.2485 4.2579 4.1599 PRESSURE: 2917200 253.347 17.1171 10.4716 17.1161 5.0338 -77.3209 10.4701 -77.3201 418.642 GPRESSURE: 2917200 287.083 17.0693 56.2522 55.2357 34.5224 -84.8858 -23.2205 -112.165 443.273 PRESSAVG: 2917200 -18.9201 1.19525 -10.9234 1.19531 33.1068 26.2646 -10.9235 26.2646 -43.8182 GPRESSAVG: 2917200 -18.5273 -0.226198 -9.52797 2.31561 32.9073 26.3076 -11.4346 25.2049 -44.0838 TIMING: 2917200 CPU: 8786.96, 0.00301608/step Wall: 8786.96, 0.00301608/step, 1.74497 hours remaining, 210.945312 MB of memory in use. ENERGY: 2917200 743.3701 2094.1669 1910.1123 108.3600 -206592.5712 18157.6228 0.0000 0.0000 34283.0600 -149295.8791 299.4025 -183578.9391 -149199.9265 299.3587 225.6744 254.9596 556412.5799 -9.8772 -9.9012 PRESSURE: 2917400 -215.59 67.2486 10.3277 67.2503 -101.509 94.0095 10.3276 94.0105 -139.921 GPRESSURE: 2917400 -199.186 85.3984 6.99423 -47.2829 -88.4699 75.9027 -76.2939 127.473 -60.7003 PRESSAVG: 2917400 -4.00902 20.5039 81.2863 20.5039 35.8441 -22.9217 81.2862 -22.9217 -45.9984 GPRESSAVG: 2917400 -4.1794 21.5663 81.915 20.6887 34.8123 -20.4533 80.63 -22.9189 -44.4849 TIMING: 2917400 CPU: 8787.56, 0.00300482/step Wall: 8787.56, 0.00300482/step, 1.73829 hours remaining, 210.945312 MB of memory in use. ENERGY: 2917400 744.1949 2124.5594 1910.8816 123.4594 -205844.8675 17431.5640 0.0000 0.0000 34260.9057 -149249.3024 299.2090 -183510.2082 -149155.1622 299.2588 -152.3396 -116.1189 557524.6923 -4.7211 -4.6173 PRESSURE: 2917600 130.772 34.6505 70.835 34.6507 -55.3502 -3.06226 70.8358 -3.06183 -261.62 GPRESSURE: 2917600 170.036 31.3655 90.1011 98.4923 7.09322 129.868 28.9582 -21.4225 -260.529 PRESSAVG: 2917600 -20.8092 17.2978 -20.251 17.2978 62.6724 23.3535 -20.2508 23.3535 -19.9483 GPRESSAVG: 2917600 -23.1386 18.1953 -19.8616 14.522 63.7688 22.6895 -20.526 22.486 -18.5402 TIMING: 2917600 CPU: 8788.15, 0.00298554/step Wall: 8788.15, 0.00298554/step, 1.72697 hours remaining, 210.945312 MB of memory in use. ENERGY: 2917600 765.6792 2040.2001 1919.0178 126.3233 -206484.0968 17861.5062 0.0000 0.0000 34483.9951 -149287.3750 301.1573 -183771.3701 -149185.6021 299.0076 -62.0660 -27.8000 556076.2962 7.3050 7.3633 PRESSURE: 2917800 84.2452 32.0858 24.2988 32.0856 -130.966 -128.1 24.2998 -128.099 64.6516 GPRESSURE: 2917800 130.425 -13.3913 38.5764 70.3457 -64.4985 -143.722 -56.5479 -115.326 56.5756 PRESSAVG: 2917800 2.14997 23.4594 -11.6454 23.4595 8.29725 -25.5894 -11.6455 -25.5894 -14.254 GPRESSAVG: 2917800 3.62067 22.6155 -12.7961 25.1116 8.49723 -25.9244 -10.9325 -24.1203 -16.033 TIMING: 2917800 CPU: 8788.75, 0.00300463/step Wall: 8788.75, 0.00300463/step, 1.73784 hours remaining, 210.945312 MB of memory in use. ENERGY: 2917800 745.3307 2142.9077 1923.8692 117.6529 -206003.0596 17510.5912 0.0000 0.0000 34281.7125 -149280.9955 299.3907 -183562.7080 -149180.5758 298.6213 5.9770 40.8342 556314.2767 -1.2689 -1.3050 PRESSURE: 2918000 -64.0365 -39.3797 86.8764 -39.3788 -219.395 -5.547 86.8769 -5.5478 13.2151 GPRESSURE: 2918000 -10.8952 -24.5071 51.821 -21.59 -116.935 132.694 80.9624 -27.1448 -36.4945 PRESSAVG: 2918000 25.3972 41.4546 5.0115 41.4547 -61.5482 -75.8939 5.01143 -75.8939 13.0825 GPRESSAVG: 2918000 25.1035 43.0614 3.97386 40.7955 -62.0795 -75.7554 4.89987 -76.0047 13.9053 TIMING: 2918000 CPU: 8789.36, 0.00300337/step Wall: 8789.36, 0.00300337/step, 1.73695 hours remaining, 210.945312 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: 2918000 762.1279 2098.2290 1942.1935 105.0813 -206319.0396 17757.1079 0.0000 0.0000 34376.5829 -149277.7171 300.2192 -183654.3000 -149176.4743 299.8564 -90.0720 -54.7750 556827.6539 -7.6895 -7.6902 PRESSURE: 2918200 188.046 64.661 74.6736 64.6616 404.014 -173.296 74.6737 -173.295 225.886 GPRESSURE: 2918200 224.768 32.3045 76.9548 -13.2606 390.399 -143.275 96.5994 -164.311 298.764 PRESSAVG: 2918200 29.2202 14.1968 14.459 14.1967 1.33104 -53.8929 14.4591 -53.8928 -26.4286 GPRESSAVG: 2918200 31.1708 13.2401 16.0117 16.2768 0.884296 -54.2583 14.269 -54.5321 -28.0778 TIMING: 2918200 CPU: 8789.96, 0.00301261/step Wall: 8789.96, 0.00301261/step, 1.74212 hours remaining, 210.945312 MB of memory in use. ENERGY: 2918200 740.5717 2127.8962 1918.8248 111.9400 -206515.8698 18127.8663 0.0000 0.0000 34295.3310 -149193.4397 299.5097 -183488.7707 -149098.6405 298.9599 272.6485 304.6436 555980.4954 1.3742 1.3258 PRESSURE: 2918400 142.582 -57.4986 -70.2605 -57.4979 46.7834 217.489 -70.2604 217.489 254.432 GPRESSURE: 2918400 135.126 -116.189 -30.6147 25.2408 89.1543 142.562 -114.348 244.434 313.851 PRESSAVG: 2918400 -6.41148 18.8556 -16.0444 18.8557 56.4893 -5.32956 -16.0445 -5.32962 -21.2239 GPRESSAVG: 2918400 -7.79744 18.758 -16.9251 16.932 57.7418 -6.94469 -16.5418 -4.57606 -21.3618 TIMING: 2918400 CPU: 8790.57, 0.00303977/step Wall: 8790.57, 0.00303977/step, 1.75766 hours remaining, 210.945312 MB of memory in use. ENERGY: 2918400 735.9800 2126.2780 1961.4914 118.1699 -206379.3138 17935.3811 0.0000 0.0000 34213.4876 -149288.5259 298.7949 -183502.0134 -149193.8206 299.3803 147.9323 179.3773 557379.8488 9.6180 9.5275 PRESSURE: 2918600 -143.473 -75.4726 103.658 -75.472 134.729 -102.728 103.658 -102.728 -171.805 GPRESSURE: 2918600 -101.726 1.23998 71.4434 -113.668 170.895 -30.6009 97.4544 -136.794 -152.005 PRESSAVG: 2918600 -32.2987 2.17608 2.31317 2.17604 2.92974 38.957 2.31329 38.957 14.5867 GPRESSAVG: 2918600 -31.9374 1.65729 4.68055 2.16473 3.3184 40.8972 1.62252 37.4179 14.3807 TIMING: 2918600 CPU: 8791.16, 0.00298491/step Wall: 8791.16, 0.00298491/step, 1.72578 hours remaining, 210.945312 MB of memory in use. ENERGY: 2918600 759.8062 2076.2496 1897.6448 113.8066 -206364.3993 17716.0842 0.0000 0.0000 34519.7692 -149281.0388 301.4697 -183800.8080 -149177.4908 299.2533 -60.1829 -27.6122 557327.3071 -4.9274 -4.7461 PRESSURE: 2918800 -265.007 -130.74 -156.344 -130.739 -167.984 -105.076 -156.345 -105.074 1.75876 GPRESSURE: 2918800 -266.32 -109.296 -189.801 -135.95 -64.5025 -106.438 -52.2867 -46.3232 7.88631 PRESSAVG: 2918800 -90.8557 -19.3639 9.86113 -19.3638 45.3597 26.973 9.86118 26.973 1.52637 GPRESSAVG: 2918800 -90.1833 -19.4342 7.67286 -18.6417 45.9254 26.2062 12.1594 27.2751 0.328852 TIMING: 2918800 CPU: 8791.77, 0.00304811/step Wall: 8791.77, 0.00304811/step, 1.76215 hours remaining, 210.957031 MB of memory in use. ENERGY: 2918800 785.9513 2116.7276 1936.3103 101.8166 -206155.7886 17765.3415 0.0000 0.0000 34162.7991 -149286.8422 298.3522 -183449.6413 -149187.1793 299.8580 -143.7441 -107.6453 557515.2653 -14.6565 -14.6430 PRESSURE: 2919000 -39.4372 58.4304 253.618 58.4299 161.846 -22.4872 253.617 -22.4865 84.0874 GPRESSURE: 2919000 5.04855 9.7768 258.019 -40.9063 167.04 -96.6148 201.424 -46.7695 124.322 PRESSAVG: 2919000 26.3924 2.75252 1.25582 2.75249 2.53321 17.5542 1.25582 17.5542 -32.6545 GPRESSAVG: 2919000 25.5253 4.33507 2.30836 2.20303 1.28727 17.8639 -1.77267 18.0222 -30.1272 TIMING: 2919000 CPU: 8792.37, 0.00298738/step Wall: 8792.37, 0.00298738/step, 1.72687 hours remaining, 210.957031 MB of memory in use. ENERGY: 2919000 771.2526 2086.4558 1947.5204 126.3277 -206761.0803 18131.1265 0.0000 0.0000 34435.3281 -149263.0692 300.7323 -183698.3974 -149166.6965 299.5028 68.8319 98.8035 556622.1553 -1.2430 -1.1049 PRESSURE: 2919200 79.5462 -24.1789 -34.2649 -24.1785 -179.196 -81.0392 -34.2643 -81.0389 -4.33071 GPRESSURE: 2919200 100.465 30.5841 35.2266 -50.5405 -97.107 -83.1434 -38.6799 -66.4142 -12.2776 PRESSAVG: 2919200 38.6886 -51.2042 -24.9109 -51.2042 -38.2282 -18.9559 -24.911 -18.956 6.60552 GPRESSAVG: 2919200 39.4974 -52.6041 -24.5059 -50.1416 -38.031 -19.2018 -23.0311 -18.8129 5.37712 TIMING: 2919200 CPU: 8792.97, 0.00299892/step Wall: 8792.97, 0.00299892/step, 1.73337 hours remaining, 210.957031 MB of memory in use. ENERGY: 2919200 800.2966 2140.0636 1892.0120 107.8832 -206604.3218 17874.6757 0.0000 0.0000 34498.2203 -149291.1705 301.2815 -183789.3908 -149197.4051 299.7241 -34.6601 -2.9731 556404.0745 2.3553 2.2812 PRESSURE: 2919400 -342.003 -18.1684 -157.391 -18.1697 -197.627 -8.36069 -157.393 -8.36091 -241.63 GPRESSURE: 2919400 -265.114 13.0133 -246.313 -4.52495 -197.467 12.5033 -109.525 30.8807 -222.791 PRESSAVG: 2919400 -96.2879 49.6605 -66.4672 49.6605 35.8294 8.456 -66.4672 8.45606 1.49606 GPRESSAVG: 2919400 -97.5887 49.1735 -69.4305 50.748 38.0146 10.012 -66.2708 9.42978 0.529559 TIMING: 2919400 CPU: 8793.57, 0.0030054/step Wall: 8793.57, 0.0030054/step, 1.73696 hours remaining, 210.957031 MB of memory in use. ENERGY: 2919400 779.8518 2054.0809 1963.0531 114.2413 -206082.4846 17688.3825 0.0000 0.0000 34227.8914 -149254.9836 298.9207 -183482.8750 -149152.9278 300.0021 -260.4199 -228.4572 556735.7960 -19.6541 -19.6815 PRESSURE: 2919600 94.4361 -13.4648 76.0725 -13.465 -401.617 -111.834 76.0726 -111.836 293.111 GPRESSURE: 2919600 112.985 14.3884 32.0719 -41.1622 -339.825 -120.188 76.9701 -157.391 317.606 PRESSAVG: 2919600 -34.6001 -16.577 6.35592 -16.577 -28.9749 16.4905 6.35588 16.4906 37.4627 GPRESSAVG: 2919600 -32.5215 -15.4921 7.59092 -19.1571 -31.3459 15.9017 5.29775 15.0614 38.2834 TIMING: 2919600 CPU: 8794.17, 0.00301263/step Wall: 8794.17, 0.00301263/step, 1.74096 hours remaining, 210.957031 MB of memory in use. ENERGY: 2919600 745.5121 2129.6695 1975.3100 123.8944 -206355.9154 17773.7669 0.0000 0.0000 34460.4710 -149147.2914 300.9519 -183607.7625 -149050.8352 300.0354 -4.6900 30.2551 555679.6355 -8.7041 -8.5280 PRESSURE: 2919800 103.113 27.2827 -64.3658 27.2827 -63.3648 -39.4911 -64.3673 -39.4913 -201.978 GPRESSURE: 2919800 130.659 49.7637 -72.4733 13.5649 -111.385 -50.7973 -95.982 -69.0323 -84.8754 PRESSAVG: 2919800 -42.1017 71.5766 -9.53116 71.5766 15.3197 28.5784 -9.53118 28.5784 46.6091 GPRESSAVG: 2919800 -43.2878 71.168 -9.95337 72.1381 15.3423 28.3114 -8.924 28.4761 48.1467 TIMING: 2919800 CPU: 8794.77, 0.00299997/step Wall: 8794.77, 0.00299997/step, 1.73348 hours remaining, 210.957031 MB of memory in use. ENERGY: 2919800 724.4081 2148.8166 1961.2171 113.4281 -205846.5698 17656.5128 0.0000 0.0000 34091.2332 -149150.9539 297.7272 -183242.1871 -149055.6399 299.9376 -54.0767 -21.8672 556708.6645 6.6090 6.7337 PRESSURE: 2920000 86.4326 37.1146 -166.302 37.1145 -184.285 -69.8342 -166.3 -69.8366 -216.633 GPRESSURE: 2920000 142.067 -6.41873 -166.138 81.3123 -160.379 -31.1244 -138.822 -105.842 -189.482 PRESSAVG: 2920000 69.458 1.69006 -49.2774 1.68997 19.4577 -29.3096 -49.2774 -29.3095 -37.505 GPRESSAVG: 2920000 68.4362 1.71452 -49.3932 3.59514 20.6094 -29.2009 -46.6213 -29.7168 -37.8856 TIMING: 2920000 CPU: 8795.37, 0.00299497/step Wall: 8795.37, 0.00299497/step, 1.73043 hours remaining, 210.957031 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: 2920000 749.5612 2117.3311 1927.9591 113.3162 -206059.9184 17732.1064 0.0000 0.0000 34220.4764 -149199.1679 298.8559 -183419.6444 -149099.3094 299.6105 -104.8285 -69.2647 556597.4605 17.1369 17.0533 PRESSURE: 2920200 -220.77 108.32 60.3035 108.32 -23.1054 -259.392 60.3038 -259.393 -140.538 GPRESSURE: 2920200 -153.666 112.858 3.21629 75.1882 -55.3925 -246.41 54.1403 -198.999 -76.871 PRESSAVG: 2920200 12.3747 30.8845 -22.4402 30.8845 -6.02274 -22.0223 -22.4402 -22.0223 -26.808 GPRESSAVG: 2920200 13.5216 31.3076 -21.636 29.7246 -6.74616 -20.373 -25.4607 -21.9279 -27.6976 TIMING: 2920200 CPU: 8795.98, 0.00304215/step Wall: 8795.98, 0.00304215/step, 1.75752 hours remaining, 210.957031 MB of memory in use. ENERGY: 2920200 777.5768 2086.2878 1914.1041 127.2578 -205841.3748 17508.4270 0.0000 0.0000 34199.1359 -149228.5853 298.6696 -183427.7213 -149130.2419 299.5574 -128.1378 -95.3099 556818.5579 -6.8187 -6.9740 LDB: ============= START OF LOAD BALANCING ============== 8799.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8799.5 LDB: =============== DONE WITH MIGRATION ================ 8799.5 LDB: ============= START OF LOAD BALANCING ============== 8799.8 LDB: Largest compute 4772 load 0.029398 is 24.9% of average load 0.118129 LDB: Average compute 0.001725 is 1.5% of average load 0.118129 LDB: TIME 8799.8 LOAD: AVG 0.118129 MAX 0.207617 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.77 MB LDB: TIME 8799.8 LOAD: AVG 0.118129 MAX 0.207617 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.773 MB LDB: TIME 8799.8 LOAD: AVG 0.118129 MAX 0.207617 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.773 MB LDB: ============== END OF LOAD BALANCING =============== 8799.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8799.81 PRESSURE: 2920400 -16.3178 142.727 -70.0653 142.728 -189.072 -121.69 -70.065 -121.69 -57.0698 GPRESSURE: 2920400 9.57626 114.689 -45.3852 101.824 -131.277 -107.705 -42.268 -98.953 -39.1476 PRESSAVG: 2920400 48.4997 13.5159 30.7272 13.5158 48.0938 15.617 30.7272 15.617 -63.0923 GPRESSAVG: 2920400 48.2697 13.4069 30.5858 13.7144 48.983 12.894 32.2611 13.9476 -63.7284 TIMING: 2920400 CPU: 8796.59, 0.00305621/step Wall: 8796.59, 0.00305621/step, 1.76547 hours remaining, 209.257812 MB of memory in use. ENERGY: 2920400 769.9186 2106.2680 1938.5168 109.3309 -206395.2645 17797.7225 0.0000 0.0000 34291.0494 -149382.4583 299.4723 -183673.5077 -149280.3303 299.3437 -87.4865 -53.6160 557382.7836 11.1671 11.1748 PRESSURE: 2920600 -106.936 3.55742 62.9948 3.55722 -91.1812 -242.359 62.9948 -242.359 -222.954 GPRESSURE: 2920600 -131.584 -39.3131 178.22 59.5548 -29.5619 -197.133 73.1815 -217.646 -170.806 PRESSAVG: 2920600 -24.1875 52.6547 36.6053 52.6547 106.318 31.1964 36.6054 31.1963 -79.118 GPRESSAVG: 2920600 -22.8423 52.6963 38.1928 51.8893 104.719 32.2414 34.8797 32.7377 -78.8523 TIMING: 2920600 CPU: 8797.19, 0.00300642/step Wall: 8797.19, 0.00300642/step, 1.73654 hours remaining, 209.460938 MB of memory in use. ENERGY: 2920600 725.0977 2141.0642 1953.0519 109.1136 -206335.6407 17890.7846 0.0000 0.0000 34023.6498 -149492.8787 297.1370 -183516.5285 -149394.4926 298.7670 -140.3571 -110.6508 557798.8310 1.0042 1.0082 PRESSURE: 2920800 -12.522 -74.6468 -12.8634 -74.6473 -53.8847 5.7806 -12.8634 5.78102 -138.104 GPRESSURE: 2920800 39.5696 -159.546 -12.307 -50.2382 -25.9929 -37.0945 -88.9488 5.38734 -116.142 PRESSAVG: 2920800 2.15479 -15.7899 71.4867 -15.7899 39.3067 -16.9338 71.4865 -16.9337 -36.2777 GPRESSAVG: 2920800 0.183587 -16.661 70.8925 -15.5379 40.3014 -17.5862 74.5649 -16.4341 -35.4807 TIMING: 2920800 CPU: 8797.79, 0.00300399/step Wall: 8797.79, 0.00300399/step, 1.73497 hours remaining, 209.460938 MB of memory in use. ENERGY: 2920800 721.3679 1972.6072 1936.1514 118.3681 -206412.9970 17907.7874 0.0000 0.0000 34330.5619 -149426.1530 299.8173 -183756.7149 -149325.8269 299.0353 -68.1703 -34.1885 557419.5728 1.7279 1.6681 PRESSURE: 2921000 252.57 -36.317 -117.938 -36.3162 145.801 20.2346 -117.939 20.2332 18.9647 GPRESSURE: 2921000 247.678 18.2894 -121.042 -44.3277 184.986 -78.4988 -190.858 -16.4684 83.4779 PRESSAVG: 2921000 32.5008 10.9465 15.7541 10.9465 77.3539 16.7267 15.7541 16.7267 -110.132 GPRESSAVG: 2921000 32.1376 10.6402 13.785 12.7146 75.8441 16.2117 14.2234 18.2959 -108.732 TIMING: 2921000 CPU: 8798.39, 0.00299129/step Wall: 8798.39, 0.00299129/step, 1.72747 hours remaining, 209.460938 MB of memory in use. ENERGY: 2921000 729.4283 2080.1826 1943.6676 121.0595 -206358.1260 17969.2861 0.0000 0.0000 33795.7317 -149718.7702 295.1465 -183514.5019 -149624.3342 297.9956 139.1119 172.0471 557002.0507 -0.0923 -0.2503 PRESSURE: 2921200 -172.969 10.3167 64.7445 10.3153 -66.9688 -89.7182 64.7441 -89.7178 246.53 GPRESSURE: 2921200 -84.4089 44.9338 113.534 35.9073 -46.6398 -13.7241 132.616 -93.3834 227.007 PRESSAVG: 2921200 13.4622 -22.2453 34.4171 -22.2453 20.3391 -53.9397 34.4171 -53.9397 -88.9853 GPRESSAVG: 2921200 13.8468 -19.7448 36.7865 -23.8946 21.2233 -52.0572 33.5103 -55.4838 -90.5086 TIMING: 2921200 CPU: 8798.99, 0.00298869/step Wall: 8798.99, 0.00298869/step, 1.7258 hours remaining, 209.460938 MB of memory in use. ENERGY: 2921200 744.0375 2137.9221 1955.9693 120.7869 -206656.4481 17797.2340 0.0000 0.0000 34271.0167 -149629.4816 299.2973 -183900.4984 -149531.2319 297.9486 2.1974 31.9863 556125.2685 -18.3947 -18.4795 PRESSURE: 2921400 -30.1102 46.5547 54.7317 46.5554 129.25 36.9749 54.7313 36.9752 -166.491 GPRESSURE: 2921400 -21.4915 25.3873 3.66214 103.607 132.942 -0.440765 2.88625 62.2393 -75.8649 PRESSAVG: 2921400 54.2496 -18.967 -50.9517 -18.9671 -77.1883 -45.4501 -50.9517 -45.4501 32.7656 GPRESSAVG: 2921400 54.1544 -21.2664 -51.3308 -19.2483 -77.8228 -47.2088 -50.836 -44.6743 33.3599 TIMING: 2921400 CPU: 8799.6, 0.0030333/step Wall: 8799.6, 0.0030333/step, 1.7514 hours remaining, 209.460938 MB of memory in use. ENERGY: 2921400 716.7637 2086.0042 1948.2037 113.5322 -206138.2200 17635.0204 0.0000 0.0000 34099.5453 -149539.1505 297.7998 -183638.6958 -149442.9012 297.7275 -22.4502 11.8620 556840.5639 3.2756 3.2305 PRESSURE: 2921600 255.493 101.685 51.8051 101.684 232.902 27.8467 51.8048 27.8467 21.0109 GPRESSURE: 2921600 322.371 94.8628 11.3869 163.286 302.341 23.2869 55.6526 66.2977 -19.3869 PRESSAVG: 2921600 25.2686 40.6191 21.3151 40.6191 43.9858 -36.657 21.3152 -36.6572 -63.7141 GPRESSAVG: 2921600 25.611 41.8976 20.4948 42.4208 44.6817 -35.4822 22.9403 -37.99 -65.1859 TIMING: 2921600 CPU: 8800.2, 0.00303786/step Wall: 8800.2, 0.00303786/step, 1.75386 hours remaining, 209.460938 MB of memory in use. ENERGY: 2921600 741.1030 2026.2416 1950.8106 111.0656 -206574.0221 18081.5900 0.0000 0.0000 33989.9077 -149673.3037 296.8423 -183663.2113 -149576.1209 297.9239 169.8018 201.7751 555982.2818 1.8468 1.7023 PRESSURE: 2921800 -329.513 115.681 -22.9821 115.682 25.6307 57.372 -22.982 57.372 42.6313 GPRESSURE: 2921800 -272.423 129.288 -68.1387 102.491 68.7232 120.686 -28.8451 -29.602 43.7375 PRESSAVG: 2921800 -16.0829 2.34295 -10.7107 2.34294 42.82 -0.18053 -10.7108 -0.180536 -47.6556 GPRESSAVG: 2921800 -14.741 1.96947 -9.72983 -0.24942 41.0486 -0.423399 -12.0685 1.08681 -47.0314 TIMING: 2921800 CPU: 8800.81, 0.00301331/step Wall: 8800.81, 0.00301331/step, 1.73951 hours remaining, 209.460938 MB of memory in use. ENERGY: 2921800 759.4026 2099.4174 1965.0068 106.4269 -206613.8941 17793.5733 0.0000 0.0000 34137.5012 -149752.5660 298.1313 -183890.0672 -149660.6631 298.0424 -87.0836 -53.3209 556587.2110 -6.9728 -6.9079 PRESSURE: 2922000 -176.147 120.479 154.628 120.478 -143.628 187.03 154.627 187.03 74.8925 GPRESSURE: 2922000 -160.263 37.2634 206.062 122.545 -113.01 136.765 88.1101 170.623 117.811 PRESSAVG: 2922000 -25.5122 26.8111 -25.7301 26.8111 -9.23 -0.32848 -25.7301 -0.328482 37.678 GPRESSAVG: 2922000 -26.2338 26.3323 -26.0738 28.4621 -9.24407 -2.20638 -25.7283 -0.553871 38.0268 TIMING: 2922000 CPU: 8801.41, 0.00299435/step Wall: 8801.41, 0.00299435/step, 1.72841 hours remaining, 209.460938 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: 2922000 704.8483 2042.3636 1941.3103 107.7209 -206581.3824 17747.9929 0.0000 0.0000 34158.0112 -149879.1351 298.3104 -184037.1463 -149774.5994 297.4800 -81.6276 -51.8205 557961.1900 0.9786 0.8496 PRESSURE: 2922200 -60.6453 51.1844 24.8219 51.1846 12.9795 -192.765 24.8242 -192.763 14.0519 GPRESSURE: 2922200 -21.9271 94.4732 26.5547 64.7736 37.1261 -136.662 -31.0751 -215.763 45.0768 PRESSAVG: 2922200 24.1013 38.1307 41.0093 38.1307 37.5592 -8.68939 41.0093 -8.68936 -26.2834 GPRESSAVG: 2922200 23.4207 39.2216 41.1933 36.7663 38.691 -6.77991 40.2359 -8.66259 -26.6504 TIMING: 2922200 CPU: 8802.01, 0.00302244/step Wall: 8802.01, 0.00302244/step, 1.74445 hours remaining, 209.460938 MB of memory in use. ENERGY: 2922200 762.6307 2062.7158 1909.4131 115.2436 -206476.5273 17884.0164 0.0000 0.0000 34156.1188 -149586.3890 298.2939 -183742.5078 -149487.9513 297.3993 -11.2046 20.0919 558351.4992 11.7924 11.8205 PRESSURE: 2922400 -291.222 -61.0059 141.745 -61.0052 31.0056 102.536 141.745 102.535 73.1554 GPRESSURE: 2922400 -264.966 -124.758 101.434 0.834879 95.9894 158.547 136.872 168.937 83.9179 PRESSAVG: 2922400 -58.6725 35.8327 -49.4946 35.8327 101.908 -7.11681 -49.4946 -7.11675 -13.6704 GPRESSAVG: 2922400 -59.0239 34.2099 -49.6586 37.0587 101.316 -6.73562 -48.5801 -6.13454 -12.7834 TIMING: 2922400 CPU: 8802.61, 0.00299308/step Wall: 8802.61, 0.00299308/step, 1.72734 hours remaining, 209.460938 MB of memory in use. ENERGY: 2922400 743.5173 2075.7368 1926.4238 110.1335 -206807.0278 18040.8504 0.0000 0.0000 34190.9802 -149719.3857 298.5983 -183910.3659 -149624.9608 297.7546 -62.3538 -28.3530 558168.6050 9.8549 9.8364 PRESSURE: 2922600 -248.552 -68.3047 -9.34693 -68.3048 -39.3968 -17.553 -9.34743 -17.553 -147.648 GPRESSURE: 2922600 -256.462 26.6632 15.4122 -135.382 4.62409 -59.9486 -37.7436 3.89975 -81.4933 PRESSAVG: 2922600 -3.74843 -31.0669 -6.98929 -31.0669 1.77976 36.1812 -6.98931 36.1812 3.69888 GPRESSAVG: 2922600 -2.43191 -28.9837 -7.42793 -32.233 1.31696 33.1444 -7.59556 37.5062 2.87184 TIMING: 2922600 CPU: 8803.21, 0.00301427/step Wall: 8803.21, 0.00301427/step, 1.7394 hours remaining, 209.460938 MB of memory in use. ENERGY: 2922600 742.9669 2087.2114 1921.5229 108.7983 -206050.5487 17476.6299 0.0000 0.0000 34261.6080 -149451.8114 299.2151 -183713.4194 -149351.9414 298.7056 -145.1989 -111.1105 557218.8650 0.5767 0.5856 PRESSURE: 2922800 -49.8084 79.1749 -59.2946 79.1768 -106.882 174.863 -59.2946 174.864 -112.27 GPRESSURE: 2922800 -17.1182 30.0443 -110.327 153.771 -64.1191 194.375 -98.9696 179.17 -85.7835 PRESSAVG: 2922800 -13.7775 4.05674 -22.1301 4.0568 16.386 4.53212 -22.1301 4.53209 -17.8861 GPRESSAVG: 2922800 -15.139 3.12058 -23.5351 3.65328 17.2913 6.15326 -20.3431 3.22808 -17.6653 TIMING: 2922800 CPU: 8803.81, 0.0030007/step Wall: 8803.81, 0.0030007/step, 1.7314 hours remaining, 209.460938 MB of memory in use. ENERGY: 2922800 740.3945 2092.7163 1922.3640 117.5329 -206270.3931 17647.0488 0.0000 0.0000 34390.1084 -149360.2282 300.3374 -183750.3366 -149259.2095 298.7556 -89.6534 -55.6736 557886.5981 -5.0925 -5.1710 PRESSURE: 2923000 -44.9255 6.8149 86.5848 6.8143 -158.262 92.9711 86.5849 92.9717 -317 GPRESSURE: 2923000 -13.1132 -31.0106 105.084 18.2811 -97.0533 86.478 124.837 72.4189 -319.857 PRESSAVG: 2923000 13.2787 -26.0218 16.5355 -26.0218 59.0578 6.81274 16.5356 6.81279 -35.2096 GPRESSAVG: 2923000 13.2893 -26.514 19.9403 -24.4039 59.105 7.34053 13.3131 6.01596 -34.1799 TIMING: 2923000 CPU: 8804.41, 0.00299414/step Wall: 8804.41, 0.00299414/step, 1.72745 hours remaining, 209.460938 MB of memory in use. ENERGY: 2923000 766.2413 2094.4576 1913.5355 99.6855 -206027.9346 17636.9662 0.0000 0.0000 34192.4960 -149324.5524 298.6116 -183517.0484 -149228.5244 299.1769 -173.3958 -143.3411 556856.4221 12.3756 12.7381 PRESSURE: 2923200 -189.502 60.705 97.6103 60.705 -45.2791 71.3604 97.6102 71.3613 282.525 GPRESSURE: 2923200 -141.756 141.191 94.7256 57.4405 22.2987 162.231 143.963 24.6102 260.108 PRESSAVG: 2923200 65.4169 34.1291 -15.5998 34.1291 -52.9117 56.2238 -15.5998 56.2238 14.1028 GPRESSAVG: 2923200 66.1951 36.0303 -18.9083 33.9555 -53.2028 55.0062 -14.187 58.0372 14.5443 TIMING: 2923200 CPU: 8805.02, 0.00303281/step Wall: 8805.02, 0.00303281/step, 1.74959 hours remaining, 209.460938 MB of memory in use. ENERGY: 2923200 707.5024 2089.3894 1933.0845 116.6418 -206024.7868 17776.8365 0.0000 0.0000 34264.0463 -149137.2859 299.2364 -183401.3322 -149030.5687 299.8631 15.9146 46.8834 557697.9991 8.8693 9.1789 PRESSURE: 2923400 166.985 -32.0233 43.7718 -32.0232 -119.293 50.8986 43.7724 50.8987 40.6107 GPRESSURE: 2923400 155.831 6.43958 -34.9669 -24.0959 -10.5748 -39.9659 62.8626 129.5 35.395 PRESSAVG: 2923400 63.6046 2.49012 17.9964 2.49011 -19.6794 33.9657 17.9964 33.9657 -31.869 GPRESSAVG: 2923400 63.5656 1.48338 17.9629 3.08016 -20.1692 34.8353 18.3981 32.9393 -32.243 TIMING: 2923400 CPU: 8805.62, 0.00301696/step Wall: 8805.62, 0.00301696/step, 1.74028 hours remaining, 209.460938 MB of memory in use. ENERGY: 2923400 721.0678 2115.5617 1914.7559 112.7792 -206168.2746 17900.0504 0.0000 0.0000 34377.8949 -149026.1648 300.2307 -183404.0597 -148932.8077 300.0434 29.4344 60.2171 558989.2776 4.0187 3.7178 PRESSURE: 2923600 127.313 -28.0976 129.933 -28.0973 126.18 160.885 129.932 160.886 -288.326 GPRESSURE: 2923600 206.671 -143.042 95.9198 -28.0035 113.015 153.45 46.6565 28.6142 -271.462 PRESSAVG: 2923600 -5.55611 37.3124 -7.27575 37.3124 28.1785 41.5101 -7.27567 41.51 -16.6965 GPRESSAVG: 2923600 -6.84251 39.236 -6.98811 35.1644 28.4082 40.1364 -8.89574 40.9386 -15.5845 TIMING: 2923600 CPU: 8806.22, 0.00300241/step Wall: 8806.22, 0.00300241/step, 1.73172 hours remaining, 209.460938 MB of memory in use. ENERGY: 2923600 759.1327 2079.7258 1943.6829 110.7526 -206236.3045 17770.4785 0.0000 0.0000 34304.1991 -149268.3330 299.5871 -183572.5321 -149170.3659 299.5383 -11.6111 16.0748 557159.0465 1.9753 1.9937 PRESSURE: 2923800 -99.9932 -155.691 51.2618 -155.69 -148.576 -175.961 51.2618 -175.961 189.999 GPRESSURE: 2923800 -39.916 -250.785 27.5075 -19.6672 -93.9026 -156.68 -43.6531 -105.598 189.551 PRESSAVG: 2923800 70.3651 -43.9181 -11.1202 -43.9181 -43.5211 25.3002 -11.1203 25.3002 -24.4773 GPRESSAVG: 2923800 70.2543 -47.8878 -9.55466 -41.7764 -43.3885 25.604 -11.6009 26.5649 -24.5346 TIMING: 2923800 CPU: 8806.81, 0.00296549/step Wall: 8806.81, 0.00296549/step, 1.71027 hours remaining, 209.460938 MB of memory in use. ENERGY: 2923800 723.3879 2054.3763 1947.0230 117.2258 -206308.6628 17839.9585 0.0000 0.0000 34197.7039 -149428.9873 298.6571 -183626.6912 -149331.4965 299.3897 -19.5235 18.5774 556605.2346 0.7889 0.7771 PRESSURE: 2924000 156.881 -3.67567 48.6298 -3.67666 -191.376 12.5535 48.63 12.5506 5.52102 GPRESSURE: 2924000 140.624 26.673 64.4317 37.875 -107.47 21.9712 -33.9457 -34.6085 28.427 PRESSAVG: 2924000 56.0328 -35.3445 20.6288 -35.3446 -34.0516 -9.66212 20.6288 -9.66218 24.3088 GPRESSAVG: 2924000 55.9842 -33.4355 19.0625 -36.8031 -32.3071 -9.41419 23.1609 -10.3577 22.9014 TIMING: 2924000 CPU: 8807.41, 0.00299293/step Wall: 8807.41, 0.00299293/step, 1.72592 hours remaining, 209.460938 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: 2924000 764.6965 2048.2976 1933.9316 104.5664 -206559.8738 17912.2715 0.0000 0.0000 34238.4540 -149557.6562 299.0129 -183796.1102 -149460.2597 299.0754 -9.6579 20.5271 556496.9965 15.4300 15.5261 PRESSURE: 2924200 142.258 12.7138 -35.9575 12.7149 -13.6812 -39.9509 -35.9579 -39.9505 -28.9556 GPRESSURE: 2924200 182.381 16.8507 12.2325 54.8176 11.4544 -97.4549 0.0171978 -8.98773 0.33281 PRESSAVG: 2924200 -9.09226 -29.0316 57.9393 -29.0315 6.07866 -42.6817 57.9394 -42.6819 -13.4248 GPRESSAVG: 2924200 -7.73543 -29.2039 56.1955 -28.2252 3.72375 -40.4639 58.9888 -43.4494 -12.6577 TIMING: 2924200 CPU: 8808.01, 0.00299794/step Wall: 8808.01, 0.00299794/step, 1.72864 hours remaining, 209.460938 MB of memory in use. ENERGY: 2924200 718.7979 2112.6156 1941.9049 111.7571 -206331.6333 17872.7961 0.0000 0.0000 34073.4242 -149500.3375 297.5717 -183573.7617 -149402.1950 298.1101 33.2072 64.7228 556544.0638 -5.4795 -5.5565 LDB: ============= START OF LOAD BALANCING ============== 8811.53 LDB: ============== END OF LOAD BALANCING =============== 8811.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8811.53 LDB: ============= START OF LOAD BALANCING ============== 8811.83 LDB: Largest compute 4772 load 0.027394 is 23.2% of average load 0.118009 LDB: Average compute 0.001729 is 1.5% of average load 0.118009 LDB: TIME 8811.83 LOAD: AVG 0.118009 MAX 0.205437 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.457 MB LDB: TIME 8811.83 LOAD: AVG 0.118009 MAX 0.205437 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.66 MB LDB: TIME 8811.83 LOAD: AVG 0.118009 MAX 0.205437 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.66 MB LDB: ============== END OF LOAD BALANCING =============== 8811.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8811.84 PRESSURE: 2924400 94.6173 -26.524 -8.95033 -26.5236 41.1378 0.258864 -8.94984 0.260012 -167.844 GPRESSURE: 2924400 89.7449 -92.8905 -4.09341 -8.97702 93.1544 -53.2749 9.6076 17.5502 -122.825 PRESSAVG: 2924400 57.4167 -35.2556 -12.5086 -35.2557 -41.4706 -18.6954 -12.5086 -18.6953 -29.8654 GPRESSAVG: 2924400 58.0018 -34.5333 -10.6852 -35.7577 -41.84 -22.1796 -13.2808 -17.0299 -29.691 TIMING: 2924400 CPU: 8808.62, 0.00303585/step Wall: 8808.62, 0.00303585/step, 1.75034 hours remaining, 209.773438 MB of memory in use. ENERGY: 2924400 765.5347 2091.7430 1924.8746 103.0048 -206166.4539 17709.9213 0.0000 0.0000 34145.4278 -149425.9478 298.2005 -183571.3756 -149330.4764 298.7273 -10.6965 20.0249 556573.9613 -4.6398 -4.5097 PRESSURE: 2924600 -147.898 -7.94861 22.5642 -7.94797 -311.368 75.6371 22.5655 75.6356 -370.764 GPRESSURE: 2924600 -90.248 -20.7828 6.57415 -37.7564 -300.728 103.849 80.8855 57.0436 -351.075 PRESSAVG: 2924600 11.7116 5.85646 34.1392 5.85645 15.3431 22.8848 34.1392 22.8848 -29.1119 GPRESSAVG: 2924600 10.9593 4.96877 33.1549 6.73855 16.1865 24.1931 34.4501 22.3691 -29.4247 TIMING: 2924600 CPU: 8809.22, 0.00299032/step Wall: 8809.22, 0.00299032/step, 1.72392 hours remaining, 210.179688 MB of memory in use. ENERGY: 2924600 747.0830 2063.3494 1944.9774 117.7019 -206079.5475 17557.1605 0.0000 0.0000 34166.2457 -149483.0296 298.3823 -183649.2754 -149375.4240 298.2747 -276.6765 -247.3505 558661.0987 -0.6857 -0.7597 PRESSURE: 2924800 -102.489 -27.8577 -0.449739 -27.8583 -358.315 5.94502 -0.449905 5.94471 25.0704 GPRESSURE: 2924800 -34.6874 54.7627 77.5921 -30.6154 -296.714 53.4764 36.1579 -8.29566 -0.5993 PRESSAVG: 2924800 26.1426 -6.19937 43.4166 -6.19942 -22.4378 12.8573 43.4165 12.8574 -39.4033 GPRESSAVG: 2924800 26.1821 -4.56304 44.6073 -8.26971 -23.0739 13.7906 43.1754 11.9979 -38.5925 TIMING: 2924800 CPU: 8809.82, 0.00300188/step Wall: 8809.82, 0.00300188/step, 1.73042 hours remaining, 210.187500 MB of memory in use. ENERGY: 2924800 743.4561 2130.0584 1933.2735 108.8567 -205958.2415 17599.1503 0.0000 0.0000 34137.8105 -149305.6360 298.1340 -183443.4466 -149203.3940 298.7665 -145.2445 -110.6669 558546.9056 -11.8995 -11.8281 PRESSURE: 2925000 -6.09706 54.883 -19.905 54.8818 60.4095 -35.4245 -19.905 -35.4232 81.8208 GPRESSURE: 2925000 50.0897 104.742 -63.2773 123.492 62.7774 -22.6983 -20.2381 -49.9758 115.565 PRESSAVG: 2925000 -116.915 64.2852 -52.1159 64.2852 47.9181 -31.3061 -52.1159 -31.306 54.2743 GPRESSAVG: 2925000 -117.611 63.8806 -52.5772 63.4366 49.0638 -31.6071 -52.6567 -31.4884 53.2694 TIMING: 2925000 CPU: 8810.42, 0.00298517/step Wall: 8810.42, 0.00298517/step, 1.72062 hours remaining, 210.187500 MB of memory in use. ENERGY: 2925000 779.8276 2097.6050 1924.6620 112.2923 -206105.5677 17787.0434 0.0000 0.0000 34168.9842 -149235.1533 298.4062 -183404.1374 -149139.6920 299.7799 45.3778 76.1440 556387.9726 -4.9074 -5.0925 PRESSURE: 2925200 -111.379 185.849 -25.0819 185.849 -124.879 0.364222 -25.0823 0.364252 127.122 GPRESSURE: 2925200 -63.5824 60.3585 -28.9301 173.91 -71.4117 20.1666 16.1362 -58.0696 130.46 PRESSAVG: 2925200 -64.5537 -9.98035 -28.0846 -9.98025 66.8598 56.4294 -28.0845 56.4294 24.4517 GPRESSAVG: 2925200 -64.0483 -9.81006 -29.5992 -9.78647 67.0262 56.6941 -26.4615 57.2621 23.8392 TIMING: 2925200 CPU: 8811.01, 0.00296698/step Wall: 8811.01, 0.00296698/step, 1.70997 hours remaining, 210.187500 MB of memory in use. ENERGY: 2925200 768.8415 2091.2525 1935.0083 117.5767 -206440.5006 17904.7400 0.0000 0.0000 34294.3116 -149328.7700 299.5008 -183623.0817 -149228.0593 299.7693 -36.3784 -1.5115 556614.4974 8.9193 8.9390 PRESSURE: 2925400 7.8319 82.2952 -81.7103 82.2955 44.5838 105.595 -81.7096 105.596 156.377 GPRESSURE: 2925400 59.1399 118.279 -31.1596 80.8255 39.2447 99.5112 -86.1168 79.4829 212.131 PRESSAVG: 2925400 38.273 -19.2259 -13.3615 -19.226 -53.9211 -60.3676 -13.3615 -60.3676 60.7175 GPRESSAVG: 2925400 38.0521 -18.9635 -11.5693 -18.5299 -54.8635 -62.378 -15.6323 -60.3186 61.9475 TIMING: 2925400 CPU: 8811.6, 0.00296678/step Wall: 8811.6, 0.00296678/step, 1.70969 hours remaining, 210.187500 MB of memory in use. ENERGY: 2925400 775.7771 2060.7798 1975.8585 126.0481 -206738.4663 18096.6008 0.0000 0.0000 34234.1197 -149469.2824 298.9751 -183703.4021 -149376.5551 298.9852 69.5976 103.5053 555713.5465 15.0231 15.0454 PRESSURE: 2925600 150.649 112.257 -149.943 112.258 -106.744 -45.4077 -149.944 -45.4063 54.7255 GPRESSURE: 2925600 180.124 128.681 -195.07 123.844 -96.3753 -30.2069 -152.788 -51.6588 109.04 PRESSAVG: 2925600 20.224 10.4474 34.0083 10.4474 17.882 -31.9366 34.0081 -31.9366 -12.4056 GPRESSAVG: 2925600 20.8996 7.62652 34.4184 13.1954 17.7714 -30.2714 35.5522 -31.7041 -13.1576 TIMING: 2925600 CPU: 8812.2, 0.00298712/step Wall: 8812.2, 0.00298712/step, 1.72124 hours remaining, 210.187500 MB of memory in use. ENERGY: 2925600 766.6299 2078.4612 1929.5190 127.4038 -206479.7019 18057.4941 0.0000 0.0000 34027.0730 -149493.1210 297.1669 -183520.1940 -149393.4249 298.8846 32.8770 64.2628 555702.6214 8.5668 8.5044 PRESSURE: 2925800 178.069 -43.7495 131.372 -43.7506 77.7458 -26.1946 131.372 -26.196 58.9111 GPRESSURE: 2925800 233.9 4.83355 141.834 -135.661 106.904 -51.2098 18.7774 -146.996 78.8961 PRESSAVG: 2925800 -27.8394 9.9707 53.5362 9.97059 12.4787 -19.8044 53.5362 -19.8044 35.0472 GPRESSAVG: 2925800 -27.9156 12.779 53.7788 6.50318 13.3393 -19.5688 53.7992 -20.2977 34.3644 TIMING: 2925800 CPU: 8812.8, 0.00299371/step Wall: 8812.8, 0.00299371/step, 1.72488 hours remaining, 210.187500 MB of memory in use. ENERGY: 2925800 760.2905 2058.5837 1950.9649 111.7366 -206670.3533 18062.7609 0.0000 0.0000 34546.7992 -149179.2175 301.7058 -183726.0167 -149085.6042 299.4539 104.9087 139.9000 556829.0913 6.5622 6.5961 PRESSURE: 2926000 32.4541 -2.1126 -51.9081 -2.11206 -197.681 91.3811 -51.9098 91.3804 -161.966 GPRESSURE: 2926000 60.1233 0.429415 -9.3048 -33.8516 -197.56 61.8773 -109.531 116.262 -84.8935 PRESSAVG: 2926000 21.325 -0.447025 -23.9779 -0.44701 2.80595 6.7184 -23.978 6.71843 -31.6911 GPRESSAVG: 2926000 21.196 -0.323668 -24.7332 0.940968 2.39522 7.18922 -25.9033 6.50725 -30.4419 TIMING: 2926000 CPU: 8813.4, 0.00302544/step Wall: 8813.4, 0.00302544/step, 1.74299 hours remaining, 210.187500 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: 2926000 771.9873 2090.3043 1945.8713 109.2729 -206337.8119 17925.7992 0.0000 0.0000 34282.2379 -149212.3389 299.3953 -183494.5768 -149112.3594 300.0446 -109.0641 -74.1101 558370.4736 -2.5200 -2.2835 PRESSURE: 2926200 -36.7578 112.967 -194.743 112.966 -145.271 -25.1104 -194.744 -25.1098 -0.602741 GPRESSURE: 2926200 -8.54569 124.84 -245.634 107.381 -80.54 -112.101 -136.407 -86.2701 15.5313 PRESSAVG: 2926200 61.0635 22.9682 -57.8906 22.9682 38.2141 47.4725 -57.8906 47.4725 -89.3212 GPRESSAVG: 2926200 61.6397 22.1054 -59.4928 21.8858 37.6001 45.5366 -53.6599 47.5227 -89.4038 TIMING: 2926200 CPU: 8814.01, 0.00300867/step Wall: 8814.01, 0.00300867/step, 1.73316 hours remaining, 210.187500 MB of memory in use. ENERGY: 2926200 764.6436 2127.5587 1919.5062 112.7342 -206216.3797 17769.5886 0.0000 0.0000 34164.7140 -149357.6346 298.3689 -183522.3485 -149261.7478 299.7472 -60.8771 -24.5181 557677.4345 3.3188 3.2787 PRESSURE: 2926400 341.913 -26.7747 116.393 -26.776 -102.945 50.0644 116.392 50.0626 -144.832 GPRESSURE: 2926400 395.308 22.7819 174.37 -87.1321 -87.7161 -53.9133 139.179 30.066 -121.564 PRESSAVG: 2926400 72.3591 14.7196 -2.71196 14.7196 -6.68675 69.0549 -2.71194 69.0549 -53.7408 GPRESSAVG: 2926400 72.3961 14.8513 -0.285127 13.8817 -5.98414 69.0628 -6.23704 69.8616 -54.1099 TIMING: 2926400 CPU: 8814.61, 0.003017/step Wall: 8814.61, 0.003017/step, 1.73779 hours remaining, 210.187500 MB of memory in use. ENERGY: 2926400 763.0936 2068.4411 1925.8959 123.5944 -206502.3491 17925.2345 0.0000 0.0000 34279.5422 -149416.5474 299.3718 -183696.0896 -149319.1507 299.2516 31.3785 62.0094 556065.8945 3.9772 4.1007 PRESSURE: 2926600 182.969 -184.261 -112.622 -184.261 -297.082 -54.2586 -112.622 -54.2581 30.436 GPRESSURE: 2926600 152.114 -196.505 -20.9756 -112.805 -262.75 -57.3427 -111.003 -127.098 126.556 PRESSAVG: 2926600 117.047 -38.5804 24.7755 -38.5804 -59.0803 48.4996 24.7756 48.4996 -39.0222 GPRESSAVG: 2926600 115.664 -38.8051 26.818 -37.5397 -59.0015 48.933 21.7042 48.0225 -37.8261 TIMING: 2926600 CPU: 8815.21, 0.00299665/step Wall: 8815.21, 0.00299665/step, 1.7259 hours remaining, 210.187500 MB of memory in use. ENERGY: 2926600 753.9341 2076.3873 1924.9929 107.6535 -206635.1568 17872.0711 0.0000 0.0000 34421.9440 -149478.1740 300.6154 -183900.1180 -149379.7063 299.2446 -27.8922 5.3069 557127.7258 6.3150 6.2787 PRESSURE: 2926800 -188.249 -24.5149 -184.545 -24.5143 -77.4792 71.199 -184.546 71.1995 -219.622 GPRESSURE: 2926800 -164.931 -17.4473 -217.176 24.8366 -58.3544 53.7959 -141.035 14.8206 -163.003 PRESSAVG: 2926800 -21.7499 -4.83652 35.5628 -4.83644 20.4126 11.3382 35.5629 11.3382 19.3254 GPRESSAVG: 2926800 -21.2233 -4.39194 31.3897 -4.48 20.5329 12.6292 40.3684 12.0858 18.6098 TIMING: 2926800 CPU: 8815.81, 0.00301455/step Wall: 8815.81, 0.00301455/step, 1.73605 hours remaining, 210.187500 MB of memory in use. ENERGY: 2926800 771.3300 2099.1128 1917.4738 107.3625 -206220.3557 17687.2232 0.0000 0.0000 34248.4670 -149389.3863 299.1004 -183637.8534 -149291.1581 298.7403 -161.7836 -128.7629 558672.5507 5.9960 5.9731 PRESSURE: 2927000 -231.179 -29.8651 -90.3403 -29.8664 -156.639 -68.0525 -90.3406 -68.0531 -28.7444 GPRESSURE: 2927000 -223.866 23.4902 -23.6118 -3.74903 -112.648 -114.315 -43.0302 -2.06338 5.73507 PRESSAVG: 2927000 0.732463 -31.9187 19.0688 -31.9187 -11.1387 9.21578 19.0689 9.21573 7.23922 GPRESSAVG: 2927000 2.46835 -33.4897 20.1462 -31.7665 -12.1937 7.26631 18.5711 7.98411 6.89193 TIMING: 2927000 CPU: 8816.42, 0.00302201/step Wall: 8816.42, 0.00302201/step, 1.74017 hours remaining, 210.187500 MB of memory in use. ENERGY: 2927000 738.6530 2106.3201 1960.3063 115.2700 -206236.6639 17638.9176 0.0000 0.0000 34199.4955 -149477.7014 298.6727 -183677.1969 -149379.9772 298.7636 -138.8541 -110.2596 557719.3697 -1.0557 -0.9445 PRESSURE: 2927200 3.39481 -58.0596 -13.1447 -58.0603 219.403 -71.4646 -13.1456 -71.4637 -160.022 GPRESSURE: 2927200 55.3743 -72.4901 44.6181 -56.4623 288.929 -133.868 35.6326 -55.0057 -188.633 PRESSAVG: 2927200 35.4311 -91.5243 31.0377 -91.5244 18.2237 -0.777397 31.0377 -0.777419 -39.252 GPRESSAVG: 2927200 34.0037 -90.5942 32.2147 -90.5912 20.0523 -1.927 29.275 0.664343 -39.3499 TIMING: 2927200 CPU: 8817.02, 0.00304945/step Wall: 8817.02, 0.00304945/step, 1.7558 hours remaining, 210.187500 MB of memory in use. ENERGY: 2927200 702.1609 2126.5288 1938.9129 107.2204 -206451.4001 17823.6900 0.0000 0.0000 34268.9259 -149483.9611 299.2791 -183752.8870 -149389.5129 299.0657 20.9255 51.8900 557332.9965 4.8009 4.9020 PRESSURE: 2927400 292.374 48.1441 132.971 48.1445 -90.9298 -32.6524 132.971 -32.6515 -38.5771 GPRESSURE: 2927400 333.532 35.631 76.1013 31.5623 -63.4003 -131.419 167.175 -23.7587 -5.40919 PRESSAVG: 2927400 21.4222 -72.5419 43.5909 -72.5418 -2.53766 -1.25234 43.5909 -1.25236 -8.51373 GPRESSAVG: 2927400 21.1016 -75.0502 41.7954 -72.3196 -3.31896 0.99029 43.7815 -2.05802 -7.38033 TIMING: 2927400 CPU: 8817.63, 0.00301094/step Wall: 8817.63, 0.00301094/step, 1.73347 hours remaining, 210.187500 MB of memory in use. ENERGY: 2927400 755.6682 2052.3792 1920.8764 101.0943 -206403.5627 17961.4951 0.0000 0.0000 34174.4810 -149437.5684 298.4542 -183612.0494 -149334.0866 299.1727 54.2892 88.2409 556910.4604 3.4569 3.4674 PRESSURE: 2927600 31.0428 -46.1819 72.3708 -46.1819 150.089 -293.533 72.3714 -293.532 217.997 GPRESSURE: 2927600 84.9075 -21.37 14.9082 -67.1385 162.217 -294.012 143.393 -234.512 244.803 PRESSAVG: 2927600 -9.90255 -15.5725 35.1358 -15.5726 -39.7519 -10.9312 35.1357 -10.9313 17.1615 GPRESSAVG: 2927600 -9.5212 -13.3197 33.9571 -17.4852 -39.4483 -10.8352 35.592 -12.6745 16.0733 TIMING: 2927600 CPU: 8818.23, 0.00299086/step Wall: 8818.23, 0.00299086/step, 1.72174 hours remaining, 210.187500 MB of memory in use. ENERGY: 2927600 716.9345 2051.1579 1943.5641 107.0333 -206210.0303 17854.3707 0.0000 0.0000 33999.9203 -149537.0494 296.9298 -183536.9698 -149440.4891 298.3733 133.0427 163.9756 556365.1921 -10.8310 -10.9654 PRESSURE: 2927800 127.301 -138.299 181.229 -138.299 153.563 -14.1659 181.229 -14.1658 155.285 GPRESSURE: 2927800 127.468 -115.312 113.767 -205.953 176.542 13.6923 223.441 -68.4408 222.334 PRESSAVG: 2927800 -11.6015 -39.111 30.4813 -39.1109 7.37848 -27.2868 30.4813 -27.2868 56.0531 GPRESSAVG: 2927800 -12.6149 -39.1082 31.7559 -37.8534 8.3899 -28.114 31.548 -24.5843 55.9629 TIMING: 2927800 CPU: 8818.82, 0.00298789/step Wall: 8818.82, 0.00298789/step, 1.71986 hours remaining, 210.187500 MB of memory in use. ENERGY: 2927800 727.6711 2064.6295 1926.4186 109.7397 -206623.5291 18042.7876 0.0000 0.0000 34126.4793 -149625.8033 298.0350 -183752.2826 -149529.2092 297.9593 145.3830 175.4481 556050.6643 17.2767 17.2460 PRESSURE: 2928000 -2.34246 -93.3519 -40.322 -93.3505 96.6583 108.123 -40.3224 108.124 5.16074 GPRESSURE: 2928000 70.3966 -44.0516 -54.5062 -63.017 58.4766 126.561 -68.7888 76.4577 63.1258 PRESSAVG: 2928000 42.5855 -28.9 -0.369609 -28.9001 -1.09631 21.8152 -0.369691 21.8152 -9.38144 GPRESSAVG: 2928000 43.7343 -29.9196 -0.1257 -29.3424 -2.56631 24.3476 -1.76915 20.8558 -9.09051 TIMING: 2928000 CPU: 8819.42, 0.00300541/step Wall: 8819.42, 0.00300541/step, 1.72978 hours remaining, 210.187500 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: 2928000 790.2951 2054.5682 1912.9822 122.8910 -206232.8585 17991.5988 0.0000 0.0000 33841.2812 -149519.2421 295.5443 -183360.5233 -149426.6015 297.7408 33.1589 63.9997 556847.5417 10.7026 10.6925 PRESSURE: 2928200 43.6568 -80.9722 141.79 -80.9733 100.421 -146.251 141.79 -146.251 -39.9217 GPRESSURE: 2928200 99.3693 -38.2254 83.5054 -55.14 102.894 -119.624 109.854 -149.525 -6.85339 PRESSAVG: 2928200 -25.2039 -19.718 -11.5368 -19.718 33.8784 5.88123 -11.5367 5.88121 -20.999 GPRESSAVG: 2928200 -25.4943 -18.9351 -10.9326 -20.2544 33.1872 3.89567 -12.7019 4.8555 -20.9482 TIMING: 2928200 CPU: 8820.02, 0.00299581/step Wall: 8820.02, 0.0029958/step, 1.72409 hours remaining, 210.187500 MB of memory in use. ENERGY: 2928200 762.0359 2095.6495 1909.3833 117.1232 -206435.4608 17809.2700 0.0000 0.0000 34175.9459 -149566.0529 298.4670 -183741.9988 -149478.1045 298.0230 34.7186 65.1365 556594.0927 -4.1082 -4.4184 LDB: ============= START OF LOAD BALANCING ============== 8823.54 LDB: ============== END OF LOAD BALANCING =============== 8823.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8823.54 LDB: ============= START OF LOAD BALANCING ============== 8823.83 LDB: Largest compute 4772 load 0.025173 is 21.3% of average load 0.118120 LDB: Average compute 0.001723 is 1.5% of average load 0.118120 LDB: TIME 8823.84 LOAD: AVG 0.11812 MAX 0.207681 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.43 MB LDB: TIME 8823.84 LOAD: AVG 0.11812 MAX 0.207681 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.633 MB LDB: TIME 8823.84 LOAD: AVG 0.11812 MAX 0.207681 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.633 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8823.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8823.84 PRESSURE: 2928400 -3.11 -252.876 -181.326 -252.876 107.504 31.2089 -181.326 31.2075 107.662 GPRESSURE: 2928400 51.5552 -193.331 -235.944 -226.301 124.729 19.9704 -141.581 106.866 152.395 PRESSAVG: 2928400 -64.5084 -63.4358 -23.5789 -63.4358 11.5265 -5.47605 -23.5789 -5.47593 43.5692 GPRESSAVG: 2928400 -65.0724 -63.9391 -24.083 -63.1811 12.6136 -3.86511 -23.2814 -5.56626 42.7566 TIMING: 2928400 CPU: 8820.63, 0.00301713/step Wall: 8820.63, 0.00301713/step, 1.73619 hours remaining, 208.941406 MB of memory in use. ENERGY: 2928400 706.4523 2018.6151 1941.7254 117.8101 -206492.5726 18010.3897 0.0000 0.0000 34216.8989 -149480.6811 298.8247 -183697.5801 -149381.1773 297.8762 70.6854 109.5596 557592.3000 -3.1376 -3.2341 PRESSURE: 2928600 -406.699 -5.82875 -51.2381 -5.8298 -235.853 21.6515 -51.239 21.6507 -55.166 GPRESSURE: 2928600 -323.425 35.6801 -115.413 -7.91862 -225.468 25.3359 29.6764 -21.157 -34.5765 PRESSAVG: 2928600 -41.7184 -24.2633 21.8603 -24.2633 1.99257 16.1327 21.8603 16.1327 10.5069 GPRESSAVG: 2928600 -40.2112 -26.1261 22.7146 -24.868 1.50818 15.9948 22.6327 14.8489 9.51351 TIMING: 2928600 CPU: 8821.22, 0.00298228/step Wall: 8821.22, 0.00298228/step, 1.71597 hours remaining, 208.941406 MB of memory in use. ENERGY: 2928600 777.4252 2052.0788 1958.6556 107.7685 -205759.8992 17438.8704 0.0000 0.0000 34199.4942 -149225.6064 298.6727 -183425.1006 -149136.3412 298.6430 -232.5726 -194.4899 557928.1367 -9.7396 -9.7298 PRESSURE: 2928800 329.452 -148.762 -69.2349 -148.762 321.048 134.424 -69.2351 134.426 428.061 GPRESSURE: 2928800 384.796 -92.3108 -89.7988 -224.834 326.198 208.706 -100.316 131.24 463.61 PRESSAVG: 2928800 -68.8165 -1.40099 11.8814 -1.40092 23.2707 17.2994 11.8814 17.2994 60.2519 GPRESSAVG: 2928800 -70.4028 -0.210864 11.7116 0.765653 22.1014 14.7944 11.9261 18.9502 62.5511 TIMING: 2928800 CPU: 8821.82, 0.00298434/step Wall: 8821.82, 0.00298434/step, 1.71699 hours remaining, 208.941406 MB of memory in use. ENERGY: 2928800 736.4184 2075.4383 1910.2111 111.5068 -206678.1443 18355.8103 0.0000 0.0000 34188.6246 -149300.1348 298.5778 -183488.7594 -149203.9125 300.3838 359.5203 391.5348 555536.6034 4.9020 4.7499 PRESSURE: 2929000 13.2402 -54.8608 87.5474 -54.8605 -56.7687 -30.5378 87.5494 -30.5372 -61.4053 GPRESSURE: 2929000 59.8427 -105.852 74.4235 -33.2056 -65.4471 25.0441 52.1257 -19.4144 0.391531 PRESSAVG: 2929000 -79.3207 -6.49458 -117.231 -6.4946 -44.6009 41.3256 -117.231 41.3257 116.145 GPRESSAVG: 2929000 -78.4595 -6.69488 -115.983 -4.41478 -44.5425 42.5553 -116.537 41.1171 115.629 TIMING: 2929000 CPU: 8822.42, 0.0029993/step Wall: 8822.42, 0.0029993/step, 1.72543 hours remaining, 209.203125 MB of memory in use. ENERGY: 2929000 709.8983 2120.7831 1932.6341 120.9181 -206226.8620 17795.6037 0.0000 0.0000 34323.9930 -149223.0318 299.7600 -183547.0248 -149124.9035 300.2469 -34.9780 -1.7376 557863.5509 -2.5923 -2.4575 PRESSURE: 2929200 -93.6211 -140.852 -50.524 -140.85 -31.779 -114.277 -50.5228 -114.278 -45.4731 GPRESSURE: 2929200 -16.0404 -147.822 -61.9752 -172.093 -50.7228 -60.1505 1.05804 -137.708 3.99454 PRESSAVG: 2929200 20.5663 55.4865 -17.2611 55.4865 -53.6359 -2.9438 -17.2611 -2.94388 24.3291 GPRESSAVG: 2929200 20.3308 58.7004 -18.609 50.7314 -52.1788 -4.38635 -17.9415 -0.714133 24.1193 TIMING: 2929200 CPU: 8823.02, 0.00299358/step Wall: 8823.02, 0.00299358/step, 1.72197 hours remaining, 209.203125 MB of memory in use. ENERGY: 2929200 748.3799 2066.0592 1950.9363 112.1297 -206062.7203 17691.0332 0.0000 0.0000 34211.8258 -149282.3561 298.7804 -183494.1819 -149191.9615 299.2894 -56.9577 -20.9229 556902.2608 -2.9135 -2.5762 PRESSURE: 2929400 86.4898 58.8404 83.6183 58.8395 -282.044 89.3751 83.6176 89.3751 -107.186 GPRESSURE: 2929400 73.5681 96.3826 109.392 -20.2021 -206.621 63.2589 12.1978 111.085 -78.7557 PRESSAVG: 2929400 32.3358 14.4882 34.0547 14.4881 -84.9723 -17.089 34.0547 -17.089 36.7036 GPRESSAVG: 2929400 30.5221 12.4699 35.7941 16.1417 -84.5734 -16.2773 32.9572 -16.7543 38.0057 TIMING: 2929400 CPU: 8823.62, 0.00300224/step Wall: 8823.62, 0.00300224/step, 1.72679 hours remaining, 209.203125 MB of memory in use. ENERGY: 2929400 722.3870 2059.1988 1919.2803 105.9640 -205806.0004 17607.9714 0.0000 0.0000 34226.5141 -149164.6848 298.9087 -183391.1988 -149072.7474 299.6214 -100.9134 -70.6027 557636.4281 -5.3110 -5.3485 PRESSURE: 2929600 12.3915 20.3239 64.3251 20.3232 40.8788 -30.0321 64.3258 -30.0336 120.155 GPRESSURE: 2929600 66.8856 65.6003 105.18 66.4206 89.9946 -55.437 78.1148 -40.764 119.243 PRESSAVG: 2929600 34.3739 2.7835 16.2114 2.78346 48.3141 15.1331 16.2114 15.1332 -54.3051 GPRESSAVG: 2929600 36.5016 2.08653 15.0929 3.76639 47.0904 15.9948 17.3414 12.387 -54.8873 TIMING: 2929600 CPU: 8824.22, 0.00298446/step Wall: 8824.22, 0.00298446/step, 1.71639 hours remaining, 209.203125 MB of memory in use. ENERGY: 2929600 761.1584 2124.8149 1920.4303 109.5359 -206318.3354 17877.3659 0.0000 0.0000 34276.2149 -149248.8152 299.3427 -183525.0301 -149151.8107 299.6081 57.8086 92.0410 554857.2845 9.4609 9.5682 PRESSURE: 2929800 -47.0599 231.237 130.761 231.235 125.392 156.627 130.761 156.628 -180.622 GPRESSURE: 2929800 6.1643 107.78 171.566 303.356 149.523 104.488 49.5377 188.622 -158.888 PRESSAVG: 2929800 -8.05348 14.7214 18.5904 14.7214 29.0494 -5.52345 18.5905 -5.52351 -16.8202 GPRESSAVG: 2929800 -8.979 13.5578 18.9919 14.2369 29.9683 -4.83297 16.8176 -4.90854 -16.9463 TIMING: 2929800 CPU: 8824.81, 0.00296114/step Wall: 8824.81, 0.00296114/step, 1.70282 hours remaining, 209.203125 MB of memory in use. ENERGY: 2929800 740.9535 2095.0483 1956.6575 113.3582 -206221.2296 17871.0630 0.0000 0.0000 34360.6338 -149083.5153 300.0800 -183444.1491 -148989.6630 299.7142 -34.0964 -1.0671 556857.2751 1.3919 1.3477 PRESSURE: 2930000 -367.808 -60.722 74.652 -60.7223 -110.051 73.3263 74.6509 73.3269 -206.898 GPRESSURE: 2930000 -316.695 -29.6076 92.3311 -42.6984 -57.369 225.033 91.1422 -108.472 -215.281 PRESSAVG: 2930000 -32.2076 -0.394256 -21.916 -0.394247 3.35034 32.0973 -21.916 32.0974 -9.35094 GPRESSAVG: 2930000 -30.9912 3.68777 -21.05 -2.04978 2.16315 31.3722 -21.0546 32.522 -9.69303 TIMING: 2930000 CPU: 8825.4, 0.0029778/step Wall: 8825.4, 0.0029778/step, 1.71223 hours remaining, 209.203125 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: 2930000 829.1741 2071.1705 1912.0131 106.7177 -205908.0593 17518.3230 0.0000 0.0000 34403.2468 -149067.4141 300.4521 -183470.6609 -148983.1579 299.6369 -228.2523 -196.4484 557045.6432 -12.7361 -12.8403 PRESSURE: 2930200 68.7261 70.951 46.5731 70.951 -44.2117 92.6651 46.5732 92.6637 -203.457 GPRESSURE: 2930200 103.459 80.4853 122.814 57.5466 5.82859 31.966 -1.68794 79.6831 -204.058 PRESSAVG: 2930200 9.10514 -41.3935 -2.65961 -41.3936 32.2468 -74.0076 -2.65956 -74.0075 -86.2859 GPRESSAVG: 2930200 9.49381 -44.3066 -3.6668 -40.3477 31.8516 -72.2143 -2.79544 -74.6104 -86.2923 TIMING: 2930200 CPU: 8826, 0.0029832/step Wall: 8826, 0.0029832/step, 1.71518 hours remaining, 209.269531 MB of memory in use. ENERGY: 2930200 785.9014 2071.8013 1936.3773 113.0580 -206188.0909 17763.8320 0.0000 0.0000 34200.4625 -149316.6585 298.6811 -183517.1210 -149226.3376 299.6128 -59.6475 -31.5901 556892.0461 -14.9780 -14.9823 PRESSURE: 2930400 146.813 107.55 -81.8367 107.549 -155.236 13.2635 -81.8367 13.2645 -4.98991 GPRESSURE: 2930400 235.594 171.458 -136.015 80.9409 -136.556 -56.977 -72.0168 28.0464 -7.30688 PRESSAVG: 2930400 15.891 5.4195 -24.2346 5.41947 -37.4609 -24.4833 -24.2346 -24.4833 -7.96317 GPRESSAVG: 2930400 14.288 5.42882 -23.4606 6.28483 -36.4288 -27.4294 -24.537 -22.1646 -7.78513 TIMING: 2930400 CPU: 8826.6, 0.00299038/step Wall: 8826.6, 0.00299038/step, 1.71914 hours remaining, 209.269531 MB of memory in use. ENERGY: 2930400 723.3452 2067.2564 1938.8111 115.9707 -206552.9783 18028.9904 0.0000 0.0000 34327.3803 -149351.2241 299.7896 -183678.6044 -149257.6325 298.7983 -4.4710 30.5770 557407.7273 -9.8444 -9.9753 PRESSURE: 2930600 71.1005 42.5613 132.418 42.5613 -236.48 140.967 132.418 140.967 107.359 GPRESSURE: 2930600 94.1792 84.5648 98.4694 54.534 -179.478 123.256 85.0566 236.452 117.926 PRESSAVG: 2930600 38.589 26.288 -75.1979 26.288 -12.6035 -18.2283 -75.198 -18.2284 1.55574 GPRESSAVG: 2930600 39.5125 26.2461 -75.7601 26.2989 -13.7883 -18.5665 -74.2803 -19.4808 2.03767 TIMING: 2930600 CPU: 8827.2, 0.00300997/step Wall: 8827.2, 0.00300997/step, 1.73023 hours remaining, 209.269531 MB of memory in use. ENERGY: 2930600 716.6439 2099.1614 1926.8057 121.6721 -206299.3519 17870.2269 0.0000 0.0000 34149.1661 -149415.6758 298.2332 -183564.8419 -149320.2546 299.3336 -19.3404 10.8757 558265.0554 9.1804 9.2540 PRESSURE: 2930800 -180.776 -95.4708 29.1535 -95.4711 -61.9874 76.8154 29.1537 76.8141 -154.239 GPRESSURE: 2930800 -90.2966 -183.773 89.7481 -33.3745 -57.7465 92.0992 28.285 29.2022 -149.481 PRESSAVG: 2930800 9.65292 70.3136 -15.0616 70.3137 -23.4262 -47.6459 -15.0617 -47.646 73.3683 GPRESSAVG: 2930800 7.79385 71.8426 -14.1931 71.0431 -21.8125 -45.7045 -16.2023 -49.1492 73.376 TIMING: 2930800 CPU: 8827.81, 0.00303828/step Wall: 8827.81, 0.00303828/step, 1.74634 hours remaining, 209.269531 MB of memory in use. ENERGY: 2930800 761.4354 2104.9442 1912.3208 103.3620 -206207.9847 17691.3635 0.0000 0.0000 34189.7530 -149444.8059 298.5876 -183634.5589 -149354.2877 298.6570 -132.3341 -99.1746 557452.2584 19.8650 19.7858 PRESSURE: 2931000 7.14957 141.959 32.2496 141.958 -13.6799 -41.0644 32.2502 -41.0652 -87.6408 GPRESSURE: 2931000 77.4357 164.315 75.897 160.202 11.5119 -7.6215 34.8912 15.645 -73.7022 PRESSAVG: 2931000 6.18299 13.4573 17.3203 13.4574 -36.7552 -3.97085 17.3203 -3.97093 15.0579 GPRESSAVG: 2931000 6.82168 13.5236 17.5928 11.8114 -36.4575 -5.38603 16.4668 -2.27975 13.6804 TIMING: 2931000 CPU: 8828.41, 0.00302582/step Wall: 8828.41, 0.00302582/step, 1.73901 hours remaining, 209.269531 MB of memory in use. ENERGY: 2931000 715.0228 2072.2086 1955.9648 102.4488 -206489.9068 17927.9296 0.0000 0.0000 34243.9057 -149472.4266 299.0605 -183716.3323 -149378.8080 297.7398 -31.3904 5.0818 557998.0439 -5.1714 -5.3185 PRESSURE: 2931200 -69.1006 82.9446 48.7773 82.9434 53.0402 75.0947 48.7766 75.0933 -138.152 GPRESSURE: 2931200 -59.2358 61.0415 40.4744 32.4101 100.295 -1.67692 79.1471 80.3135 -99.211 PRESSAVG: 2931200 -6.48338 18.366 60.5465 18.3661 10.5911 7.95328 60.5464 7.95321 -51.1557 GPRESSAVG: 2931200 -6.3964 16.19 58.5417 19.1868 10.6712 8.65782 63.0647 4.93572 -51.3911 TIMING: 2931200 CPU: 8829.02, 0.00303708/step Wall: 8829.02, 0.00303708/step, 1.74531 hours remaining, 209.269531 MB of memory in use. ENERGY: 2931200 734.0439 2081.7616 1942.3834 119.0687 -206226.8356 17753.0321 0.0000 0.0000 34105.1736 -149491.3723 297.8490 -183596.5459 -149392.4246 297.4669 -51.4040 -19.3840 557359.7456 -15.6826 -15.7054 PRESSURE: 2931400 -77.6089 -95.4652 122.141 -95.4651 52.8708 41.2963 122.142 41.2955 45.2864 GPRESSURE: 2931400 -15.8528 -59.0672 22.7156 -137.159 118.722 147.452 163.881 -30.812 16.1746 PRESSAVG: 2931400 -14.7058 27.3514 -1.7785 27.3515 14.5168 31.8424 -1.77852 31.8423 8.20671 GPRESSAVG: 2931400 -15.3389 28.4887 0.824647 28.5009 14.5103 31.8665 -4.48703 34.5752 9.02876 TIMING: 2931400 CPU: 8829.63, 0.00302454/step Wall: 8829.63, 0.00302454/step, 1.73794 hours remaining, 209.269531 MB of memory in use. ENERGY: 2931400 698.0215 2122.6528 1949.1785 119.5505 -205938.7878 17641.7464 0.0000 0.0000 34050.6354 -149357.0029 297.3727 -183407.6383 -149260.3112 298.4125 6.8495 39.6814 557410.0539 2.6726 2.7334 PRESSURE: 2931600 193.178 13.6903 54.8676 13.6893 -53.7676 -32.7109 54.8677 -32.7099 -186.844 GPRESSURE: 2931600 179.779 10.1402 113.232 -15.116 -16.3335 -95.2038 66.8463 -26.7451 -115.544 PRESSAVG: 2931600 45.0113 14.598 -10.7183 14.598 30.2917 1.27388 -10.7184 1.27382 -49.7952 GPRESSAVG: 2931600 45.742 16.5952 -11.784 12.474 29.6404 0.699971 -8.35644 1.42409 -49.3326 TIMING: 2931600 CPU: 8830.23, 0.0030167/step Wall: 8830.23, 0.0030167/step, 1.73326 hours remaining, 209.269531 MB of memory in use. ENERGY: 2931600 775.3227 2054.8473 1928.9760 116.7614 -206366.2205 17782.5556 0.0000 0.0000 34324.7449 -149383.0125 299.7665 -183707.7575 -149289.5654 298.7619 -15.8111 15.9672 556026.3328 8.5026 8.6833 PRESSURE: 2931800 403.125 32.6355 -121.591 32.6361 111.225 55.4682 -121.591 55.4713 -49.5202 GPRESSURE: 2931800 468.113 2.67127 -140.582 116.202 134.818 55.7211 -121.371 18.0252 -38.5977 PRESSAVG: 2931800 22.8097 9.16691 -10.4091 9.16687 -12.3957 19.426 -10.4091 19.4261 -6.80525 GPRESSAVG: 2931800 23.5954 6.07068 -10.4731 10.2787 -12.2841 19.188 -11.3386 18.9012 -7.70995 TIMING: 2931800 CPU: 8830.84, 0.00303833/step Wall: 8830.84, 0.00303833/step, 1.74552 hours remaining, 209.269531 MB of memory in use. ENERGY: 2931800 759.9191 2096.0265 1943.2620 117.0547 -206518.2018 18031.7290 0.0000 0.0000 34366.9287 -149203.2819 300.1349 -183570.2105 -149103.0474 298.8981 154.9433 188.1111 555992.7113 1.2029 1.2004 PRESSURE: 2932000 -43.3157 -104.122 102.055 -104.121 -167.561 -56.7106 102.055 -56.711 -151.063 GPRESSURE: 2932000 -31.5878 -175.651 126.247 -80.8178 -132.266 -36.6119 42.7234 -42.2716 -106.915 PRESSAVG: 2932000 76.8541 20.4258 -14.0623 20.4258 -14.7971 -43.7473 -14.0623 -43.7473 -15.3766 GPRESSAVG: 2932000 75.8016 22.3226 -15.102 17.9069 -16.4627 -42.8803 -13.1394 -43.653 -13.7717 TIMING: 2932000 CPU: 8831.44, 0.00301783/step Wall: 8831.44, 0.00301783/step, 1.73358 hours remaining, 209.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2932000 757.6537 2103.1894 1949.3908 102.2098 -205633.4778 17433.3349 0.0000 0.0000 34183.1781 -149104.5211 298.5302 -183287.6992 -149009.4250 299.6852 -120.6465 -90.2564 557702.7949 15.5601 15.1891 PRESSURE: 2932200 -133.249 39.9954 -1.10615 39.9961 -207.506 193.459 -1.10706 193.459 178.354 GPRESSURE: 2932200 -179.667 13.0011 80.9827 -41.4582 -102.32 123.708 -32.5482 194.882 211.097 PRESSAVG: 2932200 24.8213 -11.1342 -36.4333 -11.1341 -19.7837 83.0753 -36.4333 83.0754 -42.54 GPRESSAVG: 2932200 25.7002 -12.2264 -35.2824 -8.35505 -19.3366 83.1449 -38.2757 83.0363 -42.9891 TIMING: 2932200 CPU: 8832.05, 0.00303851/step Wall: 8832.05, 0.00303851/step, 1.74529 hours remaining, 209.269531 MB of memory in use. ENERGY: 2932200 777.8732 2113.4592 1995.2953 123.7801 -206291.2443 17803.1467 0.0000 0.0000 34421.5716 -149056.1182 300.6121 -183477.6898 -148958.7322 299.0131 -54.1337 -23.6299 556737.7491 -12.5008 -12.2085 LDB: ============= START OF LOAD BALANCING ============== 8835.57 LDB: ============== END OF LOAD BALANCING =============== 8835.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8835.57 LDB: ============= START OF LOAD BALANCING ============== 8835.88 LDB: Largest compute 4772 load 0.026381 is 22.3% of average load 0.118119 LDB: Average compute 0.001719 is 1.5% of average load 0.118119 LDB: TIME 8835.88 LOAD: AVG 0.118119 MAX 0.211148 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.812 MB LDB: TIME 8835.88 LOAD: AVG 0.118119 MAX 0.211148 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.055 MB LDB: TIME 8835.88 LOAD: AVG 0.118119 MAX 0.211148 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.055 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8835.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8835.89 PRESSURE: 2932400 254.125 -78.0634 -55.9037 -78.0651 -4.36658 -165.168 -55.9036 -165.169 158.946 GPRESSURE: 2932400 231.665 -108.959 -144.025 -112.949 55.3364 -85.0368 -61.2678 -129.657 204.893 PRESSAVG: 2932400 20.9221 13.2579 -16.0691 13.2579 -59.6226 35.9476 -16.069 35.9476 18.3922 GPRESSAVG: 2932400 20.2385 14.2836 -18.4561 12.1869 -59.3862 34.3503 -12.918 37.9621 18.6797 TIMING: 2932400 CPU: 8832.67, 0.00311445/step Wall: 8832.67, 0.00311445/step, 1.78873 hours remaining, 207.406250 MB of memory in use. ENERGY: 2932400 724.9784 2096.3770 1926.6846 121.6398 -206468.3939 17944.8016 0.0000 0.0000 34514.7917 -149139.1209 301.4263 -183653.9126 -149042.8201 299.8727 136.2347 163.9648 557427.8250 -6.7694 -6.8226 PRESSURE: 2932600 193.41 94.4472 44.8807 94.4476 10.343 39.1938 44.88 39.1938 179.872 GPRESSURE: 2932600 227.531 122.948 146.626 113.194 62.6424 87.6589 -34.8568 23.5306 185.648 PRESSAVG: 2932600 39.0695 5.87167 -12.0741 5.87165 -66.8093 6.07483 -12.0742 6.07493 11.648 GPRESSAVG: 2932600 38.2987 6.64976 -9.77756 7.53517 -66.4672 7.90519 -14.5133 3.38941 11.9564 TIMING: 2932600 CPU: 8833.28, 0.00302996/step Wall: 8833.28, 0.00302996/step, 1.74004 hours remaining, 207.406250 MB of memory in use. ENERGY: 2932600 769.4848 2062.6723 1975.6301 108.7560 -206139.9034 17850.8412 0.0000 0.0000 34276.2526 -149096.2662 299.3430 -183372.5188 -148990.2697 299.9683 127.8753 158.6073 555804.9113 -5.3639 -5.4040 PRESSURE: 2932800 -0.0366431 101.058 -133.702 101.059 -220.549 69.3639 -133.701 69.3633 -199.377 GPRESSURE: 2932800 19.9187 49.7976 -84.9739 60.6672 -162.078 81.034 -196.961 73.7248 -187.944 PRESSAVG: 2932800 27.1559 -11.3583 -35.7089 -11.3583 -73.4111 -1.98516 -35.7089 -1.98517 -7.65764 GPRESSAVG: 2932800 28.1065 -11.3014 -35.1235 -13.6629 -73.1535 -4.18009 -34.1602 -0.307312 -8.59819 TIMING: 2932800 CPU: 8833.88, 0.00301825/step Wall: 8833.88, 0.00301825/step, 1.73315 hours remaining, 207.406250 MB of memory in use. ENERGY: 2932800 758.1514 2144.8312 1938.0245 119.0321 -206353.0683 17601.8073 0.0000 0.0000 34536.9963 -149254.2255 301.6202 -183791.2218 -149155.1373 299.4912 -139.9874 -110.0346 555540.3269 -17.9709 -17.8817 PRESSURE: 2933000 19.2053 322.824 -88.2757 322.825 -66.9408 -47.7535 -88.2762 -47.7545 -192.846 GPRESSURE: 2933000 -23.2 249.601 -43.3206 300.287 30.3615 -19.6294 -122.369 -125.206 -145.678 PRESSAVG: 2933000 -34.5755 -12.5355 -2.343 -12.5355 42.722 -15.9144 -2.34285 -15.9144 53.9506 GPRESSAVG: 2933000 -34.6389 -12.5173 -2.20794 -9.55477 41.7563 -14.5098 -4.0009 -16.5087 54.8133 TIMING: 2933000 CPU: 8834.48, 0.00300114/step Wall: 8834.48, 0.00300114/step, 1.72316 hours remaining, 207.406250 MB of memory in use. ENERGY: 2933000 790.6727 2140.9765 1958.8432 120.2157 -206304.3759 17812.4424 0.0000 0.0000 34229.8136 -149251.4117 298.9375 -183481.2254 -149156.1153 299.8489 -80.1938 -46.1722 556698.3299 20.6990 20.6435 PRESSURE: 2933200 93.0228 -102.758 -108.59 -102.757 -151.332 -7.00565 -108.591 -7.00419 -124.763 GPRESSURE: 2933200 58.4449 -80.0866 -95.8986 -232.964 -114.511 48.9236 -205.861 -28.5329 -36.6536 PRESSAVG: 2933200 29.076 -10.3852 -48.1711 -10.3852 -60.3585 29.1547 -48.1711 29.1545 37.0568 GPRESSAVG: 2933200 29.1533 -9.44965 -50.1069 -11.9586 -59.7036 28.0031 -47.4204 28.8977 36.054 TIMING: 2933200 CPU: 8835.08, 0.00302259/step Wall: 8835.08, 0.00302259/step, 1.7353 hours remaining, 207.406250 MB of memory in use. ENERGY: 2933200 750.2501 2129.0681 1926.2446 114.8796 -206366.5122 17624.4551 0.0000 0.0000 34368.9051 -149452.7094 300.1522 -183821.6146 -149346.9070 299.7741 -61.0238 -30.9066 556153.3928 1.9247 1.8346 PRESSURE: 2933400 -382.611 -48.3859 61.1245 -48.3849 -200.09 205.543 61.1239 205.543 -100.775 GPRESSURE: 2933400 -329.325 14.4775 196.564 7.19575 -167.285 227.062 -18.0629 113.604 -91.3326 PRESSAVG: 2933400 -4.75718 -2.60875 -24.6286 -2.6088 -52.8596 28.793 -24.6285 28.793 72.6872 GPRESSAVG: 2933400 -4.85176 -3.52277 -23.4695 -3.32648 -53.1314 31.9685 -26.0516 28.5837 72.4472 TIMING: 2933400 CPU: 8835.69, 0.00303027/step Wall: 8835.69, 0.00303027/step, 1.73954 hours remaining, 207.406250 MB of memory in use. ENERGY: 2933400 736.1151 2101.6220 1922.5681 102.0130 -205793.1232 17499.1036 0.0000 0.0000 34040.4840 -149391.2174 297.2840 -183431.7014 -149302.9508 299.1593 -227.8256 -195.9810 557961.3389 5.0235 4.8213 PRESSURE: 2933600 -110.685 -85.4125 51.0741 -85.4125 -101.231 -6.25507 51.0722 -6.25351 -297.057 GPRESSURE: 2933600 -95.1229 -131.432 175.059 -165.573 -55.1786 -23.2165 -15.2729 -9.71042 -251.136 PRESSAVG: 2933600 -44.0434 30.4056 2.01531 30.4056 -14.477 -19.1072 2.01522 -19.1071 31.2162 GPRESSAVG: 2933600 -44.0776 30.4809 3.33817 30.6193 -15.5913 -22.074 2.69263 -18.2242 32.5834 TIMING: 2933600 CPU: 8836.29, 0.00299945/step Wall: 8836.29, 0.00299945/step, 1.72169 hours remaining, 207.406250 MB of memory in use. ENERGY: 2933600 762.0146 2111.0349 1942.6500 109.5255 -206409.1423 17718.4044 0.0000 0.0000 34353.5228 -149411.9899 300.0179 -183765.5128 -149319.6336 298.6798 -169.6574 -133.8126 556651.4685 -9.1014 -9.0285 PRESSURE: 2933800 -49.2956 -66.9544 126.789 -66.9544 -274.126 -18.9745 126.789 -18.9749 -220.134 GPRESSURE: 2933800 -54.6495 -71.3138 101.214 -57.4151 -200.342 24.9769 145.625 -3.1154 -198.39 PRESSAVG: 2933800 -11.1842 -44.7893 -23.8839 -44.7892 -17.4542 15.7843 -23.884 15.7844 -7.11671 GPRESSAVG: 2933800 -11.4202 -44.0256 -25.8285 -45.1023 -16.8288 16.7766 -23.9488 15.302 -7.70817 TIMING: 2933800 CPU: 8836.9, 0.00302383/step Wall: 8836.9, 0.00302383/step, 1.73551 hours remaining, 207.406250 MB of memory in use. ENERGY: 2933800 754.0193 2044.1894 1918.6799 118.9802 -205847.0218 17543.3107 0.0000 0.0000 34113.3288 -149354.5135 297.9202 -183467.8424 -149259.3537 298.4171 -181.1852 -151.1271 559189.0846 -11.9184 -11.9857 PRESSURE: 2934000 -220.029 231.462 -37.5512 231.463 -122.868 73.2146 -37.5511 73.2157 134.705 GPRESSURE: 2934000 -124.342 247.246 -113.584 166.223 -110.507 -14.2193 -8.29543 74.8267 120.406 PRESSAVG: 2934000 -10.1115 -20.1838 13.4044 -20.1838 -25.284 1.72994 13.4046 1.73 28.3674 GPRESSAVG: 2934000 -10.8236 -19.9712 12.0553 -21.1229 -24.7073 1.63081 14.8007 1.61827 28.6033 TIMING: 2934000 CPU: 8837.49, 0.0029962/step Wall: 8837.49, 0.0029962/step, 1.71949 hours remaining, 207.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2934000 752.8903 2080.4856 1951.9478 112.7954 -206043.6582 17630.3167 0.0000 0.0000 34261.8647 -149253.3577 299.2174 -183515.2224 -149165.0712 298.9294 -69.3975 -38.1475 556686.7255 -2.3427 -2.3092 PRESSURE: 2934200 -142.312 -89.8819 -102.075 -89.8818 -14.8792 97.4551 -102.075 97.4536 -289.207 GPRESSURE: 2934200 -134.314 -131.519 -185.03 -117.193 -1.03773 29.6423 -55.7042 144.598 -210.124 PRESSAVG: 2934200 -25.4523 -43.563 -9.16552 -43.5629 -26.5996 -14.367 -9.16545 -14.3669 61.6958 GPRESSAVG: 2934200 -25.1183 -45.5349 -7.39943 -42.3975 -27.1285 -13.6076 -9.14263 -15.625 61.4957 TIMING: 2934200 CPU: 8838.1, 0.00300965/step Wall: 8838.1, 0.00300965/step, 1.72704 hours remaining, 207.406250 MB of memory in use. ENERGY: 2934200 721.0659 2137.6004 1939.5873 121.0867 -205678.0204 17587.3785 0.0000 0.0000 33965.5046 -149205.7971 296.6292 -183171.3017 -149109.9769 299.1926 -148.7995 -115.1587 556751.6547 3.2146 3.0829 PRESSURE: 2934400 -54.8114 -95.1501 184.81 -95.1497 -190.134 -158.886 184.81 -158.885 -103.613 GPRESSURE: 2934400 -56.7129 -52.8479 144.486 -121.933 -166.614 -188.606 145.259 -127.61 -17.8698 PRESSAVG: 2934400 32.2852 -12.7689 -69.5894 -12.7689 -20.9781 -29.6838 -69.5895 -29.6838 5.57457 GPRESSAVG: 2934400 32.2561 -12.6342 -68.827 -12.6975 -20.45 -30.8629 -70.1232 -28.6679 4.7828 TIMING: 2934400 CPU: 8838.7, 0.00300925/step Wall: 8838.7, 0.00300925/step, 1.72664 hours remaining, 207.406250 MB of memory in use. ENERGY: 2934400 749.5746 2098.8733 1921.7465 125.6874 -206250.6228 17672.9784 0.0000 0.0000 34406.5252 -149275.2376 300.4807 -183681.7627 -149172.8735 299.1352 -116.1862 -80.3989 556576.5807 5.6272 5.5296 PRESSURE: 2934600 105.945 31.1533 -31.7836 31.1534 127.873 -126.427 -31.782 -126.425 -119.794 GPRESSURE: 2934600 156.402 43.3616 -22.9379 -37.343 163.501 -117.453 2.90194 -146.238 -104.73 PRESSAVG: 2934600 -8.71252 -23.3922 5.72203 -23.3922 2.65381 -63.4642 5.72203 -63.4643 -5.64407 GPRESSAVG: 2934600 -8.23673 -21.0073 7.49886 -23.8722 2.91747 -61.9762 4.6239 -63.7124 -5.81811 TIMING: 2934600 CPU: 8839.3, 0.00300972/step Wall: 8839.3, 0.00300972/step, 1.72674 hours remaining, 207.406250 MB of memory in use. ENERGY: 2934600 786.1486 2055.4975 1934.3072 104.2631 -206569.8340 17949.9203 0.0000 0.0000 34283.4552 -149456.2422 299.4059 -183739.6974 -149355.1963 298.4421 38.0077 71.7246 557487.4645 -3.9009 -3.7125 PRESSURE: 2934800 -445.162 0.0654971 17.0874 0.0638608 -2.58138 101.164 17.0881 101.165 -381.039 GPRESSURE: 2934800 -345.631 -4.87081 31.6063 6.80747 -0.152816 30.6757 -22.1232 146.655 -366.755 PRESSAVG: 2934800 35.9268 16.0286 7.7134 16.0286 61.4146 -25.1223 7.71341 -25.1225 -69.5436 GPRESSAVG: 2934800 36.4512 15.5046 5.59074 17.0748 60.7846 -26.4594 7.93735 -25.0952 -69.1965 TIMING: 2934800 CPU: 8839.91, 0.00303765/step Wall: 8839.91, 0.00303765/step, 1.7426 hours remaining, 207.406250 MB of memory in use. ENERGY: 2934800 754.3928 2057.8000 1938.7376 119.1806 -205867.4857 17427.4967 0.0000 0.0000 34020.0483 -149549.8298 297.1055 -183569.8781 -149454.3979 298.0926 -276.2607 -237.5130 557325.6872 9.2659 9.3464 PRESSURE: 2935000 97.1207 60.9889 53.7993 60.9889 82.7915 -56.738 53.8 -56.7383 -155.757 GPRESSURE: 2935000 140.42 49.0902 85.7519 121.36 133.528 48.545 -18.791 -93.2244 -160.836 PRESSAVG: 2935000 13.7828 36.6066 -5.25942 36.6067 37.9152 -6.44031 -5.25946 -6.44025 -37.3632 GPRESSAVG: 2935000 13.98 35.8958 -5.59055 36.0436 38.4605 -6.93159 -3.87889 -5.49988 -38.2447 TIMING: 2935000 CPU: 8840.51, 0.00302031/step Wall: 8840.51, 0.00302031/step, 1.73249 hours remaining, 207.406250 MB of memory in use. ENERGY: 2935000 768.2577 2132.2711 1941.9330 103.2902 -206573.1819 17914.4137 0.0000 0.0000 34245.8675 -149467.1488 299.0777 -183713.0162 -149367.3274 298.4318 8.0516 37.7039 555772.2394 4.7783 4.7319 PRESSURE: 2935200 105.062 -122.273 114.709 -122.274 108.207 -3.40253 114.71 -3.40257 -67.2225 GPRESSURE: 2935200 86.7828 -144.585 110.086 -125.747 101.57 -48.5 82.9349 12.1737 41.2411 PRESSAVG: 2935200 -27.4377 21.1281 28.0872 21.1282 50.3111 -31.235 28.0872 -31.2351 -34.7976 GPRESSAVG: 2935200 -28.3243 22.8866 30.5516 20.2432 49.9497 -30.1862 25.9161 -33.1716 -33.1183 TIMING: 2935200 CPU: 8841.11, 0.00297881/step Wall: 8841.11, 0.00297881/step, 1.70851 hours remaining, 207.406250 MB of memory in use. ENERGY: 2935200 783.3596 2074.4448 1920.7402 115.1679 -206645.2402 18066.0483 0.0000 0.0000 34269.4674 -149416.0120 299.2838 -183685.4794 -149311.9473 298.4598 48.6820 76.5314 557100.1967 -3.9748 -3.8310 PRESSURE: 2935400 415.9 138.952 74.1693 138.952 -198.391 54.2916 74.1685 54.2922 350.337 GPRESSURE: 2935400 473.929 155.838 112.895 152.702 -186.203 149.036 -8.49376 50.7455 376.092 PRESSAVG: 2935400 -20.4915 13.9596 16.258 13.9595 -47.523 -9.44141 16.2579 -9.44146 74.0926 GPRESSAVG: 2935400 -20.2291 11.8929 16.4117 15.1613 -46.6287 -8.25889 18.2933 -8.27989 72.7131 TIMING: 2935400 CPU: 8841.71, 0.00302176/step Wall: 8841.71, 0.00302176/step, 1.73298 hours remaining, 207.406250 MB of memory in use. ENERGY: 2935400 716.7126 2113.7951 1945.8346 115.9764 -206880.0952 18240.8634 0.0000 0.0000 34224.1337 -149522.7794 298.8879 -183746.9130 -149430.2116 298.9567 189.2819 221.2726 558019.7946 2.0260 1.9517 PRESSURE: 2935600 -149.505 -3.04959 83.158 -3.04911 -251.418 58.6065 83.1583 58.6045 -92.2556 GPRESSURE: 2935600 -65.7041 -21.2906 169.13 24.0945 -244.405 74.8193 88.9356 43.1223 -82.9214 PRESSAVG: 2935600 57.0137 63.2354 18.2277 63.2354 -61.4827 -22.397 18.2277 -22.3969 10.3391 GPRESSAVG: 2935600 56.1686 61.6828 18.8761 64.1629 -62.361 -23.2062 17.5272 -21.2095 11.7883 TIMING: 2935600 CPU: 8842.32, 0.0030157/step Wall: 8842.32, 0.0030157/step, 1.72934 hours remaining, 207.406250 MB of memory in use. ENERGY: 2935600 768.9389 2057.7092 1929.0831 115.0925 -206289.2559 17743.0491 0.0000 0.0000 34155.2625 -149520.1206 298.2864 -183675.3830 -149419.2949 298.1894 -164.3929 -131.0102 557953.2448 1.9567 1.8653 PRESSURE: 2935800 72.8329 31.8846 1.11332 31.8841 -281.517 99.7688 1.11319 99.7689 -180.031 GPRESSURE: 2935800 54.737 -8.98803 85.049 90.028 -182.515 70.8055 -26.8234 33.9813 -164.285 PRESSAVG: 2935800 64.0647 95.2235 41.6663 95.2234 -81.466 12.865 41.6663 12.8651 -9.91708 GPRESSAVG: 2935800 65.3306 96.9021 40.4715 93.8961 -81.0659 11.3024 41.3292 11.9146 -11.5482 TIMING: 2935800 CPU: 8842.91, 0.00298823/step Wall: 8842.91, 0.00298823/step, 1.71342 hours remaining, 207.406250 MB of memory in use. ENERGY: 2935800 736.5260 2105.6788 1946.8035 121.7436 -206252.4886 17687.7169 0.0000 0.0000 34246.4852 -149407.5346 299.0831 -183654.0198 -149312.7060 298.6690 -129.5716 -97.3543 557488.7177 -9.1061 -9.0945 PRESSURE: 2936000 -51.6837 345.99 -50.086 345.989 76.3687 -78.3723 -50.0859 -78.3705 -139.607 GPRESSURE: 2936000 2.1426 439.31 0.916058 333.085 89.4822 -73.0517 -10.445 -12.2927 -114.811 PRESSAVG: 2936000 46.1935 54.3574 -2.45118 54.3574 -51.7751 10.0066 -2.45112 10.0067 6.87615 GPRESSAVG: 2936000 45.6097 54.5451 -3.42682 55.232 -50.839 10.1871 -2.41329 11.5307 6.61683 TIMING: 2936000 CPU: 8843.51, 0.00300261/step Wall: 8843.51, 0.00300261/step, 1.7215 hours remaining, 207.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2936000 743.0241 2121.9419 1962.3639 114.0334 -206134.1445 17740.2859 0.0000 0.0000 34111.9088 -149340.5865 297.9078 -183452.4953 -149244.0851 298.3350 -38.3073 -7.7288 558296.3056 0.4315 0.4625 PRESSURE: 2936200 136.219 -130.967 62.3748 -130.967 181.065 -10.1719 62.374 -10.1715 314.632 GPRESSURE: 2936200 121.008 -136.116 54.233 -113.976 230.162 137.129 -2.60182 -52.5271 375.095 PRESSAVG: 2936200 9.06752 20.7039 8.05277 20.704 -32.742 -13.2193 8.05285 -13.2193 4.46931 GPRESSAVG: 2936200 8.77312 22.5724 8.47172 17.9004 -32.4351 -10.641 6.70683 -14.413 4.37484 TIMING: 2936200 CPU: 8844.11, 0.00300193/step Wall: 8844.11, 0.00300193/step, 1.72094 hours remaining, 207.406250 MB of memory in use. ENERGY: 2936200 729.8696 2118.0811 1946.9100 121.2865 -206276.1365 18080.5162 0.0000 0.0000 33914.7816 -149364.6914 296.1862 -183279.4730 -149273.2768 297.9876 210.6386 242.0886 557211.9270 -6.4017 -6.4290 LDB: ============= START OF LOAD BALANCING ============== 8847.63 LDB: ============== END OF LOAD BALANCING =============== 8847.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8847.64 LDB: ============= START OF LOAD BALANCING ============== 8847.94 LDB: Largest compute 4772 load 0.026239 is 22.2% of average load 0.118086 LDB: Average compute 0.001724 is 1.5% of average load 0.118086 LDB: TIME 8847.94 LOAD: AVG 0.118086 MAX 0.206457 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.918 MB LDB: TIME 8847.94 LOAD: AVG 0.118086 MAX 0.206457 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.918 MB LDB: TIME 8847.94 LOAD: AVG 0.118086 MAX 0.206457 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.918 MB LDB: ============== END OF LOAD BALANCING =============== 8847.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8847.95 PRESSURE: 2936400 117.967 -27.8124 -2.21978 -27.8096 -15.1801 77.6362 -2.22003 77.6366 34.4788 GPRESSURE: 2936400 151.625 62.4967 -10.3186 15.6067 62.5103 83.4747 80.2086 66.9986 29.0794 PRESSAVG: 2936400 23.303 27.0543 19.1734 27.0543 -0.122295 18.6254 19.1734 18.6255 31.2 GPRESSAVG: 2936400 24.5833 26.3278 20.1386 28.7378 -0.993908 17.9455 20.1213 17.1904 31.2745 TIMING: 2936400 CPU: 8844.73, 0.00308546/step Wall: 8844.73, 0.00308546/step, 1.76865 hours remaining, 209.769531 MB of memory in use. ENERGY: 2936400 757.2287 2106.1098 1936.1633 112.0166 -206608.2363 18139.3123 0.0000 0.0000 34011.4366 -149545.9690 297.0303 -183557.4056 -149450.9305 298.3678 45.7551 81.0715 556712.2474 18.1269 18.2880 PRESSURE: 2936600 -157.707 226.91 48.9016 226.911 -86.6236 -60.3383 48.9021 -60.338 -45.4956 GPRESSURE: 2936600 -116.528 227.173 68.3154 222.853 -55.2404 -128.842 42.4558 -44.5786 -29.0613 PRESSAVG: 2936600 0.209201 11.3939 45.5066 11.3939 -4.72897 10.8906 45.5066 10.8906 24.5002 GPRESSAVG: 2936600 0.919205 9.31952 44.1559 12.7953 -5.68744 9.49709 46.7113 12.7798 24.4577 TIMING: 2936600 CPU: 8845.34, 0.00303338/step Wall: 8845.34, 0.00303338/step, 1.73863 hours remaining, 209.839844 MB of memory in use. ENERGY: 2936600 727.6012 2104.6950 1930.7027 107.2617 -206232.7682 17586.2651 0.0000 0.0000 34165.4609 -149610.7816 298.3755 -183776.2426 -149507.6555 298.2066 -96.6089 -66.9431 557227.8932 6.6601 6.5632 PRESSURE: 2936800 -3.86184 -79.6809 31.2139 -79.68 -3.60705 -166.463 31.2142 -166.464 -28.4721 GPRESSURE: 2936800 52.607 -92.4411 0.175675 -62.1031 2.51301 -125.021 53.9342 -148.455 -8.38454 PRESSAVG: 2936800 26.9462 -17.9333 46.7951 -17.9334 -39.7314 -0.267149 46.7952 -0.267214 -27.1066 GPRESSAVG: 2936800 26.4922 -16.8708 47.369 -17.6917 -39.4938 1.12148 46.311 -1.20245 -26.5973 TIMING: 2936800 CPU: 8845.93, 0.00296659/step Wall: 8845.93, 0.00296659/step, 1.70019 hours remaining, 209.839844 MB of memory in use. ENERGY: 2936800 730.3540 2066.9398 1954.2019 111.8012 -206296.7379 17820.0999 0.0000 0.0000 33908.3900 -149704.9511 296.1304 -183613.3411 -149608.4283 298.3778 -11.9803 15.5785 556570.6167 -13.2972 -13.1997 PRESSURE: 2937000 -223.43 72.9026 -100.924 72.9034 -148.804 286.389 -100.923 286.388 66.4408 GPRESSURE: 2937000 -223.147 100.472 -83.9445 -18.9975 -66.588 297.608 -89.5214 265.874 87.9482 PRESSAVG: 2937000 53.7378 -27.5278 10.5869 -27.5278 -29.0268 41.1133 10.5868 41.1133 10.7256 GPRESSAVG: 2937000 52.3674 -25.4759 9.65333 -28.8376 -29.2079 42.0246 10.5469 40.1361 12.8586 TIMING: 2937000 CPU: 8846.53, 0.00298777/step Wall: 8846.53, 0.00298777/step, 1.71216 hours remaining, 209.839844 MB of memory in use. ENERGY: 2937000 732.8151 2126.1942 1913.8093 110.8108 -206184.6606 17768.3546 0.0000 0.0000 33922.2968 -149610.3797 296.2519 -183532.6765 -149511.7020 297.9073 -101.9310 -67.2624 558251.9982 11.8122 12.0061 PRESSURE: 2937200 304.88 9.0695 -103.712 9.06888 -47.6055 89.1923 -103.713 89.1913 -155.839 GPRESSURE: 2937200 290.263 47.3243 -97.062 100.574 26.634 44.7724 -144.455 54.6106 -121.305 PRESSAVG: 2937200 -31.0572 18.5548 17.4034 18.5548 41.8237 0.853838 17.4034 0.85392 -7.12242 GPRESSAVG: 2937200 -30.6763 19.7361 19.0403 20.4881 42.1514 1.37207 16.254 2.44056 -7.65944 TIMING: 2937200 CPU: 8847.13, 0.00299626/step Wall: 8847.13, 0.00299626/step, 1.71685 hours remaining, 209.839844 MB of memory in use. ENERGY: 2937200 767.0444 2061.9842 1953.4929 115.3014 -206520.5541 18025.0145 0.0000 0.0000 34136.9621 -149460.7546 298.1266 -183597.7167 -149373.2986 298.1266 33.8119 65.1976 556442.9829 1.2147 1.2719 PRESSURE: 2937400 -80.1174 35.0809 -2.56899 35.0802 -125.06 14.2495 -2.56848 14.2508 96.6634 GPRESSURE: 2937400 -79.6315 119.019 -52.4932 92.8339 -87.0457 -58.063 -0.521243 24.9356 144.184 PRESSAVG: 2937400 30.9451 3.63376 8.06176 3.6337 -0.931929 70.9225 8.06175 70.9225 -47.2756 GPRESSAVG: 2937400 31.0619 3.16823 6.9735 2.8997 -1.46599 68.9707 10.0742 70.8656 -46.4869 TIMING: 2937400 CPU: 8847.72, 0.00297758/step Wall: 8847.72, 0.00297758/step, 1.70599 hours remaining, 209.839844 MB of memory in use. ENERGY: 2937400 797.8843 2101.7385 1911.2892 92.3290 -206429.9553 17912.1540 0.0000 0.0000 34209.0008 -149405.5595 298.7557 -183614.5603 -149308.8965 298.7680 -36.1715 -7.4978 557920.2486 -5.7541 -5.6303 PRESSURE: 2937600 186.886 12.1554 -65.1742 12.1561 133.546 -55.2675 -65.1747 -55.2663 169.487 GPRESSURE: 2937600 221.82 -103.053 -89.5425 13.1158 128.66 -40.7629 -156.375 -143.686 219.582 PRESSAVG: 2937600 39.7203 9.60967 -26.6181 9.60972 -48.1629 -15.7732 -26.6181 -15.7732 29.9744 GPRESSAVG: 2937600 39.5315 8.21031 -26.9939 9.41277 -47.8794 -14.4484 -26.9991 -18.2932 29.5199 TIMING: 2937600 CPU: 8848.32, 0.00296448/step Wall: 8848.32, 0.00296448/step, 1.69832 hours remaining, 209.839844 MB of memory in use. ENERGY: 2937600 752.1751 2077.8043 1930.5167 112.0921 -206637.5128 18022.4439 0.0000 0.0000 34280.6067 -149461.8740 299.3811 -183742.4807 -149358.6825 298.2881 163.3063 190.0210 556431.8081 7.1772 7.0573 PRESSURE: 2937800 -48.6128 229.193 105.443 229.193 -6.70196 19.6116 105.442 19.6107 53.2119 GPRESSURE: 2937800 -69.3086 225.481 80.7215 221.516 42.8732 12.5602 92.8538 23.8627 119.718 PRESSAVG: 2937800 -28.7057 -15.918 -50.9866 -15.918 -13.3022 -30.5953 -50.9866 -30.5953 37.4951 GPRESSAVG: 2937800 -27.9186 -14.0845 -48.7657 -16.1558 -12.662 -30.6111 -53.0529 -29.3274 36.6455 TIMING: 2937800 CPU: 8848.92, 0.0030267/step Wall: 8848.92, 0.0030267/step, 1.73379 hours remaining, 209.839844 MB of memory in use. ENERGY: 2937800 779.4037 2110.7811 1914.8814 110.1292 -206818.0258 17981.1304 0.0000 0.0000 34356.5570 -149565.1430 300.0444 -183921.7001 -149472.9380 298.0346 -0.7009 31.0942 556067.3488 -1.5043 -1.3117 PRESSURE: 2938000 -231.662 -105.475 10.4104 -105.476 -278.24 86.4295 10.4117 86.43 134.285 GPRESSURE: 2938000 -184.484 -128.741 -33.0845 -30.6516 -200.761 102.87 89.1377 79.0466 101.504 PRESSAVG: 2938000 -60.2245 -3.98246 -43.7803 -3.98244 -4.23297 -8.20144 -43.7802 -8.20141 82.6012 GPRESSAVG: 2938000 -60.6094 -6.10579 -44.0985 -3.34916 -3.69399 -7.73298 -43.2492 -7.28185 82.8626 TIMING: 2938000 CPU: 8849.52, 0.00298796/step Wall: 8849.52, 0.00298796/step, 1.71143 hours remaining, 209.839844 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: 2938000 759.4365 2092.3722 1934.2836 117.0759 -206269.6413 17575.6412 0.0000 0.0000 34213.9092 -149576.9227 298.7986 -183790.8319 -149480.5520 298.0944 -125.2059 -94.5801 556665.4791 6.0479 6.1864 PRESSURE: 2938200 -271.723 -42.1056 -1.07227 -42.1057 177.224 -78.5823 -1.0716 -78.5815 165.1 GPRESSURE: 2938200 -229.414 -104.051 80.6713 -60.3681 235.486 -112.804 79.7176 -64.8069 167.083 PRESSAVG: 2938200 -27.4938 -15.252 59.0468 -15.252 21.9033 -15.0385 59.0468 -15.0384 28.1716 GPRESSAVG: 2938200 -27.6145 -15.1377 57.3589 -15.7907 22.1486 -16.5378 59.9577 -13.7894 28.1071 TIMING: 2938200 CPU: 8850.12, 0.00300242/step Wall: 8850.12, 0.00300242/step, 1.71955 hours remaining, 209.839844 MB of memory in use. ENERGY: 2938200 765.0789 2088.0557 1922.3016 97.6583 -206417.3565 17876.0739 0.0000 0.0000 34292.4529 -149375.7352 299.4845 -183668.1881 -149274.0434 298.8736 23.5338 57.7184 556907.2776 7.5270 7.5471 PRESSURE: 2938400 -130.969 49.5428 -26.8535 49.5425 -99.6918 -127.979 -26.8547 -127.978 -56.4724 GPRESSURE: 2938400 -132.913 114.434 60.6541 -35.5444 -52.2204 -111.096 -129.863 -117.079 -18.3331 PRESSAVG: 2938400 -20.8394 -5.06051 54.1649 -5.06065 63.0528 3.90349 54.1649 3.90341 -49.5594 GPRESSAVG: 2938400 -20.7046 -2.73911 55.6035 -5.04499 62.3104 5.70523 52.9967 0.909044 -49.0482 TIMING: 2938400 CPU: 8850.72, 0.00300954/step Wall: 8850.72, 0.00300954/step, 1.72346 hours remaining, 209.839844 MB of memory in use. ENERGY: 2938400 733.7659 2132.5288 1916.6422 102.4882 -206040.8388 17526.8773 0.0000 0.0000 34141.3742 -149487.1622 298.1651 -183628.5364 -149392.1278 298.4570 -95.7112 -67.8220 557865.3207 -2.4487 -2.4808 PRESSURE: 2938600 4.88765 -83.9772 -22.196 -83.9774 76.6619 114.026 -22.1961 114.027 -129.027 GPRESSURE: 2938600 9.13648 -42.6945 -42.6027 -164.901 132.853 92.8581 -77.8799 41.1287 -102.821 PRESSAVG: 2938600 66.8929 -39.1981 -37.2731 -39.1981 -29.8703 -25.054 -37.2731 -25.0539 -21.1321 GPRESSAVG: 2938600 67.8485 -40.7776 -36.143 -39.5017 -30.8107 -26.325 -38.7958 -23.447 -21.3461 TIMING: 2938600 CPU: 8851.32, 0.00299753/step Wall: 8851.32, 0.00299753/step, 1.71642 hours remaining, 209.839844 MB of memory in use. ENERGY: 2938600 729.4632 2140.8621 1928.8967 107.0673 -206116.3121 17593.7896 0.0000 0.0000 34128.1598 -149488.0735 298.0497 -183616.2333 -149390.4944 298.8832 -15.8259 13.0563 556251.4287 5.2968 5.2306 PRESSURE: 2938800 -179.73 48.1371 -43.0353 48.1347 -11.2869 52.0843 -43.035 52.0844 -155.87 GPRESSURE: 2938800 -134.222 53.1599 -72.2542 -23.2757 14.0601 114.208 -91.8543 73.5031 -137.276 PRESSAVG: 2938800 19.5861 32.0705 -45.629 32.0704 7.54102 -13.3926 -45.6289 -13.3927 -38.3424 GPRESSAVG: 2938800 18.9051 32.4647 -48.1977 33.6721 7.86662 -12.1877 -43.1405 -14.4756 -38.3209 TIMING: 2938800 CPU: 8851.92, 0.00299786/step Wall: 8851.92, 0.00299787/step, 1.71644 hours remaining, 209.839844 MB of memory in use. ENERGY: 2938800 745.8343 2116.5956 1934.1620 115.9571 -206183.0932 17608.3014 0.0000 0.0000 34256.9072 -149405.3355 299.1741 -183662.2428 -149308.3389 298.4848 -115.6289 -85.8124 557407.5022 -3.7384 -3.8497 PRESSURE: 2939000 -117.384 -91.0386 48.5182 -91.04 -210.913 126.462 48.5184 126.462 -220.79 GPRESSURE: 2939000 -107.779 -29.8232 -4.95891 -106.228 -189.868 161.613 155.827 89.3404 -161.902 PRESSAVG: 2939000 19.0568 78.6594 -42.2668 78.6594 -22.0299 53.4284 -42.2669 53.4283 11.6468 GPRESSAVG: 2939000 19.3838 79.3803 -41.5068 76.3897 -22.8527 51.5618 -42.1754 53.2691 12.3238 TIMING: 2939000 CPU: 8852.52, 0.00300734/step Wall: 8852.52, 0.00300734/step, 1.7217 hours remaining, 209.839844 MB of memory in use. ENERGY: 2939000 764.4302 2133.8402 1944.1009 123.5465 -206220.4717 17670.0042 0.0000 0.0000 34208.3186 -149376.2312 298.7498 -183584.5498 -149279.1279 298.9469 -183.0290 -153.1829 558931.3968 2.8912 2.9516 PRESSURE: 2939200 56.6628 75.0054 -102.51 75.0057 -80.1858 193.55 -102.51 193.55 -86.6628 GPRESSURE: 2939200 100.399 79.0223 -88.2844 4.93361 -64.2699 145.111 -138.531 151.682 -40.4979 PRESSAVG: 2939200 19.6344 16.1135 22.1418 16.1137 -6.41189 15.6102 22.1418 15.6101 22.6261 GPRESSAVG: 2939200 19.6362 16.597 19.7143 16.8712 -5.59038 17.132 23.9403 14.4494 21.7897 TIMING: 2939200 CPU: 8853.11, 0.00296214/step Wall: 8853.11, 0.00296214/step, 1.69566 hours remaining, 209.839844 MB of memory in use. ENERGY: 2939200 748.8806 2098.8252 1929.0210 115.0321 -206525.6535 17875.9815 0.0000 0.0000 34395.1900 -149362.7231 300.3817 -183757.9131 -149271.2039 299.2725 -36.7286 -1.4563 557689.4366 11.9495 11.9452 PRESSURE: 2939400 224.076 103.841 134.398 103.841 102.566 33.5093 134.398 33.5105 153.829 GPRESSURE: 2939400 228.948 73.0936 171.571 106.25 169.598 55.4286 15.2694 0.857652 168.854 PRESSAVG: 2939400 8.453 -30.8037 10.8551 -30.8036 34.1823 19.2711 10.8552 19.2712 27.8404 GPRESSAVG: 2939400 7.31543 -32.1834 13.0203 -30.0376 35.5385 19.7131 8.68526 20.1769 27.5778 TIMING: 2939400 CPU: 8853.71, 0.00300104/step Wall: 8853.71, 0.00300104/step, 1.71776 hours remaining, 209.839844 MB of memory in use. ENERGY: 2939400 746.1034 2121.1380 1918.1136 110.3180 -206724.5228 18144.3155 0.0000 0.0000 34121.9978 -149562.5364 297.9959 -183684.5342 -149467.8864 298.8934 160.1568 189.1331 557239.2535 23.4919 23.4772 PRESSURE: 2939600 -9.62287 -125.543 6.66665 -125.543 125.493 43.9943 6.6645 43.9954 -204.028 GPRESSURE: 2939600 19.7363 -104.611 -88.6053 -73.6552 170.761 82.2187 70.9207 59.3037 -173.578 PRESSAVG: 2939600 14.8764 -6.64189 6.7024 -6.64186 33.8348 37.2384 6.7024 37.2386 -2.90158 GPRESSAVG: 2939600 15.572 -7.64948 6.0307 -7.31088 33.3034 34.6453 6.69339 39.8516 -2.62323 TIMING: 2939600 CPU: 8854.32, 0.00300586/step Wall: 8854.32, 0.00300586/step, 1.72035 hours remaining, 209.839844 MB of memory in use. ENERGY: 2939600 793.7775 2038.9864 1958.3245 122.2267 -206720.7772 17992.3013 0.0000 0.0000 34043.2279 -149771.9329 297.3080 -183815.1607 -149671.8851 298.9459 -29.3858 5.6398 556872.5955 15.2699 15.4174 PRESSURE: 2939800 -185.269 87.004 68.499 87.0036 -140.952 -239.93 68.4987 -239.93 58.0441 GPRESSURE: 2939800 -127.742 123.439 104.779 109.035 -126.958 -334.834 11.5036 -131.478 74.6836 PRESSAVG: 2939800 -48.1809 -29.6779 9.12369 -29.6779 25.6571 -50.782 9.12367 -50.782 16.7419 GPRESSAVG: 2939800 -47.349 -29.6269 10.3216 -29.0362 24.057 -50.731 9.36598 -53.2812 17.0734 TIMING: 2939800 CPU: 8854.91, 0.00299282/step Wall: 8854.91, 0.00299282/step, 1.71272 hours remaining, 209.839844 MB of memory in use. ENERGY: 2939800 759.4958 2129.1234 1969.9554 117.6951 -206455.8475 17742.2286 0.0000 0.0000 34177.1316 -149560.2176 298.4774 -183737.3492 -149462.0140 298.6448 -89.3921 -60.0056 556681.1675 -1.9273 -2.0728 PRESSURE: 2940000 40.8694 38.8851 -60.488 38.8859 -268.401 278.639 -60.4863 278.638 226.595 GPRESSURE: 2940000 65.3654 -22.9703 -42.2986 93.006 -197.718 351.533 -30.8364 215.129 229.124 PRESSAVG: 2940000 -6.26901 33.2594 32.955 33.2594 -54.9965 -2.76667 32.955 -2.76664 26.2366 GPRESSAVG: 2940000 -7.10979 33.6898 32.0588 36.059 -54.0579 -1.11206 32.1038 -2.09177 26.1703 TIMING: 2940000 CPU: 8855.51, 0.00298518/step Wall: 8855.51, 0.00298518/step, 1.70819 hours remaining, 209.839844 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: 2940000 748.8829 2101.9943 1944.5244 113.4535 -206184.3138 17882.9244 0.0000 0.0000 33898.0356 -149494.4986 296.0400 -183392.5342 -149404.4032 299.2446 -0.3120 32.2570 557783.1329 -11.6763 -11.6658 PRESSURE: 2940200 -34.9509 71.5795 155.524 71.5775 -15.397 109.809 155.524 109.809 95.959 GPRESSURE: 2940200 -30.5745 62.1085 182.926 105.618 61.5589 131.225 150.539 78.0257 108.415 PRESSAVG: 2940200 24.672 45.7277 -17.6733 45.7276 -25.47 21.7395 -17.6733 21.7395 55.7951 GPRESSAVG: 2940200 24.7894 47.536 -18.2812 43.9532 -24.0477 22.7507 -16.0153 22.8779 55.0127 TIMING: 2940200 CPU: 8856.11, 0.0030056/step Wall: 8856.11, 0.0030056/step, 1.71971 hours remaining, 209.839844 MB of memory in use. ENERGY: 2940200 732.8468 2061.9530 1937.9958 118.8193 -206365.0877 17969.7343 0.0000 0.0000 34043.2411 -149500.4975 297.3081 -183543.7385 -149398.4780 298.6229 15.2037 46.4666 559304.1474 18.3324 18.5848 LDB: ============= START OF LOAD BALANCING ============== 8859.63 LDB: ============== END OF LOAD BALANCING =============== 8859.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8859.63 LDB: ============= START OF LOAD BALANCING ============== 8859.94 LDB: Largest compute 4772 load 0.028811 is 24.4% of average load 0.118160 LDB: Average compute 0.001724 is 1.5% of average load 0.118160 LDB: TIME 8859.94 LOAD: AVG 0.11816 MAX 0.208763 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.738 MB LDB: TIME 8859.94 LOAD: AVG 0.11816 MAX 0.208763 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.941 MB LDB: TIME 8859.94 LOAD: AVG 0.11816 MAX 0.208763 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.941 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8859.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8859.94 PRESSURE: 2940400 -116.372 10.1606 107.524 10.1608 75.7111 -119.377 107.524 -119.377 -400.624 GPRESSURE: 2940400 -81.2013 15.7296 146.864 -97.2552 30.8358 -199.487 163.129 -11.5137 -294.195 PRESSAVG: 2940400 -14.6054 36.5233 -17.4622 36.5234 -0.918706 53.4031 -17.4622 53.403 32.7147 GPRESSAVG: 2940400 -15.8663 33.2165 -16.6629 37.0984 -1.18561 52.8911 -18.2491 52.2098 33.9568 TIMING: 2940400 CPU: 8856.73, 0.00307649/step Wall: 8856.73, 0.00307649/step, 1.76009 hours remaining, 209.324219 MB of memory in use. ENERGY: 2940400 742.9543 2163.1685 1924.3158 116.8514 -206663.9701 17870.3974 0.0000 0.0000 34242.6176 -149603.6650 299.0493 -183846.2826 -149501.5783 297.9289 -147.0951 -114.8534 558208.6042 5.7302 5.6350 PRESSURE: 2940600 -194.341 45.0708 -41.6078 45.0711 -206.423 -0.888573 -41.607 -0.888018 185.811 GPRESSURE: 2940600 -133.26 137.535 -62.8695 37.7772 -161.192 96.7335 -30.4129 7.4431 168.179 PRESSAVG: 2940600 -32.3377 -45.323 7.872 -45.3231 38.4507 7.67535 7.87196 7.67527 12.4163 GPRESSAVG: 2940600 -30.9696 -43.0309 5.1241 -46.5429 36.6979 6.58198 9.38727 8.09628 11.6008 TIMING: 2940600 CPU: 8857.33, 0.00302035/step Wall: 8857.33, 0.00302035/step, 1.72781 hours remaining, 209.324219 MB of memory in use. ENERGY: 2940600 705.5778 2034.8835 1950.9917 110.0169 -206273.1502 17829.5790 0.0000 0.0000 34151.6993 -149490.4019 298.2553 -183642.1012 -149389.0792 298.4928 -71.6509 -42.0913 557584.5266 6.1764 5.7764 PRESSURE: 2940800 71.2785 94.981 118.987 94.9802 -214.37 -67.5272 118.987 -67.5258 23.9133 GPRESSURE: 2940800 90.8594 66.9509 169.835 90.5175 -174.24 -80.01 43.6623 -19.7443 62.7566 PRESSAVG: 2940800 18.8815 8.23294 47.1661 8.2329 -90.9826 -26.8302 47.1661 -26.8301 68.254 GPRESSAVG: 2940800 17.587 9.61988 49.3554 9.48826 -89.1011 -27.2852 45.6524 -27.1488 68.4371 TIMING: 2940800 CPU: 8857.94, 0.00301798/step Wall: 8857.94, 0.00301798/step, 1.72628 hours remaining, 209.324219 MB of memory in use. ENERGY: 2940800 721.5686 2128.3074 1905.9186 113.4798 -205681.9375 17538.6532 0.0000 0.0000 33926.6274 -149347.3826 296.2897 -183274.0100 -149246.6884 298.7268 -39.7260 -6.8748 558086.5655 -1.2824 -1.0257 PRESSURE: 2941000 25.4556 -101.519 88.6283 -101.52 66.7743 85.8261 88.6292 85.8262 172.688 GPRESSURE: 2941000 -9.95475 -114.634 43.8217 -138.623 98.2696 -28.0297 143.469 84.8466 255.374 PRESSAVG: 2941000 -4.45024 -2.3589 32.2306 -2.35884 -17.2531 22.4962 32.2306 22.4963 30.1517 GPRESSAVG: 2941000 -4.16582 -2.30544 31.7738 -2.48564 -18.2432 22.1903 31.7942 23.8606 30.5499 TIMING: 2941000 CPU: 8858.54, 0.00301826/step Wall: 8858.54, 0.00301826/step, 1.72628 hours remaining, 209.324219 MB of memory in use. ENERGY: 2941000 727.7504 2061.0151 1935.1426 102.7384 -206444.6758 18109.6146 0.0000 0.0000 34288.4935 -149219.9212 299.4499 -183508.4147 -149117.2077 299.9008 88.3060 114.5629 557851.6705 2.8161 2.7136 PRESSURE: 2941200 246.468 103.886 46.0805 103.888 150.746 120.938 46.0803 120.939 21.5258 GPRESSURE: 2941200 323.436 101.749 120.599 65.7235 167.433 45.9806 14.8728 149.279 13.2312 PRESSAVG: 2941200 37.0814 31.7901 18.2597 31.79 -46.9375 -6.0999 18.2597 -6.09986 29.0212 GPRESSAVG: 2941200 36.6752 29.5401 20.7802 33.3944 -46.3923 -6.83512 18.3638 -7.08843 28.49 TIMING: 2941200 CPU: 8859.14, 0.0030195/step Wall: 8859.14, 0.0030195/step, 1.72682 hours remaining, 209.324219 MB of memory in use. ENERGY: 2941200 720.1986 2040.9904 1954.7943 98.0837 -206534.3267 18173.7084 0.0000 0.0000 34201.5109 -149345.0403 298.6903 -183546.5512 -149246.5447 299.4947 139.5798 168.0333 556416.3826 6.3884 6.2576 PRESSURE: 2941400 288.814 143.067 23.9361 143.067 -39.1991 75.2676 23.9357 75.2681 43.0247 GPRESSURE: 2941400 299.935 111.065 115.089 79.2449 41.1106 117.534 -60.0536 18.659 44.8238 PRESSAVG: 2941400 -24.5496 8.41986 -69.7677 8.41986 24.8766 0.893005 -69.7677 0.893094 2.12468 GPRESSAVG: 2941400 -23.2709 9.09628 -71.4332 5.98868 24.46 1.88379 -69.2364 1.70643 0.909263 TIMING: 2941400 CPU: 8859.74, 0.0029645/step Wall: 8859.74, 0.0029645/step, 1.6952 hours remaining, 209.324219 MB of memory in use. ENERGY: 2941400 694.7895 2097.3738 1925.2581 116.5095 -206520.1418 18025.7333 0.0000 0.0000 34400.4324 -149260.0452 300.4275 -183660.4776 -149164.4359 299.4521 97.5465 128.6233 557049.0370 0.8173 0.6995 PRESSURE: 2941600 -419.099 91.0748 6.06539 91.0742 -151.188 -31.2097 6.06503 -31.2102 -346.714 GPRESSURE: 2941600 -363.801 66.5763 -24.8485 82.4209 -141.904 -20.5147 -25.0894 -30.9489 -309.257 PRESSAVG: 2941600 20.0698 4.78006 45.7583 4.78017 -5.71719 1.81654 45.7583 1.81647 -33.0633 GPRESSAVG: 2941600 18.9369 5.49529 43.2798 4.59908 -5.77538 3.32784 45.861 -1.76312 -31.8192 TIMING: 2941600 CPU: 8860.34, 0.00300209/step Wall: 8860.34, 0.00300209/step, 1.71653 hours remaining, 209.324219 MB of memory in use. ENERGY: 2941600 769.6733 2097.4101 1929.8095 117.8090 -205466.3953 17188.7879 0.0000 0.0000 34182.8696 -149180.0360 298.5275 -183362.9056 -149085.5146 299.4340 -305.6670 -271.6540 556972.4263 -6.2369 -6.2192 PRESSURE: 2941800 -181.608 25.2849 160.648 25.2841 75.8063 95.5979 160.647 95.5987 -3.62608 GPRESSURE: 2941800 -110.56 49.7335 131.676 98.376 110.244 58.0468 216.165 83.9313 -1.63014 PRESSAVG: 2941800 -36.4841 42.9217 52.555 42.9217 69.1428 -11.3862 52.5549 -11.3861 -63.1374 GPRESSAVG: 2941800 -34.5563 41.5843 55.3319 44.9694 68.6029 -13.1169 51.2806 -9.36579 -64.1707 TIMING: 2941800 CPU: 8860.94, 0.00303415/step Wall: 8860.94, 0.00303415/step, 1.73469 hours remaining, 209.324219 MB of memory in use. ENERGY: 2941800 734.9676 2074.8951 1930.5241 122.5920 -206042.9603 17664.7203 0.0000 0.0000 34508.8683 -149006.3928 301.3745 -183515.2611 -148915.1168 299.2987 -36.4761 -0.6489 556236.2448 -10.1596 -10.0414 PRESSURE: 2942000 -65.1894 -269.621 40.9124 -269.621 222.831 88.6967 40.912 88.697 -44.5153 GPRESSURE: 2942000 -34.0097 -272.928 62.5585 -239.511 258.01 69.4954 -2.53854 -2.35636 -0.65935 PRESSAVG: 2942000 -47.936 -3.88562 -1.2968 -3.88563 -13.2115 21.8217 -1.29673 21.8218 34.941 GPRESSAVG: 2942000 -49.5503 -4.73414 -0.567301 -4.96393 -13.0448 21.3229 -1.31797 20.9102 35.9357 TIMING: 2942000 CPU: 8861.55, 0.00302304/step Wall: 8861.55, 0.00302304/step, 1.72817 hours remaining, 209.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2942000 720.4282 2136.5813 1922.9322 131.9643 -206243.9088 17746.2608 0.0000 0.0000 34494.5739 -149091.1679 301.2497 -183585.7419 -148999.6369 299.7326 37.7087 74.4469 556221.4686 -8.7355 -8.8865 PRESSURE: 2942200 165.546 56.2333 -158.864 56.233 -39.3955 82.6936 -158.864 82.6913 133.962 GPRESSURE: 2942200 204.11 52.1232 -174.966 53.9693 16.6036 49.589 -169.168 147.882 143.344 PRESSAVG: 2942200 -7.90075 -37.9446 25.0902 -37.9445 -20.6549 33.8767 25.0903 33.8767 53.3257 GPRESSAVG: 2942200 -8.7138 -37.3893 23.9497 -38.7232 -20.8803 36.7096 25.5359 33.5016 53.968 TIMING: 2942200 CPU: 8862.15, 0.00299302/step Wall: 8862.15, 0.00299302/step, 1.71085 hours remaining, 209.324219 MB of memory in use. ENERGY: 2942200 787.7012 2015.3723 1951.3176 119.4280 -206279.3858 17992.3328 0.0000 0.0000 34124.9682 -149288.2657 298.0218 -183413.2339 -149195.5593 300.0768 86.7042 121.3524 555631.7469 8.2567 8.1246 PRESSURE: 2942400 -8.72409 27.5142 25.5183 27.5137 -377.713 -189.351 25.5196 -189.35 -137.6 GPRESSURE: 2942400 4.98829 41.8626 128.625 -43.966 -377.255 -146.536 -0.199299 -196.297 -67.4967 PRESSAVG: 2942400 67.4941 8.37037 -29.3353 8.37034 -36.6507 14.7477 -29.3353 14.7477 4.77393 GPRESSAVG: 2942400 67.0939 10.2902 -29.3179 7.54757 -35.8138 11.8855 -29.8245 16.5488 3.94361 TIMING: 2942400 CPU: 8862.74, 0.00296112/step Wall: 8862.74, 0.00296112/step, 1.69244 hours remaining, 209.324219 MB of memory in use. ENERGY: 2942400 767.5494 2076.1909 1947.0598 131.3189 -205996.4784 17605.2415 0.0000 0.0000 34012.6785 -149456.4393 297.0412 -183469.1178 -149363.1318 299.4074 -174.6791 -146.5877 557734.0017 11.8724 11.7412 PRESSURE: 2942600 -85.9389 104.504 -187.085 104.503 -41.5036 10.2534 -187.084 10.2551 -75.8269 GPRESSURE: 2942600 -46.5451 106.885 -73.2662 105.433 1.41282 52.5257 -239.479 -50.5255 -74.7604 PRESSAVG: 2942600 -12.0319 7.62235 -33.2437 7.62233 -23.7751 -3.59583 -33.2437 -3.59578 36.9689 GPRESSAVG: 2942600 -11.6448 2.98776 -33.3493 10.661 -23.8012 -2.39888 -31.694 -4.09394 36.4495 TIMING: 2942600 CPU: 8863.34, 0.00298738/step Wall: 8863.34, 0.00298738/step, 1.70729 hours remaining, 209.324219 MB of memory in use. ENERGY: 2942600 763.6405 2120.5321 1941.3673 115.3303 -206616.4575 17819.8050 0.0000 0.0000 34507.5754 -149348.2069 301.3632 -183855.7823 -149260.4211 298.6499 -67.7565 -39.9642 556860.2955 0.3873 0.3345 PRESSURE: 2942800 49.6257 -57.4021 69.7874 -57.4017 -173.017 -136.765 69.787 -136.762 123.239 GPRESSURE: 2942800 28.6842 -66.5931 4.46843 -23.6387 -76.2268 -117.035 72.9923 -127.133 153.148 PRESSAVG: 2942800 14.728 -2.44955 -28.2903 -2.44957 -46.2024 -12.0821 -28.2904 -12.082 56.8985 GPRESSAVG: 2942800 14.7948 2.87985 -29.0704 -5.96476 -46.2286 -10.5329 -28.7947 -13.1291 57.5462 TIMING: 2942800 CPU: 8863.94, 0.00300487/step Wall: 8863.94, 0.00300487/step, 1.71712 hours remaining, 209.324219 MB of memory in use. ENERGY: 2942800 738.8827 2051.2919 1899.7299 134.5629 -206373.0900 17889.4217 0.0000 0.0000 34399.4439 -149259.7571 300.4189 -183659.2010 -149163.2849 299.6222 -0.0508 35.2019 557466.6829 8.4747 8.7041 PRESSURE: 2943000 -409.018 60.2205 -89.3041 60.2201 -76.0386 60.6205 -89.302 60.6221 -83.8826 GPRESSURE: 2943000 -361.965 123.767 18.564 63.9937 -84.9151 61.741 -116.875 101.598 -31.0003 PRESSAVG: 2943000 53.9448 1.98605 55.3309 1.98607 -26.3822 -26.646 55.3309 -26.6461 30.2308 GPRESSAVG: 2943000 54.4209 1.79616 57.1837 3.5749 -26.2022 -28.5834 52.9318 -25.8427 30.123 TIMING: 2943000 CPU: 8864.53, 0.0029762/step Wall: 8864.53, 0.0029762/step, 1.70057 hours remaining, 209.324219 MB of memory in use. ENERGY: 2943000 760.7146 2041.4594 1922.4427 113.3029 -205921.0625 17570.2512 0.0000 0.0000 34366.7304 -149146.1613 300.1332 -183512.8917 -149055.7176 300.1322 -189.6464 -159.2935 556323.3978 19.2645 19.4472 PRESSURE: 2943200 129.427 -46.8043 -70.6628 -46.8049 -25.4149 -94.0755 -70.6612 -94.076 -79.906 GPRESSURE: 2943200 186.775 -93.2104 -57.3557 10.5483 -0.258789 -178.341 -13.0879 -83.3047 -76.242 PRESSAVG: 2943200 -7.61565 -31.6061 14.1251 -31.6062 -14.5414 13.156 14.1252 13.1559 13.998 GPRESSAVG: 2943200 -6.62693 -33.6711 13.2593 -33.2061 -15.3118 12.0575 14.6767 14.6382 13.4632 TIMING: 2943200 CPU: 8865.13, 0.00297647/step Wall: 8865.13, 0.00297647/step, 1.70055 hours remaining, 209.324219 MB of memory in use. ENERGY: 2943200 747.5960 2147.7043 1947.4807 123.3637 -206247.2860 17849.8953 0.0000 0.0000 34189.9559 -149241.2902 298.5894 -183431.2461 -149141.1350 299.5158 8.0355 36.7580 556726.6899 -2.7197 -2.8252 PRESSURE: 2943400 96.3175 -56.1127 33.6769 -56.1116 25.3197 -74.8009 33.6771 -74.8023 128.803 GPRESSURE: 2943400 157.284 -47.5891 -81.4701 -66.1133 59.7469 -41.2824 162.154 -201.777 130.886 PRESSAVG: 2943400 28.6061 42.2554 -4.11577 42.2554 -18.0068 -55.2696 -4.11575 -55.2697 48.5579 GPRESSAVG: 2943400 29.0463 42.4234 -3.53487 42.7283 -18.2795 -53.954 -5.02401 -58.0087 48.4099 TIMING: 2943400 CPU: 8865.72, 0.00298314/step Wall: 8865.72, 0.00298314/step, 1.7042 hours remaining, 209.324219 MB of memory in use. ENERGY: 2943400 730.8179 2115.5019 1932.6774 102.4490 -206402.2420 18022.9045 0.0000 0.0000 34243.3164 -149254.5750 299.0554 -183497.8914 -149150.6716 299.6793 83.4801 115.9723 557327.2812 19.7191 19.7256 PRESSURE: 2943600 72.0643 -46.6639 -53.1334 -46.6643 197.668 124.337 -53.1325 124.337 240.383 GPRESSURE: 2943600 125.299 -62.3171 -27.7973 -47.5277 251.616 121.447 -119.338 88.5325 242.851 PRESSAVG: 2943600 -5.4787 -35.5139 -40.2272 -35.5139 -45.6352 16.4289 -40.2273 16.429 38.5251 GPRESSAVG: 2943600 -6.11889 -35.7018 -40.1738 -36.2202 -45.2478 14.3681 -38.6672 17.0445 38.8964 TIMING: 2943600 CPU: 8866.32, 0.00297238/step Wall: 8866.32, 0.00297238/step, 1.69789 hours remaining, 209.324219 MB of memory in use. ENERGY: 2943600 724.6481 2107.8877 1960.9331 123.2600 -206681.5651 18147.4124 0.0000 0.0000 34442.6823 -149174.7414 300.7965 -183617.4237 -149083.1491 299.9842 170.0383 206.5886 557300.1004 -4.1963 -4.1568 PRESSURE: 2943800 5.05301 -223.513 82.2326 -223.513 -157.657 -82.7472 82.2332 -82.7503 -18.5475 GPRESSURE: 2943800 27.2426 -274.546 95.0493 -135.527 -91.5799 -0.516221 86.3448 -126.566 -19.9695 PRESSAVG: 2943800 52.6673 -35.3581 -13.2225 -35.3582 -3.45165 -38.403 -13.2224 -38.4029 -11.208 GPRESSAVG: 2943800 52.5454 -34.5614 -14.9996 -31.905 -2.51248 -38.5035 -12.27 -37.2334 -12.7458 TIMING: 2943800 CPU: 8866.92, 0.00300957/step Wall: 8866.92, 0.00300957/step, 1.71897 hours remaining, 209.324219 MB of memory in use. ENERGY: 2943800 715.9243 2035.9990 1933.1495 112.8887 -205972.5248 17619.7274 0.0000 0.0000 34253.3550 -149301.4810 299.1431 -183554.8359 -149202.2785 299.6278 -57.0504 -28.1023 557981.0480 12.6692 12.4290 PRESSURE: 2944000 -77.0429 195.663 99.988 195.663 -164.566 -7.30758 99.987 -7.30857 -142.029 GPRESSURE: 2944000 26.6626 137.873 155.396 264.382 -148.811 -32.2196 56.5116 -20.1466 -161.54 PRESSAVG: 2944000 -19.04 -20.1376 29.364 -20.1375 57.3781 8.00213 29.364 8.00209 -36.3227 GPRESSAVG: 2944000 -18.867 -19.7603 31.7014 -22.8022 57.1306 7.63373 27.1892 8.72672 -35.9159 TIMING: 2944000 CPU: 8867.52, 0.0030188/step Wall: 8867.52, 0.0030188/step, 1.72407 hours remaining, 209.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2944000 794.0303 2045.7975 1947.2227 106.3887 -206289.3616 17735.6762 0.0000 0.0000 34383.8212 -149276.4250 300.2825 -183660.2462 -149177.1546 299.2764 -127.8793 -94.5629 557688.7852 0.6718 0.7826 PRESSURE: 2944200 11.1536 248.306 27.8635 248.306 -65.3544 -28.8166 27.8635 -28.8151 6.59608 GPRESSURE: 2944200 1.93931 219.268 67.5627 229.257 -48.0685 100.878 -9.64239 -5.67721 87.9991 PRESSAVG: 2944200 -34.5649 96.688 30.738 96.688 6.03889 58.0657 30.738 58.0658 -15.9334 GPRESSAVG: 2944200 -34.2782 97.9707 29.2087 95.7606 4.87668 59.7126 32.5167 57.4769 -15.0623 TIMING: 2944200 CPU: 8868.13, 0.0030167/step Wall: 8868.13, 0.0030167/step, 1.7227 hours remaining, 209.324219 MB of memory in use. ENERGY: 2944200 741.1405 2136.2410 1939.8419 115.2127 -206099.1931 17685.5389 0.0000 0.0000 34377.5810 -149103.6371 300.2280 -183481.2181 -149008.3739 299.4841 -15.8682 13.9566 557429.5713 -14.8198 -14.8213 LDB: ============= START OF LOAD BALANCING ============== 8871.65 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8871.65 LDB: =============== DONE WITH MIGRATION ================ 8871.65 LDB: ============= START OF LOAD BALANCING ============== 8871.95 LDB: Largest compute 4772 load 0.027121 is 23.0% of average load 0.118067 LDB: Average compute 0.001715 is 1.5% of average load 0.118067 LDB: TIME 8871.96 LOAD: AVG 0.118067 MAX 0.206927 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.055 MB LDB: TIME 8871.96 LOAD: AVG 0.118067 MAX 0.206927 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.125 MB LDB: TIME 8871.96 LOAD: AVG 0.118067 MAX 0.206927 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.125 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8871.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8871.96 PRESSURE: 2944400 146.914 -23.5798 47.7561 -23.5802 -144.827 -33.6286 47.7571 -33.6292 -184.581 GPRESSURE: 2944400 96.6684 -132.079 33.675 -1.51393 -25.817 -26.4485 54.1165 -60.1007 -167.148 PRESSAVG: 2944400 20.6977 34.239 -13.6354 34.239 59.4796 -1.81884 -13.6352 -1.81876 -50.7397 GPRESSAVG: 2944400 20.2735 32.8677 -14.4006 35.9075 59.1639 -2.16297 -14.1193 -2.744 -50.092 TIMING: 2944400 CPU: 8868.75, 0.00309206/step Wall: 8868.75, 0.00309206/step, 1.76557 hours remaining, 209.691406 MB of memory in use. ENERGY: 2944400 751.5498 2096.3556 1928.3083 111.4757 -206074.9740 17733.4851 0.0000 0.0000 34239.0495 -149214.7501 299.0181 -183453.7996 -149113.0219 299.8598 -60.8314 -32.0987 558026.9246 9.8126 9.7818 PRESSURE: 2944600 -133.105 37.2943 -15.54 37.2948 -215.114 -2.36036 -15.5395 -2.35972 -297.357 GPRESSURE: 2944600 -121.478 49.5181 25.4506 -11.6025 -206.349 33.8827 -112.536 6.35064 -226.069 PRESSAVG: 2944600 28.1391 -33.3808 -33.8688 -33.3807 -34.164 -13.6616 -33.8688 -13.6616 -39.84 GPRESSAVG: 2944600 29.1658 -33.7724 -34.188 -34.2274 -33.3635 -13.0763 -34.1447 -14.0232 -41.0726 TIMING: 2944600 CPU: 8869.34, 0.00297971/step Wall: 8869.34, 0.00297971/step, 1.70125 hours remaining, 210.152344 MB of memory in use. ENERGY: 2944600 727.8577 2117.0437 1933.5835 109.6693 -205519.0500 17310.2684 0.0000 0.0000 34292.6556 -149027.9718 299.4863 -183320.6274 -148935.4882 299.8299 -215.1922 -184.6318 558101.3100 -15.2883 -15.0901 PRESSURE: 2944800 122.384 -53.9334 27.9492 -53.9343 -133.989 -13.4956 27.9504 -13.4954 -211.984 GPRESSURE: 2944800 152.21 -8.94967 48.2186 -53.5317 -100.422 -100.01 44.8845 112.838 -188.142 PRESSAVG: 2944800 5.89555 -30.9033 -29.4116 -30.9034 54.7026 9.75765 -29.4117 9.75755 -73.3524 GPRESSAVG: 2944800 5.42702 -31.7059 -26.5817 -29.034 53.9452 9.47084 -30.2064 11.1652 -71.9746 TIMING: 2944800 CPU: 8869.94, 0.00299399/step Wall: 8869.94, 0.00299399/step, 1.70924 hours remaining, 210.324219 MB of memory in use. ENERGY: 2944800 769.8748 2158.6490 1911.7172 118.0454 -205755.1008 17659.5477 0.0000 0.0000 34188.0448 -148949.2218 298.5727 -183137.2666 -148849.9700 300.0321 -74.5297 -45.4513 557078.7125 -4.2514 -4.2008 PRESSURE: 2945000 -81.6842 22.7059 -57.732 22.7059 -55.3166 -82.232 -57.7305 -82.2312 -12.6198 GPRESSURE: 2945000 -59.5382 21.4362 55.6005 81.8608 -8.88126 -46.9529 -66.1567 10.8775 6.66056 PRESSAVG: 2945000 -4.37517 10.5453 56.2528 10.5452 38.0641 -15.911 56.2528 -15.911 -31.8776 GPRESSAVG: 2945000 -3.79117 11.6131 54.0612 10.2284 38.1591 -15.2326 55.5584 -16.2438 -32.8666 TIMING: 2945000 CPU: 8870.54, 0.00298581/step Wall: 8870.54, 0.00298581/step, 1.7044 hours remaining, 210.324219 MB of memory in use. ENERGY: 2945000 706.1387 2135.5046 1931.4146 117.6541 -206123.9830 17616.7437 0.0000 0.0000 34721.9620 -148894.5652 303.2355 -183616.5272 -148798.2366 300.6735 -49.8735 -20.5863 557190.8015 0.6038 0.5004 PRESSURE: 2945200 -24.8826 98.902 23.2187 98.9017 57.9427 21.6167 23.22 21.6155 168.535 GPRESSURE: 2945200 -19.3959 162.214 29.4201 4.96381 141.531 65.019 -58.5967 2.19212 161.989 PRESSAVG: 2945200 29.2565 -3.18157 37.6488 -3.18162 -40.1278 -4.83667 37.6489 -4.83673 15.524 GPRESSAVG: 2945200 29.5069 -2.61862 38.4188 -3.4533 -39.5566 -6.02695 37.7989 -4.20727 14.5987 TIMING: 2945200 CPU: 8871.14, 0.00298796/step Wall: 8871.14, 0.00298796/step, 1.70546 hours remaining, 210.324219 MB of memory in use. ENERGY: 2945200 746.2097 2113.5206 1938.4199 117.7759 -206235.2341 17880.6563 0.0000 0.0000 34559.7730 -148878.8787 301.8191 -183438.6517 -148781.4865 300.8429 67.1984 94.7082 556809.2317 1.5509 1.5164 PRESSURE: 2945400 197.591 -50.7811 51.3888 -50.7811 390.246 -115.937 51.3898 -115.937 -61.025 GPRESSURE: 2945400 175.686 -18.4108 137.453 -43.3083 432.653 -170.816 95.3001 -138.745 11.2247 PRESSAVG: 2945400 31.4715 -10.187 -22.6134 -10.1871 9.13748 13.4135 -22.6134 13.4136 -29.7038 GPRESSAVG: 2945400 30.0349 -11.4297 -23.4522 -10.5499 8.48013 15.9472 -20.2609 12.3278 -27.5845 TIMING: 2945400 CPU: 8871.73, 0.00299339/step Wall: 8871.73, 0.00299339/step, 1.70839 hours remaining, 210.324219 MB of memory in use. ENERGY: 2945400 707.4382 2044.2920 1930.9857 121.9332 -205979.9244 17901.9475 0.0000 0.0000 34254.0019 -149019.3258 299.1487 -183273.3277 -148916.5457 300.5901 175.6042 206.5211 557850.1955 3.6351 3.6435 PRESSURE: 2945600 160.148 -77.8519 -137.695 -77.8531 5.82857 114.869 -137.695 114.868 38.0402 GPRESSURE: 2945600 219.718 -60.6508 -150.237 -103.799 3.93622 167.215 -91.3001 132.989 65.2766 PRESSAVG: 2945600 10.1108 23.4274 1.27192 23.4273 -3.60395 73.5296 1.27193 73.5295 -8.66381 GPRESSAVG: 2945600 11.4016 23.8797 0.715063 21.8887 -3.16693 74.7635 0.192949 71.9802 -10.774 TIMING: 2945600 CPU: 8872.33, 0.00298217/step Wall: 8872.33, 0.00298217/step, 1.70183 hours remaining, 210.324219 MB of memory in use. ENERGY: 2945600 754.0963 2090.4866 1951.7814 104.3572 -206259.4180 17890.9319 0.0000 0.0000 34323.6435 -149144.1211 299.7569 -183467.7646 -149051.2549 299.7200 68.0056 96.3104 557829.6680 -0.7190 -0.8465 PRESSURE: 2945800 -121.456 -107.915 -255.896 -107.914 -238.095 145.034 -255.896 145.033 -312.228 GPRESSURE: 2945800 -31.4016 -90.2941 -294.721 -122.918 -246.38 179.463 -267.2 171.529 -296.873 PRESSAVG: 2945800 -55.8658 36.7737 1.26937 36.7737 -13.5879 14.181 1.26937 14.1809 15.0903 GPRESSAVG: 2945800 -56.2569 37.0114 1.05268 35.3305 -13.932 13.5794 2.23454 16.0994 15.1833 TIMING: 2945800 CPU: 8872.93, 0.00297114/step Wall: 8872.93, 0.00297114/step, 1.69537 hours remaining, 210.324219 MB of memory in use. ENERGY: 2945800 755.5733 2071.2133 1926.1118 115.4615 -206006.5910 17582.0805 0.0000 0.0000 34226.0080 -149330.1425 298.9042 -183556.1505 -149228.2273 299.3703 -223.9267 -191.5516 557144.1315 -18.1212 -18.3352 PRESSURE: 2946000 47.2012 -135.777 -160.452 -135.776 -128.809 25.1302 -160.454 25.1315 -50.9039 GPRESSURE: 2946000 42.1772 -93.724 -208.728 -83.5699 -84.4155 48.2922 -102.733 36.9473 -9.90289 PRESSAVG: 2946000 -32.1653 -22.9908 -20.0903 -22.9909 88.1438 -2.03247 -20.0904 -2.0324 11.4436 GPRESSAVG: 2946000 -31.6306 -22.983 -18.4166 -20.9691 86.4323 -1.97647 -22.2074 -1.89723 12.5676 TIMING: 2946000 CPU: 8873.52, 0.0029831/step Wall: 8873.52, 0.0029831/step, 1.70203 hours remaining, 210.371094 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: 2946000 778.3200 2098.0646 1904.4746 121.3065 -206066.7907 17671.5815 0.0000 0.0000 34090.6584 -149402.3851 297.7222 -183493.0435 -149306.8854 299.3656 -44.1704 -17.3804 557974.7427 22.4741 22.4565 PRESSURE: 2946200 -74.9865 -19.8703 -17.35 -19.8684 159.249 47.1484 -17.35 47.1497 -394.149 GPRESSURE: 2946200 -26.5158 -31.7259 -54.7195 -30.3218 205.603 18.6185 -18.7436 106.878 -392.16 PRESSAVG: 2946200 7.4709 -13.0593 5.08241 -13.0592 40.8101 7.08978 5.08247 7.08982 -92.4132 GPRESSAVG: 2946200 6.1602 -12.5461 5.14737 -12.962 41.6367 4.54769 5.84084 8.37552 -92.1858 TIMING: 2946200 CPU: 8874.12, 0.00299185/step Wall: 8874.12, 0.00299185/step, 1.70685 hours remaining, 210.371094 MB of memory in use. ENERGY: 2946200 763.2555 2109.8699 1925.5173 103.3829 -206116.0195 17611.9286 0.0000 0.0000 34149.9011 -149452.1642 298.2396 -183602.0653 -149359.5189 298.0327 -103.2953 -71.0244 556888.7581 -14.7107 -14.7963 PRESSURE: 2946400 -28.3119 46.3395 109.965 46.3398 48.3914 141.039 109.965 141.039 6.45896 GPRESSURE: 2946400 -5.24617 54.4485 98.0866 65.5722 118.44 168.813 107.883 81.4821 13.6564 PRESSAVG: 2946400 -19.8364 -0.0233137 -1.81742 -0.0233805 73.3311 3.1211 -1.8174 3.12108 -42.5086 GPRESSAVG: 2946400 -20.1267 -1.13044 -2.53888 -1.42599 73.3824 4.52367 -2.03105 3.17551 -43.0866 TIMING: 2946400 CPU: 8874.72, 0.00297688/step Wall: 8874.72, 0.00297688/step, 1.69814 hours remaining, 210.371094 MB of memory in use. ENERGY: 2946400 763.2813 2057.3754 1913.0128 108.6678 -206315.4533 17803.5629 0.0000 0.0000 34280.9252 -149388.6278 299.3838 -183669.5531 -149301.1011 298.4008 8.8462 42.2835 556274.8927 3.6620 3.3897 PRESSURE: 2946600 35.5248 -24.3856 -171.592 -24.3861 -15.5369 -38.3527 -171.593 -38.3515 122.834 GPRESSURE: 2946600 34.1785 42.6358 -44.6945 -89.6959 -25.9575 -104.135 -271.427 91.4992 236.937 PRESSAVG: 2946600 -35.712 -44.2473 -1.56313 -44.2473 24.3676 17.7441 -1.5631 17.7442 47.6082 GPRESSAVG: 2946600 -35.1114 -46.7654 -0.52496 -40.6579 25.0981 16.3359 -1.00666 16.8695 46.4584 TIMING: 2946600 CPU: 8875.3, 0.00294473/step Wall: 8875.3, 0.00294473/step, 1.67964 hours remaining, 210.371094 MB of memory in use. ENERGY: 2946600 710.9306 2095.2579 1941.2451 99.7042 -205930.5603 17741.0308 0.0000 0.0000 34010.2088 -149332.1829 297.0196 -183342.3916 -149228.3379 298.8984 47.6074 81.7193 557161.2077 12.0879 12.1484 PRESSURE: 2946800 195.76 -46.2432 59.352 -46.2432 -52.9857 50.0621 59.3521 50.0621 314.85 GPRESSURE: 2946800 190.609 -75.8168 60.1562 -0.245826 30.7794 112.761 7.55338 37.4555 338.591 PRESSAVG: 2946800 3.12631 -20.7037 -35.7135 -20.7037 -9.37473 11.5785 -35.7137 11.5786 -30.4519 GPRESSAVG: 2946800 3.48776 -17.3623 -35.7532 -24.8323 -9.8455 15.1152 -36.7422 11.0861 -30.5139 TIMING: 2946800 CPU: 8875.9, 0.00296458/step Wall: 8875.9, 0.00296458/step, 1.6908 hours remaining, 210.371094 MB of memory in use. ENERGY: 2946800 733.6664 2076.9243 1940.8776 112.8341 -206569.9496 18075.0157 0.0000 0.0000 34220.7962 -149409.8352 298.8587 -183630.6314 -149310.5231 298.7024 152.5415 186.6599 555663.7480 -12.2334 -12.2905 PRESSURE: 2947000 109.727 -74.5022 -18.7144 -74.503 -72.0225 -10.7511 -18.7145 -10.751 81.2901 GPRESSURE: 2947000 211.749 -67.2854 81.4527 -102.321 -19.6937 23.2671 -32.9996 -38.4484 25.6251 PRESSAVG: 2947000 30.948 -3.91334 -1.32436 -3.91336 18.7214 43.2089 -1.32442 43.2088 -53.0162 GPRESSAVG: 2947000 30.6291 -5.24741 -0.958554 -1.7731 18.4189 39.4052 -0.697539 42.7346 -52.7495 TIMING: 2947000 CPU: 8876.49, 0.0029784/step Wall: 8876.49, 0.0029784/step, 1.69852 hours remaining, 210.371094 MB of memory in use. ENERGY: 2947000 710.0881 2081.3922 1930.1185 115.2642 -205990.2980 17677.6377 0.0000 0.0000 34326.3081 -149149.4892 299.7802 -183475.7973 -149048.0594 298.9072 39.6648 72.5600 557230.6828 -1.1156 -1.2338 PRESSURE: 2947200 -12.0459 -61.326 -210.206 -61.3277 -263.172 -59.8843 -210.206 -59.8861 -29.2611 GPRESSURE: 2947200 55.9145 15.3689 -205.859 -73.1532 -254.897 -95.482 -147.626 -57.7994 -1.52647 PRESSAVG: 2947200 -21.4928 49.5201 -74.3237 49.5201 -29.168 -22.2368 -74.3237 -22.2367 7.36114 GPRESSAVG: 2947200 -22.3203 50.7012 -75.02 48.9764 -28.3484 -22.4631 -72.2289 -22.4177 7.02816 TIMING: 2947200 CPU: 8877.09, 0.00299298/step Wall: 8877.09, 0.00299298/step, 1.70666 hours remaining, 210.371094 MB of memory in use. ENERGY: 2947200 766.5356 2034.4869 1926.8137 106.1076 -205667.6019 17721.4070 0.0000 0.0000 34322.8676 -148789.3835 299.7501 -183112.2511 -148693.8750 300.1409 -101.4930 -66.8363 560260.2777 -14.4332 -14.5468 PRESSURE: 2947400 107.023 90.3377 106.587 90.3388 -2.59761 -9.60628 106.587 -9.60585 165.462 GPRESSURE: 2947400 201.208 95.8855 37.4892 48.7572 -45.8968 2.59494 137.401 -37.9697 215.846 PRESSAVG: 2947400 4.04601 30.5602 -10.2148 30.5604 -46.2384 -28.5486 -10.2149 -28.5484 71.4186 GPRESSAVG: 2947400 4.75802 30.7578 -12.0913 29.634 -48.0403 -28.7746 -9.23946 -26.78 72.5679 TIMING: 2947400 CPU: 8877.69, 0.00301129/step Wall: 8877.69, 0.00301129/step, 1.71694 hours remaining, 210.371094 MB of memory in use. ENERGY: 2947400 707.8262 2051.3631 1934.3648 111.1646 -205894.3778 17964.2585 0.0000 0.0000 34319.1528 -148806.2477 299.7177 -183125.4005 -148711.0390 300.7220 89.9622 123.7192 559707.5825 9.7421 9.7619 PRESSURE: 2947600 -391.448 -67.7823 262.539 -67.7815 -336.689 55.9006 262.54 55.9008 -19.1495 GPRESSURE: 2947600 -362.605 25.8487 282.712 -100.995 -303.128 33.264 194.355 13.4311 -0.0780123 PRESSAVG: 2947600 -71.0573 10.3642 11.1022 10.3641 47.0615 6.29509 11.1021 6.29506 0.667854 GPRESSAVG: 2947600 -70.3863 8.96018 12.3188 12.4311 48.7285 6.14271 9.2936 5.45778 -1.26283 TIMING: 2947600 CPU: 8878.3, 0.00303964/step Wall: 8878.3, 0.00303964/step, 1.73293 hours remaining, 210.371094 MB of memory in use. ENERGY: 2947600 731.9550 2106.0717 1943.6509 113.6500 -205810.3709 17497.9234 0.0000 0.0000 34532.0630 -148885.0570 301.5771 -183417.1200 -148783.7455 300.3187 -249.0955 -221.9369 559838.0824 -7.7760 -7.6402 PRESSURE: 2947800 -36.3473 -44.3228 -112.325 -44.3207 178.291 85.3782 -112.325 85.3792 121.225 GPRESSURE: 2947800 -33.9716 -61.5594 -125.99 -87.2698 189.727 122.746 -85.671 69.2873 203.565 PRESSAVG: 2947800 -5.92058 -0.354143 51.1892 -0.354129 23.1184 -20.2359 51.1892 -20.236 -27.201 GPRESSAVG: 2947800 -7.06286 0.576416 51.2151 -2.68436 22.0726 -18.8357 51.722 -20.986 -24.9142 TIMING: 2947800 CPU: 8878.9, 0.00301008/step Wall: 8878.9, 0.00301008/step, 1.71591 hours remaining, 210.371094 MB of memory in use. ENERGY: 2947800 753.6698 2058.1568 1930.5670 109.5261 -205877.8126 17864.9398 0.0000 0.0000 34373.7732 -148787.1801 300.1947 -183160.9532 -148695.6357 300.4204 87.7227 119.7737 558212.2488 -3.3344 -3.3015 PRESSURE: 2948000 -356.536 2.17876 54.5207 2.17853 -220.752 -41.6049 54.5219 -41.603 -191.076 GPRESSURE: 2948000 -352.082 13.1967 7.341 -16.8035 -123.141 -33.912 25.1801 -66.8217 -198.38 PRESSAVG: 2948000 -19.4727 -27.5038 4.55718 -27.5039 14.1889 -22.1197 4.5573 -22.1197 22.0075 GPRESSAVG: 2948000 -19.4761 -27.6728 4.63505 -25.4925 15.7985 -21.9374 7.39803 -24.131 20.7267 TIMING: 2948000 CPU: 8879.51, 0.00300884/step Wall: 8879.51, 0.00300884/step, 1.71504 hours remaining, 210.371094 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: 2948000 751.0801 2068.7804 1962.0400 113.0736 -205396.2930 17351.8820 0.0000 0.0000 34246.2397 -148903.1972 299.0809 -183149.4369 -148802.5689 300.0850 -256.1216 -224.5341 558828.4529 5.5746 5.6830 PRESSURE: 2948200 -27.6049 191.567 31.5913 191.568 93.2283 89.7628 31.5925 89.7625 75.6235 GPRESSURE: 2948200 27.3331 105.363 36.1638 195.871 104.718 72.2916 41.794 67.7706 108.414 PRESSAVG: 2948200 -58.6486 -31.6831 -21.78 -31.683 54.4779 -23.5102 -21.78 -23.5103 44.0086 GPRESSAVG: 2948200 -57.9004 -31.904 -20.0889 -31.9803 52.2714 -23.0327 -25.3861 -20.8735 45.0069 TIMING: 2948200 CPU: 8880.11, 0.00302342/step Wall: 8880.11, 0.00302342/step, 1.72318 hours remaining, 210.371094 MB of memory in use. ENERGY: 2948200 703.0367 2081.9631 1951.9067 107.6814 -205942.2853 17749.8976 0.0000 0.0000 34499.6946 -148848.1052 301.2944 -183347.7998 -148746.0758 300.0827 47.0823 80.1550 557557.7654 13.2793 13.1260 LDB: ============= START OF LOAD BALANCING ============== 8883.63 LDB: ============== END OF LOAD BALANCING =============== 8883.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8883.63 LDB: ============= START OF LOAD BALANCING ============== 8883.93 LDB: Largest compute 4772 load 0.027081 is 22.9% of average load 0.118051 LDB: Average compute 0.001713 is 1.5% of average load 0.118051 LDB: TIME 8883.93 LOAD: AVG 0.118051 MAX 0.205995 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.32 MB LDB: TIME 8883.93 LOAD: AVG 0.118051 MAX 0.205995 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.391 MB LDB: TIME 8883.93 LOAD: AVG 0.118051 MAX 0.205995 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.391 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8883.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8883.94 PRESSURE: 2948400 -229.137 -62.9811 92.4158 -62.9802 128.684 -80.4419 92.4142 -80.4411 -255.325 GPRESSURE: 2948400 -170.692 -63.7313 137.109 -15.8287 138.641 -116.89 72.4677 -87.1622 -236.858 PRESSAVG: 2948400 -68.1424 -23.3244 -2.24986 -23.3245 43.51 18.289 -2.24985 18.289 -10.096 GPRESSAVG: 2948400 -68.9263 -22.481 -3.25429 -24.787 43.3733 17.5579 -1.94111 17.3315 -9.36166 TIMING: 2948400 CPU: 8880.72, 0.00305827/step Wall: 8880.72, 0.00305827/step, 1.74287 hours remaining, 210.027344 MB of memory in use. ENERGY: 2948400 732.8348 2093.3173 1926.9480 111.8706 -205329.4054 17475.6628 0.0000 0.0000 34326.0328 -148662.7392 299.7778 -182988.7719 -148571.2935 300.0799 -118.5930 -89.6366 559713.6691 -11.5762 -11.6382 PRESSURE: 2948600 -55.6913 46.8598 -219.707 46.8596 -68.5773 -21.1101 -219.706 -21.1095 -229.951 GPRESSURE: 2948600 4.67796 116.239 -274.973 -15.1399 -34.8023 30.6964 -215.914 -4.16459 -226.675 PRESSAVG: 2948600 -26.8276 40.9523 -5.35832 40.9523 38.6929 -18.2104 -5.35833 -18.2104 18.8086 GPRESSAVG: 2948600 -25.0249 41.2731 -5.98396 40.6218 38.6563 -19.3309 -6.72268 -16.7352 16.475 TIMING: 2948600 CPU: 8881.32, 0.00297625/step Wall: 8881.32, 0.00297625/step, 1.69597 hours remaining, 210.027344 MB of memory in use. ENERGY: 2948600 762.1010 2091.7376 1972.7635 118.7598 -205578.6326 17490.0726 0.0000 0.0000 34467.0180 -148676.1800 301.0090 -183143.1980 -148581.8962 300.5521 -118.0731 -85.5998 556899.3132 10.2246 10.0355 PRESSURE: 2948800 -273.122 -16.7237 -123.065 -16.724 -51.8474 -90.6975 -123.065 -90.6982 72.3379 GPRESSURE: 2948800 -215.801 26.5408 -43.886 46.1696 -50.5499 -35.9538 -120.055 -103.396 117.819 PRESSAVG: 2948800 23.8578 -20.6309 -38.7581 -20.631 -2.8897 -40.5685 -38.7581 -40.5686 -31.1308 GPRESSAVG: 2948800 22.3279 -19.8998 -36.7029 -19.4067 -3.23786 -39.3123 -37.6264 -41.0544 -29.0083 TIMING: 2948800 CPU: 8881.92, 0.00301603/step Wall: 8881.92, 0.00301603/step, 1.71847 hours remaining, 210.027344 MB of memory in use. ENERGY: 2948800 770.2145 2073.8307 1944.8264 112.0440 -205960.2309 17690.0444 0.0000 0.0000 34534.7667 -148834.5042 301.6007 -183369.2709 -148732.2766 300.3977 -84.2105 -49.5109 557625.8681 -3.3876 -3.3061 PRESSURE: 2949000 185.826 -33.507 128.181 -33.506 143.56 31.6496 128.18 31.6483 -73.5564 GPRESSURE: 2949000 182.495 -109.523 109.299 -47.6037 194.516 -70.9968 62.2042 23.6448 -35.0048 PRESSAVG: 2949000 32.5059 54.7395 16.4698 54.7395 76.8389 -1.6481 16.4698 -1.64803 -26.8004 GPRESSAVG: 2949000 32.2155 52.4138 14.3355 56.8817 78.7655 -0.0379324 16.8615 -2.30639 -28.8839 TIMING: 2949000 CPU: 8882.52, 0.00300359/step Wall: 8882.52, 0.00300359/step, 1.71121 hours remaining, 210.027344 MB of memory in use. ENERGY: 2949000 738.2663 2051.0871 1964.7950 122.2809 -206290.5797 17951.0436 0.0000 0.0000 34403.5986 -149059.5082 300.4552 -183463.1067 -148963.1627 300.0635 85.2763 114.0021 557068.0293 27.5148 27.3657 PRESSURE: 2949200 154.691 -78.5252 111.905 -78.5259 144.239 171.817 111.904 171.817 90.9431 GPRESSURE: 2949200 195.591 -67.065 30.7709 -98.1856 124.406 146.87 168.585 206.772 153.666 PRESSAVG: 2949200 -24.4381 -26.6251 -0.182169 -26.625 54.2443 -62.9352 -0.182239 -62.9351 -26.2077 GPRESSAVG: 2949200 -24.3978 -25.8899 0.219976 -28.1678 52.8116 -64.053 1.31745 -62.2309 -25.0914 TIMING: 2949200 CPU: 8883.12, 0.002992/step Wall: 8883.12, 0.002992/step, 1.70444 hours remaining, 210.027344 MB of memory in use. ENERGY: 2949200 759.5164 2046.6681 1951.7824 109.3560 -206139.2169 17932.0597 0.0000 0.0000 34435.7761 -148904.0583 300.7362 -183339.8344 -148803.6586 300.1781 129.9578 157.8880 556659.0193 1.1995 1.1075 PRESSURE: 2949400 -20.4564 15.2728 139.807 15.2733 79.7585 -116.861 139.806 -116.862 56.8026 GPRESSURE: 2949400 38.253 48.6742 68.4728 -28.7931 107.183 -150.2 146.262 -48.4062 77.9295 PRESSAVG: 2949400 16.1507 33.7536 -41.8836 33.7536 16.5071 26.6244 -41.8836 26.6244 -2.062 GPRESSAVG: 2949400 16.2996 32.6974 -42.1033 33.3085 16.4217 26.1505 -42.7712 26.0424 -1.88896 TIMING: 2949400 CPU: 8883.72, 0.00300944/step Wall: 8883.72, 0.00300944/step, 1.71421 hours remaining, 210.027344 MB of memory in use. ENERGY: 2949400 734.2674 2067.2837 1948.9281 115.5457 -206253.0008 17869.4247 0.0000 0.0000 34591.3191 -148926.2322 302.0946 -183517.5513 -148832.7508 300.5409 38.7015 74.4552 556694.8132 10.1986 10.2775 PRESSURE: 2949600 -15.6664 147.591 -40.6109 147.592 -1.64792 -133.661 -40.6099 -133.661 -67.738 GPRESSURE: 2949600 -3.45059 185.827 -15.9251 70.9835 54.8023 -161.888 -10.6908 -104.187 -50.3753 PRESSAVG: 2949600 30.6198 -2.46168 -47.1887 -2.46173 -23.7848 -0.218533 -47.1886 -0.218613 -32.6596 GPRESSAVG: 2949600 30.1874 -1.48019 -46.235 -2.50431 -24.1637 -1.02075 -47.1364 0.358241 -32.3407 TIMING: 2949600 CPU: 8884.32, 0.0029791/step Wall: 8884.32, 0.0029791/step, 1.69676 hours remaining, 210.027344 MB of memory in use. ENERGY: 2949600 748.2905 2081.8001 1943.0935 111.0682 -205967.7797 17665.3232 0.0000 0.0000 34512.9085 -148905.2956 301.4098 -183418.2041 -148815.5611 300.1190 -28.3508 0.3255 557052.4353 -8.6082 -8.7723 PRESSURE: 2949800 42.6908 3.23041 44.8212 3.22915 -67.3265 -181.041 44.8188 -181.042 -191.29 GPRESSURE: 2949800 57.0241 -76.557 -12.1822 101.646 -28.7786 -119.401 56.284 -101.201 -144.888 PRESSAVG: 2949800 -8.3444 32.9677 -4.85984 32.9676 5.13887 -68.2898 -4.85988 -68.2898 25.9149 GPRESSAVG: 2949800 -7.74551 34.8267 -5.97422 32.379 4.29729 -68.3018 -6.24739 -67.532 25.5121 TIMING: 2949800 CPU: 8884.91, 0.00296718/step Wall: 8884.91, 0.00296718/step, 1.68981 hours remaining, 210.027344 MB of memory in use. ENERGY: 2949800 732.5420 2069.1692 1925.2283 116.8903 -205774.4496 17591.7137 0.0000 0.0000 34291.4988 -149047.4073 299.4762 -183338.9062 -148950.5294 299.6602 -71.9751 -38.8810 556993.0050 7.5698 7.3546 PRESSURE: 2950000 -225.077 -102.235 70.092 -102.237 -177.897 238.523 70.0914 238.523 -84.1285 GPRESSURE: 2950000 -198.442 26.8346 73.5135 -111.349 -174.482 164.595 112.562 211.795 -24.4633 PRESSAVG: 2950000 38.5659 -12.6166 70.7959 -12.6166 -1.5178 -62.8299 70.796 -62.8299 -28.1261 GPRESSAVG: 2950000 38.1679 -14.3115 70.7535 -11.8442 -0.430027 -63.1913 73.3729 -63.1234 -29.147 TIMING: 2950000 CPU: 8885.51, 0.00298076/step Wall: 8885.51, 0.00298076/step, 1.69737 hours remaining, 210.027344 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: 2950000 698.3108 2072.1929 1939.6037 109.9752 -205298.2345 17361.4118 0.0000 0.0000 34169.1207 -148947.6195 298.4074 -183116.7401 -148845.5583 300.0237 -162.3673 -132.4622 558925.0692 2.9740 2.8636 PRESSURE: 2950200 -182.629 -33.3022 -69.8453 -33.3009 -278.507 127.8 -69.8463 127.798 -490.989 GPRESSURE: 2950200 -168.44 -58.1738 -95.2681 -32.7029 -221.574 146.002 -27.2642 106.66 -452.001 PRESSAVG: 2950200 -63.9066 -23.9305 41.09 -23.9304 -18.514 18.9065 41.09 18.9064 24.286 GPRESSAVG: 2950200 -65.4098 -25.3725 40.2583 -22.6134 -18.5599 18.1665 40.4039 18.0576 25.1917 TIMING: 2950200 CPU: 8886.11, 0.00302176/step Wall: 8886.11, 0.00302176/step, 1.72056 hours remaining, 210.027344 MB of memory in use. ENERGY: 2950200 805.8887 2097.3016 1933.7989 112.8494 -205582.0436 17476.2201 0.0000 0.0000 34333.5686 -148822.4164 299.8436 -183155.9850 -148728.7408 300.0893 -317.3750 -280.6716 559204.7059 -19.3782 -19.5927 PRESSURE: 2950400 -109.535 -65.8961 -171.082 -65.8966 -20.5839 -22.3116 -171.083 -22.3133 -99.6147 GPRESSURE: 2950400 -84.7746 -119.406 -177.085 -115.405 39.5612 -28.2428 -218.651 -82.6345 -99.1647 PRESSAVG: 2950400 31.4791 7.75562 -45.2005 7.75572 -48.22 -27.8224 -45.2005 -27.8223 -41.2027 GPRESSAVG: 2950400 33.2168 8.55705 -42.4756 6.95479 -49.0984 -25.0511 -45.6609 -29.459 -42.0264 TIMING: 2950400 CPU: 8886.71, 0.00300904/step Wall: 8886.71, 0.00300904/step, 1.71315 hours remaining, 210.027344 MB of memory in use. ENERGY: 2950400 738.4915 2052.3970 1965.0929 111.2666 -205782.2557 17550.2611 0.0000 0.0000 34516.2755 -148848.4711 301.4392 -183364.7466 -148746.4978 299.8875 -76.5778 -48.1260 559025.8811 -19.3145 -19.3027 PRESSURE: 2950600 -151.5 -116.131 23.2538 -116.132 -176.833 95.6092 23.253 95.6098 -94.6998 GPRESSURE: 2950600 -102.916 -21.1305 116.058 -202.302 -126.625 34.239 -45.8649 125.148 -96.6231 PRESSAVG: 2950600 -0.473256 -34.4615 31.9842 -34.4614 14.8039 6.67523 31.9842 6.67521 -6.37688 GPRESSAVG: 2950600 -0.0306402 -32.4872 31.9859 -35.391 13.8844 5.39667 31.6676 9.04358 -5.77455 TIMING: 2950600 CPU: 8887.31, 0.00300017/step Wall: 8887.31, 0.00300017/step, 1.70793 hours remaining, 210.027344 MB of memory in use. ENERGY: 2950600 720.3977 2089.9999 1960.2841 123.1568 -206099.8128 17794.7226 0.0000 0.0000 34533.7406 -148877.5111 301.5917 -183411.2517 -148786.8553 300.6994 -141.0110 -108.7212 559559.2120 2.6513 2.6931 PRESSURE: 2950800 225.319 104.042 53.9201 104.041 3.00212 -111.952 53.9194 -111.952 -251.051 GPRESSURE: 2950800 266.298 44.8768 105.152 215.85 45.7861 -129.36 73.9865 -52.4344 -249.189 PRESSAVG: 2950800 21.9843 13.1201 24.7361 13.1201 0.409327 -0.307727 24.7362 -0.307674 -48.1812 GPRESSAVG: 2950800 20.5924 11.8316 24.7545 13.8273 1.03295 -1.73909 23.4593 -0.493041 -47.602 TIMING: 2950800 CPU: 8887.92, 0.00302474/step Wall: 8887.92, 0.00302474/step, 1.72175 hours remaining, 210.230469 MB of memory in use. ENERGY: 2950800 761.0806 2125.2977 1965.6874 122.0219 -206154.7756 17954.0164 0.0000 0.0000 34552.0558 -148674.6157 301.7517 -183226.6715 -148579.4817 300.6197 -7.5769 20.9651 559670.8509 -8.5958 -8.6589 PRESSURE: 2951000 -157.836 -81.3909 22.2651 -81.3914 -201.539 -91.5977 22.2634 -91.5976 34.4293 GPRESSURE: 2951000 -140.652 -112.998 88.7435 -107.612 -138.451 -86.6255 -34.8723 -47.5651 56.6421 PRESSAVG: 2951000 -19.2062 40.2371 -30.7544 40.2371 14.4942 -91.7239 -30.7544 -91.7239 -4.39751 GPRESSAVG: 2951000 -18.7163 39.8393 -30.5613 40.8859 14.5276 -89.4548 -29.5184 -93.2235 -4.82422 TIMING: 2951000 CPU: 8888.53, 0.00304481/step Wall: 8888.53, 0.00304481/step, 1.73301 hours remaining, 210.230469 MB of memory in use. ENERGY: 2951000 745.3405 2013.9791 1953.0804 121.2703 -205582.5317 17698.3593 0.0000 0.0000 34392.8741 -148657.6279 300.3615 -183050.5020 -148563.2439 301.6112 -108.3151 -74.1538 559851.4805 -3.0365 -3.0043 PRESSURE: 2951200 96.8561 -68.442 -65.6877 -68.4419 335.585 53.8714 -65.6889 53.8721 -31.3939 GPRESSURE: 2951200 90.1595 -68.2424 -108.968 -65.3695 402.796 20.7728 -49.5513 36.7899 14.0455 PRESSAVG: 2951200 -41.6544 -29.6963 -18.0864 -29.6965 26.4816 4.52519 -18.0865 4.52517 12.3071 GPRESSAVG: 2951200 -41.9763 -28.6841 -18.2192 -30.259 28.2514 5.37764 -17.744 5.01121 10.5713 TIMING: 2951200 CPU: 8889.14, 0.00304111/step Wall: 8889.14, 0.00304111/step, 1.73073 hours remaining, 210.261719 MB of memory in use. ENERGY: 2951200 708.5453 2129.1995 1953.1515 114.8466 -206040.1084 17852.3853 0.0000 0.0000 34350.5510 -148931.4292 299.9919 -183281.9803 -148837.6576 300.7059 133.6822 169.0005 557891.3546 -0.9552 -1.0512 PRESSURE: 2951400 -6.24058 67.4138 63.9007 67.4142 -206.416 99.6525 63.9009 99.6529 26.044 GPRESSURE: 2951400 52.8907 1.46333 111.836 22.2198 -209.231 151.613 54.3339 130.104 68.8976 PRESSAVG: 2951400 29.4404 -31.8524 -22.2018 -31.8524 -12.6088 31.0478 -22.2018 31.0477 16.4975 GPRESSAVG: 2951400 29.8918 -31.9963 -21.5686 -32.3568 -15.2383 30.2395 -24.2796 29.3177 18.4835 TIMING: 2951400 CPU: 8889.74, 0.00302802/step Wall: 8889.74, 0.00302802/step, 1.72311 hours remaining, 210.261719 MB of memory in use. ENERGY: 2951400 760.9042 2091.1073 1931.4355 103.9144 -205803.8447 17680.8810 0.0000 0.0000 34364.1256 -148871.4768 300.1105 -183235.6023 -148774.2142 300.5554 -62.2040 -29.1476 556889.4745 11.1097 11.0457 PRESSURE: 2951600 166.054 -1.09573 178.78 -1.09476 -161.06 -126.141 178.779 -126.142 -283.335 GPRESSURE: 2951600 202.266 -39.093 116.68 14.8942 -159.132 -155.27 150.899 -110.571 -221.144 PRESSAVG: 2951600 6.44606 2.78707 -5.19418 2.78716 -46.9288 -21.1231 -5.19417 -21.1231 -37.6934 GPRESSAVG: 2951600 6.6629 0.720254 -7.79895 4.29685 -46.3406 -22.69 -3.3816 -19.2844 -38.1706 TIMING: 2951600 CPU: 8890.35, 0.00302484/step Wall: 8890.35, 0.00302484/step, 1.72113 hours remaining, 210.261719 MB of memory in use. ENERGY: 2951600 751.8505 2137.6282 1961.4667 104.2925 -205951.2722 17825.0023 0.0000 0.0000 34239.2746 -148931.7573 299.0201 -183171.0319 -148825.6855 300.4478 -92.7803 -59.3368 559484.7403 -26.0587 -25.9494 PRESSURE: 2951800 101.681 148.478 129.707 148.477 -93.1643 3.53611 129.708 3.53475 233.057 GPRESSURE: 2951800 86.6753 190.003 58.6784 87.4006 -45.6865 -2.88453 112.051 124.848 286.46 PRESSAVG: 2951800 50.4553 24.6194 -6.96353 24.6194 -29.7827 49.9019 -6.96348 49.902 -0.826125 GPRESSAVG: 2951800 51.0855 25.1937 -6.37859 23.6127 -29.3724 50.4927 -7.10873 49.7082 -2.18629 TIMING: 2951800 CPU: 8890.95, 0.00302747/step Wall: 8890.95, 0.00302747/step, 1.72246 hours remaining, 210.261719 MB of memory in use. ENERGY: 2951800 716.6747 2080.7689 1965.7720 120.8591 -205729.7289 17798.3649 0.0000 0.0000 34147.2023 -148900.0870 298.2160 -183047.2893 -148802.0996 299.3327 80.5244 109.1495 558643.2113 6.6155 6.5089 PRESSURE: 2952000 -82.4054 -51.3795 12.5476 -51.3795 258.581 27.0602 12.5473 27.0616 341.919 GPRESSURE: 2952000 -30.4143 -34.4647 37.0256 -31.8427 281.392 -4.40754 -135.979 -15.7004 372.574 PRESSAVG: 2952000 42.5259 19.9443 13.4402 19.9444 -51.8805 -24.3973 13.4401 -24.3972 8.22643 GPRESSAVG: 2952000 40.8261 19.5786 11.7925 20.0915 -52.385 -23.9593 13.557 -24.6636 10.2516 TIMING: 2952000 CPU: 8891.55, 0.00300951/step Wall: 8891.55, 0.00300951/step, 1.71208 hours remaining, 210.261719 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: 2952000 733.6061 2092.0350 1952.6099 101.6158 -206177.5919 17997.8627 0.0000 0.0000 34454.6088 -148845.2537 300.9007 -183299.8625 -148753.2966 299.7007 172.6979 207.8508 557496.8543 -0.3761 -0.4357 PRESSURE: 2952200 -349.984 -78.6801 -36.4922 -78.6805 -34.2369 110.067 -36.4928 110.068 -151.75 GPRESSURE: 2952200 -294.395 -123.232 76.0848 -37.6015 -26.3169 127.437 -143.359 65.6363 -113.191 PRESSAVG: 2952200 -27.6207 -14.9521 22.4723 -14.9522 16.8107 -5.05653 22.4723 -5.05667 34.951 GPRESSAVG: 2952200 -25.7988 -12.4302 23.8666 -14.9373 15.6764 -4.98438 23.2786 -5.14327 34.8044 TIMING: 2952200 CPU: 8892.15, 0.00298064/step Wall: 8892.15, 0.00298064/step, 1.69549 hours remaining, 210.261719 MB of memory in use. ENERGY: 2952200 770.4497 2100.2279 1929.5305 110.7958 -205605.9981 17518.5066 0.0000 0.0000 34218.4046 -148958.0830 298.8378 -183176.4876 -148860.0599 300.2496 -178.6571 -144.6342 558731.7602 8.0470 8.2273 LDB: ============= START OF LOAD BALANCING ============== 8895.66 LDB: ============== END OF LOAD BALANCING =============== 8895.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8895.67 LDB: ============= START OF LOAD BALANCING ============== 8895.97 LDB: Largest compute 4794 load 0.028164 is 23.9% of average load 0.118051 LDB: Average compute 0.001719 is 1.5% of average load 0.118051 LDB: TIME 8895.97 LOAD: AVG 0.118051 MAX 0.204974 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.191 MB LDB: TIME 8895.97 LOAD: AVG 0.118051 MAX 0.204974 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.191 MB LDB: TIME 8895.97 LOAD: AVG 0.118051 MAX 0.204974 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.191 MB LDB: ============== END OF LOAD BALANCING =============== 8895.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8895.97 PRESSURE: 2952400 139.184 -33.5451 77.1261 -33.5451 218.383 53.6726 77.1254 53.6729 72.9089 GPRESSURE: 2952400 201.884 76.756 117.986 -58.0592 240.251 16.1351 17.9014 89.4448 84.2229 PRESSAVG: 2952400 -37.5874 17.5314 -0.038276 17.5314 11.1743 8.59343 -0.038274 8.59345 31.7215 GPRESSAVG: 2952400 -37.9795 17.0505 -1.14182 16.7395 12.3397 7.79861 -1.92218 11.1833 31.2673 TIMING: 2952400 CPU: 8892.76, 0.00303741/step Wall: 8892.76, 0.00303741/step, 1.72761 hours remaining, 210.230469 MB of memory in use. ENERGY: 2952400 720.2328 2125.3350 1933.8202 113.2680 -206194.0571 18003.3443 0.0000 0.0000 34411.6764 -148886.3803 300.5257 -183298.0567 -148783.1288 300.6020 143.4918 175.4524 557019.2691 1.7695 1.8758 PRESSURE: 2952600 50.2119 24.8001 21.4064 24.8019 26.546 62.9914 21.4062 62.9902 299.906 GPRESSURE: 2952600 108.764 118.102 29.5252 16.4641 29.5961 46.4972 24.6221 -29.826 329.393 PRESSAVG: 2952600 -15.0959 -25.3236 -10.9134 -25.3236 -56.1017 -16.327 -10.9134 -16.327 -17.2028 GPRESSAVG: 2952600 -15.9374 -24.6545 -10.9831 -25.8987 -54.5614 -17.6654 -9.66648 -18.4919 -18.0764 TIMING: 2952600 CPU: 8893.35, 0.00299067/step Wall: 8893.35, 0.00299067/step, 1.70086 hours remaining, 210.300781 MB of memory in use. ENERGY: 2952600 727.3888 2123.5927 1957.1599 107.2175 -205591.2838 17761.7138 0.0000 0.0000 33958.5528 -148955.6583 296.5685 -182914.2112 -148857.1331 299.9644 125.5546 155.9177 557487.1490 -29.4668 -29.5251 PRESSURE: 2952800 44.8019 -131.948 -179.355 -131.948 -73.4627 10.9646 -179.355 10.964 153.53 GPRESSURE: 2952800 115.592 -27.3146 -143.964 -167.685 -67.9963 59.9599 -131.155 -13.6008 176.139 PRESSAVG: 2952800 19.5462 10.7406 8.22416 10.7405 41.2499 19.5337 8.22407 19.5335 10.0947 GPRESSAVG: 2952800 20.6215 10.1661 10.9026 11.0596 39.1984 18.9309 7.39237 19.9421 11.2415 TIMING: 2952800 CPU: 8893.95, 0.00297576/step Wall: 8893.95, 0.00297576/step, 1.69221 hours remaining, 210.300781 MB of memory in use. ENERGY: 2952800 753.5531 2111.9654 1942.8692 119.0648 -205831.3245 17685.2313 0.0000 0.0000 34216.3293 -149002.3114 298.8197 -183218.6407 -148908.4746 299.7695 41.6230 74.5783 557164.6586 23.6302 23.6871 PRESSURE: 2953000 8.94259 31.0602 -150.864 31.0605 290.893 95.4536 -150.864 95.4531 155.415 GPRESSURE: 2953000 1.19195 53.9407 -234.214 111.74 318.096 44.4458 -173.286 61.3495 230.692 PRESSAVG: 2953000 -7.46704 -3.17318 -39.0697 -3.17322 -55.0216 -18.1228 -39.0697 -18.1227 19.3823 GPRESSAVG: 2953000 -7.45734 -3.4069 -40.3959 -1.63646 -54.082 -16.5497 -38.9228 -15.5254 19.0676 TIMING: 2953000 CPU: 8894.55, 0.00298976/step Wall: 8894.55, 0.00298976/step, 1.70001 hours remaining, 210.679688 MB of memory in use. ENERGY: 2953000 742.5753 2094.4437 1964.9557 106.8035 -206592.1717 18022.1856 0.0000 0.0000 34450.4536 -149210.7544 300.8644 -183661.2080 -149115.0224 300.0187 151.7503 183.3265 556486.9213 -14.3688 -14.1572 PRESSURE: 2953200 121.932 -74.0337 232.68 -74.033 47.2921 8.59285 232.678 8.59399 55.991 GPRESSURE: 2953200 165.249 -144.148 240.633 -25.5927 42.1716 -74.2343 269.863 -30.4106 115.769 PRESSAVG: 2953200 -9.95105 -19.1036 -43.9513 -19.1036 -33.4841 -11.6546 -43.9514 -11.6547 64.4357 GPRESSAVG: 2953200 -10.3407 -20.3605 -42.8193 -18.7125 -33.6364 -12.1806 -43.4687 -14.0558 64.4553 TIMING: 2953200 CPU: 8895.15, 0.00302044/step Wall: 8895.15, 0.00302044/step, 1.71729 hours remaining, 210.679688 MB of memory in use. ENERGY: 2953200 727.6014 2098.9105 1952.4137 107.3997 -206466.5456 17957.1781 0.0000 0.0000 34343.6350 -149279.4072 299.9315 -183623.0421 -149181.7023 299.4455 75.0717 107.7301 556588.3878 7.0002 6.8260 PRESSURE: 2953400 129.571 -10.7731 26.9811 -10.7727 109.372 -4.10938 26.9817 -4.11088 -24.4866 GPRESSURE: 2953400 179.717 83.9628 36.8768 -74.9922 140.461 -27.7352 -75.7034 55.631 -6.81332 PRESSAVG: 2953400 -29.587 -27.6291 5.93589 -27.6291 80.28 -18.1837 5.93585 -18.1836 -31.4255 GPRESSAVG: 2953400 -29.5617 -27.1481 5.09203 -28.681 80.3044 -19.3165 5.54237 -16.7626 -31.6184 TIMING: 2953400 CPU: 8895.75, 0.00299462/step Wall: 8895.75, 0.00299462/step, 1.70244 hours remaining, 210.679688 MB of memory in use. ENERGY: 2953400 745.9419 2151.7832 1926.0327 119.8165 -206276.0356 17824.9382 0.0000 0.0000 34308.2444 -149199.2786 299.6224 -183507.5230 -149111.3242 299.4265 71.4851 104.4546 556687.5729 6.4225 6.3748 PRESSURE: 2953600 -230.74 70.6412 -140.258 70.6419 -315.054 -33.7138 -140.259 -33.7158 -238.143 GPRESSURE: 2953600 -162.59 108.425 -139.397 90.1725 -297.108 -40.0875 -123.78 -18.3993 -238.266 PRESSAVG: 2953600 -14.1843 -11.8273 -15.2028 -11.8273 -51.1689 -23.6217 -15.2028 -23.6216 58.5337 GPRESSAVG: 2953600 -12.9054 -11.3342 -14.9695 -12.4681 -52.4415 -19.2212 -15.8457 -26.1947 57.8638 TIMING: 2953600 CPU: 8896.35, 0.00301034/step Wall: 8896.35, 0.00301034/step, 1.71121 hours remaining, 210.679688 MB of memory in use. ENERGY: 2953600 725.7240 2124.9943 1922.6428 100.3485 -205681.1936 17446.1601 0.0000 0.0000 34128.4919 -149232.8320 298.0526 -183361.3239 -149129.8592 299.6849 -261.3121 -232.6545 559220.0991 -2.2732 -2.4944 PRESSURE: 2953800 -37.1368 11.3124 -19.5647 11.3113 17.766 168.511 -19.5639 168.512 -322.473 GPRESSURE: 2953800 -41.8751 48.8452 -43.1868 -47.8528 22.8618 113.14 26.9705 247.886 -235.061 PRESSAVG: 2953800 -30.9073 -33.6515 4.92196 -33.6516 -35.7646 21.1269 4.92199 21.127 63.2824 GPRESSAVG: 2953800 -33.2779 -31.6934 5.27431 -33.0857 -34.6379 17.3929 5.26354 22.4886 64.6839 TIMING: 2953800 CPU: 8896.95, 0.00298532/step Wall: 8896.95, 0.00298532/step, 1.69683 hours remaining, 210.679688 MB of memory in use. ENERGY: 2953800 762.3012 2161.1483 1946.2623 99.7452 -206425.2588 17768.1992 0.0000 0.0000 34425.7539 -149261.8487 300.6487 -183687.6026 -149158.2994 299.4853 -113.9478 -84.6915 558678.9195 -1.1298 -1.0773 PRESSURE: 2954000 -125.226 -79.0121 21.7077 -79.0126 -161.723 117.314 21.7087 117.313 -130.107 GPRESSURE: 2954000 -114.557 -76.8858 37.4394 -79.8401 -98.562 92.4121 31.9082 158.945 -115.096 PRESSAVG: 2954000 -58.4369 -14.9237 28.9133 -14.9238 -33.3012 -6.36944 28.9134 -6.36947 80.6334 GPRESSAVG: 2954000 -57.2992 -15.0019 27.1995 -14.7953 -33.6838 -7.7073 29.4463 -6.38166 79.6365 TIMING: 2954000 CPU: 8897.55, 0.00297427/step Wall: 8897.55, 0.00297427/step, 1.69038 hours remaining, 210.679688 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: 2954000 740.1163 2092.3707 1946.9183 112.1215 -206202.1231 17581.4186 0.0000 0.0000 34460.8558 -149268.3220 300.9552 -183729.1778 -149164.8121 299.8803 -139.0190 -109.4052 557776.8811 -3.7016 -3.7822 PRESSURE: 2954200 -163.347 -106.742 110.708 -106.744 -64.9274 176.712 110.709 176.712 -163.974 GPRESSURE: 2954200 -152.111 -35.4003 11.4196 -136.532 -37.1771 109.161 144.155 281.04 -114.417 PRESSAVG: 2954200 18.2417 -10.2471 43.9059 -10.2471 -63.1963 23.8195 43.906 23.8197 -13.7355 GPRESSAVG: 2954200 17.6137 -10.7296 46.2081 -10.2909 -62.9655 24.7432 42.1426 24.9024 -13.3321 TIMING: 2954200 CPU: 8898.14, 0.00298243/step Wall: 8898.14, 0.00298243/step, 1.69485 hours remaining, 210.679688 MB of memory in use. ENERGY: 2954200 762.8660 2061.8669 1944.1321 122.3257 -205735.0370 17476.3635 0.0000 0.0000 34107.6850 -149259.7978 297.8709 -183367.4827 -149155.2166 299.3045 -130.7493 -101.2352 557934.7943 -19.5634 -19.5613 PRESSURE: 2954400 -118.432 13.8459 103.81 13.8462 -137.241 48.319 103.809 48.318 -99.2975 GPRESSURE: 2954400 -43.8995 -30.844 63.3336 45.6013 -142.159 19.4088 73.4804 45.4685 -94.4848 PRESSAVG: 2954400 3.95214 17.2262 50.8101 17.2262 42.8178 55.6028 50.8101 55.6029 -9.0441 GPRESSAVG: 2954400 5.15689 14.7482 48.8835 18.2244 41.9086 55.6884 52.3127 55.8858 -9.56931 TIMING: 2954400 CPU: 8898.74, 0.00300408/step Wall: 8898.74, 0.00300408/step, 1.70698 hours remaining, 210.679688 MB of memory in use. ENERGY: 2954400 755.5400 2097.9497 1941.0078 101.5414 -206111.7523 17746.9730 0.0000 0.0000 34252.7880 -149215.9525 299.1381 -183468.7404 -149122.7102 299.2156 -118.3234 -93.5143 558829.0150 12.5753 12.4987 PRESSURE: 2954600 -86.0598 -133.391 17.0009 -133.39 203.356 -67.9067 17.002 -67.908 -142.104 GPRESSURE: 2954600 -61.306 -100.005 50.0851 -156.417 146.936 -23.531 -2.5672 -88.1475 -20.5963 PRESSAVG: 2954600 16.6368 -20.5721 11.6359 -20.5721 -20.6511 -24.5696 11.636 -24.5696 -8.99696 GPRESSAVG: 2954600 15.3054 -18.3206 14.0528 -18.7155 -20.5844 -22.0112 9.47563 -25.8527 -8.31858 TIMING: 2954600 CPU: 8899.35, 0.00301546/step Wall: 8899.35, 0.00301546/step, 1.71328 hours remaining, 210.679688 MB of memory in use. ENERGY: 2954600 731.9012 2159.7652 1944.6996 104.2394 -206083.4997 17700.8995 0.0000 0.0000 34400.8165 -149041.1784 300.4309 -183441.9949 -148949.0995 299.7363 -8.2694 21.6778 557515.4501 -4.3371 -4.5325 PRESSURE: 2954800 217.724 -16.1834 77.6525 -16.1829 167.961 72.9547 77.6537 72.9535 -43.785 GPRESSURE: 2954800 348.013 -49.12 53.6538 42.8147 158.098 47.4504 69.0266 111.407 -68.1489 PRESSAVG: 2954800 -22.4757 58.5585 31.5256 58.5585 -25.6802 44.6307 31.5257 44.6307 32.731 GPRESSAVG: 2954800 -20.7733 59.0467 28.9774 55.4505 -25.9164 41.0179 34.4039 45.2239 31.877 TIMING: 2954800 CPU: 8899.95, 0.00300466/step Wall: 8899.95, 0.00300465/step, 1.70698 hours remaining, 210.679688 MB of memory in use. ENERGY: 2954800 742.9594 2108.0828 1919.7717 114.4736 -206300.8878 17995.3084 0.0000 0.0000 34337.4481 -149082.8439 299.8775 -183420.2920 -148993.0561 300.1712 113.9666 145.9873 555643.9936 -5.1416 -4.9376 PRESSURE: 2955000 16.8445 -89.4132 -53.5475 -89.4134 -68.0684 82.4512 -53.5479 82.4501 207.853 GPRESSURE: 2955000 99.6749 27.2032 -73.4329 -95.8091 -67.0322 80.083 -69.3783 106.564 219.684 PRESSAVG: 2955000 -8.56084 37.0276 -19.12 37.0276 33.7213 10.5574 -19.1201 10.5574 -82.0122 GPRESSAVG: 2955000 -10.3588 35.7696 -19.883 39.641 35.2181 13.7027 -19.9742 10.5146 -81.0131 TIMING: 2955000 CPU: 8900.54, 0.00298487/step Wall: 8900.54, 0.00298487/step, 1.69557 hours remaining, 210.679688 MB of memory in use. ENERGY: 2955000 730.3131 2065.9912 1968.8844 122.9493 -206373.3319 17880.3003 0.0000 0.0000 34498.4431 -149106.4505 301.2835 -183604.8936 -149001.5235 299.5700 52.2098 84.1090 557508.4754 -18.9506 -18.7179 PRESSURE: 2955200 -136.459 -29.2194 50.9939 -29.2216 -31.7352 9.42908 50.9947 9.42955 149.384 GPRESSURE: 2955200 -122.903 -45.4883 -28.1078 -60.3351 54.0508 50.8312 102.504 44.4381 138.88 PRESSAVG: 2955200 -61.34 31.4216 -9.32022 31.4217 70.929 -43.8834 -9.32014 -43.8833 50.9414 GPRESSAVG: 2955200 -59.711 32.1665 -7.42503 31.2928 70.0716 -43.6413 -9.32977 -44.4796 50.3892 TIMING: 2955200 CPU: 8901.14, 0.00297973/step Wall: 8901.14, 0.00297973/step, 1.69248 hours remaining, 210.679688 MB of memory in use. ENERGY: 2955200 751.4805 2046.8910 1952.0246 114.8976 -206266.7901 17982.1802 0.0000 0.0000 34322.6956 -149096.6206 299.7486 -183419.3162 -149003.1841 299.7135 -6.2698 23.3428 558590.9988 20.1768 20.2500 PRESSURE: 2955400 -94.8643 37.2826 176.862 37.2815 -253.475 -46.0535 176.862 -46.053 156.847 GPRESSURE: 2955400 -70.0673 63.0186 227.958 -26.049 -169.063 8.15676 110.803 -89.4064 150.64 PRESSAVG: 2955400 34.8907 -11.2342 42.3276 -11.2341 -78.1974 22.4807 42.3277 22.4807 18.182 GPRESSAVG: 2955400 33.1906 -12.7278 43.8632 -12.2568 -77.6054 21.7348 40.6927 23.1126 19.8715 TIMING: 2955400 CPU: 8901.73, 0.00297704/step Wall: 8901.73, 0.00297704/step, 1.69079 hours remaining, 210.679688 MB of memory in use. ENERGY: 2955400 778.5416 2033.5942 1933.1805 108.3406 -206695.7181 17948.1519 0.0000 0.0000 34510.4854 -149383.4237 301.3887 -183893.9092 -149279.0178 299.2282 -63.8310 -29.4966 556661.0168 -8.3749 -8.1811 PRESSURE: 2955600 159.225 -110.815 -70.8483 -110.815 125.102 -15.1623 -70.8484 -15.1596 86.0758 GPRESSURE: 2955600 182.514 -105.988 -100.778 -97.0847 198.149 -59.8419 -57.242 -2.44266 82.7886 PRESSAVG: 2955600 -18.2248 -4.33667 33.6705 -4.3366 43.1499 20.5788 33.6706 20.5788 20.4288 GPRESSAVG: 2955600 -16.7461 -2.04793 32.5047 -5.23734 42.4932 21.1275 34.3641 19.893 19.331 TIMING: 2955600 CPU: 8902.33, 0.00298623/step Wall: 8902.33, 0.00298623/step, 1.69585 hours remaining, 210.679688 MB of memory in use. ENERGY: 2955600 738.2483 2041.0467 1943.6362 116.0108 -207056.7637 18303.2391 0.0000 0.0000 34271.3935 -149643.1890 299.3006 -183914.5825 -149547.7607 298.9742 123.4676 154.4838 557481.1151 15.1180 15.0260 PRESSURE: 2955800 87.3291 73.3252 124.521 73.3257 12.8188 -64.6237 124.52 -64.6235 -95.0445 GPRESSURE: 2955800 85.3024 29.8201 60.9869 50.0852 59.1066 -74.3217 115.993 -60.2268 -38.0869 PRESSAVG: 2955800 17.9119 -41.9007 32.8851 -41.9006 13.2866 -25.522 32.8849 -25.522 -84.7964 GPRESSAVG: 2955800 16.7985 -43.0043 32.1209 -41.7144 14.8314 -26.9738 33.8328 -25.1091 -85.6475 TIMING: 2955800 CPU: 8902.94, 0.00302349/step Wall: 8902.94, 0.00302349/step, 1.71684 hours remaining, 210.679688 MB of memory in use. ENERGY: 2955800 769.0590 2070.0882 1947.8988 105.0184 -206372.8311 17776.5307 0.0000 0.0000 34014.5755 -149689.6604 297.0577 -183704.2359 -149592.8352 298.0557 1.7011 35.4407 556073.5012 -17.8660 -18.0059 PRESSURE: 2956000 -270.937 -96.8066 -24.0345 -96.8066 -24.0168 36.2302 -24.0347 36.2306 77.7405 GPRESSURE: 2956000 -229.848 -169.63 30.6586 -59.1444 -32.2593 50.7068 -36.8918 68.0772 134.877 PRESSAVG: 2956000 -8.58026 -21.6338 12.1135 -21.6339 58.9453 21.4257 12.1135 21.4257 -9.75528 GPRESSAVG: 2956000 -8.23575 -23.3908 11.8743 -19.8907 57.7289 21.6958 11.0903 21.0564 -9.01892 TIMING: 2956000 CPU: 8903.54, 0.00301314/step Wall: 8903.54, 0.00301314/step, 1.71079 hours remaining, 210.679688 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: 2956000 785.0381 2117.8647 1931.6469 114.0502 -206616.9116 17836.7654 0.0000 0.0000 34222.6385 -149608.9078 298.8748 -183831.5463 -149511.8357 297.8854 -72.4044 -42.4100 556488.7432 13.5366 13.4914 PRESSURE: 2956200 444.196 -77.1718 1.85046 -77.1732 152.833 93.5817 1.85194 93.5822 179.625 GPRESSURE: 2956200 470.789 -86.407 36.0465 -54.3784 218.631 115.723 47.5534 64.2626 180.9 PRESSAVG: 2956200 -42.987 7.27677 29.2594 7.27676 41.2313 51.9537 29.2593 51.9536 -27.9007 GPRESSAVG: 2956200 -43.2987 8.37314 29.1496 6.58218 42.2174 52.0362 30.3395 53.4049 -28.5459 TIMING: 2956200 CPU: 8904.14, 0.00300239/step Wall: 8904.14, 0.00300239/step, 1.70452 hours remaining, 210.679688 MB of memory in use. ENERGY: 2956200 727.2407 2113.0952 1964.4620 133.4124 -206941.0461 18140.3589 0.0000 0.0000 34342.2807 -149520.1962 299.9197 -183862.4769 -149413.8384 298.7458 258.8849 290.1068 554736.4225 -9.8855 -9.8758 LDB: ============= START OF LOAD BALANCING ============== 8907.66 LDB: ============== END OF LOAD BALANCING =============== 8907.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8907.66 LDB: ============= START OF LOAD BALANCING ============== 8907.96 LDB: Largest compute 4794 load 0.025656 is 21.7% of average load 0.118015 LDB: Average compute 0.001717 is 1.5% of average load 0.118015 LDB: TIME 8907.96 LOAD: AVG 0.118015 MAX 0.206711 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.43 MB LDB: TIME 8907.96 LOAD: AVG 0.118015 MAX 0.206711 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: TIME 8907.96 LOAD: AVG 0.118015 MAX 0.206711 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: ============== END OF LOAD BALANCING =============== 8907.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8907.97 PRESSURE: 2956400 -41.8925 -56.0708 44.5269 -56.0713 261.589 -58.1436 44.5264 -58.1452 228.954 GPRESSURE: 2956400 -27.8655 -59.5305 11.4056 -44.0681 327.525 -141.582 60.0619 -57.569 242.249 PRESSAVG: 2956400 19.8682 -25.3279 28.346 -25.3279 28.8415 -6.70128 28.346 -6.70125 6.31176 GPRESSAVG: 2956400 19.5509 -23.7189 28.7361 -25.4132 28.5282 -4.98657 26.7805 -8.83131 7.62864 TIMING: 2956400 CPU: 8904.75, 0.00304785/step Wall: 8904.75, 0.00304785/step, 1.73016 hours remaining, 209.515625 MB of memory in use. ENERGY: 2956400 755.4156 2101.6469 1967.2549 116.1781 -206819.4156 17998.4872 0.0000 0.0000 34347.4021 -149533.0307 299.9644 -183880.4328 -149439.2003 298.5735 149.5502 180.6362 555395.2140 18.3405 18.5692 PRESSURE: 2956600 -188.591 -27.3609 34.8408 -27.3598 -146.84 41.0808 34.8401 41.0815 -57.2987 GPRESSURE: 2956600 -149.71 -22.5457 44.0857 -1.74677 -112.335 -70.5461 49.8606 94.05 -39.0515 PRESSAVG: 2956600 38.2039 -37.1551 19.3298 -37.155 4.76585 -28.551 19.3299 -28.551 -15.8537 GPRESSAVG: 2956600 37.6358 -38.8342 20.0244 -37.4813 5.80553 -30.9664 20.7 -28.1677 -15.8336 TIMING: 2956600 CPU: 8905.35, 0.00298578/step Wall: 8905.35, 0.00298578/step, 1.69476 hours remaining, 209.773438 MB of memory in use. ENERGY: 2956600 745.8744 2067.1665 1945.1844 103.9484 -206547.1183 17656.3709 0.0000 0.0000 34409.4680 -149619.1058 300.5064 -184028.5738 -149512.0860 298.9121 -130.9098 -100.3657 557393.2486 9.0387 9.2026 PRESSURE: 2956800 -63.1891 46.8888 72.2776 46.8886 99.8992 -147.885 72.2772 -147.887 172.378 GPRESSURE: 2956800 21.4705 90.312 -53.6181 -120.068 147.1 -91.4617 140.347 -210.502 135.696 PRESSAVG: 2956800 -14.9547 17.4743 -10.3022 17.4743 59.6774 18.5668 -10.3021 18.5669 -46.6734 GPRESSAVG: 2956800 -14.2164 20.6738 -11.99 17.5249 58.9549 20.0343 -11.0544 18.8766 -46.3879 TIMING: 2956800 CPU: 8905.95, 0.00300531/step Wall: 8905.95, 0.00300531/step, 1.70568 hours remaining, 209.773438 MB of memory in use. ENERGY: 2956800 732.7747 2020.5823 1969.9368 106.7889 -206451.5975 17863.7706 0.0000 0.0000 34143.9516 -149613.7927 298.1876 -183757.7442 -149517.1721 298.5244 69.6960 101.4222 556887.1862 -0.6502 -0.5498 PRESSURE: 2957000 119.541 172.492 -144.94 172.493 -38.5422 -32.8325 -144.94 -32.8343 -18.8487 GPRESSURE: 2957000 158.125 147.036 -165.203 152.157 29.178 -54.3614 -179.041 33.7655 -33.7178 PRESSAVG: 2957000 40.2633 -12.2955 -63.3755 -12.2955 -8.79454 23.1158 -63.3755 23.1157 -76.754 GPRESSAVG: 2957000 40.6736 -14.9173 -61.6887 -11.3526 -8.94759 22.7277 -61.8606 24.0844 -76.5044 TIMING: 2957000 CPU: 8906.54, 0.00297535/step Wall: 8906.54, 0.00297535/step, 1.68851 hours remaining, 209.773438 MB of memory in use. ENERGY: 2957000 800.1644 2120.7074 1949.7913 103.4654 -206392.3978 17860.5044 0.0000 0.0000 34013.7616 -149544.0032 297.0506 -183557.7649 -149451.6745 298.1163 20.7166 51.1952 557783.6733 -15.0951 -14.9261 PRESSURE: 2957200 -46.1232 -157.132 28.5002 -157.132 -68.5198 48.1209 28.4999 48.1213 -314.645 GPRESSURE: 2957200 25.1603 -184.008 -56.2656 -91.1487 -47.0223 8.6112 125.806 94.1474 -305.1 PRESSAVG: 2957200 77.1049 -26.6275 -37.9977 -26.6275 20.3759 15.1136 -37.9977 15.1137 -59.0246 GPRESSAVG: 2957200 77.5724 -26.9785 -39.2718 -27.0015 21.1513 16.1169 -39.8306 12.3303 -60.8252 TIMING: 2957200 CPU: 8907.15, 0.00301744/step Wall: 8907.15, 0.00301744/step, 1.71223 hours remaining, 209.773438 MB of memory in use. ENERGY: 2957200 714.0089 2102.1055 1929.0880 106.2107 -206030.3564 17484.3815 0.0000 0.0000 33950.0496 -149744.5122 296.4942 -183694.5618 -149648.4116 297.7609 -143.0961 -108.9874 556968.6637 12.8187 12.6328 PRESSURE: 2957400 147.125 -72.7717 -264.78 -72.7727 8.71475 190.433 -264.779 190.432 203.024 GPRESSURE: 2957400 121.38 -113.933 -190.752 -106.694 52.4211 146.234 -268.342 175.79 278.751 PRESSAVG: 2957400 9.66865 14.3747 -15.2174 14.3747 -18.6715 1.03632 -15.2174 1.03621 -32.6535 GPRESSAVG: 2957400 8.17504 16.2847 -12.9224 14.0145 -18.8827 1.69437 -13.7087 2.78714 -30.9918 TIMING: 2957400 CPU: 8907.75, 0.00299483/step Wall: 8907.75, 0.00299483/step, 1.69923 hours remaining, 209.773438 MB of memory in use. ENERGY: 2957400 713.6055 2164.6879 1963.4469 101.4450 -206963.5012 18104.2838 0.0000 0.0000 34242.4363 -149673.5959 299.0477 -183916.0321 -149580.9172 297.8243 119.6213 150.8507 555867.1953 -13.8854 -13.8998 PRESSURE: 2957600 23.3463 -6.5475 104.693 -6.54839 -23.2925 -159.65 104.691 -159.649 -89.3213 GPRESSURE: 2957600 57.9396 -37.8679 101.527 -33.0641 25.7939 -112.475 93.8643 -99.0556 -88.1717 PRESSAVG: 2957600 -5.36844 -42.5903 24.3191 -42.5902 21.4912 47.7992 24.3191 47.799 -33.7705 GPRESSAVG: 2957600 -5.56967 -44.5003 24.8231 -42.6276 21.0163 47.4175 23.0854 46.0076 -32.9491 TIMING: 2957600 CPU: 8908.35, 0.00300684/step Wall: 8908.35, 0.00300684/step, 1.70588 hours remaining, 209.773438 MB of memory in use. ENERGY: 2957600 754.6075 2092.2098 1943.2180 115.7132 -206300.8353 17812.3766 0.0000 0.0000 33779.2978 -149803.4124 295.0030 -183582.7102 -149708.1189 298.1565 -29.7558 -1.4794 556771.6954 -5.8826 -5.8342 PRESSURE: 2957800 183.623 135.77 -190.25 135.771 446.198 -20.5885 -190.249 -20.5899 34.1004 GPRESSURE: 2957800 282.455 184.476 -109.893 156.364 438.5 31.1499 -155.258 11.6682 34.2639 PRESSAVG: 2957800 -14.9149 -33.8774 -7.02182 -33.8775 41.4808 14.6973 -7.02186 14.6973 -54.7021 GPRESSAVG: 2957800 -14.2972 -32 -8.32504 -33.9279 41.273 13.6807 -7.65512 18.0415 -55.118 TIMING: 2957800 CPU: 8908.95, 0.0029984/step Wall: 8908.95, 0.0029984/step, 1.70093 hours remaining, 209.773438 MB of memory in use. ENERGY: 2957800 788.0803 2060.5779 1948.7601 114.9115 -206956.2101 18211.9056 0.0000 0.0000 34224.0400 -149607.9347 298.8871 -183831.9747 -149510.8665 297.9356 221.3069 251.7398 555706.7037 -9.3787 -9.3807 PRESSURE: 2958000 -135.434 54.1423 -38.5392 54.143 -82.9851 2.64329 -38.54 2.64452 228.309 GPRESSURE: 2958000 -52.8758 61.5469 -85.2547 28.1191 -101.874 -3.25226 -22.2112 33.4619 254.481 PRESSAVG: 2958000 -10.2636 46.4423 21.948 46.4423 -22.0965 32.7221 21.948 32.7221 -23.7703 GPRESSAVG: 2958000 -10.0484 45.6837 21.218 46.4729 -22.1031 33.242 22.4525 30.1535 -23.9442 TIMING: 2958000 CPU: 8909.54, 0.00298512/step Wall: 8909.54, 0.00298512/step, 1.69323 hours remaining, 209.773438 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: 2958000 723.8418 2040.5775 1946.9654 113.5575 -206790.5638 18008.1885 0.0000 0.0000 34231.1937 -149726.2394 298.9495 -183957.4331 -149621.0367 298.4238 3.2967 33.2438 555904.3660 -18.7101 -18.6986 PRESSURE: 2958200 -101.543 74.1042 84.0811 74.1046 112.739 55.3318 84.0817 55.332 187.826 GPRESSURE: 2958200 -5.6856 215.025 91.3665 -34.6061 119.448 77.5125 -14.2896 117.365 174.466 PRESSAVG: 2958200 -42.2213 34.4262 -12.3799 34.4262 8.97955 47.8901 -12.3799 47.89 28.565 GPRESSAVG: 2958200 -42.3884 36.0005 -11.9239 33.905 9.94731 46.3384 -12.8519 49.4357 27.2917 TIMING: 2958200 CPU: 8910.14, 0.00298598/step Wall: 8910.14, 0.00298598/step, 1.69355 hours remaining, 209.773438 MB of memory in use. ENERGY: 2958200 716.6656 2109.7623 1948.8501 117.1402 -206460.6315 17890.7883 0.0000 0.0000 34020.7878 -149656.6373 297.1120 -183677.4251 -149566.1274 298.3549 66.3407 96.0761 556797.5295 -1.5589 -1.7165 PRESSURE: 2958400 -22.5085 142.595 -1.9757 142.595 -129.315 138.683 -1.97605 138.683 69.5419 GPRESSURE: 2958400 9.62473 180.665 -47.6205 163.501 -95.1922 156.258 31.7633 131.579 100.934 PRESSAVG: 2958400 -39.6861 28.4885 16.9767 28.4884 24.2158 44.3293 16.9767 44.3292 6.21496 GPRESSAVG: 2958400 -40.2925 28.5984 18.1058 28.8388 24.3746 44.7991 19.1696 44.8314 6.10186 TIMING: 2958400 CPU: 8910.73, 0.00297253/step Wall: 8910.73, 0.00297253/step, 1.68575 hours remaining, 209.773438 MB of memory in use. ENERGY: 2958400 777.0285 2114.2246 1923.8142 117.6941 -206682.2654 17915.7927 0.0000 0.0000 34169.2528 -149664.4586 298.4086 -183833.7114 -149564.5065 297.8820 -27.4273 5.1223 555992.6349 -3.0851 -3.2720 PRESSURE: 2958600 116.226 2.92897 -29.4382 2.92773 88.716 -63.546 -29.4384 -63.5458 154.009 GPRESSURE: 2958600 115.4 71.9115 -99.9694 -21.0168 162.359 -61.6608 -120.019 -27.8048 182.208 PRESSAVG: 2958600 3.79642 24.6685 -31.732 24.6685 45.4486 7.04886 -31.732 7.04886 -39.667 GPRESSAVG: 2958600 3.3776 21.7579 -32.7801 24.3553 46.0871 9.36546 -33.1725 6.38306 -39.7819 TIMING: 2958600 CPU: 8911.33, 0.00297456/step Wall: 8911.33, 0.00297456/step, 1.68674 hours remaining, 209.773438 MB of memory in use. ENERGY: 2958600 715.3394 2097.4016 1965.0734 114.9276 -206530.9612 17913.0648 0.0000 0.0000 34153.4881 -149571.6663 298.2709 -183725.1544 -149485.4515 298.4592 119.6503 153.3226 556381.0927 3.1927 3.2276 PRESSURE: 2958800 47.5951 -74.8644 23.6906 -74.865 194.684 -91.2142 23.6908 -91.2143 11.1732 GPRESSURE: 2958800 49.2706 -76.8061 -32.5796 -50.0691 215.45 -100.717 55.6243 -56.659 72.1613 PRESSAVG: 2958800 96.8832 -55.0586 21.4365 -55.0586 -13.9541 43.7577 21.4365 43.7576 -38.3916 GPRESSAVG: 2958800 98.0792 -53.6805 19.5943 -54.6146 -15.1733 41.1673 22.3869 43.8994 -39.0969 TIMING: 2958800 CPU: 8911.93, 0.00299345/step Wall: 8911.93, 0.00299345/step, 1.69729 hours remaining, 209.773438 MB of memory in use. ENERGY: 2958800 784.5688 2104.1571 1987.7180 117.9729 -206114.0664 17849.7925 0.0000 0.0000 33974.4407 -149295.4163 296.7072 -183269.8570 -149208.9638 299.5710 84.4842 112.2941 558449.8315 14.8458 14.6030 PRESSURE: 2959000 -73.9178 105.007 36.8997 105.006 30.0076 -160.628 36.8984 -160.628 -264.777 GPRESSURE: 2959000 -56.4965 93.8954 17.9476 57.2407 63.8158 -180.325 -25.8409 -187.638 -218.654 PRESSAVG: 2959000 6.73136 5.96203 -6.14106 5.96194 -3.75015 41.5207 -6.14122 41.5209 -7.14944 GPRESSAVG: 2959000 6.6268 5.7971 -4.39767 5.34455 -3.73672 43.4936 -6.34911 41.3093 -6.89051 TIMING: 2959000 CPU: 8912.53, 0.00300418/step Wall: 8912.53, 0.00300418/step, 1.7032 hours remaining, 209.773438 MB of memory in use. ENERGY: 2959000 777.7874 2114.1541 1974.8676 117.2964 -206258.7890 17707.8800 0.0000 0.0000 34223.0357 -149343.7677 298.8783 -183566.8034 -149251.4093 298.9297 -102.8958 -70.4450 557360.4848 -1.3894 -1.3335 PRESSURE: 2959200 47.4842 -13.9562 67.3416 -13.9558 89.246 -171.251 67.3424 -171.252 84.2315 GPRESSURE: 2959200 47.3191 -49.9471 15.6548 -26.2732 166.942 -125.055 70.8065 -165.072 101.29 PRESSAVG: 2959200 -29.0384 -24.1699 -17.1591 -24.1699 44.8404 -14.8981 -17.1591 -14.8981 -38.0867 GPRESSAVG: 2959200 -30.2436 -24.9597 -15.5482 -23.9929 46.0264 -15.41 -19.3068 -14.9121 -37.218 TIMING: 2959200 CPU: 8913.13, 0.00301525/step Wall: 8913.13, 0.00301525/step, 1.70931 hours remaining, 209.976562 MB of memory in use. ENERGY: 2959200 753.4614 2094.8403 1961.6018 116.8277 -206583.9388 17954.6874 0.0000 0.0000 34150.4455 -149552.0747 298.2443 -183702.5202 -149459.9261 298.8635 73.6539 105.1837 555130.6198 -7.4282 -7.1451 PRESSURE: 2959400 133.042 -79.2081 -153.519 -79.2091 -73.8471 -22.0112 -153.519 -22.0118 -325.548 GPRESSURE: 2959400 191.112 -80.5293 -199.697 -64.4066 5.28574 -100.991 -62.4992 20.8673 -369.67 PRESSAVG: 2959400 -3.57205 -64.6802 -27.5435 -64.6802 -16.1047 29.9848 -27.5434 29.9847 14.7872 GPRESSAVG: 2959400 -2.87786 -66.7603 -28.6036 -64.7247 -16.3373 28.1769 -26.1232 30.22 14.3643 TIMING: 2959400 CPU: 8913.74, 0.0030231/step Wall: 8913.74, 0.0030231/step, 1.71359 hours remaining, 209.976562 MB of memory in use. ENERGY: 2959400 739.2844 2122.4648 1944.7585 108.1665 -206588.5081 17885.0669 0.0000 0.0000 34323.3186 -149465.4484 299.7541 -183788.7670 -149366.6891 298.9489 -88.7842 -57.7574 556781.7017 -1.6298 -1.6169 PRESSURE: 2959600 96.6843 -101.56 -121.244 -101.559 -128.704 -14.95 -121.243 -14.9502 81.2191 GPRESSURE: 2959600 72.6559 -75.6626 -107.529 -121.662 -73.495 54.6321 -161.956 -81.7323 138.832 PRESSAVG: 2959600 77.7818 -7.24325 -66.4032 -7.24333 42.1296 11.5603 -66.4032 11.5604 -88.859 GPRESSAVG: 2959600 78.8167 -4.95918 -67.0647 -7.41798 41.1243 13.2999 -67.1095 11.0616 -88.9685 TIMING: 2959600 CPU: 8914.34, 0.00302209/step Wall: 8914.34, 0.00302209/step, 1.71285 hours remaining, 209.976562 MB of memory in use. ENERGY: 2959600 760.1879 2119.7523 1955.6386 129.6780 -206402.1475 17858.0258 0.0000 0.0000 34226.2407 -149352.6242 298.9063 -183578.8649 -149256.9115 299.4819 16.3998 45.9975 557871.6365 10.3508 10.3242 PRESSURE: 2959800 37.1999 93.3689 -20.6951 93.369 -176.653 -153.41 -20.6949 -153.409 -4.05757 GPRESSURE: 2959800 59.3529 60.8963 -48.3253 119.571 -113.317 -84.598 17.482 -98.3557 9.20137 PRESSAVG: 2959800 6.70157 -16.0898 -34.1071 -16.0898 53.8029 11.5464 -34.1071 11.5463 -64.1836 GPRESSAVG: 2959800 6.78673 -15.0647 -34.2585 -17.1121 54.057 11.22 -32.8301 12.9135 -64.2488 TIMING: 2959800 CPU: 8914.94, 0.0030049/step Wall: 8914.94, 0.0030049/step, 1.70294 hours remaining, 209.976562 MB of memory in use. ENERGY: 2959800 731.3856 2103.1946 1929.3446 118.0743 -206372.8593 17675.5913 0.0000 0.0000 34270.1071 -149545.1618 299.2894 -183815.2689 -149450.5920 299.3397 -47.8369 -14.9208 556615.4156 -1.2264 -1.1350 PRESSURE: 2960000 -17.4565 -93.157 154.327 -93.1579 107.478 76.7825 154.327 76.781 23.5634 GPRESSURE: 2960000 -9.37034 -92.0428 126.759 -62.9408 123.414 95.3811 147.371 11.738 93.8247 PRESSAVG: 2960000 -10.7135 24.2173 13.5884 24.2173 -3.75671 20.0659 13.5884 20.0658 9.44571 GPRESSAVG: 2960000 -10.9314 23.6695 11.1683 25.5831 -3.58093 20.6698 14.7263 17.7562 9.2611 TIMING: 2960000 CPU: 8915.54, 0.00300603/step Wall: 8915.54, 0.00300603/step, 1.70342 hours remaining, 209.976562 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: 2960000 753.7246 2125.7187 1974.1756 112.7441 -206379.2146 17844.2329 0.0000 0.0000 34117.3202 -149451.2984 297.9550 -183568.6187 -149354.0212 299.0598 37.8618 69.2895 556356.2941 -1.6748 -1.7504 PRESSURE: 2960200 -221.937 -79.7175 -53.4102 -79.7163 66.1666 -147.316 -53.4103 -147.316 -73.1231 GPRESSURE: 2960200 -136.317 -6.17288 -19.8779 -77.9926 47.018 -4.5154 -146.955 -174.405 -38.6726 PRESSAVG: 2960200 0.527005 -1.59704 28.4055 -1.59705 16.7119 -19.6656 28.4053 -19.6655 -1.53225 GPRESSAVG: 2960200 -1.05122 -3.12 30.7198 -0.761347 18.136 -21.0273 26.8431 -19.7845 -1.16941 TIMING: 2960200 CPU: 8916.15, 0.00300755/step Wall: 8916.15, 0.00300755/step, 1.70411 hours remaining, 209.976562 MB of memory in use. ENERGY: 2960200 817.2955 2137.6620 1935.7490 110.3085 -206593.8352 17930.0847 0.0000 0.0000 34242.7683 -149419.9672 299.0506 -183662.7355 -149327.1958 298.8252 -76.2977 -42.6573 556431.6917 5.2355 5.3051 LDB: ============= START OF LOAD BALANCING ============== 8919.66 LDB: ============== END OF LOAD BALANCING =============== 8919.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8919.66 LDB: ============= START OF LOAD BALANCING ============== 8919.96 LDB: Largest compute 4794 load 0.026436 is 22.4% of average load 0.118067 LDB: Average compute 0.001714 is 1.5% of average load 0.118067 LDB: TIME 8919.96 LOAD: AVG 0.118067 MAX 0.206456 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.543 MB LDB: TIME 8919.96 LOAD: AVG 0.118067 MAX 0.206456 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.75 MB LDB: TIME 8919.96 LOAD: AVG 0.118067 MAX 0.206456 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.75 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8919.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8919.97 PRESSURE: 2960400 60.6645 -127.057 61.9233 -127.058 -133.626 -35.1335 61.9228 -35.1333 203.223 GPRESSURE: 2960400 106.66 -66.5923 61.2319 -140.185 -62.8834 -22.8502 17.8325 -104.235 195.427 PRESSAVG: 2960400 1.5615 3.91878 -25.7928 3.91879 33.4689 -81.4418 -25.7929 -81.4419 -60.7237 GPRESSAVG: 2960400 1.94939 5.07392 -24.3157 4.18886 32.553 -79.345 -28.1333 -81.3492 -59.5223 TIMING: 2960400 CPU: 8916.75, 0.00304606/step Wall: 8916.75, 0.00304606/step, 1.72576 hours remaining, 208.687500 MB of memory in use. ENERGY: 2960400 774.3193 2085.5585 1932.9957 111.3842 -206556.7550 17951.4730 0.0000 0.0000 34229.8578 -149471.1664 298.9379 -183701.0243 -149382.6190 299.1349 43.4202 79.7347 555050.8508 -8.5644 -8.3400 PRESSURE: 2960600 -163.442 104.767 18.7236 104.767 -23.1591 52.1482 18.7231 52.1481 -33.9569 GPRESSURE: 2960600 -102.115 118.244 20.0625 42.6566 25.1451 -46.6452 31.2035 90.9487 -54.9796 PRESSAVG: 2960600 14.0754 2.10741 -19.8864 2.10741 61.2124 8.38693 -19.8865 8.38704 -32.1489 GPRESSAVG: 2960600 14.3812 1.89044 -23.3008 1.63314 61.0363 5.55548 -16.0356 9.41743 -32.3449 TIMING: 2960600 CPU: 8917.35, 0.00298689/step Wall: 8917.35, 0.00298689/step, 1.69207 hours remaining, 208.687500 MB of memory in use. ENERGY: 2960600 714.0410 2123.8179 1944.0407 108.1966 -206360.1557 17847.0679 0.0000 0.0000 34191.5253 -149431.4664 298.6031 -183622.9917 -149337.4623 299.7787 -73.5195 -43.9832 556689.7600 14.3796 14.3575 PRESSURE: 2960800 -25.6974 127.77 11.4425 127.771 269.006 59.1543 11.4424 59.1549 -29.2036 GPRESSURE: 2960800 6.04681 75.4337 -9.3369 79.3474 371.6 46.1968 9.85526 76.5799 -64.806 PRESSAVG: 2960800 35.0993 52.6861 -14.5357 52.6862 23.7327 16.1442 -14.5357 16.1443 -91.7679 GPRESSAVG: 2960800 35.4599 54.0352 -13.443 52.3997 25.1874 18.1585 -14.8642 15.3832 -93.0228 TIMING: 2960800 CPU: 8917.95, 0.00301474/step Wall: 8917.95, 0.00301474/step, 1.70768 hours remaining, 208.687500 MB of memory in use. ENERGY: 2960800 741.0044 2151.7691 1944.8651 110.4806 -206248.3269 17831.7006 0.0000 0.0000 34055.1905 -149413.3166 297.4124 -183468.5071 -149309.7766 298.8075 71.3682 104.2804 556468.8888 -10.9786 -10.7918 PRESSURE: 2961000 191.107 -26.753 36.6316 -26.7524 -28.1767 143.294 36.6301 143.293 89.2322 GPRESSURE: 2961000 210.028 -40.1804 -24.1627 22.0979 53.6163 163.9 -39.5804 120.059 86.4789 PRESSAVG: 2961000 -35.1194 -3.12064 -28.0295 -3.12058 71.3323 8.04097 -28.0295 8.04097 -3.01776 GPRESSAVG: 2961000 -34.859 -7.36195 -27.7972 -2.27041 71.122 7.68815 -27.7121 9.34158 -2.63835 TIMING: 2961000 CPU: 8918.55, 0.00298933/step Wall: 8918.55, 0.00298933/step, 1.69313 hours remaining, 208.687500 MB of memory in use. ENERGY: 2961000 761.2699 2090.3980 1941.3224 114.2063 -206493.8344 18011.6987 0.0000 0.0000 34003.2105 -149571.7287 296.9585 -183574.9392 -149483.9371 298.3193 84.0541 116.7078 555929.5388 11.0651 11.2082 PRESSURE: 2961200 -226.445 -90.905 174.768 -90.9057 280.884 -70.8839 174.768 -70.8841 -241.105 GPRESSURE: 2961200 -185.345 -131.41 194.526 -51.0068 260.467 -65.8938 71.7871 -82.7004 -173.512 PRESSAVG: 2961200 2.16068 -7.87226 -33.6572 -7.87223 51.478 47.6295 -33.6571 47.6295 -37.1332 GPRESSAVG: 2961200 2.85213 -6.6524 -34.8696 -6.70665 50.3969 50.1556 -32.5807 47.362 -36.3455 TIMING: 2961200 CPU: 8919.16, 0.00302006/step Wall: 8919.16, 0.00302006/step, 1.71036 hours remaining, 208.687500 MB of memory in use. ENERGY: 2961200 757.4355 2093.3059 1946.5990 117.9623 -206052.2824 17592.1731 0.0000 0.0000 34224.7015 -149320.1051 298.8928 -183544.8066 -149219.8936 298.7866 -62.2221 -32.7967 556818.1940 5.5018 5.6345 PRESSURE: 2961400 187.764 -192.052 -62.7391 -192.05 -125.724 -166.806 -62.7401 -166.807 11.3072 GPRESSURE: 2961400 232.208 -168.236 -89.5416 -200.994 -105.34 -21.7939 7.20315 -201.371 44.6249 PRESSAVG: 2961400 21.4371 -58.7111 2.27423 -58.711 25.8466 50.3941 2.27422 50.3941 -27.1585 GPRESSAVG: 2961400 20.6548 -58.1206 4.75108 -61.6334 26.8513 48.8128 0.840755 49.3835 -27.1359 TIMING: 2961400 CPU: 8919.76, 0.00301767/step Wall: 8919.76, 0.00301767/step, 1.70884 hours remaining, 208.687500 MB of memory in use. ENERGY: 2961400 744.7899 2036.1661 1929.9098 117.2800 -206183.3717 17770.5445 0.0000 0.0000 34115.9476 -149468.7338 297.9431 -183584.6814 -149378.1811 298.6564 24.4491 57.1644 555873.7578 6.7084 6.7901 PRESSURE: 2961600 12.9217 -72.209 15.0391 -72.2096 -56.0667 -24.3656 15.0395 -24.3681 33.3696 GPRESSURE: 2961600 64.3555 -50.215 99.0414 -63.6186 29.0244 -2.95971 29.582 -56.3266 2.0614 PRESSAVG: 2961600 74.7565 -52.2361 -31.1787 -52.236 -16.5151 -11.3469 -31.1787 -11.3471 -37.4638 GPRESSAVG: 2961600 75.6677 -52.0959 -32.2616 -49.8199 -17.3183 -11.9093 -31.8351 -10.8401 -37.69 TIMING: 2961600 CPU: 8920.36, 0.00299463/step Wall: 8920.36, 0.00299463/step, 1.69562 hours remaining, 208.687500 MB of memory in use. ENERGY: 2961600 760.8720 2035.8790 1928.3835 110.1194 -206663.6382 17895.3587 0.0000 0.0000 34428.0528 -149504.9728 300.6687 -183933.0256 -149401.9567 298.9119 -3.2585 31.8138 555577.8487 6.9259 6.8865 PRESSURE: 2961800 86.5904 -13.218 -11.2824 -13.2178 -138.837 -12.685 -11.2821 -12.6868 143.262 GPRESSURE: 2961800 90.0762 -34.7334 -29.2534 -2.39213 -105.479 -30.005 -4.13535 -46.9301 204.022 PRESSAVG: 2961800 -1.86011 30.8876 -6.75186 30.8877 65.9156 5.01014 -6.75183 5.01002 -21.4186 GPRESSAVG: 2961800 -1.67074 32.8002 -7.75524 28.6267 67.0211 2.83722 -5.8789 7.26377 -22.3113 TIMING: 2961800 CPU: 8920.96, 0.00298145/step Wall: 8920.96, 0.00298145/step, 1.688 hours remaining, 208.687500 MB of memory in use. ENERGY: 2961800 722.8139 2073.1569 1969.1153 112.2151 -206286.9497 17882.5122 0.0000 0.0000 34006.2988 -149520.8376 296.9855 -183527.1364 -149428.8792 298.3548 30.3387 62.8731 556754.4449 14.2123 14.3464 PRESSURE: 2962000 -10.7649 251.91 90.6899 251.91 -109.51 -72.2962 90.6904 -72.2948 -63.712 GPRESSURE: 2962000 31.7532 183.24 -7.67479 343.739 -91.321 -116.789 55.1427 -23.5569 -32.3728 PRESSAVG: 2962000 -15.7524 61.1324 0.117532 61.1325 -9.32244 -25.7654 0.117451 -25.7654 13.5295 GPRESSAVG: 2962000 -17.3135 61.0532 0.664297 60.8952 -9.21686 -24.7536 -0.974409 -26.588 15.1978 TIMING: 2962000 CPU: 8921.56, 0.00301172/step Wall: 8921.56, 0.00301172/step, 1.70497 hours remaining, 208.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2962000 691.3239 2104.6308 1935.3582 110.8853 -206144.8031 17590.7170 0.0000 0.0000 34385.0754 -149326.8124 300.2934 -183711.8878 -149228.2450 299.0351 -61.3288 -30.6469 556916.8285 -3.8484 -3.7775 PRESSURE: 2962200 -52.8349 129.908 294.599 129.908 -98.1312 205.56 294.6 205.56 -217.844 GPRESSURE: 2962200 25.0704 118.478 215.289 75.276 -71.3962 227.325 367.832 114.535 -232.226 PRESSAVG: 2962200 3.70134 39.2696 52.2082 39.2695 17.8273 3.0626 52.2083 3.06263 8.59228 GPRESSAVG: 2962200 3.79656 38.9595 53.1361 39.706 18.3637 2.42424 51.357 3.03896 8.29701 TIMING: 2962200 CPU: 8922.16, 0.00301312/step Wall: 8922.16, 0.00301312/step, 1.70559 hours remaining, 208.687500 MB of memory in use. ENERGY: 2962200 779.4892 2026.4763 1941.3914 111.2052 -206367.1843 17799.4525 0.0000 0.0000 34227.1036 -149482.0663 298.9138 -183709.1698 -149382.0086 298.6857 -122.9367 -92.8506 558319.4003 10.0403 10.1524 PRESSURE: 2962400 114.564 -98.2191 -139.905 -98.2186 185.274 -54.8995 -139.904 -54.9002 476.754 GPRESSURE: 2962400 115.445 -111.451 -182.09 1.31598 242.953 -26.8057 -142.822 46.2138 520.489 PRESSAVG: 2962400 34.0066 8.05418 37.3263 8.05432 -37.3697 -10.1782 37.3262 -10.1781 31.8785 GPRESSAVG: 2962400 33.695 8.23433 34.2329 7.73414 -37.1639 -9.77253 40.0321 -10.2137 31.5732 TIMING: 2962400 CPU: 8922.76, 0.00299798/step Wall: 8922.76, 0.00299798/step, 1.69685 hours remaining, 208.687500 MB of memory in use. ENERGY: 2962400 708.2709 2107.2364 1944.2214 115.2606 -206552.6427 18014.9436 0.0000 0.0000 34149.4344 -149513.2754 298.2355 -183662.7098 -149423.4521 298.5290 258.8637 292.9625 557685.7071 9.5052 9.3681 PRESSURE: 2962600 -291.204 -72.4403 72.9904 -72.4399 -40.9363 22.2558 72.9908 22.2534 -150.031 GPRESSURE: 2962600 -235.123 -115.506 102.67 -67.3257 0.158898 -70.7615 96.8302 70.6887 -148.7 PRESSAVG: 2962600 108.442 35.9593 -5.98803 35.9592 -42.4412 -26.5308 -5.98804 -26.5309 -67.798 GPRESSAVG: 2962600 109.622 33.8224 -4.6554 37.6055 -43.4941 -24.9665 -6.58473 -27.5004 -67.7973 TIMING: 2962600 CPU: 8923.36, 0.00298902/step Wall: 8923.36, 0.00298902/step, 1.69162 hours remaining, 208.687500 MB of memory in use. ENERGY: 2962600 753.2956 2008.8368 1948.8334 116.4692 -205897.0027 17526.3095 0.0000 0.0000 34164.7203 -149378.5379 298.3690 -183543.2582 -149285.5410 298.2292 -160.7239 -127.8878 557885.1688 -0.5989 -0.5563 PRESSURE: 2962800 -435.961 66.0567 -50.7702 66.0556 0.88123 103.031 -50.7705 103.032 169.141 GPRESSURE: 2962800 -329.251 99.1993 -3.54922 49.0347 28.0794 67.4631 -37.4836 57.4183 136.673 PRESSAVG: 2962800 -35.0711 9.652 -11.3568 9.65189 26.0327 -17.9438 -11.3569 -17.9437 53.7086 GPRESSAVG: 2962800 -36.5517 8.06203 -12.3051 9.90495 26.2449 -17.1577 -10.0358 -18.6287 55.1069 TIMING: 2962800 CPU: 8923.95, 0.00297605/step Wall: 8923.95, 0.00297605/step, 1.68411 hours remaining, 208.687500 MB of memory in use. ENERGY: 2962800 719.2255 2087.6466 1955.7618 118.0485 -205900.8945 17513.4904 0.0000 0.0000 34182.8486 -149323.8731 298.5273 -183506.7217 -149223.0455 298.5857 -88.6464 -54.8328 557412.1782 14.8900 14.9333 PRESSURE: 2963000 -85.3864 -14.0187 130.992 -14.0194 -112.516 1.89104 130.993 1.89145 66.3304 GPRESSURE: 2963000 -44.5848 -56.6278 125.613 -2.754 -76.6619 19.7409 137.021 -27.3184 88.856 PRESSAVG: 2963000 -40.9652 -4.51399 -26.3108 -4.51404 -3.92861 -19.3131 -26.3108 -19.3131 63.6084 GPRESSAVG: 2963000 -39.8749 -3.54231 -25.8922 -5.79947 -3.402 -20.1187 -27.9505 -18.6236 62.3686 TIMING: 2963000 CPU: 8924.55, 0.0029821/step Wall: 8924.55, 0.0029821/step, 1.68737 hours remaining, 208.687500 MB of memory in use. ENERGY: 2963000 750.7954 2033.7269 1900.8004 110.3118 -206266.6005 17860.6219 0.0000 0.0000 34147.7598 -149462.5844 298.2209 -183610.3442 -149366.0462 298.6011 -43.8574 -10.7969 556346.8039 6.2382 6.3639 PRESSURE: 2963200 -194.839 -127.351 -73.9006 -127.352 -51.9731 50.019 -73.8996 50.0202 -54.1416 GPRESSURE: 2963200 -92.733 -183.442 -90.3324 -211.761 20.9461 68.4507 -65.2933 33.7837 -125.776 PRESSAVG: 2963200 -10.5692 -40.6681 60.7321 -40.668 -39.1353 -26.6077 60.7321 -26.6077 19.5619 GPRESSAVG: 2963200 -9.95293 -41.2296 62.8581 -39.3636 -39.9695 -27.5317 61.5716 -27.838 19.486 TIMING: 2963200 CPU: 8925.15, 0.00299047/step Wall: 8925.15, 0.00299047/step, 1.69194 hours remaining, 208.687500 MB of memory in use. ENERGY: 2963200 737.2783 2047.6128 1922.9382 115.1472 -206206.4378 17596.8400 0.0000 0.0000 34249.6401 -149536.9813 299.1106 -183786.6214 -149441.0836 298.2754 -100.3180 -65.8542 556039.8603 -10.0475 -10.1455 PRESSURE: 2963400 -82.9559 13.2206 143.772 13.2203 -132.535 -65.3299 143.774 -65.3306 -226.705 GPRESSURE: 2963400 -75.6776 60.6369 178.813 44.249 -159.957 -60.0714 104.068 -79.1079 -103.452 PRESSAVG: 2963400 -42.4006 65.7176 -34.6857 65.7176 15.04 3.36812 -34.6857 3.36809 47.4626 GPRESSAVG: 2963400 -42.1512 67.2623 -33.8937 64.4271 15.201 2.65369 -37.285 4.75366 46.783 TIMING: 2963400 CPU: 8925.74, 0.00298026/step Wall: 8925.74, 0.00298026/step, 1.686 hours remaining, 208.687500 MB of memory in use. ENERGY: 2963400 753.6081 1999.2316 1912.1635 111.4519 -206216.4102 17744.7479 0.0000 0.0000 34088.3731 -149606.8342 297.7022 -183695.2073 -149504.2139 298.2837 -147.3986 -113.0287 557344.0953 6.7007 6.6109 PRESSURE: 2963600 -55.9319 38.7214 -22.3681 38.7204 -60.2085 14.4421 -22.3685 14.4428 169.254 GPRESSURE: 2963600 -47.2158 72.479 -15.211 67.164 -51.6 -5.9668 -29.3683 20.0238 247.477 PRESSAVG: 2963600 21.1168 9.80089 55.3875 9.8009 -30.129 -12.4571 55.3875 -12.4574 11.024 GPRESSAVG: 2963600 20.3678 10.6185 56.2211 8.53573 -29.9939 -13.4464 54.6879 -13.7031 11.139 TIMING: 2963600 CPU: 8926.34, 0.00297493/step Wall: 8926.34, 0.00297493/step, 1.68282 hours remaining, 208.687500 MB of memory in use. ENERGY: 2963600 764.1604 2052.7700 1934.4111 111.5744 -206451.9130 17941.9092 0.0000 0.0000 34060.1703 -149586.9175 297.4559 -183647.0877 -149487.6762 298.2827 17.7045 49.5536 557905.9373 0.6706 0.5043 PRESSURE: 2963800 -254.573 -49.9392 58.9728 -49.9402 -66.9751 47.9213 58.973 47.9208 -68.3669 GPRESSURE: 2963800 -230.152 -85.3139 56.2756 -23.9526 -10.8494 94.6525 60.9221 54.9222 -50.4816 PRESSAVG: 2963800 -54.9055 27.159 39.0133 27.159 -19.1781 19.3467 39.0133 19.3467 63.5946 GPRESSAVG: 2963800 -54.1215 25.9423 36.7138 28.3031 -18.2615 20.2323 42.8261 20.8796 62.0474 TIMING: 2963800 CPU: 8926.94, 0.00301294/step Wall: 8926.94, 0.00301294/step, 1.70415 hours remaining, 208.890625 MB of memory in use. ENERGY: 2963800 738.4824 2096.7696 1930.4750 114.6091 -206461.3281 17918.9458 0.0000 0.0000 34235.4889 -149426.5573 298.9870 -183662.0462 -149322.8672 298.2150 -129.9716 -97.1609 559684.1656 -3.4964 -3.4452 PRESSURE: 2964000 -15.9222 -150.612 162.006 -150.611 -32.8104 -64.3732 162.006 -64.3729 150.788 GPRESSURE: 2964000 -10.7372 -148.326 116.6 -148.522 40.3818 -91.1673 136.569 -122.929 153.169 PRESSAVG: 2964000 1.80569 -8.95222 38.2171 -8.95221 -14.51 25.3023 38.2171 25.3022 46.9094 GPRESSAVG: 2964000 2.21911 -6.54903 39.7641 -11.5696 -15.7764 26.2693 35.7025 24.303 47.5013 TIMING: 2964000 CPU: 8927.54, 0.0030185/step Wall: 8927.54, 0.0030185/step, 1.70713 hours remaining, 208.890625 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: 2964000 711.5360 2103.4044 1949.6011 111.5937 -206165.2692 17824.3822 0.0000 0.0000 33987.4966 -149477.2551 296.8213 -183464.7517 -149380.5902 298.5989 34.0185 60.9378 558779.0518 11.4017 11.3147 PRESSURE: 2964200 -108.112 0.587153 -37.3957 0.585971 -70.1226 -45.4184 -37.3953 -45.42 -343.567 GPRESSURE: 2964200 -109.474 -114.554 -0.344831 11.4732 10.2402 1.90242 -47.4334 -1.02538 -327.784 PRESSAVG: 2964200 15.2132 -14.8804 6.17364 -14.8806 16.4562 -7.46587 6.17368 -7.46588 -33.8169 GPRESSAVG: 2964200 14.4231 -17.7305 5.19232 -11.7075 15.8509 -8.53337 6.26068 -5.90037 -32.7604 TIMING: 2964200 CPU: 8928.16, 0.00305896/step Wall: 8928.16, 0.00305896/step, 1.72984 hours remaining, 208.890625 MB of memory in use. ENERGY: 2964200 777.7167 2082.7172 1936.9518 98.8907 -205902.2242 17523.8868 0.0000 0.0000 34184.7489 -149297.3121 298.5439 -183482.0610 -149205.6219 298.9270 -173.9340 -142.3393 557916.8960 -0.7158 -0.8288 LDB: ============= START OF LOAD BALANCING ============== 8931.67 LDB: ============== END OF LOAD BALANCING =============== 8931.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8931.68 LDB: ============= START OF LOAD BALANCING ============== 8931.98 LDB: Largest compute 4794 load 0.026899 is 22.8% of average load 0.118071 LDB: Average compute 0.001720 is 1.5% of average load 0.118071 LDB: TIME 8931.98 LOAD: AVG 0.118071 MAX 0.207863 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.973 MB LDB: TIME 8931.98 LOAD: AVG 0.118071 MAX 0.207863 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.02 MB LDB: TIME 8931.98 LOAD: AVG 0.118071 MAX 0.207863 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.02 MB LDB: ============== END OF LOAD BALANCING =============== 8931.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8931.99 PRESSURE: 2964400 -53.4076 -38.7311 -100.173 -38.7323 -115.516 131.278 -100.174 131.276 168.436 GPRESSURE: 2964400 15.8007 -34.1351 -101.297 -11.0213 -87.7081 37.9054 19.6887 222.132 169.542 PRESSAVG: 2964400 -53.1756 -23.3621 -12.5045 -23.362 37.4388 -23.4159 -12.5045 -23.416 -10.5701 GPRESSAVG: 2964400 -54.1123 -21.1619 -11.2912 -25.7423 38.298 -24.1374 -10.5423 -23.6987 -10.0859 TIMING: 2964400 CPU: 8928.77, 0.00307766/step Wall: 8928.77, 0.00307766/step, 1.74025 hours remaining, 209.449219 MB of memory in use. ENERGY: 2964400 763.8455 2106.1975 1936.7255 107.3491 -205845.9904 17698.6509 0.0000 0.0000 34200.3229 -149032.8990 298.6799 -183233.2219 -148947.8302 299.6492 -0.1625 32.5450 556035.0445 -8.7690 -8.6334 PRESSURE: 2964600 68.0114 0.636543 89.6211 0.635375 69.6796 -108.853 89.6214 -108.853 -11.0211 GPRESSURE: 2964600 122.681 6.04082 219.285 58.7734 90.6915 -204.686 25.042 -61.6906 16.9008 PRESSAVG: 2964600 -0.359399 4.94235 25.7814 4.94237 -6.08445 -5.55553 25.7813 -5.55562 11.2566 GPRESSAVG: 2964600 0.73532 4.65326 26.1136 7.41663 -6.83663 -4.55509 24.3226 -7.1001 10.3137 TIMING: 2964600 CPU: 8929.38, 0.00302882/step Wall: 8929.38, 0.00302882/step, 1.71246 hours remaining, 209.449219 MB of memory in use. ENERGY: 2964600 742.9133 2106.6173 1939.0683 119.9834 -205989.2868 17732.1588 0.0000 0.0000 34323.5854 -149024.9603 299.7564 -183348.5457 -148931.5954 300.1250 42.2233 76.7578 557542.3934 1.6042 1.4041 PRESSURE: 2964800 300.265 -135.241 -75.1224 -135.241 -11.4244 -17.5065 -75.1226 -17.5069 -262.507 GPRESSURE: 2964800 312.364 -190.814 -85.0743 -117.338 24.3226 3.54732 -61.2181 21.8472 -207.032 PRESSAVG: 2964800 11.0813 -22.8108 30.6752 -22.8108 -31.9511 7.98476 30.6751 7.98473 -20.4968 GPRESSAVG: 2964800 9.86758 -21.8896 30.2947 -24.3773 -31.4794 8.19657 30.648 8.61917 -20.0131 TIMING: 2964800 CPU: 8929.98, 0.00303379/step Wall: 8929.98, 0.00303379/step, 1.7151 hours remaining, 209.449219 MB of memory in use. ENERGY: 2964800 697.2562 2147.5017 1915.3395 120.0117 -205943.7273 17706.0222 0.0000 0.0000 34211.4601 -149146.1359 298.7772 -183357.5961 -149043.6616 299.8627 8.7779 43.2183 556906.4798 -13.7889 -13.8750 PRESSURE: 2965000 436.415 -115.929 40.3768 -115.928 107.93 22.6086 40.3766 22.6096 277.18 GPRESSURE: 2965000 395.906 -125.7 53.8329 -66.2301 156.747 40.6704 -1.19869 15.7021 366.791 PRESSAVG: 2965000 -47.3747 -50.3387 -16.7208 -50.3387 14.5394 56.6189 -16.7208 56.6189 8.22203 GPRESSAVG: 2965000 -48.2946 -51.5515 -16.8943 -49.2043 13.9139 57.3323 -17.6246 53.7575 9.51485 TIMING: 2965000 CPU: 8930.58, 0.00298804/step Wall: 8930.58, 0.00298804/step, 1.68907 hours remaining, 209.449219 MB of memory in use. ENERGY: 2965000 764.7835 2110.4627 1927.1291 112.8849 -206569.9704 18087.0272 0.0000 0.0000 34333.3736 -149234.3095 299.8419 -183567.6831 -149143.8379 299.4318 273.8418 306.4816 556143.4483 -8.2044 -8.2886 PRESSURE: 2965200 -69.2787 -59.8229 49.9209 -59.8237 -149.687 9.78133 49.921 9.78092 67.0784 GPRESSURE: 2965200 1.48609 -111.954 79.8475 -4.26939 -141.195 -10.443 23.7506 77.8318 88.9874 PRESSAVG: 2965200 27.7548 -43.4102 6.07002 -43.4101 -48.3235 9.8706 6.07003 9.87048 6.13745 GPRESSAVG: 2965200 29.6119 -43.9152 4.81962 -44.1249 -49.1114 8.61351 5.90345 11.4295 4.69685 TIMING: 2965200 CPU: 8931.18, 0.00300492/step Wall: 8931.18, 0.00300492/step, 1.69845 hours remaining, 209.449219 MB of memory in use. ENERGY: 2965200 783.1051 2077.2434 1947.5951 111.2693 -206075.3840 17703.9395 0.0000 0.0000 34173.6905 -149278.5413 298.4473 -183452.2318 -149188.6205 298.9605 -50.6290 -16.9071 557948.0064 -4.8104 -4.9342 PRESSURE: 2965400 121.369 29.0972 -179.338 29.0964 -353.817 46.9115 -179.339 46.9106 -115.762 GPRESSURE: 2965400 140.909 32.4649 -182.043 -16.8374 -354.607 15.7002 -199.909 75.3246 -48.1193 PRESSAVG: 2965400 45.6336 0.0104659 -0.631087 0.0104818 -54.3362 0.369226 -0.631086 0.369247 -13.4281 GPRESSAVG: 2965400 43.7694 0.443397 -0.123602 -0.477539 -52.2862 2.20844 0.769321 2.88367 -13.3378 TIMING: 2965400 CPU: 8931.78, 0.00296849/step Wall: 8931.78, 0.00296849/step, 1.67769 hours remaining, 209.449219 MB of memory in use. ENERGY: 2965400 761.8062 2101.6605 1948.1133 112.3171 -206220.6557 17560.2597 0.0000 0.0000 34480.1810 -149256.3178 301.1240 -183736.4989 -149160.5401 298.7374 -116.0701 -87.2726 557315.9550 -7.3769 -7.2848 PRESSURE: 2965600 -315.695 -80.9512 100.554 -80.9506 -56.9245 31.6492 100.554 31.6471 -171.975 GPRESSURE: 2965600 -252.912 -6.44663 129.182 -79.2067 -65.011 46.9395 33.1888 45.3718 -135.764 PRESSAVG: 2965600 28.7631 31.6149 -10.6763 31.6148 -50.1665 17.0689 -10.6763 17.0688 41.5388 GPRESSAVG: 2965600 30.3986 30.0376 -13.4312 31.0143 -51.7998 16.8287 -9.48977 14.7404 41.155 TIMING: 2965600 CPU: 8932.38, 0.00299645/step Wall: 8932.38, 0.00299645/step, 1.69333 hours remaining, 209.449219 MB of memory in use. ENERGY: 2965600 753.5068 2092.6177 1943.9977 99.4063 -205875.4902 17391.5466 0.0000 0.0000 34269.2765 -149325.1386 299.2821 -183594.4151 -149226.4896 299.4734 -181.5317 -151.2289 556363.3764 6.7118 6.5846 PRESSURE: 2965800 -219.986 142.089 -91.7587 142.09 5.82997 202.326 -91.7581 202.324 -171.881 GPRESSURE: 2965800 -149.707 169.758 -86.4169 131.004 1.72658 110.626 -112.539 192.008 -148.524 PRESSAVG: 2965800 4.2891 -2.84614 -4.39914 -2.8461 -20.9641 -4.80862 -4.39917 -4.80877 26.6143 GPRESSAVG: 2965800 2.94752 -2.65312 -0.283124 -1.62036 -19.707 -4.96611 -7.78184 -2.7232 26.7563 TIMING: 2965800 CPU: 8932.97, 0.00296609/step Wall: 8932.97, 0.00296609/step, 1.676 hours remaining, 209.449219 MB of memory in use. ENERGY: 2965800 759.1440 2077.2394 1934.5568 112.0463 -205941.9419 17551.3700 0.0000 0.0000 34248.5894 -149258.9960 299.1014 -183507.5854 -149161.8737 299.2793 -128.6790 -98.8346 557571.8190 3.3131 3.3323 PRESSURE: 2966000 -66.5642 -149.473 -19.3095 -149.474 181.247 -27.4804 -19.3084 -27.4808 63.4893 GPRESSURE: 2966000 7.97604 -221.621 -14.3009 -118.305 199.9 -96.3185 -48.0765 -67.9896 66.8467 PRESSAVG: 2966000 -22.1172 7.74839 -44.4302 7.74841 20.5716 -51.6019 -44.4303 -51.6019 -15.5478 GPRESSAVG: 2966000 -21.7118 7.20187 -47.8798 8.29115 20.116 -52.9245 -43.0749 -53.5101 -15.9291 TIMING: 2966000 CPU: 8933.56, 0.00296994/step Wall: 8933.56, 0.00296994/step, 1.67801 hours remaining, 209.449219 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 727.2030 2046.8832 1947.2393 102.5588 -206443.1196 18038.7384 0.0000 0.0000 34239.2737 -149341.2232 299.0201 -183580.4969 -149251.3187 298.9076 59.3907 91.5743 557688.7365 -5.6978 -5.8417 PRESSURE: 2966200 43.9717 -107.376 111.768 -107.375 85.9007 -94.0136 111.768 -94.013 256.531 GPRESSURE: 2966200 80.9779 -13.5385 94.4613 -86.2387 85.5271 -125.266 113.725 -94.6673 321.122 PRESSAVG: 2966200 -59.4182 26.5817 14.7665 26.5818 -24.734 7.37466 14.7665 7.37472 76.1814 GPRESSAVG: 2966200 -60.3233 29.8609 16.2538 26.268 -24.5209 9.00978 13.5823 5.14008 76.5483 TIMING: 2966200 CPU: 8934.15, 0.00295747/step Wall: 8934.15, 0.00295747/step, 1.6708 hours remaining, 209.449219 MB of memory in use. ENERGY: 2966200 726.8603 2101.5822 1938.3675 109.4221 -206732.7370 18130.7851 0.0000 0.0000 34307.6936 -149418.0262 299.6176 -183725.7198 -149326.6185 299.3010 128.8012 162.5424 557442.0837 -2.6569 -2.7653 PRESSURE: 2966400 25.0565 -76.7351 167.073 -76.7343 119.071 -69.2186 167.074 -69.2186 -65.0474 GPRESSURE: 2966400 110.71 -87.2819 220.759 -82.8295 107.945 -65.8066 82.7196 -56.1933 -41.3504 PRESSAVG: 2966400 -16.2298 25.2789 12.8952 25.2789 26.7362 -41.1293 12.8952 -41.1293 -30.6114 GPRESSAVG: 2966400 -15.3171 23.3802 13.2156 25.0686 24.6145 -41.6645 13.0201 -39.9852 -30.1004 TIMING: 2966400 CPU: 8934.75, 0.00298021/step Wall: 8934.75, 0.00298021/step, 1.68349 hours remaining, 209.449219 MB of memory in use. ENERGY: 2966400 730.8198 2142.1017 1919.6805 101.8103 -206248.2524 17821.7633 0.0000 0.0000 34126.9734 -149405.1033 298.0393 -183532.0767 -149306.0897 298.7846 26.3600 59.1017 557422.2485 -6.7016 -6.9343 PRESSURE: 2966600 166.619 28.6645 -29.7345 28.6652 153.908 -15.7387 -29.7352 -15.7381 159.37 GPRESSURE: 2966600 211.191 -15.5711 -70.9209 35.4125 211.156 12.8839 41.682 -18.5612 146.339 PRESSAVG: 2966600 68.057 26.1664 35.4325 26.1664 29.3603 -47.4245 35.4325 -47.4246 -70.7477 GPRESSAVG: 2966600 66.399 27.3667 33.9236 25.23 31.1694 -49.1575 34.2386 -45.7586 -70.6731 TIMING: 2966600 CPU: 8935.35, 0.00297681/step Wall: 8935.35, 0.00297681/step, 1.6814 hours remaining, 209.449219 MB of memory in use. ENERGY: 2966600 721.0270 2037.2078 1957.9227 122.9416 -206630.6291 18009.1746 0.0000 0.0000 34379.8632 -149402.4922 300.2479 -183782.3554 -149303.8804 299.3054 159.9654 189.5618 555696.8985 8.8899 8.9651 PRESSURE: 2966800 22.3001 -49.8936 -59.0746 -49.894 103.46 39.1826 -59.0735 39.183 35.9541 GPRESSURE: 2966800 75.983 -29.0852 -154.577 -114.684 122.039 -41.1405 -53.0246 40.8221 48.5905 PRESSAVG: 2966800 38.1617 -12.9706 44.5954 -12.9706 91.7908 -14.932 44.5955 -14.9319 -90.1369 GPRESSAVG: 2966800 37.8811 -16.042 46.1053 -8.90948 92.6344 -13.8224 46.7179 -12.3776 -90.8939 TIMING: 2966800 CPU: 8935.94, 0.00296847/step Wall: 8935.94, 0.00296847/step, 1.67653 hours remaining, 209.449219 MB of memory in use. ENERGY: 2966800 757.2925 2100.7050 1917.4382 121.4234 -206347.4458 17902.2862 0.0000 0.0000 34249.0263 -149299.2741 299.1053 -183548.3004 -149207.5345 299.1230 53.9046 82.2042 557662.3827 13.2719 13.2072 PRESSURE: 2967000 75.2038 56.9074 -21.9972 56.9078 -255.16 -10.986 -21.9981 -10.9859 -33.6533 GPRESSURE: 2967000 75.1293 -3.59895 -21.4172 43.999 -148.8 -67.8357 -107.93 49.0613 -45.1225 PRESSAVG: 2967000 97.3364 -3.64967 -28.2019 -3.64962 -7.69227 24.8289 -28.2019 24.8288 -45.7184 GPRESSAVG: 2967000 98.2229 -2.05807 -28.4418 -6.46649 -8.83912 24.5951 -29.2624 24.4194 -46.2673 TIMING: 2967000 CPU: 8936.53, 0.00297507/step Wall: 8936.53, 0.00297507/step, 1.68009 hours remaining, 209.449219 MB of memory in use. ENERGY: 2967000 727.2779 2114.2808 1923.2952 111.0461 -205932.7835 17623.0558 0.0000 0.0000 34044.3148 -149389.5129 297.3175 -183433.8277 -149295.8293 299.5081 -71.2030 -39.5979 556970.8352 14.6419 14.3722 PRESSURE: 2967200 -123.451 -342.783 -2.61545 -342.782 -91.9431 -80.8797 -2.61705 -80.8808 -72.9119 GPRESSURE: 2967200 -108.745 -390.015 -117.224 -325.673 -17.7204 -80.209 170.683 -118.354 -60.5296 PRESSAVG: 2967200 -28.1391 -13.8001 -34.5832 -13.8001 -9.98754 -4.19847 -34.5832 -4.19854 13.7112 GPRESSAVG: 2967200 -30.373 -13.8562 -34.1755 -14.0574 -8.96605 -4.47165 -34.4882 -5.55615 15.1832 TIMING: 2967200 CPU: 8937.13, 0.00298147/step Wall: 8937.13, 0.00298147/step, 1.68354 hours remaining, 209.449219 MB of memory in use. ENERGY: 2967200 709.8526 2097.4108 1955.6150 113.3666 -206166.6096 17665.2214 0.0000 0.0000 34311.7092 -149313.4340 299.6527 -183625.1432 -149210.8654 298.9002 -96.1020 -62.3315 557989.5842 -8.1385 -8.0519 PRESSURE: 2967400 74.7867 -60.8627 -3.55762 -60.8634 -162.962 79.1554 -3.557 79.1546 -166.705 GPRESSURE: 2967400 109.995 -10.735 25.4103 -10.7044 -136.665 85.619 -76.5072 105.23 -127.759 PRESSAVG: 2967400 -11.7966 -29.3216 -58.5415 -29.3216 14.4592 4.21977 -58.5415 4.21971 -11.3069 GPRESSAVG: 2967400 -10.0119 -28.3965 -60.4937 -30.3114 13.9131 4.42705 -57.1364 3.92165 -12.5064 TIMING: 2967400 CPU: 8937.73, 0.00300165/step Wall: 8937.73, 0.00300165/step, 1.69477 hours remaining, 209.449219 MB of memory in use. ENERGY: 2967400 743.4970 2082.1204 1933.4822 135.4868 -206166.9858 17646.4548 0.0000 0.0000 34245.5404 -149380.4041 299.0748 -183625.9445 -149287.5058 299.4015 -84.9600 -51.4763 556992.9211 -2.8814 -2.8684 PRESSURE: 2967600 -59.2044 14.8104 31.433 14.8111 39.219 -5.95735 31.4328 -5.95791 -50.2776 GPRESSURE: 2967600 -23.5096 84.2266 4.66903 -27.0948 86.3715 22.5503 72.6619 -50.9664 -34.3001 PRESSAVG: 2967600 -0.532209 23.5389 -15.6021 23.5389 37.4021 29.0441 -15.6021 29.044 -19.7395 GPRESSAVG: 2967600 0.641834 23.3959 -13.4115 24.6252 36.444 29.0388 -16.7333 29.6444 -19.7668 TIMING: 2967600 CPU: 8938.33, 0.00301079/step Wall: 8938.33, 0.00301079/step, 1.69976 hours remaining, 209.449219 MB of memory in use. ENERGY: 2967600 739.7781 2040.7185 1934.2795 129.7636 -206173.0489 17828.2883 0.0000 0.0000 34240.4180 -149259.8029 299.0301 -183500.2209 -149171.0481 298.4286 -23.4210 9.5206 558983.2077 5.7101 5.7730 PRESSURE: 2967800 -121.301 -81.1302 -198.458 -81.1312 116.404 69.9482 -198.458 69.9479 -70.0382 GPRESSURE: 2967800 -38.2444 -38.2368 -187.986 -84.7808 108.336 69.9395 -158.295 11.5567 -39.8262 PRESSAVG: 2967800 2.1051 10.8649 54.4638 10.8649 39.6833 19.1107 54.4638 19.1107 -37.8718 GPRESSAVG: 2967800 1.67077 10.1193 54.6097 12.383 39.6489 19.0103 53.7896 18.6827 -37.6994 TIMING: 2967800 CPU: 8938.93, 0.00299178/step Wall: 8938.93, 0.00299178/step, 1.68886 hours remaining, 209.449219 MB of memory in use. ENERGY: 2967800 737.9970 2113.9046 1928.7590 108.5044 -206171.7603 17794.9155 0.0000 0.0000 34240.6907 -149246.9890 299.0325 -183487.6798 -149144.3640 299.9650 -24.9784 10.0885 558443.2778 1.3056 1.2068 PRESSURE: 2968000 -191.401 -25.2884 -62.9262 -25.289 -406.568 107.386 -62.9252 107.386 9.12523 GPRESSURE: 2968000 -169.222 -52.2738 -53.4635 -129.661 -348.361 137.361 -46.3138 84.6921 31.2826 PRESSAVG: 2968000 -50.215 -26.3193 -7.86721 -26.3193 -39.7483 17.1449 -7.86716 17.1449 43.2748 GPRESSAVG: 2968000 -50.9967 -26.1696 -6.18384 -26.021 -38.5135 17.9006 -8.11094 17.5181 43.3006 TIMING: 2968000 CPU: 8939.53, 0.00297709/step Wall: 8939.53, 0.00297709/step, 1.6804 hours remaining, 209.449219 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 755.2605 2120.2901 1935.7623 117.7636 -205980.0908 17561.0559 0.0000 0.0000 34218.8231 -149271.1351 298.8415 -183489.9583 -149175.6496 300.3167 -196.2814 -162.1001 557733.7915 -15.5628 -15.4032 PRESSURE: 2968200 -31.2935 -102.059 -99.3749 -102.059 -94.7011 -31.6547 -99.3745 -31.6548 2.87908 GPRESSURE: 2968200 -0.00198993 -54.506 -91.9956 -65.3194 -77.5027 -41.8649 -51.2624 -73.8576 30.9992 PRESSAVG: 2968200 8.4842 -8.04568 -40.0546 -8.04565 -118.668 55.4683 -40.0546 55.4683 89.0827 GPRESSAVG: 2968200 8.32704 -9.42178 -41.7041 -9.3907 -119.399 56.4827 -39.4247 54.6602 89.8517 TIMING: 2968200 CPU: 8940.13, 0.00299645/step Wall: 8940.13, 0.00299645/step, 1.69117 hours remaining, 209.449219 MB of memory in use. ENERGY: 2968200 753.8568 2082.8352 1932.9424 116.1119 -206230.2795 17874.7687 0.0000 0.0000 34036.6082 -149433.1563 297.2502 -183469.7645 -149332.8209 299.3444 -41.0385 -15.5018 558729.1633 -7.0337 -7.0735 LDB: ============= START OF LOAD BALANCING ============== 8943.64 LDB: ============== END OF LOAD BALANCING =============== 8943.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8943.64 LDB: ============= START OF LOAD BALANCING ============== 8943.94 LDB: Largest compute 4794 load 0.026617 is 22.5% of average load 0.118088 LDB: Average compute 0.001718 is 1.5% of average load 0.118088 LDB: TIME 8943.95 LOAD: AVG 0.118088 MAX 0.206069 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.418 MB LDB: TIME 8943.95 LOAD: AVG 0.118088 MAX 0.206069 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.621 MB LDB: TIME 8943.95 LOAD: AVG 0.118088 MAX 0.206069 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.621 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8943.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8943.95 PRESSURE: 2968400 -140.899 -2.52398 47.7318 -2.52464 -232.003 86.555 47.7335 86.5568 -135.754 GPRESSURE: 2968400 -86.1565 10.0421 -4.12075 -15.5689 -193.946 108.167 64.7963 138.958 -135.906 PRESSAVG: 2968400 18.7434 13.2006 -96.3757 13.2007 -30.3042 79.039 -96.3756 79.039 -54.3527 GPRESSAVG: 2968400 20.0058 14.2672 -96.4832 12.7192 -30.1874 79.4816 -96.5486 78.6027 -55.9923 TIMING: 2968400 CPU: 8940.74, 0.00304612/step Wall: 8940.74, 0.00304612/step, 1.71903 hours remaining, 210.027344 MB of memory in use. ENERGY: 2968400 748.9300 2064.9441 1904.1812 108.2489 -206136.7463 17588.6244 0.0000 0.0000 34208.8626 -149512.9550 298.7545 -183721.8176 -149415.0710 298.8648 -169.5521 -138.6694 558115.9769 -21.9712 -22.0580 PRESSURE: 2968600 257.373 -36.0816 54.2802 -36.083 -113.354 -39.7441 54.28 -39.7444 -9.23845 GPRESSURE: 2968600 330.745 -100.42 53.8177 25.64 -112.159 -115.878 36.1231 26.8492 21.3828 PRESSAVG: 2968600 26.6797 -52.671 -73.7114 -52.671 56.0897 -33.7797 -73.7114 -33.7797 -50.1815 GPRESSAVG: 2968600 26.5531 -53.4091 -74.518 -50.7332 55.2651 -35.225 -71.1558 -33.5363 -48.3352 TIMING: 2968600 CPU: 8941.33, 0.00299066/step Wall: 8941.33, 0.00299066/step, 1.68756 hours remaining, 210.488281 MB of memory in use. ENERGY: 2968600 757.4711 2107.1485 1910.4235 136.1077 -206148.8993 17833.8447 0.0000 0.0000 34157.4794 -149246.4243 298.3058 -183403.9038 -149156.7061 299.6773 44.9270 79.9895 556322.4621 10.8626 11.1610 PRESSURE: 2968800 197.678 -107.685 17.2867 -107.686 388.916 65.2057 17.2857 65.2048 186.887 GPRESSURE: 2968800 247.558 -112.922 7.06995 -79.9714 345.327 123.974 -63.8928 12.1957 274.816 PRESSAVG: 2968800 42.0033 -26.2025 -47.5017 -26.2026 -47.4213 34.228 -47.5017 34.228 5.7675 GPRESSAVG: 2968800 41.3044 -23.7829 -47.9148 -28.0251 -46.2259 35.9618 -48.2278 33.7901 5.58416 TIMING: 2968800 CPU: 8941.93, 0.00298707/step Wall: 8941.93, 0.00298707/step, 1.68537 hours remaining, 210.617188 MB of memory in use. ENERGY: 2968800 724.2795 2034.4247 1929.5421 114.9893 -206515.0999 18056.2133 0.0000 0.0000 34244.2128 -149411.4382 299.0632 -183655.6509 -149309.2032 299.2741 257.8270 289.2335 556962.6820 0.1165 0.2209 PRESSURE: 2969000 -7.79155 18.3251 105.309 18.3253 -40.0646 -9.17771 105.309 -9.17911 -76.3665 GPRESSURE: 2969000 27.7021 -83.6984 52.9622 89.7148 -13.6613 -47.9473 72.61 -56.3549 -32.0234 PRESSAVG: 2969000 -7.50798 -37.4816 6.19178 -37.4816 -13.1902 15.9471 6.19177 15.9471 3.82009 GPRESSAVG: 2969000 -6.89987 -41.7085 7.06387 -36.6913 -12.6791 13.9402 5.50762 16.1163 3.38766 TIMING: 2969000 CPU: 8942.53, 0.00296858/step Wall: 8942.53, 0.00296858/step, 1.67477 hours remaining, 210.617188 MB of memory in use. ENERGY: 2969000 734.6452 2112.0293 1920.6999 114.5859 -206137.3467 17581.7480 0.0000 0.0000 34233.1153 -149440.5231 298.9663 -183673.6384 -149343.8281 298.7624 -41.4076 -5.9942 556199.3118 -5.6260 -5.3971 PRESSURE: 2969200 -423.41 -109.351 -115.061 -109.352 -388.299 15.4754 -115.059 15.4749 -226.367 GPRESSURE: 2969200 -373.086 -140.119 -52.4429 -115.19 -369.976 110.88 -133.769 2.59949 -201.641 PRESSAVG: 2969200 -15.4209 -24.1855 2.48184 -24.1856 -19.2581 -4.16588 2.4819 -4.16596 33.1348 GPRESSAVG: 2969200 -14.0033 -21.6514 3.08231 -23.015 -21.145 -3.17541 1.49765 -4.17517 33.3707 TIMING: 2969200 CPU: 8943.12, 0.00298101/step Wall: 8943.12, 0.00298101/step, 1.68162 hours remaining, 210.617188 MB of memory in use. ENERGY: 2969200 777.4991 2067.0787 1916.5559 120.6233 -205856.4569 17328.8217 0.0000 0.0000 34150.7329 -149495.1451 298.2468 -183645.8780 -149394.3139 299.1002 -346.0255 -314.9009 557423.9314 -0.5148 -0.5925 PRESSURE: 2969400 20.6776 162.876 99.2664 162.876 -119.327 40.4567 99.2666 40.4572 233.631 GPRESSURE: 2969400 56.4417 179.098 17.6951 122.123 -90.1974 27.2625 134.57 91.3021 268.192 PRESSAVG: 2969400 22.995 -23.9062 -41.8219 -23.9061 26.2385 -44.5645 -41.8219 -44.5646 -53.5468 GPRESSAVG: 2969400 22.4741 -20.8179 -41.3339 -24.7942 27.5572 -46.1614 -42.7381 -42.8828 -54.6189 TIMING: 2969400 CPU: 8943.72, 0.00301284/step Wall: 8943.72, 0.00301284/step, 1.69941 hours remaining, 210.628906 MB of memory in use. ENERGY: 2969400 770.7478 2057.6977 1941.6543 114.6403 -206547.7796 17902.1456 0.0000 0.0000 34189.3318 -149571.5621 298.5839 -183760.8939 -149475.7630 298.3024 44.9940 78.1455 555626.0907 -1.4378 -1.5292 PRESSURE: 2969600 -175.455 -2.76568 -149.565 -2.76621 -196.478 14.4463 -149.565 14.4459 -47.3219 GPRESSURE: 2969600 -102.404 -51.9596 -147.618 81.9655 -166.994 39.1423 -128.429 12.0497 -47.3808 PRESSAVG: 2969600 84.1578 -27.4486 -2.71355 -27.4485 -49.43 18.2525 -2.7136 18.2526 -18.7371 GPRESSAVG: 2969600 83.2763 -31.1087 -3.75407 -25.8729 -49.0512 19.1514 -2.08226 17.2162 -17.9375 TIMING: 2969600 CPU: 8944.33, 0.00301046/step Wall: 8944.33, 0.00301046/step, 1.6979 hours remaining, 210.628906 MB of memory in use. ENERGY: 2969600 764.4267 2039.0587 1935.4525 112.1377 -206491.3883 17862.7099 0.0000 0.0000 34016.1470 -149761.4557 297.0715 -183777.6027 -149667.3581 297.7645 -139.7515 -105.5929 557914.7456 5.3302 5.4292 PRESSURE: 2969800 -73.8752 -37.9201 150.981 -37.9201 -50.4509 40.9542 150.981 40.9546 -79.2278 GPRESSURE: 2969800 -78.4448 -84.7385 268.919 -2.76245 -16.2881 55.1546 129.8 21.3536 -20.27 PRESSAVG: 2969800 26.3094 -42.7347 35.2793 -42.7347 2.4479 45.207 35.2793 45.207 -55.6977 GPRESSAVG: 2969800 26.3461 -42.3013 37.1842 -44.1812 2.60579 46.034 35.3825 44.427 -56.9888 TIMING: 2969800 CPU: 8944.92, 0.00298953/step Wall: 8944.92, 0.00298953/step, 1.68593 hours remaining, 210.628906 MB of memory in use. ENERGY: 2969800 774.2556 2072.7977 1925.0510 100.7431 -206533.3100 17786.6986 0.0000 0.0000 34191.8636 -149681.9005 298.6060 -183873.7640 -149587.4808 298.1035 -67.8513 -38.3343 557239.2086 -8.9801 -9.3456 PRESSURE: 2970000 159.322 -126.043 103.5 -126.043 166.864 -7.52781 103.501 -7.52797 61.7428 GPRESSURE: 2970000 171.28 -72.0693 62.8802 -137.549 219.442 -56.5894 198.498 -6.53478 104.779 PRESSAVG: 2970000 32.2483 -28.8067 3.52054 -28.8066 11.3116 27.154 3.52058 27.1541 -24.7683 GPRESSAVG: 2970000 31.864 -27.907 0.81632 -28.927 11.4561 26.7879 5.18962 27.5775 -24.0119 TIMING: 2970000 CPU: 8945.52, 0.00299563/step Wall: 8945.52, 0.00299563/step, 1.6892 hours remaining, 210.628906 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: 2970000 773.5863 2071.4008 1939.2683 114.1739 -207174.9862 18180.1068 0.0000 0.0000 34518.7481 -149577.7020 301.4608 -184096.4501 -149481.3965 298.6046 129.3094 165.1673 555912.9864 6.2639 6.4360 PRESSURE: 2970200 358.505 118.981 -16.963 118.982 184.743 26.0152 -16.9634 26.015 294.092 GPRESSURE: 2970200 414.723 0.896559 -118.355 116.649 171.277 20.6692 74.1013 81.2204 341.224 PRESSAVG: 2970200 -36.2642 -53.8384 -26.5358 -53.8384 71.4951 -4.04433 -26.5358 -4.04431 -39.1435 GPRESSAVG: 2970200 -34.8339 -53.6105 -23.4765 -54.3437 70.1295 -4.14571 -27.4454 -1.89453 -39.0922 TIMING: 2970200 CPU: 8946.12, 0.0029863/step Wall: 8946.12, 0.0029863/step, 1.68377 hours remaining, 210.628906 MB of memory in use. ENERGY: 2970200 744.3162 2027.4111 1915.0054 111.6210 -206600.8119 18272.8161 0.0000 0.0000 34348.1720 -149181.4703 299.9711 -183529.6422 -149087.3683 298.9857 279.1133 309.0751 557632.5495 -1.3042 -1.2656 PRESSURE: 2970400 20.3845 -31.0219 10.5429 -31.0215 164.358 155.87 10.5434 155.871 -298.672 GPRESSURE: 2970400 32.18 -12.6866 -49.7643 -41.2301 178.829 76.9594 30.563 117.578 -229.281 PRESSAVG: 2970400 10.9556 -47.2389 34.9282 -47.2389 -2.32163 -30.8142 34.9281 -30.8144 6.91063 GPRESSAVG: 2970400 9.22972 -48.2069 33.3953 -47.1444 -1.0353 -32.8814 35.5096 -33.3473 7.13991 TIMING: 2970400 CPU: 8946.72, 0.00298508/step Wall: 8946.72, 0.00298508/step, 1.68292 hours remaining, 210.628906 MB of memory in use. ENERGY: 2970400 805.6747 2027.2532 1938.3622 119.8802 -206337.6396 18048.3816 0.0000 0.0000 34165.6746 -149232.4130 298.3773 -183398.0876 -149132.8738 299.7594 -37.9764 -6.0905 558537.5173 5.1815 5.1114 PRESSURE: 2970600 -204.807 -16.7805 -146.612 -16.7813 -273.958 -40.4396 -146.612 -40.4396 -423.91 GPRESSURE: 2970600 -223.422 10.7855 -152.186 -104.146 -260.495 9.6887 -244.339 -24.1758 -315.965 PRESSAVG: 2970600 10.331 -37.1557 25.7692 -37.1557 39.6756 -5.60744 25.7692 -5.60741 -44.4373 GPRESSAVG: 2970600 11.6563 -34.615 26.5611 -36.8868 38.2173 -4.40743 25.0233 -4.34395 -44.3309 TIMING: 2970600 CPU: 8947.32, 0.00301721/step Wall: 8947.32, 0.00301721/step, 1.70087 hours remaining, 210.628906 MB of memory in use. ENERGY: 2970600 785.0808 2076.5871 1928.4566 121.1728 -205582.8443 17317.0732 0.0000 0.0000 34166.1244 -149188.3493 298.3813 -183354.4738 -149095.2764 299.4141 -300.8918 -266.6274 558360.9426 1.8564 1.8476 PRESSURE: 2970800 19.0406 168.661 -86.005 168.662 -42.6898 7.21353 -86.0045 7.21383 102.182 GPRESSURE: 2970800 19.2758 161.652 -107.239 46.8134 53.8968 -11.8532 -63.2543 31.0057 91.3118 PRESSAVG: 2970800 14.5577 -49.4093 -4.87185 -49.4093 -49.9688 -11.0813 -4.87191 -11.0812 -5.26001 GPRESSAVG: 2970800 14.6486 -50.2299 -4.87732 -50.6617 -48.7122 -10.7273 -6.2158 -11.3245 -6.63406 TIMING: 2970800 CPU: 8947.92, 0.00301202/step Wall: 8947.92, 0.00301202/step, 1.69777 hours remaining, 210.628906 MB of memory in use. ENERGY: 2970800 742.5457 2073.0255 1932.2820 116.1496 -205898.9242 17789.0266 0.0000 0.0000 34216.2505 -149029.6442 298.8190 -183245.8947 -148940.2743 299.6496 26.1775 54.8282 558540.7233 -13.5570 -13.5659 PRESSURE: 2971000 122.062 7.26649 82.695 7.26681 -0.00816039 -37.9394 82.6964 -37.9391 192.746 GPRESSURE: 2971000 175.497 68.8878 68.3874 5.89181 -2.43335 32.0923 111.168 3.19694 242.285 PRESSAVG: 2971000 5.6764 -10.751 10.4975 -10.751 -24.9556 -11.7163 10.4975 -11.7162 14.9343 GPRESSAVG: 2971000 5.5052 -9.7035 9.32065 -9.30914 -26.6942 -10.2512 14.4467 -13.4892 16.7515 TIMING: 2971000 CPU: 8948.52, 0.00297507/step Wall: 8948.52, 0.00297507/step, 1.67678 hours remaining, 210.628906 MB of memory in use. ENERGY: 2971000 745.1221 2116.3524 1958.7370 118.1351 -206229.1057 17979.8352 0.0000 0.0000 34407.0972 -148903.8266 300.4857 -183310.9238 -148808.7283 299.6889 104.9332 138.4497 557833.1472 -1.4483 -1.4792 PRESSURE: 2971200 -326.488 -39.0754 52.683 -39.0761 -189.598 1.78576 52.683 1.7867 -159.079 GPRESSURE: 2971200 -379.993 8.09337 -42.1055 -89.1969 -147.758 41.6203 106.239 -3.82775 -53.0916 PRESSAVG: 2971200 -9.44812 8.74023 61.2769 8.74016 -52.268 -36.8762 61.2769 -36.8761 39.0615 GPRESSAVG: 2971200 -10.6222 5.21168 60.6523 8.99243 -51.0512 -36.086 58.5609 -35.4234 38.6443 TIMING: 2971200 CPU: 8949.12, 0.0030123/step Wall: 8949.12, 0.0030123/step, 1.6976 hours remaining, 210.628906 MB of memory in use. ENERGY: 2971200 745.3516 2070.2473 1949.8011 127.0409 -205610.6301 17419.4444 0.0000 0.0000 34448.7632 -148849.9816 300.8496 -183298.7448 -148747.8857 300.8383 -225.0552 -193.6141 558834.0267 -7.5515 -7.6764 PRESSURE: 2971400 146.798 67.5983 154.68 67.5992 105.322 83.2343 154.682 83.2341 -5.20243 GPRESSURE: 2971400 212.068 96.8335 199.401 78.9275 141.364 76.2303 109.15 65.4183 -8.95184 PRESSAVG: 2971400 7.27963 -68.6445 35.402 -68.6445 -96.4364 -1.61299 35.4019 -1.61288 59.3669 GPRESSAVG: 2971400 7.31747 -67.2514 37.2529 -68.7271 -95.523 -3.73964 36.5455 -1.43551 59.1495 TIMING: 2971400 CPU: 8949.72, 0.00301652/step Wall: 8949.72, 0.00301652/step, 1.69981 hours remaining, 210.628906 MB of memory in use. ENERGY: 2971400 745.8056 2090.8664 1917.1033 121.4286 -206133.9696 18063.7271 0.0000 0.0000 34441.8693 -148753.1695 300.7894 -183195.0387 -148655.6567 300.2710 82.3058 114.8265 558609.6317 -9.9300 -9.6853 PRESSURE: 2971600 212.525 -202.125 98.054 -202.123 -138.56 186.928 98.0547 186.927 108.569 GPRESSURE: 2971600 261.671 -212.968 130.288 -203.311 -95.9335 140.569 122.188 238.471 96.8984 PRESSAVG: 2971600 60.8167 -42.8725 56.7184 -42.8725 -37.3365 52.7973 56.7183 52.7971 -18.3069 GPRESSAVG: 2971600 62.1299 -41.9631 56.5843 -46.0475 -38.431 51.1811 54.6587 52.7939 -18.5494 TIMING: 2971600 CPU: 8950.32, 0.00297484/step Wall: 8950.32, 0.00297484/step, 1.67616 hours remaining, 210.628906 MB of memory in use. ENERGY: 2971600 739.6502 2063.3646 1950.6065 106.4617 -205801.6363 17926.5187 0.0000 0.0000 34334.6052 -148680.4294 299.8526 -183015.0346 -148577.5696 300.4713 60.8444 87.5453 558249.3341 1.7244 1.7165 PRESSURE: 2971800 125.143 -92.304 -101.805 -92.3047 338.677 -133.166 -101.805 -133.166 -69.7665 GPRESSURE: 2971800 157.857 -180.998 -166.682 -67.3033 360.961 -164.387 -25.6555 -82.6503 -22.9045 PRESSAVG: 2971800 20.4267 -23.6242 54.9432 -23.6242 -71.6345 36.4405 54.9432 36.4407 25.5755 GPRESSAVG: 2971800 21.1247 -25.5491 53.4748 -19.9002 -72.6604 37.7962 56.3466 38.0352 25.8205 TIMING: 2971800 CPU: 8950.91, 0.00297684/step Wall: 8950.91, 0.00297684/step, 1.67712 hours remaining, 210.628906 MB of memory in use. ENERGY: 2971800 711.1810 2118.1474 1925.5046 126.1269 -205973.3128 17885.1043 0.0000 0.0000 34623.9654 -148583.2832 302.3797 -183207.2486 -148482.8934 300.3380 131.3510 165.3043 558561.1029 -8.5441 -8.5717 PRESSURE: 2972000 156.967 -9.22074 -155.925 -9.22143 -171.658 -14.3015 -155.925 -14.3036 -133.343 GPRESSURE: 2972000 165.988 61.1747 -133.788 -83.0345 -126.38 31.0262 -175.926 -46.7422 -96.104 PRESSAVG: 2972000 -9.8604 -31.8821 -10.752 -31.8821 22.7712 -16.7676 -10.7519 -16.7675 -19.0656 GPRESSAVG: 2972000 -11.4326 -29.6076 -10.0028 -33.9863 24.1069 -16.3877 -12.2989 -18.8231 -18.0629 TIMING: 2972000 CPU: 8951.51, 0.0029744/step Wall: 8951.51, 0.0029744/step, 1.67558 hours remaining, 210.628906 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: 2972000 734.9833 2091.1176 1948.7837 109.3581 -205352.6294 17633.8618 0.0000 0.0000 34233.0056 -148601.5193 298.9654 -182834.5249 -148499.1615 299.9601 -49.3445 -18.8322 560447.8067 -2.0516 -1.7962 PRESSURE: 2972200 -213.704 -97.8311 -116.825 -97.8304 -13.7194 8.46553 -116.825 8.46302 -3.31773 GPRESSURE: 2972200 -160.676 -115.237 -9.43185 -71.248 39.4268 66.0998 -121.462 -69.0433 -6.23023 PRESSAVG: 2972200 22.4987 39.2697 -39.3232 39.2697 -25.7574 3.09221 -39.3233 3.09211 17.8413 GPRESSAVG: 2972200 23.627 37.6154 -39.182 42.3171 -26.2781 3.39144 -37.5478 3.5596 17.6352 TIMING: 2972200 CPU: 8952.11, 0.00298484/step Wall: 8952.11, 0.00298484/step, 1.68129 hours remaining, 210.628906 MB of memory in use. ENERGY: 2972200 750.0630 2046.8440 1940.6215 115.4116 -205883.8771 17815.1198 0.0000 0.0000 34488.1071 -148727.7102 301.1932 -183215.8172 -148632.6600 300.4306 -76.9136 -42.4932 559675.4852 4.8609 4.9947 LDB: ============= START OF LOAD BALANCING ============== 8955.63 LDB: ============== END OF LOAD BALANCING =============== 8955.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8955.63 LDB: ============= START OF LOAD BALANCING ============== 8955.93 LDB: Largest compute 4794 load 0.026181 is 22.2% of average load 0.118074 LDB: Average compute 0.001725 is 1.5% of average load 0.118074 LDB: TIME 8955.93 LOAD: AVG 0.118074 MAX 0.206276 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.383 MB LDB: TIME 8955.93 LOAD: AVG 0.118074 MAX 0.206276 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.383 MB LDB: TIME 8955.93 LOAD: AVG 0.118074 MAX 0.206276 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.383 MB LDB: ============== END OF LOAD BALANCING =============== 8955.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8955.94 PRESSURE: 2972400 90.6664 160.556 -40.0374 160.556 204.76 69.4305 -40.0379 69.4303 -139.009 GPRESSURE: 2972400 87.0666 132.558 13.1516 162.503 250.603 21.3162 -29.2599 30.2903 -83.5824 PRESSAVG: 2972400 -47.2397 -19.9132 -28.067 -19.9133 26.4234 20.0043 -28.0671 20.0045 -27.8593 GPRESSAVG: 2972400 -47.6365 -18.9181 -28.1222 -23.1864 27.0026 19.7083 -26.909 21.1809 -27.9401 TIMING: 2972400 CPU: 8952.72, 0.00307812/step Wall: 8952.72, 0.00307812/step, 1.73366 hours remaining, 210.992188 MB of memory in use. ENERGY: 2972400 716.1342 2049.7986 1933.1450 99.6101 -206014.2201 17797.6055 0.0000 0.0000 34374.2152 -149043.7115 300.1986 -183417.9267 -148942.8518 300.1514 52.1393 84.6958 556583.6585 -16.2252 -16.1913 PRESSURE: 2972600 -273.643 -55.9483 179.609 -55.948 -158.981 30.0147 179.609 30.0152 208.634 GPRESSURE: 2972600 -262.394 19.8251 224.915 -100.427 -88.2221 -8.85189 131.521 14.2122 218.089 PRESSAVG: 2972600 -21.4366 -42.4969 26.3643 -42.4969 41.3001 17.6637 26.3644 17.6637 -16.739 GPRESSAVG: 2972600 -22.5485 -45.2226 25.6344 -40.0388 41.9198 16.6698 23.8674 17.4447 -15.8865 TIMING: 2972600 CPU: 8953.32, 0.0029765/step Wall: 8953.32, 0.0029765/step, 1.67627 hours remaining, 211.195312 MB of memory in use. ENERGY: 2972600 760.1718 2032.6372 1920.3794 110.9865 -205863.3610 17495.7225 0.0000 0.0000 34292.0277 -149251.4360 299.4808 -183543.4636 -149154.9759 299.9458 -74.6631 -44.1758 557267.4725 1.0415 1.1616 PRESSURE: 2972800 -8.38894 -54.5385 80.1971 -54.5375 22.2002 71.1686 80.1958 71.1676 -46.2096 GPRESSURE: 2972800 36.5404 87.152 77.0152 -91.9062 36.8066 15.503 23.9533 118.172 -2.5975 PRESSAVG: 2972800 -6.92336 -44.7682 43.7714 -44.7683 10.6632 29.0898 43.7714 29.0898 -1.37718 GPRESSAVG: 2972800 -5.99257 -42.1969 45.181 -45.818 10.3369 29.3825 45.6128 29.7831 -1.97453 TIMING: 2972800 CPU: 8953.91, 0.00295243/step Wall: 8953.91, 0.00295243/step, 1.66254 hours remaining, 211.195312 MB of memory in use. ENERGY: 2972800 747.4496 2040.0677 1954.4103 102.9972 -206112.7889 17711.5051 0.0000 0.0000 34150.0467 -149406.3124 298.2409 -183556.3590 -149309.7162 298.9647 -10.7995 23.5831 557315.4779 0.7876 0.7899 PRESSURE: 2973000 107.024 99.9968 -78.8749 99.9974 173.092 -120.866 -78.8755 -120.866 -189.212 GPRESSURE: 2973000 134.444 176.444 -58.9371 53.3811 174.475 -93.7413 -70.2356 -154.048 -120.237 PRESSAVG: 2973000 -13.2099 -60.6991 -9.5246 -60.699 54.9057 12.5219 -9.52467 12.5218 -24.2516 GPRESSAVG: 2973000 -13.0773 -60.3756 -11.1768 -62.6161 53.8113 13.8089 -10.4849 9.81699 -24.2063 TIMING: 2973000 CPU: 8954.5, 0.00296988/step Wall: 8954.5, 0.00296988/step, 1.67221 hours remaining, 211.195312 MB of memory in use. ENERGY: 2973000 713.8800 2073.0013 1931.2811 112.0959 -206324.3499 17889.6309 0.0000 0.0000 34253.6019 -149350.8587 299.1452 -183604.4606 -149259.6695 298.9898 30.3012 62.8939 557595.3183 5.8147 5.5092 PRESSURE: 2973200 -291.839 104.042 5.46692 104.042 -93.6201 -132.29 5.46639 -132.289 -182.439 GPRESSURE: 2973200 -243.478 119.162 -70.7255 17.7795 -111.924 -159.108 -30.0602 -139.186 -125.809 PRESSAVG: 2973200 47.3311 -20.9903 -50.5646 -20.9904 29.1198 -30.2945 -50.5646 -30.2945 -129.041 GPRESSAVG: 2973200 46.7709 -20.9028 -51.2083 -20.8841 29.685 -31.7041 -49.9857 -28.8288 -129.234 TIMING: 2973200 CPU: 8955.1, 0.00296885/step Wall: 8955.1, 0.00296885/step, 1.67146 hours remaining, 211.195312 MB of memory in use. ENERGY: 2973200 760.3734 2023.3659 1944.8429 111.7839 -205817.9887 17532.9904 0.0000 0.0000 34122.1670 -149322.4653 297.9974 -183444.6323 -149229.9365 298.6824 -189.2993 -160.4037 558610.0902 -17.5302 -17.5926 PRESSURE: 2973400 -88.1839 33.9508 -107.193 33.9506 -70.6804 110.002 -107.191 110.001 157.249 GPRESSURE: 2973400 -47.8039 -8.43745 -165.642 41.4235 69.9063 26.7926 -101.249 96.2789 78.5692 PRESSAVG: 2973400 -49.2148 -2.83523 -27.7128 -2.83526 70.5242 13.9102 -27.7126 13.9103 -47.2563 GPRESSAVG: 2973400 -49.4392 -3.51229 -26.5322 0.0762334 71.0206 12.814 -28.8149 14.634 -47.3556 TIMING: 2973400 CPU: 8955.69, 0.00297259/step Wall: 8955.69, 0.00297259/step, 1.6734 hours remaining, 211.195312 MB of memory in use. ENERGY: 2973400 704.4130 2043.2014 1938.3451 110.4706 -206599.9915 17987.5843 0.0000 0.0000 34287.7214 -149528.2558 299.4432 -183815.9772 -149433.0283 298.7144 -0.5386 33.5572 557521.3617 -8.6490 -8.5914 PRESSURE: 2973600 -41.9693 -136.951 -70.2573 -136.951 -45.0566 50.6893 -70.2563 50.6903 -151.815 GPRESSURE: 2973600 -5.60757 -110.177 -90.1362 0.36312 -98.8635 107.975 -90.0766 -22.1567 -48.7025 PRESSAVG: 2973600 -9.94235 -16.2232 -39.2742 -16.2231 73.7711 28.1072 -39.2742 28.107 -24.6888 GPRESSAVG: 2973600 -8.17688 -16.3219 -38.9183 -17.4176 72.7431 28.6188 -37.1392 28.0433 -25.6892 TIMING: 2973600 CPU: 8956.29, 0.00301867/step Wall: 8956.29, 0.00301867/step, 1.69917 hours remaining, 211.195312 MB of memory in use. ENERGY: 2973600 741.0637 2124.0464 1919.5517 113.8640 -206361.6289 17745.2598 0.0000 0.0000 34281.2861 -149436.5572 299.3870 -183717.8433 -149334.4043 299.0046 -79.6135 -51.0579 556681.5323 13.0467 12.9590 PRESSURE: 2973800 284.317 -106.147 133.663 -106.148 164.164 37.151 133.665 37.1515 194.935 GPRESSURE: 2973800 320.848 -60.9908 164.19 -43.2166 197.534 -48.273 125.345 3.88699 229.322 PRESSAVG: 2973800 45.3441 -8.86337 -2.08171 -8.86349 -53.6064 -0.858942 -2.08173 -0.858852 -21.9522 GPRESSAVG: 2973800 43.9356 -6.77894 -2.87993 -11.1078 -53.6197 -0.137302 -4.00051 -1.0255 -20.503 TIMING: 2973800 CPU: 8956.9, 0.00302166/step Wall: 8956.9, 0.00302166/step, 1.70069 hours remaining, 211.195312 MB of memory in use. ENERGY: 2973800 735.5815 2082.2940 1938.7035 112.6654 -206778.9764 18180.9539 0.0000 0.0000 34151.2005 -149577.5777 298.2509 -183728.7783 -149483.1166 299.1184 214.4719 249.2348 555869.9439 -10.0715 -10.0624 PRESSURE: 2974000 -145.32 -19.1175 -202.284 -19.1193 184.198 220.587 -202.285 220.585 -91.8293 GPRESSURE: 2974000 -167.954 0.998481 -160.451 51.5675 244.082 306.043 -198.64 96.9777 -34.467 PRESSAVG: 2974000 43.619 -35.2688 11.4226 -35.2688 32.9777 -5.33618 11.4226 -5.33608 -49.8739 GPRESSAVG: 2974000 43.4386 -37.0322 12.6853 -32.2084 33.6733 -4.31135 11.1319 -4.47299 -49.5664 TIMING: 2974000 CPU: 8957.5, 0.00301851/step Wall: 8957.5, 0.00301851/step, 1.69875 hours remaining, 211.195312 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: 2974000 726.2643 2038.8137 1959.4798 117.5762 -206541.4432 17816.8542 0.0000 0.0000 34322.8227 -149559.6323 299.7497 -183882.4550 -149461.7295 298.8492 -17.6504 13.8868 556766.7127 8.9076 9.1818 PRESSURE: 2974200 143.66 111.522 -89.5966 111.521 -77.9322 -43.938 -89.5962 -43.9395 9.08854 GPRESSURE: 2974200 217.664 186.63 -174.948 12.6954 -87.6278 -17.0281 -45.5534 -79.389 30.7206 PRESSAVG: 2974200 31.4956 14.489 -101.46 14.489 -7.78607 41.9196 -101.46 41.9196 11.3051 GPRESSAVG: 2974200 32.644 13.9429 -102.282 13.845 -8.31698 42.3552 -100.253 40.6878 10.6052 TIMING: 2974200 CPU: 8958.1, 0.00299888/step Wall: 8958.1, 0.00299888/step, 1.68753 hours remaining, 211.195312 MB of memory in use. ENERGY: 2974200 719.6306 2118.8935 1947.0597 110.9667 -206771.1112 17944.1096 0.0000 0.0000 34402.7005 -149527.7505 300.4473 -183930.4510 -149429.1341 298.5931 24.9389 53.5855 555951.8215 11.6715 11.6441 PRESSURE: 2974400 -65.8035 134.581 196.758 134.58 -256.256 54.8814 196.757 54.882 -139.147 GPRESSURE: 2974400 -68.8511 186.877 147.682 102.873 -162.741 20.3668 251.644 114.787 -129.338 PRESSAVG: 2974400 20.6907 18.6143 -52.1184 18.6143 -25.6367 -40.8192 -52.1184 -40.8192 -7.73595 GPRESSAVG: 2974400 19.9751 19.5188 -51.3989 19.6974 -25.8279 -43.1744 -54.763 -39.0207 -7.05077 TIMING: 2974400 CPU: 8958.7, 0.00300724/step Wall: 8958.7, 0.00300724/step, 1.69207 hours remaining, 211.390625 MB of memory in use. ENERGY: 2974400 772.3378 2168.0587 1930.9786 108.8338 -206411.2830 17750.1345 0.0000 0.0000 34259.6164 -149421.3232 299.1978 -183680.9396 -149330.5420 299.4248 -153.7356 -120.3098 558111.6743 -4.2273 -4.3012 PRESSURE: 2974600 47.9588 -89.304 135.777 -89.3038 435.262 -54.2834 135.776 -54.284 170.157 GPRESSURE: 2974600 94.2153 -65.4117 123.308 -30.2205 429.954 -76.0578 117.639 -141.255 234.125 PRESSAVG: 2974600 12.4297 -17.6472 -55.4952 -17.6472 31.1856 -30.0487 -55.4952 -30.0487 -33.9785 GPRESSAVG: 2974600 12.983 -17.1757 -55.4789 -19.2412 31.3883 -28.0772 -54.597 -31.2215 -34.0057 TIMING: 2974600 CPU: 8959.3, 0.00298691/step Wall: 8959.3, 0.00298691/step, 1.68047 hours remaining, 211.390625 MB of memory in use. ENERGY: 2974600 703.6737 2066.7368 1918.7956 112.7517 -206733.0377 18253.8757 0.0000 0.0000 34195.1130 -149482.0911 298.6344 -183677.2041 -149382.6885 299.4874 217.7925 252.7648 556596.8246 3.2123 3.4552 PRESSURE: 2974800 -134.763 -9.23237 -10.795 -9.23295 -49.4544 198.299 -10.7936 198.299 -348.045 GPRESSURE: 2974800 -111.688 -42.2703 -5.12951 46.2371 -31.7057 158.216 -8.26005 215.616 -289.76 PRESSAVG: 2974800 -18.8701 -23.3407 -0.447326 -23.3407 67.6651 23.0555 -0.447372 23.0555 -60.3042 GPRESSAVG: 2974800 -19.0802 -22.8942 -2.61906 -24.276 67.7631 22.6768 1.85856 23.7701 -60.2032 TIMING: 2974800 CPU: 8959.9, 0.00301245/step Wall: 8959.9, 0.00301245/step, 1.69467 hours remaining, 211.390625 MB of memory in use. ENERGY: 2974800 748.7945 2078.6534 1930.0584 115.5517 -206262.3477 17681.6385 0.0000 0.0000 34233.9835 -149473.6678 298.9739 -183707.6513 -149372.0197 298.8334 -177.4206 -144.3846 556461.1017 -3.8364 -3.8401 PRESSURE: 2975000 157.22 36.6175 83.156 36.6177 -191.968 -16.4274 83.1556 -16.4272 -41.2651 GPRESSURE: 2975000 145.264 -20.3259 94.7174 82.749 -119.646 -36.3279 57.3464 13.5057 -10.2366 PRESSAVG: 2975000 65.8118 -45.5467 39.869 -45.5466 5.65905 27.79 39.8692 27.79 -58.049 GPRESSAVG: 2975000 66.3987 -47.4092 40.6877 -44.6027 5.78804 27.9788 38.7259 27.849 -58.8223 TIMING: 2975000 CPU: 8960.49, 0.00295389/step Wall: 8960.49, 0.00295388/step, 1.66156 hours remaining, 211.390625 MB of memory in use. ENERGY: 2975000 715.3690 2116.5507 1921.5712 108.9445 -205979.0452 17602.5160 0.0000 0.0000 34164.1459 -149349.9479 298.3640 -183514.0938 -149257.6759 299.0036 -25.3375 5.1269 557329.7507 4.4739 4.4548 PRESSURE: 2975200 48.0509 -45.4663 79.2945 -45.4661 73.3718 69.1908 79.2925 69.19 -139.362 GPRESSURE: 2975200 48.4262 -21.6967 61.0651 -7.75428 110.038 38.6319 11.1664 -40.8059 -83.2051 PRESSAVG: 2975200 1.8005 -80.2815 27.8748 -80.2815 -18.011 44.1246 27.8749 44.1245 23.5048 GPRESSAVG: 2975200 1.37039 -80.4548 27.3924 -76.9155 -18.3337 44.7468 28.5238 42.7318 24.5358 TIMING: 2975200 CPU: 8961.09, 0.00295774/step Wall: 8961.09, 0.00295774/step, 1.66357 hours remaining, 211.593750 MB of memory in use. ENERGY: 2975200 752.5112 2090.1684 1938.8699 95.5149 -206192.5121 17637.0318 0.0000 0.0000 34184.1562 -149494.2598 298.5387 -183678.4160 -149397.8307 298.6048 -5.9797 25.0863 556099.9667 2.4314 2.5241 PRESSURE: 2975400 15.2429 -89.6976 194.8 -89.6963 -132.659 71.939 194.798 71.9391 -86.312 GPRESSURE: 2975400 31.2437 -57.7167 168.119 -33.7553 -56.4005 23.2799 216.686 128.258 -84.0227 PRESSAVG: 2975400 24.2011 -27.187 -21.6766 -27.1871 -76.4189 13.596 -21.6767 13.596 60.8218 GPRESSAVG: 2975400 25.3506 -25.8118 -20.427 -29.8596 -76.7843 13.5947 -24.1243 13.7776 59.806 TIMING: 2975400 CPU: 8961.68, 0.00297997/step Wall: 8961.68, 0.00297997/step, 1.6759 hours remaining, 211.593750 MB of memory in use. ENERGY: 2975400 743.3211 2025.1675 1926.2506 108.5993 -206377.3861 17787.6367 0.0000 0.0000 34094.6845 -149691.7265 297.7574 -183786.4110 -149595.9336 298.1045 -67.9093 -36.3932 557221.9115 2.8680 2.7908 PRESSURE: 2975600 -266.077 128.67 -85.2992 128.67 -333.454 129.459 -85.2985 129.46 -32.5469 GPRESSURE: 2975600 -207.591 185.022 -65.7154 39.5517 -252.767 77.7572 -43.3985 168.221 -77.6485 PRESSAVG: 2975600 15.807 38.3926 29.1023 38.3926 22.7027 -20.118 29.1024 -20.1181 -41.3222 GPRESSAVG: 2975600 15.0973 37.3561 27.1159 37.5329 22.9463 -20.5527 30.9184 -19.756 -41.0444 TIMING: 2975600 CPU: 8962.28, 0.00299436/step Wall: 8962.28, 0.00299436/step, 1.68383 hours remaining, 211.593750 MB of memory in use. ENERGY: 2975600 765.7799 2107.0217 1957.7842 119.4521 -206581.9677 17749.3387 0.0000 0.0000 34063.4734 -149819.1177 297.4848 -183882.5911 -149727.5596 297.7657 -210.6927 -179.3355 557792.5384 -0.9375 -1.0002 PRESSURE: 2975800 -23.3131 108.673 -14.266 108.672 389.017 140.181 -14.2674 140.181 80.497 GPRESSURE: 2975800 37.9555 80.0119 54.7267 95.5883 427.146 80.6757 -167.733 77.6855 85.6162 PRESSAVG: 2975800 -36.9166 -15.8748 28.7349 -15.8748 30.0607 -9.15643 28.7349 -9.15635 38.7284 GPRESSAVG: 2975800 -36.7429 -16.0852 28.8442 -14.0763 29.8328 -10.785 28.4426 -7.95443 38.7033 TIMING: 2975800 CPU: 8962.88, 0.00299684/step Wall: 8962.88, 0.00299684/step, 1.68505 hours remaining, 211.593750 MB of memory in use. ENERGY: 2975800 746.7891 2084.8136 1928.8489 102.8441 -206731.6625 18034.0114 0.0000 0.0000 34060.4527 -149773.9027 297.4584 -183834.3555 -149681.9957 297.8738 148.7335 183.5727 556607.9399 10.6242 10.5978 PRESSURE: 2976000 73.6256 -50.9068 -53.3135 -50.9065 361.239 -156.069 -53.3124 -156.067 263.734 GPRESSURE: 2976000 120.022 -28.7868 -127.457 -94.2408 379.201 -113.389 9.53843 -134.431 300.657 PRESSAVG: 2976000 -64.0282 0.877367 31.3833 0.87733 18.8562 -62.9204 31.3833 -62.9202 21.4866 GPRESSAVG: 2976000 -64.8411 4.10297 32.6381 -0.134729 18.7677 -63.2674 31.4986 -64.2935 21.6502 TIMING: 2976000 CPU: 8963.48, 0.00298233/step Wall: 8963.48, 0.00298233/step, 1.67673 hours remaining, 211.593750 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: 2976000 713.6040 2037.7417 1937.7633 98.0574 -206492.5924 17991.3052 0.0000 0.0000 34064.6606 -149649.4602 297.4952 -183714.1208 -149552.0849 297.6419 232.8663 266.6269 556831.7250 -7.8951 -8.1410 PRESSURE: 2976200 -107.997 -31.5356 136.559 -31.5344 -148.756 -3.81903 136.559 -3.82006 89.3123 GPRESSURE: 2976200 -121.907 -56.1149 124.481 -56.8042 -83.7454 19.6741 106.32 -2.26764 139.478 PRESSAVG: 2976200 -81.4887 32.0804 -3.13019 32.0804 50.9037 -31.4048 -3.13008 -31.4048 22.0192 GPRESSAVG: 2976200 -81.7169 30.6978 -0.784231 32.3388 50.7821 -28.5867 -4.52064 -33.2649 22.0797 TIMING: 2976200 CPU: 8964.07, 0.00297885/step Wall: 8964.07, 0.00297885/step, 1.67461 hours remaining, 211.593750 MB of memory in use. ENERGY: 2976200 747.3685 2083.2198 1928.9005 112.7836 -206274.4356 17743.0670 0.0000 0.0000 33937.2463 -149721.8500 296.3824 -183659.0962 -149629.0055 297.1448 -55.8139 -22.0579 555984.2093 -2.8552 -2.9517 LDB: ============= START OF LOAD BALANCING ============== 8967.58 LDB: ============== END OF LOAD BALANCING =============== 8967.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8967.58 LDB: ============= START OF LOAD BALANCING ============== 8967.88 LDB: Largest compute 4794 load 0.025826 is 21.9% of average load 0.118058 LDB: Average compute 0.001719 is 1.5% of average load 0.118058 LDB: TIME 8967.89 LOAD: AVG 0.118058 MAX 0.203653 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.789 MB LDB: TIME 8967.89 LOAD: AVG 0.118058 MAX 0.203653 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.789 MB LDB: TIME 8967.89 LOAD: AVG 0.118058 MAX 0.203653 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.789 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8967.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8967.89 PRESSURE: 2976400 -286.837 -43.4982 205.917 -43.4977 -90.1176 77.9677 205.919 77.9683 -51.9713 GPRESSURE: 2976400 -228.436 -94.6311 187.801 -37.8806 -55.7372 119.673 210.527 139.7 -40.4212 PRESSAVG: 2976400 -47.3419 16.8923 15.3334 16.8923 20.1663 49.5017 15.3334 49.5018 29.5752 GPRESSAVG: 2976400 -46.8947 15.4739 14.0118 17.3012 19.8298 48.6222 15.993 49.9311 28.8304 TIMING: 2976400 CPU: 8964.67, 0.00301642/step Wall: 8964.67, 0.00301642/step, 1.69556 hours remaining, 209.199219 MB of memory in use. ENERGY: 2976400 773.9096 2005.9564 1950.7266 131.4751 -206361.2158 17760.8632 0.0000 0.0000 34084.3433 -149653.9416 297.6670 -183738.2850 -149565.3578 297.8642 -142.9753 -108.1981 556468.9126 0.7999 0.5885 PRESSURE: 2976600 -4.53891 -95.567 -15.6649 -95.5677 -72.4005 -22.5154 -15.6647 -22.516 -120.734 GPRESSURE: 2976600 46.7997 -129.733 -18.7576 -94.5956 -11.4297 -46.6286 -50.4767 100.95 -139.704 PRESSAVG: 2976600 -20.2977 -57.6188 38.9819 -57.6188 83.8112 -24.2339 38.9819 -24.234 -21.4947 GPRESSAVG: 2976600 -20.0034 -56.9853 38.5445 -58.8049 84.0502 -25.7912 39.8328 -21.8723 -21.841 TIMING: 2976600 CPU: 8965.26, 0.00294399/step Wall: 8965.26, 0.002944/step, 1.65469 hours remaining, 209.402344 MB of memory in use. ENERGY: 2976600 772.6501 2110.8989 1938.8519 112.5293 -206271.5183 17753.2369 0.0000 0.0000 34128.8544 -149454.4969 298.0558 -183583.3513 -149358.7967 298.2637 -65.8911 -34.7779 556881.3675 14.0062 14.0686 PRESSURE: 2976800 -131.786 152.051 62.6602 152.05 -75.6213 -9.74641 62.6593 -9.74738 -50.9181 GPRESSURE: 2976800 -67.1404 162.781 75.3113 118.508 -37.1705 -15.3066 70.1319 -87.4146 -59.5328 PRESSAVG: 2976800 22.5119 22.6778 22.1823 22.6779 -25.698 -50.2169 22.1824 -50.2169 41.8206 GPRESSAVG: 2976800 21.9122 21.8083 21.2073 24.7919 -25.361 -49.7015 21.7849 -51.4038 41.8941 TIMING: 2976800 CPU: 8965.86, 0.00296508/step Wall: 8965.86, 0.00296508/step, 1.66638 hours remaining, 209.402344 MB of memory in use. ENERGY: 2976800 744.7162 2081.3325 1926.4219 129.8645 -206342.5467 17857.9357 0.0000 0.0000 34197.2194 -149405.0565 298.6528 -183602.2759 -149307.3349 298.8927 -86.1085 -54.6146 556370.7371 12.8782 12.8151 PRESSURE: 2977000 0.426642 106.32 103.468 106.321 113.347 -35.4687 103.468 -35.4688 18.3962 GPRESSURE: 2977000 32.8533 61.1079 98.1359 215.601 115.442 -42.0234 117.688 -22.4208 90.7242 PRESSAVG: 2977000 47.6306 -3.39625 -21.2361 -3.39623 -67.0945 -59.8426 -21.2361 -59.8425 31.1189 GPRESSAVG: 2977000 46.7645 -3.16081 -21.3099 -2.8191 -67.9404 -58.7606 -21.5918 -58.5547 32.8606 TIMING: 2977000 CPU: 8966.45, 0.00299047/step Wall: 8966.45, 0.00299047/step, 1.68048 hours remaining, 209.605469 MB of memory in use. ENERGY: 2977000 718.1766 2074.4488 1937.3302 110.5861 -205963.0845 17587.5301 0.0000 0.0000 34253.3822 -149281.6305 299.1433 -183535.0127 -149186.5292 299.3217 44.0567 79.6731 554882.4024 3.8850 3.8949 PRESSURE: 2977200 -161.867 231.113 -15.951 231.113 85.8751 -34.6236 -15.9499 -34.6243 25.8324 GPRESSURE: 2977200 -155.189 183.083 -27.2612 311.011 116.535 -17.4469 30.9651 -30.6322 88.4883 PRESSAVG: 2977200 -20.7005 55.928 -5.1405 55.9281 -14.6235 -2.74036 -5.1404 -2.7403 27.9475 GPRESSAVG: 2977200 -19.0082 56.2768 -3.35474 54.2669 -14.7089 -3.54502 -6.4958 -4.62837 26.0348 TIMING: 2977200 CPU: 8967.05, 0.00299845/step Wall: 8967.05, 0.00299845/step, 1.6848 hours remaining, 209.605469 MB of memory in use. ENERGY: 2977200 769.1935 2077.4656 1937.1010 104.7562 -206377.8085 17716.2502 0.0000 0.0000 34232.7952 -149540.2468 298.9635 -183773.0420 -149437.4852 299.1221 -16.7200 16.6114 555807.6540 -2.4588 -2.5608 PRESSURE: 2977400 75.2025 -43.4466 -110.144 -43.4464 -29.2618 212.158 -110.143 212.158 -60.5249 GPRESSURE: 2977400 103.514 -147.465 -78.9604 -86.8261 41.3986 234.859 -65.9877 220.744 -72.4167 PRESSAVG: 2977400 19.8804 54.5509 -61.628 54.551 11.9126 -25.7727 -61.6281 -25.7728 -41.4614 GPRESSAVG: 2977400 18.8473 55.8945 -62.8495 54.0764 13.769 -25.2307 -60.8958 -26.359 -42.5427 TIMING: 2977400 CPU: 8967.66, 0.00300592/step Wall: 8967.66, 0.00300592/step, 1.68883 hours remaining, 209.605469 MB of memory in use. ENERGY: 2977400 743.8818 2102.4298 1934.3138 106.8690 -206472.4368 17909.7132 0.0000 0.0000 34389.3328 -149285.8963 300.3306 -183675.2291 -149187.6872 299.3986 -4.8614 24.1653 556985.6174 -3.2228 -3.3088 PRESSURE: 2977600 -58.048 -18.2307 -63.0002 -18.231 -22.9362 -53.0732 -63.0004 -53.0739 88.8156 GPRESSURE: 2977600 26.2411 -123.169 -121.811 43.51 -0.981008 -80.1046 -72.0823 -17.5301 81.9639 PRESSAVG: 2977600 7.88464 38.8142 -24.1843 38.8141 23.1951 26.2397 -24.1844 26.2396 -1.05358 GPRESSAVG: 2977600 7.44624 37.6133 -24.607 39.5096 21.5947 26.4009 -24.4555 28.0147 0.185324 TIMING: 2977600 CPU: 8968.25, 0.00296781/step Wall: 8968.25, 0.00296781/step, 1.66725 hours remaining, 209.605469 MB of memory in use. ENERGY: 2977600 771.5090 2109.9978 1970.9204 118.4995 -206107.0604 17759.3617 0.0000 0.0000 34010.1047 -149366.6673 297.0187 -183376.7720 -149270.0351 299.3512 2.6104 35.7413 556884.6680 10.0087 9.7421 PRESSURE: 2977800 -121.298 -89.2491 21.1433 -89.2491 -119.763 75.2568 21.1429 75.2567 -296.825 GPRESSURE: 2977800 -122.034 -60.8373 -9.68562 -56.155 -79.2099 75.8377 26.0728 176.77 -232.61 PRESSAVG: 2977800 -22.2809 28.1141 28.1877 28.1141 9.7322 -15.3382 28.1876 -15.3381 -9.47106 GPRESSAVG: 2977800 -21.8446 28.5447 28.3548 27.5972 8.56431 -12.9145 28.3269 -17.1638 -9.17601 TIMING: 2977800 CPU: 8968.85, 0.0029987/step Wall: 8968.85, 0.0029987/step, 1.68443 hours remaining, 209.605469 MB of memory in use. ENERGY: 2977800 770.8503 2127.6181 1922.4901 115.1727 -205989.4177 17620.6872 0.0000 0.0000 34053.6190 -149378.9802 297.3987 -183432.5992 -149285.8343 298.0440 -179.2951 -144.6182 556972.8423 -7.3399 -7.4854 PRESSURE: 2978000 -152.479 -89.3701 -37.8165 -89.3698 -149.962 2.51956 -37.8168 2.51924 -6.50069 GPRESSURE: 2978000 -72.5403 -169.798 7.39493 -34.4357 -110.619 30.3547 -70.0404 -4.11444 -22.9932 PRESSAVG: 2978000 22.8947 -19.604 8.45866 -19.604 23.1501 -3.78523 8.45861 -3.78516 1.30077 GPRESSAVG: 2978000 23.6212 -18.5895 8.47259 -20.9347 23.8475 -4.8556 9.37278 -3.20654 -0.409326 TIMING: 2978000 CPU: 8969.45, 0.00299614/step Wall: 8969.45, 0.00299614/step, 1.68283 hours remaining, 209.605469 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: 2978000 749.7294 2101.2052 1967.8037 101.7137 -206286.0183 17707.6940 0.0000 0.0000 34255.0648 -149402.8077 299.1580 -183657.8724 -149304.0183 298.7678 -102.9807 -68.7176 556528.9756 15.7818 15.6865 PRESSURE: 2978200 140.378 177.637 110.368 177.638 -176.845 26.3193 110.368 26.3187 -136.278 GPRESSURE: 2978200 109.617 123.812 97.1623 158.509 -115.684 -45.7118 180.223 19.3225 -54.1207 PRESSAVG: 2978200 21.6102 38.6171 -11.2858 38.6172 -31.0812 -9.82312 -11.2858 -9.82312 -16.7107 GPRESSAVG: 2978200 20.5 36.6464 -8.52485 40.4898 -30.2393 -11.1576 -12.0673 -10.2456 -16.4552 TIMING: 2978200 CPU: 8970.05, 0.00301146/step Wall: 8970.05, 0.00301146/step, 1.69127 hours remaining, 209.605469 MB of memory in use. ENERGY: 2978200 745.5896 2080.5011 1969.5389 118.1789 -206264.0963 17771.3164 0.0000 0.0000 34345.4853 -149233.4861 299.9477 -183578.9714 -149141.6599 299.3314 -57.5816 -20.0625 556298.9785 -8.7272 -8.7315 PRESSURE: 2978400 130.144 118.636 -56.3435 118.636 370.991 -29.0287 -56.3429 -29.0297 -22.1185 GPRESSURE: 2978400 162.743 46.5469 -107.287 173.337 431.848 -76.6913 -82.5493 -10.8224 -19.4485 PRESSAVG: 2978400 31.0918 44.3009 5.15205 44.3008 0.50189 -38.4075 5.15214 -38.4075 -13.3657 GPRESSAVG: 2978400 31.6772 45.9798 3.91629 43.5884 -0.728572 -39.2069 4.78688 -38.1967 -12.4846 TIMING: 2978400 CPU: 8970.65, 0.00297988/step Wall: 8970.65, 0.00297988/step, 1.67337 hours remaining, 209.605469 MB of memory in use. ENERGY: 2978400 743.8763 2082.7259 1956.1462 127.8044 -206628.1882 18045.5559 0.0000 0.0000 34398.4692 -149273.6103 300.4104 -183672.0795 -149177.5821 300.2528 159.6720 191.7144 555366.0567 6.0760 6.1547 PRESSURE: 2978600 -151.425 104.24 23.6582 104.24 158.069 13.7003 23.659 13.7001 49.9035 GPRESSURE: 2978600 -91.3837 69.2854 54.1935 83.7917 201.241 -43.673 -39.4199 74.8032 47.3682 PRESSAVG: 2978600 -7.49498 17.5987 -45.5478 17.5988 66.1059 34.0619 -45.5479 34.0618 -36.2946 GPRESSAVG: 2978600 -7.3781 15.6619 -45.755 18.4998 66.3827 35.043 -45.1814 34.609 -36.5897 TIMING: 2978600 CPU: 8971.25, 0.0030166/step Wall: 8971.25, 0.0030166/step, 1.69382 hours remaining, 209.605469 MB of memory in use. ENERGY: 2978600 770.7809 2103.1341 1932.7191 113.4932 -206098.2579 17772.2837 0.0000 0.0000 34252.7591 -149153.0877 299.1379 -183405.8468 -149059.8298 299.9402 18.8493 52.4084 555606.7754 7.4388 7.4716 PRESSURE: 2978800 20.5046 -180.377 -138.46 -180.377 -23.4325 -146.033 -138.459 -146.03 53.9654 GPRESSURE: 2978800 87.2535 -254.117 -210.409 -131.511 14.8288 -71.8458 -112.436 -222.095 34.6254 PRESSAVG: 2978800 -24.9561 -3.36597 20.1875 -3.36598 74.5497 -9.82896 20.1875 -9.82897 -72.4516 GPRESSAVG: 2978800 -25.3745 -3.31819 18.1007 -3.47693 74.4416 -8.7537 21.3351 -11.2665 -71.9963 TIMING: 2978800 CPU: 8971.85, 0.00300431/step Wall: 8971.85, 0.00300431/step, 1.68675 hours remaining, 209.605469 MB of memory in use. ENERGY: 2978800 804.2257 2091.8373 1949.4887 130.2164 -206270.2855 17780.8850 0.0000 0.0000 34175.3304 -149338.3020 298.4617 -183513.6324 -149239.3056 299.6392 17.0125 45.5692 555780.8135 -7.6194 -7.6431 PRESSURE: 2979000 219.838 -15.3703 15.6 -15.3701 159.449 5.53645 15.6005 5.53646 -16.6402 GPRESSURE: 2979000 189.614 -21.0047 59.7799 -67.3712 183.301 -18.8331 -24.4381 -93.6205 79.8757 PRESSAVG: 2979000 5.30914 -5.57275 -17.0216 -5.57286 11.8276 -59.5932 -17.0215 -59.5932 -6.71575 GPRESSAVG: 2979000 6.81232 -4.27364 -16.5771 -7.10151 11.357 -60.7134 -18.1803 -59.9387 -7.38661 TIMING: 2979000 CPU: 8972.45, 0.00297754/step Wall: 8972.45, 0.00297754/step, 1.67156 hours remaining, 209.605469 MB of memory in use. ENERGY: 2979000 743.2474 2182.8343 1910.3147 113.8108 -206588.2209 18000.5228 0.0000 0.0000 34323.8380 -149313.6530 299.7586 -183637.4910 -149222.3437 299.1812 120.8820 150.9302 556035.9284 3.4737 3.5942 PRESSURE: 2979200 312.663 -5.46113 80.1528 -5.46196 -168.008 -87.7314 80.1523 -87.7301 -22.2418 GPRESSURE: 2979200 304.842 -17.5119 6.8198 18.4322 -149.299 -83.4313 125.67 -42.9919 50.866 PRESSAVG: 2979200 29.5374 -1.93285 -36.2217 -1.9328 -1.26079 11.822 -36.2217 11.822 -37.6362 GPRESSAVG: 2979200 28.5522 -2.69336 -35.426 0.0486994 -0.89409 11.8537 -36.0712 14.2684 -37.0544 TIMING: 2979200 CPU: 8973.05, 0.00300067/step Wall: 8973.05, 0.00300067/step, 1.68438 hours remaining, 209.605469 MB of memory in use. ENERGY: 2979200 780.9230 2094.8556 1919.6941 106.1219 -206253.1077 17782.8306 0.0000 0.0000 34320.6083 -149248.0742 299.7304 -183568.6825 -149148.4164 299.2371 40.8043 68.8027 556456.1059 -3.1199 -3.1321 PRESSURE: 2979400 26.3184 6.66981 -0.745574 6.66881 -413.621 -10.9988 -0.746039 -10.999 -228.546 GPRESSURE: 2979400 -21.3939 -8.21032 59.0416 101.024 -293.363 -18.5609 -11.3033 -86.3491 -202.941 PRESSAVG: 2979400 21.1605 64.0538 -23.3339 64.0539 -27.7364 -28.2932 -23.3339 -28.2933 20.7665 GPRESSAVG: 2979400 22.0048 63.4407 -23.8328 64.3483 -28.4458 -29.5608 -24.2509 -27.3983 20.7168 TIMING: 2979400 CPU: 8973.64, 0.00297317/step Wall: 8973.64, 0.00297317/step, 1.66878 hours remaining, 209.605469 MB of memory in use. ENERGY: 2979400 761.1699 2147.9416 1936.9329 119.4862 -205801.4567 17425.4120 0.0000 0.0000 34193.9629 -149216.5511 298.6244 -183410.5141 -149121.6424 299.6410 -205.2831 -172.5661 557608.7879 4.7302 4.7586 PRESSURE: 2979600 317.379 -25.0118 16.7677 -25.0114 -54.4865 132.097 16.7682 132.097 -18.4341 GPRESSURE: 2979600 337.821 25.3754 8.18078 -58.6121 -58.1712 156.629 11.3145 139.385 49.0491 PRESSAVG: 2979600 -9.26742 -27.7404 -7.00776 -27.7403 -40.0912 -4.30079 -7.00768 -4.3009 -7.07717 GPRESSAVG: 2979600 -10.7047 -26.1511 -8.35749 -29.683 -39.7518 -2.35342 -4.85159 -4.54477 -6.36226 TIMING: 2979600 CPU: 8974.24, 0.00299832/step Wall: 8974.24, 0.00299832/step, 1.68272 hours remaining, 209.605469 MB of memory in use. ENERGY: 2979600 717.5164 2050.8516 1918.2083 103.8697 -206350.3689 17929.1447 0.0000 0.0000 34261.0001 -149369.7783 299.2098 -183630.7783 -149274.1365 298.3312 81.4862 109.5664 555065.2684 -18.8119 -18.9396 PRESSURE: 2979800 -261.744 -144.189 -9.32348 -144.189 -42.9133 82.9327 -9.32371 82.9326 -237.41 GPRESSURE: 2979800 -209.873 -98.7077 -48.5326 -156.464 -11.5266 59.7971 -2.50771 93.2394 -231.415 PRESSAVG: 2979800 -31.4945 -16.6591 -2.22994 -16.6591 -8.64648 0.287421 -2.22994 0.287437 13.063 GPRESSAVG: 2979800 -30.7902 -18.4122 -0.821304 -16.0204 -8.6059 -0.0385077 -3.38402 -2.52829 11.7403 TIMING: 2979800 CPU: 8974.84, 0.00298412/step Wall: 8974.84, 0.00298412/step, 1.67459 hours remaining, 209.605469 MB of memory in use. ENERGY: 2979800 711.1782 2146.6321 1932.7703 112.4211 -205700.6100 17376.7852 0.0000 0.0000 34064.3192 -149356.5040 297.4922 -183420.8231 -149265.1842 298.2434 -180.6888 -150.9382 555997.9408 -9.0260 -9.2186 PRESSURE: 2980000 25.3339 -45.3967 -25.1616 -45.3975 219.599 -235.712 -25.1608 -235.712 -92.7113 GPRESSURE: 2980000 51.058 -70.146 -37.5509 -70.875 229.971 -204.594 2.34548 -218.563 -29.46 PRESSAVG: 2980000 -14.2376 -66.4718 19.2513 -66.4719 11.7299 26.9408 19.2513 26.9406 -14.6251 GPRESSAVG: 2980000 -15.1451 -68.5829 17.4979 -64.1962 12.3127 27.4885 21.2846 27.8716 -13.9729 TIMING: 2980000 CPU: 8975.43, 0.0029787/step Wall: 8975.43, 0.0029787/step, 1.67138 hours remaining, 209.605469 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: 2980000 751.5606 2084.8583 1926.3628 103.0513 -206430.8839 17845.4781 0.0000 0.0000 34479.4135 -149240.1593 301.1173 -183719.5728 -149140.8101 299.2771 50.7404 83.8564 556238.7789 -5.7109 -5.6018 PRESSURE: 2980200 -43.6516 122.676 13.2751 122.677 -6.39576 -17.7039 13.2749 -17.7049 39.3918 GPRESSURE: 2980200 -33.5451 169.945 39.3919 98.0825 57.8702 -88.2394 -13.3888 67.2572 60.7484 PRESSAVG: 2980200 37.2117 -17.5629 23.6963 -17.5629 -36.855 27.8679 23.6963 27.868 -24.7614 GPRESSAVG: 2980200 38.5605 -12.6334 24.6786 -19.5305 -36.5722 27.2587 21.349 27.6133 -26.0787 TIMING: 2980200 CPU: 8976.03, 0.00298661/step Wall: 8976.03, 0.00298661/step, 1.67565 hours remaining, 209.605469 MB of memory in use. ENERGY: 2980200 725.1929 2122.1114 1925.3773 94.7031 -206084.7045 17627.8078 0.0000 0.0000 34143.9894 -149445.5225 298.1880 -183589.5119 -149348.2860 299.6655 -3.5519 28.3578 556919.8978 -8.1349 -8.0301 LDB: ============= START OF LOAD BALANCING ============== 8979.55 LDB: ============== END OF LOAD BALANCING =============== 8979.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8979.55 LDB: ============= START OF LOAD BALANCING ============== 8979.85 LDB: Largest compute 4794 load 0.026072 is 22.1% of average load 0.118059 LDB: Average compute 0.001715 is 1.5% of average load 0.118059 LDB: TIME 8979.85 LOAD: AVG 0.118059 MAX 0.205232 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.555 MB LDB: TIME 8979.85 LOAD: AVG 0.118059 MAX 0.205232 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.762 MB LDB: TIME 8979.85 LOAD: AVG 0.118059 MAX 0.205232 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.762 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8979.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8979.85 PRESSURE: 2980400 254.318 -121.066 67.9861 -121.066 38.175 -2.34584 67.9874 -2.3459 427.185 GPRESSURE: 2980400 286.14 -170.833 156.945 4.78061 88.6383 -45.6323 22.3049 15.4677 443.032 PRESSAVG: 2980400 36.3126 9.43098 -37.273 9.43098 -4.9549 36.6475 -37.273 36.6476 12.4197 GPRESSAVG: 2980400 35.7292 5.36313 -35.6049 11.5468 -6.17594 35.2514 -38.6882 36.4734 13.8335 TIMING: 2980400 CPU: 8976.64, 0.00303763/step Wall: 8976.64, 0.00303763/step, 1.70411 hours remaining, 209.972656 MB of memory in use. ENERGY: 2980400 696.4210 2095.4883 1933.1889 112.8487 -206588.3123 17965.3587 0.0000 0.0000 34329.7069 -149455.2998 299.8099 -183785.0066 -149360.7823 299.1502 239.8927 272.6036 554875.3673 14.5925 14.4623 PRESSURE: 2980600 161.23 7.94407 -25.1893 7.94442 -150.672 74.6938 -25.1897 74.6928 101.825 GPRESSURE: 2980600 187.975 54.4805 2.79771 62.2183 -141.178 105.395 -28.2381 47.5108 184.073 PRESSAVG: 2980600 21.9468 -3.6463 0.413939 -3.64629 -39.7339 30.6691 0.41399 30.6692 5.59294 GPRESSAVG: 2980600 21.463 -2.45264 -0.42429 -3.98869 -38.1824 32.185 2.42725 31.9996 4.83144 TIMING: 2980600 CPU: 8977.23, 0.00296822/step Wall: 8977.23, 0.00296822/step, 1.66501 hours remaining, 210.039062 MB of memory in use. ENERGY: 2980600 709.5130 2099.7207 1913.9316 117.3230 -206573.4413 17870.2855 0.0000 0.0000 34264.5483 -149598.1192 299.2408 -183862.6675 -149505.4900 298.9935 37.4610 76.9570 556791.2895 -4.0647 -3.9626 PRESSURE: 2980800 -17.4534 -115.893 -31.1465 -115.893 -71.8467 35.4635 -31.1484 35.464 -38.1961 GPRESSURE: 2980800 -12.3729 -25.9241 -18.3182 -134.46 -29.6226 -38.821 3.85758 122.912 5.77441 PRESSAVG: 2980800 -9.89745 -32.8485 -28.2723 -32.8485 6.34189 -1.53591 -28.2723 -1.53581 -15.8396 GPRESSAVG: 2980800 -10.4887 -30.2472 -29.1854 -34.7162 6.80424 -3.31822 -27.6344 -2.02928 -15.533 TIMING: 2980800 CPU: 8977.83, 0.00299268/step Wall: 8977.83, 0.00299268/step, 1.67856 hours remaining, 210.039062 MB of memory in use. ENERGY: 2980800 762.8795 2046.7216 1943.3340 124.5008 -206189.3033 17771.8843 0.0000 0.0000 33931.7649 -149608.2182 296.3345 -183539.9832 -149510.6465 298.3572 -42.4987 -12.0737 557054.4428 -6.4650 -6.4058 PRESSURE: 2981000 -162.651 99.673 123.652 99.6725 -193.724 -36.0132 123.652 -36.0124 -202.374 GPRESSURE: 2981000 -62.5581 65.0865 159.643 75.4874 -166.639 -103.949 95.9375 61.5599 -228.656 PRESSAVG: 2981000 27.0303 9.64957 10.4664 9.6496 -27.3618 -55.3844 10.4664 -55.3844 17.8013 GPRESSAVG: 2981000 27.5624 7.89099 12.1651 10.8726 -27.6779 -53.4163 10.3887 -57.0011 17.5727 TIMING: 2981000 CPU: 8978.43, 0.00298878/step Wall: 8978.43, 0.00298878/step, 1.67621 hours remaining, 210.039062 MB of memory in use. ENERGY: 2981000 765.0379 2029.4298 1963.0476 103.9134 -206399.7580 17751.2002 0.0000 0.0000 34237.4868 -149549.6422 299.0045 -183787.1291 -149457.7913 298.1141 -186.2494 -152.6175 557398.8683 5.8233 5.8191 PRESSURE: 2981200 70.4269 -38.0741 -126.067 -38.0731 -33.6601 -168.363 -126.066 -168.362 -78.8643 GPRESSURE: 2981200 57.9745 -31.1733 -113.49 11.127 -23.6199 -72.7573 -108.94 -151.82 17.0848 PRESSAVG: 2981200 43.0138 1.18408 -23.7269 1.18417 -48.7974 -71.4691 -23.7269 -71.469 19.6479 GPRESSAVG: 2981200 44.2179 0.542825 -24.155 3.22415 -50.1607 -70.8651 -22.7861 -69.452 20.0582 TIMING: 2981200 CPU: 8979.03, 0.00298579/step Wall: 8979.03, 0.00298579/step, 1.67437 hours remaining, 210.039062 MB of memory in use. ENERGY: 2981200 744.5991 2067.3007 1934.7289 115.2670 -206409.0879 17879.6255 0.0000 0.0000 34085.3271 -149582.2395 297.6756 -183667.5666 -149490.9370 298.4904 -14.0325 17.1465 556639.4640 4.6214 4.7051 PRESSURE: 2981400 87.4441 -95.3515 3.24172 -95.3511 -102.205 -72.5058 3.24093 -72.5056 -66.2854 GPRESSURE: 2981400 127.716 -85.7077 -16.8178 -165.933 -81.4415 -63.4143 -4.5923 -71.1281 -31.4234 PRESSAVG: 2981400 45.7157 -13.5599 -21.7368 -13.56 -48.6217 -15.9173 -21.7369 -15.9173 -63.5571 GPRESSAVG: 2981400 45.5754 -10.1626 -23.6048 -17.2006 -48.6948 -17.0249 -22.7994 -16.4463 -63.5031 TIMING: 2981400 CPU: 8979.63, 0.00300517/step Wall: 8979.63, 0.00300517/step, 1.68506 hours remaining, 210.039062 MB of memory in use. ENERGY: 2981400 760.8537 2109.8154 1946.8958 104.0711 -206413.2346 17848.6807 0.0000 0.0000 34135.8230 -149507.0949 298.1166 -183642.9178 -149417.6219 298.5510 -27.0153 4.9503 557943.0278 -22.1544 -22.2075 PRESSURE: 2981600 114.236 -110.725 67.1441 -110.725 312.885 -13.7602 67.144 -13.76 7.80728 GPRESSURE: 2981600 215.577 -93.6545 52.7381 -143.821 262.22 68.1303 58.3651 -46.9794 46.4272 PRESSAVG: 2981600 60.0525 6.27987 6.87641 6.28002 24.9249 11.106 6.87632 11.1059 -100.553 GPRESSAVG: 2981600 59.7603 5.2954 7.49858 6.29372 25.2535 11.0731 5.87836 10.3907 -100.927 TIMING: 2981600 CPU: 8980.22, 0.00297988/step Wall: 8980.22, 0.00297988/step, 1.67072 hours remaining, 210.039062 MB of memory in use. ENERGY: 2981600 712.6659 2122.0030 1940.6579 107.6104 -206907.0847 18166.7553 0.0000 0.0000 34394.7902 -149462.6019 300.3783 -183857.3921 -149356.1061 298.8833 144.9761 174.7413 557129.5016 -5.1918 -5.3045 PRESSURE: 2981800 59.7743 29.8619 85.2925 29.8599 59.9672 -26.582 85.2941 -26.5811 48.8759 GPRESSURE: 2981800 68.9648 23.5626 128.793 -6.0454 129.495 -85.8261 48.231 -49.0219 65.1707 PRESSAVG: 2981800 -6.22641 17.4654 -21.8042 17.4654 -3.90009 -37.6856 -21.8042 -37.6857 -27.6575 GPRESSAVG: 2981800 -6.82814 15.2637 -20.5625 18.5184 -3.35693 -37.6554 -21.3804 -36.8953 -27.4056 TIMING: 2981800 CPU: 8980.81, 0.00296342/step Wall: 8980.81, 0.00296342/step, 1.66133 hours remaining, 210.039062 MB of memory in use. ENERGY: 2981800 746.4580 2073.9244 1945.4911 126.8473 -206730.0202 18047.4762 0.0000 0.0000 34321.3928 -149468.4304 299.7373 -183789.8232 -149375.6092 299.1257 56.2058 87.8769 557216.4709 -12.5947 -12.5302 PRESSURE: 2982000 -41.7466 15.6179 -76.8579 15.6176 -77.9925 80.8175 -76.8587 80.818 6.38936 GPRESSURE: 2982000 25.0599 45.042 -80.1181 -31.2059 -57.3135 -32.821 -5.87563 133.298 19.3875 PRESSAVG: 2982000 -5.59316 3.53289 -41.0339 3.5329 16.6662 -11.4886 -41.0338 -11.4887 9.84625 GPRESSAVG: 2982000 -5.83807 3.39196 -42.1102 5.66451 17.7215 -11.3538 -39.6841 -10.6719 8.89562 TIMING: 2982000 CPU: 8981.41, 0.00298056/step Wall: 8981.41, 0.00298056/step, 1.67077 hours remaining, 210.039062 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: 2982000 756.9850 2058.6384 1943.2010 100.2018 -206037.7634 17809.9395 0.0000 0.0000 33899.8281 -149468.9696 296.0556 -183368.7977 -149370.6618 298.7837 -37.7832 -4.2887 557318.7937 6.9731 6.9263 PRESSURE: 2982200 -202.448 -110.22 -147.906 -110.219 -281.806 202.512 -147.905 202.514 -129.61 GPRESSURE: 2982200 -137.857 -200.688 -77.8165 -60.0419 -270.717 154.665 -182.501 247.02 -119.442 PRESSAVG: 2982200 76.2231 31.9395 -61.1562 31.9394 -84.497 36.2769 -61.1562 36.2769 35.6147 GPRESSAVG: 2982200 77.3315 31.6044 -59.5947 30.7534 -85.6952 33.9404 -62.1522 36.2257 35.4863 TIMING: 2982200 CPU: 8982.01, 0.00301319/step Wall: 8982.01, 0.00301319/step, 1.68889 hours remaining, 210.039062 MB of memory in use. ENERGY: 2982200 757.9630 2056.2370 1914.6866 106.7576 -206155.4946 17514.7353 0.0000 0.0000 34320.8285 -149484.2865 299.7323 -183805.1150 -149379.9377 298.2298 -204.6211 -176.0056 555961.9329 9.1136 9.0409 PRESSURE: 2982400 -103.568 27.2936 9.81261 27.293 7.06401 96.9122 9.81308 96.9115 69.8211 GPRESSURE: 2982400 -68.8008 55.5891 25.5704 14.2547 11.174 33.1568 -99.3749 133.808 133.618 PRESSAVG: 2982400 52.7606 28.6936 -2.01389 28.6937 3.39245 14.1023 -2.01378 14.1022 -41.683 GPRESSAVG: 2982400 51.2406 30.808 -0.794601 28.9244 3.70318 16.7142 -4.03295 13.7941 -40.5544 TIMING: 2982400 CPU: 8982.61, 0.00299504/step Wall: 8982.61, 0.00299504/step, 1.67855 hours remaining, 210.039062 MB of memory in use. ENERGY: 2982400 732.8714 2046.1645 1921.5006 106.6989 -206399.1886 17829.3072 0.0000 0.0000 34272.1702 -149490.4757 299.3074 -183762.6459 -149393.8793 298.8495 -8.8944 25.3303 555757.0821 4.8233 4.7965 PRESSURE: 2982600 -10.3868 60.8913 118.544 60.891 279.112 -41.1146 118.544 -41.1145 202.39 GPRESSURE: 2982600 83.6824 -13.5865 95.9012 47.11 253.201 24.3774 167.52 -39.9651 226.265 PRESSAVG: 2982600 -10.9731 55.6656 6.09496 55.6656 -16.8088 -3.08874 6.09491 -3.08886 15.9032 GPRESSAVG: 2982600 -10.1403 55.7518 4.41658 53.6669 -17.5655 -3.06943 7.76937 -2.95194 15.0435 TIMING: 2982600 CPU: 8983.21, 0.0029995/step Wall: 8983.21, 0.0029995/step, 1.68088 hours remaining, 210.039062 MB of memory in use. ENERGY: 2982600 718.8413 2051.0438 1923.9600 112.6490 -206154.6301 17953.3035 0.0000 0.0000 33942.0151 -149452.8175 296.4241 -183394.8326 -149360.6154 298.4211 157.0382 187.7161 556695.1557 -3.9596 -4.2208 PRESSURE: 2982800 -281.833 -67.3358 94.3975 -67.3352 -136.793 -7.50036 94.3977 -7.4997 108.049 GPRESSURE: 2982800 -195.704 -48.1502 122.226 -59.8197 -135.691 24.1393 105.615 -43.793 114.705 PRESSAVG: 2982800 2.72395 -17.4268 -16.0675 -17.4268 -4.2346 18.6334 -16.0675 18.6333 -21.3708 GPRESSAVG: 2982800 1.88717 -17.9137 -15.4714 -16.8763 -3.95075 19.338 -16.4307 18.7966 -21.5983 TIMING: 2982800 CPU: 8983.82, 0.00302129/step Wall: 8983.82, 0.00302129/step, 1.69293 hours remaining, 210.039062 MB of memory in use. ENERGY: 2982800 771.9286 2050.1722 1934.3494 104.1117 -206261.3419 17706.6232 0.0000 0.0000 34363.2682 -149330.8886 300.1030 -183694.1568 -149240.9627 298.6901 -103.5257 -72.2302 555651.1199 -7.6272 -7.8873 PRESSURE: 2983000 -9.81747 -9.00416 21.9647 -9.00366 -101.593 -43.694 21.9649 -43.6945 -126.994 GPRESSURE: 2983000 24.4602 -7.81062 -20.6331 7.80729 -92.6217 76.5878 75.1598 -33.9616 -71.9686 PRESSAVG: 2983000 14.9879 4.41391 25.3377 4.41394 47.246 -3.80035 25.3377 -3.80028 -14.7878 GPRESSAVG: 2983000 15.7652 3.17587 24.2028 4.44342 46.6213 -2.99497 24.76 -4.65602 -14.8099 TIMING: 2983000 CPU: 8984.41, 0.00297655/step Wall: 8984.41, 0.00297655/step, 1.66769 hours remaining, 210.039062 MB of memory in use. ENERGY: 2983000 717.5216 2035.5732 1946.8197 117.9678 -206080.4402 17566.4755 0.0000 0.0000 34383.1189 -149312.9635 300.2763 -183696.0824 -149212.7883 299.0432 -79.4681 -46.7101 555635.8795 15.8154 15.8589 PRESSURE: 2983200 64.9802 114.834 -129.193 114.833 -141.916 13.5582 -129.194 13.5571 47.4982 GPRESSURE: 2983200 108.511 38.313 -153.673 72.508 -123.341 48.4563 -79.2437 -19.8122 70.0621 PRESSAVG: 2983200 43.1999 -1.55693 0.310927 -1.55696 -32.5282 -34.1357 0.310948 -34.1357 -35.0512 GPRESSAVG: 2983200 42.1283 0.450292 -0.0943675 -2.09059 -32.3804 -36.3697 3.47294 -33.4505 -34.1986 TIMING: 2983200 CPU: 8985, 0.00295333/step Wall: 8985, 0.00295333/step, 1.65452 hours remaining, 210.039062 MB of memory in use. ENERGY: 2983200 715.0503 2087.8802 1923.4283 123.7661 -206054.9521 17832.3016 0.0000 0.0000 34086.8385 -149285.6871 297.6888 -183372.5256 -149188.4329 299.0886 -9.8126 18.4107 556960.0024 -8.1265 -8.1502 PRESSURE: 2983400 -70.3009 99.3209 90.1743 99.3207 -193.756 -151.502 90.1741 -151.501 -201.666 GPRESSURE: 2983400 -60.1077 69.0239 106.007 84.3381 -121.257 -182.683 152.637 -107.374 -200.498 PRESSAVG: 2983400 16.114 -46.5214 55.5563 -46.5214 0.0296301 -3.23667 55.5562 -3.23671 18.8745 GPRESSAVG: 2983400 16.2932 -48.5627 57.4724 -44.6637 0.698392 -2.30785 52.1867 -3.82866 18.147 TIMING: 2983400 CPU: 8985.6, 0.00296567/step Wall: 8985.6, 0.00296567/step, 1.66127 hours remaining, 210.039062 MB of memory in use. ENERGY: 2983400 748.3996 2101.6275 1951.1449 117.0352 -205933.5981 17635.2843 0.0000 0.0000 34210.6257 -149169.4809 298.7699 -183380.1066 -149077.9461 299.1914 -155.2408 -127.2876 558605.4306 11.6727 11.7129 PRESSURE: 2983600 199.378 118.241 117.929 118.241 269.894 -121.907 117.928 -121.907 172.009 GPRESSURE: 2983600 244.333 85.558 204.372 61.0808 275.45 -105.449 111.932 -125.058 217.778 PRESSAVG: 2983600 46.3403 14.0472 -6.00001 14.0472 -24.9158 -31.2508 -6.00006 -31.2508 -54.2221 GPRESSAVG: 2983600 46.5866 13.7369 -7.1074 12.7071 -25.3668 -30.6501 -6.43565 -31.5744 -53.7978 TIMING: 2983600 CPU: 8986.2, 0.00299894/step Wall: 8986.2, 0.00299894/step, 1.67974 hours remaining, 210.039062 MB of memory in use. ENERGY: 2983600 700.1386 2075.9207 1927.6122 107.0442 -206290.2745 18063.1309 0.0000 0.0000 34340.2012 -149076.2267 299.9015 -183416.4279 -148968.9832 299.1786 213.7605 245.8535 556676.5887 -10.9325 -10.8593 PRESSURE: 2983800 -146.093 -91.7761 48.2211 -91.7766 26.0482 17.011 48.2216 17.0098 -234.541 GPRESSURE: 2983800 -68.8118 -98.1295 83.1667 -139.936 -1.95016 -14.4864 52.7275 -18.1277 -192.404 PRESSAVG: 2983800 15.7996 83.1214 28.778 83.1215 72.5051 1.05432 28.778 1.05443 -77.078 GPRESSAVG: 2983800 15.3732 84.7754 30.0147 84.3693 72.8616 -0.285517 31.818 3.82501 -76.7608 TIMING: 2983800 CPU: 8986.79, 0.00299463/step Wall: 8986.79, 0.00299463/step, 1.67716 hours remaining, 210.039062 MB of memory in use. ENERGY: 2983800 723.4613 2074.7848 1944.5293 111.0532 -205465.4060 17430.5693 0.0000 0.0000 34149.5446 -149031.4635 298.2365 -183181.0081 -148936.4417 299.2477 -118.1950 -87.7220 556924.3597 3.7422 3.8247 PRESSURE: 2984000 -230.325 17.5226 -150.862 17.5225 -43.0904 42.1492 -150.862 42.149 -11.0802 GPRESSURE: 2984000 -229.513 15.0057 -87.3965 -44.6674 11.8364 52.0907 -75.6506 27.1837 26.8335 PRESSAVG: 2984000 54.3755 60.1082 -22.167 60.1082 -58.1266 -24.2369 -22.167 -24.2369 -54.3087 GPRESSAVG: 2984000 55.3215 58.0162 -21.8389 59.5926 -58.4165 -24.2717 -23.6006 -26.6405 -54.9242 TIMING: 2984000 CPU: 8987.4, 0.00301781/step Wall: 8987.4, 0.00301781/step, 1.68998 hours remaining, 210.039062 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: 2984000 781.7847 2030.4245 1936.4872 113.2955 -205912.3501 17617.8881 0.0000 0.0000 34332.7970 -149099.6731 299.8369 -183432.4701 -148996.2658 299.4910 -94.8320 -63.6143 557247.2329 -19.3533 -19.3397 PRESSURE: 2984200 104.73 23.3111 -284.513 23.312 137.531 -46.5162 -284.514 -46.5169 212.927 GPRESSURE: 2984200 95.2842 -27.0495 -253.844 23.1369 199.771 -34.4417 -255.448 17.1897 252.718 PRESSAVG: 2984200 84.2291 -6.15348 -37.6282 -6.15349 -28.7878 -29.2521 -37.6282 -29.2521 -13.3026 GPRESSAVG: 2984200 82.7813 -5.5726 -39.0127 -6.49967 -29.3584 -26.9681 -37.9889 -29.5643 -12.1244 TIMING: 2984200 CPU: 8988, 0.00301401/step Wall: 8988, 0.00301401/step, 1.68768 hours remaining, 210.039062 MB of memory in use. ENERGY: 2984200 723.5032 2080.5113 1900.2143 100.6170 -206508.9350 18079.4309 0.0000 0.0000 34597.7897 -149026.8687 302.1511 -183624.6584 -148926.8117 299.7245 151.7290 182.5912 556459.2851 14.0462 13.7662 LDB: ============= START OF LOAD BALANCING ============== 8991.52 LDB: ============== END OF LOAD BALANCING =============== 8991.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8991.52 LDB: ============= START OF LOAD BALANCING ============== 8991.83 LDB: Largest compute 4794 load 0.027459 is 23.2% of average load 0.118127 LDB: Average compute 0.001725 is 1.5% of average load 0.118127 LDB: TIME 8991.83 LOAD: AVG 0.118127 MAX 0.207288 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.543 MB LDB: TIME 8991.83 LOAD: AVG 0.118127 MAX 0.207288 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.746 MB LDB: TIME 8991.83 LOAD: AVG 0.118127 MAX 0.207288 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.746 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8991.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 8991.84 PRESSURE: 2984400 213.185 53.4348 -96.3889 53.4348 53.7088 169.542 -96.388 169.543 155.844 GPRESSURE: 2984400 293.22 85.6031 -106.635 47.4812 40.613 73.0578 -85.0764 187.404 179.758 PRESSAVG: 2984400 -2.29848 33.3821 6.53029 33.3821 52.5979 34.4647 6.53023 34.4647 -11.6629 GPRESSAVG: 2984400 -2.14023 35.1089 5.58916 32.9391 54.4273 34.7886 7.91529 34.429 -14.255 TIMING: 2984400 CPU: 8988.62, 0.00308864/step Wall: 8988.62, 0.00308864/step, 1.7293 hours remaining, 209.132812 MB of memory in use. ENERGY: 2984400 745.9818 2072.4056 1896.9939 101.5070 -205938.9208 17836.1716 0.0000 0.0000 34544.7027 -148741.1581 301.6875 -183285.8609 -148639.8528 300.7172 140.9127 171.1970 557298.2968 12.8788 12.6774 Info: useSync: 0 useProxySync: 0 PRESSURE: 2984600 -65.773 -147.757 -30.0545 -147.755 182.348 20.7707 -30.0526 20.7703 4.43353 GPRESSURE: 2984600 -33.8774 -117.424 -79.5154 -195.989 138.692 91.6544 -3.90349 19.4084 107.703 PRESSAVG: 2984600 -48.0912 17.6937 23.735 17.6936 37.8913 73.4964 23.735 73.4965 24.8101 GPRESSAVG: 2984600 -48.1234 15.9482 23.5268 17.9222 37.5805 71.5734 22.2915 73.8806 26.1136 TIMING: 2984600 CPU: 8989.22, 0.00303152/step Wall: 8989.22, 0.00303152/step, 1.69715 hours remaining, 209.335938 MB of memory in use. ENERGY: 2984600 741.4778 2076.1970 1960.8489 104.9624 -205974.4856 17953.9631 0.0000 0.0000 34409.2695 -148727.7670 300.5047 -183137.0364 -148632.5155 301.1465 40.3363 70.8393 558152.1837 4.8701 5.1902 PRESSURE: 2984800 75.0149 -234.281 -130.369 -234.279 -86.8755 70.4144 -130.369 70.4143 -19.9881 GPRESSURE: 2984800 90.0828 -213.674 -119.158 -285.184 -34.1344 167.352 -245.157 -21.5376 20.8922 PRESSAVG: 2984800 -38.9685 -55.6999 -19.3997 -55.7 4.28166 26.4703 -19.3997 26.4704 -3.1735 GPRESSAVG: 2984800 -39.5934 -54.4141 -17.8228 -55.5509 5.40855 25.1135 -18.8354 28.8052 -4.08401 TIMING: 2984800 CPU: 8989.83, 0.00302852/step Wall: 8989.83, 0.00302852/step, 1.6953 hours remaining, 209.335938 MB of memory in use. ENERGY: 2984800 790.4966 2106.3262 1925.4383 116.4758 -205940.3323 17820.7729 0.0000 0.0000 34461.7104 -148719.1119 300.9627 -183180.8223 -148626.6902 300.0768 -10.6163 25.6135 557815.2547 -12.6201 -12.7563 PRESSURE: 2985000 -205.191 -80.8104 -19.8769 -80.8109 56.6899 103.194 -19.8766 103.193 -203.693 GPRESSURE: 2985000 -139.919 -15.9661 -13.3466 -142.251 91.4516 69.6316 -26.8194 70.8171 -215.412 PRESSAVG: 2985000 22.319 -33.4298 13.4762 -33.4298 36.1321 35.1977 13.4762 35.1977 -35.3016 GPRESSAVG: 2985000 22.2747 -32.1633 11.9299 -34.2334 36.5122 36.9946 13.9267 31.3207 -35.5907 TIMING: 2985000 CPU: 8990.44, 0.00303051/step Wall: 8990.44, 0.00303051/step, 1.69624 hours remaining, 209.335938 MB of memory in use. ENERGY: 2985000 720.5027 2052.2239 1922.4650 117.6318 -205628.7304 17565.0988 0.0000 0.0000 34419.8871 -148830.9211 300.5974 -183250.8083 -148729.8749 300.1765 -117.3982 -87.9597 557582.8482 7.7165 7.7320 PRESSURE: 2985200 9.83777 134.584 -88.1971 134.584 98.5105 28.0957 -88.1967 28.0964 17.0598 GPRESSURE: 2985200 40.1294 162.235 -78.7346 64.3808 102.083 -17.4826 -63.1522 78.4069 79.0357 PRESSAVG: 2985200 20.1455 -7.97991 31.487 -7.97992 32.7507 67.2036 31.487 67.2036 -64.8201 GPRESSAVG: 2985200 20.2141 -9.00791 34.2034 -7.32981 31.7661 66.0051 32.1208 70.2915 -64.0647 TIMING: 2985200 CPU: 8991.04, 0.00302837/step Wall: 8991.04, 0.00302837/step, 1.69488 hours remaining, 209.335938 MB of memory in use. ENERGY: 2985200 743.7786 2072.1250 1942.2536 122.6664 -205710.2663 17888.5160 0.0000 0.0000 34296.5167 -148644.4101 299.5200 -182940.9268 -148553.5474 301.0236 41.8027 73.7495 558121.1268 -3.9746 -4.0282 PRESSURE: 2985400 -115.969 184.89 -43.3315 184.889 -144.319 51.4395 -43.3313 51.4394 -137.403 GPRESSURE: 2985400 -114.221 195.614 -75.1013 155.768 -111.781 89.4067 11.972 37.5125 -76.6548 PRESSAVG: 2985400 26.5813 20.6304 17.8162 20.6303 -17.7954 28.1358 17.8162 28.1357 -3.51006 GPRESSAVG: 2985400 26.875 19.2468 15.4584 21.4789 -18.9342 29.3324 18.7282 26.4172 -3.27954 TIMING: 2985400 CPU: 8991.65, 0.0030218/step Wall: 8991.65, 0.0030218/step, 1.69103 hours remaining, 209.335938 MB of memory in use. ENERGY: 2985400 746.4926 2092.6162 1926.2148 108.7991 -205910.5879 17895.3597 0.0000 0.0000 34310.3654 -148830.7400 299.6410 -183141.1054 -148730.8909 300.2615 -132.5636 -100.8855 559061.0574 1.7586 1.5538 PRESSURE: 2985600 105.891 -70.214 109.901 -70.2136 -11.8715 139.061 109.903 139.061 -164.21 GPRESSURE: 2985600 108.512 26.7953 85.6102 -142.233 54.1363 57.4123 82.2223 91.0979 -146.008 PRESSAVG: 2985600 -45.1686 21.8744 55.0843 21.8744 -5.85084 -33.1184 55.0843 -33.1184 15.8747 GPRESSAVG: 2985600 -46.0022 23.3513 55.7326 21.8416 -3.62547 -33.6772 52.5668 -32.2424 14.1935 TIMING: 2985600 CPU: 8992.26, 0.00304567/step Wall: 8992.26, 0.00304567/step, 1.70422 hours remaining, 209.335938 MB of memory in use. ENERGY: 2985600 716.0801 2119.3472 1915.5207 117.8029 -205953.9893 17601.7948 0.0000 0.0000 34691.9448 -148791.4990 302.9734 -183483.4438 -148694.0984 300.7047 -23.3967 5.5468 556838.3139 -11.7149 -11.8114 PRESSURE: 2985800 -149.308 103.04 128.303 103.041 67.8228 102.323 128.304 102.322 -60.6511 GPRESSURE: 2985800 -113.88 76.5551 115.353 137.657 130.253 98.0423 77.3151 109.516 -59.1566 PRESSAVG: 2985800 71.2658 5.63804 36.7946 5.63796 -35.3464 -55.976 36.7946 -55.9761 -30.3833 GPRESSAVG: 2985800 73.0679 4.88544 37.993 6.31012 -38.1119 -55.1989 37.1372 -55.8225 -29.0813 TIMING: 2985800 CPU: 8992.86, 0.0030081/step Wall: 8992.86, 0.0030081/step, 1.68303 hours remaining, 209.335938 MB of memory in use. ENERGY: 2985800 695.8894 2009.8727 1946.4970 118.9230 -205423.5564 17478.8641 0.0000 0.0000 34412.6735 -148760.8367 300.5344 -183173.5102 -148664.6858 300.4226 -47.3788 -14.2613 558281.3261 1.8454 1.9582 PRESSURE: 2986000 40.8448 -66.4168 183.264 -66.4161 -148.698 111.737 183.263 111.737 -142.624 GPRESSURE: 2986000 76.9221 -45.1042 108.452 -66.922 -113.706 97.2271 195.019 138.038 -106.804 PRESSAVG: 2986000 57.1088 -26.3461 -9.35859 -26.3461 22.4721 -0.120793 -9.35855 -0.120788 -76.3732 GPRESSAVG: 2986000 56.6858 -26.329 -7.7346 -27.6392 24.3853 -1.35531 -9.62267 -1.16773 -77.2995 TIMING: 2986000 CPU: 8993.46, 0.00300699/step Wall: 8993.46, 0.00300699/step, 1.68225 hours remaining, 209.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2986000 688.1903 2093.4461 1936.1382 114.3874 -205753.6302 17682.6897 0.0000 0.0000 34346.8196 -148891.9590 299.9593 -183238.7786 -148793.9028 300.1868 -83.4924 -47.8626 558491.7041 1.0693 1.2572 PRESSURE: 2986200 135.108 -74.792 84.3935 -74.792 23.8643 -97.716 84.3943 -97.7171 80.6704 GPRESSURE: 2986200 152.683 34.6451 -23.432 -74.7254 79.0498 -212.331 117.325 4.18719 92.0051 PRESSAVG: 2986200 49.9634 5.69448 18.7433 5.69446 -3.08392 -18.6949 18.7431 -18.695 -42.6993 GPRESSAVG: 2986200 49.8862 5.33447 17.527 6.46639 -5.11781 -18.9945 17.8869 -17.423 -40.7041 TIMING: 2986200 CPU: 8994.06, 0.00299651/step Wall: 8994.06, 0.00299651/step, 1.67621 hours remaining, 209.335938 MB of memory in use. ENERGY: 2986200 783.9763 2162.3534 1919.9370 117.2414 -206127.9499 17931.1379 0.0000 0.0000 34366.2150 -148847.0888 300.1287 -183213.3038 -148751.4524 300.6514 79.8808 107.9126 556888.5283 1.3934 1.3548 PRESSURE: 2986400 -303.172 -33.104 98.8593 -33.1054 -260.356 -167.252 98.8587 -167.251 -237.437 GPRESSURE: 2986400 -238.168 -4.24972 40.3908 -34.9207 -265.388 -134.219 135.146 -247.547 -192.704 PRESSAVG: 2986400 -40.8225 -8.7169 34.0304 -8.71693 7.31993 27.9748 34.0304 27.9749 -12.795 GPRESSAVG: 2986400 -41.0252 -6.06896 34.3228 -9.48325 9.24365 30.0466 34.5082 25.7219 -14.1569 TIMING: 2986400 CPU: 8994.66, 0.00299845/step Wall: 8994.66, 0.00299845/step, 1.67713 hours remaining, 209.335938 MB of memory in use. ENERGY: 2986400 743.1530 2115.3030 1955.4807 105.2899 -205474.6407 17357.7238 0.0000 0.0000 34523.2535 -148674.4368 301.5002 -183197.6902 -148572.8090 300.0929 -266.9881 -232.0868 558574.7501 -15.4325 -15.3128 PRESSURE: 2986600 -59.4139 -136.2 86.0796 -136.199 257.576 27.7259 86.0792 27.7276 -5.50939 GPRESSURE: 2986600 -22.1905 -132.891 91.8085 -170.527 285.052 -20.1052 142.542 120.318 59.8378 PRESSAVG: 2986600 -23.9029 -54.4455 0.490532 -54.4455 30.4904 100.895 0.49049 100.895 35.8789 GPRESSAVG: 2986600 -24.316 -55.6868 1.30792 -54.8055 30.3296 100.184 0.657983 101.157 36.2053 TIMING: 2986600 CPU: 8995.26, 0.00301311/step Wall: 8995.26, 0.00301311/step, 1.68516 hours remaining, 209.335938 MB of memory in use. ENERGY: 2986600 728.7192 2071.0892 1942.5498 108.4158 -205744.2261 17841.4339 0.0000 0.0000 34323.1829 -148728.8352 299.7529 -183052.0181 -148632.2763 300.6687 64.2174 107.5665 556758.4648 14.1555 14.0730 PRESSURE: 2986800 -170.031 77.5516 -107.311 77.551 60.405 -96.2305 -107.311 -96.2302 -193.288 GPRESSURE: 2986800 -163.221 -1.51799 -164.695 77.4412 80.2155 -22.5192 -139.731 -128.398 -110.554 PRESSAVG: 2986800 -20.2258 -41.5936 11.4759 -41.5936 8.11956 18.8369 11.4759 18.837 48.4217 GPRESSAVG: 2986800 -19.3761 -42.3172 10.7583 -41.77 7.77562 19.4541 12.0775 19.0949 47.451 TIMING: 2986800 CPU: 8995.86, 0.00299297/step Wall: 8995.86, 0.00299297/step, 1.67374 hours remaining, 209.335938 MB of memory in use. ENERGY: 2986800 751.4473 2070.9921 1940.0044 119.0796 -205533.2498 17505.9669 0.0000 0.0000 34327.9737 -148817.7859 299.7947 -183145.7596 -148721.7065 300.4165 -100.9714 -64.5200 557129.4518 12.1051 11.9502 PRESSURE: 2987000 -4.14211 -73.7807 10.0861 -73.7811 -170.609 187.715 10.0862 187.714 25.8096 GPRESSURE: 2987000 58.6715 -21.3163 80.254 -132.415 -210.852 228.418 22.3585 235.998 109.538 PRESSAVG: 2987000 -23.2113 22.4035 38.4152 22.4034 51.8934 -8.2668 38.4151 -8.2669 3.03672 GPRESSAVG: 2987000 -23.232 22.0261 37.2148 24.0963 50.7783 -11.3832 39.3351 -7.59383 3.1819 TIMING: 2987000 CPU: 8996.47, 0.0030345/step Wall: 8996.47, 0.0030345/step, 1.69679 hours remaining, 209.335938 MB of memory in use. ENERGY: 2987000 719.4875 2058.1766 1957.8793 132.0002 -205814.8617 17467.5255 0.0000 0.0000 34483.4010 -148996.3918 301.1521 -183479.7928 -148895.2584 300.6656 -49.6471 -14.2142 555697.6160 10.5729 10.2427 PRESSURE: 2987200 162.266 78.4373 167.15 78.4366 29.728 82.3307 167.151 82.3322 78.6384 GPRESSURE: 2987200 232.851 42.4357 146.432 108.473 39.1064 135.93 187.282 64.2012 96.6366 PRESSAVG: 2987200 3.20939 -7.66892 24.7513 -7.66894 -62.1683 3.47276 24.7513 3.47261 62.3812 GPRESSAVG: 2987200 1.20321 -6.33838 25.226 -9.0721 -60.484 4.02256 24.3245 4.75425 62.8872 TIMING: 2987200 CPU: 8997.07, 0.00301347/step Wall: 8997.07, 0.00301347/step, 1.68487 hours remaining, 209.335938 MB of memory in use. ENERGY: 2987200 745.1813 2025.2488 1943.0534 119.3756 -205921.6822 17800.2728 0.0000 0.0000 34389.9889 -148898.5613 300.3363 -183288.5502 -148805.0193 300.6994 90.2107 122.8648 556169.4481 1.1407 1.2022 PRESSURE: 2987400 -100.626 56.1899 59.8972 56.1902 -27.0663 -87.3103 59.8964 -87.3098 -88.1563 GPRESSURE: 2987400 -50.6868 42.4936 76.8655 35.2408 -6.59763 -132.228 -16.938 -74.7908 -59.9132 PRESSAVG: 2987400 25.6384 -2.91308 21.2621 -2.91306 -47.0835 -24.6646 21.2622 -24.6645 34.2184 GPRESSAVG: 2987400 26.4651 -1.80901 21.374 -3.69809 -48.4948 -24.499 18.496 -25.566 34.9475 TIMING: 2987400 CPU: 8997.67, 0.00298619/step Wall: 8997.67, 0.00298619/step, 1.66945 hours remaining, 209.335938 MB of memory in use. ENERGY: 2987400 776.9552 2112.1899 1939.3306 103.5035 -205768.6222 17687.6197 0.0000 0.0000 34291.3452 -148857.6780 299.4748 -183149.0232 -148772.1796 299.9941 -71.9494 -39.0659 558032.0177 4.2578 4.3059 PRESSURE: 2987600 -110.977 24.1108 19.1916 24.1107 320.622 154.883 19.1913 154.883 -71.9392 GPRESSURE: 2987600 -50.6715 5.0219 -43.02 31.301 299.142 125.885 -33.502 192.914 -17.6817 PRESSAVG: 2987600 24.4736 -2.25848 -1.02599 -2.2584 -76.8593 -58.6725 -1.02598 -58.6726 36.4779 GPRESSAVG: 2987600 24.3459 -3.43257 -1.6658 -2.38696 -76.0259 -57.0501 0.149382 -59.2429 35.8294 TIMING: 2987600 CPU: 8998.26, 0.00295899/step Wall: 8998.26, 0.00295899/step, 1.65408 hours remaining, 209.335938 MB of memory in use. ENERGY: 2987600 719.1753 2084.4094 1923.1639 104.6399 -205781.5403 17766.4652 0.0000 0.0000 34257.8746 -148925.8119 299.1825 -183183.6865 -148832.5117 299.6637 45.9020 76.9297 557931.0282 -5.3026 -5.2835 PRESSURE: 2987800 -65.4707 -95.3381 90.2502 -95.3374 -208.276 -79.5408 90.2497 -79.5403 -2.24989 GPRESSURE: 2987800 -54.3694 -177.113 36.3785 -57.6774 -135.45 -162.289 137.554 -120.018 8.22337 PRESSAVG: 2987800 -73.2131 -5.62393 -17.5034 -5.62389 -12.4363 -9.65965 -17.5035 -9.65956 83.6924 GPRESSAVG: 2987800 -73.1465 -4.83974 -16.2783 -7.67354 -12.5884 -10.074 -15.7443 -8.02101 84.1738 TIMING: 2987800 CPU: 8998.86, 0.00299668/step Wall: 8998.86, 0.00299668/step, 1.67498 hours remaining, 209.335938 MB of memory in use. ENERGY: 2987800 773.3415 2022.2024 1932.5207 115.8971 -205953.3553 17665.0370 0.0000 0.0000 34552.7930 -148891.5635 301.7581 -183444.3565 -148799.2531 299.6367 -91.9987 -60.5319 557767.5282 -0.6523 -0.5204 PRESSURE: 2988000 -238.316 164.746 -82.1039 164.745 -217.204 -70.2821 -82.1043 -70.2825 224.252 GPRESSURE: 2988000 -131.029 123.217 -98.8055 113.574 -187.091 -68.2288 -47.489 -70.505 190.36 PRESSAVG: 2988000 -40.1387 61.1381 -28.8906 61.1381 -9.50469 -68.4164 -28.8907 -68.4165 57.7067 GPRESSAVG: 2988000 -40.9682 57.6166 -29.3684 64.6862 -9.06964 -70.1587 -30.9051 -69.5477 58.1447 TIMING: 2988000 CPU: 8999.46, 0.00301753/step Wall: 8999.46, 0.00301753/step, 1.68646 hours remaining, 209.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2988000 742.3943 2097.0963 1962.2452 111.8231 -205633.7515 17533.7731 0.0000 0.0000 34373.8487 -148812.5709 300.1954 -183186.4196 -148725.2459 300.6706 -77.0894 -42.5863 557412.9340 2.6878 2.7023 PRESSURE: 2988200 -159.417 11.2975 131.534 11.2996 162.909 -101.024 131.534 -101.025 -21.1063 GPRESSURE: 2988200 -97.9167 45.0045 102.524 0.243665 144.463 -9.15854 217.551 -145.929 13.2611 PRESSAVG: 2988200 -1.97119 -12.3727 22.4846 -12.3728 -32.285 -81.4034 22.4847 -81.4034 86.5381 GPRESSAVG: 2988200 -0.799527 -8.62391 23.4721 -14.91 -32.1716 -81.2788 22.8226 -80.6208 85.1079 TIMING: 2988200 CPU: 9000.07, 0.00303194/step Wall: 9000.07, 0.00303194/step, 1.69435 hours remaining, 209.335938 MB of memory in use. ENERGY: 2988200 731.5663 2073.0860 1922.8344 112.8157 -205565.3964 17625.5028 0.0000 0.0000 34183.4062 -148916.1849 298.5322 -183099.5911 -148821.1401 300.1587 -5.8712 19.9358 556828.1555 17.4273 17.3789 LDB: ============= START OF LOAD BALANCING ============== 9003.59 LDB: ============== END OF LOAD BALANCING =============== 9003.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9003.59 LDB: ============= START OF LOAD BALANCING ============== 9003.89 LDB: Largest compute 4794 load 0.026572 is 22.5% of average load 0.118043 LDB: Average compute 0.001729 is 1.5% of average load 0.118043 LDB: TIME 9003.9 LOAD: AVG 0.118043 MAX 0.211822 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 9003.9 LOAD: AVG 0.118043 MAX 0.211822 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.402 MB LDB: TIME 9003.9 LOAD: AVG 0.118043 MAX 0.211822 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.402 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9003.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9003.9 PRESSURE: 2988400 -123.456 0.994172 -94.1555 0.993316 -174.631 -114.822 -94.1561 -114.822 -185.234 GPRESSURE: 2988400 -71.604 41.458 -92.5333 -24.2185 -142.968 7.05249 -97.8255 -129.02 -176.153 PRESSAVG: 2988400 34.7183 -21.2377 4.32633 -21.2377 -40.933 -24.8454 4.32636 -24.8454 12.5756 GPRESSAVG: 2988400 34.6169 -23.0433 3.34021 -20.8439 -40.1691 -22.8364 5.36386 -25.7251 11.635 TIMING: 2988400 CPU: 9000.69, 0.00309262/step Wall: 9000.69, 0.00309262/step, 1.72809 hours remaining, 209.710938 MB of memory in use. ENERGY: 2988400 739.1500 2066.2926 1905.3194 119.0750 -205557.3627 17322.7558 0.0000 0.0000 34380.5148 -149024.2550 300.2536 -183404.7699 -148932.5898 300.0145 -161.1068 -130.2416 557027.8208 2.1203 2.0276 PRESSURE: 2988600 -349.481 0.741276 104.696 0.742263 -59.5299 77.8613 104.697 77.8615 -176.743 GPRESSURE: 2988600 -327.253 40.0149 110.976 39.1884 -40.3598 140.107 180.932 10.3804 -120.411 PRESSAVG: 2988600 51.9432 36.0223 -9.8869 36.0224 44.7407 -52.2936 -9.88701 -52.2935 -89.9241 GPRESSAVG: 2988600 50.5166 35.1485 -9.29362 36.7605 43.6131 -52.8768 -12.4998 -53.2864 -87.7492 TIMING: 2988600 CPU: 9001.29, 0.00300639/step Wall: 9001.29, 0.00300639/step, 1.67974 hours remaining, 209.914062 MB of memory in use. ENERGY: 2988600 719.9012 2092.0028 1917.7661 119.7126 -205642.7512 17375.2570 0.0000 0.0000 34380.0338 -149038.0777 300.2494 -183418.1116 -148939.5073 299.8274 -195.2516 -162.6746 557758.5741 2.2533 2.1268 PRESSURE: 2988800 -82.1952 -169.395 -128.739 -169.395 -25.1972 -44.3116 -128.737 -44.3123 11.0654 GPRESSURE: 2988800 -56.2204 -182.12 -100.382 -137.965 56.7243 4.10375 -130.518 -80.6625 -2.18293 PRESSAVG: 2988800 -45.5519 -9.02301 17.4204 -9.02289 41.4598 -57.5801 17.4204 -57.5801 -10.3022 GPRESSAVG: 2988800 -45.5455 -6.48094 17.752 -10.2945 42.1472 -56.8405 18.1576 -55.6406 -11.1909 TIMING: 2988800 CPU: 9001.9, 0.00305138/step Wall: 9001.9, 0.00305138/step, 1.7047 hours remaining, 209.914062 MB of memory in use. ENERGY: 2988800 722.5758 2083.3370 1926.7526 109.0945 -205691.0636 17667.1163 0.0000 0.0000 34263.1566 -148919.0307 299.2287 -183182.1874 -148819.9574 299.6550 -32.1090 -0.5597 558871.3251 -4.7981 -4.8631 PRESSURE: 2989000 181.702 -183.873 -29.006 -183.873 21.8958 24.5419 -29.0061 24.5429 -131.731 GPRESSURE: 2989000 209.103 -157.702 18.7468 -211.778 82.7397 -61.6196 -20.6882 45.3571 -124.791 PRESSAVG: 2989000 6.88104 6.8109 -42.5142 6.81086 67.8969 32.8047 -42.5142 32.8047 1.47651 GPRESSAVG: 2989000 5.87425 4.04421 -44.3989 11.2609 67.9157 31.5742 -40.1046 33.2323 1.86688 TIMING: 2989000 CPU: 9002.5, 0.0030219/step Wall: 9002.5, 0.0030219/step, 1.68807 hours remaining, 209.914062 MB of memory in use. ENERGY: 2989000 734.9075 2074.5772 1923.0922 101.8030 -205798.5649 17753.5190 0.0000 0.0000 34297.4745 -148913.1915 299.5284 -183210.6660 -148819.4163 300.0599 23.9555 55.6839 557096.3127 25.4182 25.2190 PRESSURE: 2989200 43.0096 -9.87325 -17.1824 -9.87409 4.69927 -18.2306 -17.1814 -18.231 67.837 GPRESSURE: 2989200 122.136 -18.8021 10.5053 -35.9035 -9.88835 32.9839 -37.951 -69.4283 91.3772 PRESSAVG: 2989200 -0.324624 -0.461792 9.72931 -0.461816 -44.472 -26.1815 9.72932 -26.1816 12.2099 GPRESSAVG: 2989200 0.860609 -0.105592 13.1661 -4.54614 -45.1228 -26.1558 6.53216 -27.04 12.2947 TIMING: 2989200 CPU: 9003.1, 0.00301658/step Wall: 9003.1, 0.00301658/step, 1.68493 hours remaining, 209.914062 MB of memory in use. ENERGY: 2989200 802.7994 2077.5029 1948.9114 118.6665 -205905.8028 17863.3738 0.0000 0.0000 34281.2734 -148813.2754 299.3869 -183094.5488 -148716.1315 300.1029 38.5153 67.8748 558114.6526 -10.8622 -10.6558 PRESSURE: 2989400 -99.3411 -46.4561 -5.10419 -46.4551 -69.3592 -148.673 -5.105 -148.673 80.6869 GPRESSURE: 2989400 -4.01384 -54.8939 -61.1343 78.2798 -88.6972 -76.316 -34.9827 -180.091 104.794 PRESSAVG: 2989400 -18.8236 -26.409 35.7984 -26.409 -35.4466 55.3313 35.7984 55.3313 75.5671 GPRESSAVG: 2989400 -18.3628 -25.7309 33.9114 -23.4133 -34.8528 57.4412 36.5632 54.6231 74.7863 TIMING: 2989400 CPU: 9003.71, 0.00301655/step Wall: 9003.71, 0.00301655/step, 1.68475 hours remaining, 209.914062 MB of memory in use. ENERGY: 2989400 717.5603 2092.9441 1956.2873 103.3327 -205711.4128 17802.2935 0.0000 0.0000 34330.0020 -148708.9927 299.8124 -183038.9948 -148611.0326 300.7879 -29.3378 4.0275 559574.8457 7.0990 7.1902 PRESSURE: 2989600 -52.6994 169.104 -24.6332 169.104 41.2015 -55.3144 -24.634 -55.3143 -122.734 GPRESSURE: 2989600 -17.067 177.317 -91.1545 139.045 30.2557 -105.953 -72.389 -20.5707 -52.4165 PRESSAVG: 2989600 -59.7523 -9.03699 28.8202 -9.03695 -88.321 12.1428 28.8201 12.1427 64.6867 GPRESSAVG: 2989600 -59.4404 -7.29738 27.8019 -12.4343 -88.866 10.8237 31.2661 12.7306 64.6946 TIMING: 2989600 CPU: 9004.31, 0.00302866/step Wall: 9004.31, 0.00302866/step, 1.69134 hours remaining, 209.914062 MB of memory in use. ENERGY: 2989600 777.8672 2099.1595 1941.0861 97.2724 -205912.7626 17874.5759 0.0000 0.0000 34346.1022 -148776.6994 299.9531 -183122.8016 -148682.7829 300.3073 -44.7440 -13.0759 559139.4942 -27.7955 -27.8706 PRESSURE: 2989800 -31.0778 2.68763 27.8086 2.68913 -69.1594 -45.1387 27.8084 -45.1411 -82.7042 GPRESSURE: 2989800 1.94511 57.1076 -19.5476 15.793 -43.003 -99.1901 97.5304 -11.5704 -54.3653 PRESSAVG: 2989800 28.6877 32.5093 -11.2551 32.5093 -52.9794 -13.3472 -11.2551 -13.3473 -33.6564 GPRESSAVG: 2989800 28.418 30.0509 -8.29314 33.3468 -53.7342 -15.3732 -13.2224 -12.7397 -32.792 TIMING: 2989800 CPU: 9004.92, 0.00302714/step Wall: 9004.92, 0.00302714/step, 1.69032 hours remaining, 209.914062 MB of memory in use. ENERGY: 2989800 755.9734 2063.8229 1964.1843 118.2704 -205829.1105 17768.6089 0.0000 0.0000 34430.6844 -148727.5662 300.6917 -183158.2506 -148633.9610 300.8657 -60.9805 -31.8077 559036.7455 -19.3160 -19.3694 PRESSURE: 2990000 330.141 54.0236 115.174 54.0233 -48.454 83.6055 115.175 83.6074 -190.453 GPRESSURE: 2990000 322.231 62.9691 92.7488 20.4447 -18.6775 73.0289 101.031 44.8437 -115.907 PRESSAVG: 2990000 50.6781 39.5406 -13.6492 39.5407 -84.2443 -19.1738 -13.6492 -19.1739 13.178 GPRESSAVG: 2990000 50.2372 41.3016 -14.3038 40.0623 -83.8715 -17.5541 -14.3399 -19.7043 12.6186 TIMING: 2990000 CPU: 9005.52, 0.00301991/step Wall: 9005.52, 0.00301991/step, 1.68611 hours remaining, 209.914062 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: 2990000 777.2507 2051.9788 1969.0791 114.2395 -206366.8813 18177.6655 0.0000 0.0000 34553.8319 -148722.8358 301.7672 -183276.6677 -148626.6674 301.0452 30.4114 62.5489 558804.5738 -6.7961 -7.0052 PRESSURE: 2990200 -181.071 72.8877 83.7424 72.8862 93.6686 -95.9384 83.7432 -95.9379 9.50888 GPRESSURE: 2990200 -118.799 58.2797 120.289 111.745 62.6031 -154.615 31.8395 -62.0325 69.7691 PRESSAVG: 2990200 35.1676 29.3279 52.2606 29.3279 -16.4899 5.61027 52.2607 5.61025 -23.3548 GPRESSAVG: 2990200 35.7412 28.6081 51.7828 28.5642 -15.0974 6.78865 52.2477 5.90221 -25.2077 TIMING: 2990200 CPU: 9006.13, 0.00302674/step Wall: 9006.13, 0.00302674/step, 1.68976 hours remaining, 209.914062 MB of memory in use. ENERGY: 2990200 754.5577 2070.9469 1957.6210 106.5551 -205746.8465 17586.1656 0.0000 0.0000 34460.5188 -148810.4813 300.9523 -183271.0002 -148723.2306 300.7772 -25.9644 4.5243 557511.0679 -1.5590 -1.5213 PRESSURE: 2990400 -179.219 -9.14175 -10.6294 -9.14185 -29.0035 71.7956 -10.6288 71.7958 26.4791 GPRESSURE: 2990400 -157.817 25.8676 39.5507 -115.784 -26.2372 154.032 -117.673 -55.4893 101.609 PRESSAVG: 2990400 -22.0768 -30.449 41.3328 -30.4491 0.781081 -11.4176 41.3328 -11.4176 -0.524915 GPRESSAVG: 2990400 -22.1225 -31.3941 40.5766 -30.0602 0.827535 -12.5025 41.6486 -12.2647 -0.343665 TIMING: 2990400 CPU: 9006.73, 0.00300547/step Wall: 9006.73, 0.00300547/step, 1.67772 hours remaining, 209.914062 MB of memory in use. ENERGY: 2990400 750.2843 2105.5820 1929.3081 121.1691 -205921.1320 17686.3593 0.0000 0.0000 34448.2660 -148880.1632 300.8453 -183328.4293 -148774.2573 300.4823 -60.5810 -27.4818 558057.1658 -7.2735 -7.2129 PRESSURE: 2990600 -262.985 -45.9742 -58.4412 -45.9749 -376.421 45.1777 -58.4407 45.1766 -276.895 GPRESSURE: 2990600 -265.556 -38.4526 -45.2921 -117.825 -304.313 82.5169 -79.4755 8.71603 -262.05 PRESSAVG: 2990600 -22.9241 17.5951 25.9808 17.595 7.52409 -19.8819 25.9808 -19.8819 33.6935 GPRESSAVG: 2990600 -22.5768 15.5243 28.6255 18.4792 7.26965 -21.4983 24.5359 -19.5472 33.4484 TIMING: 2990600 CPU: 9007.33, 0.00302/step Wall: 9007.33, 0.00302/step, 1.68566 hours remaining, 209.914062 MB of memory in use. ENERGY: 2990600 753.3443 2059.0367 1926.3121 118.6058 -205552.3914 17324.1444 0.0000 0.0000 34523.8225 -148847.1256 301.5051 -183370.9481 -148744.8813 300.4345 -305.4336 -277.3064 558310.8595 6.0978 6.0471 PRESSURE: 2990800 206.883 -59.4066 82.1849 -59.4068 -24.4995 245.258 82.1849 245.257 115.958 GPRESSURE: 2990800 274.108 -114.403 65.091 -33.7572 -34.9528 201.697 61.1648 271.196 169.723 PRESSAVG: 2990800 19.2485 -44.3643 10.0266 -44.3643 -31.289 -13.3518 10.0267 -13.352 26.7069 GPRESSAVG: 2990800 18.284 -43.2798 7.4835 -44.8509 -30.014 -11.9219 10.4626 -14.3566 26.7068 TIMING: 2990800 CPU: 9007.93, 0.00299606/step Wall: 9007.93, 0.00299606/step, 1.67214 hours remaining, 209.914062 MB of memory in use. ENERGY: 2990800 722.8434 2060.4669 1935.5645 124.1695 -205953.7809 17925.4321 0.0000 0.0000 34295.7015 -148889.6028 299.5129 -183185.3044 -148787.7134 300.2587 99.4472 136.2929 556806.5027 4.8888 4.9923 PRESSURE: 2991000 -152.398 84.7083 81.9343 84.7087 31.6523 -0.826373 81.9342 -0.82581 96.3088 GPRESSURE: 2991000 -76.497 81.7445 69.8443 29.9397 71.9368 0.496295 112.128 -33.6991 78.8498 PRESSAVG: 2991000 -5.03582 -10.827 -17.1814 -10.827 -38.3234 -48.693 -17.1815 -48.693 13.9615 GPRESSAVG: 2991000 -5.03523 -10.8517 -15.4821 -10.7501 -39.5099 -48.8187 -16.6297 -46.9946 14.5452 TIMING: 2991000 CPU: 9008.54, 0.00301251/step Wall: 9008.54, 0.00301251/step, 1.68115 hours remaining, 209.914062 MB of memory in use. ENERGY: 2991000 753.6484 2084.8993 1960.5112 105.9845 -205908.9495 17860.5310 0.0000 0.0000 34402.1363 -148741.2388 300.4424 -183143.3752 -148643.3416 300.2993 -8.1455 24.7632 558118.1899 -9.7992 -10.0000 PRESSURE: 2991200 -148.434 -32.1294 17.1461 -32.1286 -11.0285 -85.7789 17.145 -85.778 -50.1018 GPRESSURE: 2991200 -94.7806 7.46957 -94.6798 -6.07389 18.2535 -81.3862 87.8112 -77.849 -44.6313 PRESSAVG: 2991200 -3.8749 -3.01687 -23.0746 -3.01687 36.7154 -30.3566 -23.0746 -30.3567 -72.7471 GPRESSAVG: 2991200 -3.3661 -4.50656 -23.6526 -3.81348 36.609 -29.3402 -21.3182 -31.6018 -72.8429 TIMING: 2991200 CPU: 9009.14, 0.00302172/step Wall: 9009.14, 0.00302172/step, 1.68612 hours remaining, 209.914062 MB of memory in use. ENERGY: 2991200 802.1677 2036.8974 1946.8573 116.4375 -205769.4343 17518.9929 0.0000 0.0000 34588.6145 -148759.4671 302.0710 -183348.0815 -148657.0685 300.6257 -69.8549 -40.3862 558252.2333 -13.3022 -13.2000 PRESSURE: 2991400 127.275 31.3235 3.88236 31.323 -75.461 -34.8297 3.88194 -34.8306 -37.7159 GPRESSURE: 2991400 183.586 20.702 -16.1334 7.49322 -66.0404 37.7219 -25.894 -54.0907 6.93678 PRESSAVG: 2991400 22.0019 37.826 -46.2788 37.8261 -41.9411 -89.3275 -46.2788 -89.3276 101.359 GPRESSAVG: 2991400 22.0751 40.838 -47.1283 38.1083 -41.4205 -91.0236 -46.6938 -86.7318 101.02 TIMING: 2991400 CPU: 9009.74, 0.003018/step Wall: 9009.74, 0.003018/step, 1.68387 hours remaining, 209.914062 MB of memory in use. ENERGY: 2991400 712.6198 2071.4583 1943.0253 117.7708 -205574.3070 17495.2992 0.0000 0.0000 34382.1712 -148851.9623 300.2681 -183234.1335 -148757.9139 299.8517 4.6993 41.4940 557121.1016 27.1400 27.2249 PRESSURE: 2991600 -237.439 -125.402 60.4188 -125.401 -309.938 -151.67 60.4198 -151.671 -276.746 GPRESSURE: 2991600 -216.823 -71.9836 -10.1151 -118.096 -242.594 -136.591 147.452 -161.775 -266.598 PRESSAVG: 2991600 -47.6096 -23.8801 15.4927 -23.88 4.43478 -78.3793 15.4927 -78.3793 63.7402 GPRESSAVG: 2991600 -48.0853 -23.8838 15.2595 -23.0095 4.3993 -76.716 15.3858 -81.8774 64.385 TIMING: 2991600 CPU: 9010.35, 0.00301767/step Wall: 9010.35, 0.00301767/step, 1.68352 hours remaining, 209.914062 MB of memory in use. ENERGY: 2991600 733.3015 2135.4019 1939.3145 120.6126 -205170.2581 17297.6444 0.0000 0.0000 34272.8667 -148671.1166 299.3135 -182943.9833 -148574.2665 299.7255 -274.7078 -242.0050 559378.7471 6.8551 6.8997 PRESSURE: 2991800 -250.066 -98.3137 108.61 -98.3147 -405.655 -143.21 108.61 -143.21 -180.54 GPRESSURE: 2991800 -216.899 -108.435 151.706 15.8716 -366.336 -126.303 104.562 -144.914 -159.946 PRESSAVG: 2991800 -22.4973 -25.0359 19.6672 -25.0359 -52.2892 -114.445 19.6672 -114.445 63.5351 GPRESSAVG: 2991800 -21.9958 -26.3702 20.1102 -25.2415 -51.427 -117.071 18.0761 -111.407 62.7421 TIMING: 2991800 CPU: 9010.95, 0.00301327/step Wall: 9010.95, 0.00301327/step, 1.6809 hours remaining, 209.914062 MB of memory in use. ENERGY: 2991800 751.4796 2039.0276 1942.7827 98.4972 -205387.1140 17422.2200 0.0000 0.0000 34336.4092 -148796.6977 299.8684 -183133.1069 -148691.2259 300.0378 -278.7536 -247.7268 558444.8980 -3.7505 -3.5602 PRESSURE: 2992000 -65.5676 -100.93 251.543 -100.93 5.5982 34.8002 251.543 34.8017 -119.494 GPRESSURE: 2992000 -62.3404 -110.628 289.827 -137.902 71.0807 -44.1339 151.102 75.6127 -86.1919 PRESSAVG: 2992000 -12.7099 -36.9764 96.3549 -36.9764 5.14352 -22.6005 96.3549 -22.6005 -30.3237 GPRESSAVG: 2992000 -13.0458 -37.8608 97.4064 -37.7197 4.84113 -19.2675 97.2439 -23.4709 -29.8368 TIMING: 2992000 CPU: 9011.55, 0.00301013/step Wall: 9011.55, 0.00301013/step, 1.67899 hours remaining, 209.914062 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: 2992000 767.5838 2149.1861 1941.8880 99.4264 -205966.9679 17674.2263 0.0000 0.0000 34487.8262 -148846.8310 301.1908 -183334.6573 -148757.6583 299.9890 -59.8210 -25.8172 559009.0246 -12.6301 -12.6805 PRESSURE: 2992200 -161.203 -89.9281 -77.488 -89.9271 24.6972 49.7745 -77.4875 49.7757 -218.395 GPRESSURE: 2992200 -196.682 -116.955 -172.299 -66.0183 68.9548 51.6939 57.8015 -2.29103 -133.994 PRESSAVG: 2992200 -47.6759 31.0884 3.95665 31.0885 70.0311 -15.5621 3.95659 -15.562 -37.7185 GPRESSAVG: 2992200 -48.6566 29.9288 2.25025 31.9471 69.9826 -16.6526 5.26435 -17.3243 -37.064 TIMING: 2992200 CPU: 9012.15, 0.00299787/step Wall: 9012.15, 0.00299787/step, 1.67198 hours remaining, 209.914062 MB of memory in use. ENERGY: 2992200 761.1903 2114.1577 1941.6862 110.5023 -205854.8848 17746.2359 0.0000 0.0000 34381.0954 -148800.0170 300.2587 -183181.1124 -148709.2566 299.8813 -118.3003 -87.2406 560111.9069 -5.1211 -5.2460 LDB: ============= START OF LOAD BALANCING ============== 9015.67 LDB: ============== END OF LOAD BALANCING =============== 9015.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9015.67 LDB: ============= START OF LOAD BALANCING ============== 9015.97 LDB: Largest compute 4794 load 0.028457 is 24.1% of average load 0.118146 LDB: Average compute 0.001727 is 1.5% of average load 0.118146 LDB: TIME 9015.97 LOAD: AVG 0.118146 MAX 0.207067 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 9015.97 LOAD: AVG 0.118146 MAX 0.207067 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.402 MB LDB: TIME 9015.97 LOAD: AVG 0.118146 MAX 0.207067 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.402 MB LDB: ============== END OF LOAD BALANCING =============== 9015.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9015.98 PRESSURE: 2992400 -8.48842 8.72545 205.518 8.72544 -108.891 91.0735 205.518 91.0727 13.6628 GPRESSURE: 2992400 -15.0044 1.61894 213.729 -0.665392 -75.5628 114.433 220.787 43.0438 87.6171 PRESSAVG: 2992400 -0.446258 5.77321 53.0121 5.7733 -41.9714 23.8247 53.012 23.8247 64.9263 GPRESSAVG: 2992400 1.50203 9.09661 54.047 6.65947 -42.7153 22.7052 52.392 24.4978 63.695 TIMING: 2992400 CPU: 9012.76, 0.00305008/step Wall: 9012.76, 0.00305008/step, 1.70093 hours remaining, 209.710938 MB of memory in use. ENERGY: 2992400 728.7833 2081.1006 1963.2182 109.5796 -205565.6318 17446.4590 0.0000 0.0000 34311.4567 -148925.0344 299.6505 -183236.4911 -148829.1022 300.7235 -34.5723 -0.9834 556657.3931 7.5029 7.4939 PRESSURE: 2992600 71.8252 28.2277 322.705 28.2276 -95.5925 -35.193 322.704 -35.1929 139.62 GPRESSURE: 2992600 77.5186 -60.5217 185.45 127.632 -23.8838 -80.9313 366.757 -1.77308 156.091 PRESSAVG: 2992600 35.3492 22.209 15.1023 22.209 -26.4122 22.3393 15.1024 22.3394 -3.85953 GPRESSAVG: 2992600 34.6377 21.1306 14.3959 17.5358 -26.2166 24.1723 13.9151 21.7673 -3.6482 TIMING: 2992600 CPU: 9013.36, 0.00301337/step Wall: 9013.36, 0.00301337/step, 1.68029 hours remaining, 209.914062 MB of memory in use. ENERGY: 2992600 778.8219 2075.3654 1942.8166 119.0612 -206423.0889 18019.2225 0.0000 0.0000 34500.7397 -148987.0615 301.3035 -183487.8012 -148887.4651 300.5627 38.6175 69.9086 557113.2814 1.6925 1.5910 PRESSURE: 2992800 -251.191 -20.0335 -7.8967 -20.0346 -158.553 -134.2 -7.89571 -134.199 -340.961 GPRESSURE: 2992800 -158.864 -86.432 34.6246 -0.107587 -156.068 -165.165 -23.9056 -131.436 -330.689 PRESSAVG: 2992800 -17.6572 -10.7141 -37.1241 -10.7141 -10.8791 -70.5681 -37.124 -70.5682 26.3668 GPRESSAVG: 2992800 -18.3498 -11.4714 -35.0742 -7.4268 -11.4428 -70.3611 -36.4897 -68.7277 27.2611 TIMING: 2992800 CPU: 9013.97, 0.00302442/step Wall: 9013.97, 0.00302442/step, 1.68628 hours remaining, 209.914062 MB of memory in use. ENERGY: 2992800 765.7172 2124.5529 1930.0104 119.7239 -205459.2019 17361.8455 0.0000 0.0000 34267.0439 -148890.3083 299.2626 -183157.3521 -148798.9199 300.0157 -250.2352 -215.2069 558195.4946 -0.7232 -0.8439 PRESSURE: 2993000 -186.989 -67.0477 -135.902 -67.0469 -241.459 56.3288 -135.901 56.3273 -98.1365 GPRESSURE: 2993000 -173.331 -60.6192 -129.396 -156.731 -200.786 -35.8252 -135.219 98.3328 -61.0785 PRESSAVG: 2993000 25.5648 -0.694066 30.3794 -0.694023 -31.1066 2.48029 30.3793 2.48028 -28.2609 GPRESSAVG: 2993000 26.7191 0.0252095 28.9766 -0.396222 -31.1751 1.80882 29.7136 3.24615 -29.475 TIMING: 2993000 CPU: 9014.58, 0.00303456/step Wall: 9014.58, 0.00303456/step, 1.69177 hours remaining, 209.914062 MB of memory in use. ENERGY: 2993000 768.2293 2067.4618 1964.1383 128.8045 -205795.9502 17612.7423 0.0000 0.0000 34292.1958 -148962.3782 299.4823 -183254.5740 -148872.4836 299.8002 -175.5284 -145.0650 557296.2222 -11.2676 -11.3104 PRESSURE: 2993200 231.598 18.2436 -85.957 18.2427 -17.981 -36.472 -85.9568 -36.4703 -325.496 GPRESSURE: 2993200 297.319 80.8111 -134.811 -111.084 -15.7815 24.2456 -46.4232 -71.9893 -290.877 PRESSAVG: 2993200 42.8731 -34.0315 7.10117 -34.0314 -13.0408 -34.1282 7.10125 -34.1283 -14.1317 GPRESSAVG: 2993200 41.6792 -33.9478 9.02818 -34.0034 -13.2678 -32.7568 6.37365 -37.2924 -13.2159 TIMING: 2993200 CPU: 9015.18, 0.0030161/step Wall: 9015.18, 0.0030161/step, 1.68131 hours remaining, 209.914062 MB of memory in use. ENERGY: 2993200 734.7100 2075.3622 1964.0076 124.9256 -206032.5131 17756.8935 0.0000 0.0000 34306.8782 -149069.7359 299.6105 -183376.6141 -148966.8364 299.6062 -37.2928 -3.1130 558052.6188 5.2335 5.0652 PRESSURE: 2993400 -214.398 -76.7433 84.4391 -76.7438 -74.9507 -129.295 84.4391 -129.295 -425.263 GPRESSURE: 2993400 -169.73 -120.525 105.257 -48.2585 -81.8717 -120.39 33.1707 -171.946 -357.799 PRESSAVG: 2993400 34.3967 -47.0799 15.018 -47.0798 60.4474 -22.374 15.018 -22.374 -89.1172 GPRESSAVG: 2993400 36.1184 -45.4225 14.1066 -46.6525 60.5055 -25.3939 14.2117 -19.6397 -90.6175 TIMING: 2993400 CPU: 9015.78, 0.00298909/step Wall: 9015.78, 0.00298909/step, 1.66609 hours remaining, 209.914062 MB of memory in use. ENERGY: 2993400 794.9147 2118.8882 1932.6915 114.5567 -205950.6073 17610.9602 0.0000 0.0000 34304.4446 -149074.1514 299.5892 -183378.5960 -148982.0308 299.8069 -238.2040 -203.1335 558212.7838 1.9090 2.0021 PRESSURE: 2993600 163.134 -208.729 -56.9226 -208.728 -140.957 -191.842 -56.9236 -191.845 -152.775 GPRESSURE: 2993600 135.492 -282.216 18.5051 -147.488 -69.5036 -203.891 -91.0832 -141.855 -108.78 PRESSAVG: 2993600 6.25698 -29.8759 -3.50717 -29.8759 -18.7706 -40.0121 -3.50718 -40.0122 -16.8766 GPRESSAVG: 2993600 5.64755 -31.1453 -2.95488 -28.1747 -18.4768 -38.6216 -2.70283 -39.8711 -16.6928 TIMING: 2993600 CPU: 9016.38, 0.00301609/step Wall: 9016.38, 0.00301609/step, 1.68097 hours remaining, 209.914062 MB of memory in use. ENERGY: 2993600 735.3065 2126.0850 1941.4062 103.6886 -206143.0160 17748.7998 0.0000 0.0000 34197.7650 -149289.9648 298.6576 -183487.7299 -149193.6005 298.7610 -43.5328 -14.2641 556964.1920 -9.7967 -9.8407 PRESSURE: 2993800 -121.518 28.2152 15.3108 28.2145 37.7816 198.721 15.3108 198.72 -57.0978 GPRESSURE: 2993800 -86.023 29.1095 32.75 -19.9462 69.1135 163.63 62.3316 217.92 -23.518 PRESSAVG: 2993800 58.7121 -22.8342 4.02306 -22.8342 15.138 -54.5098 4.02301 -54.5099 -33.8944 GPRESSAVG: 2993800 57.941 -23.3701 2.39694 -25.7288 16.1755 -53.952 4.50411 -54.0361 -34.2856 TIMING: 2993800 CPU: 9016.98, 0.0030074/step Wall: 9016.98, 0.0030074/step, 1.67596 hours remaining, 209.914062 MB of memory in use. ENERGY: 2993800 739.1187 2107.4490 1928.1161 97.9979 -206175.5004 17799.4891 0.0000 0.0000 34106.3116 -149397.0180 297.8589 -183503.3297 -149301.3980 298.6516 -46.9447 -13.4758 557534.5741 13.3185 13.2770 PRESSURE: 2994000 195.548 -85.4175 -34.8907 -85.4192 -97.2574 -105.187 -34.8899 -105.187 -50.3554 GPRESSURE: 2994000 249.753 -63.6194 -22.691 -49.9211 -5.60972 -23.2113 20.3962 -73.8319 -102.427 PRESSAVG: 2994000 22.5955 -29.5912 30.6349 -29.591 61.6009 -11.9758 30.6348 -11.9757 -97.7689 GPRESSAVG: 2994000 22.8324 -30.0604 32.2052 -27.9305 60.8498 -11.8453 31.6024 -14.3143 -96.9755 TIMING: 2994000 CPU: 9017.57, 0.00296082/step Wall: 9017.57, 0.00296082/step, 1.64983 hours remaining, 209.914062 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: 2994000 751.6746 2146.7313 1923.6324 105.2232 -206253.1575 17833.1406 0.0000 0.0000 34303.4448 -149189.3105 299.5805 -183492.7554 -149095.7402 298.9107 15.9784 47.2389 557949.4247 -4.5242 -4.4311 PRESSURE: 2994200 26.1697 85.3386 -3.29556 85.3389 -227.913 -84.1567 -3.29543 -84.1578 -320.482 GPRESSURE: 2994200 27.1532 131.889 -3.85747 46.8328 -226.522 -31.6125 -63.2325 -122.212 -241.924 PRESSAVG: 2994200 -6.43837 -5.25937 20.2821 -5.25926 -30.8192 -12.9772 20.2821 -12.9772 -36.092 GPRESSAVG: 2994200 -6.32792 -3.08918 19.092 -6.77284 -30.6359 -14.0882 19.285 -11.7331 -35.3626 TIMING: 2994200 CPU: 9018.17, 0.00299483/step Wall: 9018.17, 0.00299483/step, 1.66862 hours remaining, 209.914062 MB of memory in use. ENERGY: 2994200 766.9784 2027.2618 1935.9139 118.0033 -205959.2164 17652.3593 0.0000 0.0000 34191.7464 -149266.9534 298.6050 -183458.6997 -149175.1520 298.8407 -174.0750 -147.0977 558520.8453 -24.4499 -24.1088 PRESSURE: 2994400 86.8508 122.446 -112.68 122.446 -168.098 -50.4589 -112.682 -50.46 -182.401 GPRESSURE: 2994400 19.01 67.3564 -127.815 116.476 -106.189 -51.6139 -59.6838 -15.5854 -79.3274 PRESSAVG: 2994400 53.4454 18.2979 -12.07 18.2979 39.4237 -14.9296 -12.07 -14.9296 -64.9222 GPRESSAVG: 2994400 52.7166 17.3894 -14.6944 18.889 40.0176 -15.508 -9.80146 -13.2552 -64.7048 TIMING: 2994400 CPU: 9018.77, 0.00299806/step Wall: 9018.77, 0.00299806/step, 1.67026 hours remaining, 209.914062 MB of memory in use. ENERGY: 2994400 722.0805 2114.9336 1919.5055 123.3818 -206393.3784 17794.1379 0.0000 0.0000 34452.8271 -149266.5120 300.8851 -183719.3391 -149169.7191 299.2051 -87.8828 -55.5022 557572.9491 9.3157 9.3432 PRESSURE: 2994600 55.6153 -106.455 -74.3952 -106.454 -90.8642 -81.0435 -74.3952 -81.0448 -382.158 GPRESSURE: 2994600 107.566 -111.036 -46.4341 -177.036 -26.5785 -31.3537 -112.697 -114.48 -400.494 PRESSAVG: 2994600 -6.00183 -28.1343 -47.1112 -28.1343 -21.0368 -28.2238 -47.1111 -28.2238 -2.82032 GPRESSAVG: 2994600 -5.63611 -26.612 -45.8962 -28.4324 -20.8653 -27.2818 -49.0903 -30.0359 -4.01556 TIMING: 2994600 CPU: 9019.37, 0.00298284/step Wall: 9019.37, 0.00298284/step, 1.66161 hours remaining, 209.914062 MB of memory in use. ENERGY: 2994600 781.4414 2080.3014 1933.7322 112.2294 -206298.2761 17765.5704 0.0000 0.0000 34308.1113 -149316.8900 299.6213 -183625.0013 -149219.5616 299.4287 -139.1356 -106.5022 558062.3591 -9.9530 -10.1723 PRESSURE: 2994800 354.776 -45.0389 -53.7555 -45.0391 129.421 -44.4513 -53.7559 -44.451 262.694 GPRESSURE: 2994800 386.228 -144.032 -59.7408 -59.5563 142.911 -123.881 -50.2793 -49.6194 328.465 PRESSAVG: 2994800 15.4668 -14.0504 -28.6454 -14.0504 37.7042 -45.4049 -28.6455 -45.405 14.1203 GPRESSAVG: 2994800 14.5209 -15.0042 -27.8042 -13.693 37.1658 -46.2478 -28.6797 -44.4103 14.9673 TIMING: 2994800 CPU: 9019.97, 0.00299752/step Wall: 9019.97, 0.00299752/step, 1.66962 hours remaining, 210.039062 MB of memory in use. ENERGY: 2994800 729.7147 2062.8644 1931.5320 101.8126 -206464.1894 18119.8512 0.0000 0.0000 34268.0946 -149250.3198 299.2718 -183518.4144 -149153.8932 299.1249 248.9634 285.8681 556190.2399 22.4304 22.2180 PRESSURE: 2995000 72.0626 41.1511 -72.8448 41.1504 21.5615 -295.856 -72.8457 -295.855 124.737 GPRESSURE: 2995000 102.528 34.5513 -49.2497 58.4612 112.516 -301.92 -5.19316 -279.25 96.3625 PRESSAVG: 2995000 26.1626 -7.5223 -19.7073 -7.52244 40.9107 -0.922584 -19.7074 -0.922571 -41.7124 GPRESSAVG: 2995000 27.0284 -7.39605 -19.6824 -7.05526 40.5147 1.87006 -20.8725 -4.0217 -42.2846 TIMING: 2995000 CPU: 9020.57, 0.00301211/step Wall: 9020.57, 0.00301211/step, 1.67758 hours remaining, 210.039062 MB of memory in use. ENERGY: 2995000 744.6152 2072.3152 1957.5619 112.1131 -206392.0111 17877.8771 0.0000 0.0000 34554.5396 -149072.9889 301.7734 -183627.5285 -148977.4343 299.5282 72.7870 103.8022 557693.0307 8.4536 8.4195 PRESSURE: 2995200 68.4945 -12.1312 104.623 -12.1315 26.2433 141.976 104.622 141.975 -36.5165 GPRESSURE: 2995200 66.3611 -80.5041 99.603 -23.9068 64.0507 59.4703 88.8224 178.376 24.2122 PRESSAVG: 2995200 48.47 -20.0111 -31.0516 -20.0111 7.76423 27.6851 -31.0516 27.685 -72.8306 GPRESSAVG: 2995200 48.4802 -19.3089 -29.8052 -20.904 8.15068 27.4075 -31.0858 28.9453 -73.5032 TIMING: 2995200 CPU: 9021.18, 0.0030376/step Wall: 9021.18, 0.0030376/step, 1.6916 hours remaining, 210.039062 MB of memory in use. ENERGY: 2995200 720.4986 2054.6718 1944.5522 104.3568 -206259.8458 17932.2446 0.0000 0.0000 34256.3196 -149247.2021 299.1690 -183503.5218 -149144.0726 299.8274 19.4071 51.5413 559010.8307 -5.5322 -5.6241 PRESSURE: 2995400 -166.688 41.8623 15.3363 41.8617 -208.935 -86.0373 15.3354 -86.038 10.0289 GPRESSURE: 2995400 -133.189 -42.6654 -13.8222 120.641 -129.672 -43.4022 5.61567 -3.73094 -5.14933 PRESSAVG: 2995400 -22.305 4.49066 -3.49627 4.49079 49.5656 -7.7172 -3.49622 -7.71725 -28.8641 GPRESSAVG: 2995400 -22.0565 3.51017 -5.63495 5.1465 48.7362 -7.89178 -2.95681 -6.91128 -27.8776 TIMING: 2995400 CPU: 9021.79, 0.00304462/step Wall: 9021.79, 0.00304462/step, 1.69535 hours remaining, 210.039062 MB of memory in use. ENERGY: 2995400 712.8983 2090.0545 1935.4274 104.7615 -206242.8808 17785.5441 0.0000 0.0000 34296.2490 -149317.9461 299.5177 -183614.1951 -149215.1191 298.4960 -121.8647 -89.3366 559300.7737 -0.5345 -0.3993 PRESSURE: 2995600 302.413 -27.2122 -12.6864 -27.2105 228.204 -164.417 -12.6866 -164.416 242.186 GPRESSURE: 2995600 338.156 -121.559 6.36049 -22.9083 264.98 -190.755 -57.5552 -118.714 262.774 PRESSAVG: 2995600 -6.90423 30.9051 20.8952 30.9051 24.7979 1.26719 20.8952 1.26713 -13.1299 GPRESSAVG: 2995600 -6.72897 31.4611 20.2203 33.1683 25.3065 -0.370082 24.1258 3.07571 -14.0186 TIMING: 2995600 CPU: 9022.38, 0.00298154/step Wall: 9022.38, 0.00298154/step, 1.66005 hours remaining, 210.039062 MB of memory in use. ENERGY: 2995600 744.4392 2076.5419 1937.0653 106.5543 -207041.3788 18264.0877 0.0000 0.0000 34449.2826 -149463.4079 300.8542 -183912.6904 -149367.9341 299.0825 257.6011 288.6365 556547.4341 1.5879 1.5196 PRESSURE: 2995800 5.18671 62.8635 85.1746 62.8626 -202.998 22.322 85.1736 22.3213 -16.6162 GPRESSURE: 2995800 -4.0183 45.4079 41.0824 126.232 -154.719 21.6074 142.008 64.0477 43.4244 PRESSAVG: 2995800 -16.5189 7.16513 18.1134 7.16521 30.2593 6.8439 18.1134 6.84388 -40.0686 GPRESSAVG: 2995800 -16.6507 5.44456 21.1494 5.75282 30.3334 7.00594 15.2699 4.05977 -39.6228 TIMING: 2995800 CPU: 9022.98, 0.00298391/step Wall: 9022.98, 0.00298391/step, 1.66121 hours remaining, 210.039062 MB of memory in use. ENERGY: 2995800 738.0795 2068.8848 1943.2301 100.0078 -206335.6114 17777.2171 0.0000 0.0000 34355.0835 -149353.1087 300.0315 -183708.1921 -149253.1077 299.1302 -71.4757 -38.4376 558366.5398 -8.7761 -8.6467 PRESSURE: 2996000 27.6505 42.6641 -128.031 42.6635 16.0846 12.455 -128.032 12.4532 235.718 GPRESSURE: 2996000 88.1972 12.0898 -84.6862 126.412 85.2194 26.8354 -103.153 -41.0105 200.133 PRESSAVG: 2996000 63.692 44.6194 -15.6707 44.6193 1.83525 -30.3606 -15.6707 -30.3606 -52.5483 GPRESSAVG: 2996000 64.1736 45.9742 -14.1041 44.8727 1.72749 -29.7511 -15.2448 -28.8329 -53.3809 TIMING: 2996000 CPU: 9023.58, 0.00300764/step Wall: 9023.58, 0.00300764/step, 1.67425 hours remaining, 210.039062 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: 2996000 733.7567 2067.5989 1924.5775 109.3545 -206567.0672 18018.6428 0.0000 0.0000 34461.3346 -149251.8022 300.9594 -183713.1368 -149156.6511 299.1107 93.1509 124.5165 556102.4241 4.3263 4.1734 PRESSURE: 2996200 102.815 -97.5548 -104.816 -97.5555 -124.129 2.45139 -104.815 2.45261 -70.9079 GPRESSURE: 2996200 119.327 -109.893 -110.434 -46.3018 -108.169 37.5921 -59.5839 -40.9126 -3.60232 PRESSAVG: 2996200 12.3766 -18.8376 -52.1725 -18.8377 -7.23557 35.5807 -52.1726 35.5808 -12.3459 GPRESSAVG: 2996200 10.5816 -16.9388 -54.542 -18.6508 -7.11227 35.4233 -51.9989 33.99 -10.5114 TIMING: 2996200 CPU: 9024.18, 0.00300845/step Wall: 9024.18, 0.00300845/step, 1.67454 hours remaining, 210.039062 MB of memory in use. ENERGY: 2996200 717.6901 2118.2515 1943.3186 118.8187 -206204.0424 17791.3101 0.0000 0.0000 34267.0931 -149247.5603 299.2630 -183514.6534 -149148.2504 298.8895 -30.7407 2.5187 557914.9995 -2.4016 -2.3474 LDB: ============= START OF LOAD BALANCING ============== 9027.7 LDB: ============== END OF LOAD BALANCING =============== 9027.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9027.7 LDB: ============= START OF LOAD BALANCING ============== 9028 LDB: Largest compute 4794 load 0.025789 is 21.8% of average load 0.118119 LDB: Average compute 0.001725 is 1.5% of average load 0.118119 LDB: TIME 9028 LOAD: AVG 0.118119 MAX 0.206243 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 212.148 MB LDB: TIME 9028 LOAD: AVG 0.118119 MAX 0.206243 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 212.254 MB LDB: TIME 9028 LOAD: AVG 0.118119 MAX 0.206243 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 212.254 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9028 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9028 PRESSURE: 2996400 -139.287 129.047 98.2182 129.048 -115.849 277.007 98.2169 277.005 41.2439 GPRESSURE: 2996400 -68.9316 34.1091 -29.9933 219.801 -49.9817 263.381 36.7651 245.54 -1.15119 PRESSAVG: 2996400 -29.8399 -0.365947 -24.8437 -0.366014 53.7106 66.7547 -24.8437 66.7547 -23.246 GPRESSAVG: 2996400 -29.6996 -1.93298 -24.8103 -0.409407 54.3851 67.3468 -25.6793 68.2362 -23.8695 TIMING: 2996400 CPU: 9024.79, 0.00302495/step Wall: 9024.79, 0.00302495/step, 1.68355 hours remaining, 210.621094 MB of memory in use. ENERGY: 2996400 739.3003 2080.5490 1939.2766 106.4591 -205806.1365 17712.8957 0.0000 0.0000 34061.7906 -149165.8651 297.4701 -183227.6557 -149070.9654 298.6445 -71.2974 -40.0215 557427.2449 0.2082 0.2720 PRESSURE: 2996600 -165.867 26.3717 84.5108 26.3718 -28.2 -22.9302 84.5099 -22.9288 15.6746 GPRESSURE: 2996600 -78.6956 104.077 137.385 -52.1819 -62.2771 30.4418 136.934 -70.0113 49.1421 PRESSAVG: 2996600 -3.10459 8.89705 -1.54483 8.89704 22.3046 13.4676 -1.54473 13.4677 -40.4655 GPRESSAVG: 2996600 -1.9832 6.8869 1.14552 10.2938 22.2895 12.5072 -0.35489 12.0362 -41.4581 TIMING: 2996600 CPU: 9025.39, 0.00299836/step Wall: 9025.39, 0.00299836/step, 1.66859 hours remaining, 210.824219 MB of memory in use. ENERGY: 2996600 755.4076 2043.0046 1928.4787 123.5051 -205833.6436 17589.3624 0.0000 0.0000 34351.4490 -149042.4361 299.9997 -183393.8851 -148946.3882 299.7334 -59.4641 -30.6102 557838.9726 -7.0885 -7.0506 PRESSURE: 2996800 -91.45 64.412 43.9286 64.4123 -78.0339 6.23495 43.9289 6.23563 -218.615 GPRESSURE: 2996800 -101.32 75.7245 95.4158 58.9547 -25.1267 -43.2705 -11.7668 28.5495 -180.061 PRESSAVG: 2996800 7.59452 56.4872 5.23124 56.4872 83.3534 37.5421 5.23116 37.542 -58.3402 GPRESSAVG: 2996800 6.70789 57.202 2.74599 54.9085 83.4901 36.471 5.3544 40.584 -58.0548 TIMING: 2996800 CPU: 9025.99, 0.00299955/step Wall: 9025.99, 0.00299955/step, 1.66908 hours remaining, 210.824219 MB of memory in use. ENERGY: 2996800 763.3150 2090.1302 1901.9586 106.4632 -205862.7812 17629.5592 0.0000 0.0000 34278.0285 -149093.3266 299.3585 -183371.3551 -149001.0187 299.8123 -129.3663 -102.1691 558451.4748 10.8692 10.7144 PRESSURE: 2997000 -217.585 57.0682 -89.7682 57.0675 -57.5325 59.8719 -89.7689 59.8729 -173.051 GPRESSURE: 2997000 -169.807 120.649 -129.121 -99.2505 -55.425 30.4045 -12.6768 90.8177 -122.317 PRESSAVG: 2997000 -14.0829 20.315 -24.4544 20.3149 -29.3078 52.3252 -24.4544 52.3253 9.68443 GPRESSAVG: 2997000 -13.9007 22.7641 -21.8511 19.0956 -29.6092 53.3614 -27.1185 51.8854 10.2774 TIMING: 2997000 CPU: 9026.58, 0.00297616/step Wall: 9026.58, 0.00297616/step, 1.6559 hours remaining, 210.824219 MB of memory in use. ENERGY: 2997000 689.4430 2097.7321 1955.2583 111.4651 -206125.4773 17644.3997 0.0000 0.0000 34247.9919 -149379.1873 299.0962 -183627.1791 -149285.4692 299.1813 -149.3896 -115.8497 558243.8602 -11.2354 -11.0775 PRESSURE: 2997200 -24.8836 142.293 48.2911 142.292 -47.4802 41.4364 48.2906 41.4361 -78.2823 GPRESSURE: 2997200 -11.3804 228.011 -9.6763 124.657 -48.1684 84.8731 171.259 -28.2718 -13.063 PRESSAVG: 2997200 -20.8216 5.65331 30.7664 5.65341 -18.9171 -13.3525 30.7663 -13.3525 16.4459 GPRESSAVG: 2997200 -20.0278 3.66773 28.57 6.77407 -19.2886 -11.5858 34.8872 -15.9168 15.6895 TIMING: 2997200 CPU: 9027.18, 0.00298659/step Wall: 9027.18, 0.00298659/step, 1.66154 hours remaining, 210.824219 MB of memory in use. ENERGY: 2997200 740.9057 2130.3747 1941.7126 128.8727 -206119.1000 17713.6057 0.0000 0.0000 34115.7886 -149347.8400 297.9417 -183463.6287 -149256.8953 299.0238 -50.2154 -24.2039 557762.0319 -7.7643 -7.8756 PRESSURE: 2997400 65.427 4.23979 136.875 4.23848 -289.314 -10.9652 136.876 -10.9661 -297.427 GPRESSURE: 2997400 92.5326 20.901 151.701 13.5764 -247.989 -94.5844 70.0031 49.6227 -283.909 PRESSAVG: 2997400 48.1247 -25.2408 39.2311 -25.2408 -0.82524 36.5527 39.2311 36.5528 -84.9536 GPRESSAVG: 2997400 47.9013 -24.4769 39.568 -25.4125 -0.794196 35.4036 37.8684 38.2004 -83.8837 TIMING: 2997400 CPU: 9027.78, 0.00299646/step Wall: 9027.78, 0.00299646/step, 1.66686 hours remaining, 210.824219 MB of memory in use. ENERGY: 2997400 783.4996 2001.4902 1937.6060 104.7883 -205905.5202 17630.5521 0.0000 0.0000 34255.2168 -149192.3671 299.1593 -183447.5839 -149095.6480 299.3829 -173.7711 -146.4551 559349.0208 -12.5514 -12.2589 PRESSURE: 2997600 233.4 100.337 -58.6243 100.336 302.602 -155.177 -58.6242 -155.177 -321.056 GPRESSURE: 2997600 225.687 56.7012 27.6357 29.3285 359.312 -154.297 -50.4714 -60.782 -280.255 PRESSAVG: 2997600 -44.9122 -6.71827 12.6084 -6.71827 38.7781 -38.8067 12.6084 -38.8067 -15.5788 GPRESSAVG: 2997600 -44.6104 -7.73146 11.5898 -7.55424 37.9402 -37.7886 12.8785 -39.4049 -15.4842 TIMING: 2997600 CPU: 9028.38, 0.00300954/step Wall: 9028.38, 0.00300954/step, 1.67397 hours remaining, 210.824219 MB of memory in use. ENERGY: 2997600 709.2725 2084.9862 1939.3620 107.2554 -206586.9644 18163.4339 0.0000 0.0000 34213.1155 -149369.5388 298.7916 -183582.6543 -149283.3471 299.4089 71.6485 101.5815 559580.3716 -7.2376 -7.3848 PRESSURE: 2997800 -416.172 19.5909 -53.8373 19.5911 -67.6106 -115.109 -53.8379 -115.108 -164.535 GPRESSURE: 2997800 -377.293 38.8402 -63.028 110.674 -46.4594 -109.01 -43.2246 -164.555 -117.133 PRESSAVG: 2997800 6.43641 -7.73136 32.2825 -7.73147 14.6536 -45.2347 32.2824 -45.2347 14.5383 GPRESSAVG: 2997800 6.02155 -6.03383 34.093 -7.47631 15.7844 -45.3381 32.0089 -47.5028 14.1367 TIMING: 2997800 CPU: 9028.99, 0.00302964/step Wall: 9028.99, 0.00302964/step, 1.68498 hours remaining, 210.824219 MB of memory in use. ENERGY: 2997800 735.3401 2128.7105 1960.0018 107.1496 -206210.0937 17655.8641 0.0000 0.0000 34194.1940 -149428.8336 298.6264 -183623.0275 -149329.6640 299.3315 -216.1057 -180.2953 559394.1260 11.8761 11.9809 PRESSURE: 2998000 157.005 -113.414 91.1942 -113.413 -87.7873 165.414 91.1945 165.416 -100.723 GPRESSURE: 2998000 179.528 -95.3866 143.567 -247.455 -47.0476 119.306 132.935 126.697 -67.1847 PRESSAVG: 2998000 -47.4231 -59.9507 -19.6037 -59.9507 72.1584 18.814 -19.6038 18.814 -22.7087 GPRESSAVG: 2998000 -48.2841 -61.4817 -20.5636 -58.0237 73.4104 16.1369 -22.3461 22.5366 -23.054 TIMING: 2998000 CPU: 9029.59, 0.00299505/step Wall: 9029.59, 0.00299505/step, 1.66558 hours remaining, 210.824219 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: 2998000 760.3316 2013.4793 1928.1150 109.7628 -206768.6607 18197.7336 0.0000 0.0000 34231.0028 -149528.2357 298.9479 -183759.2385 -149432.9531 299.2976 -10.5016 21.7653 557885.3252 0.6755 0.6908 PRESSURE: 2998200 16.9645 -58.4596 -92.6178 -58.4583 54.988 -14.1733 -92.6184 -14.1736 94.8996 GPRESSURE: 2998200 113.094 -86.0892 -20.2751 -91.2193 95.1741 -36.0546 -114.966 36.4773 33.7066 PRESSAVG: 2998200 -35.666 -19.0546 6.22446 -19.0545 15.1118 2.8394 6.22443 2.83936 29.1292 GPRESSAVG: 2998200 -34.7058 -17.8472 7.60208 -19.4726 14.3184 7.03879 6.94669 -0.0197187 28.7446 TIMING: 2998200 CPU: 9030.18, 0.00297881/step Wall: 9030.18, 0.00297881/step, 1.65638 hours remaining, 210.824219 MB of memory in use. ENERGY: 2998200 745.8767 2073.8920 1914.7237 105.6512 -206727.8571 18060.6450 0.0000 0.0000 34316.7479 -149510.3205 299.6967 -183827.0684 -149407.6461 299.4241 55.6174 80.6582 557582.7461 2.8583 2.7857 PRESSURE: 2998400 161.285 -61.1012 -110.586 -61.1029 -154.47 40.8921 -110.586 40.8921 162.167 GPRESSURE: 2998400 163.295 -105.916 32.2234 -13.7723 -89.5528 18.0999 -172.96 45.41 204.573 PRESSAVG: 2998400 45.8715 17.6927 74.4051 17.6927 -76.263 -11.8721 74.4052 -11.8722 21.7054 GPRESSAVG: 2998400 45.6348 17.2693 73.8552 15.2917 -75.9857 -12.8797 75.8064 -12.0681 21.8079 TIMING: 2998400 CPU: 9030.79, 0.00302364/step Wall: 9030.79, 0.00302364/step, 1.68115 hours remaining, 210.824219 MB of memory in use. ENERGY: 2998400 737.0476 2132.4855 1946.9908 111.1066 -206567.3309 17958.6122 0.0000 0.0000 34265.5995 -149415.4886 299.2500 -183681.0881 -149323.7218 298.6339 56.3272 92.7716 557621.2161 -2.8954 -2.8477 PRESSURE: 2998600 -144.009 32.5318 114.062 32.5323 4.63042 139.501 114.061 139.5 -125.708 GPRESSURE: 2998600 -93.0578 116.488 183.326 -52.8935 -10.2107 123.048 110.827 143.64 -76.527 PRESSAVG: 2998600 75.5731 20.2857 8.60276 20.2857 -70.8759 7.43674 8.60275 7.43675 23.3065 GPRESSAVG: 2998600 76.1112 21.9379 8.68197 23.3296 -72.9094 6.25267 9.91198 9.27851 24.3665 TIMING: 2998600 CPU: 9031.39, 0.00302449/step Wall: 9031.39, 0.00302449/step, 1.68145 hours remaining, 210.824219 MB of memory in use. ENERGY: 2998600 742.3416 2055.3747 1923.4205 120.2956 -205921.7640 17623.7354 0.0000 0.0000 34037.0746 -149419.5216 297.2542 -183456.5962 -149319.0518 298.6927 -88.3623 -59.9318 558184.4329 9.3346 9.1894 PRESSURE: 2998800 197.58 -57.4341 -40.3506 -57.4339 75.4177 24.8986 -40.3492 24.8979 -148.545 GPRESSURE: 2998800 229.911 0.327973 -84.5028 -137.96 57.598 -21.2219 -35.7994 29.639 -68.2347 PRESSAVG: 2998800 12.0201 -10.5121 12.184 -10.5121 -30.7458 7.4744 12.184 7.47431 14.5848 GPRESSAVG: 2998800 11.7964 -9.91722 13.0976 -11.9299 -29.386 6.77823 10.5304 7.71304 13.3692 TIMING: 2998800 CPU: 9031.99, 0.00300792/step Wall: 9031.99, 0.00300792/step, 1.67207 hours remaining, 210.824219 MB of memory in use. ENERGY: 2998800 721.3797 2120.9002 1921.9237 116.2575 -206471.6247 18022.5102 0.0000 0.0000 34294.4361 -149274.2173 299.5018 -183568.6534 -149183.0427 299.3524 41.4843 73.0916 557204.3732 -1.3803 -1.4068 PRESSURE: 2999000 -361.76 -45.6273 -25.7801 -45.6273 115.427 -13.6998 -25.7799 -13.7026 -46.9379 GPRESSURE: 2999000 -302.504 -116.019 -5.14816 -52.5179 139.463 -51.6321 14.2419 3.19133 -32.674 PRESSAVG: 2999000 19.1854 -50.5902 -58.6668 -50.5902 50.515 3.07917 -58.6668 3.0791 -35.4619 GPRESSAVG: 2999000 18.589 -50.954 -58.3077 -50.8483 50.6672 4.24262 -58.3042 2.51576 -35.004 TIMING: 2999000 CPU: 9032.6, 0.00301045/step Wall: 9032.6, 0.00301045/step, 1.67331 hours remaining, 210.824219 MB of memory in use. ENERGY: 2999000 722.4816 2037.5983 1906.3104 121.9042 -206096.5024 17676.1140 0.0000 0.0000 34267.4331 -149364.6608 299.2660 -183632.0939 -149276.9480 299.2149 -97.7570 -65.2383 556812.2216 11.4128 11.4174 PRESSURE: 2999200 -285.974 59.4877 17.5246 59.4872 -114.574 126.841 17.524 126.841 -173.813 GPRESSURE: 2999200 -231.831 167.582 89.3531 42.187 -87.1187 213.117 -75.504 135.383 -156.784 PRESSAVG: 2999200 -41.4175 23.7494 -9.90637 23.7493 81.4457 -28.3754 -9.9064 -28.3753 -67.4401 GPRESSAVG: 2999200 -41.422 22.8798 -11.3103 23.4754 80.2311 -26.7014 -9.73927 -27.362 -65.9407 TIMING: 2999200 CPU: 9033.2, 0.00302911/step Wall: 9033.2, 0.00302911/step, 1.68351 hours remaining, 210.824219 MB of memory in use. ENERGY: 2999200 742.7299 2040.5557 1911.9671 107.3884 -205786.2260 17497.1370 0.0000 0.0000 34341.0629 -149145.3850 299.9090 -183486.4479 -149041.2571 298.8491 -191.4538 -158.5781 557709.0371 -9.1373 -9.0439 PRESSURE: 2999400 -40.1761 -19.5567 -1.53771 -19.5564 37.0169 -7.15727 -1.5362 -7.15807 -146.058 GPRESSURE: 2999400 44.4493 -29.6162 -98.9116 -93.7648 51.4024 46.4808 25.2416 -42.5857 -147.894 PRESSAVG: 2999400 -25.3822 51.622 14.3971 51.6221 30.5488 0.561435 14.3971 0.561439 -28.7077 GPRESSAVG: 2999400 -24.9516 52.844 13.4546 51.7191 30.1483 -0.85693 15.3506 -0.344502 -28.8557 TIMING: 2999400 CPU: 9033.8, 0.00298046/step Wall: 9033.8, 0.00298046/step, 1.65631 hours remaining, 210.824219 MB of memory in use. ENERGY: 2999400 759.7812 2037.6234 1946.5041 106.8548 -206203.0497 17796.6025 0.0000 0.0000 34346.3618 -149209.3219 299.9553 -183555.6837 -149114.7060 299.2012 -49.7391 -17.3473 557372.3964 -7.8471 -7.8864 PRESSURE: 2999600 213.156 -28.9699 65.695 -28.9699 -25.2407 -62.3898 65.6946 -62.3906 -75.947 GPRESSURE: 2999600 260.471 101.821 64.5085 -139.718 47.4363 -20.3797 21.2476 -76.6878 -107.764 PRESSAVG: 2999600 36.4754 28.132 16.4478 28.1319 58.7314 41.2103 16.4479 41.2103 -119.983 GPRESSAVG: 2999600 36.111 25.6142 18.6442 28.1233 60.209 42.5739 15.7384 39.9639 -120.957 TIMING: 2999600 CPU: 9034.4, 0.00299494/step Wall: 9034.4, 0.00299494/step, 1.66419 hours remaining, 210.824219 MB of memory in use. ENERGY: 2999600 726.4085 2092.0731 1953.8876 108.4221 -206246.4890 17747.0474 0.0000 0.0000 34479.2608 -149139.3896 301.1160 -183618.6503 -149043.3243 299.5574 37.3226 66.7145 556740.1397 -8.2588 -8.2122 PRESSURE: 2999800 -115.546 -18.2204 108.532 -18.2206 -156.861 -81.6098 108.532 -81.6106 -240.114 GPRESSURE: 2999800 -93.5071 -2.42738 170.585 -61.9312 -149.056 -75.4568 206.113 -51.4877 -177.362 PRESSAVG: 2999800 36.9667 9.71384 -30.595 9.71374 -3.69447 16.8916 -30.5949 16.8917 -32.94 GPRESSAVG: 2999800 37.7862 9.83568 -29.2627 11.0317 -5.04273 14.9639 -29.7231 20.3976 -32.3457 TIMING: 2999800 CPU: 9035, 0.00302314/step Wall: 9035, 0.00302314/step, 1.67969 hours remaining, 210.824219 MB of memory in use. ENERGY: 2999800 758.9376 2070.5674 1933.9893 121.0745 -206028.4679 17586.0418 0.0000 0.0000 34271.2695 -149286.5878 299.2995 -183557.8574 -149187.3171 298.9891 -170.8404 -139.9752 557050.1010 0.1107 0.1326 PRESSURE: 3000000 88.2484 -167.779 15.6072 -167.78 68.1294 -135.805 15.6088 -135.804 -116.373 GPRESSURE: 3000000 101.316 -169.058 51.6829 -150.911 76.7616 -143.852 -67.0587 -144.564 -40.064 PRESSAVG: 3000000 -23.1722 -28.4055 -18.5191 -28.4055 -22.101 -60.9439 -18.5191 -60.9438 7.81729 GPRESSAVG: 3000000 -22.677 -31.3638 -20.2207 -26.5865 -21.8941 -59.813 -19.4259 -63.7576 7.20176 TIMING: 3000000 CPU: 9035.6, 0.00300832/step Wall: 9035.6, 0.00300832/step, 1.67129 hours remaining, 210.824219 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: 3000000 733.3020 2037.7183 1938.3778 105.1066 -205886.0400 17625.4319 0.0000 0.0000 34123.7541 -149322.3493 298.0112 -183446.1034 -149221.4072 298.8150 13.3350 46.0045 557163.8065 -12.4853 -12.4565 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3000000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 3000000 WRITING COORDINATES TO RESTART FILE AT STEP 3000000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3000200 -54.645 28.6521 41.6272 28.652 295.13 -62.3472 41.6257 -62.3485 31.0494 GPRESSURE: 3000200 17.764 162.589 5.75235 10.5439 290.532 -59.14 42.2744 -62.5386 62.5076 PRESSAVG: 3000200 36.8623 -15.2873 11.7342 -15.2873 -68.5191 12.8714 11.7342 12.8714 39.2002 GPRESSAVG: 3000200 36.4602 -10.5223 10.4654 -18.2526 -68.1386 12.4206 11.432 11.9162 39.5279 TIMING: 3000200 CPU: 9036.22, 0.00307326/step Wall: 9036.22, 0.00307326/step, 1.70719 hours remaining, 210.824219 MB of memory in use. ENERGY: 3000200 748.5561 2071.1462 1950.3289 109.7342 -206319.3848 17882.4279 0.0000 0.0000 34092.9975 -149464.1940 297.7426 -183557.1915 -149361.9252 298.3835 90.5114 123.6010 557416.9456 2.5145 2.6165 LDB: ============= START OF LOAD BALANCING ============== 9039.73 LDB: ============== END OF LOAD BALANCING =============== 9039.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9039.73 LDB: ============= START OF LOAD BALANCING ============== 9040.03 LDB: Largest compute 4794 load 0.027929 is 23.7% of average load 0.118072 LDB: Average compute 0.001717 is 1.5% of average load 0.118072 LDB: TIME 9040.04 LOAD: AVG 0.118072 MAX 0.20674 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.758 MB LDB: TIME 9040.04 LOAD: AVG 0.118072 MAX 0.20674 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.758 MB LDB: TIME 9040.04 LOAD: AVG 0.118072 MAX 0.20674 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.758 MB LDB: ============== END OF LOAD BALANCING =============== 9040.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9040.04 PRESSURE: 3000400 -140.308 10.128 -119.237 10.1286 -94.6271 54.4572 -119.238 54.4573 -122.057 GPRESSURE: 3000400 -100.939 -93.1771 -32.3051 91.9672 -55.3261 23.5541 -115.613 120.188 -104.035 PRESSAVG: 3000400 -8.22155 -31.5819 -30.0294 -31.5819 -2.20832 14.645 -30.0295 14.645 -19.9991 GPRESSAVG: 3000400 -8.77306 -34.7115 -28.2861 -29.5795 -1.70325 14.5279 -30.6245 15.5334 -19.5301 TIMING: 3000400 CPU: 9036.83, 0.00305415/step Wall: 9036.83, 0.00305415/step, 1.69641 hours remaining, 209.453125 MB of memory in use. ENERGY: 3000400 778.5788 2125.3094 1916.3739 93.5758 -206077.2721 17598.0778 0.0000 0.0000 34143.5875 -149421.7689 298.1844 -183565.3564 -149328.6649 298.3864 -118.9975 -86.7668 557792.9515 -10.1430 -10.0021 PRESSURE: 3000600 2.28433 -7.97902 131 -7.9777 43.4909 -43.309 130.999 -43.3113 90.3812 GPRESSURE: 3000600 105.013 40.9785 148.416 -72.8197 34.4867 38.6848 100.379 -106.465 94.9981 PRESSAVG: 3000600 44.1277 1.48163 9.32304 1.48155 -42.6027 15.152 9.32306 15.152 -0.988655 GPRESSAVG: 3000600 46.3555 6.44512 9.58979 -1.22901 -44.0504 15.0183 11.019 17.2062 -1.35943 TIMING: 3000600 CPU: 9037.42, 0.00298336/step Wall: 9037.42, 0.00298336/step, 1.65693 hours remaining, 209.656250 MB of memory in use. ENERGY: 3000600 755.6198 2062.2429 1946.8875 121.1352 -206203.2527 17827.2555 0.0000 0.0000 34019.5676 -149470.5441 297.1013 -183490.1118 -149374.0455 298.7084 45.3855 78.1659 557639.3816 0.1788 0.3152 PRESSURE: 3000800 -9.32928 37.6673 122.005 37.6681 -284.21 -8.17534 122.005 -8.17592 -53.3048 GPRESSURE: 3000800 -6.30499 59.4262 63.3515 26.8679 -231.313 26.3098 105.405 -40.087 -26.9807 PRESSAVG: 3000800 -11.6711 17.335 34.0739 17.335 -0.0742643 1.51159 34.074 1.51152 4.3773 GPRESSAVG: 3000800 -11.6111 13.1666 33.6417 19.8584 1.17471 1.45711 32.3542 -0.640853 3.5604 TIMING: 3000800 CPU: 9038.02, 0.00297437/step Wall: 9038.02, 0.00297437/step, 1.65177 hours remaining, 209.656250 MB of memory in use. ENERGY: 3000800 716.6966 2083.2616 1940.3445 115.9195 -206401.2932 17715.7501 0.0000 0.0000 34375.5346 -149453.7864 300.2101 -183829.3210 -149356.5592 298.9435 -115.6146 -88.1994 557889.0507 -2.4560 -2.2920 PRESSURE: 3001000 -29.3851 56.1024 -107.243 56.1008 228.818 79.1691 -107.243 79.1681 172.63 GPRESSURE: 3001000 35.6333 -3.35894 -5.29137 62.4975 221.211 -80.6821 -225.053 199.51 195.959 PRESSAVG: 3001000 14.0555 40.7196 8.0586 40.7195 -6.13164 -2.68024 8.0586 -2.68015 15.1023 GPRESSAVG: 3001000 13.1958 40.827 6.72201 40.5537 -6.20478 -2.69477 7.43786 -2.0756 16.0387 TIMING: 3001000 CPU: 9038.62, 0.00301167/step Wall: 9038.62, 0.00301167/step, 1.67232 hours remaining, 209.656250 MB of memory in use. ENERGY: 3001000 713.7077 2059.4908 1923.0537 110.3487 -206160.7377 17781.6521 0.0000 0.0000 34183.3272 -149389.1576 298.5315 -183572.4848 -149296.5027 299.1866 124.0209 150.9346 557266.4759 7.6754 7.6766 PRESSURE: 3001200 -109.889 57.1221 97.3603 57.1219 64.5793 -39.9694 97.3598 -39.9681 -69.1053 GPRESSURE: 3001200 -80.0758 -21.5951 85.4421 132.795 68.843 -40.1432 74.3648 -41.8295 -19.8165 PRESSAVG: 3001200 -36.1638 13.7828 -4.50378 13.7828 -38.5681 -45.5891 -4.50376 -45.589 69.4269 GPRESSAVG: 3001200 -35.6212 14.9073 -5.27969 11.492 -38.0793 -45.9227 -2.98667 -46.2774 69.1243 TIMING: 3001200 CPU: 9039.22, 0.00298235/step Wall: 9039.22, 0.00298235/step, 1.65587 hours remaining, 209.656250 MB of memory in use. ENERGY: 3001200 751.0508 2066.0994 1928.3851 115.0154 -206356.5088 17856.1400 0.0000 0.0000 34121.3788 -149518.4393 297.9905 -183639.8181 -149421.9263 298.8001 -38.1384 -10.3498 557076.3175 -1.7683 -1.5254 PRESSURE: 3001400 -291.541 -4.63634 8.44528 -4.63674 37.9505 44.0557 8.44468 44.0544 -49.429 GPRESSURE: 3001400 -223.907 -7.93427 -29.0716 89.2822 59.3047 55.8096 15.7293 30.0103 -47.2478 PRESSAVG: 3001400 -40.6615 47.1043 -17.2612 47.1042 28.5075 -9.90628 -17.2612 -9.90628 -9.73057 GPRESSAVG: 3001400 -40.968 46.4058 -15.8538 50.3483 28.4581 -10.5147 -17.4667 -10.9071 -9.23935 TIMING: 3001400 CPU: 9039.82, 0.00300255/step Wall: 9039.82, 0.00300255/step, 1.66692 hours remaining, 209.656250 MB of memory in use. ENERGY: 3001400 757.8423 2086.0732 1909.5273 101.4270 -206208.7198 17707.2796 0.0000 0.0000 34166.0450 -149480.5253 298.3806 -183646.5703 -149386.2131 298.1757 -101.0067 -70.6168 557816.9432 -7.2949 -7.2498 PRESSURE: 3001600 -250.855 -71.7864 23.9878 -71.7849 -214.696 -113.006 23.9875 -113.006 172.227 GPRESSURE: 3001600 -268.343 -157.902 8.8024 -29.4208 -125.361 -37.302 -49.1234 -97.2059 198.796 PRESSAVG: 3001600 -40.4892 11.305 28.0317 11.305 2.3659 -22.2534 28.0317 -22.2534 11.7075 GPRESSAVG: 3001600 -41.0944 11.9739 29.997 9.1519 2.44186 -23.1332 26.798 -18.7983 12.0751 TIMING: 3001600 CPU: 9040.42, 0.00299578/step Wall: 9040.42, 0.00299578/step, 1.66299 hours remaining, 209.656250 MB of memory in use. ENERGY: 3001600 763.7743 2069.0813 1910.1140 107.7827 -206087.7377 17671.1462 0.0000 0.0000 34080.6084 -149485.2307 297.6344 -183565.8392 -149389.0950 299.0480 -97.7745 -64.9695 557296.8472 -8.8052 -8.8592 PRESSURE: 3001800 -69.644 -66.4613 -141.724 -66.4599 -148.058 11.3729 -141.723 11.3732 -415.002 GPRESSURE: 3001800 -53.87 -66.2676 -132.157 -27.8809 -100.909 -22.6929 -104.431 40.3661 -375.141 PRESSAVG: 3001800 -0.607909 -4.67774 -6.44632 -4.67783 -35.192 36.4488 -6.4463 36.4487 29.5202 GPRESSAVG: 3001800 -0.811464 -3.53969 -6.74084 -3.83823 -35.2716 36.8651 -6.89166 35.5751 29.6573 TIMING: 3001800 CPU: 9041.02, 0.00299417/step Wall: 9041.02, 0.00299417/step, 1.66193 hours remaining, 209.656250 MB of memory in use. ENERGY: 3001800 777.7621 2083.4756 1935.8811 121.1594 -206139.7738 17438.0645 0.0000 0.0000 34268.0844 -149515.3466 299.2717 -183783.4311 -149418.8758 298.6421 -210.9012 -176.6398 556789.3465 -2.0933 -2.1419 PRESSURE: 3002000 -106.979 -8.04115 17.2306 -8.0415 44.9287 -161.671 17.2296 -161.67 -56.5665 GPRESSURE: 3002000 -80.3211 -65.5866 58.5672 12.5708 66.84 -18.7772 -45.4632 -231.796 -9.45348 PRESSAVG: 3002000 -42.5527 -8.64271 40.0684 -8.64264 47.2069 16.1241 40.0683 16.1242 9.86933 GPRESSAVG: 3002000 -41.6466 -9.26111 40.6417 -8.66613 47.551 18.6488 39.8169 13.5471 8.49541 TIMING: 3002000 CPU: 9041.62, 0.00299108/step Wall: 9041.62, 0.00299108/step, 1.66005 hours remaining, 209.656250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3002000 754.0379 2060.8227 1928.0649 105.5353 -206215.0594 17831.4021 0.0000 0.0000 34116.3028 -149418.8936 297.9462 -183535.1965 -149320.3031 298.7114 -39.5389 -7.6448 557348.5629 4.8412 4.8000 PRESSURE: 3002200 2.53254 207.633 20.0732 207.632 -224.007 -114.3 20.0747 -114.299 58.5146 GPRESSURE: 3002200 7.90439 165.56 -68.3205 150.691 -165.549 -82.9053 84.8739 -99.4674 78.4385 PRESSAVG: 3002200 -9.08378 16.3157 18.2088 16.3158 -1.69258 -16.0182 18.2088 -16.0182 33.5986 GPRESSAVG: 3002200 -10.2257 16.2135 17.1041 15.3375 -1.60833 -16.4761 18.9589 -13.6618 34.7681 TIMING: 3002200 CPU: 9042.21, 0.00298957/step Wall: 9042.21, 0.00298957/step, 1.65905 hours remaining, 209.656250 MB of memory in use. ENERGY: 3002200 690.7590 2068.9117 1917.6288 112.7556 -206254.7893 17704.4266 0.0000 0.0000 34273.6141 -149486.6935 299.3200 -183760.3076 -149389.8130 299.3980 -54.3199 -26.4020 556647.9300 7.6074 7.6447 PRESSURE: 3002400 16.181 -26.4158 208.037 -26.4151 -197.938 -36.3855 208.037 -36.386 277.824 GPRESSURE: 3002400 20.0199 -69.3589 164.534 -28.7121 -126.311 -54.1887 224.181 -9.89664 303.937 PRESSAVG: 3002400 -6.5961 7.70001 7.15268 7.70003 -26.0946 45.0296 7.15268 45.0296 16.699 GPRESSAVG: 3002400 -6.35188 7.79922 5.87938 9.73819 -26.0047 45.7154 8.31812 43.2689 16.6396 TIMING: 3002400 CPU: 9042.82, 0.00300954/step Wall: 9042.82, 0.00300954/step, 1.66996 hours remaining, 209.917969 MB of memory in use. ENERGY: 3002400 693.6641 2042.7631 1942.3239 103.9523 -206773.4570 18062.2376 0.0000 0.0000 34383.2207 -149545.2954 300.2772 -183928.5161 -149448.4187 298.6679 32.0223 65.8819 557783.7404 -5.3306 -5.2390 PRESSURE: 3002600 -301.33 57.9227 -1.26427 57.9218 -207.159 85.5796 -1.26513 85.5786 -257.617 GPRESSURE: 3002600 -228.969 -14.5084 32.8 27.0376 -247.824 70.5261 28.7633 103.04 -185.829 PRESSAVG: 3002600 84.774 36.9876 -41.5036 36.9875 -18.7559 45.5773 -41.5036 45.5773 -32.2 GPRESSAVG: 3002600 86.0903 37.6373 -39.0306 33.9316 -18.9508 46.8208 -41.6184 44.259 -32.2366 TIMING: 3002600 CPU: 9043.42, 0.00303059/step Wall: 9043.42, 0.00303059/step, 1.68147 hours remaining, 209.917969 MB of memory in use. ENERGY: 3002600 767.5056 2045.1679 1932.8924 107.9259 -206122.8137 17474.6278 0.0000 0.0000 34226.1351 -149568.5589 298.9054 -183794.6940 -149474.2402 298.3701 -255.3688 -220.8741 558712.9293 11.2727 11.6343 PRESSURE: 3002800 -37.7209 -105.249 -36.5253 -105.249 -168.517 -33.6763 -36.5252 -33.675 -143.925 GPRESSURE: 3002800 -78.3182 -61.7006 -78.8295 -69.8191 -117.005 11.9323 -32.75 -27.32 -46.9565 PRESSAVG: 3002800 38.1512 35.3302 8.30266 35.3302 10.765 10.2749 8.3026 10.2748 -69.377 GPRESSAVG: 3002800 38.4817 34.8405 6.18945 38.9861 10.7346 8.60222 5.89052 11.0468 -68.9098 TIMING: 3002800 CPU: 9044.02, 0.00300452/step Wall: 9044.02, 0.00300452/step, 1.66684 hours remaining, 209.917969 MB of memory in use. ENERGY: 3002800 733.4851 2089.7029 1958.5288 110.0021 -206833.9157 17929.9844 0.0000 0.0000 34332.8094 -149679.4031 299.8370 -184012.2124 -149582.0059 297.9924 -116.7209 -80.7598 558571.0348 -6.8202 -6.5645 PRESSURE: 3003000 -45.7027 8.68522 -10.9156 8.68657 291.861 -27.5085 -10.9165 -27.508 176.271 GPRESSURE: 3003000 6.98155 10.7513 60.782 64.9846 280.189 -12.535 -41.1472 -97.495 246.21 PRESSAVG: 3003000 -37.9297 8.80164 7.0928 8.80171 66.9816 29.7761 7.09288 29.7762 -9.52836 GPRESSAVG: 3003000 -38.3712 9.61941 7.87629 7.0208 67.0619 29.4245 7.29976 28.9646 -9.58772 TIMING: 3003000 CPU: 9044.63, 0.00301951/step Wall: 9044.63, 0.00301951/step, 1.67499 hours remaining, 209.917969 MB of memory in use. ENERGY: 3003000 725.9521 2021.0164 1942.9304 116.3626 -206588.5310 18132.1864 0.0000 0.0000 34044.6189 -149605.4643 297.3201 -183650.0832 -149504.4244 298.6755 140.8098 177.7934 557407.4480 6.5078 6.3676 PRESSURE: 3003200 -45.3864 -68.6192 -89.6455 -68.6193 -292.321 128.089 -89.6452 128.09 -259.914 GPRESSURE: 3003200 -23.6294 -132.019 -82.6251 -82.2117 -241.687 133.969 -77.8028 105.288 -244.7 PRESSAVG: 3003200 58.9445 17.2193 -33.431 17.2193 5.11242 11.4045 -33.431 11.4045 -38.5711 GPRESSAVG: 3003200 58.7676 15.1414 -34.0587 15.8424 4.20298 10.9372 -30.8009 11.1072 -38.0315 TIMING: 3003200 CPU: 9045.23, 0.00303716/step Wall: 9045.23, 0.00303716/step, 1.68461 hours remaining, 209.917969 MB of memory in use. ENERGY: 3003200 781.9095 2041.9218 1975.7413 104.1616 -206228.7887 17694.8343 0.0000 0.0000 34172.1726 -149458.0475 298.4341 -183630.2201 -149359.3659 297.9581 -199.2069 -170.0056 557986.7214 8.4953 8.3130 PRESSURE: 3003400 -313.426 162.419 -93.8076 162.418 -413.411 -25.917 -93.8079 -25.9176 45.5424 GPRESSURE: 3003400 -217.028 159.513 -46.011 171.865 -336.748 -51.7571 -103.319 19.6801 -29.6264 PRESSAVG: 3003400 56.1597 -6.07006 2.611 -6.07007 -42.8518 -31.2419 2.61099 -31.242 -22.6042 GPRESSAVG: 3003400 57.2154 -6.04773 2.24845 -6.02135 -42.5359 -32.4267 1.64744 -29.1632 -24.5496 TIMING: 3003400 CPU: 9045.84, 0.00303672/step Wall: 9045.84, 0.00303672/step, 1.6842 hours remaining, 209.917969 MB of memory in use. ENERGY: 3003400 760.4618 2095.0896 1950.0915 121.1187 -205974.3478 17502.7993 0.0000 0.0000 34147.2110 -149397.5758 298.2161 -183544.7868 -149297.8788 298.4504 -227.0980 -194.4676 556498.0374 -3.0988 -3.2900 PRESSURE: 3003600 16.679 136.897 -74.7828 136.897 -117.522 -84.5414 -74.7824 -84.5415 -169.25 GPRESSURE: 3003600 58.949 70.1472 4.84562 182.136 -125.743 -111.097 -50.6149 -137.076 -102.333 PRESSAVG: 3003600 15.9955 12.117 1.52879 12.117 -27.9987 -17.2873 1.52873 -17.2872 34.8085 GPRESSAVG: 3003600 13.9866 11.9957 2.27812 14.5153 -27.1998 -15.5955 1.14338 -17.0038 36.4891 TIMING: 3003600 CPU: 9046.45, 0.0030248/step Wall: 9046.45, 0.0030248/step, 1.67742 hours remaining, 209.917969 MB of memory in use. ENERGY: 3003600 698.4059 2083.5223 1930.4017 117.7150 -205844.1823 17430.3123 0.0000 0.0000 34299.0501 -149284.7749 299.5421 -183583.8250 -149185.9666 299.2306 -90.0309 -56.3758 555977.2044 7.6018 7.7586 PRESSURE: 3003800 58.5491 -215.145 -125.321 -215.143 -38.9616 -143.055 -125.319 -143.057 255.475 GPRESSURE: 3003800 104.255 -209.644 -86.7344 -288.269 -2.36555 -107.697 -106.99 -159.549 288.023 PRESSAVG: 3003800 -23.572 -12.8602 -55.1446 -12.8603 20.9062 -0.392506 -55.1446 -0.392558 13.9147 GPRESSAVG: 3003800 -23.8715 -13.6293 -55.7573 -11.326 20.8934 2.57186 -53.8308 -2.05358 15.1732 TIMING: 3003800 CPU: 9047.05, 0.00299757/step Wall: 9047.05, 0.00299757/step, 1.66215 hours remaining, 209.917969 MB of memory in use. ENERGY: 3003800 719.9764 2094.0432 1934.6571 117.5981 -206573.2813 18109.7731 0.0000 0.0000 34232.5017 -149364.7316 298.9610 -183597.2333 -149263.6899 298.8378 91.6876 129.9706 556689.2477 3.7496 4.0651 PRESSURE: 3004000 -203.712 42.2179 -139.54 42.2163 -250.343 -125.144 -139.541 -125.145 -211.238 GPRESSURE: 3004000 -198.166 -1.74914 -217.375 53.0982 -206.056 -144.998 -137.089 -119.982 -163.049 PRESSAVG: 3004000 -16.6095 -14.8734 5.00652 -14.8734 -21.1806 -52.9012 5.00658 -52.9012 53.1181 GPRESSAVG: 3004000 -14.8973 -15.3662 3.70475 -18.9726 -21.9507 -56.586 4.10778 -51.9845 52.1559 TIMING: 3004000 CPU: 9047.64, 0.00299416/step Wall: 9047.64, 0.00299416/step, 1.6601 hours remaining, 209.917969 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: 3004000 765.5857 2092.3421 1930.9084 115.6440 -205753.6366 17365.6245 0.0000 0.0000 34212.6785 -149270.8535 298.7878 -183483.5320 -149171.1316 299.2581 -221.7643 -189.0901 557963.3385 5.1093 5.1026 PRESSURE: 3004200 173.202 -125.928 -107.876 -125.928 7.48277 168.054 -107.877 168.055 -31.0816 GPRESSURE: 3004200 203.697 -151.551 -92.7807 -158.38 -23.9121 174.905 -113.904 157.623 74.7874 PRESSAVG: 3004200 -37.2197 22.7245 -12.2488 22.7246 46.5197 24.6953 -12.2487 24.6953 19.3951 GPRESSAVG: 3004200 -36.515 24.8214 -11.9294 23.4039 45.8594 25.2702 -12.6576 24.2082 19.6226 TIMING: 3004200 CPU: 9048.24, 0.00296849/step Wall: 9048.24, 0.00296849/step, 1.6457 hours remaining, 209.917969 MB of memory in use. ENERGY: 3004200 747.4374 2076.9750 1934.9774 107.1825 -206512.5379 17996.0466 0.0000 0.0000 34329.7259 -149320.1931 299.8100 -183649.9190 -149216.5143 299.4081 49.8678 84.8575 557495.7232 9.5650 9.6557 LDB: ============= START OF LOAD BALANCING ============== 9051.75 LDB: ============== END OF LOAD BALANCING =============== 9051.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9051.75 LDB: ============= START OF LOAD BALANCING ============== 9052.05 LDB: Largest compute 4794 load 0.027061 is 22.9% of average load 0.118069 LDB: Average compute 0.001724 is 1.5% of average load 0.118069 LDB: TIME 9052.05 LOAD: AVG 0.118069 MAX 0.206195 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.395 MB LDB: TIME 9052.05 LOAD: AVG 0.118069 MAX 0.206195 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.453 MB LDB: TIME 9052.05 LOAD: AVG 0.118069 MAX 0.206195 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.453 MB LDB: ============== END OF LOAD BALANCING =============== 9052.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9052.06 PRESSURE: 3004400 -106.834 -106.586 170.527 -106.588 83.7392 55.7445 170.527 55.7468 -255.681 GPRESSURE: 3004400 -91.524 -89.9171 129.936 -35.4162 116.738 16.1879 156.117 104.707 -203.843 PRESSAVG: 3004400 -33.7908 -12.8521 -11.1628 -12.8522 -32.2179 16.3867 -11.1628 16.3867 82.1452 GPRESSAVG: 3004400 -34.9804 -13.0897 -11.429 -10.8609 -31.1686 14.6577 -11.4406 17.2659 82.7184 TIMING: 3004400 CPU: 9048.84, 0.00302799/step Wall: 9048.84, 0.00302799/step, 1.67852 hours remaining, 210.445312 MB of memory in use. ENERGY: 3004400 716.3086 2062.7112 1929.3863 122.5741 -205644.5360 17554.1828 0.0000 0.0000 34057.2260 -149202.1470 297.4302 -183259.3730 -149098.3895 299.0927 -92.9251 -59.5428 557928.2969 5.3788 5.5231 PRESSURE: 3004600 -142.661 76.276 -78.2042 76.2753 -197.767 83.1424 -78.2048 83.1418 -172.363 GPRESSURE: 3004600 -103.025 34.159 -46.6325 141.831 -154.143 130.507 -76.0152 42.2939 -159.883 PRESSAVG: 3004600 -45.6495 44.4588 17.8346 44.4588 -17.2387 -41.8499 17.8345 -41.8499 42.7245 GPRESSAVG: 3004600 -45.5851 43.9587 17.2971 44.6635 -17.1077 -37.0855 19.3009 -43.0593 42.4213 TIMING: 3004600 CPU: 9049.44, 0.00300178/step Wall: 9049.44, 0.00300178/step, 1.66382 hours remaining, 210.515625 MB of memory in use. ENERGY: 3004600 766.6554 2099.3339 1938.5595 121.5786 -205361.9507 17278.5419 0.0000 0.0000 34148.2936 -149008.9878 298.2255 -183157.2814 -148914.9697 299.9579 -170.9302 -139.0169 557195.6763 -6.7212 -6.7571 PRESSURE: 3004800 3.77188 -52.2758 -57.7754 -52.2757 227.326 -73.0845 -57.7762 -73.0842 -214.868 GPRESSURE: 3004800 67.5195 -19.3272 -86.7016 -44.4922 197.536 -12.8369 -17.6356 -166.291 -155.834 PRESSAVG: 3004800 30.2799 20.5875 36.2993 20.5875 -23.7704 -33.1473 36.2992 -33.1472 1.12059 GPRESSAVG: 3004800 30.4472 20.9888 37.4776 19.0339 -24.0204 -35.8013 36.4178 -32.9591 1.16925 TIMING: 3004800 CPU: 9050.04, 0.00300506/step Wall: 9050.04, 0.00300506/step, 1.66547 hours remaining, 210.515625 MB of memory in use. ENERGY: 3004800 717.0174 2073.3000 1941.7280 114.2579 -205714.3742 17725.5970 0.0000 0.0000 34139.7984 -149002.6756 298.1514 -183142.4740 -148908.6833 299.5084 5.4099 36.4073 558398.8252 2.5434 2.5320 PRESSURE: 3005000 200.192 -143.677 -59.9103 -143.678 -61.9253 -51.053 -59.9109 -51.0535 -108.852 GPRESSURE: 3005000 261.687 -98.177 -62.0093 -169.045 -71.5871 -62.2714 -78.5583 12.59 -62.0715 PRESSAVG: 3005000 28.3848 -5.86788 30.8912 -5.86787 -72.1487 -31.1274 30.8912 -31.1274 9.96596 GPRESSAVG: 3005000 29.1923 -5.05913 31.6983 -5.47068 -72.9238 -31.2083 30.3854 -30.6665 9.92833 TIMING: 3005000 CPU: 9050.64, 0.00297992/step Wall: 9050.64, 0.00297992/step, 1.65137 hours remaining, 210.515625 MB of memory in use. ENERGY: 3005000 726.8278 2014.5424 1952.9849 110.7810 -206046.1035 17862.1737 0.0000 0.0000 34465.4884 -148913.3053 300.9957 -183378.7937 -148817.3391 299.4124 9.8051 42.6761 558187.9262 -11.2660 -11.2677 PRESSURE: 3005200 -33.1573 -63.8596 -160.426 -63.8601 -48.9198 -40.7077 -160.424 -40.7063 17.0583 GPRESSURE: 3005200 -29.7883 -5.00251 -184.567 -122.758 10.7531 -19.1512 -183.879 19.194 40.3949 PRESSAVG: 3005200 32.9927 -19.2295 -18.0818 -19.2295 -37.4502 -10.6011 -18.0818 -10.6011 32.1566 GPRESSAVG: 3005200 32.7667 -20.8088 -16.3944 -19.8443 -36.6546 -10.0198 -19.329 -8.34713 31.5856 TIMING: 3005200 CPU: 9051.24, 0.00298259/step Wall: 9051.24, 0.00298259/step, 1.65268 hours remaining, 210.515625 MB of memory in use. ENERGY: 3005200 726.3417 2057.8656 1912.6526 117.2277 -205729.0777 17777.2817 0.0000 0.0000 34277.3645 -148860.3439 299.3527 -183137.7084 -148762.5365 299.5796 -21.6729 7.1199 559633.6827 9.2330 9.2326 PRESSURE: 3005400 -158.988 70.0606 -109.907 70.0607 -312.779 77.2948 -109.908 77.2958 -36.3934 GPRESSURE: 3005400 -112.609 105.275 -68.5891 -6.58037 -316.526 80.2144 -125.901 20.5122 34.7977 PRESSAVG: 3005400 44.4769 16.1327 -31.6182 16.1327 -36.2628 1.05784 -31.6182 1.05793 -25.1869 GPRESSAVG: 3005400 44.7239 16.674 -32.539 17.2427 -36.3796 2.04198 -31.0356 -2.34765 -24.8227 TIMING: 3005400 CPU: 9051.83, 0.00295887/step Wall: 9051.83, 0.00295887/step, 1.63938 hours remaining, 210.515625 MB of memory in use. ENERGY: 3005400 770.9704 2085.5331 1937.7956 105.1506 -205506.2177 17576.9833 0.0000 0.0000 34423.6872 -148606.0975 300.6306 -183029.7848 -148512.6804 300.4420 -169.3866 -131.4460 559363.7100 -5.6576 -5.4928 PRESSURE: 3005600 -290.6 187.748 55.3946 187.746 -398.08 59.1774 55.3944 59.1759 -233.785 GPRESSURE: 3005600 -256.989 72.7476 53.4606 188.165 -385.702 32.541 72.1882 47.5578 -178.951 PRESSAVG: 3005600 -31.3304 49.7858 6.68076 49.7857 -36.067 -3.46271 6.68072 -3.46269 49.4717 GPRESSAVG: 3005600 -31.8336 49.5003 7.76103 50.8891 -35.4385 -1.92582 5.49134 -4.17697 49.3164 TIMING: 3005600 CPU: 9052.42, 0.00296533/step Wall: 9052.42, 0.00296533/step, 1.64279 hours remaining, 210.515625 MB of memory in use. ENERGY: 3005600 762.1494 2036.6005 1929.2347 104.6923 -205129.0768 17362.6507 0.0000 0.0000 34139.2810 -148794.4684 298.1468 -182933.7494 -148703.3295 300.0360 -307.4884 -273.8808 557893.6412 -5.9753 -5.9852 PRESSURE: 3005800 -11.8481 161.205 32.7913 161.205 -156.306 -10.5101 32.7924 -10.5101 -305.824 GPRESSURE: 3005800 22.9053 92.6325 57.7989 239.474 -80.1038 53.4543 33.1975 -4.28708 -322.065 PRESSAVG: 3005800 70.6473 28.4374 13.8416 28.4374 -15.4339 26.627 13.8416 26.627 -79.0571 GPRESSAVG: 3005800 70.0273 28.6932 10.3761 28.9117 -15.4197 22.7836 15.269 28.5771 -78.79 TIMING: 3005800 CPU: 9053.01, 0.00296262/step Wall: 9053.01, 0.00296262/step, 1.64112 hours remaining, 210.515625 MB of memory in use. ENERGY: 3005800 759.7683 1977.1885 1938.5388 107.0760 -205754.1220 17623.6248 0.0000 0.0000 34313.8974 -149034.0283 299.6718 -183347.9256 -148937.3461 299.7439 -157.9928 -126.4210 558267.4396 -7.9479 -8.0608 PRESSURE: 3006000 -236.258 -167.528 -12.0074 -167.528 -374.776 -60.1767 -12.0065 -60.1746 34.8702 GPRESSURE: 3006000 -159.813 -122.365 28.0815 -209.482 -345.985 -4.41954 -34.7171 -47.7129 13.6892 PRESSAVG: 3006000 46.9967 -2.06666 12.0314 -2.06675 -21.4662 38.238 12.0314 38.2381 11.8302 GPRESSAVG: 3006000 47.9128 -1.0189 14.797 -3.111 -22.0786 40.246 11.0184 37.0914 11.9274 TIMING: 3006000 CPU: 9053.61, 0.00298641/step Wall: 9053.61, 0.00298641/step, 1.65414 hours remaining, 210.515625 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: 3006000 774.1112 2021.7096 1960.0114 107.1607 -205467.6751 17584.5412 0.0000 0.0000 34208.6139 -148811.5270 298.7523 -183020.1409 -148716.0770 299.6550 -192.0546 -164.0362 559532.1227 12.4536 12.5872 PRESSURE: 3006200 -72.0134 5.71367 113.087 5.71521 -29.5687 117.85 113.087 117.85 -253.931 GPRESSURE: 3006200 -53.3765 53.4661 147.89 -92.1544 17.232 121.496 80.4788 129.579 -217.944 PRESSAVG: 3006200 39.7944 16.5695 15.369 16.5695 -40.9347 1.11785 15.369 1.11791 9.60969 GPRESSAVG: 3006200 39.0015 17.227 12.7726 14.3949 -40.2278 0.0510275 17.5649 2.58395 9.35134 TIMING: 3006200 CPU: 9054.22, 0.00303479/step Wall: 9054.22, 0.00303479/step, 1.68077 hours remaining, 210.515625 MB of memory in use. ENERGY: 3006200 771.5123 2043.8101 1909.6347 103.5475 -205978.3395 17776.6741 0.0000 0.0000 34415.0971 -148958.0638 300.5556 -183373.1608 -148868.7208 299.6039 -118.5044 -84.6961 556714.6091 2.8231 2.7084 PRESSURE: 3006400 -86.7216 -9.35141 -3.23944 -9.35186 -178.194 164.879 -3.23829 164.88 -259.965 GPRESSURE: 3006400 -50.6266 -62.0994 -22.6378 69.7836 -167.077 190.552 -37.0319 140.317 -213.555 PRESSAVG: 3006400 -63.5963 27.0951 -59.5164 27.0952 -3.70583 49.2183 -59.5164 49.2184 67.1225 GPRESSAVG: 3006400 -63.5685 26.3096 -55.5405 29.133 -4.96889 50.5681 -60.8426 48.2599 67.6194 TIMING: 3006400 CPU: 9054.82, 0.00298386/step Wall: 9054.82, 0.00298386/step, 1.6524 hours remaining, 210.515625 MB of memory in use. ENERGY: 3006400 764.9773 2051.5589 1927.7573 123.5055 -205887.3169 17435.5459 0.0000 0.0000 34645.8656 -148938.1064 302.5710 -183583.9720 -148849.9009 300.4863 -174.9600 -143.7530 557669.2626 -0.0599 -0.3060 PRESSURE: 3006600 231.23 160.063 91.8155 160.065 -54.5899 117 91.8155 116.999 53.1565 GPRESSURE: 3006600 217.304 172.878 97.9009 113.457 3.03742 126.5 116.409 154.651 113.519 PRESSAVG: 3006600 -56.0194 -2.40089 -22.1562 -2.40084 53.8431 17.4354 -22.1562 17.4353 45.3072 GPRESSAVG: 3006600 -56.6856 -2.08465 -24.2062 -4.31187 55.4228 17.6367 -21.6029 16.5788 44.8148 TIMING: 3006600 CPU: 9055.42, 0.00299682/step Wall: 9055.42, 0.00299682/step, 1.65941 hours remaining, 210.515625 MB of memory in use. ENERGY: 3006600 706.2361 2022.2119 1938.1782 105.0444 -205775.6335 17670.1648 0.0000 0.0000 34268.6823 -149065.1157 299.2769 -183333.7980 -148968.6659 299.4562 76.5990 111.2867 555789.7478 14.3770 14.5174 PRESSURE: 3006800 -247.371 -93.6846 -14.1491 -93.6841 -194.104 -212.826 -14.149 -212.825 164.411 GPRESSURE: 3006800 -237.525 -89.4398 -26.6432 -89.915 -209.648 -116.59 -22.4168 -160.159 252.398 PRESSAVG: 3006800 -112.78 73.6662 -37.9513 73.6663 7.34296 12.0167 -37.9512 12.0168 61.6476 GPRESSAVG: 3006800 -111.851 73.8995 -37.1505 74.978 6.04746 13.5613 -37.9757 12.9229 61.9927 TIMING: 3006800 CPU: 9056.01, 0.00299929/step Wall: 9056.01, 0.00299929/step, 1.66061 hours remaining, 210.515625 MB of memory in use. ENERGY: 3006800 717.0268 2039.1563 1929.1178 115.7312 -205847.9373 17545.1941 0.0000 0.0000 34247.3592 -149254.3519 299.0907 -183501.7111 -149156.2447 298.7600 -92.3547 -64.9249 558047.5997 -14.5964 -14.6036 PRESSURE: 3007000 196.537 25.8765 -11.2705 25.877 42.2064 -73.7206 -11.2706 -73.7191 35.7219 GPRESSURE: 3007000 247.848 -81.6296 58.6831 90.9304 66.477 -48.813 -44.718 -82.6345 58.3838 PRESSAVG: 3007000 -24.2034 -47.593 14.9573 -47.5931 77.0785 13.4405 14.9572 13.4405 16.8944 GPRESSAVG: 3007000 -25.2455 -46.6576 13.5038 -46.2994 77.3525 10.7909 15.6892 14.2081 17.3336 TIMING: 3007000 CPU: 9056.62, 0.00301679/step Wall: 9056.62, 0.00301679/step, 1.67013 hours remaining, 210.515625 MB of memory in use. ENERGY: 3007000 738.5503 2006.0307 1949.5923 122.9956 -206358.8453 18038.1935 0.0000 0.0000 34339.6278 -149163.8551 299.8965 -183503.4829 -149067.1253 299.4711 91.4883 124.2362 557511.9784 23.2565 23.1469 PRESSURE: 3007200 -201.27 24.7129 1.52228 24.7128 -206.376 274.632 1.52241 274.631 -229.315 GPRESSURE: 3007200 -132.372 18.615 58.9959 82.0155 -217.677 242.462 -45.7226 237.318 -199.992 PRESSAVG: 3007200 7.11964 -3.91266 22.2725 -3.91262 -23.7962 43.3184 22.2724 43.3184 -11.9984 GPRESSAVG: 3007200 7.25488 -4.83522 22.9684 -6.11029 -23.1335 45.0808 23.0537 42.676 -13.0242 TIMING: 3007200 CPU: 9057.22, 0.00301284/step Wall: 9057.22, 0.00301284/step, 1.66777 hours remaining, 210.515625 MB of memory in use. ENERGY: 3007200 743.9763 2120.2983 1884.6214 98.8009 -205746.3292 17567.2934 0.0000 0.0000 34177.7997 -149153.5391 298.4832 -183331.3388 -149054.8631 299.9807 -212.3200 -183.3468 557338.6429 -9.5583 -9.6343 PRESSURE: 3007400 -200.842 212.381 -129.484 212.382 131.785 -51.0732 -129.485 -51.0709 -129.275 GPRESSURE: 3007400 -168.889 155.996 -99.2238 123.765 188.187 7.53223 -104.989 -34.6161 -129.847 PRESSAVG: 3007400 -33.0534 6.24286 -54.233 6.24296 50.9988 30.1911 -54.2329 30.1912 -16.9491 GPRESSAVG: 3007400 -32.249 6.4817 -54.1328 9.81817 50.343 27.1827 -54.9136 31.3627 -16.9375 TIMING: 3007400 CPU: 9057.82, 0.00299953/step Wall: 9057.82, 0.00299953/step, 1.66024 hours remaining, 210.515625 MB of memory in use. ENERGY: 3007400 756.4545 2045.2800 1919.9150 121.1592 -205675.3802 17590.0107 0.0000 0.0000 34352.0370 -148890.5239 300.0049 -183242.5609 -148803.6977 299.9530 -66.1108 -36.8499 556545.9617 0.3321 0.3855 PRESSURE: 3007600 -10.4818 -170.731 -102.908 -170.73 -159.581 -32.8269 -102.908 -32.8271 -143.891 GPRESSURE: 3007600 36.3304 -96.8086 -45.1359 -303.245 -125.748 -22.1482 -200.819 -55.9558 -109.57 PRESSAVG: 3007600 -5.68973 -1.662 -32.6924 -1.66195 -51.0731 12.836 -32.6923 12.8359 55.9722 GPRESSAVG: 3007600 -6.16027 -1.6522 -30.9568 -3.51487 -51.3714 12.7077 -33.414 13.0126 56.2134 TIMING: 3007600 CPU: 9058.42, 0.00300379/step Wall: 9058.42, 0.00300379/step, 1.66243 hours remaining, 210.515625 MB of memory in use. ENERGY: 3007600 756.2497 2060.1707 1941.1762 107.7315 -206112.7182 17740.7851 0.0000 0.0000 34288.4659 -149218.1391 299.4497 -183506.6050 -149118.3373 299.8194 -104.6512 -66.3294 556375.8543 -0.2635 -0.4394 PRESSURE: 3007800 -57.6316 -11.3614 -133.684 -11.361 252.345 -58.6562 -133.684 -58.6561 132.012 GPRESSURE: 3007800 -41.3916 43.5848 -125.893 -9.11214 272.768 -24.62 -173.634 -35.1804 204.233 PRESSAVG: 3007800 8.5228 -41.6873 -57.6165 -41.6872 23.8222 -3.44531 -57.6164 -3.44525 -11.0219 GPRESSAVG: 3007800 8.45008 -41.9545 -58.0067 -43.0105 24.6539 -1.61283 -57.8936 -4.72288 -11.9343 TIMING: 3007800 CPU: 9059.02, 0.00299692/step Wall: 9059.02, 0.00299692/step, 1.65846 hours remaining, 210.515625 MB of memory in use. ENERGY: 3007800 727.1439 2056.7810 1924.9146 106.9409 -206094.3572 17937.8037 0.0000 0.0000 34032.8962 -149307.8771 297.2177 -183340.7733 -149213.0584 299.2743 108.9083 145.2030 558269.2139 7.1077 7.0565 PRESSURE: 3008000 -238.951 -109.373 94.6311 -109.373 -38.871 -106.818 94.6304 -106.819 -39.5582 GPRESSURE: 3008000 -166.019 -100.318 52.1698 -111.998 17.8879 -93.7241 85.6873 -169.567 -69.4545 PRESSAVG: 3008000 -3.0286 -17.7792 21.9928 -17.7792 28.2627 -17.8344 21.9927 -17.8343 -23.0686 GPRESSAVG: 3008000 -3.46567 -16.958 20.0308 -17.5976 27.1122 -18.5644 22.2371 -15.998 -21.9344 TIMING: 3008000 CPU: 9059.62, 0.0030151/step Wall: 9059.62, 0.0030151/step, 1.66836 hours remaining, 210.515625 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: 3008000 738.3914 2075.3143 1949.1191 115.6903 -205686.3618 17535.2658 0.0000 0.0000 34024.5136 -149248.0674 297.1445 -183272.5809 -149161.2319 298.5526 -105.7933 -72.5285 557485.5150 0.7218 0.5707 PRESSURE: 3008200 40.0565 -18.7435 -14.7267 -18.7433 142.627 118.96 -14.7264 118.959 19.5884 GPRESSURE: 3008200 46.5741 -16.9705 19.3165 5.31755 203.705 98.7001 -5.3643 155.999 60.0855 PRESSAVG: 3008200 17.7392 37.6079 -21.2368 37.608 18.9468 5.82405 -21.2368 5.82402 -50.0634 GPRESSAVG: 3008200 18.4044 38.2849 -20.3436 35.6004 19.7755 7.15504 -22.0971 5.18731 -51.8391 TIMING: 3008200 CPU: 9060.22, 0.00298061/step Wall: 9060.22, 0.00298061/step, 1.6491 hours remaining, 210.515625 MB of memory in use. ENERGY: 3008200 739.0212 2145.0695 1911.3211 111.3833 -206304.3920 17853.3164 0.0000 0.0000 34160.8914 -149383.3893 298.3356 -183544.2806 -149287.0002 298.3372 67.4238 103.4549 556864.7125 -4.4592 -4.5531 LDB: ============= START OF LOAD BALANCING ============== 9063.74 LDB: ============== END OF LOAD BALANCING =============== 9063.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9063.74 LDB: ============= START OF LOAD BALANCING ============== 9064.03 LDB: Largest compute 4794 load 0.027102 is 23.0% of average load 0.118030 LDB: Average compute 0.001728 is 1.5% of average load 0.118030 LDB: TIME 9064.04 LOAD: AVG 0.11803 MAX 0.203872 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.758 MB LDB: TIME 9064.04 LOAD: AVG 0.11803 MAX 0.203872 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.758 MB LDB: TIME 9064.04 LOAD: AVG 0.11803 MAX 0.203872 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.758 MB LDB: ============== END OF LOAD BALANCING =============== 9064.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9064.04 PRESSURE: 3008400 -50.8748 -83.5638 -88.3083 -83.5641 -30.1055 149.599 -88.3069 149.599 53.2617 GPRESSURE: 3008400 -9.87688 -90.6756 -33.27 -103.145 7.91973 208.415 -142.4 79.9944 60.3199 PRESSAVG: 3008400 40.3092 7.04103 -10.7709 7.04107 17.4132 38.7947 -10.7708 38.7947 -51.4911 GPRESSAVG: 3008400 40.869 6.74723 -8.40107 7.82157 15.8396 38.2068 -9.44249 37.1568 -50.3614 TIMING: 3008400 CPU: 9060.83, 0.00303922/step Wall: 9060.83, 0.00303922/step, 1.68136 hours remaining, 209.996094 MB of memory in use. ENERGY: 3008400 706.2285 2098.5036 1946.3828 111.8388 -206465.9080 17941.3837 0.0000 0.0000 34366.4607 -149295.1099 300.1308 -183661.5706 -149192.8969 299.0731 -9.2395 19.4543 557142.5710 2.0771 2.1157 PRESSURE: 3008600 121.127 82.4654 -8.64583 82.4654 -32.357 -86.468 -8.64609 -86.4678 -199.808 GPRESSURE: 3008600 214.171 14.1929 15.7304 127.81 -44.8278 -155.987 -40.2397 -77.1604 -196.15 PRESSAVG: 3008600 -38.594 35.5292 -35.0503 35.5293 11.8038 74.6629 -35.0502 74.6631 -9.5411 GPRESSAVG: 3008600 -38.31 35.5515 -37.7964 37.7428 12.5593 73.1778 -35.7107 77.8069 -10.7622 TIMING: 3008600 CPU: 9061.42, 0.00295581/step Wall: 9061.42, 0.00295581/step, 1.63506 hours remaining, 209.996094 MB of memory in use. ENERGY: 3008600 718.6583 2092.1696 1920.2478 116.9893 -206125.2322 17811.1944 0.0000 0.0000 34119.8187 -149346.1540 297.9769 -183465.9728 -149247.0590 299.2210 -37.0127 -8.9356 557994.1644 -12.1104 -12.1710 PRESSURE: 3008800 -220.772 -24.1726 -178.034 -24.1718 134.742 -24.9616 -178.035 -24.9609 77.0695 GPRESSURE: 3008800 -122.389 26.6471 -205.623 -91.9813 119.969 35.9194 -166.225 20.1961 91.4296 PRESSAVG: 3008800 9.16386 45.9948 -0.0792919 45.9949 79.9086 -2.71712 -0.0792569 -2.71698 -66.5155 GPRESSAVG: 3008800 7.50292 46.3554 -0.176925 43.8027 78.9753 -1.8815 0.569307 -5.28115 -64.4861 TIMING: 3008800 CPU: 9062.01, 0.00297174/step Wall: 9062.01, 0.00297174/step, 1.6437 hours remaining, 209.996094 MB of memory in use. ENERGY: 3008800 740.3382 2061.9558 1915.3882 103.2170 -206248.4041 17782.1904 0.0000 0.0000 34337.6920 -149307.6224 299.8796 -183645.3144 -149204.0482 299.4960 -2.9868 29.6700 555556.8005 7.5190 7.3307 PRESSURE: 3009000 -115.397 91.9954 82.4972 91.9949 -53.2383 -6.71251 82.4986 -6.71183 -169.958 GPRESSURE: 3009000 -80.8448 124.265 62.7027 53.1887 7.03071 -6.1886 23.8759 58.3943 -160.284 PRESSAVG: 3009000 -11.9617 -5.19881 -12.904 -5.19887 76.8008 -12.8135 -12.9041 -12.8137 -56.1367 GPRESSAVG: 3009000 -10.7426 -7.88301 -13.2464 -3.4266 77.097 -14.2166 -12.3945 -10.3653 -57.3526 TIMING: 3009000 CPU: 9062.61, 0.00298799/step Wall: 9062.61, 0.00298799/step, 1.65253 hours remaining, 209.996094 MB of memory in use. ENERGY: 3009000 753.5718 2065.4332 1920.9578 107.9525 -206440.7614 17687.5505 0.0000 0.0000 34376.8479 -149528.4477 300.2216 -183905.2956 -149429.1800 298.6581 -112.8646 -78.0328 556182.3151 2.9008 3.0006 PRESSURE: 3009200 -145.921 -67.8569 23.2742 -67.8559 -282.111 -139.741 23.2762 -139.742 32.1227 GPRESSURE: 3009200 -118.49 -29.6011 -31.8948 -62.3811 -287.084 -78.6156 34.8688 -176.719 109.143 PRESSAVG: 3009200 -2.45894 -10.573 -49.8272 -10.5731 17.7437 -20.9651 -49.8272 -20.9651 -31.3515 GPRESSAVG: 3009200 -3.58826 -8.10493 -50.668 -10.737 17.8587 -19.5372 -50.5736 -21.2357 -30.2648 TIMING: 3009200 CPU: 9063.21, 0.00297322/step Wall: 9063.21, 0.00297322/step, 1.64419 hours remaining, 209.996094 MB of memory in use. ENERGY: 3009200 734.0657 2075.8812 1915.4244 111.0093 -206083.1165 17610.7620 0.0000 0.0000 34137.1856 -149498.7883 298.1285 -183635.9739 -149396.6021 298.7910 -131.9700 -98.8104 556685.9336 -5.3556 -5.3314 PRESSURE: 3009400 -229.422 -119.276 15.4269 -119.274 -153.94 141.268 15.4284 141.268 -365.535 GPRESSURE: 3009400 -218.143 -45.4896 76.3639 -128.869 -93.369 105.251 -71.0413 125.05 -347.665 PRESSAVG: 3009400 28.9491 22.3704 -25.839 22.3705 -12.975 -19.434 -25.8391 -19.4341 10.6033 GPRESSAVG: 3009400 29.6871 22.0624 -25.7734 23.4437 -12.7224 -21.7247 -24.0311 -21.7749 9.60583 TIMING: 3009400 CPU: 9063.8, 0.00299635/step Wall: 9063.8, 0.00299635/step, 1.65682 hours remaining, 209.996094 MB of memory in use. ENERGY: 3009400 788.2889 2027.3312 1946.4039 110.2542 -206072.8854 17421.9040 0.0000 0.0000 34246.7599 -149531.9432 299.0855 -183778.7031 -149434.0870 298.9689 -249.6322 -219.7256 557463.7447 8.8591 8.8569 PRESSURE: 3009600 73.8779 26.5935 -61.3562 26.5932 -192.229 -78.105 -61.3569 -78.1068 86.7906 GPRESSURE: 3009600 141.966 -86.9327 -123.496 99.4614 -211.173 -141.888 -71.3357 -137.803 145.096 PRESSAVG: 3009600 8.84714 12.0815 -11.4267 12.0816 -19.7125 -30.5967 -11.4268 -30.5966 6.44767 GPRESSAVG: 3009600 8.94135 12.0622 -10.5921 10.0958 -19.7877 -24.7241 -11.8377 -31.3435 6.81489 TIMING: 3009600 CPU: 9064.4, 0.00298722/step Wall: 9064.4, 0.00298722/step, 1.6516 hours remaining, 209.996094 MB of memory in use. ENERGY: 3009600 745.8255 2063.4790 1950.5904 110.9646 -206452.3100 17799.3430 0.0000 0.0000 34095.9907 -149686.1168 297.7688 -183782.1076 -149588.8105 298.3079 -10.5200 25.2962 554321.1578 -1.4726 -1.3438 PRESSURE: 3009800 -201.62 94.6155 103.93 94.6162 58.1302 10.122 103.931 10.1215 192.689 GPRESSURE: 3009800 -119.249 113.112 146.073 136.71 61.1152 16.9184 201.113 -29.8056 204.662 PRESSAVG: 3009800 -37.408 1.64413 -11.1347 1.64411 -9.69539 -1.17517 -11.1347 -1.17514 56.9571 GPRESSAVG: 3009800 -37.0063 0.632581 -11.0327 4.22824 -9.42936 -4.24958 -13.4607 -0.181554 56.5941 TIMING: 3009800 CPU: 9065, 0.00297919/step Wall: 9065, 0.00297919/step, 1.64699 hours remaining, 209.996094 MB of memory in use. ENERGY: 3009800 755.8907 2017.9350 1976.6895 110.9678 -206678.3673 17974.9057 0.0000 0.0000 34203.6849 -149638.2938 298.7093 -183841.9786 -149542.7571 297.7368 16.3996 48.8428 555846.8308 3.2845 3.3862 PRESSURE: 3010000 130.717 -23.8559 47.2518 -23.8564 55.5019 1.65725 47.2513 1.65895 -51.3926 GPRESSURE: 3010000 116.924 -35.3471 53.6289 5.90496 134.424 86.7444 4.46558 -2.64317 -28.325 PRESSAVG: 3010000 -9.25023 60.5485 -12.2769 60.5485 41.7413 -5.16947 -12.2768 -5.16947 9.23123 GPRESSAVG: 3010000 -8.02896 63.5842 -11.5585 58.0907 41.3382 -5.18802 -12.266 -4.33105 8.23244 TIMING: 3010000 CPU: 9065.6, 0.00300184/step Wall: 9065.6, 0.00300184/step, 1.65935 hours remaining, 209.996094 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: 3010000 738.5185 2084.6069 1954.0295 117.5845 -206594.4059 17893.1321 0.0000 0.0000 34098.9654 -149707.5690 297.7947 -183806.5344 -149604.6039 298.7278 44.9420 74.3410 555379.9843 13.9074 13.8472 PRESSURE: 3010200 -71.334 -33.8999 -18.4815 -33.8994 -235.518 55.7193 -18.4807 55.7192 -530.162 GPRESSURE: 3010200 -26.3142 -10.7864 13.0626 -26.9133 -198.629 101.078 -37.1667 104.203 -517.226 PRESSAVG: 3010200 46.5373 -3.04624 -10.0131 -3.04611 16.1804 -3.74085 -10.0131 -3.74086 -47.9393 GPRESSAVG: 3010200 44.4315 -4.49651 -10.8031 -3.31892 16.3136 -2.56965 -9.53139 -5.1373 -46.1295 TIMING: 3010200 CPU: 9066.19, 0.00297274/step Wall: 9066.19, 0.00297274/step, 1.6431 hours remaining, 209.996094 MB of memory in use. ENERGY: 3010200 761.7632 2069.5450 1963.2168 117.8418 -206148.8639 17416.2071 0.0000 0.0000 34103.5661 -149716.7238 297.8349 -183820.2900 -149618.7673 298.1233 -279.0047 -247.3896 556886.8019 4.9261 4.8718 PRESSURE: 3010400 -31.3541 39.1771 36.691 39.1775 57.9829 -99.8277 36.6896 -99.8284 -266.678 GPRESSURE: 3010400 9.69375 41.9042 48.741 -54.7266 137.775 51.1631 8.63932 -140.962 -279.531 PRESSAVG: 3010400 25.1843 24.6124 -25.4786 24.6123 27.8486 21.9349 -25.4787 21.9348 -52.9502 GPRESSAVG: 3010400 25.4089 23.9243 -25.8733 25.8089 28.1026 21.0894 -25.8411 21.6259 -54.3266 TIMING: 3010400 CPU: 9066.79, 0.00296775/step Wall: 9066.79, 0.00296775/step, 1.64018 hours remaining, 209.996094 MB of memory in use. ENERGY: 3010400 717.8271 2061.0468 1896.2468 119.7480 -206174.7240 17713.5009 0.0000 0.0000 33838.6066 -149827.7478 295.5210 -183666.3544 -149734.4285 297.5219 -80.0163 -44.0210 557517.5508 0.0276 -0.2717 PRESSURE: 3010600 55.627 -169.66 -42.7725 -169.661 9.55593 -54.7952 -42.7711 -54.7942 54.3578 GPRESSURE: 3010600 87.6178 -245.221 -58.63 -176.358 27.1473 -67.5031 -55.0598 -24.6225 103.605 PRESSAVG: 3010600 8.94404 -21.5764 -30.4543 -21.5764 35.3568 5.19483 -30.4542 5.19473 -56.4386 GPRESSAVG: 3010600 9.14952 -21.454 -27.2735 -22.0047 35.0591 3.85149 -30.8201 8.03687 -56.0735 TIMING: 3010600 CPU: 9067.38, 0.00296384/step Wall: 9067.38, 0.00296384/step, 1.63785 hours remaining, 209.996094 MB of memory in use. ENERGY: 3010600 712.9309 2041.0385 1919.0297 119.4143 -206359.9189 17795.4543 0.0000 0.0000 33988.2316 -149783.8195 296.8277 -183772.0511 -149691.7017 297.9404 39.8469 72.7899 556236.8743 -4.0459 -3.9550 PRESSURE: 3010800 -73.4033 -97.9308 50.1688 -97.9312 12.4924 118.557 50.1687 118.557 5.60948 GPRESSURE: 3010800 -6.59249 -113.93 69.9836 -112.79 -16.7936 161.23 84.2886 74.0563 56.807 PRESSAVG: 3010800 -18.5691 -87.1358 -3.36794 -87.1359 10.5603 73.0747 -3.3679 73.0748 -1.76474 GPRESSAVG: 3010800 -19.8742 -87.0966 -5.54041 -86.0777 11.7123 73.469 -2.39301 72.4734 -1.69923 TIMING: 3010800 CPU: 9067.98, 0.00299598/step Wall: 9067.98, 0.00299598/step, 1.65545 hours remaining, 209.996094 MB of memory in use. ENERGY: 3010800 762.0223 2038.6323 1928.8221 112.9731 -206647.3225 18001.2740 0.0000 0.0000 34086.5361 -149717.0625 297.6862 -183803.5986 -149622.4405 297.5887 -18.4338 11.1403 556399.9933 -3.2579 -3.2870 PRESSURE: 3011000 100.94 68.5098 -19.3654 68.5096 -118.866 96.0532 -19.3661 96.0537 -211.086 GPRESSURE: 3011000 52.7331 77.1628 -101.566 24.4249 -85.7856 59.5179 34.8497 13.145 -97.0222 PRESSAVG: 3011000 -30.9362 -14.4016 12.7977 -14.4015 14.9622 20.2842 12.7977 20.2842 -11.0806 GPRESSAVG: 3011000 -29.6872 -14.4494 13.699 -14.945 13.8324 20.4007 13.0686 18.8102 -10.7453 TIMING: 3011000 CPU: 9068.58, 0.00300072/step Wall: 9068.58, 0.00300073/step, 1.6579 hours remaining, 209.996094 MB of memory in use. ENERGY: 3011000 766.2455 2050.6025 1906.8978 99.8988 -206720.0835 17863.9075 0.0000 0.0000 34171.4700 -149861.0614 298.4279 -184032.5313 -149759.7847 297.1773 -76.3371 -43.3582 557489.2643 -9.0182 -8.8667 PRESSURE: 3011200 -132.552 7.3453 -36.281 7.34494 -220.593 103.832 -36.2807 103.831 -207.146 GPRESSURE: 3011200 -100.869 -20.7876 -118.461 91.7247 -164.134 191.224 19.9548 182.417 -203.009 PRESSAVG: 3011200 -76.8034 4.92149 18.892 4.92141 9.68105 -2.33308 18.892 -2.33302 43.3652 GPRESSAVG: 3011200 -76.4654 5.60753 17.2929 4.90841 9.22497 0.121834 20.0337 -4.20748 43.2462 TIMING: 3011200 CPU: 9069.18, 0.00301227/step Wall: 9069.18, 0.00301227/step, 1.66411 hours remaining, 209.996094 MB of memory in use. ENERGY: 3011200 725.2993 2093.1297 1933.7951 106.2734 -206327.6801 17618.6247 0.0000 0.0000 34133.0076 -149717.5502 298.0920 -183850.5578 -149618.6870 298.0571 -186.7638 -156.0040 556696.8918 -7.9191 -7.9981 PRESSURE: 3011400 -69.176 -24.0368 165.133 -24.037 -263.661 -17.7977 165.134 -17.7977 -178.955 GPRESSURE: 3011400 3.63535 -35.844 198.493 -21.8119 -232.157 -4.04164 123.999 -22.2301 -189.321 PRESSAVG: 3011400 22.8971 -38.3842 54.2837 -38.3842 -57.6052 10.3954 54.2838 10.3954 56.4325 GPRESSAVG: 3011400 22.2137 -38.0463 56.2026 -38.6091 -56.9015 9.66057 54.3652 11.1285 56.6185 TIMING: 3011400 CPU: 9069.78, 0.00301683/step Wall: 9069.78, 0.00301683/step, 1.66646 hours remaining, 209.996094 MB of memory in use. ENERGY: 3011400 772.7817 2090.2668 1901.1668 115.7602 -206577.3511 17646.9182 0.0000 0.0000 34308.8392 -149741.6182 299.6276 -184050.4573 -149643.5530 298.0176 -170.5976 -139.2812 556646.3323 7.2415 7.3103 PRESSURE: 3011600 -138.449 -64.49 108.598 -64.4907 -83.6263 -81.048 108.598 -81.048 46.7746 GPRESSURE: 3011600 -122.714 -120.764 95.7083 -38.6095 -80.7302 -142.779 2.07702 -76.2862 114.073 PRESSAVG: 3011600 43.9191 -4.90229 47.5237 -4.90229 -90.2214 3.30635 47.5239 3.30626 -35.6182 GPRESSAVG: 3011600 45.1868 -4.01179 45.1648 -4.10535 -91.1691 1.3392 46.8519 6.04239 -36.2663 TIMING: 3011600 CPU: 9070.38, 0.00299837/step Wall: 9070.38, 0.00299837/step, 1.6561 hours remaining, 209.996094 MB of memory in use. ENERGY: 3011600 746.5701 1992.5297 1935.6389 106.0086 -206373.8179 17826.5308 0.0000 0.0000 34053.3346 -149713.2051 297.3962 -183766.5397 -149611.1778 297.2898 -58.4335 -29.7905 558038.0643 -27.3068 -27.4162 PRESSURE: 3011800 193.212 96.9697 -127.586 96.9687 -11.3402 23.505 -127.586 23.5037 77.0171 GPRESSURE: 3011800 184.087 139.664 -84.7793 99.0336 35.2372 -29.9436 -145.182 -7.04234 126.542 PRESSAVG: 3011800 11.2484 -12.2727 42.2186 -12.2726 -40.8437 11.1848 42.2185 11.1848 28.7244 GPRESSAVG: 3011800 9.15533 -11.493 41.7027 -12.8203 -40.0672 11.5631 43.6229 10.2002 29.9849 TIMING: 3011800 CPU: 9070.99, 0.00301553/step Wall: 9070.99, 0.00301553/step, 1.66541 hours remaining, 209.996094 MB of memory in use. ENERGY: 3011800 716.5779 2065.1711 1928.1709 112.1415 -206791.7007 18032.2713 0.0000 0.0000 34342.5092 -149594.8588 299.9217 -183937.3680 -149501.5748 298.4639 86.2961 115.2888 557091.6395 -0.2903 -0.3090 PRESSURE: 3012000 -38.1993 98.1605 189.627 98.1623 -192.103 -42.3021 189.627 -42.3015 121.318 GPRESSURE: 3012000 29.7302 92.9821 136.145 133.745 -180.376 -32.3164 175.778 -157.722 142.507 PRESSAVG: 3012000 35.5664 -43.6453 -1.25017 -43.6452 -18.3197 -45.3682 -1.25012 -45.3681 -7.76565 GPRESSAVG: 3012000 37.0536 -45.9447 -0.533122 -42.3177 -18.479 -44.8531 -1.85111 -44.2093 -8.36295 TIMING: 3012000 CPU: 9071.59, 0.0029974/step Wall: 9071.59, 0.0029974/step, 1.65523 hours remaining, 209.996094 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: 3012000 731.8095 2077.7567 1919.1158 122.5427 -206145.9413 17583.9105 0.0000 0.0000 34220.6182 -149490.1879 298.8572 -183710.8061 -149388.9685 298.4931 -36.3280 -2.7127 555972.5288 3.1604 3.4039 PRESSURE: 3012200 -42.3445 113.147 24.0167 113.147 -66.6204 2.66744 24.0183 2.66821 -72.7826 GPRESSURE: 3012200 2.92504 130.347 106.31 145.289 -39.7138 -153.048 -45.9609 35.5703 -44.3096 PRESSAVG: 3012200 -11.5709 3.58185 20.5898 3.58181 -21.1046 -27.5642 20.5898 -27.5643 25.8795 GPRESSAVG: 3012200 -11.1635 2.83347 22.6988 3.37957 -21.4226 -27.2547 18.4096 -29.2118 25.6781 TIMING: 3012200 CPU: 9072.19, 0.00300417/step Wall: 9072.19, 0.00300417/step, 1.6588 hours remaining, 209.996094 MB of memory in use. ENERGY: 3012200 760.8307 2115.3433 1918.3390 108.9673 -206321.4215 17627.8850 0.0000 0.0000 34423.7726 -149366.2836 300.6314 -183790.0562 -149276.4433 298.6343 -60.5825 -27.0328 555526.2482 -2.2653 -2.3027 LDB: ============= START OF LOAD BALANCING ============== 9075.71 LDB: ============== END OF LOAD BALANCING =============== 9075.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9075.71 LDB: ============= START OF LOAD BALANCING ============== 9076.01 LDB: Largest compute 4794 load 0.028126 is 23.8% of average load 0.118127 LDB: Average compute 0.001738 is 1.5% of average load 0.118127 LDB: TIME 9076.01 LOAD: AVG 0.118127 MAX 0.206386 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.824 MB LDB: TIME 9076.01 LOAD: AVG 0.118127 MAX 0.206386 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.895 MB LDB: TIME 9076.01 LOAD: AVG 0.118127 MAX 0.206386 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.895 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9076.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9076.02 PRESSURE: 3012400 -32.389 64.3747 133.015 64.3746 -88.5156 81.5437 133.016 81.5429 109.686 GPRESSURE: 3012400 30.0452 10.5516 33.92 129.573 -31.5854 52.3701 129.479 186.001 104.715 PRESSAVG: 3012400 0.141662 5.66002 -52.4951 5.66002 13.4609 -8.27993 -52.4951 -8.28013 -54.0777 GPRESSAVG: 3012400 -0.662195 7.41887 -54.071 5.21768 14.0118 -8.62581 -51.3636 -8.3286 -53.2707 TIMING: 3012400 CPU: 9072.8, 0.00306805/step Wall: 9072.8, 0.00306805/step, 1.6939 hours remaining, 208.429688 MB of memory in use. ENERGY: 3012400 749.0032 2025.3261 1933.7892 95.0934 -205952.7179 17689.8892 0.0000 0.0000 34093.8516 -149365.7654 297.7501 -183459.6170 -149264.1090 298.6903 -3.7395 34.3917 556430.3034 -13.4917 -13.3070 PRESSURE: 3012600 -9.28608 52.4981 44.6269 52.4985 51.7032 -94.6778 44.6277 -94.6771 -187.966 GPRESSURE: 3012600 38.8834 6.64086 39.4033 48.5809 81.168 -102.817 64.8104 -126.958 -171.287 PRESSAVG: 3012600 23.6904 -3.45902 10.5976 -3.45913 10.1912 12.0801 10.5976 12.0801 -7.19784 GPRESSAVG: 3012600 24.384 -5.39252 12.5844 -1.85032 11.0053 12.5902 10.5313 10.6351 -8.68582 TIMING: 3012600 CPU: 9073.4, 0.00298424/step Wall: 9073.4, 0.00298424/step, 1.64746 hours remaining, 208.632812 MB of memory in use. ENERGY: 3012600 716.5365 2097.9587 1930.7282 117.1754 -206031.2694 17670.0127 0.0000 0.0000 34126.6482 -149372.2099 298.0365 -183498.8581 -149276.5847 299.6468 -48.5164 -17.0784 556274.0816 8.8946 8.9012 PRESSURE: 3012800 -23.2715 -85.9018 36.9408 -85.9021 -34.9231 -17.9728 36.9399 -17.9732 296.953 GPRESSURE: 3012800 37.5738 -41.2398 -52.6757 -186.685 -41.7356 7.85351 49.7583 -41.08 340.257 PRESSAVG: 3012800 -14.0479 3.83222 -27.8315 3.83213 -23.6285 10.3999 -27.8315 10.4 49.7094 GPRESSAVG: 3012800 -14.9419 3.71581 -31.5609 1.46907 -22.9223 10.8773 -27.6614 11.6768 50.3358 TIMING: 3012800 CPU: 9074, 0.00298648/step Wall: 9074, 0.00298648/step, 1.64854 hours remaining, 208.632812 MB of memory in use. ENERGY: 3012800 740.9285 2069.4245 1919.8980 114.8779 -206502.9085 17864.3179 0.0000 0.0000 34485.0825 -149308.3792 301.1668 -183793.4617 -149198.4018 299.2883 79.5862 112.0318 556485.9449 4.0110 4.1572 PRESSURE: 3013000 -164.605 184.132 46.6197 184.133 -114.18 40.4588 46.6207 40.4593 -19.411 GPRESSURE: 3013000 -126.487 199.46 112.986 187.635 -61.8191 59.6907 2.84915 16.8406 -13.9057 PRESSAVG: 3013000 28.362 -7.35589 -6.38541 -7.35594 -31.7117 39.5793 -6.38544 39.5793 -8.65301 GPRESSAVG: 3013000 29.1242 -5.959 -4.10758 -7.81876 -31.1264 36.4681 -7.65084 39.7104 -9.77939 TIMING: 3013000 CPU: 9074.59, 0.00297055/step Wall: 9074.59, 0.00297055/step, 1.63958 hours remaining, 208.632812 MB of memory in use. ENERGY: 3013000 750.2594 2028.5260 1934.4947 114.2137 -206198.3458 17675.3613 0.0000 0.0000 34265.1552 -149430.3356 299.2461 -183695.4908 -149331.5690 298.3891 -99.3988 -67.4040 557396.7437 -4.0009 -3.9272 PRESSURE: 3013200 404.183 45.1622 -3.18638 45.161 223.979 -175.257 -3.18744 -175.257 120.119 GPRESSURE: 3013200 394.986 34.9956 56.0314 -25.2865 289.759 -259.284 -13.9054 -127.066 155.571 PRESSAVG: 3013200 63.5351 -18.3538 34.2974 -18.3536 3.78498 2.61361 34.2974 2.61365 -22.9681 GPRESSAVG: 3013200 62.3195 -17.6159 33.7379 -19.2234 3.43156 4.85382 35.7913 2.2831 -22.039 TIMING: 3013200 CPU: 9075.19, 0.00298352/step Wall: 9075.19, 0.00298352/step, 1.64657 hours remaining, 208.632812 MB of memory in use. ENERGY: 3013200 735.8359 2092.6243 1930.4184 127.1983 -206687.3078 18201.1243 0.0000 0.0000 34337.4565 -149262.6502 299.8775 -183600.1067 -149161.6621 299.0658 249.4272 280.1054 555289.5666 14.7840 14.5707 PRESSURE: 3013400 182.754 -215.532 -114.442 -215.533 -1.49204 -30.7351 -114.442 -30.736 149.632 GPRESSURE: 3013400 180.483 -149.977 -150.151 -121.171 10.2497 -10.2633 -71.2951 2.90704 222.716 PRESSAVG: 3013400 47.0025 -15.9616 27.961 -15.9616 -29.9233 -29.2706 27.961 -29.2705 -4.25406 GPRESSAVG: 3013400 47.33 -16.2299 27.8896 -14.7205 -30.7591 -31.5954 29.7468 -28.0834 -3.92272 TIMING: 3013400 CPU: 9075.78, 0.00297948/step Wall: 9075.78, 0.00297948/step, 1.64418 hours remaining, 208.632812 MB of memory in use. ENERGY: 3013400 775.4012 2102.5022 1961.7264 130.4250 -206467.2133 18041.6739 0.0000 0.0000 34308.1949 -149147.2898 299.6220 -183455.4846 -149053.6472 299.5016 110.2979 137.8163 555366.0659 4.2750 4.2161 PRESSURE: 3013600 -377.739 87.512 15.8802 87.5114 -22.4324 115.484 15.8803 115.485 57.0997 GPRESSURE: 3013600 -350.997 58.9309 83.0669 97.3208 8.51333 63.8107 -55.1066 202.923 88.5064 PRESSAVG: 3013600 38.0351 -65.1241 17.9168 -65.1242 -5.00624 -7.48081 17.9167 -7.48077 -12.8004 GPRESSAVG: 3013600 37.8245 -66.327 18.7115 -67.3995 -4.01853 -5.37784 15.4884 -9.36615 -13.4274 TIMING: 3013600 CPU: 9076.38, 0.00296917/step Wall: 9076.38, 0.00296917/step, 1.63832 hours remaining, 208.632812 MB of memory in use. ENERGY: 3013600 755.2600 2099.4969 1952.8878 117.4499 -205984.8393 17548.3851 0.0000 0.0000 34518.3473 -148993.0123 301.4573 -183511.3596 -148899.2853 299.5713 -114.3571 -84.6592 556221.4753 6.7428 6.7929 PRESSURE: 3013800 115.062 107.625 -189.005 107.625 -57.9999 -7.63615 -189.004 -7.63491 -137.668 GPRESSURE: 3013800 74.7617 129.927 -214.113 163.372 1.80756 24.7743 -136.53 18.6102 -67.7867 PRESSAVG: 3013800 -47.8068 -0.343082 20.5036 -0.343153 -65.2357 108.444 20.5036 108.444 96.6942 GPRESSAVG: 3013800 -47.915 -0.668737 19.0529 1.47127 -65.1296 108.486 23.05 107.443 97.0227 TIMING: 3013800 CPU: 9076.98, 0.00303871/step Wall: 9076.98, 0.00303871/step, 1.67653 hours remaining, 208.632812 MB of memory in use. ENERGY: 3013800 728.7798 2080.9373 1928.2121 116.0464 -205957.3268 17745.5841 0.0000 0.0000 34318.8263 -149038.9409 299.7148 -183357.7672 -148935.5956 299.9201 -26.8689 2.9275 557177.1370 -5.4494 -5.3406 PRESSURE: 3014000 -110.466 -73.4685 105.524 -73.4677 -67.1123 53.7685 105.524 53.7687 -473.631 GPRESSURE: 3014000 -68.3577 -86.288 130.391 -44.9409 -98.3872 107.176 160.918 90.0209 -389.308 PRESSAVG: 3014000 -15.9511 -0.898738 -1.23845 -0.898712 -36.6478 49.2297 -1.23851 49.2298 41.4948 GPRESSAVG: 3014000 -13.86 -0.290295 -1.02251 -1.62136 -37.5909 47.9733 -3.01864 51.4098 40.9991 TIMING: 3014000 CPU: 9077.59, 0.00301383/step Wall: 9077.59, 0.00301383/step, 1.66263 hours remaining, 208.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3014000 765.8968 2080.0877 1949.5740 101.5465 -205527.8562 17476.0575 0.0000 0.0000 34257.8729 -148896.8207 299.1825 -183154.6936 -148795.7653 300.2532 -217.0700 -185.3511 558148.1513 -3.7014 -3.4839 PRESSURE: 3014200 58.5834 -136.074 -36.4186 -136.075 -277.441 -75.7799 -36.4178 -75.7782 27.5315 GPRESSURE: 3014200 77.7623 -127.587 29.2095 -87.6889 -223.495 -18.0868 -9.32554 -132.314 54.4558 PRESSAVG: 3014200 -9.96407 -50.4161 42.3293 -50.4161 -29.2983 -32.2672 42.3292 -32.2671 24.1743 GPRESSAVG: 3014200 -11.5746 -50.6665 44.8311 -49.3566 -28.2532 -30.8006 42.2095 -34.6792 24.6302 TIMING: 3014200 CPU: 9078.19, 0.00303726/step Wall: 9078.19, 0.00303726/step, 1.67539 hours remaining, 208.632812 MB of memory in use. ENERGY: 3014200 786.2502 2105.9858 1947.9512 115.8132 -205945.0954 17794.6378 0.0000 0.0000 34439.0724 -148755.3848 300.7650 -183194.4572 -148659.2053 300.5850 -63.7753 -30.4257 558092.5534 -5.0294 -5.0659 PRESSURE: 3014400 269.8 -79.959 71.5199 -79.9592 -0.523855 82.6186 71.5199 82.6188 298.955 GPRESSURE: 3014400 274.537 -71.5555 50.2451 -38.323 24.4745 110.919 132.032 25.3674 374.752 PRESSAVG: 3014400 -11.128 -19.5347 -22.8869 -19.5346 -14.2508 14.3197 -22.8868 14.3197 11.2966 GPRESSAVG: 3014400 -10.5907 -18.8615 -26.8965 -19.5954 -14.7819 15.1476 -23.0651 15.7121 11.4082 TIMING: 3014400 CPU: 9078.8, 0.00305279/step Wall: 9078.8, 0.00305279/step, 1.68378 hours remaining, 208.835938 MB of memory in use. ENERGY: 3014400 758.4967 2070.2898 1954.8718 99.7299 -206181.0074 18098.3096 0.0000 0.0000 34488.4571 -148710.8524 301.1963 -183199.3095 -148609.9319 300.1866 189.4104 224.5879 557229.8463 -4.6941 -4.6548 PRESSURE: 3014600 101.161 224.347 -106.653 224.349 81.1699 -129.117 -106.653 -129.117 -151.962 GPRESSURE: 3014600 97.979 312.413 -138.177 178.708 69.0283 -197.419 -28.0246 -146.328 -29.9146 PRESSAVG: 3014600 38.5169 -19.0137 22.3074 -19.0136 19.4531 15.7512 22.3073 15.7513 -45.1891 GPRESSAVG: 3014600 38.8725 -19.9549 24.7152 -19.6765 18.6712 14.9371 22.9486 16.7684 -44.4475 TIMING: 3014600 CPU: 9079.42, 0.00305364/step Wall: 9079.42, 0.00305364/step, 1.68408 hours remaining, 208.835938 MB of memory in use. ENERGY: 3014600 749.5786 2029.9742 1925.0713 123.8146 -205614.3143 17647.3073 0.0000 0.0000 34429.2251 -148709.3432 300.6790 -183138.5683 -148618.5957 300.8962 10.1230 45.6976 557121.3847 4.2603 4.3654 PRESSURE: 3014800 -60.2343 -142.852 307.217 -142.851 -244.862 178.918 307.218 178.918 -163.551 GPRESSURE: 3014800 19.6496 -179.358 321.507 -202.931 -276.873 254.955 297.6 208.447 -113.055 PRESSAVG: 3014800 7.68026 -28.1246 12.9982 -28.1244 33.1644 -8.65266 12.9983 -8.65265 -15.9789 GPRESSAVG: 3014800 7.03656 -25.1697 12.8335 -29.7334 33.4693 -6.73392 11.3003 -10.5851 -16.3517 TIMING: 3014800 CPU: 9080.02, 0.00299918/step Wall: 9080.02, 0.00299918/step, 1.65388 hours remaining, 208.835938 MB of memory in use. ENERGY: 3014800 758.5289 2116.2665 1933.2238 106.1868 -205439.4245 17432.0217 0.0000 0.0000 34341.9237 -148751.2731 299.9166 -183093.1968 -148658.5591 300.2467 -156.2159 -123.4260 557948.0534 8.2886 8.0514 PRESSURE: 3015000 -210.832 -99.9353 34.1659 -99.935 95.7789 64.4678 34.1647 64.4684 23.865 GPRESSURE: 3015000 -108.895 -78.4762 49.5251 -73.8361 84.5289 79.7306 47.0691 -4.61898 26.6271 PRESSAVG: 3015000 -2.32489 -8.85283 -4.88562 -8.85285 60.9749 -34.7591 -4.88561 -34.7592 -65.3371 GPRESSAVG: 3015000 -2.246 -10.5843 -5.96827 -9.15115 61.0264 -36.4324 -3.28322 -34.8791 -65.278 TIMING: 3015000 CPU: 9080.62, 0.00301238/step Wall: 9080.62, 0.00301238/step, 1.66099 hours remaining, 208.835938 MB of memory in use. ENERGY: 3015000 764.5595 2109.2511 1916.1064 110.0538 -205560.1296 17656.8795 0.0000 0.0000 34352.1274 -148651.1519 300.0057 -183003.2792 -148552.3484 300.4610 -30.3961 0.7537 559334.2946 -2.2290 -2.1658 PRESSURE: 3015200 -211.945 -116.635 -116.498 -116.636 -115.23 -95.6171 -116.498 -95.6154 -53.6215 GPRESSURE: 3015200 -148.403 -81.8675 -83.841 -110.129 -125.489 -56.7741 -151.026 -175.915 -18.3227 PRESSAVG: 3015200 -95.0026 33.339 -6.88101 33.3391 47.8901 -14.9868 -6.88098 -14.9868 25.4116 GPRESSAVG: 3015200 -94.3439 33.0717 -6.38344 34.343 48.1723 -16.3033 -6.23493 -14.7861 24.8529 TIMING: 3015200 CPU: 9081.22, 0.00301835/step Wall: 9081.22, 0.00301835/step, 1.66411 hours remaining, 208.835938 MB of memory in use. ENERGY: 3015200 710.6075 2109.7114 1940.5581 103.3733 -205878.8429 17606.3318 0.0000 0.0000 34840.1712 -148568.0896 304.2679 -183408.2608 -148467.0374 301.3166 -126.9320 -97.4047 558798.1296 -7.2337 -7.1062 PRESSURE: 3015400 -92.3666 207.965 -74.66 207.966 -169.085 -16.4464 -74.6598 -16.4478 -236.576 GPRESSURE: 3015400 -50.1488 203.402 -58.1746 130.812 -195.792 -36.2159 -185.683 41.6475 -159.05 PRESSAVG: 3015400 -41.021 -1.44762 -42.3023 -1.44767 34.6473 -36.5796 -42.3022 -36.5797 9.7198 GPRESSAVG: 3015400 -41.838 -1.32164 -43.9631 -0.609706 35.6531 -34.7446 -43.5212 -35.9728 9.83425 TIMING: 3015400 CPU: 9081.82, 0.00299612/step Wall: 9081.82, 0.00299612/step, 1.65169 hours remaining, 208.835938 MB of memory in use. ENERGY: 3015400 763.2080 2064.3958 1969.0216 109.9112 -205657.0790 17587.0774 0.0000 0.0000 34526.3597 -148637.1052 301.5273 -183163.4649 -148533.1187 301.8650 -166.0091 -134.9967 558581.0467 1.1154 1.2164 PRESSURE: 3015600 46.5836 -0.962008 -191.631 -0.962017 -124.674 216.478 -191.63 216.481 39.4104 GPRESSURE: 3015600 23.8889 -48.7053 -272.284 38.2428 -84.2362 214.27 -87.385 255.69 118.816 PRESSAVG: 3015600 5.6043 62.5133 -5.02687 62.5132 6.94024 13.67 -5.02686 13.6699 3.25271 GPRESSAVG: 3015600 3.99033 62.4481 -4.44484 62.797 6.563 12.1978 -4.86224 13.1337 5.03439 TIMING: 3015600 CPU: 9082.42, 0.0030017/step Wall: 9082.42, 0.0030017/step, 1.6546 hours remaining, 208.835938 MB of memory in use. ENERGY: 3015600 746.2315 2106.5558 1937.1867 125.5242 -205688.0276 17718.0632 0.0000 0.0000 34383.1357 -148671.3305 300.2765 -183054.4662 -148580.7659 301.3411 -12.8933 19.4896 558486.3543 5.2657 5.1959 PRESSURE: 3015800 77.3855 132.831 -77.9441 132.831 198.873 -46.3442 -77.9449 -46.3447 125.27 GPRESSURE: 3015800 103.955 145.407 -18.0091 160.276 242.188 -29.0297 -105.208 -105.478 147.173 PRESSAVG: 3015800 24.4952 62.3407 50.2127 62.3406 -67.1416 24.754 50.2127 24.7541 13.6168 GPRESSAVG: 3015800 26.246 63.9495 50.8481 60.6724 -67.0509 26.0098 49.3222 24.9588 11.396 TIMING: 3015800 CPU: 9083.02, 0.00301593/step Wall: 9083.02, 0.00301593/step, 1.66228 hours remaining, 208.835938 MB of memory in use. ENERGY: 3015800 773.0193 2044.2492 1952.4365 117.0054 -206014.9770 18004.3780 0.0000 0.0000 34459.3662 -148664.5223 300.9422 -183123.8885 -148568.0401 301.3034 133.8431 164.4388 557337.3458 -9.6765 -9.8030 PRESSURE: 3016000 54.1952 169.944 89.9487 169.943 -238.731 29.613 89.9492 29.6129 -153.614 GPRESSURE: 3016000 66.7797 110.311 53.4752 214.24 -176.58 -35.0567 43.3392 122.681 -128.93 PRESSAVG: 3016000 -57.6859 -10.4567 -68.4471 -10.4567 3.94872 12.4192 -68.4471 12.4193 46.2737 GPRESSAVG: 3016000 -58.5856 -12.9995 -71.588 -7.61242 2.86059 10.1715 -66.1842 13.9507 48.8007 TIMING: 3016000 CPU: 9083.62, 0.0029803/step Wall: 9083.62, 0.0029803/step, 1.64248 hours remaining, 208.835938 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: 3016000 779.7508 2069.4654 1949.0390 109.2491 -205617.2992 17695.5184 0.0000 0.0000 34220.8193 -148793.4572 298.8589 -183014.2765 -148694.4834 300.3409 -112.7165 -79.5767 558682.5289 -2.4878 -2.3081 PRESSURE: 3016200 0.468132 75.4039 -89.0306 75.4054 -322.659 -64.2329 -89.0314 -64.2343 138.369 GPRESSURE: 3016200 17.9882 180.492 -121.422 17.5934 -263.808 -23.0762 10.6775 -75.9435 158.386 PRESSAVG: 3016200 -25.5412 26.3403 7.27695 26.3404 -23.073 -16.9852 7.27695 -16.9853 56.7099 GPRESSAVG: 3016200 -25.0257 27.5739 8.41476 25.4061 -21.4388 -15.4876 6.15468 -17.3185 54.8776 TIMING: 3016200 CPU: 9084.22, 0.00298525/step Wall: 9084.22, 0.00298525/step, 1.64504 hours remaining, 208.835938 MB of memory in use. ENERGY: 3016200 737.4345 2068.8110 1882.6308 115.4066 -205708.1352 17736.9765 0.0000 0.0000 34336.6869 -148830.1891 299.8708 -183166.8759 -148731.1941 300.3546 -61.2740 -29.1445 559012.2713 2.6986 2.8043 LDB: ============= START OF LOAD BALANCING ============== 9087.73 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9087.73 LDB: =============== DONE WITH MIGRATION ================ 9087.73 LDB: ============= START OF LOAD BALANCING ============== 9088.03 LDB: Largest compute 4794 load 0.027702 is 23.5% of average load 0.117969 LDB: Average compute 0.001731 is 1.5% of average load 0.117969 LDB: TIME 9088.04 LOAD: AVG 0.117969 MAX 0.205233 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.688 MB LDB: TIME 9088.04 LOAD: AVG 0.117969 MAX 0.205233 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.734 MB LDB: TIME 9088.04 LOAD: AVG 0.117969 MAX 0.205233 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.734 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9088.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9088.04 PRESSURE: 3016400 -67.5756 -204.743 -116.315 -204.744 121.819 248.84 -116.316 248.839 -133.767 GPRESSURE: 3016400 -24.0232 -203.897 -124.236 -187.363 144.672 278.769 -65.5468 217.926 -101.438 PRESSAVG: 3016400 -29.5456 -9.19375 -6.56597 -9.19377 22.3946 -60.8488 -6.56597 -60.8489 -17.8683 GPRESSAVG: 3016400 -28.8106 -8.60728 -5.29547 -7.86847 20.2845 -62.8187 -5.11548 -59.1214 -16.5811 TIMING: 3016400 CPU: 9084.83, 0.00305025/step Wall: 9084.83, 0.00305025/step, 1.68069 hours remaining, 209.515625 MB of memory in use. ENERGY: 3016400 726.0096 2084.4094 1934.2602 106.5719 -205818.5214 17791.5493 0.0000 0.0000 34481.2307 -148694.4904 301.1332 -183175.7211 -148604.7041 299.7056 -26.5077 6.4038 558131.4711 -8.3398 -8.3691 PRESSURE: 3016600 -180.157 -120.096 -43.0135 -120.096 -320.537 23.56 -43.0131 23.5597 -165.351 GPRESSURE: 3016600 -121.087 -145.352 -22.1764 -29.1182 -335.891 -11.2311 -62.8334 -23.3203 -116.036 PRESSAVG: 3016600 -4.14162 -18.7985 -13.5689 -18.7984 -11.0755 -11.541 -13.5688 -11.5411 41.3007 GPRESSAVG: 3016600 -4.78564 -19.0511 -14.0053 -20.3203 -10.7553 -10.6741 -15.3817 -15.4298 41.1829 TIMING: 3016600 CPU: 9085.43, 0.00300946/step Wall: 9085.43, 0.00300946/step, 1.65805 hours remaining, 209.515625 MB of memory in use. ENERGY: 3016600 766.5529 2039.3277 1936.9102 107.5245 -205711.5823 17483.0849 0.0000 0.0000 34388.0838 -148990.0983 300.3197 -183378.1821 -148889.3890 299.8899 -222.0149 -191.0047 558695.9882 8.6945 8.5474 PRESSURE: 3016800 64.0661 -19.8473 -148.262 -19.847 -57.1701 100.75 -148.262 100.751 -137.026 GPRESSURE: 3016800 84.8083 -12.9313 -127.064 -17.6434 -2.72886 69.9457 -108.911 106.682 -123.139 PRESSAVG: 3016800 -45.8595 6.53511 -31.2279 6.53509 -12.3373 32.5581 -31.228 32.5579 -0.905511 GPRESSAVG: 3016800 -45.6666 7.16238 -29.8842 6.12601 -11.2816 32.9639 -31.6191 35.1137 -2.23113 TIMING: 3016800 CPU: 9086.03, 0.00299355/step Wall: 9086.03, 0.00299355/step, 1.64911 hours remaining, 209.574219 MB of memory in use. ENERGY: 3016800 756.2982 2085.1783 1928.9430 111.5142 -206076.2815 17753.8806 0.0000 0.0000 34318.4292 -149122.0379 299.7114 -183440.4671 -149021.9723 299.8186 -43.3768 -13.6864 558709.8801 -19.7008 -19.7264 PRESSURE: 3017000 3.44784 6.93648 285.515 6.93596 251.165 -26.7626 285.513 -26.7627 209.223 GPRESSURE: 3017000 23.439 4.80389 301.129 -46.4535 269.838 -25.7095 218.46 -17.3656 273.077 PRESSAVG: 3017000 -95.2832 2.10457 -11.6579 2.10465 55.9325 -1.33777 -11.6579 -1.33792 45.8164 GPRESSAVG: 3017000 -95.8553 1.16613 -14.0328 0.621965 55.4534 -0.387104 -9.26408 -1.62114 47.2355 TIMING: 3017000 CPU: 9086.62, 0.00298457/step Wall: 9086.62, 0.00298457/step, 1.644 hours remaining, 209.574219 MB of memory in use. ENERGY: 3017000 718.4185 2087.3134 1913.5793 112.6350 -206079.6094 17896.8518 0.0000 0.0000 34261.4910 -149089.3204 299.2141 -183350.8114 -148990.1093 299.3606 154.6117 188.7847 558147.0621 2.1552 2.2779 PRESSURE: 3017200 106.333 140.284 112.426 140.283 8.6603 -63.56 112.427 -63.5618 55.1166 GPRESSURE: 3017200 119.942 211.318 118.142 100.312 60.1747 20.6854 129.493 -151.79 96.1802 PRESSAVG: 3017200 -44.8604 26.1421 -17.2234 26.1421 22.4347 -11.8946 -17.2235 -11.8945 57.7216 GPRESSAVG: 3017200 -44.9725 25.5628 -14.5144 27.5533 23.0042 -10.9821 -18.4871 -12.3476 57.0914 TIMING: 3017200 CPU: 9087.22, 0.00299697/step Wall: 9087.22, 0.00299697/step, 1.65067 hours remaining, 209.574219 MB of memory in use. ENERGY: 3017200 744.4236 2073.7664 1952.0985 108.1039 -206185.5315 17922.5270 0.0000 0.0000 34394.4864 -148990.1256 300.3756 -183384.6121 -148893.2208 299.8058 56.7032 92.0990 558423.2390 11.7653 11.7077 PRESSURE: 3017400 -12.9687 67.9483 -77.8302 67.9492 -76.0698 16.1914 -77.8295 16.19 317.643 GPRESSURE: 3017400 20.8381 121.402 9.34106 95.7759 -40.7759 55.568 -98.4496 -32.5602 354.945 PRESSAVG: 3017400 -4.61487 38.4327 -27.9392 38.4326 -13.9414 6.95597 -27.9392 6.956 9.85768 GPRESSAVG: 3017400 -4.35283 37.5763 -30.3577 38.8563 -14.313 5.50216 -27.0079 8.85434 9.78158 TIMING: 3017400 CPU: 9087.82, 0.00297016/step Wall: 9087.82, 0.00297016/step, 1.63573 hours remaining, 209.574219 MB of memory in use. ENERGY: 3017400 746.4013 2075.5963 1929.5331 118.3993 -206280.8183 17957.0151 0.0000 0.0000 34245.1616 -149208.7116 299.0715 -183453.8733 -149108.9012 299.6540 76.2014 111.6689 556926.8248 -2.8995 -2.9614 PRESSURE: 3017600 -252.748 -13.8956 107.402 -13.8939 -41.6017 -135.436 107.402 -135.435 -19.2451 GPRESSURE: 3017600 -205.387 48.5601 88.2838 5.76646 -36.4265 -122.368 192.698 -147.396 29.6177 PRESSAVG: 3017600 -16.7074 -30.5468 44.78 -30.5468 -3.34652 -15.4556 44.78 -15.4555 13.6699 GPRESSAVG: 3017600 -16.7236 -29.0179 47.0041 -31.5483 -3.0225 -16.6648 43.4432 -15.85 13.5047 TIMING: 3017600 CPU: 9088.41, 0.00298179/step Wall: 9088.41, 0.00298179/step, 1.64197 hours remaining, 209.574219 MB of memory in use. ENERGY: 3017600 769.7094 2063.0129 1924.1937 112.9372 -205927.8269 17597.2759 0.0000 0.0000 34275.5512 -149185.1465 299.3369 -183460.6978 -149086.7870 299.4754 -104.5316 -70.7319 559142.5251 -2.1280 -2.0804 PRESSURE: 3017800 -136.289 63.9496 112.977 63.9495 282.987 94.4317 112.977 94.4306 1.80937 GPRESSURE: 3017800 -139.54 165.418 100.022 -61.7391 317.973 145.882 64.9278 55.554 57.8648 PRESSAVG: 3017800 2.39775 44.1048 -11.4022 44.1047 5.10676 13.8136 -11.4021 13.8137 7.18598 GPRESSAVG: 3017800 1.43162 44.9211 -12.6498 43.1699 3.91213 15.3994 -10.4905 15.0662 9.28846 TIMING: 3017800 CPU: 9089.01, 0.00298667/step Wall: 9089.01, 0.00298667/step, 1.6445 hours remaining, 209.574219 MB of memory in use. ENERGY: 3017800 761.2835 2108.0133 1946.7438 114.2239 -206457.3655 17944.5718 0.0000 0.0000 34424.7111 -149157.8182 300.6396 -183582.5293 -149065.4311 299.1123 49.5023 78.7658 557786.9688 4.8968 4.8774 PRESSURE: 3018000 -22.7549 -80.1602 245.218 -80.1598 26.9229 46.9028 245.218 46.9021 -167.963 GPRESSURE: 3018000 33.5836 -113.137 303.051 -87.7325 24.2939 62.8601 209.602 7.26175 -128.226 PRESSAVG: 3018000 -0.157073 6.84709 37.3914 6.84716 78.8316 -10.4146 37.3914 -10.4145 -61.6727 GPRESSAVG: 3018000 0.994245 4.82281 37.3914 9.13807 79.3948 -9.76004 37.6015 -13.7113 -63.1004 TIMING: 3018000 CPU: 9089.61, 0.00300016/step Wall: 9089.61, 0.00300016/step, 1.65176 hours remaining, 209.574219 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: 3018000 756.5763 2156.7495 1945.4159 117.2656 -206301.1591 17855.8450 0.0000 0.0000 34358.3643 -149110.9424 300.0601 -183469.3068 -149014.2166 299.8753 -54.5984 -23.4495 558231.2741 5.6673 5.7629 PRESSURE: 3018200 -133.626 267.426 16.9683 267.425 -129.592 53.2728 16.9675 53.2732 -132.232 GPRESSURE: 3018200 -62.6386 233.866 72.0834 218.358 -132.683 62.5549 5.78712 22.7237 -99.8948 PRESSAVG: 3018200 75.5804 -36.7562 32.7661 -36.7563 -42.995 -32.2989 32.7661 -32.2989 -42.1301 GPRESSAVG: 3018200 75.4746 -35.9234 30.9938 -38.0479 -42.9352 -32.4523 32.2448 -31.1368 -41.6204 TIMING: 3018200 CPU: 9090.22, 0.0030201/step Wall: 9090.22, 0.0030201/step, 1.66257 hours remaining, 209.574219 MB of memory in use. ENERGY: 3018200 766.9503 2016.0494 1945.4981 108.4382 -205801.5441 17741.8846 0.0000 0.0000 34034.3598 -149188.3636 297.2305 -183222.7234 -149088.6114 299.6505 -131.8166 -98.4056 560008.5754 -3.1816 -3.0270 PRESSURE: 3018400 -328.029 -18.8376 89.47 -18.8369 -98.5113 4.62748 89.471 4.62749 -199.55 GPRESSURE: 3018400 -312.296 21.7584 8.90553 -60.6585 -62.3583 45.0382 89.3457 -31.7298 -155.022 PRESSAVG: 3018400 -11.366 24.4654 40.5506 24.4654 48.0589 -46.9917 40.5506 -46.9918 17.0227 GPRESSAVG: 3018400 -11.7062 25.3901 41.8582 24.4726 49.2338 -48.7702 39.3306 -47.3172 15.5457 TIMING: 3018400 CPU: 9090.82, 0.00303781/step Wall: 9090.82, 0.00303781/step, 1.67214 hours remaining, 209.574219 MB of memory in use. ENERGY: 3018400 729.1000 2140.8483 1947.0450 124.4471 -205826.3847 17455.3166 0.0000 0.0000 34412.5582 -149017.0695 300.5334 -183429.6277 -148919.7583 300.0483 -208.6967 -176.5589 558739.8288 17.9052 17.6911 PRESSURE: 3018600 -133.206 33.8531 -13.7642 33.8539 -37.4172 -11.2995 -13.7636 -11.3003 -209.096 GPRESSURE: 3018600 -11.1216 99.2223 -66.6295 2.38129 -73.0471 86.3096 9.27393 -53.2649 -183.912 PRESSAVG: 3018600 -53.9453 -88.9215 -3.94666 -88.9215 27.3458 23.1846 -3.94663 23.1846 26.5601 GPRESSAVG: 3018600 -53.1305 -90.0811 -3.35583 -88.5408 25.9973 22.292 -2.32099 24.4912 27.521 TIMING: 3018600 CPU: 9091.42, 0.00300042/step Wall: 9091.42, 0.00300042/step, 1.6514 hours remaining, 209.574219 MB of memory in use. ENERGY: 3018600 776.4577 2092.5132 1999.3374 107.0464 -205961.2340 17668.2849 0.0000 0.0000 34398.7857 -148918.8088 300.4132 -183317.5945 -148815.4875 299.9049 -126.5732 -89.3604 557226.4994 -0.0131 0.1292 PRESSURE: 3018800 -167.3 -71.0611 -104.362 -71.062 83.8589 -11.6385 -104.362 -11.6393 -65.446 GPRESSURE: 3018800 -101.453 -20.0889 -54.9188 -99.589 70.7297 -3.4959 -105.219 17.4181 -16.7801 PRESSAVG: 3018800 -49.4508 -15.8723 -28.1249 -15.8723 46.4478 7.99312 -28.1248 7.99313 -16.2198 GPRESSAVG: 3018800 -49.945 -16.2957 -30.0309 -15.6254 47.0557 8.9058 -28.7899 9.63924 -16.5157 TIMING: 3018800 CPU: 9092.02, 0.00299291/step Wall: 9092.02, 0.00299291/step, 1.6471 hours remaining, 209.574219 MB of memory in use. ENERGY: 3018800 734.9486 2160.2427 1936.7204 109.1528 -205906.5834 17660.7743 0.0000 0.0000 34325.8413 -148978.9033 299.7761 -183304.7446 -148880.2261 300.3591 -49.6290 -15.8344 557713.3054 -6.4076 -6.4684 PRESSURE: 3019000 -26.3139 -31.8633 5.56775 -31.8631 -154.785 -64.3047 5.56701 -64.3053 -9.80398 GPRESSURE: 3019000 40.9835 -97.563 -30.5223 70.0921 -130.065 -226.672 9.58549 -20.5828 6.52481 PRESSAVG: 3019000 18.6921 23.4294 19.8814 23.4295 -31.1786 -13.1298 19.8813 -13.13 -5.17521 GPRESSAVG: 3019000 18.1797 24.0606 22.0166 23.2313 -30.8335 -14.8153 19.7792 -15.0196 -5.12365 TIMING: 3019000 CPU: 9092.62, 0.00297398/step Wall: 9092.62, 0.00297398/step, 1.63651 hours remaining, 209.574219 MB of memory in use. ENERGY: 3019000 770.7650 2091.9321 1955.3035 130.5285 -205898.4202 17689.6564 0.0000 0.0000 34314.7868 -148945.4478 299.6796 -183260.2346 -148852.9498 300.2930 -63.6344 -27.5189 558323.0656 -5.8872 -5.9258 PRESSURE: 3019200 42.8867 23.7543 36.2473 23.7538 271.153 -2.63829 36.2479 -2.63905 -109.767 GPRESSURE: 3019200 68.2942 -96.5727 99.1536 68.9615 284.871 -41.8865 -19.5638 16.588 -54.4308 PRESSAVG: 3019200 -33.2196 -36.7742 1.2092 -36.7742 44.9492 45.4112 1.20916 45.4111 -34.1108 GPRESSAVG: 3019200 -32.4602 -36.705 -0.90504 -38.8529 44.8575 46.3555 0.662291 46.6078 -35.2323 TIMING: 3019200 CPU: 9093.21, 0.00295559/step Wall: 9093.21, 0.00295559/step, 1.62623 hours remaining, 209.574219 MB of memory in use. ENERGY: 3019200 765.6345 2080.4825 1952.4670 112.4774 -205750.6523 17570.2334 0.0000 0.0000 34305.6182 -148963.7393 299.5995 -183269.3575 -148873.0532 300.1557 68.0909 99.5781 556537.9163 -7.4604 -7.6117 PRESSURE: 3019400 -24.7021 -201.387 -3.57906 -201.386 -157.377 -41.6911 -3.57962 -41.6913 56.8718 GPRESSURE: 3019400 -19.7277 -250.418 -32.8377 -150.177 -98.7135 34.6006 -41.6611 -29.5345 98.5997 PRESSAVG: 3019400 2.94087 -52.6146 -12.6498 -52.6146 41.3976 33.5918 -12.65 33.5918 -32.4388 GPRESSAVG: 3019400 2.11914 -52.3791 -11.9713 -52.0491 41.4632 34.606 -13.4452 29.6628 -31.4931 TIMING: 3019400 CPU: 9093.8, 0.00298118/step Wall: 9093.8, 0.00298118/step, 1.64014 hours remaining, 209.574219 MB of memory in use. ENERGY: 3019400 714.7310 2082.8542 1931.5823 110.3725 -205582.1632 17500.7591 0.0000 0.0000 34330.7990 -148911.0652 299.8194 -183241.8642 -148808.8981 299.6747 -41.7359 -6.6138 557387.2981 3.9666 4.0298 PRESSURE: 3019600 60.2819 -147.564 105.93 -147.564 -106.692 -112.83 105.93 -112.829 24.8127 GPRESSURE: 3019600 97.1867 -119.644 39.5814 -171.668 -130.262 -182.176 152.416 -101.224 105.905 PRESSAVG: 3019600 49.5959 -41.1151 23.0712 -41.115 -9.10433 -58.2746 23.0712 -58.2745 -12.2129 GPRESSAVG: 3019600 51.3091 -42.0598 22.3622 -41.6837 -10.3296 -57.9208 23.6798 -56.1222 -12.947 TIMING: 3019600 CPU: 9094.4, 0.00297144/step Wall: 9094.4, 0.00297144/step, 1.63462 hours remaining, 209.574219 MB of memory in use. ENERGY: 3019600 821.3735 2078.6565 1920.8570 107.3402 -206212.3353 17761.1662 0.0000 0.0000 34546.7332 -148976.2088 301.7052 -183522.9420 -148883.6656 299.8838 -7.1992 24.2767 556409.1850 9.4262 9.3442 PRESSURE: 3019800 124.695 106.058 -103.761 106.057 -166.913 -25.0405 -103.762 -25.0409 -87.1678 GPRESSURE: 3019800 187.299 20.1483 -93.7507 78.0918 -123.482 42.6442 -86.4678 65.001 -98.8467 PRESSAVG: 3019800 15.502 12.3218 13.281 12.3219 -33.3954 -45.3039 13.281 -45.3039 18.5175 GPRESSAVG: 3019800 14.1858 13.1606 13.9053 12.0751 -33.0573 -47.9472 12.2962 -44.5845 18.9337 TIMING: 3019800 CPU: 9095, 0.00298826/step Wall: 9095, 0.00298826/step, 1.64371 hours remaining, 209.574219 MB of memory in use. ENERGY: 3019800 761.0762 2059.8203 1920.2911 106.0154 -205746.3818 17603.9035 0.0000 0.0000 34425.0892 -148870.1862 300.6429 -183295.2753 -148769.1174 300.0887 -43.1286 -11.6766 556775.1584 0.2080 0.0207 PRESSURE: 3020000 -1.77374 38.0032 25.8867 38.0027 -173.592 22.6695 25.8856 22.6691 -158.31 GPRESSURE: 3020000 -59.9631 75.3934 41.5524 -95.0276 -97.2943 -31.5345 71.314 -2.42102 -77.0304 PRESSAVG: 3020000 25.9103 -3.95522 -11.0852 -3.95524 14.845 -6.71838 -11.0852 -6.7184 -43.3085 GPRESSAVG: 3020000 25.8083 -4.72596 -12.9896 -2.30351 14.2322 -6.34169 -10.3451 -5.96072 -43.0002 TIMING: 3020000 CPU: 9095.6, 0.00301869/step Wall: 9095.6, 0.00301869/step, 1.66028 hours remaining, 209.574219 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: 3020000 740.4307 2066.6874 1944.8178 109.2231 -205477.3642 17503.0830 0.0000 0.0000 34409.7716 -148703.3505 300.5091 -183113.1221 -148606.2262 300.2264 -111.2251 -78.0959 557272.2154 -0.8511 -0.9866 PRESSURE: 3020200 -63.8131 30.3378 -20.365 30.3381 322.936 -232.024 -20.3641 -232.024 -50.7825 GPRESSURE: 3020200 13.9241 83.9038 -14.4546 -32.3846 322.125 -222.361 10.6889 -258.973 -14.6773 PRESSAVG: 3020200 -18.4786 41.1137 -40.9427 41.1136 -31.6522 1.49118 -40.9427 1.49127 2.5779 GPRESSAVG: 3020200 -19.2873 42.0574 -37.5982 38.9698 -30.3982 4.51011 -40.6798 -0.325517 1.84853 TIMING: 3020200 CPU: 9096.2, 0.00299011/step Wall: 9096.2, 0.00299011/step, 1.6444 hours remaining, 209.574219 MB of memory in use. ENERGY: 3020200 727.9223 2058.3896 1928.8294 114.4637 -205880.8197 17971.7246 0.0000 0.0000 34508.0988 -148571.3913 301.3678 -183079.4900 -148474.0516 300.7082 69.4467 107.1238 558025.2303 -15.8509 -15.9457 LDB: ============= START OF LOAD BALANCING ============== 9099.71 LDB: ============== END OF LOAD BALANCING =============== 9099.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9099.72 LDB: ============= START OF LOAD BALANCING ============== 9100.02 LDB: Largest compute 4794 load 0.029233 is 24.8% of average load 0.118019 LDB: Average compute 0.001729 is 1.5% of average load 0.118019 LDB: TIME 9100.02 LOAD: AVG 0.118019 MAX 0.208272 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.184 MB LDB: TIME 9100.02 LOAD: AVG 0.118019 MAX 0.208272 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.184 MB LDB: TIME 9100.02 LOAD: AVG 0.118019 MAX 0.208272 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.184 MB LDB: ============== END OF LOAD BALANCING =============== 9100.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9100.03 PRESSURE: 3020400 -267.103 -62.5029 28.6417 -62.5033 -53.2795 137.882 28.6419 137.881 -212.481 GPRESSURE: 3020400 -262.358 13.0698 17.8531 -108.952 -81.6688 117.709 18.0997 85.9711 -91.2823 PRESSAVG: 3020400 16.5412 -14.5571 28.9544 -14.557 -23.6601 -21.2608 28.9544 -21.2609 36.8544 GPRESSAVG: 3020400 18.2058 -16.0292 28.1138 -11.5864 -25.255 -23.2734 28.9487 -20.3654 36.4526 TIMING: 3020400 CPU: 9096.81, 0.00305963/step Wall: 9096.81, 0.00305963/step, 1.68245 hours remaining, 210.484375 MB of memory in use. ENERGY: 3020400 777.8911 2094.9688 1944.6880 107.8143 -205938.7666 17697.6452 0.0000 0.0000 34344.1924 -148971.5668 299.9364 -183315.7592 -148864.3493 300.7407 -177.6211 -145.1030 558130.2104 9.9118 9.8012 PRESSURE: 3020600 10.2721 -233.526 28.077 -233.525 -153.229 180.041 28.0762 180.04 103.093 GPRESSURE: 3020600 52.9773 -198.319 98.8377 -221.187 -99.1356 142.424 29.8734 211.17 98.6188 PRESSAVG: 3020600 -19.0969 -0.566055 5.74759 -0.566163 -76.5684 51.8177 5.74745 51.8176 69.4952 GPRESSAVG: 3020600 -19.6289 1.19085 3.88673 -2.90234 -75.6041 51.0273 7.70548 49.6501 69.5993 TIMING: 3020600 CPU: 9097.4, 0.00297588/step Wall: 9097.4, 0.00297588/step, 1.63624 hours remaining, 210.484375 MB of memory in use. ENERGY: 3020600 752.7062 2074.5154 1919.0435 114.7815 -206215.8111 17924.9012 0.0000 0.0000 34365.5713 -149064.2921 300.1231 -183429.8634 -148972.6478 299.9966 -13.2879 17.4868 557196.7754 -8.7234 -8.5446 PRESSURE: 3020800 -48.1496 -59.5423 -47.5908 -59.5431 64.4957 63.6793 -47.5901 63.6798 -3.85868 GPRESSURE: 3020800 58.7941 0.0760598 -4.92812 -98.8427 40.0175 -6.72691 -69.7265 201.384 15.3822 PRESSAVG: 3020800 22.7855 -36.5702 -15.5397 -36.5703 -45.3166 34.9118 -15.5397 34.912 -10.8693 GPRESSAVG: 3020800 21.7862 -37.1658 -11.7946 -37.5073 -44.4732 37.4785 -17.9265 35.2234 -10.9934 TIMING: 3020800 CPU: 9098.01, 0.0030067/step Wall: 9098.01, 0.0030067/step, 1.65302 hours remaining, 210.484375 MB of memory in use. ENERGY: 3020800 760.5800 2163.0631 1940.0645 120.8050 -206669.6420 18007.3423 0.0000 0.0000 34385.4890 -149292.2981 300.2970 -183677.7871 -149197.2798 299.1065 4.1625 38.0646 556453.5451 -11.1335 -11.2268 PRESSURE: 3021000 -203.832 -137.867 36.7725 -137.867 260.543 108.618 36.7735 108.616 37.8331 GPRESSURE: 3021000 -117.643 -146.447 -18.8989 -89.7025 256.101 79.2411 -77.984 44.4415 42.4314 PRESSAVG: 3021000 26.1026 -49.601 -6.65577 -49.601 20.1813 50.4387 -6.65568 50.4387 -37.68 GPRESSAVG: 3021000 26.2569 -49.5377 -7.45347 -48.9793 20.2245 48.9507 -7.04434 51.2696 -38.2114 TIMING: 3021000 CPU: 9098.61, 0.00301097/step Wall: 9098.61, 0.00301097/step, 1.6552 hours remaining, 210.484375 MB of memory in use. ENERGY: 3021000 724.2096 2151.5919 1955.2944 119.6080 -206451.4620 17827.1130 0.0000 0.0000 34234.1820 -149439.4631 298.9756 -183673.6451 -149337.7339 299.2915 31.5149 60.2966 556649.0075 2.8679 2.7567 PRESSURE: 3021200 -78.3705 101.212 -90.1102 101.212 -67.9545 -46.4769 -90.11 -46.4777 -102.965 GPRESSURE: 3021200 -44.6101 125.87 -50.2663 41.9538 -10.9257 43.2596 -156.076 -139.722 -86.014 PRESSAVG: 3021200 -15.2742 -20.7781 -54.7562 -20.778 11.8827 73.0389 -54.7563 73.0388 19.791 GPRESSAVG: 3021200 -14.6579 -21.818 -56.627 -19.4546 10.9844 74.0293 -56.2731 71.5045 19.8184 TIMING: 3021200 CPU: 9099.21, 0.00299748/step Wall: 9099.21, 0.00299748/step, 1.64762 hours remaining, 210.484375 MB of memory in use. ENERGY: 3021200 776.1719 2109.1637 1940.0682 116.3972 -206837.7781 18028.9809 0.0000 0.0000 34196.0171 -149670.9791 298.6423 -183866.9962 -149574.8038 298.4068 -83.0966 -47.1833 557018.6379 5.4665 5.3816 PRESSURE: 3021400 220.788 -86.6616 134.128 -86.6624 -358.452 233.677 134.128 233.678 54.181 GPRESSURE: 3021400 245.169 -125.923 72.2841 -72.2589 -310.541 259.44 122.216 254.876 73.8285 PRESSAVG: 3021400 61.6172 -29.4527 -4.98266 -29.4526 -3.68276 59.7629 -4.98273 59.7628 -15.9123 GPRESSAVG: 3021400 60.2576 -28.7055 -2.6539 -28.4348 -4.08469 61.4411 -4.27708 59.4277 -14.4994 TIMING: 3021400 CPU: 9099.81, 0.00299169/step Wall: 9099.81, 0.00299169/step, 1.64426 hours remaining, 210.484375 MB of memory in use. ENERGY: 3021400 774.7140 2111.3741 1961.1621 131.4937 -206420.2157 17861.3827 0.0000 0.0000 34042.8962 -149537.1929 297.3051 -183580.0891 -149447.7420 298.0381 -27.8276 2.8188 557468.0142 14.0074 13.8912 PRESSURE: 3021600 -36.7024 -57.4896 8.83623 -57.4901 -81.4517 91.5816 8.83503 91.5807 72.1862 GPRESSURE: 3021600 10.4069 -51.2545 -31.7109 -103.621 -53.2486 49.8521 79.1097 82.6195 98.6034 PRESSAVG: 3021600 40.9562 4.50407 0.462188 4.50398 0.339527 34.8134 0.462101 34.8133 -45.7941 GPRESSAVG: 3021600 42.5885 3.98745 -1.55632 3.34464 -0.0362127 32.6675 2.3612 37.0502 -47.4806 TIMING: 3021600 CPU: 9100.41, 0.00301021/step Wall: 9100.41, 0.00301021/step, 1.65428 hours remaining, 210.484375 MB of memory in use. ENERGY: 3021600 726.7346 2104.7728 1940.3576 111.3711 -206146.0559 17681.9208 0.0000 0.0000 34166.8191 -149414.0801 298.3873 -183580.8992 -149320.5602 298.3236 -15.3226 18.5872 556676.4819 -1.4995 -1.6428 PRESSURE: 3021800 113.398 126.277 29.0622 126.276 -78.3494 -62.0589 29.0613 -62.0595 -128.503 GPRESSURE: 3021800 83.6737 89.7683 -53.374 82.8696 -11.3895 12.4464 57.0163 -118.849 -82.9447 PRESSAVG: 3021800 60.8669 28.2457 2.60763 28.2457 -38.2369 27.9735 2.6075 27.9735 -18.9433 GPRESSAVG: 3021800 60.3158 29.255 3.62391 27.4464 -37.982 28.0642 2.50263 26.8983 -19.0393 TIMING: 3021800 CPU: 9101.01, 0.00301627/step Wall: 9101.01, 0.00301627/step, 1.65744 hours remaining, 210.484375 MB of memory in use. ENERGY: 3021800 756.1366 2034.9710 1918.1356 125.8378 -206400.5246 17807.5649 0.0000 0.0000 34376.5466 -149381.3322 300.2189 -183757.8787 -149279.8674 299.1032 -31.1514 -3.5535 557064.7667 1.2289 1.0982 PRESSURE: 3022000 112.279 -80.5781 -12.51 -80.5777 138.004 -11.7782 -12.5091 -11.7784 80.0621 GPRESSURE: 3022000 74.3218 -97.2506 -53.2277 -112.257 237.328 -3.93403 -9.75958 -16.6923 115.933 PRESSAVG: 3022000 31.8067 13.0047 -18.9481 13.0047 6.12152 -9.4676 -18.9481 -9.46755 -31.3165 GPRESSAVG: 3022000 30.6312 14.9679 -19.5573 12.1368 6.09525 -9.90566 -19.3961 -9.84821 -30.1804 TIMING: 3022000 CPU: 9101.62, 0.00302103/step Wall: 9101.62, 0.00302103/step, 1.65989 hours remaining, 210.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3022000 716.4691 2064.4449 1937.4242 111.5005 -206498.5546 17980.3697 0.0000 0.0000 34245.4538 -149442.8925 299.0741 -183688.3463 -149348.8262 298.9409 110.1151 142.5278 557401.7403 2.2039 2.1820 PRESSURE: 3022200 -139.449 127.688 -16.315 127.688 -188.42 84.8555 -16.3143 84.8549 -439.575 GPRESSURE: 3022200 -181.805 89.7153 -0.398163 100.37 -179.153 102.673 -74.4119 71.5109 -330.609 PRESSAVG: 3022200 15.4468 8.36304 72.2469 8.36301 -16.8962 -62.5769 72.2469 -62.577 13.5276 GPRESSAVG: 3022200 16.0004 6.17935 73.301 9.80979 -17.7269 -63.5879 72.4729 -60.7562 13.8885 TIMING: 3022200 CPU: 9102.22, 0.00302063/step Wall: 9102.22, 0.00302063/step, 1.6595 hours remaining, 210.484375 MB of memory in use. ENERGY: 3022200 753.5128 2101.1711 1941.2384 121.4612 -206101.2677 17400.7913 0.0000 0.0000 34343.5339 -149439.5590 299.9306 -183783.0928 -149342.1956 298.7798 -255.8147 -230.5223 556811.1243 4.0261 4.0540 PRESSURE: 3022400 54.7629 85.2253 -32.7506 85.2265 -378.348 64.5066 -32.7503 64.5049 127.689 GPRESSURE: 3022400 104.137 84.5366 -31.5886 192.312 -319.482 89.444 -69.0454 67.9236 117.084 PRESSAVG: 3022400 -0.255535 -10.7111 20.451 -10.7112 28.4109 -7.86494 20.4509 -7.86499 -63.2018 GPRESSAVG: 3022400 -0.707495 -11.6605 17.7089 -8.74175 30.5285 -8.0276 19.0494 -8.59721 -64.6294 TIMING: 3022400 CPU: 9102.82, 0.0030216/step Wall: 9102.82, 0.0030216/step, 1.65986 hours remaining, 210.484375 MB of memory in use. ENERGY: 3022400 740.0256 2097.3350 1920.1100 104.6667 -206207.9055 17683.4039 0.0000 0.0000 34317.9136 -149344.4507 299.7069 -183662.3644 -149243.5690 299.1070 -65.2987 -32.7538 556716.3005 -11.6821 -11.6028 PRESSURE: 3022600 -189.119 7.98294 -11.1597 7.98261 -15.0996 126.169 -11.1591 126.169 190.048 GPRESSURE: 3022600 -111.568 32.3636 50.3698 -91.9467 38.1134 76.6797 -56.4757 28.9674 154.921 PRESSAVG: 3022600 28.0701 13.8699 -6.09017 13.8698 -2.33191 33.4201 -6.09016 33.4201 -56.594 GPRESSAVG: 3022600 28.0148 13.9644 -6.00706 10.6051 -2.79444 35.355 -4.83369 31.1252 -56.1719 TIMING: 3022600 CPU: 9103.42, 0.00300197/step Wall: 9103.42, 0.00300197/step, 1.64892 hours remaining, 210.484375 MB of memory in use. ENERGY: 3022600 773.0778 2141.1358 1953.0346 113.1551 -206219.3693 17796.9337 0.0000 0.0000 34373.4352 -149068.5971 300.1918 -183442.0323 -148971.8023 299.4405 -4.7237 27.1555 556325.4342 -10.2853 -10.3172 PRESSURE: 3022800 -225.097 104.441 7.47206 104.441 -37.2731 221.857 7.47246 221.859 -176.133 GPRESSURE: 3022800 -153.972 64.2441 24.4609 86.5813 -24.7028 297.131 17.6095 227.846 -178.553 PRESSAVG: 3022800 24.141 -18.5437 28.118 -18.5436 14.8281 28.9325 28.1179 28.9325 -53.1196 GPRESSAVG: 3022800 24.0399 -19.7674 28.3453 -16.1554 13.7384 27.5796 28.3917 30.2394 -51.3241 TIMING: 3022800 CPU: 9104.03, 0.00304056/step Wall: 9104.03, 0.00304056/step, 1.66994 hours remaining, 210.484375 MB of memory in use. ENERGY: 3022800 751.1267 2075.7117 1927.9220 110.0512 -206059.9005 17519.7500 0.0000 0.0000 34295.5943 -149379.7446 299.5120 -183675.3389 -149281.3027 299.4836 -146.1675 -119.0757 556065.6086 -4.7168 -4.5153 PRESSURE: 3023000 -60.2021 -32.6073 -28.8101 -32.6073 -233.863 22.3537 -28.8112 22.3552 110.192 GPRESSURE: 3023000 -59.003 -4.36357 38.7269 -24.6083 -192.702 -45.5807 -72.8225 42.5143 158.34 PRESSAVG: 3023000 8.78478 9.20558 4.34084 9.20554 -32.3109 54.1721 4.34078 54.172 13.7091 GPRESSAVG: 3023000 9.14934 11.5699 6.97958 9.54021 -31.873 55.7376 4.36056 54.3789 13.3567 TIMING: 3023000 CPU: 9104.64, 0.0030344/step Wall: 9104.64, 0.0030344/step, 1.66639 hours remaining, 210.484375 MB of memory in use. ENERGY: 3023000 724.7580 2078.2494 1940.5417 100.8967 -206141.9746 17676.1548 0.0000 0.0000 34420.9819 -149200.3922 300.6070 -183621.3741 -149105.2344 299.0435 -61.2910 -31.1218 556032.6035 -3.2723 -3.1223 PRESSURE: 3023200 -30.0499 195.124 -141.245 195.124 120.264 28.594 -141.244 28.5934 116.099 GPRESSURE: 3023200 -19.3809 219.492 -108.167 152.665 179.393 -7.0987 -107.392 -25.4307 140.374 PRESSAVG: 3023200 30.1309 -13.4043 -0.0103408 -13.4042 12.2222 -6.21536 -0.0103993 -6.21532 7.16554 GPRESSAVG: 3023200 29.9573 -14.0298 -1.57393 -14.2232 12.6246 -7.49285 -2.0175 -5.95046 6.65252 TIMING: 3023200 CPU: 9105.24, 0.00301408/step Wall: 9105.24, 0.00301408/step, 1.65507 hours remaining, 210.484375 MB of memory in use. ENERGY: 3023200 762.3479 2153.0422 1940.1955 113.0406 -205806.9817 17638.4202 0.0000 0.0000 34204.8279 -148995.1075 298.7193 -183199.9354 -148901.8489 299.5150 68.7708 100.1286 556142.0018 16.5062 16.4115 PRESSURE: 3023400 90.3454 54.116 56.4277 54.1159 -262.736 -20.4918 56.4275 -20.4906 -0.877761 GPRESSURE: 3023400 76.4595 -39.6786 73.5046 55.7807 -190.183 -9.38493 -39.1021 9.60152 45.3202 PRESSAVG: 3023400 5.96252 28.189 -9.2648 28.1889 -68.6512 28.9245 -9.26479 28.9246 25.5029 GPRESSAVG: 3023400 5.48491 27.7641 -10.5065 27.6203 -68.2773 29.3176 -5.35838 27.0445 25.7959 TIMING: 3023400 CPU: 9105.84, 0.00298707/step Wall: 9105.84, 0.00298707/step, 1.64007 hours remaining, 210.484375 MB of memory in use. ENERGY: 3023400 724.3570 2088.4810 1935.3736 115.6408 -205848.7476 17694.7944 0.0000 0.0000 34346.2160 -148943.8847 299.9540 -183290.1007 -148848.1762 300.1547 -57.7562 -22.8011 557548.2838 -12.3952 -12.3321 PRESSURE: 3023600 59.8579 -51.5927 -128.61 -51.5929 -54.8746 -106.234 -128.611 -106.234 49.557 GPRESSURE: 3023600 116.916 -30.8698 -60.446 -102.84 -48.2797 -28.1666 -106.672 -83.7349 75.2375 PRESSAVG: 3023600 -5.32971 6.73646 -59.1391 6.73653 -17.0539 31.4467 -59.1391 31.4466 9.70602 GPRESSAVG: 3023600 -3.95005 7.40345 -58.0494 8.18132 -17.2631 30.9561 -61.9602 32.9612 8.47326 TIMING: 3023600 CPU: 9106.44, 0.00298424/step Wall: 9106.44, 0.00298424/step, 1.63835 hours remaining, 210.484375 MB of memory in use. ENERGY: 3023600 761.1205 2126.4133 1978.9952 118.2294 -205685.5450 17593.7734 0.0000 0.0000 34339.1546 -148767.8586 299.8924 -183107.0133 -148670.5250 300.5899 18.1801 47.9580 556857.0162 -4.2259 -4.2466 PRESSURE: 3023800 144.566 98.734 44.7314 98.7332 -82.9436 157.98 44.7309 157.98 -36.7871 GPRESSURE: 3023800 229.567 28.0093 26.0377 39.1815 -41.7382 45.6794 72.9116 114.223 -53.7903 PRESSAVG: 3023800 6.20639 14.6767 -22.3204 14.6767 -71.0548 51.1053 -22.3204 51.1053 61.6632 GPRESSAVG: 3023800 5.569 13.6615 -21.2988 12.9862 -70.9254 50.9577 -21.096 52.2171 61.8664 TIMING: 3023800 CPU: 9107.04, 0.00302882/step Wall: 9107.04, 0.00302882/step, 1.66266 hours remaining, 210.484375 MB of memory in use. ENERGY: 3023800 796.9235 2045.9943 1949.5628 118.3136 -206125.7194 17896.2503 0.0000 0.0000 34303.4600 -149015.2150 299.5806 -183318.6749 -148917.7946 300.0609 8.2786 44.6794 557551.0770 -1.0617 -1.1633 PRESSURE: 3024000 174.377 -15.485 85.7958 -15.4854 -177.68 79.8617 85.7956 79.862 -20.2112 GPRESSURE: 3024000 206.717 -49.1776 150.901 -10.8979 -123.489 69.836 104.381 94.0868 -8.23916 PRESSAVG: 3024000 -12.0777 -23.3773 -6.64141 -23.3773 7.44328 7.53488 -6.64135 7.53473 -22.6933 GPRESSAVG: 3024000 -10.8064 -21.5245 -6.6551 -24.3353 6.57266 8.63715 -6.82393 6.4504 -23.118 TIMING: 3024000 CPU: 9107.65, 0.00304667/step Wall: 9107.65, 0.00304667/step, 1.67228 hours remaining, 210.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3024000 734.3672 2045.0640 1954.1508 112.9952 -206477.4857 18002.2740 0.0000 0.0000 34569.0804 -149059.5541 301.9004 -183628.6345 -148956.6095 299.7954 -7.8379 24.9964 558605.7964 -9.1092 -9.1172 PRESSURE: 3024200 104.65 127.123 28.6224 127.122 -182.618 70.4645 28.6243 70.4641 85.7933 GPRESSURE: 3024200 115.324 15.6322 -23.0278 165.404 -92.6967 3.75317 18.8587 66.653 75.0721 PRESSAVG: 3024200 10.3695 -4.55313 -21.876 -4.55309 17.6641 -12.4263 -21.8761 -12.4262 -17.7361 GPRESSAVG: 3024200 8.57584 -7.0324 -21.5441 -2.36516 19.2493 -14.0796 -24.2875 -11.9892 -17.7934 TIMING: 3024200 CPU: 9108.26, 0.00302107/step Wall: 9108.26, 0.00302107/step, 1.65806 hours remaining, 210.484375 MB of memory in use. ENERGY: 3024200 757.7394 2035.7152 1958.5765 121.2771 -205774.7952 17708.0829 0.0000 0.0000 34087.0953 -149106.3088 297.6911 -183193.4041 -149015.7096 298.9981 2.6082 32.5666 557373.5418 3.4325 3.3439 LDB: ============= START OF LOAD BALANCING ============== 9111.78 LDB: ============== END OF LOAD BALANCING =============== 9111.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9111.78 LDB: ============= START OF LOAD BALANCING ============== 9112.08 LDB: Largest compute 4794 load 0.028099 is 23.8% of average load 0.118056 LDB: Average compute 0.001731 is 1.5% of average load 0.118056 LDB: TIME 9112.08 LOAD: AVG 0.118056 MAX 0.211564 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.77 MB LDB: TIME 9112.08 LOAD: AVG 0.118056 MAX 0.211564 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.77 MB LDB: TIME 9112.08 LOAD: AVG 0.118056 MAX 0.211564 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.77 MB LDB: ============== END OF LOAD BALANCING =============== 9112.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9112.09 PRESSURE: 3024400 -324.806 -6.00152 -53.5509 -6.00234 -220.618 94.0343 -53.551 94.0342 94.8338 GPRESSURE: 3024400 -265.126 18.3336 -86.5073 -2.8129 -196.753 3.14557 -54.781 126.055 98.2627 PRESSAVG: 3024400 8.78527 3.54668 -20.377 3.54665 19.3061 -7.04993 -20.3769 -7.05002 -14.172 GPRESSAVG: 3024400 9.56367 4.98045 -22.0248 2.88621 18.7563 -4.44952 -19.4744 -6.60944 -14.4024 TIMING: 3024400 CPU: 9108.87, 0.0030754/step Wall: 9108.87, 0.0030754/step, 1.68771 hours remaining, 209.828125 MB of memory in use. ENERGY: 3024400 746.8157 2108.8928 1948.0089 120.2643 -205795.8871 17596.7485 0.0000 0.0000 34286.6198 -148988.5369 299.4336 -183275.1567 -148898.6580 299.7158 -150.1966 -121.2054 556952.5965 4.6398 4.6392 PRESSURE: 3024600 158.651 47.9857 -199.693 47.9861 -51.9559 94.3995 -199.693 94.4 24.2909 GPRESSURE: 3024600 167.396 36.7574 -187.715 -19.597 -0.594153 108.866 -192.759 76.2572 56.4964 PRESSAVG: 3024600 35.5787 -8.50421 -49.6952 -8.50423 -83.2859 -3.88937 -49.6952 -3.88939 49.76 GPRESSAVG: 3024600 34.6033 -8.27525 -49.5431 -8.88124 -82.9624 -4.86439 -49.8149 -5.32595 49.7527 TIMING: 3024600 CPU: 9109.47, 0.00300044/step Wall: 9109.47, 0.00300044/step, 1.64641 hours remaining, 210.031250 MB of memory in use. ENERGY: 3024600 773.1588 2085.3942 1911.7060 97.4737 -206175.1249 17824.6736 0.0000 0.0000 34231.8460 -149250.8726 298.9552 -183482.7186 -149157.3917 298.9492 43.6621 74.4329 556807.3679 0.6843 0.4645 PRESSURE: 3024800 90.6935 -86.644 -82.5735 -86.6448 165.646 30.7123 -82.5742 30.7127 74.9764 GPRESSURE: 3024800 137.704 -87.387 -66.3944 -133.479 197.656 -22.5296 -24.5517 129.326 94.9286 PRESSAVG: 3024800 12.4673 -15.8985 1.08319 -15.8984 -41.4266 11.7227 1.08324 11.7227 9.91434 GPRESSAVG: 3024800 13.0001 -17.9625 2.17725 -14.599 -41.7703 9.64956 0.284419 12.831 9.29632 TIMING: 3024800 CPU: 9110.07, 0.00299275/step Wall: 9110.07, 0.00299275/step, 1.64202 hours remaining, 210.031250 MB of memory in use. ENERGY: 3024800 785.0696 2104.5115 1921.3718 105.7480 -206341.3418 17925.4440 0.0000 0.0000 34199.9090 -149299.2879 298.6763 -183499.1969 -149202.2283 299.0133 110.4387 143.4296 556550.1219 -6.3483 -6.4913 PRESSURE: 3025000 -102.635 107.337 107.616 107.338 -82.8873 83.4805 107.617 83.4806 -129.58 GPRESSURE: 3025000 -74.3858 100.899 60.0094 157.295 -74.4129 41.8408 22.1097 197.84 -64.6753 PRESSAVG: 3025000 37.7486 32.6343 12.2553 32.6343 83.2405 38.5929 12.2554 38.593 -50.693 GPRESSAVG: 3025000 37.4886 33.9865 10.3004 32.7697 83.4698 40.7458 12.2491 38.0904 -50.6327 TIMING: 3025000 CPU: 9110.67, 0.00299296/step Wall: 9110.67, 0.00299296/step, 1.64197 hours remaining, 210.031250 MB of memory in use. ENERGY: 3025000 757.3190 2150.7890 1942.6863 125.6758 -205979.8722 17591.2182 0.0000 0.0000 34377.5698 -149034.6140 300.2279 -183412.1839 -148934.7553 299.5794 -105.0341 -71.1580 557443.9931 23.4320 23.4419 PRESSURE: 3025200 93.3936 -72.153 -86.4909 -72.152 184.633 87.7278 -86.4899 87.728 -181.088 GPRESSURE: 3025200 112.527 8.38077 21.9458 -155.873 190.327 72.3085 -100.372 66.7066 -108.543 PRESSAVG: 3025200 37.0222 -32.5798 5.02584 -32.5798 6.09643 21.4647 5.02579 21.4648 -31.24 GPRESSAVG: 3025200 37.4841 -31.6644 7.84431 -32.726 5.23584 21.3844 4.70747 21.7597 -30.6543 TIMING: 3025200 CPU: 9111.27, 0.00300239/step Wall: 9111.27, 0.00300239/step, 1.64698 hours remaining, 210.031250 MB of memory in use. ENERGY: 3025200 725.7660 2109.9221 1940.4066 126.8773 -206341.0983 17959.4126 0.0000 0.0000 34284.7117 -149194.0020 299.4169 -183478.7137 -149099.2210 300.0925 32.3131 64.7700 557868.2350 3.9595 4.0219 PRESSURE: 3025400 232.856 43.7884 -259.898 43.7887 -389.397 89.7998 -259.897 89.798 -44.344 GPRESSURE: 3025400 255.268 74.5759 -191.119 52.9195 -347.747 157.192 -263.666 61.9981 -24.8945 PRESSAVG: 3025400 82.1491 -7.67995 15.897 -7.67991 11.3403 -30.075 15.897 -30.0752 -39.6399 GPRESSAVG: 3025400 83.0093 -7.28543 13.0574 -8.91779 12.9647 -30.6188 17.5868 -33.1423 -41.8287 TIMING: 3025400 CPU: 9111.87, 0.00300486/step Wall: 9111.87, 0.00300486/step, 1.64817 hours remaining, 210.292969 MB of memory in use. ENERGY: 3025400 725.3863 2133.9323 1958.7745 110.5325 -206109.2192 17626.0521 0.0000 0.0000 34218.2392 -149336.3022 298.8364 -183554.5414 -149235.9344 299.6529 -66.9615 -39.1242 557699.8351 17.9498 18.0484 PRESSURE: 3025600 -141.481 -111.626 -89.0226 -111.626 -147.591 -23.656 -89.022 -23.6575 -276.903 GPRESSURE: 3025600 -121.245 -174.707 -153.902 -37.3201 -128.395 -58.8726 -59.4658 -55.3546 -208.854 PRESSAVG: 3025600 19.3539 -59.416 -18.9264 -59.416 -27.4713 -17.76 -18.9265 -17.76 28.0443 GPRESSAVG: 3025600 18.9481 -59.7505 -16.3863 -58.7837 -27.2466 -18.3291 -21.5482 -14.9996 28.9304 TIMING: 3025600 CPU: 9112.47, 0.00299985/step Wall: 9112.47, 0.00299985/step, 1.64525 hours remaining, 210.292969 MB of memory in use. ENERGY: 3025600 747.6288 2111.8703 1984.8749 116.8635 -206145.9586 17611.8198 0.0000 0.0000 34223.9170 -149348.9843 298.8860 -183572.9013 -149257.9700 299.2339 -188.6581 -152.8315 557858.4106 6.6423 6.8773 PRESSURE: 3025800 213.726 -75.8367 48.7895 -75.8377 159.787 -92.3745 48.7898 -92.3733 -91.0881 GPRESSURE: 3025800 206.646 -90.4477 98.8271 -80.0346 157.277 -134.597 0.414578 -32.7544 20.792 PRESSAVG: 3025800 21.8608 15.5418 22.2798 15.5418 24.6448 -17.4847 22.2797 -17.4848 -38.7154 GPRESSAVG: 3025800 22.8575 13.7287 22.9808 16.7212 23.3556 -15.7167 21.6304 -15.6814 -38.1426 TIMING: 3025800 CPU: 9113.07, 0.00301493/step Wall: 9113.07, 0.00301493/step, 1.65336 hours remaining, 210.292969 MB of memory in use. ENERGY: 3025800 731.3361 2108.2178 1951.4665 118.4407 -206577.4291 17947.7291 0.0000 0.0000 34464.3079 -149255.9311 300.9854 -183720.2390 -149156.6337 299.6382 94.1416 128.2383 555945.5814 2.5967 2.6902 PRESSURE: 3026000 18.8516 58.398 4.86576 58.3971 211.935 63.4144 4.86556 63.4142 -38.3609 GPRESSURE: 3026000 61.0861 91.0482 125.374 96.8331 187.707 43.992 -71.7229 8.58948 22.5132 PRESSAVG: 3026000 37.0236 -43.9997 -41.668 -43.9997 -46.5072 11.8467 -41.6681 11.8468 -2.35739 GPRESSAVG: 3026000 36.6795 -42.245 -42.0063 -46.5876 -47.1696 10.5238 -40.9985 7.87285 -1.04124 TIMING: 3026000 CPU: 9113.68, 0.00301375/step Wall: 9113.68, 0.00301375/step, 1.65254 hours remaining, 210.292969 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: 3026000 691.4284 2076.0348 1936.0651 117.7004 -206296.5550 17689.0798 0.0000 0.0000 34445.9317 -149340.3146 300.8249 -183786.2464 -149237.9765 300.0297 64.1419 90.4355 556448.8944 -3.9470 -3.8438 PRESSURE: 3026200 102.144 108.712 -7.20487 108.711 -20.6146 66.3793 -7.20449 66.381 -97.0079 GPRESSURE: 3026200 120.955 71.1879 -49.1688 133.496 12.9489 111.767 52.8502 70.0876 -46.5576 PRESSAVG: 3026200 -27.7594 73.8924 -16.2035 73.8925 -47.3485 51.8093 -16.2034 51.8092 91.5885 GPRESSAVG: 3026200 -28.5115 72.4918 -16.6111 77.0734 -45.1637 51.7621 -16.0507 52.7026 90.858 TIMING: 3026200 CPU: 9114.28, 0.00301364/step Wall: 9114.28, 0.00301364/step, 1.65231 hours remaining, 210.292969 MB of memory in use. ENERGY: 3026200 754.4655 2114.0933 1924.1643 108.5684 -206468.2137 17949.1046 0.0000 0.0000 34272.6653 -149345.1522 299.3117 -183617.8175 -149250.6152 299.3875 -5.1594 29.1152 557764.7749 5.4935 5.7276 PRESSURE: 3026400 110.304 -39.5042 -88.5527 -39.5037 -238.259 -60.7669 -88.5527 -60.7678 -254.535 GPRESSURE: 3026400 148.906 -8.22598 -30.8863 -82.5534 -219.628 12.9515 15.6879 -161.304 -215.065 PRESSAVG: 3026400 37.2171 -16.1012 -6.14961 -16.1012 -30.8189 -11.3779 -6.14955 -11.3779 20.9134 GPRESSAVG: 3026400 37.6908 -15.1578 -5.72888 -17.2703 -31.1614 -10.8744 -4.0397 -10.0719 20.6925 TIMING: 3026400 CPU: 9114.88, 0.00302142/step Wall: 9114.88, 0.00302142/step, 1.65641 hours remaining, 210.292969 MB of memory in use. ENERGY: 3026400 768.6301 2160.7903 1888.5564 106.7246 -206197.8062 17783.8057 0.0000 0.0000 34208.4863 -149280.8128 298.7512 -183489.2992 -149186.1812 299.9461 -127.4969 -95.2622 557850.7390 9.1039 9.0740 PRESSURE: 3026600 -117.192 112.148 -1.81498 112.147 81.4013 11.8808 -1.815 11.8803 57.681 GPRESSURE: 3026600 -59.1645 158.02 -46.4697 112.371 108.619 -138.511 -1.28744 48.8543 87.2976 PRESSAVG: 3026600 -14.9927 6.94131 15.8031 6.94128 28.9741 -42.4791 15.8031 -42.479 -3.00209 GPRESSAVG: 3026600 -15.0215 5.7221 14.4326 8.90936 29.3088 -44.3783 15.6321 -41.3438 -2.94532 TIMING: 3026600 CPU: 9115.48, 0.00298734/step Wall: 9115.48, 0.00298734/step, 1.63756 hours remaining, 210.292969 MB of memory in use. ENERGY: 3026600 741.0727 2062.9487 1918.7622 114.5639 -206261.1701 17742.8938 0.0000 0.0000 34289.6580 -149391.2708 299.4601 -183680.9289 -149287.3613 298.6596 7.2969 45.5839 555639.9098 3.6597 3.7806 PRESSURE: 3026800 0.812541 105.774 -114.571 105.775 147.934 70.2172 -114.571 70.2177 297.544 GPRESSURE: 3026800 64.4881 175.93 -255.334 40.7189 195.818 79.004 -98.0441 63.6847 279.767 PRESSAVG: 3026800 -31.066 15.1091 -0.28361 15.109 14.3766 34.2424 -0.283611 34.2425 -28.2043 GPRESSAVG: 3026800 -31.7092 16.3713 1.07335 12.6133 14.3927 35.3885 -0.839602 32.1162 -27.9358 TIMING: 3026800 CPU: 9116.08, 0.00300039/step Wall: 9116.08, 0.00300039/step, 1.64455 hours remaining, 210.292969 MB of memory in use. ENERGY: 3026800 745.9518 2067.1498 1940.8592 113.2402 -206799.7927 18196.4409 0.0000 0.0000 34425.3640 -149310.7868 300.6453 -183736.1509 -149211.8809 298.2283 148.7634 180.0246 557425.1307 -14.9646 -15.0841 PRESSURE: 3027000 -238.609 -29.3849 25.2796 -29.3853 -206.624 -144.648 25.2791 -144.65 -35.5748 GPRESSURE: 3027000 -158.987 -51.738 8.29726 -75.8174 -188.597 -185.662 49.6126 -164.124 -45.0768 PRESSAVG: 3027000 5.96694 -3.0194 -3.48409 -3.01949 -19.0901 -28.4548 -3.48413 -28.4548 -4.36536 GPRESSAVG: 3027000 5.72439 -2.46331 -4.66774 -3.07453 -19.761 -27.2336 -3.50708 -29.8565 -3.6632 TIMING: 3027000 CPU: 9116.68, 0.00298609/step Wall: 9116.68, 0.00298609/step, 1.63654 hours remaining, 210.292969 MB of memory in use. ENERGY: 3027000 765.6060 2061.6301 1959.2725 110.2401 -206066.3946 17521.6914 0.0000 0.0000 34206.7919 -149441.1626 298.7364 -183647.9545 -149340.2350 299.1410 -160.2693 -130.8871 556715.4138 -5.8295 -5.8999 PRESSURE: 3027200 -57.515 -112.407 -61.6019 -112.407 -146.537 74.2273 -61.6001 74.2282 -101.407 GPRESSURE: 3027200 -121.462 -107.719 -154.196 -43.9696 -112.956 58.3073 36.8245 116.546 19.5526 PRESSAVG: 3027200 -71.4821 -17.9199 -12.2693 -17.9201 60.4122 -29.367 -12.2692 -29.367 18.976 GPRESSAVG: 3027200 -71.2395 -20.292 -8.98854 -15.9104 60.2856 -32.0067 -11.3699 -25.9219 18.4317 TIMING: 3027200 CPU: 9117.27, 0.00296886/step Wall: 9117.27, 0.00296886/step, 1.62694 hours remaining, 210.292969 MB of memory in use. ENERGY: 3027200 739.8407 2087.9475 1918.2357 97.7879 -205885.1145 17470.5581 0.0000 0.0000 34312.5787 -149258.1659 299.6603 -183570.7446 -149163.7706 299.0613 -101.8198 -71.6218 556590.0794 2.6354 2.4926 PRESSURE: 3027400 64.7944 -70.1434 -171.636 -70.1435 8.29045 -42.004 -171.635 -42.0049 -18.3871 GPRESSURE: 3027400 117.729 -35.4005 -223.497 -81.1134 -14.3363 -80.7851 -113.462 -92.4796 42.1397 PRESSAVG: 3027400 47.8168 11.809 -18.6748 11.809 -28.0815 32.0237 -18.6748 32.0239 21.5712 GPRESSAVG: 3027400 48.7068 12.3508 -20.8842 9.87233 -28.577 33.7667 -19.4237 29.8868 21.3819 TIMING: 3027400 CPU: 9117.87, 0.00297444/step Wall: 9117.87, 0.00297444/step, 1.62983 hours remaining, 210.292969 MB of memory in use. ENERGY: 3027400 728.2936 2159.4775 1935.4913 96.9435 -206220.8395 17706.9356 0.0000 0.0000 34376.0854 -149217.6125 300.2149 -183593.6979 -149114.6658 299.1350 18.2326 48.5106 557511.5418 13.7688 13.8372 PRESSURE: 3027600 -42.9051 -17.2067 173.421 -17.2072 -274.854 -16.811 173.422 -16.8117 -147.3 GPRESSURE: 3027600 43.7911 40.0532 99.3524 -117.981 -295.219 -28.8562 238.392 -38.1351 -105.741 PRESSAVG: 3027600 3.78668 -24.0933 9.32498 -24.0933 29.3373 -5.5218 9.32502 -5.52176 -35.2864 GPRESSAVG: 3027600 3.32018 -22.0715 9.51939 -23.7569 29.2359 -7.35136 11.4517 -5.03046 -35.1485 TIMING: 3027600 CPU: 9118.46, 0.00299469/step Wall: 9118.46, 0.00299469/step, 1.64076 hours remaining, 210.292969 MB of memory in use. ENERGY: 3027600 792.0718 2128.8270 1949.7826 112.4600 -206407.4777 17865.8223 0.0000 0.0000 34290.0798 -149268.4341 299.4638 -183558.5140 -149177.8998 298.7036 -155.0198 -119.0562 557708.5110 -0.7208 -0.8641 PRESSURE: 3027800 134.277 -1.75671 -189.333 -1.757 42.1664 49.9988 -189.333 49.997 -71.2504 GPRESSURE: 3027800 141.876 -21.114 -79.7327 -41.6396 71.0654 -33.623 -257.381 72.958 -5.86017 PRESSAVG: 3027800 26.5948 -5.70482 42.4819 -5.70473 -35.0639 18.1735 42.482 18.1735 -0.43583 GPRESSAVG: 3027800 27.1191 -9.86516 43.0364 -3.88564 -34.5427 19.6808 41.2324 19.0285 -1.15625 TIMING: 3027800 CPU: 9119.06, 0.00297386/step Wall: 9119.06, 0.00297386/step, 1.62918 hours remaining, 210.292969 MB of memory in use. ENERGY: 3027800 765.4340 2103.9722 1947.9857 116.9048 -206498.3002 18010.2877 0.0000 0.0000 34339.4119 -149214.3038 299.8946 -183553.7158 -149116.3129 299.2736 35.0642 69.0272 558053.7613 -2.9683 -2.8600 PRESSURE: 3028000 -31.8869 56.1886 31.6565 56.1891 -87.3169 135.115 31.6577 135.116 19.7773 GPRESSURE: 3028000 -26.4923 81.9412 23.5609 91.9093 -21.1619 101.755 -6.8285 194.109 53.7967 PRESSAVG: 3028000 44.2777 -7.22666 -2.59453 -7.22678 -37.2496 6.54123 -2.59444 6.54117 3.65977 GPRESSAVG: 3028000 44.1881 -3.86122 -3.64829 -8.29908 -36.537 5.86181 -1.40165 7.94762 3.30203 TIMING: 3028000 CPU: 9119.65, 0.00296337/step Wall: 9119.65, 0.00296337/step, 1.62327 hours remaining, 210.292969 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: 3028000 762.6042 2124.9207 1930.0996 110.4908 -206437.0292 17946.7643 0.0000 0.0000 34308.3901 -149253.7596 299.6237 -183562.1497 -149159.4088 299.8016 -33.1422 2.0475 558226.7041 3.5626 3.6510 PRESSURE: 3028200 -13.4807 110.175 -84.1542 110.176 -180.366 -58.7139 -84.1537 -58.7136 20.9148 GPRESSURE: 3028200 19.8559 202.767 -32.76 55.1761 -151.203 -68.8336 -41.6173 -81.5904 53.7041 PRESSAVG: 3028200 43.9794 -22.2799 9.32979 -22.2799 -18.8855 48.396 9.32976 48.3961 -41.963 GPRESSAVG: 3028200 44.1135 -22.4151 9.88617 -23.125 -20.3081 46.5262 7.02073 47.2415 -40.6928 TIMING: 3028200 CPU: 9120.25, 0.00296916/step Wall: 9120.25, 0.00296916/step, 1.62627 hours remaining, 210.292969 MB of memory in use. ENERGY: 3028200 710.0835 2142.6016 1957.9170 116.7825 -206216.5641 17593.3806 0.0000 0.0000 34398.8519 -149296.9470 300.4137 -183695.7989 -149195.8142 298.9893 -57.6439 -25.8809 556379.6769 -5.6230 -5.6291 LDB: ============= START OF LOAD BALANCING ============== 9123.76 LDB: ============== END OF LOAD BALANCING =============== 9123.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9123.76 LDB: ============= START OF LOAD BALANCING ============== 9124.06 LDB: Largest compute 4794 load 0.027867 is 23.6% of average load 0.118137 LDB: Average compute 0.001721 is 1.5% of average load 0.118137 LDB: TIME 9124.06 LOAD: AVG 0.118137 MAX 0.204628 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.18 MB LDB: TIME 9124.06 LOAD: AVG 0.118137 MAX 0.204628 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.18 MB LDB: TIME 9124.06 LOAD: AVG 0.118137 MAX 0.204628 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.18 MB LDB: ============== END OF LOAD BALANCING =============== 9124.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9124.07 PRESSURE: 3028400 148.847 -70.4763 -78.2326 -70.4764 207.692 -115.258 -78.2329 -115.259 22.2867 GPRESSURE: 3028400 189.016 -118.065 -136.406 -31.3004 235.481 -12.5073 -159.249 -115.06 55.2001 PRESSAVG: 3028400 42.6405 24.0626 -47.5918 24.0625 -38.734 -22.9925 -47.5919 -22.9926 3.63121 GPRESSAVG: 3028400 41.3307 22.832 -47.5494 26.3385 -36.9223 -21.4732 -46.9962 -22.1609 3.05509 TIMING: 3028400 CPU: 9120.85, 0.00302966/step Wall: 9120.85, 0.00302966/step, 1.65924 hours remaining, 209.199219 MB of memory in use. ENERGY: 3028400 725.6273 2093.1469 1947.8892 106.4945 -206270.1373 17813.8198 0.0000 0.0000 34233.4815 -149349.6782 298.9695 -183583.1596 -149249.2959 299.4222 126.2751 159.8990 556029.7766 2.5126 2.4879 PRESSURE: 3028600 -209.816 -18.8776 -125.485 -18.8765 -157.127 50.4643 -125.485 50.4646 153.015 GPRESSURE: 3028600 -175.934 -104.936 -65.6175 31.2842 -66.8463 -15.2173 -113.472 127.664 125.85 PRESSAVG: 3028600 55.6767 15.8611 -47.9522 15.8611 -56.2 -48.2417 -47.9522 -48.2417 0.328326 GPRESSAVG: 3028600 56.5832 16.7625 -46.7363 15.0015 -56.0574 -46.9946 -50.222 -50.9439 -0.716744 TIMING: 3028600 CPU: 9121.44, 0.00293408/step Wall: 9121.44, 0.00293408/step, 1.60674 hours remaining, 209.402344 MB of memory in use. ENERGY: 3028600 740.0391 2052.7707 1950.0852 113.3146 -206250.3147 17713.1774 0.0000 0.0000 34182.5499 -149498.3777 298.5247 -183680.9276 -149400.5663 298.6212 -71.3093 -38.9767 557164.2126 -0.0650 -0.0636 PRESSURE: 3028800 96.8576 39.4192 -24.623 39.4186 149.474 1.18547 -24.6231 1.18528 98.706 GPRESSURE: 3028800 68.8171 66.5791 -45.2204 17.3669 227.795 72.8675 -57.5437 51.3656 158.527 PRESSAVG: 3028800 -21.2258 -25.4485 -26.2164 -25.4485 -21.1555 65.0385 -26.2163 65.0385 59.088 GPRESSAVG: 3028800 -21.3361 -25.7153 -25.0486 -26.8743 -22.2014 64.4134 -25.6232 65.517 60.1619 TIMING: 3028800 CPU: 9122.03, 0.00296092/step Wall: 9122.03, 0.00296092/step, 1.62127 hours remaining, 209.527344 MB of memory in use. ENERGY: 3028800 787.5827 2055.4592 1960.1412 117.9579 -206515.4886 18010.4245 0.0000 0.0000 34145.1712 -149438.7519 298.1983 -183583.9231 -149341.2850 298.8345 115.0125 151.7131 556758.0071 5.5689 5.5415 PRESSURE: 3029000 441.855 -226.094 60.4002 -226.095 -48.404 29.3265 60.4013 29.3267 146.294 GPRESSURE: 3029000 488.568 -304.32 -7.73395 -213.611 -11.1897 68.9303 62.2579 -5.12516 169.249 PRESSAVG: 3029000 44.9891 4.76411 2.42086 4.764 -18.8135 75.8292 2.42092 75.8293 -3.93922 GPRESSAVG: 3029000 46.3186 3.57349 0.845528 7.65541 -19.004 76.7404 4.16759 76.0347 -4.9464 TIMING: 3029000 CPU: 9122.63, 0.00299606/step Wall: 9122.63, 0.00299606/step, 1.64034 hours remaining, 209.527344 MB of memory in use. ENERGY: 3029000 729.2790 2102.8455 1952.8334 119.8979 -206455.3935 18039.5609 0.0000 0.0000 34008.6940 -149502.2828 297.0064 -183510.9768 -149407.6887 298.7693 179.9149 215.5422 556541.2718 7.4121 7.4560 PRESSURE: 3029200 -121.015 41.0208 69.0967 41.0211 58.4908 -154.087 69.0969 -154.085 -173.734 GPRESSURE: 3029200 -29.2186 5.08266 146.552 66.3158 46.7105 -172.518 34.7623 -135.675 -152.549 PRESSAVG: 3029200 70.7695 4.89315 -9.52885 4.89317 -61.671 69.9937 -9.52879 69.9938 28.6172 GPRESSAVG: 3029200 69.8018 4.63631 -9.32122 6.43067 -61.548 69.6606 -11.432 70.5651 28.9318 TIMING: 3029200 CPU: 9123.23, 0.00297368/step Wall: 9123.23, 0.00297368/step, 1.62793 hours remaining, 209.527344 MB of memory in use. ENERGY: 3029200 753.1831 2051.4396 1935.9934 118.4059 -206034.9711 17706.6548 0.0000 0.0000 34084.5878 -149384.7065 297.6692 -183469.2943 -149280.2637 298.4381 -78.7526 -45.0190 557148.0899 12.5719 12.3952 PRESSURE: 3029400 -61.3669 149.862 -28.0414 149.863 -13.7286 5.85945 -28.041 5.86018 144.297 GPRESSURE: 3029400 -4.11037 235.007 53.3315 75.8842 -38.1289 -24.7135 -32.7218 50.9502 233.222 PRESSAVG: 3029400 14.9587 -0.63919 -33.5739 -0.639212 -38.3637 58.2755 -33.574 58.2755 12.4807 GPRESSAVG: 3029400 13.7927 0.349962 -33.7209 -2.83285 -36.4545 58.3248 -31.8174 59.0529 11.8939 TIMING: 3029400 CPU: 9123.82, 0.00298653/step Wall: 9123.82, 0.00298653/step, 1.6348 hours remaining, 209.527344 MB of memory in use. ENERGY: 3029400 703.3268 2061.6246 1927.5287 97.8916 -206130.5356 17864.4679 0.0000 0.0000 34234.5240 -149241.1721 298.9786 -183475.6961 -149146.9699 298.8373 23.0672 63.6610 558531.6863 -3.6414 -3.5893 PRESSURE: 3029600 134.732 -19.8578 -42.2408 -19.8573 83.7494 -111.646 -42.2404 -111.646 -80.4539 GPRESSURE: 3029600 173.451 -129.487 -100.066 27.2242 140.04 -66.5721 -62.7183 -142.385 -86.1527 PRESSAVG: 3029600 -48.9687 37.3811 62.2046 37.3812 20.4464 23.5648 62.2046 23.5648 42.2055 GPRESSAVG: 3029600 -48.4681 37.2882 62.9929 37.1702 19.9748 23.9773 61.3566 22.1928 42.3564 TIMING: 3029600 CPU: 9124.42, 0.00299184/step Wall: 9124.42, 0.00299184/step, 1.63753 hours remaining, 209.527344 MB of memory in use. ENERGY: 3029600 703.5886 2099.1223 1940.5946 133.1505 -206287.3088 17861.7992 0.0000 0.0000 34133.4135 -149415.6401 298.0956 -183549.0536 -149322.2856 298.7086 46.0092 75.7795 556984.5928 4.5611 4.6210 PRESSURE: 3029800 -215.985 9.81648 53.5876 9.81547 179.924 72.7704 53.5867 72.7704 -59.561 GPRESSURE: 3029800 -171.761 -81.741 124.231 10.8396 166.929 -13.0542 32.2756 83.4235 2.18241 PRESSAVG: 3029800 -30.1718 11.5301 11.506 11.5301 9.72428 22.0222 11.506 22.0222 6.71175 GPRESSAVG: 3029800 -29.74 11.1325 10.9882 10.5758 9.27161 21.2557 12.1372 24.3893 6.68487 TIMING: 3029800 CPU: 9125.02, 0.00299651/step Wall: 9125.02, 0.00299651/step, 1.63992 hours remaining, 209.527344 MB of memory in use. ENERGY: 3029800 764.6050 2069.4687 1940.8701 115.6114 -206410.2485 17899.3942 0.0000 0.0000 34152.1845 -149468.1147 298.2595 -183620.2991 -149368.1196 298.3785 -31.8742 -0.8835 556914.4307 -4.5786 -4.5945 PRESSURE: 3030000 -88.5828 6.05565 98.1582 6.0552 -246.362 20.9782 98.1581 20.978 204.954 GPRESSURE: 3030000 -31.3999 -24.0221 11.1315 -27.8595 -231.88 60.2913 147.313 11.3593 221.556 PRESSAVG: 3030000 -38.0889 -4.39333 51.1627 -4.39335 -21.4461 47.8663 51.1628 47.8662 79.1534 GPRESSAVG: 3030000 -38.2877 -2.15873 51.9241 -3.86194 -21.5424 48.3969 50.1587 46.4834 78.9986 TIMING: 3030000 CPU: 9125.62, 0.00300362/step Wall: 9125.62, 0.00300362/step, 1.64365 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: 3030000 707.0794 2084.4281 1946.8771 118.2534 -206571.7346 17851.7799 0.0000 0.0000 34363.4242 -149499.8926 300.1043 -183863.3167 -149398.1387 298.8271 -43.3301 -13.9081 557949.2851 6.5394 6.3895 PRESSURE: 3030200 406.329 -46.7303 -111.57 -46.7307 -124.396 -8.30101 -111.568 -8.30035 188.266 GPRESSURE: 3030200 489.657 17.1 -180.454 5.3555 -94.8643 -5.0014 -66.1184 -106.015 179.179 PRESSAVG: 3030200 23.5523 -33.7409 25.0877 -33.7409 5.73267 -6.31486 25.0877 -6.31498 -27.8429 GPRESSAVG: 3030200 22.7008 -32.8706 24.2525 -32.8788 7.5319 -7.23697 26.4066 -5.85716 -28.2095 TIMING: 3030200 CPU: 9126.22, 0.00298084/step Wall: 9126.22, 0.00298084/step, 1.63102 hours remaining, 209.527344 MB of memory in use. ENERGY: 3030200 785.1685 2046.9625 1941.6209 99.9046 -206547.7676 18277.6683 0.0000 0.0000 33962.7538 -149433.6891 296.6052 -183396.4429 -149334.9705 298.2226 156.7331 191.3241 557510.3668 0.4807 0.6744 PRESSURE: 3030400 205.155 -91.5894 -44.9986 -91.5885 -39.1028 -23.8084 -45.0002 -23.8074 -412.691 GPRESSURE: 3030400 229.898 -18.587 -64.777 -158.47 -21.4603 52.5758 13.8276 -38.1349 -353.647 PRESSAVG: 3030400 69.917 3.0292 -3.92087 3.02918 -16.9344 56.8041 -3.92087 56.8041 -65.8882 GPRESSAVG: 3030400 70.6606 3.05637 -5.08975 0.723232 -17.7872 58.0652 -2.61711 57.6386 -65.5193 TIMING: 3030400 CPU: 9126.81, 0.00297417/step Wall: 9126.81, 0.00297417/step, 1.6272 hours remaining, 209.527344 MB of memory in use. ENERGY: 3030400 722.0345 2106.0675 1925.0863 123.8977 -205760.0194 17496.9117 0.0000 0.0000 33838.2374 -149547.7843 295.5177 -183386.0217 -149461.2112 298.0231 -82.2127 -48.4031 557743.1453 -4.3018 -4.2153 PRESSURE: 3030600 -261.827 -69.5622 -56.2939 -69.5633 -242.262 13.5114 -56.2946 13.5101 -35.9581 GPRESSURE: 3030600 -217.027 -132.834 -56.3177 -37.6728 -173.282 87.8386 -110.481 -14.9303 -52.7221 PRESSAVG: 3030600 -24.4798 -100.804 -52.7986 -100.804 -40.5778 20.0421 -52.7985 20.0421 -21.5742 GPRESSAVG: 3030600 -24.9334 -102.523 -51.0592 -99.051 -40.0424 20.4159 -53.4056 18.7575 -22.2199 TIMING: 3030600 CPU: 9127.4, 0.00296039/step Wall: 9127.4, 0.00296039/step, 1.6195 hours remaining, 209.527344 MB of memory in use. ENERGY: 3030600 765.3272 2064.1121 1937.6731 99.7694 -206021.5018 17493.7860 0.0000 0.0000 33973.2048 -149687.6291 296.6964 -183660.8340 -149589.9355 297.5359 -180.0154 -147.6771 556797.8958 -28.8773 -29.0652 PRESSURE: 3030800 -105.273 7.62322 10.0081 7.62248 125.434 -3.33924 10.0076 -3.33886 -124.679 GPRESSURE: 3030800 -110.795 58.3825 7.91189 -53.4077 221.316 31.6489 45.0962 -85.8921 -125.189 PRESSAVG: 3030800 -47.3868 -79.3678 -5.84266 -79.3678 14.1475 1.88786 -5.84269 1.88785 41.1201 GPRESSAVG: 3030800 -47.6399 -78.2636 -8.36199 -79.5321 13.6706 1.35397 -7.32761 2.5975 41.826 TIMING: 3030800 CPU: 9128, 0.00300462/step Wall: 9128, 0.00300462/step, 1.64353 hours remaining, 209.527344 MB of memory in use. ENERGY: 3030800 729.1727 2096.2409 1911.7626 103.9368 -206346.7202 17608.7135 0.0000 0.0000 34266.0730 -149630.8207 299.2541 -183896.8937 -149533.8942 297.2585 -34.8395 -4.8892 556514.1319 2.6269 2.6189 PRESSURE: 3031000 -251.779 32.3068 112.084 32.3069 -122.452 -66.0315 112.084 -66.0325 36.6679 GPRESSURE: 3031000 -237.959 33.8659 71.3136 15.2828 -1.56481 -85.4397 98.4813 -121.412 8.20451 PRESSAVG: 3031000 -51.3757 -21.9206 3.69742 -21.9205 41.5636 -18.7262 3.69739 -18.7263 11.7587 GPRESSAVG: 3031000 -51.1246 -22.7513 5.36384 -20.8964 43.2693 -18.5327 4.13805 -19.4617 9.59466 TIMING: 3031000 CPU: 9128.6, 0.00299784/step Wall: 9128.6, 0.00299784/step, 1.63965 hours remaining, 209.527344 MB of memory in use. ENERGY: 3031000 747.2704 2025.0806 1929.4212 119.6587 -206178.0029 17642.3985 0.0000 0.0000 34269.8947 -149444.2789 299.2875 -183714.1736 -149346.8518 298.4059 -112.5210 -77.1066 557231.3189 0.6488 0.5798 PRESSURE: 3031200 20.3347 -136.514 -34.4339 -136.514 -76.9632 -72.4223 -34.4329 -72.4218 56.3986 GPRESSURE: 3031200 36.8582 -178.98 -8.57004 -206.189 -51.8751 -3.27344 -75.5688 -61.6138 116.962 PRESSAVG: 3031200 -36.3829 7.76623 -39.6179 7.76626 -11.3956 -22.7796 -39.6179 -22.7796 -15.7639 GPRESSAVG: 3031200 -37.2645 7.93905 -42.3825 6.83865 -11.7736 -23.1384 -37.4867 -22.8788 -13.954 TIMING: 3031200 CPU: 9129.2, 0.00298132/step Wall: 9129.2, 0.00298132/step, 1.63045 hours remaining, 209.527344 MB of memory in use. ENERGY: 3031200 732.0986 2129.2304 1934.9035 117.1603 -206206.0829 17893.5500 0.0000 0.0000 34160.5495 -149238.5905 298.3326 -183399.1400 -149149.6991 298.5052 -0.0766 33.9819 558603.2064 -21.1808 -20.9974 PRESSURE: 3031400 84.4206 -58.6919 83.3367 -58.6925 184.47 83.4407 83.3361 83.4417 -81.278 GPRESSURE: 3031400 94.6634 -44.2204 128.088 53.5419 239.345 117.479 120.453 52.1922 -48.8282 PRESSAVG: 3031400 43.0296 -35.1001 17.0475 -35.1 -44.0717 7.5724 17.0475 7.57232 17.3932 GPRESSAVG: 3031400 44.247 -35.7353 19.8528 -31.8505 -45.0855 6.68802 14.646 8.49996 17.3202 TIMING: 3031400 CPU: 9129.8, 0.00298139/step Wall: 9129.8, 0.00298139/step, 1.63033 hours remaining, 209.527344 MB of memory in use. ENERGY: 3031400 779.6979 2128.6431 1972.2216 114.5853 -206474.2397 18042.6375 0.0000 0.0000 34148.4389 -149288.0155 298.2268 -183436.4544 -149191.7773 298.8973 62.5375 95.0601 557697.9365 5.4504 5.4939 PRESSURE: 3031600 38.8319 -33.5186 88.0056 -33.5182 -93.6885 43.0131 88.0042 43.0153 102.976 GPRESSURE: 3031600 87.1646 -33.4263 65.8039 19.8851 -106.563 77.2467 60.4069 73.3214 154.443 PRESSAVG: 3031600 23.3917 -3.54101 -1.70128 -3.5409 4.55631 18.3472 -1.70135 18.3472 -20.1453 GPRESSAVG: 3031600 22.4676 -2.55675 -2.00247 -6.75799 5.26584 19.1194 -2.08721 18.5735 -20.2046 TIMING: 3031600 CPU: 9130.39, 0.00297324/step Wall: 9130.39, 0.00297324/step, 1.6257 hours remaining, 209.527344 MB of memory in use. ENERGY: 3031600 780.6333 2099.6580 1916.8690 106.7867 -206504.7432 17942.6842 0.0000 0.0000 34362.9253 -149295.1868 300.1000 -183658.1121 -149195.7597 299.1122 16.0400 45.0149 556954.4736 2.6009 2.5096 PRESSURE: 3031800 -168.653 64.8053 82.3636 64.8069 53.5268 52.717 82.363 52.7178 82.6675 GPRESSURE: 3031800 -105.288 109.631 48.5769 55.1466 38.2176 28.4614 50.4994 38.4234 139.286 PRESSAVG: 3031800 30.5499 -22.3632 -20.4441 -22.3631 -6.27408 25.8969 -20.4441 25.8968 -26.1742 GPRESSAVG: 3031800 31.8828 -21.8685 -19.1147 -21.3403 -7.68245 22.6462 -19.2598 28.0163 -25.7056 TIMING: 3031800 CPU: 9130.99, 0.0029714/step Wall: 9130.99, 0.0029714/step, 1.62453 hours remaining, 209.527344 MB of memory in use. ENERGY: 3031800 749.9590 2157.4148 1949.3689 114.2080 -206029.1992 17847.0509 0.0000 0.0000 34096.4442 -149114.7533 297.7727 -183211.1975 -149010.9756 299.4214 -10.8195 24.0717 558819.7892 -0.6328 -0.5017 PRESSURE: 3032000 -168.665 198.118 -64.5156 198.118 226.709 -198.797 -64.5149 -198.796 -90.5945 GPRESSURE: 3032000 -153.368 199.515 -115.296 200.609 239.048 -259.293 -35.8758 -167.119 -18.5912 PRESSAVG: 3032000 58.3875 -4.64273 -16.4124 -4.64274 0.93406 -11.9432 -16.4124 -11.9431 -5.53496 GPRESSAVG: 3032000 57.1961 -4.05263 -18.6505 -6.41965 1.22261 -10.0526 -17.1368 -14.0215 -5.30067 TIMING: 3032000 CPU: 9131.58, 0.00295507/step Wall: 9131.58, 0.00295507/step, 1.61544 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: 3032000 761.9662 2168.3898 1936.2564 122.0577 -205855.8775 17761.8102 0.0000 0.0000 34038.1511 -149067.2458 297.2636 -183105.3970 -148965.0940 300.0214 -10.8502 22.3629 559363.0477 17.9289 17.7060 PRESSURE: 3032200 -231.418 21.1763 -183.949 21.177 -153.95 57.1277 -183.947 57.1288 14.2004 GPRESSURE: 3032200 -189.008 -12.2803 -158.061 50.193 -105.709 76.0761 -149.553 30.6381 25.7019 PRESSAVG: 3032200 2.47168 38.6517 -4.2954 38.6516 41.8649 -6.24184 -4.29542 -6.24184 -17.4386 GPRESSAVG: 3032200 4.27544 39.8301 -3.84492 38.2996 41.0421 -6.11818 -3.6063 -6.62102 -18.7147 TIMING: 3032200 CPU: 9132.17, 0.00295117/step Wall: 9132.17, 0.00295117/step, 1.61314 hours remaining, 209.527344 MB of memory in use. ENERGY: 3032200 764.1622 2149.8099 1942.2548 119.0721 -206237.7844 17737.0416 0.0000 0.0000 34282.3812 -149243.0627 299.3966 -183525.4439 -149142.1092 299.4352 -123.7225 -89.6715 558769.9357 8.9660 8.8676 LDB: ============= START OF LOAD BALANCING ============== 9135.68 LDB: ============== END OF LOAD BALANCING =============== 9135.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9135.68 LDB: ============= START OF LOAD BALANCING ============== 9135.98 LDB: Largest compute 4794 load 0.027860 is 23.6% of average load 0.118061 LDB: Average compute 0.001732 is 1.5% of average load 0.118061 LDB: TIME 9135.99 LOAD: AVG 0.118061 MAX 0.204594 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.77 MB LDB: TIME 9135.99 LOAD: AVG 0.118061 MAX 0.204594 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.973 MB LDB: TIME 9135.99 LOAD: AVG 0.118061 MAX 0.204594 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.973 MB LDB: ============== END OF LOAD BALANCING =============== 9135.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9135.99 PRESSURE: 3032400 24.502 -99.7495 -3.46853 -99.7499 64.7615 0.391049 -3.46685 0.391191 118.345 GPRESSURE: 3032400 63.0937 -114.229 -10.3071 -170.028 68.2687 6.18732 -26.1396 -19.9882 169.127 PRESSAVG: 3032400 -18.5532 5.74338 12.281 5.74334 -2.83247 12.8671 12.2809 12.8672 51.005 GPRESSAVG: 3032400 -18.9415 3.95568 10.9556 7.88142 -1.3237 14.3491 12.4866 11.7369 50.0154 TIMING: 3032400 CPU: 9132.78, 0.00304004/step Wall: 9132.78, 0.00304004/step, 1.66155 hours remaining, 210.449219 MB of memory in use. ENERGY: 3032400 748.1891 2108.1719 1926.3981 116.7248 -206242.5700 17794.3760 0.0000 0.0000 34310.2905 -149238.4198 299.6403 -183548.7102 -149140.8032 298.6362 69.2029 100.1631 557765.1974 9.8731 9.9167 PRESSURE: 3032600 -297.154 70.6305 -49.0284 70.6302 -12.1112 75.7428 -49.0273 75.7442 64.0638 GPRESSURE: 3032600 -317.845 145.119 30.9636 77.6257 31.6634 163.332 -40.6145 106.411 122.607 PRESSAVG: 3032600 -33.4607 24.837 4.02087 24.837 33.6615 -28.1515 4.02086 -28.1516 10.0972 GPRESSAVG: 3032600 -33.7865 23.7811 5.27451 24.9346 33.6505 -30.282 5.60916 -25.3893 10.4609 TIMING: 3032600 CPU: 9133.37, 0.00296345/step Wall: 9133.37, 0.00296345/step, 1.61952 hours remaining, 210.910156 MB of memory in use. ENERGY: 3032600 742.8488 2085.3856 1928.2746 125.7019 -206452.2346 17971.1716 0.0000 0.0000 34258.1114 -149340.7408 299.1846 -183598.8521 -149244.2887 298.6214 -81.7339 -54.5247 559705.9031 3.4326 3.4416 PRESSURE: 3032800 188.186 -124.611 33.2794 -124.611 92.7113 -138.269 33.2801 -138.269 -85.4787 GPRESSURE: 3032800 211.211 -25.1018 33.4332 -82.4417 155.716 -114.13 85.3067 -61.1197 -87.3888 PRESSAVG: 3032800 -7.3814 21.3297 7.8596 21.3298 -44.7196 12.0102 7.85959 12.0102 9.00025 GPRESSAVG: 3032800 -6.99287 22.3768 6.79465 20.5656 -45.1898 13.2464 6.21698 9.506 8.65274 TIMING: 3032800 CPU: 9133.96, 0.00295158/step Wall: 9133.96, 0.00295158/step, 1.61287 hours remaining, 210.910156 MB of memory in use. ENERGY: 3032800 716.4316 2077.2996 1932.5913 113.4280 -206387.4175 17969.9750 0.0000 0.0000 34231.7538 -149345.9382 298.9544 -183577.6920 -149245.7138 298.5517 65.1394 93.1791 558290.0271 -14.3669 -14.5100 PRESSURE: 3033000 -7.76758 124.853 156.289 124.854 184.85 -169.169 156.289 -169.171 -96.6484 GPRESSURE: 3033000 28.3012 109.769 178.827 141.461 174.406 -235.662 151.681 -181.899 -29.3849 PRESSAVG: 3033000 53.1709 -31.0789 61.1743 -31.079 11.9737 17.9706 61.1742 17.9704 -61.5691 GPRESSAVG: 3033000 52.7124 -32.1692 61.3799 -30.6142 11.8217 18.2534 62.7912 17.9576 -60.764 TIMING: 3033000 CPU: 9134.55, 0.00296544/step Wall: 9134.55, 0.00296544/step, 1.62028 hours remaining, 210.910156 MB of memory in use. ENERGY: 3033000 724.1323 2091.5888 1930.4670 118.2670 -206141.9722 17725.8271 0.0000 0.0000 34277.3743 -149274.3156 299.3528 -183551.6900 -149169.6817 298.3976 26.8114 57.7741 556404.4889 1.1918 1.2567 PRESSURE: 3033200 -151.633 -3.17493 -78.2845 -3.17441 -10.3791 81.5648 -78.2846 81.5652 -355.659 GPRESSURE: 3033200 -147.406 -27.4409 -141.668 -27.6358 75.8201 56.0378 -48.9477 96.7536 -332.354 PRESSAVG: 3033200 -62.8343 3.22976 8.85456 3.2298 104.615 5.92714 8.85456 5.92704 -8.36481 GPRESSAVG: 3033200 -62.2995 3.57747 9.21285 3.33249 104.814 6.62718 8.87719 3.03222 -8.63905 TIMING: 3033200 CPU: 9135.15, 0.00299444/step Wall: 9135.15, 0.00299444/step, 1.63596 hours remaining, 210.910156 MB of memory in use. ENERGY: 3033200 737.9197 2016.3684 1951.1495 114.4226 -206229.9555 17779.1919 0.0000 0.0000 34269.7588 -149361.1446 299.2863 -183630.9033 -149265.1424 298.8295 -172.5570 -134.6465 558132.6900 11.1387 11.2918 PRESSURE: 3033400 279.129 -69.8832 50.0321 -69.8825 153.688 -45.2557 50.0318 -45.2569 194.92 GPRESSURE: 3033400 318.133 -40.2835 114.129 -16.822 173.303 -122.574 -2.66 96.7505 237.037 PRESSAVG: 3033400 41.019 39.6438 11.1116 39.6439 16.2227 5.47795 11.1116 5.47788 -34.1931 GPRESSAVG: 3033400 40.7599 39.0949 11.1434 38.6193 15.791 3.77195 9.01631 9.73147 -33.7389 TIMING: 3033400 CPU: 9135.75, 0.00299101/step Wall: 9135.75, 0.00299101/step, 1.63392 hours remaining, 210.980469 MB of memory in use. ENERGY: 3033400 736.4307 2106.2571 1918.6080 105.9849 -206486.9957 18043.7693 0.0000 0.0000 34126.3523 -149449.5934 298.0339 -183575.9457 -149356.7172 298.7905 209.2457 242.8243 555691.6483 7.6829 7.6040 PRESSURE: 3033600 -315.087 -112.807 27.1275 -112.807 -215.719 159.055 27.1272 159.055 -292.634 GPRESSURE: 3033600 -351.041 -84.8535 36.7206 -74.6725 -144.733 173.505 -25.0853 99.9044 -235.434 PRESSAVG: 3033600 12.6702 17.2003 25.3614 17.2003 -26.3172 -18.536 25.3614 -18.536 -26.6832 GPRESSAVG: 3033600 13.8649 18.8595 23.932 16.9707 -26.9422 -18.7601 25.4238 -20.1015 -27.0904 TIMING: 3033600 CPU: 9136.35, 0.00299665/step Wall: 9136.35, 0.00299665/step, 1.63684 hours remaining, 210.980469 MB of memory in use. ENERGY: 3033600 735.7123 2071.8374 1950.5787 114.4024 -205855.2269 17440.7458 0.0000 0.0000 34184.7833 -149357.1670 298.5442 -183541.9503 -149260.4445 298.7531 -274.4797 -243.7357 558379.1895 -13.4434 -13.3892 PRESSURE: 3033800 -39.4987 39.9307 215.194 39.9307 -109.156 14.1072 215.193 14.1075 -254.463 GPRESSURE: 3033800 -36.3815 123.235 202.439 -21.8667 -79.2008 -52.173 179.644 5.68923 -190.126 PRESSAVG: 3033800 9.14929 -2.4956 37.5257 -2.49554 12.5438 -22.3541 37.5256 -22.3541 15.5213 GPRESSAVG: 3033800 7.56696 -4.54545 41.4523 -1.33946 13.6721 -23.5986 35.1984 -22.2579 16.563 TIMING: 3033800 CPU: 9136.95, 0.0029973/step Wall: 9136.95, 0.0029973/step, 1.63703 hours remaining, 211.078125 MB of memory in use. ENERGY: 3033800 766.2106 2100.2679 1916.9737 112.0598 -206101.6923 17664.4837 0.0000 0.0000 34179.0914 -149362.6054 298.4945 -183541.6968 -149263.3474 299.0282 -134.3723 -101.9028 556990.8572 12.4048 12.6007 PRESSURE: 3034000 88.3329 -69.0674 -38.7329 -69.0678 283.192 13.6242 -38.7338 13.6248 119.269 GPRESSURE: 3034000 95.794 -44.928 -63.6358 -51.4774 317.26 12.4405 -21.6809 67.8866 170.947 PRESSAVG: 3034000 4.11669 -34.0013 61.8704 -34.0014 24.193 -0.495998 61.8704 -0.496044 -14.7135 GPRESSAVG: 3034000 5.71361 -33.8137 57.3289 -32.8829 23.7427 1.60489 64.1981 -0.896587 -15.9635 TIMING: 3034000 CPU: 9137.54, 0.0029759/step Wall: 9137.54, 0.0029759/step, 1.62517 hours remaining, 211.078125 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: 3034000 723.9592 2077.9146 1923.6253 111.0446 -206472.8079 17949.7279 0.0000 0.0000 34384.4020 -149302.1344 300.2875 -183686.5364 -149206.8244 299.3460 163.5978 194.6671 554451.9498 4.5321 4.4976 PRESSURE: 3034200 -127.584 -209.867 166.647 -209.866 181.581 175.966 166.647 175.965 -87.8968 GPRESSURE: 3034200 -125.313 -185.074 136.86 -215.657 215.491 72.2561 279.052 173.318 -19.5974 PRESSAVG: 3034200 -59.8012 -48.3203 48.3867 -48.3202 62.8827 1.47427 48.3867 1.47417 -1.16888 GPRESSAVG: 3034200 -61.1323 -47.3521 51.1151 -49.7649 62.2369 0.162938 48.2955 1.54386 -0.160098 TIMING: 3034200 CPU: 9138.14, 0.00297099/step Wall: 9138.14, 0.00297099/step, 1.62233 hours remaining, 211.078125 MB of memory in use. ENERGY: 3034200 729.7453 2077.0132 1918.4315 113.6629 -205876.1231 17487.1200 0.0000 0.0000 34296.1650 -149253.9853 299.5169 -183550.1502 -149161.6713 299.2192 -11.3000 23.5268 555836.1731 0.6375 0.3148 PRESSURE: 3034400 -107.928 -44.9367 -14.1972 -44.9364 -260.502 -51.6422 -14.1969 -51.6418 116.059 GPRESSURE: 3034400 -91.2941 -145.795 56.4095 -45.5958 -174.898 44.4294 -5.53102 -20.7367 115.254 PRESSAVG: 3034400 -63.0147 -16.659 10.6581 -16.6591 60.5816 1.01759 10.6581 1.0176 0.685652 GPRESSAVG: 3034400 -62.9051 -18.8632 10.3553 -15.18 61.5385 2.31214 10.6548 -0.371814 -0.702213 TIMING: 3034400 CPU: 9138.73, 0.00297736/step Wall: 9138.73, 0.00297736/step, 1.62564 hours remaining, 211.078125 MB of memory in use. ENERGY: 3034400 743.6907 2070.7331 1924.5916 114.5713 -205753.8751 17481.3408 0.0000 0.0000 34210.9520 -149207.9957 298.7728 -183418.9476 -149113.1929 299.8214 -84.1236 -50.3127 557289.2613 -0.5825 -0.6896 PRESSURE: 3034600 -97.5869 -104.529 31.0642 -104.528 225.726 47.7943 31.0635 47.7935 -90.6335 GPRESSURE: 3034600 -62.5927 -81.349 127.489 -90.7436 295.102 148.361 -47.9342 45.7612 -96.6089 PRESSAVG: 3034600 -51.4172 -20.5292 -38.7623 -20.5291 8.54179 84.9944 -38.7623 84.9944 29.3834 GPRESSAVG: 3034600 -50.9291 -18.935 -37.7924 -20.2842 7.97065 83.1707 -38.2155 87.3259 29.6967 TIMING: 3034600 CPU: 9139.33, 0.00297807/step Wall: 9139.33, 0.00297807/step, 1.62586 hours remaining, 211.078125 MB of memory in use. ENERGY: 3034600 793.3736 2104.3468 1950.1783 117.9474 -206592.5000 17909.0015 0.0000 0.0000 34315.5709 -149402.0815 299.6864 -183717.6524 -149295.1010 299.2423 12.5018 45.3001 555988.4789 -4.4973 -4.4206 PRESSURE: 3034800 -16.4616 -168.036 56.7965 -168.036 98.0128 111.36 56.7965 111.359 129.063 GPRESSURE: 3034800 0.882171 -161.134 32.1195 -127.091 113.068 110.759 93.0328 131.668 199.392 PRESSAVG: 3034800 -37.7153 -25.485 43.8758 -25.485 9.50536 10.4457 43.8758 10.4457 -5.64099 GPRESSAVG: 3034800 -38.0421 -25.4677 44.1607 -28.0106 10.163 12.2932 42.148 8.85209 -5.46208 TIMING: 3034800 CPU: 9139.92, 0.00297267/step Wall: 9139.92, 0.00297267/step, 1.62275 hours remaining, 211.078125 MB of memory in use. ENERGY: 3034800 728.9652 2080.1978 1932.1773 108.8666 -206118.1042 17717.1721 0.0000 0.0000 34165.5317 -149385.1935 298.3761 -183550.7252 -149288.2226 299.5476 70.2047 104.4473 556182.8580 -11.2837 -11.1137 PRESSURE: 3035000 -382.238 152.999 6.67171 152.999 -184.847 1.20913 6.67016 1.2087 -8.06998 GPRESSURE: 3035000 -315.463 303.642 132.382 181.637 -138.61 80.8443 -19.3756 -31.7016 -31.5758 PRESSAVG: 3035000 9.5735 2.59753 19.8224 2.59758 -36.5657 31.3238 19.8224 31.3237 3.29292 GPRESSAVG: 3035000 11.3249 1.8616 19.5615 3.47826 -37.7044 31.229 21.4081 31.4457 2.40474 TIMING: 3035000 CPU: 9140.52, 0.00301292/step Wall: 9140.52, 0.00301292/step, 1.64455 hours remaining, 211.078125 MB of memory in use. ENERGY: 3035000 794.1651 2138.7446 1943.1447 127.8924 -206031.1378 17605.6215 0.0000 0.0000 34218.0114 -149203.5581 298.8344 -183421.5695 -149114.2902 299.4316 -191.7184 -161.8831 556005.3348 -7.8998 -7.9916 PRESSURE: 3035200 -102.113 41.9206 40.95 41.9214 75.2838 -6.64679 40.9509 -6.64681 17.6247 GPRESSURE: 3035200 -65.4803 82.7898 107.685 -48.1362 68.2271 45.3331 -35.6743 -65.8372 101.383 PRESSAVG: 3035200 -23.5861 -19.5886 46.0582 -19.5887 80.4213 67.9795 46.0582 67.9796 -64.9952 GPRESSAVG: 3035200 -24.5965 -19.3511 46.9343 -18.0268 80.9051 69.4912 45.6003 66.3591 -64.1925 TIMING: 3035200 CPU: 9141.12, 0.00299717/step Wall: 9141.12, 0.00299717/step, 1.63579 hours remaining, 211.078125 MB of memory in use. ENERGY: 3035200 748.2842 2118.8037 1926.9513 124.0924 -206308.2713 17706.6204 0.0000 0.0000 34323.6455 -149359.8738 299.7569 -183683.5193 -149265.9254 299.4713 -3.0681 34.7099 555933.7685 -2.7200 -2.6280 PRESSURE: 3035400 139.582 -48.4559 -244.153 -48.4561 -107.063 -94.966 -244.152 -94.9642 -27.3258 GPRESSURE: 3035400 233.306 -80.7263 -159.648 -42.9516 -152.358 -107.828 -258.333 -107.413 24.6116 PRESSAVG: 3035400 28.0447 27.7989 -58.4613 27.7988 -41.5093 6.50935 -58.4614 6.50939 50.6422 GPRESSAVG: 3035400 28.3196 26.2568 -60.266 27.7936 -41.315 4.38398 -56.7635 9.02062 49.7427 TIMING: 3035400 CPU: 9141.72, 0.00299004/step Wall: 9141.72, 0.00299004/step, 1.63173 hours remaining, 211.078125 MB of memory in use. ENERGY: 3035400 766.0553 2077.1132 1932.0356 126.8130 -206625.9479 17893.2969 0.0000 0.0000 34414.3149 -149416.3190 300.5488 -183830.6339 -149315.2471 299.3452 1.7313 35.1864 555371.4334 12.3925 12.2491 PRESSURE: 3035600 12.2631 67.7353 47.8172 67.7365 -47.5568 -105.769 47.8179 -105.769 -94.2766 GPRESSURE: 3035600 14.8978 25.9996 28.0093 60.9946 53.3271 -123.156 8.74139 -144.59 -101.696 PRESSAVG: 3035600 23.8625 10.8333 -20.9533 10.8333 -21.563 -2.69813 -20.9533 -2.69815 -9.49199 GPRESSAVG: 3035600 23.7427 11.2631 -20.0026 9.35486 -21.7121 -1.25372 -24.2184 -5.34556 -9.30958 TIMING: 3035600 CPU: 9142.32, 0.00297291/step Wall: 9142.32, 0.00297291/step, 1.62222 hours remaining, 211.078125 MB of memory in use. ENERGY: 3035600 787.5150 2089.2694 1958.0940 115.0141 -206349.4733 17828.3274 0.0000 0.0000 34106.2455 -149465.0079 297.8583 -183571.2534 -149373.6624 298.4786 -43.1901 -11.1571 555331.9330 -2.3975 -2.4263 PRESSURE: 3035800 -136.439 -34.17 -111.682 -34.1692 -196.895 9.5281 -111.682 9.52974 -103.289 GPRESSURE: 3035800 -125.754 -33.827 -99.1928 20.1896 -165.687 -0.125399 -92.7138 71.2082 -41.5095 PRESSAVG: 3035800 -12.1725 7.1753 24.9136 7.17542 -49.2405 -5.73135 24.9137 -5.7312 44.9096 GPRESSAVG: 3035800 -12.6995 7.43353 26.4384 7.19888 -49.1032 -6.49225 25.4246 -4.14817 45.1429 TIMING: 3035800 CPU: 9142.91, 0.00296216/step Wall: 9142.91, 0.00296216/step, 1.61618 hours remaining, 211.078125 MB of memory in use. ENERGY: 3035800 730.1656 2108.9881 1955.2400 108.3885 -206332.6815 17758.3095 0.0000 0.0000 34269.8297 -149401.7601 299.2869 -183671.5898 -149300.4876 298.7780 -145.5409 -110.9834 557362.0587 -5.5011 -5.5533 PRESSURE: 3036000 -439.068 -12.5392 104.043 -12.539 -230.503 -81.9165 104.044 -81.9175 21.624 GPRESSURE: 3036000 -384.362 54.5174 48.3016 -78.1691 -254.943 -117.474 92.9584 -54.1899 80.8171 PRESSAVG: 3036000 -36.8411 53.449 1.2716 53.449 -127.933 -26.1671 1.27163 -26.1672 135.261 GPRESSAVG: 3036000 -36.3952 56.5434 -0.127121 52.0437 -130.347 -26.8786 1.00559 -26.309 137.297 TIMING: 3036000 CPU: 9143.51, 0.00298197/step Wall: 9143.51, 0.00298197/step, 1.62683 hours remaining, 211.078125 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: 3036000 779.3348 2089.9419 1963.8128 107.9729 -206142.4008 17596.2695 0.0000 0.0000 34285.2050 -149319.8638 299.4212 -183605.0688 -149225.6617 298.9375 -215.9822 -186.1626 557067.3939 -9.8378 -9.8150 PRESSURE: 3036200 310.774 -119.072 -87.4309 -119.073 -230.147 147.394 -87.4298 147.395 5.37109 GPRESSURE: 3036200 375.866 -117.184 -70.579 -157.289 -206.429 107.057 -157.476 136.886 8.56789 PRESSAVG: 3036200 1.00036 -18.3606 -35.6801 -18.3605 -65.39 17.3625 -35.6799 17.3626 48.4044 GPRESSAVG: 3036200 2.0975 -21.2162 -34.6649 -16.3877 -63.5071 18.0741 -35.2474 16.4266 46.2338 TIMING: 3036200 CPU: 9144.11, 0.00301551/step Wall: 9144.11, 0.00301551/step, 1.64496 hours remaining, 211.078125 MB of memory in use. ENERGY: 3036200 723.4450 2134.8407 1940.2673 111.8797 -206438.4233 17866.9055 0.0000 0.0000 34403.0222 -149258.0627 300.4501 -183661.0850 -149166.0715 299.1805 28.6662 59.3352 557284.7252 -5.3284 -5.0586 LDB: ============= START OF LOAD BALANCING ============== 9147.63 LDB: ============== END OF LOAD BALANCING =============== 9147.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9147.63 LDB: ============= START OF LOAD BALANCING ============== 9147.93 LDB: Largest compute 4774 load 0.026716 is 22.6% of average load 0.118133 LDB: Average compute 0.001733 is 1.5% of average load 0.118133 LDB: TIME 9147.93 LOAD: AVG 0.118133 MAX 0.209346 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 9147.93 LOAD: AVG 0.118133 MAX 0.209346 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.402 MB LDB: TIME 9147.93 LOAD: AVG 0.118133 MAX 0.209346 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.402 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9147.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9147.94 PRESSURE: 3036400 183.976 31.8067 -64.4578 31.8064 166.605 159.781 -64.4578 159.782 221.513 GPRESSURE: 3036400 216.953 4.33588 -97.1015 23.3011 183.362 250.745 42.679 156.616 263.404 PRESSAVG: 3036400 28.9285 -1.65202 41.6766 -1.65212 -45.6224 1.05265 41.6767 1.05257 61.1484 GPRESSAVG: 3036400 28.7806 -0.354716 40.2893 -3.0673 -45.199 2.39835 42.6045 1.87783 61.3797 TIMING: 3036400 CPU: 9144.72, 0.0030638/step Wall: 9144.72, 0.0030638/step, 1.67113 hours remaining, 209.769531 MB of memory in use. ENERGY: 3036400 740.1516 2133.2212 1946.2004 105.9126 -206756.6031 18292.3884 0.0000 0.0000 34235.3374 -149303.3915 298.9857 -183538.7289 -149201.6573 299.1802 190.6979 221.2395 556362.8568 14.8182 14.9871 PRESSURE: 3036600 -42.1917 31.6878 89.1711 31.6876 -36.0367 151.5 89.1707 151.5 39.741 GPRESSURE: 3036600 -6.09516 -61.953 24.0212 90.2542 -22.0667 202.731 42.8559 196.379 84.6105 PRESSAVG: 3036600 -23.6112 54.7119 -48.8052 54.7119 -15.8879 -9.78412 -48.8051 -9.78418 4.92376 GPRESSAVG: 3036600 -24.4036 54.7575 -46.9633 55.1644 -15.6235 -11.5963 -51.2095 -9.18084 5.41459 TIMING: 3036600 CPU: 9145.32, 0.00299088/step Wall: 9145.32, 0.00299088/step, 1.63119 hours remaining, 210.097656 MB of memory in use. ENERGY: 3036600 738.7406 2108.1568 1955.5302 102.3599 -206382.0068 17859.9500 0.0000 0.0000 34185.2200 -149432.0493 298.5480 -183617.2693 -149329.6543 298.6451 -12.8291 18.8162 558835.0642 -11.5251 -11.5375 PRESSURE: 3036800 -111.923 58.8598 -36.3444 58.8595 -208.955 65.4865 -36.3463 65.4879 -38.1972 GPRESSURE: 3036800 -71.2304 128.777 -21.5158 42.725 -152.335 99.9853 -45.4071 17.4802 -36.4313 PRESSAVG: 3036800 -46.2773 52.6016 -10.0344 52.6016 -30.5888 5.02271 -10.0344 5.0226 33.4845 GPRESSAVG: 3036800 -44.6932 52.6147 -11.215 53.2334 -30.9913 4.13227 -9.66413 5.44604 32.056 TIMING: 3036800 CPU: 9145.92, 0.0029876/step Wall: 9145.92, 0.0029876/step, 1.62924 hours remaining, 210.097656 MB of memory in use. ENERGY: 3036800 750.3628 2119.4735 1929.0635 113.9029 -206441.6916 17662.8713 0.0000 0.0000 34195.4127 -149670.6048 298.6370 -183866.0175 -149575.9790 298.2172 -119.6919 -86.6657 557563.9824 -14.4606 -14.5428 PRESSURE: 3037000 -66.1159 -16.1078 40.6753 -16.1071 28.482 -87.056 40.6759 -87.0553 261.591 GPRESSURE: 3037000 -89.6885 -16.3034 -49.057 -26.1852 83.0066 -47.635 -77.729 -95.6193 326.19 PRESSAVG: 3037000 -57.3413 -8.02618 -56.1713 -8.02614 -13.4739 -10.4682 -56.1713 -10.468 46.022 GPRESSAVG: 3037000 -58.0025 -8.69279 -56.9676 -9.60904 -13.7312 -10.2507 -55.5741 -11.2624 46.9127 TIMING: 3037000 CPU: 9146.51, 0.00298561/step Wall: 9146.51, 0.00298561/step, 1.62799 hours remaining, 210.097656 MB of memory in use. ENERGY: 3037000 760.2049 2081.5716 1943.7324 108.7371 -206871.9209 18122.8603 0.0000 0.0000 34156.9527 -149697.8618 298.3012 -183854.8145 -149600.8849 298.1283 74.6524 106.5026 556866.7955 -8.2644 -8.2737 PRESSURE: 3037200 -377.758 3.51797 -114.682 3.51649 -158.522 -31.515 -114.682 -31.5176 -290.209 GPRESSURE: 3037200 -364.55 -5.81407 -112.86 105.411 -70.1602 38.002 -126.357 28.4346 -301.451 PRESSAVG: 3037200 -73.8034 15.2688 -35.4728 15.269 33.846 -58.1557 -35.4729 -58.1557 31.7397 GPRESSAVG: 3037200 -74.0223 14.673 -36.7238 16.6743 34.96 -58.0144 -32.8622 -59.1227 30.6328 TIMING: 3037200 CPU: 9147.11, 0.00297418/step Wall: 9147.11, 0.00297418/step, 1.62159 hours remaining, 210.097656 MB of memory in use. ENERGY: 3037200 758.0997 2117.2042 1935.3695 116.3398 -206174.2060 17610.5535 0.0000 0.0000 34064.6594 -149571.9800 297.4951 -183636.6394 -149480.2755 298.1210 -275.4965 -245.3872 559870.8590 -2.7392 -2.8098 PRESSURE: 3037400 -87.0873 56.7739 -24.6318 56.7742 -173.52 80.2311 -24.6331 80.2302 10.8998 GPRESSURE: 3037400 -31.6786 59.794 -11.1336 118.661 -165.183 3.47505 -20.8669 103.704 33.2875 PRESSAVG: 3037400 -34.0469 25.9099 -29.0975 25.9099 19.6946 -19.5668 -29.0975 -19.5667 19.4045 GPRESSAVG: 3037400 -34.5036 25.7989 -27.4047 25.6744 18.0525 -19.2775 -29.7772 -20.2648 21.5192 TIMING: 3037400 CPU: 9147.71, 0.00298604/step Wall: 9147.71, 0.00298604/step, 1.62789 hours remaining, 210.097656 MB of memory in use. ENERGY: 3037400 692.9741 2129.0924 1936.0206 119.4483 -206593.7475 17786.6812 0.0000 0.0000 34174.8806 -149754.6502 298.4577 -183929.5309 -149653.6826 297.6109 -83.2359 -54.5248 556532.1412 1.6841 1.6894 PRESSURE: 3037600 189.326 141.639 14.5719 141.64 149.967 38.0075 14.5718 38.0092 151.087 GPRESSURE: 3037600 236.853 147.318 -10.8252 126.459 165.462 58.3665 -43.133 116.619 184.281 PRESSAVG: 3037600 10.1598 -12.9498 -26.8727 -12.9497 -2.61582 55.3262 -26.8728 55.3261 -3.47036 GPRESSAVG: 3037600 9.75744 -14.5169 -27.6704 -11.2881 -1.23834 55.1165 -27.6417 56.4358 -4.43817 TIMING: 3037600 CPU: 9148.3, 0.00297336/step Wall: 9148.3, 0.00297336/step, 1.62081 hours remaining, 210.097656 MB of memory in use. ENERGY: 3037600 768.7470 2112.0282 1974.7277 122.1603 -206997.2117 18331.7945 0.0000 0.0000 34083.4492 -149604.3048 297.6592 -183687.7541 -149522.8699 297.8542 163.4600 195.5319 557328.0906 1.3579 1.3603 PRESSURE: 3037800 86.4394 88.875 15.0977 88.8744 176.96 130.722 15.0979 130.72 238.911 GPRESSURE: 3037800 115.31 41.8119 -4.03812 128.331 257.358 87.9544 79.3239 240.133 240.818 PRESSAVG: 3037800 -18.507 25.0645 -25.3123 25.0646 10.0179 13.6745 -25.3122 13.6747 -15.9267 GPRESSAVG: 3037800 -17.9987 27.9052 -26.2932 23.1422 11.6996 14.3198 -23.5629 15.8382 -17.6278 TIMING: 3037800 CPU: 9148.9, 0.00301028/step Wall: 9148.9, 0.00301028/step, 1.64077 hours remaining, 210.097656 MB of memory in use. ENERGY: 3037800 734.6428 2086.6447 1951.1236 129.9653 -207065.8967 18217.3783 0.0000 0.0000 34367.1774 -149578.9645 300.1371 -183946.1420 -149483.6397 298.5337 167.4366 204.4953 556255.6336 -8.1386 -7.9756 PRESSURE: 3038000 25.0892 -139.908 120.525 -139.909 253.532 39.1186 120.524 39.1188 125.681 GPRESSURE: 3038000 68.9705 -89.3383 99.4115 -165.174 236.671 42.0655 220.269 76.43 183.318 PRESSAVG: 3038000 24.0415 2.63306 46.3951 2.63301 -10.2393 20.1205 46.3951 20.1206 -0.0637352 GPRESSAVG: 3038000 24.4039 0.205228 48.6529 3.10984 -11.7062 19.4453 42.2976 18.0545 1.43016 TIMING: 3038000 CPU: 9149.51, 0.00301252/step Wall: 9149.51, 0.00301252/step, 1.64182 hours remaining, 210.097656 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: 3038000 771.7992 2105.6790 1930.3378 110.7503 -206582.2006 18064.8916 0.0000 0.0000 34220.8087 -149377.9340 298.8588 -183598.7426 -149273.9282 298.6805 134.7676 162.9868 557188.2679 4.5795 4.7093 PRESSURE: 3038200 -1.91859 8.71489 84.6439 8.7145 -135.289 122.19 84.6464 122.189 -242.946 GPRESSURE: 3038200 84.4891 -13.8418 116.854 45.9356 -168.468 100.379 75.9086 137.964 -180.995 PRESSAVG: 3038200 -41.5404 38.6316 10.2332 38.6317 5.27475 57.0182 10.2333 57.0182 15.2373 GPRESSAVG: 3038200 -40.933 38.1056 7.1756 40.4304 4.8005 55.7445 13.3357 57.7746 14.3877 TIMING: 3038200 CPU: 9150.11, 0.0030313/step Wall: 9150.11, 0.0030313/step, 1.65189 hours remaining, 210.097656 MB of memory in use. ENERGY: 3038200 779.4707 2051.8220 1951.9413 112.8473 -206054.6619 17700.0996 0.0000 0.0000 34097.8130 -149360.6681 297.7847 -183458.4811 -149268.5633 298.8264 -126.7179 -88.3247 556545.0507 -7.0094 -7.2483 PRESSURE: 3038400 -210.817 66.514 -51.9188 66.5131 -68.109 133.716 -51.9195 133.716 -70.8102 GPRESSURE: 3038400 -160.45 120.684 -60.485 20.2391 -20.7632 145.963 -93.243 213.398 -70.0898 PRESSAVG: 3038400 -32.7974 36.4698 -0.338266 36.4698 46.6855 25.8772 -0.338165 25.8772 -15.0848 GPRESSAVG: 3038400 -33.7866 38.8374 2.03633 34.4039 46.3888 27.2154 -0.731451 23.9179 -13.2984 TIMING: 3038400 CPU: 9150.71, 0.00301558/step Wall: 9150.71, 0.00301558/step, 1.64316 hours remaining, 210.156250 MB of memory in use. ENERGY: 3038400 765.5528 2084.6245 1932.7018 100.2611 -206186.8632 17632.4322 0.0000 0.0000 34192.2889 -149479.0020 298.6098 -183671.2909 -149377.3944 299.1088 -116.5788 -83.7677 556219.7164 -0.3989 -0.2321 PRESSURE: 3038600 -49.1996 21.0293 110.37 21.0303 25.6454 108.459 110.37 108.458 182.775 GPRESSURE: 3038600 -1.40877 53.4169 113.687 17.6302 58.3375 188.709 84.48 73.9398 197.542 PRESSAVG: 3038600 -21.9832 20.357 38.0507 20.3569 -6.68592 76.6219 38.0506 76.622 57.9924 GPRESSAVG: 3038600 -21.3074 20.6148 38.6255 19.9515 -5.3067 76.9146 37.996 79.2727 55.6718 TIMING: 3038600 CPU: 9151.32, 0.00300586/step Wall: 9151.32, 0.00300586/step, 1.63769 hours remaining, 210.167969 MB of memory in use. ENERGY: 3038600 730.8395 2059.0462 1941.6588 108.7729 -206254.8737 17986.8590 0.0000 0.0000 33955.1313 -149472.5659 296.5386 -183427.6972 -149370.0791 298.8275 53.0737 84.8237 558651.3490 9.7744 9.6859 PRESSURE: 3038800 136.957 18.4539 91.2779 18.4545 -197.768 -69.8877 91.2787 -69.8871 -29.3919 GPRESSURE: 3038800 132.604 -71.2983 15.5062 81.2106 -148.519 -85.3208 43.4349 -78.3491 21.573 PRESSAVG: 3038800 40.2902 -19.9187 58.6561 -19.9186 -73.6244 34.1559 58.6562 34.1558 25.166 GPRESSAVG: 3038800 39.9496 -20.2882 58.1851 -20.6185 -74.1736 33.4923 56.0844 33.738 26.0123 TIMING: 3038800 CPU: 9151.92, 0.00300406/step Wall: 9151.92, 0.00300406/step, 1.63655 hours remaining, 210.167969 MB of memory in use. ENERGY: 3038800 750.0389 2104.7751 1960.6653 103.4575 -206076.8057 17632.0604 0.0000 0.0000 33989.7182 -149536.0903 296.8407 -183525.8085 -149444.3702 298.4000 -30.0677 1.8863 557188.7509 -2.7227 -2.7372 PRESSURE: 3039000 -107.053 95.8859 -189.27 95.8874 -31.3098 -27.803 -189.27 -27.804 82.1503 GPRESSURE: 3039000 -67.642 97.1552 -80.9251 96.3697 31.891 -29.5798 -233.846 -76.8604 69.0245 PRESSAVG: 3039000 -39.0331 40.7101 -38.878 40.7101 10.3766 60.3424 -38.8779 60.3424 54.389 GPRESSAVG: 3039000 -38.972 39.652 -39.7507 42.5978 9.81593 59.578 -37.9062 61.1788 54.9146 TIMING: 3039000 CPU: 9152.52, 0.00302867/step Wall: 9152.52, 0.00302867/step, 1.64978 hours remaining, 210.167969 MB of memory in use. ENERGY: 3039000 740.1377 2018.7609 1947.3478 101.2284 -206237.1647 17891.9518 0.0000 0.0000 34069.1890 -149468.5491 297.5347 -183537.7381 -149377.9844 298.6885 -18.7374 11.0912 557807.6770 8.5775 8.5862 PRESSURE: 3039200 57.3726 52.9503 -129.925 52.9501 -294.75 -28.4729 -129.924 -28.4729 -14.8836 GPRESSURE: 3039200 100.614 41.3346 -194.522 67.8116 -275.259 -34.4709 -232.586 -20.893 11.2353 PRESSAVG: 3039200 -17.2888 -8.83397 -15.9513 -8.83396 -2.71692 88.8539 -15.9513 88.854 15.815 GPRESSAVG: 3039200 -18.2755 -8.46556 -17.246 -10.1086 -2.25306 90.7794 -15.0972 86.199 16.1887 TIMING: 3039200 CPU: 9153.12, 0.00299772/step Wall: 9153.12, 0.00299772/step, 1.63276 hours remaining, 210.167969 MB of memory in use. ENERGY: 3039200 756.7569 2105.1227 1922.2942 111.5634 -205949.9972 17549.1812 0.0000 0.0000 34070.9916 -149434.0872 297.5504 -183505.0788 -149335.0887 298.6187 -84.0870 -54.4697 557088.2277 -1.3969 -1.4466 PRESSURE: 3039400 299.709 9.56635 -7.1814 9.56552 -100.966 -87.1182 -7.18016 -87.1181 -162.894 GPRESSURE: 3039400 303.612 -1.64716 6.44277 64.0591 -65.4853 -30.9112 90.1555 -74.078 -100.946 PRESSAVG: 3039400 21.0406 -46.2843 19.7725 -46.2843 -10.5821 46.5983 19.7725 46.5983 -17.5107 GPRESSAVG: 3039400 22.1836 -46.7722 19.0061 -46.5481 -12.2443 46.976 20.707 46.5075 -16.5236 TIMING: 3039400 CPU: 9153.72, 0.00299248/step Wall: 9153.72, 0.00299248/step, 1.62974 hours remaining, 210.167969 MB of memory in use. ENERGY: 3039400 725.0060 2044.8952 1934.4127 116.5655 -206254.9388 17894.8928 0.0000 0.0000 34097.4801 -149441.6864 297.7818 -183539.1665 -149349.3916 298.3493 11.9496 45.7269 557227.8201 -2.3507 -2.1948 PRESSURE: 3039600 159.399 98.0516 7.988 98.051 64.9547 32.9791 7.98754 32.9788 -60.1015 GPRESSURE: 3039600 164.379 -38.3694 -22.461 186.462 157.888 94.4377 -33.4356 4.32659 -58.1945 PRESSAVG: 3039600 34.7327 5.72834 -9.68775 5.72833 55.6059 21.5001 -9.68785 21.5002 -56.0392 GPRESSAVG: 3039600 35.1994 6.73049 -8.46228 5.31861 56.3577 22.2952 -9.97195 22.1786 -57.5263 TIMING: 3039600 CPU: 9154.32, 0.00301295/step Wall: 9154.32, 0.00301295/step, 1.64072 hours remaining, 210.167969 MB of memory in use. ENERGY: 3039600 723.2823 2050.0079 1938.1501 113.1372 -206255.8147 17862.9659 0.0000 0.0000 34277.7394 -149290.5319 299.3560 -183568.2713 -149191.5905 299.1315 54.7506 88.0242 557224.2105 11.4331 11.3436 PRESSURE: 3039800 15.7331 -54.1464 83.7321 -54.1454 -138.457 -6.88385 83.7311 -6.88529 220.316 GPRESSURE: 3039800 107.06 -96.4705 214.025 27.2262 -69.2409 50.0265 -20.9346 -57.4068 157.049 PRESSAVG: 3039800 8.4471 6.12246 33.1193 6.12235 -62.7646 69.8129 33.1194 69.8128 65.8483 GPRESSAVG: 3039800 6.9354 5.35419 33.5532 8.01364 -62.8083 67.7669 32.2257 69.9683 67.9699 TIMING: 3039800 CPU: 9154.92, 0.0029977/step Wall: 9154.92, 0.0029977/step, 1.63225 hours remaining, 210.167969 MB of memory in use. ENERGY: 3039800 725.8661 2039.8316 1948.4063 114.7311 -206185.8100 17819.4475 0.0000 0.0000 34279.0920 -149258.4354 299.3678 -183537.5274 -149163.5595 299.6825 32.5308 64.9560 557569.0375 3.8436 4.0323 PRESSURE: 3040000 90.5734 45.7067 -61.6952 45.708 -304.108 -95.1048 -61.695 -95.1043 -3.55671 GPRESSURE: 3040000 159.833 -50.3057 -76.2135 28.335 -254.711 -128.474 -43.9014 -88.7171 -19.6157 PRESSAVG: 3040000 -7.55967 -9.77504 -4.97345 -9.77504 -98.1429 5.23596 -4.97355 5.23614 91.6876 GPRESSAVG: 3040000 -6.76954 -8.84738 -6.32889 -12.1195 -98.0789 5.34973 -2.12094 5.86775 90.5542 TIMING: 3040000 CPU: 9155.52, 0.00299438/step Wall: 9155.52, 0.00299438/step, 1.63027 hours remaining, 210.167969 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: 3040000 765.3890 2088.5140 1928.1852 100.4110 -206472.8200 17855.9389 0.0000 0.0000 34385.4767 -149348.9052 300.2969 -183734.3819 -149257.8739 299.1063 -72.3636 -38.1646 557564.9396 -4.6717 -4.7648 PRESSURE: 3040200 164.776 55.9288 18.7542 55.9293 -97.4745 22.0256 18.7527 22.025 -105.04 GPRESSURE: 3040200 128.343 84.4294 36.0485 4.38806 -3.64065 -77.6668 38.0554 57.403 -70.6308 PRESSAVG: 3040200 33.2533 29.6082 -20.1219 29.6082 -27.9527 52.7763 -20.1219 52.7762 18.4351 GPRESSAVG: 3040200 31.8133 31.0075 -19.5359 29.8024 -27.8663 52.5477 -22.5579 52.2651 20.257 TIMING: 3040200 CPU: 9156.12, 0.00297698/step Wall: 9156.12, 0.00297698/step, 1.62063 hours remaining, 210.167969 MB of memory in use. ENERGY: 3040200 754.8824 2154.6150 1934.0234 109.4804 -206512.4552 17938.0167 0.0000 0.0000 34223.1619 -149398.2755 298.8794 -183621.4374 -149301.6367 299.1088 -12.5796 18.0240 557756.8799 7.9119 8.0680 LDB: ============= START OF LOAD BALANCING ============== 9159.63 LDB: ============== END OF LOAD BALANCING =============== 9159.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9159.64 LDB: ============= START OF LOAD BALANCING ============== 9159.93 LDB: Largest compute 4774 load 0.027080 is 22.9% of average load 0.118055 LDB: Average compute 0.001734 is 1.5% of average load 0.118055 LDB: TIME 9159.94 LOAD: AVG 0.118055 MAX 0.207015 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.645 MB LDB: TIME 9159.94 LOAD: AVG 0.118055 MAX 0.207015 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.648 MB LDB: TIME 9159.94 LOAD: AVG 0.118055 MAX 0.207015 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.648 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9159.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9159.94 PRESSURE: 3040400 133.831 -76.6036 61.3222 -76.6039 9.71297 3.56972 61.321 3.5693 -157.746 GPRESSURE: 3040400 177.737 -78.3874 87.2995 -71.3767 22.019 -5.31481 -38.6437 -15.0371 -121.369 PRESSAVG: 3040400 66.8794 42.4343 -3.865 42.4342 -83.3912 30.5309 -3.8651 30.5309 -5.64534 GPRESSAVG: 3040400 67.2619 39.8299 -1.17245 42.9604 -83.1461 29.892 -3.03407 31.4007 -6.65508 TIMING: 3040400 CPU: 9156.73, 0.00304466/step Wall: 9156.73, 0.00304466/step, 1.65731 hours remaining, 207.917969 MB of memory in use. ENERGY: 3040400 746.0974 2099.3186 1951.1888 120.3498 -206530.0558 17929.8276 0.0000 0.0000 34204.7303 -149478.5433 298.7184 -183683.2736 -149381.4305 298.9327 -4.7342 26.1291 557575.1548 -7.3857 -7.5131 PRESSURE: 3040600 38.3284 30.3371 -178.538 30.3377 -130.662 -39.8707 -178.539 -39.8709 -60.7043 GPRESSURE: 3040600 15.6535 -7.80338 -170.869 59.7365 -75.1539 -21.749 -156.353 0.378145 15.0375 PRESSAVG: 3040600 83.7389 36.4107 -52.3276 36.4106 -62.4185 29.1999 -52.3276 29.2 16.0861 GPRESSAVG: 3040600 84.3402 36.9244 -55.2242 38.1964 -62.6586 29.2349 -52.5878 29.449 15.4672 TIMING: 3040600 CPU: 9157.32, 0.00297382/step Wall: 9157.32, 0.00297382/step, 1.61859 hours remaining, 207.917969 MB of memory in use. ENERGY: 3040600 732.4757 2014.4534 1958.5932 111.7923 -206484.6591 17928.2966 0.0000 0.0000 34162.6986 -149576.3492 298.3513 -183739.0478 -149483.3717 299.0039 -51.0127 -14.8210 556377.1095 12.4688 12.3829 PRESSURE: 3040800 233.803 -100.526 -15.006 -100.527 260.709 -160.813 -15.004 -160.813 87.7103 GPRESSURE: 3040800 254.847 -188.631 -12.8948 -69.7315 268.548 -147.976 37.653 -212.951 151.322 PRESSAVG: 3040800 18.6315 35.4881 -53.8056 35.4881 44.2939 -40.584 -53.8057 -40.5839 16.8383 GPRESSAVG: 3040800 17.0107 34.9265 -52.8765 34.2013 44.4877 -41.1535 -54.0685 -39.8643 18.5577 TIMING: 3040800 CPU: 9157.93, 0.00302346/step Wall: 9157.93, 0.00302346/step, 1.64543 hours remaining, 207.917969 MB of memory in use. ENERGY: 3040800 755.8021 2051.6194 1926.7623 112.6868 -206770.6101 18197.0008 0.0000 0.0000 34058.4703 -149668.2684 297.4411 -183726.7387 -149576.3557 298.7308 194.0742 224.9055 558051.0400 26.5879 26.6854 PRESSURE: 3041000 -26.048 -47.216 155.829 -47.2151 -126.468 -110.916 155.828 -110.916 -129.022 GPRESSURE: 3041000 -19.5797 -10.172 169.501 -111.465 -101.079 -11.1249 126.706 -147.113 -66.7482 PRESSAVG: 3041000 51.6026 -30.6359 -16.588 -30.636 38.7174 41.0399 -16.5881 41.0401 -51.3171 GPRESSAVG: 3041000 52.2739 -28.4604 -14.9646 -33.0737 38.6365 41.5373 -17.0848 39.6969 -51.89 TIMING: 3041000 CPU: 9158.53, 0.00301512/step Wall: 9158.53, 0.00301512/step, 1.64073 hours remaining, 207.917969 MB of memory in use. ENERGY: 3041000 730.1966 2087.1796 1950.8138 100.0577 -206398.3443 17702.4780 0.0000 0.0000 34111.3397 -149716.2790 297.9028 -183827.6187 -149615.3074 298.3960 -93.8460 -62.4691 557408.5979 13.0010 13.0068 PRESSURE: 3041200 100.239 5.50505 109.963 5.50563 149.154 -112.586 109.962 -112.587 274.489 GPRESSURE: 3041200 156.165 -2.76568 71.5248 0.85851 172.764 -93.624 68.5912 -119.719 277.097 PRESSAVG: 3041200 -11.0649 25.0557 -8.05932 25.0557 34.8124 0.952954 -8.05938 0.952997 9.0309 GPRESSAVG: 3041200 -9.54659 24.2732 -9.68576 28.8945 34.8058 2.45638 -8.24036 1.94466 7.7966 TIMING: 3041200 CPU: 9159.12, 0.00297169/step Wall: 9159.12, 0.00297169/step, 1.61693 hours remaining, 207.917969 MB of memory in use. ENERGY: 3041200 715.1099 2029.4374 1941.5031 112.2649 -207244.8426 18298.3558 0.0000 0.0000 34294.1022 -149854.0692 299.4989 -184148.1714 -149754.6196 297.8940 174.6270 202.0087 557659.4480 10.9261 11.0186 PRESSURE: 3041400 238.856 -30.1678 8.67877 -30.1665 38.3442 -67.0745 8.67867 -67.0746 -130.788 GPRESSURE: 3041400 218.138 30.1352 -8.36243 62.0693 111.066 -154.858 -142.905 -26.1365 -97.6944 PRESSAVG: 3041400 -48.5237 -66.8971 25.131 -66.897 23.2675 -2.39519 25.1309 -2.39524 -30.2227 GPRESSAVG: 3041400 -49.3598 -67.6886 25.5354 -68.5152 22.7919 -2.24275 24.3677 -0.982551 -29.7399 TIMING: 3041400 CPU: 9159.72, 0.00296415/step Wall: 9159.72, 0.00296415/step, 1.61266 hours remaining, 207.917969 MB of memory in use. ENERGY: 3041400 781.8755 2110.1524 1963.1912 101.7864 -206998.0266 18202.3712 0.0000 0.0000 34033.6623 -149804.9877 297.2244 -183838.6500 -149706.8750 298.1666 48.8039 77.1701 558094.2041 -18.4930 -18.7693 PRESSURE: 3041600 49.467 158.161 -95.0404 158.161 63.469 10.242 -95.0408 10.2416 68.2876 GPRESSURE: 3041600 68.2629 196.25 -166.189 91.6715 94.8265 53.5164 -9.491 -45.982 92.027 PRESSAVG: 3041600 -50.5347 -14.2749 -11.2951 -14.275 42.4205 -60.1555 -11.295 -60.1555 21.4492 GPRESSAVG: 3041600 -50.6577 -14.7947 -11.672 -15.0765 43.0684 -61.5937 -10.8487 -60.6668 21.1446 TIMING: 3041600 CPU: 9160.31, 0.00297799/step Wall: 9160.31, 0.00297799/step, 1.62003 hours remaining, 207.917969 MB of memory in use. ENERGY: 3041600 740.6030 2063.1464 1944.3377 123.2704 -206971.2566 18271.4664 0.0000 0.0000 34078.3804 -149750.0523 297.6150 -183828.4327 -149652.6827 297.7622 60.4079 85.0388 558804.7520 4.4450 4.5184 PRESSURE: 3041800 -417.908 173.601 88.4024 173.601 -260.97 62.2944 88.4014 62.2939 -116.121 GPRESSURE: 3041800 -365.66 186.363 75.9026 93.5165 -179.186 -9.5753 109.772 25.2429 -165.304 PRESSAVG: 3041800 -16.376 -34.2267 21.284 -34.2268 46.4886 -3.39288 21.2841 -3.39273 -27.9802 GPRESSAVG: 3041800 -16.2717 -34.9257 22.0541 -32.785 46.5894 -4.21688 21.2194 -2.11698 -28.3291 TIMING: 3041800 CPU: 9160.91, 0.00297235/step Wall: 9160.91, 0.00297235/step, 1.61679 hours remaining, 207.917969 MB of memory in use. ENERGY: 3041800 752.5740 2092.5144 1921.1862 108.4205 -206318.5044 17557.0770 0.0000 0.0000 34205.7056 -149681.0266 298.7269 -183886.7322 -149587.0116 298.0681 -264.9995 -236.7171 558223.7724 0.7108 0.6628 PRESSURE: 3042000 69.4239 162.159 -64.4982 162.159 174.855 -128.839 -64.4979 -128.84 -76.5301 GPRESSURE: 3042000 136.719 127.656 -106.149 187.741 134.969 -83.9011 -53.468 -130.752 -3.84458 PRESSAVG: 3042000 -41.4428 46.361 -14.1041 46.3611 67.9396 -13.6521 -14.104 -13.6521 12.7437 GPRESSAVG: 3042000 -41.9037 45.7012 -14.6123 45.7306 67.5117 -12.103 -14.084 -15.747 13.4733 TIMING: 3042000 CPU: 9161.51, 0.00299877/step Wall: 9161.51, 0.00299877/step, 1.631 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: 3042000 756.4459 2082.5848 1940.9391 114.9362 -206614.7484 18052.4342 0.0000 0.0000 33893.5831 -149773.8251 296.0011 -183667.4082 -149677.3726 297.5761 55.9164 89.2813 558655.4308 13.0802 13.0271 PRESSURE: 3042200 -87.6249 -53.2898 227.25 -53.2892 128.564 -119.1 227.25 -119.1 68.1346 GPRESSURE: 3042200 -10.8696 -86.4286 204.55 -21.3819 129.584 -131.513 274.849 -99.302 97.0567 PRESSAVG: 3042200 -22.7587 3.09328 46.1789 3.09332 -3.52504 -51.6146 46.1789 -51.6145 9.45201 GPRESSAVG: 3042200 -22.3503 3.69925 46.1464 2.34859 -5.18371 -51.707 47.3983 -52.7199 9.91315 TIMING: 3042200 CPU: 9162.1, 0.00299157/step Wall: 9162.1, 0.00299157/step, 1.62692 hours remaining, 207.917969 MB of memory in use. ENERGY: 3042200 733.2038 2032.1638 1958.4271 113.2383 -206620.7134 18118.8649 0.0000 0.0000 33920.1199 -149744.6953 296.2328 -183664.8153 -149657.0199 297.1397 36.3578 71.9238 558418.9989 -5.6106 -5.8736 PRESSURE: 3042400 73.2268 115.826 17.6303 115.826 -53.2509 -31.6722 17.6318 -31.6713 -62.8859 GPRESSURE: 3042400 4.97668 108.318 41.2123 47.3573 55.9519 2.36419 -30.2883 -28.8916 2.05094 PRESSAVG: 3042400 19.3471 46.578 2.11372 46.5781 22.7387 6.25878 2.11369 6.2588 -1.83726 GPRESSAVG: 3042400 18.5048 47.7818 3.69234 46.3273 25.1701 5.3168 0.700452 8.03874 -3.61897 TIMING: 3042400 CPU: 9162.7, 0.00300121/step Wall: 9162.7, 0.00300121/step, 1.63199 hours remaining, 207.917969 MB of memory in use. ENERGY: 3042400 751.1096 2025.3746 1955.1896 124.8537 -206544.8889 17947.0631 0.0000 0.0000 34183.7681 -149557.5303 298.5353 -183741.2984 -149455.8682 297.4640 -14.3033 20.9932 557259.7972 13.4162 13.3520 PRESSURE: 3042600 -173.329 -71.0704 122.894 -71.0707 232.425 95.8639 122.894 95.8642 -8.61756 GPRESSURE: 3042600 -137.305 -36.2901 147.533 -107.438 195.798 26.2574 161.04 131.549 73.7271 PRESSAVG: 3042600 17.2831 11.2329 0.488091 11.233 27.1975 58.6489 0.488128 58.6488 -46.3906 GPRESSAVG: 3042600 17.8476 10.2787 -1.11245 9.49499 26.6467 58.11 0.486561 58.6944 -46.4602 TIMING: 3042600 CPU: 9163.3, 0.00298927/step Wall: 9163.3, 0.00298927/step, 1.62533 hours remaining, 207.917969 MB of memory in use. ENERGY: 3042600 745.4941 2067.3859 1919.0699 97.7201 -206547.4119 17936.9392 0.0000 0.0000 34193.7357 -149587.0670 298.6224 -183780.8028 -149493.0994 298.1031 16.8261 44.0732 557370.1682 -0.6367 -0.6553 PRESSURE: 3042800 431.789 -74.1807 -4.68225 -74.1808 38.231 57.7924 -4.68112 57.7912 217.614 GPRESSURE: 3042800 377.218 -101.535 -115.669 5.74464 85.9642 87.3463 -45.7905 -65.2041 308.578 PRESSAVG: 3042800 -5.80443 -26.0957 4.35923 -26.0957 17.2746 18.9882 4.35919 18.9881 15.624 GPRESSAVG: 3042800 -5.6357 -27.2945 3.12809 -22.1997 17.6773 18.4676 5.74758 18.2992 15.5246 TIMING: 3042800 CPU: 9163.9, 0.00300104/step Wall: 9163.9, 0.00300104/step, 1.63157 hours remaining, 207.917969 MB of memory in use. ENERGY: 3042800 756.6219 2141.0406 1945.0486 119.2576 -206552.1855 18113.3279 0.0000 0.0000 34147.1227 -149329.7663 298.2153 -183476.8889 -149241.5709 298.3503 229.2114 257.2533 554734.5398 9.0314 9.1887 PRESSURE: 3043000 -94.3208 -34.4758 180.605 -34.4748 -235.506 127.581 180.605 127.581 -95.3622 GPRESSURE: 3043000 -72.3261 69.538 202.03 -66.3475 -190.863 151.677 189.544 70.4401 -66.1201 PRESSAVG: 3043000 25.1962 -16.3436 -28.1617 -16.3436 -63.6071 22.1342 -28.1616 22.1342 25.5737 GPRESSAVG: 3043000 24.5696 -15.6573 -27.4744 -16.5831 -63.2984 23.5701 -29.7785 23.4081 26.1778 TIMING: 3043000 CPU: 9164.5, 0.00300728/step Wall: 9164.5, 0.00300728/step, 1.63479 hours remaining, 207.917969 MB of memory in use. ENERGY: 3043000 788.9405 2078.0782 1944.0088 109.7547 -205984.4910 17576.1120 0.0000 0.0000 34209.3077 -149278.2890 298.7584 -183487.5967 -149178.0112 299.6559 -141.7295 -109.7699 557680.4476 -4.2791 -4.1837 PRESSURE: 3043200 45.5826 57.1608 75.7094 57.1609 -78.5284 -90.1814 75.7101 -90.1809 120.339 GPRESSURE: 3043200 73.9212 32.3331 58.6018 38.8708 -23.5925 -74.9129 108.067 -106.869 142.006 PRESSAVG: 3043200 17.7349 -13.1113 33.4985 -13.1113 5.49863 -31.6904 33.4986 -31.6904 -69.9885 GPRESSAVG: 3043200 18.4483 -12.9698 33.355 -15.5178 4.70631 -30.8191 34.4573 -31.4854 -70.1643 TIMING: 3043200 CPU: 9165.1, 0.00300409/step Wall: 9165.1, 0.00300409/step, 1.63289 hours remaining, 207.917969 MB of memory in use. ENERGY: 3043200 722.6791 2098.1300 1925.6585 108.6394 -206335.9403 17778.5871 0.0000 0.0000 34445.2724 -149256.9737 300.8191 -183702.2461 -149158.0285 299.3625 29.1312 64.1115 556828.1538 -15.5850 -15.6699 PRESSURE: 3043400 59.3486 -115.985 244.018 -115.986 21.1588 -103.718 244.019 -103.718 -111.302 GPRESSURE: 3043400 102.851 -106.451 251.558 -52.5613 70.9555 -75.0796 192.054 -176.468 -109.957 PRESSAVG: 3043400 7.75703 -77.358 21.5636 -77.3579 17.6829 19.9903 21.5636 19.9904 -44.0274 GPRESSAVG: 3043400 8.59879 -78.5622 21.8887 -75.0843 17.0775 18.1262 20.4113 19.8955 -43.9473 TIMING: 3043400 CPU: 9165.7, 0.00299776/step Wall: 9165.7, 0.00299776/step, 1.62928 hours remaining, 207.917969 MB of memory in use. ENERGY: 3043400 742.0990 2074.8025 1934.4324 101.2576 -206056.1939 17610.1416 0.0000 0.0000 34340.2403 -149253.2206 299.9019 -183593.4608 -149151.4035 299.2732 -10.2649 21.2832 558085.9143 -6.1958 -6.0903 PRESSURE: 3043600 204.334 -91.6981 57.4139 -91.6968 -32.5435 247.817 57.4141 247.817 -60.0441 GPRESSURE: 3043600 257.426 -161.501 83.9017 -84.684 -31.6789 236.955 80.9053 191.613 -26.6651 PRESSAVG: 3043600 -6.964 8.51639 57.4633 8.51647 -4.67106 24.8442 57.4632 24.8441 -26.1562 GPRESSAVG: 3043600 -6.74857 8.2066 57.4489 7.09378 -4.10759 28.8538 57.7406 22.3699 -27.5166 TIMING: 3043600 CPU: 9166.3, 0.0030055/step Wall: 9166.3, 0.0030055/step, 1.63332 hours remaining, 207.917969 MB of memory in use. ENERGY: 3043600 759.4586 2099.7341 1948.6410 103.4855 -205968.2386 17752.7243 0.0000 0.0000 33919.1233 -149385.0718 296.2241 -183304.1951 -149280.8123 299.7568 37.2489 66.3606 556577.0756 -12.5971 -12.7909 PRESSURE: 3043800 -145.634 -19.396 -76.2103 -19.395 -298.923 131.564 -76.2109 131.564 -212.606 GPRESSURE: 3043800 -96.3564 -21.655 -78.0506 -21.4232 -258.386 87.0609 -41.304 183.326 -218.837 PRESSAVG: 3043800 28.3015 25.5124 9.90906 25.5125 52.3313 10.6572 9.90894 10.6572 -32.6788 GPRESSAVG: 3043800 26.9548 27.3669 9.85723 26.0083 52.5145 6.84801 8.72493 13.4379 -31.6664 TIMING: 3043800 CPU: 9166.9, 0.00298211/step Wall: 9166.9, 0.00298211/step, 1.62044 hours remaining, 207.917969 MB of memory in use. ENERGY: 3043800 761.4794 2120.5477 1887.7711 99.6812 -206014.4535 17597.2501 0.0000 0.0000 34250.8319 -149296.8921 299.1210 -183547.7241 -149197.3564 299.1303 -219.0543 -191.1931 558170.6102 15.9847 15.9343 PRESSURE: 3044000 -151.237 145.646 -33.395 145.647 275.661 121.015 -33.3943 121.013 37.1765 GPRESSURE: 3044000 -76.8762 140.936 23.0382 132.367 304.214 175.134 -32.9872 140.373 21.6711 PRESSAVG: 3044000 42.212 60.4041 -35.6236 60.404 -54.3631 19.0757 -35.6237 19.0758 -43.774 GPRESSAVG: 3044000 42.8968 60.8925 -33.3749 60.2303 -54.7178 21.1568 -34.5722 17.6236 -43.8168 TIMING: 3044000 CPU: 9167.5, 0.00297245/step Wall: 9167.5, 0.00297245/step, 1.61503 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: 3044000 763.7396 2109.9779 1917.5185 111.9779 -206336.2549 17902.2710 0.0000 0.0000 34411.1676 -149119.6022 300.5213 -183530.7699 -149023.3898 299.2237 53.8670 83.0029 557537.9355 -18.6417 -18.5459 PRESSURE: 3044200 37.6474 -110.581 67.8394 -110.581 -72.1156 81.7519 67.8394 81.7518 -21.7749 GPRESSURE: 3044200 74.5342 -87.8291 -22.841 -79.5664 -14.3531 53.1288 50.0487 119.344 -19.2548 PRESSAVG: 3044200 1.47607 -75.845 -9.73474 -75.845 6.66369 11.4118 -9.73474 11.4118 6.5884 GPRESSAVG: 3044200 1.40108 -76.3285 -11.1102 -74.2417 5.69995 9.66328 -9.80881 13.9672 7.76139 TIMING: 3044200 CPU: 9168.09, 0.00298401/step Wall: 9168.09, 0.00298401/step, 1.62115 hours remaining, 207.917969 MB of memory in use. ENERGY: 3044200 728.8430 2129.9575 1936.0014 110.9944 -205932.5672 17564.3121 0.0000 0.0000 34279.2887 -149183.1701 299.3696 -183462.4589 -149091.4378 299.3903 -18.7477 13.6421 557735.7991 4.9094 4.9541 LDB: ============= START OF LOAD BALANCING ============== 9171.61 LDB: ============== END OF LOAD BALANCING =============== 9171.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9171.61 LDB: ============= START OF LOAD BALANCING ============== 9171.91 LDB: Largest compute 4774 load 0.028385 is 24.0% of average load 0.118127 LDB: Average compute 0.001727 is 1.5% of average load 0.118127 LDB: TIME 9171.92 LOAD: AVG 0.118127 MAX 0.210785 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.43 MB LDB: TIME 9171.92 LOAD: AVG 0.118127 MAX 0.210785 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: TIME 9171.92 LOAD: AVG 0.118127 MAX 0.210785 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9171.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9171.92 PRESSURE: 3044400 133.748 -203.5 82.7237 -203.5 -208.069 -150.161 82.7242 -150.16 -141.251 GPRESSURE: 3044400 106.804 -125.815 190.265 -226.368 -152.867 -113.283 43.4631 -65.7613 -72.4586 PRESSAVG: 3044400 -68.1589 -17.8938 -9.89069 -17.8939 49.8599 47.3705 -9.89071 47.3706 -10.46 GPRESSAVG: 3044400 -68.2206 -17.7326 -10.2463 -17.776 49.6464 47.4025 -9.49974 46.1565 -9.80401 TIMING: 3044400 CPU: 9168.71, 0.003064/step Wall: 9168.71, 0.003064/step, 1.66443 hours remaining, 209.253906 MB of memory in use. ENERGY: 3044400 761.1985 2105.1053 1934.9551 105.8640 -205915.8474 17666.9536 0.0000 0.0000 34108.1973 -149233.5735 297.8754 -183341.7708 -149134.0756 299.2596 -71.8572 -39.5073 558079.8021 -9.5863 -9.4594 PRESSURE: 3044600 -142.597 -63.5221 17.5257 -63.5225 79.2336 -19.9139 17.5259 -19.9148 15.1698 GPRESSURE: 3044600 -60.6813 -10.6079 4.40814 -35.928 79.2599 -88.5713 -39.2389 38.1581 36.8774 PRESSAVG: 3044600 -34.5416 -71.6362 10.1013 -71.6362 6.98813 7.60825 10.1013 7.60806 -23.5064 GPRESSAVG: 3044600 -33.504 -71.9782 9.3471 -73.5378 8.48952 8.03793 9.18257 7.39149 -25.6391 TIMING: 3044600 CPU: 9169.3, 0.00298007/step Wall: 9169.3, 0.00298007/step, 1.61867 hours remaining, 209.324219 MB of memory in use. ENERGY: 3044600 716.9065 2068.5792 1903.2269 101.1455 -206398.4634 17942.3533 0.0000 0.0000 34327.7005 -149338.5515 299.7923 -183666.2521 -149232.7900 298.9972 -16.0646 18.4853 556361.0041 -17.0200 -16.8845 PRESSURE: 3044800 21.958 134.008 -104.037 134.006 42.5293 -62.4525 -104.038 -62.4518 -102.924 GPRESSURE: 3044800 30.9531 194.777 -72.2649 67.1965 57.3217 30.619 -99.4755 -126.858 -31.0442 PRESSAVG: 3044800 8.89039 -17.9843 -35.4827 -17.9842 6.48807 -10.3507 -35.4827 -10.3507 10.9035 GPRESSAVG: 3044800 7.54405 -18.3305 -32.2409 -15.7234 6.44008 -10.1905 -37.2494 -9.27966 12.4502 TIMING: 3044800 CPU: 9169.9, 0.00299237/step Wall: 9169.9, 0.00299237/step, 1.62519 hours remaining, 209.324219 MB of memory in use. ENERGY: 3044800 734.8142 2114.1785 1946.0908 122.9978 -206261.8599 17726.7592 0.0000 0.0000 34293.7601 -149323.2594 299.4959 -183617.0196 -149228.3510 299.2484 -12.8123 19.0769 556415.5183 8.7606 8.8114 PRESSURE: 3045000 4.69635 140.757 189.937 140.757 -128.099 30.7208 189.937 30.723 31.6742 GPRESSURE: 3045000 25.3535 140.153 261.134 171.823 -89.8611 -5.0513 74.9226 -1.38156 68.0823 PRESSAVG: 3045000 -24.3773 -2.75581 -19.1691 -2.75582 13.5931 23.4067 -19.1691 23.4067 9.44913 GPRESSAVG: 3045000 -24.34 -2.70426 -22.56 -2.98006 12.2533 22.5323 -17.1715 23.373 9.96811 TIMING: 3045000 CPU: 9170.5, 0.00298192/step Wall: 9170.5, 0.00298192/step, 1.61935 hours remaining, 209.324219 MB of memory in use. ENERGY: 3045000 737.6665 2081.4392 1933.1569 104.9469 -206116.4872 17539.7042 0.0000 0.0000 34388.3238 -149331.2497 300.3218 -183719.5735 -149234.0078 298.8927 -30.5761 1.1916 556117.4832 -0.4450 -0.7062 PRESSURE: 3045200 -164.409 5.07954 209.597 5.07959 -51.6441 -83.8862 209.596 -83.8845 22.8832 GPRESSURE: 3045200 -151.854 43.5824 221.051 -0.984536 37.6278 53.9975 259.873 -105.658 13.1985 PRESSAVG: 3045200 -33.5162 34.3546 -0.334822 34.3545 5.54353 3.30626 -0.334892 3.30627 22.8056 GPRESSAVG: 3045200 -33.1294 35.6413 -0.947779 33.3051 5.74034 6.31661 -0.0580591 0.966263 21.847 TIMING: 3045200 CPU: 9171.1, 0.00299554/step Wall: 9171.1, 0.00299554/step, 1.62658 hours remaining, 209.324219 MB of memory in use. ENERGY: 3045200 732.2209 2085.9770 1946.1271 111.6415 -206129.6478 17680.9361 0.0000 0.0000 34236.2701 -149336.4750 298.9939 -183572.7451 -149243.6915 298.8796 -64.3899 -33.6759 556679.6971 -1.7223 -1.8474 PRESSURE: 3045400 -137.19 53.6395 -108.46 53.6384 116.033 -33.6171 -108.46 -33.619 -50.3022 GPRESSURE: 3045400 -108.559 5.25955 -163.627 133.666 135.612 -79.6897 -74.4098 56.1296 -7.14662 PRESSAVG: 3045400 -78.7736 60.2071 -11.0463 60.207 39.6102 -38.6968 -11.0462 -38.6968 54.685 GPRESSAVG: 3045400 -79.0787 60.8625 -8.84582 59.4273 40.1747 -39.665 -11.4482 -38.127 54.423 TIMING: 3045400 CPU: 9171.7, 0.00302364/step Wall: 9171.7, 0.00302364/step, 1.64167 hours remaining, 209.324219 MB of memory in use. ENERGY: 3045400 733.0655 2089.7323 1946.4046 107.9936 -206245.8681 17648.7307 0.0000 0.0000 34432.2555 -149287.6859 300.7055 -183719.9414 -149195.7666 299.5062 -23.8197 6.6356 555928.0845 5.1739 5.1730 PRESSURE: 3045600 -99.6777 -16.8096 -24.8713 -16.8104 -170.426 -151.988 -24.8718 -151.99 76.8621 GPRESSURE: 3045600 -77.3798 -72.721 -94.9796 -24.8617 -92.3342 -82.7943 40.0505 -206.892 82.5854 PRESSAVG: 3045600 -58.0392 -28.183 12.5463 -28.183 -7.95968 -47.6491 12.5463 -47.6491 28.8449 GPRESSAVG: 3045600 -58.139 -30.3728 12.0294 -26.6008 -7.41065 -48.5331 13.9628 -45.7533 28.3347 TIMING: 3045600 CPU: 9172.3, 0.00301898/step Wall: 9172.3, 0.00301898/step, 1.63897 hours remaining, 209.324219 MB of memory in use. ENERGY: 3045600 741.9275 2105.5290 1946.2788 114.8316 -206221.6353 17725.8040 0.0000 0.0000 34364.3538 -149222.9106 300.1124 -183587.2644 -149130.0372 299.5488 -64.4137 -29.0429 556869.6442 -12.3847 -12.4050 PRESSURE: 3045800 25.7187 -94.6838 112.529 -94.6853 -20.4247 47.1835 112.531 47.1813 14.505 GPRESSURE: 3045800 40.8364 -135.062 120.597 -37.1546 36.274 59.3766 155.266 -64.6393 44.5599 PRESSAVG: 3045800 -103.949 -20.5633 23.3233 -20.5633 33.6337 19.0691 23.3233 19.0691 19.4013 GPRESSAVG: 3045800 -103.311 -19.3042 21.7777 -21.3188 33.7609 19.442 23.5009 16.9882 18.3126 TIMING: 3045800 CPU: 9172.91, 0.00301807/step Wall: 9172.91, 0.00301807/step, 1.63831 hours remaining, 209.324219 MB of memory in use. ENERGY: 3045800 787.1498 2014.8759 1945.4951 106.5726 -206126.9833 17758.0693 0.0000 0.0000 34444.2288 -149070.5918 300.8100 -183514.8206 -148978.8177 299.3566 6.5997 40.5568 556650.7069 -16.9714 -17.0792 PRESSURE: 3046000 -166.952 20.8835 17.7292 20.8841 61.7784 -92.3179 17.7281 -92.3192 56.2404 GPRESSURE: 3046000 -136.137 -1.57753 -5.48887 67.9111 82.8164 -145.427 22.7634 -45.6847 93.1046 PRESSAVG: 3046000 -11.5131 28.9068 21.5531 28.9067 -8.4436 10.2608 21.5531 10.2608 49.9612 GPRESSAVG: 3046000 -12.4193 28.3522 23.9093 26.6625 -9.19327 10.278 18.2402 11.5963 52.1063 TIMING: 3046000 CPU: 9173.51, 0.00299551/step Wall: 9173.51, 0.00299551/step, 1.62589 hours remaining, 209.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3046000 766.3024 2058.6604 1966.9970 113.0273 -205920.7960 17638.2286 0.0000 0.0000 34448.9512 -148928.6291 300.8513 -183377.5803 -148839.7154 300.2335 -16.3110 13.2614 556055.0781 10.0015 10.1646 PRESSURE: 3046200 1.31256 188.244 -105.71 188.244 25.1797 104.447 -105.711 104.448 -177.56 GPRESSURE: 3046200 64.047 81.7058 -63.1183 141.021 95.947 52.4397 -168.572 135.275 -208.361 PRESSAVG: 3046200 57.0798 6.77986 -17.936 6.77981 -26.8158 4.44916 -17.936 4.44916 -14.2957 GPRESSAVG: 3046200 56.8328 5.13483 -19.8273 9.51737 -24.96 5.14517 -15.6067 2.80385 -15.7504 TIMING: 3046200 CPU: 9174.1, 0.0029793/step Wall: 9174.1, 0.0029793/step, 1.61693 hours remaining, 209.324219 MB of memory in use. ENERGY: 3046200 723.0922 2045.5124 1965.6354 104.6607 -205887.6050 17591.5297 0.0000 0.0000 34398.8122 -149058.3623 300.4134 -183457.1745 -148974.4564 300.1497 -50.3558 -16.1222 556987.5571 5.3228 5.3741 PRESSURE: 3046400 -16.2084 -18.0953 47.8387 -18.095 -1.40229 80.4562 47.8377 80.4554 -28.4204 GPRESSURE: 3046400 3.66038 119.166 -9.7903 -106.482 12.019 -87.5887 62.9407 141.959 40.7914 PRESSAVG: 3046400 16.1329 28.0769 -40.1018 28.0769 44.1685 -31.5209 -40.1018 -31.5208 -33.9037 GPRESSAVG: 3046400 16.6219 28.4458 -38.9496 28.6633 43.5373 -32.9011 -41.3375 -32.1413 -33.8797 TIMING: 3046400 CPU: 9174.71, 0.0030154/step Wall: 9174.71, 0.0030154/step, 1.63636 hours remaining, 209.324219 MB of memory in use. ENERGY: 3046400 766.6803 2013.4028 1934.5183 112.2351 -205796.3802 17709.3502 0.0000 0.0000 34244.2907 -149015.9029 299.0639 -183260.1936 -148920.7298 300.1739 -15.3437 18.8236 556578.5005 8.7993 8.7599 PRESSURE: 3046600 -122.304 123.738 9.793 123.739 -40.3852 2.39616 9.79294 2.3969 11.7898 GPRESSURE: 3046600 -83.211 120.589 29.5347 91.7533 -18.0551 57.8902 108.812 11.2014 49.9624 PRESSAVG: 3046600 24.7786 20.5332 -2.32243 20.5332 -21.224 -2.96584 -2.32235 -2.96584 -37.1189 GPRESSAVG: 3046600 24.2793 20.6167 -2.08335 17.6551 -21.7668 -2.28897 -1.84902 -2.34163 -35.6984 TIMING: 3046600 CPU: 9175.31, 0.00302375/step Wall: 9175.31, 0.00302375/step, 1.64072 hours remaining, 209.324219 MB of memory in use. ENERGY: 3046600 718.8062 2066.3876 1903.3636 109.6782 -206097.6332 17655.2989 0.0000 0.0000 34528.5731 -149115.5256 301.5466 -183644.0987 -149018.1549 300.1907 -50.2999 -17.1012 557603.6173 -11.1881 -11.0620 PRESSURE: 3046800 -95.1647 98.789 -51.9513 98.7894 -139.837 -53.5089 -51.9505 -53.5106 -11.7786 GPRESSURE: 3046800 -75.9464 54.0596 -59.6881 134.915 -105.222 -85.2053 37.3232 -75.6982 29.91 PRESSAVG: 3046800 -19.8317 -30.4383 24.4604 -30.4384 -6.84159 -7.99531 24.4604 -7.99528 12.7348 GPRESSAVG: 3046800 -19.4195 -28.4855 23.4621 -30.3313 -6.86836 -7.62116 24.7902 -9.18027 12.922 TIMING: 3046800 CPU: 9175.91, 0.00302062/step Wall: 9175.91, 0.00302062/step, 1.63886 hours remaining, 209.324219 MB of memory in use. ENERGY: 3046800 712.0750 2085.4368 1932.3524 123.3466 -205426.4702 17484.5418 0.0000 0.0000 34120.7410 -148967.9765 297.9849 -183088.7175 -148869.5787 299.0421 -82.2600 -50.4196 558265.4454 -4.6462 -4.4553 PRESSURE: 3047000 207.211 -110.744 29.0162 -110.744 93.1645 54.9807 29.0166 54.9797 -122.463 GPRESSURE: 3047000 274.249 -85.1848 -3.36186 -159.972 103.627 124.896 35.8313 82.2308 -89.9439 PRESSAVG: 3047000 44.3223 -27.9661 -15.9252 -27.9661 -46.9933 -20.2226 -15.9251 -20.2226 -2.26022 GPRESSAVG: 3047000 44.7566 -29.0353 -15.9617 -26.685 -46.554 -21.3433 -16.4316 -16.796 -3.10569 TIMING: 3047000 CPU: 9176.52, 0.0030131/step Wall: 9176.52, 0.0030131/step, 1.6346 hours remaining, 209.324219 MB of memory in use. ENERGY: 3047000 718.0504 2068.3897 1938.4853 105.6109 -206275.7296 17946.3785 0.0000 0.0000 34417.5936 -149081.2212 300.5774 -183498.8148 -148980.1859 299.7673 59.3042 95.9775 558257.4166 -1.6437 -1.6344 PRESSURE: 3047200 -125.828 41.4016 45.612 41.4006 97.9669 -39.2706 45.6122 -39.2695 167.694 GPRESSURE: 3047200 -148.04 56.827 87.8726 -37.8111 201.694 -34.0985 -30.1153 -12.6112 190.45 PRESSAVG: 3047200 -30.7638 -12.6124 -27.767 -12.6123 -16.0478 -19.9242 -27.7671 -19.9242 13.9946 GPRESSAVG: 3047200 -31.4654 -12.6412 -23.8157 -15.1745 -15.0931 -19.9442 -29.7171 -21.0428 14.0258 TIMING: 3047200 CPU: 9177.12, 0.0029995/step Wall: 9177.12, 0.0029995/step, 1.62706 hours remaining, 209.324219 MB of memory in use. ENERGY: 3047200 754.8800 2070.1309 1908.1759 101.4333 -206524.8161 18112.4684 0.0000 0.0000 34438.2155 -149139.5121 300.7575 -183577.7276 -149037.2828 299.9674 46.6109 81.3680 558789.4792 -10.9390 -10.8442 PRESSURE: 3047400 -102.51 -166.174 -48.7454 -166.175 -174.753 49.3665 -48.7455 49.3673 276.645 GPRESSURE: 3047400 -5.78454 -158.22 -47.4279 -165.008 -139.648 29.722 48.6639 -8.51873 233.231 PRESSAVG: 3047400 -3.89136 -19.1726 -22.0571 -19.1725 -48.1244 -11.2494 -22.0571 -11.2494 51.5821 GPRESSAVG: 3047400 -4.82707 -20.0934 -24.4285 -17.578 -47.6716 -11.1727 -19.692 -11.8566 52.1302 TIMING: 3047400 CPU: 9177.71, 0.00298595/step Wall: 9177.71, 0.00298595/step, 1.61955 hours remaining, 209.324219 MB of memory in use. ENERGY: 3047400 723.1856 2050.9015 1925.4538 111.5025 -206292.6639 17839.0580 0.0000 0.0000 34442.2711 -149200.2914 300.7929 -183642.5625 -149109.4017 299.5928 -0.2059 29.2661 558694.3589 -0.1445 -0.1228 PRESSURE: 3047600 -40.9874 -81.6476 78.1237 -81.6467 -45.5445 -144.427 78.1242 -144.428 -198.314 GPRESSURE: 3047600 -19.9732 -137.912 48.2704 -28.293 -6.4517 -151.206 102.886 -189.883 -175.961 PRESSAVG: 3047600 17.8539 -34.3203 62.8498 -34.3204 -75.4626 14.6599 62.8498 14.6599 47.5215 GPRESSAVG: 3047600 18.3802 -35.6895 62.5448 -33.2339 -76.3517 14.6474 62.6522 14.693 47.8234 TIMING: 3047600 CPU: 9178.31, 0.00299024/step Wall: 9178.31, 0.00299023/step, 1.6217 hours remaining, 209.324219 MB of memory in use. ENERGY: 3047600 721.4403 2155.4772 1907.8337 117.4812 -206185.9956 17624.5949 0.0000 0.0000 34373.3727 -149285.7954 300.1912 -183659.1682 -149193.9764 299.3286 -94.9485 -67.4619 556800.7046 -3.3624 -3.3827 PRESSURE: 3047800 -108.172 86.7281 -20.2342 86.7269 -169.438 60.0381 -20.2338 60.0388 -196.165 GPRESSURE: 3047800 -69.2068 31.9323 132.539 191.528 -183.623 6.01412 -29.7019 123.144 -124.504 PRESSAVG: 3047800 -25.5256 27.3783 20.5948 27.3783 16.0352 -15.0625 20.5948 -15.0626 12.2409 GPRESSAVG: 3047800 -24.4191 29.415 20.2901 26.3209 15.7431 -17.545 18.9222 -15.1828 11.0748 TIMING: 3047800 CPU: 9178.91, 0.00300503/step Wall: 9178.91, 0.00300503/step, 1.62956 hours remaining, 209.324219 MB of memory in use. ENERGY: 3047800 743.7628 2009.9312 1920.7311 117.1392 -206114.9873 17702.5152 0.0000 0.0000 34204.8944 -149416.0134 298.7199 -183620.9078 -149314.0336 298.7010 -157.9249 -125.7777 556427.5971 0.9168 0.7996 PRESSURE: 3048000 -122.515 -132.992 -128.654 -132.993 -135.203 -84.3846 -128.654 -84.3848 62.2911 GPRESSURE: 3048000 -65.9771 -108.767 -73.8882 -97.749 -118.917 -85.314 -168.82 -68.8046 88.7035 PRESSAVG: 3048000 -19.51 41.7822 -61.0258 41.7822 32.3561 -0.66879 -61.0258 -0.668729 10.57 GPRESSAVG: 3048000 -20.0016 41.3913 -62.7997 40.963 32.2683 2.00363 -58.2158 -1.2674 11.1743 TIMING: 3048000 CPU: 9179.51, 0.00300516/step Wall: 9179.51, 0.00300516/step, 1.62946 hours remaining, 209.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3048000 753.9532 2164.3660 1935.0566 125.3763 -206066.3605 17646.0249 0.0000 0.0000 34107.8579 -149333.7256 297.8724 -183441.5835 -149240.7865 298.6516 -65.1420 -32.0635 556974.5370 7.8053 7.8137 PRESSURE: 3048200 -17.4635 -34.604 172.297 -34.6043 -16.7866 20.7781 172.298 20.7782 168.721 GPRESSURE: 3048200 60.6984 -97.8765 210.685 -11.5153 20.9391 25.1718 127.14 5.23141 150.321 PRESSAVG: 3048200 -24.217 36.6559 -9.85578 36.6559 -41.0784 15.426 -9.85584 15.426 26.8801 GPRESSAVG: 3048200 -23.6734 35.6526 -6.99844 38.0896 -39.8505 13.6369 -12.1025 18.886 24.5332 TIMING: 3048200 CPU: 9180.12, 0.00303287/step Wall: 9180.12, 0.00303287/step, 1.64432 hours remaining, 209.324219 MB of memory in use. ENERGY: 3048200 721.4798 2047.5574 1942.5589 108.8920 -206344.8901 17915.8020 0.0000 0.0000 34170.3547 -149438.2453 298.4182 -183608.6000 -149343.5209 298.4851 44.8236 77.3196 556310.3743 -12.8051 -12.9969 LDB: ============= START OF LOAD BALANCING ============== 9183.64 LDB: ============== END OF LOAD BALANCING =============== 9183.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9183.64 LDB: ============= START OF LOAD BALANCING ============== 9183.94 LDB: Largest compute 4774 load 0.028188 is 23.9% of average load 0.118072 LDB: Average compute 0.001731 is 1.5% of average load 0.118072 LDB: TIME 9183.94 LOAD: AVG 0.118072 MAX 0.205118 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.055 MB LDB: TIME 9183.94 LOAD: AVG 0.118072 MAX 0.205118 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.055 MB LDB: TIME 9183.94 LOAD: AVG 0.118072 MAX 0.205118 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.055 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9183.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9183.95 PRESSURE: 3048400 -207.232 -33.0465 81.5966 -33.0468 -337.245 -21.6502 81.5967 -21.6502 -123.575 GPRESSURE: 3048400 -187.882 -12.9711 8.49476 -20.8818 -355.871 -33.7221 116.477 16.9401 -29.8964 PRESSAVG: 3048400 10.2497 31.0569 -2.65961 31.0569 -4.08026 -26.4875 -2.65962 -26.4876 17.4057 GPRESSAVG: 3048400 9.94339 32.6252 -3.19651 32.011 -5.76039 -26.9784 0.167165 -30.4304 18.9083 TIMING: 3048400 CPU: 9180.73, 0.00306669/step Wall: 9180.73, 0.00306669/step, 1.66249 hours remaining, 209.113281 MB of memory in use. ENERGY: 3048400 753.9084 2059.2623 1937.5386 113.1836 -206234.4594 17625.3939 0.0000 0.0000 34209.9229 -149535.2497 298.7638 -183745.1726 -149443.9944 298.4577 -222.6840 -191.2166 558007.9502 7.8584 7.6971 PRESSURE: 3048600 6.2207 34.7196 66.7062 34.7187 -416.404 83.5858 66.7053 83.585 -259.638 GPRESSURE: 3048600 35.5802 -34.8707 97.1411 74.3356 -357.83 169.856 86.2117 48.5551 -262.746 PRESSAVG: 3048600 46.9963 -67.353 -14.8692 -67.3529 -69.1521 -31.2702 -14.8691 -31.2702 23.8732 GPRESSAVG: 3048600 47.1697 -69.1525 -15.922 -67.9969 -68.983 -30.4413 -17.6189 -27.6616 23.648 TIMING: 3048600 CPU: 9181.33, 0.00296218/step Wall: 9181.33, 0.00296218/step, 1.60566 hours remaining, 209.113281 MB of memory in use. ENERGY: 3048600 732.4486 2092.7699 1922.7356 121.9135 -206220.9309 17556.9067 0.0000 0.0000 34302.8959 -149491.2608 299.5757 -183794.1567 -149398.1941 298.8041 -223.2736 -194.9985 558098.5619 0.5725 0.6116 PRESSURE: 3048800 -32.3051 -135.964 40.3771 -135.966 162.482 140.28 40.3762 140.279 -194.104 GPRESSURE: 3048800 30.4448 -138.51 63.8146 -105.823 198.783 198.507 71.8535 78.4165 -194.28 PRESSAVG: 3048800 -32.1918 -8.75453 -32.9156 -8.7545 4.80838 16.586 -32.9157 16.5859 41.1416 GPRESSAVG: 3048800 -32.6874 -5.66829 -33.7737 -9.76194 6.06328 16.9954 -31.6858 14.2724 40.3355 TIMING: 3048800 CPU: 9181.92, 0.00296993/step Wall: 9181.92, 0.00296993/step, 1.6097 hours remaining, 209.113281 MB of memory in use. ENERGY: 3048800 740.8560 2087.3992 1939.6120 111.0262 -206425.0074 17883.2567 0.0000 0.0000 34326.6469 -149336.2104 299.7831 -183662.8573 -149240.7550 299.6066 -21.3091 11.6493 557444.5611 4.5861 4.5705 PRESSURE: 3049000 99.5473 30.8061 -133.571 30.8064 -48.0797 47.4908 -133.571 47.4941 79.6435 GPRESSURE: 3049000 141.692 104.296 -120.54 -50.1757 26.5448 62.7611 -133.862 25.2544 57.108 PRESSAVG: 3049000 47.6453 28.6942 18.5837 28.6941 -12.9275 -18.0244 18.5838 -18.0242 -27.2269 GPRESSAVG: 3049000 47.2185 27.0176 16.9022 27.6969 -13.4491 -16.7274 20.2219 -18.4631 -26.1636 TIMING: 3049000 CPU: 9182.52, 0.00299088/step Wall: 9182.52, 0.00299088/step, 1.62089 hours remaining, 209.113281 MB of memory in use. ENERGY: 3049000 712.4394 2070.6402 1954.6918 119.2956 -206426.9899 17823.7345 0.0000 0.0000 34202.6171 -149543.5713 298.7000 -183746.1884 -149446.5503 298.7528 43.7037 75.1150 557132.6231 2.4970 2.5353 PRESSURE: 3049200 -195.096 -2.0185 -157.976 -2.01858 -157.545 44.7004 -157.976 44.6995 -99.8447 GPRESSURE: 3049200 -127.684 5.63916 -90.8727 137.147 -141.857 106.18 -84.3741 6.57981 -95.3206 PRESSAVG: 3049200 30.6445 -11.8944 45.6282 -11.8944 -49.1335 33.3544 45.6282 33.3543 -0.56436 GPRESSAVG: 3049200 31.346 -12.3031 47.665 -9.69422 -49.3434 30.926 43.9352 34.8135 -1.06174 TIMING: 3049200 CPU: 9183.12, 0.00301352/step Wall: 9183.12, 0.00301352/step, 1.63299 hours remaining, 209.257812 MB of memory in use. ENERGY: 3049200 765.6622 2104.1007 1935.1967 107.8519 -205940.2275 17503.6593 0.0000 0.0000 34131.5223 -149392.2346 298.0791 -183523.7569 -149298.5461 298.2398 -150.8285 -121.6203 556609.9190 -6.3511 -6.3530 PRESSURE: 3049400 -192.197 6.0728 -143.008 6.07333 -44.5033 -35.4155 -143.008 -35.414 318.195 GPRESSURE: 3049400 -180.531 47.2546 -208.674 -58.6491 11.1081 -33.8026 -62.7451 -47.2847 351.345 PRESSAVG: 3049400 48.9488 11.7008 -45.9681 11.7008 -71.9871 51.1987 -45.9682 51.1987 11.5503 GPRESSAVG: 3049400 48.1924 13.2621 -45.0443 7.60217 -71.7906 53.3256 -46.8814 49.6845 12.4078 TIMING: 3049400 CPU: 9183.72, 0.00300655/step Wall: 9183.72, 0.00300655/step, 1.62905 hours remaining, 209.257812 MB of memory in use. ENERGY: 3049400 718.8462 2072.3616 1937.2249 102.7925 -206461.1005 17920.1155 0.0000 0.0000 34308.5221 -149401.2376 299.6249 -183709.7597 -149299.7504 298.1930 27.1649 60.6409 557577.4622 -3.8293 -3.7301 PRESSURE: 3049600 -125.403 -85.1611 -40.0745 -85.1603 -216.531 -75.222 -40.0741 -75.2213 -93.5252 GPRESSURE: 3049600 -99.416 -106.372 -25.5079 -60.6178 -199.943 -59.1997 -48.8026 -38.2347 -50.9658 PRESSAVG: 3049600 9.22158 -3.50342 -23.6843 -3.50332 -36.6539 20.1078 -23.6844 20.1079 61.0066 GPRESSAVG: 3049600 7.46491 -4.9448 -25.5369 0.3398 -34.8077 18.3319 -22.3947 22.9648 60.2144 TIMING: 3049600 CPU: 9184.33, 0.00301839/step Wall: 9184.33, 0.00301839/step, 1.6353 hours remaining, 209.257812 MB of memory in use. ENERGY: 3049600 748.0453 2066.3534 1927.6173 104.5179 -205948.9385 17570.3195 0.0000 0.0000 34108.5960 -149423.4892 297.8789 -183532.0852 -149320.5194 298.9292 -145.1531 -116.7748 557899.9087 11.1914 10.9572 PRESSURE: 3049800 -141.23 112.34 69.9681 112.341 -22.5704 113.841 69.9668 113.842 -116.022 GPRESSURE: 3049800 -79.2241 170.53 62.2594 22.7294 -2.26262 129.216 20.9894 137.421 -96.5986 PRESSAVG: 3049800 6.43506 15.8359 28.0432 15.8359 -36.1397 31.7272 28.0432 31.727 -10.702 GPRESSAVG: 3049800 7.64687 15.007 30.1344 16.1536 -35.4522 34.292 27.4951 28.206 -12.0682 TIMING: 3049800 CPU: 9184.93, 0.00300132/step Wall: 9184.93, 0.00300133/step, 1.62588 hours remaining, 209.257812 MB of memory in use. ENERGY: 3049800 741.9610 1996.1087 1924.6618 96.0991 -206297.5623 17856.1822 0.0000 0.0000 34254.6558 -149427.8937 299.1544 -183682.5495 -149335.8321 298.4849 -93.2740 -59.3618 558891.7825 -13.4689 -13.2912 PRESSURE: 3050000 33.2341 -20.9299 156.058 -20.932 133.9 -91.3421 156.057 -91.3416 95.8339 GPRESSURE: 3050000 93.1567 14.317 126.38 -68.547 199.422 -142.199 138.085 -28.5761 72.2672 PRESSAVG: 3050000 54.2177 -3.47336 0.965277 -3.47336 -57.096 -32.9737 0.965277 -32.9737 12.4929 GPRESSAVG: 3050000 54.4715 -3.16971 0.243325 -3.38223 -57.6385 -35.3377 1.60284 -29.4455 13.7853 TIMING: 3050000 CPU: 9185.53, 0.00302473/step Wall: 9185.53, 0.00302473/step, 1.63839 hours remaining, 209.257812 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: 3050000 705.1207 2057.2238 1884.9409 93.9995 -206764.4041 18087.7742 0.0000 0.0000 34322.1604 -149613.1846 299.7440 -183935.3449 -149513.3655 298.7517 87.6561 121.6151 557805.7911 3.2049 3.5394 PRESSURE: 3050200 130.224 -192.953 -93.8049 -192.953 256.529 -59.4558 -93.8043 -59.456 33.2458 GPRESSURE: 3050200 138.737 -225.305 -214.901 -147.749 307.019 -50.8699 19.8941 -63.7372 68.3491 PRESSAVG: 3050200 10.9247 21.3017 3.26091 21.3018 58.4847 -15.1149 3.26098 -15.1148 -49.0252 GPRESSAVG: 3050200 12.1592 21.4902 2.74324 20.8121 57.5164 -11.7887 2.58907 -19.974 -49.6638 TIMING: 3050200 CPU: 9186.13, 0.00300366/step Wall: 9186.13, 0.00300366/step, 1.62681 hours remaining, 209.257812 MB of memory in use. ENERGY: 3050200 720.5432 2061.8052 1925.2998 106.1555 -206649.7356 18019.5899 0.0000 0.0000 34114.3028 -149702.0392 297.9287 -183816.3420 -149603.1193 297.5530 139.9995 171.3686 557272.5884 6.7948 6.6706 PRESSURE: 3050400 -35.1641 55.0288 -55.9094 55.03 -230.067 -201.375 -55.9094 -201.373 -104.181 GPRESSURE: 3050400 -5.84481 -1.11547 -55.5749 52.0739 -156.414 -124.266 37.4976 -177.305 -105.842 PRESSAVG: 3050400 -22.3775 -3.42717 10.155 -3.42716 51.6864 -16.6752 10.1551 -16.6751 -89.2999 GPRESSAVG: 3050400 -24.1838 -2.30587 11.2717 -4.86916 53.4923 -16.211 11.2439 -13.4778 -89.064 TIMING: 3050400 CPU: 9186.74, 0.00302253/step Wall: 9186.74, 0.00302253/step, 1.63687 hours remaining, 209.257812 MB of memory in use. ENERGY: 3050400 715.5434 2063.6046 1928.4276 111.6215 -206236.8240 17600.7586 0.0000 0.0000 34016.9559 -149799.9125 297.0785 -183816.8683 -149702.7727 297.1932 -123.1372 -89.3669 557557.5166 -19.9970 -19.9185 PRESSURE: 3050600 85.6456 -102.945 -14.2142 -102.945 -37.1315 52.0355 -14.2132 52.0367 87.2178 GPRESSURE: 3050600 140.387 -122.273 -61.3561 -92.5897 8.64273 30.3986 59.8692 67.3198 84.5808 PRESSAVG: 3050600 2.97203 6.68078 -47.1024 6.68072 -31.4655 15.4816 -47.1024 15.4816 36.9015 GPRESSAVG: 3050600 3.79862 5.48251 -46.5574 7.86039 -32.9289 14.0241 -47.0972 13.9907 37.4871 TIMING: 3050600 CPU: 9187.34, 0.00302721/step Wall: 9187.34, 0.00302721/step, 1.63924 hours remaining, 209.257812 MB of memory in use. ENERGY: 3050600 738.4622 2085.4835 1939.5835 113.2679 -206466.4191 17862.2852 0.0000 0.0000 34167.7470 -149559.5897 298.3954 -183727.3367 -149459.6512 297.8130 45.2440 77.8703 556197.2535 2.8027 2.7856 PRESSURE: 3050800 42.0389 -11.2915 206.908 -11.2921 -125.025 -88.2317 206.907 -88.2349 209.26 GPRESSURE: 3050800 94.0375 32.5179 256.837 -16.4685 -88.7859 -48.5853 207.001 -67.3892 216.064 PRESSAVG: 3050800 -27.2574 -12.0072 -29.1004 -12.0072 -15.1251 14.0537 -29.1004 14.0538 3.09816 GPRESSAVG: 3050800 -27.1687 -12.0859 -29.5296 -11.9149 -15.1501 13.4037 -28.5733 14.6168 3.22859 TIMING: 3050800 CPU: 9187.95, 0.00303454/step Wall: 9187.95, 0.00303454/step, 1.64304 hours remaining, 209.257812 MB of memory in use. ENERGY: 3050800 721.1137 2043.3203 1934.6491 111.8737 -206400.8023 17869.2935 0.0000 0.0000 34060.5542 -149659.9979 297.4593 -183720.5520 -149566.4240 298.0392 42.0913 73.7720 557158.3162 -13.0948 -13.0301 PRESSURE: 3051000 462.1 125.604 -3.25323 125.605 94.1681 -82.4285 -3.25215 -82.4282 3.81391 GPRESSURE: 3051000 458.12 113.145 -137.32 62.8031 202.521 -53.6551 32.6386 -86.5914 2.44997 PRESSAVG: 3051000 -30.5943 -7.15278 -6.96431 -7.15273 25.3857 12.9128 -6.96428 12.9127 -5.00453 GPRESSAVG: 3051000 -30.0302 -6.92418 -7.67916 -8.44194 25.3736 13.6022 -8.02421 12.7705 -5.48713 TIMING: 3051000 CPU: 9188.55, 0.00301459/step Wall: 9188.55, 0.00301459/step, 1.63207 hours remaining, 209.257812 MB of memory in use. ENERGY: 3051000 720.3034 2046.1886 1956.5124 108.1883 -206352.8424 17944.6561 0.0000 0.0000 34164.0186 -149412.9750 298.3629 -183576.9937 -149310.2531 298.4667 186.6939 221.0303 556864.0077 -3.4044 -3.3812 PRESSURE: 3051200 -312.786 -125.583 79.2459 -125.583 -60.7756 0.5365 79.2471 0.536169 -129.884 GPRESSURE: 3051200 -260.362 -127.107 32.8802 -93.3216 -27.4455 -46.5921 87.1171 111.25 -105.374 PRESSAVG: 3051200 8.10054 -31.0085 11.4034 -31.0086 17.8681 -14.399 11.4034 -14.399 -53.7922 GPRESSAVG: 3051200 7.86522 -31.4527 11.8731 -29.2373 17.4318 -14.2657 10.9871 -12.4581 -52.9607 TIMING: 3051200 CPU: 9189.16, 0.00302789/step Wall: 9189.16, 0.00302789/step, 1.6391 hours remaining, 209.257812 MB of memory in use. ENERGY: 3051200 748.2033 2088.1523 1929.3244 106.3316 -206058.1746 17407.8141 0.0000 0.0000 34349.8258 -149428.5232 299.9856 -183778.3490 -149335.5195 298.5848 -167.8151 -131.0604 555923.3189 -9.2745 -9.2212 PRESSURE: 3051400 -37.0999 -26.4772 175.396 -26.4761 -165.175 176.625 175.396 176.624 9.14488 GPRESSURE: 3051400 -37.8508 8.75908 199.76 -85.0328 -84.8899 138.99 141.905 137.475 29.5492 PRESSAVG: 3051400 -24.2094 -19.3525 -2.93209 -19.3524 -12.8223 -15.1219 -2.93195 -15.122 25.5828 GPRESSAVG: 3051400 -24.5577 -19.4053 -0.827115 -22.8314 -12.0672 -14.808 -2.21672 -17.8988 25.6988 TIMING: 3051400 CPU: 9189.76, 0.00300894/step Wall: 9189.76, 0.00300894/step, 1.62867 hours remaining, 209.257812 MB of memory in use. ENERGY: 3051400 763.5819 2069.5350 1906.1986 105.5329 -206019.8957 17696.2296 0.0000 0.0000 34018.8300 -149459.9876 297.0949 -183478.8177 -149360.3960 298.9332 -64.3765 -31.0638 556842.9851 -3.8163 -3.6420 PRESSURE: 3051600 -162.551 -17.308 68.3487 -17.3076 161.985 59.6452 68.3487 59.6452 37.4742 GPRESSURE: 3051600 -157.209 19.2976 22.4492 -41.4124 201.951 38.4958 -32.7311 52.5958 91.2306 PRESSAVG: 3051600 -44.9548 -8.56302 62.9526 -8.563 -66.6959 -72.3262 62.9525 -72.3262 91.9976 GPRESSAVG: 3051600 -43.8901 -8.70609 61.2612 -6.17264 -67.1726 -72.7672 63.7946 -71.4349 91.4049 TIMING: 3051600 CPU: 9190.36, 0.0030022/step Wall: 9190.36, 0.0030022/step, 1.62486 hours remaining, 209.257812 MB of memory in use. ENERGY: 3051600 765.8308 2053.7702 1941.6511 115.5015 -206551.0901 17963.3982 0.0000 0.0000 34173.2358 -149537.7026 298.4434 -183710.9384 -149445.1794 298.5301 12.3028 45.3244 555974.9308 -6.5510 -6.5526 PRESSURE: 3051800 -30.8114 -81.4695 161.317 -81.4699 -216.127 48.4118 161.318 48.4111 -6.70589 GPRESSURE: 3051800 -71.0054 47.0656 141.907 -62.3218 -144.411 -46.7992 184.727 26.2523 64.1486 PRESSAVG: 3051800 34.0682 -44.4148 77.1672 -44.4148 -80.1652 -24.7401 77.1671 -24.7402 33.7379 GPRESSAVG: 3051800 32.0481 -41.8907 75.2475 -43.5597 -79.8777 -25.1178 76.6331 -24.2674 35.7377 TIMING: 3051800 CPU: 9190.96, 0.00302083/step Wall: 9190.96, 0.00302083/step, 1.63477 hours remaining, 209.257812 MB of memory in use. ENERGY: 3051800 742.2217 2026.3068 1924.5956 115.0698 -205994.2103 17625.2757 0.0000 0.0000 33989.3019 -149571.4388 296.8370 -183560.7407 -149483.6409 298.5476 -84.5482 -50.4226 556264.6475 -4.1197 -4.0306 PRESSURE: 3052000 80.7471 -14.4167 166.197 -14.4172 -95.5769 -94.7419 166.197 -94.7432 -230.226 GPRESSURE: 3052000 109.967 -77.929 209.309 -55.3469 -32.7582 -109.847 175.203 -76.0304 -237.902 PRESSAVG: 3052000 -24.7675 -33.2946 10.2866 -33.2948 5.88341 39.5294 10.2866 39.5294 35.8516 GPRESSAVG: 3052000 -24.1201 -36.0884 11.514 -34.6324 5.77288 38.7962 10.9042 38.6482 34.7478 TIMING: 3052000 CPU: 9191.57, 0.00301457/step Wall: 9191.57, 0.00301457/step, 1.63122 hours remaining, 209.257812 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: 3052000 734.0563 2061.7808 1962.6748 103.8813 -206011.9678 17540.7749 0.0000 0.0000 34033.6555 -149575.1441 297.2244 -183608.7997 -149481.0646 298.7204 -81.6852 -53.5645 556568.7273 5.6558 5.4669 PRESSURE: 3052200 26.6457 -170.104 124.746 -170.104 -258.753 199.427 124.746 199.429 -162.029 GPRESSURE: 3052200 32.491 -158.896 189.107 -145.059 -196.528 123.208 82.9527 289.693 -127.763 PRESSAVG: 3052200 -27.358 -66.3567 17.9037 -66.3567 19.296 34.4781 17.9037 34.478 -10.6202 GPRESSAVG: 3052200 -27.0016 -65.6358 18.3415 -64.2737 19.5128 33.6327 16.9567 34.7573 -10.685 TIMING: 3052200 CPU: 9192.17, 0.00303306/step Wall: 9192.17, 0.00303306/step, 1.64105 hours remaining, 209.257812 MB of memory in use. ENERGY: 3052200 762.0159 2064.6965 1946.0305 117.8466 -206263.5964 17602.5495 0.0000 0.0000 34374.9919 -149395.4655 300.2054 -183770.4573 -149304.5704 298.8477 -131.3786 -97.2667 556709.7411 -6.2274 -6.0579 LDB: ============= START OF LOAD BALANCING ============== 9195.69 LDB: ============== END OF LOAD BALANCING =============== 9195.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9195.69 LDB: ============= START OF LOAD BALANCING ============== 9195.99 LDB: Largest compute 4774 load 0.027672 is 23.4% of average load 0.118111 LDB: Average compute 0.001728 is 1.5% of average load 0.118111 LDB: TIME 9196 LOAD: AVG 0.118111 MAX 0.210508 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.398 MB LDB: TIME 9196 LOAD: AVG 0.118111 MAX 0.210508 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.602 MB LDB: TIME 9196 LOAD: AVG 0.118111 MAX 0.210508 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.602 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9196 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9196 PRESSURE: 3052400 -113.857 -110.282 -165.279 -110.285 -118.509 21.2872 -165.277 21.2882 25.2135 GPRESSURE: 3052400 -51.3005 -163.543 -58.6284 -61.9895 -106.912 35.1087 -144.75 -63.2035 48.1925 PRESSAVG: 3052400 -4.275 -43.0507 37.0034 -43.0507 -5.5538 25.5959 37.0034 25.596 -0.0924922 GPRESSAVG: 3052400 -4.6993 -46.1623 36.9604 -42.3638 -5.10294 26.8754 36.858 24.9132 -0.215285 TIMING: 3052400 CPU: 9192.79, 0.00306701/step Wall: 9192.79, 0.00306701/step, 1.65925 hours remaining, 209.113281 MB of memory in use. ENERGY: 3052400 736.6050 2021.4447 1936.8165 124.0072 -206072.0051 17708.1038 0.0000 0.0000 34265.0376 -149279.9904 299.2451 -183545.0280 -149183.2057 299.2871 -69.0507 -36.6734 557997.6674 -3.3071 -3.3392 PRESSURE: 3052600 -112.755 -43.8482 -18.5339 -43.8473 143.388 131.758 -18.5331 131.759 -201.613 GPRESSURE: 3052600 -96.7335 -90.1804 13.2616 2.76229 198.651 83.7844 27.3966 144.81 -176.307 PRESSAVG: 3052600 27.8144 -4.85976 -32.3297 -4.85987 -10.9964 0.756529 -32.3297 0.756553 9.03059 GPRESSAVG: 3052600 28.565 -0.923503 -33.9807 -8.18377 -11.0686 0.850727 -30.0908 0.835353 8.29376 TIMING: 3052600 CPU: 9193.39, 0.00301218/step Wall: 9193.39, 0.00301218/step, 1.62942 hours remaining, 209.113281 MB of memory in use. ENERGY: 3052600 700.1590 2116.9291 1910.5625 105.8434 -206285.9831 17775.9575 0.0000 0.0000 34251.9963 -149424.5354 299.1312 -183676.5317 -149324.0238 299.1019 -56.9934 -24.7965 559493.4128 8.6162 8.5967 PRESSURE: 3052800 217.63 -34.1852 16.5854 -34.184 198.866 128.629 16.5865 128.629 31.0346 GPRESSURE: 3052800 256.845 0.662929 -6.54997 29.4957 189.646 128.286 -6.90371 143.183 112.501 PRESSAVG: 3052800 41.9816 17.2309 -12.1762 17.2309 0.198907 11.5272 -12.1762 11.5273 -36.6603 GPRESSAVG: 3052800 41.3161 16.3767 -11.3864 18.2041 0.483426 9.32457 -12.9739 13.927 -36.2855 TIMING: 3052800 CPU: 9193.99, 0.00301831/step Wall: 9193.99, 0.00301831/step, 1.63257 hours remaining, 209.113281 MB of memory in use. ENERGY: 3052800 749.3630 2063.9062 1940.9279 108.4766 -206740.6041 18262.9106 0.0000 0.0000 34272.3353 -149342.6846 299.3088 -183615.0199 -149246.3763 298.6280 149.1769 186.3308 558535.5699 1.8401 1.8380 PRESSURE: 3053000 258.289 -142.873 -22.098 -142.872 -164.895 94.3451 -22.0984 94.3428 221.589 GPRESSURE: 3053000 276.125 -122.524 18.5431 -109.026 -100.071 68.7214 -10.333 56.135 226.484 PRESSAVG: 3053000 36.2365 40.5399 -29.4587 40.5399 -97.3528 9.40181 -29.4586 9.40184 77.4553 GPRESSAVG: 3053000 36.2318 39.8238 -30.657 39.8501 -98.0173 11.257 -30.5123 8.16149 77.7297 TIMING: 3053000 CPU: 9194.59, 0.00300783/step Wall: 9194.59, 0.00300784/step, 1.62674 hours remaining, 209.316406 MB of memory in use. ENERGY: 3053000 714.6620 2117.8341 1916.9070 108.5743 -206498.9616 17978.3350 0.0000 0.0000 34341.2193 -149321.4300 299.9104 -183662.6492 -149224.5034 299.5507 104.9944 134.1795 556907.1011 5.4463 5.3147 PRESSURE: 3053200 56.9047 61.4455 -59.6036 61.4454 -132.418 -161.148 -59.6033 -161.147 26.4754 GPRESSURE: 3053200 103.157 59.229 -86.1847 20.6273 -104.877 -85.1243 -98.0681 -170.699 53.6831 PRESSAVG: 3053200 59.119 -6.06692 -35.4604 -6.06697 -111.754 18.5763 -35.4605 18.5763 93.7105 GPRESSAVG: 3053200 58.3388 -4.8012 -36.2315 -6.04397 -111.206 18.9107 -34.5973 18.4366 93.4389 TIMING: 3053200 CPU: 9195.2, 0.00300627/step Wall: 9195.2, 0.00300627/step, 1.62573 hours remaining, 209.316406 MB of memory in use. ENERGY: 3053200 701.3075 2067.6262 1950.6867 131.0974 -205716.5934 17507.2287 0.0000 0.0000 34154.6205 -149204.0266 298.2808 -183358.6471 -149113.1218 298.9154 -16.3461 17.3209 557514.4963 13.6919 13.5239 PRESSURE: 3053400 41.3159 86.2159 211.499 86.2171 -51.8039 69.7786 211.498 69.7788 -246.135 GPRESSURE: 3053400 81.0259 67.3019 263.109 132.225 -52.9843 131.003 170.001 67.5838 -173.926 PRESSAVG: 3053400 89.3399 13.7034 -47.422 13.7034 -38.0824 -34.1981 -47.4221 -34.1982 -31.6292 GPRESSAVG: 3053400 91.1397 12.1164 -42.9635 13.7199 -37.5349 -34.3842 -47.2646 -33.384 -33.7469 TIMING: 3053400 CPU: 9195.79, 0.00298828/step Wall: 9195.79, 0.00298828/step, 1.61583 hours remaining, 209.316406 MB of memory in use. ENERGY: 3053400 752.9895 2038.2971 1930.9144 114.0298 -205908.0503 17744.5158 0.0000 0.0000 34143.8512 -149183.4524 298.1867 -183327.3036 -149093.4043 299.3659 -85.5409 -48.6282 557490.6940 6.5428 6.6193 PRESSURE: 3053600 -207.563 13.2816 -116.284 13.2814 -94.0243 58.6498 -116.285 58.6497 -174.895 GPRESSURE: 3053600 -154.485 48.5078 -162.383 8.87535 -70.8935 45.028 -72.6156 60.7107 -172.219 PRESSAVG: 3053600 52.0703 -12.6241 20.4364 -12.6241 26.4505 18.3657 20.4364 18.3658 -89.5011 GPRESSAVG: 3053600 51.6291 -12.3037 18.1219 -13.0426 26.2348 18.4593 19.0618 18.5734 -89.0972 TIMING: 3053600 CPU: 9196.39, 0.00298847/step Wall: 9196.39, 0.00298847/step, 1.61576 hours remaining, 209.316406 MB of memory in use. ENERGY: 3053600 725.0829 2071.5308 1948.6510 110.1958 -205778.8868 17579.8890 0.0000 0.0000 34061.7166 -149281.8208 297.4694 -183343.5374 -149187.9787 299.3127 -158.8273 -132.5325 556595.2456 -3.6601 -3.7444 PRESSURE: 3053800 -25.8103 -71.4581 -34.7993 -71.458 -203.639 118.415 -34.7988 118.414 -128.977 GPRESSURE: 3053800 29.3008 -63.2984 -38.4414 -76.8224 -229.805 104.158 -33.346 69.658 -68.0552 PRESSAVG: 3053800 81.4038 -13.158 -23.2405 -13.158 -38.6408 -18.2031 -23.2406 -18.2031 12.1787 GPRESSAVG: 3053800 80.7024 -11.9611 -24.3325 -15.3691 -38.8022 -18.1376 -21.927 -21.1456 13.1168 TIMING: 3053800 CPU: 9196.99, 0.00301289/step Wall: 9196.99, 0.00301289/step, 1.6288 hours remaining, 209.316406 MB of memory in use. ENERGY: 3053800 745.0068 2051.3322 1944.2981 111.9055 -205618.0130 17514.1576 0.0000 0.0000 34127.1339 -149124.1790 298.0407 -183251.3129 -149031.7869 299.1386 -119.4754 -89.5197 557696.5951 18.3139 18.3390 PRESSURE: 3054000 33.5855 -142.572 -171.513 -142.573 -61.8082 -61.2395 -171.513 -61.2392 -69.3412 GPRESSURE: 3054000 49.2456 -203.983 -158.376 -34.6011 13.7287 -37.7324 -88.2076 -11.881 -62.4248 PRESSAVG: 3054000 31.6809 45.5301 34.8732 45.53 -19.4259 41.7625 34.8732 41.7626 -16.5808 GPRESSAVG: 3054000 31.8984 44.4343 34.3158 47.472 -19.2635 41.3131 35.6318 42.5806 -16.5001 TIMING: 3054000 CPU: 9197.59, 0.00298978/step Wall: 9197.59, 0.00298978/step, 1.61614 hours remaining, 209.316406 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: 3054000 742.0398 2061.3530 1957.5169 113.3289 -206038.1671 17802.0390 0.0000 0.0000 34285.3885 -149076.5011 299.4228 -183361.8896 -148977.1816 299.8110 -32.5213 0.1832 558279.7898 -1.4419 -1.2884 PRESSURE: 3054200 109.962 -15.5913 -10.8466 -15.5921 -99.5447 161.526 -10.8472 161.526 -211.647 GPRESSURE: 3054200 142.248 1.28942 33.5737 -25.2943 -81.8696 191.732 -8.30409 114.535 -172.926 PRESSAVG: 3054200 -25.6893 17.8491 69.2832 17.8492 15.5655 -18.8769 69.2832 -18.8768 20.2712 GPRESSAVG: 3054200 -25.5742 18.7807 71.5089 18.1969 15.2552 -19.6311 67.5785 -17.4078 19.6636 TIMING: 3054200 CPU: 9198.19, 0.00298932/step Wall: 9198.19, 0.00298932/step, 1.61573 hours remaining, 209.316406 MB of memory in use. ENERGY: 3054200 725.7642 2042.5396 1979.0554 112.1394 -205920.6891 17576.6234 0.0000 0.0000 34276.0992 -149208.4679 299.3417 -183484.5672 -149115.7660 299.7684 -67.0763 -37.5159 557627.1153 3.3825 3.1149 PRESSURE: 3054400 -109.715 -33.2069 33.5464 -33.2066 77.646 -86.4133 33.5468 -86.4127 -45.976 GPRESSURE: 3054400 -66.7103 -20.6531 -74.1559 12.077 91.9347 -40.2838 30.2658 -121.693 -9.93889 PRESSAVG: 3054400 -12.1671 10.3749 -9.40703 10.3748 -9.98202 34.3255 -9.40705 34.3255 42.4726 GPRESSAVG: 3054400 -12.5946 8.4597 -11.5957 12.0524 -10.6335 34.505 -9.34235 32.7222 43.6853 TIMING: 3054400 CPU: 9198.79, 0.00298521/step Wall: 9198.79, 0.00298521/step, 1.61334 hours remaining, 209.316406 MB of memory in use. ENERGY: 3054400 710.3501 2047.7546 1924.2908 114.6018 -205870.7975 17632.9325 0.0000 0.0000 34158.6685 -149282.1992 298.3161 -183440.8677 -149188.8030 299.4521 -26.0150 5.0952 557890.3225 6.7745 6.8190 PRESSURE: 3054600 26.4432 72.1658 137.068 72.1645 -55.8593 21.4962 137.069 21.4954 -112.638 GPRESSURE: 3054600 23.9044 108.373 76.1344 62.583 34.9687 58.6369 122.201 9.11342 -98.3085 PRESSAVG: 3054600 4.53569 17.9083 -2.59457 17.9083 -19.3413 -1.1134 -2.59463 -1.11339 -6.58413 GPRESSAVG: 3054600 4.71016 18.6135 -1.78483 18.2826 -19.2901 0.235307 -1.75612 -0.795922 -6.18161 TIMING: 3054600 CPU: 9199.38, 0.0029893/step Wall: 9199.38, 0.0029893/step, 1.61538 hours remaining, 209.316406 MB of memory in use. ENERGY: 3054600 689.9612 2088.0723 1941.2165 101.2299 -205971.1201 17718.2483 0.0000 0.0000 34228.9104 -149203.4816 298.9296 -183432.3920 -149108.2135 299.0832 -47.3513 -13.1451 559576.6412 -7.1299 -6.9205 PRESSURE: 3054800 259.219 -15.4329 -78.1574 -15.4316 61.3011 140.269 -78.1571 140.27 -66.171 GPRESSURE: 3054800 266.966 -5.08423 -32.8937 -30.8248 112.077 133.037 -59.3268 92.914 -29.8716 PRESSAVG: 3054800 -53.0129 28.4716 -0.317925 28.4717 34.35 55.6047 -0.317883 55.6047 -6.32709 GPRESSAVG: 3054800 -53.0517 28.5265 -0.0806397 26.2899 35.3926 56.19 -0.965216 55.5216 -7.89791 TIMING: 3054800 CPU: 9199.98, 0.00298902/step Wall: 9199.98, 0.00298902/step, 1.61507 hours remaining, 209.316406 MB of memory in use. ENERGY: 3054800 710.8239 2054.6630 1942.5827 99.3937 -206535.6640 18049.5939 0.0000 0.0000 34433.0706 -149245.5363 300.7126 -183678.6069 -149157.1207 299.3214 84.7831 116.3905 557836.5331 -8.3300 -8.5190 PRESSURE: 3055000 -426.67 -132.634 -12.8517 -132.634 -130.478 253.211 -12.8507 253.211 -47.6935 GPRESSURE: 3055000 -424.572 -143.605 -38.8353 -128.615 -104.788 204.158 -14.542 295.378 18.0879 PRESSAVG: 3055000 6.12531 30.6443 15.1339 30.6443 -33.916 21.2859 15.134 21.2859 40.9506 GPRESSAVG: 3055000 6.10825 29.848 15.4593 33.0689 -34.2001 19.2721 15.7127 23.0511 40.541 TIMING: 3055000 CPU: 9200.58, 0.00297589/step Wall: 9200.58, 0.00297589/step, 1.60781 hours remaining, 209.316406 MB of memory in use. ENERGY: 3055000 745.2911 2031.8514 1971.8507 111.7993 -205861.2171 17602.2176 0.0000 0.0000 34193.9545 -149204.2526 298.6243 -183398.2071 -149105.6376 299.3617 -201.6137 -170.4243 558325.6117 4.3866 4.1497 PRESSURE: 3055200 54.0786 23.481 -162.932 23.4798 -73.243 -119.894 -162.932 -119.894 -47.5567 GPRESSURE: 3055200 94.8058 -5.9477 -45.4666 4.26494 -69.09 -96.6047 -149.804 -110.316 16.5924 PRESSAVG: 3055200 -47.1117 47.2568 12.3101 47.2567 18.8005 30.6454 12.3101 30.6453 55.3812 GPRESSAVG: 3055200 -47.9267 48.7089 11.5617 45.0718 18.6379 31.4381 13.5225 29.1101 56.8277 TIMING: 3055200 CPU: 9201.18, 0.00301229/step Wall: 9201.18, 0.00301229/step, 1.62731 hours remaining, 209.316406 MB of memory in use. ENERGY: 3055200 742.3079 2025.5071 1943.3086 113.8065 -205895.9102 17775.3019 0.0000 0.0000 34035.0535 -149260.6247 297.2366 -183295.6782 -149162.0378 298.8157 -22.2403 14.1027 558067.1473 9.0234 9.1796 PRESSURE: 3055400 -73.8537 -63.8381 24.5429 -63.8382 -163.982 -168.324 24.543 -168.323 -88.8548 GPRESSURE: 3055400 -27.9122 -62.5097 24.6815 -42.0533 -112.104 -168.26 -38.208 -200.771 -82.2625 PRESSAVG: 3055400 -20.2507 -12.6862 -9.96588 -12.6862 -4.67542 27.0874 -9.96587 27.0874 12.2771 GPRESSAVG: 3055400 -18.3781 -12.3952 -8.47267 -10.8787 -4.64378 27.0782 -13.2556 27.2906 10.4246 TIMING: 3055400 CPU: 9201.78, 0.00301196/step Wall: 9201.78, 0.00301196/step, 1.62696 hours remaining, 209.316406 MB of memory in use. ENERGY: 3055400 739.6544 2051.7990 1946.6985 120.7671 -206255.6949 17729.3397 0.0000 0.0000 34452.3363 -149215.0998 300.8808 -183667.4362 -149120.5697 298.9453 -108.8967 -74.0930 556519.8250 -4.2163 -4.1991 PRESSURE: 3055600 51.3792 -118.653 46.3841 -118.652 41.9696 -77.2691 46.3849 -77.2672 -363.965 GPRESSURE: 3055600 100.694 -149.551 130.81 -113.188 28.6803 -119.326 83.9131 -4.8403 -292.705 PRESSAVG: 3055600 45.4699 -67.9414 7.14307 -67.9413 -47.4243 -56.5966 7.14313 -56.5966 -16.1309 GPRESSAVG: 3055600 45.0559 -67.2745 7.01287 -69.5074 -47.0951 -55.549 8.69766 -58.9436 -15.828 TIMING: 3055600 CPU: 9202.38, 0.00300544/step Wall: 9202.38, 0.00300544/step, 1.62327 hours remaining, 209.316406 MB of memory in use. ENERGY: 3055600 750.1541 2031.2784 1950.6891 124.3303 -206117.9124 17636.2266 0.0000 0.0000 34513.9517 -149111.2821 301.4189 -183625.2338 -149017.3335 299.4813 -90.2054 -54.4436 556987.1515 -6.0284 -5.9557 PRESSURE: 3055800 -81.4474 -25.9371 -149.07 -25.9388 131.313 45.3655 -149.071 45.3637 58.1605 GPRESSURE: 3055800 -35.1954 -11.0626 -115.289 40.4061 148.349 84.3081 -134.459 109.582 84.1289 PRESSAVG: 3055800 1.96264 -11.2387 36.4081 -11.2388 19.1319 -66.3612 36.4081 -66.3613 -0.902266 GPRESSAVG: 3055800 2.29957 -10.5124 34.6114 -10.1644 17.8889 -67.7431 37.6664 -64.7171 -0.27106 TIMING: 3055800 CPU: 9202.98, 0.00298401/step Wall: 9202.98, 0.00298401/step, 1.61153 hours remaining, 209.316406 MB of memory in use. ENERGY: 3055800 750.9583 2051.5022 1947.6226 107.8704 -206204.8559 17864.1612 0.0000 0.0000 34383.2892 -149099.4520 300.2778 -183482.7412 -148997.4614 300.0811 36.0086 65.7609 557416.0886 6.7308 6.6391 PRESSURE: 3056000 42.695 -163.048 14.0645 -163.049 -235.163 -41.2884 14.0636 -41.2872 87.744 GPRESSURE: 3056000 33.289 -228.88 139.025 -77.2906 -183.805 25.6133 -101.023 -119.466 144.396 PRESSAVG: 3056000 -1.33462 -14.0136 -12.2278 -14.0136 36.6275 -9.71084 -12.2279 -9.71087 -6.3018 GPRESSAVG: 3056000 -1.28463 -17.6153 -8.58784 -13.0781 36.3568 -8.93115 -14.76 -8.92952 -6.1025 TIMING: 3056000 CPU: 9203.57, 0.00296379/step Wall: 9203.57, 0.00296379/step, 1.60045 hours remaining, 209.316406 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: 3056000 748.8101 2081.0479 1922.4321 106.4760 -205870.7624 17637.1702 0.0000 0.0000 34349.6138 -149025.2123 299.9837 -183374.8261 -148935.6256 300.1546 -34.9081 -2.0401 557596.5704 9.6637 9.6566 PRESSURE: 3056200 107.599 135.77 -101.595 135.77 239.777 -16.9667 -101.594 -16.9664 -189.679 GPRESSURE: 3056200 190.507 80.3639 -47.5471 212.28 225.341 -122.132 -86.3802 -43.4061 -162.3 PRESSAVG: 3056200 26.6776 15.2714 -65.531 15.2714 20.2557 -24.1346 -65.531 -24.1347 27.1984 GPRESSAVG: 3056200 26.3682 16.8668 -68.1574 15.1776 20.6253 -25.1658 -66.3888 -23.4406 26.7926 TIMING: 3056200 CPU: 9204.17, 0.00298072/step Wall: 9204.17, 0.00298072/step, 1.60942 hours remaining, 209.316406 MB of memory in use. ENERGY: 3056200 772.3631 2069.1832 1948.7558 107.7966 -206043.3089 17853.3623 0.0000 0.0000 34456.1054 -148835.7425 300.9137 -183291.8479 -148732.8114 300.4599 52.5656 84.5160 556555.9767 24.7105 24.5954 LDB: ============= START OF LOAD BALANCING ============== 9207.68 LDB: ============== END OF LOAD BALANCING =============== 9207.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9207.68 LDB: ============= START OF LOAD BALANCING ============== 9207.98 LDB: Largest compute 4774 load 0.028698 is 24.3% of average load 0.118100 LDB: Average compute 0.001733 is 1.5% of average load 0.118100 LDB: TIME 9207.99 LOAD: AVG 0.1181 MAX 0.208477 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.566 MB LDB: TIME 9207.99 LOAD: AVG 0.1181 MAX 0.208477 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.77 MB LDB: TIME 9207.99 LOAD: AVG 0.1181 MAX 0.208477 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.77 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9207.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9207.99 PRESSURE: 3056400 265.945 65.0392 30.7351 65.0395 301.055 52.3974 30.7349 52.3973 60.2075 GPRESSURE: 3056400 288.166 32.8547 13.7911 111.225 323.884 121.771 31.9423 -28.0787 111.846 PRESSAVG: 3056400 -28.187 28.1193 -24.0023 28.1194 54.0454 -68.0508 -24.0023 -68.0509 -20.368 GPRESSAVG: 3056400 -27.823 29.4755 -25.8764 29.4332 53.6962 -68.9589 -21.5632 -68.9574 -20.2344 TIMING: 3056400 CPU: 9204.78, 0.00303173/step Wall: 9204.78, 0.00303173/step, 1.6368 hours remaining, 210.597656 MB of memory in use. ENERGY: 3056400 740.8212 2090.1540 1945.7537 119.5741 -206325.5721 18102.9893 0.0000 0.0000 34432.5753 -148893.7045 300.7082 -183326.2798 -148790.8483 300.9413 209.0693 241.2986 557578.2494 1.8301 1.8796 PRESSURE: 3056600 87.4135 43.1831 -7.07996 43.1819 0.740426 7.71006 -7.07885 7.70941 -33.0729 GPRESSURE: 3056600 137.83 7.38938 -54.8595 46.7299 5.98631 55.5562 -16.8366 -17.6631 7.49084 PRESSAVG: 3056600 21.3279 32.8393 -64.2264 32.8393 9.43075 -10.9521 -64.2264 -10.952 -11.3745 GPRESSAVG: 3056600 20.6773 33.1175 -63.4669 30.5104 9.24205 -10.4096 -64.2985 -10.7794 -10.5464 TIMING: 3056600 CPU: 9205.38, 0.00300263/step Wall: 9205.38, 0.00300263/step, 1.62092 hours remaining, 210.597656 MB of memory in use. ENERGY: 3056600 739.2303 2086.2815 1945.1357 113.5386 -205894.4434 17629.2615 0.0000 0.0000 34474.9944 -148906.0014 301.0787 -183380.9958 -148804.1972 300.3827 18.3603 50.4358 557971.1614 6.4614 6.4577 PRESSURE: 3056800 -42.721 -94.8998 60.117 -94.8987 242.488 31.3289 60.1172 31.3277 230.034 GPRESSURE: 3056800 24.1168 -98.6249 26.6302 -76.3439 255.106 -7.23843 131.837 40.1045 232.685 PRESSAVG: 3056800 -4.41745 -29.3833 -32.9575 -29.3834 27.2816 54.9291 -32.9575 54.9291 -34.0499 GPRESSAVG: 3056800 -4.1898 -28.8319 -31.5016 -29.7965 28.4172 54.5885 -33.0918 55.42 -35.4611 TIMING: 3056800 CPU: 9205.97, 0.0029837/step Wall: 9205.97, 0.0029837/step, 1.61054 hours remaining, 210.597656 MB of memory in use. ENERGY: 3056800 737.8536 2129.6564 1946.5432 112.0636 -205772.4621 17738.7766 0.0000 0.0000 34309.0467 -148798.5218 299.6294 -183107.5685 -148704.1862 299.6219 143.2670 170.6360 556844.3739 -3.7286 -3.7446 PRESSURE: 3057000 26.973 59.1267 17.4272 59.1267 -21.0731 83.6623 17.4279 83.662 123.732 GPRESSURE: 3057000 17.0417 -40.1165 42.9344 92.1317 19.3365 89.2846 -18.3149 71.8608 173.063 PRESSAVG: 3057000 -27.6515 8.68973 0.203259 8.68971 33.1255 16.8189 0.203314 16.8189 6.28165 GPRESSAVG: 3057000 -26.8716 7.04473 0.450866 8.7096 32.3673 17.1831 -2.61641 17.0083 6.71985 TIMING: 3057000 CPU: 9206.57, 0.00298587/step Wall: 9206.57, 0.00298587/step, 1.61154 hours remaining, 210.597656 MB of memory in use. ENERGY: 3057000 735.3525 2114.4438 1941.4346 116.7073 -205884.2675 17791.5169 0.0000 0.0000 34416.4800 -148768.3324 300.5677 -183184.8124 -148669.3489 300.4441 43.2105 69.8136 558592.8952 3.9185 4.0718 PRESSURE: 3057200 -186.217 24.4982 -41.3303 24.499 -111.562 -158.068 -41.3304 -158.068 -62.1253 GPRESSURE: 3057200 -183.84 77.9794 -21.5102 12.0977 -87.9412 -144.999 -29.1379 -192.605 8.25676 PRESSAVG: 3057200 -53.0226 -26.4636 27.8489 -26.4636 12.1633 28.3812 27.8489 28.3813 -6.68906 GPRESSAVG: 3057200 -52.277 -26.8792 27.5753 -25.5009 12.0525 29.4639 29.0688 27.3412 -7.42994 TIMING: 3057200 CPU: 9207.17, 0.00301024/step Wall: 9207.17, 0.00301024/step, 1.62453 hours remaining, 210.597656 MB of memory in use. ENERGY: 3057200 770.7387 2107.6686 1926.9249 104.1731 -205766.0001 17727.8182 0.0000 0.0000 34229.8063 -148898.8704 298.9374 -183128.6766 -148802.8031 300.3882 -119.9682 -87.8414 558664.7462 -15.8494 -15.8848 PRESSURE: 3057400 -121.049 -117.273 -254.973 -117.272 125.533 78.4195 -254.974 78.4188 141.649 GPRESSURE: 3057400 -30.3401 -162.494 -249.701 -71.497 137.594 88.2875 -270.753 113.956 114.076 PRESSAVG: 3057400 -20.0349 -52.1131 -39.1777 -52.1131 13.4883 -13.6282 -39.1777 -13.6283 -18.0484 GPRESSAVG: 3057400 -21.0161 -51.1899 -40.4649 -51.6271 13.5269 -14.8123 -37.3004 -12.7514 -16.8418 TIMING: 3057400 CPU: 9207.78, 0.00302265/step Wall: 9207.78, 0.00302265/step, 1.63106 hours remaining, 210.597656 MB of memory in use. ENERGY: 3057400 758.2948 2102.6861 1959.1943 113.1718 -206640.4059 17930.2408 0.0000 0.0000 34629.5489 -149147.2693 302.4285 -183776.8182 -149052.8097 299.8719 48.7112 73.7764 555644.8825 -8.1983 -8.1103 PRESSURE: 3057600 286.028 89.0932 81.8658 89.0938 -48.4346 163.01 81.8655 163.01 63.5318 GPRESSURE: 3057600 278.491 115.781 61.2601 -8.50175 37.0775 166.915 166.033 210.997 92.458 PRESSAVG: 3057600 -20.6492 -40.5589 -26.5488 -40.5589 -37.1976 -14.7753 -26.5488 -14.7753 61.2247 GPRESSAVG: 3057600 -19.2008 -41.9559 -24.9703 -40.6055 -37.4698 -12.6573 -28.7376 -17.4378 60.2427 TIMING: 3057600 CPU: 9208.38, 0.0030051/step Wall: 9208.38, 0.0030051/step, 1.62142 hours remaining, 210.597656 MB of memory in use. ENERGY: 3057600 743.0570 2057.4701 1949.3731 126.2934 -206487.0092 17903.0880 0.0000 0.0000 34501.0422 -149206.6854 301.3062 -183707.7275 -149106.4720 299.5818 100.3752 136.0088 555724.3148 1.1260 1.1907 PRESSURE: 3057800 50.482 -54.2636 114.636 -54.2642 -80.6882 85.1563 114.636 85.1569 41.5262 GPRESSURE: 3057800 62.454 -1.62275 72.7552 -41.3942 -22.8021 -60.811 150.142 160.904 67.2771 PRESSAVG: 3057800 3.84104 -56.2259 -19.071 -56.2259 17.6529 35.654 -19.071 35.6539 -6.56945 GPRESSAVG: 3057800 3.66461 -53.1629 -20.9907 -56.9757 18.1282 35.103 -15.895 35.5254 -6.66146 TIMING: 3057800 CPU: 9208.98, 0.00301415/step Wall: 9208.98, 0.00301415/step, 1.62613 hours remaining, 210.597656 MB of memory in use. ENERGY: 3057800 741.7132 2097.9743 1945.0259 109.1117 -206040.7147 17613.7088 0.0000 0.0000 34295.2983 -149237.8826 299.5094 -183533.1808 -149139.8716 299.6355 3.7733 35.6430 557030.3673 4.9748 5.0438 PRESSURE: 3058000 205.202 -26.7847 205.215 -26.7841 -86.9414 -130.244 205.216 -130.244 -86.311 GPRESSURE: 3058000 237.082 -65.8854 141.392 -20.468 -100.257 -47.4808 173.69 -191.746 -6.47282 PRESSAVG: 3058000 22.9102 -19.5353 14.756 -19.5353 -56.6254 -26.0202 14.7559 -26.0203 -2.34591 GPRESSAVG: 3058000 22.4129 -21.842 16.7665 -20.3925 -57.0771 -26.3844 12.4665 -24.9026 -1.50885 TIMING: 3058000 CPU: 9209.58, 0.0030116/step Wall: 9209.58, 0.0030116/step, 1.62459 hours remaining, 210.597656 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: 3058000 761.5224 2040.0468 1929.6482 112.5156 -206052.4073 17770.4414 0.0000 0.0000 34212.1665 -149226.0663 298.7834 -183438.2329 -149126.4512 299.2053 10.6499 43.4506 557370.9357 -12.0204 -12.0577 PRESSURE: 3058200 61.2345 57.5151 14.6677 57.516 -231.438 -80.1723 14.6671 -80.1724 -41.9176 GPRESSURE: 3058200 58.1162 11.9018 107.456 128.443 -252.156 -91.0379 -33.1073 -79.0789 86.4814 PRESSAVG: 3058200 42.8773 -32.5123 2.15777 -32.5123 -26.1374 -45.745 2.15773 -45.7451 16.0644 GPRESSAVG: 3058200 41.406 -30.9 1.75805 -31.9283 -26.1578 -47.3835 2.91738 -43.962 17.4743 TIMING: 3058200 CPU: 9210.18, 0.00299578/step Wall: 9210.18, 0.00299578/step, 1.61589 hours remaining, 210.800781 MB of memory in use. ENERGY: 3058200 732.3226 2063.7655 1944.8992 103.9874 -206229.7866 17921.3550 0.0000 0.0000 34285.2577 -149178.1992 299.4217 -183463.4569 -149079.9429 299.5172 -70.7071 -35.8529 557912.5784 10.9348 10.9075 PRESSURE: 3058400 137.701 94.331 -58.1066 94.3315 6.95499 59.4497 -58.1069 59.4489 179.62 GPRESSURE: 3058400 169.622 73.8902 -111.222 95.4841 30.1243 96.8639 110.819 78.1696 212.469 PRESSAVG: 3058400 -8.01259 -16.035 37.6586 -16.035 -44.009 -42.4731 37.6585 -42.4732 71.2294 GPRESSAVG: 3058400 -8.41543 -17.7016 36.9789 -14.132 -42.2802 -41.1564 36.6617 -41.5521 69.6745 TIMING: 3058400 CPU: 9210.79, 0.00301624/step Wall: 9210.79, 0.00301624/step, 1.62676 hours remaining, 210.800781 MB of memory in use. ENERGY: 3058400 737.1677 2041.9331 1948.0718 104.9465 -206238.5463 17845.1737 0.0000 0.0000 34482.6576 -149078.5958 301.1456 -183561.2535 -148974.5625 300.0651 108.0922 137.4048 555941.0093 6.4026 6.3263 PRESSURE: 3058600 -12.7845 125.235 32.0892 125.235 -415.729 41.9967 32.0891 41.9963 -299.964 GPRESSURE: 3058600 17.5879 129.219 -43.4089 109.644 -418.422 -53.5612 113.662 79.5091 -242.756 PRESSAVG: 3058600 -2.35749 3.2756 -22.3019 3.27561 -15.569 24.2131 -22.3019 24.213 22.8534 GPRESSAVG: 3058600 -1.64565 3.61844 -21.0354 2.755 -15.8124 23.7775 -23.9477 21.6556 22.2946 TIMING: 3058600 CPU: 9211.39, 0.00300021/step Wall: 9211.39, 0.00300021/step, 1.61794 hours remaining, 210.800781 MB of memory in use. ENERGY: 3058600 751.5060 2042.1225 1922.1845 109.0963 -205765.9445 17469.6606 0.0000 0.0000 34323.6655 -149147.7090 299.7571 -183471.3745 -149047.6462 299.9722 -242.8256 -214.5301 558250.3504 1.6423 1.6122 PRESSURE: 3058800 -162.477 15.0201 149.188 15.0196 67.6613 54.1038 149.189 54.1024 -150.329 GPRESSURE: 3058800 -89.2274 63.9875 226.692 -32.4161 85.3802 -4.4787 124.46 42.8175 -138.58 PRESSAVG: 3058800 16.6165 31.2522 9.29252 31.2523 32.5407 53.241 9.29238 53.241 -72.5813 GPRESSAVG: 3058800 16.6626 30.1698 8.11575 29.5606 32.5277 52.7886 11.8091 54.1461 -72.3232 TIMING: 3058800 CPU: 9211.98, 0.00299752/step Wall: 9211.98, 0.00299752/step, 1.61633 hours remaining, 210.800781 MB of memory in use. ENERGY: 3058800 709.2429 2042.6098 1950.9474 107.3777 -205791.1492 17696.3617 0.0000 0.0000 34284.0504 -149000.5593 299.4111 -183284.6097 -148899.3212 300.0485 -81.7148 -47.4757 557839.8971 -7.8080 -7.7110 PRESSURE: 3059000 126.214 82.5579 -119.25 82.558 -67.7655 173.408 -119.25 173.408 -159.228 GPRESSURE: 3059000 89.8301 39.9682 -149.199 144.775 -10.0117 173.118 -39.2592 164.993 -79.4462 PRESSAVG: 3059000 -0.219135 3.65361 4.02499 3.65363 25.2536 25.0639 4.02491 25.064 7.25098 GPRESSAVG: 3059000 -0.58656 3.72811 3.79592 5.53418 25.3421 26.7618 3.57867 24.9267 7.64506 TIMING: 3059000 CPU: 9212.58, 0.00298464/step Wall: 9212.58, 0.00298464/step, 1.60922 hours remaining, 210.800781 MB of memory in use. ENERGY: 3059000 777.2230 2061.7498 1926.6906 115.9185 -205954.8950 17728.4227 0.0000 0.0000 34335.1088 -149009.7815 299.8570 -183344.8903 -148911.7801 299.7947 -33.5931 0.1240 556986.4085 10.7618 10.8002 PRESSURE: 3059200 340.566 -4.6321 -95.3845 -4.6316 119.025 104.602 -95.3846 104.603 348.666 GPRESSURE: 3059200 402.872 73.3657 -154.466 7.5906 137.376 78.2986 -83.6966 117.262 362.636 PRESSAVG: 3059200 105.394 15.6136 -39.5982 15.6136 -106.142 8.16996 -39.5981 8.16997 38.2363 GPRESSAVG: 3059200 106.814 17.8798 -39.1288 14.902 -106.967 7.10694 -39.9346 6.99235 37.24 TIMING: 3059200 CPU: 9213.18, 0.00300517/step Wall: 9213.18, 0.00300517/step, 1.62012 hours remaining, 210.800781 MB of memory in use. ENERGY: 3059200 772.4083 2025.6667 1919.6903 107.9886 -206470.2896 18272.6060 0.0000 0.0000 34448.1592 -148923.7708 300.8443 -183371.9299 -148829.1064 299.7348 269.4188 300.9614 557346.8210 12.4960 12.3623 PRESSURE: 3059400 35.8461 122.711 65.0589 122.711 -169.145 15.9086 65.0588 15.9094 124.999 GPRESSURE: 3059400 95.9957 108.791 136.859 38.1652 -159.921 -8.72311 -16.124 -33.4517 165.72 PRESSAVG: 3059400 -0.295789 -34.0914 -5.19363 -34.0914 -53.5706 -71.0555 -5.19373 -71.0554 24.8167 GPRESSAVG: 3059400 -1.63669 -34.1897 -5.65885 -36.1351 -53.0542 -70.8274 -4.92168 -70.6108 26.3399 TIMING: 3059400 CPU: 9213.78, 0.00300061/step Wall: 9213.78, 0.00300061/step, 1.6175 hours remaining, 210.800781 MB of memory in use. ENERGY: 3059400 776.4170 2027.7426 1940.6837 100.1564 -205773.7874 17841.9018 0.0000 0.0000 34281.1081 -148805.7778 299.3854 -183086.8859 -148710.4670 299.9380 -2.7663 33.9317 557667.0032 -9.6833 -9.4503 PRESSURE: 3059600 16.8911 112.669 -118.644 112.669 150.014 66.6745 -118.644 66.6747 30.6821 GPRESSURE: 3059600 85.1868 104.334 -101.012 73.8205 159.244 28.2883 -61.2193 107.023 45.291 PRESSAVG: 3059600 -34.7625 29.9368 -19.8223 29.9367 -50.8085 -1.7012 -19.8221 -1.70117 101.544 GPRESSAVG: 3059600 -32.8711 29.2174 -19.3312 30.4352 -50.0367 -2.21451 -18.1777 -2.29191 98.6435 TIMING: 3059600 CPU: 9214.38, 0.00297274/step Wall: 9214.38, 0.00297274/step, 1.60231 hours remaining, 210.800781 MB of memory in use. ENERGY: 3059600 750.4466 2069.5650 1924.4822 123.4165 -206068.3403 17938.3376 0.0000 0.0000 34400.7678 -148861.3246 300.4305 -183262.0924 -148769.9296 300.4728 65.8625 96.5740 557202.9622 5.3243 5.2452 PRESSURE: 3059800 -246.941 -83.3344 -49.2852 -83.3327 26.3015 80.7164 -49.2857 80.7154 -11.6636 GPRESSURE: 3059800 -187.843 -57.2451 -20.4929 7.70357 55.1492 68.7649 -24.1416 28.0414 -2.21203 PRESSAVG: 3059800 28.9737 9.23605 14.3919 9.23611 -38.9941 12.2425 14.3919 12.2424 36.1352 GPRESSAVG: 3059800 27.8693 11.4247 14.7931 10.0814 -39.3837 13.056 12.208 12.1609 37.2266 TIMING: 3059800 CPU: 9214.97, 0.00298395/step Wall: 9214.97, 0.00298395/step, 1.60819 hours remaining, 210.800781 MB of memory in use. ENERGY: 3059800 724.1025 2042.4914 1939.3593 110.9238 -205704.9422 17636.7684 0.0000 0.0000 34369.7925 -148881.5044 300.1599 -183251.2969 -148783.4174 300.3554 -77.4344 -44.9686 558470.1105 8.7049 8.5707 PRESSURE: 3060000 -173.451 -30.144 -32.2534 -30.1439 -258.65 -146.848 -32.2536 -146.848 -199.341 GPRESSURE: 3060000 -146.146 -23.471 -28.8739 -20.8694 -179.885 -164.181 -40.0921 -146.779 -190.367 PRESSAVG: 3060000 15.7508 11.8899 88.6248 11.8899 35.9208 -3.10191 88.6248 -3.10186 -36.4481 GPRESSAVG: 3060000 14.9959 11.0531 89.0813 11.4739 36.0688 -4.68328 90.4775 -1.0596 -35.9452 TIMING: 3060000 CPU: 9215.57, 0.00299784/step Wall: 9215.57, 0.00299784/step, 1.6155 hours remaining, 210.800781 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: 3060000 760.1001 2083.6572 1926.0310 109.8961 -205900.6028 17530.0324 0.0000 0.0000 34223.7900 -149267.0960 298.8849 -183490.8860 -149173.8112 299.9293 -210.4809 -172.1324 557082.8103 5.0745 5.0398 PRESSURE: 3060200 271.259 9.75497 114.527 9.75435 24.3921 19.7624 114.526 19.7637 121.195 GPRESSURE: 3060200 306.33 74.0089 190.067 -29.9969 40.0009 60.3093 84.1693 16.0783 147.492 PRESSAVG: 3060200 31.5105 -35.2847 -32.3818 -35.2847 -9.35094 -21.9208 -32.3818 -21.9208 17.0761 GPRESSAVG: 3060200 32.4145 -36.0092 -32.9102 -34.0616 -10.1367 -19.8395 -33.0734 -24.3861 16.5606 TIMING: 3060200 CPU: 9216.17, 0.0030038/step Wall: 9216.17, 0.0030038/step, 1.61855 hours remaining, 210.800781 MB of memory in use. ENERGY: 3060200 736.0292 2064.1532 1924.6061 116.4917 -206612.0636 18044.8726 0.0000 0.0000 34307.8938 -149418.0169 299.6194 -183725.9107 -149323.9985 298.5291 138.9488 164.6077 557572.4150 13.0785 12.9461 LDB: ============= START OF LOAD BALANCING ============== 9219.69 LDB: ============== END OF LOAD BALANCING =============== 9219.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9219.7 LDB: ============= START OF LOAD BALANCING ============== 9219.99 LDB: Largest compute 4774 load 0.027935 is 23.6% of average load 0.118155 LDB: Average compute 0.001737 is 1.5% of average load 0.118155 LDB: TIME 9220 LOAD: AVG 0.118155 MAX 0.207568 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.133 MB LDB: TIME 9220 LOAD: AVG 0.118155 MAX 0.207568 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.133 MB LDB: TIME 9220 LOAD: AVG 0.118155 MAX 0.207568 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.133 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9220 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9220 PRESSURE: 3060400 81.6849 113.488 75.3704 113.49 -101.83 -157.998 75.3701 -157.996 -26.1216 GPRESSURE: 3060400 131.312 48.3801 78.4641 114.645 -82.1457 -220.969 89.7101 -58.873 0.0494784 PRESSAVG: 3060400 91.7136 -12.9507 0.384304 -12.9507 -76.044 13.3126 0.384391 13.3124 -16.2745 GPRESSAVG: 3060400 90.3809 -12.7622 -1.94509 -13.0153 -75.5297 12.6875 2.10084 13.7744 -15.9225 TIMING: 3060400 CPU: 9216.79, 0.00305777/step Wall: 9216.79, 0.00305777/step, 1.64746 hours remaining, 209.156250 MB of memory in use. ENERGY: 3060400 789.2722 2078.7924 1941.7959 89.0192 -206050.8565 17723.8542 0.0000 0.0000 34153.0664 -149275.0561 298.2672 -183428.1225 -149175.8801 298.5168 -15.4222 16.4051 557277.4932 -0.2016 -0.3571 PRESSURE: 3060600 -31.3069 148.37 129.344 148.372 11.5095 -21.7014 129.343 -21.7 52.378 GPRESSURE: 3060600 15.7358 127.035 80.4805 165.099 89.8389 -38.7167 199.869 -17.1347 26.4526 PRESSAVG: 3060600 16.4518 -48.0576 39.4809 -48.0576 -8.81498 5.96283 39.4809 5.9627 -22.2379 GPRESSAVG: 3060600 16.1516 -48.7711 39.1027 -45.0907 -8.04614 3.78449 37.8422 6.26621 -22.9991 TIMING: 3060600 CPU: 9217.38, 0.00299272/step Wall: 9217.38, 0.00299272/step, 1.61224 hours remaining, 209.300781 MB of memory in use. ENERGY: 3060600 737.6365 2049.1031 1969.4443 116.0874 -206552.2384 17913.0728 0.0000 0.0000 34283.6993 -149483.1950 299.4081 -183766.8943 -149395.1768 299.0954 10.8602 44.0091 556874.7172 -4.8670 -4.9646 PRESSURE: 3060800 -90.0372 -122.059 25.4504 -122.059 67.6521 12.5667 25.4505 12.5671 -391.928 GPRESSURE: 3060800 -90.2781 -88.5618 27.6556 -113.853 31.5093 70.3235 31.1984 -49.8888 -267.315 PRESSAVG: 3060800 4.03916 -66.8182 -6.54947 -66.8181 65.9764 13.0945 -6.54955 13.0946 -34.3418 GPRESSAVG: 3060800 3.07728 -66.4961 -5.51599 -68.4466 65.6263 15.2494 -8.11305 10.6235 -33.2127 TIMING: 3060800 CPU: 9217.99, 0.00302714/step Wall: 9217.99, 0.00302714/step, 1.63062 hours remaining, 209.535156 MB of memory in use. ENERGY: 3060800 719.7792 2090.7790 1954.9216 113.5911 -206525.1479 17714.5035 0.0000 0.0000 34235.6584 -149695.9151 298.9885 -183931.5735 -149591.1257 298.7878 -138.1045 -108.6946 558100.9986 11.8913 11.8303 PRESSURE: 3061000 -34.1465 107.791 102.698 107.792 -157.873 198.469 102.698 198.469 -357.123 GPRESSURE: 3061000 -15.3283 102.159 117.427 17.8324 -161.42 178.309 87.3903 137.797 -282.883 PRESSAVG: 3061000 -53.663 -21.1783 -26.0115 -21.1783 58.5058 -13.0466 -26.0116 -13.0465 26.9542 GPRESSAVG: 3061000 -52.2647 -21.8728 -25.4671 -23.9895 57.6284 -13.7042 -23.1618 -11.3686 26.4327 TIMING: 3061000 CPU: 9218.59, 0.0029911/step Wall: 9218.59, 0.00299109/step, 1.61104 hours remaining, 209.535156 MB of memory in use. ENERGY: 3061000 765.2128 2097.5711 1957.5847 103.6104 -206208.7491 17525.3754 0.0000 0.0000 34048.6839 -149710.7108 297.3556 -183759.3947 -149621.5600 298.3909 -183.0475 -153.2104 556578.5538 10.5990 10.5988 PRESSURE: 3061200 -231.014 127.944 148.45 127.945 -318.928 -67.9097 148.449 -67.9098 173.735 GPRESSURE: 3061200 -228.607 87.6544 123.338 112.077 -228.651 -154.484 92.0419 -18.4168 171.333 PRESSAVG: 3061200 -35.3325 15.8962 -24.5043 15.8963 0.628705 4.63031 -24.5043 4.63041 -23.0291 GPRESSAVG: 3061200 -35.211 17.1174 -23.8276 17.8368 1.5747 3.7628 -25.231 5.59941 -23.7055 TIMING: 3061200 CPU: 9219.19, 0.00299535/step Wall: 9219.19, 0.00299535/step, 1.61316 hours remaining, 209.535156 MB of memory in use. ENERGY: 3061200 743.2026 2059.9251 1944.1431 127.2324 -206061.7335 17650.4604 0.0000 0.0000 33986.2403 -149550.5296 296.8103 -183536.7698 -149456.6422 297.8915 -125.4021 -95.3085 556839.1170 -19.2443 -19.1139 PRESSURE: 3061400 -177.68 -48.854 -60.0842 -48.8535 226.472 -93.4478 -60.0857 -93.449 88.1779 GPRESSURE: 3061400 -108.602 -29.2541 -18.8804 -73.8642 208.818 -36.4228 -79.6501 -160.984 126.644 PRESSAVG: 3061400 -62.9677 -34.0089 -41.5453 -34.0088 15.748 -41.5526 -41.5453 -41.5527 51.0321 GPRESSAVG: 3061400 -63.2289 -35.4645 -40.2687 -34.9576 16.2749 -40.8701 -43.1508 -42.4538 51.1674 TIMING: 3061400 CPU: 9219.79, 0.00299317/step Wall: 9219.79, 0.00299317/step, 1.61182 hours remaining, 209.535156 MB of memory in use. ENERGY: 3061400 734.3625 2082.2280 1950.9398 121.0502 -206557.4946 17825.0074 0.0000 0.0000 34445.2216 -149398.6852 300.8187 -183843.9068 -149295.0479 299.3372 45.6566 75.6203 555515.2499 1.2708 1.4045 PRESSURE: 3061600 -215.392 -74.0789 35.5553 -74.0782 38.3899 59.8885 35.5558 59.8883 -137.278 GPRESSURE: 3061600 -172.691 -149.535 41.3194 -34.8325 78.8122 44.8571 10.2241 53.9861 -129.183 PRESSAVG: 3061600 29.5448 3.67007 -21.9625 3.67017 11.4385 -30.6298 -21.9625 -30.6296 -44.5429 GPRESSAVG: 3061600 29.3712 4.90231 -23.1032 3.42327 11.2419 -32.6171 -22.6778 -30.1007 -44.7052 TIMING: 3061600 CPU: 9220.38, 0.00299176/step Wall: 9220.38, 0.00299176/step, 1.6109 hours remaining, 209.535156 MB of memory in use. ENERGY: 3061600 784.1536 2026.4053 1927.2843 125.7522 -206044.1414 17658.4885 0.0000 0.0000 34208.8475 -149313.2100 298.7544 -183522.0575 -149217.5170 299.3663 -104.7600 -74.3537 557337.1420 -1.1865 -1.3640 PRESSURE: 3061800 67.1716 -90.3249 75.7421 -90.3249 42.7901 -52.2522 75.7417 -52.2516 -267.499 GPRESSURE: 3061800 127.367 -40.6037 104.383 -152.576 40.4876 -96.8348 64.6352 -19.4203 -219.536 PRESSAVG: 3061800 40.0627 27.1595 -37.2097 27.1596 -7.90589 -33.3052 -37.2098 -33.3052 -38.512 GPRESSAVG: 3061800 39.1398 26.06 -37.1637 27.4213 -8.28045 -33.9601 -37.3635 -33.7643 -37.394 TIMING: 3061800 CPU: 9220.98, 0.00298447/step Wall: 9220.98, 0.00298447/step, 1.6068 hours remaining, 209.535156 MB of memory in use. ENERGY: 3061800 748.6135 2098.4221 1912.5458 111.3148 -205936.5853 17748.8429 0.0000 0.0000 34091.4380 -149225.4081 297.7290 -183316.8461 -149125.4287 299.5214 -52.5124 -17.2271 557543.2354 -2.1184 -2.1782 PRESSURE: 3062000 -189.976 55.9516 146.183 55.9514 -148.082 63.8687 146.182 63.8712 146.788 GPRESSURE: 3062000 -139.347 115.519 78.8413 -12.567 -118.746 125.347 149.707 2.6251 165.971 PRESSAVG: 3062000 -4.56133 -16.8413 -4.70598 -16.8414 -24.2955 29.8299 -4.70604 29.8299 28.4408 GPRESSAVG: 3062000 -4.4617 -15.974 -6.84178 -18.4004 -23.2627 32.3537 -3.20707 28.7004 27.6883 TIMING: 3062000 CPU: 9221.58, 0.0029975/step Wall: 9221.58, 0.0029975/step, 1.61365 hours remaining, 209.535156 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: 3062000 754.3064 2098.6255 1943.5213 116.9692 -206049.6595 17703.4361 0.0000 0.0000 34384.3265 -149048.4744 300.2869 -183432.8009 -148950.2906 299.6747 -63.7567 -30.7072 556634.6375 -0.1387 -0.0120 PRESSURE: 3062200 169.326 -49.8453 16.5332 -49.8458 -144.172 43.6137 16.5344 43.6126 -154.693 GPRESSURE: 3062200 256.378 -28.0848 0.144121 32.5023 -119.736 82.5496 23.7638 44.431 -172.047 PRESSAVG: 3062200 30.8901 5.10957 -12.1974 5.10965 -76.8824 50.7114 -12.1974 50.7114 6.45643 GPRESSAVG: 3062200 30.5347 6.08559 -10.4159 5.71974 -77.4931 51.0987 -10.4768 51.4741 6.81662 TIMING: 3062200 CPU: 9222.18, 0.00299579/step Wall: 9222.18, 0.00299579/step, 1.61257 hours remaining, 209.535156 MB of memory in use. ENERGY: 3062200 723.3414 2068.2167 1939.6027 114.0683 -206048.0887 17610.2542 0.0000 0.0000 34571.1943 -149021.4111 301.9188 -183592.6054 -148924.8835 300.2769 -43.1796 -11.8018 556826.0673 -13.1786 -13.3806 PRESSURE: 3062400 109.312 -98.9768 71.1349 -98.9782 -52.6315 -48.5514 71.1344 -48.5538 -29.9248 GPRESSURE: 3062400 175.424 -164.75 55.0217 -68.8886 -80.7955 -58.0433 88.8048 -69.5537 36.4994 PRESSAVG: 3062400 40.6642 -14.3158 -39.4023 -14.3159 -16.3457 -29.6589 -39.4023 -29.6589 -21.9368 GPRESSAVG: 3062400 42.1937 -15.6268 -38.2673 -12.6724 -17.0043 -30.7446 -41.0118 -29.4533 -22.2221 TIMING: 3062400 CPU: 9222.78, 0.00298045/step Wall: 9222.78, 0.00298045/step, 1.60414 hours remaining, 209.535156 MB of memory in use. ENERGY: 3062400 712.3162 2061.8836 1931.7659 112.0884 -205886.0178 17671.1273 0.0000 0.0000 34375.4629 -149021.3734 300.2095 -183396.8363 -148918.7862 300.0568 8.9186 43.7092 556723.3804 0.7939 0.9891 PRESSURE: 3062600 238.777 -4.45971 -66.1946 -4.45935 227.964 158.067 -66.1925 158.068 299.764 GPRESSURE: 3062600 295.693 76.0566 -23.9076 -95.4963 287.453 114.373 -39.2927 139.503 271.801 PRESSAVG: 3062600 34.2425 5.87684 -12.2353 5.87683 43.2362 -15.3984 -12.2353 -15.3984 -95.1533 GPRESSAVG: 3062600 33.2996 7.12409 -13.4781 4.49178 44.7074 -13.8909 -10.3598 -14.7232 -96.2745 TIMING: 3062600 CPU: 9223.37, 0.0029662/step Wall: 9223.37, 0.0029662/step, 1.59631 hours remaining, 209.535156 MB of memory in use. ENERGY: 3062600 737.1476 2047.6879 1918.4193 105.2350 -206248.3435 18087.7632 0.0000 0.0000 34370.5243 -148981.5661 300.1663 -183352.0904 -148887.6103 300.3397 255.5016 284.9821 555008.9349 -5.8915 -6.0892 PRESSURE: 3062800 128.663 -9.76013 -149.309 -9.75994 -64.3479 -7.31007 -149.31 -7.30905 152.336 GPRESSURE: 3062800 151.65 -40.3625 -135.1 -10.1471 55.2374 66.4346 -165.155 -22.7123 96.3897 PRESSAVG: 3062800 32.8851 12.1155 -4.23556 12.1155 -21.186 29.0531 -4.23559 29.053 8.47636 GPRESSAVG: 3062800 33.6028 11.13 -2.98168 11.3718 -22.6428 28.5771 -6.45638 28.5225 9.38947 TIMING: 3062800 CPU: 9223.97, 0.00300009/step Wall: 9223.97, 0.00300009/step, 1.61438 hours remaining, 209.535156 MB of memory in use. ENERGY: 3062800 759.6538 2127.1719 1960.0105 115.4032 -206248.6638 17793.4676 0.0000 0.0000 34373.8105 -149119.1463 300.1950 -183492.9568 -149020.9297 300.0982 72.2169 101.0924 554670.2399 6.7251 6.7831 PRESSURE: 3063000 -89.008 97.2866 -165.567 97.2859 -341.024 -50.1246 -165.566 -50.1256 -207.375 GPRESSURE: 3063000 -84.822 84.2307 -177.534 120.462 -292.92 -37.4841 -156.64 -57.0171 -163.93 PRESSAVG: 3063000 -1.87455 -34.6706 -43.6503 -34.6706 4.69349 -23.9927 -43.6502 -23.9928 31.1195 GPRESSAVG: 3063000 -1.28715 -34.1384 -46.2696 -34.0058 5.89592 -24.5502 -42.22 -23.2096 30.0859 TIMING: 3063000 CPU: 9224.57, 0.00300666/step Wall: 9224.57, 0.00300666/step, 1.61775 hours remaining, 209.535156 MB of memory in use. ENERGY: 3063000 730.5774 2049.1382 1930.3757 119.8900 -205679.0014 17299.7221 0.0000 0.0000 34345.4908 -149203.8071 299.9477 -183549.2979 -149103.4721 300.2816 -212.4691 -180.5573 556737.2184 11.3128 11.5649 PRESSURE: 3063200 -142.916 -93.1329 53.6207 -93.133 -180.85 37.5725 53.6197 37.5736 -137.263 GPRESSURE: 3063200 -138.988 -65.0528 80.4797 -72.2984 -148.413 52.6777 57.6331 -29.7701 -81.6061 PRESSAVG: 3063200 29.8563 -6.66888 0.897919 -6.66891 -9.32439 -32.3743 0.897895 -32.3743 -2.98534 GPRESSAVG: 3063200 28.9428 -8.1304 2.44419 -4.6094 -9.82123 -32.7109 0.163905 -32.2557 -1.23239 TIMING: 3063200 CPU: 9225.17, 0.00299759/step Wall: 9225.17, 0.00299759/step, 1.6127 hours remaining, 209.535156 MB of memory in use. ENERGY: 3063200 715.9891 2137.7070 1917.8463 111.5159 -205902.2559 17516.5429 0.0000 0.0000 34285.6954 -149216.9594 299.4255 -183502.6548 -149124.6214 299.8747 -153.6763 -123.0024 557397.2714 5.8489 5.9631 PRESSURE: 3063400 -2.85161 -20.3367 148.608 -20.3355 169.08 17.3265 148.607 17.328 72.6313 GPRESSURE: 3063400 73.3015 -38.1985 176.404 -34.3263 186.481 46.9047 118.062 40.974 77.663 PRESSAVG: 3063400 -7.89497 -23.386 -4.35439 -23.3859 52.5022 -41.5747 -4.3544 -41.5748 -61.7855 GPRESSAVG: 3063400 -9.4341 -22.5673 -3.02305 -24.7208 53.3502 -39.8112 -3.40943 -42.8745 -61.3064 TIMING: 3063400 CPU: 9225.77, 0.00298011/step Wall: 9225.77, 0.00298011/step, 1.60314 hours remaining, 209.535156 MB of memory in use. ENERGY: 3063400 723.0001 2083.2106 1936.2272 121.1101 -206427.0867 18054.5366 0.0000 0.0000 34077.5461 -149431.4559 297.6077 -183509.0020 -149338.0162 299.4379 79.6199 112.4820 556945.1576 -5.7261 -5.7968 PRESSURE: 3063600 -156.581 20.9751 -6.76381 20.9755 -178.437 39.6444 -6.7644 39.6455 -370.329 GPRESSURE: 3063600 -159.635 -35.7471 54.4741 86.1421 -121.059 -2.56218 -65.9282 50.8033 -331.452 PRESSAVG: 3063600 -13.7733 -31.9948 15.7955 -31.9948 40.7459 -61.9688 15.7954 -61.9688 -44.8811 GPRESSAVG: 3063600 -12.7947 -32.287 14.9159 -31.187 40.2022 -63.9893 15.2005 -61.6308 -45.2417 TIMING: 3063600 CPU: 9226.37, 0.00302594/step Wall: 9226.37, 0.00302594/step, 1.62762 hours remaining, 209.535156 MB of memory in use. ENERGY: 3063600 754.6204 2029.6156 1918.0964 118.9428 -206413.6692 17669.1812 0.0000 0.0000 34482.3218 -149440.8911 301.1427 -183923.2128 -149345.1809 298.9574 -235.1157 -204.0488 556794.3886 -5.9695 -5.9447 PRESSURE: 3063800 -159.568 126.151 33.745 126.15 -65.0927 -35.3079 33.7451 -35.3078 -160.652 GPRESSURE: 3063800 -153.084 167.919 58.8458 44.7916 -5.22807 -27.4919 33.8647 -106.987 -121.487 PRESSAVG: 3063800 12.3611 -7.44375 30.3337 -7.44383 -10.7499 -5.45826 30.3337 -5.45822 15.1339 GPRESSAVG: 3063800 11.2137 -5.76077 29.7877 -8.77737 -9.74873 -3.6711 31.7395 -6.45394 15.3426 TIMING: 3063800 CPU: 9226.98, 0.00304892/step Wall: 9226.98, 0.00304892/step, 1.63981 hours remaining, 209.535156 MB of memory in use. ENERGY: 3063800 698.4028 2097.9473 1927.2757 103.0107 -205996.4651 17548.6876 0.0000 0.0000 34055.2641 -149565.8770 297.4131 -183621.1411 -149468.1066 298.9073 -128.4377 -93.2661 558217.8834 5.5817 5.6025 PRESSURE: 3064000 384.953 -5.15577 206.546 -5.15444 122.934 -82.4324 206.547 -82.4325 294.126 GPRESSURE: 3064000 447.848 -15.5963 177.033 -64.5565 168.083 -112.537 244.446 -31.9019 289.453 PRESSAVG: 3064000 25.0875 -50.9803 21.5189 -50.9802 -9.42531 -37.2984 21.5188 -37.2984 -30.7527 GPRESSAVG: 3064000 27.4396 -51.1254 20.5576 -50.3791 -10.1775 -37.8953 21.4825 -37.6279 -31.8598 TIMING: 3064000 CPU: 9227.58, 0.00299736/step Wall: 9227.58, 0.00299736/step, 1.61191 hours remaining, 209.535156 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: 3064000 708.3572 2048.2068 1926.0889 101.8223 -206570.6597 18076.3349 0.0000 0.0000 34466.1204 -149243.7292 301.0012 -183709.8496 -149153.5578 299.1849 267.3376 301.7949 555960.4906 -5.0302 -4.8659 PRESSURE: 3064200 -304.331 82.5796 61.5966 82.5794 -64.9416 100.193 61.5967 100.192 -341.434 GPRESSURE: 3064200 -274.203 44.9988 28.2476 112.267 -72.8743 -29.0109 50.6502 53.8725 -278.274 PRESSAVG: 3064200 47.0903 0.93792 -5.38844 0.937896 -18.0562 41.0559 -5.38846 41.056 -31.3469 GPRESSAVG: 3064200 46.8572 0.524982 -3.78544 0.642775 -18.6827 41.2335 -9.7576 41.693 -30.7677 TIMING: 3064200 CPU: 9228.18, 0.00301525/step Wall: 9228.18, 0.00301525/step, 1.62137 hours remaining, 209.535156 MB of memory in use. ENERGY: 3064200 759.1127 2080.0699 1955.7484 104.2485 -205828.0513 17476.3644 0.0000 0.0000 34270.0391 -149182.4683 299.2888 -183452.5074 -149082.5439 299.9881 -236.9020 -208.4505 557727.3001 -0.7709 -0.8644 LDB: ============= START OF LOAD BALANCING ============== 9231.7 LDB: ============== END OF LOAD BALANCING =============== 9231.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9231.7 LDB: ============= START OF LOAD BALANCING ============== 9232.01 LDB: Largest compute 4774 load 0.028037 is 23.7% of average load 0.118083 LDB: Average compute 0.001740 is 1.5% of average load 0.118083 LDB: TIME 9232.01 LOAD: AVG 0.118083 MAX 0.208885 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.488 MB LDB: TIME 9232.01 LOAD: AVG 0.118083 MAX 0.208885 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.559 MB LDB: TIME 9232.01 LOAD: AVG 0.118083 MAX 0.208885 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.559 MB LDB: ============== END OF LOAD BALANCING =============== 9232.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9232.01 PRESSURE: 3064400 120.242 85.3682 1.90334 85.3681 120.102 42.9887 1.90374 42.9878 -126.866 GPRESSURE: 3064400 143.904 43.2157 28.3805 114.54 133.58 -15.6996 5.56514 99.7809 -65.8467 PRESSAVG: 3064400 33.8241 30.9196 40.7313 30.9195 77.982 22.1698 40.7313 22.1697 -155.414 GPRESSAVG: 3064400 32.2308 32.0847 40.2561 29.7178 78.4628 21.7449 44.4495 22.2118 -153.983 TIMING: 3064400 CPU: 9228.8, 0.00307205/step Wall: 9228.8, 0.00307205/step, 1.65174 hours remaining, 209.199219 MB of memory in use. ENERGY: 3064400 727.1971 2122.5179 1939.7564 108.9700 -206060.1055 17775.4021 0.0000 0.0000 34154.9267 -149231.3353 298.2835 -183386.2620 -149137.8723 299.5402 37.8261 70.5456 558006.4944 -14.5360 -14.4297 PRESSURE: 3064600 -342.233 17.6698 57.4117 17.6692 -166.606 78.1872 57.4117 78.1876 187.619 GPRESSURE: 3064600 -350.874 8.01802 84.2677 -92.4824 -100.171 38.536 14.1765 105.996 221.283 PRESSAVG: 3064600 -51.6758 3.73601 4.24084 3.73596 17.4963 20.3254 4.2409 20.3254 -30.6189 GPRESSAVG: 3064600 -51.0797 1.57425 4.57097 4.70791 16.9567 17.54 4.15105 21.5521 -30.2454 TIMING: 3064600 CPU: 9229.39, 0.00297682/step Wall: 9229.39, 0.00297682/step, 1.60037 hours remaining, 209.402344 MB of memory in use. ENERGY: 3064600 738.5027 2051.2875 1957.6484 106.3629 -206057.1769 17680.4350 0.0000 0.0000 34160.4071 -149362.5333 298.3313 -183522.9404 -149264.6978 298.9852 -107.0733 -76.5874 559517.0463 -21.5995 -21.4562 PRESSURE: 3064800 123.419 11.9357 -61.9597 11.9365 -5.82227 31.176 -61.96 31.1763 -31.5173 GPRESSURE: 3064800 148.278 94.5909 -142.596 -59.8567 81.5853 18.0707 -34.2777 56.9997 -45.0748 PRESSAVG: 3064800 -74.0361 9.744 41.4448 9.74402 10.9291 11.7776 41.4448 11.7775 49.5291 GPRESSAVG: 3064800 -74.8268 10.9586 41.0801 9.97009 12.0701 11.6991 40.7666 11.4045 48.9315 TIMING: 3064800 CPU: 9229.99, 0.00296565/step Wall: 9229.99, 0.00296565/step, 1.5942 hours remaining, 209.402344 MB of memory in use. ENERGY: 3064800 738.1419 2076.3668 1954.2459 123.9133 -206569.1258 18047.3681 0.0000 0.0000 34046.7928 -149582.2970 297.3391 -183629.0898 -149490.1884 297.8124 28.6931 61.5962 557878.5831 -4.5260 -4.6084 PRESSURE: 3065000 -33.5255 11.7593 -130.029 11.7593 -123.12 78.2821 -130.028 78.2798 -132.23 GPRESSURE: 3065000 26.0388 -58.7265 -163.492 -53.5943 -121.533 6.98029 -115.189 62.8984 -106.611 PRESSAVG: 3065000 -28.3246 -87.0498 -58.2511 -87.0498 2.85678 28.4008 -58.2511 28.4006 16.8041 GPRESSAVG: 3065000 -27.8393 -88.8047 -58.0442 -85.6136 3.36048 29.5913 -59.7707 27.8155 15.804 TIMING: 3065000 CPU: 9230.59, 0.00301242/step Wall: 9230.59, 0.00301242/step, 1.61918 hours remaining, 209.402344 MB of memory in use. ENERGY: 3065000 764.4113 2005.6739 1946.2467 117.7780 -205776.8300 17621.0441 0.0000 0.0000 34028.0821 -149293.5939 297.1757 -183321.6760 -149201.1738 298.1365 -96.2920 -67.3682 558806.0799 -2.8879 -2.8916 PRESSURE: 3065200 -227.193 -84.5708 -73.1024 -84.5702 -0.603045 109.173 -73.1029 109.173 169.188 GPRESSURE: 3065200 -166.596 -60.4123 -84.4972 21.1323 20.0483 129.231 -108.612 173.043 183.375 PRESSAVG: 3065200 -36.2714 -14.3442 2.68854 -14.3442 -27.6568 25.5341 2.68852 25.5341 50.5858 GPRESSAVG: 3065200 -35.1371 -9.54348 1.29518 -16.8046 -29.235 25.6439 5.45771 25.8673 51.5846 TIMING: 3065200 CPU: 9231.19, 0.00298354/step Wall: 9231.19, 0.00298354/step, 1.60349 hours remaining, 209.402344 MB of memory in use. ENERGY: 3065200 766.3300 2070.2564 1925.8623 117.2201 -206174.9504 17857.1301 0.0000 0.0000 34077.5542 -149360.5973 297.6078 -183438.1515 -149262.1247 298.1599 -19.5361 12.2757 557988.8301 -4.4475 -4.2625 PRESSURE: 3065400 -14.9703 179.915 21.4441 179.917 -58.8339 44.6257 21.4443 44.6257 205.82 GPRESSURE: 3065400 -2.68705 186.063 -32.4642 155.128 -12.1884 89.8507 85.0213 26.7338 235.344 PRESSAVG: 3065400 18.6123 12.6052 59.3598 12.6053 -53.8364 2.79711 59.3598 2.7972 44.4231 GPRESSAVG: 3065400 18.5023 9.26004 60.6587 13.6602 -53.2466 3.70602 58.0216 1.90559 44.2668 TIMING: 3065400 CPU: 9231.78, 0.0029863/step Wall: 9231.78, 0.0029863/step, 1.6048 hours remaining, 209.402344 MB of memory in use. ENERGY: 3065400 705.6339 2101.5399 1959.5117 116.1381 -206253.9385 17834.4205 0.0000 0.0000 34204.7981 -149331.8963 298.7190 -183536.6944 -149232.0334 299.2547 44.0053 73.4896 556276.5492 3.0664 3.1742 PRESSURE: 3065600 -309.635 34.1786 56.8822 34.1781 131.199 -22.284 56.8825 -22.2843 23.9841 GPRESSURE: 3065600 -311.816 107.009 35.6168 -66.9293 146.524 -9.11224 114.64 -14.686 105.45 PRESSAVG: 3065600 -2.8356 34.0716 -2.41063 34.0716 -22.5358 -50.4026 -2.4105 -50.4025 32.6396 GPRESSAVG: 3065600 -2.99537 33.2369 -2.88209 34.9518 -21.9817 -50.7023 -3.49627 -48.7992 32.5966 TIMING: 3065600 CPU: 9232.38, 0.00298766/step Wall: 9232.38, 0.00298766/step, 1.60537 hours remaining, 209.402344 MB of memory in use. ENERGY: 3065600 761.6045 2055.2105 1933.6815 137.2011 -206362.2970 17871.1274 0.0000 0.0000 34062.3655 -149541.1065 297.4751 -183603.4720 -149448.3160 298.8536 -51.4840 -19.9472 558109.0503 2.4227 2.5399 PRESSURE: 3065800 -37.4578 72.2757 -18.0537 72.2749 366.698 83.6135 -18.0531 83.6143 -89.9702 GPRESSURE: 3065800 51.5331 71.663 -6.39496 22.2026 344.709 -0.409329 2.2974 148.386 -62.53 PRESSAVG: 3065800 -21.7682 -46.1119 -61.6237 -46.112 76.8905 -12.0841 -61.6237 -12.0841 -8.45571 GPRESSAVG: 3065800 -22.5276 -46.4487 -62.1204 -44.5661 77.5957 -11.5606 -59.284 -12.5782 -8.64641 TIMING: 3065800 CPU: 9232.98, 0.00301101/step Wall: 9232.98, 0.00301101/step, 1.61775 hours remaining, 209.402344 MB of memory in use. ENERGY: 3065800 772.5898 2122.7941 1927.5436 111.7581 -206558.6233 17906.3669 0.0000 0.0000 34108.4673 -149609.1035 297.8777 -183717.5707 -149514.7862 298.7564 79.7566 111.2374 555935.8919 15.5555 15.4739 PRESSURE: 3066000 295.179 -134.409 -100.947 -134.408 -140.203 -74.3147 -100.947 -74.3157 41.7128 GPRESSURE: 3066000 336.197 -187.033 -114.346 -68.5357 -48.2279 -79.3033 -167.614 -58.9048 -1.78729 PRESSAVG: 3066000 -3.43496 -57.2208 -8.41852 -57.2208 35.7423 21.9588 -8.41845 21.9588 -25.2415 GPRESSAVG: 3066000 -2.25996 -57.5538 -7.2215 -59.2886 34.5542 23.6102 -10.0409 21.6202 -25.0776 TIMING: 3066000 CPU: 9233.59, 0.00303154/step Wall: 9233.59, 0.00303154/step, 1.62861 hours remaining, 209.402344 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: 3066000 764.2359 2093.7259 1957.7110 109.9043 -206738.2433 17901.8692 0.0000 0.0000 34266.8613 -149643.9356 299.2610 -183910.7969 -149550.1426 298.3228 65.5628 95.3938 555190.8037 2.3553 2.4056 PRESSURE: 3066200 14.1963 -240.263 -30.0069 -240.263 258.437 -52.3622 -30.0076 -52.3611 -30.7264 GPRESSURE: 3066200 3.60542 -217.563 -82.7035 -205.15 246.776 -112.242 -37.3759 12.8392 81.707 PRESSAVG: 3066200 8.21953 -42.405 -37.9368 -42.405 -12.6541 30.4718 -37.9367 30.4716 -17.9155 GPRESSAVG: 3066200 7.60811 -41.272 -38.5605 -42.0594 -11.567 28.7418 -37.5906 30.1907 -18.6115 TIMING: 3066200 CPU: 9234.19, 0.00302438/step Wall: 9234.19, 0.00302438/step, 1.6246 hours remaining, 209.402344 MB of memory in use. ENERGY: 3066200 767.0609 2126.0202 1927.0161 111.5582 -206293.5469 17846.2856 0.0000 0.0000 34017.8888 -149497.7171 297.0867 -183515.6059 -149405.2715 298.0367 80.6356 110.6960 556399.2744 -7.4500 -7.5235 PRESSURE: 3066400 -181.045 71.4191 84.4312 71.419 -15.5636 42.4833 84.4314 42.4848 -311.943 GPRESSURE: 3066400 -164.099 -11.4104 89.7901 119.836 13.463 76.9204 83.1872 30.9162 -265.05 PRESSAVG: 3066400 -13.8065 -48.1803 -37.3359 -48.1804 70.7796 42.4501 -37.3359 42.4501 -52.8729 GPRESSAVG: 3066400 -14.8419 -48.2637 -37.8626 -48.0244 71.4664 43.3994 -36.5815 41.0455 -52.9763 TIMING: 3066400 CPU: 9234.8, 0.00303193/step Wall: 9234.8, 0.00303193/step, 1.62849 hours remaining, 209.402344 MB of memory in use. ENERGY: 3066400 756.6105 2182.7007 1927.5055 105.2665 -206592.1321 17754.4650 0.0000 0.0000 34279.0828 -149586.5011 299.3678 -183865.5839 -149493.9306 297.9031 -169.5172 -138.5619 558473.4452 1.3667 1.2161 PRESSURE: 3066600 -313.837 -171.297 78.4377 -171.298 -180.611 168.58 78.4384 168.58 -315.858 GPRESSURE: 3066600 -334.866 -106.57 145.182 -160.914 -164.468 62.5423 17.5265 229.153 -215.524 PRESSAVG: 3066600 50.911 20.0256 35.7855 20.0256 -19.551 -15.6182 35.7855 -15.6183 -17.9617 GPRESSAVG: 3066600 52.079 21.8196 34.5676 19.6826 -20.3776 -12.4298 35.1687 -15.8 -18.5735 TIMING: 3066600 CPU: 9235.4, 0.00298851/step Wall: 9235.4, 0.00298851/step, 1.605 hours remaining, 209.402344 MB of memory in use. ENERGY: 3066600 777.1145 2112.3053 1969.9675 108.9585 -206118.8661 17441.2063 0.0000 0.0000 34161.8682 -149547.4458 298.3441 -183709.3140 -149454.9788 298.3064 -270.1017 -238.2862 557085.7773 4.4661 4.3760 PRESSURE: 3066800 13.6269 -177.178 38.6436 -177.178 -113.196 -11.1376 38.6441 -11.1379 342.48 GPRESSURE: 3066800 129.947 -147.295 21.7964 -250.47 -93.5662 -40.6865 28.5021 9.48762 290.767 PRESSAVG: 3066800 1.61203 49.9897 -34.0728 49.9897 -44.6484 6.84554 -34.0728 6.84555 53.9135 GPRESSAVG: 3066800 1.17819 49.3131 -31.7559 49.7289 -44.8005 3.75773 -34.5812 8.84625 54.3592 TIMING: 3066800 CPU: 9236, 0.00300983/step Wall: 9236, 0.00300983/step, 1.61628 hours remaining, 209.402344 MB of memory in use. ENERGY: 3066800 718.3689 2111.8768 1977.7012 125.0168 -206871.2225 18053.1448 0.0000 0.0000 34376.8437 -149508.2705 300.2215 -183885.1141 -149407.0753 298.8983 80.9706 109.0492 555991.5383 3.6257 3.5790 PRESSURE: 3067000 -35.1373 -73.7095 -74.7389 -73.71 -0.125443 -13.887 -74.739 -13.8866 105.741 GPRESSURE: 3067000 29.2584 -92.9093 -111.4 -97.2748 22.1125 -3.61962 -132.834 -32.5446 111.13 PRESSAVG: 3067000 46.8609 -10.0664 0.633426 -10.0664 -26.5061 23.3764 0.633488 23.3763 -19.8095 GPRESSAVG: 3067000 46.4758 -12.835 -1.06614 -9.39285 -25.7992 23.6323 0.536008 23.2051 -19.8318 TIMING: 3067000 CPU: 9236.6, 0.00301081/step Wall: 9236.6, 0.00301081/step, 1.61664 hours remaining, 209.402344 MB of memory in use. ENERGY: 3067000 744.0768 2116.5078 1957.4392 107.3048 -206561.2183 17970.3306 0.0000 0.0000 34079.7123 -149585.8468 297.6266 -183665.5591 -149488.8837 299.0694 23.4927 54.1668 556502.6177 0.1818 0.2816 PRESSURE: 3067200 -0.0406061 25.9787 47.4964 25.9786 -10.0151 -19.3551 47.4973 -19.3537 114.033 GPRESSURE: 3067200 9.81966 44.8222 29.6728 -17.3492 42.7324 -30.6726 55.76 -23.5334 136.35 PRESSAVG: 3067200 -16.7241 -37.5897 -23.3876 -37.5897 -28.3915 33.8033 -23.3876 33.8034 10.1229 GPRESSAVG: 3067200 -15.4592 -35.0217 -23.6074 -39.8648 -28.9527 31.7713 -23.8 35.5068 8.90408 TIMING: 3067200 CPU: 9237.2, 0.0030022/step Wall: 9237.2, 0.0030022/step, 1.61185 hours remaining, 209.402344 MB of memory in use. ENERGY: 3067200 746.7941 2115.7415 1943.7915 109.8832 -206672.3896 18067.9898 0.0000 0.0000 34245.0980 -149443.0914 299.0710 -183688.1895 -149342.8484 298.7098 34.6590 62.9672 557082.8047 -11.6642 -11.8359 PRESSURE: 3067400 357.584 110.513 76.9194 110.513 -22.4004 81.0828 76.9197 81.0834 89.9956 GPRESSURE: 3067400 373.066 84.0064 64.5111 130.834 31.5581 75.9647 40.3697 119.947 114.144 PRESSAVG: 3067400 43.8955 21.672 60.9636 21.6719 73.2304 2.30847 60.9636 2.30834 -36.1762 GPRESSAVG: 3067400 43.3568 21.9156 63.1183 21.251 72.8131 3.50248 62.4277 2.32006 -34.7577 TIMING: 3067400 CPU: 9237.8, 0.00298435/step Wall: 9237.8, 0.00298436/step, 1.6021 hours remaining, 209.402344 MB of memory in use. ENERGY: 3067400 740.3179 2116.6186 1938.9338 113.4673 -206771.9671 18128.9713 0.0000 0.0000 34432.5643 -149301.0939 300.7081 -183733.6582 -149204.6767 299.2789 141.7263 172.9226 555876.9418 26.9832 27.1374 PRESSURE: 3067600 84.4167 -119.438 -8.38448 -119.437 -205.715 -38.6959 -8.38392 -38.696 163.635 GPRESSURE: 3067600 101.35 -69.5934 -41.1568 -140.845 -147.377 -26.4645 -1.31821 -10.8039 173.976 PRESSAVG: 3067600 47.4463 -72.7138 -20.6105 -72.7138 -12.7325 34.6034 -20.6105 34.6034 -3.75788 GPRESSAVG: 3067600 48.0023 -75.0755 -22.0029 -71.2694 -12.2794 33.5584 -20.107 34.399 -4.99744 TIMING: 3067600 CPU: 9238.39, 0.00296144/step Wall: 9238.39, 0.00296143/step, 1.58963 hours remaining, 209.402344 MB of memory in use. ENERGY: 3067600 699.7954 2139.3167 1934.4638 118.0966 -206069.4824 17678.1229 0.0000 0.0000 34199.3589 -149300.3282 298.6715 -183499.6871 -149205.0726 299.7807 14.1122 42.6497 557110.0837 10.3186 10.2418 PRESSURE: 3067800 67.9799 4.74071 -217.626 4.7406 352.453 122.313 -217.626 122.311 14.6511 GPRESSURE: 3067800 91.3522 41.8388 -219.117 -109.7 348.511 91.426 -213.44 165.364 84.2472 PRESSAVG: 3067800 52.1859 -0.30876 -30.4108 -0.308741 -10.9484 42.7167 -30.4108 42.7167 -67.7793 GPRESSAVG: 3067800 51.6116 -1.88007 -29.5267 2.23609 -10.9281 41.6778 -32.1761 42.5707 -67.4493 TIMING: 3067800 CPU: 9238.98, 0.00294978/step Wall: 9238.98, 0.00294978/step, 1.58321 hours remaining, 209.402344 MB of memory in use. ENERGY: 3067800 746.6297 2040.9538 1929.7190 106.7065 -206462.0375 18163.9006 0.0000 0.0000 34175.9844 -149298.1435 298.4674 -183474.1279 -149195.8359 298.9890 145.0280 174.7036 558209.6606 -8.8473 -8.9219 PRESSURE: 3068000 -168.925 -110.894 183.597 -110.893 -35.8241 -164.212 183.596 -164.212 266.667 GPRESSURE: 3068000 -131.55 -108.989 212.191 -97.6575 38.3636 -183.127 152.315 -84.9031 250.127 PRESSAVG: 3068000 49.7082 -8.70837 -2.68212 -8.70846 -71.4428 13.4863 -2.6821 13.4863 19.6404 GPRESSAVG: 3068000 51.5897 -5.61046 -2.623 -10.568 -72.2681 14.5452 -1.98748 13.4676 19.0449 TIMING: 3068000 CPU: 9239.58, 0.0030051/step Wall: 9239.58, 0.0030051/step, 1.61274 hours remaining, 209.402344 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: 3068000 756.5889 2035.8609 1922.4994 101.5113 -206422.0349 17993.3160 0.0000 0.0000 34065.5590 -149546.6993 297.5030 -183612.2583 -149450.2415 298.2081 20.6393 52.3134 558627.0512 -0.6981 -0.5445 PRESSURE: 3068200 173.447 17.2096 -40.4339 17.2099 140.907 19.4215 -40.4341 19.4193 -70.2343 GPRESSURE: 3068200 167.784 29.5872 16.3801 75.3474 143.659 45.4928 -184.794 -9.43905 24.6301 PRESSAVG: 3068200 21.5777 5.40802 32.6916 5.40798 -22.6923 9.04623 32.6916 9.04624 6.32093 GPRESSAVG: 3068200 20.7984 6.15621 32.2764 4.63574 -23.2697 9.05943 33.5332 7.21441 7.88963 TIMING: 3068200 CPU: 9240.18, 0.00300118/step Wall: 9240.18, 0.00300118/step, 1.61047 hours remaining, 209.402344 MB of memory in use. ENERGY: 3068200 720.1693 2094.1938 1984.1069 110.9538 -206214.3036 17892.0716 0.0000 0.0000 34158.2753 -149254.5330 298.3127 -183412.8083 -149162.4641 298.8699 81.3734 112.0244 557768.1102 1.7355 1.8061 LDB: ============= START OF LOAD BALANCING ============== 9243.7 LDB: ============== END OF LOAD BALANCING =============== 9243.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9243.7 LDB: ============= START OF LOAD BALANCING ============== 9244 LDB: Largest compute 4774 load 0.027072 is 22.9% of average load 0.118085 LDB: Average compute 0.001735 is 1.5% of average load 0.118085 LDB: TIME 9244 LOAD: AVG 0.118085 MAX 0.207572 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.066 MB LDB: TIME 9244 LOAD: AVG 0.118085 MAX 0.207572 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.066 MB LDB: TIME 9244 LOAD: AVG 0.118085 MAX 0.207572 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.066 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9244 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9244.01 PRESSURE: 3068400 22.1873 26.6088 -77.3032 26.609 49.0354 -105.388 -77.3043 -105.388 13.5295 GPRESSURE: 3068400 32.4973 10.9873 -66.0868 -22.0867 96.3954 -55.086 -24.0066 -165.597 39.7233 PRESSAVG: 3068400 -44.1208 -46.2355 5.61075 -46.2355 -32.4144 -4.82722 5.61075 -4.82738 56.4038 GPRESSAVG: 3068400 -45.7213 -46.8119 5.76167 -46.3496 -32.084 -5.63045 5.27688 -3.87457 57.1811 TIMING: 3068400 CPU: 9240.79, 0.00304393/step Wall: 9240.79, 0.00304393/step, 1.63324 hours remaining, 209.453125 MB of memory in use. ENERGY: 3068400 737.8676 2118.7652 1939.0888 108.1261 -206157.2606 17840.5252 0.0000 0.0000 34080.0760 -149332.8116 297.6298 -183412.8876 -149235.8100 299.1727 28.2507 56.2054 558540.8460 -6.7105 -6.8747 PRESSURE: 3068600 -137.977 -101.222 -84.7077 -101.222 90.5107 -61.931 -84.7089 -61.9323 36.2876 GPRESSURE: 3068600 -141.948 -127.421 -113.2 -111.673 160.697 -4.22993 66.8839 -33.2402 65.7402 PRESSAVG: 3068600 -58.0822 -43.2903 35.604 -43.2904 20.8837 -42.01 35.6039 -42.0099 20.1303 GPRESSAVG: 3068600 -56.9059 -43.9571 37.5151 -44.3362 20.5815 -41.2501 34.1822 -41.2595 19.25 TIMING: 3068600 CPU: 9241.39, 0.00299466/step Wall: 9241.39, 0.00299466/step, 1.60663 hours remaining, 209.656250 MB of memory in use. ENERGY: 3068600 779.9282 2101.6835 1937.0950 117.7573 -206449.2937 17889.3475 0.0000 0.0000 34232.0892 -149391.3929 298.9573 -183623.4822 -149301.1749 299.7038 -3.7261 28.1631 556979.5342 -5.6894 -5.6915 PRESSURE: 3068800 57.44 55.3306 -91.9893 55.3326 -79.2644 -2.52074 -91.9887 -2.5198 -280.01 GPRESSURE: 3068800 91.5598 63.5309 -31.4657 115.097 -42.2603 37.1179 22.0808 -11.9167 -263.887 PRESSAVG: 3068800 -40.8971 -58.3134 1.40814 -58.3134 45.4941 -16.283 1.40804 -16.2831 -32.6986 GPRESSAVG: 3068800 -41.8693 -57.4227 -0.926602 -57.489 46.2214 -17.0479 3.44744 -16.0055 -32.8054 TIMING: 3068800 CPU: 9242, 0.00302247/step Wall: 9242, 0.00302247/step, 1.62139 hours remaining, 209.656250 MB of memory in use. ENERGY: 3068800 760.4408 2147.5059 1936.0754 112.0980 -206120.9159 17723.6371 0.0000 0.0000 33914.7893 -149526.3694 296.1863 -183441.1587 -149428.6463 298.7046 -100.6115 -71.5291 558732.2882 -9.3672 -9.4845 PRESSURE: 3069000 141.76 -39.7846 71.3843 -39.7842 124.766 -32.9589 71.3853 -32.9572 -56.4912 GPRESSURE: 3069000 126.574 66.6205 132.984 -129.418 153.154 -51.5339 0.0395602 -93.1603 8.2249 PRESSAVG: 3069000 -7.44807 -40.8055 23.2792 -40.8054 105.87 -60.6298 23.2792 -60.6297 -67.5234 GPRESSAVG: 3069000 -6.42318 -42.4528 23.4909 -41.2883 104.598 -60.7702 21.3067 -62.1341 -67.4952 TIMING: 3069000 CPU: 9242.6, 0.0030279/step Wall: 9242.6, 0.0030279/step, 1.62413 hours remaining, 209.656250 MB of memory in use. ENERGY: 3069000 777.3625 2163.8628 1937.7119 123.5646 -207046.7043 18187.9697 0.0000 0.0000 34326.8628 -149529.3700 299.7850 -183856.2327 -149439.5018 298.3338 70.0117 95.9845 556394.8598 10.2995 10.2267 PRESSURE: 3069200 186.899 -46.6108 -15.0518 -46.6116 166.648 -94.3142 -15.0527 -94.314 358.598 GPRESSURE: 3069200 230.681 -68.131 -12.2936 -8.05107 237.513 -28.1069 63.2715 -46.1734 332.907 PRESSAVG: 3069200 -47.1268 -28.0988 20.9406 -28.0989 -12.2554 -3.08723 20.9406 -3.08724 12.3278 GPRESSAVG: 3069200 -46.1678 -25.3517 21.5391 -27.7292 -11.1822 -2.74546 19.9268 -1.84792 10.8911 TIMING: 3069200 CPU: 9243.21, 0.00304758/step Wall: 9243.21, 0.00304758/step, 1.63452 hours remaining, 209.656250 MB of memory in use. ENERGY: 3069200 715.3960 2107.0986 1954.7890 120.0659 -206391.2796 17981.5936 0.0000 0.0000 34119.3573 -149392.9792 297.9728 -183512.3365 -149298.4898 298.4755 237.3816 267.0335 556277.5065 -15.6848 -15.4863 PRESSURE: 3069400 -107.897 40.8218 65.1512 40.8222 130.326 -42.0294 65.1513 -42.0285 -43.6171 GPRESSURE: 3069400 -89.3874 28.2669 11.4732 12.85 160.321 -21.505 -6.9452 -59.6366 -6.98607 PRESSAVG: 3069400 -3.99136 16.3571 17.8821 16.357 11.6346 -59.0003 17.8822 -59.0003 -6.30371 GPRESSAVG: 3069400 -4.75578 13.131 17.3179 17.1841 11.1211 -56.9872 18.5929 -59.8368 -5.86201 TIMING: 3069400 CPU: 9243.81, 0.00301003/step Wall: 9243.81, 0.00301003/step, 1.61421 hours remaining, 209.656250 MB of memory in use. ENERGY: 3069400 776.6542 2096.2346 1953.7062 124.8273 -206388.5918 17926.6600 0.0000 0.0000 34015.1053 -149495.4042 297.0624 -183510.5095 -149387.6373 298.3097 -7.0627 21.3159 555623.6505 0.4465 0.1678 PRESSURE: 3069600 -38.5283 31.755 -41.1722 31.7542 -166.68 -187.314 -41.1729 -187.312 -154.732 GPRESSURE: 3069600 -19.7402 108.348 -134.749 22.4285 -182.74 -153.556 36.8656 -220.65 -66.5555 PRESSAVG: 3069600 -30.2294 -15.4219 13.1717 -15.4219 39.3706 -11.9393 13.1717 -11.9393 -21.9073 GPRESSAVG: 3069600 -30.7014 -14.4897 13.5182 -16.1763 40.1131 -11.6923 12.3568 -9.55747 -22.2109 TIMING: 3069600 CPU: 9244.41, 0.00299902/step Wall: 9244.41, 0.00299902/step, 1.60814 hours remaining, 209.656250 MB of memory in use. ENERGY: 3069600 757.8585 2102.8701 1947.9934 111.0009 -206449.7353 17666.5722 0.0000 0.0000 34276.7903 -149586.6500 299.3477 -183863.4403 -149489.4825 298.9907 -119.9800 -89.6785 555756.2392 -4.2554 -4.2664 PRESSURE: 3069800 44.0871 39.9232 79.6247 39.9227 -140.906 41.3423 79.6245 41.3429 15.862 GPRESSURE: 3069800 130.09 18.9492 107.127 6.75488 -115.97 115.891 36.0832 42.5432 6.73595 PRESSAVG: 3069800 -31.3515 25.0812 53.0481 25.0812 37.9175 -1.62495 53.0481 -1.6249 5.21751 GPRESSAVG: 3069800 -31.5697 25.6994 52.7678 25.9935 37.5148 -1.80183 53.6544 -3.95929 5.94711 TIMING: 3069800 CPU: 9245.01, 0.00297858/step Wall: 9245.01, 0.00297858/step, 1.59702 hours remaining, 209.656250 MB of memory in use. ENERGY: 3069800 707.9553 2051.9243 1975.9137 109.1186 -206505.8302 17778.4478 0.0000 0.0000 34278.0222 -149604.4483 299.3585 -183882.4706 -149512.0011 298.9312 -26.9857 6.9518 557387.6653 3.9278 3.9641 PRESSURE: 3070000 217.533 -99.0235 -24.7025 -99.0228 -119.872 15.0352 -24.7034 15.0353 -132.966 GPRESSURE: 3070000 243.655 -149.635 51.3812 -66.2407 -92.9427 91.9411 -64.5976 19.0674 -72.2756 PRESSAVG: 3070000 42.4281 50.12 47.6212 50.12 28.6706 13.9298 47.6211 13.9298 -36.5109 GPRESSAVG: 3070000 42.4137 49.1539 47.3191 49.0524 29.7822 14.3745 47.5089 13.464 -37.2508 TIMING: 3070000 CPU: 9245.62, 0.00304227/step Wall: 9245.62, 0.00304227/step, 1.63099 hours remaining, 209.656250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3070000 723.0545 2078.4798 1958.6847 128.3159 -206218.5680 17684.2204 0.0000 0.0000 34108.4501 -149537.3625 297.8776 -183645.8126 -149442.4324 298.6842 -11.7683 26.1456 556250.8312 11.5293 11.6483 PRESSURE: 3070200 121.065 125.669 9.6804 125.668 -74.1514 -76.5162 9.68032 -76.5152 63.7197 GPRESSURE: 3070200 130.673 184.752 89.7195 92.9837 -100.004 -13.8494 -73.1036 -57.6975 173.786 PRESSAVG: 3070200 79.5828 -3.23885 10.3456 -3.23894 -33.717 38.2706 10.3455 38.2706 -92.1998 GPRESSAVG: 3070200 79.246 -3.90184 10.0208 -2.50576 -34.946 38.3907 9.57976 38.7676 -90.7506 TIMING: 3070200 CPU: 9246.22, 0.00300369/step Wall: 9246.22, 0.00300369/step, 1.61014 hours remaining, 209.656250 MB of memory in use. ENERGY: 3070200 763.2591 2070.5573 1935.6913 120.3299 -206409.5303 17905.1046 0.0000 0.0000 34166.6857 -149447.9025 298.3862 -183614.5882 -149349.9333 299.0772 36.8778 68.1515 556230.4270 -15.4447 -15.4835 PRESSURE: 3070400 -200.715 -70.0315 130.358 -70.0303 44.0418 101.596 130.359 101.597 -240.465 GPRESSURE: 3070400 -141.44 -60.1961 63.7655 -91.4075 68.6556 131.584 172.302 126.422 -221.048 PRESSAVG: 3070400 -44.5284 9.2305 12.4468 9.23048 71.3384 6.23403 12.4468 6.23399 -6.75453 GPRESSAVG: 3070400 -43.6125 11.053 12.3416 6.80331 72.6015 5.08661 14.5985 6.30476 -8.38375 TIMING: 3070400 CPU: 9246.81, 0.00298357/step Wall: 9246.81, 0.00298357/step, 1.59919 hours remaining, 209.656250 MB of memory in use. ENERGY: 3070400 753.6897 2090.6484 1918.5840 120.8259 -206169.3018 17758.3266 0.0000 0.0000 34171.5944 -149355.6329 298.4290 -183527.2272 -149256.8702 299.0981 -132.3795 -97.9439 557691.6238 6.6852 6.8684 PRESSURE: 3070600 -294.479 -87.7121 115.947 -87.7103 -204.19 -189.865 115.946 -189.865 4.21328 GPRESSURE: 3070600 -290.398 -147.999 141.75 -150.369 -131.194 -162.674 58.7397 -151.383 37.506 PRESSAVG: 3070600 -59.8535 -5.25458 -25.7145 -5.25458 24.2699 12.312 -25.7145 12.312 38.5453 GPRESSAVG: 3070600 -59.8277 -7.08964 -26.6999 -1.16287 23.3261 11.9881 -25.7225 11.7112 38.8159 TIMING: 3070600 CPU: 9247.41, 0.00298248/step Wall: 9247.41, 0.00298248/step, 1.59844 hours remaining, 209.656250 MB of memory in use. ENERGY: 3070600 753.4062 2127.5584 1933.9881 96.0274 -206149.0563 17701.3976 0.0000 0.0000 34119.4676 -149417.2110 297.9738 -183536.6786 -149329.7748 298.5603 -164.8186 -128.0287 558083.2352 0.9872 0.7714 PRESSURE: 3070800 -126.573 -77.7119 90.0488 -77.7122 219.489 -23.8532 90.0474 -23.8523 279.179 GPRESSURE: 3070800 -109.057 -152.134 -2.49627 -35.4343 228.564 -7.73342 53.9774 -46.2542 348.887 PRESSAVG: 3070800 -63.1428 -45.3766 -41.1083 -45.3766 -19.489 -13.3844 -41.1084 -13.3844 113.392 GPRESSAVG: 3070800 -63.5468 -43.6897 -40.4954 -47.1553 -20.2333 -11.8966 -43.4358 -13.5287 114.405 TIMING: 3070800 CPU: 9248.01, 0.00297757/step Wall: 9248.01, 0.00297757/step, 1.59565 hours remaining, 209.656250 MB of memory in use. ENERGY: 3070800 735.5104 2124.8876 1950.8966 112.8948 -206490.7006 17996.5309 0.0000 0.0000 34136.9767 -149433.0037 298.1267 -183569.9803 -149331.5927 298.5842 124.0318 156.1314 557515.1173 10.2534 10.2085 PRESSURE: 3071000 136.994 192.96 -42.4463 192.96 40.7105 -186.875 -42.4468 -186.875 -21.7428 GPRESSURE: 3071000 204.426 225.482 -60.8094 180.633 55.7869 -180.986 44.0943 -214.565 2.56166 PRESSAVG: 3071000 11.0612 -3.73321 -11.0774 -3.73327 -62.7096 -6.38018 -11.0773 -6.3803 16.0707 GPRESSAVG: 3071000 11.2374 -3.52694 -11.2863 -4.27143 -62.4256 -6.88856 -8.61209 -5.10965 15.9274 TIMING: 3071000 CPU: 9248.61, 0.0029988/step Wall: 9248.61, 0.0029988/step, 1.60686 hours remaining, 209.656250 MB of memory in use. ENERGY: 3071000 776.8187 2098.7355 1939.3923 110.4980 -206481.4564 18115.4041 0.0000 0.0000 34053.6626 -149386.9453 297.3991 -183440.6079 -149301.3573 298.1676 51.9871 87.5915 557637.0213 -11.8592 -11.7536 PRESSURE: 3071200 -321.769 146.612 -68.6815 146.61 -122.329 -14.3148 -68.6815 -14.3146 -146.216 GPRESSURE: 3071200 -328.546 95.4119 -136.4 224.326 -16.074 65.9883 -35.8016 36.87 -142.684 PRESSAVG: 3071200 4.52411 -1.82247 -24.6878 -1.82249 73.8166 25.5665 -24.6879 25.5665 -44.6156 GPRESSAVG: 3071200 4.42335 -2.37789 -23.7807 -3.63894 74.8588 24.6465 -27.3436 26.5951 -45.8171 TIMING: 3071200 CPU: 9249.2, 0.00299264/step Wall: 9249.2, 0.00299264/step, 1.60339 hours remaining, 209.656250 MB of memory in use. ENERGY: 3071200 787.1344 2047.1909 1951.7483 110.4689 -206281.2344 17627.4211 0.0000 0.0000 34141.6875 -149615.5831 298.1678 -183757.2707 -149519.7977 298.7577 -196.7712 -162.4349 558818.3163 11.2417 11.1550 PRESSURE: 3071400 -78.2155 82.5889 81.2677 82.5877 -33.4189 161.749 81.2688 161.75 -487.155 GPRESSURE: 3071400 -85.1174 -15.2794 37.0227 48.1517 16.8081 164.775 145.47 227.693 -432.692 PRESSAVG: 3071400 -5.52754 -49.4009 90.6579 -49.4008 35.0626 32.3136 90.6579 32.3136 -51.2867 GPRESSAVG: 3071400 -5.17341 -47.883 89.596 -47.7987 34.7619 33.6641 92.7609 31.9021 -51.1892 TIMING: 3071400 CPU: 9249.8, 0.00299893/step Wall: 9249.8, 0.00299893/step, 1.60659 hours remaining, 209.714844 MB of memory in use. ENERGY: 3071400 780.5770 2092.2175 1943.6268 103.7038 -206053.3798 17566.4559 0.0000 0.0000 34118.9005 -149447.8983 297.9688 -183566.7988 -149353.7723 298.4038 -199.5965 -167.0003 558229.7518 -7.2505 -7.2003 PRESSURE: 3071600 41.6541 142.931 -64.3663 142.93 125.875 175.421 -64.3666 175.421 -82.0433 GPRESSURE: 3071600 91.8332 64.6147 -57.0262 78.2533 157.935 166.572 -35.6144 147.464 -69.3529 PRESSAVG: 3071600 2.70982 -49.4689 2.29003 -49.469 36.2527 81.2147 2.28998 81.2147 21.9062 GPRESSAVG: 3071600 2.09452 -50.0386 3.99735 -49.3931 35.3319 79.7369 2.44911 80.4319 22.9189 TIMING: 3071600 CPU: 9250.4, 0.00299515/step Wall: 9250.4, 0.00299515/step, 1.6044 hours remaining, 209.714844 MB of memory in use. ENERGY: 3071600 756.3365 2124.4178 1932.3228 120.2594 -206661.2798 17919.6699 0.0000 0.0000 34190.2193 -149618.0540 298.5917 -183808.2733 -149521.8654 298.1320 28.4952 60.1386 555310.6799 20.2896 20.1151 PRESSURE: 3071800 13.9772 33.7973 43.4464 33.7978 -118.297 -165.204 43.4452 -165.202 -167.939 GPRESSURE: 3071800 46.1114 6.64929 20.8913 74.7281 -90.4532 -208.122 -46.8587 -213.936 -137.24 PRESSAVG: 3071800 30.3632 -14.7188 14.6455 -14.7188 -6.13505 42.01 14.6454 42.0101 -12.7345 GPRESSAVG: 3071800 30.3566 -14.1043 13.6533 -13.8214 -5.19488 44.052 13.0836 42.5164 -13.5588 TIMING: 3071800 CPU: 9251, 0.00299532/step Wall: 9251, 0.00299532/step, 1.60433 hours remaining, 209.714844 MB of memory in use. ENERGY: 3071800 735.3016 2134.8178 1939.1360 122.1170 -206702.7774 17799.9110 0.0000 0.0000 34326.9986 -149644.4953 299.7862 -183971.4939 -149543.6058 297.8392 -90.7530 -60.5272 557141.1363 3.8312 3.8677 PRESSURE: 3072000 -126.257 23.9987 -127.697 23.9978 30.5295 -25.9174 -127.698 -25.9171 -176.014 GPRESSURE: 3072000 -90.6226 50.8128 -67.0847 -50.0657 45.8275 14.9984 -182.949 -56.3911 -122.958 PRESSAVG: 3072000 -8.63612 -54.8609 -63.1029 -54.8609 36.4581 31.9381 -63.1028 31.9382 -21.9049 GPRESSAVG: 3072000 -8.05652 -55.7814 -63.4084 -57.0085 36.0267 30.827 -61.3484 31.5052 -22.3453 TIMING: 3072000 CPU: 9251.6, 0.00300564/step Wall: 9251.6, 0.00300564/step, 1.60969 hours remaining, 209.714844 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: 3072000 763.3341 2115.4176 1917.9981 122.2672 -206363.5554 17750.7247 0.0000 0.0000 34188.6118 -149505.2018 298.5777 -183693.8136 -149406.2672 298.7268 -90.5804 -55.9176 558008.6480 1.9724 1.8749 PRESSURE: 3072200 -25.1337 -87.8469 77.5022 -87.8467 64.4521 130.868 77.5025 130.869 -415.967 GPRESSURE: 3072200 68.0473 -52.6018 60.3244 -77.8041 -9.2452 73.9508 157.617 68.9598 -339.094 PRESSAVG: 3072200 5.87537 -17.32 -17.4519 -17.32 61.4392 63.1508 -17.4517 63.1507 -27.6277 GPRESSAVG: 3072200 6.04309 -16.9288 -17.1774 -16.4322 60.8192 63.8003 -20.3907 61.2879 -27.4281 TIMING: 3072200 CPU: 9252.2, 0.00299863/step Wall: 9252.2, 0.00299863/step, 1.60577 hours remaining, 209.714844 MB of memory in use. ENERGY: 3072200 728.2481 2110.6968 1940.7039 112.6692 -205990.4246 17428.2647 0.0000 0.0000 34262.1439 -149407.6981 299.2198 -183669.8419 -149314.5085 298.6256 -125.5494 -93.4306 556720.3048 13.2290 13.1447 LDB: ============= START OF LOAD BALANCING ============== 9255.72 LDB: ============== END OF LOAD BALANCING =============== 9255.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9255.72 LDB: ============= START OF LOAD BALANCING ============== 9256.02 LDB: Largest compute 4774 load 0.030260 is 25.6% of average load 0.118138 LDB: Average compute 0.001733 is 1.5% of average load 0.118138 LDB: TIME 9256.02 LOAD: AVG 0.118138 MAX 0.207638 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.066 MB LDB: TIME 9256.02 LOAD: AVG 0.118138 MAX 0.207638 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.066 MB LDB: TIME 9256.02 LOAD: AVG 0.118138 MAX 0.207638 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.066 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9256.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9256.03 PRESSURE: 3072400 153.95 -68.0399 -38.6525 -68.0404 -204.076 -7.38302 -38.6523 -7.38392 171.967 GPRESSURE: 3072400 129.102 -73.748 -32.9147 -15.1367 -112.015 -70.9212 47.6874 102.513 206.571 PRESSAVG: 3072400 -7.12562 38.469 11.9351 38.469 21.6996 32.7883 11.935 32.7884 -25.6613 GPRESSAVG: 3072400 -8.37645 36.7156 11.8633 36.9022 22.6107 31.3649 14.1036 36.6583 -25.8491 TIMING: 3072400 CPU: 9252.81, 0.00305864/step Wall: 9252.81, 0.00305864/step, 1.63773 hours remaining, 210.539062 MB of memory in use. ENERGY: 3072400 773.3100 2099.2053 1931.8684 107.7451 -206522.5084 17832.5558 0.0000 0.0000 34253.8413 -149523.9826 299.1473 -183777.8239 -149427.3861 298.9448 40.6137 74.5528 555445.3591 -3.6958 -3.8716 PRESSURE: 3072600 -68.9271 76.8715 -115.116 76.8712 75.1961 -88.7577 -115.117 -88.7573 -130.401 GPRESSURE: 3072600 -41.6159 145.523 -75.0224 51.7087 143.122 -150.342 -125.579 -128.869 -132.5 PRESSAVG: 3072600 -57.5461 2.67732 3.87099 2.67733 88.9227 -17.3916 3.87103 -17.3915 4.45235 GPRESSAVG: 3072600 -57.6583 4.80276 1.3218 2.56212 88.7424 -18.3569 6.14699 -18.2166 4.7845 TIMING: 3072600 CPU: 9253.42, 0.00300935/step Wall: 9253.42, 0.00300935/step, 1.61118 hours remaining, 210.742188 MB of memory in use. ENERGY: 3072600 713.4497 2138.2984 1927.4086 102.2520 -206067.9463 17512.5466 0.0000 0.0000 34235.0878 -149438.9034 298.9835 -183673.9911 -149339.5489 298.8518 -41.3774 -10.3311 554595.2712 11.9430 11.9562 PRESSURE: 3072800 -100.786 11.8009 -97.6529 11.8013 91.2317 -141.434 -97.6547 -141.434 78.201 GPRESSURE: 3072800 -86.4876 16.4331 12.112 3.9798 68.5462 -110.25 -131.394 -150.61 177.4 PRESSAVG: 3072800 -20.0831 -55.1874 3.52874 -55.1873 37.9329 -13.6552 3.52865 -13.6551 -40.4472 GPRESSAVG: 3072800 -20.0813 -55.5827 4.73803 -52.8662 38.4432 -12.1314 0.557586 -15.8475 -41.7453 TIMING: 3072800 CPU: 9254.02, 0.00303497/step Wall: 9254.02, 0.00303497/step, 1.62472 hours remaining, 210.742188 MB of memory in use. ENERGY: 3072800 777.5483 2090.5948 1932.7007 117.9397 -206268.1989 17857.4417 0.0000 0.0000 34184.7982 -149307.1757 298.5443 -183491.9738 -149205.3729 299.6481 22.8822 53.1528 557807.5610 -7.5325 -7.7945 PRESSURE: 3073000 21.0481 177 -107.129 176.999 -105.215 91.9349 -107.129 91.9363 -248.999 GPRESSURE: 3073000 -5.92562 198.969 -164.284 140.952 -75.5517 60.5509 -30.7683 89.4399 -154.997 PRESSAVG: 3073000 -17.0445 -28.7614 -35.4426 -28.7613 -5.36777 23.9916 -35.4426 23.9917 0.153457 GPRESSAVG: 3073000 -17.0834 -27.8911 -34.4154 -29.6454 -6.29051 22.957 -35.3744 25.6475 1.00827 TIMING: 3073000 CPU: 9254.63, 0.00302092/step Wall: 9254.63, 0.00302092/step, 1.61703 hours remaining, 210.812500 MB of memory in use. ENERGY: 3073000 737.4329 2071.9241 1954.7763 118.6857 -206158.4441 17552.3232 0.0000 0.0000 34231.3136 -149491.9884 298.9506 -183723.3020 -149391.8054 300.1875 -111.0552 -78.8247 556894.1010 -7.4196 -7.4552 PRESSURE: 3073200 -227.654 10.3997 214.142 10.4 22.9408 -109.203 214.142 -109.202 -162.714 GPRESSURE: 3073200 -151.268 67.6601 167.444 28.8849 32.2634 -43.0501 192.981 -134.791 -149.641 PRESSAVG: 3073200 34.5477 -2.15011 -15.1221 -2.15011 -4.14701 43.3993 -15.1222 43.3993 0.00679948 GPRESSAVG: 3073200 35.3935 -4.41587 -15.8363 -2.34058 -3.55311 43.4108 -14.6678 42.6534 -1.64548 TIMING: 3073200 CPU: 9255.23, 0.00302325/step Wall: 9255.23, 0.00302325/step, 1.61811 hours remaining, 210.812500 MB of memory in use. ENERGY: 3073200 802.1738 2022.9850 1960.1291 110.2929 -206274.5505 17749.7050 0.0000 0.0000 34106.6509 -149522.6137 297.8619 -183629.2647 -149432.0341 299.2732 -122.4756 -89.5486 556879.8355 10.1358 10.0650 PRESSURE: 3073400 71.1172 71.4951 10.5488 71.4936 -76.3088 126.556 10.5493 126.557 64.2477 GPRESSURE: 3073400 95.227 66.2167 34.7831 77.8837 -43.2531 67.4268 -73.3422 152.507 99.261 PRESSAVG: 3073400 -35.6537 45.6739 18.7874 45.6739 47.5594 31.1147 18.7874 31.1148 8.2162 GPRESSAVG: 3073400 -34.9837 46.2953 18.2021 45.6912 47.004 31.7732 18.1101 31.0661 8.22744 TIMING: 3073400 CPU: 9255.84, 0.00302551/step Wall: 9255.84, 0.00302551/step, 1.61915 hours remaining, 210.812500 MB of memory in use. ENERGY: 3073400 750.0321 2081.7999 1922.4555 115.6791 -206037.6710 17599.7668 0.0000 0.0000 34255.7059 -149312.2317 299.1636 -183567.9376 -149217.9048 298.8624 19.6854 50.4117 554739.6313 6.7073 6.7492 PRESSURE: 3073600 -19.7255 -216.442 -203.557 -216.442 -125.222 32.7737 -203.557 32.7728 -319.533 GPRESSURE: 3073600 -24.1559 -181.431 -169.91 -191.036 -81.7293 88.9783 -165.32 10.7878 -266.706 PRESSAVG: 3073600 47.8698 -13.9685 -36.1047 -13.9686 8.93033 -17.1316 -36.1047 -17.1316 -2.23994 GPRESSAVG: 3073600 47.8449 -15.4917 -35.4697 -13.4894 8.65859 -18.4969 -35.6816 -16.3668 -2.79672 TIMING: 3073600 CPU: 9256.44, 0.00300735/step Wall: 9256.44, 0.00300735/step, 1.60927 hours remaining, 210.812500 MB of memory in use. ENERGY: 3073600 807.5567 2082.6388 1953.7821 120.0820 -206181.5104 17561.8450 0.0000 0.0000 34368.1141 -149287.4918 300.1453 -183655.6059 -149185.1477 299.4523 -154.8269 -124.1969 556963.9070 18.1867 17.9023 PRESSURE: 3073800 -448.575 185.73 0.814317 185.73 -215.99 -35.3934 0.814734 -35.3938 -569.096 GPRESSURE: 3073800 -402.937 182.946 26.7535 131.545 -164.744 3.03453 -1.47516 -44.4583 -572.97 PRESSAVG: 3073800 59.7997 -17.0108 -34.4873 -17.0108 -37.6794 4.17833 -34.4873 4.17835 -67.968 GPRESSAVG: 3073800 59.6395 -14.0712 -36.1022 -19.5743 -39.23 5.095 -32.0419 3.64 -66.327 TIMING: 3073800 CPU: 9257.04, 0.00302126/step Wall: 9257.04, 0.00302126/step, 1.61654 hours remaining, 210.812500 MB of memory in use. ENERGY: 3073800 762.6260 2085.2911 1920.5868 104.9188 -205662.1940 17257.0508 0.0000 0.0000 34265.7595 -149265.9609 299.2514 -183531.7204 -149164.1501 299.2959 -411.2206 -380.2171 558616.2138 -15.2826 -15.3059 PRESSURE: 3074000 174.117 -30.5344 49.9118 -30.5326 148.945 61.7533 49.9113 61.7528 214.347 GPRESSURE: 3074000 184.368 -32.2964 129.781 72.9438 203.345 42.333 -41.0825 111.529 254.908 PRESSAVG: 3074000 -1.53318 -4.81733 -14.467 -4.81726 -68.5406 30.1434 -14.467 30.1434 45.0533 GPRESSAVG: 3074000 -2.01477 -5.99301 -9.88641 -3.82082 -67.7697 32.3577 -17.792 29.677 44.6957 TIMING: 3074000 CPU: 9257.64, 0.00300854/step Wall: 9257.64, 0.00300854/step, 1.60957 hours remaining, 210.812500 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: 3074000 753.8630 2080.8514 1934.4021 116.0705 -206692.2504 18099.5251 0.0000 0.0000 34353.6023 -149353.9360 300.0186 -183707.5383 -149258.6573 299.6111 179.1364 214.2067 556625.4568 -8.3402 -8.3629 PRESSURE: 3074200 -99.8131 -82.5775 37.3208 -82.577 -186.324 -30.9602 37.3207 -30.9599 -239.519 GPRESSURE: 3074200 -37.113 -63.778 27.1294 -65.6492 -201.344 35.787 39.794 -84.1852 -193.766 PRESSAVG: 3074200 60.8389 29.6068 19.2314 29.6068 -26.7339 23.3004 19.2314 23.3004 -43.5819 GPRESSAVG: 3074200 60.2273 32.0407 16.9157 28.8369 -26.4612 22.4045 20.8003 23.4663 -43.7619 TIMING: 3074200 CPU: 9258.24, 0.00296746/step Wall: 9258.24, 0.00296746/step, 1.58743 hours remaining, 210.812500 MB of memory in use. ENERGY: 3074200 739.5557 2067.9634 1956.8607 107.6788 -206256.7666 17630.7002 0.0000 0.0000 34257.1379 -149496.8700 299.1761 -183754.0079 -149397.7902 299.4652 -175.2187 -144.0744 557073.5617 -3.1589 -3.3319 PRESSURE: 3074400 -30.4811 -20.9484 76.1911 -20.9478 73.2078 199.425 76.1902 199.425 110.73 GPRESSURE: 3074400 -21.6896 67.3545 13.7375 2.10386 90.3715 162.409 64.0173 206.589 182.927 PRESSAVG: 3074400 31.8629 53.8516 62.334 53.8516 -11.9379 16.1069 62.334 16.1068 -57.4895 GPRESSAVG: 3074400 32.1211 49.4114 60.6971 56.8095 -11.1346 16.2315 61.9429 14.489 -57.4315 TIMING: 3074400 CPU: 9258.84, 0.00298763/step Wall: 9258.84, 0.00298763/step, 1.59805 hours remaining, 210.812500 MB of memory in use. ENERGY: 3074400 743.3039 2079.4301 1950.6554 105.8841 -206434.5623 17932.7422 0.0000 0.0000 34199.7476 -149422.7991 298.6749 -183622.5467 -149328.4924 298.6378 51.1521 83.8697 556846.1543 -12.5215 -12.1484 PRESSURE: 3074600 -281.442 48.4224 79.2477 48.4211 -188.881 -152.682 79.2465 -152.682 -9.49322 GPRESSURE: 3074600 -200.576 78.8565 78.0271 -18.2146 -163.875 -145.192 116.236 -176.657 -11.0265 PRESSAVG: 3074600 51.5164 11.7806 11.6025 11.7806 -39.6473 56.5716 11.6024 56.5714 -59.0711 GPRESSAVG: 3074600 51.3263 13.0875 13.013 11.099 -39.5138 57.1118 10.2007 57.8488 -59.2294 TIMING: 3074600 CPU: 9259.43, 0.0029829/step Wall: 9259.43, 0.0029829/step, 1.59535 hours remaining, 210.812500 MB of memory in use. ENERGY: 3074600 739.7938 2076.9493 1950.0997 112.4799 -205863.2048 17459.1577 0.0000 0.0000 34268.3091 -149256.4154 299.2737 -183524.7245 -149154.5136 299.7679 -159.9386 -125.1591 556275.9416 -15.7340 -15.8056 PRESSURE: 3074800 -127.308 30.9401 122.103 30.9409 -325.278 -90.7908 122.104 -90.7891 -506.976 GPRESSURE: 3074800 -144.713 63.5698 131.499 17.8643 -239.761 -93.5174 184.658 -120.823 -473.988 PRESSAVG: 3074800 -0.608053 -15.8483 5.8769 -15.8484 25.6762 -12.222 5.87694 -12.2221 -14.4366 GPRESSAVG: 3074800 -0.177268 -15.4882 6.76328 -15.6005 24.1917 -14.5651 5.35356 -10.5204 -13.3307 TIMING: 3074800 CPU: 9260.04, 0.00301725/step Wall: 9260.04, 0.00301725/step, 1.61356 hours remaining, 210.812500 MB of memory in use. ENERGY: 3074800 761.9923 2115.7364 1914.9527 107.1889 -205629.9171 17394.7686 0.0000 0.0000 34113.4731 -149221.8051 297.9214 -183335.2783 -149128.2506 299.6815 -319.8539 -286.1540 557808.1101 3.5439 3.5613 PRESSURE: 3075000 -153.259 30.6351 58.0886 30.6356 -152.073 -7.64447 58.0884 -7.64451 -246.204 GPRESSURE: 3075000 -99.4131 8.97062 62.4573 23.3393 -172.687 -103.147 63.6293 10.3221 -182.056 PRESSAVG: 3075000 26.8183 -7.88396 45.7276 -7.88399 26.4266 13.0637 45.7277 13.0637 -64.0411 GPRESSAVG: 3075000 26.3645 -7.51839 47.3415 -8.8818 27.4222 13.1027 43.6871 11.719 -64.9867 TIMING: 3075000 CPU: 9260.64, 0.00302448/step Wall: 9260.64, 0.00302449/step, 1.61726 hours remaining, 210.812500 MB of memory in use. ENERGY: 3075000 760.4538 2081.1050 1955.4830 123.9934 -205906.3755 17489.8658 0.0000 0.0000 34319.1987 -149176.2758 299.7181 -183495.4745 -149088.2191 298.9476 -183.8455 -151.3855 556540.1974 -3.5987 -3.7333 PRESSURE: 3075200 -43.1794 -18.22 -117.461 -18.2188 208.227 -27.8202 -117.461 -27.8198 -177.372 GPRESSURE: 3075200 27.2075 -41.7013 -162.708 -2.22698 239.021 -50.918 -154.492 -39.6101 -177.957 PRESSAVG: 3075200 31.7744 3.02891 -9.33426 3.02891 -0.27717 0.0956258 -9.33425 0.0957243 16.1004 GPRESSAVG: 3075200 31.6109 3.74367 -12.0934 4.04636 1.27733 -0.745809 -5.78801 0.697495 15.0048 TIMING: 3075200 CPU: 9261.24, 0.00297263/step Wall: 9261.24, 0.00297263/step, 1.58937 hours remaining, 210.812500 MB of memory in use. ENERGY: 3075200 730.7239 2084.0216 1950.4019 108.9150 -205753.4997 17558.6619 0.0000 0.0000 34309.0560 -149011.7194 299.6295 -183320.7754 -148912.5785 299.8043 -4.1081 29.4238 556284.0486 15.8659 15.9643 PRESSURE: 3075400 -40.7598 38.71 -38.1272 38.7105 140.446 29.1349 -38.1268 29.1347 -10.2927 GPRESSURE: 3075400 5.42481 91.0415 81.3105 61.5639 129.961 46.561 -72.3547 24.502 53.5768 PRESSAVG: 3075400 -34.9193 -22.4269 0.0415833 -22.4269 -6.53983 39.357 0.0416499 39.3568 33.6685 GPRESSAVG: 3075400 -36.4401 -22.6599 -0.557991 -24.6186 -7.53133 41.8611 1.17441 37.4059 36.1106 TIMING: 3075400 CPU: 9261.83, 0.00299281/step Wall: 9261.83, 0.00299281/step, 1.59999 hours remaining, 210.812500 MB of memory in use. ENERGY: 3075400 725.1034 2079.9576 1949.7378 112.2369 -206013.6288 17742.8130 0.0000 0.0000 34309.3551 -149094.4250 299.6321 -183403.7801 -148994.7345 300.3612 29.7979 62.9875 557006.2687 -2.5969 -2.6203 PRESSURE: 3075600 -206.917 -17.6382 -29.4517 -17.6368 -37.1898 -52.3546 -29.4506 -52.3544 18.7042 GPRESSURE: 3075600 -169.696 9.44013 -60.9021 -99.3513 7.01778 -67.7373 41.7432 23.0826 24.3977 PRESSAVG: 3075600 12.1085 -61.8793 14.972 -61.8791 -52.8421 4.48932 14.972 4.48925 54.6074 GPRESSAVG: 3075600 13.2705 -63.3979 15.8429 -60.0703 -52.5798 2.68439 15.7928 7.41103 53.4158 TIMING: 3075600 CPU: 9262.43, 0.00296676/step Wall: 9262.43, 0.00296676/step, 1.5859 hours remaining, 210.812500 MB of memory in use. ENERGY: 3075600 755.2285 2059.8823 1920.7237 110.9454 -206112.7014 17868.5450 0.0000 0.0000 34371.7935 -149025.5829 300.1774 -183397.3765 -148916.9080 299.8887 -75.1341 -46.0935 558047.1713 4.6246 4.7022 PRESSURE: 3075800 -122.623 66.6806 -43.9807 66.6813 248.089 79.2646 -43.9816 79.2659 -240.849 GPRESSURE: 3075800 -82.3641 5.60736 -15.6075 -59.8335 275.331 113.341 -6.13309 63.6261 -212.241 PRESSAVG: 3075800 0.349046 -29.4262 -23.4749 -29.4263 -69.514 -4.97454 -23.4749 -4.97455 57.9022 GPRESSAVG: 3075800 -0.297581 -29.3344 -22.8304 -29.3418 -69.8191 -4.05177 -23.661 -5.8792 58.5596 TIMING: 3075800 CPU: 9263.02, 0.00296931/step Wall: 9263.02, 0.00296931/step, 1.58709 hours remaining, 210.812500 MB of memory in use. ENERGY: 3075800 765.7316 2090.3406 1944.4759 114.4417 -206394.9970 17939.3787 0.0000 0.0000 34474.1504 -149066.4780 301.0713 -183540.6284 -148975.3972 299.7276 -38.4610 -6.4249 556929.7538 -3.7542 -3.8524 PRESSURE: 3076000 -63.8404 106.301 -100.38 106.3 -298.759 48.261 -100.379 48.261 -58.7489 GPRESSURE: 3076000 3.1931 176.539 -70.5948 5.86792 -265.161 2.29574 -110.877 117.86 -59.0998 PRESSAVG: 3076000 -3.54578 -63.9684 -9.29565 -63.9683 -4.93356 16.7354 -9.29568 16.7354 19.8726 GPRESSAVG: 3076000 -2.36323 -62.3757 -9.32954 -64.7454 -4.44159 15.8409 -11.7059 16.0354 17.8505 TIMING: 3076000 CPU: 9263.61, 0.00295954/step Wall: 9263.61, 0.00295954/step, 1.58171 hours remaining, 210.812500 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: 3076000 799.6355 2047.1910 1946.9345 119.5410 -205525.7855 17333.0997 0.0000 0.0000 34304.6143 -148974.7694 299.5907 -183279.3837 -148885.7801 299.8046 -140.4494 -107.0227 557673.3089 3.7978 3.6819 PRESSURE: 3076200 104.954 -58.9996 -199.382 -58.9995 39.8856 206.761 -199.381 206.762 -70.2875 GPRESSURE: 3076200 123.262 -74.7114 -211.88 -57.5849 65.4043 192.866 -99.6834 229.825 -5.45728 PRESSAVG: 3076200 16.0988 -54.0246 -28.1377 -54.0245 -4.52232 -5.45206 -28.1377 -5.45196 -5.83829 GPRESSAVG: 3076200 15.8228 -56.6453 -28.8699 -53.4844 -5.31049 -6.84015 -27.0883 -5.08475 -4.86125 TIMING: 3076200 CPU: 9264.21, 0.00297583/step Wall: 9264.21, 0.00297583/step, 1.59025 hours remaining, 210.812500 MB of memory in use. ENERGY: 3076200 738.3125 2148.0453 1948.0474 112.5990 -206128.6934 17815.4187 0.0000 0.0000 34283.5660 -149082.7045 299.4069 -183366.2705 -148984.3167 299.9465 24.8507 61.0696 556863.7810 1.9127 1.8837 LDB: ============= START OF LOAD BALANCING ============== 9267.72 LDB: ============== END OF LOAD BALANCING =============== 9267.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9267.72 LDB: ============= START OF LOAD BALANCING ============== 9268.02 LDB: Largest compute 4774 load 0.030466 is 25.8% of average load 0.118084 LDB: Average compute 0.001733 is 1.5% of average load 0.118084 LDB: TIME 9268.03 LOAD: AVG 0.118084 MAX 0.210139 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.258 MB LDB: TIME 9268.03 LOAD: AVG 0.118084 MAX 0.210139 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.258 MB LDB: TIME 9268.03 LOAD: AVG 0.118084 MAX 0.210139 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.258 MB LDB: ============== END OF LOAD BALANCING =============== 9268.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9268.03 PRESSURE: 3076400 116.401 36.652 -93.7858 36.6505 294.245 -79.6109 -93.787 -79.6114 -90.494 GPRESSURE: 3076400 147.785 111.203 -57.9028 19.9113 348.651 -48.6947 -176.864 -44.8538 -77.8851 PRESSAVG: 3076400 81.0087 23.6427 -62.5764 23.6428 -5.01237 6.79975 -62.5764 6.79971 -58.2915 GPRESSAVG: 3076400 81.0459 24.3558 -63.8124 23.8025 -4.26589 10.6349 -63.4288 6.52089 -58.9212 TIMING: 3076400 CPU: 9264.82, 0.00304108/step Wall: 9264.82, 0.00304108/step, 1.62495 hours remaining, 209.699219 MB of memory in use. ENERGY: 3076400 735.3619 2099.2702 1930.3096 100.4342 -206136.7528 17921.3627 0.0000 0.0000 34230.7535 -149119.2608 298.9457 -183350.0142 -149018.9520 299.9837 106.7173 139.5171 557619.4047 5.9016 5.9529 PRESSURE: 3076600 53.4707 -109.182 39.4726 -109.183 36.7105 40.4794 39.4731 40.4794 -136.711 GPRESSURE: 3076600 92.9135 -172.933 70.8302 -55.866 103.731 141.12 80.0125 91.7967 -143.458 PRESSAVG: 3076600 -39.4358 -3.39556 2.24107 -3.39555 50.4615 -37.7472 2.24102 -37.7472 -0.168177 GPRESSAVG: 3076600 -39.8112 -3.17986 2.19085 -4.33086 49.7804 -39.8798 2.80676 -35.609 0.624974 TIMING: 3076600 CPU: 9265.42, 0.00300329/step Wall: 9265.42, 0.00300329/step, 1.60459 hours remaining, 210.160156 MB of memory in use. ENERGY: 3076600 752.3842 2057.6152 1956.6342 122.0761 -206355.9981 17855.4952 0.0000 0.0000 34611.5857 -149000.2074 302.2716 -183611.7932 -148907.9644 299.4981 -15.5100 17.7289 558658.2796 3.6192 3.5314 PRESSURE: 3076800 -29.6814 78.4209 82.1222 78.4222 -52.9386 -64.2329 82.1219 -64.2331 -42.4539 GPRESSURE: 3076800 -18.8713 63.9119 6.80611 -70.5054 -2.39918 -59.6864 110.788 -19.1451 -4.45266 PRESSAVG: 3076800 9.91782 38.3009 17.6653 38.3009 57.9359 -16.2164 17.6653 -16.2165 -10.5939 GPRESSAVG: 3076800 9.48679 39.1041 19.5194 40.5918 59.0418 -17.1556 16.8188 -18.4495 -11.331 TIMING: 3076800 CPU: 9266.02, 0.00299687/step Wall: 9266.02, 0.00299687/step, 1.601 hours remaining, 210.160156 MB of memory in use. ENERGY: 3076800 733.1162 2097.9199 1915.8257 102.8582 -205887.5319 17722.2386 0.0000 0.0000 34213.7709 -149101.8023 298.7974 -183315.5732 -149000.1161 299.7820 -41.6913 -8.5744 557196.1083 19.0866 19.0659 PRESSURE: 3077000 171.961 -56.878 -152.534 -56.8788 -102.335 -47.3422 -152.533 -47.3426 146.324 GPRESSURE: 3077000 196.37 -32.0787 -94.0089 -18.6184 -26.4291 -4.11469 -174.925 -135.393 141.998 PRESSAVG: 3077000 -44.007 -36.1692 -14.3344 -36.169 39.6143 46.7455 -14.3345 46.7455 30.0507 GPRESSAVG: 3077000 -44.5371 -36.7905 -14.419 -34.5153 40.4358 48.4441 -11.9121 46.7428 30.2848 TIMING: 3077000 CPU: 9266.61, 0.00299078/step Wall: 9266.61, 0.00299078/step, 1.59758 hours remaining, 210.160156 MB of memory in use. ENERGY: 3077000 743.6941 2154.5441 1921.5050 119.7138 -205867.4156 17783.5878 0.0000 0.0000 34267.0140 -148877.3567 299.2624 -183144.3708 -148777.8040 299.8083 71.9833 103.9796 556142.8372 8.5527 8.7278 PRESSURE: 3077200 88.0168 -86.0175 30.8066 -86.0178 -116.183 8.79259 30.8057 8.79271 -16.7893 GPRESSURE: 3077200 126.694 -1.09673 108.813 -128.761 -66.8554 -157.242 20.8535 45.0986 -13.8258 PRESSAVG: 3077200 32.9033 8.90241 -17.9889 8.90244 -74.5915 -7.55732 -17.9889 -7.55719 25.3035 GPRESSAVG: 3077200 33.9958 10.107 -18.2703 4.95808 -75.4597 -9.09429 -19.1993 -6.23662 24.8581 TIMING: 3077200 CPU: 9267.21, 0.00299731/step Wall: 9267.21, 0.00299731/step, 1.6009 hours remaining, 210.160156 MB of memory in use. ENERGY: 3077200 754.9218 2077.1136 1925.0263 121.6617 -205746.9545 17731.2186 0.0000 0.0000 34249.9115 -148887.1010 299.1130 -183137.0125 -148790.7672 299.9863 -14.9851 15.3375 558244.1232 -5.4616 -5.5353 PRESSURE: 3077400 4.64732 -104.558 -34.2099 -104.556 312.887 15.7568 -34.2095 15.7544 153.943 GPRESSURE: 3077400 94.7315 -88.7466 -53.4546 -174.197 270.609 35.0247 -37.3501 -15.8595 206.275 PRESSAVG: 3077400 28.5211 -46.5842 -5.96066 -46.5842 6.49718 11.7305 -5.96071 11.7304 -35.4573 GPRESSAVG: 3077400 27.845 -45.8783 -5.56404 -45.1786 6.69735 12.8414 -6.54336 10.1402 -34.8098 TIMING: 3077400 CPU: 9267.81, 0.00298825/step Wall: 9267.81, 0.00298825/step, 1.59589 hours remaining, 210.160156 MB of memory in use. ENERGY: 3077400 780.3852 2091.4744 1936.0049 107.1479 -205998.1374 18058.2597 0.0000 0.0000 34196.2213 -148828.6439 298.6441 -183024.8653 -148735.0482 300.3086 157.1589 190.5385 558583.7450 -0.1463 -0.0891 PRESSURE: 3077600 44.1627 32.4242 41.5523 32.4228 12.6022 36.6917 41.5533 36.6939 -26.0543 GPRESSURE: 3077600 129.444 8.00396 46.4991 77.0614 7.54677 -16.2789 13.5149 137.12 2.70366 PRESSAVG: 3077600 -0.602167 0.646412 -40.6024 0.646429 114.613 49.8278 -40.6024 49.8278 -50.0682 GPRESSAVG: 3077600 -0.0443302 -0.0967718 -41.1622 1.42109 114.846 50.2853 -43.2914 51.2543 -50.7066 TIMING: 3077600 CPU: 9268.42, 0.00302768/step Wall: 9268.42, 0.00302768/step, 1.61678 hours remaining, 210.160156 MB of memory in use. ENERGY: 3077600 754.1555 2086.2327 1957.8629 117.2460 -206272.7981 17904.7271 0.0000 0.0000 34546.8387 -148905.7352 301.7061 -183452.5739 -148804.3269 300.2340 10.2369 46.5649 558275.1156 21.3144 21.3651 PRESSURE: 3077800 198.126 -93.6451 -48.405 -93.6448 -58.6721 34.2545 -48.4045 34.2528 84.8976 GPRESSURE: 3077800 227.089 -68.6628 -77.2489 -32.8585 -63.1518 93.8907 -51.6293 60.378 166.512 PRESSAVG: 3077800 -10.6422 -15.7185 -57.6548 -15.7184 21.8616 43.3621 -57.6548 43.3622 -58.9345 GPRESSAVG: 3077800 -10.846 -15.3416 -56.7002 -16.5957 21.2519 44.301 -54.8581 41.8216 -58.0896 TIMING: 3077800 CPU: 9269.03, 0.00305493/step Wall: 9269.03, 0.00305493/step, 1.63116 hours remaining, 210.160156 MB of memory in use. ENERGY: 3077800 781.6091 2093.9394 1941.8071 104.8818 -206229.3863 17887.2836 0.0000 0.0000 34339.9878 -149079.8775 299.8997 -183419.8654 -148987.3021 300.0744 74.7839 110.1497 556627.1963 -15.9050 -15.8945 PRESSURE: 3078000 -187.016 -151.989 9.74569 -151.988 -202.358 -31.5137 9.74472 -31.5126 -145.594 GPRESSURE: 3078000 -153.31 -150.032 -7.14703 -126.252 -169.453 10.6855 1.93271 -22.3046 -124.973 PRESSAVG: 3078000 16.9352 14.6473 -8.42056 14.6474 -59.1002 29.8622 -8.42047 29.8623 28.0536 GPRESSAVG: 3078000 16.0617 13.0801 -8.31278 15.2854 -57.9999 28.8979 -11.5073 30.8012 27.7092 TIMING: 3078000 CPU: 9269.63, 0.00301495/step Wall: 9269.63, 0.00301495/step, 1.60965 hours remaining, 210.160156 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: 3078000 747.8841 2056.8222 1927.1457 105.5303 -205769.1354 17603.3635 0.0000 0.0000 34273.5811 -149054.8087 299.3197 -183328.3897 -148955.6880 300.2486 -178.3228 -149.2453 559349.5798 -4.7038 -4.7430 PRESSURE: 3078200 -342.071 17.2945 -89.3103 17.2933 -179.186 25.5318 -89.3122 25.5312 -174.266 GPRESSURE: 3078200 -376.608 46.5597 29.3892 22.8178 -126.817 81.0703 -191.29 -36.2475 -95.8589 PRESSAVG: 3078200 18.9294 -37.6399 -35.4258 -37.6399 -4.98393 7.99554 -35.4258 7.99562 -14.3506 GPRESSAVG: 3078200 19.7041 -36.141 -37.1195 -37.1655 -4.68071 7.86468 -33.9258 8.10548 -15.3839 TIMING: 3078200 CPU: 9270.24, 0.00302804/step Wall: 9270.24, 0.00302804/step, 1.61647 hours remaining, 210.160156 MB of memory in use. ENERGY: 3078200 747.6463 2034.5847 1924.9065 116.1567 -206003.1307 17514.0330 0.0000 0.0000 34402.3544 -149263.4492 300.4443 -183665.8036 -149155.8438 299.4576 -231.8413 -199.7613 558631.2972 -0.1351 -0.1202 PRESSURE: 3078400 -55.7269 -139.579 -15.6034 -139.579 -2.70689 -74.0794 -15.6028 -74.0816 14.7692 GPRESSURE: 3078400 -92.3856 -141.313 -42.1439 -129.338 77.4502 -95.6332 -5.47829 27.3615 61.9827 PRESSAVG: 3078400 42.6947 -2.17661 16.259 -2.17663 10.338 59.4268 16.259 59.4268 -32.0144 GPRESSAVG: 3078400 42.9056 -3.3917 17.8627 -1.50576 9.60285 59.5214 16.0369 60.6452 -31.0672 TIMING: 3078400 CPU: 9270.83, 0.00298541/step Wall: 9270.83, 0.00298541/step, 1.59354 hours remaining, 210.160156 MB of memory in use. ENERGY: 3078400 745.0106 2095.8844 1956.3764 120.4044 -206100.0540 17688.4580 0.0000 0.0000 34249.2841 -149244.6361 299.1075 -183493.9202 -149140.5191 298.9983 -14.5549 15.6824 556679.9205 7.0061 7.1471 PRESSURE: 3078600 15.0605 19.1089 7.34173 19.1077 198.517 156.403 7.34138 156.405 -41.766 GPRESSURE: 3078600 27.6437 -16.293 12.988 6.14473 226.781 47.0272 36.6985 315.98 18.4971 PRESSAVG: 3078600 -25.7773 -34.6127 2.07187 -34.6127 22.991 81.3835 2.07202 81.3834 41.8142 GPRESSAVG: 3078600 -25.5817 -35.1792 0.482475 -34.6867 22.5372 80.9266 5.50143 80.1785 41.7125 TIMING: 3078600 CPU: 9271.43, 0.00299633/step Wall: 9271.43, 0.00299633/step, 1.59921 hours remaining, 210.160156 MB of memory in use. ENERGY: 3078600 738.8121 2096.2488 1950.2788 118.6665 -206387.5002 18002.6206 0.0000 0.0000 34250.3878 -149230.4855 299.1172 -183480.8733 -149134.3182 299.7398 57.2707 90.9739 556618.3391 13.0093 12.8893 PRESSURE: 3078800 251.876 -224.281 -76.6147 -224.282 26.3145 -75.2288 -76.6146 -75.2287 -101.21 GPRESSURE: 3078800 253.494 -300.849 -66.7005 -217.269 20.9376 -75.5136 -82.9707 -72.0187 0.888253 PRESSAVG: 3078800 -31.7152 14.8665 2.42939 14.8664 43.4835 22.4961 2.42941 22.4961 -13.6693 GPRESSAVG: 3078800 -30.4296 17.8859 3.6032 11.6863 43.3962 23.037 -0.216121 23.9974 -14.0003 TIMING: 3078800 CPU: 9272.04, 0.00301634/step Wall: 9272.04, 0.00301634/step, 1.60972 hours remaining, 210.160156 MB of memory in use. ENERGY: 3078800 757.2396 2060.0727 1931.8779 114.0189 -206493.6868 17862.3210 0.0000 0.0000 34351.7902 -149416.3666 300.0027 -183768.1568 -149316.8015 299.4297 58.9935 91.7734 556687.1887 -0.6337 -0.3446 PRESSURE: 3079000 238.096 77.2308 67.3071 77.2311 190.335 -81.3302 67.3083 -81.3304 -56.2428 GPRESSURE: 3079000 238.406 129.689 1.90092 64.5934 246.679 4.968 60.5136 -135.208 8.89775 PRESSAVG: 3079000 51.3222 11.6298 15.5466 11.6299 11.2129 5.04617 15.5466 5.04624 -40.0647 GPRESSAVG: 3079000 49.6794 8.81404 14.9004 15.5251 12.2804 6.67539 15.3752 2.68618 -40.0216 TIMING: 3079000 CPU: 9272.63, 0.00299231/step Wall: 9272.63, 0.00299231/step, 1.59673 hours remaining, 210.160156 MB of memory in use. ENERGY: 3079000 745.3026 2092.6764 1958.6406 114.9596 -206484.6472 17896.5361 0.0000 0.0000 34284.3220 -149392.2100 299.4135 -183676.5319 -149301.6248 299.4885 124.0630 164.6610 556099.8072 7.4901 7.3127 PRESSURE: 3079200 -212.18 -125.091 49.4701 -125.091 -44.1483 -122.37 49.4707 -122.369 -243.486 GPRESSURE: 3079200 -161.961 -135.816 133.147 -111.071 -17.9493 -131.401 16.8023 -89.1304 -213.826 PRESSAVG: 3079200 43.6734 -23.2533 0.384102 -23.2532 34.1879 -28.708 0.383958 -28.708 -21.8123 GPRESSAVG: 3079200 43.5714 -22.5044 -1.69509 -23.3769 34.3803 -28.9401 0.99391 -27.8825 -21.7552 TIMING: 3079200 CPU: 9273.23, 0.00296794/step Wall: 9273.23, 0.00296794/step, 1.58356 hours remaining, 210.160156 MB of memory in use. ENERGY: 3079200 753.7990 2088.3551 1943.0462 113.4141 -206116.1099 17429.7084 0.0000 0.0000 34340.2968 -149447.4903 299.9024 -183787.7871 -149350.5301 299.3691 -166.6047 -131.2454 556525.1887 18.6830 18.7322 PRESSURE: 3079400 157.672 -16.2013 30.3978 -16.1995 -25.9016 156.616 30.3986 156.617 -93.346 GPRESSURE: 3079400 229.363 -21.4253 0.399518 30.2046 -2.77085 150.58 98.8781 132.083 -79.6301 PRESSAVG: 3079400 82.6786 10.3964 39.3927 10.3963 -24.9292 -31.8508 39.3927 -31.8507 -39.627 GPRESSAVG: 3079400 82.4113 11.6273 39.7513 7.44863 -24.7564 -34.0039 41.5309 -29.7202 -39.6948 TIMING: 3079400 CPU: 9273.82, 0.00296916/step Wall: 9273.82, 0.00296916/step, 1.58405 hours remaining, 210.160156 MB of memory in use. ENERGY: 3079400 751.1179 2080.8501 1968.1127 119.9293 -206435.0100 17899.0121 0.0000 0.0000 34179.2375 -149436.7505 298.4958 -183615.9880 -149334.3572 299.1065 12.8081 48.9875 557083.2323 6.0408 5.9867 PRESSURE: 3079600 177.433 -127.176 101.753 -127.174 44.8169 -163.336 101.753 -163.337 -9.248 GPRESSURE: 3079600 180.639 -102.987 43.3125 -104.452 116.535 -164.582 61.8537 -214.632 -4.28173 PRESSAVG: 3079600 42.0325 -19.695 -21.9183 -19.695 -55.4312 31.5939 -21.9183 31.594 -6.68108 GPRESSAVG: 3079600 42.7641 -21.0236 -22.9323 -18.3043 -56.0141 32.7053 -21.1624 30.5442 -6.88359 TIMING: 3079600 CPU: 9274.42, 0.00297124/step Wall: 9274.42, 0.00297124/step, 1.58499 hours remaining, 210.160156 MB of memory in use. ENERGY: 3079600 727.9912 2089.8750 1944.5101 106.9277 -206687.9835 17988.0566 0.0000 0.0000 34271.9030 -149558.7198 299.3051 -183830.6228 -149463.4662 298.9076 71.0007 97.6307 555696.5353 -6.6932 -6.7112 PRESSURE: 3079800 184.269 37.5037 18.6143 37.502 186.167 31.0367 18.6159 31.0376 236.427 GPRESSURE: 3079800 241.792 99.694 -50.9542 56.3007 138.588 62.8063 9.2698 39.0472 316.35 PRESSAVG: 3079800 10.0988 19.9101 -39.3789 19.9101 -21.5944 -50.3252 -39.3789 -50.3251 22.0351 GPRESSAVG: 3079800 10.5893 18.7639 -38.2196 21.8591 -21.8877 -49.5396 -41.0086 -52.4048 21.6466 TIMING: 3079800 CPU: 9275.01, 0.00299164/step Wall: 9275.01, 0.00299164/step, 1.59571 hours remaining, 210.160156 MB of memory in use. ENERGY: 3079800 730.4652 2010.8309 1921.0976 119.4588 -206557.3173 18100.9103 0.0000 0.0000 34276.6491 -149397.9054 299.3465 -183674.5545 -149295.3973 299.0823 202.2878 232.2432 555846.4606 3.5132 3.4494 PRESSURE: 3080000 116.789 90.8198 -44.8629 90.8208 52.2032 -107.288 -44.8629 -107.287 -116.502 GPRESSURE: 3080000 135.99 71.3191 -32.2856 34.7407 76.649 -74.9342 -2.98655 -103.82 -65.634 PRESSAVG: 3080000 43.1981 17.1424 -9.83284 17.1423 -21.0078 -6.96823 -9.83274 -6.96815 -45.4279 GPRESSAVG: 3080000 42.5255 19.9055 -8.13918 15.4015 -21.0063 -5.83665 -12.3392 -6.08098 -44.5285 TIMING: 3080000 CPU: 9275.62, 0.00300383/step Wall: 9275.62, 0.00300383/step, 1.60204 hours remaining, 210.160156 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: 3080000 736.5751 2055.3471 1920.2222 121.4384 -206049.8433 17809.3905 0.0000 0.0000 34021.4156 -149385.4543 297.1175 -183406.8699 -149289.8890 298.8451 17.4965 49.0017 557836.5439 -7.7459 -7.6698 PRESSURE: 3080200 -282.801 155.772 244.502 155.772 -129.816 119.885 244.502 119.885 -136.97 GPRESSURE: 3080200 -278.742 197.608 298.546 116.905 -97.1603 20.6451 274.059 98.4574 -75.0869 PRESSAVG: 3080200 -8.99442 -24.6331 2.79757 -24.6331 16.4862 -12.5582 2.79768 -12.5582 -39.9666 GPRESSAVG: 3080200 -8.73734 -24.4119 3.78354 -24.3012 17.2588 -12.4908 5.3543 -13.0225 -40.0706 TIMING: 3080200 CPU: 9276.21, 0.0029979/step Wall: 9276.21, 0.0029979/step, 1.59871 hours remaining, 210.160156 MB of memory in use. ENERGY: 3080200 763.4585 2097.8037 1962.0822 121.8332 -206060.3490 17750.6814 0.0000 0.0000 33998.3306 -149366.1594 296.9159 -183364.4900 -149273.4205 298.8415 -183.1957 -150.3296 558288.2650 -10.8249 -10.5164 LDB: ============= START OF LOAD BALANCING ============== 9279.73 LDB: ============== END OF LOAD BALANCING =============== 9279.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9279.73 LDB: ============= START OF LOAD BALANCING ============== 9280.03 LDB: Largest compute 4774 load 0.027176 is 23.0% of average load 0.118053 LDB: Average compute 0.001736 is 1.5% of average load 0.118053 LDB: TIME 9280.03 LOAD: AVG 0.118053 MAX 0.206746 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.57 MB LDB: TIME 9280.03 LOAD: AVG 0.118053 MAX 0.206746 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.641 MB LDB: TIME 9280.03 LOAD: AVG 0.118053 MAX 0.206746 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.641 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9280.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9280.04 PRESSURE: 3080400 -183.639 25.6956 -191.327 25.6953 10.4211 -64.9466 -191.327 -64.9449 -67.575 GPRESSURE: 3080400 -164.081 60.8482 -226.734 -26.0668 25.9613 -45.4921 -299.907 -46.1198 3.23094 PRESSAVG: 3080400 -18.9223 22.5341 26.2887 22.5341 -16.7969 4.6861 26.2887 4.68595 39.8695 GPRESSAVG: 3080400 -18.5598 20.4053 24.0789 21.5234 -17.0143 5.87431 25.6408 5.14491 40.0305 TIMING: 3080400 CPU: 9276.82, 0.00304014/step Wall: 9276.82, 0.00304013/step, 1.62107 hours remaining, 209.257812 MB of memory in use. ENERGY: 3080400 773.3671 2084.4743 1935.9271 110.6797 -206470.9615 17874.0215 0.0000 0.0000 34321.6375 -149370.8541 299.7394 -183692.4917 -149273.2382 298.5319 -80.2643 -44.9630 558374.8700 1.3834 1.4855 PRESSURE: 3080600 258.054 -91.3841 -224.71 -91.3841 284.31 -60.1115 -224.71 -60.1115 -29.0642 GPRESSURE: 3080600 294.511 7.08953 -178.303 -219.423 297.588 -89.7625 -212.914 -134.99 27.0892 PRESSAVG: 3080600 -27.6364 1.50142 -42.2865 1.50146 -7.06303 -20.3901 -42.2865 -20.3901 9.67261 GPRESSAVG: 3080600 -28.3717 2.73289 -40.5999 3.81706 -6.38393 -21.7725 -42.7207 -20.6633 9.04343 TIMING: 3080600 CPU: 9277.42, 0.00300143/step Wall: 9277.42, 0.00300143/step, 1.60026 hours remaining, 209.257812 MB of memory in use. ENERGY: 3080600 779.5994 2055.6327 1955.0007 113.0215 -206955.3469 18184.6619 0.0000 0.0000 34311.6295 -149555.8012 299.6520 -183867.4307 -149462.2412 299.2059 171.1001 206.3958 556601.0167 -8.3423 -8.5707 PRESSURE: 3080800 -96.8599 -145.802 -23.3535 -145.803 106.269 -129.216 -23.3525 -129.217 23.055 GPRESSURE: 3080800 20.1777 -77.6608 22.8391 -188.158 116.78 -56.4434 -8.32819 -86.7245 -8.91217 PRESSAVG: 3080800 1.32949 28.8374 7.10429 28.8374 -54.7165 13.6096 7.10427 13.6095 51.1012 GPRESSAVG: 3080800 2.26913 28.0428 8.17866 27.1953 -56.769 11.7963 6.3459 15.1462 51.5004 TIMING: 3080800 CPU: 9278.02, 0.00300522/step Wall: 9278.02, 0.00300522/step, 1.60211 hours remaining, 209.257812 MB of memory in use. ENERGY: 3080800 783.7607 2090.2273 1950.5775 94.8227 -206452.0973 17774.2712 0.0000 0.0000 34322.4301 -149436.0078 299.7463 -183758.4379 -149339.2703 298.7496 10.8215 42.6819 556732.1996 -0.7620 -0.9998 PRESSURE: 3081000 -56.9495 54.694 111.42 54.6942 268.126 -121.916 111.421 -121.915 -67.1591 GPRESSURE: 3081000 -69.5553 8.91325 201.569 73.6039 262.137 -116.747 33.9879 -97.0866 48.0091 PRESSAVG: 3081000 32.0764 -20.3257 35.108 -20.3257 60.2185 21.5623 35.1079 21.5622 -67.0061 GPRESSAVG: 3081000 30.5879 -19.5795 35.3425 -19.2401 61.1349 22.3805 34.8467 20.5437 -67.4343 TIMING: 3081000 CPU: 9278.63, 0.00302902/step Wall: 9278.63, 0.00302902/step, 1.61464 hours remaining, 209.257812 MB of memory in use. ENERGY: 3081000 741.3024 2061.9762 1942.7200 122.4164 -206555.4032 17974.4386 0.0000 0.0000 34132.2655 -149580.2841 298.0856 -183712.5496 -149481.5943 298.5497 48.0058 80.1969 558134.9168 8.4296 8.0962 PRESSURE: 3081200 287.688 66.7149 -94.3051 66.7153 -56.1802 87.5446 -94.3051 87.544 49.3 GPRESSURE: 3081200 349.089 91.4695 -102.133 55.7198 -64.2435 180.675 -46.5347 95.453 87.6867 PRESSAVG: 3081200 -60.3513 -5.95911 -7.76933 -5.95906 47.6786 25.5105 -7.76939 25.5106 45.5017 GPRESSAVG: 3081200 -57.7287 -5.97384 -8.33322 -8.26064 46.8458 27.9294 -6.70927 24.7996 44.2537 TIMING: 3081200 CPU: 9279.24, 0.00303589/step Wall: 9279.24, 0.00303589/step, 1.61813 hours remaining, 209.257812 MB of memory in use. ENERGY: 3081200 771.6948 2076.1760 1953.0445 111.9351 -206782.3268 17945.0427 0.0000 0.0000 34330.8616 -149593.5720 299.8200 -183924.4336 -149485.9852 298.4347 93.6027 124.1773 557230.4605 10.9430 11.1236 PRESSURE: 3081400 -172.898 178.597 -28.9824 178.597 218.451 -70.0184 -28.9824 -70.018 129.966 GPRESSURE: 3081400 -178.122 160.204 -75.0361 199.053 266.805 1.72104 -89.646 -150.418 187.188 PRESSAVG: 3081400 -4.1188 14.1729 -11.6361 14.173 -36.8114 -11.6857 -11.636 -11.6858 27.999 GPRESSAVG: 3081400 -4.76378 14.4637 -12.0275 14.712 -36.4469 -12.0826 -11.9177 -11.1496 28.0483 TIMING: 3081400 CPU: 9279.85, 0.00304931/step Wall: 9279.85, 0.00304931/step, 1.62511 hours remaining, 209.257812 MB of memory in use. ENERGY: 3081400 791.2478 2050.2434 1951.3395 120.8710 -206585.1298 17976.5159 0.0000 0.0000 34126.8141 -149568.0982 298.0380 -183694.9122 -149469.5324 298.8603 58.5060 91.9568 557894.8583 -4.3104 -4.3874 PRESSURE: 3081600 -49.6648 0.294264 31.1151 0.293023 -50.2134 44.7989 31.1145 44.7975 27.9201 GPRESSURE: 3081600 82.3745 -81.414 -8.10823 130.819 -43.4832 21.7189 127.59 31.8046 -21.5548 PRESSAVG: 3081600 -36.9751 -10.161 -4.68044 -10.1611 9.09671 -15.2765 -4.68041 -15.2765 18.8853 GPRESSAVG: 3081600 -37.8366 -11.1513 -4.84857 -8.84775 9.41281 -17.933 -3.03991 -13.5928 18.6957 TIMING: 3081600 CPU: 9280.46, 0.00304338/step Wall: 9280.46, 0.00304338/step, 1.62178 hours remaining, 209.257812 MB of memory in use. ENERGY: 3081600 758.4030 2146.3787 1929.7227 132.1756 -206664.4532 18047.5000 0.0000 0.0000 34074.3755 -149575.8978 297.5800 -183650.2732 -149487.2458 299.0355 -23.9860 5.7788 557513.4659 -2.9977 -3.2427 PRESSURE: 3081800 6.66695 92.1641 -151.093 92.1633 19.6421 183.447 -151.092 183.451 6.09016 GPRESSURE: 3081800 62.7535 170.329 -101.655 67.8808 52.1493 201.682 -228.493 158.447 15.8724 PRESSAVG: 3081800 -50.7461 4.92854 5.76562 4.92853 79.0997 18.6401 5.76562 18.6401 -26.6258 GPRESSAVG: 3081800 -50.6736 5.09008 5.63205 6.40245 79.0276 18.7148 5.07106 19.9404 -26.3828 TIMING: 3081800 CPU: 9281.07, 0.00306336/step Wall: 9281.07, 0.00306336/step, 1.63226 hours remaining, 209.257812 MB of memory in use. ENERGY: 3081800 757.7697 2083.3139 1941.4416 121.1475 -206732.5427 17996.7780 0.0000 0.0000 34280.6883 -149551.4038 299.3818 -183832.0921 -149449.3519 298.8027 10.7997 43.5917 556665.8940 0.5759 0.6571 PRESSURE: 3082000 -100.627 -157.381 -52.711 -157.382 157.151 -78.7311 -52.7123 -78.731 -101.819 GPRESSURE: 3082000 -40.1843 -116.217 -54.7022 -94.3645 158.41 -23.5811 -0.581212 -119.519 -58.7784 PRESSAVG: 3082000 -36.4098 14.336 -39.9749 14.336 38.04 -25.5859 -39.975 -25.5859 43.406 GPRESSAVG: 3082000 -36.9006 12.695 -39.0005 13.4741 38.6778 -21.5997 -40.1037 -27.9488 43.7544 TIMING: 3082000 CPU: 9281.68, 0.00306589/step Wall: 9281.68, 0.00306589/step, 1.63344 hours remaining, 209.257812 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: 3082000 727.2171 2098.3863 1926.3988 109.1512 -206298.1991 17696.2016 0.0000 0.0000 34056.0085 -149684.8355 297.4196 -183740.8441 -149586.6676 298.3540 -15.0985 19.8156 556895.9096 15.0121 15.1772 PRESSURE: 3082200 -195.861 -2.60634 -50.0099 -2.60675 79.5911 -17.155 -50.01 -17.154 -156.895 GPRESSURE: 3082200 -229.056 6.16225 -38.9351 20.7829 141.564 -101.66 -85.0708 -33.1046 -74.6532 PRESSAVG: 3082200 -38.2506 9.78808 32.5062 9.78805 9.74161 -43.077 32.5061 -43.077 20.9278 GPRESSAVG: 3082200 -37.8407 11.2374 33.725 8.47966 9.54547 -47.013 31.4514 -43.6683 21.0857 TIMING: 3082200 CPU: 9282.29, 0.00302844/step Wall: 9282.29, 0.00302844/step, 1.61332 hours remaining, 209.257812 MB of memory in use. ENERGY: 3082200 749.9979 2076.9966 1936.1452 103.3268 -206632.9817 17926.4314 0.0000 0.0000 33910.1519 -149929.9320 296.1458 -183840.0839 -149840.0032 297.1373 -91.0550 -54.0483 557477.3336 -2.5270 -2.4032 PRESSURE: 3082400 -106.013 79.0024 -40.9093 79.0027 -163.487 -35.9931 -40.9096 -35.9926 -91.3234 GPRESSURE: 3082400 -153.144 103.872 -76.6821 134.091 -62.0893 -7.45716 -61.5928 -16.1607 -48.3672 PRESSAVG: 3082400 -12.0025 8.44775 -42.7988 8.44782 19.4402 -9.26919 -42.7987 -9.26927 -37.8751 GPRESSAVG: 3082400 -10.9687 7.74094 -44.3651 9.54045 18.6097 -9.11836 -41.056 -7.47725 -37.6671 TIMING: 3082400 CPU: 9282.89, 0.00301609/step Wall: 9282.89, 0.00301609/step, 1.60657 hours remaining, 209.257812 MB of memory in use. ENERGY: 3082400 728.1775 2103.1569 1932.3096 114.9298 -206282.5048 17612.9257 0.0000 0.0000 33949.6508 -149841.3545 296.4907 -183791.0053 -149745.3413 296.6860 -120.2745 -87.8670 558401.2531 -10.1458 -10.0087 PRESSURE: 3082600 -171.878 122.754 140.132 122.753 -127.154 29.5813 140.131 29.5809 -31.051 GPRESSURE: 3082600 -136.545 137.532 165.801 95.0147 -134.034 35.1864 64.9686 -71.2799 35.6206 PRESSAVG: 3082600 19.4751 38.6865 -64.328 38.6863 -42.26 10.9474 -64.328 10.9474 27.8104 GPRESSAVG: 3082600 18.5775 39.142 -64.8843 38.2002 -40.567 12.0124 -66.5903 10.2732 26.9549 TIMING: 3082600 CPU: 9283.49, 0.00299482/step Wall: 9283.49, 0.00299482/step, 1.59508 hours remaining, 209.257812 MB of memory in use. ENERGY: 3082600 746.9700 2068.3740 1953.9445 103.7894 -206332.1340 17641.6164 0.0000 0.0000 34059.8435 -149757.5962 297.4531 -183817.4397 -149661.2513 297.5123 -110.0278 -78.3196 558654.5018 1.6752 1.6551 PRESSURE: 3082800 52.5287 192.575 42.8834 192.577 188.048 -12.1489 42.8836 -12.1503 44.1334 GPRESSURE: 3082800 66.9417 219.286 57.0932 145.079 219.587 -22.2486 53.7468 -4.6 105.726 PRESSAVG: 3082800 -102.846 71.4436 18.8269 71.4435 41.3981 -15.1833 18.827 -15.1834 9.70724 GPRESSAVG: 3082800 -102.699 72.19 20.142 71.3856 39.8862 -16.1917 19.0364 -14.69 10.6262 TIMING: 3082800 CPU: 9284.08, 0.00297327/step Wall: 9284.08, 0.00297327/step, 1.58343 hours remaining, 209.257812 MB of memory in use. ENERGY: 3082800 692.3487 2079.0293 1937.0854 117.6415 -206756.9081 18080.2234 0.0000 0.0000 34023.8813 -149826.6986 297.1390 -183850.5799 -149720.5836 297.6477 94.9033 130.7515 556999.5396 -17.2469 -17.3954 PRESSURE: 3083000 85.9765 79.4024 -128.645 79.4034 337.848 -17.2174 -128.645 -17.2184 472.672 GPRESSURE: 3083000 137.945 37.9348 -34.5501 89.8498 346.016 53.0742 -97.7151 -17.4121 495.536 PRESSAVG: 3083000 -6.02119 90.4861 27.0725 90.4862 28.3385 6.22237 27.0724 6.22243 19.6549 GPRESSAVG: 3083000 -6.59399 89.1595 27.2094 90.279 28.4126 7.39749 27.5483 5.33424 20.0197 TIMING: 3083000 CPU: 9284.69, 0.00300537/step Wall: 9284.69, 0.00300537/step, 1.60036 hours remaining, 209.257812 MB of memory in use. ENERGY: 3083000 745.4323 2048.8094 1955.0607 109.3754 -206860.6136 18214.8370 0.0000 0.0000 33946.2592 -149840.8397 296.4611 -183787.0988 -149741.5255 297.3298 298.8321 326.4988 555344.0470 13.9908 13.9461 PRESSURE: 3083200 66.959 -40.7298 -16.8378 -40.7285 -152.634 71.7302 -16.8388 71.73 293.693 GPRESSURE: 3083200 119.984 -30.2937 -11.3081 -55.2998 -66.6867 -7.36908 -1.32207 109.341 255.386 PRESSAVG: 3083200 -34.3542 62.6004 23.9384 62.6004 51.4393 17.8285 23.9385 17.8285 -42.1671 GPRESSAVG: 3083200 -33.8537 64.1456 22.6955 61.5842 50.6699 18.676 25.7624 17.3377 -41.7653 TIMING: 3083200 CPU: 9285.29, 0.00301691/step Wall: 9285.29, 0.00301691/step, 1.60634 hours remaining, 209.257812 MB of memory in use. ENERGY: 3083200 714.9300 2104.9072 1933.7563 122.7341 -206430.3393 17900.2271 0.0000 0.0000 33880.1200 -149773.6645 295.8835 -183653.7845 -149682.6425 297.0039 69.3392 102.8946 558771.8705 -8.3607 -8.3164 PRESSURE: 3083400 -112.871 150.496 -215.695 150.495 -111.024 -115.988 -215.695 -115.988 -97.2759 GPRESSURE: 3083400 -79.8841 92.5426 -264.553 161.034 -121.177 -129.838 -104.788 -75.8103 -22.8038 PRESSAVG: 3083400 -67.7742 36.2468 -49.336 36.2469 20.0758 -4.51855 -49.336 -4.51857 15.2941 GPRESSAVG: 3083400 -68.9725 35.0409 -47.7516 36.4487 21.2853 -6.78441 -49.5803 -2.56369 14.9577 TIMING: 3083400 CPU: 9285.88, 0.00298157/step Wall: 9285.88, 0.00298157/step, 1.58735 hours remaining, 209.257812 MB of memory in use. ENERGY: 3083400 741.1390 2012.6548 1962.9238 120.2041 -206393.5833 17616.6357 0.0000 0.0000 34286.6458 -149653.3801 299.4338 -183940.0259 -149554.5147 297.6554 -107.0568 -74.6217 557215.1038 -10.8014 -10.9098 PRESSURE: 3083600 -238.152 -153.161 147.677 -153.16 -51.8741 -179.973 147.677 -179.974 -196.505 GPRESSURE: 3083600 -198.242 -110.218 26.591 -246.283 0.776498 -151.612 165.745 -117.136 -193.496 PRESSAVG: 3083600 -21.3035 -35.1353 55.029 -35.1353 88.1174 -27.1059 55.0289 -27.1058 -37.1526 GPRESSAVG: 3083600 -21.0091 -35.0506 53.9646 -33.8933 87.3267 -25.7036 54.4752 -26.0261 -36.0521 TIMING: 3083600 CPU: 9286.48, 0.00298763/step Wall: 9286.48, 0.00298763/step, 1.59042 hours remaining, 209.257812 MB of memory in use. ENERGY: 3083600 761.8746 2054.1273 1959.0612 115.4627 -206188.7007 17603.2714 0.0000 0.0000 34118.7927 -149576.1110 297.9679 -183694.9037 -149479.4298 297.8093 -162.1770 -130.3206 558504.5461 9.8871 10.0885 PRESSURE: 3083800 -130.77 58.9013 99.223 58.9008 -17.8608 -132.001 99.2238 -132.001 43.5691 GPRESSURE: 3083800 -70.4952 47.049 114.783 132.128 24.8675 -134.974 102.407 -77.1815 38.9714 PRESSAVG: 3083800 -27.8572 -65.1608 23.4282 -65.1607 50.5747 -30.0007 23.4282 -30.0007 -0.163585 GPRESSAVG: 3083800 -27.29 -63.7145 22.4556 -65.126 51.1646 -30.7371 23.6625 -30.64 -0.912149 TIMING: 3083800 CPU: 9287.08, 0.00301167/step Wall: 9287.08, 0.00301167/step, 1.60304 hours remaining, 209.257812 MB of memory in use. ENERGY: 3083800 774.7459 2042.1739 1934.0869 115.7529 -206534.6302 17882.3647 0.0000 0.0000 34206.1645 -149579.3415 298.7309 -183785.5060 -149482.2482 297.7553 -35.0205 -2.2188 557325.9901 7.5180 7.6541 PRESSURE: 3084000 62.7737 -304.352 -14.8321 -304.351 -144.221 -89.8209 -14.8328 -89.8202 -20.3249 GPRESSURE: 3084000 43.1532 -337.342 -33.3094 -401.216 -87.0398 -60.4975 -39.3558 -72.7454 28.1485 PRESSAVG: 3084000 47.5976 -64.1221 45.5556 -64.1221 -15.9046 -45.805 45.5555 -45.805 -31.5167 GPRESSAVG: 3084000 47.6555 -64.9954 45.5315 -65.3647 -14.8429 -44.9352 46.0872 -47.1194 -32.6955 TIMING: 3084000 CPU: 9287.68, 0.00299703/step Wall: 9287.68, 0.00299703/step, 1.59509 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: 3084000 760.1323 2092.3775 1932.2503 103.8323 -206397.9243 17912.4156 0.0000 0.0000 34204.3123 -149392.6042 298.7148 -183596.9165 -149295.2417 298.9495 -33.9240 -5.2460 557589.4565 0.0587 0.0390 PRESSURE: 3084200 234.009 -146.705 121.157 -146.705 -8.24096 -68.6117 121.157 -68.6124 272.171 GPRESSURE: 3084200 276.442 -144.407 136.832 -163.522 40.8152 -14.3211 123.867 -78.6421 279.552 PRESSAVG: 3084200 -9.61079 -17.4289 40.8285 -17.4289 -38.7379 9.40273 40.8285 9.40263 68.6422 GPRESSAVG: 3084200 -8.55009 -15.7865 40.1079 -18.1129 -38.9913 7.32843 41.8957 10.9516 68.2469 TIMING: 3084200 CPU: 9288.28, 0.00299846/step Wall: 9288.28, 0.00299846/step, 1.59568 hours remaining, 209.492188 MB of memory in use. ENERGY: 3084200 766.1478 2032.4936 1922.9516 110.5133 -206666.6783 18013.1514 0.0000 0.0000 34351.9135 -149469.5071 300.0038 -183821.4206 -149366.0222 298.5838 165.9799 198.9365 554901.2799 6.7645 6.9018 LDB: ============= START OF LOAD BALANCING ============== 9291.8 LDB: ============== END OF LOAD BALANCING =============== 9291.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9291.8 LDB: ============= START OF LOAD BALANCING ============== 9292.11 LDB: Largest compute 4774 load 0.028601 is 24.2% of average load 0.118063 LDB: Average compute 0.001737 is 1.5% of average load 0.118063 LDB: TIME 9292.11 LOAD: AVG 0.118063 MAX 0.208408 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.77 MB LDB: TIME 9292.11 LOAD: AVG 0.118063 MAX 0.208408 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.973 MB LDB: TIME 9292.11 LOAD: AVG 0.118063 MAX 0.208408 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.973 MB LDB: ============== END OF LOAD BALANCING =============== 9292.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9292.12 PRESSURE: 3084400 128.92 35.6731 -113.196 35.6732 26.2809 -83.3727 -113.197 -83.3743 539.401 GPRESSURE: 3084400 183.329 94.7642 -135.562 -4.28257 59.6649 -137 -113.726 -1.69762 544.557 PRESSAVG: 3084400 -32.0519 -10.2004 12.308 -10.2004 -31.3447 -1.5777 12.308 -1.57762 78.1247 GPRESSAVG: 3084400 -32.9286 -12.1233 11.0063 -9.16125 -31.8683 -0.791557 12.6698 -1.72481 79.5218 TIMING: 3084400 CPU: 9288.9, 0.00307447/step Wall: 9288.9, 0.00307447/step, 1.63596 hours remaining, 209.199219 MB of memory in use. ENERGY: 3084400 748.3303 2048.8505 1935.6964 112.7940 -206412.7729 17913.4825 0.0000 0.0000 34333.6275 -149319.9917 299.8441 -183653.6192 -149225.6424 298.9684 231.5338 262.5170 556382.4810 4.9094 4.9083 PRESSURE: 3084600 222.953 -124.285 -177.125 -124.284 77.9302 -87.362 -177.126 -87.3598 -16.5958 GPRESSURE: 3084600 238.322 -176.801 -177.496 -27.8328 178.293 -127.884 -196.497 8.94601 -39.6749 PRESSAVG: 3084600 0.459422 7.0828 -11.9516 7.08289 -15.0816 -4.03173 -11.9517 -4.03169 53.8432 GPRESSAVG: 3084600 0.897418 7.79892 -11.6965 6.86947 -15.5069 -2.55015 -10.5077 -5.46941 53.9116 TIMING: 3084600 CPU: 9289.5, 0.00301224/step Wall: 9289.5, 0.00301224/step, 1.60268 hours remaining, 209.199219 MB of memory in use. ENERGY: 3084600 723.0282 2070.7626 1916.4979 123.1317 -206449.5672 17983.2752 0.0000 0.0000 34385.5698 -149247.3019 300.2977 -183632.8717 -149151.5283 299.1696 94.7624 125.6468 557800.6944 13.0737 13.1007 PRESSURE: 3084800 55.5346 -37.1026 138.982 -37.1022 -56.4288 -106.97 138.982 -106.971 -58.3879 GPRESSURE: 3084800 -31.016 -105.549 167.168 14.3874 38.0207 -174.575 146.568 -81.9648 38.504 PRESSAVG: 3084800 -18.7905 11.5693 -21.3273 11.5692 68.659 -55.7324 -21.3273 -55.7325 -36.7758 GPRESSAVG: 3084800 -19.0036 12.1864 -19.8932 12.0983 68.1372 -55.8522 -22.9147 -55.5212 -36.7572 TIMING: 3084800 CPU: 9290.1, 0.00298784/step Wall: 9290.1, 0.00298784/step, 1.58953 hours remaining, 209.199219 MB of memory in use. ENERGY: 3084800 719.2752 2129.9170 1937.2957 108.5868 -206033.3676 17700.7169 0.0000 0.0000 34418.3098 -149019.2662 300.5837 -183437.5759 -148927.9560 299.6341 -19.7607 15.1696 557704.9732 4.3642 4.1254 PRESSURE: 3085000 -275.318 -11.8379 30.1825 -11.8377 91.9257 -70.8188 30.1818 -70.818 57.7697 GPRESSURE: 3085000 -195.928 18.4689 71.1076 36.9771 136.387 -55.4017 -16.5972 -83.1977 25.4366 PRESSAVG: 3085000 -40.4858 -45.662 21.3091 -45.6619 -21.8955 -32.2885 21.309 -32.2885 53.7812 GPRESSAVG: 3085000 -39.4895 -47.5057 22.0012 -44.7598 -22.4455 -32.1022 21.1412 -32.2162 52.7596 TIMING: 3085000 CPU: 9290.71, 0.00304843/step Wall: 9290.71, 0.00304843/step, 1.6216 hours remaining, 209.199219 MB of memory in use. ENERGY: 3085000 787.1840 2009.5018 1927.3369 122.6078 -205988.6946 17729.3128 0.0000 0.0000 34362.3509 -149050.4005 300.0950 -183412.7514 -148947.8843 299.6705 -41.8742 -11.3680 557564.9322 -2.8667 -3.0585 PRESSURE: 3085200 -270.25 -71.1356 43.1519 -71.1347 -127.126 -24.6653 43.153 -24.6659 -298.583 GPRESSURE: 3085200 -196.892 -145.6 17.7954 -85.8066 -115.451 -7.7462 76.0937 -80.1023 -286.41 PRESSAVG: 3085200 4.9851 -33.6088 -5.34886 -33.6089 50.8573 -15.8692 -5.34894 -15.8692 -37.4481 GPRESSAVG: 3085200 4.30242 -33.0328 -7.39381 -34.1257 52.1145 -16.0806 -3.38473 -14.1952 -37.689 TIMING: 3085200 CPU: 9291.31, 0.00302697/step Wall: 9291.31, 0.00302697/step, 1.61001 hours remaining, 209.199219 MB of memory in use. ENERGY: 3085200 738.8102 2062.1257 1944.3859 124.1887 -205799.3242 17550.7073 0.0000 0.0000 34322.1061 -149057.0003 299.7435 -183379.1064 -148965.4910 299.8081 -231.9864 -199.5844 559039.2206 6.1314 6.2427 PRESSURE: 3085400 259.848 -3.96877 -84.8033 -3.96942 -138.357 -85.1374 -84.8023 -85.1355 187.352 GPRESSURE: 3085400 286.639 8.57023 -51.3207 53.3103 -103.844 -77.0502 -74.3851 -146.473 214.243 PRESSAVG: 3085400 -10.5139 -77.0117 21.8171 -77.0117 4.80245 30.9523 21.8171 30.9523 23.5388 GPRESSAVG: 3085400 -9.93977 -77.6319 22.6546 -75.8337 4.26385 30.3696 19.7864 28.5045 23.4594 TIMING: 3085400 CPU: 9291.92, 0.00300605/step Wall: 9291.92, 0.00300605/step, 1.59872 hours remaining, 209.199219 MB of memory in use. ENERGY: 3085400 716.1905 2119.1418 1910.5305 113.0441 -206185.7638 17926.6907 0.0000 0.0000 34355.4510 -149044.7152 300.0347 -183400.1661 -148947.1159 299.2655 102.9475 132.3459 558580.8443 5.9424 5.9278 PRESSURE: 3085600 62.9583 -80.5798 -128.929 -80.5803 20.6439 56.9672 -128.928 56.9667 -48.2362 GPRESSURE: 3085600 111.468 -36.9815 -193.462 -49.3697 41.6674 87.6473 23.825 -1.07236 -35.3279 PRESSAVG: 3085600 6.45655 29.722 8.77901 29.722 26.5537 0.0225687 8.77903 0.0226053 8.8041 GPRESSAVG: 3085600 4.93572 29.9417 9.84586 30.9341 26.6695 1.11689 7.63337 0.981281 10.9189 TIMING: 3085600 CPU: 9292.51, 0.00298712/step Wall: 9292.51, 0.00298712/step, 1.58848 hours remaining, 209.199219 MB of memory in use. ENERGY: 3085600 695.3817 2078.9929 1924.3894 120.3824 -205943.4958 17818.3884 0.0000 0.0000 34183.6480 -149122.3130 298.5343 -183305.9610 -149027.4312 299.2352 11.7886 39.2692 559931.4061 13.9381 14.1747 PRESSURE: 3085800 332.809 148.437 -19.5882 148.436 -33.757 62.7392 -19.5876 62.7394 141.002 GPRESSURE: 3085800 350.45 121.391 19.6277 166.41 -41.6104 82.0143 -57.1196 56.2432 227.951 PRESSAVG: 3085800 47.2247 -6.70397 5.17361 -6.70391 3.48777 20.1764 5.17349 20.1764 -38.9716 GPRESSAVG: 3085800 47.9815 -6.5635 5.97513 -8.71974 4.00727 22.2532 5.25371 18.7547 -40.1842 TIMING: 3085800 CPU: 9293.11, 0.00299116/step Wall: 9293.11, 0.00299116/step, 1.59046 hours remaining, 209.199219 MB of memory in use. ENERGY: 3085800 733.2139 2171.0503 1954.9763 107.7406 -206054.2149 17895.4346 0.0000 0.0000 34080.8035 -149110.9958 297.6361 -183191.7993 -149018.5926 299.3578 146.6849 178.9302 560298.7124 3.9136 3.9349 PRESSURE: 3086000 -224.862 -124.245 -39.7748 -124.244 39.0495 8.91379 -39.7741 8.91205 -83.6113 GPRESSURE: 3086000 -206.845 -92.9831 -82.9239 -94.7438 72.8389 -22.8381 14.6692 -31.1546 -41.3862 PRESSAVG: 3086000 -5.50342 -3.15628 3.53429 -3.15632 0.266505 13.1386 3.5342 13.1385 -23.3823 GPRESSAVG: 3086000 -5.81169 -2.06791 3.2672 -3.82812 0.573629 9.0685 4.36645 14.8255 -23.2034 TIMING: 3086000 CPU: 9293.71, 0.00298297/step Wall: 9293.71, 0.00298297/step, 1.58595 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: 3086000 714.0691 2111.4902 1925.1973 113.7033 -206143.2873 17754.0020 0.0000 0.0000 34275.2305 -149249.5950 299.3341 -183524.8255 -149154.3194 298.9394 -89.8080 -58.4642 559872.8415 -9.5397 -9.4805 PRESSURE: 3086200 -139.403 43.4228 110.021 43.4222 -274.871 -44.6661 110.021 -44.6651 -339.86 GPRESSURE: 3086200 -122.335 67.2908 64.9505 75.986 -246.604 -9.90374 143.305 -88.1853 -283.45 PRESSAVG: 3086200 -20.4352 -38.2311 -9.13973 -38.2311 25.0325 -52.8972 -9.13983 -52.8971 -28.2405 GPRESSAVG: 3086200 -19.9181 -39.7904 -10.2072 -36.976 23.774 -51.4685 -9.01364 -52.0981 -27.4928 TIMING: 3086200 CPU: 9294.31, 0.00300016/step Wall: 9294.31, 0.00300016/step, 1.59492 hours remaining, 209.199219 MB of memory in use. ENERGY: 3086200 812.8404 2082.3781 1940.6500 110.9653 -206133.6412 17583.7917 0.0000 0.0000 34232.8578 -149370.1578 298.9641 -183603.0156 -149274.9485 299.2323 -251.3782 -217.4630 558135.4247 -7.8811 -7.8790 PRESSURE: 3086400 148.476 -0.865719 9.68032 -0.865955 131.264 47.3482 9.68049 47.3476 179.911 GPRESSURE: 3086400 191.492 30.3566 -64.4316 13.0995 155.39 67.7297 19.4674 56.4763 221.186 PRESSAVG: 3086400 61.6925 -8.38386 -19.815 -8.38376 38.2765 -46.1331 -19.815 -46.1332 -84.0211 GPRESSAVG: 3086400 61.5969 -5.54804 -20.2516 -8.51178 38.2304 -45.734 -19.2466 -46.6081 -84.3088 TIMING: 3086400 CPU: 9294.91, 0.00302148/step Wall: 9294.91, 0.00302148/step, 1.60608 hours remaining, 209.593750 MB of memory in use. ENERGY: 3086400 738.8036 2150.4250 1935.5083 116.5934 -206239.4040 17936.6213 0.0000 0.0000 34169.6305 -149191.8218 298.4119 -183361.4523 -149090.8474 299.1571 153.2172 189.3560 556329.6299 5.3160 5.1728 PRESSURE: 3086600 -74.2153 -140.238 19.6139 -140.238 133.437 -20.4336 19.6137 -20.4342 73.6823 GPRESSURE: 3086600 -98.2469 -158.541 47.2747 -98.5654 148.489 -8.14307 22.4409 -9.6075 168.727 PRESSAVG: 3086600 -26.0531 -24.7856 -3.63728 -24.7857 34.0569 -13.6472 -3.63726 -13.6472 -28.8995 GPRESSAVG: 3086600 -26.5724 -27.7264 -3.10825 -25.9121 34.3411 -13.965 -6.80607 -14.2133 -28.9702 TIMING: 3086600 CPU: 9295.51, 0.00300928/step Wall: 9295.51, 0.00300929/step, 1.59944 hours remaining, 209.593750 MB of memory in use. ENERGY: 3086600 755.0637 2097.2518 1924.7103 117.1799 -206167.5662 17859.9254 0.0000 0.0000 34327.2977 -149086.1373 299.7888 -183413.4351 -148993.3115 299.6244 44.3014 72.9896 557390.4748 -6.9652 -7.0672 PRESSURE: 3086800 -16.4665 -44.9894 -174.549 -44.9892 -288.638 24.5336 -174.55 24.533 -77.4159 GPRESSURE: 3086800 32.595 -20.349 -129.893 -67.4359 -248.122 25.7142 -99.0459 32.0265 -61.9243 PRESSAVG: 3086800 -60.4559 15.451 -56.1388 15.451 116.149 -55.8093 -56.1388 -55.8093 -56.0684 GPRESSAVG: 3086800 -58.7378 16.6829 -55.3512 16.3001 115.394 -54.9329 -51.5856 -54.5783 -57.5175 TIMING: 3086800 CPU: 9296.12, 0.00302279/step Wall: 9296.12, 0.00302279/step, 1.60644 hours remaining, 209.593750 MB of memory in use. ENERGY: 3086800 786.5388 2072.7686 1933.3104 108.2549 -206169.4660 17611.6585 0.0000 0.0000 34375.4742 -149281.4606 300.2096 -183656.9348 -149180.4594 298.9450 -127.5067 -92.4839 557110.8482 -0.1251 -0.2873 PRESSURE: 3087000 -273.834 85.6955 67.953 85.6961 -363.777 29.3095 67.9528 29.3105 -174.255 GPRESSURE: 3087000 -233.015 19.2597 49.3918 115.779 -355.804 -9.58527 106.89 28.4124 -128.981 PRESSAVG: 3087000 59.9544 4.68131 -42.2755 4.68126 -51.3311 -3.06702 -42.2756 -3.06709 20.5258 GPRESSAVG: 3087000 58.7211 3.44317 -42.1315 3.3888 -50.8153 -2.69566 -45.29 -5.10422 21.1542 TIMING: 3087000 CPU: 9296.72, 0.00300691/step Wall: 9296.72, 0.00300691/step, 1.59784 hours remaining, 209.593750 MB of memory in use. ENERGY: 3087000 734.8375 2093.8371 1936.5776 100.5817 -205662.7378 17377.5797 0.0000 0.0000 34241.4422 -149177.8823 299.0390 -183419.3244 -149077.7100 298.9382 -270.6220 -239.2667 559175.6071 9.7163 9.6867 PRESSURE: 3087200 241.252 9.31663 -19.9078 9.3166 21.9849 -13.5334 -19.9081 -13.536 5.07309 GPRESSURE: 3087200 248.107 36.6437 -16.5933 -14.8722 71.8142 1.80789 -22.8125 -18.1036 54.6178 PRESSAVG: 3087200 3.18193 14.0447 -9.59337 14.0448 -94.4159 -66.8636 -9.59324 -66.8636 -2.83897 GPRESSAVG: 3087200 3.15185 13.6124 -8.29739 17.3934 -94.243 -65.7563 -9.02033 -65.6736 -2.82469 TIMING: 3087200 CPU: 9297.33, 0.00304993/step Wall: 9297.33, 0.00304993/step, 1.62053 hours remaining, 209.593750 MB of memory in use. ENERGY: 3087200 744.6160 2155.7526 1914.3504 120.7690 -205908.9052 17742.4170 0.0000 0.0000 34216.1339 -149014.8661 298.8180 -183231.0000 -148925.0146 299.3688 89.4365 124.8464 557379.0731 -31.3577 -31.3053 PRESSURE: 3087400 27.0742 -83.6229 147.414 -83.6232 84.9352 20.5134 147.414 20.5143 -49.3014 GPRESSURE: 3087400 40.1895 -54.4937 182.63 -150.265 161 37.5118 144.438 50.6314 -43.6697 PRESSAVG: 3087400 25.2342 -21.1128 -40.4558 -21.1127 -34.6886 9.59595 -40.4556 9.59593 -18.3163 GPRESSAVG: 3087400 26.1192 -19.5933 -40.1446 -21.991 -35.3629 9.89278 -38.7673 8.06366 -18.4911 TIMING: 3087400 CPU: 9297.93, 0.00301321/step Wall: 9297.93, 0.00301321/step, 1.60085 hours remaining, 209.593750 MB of memory in use. ENERGY: 3087400 734.1170 2067.4517 1932.8528 122.5183 -205713.5309 17551.0487 0.0000 0.0000 34233.6457 -149071.8967 298.9709 -183305.5424 -148967.5426 299.3411 20.9027 52.5067 555496.0097 -9.2569 -9.2449 PRESSURE: 3087600 -63.0919 34.7668 -22.905 34.766 -88.7186 19.8542 -22.9043 19.8554 -175.864 GPRESSURE: 3087600 -78.1877 51.2052 -62.3861 -20.5705 -55.4968 -60.9357 -31.186 43.7049 -97.3385 PRESSAVG: 3087600 27.5455 -18.6814 -14.4772 -18.6813 15.1088 22.1018 -14.4772 22.1018 -24.2934 GPRESSAVG: 3087600 26.3847 -19.495 -15.4639 -17.7781 15.4296 21.0821 -15.0792 20.8142 -23.448 TIMING: 3087600 CPU: 9298.53, 0.00301234/step Wall: 9298.53, 0.00301234/step, 1.60022 hours remaining, 209.593750 MB of memory in use. ENERGY: 3087600 741.1948 2110.2676 1904.7326 101.8165 -205895.6795 17672.0350 0.0000 0.0000 34268.0122 -149097.6208 299.2711 -183365.6330 -149001.4174 299.8745 -109.2248 -77.0077 558351.1611 6.1203 6.1221 PRESSURE: 3087800 -270.74 -33.8284 75.8913 -33.8286 -39.7808 6.73115 75.8895 6.73156 -146.255 GPRESSURE: 3087800 -236.638 -39.7403 74.2734 -73.878 -20.8353 -4.04436 22.9411 18.9757 -83.9057 PRESSAVG: 3087800 17.2731 -35.1728 28.6191 -35.173 50.1187 -61.2388 28.6191 -61.2388 -37.7444 GPRESSAVG: 3087800 16.9582 -33.6993 29.1777 -36.346 50.9824 -60.3804 27.9596 -59.5243 -38.4018 TIMING: 3087800 CPU: 9299.14, 0.00302869/step Wall: 9299.14, 0.00302869/step, 1.60874 hours remaining, 209.593750 MB of memory in use. ENERGY: 3087800 718.6621 2086.5630 1958.7560 114.7198 -205805.2877 17469.8781 0.0000 0.0000 34334.6400 -149122.0687 299.8530 -183456.7088 -149023.7261 300.4269 -152.2587 -113.7929 558363.1796 9.8825 9.8463 PRESSURE: 3088000 73.2793 64.3183 -52.8342 64.318 -114.719 120.943 -52.8353 120.942 -64.2012 GPRESSURE: 3088000 111.511 88.5826 -1.94827 30.9766 -103.903 225.496 -51.714 145.433 -18.5792 PRESSAVG: 3088000 -38.4246 10.2011 -34.0629 10.201 -29.1598 28.0152 -34.0629 28.0151 20.9842 GPRESSAVG: 3088000 -38.9574 8.17822 -35.0462 9.57488 -28.9147 24.681 -33.2904 29.8099 21.4742 TIMING: 3088000 CPU: 9299.75, 0.00302849/step Wall: 9299.75, 0.00302849/step, 1.60847 hours remaining, 209.593750 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: 3088000 756.3212 2149.0100 1931.6333 121.2217 -205998.1378 17756.0041 0.0000 0.0000 34252.7101 -149031.2373 299.1374 -183283.9474 -148936.7487 299.4015 -35.2137 -3.6572 557929.4228 -15.5334 -15.4660 PRESSURE: 3088200 90.251 -12.5606 -107.529 -12.5604 -229.103 130.537 -107.53 130.538 -163.972 GPRESSURE: 3088200 86.6667 51.6114 -97.4562 -22.3008 -223.491 116.739 -159.215 190.185 -70.9351 PRESSAVG: 3088200 95.7249 34.3074 -68.8629 34.3074 -40.5252 -9.47498 -68.863 -9.47494 -56.6651 GPRESSAVG: 3088200 97.333 34.6039 -66.8407 35.764 -41.9008 -7.41034 -69.8765 -10.5399 -57.2198 TIMING: 3088200 CPU: 9300.35, 0.00301157/step Wall: 9300.35, 0.00301157/step, 1.59931 hours remaining, 209.593750 MB of memory in use. ENERGY: 3088200 771.0756 2162.3199 1932.4814 116.3410 -206199.4321 17752.2043 0.0000 0.0000 34324.3463 -149140.6637 299.7631 -183465.0099 -149038.3527 299.7750 -100.9412 -69.2533 557979.7270 -0.4885 -0.5958 LDB: ============= START OF LOAD BALANCING ============== 9303.87 LDB: ============== END OF LOAD BALANCING =============== 9303.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9303.87 LDB: ============= START OF LOAD BALANCING ============== 9304.18 LDB: Largest compute 4774 load 0.030160 is 25.6% of average load 0.117997 LDB: Average compute 0.001748 is 1.5% of average load 0.117997 LDB: TIME 9304.18 LOAD: AVG 0.117997 MAX 0.212537 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.938 MB LDB: TIME 9304.18 LOAD: AVG 0.117997 MAX 0.212537 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.938 MB LDB: TIME 9304.18 LOAD: AVG 0.117997 MAX 0.212537 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.938 MB LDB: ============== END OF LOAD BALANCING =============== 9304.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9304.18 PRESSURE: 3088400 -32.3952 3.63759 93.6739 3.63774 111.982 -119.1 93.674 -119.101 -106.577 GPRESSURE: 3088400 -13.4144 11.1967 45.311 -35.4397 171.056 -124.066 121.941 -91.6489 -94.582 PRESSAVG: 3088400 -29.7446 -29.0124 41.1716 -29.0123 45.7127 0.173626 41.1717 0.173669 -32.4216 GPRESSAVG: 3088400 -30.2866 -30.275 38.2316 -29.4655 45.8754 -0.025054 42.2803 0.849354 -31.609 TIMING: 3088400 CPU: 9300.97, 0.00310032/step Wall: 9300.97, 0.00310032/step, 1.64627 hours remaining, 211.828125 MB of memory in use. ENERGY: 3088400 755.3966 2090.5462 1946.5883 101.0429 -206072.4915 17761.6410 0.0000 0.0000 34283.7858 -149133.4907 299.4088 -183417.2764 -149033.7736 300.3233 -8.9970 21.0198 557350.6510 -5.4845 -5.3401 PRESSURE: 3088600 309.877 -72.0381 -40.5711 -72.0387 46.4192 -147.715 -40.5697 -147.715 -26.1023 GPRESSURE: 3088600 305.017 -85.5903 -23.7317 -3.98016 -4.49445 -50.3091 -126.997 -197.469 130.09 PRESSAVG: 3088600 38.048 -29.473 -24.876 -29.4729 0.00213765 -36.57 -24.8759 -36.5701 14.7019 GPRESSAVG: 3088600 37.3422 -25.9655 -24.9146 -30.465 0.271845 -35.5267 -24.8176 -37.8339 14.9338 TIMING: 3088600 CPU: 9301.57, 0.00301868/step Wall: 9301.57, 0.00301868/step, 1.60275 hours remaining, 211.839844 MB of memory in use. ENERGY: 3088600 738.2219 2158.2331 1936.7801 111.2832 -206244.5262 17990.1635 0.0000 0.0000 34229.9585 -149079.8859 298.9387 -183309.8444 -148978.5794 299.5104 110.0645 143.5377 558111.1965 17.5840 17.5159 PRESSURE: 3088800 14.1806 -25.8055 78.7778 -25.8053 -168.004 84.983 78.7779 84.9816 -48.2187 GPRESSURE: 3088800 43.7052 -55.2722 41.6759 53.874 -99.2562 0.125669 101.748 114.482 -43.2598 PRESSAVG: 3088800 22.505 -23.1008 7.51436 -23.1007 -6.61984 -26.7977 7.51433 -26.7977 10.4395 GPRESSAVG: 3088800 23.7076 -24.4519 9.27085 -21.8422 -6.46008 -27.6524 5.72094 -26.6218 9.26278 TIMING: 3088800 CPU: 9302.17, 0.0030093/step Wall: 9302.17, 0.0030093/step, 1.5976 hours remaining, 211.839844 MB of memory in use. ENERGY: 3088800 770.4321 2120.5447 1951.2786 99.7903 -206239.4833 17798.1793 0.0000 0.0000 34296.8106 -149202.4479 299.5226 -183499.2585 -149108.3744 299.5662 -67.3474 -32.9370 557736.0729 8.7749 8.8368 PRESSURE: 3089000 302.053 91.2885 -76.8895 91.2901 117.778 6.34796 -76.8904 6.34916 8.9052 GPRESSURE: 3089000 298.066 86.0826 -50.0978 133.406 179.425 82.813 -133.683 -23.05 48.8439 PRESSAVG: 3089000 45.5145 28.967 -8.31269 28.967 -64.0091 -4.49331 -8.31277 -4.49328 -1.1782 GPRESSAVG: 3089000 43.8215 29.5177 -9.38624 27.9974 -63.4591 -3.97092 -6.08069 -5.80468 0.183442 TIMING: 3089000 CPU: 9302.78, 0.00301284/step Wall: 9302.78, 0.00301284/step, 1.59932 hours remaining, 211.839844 MB of memory in use. ENERGY: 3089000 735.0580 2088.0479 1911.8233 118.1605 -205987.9491 17766.3863 0.0000 0.0000 34076.3027 -149292.1705 297.5968 -183368.4732 -149201.2530 299.1506 142.9122 175.4449 556959.0676 -6.5576 -6.4847 PRESSURE: 3089200 165.526 60.9765 69.0339 60.9767 115.05 150.193 69.0354 150.192 38.656 GPRESSURE: 3089200 227.421 55.7537 -13.699 111.259 103.74 119.141 15.2096 166.21 71.964 PRESSAVG: 3089200 -14.5139 43.3907 19.7693 43.3907 -22.0721 66.3162 19.7692 66.3161 62.1656 GPRESSAVG: 3089200 -13.1427 42.3745 20.6279 43.6798 -23.8442 66.8901 19.4854 65.8803 62.7342 TIMING: 3089200 CPU: 9303.38, 0.00299548/step Wall: 9303.38, 0.00299548/step, 1.58993 hours remaining, 211.839844 MB of memory in use. ENERGY: 3089200 740.9210 2020.5185 1948.7744 122.6696 -206335.9168 18030.8631 0.0000 0.0000 34199.9795 -149272.1907 298.6769 -183472.1702 -149181.0598 298.7450 106.4106 134.3750 557857.6504 8.5265 8.5824 PRESSURE: 3089400 -343.605 73.4895 -22.5967 73.4883 -228.351 28.8413 -22.5966 28.8416 -272.144 GPRESSURE: 3089400 -325.74 23.4311 -50.619 65.4233 -230.81 27.0943 113.663 -0.848812 -190.368 PRESSAVG: 3089400 -35.3963 9.53507 -42.351 9.53508 27.3659 4.53752 -42.351 4.53765 35.0108 GPRESSAVG: 3089400 -35.9776 9.13274 -42.2427 10.8999 28.1528 4.22112 -43.6055 7.07796 34.6997 TIMING: 3089400 CPU: 9303.98, 0.00299687/step Wall: 9303.98, 0.00299687/step, 1.5905 hours remaining, 211.910156 MB of memory in use. ENERGY: 3089400 766.5292 2110.1841 1891.6864 103.4713 -205854.2797 17515.2090 0.0000 0.0000 34236.2457 -149230.9540 298.9936 -183467.1997 -149137.1761 299.1860 -281.3665 -248.9730 557762.9953 8.9935 8.9583 PRESSURE: 3089600 -24.6992 3.92678 21.5399 3.92664 -320.785 64.7303 21.5393 64.7303 313.355 GPRESSURE: 3089600 39.486 -9.93787 -12.9018 -3.18926 -325.528 -30.6265 2.68756 159.203 362.432 PRESSAVG: 3089600 54.3378 11.6797 15.4583 11.6797 -33.6107 66.7773 15.4584 66.7774 -3.73282 GPRESSAVG: 3089600 54.4767 12.7473 16.017 8.30837 -34.068 64.8133 16.2738 67.141 -2.9651 TIMING: 3089600 CPU: 9304.58, 0.00300217/step Wall: 9304.58, 0.00300217/step, 1.59315 hours remaining, 211.910156 MB of memory in use. ENERGY: 3089600 766.0014 2078.1696 1916.5236 115.2883 -205822.3059 17684.9882 0.0000 0.0000 34093.6243 -149167.7105 297.7481 -183261.3348 -149066.5779 299.4095 -10.7098 25.4632 558005.9305 5.6647 5.8145 PRESSURE: 3089800 -41.1382 -166.084 -13.1983 -166.084 78.7395 85.7905 -13.1995 85.7888 -91.6454 GPRESSURE: 3089800 -46.643 -112.605 9.50603 -122.601 121.54 -12.2695 -73.2522 186.366 -32.9084 PRESSAVG: 3089800 10.9855 33.2205 2.90933 33.2205 -63.7213 -6.49004 2.90939 -6.49004 73.1331 GPRESSAVG: 3089800 11.4518 32.0691 1.16969 35.3197 -62.8723 -3.85131 2.13958 -9.93439 71.9067 TIMING: 3089800 CPU: 9305.18, 0.003014/step Wall: 9305.18, 0.003014/step, 1.59926 hours remaining, 211.910156 MB of memory in use. ENERGY: 3089800 706.9523 2130.9963 1929.4355 103.0391 -206135.4777 17658.7184 0.0000 0.0000 34268.7098 -149337.6263 299.2772 -183606.3361 -149239.2465 299.3208 -18.0147 13.9961 556131.9477 6.7991 6.8287 PRESSURE: 3090000 17.2165 -102.832 -71.0946 -102.831 -134.091 17.6629 -71.0947 17.6639 6.49797 GPRESSURE: 3090000 -13.0669 -84.1679 -46.6503 -59.2616 -81.1018 70.1871 -144.072 -8.3214 82.915 PRESSAVG: 3090000 14.2397 44.2168 -64.9905 44.2168 -27.6602 -51.3611 -64.9905 -51.361 -10.461 GPRESSAVG: 3090000 14.6858 44.2004 -63.7853 44.3571 -27.601 -50.1659 -64.2237 -49.1518 -10.3027 TIMING: 3090000 CPU: 9305.78, 0.00299652/step Wall: 9305.78, 0.00299652/step, 1.58982 hours remaining, 211.910156 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: 3090000 759.7533 2039.3712 1956.0927 102.5547 -206386.7859 17746.8754 0.0000 0.0000 34215.1890 -149566.9496 298.8098 -183782.1387 -149471.3581 298.9421 -36.7922 -3.7512 556454.2984 -7.9605 -7.7393 PRESSURE: 3090200 -41.3133 77.8011 74.7181 77.7994 -99.6383 121.807 74.7182 121.805 -125.254 GPRESSURE: 3090200 -12.1457 63.0499 121.508 176.895 -67.942 168.197 -25.016 136.33 -88.2785 PRESSAVG: 3090200 -11.1284 -8.12579 8.93376 -8.12575 -64.7255 58.5577 8.93374 58.5577 0.538756 GPRESSAVG: 3090200 -11.4364 -7.55037 8.08617 -8.66635 -65.2991 56.5041 9.05448 59.8133 0.348092 TIMING: 3090200 CPU: 9306.37, 0.00298487/step Wall: 9306.37, 0.00298487/step, 1.58347 hours remaining, 211.910156 MB of memory in use. ENERGY: 3090200 726.9071 2048.7975 1949.6166 104.2546 -206376.5135 17908.7607 0.0000 0.0000 33979.3842 -149658.7928 296.7504 -183638.1770 -149563.5312 297.7216 -88.7351 -56.1220 559038.8554 -25.1050 -25.4625 PRESSURE: 3090400 -95.1397 43.3027 -132.721 43.3028 151.135 -120.275 -132.721 -120.274 -48.7214 GPRESSURE: 3090400 -123.17 87.1567 -177.043 -20.2414 254.678 -189.103 -109.215 -193.968 -24.244 PRESSAVG: 3090400 -74.3084 -14.8859 13.8079 -14.8859 42.9949 40.236 13.8078 40.2359 37.5712 GPRESSAVG: 3090400 -74.2068 -15.2262 14.3817 -14.8907 42.6599 39.518 13.7641 38.3467 37.7651 TIMING: 3090400 CPU: 9306.98, 0.00301137/step Wall: 9306.98, 0.00301137/step, 1.59737 hours remaining, 211.910156 MB of memory in use. ENERGY: 3090400 772.3926 2069.5229 1939.5267 108.4426 -206766.5460 18095.0508 0.0000 0.0000 34092.4901 -149689.1202 297.7382 -183781.6103 -149593.3477 298.0930 2.4246 35.7548 556036.9591 2.0859 2.0727 PRESSURE: 3090600 -320.766 -127.619 -145.232 -127.62 -281.824 110.73 -145.232 110.731 122.75 GPRESSURE: 3090600 -322.102 -65.2425 -164.126 -173.569 -257.956 128.188 -173.174 43.5535 187.648 PRESSAVG: 3090600 -19.2048 -9.35229 -47.1872 -9.35228 25.2915 -9.85225 -47.1872 -9.8522 4.73094 GPRESSAVG: 3090600 -19.7445 -8.41577 -47.1584 -9.96272 25.2357 -7.68689 -45.1531 -8.39241 5.82522 TIMING: 3090600 CPU: 9307.57, 0.00298556/step Wall: 9307.57, 0.00298556/step, 1.58351 hours remaining, 211.910156 MB of memory in use. ENERGY: 3090600 753.3294 2012.3525 1934.3924 107.6942 -206157.4653 17653.2606 0.0000 0.0000 34119.0394 -149577.3967 297.9701 -183696.4362 -149479.2521 298.3262 -159.9466 -130.8037 557579.1548 3.6059 3.7721 PRESSURE: 3090800 143.639 -145.621 -20.7116 -145.621 -124.132 32.3008 -20.7127 32.3008 81.2185 GPRESSURE: 3090800 163.467 -113.036 -43.7539 -176.09 -117.298 -19.864 86.0733 67.8044 148.896 PRESSAVG: 3090800 -40.3351 -18.3252 9.30617 -18.3251 -24.4926 9.39334 9.30616 9.39333 99.8232 GPRESSAVG: 3090800 -39.7323 -19.4968 9.19764 -17.2063 -23.5793 10.1679 6.91082 8.98902 97.9166 TIMING: 3090800 CPU: 9308.18, 0.00300782/step Wall: 9308.18, 0.00300782/step, 1.59515 hours remaining, 211.910156 MB of memory in use. ENERGY: 3090800 737.9666 2062.7112 1959.0496 107.9541 -206662.2644 17916.2930 0.0000 0.0000 34344.1743 -149534.1157 299.9362 -183878.2899 -149431.2986 298.4977 33.5750 65.0216 557257.8807 11.6652 11.5350 PRESSURE: 3091000 108.559 -41.5556 -177.82 -41.5567 225.086 73.725 -177.82 73.728 103.651 GPRESSURE: 3091000 106.594 6.64554 -183.065 -0.406382 283.798 148.933 -89.696 29.4991 149.111 PRESSAVG: 3091000 -30.1284 -47.6579 -23.6439 -47.6579 -16.5224 26.5488 -23.644 26.5489 74.1538 GPRESSAVG: 3091000 -31.5462 -47.1383 -23.2697 -47.1373 -16.1819 26.4418 -22.7229 26.1222 74.9961 TIMING: 3091000 CPU: 9308.78, 0.00300779/step Wall: 9308.78, 0.00300779/step, 1.59496 hours remaining, 211.910156 MB of memory in use. ENERGY: 3091000 709.6944 2059.6777 1927.2764 104.7022 -206614.7149 17981.3630 0.0000 0.0000 34308.1696 -149523.8316 299.6218 -183832.0012 -149423.4131 298.8068 145.7653 179.8344 556578.1139 9.1677 9.0893 PRESSURE: 3091200 -119.647 40.4183 -26.2037 40.4176 -51.4963 -10.7197 -26.2026 -10.7193 50.6532 GPRESSURE: 3091200 -78.093 9.20483 -41.0643 72.3852 -33.7308 -24.3445 -54.4757 -97.2309 84.7286 PRESSAVG: 3091200 0.612321 0.48891 0.97688 0.48898 -38.2083 19.4529 0.976984 19.4529 -9.00651 GPRESSAVG: 3091200 0.974691 0.799733 0.60432 -0.0683953 -38.8464 18.292 1.5741 19.9485 -9.38124 TIMING: 3091200 CPU: 9309.38, 0.00300325/step Wall: 9309.38, 0.00300325/step, 1.59239 hours remaining, 211.910156 MB of memory in use. ENERGY: 3091200 766.8639 2137.2102 1929.3496 113.1346 -206921.2333 17986.0893 0.0000 0.0000 34260.3875 -149728.1982 299.2045 -183988.5857 -149636.6322 298.2842 -40.1634 -9.0318 556656.4254 -15.5342 -15.7510 PRESSURE: 3091400 -184.154 48.2228 -95.9113 48.2223 259.452 -118.994 -95.9114 -118.994 -124.679 GPRESSURE: 3091400 -130.238 -44.6825 -208.382 40.5331 259.15 -60.8872 -106.184 -108.641 -91.8815 PRESSAVG: 3091400 -16.6776 -25.6932 -38.8946 -25.6933 45.0454 -11.6054 -38.8945 -11.6054 16.2233 GPRESSAVG: 3091400 -15.2235 -27.4677 -40.8579 -26.4267 44.1396 -11.2497 -39.584 -13.928 15.6248 TIMING: 3091400 CPU: 9309.98, 0.00299666/step Wall: 9309.98, 0.00299666/step, 1.58873 hours remaining, 211.910156 MB of memory in use. ENERGY: 3091400 736.7059 2063.4491 1953.9014 110.3616 -206233.8994 17728.6203 0.0000 0.0000 34036.6629 -149604.1982 297.2506 -183640.8611 -149513.8170 297.9828 -16.4602 12.3436 556810.5722 14.8637 14.8470 PRESSURE: 3091600 -278.562 -135.882 67.7446 -135.882 -100.788 154.728 67.7453 154.729 -157.569 GPRESSURE: 3091600 -298.235 -65.8923 5.54601 -140.668 -40.4177 208.287 21.7693 72.4241 -87.405 PRESSAVG: 3091600 -25.5545 -30.2136 -42.7992 -30.2137 39.5405 29.7515 -42.7992 29.7516 -20.8362 GPRESSAVG: 3091600 -25.8812 -30.4863 -40.6703 -29.3656 41.135 28.5933 -44.7733 31.8546 -22.1977 TIMING: 3091600 CPU: 9310.58, 0.00300121/step Wall: 9310.58, 0.00300121/step, 1.59097 hours remaining, 211.910156 MB of memory in use. ENERGY: 3091600 740.7773 2095.2139 1927.4774 112.4307 -206333.2567 17731.4568 0.0000 0.0000 34112.3016 -149613.5988 297.9112 -183725.9005 -149518.3482 298.3452 -178.9732 -142.0192 558322.8024 -2.2834 -2.3146 PRESSURE: 3091800 119.331 231.846 -50.5528 231.846 183.361 133.306 -50.5528 133.307 131.242 GPRESSURE: 3091800 126.307 204.195 -8.56316 217.379 242.42 142.166 -92.474 103.614 155.291 PRESSAVG: 3091800 -26.1474 23.1997 -39.0743 23.1997 59.4221 15.7827 -39.0743 15.7827 6.2238 GPRESSAVG: 3091800 -27.7207 26.9985 -38.919 21.238 58.0272 18.7096 -36.9389 15.3091 9.23451 TIMING: 3091800 CPU: 9311.18, 0.00301822/step Wall: 9311.18, 0.00301822/step, 1.59983 hours remaining, 211.910156 MB of memory in use. ENERGY: 3091800 704.9503 2126.0984 1956.9123 111.0637 -206709.6016 18018.1021 0.0000 0.0000 33983.1597 -149809.3151 296.7834 -183792.4747 -149712.0767 297.5545 144.6446 174.6725 555847.1342 13.1662 13.1803 PRESSURE: 3092000 115.048 -4.99455 -54.71 -4.99377 49.1354 -125.15 -54.7104 -125.152 26.0044 GPRESSURE: 3092000 87.6223 6.71773 -77.4039 45.1477 131.242 -193.245 -44.9526 -118.361 77.5796 PRESSAVG: 3092000 -39.1255 -30.0461 -63.5117 -30.046 68.5784 27.9923 -63.5117 27.9923 -56.5825 GPRESSAVG: 3092000 -38.4281 -34.0934 -62.0144 -28.8071 69.0775 26.1105 -65.1928 27.6192 -57.7517 TIMING: 3092000 CPU: 9311.79, 0.00304017/step Wall: 9311.79, 0.00304017/step, 1.61129 hours remaining, 211.910156 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: 3092000 746.6758 2059.0237 1953.2145 126.2841 -206838.6502 18057.5791 0.0000 0.0000 34019.2368 -149876.6362 297.0985 -183895.8730 -149784.2602 297.4509 63.3958 98.8148 556409.2564 -9.0432 -9.0341 PRESSURE: 3092200 -97.7676 75.0006 23.3269 75.0006 125.942 -26.2617 23.3259 -26.2607 -63.0555 GPRESSURE: 3092200 -17.512 39.9628 53.0532 45.6743 144.214 41.6939 -55.8465 30.3366 -65.7419 PRESSAVG: 3092200 37.7772 13.0144 17.3213 13.0144 -15.2965 -23.524 17.3213 -23.5241 -39.6381 GPRESSAVG: 3092200 38.6389 14.4005 15.8537 12.7204 -16.8127 -22.2684 17.0918 -22.5655 -38.8197 TIMING: 3092200 CPU: 9312.39, 0.00301556/step Wall: 9312.39, 0.00301556/step, 1.59808 hours remaining, 211.910156 MB of memory in use. ENERGY: 3092200 759.3586 2069.2246 1935.5520 120.7049 -206626.5345 17866.0705 0.0000 0.0000 33862.4300 -150013.1939 295.7290 -183875.6239 -149920.3566 297.6107 -11.6269 20.3200 557276.9295 -5.7191 -5.6645 LDB: ============= START OF LOAD BALANCING ============== 9315.91 LDB: ============== END OF LOAD BALANCING =============== 9315.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9315.91 LDB: ============= START OF LOAD BALANCING ============== 9316.21 LDB: Largest compute 4774 load 0.031744 is 26.9% of average load 0.118028 LDB: Average compute 0.001741 is 1.5% of average load 0.118028 LDB: TIME 9316.21 LOAD: AVG 0.118028 MAX 0.206742 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.555 MB LDB: TIME 9316.21 LOAD: AVG 0.118028 MAX 0.206742 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.758 MB LDB: TIME 9316.21 LOAD: AVG 0.118028 MAX 0.206742 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.758 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9316.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9316.22 PRESSURE: 3092400 -234.832 -9.01291 10.8904 -9.01414 -337.894 -92.2455 10.8915 -92.2459 -78.6168 GPRESSURE: 3092400 -236.519 -4.50616 47.3062 14.0242 -276.24 -78.457 67.1782 -92.1588 -32.9691 PRESSAVG: 3092400 -13.263 -18.7364 -23.2218 -18.7365 -1.49535 33.5199 -23.2218 33.52 45.2005 GPRESSAVG: 3092400 -13.4461 -18.1176 -22.5423 -19.1586 -1.55438 32.8275 -24.5228 32.5281 45.5817 TIMING: 3092400 CPU: 9313, 0.00305472/step Wall: 9313, 0.00305472/step, 1.61866 hours remaining, 208.941406 MB of memory in use. ENERGY: 3092400 781.4165 2063.6728 1928.5166 119.8923 -206611.3577 17571.4785 0.0000 0.0000 34199.2204 -149947.1605 298.6703 -184146.3809 -149839.4794 296.8444 -217.1145 -181.9091 554636.4865 10.1474 10.1938 PRESSURE: 3092600 50.023 -72.2806 7.30051 -72.281 -220.237 -64.2063 7.30027 -64.2058 209.477 GPRESSURE: 3092600 95.1138 8.70094 39.8437 -111.833 -193.111 -33.8688 -8.49502 -98.4788 234.674 PRESSAVG: 3092600 -1.68236 16.3752 35.0002 16.3752 -34.9811 1.62559 35.0003 1.6256 54.1263 GPRESSAVG: 3092600 -1.09727 16.3127 32.3751 18.2533 -33.9859 1.42957 37.2919 2.85565 53.0369 TIMING: 3092600 CPU: 9313.6, 0.00299915/step Wall: 9313.6, 0.00299915/step, 1.58905 hours remaining, 209.144531 MB of memory in use. ENERGY: 3092600 732.5865 2111.9010 1925.0409 116.3995 -206536.4989 17780.9317 0.0000 0.0000 34000.4973 -149869.1419 296.9348 -183869.6392 -149768.9527 297.5132 13.0877 45.5589 555595.2895 5.8210 5.9846 PRESSURE: 3092800 117.623 72.1386 23.6055 72.1372 33.3446 39.1149 23.605 39.114 20.3974 GPRESSURE: 3092800 156.608 80.2171 55.8437 74.5735 4.36969 146.501 14.5579 37.1991 105.561 PRESSAVG: 3092800 72.791 2.43552 20.2763 2.43554 -40.9802 10.6406 20.2764 10.6406 2.35139 GPRESSAVG: 3092800 71.3959 1.96 22.5404 1.19484 -41.2993 9.89609 19.4518 9.19798 3.68165 TIMING: 3092800 CPU: 9314.21, 0.00303213/step Wall: 9314.21, 0.00303213/step, 1.60636 hours remaining, 209.144531 MB of memory in use. ENERGY: 3092800 761.0373 2095.7319 1929.7414 115.4677 -206764.8230 17952.9618 0.0000 0.0000 34053.4520 -149856.4309 297.3973 -183909.8829 -149761.3671 297.9416 57.1217 88.8461 555965.0955 11.3874 11.2594 PRESSURE: 3093000 -184.202 193.195 -106.299 193.196 -207.962 -24.146 -106.299 -24.1487 -337.133 GPRESSURE: 3093000 -160.238 228.567 -106.404 170.742 -155.843 -48.0343 -89.875 -46.751 -322.077 PRESSAVG: 3093000 -36.8538 34.3526 34.3819 34.3528 34.0693 23.453 34.382 23.453 -23.8653 GPRESSAVG: 3093000 -35.8594 35.2824 35.3192 36.5247 34.2691 23.0517 36.2399 23.4351 -25.3385 TIMING: 3093000 CPU: 9314.81, 0.00300947/step Wall: 9314.81, 0.00300947/step, 1.59418 hours remaining, 209.144531 MB of memory in use. ENERGY: 3093000 747.3182 2107.8945 1919.0552 124.7507 -206444.1554 17750.9447 0.0000 0.0000 33895.6677 -149898.5244 296.0193 -183794.1921 -149802.4532 297.4555 -243.0990 -212.7196 558461.5711 -8.8833 -8.9763 PRESSURE: 3093200 -223.429 158.234 40.1734 158.234 -24.3955 -3.72199 40.1736 -3.72194 -313.947 GPRESSURE: 3093200 -247.206 208.528 -17.0818 103.566 14.8169 10.0503 133.165 64.2101 -232.607 PRESSAVG: 3093200 -12.9955 -16.7088 -27.3207 -16.7087 46.8853 -27.3005 -27.3208 -27.3004 -29.8785 GPRESSAVG: 3093200 -14.0748 -18.3853 -28.4201 -16.8778 47.5786 -27.3187 -26.5461 -24.5659 -29.8936 TIMING: 3093200 CPU: 9315.41, 0.00301216/step Wall: 9315.41, 0.00301216/step, 1.59544 hours remaining, 209.144531 MB of memory in use. ENERGY: 3093200 771.7270 2154.8780 1934.5856 103.1264 -206590.5905 17691.0010 0.0000 0.0000 34156.8642 -149778.4083 298.3004 -183935.2724 -149684.1839 297.3863 -187.2572 -154.9987 557703.0112 1.3371 1.2034 PRESSURE: 3093400 -64.3178 -85.4578 -35.0693 -85.4577 -194.122 -16.209 -35.0695 -16.2076 -241.529 GPRESSURE: 3093400 -17.9201 -59.741 20.8344 -136.362 -171.842 -54.8894 -30.4811 14.6045 -202.352 PRESSAVG: 3093400 15.8425 39.6492 -21.4638 39.6492 40.3218 1.0874 -21.4639 1.08734 -39.5621 GPRESSAVG: 3093400 15.6573 40.6432 -23.2159 36.2028 39.1442 2.77698 -22.9747 -1.81352 -38.5237 TIMING: 3093400 CPU: 9316.02, 0.00304353/step Wall: 9316.02, 0.00304353/step, 1.61189 hours remaining, 209.144531 MB of memory in use. ENERGY: 3093400 737.7594 2047.7466 1915.8346 108.3716 -206359.7259 17771.8576 0.0000 0.0000 33950.9149 -149827.2412 296.5018 -183778.1560 -149732.7534 297.4711 -166.6564 -130.7047 558049.9036 5.5341 5.4259 PRESSURE: 3093600 132.331 -111.656 25.5186 -111.656 12.018 -51.7464 25.5183 -51.7475 217.238 GPRESSURE: 3093600 182.266 -39.1421 119.927 -52.3619 52.2283 -5.18302 -73.7021 -111.021 226.029 PRESSAVG: 3093600 24.3874 14.9597 -10.7968 14.9597 -30.4545 22.2406 -10.7967 22.2405 -5.80505 GPRESSAVG: 3093600 24.9829 16.4971 -6.61819 16.389 -30.0678 20.6225 -12.3538 23.632 -6.81134 TIMING: 3093600 CPU: 9316.62, 0.00299545/step Wall: 9316.62, 0.00299545/step, 1.58625 hours remaining, 209.144531 MB of memory in use. ENERGY: 3093600 724.4487 2118.1009 1884.7411 102.4987 -206856.2267 17996.6635 0.0000 0.0000 34113.9064 -149915.8673 297.9252 -184029.7737 -149834.0664 297.9232 120.5293 153.5078 556666.5735 -3.9574 -3.9654 PRESSURE: 3093800 -9.96411 4.53742 -128.381 4.53779 -159.694 -16.9895 -128.382 -16.9913 102.491 GPRESSURE: 3093800 -54.919 -22.2338 -111.54 23.8358 -98.336 -18.8093 -156.701 4.14123 175.811 PRESSAVG: 3093800 -24.2234 0.885695 13.9039 0.885626 -30.0187 45.5329 13.9038 45.533 38.8478 GPRESSAVG: 3093800 -25.1707 -0.159237 12.9861 2.19535 -29.0867 45.6294 13.5231 45.7584 38.7035 TIMING: 3093800 CPU: 9317.23, 0.00302098/step Wall: 9317.23, 0.00302098/step, 1.59961 hours remaining, 209.144531 MB of memory in use. ENERGY: 3093800 771.2178 2016.2699 1945.1449 103.3703 -206498.1137 17878.0446 0.0000 0.0000 33931.5543 -149852.5118 296.3327 -183784.0661 -149751.5536 297.6664 -22.3893 7.5185 557181.3421 -5.1314 -5.1846 PRESSURE: 3094000 251.853 85.9282 18.9929 85.9286 -5.61363 -257.801 18.9912 -257.802 117.332 GPRESSURE: 3094000 313.245 48.4533 31.539 123.854 50.5548 -292.317 -16.3343 -31.6294 92.4927 PRESSAVG: 3094000 47.4928 29.9615 30.9059 29.9616 -47.0973 -0.411395 30.9059 -0.41151 -14.1722 GPRESSAVG: 3094000 48.4708 29.0291 29.0002 29.4064 -47.9054 1.25948 33.178 -0.0719526 -13.8755 TIMING: 3094000 CPU: 9317.83, 0.00303944/step Wall: 9317.83, 0.00303944/step, 1.60922 hours remaining, 209.144531 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: 3094000 748.4455 2149.2392 1938.8740 109.9167 -206922.3266 18032.6655 0.0000 0.0000 34089.2396 -149853.9461 297.7098 -183943.1856 -149755.8319 297.5051 121.1905 152.0974 556471.9868 -4.5922 -4.4367 PRESSURE: 3094200 -110.413 16.8671 -55.2653 16.8686 141.853 88.5862 -55.2652 88.5857 35.3541 GPRESSURE: 3094200 -63.5927 -34.565 -34.9136 59.4172 138.889 13.1093 38.2675 120.178 79.6298 PRESSAVG: 3094200 -4.51412 -4.56758 14.5741 -4.56756 28.1339 -5.12887 14.5741 -5.12867 29.1988 GPRESSAVG: 3094200 -6.09334 -2.12 14.1208 -6.27532 30.2237 -8.35043 13.7159 -5.29408 28.6163 TIMING: 3094200 CPU: 9318.44, 0.00302655/step Wall: 9318.44, 0.00302655/step, 1.60222 hours remaining, 209.144531 MB of memory in use. ENERGY: 3094200 755.3846 2119.8101 1934.8110 115.5810 -206725.7743 17975.0473 0.0000 0.0000 33810.0736 -150015.0667 295.2718 -183825.1402 -149919.5826 296.9497 22.2650 51.6419 557002.9574 17.6062 17.5822 PRESSURE: 3094400 -39.4329 -16.9348 36.9147 -16.9346 31.5161 98.6073 36.9158 98.6063 -87.6417 GPRESSURE: 3094400 -38.1871 65.1581 46.2438 -95.3352 77.2589 65.199 74.375 51.1795 -51.7761 PRESSAVG: 3094400 -84.8765 22.8967 40.9402 22.8968 -24.2235 15.8604 40.9402 15.8605 68.6245 GPRESSAVG: 3094400 -83.469 20.9669 41.5655 23.8933 -26.8893 17.0799 40.774 15.4165 70.3789 TIMING: 3094400 CPU: 9319.04, 0.00301858/step Wall: 9319.04, 0.00301858/step, 1.59784 hours remaining, 209.144531 MB of memory in use. ENERGY: 3094400 786.1368 2112.6636 1937.9108 109.5723 -206691.5675 17950.5316 0.0000 0.0000 34026.1901 -149768.5624 297.1592 -183794.7525 -149664.3564 297.4116 -31.8528 -4.2348 556999.0758 -13.4918 -13.3265 PRESSURE: 3094600 -157.286 28.2737 -159.139 28.2735 -173.01 36.4061 -159.139 36.4074 -27.1019 GPRESSURE: 3094600 -164.378 -2.67821 -166.487 59.9334 -93.6172 -69.9981 -125.773 73.782 -6.65654 PRESSAVG: 3094600 -70.3152 -17.2709 27.2176 -17.271 7.1768 10.5058 27.2176 10.5058 12.3315 GPRESSAVG: 3094600 -70.7555 -16.9949 28.137 -17.4224 9.18876 10.8734 27.9512 9.29394 11.2457 TIMING: 3094600 CPU: 9319.64, 0.00299714/step Wall: 9319.64, 0.00299714/step, 1.58632 hours remaining, 209.144531 MB of memory in use. ENERGY: 3094600 747.8744 2108.9716 1961.2412 116.4289 -206871.9348 17914.7044 0.0000 0.0000 34201.9734 -149820.7410 298.6943 -184022.7143 -149725.6174 298.1925 -119.1327 -88.2173 557567.3638 -16.9356 -16.7736 PRESSURE: 3094800 -66.5286 -0.140734 1.53504 -0.141024 4.24405 109.013 1.53552 109.013 85.0016 GPRESSURE: 3094800 -52.0202 -70.3339 -54.9164 -1.92214 81.8035 173.568 74.5528 36.7727 89.4459 PRESSAVG: 3094800 7.41633 -26.2882 17.6989 -26.2882 -52.6587 15.2196 17.6989 15.2196 63.2832 GPRESSAVG: 3094800 8.46713 -25.9422 17.23 -25.4867 -53.3699 16.0281 17.4564 15.1702 63.1606 TIMING: 3094800 CPU: 9320.24, 0.00299554/step Wall: 9320.24, 0.00299554/step, 1.58531 hours remaining, 209.144531 MB of memory in use. ENERGY: 3094800 742.4435 2117.5307 1967.2356 114.7410 -206731.7832 17917.8686 0.0000 0.0000 34168.8013 -149703.1625 298.4046 -183871.9639 -149603.7952 298.0534 7.5724 39.7431 557351.4275 6.0136 6.0860 PRESSURE: 3095000 -114.14 -100.865 63.3899 -100.864 22.6893 28.6857 63.3901 28.6843 -15.3433 GPRESSURE: 3095000 -18.4392 -7.24189 31.6041 -74.8953 38.597 44.7781 113.331 -104.737 -21.6874 PRESSAVG: 3095000 -5.79568 24.419 4.62341 24.4191 13.7584 -16.7419 4.6234 -16.742 42.8679 GPRESSAVG: 3095000 -7.25062 24.6996 4.23622 22.7736 14.2879 -16.9413 4.05408 -13.9169 43.4709 TIMING: 3095000 CPU: 9320.84, 0.00297155/step Wall: 9320.84, 0.00297155/step, 1.57245 hours remaining, 209.144531 MB of memory in use. ENERGY: 3095000 729.0962 2123.2727 1935.1122 116.5377 -206635.8938 17767.8672 0.0000 0.0000 34205.0777 -149758.9300 298.7215 -183964.0078 -149665.3662 298.3673 -35.5982 -0.5099 556897.4362 16.9435 16.8361 PRESSURE: 3095200 53.1801 16.1052 -61.9278 16.1048 -130.182 52.6971 -61.9277 52.6973 -115.925 GPRESSURE: 3095200 50.0674 -13.1185 -90.1031 44.1631 -74.1281 -34.5554 -6.62093 44.4097 -79.5782 PRESSAVG: 3095200 -10.9901 22.7226 14.5171 22.7226 -111.86 -16.5379 14.5171 -16.5379 128.491 GPRESSAVG: 3095200 -10.508 23.1099 14.0092 21.9703 -112.175 -15.2953 13.9094 -19.6406 128.583 TIMING: 3095200 CPU: 9321.43, 0.00299013/step Wall: 9321.43, 0.00299013/step, 1.58211 hours remaining, 209.347656 MB of memory in use. ENERGY: 3095200 734.6842 2088.5452 1963.2747 102.9205 -206248.6666 17804.3462 0.0000 0.0000 33925.9242 -149628.9716 296.2835 -183554.8958 -149536.5906 298.1053 -64.3088 -34.5463 559373.4466 1.8804 1.9667 PRESSURE: 3095400 315.733 -15.7432 45.2898 -15.744 140.19 -178.38 45.2918 -178.381 268.355 GPRESSURE: 3095400 375.225 -26.877 19.3202 -25.8235 151.343 -173.807 53.9229 -120.859 291.674 PRESSAVG: 3095400 42.9341 61.6445 -51.8391 61.6445 -10.7299 -50.198 -51.8391 -50.1981 6.16757 GPRESSAVG: 3095400 42.1695 60.741 -51.2457 64.0201 -10.5013 -53.6094 -52.5945 -49.1842 6.60709 TIMING: 3095400 CPU: 9322.03, 0.0029864/step Wall: 9322.03, 0.0029864/step, 1.57997 hours remaining, 209.347656 MB of memory in use. ENERGY: 3095400 723.5072 2060.3926 1956.0191 104.8335 -206871.2454 18143.0340 0.0000 0.0000 34195.7257 -149687.7332 298.6398 -183883.4590 -149585.6026 297.7976 241.4260 272.7472 557090.7171 12.7906 12.7584 PRESSURE: 3095600 -42.6382 -136.352 146.202 -136.351 -66.2572 -184.086 146.203 -184.086 -55.9985 GPRESSURE: 3095600 -20.882 -35.0565 82.3963 -218.768 -40.6403 -134.177 258.2 -219.989 -11.9677 PRESSAVG: 3095600 -18.0801 -0.815635 33.7685 -0.81569 29.8728 -42.1596 33.7683 -42.1598 21.3549 GPRESSAVG: 3095600 -17.0697 -0.545976 32.4981 -1.60754 30.4088 -41.9161 34.2982 -39.8459 20.0727 TIMING: 3095600 CPU: 9322.63, 0.00301744/step Wall: 9322.63, 0.00301744/step, 1.59623 hours remaining, 209.347656 MB of memory in use. ENERGY: 3095600 757.9254 2079.0403 1934.7566 97.6555 -206468.2330 17870.3452 0.0000 0.0000 34147.9258 -149580.5841 298.2223 -183728.5099 -149478.2117 297.9455 -54.9646 -24.4967 557727.2629 11.0492 11.1373 PRESSURE: 3095800 -254.296 104.986 61.7903 104.987 -19.8256 -117.703 61.7896 -117.702 173.868 GPRESSURE: 3095800 -198.208 83.1141 65.4116 149.715 2.46808 -129.757 43.2007 -105.001 184.512 PRESSAVG: 3095800 -56.6088 -13.0982 -1.88884 -13.0982 30.1699 -35.9169 -1.88893 -35.917 4.17326 GPRESSAVG: 3095800 -55.8194 -12.7674 -0.696166 -11.3276 29.6409 -32.983 -2.42874 -39.1156 4.29126 TIMING: 3095800 CPU: 9323.24, 0.00301294/step Wall: 9323.24, 0.00301294/step, 1.59368 hours remaining, 209.347656 MB of memory in use. ENERGY: 3095800 759.5967 2055.2137 1971.4826 108.2578 -206152.4225 17711.8433 0.0000 0.0000 34124.1273 -149421.9012 298.0145 -183546.0284 -149325.6470 298.2765 -33.4181 -3.7428 556898.1824 -7.4219 -7.2958 PRESSURE: 3096000 -77.1917 68.1584 -66.1018 68.1591 149.838 -242.03 -66.1012 -242.03 117.907 GPRESSURE: 3096000 -108.185 47.2181 -95.5774 163.201 224.802 -236.432 -66.1989 -216.158 163.516 PRESSAVG: 3096000 -0.426293 21.6007 48.3097 21.6008 4.54436 -23.5504 48.3097 -23.5504 4.17128 GPRESSAVG: 3096000 -1.36177 19.2851 50.4875 20.5792 4.91597 -25.8131 46.8999 -22.3632 4.95239 TIMING: 3096000 CPU: 9323.84, 0.00302132/step Wall: 9323.84, 0.00302132/step, 1.59795 hours remaining, 209.347656 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: 3096000 740.9213 2036.7132 1953.0300 103.1530 -206336.8792 17903.5368 0.0000 0.0000 34072.8565 -149526.6685 297.5667 -183599.5250 -149431.4561 298.4628 63.5179 93.3773 557604.7420 2.7631 2.8355 PRESSURE: 3096200 -33.1366 60.6704 -17.0598 60.6707 102.524 -43.5053 -17.0597 -43.5044 27.073 GPRESSURE: 3096200 54.1377 57.7253 25.3181 -5.21453 150.501 -17.2031 -46.8445 -60.3542 -8.26678 PRESSAVG: 3096200 37.0609 21.8618 -12.9117 21.8618 -59.8739 -68.3575 -12.9117 -68.3575 -4.31463 GPRESSAVG: 3096200 37.7555 25.0415 -14.2421 20.8132 -60.3434 -70.4119 -10.9995 -66.2424 -4.53571 TIMING: 3096200 CPU: 9324.44, 0.00300826/step Wall: 9324.44, 0.00300826/step, 1.59087 hours remaining, 209.347656 MB of memory in use. ENERGY: 3096200 747.6199 2164.7896 1925.2531 121.7811 -206351.2218 17817.1011 0.0000 0.0000 34198.0529 -149376.6240 298.6601 -183574.6769 -149271.6366 298.4506 32.1536 65.4574 557145.7162 -9.0426 -9.0412 LDB: ============= START OF LOAD BALANCING ============== 9327.96 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9327.96 LDB: =============== DONE WITH MIGRATION ================ 9327.96 LDB: ============= START OF LOAD BALANCING ============== 9328.26 LDB: Largest compute 4774 load 0.032109 is 27.2% of average load 0.118085 LDB: Average compute 0.001742 is 1.5% of average load 0.118085 LDB: TIME 9328.26 LOAD: AVG 0.118085 MAX 0.210021 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.512 MB LDB: TIME 9328.27 LOAD: AVG 0.118085 MAX 0.210021 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.715 MB LDB: TIME 9328.27 LOAD: AVG 0.118085 MAX 0.210021 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.715 MB LDB: ============== END OF LOAD BALANCING =============== 9328.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9328.27 PRESSURE: 3096400 86.7918 183.962 -100.099 183.964 -61.244 -145.526 -100.101 -145.527 34.638 GPRESSURE: 3096400 71.4399 224.622 -72.0345 128.162 -9.14988 -123.8 -45.5163 -170.798 96.0114 PRESSAVG: 3096400 1.03055 55.712 -41.5997 55.7121 -18.3763 43.6391 -41.5998 43.6391 26.6595 GPRESSAVG: 3096400 1.40322 56.6379 -43.3472 56.4894 -18.6736 47.0938 -41.2583 43.5934 26.7013 TIMING: 3096400 CPU: 9325.06, 0.00306288/step Wall: 9325.06, 0.00306288/step, 1.61958 hours remaining, 208.941406 MB of memory in use. ENERGY: 3096400 789.4432 2059.8316 1969.5086 120.0430 -206408.9832 17892.3913 0.0000 0.0000 34159.9429 -149417.8227 298.3273 -183577.7655 -149329.0084 298.5516 20.0619 52.7671 556389.6451 3.1046 3.1437 PRESSURE: 3096600 -100.561 -41.8877 -34.2393 -41.8876 137.178 -69.9346 -34.2401 -69.9332 138.348 GPRESSURE: 3096600 -22.5279 -12.6502 -65.4585 -8.16355 138.034 -119.216 -69.1507 -21.0617 152.636 PRESSAVG: 3096600 -19.402 -1.28838 -10.5642 -1.28846 -11.4078 7.1444 -10.5642 7.14445 6.52046 GPRESSAVG: 3096600 -19.0381 -3.68088 -10.3352 0.283735 -11.6861 6.37586 -9.38871 6.60397 6.27844 TIMING: 3096600 CPU: 9325.66, 0.00302534/step Wall: 9325.66, 0.00302534/step, 1.59956 hours remaining, 208.941406 MB of memory in use. ENERGY: 3096600 761.1660 2136.5377 1907.9251 118.1448 -206408.3654 17965.2263 0.0000 0.0000 34125.1241 -149394.2416 298.0232 -183519.3656 -149299.5404 299.3544 58.3218 89.3806 558174.4812 -8.0965 -8.1486 PRESSURE: 3096800 56.7927 159.954 -5.69218 159.955 230.924 -138.49 -5.69287 -138.49 -16.0291 GPRESSURE: 3096800 85.0457 116.513 39.4772 179.818 265.059 -164.224 -112.527 -121.905 22.5256 PRESSAVG: 3096800 48.2066 12.2071 -24.7121 12.207 24.1817 -53.7432 -24.7121 -53.7431 -46.3708 GPRESSAVG: 3096800 47.5955 10.9219 -23.3262 13.7101 25.5643 -52.973 -26.234 -54.8651 -47.1729 TIMING: 3096800 CPU: 9326.26, 0.00299815/step Wall: 9326.26, 0.00299815/step, 1.58502 hours remaining, 208.941406 MB of memory in use. ENERGY: 3096800 747.4033 2112.2370 1939.1631 111.1117 -206489.9457 18025.7164 0.0000 0.0000 34225.1493 -149329.1650 298.8967 -183554.3143 -149237.3244 299.2242 90.5625 124.2099 556808.8902 8.6725 8.6623 PRESSURE: 3097000 -359.627 -7.98793 123.108 -7.98676 143.283 102.028 123.108 102.027 96.0926 GPRESSURE: 3097000 -271.933 -31.5831 -8.05529 1.42361 152.483 182.494 91.9343 46.4839 89.4116 PRESSAVG: 3097000 -55.0373 -27.5827 -38.7377 -27.5826 98.9309 -28.6584 -38.7377 -28.6584 -46.9182 GPRESSAVG: 3097000 -53.8126 -26.5705 -39.7144 -28.2638 98.7255 -29.2577 -41.4703 -29.1023 -47.6506 TIMING: 3097000 CPU: 9326.87, 0.00302567/step Wall: 9326.87, 0.00302567/step, 1.5994 hours remaining, 208.941406 MB of memory in use. ENERGY: 3097000 744.6860 2097.5950 1941.1534 123.0676 -206378.7894 17717.9695 0.0000 0.0000 34353.9412 -149400.3767 300.0215 -183754.3179 -149303.5675 298.6805 -40.0839 -10.0129 557022.9477 -1.0082 -0.9126 PRESSURE: 3097200 -195.802 -70.3063 -94.7943 -70.3069 -56.3077 52.2704 -94.7943 52.2709 -293.182 GPRESSURE: 3097200 -135.812 -31.8494 -102.894 -135.066 -55.6391 124.297 -57.9943 5.55179 -265.52 PRESSAVG: 3097200 3.21653 -5.66111 18.9957 -5.66105 10.7922 9.20098 18.9957 9.20088 -15.6561 GPRESSAVG: 3097200 3.18925 -5.93102 20.1302 -6.20055 10.3385 10.2912 20.9904 8.42842 -15.3194 TIMING: 3097200 CPU: 9327.46, 0.00298636/step Wall: 9327.46, 0.00298636/step, 1.57846 hours remaining, 208.941406 MB of memory in use. ENERGY: 3097200 715.3553 2151.2621 1952.8596 116.5957 -206156.8855 17652.9810 0.0000 0.0000 34071.4031 -149496.4288 297.5540 -183567.8319 -149394.0084 299.0034 -181.7640 -152.3237 559284.9223 -0.5491 -0.5972 PRESSURE: 3097400 -134.065 49.513 -81.6551 49.5117 -154.892 64.3704 -81.6561 64.3702 228.134 GPRESSURE: 3097400 -96.4605 -59.6798 35.8934 53.8306 -118.405 29.175 -71.7946 12.9706 250.718 PRESSAVG: 3097400 -39.7721 -46.5724 -23.6152 -46.5724 123.212 -31.0228 -23.6153 -31.023 -39.1971 GPRESSAVG: 3097400 -40.6066 -46.4542 -24.5197 -47.0877 122.688 -32.3308 -22.4748 -30.0743 -38.3574 TIMING: 3097400 CPU: 9328.07, 0.003027/step Wall: 9328.07, 0.003027/step, 1.59977 hours remaining, 208.941406 MB of memory in use. ENERGY: 3097400 748.5796 2093.9527 1937.9344 109.3731 -206415.6002 17843.3370 0.0000 0.0000 34383.5260 -149298.8976 300.2799 -183682.4236 -149206.5707 298.8958 -20.2745 11.9508 557642.4115 14.7477 14.5746 PRESSURE: 3097600 -165.131 27.6419 -44.5203 27.6416 -27.4844 65.2264 -44.5198 65.2273 117.024 GPRESSURE: 3097600 -139.311 49.2314 -3.35508 -87.1488 1.4763 29.6191 1.71485 68.8136 153.899 PRESSAVG: 3097600 -36.9067 24.932 23.7608 24.9321 1.51959 -24.7089 23.7607 -24.709 19.2029 GPRESSAVG: 3097600 -37.7925 25.8146 23.4833 23.8109 2.63015 -25.5209 22.298 -22.9699 19.0946 TIMING: 3097600 CPU: 9328.67, 0.00301597/step Wall: 9328.67, 0.00301597/step, 1.59377 hours remaining, 209.000000 MB of memory in use. ENERGY: 3097600 740.7548 2078.0276 1954.5203 102.0976 -206282.6759 17810.3931 0.0000 0.0000 34161.2303 -149435.6523 298.3385 -183596.8826 -149342.7422 299.4042 -25.1974 5.3550 556131.0982 -5.3947 -5.3559 PRESSURE: 3097800 62.8853 -116.986 43.2502 -116.985 -148.565 50.0707 43.2497 50.0704 42.5268 GPRESSURE: 3097800 87.2652 -170.228 -21.3627 -61.2309 -116.661 29.95 141.628 75.1453 75.3218 PRESSAVG: 3097800 -5.51011 -0.742109 -16.3041 -0.74205 -73.6498 5.33151 -16.3041 5.33136 98.5349 GPRESSAVG: 3097800 -5.71459 0.214392 -16.0575 -0.482575 -74.6843 6.01053 -14.7739 2.61917 99.4617 TIMING: 3097800 CPU: 9329.27, 0.00300294/step Wall: 9329.27, 0.00300294/step, 1.58672 hours remaining, 209.000000 MB of memory in use. ENERGY: 3097800 763.5322 2130.2088 1925.4646 113.6329 -206314.4157 17796.7379 0.0000 0.0000 34240.8313 -149344.0080 299.0337 -183584.8393 -149243.0502 298.7970 -14.3842 15.3088 556097.2875 6.4583 6.3543 PRESSURE: 3098000 -197.379 -13.6449 -62.1782 -13.6449 -50.1068 -86.9214 -62.1792 -86.9213 -181.689 GPRESSURE: 3098000 -196.624 -75.8706 -137.296 28.9704 29.9466 -109.371 -37.4823 -172.617 -179.017 PRESSAVG: 3098000 -5.7732 -16.1628 18.2827 -16.1629 -34.8404 -10.0395 18.2826 -10.0395 -15.7269 GPRESSAVG: 3098000 -4.75101 -15.2108 17.5325 -16.9009 -34.5082 -12.4971 20.1306 -7.2766 -17.1239 TIMING: 3098000 CPU: 9329.87, 0.00297725/step Wall: 9329.87, 0.00297725/step, 1.57298 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: 3098000 808.1346 2070.1615 1929.0450 120.9793 -205873.6713 17558.2828 0.0000 0.0000 34107.9506 -149279.1174 297.8732 -183387.0681 -149189.2519 299.3325 -143.0582 -115.2315 558461.6172 -18.7802 -18.7944 PRESSURE: 3098200 110.462 107.59 -98.7072 107.588 36.529 -115.815 -98.7082 -115.815 57.6992 GPRESSURE: 3098200 149.744 60.2972 -135.744 156.809 1.60395 -61.5583 2.046 -193.833 127.262 PRESSAVG: 3098200 25.2522 -7.04427 1.3749 -7.04422 0.355859 -47.9884 1.37489 -47.9884 -17.6305 GPRESSAVG: 3098200 24.724 -10.0751 3.90084 -6.66908 -0.187456 -45.3424 0.0637946 -49.8814 -16.7859 TIMING: 3098200 CPU: 9330.47, 0.00299902/step Wall: 9330.47, 0.00299902/step, 1.58431 hours remaining, 209.234375 MB of memory in use. ENERGY: 3098200 792.8038 2080.0798 1949.1491 108.2022 -206256.4551 17832.5852 0.0000 0.0000 34187.0711 -149306.5638 298.5642 -183493.6349 -149217.7949 299.1882 68.2300 92.8700 557263.8616 2.6592 2.5835 PRESSURE: 3098400 6.42089 67.7877 -125.839 67.7884 82.0694 -67.6017 -125.84 -67.6024 -52.1769 GPRESSURE: 3098400 36.4134 102.938 -148.469 32.1183 118.74 9.68913 -126.444 -165.373 -19.2107 PRESSAVG: 3098400 -41.9908 12.4832 -16.3203 12.4831 37.3977 -14.9607 -16.3202 -14.9608 24.8155 GPRESSAVG: 3098400 -42.0949 13.448 -17.6223 12.5355 36.7439 -14.8585 -17.0266 -15.3777 25.2026 TIMING: 3098400 CPU: 9331.07, 0.00299918/step Wall: 9331.07, 0.00299918/step, 1.58423 hours remaining, 209.234375 MB of memory in use. ENERGY: 3098400 775.0547 2072.8506 1963.4840 116.8438 -206439.2166 17936.9950 0.0000 0.0000 34235.6428 -149338.3457 298.9884 -183573.9884 -149242.9907 299.1536 12.1045 45.3142 558952.5182 6.7408 6.6172 PRESSURE: 3098600 66.4891 -9.19933 51.0385 -9.19855 -723.925 195.803 51.0393 195.803 45.3785 GPRESSURE: 3098600 56.608 -14.8845 112.619 78.9163 -623.135 203.237 90.551 234.328 54.2529 PRESSAVG: 3098600 7.94178 0.51131 -14.9283 0.511281 -47.8212 -31.4174 -14.9283 -31.4175 57.4324 GPRESSAVG: 3098600 7.2441 1.30541 -13.9309 -0.190462 -47.9371 -32.1387 -16.5144 -29.0519 58.1133 TIMING: 3098600 CPU: 9331.67, 0.00300617/step Wall: 9331.67, 0.00300617/step, 1.58776 hours remaining, 209.234375 MB of memory in use. ENERGY: 3098600 715.7141 2061.7588 1925.1459 126.5447 -206059.5790 17454.0763 0.0000 0.0000 34545.8824 -149230.4568 301.6978 -183776.3392 -149133.5821 299.2400 -204.0193 -170.7582 557981.1311 5.8510 5.8067 PRESSURE: 3098800 83.5401 -25.6255 -25.9515 -25.625 -41.1654 -13.4606 -25.9503 -13.4609 122.441 GPRESSURE: 3098800 142.542 -96.3529 -40.8861 -25.8955 -10.666 60.5927 18.7732 -27.5503 129.368 PRESSAVG: 3098800 12.9217 -13.6688 -46.8797 -13.6689 -59.8679 24.0869 -46.8796 24.0869 50.4883 GPRESSAVG: 3098800 13.6077 -12.3196 -47.9657 -14.3146 -58.3563 24.054 -43.2205 23.5462 48.2398 TIMING: 3098800 CPU: 9332.27, 0.003022/step Wall: 9332.27, 0.003022/step, 1.59595 hours remaining, 209.234375 MB of memory in use. ENERGY: 3098800 736.3411 2011.1734 1963.0074 114.9377 -206564.8441 17982.6771 0.0000 0.0000 34396.5868 -149360.1205 300.3939 -183756.7073 -149261.8763 298.9475 54.9385 87.0812 558582.8478 1.1807 1.1637 PRESSURE: 3099000 43.594 -67.6183 -6.14585 -67.6183 5.8063 148.544 -6.14675 148.542 -96.6011 GPRESSURE: 3099000 56.2586 -53.7302 -40.8618 -12.4865 92.5308 64.1027 -45.616 259.591 -94.9356 PRESSAVG: 3099000 -32.8523 14.0627 -54.7014 14.0627 23.02 15.6341 -54.7015 15.6341 21.1466 GPRESSAVG: 3099000 -32.7926 11.8391 -53.2051 15.6829 21.977 17.7262 -56.8062 15.1078 22.3792 TIMING: 3099000 CPU: 9332.87, 0.0030096/step Wall: 9332.87, 0.0030096/step, 1.58923 hours remaining, 209.234375 MB of memory in use. ENERGY: 3099000 720.6753 2081.1366 1944.5614 106.3404 -206010.9441 17629.0860 0.0000 0.0000 34275.5172 -149253.6272 299.3366 -183529.1444 -149156.7413 299.0774 -15.7336 17.9513 557235.0675 3.7714 3.8545 PRESSURE: 3099200 49.0879 -10.4868 -11.1597 -10.4857 -15.6243 -36.9526 -11.1608 -36.9509 196.912 GPRESSURE: 3099200 59.6525 -75.7899 62.5553 -30.2505 88.0254 -57.6606 -42.7317 -8.68111 176.243 PRESSAVG: 3099200 -16.254 -7.87331 -44.8446 -7.87334 -14.9702 49.8046 -44.8446 49.8046 -5.083 GPRESSAVG: 3099200 -16.12 -7.90697 -47.2174 -8.25538 -14.3109 46.9556 -43.1948 50.6145 -6.29904 TIMING: 3099200 CPU: 9333.48, 0.00301106/step Wall: 9333.48, 0.00301106/step, 1.58984 hours remaining, 209.234375 MB of memory in use. ENERGY: 3099200 726.1520 2121.2652 1937.7455 104.9158 -206122.5626 17804.3232 0.0000 0.0000 34426.0924 -149002.0685 300.6516 -183428.1609 -148907.3723 299.6989 76.7917 107.9737 557026.7643 -12.1024 -12.2433 PRESSURE: 3099400 183.1 103.442 -83.8999 103.441 56.8183 -162.112 -83.9007 -162.112 247.797 GPRESSURE: 3099400 195.618 125.808 -123.863 112.278 109.199 -197.39 -8.30018 -167.661 270.605 PRESSAVG: 3099400 17.5867 -34.8553 83.133 -34.8554 -21.155 -15.4143 83.133 -15.4143 25.6296 GPRESSAVG: 3099400 17.4741 -35.4015 83.771 -34.2784 -21.9943 -13.0017 83.2806 -18.0305 26.6124 TIMING: 3099400 CPU: 9334.08, 0.00303679/step Wall: 9334.08, 0.00303679/step, 1.60325 hours remaining, 209.234375 MB of memory in use. ENERGY: 3099400 738.1334 2015.9931 1960.0723 108.8380 -206246.1167 18090.4471 0.0000 0.0000 34258.9125 -149073.7202 299.1916 -183332.6327 -148980.5225 299.3648 162.5720 191.8072 559049.7376 7.3538 7.3640 PRESSURE: 3099600 80.9096 -53.8902 82.9178 -53.8902 27.8906 -164.557 82.9173 -164.556 -215.357 GPRESSURE: 3099600 114.7 -18.7817 86.7731 -134.926 21.415 -177.306 134.229 -114.927 -152.288 PRESSAVG: 3099600 12.1172 -19.1804 3.8909 -19.1804 2.90901 -16.9312 3.89095 -16.9312 -20.3161 GPRESSAVG: 3099600 11.7158 -17.4918 5.04528 -19.4074 3.6459 -18.2547 3.0641 -14.3612 -20.4984 TIMING: 3099600 CPU: 9334.69, 0.003015/step Wall: 9334.69, 0.003015/step, 1.59158 hours remaining, 209.234375 MB of memory in use. ENERGY: 3099600 734.0273 2047.0089 1931.7612 100.4863 -206245.7933 17822.5494 0.0000 0.0000 34416.4272 -149193.5329 300.5672 -183609.9602 -149094.1718 299.4920 -35.5189 -5.3909 559836.4888 -1.7633 -1.7122 PRESSURE: 3099800 -83.3689 -31.3967 19.5669 -31.3981 -294.485 77.1547 19.5681 77.156 -268.508 GPRESSURE: 3099800 -71.2795 -24.4766 13.6586 -28.0366 -249.697 62.1732 8.06643 83.9747 -233.186 PRESSAVG: 3099800 22.8798 12.1534 -5.48608 12.1534 -37.9851 -0.398074 -5.4861 -0.397925 12.7406 GPRESSAVG: 3099800 22.7135 11.4761 -6.03749 11.181 -39.1073 -0.415132 -5.12266 -2.03303 12.9947 TIMING: 3099800 CPU: 9335.29, 0.00300269/step Wall: 9335.29, 0.00300269/step, 1.58492 hours remaining, 209.234375 MB of memory in use. ENERGY: 3099800 760.0550 2087.6558 1924.8103 117.9541 -206107.0302 17595.2193 0.0000 0.0000 34524.9834 -149096.3522 301.5153 -183621.3356 -148996.4308 299.9181 -215.4539 -184.7208 558063.9423 -0.7883 -1.1330 PRESSURE: 3100000 125.207 102.539 -7.66266 102.538 -6.06078 -5.97688 -7.66192 -5.97819 238.28 GPRESSURE: 3100000 181.389 76.2935 43.2506 138.179 23.7865 -10.8275 26.6854 5.14336 234.712 PRESSAVG: 3100000 -6.81895 0.74617 -0.954093 0.746043 -32.6959 -2.69168 -0.953996 -2.69139 20.2328 GPRESSAVG: 3100000 -6.83526 2.80009 -1.93763 1.02174 -31.6097 -1.96236 -1.21307 -1.75587 19.692 TIMING: 3100000 CPU: 9335.88, 0.00297435/step Wall: 9335.88, 0.00297435/step, 1.56979 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: 3100000 741.5042 2058.6416 1966.2583 106.1834 -206206.2275 17988.1078 0.0000 0.0000 34236.5382 -149108.9940 298.9962 -183345.5322 -149011.3365 299.9611 119.1418 146.6293 558176.5638 -6.4273 -6.2510 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3100000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 3100000 WRITING COORDINATES TO RESTART FILE AT STEP 3100000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3100200 -6.1532 -74.2029 -225.431 -74.2035 -206.409 84.2296 -225.431 84.2299 -41.2577 GPRESSURE: 3100200 90.1876 -81.3912 -149.016 -192.005 -242.233 74.4536 -292.292 56.2844 3.1869 PRESSAVG: 3100200 -50.2361 5.29157 1.28073 5.29146 -47.4576 -14.4595 1.28073 -14.4593 95.4747 GPRESSAVG: 3100200 -50.3605 3.5073 2.0176 6.75129 -47.4245 -16.3753 1.94482 -13.0074 95.8237 TIMING: 3100200 CPU: 9336.56, 0.00336579/step Wall: 9336.56, 0.00336579/step, 1.7762 hours remaining, 209.359375 MB of memory in use. ENERGY: 3100200 777.6076 2018.7707 1928.8031 108.8882 -205690.7857 17593.9079 0.0000 0.0000 34359.8524 -148902.9558 300.0731 -183262.8082 -148804.2524 298.9741 -84.6065 -49.6196 558115.6052 -0.7397 -0.6538 LDB: ============= START OF LOAD BALANCING ============== 9340.07 LDB: ============== END OF LOAD BALANCING =============== 9340.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9340.07 LDB: ============= START OF LOAD BALANCING ============== 9340.38 LDB: Largest compute 4774 load 0.032009 is 27.1% of average load 0.117998 LDB: Average compute 0.001739 is 1.5% of average load 0.117998 LDB: TIME 9340.38 LOAD: AVG 0.117998 MAX 0.209296 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.773 MB LDB: TIME 9340.38 LOAD: AVG 0.117998 MAX 0.209296 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.84 MB LDB: TIME 9340.38 LOAD: AVG 0.117998 MAX 0.209296 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.84 MB LDB: ============== END OF LOAD BALANCING =============== 9340.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9340.38 PRESSURE: 3100400 38.4649 107.883 13.8862 107.882 -137.316 -13.9738 13.8867 -13.9751 127.953 GPRESSURE: 3100400 50.4179 113.39 101.052 94.8585 -69.8156 50.0554 -50.6599 -78.8501 150.98 PRESSAVG: 3100400 1.80969 37.8892 -36.4994 37.8891 -30.8367 8.85174 -36.4993 8.85179 35.4326 GPRESSAVG: 3100400 1.96383 35.4304 -35.2233 39.4042 -32.4474 10.607 -37.5937 6.96682 37.4234 TIMING: 3100400 CPU: 9337.17, 0.00306449/step Wall: 9337.17, 0.00306449/step, 1.61703 hours remaining, 210.097656 MB of memory in use. ENERGY: 3100400 753.1642 2083.1582 1920.7973 118.3418 -206003.3701 17943.7692 0.0000 0.0000 34506.3780 -148677.7615 301.3528 -183184.1395 -148581.4659 300.4260 9.7009 43.8606 558736.3442 2.1352 2.3133 PRESSURE: 3100600 -16.1494 99.15 176.379 99.1498 -85.7096 81.1982 176.378 81.1982 63.8073 GPRESSURE: 3100600 27.0028 87.9429 200.366 141.141 -59.77 85.9636 140.43 137.267 95.6075 PRESSAVG: 3100600 28.3354 70.2042 22.3336 70.2042 -40.2919 38.2294 22.3337 38.2294 -17.7027 GPRESSAVG: 3100600 29.4565 72.3322 22.9398 69.8093 -40.1544 38.6897 20.5264 39.0389 -19.0729 TIMING: 3100600 CPU: 9337.76, 0.00297376/step Wall: 9337.76, 0.00297376/step, 1.56899 hours remaining, 210.097656 MB of memory in use. ENERGY: 3100600 701.1723 2054.2068 1947.9787 113.7804 -205793.0362 17741.7545 0.0000 0.0000 34406.7618 -148827.3818 300.4828 -183234.1436 -148731.7846 300.7624 -12.6839 20.9468 560677.5836 -9.8864 -9.9236 PRESSURE: 3100800 -81.4109 114.857 -104.539 114.858 21.5485 -212.457 -104.54 -212.456 21.9159 GPRESSURE: 3100800 -13.37 96.9734 -68.5501 83.977 89.6102 -201.892 -49.394 -211.151 -1.02328 PRESSAVG: 3100800 -2.65802 34.9632 23.8323 34.9631 -12.5571 6.45073 23.8324 6.45074 31.1181 GPRESSAVG: 3100800 -3.75569 35.5803 22.745 31.9904 -12.9592 7.81599 26.5519 5.95199 32.2611 TIMING: 3100800 CPU: 9338.36, 0.00299638/step Wall: 9338.36, 0.00299638/step, 1.58075 hours remaining, 210.097656 MB of memory in use. ENERGY: 3100800 743.2977 2067.8745 1946.0221 112.0197 -206128.7297 17913.2508 0.0000 0.0000 34478.8715 -148867.3933 301.1126 -183346.2648 -148770.2292 300.8938 -12.6488 25.0723 558888.9703 5.3010 5.1821 PRESSURE: 3101000 -115.805 -2.60675 36.5809 -2.606 -3.60506 -82.6307 36.5813 -82.6321 -145.545 GPRESSURE: 3101000 -132.608 -54.8149 51.0469 -27.1792 59.3563 -151.161 26.5135 -42.7622 -107.595 PRESSAVG: 3101000 -39.2242 30.2008 -25.1312 30.2009 20.5438 -99.3946 -25.1312 -99.3945 49.4105 GPRESSAVG: 3101000 -39.3484 30.2447 -25.6691 33.1691 21.9515 -102.086 -26.0619 -97.7989 48.5538 TIMING: 3101000 CPU: 9338.97, 0.00302176/step Wall: 9338.97, 0.00302176/step, 1.59398 hours remaining, 210.097656 MB of memory in use. ENERGY: 3101000 745.7668 2021.4105 1937.2740 112.8861 -205704.6905 17712.5528 0.0000 0.0000 34320.8671 -148853.9332 299.7327 -183174.8003 -148756.8494 300.2794 -88.3182 -60.2825 558952.9925 10.2434 10.3856 PRESSURE: 3101200 -26.7606 -4.89164 169.975 -4.89149 -165.073 91.7241 169.975 91.7246 334.286 GPRESSURE: 3101200 -13.4511 2.77711 83.3295 -49.9197 -136.855 -7.55434 127.872 60.0131 379.808 PRESSAVG: 3101200 -50.0057 25.1158 43.7262 25.1158 -76.0472 -30.6791 43.7261 -30.6791 97.3631 GPRESSAVG: 3101200 -49.9769 24.1113 44.53 24.6937 -76.5912 -29.9286 42.6406 -32.3507 97.2923 TIMING: 3101200 CPU: 9339.58, 0.00304631/step Wall: 9339.58, 0.00304631/step, 1.60676 hours remaining, 210.097656 MB of memory in use. ENERGY: 3101200 745.5098 2083.5717 1980.7964 116.2435 -205937.1841 17705.8718 0.0000 0.0000 34257.6470 -149047.5439 299.1806 -183305.1909 -148949.3833 299.6435 47.4840 76.5005 558028.6303 -9.5633 -9.7586 PRESSURE: 3101400 -188.018 -1.28826 -41.8511 -1.28871 13.6234 10.0637 -41.8512 10.0621 61.1296 GPRESSURE: 3101400 -118.075 -73.1128 -29.7295 93.7511 18.8013 101.169 -110.748 -12.7664 89.3816 PRESSAVG: 3101400 7.57714 22.3212 39.2205 22.3211 -56.5033 41.6506 39.2206 41.6506 50.127 GPRESSAVG: 3101400 7.32442 25.0339 39.6498 21.599 -56.6077 43.0392 40.0847 41.6412 50.5121 TIMING: 3101400 CPU: 9340.18, 0.00301804/step Wall: 9340.18, 0.00301804/step, 1.59168 hours remaining, 210.097656 MB of memory in use. ENERGY: 3101400 753.0249 2050.9340 1946.9715 112.2087 -205562.0318 17552.6962 0.0000 0.0000 34398.0087 -148748.1877 300.4064 -183146.1964 -148652.3507 300.1005 -37.7550 -3.2975 559401.6723 0.4003 0.4096 PRESSURE: 3101600 8.96864 87.5832 -105.586 87.584 -380.351 72.5817 -105.586 72.5822 -164.093 GPRESSURE: 3101600 24.5262 53.7069 -60.6824 108.421 -271.423 114.481 -155.126 64.0328 -179.959 PRESSAVG: 3101600 75.1749 28.7715 8.26861 28.7716 -68.549 21.3099 8.26868 21.3099 42.2238 GPRESSAVG: 3101600 75.6064 26.8789 7.70878 30.1945 -68.1353 18.9804 5.64732 22.0706 41.6299 TIMING: 3101600 CPU: 9340.78, 0.00299769/step Wall: 9340.78, 0.00299769/step, 1.58078 hours remaining, 210.097656 MB of memory in use. ENERGY: 3101600 742.1156 2108.5972 1938.6937 102.3618 -205738.9731 17607.6775 0.0000 0.0000 34559.4293 -148680.0980 301.8161 -183239.5273 -148588.1614 300.6415 -178.4917 -142.2851 559594.2059 16.2832 16.3670 PRESSURE: 3101800 -72.5545 27.5657 -79.1447 27.5654 -1.68604 -141.254 -79.1442 -141.252 50.2059 GPRESSURE: 3101800 -27.6446 26.6483 -109.714 25.6236 -0.407863 -50.8413 -98.9711 -148.191 107.47 PRESSAVG: 3101800 23.872 11.5859 12.2369 11.5858 -81.7765 -36.0321 12.2369 -36.0321 46.7275 GPRESSAVG: 3101800 22.5807 11.5701 12.8262 9.9273 -82.3001 -36.1707 15.9745 -36.0181 48.1267 TIMING: 3101800 CPU: 9341.39, 0.00304581/step Wall: 9341.39, 0.00304581/step, 1.60599 hours remaining, 210.097656 MB of memory in use. ENERGY: 3101800 726.3320 2059.9047 1920.6674 118.5413 -205620.6553 17566.3030 0.0000 0.0000 34479.4416 -148749.4654 301.1175 -183228.9070 -148653.3309 301.1804 -8.0116 26.4724 557471.5681 -3.7257 -3.8642 PRESSURE: 3102000 -101.373 -92.1109 -255.112 -92.1115 26.5868 -30.2002 -255.112 -30.2 -315.868 GPRESSURE: 3102000 -56.684 -182.993 -146.309 8.35751 17.2023 -49.8149 -273.602 -12.2722 -264.911 PRESSAVG: 3102000 -30.6489 -13.2863 -44.0509 -13.2864 4.23995 -4.47607 -44.0509 -4.47611 46.7102 GPRESSAVG: 3102000 -29.2255 -12.4658 -44.9777 -14.2885 4.04208 -2.93506 -45.3469 -5.83426 45.519 TIMING: 3102000 CPU: 9342, 0.00304863/step Wall: 9342, 0.00304863/step, 1.60731 hours remaining, 210.097656 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: 3102000 729.6912 2006.7101 1951.8940 111.8185 -205586.9105 17550.8718 0.0000 0.0000 34423.4177 -148812.5073 300.6283 -183235.9250 -148711.8411 300.3967 -130.2179 -101.4642 558231.4208 6.7671 6.7785 PRESSURE: 3102200 114.433 84.3984 41.5884 84.3979 52.7695 -29.191 41.588 -29.1915 131.02 GPRESSURE: 3102200 154.504 145.423 66.1348 61.2201 109.044 68.9464 -9.79028 17.1934 128.064 PRESSAVG: 3102200 61.4149 20.5727 -46.8788 20.5727 -59.3489 25.8341 -46.8789 25.8342 -23.1477 GPRESSAVG: 3102200 60.1595 19.5067 -46.8958 21.942 -57.3773 24.9168 -45.7254 26.6802 -23.0278 TIMING: 3102200 CPU: 9342.61, 0.00305757/step Wall: 9342.61, 0.00305757/step, 1.61185 hours remaining, 210.097656 MB of memory in use. ENERGY: 3102200 731.3098 2002.8480 1950.3255 112.6750 -206287.2007 18095.0426 0.0000 0.0000 34602.6575 -148792.3424 302.1936 -183394.9999 -148696.2242 300.5647 99.4075 130.5373 558386.0934 -7.0272 -6.7486 PRESSURE: 3102400 -29.6607 -104.151 0.00157317 -104.152 -326.896 26.6986 0.00156779 26.6987 -164.013 GPRESSURE: 3102400 -2.86602 -70.8979 132.379 -161.68 -297.368 36.5747 -9.38736 55.4542 -136.927 PRESSAVG: 3102400 25.1625 -14.7265 27.7452 -14.7266 -6.18826 -50.8184 27.7452 -50.8184 -32.53 GPRESSAVG: 3102400 25.6978 -14.1219 28.4175 -13.5397 -6.69912 -50.1673 26.544 -52.0333 -32.466 TIMING: 3102400 CPU: 9343.22, 0.00306691/step Wall: 9343.22, 0.00306691/step, 1.6166 hours remaining, 210.097656 MB of memory in use. ENERGY: 3102400 761.6625 2064.0981 1932.2193 110.0392 -205771.5945 17587.0574 0.0000 0.0000 34476.1177 -148840.4001 301.0885 -183316.5178 -148742.3675 300.3900 -173.5235 -145.7202 560296.7769 -4.5186 -4.4891 PRESSURE: 3102600 -154.966 -45.4818 -20.4254 -45.4812 25.2788 -95.4883 -20.4259 -95.4887 30.4511 GPRESSURE: 3102600 -78.348 -30.9311 20.1037 -115.55 43.3821 -44.6634 -82.7286 -102.441 23.9168 PRESSAVG: 3102600 1.99558 -38.473 4.07408 -38.4729 -28.0777 31.6607 4.07402 31.6608 22.5316 GPRESSAVG: 3102600 1.21182 -39.6337 3.58453 -40.0181 -28.683 30.9963 4.79845 31.3069 23.5221 TIMING: 3102600 CPU: 9343.83, 0.00302396/step Wall: 9343.83, 0.00302396/step, 1.5938 hours remaining, 210.097656 MB of memory in use. ENERGY: 3102600 755.3571 2006.5264 1969.7049 112.9950 -205819.1188 17664.9542 0.0000 0.0000 34499.1179 -148810.4634 301.2894 -183309.5812 -148715.6314 300.8220 -33.0786 -3.6830 557225.5153 -1.1835 -1.3164 PRESSURE: 3102800 -53.858 -83.2271 179.925 -83.228 3.64749 83.0989 179.926 83.098 -107.355 GPRESSURE: 3102800 6.32188 -85.103 173.413 18.3591 -16.2421 127.803 224.428 24.0679 -46.813 PRESSAVG: 3102800 9.4663 25.3253 33.2596 25.3252 -45.7652 -1.30962 33.2596 -1.30971 51.1674 GPRESSAVG: 3102800 9.39235 27.3054 33.4923 26.1009 -45.1398 0.855553 32.085 -1.36938 50.7937 TIMING: 3102800 CPU: 9344.44, 0.00305198/step Wall: 9344.44, 0.00305198/step, 1.60839 hours remaining, 210.097656 MB of memory in use. ENERGY: 3102800 764.1678 2003.3477 1959.7104 105.1213 -205807.9118 17603.9393 0.0000 0.0000 34493.1620 -148878.4632 301.2374 -183371.6252 -148790.4914 300.5844 -52.5218 -18.9110 556623.0671 4.9562 5.0154 PRESSURE: 3103000 -78.7907 38.016 28.891 38.0167 104.485 -3.50016 28.8902 -3.50098 -28.1884 GPRESSURE: 3103000 -53.6693 61.1813 -31.9069 -5.80501 132.843 26.5772 101.947 -39.9761 7.70033 PRESSAVG: 3103000 7.54971 16.5101 60.8586 16.5101 -49.0567 1.27913 60.8586 1.27911 28.0527 GPRESSAVG: 3103000 8.7069 12.8374 59.7902 17.1009 -50.0953 -0.693186 62.3051 3.45398 28.2466 TIMING: 3103000 CPU: 9345.05, 0.00304294/step Wall: 9345.05, 0.00304294/step, 1.60346 hours remaining, 210.097656 MB of memory in use. ENERGY: 3103000 726.5631 2057.0432 1969.1697 94.9316 -205631.6844 17578.1976 0.0000 0.0000 34218.8568 -148986.9225 298.8418 -183205.7793 -148899.5266 299.5529 -0.8313 28.9579 557426.8737 -4.4848 -4.3806 PRESSURE: 3103200 -83.8752 -22.08 45.5459 -22.0793 -213.744 -95.0308 45.5467 -95.0319 -357.093 GPRESSURE: 3103200 -91.137 18.9568 3.02426 83.1564 -174.325 -158.139 49.6511 28.0458 -297.849 PRESSAVG: 3103200 31.3133 -38.3124 40.9064 -38.3124 -64.3469 7.57212 40.9064 7.57209 27.8835 GPRESSAVG: 3103200 29.9197 -35.6219 39.5138 -38.5064 -63.7559 8.32172 40.265 8.25851 28.0146 TIMING: 3103200 CPU: 9345.66, 0.00306869/step Wall: 9345.66, 0.00306869/step, 1.61686 hours remaining, 210.097656 MB of memory in use. ENERGY: 3103200 748.4082 2027.6562 1917.9506 124.9559 -205494.9789 17399.8617 0.0000 0.0000 34198.8525 -149077.2938 298.6671 -183276.1464 -148978.9037 299.4470 -218.2375 -187.7703 559163.6765 -1.7167 -1.9405 PRESSURE: 3103400 -38.1477 103.377 -86.5777 103.376 94.1059 105.569 -86.5777 105.568 45.0838 GPRESSURE: 3103400 -3.43989 29.2671 -26.1025 188.727 129.916 184.713 -92.3768 47.1417 63.4442 PRESSAVG: 3103400 36.9106 -41.8597 14.0682 -41.8597 -79.6066 -42.7996 14.0682 -42.7995 78.9653 GPRESSAVG: 3103400 36.8429 -43.4283 14.4743 -41.2833 -78.6848 -41.5772 13.8894 -44.6865 78.17 TIMING: 3103400 CPU: 9346.27, 0.00307307/step Wall: 9346.27, 0.00307307/step, 1.619 hours remaining, 210.097656 MB of memory in use. ENERGY: 3103400 745.6267 2024.3673 1946.9415 114.2960 -205783.0492 17699.7890 0.0000 0.0000 34118.6308 -149133.3979 297.9665 -183252.0288 -149037.7333 299.0702 33.6807 63.3069 557252.1378 12.0898 12.1094 PRESSURE: 3103600 64.894 -45.1806 -19.3108 -45.1803 -87.1087 -88.0386 -19.3101 -88.0372 -87.3644 GPRESSURE: 3103600 78.2287 9.20106 -122.774 -100.627 -39.0213 -110.04 49.846 -18.0056 -54.9677 PRESSAVG: 3103600 -13.3144 24.0561 31.863 24.0561 -57.0996 -67.7349 31.863 -67.7349 77.4135 GPRESSAVG: 3103600 -13.645 25.4281 33.0806 21.6815 -56.9778 -68.9025 30.9747 -65.9502 77.5316 TIMING: 3103600 CPU: 9346.88, 0.00303742/step Wall: 9346.88, 0.00303742/step, 1.60005 hours remaining, 210.097656 MB of memory in use. ENERGY: 3103600 703.2105 2059.7198 1964.3168 104.2533 -205734.7136 17580.5623 0.0000 0.0000 34079.9870 -149242.6638 297.6290 -183322.6509 -149146.6363 298.5407 -36.5264 -5.2534 557081.8626 2.3332 2.3030 PRESSURE: 3103800 -241.209 117.278 -80.1239 117.279 -141.643 -182.629 -80.1225 -182.63 -105.154 GPRESSURE: 3103800 -223.783 27.2385 -99.3519 145.026 -63.2925 -192.677 10.7303 -170.265 -102.581 PRESSAVG: 3103800 -52.2469 23.9874 7.45371 23.9875 -14.6408 -38.887 7.45364 -38.887 32.6928 GPRESSAVG: 3103800 -52.0494 23.0323 6.83983 25.4131 -14.4353 -38.6978 10.5693 -40.2798 32.6795 TIMING: 3103800 CPU: 9347.49, 0.00301983/step Wall: 9347.49, 0.00301983/step, 1.59061 hours remaining, 210.097656 MB of memory in use. ENERGY: 3103800 750.6152 2121.1998 1947.9574 108.0396 -205814.9715 17550.3941 0.0000 0.0000 34253.6204 -149083.1450 299.1454 -183336.7654 -148984.0136 299.3878 -162.6686 -129.8855 558026.9499 -11.3983 -11.2684 PRESSURE: 3104000 -16.6262 113.049 154.933 113.047 180.999 -46.5504 154.934 -46.5511 96.9797 GPRESSURE: 3104000 28.5609 180.145 83.0508 109.018 215.606 -6.61751 188.655 -64.8004 108.346 PRESSAVG: 3104000 -88.9823 -11.814 -14.785 -11.8142 28.5588 -2.79224 -14.7851 -2.79233 71.4582 GPRESSAVG: 3104000 -89.4174 -12.0571 -14.7812 -11.0606 28.3744 -3.43123 -16.96 -2.0804 71.9709 TIMING: 3104000 CPU: 9348.09, 0.0030264/step Wall: 9348.09, 0.0030264/step, 1.5939 hours remaining, 210.097656 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: 3104000 713.6830 2052.9866 1933.4562 110.9574 -205876.1831 17783.8380 0.0000 0.0000 34274.4380 -149006.8238 299.3272 -183281.2619 -148913.4075 299.6442 87.1175 117.5044 555780.3598 3.6783 3.6426 PRESSURE: 3104200 18.5609 -32.4992 31.0141 -32.4975 -222.411 -46.1264 31.0139 -46.1264 19.0027 GPRESSURE: 3104200 39.7757 13.087 -42.4721 -5.74419 -159.249 17.3475 70.8757 -78.4799 36.256 PRESSAVG: 3104200 4.77443 14.3988 -16.2091 14.3989 -54.7762 -35.2136 -16.2091 -35.2137 58.1116 GPRESSAVG: 3104200 5.20859 15.9441 -15.0384 13.6379 -55.2294 -34.6959 -16.4008 -34.4323 58.0437 TIMING: 3104200 CPU: 9348.7, 0.0030458/step Wall: 9348.7, 0.0030458/step, 1.60395 hours remaining, 210.097656 MB of memory in use. ENERGY: 3104200 738.3910 2077.3867 1946.5801 106.6284 -206104.8061 17722.2829 0.0000 0.0000 34460.0448 -149053.4923 300.9481 -183513.5371 -148958.0064 299.4623 -61.6156 -27.7390 556734.3012 2.7033 2.6743 LDB: ============= START OF LOAD BALANCING ============== 9352.22 LDB: ============== END OF LOAD BALANCING =============== 9352.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9352.22 LDB: ============= START OF LOAD BALANCING ============== 9352.52 LDB: Largest compute 4774 load 0.031016 is 26.2% of average load 0.118170 LDB: Average compute 0.001734 is 1.5% of average load 0.118170 LDB: TIME 9352.52 LOAD: AVG 0.11817 MAX 0.210763 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.676 MB LDB: TIME 9352.52 LOAD: AVG 0.11817 MAX 0.210763 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.879 MB LDB: TIME 9352.52 LOAD: AVG 0.11817 MAX 0.210763 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.879 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9352.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9352.53 PRESSURE: 3104400 -229.486 -180.468 22.6627 -180.467 181.724 -44.2081 22.6619 -44.2085 143.03 GPRESSURE: 3104400 -160.504 -211.427 -43.9296 -118.584 193.285 -13.4371 14.778 -38.1484 159.125 PRESSAVG: 3104400 76.4824 -38.0134 -0.0354795 -38.0134 -25.6719 -23.6826 -0.0355593 -23.6826 -68.6045 GPRESSAVG: 3104400 77.4387 -38.8328 -1.48111 -39.1831 -24.9242 -23.555 1.8807 -22.4589 -70.8821 TIMING: 3104400 CPU: 9349.31, 0.00304172/step Wall: 9349.31, 0.00304172/step, 1.60163 hours remaining, 210.871094 MB of memory in use. ENERGY: 3104400 710.2599 2041.6183 1930.9470 108.1353 -205810.9477 17707.0323 0.0000 0.0000 34275.4983 -149037.4566 299.3365 -183312.9549 -148943.0448 299.2572 31.7562 63.9687 558786.8998 -5.9313 -6.1225 PRESSURE: 3104600 -177.988 -110.328 18.825 -110.326 -256.64 -111.53 18.8254 -111.53 -38.9586 GPRESSURE: 3104600 -178.198 -167.714 -87.2938 -52.2393 -208.853 -133.627 122.551 -149.617 11.7605 PRESSAVG: 3104600 26.5965 -30.0507 24.0327 -30.0507 -9.8473 -0.846949 24.0327 -0.846926 -25.5456 GPRESSAVG: 3104600 25.9399 -30.9822 27.2562 -30.0604 -11.7819 -0.196891 19.8336 -2.97509 -23.0268 TIMING: 3104600 CPU: 9349.91, 0.0030137/step Wall: 9349.91, 0.0030137/step, 1.58671 hours remaining, 210.937500 MB of memory in use. ENERGY: 3104600 734.1380 2044.3563 1941.9454 102.7210 -205730.1278 17462.4480 0.0000 0.0000 34514.3129 -148930.2063 301.4221 -183444.5191 -148829.7910 299.6282 -157.8623 -125.0969 557668.3110 -2.9321 -2.9563 PRESSURE: 3104800 491.47 -150.261 193.698 -150.26 146.879 172.427 193.699 172.426 25.9312 GPRESSURE: 3104800 529.631 -143.425 169.556 -174.842 199.198 225.931 142.804 156.433 23.946 PRESSAVG: 3104800 28.9134 -62.0969 70.9239 -62.0969 1.26173 -79.2493 70.9239 -79.2492 -12.9655 GPRESSAVG: 3104800 28.6848 -62.6835 68.9399 -59.8865 1.58182 -79.5889 73.2653 -80.6524 -13.607 TIMING: 3104800 CPU: 9350.52, 0.00302436/step Wall: 9350.52, 0.00302436/step, 1.59216 hours remaining, 210.937500 MB of memory in use. ENERGY: 3104800 718.1499 2009.2786 1926.4847 102.1788 -206303.8106 17998.0179 0.0000 0.0000 34502.7916 -149046.9091 301.3215 -183549.7007 -148948.5406 300.0607 221.4265 250.9251 556475.2385 5.7365 5.5532 PRESSURE: 3105000 26.5074 -59.71 -2.3712 -59.7101 68.227 -125.052 -2.37142 -125.05 -24.5763 GPRESSURE: 3105000 45.8759 -9.2874 30.9908 -60.8079 114.825 -103.423 -21.1934 -147.893 -10.8158 PRESSAVG: 3105000 35.6091 -48.0045 21.7403 -48.0046 5.08609 13.6913 21.7403 13.6914 -78.0081 GPRESSAVG: 3105000 36.4746 -44.8315 21.6342 -49.7513 4.44604 14.1667 23.154 15.5674 -78.214 TIMING: 3105000 CPU: 9351.12, 0.00303576/step Wall: 9351.12, 0.00303576/step, 1.59799 hours remaining, 210.937500 MB of memory in use. ENERGY: 3105000 720.7194 2064.5945 1950.8222 129.4860 -206002.4219 17812.2693 0.0000 0.0000 34391.5647 -148932.9659 300.3501 -183324.5305 -148838.8819 299.7573 23.3860 49.9619 558329.6731 -12.4376 -12.4311 PRESSURE: 3105200 128.135 -240.595 105.052 -240.594 219.663 -59.4801 105.052 -59.4802 68.023 GPRESSURE: 3105200 131.342 -195.455 67.6277 -221.475 274.315 -81.4708 21.7233 -29.3441 100.035 PRESSAVG: 3105200 20.5437 -10.2428 -32.3167 -10.243 -31.1376 38.3425 -32.3167 38.3426 43.862 GPRESSAVG: 3105200 18.9673 -12.3283 -31.2696 -10.9368 -29.888 36.6264 -34.751 38.039 44.2984 TIMING: 3105200 CPU: 9351.72, 0.00299466/step Wall: 9351.72, 0.00299466/step, 1.57619 hours remaining, 210.937500 MB of memory in use. ENERGY: 3105200 718.2626 2072.0063 1949.5671 122.1795 -206377.9008 18162.3358 0.0000 0.0000 34424.8086 -148928.7409 300.6404 -183353.5495 -148831.2418 300.1989 138.6070 168.5637 556954.6856 11.0893 11.1259 PRESSURE: 3105400 -77.53 22.637 9.63105 22.6379 131.383 -144.144 9.6301 -144.144 23.1378 GPRESSURE: 3105400 -20.2819 24.1737 -46.6383 86.2022 152.228 -54.856 45.2019 -132.149 32.8226 PRESSAVG: 3105400 46.3948 3.73145 -46.0478 3.7316 -4.94138 -5.875 -46.0478 -5.87497 -47.7494 GPRESSAVG: 3105400 47.1583 3.72315 -47.3393 4.27365 -5.90111 -5.21981 -45.48 -5.07839 -48.0711 TIMING: 3105400 CPU: 9352.32, 0.0029705/step Wall: 9352.32, 0.0029705/step, 1.56331 hours remaining, 210.937500 MB of memory in use. ENERGY: 3105400 722.5828 2088.2533 1939.0351 110.3090 -205916.6109 17844.9931 0.0000 0.0000 34350.2993 -148861.1383 299.9897 -183211.4376 -148765.0322 300.2639 25.6637 54.9229 559461.6915 -2.0987 -2.2713 PRESSURE: 3105600 24.001 109.919 9.02045 109.919 -48.7215 -232.308 9.0193 -232.309 63.9332 GPRESSURE: 3105600 27.3886 157.926 6.31844 159.565 25.2878 -145.875 64.8394 -279.856 80.0191 PRESSAVG: 3105600 -28.1895 18.7645 -22.2386 18.7646 -27.803 -24.4132 -22.2387 -24.4132 -8.77123 GPRESSAVG: 3105600 -27.9953 19.1901 -21.4724 18.1353 -27.7487 -23.6864 -18.8835 -25.0219 -9.37952 TIMING: 3105600 CPU: 9352.91, 0.00297563/step Wall: 9352.91, 0.00297563/step, 1.56584 hours remaining, 210.937500 MB of memory in use. ENERGY: 3105600 736.2694 2061.7882 1935.6633 112.1884 -205730.5483 17631.4442 0.0000 0.0000 34373.0715 -148880.1233 300.1886 -183253.1948 -148788.7823 299.8111 13.0709 44.2318 558712.2028 -21.5879 -21.7079 PRESSURE: 3105800 -230.689 31.7 116.871 31.7008 -125.176 -84.6507 116.871 -84.6489 113.563 GPRESSURE: 3105800 -215.266 64.1624 134.402 -69.3836 -85.2349 -107.704 122.38 -40.8019 144.955 PRESSAVG: 3105800 14.3606 28.8758 -0.0591005 28.8757 -5.91676 -24.6096 -0.0591055 -24.6097 -21.178 GPRESSAVG: 3105800 14.1111 30.2143 -2.28432 28.8666 -5.98426 -25.4686 -1.27032 -24.9817 -20.9179 TIMING: 3105800 CPU: 9353.51, 0.00301109/step Wall: 9353.51, 0.00301109/step, 1.58434 hours remaining, 210.937500 MB of memory in use. ENERGY: 3105800 723.0666 2060.6481 1961.3362 108.0199 -205426.3357 17435.8302 0.0000 0.0000 34123.0772 -149014.3574 298.0053 -183137.4345 -148916.1970 299.5387 -80.7674 -51.8487 557392.0005 -4.2447 -4.2637 PRESSURE: 3106000 166.467 -140.271 87.7926 -140.271 48.7719 -180.606 87.7916 -180.607 89.3416 GPRESSURE: 3106000 236.553 -76.4766 96.9193 -118.294 51.7833 -219.086 98.9746 -111.359 118.923 PRESSAVG: 3106000 28.6521 33.2949 3.86575 33.2949 2.57502 -22.2797 3.86573 -22.2796 -18.5494 GPRESSAVG: 3106000 29.7494 32.0424 5.53269 34.0153 2.52924 -22.2182 3.8566 -22.4126 -19.258 TIMING: 3106000 CPU: 9354.12, 0.00301806/step Wall: 9354.12, 0.00301806/step, 1.58783 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: 3106000 749.8524 2081.1115 1960.6166 116.3975 -206203.1916 17911.8658 0.0000 0.0000 34420.4688 -148962.8790 300.6025 -183383.3478 -148863.6023 300.1798 101.5267 135.7531 556952.9848 4.2259 4.3402 PRESSURE: 3106200 -155.385 -64.2756 12.2184 -64.2742 -167.971 -77.8402 12.2183 -77.8416 -81.449 GPRESSURE: 3106200 -165.527 -116.458 45.7272 -31.0221 -109.22 -140.836 -33.5978 -94.6199 -37.3165 PRESSAVG: 3106200 21.5218 13.7625 -15.1564 13.7625 -77.6585 -16.157 -15.1564 -16.1571 48.574 GPRESSAVG: 3106200 21.8034 15.0082 -14.4726 12.7566 -78.1798 -18.3715 -15.7606 -15.7378 49.2977 TIMING: 3106200 CPU: 9354.72, 0.00303176/step Wall: 9354.72, 0.00303176/step, 1.59487 hours remaining, 210.937500 MB of memory in use. ENERGY: 3106200 724.5844 2050.0508 1935.2378 117.1554 -205707.0534 17492.3405 0.0000 0.0000 34281.0490 -149106.6355 299.3849 -183387.6844 -149014.4645 300.1343 -134.9349 -104.0210 558840.3315 -2.5209 -2.3596 PRESSURE: 3106400 -216.121 -80.7779 21.7153 -80.7775 -285.909 -30.9272 21.7163 -30.9264 -101.208 GPRESSURE: 3106400 -159.194 -86.7427 72.0965 -66.1393 -253.39 36.3393 -29.09 -71.156 -94.0978 PRESSAVG: 3106400 -46.0025 -8.73346 -8.07759 -8.73349 -50.1682 4.95064 -8.07766 4.95072 60.9291 GPRESSAVG: 3106400 -46.7303 -11.2562 -8.15236 -7.59233 -49.7622 4.61151 -9.02342 4.31245 61.4932 TIMING: 3106400 CPU: 9355.33, 0.00301869/step Wall: 9355.33, 0.00301869/step, 1.58783 hours remaining, 210.937500 MB of memory in use. ENERGY: 3106400 753.1146 2115.3551 1960.5616 106.9904 -205754.6145 17382.3123 0.0000 0.0000 34413.6513 -149022.6291 300.5430 -183436.2804 -148926.8266 299.3797 -201.0794 -168.8941 557806.4948 -11.7472 -11.6664 PRESSURE: 3106600 -40.6275 87.1257 -86.5808 87.1263 -75.6188 71.2805 -86.5822 71.28 -16.6845 GPRESSURE: 3106600 20.0985 102.94 -244.118 72.3429 -42.0784 71.3966 -52.3724 -4.10789 -11.9158 PRESSAVG: 3106600 24.901 5.64524 -5.22435 5.64529 -16.8562 3.12794 -5.22424 3.128 -0.0255782 GPRESSAVG: 3106600 23.9203 8.09898 -8.116 5.33633 -16.2748 4.55371 -3.19237 4.01253 0.230786 TIMING: 3106600 CPU: 9355.93, 0.00303234/step Wall: 9355.93, 0.00303234/step, 1.59484 hours remaining, 211.230469 MB of memory in use. ENERGY: 3106600 771.8884 2045.0877 1958.0806 111.8108 -206014.9659 17651.3049 0.0000 0.0000 34320.0126 -149156.7810 299.7252 -183476.7936 -149057.9574 299.8328 -44.3103 -11.2986 556948.7849 2.6731 2.6254 PRESSURE: 3106800 83.8588 -71.9481 168.214 -71.9473 -148.571 47.1088 168.214 47.1096 100.193 GPRESSURE: 3106800 84.6246 -15.0008 203.155 -158.89 -91.9521 106.226 97.8823 30.1604 131.415 PRESSAVG: 3106800 25.4097 -12.822 13.8642 -12.822 -25.4409 -45.878 13.8642 -45.8779 -3.28285 GPRESSAVG: 3106800 26.701 -12.6936 15.7479 -13.0637 -26.2293 -46.133 12.323 -46.0384 -3.98745 TIMING: 3106800 CPU: 9356.54, 0.00304293/step Wall: 9356.54, 0.00304293/step, 1.60024 hours remaining, 211.230469 MB of memory in use. ENERGY: 3106800 706.4759 2141.0681 1956.4598 112.3691 -205756.1924 17570.4010 0.0000 0.0000 34237.1366 -149032.2819 299.0014 -183269.4185 -148933.2732 299.1507 11.8267 41.3624 556998.1550 -1.1047 -1.1719 PRESSURE: 3107000 239.932 -16.1871 89.471 -16.1881 -33.6402 149.795 89.4705 149.796 9.06925 GPRESSURE: 3107000 273.381 -17.1253 73.5566 -23.2163 22.1251 76.6953 183.789 171.406 22.4693 PRESSAVG: 3107000 -22.8932 -3.53524 -30.6245 -3.53527 -61.6524 -27.593 -30.6245 -27.593 78.8883 GPRESSAVG: 3107000 -23.2962 -6.83394 -28.7426 -2.22892 -60.4179 -26.1298 -32.6715 -28.3173 78.346 TIMING: 3107000 CPU: 9357.15, 0.00303749/step Wall: 9357.15, 0.00303749/step, 1.59722 hours remaining, 211.230469 MB of memory in use. ENERGY: 3107000 746.7752 2059.2838 1950.7097 113.7517 -206369.4405 18174.1575 0.0000 0.0000 34441.7920 -148882.9706 300.7887 -183324.7626 -148786.5635 299.5683 71.7870 105.9918 558734.5079 -1.8858 -1.7893 PRESSURE: 3107200 -129.971 66.9544 -138.74 66.9543 -131.419 -94.5219 -138.741 -94.5239 -236.473 GPRESSURE: 3107200 -111.014 88.7118 -98.5485 28.5649 -106.017 -57.0713 -173.52 -54.8525 -190.095 PRESSAVG: 3107200 41.8899 1.56197 28.3779 1.56195 33.0769 4.25887 28.378 4.25881 -36.425 GPRESSAVG: 3107200 41.971 3.9284 29.2955 0.504299 31.6047 3.56457 29.6007 5.70787 -35.3976 TIMING: 3107200 CPU: 9357.76, 0.00304501/step Wall: 9357.76, 0.00304501/step, 1.601 hours remaining, 211.230469 MB of memory in use. ENERGY: 3107200 750.5701 2190.8362 1947.7342 98.1455 -205970.5946 17651.3864 0.0000 0.0000 34340.3181 -148991.6041 299.9025 -183331.9222 -148891.6124 299.9814 -165.9546 -135.7086 558211.6029 12.8473 12.7260 PRESSURE: 3107400 -85.2676 119.045 90.321 119.045 -165.14 -34.9003 90.3221 -34.8997 -359.564 GPRESSURE: 3107400 -76.2526 123.97 117.991 155.184 -108.775 -35.6309 83.5812 -7.33031 -327.018 PRESSAVG: 3107400 8.21915 -27.1968 -27.1136 -27.1968 21.9677 -11.9816 -27.1136 -11.9815 -39.9897 GPRESSAVG: 3107400 7.94337 -27.8598 -29.1885 -28.8208 22.0695 -13.654 -24.815 -11.1156 -39.6623 TIMING: 3107400 CPU: 9358.36, 0.00302746/step Wall: 9358.36, 0.00302746/step, 1.5916 hours remaining, 211.230469 MB of memory in use. ENERGY: 3107400 749.5131 2073.1763 1921.4583 102.5037 -205461.3561 17423.2268 0.0000 0.0000 34210.8753 -148980.6026 298.7721 -183191.4779 -148879.0822 299.3408 -203.3237 -170.6818 558359.3974 -3.2676 -3.2165 PRESSURE: 3107600 -204.088 121.193 -126.343 121.192 137.503 98.3994 -126.343 98.3991 -32.3516 GPRESSURE: 3107600 -166.146 198.975 -144.18 118.932 166.123 93.2266 -162.21 84.9964 1.80934 PRESSAVG: 3107600 60.1992 -27.4552 -14.9136 -27.455 55.1988 32.2512 -14.9135 32.2513 -73.487 GPRESSAVG: 3107600 60.5447 -29.2657 -14.0207 -24.1016 56.2001 34.6021 -15.8076 30.361 -75.014 TIMING: 3107600 CPU: 9358.96, 0.00297493/step Wall: 9358.96, 0.00297493/step, 1.56382 hours remaining, 211.230469 MB of memory in use. ENERGY: 3107600 708.2826 2097.3751 1930.0501 105.4338 -206053.8581 17672.7803 0.0000 0.0000 34385.7803 -149154.1559 300.2996 -183539.9362 -149052.7396 299.5549 -32.9788 0.5954 557300.6805 13.9703 13.9103 PRESSURE: 3107800 100.357 -125.476 4.47649 -125.476 -66.6055 101.684 4.47702 101.684 158.393 GPRESSURE: 3107800 116.212 -161.847 80.1897 -147.805 -25.7487 70.5995 23.433 130.876 193.466 PRESSAVG: 3107800 27.2236 -37.7982 -8.16053 -37.798 19.9275 24.8363 -8.16062 24.8362 3.29009 GPRESSAVG: 3107800 27.5533 -35.6293 -7.8919 -41.0606 19.4783 23.4977 -9.00563 25.8591 3.5263 TIMING: 3107800 CPU: 9359.55, 0.00297195/step Wall: 9359.55, 0.00297195/step, 1.56209 hours remaining, 211.230469 MB of memory in use. ENERGY: 3107800 767.1622 2068.5992 1945.5404 115.1395 -206009.0013 17828.7796 0.0000 0.0000 34160.0211 -149123.7592 298.3280 -183283.7803 -149031.7917 298.7799 64.0482 94.6430 556847.6229 16.8137 16.8526 PRESSURE: 3108000 -211.562 -255.471 43.3647 -255.47 -106.642 -169.341 43.3651 -169.342 -19.2893 GPRESSURE: 3108000 -195.656 -233.503 46.7866 -190.798 -100.189 -142.122 103.495 -145.856 56.5996 PRESSAVG: 3108000 6.17578 -53.6696 -40.2521 -53.6696 43.3566 -37.1853 -40.2521 -37.1853 -27.8023 GPRESSAVG: 3108000 5.69014 -53.9311 -40.9505 -53.7412 43.4509 -37.509 -38.2617 -36.2825 -28.262 TIMING: 3108000 CPU: 9360.15, 0.0029999/step Wall: 9360.15, 0.0029999/step, 1.57661 hours remaining, 211.230469 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: 3108000 762.1274 2126.7379 1923.3981 119.2155 -206004.0529 17574.0469 0.0000 0.0000 34287.9713 -149210.5558 299.4454 -183498.5271 -149115.2532 298.9721 -112.4976 -79.7485 558892.6950 7.2434 6.9597 PRESSURE: 3108200 -137.598 -132.293 8.88379 -132.294 70.2502 -154.683 8.88386 -154.685 -97.9675 GPRESSURE: 3108200 -153.66 -61.127 -64.2317 -229.363 121.468 -157.314 2.18132 -180.213 -46.6006 PRESSAVG: 3108200 20.0548 -48.7192 -7.50711 -48.7192 3.97428 -55.4781 -7.50718 -55.4781 -11.3419 GPRESSAVG: 3108200 19.5464 -48.2868 -5.50459 -48.7954 3.89065 -51.9229 -9.70936 -58.1485 -10.7038 TIMING: 3108200 CPU: 9360.76, 0.00304579/step Wall: 9360.76, 0.00304579/step, 1.60056 hours remaining, 211.230469 MB of memory in use. ENERGY: 3108200 783.0273 2133.5392 1932.1902 111.8627 -206381.4967 18008.5411 0.0000 0.0000 34305.5853 -149106.7510 299.5992 -183412.3363 -149014.0807 299.1228 -55.1053 -26.2643 557948.5518 4.2291 4.2444 LDB: ============= START OF LOAD BALANCING ============== 9364.28 LDB: ============== END OF LOAD BALANCING =============== 9364.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9364.28 LDB: ============= START OF LOAD BALANCING ============== 9364.58 LDB: Largest compute 4774 load 0.030839 is 26.1% of average load 0.118141 LDB: Average compute 0.001742 is 1.5% of average load 0.118141 LDB: TIME 9364.59 LOAD: AVG 0.118141 MAX 0.209685 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.039 MB LDB: TIME 9364.59 LOAD: AVG 0.118141 MAX 0.209685 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.039 MB LDB: TIME 9364.59 LOAD: AVG 0.118141 MAX 0.209685 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.039 MB LDB: ============== END OF LOAD BALANCING =============== 9364.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9364.59 PRESSURE: 3108400 -11.6365 -53.8244 -54.431 -53.8236 -186.573 91.574 -54.4316 91.5732 -54.9465 GPRESSURE: 3108400 -57.9395 -7.67235 -64.5809 -71.9695 -106.102 94.05 -59.7994 107.425 9.17365 PRESSAVG: 3108400 16.8943 4.12973 -1.47999 4.12968 -74.2607 52.1475 -1.48002 52.1475 41.4755 GPRESSAVG: 3108400 16.8704 2.2404 -4.8344 4.37773 -74.9024 48.6247 0.153235 53.0916 42.5354 TIMING: 3108400 CPU: 9361.38, 0.003066/step Wall: 9361.38, 0.003066/step, 1.61101 hours remaining, 209.527344 MB of memory in use. ENERGY: 3108400 728.3802 2085.0532 1929.7745 99.4955 -206051.1848 17692.0297 0.0000 0.0000 34485.0268 -149031.4248 301.1663 -183516.4516 -148931.1445 300.0846 -84.3853 -51.6226 559673.4699 -5.2970 -5.1655 PRESSURE: 3108600 -122.456 76.8168 188.194 76.8191 186.969 -114.736 188.194 -114.736 68.4892 GPRESSURE: 3108600 -79.0755 40.1419 222.986 147.859 191.029 -132.084 109.165 -107.277 120.973 PRESSAVG: 3108600 -5.45786 14.2299 -3.52542 14.23 23.1206 -25.4546 -3.52548 -25.4545 -8.11494 GPRESSAVG: 3108600 -4.86919 14.2779 -2.204 14.2194 23.5414 -25.1409 -5.82863 -25.6543 -8.83607 TIMING: 3108600 CPU: 9361.97, 0.00298583/step Wall: 9361.97, 0.00298583/step, 1.56872 hours remaining, 209.730469 MB of memory in use. ENERGY: 3108600 715.7180 2090.0583 1956.4860 117.5038 -206027.5165 17774.1504 0.0000 0.0000 34300.9028 -149072.6971 299.5583 -183373.5999 -148973.9285 299.5169 44.3339 77.6424 557815.2768 3.1826 3.2787 PRESSURE: 3108800 -187.198 82.2674 8.88575 82.2673 -267.902 60.4742 8.88529 60.4742 -180.41 GPRESSURE: 3108800 -183.995 29.4809 36.374 149.947 -227.192 73.5892 20.758 122.038 -125.874 PRESSAVG: 3108800 -8.26981 41.8777 -36.3921 41.8776 33.2801 -15.2959 -36.3922 -15.2959 -27.921 GPRESSAVG: 3108800 -8.35059 44.3261 -34.638 42.8818 34.2425 -13.9373 -36.7709 -14.9663 -28.8088 TIMING: 3108800 CPU: 9362.58, 0.00303582/step Wall: 9362.58, 0.00303582/step, 1.59482 hours remaining, 209.730469 MB of memory in use. ENERGY: 3108800 751.4506 2049.3612 1945.4294 108.0921 -205575.7398 17497.4228 0.0000 0.0000 34176.1830 -149047.8006 298.4691 -183223.9837 -148952.0230 299.4202 -211.8367 -179.0204 557943.0103 -0.9702 -0.9723 PRESSURE: 3109000 -193.749 51.845 -17.4303 51.8451 -265.971 107.48 -17.4298 107.479 -244.237 GPRESSURE: 3109000 -136.946 -6.01182 -68.1147 109.599 -239.332 61.947 6.86504 116.875 -234.809 PRESSAVG: 3109000 -42.756 -11.3087 -19.0086 -11.3088 -3.73127 35.5736 -19.0086 35.5736 -0.572183 GPRESSAVG: 3109000 -42.3643 -13.7973 -18.7243 -10.6953 -4.88218 37.0329 -16.47 34.1308 0.414103 TIMING: 3109000 CPU: 9363.19, 0.00304066/step Wall: 9363.19, 0.00304066/step, 1.59719 hours remaining, 209.730469 MB of memory in use. ENERGY: 3109000 759.0356 2067.5435 1963.6021 102.9015 -206067.6330 17740.8155 0.0000 0.0000 34249.1241 -149184.6106 299.1061 -183433.7347 -149087.8972 299.4955 -234.6524 -203.6955 559784.5984 -15.6865 -15.6108 PRESSURE: 3109200 1.54982 16.3262 -154.174 16.3258 -10.1026 73.7619 -154.173 73.7614 -124.062 GPRESSURE: 3109200 64.8242 14.6257 -138.041 61.0792 18.0338 47.7322 -122.878 75.1437 -117.633 PRESSAVG: 3109200 30.5816 -16.9152 8.89716 -16.9151 0.793873 -8.94368 8.89711 -8.94371 -22.8668 GPRESSAVG: 3109200 29.9345 -16.0095 7.27524 -15.5986 1.66057 -10.702 8.98091 -7.2809 -23.0419 TIMING: 3109200 CPU: 9363.8, 0.0030297/step Wall: 9363.8, 0.0030297/step, 1.59127 hours remaining, 209.730469 MB of memory in use. ENERGY: 3109200 756.9020 2088.0016 1945.5839 115.2495 -205998.1578 17729.9255 0.0000 0.0000 34338.1149 -149024.3804 299.8833 -183362.4953 -148927.1255 299.9221 -44.2051 -11.5917 558256.7883 2.8362 2.8511 PRESSURE: 3109400 176.746 -59.5848 8.87869 -59.5845 -3.36337 -70.0356 8.87782 -70.0354 317.364 GPRESSURE: 3109400 222.308 -65.1579 -41.3314 -23.8096 2.00297 -156.683 41.7647 22.7677 375.949 PRESSAVG: 3109400 9.09049 10.5603 -69.318 10.5603 1.09758 -27.7558 -69.3181 -27.7558 -28.0775 GPRESSAVG: 3109400 7.43645 11.8568 -66.8622 9.81963 1.28435 -27.8622 -69.9892 -27.9978 -26.7729 TIMING: 3109400 CPU: 9364.4, 0.00300292/step Wall: 9364.4, 0.00300292/step, 1.57703 hours remaining, 209.730469 MB of memory in use. ENERGY: 3109400 717.8011 2182.6655 1937.8592 112.8815 -205860.8995 17753.3175 0.0000 0.0000 34310.5794 -148845.7952 299.6428 -183156.3746 -148752.7525 299.8751 163.5824 200.0864 556784.3296 -5.9632 -6.0174 PRESSURE: 3109600 73.3031 84.3099 6.13517 84.3107 73.0976 -126.279 6.13463 -126.279 -12.7214 GPRESSURE: 3109600 108.104 94.2866 -7.28407 59.0508 120.617 -132.696 -2.49793 -77.8111 20.1677 PRESSAVG: 3109600 32.7389 43.7727 -51.5088 43.7726 -83.6691 7.35334 -51.5088 7.35345 26.5197 GPRESSAVG: 3109600 33.6784 43.4294 -52.5791 43.2221 -83.5123 6.55194 -51.815 7.69526 26.0648 TIMING: 3109600 CPU: 9365, 0.00301003/step Wall: 9365, 0.00301003/step, 1.5806 hours remaining, 209.730469 MB of memory in use. ENERGY: 3109600 709.5321 2048.9060 1935.9090 117.4284 -206194.2203 17899.3382 0.0000 0.0000 34423.1711 -149059.9355 300.6261 -183483.1065 -148960.6485 299.9957 44.5598 82.9629 557870.5112 -8.1368 -7.9231 PRESSURE: 3109800 -290.613 235.943 -128.319 235.944 -111.656 62.2137 -128.319 62.2133 -352.405 GPRESSURE: 3109800 -269.573 198.577 -192.758 156.672 -99.5857 63.8403 -162.552 100.683 -298.576 PRESSAVG: 3109800 3.67359 -1.48604 25.6672 -1.48601 -7.14276 -78.6149 25.6673 -78.6149 30.5298 GPRESSAVG: 3109800 4.61085 -2.95099 24.3924 -3.48862 -7.88459 -77.3199 23.7515 -78.4876 30.5637 TIMING: 3109800 CPU: 9365.6, 0.00299075/step Wall: 9365.6, 0.00299075/step, 1.57031 hours remaining, 209.730469 MB of memory in use. ENERGY: 3109800 743.1764 2160.0462 1950.3074 107.0213 -205573.0349 17361.0334 0.0000 0.0000 34150.7570 -149100.6931 298.2471 -183251.4501 -148998.5470 299.9792 -251.5580 -222.5785 558175.7563 9.0202 9.0967 PRESSURE: 3110000 -20.7548 -38.5789 -20.8812 -38.5784 95.5432 -40.2611 -20.8819 -40.2629 53.9916 GPRESSURE: 3110000 7.27637 -84.5291 44.2797 14.1914 177.913 -42.7574 -100.318 -35.077 41.3725 PRESSAVG: 3110000 18.4205 -40.46 -15.9662 -40.46 -0.84303 -35.3892 -15.966 -35.3892 -26.7153 GPRESSAVG: 3110000 16.9903 -38.713 -16.3394 -39.2349 -0.310281 -36.2833 -12.4793 -35.9278 -26.1753 TIMING: 3110000 CPU: 9366.2, 0.00302906/step Wall: 9366.2, 0.00302906/step, 1.59026 hours remaining, 209.730469 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: 3110000 724.9545 2079.2796 1959.8388 106.6383 -205746.0074 17662.9679 0.0000 0.0000 34228.3919 -148983.9363 298.9251 -183212.3283 -148891.0003 299.6015 42.9267 75.5207 556962.0274 -3.0460 -3.1651 PRESSURE: 3110200 -192.974 39.3482 -210.407 39.3478 49.0386 86.9024 -210.406 86.9018 8.57562 GPRESSURE: 3110200 -168.66 -60.21 -284.341 98.5765 80.1625 184.157 -210.868 13.0251 38.5265 PRESSAVG: 3110200 24.6077 14.2633 -82.1987 14.2634 -24.8104 -41.7927 -82.1986 -41.7926 13.6194 GPRESSAVG: 3110200 24.7545 13.7551 -80.1704 14.2239 -24.2956 -43.4046 -84.2971 -41.6315 13.2535 TIMING: 3110200 CPU: 9366.81, 0.00302584/step Wall: 9366.81, 0.00302584/step, 1.5884 hours remaining, 209.730469 MB of memory in use. ENERGY: 3110200 748.0530 2137.9631 1937.1528 118.7112 -205947.1552 17660.2445 0.0000 0.0000 34306.6708 -149038.3599 299.6087 -183345.0306 -148940.4216 299.6864 -45.1199 -16.6571 556532.3062 4.4722 4.5708 PRESSURE: 3110400 278.174 106.149 35.1184 106.148 -89.6332 -29.4136 35.1186 -29.4126 -248.582 GPRESSURE: 3110400 249.063 128.635 18.2092 130.141 -2.00594 -7.32935 62.5219 20.7147 -203.672 PRESSAVG: 3110400 26.9538 26.9776 15.5698 26.9776 12.4382 -2.31519 15.5698 -2.31516 -21.9591 GPRESSAVG: 3110400 27.9633 26.3629 16.0921 28.6662 12.7443 -0.34855 14.3252 -1.98907 -23.2107 TIMING: 3110400 CPU: 9367.41, 0.00301053/step Wall: 9367.41, 0.00301053/step, 1.5802 hours remaining, 209.730469 MB of memory in use. ENERGY: 3110400 751.3987 2085.8138 1952.7084 112.4592 -206050.2353 17835.9369 0.0000 0.0000 34182.4228 -149129.4956 298.5236 -183311.9183 -149038.1885 299.8988 -20.0137 14.4616 557168.7520 5.8110 5.8323 PRESSURE: 3110600 -146.703 127.238 34.5649 127.238 -124.111 2.96773 34.5643 2.96738 -40.2118 GPRESSURE: 3110600 -87.1086 172.35 5.26342 152.52 -110.319 24.2109 -53.8533 -77.2273 -14.0172 PRESSAVG: 3110600 33.8471 26.2785 19.602 26.2785 19.9594 -11.7954 19.602 -11.7955 -37.4716 GPRESSAVG: 3110600 33.468 26.1563 17.4841 25.2977 18.4199 -13.1383 21.5848 -12.8055 -35.2459 TIMING: 3110600 CPU: 9368.02, 0.00305162/step Wall: 9368.02, 0.00305162/step, 1.60159 hours remaining, 209.730469 MB of memory in use. ENERGY: 3110600 749.5244 2121.3741 1939.8663 112.3146 -206059.5348 17720.5814 0.0000 0.0000 34365.8589 -149050.0152 300.1256 -183415.8740 -148952.9249 299.8106 -103.6753 -70.4815 557710.8894 5.4450 5.5473 PRESSURE: 3110800 317.592 103.22 160.704 103.22 -35.8803 55.0086 160.705 55.0072 33.8161 GPRESSURE: 3110800 359.501 96.9033 164.403 80.1096 -47.4992 51.0687 167.028 97.1677 102.403 PRESSAVG: 3110800 38.874 29.7362 82.9753 29.7363 -42.8893 58.5094 82.9752 58.5093 -24.0199 GPRESSAVG: 3110800 39.3428 31.3005 83.8091 29.4149 -42.7965 59.2057 82.6862 58.9268 -24.6051 TIMING: 3110800 CPU: 9368.63, 0.00304452/step Wall: 9368.63, 0.00304452/step, 1.59769 hours remaining, 209.730469 MB of memory in use. ENERGY: 3110800 754.4576 2064.1800 1950.2095 105.9214 -206155.3902 18024.4336 0.0000 0.0000 34061.5979 -149194.5901 297.4684 -183256.1880 -149099.0307 299.2093 105.1761 138.1349 558730.6635 -9.3451 -9.3529 PRESSURE: 3111000 -10.8229 58.9601 79.0172 58.9605 420.972 -162.61 79.0161 -162.608 110.662 GPRESSURE: 3111000 54.6159 97.7143 32.1523 122.916 410.162 -125.604 63.9048 -173.728 150.913 PRESSAVG: 3111000 30.8957 22.8686 39.3781 22.8686 33.7892 11.8335 39.3781 11.8335 -5.16595 GPRESSAVG: 3111000 31.6449 21.23 39.5445 23.4537 33.7989 11.8044 39.9863 10.3762 -5.65056 TIMING: 3111000 CPU: 9369.23, 0.00302908/step Wall: 9369.23, 0.00302908/step, 1.58943 hours remaining, 209.730469 MB of memory in use. ENERGY: 3111000 761.2659 2089.0812 1943.9771 103.8677 -206517.9343 18213.1385 0.0000 0.0000 34207.0234 -149199.5804 298.7384 -183406.6038 -149103.0034 299.0399 173.6037 205.2302 558341.5139 19.8397 19.9311 PRESSURE: 3111200 334.94 -82.8318 101.795 -82.8307 95.6327 -53.9107 101.796 -53.9098 -3.27039 GPRESSURE: 3111200 376.788 -89.2742 89.8137 -56.9664 87.4146 -160.512 41.1798 -36.5249 45.4786 PRESSAVG: 3111200 -39.1665 30.9362 43.6689 30.9362 25.425 -2.70629 43.669 -2.70647 0.393214 GPRESSAVG: 3111200 -40.6419 30.8608 44.3863 31.4661 25.6868 -3.90115 44.5676 -1.57275 1.25661 TIMING: 3111200 CPU: 9369.84, 0.00302085/step Wall: 9369.84, 0.00302085/step, 1.58494 hours remaining, 209.730469 MB of memory in use. ENERGY: 3111200 709.7714 2111.7018 1964.0816 114.4400 -206362.8876 18039.4810 0.0000 0.0000 34326.0820 -149097.3298 299.7782 -183423.4118 -149005.0902 299.5574 142.4341 169.8936 557995.7576 -4.4494 -4.5661 PRESSURE: 3111400 10.5781 -45.2536 -184.615 -45.2548 29.9146 60.7184 -184.615 60.7208 226.998 GPRESSURE: 3111400 89.0667 -148.462 -211.334 11.5073 40.2428 27.1526 -163.047 79.1792 233.245 PRESSAVG: 3111400 67.6215 -68.7497 4.8859 -68.7498 -46.454 16.306 4.88593 16.306 -3.86636 GPRESSAVG: 3111400 67.3345 -68.7679 7.07478 -69.0562 -46.2867 15.7808 4.34461 19.3613 -3.65534 TIMING: 3111400 CPU: 9370.44, 0.00302014/step Wall: 9370.44, 0.00302014/step, 1.5844 hours remaining, 209.730469 MB of memory in use. ENERGY: 3111400 749.2940 2123.5874 1951.7743 109.4951 -206975.3698 18181.2329 0.0000 0.0000 34436.1032 -149423.8828 300.7391 -183859.9861 -149325.5566 299.0392 89.1637 120.8514 557877.0504 5.7671 5.7975 PRESSURE: 3111600 -160.754 -1.01276 -87.6459 -1.0132 -188.889 25.8589 -87.6474 25.8602 -340.392 GPRESSURE: 3111600 -97.2242 -8.11787 -100.892 10.497 -216.282 120.977 -16.7457 -16.5157 -284.747 PRESSAVG: 3111600 27.2173 55.6924 15.2135 55.6924 -10.8645 15.0688 15.2135 15.0688 -10.4367 GPRESSAVG: 3111600 26.8569 56.289 12.8189 52.8316 -10.5378 19.3203 13.5633 11.7044 -10.9982 TIMING: 3111600 CPU: 9371.05, 0.00302969/step Wall: 9371.05, 0.00302969/step, 1.58924 hours remaining, 209.730469 MB of memory in use. ENERGY: 3111600 770.4771 2165.0129 1949.8201 127.2685 -206544.2309 17748.7760 0.0000 0.0000 34324.4978 -149458.3786 299.7644 -183782.8764 -149353.5004 299.3322 -230.0121 -199.4177 557947.0756 1.9720 1.7736 PRESSURE: 3111800 -164.631 -36.2423 131.764 -36.2423 -147.006 19.2385 131.763 19.2385 -36.7434 GPRESSURE: 3111800 -105.472 -29.5895 149.825 -21.6794 -80.8526 21.3846 89.433 -18.0725 -52.8472 PRESSAVG: 3111800 34.6988 -8.06998 33.168 -8.07008 -35.8051 -9.75371 33.168 -9.75381 -20.9793 GPRESSAVG: 3111800 35.0088 -8.19087 32.1174 -4.02766 -36.2189 -10.1648 36.1093 -9.91499 -20.5442 TIMING: 3111800 CPU: 9371.66, 0.00303753/step Wall: 9371.66, 0.00303753/step, 1.59318 hours remaining, 209.730469 MB of memory in use. ENERGY: 3111800 748.9218 2195.8707 1955.4749 123.1858 -206406.8400 17653.0604 0.0000 0.0000 34121.7405 -149608.5859 297.9936 -183730.3263 -149517.1040 299.2497 -116.1267 -79.7239 556292.9320 -7.3618 -7.2514 PRESSURE: 3112000 -142.531 -117.133 8.89213 -117.134 44.2567 26.5097 8.89047 26.5118 472 GPRESSURE: 3112000 -113.784 -103.422 22.2979 -136.516 64.4034 -11.026 -17.3084 78.9241 511.971 PRESSAVG: 3112000 -104.605 -60.5888 37.2379 -60.5888 46.4768 -51.0482 37.2378 -51.0482 47.0208 GPRESSAVG: 3112000 -104.455 -58.9789 37.5729 -62.6948 47.6053 -52.8171 36.4332 -49.7162 45.9827 TIMING: 3112000 CPU: 9372.26, 0.00302411/step Wall: 9372.26, 0.00302411/step, 1.58598 hours remaining, 209.730469 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: 3112000 730.5436 2166.7907 1953.8798 116.7168 -206970.0490 18057.3813 0.0000 0.0000 34372.3421 -149572.3946 300.1822 -183944.7367 -149470.4723 297.9830 124.5753 154.1967 556874.7490 -3.7026 -3.6224 PRESSURE: 3112200 -66.5573 72.2593 -51.5127 72.258 84.0874 73.388 -51.513 73.3866 168.725 GPRESSURE: 3112200 -56.7295 81.9664 -105.292 96.6524 172.084 39.5217 -24.8958 14.6861 164.721 PRESSAVG: 3112200 -57.381 -3.87982 10.5664 -3.88001 43.0093 4.63707 10.5664 4.63712 55.5942 GPRESSAVG: 3112200 -56.6283 -5.32837 10.0715 -3.08976 42.0483 6.15695 10.0459 3.33438 55.644 TIMING: 3112200 CPU: 9372.86, 0.00302009/step Wall: 9372.86, 0.00302009/step, 1.5837 hours remaining, 209.730469 MB of memory in use. ENERGY: 3112200 748.8577 2114.8116 1944.7037 101.0275 -206650.9374 18032.9210 0.0000 0.0000 34152.6008 -149556.0151 298.2632 -183708.6159 -149457.8946 298.6023 62.0851 93.3584 556872.9462 13.7408 13.6880 LDB: ============= START OF LOAD BALANCING ============== 9376.38 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9376.38 LDB: =============== DONE WITH MIGRATION ================ 9376.38 LDB: ============= START OF LOAD BALANCING ============== 9376.69 LDB: Largest compute 4774 load 0.031746 is 26.9% of average load 0.118127 LDB: Average compute 0.001740 is 1.5% of average load 0.118127 LDB: TIME 9376.69 LOAD: AVG 0.118127 MAX 0.212504 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.098 MB LDB: TIME 9376.69 LOAD: AVG 0.118127 MAX 0.212504 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.098 MB LDB: TIME 9376.69 LOAD: AVG 0.118127 MAX 0.212504 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.098 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9376.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9376.7 PRESSURE: 3112400 -71.6768 -118.373 -181.059 -118.374 149.729 -96.5365 -181.059 -96.5361 67.902 GPRESSURE: 3112400 -46.7659 -103.357 -107.417 -124.474 164.458 -24.6822 -213.404 -106.479 115.871 PRESSAVG: 3112400 -20.8439 -37.649 -10.774 -37.649 37.3697 -71.7761 -10.774 -71.776 34.8099 GPRESSAVG: 3112400 -22.307 -37.5673 -10.2528 -39.294 38.1269 -72.8998 -11.9138 -70.9394 35.3236 TIMING: 3112400 CPU: 9373.48, 0.00308218/step Wall: 9373.48, 0.00308218/step, 1.61609 hours remaining, 210.246094 MB of memory in use. ENERGY: 3112400 724.5055 2129.2832 1948.6047 103.9230 -206635.6738 17992.6419 0.0000 0.0000 34123.3486 -149613.3670 298.0077 -183736.7156 -149518.1521 297.8289 48.6515 77.8545 556623.8324 17.1119 17.0478 PRESSURE: 3112600 164.702 93.9547 -136.943 93.9542 -159.84 -81.3541 -136.944 -81.353 -70.5352 GPRESSURE: 3112600 174.137 171.663 -198.89 46.6288 -65.0579 -111.33 -129.669 -172.793 -79.8638 PRESSAVG: 3112600 7.44972 38.0443 -44.0881 38.0442 21.2942 -50.2072 -44.0881 -50.2073 22.1236 GPRESSAVG: 3112600 7.9163 39.8319 -42.2883 37.5407 21.2408 -49.0976 -43.3818 -50.3314 22.1223 TIMING: 3112600 CPU: 9374.09, 0.00304308/step Wall: 9374.09, 0.00304308/step, 1.59542 hours remaining, 210.445312 MB of memory in use. ENERGY: 3112600 755.4692 2131.0301 1945.1383 97.2984 -206648.6253 17906.1460 0.0000 0.0000 34207.0703 -149606.4731 298.7389 -183813.5434 -149507.1905 297.7374 -21.8912 9.7386 558034.7028 16.9559 17.0931 PRESSURE: 3112800 -21.2728 54.5337 55.9782 54.5349 -30.1894 0.787134 55.9782 0.786541 41.9671 GPRESSURE: 3112800 37.0858 -6.32406 69.9946 58.7767 -39.6583 10.951 -47.6769 9.43127 79.1544 PRESSAVG: 3112800 34.4065 46.4517 25.2672 46.4517 -14.5598 1.66544 25.2673 1.66535 -23.1146 GPRESSAVG: 3112800 34.9685 44.2389 25.1882 47.699 -14.3334 1.8911 25.1718 0.5358 -23.9643 TIMING: 3112800 CPU: 9374.69, 0.00300834/step Wall: 9374.69, 0.00300834/step, 1.57704 hours remaining, 210.445312 MB of memory in use. ENERGY: 3112800 766.1580 2091.9803 1966.1142 106.0622 -206179.3887 17715.4978 0.0000 0.0000 34021.9429 -149511.6334 297.1221 -183533.5763 -149418.3631 298.2635 -3.1650 25.5273 555767.5124 -1.0893 -1.1097 PRESSURE: 3113000 -23.5019 -160.78 -85.4669 -160.78 14.002 185.953 -85.4668 185.954 -280.14 GPRESSURE: 3113000 39.728 -138.501 -33.0536 -150.162 39.6511 170.103 -143.728 141.33 -271.778 PRESSAVG: 3113000 -11.989 -42.6046 51.189 -42.6046 22.8542 19.348 51.1889 19.3481 -21.2211 GPRESSAVG: 3113000 -10.9446 -41.3345 47.7808 -43.6447 22.1456 17.4373 52.783 18.8633 -20.7654 TIMING: 3113000 CPU: 9375.3, 0.00303941/step Wall: 9375.3, 0.00303941/step, 1.59316 hours remaining, 210.445312 MB of memory in use. ENERGY: 3113000 746.8109 2017.2160 1983.4603 109.1143 -206291.7420 17817.3570 0.0000 0.0000 34123.9044 -149493.8793 298.0125 -183617.7836 -149400.7441 298.1997 -96.5468 -64.1329 558096.3678 -3.4520 -3.1881 PRESSURE: 3113200 50.8911 -29.3031 217.076 -29.3032 269.464 34.8346 217.076 34.8352 52.9396 GPRESSURE: 3113200 36.4644 21.2804 171.574 -20.3659 290.418 13.1825 253.094 28.1976 148.965 PRESSAVG: 3113200 -20.3445 -0.623778 23.2172 -0.623723 80.0146 10.2503 23.2172 10.2504 -41.9636 GPRESSAVG: 3113200 -21.8785 -0.29537 26.0721 -0.622595 80.9855 9.30409 20.5303 12.8508 -41.1703 TIMING: 3113200 CPU: 9375.91, 0.00304421/step Wall: 9375.91, 0.00304421/step, 1.59551 hours remaining, 210.445312 MB of memory in use. ENERGY: 3113200 689.0302 2065.6953 1922.6460 122.2721 -206815.1585 17998.4072 0.0000 0.0000 34368.5490 -149648.5587 300.1491 -184017.1077 -149554.7943 298.1249 124.4314 158.6156 557816.2939 5.9022 5.9789 PRESSURE: 3113400 -71.7957 -112.849 159.683 -112.849 261.021 50.2076 159.684 50.2088 287.502 GPRESSURE: 3113400 -32.7196 -79.3077 207.461 -105.791 311.78 -22.228 139.771 83.8708 298.565 PRESSAVG: 3113400 27.6144 -49.0958 33.2493 -49.0957 57.1974 -43.3187 33.2493 -43.3186 -62.0036 GPRESSAVG: 3113400 28.4532 -50.8245 32.9528 -48.4984 56.4457 -43.4304 33.536 -43.4146 -62.3189 TIMING: 3113400 CPU: 9376.52, 0.0030542/step Wall: 9376.52, 0.0030542/step, 1.60057 hours remaining, 210.445312 MB of memory in use. ENERGY: 3113400 725.9356 2069.4678 1930.1987 118.2752 -206568.6298 18071.7113 0.0000 0.0000 33983.7170 -149669.3243 296.7883 -183653.0413 -149579.5928 297.8635 158.9091 192.5418 556547.6126 7.6027 7.5267 PRESSURE: 3113600 -136.126 149.171 -42.7313 149.171 105.224 -125.455 -42.7312 -125.455 12.1451 GPRESSURE: 3113600 -117.617 163.801 -72.9252 59.0274 140.197 -91.6206 -7.08751 -121.696 47.3946 PRESSAVG: 3113600 38.9362 48.5513 46.1714 48.5513 6.96288 -18.9948 46.1714 -18.9948 -15.0019 GPRESSAVG: 3113600 38.6924 50.1963 45.4411 47.9383 7.64488 -17.6667 45.6737 -19.7643 -15.78 TIMING: 3113600 CPU: 9377.13, 0.00303467/step Wall: 9377.13, 0.00303467/step, 1.59017 hours remaining, 210.445312 MB of memory in use. ENERGY: 3113600 694.9831 2086.3487 1944.7173 114.7862 -206272.8164 17716.4368 0.0000 0.0000 34239.5326 -149476.0118 299.0224 -183715.5444 -149390.0729 298.0620 -6.2521 23.3249 557833.8958 10.2990 10.1858 PRESSURE: 3113800 -171.54 85.1342 3.70625 85.1352 -203.567 -39.2678 3.70652 -39.267 34.8413 GPRESSURE: 3113800 -125.759 88.5163 -76.6703 54.8762 -171.592 -31.3957 24.6032 -2.6187 71.5462 PRESSAVG: 3113800 10.4409 55.2813 -20.5576 55.2813 7.88923 0.564949 -20.5576 0.564875 -27.5612 GPRESSAVG: 3113800 11.764 57.0579 -21.2709 52.7722 6.46162 0.804785 -19.4107 -0.823075 -27.5948 TIMING: 3113800 CPU: 9377.73, 0.00300172/step Wall: 9377.73, 0.00300172/step, 1.57273 hours remaining, 210.445312 MB of memory in use. ENERGY: 3113800 756.5583 2023.1227 1951.7386 111.1951 -206405.8741 17698.8041 0.0000 0.0000 34407.1733 -149457.2820 300.4864 -183864.4554 -149358.0161 298.3816 -113.4218 -75.2684 555975.5180 -3.0770 -3.1230 PRESSURE: 3114000 196.739 -181.887 -38.463 -181.888 -62.3564 -45.9519 -38.4626 -45.9494 259.347 GPRESSURE: 3114000 200.678 -180.745 -12.4902 -100.297 4.46073 -126.905 -79.535 -14.4196 298.225 PRESSAVG: 3114000 -7.17287 -1.23826 -36.318 -1.23827 1.32038 -69.9185 -36.3179 -69.9185 0.525374 GPRESSAVG: 3114000 -8.69266 -2.4547 -34.9377 0.444221 1.94232 -69.7877 -36.4816 -70.717 1.09505 TIMING: 3114000 CPU: 9378.33, 0.00303999/step Wall: 9378.33, 0.00303999/step, 1.59262 hours remaining, 210.445312 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: 3114000 766.4615 2041.6210 1956.1417 123.0682 -206825.2060 17965.2806 0.0000 0.0000 34450.5177 -149522.1154 300.8649 -183972.6331 -149423.1305 298.5292 131.2430 167.7878 554431.7027 -1.7757 -1.8851 PRESSURE: 3114200 -150.336 47.3018 105.109 47.3015 -18.37 -149.385 105.109 -149.384 -178.146 GPRESSURE: 3114200 -131.169 -3.24583 68.1943 10.3143 30.9924 -162.333 145.589 -96.5618 -138.985 PRESSAVG: 3114200 -7.07332 -9.78081 7.42535 -9.78089 49.5108 35.8571 7.42545 35.8571 -60.8672 GPRESSAVG: 3114200 -6.81853 -11.1465 8.54691 -10.2735 49.5586 35.117 6.48812 38.6948 -60.6712 TIMING: 3114200 CPU: 9378.94, 0.00303629/step Wall: 9378.94, 0.00303629/step, 1.59051 hours remaining, 210.445312 MB of memory in use. ENERGY: 3114200 787.0512 2073.2258 1980.8696 115.9202 -206410.2404 17653.9254 0.0000 0.0000 34119.8459 -149679.4022 297.9771 -183799.2482 -149585.7590 298.6144 -115.6172 -79.7203 553780.7349 -6.1433 -5.9770 PRESSURE: 3114400 -103.313 50.9892 -47.8592 50.9913 -57.3332 221.89 -47.8586 221.89 -124.409 GPRESSURE: 3114400 -139.775 -2.1111 -70.0579 61.5094 23.907 265.105 -86.0529 160.727 -71.2721 PRESSAVG: 3114400 37.7546 -30.4646 -1.10402 -30.4645 5.5636 82.0219 -1.10395 82.022 -64.6762 GPRESSAVG: 3114400 37.6833 -31.3473 -2.35616 -30.5373 5.11754 83.0431 -0.725353 80.1002 -64.8407 TIMING: 3114400 CPU: 9379.55, 0.00304038/step Wall: 9379.55, 0.00304038/step, 1.59248 hours remaining, 210.445312 MB of memory in use. ENERGY: 3114400 774.6137 2080.6065 1935.1265 127.0334 -206399.3216 17804.2006 0.0000 0.0000 34228.3439 -149449.3970 298.9246 -183677.7410 -149351.1181 298.5920 -95.0184 -62.3800 556493.5363 -7.1193 -7.3466 PRESSURE: 3114600 87.784 121.565 -75.7673 121.565 -91.4179 -52.9481 -75.7691 -52.9486 -49.1322 GPRESSURE: 3114600 94.3817 104.672 -23.3369 92.5954 -35.7028 52.1698 -138.709 -88.7733 -0.129787 PRESSAVG: 3114600 -20.5788 -7.31324 -16.3647 -7.31326 -7.51682 49.4508 -16.3648 49.4509 -15.4058 GPRESSAVG: 3114600 -19.5971 -7.30621 -16.2026 -4.74479 -7.33888 49.1583 -15.7021 48.4304 -16.3347 TIMING: 3114600 CPU: 9380.15, 0.00299191/step Wall: 9380.15, 0.00299191/step, 1.56693 hours remaining, 210.445312 MB of memory in use. ENERGY: 3114600 753.1468 2051.4628 1972.2631 107.2998 -206447.9633 17800.1471 0.0000 0.0000 34363.4362 -149400.2075 300.1044 -183763.6437 -149299.2465 299.6147 -17.5887 19.5164 557574.3300 -14.5005 -14.4236 PRESSURE: 3114800 107.85 100.674 7.46799 100.674 -40.363 111.343 7.46758 111.342 -168.932 GPRESSURE: 3114800 165.582 76.6882 -14.5032 101.168 -14.1529 168.413 31.6385 39.4493 -141.896 PRESSAVG: 3114800 -49.745 53.4504 -10.7325 53.4503 52.3784 -18.2401 -10.7325 -18.2403 -2.06417 GPRESSAVG: 3114800 -50.2478 53.7937 -9.15612 50.4559 51.2455 -16.0509 -11.034 -19.2162 -0.658995 TIMING: 3114800 CPU: 9380.75, 0.0030075/step Wall: 9380.75, 0.0030075/step, 1.57493 hours remaining, 210.445312 MB of memory in use. ENERGY: 3114800 736.0336 2092.2909 1943.1151 107.1212 -206228.9017 17791.7841 0.0000 0.0000 34213.3697 -149345.1871 298.7939 -183558.5568 -149253.1372 298.7321 -33.8151 3.1776 557404.6519 0.1898 0.1129 PRESSURE: 3115000 7.46806 -31.0953 -153.515 -31.0954 -196.076 -92.2726 -153.516 -92.2725 41.1292 GPRESSURE: 3115000 -11.0051 -75.2453 -123.636 -60.0756 -125.409 -87.3208 -150.01 -19.4914 88.7768 PRESSAVG: 3115000 -15.9477 16.4655 -3.60875 16.4656 21.961 -26.2949 -3.60874 -26.2949 -15.8986 GPRESSAVG: 3115000 -16.1304 16.7231 -4.39167 15.7803 23.4649 -28.5201 -3.22154 -23.5134 -17.4606 TIMING: 3115000 CPU: 9381.35, 0.00298893/step Wall: 9381.35, 0.00298893/step, 1.56504 hours remaining, 210.445312 MB of memory in use. ENERGY: 3115000 734.6772 2071.6536 1937.2340 119.8117 -206544.1438 17853.0398 0.0000 0.0000 34483.1691 -149344.5584 301.1501 -183827.7275 -149243.5719 299.6255 -49.1597 -15.8791 557985.0458 -3.2951 -3.3754 PRESSURE: 3115200 161.223 -44.8599 -7.60781 -44.8593 342.73 -69.9634 -7.60793 -69.9641 93.4242 GPRESSURE: 3115200 206.472 60.0753 -116.809 -41.4399 340.119 -184.214 121.361 -93.1937 153.765 PRESSAVG: 3115200 -3.39406 -24.4136 -27.1396 -24.4135 8.04801 4.34269 -27.1397 4.34265 13.8683 GPRESSAVG: 3115200 -3.04604 -23.4819 -27.4505 -23.3355 7.76523 6.27119 -26.4208 3.46927 14.0108 TIMING: 3115200 CPU: 9381.96, 0.00304486/step Wall: 9381.96, 0.00304486/step, 1.59416 hours remaining, 210.445312 MB of memory in use. ENERGY: 3115200 737.0379 2122.0942 1969.8611 116.8463 -206417.6529 17859.3384 0.0000 0.0000 34248.6715 -149363.8035 299.1022 -183612.4750 -149274.4751 299.1802 199.1259 233.4521 556536.7701 6.1741 6.2433 PRESSURE: 3115400 -229.041 -21.281 19.0851 -21.281 -163.232 30.0393 19.0843 30.0392 -219.634 GPRESSURE: 3115400 -238.422 29.0332 23.0508 -90.5242 -122.478 -34.5674 -4.54581 18.3795 -144.09 PRESSAVG: 3115400 -29.8562 -36.0845 10.339 -36.0845 7.28218 -69.9738 10.339 -69.9738 35.9671 GPRESSAVG: 3115400 -30.3353 -37.8209 9.69976 -35.8888 6.78694 -71.5379 8.98067 -71.5158 36.7481 TIMING: 3115400 CPU: 9382.56, 0.00302931/step Wall: 9382.56, 0.00302931/step, 1.58585 hours remaining, 210.445312 MB of memory in use. ENERGY: 3115400 747.6694 2105.9182 1921.0331 112.7733 -205744.2040 17494.6271 0.0000 0.0000 34180.6078 -149181.5750 298.5077 -183362.1828 -149085.4889 298.7347 -203.9691 -168.3297 558856.9576 4.4643 4.3999 PRESSURE: 3115600 -62.3287 -8.91672 -10.9189 -8.91764 -312.898 19.9199 -10.9195 19.9205 -280.658 GPRESSURE: 3115600 -8.84428 -8.921 62.2883 14.6455 -310.711 22.6774 -87.7669 67.8621 -240.167 PRESSAVG: 3115600 -68.1425 -13.9591 -2.83137 -13.9591 60.7597 20.3913 -2.83135 20.3913 -15.3544 GPRESSAVG: 3115600 -67.7803 -12.619 -2.55118 -15.3572 60.775 21.2152 -1.92589 22.8202 -15.6601 TIMING: 3115600 CPU: 9383.16, 0.00297778/step Wall: 9383.16, 0.00297778/step, 1.5587 hours remaining, 210.445312 MB of memory in use. ENERGY: 3115600 775.1175 2085.3135 1935.7277 114.4703 -205802.8234 17485.9070 0.0000 0.0000 34097.7145 -149308.5731 297.7838 -183406.2876 -149206.2898 298.9187 -218.6283 -186.5740 558533.4085 -7.5791 -7.5551 PRESSURE: 3115800 14.2141 -62.0633 9.54725 -62.0638 -261.018 70.7776 9.54643 70.7766 67.6828 GPRESSURE: 3115800 -15.8958 -2.651 -7.73513 -41.0396 -180.452 79.7789 -1.28233 63.413 106.096 PRESSAVG: 3115800 -20.98 -18.8699 6.18428 -18.8699 21.4179 16.7116 6.18426 16.7116 20.5553 GPRESSAVG: 3115800 -22.4498 -19.6982 5.91115 -18.8853 22.1367 16.3202 7.14255 15.0559 21.6143 TIMING: 3115800 CPU: 9383.75, 0.00298441/step Wall: 9383.75, 0.00298441/step, 1.56201 hours remaining, 210.445312 MB of memory in use. ENERGY: 3115800 736.3949 2070.4424 1924.8470 120.1015 -206150.6814 17662.3194 0.0000 0.0000 34317.0988 -149319.4774 299.6998 -183636.5762 -149223.0252 299.5242 -59.7071 -30.0842 558664.9484 6.9978 7.1004 PRESSURE: 3116000 7.54214 -10.3501 -33.942 -10.3516 -38.854 2.88064 -33.9404 2.88029 326.198 GPRESSURE: 3116000 97.6823 -30.917 -34.5999 8.92129 -27.1802 19.3172 -33.6561 -1.78812 320.962 PRESSAVG: 3116000 1.88121 4.43901 -8.93767 4.4389 -69.6817 9.96787 -8.93766 9.96781 65.6188 GPRESSAVG: 3116000 2.70274 2.68612 -7.99057 5.05817 -70.1095 8.34373 -11.4063 11.5843 65.1614 TIMING: 3116000 CPU: 9384.35, 0.00298332/step Wall: 9384.35, 0.00298332/step, 1.56127 hours remaining, 210.445312 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: 3116000 766.3342 2074.1820 1923.3294 119.3950 -206333.1982 17899.1460 0.0000 0.0000 34210.6622 -149340.1494 298.7702 -183550.8116 -149243.4755 299.1433 98.2953 130.4879 557293.3710 -0.7272 -0.7485 PRESSURE: 3116200 -171.536 43.4971 -13.5375 43.4984 -192.245 113.141 -13.5377 113.143 -202.446 GPRESSURE: 3116200 -124.56 97.4635 -41.3792 1.05793 -166.132 89.4002 -1.5846 84.7211 -179.506 PRESSAVG: 3116200 -58.0401 -0.207144 -34.3848 -0.207127 30.7118 4.67356 -34.3848 4.6737 -10.6903 GPRESSAVG: 3116200 -57.6422 0.135264 -35.3979 0.668441 30.6336 4.46853 -34.2726 2.92324 -11.0203 TIMING: 3116200 CPU: 9384.95, 0.00297596/step Wall: 9384.95, 0.00297596/step, 1.55725 hours remaining, 210.445312 MB of memory in use. ENERGY: 3116200 733.4727 2024.8907 1927.6981 101.1752 -206234.9924 17716.9884 0.0000 0.0000 34308.3441 -149422.4231 299.6233 -183730.7673 -149320.1522 299.1369 -188.7421 -156.7330 556519.8255 -12.6729 -12.6763 LDB: ============= START OF LOAD BALANCING ============== 9388.46 LDB: ============== END OF LOAD BALANCING =============== 9388.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9388.47 LDB: ============= START OF LOAD BALANCING ============== 9388.76 LDB: Largest compute 4802 load 0.029803 is 25.2% of average load 0.118155 LDB: Average compute 0.001739 is 1.5% of average load 0.118155 LDB: TIME 9388.77 LOAD: AVG 0.118155 MAX 0.209048 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.84 MB LDB: TIME 9388.77 LOAD: AVG 0.118155 MAX 0.209048 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.84 MB LDB: TIME 9388.77 LOAD: AVG 0.118155 MAX 0.209048 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.84 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9388.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9388.77 PRESSURE: 3116400 -162.005 -6.22752 110.59 -6.22722 -8.46784 -54.2388 110.59 -54.2391 -26.3149 GPRESSURE: 3116400 -162.702 36.0608 150.235 -44.9489 90.9955 -79.2906 137.708 28.2421 -30.7891 PRESSAVG: 3116400 -40.3441 28.0186 35.5403 28.0187 89.2775 55.7714 35.5403 55.7714 -75.9855 GPRESSAVG: 3116400 -40.0084 30.3125 37.7203 26.1314 89.1292 55.8272 35.3859 55.5734 -76.3747 TIMING: 3116400 CPU: 9385.56, 0.00305558/step Wall: 9385.56, 0.00305558/step, 1.59875 hours remaining, 209.464844 MB of memory in use. ENERGY: 3116400 743.0180 2054.9263 1945.0074 109.3726 -206105.3857 17569.7236 0.0000 0.0000 34228.9516 -149454.3863 298.9299 -183683.3378 -149352.2934 299.4612 -65.5960 -34.1654 557764.1008 -9.0174 -9.0847 PRESSURE: 3116600 -122.812 47.2724 100.899 47.2733 -30.9364 16.0893 100.899 16.0907 -133.842 GPRESSURE: 3116600 -104.855 1.98731 118.298 116.527 1.37411 60.222 115.028 27.429 -86.3369 PRESSAVG: 3116600 8.66604 -31.16 -13.5188 -31.16 -10.571 18.0221 -13.5188 18.022 -11.7453 GPRESSAVG: 3116600 8.04998 -31.3247 -14.5976 -28.4204 -10.7039 18.5476 -12.3088 17.5222 -11.1969 TIMING: 3116600 CPU: 9386.16, 0.00300132/step Wall: 9386.16, 0.00300132/step, 1.57019 hours remaining, 209.464844 MB of memory in use. ENERGY: 3116600 761.2975 2050.7795 1928.9987 110.3227 -205951.2168 17715.9869 0.0000 0.0000 34222.8926 -149160.9389 298.8770 -183383.8315 -149061.8674 298.5668 -95.8635 -63.2726 557132.1785 -4.5501 -4.6169 PRESSURE: 3116800 134.2 -11.3931 -41.1755 -11.3918 -68.5859 129.647 -41.1756 129.645 -97.1692 GPRESSURE: 3116800 112.698 17.7732 -23.1679 -41.234 -16.7008 82.7489 -13.138 145.49 -41.4072 PRESSAVG: 3116800 45.5471 10.2992 -35.1191 10.2992 75.177 57.1565 -35.1191 57.1565 -90.7999 GPRESSAVG: 3116800 46.3994 10.4465 -34.5075 8.91953 73.7925 56.778 -35.9351 56.8404 -90.9361 TIMING: 3116800 CPU: 9386.76, 0.00298853/step Wall: 9386.76, 0.00298853/step, 1.56333 hours remaining, 209.464844 MB of memory in use. ENERGY: 3116800 729.9822 2073.7357 1912.8209 123.7020 -205994.8265 17618.0886 0.0000 0.0000 34557.8740 -148978.6232 301.8025 -183536.4972 -148885.7767 300.1402 -10.5182 18.1966 557349.7147 9.9747 9.7520 PRESSURE: 3117000 -20.9846 64.4627 74.6477 64.4627 -144.223 -107.383 74.6481 -107.383 52.3527 GPRESSURE: 3117000 24.8718 196.636 96.9149 -27.1835 -94.5856 -57.1561 -34.599 -135.519 51.778 PRESSAVG: 3117000 62.5949 -7.66766 68.8607 -7.66773 -2.3071 21.0784 68.8607 21.0784 -76.1794 GPRESSAVG: 3117000 61.5016 -10.9396 67.6364 -5.24291 -1.20841 18.0766 69.7332 23.8442 -76.4002 TIMING: 3117000 CPU: 9387.36, 0.00301019/step Wall: 9387.36, 0.00301019/step, 1.5745 hours remaining, 209.464844 MB of memory in use. ENERGY: 3117000 780.8805 2109.6273 1921.4513 105.4169 -205941.6547 17762.4852 0.0000 0.0000 34276.8647 -148984.9289 299.3484 -183261.7935 -148881.6791 300.3357 -37.6184 -5.9786 557177.3109 -5.2972 -5.3690 PRESSURE: 3117200 -114.034 -24.9455 105.199 -24.945 -114.666 20.7044 105.199 20.7044 11.3062 GPRESSURE: 3117200 -68.7169 -90.0656 187.02 -101.067 -90.6847 5.13923 44.5238 6.27958 29.9249 PRESSAVG: 3117200 -51.4613 -19.6368 80.1218 -19.6368 10.6088 -28.3296 80.1218 -28.3297 17.2534 GPRESSAVG: 3117200 -51.7052 -16.4138 79.3931 -20.9498 10.9876 -24.8381 80.3176 -29.2546 17.2308 TIMING: 3117200 CPU: 9387.95, 0.00298373/step Wall: 9387.95, 0.00298373/step, 1.56049 hours remaining, 209.464844 MB of memory in use. ENERGY: 3117200 757.6640 2059.9695 1951.2319 127.5760 -206090.3285 17812.7307 0.0000 0.0000 34414.6887 -148966.4676 300.5520 -183381.1563 -148865.3982 300.0134 -72.4646 -43.1589 557931.2585 -7.8664 -7.8290 PRESSURE: 3117400 25.6858 74.913 -156.008 74.9139 33.0908 -64.1724 -156.008 -64.173 41.3505 GPRESSURE: 3117400 71.6198 34.2076 -126.551 33.6033 97.5163 -63.7356 -257.467 -23.8514 34.8775 PRESSAVG: 3117400 30.6242 3.33779 -38.3158 3.33782 7.73523 35.862 -38.3158 35.8621 -15.1088 GPRESSAVG: 3117400 31.5927 2.50976 -38.1218 0.816435 7.73963 34.6277 -38.5222 34.4498 -15.7989 TIMING: 3117400 CPU: 9388.55, 0.00299609/step Wall: 9388.55, 0.00299609/step, 1.56679 hours remaining, 209.464844 MB of memory in use. ENERGY: 3117400 728.1456 2079.5510 1916.6362 111.7158 -205950.8873 17736.0187 0.0000 0.0000 34461.5567 -148917.2633 300.9613 -183378.8199 -148822.6283 300.1025 33.3757 68.0045 557564.4531 7.7502 7.8445 PRESSURE: 3117600 104.263 -141.816 -79.4213 -141.816 -349.503 81.012 -79.4201 81.0122 -144.195 GPRESSURE: 3117600 161.754 -176.834 -6.23176 -68.1909 -299.91 121.586 -188.145 38.9007 -147.64 PRESSAVG: 3117600 46.2912 -52.6629 -38.9479 -52.6629 -46.6163 17.8413 -38.9479 17.8413 -16.5329 GPRESSAVG: 3117600 45.0166 -53.772 -38.1056 -49.7055 -46.1959 18.1144 -41.6 16.7756 -16.5849 TIMING: 3117600 CPU: 9389.15, 0.00299518/step Wall: 9389.15, 0.00299518/step, 1.56614 hours remaining, 209.464844 MB of memory in use. ENERGY: 3117600 744.7384 2056.9412 1938.8674 108.8488 -205385.1249 17580.2373 0.0000 0.0000 34099.6693 -148855.8225 297.8009 -182955.4918 -148763.5700 299.8780 -129.8114 -95.2653 558981.7560 -5.6193 -5.9214 PRESSURE: 3117800 -33.8085 48.7901 -10.1685 48.79 75.3581 29.4461 -10.1688 29.4483 219.664 GPRESSURE: 3117800 55.3752 -52.5591 -51.6054 59.0025 65.8885 15.3296 10.6927 24.4435 237.884 PRESSAVG: 3117800 24.6015 -10.719 -35.366 -10.7189 -64.7452 7.67277 -35.366 7.67274 -5.21282 GPRESSAVG: 3117800 24.7875 -9.39869 -35.3814 -11.0652 -65.7969 8.47504 -33.1269 6.40883 -4.20225 TIMING: 3117800 CPU: 9389.75, 0.00300003/step Wall: 9389.75, 0.00300003/step, 1.56852 hours remaining, 209.464844 MB of memory in use. ENERGY: 3117800 731.3449 1976.6538 1932.1971 105.3888 -205714.6369 17671.7510 0.0000 0.0000 34488.8824 -148808.4189 301.2000 -183297.3013 -148709.3862 299.6485 87.0712 119.7158 558124.1685 -15.1188 -15.0706 PRESSURE: 3118000 90.3185 79.5338 -167.714 79.5347 -164.731 -106.108 -167.713 -106.108 -70.6005 GPRESSURE: 3118000 92.6009 85.6908 -140.526 121.341 -87.8839 -106.634 -94.5778 5.20377 -42.7513 PRESSAVG: 3118000 -40.946 -17.5728 -69.293 -17.5728 22.1313 -23.5247 -69.293 -23.5247 28.1107 GPRESSAVG: 3118000 -41.2782 -17.2355 -68.583 -18.2925 22.8062 -22.7328 -69.2632 -20.618 26.7947 TIMING: 3118000 CPU: 9390.36, 0.00302176/step Wall: 9390.36, 0.00302176/step, 1.57971 hours remaining, 209.464844 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: 3118000 743.0537 2015.3910 1965.0171 114.5495 -205684.4315 17594.2169 0.0000 0.0000 34315.9015 -148936.3017 299.6893 -183252.2032 -148841.1605 299.9598 -48.3376 -12.6781 559176.7474 3.0987 2.7742 PRESSURE: 3118200 -100.171 19.5376 -144.413 19.5367 -200.771 34.5186 -144.413 34.5171 -75.6766 GPRESSURE: 3118200 -64.5918 31.9536 -131.855 36.6614 -180.222 85.0174 -67.8399 -21.5871 -29.9337 PRESSAVG: 3118200 0.866937 -36.1788 -23.0783 -36.179 23.0571 -21.7427 -23.0783 -21.7428 -44.6268 GPRESSAVG: 3118200 1.56741 -37.2225 -22.8349 -35.7224 21.6704 -21.4141 -22.6364 -23.6829 -44.1869 TIMING: 3118200 CPU: 9390.96, 0.00303348/step Wall: 9390.96, 0.00303348/step, 1.58567 hours remaining, 209.464844 MB of memory in use. ENERGY: 3118200 755.9691 2034.3238 1951.0783 111.5211 -205831.5539 17582.4768 0.0000 0.0000 34295.0066 -149101.1781 299.5068 -183396.1847 -148998.6867 300.1105 -125.5396 -91.5825 558470.8298 -6.9009 -6.9830 PRESSURE: 3118400 16.9038 137.867 -60.339 137.866 19.9869 1.40003 -60.339 1.40096 -45.2216 GPRESSURE: 3118400 51.777 112.574 -93.6285 280.752 78.419 -34.9954 -60.1907 27.0732 -42.1114 PRESSAVG: 3118400 -39.6277 -4.27852 -57.3578 -4.27852 56.0869 -25.5513 -57.3578 -25.5513 -29.3325 GPRESSAVG: 3118400 -39.1469 -4.03943 -57.2059 -4.04737 56.5054 -27.3653 -60.823 -24.7954 -30.0654 TIMING: 3118400 CPU: 9391.57, 0.00301096/step Wall: 9391.57, 0.00301096/step, 1.57373 hours remaining, 209.464844 MB of memory in use. ENERGY: 3118400 751.1541 2004.3407 1936.8900 115.4748 -206349.5976 17933.9266 0.0000 0.0000 34346.1671 -149261.6445 299.9536 -183607.8115 -149171.0659 299.2053 -2.7769 29.3615 557659.1944 -4.2911 -4.2356 PRESSURE: 3118600 -178.972 222.403 -205.324 222.403 -349.447 -5.66831 -205.323 -5.66812 -256.072 GPRESSURE: 3118600 -200.945 129.502 -133.031 198.285 -289.933 14.369 -190.437 58.4617 -190.309 PRESSAVG: 3118600 -56.2918 37.5963 1.49513 37.5962 27.7038 5.14308 1.49517 5.14301 35.9904 GPRESSAVG: 3118600 -56.9531 35.4657 -0.612128 37.6443 28.6001 6.04756 5.14507 4.55108 35.9831 TIMING: 3118600 CPU: 9392.16, 0.00298517/step Wall: 9392.16, 0.00298517/step, 1.56008 hours remaining, 209.464844 MB of memory in use. ENERGY: 3118600 731.8811 2077.3277 1969.5793 114.3088 -205624.3889 17324.1897 0.0000 0.0000 34157.2936 -149249.8087 298.3041 -183407.1024 -149145.3366 299.2381 -261.4973 -227.0626 557746.4687 2.4675 2.5434 PRESSURE: 3118800 97.4452 -203.596 -15.0163 -203.596 -280.707 46.5945 -15.0174 46.5948 -141.886 GPRESSURE: 3118800 102.753 -142.778 -100.329 -272.056 -241.794 22.2449 -12.0497 105.144 -104.43 PRESSAVG: 3118800 -57.8531 10.5745 -25.9862 10.5745 12.9189 -43.6351 -25.9862 -43.6352 55.2707 GPRESSAVG: 3118800 -59.0507 12.7615 -24.7438 10.9672 12.764 -46.2469 -28.3794 -40.6493 55.7973 TIMING: 3118800 CPU: 9392.76, 0.00300035/step Wall: 9392.76, 0.00300035/step, 1.56785 hours remaining, 209.464844 MB of memory in use. ENERGY: 3118800 741.9965 2072.5947 1896.1974 120.2756 -206267.5486 17827.1527 0.0000 0.0000 34324.9939 -149284.3377 299.7687 -183609.3316 -149191.0052 299.3907 -108.3827 -81.1570 559091.2343 3.4455 3.1702 PRESSURE: 3119000 -45.2661 -153.112 96.1752 -153.111 -59.6754 -32.5059 96.1755 -32.5064 -254.274 GPRESSURE: 3119000 -23.3434 -121.047 98.9394 -98.3133 -51.6375 8.31722 105.24 -44.8795 -195.844 PRESSAVG: 3119000 59.189 -24.4495 12.8256 -24.4495 -33.5257 -11.9169 12.8255 -11.9169 -7.42364 GPRESSAVG: 3119000 60.2005 -25.5164 11.8636 -23.4061 -33.9067 -10.9975 16.1099 -13.3753 -7.30116 TIMING: 3119000 CPU: 9393.37, 0.00303427/step Wall: 9393.37, 0.00303427/step, 1.58541 hours remaining, 209.464844 MB of memory in use. ENERGY: 3119000 691.9334 2045.8340 1928.3911 95.7195 -205949.3909 17648.1241 0.0000 0.0000 34193.3964 -149345.9923 298.6194 -183539.3887 -149242.1238 299.0845 -119.7385 -90.2750 556991.7382 6.0799 6.3309 PRESSURE: 3119200 98.8101 243.331 3.89844 243.33 -303.302 -14.6119 3.89758 -14.6124 -495.278 GPRESSURE: 3119200 156.962 105.166 -59.7487 183.992 -266.44 19.408 12.1433 39.7819 -486.652 PRESSAVG: 3119200 43.3787 -41.5061 -51.2869 -41.5061 -31.8969 -19.5567 -51.2869 -19.5567 -40.2914 GPRESSAVG: 3119200 43.9858 -39.6503 -52.1199 -43.7286 -32.3675 -19.1333 -52.7182 -17.0362 -40.2589 TIMING: 3119200 CPU: 9393.97, 0.00300195/step Wall: 9393.97, 0.00300195/step, 1.56835 hours remaining, 209.464844 MB of memory in use. ENERGY: 3119200 773.0482 2010.6795 1957.4120 101.2925 -205897.0514 17537.5706 0.0000 0.0000 34277.6296 -149239.4190 299.3551 -183517.0486 -149139.1701 299.0161 -233.2569 -198.7098 559146.0754 -9.6032 -9.5468 PRESSURE: 3119400 -31.5326 -160.254 -46.1376 -160.255 -183.857 49.3916 -46.1377 49.3917 -4.36818 GPRESSURE: 3119400 -52.5453 -76.287 -54.6189 -219.326 -105.206 -12.1894 -12.14 65.0317 30.578 PRESSAVG: 3119400 59.7301 40.5352 -62.632 40.5352 -52.7641 -34.9912 -62.632 -34.9913 -67.7898 GPRESSAVG: 3119400 59.5828 40.9017 -60.0627 38.8864 -52.4164 -35.2975 -63.6951 -38.1718 -67.7915 TIMING: 3119400 CPU: 9394.58, 0.00302703/step Wall: 9394.58, 0.00302703/step, 1.58129 hours remaining, 209.464844 MB of memory in use. ENERGY: 3119400 768.5250 2041.3042 1944.9729 115.7882 -206335.6659 17859.1050 0.0000 0.0000 34182.1792 -149423.7915 298.5215 -183605.9706 -149323.6070 299.4174 -73.2525 -42.3911 557848.5673 -20.2746 -20.2084 PRESSURE: 3119600 226.408 -231.169 36.8917 -231.17 79.0438 19.9063 36.8913 19.9051 28.1409 GPRESSURE: 3119600 250.166 -172.838 26.644 -256.613 150.53 82.4541 -68.0311 72.4204 22.1594 PRESSAVG: 3119600 21.033 1.44361 -0.0657386 1.44356 -13.2587 6.64841 -0.0658052 6.64828 13.5679 GPRESSAVG: 3119600 20.9284 -0.77967 0.293801 4.05811 -12.6749 7.22711 0.419876 8.966 12.9544 TIMING: 3119600 CPU: 9395.18, 0.0030225/step Wall: 9395.18, 0.0030225/step, 1.57875 hours remaining, 209.464844 MB of memory in use. ENERGY: 3119600 768.9632 2102.8124 1952.4200 106.4800 -206415.0996 18059.7877 0.0000 0.0000 34209.8315 -149214.8047 298.7630 -183424.6362 -149116.9513 299.4330 111.1976 140.9517 557551.9956 7.1141 7.0693 PRESSURE: 3119800 -69.6589 -139.653 -151.741 -139.653 240.838 133.61 -151.741 133.609 6.86802 GPRESSURE: 3119800 17.6143 -28.6113 -97.5939 -156.366 185.509 101.076 -126.174 129.602 54.0801 PRESSAVG: 3119800 -5.17297 -54.7665 49.475 -54.7666 15.3885 -37.463 49.475 -37.463 3.53584 GPRESSAVG: 3119800 -6.19045 -53.9211 48.4562 -56.6169 14.6292 -35.747 49.8756 -39.0935 4.73932 TIMING: 3119800 CPU: 9395.77, 0.0029699/step Wall: 9395.77, 0.0029699/step, 1.55111 hours remaining, 209.464844 MB of memory in use. ENERGY: 3119800 717.7960 2129.4748 1944.6708 105.6802 -206017.9366 17781.0919 0.0000 0.0000 34161.7536 -149177.4693 298.3431 -183339.2229 -149083.3542 298.8430 59.3489 85.7344 556492.3508 4.5838 4.3927 PRESSURE: 3120000 -194.425 -24.8453 -61.2555 -24.8434 -104.786 -222.87 -61.2563 -222.871 -155.925 GPRESSURE: 3120000 -132.019 -35.3249 -96.2543 -88.4712 -84.3598 -187.64 -44.2291 -268.205 -141.418 PRESSAVG: 3120000 -31.1078 -52.6949 43.7936 -52.6948 -28.4792 -38.4741 43.7936 -38.4742 38.257 GPRESSAVG: 3120000 -30.7416 -55.2517 44.7962 -50.1349 -28.4183 -40.0948 42.3137 -37.4936 38.0541 TIMING: 3120000 CPU: 9396.38, 0.00301075/step Wall: 9396.38, 0.00301075/step, 1.57228 hours remaining, 209.464844 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: 3120000 770.4003 2118.9405 1934.1667 118.3979 -205703.9384 17402.9499 0.0000 0.0000 34369.1454 -148989.9377 300.1543 -183359.0830 -148892.6183 300.2180 -151.7119 -119.2655 557424.6657 -7.1100 -7.0353 PRESSURE: 3120200 -23.0352 85.762 112.505 85.7616 -38.1808 43.3102 112.505 43.3086 14.8775 GPRESSURE: 3120200 -36.9154 49.2899 127.392 27.2655 14.906 4.56432 34.0199 81.4773 75.3867 PRESSAVG: 3120200 72.2377 -31.7783 55.4804 -31.7783 9.77968 -44.7911 55.4804 -44.791 -65.2439 GPRESSAVG: 3120200 73.4328 -30.3338 52.1814 -32.1936 9.38191 -43.3783 57.0593 -45.5772 -65.2311 TIMING: 3120200 CPU: 9396.98, 0.00299948/step Wall: 9396.98, 0.00299948/step, 1.56623 hours remaining, 209.464844 MB of memory in use. ENERGY: 3120200 749.7836 2037.1897 1932.4270 108.2625 -206068.2437 17691.5282 0.0000 0.0000 34396.3579 -149152.6947 300.3919 -183549.0527 -149057.4980 300.1165 -15.4462 17.7924 556414.4289 5.5911 5.8612 LDB: ============= START OF LOAD BALANCING ============== 9400.5 LDB: ============== END OF LOAD BALANCING =============== 9400.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9400.5 LDB: ============= START OF LOAD BALANCING ============== 9400.8 LDB: Largest compute 4802 load 0.031668 is 26.8% of average load 0.118130 LDB: Average compute 0.001748 is 1.5% of average load 0.118130 LDB: TIME 9400.81 LOAD: AVG 0.11813 MAX 0.211982 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.121 MB LDB: TIME 9400.81 LOAD: AVG 0.11813 MAX 0.211982 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.324 MB LDB: TIME 9400.81 LOAD: AVG 0.11813 MAX 0.211982 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.324 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9400.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9400.81 PRESSURE: 3120400 -68.0125 -6.73332 -43.8197 -6.73331 179.97 -78.4896 -43.819 -78.4891 -40.073 GPRESSURE: 3120400 -59.5671 -12.3503 -14.5359 -28.68 263.118 -39.5628 -13.2871 7.74885 -40.2637 PRESSAVG: 3120400 62.9462 14.9399 23.8453 14.9399 -71.4098 3.23087 23.8453 3.23079 -4.06122 GPRESSAVG: 3120400 62.0689 14.7431 27.2288 11.8283 -69.814 2.56647 23.2389 2.77226 -4.70025 TIMING: 3120400 CPU: 9397.6, 0.00310119/step Wall: 9397.6, 0.00310119/step, 1.61916 hours remaining, 210.320312 MB of memory in use. ENERGY: 3120400 751.1284 2148.1284 1922.1000 113.1063 -205893.4601 17807.1688 0.0000 0.0000 34278.0816 -148873.7465 299.3590 -183151.8281 -148774.1795 300.0947 23.9615 54.4291 557266.3551 -4.1749 -4.1484 PRESSURE: 3120600 -96.7002 -61.7568 24.1049 -61.7569 111.182 -17.5778 24.1048 -17.5778 125.934 GPRESSURE: 3120600 -57.1897 -79.2097 16.4004 -101.791 183.087 -82.4295 -24.8266 -109.888 116.581 PRESSAVG: 3120600 23.9756 0.879234 -3.27455 0.879253 -50.3028 57.7645 -3.27458 57.7645 4.52157 GPRESSAVG: 3120600 23.6724 1.6439 -2.66044 2.09621 -51.5182 55.5954 -4.33328 58.2996 5.91411 TIMING: 3120600 CPU: 9398.2, 0.00303716/step Wall: 9398.2, 0.00303716/step, 1.58557 hours remaining, 210.523438 MB of memory in use. ENERGY: 3120600 728.8588 2080.9602 1943.1736 105.7407 -205818.6044 17701.4198 0.0000 0.0000 34336.6636 -148921.7877 299.8706 -183258.4513 -148827.3690 300.1167 46.8053 80.8262 555566.8652 -7.2685 -7.3105 PRESSURE: 3120800 -260.424 29.3233 -86.8779 29.3247 -386.604 -21.2909 -86.8775 -21.2899 -110.504 GPRESSURE: 3120800 -248.637 5.39314 -181.122 27.59 -337.031 35.6405 -84.9949 -51.3351 -72.9898 PRESSAVG: 3120800 -43.7941 7.52422 -15.6921 7.52419 46.7935 -7.02195 -15.6921 -7.02193 9.00667 GPRESSAVG: 3120800 -42.3256 7.45179 -14.8236 8.24844 46.8643 -5.64965 -15.9614 -6.47782 7.84786 TIMING: 3120800 CPU: 9398.81, 0.00301625/step Wall: 9398.81, 0.00301625/step, 1.57448 hours remaining, 210.523438 MB of memory in use. ENERGY: 3120800 758.3456 2107.4250 1922.0875 106.9456 -205580.3456 17433.1134 0.0000 0.0000 34248.9312 -149003.4973 299.1044 -183252.4286 -148910.2230 300.1767 -252.5108 -219.5529 558438.7817 4.0021 4.1288 PRESSURE: 3121000 -168.629 188.029 -117.177 188.029 -79.9193 29.0468 -117.178 29.0465 -101.664 GPRESSURE: 3121000 -87.9529 122.934 -86.3195 234.685 -72.4104 76.6612 -88.8898 -21.893 -96.0791 PRESSAVG: 3121000 11.422 -7.17778 -8.71424 -7.17768 -18.9748 -21.7153 -8.71429 -21.7154 7.42221 GPRESSAVG: 3121000 10.2314 -8.33567 -11.2391 -7.59419 -18.499 -21.8109 -8.55254 -22.6559 8.38529 TIMING: 3121000 CPU: 9399.41, 0.00299813/step Wall: 9399.41, 0.00299813/step, 1.56486 hours remaining, 210.523438 MB of memory in use. ENERGY: 3121000 717.5452 2107.1582 1928.3895 111.8232 -205726.9644 17447.2731 0.0000 0.0000 34387.2257 -149027.5496 300.3122 -183414.7753 -148929.5786 300.4118 -116.7373 -85.4808 557917.1616 -0.0435 0.0392 PRESSURE: 3121200 135.478 -6.92532 -34.1046 -6.92605 -151.298 -180.323 -34.1044 -180.323 -162.458 GPRESSURE: 3121200 161.516 136.917 -81.2441 -29.2965 -65.3619 -163.401 55.9907 -155.152 -167.848 PRESSAVG: 3121200 12.8037 -1.14054 -26.563 -1.14054 35.1781 14.1214 -26.5631 14.1214 -29.7899 GPRESSAVG: 3121200 14.3673 -0.829571 -26.5372 -1.29606 34.9849 14.0354 -25.3483 13.8288 -31.3664 TIMING: 3121200 CPU: 9400.01, 0.00302976/step Wall: 9400.01, 0.00302976/step, 1.5812 hours remaining, 210.523438 MB of memory in use. ENERGY: 3121200 745.1563 2114.9644 1934.4683 107.7383 -205936.5574 17678.9340 0.0000 0.0000 34196.0672 -149159.2290 298.6428 -183355.2962 -149061.9903 299.8648 -59.4260 -23.8979 558203.6596 6.0640 5.9953 PRESSURE: 3121400 217.496 119.948 -65.7482 119.948 74.9746 -25.1986 -65.7476 -25.2006 123.847 GPRESSURE: 3121400 270.881 184.494 40.9985 84.3799 81.1156 10.7988 -108.237 18.0858 166.754 PRESSAVG: 3121400 -6.35346 -42.8057 -18.3963 -42.8058 27.6591 -20.8292 -18.3962 -20.8291 -53.9543 GPRESSAVG: 3121400 -7.70718 -41.4349 -17.3549 -44.9021 28.6542 -20.4185 -19.0677 -21.71 -53.8974 TIMING: 3121400 CPU: 9400.62, 0.00301579/step Wall: 9400.62, 0.00301579/step, 1.57374 hours remaining, 210.523438 MB of memory in use. ENERGY: 3121400 727.4119 2109.1143 1908.9912 112.2677 -206278.6525 17981.3493 0.0000 0.0000 34114.1302 -149325.3880 297.9272 -183439.5182 -149233.2461 299.2574 138.7724 172.9167 558235.6900 -10.8829 -10.9834 PRESSURE: 3121600 -6.96803 -249.585 11.7293 -249.586 -236.236 -20.2704 11.7294 -20.2682 -113.654 GPRESSURE: 3121600 9.35186 -323.471 64.8767 -200.313 -224.967 -21.8774 37.2032 46.5985 -56.693 PRESSAVG: 3121600 5.0719 13.8869 -5.55007 13.8869 -8.60798 -26.6118 -5.55014 -26.6117 -1.15628 GPRESSAVG: 3121600 5.11771 11.0449 -5.38096 15.7193 -9.87879 -28.1321 -5.71808 -26.3349 -0.629342 TIMING: 3121600 CPU: 9401.22, 0.00299871/step Wall: 9401.22, 0.00299871/step, 1.56466 hours remaining, 210.523438 MB of memory in use. ENERGY: 3121600 749.4321 2072.0263 1951.1012 113.7855 -206065.2548 17729.5872 0.0000 0.0000 34254.8916 -149194.4310 299.1565 -183449.3226 -149097.3465 299.0331 -118.9524 -90.7694 558524.1192 -1.5641 -1.7968 PRESSURE: 3121800 49.4848 -130.506 24.8122 -130.507 -281.685 -9.71961 24.8124 -9.71915 -19.8984 GPRESSURE: 3121800 106.528 -163.782 86.5642 -113.325 -265.679 -19.4337 47.6867 -55.9506 -9.46236 PRESSAVG: 3121800 30.1954 14.7835 -49.6988 14.7835 -72.0389 6.01524 -49.6988 6.01522 33.3597 GPRESSAVG: 3121800 31.5315 17.5585 -50.5447 15.9422 -71.2477 5.966 -49.4017 7.48826 31.3189 TIMING: 3121800 CPU: 9401.82, 0.0029991/step Wall: 9401.82, 0.0029991/step, 1.5647 hours remaining, 210.523438 MB of memory in use. ENERGY: 3121800 761.8980 2075.3091 1944.8803 112.1766 -206065.9597 17594.0095 0.0000 0.0000 34477.3023 -149100.3839 301.0989 -183577.6862 -149005.2988 299.5019 -84.0328 -56.2044 557355.2141 -2.8279 -2.7991 PRESSURE: 3122000 309.786 -91.9391 -53.5089 -91.9391 33.1604 -115.492 -53.5072 -115.493 20.5653 GPRESSURE: 3122000 327.397 -121.914 -69.9581 -99.9253 113.396 -138.257 -104.368 -114.337 19.3374 PRESSAVG: 3122000 -9.21981 43.3551 38.7632 43.3551 -9.96604 14.196 38.7632 14.196 45.8624 GPRESSAVG: 3122000 -10.2332 41.2649 39.5368 43.0778 -10.3544 15.5342 39.2873 13.0438 47.0247 TIMING: 3122000 CPU: 9402.41, 0.00299917/step Wall: 9402.41, 0.00299917/step, 1.56457 hours remaining, 210.523438 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: 3122000 747.2047 2076.5246 1941.8077 108.1645 -206246.0396 18043.3590 0.0000 0.0000 34219.3735 -149109.6056 298.8463 -183328.9791 -149014.6336 299.7045 121.1704 153.3768 557402.7976 8.8922 8.8124 PRESSURE: 3122200 -133.987 19.35 -54.5088 19.3493 324.788 -57.4128 -54.5087 -57.414 -121.071 GPRESSURE: 3122200 -125.057 70.4178 -138.815 22.467 348.489 -56.8535 -47.8728 -48.0861 -50.0541 PRESSAVG: 3122200 -37.0507 -35.6735 7.15938 -35.6735 33.9961 -29.3013 7.15942 -29.3013 16.8779 GPRESSAVG: 3122200 -37.1128 -34.2135 7.87318 -38.1437 33.908 -30.3244 5.16954 -28.3801 17.288 TIMING: 3122200 CPU: 9403.02, 0.00301376/step Wall: 9403.02, 0.00301376/step, 1.57201 hours remaining, 210.523438 MB of memory in use. ENERGY: 3122200 717.8458 2130.0575 1932.2621 135.5656 -206223.5447 17787.7648 0.0000 0.0000 34253.8449 -149266.2039 299.1473 -183520.0488 -149166.6798 299.6122 23.2435 57.7926 557664.3497 4.6077 4.6944 PRESSURE: 3122400 153.989 90.4833 -182.545 90.4824 -257.577 -27.9529 -182.545 -27.9524 -297.222 GPRESSURE: 3122400 191.143 117.695 -90.3847 49.7253 -228.711 -78.6745 -146.361 -48.3413 -271.524 PRESSAVG: 3122400 50.5233 -15.1086 -20.2597 -15.1087 2.0069 -52.6458 -20.2597 -52.6458 -33.5472 GPRESSAVG: 3122400 50.4958 -14.8948 -21.2322 -12.9065 1.63437 -52.258 -16.7805 -53.6114 -33.175 TIMING: 3122400 CPU: 9403.62, 0.00300928/step Wall: 9403.62, 0.00300928/step, 1.56951 hours remaining, 210.523438 MB of memory in use. ENERGY: 3122400 724.2327 2110.5629 1929.4643 114.3023 -205801.0070 17501.8359 0.0000 0.0000 34283.6445 -149136.9646 299.4076 -183420.6091 -149037.2470 298.5454 -133.6035 -103.0309 558643.2076 6.3277 6.3184 PRESSURE: 3122600 -66.1135 -200.391 -7.74115 -200.392 -45.4507 33.2725 -7.7412 33.2728 29.8804 GPRESSURE: 3122600 -20.2476 -212.272 66.1372 -203.029 -18.2526 53.0683 -75.5957 34.5409 53.0378 PRESSAVG: 3122600 79.8141 -38.0072 -22.0457 -38.0072 5.6903 28.9713 -22.0457 28.9714 -69.8103 GPRESSAVG: 3122600 79.2505 -39.4152 -19.5719 -35.4635 6.22538 29.0448 -24.2298 28.96 -69.8183 TIMING: 3122600 CPU: 9404.22, 0.00298669/step Wall: 9404.22, 0.00298669/step, 1.55756 hours remaining, 210.523438 MB of memory in use. ENERGY: 3122600 782.2507 2075.7897 1924.6174 113.8215 -206165.4459 17894.4131 0.0000 0.0000 34229.0139 -149145.5396 298.9305 -183374.5536 -149047.8796 299.2397 -27.2279 4.8459 557428.4329 5.2314 5.2192 PRESSURE: 3122800 34.2298 -85.7373 -121.987 -85.7361 339.568 2.8642 -121.987 2.86499 75.7827 GPRESSURE: 3122800 70.4503 -75.7299 -105.567 -123.538 430.695 -70.1898 -104.778 -39.7338 54.6546 PRESSAVG: 3122800 -83.2127 14.3733 15.4125 14.3733 46.5838 -24.6153 15.4124 -24.6153 26.38 GPRESSAVG: 3122800 -82.0525 15.9497 14.4807 11.9606 47.3867 -24.266 15.6999 -21.7749 24.3693 TIMING: 3122800 CPU: 9404.82, 0.00299777/step Wall: 9404.82, 0.00299777/step, 1.56317 hours remaining, 210.523438 MB of memory in use. ENERGY: 3122800 692.4788 2129.2835 1887.0390 108.8393 -206277.6095 17960.4341 0.0000 0.0000 34390.9756 -149108.5593 300.3449 -183499.5349 -149006.3569 298.9466 149.8602 185.2666 557917.5753 -3.4163 -3.4322 PRESSURE: 3123000 -54.854 -96.4683 22.2006 -96.4667 206.59 95.9827 22.1991 95.9827 93.115 GPRESSURE: 3123000 31.8544 45.7762 -18.7633 -122.333 217.722 23.8896 38.4243 154.912 97.0324 PRESSAVG: 3123000 -35.0753 -2.21086 -38.2158 -2.21089 -17.6161 15.1293 -38.2159 15.1293 -30.311 GPRESSAVG: 3123000 -34.9746 -1.81217 -38.7928 -2.74153 -19.9028 14.2309 -38.3476 13.6508 -28.4985 TIMING: 3123000 CPU: 9405.41, 0.00296877/step Wall: 9405.41, 0.00296877/step, 1.54788 hours remaining, 210.523438 MB of memory in use. ENERGY: 3123000 754.8623 2157.6822 1908.2245 110.3027 -206083.5667 17933.8505 0.0000 0.0000 34238.7620 -148979.8826 299.0156 -183218.6446 -148892.7980 298.9124 81.6169 115.5363 558890.1146 -27.6674 -27.7920 PRESSURE: 3123200 36.3563 -169.015 57.5012 -169.015 -327.386 -35.8805 57.5003 -35.8808 -171.42 GPRESSURE: 3123200 45.531 -168.765 -23.0946 -189.935 -287.942 -40.3917 79.9556 -97.7108 -128.011 PRESSAVG: 3123200 0.772978 -93.953 -63.9401 -93.9529 -21.2298 -16.2757 -63.9401 -16.2757 28.1307 GPRESSAVG: 3123200 0.269441 -92.3244 -65.6245 -94.5564 -20.4359 -16.2161 -62.1388 -18.0475 27.8301 TIMING: 3123200 CPU: 9406.01, 0.00298099/step Wall: 9406.01, 0.00298099/step, 1.55409 hours remaining, 210.523438 MB of memory in use. ENERGY: 3123200 779.2695 2107.8393 1927.2958 120.3766 -205919.6224 17673.6260 0.0000 0.0000 34229.7358 -149081.4793 298.9368 -183311.2151 -148989.1423 300.2114 -154.1499 -123.4742 558342.3682 2.5580 2.5545 PRESSURE: 3123400 -61.5298 52.1787 -55.9619 52.1785 42.8653 29.7224 -55.961 29.7227 -57.5851 GPRESSURE: 3123400 -26.1259 95.5933 -48.3904 51.31 81.289 45.2947 -125.768 120.053 -25.8218 PRESSAVG: 3123400 -40.3098 -42.6469 -9.01498 -42.6469 25.3461 -59.5715 -9.01493 -59.5715 30.7988 GPRESSAVG: 3123400 -40.9803 -44.2282 -7.25708 -42.0679 25.6029 -59.0094 -9.80114 -57.6116 31.1392 TIMING: 3123400 CPU: 9406.6, 0.00297987/step Wall: 9406.6, 0.00297987/step, 1.55334 hours remaining, 210.523438 MB of memory in use. ENERGY: 3123400 735.5832 2051.8528 1931.7577 110.3911 -205532.5965 17655.7998 0.0000 0.0000 34048.2677 -148998.9441 297.3520 -183047.2119 -148904.9031 298.9015 -25.4165 9.7804 558091.0307 5.2784 5.2539 PRESSURE: 3123600 -15.1702 -89.2751 44.7495 -89.2753 -148.971 -104.771 44.7497 -104.77 209.129 GPRESSURE: 3123600 -28.4861 -84.8156 25.7694 -32.8951 -65.8762 -37.4318 48.7078 -140.92 217.548 PRESSAVG: 3123600 -82.6179 -20.6908 -30.8162 -20.6909 -21.1882 37.0472 -30.8161 37.0472 76.6653 GPRESSAVG: 3123600 -82.6488 -21.2564 -32.8126 -18.0405 -21.5744 38.1358 -28.9179 35.258 76.7692 TIMING: 3123600 CPU: 9407.21, 0.00302876/step Wall: 9407.21, 0.00302876/step, 1.57866 hours remaining, 210.523438 MB of memory in use. ENERGY: 3123600 761.5597 2021.6244 1933.2006 123.1195 -205848.3167 17817.9583 0.0000 0.0000 34302.9426 -148887.9116 299.5761 -183190.8542 -148794.1506 299.5233 14.9960 41.0618 559556.3951 -9.0469 -9.1513 PRESSURE: 3123800 150.993 -27.2949 -177.455 -27.2941 -54.1843 -110.079 -177.454 -110.079 341.779 GPRESSURE: 3123800 180.605 -79.3132 -175.73 19.4542 -19.6775 -141.478 -176.108 -83.2703 370.074 PRESSAVG: 3123800 -20.5569 66.4357 7.70035 66.4357 -71.3309 28.9253 7.70039 28.9253 72.9913 GPRESSAVG: 3123800 -19.6964 66.0109 9.75171 63.8107 -70.5908 29.1309 4.63374 29.4578 71.8064 TIMING: 3123800 CPU: 9407.81, 0.00301015/step Wall: 9407.81, 0.00301015/step, 1.56879 hours remaining, 210.523438 MB of memory in use. ENERGY: 3123800 701.7517 2077.8467 1932.8698 109.0252 -206322.7040 18040.9743 0.0000 0.0000 34452.7967 -149007.4396 300.8848 -183460.2363 -148907.9236 299.2718 146.1961 177.0006 557434.5471 -6.2989 -6.1603 PRESSURE: 3124000 96.5262 147.713 -139.307 147.712 -222.503 -34.7291 -139.306 -34.7289 -51.7627 GPRESSURE: 3124000 145.787 170.432 -100.103 81.6013 -180.185 -5.60681 -141.919 -45.4693 -36.8172 PRESSAVG: 3124000 48.8494 39.846 10.3131 39.846 -25.925 -17.2695 10.3131 -17.2695 -22.8943 GPRESSAVG: 3124000 49.0719 40.7712 9.4643 41.1312 -25.8646 -19.7203 9.298 -15.1428 -23.1072 TIMING: 3124000 CPU: 9408.42, 0.00303356/step Wall: 9408.42, 0.00303356/step, 1.58082 hours remaining, 210.523438 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: 3124000 775.4456 2086.9708 1942.0701 106.5354 -205749.8845 17632.1257 0.0000 0.0000 34114.7582 -149091.9787 297.9327 -183206.7368 -148995.6045 300.0022 -59.2465 -23.7384 559066.5498 0.0100 0.0334 PRESSURE: 3124200 250.652 50.6313 -163.254 50.6313 120.906 98.098 -163.254 98.1004 150.018 GPRESSURE: 3124200 262.608 15.4908 -194.684 97.6668 168.773 122.845 -98.6735 148.357 177.4 PRESSAVG: 3124200 37.9433 -19.0865 49.4815 -19.0865 -17.0879 48.1854 49.4815 48.1854 -27.0755 GPRESSAVG: 3124200 36.4254 -19.8375 47.2533 -19.2731 -17.3893 48.2934 54.2161 47.6388 -25.6343 TIMING: 3124200 CPU: 9409.02, 0.0030284/step Wall: 9409.02, 0.0030284/step, 1.57797 hours remaining, 210.523438 MB of memory in use. ENERGY: 3124200 739.6849 2064.3000 1938.0995 127.8679 -206288.2391 18033.7194 0.0000 0.0000 34471.0370 -148913.5305 301.0441 -183384.5674 -148819.9929 299.4407 173.8586 202.9274 557377.8921 -2.0734 -2.1994 LDB: ============= START OF LOAD BALANCING ============== 9412.54 LDB: ============== END OF LOAD BALANCING =============== 9412.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9412.54 LDB: ============= START OF LOAD BALANCING ============== 9412.85 LDB: Largest compute 4802 load 0.031536 is 26.7% of average load 0.118089 LDB: Average compute 0.001748 is 1.5% of average load 0.118089 LDB: TIME 9412.85 LOAD: AVG 0.118089 MAX 0.210503 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.227 MB LDB: TIME 9412.85 LOAD: AVG 0.118089 MAX 0.210504 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.227 MB LDB: TIME 9412.85 LOAD: AVG 0.118089 MAX 0.210504 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.227 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9412.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9412.85 PRESSURE: 3124400 143.222 -39.1519 226.743 -39.1518 37.9026 -1.25812 226.743 -1.258 -132.029 GPRESSURE: 3124400 165.38 104.157 260.795 -136.586 60.4575 -41.9921 167.499 -3.89409 -83.8477 PRESSAVG: 3124400 31.0705 63.8751 83.1808 63.8751 3.5147 -1.94319 83.1809 -1.94313 -52.1614 GPRESSAVG: 3124400 31.1631 65.469 86.2749 62.8788 3.76141 -0.175944 79.7179 -5.0715 -52.2355 TIMING: 3124400 CPU: 9409.64, 0.00307567/step Wall: 9409.64, 0.00307567/step, 1.60242 hours remaining, 210.636719 MB of memory in use. ENERGY: 3124400 733.6262 2019.5882 1930.6726 114.7098 -205756.9827 17738.7716 0.0000 0.0000 34282.1903 -148937.4241 299.3949 -183219.6144 -148841.2063 300.3669 16.3650 47.3299 557774.5125 -5.8587 -5.7703 PRESSURE: 3124600 147.559 121.969 31.5604 121.969 73.4567 -35.3898 31.5592 -35.3894 59.4474 GPRESSURE: 3124600 113.87 116.779 39.6652 133.339 193.681 -72.653 18.4676 -23.8537 48.9807 PRESSAVG: 3124600 16.0899 29.51 13.9908 29.51 58.8306 -22.2265 13.9908 -22.2264 -65.2738 GPRESSAVG: 3124600 15.0065 28.6633 11.8092 29.8106 58.428 -22.179 15.4598 -21.5837 -64.396 TIMING: 3124600 CPU: 9410.24, 0.00301942/step Wall: 9410.24, 0.00301942/step, 1.57295 hours remaining, 210.839844 MB of memory in use. ENERGY: 3124600 743.8755 2075.5208 1910.6238 109.3033 -206222.6106 17966.8174 0.0000 0.0000 34302.6984 -149113.7715 299.5740 -183416.4699 -149014.1081 299.8459 93.4877 118.8439 557472.6313 3.2156 3.0128 PRESSURE: 3124800 -138.66 58.3071 -134.335 58.3095 -31.8544 -88.392 -134.335 -88.3932 -172.506 GPRESSURE: 3124800 -115.146 93.1522 -169.304 -16.808 -6.80897 -173.419 -129.663 -60.0563 -121.322 PRESSAVG: 3124800 -32.4362 17.1782 -1.6153 17.1782 84.8498 43.9144 -1.61533 43.9145 -23.4131 GPRESSAVG: 3124800 -32.7816 15.5655 -0.961793 16.6765 86.4699 41.2194 -3.2762 45.6556 -24.9636 TIMING: 3124800 CPU: 9410.85, 0.00304125/step Wall: 9410.85, 0.00304125/step, 1.58416 hours remaining, 210.839844 MB of memory in use. ENERGY: 3124800 765.1174 2106.0816 1924.4048 113.5513 -205797.9844 17656.6323 0.0000 0.0000 34158.8188 -149073.3781 298.3175 -183232.1970 -148975.5539 299.5769 -114.3401 -81.0923 558990.4097 9.6668 9.5749 PRESSURE: 3125000 -19.2582 24.8943 184.294 24.8939 -82.7475 -65.6972 184.293 -65.6976 -172.81 GPRESSURE: 3125000 14.2168 52.3468 150.799 -2.1874 -50.483 3.77081 190.725 -57.9379 -133.959 PRESSAVG: 3125000 -27.8539 10.351 73.8771 10.3509 -15.9454 24.5429 73.877 24.5428 32.1001 GPRESSAVG: 3125000 -26.3403 9.8529 74.3419 11.4125 -17.304 24.401 75.7639 24.5988 32.1829 TIMING: 3125000 CPU: 9411.45, 0.00302071/step Wall: 9411.45, 0.00302071/step, 1.57329 hours remaining, 210.839844 MB of memory in use. ENERGY: 3125000 750.0709 2072.5207 1962.7528 110.9738 -206323.5383 17888.4799 0.0000 0.0000 34333.2383 -149205.5020 299.8407 -183538.7403 -149108.4249 299.1913 -91.6052 -56.7416 558791.0833 -3.8997 -3.8204 PRESSURE: 3125200 -34.7519 192.14 -192.193 192.14 -188.082 80.4649 -192.192 80.467 2.13458 GPRESSURE: 3125200 -77.48 166.209 -198.713 172.602 -155.728 74.9609 -236.113 78.409 105.924 PRESSAVG: 3125200 -1.16282 -28.1559 41.8685 -28.1559 -34.8233 -35.0834 41.8685 -35.0835 25.4243 GPRESSAVG: 3125200 -1.80901 -27.0078 41.6751 -28.845 -34.8349 -34.0661 39.1467 -34.7608 26.0532 TIMING: 3125200 CPU: 9412.06, 0.00300763/step Wall: 9412.06, 0.00300763/step, 1.56631 hours remaining, 210.839844 MB of memory in use. ENERGY: 3125200 723.1686 2081.6442 1939.6230 117.1816 -206650.9046 17890.3195 0.0000 0.0000 34588.1567 -149310.8109 302.0670 -183898.9676 -149210.6797 298.9017 -73.5666 -42.4280 557846.3305 -3.5206 -3.5302 PRESSURE: 3125400 -96.9307 30.7137 -128.586 30.7138 -155.894 -4.77217 -128.586 -4.77273 -349.007 GPRESSURE: 3125400 -82.0095 95.9351 -136.639 -4.94245 -129.788 -5.70842 -141.928 -20.1806 -301.789 PRESSAVG: 3125400 61.6469 14.1143 -12.7873 14.1143 -25.2135 -24.6833 -12.7874 -24.6832 -24.4038 GPRESSAVG: 3125400 61.4758 13.3783 -12.8716 15.9165 -24.9298 -24.9033 -10.2259 -26.8589 -23.9335 TIMING: 3125400 CPU: 9412.66, 0.00300579/step Wall: 9412.66, 0.00300579/step, 1.56518 hours remaining, 210.839844 MB of memory in use. ENERGY: 3125400 751.5442 2078.9589 1916.3204 117.5559 -205877.0441 17516.9794 0.0000 0.0000 34248.3597 -149247.3257 299.0994 -183495.6853 -149157.7746 299.5403 -200.6108 -171.1956 557424.3821 4.0099 4.2042 PRESSURE: 3125600 -100.222 -100.225 -66.9817 -100.225 120.053 -100.11 -66.9813 -100.11 -115.572 GPRESSURE: 3125600 -74.5004 -58.3554 -52.3297 -92.0094 136.565 -136.706 -108.521 -38.3894 -68.3614 PRESSAVG: 3125600 47.5879 -17.3287 54.583 -17.3287 -77.4862 13.6656 54.583 13.6655 41.2268 GPRESSAVG: 3125600 47.3132 -16.777 52.818 -18.2325 -78.1469 14.0981 52.5306 15.0757 41.386 TIMING: 3125600 CPU: 9413.25, 0.00298242/step Wall: 9413.25, 0.00298242/step, 1.55284 hours remaining, 210.839844 MB of memory in use. ENERGY: 3125600 747.3487 2084.3947 1952.7744 114.4071 -205899.1300 17715.3874 0.0000 0.0000 34042.2253 -149242.5925 297.2992 -183284.8178 -149146.8653 298.7603 -31.9137 -2.0990 557972.9512 3.7762 3.5175 PRESSURE: 3125800 -215.849 60.2219 -10.0732 60.2207 -39.4891 78.1643 -10.0747 78.1635 -13.4364 GPRESSURE: 3125800 -175.032 153.559 53.129 -36.0113 -38.4408 69.4597 -46.8821 50.0585 41.5228 PRESSAVG: 3125800 31.3584 36.2883 -8.05026 36.2884 -36.7112 -29.4578 -8.05024 -29.4577 23.1329 GPRESSAVG: 3125800 30.7922 36.8798 -5.51963 34.1399 -35.5126 -29.3004 -7.11057 -28.8989 22.6502 TIMING: 3125800 CPU: 9413.85, 0.00298768/step Wall: 9413.85, 0.00298768/step, 1.55542 hours remaining, 210.839844 MB of memory in use. ENERGY: 3125800 757.4628 2111.4798 1936.8378 104.4529 -205821.8600 17595.5916 0.0000 0.0000 34195.0148 -149121.0203 298.6336 -183316.0351 -149024.3582 299.6860 -89.5915 -57.3168 556741.5753 5.9267 5.9766 PRESSURE: 3126000 203.495 -240.219 -20.8592 -240.218 -27.069 -1.6978 -20.8593 -1.69578 35.0403 GPRESSURE: 3126000 222.255 -67.7457 -91.0358 -334.407 35.7005 -43.9146 14.7127 60.6335 64.7079 PRESSAVG: 3126000 25.9919 -12.2419 -35.6868 -12.2418 -2.72441 -57.3428 -35.6867 -57.3428 -10.3901 GPRESSAVG: 3126000 26.1224 -10.8441 -36.8358 -11.6038 -2.45539 -58.8605 -35.9511 -56.1769 -10.712 TIMING: 3126000 CPU: 9414.45, 0.00299389/step Wall: 9414.45, 0.00299389/step, 1.55849 hours remaining, 211.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3126000 752.4315 2101.1955 1925.7360 111.1670 -206066.7450 17781.8643 0.0000 0.0000 34320.8404 -149073.5104 299.7324 -183394.3508 -148976.9242 299.7041 70.4889 107.5544 556219.1990 4.2924 4.3183 PRESSURE: 3126200 -105.023 45.0733 85.7962 45.0736 -71.5586 14.7815 85.796 14.7808 60.4075 GPRESSURE: 3126200 -99.0724 90.46 99.3644 104.938 -26.8331 10.1474 174.975 -11.8137 90.1358 PRESSAVG: 3126200 62.6511 -21.6494 26.7999 -21.6494 -4.38986 -20.0193 26.8 -20.0192 -16.1544 GPRESSAVG: 3126200 62.1588 -22.5767 25.2524 -21.3617 -4.63428 -18.1013 26.0445 -21.8266 -15.6476 TIMING: 3126200 CPU: 9415.05, 0.00302503/step Wall: 9415.05, 0.00302503/step, 1.57453 hours remaining, 211.042969 MB of memory in use. ENERGY: 3126200 708.1708 2122.7000 1934.4733 102.1707 -205883.3595 17579.8718 0.0000 0.0000 34282.2973 -149153.6756 299.3958 -183435.9729 -149052.8935 299.7812 -38.7248 -11.9232 556790.8883 14.0356 13.9590 PRESSURE: 3126400 -3.21188 148.129 -105.641 148.13 162.102 -91.0324 -105.641 -91.0342 242.283 GPRESSURE: 3126400 93.9708 161.995 -184.874 124.535 163.249 -30.6331 -81.4004 -57.0156 243.882 PRESSAVG: 3126400 60.7455 41.3994 -49.6303 41.3993 -99.8583 -21.8721 -49.6304 -21.8721 43.3304 GPRESSAVG: 3126400 61.733 41.2961 -49.5165 41.0321 -100.236 -22.4958 -47.4235 -20.5359 41.8169 TIMING: 3126400 CPU: 9415.66, 0.0030053/step Wall: 9415.66, 0.0030053/step, 1.56409 hours remaining, 211.042969 MB of memory in use. ENERGY: 3126400 720.4926 2113.6065 1938.0411 107.4172 -206468.6455 17972.6546 0.0000 0.0000 34262.6933 -149353.7403 299.2246 -183616.4336 -149259.5940 298.6932 133.7246 167.0341 555825.8959 1.4059 1.1046 PRESSURE: 3126600 189.848 30.6594 -16.8228 30.6599 -51.1604 -27.1144 -16.8221 -27.1142 -202.237 GPRESSURE: 3126600 175.113 22.9569 25.4701 79.7741 23.749 -96.1062 -16.8482 46.677 -168.504 PRESSAVG: 3126600 35.346 -31.3516 1.39835 -31.3515 -35.7692 47.9893 1.39827 47.9894 -14.9584 GPRESSAVG: 3126600 33.324 -30.7556 3.18027 -30.9277 -34.0494 46.932 0.290876 49.8731 -14.9296 TIMING: 3126600 CPU: 9416.26, 0.00303282/step Wall: 9416.26, 0.00303282/step, 1.57825 hours remaining, 211.042969 MB of memory in use. ENERGY: 3126600 715.9283 2086.9287 1945.2776 116.1012 -206290.0165 17829.8784 0.0000 0.0000 34202.4237 -149393.4786 298.6983 -183595.9023 -149296.6192 298.6937 -21.1830 10.1194 556660.9549 -5.1272 -5.2183 PRESSURE: 3126800 86.099 24.8384 -17.4511 24.8399 -39.2636 117.411 -17.4497 117.41 11.5262 GPRESSURE: 3126800 152.577 -62.8349 -25.2926 5.25881 -6.02369 133.548 -99.0378 65.7571 12.3481 PRESSAVG: 3126800 -16.6626 -45.8723 -0.915397 -45.8722 18.717 46.3322 -0.915447 46.3321 6.81291 GPRESSAVG: 3126800 -15.9909 -45.0242 -1.62735 -46.3018 18.0772 45.6565 -2.80628 45.5121 6.8387 TIMING: 3126800 CPU: 9416.86, 0.00301198/step Wall: 9416.86, 0.00301198/step, 1.56723 hours remaining, 211.042969 MB of memory in use. ENERGY: 3126800 753.6507 2056.8926 1934.9028 106.8823 -206205.9363 17717.3285 0.0000 0.0000 34359.8180 -149276.4614 300.0728 -183636.2794 -149182.8615 299.3482 19.4539 52.9671 555078.8789 2.9558 2.9750 PRESSURE: 3127000 -151.322 -24.8188 99.0979 -24.8178 -53.7186 68.4809 99.0979 68.4798 -149.884 GPRESSURE: 3127000 -125.18 -82.3978 168.566 -23.4581 -71.2395 103.737 129.818 72.8969 -60.4907 PRESSAVG: 3127000 -7.07982 -53.3802 12.42 -53.3803 20.6412 5.37371 12.42 5.37353 22.1618 GPRESSAVG: 3127000 -6.26055 -53.6669 10.9028 -54.5048 19.0403 4.88131 14.0718 4.20842 23.2155 TIMING: 3127000 CPU: 9417.46, 0.00300061/step Wall: 9417.46, 0.00300061/step, 1.56115 hours remaining, 211.042969 MB of memory in use. ENERGY: 3127000 786.9885 2091.6174 1962.4264 128.4293 -206575.8680 17884.1592 0.0000 0.0000 34472.9986 -149249.2488 301.0613 -183722.2473 -149147.0734 299.6285 -118.3084 -85.6366 558866.9012 11.9077 11.9984 PRESSURE: 3127200 135.238 -57.7803 -101.832 -57.7797 68.9857 112.21 -101.831 112.208 -95.3105 GPRESSURE: 3127200 145.91 -18.8227 -87.6024 -56.5761 32.797 89.198 -189.296 146.161 19.3473 PRESSAVG: 3127200 35.7401 -10.6728 10.7964 -10.6727 21.7996 29.6906 10.7964 29.6906 -51.958 GPRESSAVG: 3127200 34.727 -9.83968 13.1853 -9.50173 23.0159 32.711 9.50716 27.7585 -52.3736 TIMING: 3127200 CPU: 9418.06, 0.00298431/step Wall: 9418.06, 0.00298431/step, 1.55251 hours remaining, 211.042969 MB of memory in use. ENERGY: 3127200 750.1880 2101.0000 1941.2598 117.6950 -206520.4358 18203.7387 0.0000 0.0000 34054.5416 -149352.0126 297.4068 -183406.5542 -149262.8175 299.0649 36.3042 66.0183 560369.7252 1.8606 1.7898 PRESSURE: 3127400 56.8149 69.323 -245.082 69.3226 24.0287 23.3172 -245.082 23.3177 44.1998 GPRESSURE: 3127400 62.8132 65.4993 -233.381 93.3952 88.3858 47.1883 -294.649 34.1299 66.5502 PRESSAVG: 3127400 14.5989 11.0625 -37.3581 11.0625 -15.3884 30.9345 -37.3583 30.9344 -32.9087 GPRESSAVG: 3127400 15.0213 9.15119 -38.5034 9.33804 -16.033 29.2046 -36.8307 32.1183 -33.21 TIMING: 3127400 CPU: 9418.66, 0.00297938/step Wall: 9418.66, 0.00297938/step, 1.54977 hours remaining, 211.042969 MB of memory in use. ENERGY: 3127400 722.4871 2057.1901 1912.9849 115.5237 -206316.2543 17922.4519 0.0000 0.0000 34224.5150 -149361.1016 298.8912 -183585.6166 -149268.2726 298.3039 41.6811 72.5831 559577.8682 -11.2328 -11.4072 PRESSURE: 3127600 191.656 83.4636 -32.7552 83.4636 189.599 12.944 -32.7554 12.9425 188.181 GPRESSURE: 3127600 232.434 65.5599 -40.4872 34.5598 209.852 38.0799 3.40496 -4.31395 228.749 PRESSAVG: 3127600 -7.46006 -15.9618 -26.2119 -15.9617 -20.1355 -28.9419 -26.2118 -28.9419 0.457559 GPRESSAVG: 3127600 -6.84283 -16.56 -26.0862 -14.4241 -19.8503 -27.3716 -25.9305 -29.7673 0.29323 TIMING: 3127600 CPU: 9419.26, 0.00299659/step Wall: 9419.26, 0.00299659/step, 1.55856 hours remaining, 211.187500 MB of memory in use. ENERGY: 3127600 692.2611 2120.5764 1919.8365 110.8609 -206506.7858 18161.2931 0.0000 0.0000 34281.6432 -149220.3146 299.3901 -183501.9578 -149137.0336 298.8151 189.8123 223.6785 558327.9493 -9.0460 -8.8000 PRESSURE: 3127800 314.394 -61.6741 -56.8352 -61.674 111.861 -122.467 -56.8379 -122.468 -155.304 GPRESSURE: 3127800 361.836 -95.3272 -99.0311 -27.3381 55.7771 -159.604 47.0584 -80.0106 -47.0615 PRESSAVG: 3127800 43.9917 1.00407 -17.5585 1.00402 -4.33694 -46.3438 -17.5584 -46.3438 -7.64649 GPRESSAVG: 3127800 42.9094 2.07484 -18.2427 1.12946 -3.8847 -48.266 -16.8863 -45.5685 -6.94174 TIMING: 3127800 CPU: 9419.86, 0.00301944/step Wall: 9419.86, 0.00301944/step, 1.57028 hours remaining, 211.187500 MB of memory in use. ENERGY: 3127800 750.3290 2110.4910 1931.4381 107.3528 -206232.0493 18003.1661 0.0000 0.0000 34201.4964 -149127.7759 298.6902 -183329.2723 -149029.2948 299.0563 90.3171 123.5174 558218.9814 10.6694 10.6943 PRESSURE: 3128000 45.5198 -182.882 -63.3629 -182.883 -21.2957 2.82071 -63.3649 2.82053 -141.166 GPRESSURE: 3128000 111.05 -154.661 -49.6019 -223.254 -21.8932 -37.0219 -79.909 -42.1936 -110.944 PRESSAVG: 3128000 53.5854 -22.9751 -27.4676 -22.9752 -16.0509 -43.3146 -27.4675 -43.3146 13.5147 GPRESSAVG: 3128000 54.2012 -23.9684 -26.5445 -21.8427 -16.4122 -42.0323 -31.0069 -42.6879 13.0532 TIMING: 3128000 CPU: 9420.46, 0.0030135/step Wall: 9420.46, 0.0030135/step, 1.56702 hours remaining, 211.187500 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: 3128000 725.7272 2096.5339 1928.1744 132.2991 -205920.5780 17758.3997 0.0000 0.0000 34329.6410 -148949.8027 299.8093 -183279.4437 -148859.5495 300.1784 -38.9805 -7.2622 558213.0026 17.0164 16.9474 PRESSURE: 3128200 -172.03 91.1018 -68.3773 91.1008 -357.877 -127.235 -68.376 -127.234 91.7935 GPRESSURE: 3128200 -155.528 91.4876 -57.5407 149.597 -307.645 -95.9285 -93.184 -84.878 119.111 PRESSAVG: 3128200 62.1035 -1.1526 -1.83878 -1.15261 -14.4162 12.3685 -1.83886 12.3685 -18.6328 GPRESSAVG: 3128200 62.4461 0.370468 -4.19793 -2.95819 -15.1532 13.1923 1.62556 11.4793 -18.5815 TIMING: 3128200 CPU: 9421.06, 0.00300345/step Wall: 9421.06, 0.00300345/step, 1.56163 hours remaining, 211.187500 MB of memory in use. ENERGY: 3128200 755.3724 2149.2135 1932.8151 129.8123 -206184.3752 17714.8223 0.0000 0.0000 34391.8540 -149110.4857 300.3526 -183502.3397 -149012.4774 300.0375 -146.0378 -114.6876 558203.6940 9.6848 9.5705 LDB: ============= START OF LOAD BALANCING ============== 9424.58 LDB: ============== END OF LOAD BALANCING =============== 9424.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9424.58 LDB: ============= START OF LOAD BALANCING ============== 9424.88 LDB: Largest compute 4802 load 0.032691 is 27.7% of average load 0.118104 LDB: Average compute 0.001749 is 1.5% of average load 0.118104 LDB: TIME 9424.88 LOAD: AVG 0.118104 MAX 0.210016 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.691 MB LDB: TIME 9424.88 LOAD: AVG 0.118104 MAX 0.210016 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.691 MB LDB: TIME 9424.88 LOAD: AVG 0.118104 MAX 0.210016 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.691 MB LDB: ============== END OF LOAD BALANCING =============== 9424.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9424.89 PRESSURE: 3128400 41.576 64.4285 57.2575 64.4297 -76.7999 131.225 57.2582 131.225 16.7405 GPRESSURE: 3128400 96.2681 150.98 57.8812 -3.58009 -28.0183 99.9388 52.242 183.925 11.2767 PRESSAVG: 3128400 15.966 -2.43413 2.33923 -2.43426 -50.8607 -15.1715 2.33927 -15.1715 20.4427 GPRESSAVG: 3128400 15.5704 -1.87097 5.31755 -1.64144 -50.5104 -16.7625 1.9225 -14.6682 20.8195 TIMING: 3128400 CPU: 9421.67, 0.00303984/step Wall: 9421.67, 0.00303984/step, 1.58038 hours remaining, 208.835938 MB of memory in use. ENERGY: 3128400 740.6448 2049.4559 1919.4403 124.0974 -205858.5916 17840.4347 0.0000 0.0000 34107.6368 -149076.8817 297.8705 -183184.5185 -148979.5259 299.2330 -6.1611 26.5088 558435.1701 -4.8173 -4.7069 PRESSURE: 3128600 130.47 -74.2352 -124.529 -74.2359 88.0817 87.5901 -124.53 87.5915 -228.555 GPRESSURE: 3128600 67.1095 -92.8669 -129.611 -76.6442 131.133 100.101 -125.407 120.642 -128.837 PRESSAVG: 3128600 18.2418 -41.8096 -5.47007 -41.8096 -2.0106 13.0946 -5.47005 13.0944 10.9883 GPRESSAVG: 3128600 18.2905 -42.6362 -7.07912 -42.9273 -1.21573 12.5447 -7.11824 12.3257 10.0815 TIMING: 3128600 CPU: 9422.26, 0.00296105/step Wall: 9422.26, 0.00296105/step, 1.53925 hours remaining, 208.835938 MB of memory in use. ENERGY: 3128600 766.2921 2033.2581 1963.2120 116.8684 -206151.3171 17899.0837 0.0000 0.0000 34276.1028 -149096.5000 299.3417 -183372.6028 -148995.4416 299.4185 -3.3344 23.1352 557223.8979 9.0732 9.0521 PRESSURE: 3128800 -238.343 -132.898 95.0328 -132.898 -88.1849 -63.4067 95.0332 -63.4072 36.6727 GPRESSURE: 3128800 -187.878 -119.139 28.4774 -26.2182 -50.1969 -68.7308 124.655 -119.183 44.1785 PRESSAVG: 3128800 33.5567 -28.709 -23.0278 -28.709 -1.59965 12.9262 -23.0278 12.9263 7.83105 GPRESSAVG: 3128800 34.3091 -30.2005 -22.5258 -26.7117 -2.70929 12.8401 -21.8215 13.2801 7.71647 TIMING: 3128800 CPU: 9422.86, 0.00296004/step Wall: 9422.86, 0.00296004/step, 1.53856 hours remaining, 208.835938 MB of memory in use. ENERGY: 3128800 735.8376 2076.4631 1956.1122 116.8078 -205690.5415 17517.9716 0.0000 0.0000 34306.6932 -148980.6560 299.6089 -183287.3493 -148888.2164 299.8180 -96.6185 -64.6322 557440.0885 13.2627 13.1054 PRESSURE: 3129000 -87.8445 74.6063 -88.5213 74.6054 -79.1959 -50.0815 -88.5215 -50.0802 -203.664 GPRESSURE: 3129000 -71.7708 85.5111 -124.586 121.261 -34.267 -109.108 -63.8144 -18.924 -158.065 PRESSAVG: 3129000 32.0324 -28.6631 -28.2987 -28.663 6.99829 -23.4298 -28.2988 -23.4298 -48.1831 GPRESSAVG: 3129000 31.5575 -28.3132 -28.03 -30.6115 7.08104 -24.4302 -27.7631 -22.0167 -48.2373 TIMING: 3129000 CPU: 9423.46, 0.00299955/step Wall: 9423.46, 0.00299955/step, 1.55893 hours remaining, 208.835938 MB of memory in use. ENERGY: 3129000 739.0574 2104.0533 1972.1542 99.4879 -205621.8030 17446.0185 0.0000 0.0000 34264.4872 -148996.5444 299.2403 -183261.0316 -148897.5086 299.8079 -123.5680 -88.0344 556573.4489 -3.0508 -3.1996 PRESSURE: 3129200 4.92138 -72.7307 60.4586 -72.7316 -59.1019 17.3274 60.4583 17.3273 215.831 GPRESSURE: 3129200 72.0732 -116.414 90.7839 -118.143 -55.0103 32.6929 24.0374 -38.4813 244.518 PRESSAVG: 3129200 4.25134 26.2785 -27.6834 26.2784 26.2671 -2.45562 -27.6834 -2.45575 -12.0856 GPRESSAVG: 3129200 4.59708 26.5783 -26.8283 26.3856 26.6006 0.757414 -29.3711 -5.94052 -12.523 TIMING: 3129200 CPU: 9424.05, 0.00299408/step Wall: 9424.05, 0.00299408/step, 1.55592 hours remaining, 208.835938 MB of memory in use. ENERGY: 3129200 736.7687 2099.4671 1936.2223 125.6413 -206043.8900 17902.8151 0.0000 0.0000 34210.4544 -149032.5211 298.7684 -183242.9754 -148944.4332 299.6516 53.8835 87.1935 557039.0362 6.1443 6.2249 PRESSURE: 3129400 -90.5916 -122.221 22.9485 -122.221 122.771 -2.2789 22.9489 -2.27867 27.2629 GPRESSURE: 3129400 -83.6877 -148.865 24.4904 -62.361 216.163 71.9321 33.1544 -47.8376 25.5953 PRESSAVG: 3129400 -4.96894 -19.7252 26.9713 -19.7253 -8.76473 -53.7701 26.9713 -53.7702 -8.329 GPRESSAVG: 3129400 -4.72297 -20.5491 27.7939 -21.2875 -8.3362 -55.6207 26.6326 -52.7981 -8.86219 TIMING: 3129400 CPU: 9424.66, 0.00300916/step Wall: 9424.66, 0.00300916/step, 1.56359 hours remaining, 208.835938 MB of memory in use. ENERGY: 3129400 717.8917 2110.0244 1929.9638 111.0218 -205965.9150 17729.8982 0.0000 0.0000 34433.5807 -148933.5343 300.7170 -183367.1150 -148835.2181 299.6865 19.8143 52.6902 556076.9085 -7.3542 -7.3071 PRESSURE: 3129600 59.1233 -49.6701 103.991 -49.6708 -207.277 -214.114 103.991 -214.115 -87.5633 GPRESSURE: 3129600 76.6586 -43.1391 149.928 70.9317 -196.374 -233.051 105.881 -191.646 -14.2033 PRESSAVG: 3129600 57.6386 -9.52268 -6.55033 -9.52273 -49.5346 11.632 -6.55031 11.632 -6.04378 GPRESSAVG: 3129600 57.4588 -8.99084 -7.46043 -7.76295 -49.2906 12.1163 -4.4157 11.8606 -5.21535 TIMING: 3129600 CPU: 9425.26, 0.00302421/step Wall: 9425.26, 0.00302421/step, 1.57125 hours remaining, 208.902344 MB of memory in use. ENERGY: 3129600 740.3579 2078.9063 1956.5299 115.2477 -205477.7986 17525.3764 0.0000 0.0000 34109.2468 -148952.1337 297.8845 -183061.3805 -148857.2852 299.6192 -78.5725 -44.6394 556070.8091 0.6867 0.9843 PRESSURE: 3129800 8.71139 16.5352 -71.1067 16.5353 -13.5744 25.7472 -71.1061 25.7481 18.4136 GPRESSURE: 3129800 47.4123 42.6628 -24.7826 42.1396 -34.5562 -45.9427 -87.4531 -9.11684 93.6627 PRESSAVG: 3129800 95.9714 32.4724 -22.218 32.4724 -32.2947 4.90973 -22.2179 4.90973 -39.7527 GPRESSAVG: 3129800 96.1931 31.6422 -23.6894 32.4132 -33.0639 4.66471 -22.6528 4.92525 -39.7628 TIMING: 3129800 CPU: 9425.86, 0.00301005/step Wall: 9425.86, 0.00301005/step, 1.56372 hours remaining, 208.902344 MB of memory in use. ENERGY: 3129800 751.5137 2135.4983 1923.3345 105.5024 -205803.7355 17679.7520 0.0000 0.0000 34110.1239 -149098.0106 297.8922 -183208.1345 -149007.3580 299.7977 4.5169 35.5063 556531.2378 7.9747 7.7888 PRESSURE: 3130000 -63.7682 78.2732 281.596 78.2732 -144.586 -108.467 281.596 -108.467 -120.145 GPRESSURE: 3130000 -52.1 56.9378 245.809 12.2403 -112.743 -142.264 266.431 32.4734 -78.2046 PRESSAVG: 3130000 -20.3948 45.8972 25.7917 45.8972 -60.9831 1.38617 25.7918 1.38623 69.4378 GPRESSAVG: 3130000 -21.1235 44.9801 27.2509 45.8518 -60.1654 1.02564 26.3699 2.80969 69.214 TIMING: 3130000 CPU: 9426.47, 0.00301576/step Wall: 9426.47, 0.00301575/step, 1.56652 hours remaining, 208.902344 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: 3130000 771.0071 2124.0142 1919.3732 121.1448 -206330.1428 17953.9016 0.0000 0.0000 34384.2819 -149056.4199 300.2865 -183440.7019 -148960.9100 299.6480 -109.5000 -81.0158 556761.7268 -3.9800 -4.0250 PRESSURE: 3130200 -46.8446 -29.1662 -70.0804 -29.1654 -126.471 -76.4812 -70.0821 -76.4816 35.8262 GPRESSURE: 3130200 -12.9145 5.15001 -84.6825 57.5322 -92.7444 -42.0253 -39.3094 -137.623 59.4743 PRESSAVG: 3130200 3.82769 37.8888 25.1648 37.8889 -35.1757 -34.7151 25.1647 -34.715 41.3922 GPRESSAVG: 3130200 3.10642 40.8824 25.7442 36.2825 -34.4496 -34.7518 23.5183 -36.0955 42.0195 TIMING: 3130200 CPU: 9427.08, 0.00304376/step Wall: 9427.08, 0.00304376/step, 1.58089 hours remaining, 208.902344 MB of memory in use. ENERGY: 3130200 744.1304 2056.7758 1956.7570 118.1677 -206072.0782 17776.4997 0.0000 0.0000 34230.6993 -149189.0484 298.9452 -183419.7476 -149092.1799 299.6459 -45.8297 -15.3949 556284.1494 3.3481 3.5588 PRESSURE: 3130400 -75.8975 173.951 -149.129 173.95 -15.4499 151.351 -149.129 151.352 -82.5547 GPRESSURE: 3130400 -39.5688 270.817 -99.882 120.199 -25.9684 106.997 -143.938 241.646 -6.36124 PRESSAVG: 3130400 -29.274 39.9266 59.4637 39.9266 45.845 24.0888 59.4636 24.0887 36.9506 GPRESSAVG: 3130400 -28.0869 38.2864 57.1427 41.5226 45.3609 23.9796 58.8871 25.708 36.1008 TIMING: 3130400 CPU: 9427.68, 0.00301522/step Wall: 9427.68, 0.00301522/step, 1.56591 hours remaining, 208.902344 MB of memory in use. ENERGY: 3130400 751.6795 2126.4484 1947.2317 103.6401 -206053.2307 17777.9124 0.0000 0.0000 34196.4757 -149149.8428 298.6463 -183346.3185 -149059.5437 300.0735 -57.9674 -23.9662 557755.4654 17.8405 17.7916 PRESSURE: 3130600 -49.4245 26.6948 16.915 26.6938 -93.6079 64.4506 16.9153 64.4516 136.742 GPRESSURE: 3130600 10.9315 -65.8116 -76.619 25.2403 -70.023 130.248 -3.54985 39.6306 154.645 PRESSAVG: 3130600 -0.697884 66.3167 -20.192 66.3167 -47.5372 25.6208 -20.1919 25.6208 2.052 GPRESSAVG: 3130600 -1.42969 68.1609 -16.9925 65.0965 -48.8076 27.6765 -20.7563 23.2806 3.73047 TIMING: 3130600 CPU: 9428.29, 0.003036/step Wall: 9428.29, 0.003036/step, 1.57653 hours remaining, 208.902344 MB of memory in use. ENERGY: 3130600 715.8395 2145.7253 1925.7414 117.9309 -206524.9611 17828.1106 0.0000 0.0000 34700.0490 -149091.5645 303.0442 -183791.6134 -148997.5721 300.1571 -2.0967 31.8511 555779.9942 -15.3944 -15.5023 PRESSURE: 3130800 141.533 -65.5901 33.0336 -65.5903 242.949 2.59966 33.0332 2.60091 207.218 GPRESSURE: 3130800 194.8 -99.4216 -127.584 34.7643 311.74 -21.6094 129.323 -34.7054 195.194 PRESSAVG: 3130800 35.0838 16.6666 33.5538 16.6665 2.96119 34.5583 33.5538 34.5584 3.20051 GPRESSAVG: 3130800 34.3875 16.08 29.7654 17.3297 4.50416 31.5459 34.9552 37.3393 1.99045 TIMING: 3130800 CPU: 9428.89, 0.00303017/step Wall: 9428.89, 0.00303017/step, 1.57333 hours remaining, 208.902344 MB of memory in use. ENERGY: 3130800 740.2946 2101.4094 1950.2171 114.4233 -206264.1349 18057.8686 0.0000 0.0000 34299.5730 -149000.3490 299.5467 -183299.9219 -148910.1815 300.0597 197.2330 233.9116 558036.7952 13.7485 13.6274 PRESSURE: 3131000 122.896 81.0831 55.7166 81.0833 -256.596 163.684 55.7167 163.684 -234.184 GPRESSURE: 3131000 126.648 49.4443 91.4647 81.5398 -230.334 215.706 92.5412 88.3423 -180.589 PRESSAVG: 3131000 45.032 -9.0127 10.9571 -9.0127 -78.9633 -24.4652 10.9571 -24.4651 -23.5917 GPRESSAVG: 3131000 45.4863 -8.68677 11.7577 -8.93727 -79.5857 -22.4171 11.2604 -28.6881 -23.7752 TIMING: 3131000 CPU: 9429.5, 0.00302482/step Wall: 9429.5, 0.00302482/step, 1.57038 hours remaining, 208.902344 MB of memory in use. ENERGY: 3131000 696.0557 2148.7813 1930.9851 121.7171 -205773.4484 17643.0873 0.0000 0.0000 34264.8688 -148967.9530 299.2436 -183232.8218 -148870.5030 299.7849 -122.6281 -94.7583 558998.8309 -19.1743 -19.2916 PRESSURE: 3131200 -13.8774 55.5952 16.653 55.5945 57.1414 -23.9887 16.654 -23.9892 -190.369 GPRESSURE: 3131200 -22.3849 -8.91308 -15.5195 72.2904 112.889 -80.4257 128.17 26.5155 -134.976 PRESSAVG: 3131200 28.3507 26.3574 -22.6855 26.3574 -67.4207 -25.7191 -22.6856 -25.7191 38.5516 GPRESSAVG: 3131200 28.9385 22.5105 -22.4552 28.2692 -67.9078 -26.5984 -22.9593 -24.9167 38.8924 TIMING: 3131200 CPU: 9430.1, 0.00299583/step Wall: 9430.1, 0.00299583/step, 1.55517 hours remaining, 208.902344 MB of memory in use. ENERGY: 3131200 730.2230 2145.4285 1916.7133 116.6600 -205574.4466 17627.7420 0.0000 0.0000 34025.0458 -149012.6339 297.1492 -183037.6798 -148919.4680 300.2230 -49.0350 -14.8241 558563.9366 -0.1728 -0.0256 PRESSURE: 3131400 271.112 -99.1505 77.8966 -99.1493 37.8074 -92.076 77.8989 -92.0773 -198.229 GPRESSURE: 3131400 274.575 -148.946 50.132 25.0319 39.4112 -156.788 128.151 -142.173 -99.8199 PRESSAVG: 3131400 -33.2611 -41.2287 -9.39887 -41.2287 9.54212 -31.7958 -9.39888 -31.7958 16.6272 GPRESSAVG: 3131400 -33.8078 -38.8161 -8.29858 -43.0393 9.67353 -33.9971 -11.0574 -29.2852 16.8948 TIMING: 3131400 CPU: 9430.69, 0.00299067/step Wall: 9430.69, 0.00299067/step, 1.55232 hours remaining, 208.902344 MB of memory in use. ENERGY: 3131400 755.6193 2133.6216 1919.8652 115.0385 -206248.1524 17929.9000 0.0000 0.0000 34260.5566 -149133.5512 299.2060 -183394.1078 -149042.7451 299.5379 36.8968 71.3888 556919.4816 -2.3639 -2.4132 PRESSURE: 3131600 68.1468 -34.6252 -175.181 -34.6248 -254.484 -24.1545 -175.181 -24.1547 -54.9441 GPRESSURE: 3131600 87.5067 -53.4939 -145.66 -11.5047 -212.436 91.8796 -270.333 -143.739 -3.93777 PRESSAVG: 3131600 69.7736 40.2166 13.5658 40.2166 -12.6353 -33.9587 13.5657 -33.9587 -50.4225 GPRESSAVG: 3131600 70.3165 40.6467 11.0855 40.0865 -12.7337 -33.5307 15.3921 -34.6104 -50.8692 TIMING: 3131600 CPU: 9431.29, 0.00299366/step Wall: 9431.29, 0.00299366/step, 1.55371 hours remaining, 208.902344 MB of memory in use. ENERGY: 3131600 751.3671 2022.6255 1902.5647 108.6668 -206135.0285 17865.5438 0.0000 0.0000 34304.2306 -149180.0300 299.5874 -183484.2606 -149077.7122 299.6155 -80.4272 -42.9556 558092.7802 2.2386 2.2379 PRESSURE: 3131800 -1.83481 50.3607 -110.085 50.36 91.3704 -8.85083 -110.085 -8.85153 50.835 GPRESSURE: 3131800 18.5239 -26.8538 -124.083 81.0568 154.539 49.505 -109.418 28.9256 74.8434 PRESSAVG: 3131800 33.5459 28.8277 -22.0104 28.8277 3.01231 -15.4538 -22.0104 -15.4539 -35.237 GPRESSAVG: 3131800 32.9733 29.0864 -18.5173 28.2557 2.67556 -12.6454 -23.3166 -14.9436 -34.8434 TIMING: 3131800 CPU: 9431.89, 0.00299826/step Wall: 9431.89, 0.00299826/step, 1.55593 hours remaining, 208.902344 MB of memory in use. ENERGY: 3131800 740.3703 2119.5743 1912.7564 125.0081 -206199.0428 17850.9486 0.0000 0.0000 34316.6018 -149133.7833 299.6954 -183450.3851 -149031.1635 299.8960 46.7902 82.6354 557063.5421 0.4404 0.2685 PRESSURE: 3132000 -150.422 -33.2871 16.6895 -33.2876 -260.066 31.2963 16.6892 31.2972 137.217 GPRESSURE: 3132000 -79.6442 -12.8571 19.1304 -99.0963 -236.731 45.4317 116.307 -26.4039 128.832 PRESSAVG: 3132000 -10.4227 -26.3771 -73.8141 -26.377 17.0612 -13.0071 -73.814 -13.0071 -26.7012 GPRESSAVG: 3132000 -9.18836 -24.2205 -76.7337 -25.7846 16.3762 -13.9584 -71.1007 -14.8583 -27.2647 TIMING: 3132000 CPU: 9432.5, 0.00302872/step Wall: 9432.5, 0.00302871/step, 1.57157 hours remaining, 208.902344 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: 3132000 782.0775 2110.3315 1947.5330 117.8219 -206067.0326 17709.9646 0.0000 0.0000 34367.2654 -149032.0387 300.1379 -183399.3041 -148940.3193 300.8912 -91.0905 -62.5145 557778.1228 -6.6876 -6.6923 PRESSURE: 3132200 267.6 -71.181 -345.251 -71.1799 97.0849 7.76728 -345.251 7.76808 315.149 GPRESSURE: 3132200 321.193 -73.8498 -303.925 -121.108 119.953 -10.3895 -466.82 27.5581 353.648 PRESSAVG: 3132200 -4.11524 -23.3353 -44.1725 -23.3353 49.0007 26.6226 -44.1725 26.6226 -2.82394 GPRESSAVG: 3132200 -5.16627 -26.0478 -43.718 -23.2168 50.1983 26.2381 -46.463 26.7289 -3.04105 TIMING: 3132200 CPU: 9433.1, 0.003028/step Wall: 9433.1, 0.003028/step, 1.57102 hours remaining, 208.902344 MB of memory in use. ENERGY: 3132200 750.2290 2099.7125 1912.8422 123.7600 -206639.9351 18168.0916 0.0000 0.0000 34438.2630 -149147.0368 300.7579 -183585.2998 -149047.4536 300.7969 226.6113 264.9316 556440.8636 14.0205 13.9970 LDB: ============= START OF LOAD BALANCING ============== 9436.62 LDB: ============== END OF LOAD BALANCING =============== 9436.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9436.62 LDB: ============= START OF LOAD BALANCING ============== 9436.93 LDB: Largest compute 4774 load 0.031192 is 26.4% of average load 0.118158 LDB: Average compute 0.001737 is 1.5% of average load 0.118158 LDB: TIME 9436.93 LOAD: AVG 0.118158 MAX 0.211236 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.73 MB LDB: TIME 9436.93 LOAD: AVG 0.118158 MAX 0.211236 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.73 MB LDB: TIME 9436.93 LOAD: AVG 0.118158 MAX 0.211236 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.73 MB LDB: ============== END OF LOAD BALANCING =============== 9436.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9436.93 PRESSURE: 3132400 188.248 92.012 -48.2044 92.0137 38.8926 8.98152 -48.2044 8.98207 -53.848 GPRESSURE: 3132400 211 115.184 57.507 125.006 125.268 68.5023 35.9323 -6.99031 -64.1375 PRESSAVG: 3132400 -6.61216 -61.0698 -16.8947 -61.0698 71.9428 -5.74689 -16.8946 -5.74682 -50.2879 GPRESSAVG: 3132400 -6.02407 -61.4956 -14.3017 -62.4302 71.7973 -4.90157 -16.1382 -7.02864 -50.1323 TIMING: 3132400 CPU: 9433.72, 0.00307468/step Wall: 9433.72, 0.00307468/step, 1.59508 hours remaining, 209.550781 MB of memory in use. ENERGY: 3132400 741.7616 2096.0726 1921.7351 114.9576 -206200.0585 17849.1737 0.0000 0.0000 34323.8421 -149152.5157 299.7587 -183476.3579 -149055.8373 300.7927 57.7641 90.7101 558073.8709 5.0142 5.2137 PRESSURE: 3132600 11.5585 -88.1398 -102.085 -88.1407 -96.2248 -80.1938 -102.086 -80.1926 8.4901 GPRESSURE: 3132600 36.4723 -101.706 -211.136 -77.5614 -50.2249 -54.1395 -163.098 -97.0665 42.5627 PRESSAVG: 3132600 11.4458 28.6992 -96.9647 28.6992 32.2162 9.997 -96.9647 9.99679 -57.3723 GPRESSAVG: 3132600 10.5543 29.8246 -99.4458 28.9926 31.5352 10.0039 -98.1402 10.7783 -56.4783 TIMING: 3132600 CPU: 9434.32, 0.00302818/step Wall: 9434.32, 0.00302818/step, 1.57078 hours remaining, 209.550781 MB of memory in use. ENERGY: 3132600 730.5918 2124.6208 1919.3109 98.7184 -206233.9848 17808.8873 0.0000 0.0000 34372.8824 -149178.9732 300.1869 -183551.8556 -149081.1040 300.0426 -25.3921 9.6034 557462.2413 -4.5701 -4.7962 PRESSURE: 3132800 -256.84 -91.145 56.0857 -91.1459 -260.761 -70.9671 56.0857 -70.9692 -188.184 GPRESSURE: 3132800 -225.123 -146.598 70.6852 -23.4151 -245.85 -111.569 14.0103 -96.9272 -130.113 PRESSAVG: 3132800 -36.7896 -20.7638 -93.1818 -20.7638 56.7846 31.7453 -93.1818 31.7453 -6.59619 GPRESSAVG: 3132800 -37.1596 -21.1845 -93.5055 -21.8839 57.1421 30.5683 -92.3159 33.7398 -6.59175 TIMING: 3132800 CPU: 9434.93, 0.00300873/step Wall: 9434.93, 0.00300873/step, 1.56053 hours remaining, 209.550781 MB of memory in use. ENERGY: 3132800 737.3114 2128.5579 1962.3475 109.3958 -205795.5235 17329.7368 0.0000 0.0000 34221.1104 -149307.0637 298.8615 -183528.1742 -149209.8002 299.3197 -235.2616 -200.3623 558366.6941 4.4663 4.4636 PRESSURE: 3133000 -13.4788 98.7775 101.344 98.778 -70.0574 79.1933 101.343 79.1919 -124.211 GPRESSURE: 3133000 32.533 68.2197 26.2585 48.1391 -14.5679 14.4738 27.1669 166.227 -116.168 PRESSAVG: 3133000 17.7826 -15.8367 4.54411 -15.8366 6.87787 34.1459 4.54405 34.1459 -12.8186 GPRESSAVG: 3133000 16.6904 -17.7928 6.47166 -14.8629 6.28736 33.832 4.76941 32.7043 -12.085 TIMING: 3133000 CPU: 9435.53, 0.00302377/step Wall: 9435.53, 0.00302377/step, 1.56816 hours remaining, 209.550781 MB of memory in use. ENERGY: 3133000 759.5266 2071.7314 1932.3251 108.9673 -206118.9477 17796.4648 0.0000 0.0000 34091.2897 -149358.6429 297.7277 -183449.9327 -149261.4935 298.7932 -69.2492 -32.7344 557281.8556 3.9473 3.6309 PRESSURE: 3133200 -92.836 -21.2861 -1.78027 -21.2851 193.066 31.2303 -1.77984 31.2301 -50.1985 GPRESSURE: 3133200 -70.8554 23.7036 -43.1551 -29.2145 258.256 -53.1815 75.8942 108.517 -29.5351 PRESSAVG: 3133200 41.4938 2.13166 -1.46573 2.1317 -53.1753 57.8172 -1.46578 57.8171 20.4155 GPRESSAVG: 3133200 42.0432 2.86996 -2.11989 2.07717 -51.1492 57.2289 -2.6851 57.6357 18.0538 TIMING: 3133200 CPU: 9436.13, 0.00301109/step Wall: 9436.13, 0.00301109/step, 1.56142 hours remaining, 209.550781 MB of memory in use. ENERGY: 3133200 767.2739 2062.5768 1932.3443 107.3468 -206615.2005 18088.0727 0.0000 0.0000 34209.0695 -149448.5166 298.7563 -183657.5861 -149354.0038 298.3973 16.6772 52.6218 556590.8068 2.9113 2.9826 PRESSURE: 3133400 -32.5672 99.4337 -100.344 99.432 -317.056 181.605 -100.344 181.607 202.752 GPRESSURE: 3133400 13.3739 53.1627 -97.7031 36.4367 -263.272 292.616 -129.739 192.007 210.449 PRESSAVG: 3133400 46.6936 -61.5233 30.5383 -61.5233 -52.4422 75.2291 30.5383 75.2291 44.7582 GPRESSAVG: 3133400 47.0818 -60.5045 27.1598 -62.6962 -55.4451 76.9765 32.1391 73.8242 47.2145 TIMING: 3133400 CPU: 9436.73, 0.0030052/step Wall: 9436.73, 0.0030052/step, 1.5582 hours remaining, 209.550781 MB of memory in use. ENERGY: 3133400 738.3720 2074.5117 1943.5934 102.2456 -206473.5021 17733.1713 0.0000 0.0000 34365.1248 -149516.4833 300.1192 -183881.6081 -149419.9341 298.8244 -48.9568 -13.1494 555986.0292 13.0032 12.9504 PRESSURE: 3133600 117.595 121.873 -119.463 121.873 68.1827 -73.5306 -119.463 -73.5316 145.388 GPRESSURE: 3133600 131.719 90.4002 -144.973 104.643 150.592 -51.1244 -139.943 -107.822 157.467 PRESSAVG: 3133600 -26.1728 25.2928 -26.5506 25.2929 -50.735 58.0036 -26.5504 58.0035 53.2346 GPRESSAVG: 3133600 -26.7255 25.9836 -25.6538 26.7683 -49.4416 59.3925 -27.2219 57.9283 52.3963 TIMING: 3133600 CPU: 9437.33, 0.00298448/step Wall: 9437.33, 0.00298448/step, 1.54729 hours remaining, 209.550781 MB of memory in use. ENERGY: 3133600 767.7301 2088.2505 1958.7986 118.1151 -206572.3326 18052.3793 0.0000 0.0000 34168.7507 -149418.3082 298.4042 -183587.0589 -149321.8794 298.8863 110.3884 146.5927 555992.2688 -7.8911 -7.9236 PRESSURE: 3133800 126.093 -38.9177 -136.455 -38.9184 70.0504 144.944 -136.455 144.943 35.9704 GPRESSURE: 3133800 208.644 3.024 -127.626 -71.6551 34.802 142.049 -130.813 155.881 80.8008 PRESSAVG: 3133800 -7.26494 -11.7826 40.1753 -11.7826 27.9496 19.489 40.1753 19.4891 -1.70233 GPRESSAVG: 3133800 -6.15696 -12.0434 43.1453 -11.9402 27.446 17.6572 40.987 22.3459 -2.26164 TIMING: 3133800 CPU: 9437.93, 0.00298278/step Wall: 9437.93, 0.00298278/step, 1.54624 hours remaining, 209.550781 MB of memory in use. ENERGY: 3133800 746.1078 2045.6976 1952.3146 121.0697 -206621.8211 18012.7949 0.0000 0.0000 34400.3526 -149343.4839 300.4268 -183743.8365 -149247.3472 299.0603 77.3711 108.0824 557244.3164 6.3274 6.3425 PRESSURE: 3134000 61.4985 174.245 124.057 174.244 28.6287 54.532 124.057 54.5322 -96.2705 GPRESSURE: 3134000 128.901 123.27 127.457 205.019 -0.87181 42.9051 181.659 58.2353 -40.0274 PRESSAVG: 3134000 -17.3289 15.5071 66.2468 15.507 -27.5274 -28.1554 66.2468 -28.1555 -45.9078 GPRESSAVG: 3134000 -19.5265 15.3978 64.1323 13.2394 -26.2105 -29.5575 67.2386 -28.1632 -44.6462 TIMING: 3134000 CPU: 9438.52, 0.00297361/step Wall: 9438.52, 0.00297361/step, 1.54132 hours remaining, 209.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3134000 765.6478 2111.8708 1929.4174 113.3618 -206560.7334 17877.0417 0.0000 0.0000 34375.6529 -149387.7411 300.2111 -183763.3940 -149291.6263 298.9819 -2.0477 29.3340 555856.1042 -30.2547 -30.1277 PRESSURE: 3134200 169.167 -95.0673 -274.763 -95.0668 -186.27 -193.899 -274.764 -193.899 27.1859 GPRESSURE: 3134200 168.219 -63.6447 -250.957 -31.2493 -111.075 -149.884 -230.029 -151.103 42.8567 PRESSAVG: 3134200 38.0591 1.69859 32.6353 1.69869 -64.8386 -87.3692 32.6353 -87.3692 26.4177 GPRESSAVG: 3134200 39.8252 2.05367 32.6879 3.64941 -65.8381 -83.5871 31.1549 -89.9398 25.5846 TIMING: 3134200 CPU: 9439.11, 0.00294475/step Wall: 9439.11, 0.00294475/step, 1.5262 hours remaining, 209.550781 MB of memory in use. ENERGY: 3134200 749.9473 2100.1677 1960.8677 103.9569 -206394.3805 17734.6875 0.0000 0.0000 34293.0430 -149451.7103 299.4897 -183744.7533 -149361.2514 299.1960 3.3609 33.3336 555437.3137 -0.1206 -0.1428 PRESSURE: 3134400 -161.627 -56.035 -26.3598 -56.0363 138.965 -185.11 -26.362 -185.11 17.5733 GPRESSURE: 3134400 -99.3799 -3.99615 -13.6514 -55.6779 112.303 -178.359 9.03778 -191.175 80.0347 PRESSAVG: 3134400 -15.2721 2.26952 -50.8739 2.26942 66.3856 31.0067 -50.8741 31.0067 -30.4109 GPRESSAVG: 3134400 -15.7579 2.47708 -50.7111 4.39117 67.2185 29.3683 -50.7154 31.5622 -30.6239 TIMING: 3134400 CPU: 9439.71, 0.00298013/step Wall: 9439.71, 0.00298013/step, 1.54437 hours remaining, 209.550781 MB of memory in use. ENERGY: 3134400 728.1437 2104.6732 1933.8451 118.5642 -206309.0055 17901.7130 0.0000 0.0000 34264.3616 -149257.7047 299.2392 -183522.0663 -149159.7220 299.0614 -1.6963 30.9858 556772.9188 6.9009 6.9456 PRESSURE: 3134600 -32.8528 -19.9623 111.893 -19.9631 -156.91 -36.1983 111.893 -36.1987 -222.808 GPRESSURE: 3134600 -10.8572 -43.718 110.429 -63.6353 -156.598 11.0608 22.0923 -20.9878 -139.273 PRESSAVG: 3134600 -28.6517 -26.2568 30.5842 -26.2569 48.7047 -29.0247 30.5842 -29.0247 -19.8547 GPRESSAVG: 3134600 -28.1757 -26.3666 28.6981 -28.7215 47.4023 -31.5584 31.9218 -26.1021 -19.21 TIMING: 3134600 CPU: 9440.3, 0.0029845/step Wall: 9440.3, 0.0029845/step, 1.54647 hours remaining, 209.550781 MB of memory in use. ENERGY: 3134600 760.7520 2112.9683 1928.3024 116.4661 -206189.4515 17674.8771 0.0000 0.0000 34405.5758 -149190.5097 300.4725 -183596.0855 -149099.3164 300.0360 -137.5234 -102.2427 557220.7440 0.0661 0.0056 PRESSURE: 3134800 145.844 36.0544 107.35 36.0548 -309.454 -1.85111 107.351 -1.8505 -407.73 GPRESSURE: 3134800 152.451 21.8257 69.4334 140.466 -313.134 -65.7999 136.802 -10.7921 -325.066 PRESSAVG: 3134800 10.3304 -27.032 7.52712 -27.032 -31.029 -7.15279 7.5271 -7.15276 -33.7721 GPRESSAVG: 3134800 9.84108 -27.2173 8.33626 -24.7291 -30.5342 -6.80223 7.49246 -8.23056 -34.0994 TIMING: 3134800 CPU: 9440.9, 0.00298284/step Wall: 9440.9, 0.00298284/step, 1.54544 hours remaining, 209.550781 MB of memory in use. ENERGY: 3134800 753.2016 2072.0621 1939.9346 122.7803 -205704.2052 17494.4990 0.0000 0.0000 34264.1598 -149057.5678 299.2374 -183321.7277 -148968.0000 299.4876 -190.4469 -161.9163 558029.7676 -18.1569 -18.2642 PRESSURE: 3135000 -30.6742 -85.5785 -8.2214 -85.5764 141.03 -103.457 -8.22239 -103.458 -165.727 GPRESSURE: 3135000 -40.6825 -96.3048 -8.41181 -70.7132 234.973 -81.5252 29.552 -54.9701 -147.882 PRESSAVG: 3135000 48.3476 45.4522 54.1874 45.4523 45.2688 -42.5062 54.1873 -42.5062 -55.1459 GPRESSAVG: 3135000 48.8264 43.076 54.1867 44.6618 45.1571 -41.9959 54.2482 -41.8878 -55.4648 TIMING: 3135000 CPU: 9441.5, 0.00301442/step Wall: 9441.5, 0.00301442/step, 1.56164 hours remaining, 209.550781 MB of memory in use. ENERGY: 3135000 784.1911 2114.3692 1934.4062 122.9810 -206134.9010 17880.8912 0.0000 0.0000 34221.9653 -149076.0971 298.8689 -183298.0624 -148980.2686 300.2774 -18.4570 15.4693 557103.3310 12.8235 12.8395 PRESSURE: 3135200 -27.0525 -35.878 -31.9816 -35.8784 -222.335 -116.104 -31.9818 -116.105 -310.718 GPRESSURE: 3135200 -18.8079 -37.8184 -28.0761 -24.2792 -128.709 -167.432 10.1329 -116.644 -307.884 PRESSAVG: 3135200 19.2608 -37.9489 58.0021 -37.9489 49.4758 18.1905 58.0022 18.1906 -37.3673 GPRESSAVG: 3135200 20.2001 -37.0009 59.9263 -37.1682 49.4011 18.8829 55.286 16.8422 -38.0681 TIMING: 3135200 CPU: 9442.1, 0.00299371/step Wall: 9442.1, 0.00299371/step, 1.55074 hours remaining, 209.550781 MB of memory in use. ENERGY: 3135200 762.1300 2131.5454 1955.6614 113.9188 -206006.4712 17585.7970 0.0000 0.0000 34326.3079 -149131.1106 299.7802 -183457.4185 -149033.0311 299.6449 -186.7018 -151.8003 558286.4223 10.4564 10.5110 PRESSURE: 3135400 127.923 -210.348 -27.3472 -210.347 1.04067 100.263 -27.3472 100.262 13.5961 GPRESSURE: 3135400 213.13 -170.015 -15.487 -240.982 -10.179 181.019 -2.40097 64.5934 28.3537 PRESSAVG: 3135400 -17.0857 -15.5367 23.6193 -15.5368 -23.5261 -32.089 23.6193 -32.089 41.6412 GPRESSAVG: 3135400 -18.6709 -14.7641 21.1599 -16.5868 -22.8131 -29.9503 25.2268 -31.8533 42.3086 TIMING: 3135400 CPU: 9442.7, 0.00300037/step Wall: 9442.7, 0.00300037/step, 1.55402 hours remaining, 209.550781 MB of memory in use. ENERGY: 3135400 736.5422 2117.9591 1938.0937 111.1692 -206067.7166 17832.6139 0.0000 0.0000 34116.7376 -149214.6010 297.9500 -183331.3386 -149121.2748 298.7244 47.5198 77.1016 558326.5123 0.3431 0.2748 PRESSURE: 3135600 76.4013 174.377 1.34348 174.377 -56.2186 182.493 1.34244 182.491 263.208 GPRESSURE: 3135600 170.983 196.828 -228.027 112.831 -37.0011 152.452 137.12 190.359 252.948 PRESSAVG: 3135600 35.6076 9.43386 -47.7504 9.43389 -3.75559 14.6344 -47.7503 14.6344 27.8408 GPRESSAVG: 3135600 35.5473 8.82007 -46.7594 8.69556 -3.58047 13.0957 -47.6312 13.9335 27.5175 TIMING: 3135600 CPU: 9443.31, 0.00302094/step Wall: 9443.31, 0.00302094/step, 1.56451 hours remaining, 209.550781 MB of memory in use. ENERGY: 3135600 742.9820 2082.0120 1928.0254 104.3549 -206202.3765 17919.0902 0.0000 0.0000 34273.6633 -149152.2486 299.3204 -183425.9119 -149053.8512 299.8080 94.4636 128.9765 557906.6288 19.8976 19.8281 PRESSURE: 3135800 78.8324 53.3352 23.9198 53.3345 -63.4149 -71.22 23.9189 -71.2207 -146.833 GPRESSURE: 3135800 121.019 -14.5862 -40.9201 4.31335 -16.4931 -56.386 51.5247 -88.5047 -138.999 PRESSAVG: 3135800 -13.5322 -4.42281 11.1253 -4.4228 -47.4615 29.6667 11.1253 29.6666 56.0507 GPRESSAVG: 3135800 -13.9415 -4.13594 10.1883 -1.29981 -48.3041 31.6333 9.97111 27.8365 57.0522 TIMING: 3135800 CPU: 9443.91, 0.0030292/step Wall: 9443.91, 0.0030292/step, 1.56862 hours remaining, 209.550781 MB of memory in use. ENERGY: 3135800 692.6450 2086.2540 1950.4265 134.9680 -205894.6161 17779.6154 0.0000 0.0000 34184.6696 -149066.0377 298.5432 -183250.7073 -148968.7745 299.2788 -43.8053 -11.4910 558890.4677 -1.6477 -1.7311 PRESSURE: 3136000 292.501 -23.5275 -214.742 -23.5254 -140.827 -77.7559 -214.741 -77.7562 -125.506 GPRESSURE: 3136000 277.928 -87.237 -254.96 60.9027 -93.9228 -111.195 -237.071 -68.39 -67.3043 PRESSAVG: 3136000 29.9743 -28.3772 0.984489 -28.3771 22.3924 6.59319 0.984569 6.59329 -50.6684 GPRESSAVG: 3136000 30.5785 -28.4482 2.99567 -28.3784 22.8813 6.94054 0.396848 9.01666 -51.6912 TIMING: 3136000 CPU: 9444.52, 0.00303458/step Wall: 9444.52, 0.00303458/step, 1.57124 hours remaining, 209.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3136000 781.5063 2122.9028 1912.0562 103.0101 -205862.8321 17773.7124 0.0000 0.0000 34287.0909 -148882.5533 299.4377 -183169.6442 -148798.2686 299.9372 8.7225 38.9002 556876.0411 0.5661 0.5895 PRESSURE: 3136200 -85.9165 269.282 23.5881 269.284 -3.72926 166.382 23.5877 166.383 -197.961 GPRESSURE: 3136200 -94.8482 309.35 63.3946 159.795 51.2886 112.34 -16.3385 156.783 -139.482 PRESSAVG: 3136200 -51.712 -22.121 42.6153 -22.121 56.4612 -14.9882 42.6152 -14.9883 -17.1862 GPRESSAVG: 3136200 -50.8524 -20.0265 41.679 -23.7056 56.1893 -16.2146 44.3845 -15.2855 -17.8013 TIMING: 3136200 CPU: 9445.12, 0.00300697/step Wall: 9445.12, 0.00300697/step, 1.55677 hours remaining, 209.550781 MB of memory in use. ENERGY: 3136200 715.5172 2147.5080 1913.0929 122.3249 -205919.7713 17707.9634 0.0000 0.0000 34362.5893 -148950.7757 300.0970 -183313.3649 -148856.2658 300.5087 -95.8688 -61.0140 559006.6499 -4.1457 -4.1548 LDB: ============= START OF LOAD BALANCING ============== 9448.64 LDB: ============== END OF LOAD BALANCING =============== 9448.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9448.64 LDB: ============= START OF LOAD BALANCING ============== 9448.94 LDB: Largest compute 4802 load 0.030706 is 26.0% of average load 0.118047 LDB: Average compute 0.001739 is 1.5% of average load 0.118047 LDB: TIME 9448.94 LOAD: AVG 0.118047 MAX 0.209484 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.914 MB LDB: TIME 9448.94 LOAD: AVG 0.118047 MAX 0.209484 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 212.117 MB LDB: TIME 9448.94 LOAD: AVG 0.118047 MAX 0.209484 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 212.117 MB LDB: ============== END OF LOAD BALANCING =============== 9448.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9448.95 PRESSURE: 3136400 -84.0797 -99.0117 16.2531 -99.01 -76.7729 153.23 16.2523 153.231 -59.9068 GPRESSURE: 3136400 -71.2186 -117.661 57.1538 -170.72 -59.5552 85.4536 39.1674 164.888 -2.22142 PRESSAVG: 3136400 -0.314627 19.774 16.1987 19.774 46.5109 76.5101 16.1988 76.51 -53.5462 GPRESSAVG: 3136400 -1.52829 16.2708 15.4768 21.857 46.8636 74.1812 17.3621 76.5241 -52.8039 TIMING: 3136400 CPU: 9445.73, 0.00304582/step Wall: 9445.73, 0.00304582/step, 1.57672 hours remaining, 209.863281 MB of memory in use. ENERGY: 3136400 735.9948 2145.1211 1916.2258 117.6274 -205583.7364 17484.8660 0.0000 0.0000 34435.6652 -148748.2361 300.7352 -183183.9013 -148658.1662 300.4449 -73.5865 -44.3317 558483.9613 -2.4500 -2.4895 PRESSURE: 3136600 102.043 307.658 143.097 307.659 30.3854 126.824 143.096 126.824 -52.9335 GPRESSURE: 3136600 147.196 253.092 190.256 325.749 82.9156 162.166 114.274 104.636 -60.9041 PRESSAVG: 3136600 56.3539 1.9446 4.38931 1.94467 -15.2162 -3.74204 4.3894 -3.742 -34.361 GPRESSAVG: 3136600 57.1588 3.3555 3.06494 1.46358 -16.8835 -1.10152 2.02442 -2.90866 -34.1179 TIMING: 3136600 CPU: 9446.33, 0.00297973/step Wall: 9446.33, 0.00297973/step, 1.54234 hours remaining, 210.066406 MB of memory in use. ENERGY: 3136600 716.1600 2113.6412 1920.8650 107.8107 -205694.6849 17639.6561 0.0000 0.0000 34553.2336 -148643.3182 301.7620 -183196.5518 -148545.0999 300.5013 26.4983 56.4026 558152.3333 2.2589 2.0525 PRESSURE: 3136800 -109.514 83.9375 68.2708 83.9382 -51.6977 -47.6509 68.2717 -47.6509 16.8802 GPRESSURE: 3136800 -55.6508 -22.6324 69.7675 113.617 -28.5885 44.9149 24.0583 -121.299 38.6179 PRESSAVG: 3136800 13.5572 58.0073 -31.0864 58.0074 -42.1595 53.052 -31.0863 53.0519 8.39629 GPRESSAVG: 3136800 12.5095 59.2131 -30.7092 57.909 -40.5711 53.211 -30.606 51.0893 7.84588 TIMING: 3136800 CPU: 9446.92, 0.00299138/step Wall: 9446.92, 0.00299138/step, 1.54821 hours remaining, 210.066406 MB of memory in use. ENERGY: 3136800 689.9468 2105.4191 1922.3328 124.6604 -205325.5400 17388.7231 0.0000 0.0000 34518.8911 -148575.5667 301.4621 -183094.4577 -148465.9442 300.9947 -48.1105 -15.2071 557648.7884 -6.7353 -6.7386 PRESSURE: 3137000 -27.7103 43.1646 -104.843 43.1662 139.994 -67.0232 -104.843 -67.0233 124.385 GPRESSURE: 3137000 38.4949 67.1185 -32.4001 56.7271 181.811 -48.0647 -48.5455 -52.8508 114.216 PRESSAVG: 3137000 13.6244 22.1276 -18.1956 22.1276 -37.3044 -3.46556 -18.1957 -3.46553 -12.009 GPRESSAVG: 3137000 13.6522 23.0543 -17.3021 22.6174 -38.161 -3.7568 -18.9632 -4.3115 -11.3327 TIMING: 3137000 CPU: 9447.53, 0.00302461/step Wall: 9447.53, 0.00302461/step, 1.56523 hours remaining, 210.066406 MB of memory in use. ENERGY: 3137000 710.3658 2098.4180 1924.1037 119.3470 -205770.0708 17751.2679 0.0000 0.0000 34494.5195 -148672.0489 301.2492 -183166.5684 -148576.8233 301.0808 78.8898 111.5073 556823.8167 -11.8963 -11.9472 PRESSURE: 3137200 262.539 -77.782 38.1356 -77.7811 -225.02 -144.768 38.1372 -144.769 127.188 GPRESSURE: 3137200 322.352 -34.8547 6.64712 -21.6498 -127.811 -181.185 84.8582 -184.156 71.033 PRESSAVG: 3137200 68.6982 16.6156 -14.048 16.6156 -14.1844 -18.4116 -14.048 -18.4116 -27.0141 GPRESSAVG: 3137200 69.987 17.0354 -15.2254 14.2646 -14.7208 -18.1391 -11.8618 -17.1062 -27.2442 TIMING: 3137200 CPU: 9448.14, 0.00305065/step Wall: 9448.14, 0.00305065/step, 1.57854 hours remaining, 210.066406 MB of memory in use. ENERGY: 3137200 742.8005 2064.9963 1932.6075 119.0310 -205924.0862 17910.2648 0.0000 0.0000 34253.3507 -148901.0353 299.1430 -183154.3860 -148808.8335 300.7227 54.9023 88.5246 556863.0714 9.1666 9.3407 PRESSURE: 3137400 -113.956 -25.2707 -7.6471 -25.2694 66.1299 84.5334 -7.64922 84.5333 -220.252 GPRESSURE: 3137400 -63.2383 64.5407 45.8218 -146.609 75.7704 51.6996 -24.0521 97.0697 -186.504 PRESSAVG: 3137400 45.2238 18.0904 -42.7601 18.0904 -56.3162 -44.0398 -42.7602 -44.0398 -34.3683 GPRESSAVG: 3137400 43.8859 17.3096 -41.5177 20.1392 -55.8074 -44.6518 -46.1762 -43.924 -33.8561 TIMING: 3137400 CPU: 9448.75, 0.00305455/step Wall: 9448.75, 0.00305455/step, 1.58039 hours remaining, 210.066406 MB of memory in use. ENERGY: 3137400 740.8626 2046.6534 1921.4853 115.0618 -205626.0088 17541.3265 0.0000 0.0000 34104.1362 -149156.4830 297.8399 -183260.6192 -149053.2543 299.7371 -89.3594 -57.9905 556569.7218 -15.1536 -15.2592 PRESSURE: 3137600 78.6842 3.37104 -90.9718 3.37002 -122.926 9.07509 -90.9721 9.07537 -249.497 GPRESSURE: 3137600 39.0997 118.354 -99.0626 -27.2449 -87.7188 22.9884 -110.358 93.5043 -136.413 PRESSAVG: 3137600 -1.00976 4.81673 -35.1932 4.81677 110.197 -3.84417 -35.1932 -3.84418 -95.3215 GPRESSAVG: 3137600 -0.370974 4.55548 -35.8103 5.13629 109.536 -4.46399 -33.123 -4.67097 -95.7302 TIMING: 3137600 CPU: 9449.35, 0.00300663/step Wall: 9449.35, 0.00300663/step, 1.55543 hours remaining, 210.066406 MB of memory in use. ENERGY: 3137600 744.8050 2015.7578 1927.5075 127.2386 -205983.0970 17614.4193 0.0000 0.0000 34287.1480 -149266.2207 299.4382 -183553.3687 -149159.8367 299.5198 -97.9130 -61.6774 556412.4042 4.6220 4.4784 PRESSURE: 3137800 -52.8629 98.6859 -79.7336 98.6862 -52.691 -79.0133 -79.7345 -79.0137 -12.5051 GPRESSURE: 3137800 21.0509 66.618 -118.437 148.279 -19.1958 -6.99552 -114.848 -158.939 -21.6238 PRESSAVG: 3137800 55.967 23.3278 -62.4752 23.3278 51.3043 20.175 -62.4753 20.175 -89.5767 GPRESSAVG: 3137800 56.1045 22.8431 -61.8873 22.5999 50.9967 19.6477 -63.7437 20.8681 -89.5885 TIMING: 3137800 CPU: 9449.95, 0.00297328/step Wall: 9449.95, 0.00297328/step, 1.53801 hours remaining, 210.066406 MB of memory in use. ENERGY: 3137800 758.3555 2075.8830 1896.0393 106.2314 -206194.6331 17774.4428 0.0000 0.0000 34203.3292 -149380.3519 298.7062 -183583.6810 -149280.7452 298.7423 -39.3530 -6.5896 557108.3330 5.8982 5.8376 PRESSURE: 3138000 -21.9985 -27.4363 -212.25 -27.4374 179.815 -27.8697 -212.249 -27.87 63.0323 GPRESSURE: 3138000 21.4925 11.4339 -94.8012 -82.7325 203.478 -17.3589 -283.082 -10.27 84.5635 PRESSAVG: 3138000 36.4935 2.918 -67.7449 2.91806 -42.5601 -15.913 -67.7449 -15.9131 5.97237 GPRESSAVG: 3138000 36.639 2.41664 -68.596 4.03307 -42.6998 -14.181 -65.8458 -17.2714 5.60167 TIMING: 3138000 CPU: 9450.54, 0.0029848/step Wall: 9450.54, 0.0029848/step, 1.54381 hours remaining, 210.066406 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: 3138000 748.4019 2112.4249 1891.6818 122.4641 -206333.0921 18032.7290 0.0000 0.0000 34104.9364 -149320.4540 297.8469 -183425.3903 -149223.3623 299.6013 73.6164 103.1780 556619.8261 -0.0314 -0.1531 PRESSURE: 3138200 -118.955 84.3744 -39.7484 84.3743 -167.812 3.95733 -39.7476 3.95785 -75.2924 GPRESSURE: 3138200 -95.5041 43.4846 -49.2296 101.532 -156.505 41.8818 -98.6221 -24.0602 -22.844 PRESSAVG: 3138200 -9.87375 21.7461 -45.8244 21.746 28.2282 -20.6667 -45.8244 -20.6666 9.81423 GPRESSAVG: 3138200 -11.2091 21.4784 -44.6515 20.9215 28.7764 -22.8183 -46.0639 -19.0761 10.9552 TIMING: 3138200 CPU: 9451.14, 0.00297648/step Wall: 9451.14, 0.00297648/step, 1.53934 hours remaining, 210.066406 MB of memory in use. ENERGY: 3138200 730.9005 2119.2199 1932.9352 118.4963 -206016.4728 17604.8150 0.0000 0.0000 34213.1655 -149296.9403 298.7921 -183510.1058 -149194.1171 299.1361 -120.6865 -91.6178 557677.7527 9.3896 9.5075 PRESSURE: 3138400 183.699 -75.2728 53.4355 -75.2727 115.146 -71.8811 53.4358 -71.8786 -101.478 GPRESSURE: 3138400 241.301 -139.898 -43.8115 3.46971 149.592 -65.2499 29.2185 -94.1133 -82.6013 PRESSAVG: 3138400 21.3739 -31.5933 -19.3744 -31.5934 -100.412 -4.19162 -19.3744 -4.19155 57.4843 GPRESSAVG: 3138400 22.6151 -30.6108 -19.8925 -30.9685 -100.835 -4.53422 -22.5614 -5.08649 56.7855 TIMING: 3138400 CPU: 9451.74, 0.00300045/step Wall: 9451.74, 0.00300045/step, 1.55157 hours remaining, 210.066406 MB of memory in use. ENERGY: 3138400 776.6054 2110.5067 1936.7807 124.2737 -206412.4395 17940.3810 0.0000 0.0000 34275.9374 -149247.9545 299.3403 -183523.8920 -149159.3740 299.2464 65.7891 102.7639 556827.8267 -7.1847 -7.1448 PRESSURE: 3138600 24.5276 10.7723 -16.0308 10.7712 84.3984 1.42379 -16.0307 1.42439 -300.93 GPRESSURE: 3138600 1.26098 -57.6918 -89.2576 66.1641 103.819 13.0993 -2.86439 65.6463 -204.113 PRESSAVG: 3138600 0.693669 22.9171 6.52116 22.9171 -7.75141 3.64586 6.52119 3.64572 -18.4263 GPRESSAVG: 3138600 0.0959242 21.5584 6.13601 23.3922 -7.33611 6.14257 9.86488 2.61421 -17.5545 TIMING: 3138600 CPU: 9452.34, 0.00300814/step Wall: 9452.34, 0.00300814/step, 1.55537 hours remaining, 210.066406 MB of memory in use. ENERGY: 3138600 744.2280 2117.4678 1913.8902 104.8271 -205979.5366 17581.2221 0.0000 0.0000 34244.0148 -149273.8866 299.0615 -183517.9014 -149178.2339 299.6530 -64.0013 -33.0108 556796.5813 -8.4947 -8.2649 PRESSURE: 3138800 12.9736 30.2318 -65.4774 30.2313 -238.643 -166.715 -65.4765 -166.715 -199.679 GPRESSURE: 3138800 48.684 72.0128 -18.1159 -24.3161 -193.636 -167.91 -120.456 -177.187 -181.488 PRESSAVG: 3138800 -21.3867 -32.4696 -16.673 -32.4697 -7.57582 -19.2681 -16.6731 -19.268 35.8696 GPRESSAVG: 3138800 -20.9122 -30.98 -16.7429 -35.0348 -7.18243 -20.7019 -18.0272 -18.0344 35.3552 TIMING: 3138800 CPU: 9452.94, 0.00300995/step Wall: 9452.94, 0.00300995/step, 1.55614 hours remaining, 210.066406 MB of memory in use. ENERGY: 3138800 756.7944 2156.6602 1944.4052 105.9781 -205831.8069 17580.7000 0.0000 0.0000 34144.5754 -149142.6936 298.1931 -183287.2690 -149047.6817 299.5331 -141.7829 -108.8135 557208.0247 2.3023 2.4202 PRESSURE: 3139000 -147.148 64.2064 -53.5042 64.2068 -359.389 73.3365 -53.505 73.3374 -3.67708 GPRESSURE: 3139000 -106.128 -2.38826 41.2005 68.6917 -354.239 124.012 -71.9258 -4.29935 40.6081 PRESSAVG: 3139000 -28.5988 23.0878 -56.3695 23.0877 24.7343 12.1641 -56.3695 12.1641 68.2087 GPRESSAVG: 3139000 -29.424 24.4391 -56.2707 23.7455 24.0883 12.1372 -56.4856 11.788 68.923 TIMING: 3139000 CPU: 9453.54, 0.00297099/step Wall: 9453.54, 0.00297099/step, 1.53584 hours remaining, 210.066406 MB of memory in use. ENERGY: 3139000 765.5971 2091.2870 1974.3129 127.3216 -205867.6223 17453.9712 0.0000 0.0000 34286.8736 -149168.2588 299.4358 -183455.1324 -149072.8969 299.8176 -170.0714 -139.9196 557372.6580 21.4481 21.1958 PRESSURE: 3139200 75.1479 4.34139 -49.1803 4.3406 149.491 -25.8104 -49.1797 -25.8113 48.8219 GPRESSURE: 3139200 83.7668 33.6607 8.12961 25.5969 130.735 -105.066 -105.188 15.6763 157.506 PRESSAVG: 3139200 -56.2063 11.1638 26.7956 11.1638 21.4333 14.9475 26.7957 14.9475 74.9592 GPRESSAVG: 3139200 -56.1749 10.3307 28.6545 10.7851 21.689 13.9346 26.9012 16.1893 74.9671 TIMING: 3139200 CPU: 9454.14, 0.00299795/step Wall: 9454.14, 0.00299795/step, 1.54961 hours remaining, 210.066406 MB of memory in use. ENERGY: 3139200 797.3560 2105.6960 1944.8212 104.0256 -206207.7088 17934.5332 0.0000 0.0000 34172.7520 -149148.5249 298.4391 -183321.2768 -149064.1580 300.1999 91.1536 124.0028 556009.5590 13.3954 13.4937 PRESSURE: 3139400 -126.418 -60.198 -8.92834 -60.1974 -119.111 38.3564 -8.92786 38.3565 43.9043 GPRESSURE: 3139400 -42.1615 -32.9023 -70.1133 -11.0323 -109.41 78.6724 -37.7257 -41.6641 51.1023 PRESSAVG: 3139400 -59.3672 13.1653 -13.1821 13.1654 102.907 -16.7109 -13.1821 -16.7108 -43.2975 GPRESSAVG: 3139400 -59.5765 14.1068 -13.1639 11.5569 103.198 -16.8913 -12.2955 -16.7734 -43.4602 TIMING: 3139400 CPU: 9454.74, 0.00304347/step Wall: 9454.74, 0.00304347/step, 1.57297 hours remaining, 210.066406 MB of memory in use. ENERGY: 3139400 749.5787 2133.3231 1934.1288 114.4752 -205964.0117 17604.2227 0.0000 0.0000 34319.6746 -149108.6086 299.7223 -183428.2832 -149015.4311 299.7322 -67.2084 -33.4899 556497.5760 0.0808 0.0536 PRESSURE: 3139600 -147.028 -60.5036 22.5686 -60.5043 242.624 43.2808 22.5679 43.2811 111.011 GPRESSURE: 3139600 -169.108 -27.7121 89.7523 -94.1372 303.414 90.3811 -2.42125 22.3685 158.815 PRESSAVG: 3139600 -22.1152 24.8117 18.5329 24.8117 35.7797 -37.2582 18.5329 -37.2584 -18.9851 GPRESSAVG: 3139600 -21.1419 23.0969 17.5617 25.914 35.0646 -36.5967 17.9819 -38.6013 -18.7891 TIMING: 3139600 CPU: 9455.35, 0.00300561/step Wall: 9455.35, 0.00300561/step, 1.55323 hours remaining, 210.066406 MB of memory in use. ENERGY: 3139600 737.0749 2130.2092 1927.9902 114.9337 -206120.5447 17768.7529 0.0000 0.0000 34274.6994 -149166.8845 299.3295 -183441.5839 -149069.1706 299.8954 68.8690 97.7070 557074.4256 -1.7735 -1.6221 PRESSURE: 3139800 60.9592 56.2902 -4.64016 56.2888 67.6587 37.006 -4.63989 37.0053 -60.5504 GPRESSURE: 3139800 64.882 69.917 16.8471 23.641 118.072 31.0057 -51.8554 27.0769 -10.2262 PRESSAVG: 3139800 31.9448 -3.61065 31.4835 -3.61065 -19.6802 -4.36154 31.4834 -4.36157 11.1131 GPRESSAVG: 3139800 31.9922 -1.21683 34.0774 -3.60765 -18.9917 -4.68071 28.6606 -3.332 10.4491 TIMING: 3139800 CPU: 9455.95, 0.00302192/step Wall: 9455.95, 0.00302192/step, 1.5615 hours remaining, 210.066406 MB of memory in use. ENERGY: 3139800 747.2470 2162.4738 1942.0218 105.0124 -206046.5258 17733.2905 0.0000 0.0000 34351.4578 -149005.0225 299.9998 -183356.4803 -148906.9131 300.0617 22.6892 57.5759 557087.9828 7.7926 7.8165 PRESSURE: 3140000 104.81 35.7237 32.9475 35.7235 -245.671 -91.4789 32.9472 -91.4787 -116.555 GPRESSURE: 3140000 106.534 56.318 -20.8682 78.7824 -198.5 -27.4808 26.0454 -88.3287 -66.8796 PRESSAVG: 3140000 -67.8245 30.9471 -37.3156 30.9471 62.9115 -33.0241 -37.3154 -33.0241 26.999 GPRESSAVG: 3140000 -68.3066 28.439 -41.3198 32.4145 64.1941 -32.7883 -35.742 -33.8061 26.9605 TIMING: 3140000 CPU: 9456.56, 0.00303326/step Wall: 9456.56, 0.00303326/step, 1.56719 hours remaining, 210.066406 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: 3140000 731.0483 2076.1114 1917.9047 117.2405 -206060.6876 17762.2160 0.0000 0.0000 34339.9098 -149116.2569 299.8990 -183456.1667 -149011.9501 299.9360 -85.8052 -52.9483 557100.5919 7.3620 7.6160 PRESSURE: 3140200 -246.881 -109.452 135.057 -109.453 -195.077 190.303 135.055 190.305 -163.502 GPRESSURE: 3140200 -260.021 -81.1116 12.6037 -106.383 -127.114 142.432 191.758 289.662 -117.704 PRESSAVG: 3140200 17.4642 11.3971 42.0065 11.397 5.96402 -47.3289 42.0064 -47.3289 10.932 GPRESSAVG: 3140200 17.5553 13.43 43.0879 12.7303 4.48075 -48.1367 43.4219 -47.1579 12.0165 TIMING: 3140200 CPU: 9457.17, 0.00304728/step Wall: 9457.17, 0.00304728/step, 1.57426 hours remaining, 210.066406 MB of memory in use. ENERGY: 3140200 747.1719 2078.2112 1941.6083 105.6318 -206023.2560 17433.0121 0.0000 0.0000 34394.3644 -149323.2564 300.3745 -183717.6207 -149220.2074 299.4098 -201.8201 -168.2797 556219.5390 11.4534 11.3508 LDB: ============= START OF LOAD BALANCING ============== 9460.69 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9460.69 LDB: =============== DONE WITH MIGRATION ================ 9460.69 LDB: ============= START OF LOAD BALANCING ============== 9460.99 LDB: Largest compute 4802 load 0.032026 is 27.1% of average load 0.118135 LDB: Average compute 0.001734 is 1.5% of average load 0.118135 LDB: TIME 9460.99 LOAD: AVG 0.118135 MAX 0.20932 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.551 MB LDB: TIME 9460.99 LOAD: AVG 0.118135 MAX 0.20932 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.754 MB LDB: TIME 9460.99 LOAD: AVG 0.118135 MAX 0.20932 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.754 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9460.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9461 PRESSURE: 3140400 -104.863 58.989 -80.3326 58.9882 24.4664 -123.736 -80.3329 -123.736 151.411 GPRESSURE: 3140400 37.7923 88.52 -70.5909 25.8523 24.2824 -238.627 -139.793 -98.8133 103.954 PRESSAVG: 3140400 42.161 6.18851 37.416 6.1885 -59.7387 -18.4346 37.416 -18.4346 -7.61957 GPRESSAVG: 3140400 42.2544 4.52711 38.2987 6.5582 -59.376 -18.8656 36.3307 -17.569 -8.40247 TIMING: 3140400 CPU: 9457.78, 0.0030711/step Wall: 9457.78, 0.0030711/step, 1.58639 hours remaining, 209.921875 MB of memory in use. ENERGY: 3140400 764.9948 2132.0990 1943.6431 102.8472 -206533.0011 17974.5798 0.0000 0.0000 34224.6003 -149390.2369 298.8919 -183614.8372 -149304.6078 299.1121 23.6713 55.3428 556956.9980 -8.3991 -8.5080 PRESSURE: 3140600 -183.062 95.2985 18.619 95.2984 -4.79012 223.717 18.6186 223.715 -69.0293 GPRESSURE: 3140600 -142.077 94.8652 48.3629 146.611 -12.7614 244.678 -15.5715 153.46 -3.6081 PRESSAVG: 3140600 -52.7054 54.5975 2.06949 54.5974 -40.0287 -16.2272 2.06941 -16.2272 77.9907 GPRESSAVG: 3140600 -51.9838 55.7178 0.850577 54.8715 -40.4468 -17.4299 3.19588 -15.7857 77.608 TIMING: 3140600 CPU: 9458.38, 0.00299186/step Wall: 9458.38, 0.00299186/step, 1.54529 hours remaining, 209.921875 MB of memory in use. ENERGY: 3140600 719.7412 2036.3356 1929.4759 108.0716 -206246.5505 17710.9902 0.0000 0.0000 34212.2828 -149529.6532 298.7844 -183741.9359 -149428.9183 298.6438 -85.6272 -52.8156 557049.8310 -4.9145 -4.9409 PRESSURE: 3140800 -36.4073 8.34345 -21.9974 8.34367 -73.3483 -125.591 -21.9972 -125.589 72.3042 GPRESSURE: 3140800 -28.2873 -43.4021 25.4729 7.35557 6.47466 -146.278 -52.3667 -35.2722 83.1598 PRESSAVG: 3140800 -0.0244004 5.34093 6.77509 5.34086 -58.394 -45.1413 6.77499 -45.1414 68.3524 GPRESSAVG: 3140800 -1.56938 4.4627 8.00644 2.30449 -57.3929 -43.3631 5.84809 -44.9907 68.3798 TIMING: 3140800 CPU: 9458.99, 0.00303734/step Wall: 9458.99, 0.00303734/step, 1.56862 hours remaining, 209.921875 MB of memory in use. ENERGY: 3140800 747.4678 2080.0789 1909.3832 106.5528 -206170.2923 17719.0196 0.0000 0.0000 34017.8716 -149589.9183 297.0865 -183607.7899 -149495.6454 298.1259 -12.4838 20.4491 557527.5540 3.3113 3.1392 PRESSURE: 3141000 154.617 -12.5822 47.8463 -12.5816 -12.4996 51.5713 47.847 51.5706 -291.72 GPRESSURE: 3141000 168.63 104.074 -44.087 17.117 -6.23975 145.913 96.3428 97.7998 -202.959 PRESSAVG: 3141000 38.3938 18.2203 17.9577 18.2204 6.35225 -20.3288 17.9577 -20.3288 -14.982 GPRESSAVG: 3141000 38.0682 19.9903 17.9299 18.4345 6.58826 -20.2437 18.8325 -20.4931 -15.3175 TIMING: 3141000 CPU: 9459.59, 0.00303761/step Wall: 9459.59, 0.00303761/step, 1.56859 hours remaining, 209.921875 MB of memory in use. ENERGY: 3141000 733.2232 2052.2693 1922.8684 108.3483 -206427.6427 17652.3384 0.0000 0.0000 34369.9416 -149588.6534 300.1612 -183958.5950 -149490.4458 298.0949 -49.8675 -13.5229 556560.1717 9.9213 9.7797 PRESSURE: 3141200 96.9668 -0.684892 -4.67215 -0.684443 282.247 -151.354 -4.67317 -151.355 152.93 GPRESSURE: 3141200 130.591 -16.4418 17.7337 34.3748 291.296 -128.774 -62.501 -53.641 207.711 PRESSAVG: 3141200 -40.3579 23.1081 -7.01822 23.108 -10.5763 -8.19067 -7.01817 -8.19059 70.979 GPRESSAVG: 3141200 -38.5177 20.6515 -8.25507 24.986 -12.9207 -8.44455 -7.71798 -8.00886 71.8364 TIMING: 3141200 CPU: 9460.2, 0.0030163/step Wall: 9460.2, 0.0030163/step, 1.55742 hours remaining, 209.921875 MB of memory in use. ENERGY: 3141200 725.3495 2040.6755 1916.3222 118.1038 -206645.9171 18124.1241 0.0000 0.0000 34307.3189 -149414.0232 299.6143 -183721.3421 -149319.3466 298.1275 177.3814 209.8659 557613.1945 6.6816 6.7993 PRESSURE: 3141400 -174.633 -84.7853 110.055 -84.7852 -288.173 14.3284 110.055 14.3284 42.9734 GPRESSURE: 3141400 -116.977 -40.5042 129.476 -93.8757 -285.576 1.46281 3.66173 61.4104 90.4101 PRESSAVG: 3141400 0.121545 10.9164 -16.9863 10.9163 -14.7617 -15.7112 -16.9863 -15.7112 38.4429 GPRESSAVG: 3141400 -0.750878 13.2715 -16.5992 8.79638 -13.0768 -16.3013 -17.563 -15.8503 37.4873 TIMING: 3141400 CPU: 9460.8, 0.00301856/step Wall: 9460.8, 0.00301856/step, 1.55842 hours remaining, 209.921875 MB of memory in use. ENERGY: 3141400 725.0247 2038.7389 1938.8210 112.1811 -205922.7376 17559.1856 0.0000 0.0000 34157.2093 -149391.5770 298.3034 -183548.7863 -149302.6312 299.1492 -139.9440 -104.0476 557737.1728 7.9343 7.8865 PRESSURE: 3141600 63.8745 -71.9444 -10.9082 -71.9453 -135.575 25.3105 -10.9083 25.3117 113.756 GPRESSURE: 3141600 99.949 -72.2391 -17.3493 -22.0526 -98.543 40.7804 14.4559 -6.48207 128.591 PRESSAVG: 3141600 66.4321 -34.1081 29.5461 -34.1081 -181.821 72.4893 29.546 72.4893 104.549 GPRESSAVG: 3141600 65.8513 -35.8236 29.9336 -34.6843 -181.808 73.1831 28.3145 70.9279 104.775 TIMING: 3141600 CPU: 9461.4, 0.00297861/step Wall: 9461.4, 0.00297861/step, 1.53762 hours remaining, 210.125000 MB of memory in use. ENERGY: 3141600 743.8311 2075.0804 1933.5957 116.1129 -206150.8720 17658.6666 0.0000 0.0000 34251.3957 -149372.1897 299.1260 -183623.5853 -149275.3091 298.6418 14.0185 43.3322 554883.0062 -3.6135 -3.7273 PRESSURE: 3141800 10.2503 124.774 -47.0494 124.773 264.677 -63.128 -47.0501 -63.1279 -63.8305 GPRESSURE: 3141800 44.2039 119.055 11.8231 140.396 305.83 -53.8498 -67.0015 -43.7728 -39.3209 PRESSAVG: 3141800 55.1114 -40.6977 -31.2058 -40.6977 -69.8896 3.08073 -31.2059 3.08059 28.0247 GPRESSAVG: 3141800 55.0721 -39.345 -31.7386 -39.7181 -69.6976 2.32115 -29.9705 4.31972 28.3028 TIMING: 3141800 CPU: 9462, 0.00303554/step Wall: 9462, 0.00303554/step, 1.56684 hours remaining, 210.125000 MB of memory in use. ENERGY: 3141800 736.0438 2075.9748 1937.3768 100.8688 -206123.8044 17751.9841 0.0000 0.0000 34174.5302 -149347.0261 298.4547 -183521.5563 -149248.7830 298.7695 70.3656 103.5708 557545.2680 4.4155 4.5591 PRESSURE: 3142000 -35.2686 -20.932 -8.50783 -20.9316 67.3199 129.986 -8.50684 129.986 -53.0739 GPRESSURE: 3142000 3.04426 -38.4598 -12.6844 -6.06523 178.254 146.989 48.2647 66.7038 -98.6244 PRESSAVG: 3142000 9.42107 -1.78715 -8.84429 -1.78705 -9.99974 -5.88799 -8.84431 -5.88791 10.9674 GPRESSAVG: 3142000 10.6134 -2.10239 -10.2394 -0.321881 -10.1126 -6.48211 -8.89828 -7.30972 9.80224 TIMING: 3142000 CPU: 9462.6, 0.00300503/step Wall: 9462.6, 0.00300503/step, 1.55093 hours remaining, 210.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3142000 754.4097 2078.1964 1944.0448 114.3334 -206188.9219 17765.0121 0.0000 0.0000 34125.7260 -149407.1996 298.0285 -183532.9256 -149311.5787 298.8171 -7.0076 27.5580 556606.5455 3.4629 3.4344 PRESSURE: 3142200 186.532 212.31 18.4509 212.308 -47.2104 71.2303 18.4514 71.231 30.003 GPRESSURE: 3142200 177.143 210.261 -59.631 122.675 9.62785 27.9394 103.058 126.682 73.0289 PRESSAVG: 3142200 -59.4332 -12.5564 -0.051919 -12.5564 7.66484 20.1883 -0.0518132 20.1883 60.1269 GPRESSAVG: 3142200 -61.7312 -13.2135 1.60231 -14.1406 7.61717 21.0256 0.365096 21.8839 61.9612 TIMING: 3142200 CPU: 9463.21, 0.00301562/step Wall: 9463.21, 0.00301562/step, 1.55623 hours remaining, 210.269531 MB of memory in use. ENERGY: 3142200 726.5436 2069.3880 1941.1292 116.5814 -206116.9284 17782.0932 0.0000 0.0000 34199.1510 -149282.0421 298.6697 -183481.1930 -149184.2987 298.6601 56.4415 86.6000 557082.9328 2.7862 2.6157 PRESSURE: 3142400 28.0448 -78.3159 23.977 -78.3162 131.01 -272.895 23.9773 -272.896 166.814 GPRESSURE: 3142400 83.531 -81.7856 -54.0317 -67.2778 176.132 -327.113 26.3497 -205.03 159.411 PRESSAVG: 3142400 -58.6543 -16.059 5.5745 -16.059 -17.6773 -76.0782 5.57441 -76.0782 78.9826 GPRESSAVG: 3142400 -57.7868 -15.5851 3.20598 -16.0068 -17.402 -78.0117 5.88485 -76.9635 77.6338 TIMING: 3142400 CPU: 9463.81, 0.00302761/step Wall: 9463.81, 0.00302761/step, 1.56225 hours remaining, 210.269531 MB of memory in use. ENERGY: 3142400 739.5148 2085.0408 1918.5723 124.5938 -206349.2770 17956.5307 0.0000 0.0000 34297.5640 -149227.4606 299.5292 -183525.0246 -149132.9579 299.3922 108.6230 139.6912 557316.5926 0.8837 0.8150 PRESSURE: 3142600 211.404 -108.235 -72.8702 -108.235 71.7169 103.772 -72.8688 103.77 85.7822 GPRESSURE: 3142600 218.776 -216.09 -14.9542 -59.1571 109.855 90.1123 -115.233 175.381 124.72 PRESSAVG: 3142600 -63.1529 14.9169 21.5825 14.9169 -8.61658 -59.8138 21.5825 -59.8138 -1.27436 GPRESSAVG: 3142600 -62.7517 16.0402 23.2359 15.4313 -9.09363 -57.23 20.9572 -60.3039 -1.54093 TIMING: 3142600 CPU: 9464.42, 0.00304141/step Wall: 9464.42, 0.00304141/step, 1.5692 hours remaining, 210.269531 MB of memory in use. ENERGY: 3142600 759.2012 2081.9332 1954.9787 101.9503 -206274.0377 18037.6532 0.0000 0.0000 34096.0430 -149242.2781 297.7692 -183338.3211 -149141.7190 298.9120 122.9677 151.1172 559622.0015 -24.3480 -24.4621 PRESSURE: 3142800 137.021 111.854 -209.531 111.855 107.748 38.0212 -209.531 38.0225 -1.16757 GPRESSURE: 3142800 142.879 89.5353 -179.699 100.998 131.583 131.829 -174.779 31.0212 67.6088 PRESSAVG: 3142800 20.7495 6.97806 -7.71763 6.97806 34.3737 -30.1438 -7.7177 -30.1439 -22.5276 GPRESSAVG: 3142800 20.5904 4.10854 -6.84172 8.57964 33.671 -28.7787 -8.26484 -31.1465 -21.3276 TIMING: 3142800 CPU: 9465.03, 0.00302801/step Wall: 9465.03, 0.00302801/step, 1.56212 hours remaining, 210.269531 MB of memory in use. ENERGY: 3142800 751.0516 2126.2971 1925.9732 112.7255 -206325.6236 18043.0887 0.0000 0.0000 34225.3846 -149141.1029 298.8988 -183366.4875 -149050.6709 299.2013 81.2003 114.0238 559041.0913 10.8652 10.9779 PRESSURE: 3143000 11.6489 -2.67901 64.4236 -2.67973 -31.6643 -16.1262 64.425 -16.1268 -36.4475 GPRESSURE: 3143000 48.81 49.1513 66.4691 -55.1691 -31.0017 -11.9761 126.348 -2.49002 19.7586 PRESSAVG: 3143000 58.4579 -30.2869 -27.9618 -30.2869 -45.7283 -6.77737 -27.9619 -6.77744 10.0405 GPRESSAVG: 3143000 58.8159 -26.3558 -28.0598 -31.3231 -44.1599 -8.60347 -28.8245 -4.93975 8.21278 TIMING: 3143000 CPU: 9465.63, 0.00300773/step Wall: 9465.63, 0.00300773/step, 1.55149 hours remaining, 210.269531 MB of memory in use. ENERGY: 3143000 771.1287 2086.2645 1939.2357 107.0398 -206298.0869 17841.6302 0.0000 0.0000 34314.4760 -149238.3120 299.6769 -183552.7880 -149141.4868 298.9956 -18.8210 12.5223 558547.3211 7.5900 7.6229 PRESSURE: 3143200 -114.795 127.813 -6.1243 127.812 141.192 -68.6009 -6.12415 -68.6012 139.194 GPRESSURE: 3143200 -37.8628 116.94 -5.90029 186.607 127.281 -92.2372 -11.1679 -62.7142 167.935 PRESSAVG: 3143200 35.1305 -17.8382 44.2176 -17.8382 17.6114 -37.7972 44.2177 -37.7971 -9.82064 GPRESSAVG: 3143200 34.963 -20.0377 45.2546 -17.3075 17.9614 -36.7564 44.7274 -38.2269 -10.103 TIMING: 3143200 CPU: 9466.23, 0.00300816/step Wall: 9466.23, 0.00300816/step, 1.55154 hours remaining, 210.269531 MB of memory in use. ENERGY: 3143200 730.3386 2091.4510 1946.8768 115.9853 -206543.6646 18020.3840 0.0000 0.0000 34295.2319 -149343.3970 299.5088 -183638.6289 -149246.1129 299.0619 55.1970 85.7844 557325.5768 14.3071 14.2738 PRESSURE: 3143400 -10.8375 85.5726 -11.4417 85.5732 -133.878 55.7834 -11.4425 55.7843 185.763 GPRESSURE: 3143400 20.4274 66.2902 -8.70481 34.7315 -113.043 12.3565 -42.2999 16.0553 234.531 PRESSAVG: 3143400 15.3985 -2.20106 -56.7939 -2.20114 -12.0568 2.45465 -56.7939 2.45452 14.3702 GPRESSAVG: 3143400 15.3404 -2.14602 -59.9986 -3.99675 -13.8766 1.24513 -55.366 1.34243 16.5905 TIMING: 3143400 CPU: 9466.83, 0.00299293/step Wall: 9466.83, 0.00299293/step, 1.54352 hours remaining, 210.269531 MB of memory in use. ENERGY: 3143400 776.9054 2071.3390 1904.8746 108.3701 -206218.6958 17850.9057 0.0000 0.0000 34281.8038 -149224.4972 299.3915 -183506.3010 -149125.4575 299.0895 13.6825 47.3054 557236.2905 5.9040 6.0181 PRESSURE: 3143600 -34.7497 -273.025 68.9186 -273.024 -188.213 -85.9165 68.917 -85.9152 -174.275 GPRESSURE: 3143600 67.5383 -259.836 -13.5096 -276.504 -201.612 -104.909 76.4875 -167.423 -165.002 PRESSAVG: 3143600 -40.4483 -50.8405 8.75629 -50.8404 4.8705 -10.6257 8.75631 -10.6257 33.1216 GPRESSAVG: 3143600 -38.7813 -49.7017 12.7795 -51.6475 3.98112 -11.9929 5.97862 -8.91893 32.3897 TIMING: 3143600 CPU: 9467.42, 0.00297634/step Wall: 9467.42, 0.00297634/step, 1.5348 hours remaining, 210.269531 MB of memory in use. ENERGY: 3143600 796.7454 2074.7800 1941.2186 105.7617 -206096.4434 17686.1821 0.0000 0.0000 34215.0237 -149276.7318 298.8083 -183491.7555 -149181.0348 299.5513 -132.4128 -99.6919 558695.7328 -0.8187 -0.8035 PRESSURE: 3143800 -199.707 -38.8897 -35.3983 -38.8898 -49.1887 -105.209 -35.3984 -105.21 -41.4929 GPRESSURE: 3143800 -169.669 56.4432 -9.55431 -80.1079 -46.2084 -98.2561 -69.4977 -160.034 26.7547 PRESSAVG: 3143800 -31.5222 -72.1061 -0.0894237 -72.1061 29.48 -47.1199 -0.0895011 -47.12 13.8208 GPRESSAVG: 3143800 -31.5615 -71.3016 -1.03721 -71.3491 30.4433 -46.9792 0.518638 -47.5955 13.244 TIMING: 3143800 CPU: 9468.03, 0.00301744/step Wall: 9468.03, 0.00301744/step, 1.55582 hours remaining, 210.269531 MB of memory in use. ENERGY: 3143800 764.5088 2079.4058 1940.9126 117.2044 -205979.2446 17724.6230 0.0000 0.0000 34085.0257 -149267.5642 297.6730 -183352.5900 -149172.1100 299.1766 -96.7963 -63.0409 556717.4268 3.9262 4.0419 PRESSURE: 3144000 -57.9531 -6.54245 152.729 -6.54264 -225.453 -110.24 152.729 -110.24 -18.6367 GPRESSURE: 3144000 -38.7365 32.0173 158.296 -47.5711 -149.407 -148.578 124.045 -75.7631 -13.9899 PRESSAVG: 3144000 -54.7689 -20.1119 61.9031 -20.1119 3.30072 -43.1201 61.9032 -43.1202 31.0546 GPRESSAVG: 3144000 -55.8732 -23.6751 59.6966 -18.4034 4.91091 -41.939 64.4044 -44.2813 30.9274 TIMING: 3144000 CPU: 9468.63, 0.00299049/step Wall: 9468.63, 0.00299049/step, 1.54176 hours remaining, 210.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3144000 748.7547 2055.2998 1941.6192 111.1541 -205819.5825 17479.3181 0.0000 0.0000 34362.2620 -149121.1745 300.0942 -183483.4365 -149021.7133 299.4862 -100.6808 -67.3779 556487.6082 -6.8045 -6.6783 PRESSURE: 3144200 -79.8994 -131.183 -71.1038 -131.184 -27.5921 79.6263 -71.1028 79.6261 -120.905 GPRESSURE: 3144200 -37.181 1.66276 -75.0538 -117.568 -5.47585 66.1889 -5.13126 102.347 -82.5739 PRESSAVG: 3144200 49.3623 6.40528 -9.6009 6.40522 -54.334 20.4961 -9.60081 20.4961 1.04103 GPRESSAVG: 3144200 49.9771 8.54339 -7.34981 5.50209 -55.2847 20.1311 -10.9899 20.2969 1.17365 TIMING: 3144200 CPU: 9469.22, 0.00297728/step Wall: 9469.22, 0.00297728/step, 1.53479 hours remaining, 210.269531 MB of memory in use. ENERGY: 3144200 735.6869 2083.2121 1936.3930 116.5982 -205957.6024 17745.3481 0.0000 0.0000 34275.1207 -149065.2434 299.3332 -183340.3640 -148971.1696 299.7983 -76.1321 -41.7436 559249.7153 -1.3102 -1.3780 LDB: ============= START OF LOAD BALANCING ============== 9472.74 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9472.74 LDB: =============== DONE WITH MIGRATION ================ 9472.74 LDB: ============= START OF LOAD BALANCING ============== 9473.04 LDB: Largest compute 4802 load 0.031523 is 26.7% of average load 0.118079 LDB: Average compute 0.001736 is 1.5% of average load 0.118079 LDB: TIME 9473.04 LOAD: AVG 0.118079 MAX 0.205498 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.812 MB LDB: TIME 9473.04 LOAD: AVG 0.118079 MAX 0.205498 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.812 MB LDB: TIME 9473.04 LOAD: AVG 0.118079 MAX 0.205498 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.812 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9473.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9473.05 PRESSURE: 3144400 57.7651 -60.3491 -2.9207 -60.3484 -23.6922 84.464 -2.92116 84.4629 243.06 GPRESSURE: 3144400 81.7557 -98.444 -40.1856 -2.00882 0.784798 63.3248 70.3751 63.2612 290.873 PRESSAVG: 3144400 51.5426 -73.9916 -22.1197 -73.9915 -2.81565 17.7919 -22.1197 17.7918 -52.0678 GPRESSAVG: 3144400 51.6493 -72.2918 -24.4312 -75.2019 -3.70683 18.9874 -21.2598 16.4619 -51.209 TIMING: 3144400 CPU: 9469.83, 0.00304759/step Wall: 9469.83, 0.00304759/step, 1.57087 hours remaining, 211.093750 MB of memory in use. ENERGY: 3144400 715.1060 2114.9723 1940.6710 109.4145 -206222.3483 18006.4818 0.0000 0.0000 34167.7153 -149167.9875 298.3952 -183335.7028 -149070.7680 299.7409 92.3777 124.4711 560132.7581 -1.1136 -1.0889 PRESSURE: 3144600 -374.253 -17.54 136.02 -17.5394 -128.173 104.469 136.02 104.47 -99.493 GPRESSURE: 3144600 -324.638 -38.2168 127.921 -14.2956 -94.3898 70.3684 98.343 155.196 -75.9523 PRESSAVG: 3144600 23.0667 -23.2877 -38.3613 -23.2876 -40.5635 3.30637 -38.3614 3.30626 -23.9956 GPRESSAVG: 3144600 22.9298 -25.0265 -38.7172 -22.6525 -40.415 3.85185 -37.4224 4.59488 -24.0665 TIMING: 3144600 CPU: 9470.43, 0.00298186/step Wall: 9470.43, 0.00298186/step, 1.53682 hours remaining, 211.093750 MB of memory in use. ENERGY: 3144600 761.3942 2052.7727 1930.9633 104.4739 -205741.2519 17652.7107 0.0000 0.0000 34411.5390 -148827.3982 300.5245 -183238.9372 -148728.4917 299.4835 -200.6395 -164.9933 560336.9315 -13.8308 -13.8506 PRESSURE: 3144800 69.1346 78.4436 -100.155 78.4434 70.5377 41.6795 -100.155 41.678 315.171 GPRESSURE: 3144800 53.1156 106.19 -85.9932 82.981 144.144 67.9097 -61.545 19.0955 361.405 PRESSAVG: 3144800 70.3171 -21.9336 -26.406 -21.9337 -31.661 42.8789 -26.406 42.8789 -27.7349 GPRESSAVG: 3144800 69.0817 -19.9034 -24.6195 -22.0657 -31.9252 40.6044 -27.8667 43.5983 -26.2649 TIMING: 3144800 CPU: 9471.02, 0.00297596/step Wall: 9471.02, 0.00297596/step, 1.53361 hours remaining, 211.093750 MB of memory in use. ENERGY: 3144800 724.6884 2034.6191 1948.0684 109.2709 -206043.9443 17985.2445 0.0000 0.0000 34324.8578 -148917.1951 299.7675 -183242.0529 -148824.0808 299.8969 151.6144 186.2214 557426.9379 3.6404 3.6305 PRESSURE: 3145000 -18.3838 -11.52 -182.716 -11.5194 -145.753 -2.64982 -182.715 -2.64944 170.031 GPRESSURE: 3145000 -9.84982 38.5804 -203.647 -35.0525 -79.1077 -44.9154 -44.5641 3.26385 187.374 PRESSAVG: 3145000 44.7711 -2.09554 -7.97614 -2.09552 -52.7114 12.4453 -7.97621 12.4452 -18.6069 GPRESSAVG: 3145000 46.0349 -3.67909 -7.30749 -1.70489 -52.1251 12.7926 -7.53823 10.7913 -20.1421 TIMING: 3145000 CPU: 9471.62, 0.00298663/step Wall: 9471.62, 0.00298663/step, 1.53894 hours remaining, 211.093750 MB of memory in use. ENERGY: 3145000 743.8407 2057.0645 1925.7307 117.7877 -206069.8463 17986.5824 0.0000 0.0000 34350.7523 -148888.0880 299.9937 -183238.8403 -148794.4141 300.0431 1.9647 32.8055 557978.8513 -8.8491 -8.7441 PRESSURE: 3145200 26.7336 64.8125 -27.3784 64.8119 42.4497 -85.3987 -27.3781 -85.3988 -173.882 GPRESSURE: 3145200 28.5137 42.3032 -31.6896 79.731 58.0058 -99.0631 -45.2579 -157.667 -78.4502 PRESSAVG: 3145200 78.0361 -34.0781 -5.20377 -34.0782 -46.1377 50.7161 -5.2039 50.7161 -47.3648 GPRESSAVG: 3145200 78.642 -35.9174 -6.16867 -32.2878 -46.8055 50.3473 -5.55372 49.556 -47.474 TIMING: 3145200 CPU: 9472.22, 0.00300332/step Wall: 9472.22, 0.00300332/step, 1.54738 hours remaining, 211.093750 MB of memory in use. ENERGY: 3145200 742.4421 2098.3883 1924.8271 107.3831 -206121.5519 17770.8178 0.0000 0.0000 34379.3241 -149098.3694 300.2432 -183477.6935 -149001.1011 300.1746 -34.8994 2.6898 557311.2680 -5.1555 -5.2125 PRESSURE: 3145400 -58.9165 -117.567 60.3135 -117.566 -204.547 22.8205 60.3131 22.8198 -476.995 GPRESSURE: 3145400 -77.8109 -77.3001 59.1144 -157.531 -146.174 -6.48561 100.119 0.180907 -414.528 PRESSAVG: 3145400 -4.53882 13.1965 -30.1879 13.1964 51.1319 36.9065 -30.1879 36.9065 -48.5637 GPRESSAVG: 3145400 -5.37907 16.4463 -29.6387 10.2344 51.674 38.6632 -27.8054 37.6683 -48.2484 TIMING: 3145400 CPU: 9472.82, 0.00300018/step Wall: 9472.82, 0.00300018/step, 1.54559 hours remaining, 211.093750 MB of memory in use. ENERGY: 3145400 731.7993 2100.4002 1938.8752 122.8668 -205836.5129 17411.2952 0.0000 0.0000 34320.1626 -149211.1137 299.7265 -183531.2763 -149117.8994 299.7533 -246.8196 -212.8375 558767.2575 -0.6569 -0.6511 PRESSURE: 3145600 110.766 3.57349 41.781 3.57396 47.0919 -97.5301 41.7806 -97.5294 151.922 GPRESSURE: 3145600 114.48 50.0457 16.0365 35.7298 111.428 -95.9687 97.8323 -69.8125 174.229 PRESSAVG: 3145600 29.5293 -17.5376 12.2378 -17.5376 22.6253 8.56473 12.2378 8.56475 -69.8164 GPRESSAVG: 3145600 30.4757 -17.9613 11.4313 -16.2091 21.7649 9.28949 10.9822 7.93528 -69.9744 TIMING: 3145600 CPU: 9473.42, 0.00301635/step Wall: 9473.42, 0.00301635/step, 1.55376 hours remaining, 211.093750 MB of memory in use. ENERGY: 3145600 726.4350 2085.7182 1921.0181 110.0335 -206345.5491 17860.6484 0.0000 0.0000 34341.6169 -149300.0789 299.9139 -183641.6958 -149208.0206 299.2656 103.2602 133.3790 557643.1186 -5.8873 -5.9113 PRESSURE: 3145800 49.8799 139.627 93.3273 139.627 -71.1786 -34.4915 93.3268 -34.4914 55.92 GPRESSURE: 3145800 14.7513 143.843 111.298 173.499 -6.07239 -9.54176 124.263 -12.6076 120.021 PRESSAVG: 3145800 35.1584 -3.24658 -24.4347 -3.24669 -25.7746 -71.1765 -24.4347 -71.1766 20.4502 GPRESSAVG: 3145800 34.1979 -2.72006 -23.4628 -4.17951 -24.8708 -71.0304 -26.3012 -70.7065 20.8264 TIMING: 3145800 CPU: 9474.02, 0.00298453/step Wall: 9474.02, 0.00298453/step, 1.5372 hours remaining, 211.093750 MB of memory in use. ENERGY: 3145800 770.0865 2110.8571 1922.9228 116.6866 -206248.5581 17965.9492 0.0000 0.0000 34124.8554 -149237.2005 298.0208 -183362.0558 -149141.3357 299.1702 11.5404 42.8998 558345.8746 9.9447 10.0511 PRESSURE: 3146000 -64.3066 104.409 82.3796 104.408 -32.6026 -111.271 82.38 -111.269 198.21 GPRESSURE: 3146000 -20.5242 12.5154 82.6727 68.7296 -12.0715 -118.324 38.8984 -71.0525 229.074 PRESSAVG: 3146000 -32.8585 -43.1617 15.1873 -43.1617 -22.0247 13.4643 15.1873 13.4643 25.05 GPRESSAVG: 3146000 -32.2776 -45.405 13.2236 -40.9304 -22.217 12.0891 17.5195 13.2086 25.2396 TIMING: 3146000 CPU: 9474.62, 0.00299963/step Wall: 9474.62, 0.00299963/step, 1.54481 hours remaining, 211.070312 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: 3146000 729.1561 2073.5332 1927.1170 114.0734 -206123.0117 17799.0626 0.0000 0.0000 34184.0498 -149296.0196 298.5378 -183480.0694 -149201.9080 298.9919 33.7668 65.4926 558118.1557 -9.9444 -9.7516 PRESSURE: 3146200 -186.114 -73.5848 -57.4531 -73.5854 -431.341 -18.3097 -57.453 -18.3096 -234.19 GPRESSURE: 3146200 -205.896 -127.65 18.0709 -130.734 -352.345 -86.9464 -47.7416 -22.5327 -182.532 PRESSAVG: 3146200 -20.1383 29.1061 -31.7553 29.1061 27.4044 7.6742 -31.7554 7.67424 2.12075 GPRESSAVG: 3146200 -19.8066 28.121 -29.1123 28.2567 27.9553 7.52434 -32.4284 9.18824 0.840996 TIMING: 3146200 CPU: 9475.22, 0.0029889/step Wall: 9475.22, 0.0029889/step, 1.53912 hours remaining, 211.070312 MB of memory in use. ENERGY: 3146200 706.2622 2105.5383 1923.2373 115.2941 -205608.4604 17425.4001 0.0000 0.0000 34133.3593 -149199.3690 298.0951 -183332.7283 -149113.8829 298.9498 -283.8814 -246.9241 560055.4632 3.1290 2.9966 PRESSURE: 3146400 102.709 -124.768 117.238 -124.768 54.075 -57.1136 117.238 -57.1153 -161.967 GPRESSURE: 3146400 134.956 -62.549 100.557 -124.134 93.1251 -67.8765 147.888 -25.9893 -143.842 PRESSAVG: 3146400 -16.267 -21.2081 -26.1603 -21.208 4.04689 2.52151 -26.1604 2.52156 32.672 GPRESSAVG: 3146400 -15.9269 -20.6617 -28.9296 -23.8726 2.89196 0.329643 -23.1391 3.64246 33.504 TIMING: 3146400 CPU: 9475.82, 0.00298631/step Wall: 9475.82, 0.00298631/step, 1.53762 hours remaining, 211.070312 MB of memory in use. ENERGY: 3146400 746.0558 2068.0177 1912.6829 119.8044 -206426.5926 18010.9730 0.0000 0.0000 34281.7339 -149287.3250 299.3909 -183569.0588 -149186.6661 298.9860 -1.7275 28.0795 559419.4710 6.8173 6.8230 PRESSURE: 3146600 -116.494 109.516 78.9155 109.516 293.836 4.25761 78.916 4.25819 171.371 GPRESSURE: 3146600 -30.5375 93.165 143.429 73.1788 314.246 32.2731 99.7042 25.6856 162.875 PRESSAVG: 3146600 19.892 -22.767 -36.0781 -22.7672 -40.4572 -2.56309 -36.078 -2.56313 40.2523 GPRESSAVG: 3146600 20.4601 -22.7372 -33.8286 -20.8283 -40.8764 -0.0389753 -40.2523 -5.02283 40.1958 TIMING: 3146600 CPU: 9476.41, 0.00296537/step Wall: 9476.41, 0.00296537/step, 1.52667 hours remaining, 211.070312 MB of memory in use. ENERGY: 3146600 747.6731 2097.7534 1941.0845 106.9852 -206336.4222 18017.0472 0.0000 0.0000 34248.0686 -149177.8101 299.0969 -183425.8787 -149077.5087 298.3366 116.2376 148.8611 557893.7155 6.5624 6.5932 PRESSURE: 3146800 -255.719 -50.0355 -74.6431 -50.0357 -136.811 29.7177 -74.6417 29.7199 54.4679 GPRESSURE: 3146800 -234.764 -6.28122 -63.1815 -86.3851 -106.774 20.2926 -76.8063 -24.7884 94.3605 PRESSAVG: 3146800 -29.1907 17.7218 -25.3579 17.7219 52.4872 -57.2612 -25.3579 -57.2612 1.23977 GPRESSAVG: 3146800 -30.5251 18.8011 -25.6189 15.5319 52.5188 -57.456 -25.686 -55.2787 1.89502 TIMING: 3146800 CPU: 9477.01, 0.00298965/step Wall: 9477.01, 0.00298965/step, 1.53901 hours remaining, 211.070312 MB of memory in use. ENERGY: 3146800 762.2453 2116.6147 1933.9542 114.9468 -205938.6440 17567.4917 0.0000 0.0000 34325.9768 -149117.4145 299.7773 -183443.3913 -149018.5454 298.9784 -112.6871 -82.3928 558490.4147 8.1788 7.9629 PRESSURE: 3147000 -280.824 47.7925 59.3655 47.7923 -113.448 178.296 59.365 178.296 88.4729 GPRESSURE: 3147000 -257.363 43.3132 115.059 108.717 -83.9251 245.148 93.6724 116.545 125.104 PRESSAVG: 3147000 -49.2791 30.6017 -28.6943 30.6019 30.2336 -5.06453 -28.6943 -5.06452 27.9995 GPRESSAVG: 3147000 -50.068 31.0887 -28.9614 30.9236 31.1281 -4.78629 -27.7091 -6.17371 28.0449 TIMING: 3147000 CPU: 9477.61, 0.00301931/step Wall: 9477.61, 0.00301931/step, 1.55411 hours remaining, 211.070312 MB of memory in use. ENERGY: 3147000 717.6627 2131.1311 1919.1681 98.5496 -205460.1458 17407.1850 0.0000 0.0000 34020.7893 -149165.6599 297.1120 -183186.4493 -149069.7226 299.5533 -101.9329 -72.0613 558951.0817 2.9847 3.0350 PRESSURE: 3147200 -38.682 -91.4402 53.6632 -91.4398 -156.788 -48.4401 53.6632 -48.4396 -222.878 GPRESSURE: 3147200 -64.2614 -148.113 31.3195 -1.14222 -135.93 -133.774 55.5899 -78.8038 -137.333 PRESSAVG: 3147200 -10.8067 -22.8867 -4.15635 -22.8868 -37.7163 -22.0449 -4.15636 -22.0448 75.2309 GPRESSAVG: 3147200 -9.18158 -24.7505 -3.57802 -20.7246 -37.7873 -22.4509 -4.05121 -23.4183 73.8879 TIMING: 3147200 CPU: 9478.21, 0.00302118/step Wall: 9478.21, 0.00302118/step, 1.5549 hours remaining, 211.070312 MB of memory in use. ENERGY: 3147200 778.0927 2113.4886 1945.8361 111.1379 -205899.8966 17484.3670 0.0000 0.0000 34211.8382 -149255.1362 298.7805 -183466.9744 -149162.9874 298.9655 -139.4495 -112.5084 558817.1152 8.9026 8.9730 PRESSURE: 3147400 21.626 -23.1081 175.308 -23.1083 33.9643 -60.495 175.309 -60.4952 44.6813 GPRESSURE: 3147400 25.1019 -27.0583 189.226 -12.8226 103.424 -139.057 145.097 -39.6672 81.7672 PRESSAVG: 3147400 -42.256 6.01459 10.6503 6.01464 52.7472 20.2436 10.6502 20.2437 -43.7488 GPRESSAVG: 3147400 -41.951 9.48147 8.65889 3.90721 50.7797 21.0505 10.4106 18.6774 -41.9114 TIMING: 3147400 CPU: 9478.82, 0.00301676/step Wall: 9478.82, 0.00301676/step, 1.55246 hours remaining, 211.070312 MB of memory in use. ENERGY: 3147400 735.3008 2095.6256 1919.1698 120.5447 -206147.1586 17887.3816 0.0000 0.0000 34097.6761 -149291.4600 297.7835 -183389.1361 -149190.1577 298.9781 33.4238 70.0976 557994.8729 -11.0859 -11.0275 PRESSURE: 3147600 34.8969 217.561 -4.97359 217.56 -64.1622 -54.5775 -4.97276 -54.5769 -69.9788 GPRESSURE: 3147600 76.1665 150.218 -5.48531 248.645 -21.0583 -29.8376 -19.2156 -53.5216 -56.209 PRESSAVG: 3147600 76.4231 39.319 0.199486 39.319 -1.91098 27.078 0.199547 27.078 -85.5001 GPRESSAVG: 3147600 76.2016 36.2278 3.51562 40.8423 -0.794084 24.8379 -1.22856 30.3906 -85.9705 TIMING: 3147600 CPU: 9479.42, 0.00300391/step Wall: 9479.42, 0.00300391/step, 1.54568 hours remaining, 211.070312 MB of memory in use. ENERGY: 3147600 777.4404 2131.5606 1934.7023 114.2310 -206347.0432 17715.1530 0.0000 0.0000 34363.4261 -149310.5299 300.1043 -183673.9560 -149208.2170 299.4529 -33.0813 -0.3669 556553.2242 -3.6626 -3.5210 PRESSURE: 3147800 -172.692 61.5934 72.5302 61.5925 -104.761 -72.0066 72.5289 -72.0065 -264.293 GPRESSURE: 3147800 -92.1949 171.175 142.744 39.7098 -93.3963 -69.2632 103.314 -60.1108 -263.005 PRESSAVG: 3147800 50.6921 39.4829 17.2577 39.4829 -5.10168 18.197 17.2577 18.197 -26.8598 GPRESSAVG: 3147800 51.2783 41.0752 14.6681 38.8352 -5.19156 18.3931 20.0844 19.7501 -26.8046 TIMING: 3147800 CPU: 9480.02, 0.00301524/step Wall: 9480.02, 0.00301524/step, 1.55134 hours remaining, 211.070312 MB of memory in use. ENERGY: 3147800 720.7331 2096.4860 1945.2994 115.3854 -205688.9437 17469.9273 0.0000 0.0000 34034.9593 -149306.1532 297.2358 -183341.1125 -149212.4171 299.6312 -180.5820 -149.5320 558892.1317 6.2436 6.4274 PRESSURE: 3148000 182.566 127.903 -0.0528689 127.904 28.0751 72.7966 -0.0529548 72.7974 -216.381 GPRESSURE: 3148000 236.709 195.425 -26.8358 26.0428 51.7197 27.6391 52.4111 -32.3356 -194.423 PRESSAVG: 3148000 9.77672 4.0547 7.84755 4.05473 62.1867 3.09075 7.84757 3.09087 -112.816 GPRESSAVG: 3148000 9.4475 1.58192 7.65299 6.22974 62.6839 4.58714 8.29085 0.231323 -112.564 TIMING: 3148000 CPU: 9480.62, 0.00299551/step Wall: 9480.62, 0.00299551/step, 1.54102 hours remaining, 211.070312 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: 3148000 749.9761 2112.0057 1931.6539 104.2182 -206635.6110 18021.5327 0.0000 0.0000 34205.0682 -149511.1563 298.7214 -183716.2245 -149413.2748 298.8906 -1.9133 31.3351 557031.1152 -13.6175 -13.4777 PRESSURE: 3148200 -27.7591 -135.658 165.019 -135.659 158.858 -29.9013 165.02 -29.9008 -186.057 GPRESSURE: 3148200 7.01583 -145.707 221.373 -18.2329 186.064 41.4062 181.424 -26.4779 -144.155 PRESSAVG: 3148200 22.1423 -1.58711 5.48182 -1.58715 -24.2523 -4.82205 5.48184 -4.82195 12.2082 GPRESSAVG: 3148200 21.5794 0.686868 6.96866 -3.47931 -24.6709 -6.98477 3.34864 -1.95749 12.7086 TIMING: 3148200 CPU: 9481.22, 0.00297982/step Wall: 9481.22, 0.00297982/step, 1.53279 hours remaining, 211.070312 MB of memory in use. ENERGY: 3148200 766.0306 2072.7844 1948.4361 106.2465 -206489.6991 18010.1543 0.0000 0.0000 33990.7540 -149595.2932 296.8497 -183586.0472 -149496.3579 298.0746 -18.3194 16.3082 558151.2374 3.3660 3.2057 LDB: ============= START OF LOAD BALANCING ============== 9484.73 LDB: ============== END OF LOAD BALANCING =============== 9484.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9484.73 LDB: ============= START OF LOAD BALANCING ============== 9485.03 LDB: Largest compute 4802 load 0.029659 is 25.1% of average load 0.118201 LDB: Average compute 0.001731 is 1.5% of average load 0.118201 LDB: TIME 9485.03 LOAD: AVG 0.118201 MAX 0.208329 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.578 MB LDB: TIME 9485.03 LOAD: AVG 0.118201 MAX 0.208329 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.637 MB LDB: TIME 9485.03 LOAD: AVG 0.118201 MAX 0.208329 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.637 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9485.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9485.04 PRESSURE: 3148400 -192.956 60.5111 170.734 60.5118 -34.6354 -65.4428 170.734 -65.4436 25.1011 GPRESSURE: 3148400 -127.49 161.454 115.176 -4.76135 -13.2875 -13.021 124.528 -100.212 36.6694 PRESSAVG: 3148400 6.61997 -21.7285 26.1836 -21.7285 -3.96388 3.56737 26.1837 3.56732 -19.884 GPRESSAVG: 3148400 5.61394 -20.6881 23.5419 -22.7691 -3.51072 5.38639 27.616 0.705297 -19.2623 TIMING: 3148400 CPU: 9481.82, 0.0030236/step Wall: 9481.82, 0.0030236/step, 1.55514 hours remaining, 210.769531 MB of memory in use. ENERGY: 3148400 771.7236 2113.9589 1950.3350 107.3960 -206187.1837 17714.1285 0.0000 0.0000 33958.5952 -149571.0464 296.5689 -183529.6417 -149472.5011 297.6204 -67.4969 -34.7027 557291.5743 -5.7426 -5.7197 PRESSURE: 3148600 -68.654 -53.1258 61.8049 -53.1263 163.101 -16.1398 61.8044 -16.1391 178.478 GPRESSURE: 3148600 -41.6495 -49.7768 54.7633 -22.1915 231.68 -9.08294 -6.48088 -43.0711 174.846 PRESSAVG: 3148600 -20.1126 -9.08052 7.4283 -9.08045 32.7536 -24.374 7.42839 -24.374 -14.2917 GPRESSAVG: 3148600 -18.1735 -11.2338 8.41382 -7.27933 32.6667 -25.264 5.37617 -22.5868 -16.5825 TIMING: 3148600 CPU: 9482.43, 0.00302667/step Wall: 9482.43, 0.00302667/step, 1.55655 hours remaining, 210.769531 MB of memory in use. ENERGY: 3148600 776.3029 2112.9243 1924.8427 133.2110 -206664.8257 17948.3377 0.0000 0.0000 34104.4336 -149664.7735 297.8425 -183769.2070 -149572.5668 298.1364 90.9751 121.6254 556608.0467 -0.5502 -0.6964 PRESSURE: 3148800 -71.0913 -194.428 -71.6356 -194.429 322.58 -66.8562 -71.6339 -66.8561 -121.359 GPRESSURE: 3148800 26.8021 -124.484 30.9396 -186.011 319.198 -93.9928 -127.557 -41.6256 -117.674 PRESSAVG: 3148800 -57.3897 -27.3623 34.7465 -27.3624 50.8026 15.3731 34.7467 15.3731 -2.20744 GPRESSAVG: 3148800 -58.0093 -24.8845 37.0967 -27.996 49.748 14.1391 34.985 15.9516 -1.14145 TIMING: 3148800 CPU: 9483.03, 0.00299299/step Wall: 9483.03, 0.00299299/step, 1.53906 hours remaining, 210.769531 MB of memory in use. ENERGY: 3148800 800.7940 2132.9851 1957.9588 122.2007 -206551.7594 17998.7967 0.0000 0.0000 34058.9556 -149480.0686 297.4453 -183539.0241 -149378.7414 298.5526 43.3766 76.1086 556771.7687 -2.9315 -3.1343 PRESSURE: 3149000 -195.194 -128.597 -131.835 -128.597 -185.137 -36.8341 -131.836 -36.8334 114.9 GPRESSURE: 3149000 -152.171 -204.1 -138.162 -121.061 -139.575 16.0155 -148.839 -35.203 130.348 PRESSAVG: 3149000 19.1457 46.6881 48.9646 46.6881 -14.3533 57.4459 48.9646 57.4459 0.464075 GPRESSAVG: 3149000 19.6368 46.4472 45.8169 46.3374 -14.2249 60.8605 49.7979 55.4513 -0.022227 TIMING: 3149000 CPU: 9483.63, 0.00300434/step Wall: 9483.63, 0.00300434/step, 1.54473 hours remaining, 210.769531 MB of memory in use. ENERGY: 3149000 799.7880 2026.1135 1922.1428 105.6175 -206316.7812 17724.0683 0.0000 0.0000 34232.1181 -149506.9329 298.9576 -183739.0510 -149408.5294 298.9519 -88.4770 -53.7995 556617.7279 1.7521 1.7965 PRESSURE: 3149200 -37.9361 -3.09692 71.8776 -3.09602 -117.157 -104.953 71.8793 -104.952 -178.249 GPRESSURE: 3149200 -0.925637 -47.3567 63.4898 -45.5323 -91.3034 -50.1593 81.7455 -28.6318 -144.474 PRESSAVG: 3149200 31.0917 31.4415 44.2923 31.4415 -21.7841 4.62499 44.2924 4.62502 9.24334 GPRESSAVG: 3149200 30.1918 29.6584 46.0843 31.3769 -22.3118 1.95854 43.4697 6.7836 10.3178 TIMING: 3149200 CPU: 9484.23, 0.00299926/step Wall: 9484.23, 0.00299926/step, 1.54195 hours remaining, 210.769531 MB of memory in use. ENERGY: 3149200 760.4843 2131.3515 1944.6979 106.8468 -206403.6630 17819.0411 0.0000 0.0000 34149.8197 -149491.4217 298.2389 -183641.2414 -149393.0949 298.2534 -111.1141 -78.9010 555929.8051 6.1836 6.0659 PRESSURE: 3149400 87.1637 -26.0717 -58.5052 -26.0705 44.6465 34.7485 -58.5044 34.7473 82.5275 GPRESSURE: 3149400 151.082 47.0081 -58.9688 -90.1826 69.4732 18.3639 -62.1467 32.5645 76.0746 PRESSAVG: 3149400 -34.7103 -56.4577 -33.9096 -56.4576 38.9098 55.4327 -33.9096 55.4327 -13.8375 GPRESSAVG: 3149400 -34.8105 -56.5523 -34.9513 -57.4503 39.3662 57.7513 -33.0815 53.6276 -13.9232 TIMING: 3149400 CPU: 9484.83, 0.00301017/step Wall: 9484.83, 0.00301017/step, 1.54739 hours remaining, 210.769531 MB of memory in use. ENERGY: 3149400 735.2282 2045.5717 1963.6528 118.9424 -206491.1369 17955.7970 0.0000 0.0000 34336.0310 -149335.9138 299.8651 -183671.9448 -149240.0125 298.4378 71.4459 98.8765 557313.2786 -3.2127 -3.1225 PRESSURE: 3149600 -317.349 34.636 -85.9007 34.6384 -107.73 35.2716 -85.9013 35.2716 145.873 GPRESSURE: 3149600 -278.977 58.6595 -84.2171 8.58862 -62.7188 82.5003 -76.2022 69.0628 170.658 PRESSAVG: 3149600 -38.7204 50.3154 -5.62221 50.3154 64.7563 3.32463 -5.62234 3.32459 -22.7224 GPRESSAVG: 3149600 -37.6464 50.3963 -4.22855 51.9787 64.2455 1.67808 -7.07236 3.76933 -23.4605 TIMING: 3149600 CPU: 9485.43, 0.00302157/step Wall: 9485.43, 0.00302157/step, 1.55309 hours remaining, 210.769531 MB of memory in use. ENERGY: 3149600 738.5368 2123.0797 1943.0620 105.9409 -206147.6562 17685.8648 0.0000 0.0000 34185.2251 -149365.9469 298.5481 -183551.1720 -149268.8140 298.6243 -93.0683 -57.0126 557272.2364 1.1045 1.0462 PRESSURE: 3149800 -222.67 102.711 61.7047 102.713 -359.829 84.5083 61.7048 84.5084 -445.784 GPRESSURE: 3149800 -229.043 -13.7774 41.9004 86.7404 -344.542 -20.5994 54.4898 126.919 -370.21 PRESSAVG: 3149800 -59.3417 20.4351 73.2667 20.4351 -29.7184 -14.3105 73.2667 -14.3105 90.4494 GPRESSAVG: 3149800 -60.2504 20.0193 71.7624 17.5563 -28.5252 -15.8416 73.3595 -12.9467 90.2566 TIMING: 3149800 CPU: 9486.03, 0.00299434/step Wall: 9486.03, 0.00299434/step, 1.53893 hours remaining, 210.769531 MB of memory in use. ENERGY: 3149800 732.3578 2100.7426 1928.8350 124.6903 -205520.8886 17177.1319 0.0000 0.0000 34117.5665 -149339.5646 297.9572 -183457.1311 -149239.8733 299.2660 -342.7610 -314.5982 559239.5776 0.4631 0.4937 PRESSURE: 3150000 -90.7388 -18.3652 -13.2787 -18.3648 28.3923 -55.2268 -13.2787 -55.2257 271.739 GPRESSURE: 3150000 -11.7357 6.45037 -73.8883 -41.5607 63.6162 -135.777 51.0685 -23.734 255.156 PRESSAVG: 3150000 9.41279 -48.4726 1.69409 -48.4725 47.9641 20.8983 1.69413 20.8985 -19.4901 GPRESSAVG: 3150000 9.7319 -48.1261 0.523715 -45.8801 47.2364 23.058 3.67213 19.6658 -18.6709 TIMING: 3150000 CPU: 9486.63, 0.00300072/step Wall: 9486.63, 0.00300072/step, 1.54204 hours remaining, 210.769531 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: 3150000 755.3336 2095.8774 1939.7240 106.3702 -206558.3858 17888.0931 0.0000 0.0000 34378.5598 -149394.4278 300.2365 -183772.9876 -149296.5651 298.8920 69.7974 102.3454 555814.4418 12.6289 12.7658 PRESSURE: 3150200 -88.871 -172.638 -112.13 -172.638 -79.7524 -4.28316 -112.132 -4.28362 36.3432 GPRESSURE: 3150200 -64.6102 -243.551 -98.5602 -145.16 -2.23215 22.135 1.76432 56.0202 55.2875 PRESSAVG: 3150200 -12.5822 -14.6179 15.1804 -14.618 16.8442 -65.4229 15.1804 -65.423 4.85621 GPRESSAVG: 3150200 -13.0112 -17.2336 16.5953 -14.8665 17.4902 -63.689 14.3841 -64.6906 4.48742 TIMING: 3150200 CPU: 9487.23, 0.00300811/step Wall: 9487.23, 0.00300811/step, 1.54567 hours remaining, 210.769531 MB of memory in use. ENERGY: 3150200 791.1881 2023.7372 1917.2278 117.2543 -206223.2819 17770.9859 0.0000 0.0000 34000.7327 -149602.1559 296.9369 -183602.8886 -149507.2826 298.3236 -44.0934 -3.8516 556903.0470 3.0394 2.9888 PRESSURE: 3150400 -27.3436 96.9193 -49.5297 96.9189 130.02 -16.6023 -49.5295 -16.601 -95.6505 GPRESSURE: 3150400 30.6234 77.6622 -76.9034 131.902 151.684 -22.44 -66.411 -42.8093 -84.3343 PRESSAVG: 3150400 -17.1772 -57.2709 -30.5858 -57.271 -34.8538 22.8023 -30.5859 22.8023 28.1456 GPRESSAVG: 3150400 -17.3815 -53.397 -30.806 -58.348 -33.7348 19.8461 -30.7433 23.2343 27.3192 TIMING: 3150400 CPU: 9487.84, 0.00303817/step Wall: 9487.84, 0.00303817/step, 1.56094 hours remaining, 210.769531 MB of memory in use. ENERGY: 3150400 743.5709 2102.0324 1957.7782 112.8338 -206524.2204 17759.9649 0.0000 0.0000 34147.8757 -149700.1645 298.2219 -183848.0402 -149608.3941 298.1260 2.3420 32.6576 556504.7096 -7.9618 -7.9324 PRESSURE: 3150600 16.446 -31.6908 -116.75 -31.6904 -5.07725 -220.606 -116.749 -220.606 36.1738 GPRESSURE: 3150600 101.12 -48.259 -33.8727 31.6863 19.9454 -199.519 -109.694 -186.777 23.9113 PRESSAVG: 3150600 13.9942 39.2087 -26.6017 39.2086 61.1515 -54.0531 -26.6017 -54.053 -79.8383 GPRESSAVG: 3150600 14.5712 38.4773 -27.5158 40.1714 59.3419 -53.9561 -26.4249 -52.8558 -78.5769 TIMING: 3150600 CPU: 9488.43, 0.00296401/step Wall: 9488.43, 0.00296401/step, 1.52268 hours remaining, 210.769531 MB of memory in use. ENERGY: 3150600 716.8438 2103.0811 1945.2474 97.4336 -206631.5409 17970.8467 0.0000 0.0000 34107.8208 -149690.2675 297.8721 -183798.0883 -149596.8874 298.3175 15.8475 48.3255 556132.1029 -1.5642 -1.5546 PRESSURE: 3150800 -340.486 83.4235 68.5235 83.4239 -357.666 -46.3111 68.5237 -46.3103 -157.582 GPRESSURE: 3150800 -306.812 121.978 23.2893 -77.5443 -315.47 -8.07245 48.5436 -88.4223 -141.874 PRESSAVG: 3150800 -96.2892 -28.4067 -55.4131 -28.4067 59.2714 -31.8968 -55.4131 -31.8969 10.1485 GPRESSAVG: 3150800 -95.5806 -29.8028 -55.4349 -28.5937 59.1704 -29.6304 -55.6959 -33.1667 9.31156 TIMING: 3150800 CPU: 9489.03, 0.00300236/step Wall: 9489.03, 0.00300236/step, 1.54221 hours remaining, 210.769531 MB of memory in use. ENERGY: 3150800 713.8771 2002.2877 1971.2475 114.8218 -206037.5059 17399.9792 0.0000 0.0000 34249.1324 -149586.1602 299.1062 -183835.2926 -149486.6600 298.1504 -285.2447 -254.7188 557290.2261 -8.9564 -9.0329 PRESSURE: 3151000 -176.939 -77.8229 -27.8855 -77.8219 -126.896 64.3542 -27.8859 64.3553 170.353 GPRESSURE: 3151000 -110.634 -3.66839 -130.358 -110.018 -95.4334 75.7473 65.2155 49.1475 161.24 PRESSAVG: 3151000 -24.7507 -16.1458 6.47424 -16.1458 -50.277 1.45773 6.47418 1.45793 61.0737 GPRESSAVG: 3151000 -24.3111 -16.046 5.82735 -14.9169 -50.6024 3.23328 5.30354 -0.33384 60.9798 TIMING: 3151000 CPU: 9489.63, 0.00299946/step Wall: 9489.63, 0.00299946/step, 1.54056 hours remaining, 210.769531 MB of memory in use. ENERGY: 3151000 737.0835 2043.0723 1925.0399 113.7050 -206018.2564 17649.5126 0.0000 0.0000 34096.0960 -149453.7470 297.7697 -183549.8430 -149353.1523 298.5519 -44.4937 -14.9426 557208.3445 -4.6514 -4.6446 PRESSURE: 3151200 -38.5908 105.998 -183.145 105.999 -100.048 255.843 -183.145 255.843 -25.9529 GPRESSURE: 3151200 2.90352 46.7138 -174.908 161.808 -66.2542 281.222 -202.638 167.243 -6.3891 PRESSAVG: 3151200 -84.9732 -39.6802 -12.4396 -39.6801 -56.0454 -12.57 -12.4395 -12.5701 98.6432 GPRESSAVG: 3151200 -85.4903 -39.8118 -10.8246 -40.319 -54.7269 -14.1544 -12.3738 -11.0512 98.1997 TIMING: 3151200 CPU: 9490.23, 0.00299179/step Wall: 9490.23, 0.00299179/step, 1.53645 hours remaining, 210.769531 MB of memory in use. ENERGY: 3151200 692.9662 2032.2081 1974.6408 108.0573 -206211.6886 17632.4716 0.0000 0.0000 34366.6046 -149404.7401 300.1321 -183771.3447 -149301.5896 298.6581 -54.8639 -23.2466 557292.8992 -14.1252 -14.0058 PRESSURE: 3151400 -120.216 -156.848 -23.5464 -156.849 43.3371 -151.731 -23.5454 -151.73 169.14 GPRESSURE: 3151400 -102.512 -99.9905 91.6654 -168.953 33.1496 -54.5297 -99.612 -158.101 254.414 PRESSAVG: 3151400 -21.1034 8.63616 -7.79424 8.63613 26.3523 42.1508 -7.7943 42.1507 67.5064 GPRESSAVG: 3151400 -22.739 10.6749 -8.2991 7.48867 26.6101 40.6438 -7.74278 43.2535 69.1561 TIMING: 3151400 CPU: 9490.83, 0.00297754/step Wall: 9490.83, 0.00297754/step, 1.52897 hours remaining, 210.769531 MB of memory in use. ENERGY: 3151400 745.6611 2027.7396 1945.2725 109.4947 -206345.2796 18006.1613 0.0000 0.0000 34205.5085 -149305.4419 298.7252 -183510.9504 -149206.1910 298.9867 30.7537 61.6836 557347.5331 24.2518 24.3424 PRESSURE: 3151600 -101.999 -65.7206 14.6911 -65.7199 10.9751 34.0304 14.6918 34.0308 76.6924 GPRESSURE: 3151600 -42.1529 -37.386 13.8935 -21.7874 55.0446 -18.6941 -35.4451 50.3135 53.8928 PRESSAVG: 3151600 -90.0201 10.9365 1.29613 10.9367 16.601 -33.6741 1.29612 -33.6741 104.413 GPRESSAVG: 3151600 -90.7781 9.24522 3.23078 12.9603 16.7005 -33.1233 0.348823 -34.7659 104.788 TIMING: 3151600 CPU: 9491.42, 0.00297559/step Wall: 9491.42, 0.00297559/step, 1.5278 hours remaining, 210.769531 MB of memory in use. ENERGY: 3151600 747.6615 2010.8366 1916.8401 109.7984 -206144.2703 17828.7211 0.0000 0.0000 34147.1565 -149383.2562 298.2156 -183530.4127 -149288.8085 298.8907 -4.7772 22.2615 557575.5240 10.3314 10.2369 PRESSURE: 3151800 -130.772 -44.5872 21.2515 -44.5883 -71.6068 47.356 21.2534 47.3564 132.649 GPRESSURE: 3151800 -71.173 -118.141 14.202 25.6727 -39.1628 59.1832 1.99681 22.4702 142.781 PRESSAVG: 3151800 -55.3271 -36.9919 27.5733 -36.992 34.4884 -55.5317 27.5734 -55.5318 9.48453 GPRESSAVG: 3151800 -53.2201 -35.5853 26.5375 -37.7327 34.0026 -55.6464 29.0646 -55.9429 7.81059 TIMING: 3151800 CPU: 9492.02, 0.00300438/step Wall: 9492.02, 0.00300438/step, 1.54242 hours remaining, 210.769531 MB of memory in use. ENERGY: 3151800 721.4775 2052.7067 1925.5373 116.1137 -206128.8902 17779.0086 0.0000 0.0000 34283.4252 -149250.6211 299.4057 -183534.0464 -149156.5234 299.2082 -23.2431 10.8150 558663.7960 -3.7847 -3.8023 PRESSURE: 3152000 123.695 -48.3972 2.60662 -48.3967 -236.184 97.9411 2.60679 97.9398 -35.9077 GPRESSURE: 3152000 151.444 28.2552 -49.5309 -86.8019 -211.192 122.917 49.4939 60.5183 18.5094 PRESSAVG: 3152000 -31.4774 -91.3715 12.4732 -91.3715 113.769 39.2475 12.4732 39.2473 -40.8771 GPRESSAVG: 3152000 -33.3989 -90.4144 12.2323 -92.9555 113.838 38.134 12.128 39.5432 -39.4586 TIMING: 3152000 CPU: 9492.63, 0.00301715/step Wall: 9492.63, 0.00301715/step, 1.5488 hours remaining, 210.769531 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: 3152000 728.0037 2039.4406 1929.2154 118.6206 -205944.3664 17730.2977 0.0000 0.0000 34153.8854 -149244.9031 298.2744 -183398.7885 -149149.7211 298.9486 -49.4656 -13.7462 558703.6882 13.8048 13.6603 PRESSURE: 3152200 -19.6626 -38.4127 9.87065 -38.4126 96.8757 -124.326 9.87023 -124.326 79.9996 GPRESSURE: 3152200 38.0683 -9.72359 -0.192245 14.7201 93.1724 -109.912 -41.7307 -142.958 119.656 PRESSAVG: 3152200 -31.0177 -15.4262 40.6685 -15.4261 22.8819 1.70623 40.6685 1.70635 1.4209 GPRESSAVG: 3152200 -29.6711 -15.1236 41.2387 -13.8097 24.0353 4.39981 39.8242 0.055339 -1.10858 TIMING: 3152200 CPU: 9493.23, 0.0030279/step Wall: 9493.23, 0.0030279/step, 1.55415 hours remaining, 210.972656 MB of memory in use. ENERGY: 3152200 716.2717 2024.0759 1944.6330 106.2615 -206381.3781 18024.0444 0.0000 0.0000 34212.0529 -149354.0386 298.7824 -183566.0915 -149258.1250 299.1773 52.4042 83.6322 559644.7360 -2.2383 -2.2481 LDB: ============= START OF LOAD BALANCING ============== 9496.75 LDB: ============== END OF LOAD BALANCING =============== 9496.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9496.75 LDB: ============= START OF LOAD BALANCING ============== 9497.05 LDB: Largest compute 4802 load 0.030333 is 25.7% of average load 0.118143 LDB: Average compute 0.001732 is 1.5% of average load 0.118143 LDB: TIME 9497.05 LOAD: AVG 0.118143 MAX 0.208378 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.73 MB LDB: TIME 9497.05 LOAD: AVG 0.118143 MAX 0.208378 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.73 MB LDB: TIME 9497.05 LOAD: AVG 0.118143 MAX 0.208378 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.73 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9497.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9497.06 PRESSURE: 3152400 95.748 -40.7981 59.2495 -40.7974 384.857 11.8273 59.2486 11.8277 57.7765 GPRESSURE: 3152400 158.678 76.8922 70.8213 -54.2062 395.672 -6.00115 131.829 13.0732 94.1764 PRESSAVG: 3152400 -53.3676 -77.6871 -3.65176 -77.687 21.3547 42.2144 -3.65177 42.2143 5.69689 GPRESSAVG: 3152400 -53.8398 -79.5859 -4.83746 -79.232 20.1137 41.5959 -2.84754 42.2739 7.38405 TIMING: 3152400 CPU: 9493.84, 0.00303815/step Wall: 9493.84, 0.00303815/step, 1.55925 hours remaining, 208.457031 MB of memory in use. ENERGY: 3152400 721.6808 2004.0851 1961.2248 104.8201 -206612.3251 18230.7266 0.0000 0.0000 34043.6416 -149546.1461 297.3116 -183589.7877 -149452.4484 298.8962 179.4607 216.1754 559440.1539 -8.7720 -8.7807 PRESSURE: 3152600 285.404 -76.3607 1.71665 -76.3605 -42.4102 -61.1074 1.71621 -61.1082 1.68095 GPRESSURE: 3152600 324.645 -119.898 43.496 -20.9835 -26.6 -20.4326 -66.1429 -72.0898 47.5436 PRESSAVG: 3152600 34.7439 13.1139 -6.92312 13.114 -2.88574 24.2274 -6.92316 24.2274 24.4851 GPRESSAVG: 3152600 35.1283 13.4179 -5.60357 11.3434 -2.70731 24.6124 -8.8881 23.6354 23.8488 TIMING: 3152600 CPU: 9494.44, 0.00299264/step Wall: 9494.44, 0.00299264/step, 1.53572 hours remaining, 208.457031 MB of memory in use. ENERGY: 3152600 738.4866 2056.4091 1971.2356 121.4763 -206375.5806 17868.6335 0.0000 0.0000 33958.5983 -149660.7411 296.5689 -183619.3394 -149563.3407 298.1340 81.5584 115.1963 557529.3209 18.7811 18.7566 PRESSURE: 3152800 -21.9512 288.578 -102.775 288.579 137.001 111.712 -102.774 111.713 -108.468 GPRESSURE: 3152800 -32.6007 350.534 -41.9823 214.659 194.018 74.0083 -18.3801 165.012 -60.8871 PRESSAVG: 3152800 -54.4662 34.2128 -24.7541 34.2129 3.17468 0.830103 -24.7542 0.830028 81.9865 GPRESSAVG: 3152800 -54.1954 36.0432 -24.3495 35.7808 2.69095 -0.971309 -22.5586 2.29973 82.1747 TIMING: 3152800 CPU: 9495.04, 0.00300753/step Wall: 9495.04, 0.00300753/step, 1.5432 hours remaining, 208.457031 MB of memory in use. ENERGY: 3152800 730.2150 2040.6587 1941.7344 117.4580 -206627.1474 17990.1748 0.0000 0.0000 34216.2778 -149590.6287 298.8193 -183806.9064 -149498.0923 298.2851 2.1939 33.5102 556291.8175 10.2317 10.2234 PRESSURE: 3153000 31.7013 50.4025 95.1432 50.4031 -92.6434 97.4192 95.1434 97.4186 270.295 GPRESSURE: 3153000 45.4031 138.033 113.238 14.3185 -46.2902 115.839 85.0417 30.2666 305.596 PRESSAVG: 3153000 -39.6525 47.9279 -21.7984 47.9279 -18.4641 34.3906 -21.7985 34.3906 31.8106 GPRESSAVG: 3153000 -39.1276 45.4764 -22.1296 48.8298 -19.2026 35.4704 -21.5584 34.1469 31.3747 TIMING: 3153000 CPU: 9495.65, 0.00303277/step Wall: 9495.65, 0.00303277/step, 1.55598 hours remaining, 208.757812 MB of memory in use. ENERGY: 3153000 727.0116 2042.7627 1917.1275 108.3552 -206490.6999 17910.9905 0.0000 0.0000 34211.5360 -149572.9164 298.7779 -183784.4524 -149475.7366 299.0651 69.7845 101.5697 556900.5624 -8.7687 -8.9852 PRESSURE: 3153200 -147.804 0.125188 29.7702 0.12526 -6.04108 147.721 29.7698 147.722 12.1258 GPRESSURE: 3153200 -104.537 68.6484 42.6518 27.3144 33.3153 168.522 19.9845 193.078 41.808 PRESSAVG: 3153200 52.7814 20.2034 -11.8927 20.2034 -5.6967 22.0985 -11.8927 22.0986 -41.0523 GPRESSAVG: 3153200 52.9265 22.5652 -12.7786 20.6927 -5.83949 23.3523 -12.2871 21.2916 -41.5405 TIMING: 3153200 CPU: 9496.26, 0.00305028/step Wall: 9496.26, 0.00305028/step, 1.56479 hours remaining, 208.757812 MB of memory in use. ENERGY: 3153200 761.8744 2032.5307 1934.9667 108.8692 -206581.2739 17872.9390 0.0000 0.0000 34328.2712 -149541.8228 299.7973 -183870.0939 -149446.4353 298.8569 -47.2398 -9.8044 556715.2731 2.0108 1.8488 PRESSURE: 3153400 -84.8442 -243.865 -0.383856 -243.865 5.96196 45.103 -0.385336 45.1048 -131.984 GPRESSURE: 3153400 -36.4719 -268.703 28.9659 -238.975 25.0844 16.399 -1.53262 -34.3749 -106.012 PRESSAVG: 3153400 57.2198 13.9902 -23.6562 13.9902 -55.5769 22.0894 -23.6562 22.0894 1.46669 GPRESSAVG: 3153400 57.0967 12.5686 -23.9713 12.6956 -55.4415 18.1604 -23.9634 24.5038 1.34727 TIMING: 3153400 CPU: 9496.86, 0.00301786/step Wall: 9496.86, 0.00301786/step, 1.54799 hours remaining, 208.757812 MB of memory in use. ENERGY: 3153400 720.2660 2105.2326 1951.7990 103.6148 -206469.9083 17663.3445 0.0000 0.0000 34306.2166 -149619.4348 299.6047 -183925.6514 -149527.9171 298.8334 -70.2888 -39.1333 557929.2910 1.0365 1.0008 PRESSURE: 3153600 -41.0494 119.755 69.1976 119.755 -65.9752 -30.7949 69.1976 -30.7957 -18.4408 GPRESSURE: 3153600 30.2572 170.505 125.445 80.4953 -37.5503 21.0112 96.0461 -26.7569 -5.18643 PRESSAVG: 3153600 31.3175 37.4365 21.2186 37.4364 -21.0039 72.0697 21.2186 72.0696 -32.6494 GPRESSAVG: 3153600 31.0408 38.3296 21.5404 39.6297 -20.5456 76.0741 20.2796 70.385 -31.9817 TIMING: 3153600 CPU: 9497.47, 0.00303457/step Wall: 9497.47, 0.00303457/step, 1.5564 hours remaining, 208.757812 MB of memory in use. ENERGY: 3153600 715.9151 2090.2545 1952.7469 125.4005 -206420.9399 17954.6656 0.0000 0.0000 34112.4121 -149469.5451 297.9122 -183581.9572 -149370.8338 298.7325 -41.8218 -4.1598 559235.3261 -7.4453 -7.1622 PRESSURE: 3153800 -50.3875 -111.83 66.6056 -111.829 186.226 5.04381 66.606 5.04424 212.514 GPRESSURE: 3153800 2.1544 -191.041 62.5222 -40.9895 128.326 2.83193 80.1286 -35.8907 312.568 PRESSAVG: 3153800 7.83654 -0.160031 -28.8959 -0.159968 44.0145 -6.24088 -28.8959 -6.24093 -64.2512 GPRESSAVG: 3153800 8.66025 -0.358669 -30.236 -1.22503 43.5621 -7.3895 -26.842 -3.27021 -64.1644 TIMING: 3153800 CPU: 9498.07, 0.00302805/step Wall: 9498.07, 0.00302805/step, 1.55289 hours remaining, 208.757812 MB of memory in use. ENERGY: 3153800 704.4933 2110.1703 1967.9839 101.8238 -206547.4199 17936.2148 0.0000 0.0000 34232.0492 -149494.6846 298.9570 -183726.7337 -149391.6788 298.6016 116.1175 147.6829 557679.4489 -4.1334 -3.9807 PRESSURE: 3154000 33.765 117.438 -58.6844 117.44 -295.883 19.2417 -58.6841 19.2416 32.729 GPRESSURE: 3154000 55.6651 112.523 -78.5112 33.8062 -237.104 -18.0586 -70.1187 83.5839 54.076 PRESSAVG: 3154000 -17.7055 6.46429 3.54705 6.46436 12.7086 13.0752 3.54705 13.0753 30.2564 GPRESSAVG: 3154000 -17.2799 6.64086 5.9438 5.99681 12.2802 11.3621 2.23174 12.0461 30.2901 TIMING: 3154000 CPU: 9498.67, 0.00299613/step Wall: 9498.67, 0.00299613/step, 1.53635 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: 3154000 761.6258 2084.5231 1987.8431 109.2126 -206507.3679 17634.4279 0.0000 0.0000 34362.9994 -149566.7360 300.1006 -183929.7355 -149472.9428 298.2944 -76.4629 -42.4544 557358.5018 8.4198 8.4301 PRESSURE: 3154200 225.926 -182.048 -66.7275 -182.048 242.908 117.039 -66.728 117.039 134.583 GPRESSURE: 3154200 205.797 -138.731 -85.671 -257.895 256.408 47.1196 -60.6947 146.768 234.001 PRESSAVG: 3154200 22.1341 -17.7463 -47.6065 -17.7462 -52.5084 1.93992 -47.6065 1.93982 3.54085 GPRESSAVG: 3154200 22.8932 -19.6425 -48.5502 -16.625 -53.0195 3.91093 -48.2089 0.953087 3.35849 TIMING: 3154200 CPU: 9499.27, 0.00299483/step Wall: 9499.27, 0.00299483/step, 1.53552 hours remaining, 208.757812 MB of memory in use. ENERGY: 3154200 735.6839 2161.9088 1937.3414 110.9947 -206748.1916 18201.9953 0.0000 0.0000 34188.6854 -149411.5822 298.5783 -183600.2675 -149321.7027 298.8613 201.1386 232.0687 558281.1940 -8.9445 -8.9226 PRESSURE: 3154400 -266.871 126.59 108.69 126.59 -23.7549 26.0756 108.689 26.0752 -2.07639 GPRESSURE: 3154400 -194.351 203.451 167.658 116.811 -66.111 -37.5505 35.6488 67.7944 50.4582 PRESSAVG: 3154400 -35.701 -20.9268 -23.6785 -20.9267 -29.7716 25.4157 -23.6785 25.4158 68.0602 GPRESSAVG: 3154400 -36.1875 -19.1091 -24.7715 -21.8344 -29.5078 24.3182 -23.3303 25.9993 68.0422 TIMING: 3154400 CPU: 9499.87, 0.00301191/step Wall: 9499.87, 0.00301191/step, 1.54411 hours remaining, 208.757812 MB of memory in use. ENERGY: 3154400 752.5371 2144.2016 1931.6922 121.4302 -206075.2468 17534.0972 0.0000 0.0000 34245.3907 -149345.8978 299.0735 -183591.2885 -149243.5762 298.6523 -97.5673 -70.0012 557717.7076 0.8625 0.7823 PRESSURE: 3154600 -66.9915 -119.048 109.012 -119.046 173.451 -7.85369 109.012 -7.85245 314.779 GPRESSURE: 3154600 2.27456 -83.4108 54.8343 -141.074 232.358 -36.0832 73.5161 -67.8014 289.761 PRESSAVG: 3154600 -42.8674 -30.5469 7.35006 -30.5469 53.1997 -4.49225 7.35004 -4.49228 -10.9829 GPRESSAVG: 3154600 -45.013 -33.574 7.73177 -28.6258 54.6891 -3.62674 6.88047 -5.54184 -10.0595 TIMING: 3154600 CPU: 9500.48, 0.00302744/step Wall: 9500.48, 0.00302744/step, 1.5519 hours remaining, 208.757812 MB of memory in use. ENERGY: 3154600 748.2675 2004.0766 1949.9219 106.2783 -206563.6860 18131.4807 0.0000 0.0000 34204.3910 -149419.2700 298.7155 -183623.6610 -149326.6074 298.8647 140.4127 174.7978 558946.8298 -0.2169 -0.1278 PRESSURE: 3154800 -172.65 101.124 -89.6519 101.122 12.1533 19.3785 -89.6517 19.38 -309.179 GPRESSURE: 3154800 -131.075 68.9139 -129.526 55.7577 32.7657 -78.4503 -79.6747 28.37 -278.63 PRESSAVG: 3154800 27.8121 3.31089 30.1961 3.31081 7.91357 -21.8272 30.1961 -21.8272 -5.22054 GPRESSAVG: 3154800 28.7987 7.17099 31.3948 0.276409 8.01696 -21.9094 31.1453 -23.4334 -5.95935 TIMING: 3154800 CPU: 9501.08, 0.00300417/step Wall: 9501.08, 0.00300417/step, 1.5398 hours remaining, 208.757812 MB of memory in use. ENERGY: 3154800 747.8796 2037.9240 1921.1508 115.4168 -206303.0107 17648.4836 0.0000 0.0000 34337.4955 -149494.6605 299.8779 -183832.1560 -149398.6625 298.2214 -156.5584 -125.6466 558031.0186 10.1684 10.2854 PRESSURE: 3155000 -80.617 -70.4252 -63.7734 -70.4257 237.289 84.7326 -63.7731 84.7331 -190.699 GPRESSURE: 3155000 -84.3225 -12.3508 -18.0698 -102.668 307.385 170.744 -169.958 135.145 -161.922 PRESSAVG: 3155000 11.5683 10.826 8.08586 10.8259 43.647 35.8879 8.08594 35.8879 -33.0313 GPRESSAVG: 3155000 12.4914 8.75251 7.6094 12.7369 42.5337 35.4224 7.33697 35.8723 -32.2047 TIMING: 3155000 CPU: 9501.68, 0.00299875/step Wall: 9501.68, 0.00299875/step, 1.53686 hours remaining, 208.757812 MB of memory in use. ENERGY: 3155000 717.5355 2021.4021 1925.5914 123.4828 -206271.8132 17798.0158 0.0000 0.0000 34139.0567 -149546.7290 298.1449 -183685.7857 -149446.6452 298.5054 -11.3423 20.3801 557135.5014 7.3946 7.6068 PRESSURE: 3155200 44.3836 -32.5133 38.3059 -32.5122 113.368 24.498 38.3052 24.4996 -98.4065 GPRESSURE: 3155200 84.7321 30.6112 20.3387 -66.7079 158.106 -1.36966 80.347 90.1345 -88.6141 PRESSAVG: 3155200 10.9168 -21.7399 6.22726 -21.74 21.6094 0.412962 6.22718 0.413036 -41.5473 GPRESSAVG: 3155200 10.1706 -21.8544 7.19185 -22.8552 21.781 -0.552301 6.71401 -0.0530575 -41.3186 TIMING: 3155200 CPU: 9502.28, 0.00299945/step Wall: 9502.28, 0.00299945/step, 1.53705 hours remaining, 208.757812 MB of memory in use. ENERGY: 3155200 723.8175 2085.9776 1960.8086 117.6077 -206355.8683 17842.0265 0.0000 0.0000 34000.9237 -149624.7067 296.9385 -183625.6304 -149524.7659 298.2864 19.7817 51.4080 556946.9859 -3.0070 -3.1223 PRESSURE: 3155400 -195.137 37.6895 122.783 37.6897 -137.672 -35.0251 122.783 -35.0253 -207.271 GPRESSURE: 3155400 -192.129 39.9027 73.7797 51.134 -77.2544 -40.1208 122.384 -49.8436 -174.867 PRESSAVG: 3155400 11.7446 -13.5251 -35.3526 -13.5252 3.41198 4.3437 -35.3525 4.34373 26.9142 GPRESSAVG: 3155400 11.3238 -13.2738 -35.5132 -14.4808 4.31044 5.68965 -33.4022 7.32915 26.6595 TIMING: 3155400 CPU: 9502.89, 0.00302783/step Wall: 9502.89, 0.00302783/step, 1.55143 hours remaining, 208.757812 MB of memory in use. ENERGY: 3155400 731.1492 2063.5733 1933.9213 110.5032 -206466.6282 17752.5693 0.0000 0.0000 34203.6547 -149671.2573 298.7090 -183874.9119 -149574.7607 297.9085 -180.0265 -148.0835 556954.6447 14.0236 14.0979 PRESSURE: 3155600 -151.45 -46.7235 -167.02 -46.7236 -81.7666 165.167 -167.022 165.168 -3.40712 GPRESSURE: 3155600 -123.258 -17.4565 -180.157 -130.193 -15.1123 197.48 -57.0147 138.225 -1.23733 PRESSAVG: 3155600 35.0862 4.81157 -63.0547 4.81163 1.96019 42.264 -63.0548 42.2639 -2.78608 GPRESSAVG: 3155600 35.991 5.77314 -64.2551 6.16045 0.866752 41.4184 -64.9071 41.1458 -2.96938 TIMING: 3155600 CPU: 9503.48, 0.00298417/step Wall: 9503.48, 0.00298417/step, 1.52889 hours remaining, 208.757812 MB of memory in use. ENERGY: 3155600 751.2464 2118.3262 1961.9049 101.4310 -206409.2268 17734.2797 0.0000 0.0000 33963.8726 -149778.1661 296.6149 -183742.0386 -149677.3313 298.1569 -78.8747 -46.5358 557124.8038 11.4201 11.2961 PRESSURE: 3155800 -68.5733 50.4625 -0.549103 50.4625 122.684 -74.0464 -0.548955 -74.0462 -63.4962 GPRESSURE: 3155800 -10.9355 -12.8627 -46.0163 16.3867 120.462 -36.7754 -9.4561 -173.274 -40.1579 PRESSAVG: 3155800 -3.63966 25.6565 13.0143 25.6565 -54.2993 -3.91351 13.0143 -3.91352 30.6639 GPRESSAVG: 3155800 -3.91073 24.8372 14.1753 24.812 -53.8462 -2.90063 12.1492 -3.3063 30.6044 TIMING: 3155800 CPU: 9504.08, 0.00300363/step Wall: 9504.08, 0.00300363/step, 1.53869 hours remaining, 208.757812 MB of memory in use. ENERGY: 3155800 755.4428 2057.2429 1907.0353 108.3134 -206450.4266 17831.9545 0.0000 0.0000 34176.4768 -149613.9610 298.4717 -183790.4378 -149512.6038 298.3839 -3.1286 23.1229 555789.7896 -9.0917 -9.0508 PRESSURE: 3156000 110.057 -30.3884 55.7369 -30.3879 -48.1309 66.6318 55.736 66.6319 118.063 GPRESSURE: 3156000 112.497 -33.2822 -14.4106 9.2059 -33.9322 74.232 61.8428 107.873 195.371 PRESSAVG: 3156000 1.20329 23.5534 -7.5369 23.5535 -57.4373 23.1364 -7.53701 23.1365 40.5392 GPRESSAVG: 3156000 1.571 24.0031 -9.67577 25.8178 -57.162 19.7659 -4.90836 22.5287 39.3991 TIMING: 3156000 CPU: 9504.68, 0.00297884/step Wall: 9504.68, 0.00297884/step, 1.52583 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: 3156000 752.0833 2101.9400 1953.0751 100.0571 -206503.2262 17870.2601 0.0000 0.0000 33935.1548 -149790.6559 296.3641 -183725.8106 -149690.7236 298.1884 59.9964 91.3119 555489.1874 -5.2316 -5.3973 PRESSURE: 3156200 -10.3143 -137.54 94.7534 -137.541 -181.364 -8.86386 94.7547 -8.86456 12.425 GPRESSURE: 3156200 -21.6052 -176.115 44.1509 -62.3186 -113.765 -101.651 83.9634 -27.8215 58.5107 PRESSAVG: 3156200 20.6654 18.8873 21.425 18.8872 -43.1747 -14.8366 21.4249 -14.8367 -18.2523 GPRESSAVG: 3156200 20.1128 18.8879 22.0474 18.8925 -42.957 -13.8135 20.5709 -16.4413 -17.4396 TIMING: 3156200 CPU: 9505.27, 0.00297493/step Wall: 9505.27, 0.00297493/step, 1.52366 hours remaining, 208.757812 MB of memory in use. ENERGY: 3156200 742.0803 2067.3070 1939.7353 109.4076 -206636.0188 17930.9953 0.0000 0.0000 34144.3831 -149702.1103 298.1914 -183846.4934 -149594.9585 297.5091 -59.7512 -25.6198 556116.9167 -13.5872 -13.4279 LDB: ============= START OF LOAD BALANCING ============== 9508.79 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9508.79 LDB: =============== DONE WITH MIGRATION ================ 9508.79 LDB: ============= START OF LOAD BALANCING ============== 9509.09 LDB: Largest compute 4802 load 0.029798 is 25.2% of average load 0.118101 LDB: Average compute 0.001736 is 1.5% of average load 0.118101 LDB: TIME 9509.1 LOAD: AVG 0.118101 MAX 0.21047 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.969 MB LDB: TIME 9509.1 LOAD: AVG 0.118101 MAX 0.21047 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.172 MB LDB: TIME 9509.1 LOAD: AVG 0.118101 MAX 0.21047 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.172 MB LDB: ============== END OF LOAD BALANCING =============== 9509.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9509.1 PRESSURE: 3156400 167.066 35.5234 122.467 35.5241 -160.308 -127.198 122.466 -127.199 -289.437 GPRESSURE: 3156400 176.421 32.1995 96.4111 5.5362 -160.895 4.10903 126.161 -231.985 -204.382 PRESSAVG: 3156400 -8.48823 -38.1879 68.4701 -38.1879 -62.8968 -20.3136 68.47 -20.3137 90.5067 GPRESSAVG: 3156400 -7.91074 -38.2833 69.1409 -40.0206 -63.8807 -20.6219 68.2958 -17.8466 90.7984 TIMING: 3156400 CPU: 9505.89, 0.00305917/step Wall: 9505.89, 0.00305916/step, 1.56663 hours remaining, 209.828125 MB of memory in use. ENERGY: 3156400 716.3053 2131.7195 1941.7123 119.6032 -206554.3745 17678.1890 0.0000 0.0000 34351.8864 -149614.9587 300.0036 -183966.8451 -149513.9157 299.0343 -94.2262 -62.9517 556615.2910 6.3739 6.3356 PRESSURE: 3156600 -16.5266 89.0848 157.758 89.0844 3.13089 -155.247 157.758 -155.248 -65.326 GPRESSURE: 3156600 59.7182 115.279 179.545 1.36912 53.8887 -175.832 139.496 -136.086 -86.4563 PRESSAVG: 3156600 3.66959 33.3831 49.167 33.383 -0.480682 20.054 49.167 20.054 7.20655 GPRESSAVG: 3156600 4.1875 32.9952 49.0858 33.6689 0.496954 21.9627 48.2652 19.4628 6.12858 TIMING: 3156600 CPU: 9506.49, 0.00301131/step Wall: 9506.49, 0.00301131/step, 1.54196 hours remaining, 209.828125 MB of memory in use. ENERGY: 3156600 716.9831 2141.2866 1914.9236 121.3354 -206520.8291 17809.4767 0.0000 0.0000 34309.2386 -149507.5852 299.6311 -183816.8237 -149407.3439 298.7539 -26.2406 9.0502 557646.2825 3.4652 3.6043 PRESSURE: 3156800 252.866 200.336 -93.09 200.336 -68.076 -28.0597 -93.089 -28.0592 -98.3994 GPRESSURE: 3156800 203.785 234.064 -155.911 103.927 10.8293 18.6851 -70.5992 -139.448 -24.6759 PRESSAVG: 3156800 20.454 39.2502 45.6716 39.2501 1.89164 -14.4673 45.6717 -14.4674 -21.5786 GPRESSAVG: 3156800 20.6923 39.0215 44.7161 39.9215 0.964074 -15.3256 46.2255 -13.8681 -20.878 TIMING: 3156800 CPU: 9507.09, 0.00299919/step Wall: 9507.09, 0.00299919/step, 1.53558 hours remaining, 209.828125 MB of memory in use. ENERGY: 3156800 761.1475 2125.7856 1938.7284 112.6124 -206248.1583 17816.5495 0.0000 0.0000 34165.4978 -149327.8371 298.3758 -183493.3349 -149235.7358 298.7348 28.7968 63.3127 557143.3802 0.2557 0.2594 PRESSURE: 3157000 170.048 22.3817 226.745 22.3838 -39.6414 -59.0111 226.744 -59.012 75.0382 GPRESSURE: 3157000 204.706 119.038 159.899 -57.2987 22.3692 -22.6716 237.715 -98.0802 77.078 PRESSAVG: 3157000 -30.9478 39.263 0.972819 39.2631 -11.9009 -52.9379 0.97274 -52.9379 19.7953 GPRESSAVG: 3157000 -31.0648 40.7977 0.369542 38.3509 -11.4829 -51.7516 0.319365 -53.2105 19.6717 TIMING: 3157000 CPU: 9507.69, 0.00301877/step Wall: 9507.69, 0.00301877/step, 1.54544 hours remaining, 209.828125 MB of memory in use. ENERGY: 3157000 762.9079 2103.5976 1924.8158 113.1874 -206361.3014 17970.4656 0.0000 0.0000 34287.9078 -149198.4194 299.4448 -183486.3272 -149099.3541 299.2774 68.4815 101.3844 557700.9089 -7.6845 -7.6253 PRESSURE: 3157200 123.335 -25.5926 25.1077 -25.5937 -273.425 -148.577 25.1069 -148.577 -1.38695 GPRESSURE: 3157200 125.929 -24.841 -64.5115 -46.0277 -206.581 -186.198 66.3544 -96.7026 22.0688 PRESSAVG: 3157200 -27.7156 32.1327 21.1308 32.1326 66.831 -46.0463 21.1308 -46.0463 -34.2755 GPRESSAVG: 3157200 -27.4835 31.6049 22.6187 31.5868 67.1535 -48.4043 19.1315 -43.4442 -34.6458 TIMING: 3157200 CPU: 9508.29, 0.00298676/step Wall: 9508.29, 0.00298676/step, 1.52889 hours remaining, 209.828125 MB of memory in use. ENERGY: 3157200 755.7420 2055.4178 1948.7479 107.9234 -206077.4105 17738.8406 0.0000 0.0000 34375.1088 -149095.6300 300.2064 -183470.7388 -148993.8522 299.6417 -50.4922 -19.5279 558167.8582 1.6133 1.6747 PRESSURE: 3157400 -52.2395 165.377 173.676 165.378 115.192 22.9141 173.677 22.9138 -197.238 GPRESSURE: 3157400 14.4109 108.265 189.092 153.963 96.4461 -78.7446 85.5325 73.3989 -146.887 PRESSAVG: 3157400 -17.6772 67.9715 -1.93524 67.9714 23.3398 -25.7765 -1.93522 -25.7765 15.7056 GPRESSAVG: 3157400 -18.17 67.2569 -1.79648 68.6908 22.1559 -28.0435 -1.11074 -25.76 16.7359 TIMING: 3157400 CPU: 9508.89, 0.0030112/step Wall: 9508.89, 0.0030112/step, 1.54123 hours remaining, 210.031250 MB of memory in use. ENERGY: 3157400 760.4727 2076.3148 1945.9302 101.9630 -206016.7857 17722.6347 0.0000 0.0000 34329.5507 -149079.9197 299.8085 -183409.4704 -148978.8844 299.6594 -44.7618 -12.0100 558496.6354 7.1228 6.9073 PRESSURE: 3157600 60.8896 101.528 106.891 101.527 -13.8975 -45.0427 106.891 -45.0429 155.307 GPRESSURE: 3157600 40.6422 75.7989 140.032 168.053 66.8598 -87.1161 76.9272 -2.95427 181.38 PRESSAVG: 3157600 -18.58 56.7949 37.9059 56.795 -38.5251 -26.1652 37.9058 -26.1652 30.0997 GPRESSAVG: 3157600 -18.9447 56.1271 37.662 59.0895 -37.7427 -21.8185 40.4186 -27.1525 30.1994 TIMING: 3157600 CPU: 9509.49, 0.00301128/step Wall: 9509.49, 0.00301128/step, 1.54111 hours remaining, 210.031250 MB of memory in use. ENERGY: 3157600 720.2070 2097.8644 1940.4915 113.0737 -206251.5798 18053.9370 0.0000 0.0000 34393.9362 -148932.0698 300.3708 -183326.0060 -148840.4646 300.2114 67.4332 96.2941 558542.4071 -9.0018 -8.8293 PRESSURE: 3157800 172.769 7.64601 36.8604 7.64539 29.8602 -44.3116 36.86 -44.3101 91.837 GPRESSURE: 3157800 152.905 -20.2834 28.6689 2.44582 124.671 -22.9923 59.1081 -29.3739 96.3052 PRESSAVG: 3157800 25.3434 25.7701 30.5703 25.7701 -19.003 -32.9027 30.5703 -32.9027 29.6872 GPRESSAVG: 3157800 26.5224 25.2391 30.8715 22.4688 -19.419 -32.8371 30.0863 -34.6956 28.6359 TIMING: 3157800 CPU: 9510.09, 0.00300598/step Wall: 9510.09, 0.00300598/step, 1.53823 hours remaining, 210.031250 MB of memory in use. ENERGY: 3157800 759.3460 2121.0589 1933.8622 117.3162 -206173.7404 17837.4881 0.0000 0.0000 34436.2090 -148968.4600 300.7400 -183404.6690 -148869.6272 300.2768 98.1555 124.6270 556168.1826 12.0092 11.9131 PRESSURE: 3158000 -42.6386 -115.188 75.8942 -115.188 122.163 -230.872 75.8937 -230.872 -260.786 GPRESSURE: 3158000 -63.9107 -44.7654 54.5332 -82.8934 140.298 -174.231 128.385 -238.672 -165.853 PRESSAVG: 3158000 -6.03565 1.00421 -28.4604 1.00424 -8.24709 -26.7352 -28.4604 -26.7351 37.0131 GPRESSAVG: 3158000 -6.10509 3.77732 -27.362 1.71969 -8.56646 -27.4796 -29.53 -26.7082 37.4099 TIMING: 3158000 CPU: 9510.7, 0.00302782/step Wall: 9510.7, 0.00302782/step, 1.54924 hours remaining, 210.167969 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: 3158000 719.4605 2094.2190 1944.7810 124.7092 -205728.6032 17600.0328 0.0000 0.0000 34310.1073 -148935.2935 299.6387 -183245.4008 -148834.7186 299.9701 -60.4208 -29.8220 557515.7088 7.5768 7.5794 PRESSURE: 3158200 72.9432 10.7032 55.7366 10.7027 52.1385 -29.7915 55.7359 -29.7912 255.289 GPRESSURE: 3158200 91.0229 85.2146 69.2126 -15.5268 88.2593 16.109 75.4633 87.2092 292.573 PRESSAVG: 3158200 -34.5407 56.251 -11.1042 56.251 13.8135 -7.31696 -11.1043 -7.3169 35.639 GPRESSAVG: 3158200 -36.195 54.507 -10.4536 56.91 14.3621 -7.07171 -12.0198 -6.8541 36.3692 TIMING: 3158200 CPU: 9511.3, 0.00301045/step Wall: 9511.3, 0.00301045/step, 1.54018 hours remaining, 210.167969 MB of memory in use. ENERGY: 3158200 722.7268 2088.4291 1951.1593 115.2943 -206140.8035 17842.9842 0.0000 0.0000 34489.4705 -148930.7392 301.2051 -183420.2097 -148838.6874 301.1940 126.7902 157.2851 557001.0401 4.9706 4.8454 PRESSURE: 3158400 319.64 42.4073 49.8368 42.4072 -50.6053 -115.2 49.8361 -115.2 -1.77433 GPRESSURE: 3158400 343.175 85.2383 54.2874 17.4091 -6.14869 -175.726 19.0877 -61.6769 29.8861 PRESSAVG: 3158400 -51.2569 -22.3731 20.8107 -22.3732 74.6178 -28.6873 20.8107 -28.6873 27.4163 GPRESSAVG: 3158400 -50.5186 -23.7303 22.3222 -21.9647 74.7805 -28.0342 19.4326 -29.9002 26.5543 TIMING: 3158400 CPU: 9511.91, 0.00304561/step Wall: 9511.91, 0.00304561/step, 1.558 hours remaining, 210.167969 MB of memory in use. ENERGY: 3158400 744.2439 2019.1015 1924.2749 137.3455 -206068.7067 17897.2147 0.0000 0.0000 34389.3673 -148957.1589 300.3309 -183346.5262 -148864.3332 300.4391 89.0868 122.3042 556637.2163 16.9257 16.9387 PRESSURE: 3158600 130.282 -0.333073 -16.4325 -0.332108 -180.45 -172.751 -16.4329 -172.749 264.317 GPRESSURE: 3158600 150.56 -57.599 -55.5969 -2.90559 -79.8467 -162.571 56.4372 -171.69 242.058 PRESSAVG: 3158600 -9.83423 -21.2609 -32.4591 -21.2608 -51.5162 -73.7645 -32.4593 -73.7644 37.0908 GPRESSAVG: 3158600 -9.41134 -20.5023 -35.6156 -21.1649 -51.7906 -74.2684 -29.1241 -72.9177 36.5844 TIMING: 3158600 CPU: 9512.52, 0.00303203/step Wall: 9512.52, 0.00303203/step, 1.55088 hours remaining, 210.167969 MB of memory in use. ENERGY: 3158600 741.8279 2071.5013 1929.7675 111.4794 -205890.0461 17669.2650 0.0000 0.0000 34200.3645 -149165.8406 298.6803 -183366.2051 -149066.8443 299.7504 71.3831 104.2571 557687.7064 -8.0865 -8.2059 PRESSURE: 3158800 176.585 11.4361 102.299 11.4377 -19.6277 35.2736 102.301 35.2723 8.50789 GPRESSURE: 3158800 201.664 15.1856 65.8908 -0.247645 -36.7331 32.0954 70.9134 -19.7197 98.1323 PRESSAVG: 3158800 -1.18831 6.42781 15.8532 6.4278 -91.2113 -44.7896 15.8531 -44.7894 69.532 GPRESSAVG: 3158800 -1.73727 7.40133 16.76 4.50667 -91.3394 -44.8806 15.2666 -44.3533 70.5373 TIMING: 3158800 CPU: 9513.12, 0.00301301/step Wall: 9513.12, 0.00301301/step, 1.54098 hours remaining, 210.167969 MB of memory in use. ENERGY: 3158800 756.7183 2118.1632 1918.7040 118.2682 -206072.2237 17790.2491 0.0000 0.0000 34280.1051 -149090.0158 299.3767 -183370.1209 -149004.6333 299.1756 55.1551 87.6877 556766.8759 -7.6225 -7.5131 PRESSURE: 3159000 -195.689 105.689 -152.167 105.69 51.5631 21.9958 -152.167 21.9944 366.892 GPRESSURE: 3159000 -132.262 36.288 -116.322 130.1 74.0119 92.3429 -138.053 -49.999 380.384 PRESSAVG: 3159000 35.5208 36.6754 -11.0134 36.6754 -37.7321 -8.60732 -11.0135 -8.60735 15.2077 GPRESSAVG: 3159000 35.3532 34.7847 -11.3162 38.8864 -36.6668 -10.0192 -12.6059 -7.66874 14.317 TIMING: 3159000 CPU: 9513.72, 0.00301427/step Wall: 9513.72, 0.00301427/step, 1.54146 hours remaining, 210.167969 MB of memory in use. ENERGY: 3159000 736.7705 2022.6911 1927.2585 100.2853 -206249.5606 17943.9328 0.0000 0.0000 34371.5461 -149147.0762 300.1753 -183518.6223 -149055.8640 299.3554 74.2554 107.3779 557752.1491 4.3322 4.3345 PRESSURE: 3159200 48.2056 159.654 -21.5594 159.653 -118.239 54.9556 -21.5593 54.9552 152.555 GPRESSURE: 3159200 114.688 113.347 77.2454 230.979 -120.282 83.1974 -81.7779 21.1533 188.659 PRESSAVG: 3159200 -43.1783 17.6565 14.2387 17.6565 -60.0737 -62.952 14.2387 -62.9519 129.058 GPRESSAVG: 3159200 -42.7267 19.582 13.8782 16.4954 -61.5625 -62.2109 14.1554 -63.5369 129.667 TIMING: 3159200 CPU: 9514.33, 0.00303792/step Wall: 9514.33, 0.00303792/step, 1.55339 hours remaining, 210.167969 MB of memory in use. ENERGY: 3159200 755.1863 2056.4571 1931.4154 105.2574 -206378.3578 17797.7002 0.0000 0.0000 34403.0155 -149329.3258 300.4501 -183732.3413 -149231.5344 299.1117 27.5073 61.0218 557299.7325 8.6019 8.4593 PRESSURE: 3159400 -294.751 186.404 138.067 186.405 -93.805 126.487 138.067 126.486 -31.0219 GPRESSURE: 3159400 -262.096 159.582 82.1881 280.355 -44.3854 163.394 173.948 83.7851 1.4772 PRESSAVG: 3159400 66.7891 -5.74629 31.282 -5.74628 -64.0432 3.92902 31.282 3.92897 -10.7098 GPRESSAVG: 3159400 67.3451 -8.69051 30.9005 -3.23426 -64.3834 3.23142 30.8318 4.75431 -11.3461 TIMING: 3159400 CPU: 9514.93, 0.00300514/step Wall: 9514.93, 0.00300514/step, 1.53646 hours remaining, 210.167969 MB of memory in use. ENERGY: 3159400 764.9465 2041.5398 1937.9100 95.0798 -206179.7037 17630.7169 0.0000 0.0000 34306.9233 -149402.5872 299.6109 -183709.5106 -149302.0835 298.8388 -139.8594 -101.6681 558877.2520 -2.6546 -2.7948 PRESSURE: 3159600 71.1844 -21.3809 -58.3319 -21.3808 132.9 55.3475 -58.3319 55.3479 52.5847 GPRESSURE: 3159600 65.4176 -9.18139 -59.4594 12.0164 174.069 59.8649 -36.6536 60.0324 107.74 PRESSAVG: 3159600 -9.66733 66.0087 85.2181 66.0086 -43.5529 -69.709 85.2181 -69.7089 45.4697 GPRESSAVG: 3159600 -11.6619 66.8094 85.3284 63.9602 -41.7453 -67.8176 85.3856 -72.3374 45.434 TIMING: 3159600 CPU: 9515.53, 0.0029991/step Wall: 9515.53, 0.0029991/step, 1.53321 hours remaining, 210.167969 MB of memory in use. ENERGY: 3159600 756.0891 2057.7870 1932.1240 116.5383 -206448.4797 18196.1184 0.0000 0.0000 34184.0270 -149205.7960 298.5376 -183389.8229 -149120.7467 299.1650 85.5565 115.7424 558318.2800 -2.5835 -2.6577 PRESSURE: 3159800 -7.0093 -67.6341 22.6795 -67.6339 -80.1911 -66.0219 22.679 -66.0213 -57.4869 GPRESSURE: 3159800 -10.612 -24.2546 99.0749 -121.332 -30.3128 -96.972 -66.1671 -24.9959 -6.01863 PRESSAVG: 3159800 -17.3913 -17.8511 8.54437 -17.851 -55.7741 -13.3969 8.54425 -13.3968 49.9655 GPRESSAVG: 3159800 -16.0478 -17.1927 8.05521 -17.5356 -57.9974 -15.1109 9.20563 -12.7907 50.1371 TIMING: 3159800 CPU: 9516.14, 0.00302171/step Wall: 9516.14, 0.00302171/step, 1.5446 hours remaining, 210.167969 MB of memory in use. ENERGY: 3159800 726.3810 2063.3382 1961.3897 106.0395 -205944.4592 17717.9932 0.0000 0.0000 34097.2555 -149272.0621 297.7798 -183369.3176 -149176.5654 299.3207 -48.2291 -15.6478 557932.3799 -7.7333 -7.9694 PRESSURE: 3160000 114.929 -18.5657 2.00509 -18.5648 66.7033 -79.917 2.00521 -79.9182 -308.089 GPRESSURE: 3160000 130.554 -46.8293 0.397637 66.936 34.6382 -86.4698 -64.275 -132.212 -189.525 PRESSAVG: 3160000 -25.3356 72.8274 25.4444 72.8275 -13.1647 -15.8026 25.4443 -15.8027 48.573 GPRESSAVG: 3160000 -25.3683 72.8454 26.8337 72.2782 -12.5887 -15.7065 22.1143 -14.8491 47.6898 TIMING: 3160000 CPU: 9516.73, 0.00298572/step Wall: 9516.73, 0.00298572/step, 1.52604 hours remaining, 210.167969 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: 3160000 696.4726 2068.0096 1936.2826 98.0253 -205972.0159 17667.2708 0.0000 0.0000 34405.9316 -149100.0233 300.4756 -183505.9549 -148999.3334 299.5255 -42.1524 -8.1111 557961.2106 3.3576 3.2442 PRESSURE: 3160200 -31.6391 -13.0928 44.0154 -13.0919 -54.1434 97.55 44.016 97.5489 -105.348 GPRESSURE: 3160200 67.2825 46.6908 87.8655 -15.7122 -4.40402 142.747 66.7037 -33.7868 -151.401 PRESSAVG: 3160200 26.1732 31.0387 8.87515 31.0387 1.67616 2.92291 8.8752 2.92295 2.35922 GPRESSAVG: 3160200 26.6828 29.7678 6.49819 29.8077 2.01231 2.18247 12.3376 3.38733 1.98241 TIMING: 3160200 CPU: 9517.33, 0.00299638/step Wall: 9517.33, 0.00299638/step, 1.53132 hours remaining, 210.167969 MB of memory in use. ENERGY: 3160200 774.0068 2074.0523 1942.0538 104.2027 -206393.7200 17961.0516 0.0000 0.0000 34191.2542 -149347.0987 298.6007 -183538.3529 -149261.9326 299.6661 -63.7100 -29.5074 556159.9633 10.0695 10.2259 LDB: ============= START OF LOAD BALANCING ============== 9520.85 LDB: ============== END OF LOAD BALANCING =============== 9520.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9520.85 LDB: ============= START OF LOAD BALANCING ============== 9521.15 LDB: Largest compute 4802 load 0.031988 is 27.1% of average load 0.118097 LDB: Average compute 0.001731 is 1.5% of average load 0.118097 LDB: TIME 9521.15 LOAD: AVG 0.118097 MAX 0.209344 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.266 MB LDB: TIME 9521.15 LOAD: AVG 0.118097 MAX 0.209344 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.266 MB LDB: TIME 9521.15 LOAD: AVG 0.118097 MAX 0.209344 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.266 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9521.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9521.15 PRESSURE: 3160400 123.729 -90.6593 123.846 -90.6608 -171.756 121.326 123.846 121.326 -86.1697 GPRESSURE: 3160400 166.841 -65.7863 197.031 -139.798 -195.327 14.0273 132.659 203.745 8.6318 PRESSAVG: 3160400 26.1366 -60.3466 0.644325 -60.3466 2.76362 0.715936 0.644289 0.715982 -28.4617 GPRESSAVG: 3160400 25.7332 -59.6782 3.77441 -58.403 2.21869 0.466959 -2.46505 1.36621 -27.7734 TIMING: 3160400 CPU: 9517.94, 0.00303012/step Wall: 9517.94, 0.00303012/step, 1.54839 hours remaining, 209.199219 MB of memory in use. ENERGY: 3160400 746.9848 2144.9348 1920.5548 103.4578 -206569.2322 17891.8961 0.0000 0.0000 34411.2416 -149350.1622 300.5219 -183761.4038 -149264.9019 299.2578 -44.7323 -6.6180 556467.5511 0.1462 0.0595 PRESSURE: 3160600 40.3183 -101.134 10.8984 -101.133 -38.1132 -57.5941 10.8975 -57.5948 -60.6758 GPRESSURE: 3160600 33.7342 -119.075 55.0607 -180.572 19.2518 -59.6575 9.84056 -90.4783 -10.4407 PRESSAVG: 3160600 46.6309 -45.306 -58.7361 -45.306 7.58205 -2.78599 -58.7361 -2.78595 -26.8119 GPRESSAVG: 3160600 45.5482 -45.2048 -61.4714 -43.8766 8.51414 -1.69771 -57.7894 -2.01951 -26.594 TIMING: 3160600 CPU: 9518.53, 0.00297276/step Wall: 9518.53, 0.00297276/step, 1.51892 hours remaining, 209.402344 MB of memory in use. ENERGY: 3160600 753.3440 2110.8415 1955.8123 110.0996 -206200.7505 17687.4324 0.0000 0.0000 34323.2961 -149259.9247 299.7539 -183583.2208 -149160.6483 299.9745 -19.4902 14.1818 556042.2327 9.1337 9.1561 PRESSURE: 3160800 -229.056 144.558 48.0398 144.559 213.637 16.2821 48.0392 16.2823 -92.1713 GPRESSURE: 3160800 -200.122 63.9681 111.691 157.562 277.785 -27.8458 50.4755 -18.7913 -89.1947 PRESSAVG: 3160800 -0.539964 5.47914 -44.5558 5.479 33.0164 -33.6488 -44.5557 -33.6487 -1.28905 GPRESSAVG: 3160800 0.144362 6.40192 -44.2474 4.42342 32.5045 -34.985 -43.0671 -34.1696 -1.20561 TIMING: 3160800 CPU: 9519.12, 0.00295438/step Wall: 9519.12, 0.00295438/step, 1.50936 hours remaining, 209.402344 MB of memory in use. ENERGY: 3160800 733.3575 2137.9316 1920.4720 99.6137 -206143.1363 17725.9676 0.0000 0.0000 34203.4617 -149322.3323 298.7073 -183525.7940 -149230.5127 299.2088 -35.8635 -3.8439 556762.8081 10.3958 10.4811 PRESSURE: 3161000 -171.72 -53.3258 23.4629 -53.3259 84.69 -226.676 23.4634 -226.676 -521.096 GPRESSURE: 3161000 -146.774 -101.063 -9.9954 -6.21745 88.1835 -275.72 44.5997 -186.695 -460.343 PRESSAVG: 3161000 11.2645 34.7475 -27.6421 34.7476 17.5255 11.0855 -27.6422 11.0855 -42.8783 GPRESSAVG: 3161000 12.1009 33.5555 -27.3242 33.7113 17.7591 11.9795 -28.0244 10.3928 -43.5912 TIMING: 3161000 CPU: 9519.72, 0.00297961/step Wall: 9519.72, 0.00297961/step, 1.52208 hours remaining, 209.402344 MB of memory in use. ENERGY: 3161000 732.3627 2079.5449 1945.5820 103.6312 -206061.1642 17675.4860 0.0000 0.0000 34329.6610 -149194.8964 299.8095 -183524.5574 -149103.4327 298.9185 -202.7086 -172.9777 557616.6140 -4.6961 -4.5771 PRESSURE: 3161200 108.204 -234.675 99.1541 -234.674 4.33746 -78.8972 99.1535 -78.8975 -14.2061 GPRESSURE: 3161200 91.792 -303.83 105.625 -195.882 66.7782 -73.6535 132.7 -169.22 13.0538 PRESSAVG: 3161200 61.7322 0.223931 -17.2771 0.224005 26.9426 -44.4931 -17.2772 -44.4932 -69.7394 GPRESSAVG: 3161200 61.4481 1.18957 -16.013 1.61774 26.6126 -44.3528 -18.521 -44.9428 -69.3457 TIMING: 3161200 CPU: 9520.32, 0.00299398/step Wall: 9520.32, 0.00299398/step, 1.52926 hours remaining, 209.402344 MB of memory in use. ENERGY: 3161200 751.2201 2082.8474 1956.9125 110.1884 -206255.3924 17918.6565 0.0000 0.0000 34303.8891 -149131.6784 299.5844 -183435.5675 -149025.3805 300.3207 32.7785 57.2080 557825.6218 6.3118 6.2383 PRESSURE: 3161400 -354.044 99.7226 -28.4957 99.7223 -198.577 -8.91731 -28.4949 -8.91848 -272.461 GPRESSURE: 3161400 -321.949 85.767 -38.7516 105.802 -174.294 26.9621 -41.8581 -44.1808 -235.383 PRESSAVG: 3161400 -55.2592 65.6235 -13.5335 65.6236 -9.29989 -22.2388 -13.5336 -22.2389 34.9125 GPRESSAVG: 3161400 -55.2804 65.5018 -14.6924 65.2758 -8.89219 -20.9731 -12.8627 -22.925 34.4574 TIMING: 3161400 CPU: 9520.92, 0.00301629/step Wall: 9520.92, 0.00301629/step, 1.54048 hours remaining, 209.402344 MB of memory in use. ENERGY: 3161400 755.6372 2054.5003 1933.3796 120.7668 -205663.9216 17373.6561 0.0000 0.0000 34451.9408 -148974.0408 300.8774 -183425.9816 -148876.2900 300.2126 -275.0274 -243.8757 557593.7392 -9.8822 -9.9051 PRESSURE: 3161600 -77.1507 -39.4635 12.7818 -39.4629 251.563 107.201 12.7799 107.201 -0.330127 GPRESSURE: 3161600 -50.7034 -6.5991 34.5361 -33.7895 285.646 109.35 -6.65327 98.531 32.7501 PRESSAVG: 3161600 -12.7854 31.5508 -26.7749 31.5509 14.7808 4.64896 -26.7748 4.64877 32.3624 GPRESSAVG: 3161600 -13.5039 30.1345 -26.2234 31.224 15.3621 6.06253 -28.2269 5.08098 32.4518 TIMING: 3161600 CPU: 9521.53, 0.00301997/step Wall: 9521.53, 0.00301997/step, 1.5422 hours remaining, 209.402344 MB of memory in use. ENERGY: 3161600 744.3434 2083.9163 1949.5985 117.4089 -205960.1626 17870.5607 0.0000 0.0000 34275.1550 -148919.1798 299.3335 -183194.3349 -148832.7267 299.9978 58.0273 89.2308 556751.9790 11.4526 11.4366 PRESSURE: 3161800 -196.317 71.3208 -52.3395 71.3212 -142.725 45.8007 -52.3384 45.8002 -79.753 GPRESSURE: 3161800 -148.134 116.356 -105.308 157.8 -130.087 74.8405 -39.8579 25.532 -43.3713 PRESSAVG: 3161800 10.6869 30.0061 -7.80068 30.006 13.875 -0.295339 -7.80076 -0.295346 -5.35565 GPRESSAVG: 3161800 12.262 29.8851 -8.6424 31.9316 13.8654 -1.6078 -8.47875 1.36105 -6.37737 TIMING: 3161800 CPU: 9522.14, 0.00305318/step Wall: 9522.14, 0.00305318/step, 1.55899 hours remaining, 209.402344 MB of memory in use. ENERGY: 3161800 740.3357 2099.9995 1958.3363 123.4434 -205367.2575 17509.7526 0.0000 0.0000 33960.7274 -148974.6626 296.5875 -182935.3900 -148876.2388 299.5545 -139.5981 -107.1974 558823.1993 6.4021 6.5834 PRESSURE: 3162000 -200.802 -18.1963 13.3908 -18.1969 -26.9103 75.1852 13.3908 75.1856 -99.7839 GPRESSURE: 3162000 -144.605 -52.4258 -79.0659 -38.5829 -53.6019 -12.7567 40.4375 115.749 -23.9414 PRESSAVG: 3162000 -24.0699 32.9065 -45.4762 32.9065 -16.3226 -8.91453 -45.4761 -8.91455 29.7657 GPRESSAVG: 3162000 -24.963 34.2306 -46.4485 31.7614 -17.8267 -10.9265 -42.7603 -10.9725 32.6006 TIMING: 3162000 CPU: 9522.74, 0.00302617/step Wall: 9522.74, 0.00302617/step, 1.54503 hours remaining, 209.402344 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: 3162000 747.3098 2033.2550 1916.9161 115.6076 -205691.9036 17659.6545 0.0000 0.0000 34186.4882 -149032.6726 298.5591 -183219.1607 -148935.3572 299.5682 -109.1653 -74.0493 559106.0358 -3.5423 -3.3964 PRESSURE: 3162200 73.2952 21.4652 125.229 21.4666 153.013 211.17 125.23 211.169 -20.1086 GPRESSURE: 3162200 84.884 49.0299 196.642 -29.5711 158.702 217.75 103.861 319.333 64.0073 PRESSAVG: 3162200 -50.7653 16.4146 10.4982 16.4147 29.0503 49.0459 10.4982 49.046 9.3682 GPRESSAVG: 3162200 -49.5255 16.2042 11.1047 15.2418 29.8064 50.735 11.3592 49.9981 7.54747 TIMING: 3162200 CPU: 9523.35, 0.00302152/step Wall: 9523.35, 0.00302152/step, 1.54249 hours remaining, 209.402344 MB of memory in use. ENERGY: 3162200 749.8752 2075.2908 1930.4298 99.0214 -206284.7142 18022.6629 0.0000 0.0000 34249.2259 -149158.2082 299.1070 -183407.4341 -149057.2278 299.0459 68.7333 102.5311 557595.0974 -4.1156 -4.0572 PRESSURE: 3162400 -195.187 -107.403 -41.0385 -107.402 -97.5635 11.6312 -41.0395 11.6302 -108.063 GPRESSURE: 3162400 -183.812 -207.127 34.6245 -95.6351 -19.9772 -21.3976 1.43072 -17.8663 -83.5083 PRESSAVG: 3162400 26.5665 5.84287 12.5456 5.84289 19.6311 46.1557 12.5456 46.1556 -30.4492 GPRESSAVG: 3162400 24.8149 5.35549 13.627 8.72063 20.2131 45.4614 10.3753 46.1531 -29.1562 TIMING: 3162400 CPU: 9523.94, 0.00299393/step Wall: 9523.94, 0.00299393/step, 1.52823 hours remaining, 209.402344 MB of memory in use. ENERGY: 3162400 718.6527 2143.8236 1916.3229 109.9891 -206196.9985 17627.2610 0.0000 0.0000 34460.1162 -149220.8330 300.9488 -183680.9492 -149121.5736 299.8595 -133.6047 -95.7658 557304.2038 5.2495 5.2906 PRESSURE: 3162600 71.9761 -227.531 -20.953 -227.531 5.40761 60.1065 -20.9546 60.1068 -113.328 GPRESSURE: 3162600 90.1736 -287.556 -82.7309 -242.639 59.4333 101.924 33.4719 18.9838 -91.8 PRESSAVG: 3162600 8.69926 -6.89542 30.4325 -6.89547 -18.7152 -9.20049 30.4326 -9.20045 2.94875 GPRESSAVG: 3162600 9.56428 -6.02503 29.4941 -9.46856 -18.2719 -9.91094 31.7013 -9.8074 1.57149 TIMING: 3162600 CPU: 9524.54, 0.00300256/step Wall: 9524.54, 0.00300256/step, 1.53247 hours remaining, 209.402344 MB of memory in use. ENERGY: 3162600 723.6730 2058.7497 1936.9640 108.6842 -206545.8457 17926.0583 0.0000 0.0000 34279.0058 -149512.7107 299.3671 -183791.7165 -149410.3050 298.7474 -11.9814 19.2690 557302.2724 -2.3557 -2.3787 PRESSURE: 3162800 -323.39 50.9798 2.77789 50.9806 -233.685 -114.061 2.77851 -114.062 -113.14 GPRESSURE: 3162800 -293.131 58.9649 -7.35744 68.6665 -180.469 -108.072 16.8642 -122.187 -83.0402 PRESSAVG: 3162800 20.3733 25.6613 -16.9848 25.6614 -27.5939 12.4097 -16.9848 12.4097 33.9768 GPRESSAVG: 3162800 20.6217 26.4619 -16.6626 25.5704 -27.8762 14.3446 -16.1722 12.2234 33.941 TIMING: 3162800 CPU: 9525.15, 0.00302602/step Wall: 9525.15, 0.00302602/step, 1.54428 hours remaining, 209.402344 MB of memory in use. ENERGY: 3162800 758.8894 2066.3457 1921.0133 102.4634 -205893.6362 17502.6590 0.0000 0.0000 34065.0141 -149477.2513 297.4982 -183542.2654 -149385.8208 298.1419 -223.4047 -185.5469 558872.8758 8.9187 8.8955 PRESSURE: 3163000 -93.1438 72.9776 -44.9535 72.9793 -62.841 73.8618 -44.9535 73.8614 169.593 GPRESSURE: 3163000 -31.8002 45.8185 -120.701 134.837 -47.4034 109.035 4.41289 45.1439 210.289 PRESSAVG: 3163000 6.89268 36.0368 1.35689 36.0369 -68.0513 -19.3936 1.35695 -19.3936 56.0868 GPRESSAVG: 3163000 7.44592 34.8987 2.08541 35.8809 -67.8508 -19.6503 1.91857 -18.7327 55.3154 TIMING: 3163000 CPU: 9525.75, 0.00300092/step Wall: 9525.75, 0.00300092/step, 1.5313 hours remaining, 209.402344 MB of memory in use. ENERGY: 3163000 751.0742 2096.7434 1940.8568 122.7708 -206301.1240 17948.5190 0.0000 0.0000 34192.3091 -149248.8506 298.6099 -183441.1597 -149152.4881 298.6473 4.5360 43.6952 558482.7967 -1.6906 -1.6965 PRESSURE: 3163200 75.0181 8.16755 -23.4879 8.16823 20.4348 19.9684 -23.4892 19.9684 166.553 GPRESSURE: 3163200 140.047 39.803 -2.1328 49.4429 67.8932 -17.0993 -17.0541 16.293 149.229 PRESSAVG: 3163200 -50.0209 9.44713 -27.5317 9.44696 35.6464 -12.1959 -27.5317 -12.1959 31.293 GPRESSAVG: 3163200 -49.7474 10.4787 -30.3423 12.3676 33.9606 -12.3671 -27.3126 -11.1952 32.0492 TIMING: 3163200 CPU: 9526.35, 0.00301037/step Wall: 9526.35, 0.00301037/step, 1.53596 hours remaining, 209.402344 MB of memory in use. ENERGY: 3163200 740.1232 2114.8621 1928.4273 113.7216 -206583.7106 18051.3481 0.0000 0.0000 34256.1766 -149379.0517 299.1677 -183635.2282 -149282.9008 299.0643 87.3354 119.0566 557115.0419 5.6395 5.4208 PRESSURE: 3163400 39.7861 -67.4021 -23.2244 -67.4034 -123.265 24.3618 -23.2246 24.3627 -155.593 GPRESSURE: 3163400 38.9029 -119.52 -73.9012 -72.87 -45.3388 63.0306 63.0892 36.9194 -135.661 PRESSAVG: 3163400 -34.4457 -46.7557 -33.8998 -46.7556 2.81803 18.605 -33.8997 18.605 -19.5199 GPRESSAVG: 3163400 -33.8328 -46.9509 -33.6678 -49.2571 2.03472 16.989 -33.8551 18.2035 -19.5861 TIMING: 3163400 CPU: 9526.95, 0.00298527/step Wall: 9526.95, 0.00298527/step, 1.52299 hours remaining, 209.402344 MB of memory in use. ENERGY: 3163400 807.2422 2130.1220 1920.0979 106.6514 -206422.5941 18003.5308 0.0000 0.0000 34174.2799 -149280.6699 298.4525 -183454.9498 -149190.5404 298.5680 -79.6907 -47.3657 557292.5098 -17.0492 -17.1281 PRESSURE: 3163600 -75.8459 51.7362 45.8916 51.7372 -270.357 -140.364 45.8912 -140.363 -31.0562 GPRESSURE: 3163600 -32.7802 82.954 8.11573 80.1474 -208.152 -117.756 77.0538 -154.173 -42.0877 PRESSAVG: 3163600 -16.275 14.9354 -19.4583 14.9353 -18.4275 -8.13007 -19.4583 -8.12997 -5.15483 GPRESSAVG: 3163600 -16.8583 14.0345 -19.5109 17.1456 -17.9082 -6.3115 -19.205 -10.9406 -5.01979 TIMING: 3163600 CPU: 9527.55, 0.00299328/step Wall: 9527.55, 0.00299328/step, 1.5269 hours remaining, 209.402344 MB of memory in use. ENERGY: 3163600 770.6773 2065.6586 1926.0036 119.5978 -206014.3166 17800.7764 0.0000 0.0000 33947.1126 -149384.4904 296.4686 -183331.6030 -149288.7416 298.6840 -125.7530 -94.3399 559590.3308 -13.2858 -13.2621 PRESSURE: 3163800 -26.3619 44.3613 15.5739 44.361 -140.31 98.482 15.5744 98.482 -338.495 GPRESSURE: 3163800 5.79121 -16.5575 15.5668 21.6778 -75.9033 99.5289 -67.1122 52.5882 -341.398 PRESSAVG: 3163800 17.9675 14.878 -18.9699 14.8781 -15.9832 -24.2203 -18.97 -24.2203 -12.6669 GPRESSAVG: 3163800 17.4052 14.7478 -17.4262 13.1023 -15.4217 -25.2695 -20.0445 -21.2819 -12.9272 TIMING: 3163800 CPU: 9528.15, 0.00298992/step Wall: 9528.15, 0.00298992/step, 1.52503 hours remaining, 209.402344 MB of memory in use. ENERGY: 3163800 766.7449 2158.2766 1952.6003 122.5943 -206260.9399 17692.2155 0.0000 0.0000 34229.9528 -149338.5554 298.9387 -183568.5082 -149246.6619 298.5458 -168.3889 -137.1699 558216.5499 -3.5609 -3.6479 PRESSURE: 3164000 161.422 -59.6325 91.7076 -59.632 166.067 -1.11569 91.7084 -1.11511 -363.317 GPRESSURE: 3164000 173.791 -130.238 46.5151 -61.1289 205.339 -35.1512 86.3019 56.3593 -317.133 PRESSAVG: 3164000 -25.584 11.6375 27.1976 11.6374 -2.5865 -74.6473 27.1974 -74.6473 -1.34832 GPRESSAVG: 3164000 -26.2224 11.7876 28.1337 13.2907 -3.21982 -72.9989 26.1266 -75.7917 0.441182 TIMING: 3164000 CPU: 9528.75, 0.00301404/step Wall: 9528.75, 0.00301404/step, 1.53716 hours remaining, 209.605469 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: 3164000 750.5987 2153.2672 1964.0591 119.1713 -206353.5003 17900.6473 0.0000 0.0000 34121.6602 -149344.0964 297.9929 -183465.7566 -149242.3657 298.9012 -11.9431 20.6658 558534.9500 -9.8396 -9.6670 PRESSURE: 3164200 -69.2628 111.11 -148.31 111.11 -128.508 -274.682 -148.31 -274.681 -471.412 GPRESSURE: 3164200 -92.083 161.866 -176.895 57.9844 -105.129 -272.577 -85.4892 -364.305 -375.87 PRESSAVG: 3164200 100.888 5.65244 1.25297 5.6525 -34.5153 -55.5463 1.25298 -55.5461 -37.8879 GPRESSAVG: 3164200 100.857 4.321 0.14561 6.24123 -32.1964 -57.1362 2.69255 -55.8231 -39.7623 TIMING: 3164200 CPU: 9529.35, 0.00298239/step Wall: 9529.35, 0.00298239/step, 1.52085 hours remaining, 209.605469 MB of memory in use. ENERGY: 3164200 756.9096 2137.6415 1937.7753 112.4834 -206078.2130 17596.3409 0.0000 0.0000 34187.2252 -149349.8371 298.5655 -183537.0623 -149258.6285 299.1364 -223.0608 -191.0275 558294.3956 9.4948 9.6326 LDB: ============= START OF LOAD BALANCING ============== 9532.86 LDB: ============== END OF LOAD BALANCING =============== 9532.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9532.87 LDB: ============= START OF LOAD BALANCING ============== 9533.17 LDB: Largest compute 4802 load 0.029765 is 25.2% of average load 0.118105 LDB: Average compute 0.001730 is 1.5% of average load 0.118105 LDB: TIME 9533.17 LOAD: AVG 0.118105 MAX 0.207995 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 9533.17 LOAD: AVG 0.118105 MAX 0.207995 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: TIME 9533.17 LOAD: AVG 0.118105 MAX 0.207995 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9533.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9533.18 PRESSURE: 3164400 41.3355 111.772 -92.7999 111.773 -28.3571 -95.256 -92.7997 -95.2565 -175.558 GPRESSURE: 3164400 100.483 133.761 -171.854 34.136 -21.885 -85.1425 -84.6884 -68.9776 -145.245 PRESSAVG: 3164400 51.7278 81.4754 -9.6935 81.4754 -4.81786 -26.2456 -9.69348 -26.2456 -91.8243 GPRESSAVG: 3164400 53.0237 83.6665 -8.97045 78.3225 -6.35663 -25.5581 -10.6117 -27.0932 -91.3964 TIMING: 3164400 CPU: 9529.96, 0.00307726/step Wall: 9529.96, 0.00307726/step, 1.56906 hours remaining, 209.023438 MB of memory in use. ENERGY: 3164400 785.7831 2066.2941 1941.8524 125.4380 -206202.0714 17836.0463 0.0000 0.0000 34110.5860 -149336.0715 297.8962 -183446.6575 -149247.8933 298.7088 -54.1931 -22.2154 558586.5444 -14.9714 -14.9098 PRESSURE: 3164600 -298.952 48.0913 -35.5204 48.0907 -117.292 67.9995 -35.5207 67.9994 -59.6575 GPRESSURE: 3164600 -281.681 70.2854 -82.4792 70.9974 -103.174 107.02 85.0576 -28.438 8.03413 PRESSAVG: 3164600 2.62118 69.2426 -24.1542 69.2426 4.01554 -25.09 -24.1542 -25.0899 -43.6096 GPRESSAVG: 3164600 3.04336 69.7832 -24.0142 68.385 4.68757 -26.0993 -24.2867 -24.91 -45.4019 TIMING: 3164600 CPU: 9530.56, 0.00299415/step Wall: 9530.56, 0.00299415/step, 1.52652 hours remaining, 209.023438 MB of memory in use. ENERGY: 3164600 742.6550 2097.7600 1914.6645 103.9410 -206126.5014 17784.6774 0.0000 0.0000 34183.1374 -149299.6663 298.5298 -183482.8037 -149203.4725 298.7154 -158.6338 -125.6072 559493.5634 -12.3243 -12.5570 PRESSURE: 3164800 -74.8772 188.769 -41.9544 188.768 -16.7253 -11.5286 -41.955 -11.5279 40.6296 GPRESSURE: 3164800 -112.104 239.639 -56.9029 121.758 52.3892 12.3823 -13.5088 6.06967 112.678 PRESSAVG: 3164800 70.2375 21.8445 4.974 21.8446 -38.0976 19.0462 4.97398 19.0462 -36.0039 GPRESSAVG: 3164800 69.1381 19.0513 4.07767 24.4248 -38.6232 18.6221 6.90222 19.5173 -33.9391 TIMING: 3164800 CPU: 9531.15, 0.0029742/step Wall: 9531.15, 0.0029742/step, 1.51618 hours remaining, 209.167969 MB of memory in use. ENERGY: 3164800 687.3217 2059.0363 1959.1548 117.7341 -206388.0356 17872.4243 0.0000 0.0000 34333.6518 -149358.7126 299.8443 -183692.3644 -149263.3737 299.0899 -16.9910 17.6546 559410.7617 -1.2880 -1.1414 PRESSURE: 3165000 -90.0318 32.811 -87.6464 32.8098 -362.685 -95.5544 -87.6472 -95.5543 -13.3625 GPRESSURE: 3165000 -67.815 58.7216 -72.543 12.8845 -304.754 -125.453 -29.3063 -69.0775 -6.2902 PRESSAVG: 3165000 42.7141 16.8846 -6.28407 16.8847 3.18889 -26.8015 -6.28407 -26.8015 -37.6002 GPRESSAVG: 3165000 43.8352 18.7336 -5.77201 15.2262 2.38271 -27.7305 -7.47952 -26.1442 -38.2755 TIMING: 3165000 CPU: 9531.75, 0.00296128/step Wall: 9531.75, 0.00296128/step, 1.50943 hours remaining, 209.167969 MB of memory in use. ENERGY: 3165000 736.4781 2117.5716 1929.5126 115.5186 -206037.0350 17606.2350 0.0000 0.0000 34267.4122 -149264.3068 299.2658 -183531.7191 -149175.4368 299.3120 -155.3599 -126.2865 558252.6879 2.7676 2.6475 PRESSURE: 3165200 68.7535 -125.85 69.9464 -125.85 -72.898 105.01 69.9465 105.009 -78.5432 GPRESSURE: 3165200 71.8289 -134.191 140.09 -60.2797 -8.61342 73.2193 9.4487 88.4214 -42.1367 PRESSAVG: 3165200 57.5632 -33.241 -42.3685 -33.241 -1.91191 -23.9798 -42.3685 -23.9799 -30.2359 GPRESSAVG: 3165200 57.5588 -34.2932 -41.4767 -32.2274 -1.16769 -23.7898 -43.065 -22.3567 -30.5678 TIMING: 3165200 CPU: 9532.34, 0.00297538/step Wall: 9532.34, 0.00297538/step, 1.51645 hours remaining, 209.167969 MB of memory in use. ENERGY: 3165200 764.6267 2037.1531 1967.0705 125.9451 -206051.6296 17818.8270 0.0000 0.0000 34106.4928 -149231.5144 297.8605 -183338.0072 -149137.1599 298.6676 -27.5626 7.0263 558115.6957 8.4718 8.6078 PRESSURE: 3165400 77.9919 -115.223 125.98 -115.223 -99.8211 127.234 125.981 127.233 -109.078 GPRESSURE: 3165400 67.7003 -103.72 72.6498 -156.923 -27.3554 131.876 152.232 148.3 -76.6196 PRESSAVG: 3165400 78.1428 15.5807 -14.5931 15.5807 -13.7036 3.4863 -14.5932 3.48618 -11.2708 GPRESSAVG: 3165400 76.8038 16.4857 -16.3617 14.5726 -13.097 2.5632 -14.3068 1.83287 -10.0621 TIMING: 3165400 CPU: 9532.94, 0.00297847/step Wall: 9532.94, 0.00297847/step, 1.51786 hours remaining, 209.402344 MB of memory in use. ENERGY: 3165400 759.4928 2084.0752 1956.9882 123.2089 -206672.6384 17925.3571 0.0000 0.0000 34432.3367 -149391.1795 300.7062 -183823.5162 -149303.9868 298.8566 -43.6356 -12.0916 557013.5717 17.7228 17.8816 PRESSURE: 3165600 74.5487 170.094 -118.407 170.096 -115.384 -194.571 -118.406 -194.571 -85.4141 GPRESSURE: 3165600 71.4061 269.027 -98.5731 140.728 -105.119 -198.946 -141.353 -164.562 11.7077 PRESSAVG: 3165600 -52.1694 -26.4482 -39.9619 -26.4483 -0.0813079 -13.6856 -39.9618 -13.6855 36.043 GPRESSAVG: 3165600 -51.2194 -26.9867 -38.6082 -24.6799 -1.37004 -13.7356 -38.2741 -13.5146 36.4709 TIMING: 3165600 CPU: 9533.54, 0.00298922/step Wall: 9533.54, 0.00298922/step, 1.52317 hours remaining, 209.402344 MB of memory in use. ENERGY: 3165600 763.5534 2087.2629 1978.8315 115.1450 -206757.6696 18014.0992 0.0000 0.0000 34375.7651 -149423.0124 300.2121 -183798.7775 -149322.6225 299.3274 -42.0832 -7.3350 558533.7562 -5.4025 -5.3728 PRESSURE: 3165800 316.92 -119.109 99.2859 -119.11 404.139 102.359 99.2866 102.359 382.238 GPRESSURE: 3165800 342.699 -25.1101 65.2054 -263.546 397.015 108.638 181.253 91.9422 462.983 PRESSAVG: 3165800 34.0187 -11.8096 0.51319 -11.8095 22.7214 -23.4496 0.513218 -23.4495 -43.5662 GPRESSAVG: 3165800 34.2914 -11.5079 -0.318509 -12.075 23.4062 -23.1587 1.81826 -23.1585 -44.711 TIMING: 3165800 CPU: 9534.14, 0.00300393/step Wall: 9534.14, 0.00300393/step, 1.5305 hours remaining, 209.402344 MB of memory in use. ENERGY: 3165800 732.9057 2027.8850 1933.7368 116.2040 -207224.9063 18562.7509 0.0000 0.0000 34281.7455 -149569.6783 299.3910 -183851.4238 -149466.9836 298.8169 367.7656 400.8992 556265.5938 4.3913 4.3289 PRESSURE: 3166000 -135.124 -164.494 -122.812 -164.493 -28.5634 -74.7381 -122.812 -74.7374 56.53 GPRESSURE: 3166000 -95.5114 -125.155 -99.5645 -168.017 34.0517 -114.29 -207.201 -6.97722 54.7837 PRESSAVG: 3166000 0.667745 -54.2849 -48.8911 -54.2849 2.1153 13.6129 -48.891 13.613 -11.8906 GPRESSAVG: 3166000 1.49412 -53.0516 -48.4388 -55.0543 1.94316 15.2667 -52.7792 10.9697 -12.8751 TIMING: 3166000 CPU: 9534.74, 0.00300026/step Wall: 9534.74, 0.00300026/step, 1.52847 hours remaining, 209.402344 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: 3166000 740.6143 2054.0397 1939.5946 109.5246 -206273.4188 17788.4374 0.0000 0.0000 33833.7097 -149807.4985 295.4782 -183641.2082 -149714.2605 297.7916 -35.7191 -2.2253 557465.6180 -3.0359 -3.1460 PRESSURE: 3166200 68.7823 -104.078 64.8079 -104.077 -129.858 -139.841 64.8086 -139.84 -275.998 GPRESSURE: 3166200 72.2402 -132.143 51.8914 -23.6448 -76.099 -147.48 144.076 -104.89 -237.891 PRESSAVG: 3166200 -8.32536 -27.7154 -18.9817 -27.7154 -34.171 -32.3104 -18.9817 -32.3103 26.1853 GPRESSAVG: 3166200 -8.39168 -27.858 -18.8521 -28.4438 -34.4287 -33.4021 -16.9927 -30.1179 26.0754 TIMING: 3166200 CPU: 9535.34, 0.0030082/step Wall: 9535.34, 0.0030082/step, 1.53234 hours remaining, 209.402344 MB of memory in use. ENERGY: 3166200 739.2008 2047.7858 1932.9451 113.0663 -206313.8103 17761.9833 0.0000 0.0000 33992.8143 -149726.0148 296.8677 -183718.8291 -149628.5146 297.1546 -112.3579 -80.5832 557441.9689 -5.4370 -5.5817 PRESSURE: 3166400 18.2256 103.039 91.5549 103.039 -22.7466 79.3874 91.5533 79.3895 71.2905 GPRESSURE: 3166400 46.6991 100.877 21.4993 84.3399 32.3408 120.848 54.2715 58.328 85.649 PRESSAVG: 3166400 12.3401 -26.0658 44.8129 -26.0658 -38.8349 -6.0468 44.8129 -6.04677 -0.664239 GPRESSAVG: 3166400 11.5088 -26.3872 44.9657 -26.9089 -38.8707 -2.90562 45.4133 -8.94863 0.0311373 TIMING: 3166400 CPU: 9535.94, 0.00300576/step Wall: 9535.94, 0.00300576/step, 1.53093 hours remaining, 209.402344 MB of memory in use. ENERGY: 3166400 760.6345 2055.4884 1956.2406 117.4381 -206677.4613 17920.3471 0.0000 0.0000 34041.0079 -149826.3048 297.2886 -183867.3127 -149729.5566 298.5293 22.2565 54.8963 555467.8716 -9.0530 -9.1103 PRESSURE: 3166600 -78.6175 -91.0955 81.7419 -91.0958 -386.207 20.0111 81.7423 20.0116 -224.767 GPRESSURE: 3166600 -103.842 -144.819 2.04971 12.8115 -333.693 -6.8486 112.341 102.588 -151.969 PRESSAVG: 3166600 0.898856 15.6946 33.7656 15.6947 -13.807 -39.5327 33.7655 -39.5328 19.946 GPRESSAVG: 3166600 0.0775454 15.1279 32.4363 16.6577 -13.1842 -43.0501 34.9368 -37.5545 20.3384 TIMING: 3166600 CPU: 9536.54, 0.00301572/step Wall: 9536.54, 0.00301572/step, 1.53584 hours remaining, 209.402344 MB of memory in use. ENERGY: 3166600 750.3297 2105.9166 1920.8688 105.3943 -206122.2847 17624.9195 0.0000 0.0000 33968.0910 -149646.7647 296.6518 -183614.8557 -149552.4044 298.3373 -229.8638 -196.5011 557294.9512 2.3460 2.4106 PRESSURE: 3166800 182.606 134.71 -66.5875 134.709 37.9843 83.4793 -66.587 83.4778 -273.283 GPRESSURE: 3166800 170.914 31.6915 -3.99495 80.6024 75.9219 -8.9983 -66.92 107.435 -208.355 PRESSAVG: 3166800 97.1237 23.6449 0.322974 23.645 -22.7449 6.1819 0.322978 6.18197 -48.6417 GPRESSAVG: 3166800 97.0474 23.9361 3.94815 24.798 -22.0421 7.11654 -0.365721 5.83306 -49.3606 TIMING: 3166800 CPU: 9537.14, 0.00300734/step Wall: 9537.14, 0.00300734/step, 1.5314 hours remaining, 209.402344 MB of memory in use. ENERGY: 3166800 735.0462 2090.1566 1931.3931 123.0718 -206564.4538 17775.1080 0.0000 0.0000 34353.9822 -149555.6958 300.0219 -183909.6780 -149460.3618 298.2860 -17.5643 12.8272 555964.0756 8.5790 8.5482 PRESSURE: 3167000 42.0047 26.1482 231.09 26.1476 -218.339 59.4984 231.089 59.499 -4.03945 GPRESSURE: 3167000 48.0046 111.829 184.742 47.7905 -154.452 91.8414 234.541 -37.6158 12.0058 PRESSAVG: 3167000 5.86016 21.9178 10.1462 21.9178 -37.5233 15.4309 10.1462 15.4308 21.064 GPRESSAVG: 3167000 6.75228 22.1423 8.50464 22.9396 -39.1777 15.7386 8.45617 15.0229 21.6327 TIMING: 3167000 CPU: 9537.75, 0.003012/step Wall: 9537.75, 0.003012/step, 1.53361 hours remaining, 209.402344 MB of memory in use. ENERGY: 3167000 731.1206 2129.5534 1940.7967 114.5999 -206367.6406 17644.9797 0.0000 0.0000 34293.8606 -149512.7296 299.4968 -183806.5903 -149421.0169 298.3026 -60.1247 -31.4806 555980.6882 -3.5330 -3.5976 PRESSURE: 3167200 -242.687 -13.4389 226.247 -13.4391 -237.734 8.52373 226.248 8.52378 -212.383 GPRESSURE: 3167200 -168.572 108.669 211.318 -25.3466 -251.525 -73.0562 238.939 -12.1494 -172.299 PRESSAVG: 3167200 -13.6644 -7.01989 45.8424 -7.0199 9.55535 -35.83 45.8424 -35.8301 7.29874 GPRESSAVG: 3167200 -13.7384 -5.96336 44.3026 -9.63469 9.82538 -35.958 45.4965 -35.9393 6.89633 TIMING: 3167200 CPU: 9538.35, 0.00302352/step Wall: 9538.35, 0.00302352/step, 1.53931 hours remaining, 209.402344 MB of memory in use. ENERGY: 3167200 735.0502 2075.2949 1951.9698 99.6700 -206202.8610 17567.8073 0.0000 0.0000 34292.4650 -149480.6038 299.4846 -183773.0689 -149379.0282 299.5303 -230.9347 -197.4654 557509.0967 1.0632 0.9944 PRESSURE: 3167400 -79.665 0.293288 49.2264 0.293808 71.111 190.881 49.2262 190.882 1.34994 GPRESSURE: 3167400 -55.7816 -47.571 3.20888 19.9294 113.92 167.141 -13.2542 162.395 27.0978 PRESSAVG: 3167400 9.15547 -19.9854 30.5254 -19.9854 21.8318 35.7213 30.5254 35.7213 48.2472 GPRESSAVG: 3167400 8.58114 -22.0222 29.1651 -18.6825 20.9324 36.6593 30.5388 34.4982 49.5529 TIMING: 3167400 CPU: 9538.95, 0.00300608/step Wall: 9538.95, 0.00300608/step, 1.53026 hours remaining, 209.402344 MB of memory in use. ENERGY: 3167400 718.4965 2096.9800 1960.3299 114.7350 -206444.3943 17858.3278 0.0000 0.0000 34098.6561 -149596.8690 297.7920 -183695.5251 -149501.5301 299.2290 -2.4014 28.4119 557968.6072 26.4115 26.3555 PRESSURE: 3167600 -30.276 21.9655 -209.669 21.9658 197.847 4.87131 -209.668 4.86983 -212.096 GPRESSURE: 3167600 -15.4937 48.6964 -176.479 -9.56081 211.971 21.584 -231.79 29.4773 -143.558 PRESSAVG: 3167600 -37.0991 -25.1125 -10.1727 -25.1125 28.1918 34.3831 -10.1726 34.3832 -2.81274 GPRESSAVG: 3167600 -36.6717 -25.0882 -10.0358 -23.5582 28.7014 35.3115 -7.51625 35.2313 -3.66693 TIMING: 3167600 CPU: 9539.55, 0.00301011/step Wall: 9539.55, 0.00301011/step, 1.53214 hours remaining, 209.402344 MB of memory in use. ENERGY: 3167600 747.3233 2085.9733 1962.6786 114.5717 -206704.0548 17850.3242 0.0000 0.0000 34258.7673 -149684.4164 299.1903 -183943.1838 -149584.7298 299.1210 -14.8417 17.6397 557281.0795 -3.9067 -3.8791 PRESSURE: 3167800 137.583 56.689 -5.3729 56.6882 99.8283 66.2623 -5.37271 66.262 81.0073 GPRESSURE: 3167800 133.607 35.686 4.38517 76.1989 186.29 110.237 -92.85 38.1273 94.0433 PRESSAVG: 3167800 6.40055 -14.5907 -10.6425 -14.5908 -1.9753 -30.2556 -10.6424 -30.2556 -25.3973 GPRESSAVG: 3167800 7.54978 -14.447 -8.02167 -14.2658 -2.65881 -30.7486 -14.5659 -30.4143 -25.4564 TIMING: 3167800 CPU: 9540.16, 0.00301353/step Wall: 9540.16, 0.00301353/step, 1.53372 hours remaining, 209.402344 MB of memory in use. ENERGY: 3167800 716.2501 2114.5490 1972.5901 103.0212 -206293.0233 17857.2944 0.0000 0.0000 34115.1196 -149414.1988 297.9358 -183529.3185 -149317.4616 298.0490 106.1394 137.9803 557725.9422 -6.9907 -6.8551 PRESSURE: 3168000 -87.7866 8.35353 53.5997 8.35385 70.4646 149.23 53.6002 149.229 -182.214 GPRESSURE: 3168000 -37.3319 72.0454 27.189 -89.1534 57.3793 150.911 165.539 175 -116.509 PRESSAVG: 3168000 -2.23685 3.76284 39.9645 3.76292 18.3539 6.17999 39.9646 6.17996 -15.6493 GPRESSAVG: 3168000 -2.93843 5.67318 39.2852 0.623848 19.0173 3.70989 42.3813 8.58389 -15.4715 TIMING: 3168000 CPU: 9540.77, 0.00304378/step Wall: 9540.77, 0.00304378/step, 1.54895 hours remaining, 209.402344 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: 3168000 739.5238 2120.8062 1953.3991 103.3192 -206008.6187 17735.9881 0.0000 0.0000 33838.4776 -149517.1048 295.5198 -183355.5823 -149425.5956 297.9128 -66.5120 -32.1540 557932.2521 0.1559 0.2025 PRESSURE: 3168200 -16.2925 216.013 143.747 216.013 -33.282 -107.914 143.746 -107.913 -67.4959 GPRESSURE: 3168200 40.8788 226.707 171.563 148.066 -0.635802 -85.2047 114.611 -110.258 -53.7699 PRESSAVG: 3168200 45.4335 -29.8753 20.4806 -29.8752 41.1675 17.8621 20.4807 17.862 -36.0594 GPRESSAVG: 3168200 46.2638 -30.5684 18.3621 -28.7731 40.6828 18.4644 19.637 17.7773 -36.519 TIMING: 3168200 CPU: 9541.37, 0.00302175/step Wall: 9541.37, 0.00302175/step, 1.53757 hours remaining, 209.402344 MB of memory in use. ENERGY: 3168200 738.0968 2086.1907 1928.3438 105.6745 -206369.3826 17728.5262 0.0000 0.0000 34277.4579 -149505.0927 299.3536 -183782.5507 -149413.7079 298.9942 -39.0234 -4.5090 556285.7744 16.8472 16.8092 LDB: ============= START OF LOAD BALANCING ============== 9544.89 LDB: ============== END OF LOAD BALANCING =============== 9544.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9544.89 LDB: ============= START OF LOAD BALANCING ============== 9545.19 LDB: Largest compute 4802 load 0.030659 is 26.0% of average load 0.118071 LDB: Average compute 0.001727 is 1.5% of average load 0.118071 LDB: TIME 9545.19 LOAD: AVG 0.118071 MAX 0.205604 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.711 MB LDB: TIME 9545.19 LOAD: AVG 0.118071 MAX 0.205604 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.914 MB LDB: TIME 9545.19 LOAD: AVG 0.118071 MAX 0.205604 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.914 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9545.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9545.2 PRESSURE: 3168400 285.729 -6.73394 -126.886 -6.73447 -0.126105 21.2997 -126.887 21.3005 53.3047 GPRESSURE: 3168400 330.393 61.6052 -139.069 10.4924 42.4703 -40.9632 -123.91 52.6544 73.5457 PRESSAVG: 3168400 72.4499 16.8776 -25.7213 16.8775 -64.0464 1.9916 -25.7213 1.99152 -24.758 GPRESSAVG: 3168400 72.4344 18.0762 -22.6651 16.1979 -62.8238 2.91149 -26.6163 0.703976 -25.8162 TIMING: 3168400 CPU: 9541.98, 0.0030494/step Wall: 9541.98, 0.0030494/step, 1.55147 hours remaining, 208.480469 MB of memory in use. ENERGY: 3168400 730.9983 2096.9849 1929.6660 113.0196 -206541.9120 18064.3598 0.0000 0.0000 34099.5432 -149507.3403 297.7998 -183606.8835 -149417.4571 298.1742 112.9692 148.8029 556525.5165 -5.4515 -5.4018 PRESSURE: 3168600 -288.468 -54.7835 125.024 -54.7833 -8.25638 207.507 125.024 207.506 -385.42 GPRESSURE: 3168600 -280.659 -51.8693 52.999 -64.5722 36.0203 210.935 118.11 212.745 -364.557 PRESSAVG: 3168600 73.4199 -5.55131 -20.0583 -5.55125 -11.1624 -29.8722 -20.0583 -29.8722 -69.6857 GPRESSAVG: 3168600 71.9428 -7.6447 -20.569 -5.99939 -12.4326 -32.378 -18.5659 -29.2855 -67.2213 TIMING: 3168600 CPU: 9542.58, 0.00300691/step Wall: 9542.58, 0.00300691/step, 1.52968 hours remaining, 208.625000 MB of memory in use. ENERGY: 3168600 726.5534 2045.7048 1932.7543 120.4581 -205776.3756 17370.8523 0.0000 0.0000 34147.8036 -149432.2491 298.2213 -183580.0527 -149329.9967 298.5032 -227.3814 -203.0651 558148.7908 -2.4761 -2.5704 PRESSURE: 3168800 -393.829 -9.25518 61.8883 -9.25547 -8.90799 -34.938 61.8878 -34.9377 -124.136 GPRESSURE: 3168800 -317.43 11.3289 -2.56489 -9.73796 6.97566 30.0236 66.5401 -16.8138 -121.282 PRESSAVG: 3168800 -27.5266 13.6052 -28.1063 13.6052 -13.9273 42.226 -28.1063 42.2259 -34.1666 GPRESSAVG: 3168800 -27.7221 14.3195 -28.8584 15.6156 -13.5713 44.1789 -27.6972 40.8161 -34.5327 TIMING: 3168800 CPU: 9543.18, 0.0030017/step Wall: 9543.18, 0.0030017/step, 1.52687 hours remaining, 208.625000 MB of memory in use. ENERGY: 3168800 771.6564 2070.4750 1914.6811 134.1136 -206319.0339 17479.3943 0.0000 0.0000 34391.1142 -149557.5993 300.3462 -183948.7135 -149462.1928 298.6371 -175.6245 -143.9121 557138.4294 -25.2068 -25.2754 PRESSURE: 3169000 81.753 -0.849142 -106.458 -0.848931 -30.0081 -43.1403 -106.459 -43.14 -106.997 GPRESSURE: 3169000 127.308 10.3994 -76.1341 -11.8658 17.9004 -22.2666 -30.643 -32.5284 -108.056 PRESSAVG: 3169000 50.7764 2.86333 5.52769 2.8633 -38.4657 19.6743 5.52759 19.6743 17.3218 GPRESSAVG: 3169000 51.2253 2.43686 6.71953 2.90871 -38.6664 16.3885 3.71939 20.3655 16.7001 TIMING: 3169000 CPU: 9543.78, 0.00300283/step Wall: 9543.78, 0.00300283/step, 1.52727 hours remaining, 208.625000 MB of memory in use. ENERGY: 3169000 731.3520 2092.3016 1914.4397 95.5829 -206594.3274 17860.9604 0.0000 0.0000 34369.6950 -149529.9958 300.1591 -183899.6908 -149432.7331 298.9740 -18.4173 12.3842 556087.6146 9.8775 9.7530 PRESSURE: 3169200 234.73 -5.97419 -102.878 -5.97468 -123.45 59.6265 -102.879 59.6282 103.957 GPRESSURE: 3169200 238.457 -16.9347 -89.8628 63.0294 -56.8778 -6.08627 -160.386 84.7838 133.394 PRESSAVG: 3169200 7.96286 -19.1088 -0.0164507 -19.1089 -11.3632 18.8397 -0.0165631 18.8397 12.3616 GPRESSAVG: 3169200 7.77418 -17.6163 -1.58427 -19.2876 -10.9056 21.7052 0.87918 17.8413 12.2639 TIMING: 3169200 CPU: 9544.38, 0.00297313/step Wall: 9544.38, 0.00297313/step, 1.512 hours remaining, 208.625000 MB of memory in use. ENERGY: 3169200 723.8168 2062.4958 1922.7623 121.0968 -206402.4679 17767.4427 0.0000 0.0000 34336.8583 -149467.9951 299.8723 -183804.8535 -149368.7700 299.0609 71.7456 104.9913 555679.6026 2.9871 3.0442 PRESSURE: 3169400 -180.88 51.1406 155.65 51.1413 -77.9601 46.4314 155.65 46.4319 -100.016 GPRESSURE: 3169400 -114.504 78.5055 252.432 -17.1631 -103.49 33.7906 126.163 44.6343 -47.4966 PRESSAVG: 3169400 19.9031 4.61341 19.8553 4.61339 -11.8362 13.9912 19.8554 13.9913 2.44671 GPRESSAVG: 3169400 21.2598 4.25628 19.2836 5.28739 -12.9232 13.4458 19.3658 14.2682 1.41338 TIMING: 3169400 CPU: 9544.97, 0.00296044/step Wall: 9544.97, 0.00296044/step, 1.50539 hours remaining, 208.625000 MB of memory in use. ENERGY: 3169400 792.5221 2109.1825 1947.3085 110.7814 -206385.7790 17796.5171 0.0000 0.0000 34234.1037 -149395.3636 298.9749 -183629.4673 -149300.4820 299.7807 -119.6187 -88.4967 556429.2915 3.5046 3.2500 PRESSURE: 3169600 58.847 -20.4438 133.539 -20.4439 13.3359 -13.8926 133.54 -13.8939 -162.757 GPRESSURE: 3169600 66.3176 -47.7315 112.678 -73.5867 63.8182 22.9447 150.495 9.24579 -134.646 PRESSAVG: 3169600 48.7491 19.3688 30.2974 19.3688 -13.1983 -6.96137 30.2973 -6.96125 -13.1613 GPRESSAVG: 3169600 47.9039 20.9015 31.6274 16.0047 -13.2308 -6.87475 31.5212 -5.98287 -12.3268 TIMING: 3169600 CPU: 9545.56, 0.00296763/step Wall: 9545.56, 0.00296763/step, 1.50887 hours remaining, 208.625000 MB of memory in use. ENERGY: 3169600 727.2321 2077.8253 1927.7758 106.1088 -206374.5513 17698.3742 0.0000 0.0000 34376.3759 -149460.8592 300.2174 -183837.2352 -149362.9403 299.4258 -30.1915 -1.5034 555354.6593 7.4631 7.4488 PRESSURE: 3169800 -20.6024 155.45 72.2461 155.452 -35.7415 -60.0847 72.2463 -60.0843 -102.849 GPRESSURE: 3169800 22.1722 130.996 46.6896 93.6997 -7.76008 -43.2304 99.0713 -62.8164 -75.5076 PRESSAVG: 3169800 5.8962 -28.695 34.0948 -28.6949 -25.5112 -59.1891 34.0948 -59.1893 10.9514 GPRESSAVG: 3169800 4.30014 -32.0336 35.2124 -25.7792 -24.8022 -60.5782 31.4331 -58.6508 11.5649 TIMING: 3169800 CPU: 9546.16, 0.00297309/step Wall: 9546.16, 0.00297309/step, 1.51148 hours remaining, 208.625000 MB of memory in use. ENERGY: 3169800 732.7137 2084.8012 1932.0962 116.3555 -206505.6850 17777.4253 0.0000 0.0000 34273.9692 -149588.3240 299.3231 -183862.2932 -149494.1701 298.4152 -53.0643 -20.3651 555951.4324 -2.8879 -2.9791 PRESSURE: 3170000 131.229 43.4393 -11.1984 43.4403 452.177 -4.66358 -11.1982 -4.66457 30.2215 GPRESSURE: 3170000 185.455 50.0891 -96.45 46.5046 494.637 -22.393 -26.5382 -15.1119 46.8521 PRESSAVG: 3170000 14.9234 -15.338 24.0298 -15.338 34.7671 -26.0697 24.03 -26.0697 -57.1406 GPRESSAVG: 3170000 16.3595 -15.5738 21.4671 -15.2471 34.5471 -24.7436 25.8264 -26.5266 -57.9828 TIMING: 3170000 CPU: 9546.76, 0.00299397/step Wall: 9546.76, 0.00299397/step, 1.52193 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: 3170000 750.0134 2132.1263 1911.1496 110.6454 -206487.6850 18095.6163 0.0000 0.0000 34058.9976 -149429.1363 297.4457 -183488.1340 -149333.3240 297.9048 204.5425 242.3148 557636.4215 -2.4834 -2.3587 PRESSURE: 3170200 -19.4805 -141.978 104.665 -141.978 100.476 -177.029 104.665 -177.029 125.777 GPRESSURE: 3170200 0.715801 -147.012 6.46457 -113.279 188.498 -153.189 188.191 -220.535 117.123 PRESSAVG: 3170200 -32.4294 9.36409 3.7405 9.3641 37.4156 -36.7021 3.74044 -36.7021 -11.7345 GPRESSAVG: 3170200 -31.9524 11.1637 6.37573 6.89944 36.9629 -37.98 1.86759 -36.9855 -11.0947 TIMING: 3170200 CPU: 9547.36, 0.00300078/step Wall: 9547.36, 0.00300078/step, 1.52523 hours remaining, 208.625000 MB of memory in use. ENERGY: 3170200 752.7431 2108.9030 1925.1983 107.3101 -206422.4814 17942.8248 0.0000 0.0000 34280.6448 -149304.8574 299.3814 -183585.5022 -149205.6793 298.8720 68.9239 102.1121 556903.2496 -2.2494 -2.0281 PRESSURE: 3170400 10.4872 92.264 -60.2775 92.2639 -93.3779 72.4148 -60.2775 72.4132 139.337 GPRESSURE: 3170400 24.5464 35.1299 -62.914 75.2026 -28.8988 58.5453 -47.8765 68.3781 128.812 PRESSAVG: 3170400 -10.7922 9.27704 15.0913 9.27703 -60.3313 -42.431 15.0913 -42.431 80.6966 GPRESSAVG: 3170400 -10.2951 8.45025 13.3976 10.4845 -59.7204 -41.0725 18.7563 -44.231 79.8844 TIMING: 3170400 CPU: 9547.96, 0.00299803/step Wall: 9547.96, 0.00299803/step, 1.52366 hours remaining, 208.625000 MB of memory in use. ENERGY: 3170400 753.3821 2110.5667 1933.0307 118.6270 -206778.2364 18059.3110 0.0000 0.0000 34391.7328 -149411.5862 300.3516 -183803.3190 -149323.8552 299.1433 18.8153 41.4865 557219.4039 3.1910 3.2896 PRESSURE: 3170600 196.195 27.743 -187.246 27.7433 -108.264 -17.6098 -187.246 -17.61 -148.572 GPRESSURE: 3170600 228.968 79.1188 -131.404 -18.4747 -86.9355 36.7068 -230.593 -94.7259 -107.032 PRESSAVG: 3170600 36.0112 74.6041 16.0377 74.604 -3.32438 8.33722 16.0377 8.33729 -10.1417 GPRESSAVG: 3170600 35.1666 76.0348 14.9291 75.9654 -4.31025 6.41699 12.7174 9.65313 -8.44005 TIMING: 3170600 CPU: 9548.55, 0.0029917/step Wall: 9548.55, 0.0029917/step, 1.52028 hours remaining, 208.625000 MB of memory in use. ENERGY: 3170600 704.6076 2098.5471 1948.4277 114.2457 -206324.7997 17879.4297 0.0000 0.0000 34294.2037 -149285.3383 299.4998 -183579.5420 -149184.6387 299.2504 -20.2139 11.6669 558781.4751 7.5150 7.4721 PRESSURE: 3170800 -105.562 131.398 158.519 131.398 55.6165 68.7305 158.519 68.7303 6.96088 GPRESSURE: 3170800 -69.2343 113.681 206.316 132.994 73.4758 90.0958 74.3506 53.5707 54.7694 PRESSAVG: 3170800 62.1471 5.36744 -7.55265 5.36743 47.9312 -13.5934 -7.55269 -13.5933 -39.9221 GPRESSAVG: 3170800 62.627 3.25701 -6.55809 5.11827 47.6786 -11.9764 -7.42472 -15.0485 -40.1674 TIMING: 3170800 CPU: 9549.16, 0.00304539/step Wall: 9549.16, 0.00304539/step, 1.5474 hours remaining, 208.625000 MB of memory in use. ENERGY: 3170800 781.0783 2085.9490 1927.0521 106.2563 -206552.6013 18020.8575 0.0000 0.0000 34322.7243 -149308.6838 299.7489 -183631.4082 -149217.9282 299.3842 -14.3284 19.6703 557831.7636 23.3854 23.3794 PRESSURE: 3171000 -284.119 -34.2453 200.944 -34.2449 -52.0717 71.7301 200.945 71.7298 236.082 GPRESSURE: 3171000 -172.286 -19.2609 192.671 -44.4119 -40.2067 53.9018 185.695 42.082 215.443 PRESSAVG: 3171000 1.95068 7.67564 62.0409 7.67563 -47.8289 -0.465329 62.0409 -0.465243 66.4951 GPRESSAVG: 3171000 0.732889 8.45684 65.4502 7.22408 -46.0951 -1.15045 61.4984 1.51761 65.9032 TIMING: 3171000 CPU: 9549.76, 0.00300059/step Wall: 9549.76, 0.00300059/step, 1.52447 hours remaining, 208.625000 MB of memory in use. ENERGY: 3171000 752.8800 2057.1683 1930.2888 113.7604 -206212.1707 17842.6574 0.0000 0.0000 34318.4617 -149196.9541 299.7117 -183515.4157 -149095.1041 299.6140 -33.3698 0.9833 557736.8068 6.8723 6.8470 PRESSURE: 3171200 -57.7823 52.1804 -91.064 52.1804 -276.489 -15.2266 -91.0625 -15.2273 103.305 GPRESSURE: 3171200 -21.285 89.2632 -103.544 56.652 -265.145 34.056 -107.232 -37.9845 145.825 PRESSAVG: 3171200 -56.0162 10.9929 20.9803 10.9929 -24.593 25.5756 20.9804 25.5756 60.227 GPRESSAVG: 3171200 -55.5957 13.0243 18.6823 11.3159 -26.1162 26.3731 22.055 24.3276 61.0504 TIMING: 3171200 CPU: 9550.36, 0.00300894/step Wall: 9550.36, 0.00300894/step, 1.52854 hours remaining, 208.625000 MB of memory in use. ENERGY: 3171200 761.2192 2045.0608 1902.7158 114.2681 -205915.9002 17794.9180 0.0000 0.0000 34037.0589 -149260.6594 297.2541 -183297.7183 -149162.2870 298.9711 -76.9887 -46.8684 558308.9446 -6.7941 -6.8872 PRESSURE: 3171400 97.5937 0.560993 94.7844 0.562525 173.774 -180.565 94.7853 -180.565 142.635 GPRESSURE: 3171400 136.082 8.26409 97.0437 8.55787 263.317 -224.391 79.6322 -156.424 114.906 PRESSAVG: 3171400 -11.3155 -7.54529 40.0269 -7.54529 -1.26 -12.5633 40.0267 -12.5633 29.3994 GPRESSAVG: 3171400 -11.789 -9.19518 40.0244 -7.84548 -0.491031 -11.6668 39.3862 -12.8112 28.8692 TIMING: 3171400 CPU: 9550.97, 0.00302978/step Wall: 9550.97, 0.00302978/step, 1.53896 hours remaining, 208.625000 MB of memory in use. ENERGY: 3171400 707.9224 2012.5450 1953.1574 104.7580 -206280.3339 17989.4661 0.0000 0.0000 34163.1563 -149349.3288 298.3553 -183512.4850 -149249.7132 298.7716 138.0010 171.4348 557229.1633 5.6079 5.5297 PRESSURE: 3171600 -379.254 -112.561 37.1756 -112.56 -350.807 -63.5014 37.175 -63.5038 -234.973 GPRESSURE: 3171600 -257.697 -46.8546 26.218 -64.7585 -340.553 -134.059 24.7315 -78.0277 -263.261 PRESSAVG: 3171600 48.7172 9.91364 -6.97293 9.9137 -22.8662 7.42463 -6.97278 7.42457 -3.86556 GPRESSAVG: 3171600 50.9534 11.8457 -7.52326 9.40252 -23.1178 5.60705 -6.01181 7.85999 -5.21422 TIMING: 3171600 CPU: 9551.58, 0.00302365/step Wall: 9551.58, 0.00302365/step, 1.53568 hours remaining, 208.625000 MB of memory in use. ENERGY: 3171600 772.3590 2074.9911 1942.4726 115.6920 -205632.3856 17283.8334 0.0000 0.0000 34151.1897 -149291.8478 298.2508 -183443.0375 -149201.9959 298.5443 -321.6780 -287.1705 558445.8354 7.3285 7.5405 PRESSURE: 3171800 -134.071 6.08746 115.908 6.08859 -118.049 -37.7439 115.909 -37.7436 -456.45 GPRESSURE: 3171800 -116.047 -29.977 110.982 51.0995 -108.319 83.8515 143.682 -52.1164 -388.322 PRESSAVG: 3171800 36.0741 -17.4507 19.4515 -17.4506 27.4885 -32.8362 19.4515 -32.8363 -85.0614 GPRESSAVG: 3171800 34.9557 -19.1873 18.3026 -16.7501 27.0837 -32.1829 19.4864 -31.2991 -83.6825 TIMING: 3171800 CPU: 9552.17, 0.00299467/step Wall: 9552.17, 0.00299467/step, 1.5208 hours remaining, 208.625000 MB of memory in use. ENERGY: 3171800 757.0262 2017.3625 1927.6462 116.8839 -205952.5673 17487.5184 0.0000 0.0000 34313.3842 -149332.7460 299.6673 -183646.1302 -149238.2541 298.0103 -236.1898 -204.2293 556776.0573 -7.1663 -7.2144 PRESSURE: 3172000 -99.8024 -86.8091 197.639 -86.8084 13.6518 150.074 197.64 150.072 -251.719 GPRESSURE: 3172000 -65.4327 -168.439 158.642 14.7226 57.5441 179.79 170.795 90.0973 -235.195 PRESSAVG: 3172000 -35.1832 -2.47241 19.151 -2.47244 18.4817 -21.252 19.151 -21.2519 37.8552 GPRESSAVG: 3172000 -36.7278 -0.560815 20.0801 -2.32846 19.6386 -20.4696 18.3 -22.6461 38.3941 TIMING: 3172000 CPU: 9552.78, 0.00301119/step Wall: 9552.78, 0.00301119/step, 1.52902 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: 3172000 736.0104 2082.0269 1904.6574 105.7071 -205993.6207 17635.6330 0.0000 0.0000 34264.5539 -149265.0320 299.2409 -183529.5859 -149174.2305 299.3266 -112.6232 -81.0279 557755.2671 7.0513 7.1016 PRESSURE: 3172200 147.033 -219.532 142.325 -219.533 -25.7366 -203.278 142.325 -203.276 -254.177 GPRESSURE: 3172200 185.919 -150.471 142.234 -209.223 -0.806994 -177.005 112.215 -221.97 -224.181 PRESSAVG: 3172200 -20.0681 -49.6525 -19.9921 -49.6525 33.0324 -7.6394 -19.9922 -7.63934 -33.1318 GPRESSAVG: 3172200 -19.1904 -51.4827 -18.8206 -48.8512 31.9446 -8.42187 -20.7268 -7.16213 -33.0034 TIMING: 3172200 CPU: 9553.38, 0.00299532/step Wall: 9553.38, 0.00299532/step, 1.52079 hours remaining, 208.625000 MB of memory in use. ENERGY: 3172200 732.4681 2049.8707 1930.5686 107.1150 -206205.9328 17714.2748 0.0000 0.0000 34316.2151 -149355.4205 299.6920 -183671.6356 -149257.4813 299.4087 -44.2935 -13.0230 556319.3363 -6.7225 -6.7497 LDB: ============= START OF LOAD BALANCING ============== 9556.89 LDB: ============== END OF LOAD BALANCING =============== 9556.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9556.9 LDB: ============= START OF LOAD BALANCING ============== 9557.2 LDB: Largest compute 4802 load 0.031379 is 26.6% of average load 0.118145 LDB: Average compute 0.001729 is 1.5% of average load 0.118145 LDB: TIME 9557.2 LOAD: AVG 0.118145 MAX 0.209683 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.762 MB LDB: TIME 9557.2 LOAD: AVG 0.118145 MAX 0.209683 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.832 MB LDB: TIME 9557.2 LOAD: AVG 0.118145 MAX 0.209683 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.832 MB LDB: ============== END OF LOAD BALANCING =============== 9557.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9557.21 PRESSURE: 3172400 134.655 -26.374 149.993 -26.3743 54.7177 -7.35353 149.993 -7.35449 10.9797 GPRESSURE: 3172400 180.872 -0.551739 180.333 -131.923 27.3442 -156.481 194.677 63.8744 96.4591 PRESSAVG: 3172400 -37.8336 -43.7974 6.74321 -43.7974 75.3104 -73.1138 6.74319 -73.1139 -5.04691 GPRESSAVG: 3172400 -38.1373 -44.8208 6.59396 -43.6048 75.6311 -72.9637 9.11922 -72.9739 -5.34578 TIMING: 3172400 CPU: 9553.99, 0.00308337/step Wall: 9553.99, 0.00308337/step, 1.56532 hours remaining, 209.183594 MB of memory in use. ENERGY: 3172400 738.7077 2044.8782 1953.0777 93.5859 -206588.1078 18025.4973 0.0000 0.0000 34394.2356 -149338.1256 300.3734 -183732.3611 -149236.8535 298.5639 66.7842 101.5586 556102.1901 10.8099 10.7160 PRESSURE: 3172600 59.2268 -53.9012 -56.9327 -53.9009 137.181 -26.9747 -56.9323 -26.9753 1.8141 GPRESSURE: 3172600 99.4725 -67.2934 -62.9654 -10.6201 165.817 58.2183 -63.0315 -97.4623 41.107 PRESSAVG: 3172600 41.4022 -12.7321 -3.83166 -12.732 6.31316 27.7376 -3.83165 27.7377 16.7105 GPRESSAVG: 3172600 41.4684 -12.4484 -3.23679 -12.2117 6.15105 28.8178 -6.27087 28.3152 16.1322 TIMING: 3172600 CPU: 9554.59, 0.00299955/step Wall: 9554.59, 0.00299955/step, 1.52261 hours remaining, 209.183594 MB of memory in use. ENERGY: 3172600 712.1091 2088.1128 1916.6592 108.3491 -206173.7698 17813.2821 0.0000 0.0000 34243.0271 -149292.2304 299.0529 -183535.2575 -149196.1419 299.3668 66.0738 102.1322 555895.1453 21.4753 21.2505 PRESSURE: 3172800 134.749 -3.62615 12.6959 -3.62648 111.728 55.2792 12.6953 55.28 233.27 GPRESSURE: 3172800 121.126 -14.1873 -10.6935 -7.07546 123.272 96.4638 88.3641 49.043 327.759 PRESSAVG: 3172800 -26.1461 -40.1805 4.17673 -40.1807 7.29906 -22.8777 4.17679 -22.8777 61.7874 GPRESSAVG: 3172800 -26.577 -38.1255 3.55666 -42.744 7.48754 -22.3696 4.86328 -24.0901 61.9723 TIMING: 3172800 CPU: 9555.19, 0.00300719/step Wall: 9555.19, 0.00300719/step, 1.52632 hours remaining, 209.183594 MB of memory in use. ENERGY: 3172800 717.7196 2069.6624 1919.2469 108.5631 -206185.2835 17720.9140 0.0000 0.0000 34304.7554 -149344.4220 299.5920 -183649.1774 -149248.8668 299.2769 159.9159 190.7189 555566.5939 14.3135 14.2943 PRESSURE: 3173000 -71.0221 279.924 7.28283 279.924 -67.1883 41.7519 7.28364 41.7516 -111.721 GPRESSURE: 3173000 -60.3479 232.817 -69.3457 261.87 -8.80982 23.4349 70.8778 -21.0521 -85.9786 PRESSAVG: 3173000 10.5218 -4.99095 -0.381372 -4.99093 -33.1098 -41.2799 -0.381337 -41.2799 -39.9509 GPRESSAVG: 3173000 10.4235 -4.94159 -1.27334 -4.00674 -32.6376 -43.7284 -0.560022 -40.5909 -40.5757 TIMING: 3173000 CPU: 9555.79, 0.0030015/step Wall: 9555.79, 0.0030015/step, 1.52326 hours remaining, 209.183594 MB of memory in use. ENERGY: 3173000 742.3674 2065.1768 1954.9790 112.2146 -205894.0068 17749.7175 0.0000 0.0000 33930.3545 -149339.1970 296.3222 -183269.5515 -149244.9272 298.5703 -83.3104 -51.7121 558311.6905 -20.8463 -20.9299 PRESSURE: 3173200 42.2854 23.4105 55.9248 23.4113 -71.0757 -98.356 55.925 -98.356 -181.548 GPRESSURE: 3173200 46.7708 -47.4557 41.3694 84.8869 -83.3171 -41.4794 17.154 -92.7379 -86.5757 PRESSAVG: 3173200 28.7991 12.2623 8.74228 12.2622 16.8277 11.1714 8.74225 11.1713 -2.55378 GPRESSAVG: 3173200 30.4205 11.0433 9.39364 13.8392 14.5849 12.5857 9.14317 10.4706 -2.25288 TIMING: 3173200 CPU: 9556.39, 0.00298569/step Wall: 9556.39, 0.00298569/step, 1.51507 hours remaining, 209.183594 MB of memory in use. ENERGY: 3173200 762.1342 2040.0539 1948.8550 103.1804 -205929.0213 17690.1243 0.0000 0.0000 34127.3733 -149257.3002 298.0428 -183384.6735 -149163.4877 298.5412 -70.1126 -41.0407 558311.9236 14.3577 14.2509 PRESSURE: 3173400 3.8371 -59.1557 21.0247 -59.1551 -293.338 13.6986 21.0243 13.6987 -106.314 GPRESSURE: 3173400 36.0317 -69.8513 56.9549 -110.506 -240.181 21.5871 15.2494 81.5762 -82.5313 PRESSAVG: 3173400 10.2019 7.20081 6.34731 7.2008 53.4066 -13.1711 6.34736 -13.1711 -35.953 GPRESSAVG: 3173400 8.4401 8.28302 6.57572 7.05927 53.3705 -15.1027 7.08508 -13.2585 -34.3959 TIMING: 3173400 CPU: 9556.99, 0.0029949/step Wall: 9556.99, 0.0029949/step, 1.51958 hours remaining, 209.183594 MB of memory in use. ENERGY: 3173400 703.0666 2073.3302 1916.2361 118.0652 -205836.2250 17499.6060 0.0000 0.0000 34232.2794 -149293.6414 298.9590 -183525.9208 -149193.1239 299.2701 -131.9383 -95.5602 558546.8851 9.2185 9.1382 PRESSURE: 3173600 -91.6848 -21.9961 -199.127 -21.996 165.164 -143.265 -199.126 -143.266 -45.7735 GPRESSURE: 3173600 -75.0063 33.4512 -140.473 -56.4776 165.631 -146.084 -139.141 -66.5123 28.2984 PRESSAVG: 3173600 -32.3736 2.69858 -71.3095 2.69861 9.36219 -57.473 -71.3095 -57.473 18.826 GPRESSAVG: 3173600 -32.5706 2.61809 -70.5531 2.34988 10.9333 -56.9184 -71.568 -58.4614 17.2766 TIMING: 3173600 CPU: 9557.59, 0.00302016/step Wall: 9557.59, 0.00302016/step, 1.53223 hours remaining, 209.183594 MB of memory in use. ENERGY: 3173600 702.6763 2057.9239 1945.1962 107.1210 -206335.9382 17992.0867 0.0000 0.0000 34009.4828 -149521.4513 297.0133 -183530.9341 -149422.9578 298.5445 9.2352 39.6409 557762.3011 -1.3951 -1.4536 PRESSURE: 3173800 -26.0384 -104.384 -186.399 -104.385 -55.9632 151.903 -186.398 151.903 96.0557 GPRESSURE: 3173800 14.9053 -57.0041 -103.813 -68.3738 -25.3976 142.749 -209.908 150.001 115.533 PRESSAVG: 3173800 17.1369 20.2015 -76.5587 20.2015 -18.3363 -12.1831 -76.5587 -12.1831 -14.9319 GPRESSAVG: 3173800 18.1477 19.0278 -78.2428 22.1892 -18.5358 -9.62998 -76.2384 -12.5448 -15.6142 TIMING: 3173800 CPU: 9558.2, 0.00302217/step Wall: 9558.2, 0.00302217/step, 1.53308 hours remaining, 209.183594 MB of memory in use. ENERGY: 3173800 734.3932 2017.2528 1937.3400 112.2307 -206322.9579 17979.0583 0.0000 0.0000 34014.7532 -149527.9297 297.0593 -183542.6829 -149435.0884 298.1064 4.6847 35.0135 558805.2103 -5.3771 -5.3341 PRESSURE: 3174000 -180.267 57.1302 -32.4841 57.1299 -162.143 -212.772 -32.484 -212.773 -181.922 GPRESSURE: 3174000 -183.095 60.3569 12.9493 130.65 -119.051 -131.475 -47.4736 -242.573 -122.767 PRESSAVG: 3174000 20.5967 4.97017 -97.9471 4.97011 -45.7851 8.40091 -97.9471 8.40078 35.7536 GPRESSAVG: 3174000 20.0579 5.89904 -93.9048 3.08051 -46.4987 6.78799 -101.639 9.25294 37.1779 TIMING: 3174000 CPU: 9558.8, 0.00300962/step Wall: 9558.8, 0.00300962/step, 1.52655 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: 3174000 750.6728 2064.4700 1958.0101 115.1381 -206082.3641 17622.3115 0.0000 0.0000 33973.5840 -149598.1776 296.6998 -183571.7617 -149510.9699 298.2318 -174.7775 -141.6376 556930.6314 3.5218 3.5791 PRESSURE: 3174200 63.8453 -77.2014 -46.4685 -77.2009 -161.215 -25.4373 -46.4684 -25.4381 148.78 GPRESSURE: 3174200 94.6223 -54.8973 17.605 -77.7979 -128.912 -1.09372 -29.4341 -28.7165 182.639 PRESSAVG: 3174200 13.0074 -6.12717 -19.4053 -6.12721 -66.5092 -90.7776 -19.4053 -90.7773 13.4363 GPRESSAVG: 3174200 12.8488 -6.54156 -21.1942 -6.93191 -66.2935 -92.212 -18.5181 -90.8067 13.1267 TIMING: 3174200 CPU: 9559.4, 0.00302158/step Wall: 9559.4, 0.00302158/step, 1.53245 hours remaining, 209.183594 MB of memory in use. ENERGY: 3174200 746.9712 2099.4321 1934.6899 121.3800 -206499.3196 17916.5678 0.0000 0.0000 34081.3667 -149598.9118 297.6411 -183680.2785 -149502.9878 297.8919 17.1367 49.4496 556219.5416 -13.3552 -13.4393 PRESSURE: 3174400 -9.46406 -133.09 188.099 -133.09 -32.3983 203.597 188.098 203.597 -99.6218 GPRESSURE: 3174400 5.5202 -199.519 128.389 -84.5078 24.7386 180.281 154.134 208.363 -72.8341 PRESSAVG: 3174400 49.9927 17.217 45.9446 17.217 42.8344 17.3974 45.9446 17.3973 -37.3264 GPRESSAVG: 3174400 50.4377 17.8212 44.4159 18.3892 43.3309 18.8192 47.9645 16.6076 -38.4759 TIMING: 3174400 CPU: 9560, 0.00296509/step Wall: 9560, 0.00296509/step, 1.50363 hours remaining, 209.183594 MB of memory in use. ENERGY: 3174400 736.8492 2046.0989 1938.7941 110.9315 -206230.5997 17686.6564 0.0000 0.0000 34429.5456 -149281.7240 300.6818 -183711.2695 -149191.4208 298.9212 -47.1614 -14.1918 556240.1668 18.5002 18.4309 PRESSURE: 3174600 -123.957 21.998 -17.5198 21.9981 -286.46 4.18869 -17.5197 4.18965 135.598 GPRESSURE: 3174600 -96.2394 68.6737 6.23889 55.996 -252.818 50.0814 -107.755 -10.6805 167.94 PRESSAVG: 3174600 -27.8385 -0.1438 22.5998 -0.143708 -17.4536 32.4011 22.5997 32.4011 66.6372 GPRESSAVG: 3174600 -27.8766 -0.268798 24.6155 0.642736 -17.5581 32.6788 21.1702 34.2854 66.8987 TIMING: 3174600 CPU: 9560.6, 0.00300242/step Wall: 9560.6, 0.00300242/step, 1.52239 hours remaining, 209.183594 MB of memory in use. ENERGY: 3174600 742.7151 2041.7500 1963.1547 106.0295 -206057.2091 17739.1980 0.0000 0.0000 34369.2303 -149095.1315 300.1550 -183464.3618 -148998.6365 299.5222 -91.6066 -60.3725 558694.9835 7.1150 7.1547 PRESSURE: 3174800 -107.376 122.901 -67.466 122.901 -102.254 32.4359 -67.4666 32.4381 107.508 GPRESSURE: 3174800 -122.503 147.314 -22.5939 134.553 -74.9923 28.1401 21.322 44.784 194.283 PRESSAVG: 3174800 -52.8612 15.4326 4.19924 15.4325 -73.3709 -4.98962 4.19929 -4.98958 86.5505 GPRESSAVG: 3174800 -54.2933 15.9737 5.66033 13.7358 -72.6105 -5.39235 3.84214 -6.17442 87.0038 TIMING: 3174800 CPU: 9561.19, 0.00297421/step Wall: 9561.19, 0.00297421/step, 1.50793 hours remaining, 209.183594 MB of memory in use. ENERGY: 3174800 747.1455 2094.5327 1919.6460 109.5661 -205793.0939 17652.8746 0.0000 0.0000 34332.4472 -148936.8817 299.8338 -183269.3290 -148837.2501 299.7195 -34.0406 -1.0709 557263.8662 -13.2272 -13.3000 PRESSURE: 3175000 -134.131 -127.832 -21.9778 -127.832 217.928 -170.835 -21.9789 -170.836 69.8435 GPRESSURE: 3175000 -155.371 -137.681 22.3804 -64.2405 289.668 -167.01 -2.5458 -205.508 118.118 PRESSAVG: 3175000 -13.8587 50.1362 16.8066 50.1362 -51.9501 32.5146 16.8065 32.5147 52.3546 GPRESSAVG: 3175000 -12.2345 50.9589 13.8603 50.286 -53.5396 34.3251 18.1573 31.8594 52.2375 TIMING: 3175000 CPU: 9561.79, 0.0030045/step Wall: 9561.79, 0.0030045/step, 1.52312 hours remaining, 209.183594 MB of memory in use. ENERGY: 3175000 758.9172 2073.5936 1956.2921 102.0081 -205859.5376 17748.0797 0.0000 0.0000 34322.7516 -148897.8955 299.7491 -183220.6471 -148800.6600 300.3356 51.2134 84.1383 557487.4829 -4.4847 -4.5122 PRESSURE: 3175200 -134.281 150.63 -85.1921 150.63 -27.0634 6.58934 -85.1915 6.58942 378.511 GPRESSURE: 3175200 -77.7131 195.929 -15.8575 152.732 -1.05286 80.2812 -92.704 10.6939 401.965 PRESSAVG: 3175200 -74.4096 47.1461 18.7447 47.1462 -0.0150772 49.9637 18.7448 49.9637 80.0693 GPRESSAVG: 3175200 -75.2962 47.0572 17.6987 45.9573 0.2874 47.0301 18.5807 51.9114 80.9516 TIMING: 3175200 CPU: 9562.39, 0.00298307/step Wall: 9562.39, 0.00298307/step, 1.51209 hours remaining, 209.183594 MB of memory in use. ENERGY: 3175200 732.6066 2120.8285 1924.2901 109.0823 -206006.3059 17709.0052 0.0000 0.0000 34564.0662 -148846.4270 301.8566 -183410.4932 -148742.4398 300.2316 72.3890 107.7329 557737.5239 1.8815 1.9809 PRESSURE: 3175400 -149.596 -28.4145 166.86 -28.414 -77.71 154.126 166.861 154.126 -1.17143 GPRESSURE: 3175400 -101.913 66.0694 88.6079 0.918978 -6.67904 175.208 262.567 136.452 -20.9518 PRESSAVG: 3175400 -63.2651 59.9153 2.23059 59.9153 8.70178 35.0751 2.23064 35.0752 96.2913 GPRESSAVG: 3175400 -63.2494 58.4268 3.48819 61.4518 8.68148 36.0014 1.03237 34.5589 95.9702 TIMING: 3175400 CPU: 9562.98, 0.00295751/step Wall: 9562.98, 0.00295751/step, 1.49897 hours remaining, 209.183594 MB of memory in use. ENERGY: 3175400 775.8703 2101.8613 1914.9466 111.8129 -205794.2135 17659.1908 0.0000 0.0000 34388.3838 -148842.1478 300.3223 -183230.5316 -148752.6216 300.3455 -76.1591 -43.1814 557208.2752 13.9093 13.8008 PRESSURE: 3175600 4.4079 -95.5083 -46.8702 -95.5079 83.2692 133.526 -46.8712 133.528 -136.115 GPRESSURE: 3175600 34.7886 -172.569 -67.7701 -57.1595 139.326 61.0849 14.4638 152.102 -127.177 PRESSAVG: 3175600 -19.5465 -13.5778 87.5712 -13.5777 43.2588 48.4921 87.5712 48.492 -14.3861 GPRESSAVG: 3175600 -19.5631 -12.4949 87.1257 -13.3705 43.5786 47.9762 87.7308 48.9712 -14.74 TIMING: 3175600 CPU: 9563.58, 0.00296846/step Wall: 9563.58, 0.00296846/step, 1.50435 hours remaining, 209.183594 MB of memory in use. ENERGY: 3175600 732.6430 2036.2475 1927.4049 111.8923 -205928.3849 17534.4924 0.0000 0.0000 34445.4877 -149140.2171 300.8210 -183585.7047 -149039.8884 300.2537 -16.1460 15.6458 555333.4713 3.1088 3.0918 PRESSURE: 3175800 -51.255 -314.847 -186.198 -314.847 -29.7376 44.7802 -186.199 44.7786 92.8235 GPRESSURE: 3175800 -25.6182 -238.172 -115.395 -314.557 29.1241 0.206842 -192.609 22.8119 108.428 PRESSAVG: 3175800 -10.2278 -18.206 21.9809 -18.2059 70.0123 -5.15303 21.9809 -5.15317 -35.2519 GPRESSAVG: 3175800 -10.9436 -19.5711 23.7681 -18.8892 69.1219 -4.59871 22.0679 -6.70508 -33.6555 TIMING: 3175800 CPU: 9564.17, 0.00297658/step Wall: 9564.17, 0.00297658/step, 1.5083 hours remaining, 209.183594 MB of memory in use. ENERGY: 3175800 741.7643 2047.1781 1943.4696 103.8516 -205993.7401 17707.0056 0.0000 0.0000 34278.0481 -149172.4227 299.3587 -183450.4709 -149072.7242 299.3884 3.9437 37.3113 556475.6650 8.1775 8.1743 PRESSURE: 3176000 -14.4737 -27.2851 -22.8799 -27.2853 232.272 174.381 -22.88 174.382 -95.4523 GPRESSURE: 3176000 38.0274 -79.3588 32.985 -70.0447 218.979 194.148 -95.7116 167.503 -37.4702 PRESSAVG: 3176000 -30.7924 -20.2537 -8.79411 -20.2538 -10.7339 -19.8268 -8.79424 -19.8269 13.966 GPRESSAVG: 3176000 -31.1886 -19.2183 -9.49675 -21.7539 -11.32 -21.4521 -7.26059 -17.4362 14.6275 TIMING: 3176000 CPU: 9564.77, 0.00299584/step Wall: 9564.77, 0.00299584/step, 1.51789 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: 3176000 757.3412 2042.2680 1942.0194 107.4453 -206186.1779 17959.6324 0.0000 0.0000 34259.3555 -149118.1162 299.1955 -183377.4716 -149022.5161 299.0792 40.7822 73.1787 556760.9157 -9.1868 -9.2937 PRESSURE: 3176200 -258.593 123.509 -44.7599 123.509 37.0128 -123.98 -44.7601 -123.979 122.566 GPRESSURE: 3176200 -231.269 218.678 -55.1424 162.802 43.6473 -89.9211 -24.6374 -194.847 172.404 PRESSAVG: 3176200 -79.8349 16.2503 -20.0329 16.2503 63.6715 16.3267 -20.0328 16.3266 29.666 GPRESSAVG: 3176200 -78.0204 17.5845 -20.6967 16.1197 64.7154 18.0957 -20.8173 15.4018 27.186 TIMING: 3176200 CPU: 9565.37, 0.00302088/step Wall: 9565.37, 0.00302088/step, 1.53041 hours remaining, 209.183594 MB of memory in use. ENERGY: 3176200 738.9938 2094.4312 1941.7605 120.3479 -205982.9555 17765.6808 0.0000 0.0000 34236.0793 -149085.6619 298.9922 -183321.7412 -148996.1163 299.8313 -33.0047 -5.0725 558391.6139 4.5009 4.6270 LDB: ============= START OF LOAD BALANCING ============== 9568.89 LDB: ============== END OF LOAD BALANCING =============== 9568.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9568.89 LDB: ============= START OF LOAD BALANCING ============== 9569.2 LDB: Largest compute 4802 load 0.031243 is 26.4% of average load 0.118183 LDB: Average compute 0.001738 is 1.5% of average load 0.118183 LDB: TIME 9569.2 LOAD: AVG 0.118183 MAX 0.208137 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.469 MB LDB: TIME 9569.2 LOAD: AVG 0.118183 MAX 0.208137 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.469 MB LDB: TIME 9569.2 LOAD: AVG 0.118183 MAX 0.208137 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.469 MB LDB: ============== END OF LOAD BALANCING =============== 9569.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9569.21 PRESSURE: 3176400 -10.0295 -50.4892 -70.3466 -50.489 21.9697 -154.599 -70.3473 -154.598 75.1167 GPRESSURE: 3176400 9.60964 -17.6927 -141.433 -4.11975 5.267 -115.995 -31.7156 -177.807 155.362 PRESSAVG: 3176400 2.62107 28.9848 -38.3606 28.9848 32.7961 -8.59502 -38.3606 -8.59504 -39.0308 GPRESSAVG: 3176400 1.50881 26.8961 -36.7096 30.7725 33.3481 -8.25754 -39.4718 -7.96431 -38.6549 TIMING: 3176400 CPU: 9565.99, 0.00308198/step Wall: 9565.99, 0.00308198/step, 1.56119 hours remaining, 210.136719 MB of memory in use. ENERGY: 3176400 742.1636 2086.0547 1942.7232 117.4253 -205981.8664 17741.4273 0.0000 0.0000 34096.9442 -149255.1280 297.7771 -183352.0722 -149156.6604 300.3246 29.0190 56.7462 557469.2203 -1.2045 -1.2660 PRESSURE: 3176600 -34.74 18.5254 83.8326 18.5264 -261.829 40.9103 83.8314 40.9109 -451.664 GPRESSURE: 3176600 38.227 108.929 113.763 -56.3999 -280.128 116.862 87.5896 -45.9298 -401.612 PRESSAVG: 3176600 85.8699 -23.995 8.10218 -23.9951 -17.5298 4.66985 8.10215 4.66997 -17.885 GPRESSAVG: 3176600 87.5304 -23.3855 6.96317 -24.4249 -19.2043 5.1968 7.74164 1.71091 -17.5861 TIMING: 3176600 CPU: 9566.59, 0.00301909/step Wall: 9566.59, 0.00301909/step, 1.52917 hours remaining, 210.339844 MB of memory in use. ENERGY: 3176600 721.6972 2034.7070 1937.6682 98.7154 -205940.3366 17483.9049 0.0000 0.0000 34285.8097 -149377.8342 299.4265 -183663.6439 -149281.6070 299.0837 -249.4111 -214.5043 558170.3727 16.8184 16.9134 PRESSURE: 3176800 206.68 19.9405 -104.912 19.9413 136.953 -49.9978 -104.912 -49.9984 -6.02307 GPRESSURE: 3176800 238.324 13.0943 -84.5518 9.09566 124.31 -18.5288 -131.098 -45.1462 76.2353 PRESSAVG: 3176800 78.1716 -52.684 0.456918 -52.6841 -33.5701 -11.1997 0.456983 -11.1996 -6.17881 GPRESSAVG: 3176800 76.4359 -53.2616 0.714628 -54.7872 -32.193 -12.4883 2.25 -8.74997 -6.23374 TIMING: 3176800 CPU: 9567.19, 0.00299667/step Wall: 9567.19, 0.00299667/step, 1.51765 hours remaining, 210.339844 MB of memory in use. ENERGY: 3176800 765.9436 2098.9282 1925.3806 115.9163 -206633.7045 18061.0363 0.0000 0.0000 34054.0512 -149612.4482 297.4025 -183666.4995 -149521.4574 298.3832 112.5367 146.2898 556542.6249 12.8076 12.6697 PRESSURE: 3177000 -185.545 -64.8419 -2.47018 -64.8432 -109.36 3.15999 -2.47085 3.15957 56.9114 GPRESSURE: 3177000 -149.412 -57.5044 1.20565 -46.3459 -72.1752 42.5849 -22.8145 -14.8404 71.2939 PRESSAVG: 3177000 21.6431 55.0265 -43.6668 55.0264 -0.720548 29.949 -43.6669 29.9489 -20.2616 GPRESSAVG: 3177000 22.12 55.7987 -43.2059 53.5016 -1.6477 29.1728 -43.3649 30.666 -19.581 TIMING: 3177000 CPU: 9567.79, 0.00297055/step Wall: 9567.79, 0.00297055/step, 1.50426 hours remaining, 210.339844 MB of memory in use. ENERGY: 3177000 739.0820 2077.8676 1951.7583 111.1553 -206603.3821 17876.7161 0.0000 0.0000 34234.3059 -149612.4969 298.9767 -183846.8029 -149512.7606 298.0595 -79.3312 -50.0976 556219.8888 0.2203 0.2971 PRESSURE: 3177200 -148.355 -127.297 -13.988 -127.295 -142.47 65.1867 -13.9875 65.1874 -164.332 GPRESSURE: 3177200 -79.7198 -95.7109 -55.2674 -107.055 -98.3613 -18.2133 -10.9368 38.9969 -192.068 PRESSAVG: 3177200 43.2395 -2.45942 -27.8573 -2.45953 -35.5343 -48.7934 -27.8573 -48.7935 -2.34345 GPRESSAVG: 3177200 43.0052 -2.17304 -28.964 -0.414155 -35.1131 -47.936 -28.9067 -49.5435 -2.75189 TIMING: 3177200 CPU: 9568.38, 0.00296574/step Wall: 9568.38, 0.00296574/step, 1.50165 hours remaining, 210.339844 MB of memory in use. ENERGY: 3177200 727.0829 2170.7626 1914.2685 99.4197 -206187.3268 17539.9023 0.0000 0.0000 34234.9899 -149500.9009 298.9827 -183735.8908 -149401.5666 298.9449 -151.7191 -123.3829 556537.6790 1.7873 1.7134 PRESSURE: 3177400 -39.7956 -73.3215 22.3752 -73.3204 -55.3427 157.028 22.3752 157.028 -191.963 GPRESSURE: 3177400 -75.0502 -24.4711 4.24033 -46.9223 36.7402 86.5795 86.6429 237.242 -143.592 PRESSAVG: 3177400 76.1662 23.6157 -87.0683 23.6156 -56.7873 43.193 -87.0682 43.193 -12.4823 GPRESSAVG: 3177400 76.0931 22.9561 -87.5127 25.6077 -56.483 44.7529 -85.7828 41.0579 -13.0193 TIMING: 3177400 CPU: 9568.97, 0.00296315/step Wall: 9568.97, 0.00296315/step, 1.50018 hours remaining, 210.339844 MB of memory in use. ENERGY: 3177400 715.4293 2068.3235 1920.8340 118.8877 -206224.4526 17728.2983 0.0000 0.0000 34106.8440 -149565.8357 297.8636 -183672.6797 -149469.9531 298.6969 -95.7005 -60.6338 556797.9822 2.2989 2.1969 PRESSURE: 3177600 -77.427 -73.8232 45.5104 -73.8231 -50.5366 -149.896 45.51 -149.896 -184.628 GPRESSURE: 3177600 -66.4054 -53.0528 109.526 -15.6682 -11.308 -185.241 6.90101 -138.712 -133.52 PRESSAVG: 3177600 27.2694 57.899 -32.9764 57.899 -32.5816 -30.9087 -32.9765 -30.9085 5.83165 GPRESSAVG: 3177600 27.5422 57.0277 -29.6376 56.6639 -33.5327 -30.9185 -34.0267 -30.4104 6.01494 TIMING: 3177600 CPU: 9569.57, 0.00299665/step Wall: 9569.57, 0.00299665/step, 1.51697 hours remaining, 210.601562 MB of memory in use. ENERGY: 3177600 746.1546 2114.0698 1916.7414 121.7637 -206123.3440 17646.1362 0.0000 0.0000 34009.0734 -149569.4048 297.0097 -183578.4781 -149477.6823 298.6408 -104.1973 -70.4111 556098.4545 0.1731 0.0082 PRESSURE: 3177800 -168.14 68.2184 -17.1941 68.2201 -383.098 25.3505 -17.1941 25.35 -325.805 GPRESSURE: 3177800 -152.629 71.7124 -44.1309 100.894 -313.373 2.27777 -46.9733 10.6839 -316.612 PRESSAVG: 3177800 35.6539 -16.82 16.4778 -16.82 -51.4679 -28.6418 16.4778 -28.6418 -10.0561 GPRESSAVG: 3177800 35.3394 -16.0538 13.2243 -16.1926 -51.7185 -29.64 17.4218 -26.5502 -9.90857 TIMING: 3177800 CPU: 9570.16, 0.00294368/step Wall: 9570.16, 0.00294368/step, 1.48999 hours remaining, 210.601562 MB of memory in use. ENERGY: 3177800 719.3427 2125.4003 1922.9666 109.8609 -205674.5538 17156.5686 0.0000 0.0000 34087.4333 -149552.9813 297.6940 -183640.4146 -149457.5331 299.0166 -292.3478 -260.8709 556568.3856 -8.6234 -8.7625 PRESSURE: 3178000 172.725 -10.3755 86.059 -10.3751 47.6083 120.43 86.0597 120.431 -11.6921 GPRESSURE: 3178000 191.575 -98.624 60.0476 10.0855 100.682 144.821 87.0882 108.438 1.49277 PRESSAVG: 3178000 -16.1013 28.3107 -17.2297 28.3107 -38.2112 22.1472 -17.2297 22.1472 37.2838 GPRESSAVG: 3178000 -16.2477 29.1851 -14.637 28.7581 -37.159 22.055 -18.906 22.7172 36.331 TIMING: 3178000 CPU: 9570.76, 0.00298967/step Wall: 9570.76, 0.00298967/step, 1.51311 hours remaining, 210.601562 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: 3178000 719.7381 2109.9674 1924.3391 111.2319 -206533.6948 17851.0237 0.0000 0.0000 34316.5874 -149500.8072 299.6953 -183817.3946 -149403.5976 298.7821 69.5472 97.9163 555363.8187 -5.6762 -5.6919 PRESSURE: 3178200 -81.0632 52.6101 -40.8919 52.6104 -288.789 -199.318 -40.8924 -199.319 -130.191 GPRESSURE: 3178200 -53.5377 -5.34952 -114.713 108.744 -194.246 -288.58 -65.6688 -189.75 -157.447 PRESSAVG: 3178200 -61.5502 42.2566 21.4346 42.2567 -3.6112 53.0782 21.4347 53.0781 16.6543 GPRESSAVG: 3178200 -62.3237 40.1498 18.9351 42.0322 -3.4347 53.2531 22.1048 52.4588 17.2803 TIMING: 3178200 CPU: 9571.36, 0.00297673/step Wall: 9571.36, 0.00297673/step, 1.50639 hours remaining, 210.601562 MB of memory in use. ENERGY: 3178200 730.1967 2113.2680 1947.1844 116.9772 -206162.8311 17498.8183 0.0000 0.0000 34238.4673 -149517.9193 299.0131 -183756.3866 -149411.7641 299.0045 -166.6811 -135.0769 556250.0901 -16.1690 -16.1594 PRESSURE: 3178400 -444.433 -91.1837 47.9769 -91.1839 -326.225 -29.353 47.9758 -29.354 -282.369 GPRESSURE: 3178400 -400.211 -89.6677 100.938 -57.9684 -344.704 -13.8525 -14.452 -46.5415 -207.45 PRESSAVG: 3178400 -45.3404 -57.343 -8.0117 -57.343 -12.4505 -8.30484 -8.0117 -8.30483 16.8172 GPRESSAVG: 3178400 -45.5558 -55.9863 -7.46391 -56.8485 -12.7157 -11.8593 -8.77446 -6.66219 17.3821 TIMING: 3178400 CPU: 9571.96, 0.00300147/step Wall: 9571.96, 0.00300147/step, 1.51874 hours remaining, 210.601562 MB of memory in use. ENERGY: 3178400 749.4087 2072.7779 1937.9756 102.1656 -205896.5039 17371.6835 0.0000 0.0000 34221.6286 -149440.8640 298.8660 -183662.4926 -149346.9717 298.9409 -351.0091 -317.4551 557045.3447 -13.6579 -13.6298 PRESSURE: 3178600 -124.334 -98.9574 18.0231 -98.9585 -119.08 29.7488 18.0212 29.7494 -29.5749 GPRESSURE: 3178600 -80.8289 -75.8574 -21.2289 -86.6447 -73.0306 48.1612 73.9106 18.2261 -20.0394 PRESSAVG: 3178600 -33.7506 -51.0671 21.0471 -51.067 -0.57929 16.7312 21.0471 16.7312 96.4096 GPRESSAVG: 3178600 -31.7369 -53.1254 19.7858 -51.879 -0.783939 20.1097 24.6735 15.7714 94.8107 TIMING: 3178600 CPU: 9572.55, 0.00298523/step Wall: 9572.55, 0.00298523/step, 1.51036 hours remaining, 210.601562 MB of memory in use. ENERGY: 3178600 742.2862 2089.0558 1920.3341 108.6031 -206131.6738 17624.3143 0.0000 0.0000 34280.0148 -149367.0654 299.3759 -183647.0803 -149262.2351 299.0017 -90.9964 -57.9663 556147.7216 20.6932 20.7633 PRESSURE: 3178800 -7.77867 -159.739 -21.5019 -159.739 -86.5418 -48.8504 -21.5011 -48.8493 93.4164 GPRESSURE: 3178800 -8.29872 -104.359 -47.3004 -192.26 -66.3027 -19.9592 -22.1971 -1.35513 163.956 PRESSAVG: 3178800 28.4281 -6.96154 -27.6017 -6.96156 -73.6045 33.815 -27.6016 33.815 26.2036 GPRESSAVG: 3178800 27.0955 -5.95847 -26.2408 -5.80417 -73.4517 32.9753 -30.3148 33.7091 27.62 TIMING: 3178800 CPU: 9573.15, 0.00299841/step Wall: 9573.15, 0.00299841/step, 1.51686 hours remaining, 210.601562 MB of memory in use. ENERGY: 3178800 791.7088 2038.4499 1927.6533 99.7753 -206620.8202 17990.9213 0.0000 0.0000 34246.9742 -149525.3374 299.0873 -183772.3117 -149422.8387 298.8201 -0.3014 29.7850 556074.2432 -6.3243 -6.2454 PRESSURE: 3179000 -330.335 -48.7049 -105.762 -48.704 102.987 184.872 -105.763 184.871 -268.749 GPRESSURE: 3179000 -240.658 -108.818 -111.754 -40.1801 123.77 160.288 -71.2346 206.398 -289.968 PRESSAVG: 3179000 -0.189661 -34.1126 -17.795 -34.1127 18.4211 18.4339 -17.7951 18.4339 -9.62229 GPRESSAVG: 3179000 0.545689 -34.4535 -16.9326 -35.0149 18.3728 18.9578 -17.1721 18.9785 -11.162 TIMING: 3179000 CPU: 9573.75, 0.0030012/step Wall: 9573.75, 0.0030012/step, 1.5181 hours remaining, 210.601562 MB of memory in use. ENERGY: 3179000 705.7814 2118.4889 1938.0446 112.8937 -206085.0880 17433.6109 0.0000 0.0000 34094.5164 -149681.7520 297.7559 -183776.2684 -149578.4628 298.4462 -165.3658 -135.6185 557681.8865 2.8697 2.5855 PRESSURE: 3179200 331.771 184.442 -14.0218 184.442 -58.0235 1.43013 -14.0218 1.43126 -125.471 GPRESSURE: 3179200 422.671 152.568 -57.0452 168.693 -90.5282 64.7696 -25.2977 -7.44778 -101.249 PRESSAVG: 3179200 83.8688 -7.62693 37.9051 -7.62683 4.62735 39.732 37.905 39.7319 -80.14 GPRESSAVG: 3179200 82.7929 -8.82337 38.0131 -6.06574 4.41335 40.5234 38.2453 39.176 -78.147 TIMING: 3179200 CPU: 9574.35, 0.00299646/step Wall: 9574.35, 0.00299646/step, 1.51554 hours remaining, 210.601562 MB of memory in use. ENERGY: 3179200 722.5693 2086.0537 1934.5096 106.9521 -206879.5924 18178.6397 0.0000 0.0000 34118.3132 -149732.5548 297.9637 -183850.8679 -149630.9370 298.1768 49.4257 76.9646 558147.5397 2.7854 3.0198 PRESSURE: 3179400 -110.188 51.9581 -41.5223 51.9578 -120.156 77.9124 -41.5221 77.9129 -4.99933 GPRESSURE: 3179400 -88.1997 16.0489 -8.75196 123.293 -94.4447 136.675 -143.164 67.7592 30.3805 PRESSAVG: 3179400 -37.5219 34.6623 6.57356 34.6624 -34.6173 -2.65948 6.57346 -2.65947 37.7898 GPRESSAVG: 3179400 -37.5413 36.6863 6.38461 35.057 -34.5882 -2.47999 5.02571 -3.2098 37.6555 TIMING: 3179400 CPU: 9574.95, 0.00300417/step Wall: 9574.95, 0.00300417/step, 1.51928 hours remaining, 210.601562 MB of memory in use. ENERGY: 3179400 744.3162 2079.3006 1910.7863 123.5360 -206921.7451 17943.3410 0.0000 0.0000 34274.3334 -149846.1315 299.3263 -184120.4650 -149748.0402 297.9474 -78.4478 -50.7546 558032.7046 -11.4498 -11.4913 PRESSURE: 3179600 14.9156 -76.108 -15.1005 -76.1081 -25.5378 160.555 -15.1021 160.554 103.588 GPRESSURE: 3179600 -2.38463 -80.8228 23.5202 -45.8538 10.7947 207.122 -35.2585 197.931 179.123 PRESSAVG: 3179600 -73.6263 -41.1403 22.2477 -41.1403 88.9242 -20.0883 22.2478 -20.0883 -14.3722 GPRESSAVG: 3179600 -74.0663 -42.4703 21.1428 -40.5566 88.9888 -19.1938 23.3566 -21.3689 -13.8393 TIMING: 3179600 CPU: 9575.55, 0.00297803/step Wall: 9575.55, 0.00297803/step, 1.50589 hours remaining, 210.601562 MB of memory in use. ENERGY: 3179600 744.0245 2075.7408 1915.4574 98.5167 -206532.6213 17872.7111 0.0000 0.0000 34107.7469 -149718.4240 297.8714 -183826.1708 -149618.0183 297.7835 30.9885 62.5109 557803.3697 0.3086 0.3611 PRESSURE: 3179800 -88.8578 -6.11741 -198.912 -6.11634 -46.9101 -2.09382 -198.911 -2.0949 166.334 GPRESSURE: 3179800 -34.0205 -36.4873 -142.513 -14.399 -42.2904 44.2666 -147.924 -58.3079 202.844 PRESSAVG: 3179800 -112.502 12.4044 -26.4624 12.4044 -14.7032 -25.4564 -26.4624 -25.4564 58.6122 GPRESSAVG: 3179800 -112.659 14.7885 -26.1928 10.9604 -13.6215 -27.2406 -26.2398 -22.5853 57.7714 TIMING: 3179800 CPU: 9576.15, 0.00299756/step Wall: 9576.15, 0.00299756/step, 1.5156 hours remaining, 210.601562 MB of memory in use. ENERGY: 3179800 736.4725 2049.0097 1937.8678 117.7496 -206481.7990 17812.8858 0.0000 0.0000 34031.3703 -149796.4435 297.2044 -183827.8138 -149698.1064 296.9433 10.1887 42.1777 556609.9067 -22.8643 -22.8362 PRESSURE: 3180000 -57.7526 149.299 19.1817 149.299 -254.09 113.571 19.1795 113.572 -105.457 GPRESSURE: 3180000 -44.4175 164.564 -4.59768 107.034 -224.506 18.5687 -9.15503 92.6735 -51.7242 PRESSAVG: 3180000 36.1548 53.937 -5.93854 53.937 16.2061 22.9033 -5.93848 22.9034 5.11864 GPRESSAVG: 3180000 35.8395 53.5754 -4.8487 52.2392 16.8775 22.1817 -6.68199 23.191 4.52478 TIMING: 3180000 CPU: 9576.74, 0.0029468/step Wall: 9576.74, 0.0029468/step, 1.48977 hours remaining, 210.601562 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: 3180000 739.1856 2068.7630 1949.3666 98.1834 -206164.1136 17600.1343 0.0000 0.0000 34045.3065 -149663.1743 297.3261 -183708.4808 -149559.5329 297.5555 -139.1000 -106.8826 557604.1056 19.1598 19.0806 PRESSURE: 3180200 -112.412 66.8588 -107.099 66.8584 129.607 326.556 -107.098 326.557 64.1584 GPRESSURE: 3180200 -57.6257 -44.8344 -150.723 192.56 158.179 284.789 -80.0737 360.798 75.3181 PRESSAVG: 3180200 10.4619 37.3291 8.1427 37.3291 17.5705 57.7907 8.14263 57.7908 23.5749 GPRESSAVG: 3180200 10.9313 36.2581 7.36499 37.6788 16.2741 61.0174 9.24068 56.2189 24.3262 TIMING: 3180200 CPU: 9577.33, 0.00295995/step Wall: 9577.33, 0.00295995/step, 1.49626 hours remaining, 210.601562 MB of memory in use. ENERGY: 3180200 781.7437 2024.8640 1953.9579 103.2038 -206376.6467 17886.0938 0.0000 0.0000 34102.9768 -149523.8067 297.8298 -183626.7835 -149428.3010 298.3304 27.1180 58.6237 556185.5004 17.2024 17.1772 LDB: ============= START OF LOAD BALANCING ============== 9580.84 LDB: ============== END OF LOAD BALANCING =============== 9580.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9580.85 LDB: ============= START OF LOAD BALANCING ============== 9581.14 LDB: Largest compute 4802 load 0.029167 is 24.7% of average load 0.118167 LDB: Average compute 0.001731 is 1.5% of average load 0.118167 LDB: TIME 9581.15 LOAD: AVG 0.118167 MAX 0.2085 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.105 MB LDB: TIME 9581.15 LOAD: AVG 0.118167 MAX 0.2085 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.105 MB LDB: TIME 9581.15 LOAD: AVG 0.118167 MAX 0.2085 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.105 MB LDB: ============== END OF LOAD BALANCING =============== 9581.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9581.15 PRESSURE: 3180400 -87.817 -103.551 105.207 -103.551 -94.2125 31.3875 105.208 31.3874 -36.7144 GPRESSURE: 3180400 -27.8744 -86.9326 23.5276 -153.629 -98.4103 145.102 178.601 -71.5282 2.72812 PRESSAVG: 3180400 -39.3561 41.0058 15.7462 41.0057 -64.7772 -1.35818 15.7461 -1.35823 46.9653 GPRESSAVG: 3180400 -39.4086 40.7117 14.8657 43.4223 -64.685 -3.46616 16.8423 -1.48797 46.6268 TIMING: 3180400 CPU: 9577.94, 0.0030378/step Wall: 9577.94, 0.0030378/step, 1.53544 hours remaining, 209.851562 MB of memory in use. ENERGY: 3180400 760.8332 2087.1801 1965.6750 122.4997 -206192.5990 17705.0088 0.0000 0.0000 34146.5718 -149404.8304 298.2105 -183551.4022 -149310.7412 298.5309 -72.9146 -41.1855 555779.9500 -19.0560 -19.1556 PRESSURE: 3180600 143.922 5.58769 37.9603 5.58631 -90.6908 64.3163 37.9611 64.3167 85.3046 GPRESSURE: 3180600 183.06 12.0417 -21.387 29.3785 -46.9824 61.7468 62.9084 34.2178 95.8982 PRESSAVG: 3180600 -31.9822 -15.494 -20.608 -15.494 -2.85178 30.3907 -20.6081 30.3907 27.6341 GPRESSAVG: 3180600 -33.3212 -16.4272 -20.2817 -16.5747 -1.67057 32.1118 -22.1351 28.1436 27.5413 TIMING: 3180600 CPU: 9578.54, 0.00301918/step Wall: 9578.54, 0.00301918/step, 1.52586 hours remaining, 210.257812 MB of memory in use. ENERGY: 3180600 788.3758 2098.0269 1959.7551 110.9270 -206582.5838 17986.3680 0.0000 0.0000 34203.7283 -149435.4028 298.7097 -183639.1311 -149342.5799 298.6186 46.1786 77.3251 556922.8457 -2.4000 -2.4835 PRESSURE: 3180800 15.7623 204.977 -62.7657 204.978 64.4134 122.088 -62.766 122.088 203.217 GPRESSURE: 3180800 9.03227 193.907 -71.1781 89.4197 144.766 111.355 -38.9739 87.7107 247.233 PRESSAVG: 3180800 -21.0634 47.816 -0.168321 47.816 35.4168 -1.35445 -0.168274 -1.35443 -3.42116 GPRESSAVG: 3180800 -20.7095 48.8063 -0.000840061 45.0648 36.8214 -3.70569 -0.981413 -0.0871465 -4.86533 TIMING: 3180800 CPU: 9579.14, 0.00298227/step Wall: 9579.14, 0.00298227/step, 1.50704 hours remaining, 210.257812 MB of memory in use. ENERGY: 3180800 756.2835 2028.3207 1906.8345 109.0565 -206428.1633 17900.9988 0.0000 0.0000 34467.2298 -149259.4395 301.0109 -183726.6692 -149161.7842 298.7367 94.4644 133.6772 556036.1562 3.6441 3.7489 PRESSURE: 3181000 294.097 14.5542 -61.7869 14.5545 153.851 78.5034 -61.7865 78.5037 17.4646 GPRESSURE: 3181000 269.662 -51.6391 -159.713 27.9969 248.843 14.4442 -125.874 83.658 41.8876 PRESSAVG: 3181000 -8.46399 -13.0119 1.93094 -13.0118 0.212336 -16.2877 1.93101 -16.2878 37.5998 GPRESSAVG: 3181000 -7.42641 -13.2917 1.51422 -10.7293 -1.33378 -17.1932 2.75641 -14.3688 38.2205 TIMING: 3181000 CPU: 9579.73, 0.00295529/step Wall: 9579.73, 0.00295529/step, 1.49324 hours remaining, 210.460938 MB of memory in use. ENERGY: 3181000 746.3927 2064.9331 1943.4767 112.0803 -206396.9299 18106.4266 0.0000 0.0000 34243.9276 -149179.6930 299.0607 -183423.6205 -149082.0714 299.6021 155.1376 186.7975 556556.8987 9.7827 9.8201 PRESSURE: 3181200 -30.294 -168.081 90.6339 -168.081 -23.3636 34.1541 90.6346 34.1547 121.74 GPRESSURE: 3181200 -80.5541 -210.669 70.0176 -105.365 74.7448 74.9401 107.613 40.434 170.068 PRESSAVG: 3181200 -15.361 -3.54697 -13.2878 -3.54692 23.1409 -30.8968 -13.2877 -30.8968 10.5754 GPRESSAVG: 3181200 -16.0106 -2.49911 -12.0871 -4.46123 23.1657 -29.0073 -13.3268 -33.6408 10.866 TIMING: 3181200 CPU: 9580.32, 0.00298225/step Wall: 9580.32, 0.00298225/step, 1.5067 hours remaining, 210.460938 MB of memory in use. ENERGY: 3181200 745.2993 2072.4143 1921.6172 118.6610 -206045.6945 17908.9378 0.0000 0.0000 34280.5121 -148998.2528 299.3802 -183278.7649 -148902.3607 300.1666 22.6942 54.7529 557843.7631 6.1184 6.0070 PRESSURE: 3181400 -197.673 44.313 116.35 44.3127 59.4877 3.88102 116.35 3.88246 -265.416 GPRESSURE: 3181400 -196.334 30.7321 135.774 -23.7087 48.4531 -4.40752 195.531 -8.61084 -180.131 PRESSAVG: 3181400 -47.4691 -14.4464 22.6602 -14.4464 28.404 -31.9998 22.66 -31.9998 -3.94307 GPRESSAVG: 3181400 -47.9115 -14.4912 21.127 -13.0495 28.1519 -32.363 22.83 -30.5198 -3.36984 TIMING: 3181400 CPU: 9580.92, 0.00298084/step Wall: 9580.92, 0.00298084/step, 1.50582 hours remaining, 210.460938 MB of memory in use. ENERGY: 3181400 756.8617 2091.1383 1960.2570 104.7511 -205642.1594 17506.7084 0.0000 0.0000 34304.2943 -148918.1486 299.5879 -183222.4429 -148819.3580 300.3243 -134.5338 -109.3374 557501.8192 -7.6694 -7.7098 PRESSURE: 3181600 -43.5785 27.6365 -49.2723 27.6364 -195.755 -70.173 -49.2723 -70.1719 -89.6605 GPRESSURE: 3181600 -3.1487 123.746 -47.8663 -8.44827 -199.449 -163.787 16.6505 -65.8561 -39.9695 PRESSAVG: 3181600 38.0657 -5.49173 -15.9807 -5.49174 -57.2915 72.0274 -15.9807 72.0274 13.4371 GPRESSAVG: 3181600 39.3371 -4.13843 -14.8149 -5.77327 -57.0229 70.6183 -14.8304 72.09 11.7297 TIMING: 3181600 CPU: 9581.52, 0.00299746/step Wall: 9581.52, 0.00299746/step, 1.51405 hours remaining, 210.460938 MB of memory in use. ENERGY: 3181600 742.1127 2094.1879 1928.2729 114.7504 -205806.9909 17694.4293 0.0000 0.0000 34379.5636 -148853.6741 300.2453 -183233.2377 -148751.2152 300.9126 -109.6647 -80.8557 559292.5993 -1.9296 -1.9854 PRESSURE: 3181800 -59.4189 -21.3737 -16.2714 -21.3733 81.008 121.696 -16.2728 121.695 -254.689 GPRESSURE: 3181800 12.2608 -61.2619 -25.1071 13.9284 88.0828 129.653 -23.9788 127.071 -229.655 PRESSAVG: 3181800 -5.59628 31.6577 43.7433 31.6578 11.7272 17.2809 43.7432 17.2809 -37.6305 GPRESSAVG: 3181800 -6.87282 29.2282 42.4387 33.2563 11.6189 17.1919 44.4705 16.5875 -35.7427 TIMING: 3181800 CPU: 9582.11, 0.00296658/step Wall: 9582.11, 0.00296658/step, 1.49829 hours remaining, 210.460938 MB of memory in use. ENERGY: 3181800 757.0219 2110.7755 1929.1597 110.1169 -205453.2162 17519.8735 0.0000 0.0000 34151.8247 -148874.4439 298.2564 -183026.2686 -148779.5431 300.5795 -77.6999 -43.1038 558171.8640 -10.4999 -10.3322 PRESSURE: 3182000 -16.1304 -59.54 83.675 -59.5391 148.192 13.724 83.6752 13.7249 -212.267 GPRESSURE: 3182000 47.26 -60.5589 115.177 -33.3409 192.271 106.522 61.7687 0.521173 -218.31 PRESSAVG: 3182000 8.46853 -26.3616 1.23267 -26.3616 1.61539 69.6163 1.23268 69.6163 6.07086 GPRESSAVG: 3182000 9.22166 -25.2276 3.88996 -26.3955 1.73081 69.6208 0.145902 70.1354 4.48156 TIMING: 3182000 CPU: 9582.71, 0.00297279/step Wall: 9582.71, 0.00297279/step, 1.50126 hours remaining, 210.460938 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: 3182000 769.6549 2140.2834 1912.4592 137.7633 -205984.4807 17791.1471 0.0000 0.0000 34272.8294 -148960.3434 299.3131 -183233.1728 -148864.3888 300.4651 -26.7350 7.0735 558177.0785 5.3849 5.1447 PRESSURE: 3182200 273.457 104.279 90.5544 104.278 -6.67214 176.768 90.5538 176.769 133.618 GPRESSURE: 3182200 328.223 38.1145 24.5198 107.546 -6.29942 215.632 75.339 173.099 174.298 PRESSAVG: 3182200 3.92153 -39.6647 2.62757 -39.6646 30.8546 70.3438 2.62752 70.3436 -2.4364 GPRESSAVG: 3182200 3.17931 -42.0919 2.09425 -39.8819 30.1812 70.1785 1.33002 72.6386 -1.18195 TIMING: 3182200 CPU: 9583.31, 0.00300146/step Wall: 9583.31, 0.00300146/step, 1.51557 hours remaining, 210.460938 MB of memory in use. ENERGY: 3182200 729.0198 2082.6190 1928.5220 107.8646 -206039.3373 17848.8232 0.0000 0.0000 34252.6766 -149089.8121 299.1371 -183342.4887 -148999.9065 299.4830 133.4677 165.4074 557185.3887 10.7799 10.7262 PRESSURE: 3182400 89.8435 185.385 65.3709 185.385 7.32824 38.5588 65.3719 38.561 37.824 GPRESSURE: 3182400 228.587 215.421 95.2317 167.12 -6.85033 12.7375 45.1206 51.3342 2.5249 PRESSAVG: 3182400 -9.48711 71.1661 45.8338 71.1661 -1.23899 60.0813 45.8337 60.0812 7.04535 GPRESSAVG: 3182400 -9.43442 73.7039 43.2237 71.2 -0.993447 61.3932 48.1457 59.6364 6.76702 TIMING: 3182400 CPU: 9583.91, 0.00298487/step Wall: 9583.91, 0.00298487/step, 1.50703 hours remaining, 210.460938 MB of memory in use. ENERGY: 3182400 770.8420 2080.0922 1940.2734 100.2161 -206295.7281 17987.7357 0.0000 0.0000 34295.1622 -149121.4066 299.5082 -183416.5688 -149025.7896 299.6659 44.9986 74.7538 556756.5009 -1.2269 -1.2203 PRESSURE: 3182600 -18.0583 -199.633 -32.0504 -199.633 -12.4436 -41.9814 -32.0512 -41.9826 87.9921 GPRESSURE: 3182600 -19.7257 -207.386 6.00389 -153.635 15.2565 -72.6124 -99.8472 -41.9539 157.341 PRESSAVG: 3182600 83.2961 -54.2188 46.8175 -54.2188 -85.873 -24.0662 46.8174 -24.0662 -22.7923 GPRESSAVG: 3182600 83.2104 -55.2276 48.1224 -55.2134 -86.1353 -25.6198 46.4286 -24.5923 -22.9545 TIMING: 3182600 CPU: 9584.51, 0.00300115/step Wall: 9584.51, 0.00300115/step, 1.51508 hours remaining, 210.460938 MB of memory in use. ENERGY: 3182600 747.8232 2139.3965 1925.6137 101.2994 -206080.0193 17767.6395 0.0000 0.0000 34193.7023 -149204.5447 298.6221 -183398.2470 -149106.3978 299.1058 19.1634 50.9573 557634.6061 -8.4564 -8.6265 PRESSURE: 3182800 -144.459 -151.365 -23.0926 -151.365 96.643 30.5115 -23.0925 30.5113 183.829 GPRESSURE: 3182800 -107.507 -160.666 -43.9761 -236.387 141.815 48.3628 -24.198 22.7071 190.473 PRESSAVG: 3182800 7.37276 -31.3823 39.0453 -31.3823 -6.51334 -0.190918 39.0453 -0.19093 44.5661 GPRESSAVG: 3182800 7.72996 -30.0292 39.183 -32.5309 -6.2629 0.804219 39.0105 -2.12183 43.7148 TIMING: 3182800 CPU: 9585.1, 0.00296694/step Wall: 9585.1, 0.00296694/step, 1.49764 hours remaining, 210.460938 MB of memory in use. ENERGY: 3182800 772.1372 2040.9349 1944.8062 119.9110 -206554.0429 18048.6122 0.0000 0.0000 34400.0581 -149227.5832 300.4243 -183627.6413 -149130.1200 299.0450 45.3377 74.9271 558769.8786 15.1418 15.0606 PRESSURE: 3183000 146.236 81.4041 -309.559 81.4044 54.4419 -22.5558 -309.559 -22.5566 78.8732 GPRESSURE: 3183000 215.582 136.922 -240.647 12.2995 32.3409 -57.9861 -333.222 94.0908 137.92 PRESSAVG: 3183000 -23.1776 2.92588 -35.2569 2.92586 -54.2735 -9.64789 -35.257 -9.64797 96.808 GPRESSAVG: 3183000 -24.812 0.19463 -35.1352 5.22466 -53.1002 -7.60241 -36.9214 -8.68274 97.0685 TIMING: 3183000 CPU: 9585.69, 0.00297094/step Wall: 9585.69, 0.00297094/step, 1.4995 hours remaining, 210.460938 MB of memory in use. ENERGY: 3183000 721.2353 2085.6313 1942.9082 114.4092 -206805.1855 18004.2937 0.0000 0.0000 34520.3686 -149416.3392 301.4750 -183936.7078 -149307.7315 299.1833 93.1837 128.6143 557150.7015 6.4523 6.3854 PRESSURE: 3183200 314.226 14.9707 69.2756 14.9702 118.19 71.6074 69.2757 71.6093 0.427786 GPRESSURE: 3183200 313.761 -10.372 104.183 86.7084 179.119 0.111676 74.0009 82.3512 35.7126 PRESSAVG: 3183200 45.6404 -9.72518 -24.948 -9.72514 -94.8669 -41.6373 -24.9478 -41.6372 18.7517 GPRESSAVG: 3183200 46.5318 -9.97725 -25.0873 -10.3159 -96.8931 -44.011 -24.9451 -41.8412 20.0808 TIMING: 3183200 CPU: 9586.29, 0.00300711/step Wall: 9586.29, 0.00300711/step, 1.51759 hours remaining, 210.460938 MB of memory in use. ENERGY: 3183200 736.2964 2129.2414 1937.4333 102.8973 -206475.1458 18012.8588 0.0000 0.0000 34155.0745 -149401.3439 298.2848 -183556.4184 -149297.7679 298.9202 144.2813 176.1976 555715.0354 -10.1583 -10.0935 PRESSURE: 3183400 -16.6952 49.1619 -65.522 49.1614 13.9015 158.349 -65.5218 158.349 144.267 GPRESSURE: 3183400 37.4514 93.911 -149.043 -13.8414 76.7408 90.859 -17.8811 208.883 122.226 PRESSAVG: 3183400 54.7679 13.7797 -3.80377 13.7797 -82.6417 -17.4234 -3.80378 -17.4235 30.1482 GPRESSAVG: 3183400 53.6012 16.5533 -4.20667 12.8011 -80.9348 -14.7803 -3.02782 -18.0729 28.8967 TIMING: 3183400 CPU: 9586.89, 0.00299791/step Wall: 9586.89, 0.00299791/step, 1.51278 hours remaining, 210.460938 MB of memory in use. ENERGY: 3183400 730.6042 2097.3017 1948.9977 109.9911 -206407.7006 18019.4523 0.0000 0.0000 34237.6417 -149263.7118 299.0058 -183501.3535 -149157.6098 298.6579 47.1577 78.8060 555636.5385 0.7581 0.5210 PRESSURE: 3183600 -93.0945 3.00795 -89.195 3.00776 -246.572 185.288 -89.1947 185.287 92.7626 GPRESSURE: 3183600 -77.5351 -135.257 -109.106 85.3742 -215.877 225.8 -100.478 164.682 142.22 PRESSAVG: 3183600 -22.2976 30.0276 -7.34835 30.0276 -27.8715 3.29052 -7.34837 3.29046 64.0163 GPRESSAVG: 3183600 -21.9506 28.3962 -7.6061 31.9322 -28.0809 0.824481 -7.39008 5.03281 64.262 TIMING: 3183600 CPU: 9587.49, 0.00296596/step Wall: 9587.49, 0.00296596/step, 1.49649 hours remaining, 210.460938 MB of memory in use. ENERGY: 3183600 737.6087 2083.1513 1922.7428 103.8686 -206301.8003 17757.4263 0.0000 0.0000 34355.0602 -149341.9425 300.0313 -183697.0027 -149241.1010 299.4342 -82.3013 -50.3974 556022.8234 4.6157 4.7435 PRESSURE: 3183800 67.0364 -2.11891 102.679 -2.11797 196.785 -57.143 102.679 -57.1429 157.703 GPRESSURE: 3183800 140.977 -7.70627 133.958 -30.9259 216.645 -44.5748 83.4878 -166.829 165.393 PRESSAVG: 3183800 -95.1375 76.2881 44.0702 76.2882 33.4595 -44.7156 44.0702 -44.7157 62.8208 GPRESSAVG: 3183800 -94.2012 76.5981 44.8809 75.6548 32.2299 -44.8382 42.4915 -44.4533 62.6404 TIMING: 3183800 CPU: 9588.08, 0.00297789/step Wall: 9588.08, 0.00297789/step, 1.50235 hours remaining, 210.460938 MB of memory in use. ENERGY: 3183800 758.8060 2086.7102 1934.8762 124.2163 -206532.5920 17997.3477 0.0000 0.0000 34256.5986 -149374.0370 299.1714 -183630.6356 -149279.8227 299.1570 140.5080 174.3386 555122.1261 0.3809 0.2230 PRESSURE: 3184000 70.7795 -64.8483 58.9903 -64.8482 296.375 78.7754 58.9885 78.7754 204.451 GPRESSURE: 3184000 69.0968 -104.706 104.455 15.891 315.2 107.406 55.4371 23.6413 265.456 PRESSAVG: 3184000 -38.8498 -16.3717 14.2513 -16.3716 -3.19095 51.2771 14.2513 51.277 96.8623 GPRESSAVG: 3184000 -39.4439 -15.636 11.9761 -18.4491 -2.3906 53.0784 16.146 49.8827 96.6287 TIMING: 3184000 CPU: 9588.68, 0.00297092/step Wall: 9588.68, 0.00297092/step, 1.49866 hours remaining, 210.460938 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: 3184000 746.0725 2065.6534 1974.1999 126.4487 -206600.9317 18116.0255 0.0000 0.0000 34102.3951 -149470.1367 297.8247 -183572.5318 -149379.1319 299.3732 190.5349 216.5840 555339.0563 18.2738 18.2647 PRESSURE: 3184200 -154.157 30.5298 143.603 30.5299 -164.544 -44.5426 143.603 -44.543 -169.58 GPRESSURE: 3184200 -80.318 8.47841 157.252 97.2112 -132.692 -16.4637 148.578 -25.7257 -184.053 PRESSAVG: 3184200 -70.0663 56.89 4.51472 56.89 13.9203 -7.80826 4.5147 -7.80822 15.6159 GPRESSAVG: 3184200 -69.973 55.2723 7.23912 59.1994 13.9816 -6.88653 5.31652 -7.70954 15.3947 TIMING: 3184200 CPU: 9589.28, 0.00300234/step Wall: 9589.28, 0.00300234/step, 1.51435 hours remaining, 210.460938 MB of memory in use. ENERGY: 3184200 761.5644 2074.2359 1963.4999 102.9018 -206230.2699 17743.0076 0.0000 0.0000 34127.9753 -149457.0850 298.0481 -183585.0603 -149357.3249 298.3635 -162.7606 -132.3544 556344.7667 -13.5100 -13.5322 LDB: ============= START OF LOAD BALANCING ============== 9592.8 LDB: ============== END OF LOAD BALANCING =============== 9592.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9592.8 LDB: ============= START OF LOAD BALANCING ============== 9593.1 LDB: Largest compute 4802 load 0.029842 is 25.2% of average load 0.118210 LDB: Average compute 0.001727 is 1.5% of average load 0.118210 LDB: TIME 9593.1 LOAD: AVG 0.11821 MAX 0.207547 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.27 MB LDB: TIME 9593.1 LOAD: AVG 0.11821 MAX 0.207547 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.52 MB LDB: TIME 9593.1 LOAD: AVG 0.11821 MAX 0.207547 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.52 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9593.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9593.1 PRESSURE: 3184400 135.965 -2.82359 -37.2555 -2.82234 -34.9909 -146.877 -37.2571 -146.878 58.4151 GPRESSURE: 3184400 173.518 -29.5842 -111.135 54.195 28.1089 -91.1022 13.6249 -216.987 56.4344 PRESSAVG: 3184400 25.87 19.2812 -10.4485 19.2811 -37.7667 -7.50627 -10.4485 -7.50644 30.2448 GPRESSAVG: 3184400 25.4439 19.3882 -12.855 19.1048 -37.7036 -10.6472 -11.9861 -6.55248 30.7587 TIMING: 3184400 CPU: 9589.89, 0.00305168/step Wall: 9589.89, 0.00305168/step, 1.53906 hours remaining, 209.507812 MB of memory in use. ENERGY: 3184400 782.6200 2109.4047 1931.4924 105.8085 -206518.9220 17961.5575 0.0000 0.0000 34202.2282 -149425.8106 298.6966 -183628.0388 -149324.7522 299.2379 53.1297 86.0205 556237.5786 6.1160 6.1663 PRESSURE: 3184600 68.2335 -38.9474 161.593 -38.9468 -109.166 -49.4532 161.593 -49.4547 -323.82 GPRESSURE: 3184600 123.762 1.31672 131.293 -47.6372 -113.705 -32.5169 184.449 -5.38266 -265.219 PRESSAVG: 3184600 33.4287 0.719359 37.4384 0.719379 15.9709 -31.9171 37.4384 -31.9169 -7.14422 GPRESSAVG: 3184600 33.8543 3.76045 38.2824 -0.834409 15.8219 -30.8135 38.2778 -33.3834 -7.26927 TIMING: 3184600 CPU: 9590.49, 0.00300107/step Wall: 9590.49, 0.00300107/step, 1.51337 hours remaining, 209.765625 MB of memory in use. ENERGY: 3184600 731.7753 2098.9424 1943.9115 105.3635 -206060.3124 17614.2821 0.0000 0.0000 34284.0059 -149282.0317 299.4108 -183566.0376 -149178.6640 299.7722 -121.5840 -85.0540 556277.3948 14.0851 14.1357 PRESSURE: 3184800 -395.449 41.952 51.3486 41.9516 -165.342 122.324 51.3481 122.324 -249.169 GPRESSURE: 3184800 -367.332 36.146 35.328 -0.219426 -113.679 65.0877 91.7456 171.771 -246.953 PRESSAVG: 3184800 -4.22294 42.1973 24.9947 42.1974 -11.8926 -24.4343 24.9947 -24.4343 -25.6351 GPRESSAVG: 3184800 -3.67097 40.8736 24.878 42.6276 -11.0184 -24.5679 24.0738 -25.0554 -26.6942 TIMING: 3184800 CPU: 9591.09, 0.00301808/step Wall: 9591.09, 0.00301808/step, 1.52178 hours remaining, 209.765625 MB of memory in use. ENERGY: 3184800 738.0394 2134.3259 1946.8556 108.8594 -206212.1830 17716.4107 0.0000 0.0000 34253.4813 -149314.2108 299.1442 -183567.6920 -149218.8914 299.4531 -269.9867 -242.6546 558842.5282 -13.9169 -13.7945 PRESSURE: 3185000 -69.1073 -161.174 -122.027 -161.174 13.3638 43.9022 -122.028 43.9036 33.0824 GPRESSURE: 3185000 -43.9211 -54.9884 -82.1363 -192.569 13.5485 66.702 -172.637 24.2095 104.884 PRESSAVG: 3185000 -19.63 -12.6711 -13.3825 -12.6711 1.78507 1.79947 -13.3825 1.7995 -15.0977 GPRESSAVG: 3185000 -19.9489 -12.5651 -13.9072 -12.5817 0.431196 2.76532 -11.6128 3.68112 -13.6993 TIMING: 3185000 CPU: 9591.69, 0.00298901/step Wall: 9591.69, 0.00298901/step, 1.50696 hours remaining, 209.765625 MB of memory in use. ENERGY: 3185000 757.3968 2065.6554 1919.5966 122.1455 -205939.8926 17684.2362 0.0000 0.0000 34174.3185 -149216.5435 298.4528 -183390.8620 -149124.6007 298.7125 -7.5537 24.8372 557647.5729 -10.9809 -11.0724 PRESSURE: 3185200 25.9254 135.354 46.457 135.353 -64.3793 -12.0322 46.4576 -12.0328 201.923 GPRESSURE: 3185200 88.2062 183.614 93.0789 119.588 -18.4453 -25.1541 -48.1769 -40.2666 191.377 PRESSAVG: 3185200 -65.1757 -4.19556 -20.1474 -4.19561 -22.9608 25.6306 -20.1474 25.6306 30.5741 GPRESSAVG: 3185200 -65.1399 -3.16872 -20.7792 -5.43364 -23.2758 24.5966 -18.4271 22.7313 30.8596 TIMING: 3185200 CPU: 9592.29, 0.00297908/step Wall: 9592.29, 0.00297908/step, 1.50179 hours remaining, 209.765625 MB of memory in use. ENERGY: 3185200 688.7875 2049.1009 1925.6094 126.4577 -205957.4143 17817.1606 0.0000 0.0000 34236.3982 -149113.9001 298.9950 -183350.2982 -149018.8174 298.4002 54.4898 87.0460 558710.3287 -19.1874 -19.1854 PRESSURE: 3185400 -147.772 -43.8483 -128.258 -43.8493 -195.811 54.7752 -128.257 54.7769 -146.801 GPRESSURE: 3185400 -50.6512 -149.084 -146.531 -76.8184 -237.961 18.2692 -61.7788 32.2365 -108.417 PRESSAVG: 3185400 1.30321 -14.4356 -26.177 -14.4356 -27.7128 -4.30433 -26.1769 -4.30432 42.0688 GPRESSAVG: 3185400 1.70435 -16.1869 -24.554 -10.2732 -28.191 -4.08093 -28.7194 -3.96701 41.7883 TIMING: 3185400 CPU: 9592.88, 0.00298723/step Wall: 9592.88, 0.00298723/step, 1.50573 hours remaining, 209.765625 MB of memory in use. ENERGY: 3185400 747.2291 2117.0228 1935.9893 112.5285 -205888.9736 17621.4041 0.0000 0.0000 34148.3112 -149206.4885 298.2257 -183354.7998 -149114.8301 299.8259 -163.4611 -132.3429 557613.6703 5.2197 5.1005 PRESSURE: 3185600 177.742 4.40918 -30.8062 4.40885 -163.668 50.9452 -30.8063 50.9435 -23.5089 GPRESSURE: 3185600 174.031 -38.0213 -34.2375 -3.20518 -150.084 65.2059 -112.393 19.0747 52.6923 PRESSAVG: 3185600 37.1665 -6.57564 -43.3487 -6.57565 -64.1364 23.5722 -43.3486 23.5723 18.2698 GPRESSAVG: 3185600 35.9065 -6.94694 -41.7269 -8.11366 -62.1756 22.8043 -44.5061 24.8757 18.035 TIMING: 3185600 CPU: 9593.48, 0.00300496/step Wall: 9593.48, 0.00300496/step, 1.5145 hours remaining, 209.765625 MB of memory in use. ENERGY: 3185600 741.7123 2142.7764 1936.3536 107.5188 -206585.4190 17866.7829 0.0000 0.0000 34429.1501 -149361.1249 300.6783 -183790.2751 -149266.6724 298.9105 -3.1448 25.5465 556781.6655 -2.9000 -2.7447 PRESSURE: 3185800 -348.525 138.068 -132.611 138.068 -233.078 117.628 -132.611 117.628 209.522 GPRESSURE: 3185800 -258.436 109.898 -122.68 175.475 -247.625 82.1336 -100.357 129.061 240.752 PRESSAVG: 3185800 -67.531 0.934085 8.35612 0.934171 -1.67733 -3.549 8.35622 -3.54885 30.1999 GPRESSAVG: 3185800 -66.4149 3.23165 8.04233 0.43054 -4.04486 -2.25309 10.7322 -3.50742 31.768 TIMING: 3185800 CPU: 9594.09, 0.00301557/step Wall: 9594.09, 0.00301557/step, 1.51968 hours remaining, 209.765625 MB of memory in use. ENERGY: 3185800 775.1819 2111.4412 1934.5069 113.9110 -206019.4372 17575.9252 0.0000 0.0000 34380.0899 -149128.3811 300.2499 -183508.4710 -149032.3548 298.9339 -124.0272 -88.4361 557332.6989 -13.0028 -12.8973 PRESSURE: 3186000 -15.2658 -41.9916 -167.257 -41.9903 78.3718 -114.703 -167.257 -114.703 320.89 GPRESSURE: 3186000 -7.02562 -77.7998 -164.211 15.6711 155.571 -51.2333 -141.527 -53.0025 318.902 PRESSAVG: 3186000 -67.032 -7.5145 44.4403 -7.51444 -50.9333 -1.2977 44.4403 -1.29763 125.676 GPRESSAVG: 3186000 -66.9433 -8.44442 42.0158 -7.64671 -49.7229 -0.996245 42.966 -2.30537 123.934 TIMING: 3186000 CPU: 9594.68, 0.0029855/step Wall: 9594.68, 0.0029855/step, 1.50436 hours remaining, 209.765625 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: 3186000 725.4631 2114.4832 1949.8494 116.0490 -206509.9704 17989.0337 0.0000 0.0000 34311.0512 -149304.0407 299.6469 -183615.0919 -149203.6275 299.8173 127.9986 155.8156 556264.7783 2.5703 2.4225 PRESSURE: 3186200 -50.7477 17.1417 -87.0033 17.141 191.399 75.1221 -87.0035 75.1221 4.81695 GPRESSURE: 3186200 29.345 -53.1523 -113.997 59.2245 245.143 60.5 -61.0957 109.059 -23.254 PRESSAVG: 3186200 17.8738 54.1311 9.57736 54.1311 51.9687 -7.03303 9.57729 -7.03301 25.8284 GPRESSAVG: 3186200 17.9341 52.4146 10.7059 54.4767 51.798 -7.91347 11.475 -6.30903 26.3157 TIMING: 3186200 CPU: 9595.28, 0.00297047/step Wall: 9595.28, 0.00297047/step, 1.49662 hours remaining, 209.765625 MB of memory in use. ENERGY: 3186200 772.5593 2129.0297 1946.2616 119.5778 -206347.2014 17855.0826 0.0000 0.0000 34198.6583 -149326.0322 298.6654 -183524.6904 -149233.4339 299.0749 48.4896 83.7445 555892.5520 31.8903 32.0159 PRESSURE: 3186400 -100.787 68.7318 82.196 68.7328 -144.595 -37.5405 82.1954 -37.541 -28.3143 GPRESSURE: 3186400 -52.8556 -5.39475 120.39 47.5779 -107.834 27.9825 68.1626 -76.1439 -9.91203 PRESSAVG: 3186400 -10.6101 23.2736 27.3782 23.2735 -11.35 -5.56376 27.378 -5.56377 -25.1458 GPRESSAVG: 3186400 -11.6018 23.3325 25.0356 23.2977 -11.1455 -5.00395 26.4026 -6.04341 -24.5046 TIMING: 3186400 CPU: 9595.87, 0.00298117/step Wall: 9595.87, 0.00298117/step, 1.50185 hours remaining, 209.765625 MB of memory in use. ENERGY: 3186400 740.1948 2114.3648 1951.9746 115.3766 -206371.4731 17832.2531 0.0000 0.0000 34263.9490 -149353.3602 299.2356 -183617.3092 -149257.8254 298.7859 -91.2320 -56.8673 557748.2798 -15.7019 -15.7506 PRESSURE: 3186600 -33.9953 34.4315 -123.487 34.4321 -124.937 59.132 -123.488 59.1323 48.051 GPRESSURE: 3186600 -56.0194 22.9605 -200.242 91.4442 -94.0942 52.7489 -11.5704 18.2547 141.428 PRESSAVG: 3186600 2.94694 -12.4018 -29.7607 -12.4018 71.1561 27.3412 -29.7608 27.3413 -43.0073 GPRESSAVG: 3186600 3.22455 -12.0113 -27.5678 -11.9201 70.3469 24.747 -30.6022 27.5112 -41.9659 TIMING: 3186600 CPU: 9596.47, 0.00298957/step Wall: 9596.47, 0.00298957/step, 1.50591 hours remaining, 209.765625 MB of memory in use. ENERGY: 3186600 777.7633 2123.2178 1908.2044 110.1813 -206428.0483 17847.0716 0.0000 0.0000 34255.6837 -149405.9262 299.1634 -183661.6099 -149314.1729 298.1832 -36.9603 -2.8953 558067.1552 10.3653 10.5352 PRESSURE: 3186800 -128.94 53.6229 -71.1619 53.6215 -84.751 -202.253 -71.1612 -202.251 -141.989 GPRESSURE: 3186800 -18.0725 4.67875 -57.8044 29.0941 -118.564 -109.767 -12.0395 -262.135 -148.221 PRESSAVG: 3186800 26.0241 -14.368 -16.8387 -14.3681 -63.3533 12.9012 -16.8387 12.9012 2.72899 GPRESSAVG: 3186800 26.823 -13.1798 -17.3358 -15.8476 -63.2422 14.5816 -16.7976 13.0797 1.87526 TIMING: 3186800 CPU: 9597.07, 0.0029966/step Wall: 9597.07, 0.0029966/step, 1.50929 hours remaining, 209.765625 MB of memory in use. ENERGY: 3186800 721.6482 2096.5755 1946.2685 119.0264 -206321.2792 17600.4277 0.0000 0.0000 34342.9761 -149494.3567 299.9258 -183837.3328 -149388.5484 298.6582 -118.5603 -94.9523 555456.4240 -11.5334 -11.5146 PRESSURE: 3187000 39.283 -33.5524 -11.4571 -33.5537 166.651 16.9271 -11.4579 16.9268 -203.331 GPRESSURE: 3187000 86.5044 -49.4399 -25.6358 -140.28 132.183 11.8605 31.7504 -31.22 -131.74 PRESSAVG: 3187000 19.7257 -19.5942 5.38894 -19.5941 0.880377 33.5162 5.3889 33.5163 -51.3124 GPRESSAVG: 3187000 18.2815 -19.0161 6.72286 -21.0171 1.55124 33.302 4.22452 33.53 -51.1189 TIMING: 3187000 CPU: 9597.67, 0.00301056/step Wall: 9597.67, 0.00301056/step, 1.51615 hours remaining, 210.027344 MB of memory in use. ENERGY: 3187000 727.5582 2136.1021 1965.2183 111.9438 -206199.3145 17797.1589 0.0000 0.0000 34320.6471 -149140.6861 299.7307 -183461.3332 -149043.5136 299.5312 0.8676 28.9825 556731.4106 -10.2354 -10.4287 PRESSURE: 3187200 53.3162 -119.546 -10.3302 -119.547 175.716 -154.993 -10.3299 -154.992 -68.7877 GPRESSURE: 3187200 137.44 -126.226 29.6775 -38.5806 232.562 -104.758 -61.952 -200.27 -121.982 PRESSAVG: 3187200 21.2945 18.4705 -3.67986 18.4704 -16.8317 2.14779 -3.6799 2.14793 -32.1768 GPRESSAVG: 3187200 22.2559 17.1609 -2.32165 20.2981 -16.6631 3.52199 -3.034 -0.025232 -33.6407 TIMING: 3187200 CPU: 9598.27, 0.00298423/step Wall: 9598.27, 0.00298423/step, 1.50273 hours remaining, 210.027344 MB of memory in use. ENERGY: 3187200 723.0056 2136.7907 1933.4021 106.2417 -206197.3353 17945.9816 0.0000 0.0000 34156.0921 -149195.8216 298.2936 -183351.9137 -149094.1102 299.5076 53.4147 82.6732 558185.4838 -9.2380 -9.3493 PRESSURE: 3187400 -86.7922 80.3872 86.589 80.3857 -57.1899 -121.273 86.5894 -121.273 266.989 GPRESSURE: 3187400 -79.0992 142.794 27.923 92.504 9.81033 -64.7344 155.876 -132.347 269.399 PRESSAVG: 3187400 -50.0128 14.7095 44.434 14.7095 -10.1481 0.996283 44.4339 0.996287 49.9165 GPRESSAVG: 3187400 -50.9895 15.9664 41.9768 16.0571 -10.7992 0.0426238 44.8865 1.80562 51.8223 TIMING: 3187400 CPU: 9598.87, 0.00299032/step Wall: 9598.87, 0.00299032/step, 1.50563 hours remaining, 210.027344 MB of memory in use. ENERGY: 3187400 733.5771 2130.4686 1933.1220 123.6312 -206069.0497 17692.0749 0.0000 0.0000 34419.4018 -149036.7742 300.5932 -183456.1760 -148940.2740 299.2136 41.0022 66.7034 557509.9001 -3.4148 -3.3222 PRESSURE: 3187600 -182.309 -36.2055 79.873 -36.2067 -73.5161 22.9618 79.8732 22.9622 -58.9871 GPRESSURE: 3187600 -129.516 -95.6235 121.404 28.6512 -22.7927 -27.8057 28.0933 -6.48272 -50.5823 PRESSAVG: 3187600 -29.4548 18.3997 47.2595 18.3998 32.9265 9.06849 47.2596 9.06848 51.7544 GPRESSAVG: 3187600 -28.5111 18.8838 46.6033 16.9116 32.8326 9.55419 47.8416 10.7314 51.1675 TIMING: 3187600 CPU: 9599.46, 0.00296349/step Wall: 9599.46, 0.00296349/step, 1.49195 hours remaining, 210.027344 MB of memory in use. ENERGY: 3187600 739.9587 2073.7381 1925.2544 109.2697 -205703.3654 17492.9200 0.0000 0.0000 34216.9646 -149145.2599 298.8253 -183362.2245 -149047.7256 299.7189 -104.9374 -67.6303 557329.3210 18.4087 18.4963 PRESSURE: 3187800 -293.287 141.889 5.01099 141.89 -30.4356 -255.065 5.01104 -255.065 -126.504 GPRESSURE: 3187800 -288.961 88.0175 -11.6225 58.4403 41.0867 -294.241 -28.1591 -271.332 -122.059 PRESSAVG: 3187800 -87.714 19.7031 -6.76095 19.7031 83.6618 -39.5243 -6.76095 -39.5244 0.0649463 GPRESSAVG: 3187800 -89.1643 16.4729 -5.43345 20.1865 85.1467 -39.0876 -9.26428 -41.0777 0.185631 TIMING: 3187800 CPU: 9600.06, 0.00298257/step Wall: 9600.06, 0.00298257/step, 1.50139 hours remaining, 210.027344 MB of memory in use. ENERGY: 3187800 727.5945 2110.3577 1925.8910 114.0254 -205936.0604 17511.3796 0.0000 0.0000 34271.6920 -149275.1202 299.3032 -183546.8122 -149173.8652 300.0335 -150.0755 -123.3109 556905.4595 -1.3291 -1.2773 PRESSURE: 3188000 55.7789 83.6977 -215.101 83.6976 74.4624 -72.0021 -215.102 -72.0025 285.968 GPRESSURE: 3188000 72.2646 31.3973 -141.219 137.313 168.256 -38.0363 -265.769 -100.564 263.47 PRESSAVG: 3188000 -43.2778 21.0327 75.271 21.0327 21.318 -73.665 75.2709 -73.665 75.9029 GPRESSAVG: 3188000 -42.9385 23.3411 74.7118 19.5518 21.1344 -71.7714 77.195 -74.1799 75.4437 TIMING: 3188000 CPU: 9600.65, 0.00297746/step Wall: 9600.65, 0.00297746/step, 1.49865 hours remaining, 210.027344 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: 3188000 701.5136 2054.4513 1947.3554 101.4484 -206192.0527 17960.1896 0.0000 0.0000 34447.7693 -148979.3251 300.8409 -183427.0944 -148875.4260 299.9190 138.7364 167.9970 555946.0828 17.9810 17.8798 PRESSURE: 3188200 -144.187 -119.459 -75.7328 -119.459 119.108 -65.2196 -75.7319 -65.22 135.086 GPRESSURE: 3188200 -93.928 -166.844 -56.4731 -66.8301 127.419 -50.0532 -110.605 -18.092 164.788 PRESSAVG: 3188200 -11.5539 -17.794 7.26155 -17.794 6.72071 -44.1474 7.26179 -44.1475 43.9033 GPRESSAVG: 3188200 -11.2303 -18.9317 8.25154 -16.5408 6.47732 -48.1626 7.80068 -41.045 43.2112 TIMING: 3188200 CPU: 9601.25, 0.00300715/step Wall: 9601.25, 0.00300715/step, 1.51343 hours remaining, 210.027344 MB of memory in use. ENERGY: 3188200 735.5889 2085.7689 1926.5772 102.5408 -205865.7746 17697.3420 0.0000 0.0000 34350.6378 -148967.3189 299.9927 -183317.9567 -148866.3609 299.7157 36.6691 66.0930 557508.7538 13.0234 12.8194 LDB: ============= START OF LOAD BALANCING ============== 9604.78 LDB: ============== END OF LOAD BALANCING =============== 9604.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9604.78 LDB: ============= START OF LOAD BALANCING ============== 9605.08 LDB: Largest compute 4802 load 0.030833 is 26.1% of average load 0.118187 LDB: Average compute 0.001733 is 1.5% of average load 0.118187 LDB: TIME 9605.08 LOAD: AVG 0.118187 MAX 0.209504 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.25 MB LDB: TIME 9605.08 LOAD: AVG 0.118187 MAX 0.209504 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.25 MB LDB: TIME 9605.08 LOAD: AVG 0.118187 MAX 0.209504 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.25 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9605.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9605.09 PRESSURE: 3188400 65.0061 -1.3393 -115.326 -1.33894 -129.686 71.7675 -115.327 71.7646 105.147 GPRESSURE: 3188400 49.4509 -28.3558 -195.797 25.2894 -28.8985 36.5 -109.752 7.7218 107.326 PRESSAVG: 3188400 -2.17682 -16.26 -33.0779 -16.26 -24.6614 -18.0194 -33.0779 -18.0194 32.5863 GPRESSAVG: 3188400 -2.52076 -17.6246 -34.4625 -15.5533 -24.2556 -15.1992 -32.2369 -21.5166 32.4923 TIMING: 3188400 CPU: 9601.87, 0.00307881/step Wall: 9601.87, 0.00307881/step, 1.54933 hours remaining, 210.031250 MB of memory in use. ENERGY: 3188400 731.5506 2103.3748 1943.9662 110.0418 -205955.0615 17680.0708 0.0000 0.0000 34361.2031 -149024.8542 300.0849 -183386.0573 -148924.2011 299.7701 13.4892 42.6261 557735.9831 1.9160 1.9053 PRESSURE: 3188600 -162.391 -33.2348 -232.672 -33.235 -68.6385 -58.143 -232.672 -58.1408 202.255 GPRESSURE: 3188600 -138.147 -77.3504 -152.098 -90.0228 28.997 -38.3253 -280.669 -33.5688 163.984 PRESSAVG: 3188600 -126.287 22.4007 13.2351 22.4007 -23.6946 -3.04725 13.2352 -3.04723 135.907 GPRESSAVG: 3188600 -124.916 23.6146 14.4649 22.5555 -24.8673 -3.16724 12.5177 -2.37466 135.012 TIMING: 3188600 CPU: 9602.48, 0.00302526/step Wall: 9602.48, 0.00302526/step, 1.52221 hours remaining, 210.031250 MB of memory in use. ENERGY: 3188600 729.6041 2033.2208 1931.1443 124.5181 -206267.5405 17888.8283 0.0000 0.0000 34337.7751 -149222.4497 299.8803 -183560.2249 -149123.9600 299.8221 -9.5915 18.2779 557713.1477 -4.6915 -4.9236 PRESSURE: 3188800 -90.5561 -125.095 -34.3301 -125.095 108.22 -48.4695 -34.3307 -48.4714 342.323 GPRESSURE: 3188800 -70.4021 -103.007 -9.89798 -43.7548 154.19 -8.73424 -41.0209 -10.0149 367.696 PRESSAVG: 3188800 -75.5249 -19.2161 -0.862704 -19.2162 34.1438 35.3838 -0.86271 35.3838 63.4838 GPRESSAVG: 3188800 -76.6467 -21.3375 -1.32003 -18.7752 34.5607 34.1428 0.00492026 36.25 64.0998 TIMING: 3188800 CPU: 9603.08, 0.00303101/step Wall: 9603.08, 0.00303101/step, 1.52494 hours remaining, 210.031250 MB of memory in use. ENERGY: 3188800 733.8088 2133.8562 1937.8337 109.1693 -206542.7468 18101.4020 0.0000 0.0000 34281.3801 -149245.2967 299.3878 -183526.6768 -149149.2700 299.4496 119.9956 150.4948 557497.9038 7.3676 7.3379 PRESSURE: 3189000 -247.958 -4.86625 -24.2293 -4.8671 -105.71 87.8268 -24.2284 87.8282 -88.4387 GPRESSURE: 3189000 -176.636 86.7261 -21.2729 -88.8531 -94.497 -17.1391 78.0859 66.28 -73.4722 PRESSAVG: 3189000 -21.6263 48.9672 2.3559 48.9672 -15.6355 -33.7118 2.35583 -33.7118 -24.2277 GPRESSAVG: 3189000 -20.463 51.996 3.81511 48.3414 -15.5409 -33.6235 2.39178 -33.2243 -24.7401 TIMING: 3189000 CPU: 9603.69, 0.00301835/step Wall: 9603.69, 0.00301835/step, 1.5184 hours remaining, 210.031250 MB of memory in use. ENERGY: 3189000 737.3265 2038.0876 1949.8503 108.3732 -205975.2676 17569.0257 0.0000 0.0000 34333.9187 -149238.6856 299.8467 -183572.6043 -149150.7169 298.8852 -147.3689 -114.8686 559787.0389 -20.4965 -20.2480 PRESSURE: 3189200 -383.066 198.374 41.1387 198.373 -164.104 -40.8181 41.1404 -40.8169 -74.4161 GPRESSURE: 3189200 -358.473 166.388 -4.68729 287.62 -137.826 -27.922 85.0798 -65.08 -46.1867 PRESSAVG: 3189200 -7.53497 65.6761 -7.17983 65.6759 11.604 -3.64393 -7.17974 -3.64386 15.8304 GPRESSAVG: 3189200 -8.0033 64.2131 -6.79683 66.8921 11.3547 -3.56543 -9.19455 -3.97494 16.6194 TIMING: 3189200 CPU: 9604.28, 0.00298904/step Wall: 9604.28, 0.00298904/step, 1.50349 hours remaining, 210.031250 MB of memory in use. ENERGY: 3189200 730.6493 2080.1618 1913.4464 112.6144 -206106.9435 17681.9520 0.0000 0.0000 34255.2595 -149332.8600 299.1597 -183588.1195 -149234.6551 298.7465 -207.1952 -180.8286 558558.4872 6.6331 6.6569 PRESSURE: 3189400 280.903 -52.6273 31.3482 -52.6278 84.7098 30.8489 31.3499 30.8475 -33.6924 GPRESSURE: 3189400 270.265 -54.2314 26.9448 -94.9498 81.5105 -32.1351 -50.0667 98.5752 68.9881 PRESSAVG: 3189400 -55.0824 56.4428 -34.4864 56.4428 4.71168 -27.2698 -34.4863 -27.2698 81.179 GPRESSAVG: 3189400 -55.8605 55.6446 -35.5167 55.0229 5.33924 -29.5506 -33.2854 -25.2968 81.294 TIMING: 3189400 CPU: 9604.88, 0.00299098/step Wall: 9604.88, 0.00299098/step, 1.5043 hours remaining, 210.031250 MB of memory in use. ENERGY: 3189400 722.5536 2111.2274 1902.0117 110.3776 -206143.5586 17860.0315 0.0000 0.0000 34336.3378 -149101.0190 299.8678 -183437.3568 -149001.0655 299.7503 110.6401 140.2544 556444.6858 10.2694 10.2576 PRESSURE: 3189600 101.056 99.4358 -52.1262 99.4363 -198.891 146.215 -52.1259 146.215 4.6282 GPRESSURE: 3189600 171.052 107.59 -44.6801 96.7667 -179.465 121.661 -46.1349 175.319 9.73832 PRESSAVG: 3189600 68.819 30.448 18.4703 30.448 -16.088 -45.2517 18.4703 -45.2517 -38.8748 GPRESSAVG: 3189600 70.0918 33.8805 16.6598 31.0432 -16.2572 -45.1184 19.8105 -46.0091 -39.8773 TIMING: 3189600 CPU: 9605.48, 0.00299872/step Wall: 9605.48, 0.00299872/step, 1.50802 hours remaining, 210.031250 MB of memory in use. ENERGY: 3189600 717.4397 2110.8892 1916.3616 112.4519 -205949.2348 17849.7594 0.0000 0.0000 34187.9170 -149054.4160 298.5716 -183242.3330 -148955.7754 299.8012 -31.0690 0.4418 558548.1157 4.6187 4.6524 PRESSURE: 3189800 119.466 171.125 -163.292 171.125 159.764 210.289 -163.294 210.289 226.452 GPRESSURE: 3189800 134.432 117.722 -37.9971 112.183 221.15 229.575 -168.126 225.476 248.742 PRESSAVG: 3189800 29.9451 74.223 -28.5037 74.2231 -15.1962 -37.9194 -28.5037 -37.9194 -44.0302 GPRESSAVG: 3189800 28.3409 71.5536 -27.9368 74.4238 -13.6039 -36.0364 -27.4524 -40.0306 -43.8836 TIMING: 3189800 CPU: 9606.08, 0.00297359/step Wall: 9606.08, 0.00297359/step, 1.49522 hours remaining, 210.031250 MB of memory in use. ENERGY: 3189800 728.9146 2131.7305 1917.4112 112.0017 -206243.2846 18092.4633 0.0000 0.0000 34227.5542 -149033.2091 298.9177 -183260.7633 -148934.8991 300.2459 168.5606 201.4412 557843.2471 -9.7604 -9.7155 PRESSURE: 3190000 -78.8501 -303.033 -6.2029 -303.033 -16.675 -222.659 -6.20412 -222.658 -316.127 GPRESSURE: 3190000 -67.1932 -313.754 48.4765 -228.249 11.3429 -188.995 33.8834 -192.998 -253.478 PRESSAVG: 3190000 -38.2477 57.2982 -32.7005 57.2983 71.6136 7.08017 -32.7007 7.08025 -28.0674 GPRESSAVG: 3190000 -38.5931 58.0907 -31.8639 57.372 70.0301 4.92855 -31.8122 9.70774 -26.322 TIMING: 3190000 CPU: 9606.66, 0.00294494/step Wall: 9606.66, 0.00294494/step, 1.48065 hours remaining, 210.031250 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: 3190000 745.0604 2183.1762 1916.7260 92.6595 -206122.0116 17854.3442 0.0000 0.0000 34178.9995 -149151.0459 298.4937 -183330.0454 -149055.1312 298.7707 -137.2173 -103.1096 559550.9235 1.7662 1.7050 PRESSURE: 3190200 38.8464 27.4214 108.549 27.4218 -109.065 -107.716 108.549 -107.718 -32.8438 GPRESSURE: 3190200 138.985 40.9683 197.631 43.0901 -71.5551 -78.4768 50.1117 -103.185 -77.7107 PRESSAVG: 3190200 -17.9946 -21.8761 44.398 -21.8761 10.7579 4.23273 44.3981 4.23282 -24.1819 GPRESSAVG: 3190200 -17.451 -21.7576 44.9996 -23.6574 10.5739 6.86104 42.2913 3.05596 -24.8478 TIMING: 3190200 CPU: 9607.26, 0.00295501/step Wall: 9607.26, 0.00295501/step, 1.48555 hours remaining, 210.031250 MB of memory in use. ENERGY: 3190200 740.1123 2090.4565 1945.0550 115.4389 -206128.8183 17855.1242 0.0000 0.0000 34202.5114 -149180.1200 298.6990 -183382.6314 -149089.4608 298.5506 -34.3542 -3.4270 559664.4329 -10.4729 -10.5749 PRESSURE: 3190400 -20.2819 -83.2121 191.341 -83.2125 121.693 -79.2382 191.341 -79.2391 26.1066 GPRESSURE: 3190400 -19.4846 -121.389 162.981 -4.34897 172.527 -112.891 268.198 -15.3661 73.7582 PRESSAVG: 3190400 -26.9519 -1.08672 20.7453 -1.08663 15.5267 -2.87614 20.7454 -2.87611 10.7558 GPRESSAVG: 3190400 -27.3669 -1.44586 19.6256 0.612784 16.4486 -1.6283 21.3538 -1.98858 10.4488 TIMING: 3190400 CPU: 9607.84, 0.00293541/step Wall: 9607.84, 0.00293541/step, 1.47553 hours remaining, 210.031250 MB of memory in use. ENERGY: 3190400 748.5887 2074.8981 1954.3610 112.8245 -206102.2784 17834.7958 0.0000 0.0000 34187.5246 -149189.2857 298.5682 -183376.8103 -149090.9451 299.1232 42.5059 75.6002 557542.0748 -0.2231 -0.1565 PRESSURE: 3190600 -316.19 108.73 -30.8453 108.731 -289.758 -63.0584 -30.8469 -63.0571 -107.326 GPRESSURE: 3190600 -225.948 222.87 9.12262 8.43829 -287.799 7.21627 -95.0391 -99.5983 -96.6097 PRESSAVG: 3190600 -46.968 9.00713 28.3228 9.00706 -14.0861 -28.7797 28.3227 -28.7798 58.0322 GPRESSAVG: 3190600 -45.9802 8.63829 28.859 7.89612 -14.9257 -31.3846 26.0166 -29.3795 57.4167 TIMING: 3190600 CPU: 9608.43, 0.00295783/step Wall: 9608.43, 0.00295783/step, 1.48664 hours remaining, 210.031250 MB of memory in use. ENERGY: 3190600 713.5758 2121.7879 1945.5860 91.7508 -205741.5846 17438.1738 0.0000 0.0000 34321.7404 -149108.9699 299.7403 -183430.7103 -149006.7955 299.5671 -237.7580 -203.4521 558002.8987 -1.0073 -1.1631 PRESSURE: 3190800 110.034 -71.3611 143.797 -71.3596 -246.995 -77.6817 143.796 -77.6819 -93.3036 GPRESSURE: 3190800 101.291 2.48314 87.1461 -53.6553 -216.968 -18.4086 134.173 -90.6279 -23.5125 PRESSAVG: 3190800 33.2812 34.6708 5.61763 34.6708 -51.3546 -1.26056 5.61756 -1.26049 -0.624451 GPRESSAVG: 3190800 32.0586 36.0109 6.63243 34.4321 -51.1571 0.331819 6.29197 -1.50492 0.134362 TIMING: 3190800 CPU: 9609.02, 0.00294355/step Wall: 9609.02, 0.00294355/step, 1.4793 hours remaining, 210.031250 MB of memory in use. ENERGY: 3190800 702.1334 2101.2952 1935.6211 117.1218 -205827.5625 17597.7508 0.0000 0.0000 34289.3454 -149084.2948 299.4574 -183373.6403 -148995.1933 299.5725 -76.7550 -46.3964 559857.3507 -6.2326 -6.3214 PRESSURE: 3191000 -19.3249 -57.581 -8.90601 -57.5817 -31.2894 94.867 -8.90497 94.8681 134.638 GPRESSURE: 3191000 -4.47348 -87.2221 -37.8002 6.63364 32.5021 98.8245 -27.7427 120.215 178.385 PRESSAVG: 3191000 5.08207 10.1439 6.50967 10.1439 -13.1184 -25.2214 6.50963 -25.2213 -18.753 GPRESSAVG: 3191000 5.52039 8.3527 5.60594 12.5507 -13.5797 -26.6287 6.16846 -26.4165 -18.4222 TIMING: 3191000 CPU: 9609.61, 0.00293833/step Wall: 9609.61, 0.00293833/step, 1.47651 hours remaining, 210.031250 MB of memory in use. ENERGY: 3191000 750.3602 2086.5224 1948.0624 114.4431 -206329.1804 18036.6613 0.0000 0.0000 34200.3220 -149192.8090 298.6799 -183393.1310 -149092.1837 299.5035 28.0080 68.8046 557655.9990 -8.9298 -8.8272 PRESSURE: 3191200 -345.855 -177.618 42.5609 -177.617 -51.8228 -23.3505 42.5609 -23.3506 -121.224 GPRESSURE: 3191200 -197.59 -241.566 -46.9679 -40.1819 -85.6084 12.4105 86.8466 -10.0497 -127.041 PRESSAVG: 3191200 -19.6661 -37.5878 -21.5305 -37.5878 24.8975 35.4051 -21.5304 35.405 -28.1225 GPRESSAVG: 3191200 -19.7573 -34.5841 -22.1218 -39.3537 24.5505 35.626 -20.8948 37.0687 -27.8781 TIMING: 3191200 CPU: 9610.2, 0.00295451/step Wall: 9610.2, 0.00295451/step, 1.48448 hours remaining, 210.031250 MB of memory in use. ENERGY: 3191200 799.9466 2105.1617 1936.9462 104.7877 -206011.1723 17748.1803 0.0000 0.0000 34239.0167 -149077.1331 299.0178 -183316.1498 -148987.1622 299.8683 -172.9673 -136.7467 558549.8838 -7.6304 -7.6950 PRESSURE: 3191400 -250.058 200.768 -56.8184 200.768 -357.665 9.48537 -56.8176 9.48472 -178.566 GPRESSURE: 3191400 -245.218 145.676 -6.00544 186.847 -299.659 -14.6827 16.4823 16.7872 -136.339 PRESSAVG: 3191400 -34.196 25.298 -5.58443 25.298 -28.2732 -10.8198 -5.58434 -10.8198 21.6774 GPRESSAVG: 3191400 -34.0923 24.1276 -5.85061 24.2152 -26.8097 -10.0347 -4.75221 -12.6923 20.4471 TIMING: 3191400 CPU: 9610.8, 0.00296775/step Wall: 9610.8, 0.00296775/step, 1.49097 hours remaining, 210.089844 MB of memory in use. ENERGY: 3191400 773.7544 2091.8843 1960.9909 114.7898 -205884.6843 17658.8272 0.0000 0.0000 34242.2563 -149042.1814 299.0461 -183284.4377 -148943.3790 300.0017 -262.0965 -227.0720 558451.8291 -13.5973 -13.4850 PRESSURE: 3191600 -14.6537 -117.187 -7.59607 -117.187 -65.0572 91.0602 -7.59752 91.061 76.4556 GPRESSURE: 3191600 -20.0325 -97.355 -2.72921 -147.909 36.1526 9.24266 -28.4417 102.039 75.6107 PRESSAVG: 3191600 5.63633 19.8664 -24.2341 19.8663 10.0865 31.2408 -24.2342 31.2406 25.4511 GPRESSAVG: 3191600 5.31941 18.5013 -24.3273 22.3883 10.6978 29.4939 -22.5274 32.1261 24.9088 TIMING: 3191600 CPU: 9611.39, 0.00295504/step Wall: 9611.39, 0.00295504/step, 1.48441 hours remaining, 210.089844 MB of memory in use. ENERGY: 3191600 726.5304 2068.0984 1940.5106 106.2685 -205798.2488 17664.4222 0.0000 0.0000 34444.8688 -148847.5499 300.8156 -183292.4187 -148746.7886 299.5884 -1.0851 30.5769 557338.8872 13.7246 13.6420 PRESSURE: 3191800 -255.519 -90.4995 44.9217 -90.4993 152.051 -154.911 44.9217 -154.912 -133.724 GPRESSURE: 3191800 -162.655 -78.218 33.7026 -39.7358 142.869 -189.911 52.7985 -198.874 -118.939 PRESSAVG: 3191800 -15.8203 17.8457 -15.3113 17.8456 12.7716 12.3648 -15.3113 12.3648 32.565 GPRESSAVG: 3191800 -16.3452 18.5428 -14.1895 16.4897 11.243 12.9985 -16.0114 11.679 34.4503 TIMING: 3191800 CPU: 9611.98, 0.00296954/step Wall: 9611.98, 0.00296954/step, 1.49153 hours remaining, 210.089844 MB of memory in use. ENERGY: 3191800 756.4749 2124.7346 1960.2746 119.1784 -205822.2058 17715.1033 0.0000 0.0000 34113.5072 -149032.9328 297.9217 -183146.4400 -148944.5258 299.9289 -79.0641 -46.2414 557629.6731 9.8388 9.7827 PRESSURE: 3192000 -156.188 -136.263 -71.2304 -136.263 206.754 82.6905 -71.2302 82.6896 -374.602 GPRESSURE: 3192000 -106.235 -53.8363 -36.9249 -135.389 179.169 35.9154 -121.988 86.1684 -302.625 PRESSAVG: 3192000 -55.6684 -5.22931 -63.6552 -5.22933 45.1503 -44.1491 -63.6552 -44.1493 40.1798 GPRESSAVG: 3192000 -55.5039 -4.68857 -64.2684 -4.79774 45.4003 -43.6242 -64.5479 -44.4177 39.7431 TIMING: 3192000 CPU: 9612.57, 0.00296382/step Wall: 9612.57, 0.00296382/step, 1.48849 hours remaining, 210.089844 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: 3192000 691.3168 2090.0119 1956.2584 124.5263 -205546.9834 17499.9870 0.0000 0.0000 34246.9345 -148937.9487 299.0870 -183184.8832 -148843.5418 299.5532 -108.0117 -76.5639 558354.7538 9.8872 9.8798 PRESSURE: 3192200 -37.1086 13.5222 154.745 13.5216 -135.906 100.888 154.743 100.887 -81.5813 GPRESSURE: 3192200 -17.4578 14.1274 201.233 43.551 -76.1869 181.569 162.413 80.584 -64.2544 PRESSAVG: 3192200 -40.3654 20.5677 -5.69744 20.5676 31.03 -14.6418 -5.69739 -14.6417 45.0648 GPRESSAVG: 3192200 -41.0616 21.043 -5.01667 20.126 31.9648 -14.2556 -6.72215 -14.7353 44.8068 TIMING: 3192200 CPU: 9613.17, 0.00297237/step Wall: 9613.17, 0.00297237/step, 1.49263 hours remaining, 210.089844 MB of memory in use. ENERGY: 3192200 741.6136 2080.9322 1951.6310 121.1286 -205886.1911 17678.1884 0.0000 0.0000 34314.8564 -148997.8408 299.6802 -183312.6972 -148902.0542 299.8324 -84.8654 -52.6330 558521.6918 11.9098 11.9033 LDB: ============= START OF LOAD BALANCING ============== 9616.68 LDB: ============== END OF LOAD BALANCING =============== 9616.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9616.69 LDB: ============= START OF LOAD BALANCING ============== 9616.98 LDB: Largest compute 4802 load 0.029685 is 25.1% of average load 0.118113 LDB: Average compute 0.001734 is 1.5% of average load 0.118113 LDB: TIME 9616.98 LOAD: AVG 0.118113 MAX 0.206653 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 9616.98 LOAD: AVG 0.118113 MAX 0.206653 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: TIME 9616.98 LOAD: AVG 0.118113 MAX 0.206653 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: ============== END OF LOAD BALANCING =============== 9616.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9616.99 PRESSURE: 3192400 111.741 84.9388 56.1287 84.9384 -154.941 83.3803 56.1282 83.3799 -167.307 GPRESSURE: 3192400 180.588 151.542 20.6651 26.1204 -125.218 100.493 62.2533 70.1886 -156.839 PRESSAVG: 3192400 -21.6684 34.1011 -10.9076 34.1011 -39.5842 -17.4984 -10.9077 -17.4983 49.9217 GPRESSAVG: 3192400 -20.4401 32.7867 -12.8103 34.685 -40.2154 -17.8224 -8.89984 -15.8882 49.9104 TIMING: 3192400 CPU: 9613.77, 0.0030334/step Wall: 9613.77, 0.00303339/step, 1.5231 hours remaining, 208.484375 MB of memory in use. ENERGY: 3192400 763.3513 2088.4656 1931.7548 113.6038 -206179.1707 17834.0292 0.0000 0.0000 34248.3130 -149199.6530 299.0990 -183447.9660 -149107.0424 299.6961 -70.1693 -33.8229 558387.1908 -3.7770 -3.5817 PRESSURE: 3192600 125.465 -191.801 -95.3829 -191.803 -24.4457 -74.0376 -95.3822 -74.0364 87.0399 GPRESSURE: 3192600 190.888 -138.749 -48.3583 -158.556 -14.9226 -83.5984 -67.9776 -72.8448 97.2463 PRESSAVG: 3192600 10.4785 -10.2809 -28.0043 -10.2808 -31.6954 18.7249 -28.0043 18.7249 -1.61103 GPRESSAVG: 3192600 10.391 -9.48188 -28.7179 -11.5383 -31.5086 17.7077 -27.8729 18.1283 -0.685992 TIMING: 3192600 CPU: 9614.37, 0.00295878/step Wall: 9614.37, 0.00295878/step, 1.48547 hours remaining, 208.687500 MB of memory in use. ENERGY: 3192600 734.9075 2111.5832 1933.8767 112.8838 -205966.1633 17695.0879 0.0000 0.0000 34075.9362 -149301.8881 297.5936 -183377.8243 -149200.5815 299.0007 62.6863 91.0705 557990.2866 -7.6093 -7.2679 PRESSURE: 3192800 -120.46 -14.0589 -139.358 -14.0593 -96.08 1.4635 -139.359 1.4654 -118.28 GPRESSURE: 3192800 -117.467 -84.1923 -219.451 -44.3648 -60.0801 -72.3386 -109.77 36.5053 -51.5494 PRESSAVG: 3192800 1.10826 -2.04235 -39.026 -2.04226 -32.4266 31.7552 -39.026 31.7552 59.4671 GPRESSAVG: 3192800 1.3132 -3.5357 -37.1899 1.10444 -32.2882 32.2485 -40.567 31.4894 59.4294 TIMING: 3192800 CPU: 9614.96, 0.0029642/step Wall: 9614.96, 0.0029642/step, 1.48803 hours remaining, 208.687500 MB of memory in use. ENERGY: 3192800 720.7019 2118.1012 1947.9575 113.1710 -205716.7291 17572.6676 0.0000 0.0000 34172.6546 -149071.4752 298.4383 -183244.1298 -148982.2681 299.3356 -111.6066 -76.3656 557306.8741 9.3829 9.4848 PRESSURE: 3193000 -6.19245 0.951986 154.86 0.951637 -51.8433 2.14295 154.859 2.14348 94.5364 GPRESSURE: 3193000 19.9548 104.412 182.163 -63.539 -47.2635 -42.5415 191.445 4.48083 179.328 PRESSAVG: 3193000 -18.6676 30.4367 -29.281 30.4368 -17.8406 -32.2359 -29.2811 -32.2358 24.4067 GPRESSAVG: 3193000 -17.7124 31.8258 -30.1864 28.412 -17.8328 -32.555 -28.6032 -31.7009 23.8212 TIMING: 3193000 CPU: 9615.55, 0.00295996/step Wall: 9615.55, 0.00295996/step, 1.48574 hours remaining, 208.687500 MB of memory in use. ENERGY: 3193000 727.5410 2044.9672 1948.9628 110.3525 -206128.6053 17753.3779 0.0000 0.0000 34394.3901 -149149.0138 300.3748 -183543.4039 -149042.4302 299.4138 12.1669 50.6730 556802.7038 -4.0338 -3.9080 PRESSURE: 3193200 97.4317 52.5176 -111.3 52.5174 165.149 85.6695 -111.299 85.6683 92.4294 GPRESSURE: 3193200 153.604 33.089 -132.443 99.1785 173.831 37.7433 -36.6765 173.481 138.187 PRESSAVG: 3193200 2.65786 37.5077 -5.03156 37.5077 27.9247 16.309 -5.03158 16.3088 3.27582 GPRESSAVG: 3193200 1.48953 37.0237 -5.78537 37.6707 27.1184 15.0143 -6.18673 16.1882 5.696 TIMING: 3193200 CPU: 9616.15, 0.00297317/step Wall: 9616.15, 0.00297317/step, 1.4922 hours remaining, 208.687500 MB of memory in use. ENERGY: 3193200 680.3781 2070.2632 1947.4124 114.9101 -206091.3286 17883.5784 0.0000 0.0000 34156.4546 -149238.3318 298.2968 -183394.7864 -149147.2832 299.7448 118.3367 155.2075 556425.0695 11.2861 11.4346 PRESSURE: 3193400 -2.28332 150.003 -99.3957 150.001 -309.813 58.3791 -99.3965 58.3777 31.7031 GPRESSURE: 3193400 16.6308 134.793 -10.4751 130.125 -254.586 51.3785 -177.204 100.779 62.8628 PRESSAVG: 3193400 5.78652 33.9262 -28.2603 33.9262 23.2524 58.6355 -28.2602 58.6356 -10.3688 GPRESSAVG: 3193400 7.14947 34.4066 -26.6871 32.1915 23.864 59.4126 -28.1984 60.7245 -11.9868 TIMING: 3193400 CPU: 9616.75, 0.00301626/step Wall: 9616.75, 0.00301626/step, 1.51366 hours remaining, 208.687500 MB of memory in use. ENERGY: 3193400 730.6988 2133.2930 1920.7657 109.7340 -206451.2486 17959.8640 0.0000 0.0000 34338.9790 -149257.9140 299.8908 -183596.8930 -149167.6494 299.6899 -93.4645 -58.3642 557678.7227 6.2234 6.3422 PRESSURE: 3193600 -227.392 -158.023 -110.638 -158.024 -302.445 9.6313 -110.638 9.63096 -72.9725 GPRESSURE: 3193600 -170.235 -91.2121 -171.099 -203.276 -291.629 68.9421 -94.8723 -10.8342 -42.5098 PRESSAVG: 3193600 18.5745 11.2845 -47.9478 11.2845 26.8886 -4.98716 -47.9478 -4.98704 -0.417805 GPRESSAVG: 3193600 18.0278 11.2868 -48.2538 11.3599 26.7042 -4.16666 -45.9072 -4.80122 0.477972 TIMING: 3193600 CPU: 9617.35, 0.00298802/step Wall: 9617.35, 0.00298802/step, 1.49932 hours remaining, 208.687500 MB of memory in use. ENERGY: 3193600 755.6070 1982.9366 1954.9161 115.3787 -206103.1900 17593.9603 0.0000 0.0000 34418.0756 -149282.3156 300.5816 -183700.3912 -149193.2566 300.0466 -200.9366 -168.1246 557112.9890 15.0151 15.0700 PRESSURE: 3193800 -440.587 71.897 -88.4159 71.8965 -62.7955 131.269 -88.4155 131.269 -235.019 GPRESSURE: 3193800 -431.933 -15.3574 -29.9419 133.273 0.278332 48.6833 -51.3591 192.476 -214.659 PRESSAVG: 3193800 11.0307 -74.1432 -7.33133 -74.1432 25.8586 52.282 -7.33136 52.2822 13.8845 GPRESSAVG: 3193800 10.859 -74.1253 -7.19215 -72.958 26.9174 52.1979 -8.8649 50.6054 12.8277 TIMING: 3193800 CPU: 9617.94, 0.00298361/step Wall: 9617.94, 0.00298361/step, 1.49694 hours remaining, 208.890625 MB of memory in use. ENERGY: 3193800 793.3424 2038.1215 1941.2208 115.8954 -205998.1553 17595.1683 0.0000 0.0000 34333.6754 -149180.7315 299.8445 -183514.4068 -149086.6699 298.5584 -246.1339 -215.4380 558322.0393 16.9246 16.8680 PRESSURE: 3194000 31.1597 65.4511 49.4094 65.4505 -48.8799 -55.8788 49.41 -55.8774 90.7791 GPRESSURE: 3194000 90.8866 4.66882 78.3617 15.9599 -59.1403 -130.378 -53.5412 -68.1751 145.097 PRESSAVG: 3194000 -29.3388 -7.94783 8.74512 -7.94787 -21.9331 26.9691 8.74519 26.9693 -2.21453 GPRESSAVG: 3194000 -28.4172 -9.90559 9.71963 -7.63279 -22.2255 27.2674 8.95419 27.6198 -2.43406 TIMING: 3194000 CPU: 9618.54, 0.00296933/step Wall: 9618.54, 0.00296933/step, 1.48962 hours remaining, 208.890625 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: 3194000 793.2670 2079.5906 1936.6414 110.7493 -206315.5037 17890.0774 0.0000 0.0000 34289.9925 -149215.1855 299.4630 -183505.1780 -149125.9002 300.0019 24.3530 58.9476 557950.8942 -17.8288 -17.6923 PRESSURE: 3194200 34.747 53.4135 59.1807 53.4133 223.928 235.153 59.1801 235.154 -0.825347 GPRESSURE: 3194200 67.5842 38.7007 166.845 100.365 247.681 307.632 -24.8374 191.547 35.5462 PRESSAVG: 3194200 72.9664 -51.104 -6.19 -51.104 -8.58311 23.4831 -6.19005 23.4832 -31.9512 GPRESSAVG: 3194200 71.7694 -49.2729 -6.13696 -51.7269 -8.61356 24.4455 -6.52225 22.2747 -31.6132 TIMING: 3194200 CPU: 9619.13, 0.00297342/step Wall: 9619.13, 0.00297342/step, 1.4915 hours remaining, 208.890625 MB of memory in use. ENERGY: 3194200 744.7736 2040.1796 1939.1885 118.4539 -206252.2707 17982.3194 0.0000 0.0000 34023.7281 -149403.6276 297.1377 -183427.3557 -149311.5827 299.0455 85.9500 116.9370 556206.9375 10.8107 10.5142 PRESSURE: 3194400 107.697 -57.8395 -66.3658 -57.8395 -52.937 -61.1547 -66.3666 -61.1543 -84.2794 GPRESSURE: 3194400 201.98 -15.5533 -94.237 -114.267 -57.8625 -63.1605 -21.3181 -48.8093 -79.0767 PRESSAVG: 3194400 49.1204 -24.9908 13.3567 -24.9908 -6.48737 6.13098 13.3567 6.13093 -21.0616 GPRESSAVG: 3194400 49.9101 -25.3841 10.2306 -25.9441 -7.47266 3.99442 15.0993 4.85559 -20.6896 TIMING: 3194400 CPU: 9619.72, 0.00296596/step Wall: 9619.72, 0.00296596/step, 1.48759 hours remaining, 208.890625 MB of memory in use. ENERGY: 3194400 736.4209 2039.9369 1905.1775 103.1486 -206116.0100 17818.2525 0.0000 0.0000 34136.4844 -149376.5891 298.1224 -183513.0736 -149284.1479 298.0653 -9.8398 21.6804 557218.4003 7.1905 7.2493 PRESSURE: 3194600 -228.089 -68.9554 185.899 -68.955 174.786 -194.777 185.897 -194.775 -132.121 GPRESSURE: 3194600 -168.081 -129.29 177.421 -1.30554 240.444 -162.616 156.484 -277.607 -157.626 PRESSAVG: 3194600 5.95841 -10.5299 -10.3397 -10.5299 23.5339 34.1926 -10.3397 34.1927 -17.7015 GPRESSAVG: 3194600 4.89062 -11.9988 -8.14112 -7.22927 24.9187 33.4128 -13.797 35.0602 -18.1627 TIMING: 3194600 CPU: 9620.31, 0.00294175/step Wall: 9620.31, 0.00294175/step, 1.47529 hours remaining, 208.890625 MB of memory in use. ENERGY: 3194600 800.1400 2020.0663 1923.0777 128.5213 -206087.6298 17711.8132 0.0000 0.0000 34183.8770 -149320.1345 298.5363 -183504.0115 -149222.6937 298.4612 -61.8082 -28.4210 555735.7851 3.9303 3.8822 PRESSURE: 3194800 136.985 55.7111 182.885 55.7116 122.449 -23.2875 182.885 -23.2894 93.5131 GPRESSURE: 3194800 168.485 85.687 144.227 11.212 175.357 -109.21 202.808 10.8228 124.112 PRESSAVG: 3194800 48.9373 -14.4724 -14.5921 -14.4724 -1.15086 -4.0881 -14.5922 -4.0881 -16.7642 GPRESSAVG: 3194800 49.1532 -12.0609 -13.9976 -16.4031 -1.1438 -4.66614 -13.9415 -2.65077 -16.9018 TIMING: 3194800 CPU: 9620.9, 0.0029548/step Wall: 9620.9, 0.0029548/step, 1.48167 hours remaining, 208.890625 MB of memory in use. ENERGY: 3194800 739.9590 2088.6752 1947.0600 120.2187 -206372.1844 17879.5035 0.0000 0.0000 34320.3145 -149276.4536 299.7278 -183596.7681 -149183.4069 298.6680 117.6490 155.9849 555634.6020 10.3408 10.3692 PRESSURE: 3195000 -93.2119 -27.7023 -40.3585 -27.7014 -79.8525 78.7522 -40.358 78.7511 -118.216 GPRESSURE: 3195000 -91.7459 -49.2636 -29.2248 18.2688 22.6366 44.4608 -35.1217 153.682 -131.386 PRESSAVG: 3195000 47.1355 -28.1196 14.7884 -28.1195 13.5674 31.0172 14.7884 31.0173 -94.9867 GPRESSAVG: 3195000 46.8984 -28.0562 13.3605 -30.3715 13.6462 33.2286 17.0802 29.615 -95.2573 TIMING: 3195000 CPU: 9621.5, 0.00297789/step Wall: 9621.5, 0.00297789/step, 1.49308 hours remaining, 208.890625 MB of memory in use. ENERGY: 3195000 746.5194 2080.9781 1940.7459 107.7397 -205902.9296 17625.6528 0.0000 0.0000 34252.9800 -149148.3136 299.1398 -183401.2936 -149052.6099 299.1732 -97.0935 -66.8316 556576.3173 -11.4279 -11.5709 PRESSURE: 3195200 49.3588 103.673 -32.6189 103.672 40.83 -48.2867 -32.6186 -48.2877 -201.451 GPRESSURE: 3195200 73.9513 137.579 60.3509 21.182 105.118 -27.2598 -76.2188 -35.8157 -180.568 PRESSAVG: 3195200 36.4467 22.6054 -56.8712 22.6054 56.6499 62.9484 -56.8712 62.9486 -43.313 GPRESSAVG: 3195200 38.5969 23.9305 -55.2503 23.2583 55.84 62.1375 -60.669 63.9213 -44.6852 TIMING: 3195200 CPU: 9622.09, 0.00295223/step Wall: 9622.09, 0.00295223/step, 1.48005 hours remaining, 208.890625 MB of memory in use. ENERGY: 3195200 730.9484 2118.9203 1950.8327 116.8040 -206084.3532 17787.1110 0.0000 0.0000 34210.4828 -149169.2540 298.7687 -183379.7368 -149076.5047 299.3790 -37.0874 -0.4995 557208.5395 16.5945 16.5839 PRESSURE: 3195400 202.298 51.5422 10.474 51.5411 347.712 63.9496 10.4745 63.948 395.03 GPRESSURE: 3195400 235.73 88.5588 -15.8356 52.9876 349.555 113.781 3.44015 45.6589 465.592 PRESSAVG: 3195400 -3.45866 15.619 -35.7331 15.619 -6.62684 49.8824 -35.7332 49.8824 29.0306 GPRESSAVG: 3195400 -4.01178 13.4553 -35.5373 17.2491 -6.64669 49.9349 -33.1578 49.5339 29.7734 TIMING: 3195400 CPU: 9622.68, 0.00295568/step Wall: 9622.68, 0.00295568/step, 1.48162 hours remaining, 208.890625 MB of memory in use. ENERGY: 3195400 765.4987 2091.3169 1936.5296 111.0380 -206731.7179 18352.2620 0.0000 0.0000 34230.9705 -149244.1021 298.9476 -183475.0727 -149149.0633 299.2230 315.0133 350.2923 556265.3336 6.3150 6.3717 PRESSURE: 3195600 -219.895 -164.552 116.251 -164.552 -220.11 14.4018 116.252 14.4025 -347.161 GPRESSURE: 3195600 -183.894 -184.908 87.454 -149.463 -170.179 75.6576 37.0914 -53.4511 -349.539 PRESSAVG: 3195600 -16.6242 27.9536 14.4614 27.9537 28.2264 16.505 14.4614 16.5052 5.37553 GPRESSAVG: 3195600 -18.3387 28.4205 12.35 27.9344 29.0752 17.7963 13.9402 15.1624 6.02524 TIMING: 3195600 CPU: 9623.27, 0.00296582/step Wall: 9623.27, 0.00296582/step, 1.48654 hours remaining, 208.890625 MB of memory in use. ENERGY: 3195600 768.8175 2090.2125 1960.7119 102.8582 -205997.5042 17409.7040 0.0000 0.0000 34380.3920 -149284.8080 300.2525 -183665.2001 -149187.6273 299.2063 -262.3885 -234.5373 558642.4033 5.6592 5.5873 PRESSURE: 3195800 -95.395 105.362 122.471 105.362 -28.8834 -129.506 122.472 -129.507 -156.793 GPRESSURE: 3195800 -95.7654 10.1643 136.253 59.4543 10.0451 -171.84 123.861 -63.2308 -87.0827 PRESSAVG: 3195800 -9.35784 -28.5087 -11.007 -28.5087 17.9403 -2.1599 -11.0069 -2.15987 -22.909 GPRESSAVG: 3195800 -9.24061 -28.1748 -6.57659 -28.002 17.2772 -3.38127 -11.819 -3.24689 -22.2101 TIMING: 3195800 CPU: 9623.87, 0.00297511/step Wall: 9623.87, 0.00297511/step, 1.49103 hours remaining, 208.890625 MB of memory in use. ENERGY: 3195800 727.4057 2055.6209 1937.4907 99.0686 -205946.2428 17635.4459 0.0000 0.0000 34270.4575 -149220.7534 299.2924 -183491.2109 -149127.9752 299.2874 -93.6903 -57.6010 558737.7277 -4.7755 -4.7245 PRESSURE: 3196000 130.637 24.5833 -168.497 24.5831 -33.0583 -10.9344 -168.496 -10.9357 28.6067 GPRESSURE: 3196000 128.353 79.9364 -221.783 -2.87616 -9.92046 32.2369 -219.624 -60.3519 106.867 PRESSAVG: 3196000 10.4524 -21.7072 -37.1691 -21.7072 9.89681 2.31207 -37.1691 2.31189 1.1428 GPRESSAVG: 3196000 11.4857 -22.4496 -40.7979 -21.4395 8.8524 1.58423 -36.1629 4.80719 1.47087 TIMING: 3196000 CPU: 9624.46, 0.00297167/step Wall: 9624.46, 0.00297167/step, 1.48914 hours remaining, 208.890625 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: 3196000 711.2739 2072.2530 1921.3035 100.5217 -206147.5045 17940.4359 0.0000 0.0000 34308.4371 -149093.2794 299.6241 -183401.7165 -148991.8399 299.2869 42.0619 75.0998 558791.4478 7.1640 7.2697 PRESSURE: 3196200 -136.321 104.851 -92.833 104.852 116.643 13.9765 -92.8345 13.9773 141.713 GPRESSURE: 3196200 -133.948 83.6661 -171.897 116.249 166.491 29.2981 -6.0318 -9.3124 172.883 PRESSAVG: 3196200 -6.59361 48.9816 -8.81151 48.9815 -29.1129 -21.3797 -8.81151 -21.3797 40.7614 GPRESSAVG: 3196200 -7.62433 48.1418 -8.7678 49.0395 -27.9138 -18.4092 -9.44652 -21.1072 40.3185 TIMING: 3196200 CPU: 9625.06, 0.00299817/step Wall: 9625.06, 0.00299817/step, 1.50225 hours remaining, 208.890625 MB of memory in use. ENERGY: 3196200 739.1617 2102.7413 1906.4949 113.7325 -205937.8885 17850.6095 0.0000 0.0000 34145.8806 -149079.2680 298.2045 -183225.1486 -148976.9215 299.7743 40.6783 68.4752 559625.1378 1.6849 1.5935 LDB: ============= START OF LOAD BALANCING ============== 9628.58 LDB: ============== END OF LOAD BALANCING =============== 9628.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9628.58 LDB: ============= START OF LOAD BALANCING ============== 9628.88 LDB: Largest compute 4802 load 0.029447 is 24.9% of average load 0.118128 LDB: Average compute 0.001730 is 1.5% of average load 0.118128 LDB: TIME 9628.88 LOAD: AVG 0.118128 MAX 0.205791 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.258 MB LDB: TIME 9628.88 LOAD: AVG 0.118128 MAX 0.205791 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.258 MB LDB: TIME 9628.88 LOAD: AVG 0.118128 MAX 0.205791 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.258 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9628.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9628.89 PRESSURE: 3196400 -168.662 -35.927 -28.0057 -35.9269 -56.1971 176.038 -28.004 176.037 -178.747 GPRESSURE: 3196400 -154.028 37.7154 -91.7914 -69.2265 -24.4677 233.852 72.1205 124.924 -146.849 PRESSAVG: 3196400 -34.1595 5.6918 43.8109 5.69173 -16.2028 66.9488 43.8109 66.9487 49.7019 GPRESSAVG: 3196400 -34.4519 9.01911 45.6571 4.34349 -15.9864 65.3902 44.7049 65.7337 49.1796 TIMING: 3196400 CPU: 9625.67, 0.00302771/step Wall: 9625.67, 0.00302771/step, 1.51688 hours remaining, 209.882812 MB of memory in use. ENERGY: 3196400 723.2771 2129.4218 1943.5244 122.9345 -205971.6487 17700.0599 0.0000 0.0000 34328.4766 -149023.9545 299.7991 -183352.4312 -148932.7633 300.0970 -134.5353 -108.4482 559106.2754 -0.2201 -0.4195 PRESSURE: 3196600 -166.002 58.4226 169.307 58.4229 -56.8219 13.3389 169.306 13.3384 -138.269 GPRESSURE: 3196600 -112.42 47.3671 145.421 120.376 -85.5824 -33.888 123.08 26.6917 -78.0804 PRESSAVG: 3196600 -28.0015 15.2254 -4.37458 15.2254 -18.7132 111.103 -4.37461 111.103 13.8318 GPRESSAVG: 3196600 -27.1781 13.3952 -6.42828 16.4155 -19.971 110.861 -4.15362 113.037 14.2681 TIMING: 3196600 CPU: 9626.27, 0.00300261/step Wall: 9626.27, 0.00300261/step, 1.50414 hours remaining, 209.882812 MB of memory in use. ENERGY: 3196600 742.3609 2078.6793 1934.0118 117.3982 -205999.7549 17696.9767 0.0000 0.0000 34338.9442 -149091.3838 299.8905 -183430.3280 -148997.3327 300.0299 -120.3644 -92.0278 558198.0386 -10.9610 -10.9603 PRESSURE: 3196800 86.7935 -6.30792 -137.58 -6.30939 186.586 -43.2543 -137.578 -43.2536 213.705 GPRESSURE: 3196800 126.491 70.3488 -95.1548 -32.8766 204.923 -73.8427 -132.695 83.4228 253.846 PRESSAVG: 3196800 -92.9223 33.6105 21.3452 33.6106 46.8462 25.158 21.3452 25.1579 66.537 GPRESSAVG: 3196800 -93.8052 34.745 23.3001 33.1771 46.6897 24.3334 19.4609 26.0461 67.6285 TIMING: 3196800 CPU: 9626.87, 0.00298083/step Wall: 9626.87, 0.00298083/step, 1.49306 hours remaining, 210.144531 MB of memory in use. ENERGY: 3196800 731.5280 2074.9847 1962.3727 104.0112 -206284.3916 17974.5182 0.0000 0.0000 34312.6622 -149124.3145 299.6610 -183436.9767 -149025.8816 299.9867 162.3616 195.0866 556682.3074 6.8203 6.8377 PRESSURE: 3197000 -116.95 -143.766 -3.93126 -143.766 33.7464 77.5126 -3.93202 77.5114 106.988 GPRESSURE: 3197000 -42.6088 -71.8694 -84.516 -222.429 54.0099 7.33973 -1.6048 145.979 111.639 PRESSAVG: 3197000 18.3579 18.9584 -37.3822 18.9583 3.1134 34.1688 -37.3822 34.1687 25.7561 GPRESSAVG: 3197000 18.8494 18.4871 -37.6797 19.0011 2.31476 34.1906 -36.7837 31.4743 25.762 TIMING: 3197000 CPU: 9627.47, 0.00304548/step Wall: 9627.47, 0.00304548/step, 1.52528 hours remaining, 210.144531 MB of memory in use. ENERGY: 3197000 743.0374 2045.5878 1983.7532 123.9825 -206043.3662 17837.8326 0.0000 0.0000 34262.0912 -149047.0816 299.2194 -183309.1728 -148951.7092 299.6681 7.9282 41.0134 558855.4346 15.7425 15.6421 PRESSURE: 3197200 -189.694 -14.1202 -146.998 -14.1199 283.046 65.3975 -146.999 65.3972 149.317 GPRESSURE: 3197200 -155.116 79.7744 -81.0095 -98.3061 264.461 86.0963 -135.911 70.2126 233.261 PRESSAVG: 3197200 -8.4227 -12.5973 1.78963 -12.5973 26.8804 -3.11389 1.78955 -3.11375 -30.0112 GPRESSAVG: 3197200 -8.63796 -14.0644 -0.0354466 -11.6126 29.2878 -2.25786 2.44197 -5.15976 -31.7748 TIMING: 3197200 CPU: 9628.08, 0.00300439/step Wall: 9628.08, 0.00300439/step, 1.50453 hours remaining, 210.144531 MB of memory in use. ENERGY: 3197200 722.9938 2064.5621 1958.6585 113.4868 -206095.8114 17848.1495 0.0000 0.0000 34393.9889 -148993.9717 300.3713 -183387.9606 -148895.2865 299.8145 80.8896 114.2022 556174.0859 -3.8511 -3.7083 PRESSURE: 3197400 312.172 5.22253 78.9325 5.22326 199.516 -22.3623 78.9318 -22.3623 -12.5146 GPRESSURE: 3197400 324.326 69.2181 96.5593 -62.1474 188.703 -13.499 48.3023 -65.6964 79.5359 PRESSAVG: 3197400 5.92595 15.8702 46.637 15.8702 -9.14961 -33.0582 46.637 -33.0583 -9.28573 GPRESSAVG: 3197400 4.50223 14.9797 46.8633 16.1292 -10.0055 -34.2071 46.7949 -29.7112 -7.35274 TIMING: 3197400 CPU: 9628.68, 0.00301327/step Wall: 9628.68, 0.00301327/step, 1.50881 hours remaining, 210.144531 MB of memory in use. ENERGY: 3197400 731.6870 2123.2201 1920.5795 107.9240 -206146.3080 18040.2152 0.0000 0.0000 34353.6275 -148869.0546 300.0188 -183222.6821 -148773.4523 300.4580 166.3914 197.5217 556102.7783 -4.1698 -4.2853 PRESSURE: 3197600 -99.8789 -85.3315 2.72155 -85.3302 24.4052 -29.848 2.72112 -29.8473 -342.25 GPRESSURE: 3197600 -118.106 14.4063 76.2083 -111.667 73.25 46.9713 1.67844 -120.627 -272.379 PRESSAVG: 3197600 3.78695 -7.66518 43.9018 -7.66519 20.9447 20.4977 43.9017 20.4977 -9.99557 GPRESSAVG: 3197600 6.00984 -6.13101 46.3755 -8.59525 20.9125 20.7069 43.8183 21.2375 -11.6254 TIMING: 3197600 CPU: 9629.28, 0.00303125/step Wall: 9629.28, 0.00303125/step, 1.51764 hours remaining, 210.378906 MB of memory in use. ENERGY: 3197600 782.8534 2066.8923 1945.3302 112.1033 -205354.5850 17522.9026 0.0000 0.0000 34254.4520 -148670.0513 299.1526 -182924.5033 -148581.9575 300.2073 -139.2414 -105.7448 557700.8558 4.9120 5.0990 PRESSURE: 3197800 61.568 -90.498 39.3552 -90.498 99.8084 -164.212 39.3548 -164.211 127.21 GPRESSURE: 3197800 129.596 -116.902 36.8907 -44.3125 132.623 -223.075 50.4835 -195.508 126.374 PRESSAVG: 3197800 -0.726952 -0.723116 5.35541 -0.723091 16.3498 -36.9323 5.35538 -36.9323 0.6773 GPRESSAVG: 3197800 -0.747877 -0.67924 5.16536 0.0474789 16.6296 -36.9823 6.27597 -36.6521 0.371813 TIMING: 3197800 CPU: 9629.89, 0.00301757/step Wall: 9629.89, 0.00301756/step, 1.51063 hours remaining, 210.378906 MB of memory in use. ENERGY: 3197800 754.6575 2072.3271 1959.9613 106.9566 -205853.3263 17875.9058 0.0000 0.0000 34375.8446 -148707.6733 300.2128 -183083.5179 -148615.4245 300.4287 96.1955 129.5311 557715.2223 5.4334 5.4178 PRESSURE: 3198000 192.578 -125.483 -12.6782 -125.483 101.798 171.691 -12.6788 171.69 -7.66229 GPRESSURE: 3198000 243.96 -159.859 -2.32168 -192.056 160.996 157.144 -52.6608 157.831 -7.89834 PRESSAVG: 3198000 -8.73765 -24.2659 -22.4517 -24.2659 40.1135 5.94464 -22.4517 5.94461 -43.9357 GPRESSAVG: 3198000 -9.91851 -25.4315 -23.5754 -23.2742 40.4 6.82875 -22.1772 6.16116 -43.2726 TIMING: 3198000 CPU: 9630.49, 0.00299556/step Wall: 9630.49, 0.00299556/step, 1.49945 hours remaining, 210.378906 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: 3198000 746.6369 2063.0836 1964.0486 103.2990 -206215.9626 17918.0858 0.0000 0.0000 34442.5608 -148978.2479 300.7954 -183420.8087 -148872.6816 300.5053 95.5710 132.3525 555804.6544 -4.1866 -4.2637 PRESSURE: 3198200 -71.6826 -17.2615 -91.9274 -17.2625 77.4728 201.591 -91.928 201.591 136.643 GPRESSURE: 3198200 1.05129 -13.0826 -62.9193 -23.4535 72.8173 104.798 -63.5748 298.81 167.362 PRESSAVG: 3198200 -40.1749 33.3673 -14.9321 33.3673 10.3224 -24.2017 -14.932 -24.2017 -5.96209 GPRESSAVG: 3198200 -39.4078 33.5213 -13.8407 32.613 10.8064 -25.8248 -15.8539 -24.4368 -6.86932 TIMING: 3198200 CPU: 9631.08, 0.00298895/step Wall: 9631.08, 0.00298895/step, 1.49597 hours remaining, 210.378906 MB of memory in use. ENERGY: 3198200 752.0562 2100.7694 1944.7285 129.7787 -205996.8150 17754.3530 0.0000 0.0000 34539.2264 -148775.9028 301.6397 -183315.1292 -148683.8873 300.1380 47.4779 80.4101 556881.9860 -11.9382 -11.8236 PRESSURE: 3198400 -32.95 32.4806 145.576 32.4802 111.847 -70.0956 145.576 -70.0947 -85.3354 GPRESSURE: 3198400 -56.8077 -15.3734 51.5453 102.234 171.748 -100.202 187.56 -16.2352 -24.7049 PRESSAVG: 3198400 -36.1532 13.8887 3.12263 13.8887 98.7569 2.63492 3.12267 2.63495 -40.2354 GPRESSAVG: 3198400 -36.9147 14.0836 2.6871 12.8246 98.7445 4.82104 3.93254 1.55704 -39.3883 TIMING: 3198400 CPU: 9631.68, 0.00295817/step Wall: 9631.68, 0.00295817/step, 1.4804 hours remaining, 210.378906 MB of memory in use. ENERGY: 3198400 797.8837 2069.8163 1934.7878 113.5762 -205947.3295 17750.8439 0.0000 0.0000 34448.3181 -148832.1035 300.8457 -183280.4216 -148731.0280 301.4903 -2.1460 30.0786 557949.0488 7.4561 7.4805 PRESSURE: 3198600 369.063 14.2681 -77.2619 14.2688 -32.5947 -56.1349 -77.2615 -56.1379 -25.1171 GPRESSURE: 3198600 451.62 10.1773 -60.3859 12.5978 7.86184 -76.8997 -54.4053 -42.4339 -54.0245 PRESSAVG: 3198600 -25.9353 29.6892 66.5643 29.6892 -9.04724 -9.32688 66.5643 -9.32667 3.863 GPRESSAVG: 3198600 -26.4074 30.071 67.9922 30.3579 -8.99272 -9.96124 65.9701 -7.62298 3.43046 TIMING: 3198600 CPU: 9632.27, 0.00298274/step Wall: 9632.27, 0.00298274/step, 1.49253 hours remaining, 210.378906 MB of memory in use. ENERGY: 3198600 736.7724 2078.9907 1931.3242 112.7999 -205925.4955 17881.3006 0.0000 0.0000 34293.6896 -148890.6183 299.4953 -183184.3078 -148790.4200 300.6322 103.7838 135.1526 558053.0796 -10.3732 -10.6566 PRESSURE: 3198800 17.4176 44.2337 -200.482 44.2336 -198.072 -88.6897 -200.481 -88.6894 27.1791 GPRESSURE: 3198800 52.3618 32.5329 -193.516 6.99637 -162.999 -154.464 -246.279 -44.4567 62.3052 PRESSAVG: 3198800 -1.61751 -5.52228 7.18165 -5.52226 13.1899 53.4856 7.18159 53.4854 19.0933 GPRESSAVG: 3198800 -1.75154 -3.69574 5.14566 -6.05419 13.1144 53.8044 7.35355 52.4746 19.9345 TIMING: 3198800 CPU: 9632.87, 0.00297907/step Wall: 9632.87, 0.00297907/step, 1.49053 hours remaining, 210.378906 MB of memory in use. ENERGY: 3198800 718.7006 2045.6281 1950.2778 107.5463 -205845.9561 17673.0288 0.0000 0.0000 34318.7439 -149032.0306 299.7141 -183350.7746 -148933.5667 300.7252 -51.1586 -16.1108 558073.9720 10.2219 10.4324 PRESSURE: 3199000 156.639 174.827 31.8155 174.828 65.7949 -45.3402 31.8139 -45.3403 173.936 GPRESSURE: 3199000 146.505 157.491 46.9384 131.643 110.047 -71.8039 -11.3167 -92.5465 234.251 PRESSAVG: 3199000 -4.67435 -9.58809 -7.80202 -9.58811 -10.5319 -10.34 -7.80202 -10.34 22.3346 GPRESSAVG: 3199000 -4.3553 -13.9189 -7.43978 -9.0522 -11.6415 -11.4751 -9.33697 -10.5396 22.7213 TIMING: 3199000 CPU: 9633.46, 0.00297595/step Wall: 9633.46, 0.00297594/step, 1.4888 hours remaining, 210.378906 MB of memory in use. ENERGY: 3199000 773.9866 2107.9953 1969.6359 101.8608 -206216.9702 18072.3007 0.0000 0.0000 34363.4476 -148827.7433 300.1045 -183191.1908 -148737.2916 300.4335 132.1232 163.6010 557408.5866 2.3761 2.2415 PRESSURE: 3199200 15.9252 95.1436 79.634 95.1418 59.6735 -24.4051 79.6324 -24.4038 -115.001 GPRESSURE: 3199200 -37.9339 163.186 157.226 108.697 73.9 79.4511 80.6607 -6.69549 20.7731 PRESSAVG: 3199200 -14.1956 4.80421 -24.2033 4.80417 -18.7145 -37.045 -24.2034 -37.045 -9.10511 GPRESSAVG: 3199200 -15.446 6.85975 -25.0529 6.17973 -17.0748 -37.1426 -22.9885 -36.0572 -9.23004 TIMING: 3199200 CPU: 9634.06, 0.00297586/step Wall: 9634.06, 0.00297586/step, 1.48859 hours remaining, 210.378906 MB of memory in use. ENERGY: 3199200 764.9568 2090.4911 1982.0745 117.0045 -206025.5814 17709.2903 0.0000 0.0000 34478.0173 -148883.7469 301.1051 -183361.7641 -148782.4381 300.9043 -13.1342 18.9131 557242.0906 -14.0051 -13.9170 PRESSURE: 3199400 244.97 4.17366 112.027 4.17303 105.278 117.585 112.027 117.584 8.27854 GPRESSURE: 3199400 266.128 -3.65135 18.9016 -18.2321 200.077 135.88 43.622 156.55 -12.7322 PRESSAVG: 3199400 -26.422 -34.3919 20.758 -34.3919 34.0303 20.6984 20.7578 20.6986 -9.04188 GPRESSAVG: 3199400 -26.1265 -33.7344 22.3272 -34.9923 33.2735 20.965 21.7043 18.8113 -9.46395 TIMING: 3199400 CPU: 9634.65, 0.00296772/step Wall: 9634.65, 0.00296772/step, 1.48435 hours remaining, 210.378906 MB of memory in use. ENERGY: 3199400 729.9221 2106.0530 1943.4445 126.4789 -206224.9957 17913.4380 0.0000 0.0000 34367.1360 -149038.5232 300.1367 -183405.6592 -148951.5861 300.4483 119.5090 151.1575 556568.0013 -0.4779 -0.7723 PRESSURE: 3199600 -62.625 75.7312 43.5988 75.7292 8.84752 -69.9856 43.5987 -69.9848 88.554 GPRESSURE: 3199600 -60.4508 16.1264 78.8743 163.946 118.473 -19.0092 25.464 -67.9132 74.0825 PRESSAVG: 3199600 -47.6021 -3.94643 59.1489 -3.94647 26.76 -15.0562 59.1488 -15.0563 41.3692 GPRESSAVG: 3199600 -46.982 -4.057 56.427 -4.00692 26.2026 -15.1859 58.9905 -12.9535 41.3137 TIMING: 3199600 CPU: 9635.25, 0.00296769/step Wall: 9635.25, 0.00296769/step, 1.48418 hours remaining, 210.378906 MB of memory in use. ENERGY: 3199600 743.0409 2100.0259 1935.5400 113.4808 -206346.9234 17912.9191 0.0000 0.0000 34098.6916 -149443.2251 297.7924 -183541.9168 -149350.6356 298.9579 11.5922 44.0348 557916.5066 6.8424 6.8448 PRESSURE: 3199800 89.6769 11.3387 -9.44457 11.3371 -34.359 209.11 -9.44395 209.114 185.655 GPRESSURE: 3199800 64.5594 55.8411 49.853 7.94898 29.4117 254.592 -46.6986 259.773 249.115 PRESSAVG: 3199800 -66.9258 -15.7757 -22.8317 -15.7758 41.8529 5.12986 -22.8317 5.12976 2.36862 GPRESSAVG: 3199800 -67.2417 -19.0181 -20.8127 -16.0439 41.9245 5.66544 -24.7369 3.70525 2.48646 TIMING: 3199800 CPU: 9635.84, 0.00297453/step Wall: 9635.84, 0.00297453/step, 1.48743 hours remaining, 210.378906 MB of memory in use. ENERGY: 3199800 715.3691 2140.9852 1954.2962 119.3946 -206611.7542 17965.8708 0.0000 0.0000 34377.6077 -149338.2305 300.2282 -183715.8383 -149245.2893 299.2504 80.3243 114.3619 556508.6321 -7.5681 -7.6102 PRESSURE: 3200000 -205.62 38.0214 32.113 38.0221 138.814 145.201 32.1118 145.202 -67.3122 GPRESSURE: 3200000 -155.875 -38.4728 77.801 36.0452 153.286 51.9184 70.3888 146.065 -35.8486 PRESSAVG: 3200000 39.3214 -10.1162 -9.87485 -10.1161 36.5853 -27.9522 -9.87491 -27.9522 -10.5134 GPRESSAVG: 3200000 39.9215 -7.78347 -11.6383 -11.2857 36.5047 -27.9063 -6.67695 -28.3629 -10.7151 TIMING: 3200000 CPU: 9636.43, 0.00295494/step Wall: 9636.43, 0.00295494/step, 1.47747 hours remaining, 210.378906 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: 3200000 767.7245 2118.9026 1940.2292 107.6739 -206311.5749 17847.9655 0.0000 0.0000 34203.9764 -149325.1029 298.7118 -183529.0793 -149228.7891 298.9612 -44.7063 -12.8124 556568.5625 21.7978 21.9037 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3200000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 3200000 WRITING COORDINATES TO RESTART FILE AT STEP 3200000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3200200 22.9668 -115.095 189.608 -115.096 -376.205 173.449 189.608 173.45 65.1228 GPRESSURE: 3200200 37.4374 -158.44 122.054 -79.9039 -266.667 120.598 130.309 181.631 35.0696 PRESSAVG: 3200200 43.4954 15.3255 -12.0448 15.3255 -67.7853 6.02861 -12.0448 6.02854 31.6481 GPRESSAVG: 3200200 44.1196 17.1693 -13.2175 15.515 -67.2871 7.73336 -15.0235 6.64648 31.2087 TIMING: 3200200 CPU: 9637.04, 0.00304217/step Wall: 9637.04, 0.00304217/step, 1.52092 hours remaining, 210.378906 MB of memory in use. ENERGY: 3200200 774.1452 2085.3771 1970.1818 121.4776 -206092.6349 17676.4748 0.0000 0.0000 34053.5548 -149411.4236 297.3982 -183464.9785 -149328.1502 298.6125 -96.0383 -64.7200 556891.3109 2.4527 2.6804 LDB: ============= START OF LOAD BALANCING ============== 9640.55 LDB: ============== END OF LOAD BALANCING =============== 9640.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9640.55 LDB: ============= START OF LOAD BALANCING ============== 9640.85 LDB: Largest compute 4802 load 0.030347 is 25.7% of average load 0.118128 LDB: Average compute 0.001731 is 1.5% of average load 0.118128 LDB: TIME 9640.86 LOAD: AVG 0.118128 MAX 0.207002 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.438 MB LDB: TIME 9640.86 LOAD: AVG 0.118128 MAX 0.207002 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.641 MB LDB: TIME 9640.86 LOAD: AVG 0.118128 MAX 0.207002 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.641 MB LDB: ============== END OF LOAD BALANCING =============== 9640.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9640.86 PRESSURE: 3200400 161.232 -139.897 -163.156 -139.897 -6.01818 -22.2775 -163.156 -22.2789 -55.9612 GPRESSURE: 3200400 167.435 -198.614 -165.433 -66.072 8.77011 13.8678 -159.876 -22.0109 28.2085 PRESSAVG: 3200400 63.1021 -41.4202 6.95061 -41.4202 -117.033 -6.69894 6.95063 -6.69895 61.0256 GPRESSAVG: 3200400 63.1176 -43.9844 7.02983 -41.2029 -117.519 -9.14943 7.85533 -5.39151 62.0048 TIMING: 3200400 CPU: 9637.65, 0.00302788/step Wall: 9637.65, 0.00302788/step, 1.5136 hours remaining, 209.968750 MB of memory in use. ENERGY: 3200400 762.3261 2098.6503 1934.6640 125.3047 -206127.5123 17702.4514 0.0000 0.0000 34129.7414 -149374.3742 298.0635 -183504.1156 -149275.1501 298.9553 33.0843 68.1378 557886.9285 2.3649 2.5345 PRESSURE: 3200600 208.061 65.7226 133.676 65.7228 127.241 106.46 133.676 106.459 164.387 GPRESSURE: 3200600 297.123 35.0344 188.011 2.79186 85.9968 38.736 87.5671 -15.6863 214.232 PRESSAVG: 3200600 10.6437 -24.0394 73.1279 -24.0394 -74.6287 -30.9851 73.1277 -30.9852 42.782 GPRESSAVG: 3200600 9.67178 -23.4002 74.2617 -25.0851 -73.7329 -30.6992 73.3003 -31.4902 43.1709 TIMING: 3200600 CPU: 9638.24, 0.00298362/step Wall: 9638.24, 0.00298362/step, 1.49131 hours remaining, 209.968750 MB of memory in use. ENERGY: 3200600 761.4863 2084.4450 1961.7304 116.1035 -206826.4010 18134.3841 0.0000 0.0000 34202.6035 -149565.6481 298.6998 -183768.2516 -149473.9707 298.4173 166.5632 199.1172 554915.3055 -7.0677 -6.9634 PRESSURE: 3200800 -64.2844 54.9685 -20.1798 54.9671 -2.25376 33.1422 -20.1804 33.144 -492.898 GPRESSURE: 3200800 -23.7481 41.3847 -138.723 42.4965 -21.1141 44.1725 0.254182 -15.1062 -421.858 PRESSAVG: 3200800 22.8036 -31.3676 23.5452 -31.3676 -44.22 -86.4647 23.5452 -86.4646 6.42111 GPRESSAVG: 3200800 23.3583 -31.299 22.9222 -29.527 -44.5125 -87.3156 22.2032 -84.6859 6.29754 TIMING: 3200800 CPU: 9638.84, 0.00296537/step Wall: 9638.84, 0.00296537/step, 1.48203 hours remaining, 209.968750 MB of memory in use. ENERGY: 3200800 744.4288 2138.3424 1931.2447 111.5142 -206386.7856 17740.1189 0.0000 0.0000 34194.3898 -149526.7469 298.6281 -183721.1366 -149427.2956 298.0449 -186.4787 -155.5733 557649.5427 -4.9984 -4.9522 PRESSURE: 3201000 53.028 -25.1921 42.9054 -25.1928 38.7594 -87.3843 42.9065 -87.3845 -58.6588 GPRESSURE: 3201000 113.815 -81.994 95.0661 -30.2589 81.1359 -93.3722 -25.5106 -148.705 -58.8171 PRESSAVG: 3201000 47.529 47.6656 22.3659 47.6656 -26.2575 21.7536 22.3658 21.7536 9.67736 GPRESSAVG: 3201000 47.1513 48.5752 23.4846 47.415 -26.1262 22.078 22.9261 22.3212 10.7134 TIMING: 3201000 CPU: 9639.43, 0.002983/step Wall: 9639.43, 0.002983/step, 1.49067 hours remaining, 209.968750 MB of memory in use. ENERGY: 3201000 774.5775 2116.8836 1932.7617 129.6247 -206219.3026 17854.1465 0.0000 0.0000 34026.2642 -149385.0445 297.1598 -183411.3087 -149291.9598 298.1596 11.0428 45.3778 557508.6033 10.3163 10.5795 PRESSURE: 3201200 -171.77 126.002 149.706 126.003 -129.398 -48.7694 149.705 -48.7697 -38.0385 GPRESSURE: 3201200 -66.2911 144.907 134.37 103.509 -130.334 -10.5647 190.495 -80.2571 -48.4576 PRESSAVG: 3201200 -4.37244 -13.8425 35.8113 -13.8425 24.8454 -22.7946 35.8113 -22.7948 -8.50825 GPRESSAVG: 3201200 -3.32217 -13.9489 37.1113 -13.7846 25.5817 -21.2064 35.751 -23.4678 -9.80218 TIMING: 3201200 CPU: 9640.03, 0.00298226/step Wall: 9640.03, 0.00298226/step, 1.49014 hours remaining, 209.968750 MB of memory in use. ENERGY: 3201200 774.6229 2117.8511 1944.3548 99.6758 -206318.4796 17652.2218 0.0000 0.0000 34095.6875 -149634.0658 297.7661 -183729.7533 -149529.7513 298.3553 -113.0689 -81.6941 556361.9390 3.9882 4.1525 PRESSURE: 3201400 -34.0077 -18.4368 68.8501 -18.4362 -257.777 -96.7063 68.8495 -96.7048 -11.9502 GPRESSURE: 3201400 55.7101 -28.147 -38.1024 -1.11574 -283.122 -23.2694 170.444 -70.1182 25.2429 PRESSAVG: 3201400 -30.404 -12.5705 -8.40674 -12.5705 0.121273 -60.347 -8.40665 -60.347 51.5363 GPRESSAVG: 3201400 -30.1549 -10.935 -9.07688 -13.1994 -1.89712 -59.8419 -9.01102 -59.173 53.5338 TIMING: 3201400 CPU: 9640.63, 0.00299041/step Wall: 9640.63, 0.00299041/step, 1.49404 hours remaining, 209.968750 MB of memory in use. ENERGY: 3201400 735.8044 2177.7298 1942.5004 105.9296 -206114.5866 17667.9293 0.0000 0.0000 33963.5742 -149521.1189 296.6123 -183484.6932 -149418.6461 297.9351 -101.2449 -67.3897 558928.2172 7.0845 7.1606 PRESSURE: 3201600 233.486 -143.505 107.378 -143.504 100.203 -96.506 107.378 -96.5061 279.829 GPRESSURE: 3201600 304.934 -164.538 115.686 -188.8 156.809 88.7356 160.788 -130.2 244.018 PRESSAVG: 3201600 -16.0472 2.20185 35.7551 2.20187 24.9044 -100.88 35.7551 -100.88 1.32274 GPRESSAVG: 3201600 -16.4547 -0.268546 35.6323 2.56285 26.3391 -100.27 37.0637 -103.107 0.268297 TIMING: 3201600 CPU: 9641.23, 0.00301714/step Wall: 9641.23, 0.00301714/step, 1.50723 hours remaining, 209.968750 MB of memory in use. ENERGY: 3201600 715.7867 2096.8030 1931.0347 105.4740 -206725.1885 18188.1719 0.0000 0.0000 34170.9322 -149516.9860 298.4233 -183687.9182 -149421.6813 298.1816 204.5057 235.2536 556863.7757 3.3933 3.3842 PRESSURE: 3201800 44.2891 -53.4898 -47.3481 -53.4902 50.6195 43.1645 -47.3484 43.1647 -81.979 GPRESSURE: 3201800 96.8961 -31.5615 -84.5004 -4.4532 71.0912 42.8296 4.21752 -2.99648 -57.3307 PRESSAVG: 3201800 -85.4482 5.34576 1.60286 5.34579 -0.561218 70.6978 1.60285 70.6976 60.2209 GPRESSAVG: 3201800 -84.0065 6.91234 0.059542 4.95214 -1.02236 69.0529 2.51312 70.993 58.9192 TIMING: 3201800 CPU: 9641.83, 0.00301133/step Wall: 9641.83, 0.00301133/step, 1.50416 hours remaining, 209.968750 MB of memory in use. ENERGY: 3201800 757.6769 2130.9319 1951.2305 117.2346 -206687.2922 18034.2822 0.0000 0.0000 34187.2358 -149508.7003 298.5656 -183695.9361 -149417.6770 298.8147 4.3099 36.8855 557135.1107 -8.5962 -8.7032 PRESSURE: 3202000 357.186 77.1117 -14.873 77.112 19.8691 -29.0594 -14.8731 -29.0592 197.575 GPRESSURE: 3202000 328.226 4.86054 15.4095 104.058 63.1128 -46.8983 -47.2848 -17.7892 275.057 PRESSAVG: 3202000 -32.975 -27.4407 9.49427 -27.4407 18.9227 12.3142 9.4943 12.3143 12.9958 GPRESSAVG: 3202000 -34.9216 -29.4991 10.6071 -26.2741 19.0432 13.5861 8.38864 11.9816 14.6768 TIMING: 3202000 CPU: 9642.43, 0.00301034/step Wall: 9642.43, 0.00301034/step, 1.5035 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: 3202000 725.1805 2057.9737 1964.3546 129.8627 -206709.8521 18154.8516 0.0000 0.0000 34062.6542 -149614.9747 297.4776 -183677.6289 -149520.0412 298.6481 191.5434 222.1317 558290.3307 -0.3521 -0.4005 PRESSURE: 3202200 -159.926 105.42 -34.8342 105.42 -123.652 -68.7573 -34.8351 -68.7567 -118.152 GPRESSURE: 3202200 -102.804 77.0466 -85.7061 92.1049 -143.816 -58.0368 -64.5611 -24.7613 -60.1323 PRESSAVG: 3202200 -31.0814 -50.0143 -69.1099 -50.0142 23.7588 -0.685009 -69.1098 -0.685048 37.6962 GPRESSAVG: 3202200 -29.9661 -50.1628 -71.18 -50.2903 23.3837 -0.861586 -68.0576 -0.399247 37.0057 TIMING: 3202200 CPU: 9643.04, 0.00300321/step Wall: 9643.04, 0.00300321/step, 1.49977 hours remaining, 209.968750 MB of memory in use. ENERGY: 3202200 734.1897 2065.1351 1950.4891 122.6851 -206541.3384 17934.7507 0.0000 0.0000 34254.7079 -149479.3808 299.1549 -183734.0887 -149383.1947 298.6911 -133.9100 -102.2509 558761.0166 10.1245 10.1411 PRESSURE: 3202400 -186.617 192.347 136.631 192.345 -91.1328 16.2296 136.63 16.2288 -196.976 GPRESSURE: 3202400 -160.583 113.946 160.67 227.73 -31.21 12.4828 124.941 -24.4343 -198.184 PRESSAVG: 3202400 -19.1371 -31.9661 -11.6604 -31.9661 -4.57504 21.8148 -11.6603 21.8148 70.7056 GPRESSAVG: 3202400 -19.2177 -27.9116 -8.26539 -35.0566 -3.4125 21.3329 -12.7928 22.821 69.3985 TIMING: 3202400 CPU: 9643.63, 0.00297879/step Wall: 9643.63, 0.0029788/step, 1.48741 hours remaining, 209.968750 MB of memory in use. ENERGY: 3202400 745.5229 2107.0729 1950.3500 127.6454 -206397.1091 17655.8308 0.0000 0.0000 34311.9695 -149498.7177 299.6550 -183810.6872 -149401.3575 298.9874 -158.2420 -129.9922 558550.5505 15.6645 15.5894 PRESSURE: 3202600 53.1058 218.117 -75.5959 218.118 1.48748 60.0729 -75.5974 60.0725 -40.854 GPRESSURE: 3202600 60.1211 204.919 -146.202 210.489 75.2297 -14.0476 19.2903 101.701 -17.1455 PRESSAVG: 3202600 37.5515 -2.91795 36.8991 -2.91793 10.7432 -27.2436 36.8991 -27.2436 -8.16594 GPRESSAVG: 3202600 37.5509 -6.89995 35.3849 -0.133506 10.003 -28.737 37.5257 -28.798 -7.29728 TIMING: 3202600 CPU: 9644.23, 0.00298736/step Wall: 9644.23, 0.00298736/step, 1.49152 hours remaining, 209.968750 MB of memory in use. ENERGY: 3202600 728.4785 2105.5187 1937.2163 120.0292 -206618.5858 17926.1793 0.0000 0.0000 34313.8027 -149487.3612 299.6710 -183801.1639 -149391.3738 298.7911 4.5798 39.4018 557121.5611 13.3763 13.4189 PRESSURE: 3202800 -11.1742 100.33 204.888 100.329 -201.403 -130.57 204.888 -130.57 387.879 GPRESSURE: 3202800 20.7338 107.434 93.6062 104.161 -156.068 -124.245 288.534 -108.575 410.426 PRESSAVG: 3202800 27.8042 -2.84524 18.7169 -2.84537 -10.5213 -75.1167 18.7168 -75.1168 -25.5829 GPRESSAVG: 3202800 28.3456 -2.51035 18.6193 -2.83599 -11.4006 -73.4675 18.5264 -74.8947 -24.6904 TIMING: 3202800 CPU: 9644.83, 0.00299264/step Wall: 9644.83, 0.00299264/step, 1.49399 hours remaining, 209.968750 MB of memory in use. ENERGY: 3202800 740.0290 2107.2411 1928.1307 118.8807 -206505.9965 17896.0297 0.0000 0.0000 34206.2941 -149509.3912 298.7321 -183715.6853 -149412.4494 298.8884 58.4338 91.6972 557455.1851 -2.7667 -2.5818 PRESSURE: 3203000 -242.668 43.9495 -81.6119 43.9496 -102.76 -71.4781 -81.6124 -71.4787 34.9966 GPRESSURE: 3203000 -231.251 39.7434 -24.4861 53.4161 -42.0167 -98.6617 -110.742 -17.6928 62.3795 PRESSAVG: 3203000 11.2424 13.3095 -2.06377 13.3094 -30.5434 24.8179 -2.06379 24.818 11.348 GPRESSAVG: 3203000 9.6585 14.4465 -1.92968 12.0952 -29.11 25.2578 -1.29033 24.9753 11.7776 TIMING: 3203000 CPU: 9645.42, 0.0029545/step Wall: 9645.42, 0.0029545/step, 1.47479 hours remaining, 209.968750 MB of memory in use. ENERGY: 3203000 743.9579 2054.7541 1939.7332 100.3282 -206067.0338 17736.9622 0.0000 0.0000 33974.4312 -149516.8671 296.7072 -183491.2983 -149420.5131 297.9547 -103.4771 -70.2959 558812.2790 -2.6510 -2.5580 PRESSURE: 3203200 -104.894 -16.8064 182.444 -16.8072 -260.87 -38.4168 182.444 -38.4147 -424.821 GPRESSURE: 3203200 -63.9767 -10.1206 223.358 -2.5587 -273.753 12.4372 90.7074 3.0907 -371.458 PRESSAVG: 3203200 14.0183 -27.8795 11.1876 -27.8794 10.3094 23.096 11.1875 23.096 33.0037 GPRESSAVG: 3203200 14.2839 -29.2975 13.5991 -27.2732 10.3142 24.6476 9.78799 20.6592 32.2884 TIMING: 3203200 CPU: 9646.01, 0.0029599/step Wall: 9646.01, 0.0029599/step, 1.47732 hours remaining, 209.968750 MB of memory in use. ENERGY: 3203200 773.1131 2086.4086 1945.0064 110.7137 -206285.6872 17578.6686 0.0000 0.0000 34190.5234 -149601.2536 298.5943 -183791.7769 -149511.7377 298.0171 -263.5285 -236.3960 558528.0432 19.1105 18.9621 PRESSURE: 3203400 -84.4783 154.216 -2.17442 154.216 153.941 40.6258 -2.17463 40.6266 97.4144 GPRESSURE: 3203400 -60.153 125.498 36.2226 180.667 228.128 51.4756 -30.8958 94.2866 84.6281 PRESSAVG: 3203400 -10.5923 -21.1353 8.0661 -21.1353 -29.8533 21.0361 8.06613 21.0362 31.4682 GPRESSAVG: 3203400 -9.14395 -21.4228 5.96361 -20.2192 -30.29 20.724 9.81563 22.5286 30.2646 TIMING: 3203400 CPU: 9646.6, 0.00296587/step Wall: 9646.6, 0.00296587/step, 1.48014 hours remaining, 209.968750 MB of memory in use. ENERGY: 3203400 766.6211 2069.8678 1943.2824 122.1161 -206801.1894 18215.1122 0.0000 0.0000 34135.2664 -149548.9234 298.1118 -183684.1898 -149454.3901 298.2389 55.6256 84.2009 558211.4167 -2.9925 -3.0564 PRESSURE: 3203600 -109.276 1.13115 -92.3384 1.13092 143.93 0.0417046 -92.3385 0.0421478 -82.709 GPRESSURE: 3203600 -119.894 18.6263 -141.256 -3.54183 156.655 104.795 -131.368 -56.3003 8.22385 PRESSAVG: 3203600 -48.9488 38.7316 -19.3743 38.7316 34.3476 -12.6561 -19.3743 -12.6559 -12.6506 GPRESSAVG: 3203600 -50.8367 40.6383 -18.5803 36.5362 35.1966 -12.4176 -21.8382 -11.1688 -11.6223 TIMING: 3203600 CPU: 9647.2, 0.00296051/step Wall: 9647.2, 0.00296051/step, 1.4773 hours remaining, 209.968750 MB of memory in use. ENERGY: 3203600 759.2712 2035.9653 1947.2974 124.5723 -206405.2102 17879.4131 0.0000 0.0000 34080.5474 -149578.1435 297.6339 -183658.6909 -149482.2645 298.1955 -16.0186 14.9949 557419.5354 -9.0840 -9.0875 PRESSURE: 3203800 4.10796 10.9939 -21.3849 10.9941 -14.4469 -48.7354 -21.3832 -48.734 -138.547 GPRESSURE: 3203800 48.7043 84.005 -130.015 -18.4321 17.081 4.43566 -42.3766 -58.7319 -95.2566 PRESSAVG: 3203800 -34.6138 -17.3175 -56.332 -17.3176 -17.0436 -37.3842 -56.332 -37.3842 57.3808 GPRESSAVG: 3203800 -34.1165 -14.0432 -59.3047 -18.2228 -17.3037 -38.8684 -53.137 -36.9845 56.3716 TIMING: 3203800 CPU: 9647.79, 0.00297707/step Wall: 9647.79, 0.00297707/step, 1.48539 hours remaining, 209.968750 MB of memory in use. ENERGY: 3203800 794.9867 2050.4390 1952.9759 102.9849 -206645.2740 18109.2664 0.0000 0.0000 34237.6751 -149396.9460 299.0061 -183634.6211 -149306.1220 298.5400 -49.6286 -9.8238 558915.4473 1.9078 1.6504 PRESSURE: 3204000 178.906 70.4931 -20.5137 70.493 73.2326 -134.292 -20.5146 -134.292 103.928 GPRESSURE: 3204000 199.984 129.935 -99.6617 37.2042 94.9017 -132.847 53.5556 -188.091 151.752 PRESSAVG: 3204000 16.0402 15.1912 -2.40207 15.1912 5.4709 4.68678 -2.40201 4.68676 -2.59223 GPRESSAVG: 3204000 16.7883 14.275 1.03333 16.9211 5.74161 5.71445 -4.81546 4.04522 -3.9765 TIMING: 3204000 CPU: 9648.38, 0.00296675/step Wall: 9648.38, 0.00296675/step, 1.48008 hours remaining, 210.230469 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: 3204000 752.8731 1997.7539 1946.0687 125.5128 -206637.6807 18107.0176 0.0000 0.0000 34304.6025 -149403.8521 299.5906 -183708.4546 -149311.1324 299.8500 118.6889 148.8792 557920.0473 6.3063 6.1845 PRESSURE: 3204200 101.785 -27.5737 111.207 -27.5736 -300.211 -80.5864 111.206 -80.5872 146.657 GPRESSURE: 3204200 96.1038 18.3255 204.102 -53.9893 -195.653 -144.695 13.8646 -13.3854 142.922 PRESSAVG: 3204200 -10.5552 -32.0798 20.1771 -32.0798 36.3521 -23.4253 20.1772 -23.4252 1.06859 GPRESSAVG: 3204200 -12.0501 -35.85 16.9013 -30.3825 36.3989 -24.4121 20.7054 -23.4595 2.55677 TIMING: 3204200 CPU: 9648.98, 0.00297306/step Wall: 9648.98, 0.00297306/step, 1.48306 hours remaining, 210.230469 MB of memory in use. ENERGY: 3204200 761.0318 2075.3498 1950.0834 111.3376 -206410.1214 17912.1478 0.0000 0.0000 34397.5515 -149202.6194 300.4024 -183600.1710 -149108.6653 299.1112 -17.2564 14.4574 557350.9886 8.9552 8.9685 LDB: ============= START OF LOAD BALANCING ============== 9652.5 LDB: ============== END OF LOAD BALANCING =============== 9652.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9652.5 LDB: ============= START OF LOAD BALANCING ============== 9652.8 LDB: Largest compute 4802 load 0.029307 is 24.8% of average load 0.118172 LDB: Average compute 0.001730 is 1.5% of average load 0.118172 LDB: TIME 9652.8 LOAD: AVG 0.118172 MAX 0.208697 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.988 MB LDB: TIME 9652.8 LOAD: AVG 0.118172 MAX 0.208697 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.191 MB LDB: TIME 9652.8 LOAD: AVG 0.118172 MAX 0.208697 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.191 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9652.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9652.81 PRESSURE: 3204400 72.3208 -86.6105 -44.4739 -86.611 55.8274 -41.4946 -44.4716 -41.494 28.75 GPRESSURE: 3204400 43.1037 -79.1743 -138.135 -100.074 152.472 -70.3655 2.14458 -15.132 61.86 PRESSAVG: 3204400 -34.694 -30.8329 -51.7481 -30.8328 27.4908 56.393 -51.748 56.393 -7.48828 GPRESSAVG: 3204400 -33.7383 -27.8247 -51.2118 -32.2545 28.952 59.0008 -51.1989 54.7764 -8.92717 TIMING: 3204400 CPU: 9649.59, 0.00307073/step Wall: 9649.59, 0.00307073/step, 1.53161 hours remaining, 208.429688 MB of memory in use. ENERGY: 3204400 751.6577 2070.8064 1969.6854 120.0799 -205919.4303 17779.7391 0.0000 0.0000 34256.0388 -148971.4231 299.1665 -183227.4619 -148879.7280 300.0122 52.2994 85.8119 556853.6597 -4.8972 -4.5712 PRESSURE: 3204600 -58.172 -128.92 -136.126 -128.92 -66.9553 -65.6258 -136.126 -65.625 18.01 GPRESSURE: 3204600 -43.3404 -75.1585 -84.1549 -164.505 -40.525 -65.2568 -105.844 -155.821 62.56 PRESSAVG: 3204600 100.073 -8.48409 -75.5318 -8.48412 -6.92084 -26.8993 -75.5319 -26.8993 -54.2407 GPRESSAVG: 3204600 98.9029 -9.8368 -71.8419 -8.06176 -6.93942 -28.7046 -76.6704 -25.8271 -52.7215 TIMING: 3204600 CPU: 9650.19, 0.00297916/step Wall: 9650.19, 0.00297916/step, 1.48577 hours remaining, 208.429688 MB of memory in use. ENERGY: 3204600 751.7114 2073.9208 1971.7836 122.0766 -205951.6365 17666.8540 0.0000 0.0000 34190.9469 -149174.3431 298.5980 -183365.2901 -149082.2157 299.8270 -35.7058 -7.1018 557286.2885 12.9703 13.0807 PRESSURE: 3204800 -177.626 39.0567 -112.309 39.0566 41.6101 103.535 -112.307 103.535 -54.1437 GPRESSURE: 3204800 -123.326 31.3713 -67.0549 -3.64938 84.8102 74.3002 -110.135 82.8732 -46.3438 PRESSAVG: 3204800 -2.98817 -60.9107 -70.6295 -60.9107 -40.974 -69.6551 -70.6296 -69.655 -8.70002 GPRESSAVG: 3204800 -0.760664 -59.8819 -71.5673 -62.0979 -42.1289 -68.2474 -70.62 -68.8501 -9.35556 TIMING: 3204800 CPU: 9650.79, 0.00299944/step Wall: 9650.79, 0.00299944/step, 1.49572 hours remaining, 208.429688 MB of memory in use. ENERGY: 3204800 756.2644 2113.2604 1975.6431 102.6039 -205851.5719 17470.2087 0.0000 0.0000 34341.0136 -149092.5777 299.9086 -183433.5913 -149004.6788 299.6545 -63.3866 -28.2867 556475.8252 -17.5541 -17.4151 PRESSURE: 3205000 -100.048 253.057 -64.6433 253.057 -336.784 50.001 -64.6434 50.0008 94.4353 GPRESSURE: 3205000 -96.9994 129.775 -77.7117 294.657 -256.968 89.2974 -41.8332 -25.0328 109.058 PRESSAVG: 3205000 -25.489 15.8535 -33.8131 15.8535 14.7822 9.11468 -33.8131 9.11457 44.9939 GPRESSAVG: 3205000 -25.6965 14.0228 -35.6729 16.3826 14.4063 6.56935 -33.9886 8.87396 45.2412 TIMING: 3205000 CPU: 9651.39, 0.00299955/step Wall: 9651.39, 0.00299955/step, 1.49561 hours remaining, 208.429688 MB of memory in use. ENERGY: 3205000 755.9195 2056.6683 1974.4742 126.5278 -206006.3532 17800.8044 0.0000 0.0000 34214.8884 -149077.0705 298.8071 -183291.9589 -148982.3327 299.9380 -114.1323 -81.6365 556488.4755 11.4290 11.3170 PRESSURE: 3205200 -242.381 51.5393 -134.629 51.5399 -360.996 -176.245 -134.63 -176.243 1.96379 GPRESSURE: 3205200 -229.458 -13.4569 -181.264 71.073 -310.347 -146.359 -125.187 -148.773 36.9327 PRESSAVG: 3205200 -19.6477 2.55959 -30.3705 2.55958 -59.6014 10.1116 -30.3705 10.1116 112.449 GPRESSAVG: 3205200 -20.9954 2.39441 -29.8697 1.46683 -58.5263 11.5314 -29.5824 10.319 112.762 TIMING: 3205200 CPU: 9651.99, 0.00302814/step Wall: 9651.99, 0.00302814/step, 1.5097 hours remaining, 208.429688 MB of memory in use. ENERGY: 3205200 803.0246 2045.5704 1946.8145 114.1937 -205956.8099 17688.7555 0.0000 0.0000 34445.7631 -148912.6881 300.8234 -183358.4512 -148822.1475 299.6840 -200.4710 -167.6241 557942.5345 11.0665 11.0801 PRESSURE: 3205400 170.589 30.623 -22.1024 30.6227 302.566 163.286 -22.1021 163.286 -51.1797 GPRESSURE: 3205400 208.562 142.888 68.8612 -61.34 330.631 103.291 -65.2778 156.493 -25.5034 PRESSAVG: 3205400 -0.717657 8.46847 -23.6998 8.46847 -40.545 -22.416 -23.6998 -22.416 39.629 GPRESSAVG: 3205400 -0.833629 9.83633 -24.1465 7.88439 -41.382 -20.8991 -23.736 -25.1163 40.5751 TIMING: 3205400 CPU: 9652.59, 0.00299027/step Wall: 9652.59, 0.00299027/step, 1.49065 hours remaining, 208.429688 MB of memory in use. ENERGY: 3205400 741.3801 2119.4891 1955.6372 100.9809 -206187.6563 17921.1476 0.0000 0.0000 34215.0047 -149134.0167 298.8081 -183349.0214 -149049.8377 299.6666 140.6587 171.2299 556075.8474 -0.5446 -0.5468 PRESSURE: 3205600 -4.0156 121.256 88.0739 121.257 -125.726 110.083 88.0729 110.083 -18.247 GPRESSURE: 3205600 -3.84224 55.3606 30.8399 96.7649 -72.9495 183.102 127.945 93.3865 4.96267 PRESSAVG: 3205600 -33.2058 20.9943 -11.2025 20.9943 35.9694 79.9961 -11.2025 79.9961 10.3073 GPRESSAVG: 3205600 -32.6091 22.1867 -12.158 21.676 37.5995 78.7232 -10.91 79.3643 8.04533 TIMING: 3205600 CPU: 9653.19, 0.00296758/step Wall: 9653.19, 0.00296758/step, 1.47917 hours remaining, 208.429688 MB of memory in use. ENERGY: 3205600 767.7148 2077.7018 1953.1403 111.3214 -206293.1816 17765.3285 0.0000 0.0000 34531.5849 -149086.3896 301.5729 -183617.9746 -148989.2672 299.5025 -49.3295 -23.9430 558161.6508 4.3570 4.3452 PRESSURE: 3205800 -157.193 87.7573 -5.81225 87.7557 1.36562 139.699 -5.81153 139.699 -49.2463 GPRESSURE: 3205800 -121.594 98.5832 -106.78 66.107 59.7426 142.075 88.3799 76.9611 -43.962 PRESSAVG: 3205800 -29.1447 43.8644 40.846 43.8643 52.6351 34.4315 40.8459 34.4315 -13.7776 GPRESSAVG: 3205800 -29.9108 41.4536 41.7971 45.0153 51.9367 35.3621 41.1855 36.3732 -12.1733 TIMING: 3205800 CPU: 9653.78, 0.00298786/step Wall: 9653.78, 0.00298786/step, 1.48912 hours remaining, 208.429688 MB of memory in use. ENERGY: 3205800 761.0804 2077.5202 1964.2028 117.7838 -205933.6990 17764.3657 0.0000 0.0000 34133.9103 -149114.8359 298.0999 -183248.7462 -149019.8021 299.0380 -68.3580 -35.2711 558045.2242 3.2376 3.2842 PRESSURE: 3206000 257.221 170.012 -252.446 170.011 27.7726 -62.8512 -252.447 -62.8525 111.768 GPRESSURE: 3206000 262.271 205.093 -185.774 127.081 19.5395 -63.3296 -249.352 -51.3013 208.927 PRESSAVG: 3206000 10.7554 21.7552 2.85958 21.7552 -28.2581 30.1206 2.85963 30.1207 -3.08746 GPRESSAVG: 3206000 10.3263 22.8262 1.67305 21.707 -28.0763 28.0256 2.764 32.7786 -2.4758 TIMING: 3206000 CPU: 9654.38, 0.00298741/step Wall: 9654.38, 0.00298741/step, 1.48872 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: 3206000 772.6760 2075.5143 1973.6287 114.9469 -206431.2966 18145.5505 0.0000 0.0000 34315.2344 -149033.7458 299.6835 -183348.9802 -148945.1888 299.6897 132.2541 163.5793 557896.0561 -6.8634 -6.7419 PRESSURE: 3206200 29.9828 -29.514 -66.1173 -29.5135 -276.792 46.4533 -66.1163 46.4528 -6.89759 GPRESSURE: 3206200 0.471023 -53.454 68.5465 30.5771 -240.316 3.36857 -230.482 60.3957 79.752 PRESSAVG: 3206200 5.77533 -26.5794 11.6376 -26.5793 -25.7218 -11.5846 11.6375 -11.5846 29.4348 GPRESSAVG: 3206200 5.69362 -27.7922 13.9436 -26.1495 -26.1258 -12.0449 10.1364 -13.528 29.7305 TIMING: 3206200 CPU: 9654.97, 0.00296587/step Wall: 9654.97, 0.00296587/step, 1.47783 hours remaining, 208.429688 MB of memory in use. ENERGY: 3206200 784.3677 2125.6899 1941.8435 120.0664 -205935.5820 17688.4290 0.0000 0.0000 34196.6533 -149078.5322 298.6479 -183275.1855 -148981.6582 299.6659 -84.5689 -53.3642 558633.9826 3.1628 3.0994 PRESSURE: 3206400 -47.5089 -8.45815 -10.1239 -8.45805 -148.408 57.7452 -10.1241 57.7467 144.693 GPRESSURE: 3206400 -25.0841 12.9145 39.4205 -47.6343 -84.2125 79.4787 9.99307 58.0946 147.79 PRESSAVG: 3206400 -27.4395 21.7681 -26.9457 21.768 20.6358 30.3025 -26.9456 30.3025 19.9478 GPRESSAVG: 3206400 -27.0688 24.3604 -30.5187 19.9121 20.6045 31.5728 -26.6027 29.9132 19.51 TIMING: 3206400 CPU: 9655.57, 0.00298979/step Wall: 9655.57, 0.00298979/step, 1.48958 hours remaining, 208.429688 MB of memory in use. ENERGY: 3206400 785.1389 2088.7166 1911.3703 125.9864 -206374.0718 17870.3585 0.0000 0.0000 34385.7020 -149206.7990 300.2989 -183592.5010 -149098.3779 298.9322 -17.0748 12.8312 557300.7694 4.3814 4.3485 PRESSURE: 3206600 -169.412 -20.2726 -54.5988 -20.2736 69.6188 -27.2167 -54.5982 -27.2169 71.6283 GPRESSURE: 3206600 -123.73 -36.4324 -48.4016 -1.22786 78.8661 47.6179 -59.3527 -41.6568 104.635 PRESSAVG: 3206600 9.09357 4.91851 14.0225 4.9186 71.8361 20.727 14.0225 20.7272 -93.9509 GPRESSAVG: 3206600 10.007 5.53508 17.2908 5.20793 70.6633 21.6896 12.3278 21.7031 -93.859 TIMING: 3206600 CPU: 9656.18, 0.00303349/step Wall: 9656.18, 0.00303349/step, 1.51118 hours remaining, 208.429688 MB of memory in use. ENERGY: 3206600 740.4486 2103.1458 1945.8410 111.5416 -206135.2699 17736.6557 0.0000 0.0000 34578.6041 -148919.0330 301.9835 -183497.6371 -148831.2821 299.5217 -9.3884 19.9238 558383.1927 -4.3404 -4.3963 PRESSURE: 3206800 48.7481 -203.9 117.373 -203.9 155.926 33.0081 117.372 33.007 1.64435 GPRESSURE: 3206800 88.9943 -185.922 39.3583 -134.58 212.853 -52.8606 92.9908 -15.3609 -11.1605 PRESSAVG: 3206800 18.5307 7.29236 -3.16467 7.29224 68.1295 5.67894 -3.16462 5.67893 -36.2193 GPRESSAVG: 3206800 17.7383 5.4027 -3.80944 9.86979 70.0881 4.09901 -2.61975 4.91391 -37.2976 TIMING: 3206800 CPU: 9656.79, 0.00304596/step Wall: 9656.79, 0.00304596/step, 1.51723 hours remaining, 208.429688 MB of memory in use. ENERGY: 3206800 751.8475 2199.8323 1936.5733 108.8321 -206182.0922 17943.2393 0.0000 0.0000 34260.0175 -148981.7501 299.2013 -183241.7677 -148888.0943 299.9636 68.7727 96.8955 558049.7177 16.8136 16.8429 PRESSURE: 3207000 84.3707 60.2427 189.647 60.242 25.1695 75.9345 189.647 75.9337 -227.909 GPRESSURE: 3207000 140.677 117.127 310.412 -72.9487 6.78041 64.7449 129.708 85.5516 -166.032 PRESSAVG: 3207000 -37.7051 -27.1444 25.6863 -27.1444 105.264 -21.9029 25.6862 -21.9029 -83.9704 GPRESSAVG: 3207000 -37.1086 -26.4055 24.651 -29.7536 103.197 -21.387 26.4979 -20.0472 -82.7511 TIMING: 3207000 CPU: 9657.39, 0.00301142/step Wall: 9657.39, 0.00301142/step, 1.49985 hours remaining, 208.429688 MB of memory in use. ENERGY: 3207000 738.7311 2145.3220 1976.1783 114.1286 -205868.4614 17718.3070 0.0000 0.0000 34457.6988 -148718.0957 300.9277 -183175.7944 -148613.7227 300.4471 -39.4562 -6.1916 559237.7747 -5.4706 -5.5543 PRESSURE: 3207200 36.2848 81.551 -2.28546 81.5521 -52.9403 -10.0789 -2.28431 -10.0795 12.0958 GPRESSURE: 3207200 79.8319 130.392 85.9556 66.2304 23.5451 19.9704 36.8897 -50.9606 0.800787 PRESSAVG: 3207200 3.59298 79.179 -2.82109 79.179 23.3663 30.4747 -2.8211 30.4746 -33.1868 GPRESSAVG: 3207200 3.92652 80.9087 -1.67877 80.653 24.1716 30.9687 -2.69796 30.7161 -34.3091 TIMING: 3207200 CPU: 9657.99, 0.00301205/step Wall: 9657.99, 0.00301205/step, 1.5 hours remaining, 208.429688 MB of memory in use. ENERGY: 3207200 765.4237 2116.1834 1937.1886 104.3020 -206029.8770 17884.0649 0.0000 0.0000 34465.3164 -148757.3980 300.9942 -183222.7144 -148655.8161 301.0110 -1.5199 34.7259 559015.8705 -2.0758 -2.0703 PRESSURE: 3207400 -405.427 30.5372 -51.8034 30.5362 -384.556 185.482 -51.8022 185.481 -182.308 GPRESSURE: 3207400 -406.904 27.8701 2.79688 2.15628 -395.578 124.438 -39.8544 223.305 -83.534 PRESSAVG: 3207400 43.1514 -32.0785 -10.0542 -32.0786 59.9052 -70.2444 -10.0543 -70.2444 -76.98 GPRESSAVG: 3207400 41.4295 -32.2025 -10.2474 -31.9692 60.0055 -69.7481 -11.1394 -70.7565 -75.9354 TIMING: 3207400 CPU: 9658.6, 0.00301495/step Wall: 9658.6, 0.00301495/step, 1.50128 hours remaining, 208.429688 MB of memory in use. ENERGY: 3207400 737.7818 2131.8089 1958.8782 118.7529 -205641.8051 17296.1951 0.0000 0.0000 34404.8231 -148993.5650 300.4659 -183398.3881 -148890.4489 301.1562 -324.0969 -295.3386 558691.2435 8.6922 8.4999 PRESSURE: 3207600 -97.2109 72.3279 -9.74471 72.3283 -285.774 -83.2938 -9.74556 -83.2933 -131.744 GPRESSURE: 3207600 -115.46 95.9212 50.5787 69.7736 -258.003 -165.285 -70.3955 15.1955 -50.559 PRESSAVG: 3207600 -51.1594 40.016 -15.5865 40.016 8.41697 -63.1924 -15.5864 -63.1923 49.6768 GPRESSAVG: 3207600 -50.8343 39.1246 -14.5055 40.6059 9.07195 -63.3203 -14.8684 -63.3108 48.4829 TIMING: 3207600 CPU: 9659.2, 0.00301648/step Wall: 9659.2, 0.00301648/step, 1.50187 hours remaining, 208.429688 MB of memory in use. ENERGY: 3207600 775.9614 2099.2182 1934.6524 108.7439 -205977.1449 17611.3783 0.0000 0.0000 34382.3631 -149064.8275 300.2697 -183447.1906 -148971.0301 300.3328 -171.5762 -141.3408 558727.9286 2.3114 2.2402 PRESSURE: 3207800 71.0198 -8.02866 76.6758 -8.02834 56.4065 17.2909 76.6764 17.2904 -62.6135 GPRESSURE: 3207800 99.6664 -44.0698 10.8736 90.2677 31.3781 -30.5247 169.7 -30.9715 22.0287 PRESSAVG: 3207800 14.6524 -42.7125 78.9731 -42.7126 -52.7227 -43.633 78.9732 -43.633 12.2875 GPRESSAVG: 3207800 15.0702 -42.1514 76.2264 -42.0225 -54.1771 -43.8157 79.348 -45.7292 13.0685 TIMING: 3207800 CPU: 9659.8, 0.00301534/step Wall: 9659.8, 0.00301534/step, 1.50113 hours remaining, 208.429688 MB of memory in use. ENERGY: 3207800 766.4647 2128.7714 1931.5064 121.5345 -206587.5528 18076.7466 0.0000 0.0000 34417.8975 -149144.6317 300.5801 -183562.5292 -149053.9821 299.5924 21.6043 51.0244 557907.1375 -8.5943 -8.6795 PRESSURE: 3208000 85.3401 13.9103 -19.9905 13.9089 112.149 -53.5143 -19.9909 -53.516 150.072 GPRESSURE: 3208000 105.365 79.8221 -35.7821 56.1505 149.552 -45.8313 -53.7725 -63.7723 175.974 PRESSAVG: 3208000 -48.6164 -8.43272 0.775382 -8.43272 38.7525 46.8221 0.775376 46.8222 31.5826 GPRESSAVG: 3208000 -48.4535 -8.36941 2.72755 -8.66087 40.2289 46.2612 -0.36418 48.2392 30.8485 TIMING: 3208000 CPU: 9660.4, 0.00300428/step Wall: 9660.4, 0.00300428/step, 1.49546 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: 3208000 774.8112 2172.4532 1958.0975 113.7706 -206155.7612 17769.0131 0.0000 0.0000 34277.5847 -149090.0310 299.3547 -183367.6156 -148993.9546 299.5180 115.8539 143.6303 557168.9041 7.2396 7.5413 PRESSURE: 3208200 13.0319 62.6928 -143.069 62.6923 70.9834 -43.2727 -143.07 -43.2694 -209.558 GPRESSURE: 3208200 67.5125 100.881 -93.5686 98.4097 65.535 -78.867 -211.673 34.8452 -163.334 PRESSAVG: 3208200 -0.494988 8.28456 14.9821 8.28464 -47.4674 -33.582 14.982 -33.582 36.5242 GPRESSAVG: 3208200 -1.04666 7.62193 13.5043 7.53719 -46.9345 -35.3573 16.924 -31.3933 36.6346 TIMING: 3208200 CPU: 9661, 0.00300335/step Wall: 9661, 0.00300335/step, 1.49483 hours remaining, 208.429688 MB of memory in use. ENERGY: 3208200 738.7766 2164.4274 1936.8490 120.0075 -206271.3337 17746.1145 0.0000 0.0000 34312.5742 -149252.5845 299.6602 -183565.1587 -149155.9796 299.3689 -41.8477 -10.0957 557437.4933 -3.8127 -3.7822 LDB: ============= START OF LOAD BALANCING ============== 9664.52 LDB: ============== END OF LOAD BALANCING =============== 9664.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9664.52 LDB: ============= START OF LOAD BALANCING ============== 9664.82 LDB: Largest compute 4802 load 0.030893 is 26.1% of average load 0.118141 LDB: Average compute 0.001731 is 1.5% of average load 0.118141 LDB: TIME 9664.82 LOAD: AVG 0.118141 MAX 0.205105 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.711 MB LDB: TIME 9664.82 LOAD: AVG 0.118141 MAX 0.205105 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.914 MB LDB: TIME 9664.82 LOAD: AVG 0.118141 MAX 0.205105 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.914 MB LDB: ============== END OF LOAD BALANCING =============== 9664.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9664.83 PRESSURE: 3208400 234.508 127.313 -34.1599 127.313 -97.9197 11.02 -34.1612 11.0191 299.056 GPRESSURE: 3208400 228.226 205.757 -9.90644 76.1812 -42.7549 27.9228 -128.698 65.8378 348.463 PRESSAVG: 3208400 5.40646 53.9219 -28.441 53.922 -4.48963 7.24669 -28.4411 7.24665 -8.48503 GPRESSAVG: 3208400 6.14555 54.2433 -28.4258 52.7691 -4.97635 8.60909 -29.517 5.62276 -9.04793 TIMING: 3208400 CPU: 9661.61, 0.00305326/step Wall: 9661.61, 0.00305326/step, 1.51951 hours remaining, 208.687500 MB of memory in use. ENERGY: 3208400 727.2373 2108.7009 1965.7100 114.2009 -206477.3894 18052.0345 0.0000 0.0000 34279.3255 -149230.1803 299.3699 -183509.5058 -149134.9238 298.8681 145.2148 177.9779 557869.4742 -2.5227 -2.6262 PRESSURE: 3208600 -36.1724 -73.0791 89.5905 -73.0784 -50.2992 100.228 89.5905 100.227 159.241 GPRESSURE: 3208600 11.3943 24.6018 111.067 -133.812 -67.7831 13.573 102.458 54.4061 226.076 PRESSAVG: 3208600 43.6287 -0.646013 9.22482 -0.645916 36.3682 7.0419 9.22496 7.04189 -19.6787 GPRESSAVG: 3208600 43.8168 1.42077 10.9742 -1.59424 35.5999 8.4703 8.39306 7.25931 -18.6126 TIMING: 3208600 CPU: 9662.21, 0.00297183/step Wall: 9662.21, 0.00297183/step, 1.47881 hours remaining, 208.890625 MB of memory in use. ENERGY: 3208600 706.3899 2185.3677 1934.5875 117.3294 -206136.5667 17879.4490 0.0000 0.0000 34112.5384 -149200.9049 297.9133 -183313.4432 -149104.2610 299.2258 24.2564 56.5624 558344.6078 20.1061 20.2681 PRESSURE: 3208800 6.35205 138.503 109.481 138.501 188.087 -24.1591 109.482 -24.1599 228.583 GPRESSURE: 3208800 36.7924 167.484 109.551 78.6675 204.468 26.9845 131.245 -17.4873 274.965 PRESSAVG: 3208800 -47.6293 13.0961 -11.5542 13.0961 83.9461 4.76103 -11.5542 4.7612 -11.4303 GPRESSAVG: 3208800 -48.0685 9.71611 -13.2085 14.6143 84.7139 2.97002 -10.1978 4.1353 -11.4859 TIMING: 3208800 CPU: 9662.8, 0.00297296/step Wall: 9662.8, 0.00297296/step, 1.47921 hours remaining, 208.890625 MB of memory in use. ENERGY: 3208800 738.3098 2068.6773 1938.0713 105.0448 -206593.3003 17973.8693 0.0000 0.0000 34337.2314 -149432.0963 299.8756 -183769.3277 -149339.0600 299.4852 141.0073 172.0750 557055.6604 8.2955 8.3865 PRESSURE: 3209000 -190.098 86.1326 -33.713 86.1329 -40.8918 116.813 -33.713 116.812 -221.431 GPRESSURE: 3209000 -191.774 83.5661 -113.136 39.9311 -5.67503 128.246 -97.5182 158.718 -169.157 PRESSAVG: 3209000 -78.6633 -19.5969 17.3665 -19.5969 78.5833 -45.4197 17.3664 -45.4197 -32.4244 GPRESSAVG: 3209000 -79.4427 -18.6654 18.4211 -20.2696 79.8197 -43.4119 16.0873 -45.1821 -33.1919 TIMING: 3209000 CPU: 9663.4, 0.00300894/step Wall: 9663.4, 0.00300894/step, 1.49695 hours remaining, 208.890625 MB of memory in use. ENERGY: 3209000 743.5405 2040.2047 1950.8290 118.2849 -206256.5646 17740.5857 0.0000 0.0000 34262.0033 -149401.1165 299.2186 -183663.1198 -149304.4167 298.6494 -150.8068 -122.2022 558745.6477 -10.8348 -10.9383 PRESSURE: 3209200 193.821 -123.761 98.4815 -123.762 -141.461 -110.027 98.4802 -110.027 -99.9178 GPRESSURE: 3209200 223.166 -177.924 99.8895 -76.0546 -109.874 -52.806 84.2428 -196.436 -66.3141 PRESSAVG: 3209200 53.5969 -2.32233 65.3807 -2.3223 -16.0445 -40.7709 65.3808 -40.7709 -83.7254 GPRESSAVG: 3209200 54.7291 -5.20639 67.2819 -1.27781 -18.436 -40.0214 66.7703 -40.1123 -82.7761 TIMING: 3209200 CPU: 9664, 0.00299184/step Wall: 9664, 0.00299184/step, 1.48827 hours remaining, 208.890625 MB of memory in use. ENERGY: 3209200 800.2282 2098.6452 1959.1040 117.9311 -206291.9703 17751.4405 0.0000 0.0000 34093.1218 -149471.4994 297.7437 -183564.6212 -149373.3111 298.4250 -15.8523 15.6595 556853.8396 -15.3910 -15.4943 PRESSURE: 3209400 -160.557 106.182 113.757 106.183 22.109 -56.2442 113.758 -56.2427 109.126 GPRESSURE: 3209400 -154.613 79.3556 98.3568 165.644 125.568 -158.267 84.521 -54.3777 98.3606 PRESSAVG: 3209400 5.23271 20.3461 13.6145 20.3462 6.14847 -25.2099 13.6144 -25.2099 -26.2351 GPRESSAVG: 3209400 3.56658 23.1596 12.4035 20.249 7.70541 -27.5791 11.8312 -24.3963 -26.262 TIMING: 3209400 CPU: 9664.6, 0.00298998/step Wall: 9664.6, 0.00298998/step, 1.48718 hours remaining, 208.890625 MB of memory in use. ENERGY: 3209400 725.9044 2063.2242 1923.0954 114.3817 -206345.5561 17720.6145 0.0000 0.0000 34273.5880 -149524.7480 299.3198 -183798.3360 -149425.7598 298.5714 -9.7741 23.1050 556561.9775 -4.9513 -4.9967 PRESSURE: 3209600 -133.237 -182.625 -90.8557 -182.623 -318.429 -192.868 -90.8558 -192.868 158.606 GPRESSURE: 3209600 -118.147 -169.237 -89.885 -176.557 -220.272 -108.593 -173.266 -164.911 133.138 PRESSAVG: 3209600 79.485 16.8867 5.83679 16.8866 -50.6494 -66.3624 5.83679 -66.3624 -39.4912 GPRESSAVG: 3209600 79.9033 15.2928 6.21226 18.6247 -50.1999 -66.0118 5.38515 -66.7173 -40.3078 TIMING: 3209600 CPU: 9665.2, 0.00298399/step Wall: 9665.2, 0.00298399/step, 1.48404 hours remaining, 208.890625 MB of memory in use. ENERGY: 3209600 758.1001 2080.4816 1928.4164 118.5334 -206327.7166 17808.1199 0.0000 0.0000 34173.9969 -149460.0684 298.4500 -183634.0653 -149365.1993 298.8922 -97.6867 -68.4271 558157.4478 -3.5519 -3.5348 PRESSURE: 3209800 80.8417 22.8769 104.982 22.8766 237.363 -10.3777 104.983 -10.3789 -234.339 GPRESSURE: 3209800 114.579 0.177617 97.7262 -12.3374 304.45 53.8724 80.3953 -81.4328 -250.093 PRESSAVG: 3209800 32.4735 29.6839 -1.56375 29.6839 -10.386 -14.9011 -1.5637 -14.9011 26.279 GPRESSAVG: 3209800 31.9754 31.4108 -2.66714 26.9275 -11.4295 -15.1365 -0.640967 -13.8577 27.5468 TIMING: 3209800 CPU: 9665.79, 0.00297925/step Wall: 9665.79, 0.00297925/step, 1.48151 hours remaining, 208.890625 MB of memory in use. ENERGY: 3209800 753.8808 2114.8361 1935.4012 120.1182 -206747.8252 17945.4848 0.0000 0.0000 34261.8427 -149616.2614 299.2172 -183878.1042 -149514.1139 299.1312 27.9553 56.3120 555443.6423 16.1222 16.0309 PRESSURE: 3210000 -230.815 -160.521 73.7717 -160.522 -9.42139 -10.3087 73.7722 -10.3094 22.3354 GPRESSURE: 3210000 -161.086 -139.262 30.9736 -182.243 52.3624 0.0865587 41.2912 35.6317 -9.2011 PRESSAVG: 3210000 -33.2393 -47.3028 19.1471 -47.3028 -10.4757 22.3837 19.1471 22.3837 -16.8451 GPRESSAVG: 3210000 -33.1457 -46.9163 18.338 -47.8896 -10.9253 24.3772 19.2917 21.3046 -16.4711 TIMING: 3210000 CPU: 9666.39, 0.00298657/step Wall: 9666.39, 0.00298657/step, 1.48499 hours remaining, 208.890625 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: 3210000 777.2886 2045.1694 1942.4920 114.8410 -206449.6093 17796.5342 0.0000 0.0000 34240.4017 -149532.8824 299.0299 -183773.2841 -149443.4849 298.5841 -72.6335 -39.3081 555774.0204 -20.1867 -20.1807 PRESSURE: 3210200 121.533 71.8802 -61.6091 71.8781 45.2038 -36.8691 -61.608 -36.8683 137.164 GPRESSURE: 3210200 127.538 60.6348 -18.5943 13.2077 97.768 -90.5585 -93.2992 37.5815 175.268 PRESSAVG: 3210200 -56.1892 -22.222 8.97196 -22.222 -6.20225 -39.8635 8.97203 -39.8634 61.3291 GPRESSAVG: 3210200 -56.8124 -22.8274 11.5368 -20.8828 -5.25355 -42.9045 7.66463 -40.4235 60.6404 TIMING: 3210200 CPU: 9667, 0.00303342/step Wall: 9667, 0.00303342/step, 1.50812 hours remaining, 208.890625 MB of memory in use. ENERGY: 3210200 797.0598 2108.3509 1922.5366 107.0193 -207041.4601 18207.1886 0.0000 0.0000 34287.8365 -149611.4684 299.4442 -183899.3049 -149511.5087 298.4295 101.3003 133.5247 555754.9122 -0.3541 -0.4752 PRESSURE: 3210400 -126.365 137.667 168.985 137.668 75.4521 35.1645 168.985 35.1684 -10.3412 GPRESSURE: 3210400 -88.1389 167.665 265.324 28.3079 98.7182 23.4657 115.435 33.6267 35.1121 PRESSAVG: 3210400 -40.2187 -4.03902 -11.1895 -4.03906 -41.2986 -18.8383 -11.1894 -18.8381 89.907 GPRESSAVG: 3210400 -38.9422 -3.68424 -10.4897 -5.05227 -41.9496 -15.0339 -10.9713 -16.9235 89.6387 TIMING: 3210400 CPU: 9667.6, 0.00298728/step Wall: 9667.6, 0.00298728/step, 1.48501 hours remaining, 208.890625 MB of memory in use. ENERGY: 3210400 751.6796 2080.0583 1945.3670 105.9275 -206376.0255 17697.7145 0.0000 0.0000 34270.4378 -149524.8409 299.2923 -183795.2786 -149430.6611 298.8243 -20.4182 15.2305 556588.7170 2.7966 2.9156 PRESSURE: 3210600 252.791 -137.734 -14.6187 -137.733 240.684 -88.9205 -14.6192 -88.9206 -19.5176 GPRESSURE: 3210600 258.799 -166.436 -15.0907 -81.9517 270.134 -93.8215 -24.8335 -2.62327 37.1823 PRESSAVG: 3210600 -38.4438 -18.8083 66.7636 -18.8084 0.547159 44.7512 66.7636 44.7513 28.7997 GPRESSAVG: 3210600 -37.8078 -21.4558 63.5033 -17.1399 0.731606 43.7733 68.3157 44.5275 27.7674 TIMING: 3210600 CPU: 9668.19, 0.00297404/step Wall: 9668.19, 0.00297404/step, 1.47826 hours remaining, 208.890625 MB of memory in use. ENERGY: 3210600 734.0885 2083.6404 1925.0448 115.9581 -206797.5611 18039.2965 0.0000 0.0000 34301.1420 -149598.3908 299.5604 -183899.5328 -149504.5758 298.8751 157.9857 188.7052 556140.5457 -3.0323 -3.1030 PRESSURE: 3210800 -222.808 -98.5117 77.8851 -98.5109 -424.741 -25.6728 77.8844 -25.6738 238.606 GPRESSURE: 3210800 -145.479 -71.4224 78.529 -129.312 -384.983 16.8885 -24.1525 32.5259 217.887 PRESSAVG: 3210800 -49.475 -7.82895 61.9959 -7.82893 15.5883 -6.76629 61.9959 -6.76623 53.1929 GPRESSAVG: 3210800 -50.1427 -7.45794 62.1978 -7.49049 15.4129 -5.81114 60.4933 -7.06243 54.0914 TIMING: 3210800 CPU: 9668.79, 0.00298395/step Wall: 9668.79, 0.00298395/step, 1.48302 hours remaining, 208.890625 MB of memory in use. ENERGY: 3210800 776.7665 2084.1778 1956.7112 122.6691 -206107.3280 17577.1606 0.0000 0.0000 34155.0494 -149434.7934 298.2845 -183589.8428 -149329.5932 298.4462 -136.3143 -104.1919 556772.3532 6.4354 6.4538 PRESSURE: 3211000 -85.1031 -1.72608 194.632 -1.72663 40.3278 -29.8196 194.633 -29.819 -6.64262 GPRESSURE: 3211000 -63.0865 71.2732 204.043 -28.291 109.661 -1.44847 227.147 -0.954471 -2.36747 PRESSAVG: 3211000 -42.1103 6.24677 63.7291 6.24691 -47.2067 16.931 63.7289 16.9309 64.0008 GPRESSAVG: 3211000 -40.4264 4.13798 64.4778 6.09842 -47.9409 14.8251 62.6182 17.1491 63.3897 TIMING: 3211000 CPU: 9669.38, 0.002951/step Wall: 9669.38, 0.002951/step, 1.46648 hours remaining, 208.890625 MB of memory in use. ENERGY: 3211000 713.3874 2091.7628 1958.2702 105.9834 -206147.7184 17750.9519 0.0000 0.0000 33917.0265 -149610.3361 296.2058 -183527.3626 -149517.0899 298.0335 -17.1393 14.7356 556622.0201 -8.4388 -8.3259 PRESSURE: 3211200 -97.4403 -105.363 88.7116 -105.363 -66.0668 75.0513 88.7114 75.0516 -98.9231 GPRESSURE: 3211200 -68.1052 -27.0336 45.7565 -132.46 -12.2334 15.9896 94.8783 188.9 -70.5363 PRESSAVG: 3211200 7.00324 -7.97838 6.80464 -7.97843 25.5458 14.6272 6.80461 14.6272 -18.317 GPRESSAVG: 3211200 5.23283 -7.54712 5.18019 -6.5094 26.2072 13.6941 8.75044 14.1177 -17.3345 TIMING: 3211200 CPU: 9669.97, 0.00298892/step Wall: 9669.97, 0.00298892/step, 1.48516 hours remaining, 208.890625 MB of memory in use. ENERGY: 3211200 749.2619 2077.2124 1962.4686 113.2736 -206653.6919 17797.1681 0.0000 0.0000 34157.1532 -149797.1541 298.3029 -183954.3073 -149697.8320 297.2946 -87.4767 -50.2916 556761.2201 4.7440 4.7018 PRESSURE: 3211400 -10.1884 35.1289 0.538743 35.1293 -179.196 -8.33111 0.538984 -8.32971 -41.1279 GPRESSURE: 3211400 41.6469 117.334 51.0809 58.6138 -128.755 9.27824 20.7574 -44.2476 -29.4964 PRESSAVG: 3211400 88.2916 22.58 33.7177 22.58 -99.511 24.1617 33.7177 24.1617 -6.00768 GPRESSAVG: 3211400 89.6145 24.5781 33.7638 20.7278 -100.387 26.5915 32.1896 25.7002 -6.62329 TIMING: 3211400 CPU: 9670.58, 0.00303201/step Wall: 9670.58, 0.00303201/step, 1.5064 hours remaining, 208.890625 MB of memory in use. ENERGY: 3211400 749.4083 2083.7908 1940.6382 127.1873 -206251.0949 17683.6901 0.0000 0.0000 34125.5131 -149540.8670 298.0266 -183666.3801 -149439.9282 297.9562 -76.8373 -38.8682 557121.8703 -5.7424 -5.7987 PRESSURE: 3211600 114.091 -6.79463 -132.343 -6.79582 52.2102 -102.464 -132.345 -102.465 -48.8023 GPRESSURE: 3211600 160.347 2.97908 -208.121 0.131638 84.9759 -192.277 -85.5248 -58.6006 -51.955 PRESSAVG: 3211600 55.9434 5.15856 -35.9694 5.15845 -42.0145 -15.4377 -35.9694 -15.4377 7.26993 GPRESSAVG: 3211600 54.6124 4.75177 -36.9151 4.59256 -42.0643 -15.8267 -34.4147 -17.0395 8.7566 TIMING: 3211600 CPU: 9671.18, 0.00301593/step Wall: 9671.18, 0.00301593/step, 1.49825 hours remaining, 208.890625 MB of memory in use. ENERGY: 3211600 746.4806 2147.9459 1946.3947 104.5763 -206542.0169 17795.1059 0.0000 0.0000 34099.7027 -149701.8109 297.8012 -183801.5135 -149599.9883 298.4763 39.1663 64.4560 554914.3986 7.0663 7.1015 PRESSURE: 3211800 312.218 -28.4104 -160.834 -28.411 -86.3292 33.5066 -160.833 33.5057 60.7658 GPRESSURE: 3211800 358.356 -45.3028 -152.694 -91.5972 -72.2047 49.0124 -144.63 1.27554 87.4738 PRESSAVG: 3211800 35.4506 -26.3272 8.51343 -26.3271 -41.4573 60.8364 8.51342 60.8364 4.63201 GPRESSAVG: 3211800 36.8869 -26.9829 11.4929 -25.1547 -40.2665 60.3148 6.68302 60.5725 2.32106 TIMING: 3211800 CPU: 9671.79, 0.00303429/step Wall: 9671.79, 0.00303429/step, 1.5072 hours remaining, 208.890625 MB of memory in use. ENERGY: 3211800 752.9952 2093.9084 1954.1843 103.4783 -206748.5398 17949.9472 0.0000 0.0000 34166.4132 -149727.6131 298.3838 -183894.0263 -149637.5597 297.7442 95.5515 124.5418 555495.0339 -0.4582 -0.3529 PRESSURE: 3212000 -188.845 -49.2055 -88.6797 -49.2059 -69.0776 41.5053 -88.6792 41.5065 -1.1486 GPRESSURE: 3212000 -151.742 41.3887 -68.4434 16.1096 -28.1104 48.3488 20.5484 36.8778 28.5585 PRESSAVG: 3212000 53.6345 -37.9303 -4.18519 -37.9304 -63.7672 -7.91288 -4.1851 -7.91282 60.8192 GPRESSAVG: 3212000 53.6099 -35.1041 -3.07296 -39.3316 -63.6898 -8.16637 -2.8066 -6.57012 60.6199 TIMING: 3212000 CPU: 9672.4, 0.00303106/step Wall: 9672.4, 0.00303106/step, 1.50542 hours remaining, 208.890625 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: 3212000 741.5790 2076.7691 1952.9287 119.1894 -206103.2218 17552.8761 0.0000 0.0000 33935.9145 -149723.9650 296.3708 -183659.8795 -149628.0522 298.1642 -86.3570 -50.4314 556410.1476 16.8955 16.8467 PRESSURE: 3212200 -234.343 -118.768 53.4693 -118.767 9.31711 32.0461 53.4694 32.0463 -106.141 GPRESSURE: 3212200 -246 -192.143 5.78935 12.9861 36.8766 77.1213 76.9682 -2.42235 -16.6464 PRESSAVG: 3212200 1.57836 -12.8424 18.0571 -12.8424 7.41802 86.1796 18.0571 86.1798 50.5507 GPRESSAVG: 3212200 0.775408 -13.6552 12.6112 -12.8601 6.25899 87.4165 19.7542 86.5862 52.6297 TIMING: 3212200 CPU: 9673, 0.00303149/step Wall: 9673, 0.00303149/step, 1.50547 hours remaining, 208.890625 MB of memory in use. ENERGY: 3212200 726.7683 2030.2407 1936.3803 104.0129 -206363.8364 17703.9233 0.0000 0.0000 34055.0457 -149807.4652 297.4112 -183862.5109 -149707.7706 297.8517 -110.3888 -75.2567 555851.1724 19.8490 19.8880 LDB: ============= START OF LOAD BALANCING ============== 9676.52 LDB: ============== END OF LOAD BALANCING =============== 9676.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9676.52 LDB: ============= START OF LOAD BALANCING ============== 9676.82 LDB: Largest compute 4802 load 0.030803 is 26.1% of average load 0.118062 LDB: Average compute 0.001733 is 1.5% of average load 0.118062 LDB: TIME 9676.83 LOAD: AVG 0.118062 MAX 0.206459 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.43 MB LDB: TIME 9676.83 LOAD: AVG 0.118062 MAX 0.206459 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: TIME 9676.83 LOAD: AVG 0.118062 MAX 0.206459 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: ============== END OF LOAD BALANCING =============== 9676.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9676.83 PRESSURE: 3212400 -280.822 -105.879 68.9927 -105.879 -37.0203 105.688 68.9946 105.688 -436.616 GPRESSURE: 3212400 -210.017 -158.057 86.209 -121.323 -1.76895 89.0603 86.9004 135.956 -451.317 PRESSAVG: 3212400 31.5857 22.9695 24.1479 22.9695 -39.4767 19.9648 24.148 19.9649 9.56487 GPRESSAVG: 3212400 31.3302 23.1815 25.6385 22.8625 -38.1929 19.0165 22.9194 19.6987 8.31575 TIMING: 3212400 CPU: 9673.62, 0.00305804/step Wall: 9673.62, 0.00305804/step, 1.51848 hours remaining, 209.507812 MB of memory in use. ENERGY: 3212400 785.0227 2099.2076 1939.2698 118.2968 -206149.5196 17496.9411 0.0000 0.0000 34029.2956 -149681.4860 297.1863 -183710.7816 -149597.2176 297.9231 -251.4861 -221.0345 557545.6667 0.5579 0.4844 PRESSURE: 3212600 -32.5489 -74.8959 -95.2339 -74.895 0.997495 -69.879 -95.2337 -69.8794 179.725 GPRESSURE: 3212600 11.3043 -139.072 -136.253 14.677 46.8958 -53.7341 -63.2976 1.54171 173.932 PRESSAVG: 3212600 -27.7451 -0.871886 13.5086 -0.871918 3.90289 -52.6424 13.5087 -52.6423 -4.77061 GPRESSAVG: 3212600 -27.5519 -0.194015 14.3661 -1.78846 3.33636 -51.4787 14.0173 -52.6557 -5.02265 TIMING: 3212600 CPU: 9674.21, 0.0029793/step Wall: 9674.21, 0.0029793/step, 1.47922 hours remaining, 209.710938 MB of memory in use. ENERGY: 3212600 738.7811 2059.9935 1924.8411 100.3639 -206749.0464 18111.7544 0.0000 0.0000 34176.7996 -149636.5129 298.4745 -183813.3125 -149546.3752 297.9445 49.3913 77.3773 555825.9114 -9.5376 -9.7461 PRESSURE: 3212800 247.293 -78.4356 9.03473 -78.4365 114.461 79.1034 9.03466 79.1034 75.8918 GPRESSURE: 3212800 229.293 -94.6 -38.6351 -37.1271 175.75 135.421 -38.3465 35.9935 119.889 PRESSAVG: 3212800 -21.5177 21.6654 -26.0764 21.6654 7.48719 25.428 -26.0765 25.428 -9.19262 GPRESSAVG: 3212800 -22.6589 20.1096 -26.5282 21.3394 7.99478 26.427 -27.9195 21.6088 -7.59955 TIMING: 3212800 CPU: 9674.8, 0.00296682/step Wall: 9674.8, 0.00296682/step, 1.47286 hours remaining, 209.710938 MB of memory in use. ENERGY: 3212800 730.4697 2099.6220 1920.7288 119.7700 -206799.7910 18077.2895 0.0000 0.0000 34375.6803 -149476.2306 300.2114 -183851.9109 -149378.2290 299.5248 145.8821 174.9775 556729.4908 -7.7410 -7.4212 PRESSURE: 3213000 62.0429 -17.7672 14.9753 -17.7672 -21.5622 -47.4663 14.9761 -47.4649 88.6112 GPRESSURE: 3213000 123.433 -56.7905 114.569 -56.0758 9.58242 -64.2291 -9.66702 -171.44 105.509 PRESSAVG: 3213000 -11.9054 -35.1665 13.2001 -35.1665 77.1804 19.9267 13.2001 19.9267 -115.886 GPRESSAVG: 3213000 -9.63018 -35.9225 13.6501 -34.1455 76.2812 19.1395 13.8142 21.0517 -116.936 TIMING: 3213000 CPU: 9675.4, 0.00295687/step Wall: 9675.4, 0.00295687/step, 1.46776 hours remaining, 209.710938 MB of memory in use. ENERGY: 3213000 765.9024 2061.4310 1965.8805 119.5188 -206376.1612 17937.7486 0.0000 0.0000 33948.6194 -149577.0606 296.4817 -183525.6799 -149481.6874 298.5979 43.0306 79.5084 556199.4020 -16.8705 -16.7618 PRESSURE: 3213200 7.3381 -127.878 92.2455 -127.879 -110.901 241.989 92.2469 241.989 -176.71 GPRESSURE: 3213200 25.7724 -97.0071 128.289 -109.982 -116.843 262.739 79.8671 170.262 -82.2 PRESSAVG: 3213200 41.3005 7.45052 67.969 7.4505 20.0272 -40.8911 67.9689 -40.8911 -54.5657 GPRESSAVG: 3213200 41.252 8.13213 68.9355 7.6625 19.9235 -41.8255 68.6868 -40.4191 -54.5275 TIMING: 3213200 CPU: 9675.99, 0.0029637/step Wall: 9675.99, 0.0029637/step, 1.47098 hours remaining, 209.710938 MB of memory in use. ENERGY: 3213200 764.3284 2096.6729 1937.1159 115.7818 -206404.1125 17799.9965 0.0000 0.0000 34162.4181 -149527.7989 298.3489 -183690.2170 -149436.2410 298.0963 -93.4245 -57.7570 556003.7833 2.2540 2.2160 PRESSURE: 3213400 6.19043 -141.211 -117.264 -141.211 -56.4834 -15.844 -117.263 -15.8449 2.81621 GPRESSURE: 3213400 13.4716 -202.706 -79.9734 -112.992 6.59875 -22.3236 -201.418 0.184539 42.5587 PRESSAVG: 3213400 -27.8027 2.68939 20.3086 2.68945 6.86319 -23.6884 20.3088 -23.6883 38.8227 GPRESSAVG: 3213400 -28.6468 3.57657 20.8339 0.914897 8.62848 -23.5894 17.6979 -21.3054 38.1974 TIMING: 3213400 CPU: 9676.59, 0.00298474/step Wall: 9676.59, 0.00298474/step, 1.48126 hours remaining, 209.710938 MB of memory in use. ENERGY: 3213400 756.7255 2129.5345 1944.4448 104.6366 -206445.4476 17869.7722 0.0000 0.0000 34243.6671 -149396.6670 299.0585 -183640.3341 -149303.4110 298.4923 -15.8256 20.8764 556172.4494 5.9611 6.0597 PRESSURE: 3213600 114.965 82.2897 121.489 82.291 44.0074 15.3514 121.488 15.3504 322.528 GPRESSURE: 3213600 176.291 51.7309 119.551 119.775 109.471 49.9323 181.128 -5.56215 298.618 PRESSAVG: 3213600 47.6034 13.8097 -8.36441 13.8098 -18.2461 39.6395 -8.36435 39.6395 -12.1367 GPRESSAVG: 3213600 49.1634 13.0699 -10.8494 14.4799 -18.4451 41.0012 -5.23959 38.1353 -12.4557 TIMING: 3213600 CPU: 9677.19, 0.0030144/step Wall: 9677.19, 0.0030144/step, 1.49581 hours remaining, 209.710938 MB of memory in use. ENERGY: 3213600 726.7166 2153.5073 1935.3416 102.6302 -206505.7074 18063.0837 0.0000 0.0000 34028.9342 -149495.4939 297.1831 -183524.4281 -149400.9064 298.5716 160.5004 194.7931 556495.3277 5.7402 6.0875 PRESSURE: 3213800 146.861 107.986 217.284 107.986 58.4118 139.09 217.285 139.091 -256.943 GPRESSURE: 3213800 155.413 29.5195 266.765 126.217 68.1153 82.5785 200.541 75.1612 -182.39 PRESSAVG: 3213800 -1.63831 0.1951 47.8186 0.195129 -46.7635 45.2473 47.8185 45.2473 29.3258 GPRESSAVG: 3213800 -1.6793 0.193013 47.3645 0.868664 -48.0025 45.7892 46.1169 44.1553 30.2122 TIMING: 3213800 CPU: 9677.79, 0.00301778/step Wall: 9677.79, 0.00301778/step, 1.49732 hours remaining, 209.710938 MB of memory in use. ENERGY: 3213800 703.1661 2121.8362 1939.0216 102.6765 -206272.7902 17688.5495 0.0000 0.0000 34287.1429 -149430.3974 299.4381 -183717.5403 -149335.2790 298.5683 -17.2234 13.7124 555894.8253 -6.3587 -6.4899 PRESSURE: 3214000 37.6158 -80.2137 3.94385 -80.2129 188.485 94.2764 3.94366 94.2764 70.6213 GPRESSURE: 3214000 87.4173 -41.0546 -7.44436 -120.388 221.829 65.075 10.2406 106.968 94.4566 PRESSAVG: 3214000 77.459 11.6951 -5.16518 11.6952 -16.2593 46.5896 -5.16518 46.5895 -32.0064 GPRESSAVG: 3214000 76.8399 10.9416 -6.30006 12.0506 -16.09 44.2304 -2.43896 47.5815 -31.6682 TIMING: 3214000 CPU: 9678.4, 0.00301525/step Wall: 9678.4, 0.00301525/step, 1.4959 hours remaining, 209.710938 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: 3214000 726.3482 2075.4535 1972.4465 114.0853 -206236.1554 17835.0070 0.0000 0.0000 34165.3455 -149347.4694 298.3745 -183512.8149 -149255.6307 298.4760 98.9072 134.5676 555411.6721 9.7311 9.6939 PRESSURE: 3214200 4.26714 -13.0922 -153.506 -13.0914 -198.176 -83.289 -153.507 -83.2895 22.8589 GPRESSURE: 3214200 26.6059 -38.7719 -114.377 -26.1705 -115.309 -68.0544 -208.094 20.1996 18.2172 PRESSAVG: 3214200 44.7758 -52.6276 -42.8201 -52.6276 -35.2108 27.8201 -42.8202 27.8201 -12.5035 GPRESSAVG: 3214200 45.1175 -51.4041 -42.6234 -53.1193 -34.5696 26.9641 -43.3572 27.9747 -13.5936 TIMING: 3214200 CPU: 9678.99, 0.00298919/step Wall: 9678.99, 0.00298919/step, 1.4828 hours remaining, 209.710938 MB of memory in use. ENERGY: 3214200 716.6848 2040.9161 1965.3897 107.3296 -206412.5667 17908.4115 0.0000 0.0000 34145.9712 -149527.8638 298.2053 -183673.8350 -149435.3365 298.4983 -57.0165 -23.4953 557821.8825 -0.9795 -1.0152 PRESSURE: 3214400 -89.1509 -241.288 -6.21874 -241.288 -46.7594 18.2207 -6.21888 18.2206 -80.2608 GPRESSURE: 3214400 -50.078 -255.542 -18.6679 -277.784 10.8106 -87.0057 54.4373 65.9372 -82.9899 PRESSAVG: 3214400 8.05051 -30.2155 -10.4244 -30.2154 45.6368 15.1753 -10.4245 15.1751 -23.9991 GPRESSAVG: 3214400 7.98533 -30.7066 -9.80755 -29.6422 45.6441 13.4381 -9.76613 17.0192 -24.1891 TIMING: 3214400 CPU: 9679.59, 0.00298791/step Wall: 9679.59, 0.00298791/step, 1.482 hours remaining, 209.710938 MB of memory in use. ENERGY: 3214400 756.6252 2077.4767 1945.8203 115.0373 -206660.9543 17942.1392 0.0000 0.0000 34489.5125 -149334.3432 301.2055 -183823.8557 -149238.4809 298.7504 -72.0570 -40.7524 556672.4167 9.8961 9.8134 PRESSURE: 3214600 -148.26 -97.0851 22.8309 -97.0855 158.75 -149.125 22.8315 -149.125 -273.57 GPRESSURE: 3214600 -118.407 -40.0446 26.9438 -203.503 132.172 -139.048 29.7587 -112.395 -178.951 PRESSAVG: 3214600 -21.6677 -15.3293 20.593 -15.3294 -6.83009 3.95978 20.5929 3.9598 -3.70919 GPRESSAVG: 3214600 -22.0158 -14.604 22.5655 -16.3582 -7.52568 6.23774 18.928 1.54042 -2.67695 TIMING: 3214600 CPU: 9680.19, 0.00298878/step Wall: 9680.19, 0.00298878/step, 1.48227 hours remaining, 209.710938 MB of memory in use. ENERGY: 3214600 743.3529 2151.9729 1946.2727 115.1612 -206252.8801 17777.7934 0.0000 0.0000 34200.3002 -149318.0267 298.6797 -183518.3270 -149226.2541 298.9973 -87.6935 -55.0618 557380.4215 -10.7357 -10.7395 PRESSURE: 3214800 -69.0567 -56.8469 284.892 -56.8477 -107.779 280.896 284.891 280.897 181.233 GPRESSURE: 3214800 25.6818 -15.7839 239.518 -67.1248 -76.8544 225.703 317.694 251.315 155.251 PRESSAVG: 3214800 19.0994 -29.334 65.7956 -29.334 16.9794 32.465 65.7955 32.465 -27.886 GPRESSAVG: 3214800 19.1406 -31.8452 64.6019 -29.3858 16.5729 33.2615 65.8624 30.6108 -27.7084 TIMING: 3214800 CPU: 9680.79, 0.00300757/step Wall: 9680.79, 0.00300757/step, 1.49142 hours remaining, 209.710938 MB of memory in use. ENERGY: 3214800 708.3502 2084.7501 1955.4129 111.1050 -206502.8393 17902.3740 0.0000 0.0000 34218.0189 -149522.8283 298.8345 -183740.8472 -149421.8407 298.7838 1.4657 34.6928 556948.1558 2.7309 2.6684 PRESSURE: 3215000 -99.3943 109.231 57.9234 109.232 -69.5439 58.0375 57.9237 58.0387 25.4 GPRESSURE: 3215000 -64.051 77.4288 28.1601 37.2544 -15.3148 -4.52244 101.491 88.1965 37.2843 PRESSAVG: 3215000 -4.38428 0.633044 76.3379 0.633041 -3.15461 38.6859 76.3378 38.6858 40.7731 GPRESSAVG: 3215000 -4.45922 3.38565 77.1528 1.09094 -2.12953 37.2323 74.542 42.7779 40.4598 TIMING: 3215000 CPU: 9681.39, 0.00300031/step Wall: 9681.39, 0.00300031/step, 1.48766 hours remaining, 209.710938 MB of memory in use. ENERGY: 3215000 751.7519 2086.7853 1920.8289 114.3750 -206158.4332 17683.0159 0.0000 0.0000 34028.6077 -149573.0684 297.1803 -183601.6761 -149479.4795 298.4622 -47.8461 -14.0271 556704.2259 11.0781 11.2904 PRESSURE: 3215200 -109.229 -103.886 -132.285 -103.887 -71.1292 -29.2387 -132.284 -29.2395 92.0322 GPRESSURE: 3215200 -126.394 -56.6128 -173.116 -108.303 4.84807 48.4759 -164.032 -28.161 138.211 PRESSAVG: 3215200 31.1449 18.2473 7.63722 18.2474 0.994587 10.6136 7.63736 10.6136 -26.1514 GPRESSAVG: 3215200 30.725 17.1947 8.7383 19.1738 0.847202 10.639 9.66097 7.44496 -26.4318 TIMING: 3215200 CPU: 9681.99, 0.00299422/step Wall: 9681.99, 0.00299422/step, 1.48447 hours remaining, 209.710938 MB of memory in use. ENERGY: 3215200 750.1889 2053.2167 1936.8364 104.1963 -206370.0978 17856.7598 0.0000 0.0000 34089.6057 -149579.2939 297.7130 -183668.8996 -149482.6031 298.4725 -29.4422 5.5548 558757.2367 1.9960 1.7135 PRESSURE: 3215400 376.588 -54.1589 137.681 -54.159 -7.07892 47.0375 137.68 47.036 -11.3806 GPRESSURE: 3215400 393.386 -23.7613 190.864 -71.2398 1.45779 39.8956 121.824 33.6574 65.7631 PRESSAVG: 3215400 77.3607 4.24128 21.3266 4.24131 15.2853 -0.521776 21.3266 -0.521837 -104.776 GPRESSAVG: 3215400 77.4839 5.28249 20.0295 2.51882 14.5807 -0.346662 20.4544 -0.295865 -104.844 TIMING: 3215400 CPU: 9682.58, 0.00296948/step Wall: 9682.58, 0.00296948/step, 1.47204 hours remaining, 209.710938 MB of memory in use. ENERGY: 3215400 748.2396 2024.0125 1928.3135 112.1275 -206264.5174 18016.2266 0.0000 0.0000 34159.3355 -149276.2622 298.3220 -183435.5978 -149177.1465 298.5147 119.3763 153.5355 559028.9262 -4.0434 -4.2598 PRESSURE: 3215600 18.4313 -50.5399 -61.595 -50.5384 -176.624 -79.0779 -61.5946 -79.0776 18.8687 GPRESSURE: 3215600 43.5571 -127.381 -14.3097 -34.4135 -103.67 1.37168 -76.0836 -96.3426 16.6908 PRESSAVG: 3215600 18.2216 13.0034 8.04605 13.0034 -35.7385 -55.4607 8.04603 -55.4605 48.6556 GPRESSAVG: 3215600 17.7765 13.4823 9.77147 13.3488 -34.94 -54.359 4.21576 -55.6341 48.3447 TIMING: 3215600 CPU: 9683.18, 0.00298551/step Wall: 9683.18, 0.00298551/step, 1.47982 hours remaining, 209.710938 MB of memory in use. ENERGY: 3215600 777.7559 2096.8325 1921.4953 108.1580 -206183.3585 17677.5646 0.0000 0.0000 34373.8684 -149227.6838 300.1955 -183601.5522 -149130.1787 299.7462 -46.4414 -14.4740 556460.9888 10.3796 10.3937 PRESSURE: 3215800 -196.875 -4.61784 73.2121 -4.61914 -296.148 40.5858 73.2122 40.5841 16.2837 GPRESSURE: 3215800 -160.906 -92.412 33.3848 101.449 -266.398 104.066 29.6342 -11.6048 39.5594 PRESSAVG: 3215800 6.55625 -40.8948 22.8293 -40.8948 -51.0304 -35.4166 22.8293 -35.4165 31.4854 GPRESSAVG: 3215800 5.86944 -43.4703 20.3237 -41.4944 -51.102 -36.7066 26.5409 -34.5477 32.0837 TIMING: 3215800 CPU: 9683.77, 0.00296514/step Wall: 9683.77, 0.00296514/step, 1.46956 hours remaining, 209.710938 MB of memory in use. ENERGY: 3215800 726.7279 2025.7315 1939.0601 105.6018 -205892.6960 17461.9668 0.0000 0.0000 34520.0731 -149113.5347 301.4724 -183633.6078 -149014.2015 299.6454 -158.9133 -129.2481 556967.3762 -4.3296 -4.3829 PRESSURE: 3216000 336.541 138.088 -63.9086 138.087 145.695 10.7265 -63.9078 10.7275 102.036 GPRESSURE: 3216000 332.48 110.019 -130.371 163.376 189.399 21.5158 -36.8909 -59.4659 153.281 PRESSAVG: 3216000 19.6991 -29.6994 14.8718 -29.6994 -42.5108 -15.5129 14.8719 -15.5129 29.5765 GPRESSAVG: 3216000 19.1041 -29.2721 16.9608 -27.9742 -41.1996 -17.1241 12.607 -15.2212 29.5121 TIMING: 3216000 CPU: 9684.36, 0.00295556/step Wall: 9684.36, 0.00295556/step, 1.46464 hours remaining, 209.710938 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: 3216000 738.6224 2079.9925 1931.7552 116.0690 -206702.2657 18294.1418 0.0000 0.0000 34179.2048 -149362.4800 298.4955 -183541.6849 -149269.8977 299.3515 194.7573 225.0532 557284.9115 2.2549 2.4722 PRESSURE: 3216200 102.398 -86.4388 114.234 -86.4384 -224.462 14.9899 114.233 14.992 -31.8694 GPRESSURE: 3216200 148.937 -65.8214 -14.3479 36.6346 -179.427 29.1683 115.04 62.1812 -29.378 PRESSAVG: 3216200 -5.59426 12.8397 9.03024 12.8397 -49.7124 48.2265 9.03021 48.2265 34.0667 GPRESSAVG: 3216200 -4.31498 14.3735 6.99945 12.5277 -50.5602 49.2126 11.5796 46.4931 34.0116 TIMING: 3216200 CPU: 9684.95, 0.00295292/step Wall: 9684.95, 0.00295292/step, 1.46317 hours remaining, 209.710938 MB of memory in use. ENERGY: 3216200 720.7067 2135.0228 1954.9946 112.8132 -205863.7662 17497.9769 0.0000 0.0000 34137.1301 -149305.1219 298.1280 -183442.2520 -149210.0036 298.8831 -51.3110 -19.9562 557487.0387 -7.0800 -6.9545 LDB: ============= START OF LOAD BALANCING ============== 9688.47 LDB: ============== END OF LOAD BALANCING =============== 9688.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9688.47 LDB: ============= START OF LOAD BALANCING ============== 9688.77 LDB: Largest compute 4802 load 0.031479 is 26.7% of average load 0.118109 LDB: Average compute 0.001732 is 1.5% of average load 0.118109 LDB: TIME 9688.77 LOAD: AVG 0.118109 MAX 0.207449 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.859 MB LDB: TIME 9688.78 LOAD: AVG 0.118109 MAX 0.207449 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.062 MB LDB: TIME 9688.78 LOAD: AVG 0.118109 MAX 0.207449 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.062 MB LDB: ============== END OF LOAD BALANCING =============== 9688.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9688.78 PRESSURE: 3216400 50.0729 54.2794 -30.0958 54.2802 115.401 82.414 -30.0958 82.4141 -228.167 GPRESSURE: 3216400 37.0599 -45.5403 48.0901 93.7194 121.537 105.815 -18.2579 74.2396 -132.698 PRESSAVG: 3216400 28.5052 -26.3249 -6.88744 -26.3249 -40.6684 19.2638 -6.8874 19.2638 41.763 GPRESSAVG: 3216400 26.9743 -27.0877 -5.80404 -26.3377 -39.923 20.9851 -8.35664 18.6339 42.2497 TIMING: 3216400 CPU: 9685.56, 0.00305278/step Wall: 9685.56, 0.00305278/step, 1.51248 hours remaining, 209.703125 MB of memory in use. ENERGY: 3216400 740.6116 2111.6701 1934.0601 114.5151 -206335.4257 17769.3420 0.0000 0.0000 34333.5702 -149331.6566 299.8436 -183665.2269 -149235.2119 298.7710 -20.8979 8.6330 556993.0724 9.8666 9.7670 PRESSURE: 3216600 -51.7357 -181.992 97.8377 -181.993 38.3526 -101.319 97.8381 -101.319 -213.933 GPRESSURE: 3216600 -23.9807 -107.315 158.606 -249.394 70.7987 -98.4145 18.2586 -76.26 -176.364 PRESSAVG: 3216600 -13.7814 6.42372 1.35591 6.42379 18.0485 -16.1874 1.35587 -16.1873 0.794161 GPRESSAVG: 3216600 -10.8407 6.5808 1.71535 5.51429 16.3149 -17.1838 2.63965 -15.374 -0.45733 TIMING: 3216600 CPU: 9686.17, 0.00300717/step Wall: 9686.17, 0.00300717/step, 1.48972 hours remaining, 209.703125 MB of memory in use. ENERGY: 3216600 757.7963 2078.2461 1950.3837 113.5751 -206118.8335 17719.5891 0.0000 0.0000 34234.1456 -149265.0975 298.9753 -183499.2431 -149170.0608 299.4413 -75.7721 -43.1819 558058.0782 1.6871 1.6723 PRESSURE: 3216800 -42.7459 192.977 -131.967 192.978 -101.846 65.5768 -131.966 65.5766 211.024 GPRESSURE: 3216800 -72.1246 51.7851 -169.02 257.222 1.86564 -15.7357 -79.8583 104.04 226.332 PRESSAVG: 3216800 24.322 1.05628 -19.6223 1.0563 -6.75218 30.7312 -19.6222 30.7313 23.6867 GPRESSAVG: 3216800 22.9327 -0.277509 -21.1436 1.59892 -5.14307 29.3776 -20.5793 33.2928 23.7665 TIMING: 3216800 CPU: 9686.77, 0.00301755/step Wall: 9686.77, 0.00301755/step, 1.49469 hours remaining, 209.703125 MB of memory in use. ENERGY: 3216800 741.5730 2133.6502 1977.3157 101.4242 -206570.2084 18011.9767 0.0000 0.0000 34234.3203 -149369.9483 298.9768 -183604.2686 -149277.4372 299.0161 22.1442 52.0245 558672.7220 13.7522 13.8520 PRESSURE: 3217000 -121.426 40.4129 42.502 40.4136 61.9235 -145.902 42.501 -145.903 133.07 GPRESSURE: 3217000 -86.0196 8.48186 -41.6577 40.8247 86.0818 -113.832 155.614 -106.103 173.608 PRESSAVG: 3217000 9.64759 -11.5434 -10.7381 -11.5434 -53.9908 33.0349 -10.7381 33.035 38.0599 GPRESSAVG: 3217000 10.2561 -10.1429 -8.51916 -10.6296 -55.7788 34.6354 -11.897 31.2514 38.832 TIMING: 3217000 CPU: 9687.37, 0.00299842/step Wall: 9687.37, 0.00299842/step, 1.48505 hours remaining, 209.703125 MB of memory in use. ENERGY: 3217000 728.1001 2090.8393 1929.6161 113.3990 -206503.9573 18045.0508 0.0000 0.0000 34139.5839 -149457.3682 298.1495 -183596.9521 -149359.8543 298.7930 24.5225 57.8902 558795.6903 -2.0944 -2.2302 PRESSURE: 3217200 -304.911 0.377995 17.5129 0.377865 -31.3399 -120.442 17.5127 -120.442 73.8126 GPRESSURE: 3217200 -210.883 -36.0442 -96.7715 18.1469 12.0172 -165.958 51.3838 -128.231 27.9564 PRESSAVG: 3217200 33.7335 8.27025 -70.9508 8.27021 -100.852 -48.7291 -70.9509 -48.7291 23.1404 GPRESSAVG: 3217200 32.2877 9.00057 -72.6533 7.37022 -99.1859 -47.9866 -70.0692 -50.4812 22.924 TIMING: 3217200 CPU: 9687.97, 0.00300473/step Wall: 9687.97, 0.00300473/step, 1.48801 hours remaining, 209.703125 MB of memory in use. ENERGY: 3217200 748.3105 2099.1509 1958.3320 117.1034 -206311.6224 17823.2892 0.0000 0.0000 34058.7583 -149506.6780 297.4436 -183565.4363 -149415.0017 298.1061 -87.4793 -56.9697 558890.7617 -14.6594 -14.6581 PRESSURE: 3217400 -238.617 250.699 -64.3833 250.698 -215.926 -21.608 -64.3838 -21.6078 -108.922 GPRESSURE: 3217400 -233.133 298.132 -21.7044 219.041 -145.781 126.066 -73.4832 -31.0845 -84.744 PRESSAVG: 3217400 -20.5338 35.1433 -11.2217 35.1432 22.7553 -13.4637 -11.2217 -13.4636 -16.2321 GPRESSAVG: 3217400 -20.994 34.8838 -10.7047 33.8363 22.1303 -13.6101 -11.9754 -12.2506 -15.5804 TIMING: 3217400 CPU: 9688.58, 0.0030321/step Wall: 9688.58, 0.0030321/step, 1.5014 hours remaining, 209.703125 MB of memory in use. ENERGY: 3217400 780.6916 2095.3575 1956.1260 106.9532 -206597.0927 18007.8885 0.0000 0.0000 34204.5646 -149445.5113 298.7170 -183650.0759 -149350.9546 298.6733 -187.8217 -154.5525 559616.5886 -4.6702 -4.8147 PRESSURE: 3217600 -139.226 8.2264 -12.9758 8.22705 -36.3901 -13.6087 -12.9764 -13.61 45.7671 GPRESSURE: 3217600 -140.449 5.08733 -103.868 -44.7756 -27.1206 5.64388 67.3801 -66.8656 134.063 PRESSAVG: 3217600 26.1088 19.3225 -15.9297 19.3225 102.399 -11.5615 -15.9297 -11.5615 -95.6393 GPRESSAVG: 3217600 26.1204 18.5954 -16.3902 18.7018 102.282 -13.2991 -15.4863 -10.8823 -95.5706 TIMING: 3217600 CPU: 9689.18, 0.00299044/step Wall: 9689.18, 0.00299044/step, 1.4806 hours remaining, 209.703125 MB of memory in use. ENERGY: 3217600 735.4799 2121.5351 1938.3295 113.7878 -206562.7994 17796.9689 0.0000 0.0000 34516.3073 -149340.3910 301.4395 -183856.6983 -149250.0793 299.0791 -43.2830 -11.1687 556484.8249 10.9562 10.9439 PRESSURE: 3217800 128.457 -202.926 18.0964 -202.926 177.51 -133.072 18.0953 -133.071 81.8759 GPRESSURE: 3217800 144.043 -115.859 110.14 -282.006 170.768 -100.765 -3.11238 -181.111 170.298 PRESSAVG: 3217800 -30.6947 -21.8961 16.4682 -21.8962 5.71266 40.7222 16.4682 40.7224 3.98212 GPRESSAVG: 3217800 -29.774 -21.3363 14.5855 -20.7637 5.88585 42.4985 17.5248 39.3882 3.02941 TIMING: 3217800 CPU: 9689.78, 0.00300867/step Wall: 9689.78, 0.00300867/step, 1.48946 hours remaining, 209.703125 MB of memory in use. ENERGY: 3217800 737.7097 2102.7312 1923.1295 115.4581 -206837.5491 18210.8341 0.0000 0.0000 34216.2282 -149531.4583 298.8188 -183747.6865 -149437.6456 298.8075 129.2810 161.7032 556017.7195 -7.0000 -6.9529 PRESSURE: 3218000 123.58 -162.179 -2.08145 -162.179 -61.7331 -3.2041 -2.08089 -3.20472 -67.4099 GPRESSURE: 3218000 137.841 -117.397 -28.5069 -212.914 -39.2664 -7.7302 65.1756 42.0017 -19.518 PRESSAVG: 3218000 7.9814 -53.1548 21.902 -53.1549 53.5135 -52.6943 21.902 -52.6944 -58.3771 GPRESSAVG: 3218000 8.14695 -53.9174 23.7219 -53.2802 53.1546 -53.8437 21.0957 -51.5116 -58.1917 TIMING: 3218000 CPU: 9690.38, 0.00300061/step Wall: 9690.38, 0.00300061/step, 1.4853 hours remaining, 209.703125 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: 3218000 744.5198 2119.2430 1970.4274 124.4169 -206588.4699 17890.7755 0.0000 0.0000 34309.3830 -149429.7043 299.6324 -183739.0873 -149334.0220 299.0085 -1.8542 26.3521 556856.8419 1.0393 1.0366 PRESSURE: 3218200 -95.9722 59.4119 90.6007 59.4131 -150.88 45.2775 90.6004 45.2783 -326.367 GPRESSURE: 3218200 -129.59 52.3389 -77.4272 51.7302 -81.4535 100.396 191.596 120.997 -272.341 PRESSAVG: 3218200 -59.4671 -6.32115 -16.6653 -6.32113 23.7788 24.8883 -16.6653 24.8884 52.1918 GPRESSAVG: 3218200 -59.7188 -6.39462 -18.9362 -6.07215 23.6421 26.3269 -15.0821 24.7867 52.8326 TIMING: 3218200 CPU: 9690.97, 0.00296712/step Wall: 9690.97, 0.00296713/step, 1.46856 hours remaining, 209.703125 MB of memory in use. ENERGY: 3218200 784.4482 2098.0515 1977.4126 109.0818 -206085.3971 17483.7797 0.0000 0.0000 34419.2367 -149213.3866 300.5918 -183632.6233 -149119.5839 299.9701 -191.0729 -161.1279 556387.3342 5.5011 5.5853 PRESSURE: 3218400 -32.4046 30.2052 -8.94924 30.2056 -304.441 70.8918 -8.94882 70.8923 -124.873 GPRESSURE: 3218400 -13.4615 45.5698 3.48952 39.1769 -256.879 74.2253 -57.9136 93.6601 -79.8778 PRESSAVG: 3218400 -35.1697 -22.7356 3.55408 -22.7356 -9.18789 13.6111 3.55396 13.611 6.75287 GPRESSAVG: 3218400 -35.9223 -22.606 4.44307 -22.1035 -8.77933 11.4351 3.93576 15.0083 6.6014 TIMING: 3218400 CPU: 9691.56, 0.0029727/step Wall: 9691.56, 0.0029727/step, 1.47116 hours remaining, 209.703125 MB of memory in use. ENERGY: 3218400 757.0058 2116.6294 1944.0164 122.5387 -205739.1237 17513.0796 0.0000 0.0000 34371.8132 -148914.0407 300.1776 -183285.8539 -148813.7930 299.4694 -153.9060 -116.7395 557553.8702 -12.5349 -12.7001 PRESSURE: 3218600 -252.996 -58.4936 3.87659 -58.4939 -64.175 20.3663 3.87738 20.3657 -102.278 GPRESSURE: 3218600 -186.921 -107.949 -41.9458 -44.6703 -64.3232 -52.7997 -9.33239 12.9059 -76.8738 PRESSAVG: 3218600 -34.641 21.6776 -16.4338 21.6775 13.8188 47.6767 -16.4338 47.6768 31.6393 GPRESSAVG: 3218600 -33.2375 21.6338 -15.6849 21.4064 14.2413 49.0688 -17.8627 47.9182 29.6594 TIMING: 3218600 CPU: 9692.16, 0.00298701/step Wall: 9692.16, 0.00298701/step, 1.47807 hours remaining, 209.703125 MB of memory in use. ENERGY: 3218600 774.2302 2136.3657 1953.3312 103.6217 -205800.0036 17456.0629 0.0000 0.0000 34512.3863 -148864.0056 301.4053 -183376.3919 -148765.6298 300.6146 -139.8165 -109.3728 558281.8779 3.6057 3.5544 PRESSURE: 3218800 -178.937 -118.556 -252.019 -118.557 -36.2022 -99.5477 -252.018 -99.548 92.4124 GPRESSURE: 3218800 -149.443 -153.015 -279.02 -92.2761 -4.95282 -15.7063 -189.898 -134.375 126.42 PRESSAVG: 3218800 1.1784 -7.82386 25.8929 -7.82386 -13.6483 -21.9878 25.8929 -21.9877 29.6627 GPRESSAVG: 3218800 -0.0445401 -8.58699 25.241 -6.19834 -13.7422 -21.3164 27.8205 -23.7182 30.8805 TIMING: 3218800 CPU: 9692.76, 0.00299157/step Wall: 9692.76, 0.00299157/step, 1.48016 hours remaining, 209.703125 MB of memory in use. ENERGY: 3218800 752.5881 2060.5436 1962.4715 114.6177 -205885.4571 17706.4001 0.0000 0.0000 34378.9938 -148909.8423 300.2403 -183288.8361 -148813.6761 300.9511 -40.9090 -9.3251 557972.4577 5.7309 5.6979 PRESSURE: 3219000 -129.311 46.6606 -85.6349 46.6617 -105.675 -44.874 -85.634 -44.8745 -228.143 GPRESSURE: 3219000 -96.7518 89.0712 -142.537 7.38107 -74.7429 -45.2843 -122.305 -37.8599 -181.87 PRESSAVG: 3219000 -46.8045 -21.7953 -47.4558 -21.7953 -48.0548 -11.9299 -47.4557 -11.9299 76.1452 GPRESSAVG: 3219000 -47.1225 -20.127 -46.546 -22.6536 -47.8607 -10.8919 -48.4443 -12.2595 76.3634 TIMING: 3219000 CPU: 9693.35, 0.0029636/step Wall: 9693.35, 0.0029636/step, 1.46616 hours remaining, 209.703125 MB of memory in use. ENERGY: 3219000 762.6676 2141.0753 1930.2884 102.5146 -205877.5048 17536.6137 0.0000 0.0000 34401.1552 -149003.1900 300.4338 -183404.3452 -148899.0795 300.8469 -154.3763 -117.7882 558944.3185 -6.2380 -6.2066 PRESSURE: 3219200 151.354 -72.0711 144.221 -72.072 -216.842 133.315 144.221 133.314 76.3669 GPRESSURE: 3219200 136.241 -128.661 83.014 -13.9913 -132.973 26.233 61.565 47.1326 106.589 PRESSAVG: 3219200 -35.1375 -67.8395 3.34203 -67.8396 36.1082 41.9295 3.34192 41.9295 34.4485 GPRESSAVG: 3219200 -34.3537 -69.4008 1.36191 -67.8576 34.7681 40.0322 4.46995 41.3749 34.8245 TIMING: 3219200 CPU: 9693.95, 0.00297401/step Wall: 9693.95, 0.00297401/step, 1.47115 hours remaining, 209.703125 MB of memory in use. ENERGY: 3219200 762.0854 2136.0413 1911.1273 111.9704 -206270.3823 18008.1517 0.0000 0.0000 34210.6522 -149130.3539 298.7701 -183341.0061 -149036.2318 300.1703 3.6263 36.6193 557702.8090 11.8064 11.7463 PRESSURE: 3219400 -158.8 -77.6533 25.2761 -77.6542 -69.821 42.9106 25.2767 42.9115 59.4776 GPRESSURE: 3219400 -124.771 -76.7052 -17.2545 -58.9433 -89.0293 0.18303 18.5534 97.3888 147.036 PRESSAVG: 3219400 -15.6323 -17.2386 -49.6549 -17.2387 -37.6237 36.62 -49.6549 36.6199 24.1115 GPRESSAVG: 3219400 -16.0688 -15.7658 -49.8039 -18.5743 -35.8048 37.179 -50.8982 36.5434 23.1189 TIMING: 3219400 CPU: 9694.55, 0.00298613/step Wall: 9694.55, 0.00298613/step, 1.47697 hours remaining, 209.703125 MB of memory in use. ENERGY: 3219400 732.7504 2099.4696 1919.3916 111.6557 -206328.1666 17724.8417 0.0000 0.0000 34283.1918 -149456.8657 299.4036 -183740.0575 -149363.6420 299.6694 -56.3813 -22.2548 556736.8762 -9.7148 -9.5849 PRESSURE: 3219600 -21.7294 -15.6823 -157.328 -15.6828 -20.0351 131.316 -157.328 131.316 -65.0138 GPRESSURE: 3219600 60.1138 87.6774 -128.705 -70.1538 -37.8136 50.3624 -136.37 116.043 -38.9485 PRESSAVG: 3219600 26.8882 -11.2902 0.0100029 -11.2901 -84.7185 9.71366 0.0099968 9.71376 41.8212 GPRESSAVG: 3219600 28.9769 -11.4803 -0.316796 -9.64887 -86.5177 10.2017 0.794771 9.40194 41.5346 TIMING: 3219600 CPU: 9695.14, 0.00295362/step Wall: 9695.14, 0.00295362/step, 1.46073 hours remaining, 209.703125 MB of memory in use. ENERGY: 3219600 756.7941 2094.3915 1937.3924 122.1200 -206271.7585 17821.0355 0.0000 0.0000 34119.6232 -149420.4018 297.9752 -183540.0250 -149325.5493 299.1364 -35.5928 -5.5494 555397.5900 -5.3364 -5.3354 PRESSURE: 3219800 6.0325 -116.186 -181.049 -116.185 -289.578 176.075 -181.048 176.075 233.596 GPRESSURE: 3219800 55.2119 -125.218 -188.547 -135.264 -273.253 198.119 -175.808 255.548 253.227 PRESSAVG: 3219800 20.4144 -16.8818 -28.6213 -16.8818 27.9476 -7.82135 -28.6212 -7.82134 6.55438 GPRESSAVG: 3219800 18.279 -17.0753 -26.6742 -17.6335 29.6058 -7.59761 -29.1798 -6.99797 6.92759 TIMING: 3219800 CPU: 9695.73, 0.0029575/step Wall: 9695.73, 0.0029575/step, 1.46248 hours remaining, 209.703125 MB of memory in use. ENERGY: 3219800 762.2829 2075.4453 1939.0766 116.1967 -206496.0283 17950.9696 0.0000 0.0000 34316.6531 -149335.4040 299.6959 -183652.0572 -149230.4049 299.6001 -16.6499 11.7287 557318.6240 18.3055 18.2708 PRESSURE: 3220000 -171.335 38.4194 169.124 38.4193 36.3895 25.9943 169.124 25.9937 56.0093 GPRESSURE: 3220000 -172.72 87.1691 62.4018 -5.60151 96.7059 5.48001 204.843 -41.7281 82.9243 PRESSAVG: 3220000 4.61043 41.1976 26.5643 41.1976 -49.9563 -21.9008 26.5642 -21.9008 28.0527 GPRESSAVG: 3220000 5.71022 41.1075 24.8673 41.9085 -51.0816 -22.8014 27.2622 -21.6818 27.8649 TIMING: 3220000 CPU: 9696.33, 0.00298815/step Wall: 9696.33, 0.00298815/step, 1.47748 hours remaining, 209.703125 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: 3220000 722.5279 2178.4295 1949.5069 113.3741 -206369.2776 17874.1719 0.0000 0.0000 34239.7630 -149291.5043 299.0244 -183531.2673 -149190.6374 299.2657 -26.3121 2.3036 557714.8902 -5.7644 -5.8355 PRESSURE: 3220200 -65.7844 -47.4824 13.9512 -47.4829 72.6119 116.676 13.952 116.676 -82.9092 GPRESSURE: 3220200 2.0364 -54.3216 9.46403 -2.60448 71.6699 87.3257 81.4151 117.372 -48.9255 PRESSAVG: 3220200 -23.9253 2.04989 27.8849 2.04984 -23.4304 0.993722 27.885 0.993788 12.1455 GPRESSAVG: 3220200 -24.6592 2.59262 28.9349 1.62721 -22.6792 -0.0126265 28.1791 1.92007 11.9273 TIMING: 3220200 CPU: 9696.92, 0.00298287/step Wall: 9696.92, 0.00298287/step, 1.4747 hours remaining, 209.703125 MB of memory in use. ENERGY: 3220200 776.4183 2063.4274 1947.8074 114.6999 -206275.7991 17660.7790 0.0000 0.0000 34395.2738 -149317.3933 300.3825 -183712.6671 -149221.2717 299.4771 -25.3606 8.2603 557025.6532 -11.7367 -11.8037 LDB: ============= START OF LOAD BALANCING ============== 9700.44 LDB: ============== END OF LOAD BALANCING =============== 9700.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9700.44 LDB: ============= START OF LOAD BALANCING ============== 9700.73 LDB: Largest compute 4802 load 0.030718 is 26.0% of average load 0.118121 LDB: Average compute 0.001728 is 1.5% of average load 0.118121 LDB: TIME 9700.74 LOAD: AVG 0.118121 MAX 0.203628 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.289 MB LDB: TIME 9700.74 LOAD: AVG 0.118121 MAX 0.203628 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.324 MB LDB: TIME 9700.74 LOAD: AVG 0.118121 MAX 0.203628 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.324 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9700.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9700.74 PRESSURE: 3220400 -167.745 93.9826 -66.1262 93.9826 -143.777 -56.8013 -66.1264 -56.8015 -252.259 GPRESSURE: 3220400 -100.361 121.892 24.3733 73.4631 -138.813 -76.1182 -159.254 -74.2536 -223.094 PRESSAVG: 3220400 21.3802 5.50677 -49.6907 5.5067 -35.7927 0.466221 -49.6908 0.466141 -15.8342 GPRESSAVG: 3220400 21.9266 3.96202 -47.3894 5.83499 -35.3189 0.750662 -50.4333 0.101607 -16.8981 TIMING: 3220400 CPU: 9697.53, 0.00302476/step Wall: 9697.53, 0.00302476/step, 1.49524 hours remaining, 208.687500 MB of memory in use. ENERGY: 3220400 789.2983 2132.9497 1932.6125 120.3330 -206240.4631 17673.6322 0.0000 0.0000 34119.9766 -149471.6608 297.9782 -183591.6374 -149379.0515 298.1999 -187.9271 -154.0892 558084.6406 -10.0822 -10.0968 PRESSURE: 3220600 -398.845 8.97795 -131.594 8.97764 -344.793 203.848 -131.593 203.848 -347.92 GPRESSURE: 3220600 -370.253 18.7216 -105.329 52.1912 -311.731 126.972 -86.0646 138.087 -315.633 PRESSAVG: 3220600 37.5897 -47.2232 55.1953 -47.2231 -11.8572 5.87206 55.1954 5.87208 -17.7111 GPRESSAVG: 3220600 37.6655 -45.0067 53.3312 -49.8386 -12.1151 5.74866 56.2416 5.57173 -17.366 TIMING: 3220600 CPU: 9698.12, 0.00297788/step Wall: 9698.12, 0.00297788/step, 1.4719 hours remaining, 208.890625 MB of memory in use. ENERGY: 3220600 749.8811 2147.7354 1926.5507 115.1582 -205848.5915 17201.3148 0.0000 0.0000 34038.2162 -149669.7351 297.2642 -183707.9513 -149569.7559 298.1554 -363.8526 -332.5390 558256.8503 2.6738 2.7281 PRESSURE: 3220800 -7.17559 30.2291 -128.13 30.2282 167.313 214.774 -128.13 214.774 -124.003 GPRESSURE: 3220800 -2.67707 -1.10289 -102.625 74.8267 208.099 89.6748 -216.64 181.724 -70.198 PRESSAVG: 3220800 -34.9349 -38.6612 30.4024 -38.6612 25.6589 50.8463 30.4024 50.8463 18.4242 GPRESSAVG: 3220800 -34.9389 -41.5774 29.6436 -36.7142 25.1373 52.4711 28.1747 51.192 18.8057 TIMING: 3220800 CPU: 9698.72, 0.00300663/step Wall: 9698.72, 0.00300663/step, 1.48594 hours remaining, 209.015625 MB of memory in use. ENERGY: 3220800 749.6161 2123.2162 1947.8258 118.8368 -206638.5141 17974.3775 0.0000 0.0000 34142.1008 -149582.5409 298.1715 -183724.6417 -149489.3786 297.8046 12.0447 45.0745 556439.1996 3.0494 3.0013 PRESSURE: 3221000 -189.135 -142.975 53.9171 -142.975 -152.303 8.04289 53.9192 8.04121 -299.312 GPRESSURE: 3221000 -184.316 -79.3934 50.0979 -153.689 -69.9989 -13.7266 61.6941 -9.01715 -277.957 PRESSAVG: 3221000 -119.137 9.55324 -18.6994 9.5532 72.8032 44.508 -18.6994 44.508 18.7154 GPRESSAVG: 3221000 -118.889 10.6707 -16.4545 8.67112 73.4872 42.9346 -18.8101 44.723 18.2299 TIMING: 3221000 CPU: 9699.32, 0.00300458/step Wall: 9699.32, 0.00300458/step, 1.48476 hours remaining, 209.015625 MB of memory in use. ENERGY: 3221000 759.3783 2027.2908 1959.3761 110.2679 -206402.9325 17524.5771 0.0000 0.0000 34267.9400 -149754.1022 299.2704 -184022.0423 -149660.3064 298.7834 -213.5836 -177.4237 555335.5641 -9.2060 -9.0572 PRESSURE: 3221200 -85.5786 -151.215 -120.172 -151.217 -137.213 23.5273 -120.173 23.5269 25.4474 GPRESSURE: 3221200 -50.7968 -113.933 -45.0792 -164.412 -112.076 45.9292 -82.4529 -64.607 64.92 PRESSAVG: 3221200 -37.4431 -8.51105 35.8822 -8.51095 10.0138 -13.1602 35.8823 -13.1602 41.5931 GPRESSAVG: 3221200 -37.8716 -7.21371 37.9028 -7.19537 8.55056 -10.0737 36.7851 -14.0513 43.0572 TIMING: 3221200 CPU: 9699.92, 0.00299352/step Wall: 9699.92, 0.00299352/step, 1.47913 hours remaining, 209.015625 MB of memory in use. ENERGY: 3221200 750.5195 2031.1987 1960.9300 119.5863 -206222.1157 17701.8102 0.0000 0.0000 34166.2171 -149491.8539 298.3821 -183658.0711 -149396.6859 298.5110 -65.7813 -32.6510 557594.1676 4.7213 4.5787 PRESSURE: 3221400 34.6268 70.6325 3.3982 70.6328 -29.2445 72.4207 3.397 72.4204 -61.5895 GPRESSURE: 3221400 48.2857 9.34827 -72.1279 55.5662 -8.65075 70.6084 -51.755 22.4852 -0.35572 PRESSAVG: 3221400 -70.7095 -3.36219 -38.7392 -3.36214 86.0105 46.1105 -38.7391 46.1106 -22.5079 GPRESSAVG: 3221400 -70.8238 -3.92716 -42.0443 -3.6817 86.3834 46.1651 -39.2996 46.3907 -22.8334 TIMING: 3221400 CPU: 9700.52, 0.00298611/step Wall: 9700.52, 0.00298611/step, 1.47531 hours remaining, 209.015625 MB of memory in use. ENERGY: 3221400 746.4871 2117.5666 1948.7599 130.8930 -206849.2991 17994.2190 0.0000 0.0000 34377.1486 -149534.2249 300.2242 -183911.3735 -149428.1606 299.1171 -18.7357 13.0931 557521.6020 -2.4023 -2.4246 PRESSURE: 3221600 -104.235 -165.611 -140.691 -165.612 69.9202 132.087 -140.69 132.088 -228.705 GPRESSURE: 3221600 -55.0145 -135.967 -116.04 -150.371 71.6492 211.547 -236.904 93.858 -179.546 PRESSAVG: 3221600 -97.188 19.214 -46.2089 19.2141 21.1166 19.3063 -46.2088 19.3063 24.9299 GPRESSAVG: 3221600 -97.0428 20.6232 -46.484 16.8436 21.2379 18.7862 -45.374 20.9523 24.5097 TIMING: 3221600 CPU: 9701.12, 0.00297556/step Wall: 9701.12, 0.00297556/step, 1.46993 hours remaining, 209.015625 MB of memory in use. ENERGY: 3221600 748.3739 2048.0643 1960.4865 111.7348 -206218.4581 17651.7893 0.0000 0.0000 34431.8573 -149266.1521 300.7020 -183698.0093 -149169.3469 299.6131 -87.6735 -54.3039 557412.5248 -17.0472 -17.0984 PRESSURE: 3221800 -103.582 -26.9864 -61.1014 -26.9858 -315.168 -7.12956 -61.1016 -7.12895 -152.406 GPRESSURE: 3221800 -110.357 -32.1142 -69.6753 -39.9932 -292.181 20.3065 -51.5784 -98.293 -81.3581 PRESSAVG: 3221800 -31.5787 -14.2713 -37.0889 -14.2714 40.7518 57.3824 -37.0889 57.3824 -13.5431 GPRESSAVG: 3221800 -31.278 -15.4438 -36.8923 -12.0884 41.025 57.2875 -37.2569 55.9517 -13.5473 TIMING: 3221800 CPU: 9701.71, 0.00298511/step Wall: 9701.71, 0.00298511/step, 1.47448 hours remaining, 209.015625 MB of memory in use. ENERGY: 3221800 759.0797 2092.7123 1964.2397 126.2095 -205650.6347 17367.1568 0.0000 0.0000 34136.1401 -149205.0966 298.1194 -183341.2367 -149106.2044 299.3193 -190.3853 -161.2986 556659.9464 -1.4567 -1.2668 PRESSURE: 3222000 -215.45 28.3446 -82.6105 28.3446 -171.287 -116.978 -82.6108 -116.976 -207.747 GPRESSURE: 3222000 -182.002 -40.3476 26.9752 -21.9252 -112.166 -127.661 -122.191 -25.8133 -191.103 PRESSAVG: 3222000 -44.3637 3.69953 -3.09687 3.69956 14.8603 5.08137 -3.09687 5.08129 45.0487 GPRESSAVG: 3222000 -44.0405 3.00576 -3.2076 4.15008 15.8503 3.70974 -1.9417 8.3099 43.968 TIMING: 3222000 CPU: 9702.32, 0.0030183/step Wall: 9702.32, 0.0030183/step, 1.4907 hours remaining, 209.015625 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: 3222000 741.2375 2064.0429 1935.4032 104.2397 -205815.6894 17406.5767 0.0000 0.0000 34435.8795 -149128.3099 300.7371 -183564.1894 -149026.1385 299.2666 -198.1613 -161.7569 557704.3098 5.1818 5.2593 PRESSURE: 3222200 -17.9829 53.246 -100.699 53.247 295.882 147.272 -100.699 147.272 195.435 GPRESSURE: 3222200 52.2197 -21.863 -154.727 59.7726 280.015 137.167 -26.4144 102.113 240.752 PRESSAVG: 3222200 -7.50387 23.2519 -73.9793 23.2519 42.5172 34.2684 -73.9794 34.2684 -30.005 GPRESSAVG: 3222200 -8.75802 21.0259 -71.4899 25.961 42.2138 35.2627 -74.9591 30.1509 -28.3725 TIMING: 3222200 CPU: 9702.92, 0.00304304/step Wall: 9702.92, 0.00304304/step, 1.50276 hours remaining, 209.015625 MB of memory in use. ENERGY: 3222200 777.4480 2127.8861 1928.0786 111.2117 -206188.9464 18003.0717 0.0000 0.0000 34192.5207 -149048.7296 298.6118 -183241.2503 -148956.6601 299.4654 157.7782 190.9953 557579.8479 1.6694 1.6944 PRESSURE: 3222400 -106.669 182.524 -46.3914 182.525 84.6443 30.0453 -46.3926 30.0468 12.2463 GPRESSURE: 3222400 -73.3214 170.966 -37.074 211.019 76.535 -67.9232 -15.4029 -48.2174 73.0453 PRESSAVG: 3222400 -25.3432 24.5264 -21.6655 24.5263 49.7624 -0.910587 -21.6656 -0.910472 1.72117 GPRESSAVG: 3222400 -24.8439 27.7305 -23.823 21.4367 49.7339 -1.36229 -21.1754 1.47391 1.16562 TIMING: 3222400 CPU: 9703.54, 0.00307038/step Wall: 9703.54, 0.00307038/step, 1.51609 hours remaining, 209.015625 MB of memory in use. ENERGY: 3222400 736.6272 2139.6785 1950.4823 104.5232 -206089.2483 17843.3420 0.0000 0.0000 34337.5644 -148977.0307 299.8785 -183314.5951 -148878.6733 300.3162 -3.2594 25.4196 557062.3139 8.7134 8.6852 PRESSURE: 3222600 85.338 59.6197 87.6492 59.6201 -107.073 159.571 87.6499 159.571 -465.074 GPRESSURE: 3222600 72.8459 116.254 107.458 65.1158 -52.7686 85.5825 38.3725 235.038 -411.121 PRESSAVG: 3222600 -31.0623 11.0146 20.978 11.0146 59.7691 21.4258 20.978 21.426 -45.4494 GPRESSAVG: 3222600 -31.9999 8.49758 19.835 13.6731 60.1249 20.9927 20.9895 22.2312 -44.3782 TIMING: 3222600 CPU: 9704.14, 0.00302203/step Wall: 9704.14, 0.00302203/step, 1.49204 hours remaining, 209.015625 MB of memory in use. ENERGY: 3222600 745.3303 2095.6802 1953.4989 101.8238 -205216.0273 17225.4057 0.0000 0.0000 34446.1840 -148648.1044 300.8271 -183094.2884 -148548.0536 300.5397 -162.2696 -130.3478 557406.0315 -5.5809 -5.4177 PRESSURE: 3222800 -212.594 -125.145 -56.3301 -125.144 226.079 135.97 -56.3288 135.971 -222.151 GPRESSURE: 3222800 -156.994 -196.339 -54.9767 -184.575 247.994 177.366 -33.347 177.586 -189.233 PRESSAVG: 3222800 7.63884 -7.21747 16.1173 -7.21752 51.4621 64.2948 16.1173 64.2947 -33.0637 GPRESSAVG: 3222800 9.38004 -5.33093 18.138 -10.4237 49.6771 66.0955 14.9027 61.1526 -33.1069 TIMING: 3222800 CPU: 9704.74, 0.0029998/step Wall: 9704.74, 0.0029998/step, 1.4809 hours remaining, 209.082031 MB of memory in use. ENERGY: 3222800 729.1326 2033.6668 1927.1442 108.6602 -205698.0827 17680.3825 0.0000 0.0000 34592.3128 -148626.7837 302.1033 -183219.0965 -148532.9695 301.0776 -69.5549 -32.7446 558758.9218 8.6791 8.6501 PRESSURE: 3223000 -45.266 -97.6251 10.0575 -97.6244 150.459 154.872 10.057 154.872 -136.006 GPRESSURE: 3223000 -19.9925 -97.2283 -18.2772 -192.718 210.584 56.2332 31.3422 194.087 -129.484 PRESSAVG: 3223000 8.32058 -41.788 -3.16371 -41.788 -8.55137 40.7382 -3.16372 40.7382 -36.4229 GPRESSAVG: 3223000 9.09464 -40.758 -1.75316 -40.5301 -7.27025 40.8564 -4.20804 42.1212 -38.5405 TIMING: 3223000 CPU: 9705.35, 0.00301207/step Wall: 9705.35, 0.00301207/step, 1.48679 hours remaining, 209.082031 MB of memory in use. ENERGY: 3223000 707.6479 2058.7273 1945.4785 113.9436 -205784.2108 17679.0278 0.0000 0.0000 34395.0921 -148884.2936 300.3809 -183279.3857 -148783.2871 300.3714 -10.2711 20.3691 558525.4326 -12.2179 -12.2387 PRESSURE: 3223200 -43.4061 84.4367 64.913 84.4388 153.751 -58.6199 64.9129 -58.6218 49.9795 GPRESSURE: 3223200 -19.9636 27.3331 16.9093 44.0287 218.366 -107.252 62.6976 36.472 66.8461 PRESSAVG: 3223200 2.3681 -33.2014 11.0302 -33.2015 81.0112 43.4869 11.0303 43.4869 -70.4488 GPRESSAVG: 3223200 2.15693 -35.0171 8.7035 -34.5734 82.3922 41.3395 11.7978 44.094 -71.3281 TIMING: 3223200 CPU: 9705.95, 0.00301974/step Wall: 9705.95, 0.00301974/step, 1.49041 hours remaining, 209.082031 MB of memory in use. ENERGY: 3223200 767.1440 2047.7620 1945.9365 112.7972 -206012.1615 17779.2805 0.0000 0.0000 34472.7901 -148886.4513 301.0595 -183359.2414 -148785.6497 299.9122 53.4414 88.4162 558514.0178 4.3102 4.4070 PRESSURE: 3223400 78.3278 39.6944 12.8345 39.6933 113.846 144.011 12.8353 144.012 -156.014 GPRESSURE: 3223400 69.7902 -69.114 25.3289 111.236 140.859 110.923 -39.6765 138.325 -83.065 PRESSAVG: 3223400 9.94396 -18.0945 11.1397 -18.0945 48.8249 17.2347 11.1397 17.2346 -87.9477 GPRESSAVG: 3223400 7.91106 -17.6396 12.4056 -17.6727 46.8654 17.3925 12.2662 15.7157 -83.8383 TIMING: 3223400 CPU: 9706.55, 0.00302214/step Wall: 9706.55, 0.00302214/step, 1.49143 hours remaining, 209.082031 MB of memory in use. ENERGY: 3223400 765.1659 2095.2331 1923.1270 107.3306 -205829.4444 17720.6379 0.0000 0.0000 34136.5022 -149081.4477 298.1226 -183217.9499 -148984.2171 299.6824 12.0530 42.5282 557429.0520 -9.7263 -9.6873 PRESSURE: 3223600 -92.4375 151.198 -137.901 151.198 -139.047 -102.138 -137.901 -102.139 81.2243 GPRESSURE: 3223600 -20.3775 152.916 -120.759 62.5703 -142.948 -137.166 -155.428 -108.556 98.1936 PRESSAVG: 3223600 -0.871946 19.2955 4.73114 19.2955 9.08625 76.8238 4.73105 76.8238 -10.6419 GPRESSAVG: 3223600 -0.246598 23.5222 5.31637 20.6164 10.4077 78.4057 3.84774 76.2481 -13.1108 TIMING: 3223600 CPU: 9707.16, 0.00302648/step Wall: 9707.16, 0.00302648/step, 1.4934 hours remaining, 209.082031 MB of memory in use. ENERGY: 3223600 747.7768 2132.4051 1959.3035 120.2314 -206338.8289 17947.0165 0.0000 0.0000 34130.1881 -149301.9075 298.0674 -183432.0956 -149200.5760 299.1815 -50.0869 -21.7105 558431.1722 -0.8092 -0.9832 PRESSURE: 3223800 305.265 -124.15 -28.1508 -124.15 126.142 156.499 -28.1506 156.5 327.569 GPRESSURE: 3223800 359.946 -149.161 -30.1639 -70.0442 131.339 183.951 5.43202 115.547 359.454 PRESSAVG: 3223800 -91.9534 34.8083 -3.97401 34.8083 59.6599 -7.24584 -3.97409 -7.24594 36.8341 GPRESSAVG: 3223800 -91.9825 31.3101 -3.86256 34.095 58.9391 -10.455 -3.93376 -4.23963 37.6142 TIMING: 3223800 CPU: 9707.76, 0.00298895/step Wall: 9707.76, 0.00298895/step, 1.47471 hours remaining, 209.082031 MB of memory in use. ENERGY: 3223800 751.7084 2055.9948 1934.9398 111.2376 -206872.2962 18273.8392 0.0000 0.0000 34271.3788 -149473.1976 299.3005 -183744.5764 -149374.9620 298.6749 252.9918 283.5798 556471.5941 1.5136 1.5236 PRESSURE: 3224000 18.0211 44.805 109.345 44.8049 -242.235 78.1578 109.345 78.1573 52.8855 GPRESSURE: 3224000 40.5263 118.146 168.8 98.7247 -192.151 116.105 92.7553 -15.8718 79.0278 PRESSAVG: 3224000 -31.5804 11.4198 42.5651 11.4199 -17.9069 48.728 42.5652 48.7281 15.4487 GPRESSAVG: 3224000 -30.1509 12.2308 42.7145 12.0054 -18.1015 50.8978 40.919 46.8396 14.5036 TIMING: 3224000 CPU: 9708.35, 0.00297774/step Wall: 9708.35, 0.00297774/step, 1.46902 hours remaining, 209.082031 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: 3224000 741.0190 2069.1094 1925.3303 120.1194 -206714.8169 17999.8121 0.0000 0.0000 34283.3504 -149576.0763 299.4050 -183859.4267 -149474.0307 298.2852 -57.1096 -24.1988 556536.1713 -11.3462 -11.2496 PRESSURE: 3224200 -231.887 -92.9795 194.558 -92.9804 98.4066 -168.146 194.559 -168.145 -99.0755 GPRESSURE: 3224200 -168.642 -149.764 245.87 -84.2686 89.9194 -70.9234 171.742 -117.718 -56.7202 PRESSAVG: 3224200 -19.8275 -9.78606 28.0938 -9.78608 -18.6756 -13.9617 28.0937 -13.9616 1.90323 GPRESSAVG: 3224200 -20.8591 -10.5248 26.6499 -10.0715 -18.5409 -14.9078 29.4603 -12.969 2.57181 TIMING: 3224200 CPU: 9708.95, 0.00300377/step Wall: 9708.95, 0.00300377/step, 1.48169 hours remaining, 209.082031 MB of memory in use. ENERGY: 3224200 746.6180 2049.2731 1946.8410 105.1959 -206822.1617 18075.5630 0.0000 0.0000 34341.2502 -149557.4207 299.9107 -183898.6709 -149456.1892 298.1939 -77.5187 -45.1477 558828.6316 -12.2000 -12.2760 LDB: ============= START OF LOAD BALANCING ============== 9712.47 LDB: ============== END OF LOAD BALANCING =============== 9712.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9712.47 LDB: ============= START OF LOAD BALANCING ============== 9712.77 LDB: Largest compute 4802 load 0.032186 is 27.2% of average load 0.118212 LDB: Average compute 0.001730 is 1.5% of average load 0.118212 LDB: TIME 9712.78 LOAD: AVG 0.118212 MAX 0.209777 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.84 MB LDB: TIME 9712.78 LOAD: AVG 0.118212 MAX 0.209777 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.84 MB LDB: TIME 9712.78 LOAD: AVG 0.118212 MAX 0.209777 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.84 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9712.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9712.78 PRESSURE: 3224400 -155.901 -1.86033 -55.6699 -1.85988 59.7712 -64.1437 -55.6688 -64.1438 199.675 GPRESSURE: 3224400 -103.139 -37.2395 -24.211 119.038 98.3329 -54.9987 -46.6658 -66.4146 219.272 PRESSAVG: 3224400 19.7838 -3.30788 16.3875 -3.30786 -1.94124 15.9785 16.3876 15.9785 -20.8651 GPRESSAVG: 3224400 20.4212 -2.77413 18.1816 -3.50575 -2.22075 15.307 16.5497 15.2985 -21.2929 TIMING: 3224400 CPU: 9709.57, 0.0030602/step Wall: 9709.57, 0.0030602/step, 1.50936 hours remaining, 210.742188 MB of memory in use. ENERGY: 3224400 763.8950 2054.3820 1920.4112 117.9352 -206237.1093 17825.8750 0.0000 0.0000 34227.9248 -149326.6861 298.9210 -183554.6109 -149222.0889 298.8560 34.5149 71.4889 558702.9932 -1.0075 -1.0308 PRESSURE: 3224600 -32.2173 91.1889 46.1069 91.1894 113.029 145.805 46.1061 145.803 -67.8765 GPRESSURE: 3224600 -16.2339 139.819 38.8479 81.8425 109.558 73.718 3.12544 211.767 11.3312 PRESSAVG: 3224600 -0.962495 -5.95773 -33.0961 -5.95772 -12.254 9.82098 -33.0961 9.82104 4.78797 GPRESSAVG: 3224600 -2.53364 -7.38309 -31.8773 -5.68594 -11.2658 9.18106 -34.4709 9.32389 5.5293 TIMING: 3224600 CPU: 9710.16, 0.00298831/step Wall: 9710.16, 0.00298831/step, 1.47374 hours remaining, 211.000000 MB of memory in use. ENERGY: 3224600 739.3937 2172.0251 1938.4931 106.9961 -206170.6153 17718.3101 0.0000 0.0000 34242.5500 -149252.8472 299.0487 -183495.3972 -149160.0000 299.5583 4.3116 34.8850 558264.2010 -2.8095 -2.7567 PRESSURE: 3224800 317.793 -54.9015 17.2938 -54.9013 51.1858 70.6011 17.294 70.6011 257.98 GPRESSURE: 3224800 355.881 11.8566 33.2964 40.6002 122.753 31.0637 -15.2906 114.054 250.517 PRESSAVG: 3224800 70.9166 0.14051 -18.5121 0.140477 -18.4477 -1.68244 -18.512 -1.68239 -74.5851 GPRESSAVG: 3224800 71.3183 0.543787 -19.3602 -1.58343 -18.6934 -0.392741 -18.1065 -1.95166 -74.1317 TIMING: 3224800 CPU: 9710.77, 0.00301364/step Wall: 9710.77, 0.00301364/step, 1.48606 hours remaining, 211.000000 MB of memory in use. ENERGY: 3224800 773.0564 2102.9873 1955.0683 109.9155 -206611.8791 18132.4615 0.0000 0.0000 34267.3400 -149271.0502 299.2652 -183538.3901 -149176.2433 299.5208 208.9863 243.0501 557417.7615 -7.3721 -7.1689 PRESSURE: 3225000 -262.833 152.52 -180.99 152.52 -46.7234 -1.04969 -180.989 -1.04893 135.282 GPRESSURE: 3225000 -216.358 125.024 -113.515 127.056 -35.3825 -63.2479 -110.047 28.1178 177.758 PRESSAVG: 3225000 8.22531 23.072 -31.9745 23.072 -37.6431 -6.21283 -31.9745 -6.21268 -7.17062 GPRESSAVG: 3225000 9.32936 21.592 -34.2734 25.2138 -37.8311 -6.02828 -32.0724 -5.7818 -8.24414 TIMING: 3225000 CPU: 9711.37, 0.0030091/step Wall: 9711.37, 0.0030091/step, 1.48365 hours remaining, 211.000000 MB of memory in use. ENERGY: 3225000 762.9456 2156.0152 1945.6204 116.5237 -206725.0608 17944.1491 0.0000 0.0000 34317.9195 -149481.8875 299.7069 -183799.8070 -149390.3455 299.0695 -58.0914 -24.6607 557409.9058 -12.1961 -12.2486 PRESSURE: 3225200 -342.905 109.294 -35.3872 109.293 -178.137 98.2443 -35.3865 98.2434 70.3467 GPRESSURE: 3225200 -303.855 63.0923 32.3428 54.2044 -111.123 30.3615 -75.8504 113.335 63.7832 PRESSAVG: 3225200 40.5887 23.4443 33.8406 23.4442 -47.1949 22.5639 33.8406 22.5639 -13.4863 GPRESSAVG: 3225200 39.3134 25.7907 35.5377 19.6939 -46.8803 21.6125 32.2762 22.5039 -12.7856 TIMING: 3225200 CPU: 9711.97, 0.00299905/step Wall: 9711.97, 0.00299905/step, 1.47853 hours remaining, 211.000000 MB of memory in use. ENERGY: 3225200 759.1818 2128.6176 1942.6710 122.4358 -206136.0041 17612.6904 0.0000 0.0000 34182.7959 -149387.6115 298.5269 -183570.4074 -149290.9639 298.1121 -150.2317 -117.0651 559243.0668 -6.6975 -6.7842 PRESSURE: 3225400 -6.24816 117.513 -15.5724 117.514 -47.2754 -149.626 -15.5726 -149.627 -51.1833 GPRESSURE: 3225400 70.3197 45.6055 -91.7083 88.0882 -45.8611 -195.526 33.3901 -129.748 -31.1406 PRESSAVG: 3225400 2.34163 38.4243 -42.1793 38.4244 -19.303 -15.7299 -42.1794 -15.7299 30.3972 GPRESSAVG: 3225400 3.46651 35.9532 -42.5548 41.41 -18.8952 -13.9106 -40.7856 -16.6313 28.6709 TIMING: 3225400 CPU: 9712.57, 0.00303596/step Wall: 9712.57, 0.00303596/step, 1.49656 hours remaining, 211.000000 MB of memory in use. ENERGY: 3225400 746.0163 2056.2507 1973.9126 115.6234 -206187.4633 17849.3760 0.0000 0.0000 34142.5455 -149303.7389 298.1753 -183446.2843 -149205.4794 299.4955 -34.9023 -2.2273 556684.7387 4.4786 4.4141 PRESSURE: 3225600 -185.468 -64.7016 128.484 -64.7018 26.7175 -21.5388 128.485 -21.5388 137.656 GPRESSURE: 3225600 -67.5936 -109.135 150.765 -13.18 14.8616 -107.521 52.9884 -0.566985 131.458 PRESSAVG: 3225600 -56.5987 -28.6216 -29.1244 -28.6217 23.9924 -14.1746 -29.1243 -14.1746 45.5332 GPRESSAVG: 3225600 -55.7879 -24.662 -29.8292 -31.3887 22.3712 -16.0547 -29.4806 -13.2397 46.3795 TIMING: 3225600 CPU: 9713.17, 0.00296198/step Wall: 9713.17, 0.00296198/step, 1.45993 hours remaining, 211.000000 MB of memory in use. ENERGY: 3225600 756.0933 2098.7832 1964.3095 122.3902 -206063.7774 17773.9980 0.0000 0.0000 34084.8838 -149263.3193 297.6718 -183348.2031 -149172.5029 299.0979 -7.0314 26.2421 556726.6905 4.3090 4.3209 PRESSURE: 3225800 160.219 43.7464 62.2269 43.7455 50.7297 -13.4702 62.2278 -13.4727 40.3448 GPRESSURE: 3225800 231.239 -6.86411 107.389 66.1799 73.0752 -84.027 33.2512 -10.7398 41.6225 PRESSAVG: 3225800 -16.8052 -14.6456 39.4147 -14.6455 34.4858 -57.2926 39.4147 -57.2926 -28.1745 GPRESSAVG: 3225800 -17.2367 -16.403 39.6753 -14.3121 35.6116 -57.4519 39.2067 -57.0865 -28.8394 TIMING: 3225800 CPU: 9713.77, 0.00300272/step Wall: 9713.77, 0.00300272/step, 1.47984 hours remaining, 211.000000 MB of memory in use. ENERGY: 3225800 716.4435 2001.8737 1971.3835 106.0048 -206659.1240 18122.5305 0.0000 0.0000 34341.5545 -149399.3333 299.9133 -183740.8879 -149299.8152 299.1644 83.7645 115.3122 557195.8314 -3.4979 -3.4882 PRESSURE: 3226000 274.915 19.6209 93.0948 19.6214 80.6955 70.1212 93.0944 70.121 -14.3016 GPRESSURE: 3226000 318.722 68.997 72.877 -5.72426 75.3064 104.722 28.7061 40.6643 37.9002 PRESSAVG: 3226000 -6.48871 -3.45517 21.2816 -3.45508 33.65 -65.364 21.2816 -65.3641 -4.81439 GPRESSAVG: 3226000 -6.62592 -3.72349 20.0634 -2.68867 32.1274 -64.9778 22.5977 -65.6464 -3.86432 TIMING: 3226000 CPU: 9714.36, 0.00297632/step Wall: 9714.36, 0.00297632/step, 1.46666 hours remaining, 211.070312 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: 3226000 728.6725 2049.8312 1958.5963 121.5264 -206296.9762 18028.5885 0.0000 0.0000 34017.9154 -149391.8459 297.0869 -183409.7613 -149291.8180 298.2496 113.7695 143.9760 557502.9902 7.4490 7.2124 PRESSURE: 3226200 -178.337 -56.2916 -70.5146 -56.291 -174.466 -71.5248 -70.5138 -71.5245 -78.9689 GPRESSURE: 3226200 -172.598 -67.9218 -127.152 55.849 -119.404 -25.7213 -22.5075 -41.0447 -31.9286 PRESSAVG: 3226200 -42.1321 44.4183 29.1194 44.4184 51.1953 -10.0536 29.1194 -10.0538 7.3137 GPRESSAVG: 3226200 -43.8958 45.7858 30.77 45.4006 52.5304 -12.2521 27.7765 -8.10933 7.30244 TIMING: 3226200 CPU: 9714.96, 0.00300277/step Wall: 9714.96, 0.00300277/step, 1.47953 hours remaining, 211.070312 MB of memory in use. ENERGY: 3226200 790.2898 2126.8845 1941.4655 113.6492 -206244.4754 17674.9212 0.0000 0.0000 34365.8050 -149231.4603 300.1251 -183597.2653 -149136.1418 299.5309 -143.9238 -107.9770 559046.5507 5.4590 5.3123 PRESSURE: 3226400 -0.725326 120.412 -99.1919 120.412 -48.2431 129.486 -99.1926 129.486 -84.8521 GPRESSURE: 3226400 28.1554 147.617 -77.4637 108.268 14.5293 55.3643 -124.446 194.161 -104.08 PRESSAVG: 3226400 28.1753 -28.9619 34.247 -28.962 -19.3204 48.0964 34.247 48.0963 -22.7849 GPRESSAVG: 3226400 27.5638 -28.829 34.0546 -31.1598 -19.0729 50.8559 34.1268 46.6691 -22.2352 TIMING: 3226400 CPU: 9715.56, 0.00297412/step Wall: 9715.56, 0.00297412/step, 1.46525 hours remaining, 211.070312 MB of memory in use. ENERGY: 3226400 726.2993 2118.4791 1947.3080 111.5963 -206465.9721 17785.0287 0.0000 0.0000 34302.0473 -149475.2133 299.5683 -183777.2606 -149379.3730 299.2540 -44.6068 -20.4649 558025.8538 -4.6433 -4.5814 PRESSURE: 3226600 382.178 -29.1262 245.061 -29.1253 -99.116 120.351 245.062 120.351 9.18758 GPRESSURE: 3226600 445.357 -2.46085 273.787 -40.1361 -72.2579 175.301 269.805 70.7237 21.7186 PRESSAVG: 3226600 21.2199 -40.344 23.6009 -40.3439 -46.1334 -41.0621 23.6009 -41.0622 -18.6147 GPRESSAVG: 3226600 22.7196 -39.8177 24.992 -38.8307 -46.6094 -42.2351 24.7887 -42.3628 -19.419 TIMING: 3226600 CPU: 9716.15, 0.00297786/step Wall: 9716.15, 0.00297786/step, 1.46693 hours remaining, 211.070312 MB of memory in use. ENERGY: 3226600 721.1460 2099.3468 1958.9667 107.4674 -206648.3817 17952.2473 0.0000 0.0000 34221.6026 -149587.6050 298.8658 -183809.2075 -149492.2833 298.2685 97.4165 131.6061 556193.8738 -14.5094 -14.4363 PRESSURE: 3226800 30.1193 8.51925 53.4152 8.51922 70.4189 60.3581 53.415 60.3587 249.543 GPRESSURE: 3226800 66.6462 -1.73771 100.119 4.68153 107.669 21.6927 -35.6504 137.976 280.346 PRESSAVG: 3226800 10.8683 -21.0388 54.3093 -21.0388 -25.6479 -38.9765 54.3093 -38.9765 39.8728 GPRESSAVG: 3226800 11.9011 -23.2651 52.3355 -20.9528 -25.6361 -38.6351 54.2739 -38.6781 39.2875 TIMING: 3226800 CPU: 9716.75, 0.00298356/step Wall: 9716.75, 0.00298356/step, 1.46957 hours remaining, 211.070312 MB of memory in use. ENERGY: 3226800 755.0763 2102.1363 1949.9446 116.6990 -206849.0699 18044.0663 0.0000 0.0000 34263.1105 -149618.0370 299.2283 -183881.1475 -149523.7198 297.8879 116.6936 151.5537 556322.6400 8.3644 8.5175 PRESSURE: 3227000 -298.552 -203.308 218.712 -203.308 -113.993 -6.41805 218.713 -6.4183 -105.832 GPRESSURE: 3227000 -302.927 -196.63 128.779 -219.636 -55.2864 25.7484 182.712 -61.2254 -72.2169 PRESSAVG: 3227000 -31.091 -40.7313 -13.7448 -40.7312 41.6274 -3.39095 -13.7448 -3.39102 -5.40389 GPRESSAVG: 3227000 -32.8434 -40.962 -12.955 -41.5261 42.2271 -3.11544 -16.2798 -1.90064 -4.53038 TIMING: 3227000 CPU: 9717.35, 0.00300138/step Wall: 9717.35, 0.00300138/step, 1.47818 hours remaining, 211.070312 MB of memory in use. ENERGY: 3227000 731.4878 2080.2359 1959.4615 120.6790 -206136.6138 17488.8825 0.0000 0.0000 34146.1992 -149609.6679 298.2073 -183755.8671 -149515.6624 298.7990 -172.7923 -143.4768 556530.6529 1.7108 1.6178 PRESSURE: 3227200 28.3171 130.583 6.00453 130.582 178.633 35.1323 6.0038 35.1323 -18.8294 GPRESSURE: 3227200 -0.80971 56.6695 -63.2208 141.198 226.667 21.3523 7.20068 4.82803 67.4223 PRESSAVG: 3227200 -10.8098 22.1499 41.1349 22.1498 9.67249 -24.5341 41.135 -24.5343 2.98429 GPRESSAVG: 3227200 -10.5138 21.8517 42.0134 22.973 8.89708 -23.0048 43.0865 -25.5074 3.44213 TIMING: 3227200 CPU: 9717.95, 0.00298512/step Wall: 9717.95, 0.00298512/step, 1.47001 hours remaining, 211.070312 MB of memory in use. ENERGY: 3227200 796.7148 2081.4215 1952.8836 116.2505 -206714.0806 18075.9105 0.0000 0.0000 33968.8544 -149722.0451 296.6585 -183690.8996 -149630.5533 298.3468 62.7068 97.7598 556854.3828 0.6156 0.6085 PRESSURE: 3227400 -178.128 -23.1102 -8.10307 -23.1098 -77.2222 15.6033 -8.10216 15.6024 -261.154 GPRESSURE: 3227400 -160.351 1.52042 -40.7837 -168.835 -29.2933 19.2683 -36.5822 -10.6426 -243.124 PRESSAVG: 3227400 17.7619 -22.995 7.59968 -22.9951 -7.61968 -24.8725 7.59971 -24.8725 -20.0045 GPRESSAVG: 3227400 17.5024 -22.4665 7.41743 -25.4045 -6.31174 -27.4695 6.87201 -22.9073 -21.2232 TIMING: 3227400 CPU: 9718.54, 0.00295709/step Wall: 9718.54, 0.00295709/step, 1.45604 hours remaining, 211.070312 MB of memory in use. ENERGY: 3227400 733.6388 2086.4524 1970.7905 129.4390 -206293.3123 17593.6234 0.0000 0.0000 34115.6331 -149663.7351 297.9403 -183779.3682 -149557.6861 297.6619 -172.1682 -144.2562 556672.0672 -3.2874 -3.3442 PRESSURE: 3227600 88.6153 63.1578 -74.5979 63.1584 -104.419 -344.446 -74.5982 -344.447 -127.788 GPRESSURE: 3227600 101.2 53.3145 -74.263 14.2612 -64.1276 -310.286 -92.7989 -318.321 -82.4198 PRESSAVG: 3227600 77.5729 -10.3648 9.28351 -10.3648 15.4528 6.78745 9.28344 6.78742 -106.274 GPRESSAVG: 3227600 77.9629 -9.97665 7.54199 -7.02464 14.0455 7.82851 10.3353 7.06278 -105.65 TIMING: 3227600 CPU: 9719.14, 0.00299019/step Wall: 9719.14, 0.00299019/step, 1.47217 hours remaining, 211.070312 MB of memory in use. ENERGY: 3227600 734.2746 2037.3217 1937.3183 108.3158 -206013.6373 17646.8170 0.0000 0.0000 34109.9376 -149439.6522 297.8906 -183549.5899 -149346.3765 298.1744 -47.8640 -15.1157 558264.5694 -4.4160 -4.5471 PRESSURE: 3227800 -228.564 -66.9072 -8.44459 -66.9084 -281.847 -12.9826 -8.44525 -12.981 -164.431 GPRESSURE: 3227800 -180.031 -94.131 22.7201 -61.5578 -275.304 -105.3 -31.2118 88.063 -136.989 PRESSAVG: 3227800 75.2491 -28.6649 3.56997 -28.665 -66.1301 6.91941 3.56995 6.91962 -66.7085 GPRESSAVG: 3227800 75.3289 -28.1238 3.38766 -30.4589 -64.2117 8.6752 3.25303 5.16147 -68.4141 TIMING: 3227800 CPU: 9719.74, 0.002997/step Wall: 9719.74, 0.002997/step, 1.47536 hours remaining, 211.070312 MB of memory in use. ENERGY: 3227800 779.9035 2078.7588 1960.5946 117.6822 -206222.5820 17734.5136 0.0000 0.0000 34132.8649 -149418.2644 298.0908 -183551.1293 -149317.6696 298.3236 -224.9475 -197.4412 558065.7584 -19.1965 -19.0990 PRESSURE: 3228000 -273.652 -35.2589 -40.0074 -35.2594 15.7371 -219.465 -40.0067 -219.465 -196.909 GPRESSURE: 3228000 -232.823 -166.181 2.061 56.0751 -53.0269 -154.894 -33.8101 -232.914 -83.9557 PRESSAVG: 3228000 -26.9686 -28.221 11.0624 -28.2209 77.499 -90.958 11.0624 -90.9581 -73.3801 GPRESSAVG: 3228000 -27.1859 -26.9248 12.7915 -29.3651 75.5865 -92.275 10.6247 -90.6435 -71.3342 TIMING: 3228000 CPU: 9720.33, 0.00297814/step Wall: 9720.33, 0.00297814/step, 1.4659 hours remaining, 211.070312 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: 3228000 729.4572 2108.5011 1940.9993 103.1071 -206235.1226 17645.7713 0.0000 0.0000 34218.0359 -149489.2506 298.8346 -183707.2866 -149398.0602 299.1916 -151.6079 -123.2684 558425.4763 -7.6166 -7.6445 PRESSURE: 3228200 -32.419 -130.049 -73.7631 -130.05 320.196 -63.5413 -73.761 -63.5419 125.551 GPRESSURE: 3228200 -47.0414 -172.293 -74.993 -138.964 355.297 -68.6212 -88.7014 -8.22984 202.143 PRESSAVG: 3228200 56.0016 -13.9704 -9.6084 -13.9703 24.8564 -21.2901 -9.6084 -21.29 -60.0136 GPRESSAVG: 3228200 55.4052 -15.9061 -10.6077 -13.242 26.0241 -22.8628 -8.81046 -19.4359 -60.44 TIMING: 3228200 CPU: 9720.93, 0.00297131/step Wall: 9720.93, 0.00297131/step, 1.46238 hours remaining, 211.070312 MB of memory in use. ENERGY: 3228200 730.8439 2087.4269 1948.5424 108.2993 -206599.7520 18086.8404 0.0000 0.0000 34195.3682 -149442.4309 298.6367 -183637.7991 -149352.9318 298.6624 137.7760 170.1329 556865.4983 6.9481 6.9965 LDB: ============= START OF LOAD BALANCING ============== 9724.44 LDB: ============== END OF LOAD BALANCING =============== 9724.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9724.44 LDB: ============= START OF LOAD BALANCING ============== 9724.74 LDB: Largest compute 4802 load 0.031039 is 26.2% of average load 0.118305 LDB: Average compute 0.001728 is 1.5% of average load 0.118305 LDB: TIME 9724.75 LOAD: AVG 0.118305 MAX 0.209254 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.918 MB LDB: TIME 9724.75 LOAD: AVG 0.118305 MAX 0.209254 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.918 MB LDB: TIME 9724.75 LOAD: AVG 0.118305 MAX 0.209254 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.918 MB LDB: ============== END OF LOAD BALANCING =============== 9724.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9724.75 PRESSURE: 3228400 -159.082 -53.2375 -21.3006 -53.2366 248.726 103.64 -21.3004 103.64 -65.5216 GPRESSURE: 3228400 -156.602 -57.7725 -0.980291 -55.6468 250.049 36.1552 78.9742 57.7 28.0945 PRESSAVG: 3228400 59.7082 -58.1387 -32.7402 -58.1388 -45.855 -43.9384 -32.7402 -43.9384 -21.7718 GPRESSAVG: 3228400 60.2367 -58.2822 -32.3637 -57.0457 -46.3985 -44.9562 -31.5449 -47.2891 -21.3558 TIMING: 3228400 CPU: 9721.54, 0.00304587/step Wall: 9721.54, 0.00304587/step, 1.49891 hours remaining, 208.941406 MB of memory in use. ENERGY: 3228400 711.1963 2121.2023 1904.9064 111.2274 -206466.7508 17873.3505 0.0000 0.0000 34290.6183 -149454.2497 299.4685 -183744.8680 -149364.1705 298.7109 8.0410 40.5140 557404.7434 -2.6395 -2.5059 PRESSURE: 3228600 26.0458 88.5923 -141.473 88.594 -236.281 -12.696 -141.474 -12.6975 91.5785 GPRESSURE: 3228600 40.497 53.787 -93.239 101.597 -223.178 32.8269 -119.237 -9.85788 147.603 PRESSAVG: 3228600 -17.0181 10.8726 -11.5248 10.8725 -11.0784 -28.5051 -11.5248 -28.5052 12.2452 GPRESSAVG: 3228600 -17.318 9.61067 -10.5617 11.3357 -11.3807 -28.1079 -11.3873 -26.1805 12.7693 TIMING: 3228600 CPU: 9722.14, 0.00302477/step Wall: 9722.14, 0.00302477/step, 1.48836 hours remaining, 209.144531 MB of memory in use. ENERGY: 3228600 735.2751 2032.9869 1933.6786 113.2126 -206029.1314 17586.1034 0.0000 0.0000 34311.1142 -149316.7607 299.6475 -183627.8749 -149214.2552 298.7263 -39.5521 -11.6927 557096.5572 -5.2838 -5.3098 PRESSURE: 3228800 208.33 66.8586 -36.1417 66.8576 263.415 -55.6321 -36.1416 -55.6302 -88.5725 GPRESSURE: 3228800 168.104 -17.1912 -39.1267 78.9751 306.146 -102.694 -85.8882 -91.141 -2.95539 PRESSAVG: 3228800 2.93873 2.68261 1.70751 2.6827 -20.7001 -41.353 1.70745 -41.353 20.174 GPRESSAVG: 3228800 2.70685 5.80654 0.600986 2.12959 -19.7989 -41.6947 2.48684 -41.8503 19.4904 TIMING: 3228800 CPU: 9722.74, 0.0030136/step Wall: 9722.74, 0.0030136/step, 1.48269 hours remaining, 209.144531 MB of memory in use. ENERGY: 3228800 699.2324 2070.0809 1920.8741 111.1383 -206288.9176 17841.0156 0.0000 0.0000 34313.8082 -149332.7682 299.6710 -183646.5763 -149236.9069 299.0985 127.7243 157.0981 556309.2907 0.8042 0.7995 PRESSURE: 3229000 -126.786 200.983 118.785 200.982 -75.8492 52.9173 118.786 52.917 -253.746 GPRESSURE: 3229000 -143.552 151.556 96.3815 219.326 13.4351 24.9266 99.2374 51.2324 -231.656 PRESSAVG: 3229000 73.1302 -46.9978 -0.393834 -46.9978 -57.8367 -95.6206 -0.393847 -95.6206 15.8418 GPRESSAVG: 3229000 74.0237 -46.0448 0.542441 -49.1519 -59.2924 -93.8015 -2.29255 -95.6182 16.5867 TIMING: 3229000 CPU: 9723.35, 0.00302414/step Wall: 9723.35, 0.00302414/step, 1.48771 hours remaining, 209.144531 MB of memory in use. ENERGY: 3229000 706.9457 2083.0710 1930.9600 113.3363 -205876.1273 17596.5535 0.0000 0.0000 34302.7542 -149142.5065 299.5745 -183445.2608 -149040.6734 299.1988 -152.1270 -120.5910 558003.3458 10.3784 10.4393 PRESSURE: 3229200 -106.888 -131.848 21.0129 -131.848 -183.226 -68.7571 21.0118 -68.7568 -273.81 GPRESSURE: 3229200 -92.3912 -168.519 60.7918 -156.492 -173.759 -9.34054 17.4746 -106.398 -194.535 PRESSAVG: 3229200 -8.32373 -37.2964 -3.29575 -37.2964 -24.7621 28.0867 -3.29577 28.0867 30.4922 GPRESSAVG: 3229200 -7.59063 -39.0438 -5.58728 -36.2998 -24.5378 31.0899 -1.13034 25.8199 29.3219 TIMING: 3229200 CPU: 9723.94, 0.0029811/step Wall: 9723.94, 0.0029811/step, 1.46637 hours remaining, 209.144531 MB of memory in use. ENERGY: 3229200 740.2897 2095.1661 1930.3587 108.9478 -205869.7149 17428.6530 0.0000 0.0000 34450.5222 -149115.7773 300.8650 -183566.2995 -149012.9626 299.3060 -187.9746 -153.5616 557561.2252 -0.8645 -0.9355 PRESSURE: 3229400 110.911 80.6268 122.719 80.6275 -27.9334 -39.0275 122.719 -39.0274 -73.0947 GPRESSURE: 3229400 166.328 77.0343 117.166 26.6022 25.8123 -82.2384 92.8259 -41.2786 -82.046 PRESSAVG: 3229400 -41.807 -0.423747 28.7922 -0.423769 4.69769 9.55617 28.7922 9.55599 46.3147 GPRESSAVG: 3229400 -41.4521 -0.202458 30.6537 0.00136838 4.98719 5.77144 28.5415 12.9762 45.7121 TIMING: 3229400 CPU: 9724.54, 0.0029636/step Wall: 9724.54, 0.0029636/step, 1.4576 hours remaining, 209.144531 MB of memory in use. ENERGY: 3229400 764.5415 2098.2996 1941.3247 114.0484 -205970.0827 17839.0998 0.0000 0.0000 34308.2337 -148904.5351 299.6223 -183212.7688 -148816.9244 300.6926 3.2944 36.6981 557175.0343 3.0685 3.0824 PRESSURE: 3229600 -103.905 -36.5327 49.7913 -36.5325 -247.559 38.9301 49.791 38.9287 -59.0841 GPRESSURE: 3229600 -71.2331 0.950831 -41.5365 38.3121 -190.616 26.5695 133.25 44.0981 -60.7615 PRESSAVG: 3229600 2.93848 -10.7982 22.5297 -10.7982 -9.22523 -31.051 22.5296 -31.0511 25.6932 GPRESSAVG: 3229600 2.53892 -10.3976 21.8982 -10.8083 -10.1402 -28.3505 22.6698 -32.2465 27.2675 TIMING: 3229600 CPU: 9725.13, 0.00297256/step Wall: 9725.13, 0.00297256/step, 1.46184 hours remaining, 209.144531 MB of memory in use. ENERGY: 3229600 757.0113 2170.9554 1948.8267 118.3990 -205978.4668 17645.8495 0.0000 0.0000 34370.4438 -148966.9811 300.1656 -183337.4249 -148862.9061 300.4972 -136.8493 -107.5368 559193.5785 6.4688 6.5554 PRESSURE: 3229800 26.4832 -33.0253 -49.2621 -33.0253 -121.212 171.253 -49.2629 171.252 207.145 GPRESSURE: 3229800 58.9608 -44.8241 -6.92153 -90.0616 -59.8084 97.3497 30.9001 190.39 221.252 PRESSAVG: 3229800 -23.4392 -16.3735 -18.8831 -16.3735 -14.8066 -7.97407 -18.883 -7.97407 14.0506 GPRESSAVG: 3229800 -23.136 -17.4462 -18.9292 -16.5912 -13.462 -9.03801 -18.5544 -5.72997 12.6743 TIMING: 3229800 CPU: 9725.73, 0.00297233/step Wall: 9725.73, 0.00297233/step, 1.46156 hours remaining, 209.144531 MB of memory in use. ENERGY: 3229800 702.3251 2085.2655 1930.6282 107.3094 -205916.7911 17553.2925 0.0000 0.0000 34561.0554 -148976.9148 301.8303 -183537.9702 -148883.2372 299.4484 37.4719 73.4680 556705.1872 -8.0651 -7.9745 PRESSURE: 3230000 83.4494 -103.603 -188.852 -103.603 11.9418 -167.135 -188.852 -167.137 186.277 GPRESSURE: 3230000 112.59 -182.799 -197.995 -69.7908 59.2794 -81.6253 -115.833 -202.58 206.892 PRESSAVG: 3230000 6.53978 22.7187 -13.5617 22.7188 -17.4382 -2.33394 -13.5616 -2.33379 9.72301 GPRESSAVG: 3230000 6.03652 23.7487 -13.6463 22.6385 -18.0216 -2.47132 -13.6428 -5.12301 10.6329 TIMING: 3230000 CPU: 9726.32, 0.00298397/step Wall: 9726.32, 0.00298397/step, 1.46712 hours remaining, 209.144531 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: 3230000 712.1508 2098.3558 1932.3574 123.3093 -206445.0883 17980.1313 0.0000 0.0000 34476.5265 -149122.2572 301.0921 -183598.7837 -149027.3847 299.7909 93.8895 126.2537 556983.1672 -0.3918 -0.4507 PRESSURE: 3230200 -265.259 -113.687 -75.1684 -113.687 7.58007 -83.7859 -75.1672 -83.7864 102.874 GPRESSURE: 3230200 -173.543 -84.7064 -21.9372 -118.053 -11.8242 -118.273 -111.463 -43.0178 126.606 PRESSAVG: 3230200 -19.642 -28.6727 -55.9568 -28.6727 40.2527 -57.328 -55.9569 -57.328 -7.87749 GPRESSAVG: 3230200 -19.2344 -29.8722 -56.4655 -27.2463 39.5238 -57.5748 -57.47 -57.935 -7.76574 TIMING: 3230200 CPU: 9726.93, 0.00303056/step Wall: 9726.93, 0.00303056/step, 1.48986 hours remaining, 209.144531 MB of memory in use. ENERGY: 3230200 743.6731 2003.4991 1922.0678 113.1897 -206164.1344 17798.9318 0.0000 0.0000 34227.4691 -149355.3039 298.9170 -183582.7730 -149257.6669 299.2105 -51.6016 -19.5871 557476.5103 4.2444 4.1745 PRESSURE: 3230400 92.7013 -177.757 -136.033 -177.757 -34.9145 125.246 -136.032 125.244 54.979 GPRESSURE: 3230400 154.446 -331.761 -185.731 -8.04011 -29.8907 22.3289 -78.1623 72.6829 83.2285 PRESSAVG: 3230400 3.49287 10.5657 -6.15091 10.5658 -60.889 -13.4968 -6.15093 -13.4969 54.7472 GPRESSAVG: 3230400 1.71465 12.3312 -4.89111 8.35663 -59.5288 -13.2981 -3.90445 -11.5413 54.963 TIMING: 3230400 CPU: 9727.53, 0.00299423/step Wall: 9727.53, 0.00299423/step, 1.47183 hours remaining, 209.144531 MB of memory in use. ENERGY: 3230400 750.1024 2091.6594 1936.0972 115.9797 -206597.2398 17859.1070 0.0000 0.0000 34505.8802 -149338.4140 301.3484 -183844.2942 -149243.5315 299.2299 37.5886 69.2612 556431.7822 -0.8830 -0.9504 PRESSURE: 3230600 141.988 6.45415 110.82 6.45344 -65.6746 -204.511 110.822 -204.511 -42.586 GPRESSURE: 3230600 146.09 -36.8779 182.192 67.2025 -2.37987 -166.445 60.7595 -244.428 -11.9684 PRESSAVG: 3230600 106.934 -21.7428 0.773249 -21.7428 -45.8799 -13.3201 0.773283 -13.32 -53.9162 GPRESSAVG: 3230600 108.831 -21.8281 0.0172407 -21.0121 -45.5585 -12.7243 -0.651677 -15.2592 -56 TIMING: 3230600 CPU: 9728.12, 0.00297497/step Wall: 9728.12, 0.00297497/step, 1.4622 hours remaining, 209.144531 MB of memory in use. ENERGY: 3230600 750.6062 2085.8841 1945.5005 111.4334 -206148.6036 17816.8022 0.0000 0.0000 34339.2895 -149099.0877 299.8936 -183438.3772 -148998.8139 299.4665 11.2425 43.9138 558748.6768 2.3794 2.4243 PRESSURE: 3230800 25.0021 -40.2391 -105.455 -40.2384 -28.8568 -28.5186 -105.455 -28.519 -103.678 GPRESSURE: 3230800 48.2291 -88.2707 -125.679 9.79078 21.9509 -53.303 -79.5721 -3.61713 -66.3617 PRESSAVG: 3230800 52.503 -31.5258 3.51324 -31.5258 -2.37763 14.7296 3.5133 14.7296 -31.2278 GPRESSAVG: 3230800 51.842 -32.7383 3.07477 -29.7337 -3.4893 15.9334 4.13694 16.5535 -29.3954 TIMING: 3230800 CPU: 9728.71, 0.00295778/step Wall: 9728.71, 0.00295778/step, 1.45358 hours remaining, 209.144531 MB of memory in use. ENERGY: 3230800 757.3987 2165.7847 1926.5941 101.0048 -206502.7428 18015.6988 0.0000 0.0000 34420.0993 -149116.1624 300.5993 -183536.2617 -149017.6639 299.9788 -35.8444 1.2728 557601.9636 6.2992 6.3191 PRESSURE: 3231000 10.1035 -71.6194 47.9111 -71.6187 -95.2067 40.764 47.9124 40.7642 -43.9192 GPRESSURE: 3231000 105.851 -89.755 14.0184 -20.6533 -139.557 -5.63643 139.291 51.5504 7.78874 PRESSAVG: 3231000 8.18082 17.9982 -66.6836 17.9981 -13.2951 -7.86304 -66.6835 -7.86299 -12.9831 GPRESSAVG: 3231000 8.85062 17.0722 -65.378 17.8654 -13.5801 -8.48635 -67.9847 -8.03331 -13.5574 TIMING: 3231000 CPU: 9729.31, 0.00299103/step Wall: 9729.31, 0.00299103/step, 1.46976 hours remaining, 209.144531 MB of memory in use. ENERGY: 3231000 750.7469 2133.8696 1945.3415 117.4689 -206161.3802 17793.6169 0.0000 0.0000 34007.9468 -149412.3898 296.9999 -183420.3365 -149319.0819 299.0524 -43.0075 -8.6391 557297.8507 -6.0324 -6.0956 PRESSURE: 3231200 -103.622 16.9781 -38.1312 16.9787 -93.2236 -43.7691 -38.1307 -43.7702 52.0876 GPRESSURE: 3231200 -2.25935 14.0329 -53.1919 -60.0986 -107.447 -91.722 7.89836 14.2027 65.5306 PRESSAVG: 3231200 70.4561 9.95503 -24.1635 9.95516 -51.5554 52.4691 -24.1635 52.4691 -45.4851 GPRESSAVG: 3231200 69.7754 11.7883 -23.9924 7.79208 -49.8488 49.9075 -23.0373 52.7403 -46.4302 TIMING: 3231200 CPU: 9729.92, 0.00302555/step Wall: 9729.92, 0.00302555/step, 1.48655 hours remaining, 209.144531 MB of memory in use. ENERGY: 3231200 781.1575 2121.5441 1924.5351 117.0524 -206310.0596 17697.0853 0.0000 0.0000 34250.2742 -149418.4111 299.1162 -183668.6853 -149328.5830 299.1930 -48.2527 -14.7252 556389.0199 -8.8615 -8.8345 PRESSURE: 3231400 -139.225 142.617 -45.9576 142.619 -295.523 -121.71 -45.9589 -121.712 -392.004 GPRESSURE: 3231400 -136.29 184.57 6.07798 99.1383 -265.927 -62.0314 -36.968 -160.069 -330.985 PRESSAVG: 3231400 86.391 -50.5469 -80.9334 -50.5469 16.5395 14.5807 -80.9335 14.5808 -69.3437 GPRESSAVG: 3231400 85.3277 -52.6878 -81.5036 -48.8352 16.9064 16.0973 -79.3561 13.3427 -68.7448 TIMING: 3231400 CPU: 9730.52, 0.0030128/step Wall: 9730.52, 0.0030128/step, 1.48012 hours remaining, 209.144531 MB of memory in use. ENERGY: 3231400 765.3256 2101.3606 1939.9499 113.5860 -206015.6472 17536.3276 0.0000 0.0000 34098.7282 -149460.3693 297.7927 -183559.0975 -149361.4527 299.2932 -275.5842 -244.4005 558099.8084 11.1956 11.1631 PRESSURE: 3231600 113.263 108.071 -32.8482 108.072 423.567 -88.8261 -32.8472 -88.8239 59.0571 GPRESSURE: 3231600 125.656 143.923 -27.2496 121.011 440.434 -86.9574 8.14966 -110.678 123.078 PRESSAVG: 3231600 31.3808 37.3494 -22.5737 37.3494 15.79 41.463 -22.5736 41.463 -24.9651 GPRESSAVG: 3231600 31.7657 38.7548 -18.9813 35.8612 15.3267 39.1254 -25.9796 41.9558 -24.5411 TIMING: 3231600 CPU: 9731.13, 0.00304826/step Wall: 9731.13, 0.00304826/step, 1.49737 hours remaining, 209.144531 MB of memory in use. ENERGY: 3231600 704.5147 2108.4612 1942.5198 118.1205 -206883.8931 18145.1120 0.0000 0.0000 34435.2070 -149429.9578 300.7312 -183865.1648 -149331.8143 298.9293 198.6288 229.7226 555697.1440 7.4019 7.5171 PRESSURE: 3231800 -44.6168 147.178 108.496 147.178 -12.5329 31.0291 108.495 31.0284 -241.128 GPRESSURE: 3231800 10.9475 156.598 94.5565 125.904 -10.5646 61.7481 124.921 47.3331 -211.76 PRESSAVG: 3231800 -16.454 12.755 -34.239 12.755 -1.42568 19.3111 -34.239 19.3112 -3.3206 GPRESSAVG: 3231800 -18.0117 11.944 -36.9759 12.626 0.272622 22.1236 -33.9828 19.4746 -3.82714 TIMING: 3231800 CPU: 9731.74, 0.00302813/step Wall: 9731.74, 0.00302813/step, 1.48732 hours remaining, 209.144531 MB of memory in use. ENERGY: 3231800 775.5271 2106.4907 1933.6844 110.2985 -206221.0463 17787.5228 0.0000 0.0000 34216.3410 -149291.1817 298.8198 -183507.5227 -149195.3559 299.0635 -99.4260 -70.4590 555894.6262 -7.0667 -7.1887 PRESSURE: 3232000 41.7931 76.6337 7.17149 76.6327 -227.446 -27.2081 7.17132 -27.2077 -90.6655 GPRESSURE: 3232000 100.855 89.6985 -158.978 117.939 -221.281 -35.7244 36.5019 -117.451 -60.4512 PRESSAVG: 3232000 17.1054 13.6625 12.6249 13.6626 31.4493 0.27021 12.625 0.270207 -31.1399 GPRESSAVG: 3232000 17.4915 11.9251 11.3261 17.8134 30.0203 -1.24744 14.0153 0.932201 -30.3142 TIMING: 3232000 CPU: 9732.34, 0.00303918/step Wall: 9732.34, 0.00303918/step, 1.49257 hours remaining, 209.144531 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: 3232000 756.7827 2141.0028 1920.5947 107.7578 -206309.5411 17878.0213 0.0000 0.0000 34370.3855 -149134.9965 300.1651 -183505.3820 -149043.9982 299.5859 -92.1061 -60.2926 556556.7547 5.8049 5.7325 PRESSURE: 3232200 157.991 86.0667 -100.529 86.0669 87.4818 -92.5633 -100.529 -92.5631 -85.0822 GPRESSURE: 3232200 222.483 110.111 -155.976 93.2267 147.902 19.0275 -178.503 -151.409 -109.168 PRESSAVG: 3232200 58.9578 -6.7602 -25.1759 -6.76019 -0.775436 -20.222 -25.1759 -20.2219 -32.3427 GPRESSAVG: 3232200 60.2869 -2.47969 -23.8926 -11.3168 0.126842 -20.1671 -24.5146 -19.8735 -34.2037 TIMING: 3232200 CPU: 9732.95, 0.00303426/step Wall: 9732.95, 0.00303426/step, 1.48999 hours remaining, 209.144531 MB of memory in use. ENERGY: 3232200 728.3195 2107.3448 1972.1764 120.2187 -206681.2597 17913.1682 0.0000 0.0000 34473.2805 -149366.7516 301.0637 -183840.0321 -149268.3362 300.0433 53.4637 87.0725 557395.9000 8.6132 8.7367 LDB: ============= START OF LOAD BALANCING ============== 9736.47 LDB: ============== END OF LOAD BALANCING =============== 9736.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9736.47 LDB: ============= START OF LOAD BALANCING ============== 9736.77 LDB: Largest compute 4802 load 0.032170 is 27.2% of average load 0.118272 LDB: Average compute 0.001729 is 1.5% of average load 0.118272 LDB: TIME 9736.77 LOAD: AVG 0.118272 MAX 0.210499 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.902 MB LDB: TIME 9736.77 LOAD: AVG 0.118272 MAX 0.210499 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.973 MB LDB: TIME 9736.77 LOAD: AVG 0.118272 MAX 0.210499 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.973 MB LDB: ============== END OF LOAD BALANCING =============== 9736.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9736.78 PRESSURE: 3232400 -171.185 196.698 -13.687 196.697 96.6862 113.196 -13.687 113.196 -141.662 GPRESSURE: 3232400 -184.501 167.073 -4.22718 191.988 184.614 125.906 -3.50283 62.3249 -125.041 PRESSAVG: 3232400 -31.42 4.17961 60.3067 4.17952 14.0628 -16.692 60.3067 -16.692 -1.14214 GPRESSAVG: 3232400 -31.6039 2.59485 60.5271 6.54826 14.0153 -15.2448 59.2387 -17.6842 -0.883571 TIMING: 3232400 CPU: 9733.56, 0.00306391/step Wall: 9733.56, 0.00306391/step, 1.50438 hours remaining, 211.000000 MB of memory in use. ENERGY: 3232400 761.6861 2095.4815 1975.4494 128.8053 -206320.3020 17838.2798 0.0000 0.0000 34032.7967 -149487.8034 297.2169 -183520.6000 -149387.3714 299.3425 -72.0537 -41.6427 558234.5688 -6.1665 -6.1574 PRESSURE: 3232600 -1.89073 -55.4812 -102.887 -55.4813 -268.444 33.3451 -102.888 33.3433 49.4144 GPRESSURE: 3232600 35.3026 -77.3486 -120.517 -53.2163 -245.58 -36.3746 -143.28 86.0217 77.0501 PRESSAVG: 3232600 -54.4341 -1.84931 -43.2327 -1.84932 25.788 -3.85515 -43.2327 -3.85516 24.6386 GPRESSAVG: 3232600 -54.9657 -1.41746 -45.0331 0.32224 24.8031 -4.20609 -41.0981 -4.85429 26.536 TIMING: 3232600 CPU: 9734.16, 0.00299707/step Wall: 9734.16, 0.00299707/step, 1.47139 hours remaining, 211.000000 MB of memory in use. ENERGY: 3232600 754.0529 2093.2433 1963.6995 121.3641 -206505.2570 17846.4374 0.0000 0.0000 34223.6514 -149502.8083 298.8837 -183726.4597 -149411.5931 298.3946 -73.6400 -44.4089 558473.6182 -1.3358 -1.2089 PRESSURE: 3232800 21.076 -36.2565 -1.03189 -36.2561 -65.6092 165.88 -1.03161 165.88 179.187 GPRESSURE: 3232800 39.6844 -14.2129 -66.0881 -161.78 10.7592 162.573 16.7474 196.707 174.006 PRESSAVG: 3232800 -25.6622 -24.7062 -15.3103 -24.7062 -14.9347 45.9455 -15.3103 45.9456 -3.11475 GPRESSAVG: 3232800 -26.4428 -24.3343 -14.2122 -29.7347 -14.7363 48.1997 -16.3138 47.189 -3.21257 TIMING: 3232800 CPU: 9734.77, 0.00302925/step Wall: 9734.77, 0.00302925/step, 1.48702 hours remaining, 211.000000 MB of memory in use. ENERGY: 3232800 770.0136 2081.1522 1953.0347 117.9795 -206652.5694 17922.0684 0.0000 0.0000 34432.2239 -149376.0971 300.7052 -183808.3210 -149277.1661 299.3964 44.8846 74.8165 557418.1543 -14.5705 -14.7972 PRESSURE: 3233000 -233.932 138.232 92.9462 138.232 82.7946 50.154 92.9461 50.1531 -196.793 GPRESSURE: 3233000 -151.515 173.647 21.6474 23.121 97.9995 40.4179 152.497 8.57003 -207.523 PRESSAVG: 3233000 -6.09733 22.4356 -18.2058 22.4357 -16.7827 -9.21375 -18.2059 -9.2138 18.555 GPRESSAVG: 3233000 -4.94062 22.4452 -17.4561 23.5263 -15.8533 -11.138 -18.8812 -9.10683 16.5275 TIMING: 3233000 CPU: 9735.37, 0.00299764/step Wall: 9735.37, 0.00299764/step, 1.47134 hours remaining, 211.000000 MB of memory in use. ENERGY: 3233000 780.6050 2126.0055 1943.6421 96.3509 -206346.9160 17766.5725 0.0000 0.0000 34186.6993 -149447.0408 298.5609 -183633.7400 -149349.3569 299.3028 -115.9769 -87.0127 557783.4228 -1.4417 -1.4221 PRESSURE: 3233200 -161.904 148.719 -144.696 148.72 370.677 -75.2312 -144.697 -75.2316 309.015 GPRESSURE: 3233200 -90.6178 151.297 -121.917 178.012 379.383 -108.361 -147.957 -148.488 336.647 PRESSAVG: 3233200 -95.8601 45.6012 -22.484 45.6011 66.8655 -33.5804 -22.4839 -33.5803 44.4166 GPRESSAVG: 3233200 -96.0331 46.9283 -23.6683 46.4665 65.5813 -33.838 -21.625 -32.202 46.2042 TIMING: 3233200 CPU: 9735.97, 0.00300761/step Wall: 9735.97, 0.00300761/step, 1.47607 hours remaining, 211.000000 MB of memory in use. ENERGY: 3233200 751.1543 2112.3735 1917.8777 112.3896 -206391.1691 18046.7594 0.0000 0.0000 34237.6093 -149213.0052 299.0056 -183450.6145 -149120.6800 299.2988 172.5960 208.4707 558830.8833 5.1407 5.2508 PRESSURE: 3233400 -83.0861 -97.4335 -54.104 -97.4323 300.136 -112.043 -54.1038 -112.044 109.616 GPRESSURE: 3233400 -78.4586 -72.8312 -65.5399 -102.308 291.636 -92.0593 -32.2816 -108.799 210.17 PRESSAVG: 3233400 -93.6416 43.3935 -12.8586 43.3935 106.054 -22.4234 -12.8586 -22.4233 5.13157 GPRESSAVG: 3233400 -94.085 42.4846 -10.6229 43.4178 106.615 -21.9186 -14.3861 -23.6926 4.41856 TIMING: 3233400 CPU: 9736.56, 0.00297441/step Wall: 9736.56, 0.00297441/step, 1.45961 hours remaining, 211.000000 MB of memory in use. ENERGY: 3233400 788.0657 2183.6163 1937.0784 122.5535 -206547.5579 17980.8314 0.0000 0.0000 34340.4583 -149194.9543 299.9038 -183535.4126 -149102.4497 299.9945 108.8886 141.1159 556888.9968 5.8481 5.6496 PRESSURE: 3233600 72.1703 38.6816 44.7239 38.681 -19.9738 20.1142 44.7223 20.114 -10.6206 GPRESSURE: 3233600 119.915 120.598 61.9545 36.4617 46.5745 53.5893 -37.343 44.6863 -18.7729 PRESSAVG: 3233600 -24.5661 47.6705 45.8346 47.6705 7.31001 -43.9795 45.8345 -43.9795 4.36475 GPRESSAVG: 3233600 -24.2732 45.1723 42.6019 49.2612 8.11835 -44.8013 48.4681 -43.2385 3.09589 TIMING: 3233600 CPU: 9737.16, 0.00296208/step Wall: 9737.16, 0.00296208/step, 1.45339 hours remaining, 211.000000 MB of memory in use. ENERGY: 3233600 771.7632 2068.4366 1959.9664 106.6953 -206291.3440 18025.6766 0.0000 0.0000 34390.5355 -148968.2704 300.3411 -183358.8059 -148871.5238 299.7563 13.8586 49.2390 558622.6456 -4.2971 -4.3530 PRESSURE: 3233800 -87.7939 103.418 -57.2143 103.417 23.4655 25.8396 -57.2129 25.8381 -107.237 GPRESSURE: 3233800 -18.4296 82.0696 -59.9935 88.6796 7.74195 49.6306 -42.034 -58.4496 -68.4006 PRESSAVG: 3233800 -24.0346 18.7192 74.4377 18.7192 71.5118 20.296 74.4377 20.296 -25.1877 GPRESSAVG: 3233800 -22.6213 22.0027 76.4286 13.9641 70.3641 19.6958 73.1233 19.9397 -24.971 TIMING: 3233800 CPU: 9737.75, 0.00299086/step Wall: 9737.75, 0.00299086/step, 1.46735 hours remaining, 211.000000 MB of memory in use. ENERGY: 3233800 779.2566 2121.3129 1931.2021 106.6919 -206024.7330 17837.9578 0.0000 0.0000 34276.6658 -148971.6459 299.3466 -183248.3117 -148866.6389 299.7813 -57.1885 -26.3628 557417.1241 7.4298 7.5906 PRESSURE: 3234000 -111.535 -53.8319 -31.4234 -53.8321 -65.0179 -136.726 -31.4224 -136.726 -417.714 GPRESSURE: 3234000 -112.033 -99.158 -62.084 -51.2344 6.48774 -174.847 -20.1218 -83.0471 -389.923 PRESSAVG: 3234000 56.3181 26.8465 21.8535 26.8466 55.0296 -11.8037 21.8535 -11.8036 -94.5022 GPRESSAVG: 3234000 55.3122 24.5539 23.196 29.7621 55.291 -10.7614 21.548 -11.3702 -93.8479 TIMING: 3234000 CPU: 9738.35, 0.00297157/step Wall: 9738.35, 0.00297157/step, 1.45772 hours remaining, 211.000000 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: 3234000 765.4968 2118.7893 1927.9117 113.9174 -205420.1132 17263.6579 0.0000 0.0000 34224.6606 -149005.6794 298.8925 -183230.3401 -148916.3970 299.6676 -198.0890 -165.1561 557014.6951 5.6152 5.5851 PRESSURE: 3234200 40.6041 104.619 106.37 104.619 -5.56437 44.8893 106.371 44.8898 -14.1378 GPRESSURE: 3234200 72.4214 -4.10283 211.731 141.554 56.9949 18.3436 -24.4679 2.51772 -4.4936 PRESSAVG: 3234200 44.6824 -18.989 -19.5307 -18.9889 29.6241 -68.2906 -19.5307 -68.2907 -62.5677 GPRESSAVG: 3234200 44.4997 -19.728 -19.7431 -19.6314 30.9109 -69.3482 -19.4025 -67.0983 -63.2178 TIMING: 3234200 CPU: 9738.94, 0.00295747/step Wall: 9738.94, 0.00295747/step, 1.45064 hours remaining, 211.000000 MB of memory in use. ENERGY: 3234200 733.0175 2093.5583 1935.4464 109.4549 -206181.0204 17816.3927 0.0000 0.0000 34498.9515 -148994.1991 301.2879 -183493.1506 -148891.4611 299.7814 6.9673 41.6409 556881.6628 3.9129 4.0643 PRESSURE: 3234400 283.418 64.1841 -76.1451 64.1844 -118.154 44.1502 -76.145 44.1515 124.682 GPRESSURE: 3234400 320.324 67.6347 -137.023 35.5452 -82.3612 111.807 51.1829 -18.5878 153.709 PRESSAVG: 3234400 39.6398 -15.3919 40.6156 -15.3918 -4.9784 -8.42027 40.6157 -8.42009 1.53567 GPRESSAVG: 3234400 39.1719 -12.8171 38.6933 -15.7626 -4.76046 -7.93403 42.2956 -8.98901 2.14791 TIMING: 3234400 CPU: 9739.53, 0.00296705/step Wall: 9739.53, 0.00296705/step, 1.45517 hours remaining, 211.000000 MB of memory in use. ENERGY: 3234400 708.4656 2097.1796 1947.3341 132.5536 -206215.4246 17953.6890 0.0000 0.0000 34466.7536 -148909.4491 301.0067 -183376.2027 -148810.3812 300.5284 96.6490 130.5574 557896.2990 12.0657 12.1865 PRESSURE: 3234600 -50.3481 73.9648 18.2082 73.9641 -21.1682 -128.395 18.2069 -128.395 -67.9274 GPRESSURE: 3234600 57.6103 27.8354 71.4126 132.205 -48.9653 -66.729 56.3144 -156.033 -51.6441 PRESSAVG: 3234600 67.1858 30.8021 44.6186 30.802 -21.3527 -8.93966 44.6186 -8.93959 -96.7488 GPRESSAVG: 3234600 68.342 30.0724 44.1632 30.4285 -22.3755 -9.72133 45.3109 -8.74215 -96.5566 TIMING: 3234600 CPU: 9740.13, 0.00299665/step Wall: 9740.13, 0.00299665/step, 1.46952 hours remaining, 211.000000 MB of memory in use. ENERGY: 3234600 737.1019 2060.9048 1941.9806 121.6437 -206344.2842 17928.7563 0.0000 0.0000 34559.5234 -148994.3734 301.8169 -183553.8969 -148901.8994 300.1390 -46.4812 -14.3330 558249.9299 -16.9719 -16.8634 PRESSURE: 3234800 40.7167 65.8199 14.3813 65.8202 -160.279 -189.011 14.3825 -189.01 281.452 GPRESSURE: 3234800 73.1633 93.1395 6.13621 8.71509 -113.362 -253.823 -40.2962 -145.131 308.656 PRESSAVG: 3234800 29.525 -65.4461 -26.4893 -65.4459 20.0225 18.0374 -26.4893 18.0374 -42.8817 GPRESSAVG: 3234800 29.0623 -66.6665 -25.3995 -64.2653 20.4766 19.9228 -27.8919 16.1692 -42.9152 TIMING: 3234800 CPU: 9740.74, 0.00301232/step Wall: 9740.74, 0.00301232/step, 1.47704 hours remaining, 211.000000 MB of memory in use. ENERGY: 3234800 754.5431 2118.5885 1970.7931 129.5005 -206200.3025 17900.4572 0.0000 0.0000 34330.7266 -148995.6935 299.8188 -183326.4201 -148897.2764 299.9984 53.9634 89.4857 557004.5454 2.2219 2.2079 PRESSURE: 3235000 -125.126 -86.2303 -11.6321 -86.2312 120.209 118.846 -11.63 118.845 -104.886 GPRESSURE: 3235000 -84.5062 -132.025 28.8053 -120.924 184.481 119.794 -37.4516 193.828 -108.13 PRESSAVG: 3235000 6.8605 16.1832 -77.6607 16.1832 2.07524 -34.773 -77.6607 -34.7731 4.83593 GPRESSAVG: 3235000 7.06719 13.9857 -77.8847 17.5059 2.79297 -35.7389 -77.5667 -34.9006 3.92488 TIMING: 3235000 CPU: 9741.33, 0.00298708/step Wall: 9741.33, 0.00298708/step, 1.4645 hours remaining, 211.000000 MB of memory in use. ENERGY: 3235000 755.2659 2073.5597 1964.0585 109.8317 -205669.5400 17625.2709 0.0000 0.0000 34240.3620 -148901.1913 299.0296 -183141.5533 -148799.8719 300.0834 -36.6010 -2.7185 558983.8099 4.5906 4.5950 PRESSURE: 3235200 134.637 79.6241 -174.77 79.6226 -165.622 -106.068 -174.77 -106.069 -192.059 GPRESSURE: 3235200 103.65 -2.5281 -230.382 92.9729 -141.384 -90.3591 -127.38 -110.061 -95.2012 PRESSAVG: 3235200 37.5878 37.5503 -22.1425 37.5502 29.4205 -27.7169 -22.1425 -27.7169 -40.2336 GPRESSAVG: 3235200 37.0211 40.5778 -21.8297 36.3397 28.9122 -26.843 -24.6003 -28.0035 -39.4519 TIMING: 3235200 CPU: 9741.94, 0.00303062/step Wall: 9741.94, 0.00303062/step, 1.48568 hours remaining, 211.000000 MB of memory in use. ENERGY: 3235200 747.5500 2072.3922 1935.6975 128.4976 -205829.0289 17738.1113 0.0000 0.0000 34310.2771 -148896.5032 299.6402 -183206.7802 -148799.7441 299.9817 -74.3477 -44.3115 559687.2561 8.9249 8.8271 PRESSURE: 3235400 -36.9367 -86.2227 43.9016 -86.2221 -71.0718 226.821 43.9015 226.82 -146.266 GPRESSURE: 3235400 38.542 -147.05 74.3169 -146.515 -79.1616 225.291 7.69412 209.102 -124.069 PRESSAVG: 3235400 19.2411 -20.894 -54.3528 -20.894 1.19344 -6.33236 -54.3528 -6.33236 -27.8236 GPRESSAVG: 3235400 20.2602 -19.9274 -54.3671 -22.3611 1.74292 -9.02719 -53.1821 -6.41154 -29.3064 TIMING: 3235400 CPU: 9742.54, 0.00302317/step Wall: 9742.54, 0.00302317/step, 1.48186 hours remaining, 211.000000 MB of memory in use. ENERGY: 3235400 788.5895 2036.4795 1934.1392 114.1185 -205980.5692 17678.9036 0.0000 0.0000 34405.9232 -149022.4157 300.4755 -183428.3389 -148931.6771 300.0345 -84.7582 -54.8963 559089.7493 -2.4630 -2.4344 PRESSURE: 3235600 122.319 -63.8439 -158.577 -63.8437 -54.4994 85.005 -158.577 85.0057 -90.3452 GPRESSURE: 3235600 128.221 -76.73 -239.745 -20.0938 -18.2575 48.6236 -90.3566 99.2462 -52.5487 PRESSAVG: 3235600 30.0242 -43.1176 -26.4031 -43.1176 52.5994 29.368 -26.4031 29.368 -52.4633 GPRESSAVG: 3235600 28.6391 -45.3168 -26.825 -41.5405 52.8236 31.7109 -24.7206 28.8614 -51.7733 TIMING: 3235600 CPU: 9743.15, 0.00304074/step Wall: 9743.15, 0.00304074/step, 1.4903 hours remaining, 211.000000 MB of memory in use. ENERGY: 3235600 744.5202 2067.7164 1953.5663 116.4872 -206223.1344 17800.7452 0.0000 0.0000 34249.8129 -149290.2863 299.1121 -183540.0991 -149195.1701 299.4948 -7.5086 19.1384 558335.5769 10.0534 9.8965 PRESSURE: 3235800 268.528 5.58334 -1.9741 5.5837 20.0996 -29.2979 -1.97501 -29.2978 102.992 GPRESSURE: 3235800 334.219 -25.016 58.4494 42.5257 12.3936 -49.157 22.9658 17.2982 139.27 PRESSAVG: 3235800 49.3828 20.9391 -23.2347 20.9391 -12.2275 38.8355 -23.2346 38.8356 -50.3247 GPRESSAVG: 3235800 51.5813 21.909 -23.6774 21.3853 -12.8789 38.0085 -22.6023 41.4198 -51.9956 TIMING: 3235800 CPU: 9743.75, 0.00298221/step Wall: 9743.75, 0.00298221/step, 1.46145 hours remaining, 211.000000 MB of memory in use. ENERGY: 3235800 724.5151 2052.4680 1967.8226 121.0961 -206501.5536 18156.4090 0.0000 0.0000 34261.0387 -149218.2041 299.2102 -183479.2428 -149124.0241 299.0804 130.5398 161.9608 557373.6259 -4.3898 -4.4310 PRESSURE: 3236000 -45.1682 -125.446 5.58623 -125.446 -41.2034 -43.5859 5.58594 -43.5844 241.702 GPRESSURE: 3236000 -8.61778 -82.6429 85.407 -134.208 20.4878 -1.82054 -47.4369 -100.937 265.398 PRESSAVG: 3236000 24.3795 0.665252 22.696 0.665169 -24.0425 -73.9482 22.6961 -73.9482 14.746 GPRESSAVG: 3236000 23.3871 2.95507 23.4415 -0.419331 -23.3479 -74.85 20.7141 -74.3947 15.1702 TIMING: 3236000 CPU: 9744.34, 0.00295448/step Wall: 9744.34, 0.00295448/step, 1.4477 hours remaining, 211.000000 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: 3236000 725.4592 2094.8974 1924.6958 103.9615 -206125.7715 17768.3555 0.0000 0.0000 34357.6689 -149150.7332 300.0541 -183508.4021 -149059.9821 300.0029 51.7767 92.4225 557084.7434 5.0277 5.0698 PRESSURE: 3236200 205.974 -82.8316 8.31774 -82.8314 -80.8774 -90.3153 8.31776 -90.3155 -274.069 GPRESSURE: 3236200 187.662 -15.6153 -44.5809 -58.4182 -65.6551 -117.968 27.7749 -86.7204 -176.7 PRESSAVG: 3236200 13.314 -15.9984 32.7948 -15.9983 -2.80741 -26.3175 32.7948 -26.3176 9.18196 GPRESSAVG: 3236200 13.1861 -18.5954 32.4842 -18.6619 -3.3497 -24.5982 32.3766 -26.4709 8.99696 TIMING: 3236200 CPU: 9744.93, 0.00297019/step Wall: 9744.93, 0.00297019/step, 1.45523 hours remaining, 211.000000 MB of memory in use. ENERGY: 3236200 741.3036 2045.3892 1941.5116 110.6406 -206061.5416 17716.7878 0.0000 0.0000 34342.9957 -149162.9131 299.9259 -183505.9088 -149064.5639 299.4766 -49.6575 -18.2312 557040.7936 6.5629 6.2778 LDB: ============= START OF LOAD BALANCING ============== 9748.45 LDB: ============== END OF LOAD BALANCING =============== 9748.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9748.45 LDB: ============= START OF LOAD BALANCING ============== 9748.76 LDB: Largest compute 4802 load 0.030436 is 25.8% of average load 0.118167 LDB: Average compute 0.001729 is 1.5% of average load 0.118167 LDB: TIME 9748.76 LOAD: AVG 0.118167 MAX 0.21181 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.555 MB LDB: TIME 9748.76 LOAD: AVG 0.118167 MAX 0.21181 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.555 MB LDB: TIME 9748.76 LOAD: AVG 0.118167 MAX 0.21181 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.555 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9748.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9748.76 PRESSURE: 3236400 144.21 -245.31 -211.881 -245.309 251.329 64.9817 -211.881 64.9833 490.798 GPRESSURE: 3236400 218.082 -315.727 -159.841 -166.003 315.919 133.082 -248.747 -4.28246 447.41 PRESSAVG: 3236400 63.5349 -42.32 -15.5747 -42.3201 3.91215 -10.5886 -15.5747 -10.5885 -63.0213 GPRESSAVG: 3236400 64.2085 -42.0958 -14.7332 -38.9489 3.33148 -10.0089 -16.4397 -12.3044 -62.5214 TIMING: 3236400 CPU: 9745.55, 0.00307319/step Wall: 9745.55, 0.00307319/step, 1.50552 hours remaining, 207.714844 MB of memory in use. ENERGY: 3236400 747.2083 2069.2549 1957.7667 110.2923 -206496.3994 18244.5985 0.0000 0.0000 34247.4005 -149119.8783 299.0911 -183367.2788 -149035.6206 299.6125 295.4456 327.1372 557120.4728 1.4753 1.6729 PRESSURE: 3236600 -134.666 -19.943 0.860772 -19.9427 -34.1081 -80.8284 0.860287 -80.8289 40.5306 GPRESSURE: 3236600 -52.3223 12.1191 -30.8981 -31.1966 -71.8743 -158.895 21.3192 -15.7768 89.7593 PRESSAVG: 3236600 -90.1699 -17.1313 26.8167 -17.1312 22.6527 -40.1164 26.8167 -40.1165 72.3426 GPRESSAVG: 3236600 -90.9165 -16.1567 27.8164 -18.0051 23.6711 -40.1834 27.5943 -40.5002 72.3818 TIMING: 3236600 CPU: 9746.15, 0.00298703/step Wall: 9746.15, 0.00298703/step, 1.46315 hours remaining, 207.714844 MB of memory in use. ENERGY: 3236600 757.2937 2091.9136 1926.0434 103.8886 -205892.4651 17535.1393 0.0000 0.0000 34503.7179 -148974.4686 301.3295 -183478.1865 -148878.0269 300.1421 -42.7478 -11.4791 556952.5363 1.6084 1.7122 PRESSURE: 3236800 111.035 -67.6895 -19.2458 -67.6891 -62.0837 -268.396 -19.2457 -268.397 177.381 GPRESSURE: 3236800 177.881 -73.2845 -1.28888 -135.585 -27.2261 -217.955 -68.4268 -203.882 180.557 PRESSAVG: 3236800 -61.7512 14.187 17.7768 14.1871 34.2781 -40.7825 17.7767 -40.7825 7.14868 GPRESSAVG: 3236800 -60.6836 13.2462 17.1895 13.8384 32.7383 -41.4053 16.69 -39.6342 7.27663 TIMING: 3236800 CPU: 9746.75, 0.00301412/step Wall: 9746.75, 0.00301412/step, 1.47625 hours remaining, 207.714844 MB of memory in use. ENERGY: 3236800 753.3231 2108.7841 1941.0826 114.1790 -206118.7983 17763.8951 0.0000 0.0000 34322.1693 -149115.3651 299.7440 -183437.5344 -149013.3697 299.7383 75.4442 110.4041 556416.3784 -6.7748 -6.8895 PRESSURE: 3237000 -387.766 -66.3851 -5.27834 -66.3827 -192.716 -73.2374 -5.27781 -73.238 114.847 GPRESSURE: 3237000 -349.756 0.816442 -49.0725 -79.8639 -185.56 -115.084 13.1306 43.221 177.04 PRESSAVG: 3237000 -34.4806 19.2367 29.0937 19.2367 28.1684 -42.8049 29.0936 -42.805 20.1366 GPRESSAVG: 3237000 -35.1366 18.4784 28.5229 20.0375 29.7767 -41.8884 32.184 -41.7501 19.3833 TIMING: 3237000 CPU: 9747.35, 0.00300078/step Wall: 9747.35, 0.00300078/step, 1.46955 hours remaining, 207.714844 MB of memory in use. ENERGY: 3237000 763.2776 2119.1645 1958.9014 116.8952 -206081.8528 17621.3685 0.0000 0.0000 34450.5972 -149051.6485 300.8656 -183502.2457 -148959.2023 299.6641 -155.2116 -119.4255 557555.7913 4.6081 4.6745 PRESSURE: 3237200 -51.5561 -10.9411 86.8041 -10.9406 -294.792 -129.236 86.8042 -129.236 -171.458 GPRESSURE: 3237200 55.3833 -71.6893 31.5063 2.07778 -309.14 -13.8818 176.565 -144.418 -162.287 PRESSAVG: 3237200 -3.7586 -0.0566553 -41.1849 -0.0566143 -36.934 4.52155 -41.1849 4.52157 45.9491 GPRESSAVG: 3237200 -4.48255 -0.984904 -39.7415 0.190401 -38.1488 3.19996 -43.7133 4.04442 48.1096 TIMING: 3237200 CPU: 9747.95, 0.00301052/step Wall: 9747.95, 0.00301052/step, 1.47415 hours remaining, 207.714844 MB of memory in use. ENERGY: 3237200 778.6892 2095.2159 1952.2651 118.2604 -206315.6277 17804.0008 0.0000 0.0000 34312.0507 -149255.1457 299.6557 -183567.1964 -149162.0073 299.3780 -172.6019 -138.6812 557401.5663 1.7522 1.8261 PRESSURE: 3237400 -89.0621 34.8463 161.281 34.8473 -107.305 85.7258 161.28 85.7248 51.5837 GPRESSURE: 3237400 -101.536 47.2152 176.877 57.3861 -101.142 27.3802 87.1509 139.258 157.977 PRESSAVG: 3237400 -13.571 12.4563 14.5685 12.4564 -35.3404 -26.5546 14.5685 -26.5544 21.1499 GPRESSAVG: 3237400 -12.7049 12.196 12.5351 12.3576 -34.6863 -26.0962 13.1584 -24.7862 19.6262 TIMING: 3237400 CPU: 9748.55, 0.00300062/step Wall: 9748.55, 0.00300062/step, 1.46914 hours remaining, 207.714844 MB of memory in use. ENERGY: 3237400 756.0464 2080.3749 1924.4943 115.7446 -206073.6540 17615.1924 0.0000 0.0000 34305.8414 -149275.9600 299.6014 -183581.8014 -149181.3477 299.1743 -48.2612 -14.9005 556583.8027 -9.2538 -9.2550 PRESSURE: 3237600 10.9904 77.8785 -6.85288 77.8788 -52.5878 58.4185 -6.85149 58.4178 -110.789 GPRESSURE: 3237600 31.1888 26.2986 -16.8929 117.738 6.06361 81.4903 40.0432 1.05138 -83.8352 PRESSAVG: 3237600 -9.17235 20.3576 17.8402 20.3577 6.29769 1.22512 17.8402 1.22502 17.2027 GPRESSAVG: 3237600 -8.99982 19.6599 19.4276 19.3425 7.2156 0.535415 19.7291 1.26608 16.9332 TIMING: 3237600 CPU: 9749.15, 0.0029836/step Wall: 9749.15, 0.0029836/step, 1.46064 hours remaining, 207.714844 MB of memory in use. ENERGY: 3237600 710.9582 1987.6707 1923.5768 109.2102 -206223.9760 17693.9610 0.0000 0.0000 34329.8655 -149468.7337 299.8113 -183798.5992 -149364.5993 298.5541 -50.7954 -15.5276 557652.7275 4.7760 5.0497 PRESSURE: 3237800 79.3087 -124.879 99.7149 -124.878 248.556 26.7494 99.7147 26.7479 -225.037 GPRESSURE: 3237800 118.89 -150.575 29.815 -54.9804 278.953 43.3332 180.523 5.95297 -203.511 PRESSAVG: 3237800 28.101 -4.89265 11.3556 -4.89263 7.75952 37.7384 11.3556 37.7384 -33.5351 GPRESSAVG: 3237800 28.1016 -4.00898 11.0348 -3.70521 7.35552 39.4763 11.5944 34.6527 -33.052 TIMING: 3237800 CPU: 9749.74, 0.00297633/step Wall: 9749.74, 0.00297633/step, 1.45691 hours remaining, 207.714844 MB of memory in use. ENERGY: 3237800 753.5794 2056.9660 1913.4404 120.6971 -206316.9917 17932.7270 0.0000 0.0000 34350.8138 -149188.7680 299.9942 -183539.5819 -149091.0695 298.9322 34.2759 64.7772 557663.1788 0.7751 0.8017 PRESSURE: 3238000 -166.597 7.944 104.1 7.94304 -209.612 64.5222 104.099 64.5212 -137.774 GPRESSURE: 3238000 -178.972 -31.3979 59.3268 -37.4859 -166.874 117.315 171.786 22.693 -56.1677 PRESSAVG: 3238000 34.7245 21.972 26.7591 21.972 -48.5854 12.8627 26.7591 12.8626 13.0428 GPRESSAVG: 3238000 34.6556 24.6745 26.3219 20.0001 -47.89 9.89289 25.7988 14.9612 12.4038 TIMING: 3238000 CPU: 9750.34, 0.00297115/step Wall: 9750.34, 0.00297115/step, 1.45421 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: 3238000 751.4579 2025.3511 1926.7089 112.4318 -206029.2861 17721.0274 0.0000 0.0000 34196.8593 -149295.4497 298.6497 -183492.3090 -149203.7946 299.2549 -171.3279 -134.0043 558342.6667 -0.2727 -0.2769 PRESSURE: 3238200 155.398 -17.919 -88.9698 -17.9197 49.2496 -126.295 -88.9686 -126.293 78.1103 GPRESSURE: 3238200 148.568 -53.5018 -21.5374 35.8819 97.4393 -140.807 -96.1196 -58.2946 139.295 PRESSAVG: 3238200 4.07473 14.9768 59.7195 14.9768 -15.2764 -13.3712 59.7195 -13.3712 22.3067 GPRESSAVG: 3238200 4.01606 15.7885 59.1662 15.7782 -16.6477 -9.48298 60.4437 -13.097 24.2654 TIMING: 3238200 CPU: 9750.93, 0.00297188/step Wall: 9750.93, 0.00297188/step, 1.4544 hours remaining, 207.714844 MB of memory in use. ENERGY: 3238200 690.3140 2016.7942 1971.4432 120.1223 -206372.6413 17995.4958 0.0000 0.0000 34149.3344 -149429.1374 298.2346 -183578.4718 -149341.7019 298.9596 94.2527 128.4342 556699.3998 3.7017 3.8779 PRESSURE: 3238400 -215.873 -40.0311 186.546 -40.0302 -436.373 49.0721 186.545 49.073 267.855 GPRESSURE: 3238400 -210.404 -107.689 203.465 8.93938 -372.174 132.115 172.758 75.1445 297.581 PRESSAVG: 3238400 75.8154 -18.1666 7.20586 -18.1666 -93.0356 -12.8535 7.20592 -12.8535 4.55959 GPRESSAVG: 3238400 75.4857 -19.201 8.97508 -17.519 -92.8743 -16.2877 7.47826 -12.885 4.48748 TIMING: 3238400 CPU: 9751.53, 0.00298659/step Wall: 9751.53, 0.0029866/step, 1.46144 hours remaining, 207.917969 MB of memory in use. ENERGY: 3238400 714.6532 2048.1459 1949.7722 115.9048 -205942.4761 17465.0051 0.0000 0.0000 34189.8688 -149459.1261 298.5886 -183648.9949 -149354.5917 298.6045 -128.1299 -94.9990 556557.7305 -4.2202 -4.3004 PRESSURE: 3238600 78.2069 30.7023 -196.071 30.7023 351.294 -50.14 -196.073 -50.1415 16.2754 GPRESSURE: 3238600 93.328 149.442 -238.735 54.1268 381.667 -60.7203 -171.937 -19.4981 70.7165 PRESSAVG: 3238600 24.788 -11.7793 -32.6887 -11.7793 -33.0006 21.0546 -32.6888 21.0547 45.4128 GPRESSAVG: 3238600 26.0669 -13.9943 -33.3192 -10.1145 -32.4148 22.5032 -34.418 20.6447 44.1746 TIMING: 3238600 CPU: 9752.13, 0.00300296/step Wall: 9752.13, 0.00300296/step, 1.46928 hours remaining, 207.917969 MB of memory in use. ENERGY: 3238600 735.8007 2011.4349 1933.2839 116.5747 -206350.1987 18063.9262 0.0000 0.0000 34139.7385 -149349.4398 298.1508 -183489.1783 -149261.7570 297.8931 148.5921 181.9040 557265.5851 12.4001 12.6089 PRESSURE: 3238800 -269.457 -105.613 -119.332 -105.614 -331.212 -72.5157 -119.332 -72.5139 -106.115 GPRESSURE: 3238800 -233.568 -189.851 -37.353 -51.5932 -266.997 -134.98 -116.96 -73.3102 -90.593 PRESSAVG: 3238800 -20.126 47.155 -17.8971 47.1551 20.0905 -19.8981 -17.897 -19.8982 -5.53724 GPRESSAVG: 3238800 -21.3795 48.8714 -21.1468 45.4976 19.561 -20.5965 -15.5871 -20.1196 -2.86182 TIMING: 3238800 CPU: 9752.73, 0.00301883/step Wall: 9752.73, 0.00301883/step, 1.47688 hours remaining, 207.917969 MB of memory in use. ENERGY: 3238800 725.7615 2059.0063 1938.3754 127.1241 -205758.9372 17506.8401 0.0000 0.0000 34102.3937 -149299.4363 297.8247 -183401.8299 -149202.7605 298.6959 -235.5949 -197.0529 558222.0771 -1.8576 -1.5601 PRESSURE: 3239000 59.5373 -74.4073 -1.90377 -74.4072 144.759 -15.9194 -1.9026 -15.9205 -218.94 GPRESSURE: 3239000 92.2244 -72.111 70.343 -24.0438 144.974 27.243 0.941927 -9.74641 -148.8 PRESSAVG: 3239000 -53.6874 -93.6573 20.6574 -93.6573 27.4632 -14.2621 20.6575 -14.2621 15.3265 GPRESSAVG: 3239000 -53.1864 -93.4112 22.5507 -94.6282 28.5251 -12.684 20.2461 -15.0852 14.3872 TIMING: 3239000 CPU: 9753.33, 0.00298703/step Wall: 9753.33, 0.00298703/step, 1.46116 hours remaining, 207.917969 MB of memory in use. ENERGY: 3239000 747.2353 2045.2342 1927.9944 106.5192 -206268.2414 17888.7833 0.0000 0.0000 34041.6405 -149510.8345 297.2941 -183552.4750 -149419.8333 299.1257 -4.8811 29.4663 558025.1331 -3.6326 -3.4247 PRESSURE: 3239200 22.9552 -26.5602 -10.469 -26.5596 -149.472 -33.1471 -10.4708 -33.1466 -294.484 GPRESSURE: 3239200 29.9432 -49.7242 23.1832 -6.40366 -78.1891 -35.3306 -29.6691 -56.2597 -260.947 PRESSAVG: 3239200 -22.4415 7.62328 -3.86616 7.6233 59.7327 11.5035 -3.8662 11.5036 -43.1335 GPRESSAVG: 3239200 -21.9717 4.65535 -3.71485 10.1291 59.523 8.59846 -6.70547 13.8073 -43.8925 TIMING: 3239200 CPU: 9753.92, 0.00295492/step Wall: 9753.92, 0.00295492/step, 1.44528 hours remaining, 207.917969 MB of memory in use. ENERGY: 3239200 742.9292 2040.0272 1957.6193 118.6658 -206310.6339 17749.3927 0.0000 0.0000 34213.2941 -149488.7055 298.7932 -183701.9997 -149393.2055 297.5339 -140.3336 -103.0642 557308.1253 -1.9474 -2.1138 PRESSURE: 3239400 -218.273 132.204 -61.8744 132.204 246.809 69.0092 -61.8751 69.0102 -359.627 GPRESSURE: 3239400 -133.897 105.532 -109.281 111.77 205.539 43.3913 1.97556 157.343 -304.15 PRESSAVG: 3239400 -0.337986 -23.0551 -7.54414 -23.0551 -5.28978 -29.3029 -7.54414 -29.3028 -6.93089 GPRESSAVG: 3239400 0.187575 -21.6664 -7.28409 -23.3711 -5.54635 -27.3835 -4.93682 -28.8833 -7.58736 TIMING: 3239400 CPU: 9754.52, 0.00296851/step Wall: 9754.52, 0.00296851/step, 1.45177 hours remaining, 207.917969 MB of memory in use. ENERGY: 3239400 747.9035 2071.8313 1917.1571 115.6702 -206258.5825 17749.3871 0.0000 0.0000 34055.1427 -149601.4907 297.4120 -183656.6334 -149503.6947 298.5544 -110.3634 -77.5028 556058.6815 -4.1862 -4.3154 PRESSURE: 3239600 -191.555 54.1353 24.5586 54.1336 -138.032 -133.659 24.5589 -133.657 -22.9275 GPRESSURE: 3239600 -206.03 51.5572 66.1638 28.6921 -24.3641 -131.537 51.6237 -73.8802 -29.4887 PRESSAVG: 3239600 16.5565 -33.6448 53.4858 -33.6449 21.9938 -43.0986 53.4857 -43.0985 -15.663 GPRESSAVG: 3239600 15.96 -35.1771 54.5487 -33.1806 21.5839 -43.7235 51.9766 -43.2972 -14.5067 TIMING: 3239600 CPU: 9755.11, 0.00297932/step Wall: 9755.11, 0.00297932/step, 1.45689 hours remaining, 207.917969 MB of memory in use. ENERGY: 3239600 722.4252 2113.0939 1934.6528 113.8404 -206290.9608 17624.0600 0.0000 0.0000 34225.0345 -149557.8542 298.8957 -183782.8887 -149466.3835 298.0483 -117.5048 -86.6275 556976.7550 7.6291 7.6790 PRESSURE: 3239800 -262.337 -0.706537 -62.2201 -0.707319 196.735 -102.704 -62.2209 -102.702 42.7744 GPRESSURE: 3239800 -267.593 26.9179 -31.759 -47.6339 219.626 -131.18 -70.2494 -94.7586 124.785 PRESSAVG: 3239800 -33.4459 -15.5567 -25.2022 -15.5566 54.3759 9.83333 -25.2021 9.83332 -7.71726 GPRESSAVG: 3239800 -33.3091 -11.375 -25.8669 -19.4394 55.4523 9.49355 -24.5953 9.61566 -9.12103 TIMING: 3239800 CPU: 9755.7, 0.00296087/step Wall: 9755.7, 0.00296087/step, 1.4477 hours remaining, 207.917969 MB of memory in use. ENERGY: 3239800 736.0373 2066.3695 1907.3121 118.1034 -206521.0289 17886.5033 0.0000 0.0000 34300.2934 -149506.4099 299.5530 -183806.7034 -149410.3723 298.5405 -7.6091 25.6060 557145.7049 4.4042 4.3407 PRESSURE: 3240000 62.6843 38.2595 73.3327 38.2598 -134.868 -73.9763 73.3322 -73.9744 62.8361 GPRESSURE: 3240000 119.944 9.3855 111.523 -8.47908 -107.891 -94.6189 18.4872 -28.3184 77.5631 PRESSAVG: 3240000 -6.83509 3.82017 25.0295 3.82014 41.7555 -15.6967 25.0295 -15.6967 -8.88719 GPRESSAVG: 3240000 -6.37712 2.73486 26.2408 5.5101 40.2644 -15.8253 24.1562 -17.1307 -7.52102 TIMING: 3240000 CPU: 9756.31, 0.00301026/step Wall: 9756.31, 0.00301026/step, 1.47168 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: 3240000 784.0634 2103.2080 1919.2086 114.1985 -206557.0981 18049.7992 0.0000 0.0000 33984.3216 -149602.2988 296.7935 -183586.6204 -149508.5113 298.5187 -3.1160 29.8720 556599.4509 8.6777 8.7888 PRESSURE: 3240200 -186.535 -202.434 126.49 -202.433 -131.358 24.1415 126.49 24.1424 -78.0423 GPRESSURE: 3240200 -132.428 -149.85 132.598 -203.201 -144.324 65.4602 88.1995 36.9881 -20.7546 PRESSAVG: 3240200 10.4624 -9.21055 37.2439 -9.21046 8.79012 -5.97292 37.2439 -5.9731 -42.3959 GPRESSAVG: 3240200 11.1302 -11.4956 36.128 -8.80225 8.53016 -4.75861 36.2767 -5.35714 -42.2912 TIMING: 3240200 CPU: 9756.91, 0.00300381/step Wall: 9756.91, 0.00300381/step, 1.46836 hours remaining, 207.917969 MB of memory in use. ENERGY: 3240200 723.9522 2082.4046 1937.5671 108.0165 -205828.7846 17340.9800 0.0000 0.0000 34137.9978 -149497.8664 298.1356 -183635.8642 -149398.1739 298.0340 -131.9785 -99.1690 556177.4446 -7.7145 -7.5436 LDB: ============= START OF LOAD BALANCING ============== 9760.42 LDB: ============== END OF LOAD BALANCING =============== 9760.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9760.42 LDB: ============= START OF LOAD BALANCING ============== 9760.72 LDB: Largest compute 4802 load 0.030741 is 26.0% of average load 0.118172 LDB: Average compute 0.001732 is 1.5% of average load 0.118172 LDB: TIME 9760.73 LOAD: AVG 0.118172 MAX 0.205835 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.77 MB LDB: TIME 9760.73 LOAD: AVG 0.118172 MAX 0.205835 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.77 MB LDB: TIME 9760.73 LOAD: AVG 0.118172 MAX 0.205835 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.77 MB LDB: ============== END OF LOAD BALANCING =============== 9760.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9760.73 PRESSURE: 3240400 26.7741 99.0016 -32.5156 99.0019 -148.462 -80.0514 -32.5164 -80.0514 -144.506 GPRESSURE: 3240400 59.4517 102.096 15.1157 95.1239 -72.7675 -85.0746 -72.1319 -15.165 -166.922 PRESSAVG: 3240400 53.8424 -44.518 47.265 -44.5181 20.7763 4.40065 47.265 4.40064 -54.9711 GPRESSAVG: 3240400 54.2477 -42.1468 46.9118 -44.7637 22.5714 2.91436 48.6324 4.75347 -56.9814 TIMING: 3240400 CPU: 9757.52, 0.00305249/step Wall: 9757.52, 0.00305249/step, 1.49199 hours remaining, 210.824219 MB of memory in use. ENERGY: 3240400 711.7931 2100.9605 1926.8405 114.2690 -206371.6575 17737.2965 0.0000 0.0000 34244.0848 -149536.4130 299.0621 -183780.4978 -149436.5198 298.2221 -88.7313 -60.0794 557562.0048 6.5492 6.6126 PRESSURE: 3240600 -27.8785 -71.5569 -46.9594 -71.5572 95.5897 -85.1562 -46.9602 -85.1551 -114.774 GPRESSURE: 3240600 -36.7581 -98.7043 -65.2703 -2.65696 104.879 -85.8853 -97.4015 -40.0803 -14.9096 PRESSAVG: 3240600 80.517 40.0293 -13.7043 40.0293 -28.9296 -17.254 -13.7042 -17.254 -34.8197 GPRESSAVG: 3240600 79.608 38.3122 -13.4523 39.9908 -30.156 -17.222 -13.8344 -17.9715 -32.6544 TIMING: 3240600 CPU: 9758.11, 0.00295686/step Wall: 9758.11, 0.00295686/step, 1.44508 hours remaining, 210.824219 MB of memory in use. ENERGY: 3240600 724.4958 2104.7843 1925.9460 108.4978 -206133.3309 17723.0595 0.0000 0.0000 33994.6281 -149551.9194 296.8835 -183546.5475 -149465.7330 297.6751 -15.6877 17.7370 556538.6898 5.5892 5.5992 PRESSURE: 3240800 64.659 -19.8722 19.498 -19.8713 -150.929 119.604 19.4987 119.603 -176.185 GPRESSURE: 3240800 85.2044 27.5869 -31.4168 -35.0547 -130.128 49.3521 -10.7995 226.522 -113.701 PRESSAVG: 3240800 42.5169 -15.7399 23.4644 -15.7398 15.3964 28.4736 23.4644 28.4735 -65.2758 GPRESSAVG: 3240800 43.2237 -15.1747 24.43 -13.813 15.6208 29.2943 22.0513 27.324 -66.0375 TIMING: 3240800 CPU: 9758.7, 0.00296304/step Wall: 9758.7, 0.00296304/step, 1.44794 hours remaining, 210.824219 MB of memory in use. ENERGY: 3240800 786.7699 2092.6089 1950.8449 107.2968 -206283.5738 17890.4925 0.0000 0.0000 34059.2698 -149396.2911 297.4481 -183455.5609 -149298.8176 298.6799 -87.4850 -52.8750 557642.6065 -2.4542 -2.3976 PRESSURE: 3241000 -88.3336 -20.3718 49.6597 -20.3698 -178.611 30.119 49.6589 30.1178 -119.691 GPRESSURE: 3241000 -55.9817 1.55153 103.785 15.1636 -195.65 18.0335 -72.3425 -72.8261 -53.6695 PRESSAVG: 3241000 -1.40863 48.975 -44.8742 48.9751 4.3926 47.552 -44.8742 47.552 3.4986 GPRESSAVG: 3241000 -2.43109 48.8244 -45.3308 47.0605 6.01232 47.4288 -44.605 46.1049 2.63637 TIMING: 3241000 CPU: 9759.3, 0.00300658/step Wall: 9759.3, 0.00300658/step, 1.46905 hours remaining, 210.824219 MB of memory in use. ENERGY: 3241000 696.7788 2067.8506 1923.0943 114.9640 -206131.0739 17577.0741 0.0000 0.0000 34255.6061 -149495.7060 299.1627 -183751.3120 -149400.5881 298.4094 -128.8785 -101.7670 558868.8579 2.1609 2.0725 PRESSURE: 3241200 -20.0451 182.535 9.91759 182.536 -148.249 22.2881 9.91825 22.2873 -163.322 GPRESSURE: 3241200 -4.70829 228.662 3.01376 182.958 -96.3566 9.45577 -46.2058 -44.1421 -130.072 PRESSAVG: 3241200 -7.22811 26.4306 8.15726 26.4306 -2.98482 37.0919 8.15732 37.0919 10.9265 GPRESSAVG: 3241200 -7.66134 26.8035 7.66053 27.6845 -4.02155 36.8302 7.97453 38.3583 13.1049 TIMING: 3241200 CPU: 9759.9, 0.00297713/step Wall: 9759.9, 0.00297713/step, 1.45449 hours remaining, 210.824219 MB of memory in use. ENERGY: 3241200 727.1288 2134.9066 1939.6933 105.0932 -206154.7736 17695.9676 0.0000 0.0000 33951.0789 -149600.9053 296.5032 -183551.9842 -149504.2613 298.0516 -110.5386 -77.0458 558446.7968 0.2379 0.4740 PRESSURE: 3241400 -100.525 -81.1711 168.11 -81.1714 -17.1587 -68.578 168.11 -68.5771 -215.708 GPRESSURE: 3241400 -60.5299 -33.1357 124.033 -124.495 -36.0778 -17.3679 73.2613 -168.524 -136.367 PRESSAVG: 3241400 17.1369 36.336 -5.34023 36.3358 -18.2573 -30.6126 -5.34027 -30.6128 -0.671974 GPRESSAVG: 3241400 18.5268 35.3404 -5.33874 35.7739 -16.933 -30.2732 -4.74796 -29.1231 -3.17685 TIMING: 3241400 CPU: 9760.5, 0.00301299/step Wall: 9760.5, 0.00301299/step, 1.47185 hours remaining, 210.824219 MB of memory in use. ENERGY: 3241400 705.1583 2081.4172 1942.9455 117.9557 -206442.3307 17786.2368 0.0000 0.0000 34201.5307 -149607.0864 298.6905 -183808.6171 -149506.1751 298.3556 -111.1304 -77.6583 557513.7911 -0.5975 -0.5277 PRESSURE: 3241600 -81.0917 116.998 -65.6308 116.996 8.58057 194.228 -65.6297 194.228 157.127 GPRESSURE: 3241600 -70.446 92.5052 -45.4643 82.7007 72.3898 129.651 -145.717 233.017 177.076 PRESSAVG: 3241600 12.1372 14.169 33.7083 14.169 -27.7561 -2.07322 33.7081 -2.07339 26.8259 GPRESSAVG: 3241600 11.9411 14.4495 33.3827 12.8709 -28.2353 -3.49028 35.3942 -1.91834 27.7391 TIMING: 3241600 CPU: 9761.09, 0.00297368/step Wall: 9761.09, 0.00297368/step, 1.45248 hours remaining, 210.824219 MB of memory in use. ENERGY: 3241600 730.1541 2092.4695 1965.9537 105.2201 -206435.7936 17812.1233 0.0000 0.0000 34079.6384 -149650.2346 297.6260 -183729.8730 -149554.4880 298.9591 28.2053 59.6734 555567.6530 3.7357 3.8150 PRESSURE: 3241800 -220.407 141.477 -37.1106 141.478 -39.4733 -99.1988 -37.1112 -99.1978 184.12 GPRESSURE: 3241800 -69.1541 101.558 -105.791 107.701 -81.3533 -32.5117 -65.7472 -73.3021 174.474 PRESSAVG: 3241800 7.48944 53.6602 -14.9143 53.6601 7.11796 30.1041 -14.9143 30.1041 11.1904 GPRESSAVG: 3241800 7.76512 53.1002 -16.2758 54.5073 7.16149 32.03 -15.6275 29.5648 10.6803 TIMING: 3241800 CPU: 9761.69, 0.00299913/step Wall: 9761.69, 0.00299913/step, 1.46474 hours remaining, 210.824219 MB of memory in use. ENERGY: 3241800 710.5830 2098.4024 1957.8212 104.2813 -206345.5230 17725.7615 0.0000 0.0000 34179.3948 -149569.2787 298.4972 -183748.6735 -149471.6915 298.8335 -25.2533 7.9888 556401.5564 8.5993 8.5356 PRESSURE: 3242000 -1.50724 47.9709 10.8776 47.9716 -104.061 -168.703 10.8776 -168.704 364.643 GPRESSURE: 3242000 4.15083 58.8883 -25.8716 17.077 -54.6894 -194.34 34.1137 -174.639 399.957 PRESSAVG: 3242000 42.7711 8.96692 -60.0534 8.96691 -81.6561 -56.7874 -60.0535 -56.7873 62.0638 GPRESSAVG: 3242000 43.145 10.6116 -59.2001 9.3356 -82.8088 -55.5622 -61.2268 -55.6002 63.0872 TIMING: 3242000 CPU: 9762.29, 0.00299533/step Wall: 9762.29, 0.00299533/step, 1.46272 hours remaining, 210.824219 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: 3242000 759.3157 2169.2838 1976.6239 115.3824 -206814.0015 18044.7530 0.0000 0.0000 34100.7784 -149647.8644 297.8106 -183748.6428 -149558.2500 298.7088 86.3585 116.4730 555620.0098 7.7262 7.8078 PRESSURE: 3242200 38.1841 165.594 83.3235 165.594 67.5776 -125.654 83.3233 -125.654 0.85794 GPRESSURE: 3242200 72.9524 176.803 93.9666 197.05 112.881 -170.552 101.139 -109.398 29.7405 PRESSAVG: 3242200 47.6037 56.1033 -26.2596 56.1034 -22.3279 0.773052 -26.2597 0.773131 -7.85856 GPRESSAVG: 3242200 46.7253 54.4607 -28.1276 55.1146 -22.0025 -0.168504 -24.5362 -0.836209 -7.46835 TIMING: 3242200 CPU: 9762.9, 0.00301226/step Wall: 9762.9, 0.00301226/step, 1.47082 hours remaining, 210.824219 MB of memory in use. ENERGY: 3242200 742.0049 2115.2143 1951.4469 113.9538 -206369.2095 17882.1229 0.0000 0.0000 34033.5460 -149530.9206 297.2234 -183564.4665 -149433.8317 298.6111 35.5399 71.8578 556318.9583 5.8058 5.7515 PRESSURE: 3242400 121.412 -83.1534 -12.787 -83.1532 128.015 -85.6506 -12.7871 -85.6522 -169.719 GPRESSURE: 3242400 175.555 -115.224 -14.4936 -9.58304 171.829 -99.2505 -89.888 -32.9696 -172.179 PRESSAVG: 3242400 17.4554 37.3123 1.3224 37.3124 -48.5922 -20.4442 1.32233 -20.4443 17.0765 GPRESSAVG: 3242400 18.7797 39.1468 1.85616 38.5492 -48.3319 -19.7077 0.136944 -18.9301 14.9323 TIMING: 3242400 CPU: 9763.5, 0.00301483/step Wall: 9763.5, 0.00301483/step, 1.47191 hours remaining, 210.824219 MB of memory in use. ENERGY: 3242400 761.9566 2112.7746 1926.4302 107.2666 -206479.3319 17863.3776 0.0000 0.0000 34168.8557 -149538.6705 298.4051 -183707.5262 -149439.9474 298.2385 26.5694 58.4018 557298.6097 -4.6868 -4.8733 PRESSURE: 3242600 143.244 45.0584 -20.2575 45.0574 22.8019 -139.18 -20.2574 -139.181 145.65 GPRESSURE: 3242600 172.052 97.0186 -4.57697 42.8602 32.0947 -74.5747 -24.5023 -128.764 207.243 PRESSAVG: 3242600 -24.3852 26.7506 -27.1976 26.7506 13.6154 -31.4163 -27.1976 -31.4164 11.8421 GPRESSAVG: 3242600 -24.9772 23.9489 -25.6062 27.1286 13.4781 -31.7833 -25.9313 -33.2437 12.8521 TIMING: 3242600 CPU: 9764.09, 0.00296673/step Wall: 9764.09, 0.00296673/step, 1.44826 hours remaining, 210.824219 MB of memory in use. ENERGY: 3242600 724.6149 2110.4822 1956.7141 111.1268 -206555.0794 17947.7282 0.0000 0.0000 34280.6416 -149423.7715 299.3814 -183704.4131 -149329.3029 298.6575 103.8985 137.1299 556021.8814 0.3574 0.4510 PRESSURE: 3242800 -296.904 53.0244 128.049 53.025 -378.915 10.237 128.049 10.2372 -144.815 GPRESSURE: 3242800 -234.055 118.999 124.083 -15.7768 -329.642 -1.5929 136.391 29.4774 -156.476 PRESSAVG: 3242800 -56.0202 -9.91176 -1.78254 -9.9119 -17.5503 -49.6947 -1.78254 -49.6947 123.079 GPRESSAVG: 3242800 -56.0479 -7.83472 -2.2918 -9.89052 -17.4671 -51.3557 -2.80942 -47.0797 122.961 TIMING: 3242800 CPU: 9764.68, 0.00296202/step Wall: 9764.68, 0.00296202/step, 1.44579 hours remaining, 210.824219 MB of memory in use. ENERGY: 3242800 744.0263 2164.4517 1956.5558 114.8763 -206060.9363 17492.4603 0.0000 0.0000 34297.1525 -149291.4134 299.5256 -183588.5658 -149194.2294 300.1965 -273.5445 -240.0577 559065.8368 16.5029 16.4821 PRESSURE: 3243000 -104.041 -17.7765 -95.5544 -17.7771 -292.805 30.7653 -95.5528 30.7649 -120.849 GPRESSURE: 3243000 -105.455 23.2028 -78.0874 -56.9654 -233.305 -3.11857 -134.486 36.1359 -84.6243 PRESSAVG: 3243000 3.55387 -8.63187 41.1955 -8.63194 -37.9278 -11.6435 41.1954 -11.6436 36.4451 GPRESSAVG: 3243000 2.88048 -8.97227 42.734 -7.90841 -38.4632 -9.71916 40.9803 -12.783 37.5622 TIMING: 3243000 CPU: 9765.28, 0.00299187/step Wall: 9765.28, 0.00299187/step, 1.4602 hours remaining, 210.824219 MB of memory in use. ENERGY: 3243000 786.7311 2137.0185 1937.7205 123.9056 -206088.1021 17639.6677 0.0000 0.0000 34216.5989 -149246.4597 298.8221 -183463.0587 -149148.4394 299.6487 -172.5650 -141.1283 558469.8475 0.6904 0.6598 PRESSURE: 3243200 27.9015 18.4407 -53.074 18.4418 58.6083 98.8719 -53.0743 98.8713 298.866 GPRESSURE: 3243200 47.2242 81.5993 7.06048 -18.3193 85.7833 39.4698 -114.167 120.148 360.221 PRESSAVG: 3243200 2.01767 27.9081 2.39197 27.908 -7.27746 12.0673 2.39195 12.0673 68.2547 GPRESSAVG: 3243200 2.41118 27.6835 0.374591 27.5408 -6.09196 10.9414 3.28038 13.5151 67.3911 TIMING: 3243200 CPU: 9765.88, 0.00298694/step Wall: 9765.88, 0.00298694/step, 1.45763 hours remaining, 210.824219 MB of memory in use. ENERGY: 3243200 781.9550 2099.7309 1942.5260 111.9008 -206418.9686 18078.3564 0.0000 0.0000 34352.6231 -149051.8764 300.0100 -183404.4994 -148958.8202 299.7957 128.4586 164.4094 556794.9319 20.9983 21.2368 PRESSURE: 3243400 -42.105 73.6292 61.8616 73.6291 160.317 337.179 61.8626 337.18 160.924 GPRESSURE: 3243400 -15.0232 31.4966 108.991 152.307 212.512 414.585 6.40392 300.619 169.072 PRESSAVG: 3243400 -58.46 13.0721 -9.88154 13.0722 43.7537 21.3108 -9.88147 21.3107 35.7694 GPRESSAVG: 3243400 -58.6651 13.0186 -8.0033 12.138 42.9778 21.4065 -9.35733 19.3899 36.6258 TIMING: 3243400 CPU: 9766.48, 0.00297394/step Wall: 9766.48, 0.00297394/step, 1.45112 hours remaining, 210.824219 MB of memory in use. ENERGY: 3243400 718.8815 2137.3192 1937.9910 109.8224 -206448.2951 17982.0216 0.0000 0.0000 34483.1653 -149079.0941 301.1501 -183562.2594 -148985.6067 299.9262 93.0452 122.1871 557416.7381 7.0210 6.9795 PRESSURE: 3243600 -291 -102.959 4.2327 -102.959 -250.77 101.948 4.23254 101.948 -386.712 GPRESSURE: 3243600 -196.841 -119.567 -1.72137 -115.033 -213.859 84.4663 -23.5085 1.76701 -447.174 PRESSAVG: 3243600 -54.87 -70.0688 -1.17488 -70.0688 -1.79405 -1.58125 -1.17495 -1.58134 67.2011 GPRESSAVG: 3243600 -53.2626 -68.8157 -1.89375 -69.6729 -1.60739 -1.05115 -2.06931 -1.24223 64.3122 TIMING: 3243600 CPU: 9767.07, 0.00299515/step Wall: 9767.07, 0.00299515/step, 1.4613 hours remaining, 210.824219 MB of memory in use. ENERGY: 3243600 772.5262 2132.9539 1937.9732 115.2797 -205531.9206 17307.7763 0.0000 0.0000 34216.2092 -149049.2021 298.8187 -183265.4113 -148961.6223 300.4602 -309.4939 -285.9577 557877.9577 3.5124 3.1474 PRESSURE: 3243800 -104.213 -31.7955 -37.8722 -31.7948 -33.9452 -126.553 -37.8723 -126.553 89.6341 GPRESSURE: 3243800 -102.898 -97.2535 -57.2083 -27.5049 12.3208 -126.954 -94.9168 -68.4444 136.792 PRESSAVG: 3243800 -7.16403 -13.1459 -47.0568 -13.146 -89.1192 23.2508 -47.0567 23.2508 64.4854 GPRESSAVG: 3243800 -9.9196 -15.6194 -47.0898 -12.3644 -89.3407 20.9544 -46.9347 27.0917 67.6231 TIMING: 3243800 CPU: 9767.68, 0.00301832/step Wall: 9767.68, 0.00301832/step, 1.47244 hours remaining, 210.824219 MB of memory in use. ENERGY: 3243800 728.6028 2178.3260 1934.7904 103.4411 -206172.0965 17730.3370 0.0000 0.0000 34493.4757 -149003.1236 301.2401 -183496.5993 -148902.8985 300.5343 -16.1748 15.4047 558385.7710 -10.5993 -10.5457 PRESSURE: 3244000 -115.531 -16.0442 12.9485 -16.0435 287.683 13.0231 12.9487 13.0231 166.064 GPRESSURE: 3244000 -32.3466 -50.5463 21.9138 26.8801 297.597 50.3027 83.9435 -13.3748 164.17 PRESSAVG: 3244000 -28.519 -16.9446 -28.4544 -16.9446 -63.4283 -34.6744 -28.4543 -34.6744 83.4434 GPRESSAVG: 3244000 -26.1511 -14.2994 -28.5524 -19.828 -62.7528 -31.6836 -30.7195 -37.8465 80.462 TIMING: 3244000 CPU: 9768.28, 0.0029935/step Wall: 9768.28, 0.0029935/step, 1.46016 hours remaining, 210.824219 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: 3244000 765.0993 2143.8295 1928.8312 106.3880 -206738.5734 18100.0877 0.0000 0.0000 34637.7992 -149056.5384 302.5005 -183694.3377 -148953.9396 300.3983 112.7389 143.1401 555940.7775 -2.8346 -2.8140 PRESSURE: 3244200 28.8357 40.3868 -67.0827 40.3866 -303.131 -5.37799 -67.0826 -5.37807 253.998 GPRESSURE: 3244200 78.9452 4.06425 -124.196 -33.0103 -211.598 5.469 -9.85795 -7.11199 216.461 PRESSAVG: 3244200 -8.59723 4.74845 -13.5854 4.74846 -66.7895 -13.4919 -13.5855 -13.492 55.657 GPRESSAVG: 3244200 -8.98305 3.07656 -15.6818 6.93791 -68.0497 -13.8925 -9.16872 -13.5639 56.9199 TIMING: 3244200 CPU: 9768.88, 0.00301534/step Wall: 9768.88, 0.00301534/step, 1.47065 hours remaining, 210.824219 MB of memory in use. ENERGY: 3244200 723.2658 2094.7751 1941.2843 115.1204 -205861.5080 17760.1314 0.0000 0.0000 34039.1281 -149187.8029 297.2722 -183226.9311 -149094.5070 300.3219 -6.7656 27.9361 557136.9424 -6.5766 -6.7043 LDB: ============= START OF LOAD BALANCING ============== 9772.39 LDB: ============== END OF LOAD BALANCING =============== 9772.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9772.39 LDB: ============= START OF LOAD BALANCING ============== 9772.69 LDB: Largest compute 4802 load 0.031087 is 26.3% of average load 0.118142 LDB: Average compute 0.001739 is 1.5% of average load 0.118142 LDB: TIME 9772.7 LOAD: AVG 0.118142 MAX 0.207858 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.992 MB LDB: TIME 9772.7 LOAD: AVG 0.118142 MAX 0.207858 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.992 MB LDB: TIME 9772.7 LOAD: AVG 0.118142 MAX 0.207858 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.992 MB LDB: ============== END OF LOAD BALANCING =============== 9772.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9772.7 PRESSURE: 3244400 -72.933 79.4626 -134.622 79.4611 -144.439 167.555 -134.622 167.555 -116.296 GPRESSURE: 3244400 -43.6624 59.0329 -128.569 86.2214 -76.9016 166.7 -133.032 93.7007 -113.406 PRESSAVG: 3244400 31.3885 46.5522 39.3489 46.5521 -62.4287 7.31795 39.349 7.31784 27.3609 GPRESSAVG: 3244400 30.8941 45.4122 40.6161 48.2337 -61.6545 6.32006 37.2608 8.67857 26.9125 TIMING: 3244400 CPU: 9769.49, 0.0030362/step Wall: 9769.49, 0.0030362/step, 1.48065 hours remaining, 212.082031 MB of memory in use. ENERGY: 3244400 750.3165 2113.0977 1927.2830 109.0394 -205941.0221 17541.5489 0.0000 0.0000 34058.5106 -149441.2259 297.4414 -183499.7366 -149340.8765 299.1496 -111.2225 -77.9899 556684.7280 -1.2264 -1.2826 PRESSURE: 3244600 -158.055 83.0602 91.5925 83.0602 53.1706 -39.0605 91.5935 -39.0605 -252.982 GPRESSURE: 3244600 -91.9668 82.4855 80.2313 65.1744 23.9445 30.6098 155.034 -56.151 -192.727 PRESSAVG: 3244600 50.9748 49.8178 19.5008 49.8179 46.2281 9.93237 19.5009 9.93242 -86.8395 GPRESSAVG: 3244600 50.2942 51.3936 19.0376 47.7512 45.7903 11.0417 20.6317 7.88508 -85.6441 TIMING: 3244600 CPU: 9770.08, 0.00297298/step Wall: 9770.08, 0.00297298/step, 1.44966 hours remaining, 212.285156 MB of memory in use. ENERGY: 3244600 764.7645 2103.5469 1919.6780 118.8945 -206375.7481 17764.1088 0.0000 0.0000 34203.0120 -149501.7435 298.7034 -183704.7554 -149401.5524 298.7411 -119.2887 -86.9165 556850.0366 3.4545 3.4801 PRESSURE: 3244800 35.3943 251.608 -97.044 251.608 -43.1547 78.0692 -97.0435 78.0688 258.981 GPRESSURE: 3244800 74.6056 281.841 -125.198 145.551 19.5052 106.608 -16.3654 62.8638 257.16 PRESSAVG: 3244800 22.9302 -6.4854 -22.0804 -6.48547 49.92 38.0699 -22.0804 38.0699 -31.6154 GPRESSAVG: 3244800 23.7023 -8.32563 -20.9313 -6.26643 49.5198 37.7833 -22.9157 38.9967 -32.1017 TIMING: 3244800 CPU: 9770.68, 0.00298686/step Wall: 9770.68, 0.00298686/step, 1.45626 hours remaining, 212.285156 MB of memory in use. ENERGY: 3244800 756.1072 2103.1450 1928.3781 118.2867 -206585.4543 17983.7321 0.0000 0.0000 34217.0631 -149478.7421 298.8261 -183695.8052 -149384.3239 298.4951 83.7402 117.0902 556675.2012 13.7449 13.7068 PRESSURE: 3245000 173.723 -130.771 82.5184 -130.772 -251.318 51.4106 82.5173 51.411 -208.149 GPRESSURE: 3245000 271.914 -118.605 101.501 -96.7542 -234.038 118.7 127.642 27.8698 -233.784 PRESSAVG: 3245000 -47.4332 -28.5462 27.8318 -28.5461 81.1842 33.8912 27.8319 33.8912 -36.1521 GPRESSAVG: 3245000 -46.9838 -26.2054 30.3403 -28.6403 81.3317 32.2438 26.8001 35.475 -36.3741 TIMING: 3245000 CPU: 9771.29, 0.00303479/step Wall: 9771.29, 0.00303479/step, 1.47946 hours remaining, 212.285156 MB of memory in use. ENERGY: 3245000 736.0685 2120.8080 1920.8969 107.0558 -206108.5470 17694.0854 0.0000 0.0000 34045.9815 -149483.6508 297.3320 -183529.6324 -149392.3914 297.8309 -95.2481 -65.3026 557680.4161 -0.8004 -0.6754 PRESSURE: 3245200 -209.75 -82.6453 -59.3376 -82.6445 -208.798 -157.097 -59.338 -157.097 -301.292 GPRESSURE: 3245200 -196.271 -172.614 -5.75539 -83.9498 -130.676 -164.444 -83.0013 -214.435 -293.496 PRESSAVG: 3245200 23.7288 -8.79497 -41.0223 -8.79493 16.8612 36.2297 -41.0223 36.2298 -65.3694 GPRESSAVG: 3245200 23.5987 -10.2365 -44.0995 -7.80443 17.0619 36.9004 -40.9573 35.7309 -65.2524 TIMING: 3245200 CPU: 9771.89, 0.00302804/step Wall: 9771.89, 0.00302804/step, 1.476 hours remaining, 212.285156 MB of memory in use. ENERGY: 3245200 768.4122 2130.2915 1926.8512 109.5790 -206033.8221 17524.7075 0.0000 0.0000 34151.6166 -149422.3642 298.2546 -183573.9808 -149327.9468 298.4072 -239.9467 -206.8142 557265.2465 -8.2598 -8.1973 PRESSURE: 3245400 121.186 -101.205 -120.564 -101.205 -115.898 29.6792 -120.565 29.6795 123.423 GPRESSURE: 3245400 163.384 -170.925 -18.7925 -49.0258 -76.608 13.7337 -157.46 11.6538 138.699 PRESSAVG: 3245400 -8.21365 -15.5967 -50.8064 -15.5967 -25.1852 2.93444 -50.8064 2.9344 15.2598 GPRESSAVG: 3245400 -6.80995 -14.0985 -49.7541 -15.4246 -25.8361 3.94599 -50.3737 3.14054 14.5103 TIMING: 3245400 CPU: 9772.49, 0.00301245/step Wall: 9772.49, 0.00301245/step, 1.46824 hours remaining, 212.285156 MB of memory in use. ENERGY: 3245400 741.2891 2114.6580 1943.4882 124.5408 -206627.5149 17765.4879 0.0000 0.0000 34408.1984 -149529.8525 300.4954 -183938.0509 -149428.7063 298.4906 42.9037 75.1585 555974.2962 -6.0464 -6.0452 PRESSURE: 3245600 50.016 -11.0399 -84.7022 -11.0393 42.6293 92.5357 -84.7031 92.5364 -96.5747 GPRESSURE: 3245600 83.4865 -23.4049 -89.3797 9.70425 14.4446 78.1085 -84.4144 97.887 -6.64608 PRESSAVG: 3245600 -1.37505 -2.63527 32.9767 -2.63533 -21.692 2.63874 32.9766 2.63864 13.4478 GPRESSAVG: 3245600 -2.10343 -3.98463 30.8038 -2.63928 -22.4329 0.868006 34.8257 3.26157 15.0189 TIMING: 3245600 CPU: 9773.09, 0.00298537/step Wall: 9773.09, 0.00298537/step, 1.45487 hours remaining, 212.285156 MB of memory in use. ENERGY: 3245600 743.2244 2134.3741 1917.9434 125.5507 -206405.7148 17748.0410 0.0000 0.0000 34308.9774 -149427.6039 299.6288 -183736.5813 -149334.9770 299.1081 -1.3098 30.4283 556634.8377 -3.2064 -3.1725 PRESSURE: 3245800 283.078 -41.8208 157.639 -41.82 6.26922 99.1749 157.64 99.1762 406.569 GPRESSURE: 3245800 279.899 -28.9063 212.193 -135.84 47.3974 87.5434 176.63 108.01 481.489 PRESSAVG: 3245800 52.2965 -46.7909 54.54 -46.7909 -76.0939 27.0029 54.54 27.003 -7.67978 GPRESSAVG: 3245800 51.6761 -45.4017 56.212 -47.2932 -75.2628 29.0584 53.2328 25.9552 -8.15062 TIMING: 3245800 CPU: 9773.7, 0.00302002/step Wall: 9773.7, 0.00302002/step, 1.47159 hours remaining, 212.285156 MB of memory in use. ENERGY: 3245800 755.4136 2039.0082 1960.1629 103.6342 -207088.3399 18374.9179 0.0000 0.0000 34459.4924 -149395.7107 300.9433 -183855.2031 -149296.6116 299.0666 231.9722 269.5954 554928.6288 -10.4924 -10.5791 PRESSURE: 3246000 202.352 -11.3074 49.3647 -11.3077 343.602 -110.748 49.3641 -110.748 -95.947 GPRESSURE: 3246000 261.727 -49.7074 25.2249 33.1839 367.658 -129.977 61.1657 -116.594 -80.0433 PRESSAVG: 3246000 -3.29942 -31.6514 56.0303 -31.6515 31.3895 21.4704 56.0303 21.4703 29.9072 GPRESSAVG: 3246000 -2.95538 -34.7688 53.328 -30.1435 31.0997 22.2576 58.5861 21.9564 30.0493 TIMING: 3246000 CPU: 9774.3, 0.00300908/step Wall: 9774.3, 0.00300908/step, 1.46609 hours remaining, 212.285156 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: 3246000 760.2867 2064.2812 1932.9267 125.4639 -206391.1489 17998.6156 0.0000 0.0000 34281.0558 -149228.5190 299.3850 -183509.5747 -149134.6504 299.1851 150.0023 183.1138 555152.7828 19.3324 19.3979 PRESSURE: 3246200 -323.401 35.7648 60.5379 35.7658 55.5654 75.4226 60.5375 75.4207 61.0483 GPRESSURE: 3246200 -261.06 -17.2257 -7.77047 41.7573 30.4807 80.6705 -27.9969 -19.3669 122.716 PRESSAVG: 3246200 59.8179 13.5641 -5.0234 13.5642 -6.97561 -18.5066 -5.02337 -18.5066 -41.8622 GPRESSAVG: 3246200 60.4107 15.3209 -2.9556 12.155 -7.20654 -18.5255 -7.58538 -16.7922 -42.1524 TIMING: 3246200 CPU: 9774.9, 0.00299652/step Wall: 9774.9, 0.00299652/step, 1.45981 hours remaining, 212.285156 MB of memory in use. ENERGY: 3246200 733.0493 2083.2125 1931.3796 116.9029 -205659.4610 17474.7246 0.0000 0.0000 34136.7127 -149183.4793 298.1244 -183320.1920 -149082.9921 299.4568 -68.9291 -35.9544 557104.3072 3.6600 3.6839 PRESSURE: 3246400 115.737 246.945 78.8568 246.945 -30.0968 -11.961 78.8567 -11.9613 -219.713 GPRESSURE: 3246400 129.633 170.213 19.7231 231.922 -29.2822 -109.405 48.3907 -14.3795 -139.947 PRESSAVG: 3246400 67.3071 61.0859 -3.14478 61.0858 -35.9949 29.797 -3.14484 29.7969 -62.7998 GPRESSAVG: 3246400 66.8756 60.5045 -3.28588 61.7465 -35.9845 29.5289 -4.33813 26.0298 -61.5345 TIMING: 3246400 CPU: 9775.5, 0.00300518/step Wall: 9775.5, 0.00300518/step, 1.46386 hours remaining, 212.285156 MB of memory in use. ENERGY: 3246400 761.3060 2015.8425 1941.3046 121.5762 -205452.2681 17553.8184 0.0000 0.0000 34010.5774 -149047.8431 297.0228 -183058.4205 -148951.5362 299.8855 -44.6911 -13.1988 556870.8858 -10.4959 -10.2145 PRESSURE: 3246600 -233.214 156.822 -220.095 156.823 -76.5247 58.0286 -220.095 58.0295 174.952 GPRESSURE: 3246600 -151.055 156.075 -163.018 145.414 -28.3979 7.31091 -104.37 6.46299 160.282 PRESSAVG: 3246600 30.7659 40.3145 12.2127 40.3145 -20.7938 4.85431 12.2126 4.85438 -36.3614 GPRESSAVG: 3246600 29.4678 38.1261 10.9415 41.1916 -18.911 4.05028 13.9511 7.37101 -37.0915 TIMING: 3246600 CPU: 9776.1, 0.00300262/step Wall: 9776.1, 0.00300262/step, 1.46244 hours remaining, 212.285156 MB of memory in use. ENERGY: 3246600 725.4897 2090.9519 1944.9221 110.8749 -206069.9011 17728.0715 0.0000 0.0000 34209.6881 -149259.9029 298.7617 -183469.5910 -149154.3137 299.1712 -44.9290 -6.3900 556352.8214 -8.7964 -8.8449 PRESSURE: 3246800 -48.9188 130.681 20.3533 130.68 120.119 188.645 20.3532 188.644 68.6869 GPRESSURE: 3246800 9.73472 204.75 139.335 131.657 96.5681 134.102 -61.1154 280.627 133.975 PRESSAVG: 3246800 -48.6905 35.3881 59.8492 35.3881 27.3023 77.6534 59.8492 77.6535 48.4099 GPRESSAVG: 3246800 -48.6034 37.5114 61.8819 33.7333 27.3997 77.952 59.1783 77.3979 48.2449 TIMING: 3246800 CPU: 9776.69, 0.00298229/step Wall: 9776.69, 0.00298229/step, 1.45237 hours remaining, 212.285156 MB of memory in use. ENERGY: 3246800 744.6440 2074.2920 1906.1815 120.5106 -206636.9139 17858.2726 0.0000 0.0000 34597.6329 -149335.3803 302.1497 -183933.0132 -149237.8828 299.3027 46.6292 80.0926 554846.1906 9.0072 9.0137 PRESSURE: 3247000 -196.642 6.04267 125.986 6.04294 -69.6755 -4.19798 125.987 -4.19857 -16.3722 GPRESSURE: 3247000 -145.761 76.8391 98.7077 -49.4663 -70.0034 -53.3277 14.021 30.9988 24.9138 PRESSAVG: 3247000 8.99495 71.7737 -24.0858 71.7737 24.1525 -19.7249 -24.0857 -19.7249 -36.1192 GPRESSAVG: 3247000 9.28487 72.9789 -26.7146 72.0322 22.4405 -19.4094 -24.1143 -20.1728 -34.7984 TIMING: 3247000 CPU: 9777.29, 0.00298437/step Wall: 9777.29, 0.00298437/step, 1.45322 hours remaining, 212.285156 MB of memory in use. ENERGY: 3247000 733.6534 2069.7222 1926.0415 113.3982 -206078.9517 17699.3173 0.0000 0.0000 34166.0032 -149370.8159 298.3802 -183536.8191 -149277.2261 299.3258 -94.2298 -63.6168 556714.3838 -0.9906 -1.0244 PRESSURE: 3247200 -235.526 120.097 -13.3057 120.096 -129.804 -165.909 -13.3063 -165.908 38.7534 GPRESSURE: 3247200 -194.626 45.0791 41.3875 82.5236 -86.7518 -249.174 -20.5897 -137.026 67.7967 PRESSAVG: 3247200 -34.7547 0.901165 3.51776 0.901243 -38.4072 -0.0784207 3.51772 -0.078423 54.8215 GPRESSAVG: 3247200 -35.4969 0.939694 5.08441 -0.0660481 -36.2958 -0.365564 3.61429 -0.825157 54.2871 TIMING: 3247200 CPU: 9777.88, 0.00296499/step Wall: 9777.88, 0.00296499/step, 1.44362 hours remaining, 212.285156 MB of memory in use. ENERGY: 3247200 769.0851 2088.8327 1947.9725 124.0270 -206306.5748 17687.0301 0.0000 0.0000 34300.3421 -149389.2852 299.5534 -183689.6273 -149288.2924 299.2347 -108.8590 -71.1938 555339.2167 -6.1134 -5.8352 PRESSURE: 3247400 -59.7446 -90.0823 10.4736 -90.0813 -218.201 -49.6785 10.4733 -49.6784 -76.2245 GPRESSURE: 3247400 -71.994 -83.7013 59.1053 -42.8144 -163.843 -19.5101 -54.2026 -124.834 -27.9888 PRESSAVG: 3247400 75.2621 -10.0604 -19.5829 -10.0604 8.60183 -22.3596 -19.5829 -22.3596 -85.5219 GPRESSAVG: 3247400 74.9744 -11.0853 -19.2498 -8.29473 8.12268 -23.5048 -20.5536 -23.2307 -84.607 TIMING: 3247400 CPU: 9778.48, 0.00298233/step Wall: 9778.48, 0.00298233/step, 1.4519 hours remaining, 212.285156 MB of memory in use. ENERGY: 3247400 761.5693 2105.0628 1922.3763 102.5126 -206392.4463 17738.7801 0.0000 0.0000 34155.9268 -149606.2184 298.2922 -183762.1452 -149511.3488 298.4679 -118.0566 -87.9419 557841.1229 -0.5527 -0.5033 PRESSURE: 3247600 -81.5924 73.7352 49.8016 73.7369 48.4574 91.3231 49.8023 91.3243 291.504 GPRESSURE: 3247600 -20.0183 71.6504 18.5495 43.5963 69.3853 148.975 73.1961 101.979 317.274 PRESSAVG: 3247600 17.3358 33.82 -17.0966 33.8201 41.15 9.91266 -17.0966 9.91273 -53.6423 GPRESSAVG: 3247600 19.6922 32.7279 -17.5688 34.6249 39.6433 10.7571 -17.5698 10.2488 -54.2035 TIMING: 3247600 CPU: 9779.08, 0.00301345/step Wall: 9779.08, 0.00301345/step, 1.46688 hours remaining, 212.285156 MB of memory in use. ENERGY: 3247600 756.2773 2038.8534 1946.2196 119.0303 -206560.0848 18029.6652 0.0000 0.0000 34117.0670 -149552.9720 297.9528 -183670.0390 -149448.9170 298.2086 86.1230 122.2136 556502.0703 1.6145 1.7107 PRESSURE: 3247800 51.6204 -57.377 -61.9862 -57.3768 -141.762 142.243 -61.9846 142.242 -102.765 GPRESSURE: 3247800 45.2099 -31.1373 -160.745 -85.6296 -60.3945 153.234 -84.3078 64.6452 -72.444 PRESSAVG: 3247800 63.5788 -20.2606 7.32438 -20.2606 -68.8696 -12.7151 7.32431 -12.7152 16.493 GPRESSAVG: 3247800 62.1497 -20.1803 6.084 -21.5123 -68.3102 -13.3043 7.63828 -11.8214 17.0009 TIMING: 3247800 CPU: 9779.69, 0.00302341/step Wall: 9779.69, 0.00302341/step, 1.47156 hours remaining, 212.285156 MB of memory in use. ENERGY: 3247800 749.2887 2099.7259 1938.5565 105.6659 -206478.6789 17952.0611 0.0000 0.0000 34064.9672 -149568.4136 297.4978 -183633.3808 -149478.9950 298.5153 -64.3022 -29.2095 559137.1460 3.7341 3.6135 PRESSURE: 3248000 -218.252 34.609 36.6833 34.6103 -119.468 -110.062 36.6826 -110.062 276.864 GPRESSURE: 3248000 -159.829 97.3434 8.50136 40.1158 -95.711 -222.556 0.307221 -57.6383 289.762 PRESSAVG: 3248000 16.8288 12.4942 -34.6943 12.4942 -25.1312 -17.2711 -34.6944 -17.2709 6.86219 GPRESSAVG: 3248000 16.7811 14.0509 -33.2422 12.7661 -23.6286 -17.4034 -33.6385 -16.4188 5.39148 TIMING: 3248000 CPU: 9780.29, 0.00301684/step Wall: 9780.29, 0.00301684/step, 1.4682 hours remaining, 212.285156 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: 3248000 817.7684 2072.9679 1940.9026 108.9693 -206813.5802 18045.7797 0.0000 0.0000 34129.5090 -149697.6833 298.0615 -183827.1923 -149602.5309 297.8647 -20.2856 11.4074 557162.7763 -0.4801 -0.4853 PRESSURE: 3248200 -168.977 -62.0535 -91.6348 -62.0529 -214.124 -103.698 -91.635 -103.697 -169.72 GPRESSURE: 3248200 -133.476 -36.3417 -69.0979 -34.3688 -166.145 -65.1602 -100.288 -84.4323 -154.386 PRESSAVG: 3248200 55.1094 29.5773 4.06782 29.5773 38.8312 -69.8384 4.06775 -69.8384 -38.8611 GPRESSAVG: 3248200 56.1112 29.9131 3.29346 29.3996 36.9226 -70.467 2.9786 -70.9384 -38.2398 TIMING: 3248200 CPU: 9780.89, 0.0030183/step Wall: 9780.89, 0.0030183/step, 1.46874 hours remaining, 212.285156 MB of memory in use. ENERGY: 3248200 759.5369 2042.2645 1944.9234 124.5736 -206067.5512 17629.7008 0.0000 0.0000 34056.3879 -149510.1641 297.4229 -183566.5520 -149415.1030 297.8102 -184.2736 -151.3358 558307.0856 18.3598 18.2647 LDB: ============= START OF LOAD BALANCING ============== 9784.41 LDB: ============== END OF LOAD BALANCING =============== 9784.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9784.41 LDB: ============= START OF LOAD BALANCING ============== 9784.71 LDB: Largest compute 4802 load 0.031329 is 26.5% of average load 0.118088 LDB: Average compute 0.001731 is 1.5% of average load 0.118088 LDB: TIME 9784.72 LOAD: AVG 0.118088 MAX 0.210719 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.926 MB LDB: TIME 9784.72 LOAD: AVG 0.118088 MAX 0.210719 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.926 MB LDB: TIME 9784.72 LOAD: AVG 0.118088 MAX 0.210719 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.926 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9784.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9784.72 PRESSURE: 3248400 -144.245 59.5008 33.9087 59.5008 -49.8018 181.715 33.908 181.716 -68.2956 GPRESSURE: 3248400 -108.894 92.4881 23.6402 80.8698 -35.8023 105.786 48.65 191.642 -17.7812 PRESSAVG: 3248400 -26.6928 28.5078 1.07397 28.5078 55.0292 -21.5104 1.07414 -21.5104 -66.9497 GPRESSAVG: 3248400 -27.2947 27.1398 -0.846784 29.3096 54.9089 -22.3383 2.09469 -22.1687 -66.4584 TIMING: 3248400 CPU: 9781.51, 0.0030626/step Wall: 9781.51, 0.0030626/step, 1.49013 hours remaining, 209.281250 MB of memory in use. ENERGY: 3248400 758.5579 2089.3728 1896.7667 103.8412 -206124.4158 17732.6243 0.0000 0.0000 33992.3681 -149550.8848 296.8638 -183543.2529 -149452.7177 298.1449 -87.4476 -54.1590 558266.6816 -12.8711 -12.9481 PRESSURE: 3248600 -96.3586 -11.759 -41.1361 -11.7588 41.4563 -69.8465 -41.1368 -69.8462 -271.384 GPRESSURE: 3248600 -55.5482 -72.6819 -59.7918 20.287 90.2247 -182.52 -176.634 47.8875 -255.733 PRESSAVG: 3248600 13.5852 -26.5943 10.0733 -26.5944 -31.513 -23.7164 10.0733 -23.7165 -36.4193 GPRESSAVG: 3248600 13.5652 -26.9884 11.7714 -27.5304 -30.1526 -22.0444 9.02379 -23.4875 -37.0409 TIMING: 3248600 CPU: 9782.11, 0.00299772/step Wall: 9782.11, 0.00299772/step, 1.45839 hours remaining, 209.351562 MB of memory in use. ENERGY: 3248600 682.2340 2125.7981 1937.9760 108.1782 -205928.9854 17520.1288 0.0000 0.0000 34052.1090 -149502.5612 297.3855 -183554.6702 -149406.6592 298.4807 -108.7621 -73.6856 558851.8369 -18.1157 -17.8761 PRESSURE: 3248800 150.978 133.437 -56.8656 133.437 236.75 -16.289 -56.8664 -16.2905 -73.6384 GPRESSURE: 3248800 146.668 77.0837 -119.205 255.927 280.911 -36.4578 10.3053 5.37176 -15.9625 PRESSAVG: 3248800 13.975 -5.03012 -72.1473 -5.03016 -45.712 11.8819 -72.1473 11.8818 -0.377103 GPRESSAVG: 3248800 15.6928 -2.05663 -72.5277 -5.54517 -46.9834 12.5017 -70.6439 12.2577 -0.701633 TIMING: 3248800 CPU: 9782.7, 0.00298796/step Wall: 9782.7, 0.00298796/step, 1.45347 hours remaining, 209.351562 MB of memory in use. ENERGY: 3248800 708.1396 2116.9044 1939.0783 119.4985 -206581.4651 18036.7791 0.0000 0.0000 34138.4277 -149522.6375 298.1394 -183661.0652 -149431.4483 297.8713 104.6964 137.2055 558036.9237 -10.7047 -10.6641 PRESSURE: 3249000 -312.825 33.3304 -100.608 33.3297 -19.1946 59.2968 -100.608 59.295 -76.9818 GPRESSURE: 3249000 -316.392 95.5164 -109.011 -47.0543 22.9832 102.908 -74.4292 63.2004 -14.6807 PRESSAVG: 3249000 -42.8188 -51.7407 10.3183 -51.7407 -56.5357 39.8467 10.3184 39.8468 111.546 GPRESSAVG: 3249000 -43.8108 -54.1028 10.0111 -51.357 -56.4556 36.9709 9.51146 40.8547 112.823 TIMING: 3249000 CPU: 9783.3, 0.00299943/step Wall: 9783.3, 0.00299943/step, 1.45889 hours remaining, 209.351562 MB of memory in use. ENERGY: 3249000 755.9991 2123.7924 1950.1131 108.2526 -206252.6928 17678.8689 0.0000 0.0000 34130.6673 -149504.9994 298.0716 -183635.6667 -149414.3649 298.4105 -136.3339 -102.6967 556380.1075 4.0639 4.1855 PRESSURE: 3249200 -131.15 -8.87241 -214.558 -8.8727 110.567 140.835 -214.558 140.836 -4.67928 GPRESSURE: 3249200 -97.8168 -87.2485 -241.448 15.0134 124.145 231.596 -174.692 85.9313 48.3051 PRESSAVG: 3249200 -39.3423 -3.19652 -46.3773 -3.19646 16.9147 14.6039 -46.3772 14.6039 19.0643 GPRESSAVG: 3249200 -38.8413 -3.10958 -46.5359 -1.60784 16.7947 16.8208 -46.3283 12.8831 19.0964 TIMING: 3249200 CPU: 9783.9, 0.00300159/step Wall: 9783.9, 0.00300159/step, 1.45977 hours remaining, 209.351562 MB of memory in use. ENERGY: 3249200 746.9182 2116.4284 1915.3472 108.4697 -206316.4622 17833.2347 0.0000 0.0000 34437.5169 -149158.5472 300.7514 -183596.0640 -149052.4768 298.6473 -8.4208 24.8777 556900.7250 -1.1211 -0.9834 PRESSURE: 3249400 -118.674 43.4577 -152.401 43.4574 49.6247 -116.708 -152.4 -116.709 81.5175 GPRESSURE: 3249400 -79.9421 161.527 -202.306 -62.0123 131.282 -41.3148 -76.309 -102.019 60.0372 PRESSAVG: 3249400 -10.4367 -32.6918 -33.7378 -32.692 -0.444101 21.8002 -33.7377 21.8003 59.856 GPRESSAVG: 3249400 -9.97331 -30.729 -32.5034 -33.8892 0.256993 20.3889 -33.3011 22.7913 58.8522 TIMING: 3249400 CPU: 9784.5, 0.0029811/step Wall: 9784.5, 0.0029811/step, 1.44964 hours remaining, 209.351562 MB of memory in use. ENERGY: 3249400 743.9845 2113.6139 1950.4755 120.6316 -206256.2781 17965.9510 0.0000 0.0000 34373.7002 -148987.9214 300.1941 -183361.6215 -148886.1372 299.2162 4.1561 37.1258 557755.1475 16.3251 16.3786 PRESSURE: 3249600 -266.052 59.3394 -72.482 59.3397 29.1307 -15.3998 -72.4822 -15.3998 -66.7687 GPRESSURE: 3249600 -236.24 53.5525 -6.84613 40.3921 70.4257 -99.1148 -78.8763 49.1525 -50.5372 PRESSAVG: 3249600 -64.5053 10.45 7.62796 10.4501 26.0757 11.0428 7.62801 11.0428 34.4995 GPRESSAVG: 3249600 -64.5119 8.56051 7.71646 11.4149 25.8592 11.774 7.69009 10.3398 34.9426 TIMING: 3249600 CPU: 9785.1, 0.00301814/step Wall: 9785.1, 0.00301814/step, 1.46749 hours remaining, 209.351562 MB of memory in use. ENERGY: 3249600 763.2136 2118.9930 1966.5491 122.1828 -206029.6992 17772.0434 0.0000 0.0000 34365.4546 -148921.2627 300.1221 -183286.7173 -148824.9892 300.2470 -101.2300 -72.1171 559716.4109 -1.3100 -1.2367 PRESSURE: 3249800 42.4757 -89.4244 -71.7955 -89.4241 -162.751 74.0482 -71.7949 74.0496 -61.8939 GPRESSURE: 3249800 51.2049 -102.265 -120.17 -86.4738 -136.148 88.1243 -18.3541 58.8507 -3.67202 PRESSAVG: 3249800 -12.0471 -59.1576 15.8693 -59.1576 -4.22492 12.0543 15.8692 12.0541 38.0813 GPRESSAVG: 3249800 -12.2874 -57.0441 15.5003 -58.911 -3.9899 11.2068 16.0577 12.2031 37.838 TIMING: 3249800 CPU: 9785.71, 0.00300188/step Wall: 9785.71, 0.00300188/step, 1.45941 hours remaining, 209.351562 MB of memory in use. ENERGY: 3249800 750.8502 2103.9698 1974.8865 120.9210 -206176.6588 17714.6110 0.0000 0.0000 34397.2013 -149114.2190 300.3993 -183511.4203 -149015.3521 299.8163 -60.7231 -29.5383 557613.3682 7.2698 7.1869 PRESSURE: 3250000 -96.4939 116.084 -84.5052 116.084 78.357 58.4969 -84.5057 58.4959 -148.342 GPRESSURE: 3250000 -50.5391 98.7287 -63.0723 106.952 77.3624 59.5475 -90.3582 107.349 -108.888 PRESSAVG: 3250000 -9.75173 -16.5152 -64.0288 -16.5152 -2.58645 38.1412 -64.0287 38.1411 -5.72752 GPRESSAVG: 3250000 -9.69998 -17.9734 -61.9858 -14.4376 -2.50865 39.837 -65.566 37.4612 -6.13684 TIMING: 3250000 CPU: 9786.3, 0.00299091/step Wall: 9786.3, 0.00299091/step, 1.45391 hours remaining, 209.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3250000 740.3610 2150.6933 1942.3665 111.2679 -206201.9888 17711.6765 0.0000 0.0000 34259.6355 -149285.9882 299.1979 -183545.6237 -149197.3344 299.0783 -55.4930 -27.3549 558331.5554 -6.0219 -6.1152 PRESSURE: 3250200 -174.737 -232.172 -198.392 -232.171 70.7194 -13.6158 -198.393 -13.6173 -13.4784 GPRESSURE: 3250200 -107.418 -271.999 -174.698 -247.459 121.227 14.5109 -183.608 -28.8685 -30.0382 PRESSAVG: 3250200 61.817 -21.6793 -60.2687 -21.6793 -21.4175 47.8554 -60.2687 47.8554 -33.3113 GPRESSAVG: 3250200 61.2602 -21.0368 -63.5737 -23.0422 -22.6141 48.0074 -59.0918 45.8762 -31.6039 TIMING: 3250200 CPU: 9786.91, 0.00301954/step Wall: 9786.91, 0.00301954/step, 1.46766 hours remaining, 209.351562 MB of memory in use. ENERGY: 3250200 755.8466 2035.7251 1949.0141 108.5126 -206421.0074 17924.8071 0.0000 0.0000 34347.8249 -149299.2769 299.9681 -183647.1019 -149201.8537 298.9541 -39.1653 -5.4096 557317.4822 2.3627 2.3474 PRESSURE: 3250400 148.727 53.4118 -50.5454 53.4111 -57.2102 24.4445 -50.5454 24.4447 -221.001 GPRESSURE: 3250400 203.936 28.8811 -41.8487 139.687 -82.7162 -29.8584 -10.4267 26.3027 -147.634 PRESSAVG: 3250400 -27.4803 -27.7859 -4.87276 -27.786 19.9055 16.1559 -4.87276 16.1559 10.8714 GPRESSAVG: 3250400 -26.535 -27.4488 -3.69703 -30.8008 21.3979 14.2673 -7.02413 18.4764 8.65227 TIMING: 3250400 CPU: 9787.51, 0.00302852/step Wall: 9787.51, 0.00302852/step, 1.47186 hours remaining, 209.351562 MB of memory in use. ENERGY: 3250400 732.4345 2142.3420 1975.1220 123.8301 -206547.0342 17840.1939 0.0000 0.0000 34174.0279 -149559.0838 298.4503 -183733.1117 -149477.0102 299.1620 -43.1616 -8.8046 557646.1124 1.0989 1.1717 PRESSURE: 3250600 208.113 -44.158 -45.9563 -44.1568 -69.9727 241.557 -45.9568 241.557 -37.0635 GPRESSURE: 3250600 252.702 -23.2068 -33.3853 -90.8543 -51.6259 284.099 -59.4116 251.605 3.39316 PRESSAVG: 3250600 19.9567 -22.274 -46.0094 -22.274 -53.7736 -8.81157 -46.0093 -8.81155 20.7539 GPRESSAVG: 3250600 18.4163 -23.0692 -45.274 -19.1107 -53.2019 -6.1574 -44.9348 -8.47544 22.0416 TIMING: 3250600 CPU: 9788.12, 0.00301165/step Wall: 9788.12, 0.00301165/step, 1.4635 hours remaining, 209.351562 MB of memory in use. ENERGY: 3250600 724.0572 2085.9412 1944.2107 112.5630 -206250.8294 17818.6355 0.0000 0.0000 34187.1125 -149378.3094 298.5646 -183565.4219 -149286.4401 298.3436 33.6921 68.1565 557345.1382 -4.3544 -4.2480 PRESSURE: 3250800 175 -2.54363 -36.8081 -2.54437 -17.1763 101.357 -36.8073 101.355 -189.21 GPRESSURE: 3250800 149.022 40.7616 -2.86157 -0.143665 51.1305 77.3206 -71.4889 104.449 -143.243 PRESSAVG: 3250800 0.378847 -1.77851 -4.04714 -1.77859 -7.21644 21.8074 -4.04716 21.8073 7.8282 GPRESSAVG: 3250800 -0.306418 -3.07309 -3.74133 -0.809328 -7.30135 21.0684 -4.62527 20.1874 8.45584 TIMING: 3250800 CPU: 9788.72, 0.00300392/step Wall: 9788.72, 0.00300392/step, 1.45957 hours remaining, 209.351562 MB of memory in use. ENERGY: 3250800 752.8182 2074.3312 1932.3009 111.0374 -206361.9128 17674.2830 0.0000 0.0000 34467.9349 -149349.2071 301.0170 -183817.1421 -149245.6974 298.9433 -10.4620 18.9698 557337.0059 0.3302 0.2827 PRESSURE: 3251000 -33.6323 44.2008 339.058 44.1998 53.3733 -13.2754 339.057 -13.2743 93.0021 GPRESSURE: 3251000 26.8228 -53.2071 363.307 131.382 73.4256 -55.9978 319.379 -12.3455 105.296 PRESSAVG: 3251000 88.1722 72.783 -11.2036 72.783 -45.5183 -40.7671 -11.2036 -40.7671 -25.7254 GPRESSAVG: 3251000 89.2553 72.0438 -11.0626 71.2926 -45.2537 -41.431 -11.1713 -39.331 -26.7771 TIMING: 3251000 CPU: 9789.32, 0.00300481/step Wall: 9789.32, 0.00300481/step, 1.45984 hours remaining, 209.351562 MB of memory in use. ENERGY: 3251000 725.0606 2019.1010 1965.4426 113.8175 -206208.1197 17910.5822 0.0000 0.0000 34236.9198 -149237.1959 298.9995 -183474.1157 -149134.5184 299.0214 37.5810 68.5149 557306.8744 5.6428 5.7415 PRESSURE: 3251200 -139.139 70.9431 13.082 70.9418 61.816 63.7378 13.0834 63.7379 -137.437 GPRESSURE: 3251200 -85.2752 31.5409 118.662 70.828 72.2543 49.1079 -89.6091 59.9051 -107.869 PRESSAVG: 3251200 3.19527 43.0032 25.5003 43.0032 24.29 23.317 25.5002 23.3171 -70.2601 GPRESSAVG: 3251200 3.96802 45.3259 25.6793 42.5049 23.7884 22.8311 24.5837 23.2978 -70.7634 TIMING: 3251200 CPU: 9789.91, 0.00297433/step Wall: 9789.91, 0.00297433/step, 1.44486 hours remaining, 209.351562 MB of memory in use. ENERGY: 3251200 725.1169 2083.5599 1937.2617 102.5717 -205803.3948 17513.1311 0.0000 0.0000 34285.5204 -149156.2331 299.4240 -183441.7535 -149050.4676 299.3120 -71.5866 -40.2968 557783.0869 -14.2583 -14.3357 PRESSURE: 3251400 -253.732 -8.74712 -76.6087 -8.74754 -109.847 110.655 -76.6092 110.656 -506.241 GPRESSURE: 3251400 -207.893 -50.3373 -22.926 -91.2151 -55.979 105.73 -135.179 140.796 -501.975 PRESSAVG: 3251400 49.8551 -28.6619 -0.694712 -28.6619 5.29973 -3.51608 -0.694594 -3.51612 -23.9309 GPRESSAVG: 3251400 49.4783 -29.6487 -2.82188 -29.8619 4.98202 -2.10904 1.97274 -4.04336 -23.4256 TIMING: 3251400 CPU: 9790.51, 0.00298114/step Wall: 9790.51, 0.00298114/step, 1.44801 hours remaining, 209.351562 MB of memory in use. ENERGY: 3251400 743.1326 2090.4867 1937.2724 114.2354 -205522.3066 17460.6086 0.0000 0.0000 34272.4146 -148904.1564 299.3095 -183176.5710 -148809.8983 300.2232 -289.9400 -255.2825 559153.8656 10.4080 10.3449 PRESSURE: 3251600 43.4251 -44.3185 -119.009 -44.3193 227.809 -188.461 -119.009 -188.462 215.575 GPRESSURE: 3251600 134.34 -63.2887 -69.4057 -8.50211 188.506 -123.822 -67.3231 -149.979 255.7 PRESSAVG: 3251600 -38.8014 -68.1795 11.1661 -68.1794 24.3264 -8.24036 11.1662 -8.24026 -2.96971 GPRESSAVG: 3251600 -37.9511 -67.8432 12.2641 -66.7009 24.0862 -8.28207 8.76656 -7.06632 -3.37886 TIMING: 3251600 CPU: 9791.11, 0.00299102/step Wall: 9791.11, 0.00299102/step, 1.45264 hours remaining, 209.351562 MB of memory in use. ENERGY: 3251600 686.2528 2118.7809 1953.7296 114.5448 -205901.6412 17828.6132 0.0000 0.0000 34452.2837 -148747.4362 300.8804 -183199.7199 -148651.6147 300.5881 162.2695 192.8485 557409.9882 -5.8149 -5.7479 PRESSURE: 3251800 -231.079 -124.239 83.5662 -124.24 -49.4541 -77.2231 83.5662 -77.2249 -88.9538 GPRESSURE: 3251800 -231.571 -143.85 66.4258 -118.738 11.9489 -43.5852 10.877 -64.445 -43.7892 PRESSAVG: 3251800 -57.4365 30.3252 -49.0475 30.3252 97.8083 -34.5054 -49.0475 -34.5054 -3.49413 GPRESSAVG: 3251800 -59.0762 29.5202 -49.9439 31.0322 98.9478 -35.1894 -47.9454 -34.9453 -2.91861 TIMING: 3251800 CPU: 9791.71, 0.00300359/step Wall: 9791.71, 0.00300359/step, 1.45857 hours remaining, 209.351562 MB of memory in use. ENERGY: 3251800 736.1354 2083.1459 1940.5148 116.9114 -205843.3827 17643.8755 0.0000 0.0000 34474.4334 -148848.3665 301.0738 -183322.7999 -148752.1793 300.9761 -123.1624 -87.8037 557765.4400 12.2925 12.3177 PRESSURE: 3252000 -278.334 -103.092 49.1628 -103.092 -54.9923 -106.201 49.162 -106.2 -184.273 GPRESSURE: 3252000 -303.447 -107.342 83.2954 -129.831 -2.20967 -191.447 -39.5082 -54.6196 -132.811 PRESSAVG: 3252000 2.7033 -46.5607 75.4219 -46.5607 79.3871 6.54648 75.422 6.54644 -66.2527 GPRESSAVG: 3252000 3.58824 -45.0865 76.7472 -46.7352 79.1847 5.43583 74.5217 6.10066 -66.5196 TIMING: 3252000 CPU: 9792.31, 0.00300601/step Wall: 9792.31, 0.00300601/step, 1.45958 hours remaining, 209.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3252000 768.1790 2118.3361 1948.9331 108.7300 -205816.7530 17633.6652 0.0000 0.0000 34414.6442 -148824.2654 300.5516 -183238.9096 -148729.5026 300.7627 -172.5331 -146.1561 558779.1106 5.2793 5.4178 PRESSURE: 3252200 -87.78 -82.0268 -24.103 -82.0275 -235.199 26.3626 -24.1026 26.3635 75.8343 GPRESSURE: 3252200 -33.9079 -28.1963 -5.93646 -25.6624 -198.1 57.3472 -103.787 -42.0719 81.0735 PRESSAVG: 3252200 1.43038 20.4737 9.16455 20.4736 -32.2907 46.6785 9.16447 46.6785 -36.751 GPRESSAVG: 3252200 1.5396 19.1962 8.09043 21.9397 -33.362 46.4472 10.9846 46.7625 -36.0635 TIMING: 3252200 CPU: 9792.91, 0.00299127/step Wall: 9792.91, 0.00299127/step, 1.45226 hours remaining, 209.351562 MB of memory in use. ENERGY: 3252200 741.3363 2105.6252 1927.5937 118.5514 -206036.4181 17635.4279 0.0000 0.0000 34522.1234 -148985.7602 301.4903 -183507.8836 -148889.0231 299.6731 -82.3815 -50.3114 558567.8547 -22.5371 -22.6286 LDB: ============= START OF LOAD BALANCING ============== 9796.43 LDB: ============== END OF LOAD BALANCING =============== 9796.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9796.43 LDB: ============= START OF LOAD BALANCING ============== 9796.73 LDB: Largest compute 4802 load 0.031383 is 26.6% of average load 0.118187 LDB: Average compute 0.001730 is 1.5% of average load 0.118187 LDB: TIME 9796.73 LOAD: AVG 0.118187 MAX 0.20809 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.848 MB LDB: TIME 9796.73 LOAD: AVG 0.118187 MAX 0.20809 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.098 MB LDB: TIME 9796.73 LOAD: AVG 0.118187 MAX 0.20809 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.098 MB LDB: ============== END OF LOAD BALANCING =============== 9796.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9796.74 PRESSURE: 3252400 12.2924 -108.878 206.216 -108.879 150.193 -151.509 206.218 -151.508 276.116 GPRESSURE: 3252400 39.3309 -63.3699 266.981 -138.912 160.359 -191.934 117.775 -152.358 347.866 PRESSAVG: 3252400 43.2779 -24.8187 -10.7006 -24.8187 -43.3533 -1.13989 -10.7005 -1.13983 4.73554 GPRESSAVG: 3252400 42.7814 -23.4603 -10.7828 -25.7963 -43.1906 0.146622 -10.012 -0.227391 4.72027 TIMING: 3252400 CPU: 9793.52, 0.00307856/step Wall: 9793.52, 0.00307856/step, 1.49447 hours remaining, 210.480469 MB of memory in use. ENERGY: 3252400 775.4698 2073.7131 1959.3870 110.5433 -206163.4381 17973.9836 0.0000 0.0000 34323.3593 -148946.9820 299.7544 -183270.3413 -148853.2821 300.5914 146.2005 182.5187 557846.2994 1.5534 1.4370 PRESSURE: 3252600 -13.4625 -5.60209 53.8912 -5.60227 29.5545 203.539 53.8899 203.54 -210.585 GPRESSURE: 3252600 1.138 -34.1915 51.7785 31.2553 52.1693 154.544 70.8341 257.799 -140.482 PRESSAVG: 3252600 -33.6521 18.2441 85.518 18.2441 -51.1237 -11.6652 85.5181 -11.6652 97.0085 GPRESSAVG: 3252600 -33.3429 17.9725 86.8378 17.82 -51.3231 -12.977 83.2043 -10.7792 97.3073 TIMING: 3252600 CPU: 9794.13, 0.00301776/step Wall: 9794.13, 0.00301776/step, 1.46479 hours remaining, 211.000000 MB of memory in use. ENERGY: 3252600 750.3168 2112.2083 1945.0609 117.3928 -205753.4137 17691.4588 0.0000 0.0000 34276.8043 -148860.1718 299.3479 -183136.9760 -148763.9561 299.4169 -64.8310 -29.0583 559286.3294 4.0776 4.2138 PRESSURE: 3252800 184.151 209.259 -99.052 209.258 288.595 50.1991 -99.0506 50.1979 58.1244 GPRESSURE: 3252800 203.421 179.184 -94.5945 185.831 307.204 -18.597 -97.1731 79.4365 100.946 PRESSAVG: 3252800 58.0469 31.5671 47.8298 31.5671 -24.5861 -22.3997 47.8298 -22.3998 -0.828167 GPRESSAVG: 3252800 59.1136 30.1344 48.155 31.7022 -24.8182 -21.3546 49.8145 -22.6049 -1.8213 TIMING: 3252800 CPU: 9794.73, 0.00302192/step Wall: 9794.73, 0.00302192/step, 1.46664 hours remaining, 211.000000 MB of memory in use. ENERGY: 3252800 715.5096 2118.6665 1937.0735 116.2470 -205790.6931 17723.4627 0.0000 0.0000 34406.9207 -148772.8130 300.4842 -183179.7337 -148681.1424 300.0557 176.9568 203.8571 557933.9862 10.8775 10.8247 PRESSURE: 3253000 120.581 29.4685 -117.299 29.4684 186.198 90.5447 -117.301 90.5465 262.188 GPRESSURE: 3253000 139.02 -9.40664 -69.6222 148.034 231.994 126.981 -150.376 117.261 304.859 PRESSAVG: 3253000 -13.3476 52.9308 -39.8051 52.9308 48.1369 -9.03444 -39.8051 -9.03423 8.31736 GPRESSAVG: 3253000 -15.4454 55.4749 -40.0829 52.2896 48.9062 -9.07525 -42.2462 -8.36574 9.36247 TIMING: 3253000 CPU: 9795.34, 0.00303628/step Wall: 9795.34, 0.00303628/step, 1.47344 hours remaining, 211.000000 MB of memory in use. ENERGY: 3253000 764.7722 2135.8807 1963.0823 106.4146 -206224.4399 18211.3099 0.0000 0.0000 34142.7656 -148900.2146 298.1773 -183042.9801 -148807.1442 300.2087 189.6554 225.2910 557747.2955 14.3689 14.2744 PRESSURE: 3253200 -352.156 -43.9681 -37.0209 -43.9691 -124.004 -97.7523 -37.0187 -97.753 -318.765 GPRESSURE: 3253200 -317.405 -49.1104 -25.3421 -36.7264 -139.599 -86.7685 -12.4911 -108.168 -239.862 PRESSAVG: 3253200 8.48266 12.293 49.6623 12.293 16.9753 1.75502 49.6623 1.75509 13.3755 GPRESSAVG: 3253200 10.2551 9.16032 49.2812 13.9183 16.9743 2.16085 52.1046 1.03853 11.7709 TIMING: 3253200 CPU: 9795.94, 0.00302074/step Wall: 9795.94, 0.00302074/step, 1.46573 hours remaining, 211.000000 MB of memory in use. ENERGY: 3253200 796.4484 2129.1430 1926.5634 116.0715 -205450.3276 17476.3130 0.0000 0.0000 34119.3459 -148886.4423 297.9727 -183005.7882 -148789.0806 300.1514 -264.9751 -232.2883 559648.0710 12.9445 13.0001 PRESSURE: 3253400 -46.5917 -11.5132 48.9237 -11.5138 -214.403 89.349 48.9245 89.3483 -19.8078 GPRESSURE: 3253400 -5.32338 36.6375 50.8118 43.393 -189.535 63.7612 -22.7608 109.383 24.833 PRESSAVG: 3253400 42.1157 18.8589 -4.48178 18.8589 -83.7512 -74.7241 -4.48179 -74.7242 19.2141 GPRESSAVG: 3253400 40.4826 21.2856 -3.89957 17.1691 -83.5106 -74.8778 -7.19842 -75.8248 20.6157 TIMING: 3253400 CPU: 9796.56, 0.00307107/step Wall: 9796.56, 0.00307107/step, 1.48998 hours remaining, 211.000000 MB of memory in use. ENERGY: 3253400 755.7786 2034.1847 1939.3040 94.7549 -205719.1271 17673.7523 0.0000 0.0000 34238.3675 -148982.9851 299.0122 -183221.3525 -148885.7503 299.4596 -93.6009 -56.6750 559039.4592 -7.4738 -7.4708 PRESSURE: 3253600 -163.709 62.8921 -92.427 62.892 136.669 -47.0444 -92.4263 -47.0432 21.8074 GPRESSURE: 3253600 -127.255 127.971 -16.7849 8.68046 140.741 28.246 -141.188 -48.8871 92.6948 PRESSAVG: 3253600 -46.3996 -22.0653 -51.4987 -22.0653 -33.4519 9.45017 -51.4987 9.4502 73.4587 GPRESSAVG: 3253600 -46.3305 -23.8507 -51.5666 -20.1067 -32.8518 9.81126 -51.0692 9.53548 73.2196 TIMING: 3253600 CPU: 9797.17, 0.00305101/step Wall: 9797.17, 0.00305101/step, 1.48008 hours remaining, 211.000000 MB of memory in use. ENERGY: 3253600 762.8178 2047.6383 1960.2871 122.7389 -206136.8457 17796.8749 0.0000 0.0000 34448.0779 -148998.4109 300.8436 -183446.4888 -148905.4084 299.7713 -1.7442 35.3934 557656.9986 -2.1309 -1.9876 PRESSURE: 3253800 -2.11082 16.0651 -36.0204 16.0653 268.163 22.9246 -36.0211 22.9236 43.7045 GPRESSURE: 3253800 69.5685 -11.1428 -84.8932 14.7956 285.2 6.24242 -26.2176 88.0151 63.0724 PRESSAVG: 3253800 -24.755 -39.8107 -18.8258 -39.8106 44.6327 23.6744 -18.8257 23.6745 -2.53704 GPRESSAVG: 3253800 -24.7971 -38.6349 -20.1922 -41.4215 43.8692 22.9496 -17.6118 23.5351 -1.5725 TIMING: 3253800 CPU: 9797.77, 0.00303216/step Wall: 9797.77, 0.00303216/step, 1.47076 hours remaining, 211.000000 MB of memory in use. ENERGY: 3253800 739.6142 2046.7909 1930.4598 110.9368 -206114.4754 17798.9682 0.0000 0.0000 34303.0848 -149184.6208 299.5774 -183487.7056 -149086.3418 299.6257 103.2522 139.2804 556145.0424 5.7802 5.8332 PRESSURE: 3254000 -426.809 -91.1511 155.273 -91.151 -98.7877 167.912 155.272 167.914 -123.58 GPRESSURE: 3254000 -390.287 -49.6515 146.142 -113.327 -79.1336 148.046 112.373 149.45 -77.2517 PRESSAVG: 3254000 -19.0438 -21.026 14.681 -21.0261 26.5755 8.82512 14.681 8.82511 -9.17458 GPRESSAVG: 3254000 -18.4595 -18.7732 14.9974 -23.7858 26.4838 8.64137 13.9434 11.768 -9.95507 TIMING: 3254000 CPU: 9798.38, 0.00302802/step Wall: 9798.38, 0.00302802/step, 1.46859 hours remaining, 211.000000 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: 3254000 750.6897 2038.1706 1950.8900 119.6688 -205693.2559 17473.5716 0.0000 0.0000 34208.7905 -149151.4747 298.7539 -183360.2653 -149052.9712 299.5182 -216.3922 -182.2241 558290.8055 -0.5476 -0.6436 PRESSURE: 3254200 325.865 -53.012 99.7134 -53.0115 77.568 -225.132 99.7141 -225.132 40.4618 GPRESSURE: 3254200 367.847 26.9512 61.0281 -73.246 114.372 -179.283 112.264 -220.131 71.3147 PRESSAVG: 3254200 -17.8883 10.152 36.1562 10.152 -2.41036 -20.2587 36.1561 -20.2587 13.1585 GPRESSAVG: 3254200 -18.8077 7.08459 37.3934 13.1843 -2.01884 -20.8912 36.8807 -24.1025 13.1249 TIMING: 3254200 CPU: 9798.97, 0.00297144/step Wall: 9798.97, 0.00297144/step, 1.44098 hours remaining, 211.000000 MB of memory in use. ENERGY: 3254200 748.1896 2091.0225 1929.9141 105.3360 -206491.5023 18148.1545 0.0000 0.0000 34208.8888 -149259.9969 298.7547 -183468.8857 -149169.1408 298.9237 147.9649 184.5110 557469.1573 -2.3801 -2.5672 PRESSURE: 3254400 244.665 17.4476 -50.7851 17.4467 -25.2721 73.3443 -50.7846 73.3432 -67.7812 GPRESSURE: 3254400 299.717 -3.56107 -77.2817 -30.6281 -58.397 23.2095 -3.04009 61.2296 9.45239 PRESSAVG: 3254400 39.3353 -5.02011 -33.6318 -5.01998 -20.139 -32.163 -33.6319 -32.1629 -42.1965 GPRESSAVG: 3254400 38.6805 -5.50437 -32.6277 -4.5153 -20.6414 -32.5596 -33.5205 -30.7452 -41.4687 TIMING: 3254400 CPU: 9799.57, 0.0030001/step Wall: 9799.57, 0.0030001/step, 1.45472 hours remaining, 211.000000 MB of memory in use. ENERGY: 3254400 717.7126 2066.4759 1940.0219 107.6530 -206216.1565 17737.8328 0.0000 0.0000 34346.9756 -149299.4846 299.9607 -183646.4602 -149199.5903 298.9794 50.5373 83.5908 557540.2229 -7.6667 -7.8099 PRESSURE: 3254600 187.824 -25.2562 7.48093 -25.2553 184.804 37.809 7.48042 37.808 203.891 GPRESSURE: 3254600 275.65 -53.0718 52.3061 1.61503 169.983 25.5808 25.5894 37.7344 216.377 PRESSAVG: 3254600 -29.6489 -29.5654 -22.5793 -29.5655 -13.1311 -31.6453 -22.5794 -31.6453 28.5177 GPRESSAVG: 3254600 -28.2183 -27.1118 -23.6867 -29.0621 -13.4746 -32.5451 -23.6099 -30.1407 27.4051 TIMING: 3254600 CPU: 9800.17, 0.00298143/step Wall: 9800.17, 0.00298143/step, 1.4455 hours remaining, 211.000000 MB of memory in use. ENERGY: 3254600 712.2678 2150.5591 1927.5724 122.2207 -206486.5224 18087.5728 0.0000 0.0000 34043.8571 -149442.4725 297.3135 -183486.3296 -149354.1755 299.0025 192.1730 220.6699 556700.9794 -4.7541 -4.7626 PRESSURE: 3254800 37.5442 -75.9887 -205.475 -75.9886 272.518 17.6521 -205.475 17.6529 148.468 GPRESSURE: 3254800 101.946 -52.4886 -207.146 -145.817 294.917 19.4794 -163.649 12.3821 155.12 PRESSAVG: 3254800 53.0521 -13.8246 -42.0117 -13.8245 -35.5041 -1.0104 -42.0116 -1.01036 -4.74291 GPRESSAVG: 3254800 52.4365 -13.6584 -44.5257 -13.8844 -36.5275 -0.893424 -42.0094 -1.41382 -3.64376 TIMING: 3254800 CPU: 9800.77, 0.00299131/step Wall: 9800.77, 0.00299131/step, 1.45012 hours remaining, 211.000000 MB of memory in use. ENERGY: 3254800 709.9108 2086.8230 1947.4112 115.3191 -206484.0127 17905.4912 0.0000 0.0000 34213.3025 -149505.7549 298.7933 -183719.0574 -149412.9266 298.0692 152.8436 183.9944 556354.5727 4.2684 4.0884 PRESSURE: 3255000 -18.1779 -114.804 8.96934 -114.805 -143.232 127.493 8.96849 127.493 -22.8434 GPRESSURE: 3255000 33.9808 -109.503 -36.1965 -89.5511 -99.2035 188.982 20.6653 68.9367 -27.4589 PRESSAVG: 3255000 11.7143 -29.165 -45.3367 -29.1649 -65.7737 8.94121 -45.3367 8.9413 37.7489 GPRESSAVG: 3255000 11.4759 -27.96 -41.2581 -30.6267 -65.261 10.1 -48.086 8.81078 37.4365 TIMING: 3255000 CPU: 9801.37, 0.00299973/step Wall: 9801.37, 0.00299973/step, 1.45404 hours remaining, 211.000000 MB of memory in use. ENERGY: 3255000 758.8990 2036.3717 1976.9047 105.4425 -206156.7756 17811.5859 0.0000 0.0000 34003.4792 -149464.0926 296.9608 -183467.5718 -149369.1174 298.9896 -61.4178 -30.8939 557147.9744 -5.4368 -5.4496 PRESSURE: 3255200 -212.239 -196.18 -58.2973 -196.18 -8.00382 195.562 -58.2967 195.563 -7.24703 GPRESSURE: 3255200 -209.748 -161.737 -54.6701 -199.095 6.70415 235.17 -9.17359 107.9 58.4688 PRESSAVG: 3255200 -64.2643 10.4953 8.55274 10.4952 -82.8958 26.6383 8.55278 26.6385 88.7072 GPRESSAVG: 3255200 -65.1607 9.27113 9.15648 9.65953 -81.3839 26.3587 9.61216 27.0521 88.5213 TIMING: 3255200 CPU: 9801.96, 0.00298426/step Wall: 9801.96, 0.00298426/step, 1.44637 hours remaining, 211.000000 MB of memory in use. ENERGY: 3255200 744.1184 2134.4816 1946.8279 101.6419 -206435.7186 17795.5198 0.0000 0.0000 34140.3459 -149572.7833 298.1561 -183713.1291 -149480.0359 298.8099 -75.8299 -48.1917 557571.2541 -19.4843 -19.3411 PRESSURE: 3255400 -38.1355 34.4851 148.73 34.4846 65.0369 -61.9167 148.731 -61.9148 -78.5699 GPRESSURE: 3255400 -45.3719 34.9247 98.0829 51.009 74.8712 -21.4907 239.935 -119.756 5.78995 PRESSAVG: 3255400 -56.4549 36.6505 33.5963 36.6506 37.1857 -15.8822 33.5963 -15.8823 67.1931 GPRESSAVG: 3255400 -55.5514 34.6303 31.0065 39.2239 36.3591 -14.9379 35.6222 -15.9324 66.8209 TIMING: 3255400 CPU: 9802.56, 0.00297488/step Wall: 9802.56, 0.00297488/step, 1.44166 hours remaining, 211.011719 MB of memory in use. ENERGY: 3255400 740.5839 2078.8364 1949.8117 115.5767 -206670.8335 17891.2399 0.0000 0.0000 34358.8015 -149535.9833 300.0640 -183894.7848 -149448.1311 298.8412 -17.2229 11.7631 555911.3146 15.9746 15.8762 PRESSURE: 3255600 7.14637 181.83 -5.87694 181.828 -116.399 -182.756 -5.87829 -182.756 -111.51 GPRESSURE: 3255600 -10.7623 177.779 -60.6076 184.62 -72.7979 -202.522 53.9689 -102.167 -36.1433 PRESSAVG: 3255600 -35.5336 17.9286 52.9018 17.9286 33.9961 -7.64294 52.9017 -7.64294 3.60042 GPRESSAVG: 3255600 -35.6267 18.1153 53.9756 18.4633 33.0482 -9.81108 51.3526 -7.71613 3.83052 TIMING: 3255600 CPU: 9803.17, 0.00303332/step Wall: 9803.17, 0.00303332/step, 1.46981 hours remaining, 211.011719 MB of memory in use. ENERGY: 3255600 780.6701 2095.2376 1930.2757 103.9950 -205998.3628 17658.7308 0.0000 0.0000 34132.0353 -149297.4183 298.0836 -183429.4536 -149205.2119 298.9476 -73.5875 -39.9011 557309.9101 0.6877 0.4173 PRESSURE: 3255800 274.559 22.2793 29.9939 22.2799 64.33 99.3303 29.9942 99.3298 -53.6601 GPRESSURE: 3255800 244.581 133.383 67.017 -8.82031 95.0834 111.676 20.7756 153.758 41.8939 PRESSAVG: 3255800 33.2961 47.3588 -2.06284 47.3587 45.462 -12.9748 -2.06287 -12.9749 -43.045 GPRESSAVG: 3255800 33.9055 48.2758 -2.7337 46.3783 45.5484 -12.2802 -2.24416 -14.7824 -43.6373 TIMING: 3255800 CPU: 9803.77, 0.00303021/step Wall: 9803.77, 0.00303021/step, 1.46814 hours remaining, 211.011719 MB of memory in use. ENERGY: 3255800 764.6882 2082.7583 1953.8325 105.1860 -206250.2106 17795.6611 0.0000 0.0000 34321.1655 -149226.9191 299.7353 -183548.0846 -149130.7560 299.7321 95.0763 127.1860 556466.1853 11.9044 11.9389 PRESSURE: 3256000 93.1324 63.9183 -4.59024 63.9174 -100.924 -126.377 -4.59117 -126.377 -41.7675 GPRESSURE: 3256000 122.794 37.8728 1.08824 50.3858 -65.9954 -138.895 -62.5214 -130.624 -1.03171 PRESSAVG: 3256000 -9.99923 7.98332 6.50163 7.98334 -5.30197 -11.903 6.50163 -11.9032 19.5016 GPRESSAVG: 3256000 -11.0324 8.74731 6.05632 8.43624 -4.66974 -11.2728 8.26818 -12.7241 19.7201 TIMING: 3256000 CPU: 9804.37, 0.00299618/step Wall: 9804.37, 0.00299618/step, 1.45148 hours remaining, 211.011719 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: 3256000 773.0091 2099.8110 1951.4807 112.0457 -206219.6058 17774.8897 0.0000 0.0000 34331.0782 -149177.2914 299.8218 -183508.3696 -149072.7466 300.4721 -16.5196 18.5888 556305.8844 1.4001 1.3393 PRESSURE: 3256200 60.9749 -146.262 30.6374 -146.261 105.265 31.904 30.6372 31.902 -35.0561 GPRESSURE: 3256200 82.2093 -104.988 25.186 -159.225 101.689 81.3075 25.3638 -12.1744 32.3583 PRESSAVG: 3256200 -31.3661 -26.7471 -25.8846 -26.7471 73.524 -34.9779 -25.8846 -34.978 -40.6291 GPRESSAVG: 3256200 -30.8112 -25.897 -26.3163 -28.4241 73.6614 -33.6761 -25.428 -34.7556 -41.6432 TIMING: 3256200 CPU: 9804.97, 0.00297581/step Wall: 9804.97, 0.00297581/step, 1.44145 hours remaining, 211.011719 MB of memory in use. ENERGY: 3256200 785.3341 2123.4333 1951.8019 110.3247 -206359.1926 17930.2271 0.0000 0.0000 34316.5374 -149141.5340 299.6949 -183458.0714 -149043.1413 299.9806 43.7281 72.0856 556082.9209 0.5096 0.4023 LDB: ============= START OF LOAD BALANCING ============== 9808.48 LDB: ============== END OF LOAD BALANCING =============== 9808.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9808.48 LDB: ============= START OF LOAD BALANCING ============== 9808.78 LDB: Largest compute 4802 load 0.031582 is 26.7% of average load 0.118211 LDB: Average compute 0.001736 is 1.5% of average load 0.118211 LDB: TIME 9808.79 LOAD: AVG 0.118211 MAX 0.207352 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.277 MB LDB: TIME 9808.79 LOAD: AVG 0.118211 MAX 0.207352 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.48 MB LDB: TIME 9808.79 LOAD: AVG 0.118211 MAX 0.207352 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.48 MB LDB: ============== END OF LOAD BALANCING =============== 9808.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9808.79 PRESSURE: 3256400 154.523 79.7549 52.6924 79.7557 -103.638 -22.4266 52.6922 -22.4261 52.0432 GPRESSURE: 3256400 142.046 50.3505 104.071 11.9794 -87.1391 -81.4865 49.273 -0.836668 154.008 PRESSAVG: 3256400 -37.5726 -34.3871 -18.5945 -34.3871 54.4778 27.6157 -18.5945 27.6157 -44.5787 GPRESSAVG: 3256400 -36.7454 -35.9474 -16.5706 -33.0864 53.7383 25.6578 -20.1441 27.4431 -44.1603 TIMING: 3256400 CPU: 9805.58, 0.00305361/step Wall: 9805.58, 0.00305361/step, 1.47897 hours remaining, 209.000000 MB of memory in use. ENERGY: 3256400 723.0471 2087.9957 1944.3986 109.6355 -206508.6349 18031.0580 0.0000 0.0000 34300.9329 -149311.5670 299.5586 -183612.4999 -149212.6336 299.3078 34.3096 69.6383 557240.6230 -9.2245 -9.0558 PRESSURE: 3256600 -22.4159 172.78 84.7785 172.78 -118.437 49.3128 84.7785 49.3138 277.363 GPRESSURE: 3256600 5.34667 121.878 169.886 126.486 -51.0759 104.256 51.6378 20.6813 283.279 PRESSAVG: 3256600 -56.8285 7.27472 -12.1447 7.27478 -28.4694 35.4685 -12.1447 35.4685 65.2399 GPRESSAVG: 3256600 -57.1709 6.68399 -11.6733 7.32616 -28.3445 34.0792 -12.6649 35.6438 65.234 TIMING: 3256600 CPU: 9806.18, 0.00300104/step Wall: 9806.18, 0.00300104/step, 1.45334 hours remaining, 209.203125 MB of memory in use. ENERGY: 3256600 740.7488 2030.9448 1936.3342 103.6207 -206407.0358 17940.4217 0.0000 0.0000 34261.9687 -149392.9967 299.2183 -183654.9654 -149295.0837 298.7800 45.5034 79.1834 556200.2614 -6.6860 -6.7605 PRESSURE: 3256800 -22.6777 102.128 19.8254 102.126 252.502 -155.627 19.8258 -155.625 -104.949 GPRESSURE: 3256800 43.2096 18.7208 59.4292 64.9256 196.219 -91.2759 28.2773 -165.419 -20.1023 PRESSAVG: 3256800 -10.899 27.1004 51.8958 27.1004 2.95526 24.2904 51.8958 24.2905 71.6187 GPRESSAVG: 3256800 -12.0061 26.5217 51.0039 27.1049 2.27882 27.6769 53.442 25.7737 72.5612 TIMING: 3256800 CPU: 9806.78, 0.00300919/step Wall: 9806.78, 0.00300919/step, 1.45712 hours remaining, 209.203125 MB of memory in use. ENERGY: 3256800 707.0197 2056.1152 1947.9253 115.4175 -206380.2105 17942.6647 0.0000 0.0000 34297.2769 -149313.7912 299.5266 -183611.0681 -149212.3738 299.2731 41.6252 73.1087 557039.9654 21.2250 20.9446 PRESSURE: 3257000 -198.441 27.1865 81.5211 27.186 -82.2586 -7.77474 81.522 -7.77456 -84.4659 GPRESSURE: 3257000 -134.2 21.8027 174.967 48.7427 -63.157 73.0247 -11.2088 -28.8425 -71.8456 PRESSAVG: 3257000 -21.3649 39.7002 35.8149 39.7002 9.26723 29.5253 35.8149 29.5254 35.2479 GPRESSAVG: 3257000 -21.6763 41.7819 35.8582 37.4846 11.0509 26.3248 34.0211 28.7889 34.2712 TIMING: 3257000 CPU: 9807.39, 0.0030448/step Wall: 9807.39, 0.0030448/step, 1.47419 hours remaining, 209.203125 MB of memory in use. ENERGY: 3257000 756.3744 2136.6548 1946.2803 121.2434 -206412.7220 17853.5601 0.0000 0.0000 34133.3498 -149465.2592 298.0950 -183598.6090 -149377.4404 298.5206 -121.7218 -89.7341 558596.5626 7.7167 7.8819 PRESSURE: 3257200 -34.6296 -101.948 124.893 -101.949 160.119 -4.92158 124.892 -4.92171 78.3372 GPRESSURE: 3257200 9.12165 -105.267 127.051 -99.4524 254.967 -14.0455 144.885 -24.9884 43.3744 PRESSAVG: 3257200 -23.434 17.3377 11.3722 17.3376 -5.37629 1.67397 11.3722 1.67401 -14.7793 GPRESSAVG: 3257200 -22.9091 16.6179 11.5826 19.2945 -6.29932 2.42676 11.2524 1.75731 -13.7499 TIMING: 3257200 CPU: 9807.99, 0.00300543/step Wall: 9807.99, 0.00300543/step, 1.45496 hours remaining, 209.203125 MB of memory in use. ENERGY: 3257200 726.7857 2083.5152 1967.8686 105.3020 -206592.7925 17971.3601 0.0000 0.0000 34148.8111 -149589.1498 298.2301 -183737.9609 -149494.9658 298.7521 67.9423 102.4878 556582.8326 -14.5298 -14.3195 PRESSURE: 3257400 383.128 -20.1003 -100.026 -20.1012 -98.452 51.8138 -100.027 51.8146 -14.5229 GPRESSURE: 3257400 439.79 14.3941 -99.1039 65.7049 -52.11 18.8831 -112.695 47.9158 -19.0336 PRESSAVG: 3257400 13.8218 -60.1829 27.1405 -60.1828 29.4818 -19.4109 27.1405 -19.4109 -30.2366 GPRESSAVG: 3257400 14.5208 -58.2396 25.2025 -63.202 29.0604 -19.0638 29.2328 -19.5167 -30.0292 TIMING: 3257400 CPU: 9808.59, 0.00301211/step Wall: 9808.59, 0.00301211/step, 1.45803 hours remaining, 209.203125 MB of memory in use. ENERGY: 3257400 723.1183 2101.0436 1940.1412 109.7299 -206728.0503 17875.5737 0.0000 0.0000 34225.9119 -149752.5317 298.9034 -183978.4436 -149662.7714 298.2664 90.0509 122.8820 557082.2096 4.3557 4.5173 PRESSURE: 3257600 89.4545 101.006 3.75883 101.007 -78.8792 -142.081 3.75817 -142.082 -171.287 GPRESSURE: 3257600 88.834 48.6511 49.0567 167.996 -48.9453 -127.791 44.3109 -129.328 -113.548 PRESSAVG: 3257600 49.2421 39.3085 -9.624 39.3085 -108.152 26.9056 -9.62402 26.9056 16.6308 GPRESSAVG: 3257600 48.7785 37.3522 -7.85601 41.0922 -107.295 26.8305 -10.1691 27.4548 16.2407 TIMING: 3257600 CPU: 9809.19, 0.0030073/step Wall: 9809.19, 0.0030073/step, 1.45553 hours remaining, 209.203125 MB of memory in use. ENERGY: 3257600 751.6041 2083.5552 1931.7187 102.8971 -206654.9743 17977.2681 0.0000 0.0000 34038.6813 -149769.2498 297.2683 -183807.9311 -149666.2651 298.3378 -53.5705 -24.5532 557541.1021 -14.0929 -14.0920 PRESSURE: 3257800 -390.766 133.861 -4.69616 133.861 -169.682 -97.4831 -4.69586 -97.4847 -32.504 GPRESSURE: 3257800 -339.228 152.195 22.1269 114.588 -158.517 -129.19 -36.8107 -41.7301 -1.76909 PRESSAVG: 3257800 -39.7156 39.4659 -91.4917 39.466 29.5734 -7.09395 -91.4917 -7.09401 36.7687 GPRESSAVG: 3257800 -39.4015 39.2121 -92.8462 39.1599 29.3927 -8.05972 -90.6486 -8.10003 37.0835 TIMING: 3257800 CPU: 9809.79, 0.00297525/step Wall: 9809.79, 0.00297525/step, 1.43985 hours remaining, 209.203125 MB of memory in use. ENERGY: 3257800 753.3204 2074.5403 1950.6781 116.6850 -206279.9232 17631.0016 0.0000 0.0000 34120.2523 -149633.4454 297.9807 -183753.6977 -149529.0853 297.6957 -197.6505 -166.5045 556529.8112 8.8755 9.0249 PRESSURE: 3258000 73.6815 -42.2533 40.9815 -42.2531 -167.639 -34.8714 40.9824 -34.8681 125.465 GPRESSURE: 3258000 115.985 28.2799 19.5092 -111.213 -101.573 -64.1158 60.9333 25.6802 118.016 PRESSAVG: 3258000 12.8398 47.9652 -39.0375 47.9652 -37.8193 0.388641 -39.0375 0.388731 -11.7091 GPRESSAVG: 3258000 13.1351 48.0188 -38.8595 49.0419 -38.2788 1.58834 -39.319 1.16349 -11.7024 TIMING: 3258000 CPU: 9810.38, 0.00297918/step Wall: 9810.38, 0.00297918/step, 1.44159 hours remaining, 209.203125 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: 3258000 759.8509 2123.5779 1938.5588 99.8143 -206483.5917 17832.1909 0.0000 0.0000 34209.8817 -149519.7172 298.7634 -183729.5989 -149426.3411 298.9892 10.5022 44.1428 556385.4252 -12.2295 -12.2820 PRESSURE: 3258200 62.7348 44.2845 -175.928 44.2838 -111.945 -10.4676 -175.928 -10.4669 -250.853 GPRESSURE: 3258200 73.7914 82.201 -184.241 -35.7682 -99.2949 -8.59944 -152.433 66.3614 -170.734 PRESSAVG: 3258200 34.2162 4.99353 -6.23212 4.99354 -30.2886 -30.0406 -6.23211 -30.0406 0.00949701 GPRESSAVG: 3258200 34.1839 6.29178 -6.88754 2.66917 -29.9047 -29.8394 -6.27635 -30.8719 -0.082241 TIMING: 3258200 CPU: 9810.98, 0.00298549/step Wall: 9810.98, 0.00298549/step, 1.44448 hours remaining, 209.203125 MB of memory in use. ENERGY: 3258200 753.6207 2051.1319 1950.0873 117.7987 -206340.0107 17583.6512 0.0000 0.0000 34443.8577 -149439.8632 300.8068 -183883.7209 -149338.5954 299.7126 -100.0210 -65.4127 554804.2080 1.3124 1.3990 PRESSURE: 3258400 -90.0265 -160.851 -16.2225 -160.85 -110.746 -53.1322 -16.222 -53.1327 99.3505 GPRESSURE: 3258400 -15.0114 -140.424 44.7538 -83.5198 -96.1942 -22.9714 -19.8935 10.573 103.691 PRESSAVG: 3258400 7.97594 3.50375 19.414 3.50379 -45.1216 7.39637 19.4141 7.39651 81.4732 GPRESSAVG: 3258400 7.22728 2.11008 20.7199 6.99016 -45.8183 8.21761 17.3488 8.02536 82.6209 TIMING: 3258400 CPU: 9811.58, 0.00298391/step Wall: 9811.58, 0.00298391/step, 1.44355 hours remaining, 209.203125 MB of memory in use. ENERGY: 3258400 748.2525 2092.4169 1944.3716 120.4972 -206649.1373 17897.4181 0.0000 0.0000 34281.1694 -149565.0116 299.3860 -183846.1810 -149472.6014 299.5241 -33.8072 -2.5050 554869.0938 14.7758 14.6766 PRESSURE: 3258600 120.616 16.3977 -37.7183 16.3985 295.521 123.075 -37.7188 123.075 -357.673 GPRESSURE: 3258600 116.58 -22.0762 -2.93552 38.2415 314.144 71.3433 -124.92 173.777 -275.661 PRESSAVG: 3258600 11.4765 11.9413 -12.8299 11.9412 -6.47206 -25.7817 -12.8298 -25.7817 -31.1125 GPRESSAVG: 3258600 11.5194 12.5331 -14.5596 11.1005 -4.88801 -26.5391 -10.6259 -25.5956 -32.5854 TIMING: 3258600 CPU: 9812.18, 0.00299543/step Wall: 9812.18, 0.00299543/step, 1.44896 hours remaining, 209.203125 MB of memory in use. ENERGY: 3258600 706.0703 2121.6701 1933.2590 124.4886 -206504.2759 17712.7530 0.0000 0.0000 34260.3003 -149645.7345 299.2037 -183906.0348 -149553.5638 298.6902 19.4878 51.6872 554991.9638 -8.7027 -8.6514 PRESSURE: 3258800 95.0968 131.716 151.776 131.716 93.733 -111.212 151.777 -111.213 -274.458 GPRESSURE: 3258800 152.753 145.893 165.596 93.5019 64.6717 -70.6147 114.405 -173.902 -205.405 PRESSAVG: 3258800 39.6361 2.62217 -18.9825 2.62213 66.0939 12.5336 -18.9825 12.5336 -44.8244 GPRESSAVG: 3258800 40.0738 1.76899 -17.5724 2.65411 65.0113 12.6183 -19.0232 13.2228 -43.854 TIMING: 3258800 CPU: 9812.78, 0.00300213/step Wall: 9812.78, 0.00300213/step, 1.45203 hours remaining, 209.203125 MB of memory in use. ENERGY: 3258800 773.0841 2058.5056 1943.1505 114.4070 -206593.0991 17697.9494 0.0000 0.0000 34432.8338 -149573.1688 300.7105 -184006.0026 -149464.4945 298.2315 -28.5428 4.0064 553778.7097 20.3019 20.4104 PRESSURE: 3259000 -52.66 49.6885 35.7386 49.6902 70.922 42.3 35.7388 42.3006 -17.9199 GPRESSURE: 3259000 25.4432 31.0404 41.3384 49.8017 111.011 58.582 132.546 79.6477 -29.1264 PRESSAVG: 3259000 33.6963 12.2651 42.8977 12.2652 -10.9563 79.0108 42.8976 79.0108 -22.147 GPRESSAVG: 3259000 34.2877 14.0273 42.2547 12.2076 -10.6036 78.9863 41.4699 79.3803 -23.6148 TIMING: 3259000 CPU: 9813.38, 0.0029925/step Wall: 9813.38, 0.0029925/step, 1.44721 hours remaining, 209.464844 MB of memory in use. ENERGY: 3259000 721.5590 2066.6533 1944.5665 117.9612 -206513.9387 17881.0993 0.0000 0.0000 34028.7582 -149753.3411 297.1816 -183782.0993 -149658.3426 298.5033 0.1140 35.7759 556360.2162 0.1977 0.0231 PRESSURE: 3259200 -322.899 -39.2594 22.8405 -39.2593 -49.1745 -28.5088 22.8404 -28.5084 258.192 GPRESSURE: 3259200 -235.013 -101.477 -66.1396 -34.7903 -19.5621 -62.6184 84.0855 5.31634 248.697 PRESSAVG: 3259200 -59.6506 -38.1514 -12.6328 -38.1513 40.9226 26.1958 -12.6328 26.1958 39.9444 GPRESSAVG: 3259200 -60.8723 -38.7976 -12.8049 -38.8635 41.1367 26.4542 -11.23 26.6272 40.8006 TIMING: 3259200 CPU: 9813.98, 0.00300166/step Wall: 9813.98, 0.00300166/step, 1.45147 hours remaining, 209.464844 MB of memory in use. ENERGY: 3259200 728.2898 2067.2842 1935.1319 113.8033 -206768.5262 17908.4362 0.0000 0.0000 34202.0920 -149813.4889 298.6954 -184015.5808 -149709.8881 297.9522 -37.9603 -1.9592 557289.5834 7.0721 7.0217 PRESSURE: 3259400 -328.32 27.3962 12.2997 27.3962 -130.381 -34.8339 12.2995 -34.8327 -183.04 GPRESSURE: 3259400 -276.832 -56.364 28.8405 -2.43363 -152.31 -45.4361 40.1683 -31.3143 -105.751 PRESSAVG: 3259400 -14.4089 -47.9051 -14.8161 -47.9051 30.6238 -0.182348 -14.8161 -0.182493 -12.5889 GPRESSAVG: 3259400 -13.9219 -47.6258 -13.7043 -49.7596 30.1521 0.0672383 -15.3931 -0.978132 -12.8434 TIMING: 3259400 CPU: 9814.57, 0.00298744/step Wall: 9814.57, 0.00298744/step, 1.44443 hours remaining, 209.464844 MB of memory in use. ENERGY: 3259400 773.0611 2083.0590 1930.4708 115.2648 -206399.0927 17713.4013 0.0000 0.0000 33950.0453 -149833.7905 296.4942 -183783.8358 -149735.5801 297.7683 -213.9136 -178.2979 557330.9784 1.2087 1.1289 PRESSURE: 3259600 -127.694 9.57286 -95.0178 9.57145 101.402 8.30394 -95.0188 8.30424 133.972 GPRESSURE: 3259600 -56.6414 13.3238 -105.328 24.315 95.0043 -138.672 -88.6606 51.6094 180.094 PRESSAVG: 3259600 24.6925 -26.4969 -12.148 -26.497 46.8401 -42.5349 -12.1481 -42.5349 -66.8624 GPRESSAVG: 3259600 24.7997 -26.9022 -12.8101 -24.5101 46.8057 -43.9287 -12.9144 -42.2392 -66.9103 TIMING: 3259600 CPU: 9815.17, 0.00298315/step Wall: 9815.17, 0.00298315/step, 1.44219 hours remaining, 209.464844 MB of memory in use. ENERGY: 3259600 766.7424 2062.7337 1977.2201 104.3222 -206708.6498 18040.7975 0.0000 0.0000 33949.8404 -149806.9934 296.4924 -183756.8338 -149718.1712 297.9453 35.8935 72.8189 556278.3974 1.5567 1.5650 PRESSURE: 3259800 -204.506 75.0845 -97.4587 75.0855 33.1821 47.5076 -97.4596 47.5055 49.6719 GPRESSURE: 3259800 -198.056 49.0812 -132.472 86.1289 71.4642 24.8785 -74.8007 81.6209 107.68 PRESSAVG: 3259800 -48.683 1.84436 -53.0434 1.84444 27.237 54.7301 -53.0434 54.7301 70.9344 GPRESSAVG: 3259800 -48.6672 2.09091 -53.8675 1.28344 27.1288 53.4962 -51.431 55.8735 71.143 TIMING: 3259800 CPU: 9815.76, 0.00295304/step Wall: 9815.76, 0.00295304/step, 1.42747 hours remaining, 209.464844 MB of memory in use. ENERGY: 3259800 713.3278 2113.5234 1959.8363 111.4408 -206563.0131 17702.7863 0.0000 0.0000 34183.7178 -149778.3806 298.5349 -183962.0984 -149672.1655 297.7170 -40.5506 -6.3038 555650.1632 16.4961 16.5349 PRESSURE: 3260000 8.96581 106.597 167.086 106.597 -28.9564 -8.01443 167.085 -8.01556 16.5955 GPRESSURE: 3260000 44.2809 123.42 97.5341 79.9734 30.8579 43.5222 161.044 -25.7229 24.3349 PRESSAVG: 3260000 -36.9141 -32.3286 -26.4405 -32.3285 14.1787 14.7262 -26.4405 14.7261 45.377 GPRESSAVG: 3260000 -36.214 -31.6893 -28.9633 -31.6188 14.5831 15.9972 -25.5737 13.9986 44.4278 TIMING: 3260000 CPU: 9816.35, 0.00295439/step Wall: 9816.35, 0.00295439/step, 1.42796 hours remaining, 209.464844 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: 3260000 763.7803 2065.4175 1906.9568 113.4517 -206681.9313 17950.1440 0.0000 0.0000 34044.0647 -149838.1163 297.3153 -183882.1810 -149737.3461 297.7021 -1.1317 33.1579 557303.4720 7.5472 7.5990 PRESSURE: 3260200 -7.62779 113.026 -117.849 113.025 109.371 72.8646 -117.848 72.8647 25.0293 GPRESSURE: 3260200 -7.73775 92.6777 -175.411 135.403 169.479 59.2555 -116.359 53.9823 60.8172 PRESSAVG: 3260200 -32.275 -4.67654 12.254 -4.67659 -21.5323 13.9927 12.254 13.9927 34.3568 GPRESSAVG: 3260200 -31.7465 -4.83818 13.2468 -5.13542 -22.5251 13.7713 12.0678 12.8796 34.6241 TIMING: 3260200 CPU: 9816.94, 0.00296895/step Wall: 9816.94, 0.00296895/step, 1.43483 hours remaining, 209.464844 MB of memory in use. ENERGY: 3260200 748.7513 2109.4755 1931.3694 116.4517 -206597.3264 17861.3017 0.0000 0.0000 33936.9395 -149893.0373 296.3797 -183829.9768 -149793.8123 296.7847 42.2575 74.1863 558198.5670 -6.4835 -6.5491 LDB: ============= START OF LOAD BALANCING ============== 9820.46 LDB: ============== END OF LOAD BALANCING =============== 9820.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9820.46 LDB: ============= START OF LOAD BALANCING ============== 9820.76 LDB: Largest compute 4802 load 0.031730 is 26.8% of average load 0.118197 LDB: Average compute 0.001738 is 1.5% of average load 0.118197 LDB: TIME 9820.77 LOAD: AVG 0.118197 MAX 0.211356 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.914 MB LDB: TIME 9820.77 LOAD: AVG 0.118197 MAX 0.211356 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.914 MB LDB: TIME 9820.77 LOAD: AVG 0.118197 MAX 0.211356 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.914 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9820.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9820.77 PRESSURE: 3260400 92.2791 36.4093 47.8954 36.411 295.606 14.178 47.8961 14.1777 117.583 GPRESSURE: 3260400 119.397 27.0742 47.8299 -32.502 354.845 5.03682 104.762 -31.8801 138.742 PRESSAVG: 3260400 -26.7859 -25.6981 14.171 -25.6981 11.0865 6.8459 14.1711 6.84586 -13.9388 GPRESSAVG: 3260400 -29.255 -27.0486 16.2772 -25.2232 11.3693 8.65574 13.182 8.86275 -12.2762 TIMING: 3260400 CPU: 9817.56, 0.00305326/step Wall: 9817.56, 0.00305326/step, 1.4754 hours remaining, 210.707031 MB of memory in use. ENERGY: 3260400 736.6001 2057.5802 1941.7386 121.3898 -206967.2275 18207.7189 0.0000 0.0000 33829.5927 -150072.6072 295.4422 -183902.1999 -149981.1429 296.4531 168.4893 204.3282 556910.3023 -9.8794 -10.0540 PRESSURE: 3260600 90.2864 -57.7192 31.9016 -57.7197 14.0547 -76.5923 31.9023 -76.5904 220.005 GPRESSURE: 3260600 107.444 -78.6599 116.311 -62.4902 30.7436 -69.2435 -47.2764 -80.5291 288.177 PRESSAVG: 3260600 4.49259 -29.8712 34.7919 -29.8713 -21.3743 -37.5622 34.7919 -37.5622 50.55 GPRESSAVG: 3260600 5.53954 -28.8179 35.3441 -31.05 -21.2612 -38.2982 35.3613 -39.9064 49.1427 TIMING: 3260600 CPU: 9818.16, 0.00301434/step Wall: 9818.16, 0.00301434/step, 1.45643 hours remaining, 210.910156 MB of memory in use. ENERGY: 3260600 717.7583 2084.4015 1951.9297 105.7172 -206662.1009 17935.8067 0.0000 0.0000 33940.5325 -149925.9551 296.4111 -183866.4876 -149821.8645 297.0502 108.1153 142.1215 557327.7326 11.2228 11.1404 PRESSURE: 3260800 -16.4011 -125.333 100.367 -125.333 -80.5756 -45.7327 100.367 -45.7341 -115.728 GPRESSURE: 3260800 21.3118 -75.8738 60.9811 -175.304 -19.8294 -74.9015 101.321 -20.7383 -115.269 PRESSAVG: 3260800 -85.0988 -49.5288 -0.709854 -49.5288 33.516 13.3623 -0.709877 13.3623 39.7921 GPRESSAVG: 3260800 -84.4905 -51.8767 -1.31498 -46.1857 31.5558 12.7479 -1.16617 13.2419 40.9315 TIMING: 3260800 CPU: 9818.76, 0.00298656/step Wall: 9818.76, 0.00298656/step, 1.44284 hours remaining, 210.910156 MB of memory in use. ENERGY: 3260800 731.5264 2110.9785 1967.7407 112.3348 -206684.0853 17877.6222 0.0000 0.0000 34009.6137 -149874.2690 297.0144 -183883.8827 -149779.9695 297.1337 -70.9016 -37.9288 558158.7862 -3.9302 -4.0011 PRESSURE: 3261000 36.0136 -28.2778 91.8095 -28.2774 -227.058 -8.85021 91.8107 -8.8509 -38.6571 GPRESSURE: 3261000 117.501 5.59837 29.0462 -3.89678 -213.445 70.4001 49.8821 -29.4661 -44.2212 PRESSAVG: 3261000 -13.7712 19.7562 38.7274 19.7563 -54.4039 8.21125 38.7275 8.21113 52.9933 GPRESSAVG: 3261000 -15.4548 23.0898 40.541 17.7433 -53.3095 7.70867 38.3372 9.79104 53.2135 TIMING: 3261000 CPU: 9819.36, 0.00301293/step Wall: 9819.36, 0.00301293/step, 1.45541 hours remaining, 210.910156 MB of memory in use. ENERGY: 3261000 730.6635 2060.1477 1941.9905 105.1347 -206453.8492 17782.2805 0.0000 0.0000 34010.6622 -149822.9700 297.0236 -183833.6322 -149727.3485 297.9266 -76.5673 -46.7219 557092.6031 -5.0606 -5.1836 PRESSURE: 3261200 -184.1 -21.7588 77.1614 -21.7591 -47.6294 -79.0529 77.1616 -79.0516 22.1619 GPRESSURE: 3261200 -156.934 6.51789 179.876 -55.309 -26.7895 -73.3292 95.4251 -102.742 71.7471 PRESSAVG: 3261200 -5.23094 -11.5618 34.2341 -11.5618 -47.2457 -10.532 34.2342 -10.532 67.8838 GPRESSAVG: 3261200 -5.58959 -11.7398 31.9782 -11.5649 -46.772 -9.92948 35.503 -11.2293 67.038 TIMING: 3261200 CPU: 9819.96, 0.00299076/step Wall: 9819.96, 0.00299076/step, 1.44454 hours remaining, 210.910156 MB of memory in use. ENERGY: 3261200 754.0867 2071.7916 1961.7069 114.0886 -206723.4751 17882.6862 0.0000 0.0000 34100.9178 -149838.1973 297.8118 -183939.1151 -149743.9988 297.0815 -69.8559 -37.3255 556936.9522 5.1357 4.8921 PRESSURE: 3261400 -60.4393 -162.616 -153.862 -162.618 -79.1302 40.4536 -153.861 40.4547 -77.1085 GPRESSURE: 3261400 -36.2843 -186.832 -135.797 -90.6507 -35.2234 13.6014 -224.869 66.3134 -41.6084 PRESSAVG: 3261400 -63.5219 -34.5818 41.4574 -34.5817 -38.1101 -9.35796 41.4573 -9.35776 79.0376 GPRESSAVG: 3261400 -61.9142 -36.1978 43.0668 -32.6079 -39.6689 -8.27667 40.0872 -9.61193 79.1388 TIMING: 3261400 CPU: 9820.56, 0.00301953/step Wall: 9820.56, 0.00301953/step, 1.45827 hours remaining, 211.171875 MB of memory in use. ENERGY: 3261400 732.6148 2041.2181 1953.8605 112.3515 -206404.4431 17799.9913 0.0000 0.0000 34250.2021 -149514.2048 299.1155 -183764.4069 -149417.1902 297.4517 -72.2260 -37.7054 557850.5914 -7.5315 -7.4814 PRESSURE: 3261600 214.51 1.79422 156.435 1.79338 -82.7631 -131.998 156.435 -131.999 -99.5769 GPRESSURE: 3261600 200.879 60.8465 118.838 -80.8494 -21.9479 -77.0116 207.811 -115.683 -60.6645 PRESSAVG: 3261600 56.0061 -15.0932 13.8636 -15.0931 -66.9413 -5.19099 13.8635 -5.19102 10.1566 GPRESSAVG: 3261600 54.2949 -14.0643 13.237 -17.2486 -66.3692 -7.78814 15.9128 -3.55211 11.0987 TIMING: 3261600 CPU: 9821.16, 0.00300223/step Wall: 9821.16, 0.00300223/step, 1.44974 hours remaining, 211.171875 MB of memory in use. ENERGY: 3261600 720.5998 2118.7943 1955.9227 111.7656 -206103.0029 17672.4429 0.0000 0.0000 34021.5070 -149501.9708 297.1183 -183523.4778 -149401.8027 299.1852 10.7234 39.4224 557348.7788 -0.2595 -0.3252 PRESSURE: 3261800 178.905 111.108 110.621 111.108 136.908 -13.1896 110.622 -13.1916 -141.589 GPRESSURE: 3261800 182.178 15.6243 61.7015 104.473 168.061 -13.1988 88.4279 -27.9235 -75.9871 PRESSAVG: 3261800 78.0657 -75.587 19.5334 -75.587 -94.0545 -53.814 19.5333 -53.8139 42.7243 GPRESSAVG: 3261800 78.8518 -76.454 21.2231 -75.1199 -94.3389 -52.6503 18.2166 -54.5593 41.9148 TIMING: 3261800 CPU: 9821.76, 0.00299573/step Wall: 9821.76, 0.00299573/step, 1.44644 hours remaining, 211.171875 MB of memory in use. ENERGY: 3261800 703.1915 2119.5514 1928.1994 116.3643 -206504.1417 17820.9699 0.0000 0.0000 34081.0541 -149734.8110 297.6383 -183815.8651 -149645.9523 297.7938 58.0750 91.4175 557090.4792 8.9118 8.8092 PRESSURE: 3262000 -117.273 -54.9222 2.13912 -54.9214 -224.896 -75.8038 2.1393 -75.8038 -116.715 GPRESSURE: 3262000 -90.9827 -55.2094 36.69 24.6619 -192.635 -167.874 1.94349 59.7527 -73.6357 PRESSAVG: 3262000 10.079 -11.7329 20.1528 -11.7328 -8.15977 -22.0678 20.1528 -22.0678 15.9249 GPRESSAVG: 3262000 10.0285 -11.7463 19.5245 -13.0591 -8.1687 -23.1391 19.6552 -20.1855 15.8905 TIMING: 3262000 CPU: 9822.35, 0.00296207/step Wall: 9822.35, 0.00296207/step, 1.43002 hours remaining, 211.171875 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: 3262000 749.1904 2104.0400 1922.4735 104.5962 -206704.7704 17787.0678 0.0000 0.0000 34215.8948 -149821.5077 298.8159 -184037.4024 -149729.3437 297.6784 -152.9612 -119.0843 557759.5252 5.9480 5.9168 PRESSURE: 3262200 -45.5702 -35.7024 12.3635 -35.7028 -174.972 -62.0352 12.3628 -62.0357 -227.776 GPRESSURE: 3262200 54.5702 -88.987 52.7745 -51.0702 -181.352 -27.6288 -43.4521 -44.2744 -214.608 PRESSAVG: 3262200 9.02218 7.61713 50.9864 7.61715 -23.4185 9.59268 50.9864 9.59274 26.5662 GPRESSAVG: 3262200 9.19367 8.21805 51.9052 8.70958 -23.2645 12.757 51.2815 6.76168 25.9791 TIMING: 3262200 CPU: 9822.94, 0.00295934/step Wall: 9822.94, 0.00295934/step, 1.42854 hours remaining, 211.171875 MB of memory in use. ENERGY: 3262200 761.2789 2091.9205 1937.8944 110.5943 -206297.6168 17674.8901 0.0000 0.0000 33908.5075 -149812.5310 296.1314 -183721.0385 -149712.2507 298.4564 -149.4393 -113.7966 556460.1413 4.0566 3.9694 PRESSURE: 3262400 -155.35 -70.904 -148.538 -70.9018 198.515 -119.762 -148.537 -119.762 44.6007 GPRESSURE: 3262400 -134.594 -66.8642 -134.188 -47.6182 263.704 -146.539 -197.756 -108.377 62.9017 PRESSAVG: 3262400 -53.12 20.2396 -8.05408 20.2397 5.75125 -32.8155 -8.05406 -32.8154 56.9098 GPRESSAVG: 3262400 -53.7505 19.9636 -10.4827 20.889 5.54477 -35.1295 -7.96548 -30.1815 57.2733 TIMING: 3262400 CPU: 9823.55, 0.0030103/step Wall: 9823.55, 0.0030103/step, 1.45297 hours remaining, 211.171875 MB of memory in use. ENERGY: 3262400 755.0823 2076.1369 1955.2440 110.9848 -206939.4136 18168.1558 0.0000 0.0000 33993.9454 -149879.8643 296.8776 -183873.8097 -149788.6920 297.8579 29.2553 64.0038 556973.2919 3.1804 3.0225 PRESSURE: 3262600 295.431 -169.869 167.348 -169.868 141.718 20.4713 167.349 20.4707 -13.3764 GPRESSURE: 3262600 329.772 -110.782 71.208 -181.045 157.112 -47.5075 228.931 76.7223 43.3801 PRESSAVG: 3262600 -14.5504 -41.033 28.0513 -41.0331 -3.3922 -7.43347 28.0514 -7.43352 17.8531 GPRESSAVG: 3262600 -14.1586 -41.1748 27.5788 -40.6447 -5.33456 -7.00699 29.7361 -8.85856 19.0909 TIMING: 3262600 CPU: 9824.14, 0.0029857/step Wall: 9824.14, 0.0029857/step, 1.44093 hours remaining, 211.171875 MB of memory in use. ENERGY: 3262600 735.1758 2058.3441 1947.4237 119.8587 -207127.2338 18199.9528 0.0000 0.0000 34144.1860 -149922.2928 298.1897 -184066.4787 -149824.3016 297.8744 141.2575 176.7548 556039.1821 -0.0298 -0.1341 PRESSURE: 3262800 82.7012 63.615 85.2494 63.6144 103.047 27.1446 85.2496 27.1462 150.943 GPRESSURE: 3262800 42.3283 34.4119 26.3074 86.8523 117.594 80.5225 82.2184 -5.34192 267.845 PRESSAVG: 3262800 6.98166 -25.474 -5.91562 -25.4741 -15.5154 54.6323 -5.91554 54.6323 -40.696 GPRESSAVG: 3262800 6.19814 -24.8875 -5.72788 -25.9165 -14.1146 54.464 -7.53067 53.1588 -41.4612 TIMING: 3262800 CPU: 9824.74, 0.00297002/step Wall: 9824.74, 0.00297002/step, 1.4332 hours remaining, 211.171875 MB of memory in use. ENERGY: 3262800 753.1684 2137.1636 1956.7493 98.3174 -207032.5927 18074.9619 0.0000 0.0000 34099.4042 -149912.8278 297.7986 -184012.2321 -149814.8978 297.4984 112.2307 142.5892 557555.6879 -16.4099 -16.4592 PRESSURE: 3263000 140.143 117.562 -48.6685 117.561 221.144 150.303 -48.6683 150.303 219.16 GPRESSURE: 3263000 131.088 115.539 102.471 51.6216 287.624 123.398 -135.637 183.481 259.057 PRESSAVG: 3263000 -18.5707 -12.5737 55.2711 -12.5737 32.874 32.8198 55.271 32.8196 21.9002 GPRESSAVG: 3263000 -17.6056 -13.5772 57.2686 -12.9055 31.1359 31.929 55.0841 35.6823 22.7298 TIMING: 3263000 CPU: 9825.34, 0.00300822/step Wall: 9825.34, 0.00300822/step, 1.45146 hours remaining, 211.183594 MB of memory in use. ENERGY: 3263000 753.7296 2078.8686 1936.1812 107.6920 -206906.0188 17957.1875 0.0000 0.0000 34189.2144 -149883.1454 298.5829 -184072.3598 -149784.6077 297.4824 193.4824 225.9226 555160.2397 12.0678 12.0867 PRESSURE: 3263200 -248.187 -29.3637 172.09 -29.3637 -94.3689 -13.2692 172.091 -13.2697 -337.985 GPRESSURE: 3263200 -239.744 -74.1315 214.615 -39.1214 -46.9982 -30.1424 146.27 29.5904 -302.455 PRESSAVG: 3263200 20.915 15.5799 38.8423 15.5797 -62.8322 -8.12648 38.8423 -8.1265 60.0438 GPRESSAVG: 3263200 19.9567 15.9941 39.328 16.0237 -61.5752 -7.04055 37.2708 -9.81245 60.2106 TIMING: 3263200 CPU: 9825.94, 0.00302347/step Wall: 9825.94, 0.00302347/step, 1.45865 hours remaining, 211.183594 MB of memory in use. ENERGY: 3263200 754.2969 2071.6928 1930.1681 104.0094 -206245.4179 17506.0380 0.0000 0.0000 33986.3204 -149892.8924 296.8110 -183879.2128 -149804.2144 297.5458 -226.8470 -196.3993 557375.2770 6.0422 6.1973 PRESSURE: 3263400 55.9236 164.512 -105.282 164.511 -48.0076 -91.2085 -105.283 -91.2078 -79.0732 GPRESSURE: 3263400 124.514 144.208 -144.77 155.397 -15.2158 -27.2259 4.67052 -89.4811 -78.3862 PRESSAVG: 3263400 -46.9124 18.9199 14.2413 18.9199 3.9128 2.63731 14.2412 2.63729 89.9795 GPRESSAVG: 3263400 -47.3189 15.698 13.0368 21.3221 4.585 2.45359 15.7053 3.49721 89.8178 TIMING: 3263400 CPU: 9826.54, 0.00297249/step Wall: 9826.54, 0.00297249/step, 1.4339 hours remaining, 211.183594 MB of memory in use. ENERGY: 3263400 756.5233 2127.8740 1929.5193 115.7011 -206746.7535 17942.6536 0.0000 0.0000 34302.6347 -149571.8474 299.5734 -183874.4822 -149469.8898 298.0458 -23.7191 10.3039 556192.0162 15.6600 15.6946 PRESSURE: 3263600 -437.67 107.624 23.6103 107.625 -7.94061 -45.5758 23.6098 -45.5765 -94.5828 GPRESSURE: 3263600 -370.96 137.927 24.3457 13.6566 -2.78478 -18.6868 -29.4717 -42.2897 -81.3231 PRESSAVG: 3263600 -32.5697 12.9889 59.0575 12.989 47.0486 48.566 59.0575 48.566 15.1724 GPRESSAVG: 3263600 -30.2934 16.1869 60.1054 10.5008 45.5109 50.3391 57.8258 47.9023 14.6546 TIMING: 3263600 CPU: 9827.13, 0.00295862/step Wall: 9827.13, 0.00295862/step, 1.42704 hours remaining, 211.183594 MB of memory in use. ENERGY: 3263600 742.8694 2131.3982 1920.5102 114.8715 -206176.3410 17566.8278 0.0000 0.0000 34261.6543 -149438.2096 299.2155 -183699.8639 -149340.1797 298.7070 -180.0644 -151.6892 557298.4323 9.8838 9.9574 PRESSURE: 3263800 -19.6275 -98.386 -16.8533 -98.385 130.386 -4.16238 -16.8526 -4.16168 -60.6342 GPRESSURE: 3263800 -24.1622 77.8969 -87.4127 -174.7 110.261 -11.1956 49.3878 -53.106 51.5397 PRESSAVG: 3263800 -9.09067 35.6413 76.54 35.6413 -27.5069 46.9861 76.54 46.9861 20.506 GPRESSAVG: 3263800 -10.6516 36.3587 74.7748 34.9348 -26.2573 44.7451 79.6453 47.6837 20.9898 TIMING: 3263800 CPU: 9827.72, 0.00297137/step Wall: 9827.72, 0.00297137/step, 1.43303 hours remaining, 211.183594 MB of memory in use. ENERGY: 3263800 720.9139 2088.5409 1926.6097 103.9711 -206027.8200 17923.9450 0.0000 0.0000 34219.4914 -149044.3480 298.8473 -183263.8394 -148948.8141 299.0818 16.7082 45.8796 558718.4558 -5.3639 -5.3063 PRESSURE: 3264000 -152.979 46.6047 50.3723 46.6036 232.427 125.483 50.3718 125.485 209.548 GPRESSURE: 3264000 -40.1569 63.4836 94.7613 -78.0511 223.06 115.759 45.9172 217.758 207.768 PRESSAVG: 3264000 -24.6458 -18.7773 1.53575 -18.7773 -15.815 9.13798 1.53576 9.138 27.429 GPRESSAVG: 3264000 -23.7205 -17.7555 4.07095 -18.618 -16.9031 9.21405 0.991822 6.18575 27.3582 TIMING: 3264000 CPU: 9828.32, 0.00297882/step Wall: 9828.32, 0.00297882/step, 1.43645 hours remaining, 211.183594 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: 3264000 785.7257 2072.9148 1928.5088 106.3866 -206629.0446 18207.3535 0.0000 0.0000 34432.8550 -149095.3002 300.7107 -183528.1552 -148997.0604 300.3520 96.3321 130.2235 557563.6571 -4.3439 -4.4218 PRESSURE: 3264200 -97.6008 -4.50429 34.7848 -4.50357 -417.152 -60.7893 34.7847 -60.7892 -116.884 GPRESSURE: 3264200 -102.804 27.6527 90.5052 42.3592 -357.814 -37.102 101.792 -4.31783 -62.9041 PRESSAVG: 3264200 0.503246 29.9471 -16.5914 29.9472 -98.9504 7.31094 -16.5915 7.31084 54.0846 GPRESSAVG: 3264200 0.508062 28.589 -17.5906 31.0346 -99.1225 9.37569 -17.6719 8.39032 53.6798 TIMING: 3264200 CPU: 9828.91, 0.00295488/step Wall: 9828.91, 0.00295488/step, 1.42475 hours remaining, 211.183594 MB of memory in use. ENERGY: 3264200 759.0183 2052.5117 1950.4125 119.9380 -206316.6299 17790.4655 0.0000 0.0000 34427.6443 -149216.6397 300.6652 -183644.2840 -149115.5420 300.0928 -210.5455 -174.5074 557527.7406 -14.7875 -14.9782 LDB: ============= START OF LOAD BALANCING ============== 9832.43 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9832.43 LDB: =============== DONE WITH MIGRATION ================ 9832.43 LDB: ============= START OF LOAD BALANCING ============== 9832.73 LDB: Largest compute 4802 load 0.030880 is 26.1% of average load 0.118210 LDB: Average compute 0.001735 is 1.5% of average load 0.118210 LDB: TIME 9832.73 LOAD: AVG 0.11821 MAX 0.20718 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.711 MB LDB: TIME 9832.73 LOAD: AVG 0.11821 MAX 0.20718 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.914 MB LDB: TIME 9832.73 LOAD: AVG 0.11821 MAX 0.20718 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.914 MB LDB: ============== END OF LOAD BALANCING =============== 9832.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9832.73 PRESSURE: 3264400 -1.61604 -179.452 54.4882 -179.451 81.3997 -5.88321 54.4877 -5.88238 -230.539 GPRESSURE: 3264400 26.4381 -136.441 -1.0354 -158.756 85.7215 16.1266 53.2416 -3.02456 -173.52 PRESSAVG: 3264400 70.7925 -11.7868 -29.487 -11.7868 -74.7834 23.9989 -29.487 23.9988 23.9313 GPRESSAVG: 3264400 71.0099 -12.4969 -29.0862 -13.1065 -75.1285 21.5819 -29.4363 24.6658 24.1885 TIMING: 3264400 CPU: 9829.52, 0.00303677/step Wall: 9829.52, 0.00303677/step, 1.46406 hours remaining, 209.136719 MB of memory in use. ENERGY: 3264400 754.4557 2082.8853 1967.0667 107.2439 -205998.9193 17738.1583 0.0000 0.0000 34357.8470 -148991.2624 300.0556 -183349.1093 -148890.0160 300.1698 -50.2518 -20.4536 557924.7692 6.6468 6.6900 PRESSURE: 3264600 -321.756 -70.2882 20.8542 -70.2888 -101.489 -73.5751 20.8536 -73.5745 215.402 GPRESSURE: 3264600 -255.901 -11.0142 81.7264 -136.627 -63.7621 -27.7285 -37.0367 -105.561 213.06 PRESSAVG: 3264600 16.7285 -22.8892 -16.8684 -22.8892 -20.3789 -18.1836 -16.8685 -18.1836 -23.8205 GPRESSAVG: 3264600 15.8259 -21.9931 -14.854 -22.2875 -18.8792 -16.5145 -17.9891 -18.1534 -24.4917 TIMING: 3264600 CPU: 9830.11, 0.00296811/step Wall: 9830.11, 0.00296811/step, 1.43079 hours remaining, 209.136719 MB of memory in use. ENERGY: 3264600 757.1209 2055.2264 1947.7585 104.8523 -206150.3156 17781.8478 0.0000 0.0000 34405.2140 -149098.2956 300.4693 -183503.5096 -149003.9438 299.6991 -69.2810 -35.5344 557208.6883 -9.1570 -9.1817 PRESSURE: 3264800 -168.505 -132.747 5.50517 -132.748 -65.1185 -185.521 5.50512 -185.52 -133.857 GPRESSURE: 3264800 -119.988 -113.394 19.4218 -62.9305 -24.4403 -219.929 -87.1547 -140.662 -119.594 PRESSAVG: 3264800 -11.3584 11.1666 20.6035 11.1665 -1.00902 -48.8077 20.6036 -48.8078 26.826 GPRESSAVG: 3264800 -11.5291 11.8219 17.8437 12.1645 -1.12112 -48.4597 22.8425 -49.373 27.1852 TIMING: 3264800 CPU: 9830.71, 0.003003/step Wall: 9830.71, 0.003003/step, 1.44745 hours remaining, 209.136719 MB of memory in use. ENERGY: 3264800 745.3228 2062.4553 1921.5638 124.3298 -205798.4425 17555.1032 0.0000 0.0000 34180.7979 -149208.8699 298.5094 -183389.6677 -149111.3276 299.6953 -122.4936 -88.0072 558559.4096 4.8195 4.8450 PRESSURE: 3265000 -140.417 205.74 58.0662 205.74 166.971 -79.173 58.0658 -79.1727 -31.2626 GPRESSURE: 3265000 -127.476 108.686 103.06 200.515 189.058 -36.6487 -22.3421 -84.4392 37.4008 PRESSAVG: 3265000 20.6997 -13.3417 -27.0185 -13.3416 -29.1156 2.79543 -27.0185 2.79536 26.2139 GPRESSAVG: 3265000 21.5868 -12.7806 -28.9041 -15.4761 -29.5798 0.13387 -26.0522 3.12868 25.8195 TIMING: 3265000 CPU: 9831.31, 0.00298043/step Wall: 9831.31, 0.00298043/step, 1.4364 hours remaining, 209.136719 MB of memory in use. ENERGY: 3265000 736.7970 2048.7773 1938.7943 114.7185 -205772.1065 17605.9001 0.0000 0.0000 34224.1337 -149102.9856 298.8879 -183327.1193 -148995.0806 299.1529 -1.5698 32.9941 557398.6284 5.9327 5.9422 PRESSURE: 3265200 -118.275 107.513 72.3982 107.515 -116.261 -94.0519 72.3983 -94.0503 -12.2179 GPRESSURE: 3265200 -91.7658 93.8399 85.4743 109.931 -98.9534 -214.072 -82.7168 114.141 43.1869 PRESSAVG: 3265200 -34.7107 51.6875 -14.5524 51.6875 34.4782 33.4342 -14.5525 33.4343 35.5505 GPRESSAVG: 3265200 -34.0785 49.9306 -13.4104 52.2553 34.019 34.7435 -17.4852 35.4167 35.7849 TIMING: 3265200 CPU: 9831.9, 0.00295427/step Wall: 9831.9, 0.00295427/step, 1.42363 hours remaining, 209.136719 MB of memory in use. ENERGY: 3265200 759.9503 2090.9777 1935.9548 94.4879 -206175.4455 17701.8985 0.0000 0.0000 34358.5397 -149233.6365 300.0617 -183592.1762 -149138.5187 299.5656 -82.2515 -49.1774 557287.6078 11.7727 11.9085 PRESSURE: 3265400 231.344 -5.74575 -20.9875 -5.7454 62.6902 -79.3549 -20.9876 -79.356 -75.6147 GPRESSURE: 3265400 262.762 -51.6224 9.19154 8.7445 129.679 -2.1367 -14.066 -163.29 -75.0847 PRESSAVG: 3265400 3.27839 36.6609 -62.6411 36.6609 5.28958 18.7724 -62.6411 18.7724 14.783 GPRESSAVG: 3265400 4.1478 34.6163 -62.0534 37.7972 5.64876 20.0102 -63.3974 16.8905 13.9597 TIMING: 3265400 CPU: 9832.5, 0.00298409/step Wall: 9832.5, 0.00298409/step, 1.43784 hours remaining, 209.136719 MB of memory in use. ENERGY: 3265400 714.2430 2097.5231 1925.5832 119.0656 -206326.2011 18100.5835 0.0000 0.0000 34158.1890 -149211.0138 298.3120 -183369.2027 -149115.6149 298.8696 72.8067 105.7855 557722.4665 7.7836 7.9187 PRESSURE: 3265600 126.872 149.553 -110.723 149.552 349.507 -50.173 -110.723 -50.1708 109.381 GPRESSURE: 3265600 182.416 95.375 -169.868 148.277 389.216 -81.7459 -104.043 -82.292 103.04 PRESSAVG: 3265600 12.6411 -16.0698 -38.5988 -16.0698 79.283 42.4224 -38.5988 42.4224 -81.1562 GPRESSAVG: 3265600 10.8667 -14.3547 -36.5741 -17.8286 78.8023 40.7869 -36.7949 43.0005 -79.2616 TIMING: 3265600 CPU: 9833.09, 0.00297955/step Wall: 9833.09, 0.00297955/step, 1.43548 hours remaining, 209.136719 MB of memory in use. ENERGY: 3265600 693.8861 2074.9943 1918.2901 119.5236 -206440.2890 18073.9586 0.0000 0.0000 34323.3679 -149236.2685 299.7545 -183559.6364 -149137.0118 299.4443 195.2530 224.8908 556114.4135 3.5893 3.4691 PRESSURE: 3265800 -8.23097 51.556 -52.9834 51.5555 -24.2302 55.1512 -52.9836 55.1524 -26.1388 GPRESSURE: 3265800 -3.47691 118.159 -45.0185 -78.2186 35.031 51.3127 68.5107 19.4339 11.4197 PRESSAVG: 3265800 35.7503 72.2177 23.6389 72.2178 79.5883 -17.1517 23.6389 -17.1518 -115.631 GPRESSAVG: 3265800 36.4163 72.9703 20.4441 72.5935 80.4701 -17.197 22.7435 -17.051 -116.628 TIMING: 3265800 CPU: 9833.69, 0.00301413/step Wall: 9833.69, 0.00301413/step, 1.45197 hours remaining, 209.136719 MB of memory in use. ENERGY: 3265800 747.9382 2086.4716 1933.1535 108.6424 -206344.6266 17715.5867 0.0000 0.0000 34554.3910 -149198.4433 301.7721 -183752.8343 -149097.0439 299.8620 -19.5333 14.3246 555904.4702 -0.0973 0.0862 PRESSURE: 3266000 -39.5832 158.056 -17.8356 158.056 -226.89 23.3129 -17.8354 23.3124 -136.305 GPRESSURE: 3266000 51.4524 174.175 -83.8036 151.176 -139.406 68.9765 35.6602 49.5622 -225.541 PRESSAVG: 3266000 31.0425 7.98781 -18.016 7.98781 52.1283 -24.44 -18.0159 -24.4401 -72.1382 GPRESSAVG: 3266000 30.043 7.54729 -16.6217 6.92923 51.7088 -24.2985 -17.8607 -24.6364 -70.9875 TIMING: 3266000 CPU: 9834.3, 0.0030007/step Wall: 9834.3, 0.0030007/step, 1.44534 hours remaining, 209.136719 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: 3266000 780.3331 2039.4222 1920.1923 112.4844 -206172.8993 17707.9954 0.0000 0.0000 34301.4608 -149311.0111 299.5632 -183612.4719 -149208.6285 299.9779 -134.2596 -104.4981 556346.6868 3.6775 3.5881 PRESSURE: 3266200 -95.9687 151.699 -37.7086 151.699 -270.458 -173.348 -37.7076 -173.348 -166.057 GPRESSURE: 3266200 -31.6579 193.464 -87.3141 68.6589 -223.479 -185.584 -1.8491 -72.1209 -187.042 PRESSAVG: 3266200 39.343 15.3948 -15.8918 15.3947 -20.6744 16.7999 -15.8917 16.8 5.44089 GPRESSAVG: 3266200 39.8628 16.6933 -16.9343 14.7026 -21.2839 18.5645 -14.9064 16.0482 4.92316 TIMING: 3266200 CPU: 9834.9, 0.0030038/step Wall: 9834.9, 0.0030038/step, 1.44667 hours remaining, 209.136719 MB of memory in use. ENERGY: 3266200 784.6801 2084.9064 1918.4195 114.0525 -205903.5961 17516.0137 0.0000 0.0000 34229.2596 -149256.2642 298.9326 -183485.5238 -149150.2740 299.6225 -177.4947 -147.3931 555995.1223 8.0365 7.8340 PRESSURE: 3266400 203.563 -124.141 103.831 -124.142 -137.319 -47.6188 103.831 -47.6197 -21.1018 GPRESSURE: 3266400 263.528 -114.49 35.5199 -31.161 -64.0923 -40.7792 83.5499 21.229 -49.6284 PRESSAVG: 3266400 50.5717 16.786 -40.9965 16.7859 -23.809 5.47786 -40.9965 5.47782 -43.9971 GPRESSAVG: 3266400 50.4643 14.7645 -41.4405 19.0281 -22.642 5.10803 -42.4145 6.39004 -44.5231 TIMING: 3266400 CPU: 9835.49, 0.00299223/step Wall: 9835.49, 0.00299223/step, 1.44092 hours remaining, 209.136719 MB of memory in use. ENERGY: 3266400 762.5751 2055.1539 1973.7775 111.2335 -205983.7832 17678.6405 0.0000 0.0000 34314.8855 -149087.5170 299.6804 -183402.4025 -148988.9374 299.7222 15.0475 49.9358 557093.2686 -5.7448 -5.5670 PRESSURE: 3266600 -143.294 56.041 52.7407 56.0417 64.0909 83.1799 52.7401 83.18 -139.338 GPRESSURE: 3266600 -79.3459 99.3526 67.687 28.8553 103.751 159.205 44.2085 -11.2838 -142.22 PRESSAVG: 3266600 -7.8639 -20.775 4.95127 -20.7751 -26.6678 21.1169 4.95129 21.117 4.58514 GPRESSAVG: 3266600 -6.91086 -19.0671 5.25456 -22.1914 -27.8223 21.0406 4.26849 18.3129 4.94282 TIMING: 3266600 CPU: 9836.09, 0.00297652/step Wall: 9836.09, 0.00297652/step, 1.43319 hours remaining, 209.136719 MB of memory in use. ENERGY: 3266600 734.5887 2093.1994 1937.1711 127.7904 -205834.0931 17657.9664 0.0000 0.0000 34198.3618 -149085.0155 298.6628 -183283.3772 -148990.7513 299.8975 -72.8471 -39.2715 556899.5589 -9.9822 -9.9301 PRESSURE: 3266800 -248.276 -208.997 -154.056 -208.997 -128.289 20.514 -154.056 20.5134 -176.724 GPRESSURE: 3266800 -194.092 -165.016 -132.373 -199.827 -97.1997 -15.817 -128.25 51.3622 -151.534 PRESSAVG: 3266800 -48.9101 0.0266497 -58.7412 0.0266857 19.7317 -31.751 -58.7413 -31.751 19.3359 GPRESSAVG: 3266800 -49.3734 -2.22697 -57.7293 0.466195 20.8138 -32.1532 -57.4763 -29.2031 18.8283 TIMING: 3266800 CPU: 9836.69, 0.0029977/step Wall: 9836.69, 0.0029977/step, 1.44322 hours remaining, 209.136719 MB of memory in use. ENERGY: 3266800 718.5636 2094.3532 1964.8705 117.5274 -205738.4319 17401.9480 0.0000 0.0000 34479.0720 -148962.0972 301.1143 -183441.1693 -148861.2741 300.3754 -184.4298 -147.6085 556976.4623 -3.2808 -3.2438 PRESSURE: 3267000 111.132 -162.348 54.2195 -162.346 -9.28954 50.4348 54.2209 50.4345 -6.9048 GPRESSURE: 3267000 121.093 -172.364 -52.8876 -65.6175 13.8271 59.0046 8.00269 15.5483 52.6249 PRESSAVG: 3267000 -2.63074 -48.1469 -53.0735 -48.147 1.37363 -32.0531 -53.0735 -32.0532 -0.588339 GPRESSAVG: 3267000 -2.58112 -47.5686 -51.5144 -47.9595 1.53939 -31.4068 -54.4101 -33.6604 -0.766155 TIMING: 3267000 CPU: 9837.29, 0.00298806/step Wall: 9837.29, 0.00298806/step, 1.43842 hours remaining, 209.136719 MB of memory in use. ENERGY: 3267000 720.2154 2127.6820 1990.7261 125.5627 -206407.2799 17879.7106 0.0000 0.0000 34322.8651 -149240.5181 299.7501 -183563.3831 -149149.9078 300.0908 31.6460 62.5149 555388.7222 -0.6151 -0.6026 PRESSURE: 3267200 -193.247 122.336 -82.0636 122.336 230.571 -82.1867 -82.0637 -82.1864 358.592 GPRESSURE: 3267200 -149.486 69.7033 -128.795 92.1893 249.719 -41.3589 -69.7223 -64.2297 398.915 PRESSAVG: 3267200 -55.278 -15.1371 23.4942 -15.1371 8.03949 14.6765 23.4944 14.6764 50.9354 GPRESSAVG: 3267200 -54.589 -16.0574 22.4958 -13.2939 8.08654 14.3327 24.5401 15.8837 51.1724 TIMING: 3267200 CPU: 9837.88, 0.002972/step Wall: 9837.88, 0.002972/step, 1.43052 hours remaining, 209.148438 MB of memory in use. ENERGY: 3267200 742.4396 2054.2602 1924.6356 122.8007 -206456.9251 18167.7253 0.0000 0.0000 34347.8086 -149097.2549 299.9680 -183445.0635 -148992.5315 299.8153 131.9719 166.3828 557375.7314 1.2323 1.5566 PRESSURE: 3267400 124.746 5.60882 185.807 5.60824 71.4683 2.71671 185.807 2.71664 -167.576 GPRESSURE: 3267400 115.694 -17.5621 228.636 1.64029 117.141 27.8246 156.474 26.2427 -111.292 PRESSAVG: 3267400 21.3367 -25.2219 -1.20345 -25.2219 3.62082 -2.77085 -1.20354 -2.77082 -14.9946 GPRESSAVG: 3267400 20.6743 -22.8524 -1.06225 -26.4678 4.74633 -1.07601 -1.14252 -3.04295 -14.8299 TIMING: 3267400 CPU: 9838.48, 0.00298191/step Wall: 9838.48, 0.00298191/step, 1.43513 hours remaining, 209.148438 MB of memory in use. ENERGY: 3267400 773.6160 2070.1465 1927.9330 116.5120 -206498.3561 18078.9585 0.0000 0.0000 34458.1908 -149072.9992 300.9320 -183531.1900 -148978.0055 299.1480 9.5462 40.5144 558451.8187 3.3210 3.5303 PRESSURE: 3267600 -16.0005 4.18263 96.3804 4.1824 199.886 -17.9867 96.38 -17.9864 118.999 GPRESSURE: 3267600 10.3451 -72.9184 77.4883 52.3186 203.588 -24.1756 120.462 -26.5154 176.934 PRESSAVG: 3267600 -94.9327 -5.71858 47.2021 -5.71848 38.177 20.7034 47.2022 20.7033 60.8616 GPRESSAVG: 3267600 -93.5905 -6.61026 45.1816 -5.32741 37.0862 18.9702 48.287 22.1621 60.083 TIMING: 3267600 CPU: 9839.08, 0.00299793/step Wall: 9839.08, 0.00299793/step, 1.44267 hours remaining, 209.148438 MB of memory in use. ENERGY: 3267600 747.4902 2013.2753 1945.1520 106.1469 -206642.0967 18217.7605 0.0000 0.0000 34463.9705 -149148.3013 300.9824 -183612.2718 -149049.2908 299.3116 100.9617 130.2892 558862.4765 1.3686 1.1929 PRESSURE: 3267800 -168.268 -175.629 -70.2675 -175.629 -274.22 -94.8634 -70.2666 -94.863 -280.345 GPRESSURE: 3267800 -145.41 -204.017 -61.618 -266.076 -206.992 17.2327 -112.888 -180.386 -272.05 PRESSAVG: 3267800 62.0591 -5.14778 -16.5974 -5.14769 6.13165 -60.1808 -16.5974 -60.1807 -35.1247 GPRESSAVG: 3267800 60.8721 -7.00096 -13.9019 -5.4957 7.16186 -59.4039 -18.2598 -60.1885 -34.202 TIMING: 3267800 CPU: 9839.68, 0.00300159/step Wall: 9839.68, 0.00300159/step, 1.44427 hours remaining, 209.148438 MB of memory in use. ENERGY: 3267800 751.8307 2029.5095 1946.9306 114.7864 -205618.4124 17535.6047 0.0000 0.0000 34144.8965 -149094.8539 298.1959 -183239.7505 -148998.5871 299.3776 -240.9446 -208.1508 561024.8940 11.0220 11.2773 PRESSURE: 3268000 136.064 -19.7483 28.8738 -19.7467 40.558 76.9166 28.8743 76.9148 -97.2722 GPRESSURE: 3268000 211.619 -15.7034 72.9502 -62.1247 63.0188 167.668 25.9232 43.7915 -96.2965 PRESSAVG: 3268000 14.2232 -30.3202 9.95311 -30.3201 11.319 -14.93 9.95315 -14.9298 -45.4671 GPRESSAVG: 3268000 13.2637 -30.2186 9.62953 -29.6122 11.3971 -16.6006 10.6602 -13.6229 -45.181 TIMING: 3268000 CPU: 9840.27, 0.00297334/step Wall: 9840.27, 0.00297334/step, 1.43051 hours remaining, 209.148438 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: 3268000 773.1624 2085.4789 1920.3051 121.5919 -206464.8933 18095.7882 0.0000 0.0000 34105.9013 -149362.6655 297.8553 -183468.5668 -149272.3006 299.4822 26.4501 59.4471 559384.8421 -6.6416 -6.8401 PRESSURE: 3268200 -237.341 -54.4945 -97.7474 -54.4937 46.4157 114.177 -97.7485 114.177 96.3644 GPRESSURE: 3268200 -180.439 -18.0288 -73.999 -38.8516 52.015 67.1233 -73.8229 98.1443 142.506 PRESSAVG: 3268200 8.83129 41.7735 -5.48706 41.7734 28.9888 56.0487 -5.48709 56.0487 11.2834 GPRESSAVG: 3268200 9.84912 44.0592 -4.19732 41.3752 27.885 55.349 -7.00439 54.0145 11.8702 TIMING: 3268200 CPU: 9840.86, 0.00295848/step Wall: 9840.86, 0.00295848/step, 1.42319 hours remaining, 209.148438 MB of memory in use. ENERGY: 3268200 774.6774 2104.8106 1935.1488 116.2333 -206247.5468 17901.6380 0.0000 0.0000 34119.9403 -149295.0984 297.9779 -183415.0387 -149200.9941 298.5505 -31.5203 4.6937 557941.4040 16.3678 16.5347 LDB: ============= START OF LOAD BALANCING ============== 9844.38 LDB: ============== END OF LOAD BALANCING =============== 9844.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9844.38 LDB: ============= START OF LOAD BALANCING ============== 9844.67 LDB: Largest compute 4802 load 0.031021 is 26.3% of average load 0.118094 LDB: Average compute 0.001735 is 1.5% of average load 0.118094 LDB: TIME 9844.68 LOAD: AVG 0.118094 MAX 0.207962 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.391 MB LDB: TIME 9844.68 LOAD: AVG 0.118094 MAX 0.207962 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.391 MB LDB: TIME 9844.68 LOAD: AVG 0.118094 MAX 0.207962 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.391 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9844.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9844.68 PRESSURE: 3268400 96.7345 15.6425 104.423 15.6435 103.754 -80.0346 104.423 -80.0343 -92.2338 GPRESSURE: 3268400 101.636 -16.4636 117.612 -13.0125 131.823 -80.3279 118.973 -102.065 -30.6061 PRESSAVG: 3268400 -0.705605 32.4913 22.3826 32.4914 26.7215 46.2308 22.3826 46.2308 -28.551 GPRESSAVG: 3268400 -1.00106 30.286 21.9233 33.6925 26.5001 47.3023 24.9926 45.2342 -28.116 TIMING: 3268400 CPU: 9841.47, 0.00301368/step Wall: 9841.47, 0.00301368/step, 1.44958 hours remaining, 209.781250 MB of memory in use. ENERGY: 3268400 740.6850 2094.1887 1939.6450 122.3538 -206078.0227 17814.5957 0.0000 0.0000 34233.9017 -149132.6528 298.9732 -183366.5545 -149028.3643 299.1457 36.0849 67.6176 558320.1514 -0.8450 -0.8723 PRESSURE: 3268600 -216.145 39.4519 -25.3152 39.451 -91.2134 97.4393 -25.3149 97.4412 -23.5695 GPRESSURE: 3268600 -203.71 62.2519 -9.75438 33.4391 23.4603 41.3796 -59.9805 97.5731 -50.0839 PRESSAVG: 3268600 14.8064 40.881 34.7112 40.8811 -23.1123 -7.58982 34.7112 -7.58984 -36.7126 GPRESSAVG: 3268600 14.4063 42.9771 33.2195 39.3076 -20.7401 -7.33769 33.7371 -7.45659 -38.9226 TIMING: 3268600 CPU: 9842.07, 0.00299231/step Wall: 9842.07, 0.00299231/step, 1.43914 hours remaining, 209.984375 MB of memory in use. ENERGY: 3268600 734.5955 2066.0111 1947.5003 113.1443 -206127.6955 17703.9749 0.0000 0.0000 34395.9311 -149166.5383 300.3882 -183562.4694 -149067.3916 299.3904 -110.3093 -76.7779 558248.5906 -15.0062 -15.0855 PRESSURE: 3268800 -246.984 37.6867 37.675 37.6857 -166.361 5.97118 37.6735 5.97003 -96.7444 GPRESSURE: 3268800 -250.351 58.8085 -87.0728 82.4636 -122.197 -69.0844 -8.5971 15.9176 -49.519 PRESSAVG: 3268800 40.0737 -54.1752 45.6946 -54.1752 72.4383 -12.539 45.6946 -12.539 -31.6599 GPRESSAVG: 3268800 39.5534 -55.5434 44.5734 -53.1814 71.251 -12.3191 45.204 -11.569 -29.77 TIMING: 3268800 CPU: 9842.66, 0.00296293/step Wall: 9842.66, 0.00296293/step, 1.42484 hours remaining, 209.984375 MB of memory in use. ENERGY: 3268800 757.2500 2068.4774 1924.9073 109.6050 -205663.9757 17350.8895 0.0000 0.0000 34305.4642 -149147.3823 299.5982 -183452.8465 -149046.5214 299.8342 -170.0298 -140.6890 556418.6676 26.9507 27.0115 PRESSURE: 3269000 -279.609 90.6486 -3.32424 90.6493 -179.273 -45.9846 -3.32419 -45.9836 257.626 GPRESSURE: 3269000 -213.993 78.9822 -22.0398 42.5915 -162.872 -30.3671 -34.9297 -35.9122 262.435 PRESSAVG: 3269000 -28.8259 52.9763 -67.3723 52.9763 59.0518 25.7969 -67.3722 25.7971 -25.2343 GPRESSAVG: 3269000 -29.6136 54.8789 -65.8486 51.2674 58.9715 26.5631 -64.8573 26.2232 -24.6406 TIMING: 3269000 CPU: 9843.26, 0.00299009/step Wall: 9843.26, 0.00299009/step, 1.43774 hours remaining, 210.109375 MB of memory in use. ENERGY: 3269000 746.3958 2106.6263 1934.9792 118.4306 -206029.9811 17657.6413 0.0000 0.0000 34191.1997 -149274.7081 298.6003 -183465.9078 -149177.1561 299.3547 -67.0853 -38.1433 557582.8537 1.6639 1.5724 PRESSURE: 3269200 -112.207 -83.8523 5.72179 -83.8516 -232.756 15.3221 5.72019 15.3229 -200.084 GPRESSURE: 3269200 -79.2376 -97.611 15.0127 -62.7688 -182.769 125.907 -43.4884 -75.5548 -184.19 PRESSAVG: 3269200 -9.05665 18.9746 -55.472 18.9745 21.8094 -30.5025 -55.472 -30.5026 20.0933 GPRESSAVG: 3269200 -7.67925 15.8097 -55.2885 20.1239 21.6272 -30.7366 -56.8232 -30.5233 19.1357 TIMING: 3269200 CPU: 9843.86, 0.0030096/step Wall: 9843.86, 0.0030096/step, 1.44695 hours remaining, 210.109375 MB of memory in use. ENERGY: 3269200 738.4278 2060.3682 1928.5509 107.8886 -205861.5405 17523.8067 0.0000 0.0000 34275.9236 -149226.5747 299.3402 -183502.4983 -149132.6250 299.4179 -181.6823 -148.7322 557917.3820 10.9487 11.0279 PRESSURE: 3269400 212.239 13.6106 -109.004 13.6105 124.339 -17.1985 -109.005 -17.1986 -162.137 GPRESSURE: 3269400 231.85 81.781 -89.9372 -73.3402 160.717 77.3047 -167.258 -34.9728 -123.003 PRESSAVG: 3269400 3.46781 4.55672 12.9444 4.55674 71.8718 -17.0447 12.9443 -17.0449 -81.3708 GPRESSAVG: 3269400 3.51625 6.61636 15.1257 5.03984 72.0037 -18.9257 12.2513 -16.3579 -81.4891 TIMING: 3269400 CPU: 9844.46, 0.00298887/step Wall: 9844.46, 0.00298887/step, 1.43681 hours remaining, 210.109375 MB of memory in use. ENERGY: 3269400 761.6824 2058.0265 1945.3550 107.6831 -206574.1981 18020.9389 0.0000 0.0000 34466.7256 -149213.7866 301.0065 -183680.5122 -149119.6688 299.3819 58.1471 89.8547 556548.4609 -2.0104 -1.9897 PRESSURE: 3269600 -121.923 104.866 -104.006 104.864 -351.994 62.9697 -104.007 62.9697 -265.284 GPRESSURE: 3269600 -59.8268 137.479 -149.727 70.8061 -336.834 130.946 -42.8148 -4.28345 -243.445 PRESSAVG: 3269600 54.2578 63.1156 -22.3493 63.1155 2.42669 -5.31401 -22.3492 -5.31407 -18.7955 GPRESSAVG: 3269600 55.2652 60.1567 -24.0706 65.3377 1.89005 -4.69294 -22.7737 -6.45577 -19.0355 TIMING: 3269600 CPU: 9845.06, 0.00301178/step Wall: 9845.06, 0.00301178/step, 1.44766 hours remaining, 210.109375 MB of memory in use. ENERGY: 3269600 768.8593 2084.0092 1935.1330 117.2158 -206074.2989 17567.2983 0.0000 0.0000 34227.8202 -149373.9630 298.9201 -183601.7832 -149286.0718 299.8714 -246.4003 -213.3687 558606.4193 12.6297 12.7066 PRESSURE: 3269800 -125.744 83.1108 26.0542 83.1113 -270.622 -74.2278 26.0534 -74.2262 -94.3864 GPRESSURE: 3269800 -63.2905 13.5206 17.1759 86.2147 -240.608 -186.705 28.3694 -6.67324 -86.7956 PRESSAVG: 3269800 73.6663 72.1566 -25.341 72.1566 -19.4667 2.92478 -25.341 2.92472 -69.5881 GPRESSAVG: 3269800 72.6499 73.1059 -25.5918 70.7119 -19.1058 4.16829 -25.3638 2.71358 -68.8572 TIMING: 3269800 CPU: 9845.66, 0.00301259/step Wall: 9845.66, 0.00301259/step, 1.44789 hours remaining, 210.109375 MB of memory in use. ENERGY: 3269800 760.2719 2040.1151 1925.4588 103.2681 -206112.7258 17623.8847 0.0000 0.0000 34413.2923 -149246.4347 300.5398 -183659.7270 -149149.7125 299.1977 -163.5840 -130.2315 558684.9625 -5.1295 -5.1044 PRESSURE: 3270000 -72.6091 266.762 167.53 266.762 -52.3194 72.6877 167.531 72.689 -83.5482 GPRESSURE: 3270000 -70.9088 189.235 230.257 309.7 9.32759 97.5491 165.681 32.8755 -55.1018 PRESSAVG: 3270000 19.4037 3.80079 -4.58932 3.80075 11.5811 -34.2107 -4.58935 -34.2107 -14.2259 GPRESSAVG: 3270000 20.2616 4.14792 -4.69274 4.00258 11.2875 -35.2074 -3.07064 -33.2126 -14.6117 TIMING: 3270000 CPU: 9846.26, 0.00301441/step Wall: 9846.26, 0.00301441/step, 1.44859 hours remaining, 210.109375 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: 3270000 746.5781 2085.0576 1904.4706 125.1587 -205866.4304 17538.3849 0.0000 0.0000 34215.2435 -149251.5371 298.8102 -183466.7806 -149158.4395 298.9427 -69.4922 -38.8943 556908.5400 5.5863 5.6458 PRESSURE: 3270200 29.1207 54.8582 72.0135 54.859 140.622 -50.9724 72.0134 -50.972 -138.113 GPRESSURE: 3270200 2.26136 26.4313 -33.2388 116.903 174.636 -14.2668 115.406 13.7263 -54.4551 PRESSAVG: 3270200 -68.3611 -12.5682 29.6504 -12.5683 63.9774 13.0544 29.6504 13.0542 -25.3132 GPRESSAVG: 3270200 -69.3539 -11.6057 28.948 -14.3129 64.2247 14.4473 28.2218 12.0383 -25.2208 TIMING: 3270200 CPU: 9846.87, 0.00305858/step Wall: 9846.87, 0.00305858/step, 1.46965 hours remaining, 210.109375 MB of memory in use. ENERGY: 3270200 749.0260 2072.0576 1928.0889 110.0737 -206024.7343 17761.1964 0.0000 0.0000 34242.8934 -149161.3983 299.0517 -183404.2917 -149067.3577 299.6833 10.5435 40.8142 557291.9868 -9.8989 -10.1167 PRESSURE: 3270400 151.443 21.7164 -150.355 21.7164 90.7691 -172.72 -150.354 -172.72 80.2992 GPRESSURE: 3270400 160.524 16.3877 -129.736 -43.3735 144.8 -109.448 -191.845 -276.108 101.948 PRESSAVG: 3270400 26.5282 -3.74304 -0.00709508 -3.74306 75.5216 15.3748 -0.00704071 15.3749 -61.687 GPRESSAVG: 3270400 26.3132 -3.65537 -0.0674454 -4.62723 76.6638 13.8266 -0.191667 15.0032 -62.9442 TIMING: 3270400 CPU: 9847.48, 0.00302127/step Wall: 9847.48, 0.00302127/step, 1.45155 hours remaining, 210.109375 MB of memory in use. ENERGY: 3270400 717.8606 2119.1278 1892.4096 113.2531 -206432.9480 17957.4666 0.0000 0.0000 34378.8037 -149254.0267 300.2386 -183632.8304 -149153.6522 299.6638 107.5036 135.7573 557943.7444 13.4543 13.3443 PRESSURE: 3270600 -7.15971 -22.6549 38.9468 -22.6554 -100.018 27.5186 38.9468 27.5203 -193.822 GPRESSURE: 3270600 -8.72223 88.9306 55.4648 -38.7755 -57.5806 56.1734 -14.7606 122.745 -133.571 PRESSAVG: 3270600 -22.3431 -10.9698 -26.6796 -10.9699 84.2823 -22.5139 -26.6796 -22.5139 -30.8961 GPRESSAVG: 3270600 -22.7334 -8.93252 -26.1607 -10.6907 82.9404 -21.2005 -26.5441 -20.992 -29.6915 TIMING: 3270600 CPU: 9848.08, 0.00301062/step Wall: 9848.08, 0.00301062/step, 1.44627 hours remaining, 210.109375 MB of memory in use. ENERGY: 3270600 747.6384 2068.6918 1901.1920 108.7536 -205954.2878 17687.7861 0.0000 0.0000 34227.3936 -149212.8321 298.9163 -183440.2257 -149111.4286 298.8196 -100.3334 -66.6246 557424.6376 10.3477 10.1718 PRESSURE: 3270800 -205.229 37.6043 8.16074 37.6036 51.5683 -42.5807 8.16138 -42.58 -182.316 GPRESSURE: 3270800 -134.792 -9.57146 26.3495 91.2828 50.7314 -131.572 85.9337 -28.7009 -149.319 PRESSAVG: 3270800 10.7527 65.0433 30.6386 65.0434 70.8159 33.5147 30.6386 33.5147 -17.7181 GPRESSAVG: 3270800 11.3733 62.6832 32.6085 65.9258 70.021 30.8461 30.5915 34.2433 -17.5825 TIMING: 3270800 CPU: 9848.68, 0.00300929/step Wall: 9848.68, 0.00300929/step, 1.44546 hours remaining, 210.109375 MB of memory in use. ENERGY: 3270800 732.4474 2132.2252 1916.1859 108.5468 -205929.8666 17613.7868 0.0000 0.0000 34249.0999 -149177.5746 299.1059 -183426.6745 -149083.5159 299.2566 -111.9923 -77.7930 557814.1528 21.2835 21.2706 PRESSURE: 3271000 113.258 123.943 36.9939 123.942 -126.09 -130.164 36.9931 -130.164 -17.3054 GPRESSURE: 3271000 172.122 184.119 57.3556 108.666 -35.0957 -195.453 25.9351 -90.8022 -61.7809 PRESSAVG: 3271000 0.789994 41.2516 49.652 41.2515 -12.9238 11.4955 49.6521 11.4957 -60.3728 GPRESSAVG: 3271000 0.606008 40.4393 49.218 41.755 -11.3258 11.8045 49.1922 10.2174 -62.0069 TIMING: 3271000 CPU: 9849.28, 0.00297396/step Wall: 9849.28, 0.00297396/step, 1.42833 hours remaining, 210.109375 MB of memory in use. ENERGY: 3271000 784.2921 2084.2473 1883.3358 119.8127 -206229.9076 17951.9194 0.0000 0.0000 34293.4000 -149112.9004 299.4928 -183406.3003 -149016.6753 299.2119 -10.0460 25.0819 558468.7433 -24.1689 -24.2422 PRESSURE: 3271200 234.477 -6.32899 -147.764 -6.32836 57.0923 11.836 -147.765 11.8346 -178.552 GPRESSURE: 3271200 257.02 35.8083 -157.075 -9.47524 125.242 -4.22601 -170.184 30.8119 -169.035 PRESSAVG: 3271200 61.1263 9.5968 -28.015 9.59686 35.8668 -41.1079 -28.0151 -41.1079 -65.2551 GPRESSAVG: 3271200 61.8575 10.2069 -28.9545 7.30498 34.3959 -41.3828 -26.8816 -40.0451 -64.6048 TIMING: 3271200 CPU: 9849.88, 0.00298998/step Wall: 9849.88, 0.00298998/step, 1.43585 hours remaining, 210.109375 MB of memory in use. ENERGY: 3271200 769.2808 2126.2876 1906.2030 126.9032 -206274.6305 17907.4023 0.0000 0.0000 34233.9720 -149204.5816 298.9738 -183438.5536 -149109.9309 299.6007 37.6725 71.0755 558525.8167 10.5793 10.5496 PRESSURE: 3271400 180.514 -89.3701 49.2381 -89.3695 -290.182 -80.0745 49.2373 -80.0728 -34.548 GPRESSURE: 3271400 247.124 -107.972 38.0004 -64.9938 -278.293 -91.2571 44.3473 -2.23633 -27.1855 PRESSAVG: 3271400 30.4349 -26.5254 -15.561 -26.5253 29.8978 -48.2096 -15.561 -48.2096 -41.2403 GPRESSAVG: 3271400 28.8092 -26.0997 -13.207 -24.3808 30.9486 -46.0641 -16.8778 -48.2055 -40.3825 TIMING: 3271400 CPU: 9850.47, 0.00298976/step Wall: 9850.47, 0.00298976/step, 1.43558 hours remaining, 210.109375 MB of memory in use. ENERGY: 3271400 807.1786 2018.4618 1934.7712 113.6466 -206262.3010 17977.0623 0.0000 0.0000 34414.4303 -148996.7502 300.5498 -183411.1806 -148904.3592 300.2479 -48.0722 -19.4515 557641.7416 6.3641 6.4584 PRESSURE: 3271600 -271.941 203.419 13.2019 203.421 -119.7 -34.736 13.2033 -34.7341 -116.688 GPRESSURE: 3271600 -236.053 179.943 -63.5422 217.284 -100.772 24.2183 32.6198 -61.2851 -67.254 PRESSAVG: 3271600 -30.775 -43.9599 12.0988 -43.96 51.9019 -4.43133 12.0987 -4.43127 -45.0406 GPRESSAVG: 3271600 -29.7906 -45.5067 11.0869 -43.1233 51.2456 -5.47546 13.7984 -4.56229 -46.179 TIMING: 3271600 CPU: 9851.07, 0.00298139/step Wall: 9851.07, 0.00298139/step, 1.4314 hours remaining, 210.109375 MB of memory in use. ENERGY: 3271600 742.5766 2031.8617 1937.6025 112.8527 -205925.2284 17631.2093 0.0000 0.0000 34438.6758 -149030.4499 300.7615 -183469.1257 -148933.4192 299.8553 -169.4430 -134.6928 558067.9739 -7.9712 -8.2413 PRESSURE: 3271800 -280.586 -50.3711 -118.517 -50.371 33.8196 96.5152 -118.517 96.5145 -302.521 GPRESSURE: 3271800 -210.104 -123.986 -135.004 -50.6041 110.78 138.217 -72.3048 9.39638 -356.97 PRESSAVG: 3271800 5.71236 -1.38779 -31.5805 -1.3878 11.396 73.9506 -31.5804 73.9506 -26.5296 GPRESSAVG: 3271800 4.76234 -1.35874 -31.5594 -2.15069 11.2987 75.3515 -32.8416 71.1063 -26.3127 TIMING: 3271800 CPU: 9851.67, 0.0030009/step Wall: 9851.67, 0.0030009/step, 1.4406 hours remaining, 210.109375 MB of memory in use. ENERGY: 3271800 752.2497 2043.8205 1928.5400 116.9717 -205680.1789 17514.9712 0.0000 0.0000 34230.4364 -149093.1894 298.9429 -183323.6258 -149000.4432 299.3747 -183.0960 -152.0980 558214.6641 -3.1404 -3.4172 PRESSURE: 3272000 86.2603 -124.739 7.88658 -124.74 -301.288 69.1387 7.88616 69.1391 -241.951 GPRESSURE: 3272000 80.7721 -114.22 -30.5259 -223.29 -246.439 84.9078 4.2584 99.7974 -196.646 PRESSAVG: 3272000 94.8215 -32.1407 -23.5927 -32.1408 -29.121 39.179 -23.5926 39.1789 -66.3544 GPRESSAVG: 3272000 95.3493 -30.4299 -24.0862 -33.7846 -29.4435 39.6475 -24.7141 40.0699 -66.332 TIMING: 3272000 CPU: 9852.27, 0.00300079/step Wall: 9852.27, 0.00300079/step, 1.44038 hours remaining, 210.109375 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: 3272000 749.8804 2067.0766 1895.4843 123.0476 -205570.0951 17556.9959 0.0000 0.0000 34244.8377 -148932.7725 299.0687 -183177.6103 -148838.6318 299.1061 -152.3263 -120.7712 559202.4035 -0.2180 -0.1421 PRESSURE: 3272200 -135.326 -58.7185 -2.06091 -58.7165 176.696 118.945 -2.06064 118.947 -68.1992 GPRESSURE: 3272200 -72.639 2.03223 98.027 -59.3768 201.22 86.6513 10.9648 184.397 -41.3026 PRESSAVG: 3272200 25.4556 -76.8473 31.5975 -76.8473 -11.1416 -13.0183 31.5976 -13.0184 -10.5279 GPRESSAVG: 3272200 25.4176 -78.6138 32.6878 -74.3593 -9.84175 -13.017 31.8057 -12.7049 -12.031 TIMING: 3272200 CPU: 9852.87, 0.00302267/step Wall: 9852.87, 0.00302267/step, 1.45072 hours remaining, 210.109375 MB of memory in use. ENERGY: 3272200 725.6425 2061.6490 1928.4165 99.7737 -205911.1366 17799.7943 0.0000 0.0000 34328.6340 -148967.2266 299.8005 -183295.8606 -148876.9657 299.6409 -8.9432 29.0927 558149.1488 1.2620 1.1816 LDB: ============= START OF LOAD BALANCING ============== 9856.39 LDB: ============== END OF LOAD BALANCING =============== 9856.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9856.39 LDB: ============= START OF LOAD BALANCING ============== 9856.7 LDB: Largest compute 4802 load 0.028514 is 24.1% of average load 0.118169 LDB: Average compute 0.001727 is 1.5% of average load 0.118169 LDB: TIME 9856.7 LOAD: AVG 0.118169 MAX 0.211669 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 9856.7 LOAD: AVG 0.118169 MAX 0.211669 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: TIME 9856.7 LOAD: AVG 0.118169 MAX 0.211669 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9856.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9856.71 PRESSURE: 3272400 -4.22753 109.424 -11.1646 109.425 -229.327 -124.445 -11.1645 -124.445 -119.579 GPRESSURE: 3272400 0.105724 135.365 -38.9806 74.0168 -169.733 -36.4457 -44.7811 -125.711 -81.8689 PRESSAVG: 3272400 65.5391 -32.1849 -17.4924 -32.185 3.42759 -8.9336 -17.4924 -8.93355 -81.3787 GPRESSAVG: 3272400 65.7841 -31.8565 -20.4264 -33.1717 1.9529 -11.1881 -16.2321 -7.28413 -79.965 TIMING: 3272400 CPU: 9853.49, 0.00307733/step Wall: 9853.49, 0.00307733/step, 1.47678 hours remaining, 209.570312 MB of memory in use. ENERGY: 3272400 720.5045 2129.3937 1933.6651 106.9091 -205925.5334 17690.2662 0.0000 0.0000 34224.9928 -149119.8020 298.8954 -183344.7948 -149023.4525 299.7753 -117.7110 -83.8322 558000.2480 -4.1373 -4.0760 PRESSURE: 3272600 38.105 -116.18 211.019 -116.181 -69.7163 150.501 211.019 150.499 66.8885 GPRESSURE: 3272600 38.32 -100.113 266.333 -166.221 42.2213 116.828 170.902 96.1232 60.9082 PRESSAVG: 3272600 6.08784 10.8435 27.4719 10.8434 12.2808 55.2007 27.4718 55.2006 -45.1573 GPRESSAVG: 3272600 4.63549 11.2403 28.2144 10.1331 14.1149 55.9747 26.2369 54.5674 -45.4901 TIMING: 3272600 CPU: 9854.08, 0.00297257/step Wall: 9854.08, 0.00297257/step, 1.42634 hours remaining, 209.773438 MB of memory in use. ENERGY: 3272600 730.7854 2040.8318 1932.8952 114.5355 -206061.7710 17845.5091 0.0000 0.0000 34238.5942 -149158.6198 299.0142 -183397.2140 -149063.9816 299.7589 11.7591 47.1498 558417.0298 -8.9296 -8.9133 PRESSURE: 3272800 -31.7452 64.6521 -23.6859 64.653 -288.618 -212.529 -23.6861 -212.528 -178.465 GPRESSURE: 3272800 -55.1607 64.3894 25.1482 50.5599 -222.623 -262.216 -23.56 -117.949 -123.04 PRESSAVG: 3272800 60.2448 27.8636 82.7296 27.8637 -44.1921 8.37865 82.7296 8.3787 3.26104 GPRESSAVG: 3272800 60.5762 28.0974 83.2253 26.6722 -45.3916 10.4105 84.2172 7.79138 4.68042 TIMING: 3272800 CPU: 9854.69, 0.00300202/step Wall: 9854.69, 0.00300202/step, 1.4403 hours remaining, 209.773438 MB of memory in use. ENERGY: 3272800 754.4918 2066.4042 1927.3666 120.1446 -205570.1036 17438.3271 0.0000 0.0000 34265.5948 -148997.7746 299.2500 -183263.3694 -148900.9941 299.4644 -166.2760 -133.6078 558115.4204 6.4379 6.6217 PRESSURE: 3273000 -154.257 -44.3978 74.4427 -44.397 -143.054 -40.1504 74.4442 -40.1513 -61.3698 GPRESSURE: 3273000 -100.743 32.1614 33.5248 -168.479 -86.9861 -103.112 122.457 41.5899 -70.5659 PRESSAVG: 3273000 -49.8505 18.0318 40.9119 18.0317 59.1047 0.220927 40.912 0.221008 17.7795 GPRESSAVG: 3273000 -49.0434 16.8835 41.341 19.2915 59.2955 -2.24537 40.1728 1.13152 16.5382 TIMING: 3273000 CPU: 9855.29, 0.00301411/step Wall: 9855.29, 0.00301411/step, 1.44594 hours remaining, 209.773438 MB of memory in use. ENERGY: 3273000 744.4698 2080.5833 1937.1929 121.2656 -206032.8534 17548.1374 0.0000 0.0000 34466.4697 -149134.7347 301.0043 -183601.2044 -149035.0970 299.5766 -119.5603 -86.0982 556263.8889 9.0112 8.9301 PRESSURE: 3273200 77.4614 59.8707 -40.0629 59.8708 -68.882 -33.9789 -40.0629 -33.9794 -215.363 GPRESSURE: 3273200 39.0138 107.369 3.49353 -15.9197 -34.121 -45.8852 -61.1878 -78.3519 -120.524 PRESSAVG: 3273200 -18.7518 28.8162 -9.45379 28.8163 37.0464 15.1445 -9.45381 15.1445 -7.52931 GPRESSAVG: 3273200 -19.9702 30.7781 -8.47165 27.2669 36.4894 15.3964 -9.19257 16.0135 -6.28742 TIMING: 3273200 CPU: 9855.89, 0.00299481/step Wall: 9855.89, 0.00299481/step, 1.43651 hours remaining, 209.773438 MB of memory in use. ENERGY: 3273200 762.2302 2132.6203 1930.8637 118.5370 -206107.4591 17653.6992 0.0000 0.0000 34367.3114 -149142.1973 300.1383 -183509.5086 -149040.3714 300.1355 -68.9279 -38.5436 556579.1315 3.5884 3.4106 PRESSURE: 3273400 -203.35 -81.37 36.7251 -81.3704 222.447 3.20011 36.7261 3.19903 -364.057 GPRESSURE: 3273400 -211.112 -69.8527 65.0524 -72.8608 278.894 -33.7822 17.3942 -71.4446 -314.491 PRESSAVG: 3273400 -37.1239 -48.3745 19.9553 -48.3745 59.4141 -20.8148 19.9552 -20.8147 -9.091 GPRESSAVG: 3273400 -36.3663 -49.9726 20.3476 -47.1613 59.3212 -20.5113 18.7002 -21.4421 -10.0131 TIMING: 3273400 CPU: 9856.48, 0.00297723/step Wall: 9856.48, 0.00297723/step, 1.42791 hours remaining, 209.773438 MB of memory in use. ENERGY: 3273400 759.9831 2118.0981 1931.8390 113.1857 -205943.6738 17656.0057 0.0000 0.0000 34179.9771 -149184.5851 298.5022 -183364.5623 -149091.6614 299.8562 -114.9867 -82.2363 558457.9536 4.3997 4.3140 PRESSURE: 3273600 -7.24054 49.9865 46.4246 49.9871 -49.8729 39.8393 46.425 39.839 -229.133 GPRESSURE: 3273600 51.4835 23.7624 111.742 76.0175 5.81166 -11.4411 -9.64139 31.2296 -245.004 PRESSAVG: 3273600 -18.1578 -21.5473 11.2431 -21.5474 39.7525 -13.4684 11.2431 -13.4685 -66.9675 GPRESSAVG: 3273600 -18.1945 -22.2582 9.69364 -22.1335 40.2588 -13.3509 10.4622 -13.9513 -66.8258 TIMING: 3273600 CPU: 9857.08, 0.00300844/step Wall: 9857.08, 0.00300844/step, 1.44272 hours remaining, 209.773438 MB of memory in use. ENERGY: 3273600 754.6233 2068.6294 1952.7857 103.2320 -205877.1183 17632.5879 0.0000 0.0000 34192.3290 -149172.9309 298.6101 -183365.2599 -149074.8430 299.4078 -95.4155 -62.5698 558849.9517 -15.1242 -14.9205 PRESSURE: 3273800 65.3497 22.5462 -75.9705 22.5468 329.682 -29.4871 -75.971 -29.4881 -181.401 GPRESSURE: 3273800 108.34 34.4196 -82.6436 54.1527 319.901 -82.2909 -6.29355 -42.0692 -121.708 PRESSAVG: 3273800 10.8796 -45.2175 -20.5332 -45.2174 65.3454 -14.8305 -20.5333 -14.8305 -43.9397 GPRESSAVG: 3273800 10.9072 -43.1656 -21.6975 -44.4797 65.1289 -13.3335 -17.4198 -15.5874 -43.5204 TIMING: 3273800 CPU: 9857.68, 0.00298393/step Wall: 9857.68, 0.00298393/step, 1.4308 hours remaining, 209.773438 MB of memory in use. ENERGY: 3273800 704.0710 2094.7019 1950.8469 127.4885 -206212.5866 17707.6554 0.0000 0.0000 34412.9248 -149214.8980 300.5366 -183627.8228 -149118.7789 299.5705 71.2100 102.1778 556057.7396 10.7617 10.8385 PRESSURE: 3274000 10.2458 33.0158 79.4173 33.0152 -127.253 -0.57456 79.4171 -0.575984 -234.544 GPRESSURE: 3274000 30.0542 -22.0194 62.9441 56.9005 -94.4613 -15.6961 140.572 -0.983313 -193.059 PRESSAVG: 3274000 12.2002 -53.978 -67.6041 -53.9781 47.5695 -59.6016 -67.6041 -59.6017 -46.7069 GPRESSAVG: 3274000 12.5618 -53.7344 -67.893 -54.6787 48.2021 -59.6662 -69.9824 -60.6984 -47.4606 TIMING: 3274000 CPU: 9858.28, 0.00298964/step Wall: 9858.28, 0.00298964/step, 1.43337 hours remaining, 209.773438 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: 3274000 719.9672 2073.4262 1966.5949 112.7045 -205929.5655 17575.0790 0.0000 0.0000 34287.8507 -149193.9429 299.4443 -183481.7936 -149096.3335 299.4222 -117.1838 -85.8220 558162.6716 4.3543 4.4344 PRESSURE: 3274200 -56.5205 -33.0074 103.622 -33.0064 98.6761 -109.693 103.622 -109.693 229.28 GPRESSURE: 3274200 -25.6074 -52.6001 31.4281 -46.0924 165.642 -56.4806 169.528 -143.95 236.767 PRESSAVG: 3274200 -28.8106 -8.28876 34.8706 -8.28878 27.0334 -16.4009 34.8705 -16.4009 -16.1692 GPRESSAVG: 3274200 -28.6616 -8.62815 36.8438 -7.16553 26.6143 -17.762 36.3489 -13.5849 -15.8755 TIMING: 3274200 CPU: 9858.88, 0.00298742/step Wall: 9858.88, 0.00298742/step, 1.43214 hours remaining, 209.773438 MB of memory in use. ENERGY: 3274200 738.9482 2113.5148 1911.9460 114.9661 -206482.1092 18229.9322 0.0000 0.0000 34303.8449 -149068.9569 299.5840 -183372.8018 -148968.3579 300.1863 90.4786 125.6006 558643.9795 -5.9822 -5.9743 PRESSURE: 3274400 -45.5756 75.0672 -116.789 75.0677 -48.1064 65.8413 -116.788 65.8409 119.212 GPRESSURE: 3274400 -36.3319 92.2145 -203.833 77.6197 -7.20978 -1.96123 -89.7482 125.402 172.41 PRESSAVG: 3274400 -30.8014 -4.60145 0.801893 -4.6014 11.7908 12.7772 0.801983 12.7771 28.5624 GPRESSAVG: 3274400 -31.1883 -3.32704 0.598778 -4.99786 11.5606 12.7019 0.267808 12.1782 29.8004 TIMING: 3274400 CPU: 9859.47, 0.00297956/step Wall: 9859.47, 0.00297956/step, 1.4282 hours remaining, 209.773438 MB of memory in use. ENERGY: 3274400 750.6754 2032.6906 1930.3786 128.4958 -205985.0263 17795.9680 0.0000 0.0000 34310.9454 -149035.8724 299.6460 -183346.8178 -148940.8524 300.0344 8.5100 42.9561 557961.7978 3.1839 3.3909 PRESSURE: 3274600 216.652 -17.3411 160.932 -17.3418 -32.1174 6.23917 160.932 6.23873 -54.9988 GPRESSURE: 3274600 208.185 32.1233 200.838 -9.87879 5.87556 84.4933 90.7536 38.1101 29.2378 PRESSAVG: 3274600 -26.8171 21.3934 -14.5664 21.3934 -41.6896 55.2024 -14.5665 55.2024 79.0262 GPRESSAVG: 3274600 -26.6827 20.7738 -15.1021 19.8052 -40.2773 56.4397 -13.7463 53.3877 77.9459 TIMING: 3274600 CPU: 9860.07, 0.00298295/step Wall: 9860.07, 0.00298295/step, 1.42966 hours remaining, 209.773438 MB of memory in use. ENERGY: 3274600 749.2343 2061.1136 1953.8750 121.7384 -206008.9788 17746.7831 0.0000 0.0000 34280.8678 -149095.3665 299.3833 -183376.2344 -149001.6914 300.2807 43.1786 81.0994 557093.5201 3.5065 3.6620 PRESSURE: 3274800 129.034 2.96067 -28.2831 2.9619 10.5314 9.0235 -28.2824 9.0214 -340.119 GPRESSURE: 3274800 226.252 88.5791 -116.427 -49.4261 18.5546 22.1987 64.5675 100.234 -331.873 PRESSAVG: 3274800 19.673 -13.4553 -36.7726 -13.4553 -50.0637 -26.0116 -36.7727 -26.0115 11.1842 GPRESSAVG: 3274800 19.71 -15.2233 -37.4943 -9.90505 -50.6573 -27.121 -36.4807 -26.4319 11.9243 TIMING: 3274800 CPU: 9860.68, 0.00303249/step Wall: 9860.68, 0.00303249/step, 1.45324 hours remaining, 209.773438 MB of memory in use. ENERGY: 3274800 723.5506 2156.2421 1934.2344 124.8547 -206174.6221 17761.4615 0.0000 0.0000 34318.8322 -149155.4467 299.7149 -183474.2789 -149058.4395 299.0802 -66.8511 -29.0222 557553.5766 -6.4022 -6.3410 PRESSURE: 3275000 265.007 59.9309 37.8062 59.931 -206.658 52.0497 37.8061 52.0489 -34.0419 GPRESSURE: 3275000 206.377 38.4818 131.445 17.1829 -65.9655 79.2173 14.7733 -29.2759 -17.3076 PRESSAVG: 3275000 76.6395 57.6591 -80.7306 57.6591 -47.7899 40.4288 -80.7306 40.4288 15.8129 GPRESSAVG: 3275000 78.1873 59.2036 -79.4921 56.3459 -48.2059 41.784 -82.3663 41.4216 15.0973 TIMING: 3275000 CPU: 9861.28, 0.00301192/step Wall: 9861.28, 0.00301192/step, 1.44321 hours remaining, 209.773438 MB of memory in use. ENERGY: 3275000 766.1039 2091.3406 1942.9003 109.6424 -206333.6095 17914.5307 0.0000 0.0000 34405.4895 -149103.6020 300.4717 -183509.0915 -149004.2984 299.9494 8.1022 41.0346 555860.5690 14.8875 15.0262 PRESSURE: 3275200 8.40566 -90.6158 168.625 -90.6158 -37.0227 -67.2937 168.626 -67.2935 -176.829 GPRESSURE: 3275200 -13.3684 -24.355 61.4177 -104.401 -6.68651 -62.4418 201.048 -80.8081 -92.304 PRESSAVG: 3275200 3.75957 -4.73025 -53.4329 -4.73025 -44.2791 18.3664 -53.433 18.3664 8.89875 GPRESSAVG: 3275200 2.94362 -2.90523 -55.8414 -6.45243 -43.948 17.1968 -51.5396 18.2583 9.72689 TIMING: 3275200 CPU: 9861.88, 0.00301557/step Wall: 9861.88, 0.00301557/step, 1.44479 hours remaining, 209.773438 MB of memory in use. ENERGY: 3275200 763.6026 2177.1838 1957.9591 117.7735 -206089.3613 17645.7402 0.0000 0.0000 34272.2963 -149154.8058 299.3085 -183427.1021 -149060.3529 299.5621 -68.4819 -37.4530 555919.9581 -10.5402 -10.4258 PRESSURE: 3275400 -107.813 -28.3744 -283.412 -28.3755 -278.5 -107.876 -283.412 -107.877 -189.801 GPRESSURE: 3275400 -120.603 46.3148 -182.945 35.5229 -240.126 -40.4027 -240.772 -191.978 -113.543 PRESSAVG: 3275400 -7.80482 35.1246 -14.4675 35.1245 -33.8085 -9.62477 -14.4676 -9.6247 21.7207 GPRESSAVG: 3275400 -7.85283 33.5039 -12.0855 35.0823 -33.1178 -10.4683 -16.2531 -7.86203 20.6549 TIMING: 3275400 CPU: 9862.47, 0.00296355/step Wall: 9862.47, 0.00296355/step, 1.4197 hours remaining, 209.773438 MB of memory in use. ENERGY: 3275400 769.8680 2090.5594 1941.7434 114.9011 -205661.7051 17307.8518 0.0000 0.0000 34241.1110 -149195.6704 299.0361 -183436.7814 -149096.8287 299.3407 -192.0382 -158.0907 556532.8842 -6.6308 -6.7719 PRESSURE: 3275600 -130.046 -105.249 17.9952 -105.25 -77.958 -160.046 17.9941 -160.048 -411.288 GPRESSURE: 3275600 -141.782 -145.997 -62.2676 -116.209 -73.6137 -189.439 92.3639 -89.1067 -311.242 PRESSAVG: 3275600 14.8514 -34.7853 10.8551 -34.7853 31.9584 -40.1126 10.855 -40.1126 -3.14681 GPRESSAVG: 3275600 14.3535 -34.2273 11.9919 -34.8607 30.2381 -37.6671 10.7353 -40.6778 -1.13749 TIMING: 3275600 CPU: 9863.08, 0.00301132/step Wall: 9863.08, 0.00301132/step, 1.44242 hours remaining, 209.773438 MB of memory in use. ENERGY: 3275600 737.3102 2044.0467 1951.6491 115.8910 -205827.0409 17436.2066 0.0000 0.0000 34233.8580 -149308.0793 298.9728 -183541.9373 -149205.2848 299.4162 -206.4305 -175.5458 557953.3534 14.5543 14.4847 PRESSURE: 3275800 91.4022 -114.546 291.444 -114.546 271.033 15.5446 291.444 15.5438 98.6635 GPRESSURE: 3275800 115.443 -194.127 311.673 -85.8815 299.57 27.4255 302.723 -7.82639 156.384 PRESSAVG: 3275800 46.0235 18.3165 28.1123 18.3165 -81.8223 5.25469 28.1123 5.25477 31.4783 GPRESSAVG: 3275800 46.3653 17.0056 25.9514 19.2201 -81.3973 3.36849 30.1964 6.94649 31.0245 TIMING: 3275800 CPU: 9863.67, 0.00298174/step Wall: 9863.67, 0.00298174/step, 1.42809 hours remaining, 209.773438 MB of memory in use. ENERGY: 3275800 765.1391 2052.2921 1936.9619 111.1331 -206272.1795 18047.7681 0.0000 0.0000 34170.9302 -149187.9551 298.4232 -183358.8853 -149102.0147 298.6420 153.6997 190.4655 557955.3646 -1.4402 -1.3358 PRESSURE: 3276000 -112.319 71.9196 57.1321 71.9186 -81.1998 95.7275 57.1318 95.7278 -39.255 GPRESSURE: 3276000 -48.662 58.2854 -28.4011 50.5084 -12.3135 49.184 73.1369 44.6861 -77.2749 PRESSAVG: 3276000 -3.32586 -32.579 -11.406 -32.579 34.2398 8.06015 -11.406 8.06005 -14.9611 GPRESSAVG: 3276000 -2.4944 -30.8118 -11.3733 -32.6848 33.3049 7.66554 -11.348 6.03972 -14.8083 TIMING: 3276000 CPU: 9864.28, 0.00301584/step Wall: 9864.28, 0.00301584/step, 1.44425 hours remaining, 209.773438 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: 3276000 762.4177 2091.7374 1944.9072 125.3877 -206076.8937 17696.6665 0.0000 0.0000 34268.5022 -149187.2751 299.2754 -183455.7773 -149083.9798 299.1860 -77.5913 -46.0835 557415.6070 5.3176 5.3341 PRESSURE: 3276200 -204.752 25.9997 85.5292 26.0003 -65.587 -46.3843 85.5294 -46.3843 -279.252 GPRESSURE: 3276200 -161.93 65.7919 34.351 53.4651 -48.7439 -16.315 46.1064 -120.607 -238.571 PRESSAVG: 3276200 1.42767 30.1716 12.786 30.1717 1.04092 73.2861 12.7859 73.2861 -15.9073 GPRESSAVG: 3276200 1.50101 27.5065 12.6269 31.8945 2.63238 72.9711 10.0914 73.1093 -17.1124 TIMING: 3276200 CPU: 9864.88, 0.00299825/step Wall: 9864.88, 0.00299825/step, 1.43566 hours remaining, 209.773438 MB of memory in use. ENERGY: 3276200 699.4661 2092.6964 1959.9720 114.2870 -205743.5971 17476.3347 0.0000 0.0000 34326.0667 -149074.7743 299.7781 -183400.8410 -148985.2482 298.8179 -183.1970 -149.7480 557954.2038 -4.4796 -4.3263 LDB: ============= START OF LOAD BALANCING ============== 9868.39 LDB: ============== END OF LOAD BALANCING =============== 9868.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9868.39 LDB: ============= START OF LOAD BALANCING ============== 9868.69 LDB: Largest compute 4802 load 0.029157 is 24.7% of average load 0.118119 LDB: Average compute 0.001736 is 1.5% of average load 0.118119 LDB: TIME 9868.7 LOAD: AVG 0.118119 MAX 0.210388 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.508 MB LDB: TIME 9868.7 LOAD: AVG 0.118119 MAX 0.210388 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.508 MB LDB: TIME 9868.7 LOAD: AVG 0.118119 MAX 0.210388 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.508 MB LDB: ============== END OF LOAD BALANCING =============== 9868.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9868.7 PRESSURE: 3276400 23.8409 18.7049 -94.6289 18.705 13.051 -9.81186 -94.6289 -9.81134 141.239 GPRESSURE: 3276400 70.718 -77.4213 -172.498 86.1285 -18.0654 -28.6255 -120.33 61.5323 220.852 PRESSAVG: 3276400 -7.90361 12.9571 31.4594 12.9571 -15.5947 59.611 31.4595 59.611 -5.70882 GPRESSAVG: 3276400 -7.23873 12.3496 31.5585 11.7609 -17.6484 60.1815 33.905 58.7796 -4.29509 TIMING: 3276400 CPU: 9865.49, 0.00305057/step Wall: 9865.49, 0.00305057/step, 1.46054 hours remaining, 209.132812 MB of memory in use. ENERGY: 3276400 742.5310 2063.6909 1957.1138 129.5538 -206395.5326 17935.1209 0.0000 0.0000 34412.3328 -149155.1893 300.5315 -183567.5221 -149061.7177 299.1761 59.3769 91.1683 557856.5993 -9.7357 -9.7274 PRESSURE: 3276600 -61.6211 66.8417 -142.887 66.8422 -234.051 16.1558 -142.887 16.1564 -25.292 GPRESSURE: 3276600 -60.0133 -4.61025 -35.0268 115.463 -139.553 8.30797 -151.619 -3.20661 -24.8281 PRESSAVG: 3276600 -30.4114 -6.87457 4.5983 -6.87456 27.0154 14.8709 4.59826 14.871 5.88621 GPRESSAVG: 3276600 -30.7159 -4.7206 5.9426 -7.79102 28.0047 14.0268 3.2364 15.838 5.35048 TIMING: 3276600 CPU: 9866.08, 0.00299426/step Wall: 9866.08, 0.00299426/step, 1.43342 hours remaining, 209.335938 MB of memory in use. ENERGY: 3276600 767.3337 2091.8753 1974.4396 121.7939 -205994.2233 17801.9357 0.0000 0.0000 34155.3344 -149081.5108 298.2870 -183236.8452 -148996.6096 299.0808 -106.9881 -74.7981 558898.3371 0.8301 0.8798 PRESSURE: 3276800 65.7068 -87.1041 -27.1144 -87.1041 8.39332 -2.69154 -27.1141 -2.69096 -89.3372 GPRESSURE: 3276800 63.6618 -120.831 31.5979 -160.07 128.202 -48.0831 -43.6408 -40.9551 -120.816 PRESSAVG: 3276800 7.25179 22.9365 -25.8772 22.9365 -10.3269 -6.62594 -25.8772 -6.62575 -14.9563 GPRESSAVG: 3276800 6.75366 23.0816 -27.1395 23.2752 -9.60447 -6.42986 -24.7174 -6.89131 -15.9081 TIMING: 3276800 CPU: 9866.69, 0.003039/step Wall: 9866.69, 0.003039/step, 1.45467 hours remaining, 209.335938 MB of memory in use. ENERGY: 3276800 743.5508 2137.4793 1968.9712 116.1866 -206141.6393 17766.9795 0.0000 0.0000 34243.7883 -149164.6836 299.0595 -183408.4719 -149066.3359 299.3131 -5.0790 23.6826 558119.1332 -6.0105 -6.2530 PRESSURE: 3277000 -123.659 77.5558 -49.5276 77.5563 99.6101 -9.23119 -49.5273 -9.2296 6.73646 GPRESSURE: 3277000 -89.0127 -16.105 -79.7831 118.857 76.4029 -25.8996 -82.4756 33.9287 86.1955 PRESSAVG: 3277000 37.4519 -30.8068 -41.5701 -30.8069 -19.4752 5.77135 -41.5701 5.77131 -44.5644 GPRESSAVG: 3277000 36.358 -32.2828 -40.057 -30.0219 -19.1695 5.60754 -41.9491 7.25313 -44.0854 TIMING: 3277000 CPU: 9867.3, 0.00302895/step Wall: 9867.3, 0.00302895/step, 1.44969 hours remaining, 209.335938 MB of memory in use. ENERGY: 3277000 762.7002 2116.6049 1953.6347 113.1223 -206175.6023 17803.5489 0.0000 0.0000 34331.3851 -149094.6062 299.8245 -183425.9913 -148997.9393 299.5028 -5.7708 24.5286 556353.2596 -8.8626 -8.9656 PRESSURE: 3277200 14.0583 -44.8817 26.5353 -44.8815 -65.7203 -30.8688 26.534 -30.8697 -140.427 GPRESSURE: 3277200 28.6789 -44.4344 41.2517 35.6288 -11.2598 -28.7878 69.7641 4.86659 -95.8073 PRESSAVG: 3277200 19.4165 -11.2346 12.4101 -11.2346 -24.6518 -12.6423 12.4101 -12.6424 65.9801 GPRESSAVG: 3277200 19.0172 -9.11663 11.8003 -12.501 -25.7336 -13.098 12.3897 -12.8126 68.1587 TIMING: 3277200 CPU: 9867.9, 0.00299989/step Wall: 9867.9, 0.00299989/step, 1.43561 hours remaining, 209.335938 MB of memory in use. ENERGY: 3277200 735.0861 2102.3859 1974.1324 105.1258 -205859.5744 17575.2567 0.0000 0.0000 34153.5235 -149214.0640 298.2712 -183367.5875 -149113.3746 299.8408 -64.0298 -26.1294 556766.2605 20.2483 20.4808 PRESSURE: 3277400 24.3063 -15.5744 -29.922 -15.5746 88.2214 -101.784 -29.9227 -101.782 -65.8563 GPRESSURE: 3277400 -14.4685 35.547 -45.7462 -42.7012 122.484 -78.6683 3.49615 -153.899 30.0468 PRESSAVG: 3277400 -8.39436 -42.5663 -28.6722 -42.5664 17.703 -21.4469 -28.6722 -21.4469 -25.4218 GPRESSAVG: 3277400 -7.50331 -43.3435 -28.704 -42.0512 17.7248 -21.1928 -29.2178 -22.9324 -26.7513 TIMING: 3277400 CPU: 9868.5, 0.00298768/step Wall: 9868.5, 0.00298768/step, 1.42961 hours remaining, 209.335938 MB of memory in use. ENERGY: 3277400 737.9306 2108.5558 1956.4298 107.7356 -206739.5115 18097.0542 0.0000 0.0000 34403.2246 -149328.5809 300.4519 -183731.8055 -149230.6058 299.3840 15.5571 46.0209 556499.0452 -5.3710 -5.5099 PRESSURE: 3277600 98.2344 133.264 -24.0093 133.265 -140.288 -108.557 -24.0096 -108.557 36.2429 GPRESSURE: 3277600 97.3702 146.817 10.8824 127.257 -67.8795 -177.514 0.436575 -32.6336 60.3058 PRESSAVG: 3277600 41.6737 16.2041 79.2506 16.204 -10.3321 7.48222 79.2506 7.48238 -15.0933 GPRESSAVG: 3277600 41.4476 17.9212 77.9542 14.139 -9.89392 7.38012 79.2413 9.51095 -15.1523 TIMING: 3277600 CPU: 9869.1, 0.0030036/step Wall: 9869.1, 0.0030036/step, 1.43706 hours remaining, 209.335938 MB of memory in use. ENERGY: 3277600 724.4301 2131.4577 1915.8548 112.2091 -206413.7311 17932.7860 0.0000 0.0000 34358.4661 -149238.5273 300.0610 -183596.9934 -149137.1918 299.1233 -1.9368 29.9322 557759.1575 5.4161 5.4671 PRESSURE: 3277800 -59.68 -53.7188 -35.9129 -53.7182 -39.6529 -48.0553 -35.9143 -48.0551 64.7944 GPRESSURE: 3277800 -7.96854 -88.7657 -143.543 -33.8696 12.5503 -17.5329 32.3215 -66.7928 59.4728 PRESSAVG: 3277800 8.10454 -36.72 15.8751 -36.72 -60.1055 -46.4986 15.8751 -46.4986 35.1506 GPRESSAVG: 3277800 9.62089 -37.329 19.2585 -34.0893 -60.9295 -45.5587 14.7883 -47.0672 34.2653 TIMING: 3277800 CPU: 9869.69, 0.00296617/step Wall: 9869.69, 0.00296617/step, 1.41898 hours remaining, 209.335938 MB of memory in use. ENERGY: 3277800 714.5010 2129.4544 1942.9335 118.6298 -206212.9621 17749.8907 0.0000 0.0000 34282.6059 -149274.9468 299.3985 -183557.5527 -149178.8917 299.8424 -11.5128 21.3515 556046.7202 -5.6168 -5.6811 PRESSURE: 3278000 101.05 -252.309 -53.3149 -252.309 -328.216 41.8659 -53.3148 41.8666 185.441 GPRESSURE: 3278000 155.314 -160.909 -7.24673 -270.482 -282.12 -22.8317 -24.5695 104.01 174.08 PRESSAVG: 3278000 13.3696 16.4302 -16.1865 16.4301 -13.2173 -72.1943 -16.1865 -72.1943 54.6127 GPRESSAVG: 3278000 12.9831 16.7335 -16.6762 15.7882 -12.3684 -72.9789 -16.4948 -71.3909 54.7092 TIMING: 3278000 CPU: 9870.28, 0.00297786/step Wall: 9870.28, 0.00297786/step, 1.42441 hours remaining, 209.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3278000 734.8477 2141.4002 1971.9757 115.2021 -206228.9583 17728.5398 0.0000 0.0000 34328.8797 -149208.1133 299.8026 -183536.9929 -149111.1917 299.4851 -13.9081 15.7582 557765.1474 18.2550 18.4413 PRESSURE: 3278200 9.83742 43.0102 -109.801 43.0101 -278.66 -137.247 -109.803 -137.247 -175.437 GPRESSURE: 3278200 5.04928 110.237 -77.9107 63.4814 -199.232 -82.2132 -158.483 -153.643 -167.72 PRESSAVG: 3278200 10.3589 -1.0358 24.628 -1.03587 -67.6893 -22.8159 24.628 -22.8159 10.1928 GPRESSAVG: 3278200 9.84639 -3.82339 23.8748 0.781287 -67.7897 -19.5887 24.2384 -25.193 10.5501 TIMING: 3278200 CPU: 9870.88, 0.00298987/step Wall: 9870.88, 0.00298987/step, 1.42999 hours remaining, 209.335938 MB of memory in use. ENERGY: 3278200 741.7475 2114.4436 1917.4548 106.8139 -205968.2157 17630.2582 0.0000 0.0000 34305.3712 -149152.1264 299.5973 -183457.4976 -149060.3477 298.9026 -148.0866 -120.6343 557519.4855 -15.7126 -15.7977 PRESSURE: 3278400 -0.409031 107.531 104.799 107.532 -206.156 81.1968 104.799 81.1956 59.5614 GPRESSURE: 3278400 -16.9118 53.1468 22.5455 18.5037 -157.562 38.9081 122.947 -1.50197 124.317 PRESSAVG: 3278400 41.6766 -19.5962 -7.57566 -19.5962 -36.9283 -19.2011 -7.57561 -19.2012 29.9275 GPRESSAVG: 3278400 41.7009 -18.2225 -7.24056 -20.5896 -36.9495 -21.3853 -5.29912 -18.9414 30.3905 TIMING: 3278400 CPU: 9871.48, 0.00299861/step Wall: 9871.48, 0.00299861/step, 1.434 hours remaining, 209.406250 MB of memory in use. ENERGY: 3278400 738.6023 2124.4311 1924.3727 111.5761 -206234.2516 17737.9936 0.0000 0.0000 34374.3169 -149222.9588 300.1995 -183597.2757 -149129.2072 299.7972 -49.0012 -16.7189 556336.2413 11.5586 11.7139 PRESSURE: 3278600 31.87 -109.341 -123.067 -109.342 -257.839 -123.003 -123.067 -123.002 -178.173 GPRESSURE: 3278600 60.2216 -98.5982 -74.1463 -159.536 -250.07 -103.298 -61.5272 -169.241 -115.898 PRESSAVG: 3278600 20.7267 -24.1526 16.4312 -24.1526 -70.9588 -39.0064 16.4312 -39.0063 35.1876 GPRESSAVG: 3278600 20.8142 -22.0081 15.1429 -24.5989 -70.3351 -40.1976 14.7367 -36.2132 33.9095 TIMING: 3278600 CPU: 9872.08, 0.00298977/step Wall: 9872.08, 0.00298977/step, 1.42961 hours remaining, 209.406250 MB of memory in use. ENERGY: 3278600 790.1183 2128.1462 1946.4385 108.3425 -206094.1009 17602.3400 0.0000 0.0000 34292.9769 -149225.7385 299.4891 -183518.7154 -149130.4397 299.5873 -134.7140 -101.9152 556772.7527 -5.0148 -5.2038 PRESSURE: 3278800 -233.39 79.1769 -5.16732 79.1757 -170.962 110.607 -5.16676 110.606 -99.0373 GPRESSURE: 3278800 -132.126 121.911 -1.47635 87.751 -211.499 104.136 -24.1316 20.4471 -72.3346 PRESSAVG: 3278800 40.3818 -16.5749 -6.057 -16.5749 -55.2732 -22.4506 -6.05706 -22.4508 61.4968 GPRESSAVG: 3278800 40.45 -19.1422 -6.4587 -14.977 -56.4425 -19.6146 -5.86208 -24.9526 62.2778 TIMING: 3278800 CPU: 9872.69, 0.00303059/step Wall: 9872.69, 0.00303059/step, 1.44896 hours remaining, 209.406250 MB of memory in use. ENERGY: 3278800 801.7271 2132.5798 1927.3772 102.9765 -206154.9365 17698.1876 0.0000 0.0000 34349.9802 -149142.1081 299.9869 -183492.0883 -149040.7387 300.2677 -167.7964 -138.6534 558231.2399 15.5351 15.4284 PRESSURE: 3279000 299.858 -79.8836 145.911 -79.8847 206.172 -32.4844 145.913 -32.4845 324.855 GPRESSURE: 3279000 369.828 -50.0238 95.7626 -112.361 232.177 -6.38414 186.981 -48.3964 330.258 PRESSAVG: 3279000 -4.04268 -9.43576 -15.0554 -9.43586 -52.6306 -41.298 -15.0554 -41.298 74.3659 GPRESSAVG: 3279000 -4.84175 -9.8997 -14.4886 -11.7545 -50.74 -41.0022 -15.1641 -42.2873 73.5626 TIMING: 3279000 CPU: 9873.28, 0.00298632/step Wall: 9873.28, 0.00298633/step, 1.42763 hours remaining, 209.406250 MB of memory in use. ENERGY: 3279000 729.0403 2095.8232 1954.1758 121.2125 -206918.7875 18201.3688 0.0000 0.0000 34418.0117 -149399.1553 300.5811 -183817.1669 -149300.7799 299.9699 276.9614 310.7543 556229.5247 5.8975 5.9936 PRESSURE: 3279200 328.184 50.7146 89.9924 50.7154 -79.1213 -259.336 89.9931 -259.336 111.512 GPRESSURE: 3279200 341.973 -69.826 85.3595 106.152 -78.2129 -306.978 -1.88424 -205.152 198.441 PRESSAVG: 3279200 -30.2609 -42.5954 9.30086 -42.5954 -0.600191 36.6855 9.30085 36.6855 45.1603 GPRESSAVG: 3279200 -29.3699 -41.2429 9.34774 -42.3575 -1.38688 35.9811 11.1632 39.6774 45.3821 TIMING: 3279200 CPU: 9873.88, 0.00298605/step Wall: 9873.88, 0.00298605/step, 1.42733 hours remaining, 209.406250 MB of memory in use. ENERGY: 3279200 729.6414 2058.8286 1947.8290 111.3048 -206446.1708 17981.3469 0.0000 0.0000 34333.7208 -149283.4993 299.8449 -183617.2202 -149182.8021 299.1779 120.1915 154.0672 557736.2084 4.7664 4.8751 PRESSURE: 3279400 -182.636 37.1584 -42.8128 37.1579 -155.641 -22.9034 -42.8133 -22.9029 -141.825 GPRESSURE: 3279400 -143.172 107.343 -12.9492 75.5669 -132.949 -6.66965 -96.4936 79.9129 -103.125 PRESSAVG: 3279400 -48.0916 -10.9757 14.1608 -10.9756 -54.7138 51.4269 14.1608 51.4268 89.4913 GPRESSAVG: 3279400 -48.8232 -12.5389 14.2463 -10.1258 -54.643 50.3637 13.2801 51.1909 90.6236 TIMING: 3279400 CPU: 9874.48, 0.00297374/step Wall: 9874.48, 0.00297374/step, 1.42128 hours remaining, 209.406250 MB of memory in use. ENERGY: 3279400 721.1369 2083.7986 1942.6766 115.5525 -205579.7094 17367.2930 0.0000 0.0000 34084.7101 -149264.5417 297.6703 -183349.2518 -149167.1677 299.1984 -160.0339 -126.4152 558172.1148 -4.4380 -4.2809 PRESSURE: 3279600 -135.831 -38.1127 55.7858 -38.1135 -153.359 96.9026 55.7862 96.9014 -126.615 GPRESSURE: 3279600 -84.4228 29.2859 30.2945 -75.3813 -148.835 107.045 60.6879 20.9373 -85.2834 PRESSAVG: 3279600 0.45077 -10.9925 7.53135 -10.9924 -42.1158 17.7492 7.53133 17.7491 48.1545 GPRESSAVG: 3279600 1.13974 -9.57096 5.96293 -11.7927 -43.3762 18.236 9.02071 16.9327 48.8163 TIMING: 3279600 CPU: 9875.07, 0.00298526/step Wall: 9875.07, 0.00298526/step, 1.42662 hours remaining, 209.406250 MB of memory in use. ENERGY: 3279600 757.7807 2133.5791 1952.0038 109.5302 -205951.8554 17684.7841 0.0000 0.0000 34238.6337 -149075.5438 299.0145 -183314.1774 -148989.3434 299.1397 -138.6017 -106.1803 557807.4498 2.1632 2.1933 PRESSURE: 3279800 -150.153 -15.126 -64.2816 -15.1269 -2.46413 64.4529 -64.2821 64.4512 -79.7605 GPRESSURE: 3279800 -190.793 -18.5214 -150.037 -90.291 100.678 29.9581 -21.0151 37.6827 -39.1994 PRESSAVG: 3279800 -23.497 -53.8662 42.157 -53.8662 -8.67702 9.61094 42.157 9.61096 -10.1136 GPRESSAVG: 3279800 -23.4705 -53.5857 43.6013 -53.0515 -7.66091 10.7016 42.1286 9.84301 -11.486 TIMING: 3279800 CPU: 9875.67, 0.00297722/step Wall: 9875.67, 0.00297722/step, 1.42261 hours remaining, 209.406250 MB of memory in use. ENERGY: 3279800 706.4181 2149.2885 1945.3907 114.3390 -205512.6313 17448.2491 0.0000 0.0000 34195.5351 -148953.4109 298.6381 -183148.9460 -148853.8841 299.6853 -77.4592 -43.1047 557871.4895 -14.0959 -14.2058 PRESSURE: 3280000 -121.404 225.316 158.008 225.318 -259.052 -57.5721 158.008 -57.5722 8.61592 GPRESSURE: 3280000 -94.8656 342.446 113.903 204.519 -224.123 -18.8203 141.91 29.0739 47.4263 PRESSAVG: 3280000 21.0886 -30.1537 8.88195 -30.1537 -33.7562 34.7424 8.88195 34.7425 -4.84456 GPRESSAVG: 3280000 20.7684 -30.6323 9.49145 -31.4593 -33.3931 33.8974 10.4136 36.1914 -4.82376 TIMING: 3280000 CPU: 9876.26, 0.00297305/step Wall: 9876.26, 0.00297305/step, 1.42046 hours remaining, 209.406250 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: 3280000 765.8321 2116.4135 1936.8918 118.9372 -206089.6973 17577.0008 0.0000 0.0000 34433.7431 -149140.8786 300.7184 -183574.6218 -149042.4395 299.1246 -123.9467 -90.5207 557913.0809 -5.8374 -5.8162 PRESSURE: 3280200 -42.2724 -65.3585 -87.2696 -65.3591 151.149 -45.9673 -87.2699 -45.9653 31.7724 GPRESSURE: 3280200 5.8654 50.5859 -133.496 -123.809 204.34 66.1209 -28.5464 -112.971 23.5433 PRESSAVG: 3280200 -2.78994 -33.9584 -41.8791 -33.9585 -34.7436 40.8855 -41.8792 40.8855 12.4777 GPRESSAVG: 3280200 -2.04645 -34.6336 -41.5795 -32.5259 -35.7926 41.7058 -45.8638 38.6974 12.8768 TIMING: 3280200 CPU: 9876.86, 0.00296252/step Wall: 9876.86, 0.00296252/step, 1.41526 hours remaining, 209.406250 MB of memory in use. ENERGY: 3280200 752.3018 2093.8670 1914.4642 113.4882 -206154.9060 17897.4214 0.0000 0.0000 34327.5592 -149055.8042 299.7911 -183383.3634 -148954.0297 299.9316 46.8829 77.9161 557674.6737 -8.3520 -8.3207 LDB: ============= START OF LOAD BALANCING ============== 9880.37 LDB: ============== END OF LOAD BALANCING =============== 9880.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9880.37 LDB: ============= START OF LOAD BALANCING ============== 9880.67 LDB: Largest compute 4802 load 0.030454 is 25.8% of average load 0.118098 LDB: Average compute 0.001722 is 1.5% of average load 0.118098 LDB: TIME 9880.67 LOAD: AVG 0.118098 MAX 0.209523 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.387 MB LDB: TIME 9880.68 LOAD: AVG 0.118098 MAX 0.209523 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.59 MB LDB: TIME 9880.68 LOAD: AVG 0.118098 MAX 0.209523 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.59 MB LDB: ============== END OF LOAD BALANCING =============== 9880.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9880.68 PRESSURE: 3280400 -127.034 59.799 -36.1657 59.799 63.7883 -86.8469 -36.1651 -86.8472 92.9206 GPRESSURE: 3280400 -98.9182 -14.3102 33.7487 46.7316 63.852 -74.7097 -55.9475 -34.7998 158.06 PRESSAVG: 3280400 -75.4564 -44.1793 27.3443 -44.1795 39.2344 35.4372 27.3442 35.4371 26.8589 GPRESSAVG: 3280400 -76.3166 -44.4285 26.7754 -42.5311 39.2451 34.8872 28.5476 36.7816 27.6023 TIMING: 3280400 CPU: 9877.46, 0.00304708/step Wall: 9877.46, 0.00304708/step, 1.45549 hours remaining, 210.085938 MB of memory in use. ENERGY: 3280400 713.4763 2111.8615 1987.2347 112.0317 -206085.3635 17795.1706 0.0000 0.0000 34217.1295 -149148.4592 298.8267 -183365.5887 -149053.9370 300.1190 9.8917 40.9978 557547.4448 -3.1210 -3.1564 PRESSURE: 3280600 -161.654 18.7162 161.596 18.7155 -178.49 145.868 161.597 145.868 -253.314 GPRESSURE: 3280600 -74.0186 1.68632 168.462 -12.4378 -211.623 201.514 52.9258 83.7551 -212.203 PRESSAVG: 3280600 16.4254 -43.439 8.42325 -43.4389 0.0498891 30.9195 8.42329 30.9193 23.8233 GPRESSAVG: 3280600 17.2023 -41.9219 7.52116 -44.1039 -0.151863 31.5203 9.2863 29.6785 23.4439 TIMING: 3280600 CPU: 9878.07, 0.00303113/step Wall: 9878.07, 0.00303113/step, 1.4477 hours remaining, 210.289062 MB of memory in use. ENERGY: 3280600 723.8251 2062.9553 1920.0098 110.7022 -206169.6357 17870.1386 0.0000 0.0000 34218.7277 -149263.2770 298.8407 -183482.0046 -149167.9145 299.1734 -197.8194 -165.9480 560908.8650 13.4329 13.4981 PRESSURE: 3280800 267.74 -222.676 148.594 -222.675 170.435 71.6408 148.593 71.6392 -7.81548 GPRESSURE: 3280800 298.709 -161.127 167.536 -230.227 211.397 32.2401 149.061 93.6486 17.0803 PRESSAVG: 3280800 31.9882 -59.7465 29.8997 -59.7464 -28.7476 25.4351 29.8997 25.4351 -9.05763 GPRESSAVG: 3280800 32.9549 -61.024 32.8217 -59.969 -28.4421 24.2847 28.6666 27.0601 -9.91764 TIMING: 3280800 CPU: 9878.67, 0.00300842/step Wall: 9878.67, 0.00300842/step, 1.43669 hours remaining, 210.367188 MB of memory in use. ENERGY: 3280800 728.1992 2147.3761 1926.2683 111.6188 -206617.4244 18161.3207 0.0000 0.0000 34231.9427 -149310.6986 298.9561 -183542.6413 -149216.0587 299.1892 143.4534 175.7288 557473.8596 -1.9390 -1.8016 PRESSURE: 3281000 -102.697 -149.124 39.9663 -149.125 -193.266 51.89 39.9655 51.8898 -26.5544 GPRESSURE: 3281000 -69.7212 -88.176 121.602 -200.983 -198.844 97.3329 -63.1237 80.4298 28.6438 PRESSAVG: 3281000 48.9748 -41.9792 -23.2182 -41.9792 -72.4068 76.8087 -23.2181 76.8087 8.63091 GPRESSAVG: 3281000 48.3402 -41.0234 -25.005 -42.3699 -71.5147 75.316 -21.6547 77.2406 8.22467 TIMING: 3281000 CPU: 9879.27, 0.00298289/step Wall: 9879.27, 0.00298289/step, 1.42433 hours remaining, 210.367188 MB of memory in use. ENERGY: 3281000 735.9902 2093.7384 1938.1486 101.0201 -206470.7983 17873.0457 0.0000 0.0000 34136.9147 -149591.9406 298.1262 -183728.8553 -149495.0464 298.3385 -107.5059 -79.9739 557761.7391 -4.9337 -4.9833 PRESSURE: 3281200 -167.814 -256.367 -30.9737 -256.368 -110.364 -69.9856 -30.9731 -69.9856 -29.1791 GPRESSURE: 3281200 -148.843 -195.093 2.94548 -350.269 -83.6165 -61.961 -140.766 -16.9142 18.0128 PRESSAVG: 3281200 -2.17537 -30.627 -8.33038 -30.627 21.7355 20.7454 -8.33028 20.7454 19.1961 GPRESSAVG: 3281200 -2.35136 -31.3752 -8.6326 -31.7167 20.9484 22.9106 -9.37156 19.0435 20.2689 TIMING: 3281200 CPU: 9879.87, 0.00302131/step Wall: 9879.87, 0.00302131/step, 1.44251 hours remaining, 210.367188 MB of memory in use. ENERGY: 3281200 747.4458 2052.0414 1891.2283 105.6518 -206382.0995 17902.2827 0.0000 0.0000 34095.7936 -149587.6559 297.7670 -183683.4495 -149488.2983 297.8975 -102.4523 -71.4823 557992.2453 12.9187 12.9553 PRESSURE: 3281400 -34.6654 -5.17089 -81.3941 -5.16963 164.237 34.3964 -81.3928 34.395 -141.09 GPRESSURE: 3281400 -6.43418 -30.2019 -65.6714 15.2004 240.302 -46.232 -16.2042 70.1671 -145.279 PRESSAVG: 3281400 47.3702 -24.2074 -2.08712 -24.2075 5.75989 17.4668 -2.08709 17.467 -15.7849 GPRESSAVG: 3281400 47.7785 -23.924 -1.83226 -22.6559 5.75353 15.1849 0.45827 18.4955 -16.0334 TIMING: 3281400 CPU: 9880.47, 0.00300349/step Wall: 9880.47, 0.00300349/step, 1.43383 hours remaining, 210.367188 MB of memory in use. ENERGY: 3281400 743.6513 2075.0878 1922.4218 112.7395 -206606.8172 18024.1430 0.0000 0.0000 34126.6842 -149602.0897 298.0368 -183728.7739 -149498.7300 298.4359 -3.8394 29.5297 557635.2698 12.4484 12.4996 PRESSURE: 3281600 145.954 71.1002 45.033 71.0976 102.516 22.1654 45.0325 22.1655 217.063 GPRESSURE: 3281600 191.544 86.9114 4.19768 42.0955 121.136 -103.653 -17.8019 81.6612 234.753 PRESSAVG: 3281600 44.9336 39.9484 49.6246 39.9485 -4.54987 21.3606 49.6245 21.3606 -38.5224 GPRESSAVG: 3281600 44.4064 39.5106 49.5223 40.0515 -3.58716 22.3196 49.2706 21.051 -38.5725 TIMING: 3281600 CPU: 9881.07, 0.00299621/step Wall: 9881.07, 0.00299621/step, 1.43019 hours remaining, 210.367188 MB of memory in use. ENERGY: 3281600 749.8610 2097.6038 1953.6693 111.2875 -206464.8824 18090.9083 0.0000 0.0000 34036.7230 -149424.8297 297.2512 -183461.5527 -149327.7437 298.8657 155.1778 182.4779 557346.5637 0.6204 0.7489 PRESSURE: 3281800 -34.6166 -118.245 -65.3825 -118.246 -147.747 118.089 -65.3815 118.088 -124.018 GPRESSURE: 3281800 -30.6912 -200.122 -50.2033 -161.111 -126.818 87.7215 -141.959 163.961 -49.2923 PRESSAVG: 3281800 47.5331 6.47909 19.7084 6.47913 -13.686 -6.09856 19.7083 -6.09868 -20.3656 GPRESSAVG: 3281800 47.2088 6.20411 18.8261 7.12555 -14.0169 -6.88443 18.738 -5.50789 -19.9608 TIMING: 3281800 CPU: 9881.67, 0.00296678/step Wall: 9881.67, 0.00296678/step, 1.41598 hours remaining, 210.367188 MB of memory in use. ENERGY: 3281800 742.5044 2081.7118 1950.7056 102.1330 -206353.6790 17628.2521 0.0000 0.0000 34335.9818 -149512.3904 299.8647 -183848.3722 -149421.2531 298.8458 -102.1272 -68.9338 556713.2346 4.4938 4.4104 PRESSURE: 3282000 226.731 90.2985 5.07098 90.2983 160.651 75.478 5.06988 75.4762 -114.581 GPRESSURE: 3282000 222.078 35.5616 117.217 60.7941 171.762 77.0384 -28.783 107.615 -27.3939 PRESSAVG: 3282000 42.9178 35.8664 0.940547 35.8664 11.1896 -37.3217 0.940704 -37.3217 -33.7503 GPRESSAVG: 3282000 43.7446 36.5849 1.80463 34.3726 10.584 -36.577 0.1015 -38.026 -33.9364 TIMING: 3282000 CPU: 9882.26, 0.00297168/step Wall: 9882.26, 0.00297168/step, 1.41815 hours remaining, 210.570312 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: 3282000 740.0755 2065.8136 1941.1586 109.5022 -206496.0642 18079.7384 0.0000 0.0000 34169.1386 -149390.6373 298.4076 -183559.7759 -149287.4857 299.4069 90.9335 122.1485 557691.7782 6.7857 6.7974 PRESSURE: 3282200 -66.1808 104.691 -94.8246 104.69 5.69867 -210.964 -94.8244 -210.965 71.5915 GPRESSURE: 3282200 -32.93 30.1996 -41.0171 183.386 17.2898 -162.555 -15.6556 -80.5417 136.76 PRESSAVG: 3282200 26.192 19.8387 14.8662 19.8388 -3.61694 21.2687 14.8663 21.2687 -28.692 GPRESSAVG: 3282200 26.6332 19.3652 14.4887 20.3891 -3.34218 19.7706 16.9847 22.9684 -29.8451 TIMING: 3282200 CPU: 9882.86, 0.00298236/step Wall: 9882.86, 0.00298236/step, 1.42308 hours remaining, 210.570312 MB of memory in use. ENERGY: 3282200 747.9027 2068.3279 1958.8276 113.4164 -206111.3098 17874.9531 0.0000 0.0000 34331.0981 -149016.7841 299.8220 -183347.8822 -148919.3524 299.8323 3.7031 40.3733 558620.6118 -2.0390 -2.1847 PRESSURE: 3282400 111.264 -175.437 9.47372 -175.436 170.33 -37.9268 9.47266 -37.9271 34.2076 GPRESSURE: 3282400 85.5673 -117.998 -12.9672 -171.241 235.866 60.1648 23.0947 -90.0826 78.1201 PRESSAVG: 3282400 -3.69629 36.5161 31.6018 36.516 3.85896 5.53739 31.6017 5.53745 21.2865 GPRESSAVG: 3282400 -4.98137 36.8979 32.4274 37.2724 4.17753 7.01177 30.6672 3.29698 22.0942 TIMING: 3282400 CPU: 9883.46, 0.00299439/step Wall: 9883.46, 0.00299439/step, 1.42866 hours remaining, 210.570312 MB of memory in use. ENERGY: 3282400 726.2144 2049.4616 1936.0767 127.2304 -206166.7944 17934.5353 0.0000 0.0000 34251.7428 -149141.5332 299.1290 -183393.2760 -149045.4517 299.5393 105.2672 133.1846 558803.1437 7.1497 7.0968 PRESSURE: 3282600 168.248 -87.7654 115.743 -87.7645 -231.251 34.9028 115.742 34.9049 -93.0617 GPRESSURE: 3282600 155.164 -91.5728 104.54 -64.6539 -160.815 89.1093 70.4364 -21.8337 -50.5272 PRESSAVG: 3282600 -19.8108 -36.7753 -16.3795 -36.7753 57.2885 13.4571 -16.3794 13.4572 -34.5343 GPRESSAVG: 3282600 -18.2871 -36.88 -16.6532 -37.6463 56.4038 12.9592 -16.9503 14.1929 -34.8542 TIMING: 3282600 CPU: 9884.06, 0.00300124/step Wall: 9884.06, 0.00300124/step, 1.43176 hours remaining, 210.570312 MB of memory in use. ENERGY: 3282600 758.5518 2117.5541 1941.2689 109.4450 -206292.0188 17915.9810 0.0000 0.0000 34367.3285 -149081.8893 300.1384 -183449.2179 -148984.1821 299.6094 -52.0215 -18.7261 557801.4894 0.9811 1.0875 PRESSURE: 3282800 -83.8112 31.2387 -33.7042 31.2396 -138.055 -26.4455 -33.7036 -26.4448 -36.5498 GPRESSURE: 3282800 -126.721 112.209 28.1189 2.43015 -78.2872 -6.872 -41.9939 -41.2178 42.0673 PRESSAVG: 3282800 39.0048 -33.3658 8.76839 -33.3658 -3.22629 -9.56281 8.76832 -9.56287 -20.2501 GPRESSAVG: 3282800 38.3221 -31.5554 7.90065 -32.6287 -3.2538 -9.28502 7.92589 -8.97105 -19.4857 TIMING: 3282800 CPU: 9884.66, 0.00300534/step Wall: 9884.66, 0.00300534/step, 1.43355 hours remaining, 210.570312 MB of memory in use. ENERGY: 3282800 762.8266 2068.0528 1960.0085 115.2122 -206138.3783 17726.3918 0.0000 0.0000 34228.5654 -149277.3209 298.9266 -183505.8864 -149176.8728 299.1801 -86.1386 -54.3136 558431.2860 5.1761 5.1942 PRESSURE: 3283000 130.378 -39.5861 -22.5201 -39.586 87.7685 178.402 -22.5195 178.403 61.2793 GPRESSURE: 3283000 168.852 -51.194 31.03 9.63366 90.4827 133.83 -66.7554 154.578 112.249 PRESSAVG: 3283000 15.6932 12.0855 -11.6774 12.0856 0.0585489 -3.42029 -11.6773 -3.42018 -3.12972 GPRESSAVG: 3283000 15.4107 10.3994 -10.7753 12.2193 -0.192982 -4.20123 -11.2395 -4.16602 -2.6156 TIMING: 3283000 CPU: 9885.26, 0.00300919/step Wall: 9885.26, 0.00300919/step, 1.43521 hours remaining, 210.570312 MB of memory in use. ENERGY: 3283000 725.3374 2070.7920 1921.4074 120.2623 -206035.8374 17887.7272 0.0000 0.0000 33824.7310 -149485.5802 295.3998 -183310.3112 -149392.1359 299.1657 93.1419 123.8612 557823.2341 4.2073 4.2007 PRESSURE: 3283200 -45.6583 -53.0965 -67.9395 -53.0966 -179.293 42.1523 -67.939 42.1517 122.248 GPRESSURE: 3283200 31.3769 -58.6681 -46.6768 -57.6622 -137.493 80.4259 -57.6995 53.9284 100.432 PRESSAVG: 3283200 55.0571 -20.8103 -1.17184 -20.8103 -15.1947 -2.40418 -1.17175 -2.40416 -28.2066 GPRESSAVG: 3283200 55.2783 -23.3524 -0.192698 -19.4629 -15.0604 -4.11315 -0.160916 -3.15189 -28.563 TIMING: 3283200 CPU: 9885.86, 0.00301192/step Wall: 9885.86, 0.00301192/step, 1.43635 hours remaining, 210.570312 MB of memory in use. ENERGY: 3283200 740.3103 2104.3213 1916.5487 118.9678 -206281.7318 17955.8020 0.0000 0.0000 33911.8598 -149533.9218 296.1607 -183445.7816 -149442.4447 298.3333 -34.2342 -1.8944 558548.2200 3.8853 3.8850 PRESSURE: 3283400 -308.139 58.0795 103.32 58.0806 183.155 112.805 103.322 112.804 13.9332 GPRESSURE: 3283400 -269.076 -48.1372 148.651 78.6132 216.451 233.032 72.5589 -24.7257 29.5992 PRESSAVG: 3283400 34.5422 30.2305 7.54119 30.2305 -35.671 9.41999 7.54116 9.41998 -44.4441 GPRESSAVG: 3283400 35.6019 33.7025 5.73551 28.7985 -35.6579 11.4876 5.23857 10.2383 -45.229 TIMING: 3283400 CPU: 9886.46, 0.00298992/step Wall: 9886.46, 0.00298992/step, 1.42569 hours remaining, 210.570312 MB of memory in use. ENERGY: 3283400 731.5292 2053.6455 1904.7266 106.2807 -205924.6816 17623.2833 0.0000 0.0000 34140.8662 -149364.3499 298.1607 -183505.2162 -149270.3035 297.5380 -37.0169 -7.6752 557487.5390 -15.1910 -15.0950 PRESSURE: 3283600 -183.058 -110.411 49.8101 -110.409 -21.5752 62.5055 49.8112 62.5058 29.0356 GPRESSURE: 3283600 -170.544 -28.9635 3.6466 -124.133 -9.23031 77.8784 110.093 131.459 81.9113 PRESSAVG: 3283600 15.8718 -21.4418 -31.9994 -21.4418 -12.4821 58.4944 -31.9993 58.4942 20.1712 GPRESSAVG: 3283600 14.9318 -20.9892 -30.7844 -21.1627 -11.0531 58.7389 -32.7315 58.0725 20.4573 TIMING: 3283600 CPU: 9887.06, 0.00298542/step Wall: 9887.06, 0.00298542/step, 1.42338 hours remaining, 210.570312 MB of memory in use. ENERGY: 3283600 753.1365 2048.8135 1917.4033 116.0722 -206293.1091 17791.9218 0.0000 0.0000 34216.4241 -149449.3377 298.8205 -183665.7618 -149353.2543 297.8458 -58.5326 -32.6209 556902.9222 7.8536 8.1120 PRESSURE: 3283800 -74.2024 129.719 -128.504 129.719 -115.138 -115.673 -128.504 -115.671 -279.674 GPRESSURE: 3283800 -134.052 150.001 -190.501 74.5668 -48.3493 -141.482 -85.278 -128.248 -183.741 PRESSAVG: 3283800 24.416 7.19264 -37.2314 7.19265 23.7138 30.8997 -37.2314 30.8998 -35.204 GPRESSAVG: 3283800 24.0644 5.93904 -36.8623 5.91211 22.6998 30.7581 -35.7053 31.8814 -33.2647 TIMING: 3283800 CPU: 9887.66, 0.00301235/step Wall: 9887.66, 0.00301235/step, 1.43606 hours remaining, 210.570312 MB of memory in use. ENERGY: 3283800 726.4167 2076.3331 1937.9292 119.5129 -206226.5435 17616.9293 0.0000 0.0000 34463.3890 -149286.0332 300.9773 -183749.4222 -149187.1092 299.4233 -156.3380 -122.0475 557484.7569 4.3086 4.4998 PRESSURE: 3284000 -180.641 68.5374 172.913 68.5382 -138.663 131.006 172.914 131.007 -12.3239 GPRESSURE: 3284000 -164.13 67.6815 188.676 46.1682 -51.671 133.195 63.9146 163.821 -8.97847 PRESSAVG: 3284000 43.4902 39.6997 23.1639 39.6996 1.01854 37.1039 23.164 37.1038 -9.37294 GPRESSAVG: 3284000 44.493 40.9766 21.8953 40.9046 1.78841 37.1291 23.1257 37.592 -11.404 TIMING: 3284000 CPU: 9888.26, 0.00299724/step Wall: 9888.26, 0.00299724/step, 1.42868 hours remaining, 210.570312 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: 3284000 775.9414 2094.6705 1944.8319 109.5936 -206046.2050 17641.7868 0.0000 0.0000 34199.5395 -149279.8414 298.6731 -183479.3808 -149182.0401 299.3586 -110.5428 -74.9266 557269.9665 11.7119 11.6258 PRESSURE: 3284200 106.972 54.473 55.0635 54.4718 363.196 269.328 55.0625 269.329 151.695 GPRESSURE: 3284200 177.335 90.5459 97.615 26.8981 373.508 259.53 107.469 228.264 165.905 PRESSAVG: 3284200 8.56224 6.18273 9.06344 6.18277 -20.3586 56.8013 9.06344 56.8011 -45.0391 GPRESSAVG: 3284200 8.52661 5.54756 9.5449 6.0774 -20.9021 58.1446 9.42925 54.3868 -44.3113 TIMING: 3284200 CPU: 9888.86, 0.00299341/step Wall: 9888.86, 0.00299341/step, 1.42669 hours remaining, 210.570312 MB of memory in use. ENERGY: 3284200 756.4533 2022.1262 1959.5544 117.7872 -206696.2413 18040.7613 0.0000 0.0000 34294.5274 -149505.0314 299.5026 -183799.5588 -149401.9062 298.7765 207.2876 238.9162 555621.7516 -18.9452 -18.8956 LDB: ============= START OF LOAD BALANCING ============== 9892.37 LDB: ============== END OF LOAD BALANCING =============== 9892.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9892.38 LDB: ============= START OF LOAD BALANCING ============== 9892.67 LDB: Largest compute 4802 load 0.029163 is 24.7% of average load 0.118214 LDB: Average compute 0.001726 is 1.5% of average load 0.118214 LDB: TIME 9892.68 LOAD: AVG 0.118214 MAX 0.207964 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.918 MB LDB: TIME 9892.68 LOAD: AVG 0.118214 MAX 0.207964 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.121 MB LDB: TIME 9892.68 LOAD: AVG 0.118214 MAX 0.207964 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.121 MB LDB: ============== END OF LOAD BALANCING =============== 9892.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9892.68 PRESSURE: 3284400 68.0728 -23.9963 -241.304 -23.9972 -21.4145 -94.5266 -241.305 -94.5266 -49.5962 GPRESSURE: 3284400 36.6899 -33.393 -322.12 11.2642 32.9234 -154.75 -177.268 -66.3502 25.2348 PRESSAVG: 3284400 -55.7776 5.79811 -52.7371 5.79809 36.1486 39.5142 -52.7372 39.5141 -11.4047 GPRESSAVG: 3284400 -55.1273 7.15394 -52.3277 6.41261 34.9928 38.0786 -53.437 39.9502 -10.8294 TIMING: 3284400 CPU: 9889.47, 0.0030453/step Wall: 9889.47, 0.0030453/step, 1.45125 hours remaining, 209.640625 MB of memory in use. ENERGY: 3284400 770.3073 2106.3652 1909.4046 118.4373 -206178.7749 17865.4138 0.0000 0.0000 34049.0929 -149359.7539 297.3592 -183408.8468 -149264.9551 298.2757 -0.9793 31.6160 557727.0699 -10.3445 -10.3213 PRESSURE: 3284600 26.1345 -154.973 58.3677 -154.973 199.047 143.897 58.3678 143.896 -155.652 GPRESSURE: 3284600 12.6419 -143.884 81.2662 -148.201 282.459 126.183 61.1932 196.246 -123.571 PRESSAVG: 3284600 23.8796 -78.6604 -9.68762 -78.6605 15.71 38.3947 -9.68763 38.3947 -23.1732 GPRESSAVG: 3284600 23.1599 -80.9846 -9.46014 -80.6469 17.563 36.2141 -9.58746 41.1303 -24.1204 TIMING: 3284600 CPU: 9890.07, 0.00299479/step Wall: 9890.07, 0.00299479/step, 1.42702 hours remaining, 209.710938 MB of memory in use. ENERGY: 3284600 746.6729 2039.4181 1924.5359 103.4155 -206212.5681 17844.8456 0.0000 0.0000 34335.2306 -149218.4495 299.8581 -183553.6800 -149120.4007 298.9094 23.1764 57.1766 556712.0680 5.4722 5.5342 PRESSURE: 3284800 103.502 1.03083 30.6393 1.03074 73.7619 -24.6122 30.6392 -24.6127 -19.5135 GPRESSURE: 3284800 124.265 39.5505 82.8807 -75.9567 67.835 -42.8565 -6.66457 -25.2472 46.8526 PRESSAVG: 3284800 -21.922 27.509 21.6483 27.509 30.2517 27.4972 21.6482 27.4973 -33.4834 GPRESSAVG: 3284800 -21.8728 25.8981 19.1272 29.1107 30.3969 28.6979 23.6164 24.978 -34.0507 TIMING: 3284800 CPU: 9890.67, 0.00300331/step Wall: 9890.67, 0.00300331/step, 1.43091 hours remaining, 209.710938 MB of memory in use. ENERGY: 3284800 707.4613 2065.3785 1944.2202 112.1272 -206305.7910 17843.6601 0.0000 0.0000 34347.2235 -149285.7203 299.9628 -183632.9437 -149193.7160 298.6651 52.5834 79.6509 557396.8002 -8.3845 -8.5088 PRESSURE: 3285000 -107.725 -84.2958 -3.76498 -84.2962 37.5829 -18.622 -3.76446 -18.6222 13.3234 GPRESSURE: 3285000 -67.6223 50.4753 -83.0894 -103.257 89.9687 -43.4658 39.0884 68.7952 18.2231 PRESSAVG: 3285000 48.1543 69.9986 -19.6002 69.9986 2.49566 3.44647 -19.6002 3.44645 -36.9849 GPRESSAVG: 3285000 48.8715 70.7217 -16.3386 71.4429 1.50199 2.07868 -21.7181 3.57263 -36.844 TIMING: 3285000 CPU: 9891.27, 0.00299396/step Wall: 9891.27, 0.00299396/step, 1.42629 hours remaining, 209.710938 MB of memory in use. ENERGY: 3285000 784.7535 2113.3010 1944.1038 118.1427 -206464.4823 17954.6346 0.0000 0.0000 34228.0032 -149321.5435 298.9217 -183549.5467 -149219.9471 299.0845 -18.9394 13.5231 558309.3057 4.5550 4.5098 PRESSURE: 3285200 -138.848 -44.6858 15.4363 -44.686 -99.305 -140.033 15.4358 -140.034 -100.775 GPRESSURE: 3285200 -161.352 -115.362 74.425 29.4072 10.606 -162.424 -53.5247 -69.7316 -92.2899 PRESSAVG: 3285200 24.0183 -6.50952 -25.8425 -6.5094 32.5433 -5.77717 -25.8425 -5.77722 -64.1362 GPRESSAVG: 3285200 23.7153 -7.02392 -26.6871 -8.14975 33.5806 -3.83976 -25.872 -5.07816 -65.4358 TIMING: 3285200 CPU: 9891.87, 0.00300579/step Wall: 9891.87, 0.00300579/step, 1.43176 hours remaining, 209.710938 MB of memory in use. ENERGY: 3285200 732.2570 2115.4338 1918.5899 105.1489 -206211.9463 17744.5433 0.0000 0.0000 34177.9880 -149417.9854 298.4849 -183595.9734 -149322.9757 298.7736 -112.9761 -81.0120 558461.1273 -2.5249 -2.7133 PRESSURE: 3285400 49.2332 155.851 8.54809 155.851 55.9774 15.356 8.54812 15.3558 -378.715 GPRESSURE: 3285400 62.4829 127.353 -38.7135 167.891 83.7935 -73.544 22.9461 43.6073 -326.12 PRESSAVG: 3285400 -9.15611 31.7437 -6.39248 31.7438 4.6081 -23.7331 -6.3925 -23.7331 41.5833 GPRESSAVG: 3285400 -9.83946 30.151 -8.97758 32.8349 4.54093 -23.5269 -5.59583 -26.623 42.9461 TIMING: 3285400 CPU: 9892.47, 0.00299803/step Wall: 9892.47, 0.00299803/step, 1.4279 hours remaining, 209.710938 MB of memory in use. ENERGY: 3285400 768.6606 2093.7692 1929.0367 115.1036 -206029.4148 17744.1011 0.0000 0.0000 34150.7680 -149227.9755 298.2472 -183378.7435 -149131.5145 298.6305 -91.1680 -59.9478 558402.9968 12.3451 12.5492 PRESSURE: 3285600 415.532 -109.983 159.222 -109.983 132.084 113.188 159.222 113.186 70.5722 GPRESSURE: 3285600 433.055 -98.2987 248.464 -95.2043 170.371 175.269 81.8107 61.1275 110.82 PRESSAVG: 3285600 37.0765 -10.8314 -26.8053 -10.8314 -7.54693 3.293 -26.8053 3.29309 -43.7652 GPRESSAVG: 3285600 36.9909 -8.1809 -25.8423 -10.8576 -6.82013 0.653455 -26.7578 8.15881 -44.621 TIMING: 3285600 CPU: 9893.06, 0.00297513/step Wall: 9893.06, 0.00297513/step, 1.41682 hours remaining, 209.710938 MB of memory in use. ENERGY: 3285600 725.3778 2123.7935 1951.1540 111.8284 -206784.5873 18318.3258 0.0000 0.0000 34332.2070 -149221.9008 299.8317 -183554.1078 -149125.9336 299.5430 206.0626 238.0820 559161.0347 -4.7452 -4.8167 PRESSURE: 3285800 81.8869 99.854 -18.0256 99.8531 198.174 -86.739 -18.0256 -86.7393 45.5803 GPRESSURE: 3285800 107.271 -46.2629 4.63511 128.686 223.029 -155.727 105.507 -153.809 104.712 PRESSAVG: 3285800 -10.2853 48.5369 -40.7137 48.5368 12.0548 -17.9441 -40.7137 -17.9441 4.88373 GPRESSAVG: 3285800 -10.1133 46.0574 -38.9855 50.3911 11.8234 -16.0429 -40.7276 -21.1641 6.03999 TIMING: 3285800 CPU: 9893.65, 0.00295589/step Wall: 9893.65, 0.00295589/step, 1.4075 hours remaining, 209.710938 MB of memory in use. ENERGY: 3285800 691.6173 2096.7028 1945.7062 116.9939 -206354.7697 17943.5840 0.0000 0.0000 34396.5798 -149163.5856 300.3939 -183560.1655 -149059.2436 300.0335 108.5470 145.0039 556886.3101 2.2177 2.5834 PRESSURE: 3286000 75.1692 -77.4646 -193.629 -77.466 -13.9137 14.7387 -193.63 14.7385 -21.8246 GPRESSURE: 3286000 66.9534 -74.7784 -184.24 -88.5176 39.4006 37.8928 -135.108 -35.3938 24.4375 PRESSAVG: 3286000 6.95833 14.3217 -12.8782 14.3216 10.421 -38.5165 -12.8782 -38.5165 -31.9754 GPRESSAVG: 3286000 6.38344 16.06 -14.0782 11.0092 10.4392 -38.7852 -13.8686 -37.4822 -31.9522 TIMING: 3286000 CPU: 9894.25, 0.00297296/step Wall: 9894.25, 0.00297296/step, 1.41546 hours remaining, 209.710938 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 752.8520 2091.7659 1935.2257 119.0594 -206270.2448 17955.8297 0.0000 0.0000 34270.4676 -149145.0446 299.2925 -183415.5122 -149051.0909 299.8825 13.1436 43.5972 558131.6607 -4.8654 -5.0432 PRESSURE: 3286200 86.6935 -20.497 -103.373 -20.4968 -0.824336 -35.5374 -103.373 -35.5386 180.787 GPRESSURE: 3286200 130.958 4.75554 -112.918 -33.4574 34.7234 -61.9133 -90.723 -19.1275 203.901 PRESSAVG: 3286200 2.05993 12.3402 0.496518 12.3402 6.09707 28.3423 0.496427 28.3423 39.0763 GPRESSAVG: 3286200 2.47417 11.6207 2.55293 13.3424 5.33715 28.4446 0.469513 27.1014 39.6507 TIMING: 3286200 CPU: 9894.84, 0.00297148/step Wall: 9894.84, 0.00297148/step, 1.41459 hours remaining, 209.710938 MB of memory in use. ENERGY: 3286200 772.5127 2061.7869 1924.2426 113.3570 -206383.0990 18004.2344 0.0000 0.0000 34183.3715 -149323.5939 298.5319 -183506.9654 -149232.8337 299.1043 88.8853 123.1940 557575.0387 15.7444 15.8207 PRESSURE: 3286400 186.1 32.1433 94.3908 32.1426 187.392 49.2569 94.3914 49.257 206.373 GPRESSURE: 3286400 226.912 -24.6416 133.984 10.8561 199.059 66.6966 19.4143 124.473 242.492 PRESSAVG: 3286400 4.43038 -42.7567 -23.7769 -42.7566 -25.6876 -72.4047 -23.777 -72.4046 26.1996 GPRESSAVG: 3286400 4.80188 -41.7023 -25.004 -43.7667 -24.994 -72.1839 -23.6121 -70.5464 24.5594 TIMING: 3286400 CPU: 9895.44, 0.002989/step Wall: 9895.44, 0.002989/step, 1.42277 hours remaining, 209.710938 MB of memory in use. ENERGY: 3286400 757.6836 2088.9403 1931.1727 102.2973 -206435.2441 18042.5798 0.0000 0.0000 34326.6480 -149185.9224 299.7832 -183512.5704 -149084.8471 299.1293 193.2884 222.8210 555904.2412 1.6475 1.4558 PRESSURE: 3286600 -153.868 -63.2621 196.468 -63.2634 94.2215 -69.491 196.469 -69.4897 130.408 GPRESSURE: 3286600 -74.7318 -87.605 202.402 -66.1817 139.434 -64.5649 97.7808 -136.622 109.404 PRESSAVG: 3286600 -32.3865 18.9795 24.8816 18.9795 -27.0367 30.3533 24.8817 30.3532 58.9491 GPRESSAVG: 3286600 -32.2988 20.0724 23.4621 18.1005 -28.2487 30.5263 27.1467 30.3169 60.1819 TIMING: 3286600 CPU: 9896.03, 0.00297977/step Wall: 9896.03, 0.00297977/step, 1.41821 hours remaining, 209.710938 MB of memory in use. ENERGY: 3286600 771.6759 2080.3687 1949.2230 116.2903 -206608.1795 17916.1430 0.0000 0.0000 34720.7421 -149053.7366 303.2249 -183774.4788 -148949.3345 299.6531 23.5872 58.0355 554924.6060 -0.1580 -0.1219 PRESSURE: 3286800 -271.049 -9.37897 231.978 -9.37936 -150.162 -23.7816 231.978 -23.7817 -91.6373 GPRESSURE: 3286800 -233.361 -53.3696 240.116 -37.6812 -135.062 -115.3 159.76 61.0937 -61.0837 PRESSAVG: 3286800 10.6416 39.836 15.7731 39.836 -23.1255 -54.3954 15.773 -54.3953 3.83848 GPRESSAVG: 3286800 9.79762 39.3442 16.0084 40.6556 -22.3889 -53.3154 13.4414 -55.6792 3.99148 TIMING: 3286800 CPU: 9896.64, 0.00300188/step Wall: 9896.64, 0.00300188/step, 1.42856 hours remaining, 209.710938 MB of memory in use. ENERGY: 3286800 721.6249 2099.8352 1916.5707 109.0412 -205755.0251 17530.2505 0.0000 0.0000 34350.5705 -149027.1320 299.9921 -183377.7026 -148926.9081 299.9491 -170.9495 -143.1687 557646.8297 -2.8818 -2.8666 PRESSURE: 3287000 -159.462 65.1036 -103.988 65.1046 -148.436 -125.019 -103.988 -125.021 -257.023 GPRESSURE: 3287000 -215.2 -60.0466 -95.5965 95.5954 -53.4073 -26.4437 -210.918 -116.168 -207.695 PRESSAVG: 3287000 1.29258 38.1198 -38.6484 38.1197 57.6175 -56.9287 -38.6483 -56.9287 -8.58393 GPRESSAVG: 3287000 1.85835 36.1694 -35.8112 39.1561 57.8275 -55.1885 -38.1591 -58.2255 -8.7172 TIMING: 3287000 CPU: 9897.23, 0.00299103/step Wall: 9897.23, 0.00299103/step, 1.42323 hours remaining, 209.710938 MB of memory in use. ENERGY: 3287000 769.3671 2111.1774 1923.2364 128.3051 -205646.2025 17481.2803 0.0000 0.0000 34207.5145 -149025.3217 298.7427 -183232.8362 -148923.7357 300.4480 -188.3073 -158.7674 558358.3401 16.7754 16.9896 PRESSURE: 3287200 5.64954 12.0477 -27.7 12.0466 104.213 -79.4856 -27.7009 -79.4848 5.29761 GPRESSURE: 3287200 46.6193 4.21807 -9.53955 10.7604 123.934 -94.1683 -38.6361 -55.6996 38.911 PRESSAVG: 3287200 -35.3064 15.7503 -18.2545 15.7502 8.59443 -64.1594 -18.2545 -64.1595 22.0585 GPRESSAVG: 3287200 -35.8203 18.8144 -20.5889 15.3126 9.1663 -65.2439 -16.994 -63.4978 22.082 TIMING: 3287200 CPU: 9897.83, 0.00298349/step Wall: 9897.83, 0.00298349/step, 1.41948 hours remaining, 209.710938 MB of memory in use. ENERGY: 3287200 749.5439 2080.9758 1948.3422 101.4278 -206286.2688 17855.8336 0.0000 0.0000 34597.2850 -148952.8606 302.1467 -183550.1456 -148856.0516 300.4076 38.3868 69.8213 557533.7432 -1.5512 -1.5240 PRESSURE: 3287400 -316.225 110.801 -60.8852 110.8 72.2794 -46.8294 -60.8855 -46.8284 -208.811 GPRESSURE: 3287400 -242.029 134.714 -17.3256 148.983 96.0644 -32.7293 -74.9491 -33.4026 -205.83 PRESSAVG: 3287400 82.5196 -19.5793 -4.54839 -19.5794 -31.3968 -9.50496 -4.54837 -9.50499 -31.9281 GPRESSAVG: 3287400 83.6439 -22.4365 -3.23782 -18.496 -31.2925 -12.2507 -8.42234 -6.88259 -33.0553 TIMING: 3287400 CPU: 9898.43, 0.00298057/step Wall: 9898.43, 0.00298057/step, 1.41792 hours remaining, 209.710938 MB of memory in use. ENERGY: 3287400 785.0187 2102.9576 1931.1342 123.5320 -205533.4883 17436.3392 0.0000 0.0000 34166.3043 -148988.2024 298.3828 -183154.5066 -148891.2779 300.1476 -150.9188 -117.2649 557985.9858 6.3982 6.4320 PRESSURE: 3287600 -492.121 78.1498 17.8659 78.1503 -114.826 -6.56736 17.8658 -6.56734 -77.0863 GPRESSURE: 3287600 -439.535 92.0659 -32.4146 35.9576 -125.992 28.6519 52.6101 41.888 -12.199 PRESSAVG: 3287600 -29.787 48.4951 -57.4926 48.4952 43.5412 8.83015 -57.4926 8.83016 -0.161457 GPRESSAVG: 3287600 -30.9407 50.5891 -60.1133 46.3552 43.2341 8.51762 -54.1588 8.34361 1.42909 TIMING: 3287600 CPU: 9899.02, 0.00295807/step Wall: 9899.02, 0.00295807/step, 1.40705 hours remaining, 209.710938 MB of memory in use. ENERGY: 3287600 748.0978 2143.2185 1918.9631 112.2156 -205525.2225 17371.5278 0.0000 0.0000 34233.9062 -148997.2935 298.9732 -183231.1997 -148905.3235 299.7880 -228.0112 -192.5752 558995.0436 4.5309 4.5742 PRESSURE: 3287800 -128.015 -60.9744 -20.674 -60.9737 -142.483 -81.4246 -20.6736 -81.4234 -97.812 GPRESSURE: 3287800 -99.1232 -20.7347 -71.7124 -53.7028 -73.4103 -93.3359 -10.1851 -108.747 -97.6553 PRESSAVG: 3287800 -43.3556 -9.75939 -1.36382 -9.75932 2.84977 3.06974 -1.3639 3.06965 65.6786 GPRESSAVG: 3287800 -43.4389 -9.24842 -1.06729 -8.05445 4.41181 6.25077 0.241069 3.05673 64.455 TIMING: 3287800 CPU: 9899.61, 0.00297319/step Wall: 9899.61, 0.00297319/step, 1.41408 hours remaining, 209.710938 MB of memory in use. ENERGY: 3287800 750.8548 2047.6288 1936.1913 121.9423 -205890.9948 17654.0336 0.0000 0.0000 34305.3002 -149075.0438 299.5967 -183380.3439 -148978.2850 299.5395 -122.7700 -90.0629 558621.5062 8.3909 8.4760 PRESSURE: 3288000 -189.698 64.3654 -82.7759 64.3649 208.207 134.882 -82.7767 134.883 128.421 GPRESSURE: 3288000 -103.201 49.9809 -37.711 152.523 151.899 64.3185 -82.7086 70.2806 191.343 PRESSAVG: 3288000 -18.9057 23.1494 -0.653247 23.1495 -19.8286 -0.708905 -0.653179 -0.709018 30.1819 GPRESSAVG: 3288000 -18.7637 23.5731 0.235357 24.8139 -20.6466 -2.79191 -1.53069 -2.52624 31.1185 TIMING: 3288000 CPU: 9900.21, 0.00299964/step Wall: 9900.21, 0.00299964/step, 1.4265 hours remaining, 209.710938 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 776.1333 2117.3029 1954.8468 114.3750 -206069.9021 17875.5904 0.0000 0.0000 34128.0706 -149103.5830 298.0489 -183231.6537 -149002.3220 299.0221 48.9768 80.0139 559028.7656 -2.8508 -2.7639 PRESSURE: 3288200 367.043 109.882 -2.422 109.883 -153.538 149.715 -2.42052 149.714 107.51 GPRESSURE: 3288200 367.362 144.785 13.1208 32.7504 -106.727 109.479 50.2331 171.596 153.828 PRESSAVG: 3288200 -27.5986 15.7217 -32.3064 15.7217 -33.517 -39.1679 -32.3064 -39.1679 35.7593 GPRESSAVG: 3288200 -26.5673 14.6173 -31.7976 12.6455 -34.8407 -37.5345 -32.4966 -37.8674 36.6981 TIMING: 3288200 CPU: 9900.82, 0.0030452/step Wall: 9900.82, 0.0030452/step, 1.44799 hours remaining, 209.710938 MB of memory in use. ENERGY: 3288200 735.1041 2016.9629 1934.3656 102.7234 -206529.5957 18017.3055 0.0000 0.0000 34595.7459 -149127.3884 302.1333 -183723.1343 -149029.8892 299.7475 107.0050 138.1542 557572.5745 -8.4521 -8.2366 LDB: ============= START OF LOAD BALANCING ============== 9904.34 LDB: ============== END OF LOAD BALANCING =============== 9904.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9904.34 LDB: ============= START OF LOAD BALANCING ============== 9904.65 LDB: Largest compute 4802 load 0.029098 is 24.6% of average load 0.118192 LDB: Average compute 0.001728 is 1.5% of average load 0.118192 LDB: TIME 9904.65 LOAD: AVG 0.118192 MAX 0.209347 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.156 MB LDB: TIME 9904.65 LOAD: AVG 0.118192 MAX 0.209347 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.406 MB LDB: TIME 9904.65 LOAD: AVG 0.118192 MAX 0.209347 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.406 MB LDB: ============== END OF LOAD BALANCING =============== 9904.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9904.65 PRESSURE: 3288400 -197.351 -54.7287 167.701 -54.7282 -209.192 81.4346 167.701 81.4331 -109.087 GPRESSURE: 3288400 -125.893 -103.732 83.1644 -65.9131 -184.555 119.908 192.059 45.8598 -106.645 PRESSAVG: 3288400 39.8206 -14.2582 -20.8816 -14.2583 -63.2147 -1.58038 -20.8815 -1.58024 -28.2969 GPRESSAVG: 3288400 39.745 -16.3456 -22.9722 -12.8636 -61.8562 -1.01906 -18.9586 -1.17511 -30.0838 TIMING: 3288400 CPU: 9901.44, 0.0030802/step Wall: 9901.44, 0.0030802/step, 1.46446 hours remaining, 209.441406 MB of memory in use. ENERGY: 3288400 779.6786 2095.3407 1927.7273 116.5559 -205839.2311 17541.4434 0.0000 0.0000 34238.1011 -149140.3840 299.0099 -183378.4852 -149041.8268 299.0401 -171.8764 -139.0311 557862.8670 -17.2303 -17.3983 PRESSURE: 3288600 -199.523 -17.7893 -30.8578 -17.7892 -184.229 -1.24558 -30.857 -1.24554 -253.351 GPRESSURE: 3288600 -148.773 -5.39468 36.2332 50.0969 -171.02 -18.2907 -135.049 -47.8831 -224.36 PRESSAVG: 3288600 27.4229 -0.137586 29.5463 -0.137507 -23.9731 -9.1624 29.5463 -9.16252 10.2666 GPRESSAVG: 3288600 25.6618 -1.7234 30.931 1.68394 -23.5277 -10.244 28.0817 -8.42877 11.0678 TIMING: 3288600 CPU: 9902.04, 0.0030371/step Wall: 9902.04, 0.0030371/step, 1.4438 hours remaining, 209.644531 MB of memory in use. ENERGY: 3288600 794.8832 2124.0276 1911.0777 119.4329 -205768.7590 17465.8087 0.0000 0.0000 34258.3365 -149095.1925 299.1866 -183353.5290 -148993.7024 299.5976 -212.3677 -181.3844 558070.7474 4.5721 4.4007 PRESSURE: 3288800 105.33 -95.2425 86.7615 -95.2429 107.882 -43.5197 86.7613 -43.5188 -72.3734 GPRESSURE: 3288800 70.8407 -142.749 128.194 -61.4103 165.685 -12.5641 126.137 -89.9628 -2.70801 PRESSAVG: 3288800 22.8433 -14.5565 -0.387234 -14.5565 -28.0905 40.2118 -0.387304 40.2118 -3.6885 GPRESSAVG: 3288800 22.4735 -12.3848 1.01359 -16.9571 -28.1856 40.5487 -1.70599 38.6417 -3.27098 TIMING: 3288800 CPU: 9902.64, 0.00299287/step Wall: 9902.64, 0.00299287/step, 1.42261 hours remaining, 209.644531 MB of memory in use. ENERGY: 3288800 756.1135 2081.9536 1958.5089 114.3854 -206445.4884 17936.7047 0.0000 0.0000 34401.0099 -149196.8123 300.4326 -183597.8222 -149107.1810 299.1192 46.9462 77.9393 554735.3592 -2.9786 -2.9944 PRESSURE: 3289000 122.05 -10.8702 53.9088 -10.8685 249.434 -57.6512 53.9096 -57.6516 -113.896 GPRESSURE: 3289000 172.514 17.178 88.769 -5.28186 237.366 -98.2888 13.4491 -48.8481 -45.1157 PRESSAVG: 3289000 17.0126 8.55668 11.8045 8.55668 -12.702 45.3733 11.8045 45.3733 -5.78731 GPRESSAVG: 3289000 19.5254 7.36623 9.81476 10.4773 -14.7966 44.045 13.7584 44.5081 -5.50253 TIMING: 3289000 CPU: 9903.24, 0.00299796/step Wall: 9903.24, 0.00299796/step, 1.42486 hours remaining, 209.644531 MB of memory in use. ENERGY: 3289000 763.3885 2078.3703 1929.5357 106.9137 -206122.5045 17907.3708 0.0000 0.0000 34262.8459 -149074.0798 299.2260 -183336.9256 -148977.3323 300.0100 85.8629 121.5881 556302.4380 -0.4923 -0.2579 PRESSURE: 3289200 354.717 52.3987 100.651 52.3984 230.946 155.303 100.651 155.302 156.941 GPRESSURE: 3289200 368.238 -36.8356 92.6979 88.2849 251.456 166.088 149.731 91.2314 210.547 PRESSAVG: 3289200 -7.45442 -21.4451 4.03625 -21.4451 24.6541 68.3531 4.03629 68.3531 -14.9576 GPRESSAVG: 3289200 -8.50214 -19.0285 5.55329 -22.7887 25.3468 68.9823 2.72695 68.7138 -14.1221 TIMING: 3289200 CPU: 9903.84, 0.00297716/step Wall: 9903.84, 0.00297716/step, 1.41481 hours remaining, 209.644531 MB of memory in use. ENERGY: 3289200 748.6139 2103.0433 1928.7627 106.7409 -205970.1368 17848.4005 0.0000 0.0000 34274.2883 -148960.2871 299.3259 -183234.5754 -148869.1704 300.0014 247.5347 276.7470 554435.4146 0.7474 0.9075 PRESSURE: 3289400 171.423 -14.9409 5.73626 -14.9412 -32.7344 117.812 5.73512 117.813 43.0871 GPRESSURE: 3289400 184.247 -31.3988 -1.66724 28.0027 -24.4411 94.0264 17.7118 88.3963 121.959 PRESSAVG: 3289400 25.6283 24.8647 -1.72935 24.8647 67.971 24.5068 -1.72934 24.5069 -54.5251 GPRESSAVG: 3289400 25.2501 23.3657 -3.42704 23.9146 69.238 23.7109 -2.41104 27.4958 -55.6113 TIMING: 3289400 CPU: 9904.43, 0.00298078/step Wall: 9904.43, 0.00298078/step, 1.41637 hours remaining, 209.644531 MB of memory in use. ENERGY: 3289400 740.0249 2100.7214 1961.4129 105.1972 -206181.2280 17873.7031 0.0000 0.0000 34308.6778 -149091.4907 299.6262 -183400.1685 -148985.8670 300.2238 60.5918 93.9217 556065.9311 13.0248 12.9589 PRESSURE: 3289600 -149.701 35.6826 -91.0655 35.683 162.617 25.7872 -91.0655 25.7878 -5.61809 GPRESSURE: 3289600 -174.915 8.84685 -91.1798 64.4551 192 -32.5635 -82.1211 63.6627 79.5786 PRESSAVG: 3289600 -17.1967 -2.75268 10.1023 -2.75268 -34.1045 46.388 10.1022 46.3881 31.5626 GPRESSAVG: 3289600 -17.655 -2.64501 10.0998 -1.6022 -34.9111 48.6143 10.4705 45.0658 32.5696 TIMING: 3289600 CPU: 9905.04, 0.00302433/step Wall: 9905.04, 0.00302433/step, 1.43689 hours remaining, 209.644531 MB of memory in use. ENERGY: 3289600 746.3401 2152.0553 1930.4253 106.7919 -205993.0324 17695.7172 0.0000 0.0000 34388.6819 -148973.0207 300.3249 -183361.7026 -148878.4834 300.3148 2.4327 32.2213 556802.5955 -6.5795 -6.6655 PRESSURE: 3289800 56.6481 -56.0502 1.14813 -56.0488 -104.63 -31.9665 1.14783 -31.9662 140.394 GPRESSURE: 3289800 55.9252 2.27662 -21.4291 -124.359 -68.342 -85.063 112.217 -25.9177 194.739 PRESSAVG: 3289800 -51.7002 -25.3019 9.15381 -25.3018 44.8792 60.1439 9.1538 60.1439 43.7875 GPRESSAVG: 3289800 -50.6838 -25.3903 9.73328 -25.523 44.5367 57.3187 11.2988 60.2323 42.9286 TIMING: 3289800 CPU: 9905.64, 0.00301522/step Wall: 9905.64, 0.00301522/step, 1.43239 hours remaining, 209.644531 MB of memory in use. ENERGY: 3289800 734.9616 2150.9832 1930.5680 122.7250 -206229.8818 17963.2757 0.0000 0.0000 34315.7168 -149011.6515 299.6877 -183327.3682 -148919.2516 299.9799 30.8041 60.7740 556450.1784 12.3222 12.2605 PRESSURE: 3290000 -191.953 107.017 -181.165 107.017 -335.274 83.7557 -181.164 83.7543 -166.079 GPRESSURE: 3290000 -107.874 167.806 -226.201 126.604 -328.038 104.452 -204.934 77.0185 -145.107 PRESSAVG: 3290000 -53.5556 -34.8839 5.37729 -34.8838 3.05408 -4.95301 5.37727 -4.95296 33.934 GPRESSAVG: 3290000 -53.1425 -36.2545 4.24076 -32.7984 3.52925 -2.55672 4.47551 -5.81053 33.0393 TIMING: 3290000 CPU: 9906.24, 0.00298809/step Wall: 9906.24, 0.00298809/step, 1.41934 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: 3290000 756.7146 2069.2406 1941.5596 132.8966 -205824.8693 17482.5206 0.0000 0.0000 34337.6883 -149104.2489 299.8796 -183441.9373 -148999.6352 299.9895 -231.1020 -193.6730 557305.5528 -5.5225 -5.5247 PRESSURE: 3290200 -188.52 63.3088 123.889 63.3085 -169.563 -52.4879 123.888 -52.4867 -60.0703 GPRESSURE: 3290200 -204.161 -16.0037 221.331 117.238 -114.153 25.7487 59.7087 -20.6601 -15.2702 PRESSAVG: 3290200 37.8898 -12.871 55.0852 -12.871 11.3842 18.669 55.0851 18.6691 -39.6977 GPRESSAVG: 3290200 37.1378 -10.0018 56.6194 -14.066 10.9745 18.4576 54.2585 19.497 -38.7886 TIMING: 3290200 CPU: 9906.83, 0.00297223/step Wall: 9906.83, 0.00297223/step, 1.41164 hours remaining, 209.644531 MB of memory in use. ENERGY: 3290200 745.9355 2049.3330 1923.2055 102.4675 -206081.7567 17689.8694 0.0000 0.0000 34422.2895 -149148.6563 300.6184 -183570.9458 -149043.1467 299.1929 -139.3847 -111.1947 559350.2554 3.1921 3.1079 PRESSURE: 3290400 -401.843 -36.3556 9.45625 -36.3568 -168.877 -44.2128 9.4542 -44.2124 -196.821 GPRESSURE: 3290400 -364.23 -12.2136 -10.0563 -28.2541 -97.8576 -25.0981 -11.3378 -48.4289 -212.633 PRESSAVG: 3290400 -1.76286 -2.49262 25.74 -2.49266 41.964 17.0702 25.74 17.0702 -21.7232 GPRESSAVG: 3290400 -1.8389 -1.80768 27.1184 -3.43502 42.8312 17.2485 23.8472 16.2218 -23.1383 TIMING: 3290400 CPU: 9907.44, 0.00302138/step Wall: 9907.44, 0.00302138/step, 1.43482 hours remaining, 209.644531 MB of memory in use. ENERGY: 3290400 730.6299 2104.7793 1965.8086 116.7485 -205906.6010 17485.3183 0.0000 0.0000 34558.3860 -148944.9304 301.8070 -183503.3164 -148846.8247 300.1451 -255.8467 -224.9070 559095.4051 6.1593 5.9513 PRESSURE: 3290600 -73.2014 -140.679 -67.6898 -140.678 205.259 -33.9215 -67.6897 -33.9208 -274.63 GPRESSURE: 3290600 38.1923 -171.074 51.8935 -75.3937 137.44 -104.083 -147.298 -7.01109 -227.365 PRESSAVG: 3290600 30.7435 -10.7464 -24.54 -10.7463 45.2479 -32.506 -24.54 -32.506 -33.8953 GPRESSAVG: 3290600 31.2423 -11.5173 -25.6979 -11.3015 44.6317 -32.5864 -23.8173 -31.45 -34.072 TIMING: 3290600 CPU: 9908.04, 0.00301213/step Wall: 9908.04, 0.00301213/step, 1.43026 hours remaining, 209.644531 MB of memory in use. ENERGY: 3290600 736.0484 2088.7636 1942.9700 126.5128 -205837.7028 17745.2187 0.0000 0.0000 34302.1068 -148896.0826 299.5688 -183198.1894 -148797.6556 300.4994 -47.5238 -17.2443 557878.2963 14.0320 13.9340 PRESSURE: 3290800 -422.57 -31.8703 23.5697 -31.8697 -426.798 164.157 23.5696 164.156 -315.422 GPRESSURE: 3290800 -369.089 32.2915 57.3663 -61.5816 -372.996 198.944 40.4077 105.708 -320.27 PRESSAVG: 3290800 -4.76906 -47.3143 -16.7616 -47.3144 -32.5946 0.324042 -16.7616 0.324057 -32.5289 GPRESSAVG: 3290800 -4.59039 -46.642 -18.2271 -47.9559 -32.3858 -0.349491 -15.7527 0.318101 -32.8033 TIMING: 3290800 CPU: 9908.64, 0.00301183/step Wall: 9908.64, 0.00301183/step, 1.42995 hours remaining, 209.644531 MB of memory in use. ENERGY: 3290800 776.4975 2066.5116 1923.0680 119.9696 -205361.4062 17260.9810 0.0000 0.0000 34245.5980 -148968.7805 299.0753 -183214.3785 -148868.5864 299.9436 -388.2636 -354.1183 558237.5363 -23.2975 -23.2598 PRESSURE: 3291000 -111.795 163.631 210.405 163.631 -183.67 137.392 210.405 137.392 33.4129 GPRESSURE: 3291000 -57.6498 242.901 151.156 55.1594 -145.061 89.1133 187.745 192.912 22.1916 PRESSAVG: 3291000 0.276688 1.51836 2.98699 1.51815 46.3895 10.4363 2.98699 10.4364 0.955006 GPRESSAVG: 3291000 -0.549122 1.79955 3.59532 1.50883 46.6741 9.78513 3.80733 10.2328 0.727339 TIMING: 3291000 CPU: 9909.24, 0.00299703/step Wall: 9909.24, 0.00299703/step, 1.42276 hours remaining, 209.644531 MB of memory in use. ENERGY: 3291000 749.7905 2048.6745 1948.2816 109.9453 -206188.9753 17918.1581 0.0000 0.0000 34286.4447 -149127.6807 299.4320 -183414.1253 -149032.2682 299.4191 -87.3508 -60.1731 557630.3294 15.8737 15.6174 PRESSURE: 3291200 48.7445 -155.638 10.5208 -155.637 -54.6694 159.62 10.5207 159.621 69.9758 GPRESSURE: 3291200 139.581 -176.082 78.3251 -79.6071 -51.8314 114.894 -8.22673 84.749 70.8413 PRESSAVG: 3291200 7.37417 16.2951 36.3195 16.2951 15.8267 0.722884 36.3195 0.722977 -28.2732 GPRESSAVG: 3291200 8.03856 14.6699 35.5944 17.772 15.0853 1.67799 36.957 0.294677 -28.5409 TIMING: 3291200 CPU: 9909.84, 0.00298846/step Wall: 9909.84, 0.00298846/step, 1.41852 hours remaining, 209.644531 MB of memory in use. ENERGY: 3291200 761.8538 2085.9946 1898.4970 105.2753 -206273.6281 17917.6344 0.0000 0.0000 34448.0592 -149056.3137 300.8435 -183504.3729 -148956.0027 299.3767 21.3503 52.8635 556184.3891 -1.6908 -1.8057 PRESSURE: 3291400 -69.5162 -166.516 -66.0149 -166.515 33.5809 -159.94 -66.0149 -159.939 -51.8194 GPRESSURE: 3291400 28.1137 -150.034 9.85908 -200.483 19.3159 -71.0271 -75.0188 -123.446 -52.3282 PRESSAVG: 3291400 40.8519 -40.5276 14.0802 -40.5277 -33.0282 4.83423 14.0803 4.83419 34.5473 GPRESSAVG: 3291400 41.5227 -37.8885 16.8974 -41.089 -34.6031 4.90075 11.9818 5.2692 35.2107 TIMING: 3291400 CPU: 9910.44, 0.0029881/step Wall: 9910.44, 0.0029881/step, 1.41819 hours remaining, 209.644531 MB of memory in use. ENERGY: 3291400 728.4763 2089.2502 1936.6848 103.1942 -205939.9284 17635.7236 0.0000 0.0000 34252.1989 -149194.4004 299.1330 -183446.5992 -149097.3859 299.8049 -29.2516 -1.6329 557305.7672 14.1236 14.0434 PRESSURE: 3291600 101.3 -74.471 108.367 -74.4718 -82.807 -54.1032 108.366 -54.1025 173.977 GPRESSURE: 3291600 150.349 -57.3074 109.716 -5.5058 -38.544 -34.8201 91.6194 -77.8135 171.597 PRESSAVG: 3291600 0.766255 -29.0299 33.5891 -29.0298 -27.4749 -8.30387 33.5892 -8.30385 33.6519 GPRESSAVG: 3291600 0.706382 -30.6545 31.3374 -29.0192 -26.4508 -9.64659 35.2955 -8.37533 33.3136 TIMING: 3291600 CPU: 9911.04, 0.00302212/step Wall: 9911.04, 0.00302212/step, 1.43416 hours remaining, 209.644531 MB of memory in use. ENERGY: 3291600 758.3864 2033.7163 1938.3364 104.1474 -206425.1244 17964.9353 0.0000 0.0000 34570.7727 -149054.8298 301.9152 -183625.6026 -148955.4483 299.7715 64.1565 94.4672 557579.6567 2.3144 2.5231 PRESSURE: 3291800 37.3926 -46.2555 94.6392 -46.2559 116.77 96.8485 94.639 96.8503 152.789 GPRESSURE: 3291800 85.2275 39.5861 119.541 -68.8348 157.375 -20.8591 96.4432 119.429 171.352 PRESSAVG: 3291800 17.4322 -15.7547 -4.0143 -15.7547 -30.442 48.5593 -4.01433 48.5594 13.9232 GPRESSAVG: 3291800 17.6164 -16.5915 -2.07129 -13.934 -28.6662 46.6283 -6.47844 48.6482 12.0908 TIMING: 3291800 CPU: 9911.65, 0.0030354/step Wall: 9911.65, 0.0030354/step, 1.4403 hours remaining, 209.644531 MB of memory in use. ENERGY: 3291800 686.2979 2059.9949 1941.6550 103.9586 -206045.3386 17884.8392 0.0000 0.0000 34291.4054 -149077.1877 299.4754 -183368.5931 -148977.3025 299.6359 102.3171 137.9849 558804.1160 0.3045 0.3470 PRESSURE: 3292000 60.5827 -60.3074 157.857 -60.3075 232.804 -24.1251 157.857 -24.125 -164.142 GPRESSURE: 3292000 142.288 -81.5272 105.393 -92.7205 198.614 17.0088 165.335 -56.8115 -113.965 PRESSAVG: 3292000 -18.175 -52.2223 37.408 -52.2223 17.6821 30.6176 37.4079 30.6177 -22.2794 GPRESSAVG: 3292000 -18.933 -51.2706 34.9038 -53.8628 18.0077 32.8779 39.2265 28.949 -21.9296 TIMING: 3292000 CPU: 9912.25, 0.00301845/step Wall: 9912.25, 0.00301845/step, 1.43209 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: 3292000 696.6873 2118.8058 1936.3166 103.9268 -205802.4501 17754.1427 0.0000 0.0000 34165.2471 -149027.3239 298.3736 -183192.5710 -148929.0467 299.7324 43.0816 75.6456 558964.4065 -7.5908 -7.6183 PRESSURE: 3292200 4.89982 -3.66062 132.439 -3.65978 198.434 76.8784 132.438 76.879 -105.148 GPRESSURE: 3292200 84.7652 3.68387 189.017 -26.9637 202.584 120.635 68.1995 26.1847 -102.208 PRESSAVG: 3292200 -21.5055 -39.7825 46.1089 -39.7825 1.43823 15.1352 46.1088 15.1352 22.6136 GPRESSAVG: 3292200 -20.958 -41.1116 46.0014 -38.9741 0.265394 15.1717 47.8259 15.8025 23.6539 TIMING: 3292200 CPU: 9912.85, 0.00299228/step Wall: 9912.85, 0.00299228/step, 1.4195 hours remaining, 209.644531 MB of memory in use. ENERGY: 3292200 753.3555 2106.1189 1935.9145 122.5525 -206084.8043 17914.5865 0.0000 0.0000 34215.7701 -149036.5062 298.8148 -183252.2763 -148941.5540 300.1130 32.7288 61.7137 559888.4667 0.8488 0.9871 LDB: ============= START OF LOAD BALANCING ============== 9916.37 LDB: ============== END OF LOAD BALANCING =============== 9916.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9916.37 LDB: ============= START OF LOAD BALANCING ============== 9916.67 LDB: Largest compute 4802 load 0.028989 is 24.5% of average load 0.118191 LDB: Average compute 0.001734 is 1.5% of average load 0.118191 LDB: TIME 9916.67 LOAD: AVG 0.118191 MAX 0.206573 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.164 MB LDB: TIME 9916.67 LOAD: AVG 0.118191 MAX 0.206573 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.238 MB LDB: TIME 9916.67 LOAD: AVG 0.118191 MAX 0.206573 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.238 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9916.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9916.68 PRESSURE: 3292400 -8.18126 167.889 -101.772 167.889 436.427 45.9573 -101.772 45.9565 30.297 GPRESSURE: 3292400 50.9487 135.395 -54.1814 160.276 455.274 6.03789 -35.5984 68.2435 47.4914 PRESSAVG: 3292400 19.631 29.6291 37.3249 29.6292 -20.3105 54.3138 37.325 54.314 11.3399 GPRESSAVG: 3292400 19.1407 31.8471 38.397 28.4272 -20.6505 55.2884 37.7364 52.3901 11.8937 TIMING: 3292400 CPU: 9913.46, 0.00303901/step Wall: 9913.46, 0.00303901/step, 1.44151 hours remaining, 210.242188 MB of memory in use. ENERGY: 3292400 750.6467 2088.7781 1940.8977 108.9816 -206719.4745 18354.2099 0.0000 0.0000 34323.3530 -149152.6074 299.7544 -183475.9604 -149060.2376 299.4319 152.8475 184.5713 560402.1746 3.5535 3.4613 PRESSURE: 3292600 59.5078 -58.6965 112.482 -58.6957 332.178 -122.075 112.483 -122.075 -44.0432 GPRESSURE: 3292600 79.171 -127.153 12.0424 21.3291 394.725 -185.557 178.208 -87.3398 -19.4971 PRESSAVG: 3292600 -53.5584 -23.7738 -21.0635 -23.7739 43.3969 2.09635 -21.0636 2.09629 24.741 GPRESSAVG: 3292600 -53.2546 -23.8228 -20.271 -23.0863 44.2997 0.529172 -23.0972 5.55448 23.2793 TIMING: 3292600 CPU: 9914.06, 0.0030031/step Wall: 9914.06, 0.0030031/step, 1.4243 hours remaining, 210.312500 MB of memory in use. ENERGY: 3292600 738.8201 2072.2532 1926.9157 121.8056 -206219.0161 18160.5699 0.0000 0.0000 33992.5364 -149206.1151 296.8653 -183198.6516 -149112.6105 298.9335 115.8810 151.4664 559520.1407 4.8598 4.7748 PRESSURE: 3292800 110.083 6.50659 32.6278 6.50688 -74.7761 -87.8645 32.6276 -87.863 116.972 GPRESSURE: 3292800 123.788 -5.68591 42.4772 55.706 -20.7968 -110.249 2.68704 -14.334 147.379 PRESSAVG: 3292800 -3.39924 -22.6656 -1.81492 -22.6656 -28.6436 -18.5761 -1.81488 -18.5761 -1.25147 GPRESSAVG: 3292800 -3.55273 -22.6579 -2.96579 -23.0188 -28.6668 -17.5344 -0.12757 -21.8187 -0.697028 TIMING: 3292800 CPU: 9914.66, 0.00298655/step Wall: 9914.66, 0.00298655/step, 1.41629 hours remaining, 210.312500 MB of memory in use. ENERGY: 3292800 738.4599 2086.3863 1930.1623 118.3172 -206302.3032 17898.9649 0.0000 0.0000 34236.5666 -149293.4459 298.9965 -183530.0126 -149200.8614 298.0703 50.7597 83.4566 557440.7484 -11.0981 -10.9722 PRESSURE: 3293000 200.399 83.2671 27.3749 83.2683 -226.346 -37.2568 27.3747 -37.258 -89.0095 GPRESSURE: 3293000 230.683 158.312 84.5602 -50.7231 -184.599 -28.4505 39.8065 -28.1701 -53.1625 PRESSAVG: 3293000 12.2943 45.9754 37.0161 45.9754 -22.4866 39.1236 37.0161 39.1236 -51.2158 GPRESSAVG: 3293000 13.4484 45.7143 38.7737 45.7291 -22.88 37.8628 34.4551 41.777 -51.5404 TIMING: 3293000 CPU: 9915.26, 0.00299113/step Wall: 9915.26, 0.00299113/step, 1.41829 hours remaining, 210.312500 MB of memory in use. ENERGY: 3293000 738.7646 2060.8998 1910.8419 109.5332 -206364.2465 17912.0982 0.0000 0.0000 34127.8996 -149504.2093 298.0474 -183632.1088 -149401.5536 299.2179 -38.3190 -2.3596 558720.7792 -20.4694 -20.3240 PRESSURE: 3293200 190.166 -76.0858 156.55 -76.0854 -210.256 -85.5119 156.551 -85.5136 -214.885 GPRESSURE: 3293200 206.934 -63.4003 48.551 -103.358 -150.984 -54.1239 177.639 -36.8759 -200.93 PRESSAVG: 3293200 61.293 -23.8718 18.3142 -23.8719 52.4054 4.59345 18.3141 4.5935 -73.4814 GPRESSAVG: 3293200 60.452 -23.426 17.9338 -23.6869 53.6955 4.61028 19.6264 3.23446 -73.8631 TIMING: 3293200 CPU: 9915.85, 0.00296839/step Wall: 9915.85, 0.00296839/step, 1.40734 hours remaining, 210.515625 MB of memory in use. ENERGY: 3293200 755.9807 2060.2464 1926.6269 107.9377 -206154.2929 17725.4742 0.0000 0.0000 34139.6143 -149438.4126 298.1497 -183578.0269 -149345.0450 298.3620 -78.3251 -48.3268 557303.7202 13.4057 13.4281 PRESSURE: 3293400 -142.968 -40.8234 -86.8253 -40.8238 -87.7389 -39.4716 -86.8273 -39.4717 65.1227 GPRESSURE: 3293400 -141.562 -34.9137 -103.819 -100.567 -64.9238 -90.0103 0.319635 -74.9459 136.134 PRESSAVG: 3293400 30.0916 -7.29426 -39.1414 -7.29426 34.4201 -17.5477 -39.1414 -17.5475 -66.0791 GPRESSAVG: 3293400 29.5621 -9.36189 -41.658 -7.53047 33.7532 -17.4422 -38.729 -18.1579 -64.8665 TIMING: 3293400 CPU: 9916.44, 0.00294262/step Wall: 9916.44, 0.00294262/step, 1.39497 hours remaining, 210.515625 MB of memory in use. ENERGY: 3293400 755.5887 2136.2766 1951.6361 125.1185 -206279.4595 17794.4343 0.0000 0.0000 33976.7998 -149539.6055 296.7278 -183516.4053 -149449.7185 298.6206 -55.1948 -23.4507 556866.1504 -0.5225 -0.5171 PRESSURE: 3293600 -438.445 -111.497 72.2663 -111.496 -35.2668 50.2779 72.2655 50.2776 -389.324 GPRESSURE: 3293600 -401.601 -139.016 82.2635 -142.068 10.2531 163.911 145.701 47.633 -370.151 PRESSAVG: 3293600 74.2149 -29.9604 -20.9439 -29.9604 -20.2672 0.818879 -20.944 0.818896 -28.0967 GPRESSAVG: 3293600 75.7276 -29.4259 -20.5302 -28.6902 -19.5353 0.937545 -21.3076 3.64407 -29.9064 TIMING: 3293600 CPU: 9917.04, 0.00298966/step Wall: 9917.04, 0.00298966/step, 1.4171 hours remaining, 210.515625 MB of memory in use. ENERGY: 3293600 764.6459 2104.9928 1932.2483 118.5320 -206058.7242 17457.0166 0.0000 0.0000 34089.4674 -149591.8211 297.7118 -183681.2885 -149500.7043 298.3672 -287.6786 -253.8330 556961.4802 8.6170 8.7620 PRESSURE: 3293800 -5.67793 135.316 82.6951 135.316 -229.423 -26.1227 82.695 -26.124 -79.7682 GPRESSURE: 3293800 20.2997 147.801 67.9564 122.069 -203.361 -42.7799 55.4639 67.3562 -46.1411 PRESSAVG: 3293800 -69.456 15.7177 12.2198 15.7176 22.4009 8.58924 12.2198 8.58924 12.8063 GPRESSAVG: 3293800 -68.9235 15.9857 14.846 15.7657 20.7599 7.68299 9.01559 6.89262 13.9831 TIMING: 3293800 CPU: 9917.64, 0.00299779/step Wall: 9917.64, 0.00299779/step, 1.42079 hours remaining, 210.515625 MB of memory in use. ENERGY: 3293800 745.5749 2163.2155 1938.8594 113.6955 -206260.6211 17690.2084 0.0000 0.0000 34132.5153 -149476.5522 298.0877 -183609.0674 -149376.9165 298.5998 -104.9564 -76.4009 556239.1607 -11.4162 -11.3935 PRESSURE: 3294000 -29.8348 96.5453 -48.6778 96.5456 -282.053 -212.768 -48.679 -212.769 -69.2143 GPRESSURE: 3294000 -6.09858 132.27 27.0586 12.391 -236.261 -210.071 -55.9389 -179.59 -36.084 PRESSAVG: 3294000 -41.6463 -60.4888 -40.4128 -60.4887 57.4847 -15.3769 -40.4127 -15.3768 -34.6322 GPRESSAVG: 3294000 -42.1831 -60.8002 -39.4743 -60.1033 58.568 -16.2075 -38.7076 -14.3835 -35.4156 TIMING: 3294000 CPU: 9918.23, 0.00297136/step Wall: 9918.23, 0.00297136/step, 1.4081 hours remaining, 210.515625 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: 3294000 786.7524 2104.5520 1917.3307 117.1280 -206400.0126 17788.3966 0.0000 0.0000 34192.7496 -149493.1035 298.6138 -183685.8530 -149396.8492 299.0486 -127.0341 -92.8144 559148.4811 -6.2646 -6.3436 PRESSURE: 3294200 -111.172 110.644 60.4323 110.643 -285.583 -117.08 60.4307 -117.08 -166.866 GPRESSURE: 3294200 -85.7302 22.0923 47.8786 88.6393 -263.669 -50.1361 44.3825 -189.326 -114.007 PRESSAVG: 3294200 28.6986 6.45098 -30.7942 6.45105 15.0475 39.3282 -30.7943 39.3282 -28.625 GPRESSAVG: 3294200 28.8255 8.56982 -32.5219 4.83232 14.3864 39.6346 -30.2606 38.1564 -28.5879 TIMING: 3294200 CPU: 9918.84, 0.00303472/step Wall: 9918.84, 0.00303472/step, 1.43795 hours remaining, 210.515625 MB of memory in use. ENERGY: 3294200 742.3264 2117.9735 1957.0313 128.7879 -206082.5508 17542.8592 0.0000 0.0000 34148.6666 -149444.9058 298.2288 -183593.5724 -149345.6561 298.4281 -187.8738 -154.4688 558109.7872 5.0404 4.8747 PRESSURE: 3294400 58.9223 188.831 -9.83964 188.83 -276.673 81.2795 -9.83883 81.2799 -321.271 GPRESSURE: 3294400 38.5995 241.68 96.0655 191.299 -231.205 45.3139 -5.05826 26.8507 -245.405 PRESSAVG: 3294400 -11.013 28.1302 -19.6597 28.1302 20.0837 36.8357 -19.6596 36.8356 -40.6899 GPRESSAVG: 3294400 -10.5792 26.6089 -18.9105 28.3515 18.5926 38.0461 -21.3451 35.5506 -39.651 TIMING: 3294400 CPU: 9919.44, 0.00301628/step Wall: 9919.44, 0.00301628/step, 1.42905 hours remaining, 210.515625 MB of memory in use. ENERGY: 3294400 729.1890 2152.2650 1953.3331 111.1705 -206064.8547 17628.7021 0.0000 0.0000 34230.7657 -149259.4293 298.9458 -183490.1950 -149162.4741 299.4377 -179.6738 -146.0032 558450.6791 -10.5398 -10.5458 PRESSURE: 3294600 92.2293 42.8346 99.6656 42.8342 38.5847 -91.9384 99.6659 -91.9372 3.26376 GPRESSURE: 3294600 117.144 22.7628 25.4309 29.9577 129.158 -21.5947 187.077 -128.808 -15.551 PRESSAVG: 3294600 75.7558 32.4503 64.0822 32.4504 -43.5767 -26.9496 64.0822 -26.9497 44.1322 GPRESSAVG: 3294600 74.8096 34.0785 64.1356 33.8674 -42.1099 -25.4982 64.9033 -25.8515 43.4998 TIMING: 3294600 CPU: 9920.04, 0.00301343/step Wall: 9920.04, 0.00301343/step, 1.42753 hours remaining, 210.515625 MB of memory in use. ENERGY: 3294600 749.8149 2121.0043 1948.4764 110.0416 -206270.8495 17865.3098 0.0000 0.0000 34144.2444 -149331.9580 298.1902 -183476.2025 -149234.3516 298.4831 44.6926 76.9171 556127.8323 25.4371 25.3998 PRESSURE: 3294800 -133.5 52.5718 53.0574 52.573 77.3995 238.6 53.0565 238.601 367.145 GPRESSURE: 3294800 -129.113 46.0298 45.3141 -1.23148 147.826 239.256 30.9158 164.405 394.062 PRESSAVG: 3294800 17.7915 8.57884 -23.3632 8.57872 -31.3755 24.4015 -23.3633 24.4014 50.843 GPRESSAVG: 3294800 17.3636 7.61702 -23.4694 6.49758 -31.3805 22.4774 -23.8412 24.8422 51.7218 TIMING: 3294800 CPU: 9920.64, 0.00297246/step Wall: 9920.64, 0.00297246/step, 1.40796 hours remaining, 210.515625 MB of memory in use. ENERGY: 3294800 747.3197 2099.0543 1915.9577 104.8447 -206462.2890 17967.4646 0.0000 0.0000 34193.0992 -149434.5488 298.6168 -183627.6480 -149338.2381 298.9048 103.6816 137.5918 555699.8583 12.4197 12.5683 PRESSURE: 3295000 -121.447 47.2897 -88.6893 47.29 -165.458 61.8495 -88.6873 61.8502 -201.602 GPRESSURE: 3295000 -79.3365 62.7718 -65.7111 54.5685 -140.333 76.1382 -106.277 58.2474 -168.424 PRESSAVG: 3295000 -27.7778 58.3289 32.0095 58.3289 -0.515392 32.9566 32.0095 32.9566 76.4559 GPRESSAVG: 3295000 -26.9681 58.5705 30.5799 57.7052 -1.23506 34.0611 33.4146 32.6483 76.0078 TIMING: 3295000 CPU: 9921.24, 0.00299691/step Wall: 9921.24, 0.00299691/step, 1.41937 hours remaining, 210.515625 MB of memory in use. ENERGY: 3295000 763.3153 2073.8391 1915.6066 122.6234 -206269.8831 17626.7922 0.0000 0.0000 34117.9644 -149649.7421 297.9607 -183767.7065 -149556.2336 298.9203 -162.8358 -129.3646 556361.5493 16.0542 15.9349 PRESSURE: 3295200 -49.7583 168.074 54.3776 168.074 -51.387 -128.885 54.3768 -128.885 -43.398 GPRESSURE: 3295200 -23.0251 125.646 -6.98286 234.914 12.2551 -89.9094 87.8135 -109.982 -39.0587 PRESSAVG: 3295200 -17.2323 2.09224 -23.8397 2.09223 -31.837 4.79538 -23.8396 4.79538 48.2798 GPRESSAVG: 3295200 -16.6268 1.7655 -24.7754 1.85834 -31.0666 3.29725 -24.0988 7.11688 46.9106 TIMING: 3295200 CPU: 9921.84, 0.00300761/step Wall: 9921.84, 0.00300761/step, 1.42427 hours remaining, 210.515625 MB of memory in use. ENERGY: 3295200 789.7355 2090.7261 1918.4175 108.1410 -206403.9061 17822.6440 0.0000 0.0000 34142.7143 -149531.5277 298.1768 -183674.2420 -149441.0371 298.3146 -48.1811 -16.6095 556944.4515 -0.2631 -0.2609 PRESSURE: 3295400 33.7317 18.3321 -89.9726 18.3322 -67.1576 -129.815 -89.9721 -129.817 -123.867 GPRESSURE: 3295400 46.6085 97.2779 -94.6271 -106.397 -34.4662 -187.654 -156.288 -138.257 -72.8333 PRESSAVG: 3295400 -10.016 32.2982 9.53534 32.2982 -36.1278 9.44669 9.53528 9.44661 34.8446 GPRESSAVG: 3295400 -10.8447 31.8118 10.6171 33.4439 -35.3486 9.23077 9.31061 7.0347 35.5139 TIMING: 3295400 CPU: 9922.44, 0.00298941/step Wall: 9922.44, 0.00298941/step, 1.41549 hours remaining, 210.515625 MB of memory in use. ENERGY: 3295400 757.8265 2098.7666 1918.3091 107.4174 -206447.7966 17797.1244 0.0000 0.0000 34345.0300 -149423.3226 299.9437 -183768.3526 -149321.4863 298.6157 -52.4310 -20.2303 556646.3391 -3.7664 -3.5598 PRESSURE: 3295600 -41.0827 -124.78 -164.612 -124.78 -7.72316 -32.1123 -164.614 -32.1124 -61.8792 GPRESSURE: 3295600 -2.43808 -135.077 -153.672 -180.476 -28.6973 -10.3738 -152.339 -63.1715 21.9428 PRESSAVG: 3295600 81.0279 -28.5632 -8.09099 -28.5632 -6.06857 18.0314 -8.09093 18.0313 -27.0268 GPRESSAVG: 3295600 81.4935 -28.4434 -6.02393 -27.8547 -7.23262 19.1391 -8.47776 19.0573 -26.0086 TIMING: 3295600 CPU: 9923.04, 0.00299811/step Wall: 9923.04, 0.00299811/step, 1.41944 hours remaining, 210.515625 MB of memory in use. ENERGY: 3295600 756.0978 2117.2446 1956.9659 107.6354 -206376.8505 17859.5785 0.0000 0.0000 34064.2011 -149515.1273 297.4911 -183579.3284 -149421.2646 299.0304 -36.8950 -3.0642 558131.3865 15.9775 16.0841 PRESSURE: 3295800 -14.0085 39.8476 173.92 39.8469 -46.1168 -61.7114 173.922 -61.7109 -158.627 GPRESSURE: 3295800 13.1716 7.64024 116.975 72.6281 -34.2466 -142.874 102.095 -95.8213 -95.4251 PRESSAVG: 3295800 47.4582 -18.851 6.45001 -18.8511 -68.4412 19.5215 6.45017 19.5215 45.5579 GPRESSAVG: 3295800 47.428 -17.7669 5.5694 -18.5246 -68.2064 20.4459 6.92738 20.6082 45.1585 TIMING: 3295800 CPU: 9923.64, 0.00300042/step Wall: 9923.64, 0.00300042/step, 1.42036 hours remaining, 210.515625 MB of memory in use. ENERGY: 3295800 684.7305 2107.5659 1950.2618 122.5113 -205939.3770 17592.0258 0.0000 0.0000 33968.1903 -149514.0915 296.6527 -183482.2818 -149422.4760 297.9378 -72.9174 -38.8334 557513.2170 8.1916 8.1267 PRESSURE: 3296000 156.089 -48.7953 -47.5345 -48.7941 9.71726 -3.45707 -47.5352 -3.45818 188.87 GPRESSURE: 3296000 227.335 -85.8293 1.6077 -7.93609 54.3271 53.5094 -63.3054 -17.1153 173.567 PRESSAVG: 3296000 -19.0594 -30.8076 16.2561 -30.8075 -27.2226 38.0125 16.2561 38.0124 57.1086 GPRESSAVG: 3296000 -19.6501 -32.3659 17.0138 -32.3112 -26.0739 37.2891 16.3989 36.452 57.0316 TIMING: 3296000 CPU: 9924.24, 0.0029999/step Wall: 9924.24, 0.0029999/step, 1.41995 hours remaining, 210.515625 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: 3296000 715.2020 2106.5220 1957.2706 114.8360 -206637.6741 18099.4404 0.0000 0.0000 34357.9232 -149286.4800 300.0563 -183644.4032 -149194.0432 298.9144 118.2254 151.7429 558042.0313 3.6089 3.7692 PRESSURE: 3296200 68.6684 122.633 -72.4009 122.633 0.0899207 -132.686 -72.401 -132.685 -57.7005 GPRESSURE: 3296200 54.444 103.486 -95.0548 107.268 47.9111 -35.8072 -89.7659 -163.173 4.15876 PRESSAVG: 3296200 22.4059 -30.2609 30.0532 -30.2609 23.9052 49.2827 30.0534 49.2829 -26.9742 GPRESSAVG: 3296200 22.4425 -28.334 31.3155 -28.6247 24.3872 48.7367 29.4442 50.9324 -27.5528 TIMING: 3296200 CPU: 9924.83, 0.00298499/step Wall: 9924.83, 0.00298499/step, 1.41273 hours remaining, 210.515625 MB of memory in use. ENERGY: 3296200 714.8246 2126.7085 1936.7300 99.1763 -206445.2297 17764.5716 0.0000 0.0000 34553.4544 -149249.7644 301.7639 -183803.2187 -149151.7930 299.3462 3.6859 35.5046 556843.0901 6.4456 6.4256 LDB: ============= START OF LOAD BALANCING ============== 9928.35 LDB: ============== END OF LOAD BALANCING =============== 9928.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9928.35 LDB: ============= START OF LOAD BALANCING ============== 9928.65 LDB: Largest compute 4802 load 0.029445 is 24.9% of average load 0.118136 LDB: Average compute 0.001738 is 1.5% of average load 0.118136 LDB: TIME 9928.65 LOAD: AVG 0.118136 MAX 0.208223 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.246 MB LDB: TIME 9928.65 LOAD: AVG 0.118136 MAX 0.208223 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.375 MB LDB: TIME 9928.65 LOAD: AVG 0.118136 MAX 0.208223 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.375 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9928.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9928.66 PRESSURE: 3296400 -104.26 114.2 188.886 114.199 4.38702 49.1775 188.886 49.178 -6.33955 GPRESSURE: 3296400 -52.0014 152.413 236.505 138.155 61.1366 -40.7081 152.009 126.432 -39.4174 PRESSAVG: 3296400 5.8357 16.1402 60.324 16.1402 -1.60999 52.5803 60.3239 52.5804 -13.6615 GPRESSAVG: 3296400 6.63761 14.9197 56.2889 15.1371 -3.58131 50.5006 61.8372 52.2425 -12.8486 TIMING: 3296400 CPU: 9925.44, 0.00305139/step Wall: 9925.44, 0.00305139/step, 1.44398 hours remaining, 207.406250 MB of memory in use. ENERGY: 3296400 744.1268 2073.6518 1937.2441 106.4005 -206237.5658 17658.6519 0.0000 0.0000 34284.3558 -149433.1349 299.4138 -183717.4907 -149336.7992 299.2832 -35.4041 -10.0941 557692.4376 -3.1453 -3.2641 PRESSURE: 3296600 -186.518 -16.2488 134.681 -16.248 -40.8552 122.453 134.681 122.453 37.6912 GPRESSURE: 3296600 -127.427 -14.38 63.653 -118.887 -15.0953 176.771 147.981 118.236 52.0447 PRESSAVG: 3296600 -41.2114 -37.8174 18.6776 -37.8174 59.2585 69.9137 18.6777 69.9138 -22.1701 GPRESSAVG: 3296600 -40.7066 -38.278 20.8913 -38.905 59.1708 72.3851 17.4081 68.4067 -22.6102 TIMING: 3296600 CPU: 9926.05, 0.00303737/step Wall: 9926.05, 0.00303737/step, 1.43718 hours remaining, 207.406250 MB of memory in use. ENERGY: 3296600 736.4107 1988.6316 1943.6627 100.6980 -206287.7289 17757.9020 0.0000 0.0000 34259.3485 -149501.0755 299.1954 -183760.4240 -149410.5795 299.2889 -63.2274 -30.1593 557252.6419 -1.3743 -1.3820 PRESSURE: 3296800 106.351 -134.458 -152.769 -134.458 111.558 -167.916 -152.769 -167.915 -165.66 GPRESSURE: 3296800 142.021 -79.7624 -112.359 -66.8906 108.581 -114.919 -242.194 -228.624 -98.5329 PRESSAVG: 3296800 10.6125 15.6374 14.3714 15.6375 42.6085 -32.1342 14.3714 -32.1343 -40.0416 GPRESSAVG: 3296800 8.61476 17.2837 14.4834 16.2117 43.0851 -32.2831 15.6158 -33.0577 -39.4119 TIMING: 3296800 CPU: 9926.66, 0.00303766/step Wall: 9926.66, 0.00303766/step, 1.43715 hours remaining, 207.406250 MB of memory in use. ENERGY: 3296800 712.1474 2045.7181 1924.9119 114.3332 -206341.3938 17847.1928 0.0000 0.0000 34225.3507 -149471.7398 298.8985 -183697.0905 -149372.7214 299.0583 17.4165 50.6898 557486.0810 4.3931 4.0960 PRESSURE: 3297000 138.136 47.9941 -67.6041 47.9934 324.749 185.16 -67.6036 185.16 -7.29986 GPRESSURE: 3297000 197.057 10.9716 -85.9057 30.8358 306.587 263.276 -60.7016 81.4061 39.1678 PRESSAVG: 3297000 -3.23437 30.477 -40.4081 30.4769 -29.6058 57.0248 -40.4081 57.0249 1.95344 GPRESSAVG: 3297000 -1.70185 29.0062 -39.118 31.3314 -29.9124 55.9377 -41.5436 57.1955 0.496285 TIMING: 3297000 CPU: 9927.27, 0.00303911/step Wall: 9927.27, 0.00303911/step, 1.43767 hours remaining, 207.406250 MB of memory in use. ENERGY: 3297000 715.6071 2016.2207 1919.0730 117.0548 -206627.4118 18025.6140 0.0000 0.0000 34269.0206 -149564.8218 299.2799 -183833.8423 -149470.7011 297.9217 151.8618 180.9372 556958.1683 -10.2956 -10.3726 PRESSURE: 3297200 -293.2 157.277 11.5628 157.277 -16.4906 120.785 11.5622 120.786 -29.9918 GPRESSURE: 3297200 -249.926 134.41 -12.3848 181.046 32.2061 94.7691 17.2542 135.577 -32.3434 PRESSAVG: 3297200 27.7475 1.06971 -32.073 1.06976 -7.94143 31.0642 -32.0729 31.0641 -17.0568 GPRESSAVG: 3297200 27.8675 2.37997 -34.2555 1.02868 -7.8926 29.0595 -31.1603 31.5952 -16.6964 TIMING: 3297200 CPU: 9927.86, 0.00298907/step Wall: 9927.86, 0.00298907/step, 1.41383 hours remaining, 207.406250 MB of memory in use. ENERGY: 3297200 780.9097 2046.1875 1946.4685 96.5481 -206216.4814 17723.7053 0.0000 0.0000 34263.1492 -149359.5130 299.2286 -183622.6623 -149253.1605 298.0919 -113.2276 -83.3545 558679.1568 0.9164 1.0928 PRESSURE: 3297400 -40.8557 -88.3411 -97.3916 -88.3433 -232.215 -30.2062 -97.3924 -30.2047 109.691 GPRESSURE: 3297400 -39.5982 -28.8888 6.73055 -45.9376 -167.594 -117.974 -112.486 46.4015 149.334 PRESSAVG: 3297400 -24.9233 -14.9431 3.337 -14.9432 26.7992 20.9971 3.337 20.9971 37.1246 GPRESSAVG: 3297400 -26.1965 -16.6391 4.83169 -12.3002 26.5632 22.2255 3.92187 23.0898 38.925 TIMING: 3297400 CPU: 9928.46, 0.00300588/step Wall: 9928.46, 0.00300588/step, 1.42161 hours remaining, 207.406250 MB of memory in use. ENERGY: 3297400 750.3494 2102.7836 1907.3473 104.2401 -206402.8497 17729.0466 0.0000 0.0000 34422.0467 -149387.0360 300.6163 -183809.0828 -149286.0024 298.8748 -54.4598 -19.2861 557477.0351 13.0002 13.0972 PRESSURE: 3297600 251.918 -47.7037 -92.4589 -47.7027 9.93226 -20.3735 -92.4585 -20.3723 -18.549 GPRESSURE: 3297600 325.628 -13.2644 19.4125 -68.0988 28.3864 -3.39977 -129.056 -67.6923 -18.1659 PRESSAVG: 3297600 12.5797 25.7759 6.83739 25.7759 -29.38 -90.1256 6.83737 -90.1256 -26.1385 GPRESSAVG: 3297600 12.5488 25.0904 5.37611 23.9303 -29.2052 -89.2486 6.03184 -92.0832 -26.7485 TIMING: 3297600 CPU: 9929.06, 0.00299016/step Wall: 9929.06, 0.00299016/step, 1.41401 hours remaining, 207.496094 MB of memory in use. ENERGY: 3297600 781.9028 2074.8742 1940.1601 117.6633 -206468.0394 18092.2593 0.0000 0.0000 34290.7961 -149170.3836 299.4701 -183461.1797 -149076.8044 299.2485 81.1005 111.9494 556564.3852 -14.3129 -14.4683 PRESSURE: 3297800 73.3014 81.0913 -87.416 81.0916 -76.1891 82.9957 -87.4167 82.9959 -132.877 GPRESSURE: 3297800 51.5073 7.86074 -88.9726 123.811 12.1102 126.108 -28.4467 92.3984 -104.599 PRESSAVG: 3297800 30.4722 -28.3181 -23.7411 -28.3181 -53.9306 -22.0442 -23.741 -22.0441 37.5713 GPRESSAVG: 3297800 31.1966 -26.1748 -22.5313 -29.4059 -53.999 -21.0438 -21.7484 -21.906 37.421 TIMING: 3297800 CPU: 9929.65, 0.00295695/step Wall: 9929.65, 0.00295695/step, 1.39814 hours remaining, 207.496094 MB of memory in use. ENERGY: 3297800 783.1741 2044.2897 1948.2670 112.4333 -206149.3105 17786.0361 0.0000 0.0000 34090.7250 -149384.3852 297.7228 -183475.1102 -149295.1582 298.4784 -45.2549 -13.6605 556833.1093 4.7043 4.8728 PRESSURE: 3298000 -15.8992 -63.8613 2.73379 -63.8622 -229.325 -103.487 2.73328 -103.488 -224.334 GPRESSURE: 3298000 34.2874 -47.3816 -113.098 -46.2677 -150.674 -69.3808 4.2092 -114.718 -241.636 PRESSAVG: 3298000 43.3354 43.5254 -21.228 43.5254 -8.90773 -5.93548 -21.228 -5.93549 -38.8325 GPRESSAVG: 3298000 42.5929 42.1874 -22.6195 44.9658 -8.52066 -6.82725 -23.5305 -3.85785 -38.8714 TIMING: 3298000 CPU: 9930.25, 0.00296195/step Wall: 9930.25, 0.00296195/step, 1.40035 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: 3298000 725.5515 2078.6566 1929.2451 101.0787 -206237.1460 17663.8367 0.0000 0.0000 34257.9451 -149480.8323 299.1832 -183738.7775 -149390.2214 298.6695 -156.5195 -119.3410 557685.5782 -1.4683 -1.5997 PRESSURE: 3298200 -88.1585 -202.711 -51.6518 -202.711 -121.96 -61.8574 -51.6521 -61.8598 156.562 GPRESSURE: 3298200 -52.2378 -106.191 -5.13126 -134.009 -89.8304 -30.7181 -110.496 -135.283 192.007 PRESSAVG: 3298200 -22.3667 -2.05253 -20.6142 -2.05255 -17.8994 -25.6499 -20.6142 -25.6499 21.5186 GPRESSAVG: 3298200 -21.0485 -0.750075 -19.6185 -3.01159 -18.5078 -24.306 -19.7572 -28.5194 21.0688 TIMING: 3298200 CPU: 9930.84, 0.00298745/step Wall: 9930.84, 0.00298745/step, 1.41223 hours remaining, 207.496094 MB of memory in use. ENERGY: 3298200 712.9613 2063.2039 1926.4361 95.8907 -206261.0005 17853.6330 0.0000 0.0000 34098.8291 -149510.0464 297.7936 -183608.8755 -149408.6306 298.6922 -17.8522 16.6461 557491.7915 -6.2492 -6.1625 PRESSURE: 3298400 -122.597 -103.025 -57.9045 -103.025 -236.199 -58.3567 -57.9051 -58.3579 -35.4136 GPRESSURE: 3298400 -130.571 -139.71 -59.1465 -26.7862 -117.287 -112.44 -89.129 -6.014 -52.7003 PRESSAVG: 3298400 15.4993 1.14857 42.8279 1.14854 42.5503 16.0064 42.828 16.0065 -30.1778 GPRESSAVG: 3298400 15.0271 0.91391 42.2421 -0.337791 42.2747 15.8946 42.5833 16.6786 -29.4087 TIMING: 3298400 CPU: 9931.44, 0.00298098/step Wall: 9931.44, 0.00298098/step, 1.40901 hours remaining, 207.496094 MB of memory in use. ENERGY: 3298400 770.6801 2061.8891 1929.5008 97.2249 -206249.5097 17816.9256 0.0000 0.0000 34109.6805 -149463.6087 297.8883 -183573.2892 -149374.6975 298.3857 -131.4032 -100.1862 556849.3693 9.2906 9.2977 PRESSURE: 3298600 -345.71 87.4029 -64.64 87.4017 -90.7901 143.135 -64.6405 143.133 51.4601 GPRESSURE: 3298600 -254.119 81.4558 -84.4748 83.9887 -86.2434 112.487 -91.6514 54.9541 43.3887 PRESSAVG: 3298600 22.2898 11.2257 -27.1769 11.2257 -58.0008 65.1182 -27.1768 65.1183 18.3338 GPRESSAVG: 3298600 22.4646 10.0018 -27.5491 13.621 -57.4316 66.7453 -26.7862 64.6421 17.7636 TIMING: 3298600 CPU: 9932.04, 0.00298432/step Wall: 9932.04, 0.00298432/step, 1.41042 hours remaining, 207.496094 MB of memory in use. ENERGY: 3298600 735.3600 2082.4544 1918.8386 108.3315 -206270.1578 17813.3751 0.0000 0.0000 34195.2345 -149416.5637 298.6355 -183611.7982 -149322.0023 298.9440 -128.3468 -98.9911 558517.7801 -5.7924 -5.7344 PRESSURE: 3298800 -398.529 -73.4653 81.2902 -73.465 -139.221 -0.736158 81.289 -0.7358 32.7659 GPRESSURE: 3298800 -353.947 -77.9495 132.923 42.6333 -91.8749 89.0925 92.1427 5.65661 27.2966 PRESSAVG: 3298800 -35.5881 -54.8202 -53.9408 -54.8202 10.039 -37.6082 -53.9408 -37.6082 26.4791 GPRESSAVG: 3298800 -35.2399 -53.3904 -53.1986 -57.7356 10.6347 -39.3014 -54.8179 -36.9266 25.6972 TIMING: 3298800 CPU: 9932.63, 0.00298804/step Wall: 9932.63, 0.00298804/step, 1.41201 hours remaining, 207.496094 MB of memory in use. ENERGY: 3298800 727.9540 2072.3292 1937.6524 105.3222 -206115.6553 17534.7146 0.0000 0.0000 34234.9696 -149502.7132 298.9825 -183737.6828 -149410.6142 297.8295 -168.3280 -139.5084 557479.4332 0.3100 0.3640 PRESSURE: 3299000 -132.658 67.7277 -88.8663 67.7287 -332.564 10.3835 -88.8673 10.3839 -268.898 GPRESSURE: 3299000 -132.654 102.962 -39.4999 34.0083 -274.306 75.5182 -160.946 -43.0073 -235.476 PRESSAVG: 3299000 -20.9709 28.6997 -25.6469 28.6998 -3.6942 -14.7959 -25.6469 -14.7957 21.287 GPRESSAVG: 3299000 -22.9338 28.7249 -25.1702 28.3846 -3.92992 -13.8616 -26.5117 -14.8146 23.1838 TIMING: 3299000 CPU: 9933.23, 0.0029672/step Wall: 9933.23, 0.0029672/step, 1.402 hours remaining, 207.496094 MB of memory in use. ENERGY: 3299000 757.7726 2059.8027 1925.4615 101.4805 -206072.5094 17642.7132 0.0000 0.0000 34285.6292 -149299.6497 299.4249 -183585.2789 -149205.8888 298.2618 -244.7068 -214.1453 558130.7084 -1.1260 -1.2267 PRESSURE: 3299200 84.981 -58.2177 54.1916 -58.2168 209.637 -99.2759 54.1916 -99.2768 100.614 GPRESSURE: 3299200 136.365 -69.0659 87.4954 -38.6285 247.656 -84.5492 -19.8875 -6.41844 107.901 PRESSAVG: 3299200 -11.8592 42.4448 -11.4147 42.4448 -8.79108 -1.93195 -11.4146 -1.93183 48.3572 GPRESSAVG: 3299200 -10.4176 40.7122 -11.31 46.4456 -9.94687 -2.29992 -10.592 -1.73488 48.0836 TIMING: 3299200 CPU: 9933.82, 0.00296286/step Wall: 9933.82, 0.00296286/step, 1.39979 hours remaining, 207.496094 MB of memory in use. ENERGY: 3299200 730.0807 2084.2610 1934.4699 92.2588 -206451.2419 17964.3396 0.0000 0.0000 34192.9818 -149452.8501 298.6158 -183645.8319 -149361.5114 298.5600 131.7439 163.9742 556748.2539 9.2356 9.2397 PRESSURE: 3299400 237.449 177.686 18.1261 177.687 302.425 128.79 18.1271 128.791 115.842 GPRESSURE: 3299400 248.623 150.729 43.798 103.016 402.43 155.31 13.2835 83.4213 95.3711 PRESSAVG: 3299400 17.822 25.7594 -9.71778 25.7594 43.6142 28.0007 -9.71765 28.0007 -60.172 GPRESSAVG: 3299400 18.1849 27.9242 -10.0814 22.4164 44.0158 28.8175 -10.2185 26.5434 -60.378 TIMING: 3299400 CPU: 9934.42, 0.00300777/step Wall: 9934.42, 0.00300777/step, 1.42084 hours remaining, 207.496094 MB of memory in use. ENERGY: 3299400 727.3321 2103.9675 1941.0600 119.1831 -206596.6708 18217.7137 0.0000 0.0000 34089.6331 -149397.7814 297.7132 -183487.4145 -149298.9261 298.6743 218.5719 248.8080 558279.2246 0.4214 0.6076 PRESSURE: 3299600 -67.6539 47.8302 4.42816 47.8299 -121.859 6.74617 4.42885 6.74541 136.613 GPRESSURE: 3299600 -27.0888 22.514 -26.6267 110.082 -100.305 46.8408 0.964365 13.815 170.844 PRESSAVG: 3299600 4.05876 -8.94148 51.4321 -8.94159 -12.8493 -3.56166 51.4321 -3.56153 -0.148312 GPRESSAVG: 3299600 4.04195 -9.56278 50.8767 -8.68018 -10.8381 -4.1548 51.6426 -3.04868 -1.97291 TIMING: 3299600 CPU: 9935.02, 0.00298719/step Wall: 9935.02, 0.00298719/step, 1.41095 hours remaining, 207.496094 MB of memory in use. ENERGY: 3299600 727.9964 2052.7996 1923.0061 108.8450 -206407.7212 17966.2530 0.0000 0.0000 34261.2243 -149367.5969 299.2118 -183628.8212 -149270.5733 298.5225 -17.6333 14.4833 557462.8660 -2.9796 -2.9230 PRESSURE: 3299800 -52.6953 -35.0668 -90.275 -35.0664 -98.6531 42.4658 -90.2753 42.4659 26.8398 GPRESSURE: 3299800 -16.3898 -73.9834 13.5573 -77.2155 -80.9312 145.561 -61.9112 -46.4262 77.4496 PRESSAVG: 3299800 -2.02703 -20.4556 -43.9387 -20.4557 58.2808 12.3367 -43.9388 12.3366 -18.8719 GPRESSAVG: 3299800 -1.61719 -21.1381 -42.3975 -20.648 57.1294 12.1919 -42.8242 13.2377 -17.8076 TIMING: 3299800 CPU: 9935.62, 0.00301626/step Wall: 9935.62, 0.00301626/step, 1.42451 hours remaining, 207.496094 MB of memory in use. ENERGY: 3299800 721.2176 2081.2310 1921.0154 94.8197 -206197.0324 17825.3000 0.0000 0.0000 34339.6657 -149213.7829 299.8968 -183553.4486 -149117.3261 299.4120 -41.5028 -6.6238 558960.1871 12.4606 12.5682 PRESSURE: 3300000 -103.648 106.233 -130.054 106.232 254.442 52.3879 -130.053 52.3892 -67.7817 GPRESSURE: 3300000 -27.7846 126.707 -166.517 -6.36896 255.814 26.8835 -76.9028 -57.2011 -32.6456 PRESSAVG: 3300000 -50.685 50.6602 -25.7428 50.6602 43.9283 59.9723 -25.7427 59.9722 44.2761 GPRESSAVG: 3300000 -50.5485 48.4792 -23.9391 54.0188 44.4318 60.373 -27.9595 57.5073 43.5215 TIMING: 3300000 CPU: 9936.22, 0.0029753/step Wall: 9936.22, 0.0029753/step, 1.405 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: 3300000 747.1122 2073.5713 1932.3548 121.4277 -206342.6651 17980.1000 0.0000 0.0000 34247.3800 -149240.7190 299.0909 -183488.0990 -149136.9567 299.4088 27.6709 65.1280 557853.3839 12.5065 12.4683 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3300000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 3300000 WRITING COORDINATES TO RESTART FILE AT STEP 3300000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3300000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3300200 -97.9792 -47.7747 58.677 -47.7753 -50.4457 -0.474989 58.6769 -0.474261 100.363 GPRESSURE: 3300200 -56.6288 -83.4466 149.725 28.1132 -12.137 -24.8488 33.9074 54.135 119.756 PRESSAVG: 3300200 -51.8606 22.347 6.19999 22.347 102.28 -0.106934 6.1999 -0.106965 -56.2071 GPRESSAVG: 3300200 -52.7034 23.3376 2.79447 20.4877 102.311 -1.56764 8.52165 3.38496 -55.4216 TIMING: 3300200 CPU: 9936.83, 0.0030672/step Wall: 9936.83, 0.0030672/step, 1.44823 hours remaining, 207.496094 MB of memory in use. ENERGY: 3300200 771.9090 2096.3579 1929.9518 111.1304 -206060.5289 17725.1312 0.0000 0.0000 34198.5459 -149227.5027 298.6644 -183426.0486 -149129.9172 298.7321 -16.0208 16.9969 557982.2723 -1.9293 -1.9379 LDB: ============= START OF LOAD BALANCING ============== 9940.35 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9940.35 LDB: =============== DONE WITH MIGRATION ================ 9940.35 LDB: ============= START OF LOAD BALANCING ============== 9940.64 LDB: Largest compute 4802 load 0.028865 is 24.4% of average load 0.118131 LDB: Average compute 0.001736 is 1.5% of average load 0.118131 LDB: TIME 9940.65 LOAD: AVG 0.118131 MAX 0.205745 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.906 MB LDB: TIME 9940.65 LOAD: AVG 0.118131 MAX 0.205745 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.109 MB LDB: TIME 9940.65 LOAD: AVG 0.118131 MAX 0.205745 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.109 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9940.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9940.65 PRESSURE: 3300400 350.544 74.7195 -123.084 74.7198 75.6951 145.704 -123.084 145.705 85.7194 GPRESSURE: 3300400 355.983 70.4719 -62.6787 89.7917 84.6973 155.795 -75.6571 145.528 157.799 PRESSAVG: 3300400 -5.87121 39.9373 10.9653 39.9372 53.2657 -9.94851 10.9653 -9.94842 -24.5252 GPRESSAVG: 3300400 -5.06279 40.8537 12.1489 39.5738 52.9107 -9.83359 10.2614 -11.3919 -25.381 TIMING: 3300400 CPU: 9937.44, 0.00302228/step Wall: 9937.44, 0.00302228/step, 1.42685 hours remaining, 209.992188 MB of memory in use. ENERGY: 3300400 725.0569 2073.4830 1922.1987 118.6562 -206160.6069 18110.9067 0.0000 0.0000 34141.5399 -149068.7657 298.1666 -183210.3055 -148971.0394 298.6790 170.6527 199.4932 557686.5438 7.6231 7.4890 PRESSURE: 3300600 78.5711 -22.9602 -39.0622 -22.9604 -6.00152 -83.6784 -39.0626 -83.6785 -50.9506 GPRESSURE: 3300600 124.969 7.93778 -35.3762 69.314 65.5939 -94.1023 49.4716 -79.652 -57.8014 PRESSAVG: 3300600 -57.8366 7.13032 -39.3861 7.13027 60.1442 16.1493 -39.3862 16.1493 32.6608 GPRESSAVG: 3300600 -57.3013 7.40091 -37.3692 7.23333 60.2159 17.2698 -40.5778 13.8247 32.8198 TIMING: 3300600 CPU: 9938.03, 0.00296636/step Wall: 9938.03, 0.00296636/step, 1.40029 hours remaining, 210.042969 MB of memory in use. ENERGY: 3300600 757.0779 2061.1445 1928.1437 102.6375 -206068.2785 17912.9380 0.0000 0.0000 34321.3364 -148985.0005 299.7368 -183306.3369 -148885.1543 299.6009 7.2063 44.2537 556744.5170 11.6561 11.9115 PRESSURE: 3300800 -155.51 79.1861 12.2757 79.1871 -61.0049 -158.598 12.2761 -158.599 130.803 GPRESSURE: 3300800 -90.5069 53.4235 -56.1203 44.349 -32.3876 -102.115 54.4744 -105.355 124.348 PRESSAVG: 3300800 16.032 -2.98776 -5.02085 -2.98788 -52.6781 29.8184 -5.02078 29.8184 22.6078 GPRESSAVG: 3300800 14.7347 -3.70332 -6.57975 -2.52935 -53.0528 27.6937 -3.38821 31.4575 24.3905 TIMING: 3300800 CPU: 9938.63, 0.00298029/step Wall: 9938.63, 0.00298029/step, 1.4067 hours remaining, 210.042969 MB of memory in use. ENERGY: 3300800 715.9983 2051.7536 1921.8937 108.6251 -205533.2999 17570.4433 0.0000 0.0000 34214.0495 -148950.5364 298.7998 -183164.5860 -148857.2197 299.9814 -28.5704 0.4845 558444.1384 -4.6794 -4.6425 PRESSURE: 3301000 -58.2401 85.0607 22.261 85.0596 -74.5126 13.2915 22.26 13.2907 26.5296 GPRESSURE: 3301000 -46.7988 35.0025 120.156 83.5266 -7.19094 31.9402 83.7548 4.5407 54.4412 PRESSAVG: 3301000 -9.82306 14.965 -15.5852 14.965 -23.0845 15.0722 -15.5852 15.0723 35.4096 GPRESSAVG: 3301000 -9.24365 15.5338 -14.7826 13.8705 -22.8206 16.2582 -16.8392 15.0003 34.2697 TIMING: 3301000 CPU: 9939.22, 0.00297227/step Wall: 9939.22, 0.00297227/step, 1.40275 hours remaining, 210.042969 MB of memory in use. ENERGY: 3301000 728.0273 2017.4481 1974.2366 103.6644 -205815.0521 17689.6428 0.0000 0.0000 34289.9040 -149012.1288 299.4623 -183302.0328 -148915.7977 299.6647 -35.4077 0.1505 557811.3947 0.8340 0.7351 PRESSURE: 3301200 50.9294 -39.7847 136.272 -39.7838 247.542 66.0474 136.271 66.0488 126.461 GPRESSURE: 3301200 111.742 -37.6409 124.857 -90.1744 261.576 -28.5248 110.447 94.015 139.147 PRESSAVG: 3301200 -36.5882 -50.0746 2.57097 -50.0745 0.883331 58.8713 2.57091 58.8714 66.2606 GPRESSAVG: 3301200 -36.7081 -51.8346 1.76129 -49.7355 2.29133 58.5001 3.79863 59.3474 65.0505 TIMING: 3301200 CPU: 9939.81, 0.00296297/step Wall: 9939.81, 0.00296297/step, 1.39819 hours remaining, 210.042969 MB of memory in use. ENERGY: 3301200 723.7973 2095.7672 1931.9384 112.3067 -206213.8370 17971.5574 0.0000 0.0000 34216.6702 -149161.7998 298.8227 -183378.4700 -149062.5061 300.0394 141.6444 170.8217 556884.8910 10.1852 10.2113 PRESSURE: 3301400 -156.436 43.1026 86.0628 43.1024 -60.1862 -34.0832 86.0623 -34.083 36.1407 GPRESSURE: 3301400 -130.085 84.4578 114.387 26.3426 -27.8851 7.60069 97.7901 -26.0521 83.1173 PRESSAVG: 3301400 -29.3773 -11.2891 2.41645 -11.2892 19.6827 34.0398 2.41642 34.0398 -13.3458 GPRESSAVG: 3301400 -30.2963 -8.13818 3.23812 -9.92455 18.8069 33.4637 3.38975 34.2302 -11.5368 TIMING: 3301400 CPU: 9940.41, 0.00297833/step Wall: 9940.41, 0.00297833/step, 1.40527 hours remaining, 210.042969 MB of memory in use. ENERGY: 3301400 730.3287 2100.5740 1916.9897 97.9250 -205966.7528 17688.8924 0.0000 0.0000 34147.2043 -149284.8386 298.2160 -183432.0429 -149188.0304 298.4547 -60.1605 -24.9508 558017.0606 -7.6802 -7.6754 PRESSURE: 3301600 -104.056 -108.233 163.099 -108.233 -18.6557 -32.301 163.099 -32.3008 -120.021 GPRESSURE: 3301600 18.872 -53.2699 102.104 -103.69 -39.669 -8.38737 237.844 -25.2392 -109.045 PRESSAVG: 3301600 -7.33915 -15.0635 -12.5802 -15.0635 5.15424 56.7792 -12.5803 56.7793 -20.2102 GPRESSAVG: 3301600 -6.33652 -17.0301 -13.3569 -16.7956 4.98497 56.6834 -12.397 56.2231 -20.7511 TIMING: 3301600 CPU: 9941, 0.0029723/step Wall: 9941, 0.0029723/step, 1.40226 hours remaining, 210.042969 MB of memory in use. ENERGY: 3301600 738.5339 2063.6018 1942.7983 118.3633 -205982.1003 17556.6877 0.0000 0.0000 34118.3251 -149443.7901 297.9638 -183562.1153 -149349.8407 298.7395 -80.9108 -43.2808 556841.0121 -7.4650 -7.3676 PRESSURE: 3301800 16.0215 98.4296 -124.953 98.4297 79.2338 185.595 -124.954 185.597 84.8312 GPRESSURE: 3301800 79.6906 183.316 -157.613 53.6134 171.543 126.369 -95.9707 152.06 43.3204 PRESSAVG: 3301800 34.2339 37.4617 -36.8829 37.4617 8.99119 31.6732 -36.8828 31.6732 -47.8501 GPRESSAVG: 3301800 34.0042 38.8956 -38.8504 36.9923 10.4798 32.3482 -36.6523 33.2763 -49.1924 TIMING: 3301800 CPU: 9941.6, 0.00297289/step Wall: 9941.6, 0.00297289/step, 1.40238 hours remaining, 210.042969 MB of memory in use. ENERGY: 3301800 764.7565 2061.5045 1916.8665 109.3295 -206693.9130 18001.6199 0.0000 0.0000 34357.6020 -149482.2341 300.0535 -183839.8361 -149381.5905 298.3401 60.0288 98.1848 555289.7491 -1.5417 -1.5694 PRESSURE: 3302000 -27.7784 -34.8813 109.356 -34.8822 146.138 -36.5712 109.356 -36.5717 85.1237 GPRESSURE: 3302000 5.91209 -74.1119 34.0209 -71.2859 133.199 13.0951 167.698 -68.0796 167.992 PRESSAVG: 3302000 14.2846 28.8433 17.7784 28.8433 38.847 -0.241477 17.7784 -0.241463 -18.1469 GPRESSAVG: 3302000 14.2487 27.978 19.1637 28.3513 37.9045 -1.40054 16.4394 -2.0456 -17.1746 TIMING: 3302000 CPU: 9942.19, 0.00296428/step Wall: 9942.19, 0.00296428/step, 1.39815 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: 3302000 749.5198 2079.1236 1938.8319 108.9909 -206724.6475 18075.4563 0.0000 0.0000 34142.3343 -149630.3907 298.1735 -183772.7250 -149541.6362 298.0812 67.8278 102.3676 556254.1044 11.6616 11.6596 PRESSURE: 3302200 -204.38 -23.5622 -68.9533 -23.5608 130.556 27.24 -68.952 27.2393 -4.18413 GPRESSURE: 3302200 -166.769 -48.2032 -83.408 -41.384 148.148 23.5052 -52.1765 49.0424 43.4793 PRESSAVG: 3302200 -10.452 -5.67069 -14.7296 -5.67071 -39.9076 2.83584 -14.7296 2.8357 -0.363642 GPRESSAVG: 3302200 -10.6618 -5.56288 -13.9119 -3.93278 -41.1686 4.51615 -16.3476 3.76123 1.25344 TIMING: 3302200 CPU: 9942.78, 0.00294399/step Wall: 9942.78, 0.00294399/step, 1.38842 hours remaining, 210.042969 MB of memory in use. ENERGY: 3302200 761.6013 2048.6990 1933.8870 105.7230 -206489.6037 17942.6119 0.0000 0.0000 34150.5427 -149546.5387 298.2452 -183697.0814 -149452.6842 298.2408 -26.0026 8.2863 557083.0945 -16.9077 -16.8590 PRESSURE: 3302400 106.658 -44.2743 167.336 -44.2739 115.127 28.2138 167.336 28.2139 66.8892 GPRESSURE: 3302400 172.445 -75.1916 83.5106 -15.0773 148.357 82.7149 121.889 -13.2653 53.1664 PRESSAVG: 3302400 -27.1601 20.0049 -32.3711 20.005 41.6953 40.9356 -32.371 40.9357 -3.3499 GPRESSAVG: 3302400 -27.0925 21.4952 -32.6131 20.3645 42.3073 37.8566 -31.0667 42.0053 -4.29686 TIMING: 3302400 CPU: 9943.37, 0.00296405/step Wall: 9943.37, 0.00296405/step, 1.39771 hours remaining, 210.042969 MB of memory in use. ENERGY: 3302400 732.6592 2056.2536 1929.1568 105.7673 -206921.0862 18152.0313 0.0000 0.0000 34308.1996 -149637.0185 299.6220 -183945.2181 -149542.5950 298.7116 96.2247 124.6560 557881.0001 3.7284 3.6393 PRESSURE: 3302600 93.4384 -108.852 32.3476 -108.851 -67.9162 76.9022 32.3459 76.902 -231.728 GPRESSURE: 3302600 145.878 -49.5682 142.992 -207.964 -16.8851 -48.9825 -0.311693 87.9413 -214.395 PRESSAVG: 3302600 20.5601 -21.1801 31.0211 -21.1801 -19.0022 -40.587 31.0211 -40.5872 -13.8843 GPRESSAVG: 3302600 20.9487 -22.1312 29.463 -19.758 -18.965 -39.4864 31.1942 -41.5657 -13.8478 TIMING: 3302600 CPU: 9943.96, 0.00296394/step Wall: 9943.96, 0.00296394/step, 1.3975 hours remaining, 210.042969 MB of memory in use. ENERGY: 3302600 739.2196 2098.4490 1959.7343 108.3127 -206355.0983 17796.9751 0.0000 0.0000 34072.4384 -149579.9691 297.5631 -183652.4075 -149487.4206 297.9868 -68.7351 -28.4672 559369.3229 -4.1088 -3.9547 PRESSURE: 3302800 -8.30058 -19.3848 -9.78611 -19.3836 -140.64 -5.36578 -9.7869 -5.36638 -112.077 GPRESSURE: 3302800 54.8266 51.3646 25.1294 17.6257 -167.738 -87.3004 15.7084 -2.58657 -53.8285 PRESSAVG: 3302800 43.5623 45.4882 -21.1505 45.4882 5.97142 -43.7891 -21.1505 -43.7891 -24.6997 GPRESSAVG: 3302800 43.8998 46.9349 -21.9975 42.2271 7.77291 -42.7747 -19.2934 -42.1784 -26.1657 TIMING: 3302800 CPU: 9944.56, 0.00295561/step Wall: 9944.56, 0.00295561/step, 1.39341 hours remaining, 210.042969 MB of memory in use. ENERGY: 3302800 749.7868 2094.8713 1958.0582 105.7489 -206305.8160 17860.8901 0.0000 0.0000 34052.0147 -149484.4459 297.3847 -183536.4607 -149388.7986 298.2843 -87.0056 -55.5801 556124.1131 8.2780 8.5023 PRESSURE: 3303000 377.365 -14.349 75.3729 -14.3489 39.9876 -3.91432 75.3728 -3.91262 8.38094 GPRESSURE: 3303000 433.073 -42.1447 44.2306 62.8517 108.905 -11.4203 109.069 -35.7969 -26.006 PRESSAVG: 3303000 0.42118 50.2727 -49.2495 50.2727 -15.3232 9.79842 -49.2495 9.79856 37.3403 GPRESSAVG: 3303000 1.36653 47.6245 -47.9022 52.3643 -16.1207 10.7211 -47.6039 6.74614 37.2421 TIMING: 3303000 CPU: 9945.15, 0.00296099/step Wall: 9945.15, 0.00296099/step, 1.39578 hours remaining, 210.042969 MB of memory in use. ENERGY: 3303000 702.6521 2095.5120 1940.9379 120.7978 -206188.7656 17945.4086 0.0000 0.0000 33833.9549 -149549.5023 295.4803 -183383.4572 -149456.1166 298.4989 141.9112 171.9907 557616.7497 7.4794 7.4960 PRESSURE: 3303200 196.034 -200.136 -32.319 -200.136 51.4029 3.20656 -32.32 3.2056 109.669 GPRESSURE: 3303200 217.219 -212.388 -116.077 -173.116 63.3677 -73.2063 4.58073 128.655 168.19 PRESSAVG: 3303200 -42.5583 -37.1253 6.60786 -37.1253 80.1757 -0.245198 6.60788 -0.245174 -38.8142 GPRESSAVG: 3303200 -43.2664 -34.4467 7.8792 -38.2836 80.162 -2.98807 4.18898 0.32342 -37.9609 TIMING: 3303200 CPU: 9945.74, 0.00298389/step Wall: 9945.74, 0.00298389/step, 1.40641 hours remaining, 210.042969 MB of memory in use. ENERGY: 3303200 755.4061 2124.0132 1950.5282 101.6447 -206481.9369 18101.1116 0.0000 0.0000 33986.5457 -149462.6874 296.8130 -183449.2330 -149365.2666 298.4086 119.0353 149.5920 556395.5963 -0.3989 -0.3551 PRESSURE: 3303400 144.156 55.865 -78.3903 55.8645 115.101 -65.7806 -78.3905 -65.7807 -204.555 GPRESSURE: 3303400 164.032 74.3006 -88.2404 66.0207 153.343 -40.3889 -99.6078 -28.8173 -172.413 PRESSAVG: 3303400 -4.1269 -47.0489 -0.569402 -47.0489 -26.6107 28.5582 -0.569433 28.5581 54.4558 GPRESSAVG: 3303400 -5.82465 -50.3128 -3.32498 -47.4466 -25.7106 31.5925 0.571361 28.8068 55.6029 TIMING: 3303400 CPU: 9946.34, 0.00300198/step Wall: 9946.34, 0.00300198/step, 1.41477 hours remaining, 210.042969 MB of memory in use. ENERGY: 3303400 729.8074 2101.1082 1923.2614 106.0897 -206357.0827 17817.4259 0.0000 0.0000 34209.0676 -149470.3225 298.7563 -183679.3901 -149374.9566 298.8870 18.2339 48.3207 556237.7198 7.9061 8.0226 PRESSURE: 3303600 -196.558 17.9585 -171.218 17.9589 146.355 28.4298 -171.218 28.4284 -261.487 GPRESSURE: 3303600 -208.473 25.4217 -158.413 29.231 206.629 20.1625 -187.775 39.5076 -205.791 PRESSAVG: 3303600 -5.54563 -82.1078 4.81167 -82.1078 51.0747 3.99303 4.81167 3.99304 9.9048 GPRESSAVG: 3303600 -3.78852 -81.0769 4.88349 -79.4839 51.3119 3.19006 4.21466 3.70682 8.56601 TIMING: 3303600 CPU: 9946.94, 0.00297665/step Wall: 9946.94, 0.00297665/step, 1.40266 hours remaining, 210.042969 MB of memory in use. ENERGY: 3303600 789.7467 2061.6463 1954.9940 111.0997 -206640.8389 17929.7725 0.0000 0.0000 34284.9018 -149508.6779 299.4186 -183793.5797 -149416.3900 298.7236 -103.8964 -69.2115 555322.0881 18.4780 18.6965 PRESSURE: 3303800 -23.2464 -25.1234 -16.4548 -25.124 -205.457 54.7995 -16.4538 54.7997 25.9737 GPRESSURE: 3303800 -43.9461 -52.1042 69.7656 17.8025 -150.962 61.9915 -78.9027 29.4878 97.3105 PRESSAVG: 3303800 8.40737 -50.7422 -16.799 -50.7422 -15.3649 -39.0791 -16.7991 -39.0792 22.041 GPRESSAVG: 3303800 8.19597 -50.8967 -15.0465 -51.8191 -14.0561 -38.4513 -16.1121 -38.1651 21.2397 TIMING: 3303800 CPU: 9947.53, 0.00297246/step Wall: 9947.53, 0.00297246/step, 1.40052 hours remaining, 210.042969 MB of memory in use. ENERGY: 3303800 754.1847 2114.8571 1940.0388 121.2888 -206242.0317 17702.1913 0.0000 0.0000 34092.5850 -149516.8860 297.7390 -183609.4710 -149413.1584 298.6182 -67.5766 -32.5325 555226.3168 5.0278 5.1265 PRESSURE: 3304000 -113.919 -86.463 -14.6877 -86.4643 70.501 34.0972 -14.6868 34.0964 79.3383 GPRESSURE: 3304000 -60.2825 -88.8518 -87.9756 -49.7225 65.8842 23.1306 24.6426 69.6203 114.996 PRESSAVG: 3304000 -11.3768 -20.6582 -35.6267 -20.6582 -4.63065 -53.2564 -35.6267 -53.2564 3.02994 GPRESSAVG: 3304000 -12.3221 -21.0042 -35.241 -19.5903 -5.80407 -54.6198 -36.9825 -53.1548 5.06175 TIMING: 3304000 CPU: 9948.13, 0.00295962/step Wall: 9948.13, 0.00295962/step, 1.39431 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: 3304000 767.9558 2067.4427 1928.6260 116.1122 -206175.1476 17828.8228 0.0000 0.0000 33936.7481 -149529.4400 296.3781 -183466.1881 -149438.9655 298.3262 11.9733 40.1991 556119.4854 -4.3258 -4.3548 PRESSURE: 3304200 115.938 -147.79 85.955 -147.789 -132.817 74.2565 85.954 74.2573 -72.5507 GPRESSURE: 3304200 130.625 -250.406 122.495 -28.1271 -57.774 -47.1756 41.73 38.0344 -62.8742 PRESSAVG: 3304200 -43.1461 -28.0944 -25.1515 -28.0944 83.1388 -7.01256 -25.1516 -7.01242 -14.7575 GPRESSAVG: 3304200 -41.3093 -27.9331 -25.2583 -28.0042 83.4824 -6.93249 -26.563 -8.19936 -16.8757 TIMING: 3304200 CPU: 9948.72, 0.00295346/step Wall: 9948.72, 0.00295346/step, 1.39124 hours remaining, 210.042969 MB of memory in use. ENERGY: 3304200 755.0710 2059.8125 1943.9021 108.3836 -206470.1732 18033.9359 0.0000 0.0000 34223.6018 -149345.4662 298.8832 -183569.0680 -149249.2157 297.9619 -29.8099 3.3255 558373.4764 8.4117 8.4324 LDB: ============= START OF LOAD BALANCING ============== 9952.23 LDB: ============== END OF LOAD BALANCING =============== 9952.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9952.24 LDB: ============= START OF LOAD BALANCING ============== 9952.54 LDB: Largest compute 4802 load 0.028380 is 24.0% of average load 0.118148 LDB: Average compute 0.001736 is 1.5% of average load 0.118148 LDB: TIME 9952.54 LOAD: AVG 0.118148 MAX 0.206503 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 9952.54 LOAD: AVG 0.118148 MAX 0.206503 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.402 MB LDB: TIME 9952.54 LOAD: AVG 0.118148 MAX 0.206503 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.402 MB LDB: ============== END OF LOAD BALANCING =============== 9952.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9952.54 PRESSURE: 3304400 162.704 -81.354 -26.8839 -81.354 97.7335 -35.6815 -26.8838 -35.6805 271.963 GPRESSURE: 3304400 237.74 -74.3806 -59.9509 -8.04719 71.2771 -79.6188 -31.0659 -2.25982 318.07 PRESSAVG: 3304400 -15.4354 -5.70282 38.8385 -5.70292 39.7248 -35.0959 38.8385 -35.0959 26.9441 GPRESSAVG: 3304400 -16.3503 -4.50849 38.0332 -7.63067 39.0431 -32.7878 39.1402 -35.0914 28.2095 TIMING: 3304400 CPU: 9949.33, 0.00305034/step Wall: 9949.33, 0.00305034/step, 1.43671 hours remaining, 209.710938 MB of memory in use. ENERGY: 3304400 761.6428 2105.8187 1939.5199 112.0172 -206562.3367 18157.5711 0.0000 0.0000 34205.0956 -149280.6715 298.7216 -183485.7671 -149177.5820 299.8091 177.4667 209.0289 557099.5595 17.0778 16.9674 PRESSURE: 3304600 209.591 76.5397 94.6678 76.5383 136.607 -14.1753 94.6674 -14.1741 108.741 GPRESSURE: 3304600 209.376 121.505 156.141 60.1313 187.348 -56.6816 46.7544 13.8598 170.143 PRESSAVG: 3304600 -13.3183 9.66895 -28.3515 9.66897 1.62896 -1.33281 -28.3514 -1.33281 8.85547 GPRESSAVG: 3304600 -14.1192 10.4549 -26.1739 11.1262 2.66558 -2.86893 -27.0965 -0.475102 8.20476 TIMING: 3304600 CPU: 9949.93, 0.00300072/step Wall: 9949.93, 0.00300072/step, 1.41317 hours remaining, 209.914062 MB of memory in use. ENERGY: 3304600 728.6719 2103.0920 1914.8411 107.9871 -206513.8980 18132.5341 0.0000 0.0000 34155.2742 -149371.4976 298.2865 -183526.7717 -149270.9371 299.3529 151.6465 188.9559 557578.8325 -0.9446 -1.0830 PRESSURE: 3304800 -123.051 -43.0148 -62.7583 -43.0148 -118.218 43.2597 -62.7574 43.2589 -284.131 GPRESSURE: 3304800 -96.8766 -14.0053 -165.251 53.2975 -65.2338 -54.301 14.6018 82.8301 -269.405 PRESSAVG: 3304800 10.8863 49.6412 -59.2663 49.6413 -13.4052 -7.0573 -59.2663 -7.05738 21.2064 GPRESSAVG: 3304800 11.3052 48.6979 -59.8825 49.6822 -14.5733 -6.51185 -60.5199 -6.01315 21.1653 TIMING: 3304800 CPU: 9950.52, 0.00298636/step Wall: 9950.52, 0.00298637/step, 1.40625 hours remaining, 209.914062 MB of memory in use. ENERGY: 3304800 728.8052 2157.1767 1941.6861 108.5645 -205912.5027 17545.9683 0.0000 0.0000 34124.8549 -149305.4470 298.0208 -183430.3019 -149207.0811 299.0005 -175.1334 -143.8386 558269.8376 6.2292 5.9657 PRESSURE: 3305000 -8.9767 94.4131 -221.502 94.4136 303.863 194.027 -221.503 194.026 -54.6176 GPRESSURE: 3305000 26.3337 113.355 -276.204 139.502 289.87 141.294 -166.542 208.634 18.7643 PRESSAVG: 3305000 -0.5082 -54.5089 -8.02359 -54.5089 20.9032 62.3656 -8.02356 62.3656 -38.7211 GPRESSAVG: 3305000 -0.0385248 -56.1722 -8.36043 -55.6501 20.596 59.1216 -7.43247 62.4652 -39.1242 TIMING: 3305000 CPU: 9951.12, 0.00298958/step Wall: 9951.12, 0.00298958/step, 1.4076 hours remaining, 209.914062 MB of memory in use. ENERGY: 3305000 741.0310 2067.8084 1938.2434 106.4505 -206227.6199 17917.0093 0.0000 0.0000 34357.2055 -149099.8717 300.0500 -183457.0772 -148998.5988 299.1110 80.0897 111.6559 557710.9198 -6.1087 -6.1889 PRESSURE: 3305200 112.754 45.1825 39.4901 45.1819 23.4068 43.2624 39.4925 43.2638 -179.806 GPRESSURE: 3305200 98.1575 -1.92224 10.0362 30.3762 36.1302 19.325 17.8557 52.3648 -74.0072 PRESSAVG: 3305200 31.5522 -16.9616 2.15159 -16.9614 22.9929 -3.44027 2.15157 -3.44019 -80.3899 GPRESSAVG: 3305200 29.3304 -15.1487 1.29573 -17.3474 23.2519 -3.06585 1.78573 -4.03815 -77.787 TIMING: 3305200 CPU: 9951.72, 0.00298761/step Wall: 9951.72, 0.00298761/step, 1.4065 hours remaining, 210.117188 MB of memory in use. ENERGY: 3305200 761.5110 2142.0880 1955.1097 99.9403 -205859.1811 17634.1193 0.0000 0.0000 34291.0704 -148975.3425 299.4724 -183266.4129 -148880.0066 299.7519 -14.5483 20.0935 556560.9136 -8.6150 -8.4015 PRESSURE: 3305400 -253.012 49.0714 135.812 49.0709 -103.844 -43.9945 135.812 -43.9955 -333.444 GPRESSURE: 3305400 -223.65 -32.8188 65.8314 133.682 -53.4477 -75.9314 196.654 -61.439 -313.726 PRESSAVG: 3305400 37.8095 2.63576 40.338 2.63577 1.67177 55.4038 40.338 55.4038 -49.0805 GPRESSAVG: 3305400 38.9281 1.69794 40.5369 4.58129 1.49787 55.5036 42.3349 55.4552 -49.4376 TIMING: 3305400 CPU: 9952.32, 0.0030201/step Wall: 9952.32, 0.0030201/step, 1.42163 hours remaining, 210.117188 MB of memory in use. ENERGY: 3305400 788.4095 2059.9012 1938.6707 115.0007 -205941.7935 17613.4740 0.0000 0.0000 34406.2580 -149020.0794 300.4784 -183426.3373 -148923.9689 300.0486 -230.0999 -196.9410 556813.1533 -3.1997 -3.0039 PRESSURE: 3305600 158.274 -39.0861 2.88023 -39.0862 139.585 79.6806 2.87959 79.6816 368.794 GPRESSURE: 3305600 191.411 -69.0654 30.4218 -52.726 155.531 14.7397 -26.383 101.063 413.229 PRESSAVG: 3305600 66.3713 -12.4268 -47.6155 -12.4268 -21.9556 21.9907 -47.6156 21.9907 16.5055 GPRESSAVG: 3305600 68.1507 -14.0418 -48.7305 -12.9687 -21.8745 21.2202 -48.2493 21.4733 15.1103 TIMING: 3305600 CPU: 9952.93, 0.00300577/step Wall: 9952.93, 0.00300577/step, 1.41472 hours remaining, 210.117188 MB of memory in use. ENERGY: 3305600 783.8501 2085.5358 1951.8433 110.4992 -206208.3121 18063.1922 0.0000 0.0000 34078.7204 -149134.6710 297.6179 -183213.3914 -149036.1342 299.7390 222.2175 253.3902 555995.6402 20.3071 20.4622 PRESSURE: 3305800 -116.811 -90.422 -21.9768 -90.4235 -192.214 48.3585 -21.9749 48.3582 -213.628 GPRESSURE: 3305800 -105.707 -162.291 -40.0039 0.380329 -160.565 -51.0508 28.3832 74.1846 -154.848 PRESSAVG: 3305800 -10.2036 -6.44282 -0.149631 -6.44266 -3.29064 7.66167 -0.149643 7.66173 43.4046 GPRESSAVG: 3305800 -11.4032 -3.86946 1.75147 -6.47001 -3.53363 8.07513 -0.726333 7.69363 45.1112 TIMING: 3305800 CPU: 9953.52, 0.00298766/step Wall: 9953.52, 0.00298766/step, 1.40603 hours remaining, 210.117188 MB of memory in use. ENERGY: 3305800 780.3519 2091.8740 1953.8154 104.4583 -206279.5047 17544.3222 0.0000 0.0000 34364.1472 -149440.5357 300.1106 -183804.6829 -149344.5650 298.9792 -174.2177 -140.3736 557073.6837 9.9701 10.0581 PRESSURE: 3306000 158.953 -113.83 -36.5889 -113.83 -75.8056 -86.2466 -36.5894 -86.2464 -219.205 GPRESSURE: 3306000 163.668 -86.6016 -104.431 -161.484 -14.8043 -44.1967 -85.8536 -40.9428 -182.1 PRESSAVG: 3306000 -18.1191 -1.01846 -30.9909 -1.01848 -13.3914 21.7084 -30.9909 21.7085 -20.8575 GPRESSAVG: 3306000 -18.0188 -2.12447 -31.6619 -1.90183 -12.1226 22.2339 -32.8512 19.1922 -21.9435 TIMING: 3306000 CPU: 9954.12, 0.0029656/step Wall: 9954.12, 0.0029656/step, 1.39548 hours remaining, 210.117188 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: 3306000 769.1366 2087.4201 1928.9126 117.4546 -206317.7861 17817.2391 0.0000 0.0000 34147.4866 -149450.1365 298.2185 -183597.6231 -149351.5682 298.2260 -45.3527 -11.0790 556436.4036 -17.4560 -17.3617 PRESSURE: 3306200 287.199 -116.68 251.335 -116.68 259.174 60.9767 251.336 60.975 224.54 GPRESSURE: 3306200 345.69 -68.0786 218.583 -187.474 272.413 64.2925 260.857 153.059 241.498 PRESSAVG: 3306200 51.9828 42.7685 3.71388 42.7685 12.7974 -26.2069 3.71391 -26.207 -22.0094 GPRESSAVG: 3306200 52.3325 42.9904 3.99568 44.4455 11.4031 -27.0868 6.25309 -23.3778 -21.1526 TIMING: 3306200 CPU: 9954.71, 0.0029797/step Wall: 9954.71, 0.0029797/step, 1.40195 hours remaining, 210.117188 MB of memory in use. ENERGY: 3306200 775.9316 2093.1060 1927.9580 107.8203 -207367.9444 18534.8605 0.0000 0.0000 34368.5403 -149559.7278 300.1490 -183928.2681 -149459.5093 298.8291 256.9712 286.5336 554418.5820 14.2569 14.1943 PRESSURE: 3306400 -202.665 -86.4395 45.9589 -86.4381 -24.5398 96.1468 45.9579 96.1478 -99.3943 GPRESSURE: 3306400 -141.396 -133.893 19.2614 -74.7942 -15.4119 1.32214 77.0592 150.12 -64.8197 PRESSAVG: 3306400 42.0908 -15.8065 4.48025 -15.8064 -24.6841 3.6018 4.48026 3.60194 -11.6328 GPRESSAVG: 3306400 42.5006 -16.9201 3.73497 -15.6197 -24.537 4.23089 3.6317 4.99881 -11.9138 TIMING: 3306400 CPU: 9955.31, 0.00300408/step Wall: 9955.31, 0.00300408/step, 1.41325 hours remaining, 210.117188 MB of memory in use. ENERGY: 3306400 768.7452 2105.9603 1932.9471 121.5586 -206162.0857 17663.5715 0.0000 0.0000 34154.5966 -149414.7064 298.2806 -183569.3031 -149321.7160 298.9654 -108.8662 -73.8760 557266.5865 1.9247 2.0166 PRESSURE: 3306600 -431.361 31.7164 -46.8581 31.7162 -112.913 71.7385 -46.857 71.7388 -261.945 GPRESSURE: 3306600 -315.427 -17.1103 16.8981 36.3157 -137.179 107.009 -61.337 46.1143 -251.26 PRESSAVG: 3306600 56.1126 9.21588 -15.7972 9.21592 -51.0717 30.8895 -15.7972 30.8895 -18.4781 GPRESSAVG: 3306600 55.368 9.56008 -15.3248 10.3631 -50.5954 29.7393 -15.6049 30.0882 -18.4291 TIMING: 3306600 CPU: 9955.91, 0.00300242/step Wall: 9955.91, 0.00300242/step, 1.41231 hours remaining, 210.117188 MB of memory in use. ENERGY: 3306600 771.8520 2093.9100 1893.2038 112.8204 -205890.4943 17560.3678 0.0000 0.0000 34165.9700 -149292.3702 298.3799 -183458.3402 -149199.0926 299.7562 -268.7397 -234.6222 558152.7395 -4.4790 -4.5522 PRESSURE: 3306800 241.828 53.8161 -88.2917 53.816 -122.083 -33.1358 -88.2912 -33.1348 -77.4525 GPRESSURE: 3306800 293.562 15.3574 -74.4955 92.6201 -61.2936 -57.8518 -114.204 -46.3495 -98.148 PRESSAVG: 3306800 27.0801 -10.1701 -12.0832 -10.1701 -8.50573 -42.7785 -12.0832 -42.7785 1.41667 GPRESSAVG: 3306800 27.351 -10.4952 -12.8465 -11.2919 -8.90156 -40.4975 -11.8292 -45.6306 1.20143 TIMING: 3306800 CPU: 9956.51, 0.00298625/step Wall: 9956.51, 0.00298625/step, 1.40453 hours remaining, 210.117188 MB of memory in use. ENERGY: 3306800 728.5795 2118.3811 1958.4214 98.8108 -206264.9084 17843.1431 0.0000 0.0000 34297.4385 -149220.1339 299.5281 -183517.5723 -149128.1972 299.7328 14.0976 44.7067 557696.3123 6.6637 6.5503 PRESSURE: 3307000 -69.9996 100.394 -118.091 100.393 -252.785 -58.709 -118.09 -58.7085 -77.6903 GPRESSURE: 3307000 -0.223614 111.585 -60.5877 80.2272 -223.043 -32.7257 -181.019 -82.9552 -75.9255 PRESSAVG: 3307000 39.6138 -8.28688 -50.1737 -8.28695 -27.4894 -16.2603 -50.1737 -16.2603 17.3119 GPRESSAVG: 3307000 39.4235 -7.97128 -49.93 -9.01873 -26.5273 -18.9761 -50.8576 -13.1081 16.4774 TIMING: 3307000 CPU: 9957.11, 0.00298428/step Wall: 9957.11, 0.00298428/step, 1.40344 hours remaining, 210.117188 MB of memory in use. ENERGY: 3307000 720.6860 2070.6547 1956.5561 115.6875 -205801.4162 17576.9289 0.0000 0.0000 34302.4786 -149058.4245 299.5721 -183360.9031 -148962.7902 300.0798 -133.4918 -99.7306 557865.0646 9.8121 9.7912 PRESSURE: 3307200 27.5521 109.435 129.359 109.433 49.6631 -44.2951 129.359 -44.2927 -48.5739 GPRESSURE: 3307200 68.5161 157.435 80.1899 131.906 105.855 35.4735 222.814 18.3319 -41.276 PRESSAVG: 3307200 105.767 28.0681 -9.39255 28.0681 7.98341 -29.1135 -9.39263 -29.1136 -93.4887 GPRESSAVG: 3307200 106.238 28.6852 -9.67702 29.4136 7.4115 -25.7233 -9.44627 -30.7815 -93.4022 TIMING: 3307200 CPU: 9957.7, 0.0029835/step Wall: 9957.7, 0.0029835/step, 1.40291 hours remaining, 210.117188 MB of memory in use. ENERGY: 3307200 711.4957 2084.9249 1929.7177 118.2873 -206120.4839 17887.4109 0.0000 0.0000 34395.9426 -148992.7048 300.3883 -183388.6473 -148896.7080 299.4273 9.5471 44.3651 559150.0523 6.7538 6.7491 PRESSURE: 3307400 89.888 67.3959 -68.5045 67.3963 191.954 -39.9146 -68.5048 -39.9134 144.524 GPRESSURE: 3307400 139.106 114.963 -73.2175 90.8617 250.473 -6.10774 -23.4279 8.04273 137.146 PRESSAVG: 3307400 -2.10857 -15.5436 30.3289 -15.5435 55.3593 -34.0082 30.3289 -34.0082 -75.2583 GPRESSAVG: 3307400 -3.42721 -13.7257 27.7568 -15.1124 55.7161 -37.5326 31.5312 -33.3204 -74.1506 TIMING: 3307400 CPU: 9958.31, 0.00300878/step Wall: 9958.31, 0.00300878/step, 1.41463 hours remaining, 210.117188 MB of memory in use. ENERGY: 3307400 727.5618 2080.7432 1949.2775 117.1113 -206302.6147 17992.9922 0.0000 0.0000 34240.4862 -149194.4426 299.0307 -183434.9288 -149097.8602 299.6335 142.1222 175.5749 556782.3731 -7.3358 -7.2872 PRESSURE: 3307600 -51.9257 -61.7013 -35.8755 -61.7001 -0.253726 -14.3972 -35.8744 -14.3975 -326.776 GPRESSURE: 3307600 11.9845 -96.3917 -137.942 -77.9964 46.3552 78.7942 25.5629 -5.60425 -342.333 PRESSAVG: 3307600 11.5343 -18.9998 13.0954 -18.9998 55.4916 51.3433 13.0953 51.3432 -54.5301 GPRESSAVG: 3307600 12.6275 -19.7411 15.1199 -20.5044 53.7973 54.0646 14.2355 50.5312 -54.4753 TIMING: 3307600 CPU: 9958.9, 0.00299542/step Wall: 9958.9, 0.00299542/step, 1.40818 hours remaining, 210.117188 MB of memory in use. ENERGY: 3307600 751.6879 2085.5879 1952.3808 107.8259 -205720.0886 17373.3489 0.0000 0.0000 34104.4529 -149344.8043 297.8427 -183449.2572 -149243.5998 299.4750 -126.3186 -94.6644 556849.2680 4.1653 3.9831 PRESSURE: 3307800 82.3791 113.975 -84.958 113.975 72.3835 74.6565 -84.9581 74.6553 -105.421 GPRESSURE: 3307800 140.261 163.834 -79.6204 6.89876 97.8406 98.3687 -97.4713 3.95482 -92.2067 PRESSAVG: 3307800 34.0288 -30.9779 -26.3214 -30.9779 4.20293 -12.2622 -26.3213 -12.262 -45.736 GPRESSAVG: 3307800 33.1016 -30.6227 -25.2551 -32.0829 4.20321 -14.9102 -26.738 -11.5223 -44.2719 TIMING: 3307800 CPU: 9959.51, 0.00300706/step Wall: 9959.51, 0.00300706/step, 1.41349 hours remaining, 210.117188 MB of memory in use. ENERGY: 3307800 720.3210 2149.1910 1930.5182 114.0199 -206485.0770 17923.2487 0.0000 0.0000 34461.2010 -149186.5772 300.9582 -183647.7782 -149093.2137 300.0561 16.4473 48.6316 556217.2891 -2.5014 -2.3223 PRESSURE: 3308000 -45.0297 -64.8052 -8.64122 -64.8048 -213.077 -117.627 -8.64165 -117.628 -176.666 GPRESSURE: 3308000 17.8083 -75.8344 -10.6129 -1.6247 -203.33 -141.016 31.1439 -139.703 -156.751 PRESSAVG: 3308000 45.4209 27.8893 -7.74168 27.8893 -11.1479 35.779 -7.74166 35.779 -26.751 GPRESSAVG: 3308000 45.7127 26.3975 -7.98136 29.7221 -9.52263 37.8529 -8.84244 36.4676 -29.2872 TIMING: 3308000 CPU: 9960.1, 0.00297475/step Wall: 9960.1, 0.00297475/step, 1.39813 hours remaining, 210.117188 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: 3308000 741.4025 2110.5063 1929.7999 134.1108 -206174.4919 17536.3576 0.0000 0.0000 34345.3171 -149376.9977 299.9462 -183722.3148 -149279.4289 299.4793 -144.9243 -114.0907 556161.8347 2.5074 2.3009 PRESSURE: 3308200 -18.8929 -292.142 -75.7406 -292.143 -24.4018 -55.7359 -75.739 -55.7352 151.748 GPRESSURE: 3308200 -24.4312 -260.961 -76.3778 -247.896 11.3166 -35.7984 1.40921 16.5599 203.934 PRESSAVG: 3308200 -54.0397 -75.4979 20.1749 -75.4979 109.815 41.8481 20.1748 41.8482 -61.5208 GPRESSAVG: 3308200 -54.3298 -75.082 19.8752 -77.5975 109.383 42.8224 20.2146 38.9275 -61.0091 TIMING: 3308200 CPU: 9960.7, 0.0029927/step Wall: 9960.7, 0.0029927/step, 1.4064 hours remaining, 210.117188 MB of memory in use. ENERGY: 3308200 761.9457 2067.9188 1949.9686 116.6969 -206449.8225 17894.2311 0.0000 0.0000 34301.9020 -149357.1593 299.5670 -183659.0613 -149260.7708 299.5455 36.1511 63.6065 556370.8665 -1.9153 -1.9851 LDB: ============= START OF LOAD BALANCING ============== 9964.21 LDB: ============== END OF LOAD BALANCING =============== 9964.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9964.21 LDB: ============= START OF LOAD BALANCING ============== 9964.51 LDB: Largest compute 4802 load 0.028970 is 24.5% of average load 0.118157 LDB: Average compute 0.001740 is 1.5% of average load 0.118157 LDB: TIME 9964.51 LOAD: AVG 0.118157 MAX 0.203239 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.43 MB LDB: TIME 9964.51 LOAD: AVG 0.118157 MAX 0.203239 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.477 MB LDB: TIME 9964.51 LOAD: AVG 0.118157 MAX 0.203239 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.477 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9964.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9964.52 PRESSURE: 3308400 178.155 10.5782 77.3374 10.5795 -9.32655 -11.4443 77.3378 -11.4451 -145.438 GPRESSURE: 3308400 185.073 59.2706 67.0705 -34.7201 43.9309 -12.1063 141.912 -63.5913 -121.012 PRESSAVG: 3308400 -16.8428 -99.9707 17.94 -99.9707 29.6608 -11.1936 17.94 -11.1936 -13.6554 GPRESSAVG: 3308400 -17.9613 -99.6172 20.4046 -97.3202 30.577 -12.1824 17.8626 -10.1364 -13.8886 TIMING: 3308400 CPU: 9961.3, 0.00301557/step Wall: 9961.3, 0.00301557/step, 1.41698 hours remaining, 209.441406 MB of memory in use. ENERGY: 3308400 712.2838 2110.0501 1950.4538 112.2231 -206161.2087 17780.4456 0.0000 0.0000 34217.5173 -149278.2351 298.8301 -183495.7524 -149175.7693 299.3749 7.7969 35.9974 555848.3624 -0.2791 -0.4243 PRESSURE: 3308600 121.297 30.9546 24.0706 30.9551 -58.935 6.81397 24.0716 6.81405 -164.636 GPRESSURE: 3308600 129.968 -35.4912 22.2473 75.3052 2.76983 34.4011 -22.7093 8.01937 -127.707 PRESSAVG: 3308600 38.086 -24.6523 -13.9092 -24.6524 -4.09519 -62.9701 -13.9093 -62.9701 -39.9685 GPRESSAVG: 3308600 39.3261 -23.1383 -13.5691 -24.5866 -5.50721 -62.7573 -14.0608 -62.4899 -39.7102 TIMING: 3308600 CPU: 9961.9, 0.00296742/step Wall: 9961.9, 0.00296742/step, 1.39419 hours remaining, 209.847656 MB of memory in use. ENERGY: 3308600 765.3577 2071.5646 1931.5393 110.3175 -206136.3852 17975.8136 0.0000 0.0000 34077.9416 -149203.8510 297.6111 -183281.7925 -149108.9933 298.7589 -34.0911 1.6768 557986.0077 -1.9926 -1.9638 PRESSURE: 3308800 75.0007 66.5135 92.4216 66.5145 155.017 -19.5423 92.4216 -19.5423 -273.45 GPRESSURE: 3308800 26.6244 73.9931 133.303 60.5889 227.624 1.74706 36.4775 -102.633 -201.812 PRESSAVG: 3308800 -3.77694 30.5196 56.3227 30.5196 14.8231 -48.61 56.3227 -48.6099 -41.907 GPRESSAVG: 3308800 -4.84884 29.5149 53.9373 28.1291 15.0816 -50.562 56.9619 -49.4023 -41.5816 TIMING: 3308800 CPU: 9962.49, 0.00295316/step Wall: 9962.49, 0.00295316/step, 1.38733 hours remaining, 209.847656 MB of memory in use. ENERGY: 3308800 729.6747 2058.9670 1945.2449 114.9158 -206203.4364 17867.3823 0.0000 0.0000 34362.3727 -149124.8789 300.0951 -183487.2516 -149029.3655 299.0114 -14.4772 17.4789 558969.0546 -10.2869 -10.4496 PRESSURE: 3309000 35.2158 32.8228 -156.196 32.8216 21.3775 -23.3177 -156.196 -23.3191 236.641 GPRESSURE: 3309000 39.1908 34.0013 -77.5219 32.5596 60.8597 76.8206 -195.348 -72.3217 284.591 PRESSAVG: 3309000 -3.32895 -50.1663 3.20269 -50.1664 80.0936 -48.0673 3.20273 -48.0674 -49.148 GPRESSAVG: 3309000 -3.04029 -49.5224 2.71881 -51.132 80.5095 -47.1609 3.18158 -47.9129 -50.0767 TIMING: 3309000 CPU: 9963.09, 0.00299055/step Wall: 9963.09, 0.00299055/step, 1.40473 hours remaining, 209.847656 MB of memory in use. ENERGY: 3309000 719.5542 2088.7723 1914.4999 105.7085 -205944.7050 17695.7710 0.0000 0.0000 34340.8103 -149079.5887 299.9068 -183420.3990 -148986.5215 299.3299 97.7446 128.2140 557799.4516 9.2056 9.1308 PRESSURE: 3309200 -99.2028 -142.757 32.9041 -142.758 -132.487 -85.12 32.9059 -85.1212 -193.514 GPRESSURE: 3309200 -117.484 -44.83 65.319 -139.449 -50.5285 -21.6876 -1.25621 -174.997 -163.144 PRESSAVG: 3309200 -11.1031 14.9111 8.80144 14.9111 30.4928 -45.4328 8.80136 -45.4327 -20.9699 GPRESSAVG: 3309200 -9.92762 13.5782 7.33452 17.1058 29.7189 -43.7958 9.02879 -44.2032 -21.2385 TIMING: 3309200 CPU: 9963.68, 0.0029652/step Wall: 9963.68, 0.0029652/step, 1.39266 hours remaining, 209.847656 MB of memory in use. ENERGY: 3309200 771.4355 2100.0700 1936.6220 99.9731 -205768.6675 17509.9668 0.0000 0.0000 34421.1862 -148929.4138 300.6088 -183350.6001 -148830.0588 300.2708 -141.7345 -110.3855 556958.0426 -0.5267 -0.4824 PRESSURE: 3309400 -309.826 -39.3652 -273.713 -39.3648 209.15 55.4256 -273.711 55.4264 -372.848 GPRESSURE: 3309400 -278.635 29.7566 -287.215 -11.9089 192.027 54.0392 -207.681 3.52876 -289.188 PRESSAVG: 3309400 -53.6301 17.7064 -35.6596 17.7063 100.479 -27.3602 -35.6596 -27.3602 -3.41773 GPRESSAVG: 3309400 -54.4517 16.8176 -34.6185 19.7179 101.381 -31.1024 -34.8186 -26.5158 -3.35803 TIMING: 3309400 CPU: 9964.27, 0.00297273/step Wall: 9964.27, 0.00297273/step, 1.39603 hours remaining, 209.847656 MB of memory in use. ENERGY: 3309400 753.2567 2055.3495 1953.9634 102.6781 -205916.6266 17514.7281 0.0000 0.0000 34330.7359 -149205.9151 299.8189 -183536.6510 -149104.5862 300.4849 -157.8413 -125.2654 556423.2074 14.4771 14.5239 PRESSURE: 3309600 -175.737 142.97 99.373 142.969 -127.433 -209.228 99.375 -209.227 -115.475 GPRESSURE: 3309600 -166.101 202.945 110.19 194.48 -52.1589 -178.723 123.404 -242.404 -92.7784 PRESSAVG: 3309600 -30.9086 -38.2941 -6.69872 -38.2941 76.6256 10.7618 -6.69865 10.7619 -62.4967 GPRESSAVG: 3309600 -31.3067 -35.8834 -6.71574 -40.9256 76.2933 12.4769 -7.70012 7.37511 -61.9725 TIMING: 3309600 CPU: 9964.86, 0.00295881/step Wall: 9964.86, 0.00295881/step, 1.38933 hours remaining, 209.847656 MB of memory in use. ENERGY: 3309600 735.8464 2031.2802 1944.7745 111.4969 -206155.3678 17437.2567 0.0000 0.0000 34443.8070 -149450.9061 300.8063 -183894.7130 -149351.9177 299.1935 -139.5483 -103.6795 556783.1606 -5.5932 -5.6620 PRESSURE: 3309800 -154.231 -56.2358 133.924 -56.2363 -175.139 14.505 133.925 14.5046 -59.1258 GPRESSURE: 3309800 -88.0255 67.5781 105.587 -79.4886 -199.299 33.5299 153.031 -13.5326 3.5385 PRESSAVG: 3309800 13.1868 24.3471 22.7883 24.3471 -31.5552 2.42336 22.7884 2.42348 -0.579549 GPRESSAVG: 3309800 12.659 25.348 23.6854 23.0937 -31.6895 1.19607 21.8693 4.49889 -0.290333 TIMING: 3309800 CPU: 9965.46, 0.00296594/step Wall: 9965.46, 0.00296594/step, 1.39251 hours remaining, 209.847656 MB of memory in use. ENERGY: 3309800 756.1002 2032.6718 1908.2757 117.1758 -206028.9484 17660.5431 0.0000 0.0000 34226.1839 -149327.9978 298.9058 -183554.1817 -149227.0000 298.4508 -129.4986 -94.5954 556369.3419 -6.3160 -6.4403 PRESSURE: 3310000 -195.449 -113.602 71.8844 -113.604 -101.326 50.7546 71.8832 50.7543 192.393 GPRESSURE: 3310000 -157.713 -182.667 35.4766 -11.1637 -68.7652 60.2275 63.6643 62.5556 210.252 PRESSAVG: 3310000 -6.89386 -42.6018 17.9949 -42.6017 91.3228 10.3363 17.995 10.3363 -56.4695 GPRESSAVG: 3310000 -5.63353 -44.0808 17.879 -40.2633 91.514 11.8976 17.2561 8.66902 -58.7031 TIMING: 3310000 CPU: 9966.05, 0.00297389/step Wall: 9966.05, 0.00297389/step, 1.39608 hours remaining, 209.847656 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: 3310000 749.7269 2080.6051 1951.8667 108.0302 -206080.7098 17701.7992 0.0000 0.0000 34180.6729 -149308.0088 298.5083 -183488.6816 -149205.8771 299.6047 -34.7944 -5.4085 557389.0517 9.3198 9.0591 PRESSURE: 3310200 -107.867 -64.6506 63.4685 -64.6502 233.881 144.28 63.4678 144.28 182.923 GPRESSURE: 3310200 -83.6666 -81.0476 94.5226 -99.2448 205.227 244.25 0.772516 156.767 296.776 PRESSAVG: 3310200 -38.1057 -48.813 -11.5454 -48.8131 60.7083 44.3406 -11.5455 44.3407 -14.3147 GPRESSAVG: 3310200 -38.8053 -48.4926 -11.2247 -49.0215 60.107 45.5568 -10.4638 45.0898 -13.1846 TIMING: 3310200 CPU: 9966.65, 0.00298309/step Wall: 9966.65, 0.00298309/step, 1.40023 hours remaining, 209.847656 MB of memory in use. ENERGY: 3310200 760.7746 2091.2349 1935.0161 123.9779 -206509.0165 18072.2802 0.0000 0.0000 34239.0171 -149286.7156 299.0179 -183525.7327 -149191.3706 298.9634 102.9794 139.4454 555542.9712 2.7627 2.7057 PRESSURE: 3310400 311.896 -73.5283 247.04 -73.5286 197.626 120.602 247.04 120.603 107.643 GPRESSURE: 3310400 344.709 -87.638 282.9 -28.7853 240.972 96.769 127.681 140.461 136.438 PRESSAVG: 3310400 -48.6789 -43.6294 25.9376 -43.6295 73.1513 28.6879 25.9376 28.6879 10.6835 GPRESSAVG: 3310400 -49.2627 -44.406 25.7549 -44.9103 73.1965 27.9363 26.602 26.401 10.6309 TIMING: 3310400 CPU: 9967.25, 0.00298926/step Wall: 9967.25, 0.00298926/step, 1.40296 hours remaining, 209.847656 MB of memory in use. ENERGY: 3310400 715.1223 2051.7944 1961.2691 105.8015 -206538.5178 18062.0134 0.0000 0.0000 34381.3190 -149261.1980 300.2606 -183642.5170 -149160.1591 298.9059 205.7218 240.7063 556304.0471 11.7186 11.5216 PRESSURE: 3310600 -120.369 -9.05559 26.3864 -9.05585 74.8569 -126.894 26.3867 -126.895 14.9232 GPRESSURE: 3310600 -96.81 -15.5019 -56.5963 -70.6722 145.596 -152.881 43.2463 -100.275 10.0472 PRESSAVG: 3310600 -8.28224 -1.51571 15.9437 -1.51569 77.5134 -2.35137 15.9437 -2.35151 -10.7482 GPRESSAVG: 3310600 -7.61696 -0.91629 13.7365 -0.344848 77.5994 -4.28217 16.6048 0.332124 -11.6437 TIMING: 3310600 CPU: 9967.85, 0.00300607/step Wall: 9967.85, 0.00300607/step, 1.41068 hours remaining, 209.847656 MB of memory in use. ENERGY: 3310600 725.6803 2042.4300 1930.4467 112.7335 -206147.1065 17638.1218 0.0000 0.0000 34328.7141 -149368.9801 299.8012 -183697.6942 -149266.4869 299.5340 -10.1961 19.6111 556072.9682 19.4943 19.4462 PRESSURE: 3310800 -229.644 -71.3448 -3.42706 -71.3444 -302.415 -18.9727 -3.42681 -18.971 -9.12473 GPRESSURE: 3310800 -172.927 -119.733 -3.82938 -69.9098 -318.415 53.2194 -11.9343 9.01855 33.8697 PRESSAVG: 3310800 -79.2834 -37.4328 -10.473 -37.4327 31.1633 52.4615 -10.473 52.4614 65.5676 GPRESSAVG: 3310800 -78.6807 -41.4215 -8.88497 -37.8241 31.0755 53.9782 -10.075 51.8083 64.9828 TIMING: 3310800 CPU: 9968.45, 0.00298439/step Wall: 9968.45, 0.00298439/step, 1.40034 hours remaining, 209.847656 MB of memory in use. ENERGY: 3310800 798.0935 2093.0758 1936.5979 121.4108 -206184.9041 17552.2047 0.0000 0.0000 34034.9431 -149648.5783 297.2356 -183683.5214 -149557.4599 298.3833 -180.3945 -152.4908 556727.8368 5.8158 5.7926 PRESSURE: 3311000 185.905 -11.3883 -23.287 -11.3875 98.4553 -62.6757 -23.2871 -62.6749 177.215 GPRESSURE: 3311000 242.247 137.797 0.344101 -125.271 101.521 39.634 85.9835 -130.04 210.788 PRESSAVG: 3311000 -78.648 -42.2303 -38.395 -42.2302 2.69885 -28.3537 -38.395 -28.3537 83.5518 GPRESSAVG: 3311000 -79.3291 -40.0698 -37.6906 -42.9575 3.29752 -29.5602 -40.2716 -28.3091 83.3396 TIMING: 3311000 CPU: 9969.04, 0.00299714/step Wall: 9969.04, 0.00299714/step, 1.40616 hours remaining, 209.847656 MB of memory in use. ENERGY: 3311000 737.2835 2089.6608 1954.9385 126.7349 -206568.1197 17992.5400 0.0000 0.0000 34090.0984 -149576.8637 297.7173 -183666.9620 -149481.2501 297.9869 153.8584 184.8521 554827.9614 2.5342 2.4360 PRESSURE: 3311200 -146.138 -104.374 136.15 -104.374 -208.863 134.848 136.15 134.848 -111.864 GPRESSURE: 3311200 -104.325 -13.4124 82.81 -176.23 -156.753 82.1121 112.696 186.63 -96.0928 PRESSAVG: 3311200 91.4623 -9.56257 -13.8084 -9.5626 -59.3042 -14.455 -13.8085 -14.455 -55.3028 GPRESSAVG: 3311200 90.1518 -8.57665 -12.5645 -10.5193 -59.1118 -12.8367 -11.5539 -14.2827 -53.8874 TIMING: 3311200 CPU: 9969.65, 0.00300911/step Wall: 9969.65, 0.00300911/step, 1.41161 hours remaining, 209.847656 MB of memory in use. ENERGY: 3311200 768.9038 2065.0505 1936.2733 112.0994 -206276.7686 17610.9475 0.0000 0.0000 34326.3198 -149457.1743 299.7803 -183783.4942 -149366.6279 298.6097 -155.6218 -119.0568 557898.2383 -7.7149 -7.6158 PRESSURE: 3311400 -34.7643 -58.3235 92.6878 -58.3239 -14.1544 -82.7505 92.6872 -82.7516 -70.384 GPRESSURE: 3311400 44.6098 -79.5661 107.42 -118.25 64.8603 -145.656 7.27165 -4.88568 -133.173 PRESSAVG: 3311400 -10.3339 18.5968 23.5123 18.5967 35.5361 29.8739 23.5123 29.8739 -37.6286 GPRESSAVG: 3311400 -8.23791 17.5515 23.261 18.6009 34.8431 28.207 22.5696 32.2414 -39.1287 TIMING: 3311400 CPU: 9970.24, 0.002953/step Wall: 9970.24, 0.002953/step, 1.38512 hours remaining, 209.847656 MB of memory in use. ENERGY: 3311400 779.3852 2057.4550 1927.6574 116.4059 -206457.9188 17887.5988 0.0000 0.0000 34277.5420 -149411.8745 299.3543 -183689.4165 -149318.9841 298.3721 -39.7676 -7.9010 557215.3527 -4.1422 -4.1745 PRESSURE: 3311600 -10.1361 66.4411 -107.429 66.4393 117.966 -4.63031 -107.43 -4.62916 -85.1441 GPRESSURE: 3311600 -46.2616 -7.01406 -17.1848 118.82 182.308 -76.4752 -162.056 -13.8843 -23.4558 PRESSAVG: 3311600 8.89534 -14.5033 18.8121 -14.5033 20.8971 77.6047 18.8122 77.6049 -10.1007 GPRESSAVG: 3311600 7.87439 -16.3178 20.7438 -11.9472 20.7101 78.8602 17.8056 75.8243 -8.66138 TIMING: 3311600 CPU: 9970.83, 0.00296481/step Wall: 9970.83, 0.00296481/step, 1.39049 hours remaining, 209.847656 MB of memory in use. ENERGY: 3311600 764.8187 2092.2568 1949.7120 119.1329 -206534.7431 17897.7623 0.0000 0.0000 34262.8818 -149448.1785 299.2263 -183711.0603 -149353.6585 299.2275 7.5621 37.5301 555775.6278 6.5639 6.6410 PRESSURE: 3311800 -163.048 144.854 61.9164 144.854 -58.2426 115.569 61.9161 115.568 160.111 GPRESSURE: 3311800 -93.8361 133.89 42.6549 139.569 -51.6011 208.358 -11.1728 66.221 185.408 PRESSAVG: 3311800 -22.4139 -18.7627 3.05095 -18.7625 15.8282 35.992 3.05095 35.992 7.20063 GPRESSAVG: 3311800 -23.2209 -15.3643 0.586183 -20.8718 16.8412 35.5654 5.47419 35.5052 6.62488 TIMING: 3311800 CPU: 9971.42, 0.00296639/step Wall: 9971.42, 0.00296639/step, 1.39107 hours remaining, 209.847656 MB of memory in use. ENERGY: 3311800 734.9367 2061.9846 1937.5709 106.4186 -206452.9459 18020.0385 0.0000 0.0000 34081.6501 -149510.3464 297.6435 -183591.9965 -149415.6381 298.4260 -20.3930 13.3237 556075.4411 0.2050 0.0817 PRESSURE: 3312000 -213.008 -32.1266 -21.8711 -32.1257 176.168 50.3395 -21.871 50.3391 -327.107 GPRESSURE: 3312000 -178.577 -27.7372 -21.085 -78.3568 194.274 70.1324 -51.0542 1.41057 -280.105 PRESSAVG: 3312000 -24.3331 87.7449 -72.6269 87.745 16.6881 -25.8273 -72.6269 -25.8274 56.367 GPRESSAVG: 3312000 -24.8577 86.0899 -71.6823 89.5872 16.6572 -26.2296 -74.0353 -25.1063 57.4159 TIMING: 3312000 CPU: 9972.01, 0.00295629/step Wall: 9972.01, 0.00295629/step, 1.38617 hours remaining, 209.847656 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: 3312000 738.6160 2056.1958 1920.7572 118.8755 -206138.8969 17644.2880 0.0000 0.0000 34029.7222 -149630.4422 297.1900 -183660.1644 -149532.1166 297.6293 -121.3158 -88.1358 556764.9526 16.2406 16.4051 PRESSURE: 3312200 -166.79 81.4089 58.0581 81.4095 4.95229 129.868 58.0568 129.868 -187.857 GPRESSURE: 3312200 -111.914 150.015 93.6859 -30.1082 26.1351 58.0008 5.3501 151.461 -176.904 PRESSAVG: 3312200 -0.0828581 -39.2547 -0.787692 -39.2547 -22.9426 -23.1941 -0.787695 -23.1941 0.494439 GPRESSAVG: 3312200 -0.416299 -39.3036 -2.16768 -40.605 -22.4548 -23.2877 -0.742368 -25.3889 0.326061 TIMING: 3312200 CPU: 9972.6, 0.00295283/step Wall: 9972.6, 0.00295283/step, 1.38439 hours remaining, 209.847656 MB of memory in use. ENERGY: 3312200 779.0547 2111.6603 1941.6400 110.1326 -206396.2212 17676.9631 0.0000 0.0000 34426.6854 -149350.0851 300.6568 -183776.7705 -149257.7272 298.2554 -116.5648 -87.5610 555718.8232 -7.5104 -7.5150 LDB: ============= START OF LOAD BALANCING ============== 9976.12 LDB: ============== END OF LOAD BALANCING =============== 9976.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9976.12 LDB: ============= START OF LOAD BALANCING ============== 9976.42 LDB: Largest compute 4802 load 0.030116 is 25.5% of average load 0.118126 LDB: Average compute 0.001738 is 1.5% of average load 0.118126 LDB: TIME 9976.42 LOAD: AVG 0.118126 MAX 0.206025 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.512 MB LDB: TIME 9976.42 LOAD: AVG 0.118126 MAX 0.206025 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.758 MB LDB: TIME 9976.42 LOAD: AVG 0.118126 MAX 0.206025 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.758 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9976.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9976.43 PRESSURE: 3312400 -54.9642 -244.203 15.9539 -244.203 -23.382 -103.555 15.9533 -103.554 23.4362 GPRESSURE: 3312400 -96.5844 -188.867 -8.08609 -193.302 3.35013 18.4554 80.8094 -126.725 139.666 PRESSAVG: 3312400 -6.72368 -3.3401 -82.9413 -3.34013 65.4844 21.6086 -82.9413 21.6087 -43.7317 GPRESSAVG: 3312400 -5.82388 -2.41649 -82.4447 -2.7902 64.7357 23.014 -81.798 21.886 -43.2995 TIMING: 3312400 CPU: 9973.21, 0.00302032/step Wall: 9973.21, 0.00302032/step, 1.41586 hours remaining, 207.203125 MB of memory in use. ENERGY: 3312400 732.1038 2095.9348 1938.2321 111.5792 -206103.4720 17683.8068 0.0000 0.0000 34302.4852 -149239.3301 299.5721 -183541.8153 -149138.0430 298.4800 -18.3033 15.4772 556074.0027 5.0097 5.2041 PRESSURE: 3312600 -267.182 -103.436 11.0005 -103.435 -257.107 -20.2658 11.0005 -20.2679 -141.821 GPRESSURE: 3312600 -230.074 -132.174 -22.3138 -39.8357 -222.953 19.326 -42.9165 3.556 -118.622 PRESSAVG: 3312600 -68.5697 -10.0749 -7.00112 -10.0749 30.4114 21.4456 -7.00111 21.4456 69.3281 GPRESSAVG: 3312600 -68.8595 -11.7385 -7.40216 -8.92965 30.478 18.6607 -6.64234 24.5262 69.547 TIMING: 3312600 CPU: 9973.8, 0.00295511/step Wall: 9973.8, 0.00295511/step, 1.38512 hours remaining, 207.406250 MB of memory in use. ENERGY: 3312600 753.7743 2150.3941 1940.3616 110.4581 -205923.1253 17581.3360 0.0000 0.0000 34309.1563 -149077.6449 299.6304 -183386.8012 -148993.3897 299.5182 -222.0370 -190.5500 557827.2220 10.3899 10.3885 PRESSURE: 3312800 -30.2271 104.587 -254.107 104.586 -110.305 53.0034 -254.109 53.0034 -206.586 GPRESSURE: 3312800 -14.0205 99.4578 -284.876 58.2557 -83.148 145.213 -256.202 -50.5217 -136.482 PRESSAVG: 3312800 -4.72082 49.0786 -108.102 49.0786 -2.92697 -17.8978 -108.102 -17.8978 -39.3326 GPRESSAVG: 3312800 -5.18932 51.906 -110.518 46.8402 -2.95765 -16.9825 -109.209 -19.2214 -38.969 TIMING: 3312800 CPU: 9974.4, 0.00297555/step Wall: 9974.4, 0.00297555/step, 1.39454 hours remaining, 207.406250 MB of memory in use. ENERGY: 3312800 744.8583 2100.4593 1918.7529 108.6993 -205837.9576 17488.3842 0.0000 0.0000 34320.9959 -149155.8076 299.7338 -183476.8035 -149058.8127 299.5119 -115.7059 -77.8834 556902.4626 -15.6601 -15.7053 PRESSURE: 3313000 19.779 -17.9942 -73.0652 -17.994 196.276 -165.243 -73.0653 -165.244 -80.3886 GPRESSURE: 3313000 119.129 -18.3176 -91.5566 9.04202 164.028 -59.3299 -32.1183 -142.328 -52.7443 PRESSAVG: 3313000 0.822632 -15.4853 -78.0437 -15.4853 -27.3542 7.35709 -78.0437 7.35708 -16.4873 GPRESSAVG: 3313000 2.72783 -18.6552 -75.3069 -14.8541 -27.5761 8.32699 -78.5332 5.19948 -17.6798 TIMING: 3313000 CPU: 9975, 0.00301289/step Wall: 9975, 0.00301289/step, 1.41188 hours remaining, 207.406250 MB of memory in use. ENERGY: 3313000 729.3489 2119.6929 1932.6611 109.4454 -206102.3509 17815.3821 0.0000 0.0000 34208.9431 -149186.8773 298.7552 -183395.8205 -149094.5043 298.2235 45.2221 76.8043 556580.3798 -14.3396 -14.1760 PRESSURE: 3313200 77.0436 -165.273 27.047 -165.272 -84.4438 -18.1085 27.0471 -18.1082 -131.406 GPRESSURE: 3313200 117.27 -242.62 6.91377 -94.7993 -93.2001 -34.3267 82.1182 -38.7097 -66.0726 PRESSAVG: 3313200 3.85253 35.4538 43.434 35.4537 -58.7516 20.1805 43.4339 20.1804 50.6438 GPRESSAVG: 3313200 2.88503 37.2191 43.0958 34.6996 -58.3361 19.7431 41.3999 21.4965 51.263 TIMING: 3313200 CPU: 9975.6, 0.00299789/step Wall: 9975.6, 0.00299789/step, 1.40468 hours remaining, 207.406250 MB of memory in use. ENERGY: 3313200 735.2950 2129.2595 1914.7642 102.1312 -205984.6950 17643.3808 0.0000 0.0000 34151.9824 -149307.8819 298.2578 -183459.8643 -149211.3231 298.8487 -46.2688 -14.0009 557646.6637 -1.4184 -1.3960 PRESSURE: 3313400 231.409 -137.225 51.3541 -137.224 -206.544 64.8628 51.3542 64.8632 185.196 GPRESSURE: 3313400 248.846 -89.5609 14.8987 -97.6311 -113.503 34.3541 76.6237 -35.1886 167.101 PRESSAVG: 3313400 59.207 2.30964 10.5158 2.30976 5.29827 -39.846 10.5158 -39.8458 -13.4421 GPRESSAVG: 3313400 60.4112 2.0266 9.25868 3.47682 3.88377 -39.9154 13.702 -40.015 -13.5118 TIMING: 3313400 CPU: 9976.2, 0.00301881/step Wall: 9976.2, 0.00301881/step, 1.41431 hours remaining, 207.406250 MB of memory in use. ENERGY: 3313400 757.2130 2097.1008 1915.9713 125.7741 -206032.0721 17660.5568 0.0000 0.0000 34276.3384 -149199.1176 299.3438 -183475.4560 -149105.0822 299.2161 70.0203 100.8147 556407.0287 17.0211 16.9277 PRESSURE: 3313600 -117.361 193.309 -103.932 193.308 -145.258 -53.6705 -103.931 -53.6711 -194.075 GPRESSURE: 3313600 -74.9646 95.614 -50.7407 230.114 -95.9918 -120.218 -108.041 -127.713 -198.231 PRESSAVG: 3313600 -8.48588 22.2764 -33.9048 22.2764 24.8681 2.4829 -33.9046 2.48298 -10.8641 GPRESSAVG: 3313600 -8.77435 21.9088 -30.8884 21.323 25.8681 -0.0143932 -34.0526 3.27848 -11.1214 TIMING: 3313600 CPU: 9976.8, 0.00301117/step Wall: 9976.8, 0.00301117/step, 1.41056 hours remaining, 207.406250 MB of memory in use. ENERGY: 3313600 794.7554 2058.0645 1941.8829 122.7781 -205874.0012 17637.6804 0.0000 0.0000 34271.6837 -149047.1563 299.3031 -183318.8399 -148948.2436 299.1361 -152.2316 -123.0623 558016.8421 1.8394 1.9908 PRESSURE: 3313800 -184.348 45.7927 125.292 45.7929 89.2433 147.058 125.292 147.057 -54.5673 GPRESSURE: 3313800 -108.483 -3.88314 74.4758 114.522 92.1491 227.649 147.075 81.2359 -38.8339 PRESSAVG: 3313800 -8.25328 26.7006 -37.596 26.7006 4.64379 33.6115 -37.596 33.6116 8.61218 GPRESSAVG: 3313800 -8.72819 26.1077 -36.8641 28.9572 4.14553 36.7328 -39.2987 32.1507 9.31633 TIMING: 3313800 CPU: 9977.4, 0.00299603/step Wall: 9977.4, 0.00299603/step, 1.40331 hours remaining, 207.406250 MB of memory in use. ENERGY: 3313800 730.3923 2107.3120 1932.6325 116.8086 -205738.1154 17546.9058 0.0000 0.0000 34436.8006 -148867.2637 300.7451 -183304.0642 -148774.2185 300.3384 -49.8906 -18.3893 556605.5864 1.6676 1.5779 PRESSURE: 3314000 81.3608 -68.5995 -94.6014 -68.5994 -437.222 -84.5543 -94.6016 -84.5529 -23.0327 GPRESSURE: 3314000 128.118 28.4427 -66.4194 -108.578 -364.635 -115.239 -27.8382 -48.9974 -34.9734 PRESSAVG: 3314000 23.7475 -17.5118 -16.9913 -17.5118 6.09578 21.7297 -16.9914 21.7297 20.4503 GPRESSAVG: 3314000 22.7602 -15.6745 -18.8489 -20.3693 7.32517 20.7163 -14.8033 23.459 19.7658 TIMING: 3314000 CPU: 9978, 0.00297879/step Wall: 9978, 0.00297879/step, 1.39507 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: 3314000 777.0240 2154.1365 1931.3561 118.4826 -205418.0408 17490.0436 0.0000 0.0000 34217.8862 -148729.1116 298.8333 -182946.9978 -148634.8117 300.6086 -126.2981 -90.4968 556549.4347 16.7645 16.6171 PRESSURE: 3314200 309.644 154.625 -233.356 154.626 -115.398 -69.6956 -233.355 -69.6966 196.727 GPRESSURE: 3314200 333.212 183.815 -269.891 92.8755 -34.2828 -29.0949 -248.989 -20.9806 194.295 PRESSAVG: 3314200 34.6215 21.1152 -0.339779 21.1153 12.4539 7.8041 -0.339828 7.80404 -52.2506 GPRESSAVG: 3314200 36.3447 20.6484 -1.18026 22.3409 12.1436 10.0232 -1.80926 5.72229 -53.0295 TIMING: 3314200 CPU: 9978.59, 0.0029787/step Wall: 9978.59, 0.0029787/step, 1.39486 hours remaining, 207.609375 MB of memory in use. ENERGY: 3314200 749.6693 2147.6690 1916.0626 106.5956 -206095.6829 17936.8766 0.0000 0.0000 34498.7888 -148740.0210 301.2865 -183238.8098 -148634.9210 301.3755 130.3244 164.4083 557327.5848 -1.7251 -1.5137 PRESSURE: 3314400 210.375 -219.899 107.948 -219.899 -128.019 175.999 107.947 175.998 -177.221 GPRESSURE: 3314400 227.22 -182.676 190.001 -170.73 -62.5697 194.773 132.646 152.99 -145.8 PRESSAVG: 3314400 46.136 31.4484 -65.342 31.4485 -63.0454 -11.4133 -65.342 -11.4134 35.7376 GPRESSAVG: 3314400 45.9672 31.9428 -65.4697 32.0526 -63.6704 -14.403 -64.0788 -11.0886 36.1558 TIMING: 3314400 CPU: 9979.19, 0.00296915/step Wall: 9979.19, 0.00296915/step, 1.39022 hours remaining, 207.609375 MB of memory in use. ENERGY: 3314400 760.9214 2110.6576 1939.5536 127.1999 -205961.7610 17888.7538 0.0000 0.0000 34391.4727 -148743.2021 300.3493 -183134.6748 -148647.4493 300.8612 -31.6218 6.2833 557723.8340 6.2761 6.1508 PRESSURE: 3314600 39.2225 34.9358 261.758 34.9354 138.703 105.645 261.758 105.645 -90.6157 GPRESSURE: 3314600 71.5686 62.3111 338.472 -20.9864 179.222 36.692 229.777 237.515 -58.8735 PRESSAVG: 3314600 -25.3418 15.2019 39.185 15.2018 35.6694 25.7157 39.1851 25.7156 -22.3293 GPRESSAVG: 3314600 -25.586 13.6092 39.4252 13.1553 35.0165 25.8876 38.4689 27.6445 -21.4518 TIMING: 3314600 CPU: 9979.78, 0.00298349/step Wall: 9979.78, 0.00298349/step, 1.39677 hours remaining, 207.609375 MB of memory in use. ENERGY: 3314600 765.1915 2191.1758 1960.7593 115.3799 -205853.5289 17671.1388 0.0000 0.0000 34285.3247 -148864.5588 299.4223 -183149.8835 -148769.2412 300.3342 29.1032 63.9723 557286.7816 -4.0006 -4.0071 PRESSURE: 3314800 -65.3052 49.8667 205.73 49.8678 202.88 46.8016 205.729 46.8011 250.096 GPRESSURE: 3314800 -44.4549 -17.5139 94.5052 10.7729 300.756 75.9455 298.798 108.228 233.659 PRESSAVG: 3314800 -107.042 -16.921 53.059 -16.9209 65.2901 5.95272 53.059 5.95273 20.561 GPRESSAVG: 3314800 -108.214 -18.7375 51.367 -14.304 66.467 7.77511 52.3782 5.44855 20.3407 TIMING: 3314800 CPU: 9980.39, 0.00302531/step Wall: 9980.39, 0.00302531/step, 1.41618 hours remaining, 207.609375 MB of memory in use. ENERGY: 3314800 727.4926 2179.2463 1953.7127 110.9668 -205958.3761 17635.5673 0.0000 0.0000 34482.1137 -148869.2765 301.1409 -183351.3903 -148775.3950 300.3361 129.2234 163.3200 556024.3034 -7.0635 -7.1353 PRESSURE: 3315000 -31.3653 91.3093 -62.4516 91.3098 -68.2088 27.683 -62.4511 27.6836 -146.181 GPRESSURE: 3315000 -3.64826 132.231 -53.5438 82.267 -21.3149 29.5194 -79.6412 25.937 -115.944 PRESSAVG: 3315000 8.38699 45.1658 26.7013 45.1658 -53.0507 17.8936 26.7014 17.8937 39.4001 GPRESSAVG: 3315000 9.45009 45.19 27.8467 43.49 -54.8459 18.8862 27.8052 16.1566 38.9418 TIMING: 3315000 CPU: 9980.99, 0.00301358/step Wall: 9980.99, 0.00301358/step, 1.41052 hours remaining, 207.609375 MB of memory in use. ENERGY: 3315000 795.6947 2139.5481 1916.1045 116.1855 -205847.1160 17576.8471 0.0000 0.0000 34297.8433 -149004.8928 299.5316 -183302.7361 -148910.2095 300.8434 -81.9184 -46.9691 557508.4176 -1.7545 -2.1513 PRESSURE: 3315200 80.4985 48.8289 79.6021 48.8298 -150.515 -227.838 79.6015 -227.838 134.712 GPRESSURE: 3315200 50.5941 3.79996 160.918 28.6889 -81.1575 -136.664 59.2408 -221.505 197.917 PRESSAVG: 3315200 -25.1379 42.7904 -31.2903 42.7903 52.8567 -40.7983 -31.2902 -40.7984 -1.54238 GPRESSAVG: 3315200 -25.8203 43.5326 -30.1957 41.2234 53.5562 -41.4924 -33.3248 -38.7894 -1.69507 TIMING: 3315200 CPU: 9981.59, 0.00298902/step Wall: 9981.59, 0.00298902/step, 1.39886 hours remaining, 207.609375 MB of memory in use. ENERGY: 3315200 763.7879 2110.7023 1911.2248 110.9740 -206171.0654 17907.0891 0.0000 0.0000 34279.9290 -149087.3584 299.3751 -183367.2874 -148991.2414 300.0484 21.5651 55.7845 558046.2942 8.7255 8.6803 PRESSURE: 3315400 -29.113 51.562 -77.7412 51.5603 -67.6872 -11.8871 -77.7429 -11.8872 62.7519 GPRESSURE: 3315400 -24.9133 39.9127 -76.1539 92.6563 -15.1637 36.7388 -38.9593 25.1558 100.553 PRESSAVG: 3315400 -11.1914 -26.5892 -42.2313 -26.5892 26.1941 -45.719 -42.2313 -45.719 -42.172 GPRESSAVG: 3315400 -11.3451 -26.0152 -45.0113 -24.9748 25.7388 -45.6346 -39.2988 -48.1978 -41.7006 TIMING: 3315400 CPU: 9982.19, 0.00301302/step Wall: 9982.19, 0.00301302/step, 1.40993 hours remaining, 207.609375 MB of memory in use. ENERGY: 3315400 702.8121 2138.8779 1947.9235 125.7437 -205886.3995 17472.8477 0.0000 0.0000 34320.1800 -149178.0145 299.7267 -183498.1945 -149085.4414 299.9518 -11.3494 20.1585 555652.7498 -9.0564 -9.1023 PRESSURE: 3315600 -88.1416 -44.7227 105.263 -44.721 -78.6986 -110.328 105.265 -110.327 -184.978 GPRESSURE: 3315600 -61.4126 -131.805 135.086 -82.5608 -2.65389 -87.0267 84.7257 -103.229 -185.382 PRESSAVG: 3315600 15.9898 12.1523 24.6679 12.1524 74.671 48.2155 24.6679 48.2155 -59.132 GPRESSAVG: 3315600 16.3461 12.0502 24.9415 12.5814 74.8455 46.9944 22.996 48.5581 -59.842 TIMING: 3315600 CPU: 9982.8, 0.0030218/step Wall: 9982.8, 0.0030218/step, 1.41387 hours remaining, 207.609375 MB of memory in use. ENERGY: 3315600 772.0269 2108.9173 1959.9048 124.6291 -206072.0164 17697.9186 0.0000 0.0000 34281.2816 -149127.3381 299.3870 -183408.6198 -149023.7615 299.3281 -117.2728 -83.1495 559134.3870 10.5096 10.4499 PRESSURE: 3315800 -124.788 89.3817 9.77199 89.3817 -217.932 164.426 9.77213 164.427 7.63914 GPRESSURE: 3315800 -121.462 110.945 54.9244 144.803 -179.196 180.596 -67.2403 71.6398 74.6718 PRESSAVG: 3315800 -7.57443 8.71845 -31.8416 8.71838 -32.7941 -57.1574 -31.8416 -57.1573 39.2165 GPRESSAVG: 3315800 -7.41732 10.1115 -30.1276 7.51037 -33.6912 -56.2663 -31.932 -56.2777 40.0341 TIMING: 3315800 CPU: 9983.4, 0.00301439/step Wall: 9983.4, 0.00301439/step, 1.41023 hours remaining, 207.609375 MB of memory in use. ENERGY: 3315800 727.2779 2089.7967 1961.9530 104.5139 -205862.3611 17652.5355 0.0000 0.0000 34281.9538 -149044.3303 299.3928 -183326.2841 -148948.4215 299.8723 -111.6933 -75.3287 559421.3379 -0.3840 -0.3582 PRESSURE: 3316000 -100.449 146.697 131.497 146.696 167.576 -92.5795 131.496 -92.5784 68.4729 GPRESSURE: 3316000 -71.1438 151.998 163.316 71.1081 172.742 -75.7777 62.3759 -29.3607 140.658 PRESSAVG: 3316000 -5.90529 42.1362 -14.3038 42.1361 1.27306 -12.3171 -14.3039 -12.3169 -7.3454 GPRESSAVG: 3316000 -5.80895 38.9211 -13.2817 44.419 1.95762 -13.9938 -13.8988 -12.1373 -8.07376 TIMING: 3316000 CPU: 9984, 0.00299514/step Wall: 9984, 0.00299514/step, 1.40106 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: 3316000 719.4739 2118.7877 1915.3730 110.7130 -206202.0307 17818.4376 0.0000 0.0000 34573.8015 -148945.4440 301.9416 -183519.2456 -148845.1221 300.0006 45.1997 80.7521 556802.9870 -3.9925 -3.9750 PRESSURE: 3316200 88.4658 -143.967 126.457 -143.967 151.741 12.5318 126.458 12.5316 -156.347 GPRESSURE: 3316200 95.3796 -133.678 144.115 -89.5207 247.19 -18.9828 37.397 43.2438 -161.796 PRESSAVG: 3316200 32.3776 21.3251 -20.3943 21.325 105.305 36.4691 -20.3942 36.4691 -88.3432 GPRESSAVG: 3316200 31.415 21.3408 -22.8294 21.6792 105.961 37.624 -18.918 36.4522 -88.0789 TIMING: 3316200 CPU: 9984.6, 0.00300553/step Wall: 9984.6, 0.00300553/step, 1.40575 hours remaining, 207.609375 MB of memory in use. ENERGY: 3316200 773.9030 2118.5627 1924.3457 116.5331 -206223.4636 17764.1897 0.0000 0.0000 34477.0648 -149048.8645 301.0968 -183525.9293 -148954.8478 301.1880 27.9534 60.2577 555919.3356 16.4466 16.4323 LDB: ============= START OF LOAD BALANCING ============== 9988.12 LDB: ============== END OF LOAD BALANCING =============== 9988.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9988.12 LDB: ============= START OF LOAD BALANCING ============== 9988.42 LDB: Largest compute 4802 load 0.029364 is 24.9% of average load 0.118119 LDB: Average compute 0.001739 is 1.5% of average load 0.118119 LDB: TIME 9988.43 LOAD: AVG 0.118119 MAX 0.206791 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.223 MB LDB: TIME 9988.43 LOAD: AVG 0.118119 MAX 0.206791 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.426 MB LDB: TIME 9988.43 LOAD: AVG 0.118119 MAX 0.206791 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.426 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9988.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9988.43 PRESSURE: 3316400 7.84988 110.756 -78.0416 110.758 -213.152 131.372 -78.0415 131.372 47.9236 GPRESSURE: 3316400 68.0613 168.665 26.5613 13.0156 -145.901 112.161 -75.3713 113.432 24.809 PRESSAVG: 3316400 -4.00543 -59.1434 52.3949 -59.1433 30.1864 23.5021 52.3949 23.502 -42.6783 GPRESSAVG: 3316400 -3.49601 -55.9706 52.3511 -61.7748 30.0107 20.6742 51.5785 24.1048 -42.6304 TIMING: 3316400 CPU: 9985.21, 0.00307392/step Wall: 9985.21, 0.00307392/step, 1.43757 hours remaining, 210.734375 MB of memory in use. ENERGY: 3316400 759.8752 2109.8500 1931.2710 111.2759 -205865.5827 17512.2453 0.0000 0.0000 34338.5579 -149102.5074 299.8872 -183441.0653 -149013.7959 299.6519 -52.4594 -17.6770 555502.7796 -5.4991 -5.3719 PRESSURE: 3316600 107.952 308.004 -2.43884 308.004 -70.44 -20.8058 -2.43857 -20.8065 -44.0918 GPRESSURE: 3316600 74.2115 285.553 74.7125 332.341 -48.7342 -43.0262 47.0083 1.33494 56.9067 PRESSAVG: 3316600 -0.644471 7.12231 -19.1204 7.12231 -7.37777 32.5667 -19.1204 32.5668 12.8917 GPRESSAVG: 3316600 -0.921449 5.66827 -19.0549 8.33177 -6.94108 34.7795 -18.4456 31.4699 12.7764 TIMING: 3316600 CPU: 9985.81, 0.00299606/step Wall: 9985.81, 0.00299607/step, 1.40099 hours remaining, 210.976562 MB of memory in use. ENERGY: 3316600 786.6343 2068.3944 1922.5266 101.7919 -206049.3999 17820.2464 0.0000 0.0000 34291.1414 -149058.6648 299.4731 -183349.8063 -148959.2228 300.1436 -2.1934 27.4614 556436.6966 1.6231 1.6379 PRESSURE: 3316800 -109.163 -76.9037 37.1295 -76.903 216.443 211.72 37.1294 211.72 108.081 GPRESSURE: 3316800 -47.2818 -97.2762 75.1305 -24.2051 233.263 209.753 90.086 147.826 127.506 PRESSAVG: 3316800 18.7999 19.1497 43.4566 19.1496 -35.8141 9.46483 43.4565 9.46485 22.5989 GPRESSAVG: 3316800 19.9048 19.3666 44.0337 19.7801 -36.1644 9.07367 40.4755 11.107 22.5162 TIMING: 3316800 CPU: 9986.41, 0.00298182/step Wall: 9986.41, 0.00298182/step, 1.39417 hours remaining, 210.976562 MB of memory in use. ENERGY: 3316800 716.7363 2077.0747 1932.7393 111.0240 -206080.9362 17747.5785 0.0000 0.0000 34439.5705 -149056.2129 300.7693 -183495.7834 -148956.5956 299.3902 71.7870 104.4959 555419.2748 1.8616 2.0855 PRESSURE: 3317000 -126.774 146.676 91.0938 146.675 46.2681 4.42884 91.0934 4.42803 -284.445 GPRESSURE: 3317000 -73.1995 105.462 33.5454 118.899 77.1662 32.9429 142.863 52.9695 -278.325 PRESSAVG: 3317000 -40.7992 -25.092 38.1508 -25.092 4.46818 58.6724 38.1508 58.6724 36.1776 GPRESSAVG: 3317000 -40.5999 -25.5701 38.3174 -26.0438 3.44995 60.0658 39.4725 56.4594 36.7571 TIMING: 3317000 CPU: 9987.01, 0.00297602/step Wall: 9987.01, 0.00297602/step, 1.39129 hours remaining, 210.976562 MB of memory in use. ENERGY: 3317000 768.6404 2112.8681 1936.2681 107.3372 -205838.0801 17570.4152 0.0000 0.0000 34252.9759 -149089.5753 299.1398 -183342.5511 -148993.5153 299.8529 -121.6500 -91.4526 556796.3093 -0.0512 -0.1309 PRESSURE: 3317200 21.1964 -57.8042 20.7726 -57.8046 -79.294 -128.754 20.7725 -128.756 13.4986 GPRESSURE: 3317200 95.5314 -4.30158 -60.4972 -53.7048 -67.6798 -162.904 53.0223 -38.8603 22.3383 PRESSAVG: 3317200 22.1492 6.20845 36.5718 6.20848 -12.556 19.3866 36.5719 19.3865 -48.0331 GPRESSAVG: 3317200 23.112 6.95989 36.096 8.49438 -12.0311 17.4324 38.2115 20.5475 -49.5092 TIMING: 3317200 CPU: 9987.6, 0.00299503/step Wall: 9987.6, 0.00299503/step, 1.40001 hours remaining, 210.976562 MB of memory in use. ENERGY: 3317200 732.7958 2084.9153 1940.5620 117.2000 -205987.7621 17675.9078 0.0000 0.0000 34224.0409 -149212.3404 298.8871 -183436.3813 -149111.9257 299.9486 -14.8663 16.7299 556764.8532 -12.8133 -12.8094 PRESSURE: 3317400 92.3965 113.662 -145.962 113.662 29.7474 150.956 -145.963 150.957 -47.0103 GPRESSURE: 3317400 106.898 45.6681 -126.897 147.722 94.9706 155.501 -233.486 146.87 -18.8256 PRESSAVG: 3317400 12.5042 27.9665 -56.7904 27.9665 -10.1276 -23.7319 -56.7905 -23.7319 -1.83143 GPRESSAVG: 3317400 11.1495 26.0216 -57.0307 26.5405 -10.1768 -21.1844 -58.7325 -26.6495 -0.498912 TIMING: 3317400 CPU: 9988.2, 0.00297135/step Wall: 9988.2, 0.00297135/step, 1.38877 hours remaining, 210.976562 MB of memory in use. ENERGY: 3317400 736.8646 2041.2443 1963.3391 108.0544 -206115.8016 17850.4593 0.0000 0.0000 34259.4025 -149156.4374 299.1959 -183415.8399 -149063.8691 299.4373 25.0445 61.0142 557461.0646 0.1817 0.1579 PRESSURE: 3317600 -41.4185 -7.96074 -179.169 -7.96185 -30.0872 9.5795 -179.17 9.57919 -126.699 GPRESSURE: 3317600 59.8143 40.0117 -100.361 -53.3591 -29.4421 -18.986 -191.175 84.156 -127.517 PRESSAVG: 3317600 79.7611 25.3038 6.79355 25.3038 -52.6118 2.37303 6.79366 2.373 -25.8629 GPRESSAVG: 3317600 80.475 29.4028 7.36376 24.1408 -52.8542 0.842907 8.24405 5.44896 -26.0683 TIMING: 3317600 CPU: 9988.79, 0.00297994/step Wall: 9988.79, 0.00297994/step, 1.39263 hours remaining, 210.976562 MB of memory in use. ENERGY: 3317600 751.8721 2116.2941 1928.8319 121.2256 -205951.2300 17601.1746 0.0000 0.0000 34321.4961 -149110.3356 299.7382 -183431.8317 -149013.5183 299.5080 -66.0682 -32.3817 557630.8404 0.4288 0.5175 PRESSURE: 3317800 5.58576 3.36504 -303.276 3.36443 -350.35 -88.2039 -303.277 -88.2046 -412.66 GPRESSURE: 3317800 -24.6908 18.103 -176.452 30.3237 -240.511 -86.8169 -336.592 -55.9781 -400.871 PRESSAVG: 3317800 98.7747 16.5105 -33.9589 16.5104 -48.259 -0.507896 -33.959 -0.507998 -30.972 GPRESSAVG: 3317800 98.2791 15.0023 -34.2715 16.2295 -48.708 0.0984181 -33.8054 -1.77734 -30.0583 TIMING: 3317800 CPU: 9989.39, 0.00298488/step Wall: 9989.39, 0.00298488/step, 1.39477 hours remaining, 210.976562 MB of memory in use. ENERGY: 3317800 783.4719 2098.3462 1952.3564 122.8668 -205714.0578 17550.1784 0.0000 0.0000 34359.5112 -148847.3269 300.0702 -183206.8380 -148751.8061 299.8270 -252.4746 -222.0245 559290.9383 6.5146 6.5043 PRESSURE: 3318000 -30.7013 115.489 30.1936 115.489 -70.8174 -42.4251 30.193 -42.4266 -108.14 GPRESSURE: 3318000 -28.3301 108.798 -3.55694 38.6912 1.46429 -99.7796 53.4199 67.3824 -81.9586 PRESSAVG: 3318000 -63.4284 -25.2433 -29.6487 -25.2433 64.0384 58.1993 -29.6486 58.1992 10.9477 GPRESSAVG: 3318000 -65.185 -27.0766 -28.7849 -23.2149 66.0113 59.3032 -28.9079 58.8863 11.3172 TIMING: 3318000 CPU: 9989.99, 0.00298663/step Wall: 9989.99, 0.00298663/step, 1.39542 hours remaining, 210.976562 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: 3318000 759.2035 2056.0020 1950.9836 122.6028 -205795.5836 17669.8649 0.0000 0.0000 34477.8682 -148759.0586 301.1038 -183236.9269 -148668.0671 300.4876 -69.8863 -36.2748 558454.0953 3.8526 4.0479 PRESSURE: 3318200 138.232 12.1587 -47.4784 12.1584 25.4215 -68.047 -47.4785 -68.0459 43.6629 GPRESSURE: 3318200 161.47 8.65458 -84.019 83.0987 31.4909 -27.1572 14.7006 -67.7985 105.94 PRESSAVG: 3318200 -28.7645 13.4108 -17.968 13.4108 -14.9789 18.4254 -17.9679 18.4254 39.3374 GPRESSAVG: 3318200 -26.456 13.9304 -17.9664 12.5349 -15.4687 16.3782 -19.3031 18.3368 37.1463 TIMING: 3318200 CPU: 9990.58, 0.00296466/step Wall: 9990.58, 0.00296466/step, 1.38499 hours remaining, 210.976562 MB of memory in use. ENERGY: 3318200 755.4001 2075.4290 1966.7414 114.6983 -206196.6825 17904.1791 0.0000 0.0000 34593.3394 -148786.8952 302.1122 -183380.2346 -148691.6613 300.5009 69.1056 99.6338 557071.7702 -1.4686 -1.5928 PRESSURE: 3318400 23.2653 47.2921 84.1353 47.292 -128.415 -44.2937 84.1355 -44.2946 -142.449 GPRESSURE: 3318400 27.6553 41.5914 139.77 60.4469 -146.716 -67.5086 69.0855 -56.9587 -27.2441 PRESSAVG: 3318400 15.6816 -18.7142 -40.2308 -18.7141 -64.4785 0.463258 -40.2309 0.463231 27.8307 GPRESSAVG: 3318400 15.6191 -17.6163 -41.411 -19.62 -66.0987 -1.00291 -38.4809 1.3457 29.1026 TIMING: 3318400 CPU: 9991.18, 0.00298134/step Wall: 9991.18, 0.00298134/step, 1.39262 hours remaining, 210.976562 MB of memory in use. ENERGY: 3318400 747.2086 2100.6133 1916.7419 101.1544 -205720.3162 17668.9187 0.0000 0.0000 34484.3708 -148701.3085 301.1606 -183185.6794 -148597.4725 300.2898 -82.5328 -48.7683 559977.2119 -6.9887 -7.1257 PRESSURE: 3318600 133.704 169.761 -67.7739 169.761 -73.573 2.71452 -67.7747 2.71323 -125.127 GPRESSURE: 3318600 121.814 195.884 -70.8087 68.3578 -5.94018 -30.4804 -73.7752 -105.861 -86.9326 PRESSAVG: 3318600 35.5867 62.9601 1.06751 62.9601 16.0605 -43.9604 1.06741 -43.9604 -61.9392 GPRESSAVG: 3318600 35.8655 62.875 1.71347 61.5919 17.0019 -41.2495 -0.974507 -46.4771 -62.6146 TIMING: 3318600 CPU: 9991.78, 0.00298416/step Wall: 9991.78, 0.00298416/step, 1.39377 hours remaining, 210.976562 MB of memory in use. ENERGY: 3318600 737.6823 2125.8636 1957.9511 107.5244 -205615.1459 17710.8517 0.0000 0.0000 34254.9888 -148720.2839 299.1573 -182975.2728 -148624.6210 301.0126 -21.6654 9.6472 558177.4661 -3.4307 -3.2491 PRESSURE: 3318800 45.7894 -148.911 -1.04953 -148.911 0.502671 42.3202 -1.04847 42.3205 -265.609 GPRESSURE: 3318800 93.2714 -35.9212 -58.7604 -169.909 -17.446 81.3401 -18.1773 10.7572 -189.961 PRESSAVG: 3318800 86.0995 22.5092 2.48474 22.5093 -55.6011 -55.3242 2.48483 -55.3243 -42.1369 GPRESSAVG: 3318800 85.0412 20.736 4.02067 25.1123 -55.4062 -55.2935 4.00782 -55.5201 -42.0705 TIMING: 3318800 CPU: 9992.37, 0.00299113/step Wall: 9992.37, 0.00299113/step, 1.39686 hours remaining, 210.976562 MB of memory in use. ENERGY: 3318800 776.6951 2077.9226 1954.9318 108.9089 -205754.5212 17509.9180 0.0000 0.0000 34605.5776 -148720.5672 302.2191 -183326.1448 -148630.5170 301.0126 -73.1056 -38.0452 557053.8225 -3.8795 -4.1452 PRESSURE: 3319000 -13.2703 -147.985 90.2065 -147.983 -116.665 34.2173 90.2072 34.2172 -187.637 GPRESSURE: 3319000 -38.7511 -63.1013 41.7078 -124.187 -56.9755 -20.5929 119.004 62.808 -125.905 PRESSAVG: 3319000 47.9921 5.34975 -9.96287 5.34979 -38.306 -11.4504 -9.96294 -11.4505 -29.823 GPRESSAVG: 3319000 48.3399 4.77755 -10.3236 5.27203 -38.5709 -10.1206 -10.2878 -11.8388 -29.8671 TIMING: 3319000 CPU: 9992.97, 0.0029975/step Wall: 9992.97, 0.0029975/step, 1.39967 hours remaining, 210.976562 MB of memory in use. ENERGY: 3319000 730.1631 2081.1072 1958.4460 119.0985 -205820.7649 17684.9484 0.0000 0.0000 34393.3410 -148853.6606 300.3656 -183247.0017 -148759.1490 300.8620 -105.8574 -73.8773 558417.4121 -6.7123 -6.6994 PRESSURE: 3319200 -193.711 88.2179 147.003 88.2211 16.4291 47.9096 147.001 47.9095 -130.915 GPRESSURE: 3319200 -136.527 106.065 122.231 74.1015 44.739 84.4174 144.86 41.2237 -125.931 PRESSAVG: 3319200 -9.3367 -13.1934 58.1303 -13.1934 -11.717 35.2834 58.1302 35.2833 -13.5532 GPRESSAVG: 3319200 -9.82606 -13.4774 56.0859 -14.0705 -11.1049 36.6508 59.0353 34.7982 -13.653 TIMING: 3319200 CPU: 9993.57, 0.00300475/step Wall: 9993.57, 0.00300475/step, 1.40288 hours remaining, 210.976562 MB of memory in use. ENERGY: 3319200 759.3823 2083.9661 1935.5272 121.3606 -205516.5059 17527.7235 0.0000 0.0000 34341.5224 -148747.0238 299.9131 -183088.5462 -148646.2570 300.5609 -102.7323 -72.5732 557328.4176 -11.5356 -11.5280 PRESSURE: 3319400 -74.9133 22.7818 -18.1965 22.7825 -80.066 -61.7826 -18.1961 -61.7832 -242.03 GPRESSURE: 3319400 -28.9804 52.2401 -13.2925 -7.98221 -37.7732 -119.887 -47.7205 -31.0161 -238.645 PRESSAVG: 3319400 28.1228 -19.0579 -2.87984 -19.0579 55.3436 27.3358 -2.8799 27.3359 -64.8074 GPRESSAVG: 3319400 29.4695 -17.1298 -2.55733 -18.8149 54.7403 23.0881 -4.02064 29.784 -64.6134 TIMING: 3319400 CPU: 9994.17, 0.00300243/step Wall: 9994.17, 0.00300243/step, 1.40164 hours remaining, 210.976562 MB of memory in use. ENERGY: 3319400 744.0752 2106.9053 1925.0314 104.7186 -205946.7713 17604.6329 0.0000 0.0000 34541.6861 -148919.7219 301.6611 -183461.4080 -148828.3142 301.0252 -132.3365 -101.7996 558119.3730 6.2196 6.5321 PRESSURE: 3319600 -105.274 -70.1631 -6.99442 -70.1625 114.133 154.836 -6.99504 154.837 2.76351 GPRESSURE: 3319600 -91.1798 -100.346 7.94808 64.8891 216.093 150.274 -7.38636 161.558 -18.9298 PRESSAVG: 3319600 60.7665 12.5381 -77.3987 12.5381 37.259 -13.56 -77.3986 -13.56 -75.8782 GPRESSAVG: 3319600 59.2454 11.1777 -75.0709 12.685 38.0469 -13.3391 -77.0607 -12.5655 -75.5159 TIMING: 3319600 CPU: 9994.77, 0.00297743/step Wall: 9994.77, 0.00297743/step, 1.3898 hours remaining, 210.976562 MB of memory in use. ENERGY: 3319600 722.1159 2160.4393 1954.4069 108.1866 -206305.7243 17838.9240 0.0000 0.0000 34681.8574 -148839.7942 302.8853 -183521.6515 -148738.3004 300.8305 3.8743 35.3277 556531.7138 7.3824 7.2588 PRESSURE: 3319800 -99.5869 152.29 66.8497 152.29 5.76427 -128.766 66.8501 -128.763 65.35 GPRESSURE: 3319800 -34.2878 114.584 -40.4101 209.759 4.41565 -173.102 149.778 -109.246 98.8793 PRESSAVG: 3319800 4.78249 -14.5018 -5.92928 -14.5018 74.5771 34.783 -5.92925 34.7831 -69.6663 GPRESSAVG: 3319800 7.24491 -13.9673 -7.97324 -14.5381 73.8273 35.1461 -4.23814 32.9927 -71.0346 TIMING: 3319800 CPU: 9995.37, 0.00297915/step Wall: 9995.37, 0.00297915/step, 1.39043 hours remaining, 210.976562 MB of memory in use. ENERGY: 3319800 750.7146 2143.0826 1970.6814 109.0975 -205930.9642 17838.3606 0.0000 0.0000 34205.6980 -148913.3296 298.7269 -183119.0275 -148817.4582 300.6764 -9.4909 23.0024 558594.2122 3.2311 3.3459 PRESSURE: 3320000 -184.021 -54.5491 6.13345 -54.5489 173.961 76.3072 6.13198 76.308 -52.3775 GPRESSURE: 3320000 -110.969 -122.319 -66.4229 15.4974 210.323 148.112 44.1934 106.924 -65.4969 PRESSAVG: 3320000 12.5405 11.5765 -19.0415 11.5764 26.8741 -52.3905 -19.0415 -52.3905 -55.6625 GPRESSAVG: 3320000 10.8632 12.2079 -21.0705 11.1844 27.0966 -50.0226 -19.3067 -51.8258 -53.6684 TIMING: 3320000 CPU: 9995.96, 0.00299471/step Wall: 9995.96, 0.00299471/step, 1.39753 hours remaining, 210.976562 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: 3320000 715.0235 2101.6093 1924.5582 108.7509 -206076.6064 17706.5301 0.0000 0.0000 34342.6452 -149177.4892 299.9229 -183520.1344 -149081.8606 299.5141 -20.8127 11.2858 556897.6350 -5.4160 -5.2362 PRESSURE: 3320200 245.506 -31.5856 187.244 -31.5841 58.0939 42.6515 187.244 42.6524 64.3907 GPRESSURE: 3320200 264.671 12.7133 129.66 -80.244 72.8413 56.1692 205.82 102.338 133.074 PRESSAVG: 3320200 -21.5997 -15.0837 7.13026 -15.0836 55.5997 -13.9067 7.13029 -13.9068 7.75425 GPRESSAVG: 3320200 -21.3447 -16.2455 9.16022 -14.4533 55.8831 -15.1865 6.51846 -14.0363 7.30619 TIMING: 3320200 CPU: 9996.57, 0.00300507/step Wall: 9996.57, 0.00300507/step, 1.4022 hours remaining, 210.976562 MB of memory in use. ENERGY: 3320200 749.8069 2068.0135 1930.3323 105.6197 -206262.0848 17903.1664 0.0000 0.0000 34445.9570 -149059.1889 300.8251 -183505.1459 -148968.8265 299.8267 122.6634 156.8621 555736.5423 13.9181 13.9482 LDB: ============= START OF LOAD BALANCING ============== 10000.1 LDB: ============== END OF LOAD BALANCING =============== 10000.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10000.1 LDB: ============= START OF LOAD BALANCING ============== 10000.4 LDB: Largest compute 4802 load 0.029322 is 24.8% of average load 0.118100 LDB: Average compute 0.001747 is 1.5% of average load 0.118100 LDB: TIME 10000.4 LOAD: AVG 0.1181 MAX 0.204927 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.969 MB LDB: TIME 10000.4 LOAD: AVG 0.1181 MAX 0.204927 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.172 MB LDB: TIME 10000.4 LOAD: AVG 0.1181 MAX 0.204927 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.172 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10000.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10000.4 PRESSURE: 3320400 -236.845 -139.625 3.93519 -139.626 -150.775 -193.074 3.93469 -193.075 -168.427 GPRESSURE: 3320400 -233.082 -124.624 21.6235 -186.825 -107.095 -56.7074 -5.02333 -323.168 -120.509 PRESSAVG: 3320400 81.3471 -58.8211 -14.3098 -58.8212 0.893165 4.77436 -14.3098 4.77441 -62.6595 GPRESSAVG: 3320400 81.8317 -58.5293 -12.7667 -58.96 1.50941 5.11542 -15.344 6.05913 -63.2189 TIMING: 3320400 CPU: 9997.17, 0.00302206/step Wall: 9997.17, 0.00302206/step, 1.40996 hours remaining, 210.339844 MB of memory in use. ENERGY: 3320400 761.9694 2090.1871 1934.2235 112.4850 -206122.0299 17617.1583 0.0000 0.0000 34424.7310 -149181.2756 300.6397 -183606.0066 -149078.7076 299.7962 -185.3491 -153.5621 557769.1660 6.5269 6.7074 PRESSURE: 3320600 -215.471 149.34 -26.3015 149.339 -292.741 61.4517 -26.3014 61.4526 23.1673 GPRESSURE: 3320600 -219.793 204.446 -22.4765 74.4671 -234.416 1.17477 11.2967 -21.0956 80.5091 PRESSAVG: 3320600 34.9688 -3.27216 2.18407 -3.27215 -48.1591 -9.21657 2.18402 -9.21667 9.68924 GPRESSAVG: 3320600 35.1064 -2.66189 2.05262 -3.49946 -48.0959 -9.13811 3.46177 -10.1713 9.48268 TIMING: 3320600 CPU: 9997.76, 0.00296064/step Wall: 9997.76, 0.00296064/step, 1.38114 hours remaining, 210.542969 MB of memory in use. ENERGY: 3320600 796.0909 2077.5233 1927.5365 110.9382 -206142.2405 17730.4188 0.0000 0.0000 34290.6354 -149209.0974 299.4686 -183499.7329 -149111.9561 299.7272 -161.6817 -124.5665 557179.0954 -1.1670 -1.1689 PRESSURE: 3320800 164.821 -10.144 -97.8263 -10.145 42.727 58.3058 -97.8269 58.3059 -159.125 GPRESSURE: 3320800 191.946 66.5401 -190.216 -88.5955 27.1404 54.1219 -140.612 113.036 -79.0309 PRESSAVG: 3320800 77.4444 48.538 -10.6327 48.538 -64.667 14.667 -10.6328 14.6669 -13.0264 GPRESSAVG: 3320800 77.0059 47.8635 -11.9304 49.4275 -64.4544 15.2865 -10.653 13.7358 -12.6677 TIMING: 3320800 CPU: 9998.36, 0.00296589/step Wall: 9998.36, 0.00296589/step, 1.38342 hours remaining, 210.542969 MB of memory in use. ENERGY: 3320800 746.5964 2084.9339 1978.7137 103.0215 -206052.9521 17847.5026 0.0000 0.0000 34036.4776 -149255.7063 297.2490 -183292.1840 -149157.8368 300.2777 16.1412 46.6852 557955.2273 -0.0830 -0.0388 PRESSURE: 3321000 -128.311 200.367 -12.7495 200.366 -0.842136 54.8371 -12.7486 54.8344 60.7341 GPRESSURE: 3321000 -90.471 116.885 -56.3145 192.809 2.65013 64.8806 60.9033 74.3226 121.167 PRESSAVG: 3321000 46.9262 4.07525 31.7612 4.0753 15.5565 -17.6043 31.7612 -17.6042 -50.6135 GPRESSAVG: 3321000 46.9401 4.13151 34.3934 2.2801 16.1402 -17.9583 30.1246 -16.9556 -51.1323 TIMING: 3321000 CPU: 9998.96, 0.00301227/step Wall: 9998.96, 0.00301227/step, 1.40489 hours remaining, 210.542969 MB of memory in use. ENERGY: 3321000 753.8464 2052.9790 1927.2548 97.9060 -206327.5686 17787.7029 0.0000 0.0000 34328.0096 -149379.8700 299.7950 -183707.8796 -149284.1721 299.4039 -22.8065 11.1154 556247.3187 3.9564 3.9827 PRESSURE: 3321200 103.21 -43.545 -67.926 -43.5455 -115.491 -70.0114 -67.9262 -70.0133 -133.861 GPRESSURE: 3321200 132.561 -9.59824 -6.48416 -17.1679 -83.5596 -168.297 -52.8716 -90.6792 -107.778 PRESSAVG: 3321200 -26.6049 20.9607 -5.836 20.9607 -44.8342 28.2805 -5.83607 28.2806 72.4127 GPRESSAVG: 3321200 -26.5041 21.9666 -7.7358 22.1785 -46.1274 27.9863 -6.01195 27.4976 73.4158 TIMING: 3321200 CPU: 9999.55, 0.00297689/step Wall: 9999.55, 0.00297689/step, 1.38822 hours remaining, 210.542969 MB of memory in use. ENERGY: 3321200 722.3647 2056.0267 1930.4943 117.8911 -205866.6120 17619.6626 0.0000 0.0000 34118.0000 -149302.1727 297.9610 -183420.1728 -149197.7979 299.3357 -48.7138 -19.5925 556329.9533 0.3245 0.2614 PRESSURE: 3321400 -44.6536 237.315 14.75 237.316 -222.766 19.3173 14.7509 19.3173 -133.082 GPRESSURE: 3321400 -8.35807 190.768 103.147 150.583 -209.384 93.6365 62.5151 -24.8476 -93.8172 PRESSAVG: 3321400 48.4158 55.0608 -9.24122 55.0609 -12.2584 29.0066 -9.24122 29.0066 -40.5729 GPRESSAVG: 3321400 48.8083 53.4968 -8.87648 55.7433 -12.2719 27.0694 -7.53961 28.7974 -41.2653 TIMING: 3321400 CPU: 10000.2, 0.0029882/step Wall: 10000.2, 0.0029882/step, 1.39333 hours remaining, 210.542969 MB of memory in use. ENERGY: 3321400 771.2558 2079.0983 1943.1925 107.8483 -206242.7156 17776.7926 0.0000 0.0000 34194.3765 -149370.1514 298.6280 -183564.5279 -149271.4068 299.0804 -133.5005 -103.8530 557038.3102 -1.4718 -1.5763 PRESSURE: 3321600 63.5942 -76.6999 -61.8839 -76.7006 -11.4052 -30.9636 -61.8858 -30.9641 -201.639 GPRESSURE: 3321600 134.215 -52.8059 -52.4164 -69.8288 -17.3958 20.5554 -97.2638 -43.4953 -164.893 PRESSAVG: 3321600 92.215 54.3958 14.645 54.3958 -22.651 21.6171 14.6449 21.6171 -66.955 GPRESSAVG: 3321600 92.5385 54.9912 15.7971 54.8271 -22.4387 23.9629 12.508 22.0328 -67.6901 TIMING: 3321600 CPU: 10000.7, 0.00297774/step Wall: 10000.7, 0.00297774/step, 1.38829 hours remaining, 210.542969 MB of memory in use. ENERGY: 3321600 747.5716 2025.4753 1961.6162 110.3500 -206018.2166 17842.9115 0.0000 0.0000 34077.5383 -149252.7537 297.6076 -183330.2920 -149154.6166 298.6906 -49.8167 -16.0248 557941.1254 0.8697 0.8032 PRESSURE: 3321800 -125.114 -42.6125 -63.8941 -42.614 -26.7738 62.1039 -63.8931 62.103 -163.904 GPRESSURE: 3321800 -93.4667 59.947 -66.9871 -40.4848 -28.1471 44.4404 -21.3624 18.8842 -94.2061 PRESSAVG: 3321800 -19.9543 15.6048 -22.8528 15.6048 5.68952 -7.17559 -22.8529 -7.17558 -17.3254 GPRESSAVG: 3321800 -20.8736 18.3191 -24.6039 13.6372 5.86157 -7.35163 -21.0268 -7.5373 -16.2987 TIMING: 3321800 CPU: 10001.3, 0.0029966/step Wall: 10001.3, 0.0029966/step, 1.39692 hours remaining, 210.542969 MB of memory in use. ENERGY: 3321800 765.8804 2076.6783 1945.7547 114.0166 -206423.3831 17799.8684 0.0000 0.0000 34238.9644 -149482.2204 299.0174 -183721.1847 -149391.5874 299.7471 -105.2636 -71.9400 558214.8803 -10.5301 -10.4369 PRESSURE: 3322000 -135.388 7.72788 -15.6495 7.72898 -320.067 -180.623 -15.6496 -180.622 -44.8245 GPRESSURE: 3322000 -71.9032 -64.7074 61.9633 25.6517 -302.733 -210.837 -76.6327 -116.129 -12.6548 PRESSAVG: 3322000 53.9553 26.2678 -3.0612 26.2676 -35.4421 12.316 -3.06108 12.3161 -6.14337 GPRESSAVG: 3322000 53.8851 22.2546 -1.10634 28.4572 -36.3099 12.4635 -3.68178 11.5917 -5.3696 TIMING: 3322000 CPU: 10001.9, 0.00300279/step Wall: 10001.9, 0.00300279/step, 1.39964 hours remaining, 210.671875 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: 3322000 779.4816 2045.2417 1943.8107 118.6111 -206007.9110 17569.0963 0.0000 0.0000 34099.6653 -149452.0042 297.8009 -183551.6695 -149355.6760 298.6336 -166.7596 -129.0969 557617.7555 4.1233 4.0685 PRESSURE: 3322200 -35.4356 -118.341 57.8381 -118.341 -58.7515 -10.125 57.8373 -10.1244 -116.475 GPRESSURE: 3322200 40.4725 -63.5741 -45.2806 -60.2157 -29.5464 34.2203 198.887 -60.4484 -139.076 PRESSAVG: 3322200 21.1878 8.73766 -13.6732 8.73764 84.9597 11.3092 -13.6732 11.3092 -63.7059 GPRESSAVG: 3322200 21.9995 10.9364 -15.0466 8.80413 84.9402 11.0005 -13.5208 10.0559 -65.1411 TIMING: 3322200 CPU: 10002.5, 0.002995/step Wall: 10002.5, 0.002995/step, 1.39584 hours remaining, 210.671875 MB of memory in use. ENERGY: 3322200 753.9555 2056.4721 1927.0888 106.8324 -206482.5782 17904.9417 0.0000 0.0000 34341.6047 -149391.6830 299.9138 -183733.2877 -149290.1878 298.5562 -70.2206 -42.7166 556593.1673 14.1472 13.9328 PRESSURE: 3322400 11.9686 -8.32657 -3.90109 -8.32811 -141.301 -104.072 -3.90066 -104.074 269.49 GPRESSURE: 3322400 43.5197 -10.5489 9.50204 46.2679 -72.2321 -66.6418 -109.485 -80.0024 257.966 PRESSAVG: 3322400 11.5983 -1.51164 -14.3403 -1.51157 -42.3613 -30.6538 -14.3403 -30.6538 -29.9104 GPRESSAVG: 3322400 10.4896 -1.41636 -13.6875 -2.24204 -42.4797 -30.0616 -15.1868 -28.7484 -28.9991 TIMING: 3322400 CPU: 10003.1, 0.00298689/step Wall: 10003.1, 0.00298689/step, 1.39189 hours remaining, 210.671875 MB of memory in use. ENERGY: 3322400 788.3482 2077.4496 1944.1471 117.6932 -206335.0237 17961.1812 0.0000 0.0000 34160.7139 -149285.4905 298.3340 -183446.2043 -149192.3053 299.3166 46.7192 76.4178 557285.9139 -20.2245 -20.3297 PRESSURE: 3322600 -52.7519 0.165661 -115.918 0.165806 -52.7242 104.244 -115.918 104.242 -171.205 GPRESSURE: 3322600 -52.1503 107.899 -179.848 -103.838 -4.47923 110.056 -47.6965 84.2648 -117.047 PRESSAVG: 3322600 -4.43008 30.0612 -12.2941 30.0613 4.43185 -11.1078 -12.2942 -11.1077 36.6683 GPRESSAVG: 3322600 -4.33063 27.8735 -11.2476 29.5036 5.11191 -14.3265 -12.5271 -9.38127 35.9713 TIMING: 3322600 CPU: 10003.7, 0.0029665/step Wall: 10003.7, 0.0029665/step, 1.38223 hours remaining, 210.703125 MB of memory in use. ENERGY: 3322600 736.0141 2013.5788 1973.6698 117.5085 -206039.9129 17655.9806 0.0000 0.0000 34122.0349 -149421.1262 297.9962 -183543.1611 -149330.2329 299.4335 -92.2270 -57.8923 558029.2858 12.2234 12.2509 PRESSURE: 3322800 -410.499 -102.512 25.9632 -102.512 -50.627 1.85538 25.9637 1.85455 -64.5972 GPRESSURE: 3322800 -375.338 -47.8879 -32.3395 -92.7421 -15.8345 67.7599 12.1411 -10.5148 -42.8971 PRESSAVG: 3322800 74.81 6.96156 -42.6158 6.9615 5.84443 -10.5897 -42.6158 -10.5898 -55.1623 GPRESSAVG: 3322800 74.6072 7.71796 -43.5612 7.3944 6.9903 -8.88796 -41.7909 -12.9292 -55.1986 TIMING: 3322800 CPU: 10004.3, 0.00296394/step Wall: 10004.3, 0.00296394/step, 1.38087 hours remaining, 210.703125 MB of memory in use. ENERGY: 3322800 734.6599 2007.4869 1926.5181 126.7597 -205802.8068 17568.4914 0.0000 0.0000 34099.1375 -149339.7532 297.7962 -183438.8907 -149235.3659 298.6021 -175.2412 -144.6897 559247.9847 8.4974 8.7996 PRESSURE: 3323000 -66.8602 115.913 -141.38 115.914 -191.924 -8.4166 -141.379 -8.41605 326.947 GPRESSURE: 3323000 -47.0988 57.5038 -115.808 67.4472 -137.747 -61.498 -189.49 44.7105 357.266 PRESSAVG: 3323000 -31.4784 33.3949 -21.0431 33.3949 -21.4144 3.64243 -21.0431 3.64253 36.9375 GPRESSAVG: 3323000 -31.0906 32.8948 -20.2235 33.393 -23.1492 3.82098 -23.4356 4.82489 39.3137 TIMING: 3323000 CPU: 10004.9, 0.00305373/step Wall: 10004.9, 0.00305372/step, 1.42253 hours remaining, 210.703125 MB of memory in use. ENERGY: 3323000 769.9910 2119.1867 1955.6269 126.1383 -206110.8167 17844.0715 0.0000 0.0000 33929.8949 -149365.9075 296.3182 -183295.8024 -149267.0355 298.5373 22.7210 57.4733 558565.7713 -5.3184 -4.9754 PRESSURE: 3323200 -141.617 -43.2016 -51.6244 -43.2019 -268.801 133.912 -51.6235 133.911 -71.3717 GPRESSURE: 3323200 -143.898 -0.487024 -12.1719 -65.8622 -236.833 93.9363 -96.4359 97.3596 -2.63392 PRESSAVG: 3323200 -5.46412 51.1513 -12.3992 51.1513 -36.4565 -3.5022 -12.3993 -3.50218 27.3691 GPRESSAVG: 3323200 -4.42104 52.2008 -11.7998 48.081 -35.1873 -1.05397 -11.6714 -5.36815 25.5246 TIMING: 3323200 CPU: 10005.5, 0.00301882/step Wall: 10005.5, 0.00301882/step, 1.4061 hours remaining, 210.703125 MB of memory in use. ENERGY: 3323200 756.3870 2087.4167 1946.7184 120.1295 -206281.5189 17674.2300 0.0000 0.0000 34290.8457 -149405.7917 299.4705 -183696.6374 -149304.6769 298.7094 -160.5968 -127.7884 558110.2525 -4.8505 -4.6946 PRESSURE: 3323400 -143.277 39.4186 9.65292 39.4198 -1.48409 29.9108 9.65295 29.9134 -39.305 GPRESSURE: 3323400 -135.037 96.3418 14.0299 -61.8583 40.9046 25.2152 -50.1353 -73.9061 4.53377 PRESSAVG: 3323400 8.63658 12.4365 -6.30515 12.4365 -53.8852 -26.562 -6.3052 -26.562 50.6629 GPRESSAVG: 3323400 8.94966 13.6085 -6.53032 13.6598 -55.1724 -27.5786 -5.68791 -25.2197 52.249 TIMING: 3323400 CPU: 10006.1, 0.00300826/step Wall: 10006.1, 0.00300826/step, 1.40101 hours remaining, 210.703125 MB of memory in use. ENERGY: 3323400 754.7296 2068.7515 1933.0369 113.0463 -206218.0077 17779.3512 0.0000 0.0000 34199.1675 -149369.9248 298.6698 -183569.0922 -149273.4980 299.2430 -61.3555 -29.8661 557515.4035 1.8048 2.0088 PRESSURE: 3323600 -53.8403 18.4765 7.53501 18.4764 -44.96 84.6965 7.53492 84.6985 12.6069 GPRESSURE: 3323600 -28.4989 5.37834 -47.3988 -45.8887 -50.0676 53.2106 -29.4959 71.425 102.561 PRESSAVG: 3323600 34.9331 5.74221 -9.74568 5.74214 -39.2892 7.59282 -9.7457 7.59289 6.88965 GPRESSAVG: 3323600 34.2028 5.28426 -9.65285 6.61193 -37.9399 6.11144 -9.03672 7.06077 6.13333 TIMING: 3323600 CPU: 10006.7, 0.00301196/step Wall: 10006.7, 0.00301196/step, 1.40257 hours remaining, 210.703125 MB of memory in use. ENERGY: 3323600 720.3614 2111.0905 1941.8798 94.0640 -206454.4651 17796.2077 0.0000 0.0000 34326.4535 -149464.4082 299.7815 -183790.8617 -149368.5486 298.9724 -28.7311 7.9982 558488.3374 0.8445 0.7987 PRESSURE: 3323800 143.617 108.37 0.833102 108.37 -52.3233 -135.511 0.832862 -135.508 -83.455 GPRESSURE: 3323800 183.124 102.653 -37.5868 37.0137 -48.2178 -191.231 66.4839 -166.504 -16.7846 PRESSAVG: 3323800 -3.75805 33.762 11.7265 33.7621 -1.44895 -4.61239 11.7264 -4.61244 7.20232 GPRESSAVG: 3323800 -2.31174 33.7526 11.1145 33.1766 -2.20236 -4.18149 11.1969 -4.02922 7.05806 TIMING: 3323800 CPU: 10007.3, 0.00298816/step Wall: 10007.3, 0.00298816/step, 1.39132 hours remaining, 210.703125 MB of memory in use. ENERGY: 3323800 731.5004 2055.1400 1939.6130 112.8402 -206186.8570 17705.5014 0.0000 0.0000 34135.7054 -149506.5566 298.1156 -183642.2620 -149415.9122 298.1285 2.6128 39.3737 557874.5250 0.6651 0.8480 PRESSURE: 3324000 269.937 -82.2796 25.6693 -82.2797 69.274 -149.513 25.67 -149.515 -153.036 GPRESSURE: 3324000 307.238 -142.907 86.0738 -73.2756 78.0429 -172.107 -34.1194 -141.681 -95.5387 PRESSAVG: 3324000 35.7149 -12.7704 25.1315 -12.7704 -2.22126 -7.75025 25.1314 -7.75026 -9.28555 GPRESSAVG: 3324000 35.3184 -14.8688 25.8519 -10.8617 -2.67856 -5.58798 24.6961 -9.66872 -8.07992 TIMING: 3324000 CPU: 10008, 0.00302721/step Wall: 10008, 0.00302721/step, 1.40934 hours remaining, 210.703125 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: 3324000 731.7421 2064.5120 1922.4990 124.7541 -206698.1253 17953.4850 0.0000 0.0000 34348.8610 -149552.2719 299.9771 -183901.1330 -149459.2381 298.0235 62.0582 96.5809 556715.4592 8.0694 8.1866 PRESSURE: 3324200 -56.9399 -118.329 43.9126 -118.328 -62.893 -19.1813 43.9129 -19.1813 -28.0526 GPRESSURE: 3324200 -45.5814 -193.266 97.6986 -109.167 -2.17679 19.4495 -15.084 -70.1634 -2.70268 PRESSAVG: 3324200 33.7227 -66.3868 -18.1895 -66.3868 50.8129 -62.0096 -18.1895 -62.0095 -97.9222 GPRESSAVG: 3324200 32.921 -65.3142 -17.3669 -68.0939 51.0625 -62.2264 -18.2135 -61.6338 -97.3313 TIMING: 3324200 CPU: 10008.6, 0.00299817/step Wall: 10008.6, 0.00299817/step, 1.39565 hours remaining, 210.703125 MB of memory in use. ENERGY: 3324200 778.7252 2169.2067 1919.7228 115.3959 -206230.4371 17656.2416 0.0000 0.0000 34042.9071 -149548.2377 297.3052 -183591.1448 -149451.5955 298.3613 -49.2952 -16.8203 555755.7282 -4.4622 -4.4493 LDB: ============= START OF LOAD BALANCING ============== 10012.1 LDB: ============== END OF LOAD BALANCING =============== 10012.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10012.1 LDB: ============= START OF LOAD BALANCING ============== 10012.4 LDB: Largest compute 4802 load 0.030426 is 25.7% of average load 0.118192 LDB: Average compute 0.001739 is 1.5% of average load 0.118192 LDB: TIME 10012.4 LOAD: AVG 0.118192 MAX 0.205269 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.371 MB LDB: TIME 10012.4 LOAD: AVG 0.118192 MAX 0.205269 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.371 MB LDB: TIME 10012.4 LOAD: AVG 0.118192 MAX 0.205269 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.371 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10012.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10012.4 PRESSURE: 3324400 23.2156 -216.804 -7.62627 -216.804 53.2953 136.764 -7.6266 136.765 384.323 GPRESSURE: 3324400 20.8366 -266.714 72.3913 -155.628 45.7996 69.2262 60.9826 151.571 482.038 PRESSAVG: 3324400 -8.4177 -12.7378 -18.6111 -12.7378 52.8611 -2.52777 -18.6111 -2.52772 -29.1128 GPRESSAVG: 3324400 -7.39563 -12.3151 -21.3806 -11.4132 52.4331 -4.53751 -17.8507 -2.23539 -30.3663 TIMING: 3324400 CPU: 10009.2, 0.00301998/step Wall: 10009.2, 0.00301998/step, 1.40563 hours remaining, 209.687500 MB of memory in use. ENERGY: 3324400 707.6783 2034.6452 1955.0843 108.2677 -206376.1664 17875.7864 0.0000 0.0000 34277.9715 -149416.7330 299.3581 -183694.7045 -149320.6120 298.1068 153.6114 182.8913 555134.7473 5.1102 4.8904 PRESSURE: 3324600 -154.392 149.398 -33.2876 149.397 64.0609 50.8965 -33.2876 50.8946 11.4558 GPRESSURE: 3324600 -160.364 185.033 20.1749 139.098 123.01 58.1444 7.48181 -21.5316 45.9068 PRESSAVG: 3324600 17.2743 -16.5182 2.33795 -16.5182 19.6711 -11.2979 2.33798 -11.2979 -8.5019 GPRESSAVG: 3324600 16.1491 -15.0721 2.0244 -17.5092 20.907 -11.4671 3.69609 -11.2445 -8.87375 TIMING: 3324600 CPU: 10009.7, 0.00297502/step Wall: 10009.7, 0.00297502/step, 1.38454 hours remaining, 209.890625 MB of memory in use. ENERGY: 3324600 740.0241 2111.3262 1930.4587 118.3114 -206330.1910 17787.9693 0.0000 0.0000 34282.6223 -149359.4789 299.3987 -183642.1012 -149267.8381 298.7585 -26.2918 2.8509 556683.0238 9.4812 9.3941 PRESSURE: 3324800 -196.088 -26.631 -0.441579 -26.6311 -198.492 -61.6837 -0.442192 -61.6828 -81.9159 GPRESSURE: 3324800 -217.43 -38.2046 -43.8353 -127.466 -128.339 -93.0364 -28.7444 -81.924 -25.9281 PRESSAVG: 3324800 8.87198 16.5513 -30.4286 16.5514 12.9507 -14.0119 -30.4285 -14.012 -1.50833 GPRESSAVG: 3324800 8.8793 14.1324 -28.7378 16.0401 11.3893 -13.5529 -32.6413 -13.5216 -0.517633 TIMING: 3324800 CPU: 10010.3, 0.00298119/step Wall: 10010.3, 0.00298119/step, 1.38725 hours remaining, 209.890625 MB of memory in use. ENERGY: 3324800 774.3878 2035.9890 1948.4289 117.2118 -206109.0295 17550.4475 0.0000 0.0000 34287.2728 -149395.2916 299.4393 -183682.5644 -149300.8708 298.7308 -158.8318 -123.8993 555934.4824 6.7714 6.5837 PRESSURE: 3325000 196.39 -96.5169 -105.53 -96.5171 47.6927 67.5062 -105.529 67.5066 -204.759 GPRESSURE: 3325000 239.017 -44.2489 -109.873 -90.4194 103.533 42.4967 -61.6494 160.171 -212.124 PRESSAVG: 3325000 -14.536 -53.4785 14.7439 -53.4784 17.2984 -34.5145 14.7439 -34.5146 18.1235 GPRESSAVG: 3325000 -12.7918 -50.3641 12.47 -53.2702 16.8789 -35.8607 15.6816 -33.7786 17.001 TIMING: 3325000 CPU: 10010.9, 0.00295602/step Wall: 10010.9, 0.00295602/step, 1.37537 hours remaining, 209.890625 MB of memory in use. ENERGY: 3325000 741.6823 2102.3561 1964.2237 115.1896 -206106.9026 17710.4807 0.0000 0.0000 34051.4309 -149421.5392 297.3796 -183472.9701 -149331.5921 298.2996 13.1079 43.4754 556633.0747 6.9620 7.0294 PRESSURE: 3325200 83.6738 -88.796 45.3727 -88.796 -249.567 -23.7502 45.3718 -23.7492 -79.4786 GPRESSURE: 3325200 97.8173 -0.786812 71.2403 -46.8583 -234.699 -52.8292 79.4557 -93.4176 -15.5024 PRESSAVG: 3325200 18.0209 -7.93892 -32.9095 -7.9389 -37.6997 -7.37737 -32.9095 -7.37723 45.1294 GPRESSAVG: 3325200 16.8965 -10.1225 -28.1467 -5.99235 -35.8805 -7.37084 -34.5385 -7.75601 44.3407 TIMING: 3325200 CPU: 10011.5, 0.00298189/step Wall: 10011.5, 0.00298189/step, 1.38724 hours remaining, 209.890625 MB of memory in use. ENERGY: 3325200 757.5096 2064.3765 1935.3427 103.4980 -206818.1693 17902.8697 0.0000 0.0000 34436.3060 -149618.2669 300.7408 -184054.5729 -149522.8231 299.3273 -81.7906 -50.7948 556893.9647 8.4835 8.4522 PRESSURE: 3325400 -37.7281 -291.14 -70.1904 -291.139 61.6529 207.397 -70.191 207.396 -107.711 GPRESSURE: 3325400 -25.5744 -287.689 -14.063 -226.329 127.889 213.612 -40.2849 158.526 -80.4999 PRESSAVG: 3325400 12.9178 -8.99143 -19.901 -8.99152 -0.27293 -55.9984 -19.901 -55.9982 -8.26246 GPRESSAVG: 3325400 12.6534 -7.32536 -22.0713 -11.6385 -1.36906 -55.6132 -17.8961 -55.4483 -6.81751 TIMING: 3325400 CPU: 10012.1, 0.00297462/step Wall: 10012.1, 0.00297462/step, 1.38369 hours remaining, 210.093750 MB of memory in use. ENERGY: 3325400 734.7673 2135.4881 1928.7927 104.3312 -206428.5802 17925.8947 0.0000 0.0000 33993.5456 -149605.7606 296.8741 -183599.3062 -149509.1434 298.6862 -27.9289 7.2717 558690.7812 1.4608 1.4890 PRESSURE: 3325600 85.783 -47.2825 -89.2323 -47.2841 -354.32 7.10725 -89.2312 7.10656 -72.1293 GPRESSURE: 3325600 167.957 16.225 -58.6634 -20.1447 -324.15 49.0299 -106.191 -46.6259 -83.3427 PRESSAVG: 3325600 8.02045 30.084 -6.72601 30.084 -37.5807 -14.7289 -6.72595 -14.7289 45.8783 GPRESSAVG: 3325600 7.6601 28.717 -8.62633 30.7262 -37.4289 -12.1852 -6.03499 -14.404 45.7384 TIMING: 3325600 CPU: 10012.7, 0.00297655/step Wall: 10012.7, 0.00297655/step, 1.38443 hours remaining, 210.160156 MB of memory in use. ENERGY: 3325600 767.0497 2110.0099 1913.3638 116.9458 -206714.6423 17944.6575 0.0000 0.0000 34242.5385 -149620.0771 299.0486 -183862.6156 -149519.7382 297.8585 -113.5553 -79.8454 559287.4222 5.4393 5.3232 PRESSURE: 3325800 -289.611 118.453 66.1129 118.453 18.7084 -35.294 66.1131 -35.2934 -169.32 GPRESSURE: 3325800 -296.25 86.1162 34.8323 137.944 70.9303 -97.9769 123.874 11.757 -110.912 PRESSAVG: 3325800 -59.9324 25.67 10.1913 25.6701 20.6667 65.6874 10.1912 65.6875 9.90749 GPRESSAVG: 3325800 -60.3154 25.5139 11.794 24.6669 20.7584 63.7571 8.11297 62.9672 8.88181 TIMING: 3325800 CPU: 10013.3, 0.00301274/step Wall: 10013.3, 0.00301273/step, 1.40109 hours remaining, 210.160156 MB of memory in use. ENERGY: 3325800 786.8058 2103.0337 1930.6718 105.3144 -206345.1093 17687.8631 0.0000 0.0000 34045.9975 -149685.4230 297.3322 -183731.4205 -149586.1559 298.0175 -146.7408 -112.0775 557885.9375 -9.7861 -10.2251 PRESSURE: 3326000 -73.9014 116.731 14.4502 116.731 29.0504 133.637 14.4511 133.636 -162.941 GPRESSURE: 3326000 -34.1586 175.511 -42.9069 119.252 74.1516 243.651 59.794 80.6496 -153.224 PRESSAVG: 3326000 -36.5033 71.3927 -52.4205 71.3926 -21.2237 59.1919 -52.4206 59.1919 23.5542 GPRESSAVG: 3326000 -35.4998 73.8694 -55.8255 71.6436 -21.8442 59.0174 -49.7642 60.2362 23.7706 TIMING: 3326000 CPU: 10013.9, 0.00302928/step Wall: 10013.9, 0.00302928/step, 1.40861 hours remaining, 210.160156 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: 3326000 770.9297 2071.1179 1946.2071 98.3133 -206512.7486 17927.2443 0.0000 0.0000 34121.9807 -149576.9556 297.9957 -183698.9363 -149482.2464 298.2548 -69.2641 -37.7437 557380.6474 -11.3910 -11.1911 PRESSURE: 3326200 10.1892 -83.8445 -107.236 -83.8436 -34.1241 -34.3661 -107.236 -34.3663 -265.962 GPRESSURE: 3326200 24.2126 -87.118 -134.792 -112.326 48.9408 -147.46 19.1477 52.9351 -264.742 PRESSAVG: 3326200 21.0592 55.5233 -48.3138 55.5234 -29.521 29.9253 -48.3138 29.9252 19.8873 GPRESSAVG: 3326200 20.4772 52.9736 -47.2251 54.3635 -29.0955 31.5396 -47.0235 27.1443 20.1411 TIMING: 3326200 CPU: 10014.5, 0.00303354/step Wall: 10014.5, 0.00303354/step, 1.41043 hours remaining, 210.160156 MB of memory in use. ENERGY: 3326200 721.8486 2068.9868 1926.1869 117.8584 -206458.7304 17783.2921 0.0000 0.0000 34121.0383 -149719.5194 297.9875 -183840.5577 -149620.4450 297.8441 -96.6322 -63.8628 558267.1064 3.8085 3.8409 PRESSURE: 3326400 -83.0544 -60.0938 6.15714 -60.0946 -127.745 -23.1603 6.15682 -23.1591 -298.231 GPRESSURE: 3326400 -32.8208 -85.9554 17.2955 -38.2489 -123.632 -31.2698 -37.8491 -48.4004 -257.011 PRESSAVG: 3326400 41.9324 -22.8695 -0.598786 -22.8694 43.1405 -5.45675 -0.598788 -5.45675 -61.6221 GPRESSAVG: 3326400 42.5126 -24.2029 -0.758028 -23.1291 43.6133 -6.57079 -3.17955 -4.2315 -62.705 TIMING: 3326400 CPU: 10015.1, 0.0030357/step Wall: 10015.1, 0.0030357/step, 1.41126 hours remaining, 210.160156 MB of memory in use. ENERGY: 3326400 747.8645 2089.5049 1893.0625 115.8664 -206679.3038 17905.4512 0.0000 0.0000 34277.5886 -149649.9658 299.3547 -183927.5543 -149546.1444 298.6772 -169.6768 -137.8212 557393.8804 7.8169 7.8070 PRESSURE: 3326600 -168.146 -23.8898 37.3728 -23.8908 -125.334 114.27 37.3725 114.269 -107.231 GPRESSURE: 3326600 -147.066 8.14433 0.12124 -90.8418 -118.052 146.503 4.68324 127.966 -40.0263 PRESSAVG: 3326600 55.4492 48.1732 10.184 48.1733 -34.1047 -15.8647 10.1841 -15.8648 -39.1251 GPRESSAVG: 3326600 54.2095 47.9086 11.385 49.8473 -34.0282 -15.9073 11.216 -14.3539 -38.2391 TIMING: 3326600 CPU: 10015.7, 0.00300183/step Wall: 10015.7, 0.00300183/step, 1.39535 hours remaining, 210.160156 MB of memory in use. ENERGY: 3326600 720.4862 2032.7600 1941.4767 116.7977 -206181.8685 17660.2260 0.0000 0.0000 34095.4257 -149614.6964 297.7638 -183710.1220 -149516.6499 298.8206 -133.5706 -101.7147 557632.5046 -5.9269 -6.0193 PRESSURE: 3326800 220.171 141.253 -4.70295 141.252 -21.2684 7.74063 -4.70446 7.7422 -42.2743 GPRESSURE: 3326800 250.947 159.907 23.5815 184.106 72.5681 103.4 -20.5519 -84.6299 -74.5144 PRESSAVG: 3326800 -6.21509 100.972 9.00622 100.972 11.2689 -57.2006 9.00624 -57.2005 19.8423 GPRESSAVG: 3326800 -4.84778 102.929 10.3195 100.193 9.94578 -58.5695 7.35427 -59.2435 20.1502 TIMING: 3326800 CPU: 10016.3, 0.00301829/step Wall: 10016.3, 0.00301829/step, 1.40283 hours remaining, 210.160156 MB of memory in use. ENERGY: 3326800 709.0010 2078.0544 1928.1293 101.7110 -205924.4495 17671.8159 0.0000 0.0000 33952.6040 -149483.1339 296.5165 -183435.7379 -149382.4809 298.9691 52.2094 83.0002 555904.6305 8.2987 8.4161 PRESSURE: 3327000 -148.335 -15.6299 -55.5814 -15.63 -41.3056 -42.053 -55.5798 -42.0543 306.624 GPRESSURE: 3327000 -108.615 -2.45938 -78.4778 -16.5939 8.17987 -32.4925 37.1819 66.8458 307.056 PRESSAVG: 3327000 -25.3044 8.40098 21.6913 8.40101 -43.0707 -52.6594 21.6914 -52.6595 6.27945 GPRESSAVG: 3327000 -25.7289 7.51454 21.1849 7.54259 -43.0875 -51.14 19.4631 -51.7749 6.58227 TIMING: 3327000 CPU: 10017, 0.00301993/step Wall: 10017, 0.00301993/step, 1.40343 hours remaining, 210.160156 MB of memory in use. ENERGY: 3327000 742.4397 2057.8852 1961.3082 116.8145 -206551.8529 17958.0284 0.0000 0.0000 34172.8788 -149542.4981 298.4402 -183715.3769 -149443.8397 298.4898 38.9944 68.8733 555803.0057 -20.6985 -20.7447 PRESSURE: 3327200 227.817 25.1472 84.8274 25.1475 163.967 -256.429 84.8266 -256.428 -6.40338 GPRESSURE: 3327200 224.467 83.1995 60.8993 11.3259 166.664 -266.009 97.4965 -168.605 88.7935 PRESSAVG: 3327200 -49.7435 -7.35938 -20.6034 -7.35934 25.7704 -45.3907 -20.6034 -45.3908 55.2367 GPRESSAVG: 3327200 -50.4768 -7.08626 -22.349 -8.34013 26.9553 -45.2762 -20.8606 -47.0978 54.2818 TIMING: 3327200 CPU: 10017.6, 0.00299832/step Wall: 10017.6, 0.00299831/step, 1.39322 hours remaining, 210.160156 MB of memory in use. ENERGY: 3327200 745.1294 2102.2207 1939.0500 112.0922 -206823.2280 18139.7280 0.0000 0.0000 34155.3478 -149629.6598 298.2871 -183785.0076 -149538.8433 298.7987 128.4602 159.9748 555957.2098 10.4212 10.2534 PRESSURE: 3327400 5.10613 76.0469 -56.4211 76.0464 -96.2002 -70.1232 -56.4201 -70.1239 -28.0547 GPRESSURE: 3327400 78.1692 42.8523 -3.58361 84.0986 -86.9124 -50.8987 -75.4976 -162.887 -11.2494 PRESSAVG: 3327400 17.1676 26.227 -37.7769 26.2271 5.42537 -28.2149 -37.7769 -28.2147 -38.528 GPRESSAVG: 3327400 18.2866 26.6899 -35.2902 28.9755 5.02934 -29.2988 -36.6229 -26.148 -39.0783 TIMING: 3327400 CPU: 10018.2, 0.00301596/step Wall: 10018.2, 0.00301596/step, 1.40125 hours remaining, 210.160156 MB of memory in use. ENERGY: 3327400 745.6988 2131.6382 1952.0381 101.8831 -206272.8468 17671.6756 0.0000 0.0000 34237.3769 -149432.5361 299.0035 -183669.9131 -149339.4162 298.8624 -39.7163 -6.6642 557249.3405 -5.3117 -5.2541 PRESSURE: 3327600 103.709 218.63 85.6425 218.629 138.491 -52.1458 85.6421 -52.1482 261.91 GPRESSURE: 3327600 119.643 206.966 91.3553 231.358 179.696 -81.1693 90.8325 -92.6813 306.417 PRESSAVG: 3327600 -46.2109 50.0586 -31.8468 50.0586 40.1298 -20.4556 -31.8468 -20.4556 10.011 GPRESSAVG: 3327600 -46.6002 50.3579 -34.6304 48.6799 39.6653 -21.5583 -29.2686 -20.7002 10.3283 TIMING: 3327600 CPU: 10018.8, 0.00298028/step Wall: 10018.8, 0.00298028/step, 1.38451 hours remaining, 210.160156 MB of memory in use. ENERGY: 3327600 741.9300 2123.3010 1927.9572 115.7311 -206537.3009 18157.9830 0.0000 0.0000 34007.3637 -149463.0349 296.9948 -183470.3986 -149371.8372 299.0592 168.0369 201.9188 555602.4615 1.3100 1.1312 PRESSURE: 3327800 141.733 -105.946 -156.452 -105.946 156.47 13.9555 -156.452 13.9573 149.394 GPRESSURE: 3327800 188.672 -117.1 -75.1954 -151.945 128.289 7.60179 -164.872 29.7174 222.631 PRESSAVG: 3327800 -3.63085 -30.3357 25.4036 -30.3358 -38.5095 19.7166 25.4036 19.7166 32.0427 GPRESSAVG: 3327800 -3.4956 -30.053 25.5545 -30.3507 -38.9139 21.7618 23.1992 17.7816 32.2154 TIMING: 3327800 CPU: 10019.3, 0.00297975/step Wall: 10019.3, 0.00297975/step, 1.38409 hours remaining, 210.160156 MB of memory in use. ENERGY: 3327800 730.7001 2131.4740 1941.4758 118.0359 -206649.1113 18129.0583 0.0000 0.0000 34197.2282 -149401.1391 298.6529 -183598.3672 -149305.1249 298.4294 149.1987 179.8642 556513.8732 -3.3659 -3.3980 PRESSURE: 3328000 -82.1693 -31.9029 -58.3598 -31.9036 164.303 78.5309 -58.3598 78.5299 40.0222 GPRESSURE: 3328000 -92.909 -100.951 -11.0343 -38.0154 252.321 47.3565 -113.923 42.3863 56.2438 PRESSAVG: 3328000 -0.668141 -50.3256 -8.44531 -50.3256 15.9793 -16.7121 -8.44535 -16.712 -27.2027 GPRESSAVG: 3328000 -1.21174 -51.7854 -6.8196 -50.3209 16.959 -16.7743 -7.58426 -13.4862 -28.0272 TIMING: 3328000 CPU: 10019.9, 0.00299701/step Wall: 10019.9, 0.00299701/step, 1.39195 hours remaining, 210.160156 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: 3328000 748.0940 2118.9022 1940.4040 94.0737 -206292.4922 17918.1191 0.0000 0.0000 33999.0415 -149473.8578 296.9221 -183472.8993 -149384.9028 298.7413 40.7186 71.8854 557573.8298 -3.9639 -4.0933 PRESSURE: 3328200 114.301 -89.3202 7.71959 -89.319 140.068 -94.4361 7.71875 -94.4364 -6.0423 GPRESSURE: 3328200 123.323 -134.081 70.9444 -64.4475 175.637 -44.0644 -54.3327 -88.6443 39.9898 PRESSAVG: 3328200 59.427 -5.95133 10.4658 -5.95136 54.7471 57.9601 10.4659 57.9602 -63.9186 GPRESSAVG: 3328200 60.3025 -4.92629 9.36652 -3.96696 53.3905 56.5198 9.92984 56.9483 -64.3417 TIMING: 3328200 CPU: 10020.5, 0.00300634/step Wall: 10020.5, 0.00300634/step, 1.39611 hours remaining, 210.160156 MB of memory in use. ENERGY: 3328200 707.8306 2068.7034 1925.0106 112.5912 -206148.0535 17907.9643 0.0000 0.0000 34042.9967 -149382.9567 297.3060 -183425.9534 -149287.2768 298.4874 82.7754 112.9833 556823.6028 16.7518 16.4504 LDB: ============= START OF LOAD BALANCING ============== 10024.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10024.1 LDB: =============== DONE WITH MIGRATION ================ 10024.1 LDB: ============= START OF LOAD BALANCING ============== 10024.4 LDB: Largest compute 4802 load 0.029411 is 24.9% of average load 0.118169 LDB: Average compute 0.001741 is 1.5% of average load 0.118169 LDB: TIME 10024.4 LOAD: AVG 0.118169 MAX 0.205317 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.918 MB LDB: TIME 10024.4 LOAD: AVG 0.118169 MAX 0.205317 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.918 MB LDB: TIME 10024.4 LOAD: AVG 0.118169 MAX 0.205317 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.918 MB LDB: ============== END OF LOAD BALANCING =============== 10024.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10024.4 PRESSURE: 3328400 -2.66195 -44.7469 59.6447 -44.7475 -11.217 10.9139 59.6438 10.9134 -162.336 GPRESSURE: 3328400 42.331 -108.275 50.2158 -16.0132 18.7672 41.7992 52.7781 -20.2283 -143.285 PRESSAVG: 3328400 47.8203 -0.0522833 -122.288 -0.0522878 35.5275 -7.54992 -122.288 -7.54985 -100.056 GPRESSAVG: 3328400 47.4474 0.747364 -123.033 -1.36803 36.4464 -7.24205 -122.015 -7.69464 -101.089 TIMING: 3328400 CPU: 10021.2, 0.0030433/step Wall: 10021.2, 0.0030433/step, 1.41311 hours remaining, 208.878906 MB of memory in use. ENERGY: 3328400 747.7480 2068.1889 1929.5566 115.8943 -206234.5811 17813.8506 0.0000 0.0000 34269.3798 -149289.9628 299.2830 -183559.3426 -149194.6070 298.6551 -58.7383 -27.3958 558131.7881 -5.5692 -5.7317 PRESSURE: 3328600 175.019 -60.5968 89.5256 -60.5971 -25.1603 51.5495 89.5246 51.5506 191.282 GPRESSURE: 3328600 278.466 -31.7262 96.9508 -42.655 -38.0632 119.467 44.8714 -27.175 189.492 PRESSAVG: 3328600 -77.9792 12.5622 -20.9536 12.5622 48.4153 22.0149 -20.9537 22.0149 47.6231 GPRESSAVG: 3328600 -78.5387 13.0816 -20.6861 12.1584 47.1273 22.507 -22.1864 23.2251 49.3157 TIMING: 3328600 CPU: 10021.8, 0.00296827/step Wall: 10021.8, 0.00296827/step, 1.3781 hours remaining, 208.878906 MB of memory in use. ENERGY: 3328600 772.8484 2077.6231 1973.9629 111.9752 -206537.2905 18230.4619 0.0000 0.0000 34111.5517 -149258.8673 297.9047 -183370.4190 -149162.0453 299.3407 113.7135 143.2984 558317.0810 6.0197 5.9681 PRESSURE: 3328800 -117.257 -142.274 63.5158 -142.274 -151.976 -125.542 63.5135 -125.541 -91.3245 GPRESSURE: 3328800 -144.224 -172.107 -47.7804 -121.452 -70.0217 -128.645 41.3232 -94.2977 -39.708 PRESSAVG: 3328800 54.9735 26.4361 63.2422 26.4361 4.85574 -26.7296 63.2422 -26.7295 -62.0418 GPRESSAVG: 3328800 55.4304 22.6061 63.8924 27.8041 5.93599 -26.0027 63.9132 -28.376 -63.4382 TIMING: 3328800 CPU: 10022.3, 0.00296794/step Wall: 10022.3, 0.00296794/step, 1.37778 hours remaining, 208.878906 MB of memory in use. ENERGY: 3328800 769.2772 2094.4465 1939.7851 111.0036 -206346.5313 17856.0879 0.0000 0.0000 34332.3264 -149243.6045 299.8327 -183575.9309 -149143.7572 299.7209 -120.1860 -84.6512 557399.8856 -0.7375 -0.6906 PRESSURE: 3329000 39.4768 -111.788 22.2948 -111.79 210.311 10.6897 22.2933 10.6897 110.584 GPRESSURE: 3329000 73.1967 -147.66 58.8523 -97.1891 210.876 -2.80388 50.316 -1.48048 162.26 PRESSAVG: 3329000 0.661854 -23.7866 -3.88285 -23.7866 -0.498544 -48.1671 -3.8828 -48.167 10.7058 GPRESSAVG: 3329000 -0.544849 -22.193 -3.83404 -23.4713 -0.376958 -49.6612 -3.73279 -47.3969 12.6977 TIMING: 3329000 CPU: 10022.9, 0.00297696/step Wall: 10022.9, 0.00297696/step, 1.3818 hours remaining, 208.878906 MB of memory in use. ENERGY: 3329000 705.3614 2092.9525 1929.9825 106.9585 -206118.8928 17872.0383 0.0000 0.0000 34219.2247 -149192.3749 298.8450 -183411.5996 -149094.4757 299.3171 120.1239 148.7776 557517.5351 3.6230 3.9253 PRESSURE: 3329200 15.9995 47.9549 29.4137 47.9551 251.102 -149.08 29.4141 -149.079 143.828 GPRESSURE: 3329200 67.0336 -6.12305 14.5886 72.575 249.953 -143.599 77.5048 -159.206 178.932 PRESSAVG: 3329200 -91.534 42.7151 2.30382 42.7151 26.2744 59.6489 2.30367 59.649 26.7729 GPRESSAVG: 3329200 -88.9812 40.7148 3.9539 42.6426 24.8725 60.9518 1.58941 59.8998 25.8482 TIMING: 3329200 CPU: 10023.5, 0.00297759/step Wall: 10023.5, 0.00297759/step, 1.38193 hours remaining, 208.878906 MB of memory in use. ENERGY: 3329200 734.1985 2073.9613 1923.7837 107.2596 -206232.1267 18050.9155 0.0000 0.0000 34193.4582 -149148.5499 298.6200 -183342.0081 -149056.9604 298.9179 136.9767 165.3063 557617.1459 -12.8289 -12.7535 PRESSURE: 3329400 84.8888 47.1586 -49.0074 47.1587 -24.6656 48.1844 -49.0077 48.1842 141.013 GPRESSURE: 3329400 162.159 153.653 -34.3738 -3.86589 18.8157 71.3825 -57.0932 9.11596 123.785 PRESSAVG: 3329400 -39.6726 92.9263 -36.5958 92.9262 15.3405 -47.4605 -36.5959 -47.4606 10.3733 GPRESSAVG: 3329400 -41.3999 94.0622 -36.123 92.7585 17.0872 -48.0781 -38.7255 -46.5623 10.1126 TIMING: 3329400 CPU: 10024.1, 0.00300455/step Wall: 10024.1, 0.00300455/step, 1.39428 hours remaining, 208.878906 MB of memory in use. ENERGY: 3329400 749.1555 2088.9897 1919.4334 112.9488 -206303.2720 17840.9739 0.0000 0.0000 34330.0278 -149261.7430 299.8127 -183591.7707 -149157.7222 299.7100 67.0788 101.5867 556513.0317 -4.6529 -4.7334 PRESSURE: 3329600 -0.265469 68.4571 -115.348 68.4572 -185.981 -48.4659 -115.346 -48.4644 -36.7206 GPRESSURE: 3329600 1.87848 60.5338 -193.548 163.554 -155.218 -17.8393 -100.063 -21.9345 20.5293 PRESSAVG: 3329600 59.6524 36.2609 -91.9644 36.2608 -6.17258 -64.2401 -91.9645 -64.2402 -13.7569 GPRESSAVG: 3329600 59.832 37.8616 -92.9347 35.6801 -7.73093 -64.7728 -90.1241 -66.4812 -12.7647 TIMING: 3329600 CPU: 10024.7, 0.00296531/step Wall: 10024.7, 0.00296531/step, 1.3759 hours remaining, 208.878906 MB of memory in use. ENERGY: 3329600 801.8179 2063.0632 1944.1795 119.4958 -205957.7709 17689.1856 0.0000 0.0000 34288.7858 -149051.2430 299.4525 -183340.0288 -148958.2113 300.0963 -74.3223 -44.2701 558431.4306 13.2410 13.1121 PRESSURE: 3329800 -326.795 72.2724 -63.5291 72.2725 -158.489 -52.5815 -63.5298 -52.5811 -49.7287 GPRESSURE: 3329800 -315.893 49.4675 -51.9546 107.063 -105.35 -32.3907 -87.3633 8.94209 -10.0659 PRESSAVG: 3329800 -22.7161 30.8816 -57.8523 30.8816 -52.1962 -42.32 -57.8523 -42.32 57.1645 GPRESSAVG: 3329800 -21.8006 31.975 -55.7898 27.9082 -51.242 -41.232 -58.9104 -41.6827 55.643 TIMING: 3329800 CPU: 10025.3, 0.00300434/step Wall: 10025.3, 0.00300434/step, 1.39385 hours remaining, 208.878906 MB of memory in use. ENERGY: 3329800 775.7877 2112.7825 1917.6378 105.8772 -205903.5682 17699.3899 0.0000 0.0000 34111.6781 -149180.4150 297.9058 -183292.0931 -149091.4630 299.9366 -178.3376 -143.7697 559531.8076 -5.9159 -5.7999 PRESSURE: 3330000 -180.182 147.291 -116.629 147.29 -263.584 107.577 -116.628 107.577 109.728 GPRESSURE: 3330000 -123.756 46.4156 -206.59 204.748 -176.034 147.729 -51.3006 77.0576 58.7954 PRESSAVG: 3330000 -15.9928 9.53287 1.8152 9.53286 52.4666 -16.4479 1.81517 -16.448 -38.8182 GPRESSAVG: 3330000 -16.8866 9.1232 1.15614 11.6477 51.6264 -15.5375 1.85064 -17.8664 -37.4476 TIMING: 3330000 CPU: 10025.9, 0.00297088/step Wall: 10025.9, 0.00297088/step, 1.37816 hours remaining, 208.878906 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: 3330000 744.1151 2079.3045 1946.4165 106.3086 -206064.2840 17630.5993 0.0000 0.0000 34237.5324 -149320.0075 299.0049 -183557.5399 -149221.9396 299.4079 -111.3462 -80.3318 558166.3153 -0.7815 -0.9026 PRESSURE: 3330200 145.441 55.9124 10.8964 55.9123 -128.906 -0.554036 10.8969 -0.554238 -218.591 GPRESSURE: 3330200 208.775 -20.4879 -5.80084 -38.7147 -73.9095 -54.1596 37.8445 -76.2867 -242.895 PRESSAVG: 3330200 4.0533 22.7552 -12.6396 22.7552 -75.51 -40.5884 -12.6397 -40.5884 76.937 GPRESSAVG: 3330200 4.0275 19.9536 -13.8597 22.9489 -74.955 -43.0486 -11.6432 -39.9452 76.8581 TIMING: 3330200 CPU: 10026.5, 0.00297107/step Wall: 10026.5, 0.00297107/step, 1.37808 hours remaining, 208.878906 MB of memory in use. ENERGY: 3330200 764.1115 2137.6641 1917.1559 119.1609 -206323.6786 17808.8107 0.0000 0.0000 34094.7500 -149482.0255 297.7579 -183576.7756 -149389.2223 299.0849 -67.3522 -36.0097 559178.8457 1.8268 1.9769 PRESSURE: 3330400 -16.9122 86.0588 133.653 86.0595 40.3181 64.9986 133.654 64.9976 20.0064 GPRESSURE: 3330400 -20.9761 -45.1669 75.9542 145.072 92.1324 35.4916 117.83 139.577 64.9801 PRESSAVG: 3330400 27.0533 -50.9143 -26.0161 -50.9143 -27.8442 -47.0564 -26.0161 -47.0564 -24.3463 GPRESSAVG: 3330400 27.0298 -50.3042 -24.005 -50.3553 -28.0908 -46.8744 -27.2016 -45.139 -23.6411 TIMING: 3330400 CPU: 10027.1, 0.00299207/step Wall: 10027.1, 0.00299207/step, 1.38765 hours remaining, 208.878906 MB of memory in use. ENERGY: 3330400 767.5218 2053.0811 1949.9523 98.7342 -206458.7341 18034.7021 0.0000 0.0000 34127.3070 -149427.4356 298.0423 -183554.7427 -149339.4147 298.9474 14.4708 45.3788 556686.7102 -8.3791 -8.2341 PRESSURE: 3330600 -173.256 -169.09 -100.682 -169.09 -71.7798 -74.858 -100.681 -74.858 -347.397 GPRESSURE: 3330600 -74.2004 -194.742 -106.669 -124.411 -84.4905 -149.729 20.8529 -19.6125 -337.185 PRESSAVG: 3330600 -5.42317 -8.86431 -37.1378 -8.86441 6.38777 36.6616 -37.1378 36.6616 -49.2899 GPRESSAVG: 3330600 -4.50133 -7.65149 -37.4775 -9.82012 6.27776 36.3013 -37.4864 35.4997 -50.5235 TIMING: 3330600 CPU: 10027.7, 0.00302473/step Wall: 10027.7, 0.00302473/step, 1.40263 hours remaining, 208.878906 MB of memory in use. ENERGY: 3330600 751.9585 2071.8599 1938.5868 110.9024 -206137.0610 17584.1463 0.0000 0.0000 34108.7569 -149570.8503 297.8803 -183679.6072 -149463.7720 298.8012 -197.4775 -165.2920 557638.2454 -16.1084 -16.2490 PRESSURE: 3330800 -30.9142 -84.2766 -36.6718 -84.2769 -116.435 -128.224 -36.6725 -128.223 -1.48341 GPRESSURE: 3330800 1.91986 2.39271 -1.72004 -215.085 -27.1163 -35.217 -8.77049 -148.346 -20.7238 PRESSAVG: 3330800 -6.63014 5.14711 43.1759 5.14712 8.66745 -18.4959 43.176 -18.4958 38.8831 GPRESSAVG: 3330800 -6.57367 6.25478 43.1964 5.10856 8.46279 -19.1217 43.4186 -18.2766 39.4158 TIMING: 3330800 CPU: 10028.3, 0.00299519/step Wall: 10028.3, 0.00299519/step, 1.38877 hours remaining, 208.878906 MB of memory in use. ENERGY: 3330800 768.2886 2088.2741 1931.8324 114.0563 -206429.8990 17905.5751 0.0000 0.0000 33869.0298 -149752.8428 295.7867 -183621.8726 -149662.2146 298.3553 -49.6108 -15.3067 555259.5485 13.6401 13.7683 PRESSURE: 3331000 -411.972 44.5063 35.7143 44.5062 -167.067 -33.4981 35.7141 -33.4986 -503.053 GPRESSURE: 3331000 -352.804 43.7652 10.8482 85.1795 -190.322 -82.3862 11.1265 20.835 -445.315 PRESSAVG: 3331000 -47.3371 -18.5092 8.12099 -18.5091 10.0049 -34.6773 8.12102 -34.6775 33.3162 GPRESSAVG: 3331000 -48.5425 -19.8004 5.79521 -16.452 9.20716 -32.0412 7.89463 -36.3724 34.2382 TIMING: 3331000 CPU: 10028.9, 0.0030271/step Wall: 10028.9, 0.0030271/step, 1.4034 hours remaining, 208.878906 MB of memory in use. ENERGY: 3331000 743.8048 2035.2335 1936.5675 123.8284 -205986.2820 17298.8651 0.0000 0.0000 34399.1804 -149448.8023 300.4166 -183847.9827 -149358.6808 298.5772 -360.6972 -329.4803 557118.8159 -1.3386 -1.6990 PRESSURE: 3331200 -80.2695 22.2067 25.6396 22.2062 -9.23375 164.065 25.6392 164.066 -63.9647 GPRESSURE: 3331200 -10.6282 35.8543 128.945 -10.3174 -61.7916 124.277 84.3557 69.3082 0.705177 PRESSAVG: 3331200 4.18367 -3.43297 27.2615 -3.43291 -3.40283 -21.8571 27.2615 -21.8569 11.1591 GPRESSAVG: 3331200 3.94542 -3.5523 27.3009 -5.32635 -3.6245 -21.9439 29.8282 -21.2732 11.4707 TIMING: 3331200 CPU: 10029.5, 0.00302366/step Wall: 10029.5, 0.00302366/step, 1.40163 hours remaining, 208.878906 MB of memory in use. ENERGY: 3331200 773.0105 2059.2936 1907.2951 99.7947 -206575.9869 17851.9389 0.0000 0.0000 34419.3021 -149465.3521 300.5923 -183884.6542 -149375.3752 299.5650 -51.1560 -23.9049 556525.7966 3.9800 3.9305 PRESSURE: 3331400 16.0515 -46.9005 21.4726 -46.8999 -74.1232 37.854 21.473 37.8555 38.4184 GPRESSURE: 3331400 84.8457 -43.2507 62.6919 -39.0828 -25.2742 1.02999 14.6577 -36.4851 25.2548 PRESSAVG: 3331400 -48.7041 -63.4759 -5.52715 -63.4759 43.0698 -50.0053 -5.52723 -50.0053 14.4155 GPRESSAVG: 3331400 -47.1706 -62.2713 -4.71273 -64.5678 43.175 -53.2889 -7.41995 -49.3771 12.9134 TIMING: 3331400 CPU: 10030.1, 0.00301269/step Wall: 10030.1, 0.00301269/step, 1.39638 hours remaining, 208.878906 MB of memory in use. ENERGY: 3331400 744.2924 2097.9717 1917.0522 112.1956 -206231.8861 17823.6477 0.0000 0.0000 34216.3206 -149320.4059 298.8196 -183536.7265 -149228.2524 298.8745 -6.5511 28.2754 556850.7549 2.9271 2.9726 PRESSURE: 3331600 90.5992 -36.3351 -152.55 -36.3342 160.732 42.7197 -152.55 42.7211 -63.3445 GPRESSURE: 3331600 118.699 2.12383 -126.998 -63.5408 222.412 37.9966 -150.668 9.70442 -62.482 PRESSAVG: 3331600 8.26868 -12.4601 -27.2112 -12.4601 -21.9839 -2.13082 -27.2111 -2.13077 11.1562 GPRESSAVG: 3331600 7.4234 -14.3935 -27.2169 -10.3852 -21.178 -0.105343 -26.8153 -1.36492 10.88 TIMING: 3331600 CPU: 10030.7, 0.00299788/step Wall: 10030.7, 0.00299788/step, 1.38935 hours remaining, 208.878906 MB of memory in use. ENERGY: 3331600 742.9969 2064.2146 1939.3724 107.4048 -206258.1299 17759.7259 0.0000 0.0000 34269.8748 -149374.5404 299.2873 -183644.4152 -149273.0671 299.3750 62.6623 92.8763 556558.2908 -0.8530 -0.9582 PRESSURE: 3331800 -209.736 -7.14237 -137.524 -7.14096 95.1944 -79.6148 -137.524 -79.6154 147.724 GPRESSURE: 3331800 -121.163 123.282 -188.613 -43.1775 83.2197 -125.759 -82.8041 -38.9608 172.624 PRESSAVG: 3331800 -61.7392 -17.0494 -63.1349 -17.0494 47.6165 3.17411 -63.1349 3.1742 32.4657 GPRESSAVG: 3331800 -61.7347 -16.1757 -64.4278 -17.6977 46.5544 1.41782 -62.0859 3.73983 33.5409 TIMING: 3331800 CPU: 10031.3, 0.00301297/step Wall: 10031.3, 0.00301297/step, 1.39617 hours remaining, 208.878906 MB of memory in use. ENERGY: 3331800 764.0541 2066.0730 1928.3454 111.7521 -206390.3534 17892.8518 0.0000 0.0000 34339.5008 -149287.7762 299.8954 -183627.2770 -149189.1538 299.8194 11.0608 44.8935 556562.7084 6.1143 6.1202 PRESSURE: 3332000 -107.616 -12.5494 -56.2769 -12.5489 -124.538 95.679 -56.2775 95.6795 -158.812 GPRESSURE: 3332000 -60.2509 -20.6584 -27.4041 -25.4992 -111.943 27.6865 -80.572 108.275 -114.829 PRESSAVG: 3332000 -17.6639 -13.9405 -64.7544 -13.9406 8.34783 1.6936 -64.7544 1.69348 -15.8731 GPRESSAVG: 3332000 -18.1709 -13.9808 -64.6858 -13.5161 9.1189 1.87831 -64.1354 0.867668 -16.4207 TIMING: 3332000 CPU: 10031.9, 0.00300946/step Wall: 10031.9, 0.00300946/step, 1.39438 hours remaining, 208.878906 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: 3332000 761.2230 2057.0984 1911.5158 107.2399 -205910.5320 17510.1189 0.0000 0.0000 34253.0451 -149310.2908 299.1404 -183563.3359 -149212.4567 299.6136 -130.3222 -95.6746 557485.5484 -8.3964 -8.4909 PRESSURE: 3332200 111.415 -35.049 123.321 -35.05 -36.3284 92.8018 123.32 92.8032 -97.2941 GPRESSURE: 3332200 157.656 -13.698 143.934 -39.5438 -19.5947 135.05 84.0536 34.7955 -70.1006 PRESSAVG: 3332200 3.31192 -17.9768 -29.6864 -17.9768 18.8532 1.00481 -29.6864 1.0049 -37.3274 GPRESSAVG: 3332200 4.17318 -16.8491 -29.0198 -20.0235 17.4063 2.25532 -30.0579 1.48495 -36.9143 TIMING: 3332200 CPU: 10032.5, 0.00301731/step Wall: 10032.5, 0.00301731/step, 1.39785 hours remaining, 208.878906 MB of memory in use. ENERGY: 3332200 748.5783 2040.5179 1931.6986 110.3677 -206277.9394 17911.1370 0.0000 0.0000 34255.0413 -149280.5987 299.1578 -183535.6400 -149182.0846 299.7388 -7.4025 22.6537 558201.1527 -5.0541 -5.1116 LDB: ============= START OF LOAD BALANCING ============== 10036.1 LDB: ============== END OF LOAD BALANCING =============== 10036.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10036.1 LDB: ============= START OF LOAD BALANCING ============== 10036.4 LDB: Largest compute 4802 load 0.029455 is 24.9% of average load 0.118162 LDB: Average compute 0.001742 is 1.5% of average load 0.118162 LDB: TIME 10036.4 LOAD: AVG 0.118162 MAX 0.207649 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.453 MB LDB: TIME 10036.4 LOAD: AVG 0.118162 MAX 0.207649 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.656 MB LDB: TIME 10036.4 LOAD: AVG 0.118162 MAX 0.207649 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.656 MB LDB: ============== END OF LOAD BALANCING =============== 10036.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10036.4 PRESSURE: 3332400 117.743 -40.42 60.3497 -40.4196 -96.5522 -128.425 60.3488 -128.426 -67.3053 GPRESSURE: 3332400 158.051 -88.852 74.8917 23.2782 -61.7368 -226.568 70.2003 -43.0593 -46.5785 PRESSAVG: 3332400 71.2633 -21.4804 48.381 -21.4805 5.31096 -11.0671 48.3811 -11.0671 -69.6368 GPRESSAVG: 3332400 70.2342 -21.747 47.977 -20.7051 5.9127 -11.2667 48.8812 -11.4248 -69.5421 TIMING: 3332400 CPU: 10033.2, 0.00304477/step Wall: 10033.2, 0.00304477/step, 1.41041 hours remaining, 209.320312 MB of memory in use. ENERGY: 3332400 721.2801 2077.5153 1927.6657 114.8203 -205927.5238 17671.6003 0.0000 0.0000 34183.2841 -149231.3582 298.5311 -183414.6422 -149131.5649 299.4058 -15.3716 16.5785 557093.1860 2.3125 2.2016 PRESSURE: 3332600 -141.772 31.4067 -153.927 31.4065 30.5814 -65.8742 -153.927 -65.8733 45.4587 GPRESSURE: 3332600 -72.1189 54.2205 -140.186 -61.4962 62.4221 -76.2566 -178.435 -40.3024 50.8651 PRESSAVG: 3332600 -7.02617 29.1564 27.5717 29.1562 -2.78983 8.5271 27.5717 8.52717 -19.0713 GPRESSAVG: 3332600 -7.17824 27.7006 28.0875 28.7227 -2.55403 7.7737 25.3075 9.34254 -19.0261 TIMING: 3332600 CPU: 10033.7, 0.0029571/step Wall: 10033.7, 0.0029571/step, 1.36963 hours remaining, 209.390625 MB of memory in use. ENERGY: 3332600 779.8494 2050.2932 1959.9158 110.5957 -206421.0925 18065.9552 0.0000 0.0000 34313.7949 -149140.6882 299.6709 -183454.4832 -149042.8079 299.1165 -21.9105 13.7228 558174.1266 -9.6291 -9.5861 PRESSURE: 3332800 152.016 59.1982 -50.5335 59.1983 -12.083 -108.112 -50.5347 -108.112 -101.031 GPRESSURE: 3332800 148.813 155.64 21.9668 12.5269 -3.38361 -132.487 -77.7312 -65.1197 -14.4853 PRESSAVG: 3332800 11.6485 1.1075 -30.625 1.10746 83.8615 -14.7784 -30.6249 -14.7784 -44.1552 GPRESSAVG: 3332800 11.8036 2.28886 -30.0111 1.15589 83.0129 -14.4193 -29.1276 -15.058 -44.1358 TIMING: 3332800 CPU: 10034.3, 0.00301977/step Wall: 10034.3, 0.00301977/step, 1.39849 hours remaining, 209.390625 MB of memory in use. ENERGY: 3332800 753.8284 2079.0514 1933.6771 109.4952 -206091.1110 17690.2150 0.0000 0.0000 34340.3749 -149184.4690 299.9030 -183524.8438 -149083.7060 299.0750 12.9674 43.6481 556314.4295 17.1182 16.8936 PRESSURE: 3333000 -134.841 42.2869 -145.61 42.2882 -214.318 13.0542 -145.611 13.0534 -180.451 GPRESSURE: 3333000 -59.9924 -22.8012 -175.758 -95.4436 -195.205 7.24946 -182.668 -77.4629 -179.057 PRESSAVG: 3333000 16.4151 -1.59612 -57.3713 -1.59609 -65.4139 21.2147 -57.3714 21.2147 25.6199 GPRESSAVG: 3333000 16.1804 -2.04749 -57.5749 -2.58667 -65.2341 21.6949 -57.8654 18.5206 26.2136 TIMING: 3333000 CPU: 10035, 0.00302193/step Wall: 10035, 0.00302193/step, 1.39932 hours remaining, 209.390625 MB of memory in use. ENERGY: 3333000 743.7266 2154.2976 1926.6306 113.1186 -205850.7996 17568.5956 0.0000 0.0000 34133.0473 -149211.3833 298.0924 -183344.4306 -149119.6693 299.4391 -176.5366 -144.7517 557136.1516 -7.7930 -7.6134 PRESSURE: 3333200 -255.845 -81.2607 -108.827 -81.2592 212.803 -83.8126 -108.826 -83.8129 39.3908 GPRESSURE: 3333200 -187.552 -145.467 -81.0598 -49.1617 247.645 -70.7141 -141.288 -70.6075 34.3623 PRESSAVG: 3333200 -16.6715 36.3359 -77.7676 36.336 0.327573 -11.7688 -77.7676 -11.7689 0.437094 GPRESSAVG: 3333200 -15.0278 36.6376 -77.5211 35.8981 0.306886 -12.5693 -77.0518 -10.4834 -0.787289 TIMING: 3333200 CPU: 10035.6, 0.00301199/step Wall: 10035.6, 0.00301199/step, 1.39455 hours remaining, 209.460938 MB of memory in use. ENERGY: 3333200 726.6715 2116.0827 1968.3133 105.6084 -205935.8075 17763.7586 0.0000 0.0000 34046.0140 -149209.3589 297.3323 -183255.3730 -149109.8362 299.1683 -1.2171 31.4852 558999.8120 -5.3023 -5.1694 PRESSURE: 3333400 -181.019 63.9856 -33.3823 63.9858 -125.151 150.164 -33.3825 150.164 -173.166 GPRESSURE: 3333400 -161.909 -40.2916 -2.62617 2.08704 -87.399 181.193 -58.353 80.0485 -121.948 PRESSAVG: 3333400 -53.3776 6.82997 -13.243 6.82997 40.13 -7.15164 -13.2431 -7.1517 18.4443 GPRESSAVG: 3333400 -54.0165 5.44364 -13.6714 7.57925 40.2152 -9.40762 -10.7846 -4.91814 18.219 TIMING: 3333400 CPU: 10036.2, 0.00300068/step Wall: 10036.2, 0.00300068/step, 1.38915 hours remaining, 209.460938 MB of memory in use. ENERGY: 3333400 768.1830 2138.5762 1936.9199 101.8929 -205947.2237 17639.7575 0.0000 0.0000 34176.9347 -149184.9595 298.4757 -183361.8942 -149098.1350 299.0581 -159.7786 -123.7522 557410.6869 1.7322 1.4726 PRESSURE: 3333600 23.9135 -175.865 67.2676 -175.864 -136.334 128.394 67.267 128.393 -3.40058 GPRESSURE: 3333600 20.5732 -148.085 45.7125 -167.57 -139.339 111.085 89.8876 91.2086 89.0775 PRESSAVG: 3333600 -14.1634 -36.8587 -36.201 -36.8587 25.7574 17.2437 -36.201 17.2437 -24.7116 GPRESSAVG: 3333600 -14.0133 -37.5856 -35.205 -36.8952 26.8413 15.9893 -38.1266 16.7027 -25.6013 TIMING: 3333600 CPU: 10036.8, 0.00302072/step Wall: 10036.8, 0.00302072/step, 1.39826 hours remaining, 209.460938 MB of memory in use. ENERGY: 3333600 732.9871 2155.7471 1921.2911 119.2411 -206146.1086 17723.8548 0.0000 0.0000 34185.5637 -149307.4238 298.5510 -183492.9875 -149213.3435 299.4288 -38.6071 -9.8961 557269.8676 -4.3725 -4.2578 PRESSURE: 3333800 -149.906 95.2979 -16.0391 95.2975 73.076 -82.3152 -16.0387 -82.3172 -69.6377 GPRESSURE: 3333800 -150.737 9.20538 99.0597 75.0694 141.242 -108.485 -33.6486 -38.956 -40.0199 PRESSAVG: 3333800 -19.7736 20.308 -17.7577 20.3079 35.7241 -52.6657 -17.7577 -52.6657 33.4277 GPRESSAVG: 3333800 -19.14 21.5826 -16.9074 19.1571 34.4279 -50.1907 -17.9171 -53.8415 34.7405 TIMING: 3333800 CPU: 10037.4, 0.0029931/step Wall: 10037.4, 0.0029931/step, 1.38531 hours remaining, 209.460938 MB of memory in use. ENERGY: 3333800 725.4265 2069.7904 1945.6555 118.5972 -205752.6289 17590.9063 0.0000 0.0000 33929.9036 -149372.3495 296.3183 -183302.2530 -149274.0189 298.7508 -48.8227 -16.5049 558163.5748 16.4594 16.6761 PRESSURE: 3334000 -109.121 99.3939 -49.918 99.3933 -53.4593 -47.0548 -49.9183 -47.055 127.22 GPRESSURE: 3334000 -83.8072 108.808 -8.11111 135.334 -62.874 -30.9831 -71.6804 -40.3687 209.508 PRESSAVG: 3334000 -43.1745 -14.5123 36.6341 -14.5123 32.8049 -71.7088 36.6342 -71.7089 43.4733 GPRESSAVG: 3334000 -43.6796 -12.3241 35.0826 -15.1873 32.4815 -72.7621 37.1936 -70.5461 44.0928 TIMING: 3334000 CPU: 10038, 0.0030408/step Wall: 10038, 0.0030408/step, 1.40722 hours remaining, 209.460938 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: 3334000 751.5563 2093.7386 1914.3661 115.3280 -206144.6383 17731.9451 0.0000 0.0000 34166.1646 -149371.5396 298.3816 -183537.7042 -149276.3569 299.0051 -11.7864 20.9422 557005.2455 11.0346 10.9649 PRESSURE: 3334200 -6.33136 -35.1568 -159.966 -35.1577 -132.238 -5.57166 -159.967 -5.57235 -175.947 GPRESSURE: 3334200 46.767 -1.1674 -127.448 -8.90533 -128.559 -53.2591 -84.2347 -3.23045 -133.563 PRESSAVG: 3334200 -32.218 -2.54662 -11.2487 -2.54663 59.0682 -30.9061 -11.2486 -30.9061 3.47093 GPRESSAVG: 3334200 -32.9868 -3.02163 -11.8651 -1.46277 59.3494 -28.4597 -11.7436 -31.3652 4.65978 TIMING: 3334200 CPU: 10038.6, 0.00304959/step Wall: 10038.6, 0.00304959/step, 1.41111 hours remaining, 209.460938 MB of memory in use. ENERGY: 3334200 730.9390 2056.3765 1927.2925 118.6536 -206246.9198 17653.8185 0.0000 0.0000 34224.3830 -149535.4568 298.8900 -183759.8397 -149439.2955 299.3354 -104.8388 -71.7849 556310.3519 10.1071 10.3408 PRESSURE: 3334400 59.5056 21.4257 -209.946 21.4254 -54.2914 53.9794 -209.945 53.98 -252.362 GPRESSURE: 3334400 147.568 -7.99686 -239.777 82.2098 -37.6614 -14.4016 -167.221 101.045 -256.596 PRESSAVG: 3334400 4.26928 21.8498 -32.3778 21.8499 46.1374 -18.3073 -32.3779 -18.3074 -60.0636 GPRESSAVG: 3334400 5.77648 19.134 -32.3624 23.3019 45.8203 -19.4764 -31.6895 -18.5354 -60.8822 TIMING: 3334400 CPU: 10039.2, 0.00301961/step Wall: 10039.2, 0.00301961/step, 1.39707 hours remaining, 209.460938 MB of memory in use. ENERGY: 3334400 757.2841 2049.8333 1924.6749 86.7969 -206340.0021 17845.5220 0.0000 0.0000 34163.9670 -149511.9240 298.3624 -183675.8909 -149416.6778 298.4089 -82.3824 -48.8964 558573.5843 -3.2190 -3.0951 PRESSURE: 3334600 -138.44 -128.668 67.8883 -128.668 -292.105 -181.008 67.8887 -181.007 -370.936 GPRESSURE: 3334600 -119.798 -67.8698 145.581 -134.63 -230.063 -155.389 87.0514 -169.147 -350.929 PRESSAVG: 3334600 92.1463 16.0135 -44.785 16.0135 -18.6358 -39.6473 -44.785 -39.6473 -84.0292 GPRESSAVG: 3334600 92.6246 15.3664 -43.9935 14.3459 -17.9401 -41.5299 -45.1012 -38.7799 -85.1791 TIMING: 3334600 CPU: 10039.8, 0.0030025/step Wall: 10039.8, 0.0030025/step, 1.38899 hours remaining, 209.460938 MB of memory in use. ENERGY: 3334600 763.2942 2040.6785 1918.9156 117.7402 -205937.0749 17623.8858 0.0000 0.0000 33950.5568 -149522.0037 296.4987 -183472.5606 -149424.8277 299.0936 -267.1604 -233.5968 558960.6992 -3.5062 -3.4982 PRESSURE: 3334800 -180.489 -13.5641 59.5126 -13.5634 30.466 37.9608 59.5113 37.9615 -10.9262 GPRESSURE: 3334800 -139.778 -14.905 39.0582 -31.7312 59.063 19.1856 30.9879 26.7702 15.4383 PRESSAVG: 3334800 -8.91496 -10.6833 -51.3425 -10.6834 6.63633 -29.4368 -51.3424 -29.4368 -4.36218 GPRESSAVG: 3334800 -9.61837 -7.91248 -51.5496 -12.6024 6.28816 -28.6825 -51.4512 -30.6141 -2.85947 TIMING: 3334800 CPU: 10040.4, 0.00297253/step Wall: 10040.4, 0.00297253/step, 1.37496 hours remaining, 209.460938 MB of memory in use. ENERGY: 3334800 726.1922 2120.7527 1964.6066 120.6536 -206281.1450 17809.5609 0.0000 0.0000 34036.1600 -149503.2190 297.2463 -183539.3790 -149403.9285 298.7153 -53.6496 -21.7589 558526.4760 -2.2136 -2.0632 PRESSURE: 3335000 -180.965 0.299684 121.175 0.299387 -400.29 0.907022 121.176 0.906088 -17.5407 GPRESSURE: 3335000 -158.322 -36.0954 74.1978 4.40325 -366.003 51.2394 194.345 76.7356 25.2227 PRESSAVG: 3335000 -75.4047 -12.8789 -7.73699 -12.8788 -8.17095 -25.2283 -7.73699 -25.2283 76.1022 GPRESSAVG: 3335000 -75.401 -13.6075 -6.35389 -12.4952 -7.80265 -22.957 -7.50939 -24.4269 75.977 TIMING: 3335000 CPU: 10041, 0.00295906/step Wall: 10041, 0.00295906/step, 1.36856 hours remaining, 209.460938 MB of memory in use. ENERGY: 3335000 714.0406 2064.3742 1933.0180 114.2723 -205952.5908 17412.0795 0.0000 0.0000 34189.6988 -149525.1075 298.5871 -183714.8063 -149436.9199 298.7113 -199.5983 -166.3676 559178.4131 -2.4911 -2.4089 PRESSURE: 3335200 -122.516 -236.437 67.5044 -236.435 37.1084 91.6861 67.504 91.6863 264.529 GPRESSURE: 3335200 -143.759 -231.142 117.673 -197.667 94.673 84.0977 29.7933 182.034 327.312 PRESSAVG: 3335200 -68.7739 -60.2693 6.49246 -60.2692 54.7552 31.2204 6.49248 31.2205 15.1047 GPRESSAVG: 3335200 -70.4127 -60.8827 5.82727 -56.9447 56.7449 31.2685 5.3706 29.7761 14.275 TIMING: 3335200 CPU: 10041.6, 0.00299566/step Wall: 10041.6, 0.00299566/step, 1.38533 hours remaining, 209.460938 MB of memory in use. ENERGY: 3335200 714.2628 2043.2476 1926.2512 116.6679 -206443.3922 18040.9831 0.0000 0.0000 34136.3960 -149465.5837 298.1216 -183601.9796 -149377.5082 298.6268 59.7072 92.7422 558126.7641 0.3620 0.2024 PRESSURE: 3335400 27.8409 -20.7182 69.0802 -20.7188 -98.5944 33.0034 69.0799 33.0053 -71.1836 GPRESSURE: 3335400 59.3333 -38.6231 31.7248 5.55188 -80.3616 47.4867 45.9505 -43.7083 -34.7029 PRESSAVG: 3335400 14.1256 7.3052 -5.96215 7.30518 0.269188 60.5379 -5.96217 60.5378 -45.6047 GPRESSAVG: 3335400 13.9577 6.30126 -7.47298 6.97754 0.301116 59.6975 -4.56902 60.6729 -45.4535 TIMING: 3335400 CPU: 10042.2, 0.0029908/step Wall: 10042.2, 0.0029908/step, 1.38291 hours remaining, 209.460938 MB of memory in use. ENERGY: 3335400 721.4115 2074.4308 1967.2479 101.7322 -206238.4988 17779.2361 0.0000 0.0000 34211.6128 -149382.8275 298.7785 -183594.4403 -149289.6032 297.8405 -47.3124 -18.5771 557975.6514 -10.4033 -10.3982 PRESSURE: 3335600 -135.87 -63.5843 23.12 -63.5861 -181.302 43.9188 23.1204 43.9176 -271.708 GPRESSURE: 3335600 -50.7663 -67.5947 1.39121 -42.2959 -196.553 22.0853 -57.5965 20.8415 -257.703 PRESSAVG: 3335600 -20.7298 -9.8344 41.9417 -9.83446 70.0302 5.18564 41.9417 5.18554 -38.4783 GPRESSAVG: 3335600 -18.9413 -10.1045 44.1908 -9.40876 68.3487 5.54702 42.1384 4.09649 -38.6509 TIMING: 3335600 CPU: 10042.8, 0.00296708/step Wall: 10042.8, 0.00296708/step, 1.37178 hours remaining, 209.460938 MB of memory in use. ENERGY: 3335600 746.7180 2108.8779 1914.7179 110.5947 -206358.4641 17734.8499 0.0000 0.0000 34334.7851 -149407.9206 299.8542 -183742.7057 -149312.5290 299.7058 -196.2935 -168.3409 557433.2032 3.6074 3.5855 PRESSURE: 3335800 -85.4345 -70.9543 -14.8353 -70.9544 -42.2424 -84.9152 -14.8346 -84.9139 -247.323 GPRESSURE: 3335800 -74.4139 -50.5118 20.5009 -53.4743 -15.6331 -165.826 -40.5226 -68.8198 -184.699 PRESSAVG: 3335800 20.7526 12.9324 -71.9285 12.9323 31.4933 -37.0831 -71.9284 -37.0832 -63.5904 GPRESSAVG: 3335800 20.5185 13.4486 -71.2493 11.1733 32.3147 -38.0464 -74.0256 -34.9607 -63.6997 TIMING: 3335800 CPU: 10043.4, 0.00299084/step Wall: 10043.4, 0.00299084/step, 1.3826 hours remaining, 209.460938 MB of memory in use. ENERGY: 3335800 789.5952 2073.9956 1921.1418 114.3536 -206245.6730 17737.2815 0.0000 0.0000 34318.0634 -149291.2418 299.7082 -183609.3052 -149195.2134 298.5480 -124.9998 -91.5820 556278.2723 -3.7815 -3.6222 PRESSURE: 3336000 -56.4361 8.28116 22.4106 8.28182 91.9801 -27.442 22.41 -27.4417 -291.93 GPRESSURE: 3336000 -41.7135 -42.7061 102.689 33.6068 143.824 60.4071 72.3557 -126.209 -261.962 PRESSAVG: 3336000 34.4959 -5.45274 -19.2633 -5.45268 -28.611 30.6705 -19.2634 30.6704 -27.7545 GPRESSAVG: 3336000 33.2574 -6.17462 -19.0308 -3.50461 -28.2777 30.7809 -17.6691 28.6428 -27.2234 TIMING: 3336000 CPU: 10043.9, 0.00298183/step Wall: 10043.9, 0.00298183/step, 1.37827 hours remaining, 209.460938 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: 3336000 724.8480 2087.5122 1928.2970 113.9378 -205768.4216 17653.2861 0.0000 0.0000 34004.3462 -149256.1944 296.9684 -183260.5406 -149157.3693 299.4482 -85.4621 -53.2839 558890.9269 -7.2898 -7.4146 PRESSURE: 3336200 -140.584 -13.3062 51.1566 -13.3052 -134.73 -73.4208 51.1577 -73.42 211.738 GPRESSURE: 3336200 -54.3246 -22.368 7.00088 61.8564 -133.473 -63.2149 79.1809 -84.7859 208.772 PRESSAVG: 3336200 50.24 4.97665 -39.4814 4.97671 -49.204 16.1901 -39.4814 16.1901 23.7308 GPRESSAVG: 3336200 50.0124 4.68467 -41.8269 5.36839 -49.6928 15.717 -38.98 16.3576 24.5926 TIMING: 3336200 CPU: 10044.6, 0.00300786/step Wall: 10044.6, 0.00300786/step, 1.39013 hours remaining, 209.460938 MB of memory in use. ENERGY: 3336200 761.3599 2130.0545 1928.3123 107.4859 -206080.7062 17827.0957 0.0000 0.0000 33997.7321 -149328.6658 296.9107 -183326.3979 -149236.1931 298.5732 -21.1919 6.9913 557973.8082 8.2556 8.3041 LDB: ============= START OF LOAD BALANCING ============== 10048.1 LDB: ============== END OF LOAD BALANCING =============== 10048.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10048.1 LDB: ============= START OF LOAD BALANCING ============== 10048.4 LDB: Largest compute 4802 load 0.028531 is 24.1% of average load 0.118157 LDB: Average compute 0.001739 is 1.5% of average load 0.118157 LDB: TIME 10048.4 LOAD: AVG 0.118157 MAX 0.208274 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.453 MB LDB: TIME 10048.4 LOAD: AVG 0.118157 MAX 0.208274 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.453 MB LDB: TIME 10048.4 LOAD: AVG 0.118157 MAX 0.208274 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.453 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10048.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10048.4 PRESSURE: 3336400 198.925 110.5 -1.87284 110.501 203.594 -80.0518 -1.87301 -80.0512 273.849 GPRESSURE: 3336400 204.783 60.8695 28.8457 -33.0294 275.101 -15.4517 41.8438 -143.868 289.206 PRESSAVG: 3336400 -0.317067 54.9426 -14.3388 54.9426 -22.7743 13.1177 -14.3389 13.1176 26.6133 GPRESSAVG: 3336400 1.66157 57.6004 -12.543 51.8264 -22.7027 14.5925 -15.8529 13.2663 24.5707 TIMING: 3336400 CPU: 10045.2, 0.00305438/step Wall: 10045.2, 0.00305438/step, 1.41146 hours remaining, 210.347656 MB of memory in use. ENERGY: 3336400 711.3867 2062.9926 1930.7070 110.6649 -206185.7690 17896.9633 0.0000 0.0000 34335.6176 -149137.4369 299.8615 -183473.0545 -149046.6044 298.3693 225.4558 256.3632 556727.6042 1.1740 1.1765 PRESSURE: 3336600 -44.6677 -15.1316 -89.6137 -15.131 -141.815 -30.7656 -89.6145 -30.7664 -186.131 GPRESSURE: 3336600 -9.90911 32.0527 -117.447 3.69075 -152.506 58.4336 -134.173 -59.5023 -113.4 PRESSAVG: 3336600 27.0564 5.37747 -0.629683 5.37753 -43.778 17.8669 -0.629811 17.867 42.0392 GPRESSAVG: 3336600 26.8032 3.68201 -2.17478 6.67265 -45.1122 16.1705 1.16888 17.3591 43.4482 TIMING: 3336600 CPU: 10045.8, 0.00300151/step Wall: 10045.8, 0.00300151/step, 1.38687 hours remaining, 210.550781 MB of memory in use. ENERGY: 3336600 719.3115 2090.8278 1940.8983 119.5247 -205866.9959 17501.6176 0.0000 0.0000 34224.2417 -149270.5743 298.8888 -183494.8161 -149171.8454 299.2477 -124.2047 -91.9382 557926.5890 8.4392 8.3797 PRESSURE: 3336800 88.141 -94.5022 -44.1735 -94.5032 147.248 8.0227 -44.1732 8.02365 75.0415 GPRESSURE: 3336800 121.501 -62.7863 -102.808 -29.2175 190.257 -60.728 7.85119 -14.0854 95.0577 PRESSAVG: 3336800 -61.3604 -4.71041 -31.7298 -4.71058 53.7222 16.2913 -31.7298 16.2912 15.0554 GPRESSAVG: 3336800 -62.583 -5.4124 -30.825 -5.23319 54.5765 16.9777 -30.7025 18.4759 15.1339 TIMING: 3336800 CPU: 10046.4, 0.0029864/step Wall: 10046.4, 0.0029864/step, 1.37972 hours remaining, 210.550781 MB of memory in use. ENERGY: 3336800 728.3980 2166.7294 1929.3173 125.9541 -206450.1480 17907.6697 0.0000 0.0000 34332.7530 -149259.3264 299.8365 -183592.0794 -149166.2657 299.6568 103.4768 135.6053 557011.5629 2.4724 2.3758 PRESSURE: 3337000 -165.208 25.19 -14.1366 25.1911 -163.981 11.2018 -14.1353 11.1999 -153.531 GPRESSURE: 3337000 -139.202 -5.18241 -7.97512 -39.8221 -143.288 -30.5624 29.1291 22.4269 -98.299 PRESSAVG: 3337000 -46.2492 -7.94576 -6.33623 -7.94579 -6.61211 -38.9545 -6.33624 -38.9545 83.0295 GPRESSAVG: 3337000 -45.7934 -6.2707 -6.36001 -7.12803 -6.79028 -38.0199 -8.11633 -41.625 82.8566 TIMING: 3337000 CPU: 10047, 0.00297624/step Wall: 10047, 0.00297624/step, 1.37486 hours remaining, 210.550781 MB of memory in use. ENERGY: 3337000 728.9248 2074.1581 1928.5025 111.6700 -206269.2761 17914.4212 0.0000 0.0000 34378.2674 -149133.3320 300.2340 -183511.5994 -149029.7922 300.1800 -160.9068 -126.9298 558658.2078 10.0560 10.0910 PRESSURE: 3337200 -104.935 -134.68 -161.146 -134.679 -102.946 7.6156 -161.147 7.61568 -39.2111 GPRESSURE: 3337200 -40.7948 -131.862 -161.639 -145.355 -56.2873 -5.32909 -64.1046 22.6817 -64.7472 PRESSAVG: 3337200 -16.5625 8.96488 -16.6137 8.96486 9.00654 43.3157 -16.6137 43.3157 5.89239 GPRESSAVG: 3337200 -15.301 7.74829 -14.7485 10.1502 8.89476 43.252 -16.6426 44.5855 4.98363 TIMING: 3337200 CPU: 10047.6, 0.00297754/step Wall: 10047.6, 0.00297754/step, 1.37529 hours remaining, 210.550781 MB of memory in use. ENERGY: 3337200 733.6188 2103.8140 1952.7857 109.2134 -206051.7900 17753.2122 0.0000 0.0000 34313.7392 -149085.4067 299.6704 -183399.1459 -148988.3836 299.9897 -82.3639 -53.9431 558767.6615 -0.5545 -0.4742 PRESSURE: 3337400 42.3193 8.48002 100.628 8.48038 10.9196 145.549 100.628 145.549 -20.208 GPRESSURE: 3337400 33.588 119.04 144.8 -49.4243 14.9631 163.529 104.611 162.153 88.9639 PRESSAVG: 3337400 72.3534 19.7809 -22.9718 19.7809 48.7541 54.1544 -22.9718 54.1544 -102.881 GPRESSAVG: 3337400 71.5608 18.7076 -24.8845 19.3193 49.5351 53.3841 -23.2401 53.8019 -102.151 TIMING: 3337400 CPU: 10048.1, 0.00296547/step Wall: 10048.1, 0.00296547/step, 1.36955 hours remaining, 210.550781 MB of memory in use. ENERGY: 3337400 734.6784 2109.1461 1936.4558 122.9351 -206101.5632 17845.1937 0.0000 0.0000 34283.3418 -149069.8124 299.4050 -183353.1542 -148973.9545 299.5437 11.0103 45.8383 558281.6179 6.0756 6.3150 PRESSURE: 3337600 -103.795 -153.409 -86.747 -153.41 -4.30116 -60.5228 -86.7449 -60.5251 62.4445 GPRESSURE: 3337600 -97.5672 -144.076 -77.9218 -105.653 21.5289 -46.934 -90.1014 -34.6788 120.845 PRESSAVG: 3337600 19.9825 -33.4365 -38.5196 -33.4365 24.7502 39.2 -38.5197 39.2 -66.4505 GPRESSAVG: 3337600 20.2701 -30.0704 -39.3226 -35.2217 24.7918 39.8324 -38.7443 38.6482 -66.9211 TIMING: 3337600 CPU: 10048.7, 0.00296101/step Wall: 10048.7, 0.00296101/step, 1.36733 hours remaining, 210.550781 MB of memory in use. ENERGY: 3337600 739.3639 2098.5963 1939.5960 114.1076 -206085.3669 17838.8622 0.0000 0.0000 34142.1118 -149212.7291 298.1716 -183354.8409 -149116.9200 299.6283 -15.2172 14.9357 558732.6640 -7.2393 -7.2864 PRESSURE: 3337800 -40.7456 -68.0271 8.79149 -68.0271 21.6637 -48.4346 8.79195 -48.4334 224.775 GPRESSURE: 3337800 7.8027 -49.9686 9.04507 -50.4363 52.5644 -76.5042 57.0045 36.5905 246.059 PRESSAVG: 3337800 -7.18549 -3.51542 10.7298 -3.51546 -1.6284 19.7867 10.7298 19.7868 28.9787 GPRESSAVG: 3337800 -7.61794 -7.07345 12.5158 -0.738754 -1.30347 19.9023 12.6069 20.0872 29.2436 TIMING: 3337800 CPU: 10049.3, 0.0029784/step Wall: 10049.3, 0.0029784/step, 1.37519 hours remaining, 210.550781 MB of memory in use. ENERGY: 3337800 743.2665 2123.8425 1941.6686 119.3978 -206290.1579 18061.9308 0.0000 0.0000 34185.6368 -149114.4149 298.5517 -183300.0517 -149018.4655 298.8281 68.5642 102.1419 558373.5008 6.7216 6.7741 PRESSURE: 3338000 163.053 -31.8862 150.726 -31.8858 -10.4705 -5.24708 150.726 -5.24922 92.2744 GPRESSURE: 3338000 181.185 3.93245 252.692 -78.6574 15.9566 104.779 78.3402 -58.1899 139.763 PRESSAVG: 3338000 -53.618 17.4328 90.3732 17.4327 -3.2071 -25.0372 90.3732 -25.0373 60.924 GPRESSAVG: 3338000 -53.5513 20.2124 88.504 14.4781 -4.61666 -25.8909 89.9176 -24.864 62.2757 TIMING: 3338000 CPU: 10049.9, 0.00298177/step Wall: 10049.9, 0.00298177/step, 1.37658 hours remaining, 210.550781 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: 3338000 721.0005 2081.2074 1937.7338 111.1637 -205956.2091 17903.3437 0.0000 0.0000 34236.0566 -148965.7035 298.9920 -183201.7601 -148865.8971 299.9002 81.6190 112.3017 558670.3703 1.3663 1.3692 PRESSURE: 3338200 -358.161 -18.0571 44.6229 -18.0559 81.3858 -23.8694 44.6237 -23.8703 -197.007 GPRESSURE: 3338200 -279.729 11.946 -9.79244 5.41504 93.6168 35.803 50.1537 -14.573 -198.185 PRESSAVG: 3338200 41.3518 -21.6391 41.8096 -21.6391 31.4702 -5.98051 41.8094 -5.98062 -43.0566 GPRESSAVG: 3338200 41.6466 -23.9727 42.4132 -19.5037 31.9975 -5.65869 41.1498 -5.74233 -43.9776 TIMING: 3338200 CPU: 10050.5, 0.00297236/step Wall: 10050.5, 0.00297236/step, 1.37207 hours remaining, 210.550781 MB of memory in use. ENERGY: 3338200 770.4741 2057.0419 1958.5648 112.0357 -205904.8711 17761.1804 0.0000 0.0000 34268.2590 -148977.3152 299.2732 -183245.5742 -148878.0793 300.0141 -157.9275 -128.0991 559302.2810 9.9218 9.8888 PRESSURE: 3338400 -75.0172 5.22745 -120.749 5.22848 95.3517 36.6817 -120.75 36.6793 -163.597 GPRESSURE: 3338400 -42.6213 3.73141 -32.7102 105.581 109.055 14.6968 -41.7137 95.8472 -102.833 PRESSAVG: 3338400 -36.2228 -8.77348 -13.7282 -8.77343 -7.39996 45.8968 -13.7281 45.8969 8.79014 GPRESSAVG: 3338400 -37.6852 -8.40429 -12.75 -7.03096 -7.09597 46.1691 -13.387 45.979 10.3924 TIMING: 3338400 CPU: 10051.1, 0.00296857/step Wall: 10051.1, 0.00296857/step, 1.37016 hours remaining, 210.550781 MB of memory in use. ENERGY: 3338400 755.1979 2062.0374 1915.0129 122.8840 -206319.6655 17894.4014 0.0000 0.0000 34470.5249 -149099.6070 301.0397 -183570.1319 -148997.2005 299.7428 -47.7540 -12.1331 557264.2346 -11.6109 -11.4629 PRESSURE: 3338600 -142.943 136.008 -112.048 136.008 133.988 -24.6775 -112.047 -24.6766 245.697 GPRESSURE: 3338600 -162.196 114.174 -72.4809 106.44 172.931 -110.89 -185.029 -19.6966 316.24 PRESSAVG: 3338600 -27.2942 13.2747 -75.4389 13.2747 -12.3192 35.1716 -75.4389 35.1716 18.1646 GPRESSAVG: 3338600 -26.9677 14.9135 -75.3863 10.2015 -12.2105 34.3962 -74.4654 35.7246 17.3372 TIMING: 3338600 CPU: 10051.7, 0.00297029/step Wall: 10051.7, 0.00297029/step, 1.37079 hours remaining, 210.550781 MB of memory in use. ENERGY: 3338600 707.1961 2098.4961 1935.4624 103.0718 -206227.2030 17792.9932 0.0000 0.0000 34257.0980 -149332.8854 299.1758 -183589.9835 -149232.1970 299.4153 78.9144 108.9916 557335.0868 -7.1496 -7.2804 PRESSURE: 3338800 -17.4706 129.814 30.185 129.814 -155.921 -16.2773 30.1851 -16.2781 -56.2571 GPRESSURE: 3338800 -35.4845 110.62 89.4209 72.7664 -121.258 -61.3344 15.7875 35.6234 22.0853 PRESSAVG: 3338800 -24.4758 -1.18671 10.7764 -1.18678 0.845607 27.5719 10.7764 27.5718 -14.1597 GPRESSAVG: 3338800 -24.7193 -1.9926 11.7054 -0.0610492 1.73633 28.8881 9.96336 25.734 -14.4999 TIMING: 3338800 CPU: 10052.3, 0.00296623/step Wall: 10052.3, 0.00296623/step, 1.36875 hours remaining, 210.550781 MB of memory in use. ENERGY: 3338800 730.4038 2116.7776 1925.0398 122.6831 -206245.2252 17837.0668 0.0000 0.0000 34207.2751 -149305.9791 298.7406 -183513.2542 -149210.6707 299.2824 -76.5496 -44.8856 558189.3857 -12.5966 -12.4943 PRESSURE: 3339000 297.036 70.9737 72.0491 70.9739 50.0559 -113.55 72.0495 -113.549 -166.602 GPRESSURE: 3339000 285.388 77.4509 51.574 116.263 98.8517 -157.149 75.3857 -71.047 -99.9001 PRESSAVG: 3339000 47.8081 -16.1687 -0.923503 -16.1688 -42.9948 -8.16375 -0.923445 -8.1637 -15.177 GPRESSAVG: 3339000 47.5559 -15.145 -2.89973 -16.1537 -42.9484 -7.28818 -0.979548 -7.90037 -14.8429 TIMING: 3339000 CPU: 10052.9, 0.0029772/step Wall: 10052.9, 0.0029772/step, 1.37365 hours remaining, 210.550781 MB of memory in use. ENERGY: 3339000 741.9075 2048.0482 1930.4367 111.5377 -206377.1266 17995.5020 0.0000 0.0000 34320.9643 -149228.7302 299.7335 -183549.6945 -149130.2847 299.4436 60.1631 94.7797 557990.1479 -3.4545 -3.4118 PRESSURE: 3339200 -208.151 -83.1805 62.832 -83.1805 -24.5606 -125.473 62.8331 -125.472 32.4137 GPRESSURE: 3339200 -122.089 -39.5077 97.0552 -126.915 -17.1676 -116.485 45.901 -191.9 25.7629 PRESSAVG: 3339200 -36.2821 -31.1968 -7.27128 -31.1969 20.4538 -78.6783 -7.27126 -78.6782 23.0397 GPRESSAVG: 3339200 -35.64 -33.1576 -8.39779 -30.2434 20.0079 -80.4237 -5.50803 -78.5754 22.4588 TIMING: 3339200 CPU: 10053.5, 0.00298223/step Wall: 10053.5, 0.00298223/step, 1.3758 hours remaining, 210.550781 MB of memory in use. ENERGY: 3339200 763.0745 2040.6875 1935.7003 114.3884 -206276.5721 17845.4606 0.0000 0.0000 34244.9577 -149332.3030 299.0697 -183577.2607 -149227.8373 298.9753 -66.7661 -37.8314 558264.5660 2.4038 2.2756 PRESSURE: 3339400 -82.8502 131.873 -52.814 131.872 -417.495 47.6109 -52.8148 47.6106 -138.516 GPRESSURE: 3339400 -49.8014 69.1726 -88.3616 158.72 -406.285 -29.5845 -59.4782 54.4464 -92.2386 PRESSAVG: 3339400 4.54783 73.32 37.036 73.32 -54.7798 -2.96397 37.036 -2.96403 55.2189 GPRESSAVG: 3339400 5.5215 71.7351 37.3566 74.5018 -55.5139 -2.93875 35.8463 -0.932841 55.3901 TIMING: 3339400 CPU: 10054.1, 0.00298022/step Wall: 10054.1, 0.00298022/step, 1.37471 hours remaining, 210.550781 MB of memory in use. ENERGY: 3339400 753.9834 2096.1819 1935.2691 118.1528 -205951.7552 17345.1015 0.0000 0.0000 34303.5267 -149399.5399 299.5812 -183703.0665 -149302.0867 298.7328 -212.9537 -182.7748 558341.2191 1.6623 1.7993 PRESSURE: 3339600 18.7149 -95.553 113.104 -95.5519 -102.348 10.6915 113.105 10.6923 87.8903 GPRESSURE: 3339600 34.784 -99.208 47.2922 -38.4753 -72.7995 -14.6403 140.39 28.0664 138.102 PRESSAVG: 3339600 21.3881 -0.720852 45.3937 -0.720811 -21.316 10.9735 45.3936 10.9735 -4.46275 GPRESSAVG: 3339600 19.4835 0.138658 46.0281 -0.035433 -20.2017 9.72988 44.5417 11.3924 -3.50436 TIMING: 3339600 CPU: 10054.7, 0.003038/step Wall: 10054.7, 0.003038/step, 1.40119 hours remaining, 210.550781 MB of memory in use. ENERGY: 3339600 750.5379 2099.6551 1941.2950 117.8773 -206451.4730 18006.2132 0.0000 0.0000 34248.3373 -149287.5572 299.0992 -183535.8945 -149189.1407 299.2600 1.4190 33.3623 558370.4627 -1.4636 -1.4075 PRESSURE: 3339800 25.4425 -137.532 31.253 -137.532 -80.0193 -237.502 31.2537 -237.503 -141.966 GPRESSURE: 3339800 86.1078 -76.1925 18.7472 -177.882 -108.331 -134.259 -31.934 -389.611 -75.3153 PRESSAVG: 3339800 6.68875 -37.1419 66.1029 -37.1419 -29.852 18.8997 66.103 18.8997 28.5539 GPRESSAVG: 3339800 7.08357 -37.07 66.7024 -38.5317 -29.285 19.5303 67.6097 15.2012 27.6795 TIMING: 3339800 CPU: 10055.3, 0.0030244/step Wall: 10055.3, 0.0030244/step, 1.39475 hours remaining, 210.550781 MB of memory in use. ENERGY: 3339800 750.8254 2071.6322 1945.0145 120.6068 -206181.8461 17679.4768 0.0000 0.0000 34250.1808 -149364.1095 299.1153 -183614.2903 -149270.5348 299.3157 -65.5143 -32.5128 559516.4006 1.7969 1.8260 PRESSURE: 3340000 -154.913 -107.443 68.8348 -107.444 -122.075 -55.0639 68.8357 -55.0628 58.9337 GPRESSURE: 3340000 -97.0112 -128.598 160.543 -101.494 -106.473 -61.2818 98.2356 -17.8802 73.6822 PRESSAVG: 3340000 -39.2925 3.88547 31.9617 3.88537 -69.1842 -48.5511 31.9615 -48.5511 36.9654 GPRESSAVG: 3340000 -39.0378 3.58349 31.6219 3.7214 -69.6915 -47.553 30.7378 -46.3979 36.7745 TIMING: 3340000 CPU: 10055.9, 0.00301234/step Wall: 10055.9, 0.00301234/step, 1.38903 hours remaining, 210.550781 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: 3340000 738.4141 2105.2080 1947.7965 120.2221 -206069.5393 17733.5521 0.0000 0.0000 34067.4124 -149356.9341 297.5192 -183424.3465 -149267.6300 298.7901 -72.6847 -43.2674 557653.4116 -23.8371 -23.9850 PRESSURE: 3340200 -44.212 103.502 75.2731 103.503 127.786 -67.4226 75.2737 -67.4213 -30.0232 GPRESSURE: 3340200 -14.3739 94.4662 130.629 101.879 141.951 2.26778 72.2344 -97.8965 34.6478 PRESSAVG: 3340200 -50.8419 -23.9749 61.3635 -23.9749 -13.9173 -18.0411 61.3634 -18.0409 70.398 GPRESSAVG: 3340200 -50.3618 -21.974 59.9261 -24.6321 -13.9106 -17.7393 62.7613 -18.7835 70.0426 TIMING: 3340200 CPU: 10056.5, 0.00302145/step Wall: 10056.5, 0.00302145/step, 1.39306 hours remaining, 210.550781 MB of memory in use. ENERGY: 3340200 718.6788 2083.7737 1931.8346 107.8856 -206077.4422 17774.3894 0.0000 0.0000 34249.7727 -149211.1075 299.1118 -183460.8802 -149114.5809 299.0157 17.8503 54.0751 558288.7599 1.8796 1.9234 LDB: ============= START OF LOAD BALANCING ============== 10060 LDB: ============== END OF LOAD BALANCING =============== 10060 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10060 LDB: ============= START OF LOAD BALANCING ============== 10060.3 LDB: Largest compute 4802 load 0.028629 is 24.2% of average load 0.118248 LDB: Average compute 0.001732 is 1.5% of average load 0.118248 LDB: TIME 10060.3 LOAD: AVG 0.118248 MAX 0.208804 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.227 MB LDB: TIME 10060.3 LOAD: AVG 0.118248 MAX 0.208804 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: TIME 10060.3 LOAD: AVG 0.118248 MAX 0.208804 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10060.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10060.3 PRESSURE: 3340400 -18.8062 -9.74788 14.6895 -9.74882 78.4106 -65.6321 14.6897 -65.6321 -193.184 GPRESSURE: 3340400 55.8284 66.9357 8.26314 -7.746 111.905 -57.7417 -30.2154 -121.619 -203.371 PRESSAVG: 3340400 -70.3007 27.2814 -46.8833 27.2813 13.9903 -11.4605 -46.8833 -11.4605 -3.36536 GPRESSAVG: 3340400 -70.1353 26.035 -46.1948 25.1571 13.8698 -13.1254 -47.9873 -8.35141 -3.35948 TIMING: 3340400 CPU: 10057.1, 0.00306263/step Wall: 10057.1, 0.00306263/step, 1.41187 hours remaining, 210.031250 MB of memory in use. ENERGY: 3340400 757.7161 2064.2139 1971.1822 107.8268 -206179.6025 17717.5560 0.0000 0.0000 34294.4236 -149266.6839 299.5017 -183561.1074 -149164.9960 299.2059 -44.5264 -11.8790 557998.2258 -19.8919 -19.8750 PRESSURE: 3340600 -8.80777 28.4083 -43.0803 28.4081 95.0934 72.9129 -43.0806 72.9135 28.7178 GPRESSURE: 3340600 60.0457 20.5172 -30.7681 76.5032 99.4268 52.1931 -54.6249 18.2527 59.9238 PRESSAVG: 3340600 -34.12 27.1781 -15.7461 27.1781 45.4441 -23.666 -15.7462 -23.6661 -57.8052 GPRESSAVG: 3340600 -34.5091 25.6101 -15.1198 29.7144 45.2418 -24.5147 -16.5233 -26.7924 -57.4674 TIMING: 3340600 CPU: 10057.7, 0.00303487/step Wall: 10057.7, 0.00303487/step, 1.39891 hours remaining, 210.371094 MB of memory in use. ENERGY: 3340600 732.4859 2091.5504 1933.7202 119.1189 -206331.4848 17900.1789 0.0000 0.0000 34310.0106 -149244.4199 299.6379 -183554.4304 -149140.2919 298.8900 38.3345 73.1321 557593.4194 -15.4937 -15.5783 PRESSURE: 3340800 -53.0008 21.1129 -75.4654 21.1139 -132.249 -220.716 -75.4658 -220.716 159.105 GPRESSURE: 3340800 0.272128 2.39169 -106.125 -32.4898 -146.129 -176.768 14.4353 -216.399 214.7 PRESSAVG: 3340800 -28.3959 44.5008 -13.9338 44.5009 30.248 3.38841 -13.9339 3.38824 0.517605 GPRESSAVG: 3340800 -28.5372 45.8765 -13.8748 42.4448 31.0351 4.83838 -14.3109 4.52082 -0.00861928 TIMING: 3340800 CPU: 10058.3, 0.00304296/step Wall: 10058.3, 0.00304296/step, 1.40247 hours remaining, 210.371094 MB of memory in use. ENERGY: 3340800 740.5306 2099.8043 1929.9689 116.6033 -206375.0792 17890.7596 0.0000 0.0000 34523.5715 -149073.8410 301.5029 -183597.4124 -148966.2935 299.2063 -8.7151 22.9474 557255.7818 0.7899 0.8298 PRESSURE: 3341000 11.1533 -9.64891 -132.544 -9.64724 205.383 -188.949 -132.545 -188.948 117.965 GPRESSURE: 3341000 13.5486 -26.6186 -42.0948 -2.87285 235.349 -108.85 -130.195 -202.608 184.157 PRESSAVG: 3341000 -2.98183 28.2193 4.14639 28.2194 47.8562 -14.6349 4.14642 -14.6349 -3.02864 GPRESSAVG: 3341000 -2.6658 30.6723 1.1319 28.6264 46.46 -12.5028 7.2305 -17.3423 -1.76733 TIMING: 3341000 CPU: 10058.9, 0.00299437/step Wall: 10058.9, 0.00299437/step, 1.37991 hours remaining, 210.371094 MB of memory in use. ENERGY: 3341000 755.1410 2164.1064 1933.3888 117.9778 -206519.5045 18094.9364 0.0000 0.0000 34395.8164 -149058.1377 300.3872 -183453.9541 -148952.2916 300.1056 111.5005 144.3515 557733.5604 13.9486 14.0089 PRESSURE: 3341200 -141.739 -156.381 -62.4769 -156.382 -253.537 -32.6273 -62.4777 -32.6273 -142.453 GPRESSURE: 3341200 -155.062 -228.543 -67.103 -146.584 -198.153 -47.1582 -88.9349 -2.35151 -88.8245 PRESSAVG: 3341200 -75.1926 -64.4461 -0.691957 -64.4461 58.0986 -22.9788 -0.692009 -22.979 48.5793 GPRESSAVG: 3341200 -74.299 -67.0421 3.34014 -64.7269 59.4404 -24.7408 -2.15422 -20.1423 47.1048 TIMING: 3341200 CPU: 10059.5, 0.00298601/step Wall: 10059.5, 0.00298601/step, 1.37589 hours remaining, 210.371094 MB of memory in use. ENERGY: 3341200 785.7005 2127.5954 1958.7246 119.4967 -206106.5706 17684.1209 0.0000 0.0000 34214.8059 -149216.1266 298.8064 -183430.9325 -149120.3565 300.1971 -179.2431 -147.3464 559125.9315 10.4951 10.7487 PRESSURE: 3341400 -11.4779 58.3295 -100.789 58.3294 156.467 -54.4303 -100.789 -54.4312 -60.2152 GPRESSURE: 3341400 8.27694 67.1611 -83.4391 116.661 188.701 -67.189 -134.255 -1.01794 -10.8343 PRESSAVG: 3341400 -15.5975 -25.588 -69.7524 -25.588 86.0575 -29.7581 -69.7524 -29.7582 -56.503 GPRESSAVG: 3341400 -15.69 -24.0082 -71.0949 -26.4256 84.9266 -30.2519 -69.1843 -30.1981 -56.0682 TIMING: 3341400 CPU: 10060.1, 0.00298894/step Wall: 10060.1, 0.00298894/step, 1.37707 hours remaining, 210.371094 MB of memory in use. ENERGY: 3341400 769.9024 2084.5251 1936.9731 105.0810 -206650.2880 18082.0751 0.0000 0.0000 34274.4481 -149397.2833 299.3273 -183671.7313 -149300.7145 299.3717 28.2578 62.0479 557344.4482 4.6523 4.3895 PRESSURE: 3341600 123.822 -87.2997 81.0809 -87.2989 -71.6201 -164.649 81.0791 -164.652 -49.3159 GPRESSURE: 3341600 123.309 -119.299 64.1105 -86.4294 -46.9145 -171.253 64.0757 -168.711 29.6741 PRESSAVG: 3341600 -6.58614 42.1302 -22.0544 42.1302 -36.0045 -48.4328 -22.0544 -48.4327 -4.10077 GPRESSAVG: 3341600 -7.25853 41.7155 -23.7091 42.9703 -36.5934 -49.5975 -21.9886 -47.1338 -3.32693 TIMING: 3341600 CPU: 10060.7, 0.00298732/step Wall: 10060.7, 0.00298732/step, 1.37616 hours remaining, 210.371094 MB of memory in use. ENERGY: 3341600 747.4520 2094.7952 1950.5822 114.9191 -206639.6964 17842.0848 0.0000 0.0000 34262.6480 -149627.2151 299.2242 -183889.8631 -149524.9361 298.5144 0.9621 35.3563 556595.3445 -15.5638 -15.7263 PRESSURE: 3341800 129.353 -60.0777 -30.7378 -60.0771 55.9659 -207.97 -30.7389 -207.972 -89.7681 GPRESSURE: 3341800 156.276 -97.8154 -8.74144 -41.9126 56.1775 -222.716 -13.2181 -136.89 -20.5845 PRESSAVG: 3341800 -34.7162 -52.3097 -5.51538 -52.3097 65.7206 -59.7853 -5.51536 -59.7855 -40.4747 GPRESSAVG: 3341800 -35.7572 -51.5211 -4.07951 -53.841 67.6074 -59.2113 -4.43392 -62.1791 -41.1203 TIMING: 3341800 CPU: 10061.3, 0.00298239/step Wall: 10061.3, 0.00298239/step, 1.37372 hours remaining, 210.371094 MB of memory in use. ENERGY: 3341800 740.2835 2076.8275 1952.2666 119.1372 -206236.6299 17895.0583 0.0000 0.0000 34128.3980 -149324.6588 298.0518 -183453.0568 -149231.3993 298.6377 31.8503 63.9562 556490.6202 -3.1567 -3.0900 PRESSURE: 3342000 -246.518 71.5506 175.594 71.5502 41.8371 56.5125 175.594 56.5122 50.4263 GPRESSURE: 3342000 -211.063 -13.3958 129.29 74.8571 25.9918 39.3945 208.805 16.1225 128.654 PRESSAVG: 3342000 -5.57813 -4.65715 18.0176 -4.65713 27.2076 -41.7799 18.0176 -41.7799 -10.3695 GPRESSAVG: 3342000 -4.09478 -3.69937 16.4375 -6.46483 25.7161 -41.6949 16.5613 -42.1251 -10.114 TIMING: 3342000 CPU: 10061.9, 0.00300772/step Wall: 10061.9, 0.00300772/step, 1.38522 hours remaining, 210.371094 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: 3342000 747.2855 2101.6857 1956.1332 117.6550 -206014.5508 17578.3857 0.0000 0.0000 34341.8305 -149171.5752 299.9157 -183513.4057 -149079.8953 299.4666 -51.4182 -18.8058 555356.0447 3.7533 3.8358 PRESSURE: 3342200 -210.969 -2.83627 -81.1215 -2.83595 -23.3186 14.1008 -81.1204 14.1007 -29.8631 GPRESSURE: 3342200 -204.297 8.17446 -51.9076 -82.1494 49.8117 11.3645 -83.9812 35.3408 -25.8247 PRESSAVG: 3342200 -30.704 -9.71685 -8.6707 -9.71686 55.9123 6.73871 -8.6707 6.73869 -36.7077 GPRESSAVG: 3342200 -32.2632 -11.6307 -8.69517 -7.74089 57.2882 7.65732 -9.36528 8.99263 -36.7397 TIMING: 3342200 CPU: 10062.5, 0.00301454/step Wall: 10062.5, 0.00301454/step, 1.38819 hours remaining, 210.371094 MB of memory in use. ENERGY: 3342200 754.3184 2167.1172 1905.9391 116.2026 -206265.1743 17776.8933 0.0000 0.0000 34326.3064 -149218.3972 299.7802 -183544.7036 -149126.1502 299.4528 -88.0502 -60.1034 557223.1750 -3.8331 -3.9049 PRESSURE: 3342400 315.427 122.38 -153.235 122.381 81.1207 -127.575 -153.234 -127.576 178.138 GPRESSURE: 3342400 271.614 63.1145 -92.1433 122.22 149.891 -121.691 -202.24 -149.734 245.127 PRESSAVG: 3342400 -78.2467 45.7867 -27.01 45.7867 17.8055 -35.0009 -27.01 -35.0009 63.6618 GPRESSAVG: 3342400 -77.353 46.5208 -25.4122 45.6342 16.1514 -35.2439 -27.0846 -37.799 64.5459 TIMING: 3342400 CPU: 10063.1, 0.00301172/step Wall: 10063.1, 0.00301172/step, 1.38673 hours remaining, 210.574219 MB of memory in use. ENERGY: 3342400 755.0442 2075.3212 1921.3324 117.8839 -206565.3976 18138.1512 0.0000 0.0000 34304.5875 -149253.0773 299.5905 -183557.6647 -149155.1077 299.1290 191.5619 222.2104 556443.3970 1.0736 1.1147 PRESSURE: 3342600 198.427 -12.6201 38.0718 -12.6197 -81.5761 65.836 38.0728 65.8364 353.126 GPRESSURE: 3342600 237.249 19.586 55.5617 -67.0654 -81.3619 24.0091 29.1194 95.6244 405.142 PRESSAVG: 3342600 -21.5719 9.36934 -111.485 9.36944 27.0601 -36.0111 -111.485 -36.0113 45.417 GPRESSAVG: 3342600 -20.6965 9.03936 -112.464 9.53497 26.6009 -36.9603 -110.714 -33.8475 44.5566 TIMING: 3342600 CPU: 10063.7, 0.00305231/step Wall: 10063.7, 0.00305231/step, 1.40525 hours remaining, 210.574219 MB of memory in use. ENERGY: 3342600 750.8690 2094.4376 1937.1366 111.0977 -206642.1733 18236.1666 0.0000 0.0000 34185.3200 -149327.1458 298.5489 -183512.4658 -149231.4127 298.8600 156.6591 187.0099 558303.9486 16.9684 16.8203 PRESSURE: 3342800 79.2946 9.31939 -61.2277 9.31946 244.461 -88.5025 -61.2286 -88.5045 26.3135 GPRESSURE: 3342800 104.043 -31.4475 -32.0713 38.3636 264.812 10.74 -47.2293 -112.8 76.9458 PRESSAVG: 3342800 6.23579 5.77836 -35.6496 5.77844 -10.4023 -56.8009 -35.6496 -56.801 11.2841 GPRESSAVG: 3342800 5.88319 4.18043 -37.2694 7.06945 -9.90406 -54.5468 -33.89 -59.2502 11.3301 TIMING: 3342800 CPU: 10064.3, 0.00301274/step Wall: 10064.3, 0.00301274/step, 1.38686 hours remaining, 210.574219 MB of memory in use. ENERGY: 3342800 729.7302 2102.9201 1913.5001 117.1747 -206298.5256 17913.8709 0.0000 0.0000 34053.5657 -149467.7639 297.3983 -183521.3297 -149370.7905 298.6818 116.6897 148.6002 558674.7368 2.3725 2.4364 PRESSURE: 3343000 11.231 28.4956 108.109 28.4939 -12.8929 6.577 108.109 6.5768 125.599 GPRESSURE: 3343000 126.476 -8.7053 178.88 -12.2219 2.41957 101.412 144.899 57.4425 86.3865 PRESSAVG: 3343000 15.5803 11.6382 12.635 11.6382 -28.1392 -0.287274 12.6349 -0.287288 18.4488 GPRESSAVG: 3343000 16.1117 9.79842 13.2461 14.1463 -28.3044 -1.26102 12.308 1.15693 18.0558 TIMING: 3343000 CPU: 10064.9, 0.00297977/step Wall: 10064.9, 0.00297977/step, 1.37152 hours remaining, 210.574219 MB of memory in use. ENERGY: 3343000 794.0987 2102.3728 1929.0806 115.5130 -206499.9237 18059.7235 0.0000 0.0000 33943.4499 -149555.6850 296.4366 -183499.1350 -149463.9013 298.3049 41.3125 71.7606 558627.5931 1.9633 1.9544 PRESSURE: 3343200 -238.847 -178.524 130.041 -178.524 308.741 -122.728 130.042 -122.727 -175.604 GPRESSURE: 3343200 -156.921 -99.6446 215.505 -164.108 353.205 -174.57 142.536 -158.821 -205.129 PRESSAVG: 3343200 5.17181 2.32423 66.6839 2.32422 41.7965 -10.5282 66.684 -10.5282 -16.0735 GPRESSAVG: 3343200 5.81117 4.70601 69.632 -1.79151 42.5134 -11.032 65.0335 -8.07614 -17.6083 TIMING: 3343200 CPU: 10065.5, 0.00300994/step Wall: 10065.5, 0.00300994/step, 1.38524 hours remaining, 210.574219 MB of memory in use. ENERGY: 3343200 752.0926 2073.2132 1909.5147 111.8985 -206223.9736 17962.5588 0.0000 0.0000 33964.0808 -149450.6149 296.6168 -183414.6957 -149354.4461 297.9919 -35.2365 -2.9482 559917.6344 10.2982 10.2387 PRESSURE: 3343400 73.1372 122.727 27.1275 122.727 -52.6744 -52.1173 27.1269 -52.1156 -156.089 GPRESSURE: 3343400 93.7344 122.837 109.2 133.202 -15.0078 -137.095 45.6387 18.6005 -117.998 PRESSAVG: 3343400 -110.821 -33.3662 69.8644 -33.3662 14.3756 9.14367 69.8645 9.14372 50.3552 GPRESSAVG: 3343400 -111.275 -33.772 67.9367 -32.3915 13.7196 9.20017 70.6388 7.38561 51.4956 TIMING: 3343400 CPU: 10066.2, 0.00305634/step Wall: 10066.2, 0.00305634/step, 1.40643 hours remaining, 210.574219 MB of memory in use. ENERGY: 3343400 766.9209 2104.2995 1958.5853 116.4728 -206482.5496 17953.3652 0.0000 0.0000 34144.9436 -149437.9622 298.1963 -183582.9059 -149336.0967 298.0194 -45.2088 -13.0906 559653.2655 -15.3635 -15.3531 PRESSURE: 3343600 -47.5905 58.5754 -89.9924 58.5749 -76.6732 -33.1646 -89.9928 -33.165 22.2254 GPRESSURE: 3343600 -0.760454 57.3212 -123.723 51.4507 -11.1578 -84.5613 -82.7239 -33.5237 19.2493 PRESSAVG: 3343600 -6.61861 4.51231 50.4415 4.51224 71.9562 -25.036 50.4416 -25.0361 -44.0694 GPRESSAVG: 3343600 -7.35245 5.39029 51.6974 3.6814 72.5 -26.3475 49.2088 -26.1109 -43.5217 TIMING: 3343600 CPU: 10066.8, 0.00299295/step Wall: 10066.8, 0.00299295/step, 1.37709 hours remaining, 210.574219 MB of memory in use. ENERGY: 3343600 734.7214 2119.0758 1947.8998 131.3248 -206363.5535 17998.4621 0.0000 0.0000 34028.7013 -149403.3682 297.1811 -183432.0695 -149303.9750 298.5231 -34.0128 2.4437 557825.1551 7.0894 7.2086 PRESSURE: 3343800 -183.012 -73.7427 -118.215 -73.7425 -26.5498 15.0133 -118.214 15.0136 210.121 GPRESSURE: 3343800 -119.551 -160.121 -90.7891 10.2844 -23.8861 44.4741 -60.8045 -16.7909 233.896 PRESSAVG: 3343800 -79.341 9.31546 -23.5451 9.31561 -32.6871 -13.2292 -23.545 -13.2291 100.762 GPRESSAVG: 3343800 -78.0343 6.6319 -23.7355 11.0355 -32.8909 -11.7073 -21.8731 -13.5691 99.5427 TIMING: 3343800 CPU: 10067.4, 0.00299044/step Wall: 10067.4, 0.00299044/step, 1.37577 hours remaining, 210.574219 MB of memory in use. ENERGY: 3343800 772.8854 2097.0864 1920.8965 107.5669 -206359.2415 17878.9109 0.0000 0.0000 34282.2084 -149299.6870 299.3951 -183581.8954 -149205.1845 298.7483 0.1863 30.1530 557044.8062 -3.7555 -3.7942 PRESSURE: 3344000 299.701 -200.748 -73.5736 -200.747 -47.0278 100.234 -73.5742 100.233 -111.755 GPRESSURE: 3344000 268.251 -176.442 -124.742 -255.328 16.6208 73.2978 -21.8121 -6.40653 -47.023 PRESSAVG: 3344000 25.9629 -37.414 39.7666 -37.4139 -29.3859 -59.9266 39.7667 -59.9266 48.5522 GPRESSAVG: 3344000 25.549 -36.1333 40.6903 -38.0449 -29.833 -60.2277 37.817 -60.5054 49.7061 TIMING: 3344000 CPU: 10067.9, 0.00296899/step Wall: 10067.9, 0.00296899/step, 1.36573 hours remaining, 210.574219 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: 3344000 687.4187 2125.8664 1963.2276 115.0112 -206578.7877 17984.9743 0.0000 0.0000 34295.2922 -149406.9972 299.5093 -183702.2894 -149309.6109 299.5129 46.9729 79.2828 557790.5892 15.0431 15.1407 PRESSURE: 3344200 -394.224 -9.38468 -138.58 -9.3859 41.7267 -118.509 -138.582 -118.508 -119.691 GPRESSURE: 3344200 -399.3 -2.07998 -96.8298 48.6421 24.9923 -75.436 -110.955 -107.372 -16.0215 PRESSAVG: 3344200 -10.4726 30.6228 -36.3754 30.6228 33.6004 -21.6634 -36.3754 -21.6634 -26.6502 GPRESSAVG: 3344200 -11.2464 31.8083 -37.068 29.8277 33.3109 -23.7644 -34.5889 -20.8651 -26.1324 TIMING: 3344200 CPU: 10068.5, 0.002977/step Wall: 10068.5, 0.002977/step, 1.36925 hours remaining, 210.574219 MB of memory in use. ENERGY: 3344200 766.7324 2172.4618 1952.8492 113.3459 -206183.2533 17647.7881 0.0000 0.0000 34198.9555 -149331.1204 298.6680 -183530.0760 -149236.1781 299.4724 -157.3963 -130.1097 557241.4136 -1.1741 -1.3560 LDB: ============= START OF LOAD BALANCING ============== 10072.1 LDB: ============== END OF LOAD BALANCING =============== 10072.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10072.1 LDB: ============= START OF LOAD BALANCING ============== 10072.4 LDB: Largest compute 4802 load 0.030455 is 25.8% of average load 0.118093 LDB: Average compute 0.001745 is 1.5% of average load 0.118093 LDB: TIME 10072.4 LOAD: AVG 0.118093 MAX 0.205376 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.039 MB LDB: TIME 10072.4 LOAD: AVG 0.118093 MAX 0.205376 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.098 MB LDB: TIME 10072.4 LOAD: AVG 0.118093 MAX 0.205376 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.098 MB LDB: ============== END OF LOAD BALANCING =============== 10072.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10072.4 PRESSURE: 3344400 -129.144 47.0488 154.333 47.0495 -60.6166 -295.706 154.335 -295.706 -42.8511 GPRESSURE: 3344400 -159.024 -37.2491 122.985 115.259 18.4213 -251.188 273.761 -313.35 13.4653 PRESSAVG: 3344400 11.4382 10.248 19.4337 10.248 10.6416 -63.2901 19.4337 -63.2902 -25.2084 GPRESSAVG: 3344400 12.4065 10.6296 17.7322 10.363 11.4042 -62.4119 20.7905 -61.3698 -26.8822 TIMING: 3344400 CPU: 10069.1, 0.00303721/step Wall: 10069.1, 0.00303721/step, 1.39678 hours remaining, 209.769531 MB of memory in use. ENERGY: 3344400 749.9451 2117.8001 1953.9559 126.6105 -205861.6004 17435.3413 0.0000 0.0000 34277.0787 -149200.8687 299.3503 -183477.9474 -149101.3593 299.0837 -77.5373 -42.3791 556804.7171 -1.0429 -1.0238 PRESSURE: 3344600 -113.76 -131.397 -18.5408 -131.4 7.77455 -116.004 -18.5406 -116.003 19.8417 GPRESSURE: 3344600 -79.3286 -116.76 21.538 -159.457 76.6364 -144.805 22.4887 -150.674 -1.39029 PRESSAVG: 3344600 -0.79414 -19.6194 3.7406 -19.6195 -57.6805 -70.1739 3.74054 -70.174 45.5279 GPRESSAVG: 3344600 -1.80304 -19.956 4.61967 -22.2718 -57.6207 -70.3037 1.11759 -72.8582 46.4739 TIMING: 3344600 CPU: 10069.7, 0.00296079/step Wall: 10069.7, 0.00296079/step, 1.36147 hours remaining, 209.972656 MB of memory in use. ENERGY: 3344600 766.8090 2078.6795 1947.1724 105.6587 -206335.8253 17761.4960 0.0000 0.0000 34296.1654 -149379.8443 299.5169 -183676.0098 -149282.1639 299.2377 -28.7147 -1.3608 556297.0263 -4.3156 -4.3166 PRESSURE: 3344800 -104.247 81.6078 30.6336 81.6072 -175.018 5.90794 30.6343 5.90895 -110.54 GPRESSURE: 3344800 -54.5429 78.3304 57.4046 103.098 -134.266 -7.97534 19.918 -2.2694 -107.883 PRESSAVG: 3344800 22.2923 -31.3136 -10.6087 -31.3137 -1.18073 -2.47462 -10.6087 -2.47455 -6.63092 GPRESSAVG: 3344800 21.806 -31.5112 -10.1747 -29.9247 -1.01577 -0.0684804 -9.15645 -4.42674 -6.27753 TIMING: 3344800 CPU: 10070.3, 0.00296939/step Wall: 10070.3, 0.00296939/step, 1.36526 hours remaining, 210.097656 MB of memory in use. ENERGY: 3344800 743.6264 2058.0228 1936.2209 115.5219 -205856.0299 17616.7190 0.0000 0.0000 34185.8999 -149200.0190 298.5540 -183385.9189 -149098.5732 299.1487 -129.9350 -98.8973 558336.8401 4.8269 4.8376 PRESSURE: 3345000 50.1466 68.878 -5.12324 68.8788 -269.264 142.415 -5.12193 142.415 -53.0669 GPRESSURE: 3345000 47.5601 59.0095 18.1601 71.3156 -194.598 228.222 -18.7039 6.62646 -29.9086 PRESSAVG: 3345000 32.8323 19.3267 16.2069 19.3266 -27.2136 24.0498 16.2069 24.0498 6.78109 GPRESSAVG: 3345000 32.5879 19.0539 16.5483 20.2863 -26.7033 21.58 14.6321 25.9798 6.14296 TIMING: 3345000 CPU: 10070.9, 0.00300098/step Wall: 10070.9, 0.00300098/step, 1.37962 hours remaining, 210.300781 MB of memory in use. ENERGY: 3345000 754.1280 2103.7800 1918.4584 102.0428 -205792.6885 17761.9897 0.0000 0.0000 33955.6338 -149196.6558 296.5430 -183152.2896 -149109.4806 299.2263 -90.7280 -58.9822 558226.0216 4.1333 4.0092 PRESSURE: 3345200 -124.312 280.191 -62.2981 280.19 -59.1068 102.866 -62.2975 102.868 -215.083 GPRESSURE: 3345200 -57.7955 268.778 -107.984 268.219 -79.0299 179.669 -24.9897 49.0235 -170.974 PRESSAVG: 3345200 37.5328 19.2405 -46.012 19.2406 -32.9013 -52.8457 -46.012 -52.8458 10.9042 GPRESSAVG: 3345200 38.2144 18.8767 -45.2072 17.0613 -33.8423 -50.9521 -44.2411 -53.7437 10.4563 TIMING: 3345200 CPU: 10071.5, 0.00297837/step Wall: 10071.5, 0.00297837/step, 1.36906 hours remaining, 210.300781 MB of memory in use. ENERGY: 3345200 755.6418 2060.4458 1907.5206 116.0295 -206035.5340 17691.0925 0.0000 0.0000 34431.0956 -149073.7083 300.6953 -183504.8039 -148977.5850 299.2212 -132.8338 -102.5999 558969.4883 5.1786 4.9428 PRESSURE: 3345400 -129.412 112.115 39.7838 112.116 21.6395 6.11958 39.7838 6.1185 -349.798 GPRESSURE: 3345400 -93.6123 38.3685 134.825 182.671 59.9536 -87.964 -4.22996 103.026 -323.012 PRESSAVG: 3345400 -4.376 23.2015 -21.0492 23.2014 76.857 -16.2996 -21.0492 -16.2996 -45.6928 GPRESSAVG: 3345400 -4.74609 25.3537 -22.3993 25.745 76.3623 -16.6868 -22.1406 -15.7096 -44.9443 TIMING: 3345400 CPU: 10072.1, 0.00298838/step Wall: 10072.1, 0.00298838/step, 1.37349 hours remaining, 210.300781 MB of memory in use. ENERGY: 3345400 711.3214 1978.6510 1931.8202 134.1980 -205683.6346 17594.2802 0.0000 0.0000 34330.9647 -149002.3991 299.8209 -183333.3639 -148902.1052 299.8764 -152.5235 -118.8903 558226.0847 8.9294 8.8906 PRESSURE: 3345600 62.0408 13.8126 -19.5405 13.8131 -73.8847 -73.4856 -19.5404 -73.4862 -132.204 GPRESSURE: 3345600 42.7835 24.4043 -68.4979 12.2835 -38.0442 -46.7282 -8.00778 -99.888 -50.4006 PRESSAVG: 3345600 -75.5821 -27.717 20.8293 -27.7171 45.6708 -24.3576 20.8293 -24.3577 50.2666 GPRESSAVG: 3345600 -76.9594 -28.7765 20.5213 -27.3418 47.7311 -24.4291 22.4324 -23.6756 49.9026 TIMING: 3345600 CPU: 10072.7, 0.00298759/step Wall: 10072.7, 0.00298759/step, 1.37297 hours remaining, 210.300781 MB of memory in use. ENERGY: 3345600 737.5121 2053.8118 1924.2653 118.6185 -205802.0522 17630.7776 0.0000 0.0000 34549.7684 -148787.2985 301.7317 -183337.0669 -148687.4347 300.5526 -48.0161 -15.2204 557356.4287 6.7851 6.8914 PRESSURE: 3345800 -188.836 -76.4564 -18.7259 -76.4565 -230.19 -146.541 -18.7269 -146.541 8.47395 GPRESSURE: 3345800 -118.162 -131.215 6.09086 -110.237 -220.669 -192.373 -8.40055 -111.386 27.4381 PRESSAVG: 3345800 -110.776 14.7358 50.3396 14.7358 60.5226 5.03434 50.3395 5.03432 52.9902 GPRESSAVG: 3345800 -108.276 14.8685 50.964 13.7582 59.1941 4.2274 49.3731 6.07235 51.9978 TIMING: 3345800 CPU: 10073.3, 0.00298177/step Wall: 10073.3, 0.00298177/step, 1.37012 hours remaining, 210.300781 MB of memory in use. ENERGY: 3345800 714.5448 2125.6793 1942.4340 109.2700 -205395.6629 17482.8892 0.0000 0.0000 34244.1599 -148776.6856 299.0628 -183020.8456 -148677.7380 300.8418 -136.8507 -103.7975 560492.6968 0.9122 0.9719 PRESSURE: 3346000 183.161 35.2889 26.5365 35.2886 23.588 -53.7708 26.536 -53.7722 -163.859 GPRESSURE: 3346000 165.488 51.4299 6.43366 51.5189 27.41 -21.7541 163.119 -79.9502 -62.4365 PRESSAVG: 3346000 37.5725 18.347 11.4226 18.347 -9.4704 -22.0899 11.4225 -22.0898 -9.06992 GPRESSAVG: 3346000 35.4439 16.592 9.78473 19.9527 -7.68024 -20.1566 11.6178 -24.8933 -8.68636 TIMING: 3346000 CPU: 10073.9, 0.00301065/step Wall: 10073.9, 0.00301065/step, 1.38322 hours remaining, 210.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3346000 730.4203 2095.1850 1915.7340 117.1012 -206094.4460 17953.7786 0.0000 0.0000 34430.5067 -148851.7201 300.6902 -183282.2269 -148753.2738 300.3321 14.2967 43.4871 559020.1483 6.3440 6.3591 PRESSURE: 3346200 -96.9807 20.8696 -93.2343 20.8698 -173.056 -30.7554 -93.2324 -30.755 159.939 GPRESSURE: 3346200 -58.3434 21.0492 -65.3183 52.2256 -140.315 -25.4738 -126.824 -34.0189 184.482 PRESSAVG: 3346200 8.51031 32.2204 38.2354 32.2205 -2.64124 -65.3103 38.2354 -65.3102 -3.84712 GPRESSAVG: 3346200 8.4963 32.0023 39.7371 31.4263 -4.27228 -66.6257 38.6241 -64.3712 -2.70573 TIMING: 3346200 CPU: 10074.5, 0.0029857/step Wall: 10074.5, 0.0029857/step, 1.3716 hours remaining, 210.300781 MB of memory in use. ENERGY: 3346200 727.4611 2125.2043 1932.0392 105.1399 -206129.1943 17854.9807 0.0000 0.0000 34467.2716 -148917.0975 301.0113 -183384.3691 -148828.1428 299.9948 -36.6992 -4.7255 559099.4044 0.6740 0.5061 PRESSURE: 3346400 -36.2299 51.8006 -20.7853 51.8016 -96.3133 19.03 -20.7836 19.031 83.6426 GPRESSURE: 3346400 -11.1881 -10.5343 -75.1427 -20.6233 -60.1065 -98.563 -94.409 75.961 126.498 PRESSAVG: 3346400 1.01603 16.8621 -14.7074 16.8622 14.8119 -1.12741 -14.7074 -1.12753 18.2492 GPRESSAVG: 3346400 1.79368 16.997 -14.5175 16.7809 15.9752 -1.30911 -13.9125 0.169556 16.9456 TIMING: 3346400 CPU: 10075.1, 0.00297215/step Wall: 10075.1, 0.00297215/step, 1.36521 hours remaining, 210.300781 MB of memory in use. ENERGY: 3346400 740.7890 2118.0908 1969.0651 121.7600 -206049.4992 17789.8541 0.0000 0.0000 34209.8273 -149100.1129 298.7629 -183309.9402 -149000.0719 300.0444 -16.3002 18.4012 558550.5350 11.3591 11.5715 PRESSURE: 3346600 -125.2 145.784 104.398 145.783 127.796 53.6811 104.398 53.6818 -153.398 GPRESSURE: 3346600 -99.8548 87.4246 87.2958 156.048 109.567 86.7959 101.286 -11.5517 -81.3275 PRESSAVG: 3346600 12.5364 36.0618 -10.0137 36.0617 -5.68691 -36.4451 -10.0137 -36.4452 19.4285 GPRESSAVG: 3346600 13.0215 36.1875 -10.3115 37.4072 -5.88574 -38.5445 -10.2992 -35.3343 19.3814 TIMING: 3346600 CPU: 10075.7, 0.00296413/step Wall: 10075.7, 0.00296413/step, 1.36136 hours remaining, 210.300781 MB of memory in use. ENERGY: 3346600 722.5037 2116.5276 1931.1088 112.0616 -206063.6080 17606.2235 0.0000 0.0000 34329.3310 -149245.8516 299.8066 -183575.1827 -149150.0980 299.4732 -50.2674 -23.8717 558275.8231 8.7593 8.8390 PRESSURE: 3346800 -47.6627 -43.5353 50.2313 -43.5344 -138.471 154.168 50.2321 154.169 28.2633 GPRESSURE: 3346800 37.1765 -14.8694 33.8079 15.1926 -111.727 190.071 0.317924 114.06 7.15521 PRESSAVG: 3346800 -25.5141 -8.16224 20.7236 -8.16216 7.54113 1.86119 20.7237 1.86112 -0.877834 GPRESSAVG: 3346800 -26.0517 -6.28754 20.4715 -12.0514 8.12706 3.62242 20.243 -0.608636 -0.956515 TIMING: 3346800 CPU: 10076.3, 0.0029632/step Wall: 10076.3, 0.0029632/step, 1.36077 hours remaining, 210.300781 MB of memory in use. ENERGY: 3346800 750.3990 2098.8947 1910.4529 116.9368 -206389.2029 17926.7835 0.0000 0.0000 34385.4418 -149200.2943 300.2966 -183585.7360 -149103.0806 299.1582 -52.6233 -22.4651 558235.1729 -6.2836 -6.2937 PRESSURE: 3347000 -54.4876 -2.05355 -221.278 -2.05287 -105.806 -177.585 -221.279 -177.585 123.227 GPRESSURE: 3347000 -5.08625 -13.9592 -210.308 -32.1099 -85.1688 -206.379 -283.137 -91.1856 154.722 PRESSAVG: 3347000 8.12275 -24.46 37.6883 -24.4601 -29.2581 -4.32227 37.6883 -4.32216 -8.42687 GPRESSAVG: 3347000 7.31787 -25.7658 38.5271 -23.1314 -29.4307 -4.53843 35.4503 -1.13414 -7.46659 TIMING: 3347000 CPU: 10076.9, 0.00296854/step Wall: 10076.9, 0.00296854/step, 1.36305 hours remaining, 210.300781 MB of memory in use. ENERGY: 3347000 749.9425 2067.8042 1913.9488 110.7810 -206061.3151 17821.9509 0.0000 0.0000 34251.2586 -149145.6291 299.1248 -183396.8877 -149055.0206 300.1210 -12.3554 21.4890 558915.5409 -9.8541 -9.8598 PRESSURE: 3347200 -82.8534 -210.074 -69.7081 -210.075 -121.456 -103.693 -69.7079 -103.694 29.2713 GPRESSURE: 3347200 -20.8481 -245.698 -57.3178 -211.41 -63.3478 -158.107 -128.695 -157.969 12.4923 PRESSAVG: 3347200 33.2729 -17.2578 -44.9987 -17.2578 -0.161487 24.7243 -44.9987 24.7244 17.2057 GPRESSAVG: 3347200 32.1767 -17.1723 -45.4054 -16.8093 0.402549 26.3025 -42.4412 21.6456 17.3791 TIMING: 3347200 CPU: 10077.5, 0.00296636/step Wall: 10077.5, 0.00296636/step, 1.36189 hours remaining, 210.300781 MB of memory in use. ENERGY: 3347200 722.7648 2043.5933 1936.9213 104.0494 -206203.7903 17735.0487 0.0000 0.0000 34383.2362 -149278.1766 300.2774 -183661.4128 -149179.4397 299.4453 -58.3461 -23.9012 556554.3215 16.7724 16.6528 PRESSURE: 3347400 -78.7511 39.2166 -84.5331 39.2164 -235.42 -1.06969 -84.5336 -1.07179 -211.397 GPRESSURE: 3347400 -69.149 99.879 36.5578 -58.9932 -208.822 22.087 -88.2419 43.4993 -151.49 PRESSAVG: 3347400 14.5579 6.64585 31.4978 6.64583 1.02467 2.59891 31.4977 2.59909 20.5803 GPRESSAVG: 3347400 15.9783 7.75869 31.0559 7.38785 0.161587 1.38411 31.3801 3.96123 20.2444 TIMING: 3347400 CPU: 10078.1, 0.00296247/step Wall: 10078.1, 0.00296247/step, 1.35994 hours remaining, 210.300781 MB of memory in use. ENERGY: 3347400 794.1049 2116.6110 1928.6681 122.5683 -205987.0107 17580.4688 0.0000 0.0000 34097.0498 -149347.5397 297.7780 -183444.5895 -149254.5107 298.8658 -175.1891 -143.1537 556799.8091 12.0543 12.1281 PRESSURE: 3347600 58.8482 -19.0897 -70.0349 -19.0907 -160.162 111.769 -70.0349 111.77 30.9538 GPRESSURE: 3347600 109.448 -18.7129 -48.7904 50.9859 -88.5142 163.608 -81.6701 24.0849 -1.39221 PRESSAVG: 3347600 -0.0929245 -53.1825 -26.2529 -53.1823 38.1744 -60.2864 -26.2528 -60.2864 9.77865 GPRESSAVG: 3347600 0.569617 -54.1423 -24.0851 -54.1177 37.4478 -61.9305 -27.8352 -60.4508 9.62211 TIMING: 3347600 CPU: 10078.7, 0.00297847/step Wall: 10078.7, 0.00297847/step, 1.36712 hours remaining, 210.300781 MB of memory in use. ENERGY: 3347600 713.6220 2076.7509 1935.0457 106.6159 -206256.8110 17602.1078 0.0000 0.0000 34396.4646 -149426.2039 300.3929 -183822.6686 -149320.5709 299.0371 -23.4533 6.5140 555281.6720 15.9534 15.8799 PRESSURE: 3347800 -89.7686 152.192 -128.639 152.193 316.439 -42.2122 -128.64 -42.212 127.164 GPRESSURE: 3347800 -8.62914 135.055 -128.005 185.151 320.149 -27.456 -91.4734 -54.2985 156.579 PRESSAVG: 3347800 -13.6547 3.77898 -105.231 3.77887 -27.4058 17.7829 -105.231 17.783 17.1836 GPRESSAVG: 3347800 -12.7404 3.61398 -105.142 6.43566 -27.7331 21.3005 -103.847 16.1636 16.1284 TIMING: 3347800 CPU: 10079.3, 0.00296861/step Wall: 10079.3, 0.00296861/step, 1.36243 hours remaining, 210.300781 MB of memory in use. ENERGY: 3347800 719.4759 2040.1167 1963.0634 125.9104 -206609.0554 18090.5420 0.0000 0.0000 34064.4282 -149605.5188 297.4931 -183669.9470 -149509.1834 298.3725 117.9451 156.0330 556736.6714 -7.9590 -8.1150 PRESSURE: 3348000 -191.331 40.4521 0.851056 40.4523 -207.244 -22.8582 0.850239 -22.8571 -102.73 GPRESSURE: 3348000 -164.332 38.4251 16.7195 73.2626 -158.034 -49.4992 20.2335 -12.6231 -73.8211 PRESSAVG: 3348000 8.41145 20.4605 -0.85797 20.4606 -6.01789 -17.3529 -0.857918 -17.3527 5.46703 GPRESSAVG: 3348000 6.538 23.7982 -2.95237 18.6436 -5.54171 -18.5631 -2.58744 -16.8224 6.96586 TIMING: 3348000 CPU: 10079.9, 0.00300611/step Wall: 10079.9, 0.00300611/step, 1.37947 hours remaining, 210.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3348000 764.9736 2121.1625 1939.0069 111.2480 -206602.8459 17727.6341 0.0000 0.0000 34404.7809 -149534.0399 300.4655 -183938.8208 -149437.7091 298.4100 -167.1015 -132.0622 557792.6250 2.6202 2.6541 PRESSURE: 3348200 39.868 -94.2784 204.957 -94.2786 -148.355 55.3933 204.957 55.3914 -132.301 GPRESSURE: 3348200 42.3659 -39.7123 286.727 -75.9503 -58.1174 138.874 163.521 -7.62854 -120.101 PRESSAVG: 3348200 6.42876 3.90586 37.6195 3.90594 34.9648 -6.224 37.6196 -6.2242 -42.3489 GPRESSAVG: 3348200 7.10018 2.15107 37.2132 3.23401 34.6416 -4.65134 40.9717 -6.88756 -42.0929 TIMING: 3348200 CPU: 10080.5, 0.00300051/step Wall: 10080.5, 0.00300051/step, 1.37673 hours remaining, 210.300781 MB of memory in use. ENERGY: 3348200 702.3179 2094.0643 1946.2616 112.1035 -206186.2725 17669.5026 0.0000 0.0000 34239.6684 -149422.3542 299.0235 -183662.0226 -149323.1328 299.2065 -80.2625 -45.2842 557015.1948 -0.3185 -0.1171 LDB: ============= START OF LOAD BALANCING ============== 10084 LDB: ============== END OF LOAD BALANCING =============== 10084 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10084 LDB: ============= START OF LOAD BALANCING ============== 10084.3 LDB: Largest compute 4802 load 0.028133 is 23.8% of average load 0.118148 LDB: Average compute 0.001743 is 1.5% of average load 0.118148 LDB: TIME 10084.3 LOAD: AVG 0.118148 MAX 0.20739 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.711 MB LDB: TIME 10084.3 LOAD: AVG 0.118148 MAX 0.20739 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.77 MB LDB: TIME 10084.3 LOAD: AVG 0.118148 MAX 0.20739 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.77 MB LDB: ============== END OF LOAD BALANCING =============== 10084.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10084.3 PRESSURE: 3348400 190.126 -43.4089 -80.714 -43.4082 73.547 94.7551 -80.7138 94.7559 38.2222 GPRESSURE: 3348400 215.349 62.1072 -145.823 -108.676 143.715 114.336 -37.2926 53.2907 38.4392 PRESSAVG: 3348400 -3.71295 55.0745 -25.0127 55.0745 -8.17397 33.3706 -25.0127 33.3705 -8.76802 GPRESSAVG: 3348400 -4.15034 53.0455 -23.8179 57.0602 -8.6124 31.9082 -29.2947 33.7895 -7.88113 TIMING: 3348400 CPU: 10081.1, 0.00301628/step Wall: 10081.1, 0.00301628/step, 1.3838 hours remaining, 209.199219 MB of memory in use. ENERGY: 3348400 713.4312 2142.1732 1946.0710 108.4904 -206450.9657 18044.8846 0.0000 0.0000 34112.4535 -149383.4616 297.9125 -183495.9151 -149282.8552 298.3880 100.6317 132.5012 559113.5231 -6.8850 -6.8813 PRESSURE: 3348600 -47.8302 102.078 -86.9245 102.078 -91.7029 43.4238 -86.9252 43.4231 50.1237 GPRESSURE: 3348600 -15.9476 90.208 -112.944 70.9169 -102.116 24.3579 -45.3027 -45.1895 136.912 PRESSAVG: 3348600 26.0993 32.9077 -1.90001 32.9075 -21.7048 9.92814 -1.89997 9.92812 -16.725 GPRESSAVG: 3348600 27.1498 35.0615 -1.75184 31.3436 -21.2412 10.9752 0.622234 10.4578 -17.6999 TIMING: 3348600 CPU: 10081.7, 0.00299604/step Wall: 10081.7, 0.00299604/step, 1.37435 hours remaining, 209.457031 MB of memory in use. ENERGY: 3348600 755.4369 2110.7995 1933.9605 101.4392 -206381.0073 18001.5970 0.0000 0.0000 34117.8051 -149359.9691 297.9593 -183477.7742 -149269.6038 299.5527 -29.8031 6.2825 558668.9764 -4.1102 -3.9304 PRESSURE: 3348800 -83.5859 -159.769 36.1738 -159.769 50.5503 124.323 36.1738 124.325 -111.65 GPRESSURE: 3348800 -48.0769 -180.336 59.4535 -174.709 103.481 -4.21497 6.87815 151.629 -98.2747 PRESSAVG: 3348800 -21.6837 -23.4275 -67.1007 -23.4275 91.2504 22.5061 -67.1006 22.5062 -8.98437 GPRESSAVG: 3348800 -22.7737 -23.635 -67.1216 -24.7436 93.0138 22.7889 -66.6046 22.7011 -9.20211 TIMING: 3348800 CPU: 10082.3, 0.00302634/step Wall: 10082.3, 0.00302634/step, 1.38808 hours remaining, 209.457031 MB of memory in use. ENERGY: 3348800 726.3887 2101.8878 1957.2046 108.6700 -206070.1974 17794.4083 0.0000 0.0000 34048.4769 -149333.1610 297.3538 -183381.6380 -149232.6010 298.2219 -48.2287 -14.2904 558512.1237 20.1941 20.3460 PRESSURE: 3349000 -151.702 -19.8783 -59.3937 -19.8794 51.1845 -202.352 -59.3941 -202.352 69.3369 GPRESSURE: 3349000 -91.6736 -24.0925 -81.1257 -24.5919 66.7523 -179.613 -97.3625 -244.996 87.0058 PRESSAVG: 3349000 -73.4487 -28.3051 34.4186 -28.305 -2.60723 3.96964 34.4186 3.96968 48.183 GPRESSAVG: 3349000 -73.4818 -28.9682 33.4255 -26.9032 -3.47671 3.36469 34.9568 3.14357 48.6953 TIMING: 3349000 CPU: 10082.9, 0.00299615/step Wall: 10082.9, 0.00299615/step, 1.37407 hours remaining, 209.718750 MB of memory in use. ENERGY: 3349000 722.8641 2075.5246 1939.1779 117.0069 -206371.5557 17901.3262 0.0000 0.0000 34136.8171 -149478.8389 298.1253 -183615.6560 -149368.7190 298.1456 -10.3934 20.6948 559032.3752 -9.2910 -9.4210 PRESSURE: 3349200 -184.876 48.1768 -19.4532 48.1764 -193.569 -31.748 -19.4525 -31.7474 -62.8902 GPRESSURE: 3349200 -135.249 67.8248 7.0469 -13.1928 -171.138 44.0128 -78.7411 -13.8912 -48.1827 PRESSAVG: 3349200 -23.8327 6.94815 -50.689 6.94814 57.7 -4.05913 -50.6891 -4.05914 -22.5251 GPRESSAVG: 3349200 -23.2996 8.80861 -50.9425 6.58883 57.9067 -1.28388 -49.5511 -5.97804 -22.8813 TIMING: 3349200 CPU: 10083.5, 0.00298168/step Wall: 10083.5, 0.00298168/step, 1.36727 hours remaining, 209.718750 MB of memory in use. ENERGY: 3349200 735.2341 2072.1579 1938.9128 121.6093 -206063.8665 17778.9789 0.0000 0.0000 33976.5492 -149440.4244 296.7257 -183416.9736 -149345.9925 298.1414 -147.1119 -118.1897 559054.6996 3.7807 3.9086 PRESSURE: 3349400 -215.879 104.737 -147.684 104.736 -343.42 86.035 -147.683 86.0353 -9.69302 GPRESSURE: 3349400 -204.282 170.288 -96.086 131.001 -332.62 109.638 -205.048 149.631 68.9803 PRESSAVG: 3349400 -7.50194 24.5977 -6.19018 24.5977 -69.8688 22.8632 -6.19015 22.8631 64.3698 GPRESSAVG: 3349400 -8.87964 21.7875 -5.20867 26.6722 -70.5819 20.2524 -7.01599 25.2903 65.9137 TIMING: 3349400 CPU: 10084.1, 0.00297743/step Wall: 10084.1, 0.00297743/step, 1.36515 hours remaining, 209.718750 MB of memory in use. ENERGY: 3349400 719.0859 2076.1411 1946.3616 122.0455 -205997.4718 17459.5356 0.0000 0.0000 34283.4293 -149390.8728 299.4057 -183674.3021 -149292.6069 298.8731 -189.6641 -155.9739 557712.7078 -4.3337 -4.5160 PRESSURE: 3349600 -31.0833 -94.4346 -11.7899 -94.4344 -22.7581 152.404 -11.7909 152.404 -49.1462 GPRESSURE: 3349600 -12.5939 -99.0457 37.6083 -91.7892 -16.0361 130.262 -37.6572 213.754 12.5562 PRESSAVG: 3349600 -46.5274 17.8779 36.2404 17.8779 -35.1795 32.3732 36.2405 32.3731 49.8414 GPRESSAVG: 3349600 -46.3483 19.1594 36.7258 15.5788 -33.9825 34.9195 35.1559 31.5756 48.814 TIMING: 3349600 CPU: 10084.7, 0.00299125/step Wall: 10084.7, 0.00299125/step, 1.37132 hours remaining, 209.718750 MB of memory in use. ENERGY: 3349600 735.1220 2072.6184 1915.8073 119.6843 -206173.9198 17678.4908 0.0000 0.0000 34222.7296 -149429.4674 298.8756 -183652.1970 -149328.3039 299.3788 -34.3292 -5.3579 557435.7918 -10.6218 -10.5056 PRESSURE: 3349800 -0.144918 -61.8731 83.5976 -61.8734 -20.3589 -31.3902 83.5983 -31.3911 -157.781 GPRESSURE: 3349800 47.5314 -106.07 139.579 -7.93659 16.3209 -62.0513 -31.233 -87.9805 -148.729 PRESSAVG: 3349800 37.6784 38.8771 11.7829 38.8771 -98.471 18.0572 11.7829 18.0572 11.5178 GPRESSAVG: 3349800 38.7011 37.3562 11.177 41.879 -99.6404 16.8854 13.037 17.6472 11.6588 TIMING: 3349800 CPU: 10085.3, 0.0030044/step Wall: 10085.3, 0.0030044/step, 1.37718 hours remaining, 209.718750 MB of memory in use. ENERGY: 3349800 751.4169 2143.9653 1900.4457 113.2174 -206354.7512 17931.7395 0.0000 0.0000 34152.5826 -149361.3838 298.2630 -183513.9664 -149263.2874 298.6004 -59.4283 -28.2922 558592.6431 -16.4249 -16.4268 PRESSURE: 3350000 -253.118 -10.5468 -144.367 -10.5482 -275.313 -12.9271 -144.367 -12.928 -358.521 GPRESSURE: 3350000 -208.083 -42.9392 -128.62 38.0439 -245.244 -19.1268 -125.639 -38.2706 -337.649 PRESSAVG: 3350000 -10.0447 11.7509 -45.341 11.7509 58.3873 -11.2356 -45.341 -11.2356 -3.72653 GPRESSAVG: 3350000 -9.91671 12.0908 -44.5651 9.39272 59.2237 -10.9901 -46.2418 -11.3227 -4.64392 TIMING: 3350000 CPU: 10085.9, 0.00298972/step Wall: 10085.9, 0.00298972/step, 1.37029 hours remaining, 209.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3350000 791.9104 2054.6104 1915.3746 118.2696 -206033.1246 17567.0489 0.0000 0.0000 34276.0250 -149309.8857 299.3411 -183585.9107 -149212.1275 298.9459 -295.6506 -263.6586 558971.1820 14.8720 14.8877 PRESSURE: 3350200 77.8743 8.56882 -123.39 8.57043 55.1201 -159.068 -123.39 -159.068 -42.3624 GPRESSURE: 3350200 119.121 -60.2029 -135.267 41.725 41.3945 -183.272 -126.511 -126.71 21.3604 PRESSAVG: 3350200 -22.4084 -10.3548 -25.1897 -10.3548 57.6291 -65.5194 -25.1896 -65.5193 -43.844 GPRESSAVG: 3350200 -20.7162 -9.69618 -24.4674 -10.9923 56.0592 -65.9299 -25.3716 -66.107 -43.7894 TIMING: 3350200 CPU: 10086.5, 0.0029737/step Wall: 10086.5, 0.0029737/step, 1.36278 hours remaining, 209.718750 MB of memory in use. ENERGY: 3350200 705.1382 2047.0708 1946.8583 112.1935 -206245.2565 17837.2113 0.0000 0.0000 34424.7881 -149171.9962 300.6402 -183596.7843 -149069.5795 298.7555 30.2107 60.6255 558723.4996 -2.8744 -2.8155 PRESSURE: 3350400 -131.234 -24.2873 -1.76467 -24.2873 -278.951 -164.86 -1.76412 -164.859 -50.7212 GPRESSURE: 3350400 -94.7127 1.49931 -49.2957 -70.5652 -281.304 -172.728 6.79922 -166.393 8.17471 PRESSAVG: 3350400 2.64932 12.2625 -62.9059 12.2625 -74.4965 -6.16413 -62.906 -6.16419 6.24796 GPRESSAVG: 3350400 1.59558 11.4133 -63.2284 12.8322 -74.6251 -6.47004 -63.7923 -4.62793 7.39668 TIMING: 3350400 CPU: 10087.1, 0.0029491/step Wall: 10087.1, 0.0029491/step, 1.35134 hours remaining, 209.718750 MB of memory in use. ENERGY: 3350400 734.6241 2134.0653 1930.3823 116.6289 -206254.4626 17729.3780 0.0000 0.0000 34359.0403 -149250.3438 300.0660 -183609.3842 -149162.6086 299.5333 -153.6354 -122.6139 558162.3198 -21.8664 -21.8776 PRESSURE: 3350600 175.517 -148.782 20.3946 -148.78 -128.488 8.42113 20.3945 8.42028 -300.819 GPRESSURE: 3350600 185.219 -207.951 53.9744 -105.997 -117.987 175.193 49.7535 2.57904 -226.074 PRESSAVG: 3350600 -8.47468 -10.9488 0.663227 -10.9487 13.9564 -32.775 0.663139 -32.775 -29.4562 GPRESSAVG: 3350600 -9.5107 -10.8693 0.0764133 -10.1503 14.1066 -32.7654 1.82938 -31.9092 -28.9067 TIMING: 3350600 CPU: 10087.7, 0.00300827/step Wall: 10087.7, 0.00300827/step, 1.37829 hours remaining, 209.718750 MB of memory in use. ENERGY: 3350600 725.8894 2075.4206 1925.9055 106.4446 -206154.1126 17648.2844 0.0000 0.0000 34167.3775 -149504.7906 298.3922 -183672.1681 -149404.1113 298.8548 -84.5969 -52.9473 557807.7871 -7.9915 -8.1036 PRESSURE: 3350800 6.18429 126.98 74.0978 126.98 -155.86 -173.892 74.0985 -173.892 -209.088 GPRESSURE: 3350800 1.16558 147.737 76.6375 173.417 -122.794 -215.248 3.81051 -201.299 -150.367 PRESSAVG: 3350800 9.83675 44.5682 10.8773 44.5682 -8.46035 41.3801 10.8773 41.3801 -25.6271 GPRESSAVG: 3350800 9.84893 45.3355 12.4576 43.5713 -8.22316 42.5565 8.95447 38.683 -25.7275 TIMING: 3350800 CPU: 10088.2, 0.00298111/step Wall: 10088.2, 0.00298111/step, 1.36568 hours remaining, 209.718750 MB of memory in use. ENERGY: 3350800 732.1792 2083.8082 1947.2722 112.6198 -206053.5198 17595.0256 0.0000 0.0000 34104.5392 -149478.0757 297.8434 -183582.6148 -149383.3772 298.3556 -119.5878 -90.6652 558241.5498 -8.0836 -8.0339 PRESSURE: 3351000 101.277 241.766 -61.804 241.766 -98.0222 -217.421 -61.8041 -217.421 -73.6416 GPRESSURE: 3351000 164.942 277.616 36.517 246.426 -107.766 -245.885 -30.7832 -172.905 -20.4429 PRESSAVG: 3351000 -38.4167 81.749 20.0687 81.749 44.7215 -60.3938 20.0687 -60.3938 -26.9688 GPRESSAVG: 3351000 -37.9424 80.4874 17.2156 82.4917 45.0296 -59.1852 21.7694 -59.9505 -27.6097 TIMING: 3351000 CPU: 10088.8, 0.00298456/step Wall: 10088.8, 0.00298456/step, 1.36709 hours remaining, 209.718750 MB of memory in use. ENERGY: 3351000 750.1366 2064.0150 1966.0421 110.6370 -206308.0872 17678.9821 0.0000 0.0000 34248.4252 -149489.8492 299.1000 -183738.2744 -149393.2709 298.4629 -23.4622 12.2441 556331.8173 -6.8880 -6.8408 PRESSURE: 3351200 121.249 44.3655 -37.5375 44.3654 -248.297 45.8934 -37.5375 45.8933 -39.2275 GPRESSURE: 3351200 150.184 -32.9757 119.092 -14.4965 -175.374 39.5355 -106.962 167.754 -45.8839 PRESSAVG: 3351200 0.741708 60.8437 17.4042 60.8436 -15.5579 13.257 17.4043 13.2571 -18.8508 GPRESSAVG: 3351200 1.28482 62.8188 20.8935 58.1232 -15.4661 11.2381 14.4809 14.0446 -19.0193 TIMING: 3351200 CPU: 10089.4, 0.00301091/step Wall: 10089.4, 0.00301091/step, 1.379 hours remaining, 209.730469 MB of memory in use. ENERGY: 3351200 702.6954 2117.3966 1929.1310 107.9166 -206308.5304 17607.2644 0.0000 0.0000 34352.6336 -149491.4927 300.0101 -183844.1264 -149397.5483 299.1242 -55.4253 -23.6915 556768.9115 -11.2223 -11.0669 PRESSURE: 3351400 -288.204 -136.422 118.034 -136.423 -11.2541 53.3938 118.034 53.3924 -280.559 GPRESSURE: 3351400 -236.785 -175.273 62.2317 -45.1634 46.1014 9.07544 101.972 85.3306 -293.245 PRESSAVG: 3351400 -34.2678 6.85074 15.2708 6.85071 6.89329 -11.066 15.2709 -11.066 10.1316 GPRESSAVG: 3351400 -34.9751 4.86412 12.9149 9.83177 7.50718 -10.2322 17.922 -10.0576 10.6356 TIMING: 3351400 CPU: 10090, 0.00298602/step Wall: 10090, 0.00298602/step, 1.36743 hours remaining, 209.730469 MB of memory in use. ENERGY: 3351400 797.7499 2071.3648 1934.0702 121.0039 -206479.1005 17798.0734 0.0000 0.0000 34392.7493 -149364.0891 300.3604 -183756.8383 -149259.2407 299.8451 -193.3391 -161.3095 557397.6411 -5.7476 -5.6108 PRESSURE: 3351600 127.618 40.2404 -192.7 40.2403 -202.462 50.6923 -192.699 50.6924 -93.4619 GPRESSURE: 3351600 137.126 -3.4985 -323.178 72.5291 -122.126 48.933 -155.66 15.702 -86.2667 PRESSAVG: 3351600 54.1837 16.6595 -29.9258 16.6595 49.5775 12.8629 -29.9258 12.863 -36.8676 GPRESSAVG: 3351600 54.9573 16.0265 -31.0357 16.2731 48.2277 12.0939 -29.169 10.9254 -36.1706 TIMING: 3351600 CPU: 10090.6, 0.00298609/step Wall: 10090.6, 0.00298609/step, 1.3673 hours remaining, 209.730469 MB of memory in use. ENERGY: 3351600 788.1274 2033.0533 1939.9448 108.7649 -206156.2905 17806.7601 0.0000 0.0000 34139.2088 -149340.4313 298.1462 -183479.6401 -149244.9396 299.5091 -56.1018 -23.7555 557909.6793 22.2979 22.3381 PRESSURE: 3351800 55.5958 -6.16541 29.8076 -6.1632 -125.074 16.4156 29.8071 16.4154 -92.1136 GPRESSURE: 3351800 49.4569 -105.38 -66.5519 -33.8286 -97.8768 -3.86984 83.4432 -40.5604 -17.3051 PRESSAVG: 3351800 32.2987 15.9493 -24.0715 15.9494 52.2392 10.8485 -24.0715 10.8485 -66.9469 GPRESSAVG: 3351800 31.7921 17.325 -23.8078 12.9151 53.1537 9.89787 -22.6432 12.9908 -67.2623 TIMING: 3351800 CPU: 10091.2, 0.00301431/step Wall: 10091.2, 0.00301431/step, 1.38005 hours remaining, 209.730469 MB of memory in use. ENERGY: 3351800 725.2179 2103.6543 1894.9756 118.8659 -205971.2320 17585.7503 0.0000 0.0000 34232.2672 -149310.5009 298.9589 -183542.7681 -149215.1438 299.4531 -53.8640 -21.9084 556589.5997 5.8637 5.8945 PRESSURE: 3352000 -140.058 42.6986 -20.6427 42.6982 46.8147 265.676 -20.6438 265.677 -68.3297 GPRESSURE: 3352000 -72.6243 50.5891 8.46223 9.47158 85.917 302.876 68.6118 331.81 -76.5474 PRESSAVG: 3352000 30.4807 34.3353 34.8388 34.3353 -4.75122 46.366 34.8388 46.366 -43.254 GPRESSAVG: 3352000 30.7936 32.0587 35.5893 37.424 -5.10151 46.1535 31.8908 46.9903 -42.9495 TIMING: 3352000 CPU: 10091.8, 0.00300651/step Wall: 10091.8, 0.00300651/step, 1.37631 hours remaining, 209.730469 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: 3352000 720.7097 2117.9979 1914.8871 111.1057 -206197.6584 17693.8450 0.0000 0.0000 34395.1555 -149243.9575 300.3814 -183639.1130 -149143.3376 299.6377 -53.8578 -21.0849 558413.3251 -5.8415 -5.7525 PRESSURE: 3352200 357.531 -27.4407 28.3076 -27.4411 390.957 -136.538 28.3084 -136.538 -36.5412 GPRESSURE: 3352200 359.743 -45.9514 13.9277 10.0032 390.446 -55.8442 -7.5693 -161.281 57.8129 PRESSAVG: 3352200 -41.4645 25.4754 -3.3545 25.4755 56.2015 51.624 -3.35449 51.6241 -17.155 GPRESSAVG: 3352200 -41.2643 27.6778 -4.69833 24.6144 56.8289 51.3303 -1.3379 48.9745 -16.936 TIMING: 3352200 CPU: 10092.4, 0.002965/step Wall: 10092.4, 0.002965/step, 1.35715 hours remaining, 209.730469 MB of memory in use. ENERGY: 3352200 744.9111 2119.7105 1908.5842 106.5785 -207011.5398 18377.5520 0.0000 0.0000 34403.6141 -149350.5895 300.4553 -183754.2036 -149254.1359 298.3434 237.3155 269.3342 557569.5924 -0.8060 -0.4571 LDB: ============= START OF LOAD BALANCING ============== 10096 LDB: ============== END OF LOAD BALANCING =============== 10096 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10096 LDB: ============= START OF LOAD BALANCING ============== 10096.3 LDB: Largest compute 4802 load 0.027956 is 23.7% of average load 0.118189 LDB: Average compute 0.001740 is 1.5% of average load 0.118189 LDB: TIME 10096.3 LOAD: AVG 0.118189 MAX 0.206181 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.43 MB LDB: TIME 10096.3 LOAD: AVG 0.118189 MAX 0.206181 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: TIME 10096.3 LOAD: AVG 0.118189 MAX 0.206181 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10096.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10096.3 PRESSURE: 3352400 -43.8129 76.9704 41.4916 76.9706 -117.33 -120.86 41.4911 -120.858 -38.5289 GPRESSURE: 3352400 -6.35416 67.0575 77.0593 105.548 -130.902 -149.766 75.9632 -137.189 30.9311 PRESSAVG: 3352400 81.729 41.1091 4.79537 41.1091 -29.4101 33.4935 4.79524 33.4934 -82.7959 GPRESSAVG: 3352400 82.0788 39.3451 5.77506 40.6229 -29.4911 33.474 4.28474 34.0147 -82.4535 TIMING: 3352400 CPU: 10093, 0.00304785/step Wall: 10093, 0.00304785/step, 1.3949 hours remaining, 209.710938 MB of memory in use. ENERGY: 3352400 735.5753 2093.0412 1918.6991 116.1509 -206129.4044 17623.4711 0.0000 0.0000 34437.2073 -149205.2595 300.7487 -183642.4668 -149106.7598 299.5592 -66.5574 -35.4417 557537.1756 -10.1590 -9.9553 PRESSURE: 3352600 -139.79 -116.803 -33.6683 -116.804 -148.205 230.789 -33.6683 230.79 -7.48308 GPRESSURE: 3352600 -127.218 -154.836 -69.4054 -153.239 -89.5004 164.971 -40.1778 264.65 18.9444 PRESSAVG: 3352600 15.5865 -21.3141 -41.3255 -21.3142 10.113 50.7034 -41.3255 50.7035 -17.96 GPRESSAVG: 3352600 14.635 -21.3342 -42.7624 -18.6422 9.74789 50.2685 -39.8291 51.3185 -16.7674 TIMING: 3352600 CPU: 10093.6, 0.00297222/step Wall: 10093.6, 0.00297222/step, 1.36012 hours remaining, 209.914062 MB of memory in use. ENERGY: 3352600 746.0878 2094.2753 1929.4196 124.0173 -205994.7114 17690.4204 0.0000 0.0000 34381.1192 -149029.3717 300.2589 -183410.4910 -148943.0997 298.9872 -98.4926 -65.9246 558658.3511 2.5798 2.5385 PRESSURE: 3352800 141.725 51.7884 -85.3508 51.788 94.9578 125.65 -85.3508 125.652 149.484 GPRESSURE: 3352800 169.266 -84.7901 -155.89 100.331 99.0267 32.8372 13.2968 130.621 220.651 PRESSAVG: 3352800 8.93517 -24.8392 -48.1854 -24.8392 -5.24824 107.716 -48.1853 107.716 -31.3565 GPRESSAVG: 3352800 10.2229 -23.6377 -45.158 -27.1545 -4.82083 108.248 -51.4313 107.297 -32.6912 TIMING: 3352800 CPU: 10094.2, 0.00298753/step Wall: 10094.2, 0.00298753/step, 1.36696 hours remaining, 209.914062 MB of memory in use. ENERGY: 3352800 750.9624 2035.4168 1925.2688 111.5238 -206681.0435 18318.8291 0.0000 0.0000 34387.3668 -149151.6757 300.3134 -183539.0426 -149050.0056 299.4678 128.7224 162.9810 557592.5002 -9.2232 -9.0964 PRESSURE: 3353000 143.43 -201.367 -67.3306 -201.369 215.63 -98.1531 -67.3305 -98.1542 21.5628 GPRESSURE: 3353000 198.148 -176.626 -55.8804 -198.865 188.198 -63.5796 -15.1454 -44.5842 84.3679 PRESSAVG: 3353000 31.7782 2.1031 -4.78008 2.10312 48.438 6.73428 -4.78025 6.73431 -81.7753 GPRESSAVG: 3353000 31.6454 2.79925 -6.88973 2.41776 48.1711 7.32297 -2.53261 7.13487 -81.4264 TIMING: 3353000 CPU: 10094.8, 0.00299271/step Wall: 10094.8, 0.00299271/step, 1.36917 hours remaining, 209.914062 MB of memory in use. ENERGY: 3353000 725.6048 2115.1240 1927.4391 117.5100 -206242.2656 18006.1027 0.0000 0.0000 34118.2282 -149232.2568 297.9630 -183350.4850 -149135.9655 298.8465 126.8743 156.9046 557640.6990 -0.5197 -0.5366 PRESSURE: 3353200 -270.697 7.8193 -80.8833 7.81965 -122.847 37.9898 -80.885 37.9923 -19.1611 GPRESSURE: 3353200 -173.934 13.8029 -130.957 -33.0453 -167.693 15.4668 -41.6699 142.331 33.365 PRESSAVG: 3353200 54.5548 -20.8842 -30.8717 -20.8842 -59.416 -83.1256 -30.8717 -83.1254 -16.7938 GPRESSAVG: 3353200 53.1974 -22.7697 -29.7708 -20.1825 -58.601 -83.9749 -31.5779 -82.1338 -16.4498 TIMING: 3353200 CPU: 10095.4, 0.00294623/step Wall: 10095.4, 0.00294623/step, 1.34774 hours remaining, 209.914062 MB of memory in use. ENERGY: 3353200 768.5534 2069.5926 1943.1154 113.0334 -205936.0747 17611.0559 0.0000 0.0000 34052.6807 -149378.0433 297.3905 -183430.7240 -149283.2202 298.3797 -137.5683 -102.7541 556934.0029 -7.2183 -7.2845 PRESSURE: 3353400 186.672 -197.278 -186.886 -197.278 37.4901 -142.461 -186.887 -142.461 249.281 GPRESSURE: 3353400 182.423 -197.198 -106.505 -120.394 113.993 -166.905 -268.792 -125.963 282.229 PRESSAVG: 3353400 57.3658 37.0693 -23.7933 37.0693 -14.5029 -90.8008 -23.7933 -90.8008 10.096 GPRESSAVG: 3353400 58.1433 38.5891 -25.7123 35.1656 -14.0875 -87.961 -24.6303 -94.2839 9.5527 TIMING: 3353400 CPU: 10096, 0.00294361/step Wall: 10096, 0.00294361/step, 1.34638 hours remaining, 209.914062 MB of memory in use. ENERGY: 3353400 754.2606 2087.5454 1933.0538 99.2181 -206353.9547 18019.7499 0.0000 0.0000 34143.1282 -149316.9987 298.1804 -183460.1269 -149220.4407 299.6531 157.8144 192.8817 555602.2921 17.6529 17.8695 PRESSURE: 3353600 135.001 210.135 -11.1951 210.134 2.76731 93.4015 -11.1939 93.4019 -153.089 GPRESSURE: 3353600 157.953 227.011 -25.326 133.355 2.63052 93.0113 -15.2106 78.0379 -70.4486 PRESSAVG: 3353600 -31.26 39.5329 -37.8814 39.5329 44.8546 -48.3464 -37.8814 -48.3465 24.8542 GPRESSAVG: 3353600 -31.9511 39.0401 -37.1962 40.409 43.8889 -50.8157 -36.1088 -47.0256 26.1594 TIMING: 3353600 CPU: 10096.6, 0.0029547/step Wall: 10096.6, 0.0029547/step, 1.35128 hours remaining, 209.914062 MB of memory in use. ENERGY: 3353600 725.3694 2053.9565 1953.1486 102.1744 -206348.1214 17853.4026 0.0000 0.0000 34246.5248 -149413.5451 299.0834 -183660.0699 -149317.4080 299.3355 -5.1069 30.0449 556512.5822 12.8163 12.6991 PRESSURE: 3353800 219.002 -44.2801 -26.8477 -44.2792 155.452 66.7734 -26.8486 66.7736 -4.9765 GPRESSURE: 3353800 206.518 24.158 -3.70178 -162.5 204.089 147.504 -28.3614 68.2609 64.6882 PRESSAVG: 3353800 -11.0495 42.2341 -10.481 42.2341 -43.8806 7.5984 -10.481 7.59837 -3.86033 GPRESSAVG: 3353800 -10.4715 40.5595 -10.7307 43.0986 -44.5795 6.3785 -13.5717 7.54899 -3.71663 TIMING: 3353800 CPU: 10097.2, 0.00297353/step Wall: 10097.2, 0.00297354/step, 1.35973 hours remaining, 209.914062 MB of memory in use. ENERGY: 3353800 745.2859 2037.8197 1964.7428 113.7428 -206706.4151 18064.7935 0.0000 0.0000 34334.3383 -149445.6921 299.8503 -183780.0303 -149354.1340 299.0991 123.1592 158.4315 555580.0840 -19.5968 -19.5892 PRESSURE: 3354000 79.0592 -61.2429 -90.2184 -61.2432 -35.9048 -49.4381 -90.2182 -49.4372 137.374 GPRESSURE: 3354000 88.0393 -77.7554 -61.6404 -46.6317 -33.4712 -49.9748 -77.8482 -121.544 229.503 PRESSAVG: 3354000 -0.252376 7.55212 -35.0661 7.55216 29.8864 -15.6334 -35.0661 -15.6333 -24.6851 GPRESSAVG: 3354000 -0.562261 9.99934 -34.5542 6.8825 30.2915 -12.7141 -32.6836 -15.7076 -24.9319 TIMING: 3354000 CPU: 10097.8, 0.0029871/step Wall: 10097.8, 0.0029871/step, 1.36577 hours remaining, 209.914062 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: 3354000 698.1115 2040.2517 1966.1666 128.1419 -206232.7337 17625.2489 0.0000 0.0000 34311.7670 -149463.0460 299.6532 -183774.8130 -149360.4630 299.2801 60.1762 94.6904 556177.7983 1.6496 1.5991 PRESSURE: 3354200 -112.458 -53.1765 67.0945 -53.1769 112.803 88.9696 67.0952 88.9699 -143.403 GPRESSURE: 3354200 -64.4564 -150.363 -46.9563 -22.0603 125.081 83.6756 139.596 47.5364 -112.965 PRESSAVG: 3354200 46.4175 -1.72523 -49.3251 -1.7254 -10.3412 -37.9784 -49.3251 -37.9784 -23.8562 GPRESSAVG: 3354200 45.9567 -4.22351 -48.1032 -1.65553 -10.0553 -40.1121 -50.5407 -39.8526 -23.4222 TIMING: 3354200 CPU: 10098.4, 0.00300383/step Wall: 10098.4, 0.00300383/step, 1.37325 hours remaining, 210.175781 MB of memory in use. ENERGY: 3354200 701.9687 2104.5882 1904.4963 114.3614 -206326.5880 17798.4298 0.0000 0.0000 34220.9961 -149481.7476 298.8605 -183702.7437 -149384.6094 298.9037 -47.6860 -17.4467 556596.9842 4.0733 4.1597 PRESSURE: 3354400 -245.026 71.6701 -161.797 71.6717 -131.276 -13.0078 -161.796 -13.0081 -253.513 GPRESSURE: 3354400 -198.296 157.625 -44.2075 119.568 -54.6298 6.93538 -203.526 -50.9555 -274.15 PRESSAVG: 3354400 27.2823 -44.2499 -6.87294 -44.2499 6.53218 -62.011 -6.87291 -62.0111 -42.0008 GPRESSAVG: 3354400 28.5707 -44.6947 -6.57286 -43.9352 5.16818 -62.068 -5.49167 -59.3772 -42.0644 TIMING: 3354400 CPU: 10099, 0.00299589/step Wall: 10099, 0.00299589/step, 1.36945 hours remaining, 210.175781 MB of memory in use. ENERGY: 3354400 738.0021 2074.5507 1921.7875 114.9836 -206098.3327 17471.7643 0.0000 0.0000 34193.1028 -149584.1418 298.6169 -183777.2446 -149490.2275 298.8550 -209.9384 -175.6916 556316.4409 -2.7288 -2.7752 PRESSURE: 3354600 126.247 75.077 143.763 75.078 69.5224 50.5102 143.763 50.5106 -35.386 GPRESSURE: 3354600 139.645 48.6932 192.926 145.709 94.5538 -32.8278 155.643 146.302 18.4933 PRESSAVG: 3354600 14.3587 25.8409 11.3399 25.841 50.0181 48.52 11.3399 48.52 -50.2681 GPRESSAVG: 3354600 12.7525 27.104 11.2995 25.6388 52.0557 50.0357 11.8858 48.0526 -50.7474 TIMING: 3354600 CPU: 10099.6, 0.00301737/step Wall: 10099.6, 0.00301737/step, 1.3791 hours remaining, 210.175781 MB of memory in use. ENERGY: 3354600 754.8172 2034.4865 1941.6853 98.9354 -206397.1489 17959.7082 0.0000 0.0000 34105.4514 -149502.0650 297.8514 -183607.5164 -149402.7719 298.1200 53.4610 84.2309 557170.8374 4.7029 4.6869 PRESSURE: 3354800 -13.3372 -116.044 23.0791 -116.044 -66.7528 96.4972 23.0788 96.4966 22.4432 GPRESSURE: 3354800 -28.3552 -59.1161 -24.3579 -111.126 29.8375 74.3189 30.9278 77.0884 38.9313 PRESSAVG: 3354800 34.6216 -11.9462 17.8979 -11.9462 19.5882 69.4191 17.898 69.419 -21.3294 GPRESSAVG: 3354800 35.7109 -10.8355 17.0607 -11.8783 17.7966 67.2382 17.5938 69.5544 -21.0993 TIMING: 3354800 CPU: 10100.2, 0.00296711/step Wall: 10100.2, 0.00296711/step, 1.35597 hours remaining, 210.175781 MB of memory in use. ENERGY: 3354800 743.9448 2097.7650 1917.8333 114.0110 -206183.1031 17814.9369 0.0000 0.0000 34156.9237 -149337.6884 298.3009 -183494.6121 -149242.1653 298.5599 -19.2156 13.4712 557952.0930 10.9601 10.8028 PRESSURE: 3355000 77.1409 58.6376 87.0605 58.6378 -122.308 67.9494 87.0602 67.9496 -122.248 GPRESSURE: 3355000 106.451 50.5201 39.8635 59.8759 -56.8731 55.9714 42.0199 60.0433 -124.675 PRESSAVG: 3355000 8.17116 -16.8313 4.58206 -16.8312 -53.1453 40.4087 4.582 40.4087 9.80365 GPRESSAVG: 3355000 6.69651 -19.3742 4.72811 -17.8558 -52.9049 40.8928 2.68135 39.8672 10.8812 TIMING: 3355000 CPU: 10100.8, 0.0029579/step Wall: 10100.8, 0.0029579/step, 1.3516 hours remaining, 210.175781 MB of memory in use. ENERGY: 3355000 736.7913 2001.9601 1962.5706 116.1115 -206493.9134 17783.1156 0.0000 0.0000 34492.4726 -149400.8918 301.2313 -183893.3644 -149291.1190 298.9904 -55.8050 -25.0327 557341.9475 -11.7235 -11.7757 PRESSURE: 3355200 252.838 -151.133 -129.87 -151.132 158.533 53.6499 -129.872 53.6526 -25.8752 GPRESSURE: 3355200 255.521 -147.485 -85.5 -82.4409 185.441 16.8018 -122.815 13.0404 37.5087 PRESSAVG: 3355200 4.92353 -4.99022 -9.41625 -4.9902 33.7334 16.901 -9.41629 16.901 -19.7278 GPRESSAVG: 3355200 4.88153 -1.85116 -10.2549 -5.59028 33.098 18.0146 -6.11518 16.1096 -19.5692 TIMING: 3355200 CPU: 10101.4, 0.00297302/step Wall: 10101.4, 0.00297302/step, 1.35834 hours remaining, 210.175781 MB of memory in use. ENERGY: 3355200 708.9100 2102.9154 1947.5316 125.6502 -206235.9024 17917.6528 0.0000 0.0000 34263.0470 -149170.1956 299.2277 -183433.2426 -149082.4177 299.1852 128.4986 159.4905 557642.1112 6.3097 6.1368 PRESSURE: 3355400 90.8004 12.8496 -48.3751 12.8514 -141.483 -90.8718 -48.3748 -90.8731 -197.092 GPRESSURE: 3355400 114.869 17.73 4.86719 55.0725 -119.088 -65.6853 -106.639 -111.077 -127.169 PRESSAVG: 3355400 -2.03717 28.9576 39.1041 28.9576 11.9196 10.9565 39.104 10.9566 -24.6671 GPRESSAVG: 3355400 -2.1241 27.5575 41.188 29.7455 13.1442 9.91022 36.2198 11.6775 -25.3163 TIMING: 3355400 CPU: 10102, 0.00301793/step Wall: 10102, 0.00301793/step, 1.37869 hours remaining, 210.175781 MB of memory in use. ENERGY: 3355400 748.3212 2106.3580 1957.0015 116.1628 -206004.9695 17733.5673 0.0000 0.0000 34504.9695 -148838.5892 301.3405 -183343.5587 -148744.2357 300.3639 -82.5916 -43.7958 559485.5434 -4.9282 -4.7654 PRESSURE: 3355600 95.1526 48.7628 95.0886 48.7628 232.651 6.48882 95.0885 6.48848 21.9687 GPRESSURE: 3355600 119.381 77.2183 105.951 97.1599 310.733 -22.0903 97.0134 22.9341 16.0434 PRESSAVG: 3355600 -10.0088 -6.91892 35.3669 -6.91888 31.3336 -2.71703 35.3668 -2.71691 -9.22331 GPRESSAVG: 3355600 -9.96819 -5.38348 32.4878 -7.87492 31.0504 -3.33584 37.2319 -2.51018 -9.15579 TIMING: 3355600 CPU: 10102.6, 0.00302784/step Wall: 10102.6, 0.00302784/step, 1.38305 hours remaining, 210.175781 MB of memory in use. ENERGY: 3355600 785.2452 2048.6899 1967.0286 114.2084 -205948.7104 17830.2056 0.0000 0.0000 34137.7764 -149065.5563 298.1337 -183203.3327 -148976.6687 300.3653 116.5907 148.7188 558037.6300 4.0338 3.9755 PRESSURE: 3355800 106.304 -36.4465 19.1003 -36.4468 -19.9487 93.6237 19.1006 93.6242 -96.5351 GPRESSURE: 3355800 149.104 -86.3672 6.46219 -27.9501 61.0803 6.06863 69.7533 64.0507 -122.308 PRESSAVG: 3355800 -34.2189 -23.5242 22.8798 -23.5242 6.23227 7.49615 22.8798 7.49617 -18.753 GPRESSAVG: 3355800 -32.7647 -25.6277 24.1152 -21.6103 4.50215 8.00147 22.2142 6.82025 -18.2216 TIMING: 3355800 CPU: 10103.2, 0.00300869/step Wall: 10103.2, 0.00300869/step, 1.37413 hours remaining, 210.175781 MB of memory in use. ENERGY: 3355800 744.9108 2118.5149 1955.4600 107.7223 -206099.0046 17926.1369 0.0000 0.0000 34093.8016 -149152.4582 297.7496 -183246.2598 -149060.8792 298.8722 -3.3934 29.2920 557505.6067 -15.5799 -15.4947 PRESSURE: 3356000 -313.777 134.555 -76.2067 134.556 -27.2462 -107.642 -76.2073 -107.641 -106.213 GPRESSURE: 3356000 -268.09 173.725 -99.1417 153.328 -16.0908 -70.7063 -11.1966 -136.969 -72.4241 PRESSAVG: 3356000 48.2374 24.4774 53.1912 24.4773 -27.5218 48.9068 53.1913 48.9068 -33.9217 GPRESSAVG: 3356000 48.7661 24.7983 53.1127 23.7515 -26.8978 47.8159 53.4609 49.5867 -34.7398 TIMING: 3356000 CPU: 10103.8, 0.00302046/step Wall: 10103.8, 0.00302046/step, 1.37934 hours remaining, 210.175781 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: 3356000 757.6515 2114.7828 1955.6511 119.8695 -205754.9703 17666.0605 0.0000 0.0000 34083.1162 -149057.8387 297.6563 -183140.9549 -148969.8146 299.4802 -149.0785 -118.8682 558469.3233 -4.4020 -4.2905 PRESSURE: 3356200 -377.186 46.3808 78.8451 46.3808 -11.8261 -220.482 78.8446 -220.482 43.6261 GPRESSURE: 3356200 -414.773 184.199 71.5606 -33.7536 41.3816 -220.942 56.9183 -193.111 128.335 PRESSAVG: 3356200 -36.3837 17.573 10.1077 17.5731 -14.7597 -16.4445 10.1078 -16.4445 59.3263 GPRESSAVG: 3356200 -38.6011 18.5735 10.0793 17.7679 -13.2751 -15.8896 8.63592 -16.4761 60.2898 TIMING: 3356200 CPU: 10104.4, 0.00300327/step Wall: 10104.4, 0.00300327/step, 1.37133 hours remaining, 210.175781 MB of memory in use. ENERGY: 3356200 737.9494 2106.9494 1950.1143 112.0383 -205687.0718 17592.8274 0.0000 0.0000 34182.5162 -149004.6768 298.5244 -183187.1930 -148900.8597 298.9812 -115.1286 -81.6853 558300.6004 2.7276 2.8045 LDB: ============= START OF LOAD BALANCING ============== 10107.9 LDB: ============== END OF LOAD BALANCING =============== 10107.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10107.9 LDB: ============= START OF LOAD BALANCING ============== 10108.2 LDB: Largest compute 4802 load 0.028825 is 24.4% of average load 0.118192 LDB: Average compute 0.001739 is 1.5% of average load 0.118192 LDB: TIME 10108.2 LOAD: AVG 0.118192 MAX 0.206931 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.109 MB LDB: TIME 10108.2 LOAD: AVG 0.118192 MAX 0.206931 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.109 MB LDB: TIME 10108.2 LOAD: AVG 0.118192 MAX 0.206931 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.109 MB LDB: ============== END OF LOAD BALANCING =============== 10108.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10108.2 PRESSURE: 3356400 -31.2082 -39.7718 178.816 -39.7737 42.7377 73.5377 178.818 73.5385 12.5111 GPRESSURE: 3356400 16.9319 -72.8841 143.515 -11.1485 91.2112 6.88867 158.959 92.8676 22.6128 PRESSAVG: 3356400 0.735258 -32.9557 18.6476 -32.9556 -30.7157 -37.6399 18.6476 -37.6398 5.51418 GPRESSAVG: 3356400 0.635677 -33.8891 19.0628 -31.7708 -31.2356 -36.7488 18.4655 -38.5557 6.38082 TIMING: 3356400 CPU: 10105, 0.00307439/step Wall: 10105, 0.00307439/step, 1.40363 hours remaining, 208.941406 MB of memory in use. ENERGY: 3356400 749.7726 2035.8592 1949.8877 124.2259 -205860.5701 17856.1571 0.0000 0.0000 34259.6937 -148884.9739 299.1984 -183144.6676 -148788.1550 299.9670 8.0136 43.5853 558014.7087 -8.1554 -8.0730 PRESSURE: 3356600 -35.215 -8.95271 -85.1435 -8.95155 -272.419 -7.61533 -85.1434 -7.61712 -82.5341 GPRESSURE: 3356600 19.7976 11.719 -16.307 -55.2867 -242.416 65.5551 -177.18 43.3632 -75.9288 PRESSAVG: 3356600 43.5293 -24.6723 1.02482 -24.6723 -12.8117 53.0017 1.02475 53.0017 -41.4672 GPRESSAVG: 3356600 44.9186 -24.1245 1.63046 -26.0253 -13.4885 53.2908 2.32248 53.1566 -42.505 TIMING: 3356600 CPU: 10105.6, 0.00299759/step Wall: 10105.6, 0.00299759/step, 1.3684 hours remaining, 209.144531 MB of memory in use. ENERGY: 3356600 725.1920 2069.6917 1958.5962 110.1972 -205871.3835 17606.4623 0.0000 0.0000 34617.5051 -148783.7389 302.3233 -183401.2441 -148684.3715 300.5098 -130.0560 -99.5159 558540.3059 -3.5832 -3.6916 PRESSURE: 3356800 -308.054 92.4027 -18.177 92.4033 -464.829 -17.8956 -18.1767 -17.8966 -47.9392 GPRESSURE: 3356800 -229.229 90.5096 -61.9533 66.2413 -431.627 -23.135 9.67995 19.4594 -56.8367 PRESSAVG: 3356800 54.0198 -0.698887 0.924617 -0.69902 -10.8932 -0.476443 0.924561 -0.476444 -60.9805 GPRESSAVG: 3356800 54.4826 -1.51237 0.926247 -0.746334 -10.3024 -0.732383 0.213959 0.172588 -62.1132 TIMING: 3356800 CPU: 10106.2, 0.002989/step Wall: 10106.2, 0.002989/step, 1.36431 hours remaining, 209.144531 MB of memory in use. ENERGY: 3356800 737.5242 2089.1028 1944.9145 113.1647 -205900.6019 17523.0143 0.0000 0.0000 34622.0784 -148870.8031 302.3632 -183492.8815 -148772.9290 300.3652 -273.6074 -239.2311 560013.4879 -5.9513 -5.9777 PRESSURE: 3357000 -154.934 97.8867 125.324 97.8861 -249.556 76.6083 125.325 76.6071 -127.559 GPRESSURE: 3357000 -105.547 25.5144 -15.923 109.536 -203.866 117.41 128.898 -11.3466 -132.655 PRESSAVG: 3357000 35.0672 35.6379 67.81 35.638 1.68421 -22.9941 67.8101 -22.9939 -44.6187 GPRESSAVG: 3357000 33.7311 36.1459 66.7337 35.3613 1.25118 -23.6667 68.0071 -25.1579 -43.3549 TIMING: 3357000 CPU: 10106.8, 0.00298814/step Wall: 10106.8, 0.00298814/step, 1.36375 hours remaining, 209.144531 MB of memory in use. ENERGY: 3357000 768.6743 2082.0710 1939.7755 123.1983 -205789.8687 17689.4804 0.0000 0.0000 34320.2670 -148866.4023 299.7274 -183186.6693 -148772.9011 300.3794 -177.3497 -147.3558 559483.0365 -2.6224 -2.7909 PRESSURE: 3357200 149.763 63.8235 -4.36783 63.8242 -99.6253 -168.04 -4.36806 -168.04 -94.5753 GPRESSURE: 3357200 183.345 -33.2917 35.5302 127.824 -90.6341 -291.378 -36.8091 -123.918 -48.0088 PRESSAVG: 3357200 -15.2524 15.5538 -4.29687 15.5538 -28.7565 -20.7797 -4.29686 -20.7799 21.7408 GPRESSAVG: 3357200 -15.0222 17.0468 -3.7515 15.287 -28.7169 -21.2943 -3.94463 -17.8609 21.8803 TIMING: 3357200 CPU: 10107.4, 0.00298746/step Wall: 10107.4, 0.00298746/step, 1.36328 hours remaining, 209.144531 MB of memory in use. ENERGY: 3357200 758.2096 2035.4685 1937.6230 115.4307 -205715.5752 17659.7442 0.0000 0.0000 34262.5532 -148946.5461 299.2234 -183209.0993 -148847.8966 299.6189 -14.8124 14.9005 559188.5297 -7.4227 -7.2863 PRESSURE: 3357400 79.4468 -28.4499 -169.019 -28.4493 -411.003 -23.2888 -169.02 -23.2877 263.687 GPRESSURE: 3357400 57.4177 -56.2161 -127.557 -49.7834 -316.373 -25.6337 -175.293 -49.248 288.93 PRESSAVG: 3357400 34.2639 -22.9409 -34.905 -22.9408 -63.5151 -16.0451 -34.905 -16.0449 59.0756 GPRESSAVG: 3357400 33.7632 -25.2642 -33.8074 -21.8119 -63.6522 -16.0741 -35.6245 -16.4727 59.5708 TIMING: 3357400 CPU: 10108, 0.00300519/step Wall: 10108, 0.00300519/step, 1.3712 hours remaining, 209.269531 MB of memory in use. ENERGY: 3357400 743.1130 2040.0555 1916.2737 112.1699 -205776.1232 17687.1415 0.0000 0.0000 34320.8178 -148956.5518 299.7322 -183277.3696 -148859.7292 299.9062 -22.6230 9.9916 558259.5269 9.9415 9.8939 PRESSURE: 3357600 -55.986 25.6154 -54.0618 25.6145 72.1675 65.514 -54.0617 65.5143 -79.2348 GPRESSURE: 3357600 2.35186 4.56284 19.1688 29.8899 129.607 99.34 14.8219 65.4051 -100.943 PRESSAVG: 3357600 16.8137 -5.09778 -51.0624 -5.09786 -46.1998 -29.2643 -51.0623 -29.2643 41.6153 GPRESSAVG: 3357600 17.4242 -5.98347 -50.8346 -5.72411 -46.2047 -28.253 -49.9352 -29.4965 40.7208 TIMING: 3357600 CPU: 10108.6, 0.00302797/step Wall: 10108.6, 0.00302797/step, 1.38143 hours remaining, 209.269531 MB of memory in use. ENERGY: 3357600 739.9657 2070.4335 1941.3607 110.6980 -205771.3771 17678.7129 0.0000 0.0000 34365.1654 -148865.0408 300.1195 -183230.2062 -148769.6032 300.2188 -21.0178 10.3386 558280.7508 4.0764 3.9801 PRESSURE: 3357800 -40.4072 165.042 -72.9806 165.041 47.6992 43.3186 -72.9815 43.3192 -157.144 GPRESSURE: 3357800 -4.5168 59.4134 -38.5299 211.261 66.8279 13.7924 -156.371 21.1494 -109.212 PRESSAVG: 3357800 41.6668 3.80449 -7.68278 3.80444 -43.8851 45.375 -7.68274 45.3751 -10.9116 GPRESSAVG: 3357800 41.0422 2.97454 -9.28408 4.13104 -44.0362 45.103 -8.87733 44.7499 -10.8575 TIMING: 3357800 CPU: 10109.2, 0.00301867/step Wall: 10109.2, 0.00301867/step, 1.37702 hours remaining, 209.269531 MB of memory in use. ENERGY: 3357800 723.0984 2070.8998 1942.8110 114.2564 -205876.5892 17646.6659 0.0000 0.0000 34283.0949 -149095.7626 299.4028 -183378.8575 -149000.8365 299.9734 -49.9508 -15.6337 557541.1037 -4.3767 -4.6171 PRESSURE: 3358000 177.875 120.217 94.5651 120.219 -94.0309 -5.17017 94.5636 -5.16993 -31.6066 GPRESSURE: 3358000 206.996 65.7261 85.9373 217.963 -82.3057 -32.7236 69.006 -90.3746 34.2499 PRESSAVG: 3358000 56.883 22.4538 -37.8251 22.4537 -11.9152 29.5812 -37.8251 29.5812 -22.7619 GPRESSAVG: 3358000 58.2949 23.2768 -37.6759 22.8434 -13.0897 29.2195 -38.3534 28.3128 -22.3811 TIMING: 3358000 CPU: 10109.8, 0.00296855/step Wall: 10109.8, 0.00296855/step, 1.35399 hours remaining, 209.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3358000 722.5330 2096.4863 1928.2243 120.8488 -205976.0083 17827.8807 0.0000 0.0000 34195.2109 -149084.8243 298.6353 -183280.0352 -148987.0524 299.6401 17.4126 52.9802 557271.4320 7.4020 7.6080 PRESSURE: 3358200 165.568 63.6135 2.42914 63.6132 135.642 48.2173 2.42871 48.2174 399.333 GPRESSURE: 3358200 227.801 31.9114 -18.9825 15.7787 147.476 3.02448 68.9525 109.591 413.154 PRESSAVG: 3358200 101.961 -55.0349 -12.6784 -55.0349 -40.565 20.177 -12.6784 20.1769 -55.5702 GPRESSAVG: 3358200 100.59 -52.5814 -13.3343 -56.2953 -38.6756 19.8659 -11.707 21.2661 -55.9454 TIMING: 3358200 CPU: 10110.4, 0.00298041/step Wall: 10110.4, 0.00298041/step, 1.35923 hours remaining, 209.269531 MB of memory in use. ENERGY: 3358200 720.9873 2099.0005 1947.7050 113.6475 -206355.9471 18061.4056 0.0000 0.0000 34241.9934 -149171.2077 299.0438 -183413.2011 -149075.8440 298.8700 233.5140 262.8104 557961.0940 1.9421 1.9896 PRESSURE: 3358400 -130.328 -6.8219 -58.8252 -6.8213 106.078 -99.8742 -58.8278 -99.8735 -171.951 GPRESSURE: 3358400 -84.6981 59.796 36.4143 27.2086 114.339 -82.7366 -58.2764 -92.8876 -132.04 PRESSAVG: 3358400 31.959 66.1246 -26.5671 66.1248 11.0947 -11.8664 -26.5671 -11.8662 4.93185 GPRESSAVG: 3358400 32.1901 63.1832 -26.1054 67.6964 10.51 -11.7336 -27.3257 -10.7128 4.73106 TIMING: 3358400 CPU: 10111, 0.00297231/step Wall: 10111, 0.00297231/step, 1.35537 hours remaining, 209.472656 MB of memory in use. ENERGY: 3358400 720.2815 2108.2254 1976.7441 119.8340 -205983.5363 17665.0880 0.0000 0.0000 34237.9639 -149155.3995 299.0087 -183393.3633 -149063.6329 299.4989 -65.4003 -34.1332 556957.2975 15.9952 15.8104 PRESSURE: 3358600 40.0051 66.3828 78.0316 66.3841 67.4863 4.33067 78.0309 4.32967 -103.438 GPRESSURE: 3358600 49.1157 29.7355 82.2309 115.207 134.927 57.2904 59.4481 -3.33782 -84.9362 PRESSAVG: 3358600 53.2285 -9.95974 35.3816 -9.95981 -49.8922 -36.2909 35.3815 -36.291 54.0417 GPRESSAVG: 3358600 50.8328 -7.92611 36.6565 -11.5059 -47.7848 -37.4965 35.4311 -37.5384 54.9552 TIMING: 3358600 CPU: 10111.6, 0.00298456/step Wall: 10111.6, 0.00298456/step, 1.36079 hours remaining, 209.472656 MB of memory in use. ENERGY: 3358600 742.2584 2079.9077 1962.0543 120.8282 -206136.5298 17548.7623 0.0000 0.0000 34429.9675 -149252.7514 300.6855 -183682.7189 -149159.0719 299.4965 1.3510 33.0356 557329.6069 19.1260 19.3344 PRESSURE: 3358800 55.4467 -19.1058 -53.9661 -19.1048 166.853 103.785 -53.9669 103.785 -51.0443 GPRESSURE: 3358800 104.878 -43.9217 -63.4324 -13.523 208.048 120.451 -98.569 186.169 -59.6785 PRESSAVG: 3358800 -16.4345 15.038 40.709 15.0379 41.3421 -12.5121 40.7089 -12.5121 -6.49209 GPRESSAVG: 3358800 -13.1417 14.5767 39.8514 16.2571 39.4817 -9.1815 41.3668 -11.6322 -7.34433 TIMING: 3358800 CPU: 10112.2, 0.00300236/step Wall: 10112.2, 0.00300236/step, 1.36874 hours remaining, 209.472656 MB of memory in use. ENERGY: 3358800 780.9271 2046.5068 1947.8684 116.2352 -206570.7946 18007.2779 0.0000 0.0000 34384.6439 -149287.3353 300.2896 -183671.9792 -149193.5129 299.8317 57.0850 84.4157 557769.3672 6.1385 6.3319 PRESSURE: 3359000 -27.8418 -85.073 146.314 -85.0733 -33.019 -83.7777 146.315 -83.7776 68.9655 GPRESSURE: 3359000 41.4614 -138.124 192.501 -39.3842 -13.5678 -22.2858 62.5971 -57.8066 83.5312 PRESSAVG: 3359000 -23.6318 -68.354 -32.0508 -68.354 39.4616 8.78051 -32.0507 8.78052 -19.8861 GPRESSAVG: 3359000 -24.5026 -67.7162 -32.7252 -69.4598 39.5759 7.93879 -31.5849 7.5459 -18.455 TIMING: 3359000 CPU: 10112.8, 0.00298415/step Wall: 10112.8, 0.00298415/step, 1.36027 hours remaining, 209.472656 MB of memory in use. ENERGY: 3359000 722.8039 2060.5560 1934.1655 106.8423 -206114.5433 17674.2003 0.0000 0.0000 34249.4868 -149366.4885 299.1093 -183615.9753 -149272.6658 299.4887 2.7016 37.1416 555332.4309 -1.3521 -1.1272 PRESSURE: 3359200 -56.5329 -93.9281 217.978 -93.9283 -246.388 56.3167 217.979 56.3163 -278.696 GPRESSURE: 3359200 -50.0659 -76.4996 194.77 -45.2698 -199.779 -23.7155 220.906 109.383 -229.474 PRESSAVG: 3359200 3.04647 -51.1168 34.3919 -51.1169 27.3948 -27.2177 34.3919 -27.2178 -15.1126 GPRESSAVG: 3359200 2.73603 -50.8446 34.3027 -50.0806 27.8413 -28.049 35.2804 -28.083 -15.3517 TIMING: 3359200 CPU: 10113.4, 0.00297958/step Wall: 10113.4, 0.00297958/step, 1.35803 hours remaining, 209.472656 MB of memory in use. ENERGY: 3359200 748.2603 2116.0162 1941.6941 110.9300 -206139.2980 17529.8660 0.0000 0.0000 34392.1526 -149300.3788 300.3552 -183692.5313 -149206.1945 298.6836 -193.8723 -159.7730 557300.7245 5.1096 5.0752 PRESSURE: 3359400 -108.598 -137.794 -96.4193 -137.793 -33.1576 71.3539 -96.4191 71.3539 -145.064 GPRESSURE: 3359400 -78.7183 -75.2899 -50.8345 -205.387 -19.6554 1.41988 -90.2951 194.945 -95.3027 PRESSAVG: 3359400 65.7671 1.76309 8.10694 1.76315 -29.0497 -17.457 8.10698 -17.457 -34.4197 GPRESSAVG: 3359400 67.3535 0.860122 10.2573 1.25734 -29.1211 -17.4484 6.85129 -14.3279 -35.6662 TIMING: 3359400 CPU: 10114, 0.00298345/step Wall: 10114, 0.00298345/step, 1.35962 hours remaining, 209.472656 MB of memory in use. ENERGY: 3359400 751.1721 2186.2062 1926.9054 102.4324 -206057.4097 17657.8441 0.0000 0.0000 34187.9053 -149244.9443 298.5715 -183432.8495 -149153.9657 299.2004 -95.6063 -64.5588 557156.3533 0.7659 0.8554 PRESSURE: 3359600 -104.922 -70.7641 -85.3144 -70.7637 -135.358 -232.135 -85.3159 -232.136 -263.137 GPRESSURE: 3359600 -89.5518 -60.0271 -97.068 -115.576 -113.922 -155.026 -36.0008 -252.713 -215.565 PRESSAVG: 3359600 7.69186 11.8458 -42.8505 11.8458 39.2683 -26.8789 -42.8505 -26.8789 -65.3934 GPRESSAVG: 3359600 6.7543 12.3509 -43.5532 11.0978 39.1926 -25.1841 -44.9463 -28.5169 -64.5456 TIMING: 3359600 CPU: 10114.6, 0.00303336/step Wall: 10114.6, 0.00303336/step, 1.3822 hours remaining, 209.472656 MB of memory in use. ENERGY: 3359600 756.1782 2130.6770 1935.0308 122.4643 -205926.4594 17465.8857 0.0000 0.0000 34340.7680 -149175.4553 299.9065 -183516.2233 -149083.8464 299.3212 -167.8053 -139.6795 555899.5627 -6.1444 -6.1996 PRESSURE: 3359800 -57.3602 135.475 128.853 135.475 40.0088 196.041 128.853 196.04 -69.9505 GPRESSURE: 3359800 -0.654336 161.418 158.213 94.2424 -23.7362 206.622 94.1818 126.981 25.7525 PRESSAVG: 3359800 40.1621 -44.5176 -4.89831 -44.5176 12.8774 64.0023 -4.8983 64.0021 -84.6356 GPRESSAVG: 3359800 39.8187 -44.4772 -5.5264 -43.136 14.0186 63.9963 -3.9309 62.4771 -85.2209 TIMING: 3359800 CPU: 10115.2, 0.00303392/step Wall: 10115.2, 0.00303392/step, 1.38229 hours remaining, 209.472656 MB of memory in use. ENERGY: 3359800 738.1161 2124.2432 1957.6899 109.0438 -206317.3596 17686.0870 0.0000 0.0000 34166.3752 -149535.8044 298.3835 -183702.1797 -149444.3606 299.2790 -29.1006 0.4540 555734.9804 -10.5320 -10.4612 PRESSURE: 3360000 142.677 96.8194 -59.7285 96.8202 -11.6511 85.9702 -59.7278 85.9677 -135.497 GPRESSURE: 3360000 173.802 99.2033 -50.9157 128.496 42.4554 66.3186 -38.2792 163.909 -125.154 PRESSAVG: 3360000 9.62809 8.26382 -5.75384 8.26392 16.2275 49.4565 -5.75385 49.4566 9.50985 GPRESSAVG: 3360000 10.381 7.50335 -7.79857 6.90424 15.9349 47.8555 -2.77613 52.1998 9.13803 TIMING: 3360000 CPU: 10115.8, 0.003013/step Wall: 10115.8, 0.003013/step, 1.37259 hours remaining, 209.472656 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: 3360000 732.2735 2099.4323 1963.2504 107.7246 -206575.2669 17915.1895 0.0000 0.0000 34175.7767 -149581.6200 298.4656 -183757.3967 -149490.4241 298.2232 -1.4904 30.3679 557268.8160 11.7885 11.8180 PRESSURE: 3360200 33.2212 -109.383 91.3294 -109.383 -192.369 42.2665 91.3303 42.2657 -264.717 GPRESSURE: 3360200 86.6547 -81.2487 114.909 -114.561 -175.231 15.7879 98.4841 56.7288 -240.026 PRESSAVG: 3360200 58.2086 -1.15271 -68.5657 -1.15272 36.161 -28.3858 -68.5658 -28.3858 -76.0971 GPRESSAVG: 3360200 57.9064 0.220797 -66.0349 -0.108565 35.7403 -27.4011 -70.1401 -31.7381 -74.8576 TIMING: 3360200 CPU: 10116.4, 0.00299722/step Wall: 10116.4, 0.00299722/step, 1.36523 hours remaining, 209.472656 MB of memory in use. ENERGY: 3360200 763.1936 2053.8906 1944.1809 115.7818 -206299.3210 17809.2329 0.0000 0.0000 34043.8780 -149569.1632 297.3137 -183613.0412 -149470.4144 297.8799 -141.2881 -109.5341 557183.1571 6.0908 6.2630 LDB: ============= START OF LOAD BALANCING ============== 10119.9 LDB: ============== END OF LOAD BALANCING =============== 10119.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10119.9 LDB: ============= START OF LOAD BALANCING ============== 10120.2 LDB: Largest compute 4773 load 0.028893 is 24.5% of average load 0.118134 LDB: Average compute 0.001744 is 1.5% of average load 0.118134 LDB: TIME 10120.2 LOAD: AVG 0.118134 MAX 0.20667 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 10120.2 LOAD: AVG 0.118134 MAX 0.20667 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.203 MB LDB: TIME 10120.2 LOAD: AVG 0.118134 MAX 0.20667 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.203 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10120.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10120.2 PRESSURE: 3360400 -189.649 31.5185 -14.5002 31.5165 -36.7792 9.71272 -14.4983 9.71274 4.9277 GPRESSURE: 3360400 -187.248 -47.0863 -33.447 21.7988 17.7994 11.6451 -11.3097 4.09664 47.3601 PRESSAVG: 3360400 -7.92522 -19.0834 -8.89812 -19.0835 -36.2904 -22.6412 -8.89798 -22.6412 46.218 GPRESSAVG: 3360400 -9.28922 -23.6985 -8.91899 -17.7563 -36.1905 -22.9301 -9.54207 -20.2248 47.1385 TIMING: 3360400 CPU: 10117, 0.00307464/step Wall: 10117, 0.00307464/step, 1.40033 hours remaining, 209.710938 MB of memory in use. ENERGY: 3360400 747.7677 2060.4955 1940.6927 109.9382 -206343.5180 17782.3310 0.0000 0.0000 34128.5068 -149573.7861 298.0527 -183702.2929 -149475.4919 297.6230 -73.8334 -40.6962 556815.7734 0.6675 0.5529 PRESSURE: 3360600 -13.1996 -20.539 182.044 -20.5394 168.317 122.917 182.044 122.917 81.5437 GPRESSURE: 3360600 0.108247 28.7999 93.8557 -43.7858 212.382 114.526 135.918 102.384 129.142 PRESSAVG: 3360600 6.70772 -43.844 -34.2584 -43.8439 -59.495 -6.96683 -34.2584 -6.96689 -16.1801 GPRESSAVG: 3360600 8.45564 -39.2312 -34.9048 -45.7875 -59.3439 -7.47722 -34.9627 -4.44622 -18.3762 TIMING: 3360600 CPU: 10117.6, 0.00303151/step Wall: 10117.6, 0.00303151/step, 1.38052 hours remaining, 210.171875 MB of memory in use. ENERGY: 3360600 729.4335 2090.0274 1925.1643 120.1797 -206767.3920 17965.4404 0.0000 0.0000 34302.1273 -149635.0194 299.5690 -183937.1467 -149543.6729 298.4192 78.8869 113.8774 556400.4218 -22.9891 -23.0881 PRESSURE: 3360800 -96.6882 -113.07 12.9153 -113.069 -57.1437 -13.6239 12.9164 -13.6235 -118.242 GPRESSURE: 3360800 -77.8982 -96.5031 41.1685 -174.484 33.9709 14.0551 28.6288 -19.8748 -131.78 PRESSAVG: 3360800 -5.10306 -17.077 13.312 -17.077 -55.1492 50.7228 13.312 50.7228 24.1982 GPRESSAVG: 3360800 -5.384 -18.9304 11.7635 -16.8723 -55.4671 51.8763 15.3203 49.4603 24.6323 TIMING: 3360800 CPU: 10118.2, 0.00302566/step Wall: 10118.2, 0.00302566/step, 1.37768 hours remaining, 210.171875 MB of memory in use. ENERGY: 3360800 749.0987 2019.2564 1944.5756 115.4512 -206642.6528 17871.9877 0.0000 0.0000 34318.1745 -149624.1087 299.7092 -183942.2831 -149532.6515 298.1354 -90.6915 -58.5692 556136.8817 -12.0180 -12.0729 PRESSURE: 3361000 97.2191 31.3 87.8859 31.302 165.273 -41.1191 87.8855 -41.1189 -126.291 GPRESSURE: 3361000 132.691 72.6948 1.98522 16.9307 245.529 -63.4084 99.6066 -72.1212 -130.806 PRESSAVG: 3361000 8.90258 -73.9894 -30.856 -73.9894 -11.893 -36.1934 -30.8559 -36.1933 41.5678 GPRESSAVG: 3361000 9.60468 -71.6823 -30.4463 -75.91 -13.1081 -35.691 -32.0949 -36.3565 41.4738 TIMING: 3361000 CPU: 10118.8, 0.00300094/step Wall: 10118.8, 0.00300094/step, 1.36626 hours remaining, 210.171875 MB of memory in use. ENERGY: 3361000 743.1671 2081.4182 1918.2952 118.6909 -206771.4481 17927.2013 0.0000 0.0000 34309.8030 -149672.8724 299.6360 -183982.6754 -149576.2079 298.5281 45.4005 82.4716 554206.7040 12.8592 12.6568 PRESSURE: 3361200 -120.696 -19.4734 -88.423 -19.472 -107.212 -80.3254 -88.4224 -80.3247 58.482 GPRESSURE: 3361200 -65.9824 15.0299 -44.2801 -128.63 -100.202 -121.661 -87.862 -119.209 96.6294 PRESSAVG: 3361200 -13.6454 -50.2825 79.1566 -50.2824 14.2573 -44.9309 79.1566 -44.9309 29.2477 GPRESSAVG: 3361200 -14.8026 -51.3657 79.9938 -49.3586 14.8007 -43.1002 78.9713 -47.2707 30.1488 TIMING: 3361200 CPU: 10119.4, 0.00298045/step Wall: 10119.4, 0.00298045/step, 1.35677 hours remaining, 210.171875 MB of memory in use. ENERGY: 3361200 739.5922 2074.0953 1929.8273 102.3481 -206170.6833 17537.5105 0.0000 0.0000 33921.1581 -149866.1519 296.2419 -183787.3099 -149776.0228 297.4860 -56.4752 -23.1851 555211.7313 9.9532 10.0490 PRESSURE: 3361400 -78.243 -72.6146 124.139 -72.614 77.2498 52.857 124.14 52.8576 -204.305 GPRESSURE: 3361400 -26.6369 -29.9993 76.9332 -104.964 82.9251 56.6065 197.127 49.4363 -158.263 PRESSAVG: 3361400 24.7223 12.5304 2.88642 12.5304 11.1874 -3.95102 2.88647 -3.95108 -65.7543 GPRESSAVG: 3361400 25.858 12.8426 1.5695 11.4128 10.2871 -6.6913 2.71884 -3.71507 -66.3532 TIMING: 3361400 CPU: 10120, 0.0029491/step Wall: 10120, 0.0029491/step, 1.34233 hours remaining, 210.242188 MB of memory in use. ENERGY: 3361400 708.0008 2018.3757 1963.7586 111.7546 -206495.3110 17767.4328 0.0000 0.0000 34101.9193 -149824.0693 297.8205 -183925.9886 -149731.1975 297.2507 -68.4329 -33.9916 555641.6697 -9.9482 -10.0694 PRESSURE: 3361600 -35.6231 -32.8125 74.0807 -32.8131 82.2427 24.8311 74.0822 24.8317 -185.385 GPRESSURE: 3361600 36.4635 -14.9972 19.7252 -41.584 137.173 56.8035 102.759 9.92804 -218.199 PRESSAVG: 3361600 -16.8724 12.8166 -0.884148 12.8166 30.0965 -51.5474 -0.88417 -51.5474 -25.6996 GPRESSAVG: 3361600 -17.9524 13.2927 -1.90221 13.6631 31.2511 -53.5193 1.23135 -49.0428 -25.3405 TIMING: 3361600 CPU: 10120.6, 0.00297132/step Wall: 10120.6, 0.00297132/step, 1.35228 hours remaining, 210.242188 MB of memory in use. ENERGY: 3361600 748.8469 2058.4350 1918.0951 121.1884 -206340.7697 17684.0387 0.0000 0.0000 33996.5338 -149813.6318 296.9002 -183810.1656 -149725.3294 297.4425 -46.2553 -14.8540 556075.3165 -4.1585 -4.0139 PRESSURE: 3361800 72.4038 74.0271 -79.9385 74.0273 -119.866 -42.1825 -79.9369 -42.1818 128.28 GPRESSURE: 3361800 80.6022 42.8598 -52.8256 40.2052 -62.4483 -102.385 -12.5656 47.562 156.889 PRESSAVG: 3361800 -4.62325 -13.6049 -21.1455 -13.6049 -9.0026 -41.8477 -21.1454 -41.8476 -28.7957 GPRESSAVG: 3361800 -3.82237 -13.8342 -18.8997 -12.9935 -9.06652 -41.313 -23.0156 -43.7557 -29.5795 TIMING: 3361800 CPU: 10121.2, 0.00295993/step Wall: 10121.2, 0.00295993/step, 1.34693 hours remaining, 210.242188 MB of memory in use. ENERGY: 3361800 725.9061 2082.5067 1920.0518 127.2356 -206274.9200 17722.5702 0.0000 0.0000 34104.4788 -149592.1709 297.8429 -183696.6496 -149494.7874 298.0294 26.9392 58.3477 556155.2879 -14.1405 -14.1561 PRESSURE: 3362000 -120.838 40.2102 68.0783 40.2097 -42.9649 107.641 68.0794 107.641 -322.442 GPRESSURE: 3362000 -73.2908 -7.59872 31.2715 84.564 -23.3945 97.0148 28.5253 7.18411 -291.65 PRESSAVG: 3362000 -28.7237 40.3797 35.2196 40.3797 15.0566 27.6514 35.2197 27.6514 0.0279174 GPRESSAVG: 3362000 -30.5047 39.1337 36.4778 39.9783 15.6909 29.0601 35.4578 29.2794 1.47613 TIMING: 3362000 CPU: 10121.8, 0.00295456/step Wall: 10121.8, 0.00295456/step, 1.34433 hours remaining, 210.242188 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: 3362000 751.5535 2071.6750 1935.1980 120.9943 -206322.1855 17619.1465 0.0000 0.0000 34144.9976 -149678.6206 298.1968 -183823.6182 -149586.6669 298.4013 -162.0814 -129.4450 556366.6927 -4.5464 -4.4459 PRESSURE: 3362200 -145.452 45.5461 -17.4304 45.5463 145.049 -225.423 -17.4303 -225.423 -365.086 GPRESSURE: 3362200 -125.543 116.85 2.36649 65.4081 151.508 -199.614 -27.7662 -153.541 -285.487 PRESSAVG: 3362200 6.81834 5.02337 -14.7499 5.0234 29.5621 9.17121 -14.75 9.17126 -13.7636 GPRESSAVG: 3362200 7.32678 5.82314 -16.0654 6.30177 28.3563 9.83533 -16.6041 7.8232 -13.1613 TIMING: 3362200 CPU: 10122.4, 0.0029561/step Wall: 10122.4, 0.0029561/step, 1.34486 hours remaining, 210.242188 MB of memory in use. ENERGY: 3362200 735.6387 2025.9401 1919.5817 123.8584 -206568.2443 17828.7470 0.0000 0.0000 34151.5246 -149782.9538 298.2538 -183934.4784 -149688.0838 298.4067 -121.8295 -86.5074 556641.8472 7.5389 7.5072 PRESSURE: 3362400 -18.8493 131.309 -85.0493 131.309 -77.3113 -88.0543 -85.0501 -88.0533 -10.7567 GPRESSURE: 3362400 48.9262 180.14 -56.109 97.3591 -85.8993 -67.6197 -44.5109 -176.17 27.5927 PRESSAVG: 3362400 74.5365 12.1968 27.7241 12.1967 -15.4421 -1.49215 27.7241 -1.49221 -42.2602 GPRESSAVG: 3362400 74.7955 12.7592 28.2412 9.02694 -14.2861 -2.69073 30.755 -0.790746 -42.6447 TIMING: 3362400 CPU: 10123, 0.00296921/step Wall: 10123, 0.00296921/step, 1.35066 hours remaining, 210.242188 MB of memory in use. ENERGY: 3362400 720.2401 2121.8925 1941.0708 114.9182 -206501.0413 17829.0504 0.0000 0.0000 34045.7091 -149728.1600 297.3296 -183773.8692 -149630.7991 298.5969 -35.6391 -3.1268 556096.1764 5.6114 5.9549 PRESSURE: 3362600 109.431 -52.3242 132.534 -52.3244 176.534 157.079 132.536 157.08 84.82 GPRESSURE: 3362600 199.51 -142.693 210.822 -11.9444 203.485 195.658 86.3735 199.768 69.8991 PRESSAVG: 3362600 97.1048 -1.24926 -0.407441 -1.24911 -42.7268 -3.95595 -0.407403 -3.95583 15.0883 GPRESSAVG: 3362600 97.1233 -3.44928 -0.974228 0.820429 -43.6913 -6.29389 -3.28719 -3.39859 15.7908 TIMING: 3362600 CPU: 10123.6, 0.00300928/step Wall: 10123.6, 0.00300928/step, 1.36872 hours remaining, 210.242188 MB of memory in use. ENERGY: 3362600 732.6945 2076.7433 1923.3631 118.8577 -206602.5589 17992.0426 0.0000 0.0000 34146.3626 -149612.4950 298.2087 -183758.8576 -149519.5398 298.1965 123.5949 157.6314 556064.0832 23.1554 23.0743 PRESSURE: 3362800 -49.4785 -25.6432 124.108 -25.6418 39.2752 64.758 124.109 64.7598 289.154 GPRESSURE: 3362800 -30.5939 0.538616 132.8 -65.6256 79.7906 79.6446 155.016 79.6614 325.505 PRESSAVG: 3362800 -30.9456 -35.5224 43.7303 -35.5224 59.5192 2.44973 43.7301 2.4499 -20.6192 GPRESSAVG: 3362800 -30.0448 -33.9808 42.3397 -33.839 60.2229 6.0743 46.3804 0.768187 -22.1889 TIMING: 3362800 CPU: 10124.2, 0.00298397/step Wall: 10124.2, 0.00298397/step, 1.35704 hours remaining, 210.242188 MB of memory in use. ENERGY: 3362800 737.5080 2078.7524 1958.1082 122.6377 -206778.9877 17944.8249 0.0000 0.0000 34362.0978 -149575.0588 300.0927 -183937.1566 -149476.8873 298.0772 92.9835 124.9005 555557.0444 2.6515 2.6631 PRESSURE: 3363000 355.664 -108.776 109.544 -108.775 204.096 -194.624 109.545 -194.626 193.324 GPRESSURE: 3363000 359.162 -129.156 132.106 -128.323 239.149 -180.003 134.042 -241.611 242.858 PRESSAVG: 3363000 25.2248 -33.4284 -30.4778 -33.4285 -27.5032 -6.13312 -30.4779 -6.13313 19.3451 GPRESSAVG: 3363000 24.2487 -35.5222 -29.8762 -34.0108 -27.0266 -5.80072 -34.6625 -5.02097 19.6415 TIMING: 3363000 CPU: 10124.8, 0.00296303/step Wall: 10124.8, 0.00296303/step, 1.34735 hours remaining, 210.242188 MB of memory in use. ENERGY: 3363000 742.4237 2125.9965 1938.6717 101.3390 -206533.8890 18091.6238 0.0000 0.0000 34139.8829 -149393.9514 298.1521 -183533.8343 -149296.0729 298.3059 251.0281 280.3897 555125.4905 5.6889 5.6212 PRESSURE: 3363200 -64.9989 -155.596 18.2082 -155.594 -160.591 159.233 18.207 159.234 30.7366 GPRESSURE: 3363200 -29.7825 -191.554 12.5053 -200.632 -84.3832 228.091 5.03993 43.2759 13.3511 PRESSAVG: 3363200 -2.70257 -32.0535 -3.58403 -32.0535 -25.9648 -16.7707 -3.58399 -16.7706 25.2165 GPRESSAVG: 3363200 -1.16559 -31.0051 -3.25996 -32.9407 -28.1426 -18.222 -0.338296 -16.8206 25.5345 TIMING: 3363200 CPU: 10125.4, 0.00299814/step Wall: 10125.4, 0.00299814/step, 1.36316 hours remaining, 210.242188 MB of memory in use. ENERGY: 3363200 743.8728 2098.7190 1897.0416 102.3617 -206063.8376 17797.6745 0.0000 0.0000 34046.3217 -149377.8461 297.3350 -183424.1679 -149274.7718 298.3075 -64.9511 -33.6049 556909.5423 -1.1503 -1.2579 PRESSURE: 3363400 -14.0958 -45.8921 -18.2286 -45.8924 69.104 -57.2232 -18.2274 -57.2228 1.59747 GPRESSURE: 3363400 69.8251 19.7538 -67.574 -7.501 43.5013 -74.4293 33.6089 -122.193 38.6757 PRESSAVG: 3363400 8.98182 -68.6321 12.5684 -68.6322 30.2104 -9.37662 12.5684 -9.3766 -32.1164 GPRESSAVG: 3363400 7.739 -67.5283 12.7908 -68.7776 31.6378 -10.4813 10.3348 -8.64992 -32.1961 TIMING: 3363400 CPU: 10126, 0.00297503/step Wall: 10126, 0.00297503/step, 1.35248 hours remaining, 210.242188 MB of memory in use. ENERGY: 3363400 744.5863 2040.9471 1930.3236 104.2157 -206388.9807 17936.2363 0.0000 0.0000 34171.9078 -149460.7641 298.4318 -183632.6719 -149371.4447 298.6142 18.8686 50.6674 558224.1399 2.3586 2.3936 PRESSURE: 3363600 -332.813 -103.508 52.9339 -103.508 130.319 -318.164 52.9334 -318.167 -292.705 GPRESSURE: 3363600 -385.87 -69.7299 6.00015 -70.5345 234.407 -202.493 163.907 -287.746 -248.922 PRESSAVG: 3363600 3.65621 -43.7767 -0.55496 -43.7766 37.7164 -75.1572 -0.554947 -75.1572 -76.4317 GPRESSAVG: 3363600 4.01116 -43.5934 -0.222237 -44.0715 36.6764 -74.2183 0.147331 -75.9372 -75.2448 TIMING: 3363600 CPU: 10126.6, 0.00298967/step Wall: 10126.6, 0.00298967/step, 1.35897 hours remaining, 210.242188 MB of memory in use. ENERGY: 3363600 741.8562 2103.9923 1924.4170 110.1952 -206243.7563 17737.8164 0.0000 0.0000 34128.4738 -149497.0055 298.0525 -183625.4793 -149404.7191 298.1489 -165.0666 -133.4615 558296.9551 -11.6864 -11.5191 PRESSURE: 3363800 136.748 -59.3211 -18.9726 -59.3222 -30.7766 92.7556 -18.9725 92.7549 90.0383 GPRESSURE: 3363800 142.624 16.429 -29.2845 -92.4803 0.18627 52.103 65.6089 54.4037 166.589 PRESSAVG: 3363800 -82.4568 41.6644 -33.5939 41.6643 -2.10197 -0.787442 -33.5939 -0.78744 37.6941 GPRESSAVG: 3363800 -81.6663 40.3918 -33.0849 40.8568 -0.423233 0.87691 -32.3034 -0.941244 35.4817 TIMING: 3363800 CPU: 10127.2, 0.00299522/step Wall: 10127.2, 0.00299522/step, 1.36133 hours remaining, 210.242188 MB of memory in use. ENERGY: 3363800 713.8135 2086.2220 1918.5010 107.9525 -206447.0024 18058.8173 0.0000 0.0000 34379.9629 -149181.7333 300.2488 -183561.6962 -149089.6687 299.0440 65.3365 103.1333 559398.6850 -15.6216 -15.5359 PRESSURE: 3364000 55.7131 -54.8156 -24.1984 -54.8157 -100.109 102.847 -24.1973 102.847 128.708 GPRESSURE: 3364000 48.4452 -43.0889 -89.6224 -62.8286 -16.7608 -28.7156 -46.0131 153.398 148.984 PRESSAVG: 3364000 -22.9569 -22.6334 -22.4849 -22.6334 -43.1919 -14.5877 -22.4849 -14.5877 72.7125 GPRESSAVG: 3364000 -24.0721 -22.3684 -24.1854 -20.8901 -44.1324 -15.7112 -22.3982 -15.3214 74.5382 TIMING: 3364000 CPU: 10127.8, 0.00299232/step Wall: 10127.8, 0.00299232/step, 1.35984 hours remaining, 210.242188 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: 3364000 782.8511 2075.4990 1932.8957 112.4951 -206403.9111 18092.7429 0.0000 0.0000 34205.5695 -149201.8578 298.7257 -183407.4273 -149105.0234 299.4247 28.1038 60.2226 558762.4794 2.1879 2.1113 PRESSURE: 3364200 30.7791 87.0253 83.5707 87.0256 236.876 -263.932 83.5709 -263.931 342.665 GPRESSURE: 3364200 54.1386 130.671 -10.9913 52.814 260.066 -202.143 78.4471 -220.123 405.308 PRESSAVG: 3364200 -53.9638 -2.31927 -24.9085 -2.31925 -36.2761 21.5794 -24.9084 21.5795 29.0993 GPRESSAVG: 3364200 -54.2516 -2.69843 -24.804 -3.67449 -35.7298 21.8855 -26.4772 22.7017 29.0919 TIMING: 3364200 CPU: 10128.4, 0.00300625/step Wall: 10128.4, 0.00300625/step, 1.366 hours remaining, 210.242188 MB of memory in use. ENERGY: 3364200 708.0548 2027.8337 1924.5334 97.7293 -206642.4603 18331.5795 0.0000 0.0000 34316.8664 -149235.8631 299.6977 -183552.7295 -149140.3282 299.2434 203.4399 239.8375 558984.0286 -20.3802 -20.2965 LDB: ============= START OF LOAD BALANCING ============== 10131.9 LDB: ============== END OF LOAD BALANCING =============== 10131.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10131.9 LDB: ============= START OF LOAD BALANCING ============== 10132.2 LDB: Largest compute 4773 load 0.027291 is 23.1% of average load 0.118219 LDB: Average compute 0.001738 is 1.5% of average load 0.118219 LDB: TIME 10132.2 LOAD: AVG 0.118219 MAX 0.208402 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.555 MB LDB: TIME 10132.2 LOAD: AVG 0.118219 MAX 0.208402 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.555 MB LDB: TIME 10132.2 LOAD: AVG 0.118219 MAX 0.208402 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.555 MB LDB: ============== END OF LOAD BALANCING =============== 10132.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10132.2 PRESSURE: 3364400 53.7307 1.94551 -27.0061 1.94465 -179.419 92.183 -27.0071 92.1826 -201.793 GPRESSURE: 3364400 91.7588 -28.2962 -14.4285 72.4305 -146.374 135.646 -60.223 77.9268 -172.702 PRESSAVG: 3364400 -10.7714 -68.28 -20.8066 -68.2801 38.3603 -40.6056 -20.8066 -40.6056 -2.28636 GPRESSAVG: 3364400 -10.0462 -65.1875 -19.0926 -68.226 37.6923 -41.7093 -22.7441 -40.5145 -2.31252 TIMING: 3364400 CPU: 10129, 0.00304284/step Wall: 10129, 0.00304284/step, 1.38246 hours remaining, 208.484375 MB of memory in use. ENERGY: 3364400 760.7252 2029.4485 1919.0701 118.9505 -206024.9188 17669.3668 0.0000 0.0000 34364.0614 -149163.2964 300.1099 -183527.3578 -149068.2712 298.7498 -109.1605 -75.7723 558777.8167 8.4342 8.4445 PRESSURE: 3364600 -172.26 -25.6662 58.8389 -25.6668 146.61 24.0382 58.8391 24.04 -80.4186 GPRESSURE: 3364600 -115.021 -79.9127 165.673 13.5999 155.722 47.3453 67.3621 83.2146 -51.6152 PRESSAVG: 3364600 25.1185 -6.71831 -1.49737 -6.7182 58.8777 3.72579 -1.49738 3.72577 -66.9253 GPRESSAVG: 3364600 24.1429 -8.28857 -2.83913 -6.57577 60.5233 3.65005 1.66985 4.41567 -67.592 TIMING: 3364600 CPU: 10129.6, 0.00296885/step Wall: 10129.6, 0.00296885/step, 1.34868 hours remaining, 208.812500 MB of memory in use. ENERGY: 3364600 775.7309 2066.6053 1963.3300 114.9068 -206322.6761 17897.6486 0.0000 0.0000 34239.7610 -149264.6935 299.0243 -183504.4546 -149177.3096 299.5254 -35.3562 -3.6379 557373.6394 5.6903 5.6914 PRESSURE: 3364800 -91.3953 -48.8155 -6.58178 -48.8158 -71.7373 -84.6658 -6.58127 -84.665 82.1615 GPRESSURE: 3364800 -101.032 15.0667 26.6718 -65.0342 -30.1037 -137.736 2.54183 -67.6578 137.879 PRESSAVG: 3364800 -19.0123 46.9566 64.0664 46.9567 7.57639 -41.3242 64.0664 -41.3242 30.5823 GPRESSAVG: 3364800 -17.2368 45.6069 64.8613 47.4043 5.8236 -38.5429 62.888 -43.1865 29.7822 TIMING: 3364800 CPU: 10130.2, 0.00296319/step Wall: 10130.2, 0.00296319/step, 1.34595 hours remaining, 208.812500 MB of memory in use. ENERGY: 3364800 760.8416 2139.2414 1935.4618 104.6247 -206212.2643 17802.3374 0.0000 0.0000 34154.3825 -149315.3749 298.2787 -183469.7574 -149220.8218 299.2762 -26.9904 2.2477 557654.5538 6.3821 6.1230 PRESSURE: 3365000 -14.2652 17.3311 -154.246 17.3314 70.4474 226.751 -154.246 226.751 75.9338 GPRESSURE: 3365000 31.9174 14.5235 -73.0708 -1.93948 52.3571 166.242 -157.517 278.194 132.585 PRESSAVG: 3365000 -36.1247 3.64293 29.6922 3.64293 30.9207 31.3481 29.6922 31.3481 5.89767 GPRESSAVG: 3365000 -38.273 4.05119 28.5562 3.60466 31.9809 29.4614 31.6588 34.0716 6.91972 TIMING: 3365000 CPU: 10130.8, 0.0029835/step Wall: 10130.8, 0.0029835/step, 1.35501 hours remaining, 208.812500 MB of memory in use. ENERGY: 3365000 747.0636 2080.4168 1948.3724 110.2751 -206322.4087 17956.6141 0.0000 0.0000 34126.1788 -149353.4879 298.0324 -183479.6667 -149253.5136 298.8820 44.0387 72.2863 557499.1320 0.2312 0.2092 PRESSURE: 3365200 47.167 -97.8516 144.312 -97.8496 -25.0313 71.258 144.311 71.2569 33.7677 GPRESSURE: 3365200 46.3829 -60.1647 129.082 -108.72 38.8017 8.55858 109.405 94.0486 49.6178 PRESSAVG: 3365200 4.01043 -72.4804 55.6847 -72.4804 52.845 8.1305 55.6847 8.1305 -14.4502 GPRESSAVG: 3365200 4.03286 -72.6615 55.7532 -72.3467 53.7258 7.92701 53.386 8.54509 -15.1841 TIMING: 3365200 CPU: 10131.3, 0.00298313/step Wall: 10131.3, 0.00298313/step, 1.35467 hours remaining, 208.812500 MB of memory in use. ENERGY: 3365200 744.7147 2068.3357 1922.1039 104.0527 -206686.8169 18167.4386 0.0000 0.0000 34270.7136 -149409.4576 299.2947 -183680.1713 -149308.7198 298.4976 18.6345 44.9341 558169.5300 14.1351 14.1915 PRESSURE: 3365400 16.0955 -48.7582 -37.5861 -48.758 -170.591 181.456 -37.586 181.457 90.4566 GPRESSURE: 3365400 92.9986 -0.922792 34.163 -45.9757 -153.599 198.298 -60.769 150.628 100.137 PRESSAVG: 3365400 78.7484 27.2632 38.6254 27.2633 -59.5774 24.5671 38.6253 24.5671 -22.0897 GPRESSAVG: 3365400 80.5469 28.3166 40.2233 25.9344 -61.485 24.3259 39.6149 22.1378 -21.9709 TIMING: 3365400 CPU: 10132, 0.00300205/step Wall: 10132, 0.00300205/step, 1.3631 hours remaining, 208.812500 MB of memory in use. ENERGY: 3365400 768.4427 2108.3440 1931.5558 116.1897 -206226.2690 17835.5138 0.0000 0.0000 34368.8318 -149097.3912 300.1516 -183466.2230 -149001.2046 299.7871 -21.3465 13.1790 558909.4116 -0.9729 -0.9697 PRESSURE: 3365600 -32.2522 -11.4774 -51.2019 -11.4779 62.4437 -141.937 -51.2026 -141.938 -75.4164 GPRESSURE: 3365600 -11.6782 -63.0685 -134.366 -67.9068 83.7967 -89.4104 -67.6372 -206.709 -8.16861 PRESSAVG: 3365600 0.377675 -12.8651 48.9159 -12.865 2.74262 37.7331 48.916 37.7331 -6.44269 GPRESSAVG: 3365600 -0.994956 -15.1383 48.0951 -11.717 3.69806 39.3003 47.6624 37.9124 -6.57307 TIMING: 3365600 CPU: 10132.6, 0.00302751/step Wall: 10132.6, 0.00302751/step, 1.37449 hours remaining, 208.812500 MB of memory in use. ENERGY: 3365600 744.9521 2061.2723 1929.5645 108.2476 -206231.3583 17845.8136 0.0000 0.0000 34231.2715 -149310.2368 298.9502 -183541.5083 -149209.9106 299.7780 -15.0750 21.3166 558259.5409 -1.1075 -1.2900 PRESSURE: 3365800 107.828 39.0937 -1.49093 39.0937 11.4798 -84.5238 -1.49201 -84.5241 -84.2756 GPRESSURE: 3365800 183.873 71.5681 98.8115 13.1574 51.6008 -90.8191 -103.504 -70.316 -96.6943 PRESSAVG: 3365800 -19.7694 31.9433 76.207 31.9433 29.2662 -11.1306 76.207 -11.1305 -32.5132 GPRESSAVG: 3365800 -19.8542 32.1193 75.7897 32.3697 29.0128 -15.2913 77.2876 -10.6288 -32.2867 TIMING: 3365800 CPU: 10133.2, 0.00304657/step Wall: 10133.2, 0.00304657/step, 1.38297 hours remaining, 208.812500 MB of memory in use. ENERGY: 3365800 723.5321 2129.5095 1939.7507 111.2293 -206751.5334 18150.5006 0.0000 0.0000 34301.8206 -149395.1906 299.5663 -183697.0113 -149295.4640 298.8676 11.6775 46.2598 558152.7567 -7.6721 -7.7094 PRESSURE: 3366000 -171.078 -59.0706 123.305 -59.0708 98.6592 98.0364 123.305 98.0344 -32.1483 GPRESSURE: 3366000 -79.2253 -51.6117 25.3781 -22.3306 118.307 92.0258 210.535 95.8989 -44.4957 PRESSAVG: 3366000 41.7751 40.1085 -0.693553 40.1086 -1.59527 -11.7713 -0.693482 -11.7714 -11.5728 GPRESSAVG: 3366000 43.1449 41.0462 1.18181 39.0841 -2.15726 -7.45316 -1.5721 -11.53 -12.1226 TIMING: 3366000 CPU: 10133.8, 0.0030296/step Wall: 10133.8, 0.0030296/step, 1.3751 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: 3366000 749.5269 2085.9762 1917.4576 130.0865 -206221.0569 17753.0013 0.0000 0.0000 34135.1733 -149449.8351 298.1110 -183585.0084 -149359.4778 298.3603 -34.8558 -1.8045 557095.9808 9.5357 9.6217 PRESSURE: 3366200 -108.295 -134.612 -76.0498 -134.613 66.6762 23.6739 -76.0496 23.6742 -40.8885 GPRESSURE: 3366200 -107.648 -169.87 -100.312 -121.057 51.8618 59.7257 -39.7798 -6.26742 74.1988 PRESSAVG: 3366200 63.2058 68.5575 32.6285 68.5575 -12.9524 9.39944 32.6285 9.39943 -32.7468 GPRESSAVG: 3366200 62.1663 67.7804 33.0556 69.2325 -13.3183 7.39674 32.8251 9.35968 -31.1532 TIMING: 3366200 CPU: 10134.4, 0.00300937/step Wall: 10134.4, 0.00300937/step, 1.36575 hours remaining, 208.812500 MB of memory in use. ENERGY: 3366200 737.4777 2001.4544 1945.3112 126.0253 -206185.2858 17762.3359 0.0000 0.0000 34311.9018 -149300.7795 299.6544 -183612.6814 -149204.2692 298.8084 -27.5026 6.1375 557213.1155 5.8355 5.8983 PRESSURE: 3366400 -170.836 92.8949 95.8506 92.8931 -254.482 -41.9884 95.8496 -41.9895 38.492 GPRESSURE: 3366400 -131.636 222.429 86.1694 121.37 -248.027 37.7881 57.5666 -15.5472 95.1757 PRESSAVG: 3366400 77.6644 37.7545 -17.767 37.7545 -23.3423 52.9266 -17.7671 52.9266 -26.0957 GPRESSAVG: 3366400 77.5669 40.4564 -17.2447 37.9715 -22.153 51.4642 -18.8331 52.9614 -26.8328 TIMING: 3366400 CPU: 10135, 0.00300179/step Wall: 10135, 0.00300179/step, 1.36215 hours remaining, 208.812500 MB of memory in use. ENERGY: 3366400 757.2846 2078.6597 1927.9376 102.7826 -206099.7533 17672.2734 0.0000 0.0000 34193.9468 -149366.8687 298.6242 -183560.8154 -149268.3588 298.8304 -128.9422 -94.8292 557344.7195 9.4088 9.5271 PRESSURE: 3366600 122.6 -156.952 97.6697 -156.952 203.962 -96.103 97.6698 -96.1021 260.185 GPRESSURE: 3366600 214.685 -170.74 169.249 -158.12 197.026 -32.6074 63.9418 -196.315 286.117 PRESSAVG: 3366600 -1.42037 -31.8704 16.9764 -31.8703 -6.32877 -53.7198 16.9764 -53.7199 5.25633 GPRESSAVG: 3366600 -0.590839 -33.1131 14.8036 -30.9128 -6.51644 -53.1121 18.6889 -54.5819 4.66961 TIMING: 3366600 CPU: 10135.6, 0.00297466/step Wall: 10135.6, 0.00297466/step, 1.34967 hours remaining, 208.812500 MB of memory in use. ENERGY: 3366600 748.1116 2098.2221 1925.8652 118.3505 -206632.3668 18270.1940 0.0000 0.0000 34287.8720 -149183.7513 299.4445 -183471.6233 -149089.1547 298.7770 195.5823 232.6094 555107.7017 -0.8309 -0.8126 PRESSURE: 3366800 -129.339 48.4205 163.688 48.4209 -138.918 17.6152 163.688 17.615 -107.669 GPRESSURE: 3366800 -79.6402 77.1776 85.216 41.4249 -118.509 33.6987 152.488 19.1286 -91.8781 PRESSAVG: 3366800 -90.431 1.42483 47.4039 1.42479 13.6647 -6.84864 47.404 -6.84875 84.0949 GPRESSAVG: 3366800 -91.1224 0.593976 47.3431 -0.235721 13.2667 -5.62488 48.3726 -3.63409 85.0315 TIMING: 3366800 CPU: 10136.2, 0.00298344/step Wall: 10136.2, 0.00298344/step, 1.35349 hours remaining, 208.812500 MB of memory in use. ENERGY: 3366800 712.8590 2102.1856 1940.2260 111.6792 -206107.0821 17528.4138 0.0000 0.0000 34394.8642 -149316.8543 300.3789 -183711.7185 -149213.7513 299.3965 -125.3083 -96.6756 557345.7093 2.4429 2.3919 PRESSURE: 3367000 43.7518 -155.876 -49.2229 -155.876 -9.27195 50.4327 -49.2235 50.4325 18.848 GPRESSURE: 3367000 86.8335 -213.213 -55.5141 -114.251 15.0599 -14.3922 -93.013 13.3242 46.3826 PRESSAVG: 3367000 -25.5376 -18.0268 15.1472 -18.0267 -37.496 -30.868 15.1472 -30.8679 -0.144065 GPRESSAVG: 3367000 -25.9819 -16.8379 15.6951 -15.7238 -36.3938 -30.0752 13.1827 -34.087 -0.273336 TIMING: 3367000 CPU: 10136.8, 0.0030105/step Wall: 10136.8, 0.0030105/step, 1.3656 hours remaining, 208.812500 MB of memory in use. ENERGY: 3367000 757.1367 2121.2344 1944.4150 115.4035 -206471.7566 17780.7442 0.0000 0.0000 34437.6686 -149315.1543 300.7527 -183752.8229 -149222.0064 299.4505 17.7759 49.4253 556324.8562 -21.0592 -20.8830 PRESSURE: 3367200 43.3267 0.911227 50.8475 0.912575 -112.577 -180.807 50.847 -180.808 73.3099 GPRESSURE: 3367200 104.584 5.21714 53.896 88.9396 -90.7504 -167.238 86.4199 -213.375 92.5606 PRESSAVG: 3367200 4.16335 24.1017 -27.8654 24.1017 2.82212 40.9631 -27.8654 40.9631 -36.5512 GPRESSAVG: 3367200 4.46892 22.6189 -29.9838 23.9354 2.38145 40.4678 -25.1805 40.2927 -36.6682 TIMING: 3367200 CPU: 10137.4, 0.00302709/step Wall: 10137.4, 0.00302709/step, 1.37295 hours remaining, 208.812500 MB of memory in use. ENERGY: 3367200 747.7345 2019.6644 1942.5201 125.4609 -206250.6459 17904.4244 0.0000 0.0000 34166.1484 -149344.6933 298.3815 -183510.8417 -149245.7762 299.2309 1.3531 35.4647 557058.4114 -9.8552 -9.9393 PRESSURE: 3367400 -52.2319 -196.92 -38.9889 -196.921 -186.579 -122.283 -38.9883 -122.282 -397.361 GPRESSURE: 3367400 -12.2757 -263.583 -76.3111 -234.995 -136.637 -46.3057 -34.4051 -132.261 -384.784 PRESSAVG: 3367400 38.1061 60.6785 23.341 60.6785 -34.5662 -47.9535 23.3411 -47.9534 41.8983 GPRESSAVG: 3367400 39.652 62.0085 26.2 59.6533 -35.5103 -47.8025 21.26 -46.5895 40.778 TIMING: 3367400 CPU: 10138, 0.00301278/step Wall: 10138, 0.00301278/step, 1.3663 hours remaining, 208.812500 MB of memory in use. ENERGY: 3367400 770.0754 2112.1583 1912.1651 107.2320 -206268.1960 17686.4488 0.0000 0.0000 34088.3824 -149591.7340 297.7023 -183680.1164 -149494.6874 298.2365 -212.0573 -177.8990 557262.1923 15.1460 14.9732 PRESSURE: 3367600 179.841 -13.6466 -63.1086 -13.6463 -108.163 -99.0272 -63.1083 -99.0271 -61.9631 GPRESSURE: 3367600 245.102 -22.4024 -49.2626 1.39617 -94.3699 -109.161 -58.044 -83.3124 -45.1154 PRESSAVG: 3367600 -37.6458 48.9909 -6.26846 48.9909 108.917 35.9435 -6.26855 35.9434 -11.5232 GPRESSAVG: 3367600 -39.6774 49.0555 -9.28411 48.2602 109.677 37.5646 -4.48573 33.4294 -10.5578 TIMING: 3367600 CPU: 10138.6, 0.00304397/step Wall: 10138.6, 0.00304397/step, 1.38027 hours remaining, 208.812500 MB of memory in use. ENERGY: 3367600 726.8583 2069.5476 1919.7697 115.3218 -206258.6165 17819.1851 0.0000 0.0000 34301.6607 -149306.2733 299.5649 -183607.9339 -149207.7255 298.1886 3.2382 35.2055 557452.6657 19.9161 19.8141 PRESSURE: 3367800 63.006 -168.864 41.1794 -168.865 -246.188 91.0065 41.1779 91.0061 -76.8371 GPRESSURE: 3367800 110.336 -143.739 85.1051 -159.227 -229.596 39.2944 -103.586 37.8631 -35.5838 PRESSAVG: 3367800 76.7376 -7.73858 -32.2965 -7.73853 -43.9834 -9.44737 -32.2966 -9.44734 -11.5056 GPRESSAVG: 3367800 76.4599 -8.74757 -28.3578 -6.46819 -43.5093 -11.9296 -35.5863 -8.89272 -11.3413 TIMING: 3367800 CPU: 10139.2, 0.00306197/step Wall: 10139.2, 0.00306197/step, 1.38826 hours remaining, 208.812500 MB of memory in use. ENERGY: 3367800 759.2298 2120.5585 1936.9247 112.1466 -206118.6467 17673.7975 0.0000 0.0000 34211.9208 -149304.0689 298.7812 -183515.9897 -149205.0037 298.7490 -86.6730 -51.6148 558521.0754 7.0829 7.2031 PRESSURE: 3368000 -39.6548 -80.5482 70.2051 -80.5483 254.701 47.8302 70.2054 47.8298 318.492 GPRESSURE: 3368000 -40.5501 -70.1056 96.5924 -88.4753 286.741 32.7175 47.7063 68.1074 385.368 PRESSAVG: 3368000 17.0634 48.8225 20.4156 48.8225 -43.1997 0.709984 20.4156 0.710082 44.0227 GPRESSAVG: 3368000 17.0714 47.9863 20.9058 48.6978 -43.8202 1.95124 20.9336 0.427973 44.5584 TIMING: 3368000 CPU: 10139.8, 0.00299353/step Wall: 10139.8, 0.00299353/step, 1.35707 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: 3368000 760.2078 2074.2385 1911.1364 114.1412 -206633.2157 18049.7791 0.0000 0.0000 34333.0647 -149390.6480 299.8392 -183723.7127 -149300.5043 299.2045 177.8461 210.5193 556566.8875 5.9621 5.9365 PRESSURE: 3368200 -142.25 -14.9866 -53.52 -14.9862 -166.871 -0.369983 -53.5196 -0.369779 -5.10669 GPRESSURE: 3368200 -59.1849 73.0059 33.4523 -23.761 -156.954 -27.7774 -67.3228 17.5369 12.403 PRESSAVG: 3368200 31.8211 -21.1361 -5.34919 -21.1362 -46.2206 19.265 -5.3491 19.265 -29.7578 GPRESSAVG: 3368200 31.604 -20.026 -8.4111 -21.2574 -45.5517 18.4475 -4.25526 22.0537 -29.6874 TIMING: 3368200 CPU: 10140.4, 0.00296386/step Wall: 10140.4, 0.00296386/step, 1.34345 hours remaining, 208.812500 MB of memory in use. ENERGY: 3368200 744.9471 2064.8828 1944.1497 111.8090 -205856.5684 17637.2596 0.0000 0.0000 33976.1047 -149377.4154 296.7218 -183353.5201 -149277.0004 298.0015 -104.7425 -67.9119 556278.9294 -14.7191 -14.5450 LDB: ============= START OF LOAD BALANCING ============== 10143.9 LDB: ============== END OF LOAD BALANCING =============== 10143.9 LDB: =============== DONE WITH MIGRATION ================ 10143.9 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 10144.2 LDB: Largest compute 4773 load 0.028845 is 24.4% of average load 0.118098 LDB: Average compute 0.001739 is 1.5% of average load 0.118098 LDB: TIME 10144.2 LOAD: AVG 0.118098 MAX 0.206637 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.836 MB LDB: TIME 10144.2 LOAD: AVG 0.118098 MAX 0.206637 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.039 MB LDB: TIME 10144.2 LOAD: AVG 0.118098 MAX 0.206637 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.039 MB LDB: ============== END OF LOAD BALANCING =============== 10144.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10144.2 PRESSURE: 3368400 60.3637 -29.6232 -91.2543 -29.6235 -88.1157 -23.6629 -91.2524 -23.6635 -154.109 GPRESSURE: 3368400 123.905 -88.9229 -147.791 -28.4103 -70.6395 -28.2774 -97.4923 -10.2107 -149.927 PRESSAVG: 3368400 14.2342 5.24574 -31.2885 5.24568 -17.0448 -58.6899 -31.2884 -58.69 44.2687 GPRESSAVG: 3368400 14.2756 4.89255 -28.5535 5.7138 -16.7373 -57.341 -32.2891 -61.2096 43.4868 TIMING: 3368400 CPU: 10141, 0.00305751/step Wall: 10141, 0.00305751/step, 1.38573 hours remaining, 207.714844 MB of memory in use. ENERGY: 3368400 721.0157 2106.1762 1925.0026 109.7519 -206399.7806 17778.2384 0.0000 0.0000 34291.4946 -149468.1012 299.4762 -183759.5958 -149372.7575 298.8074 -60.6203 -32.2206 556687.0773 13.8194 13.6750 PRESSURE: 3368600 -94.7265 -233.808 216.025 -233.808 -221.68 -25.8282 216.023 -25.828 202.545 GPRESSURE: 3368600 -51.4062 -166.674 288.459 -276.989 -147.245 -13.5335 89.5502 -53.2841 192.593 PRESSAVG: 3368600 53.1506 -40.0361 -8.89891 -40.0361 -24.703 17.3101 -8.89897 17.3101 -38.5849 GPRESSAVG: 3368600 53.2364 -40.3026 -7.40163 -39.9951 -25.3496 16.1488 -8.55396 18.9149 -38.247 TIMING: 3368600 CPU: 10141.6, 0.00300836/step Wall: 10141.6, 0.00300836/step, 1.36329 hours remaining, 207.917969 MB of memory in use. ENERGY: 3368600 705.6649 2044.3529 1957.1345 115.6186 -206415.6419 17858.2144 0.0000 0.0000 34117.8191 -149616.8375 297.9594 -183734.6566 -149519.0824 298.6841 -37.9536 -2.0194 558350.8110 -3.3791 -3.4534 PRESSURE: 3368800 182.067 97.2145 -1.5701 97.2149 -61.0669 23.7419 -1.57094 23.7423 -369.152 GPRESSURE: 3368800 192.06 -2.59493 91.4031 161.217 -15.1369 57.7478 -104.371 75.4742 -328.328 PRESSAVG: 3368800 60.2466 16.3149 50.1936 16.315 -12.1766 -5.20286 50.1936 -5.20282 -11.9282 GPRESSAVG: 3368800 61.3702 15.5023 48.0377 15.4807 -11.8751 -4.61376 49.9568 -6.88655 -12.9355 TIMING: 3368800 CPU: 10142.2, 0.00300143/step Wall: 10142.2, 0.00300143/step, 1.35998 hours remaining, 207.917969 MB of memory in use. ENERGY: 3368800 764.7879 2066.2436 1935.1390 109.7323 -206533.3442 17987.1286 0.0000 0.0000 33968.0594 -149702.2534 296.6515 -183670.3128 -149605.3777 298.6140 -82.7171 -50.4685 557724.7361 12.0472 12.1865 PRESSURE: 3369000 -98.6227 52.0261 -92.8757 52.0258 -103.892 64.869 -92.8751 64.8689 -97.7614 GPRESSURE: 3369000 -56.0798 72.3665 -30.8962 -22.931 -58.673 69.9282 -34.6041 -69.1432 -75.1459 PRESSAVG: 3369000 28.6788 15.1382 4.26415 15.1381 -54.1094 -67.1575 4.26417 -67.1574 -1.07352 GPRESSAVG: 3369000 27.9906 16.0601 5.31098 14.0512 -54.7109 -68.5711 7.33591 -66.1742 0.279709 TIMING: 3369000 CPU: 10142.8, 0.00299294/step Wall: 10142.8, 0.00299294/step, 1.35597 hours remaining, 207.917969 MB of memory in use. ENERGY: 3369000 738.3552 2118.6381 1922.8872 108.6370 -206568.1865 17824.5820 0.0000 0.0000 34176.6873 -149678.3998 298.4735 -183855.0871 -149577.3601 297.4912 -100.0919 -63.2996 556857.1981 -8.8347 -8.8135 PRESSURE: 3369200 -104.728 -29.2466 47.1447 -29.2473 -113.472 125.859 47.1446 125.859 -94.687 GPRESSURE: 3369200 -57.9021 -57.4101 9.85245 -23.7674 -63.9648 120.933 18.5301 190.918 -84.2391 PRESSAVG: 3369200 -0.0520728 6.9311 -1.38889 6.93119 -21.9533 2.91405 -1.38888 2.91403 -16.0641 GPRESSAVG: 3369200 0.972971 7.63179 -4.47705 8.22525 -22.2452 2.73633 -2.88271 3.24907 -16.6316 TIMING: 3369200 CPU: 10143.4, 0.00298253/step Wall: 10143.4, 0.00298253/step, 1.35109 hours remaining, 207.917969 MB of memory in use. ENERGY: 3369200 752.2151 2134.4442 1918.0428 121.3314 -206045.6700 17614.2001 0.0000 0.0000 33812.0601 -149693.3763 295.2891 -183505.4364 -149599.5049 297.9778 -104.2957 -68.7020 557717.8289 -12.6898 -12.6346 PRESSURE: 3369400 -110.392 133.026 -99.4699 133.025 -31.3094 -30.9841 -99.471 -30.9833 -229.311 GPRESSURE: 3369400 -60.4205 141.476 -69.9639 136.267 -14.0456 -121.383 -91.7909 -36.6066 -194.265 PRESSAVG: 3369400 -8.42944 14.2894 -0.968784 14.2895 -19.2896 20.1569 -0.968856 20.1571 9.68114 GPRESSAVG: 3369400 -9.73291 13.3987 0.898483 12.9037 -18.1592 22.4951 -0.426538 18.6545 9.89705 TIMING: 3369400 CPU: 10144, 0.00298637/step Wall: 10144, 0.00298637/step, 1.35266 hours remaining, 207.917969 MB of memory in use. ENERGY: 3369400 807.0797 2071.4678 1920.6294 124.4329 -206632.8219 17904.2759 0.0000 0.0000 34079.8118 -149725.1243 297.6275 -183804.9361 -149629.7585 297.8835 -123.6706 -89.5772 556092.1586 -6.0126 -5.9984 PRESSURE: 3369600 192.757 3.79041 206.786 3.79053 21.2748 74.3046 206.786 74.3029 -2.62154 GPRESSURE: 3369600 166.314 -17.625 292.425 74.5247 61.3669 91.4918 204.772 116.535 80.6474 PRESSAVG: 3369600 0.853834 19.4334 1.79996 19.4334 -16.0196 44.4788 1.79992 44.4788 -3.0662 GPRESSAVG: 3369600 0.901357 20.9141 2.03309 19.1682 -17.4416 43.6652 0.096923 44.8219 -1.91536 TIMING: 3369600 CPU: 10144.6, 0.00299542/step Wall: 10144.6, 0.00299542/step, 1.35659 hours remaining, 207.917969 MB of memory in use. ENERGY: 3369600 744.6485 2068.9942 1968.2529 103.9710 -206580.2725 17785.3421 0.0000 0.0000 34205.9728 -149703.0910 298.7293 -183909.0638 -149600.1556 297.9388 70.4700 102.7760 554219.9271 -6.0773 -6.1519 PRESSURE: 3369800 -225.155 119.051 -33.4184 119.051 -5.32501 9.08738 -33.4183 9.08809 90.127 GPRESSURE: 3369800 -199.449 50.4961 23.9049 176.411 -3.74225 71.4245 -33.3884 27.2258 161.919 PRESSAVG: 3369800 2.74208 29.4111 42.5047 29.4111 -9.53531 46.4837 42.5047 46.4838 30.1661 GPRESSAVG: 3369800 2.05966 25.9274 42.4239 33.7346 -8.93367 47.06 44.1917 46.3314 29.7027 TIMING: 3369800 CPU: 10145.2, 0.00297199/step Wall: 10145.2, 0.00297199/step, 1.34582 hours remaining, 207.917969 MB of memory in use. ENERGY: 3369800 769.2763 2132.7849 1946.8362 109.2385 -206536.8848 17783.4768 0.0000 0.0000 33981.9695 -149813.3026 296.7730 -183795.2721 -149719.8096 297.4393 -46.7845 -13.7572 556648.0752 7.7910 7.6096 PRESSURE: 3370000 -77.0333 41.779 -53.5934 41.7792 83.6025 31.3495 -53.5923 31.348 -140.86 GPRESSURE: 3370000 -44.7953 81.8497 -30.8182 58.0581 124.242 87.0466 -96.7626 3.34417 -109.673 PRESSAVG: 3370000 -73.0771 31.0316 2.26149 31.0316 23.4136 -17.2185 2.26153 -17.2186 34.219 GPRESSAVG: 3370000 -71.2424 32.3678 0.908562 27.4523 23.0249 -18.8554 2.05179 -16.0937 32.668 TIMING: 3370000 CPU: 10145.8, 0.00296985/step Wall: 10145.8, 0.00296985/step, 1.34468 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: 3370000 746.9401 2124.3763 1945.1682 104.5093 -206651.1934 17853.4732 0.0000 0.0000 34084.3522 -149792.3742 297.6671 -183876.7263 -149700.7912 297.9980 -44.7635 -10.0756 556637.4663 -5.1482 -5.1832 PRESSURE: 3370200 25.4329 193.833 -1.3414 193.833 49.29 24.5771 -1.34086 24.5775 128.16 GPRESSURE: 3370200 61.0439 184.795 33.9711 131.364 67.9189 -3.83972 52.6752 119.688 167.898 PRESSAVG: 3370200 -15.6472 -17.1251 -14.9228 -17.1251 10.7496 30.2353 -14.9228 30.2353 11.5096 GPRESSAVG: 3370200 -16.4336 -15.8811 -12.7118 -17.6183 11.2267 31.596 -15.5934 29.3013 11.6393 TIMING: 3370200 CPU: 10146.4, 0.00297287/step Wall: 10146.4, 0.00297287/step, 1.34588 hours remaining, 207.917969 MB of memory in use. ENERGY: 3370200 729.6747 2093.1574 1928.4357 112.4068 -206488.9633 17859.6368 0.0000 0.0000 34097.9661 -149667.6858 297.7860 -183765.6519 -149577.3350 298.2245 67.6278 98.9536 557426.7323 2.2040 2.1442 PRESSURE: 3370400 -328.881 164.561 80.4042 164.559 81.5828 140.632 80.4051 140.632 -99.1472 GPRESSURE: 3370400 -297.743 149.404 143.433 217.599 71.0981 176.216 -0.737647 119.889 -24.5105 PRESSAVG: 3370400 -48.3323 18.4724 -15.2428 18.4724 -1.59472 -18.9748 -15.2428 -18.9748 59.2277 GPRESSAVG: 3370400 -50.2006 17.8967 -16.3558 20.6664 -1.22339 -19.6474 -14.8266 -17.1339 60.1499 TIMING: 3370400 CPU: 10147, 0.00298091/step Wall: 10147, 0.00298091/step, 1.34936 hours remaining, 207.917969 MB of memory in use. ENERGY: 3370400 764.6598 2103.5619 1938.4246 122.1788 -206736.4470 17918.9005 0.0000 0.0000 34145.2147 -149743.5066 298.1987 -183888.7213 -149645.8073 298.4438 -115.4818 -83.7183 557398.8361 3.1002 2.9086 PRESSURE: 3370600 86.805 192.206 -91.6476 192.206 9.5034 129.262 -91.6477 129.263 234.354 GPRESSURE: 3370600 123.864 182.105 -170.651 241.236 51.5212 86.6457 -74.6031 91.2608 248.624 PRESSAVG: 3370600 -39.2379 13.196 -41.182 13.1961 62.6936 -99.8143 -41.182 -99.8142 -25.7243 GPRESSAVG: 3370600 -38.042 13.4512 -39.9294 11.0245 62.2558 -100.578 -42.7119 -99.9772 -26.8502 TIMING: 3370600 CPU: 10147.6, 0.00299771/step Wall: 10147.6, 0.00299771/step, 1.35679 hours remaining, 207.917969 MB of memory in use. ENERGY: 3370600 736.9779 2062.5264 1922.5032 99.3920 -206829.6529 17973.6950 0.0000 0.0000 34158.3935 -149876.1649 298.3137 -184034.5585 -149777.7068 297.6587 110.2209 141.3365 555438.8711 -0.7562 -0.8788 PRESSURE: 3370800 174.469 -174.435 40.2525 -174.435 -150.557 3.415 40.2517 3.41407 146.433 GPRESSURE: 3370800 187.271 -145.032 45.9733 -216.582 -142.9 -43.2449 -8.26321 -21.9115 229.979 PRESSAVG: 3370800 12.7123 2.89652 -8.98192 2.89653 -15.6947 5.37203 -8.98196 5.37206 -8.36429 GPRESSAVG: 3370800 11.4035 4.5546 -9.75398 2.57773 -15.9191 7.53523 -7.37118 3.8249 -6.70792 TIMING: 3370800 CPU: 10148.2, 0.00299677/step Wall: 10148.2, 0.00299677/step, 1.3562 hours remaining, 207.917969 MB of memory in use. ENERGY: 3370800 745.9695 2119.5550 1970.5829 113.2258 -206448.4388 17725.4487 0.0000 0.0000 34021.6311 -149752.0257 297.1194 -183773.6569 -149668.9407 297.6458 56.7818 91.4500 555607.0894 -3.7822 -3.7412 PRESSURE: 3371000 127.408 89.189 -88.2945 89.1893 -24.2776 62.4835 -88.2947 62.484 158.605 GPRESSURE: 3371000 169.888 68.1542 -0.715876 13.647 -23.167 27.955 -149.053 38.1968 210.868 PRESSAVG: 3371000 14.4723 15.4191 -31.9698 15.4191 -11.7747 -39.0447 -31.9698 -39.0447 26.2353 GPRESSAVG: 3371000 14.3786 12.6639 -32.3315 15.368 -11.2104 -39.4956 -30.5528 -37.4605 25.5187 TIMING: 3371000 CPU: 10148.8, 0.00301131/step Wall: 10148.8, 0.00301131/step, 1.36262 hours remaining, 207.917969 MB of memory in use. ENERGY: 3371000 752.4438 2085.3388 1938.2429 109.9520 -206786.3805 18099.8603 0.0000 0.0000 34167.2801 -149633.2627 298.3914 -183800.5428 -149537.8624 297.2640 87.2450 119.1962 556819.5092 9.6443 9.5623 PRESSURE: 3371200 -165.462 -64.6991 -166.472 -64.6988 -144.242 86.927 -166.472 86.9278 -94.5975 GPRESSURE: 3371200 -130.059 -0.779445 -173.455 -168.264 -79.4256 113.201 -103.935 67.7284 -112.958 PRESSAVG: 3371200 -2.3463 10.1927 -59.158 10.1927 -53.1352 41.4335 -59.1581 41.4336 38.5578 GPRESSAVG: 3371200 -2.40353 11.385 -59.0356 10.4473 -53.4486 41.9218 -59.4015 42.4408 39.023 TIMING: 3371200 CPU: 10149.4, 0.0030159/step Wall: 10149.4, 0.0030159/step, 1.36453 hours remaining, 207.917969 MB of memory in use. ENERGY: 3371200 722.9607 2106.6260 1954.6841 109.0828 -206343.6167 17851.1434 0.0000 0.0000 34037.8287 -149561.2910 297.2608 -183599.1197 -149467.4856 297.9379 -134.7674 -107.4811 557425.0064 -5.6412 -5.6097 PRESSURE: 3371400 -212.689 -68.2316 -23.755 -68.2314 -435.944 35.2075 -23.7551 35.2087 -417.141 GPRESSURE: 3371400 -189.237 40.3972 -166.927 -83.0221 -412.225 93.8301 -27.2146 62.4376 -375.566 PRESSAVG: 3371400 -42.2578 -20.5196 -9.32275 -20.5194 32.0361 41.3738 -9.3227 41.3738 -4.94003 GPRESSAVG: 3371400 -41.6584 -20.1446 -8.33212 -20.3954 32.1881 42.6779 -10.0843 39.2146 -5.6377 TIMING: 3371400 CPU: 10150, 0.00301717/step Wall: 10150, 0.00301717/step, 1.36494 hours remaining, 207.917969 MB of memory in use. ENERGY: 3371400 807.2461 2116.2992 1946.2032 128.9245 -206140.1140 17448.3049 0.0000 0.0000 34082.5953 -149610.5409 297.6518 -183693.1362 -149518.1391 298.5625 -355.2581 -325.6762 558074.6916 -5.0539 -5.0360 PRESSURE: 3371600 -299.703 -73.1688 100.624 -73.1684 130.524 5.82771 100.622 5.82802 22.3599 GPRESSURE: 3371600 -260.504 -99.7466 82.5145 -23.643 196.951 -74.2427 68.8759 25.5055 -8.22066 PRESSAVG: 3371600 -2.49525 -26.832 31.1482 -26.8319 8.9264 31.1618 31.1483 31.1618 11.8825 GPRESSAVG: 3371600 -1.89718 -26.6763 32.7091 -27.8804 8.82622 30.7909 31.1052 32.1644 11.049 TIMING: 3371600 CPU: 10150.6, 0.00302243/step Wall: 10150.6, 0.00302243/step, 1.36715 hours remaining, 207.917969 MB of memory in use. ENERGY: 3371600 770.8528 2089.2665 1949.4048 108.1913 -206327.8927 17707.1886 0.0000 0.0000 34104.7727 -149598.2160 297.8455 -183702.9887 -149504.5083 298.4985 -48.9396 -23.9246 555306.1703 6.1046 5.9927 PRESSURE: 3371800 54.2459 -199.268 -174.828 -199.266 -160.469 28.512 -174.827 28.512 116.567 GPRESSURE: 3371800 -1.95067 -157.973 -91.7502 -202.282 -103.234 66.9741 -198.822 6.82598 213.251 PRESSAVG: 3371800 -56.2117 -87.6432 55.9998 -87.6433 -14.0507 -49.0095 55.9999 -49.0093 26.4391 GPRESSAVG: 3371800 -57.2001 -88.7905 55.2985 -85.4648 -13.1087 -50.5872 54.4705 -49.2951 26.9394 TIMING: 3371800 CPU: 10151.2, 0.00299334/step Wall: 10151.2, 0.00299334/step, 1.35382 hours remaining, 207.917969 MB of memory in use. ENERGY: 3371800 761.6173 2071.1389 1972.8632 105.4656 -206380.3689 17902.4358 0.0000 0.0000 34201.0425 -149365.8055 298.6862 -183566.8480 -149266.9621 298.9910 3.4480 36.0222 557753.7213 -14.6078 -14.4565 PRESSURE: 3372000 33.5142 11.8881 56.9721 11.8898 -138.422 -152.104 56.9702 -152.105 -43.5157 GPRESSURE: 3372000 74.0264 -40.3444 27.1502 92.709 -135.687 -192.043 76.8006 -204.088 -4.34012 PRESSAVG: 3372000 -28.6771 10.8368 -20.1023 10.8369 14.7517 -19.6197 -20.1023 -19.6197 36.036 GPRESSAVG: 3372000 -27.7763 12.6895 -20.4664 7.24353 13.179 -17.5724 -20.004 -20.7642 36.3365 TIMING: 3372000 CPU: 10151.8, 0.00300201/step Wall: 10151.8, 0.00300201/step, 1.35758 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: 3372000 751.3912 2019.8220 1967.7088 113.1385 -206231.8978 17721.8931 0.0000 0.0000 34259.5190 -149398.4252 299.1969 -183657.9442 -149299.9342 299.3285 -49.4743 -22.0001 558650.6333 7.3702 7.2464 PRESSURE: 3372200 12.3944 -7.01317 -16.2992 -7.01355 -157.55 -67.6333 -16.299 -67.633 -302.817 GPRESSURE: 3372200 11.2214 19.5641 -19.1636 -41.3008 -105.491 -42.3456 -12.563 -30.951 -256.665 PRESSAVG: 3372200 44.4465 -52.6399 21.6016 -52.6399 -13.0993 -33.2702 21.6017 -33.2701 -26.4307 GPRESSAVG: 3372200 44.7989 -52.5058 22.5513 -49.8662 -12.5992 -36.2128 22.836 -30.9817 -26.8577 TIMING: 3372200 CPU: 10152.4, 0.00300331/step Wall: 10152.4, 0.00300331/step, 1.358 hours remaining, 207.917969 MB of memory in use. ENERGY: 3372200 765.3169 2035.6459 1968.2962 135.0062 -206035.4370 17656.3466 0.0000 0.0000 34035.5291 -149439.2962 297.2407 -183474.8253 -149343.2541 299.0314 -149.3243 -116.9784 558237.2516 1.6389 1.7807 LDB: ============= START OF LOAD BALANCING ============== 10155.9 LDB: ============== END OF LOAD BALANCING =============== 10155.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10155.9 LDB: ============= START OF LOAD BALANCING ============== 10156.2 LDB: Largest compute 4802 load 0.029068 is 24.6% of average load 0.118150 LDB: Average compute 0.001737 is 1.5% of average load 0.118150 LDB: TIME 10156.2 LOAD: AVG 0.11815 MAX 0.205262 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.027 MB LDB: TIME 10156.2 LOAD: AVG 0.11815 MAX 0.205262 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.098 MB LDB: TIME 10156.2 LOAD: AVG 0.11815 MAX 0.205262 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.098 MB LDB: ============== END OF LOAD BALANCING =============== 10156.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10156.2 PRESSURE: 3372400 103.404 -104.792 -105.105 -104.792 299.738 -18.6761 -105.104 -18.6758 154.429 GPRESSURE: 3372400 107.84 -98.7217 -171.27 -136.74 289.708 -86.3592 -19.6014 17.7779 256.761 PRESSAVG: 3372400 -23.0193 -77.3859 46.8053 -77.3859 13.7821 -36.7189 46.8054 -36.7189 7.97 GPRESSAVG: 3372400 -23.5803 -79.4656 45.9003 -76.2726 13.8873 -33.8403 45.8464 -37.5295 8.58329 TIMING: 3372400 CPU: 10153, 0.00305399/step Wall: 10153, 0.00305399/step, 1.38074 hours remaining, 208.500000 MB of memory in use. ENERGY: 3372400 750.8430 2076.9078 1968.7689 108.9240 -206852.1479 18045.2199 0.0000 0.0000 34380.3088 -149521.1756 300.2518 -183901.4844 -149427.7478 298.2678 185.8570 218.1030 557202.6465 -0.4224 -0.3699 PRESSURE: 3372600 -362.02 -182.247 -103.491 -182.245 239.509 194.605 -103.492 194.603 189.298 GPRESSURE: 3372600 -271.902 -224.266 -99.5156 -155.04 249.643 191.216 -81.2722 175.879 200.219 PRESSAVG: 3372600 -33.1019 -97.836 -19.4785 -97.836 -4.8579 -9.3565 -19.4785 -9.35647 36.6329 GPRESSAVG: 3372600 -32.7841 -98.1218 -18.2226 -97.8603 -4.16755 -9.83786 -19.3078 -10.0937 35.1992 TIMING: 3372600 CPU: 10153.6, 0.00298172/step Wall: 10153.6, 0.00298172/step, 1.3479 hours remaining, 208.703125 MB of memory in use. ENERGY: 3372600 775.3742 2055.6519 1962.3194 120.5347 -206437.4019 18016.5032 0.0000 0.0000 34081.1233 -149425.8954 297.6389 -183507.0186 -149325.5891 298.2020 22.2624 59.3199 556998.9128 -0.4423 -0.5841 PRESSURE: 3372800 41.9253 -23.1119 -75.1367 -23.1127 436.93 88.2571 -75.1361 88.2563 32.0188 GPRESSURE: 3372800 86.0251 -16.0383 -110.489 -11.5056 448.004 123.683 -62.8838 69.7103 75.9891 PRESSAVG: 3372800 36.9149 -37.8776 16.4633 -37.8776 26.2533 59.3374 16.4633 59.3374 -46.9583 GPRESSAVG: 3372800 36.6894 -37.9007 16.1345 -37.9327 25.7863 57.1452 15.5337 60.2402 -45.8796 TIMING: 3372800 CPU: 10154.2, 0.00295398/step Wall: 10154.2, 0.00295398/step, 1.3352 hours remaining, 208.703125 MB of memory in use. ENERGY: 3372800 737.3044 2045.4444 1939.9140 108.3377 -206454.8411 17974.2615 0.0000 0.0000 34309.6838 -149339.8951 299.6350 -183649.5790 -149246.0617 298.7594 170.2914 203.3393 557644.4022 5.4033 5.5320 PRESSURE: 3373000 -280.447 188.389 -40.8133 188.388 -76.4087 -133.94 -40.8123 -133.94 -4.8243 GPRESSURE: 3373000 -226.91 197.932 -52.4282 193.859 -58.2771 -232.725 -92.8175 -93.4144 25.8232 PRESSAVG: 3373000 -39.2709 -34.3599 -29.9104 -34.36 7.73939 -28.422 -29.9104 -28.422 59.1164 GPRESSAVG: 3373000 -38.6308 -33.6084 -30.7117 -33.9003 9.07694 -26.5105 -27.6334 -29.083 57.8372 TIMING: 3373000 CPU: 10154.8, 0.00297403/step Wall: 10154.8, 0.00297403/step, 1.3441 hours remaining, 208.703125 MB of memory in use. ENERGY: 3373000 736.4582 2113.5813 1958.7218 107.2618 -205893.9427 17725.8725 0.0000 0.0000 34061.6826 -149190.3645 297.4691 -183252.0472 -149090.9281 299.7680 -120.5602 -86.4547 558516.7762 9.1950 9.4278 PRESSURE: 3373200 48.993 -48.1391 -37.4189 -48.14 -123.516 -122.593 -37.4182 -122.594 41.5443 GPRESSURE: 3373200 -25.249 -44.1059 -86.6204 -60.7105 -19.2527 -120.072 35.7323 -159.371 105.207 PRESSAVG: 3373200 -10.3702 -19.1691 -40.3652 -19.169 -10.2039 -0.957924 -40.3654 -0.957911 -23.0557 GPRESSAVG: 3373200 -9.64948 -16.8032 -40.2705 -21.5267 -11.4693 -3.11582 -39.9974 -1.26283 -22.3865 TIMING: 3373200 CPU: 10155.4, 0.00295198/step Wall: 10155.4, 0.00295198/step, 1.33397 hours remaining, 208.703125 MB of memory in use. ENERGY: 3373200 740.3949 2102.7674 1920.5252 118.0775 -206092.6103 17801.7481 0.0000 0.0000 34292.1358 -149116.9615 299.4818 -183409.0973 -149026.5532 299.2952 -10.9930 20.2350 558804.4538 -14.5433 -14.5018 PRESSURE: 3373400 -135.944 -45.1027 39.5045 -45.1027 -89.8149 -64.4065 39.5041 -64.4069 -176.208 GPRESSURE: 3373400 -82.3108 -17.2749 104.076 -66.1375 -73.8044 -92.1851 -14.0637 33.141 -163.113 PRESSAVG: 3373400 -2.107 40.9738 -66.6212 40.9737 55.6885 33.4186 -66.6212 33.4186 -22.669 GPRESSAVG: 3373400 -0.843348 39.9439 -65.2016 40.1284 55.1416 37.0131 -68.7211 33.8467 -23.5695 TIMING: 3373400 CPU: 10156, 0.00295352/step Wall: 10156, 0.00295352/step, 1.3345 hours remaining, 208.703125 MB of memory in use. ENERGY: 3373400 775.0906 2062.9437 1949.1983 117.9259 -206225.3375 17774.2823 0.0000 0.0000 34409.8778 -149136.0188 300.5100 -183545.8966 -149041.0467 299.6108 -133.9887 -106.4094 558455.0783 10.3042 10.2429 PRESSURE: 3373600 -325.969 3.54377 85.5716 3.54312 -117.609 -102.753 85.5704 -102.753 200.41 GPRESSURE: 3373600 -271.234 25.7857 117.606 3.71836 -75.7542 -29.5183 88.1655 -152.03 203.662 PRESSAVG: 3373600 -16.5706 32.2755 47.6071 32.2756 15.8664 36.9681 47.6071 36.968 29.6863 GPRESSAVG: 3373600 -18.421 32.3636 46.7543 34.265 16.6909 35.61 50.548 36.3139 30.9634 TIMING: 3373600 CPU: 10156.5, 0.00295858/step Wall: 10156.5, 0.00295858/step, 1.33662 hours remaining, 208.703125 MB of memory in use. ENERGY: 3373600 717.6554 2062.2932 1939.1892 106.2792 -206249.2540 17780.3716 0.0000 0.0000 34497.3400 -149146.1253 301.2739 -183643.4653 -149047.2883 299.7880 -81.0560 -47.7755 558242.1248 9.6607 9.7444 PRESSURE: 3373800 -20.9174 -81.5497 6.18119 -81.5502 1.81528 158.234 6.18186 158.231 -71.3724 GPRESSURE: 3373800 23.4565 -98.8801 -21.7553 -26.2405 6.51968 121.748 -41.6407 110.371 -15.9475 PRESSAVG: 3373800 -84.1044 3.94953 60.6322 3.94954 3.00007 -37.8191 60.6321 -37.819 58.7145 GPRESSAVG: 3373800 -81.7908 3.6192 59.5301 2.59115 1.97124 -37.8962 60.611 -38.4564 57.236 TIMING: 3373800 CPU: 10157.1, 0.00295877/step Wall: 10157.1, 0.00295877/step, 1.33654 hours remaining, 208.703125 MB of memory in use. ENERGY: 3373800 765.0089 2043.0988 1943.6500 120.0766 -206169.5580 17836.5196 0.0000 0.0000 34388.9387 -149072.2654 300.3272 -183461.2041 -148973.0210 299.8767 -30.1582 4.6762 558698.3010 -7.4633 -7.5279 PRESSURE: 3374000 65.2596 -32.5096 -83.6073 -32.5093 -37.6506 -108.134 -83.6076 -108.135 159.156 GPRESSURE: 3374000 75.1517 -72.0372 -65.9196 16.0042 25.6767 -132.317 -119.094 -85.6057 192.692 PRESSAVG: 3374000 41.5914 7.79482 -56.8797 7.79484 -27.7669 -14.2106 -56.8797 -14.2107 -8.43896 GPRESSAVG: 3374000 39.8916 6.63693 -55.8316 11.0514 -26.8067 -14.2726 -57.9399 -13.9587 -7.88028 TIMING: 3374000 CPU: 10157.7, 0.00298816/step Wall: 10157.7, 0.00298816/step, 1.34965 hours remaining, 208.703125 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: 3374000 732.1071 2125.2633 1947.5156 106.8138 -205989.3857 17605.0131 0.0000 0.0000 34401.8803 -149070.7925 300.4402 -183472.6728 -148975.8626 299.7382 62.2549 97.8401 557847.6224 1.7952 1.7349 PRESSURE: 3374200 -14.7799 134.741 14.2066 134.74 211.693 -148.43 14.2082 -148.43 -0.503749 GPRESSURE: 3374200 32.785 78.5644 76.4334 199.575 212.934 -195.971 -68.6486 -117.608 38.9248 PRESSAVG: 3374200 -41.5334 22.7167 -5.7501 22.7166 -44.4123 -86.7932 -5.75003 -86.7931 72.3761 GPRESSAVG: 3374200 -41.5776 22.3862 -4.86761 22.4814 -44.5115 -86.3409 -6.95153 -85.0935 73.1504 TIMING: 3374200 CPU: 10158.3, 0.00298856/step Wall: 10158.3, 0.00298856/step, 1.34967 hours remaining, 208.703125 MB of memory in use. ENERGY: 3374200 720.4926 2120.5385 1961.6620 125.0441 -206085.5580 17807.4506 0.0000 0.0000 34437.3605 -148913.0098 300.7500 -183350.3703 -148821.5510 300.0797 65.4697 94.8814 558307.0399 -4.5232 -4.3129 PRESSURE: 3374400 270.792 94.9389 -19.9445 94.9397 106.857 -4.63455 -19.9443 -4.6345 -25.0135 GPRESSURE: 3374400 326.187 135.898 -19.8966 -14.1334 161.833 -7.7507 -35.7959 25.7134 -27.2417 PRESSAVG: 3374400 -8.20113 28.1852 80.4216 28.1851 -23.7409 29.8278 80.4215 29.8278 25.2213 GPRESSAVG: 3374400 -6.812 28.0412 79.7809 29.2432 -24.1325 27.9194 82.2033 31.4507 23.4954 TIMING: 3374400 CPU: 10158.9, 0.00301985/step Wall: 10158.9, 0.00301985/step, 1.36363 hours remaining, 208.703125 MB of memory in use. ENERGY: 3374400 747.2834 2115.0339 1939.1353 100.3968 -205909.2209 17845.8627 0.0000 0.0000 34164.8677 -148996.6410 298.3703 -183161.5087 -148903.3726 300.0140 117.5451 153.5930 557232.4517 -2.2403 -2.4830 PRESSURE: 3374600 -234.622 184.395 217.089 184.394 -35.1359 175.073 217.09 175.073 -26.3952 GPRESSURE: 3374600 -171.818 170.026 184.774 148.118 -47.8237 230.984 159.116 136.397 7.16295 PRESSAVG: 3374600 -85.0433 -36.1062 22.4035 -36.1063 81.0332 52.0418 22.4034 52.0417 -28.6794 GPRESSAVG: 3374600 -86.9386 -35.7238 24.4067 -37.9893 81.1038 52.785 20.0553 49.6601 -27.3875 TIMING: 3374600 CPU: 10159.5, 0.00296702/step Wall: 10159.5, 0.00296702/step, 1.33961 hours remaining, 208.703125 MB of memory in use. ENERGY: 3374600 750.2302 2160.0898 1955.4774 99.7316 -206099.4493 17594.4848 0.0000 0.0000 34494.8704 -149044.5650 301.2523 -183539.4354 -148945.8002 299.9223 -98.7177 -70.8261 557662.0711 -10.8965 -11.0741 PRESSURE: 3374800 -20.458 -100.685 57.0048 -100.686 -209.028 25.194 57.0042 25.1945 198.684 GPRESSURE: 3374800 -13.9461 -138.422 45.3584 -47.3584 -196.601 43.6513 29.7446 -59.9616 265.787 PRESSAVG: 3374800 35.2529 -44.3989 25.5498 -44.3989 -93.4083 13.3301 25.5497 13.3301 40.2398 GPRESSAVG: 3374800 36.3667 -45.7704 20.6467 -44.4041 -94.3091 15.6409 28.5352 12.797 39.5974 TIMING: 3374800 CPU: 10160.1, 0.00295385/step Wall: 10160.1, 0.00295385/step, 1.3335 hours remaining, 208.703125 MB of memory in use. ENERGY: 3374800 740.7315 2082.6861 1911.6512 102.5115 -205951.4237 17655.5727 0.0000 0.0000 34435.8342 -149022.4365 300.7367 -183458.2707 -148918.0068 299.3135 -10.2673 18.4133 557727.1700 -5.9719 -6.1150 PRESSURE: 3375000 -36.6785 -21.1413 156.04 -21.1419 -151.672 16.4914 156.041 16.4923 -152.824 GPRESSURE: 3375000 14.2425 18.3892 -18.399 -37.5543 -117.204 47.6097 230.989 86.5982 -133.95 PRESSAVG: 3375000 -32.3958 -14.1422 66.9669 -14.1421 -23.9316 -11.6187 66.9669 -11.6188 23.05 GPRESSAVG: 3375000 -33.4216 -13.2432 69.0791 -14.5291 -23.1902 -13.4362 67.2731 -12.7913 23.537 TIMING: 3375000 CPU: 10160.7, 0.00298331/step Wall: 10160.7, 0.00298331/step, 1.34663 hours remaining, 208.703125 MB of memory in use. ENERGY: 3375000 737.5580 2071.6696 1942.7901 122.1906 -205761.2564 17659.0656 0.0000 0.0000 34261.8738 -148966.1086 299.2175 -183227.9824 -148871.9924 299.8614 -113.7251 -78.9704 557811.9306 -11.0925 -11.0249 PRESSURE: 3375200 174.305 18.8425 -180.208 18.8425 -193.192 86.4399 -180.208 86.4406 -20.5045 GPRESSURE: 3375200 196.228 -45.7622 -158.52 68.195 -111.224 88.5264 -197.72 140.018 -26.5787 PRESSAVG: 3375200 33.5425 0.110943 13.6221 0.111034 7.04716 14.3306 13.6222 14.3307 -33.8042 GPRESSAVG: 3375200 33.1422 0.592312 12.9319 0.229927 5.90656 16.4359 11.169 14.7085 -33.2869 TIMING: 3375200 CPU: 10161.3, 0.00298259/step Wall: 10161.3, 0.00298259/step, 1.34614 hours remaining, 208.703125 MB of memory in use. ENERGY: 3375200 764.5406 2072.1874 1959.7511 132.1139 -206157.9494 17884.2345 0.0000 0.0000 34384.2341 -148960.8877 300.2861 -183345.1218 -148865.4992 300.5957 -13.1305 19.4751 557907.9757 2.2618 1.9206 PRESSURE: 3375400 213.058 39.4614 37.0205 39.4631 -11.8077 23.4755 37.0202 23.4759 105.217 GPRESSURE: 3375400 271.505 81.1483 70.3565 -19.2267 39.0174 57.3307 39.262 132.54 91.0542 PRESSAVG: 3375400 67.2441 -26.2236 47.45 -26.2236 -53.9612 20.0361 47.45 20.0361 12.4191 GPRESSAVG: 3375400 67.3246 -25.6728 49.1857 -27.393 -53.703 19.8947 49.6593 22.1843 11.7397 TIMING: 3375400 CPU: 10161.9, 0.00298928/step Wall: 10161.9, 0.00298928/step, 1.34899 hours remaining, 208.703125 MB of memory in use. ENERGY: 3375400 706.6556 2117.9514 1950.4437 123.7275 -206645.6124 18113.5930 0.0000 0.0000 34584.3845 -149048.8567 302.0340 -183633.2411 -148953.9984 300.0459 102.1559 133.8590 558571.3005 8.5673 8.4537 PRESSURE: 3375600 -25.1806 110.158 47.7231 110.158 -154.659 11.614 47.7232 11.6146 -220.013 GPRESSURE: 3375600 -19.3467 -44.4665 -11.3968 126.343 -117.667 -50.2955 10.7772 83.3645 -169.76 PRESSAVG: 3375600 24.7053 12.7797 15.1178 12.7797 -13.9829 4.12679 15.1178 4.12682 -39.5887 GPRESSAVG: 3375600 25.2269 13.4469 16.4696 12.7582 -14.6677 0.908199 14.4258 3.69682 -39.3515 TIMING: 3375600 CPU: 10162.5, 0.00298938/step Wall: 10162.5, 0.00298938/step, 1.34887 hours remaining, 208.703125 MB of memory in use. ENERGY: 3375600 760.9090 2124.8997 1949.3312 116.0632 -205679.8574 17539.2311 0.0000 0.0000 34402.6004 -148786.8228 300.4465 -183189.4232 -148691.9013 300.3852 -133.2842 -102.2579 558252.3352 -9.6221 -9.5974 PRESSURE: 3375800 233.976 -69.7611 -156.968 -69.7603 77.4415 -61.2274 -156.968 -61.2282 31.276 GPRESSURE: 3375800 209.553 -85.9314 -177.235 -46.0697 126.647 -16.7649 -177.156 -77.7921 91.3457 PRESSAVG: 3375800 51.1563 9.38761 -36.8514 9.38757 3.21031 -29.3011 -36.8514 -29.3012 -43.5026 GPRESSAVG: 3375800 49.8048 6.31476 -37.804 10.0863 4.40574 -29.063 -36.3611 -29.2326 -43.6481 TIMING: 3375800 CPU: 10163.1, 0.00297098/step Wall: 10163.1, 0.00297098/step, 1.34041 hours remaining, 208.703125 MB of memory in use. ENERGY: 3375800 730.6319 2082.9575 1954.9951 109.3286 -206164.6214 18081.9379 0.0000 0.0000 34362.0900 -148842.6805 300.0927 -183204.7704 -148749.6801 300.2802 114.2312 142.5154 558796.7806 3.6214 3.5208 PRESSURE: 3376000 50.6683 -116.189 26.1845 -116.187 -51.3668 -53.2144 26.1848 -53.2139 29.1363 GPRESSURE: 3376000 109.101 -135.194 55.2236 -56.2018 -45.9991 -29.5822 36.1214 -103.681 56.9445 PRESSAVG: 3376000 55.2934 -2.05483 -12.2992 -2.05471 -5.43695 -28.9385 -12.2991 -28.9386 -16.4567 GPRESSAVG: 3376000 56.391 1.18063 -13.6388 -3.85147 -6.55751 -28.217 -11.9631 -30.6652 -16.5927 TIMING: 3376000 CPU: 10163.7, 0.00293472/step Wall: 10163.7, 0.00293472/step, 1.32389 hours remaining, 208.703125 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: 3376000 786.0733 2169.4306 1946.6914 112.7601 -206087.0542 17838.8913 0.0000 0.0000 34463.8458 -148769.3617 300.9813 -183233.2076 -148677.6314 300.7230 9.4793 40.0155 558867.8479 11.1333 11.0803 PRESSURE: 3376200 -150.776 -35.3072 -75.9221 -35.3078 81.1188 -136.318 -75.9215 -136.318 -48.9831 GPRESSURE: 3376200 -116.749 -21.8523 -98.0882 -53.0593 150.867 -212.014 -41.7402 -142.264 -53.7008 PRESSAVG: 3376200 17.388 -6.55543 -51.3282 -6.55544 -41.4454 -0.254856 -51.3281 -0.254857 -50.1382 GPRESSAVG: 3376200 18.7101 -7.16862 -50.3019 -2.56814 -41.796 1.62382 -52.5199 0.31736 -50.2028 TIMING: 3376200 CPU: 10164.3, 0.00297464/step Wall: 10164.3, 0.00297464/step, 1.34173 hours remaining, 208.703125 MB of memory in use. ENERGY: 3376200 719.6346 2094.4834 1935.6136 111.5562 -205822.7270 17552.5936 0.0000 0.0000 34597.7539 -148811.0916 302.1508 -183408.8455 -148708.9470 300.6934 -39.5467 -6.5273 557357.3282 -24.7319 -24.4296 LDB: ============= START OF LOAD BALANCING ============== 10167.8 LDB: ============== END OF LOAD BALANCING =============== 10167.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10167.8 LDB: ============= START OF LOAD BALANCING ============== 10168.1 LDB: Largest compute 4802 load 0.028714 is 24.3% of average load 0.118156 LDB: Average compute 0.001740 is 1.5% of average load 0.118156 LDB: TIME 10168.1 LOAD: AVG 0.118156 MAX 0.204026 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.992 MB LDB: TIME 10168.1 LOAD: AVG 0.118156 MAX 0.204026 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.195 MB LDB: TIME 10168.1 LOAD: AVG 0.118156 MAX 0.204026 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.195 MB LDB: ============== END OF LOAD BALANCING =============== 10168.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10168.1 PRESSURE: 3376400 58.1827 -142.79 -63.4173 -142.793 -116.792 -101.08 -63.4167 -101.079 -31.7715 GPRESSURE: 3376400 48.0824 -171.774 -69.6036 -108.728 -101.463 -45.4024 -131.73 -155.734 48.9021 PRESSAVG: 3376400 -4.47102 -2.12739 4.57638 -2.12745 28.1845 -1.81731 4.57632 -1.81738 38.8372 GPRESSAVG: 3376400 -5.77874 -1.33906 1.38156 -3.74485 29.1651 -3.49741 5.47525 -0.330724 39.4782 TIMING: 3376400 CPU: 10164.9, 0.00302916/step Wall: 10164.9, 0.00302916/step, 1.36615 hours remaining, 208.941406 MB of memory in use. ENERGY: 3376400 752.7462 2080.3669 1949.2489 117.2771 -206142.4869 17789.4370 0.0000 0.0000 34397.0902 -149056.3207 300.3983 -183453.4109 -148952.6032 299.9896 -30.1270 -1.4928 558712.5617 20.8502 20.9548 PRESSURE: 3376600 23.9177 119.417 -136.009 119.415 30.6045 118.537 -136.009 118.538 123.18 GPRESSURE: 3376600 102.849 103.365 -169.897 105.437 19.0359 103.989 -104.161 129.44 157.605 PRESSAVG: 3376600 1.34015 7.68198 25.346 7.68199 -3.37853 -17.4143 25.3459 -17.4143 -2.6596 GPRESSAVG: 3376600 1.63423 5.63025 26.909 7.26553 -4.07985 -16.5317 25.9675 -21.1337 -1.84853 TIMING: 3376600 CPU: 10165.5, 0.00294296/step Wall: 10165.5, 0.00294296/step, 1.32711 hours remaining, 209.144531 MB of memory in use. ENERGY: 3376600 731.7956 2061.2334 1940.4028 105.0390 -206225.1597 17819.0733 0.0000 0.0000 34390.6553 -149176.9603 300.3421 -183567.6156 -149077.9769 299.8588 59.2341 93.1632 555858.5799 -1.5660 -1.4314 PRESSURE: 3376800 -157.952 26.0298 -7.83746 26.0309 -155.605 -182.309 -7.83709 -182.308 -262.988 GPRESSURE: 3376800 -125.206 113.403 55.0092 22.0691 -103.573 -96.6895 -14.464 -238.375 -260.962 PRESSAVG: 3376800 32.9334 32.0804 -10.6448 32.0803 -0.692445 -32.0213 -10.6449 -32.0213 -47.4526 GPRESSAVG: 3376800 32.7038 35.0496 -9.84869 31.5144 0.164916 -31.3226 -10.8728 -29.749 -47.6791 TIMING: 3376800 CPU: 10166.1, 0.00298662/step Wall: 10166.1, 0.00298662/step, 1.34663 hours remaining, 209.347656 MB of memory in use. ENERGY: 3376800 810.3731 2076.5138 1939.0191 105.7892 -206069.6738 17725.8806 0.0000 0.0000 34497.0650 -148915.0330 301.2714 -183412.0980 -148817.7515 300.1062 -192.1816 -163.2471 557214.2643 -5.0705 -4.9368 PRESSURE: 3377000 72.8636 77.6621 116.35 77.6616 0.866375 -49.0848 116.349 -49.0845 155.149 GPRESSURE: 3377000 117.237 115.073 51.559 16.1951 11.2235 -12.4802 121.253 -114.931 197.825 PRESSAVG: 3377000 -16.8571 -30.2879 31.5241 -30.2878 -33.474 -51.263 31.5241 -51.2629 17.4554 GPRESSAVG: 3377000 -17.3929 -31.8718 31.1716 -28.2724 -33.6217 -53.8502 30.5126 -51.0612 18.5735 TIMING: 3377000 CPU: 10166.7, 0.0029605/step Wall: 10166.7, 0.0029605/step, 1.33469 hours remaining, 209.347656 MB of memory in use. ENERGY: 3377000 747.8191 2038.3204 1942.7449 116.1544 -206465.5809 18080.9187 0.0000 0.0000 34494.0416 -149045.5816 301.2450 -183539.6233 -148947.0857 299.7145 76.2930 108.7619 557269.0567 -10.9586 -10.8137 PRESSURE: 3377200 -340.803 19.0812 76.4961 19.0818 275.037 87.9383 76.4952 87.9375 312.104 GPRESSURE: 3377200 -287.493 26.0757 113.138 42.9003 300.337 122.692 28.2593 143.609 338.822 PRESSAVG: 3377200 -35.6467 4.56091 -14.1244 4.56083 63.4851 5.53702 -14.1244 5.53705 12.6972 GPRESSAVG: 3377200 -34.0698 3.33794 -12.065 3.31365 64.1232 8.84619 -14.5621 4.8717 10.7733 TIMING: 3377200 CPU: 10167.3, 0.00296346/step Wall: 10167.3, 0.00296346/step, 1.33586 hours remaining, 209.347656 MB of memory in use. ENERGY: 3377200 749.6936 2116.2313 1952.5343 119.5830 -206395.4438 17958.6928 0.0000 0.0000 34425.7398 -149072.9690 300.6485 -183498.7088 -148981.6645 300.2157 82.1130 117.2221 556898.4023 13.5119 13.6089 PRESSURE: 3377400 -243.571 -88.1806 67.4104 -88.1802 40.7205 5.79268 67.4095 5.79327 -1.99876 GPRESSURE: 3377400 -229.261 -147.491 140.979 -91.4103 81.6216 43.3734 58.1388 -84.49 45.3213 PRESSAVG: 3377400 -45.8271 27.7793 15.629 27.7793 47.6727 22.1892 15.6291 22.1891 -9.7309 GPRESSAVG: 3377400 -46.1152 28.4661 15.6817 28.0746 47.4581 19.6242 16.4926 23.4003 -8.86313 TIMING: 3377400 CPU: 10167.9, 0.00298118/step Wall: 10167.9, 0.00298118/step, 1.34368 hours remaining, 209.347656 MB of memory in use. ENERGY: 3377400 710.6872 2095.0205 1953.6313 120.6321 -205865.7393 17673.8342 0.0000 0.0000 34170.5198 -149141.4142 298.4196 -183311.9341 -149039.7702 299.9878 -68.2829 -34.1061 557917.5295 -2.6284 -2.5068 PRESSURE: 3377600 -20.7765 105.693 105.291 105.694 136.373 24.8316 105.29 24.8312 84.2953 GPRESSURE: 3377600 8.55543 69.6838 37.6962 107.944 170.798 -8.80163 83.4021 42.4588 110.929 PRESSAVG: 3377600 -37.7125 -47.1121 25.6804 -47.1121 67.6384 -4.91511 25.6803 -4.91515 14.758 GPRESSAVG: 3377600 -39.093 -48.7916 24.3714 -46.0577 68.6322 -2.80783 24.0607 -7.20976 14.9021 TIMING: 3377600 CPU: 10168.5, 0.00299218/step Wall: 10168.5, 0.00299218/step, 1.34847 hours remaining, 209.347656 MB of memory in use. ENERGY: 3377600 778.3441 2106.4735 1956.2512 101.3261 -206285.3297 17913.1598 0.0000 0.0000 34443.3728 -148986.4020 300.8025 -183429.7749 -148887.3083 299.7455 66.6304 96.7607 556380.8211 14.8946 14.8138 PRESSURE: 3377800 -43.39 1.655 -48.9634 1.65591 -260.329 78.5421 -48.9642 78.5435 -253.201 GPRESSURE: 3377800 -50.0867 -8.4467 -83.4515 -22.7195 -224.17 142.599 -60.7588 120.214 -180.779 PRESSAVG: 3377800 7.67935 -31.7653 28.244 -31.7651 -5.53477 19.6432 28.244 19.6432 -27.4438 GPRESSAVG: 3377800 8.16082 -30.2965 28.887 -32.4422 -6.88797 17.965 29.875 21.2998 -27.1455 TIMING: 3377800 CPU: 10169.1, 0.00300739/step Wall: 10169.1, 0.00300739/step, 1.35516 hours remaining, 209.347656 MB of memory in use. ENERGY: 3377800 747.9231 2073.8559 1969.3027 119.5318 -205641.7813 17410.0626 0.0000 0.0000 34198.6733 -149122.4318 298.6655 -183321.1051 -149022.7436 300.6437 -185.6398 -151.6786 557128.4761 -8.4331 -8.6242 PRESSURE: 3378000 140.75 72.4744 -96.1744 72.4748 48.8828 -83.8151 -96.1755 -83.8149 74.9479 GPRESSURE: 3378000 109.451 71.4899 -143.678 76.4456 137.68 -165.884 -43.6674 -32.1769 117.08 PRESSAVG: 3378000 -27.9077 52.3623 2.69869 52.3621 3.81911 11.8494 2.69868 11.8493 12.8957 GPRESSAVG: 3378000 -27.7219 53.2778 1.12164 53.9458 3.31198 10.7078 1.55076 11.2771 12.9787 TIMING: 3378000 CPU: 10169.7, 0.00299945/step Wall: 10169.7, 0.00299945/step, 1.35142 hours remaining, 209.347656 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: 3378000 762.7944 2073.9893 1936.2842 113.9022 -206365.5706 17942.5207 0.0000 0.0000 34395.7530 -149140.3267 300.3867 -183536.0797 -149043.3369 299.8617 88.1935 121.4037 555245.3222 -3.7310 -3.8104 PRESSURE: 3378200 -183.459 -45.4967 132.688 -45.4976 37.343 108.201 132.687 108.2 -31.7045 GPRESSURE: 3378200 -136.383 -66.5223 43.6255 -3.82593 113.354 84.5265 178.112 110.334 -53.3902 PRESSAVG: 3378200 -107.144 74.0392 -44.8255 74.0391 -22.2773 22.636 -44.8256 22.636 79.4293 GPRESSAVG: 3378200 -107.202 74.644 -45.5378 73.6227 -21.3236 22.7638 -43.5612 21.1158 78.8847 TIMING: 3378200 CPU: 10170.3, 0.00300929/step Wall: 10170.3, 0.00300929/step, 1.35569 hours remaining, 209.347656 MB of memory in use. ENERGY: 3378200 762.2703 2107.5871 1941.2230 121.9481 -206162.4140 17634.1250 0.0000 0.0000 34445.8991 -149149.3613 300.8246 -183595.2604 -149055.0235 299.5414 -59.2735 -25.4730 556819.4727 -16.6639 -16.5470 PRESSURE: 3378400 18.5984 49.1941 -189.018 49.1929 -151.163 -4.23141 -189.018 -4.23237 24.1762 GPRESSURE: 3378400 27.9845 49.8757 -145.223 72.1455 -123.023 -11.3399 -154.667 -9.8054 89.1268 PRESSAVG: 3378400 -2.65791 -5.84195 -31.998 -5.84191 7.24086 12.8941 -31.9979 12.894 6.76066 GPRESSAVG: 3378400 -2.61448 -6.70008 -28.9766 -6.27447 7.64158 15.378 -34.9676 14.5384 6.12133 TIMING: 3378400 CPU: 10170.9, 0.00299799/step Wall: 10170.9, 0.00299799/step, 1.35043 hours remaining, 209.347656 MB of memory in use. ENERGY: 3378400 709.6969 2079.2067 1936.3673 116.6190 -205775.7408 17631.4797 0.0000 0.0000 34077.3707 -149225.0006 297.6062 -183302.3713 -149126.6063 299.0277 -36.1295 -1.9706 557721.6098 3.7812 3.7161 PRESSURE: 3378600 43.3796 -21.9707 -69.3646 -21.9704 -146.397 82.3394 -69.3658 82.3394 -61.7781 GPRESSURE: 3378600 44.6129 -56.0435 -92.4789 18.3126 -113.264 72.341 -149.913 -26.6374 3.49869 PRESSAVG: 3378600 13.4527 -4.42904 -14.8908 -4.42905 4.38511 -2.46775 -14.8908 -2.46775 23.6095 GPRESSAVG: 3378600 12.8269 -5.68845 -16.9459 -5.02688 4.11614 -4.39658 -12.6158 -1.57897 24.1505 TIMING: 3378600 CPU: 10171.5, 0.00300404/step Wall: 10171.5, 0.00300404/step, 1.35298 hours remaining, 209.347656 MB of memory in use. ENERGY: 3378600 759.6482 2035.6780 1918.5658 123.5550 -206184.6571 17736.6651 0.0000 0.0000 34162.1512 -149448.3939 298.3466 -183610.5451 -149349.3987 299.2875 -54.9320 -21.7173 556559.0406 13.8158 13.6978 PRESSURE: 3378800 -75.3451 3.04956 145.768 3.04885 327.336 47.0195 145.767 47.0186 -4.18526 GPRESSURE: 3378800 46.4299 8.92943 163.997 -33.5777 327.162 22.0409 75.669 35.1756 -25.1268 PRESSAVG: 3378800 51.4303 45.0573 -17.5192 45.0573 -60.3644 35.5236 -17.5192 35.5236 18.6263 GPRESSAVG: 3378800 51.4728 46.1173 -16.4037 45.6306 -60.983 34.871 -18.2066 35.2962 18.7383 TIMING: 3378800 CPU: 10172.1, 0.00300745/step Wall: 10172.1, 0.00300745/step, 1.35436 hours remaining, 209.347656 MB of memory in use. ENERGY: 3378800 743.1793 2073.4007 1922.3853 96.6428 -206427.5603 17973.9025 0.0000 0.0000 34139.2845 -149478.7653 298.1469 -183618.0498 -149384.6355 298.4333 82.6018 116.1550 555035.4433 3.2307 3.0760 PRESSURE: 3379000 -146.024 -155.477 50.824 -155.476 -9.26859 61.8741 50.8236 61.8731 -176.833 GPRESSURE: 3379000 -140.931 -63.2826 -13.0634 -103.814 11.4157 52.1146 72.7768 75.2531 -105.178 PRESSAVG: 3379000 -25.244 6.39136 -50.8874 6.39134 -27.6675 65.0871 -50.8874 65.0872 46.2771 GPRESSAVG: 3379000 -24.2904 7.40382 -52.666 6.89015 -28.3973 67.3131 -49.1951 65.2425 45.6566 TIMING: 3379000 CPU: 10172.7, 0.00303642/step Wall: 10172.7, 0.00303642/step, 1.36723 hours remaining, 209.347656 MB of memory in use. ENERGY: 3379000 742.2457 2066.1927 1930.0905 116.7553 -206213.5110 17727.8137 0.0000 0.0000 34273.3750 -149357.0382 299.3179 -183630.4132 -149262.4053 299.0237 -110.7085 -78.2308 556875.6727 -2.2115 -2.3437 PRESSURE: 3379200 -97.9857 102.558 183.262 102.557 34.7262 -57.7837 183.262 -57.7844 -9.89258 GPRESSURE: 3379200 -71.3563 72.9458 136.541 211.941 92.6596 -88.1124 146.871 -11.6389 4.25917 PRESSAVG: 3379200 8.80424 18.4722 27.4362 18.4722 -18.9951 49.406 27.4363 49.406 -6.98543 GPRESSAVG: 3379200 6.92049 17.3317 27.5083 17.1834 -17.6782 48.1042 26.812 50.2719 -6.77029 TIMING: 3379200 CPU: 10173.3, 0.0029929/step Wall: 10173.3, 0.0029929/step, 1.34747 hours remaining, 209.347656 MB of memory in use. ENERGY: 3379200 747.2692 2078.3789 1922.6358 111.0145 -205976.5086 17639.2336 0.0000 0.0000 34321.3209 -149156.6558 299.7366 -183477.9766 -149071.6034 298.7319 -24.3840 8.5208 558247.2545 -5.7254 -5.8427 PRESSURE: 3379400 206.769 56.368 48.8786 56.3685 28.1532 -177.163 48.8796 -177.163 228.005 GPRESSURE: 3379400 266.955 33.2227 -1.80864 105.026 70.3578 -205.97 46.5275 -108.568 238.092 PRESSAVG: 3379400 -52.9044 0.31134 -30.5052 0.311344 -6.51187 -31.2652 -30.5051 -31.2653 70.9814 GPRESSAVG: 3379400 -52.6318 1.95547 -30.7642 0.22814 -6.91503 -30.4074 -33.0376 -32.2643 70.958 TIMING: 3379400 CPU: 10173.9, 0.00296978/step Wall: 10173.9, 0.00296978/step, 1.3369 hours remaining, 209.347656 MB of memory in use. ENERGY: 3379400 747.5102 2057.8585 1933.5779 120.9097 -206702.2843 18197.1288 0.0000 0.0000 34325.6717 -149319.6274 299.7746 -183645.2991 -149222.1628 299.4353 154.3090 191.8017 556921.4931 3.8550 3.8037 PRESSURE: 3379600 89.9807 -30.3612 -83.5389 -30.3608 -57.555 6.21218 -83.5394 6.21207 -75.8436 GPRESSURE: 3379600 102.218 13.3908 -63.2846 -19.8245 -44.6076 22.9723 -57.5934 34.4381 -20.1129 PRESSAVG: 3379600 -69.0156 -7.80386 -32.7086 -7.80384 3.34258 -10.717 -32.7087 -10.7171 67.0805 GPRESSAVG: 3379600 -68.4683 -8.67096 -31.4607 -9.01332 3.04342 -11.8091 -31.2822 -9.78271 66.2351 TIMING: 3379600 CPU: 10174.5, 0.00299318/step Wall: 10174.5, 0.00299318/step, 1.34726 hours remaining, 209.347656 MB of memory in use. ENERGY: 3379600 760.5925 2053.4258 1911.6777 114.1398 -206274.0516 17784.0376 0.0000 0.0000 34460.9666 -149189.2116 300.9562 -183650.1782 -149086.9248 299.0179 -14.4726 12.4991 558201.1773 0.4692 0.2701 PRESSURE: 3379800 -75.8563 -59.293 54.7742 -59.2933 50.1395 -130.461 54.7735 -130.462 -162.37 GPRESSURE: 3379800 -55.8173 -7.36571 13.0077 -93.9133 113.566 -72.4951 67.3547 -68.8483 -150.195 PRESSAVG: 3379800 -10.0714 3.75348 -51.6346 3.75348 46.9877 -27.9659 -51.6347 -27.9659 -23.9423 GPRESSAVG: 3379800 -9.12385 3.59599 -50.1769 5.54748 46.483 -25.7138 -52.049 -29.1379 -24.524 TIMING: 3379800 CPU: 10175.1, 0.00301449/step Wall: 10175.1, 0.00301449/step, 1.35669 hours remaining, 209.347656 MB of memory in use. ENERGY: 3379800 745.2837 2071.7402 1952.3316 101.7092 -206280.4999 17711.4696 0.0000 0.0000 34551.0944 -149146.8712 301.7433 -183697.9656 -149041.2186 299.5089 -62.6957 -30.8154 557981.9360 4.3247 4.2784 PRESSURE: 3380000 249.69 113.384 -32.9687 113.383 -206.423 -58.5043 -32.9675 -58.5041 0.515571 GPRESSURE: 3380000 269.748 63.1333 -5.79645 171.233 -144.622 7.63345 -31.1141 -139.874 22.1149 PRESSAVG: 3380000 26.7606 -28.9726 -27.4217 -28.9727 18.0019 -26.2276 -27.4217 -26.2277 -10.7587 GPRESSAVG: 3380000 25.5014 -29.0734 -26.8344 -31.0752 18.8266 -28.2403 -26.584 -26.6994 -10.3337 TIMING: 3380000 CPU: 10175.7, 0.00300914/step Wall: 10175.7, 0.00300914/step, 1.35412 hours remaining, 209.347656 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: 3380000 766.8828 2063.6041 1939.8098 122.0341 -206265.8148 17975.9848 0.0000 0.0000 34122.0055 -149275.4936 297.9960 -183397.4991 -149183.3914 299.3041 14.5940 49.0802 557646.0016 11.3346 11.3315 PRESSURE: 3380200 54.6215 111.765 52.0208 111.766 -212.11 -145.526 52.0211 -145.526 87.7498 GPRESSURE: 3380200 141.513 88.5032 88.8366 89.1215 -182.035 -84.3642 16.7949 -249.095 70.4115 PRESSAVG: 3380200 37.7861 -27.9661 -2.54035 -27.966 -40.3659 -9.03453 -2.54032 -9.03452 1.41936 GPRESSAVG: 3380200 37.5496 -30.0085 -3.84745 -26.5955 -41.0994 -8.57646 -3.54699 -7.9733 2.02051 TIMING: 3380200 CPU: 10176.3, 0.00300278/step Wall: 10176.3, 0.00300278/step, 1.35108 hours remaining, 209.347656 MB of memory in use. ENERGY: 3380200 735.3953 2051.9198 1905.9717 116.3421 -206494.1297 17866.5207 0.0000 0.0000 34431.7196 -149386.2606 300.7008 -183817.9802 -149283.6117 299.2692 -23.2462 9.9634 558292.0431 -0.3868 -0.5098 LDB: ============= START OF LOAD BALANCING ============== 10179.8 LDB: ============== END OF LOAD BALANCING =============== 10179.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10179.8 LDB: ============= START OF LOAD BALANCING ============== 10180.1 LDB: Largest compute 4802 load 0.028109 is 23.8% of average load 0.118087 LDB: Average compute 0.001739 is 1.5% of average load 0.118087 LDB: TIME 10180.1 LOAD: AVG 0.118087 MAX 0.20541 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.941 MB LDB: TIME 10180.1 LOAD: AVG 0.118087 MAX 0.20541 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.145 MB LDB: TIME 10180.1 LOAD: AVG 0.118087 MAX 0.20541 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.145 MB LDB: ============== END OF LOAD BALANCING =============== 10180.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10180.1 PRESSURE: 3380400 -105.587 -31.1241 137.356 -31.1247 104.664 -27.2678 137.358 -27.2652 -123.608 GPRESSURE: 3380400 -96.1889 -157.226 189.028 -10.1322 156.218 -78.8822 68.3504 10.2726 -85.3758 PRESSAVG: 3380400 12.6195 2.69569 -4.4207 2.69576 -14.9614 22.2545 -4.42066 22.2544 9.47569 GPRESSAVG: 3380400 12.4365 5.26771 -4.1488 4.21253 -14.5322 20.2807 -4.80342 24.1361 9.92718 TIMING: 3380400 CPU: 10176.9, 0.00305465/step Wall: 10176.9, 0.00305465/step, 1.37425 hours remaining, 209.937500 MB of memory in use. ENERGY: 3380400 728.3771 2091.5713 1959.4938 109.7993 -206162.9669 17774.3021 0.0000 0.0000 33897.1710 -149602.2523 296.0324 -183499.4234 -149505.6111 298.1547 -41.5103 -8.4489 559086.6148 2.3779 2.6105 PRESSURE: 3380600 46.6783 133.304 -59.1203 133.305 -273.349 -89.1387 -59.1213 -89.1378 -188.439 GPRESSURE: 3380600 36.3436 115.209 -42.5198 142.127 -229.786 -123.229 -83.4365 -36.1722 -115.997 PRESSAVG: 3380600 -14.5532 -33.9379 32.5322 -33.9379 0.0259899 13.577 32.5323 13.577 40.4317 GPRESSAVG: 3380600 -14.2343 -35.8158 31.2083 -34.3429 0.16156 14.6189 35.6307 11.6242 40.0929 TIMING: 3380600 CPU: 10177.5, 0.00299486/step Wall: 10177.5, 0.00299486/step, 1.34719 hours remaining, 210.140625 MB of memory in use. ENERGY: 3380600 788.9904 2101.1077 1929.1518 109.7651 -206323.3438 17624.2719 0.0000 0.0000 34281.9545 -149488.1025 299.3928 -183770.0569 -149394.2125 298.3049 -138.3699 -103.1468 557298.3211 8.6348 8.6734 PRESSURE: 3380800 -117.757 -149.655 153.071 -149.655 -124.202 -33.2513 153.071 -33.2508 -126.886 GPRESSURE: 3380800 -90.2371 -80.6478 124.335 -223.848 -114.844 -39.6772 152.947 -144.183 -69.5463 PRESSAVG: 3380800 39.3117 -26.4965 -0.27885 -26.4965 -40.0512 -17.5863 -0.27886 -17.5865 -4.98608 GPRESSAVG: 3380800 39.688 -27.2256 0.080758 -25.3427 -41.0762 -16.6313 -2.08684 -16.9841 -3.97199 TIMING: 3380800 CPU: 10178.1, 0.00301582/step Wall: 10178.1, 0.00301582/step, 1.35645 hours remaining, 210.140625 MB of memory in use. ENERGY: 3380800 782.6341 2081.0814 1936.5277 117.2415 -206125.4373 17628.1975 0.0000 0.0000 34119.6355 -149460.1196 297.9753 -183579.7552 -149367.0843 298.0303 -122.9483 -91.5425 556977.9649 -1.9085 -1.7867 PRESSURE: 3381000 -147.143 7.64066 93.0506 7.64079 -87.7366 -69.258 93.0511 -69.2585 -81.7173 GPRESSURE: 3381000 -148.898 -58.7733 98.89 30.2113 -43.0499 -164.475 5.27882 -46.2259 -12.9865 PRESSAVG: 3381000 19.2783 -74.2507 22.7349 -74.2506 -51.4463 9.58262 22.735 9.58264 -11.0487 GPRESSAVG: 3381000 20.1071 -72.5589 26.0399 -76.1093 -51.3471 10.5188 22.0235 7.81414 -11.8873 TIMING: 3381000 CPU: 10178.7, 0.0029988/step Wall: 10178.7, 0.0029988/step, 1.34863 hours remaining, 210.140625 MB of memory in use. ENERGY: 3381000 729.0609 2084.6979 1951.6475 113.1993 -206623.3192 17866.8658 0.0000 0.0000 34437.6457 -149440.2021 300.7525 -183877.8478 -149344.9144 299.6230 -105.5323 -68.3115 557520.2856 -14.4056 -14.3758 PRESSURE: 3381200 29.6575 -23.5651 149.788 -23.5673 42.6856 -71.0456 149.787 -71.0444 -193.82 GPRESSURE: 3381200 104.711 -28.2278 114.82 -49.4411 46.5348 -102.933 215.186 -32.927 -170.794 PRESSAVG: 3381200 42.8142 13.308 38.0104 13.308 26.7834 28.0275 38.0103 28.0275 -7.56242 GPRESSAVG: 3381200 42.1539 13.9581 34.7673 13.6919 26.2622 26.053 39.0038 29.4503 -6.88482 TIMING: 3381200 CPU: 10179.3, 0.00298159/step Wall: 10179.3, 0.00298159/step, 1.34072 hours remaining, 210.140625 MB of memory in use. ENERGY: 3381200 742.5250 2134.5750 1935.6071 110.8648 -206179.1665 17839.0282 0.0000 0.0000 34038.6491 -149377.9173 297.2680 -183416.5664 -149281.7429 299.8279 -40.4924 -6.5163 557675.5254 20.6784 20.5104 PRESSURE: 3381400 -165.643 -131.856 46.9797 -131.854 69.685 -60.1244 46.9807 -60.1241 21.6555 GPRESSURE: 3381400 -98.2679 -84.437 119.265 -162.4 68.1084 -26.2038 99.0531 -35.5146 59.7164 PRESSAVG: 3381400 13.2056 -5.20515 47.5978 -5.20514 -44.145 -45.1075 47.5978 -45.1076 23.5509 GPRESSAVG: 3381400 12.7108 -6.03944 47.7057 -7.17153 -42.351 -45.85 46.5667 -44.2872 22.1084 TIMING: 3381400 CPU: 10179.9, 0.00294681/step Wall: 10179.9, 0.00294681/step, 1.32492 hours remaining, 210.140625 MB of memory in use. ENERGY: 3381400 716.1022 2046.1735 1910.8725 115.6454 -206289.2045 17713.2242 0.0000 0.0000 34408.7648 -149378.4219 300.5003 -183787.1867 -149281.1271 299.1894 -24.7676 9.8523 557239.1670 -2.4628 -2.5106 PRESSURE: 3381600 48.6624 -137.049 -53.5325 -137.05 140.672 182.595 -53.5312 182.594 -150.057 GPRESSURE: 3381600 70.5054 -108.837 -58.5602 -110.725 150.124 103.558 -84.7624 214.209 -84.6355 PRESSAVG: 3381600 33.165 -64.0979 8.4341 -64.0979 -31.5876 15.199 8.43407 15.1989 -6.07655 GPRESSAVG: 3381600 32.8985 -63.8726 7.99277 -62.4835 -31.3018 14.6378 9.48448 14.2273 -5.28053 TIMING: 3381600 CPU: 10180.5, 0.00299607/step Wall: 10180.5, 0.00299607/step, 1.3469 hours remaining, 210.140625 MB of memory in use. ENERGY: 3381600 724.9791 2085.4035 1948.7301 113.2463 -206254.6029 17816.4824 0.0000 0.0000 34395.7510 -149170.0105 300.3866 -183565.7614 -149073.5037 299.2507 13.0922 45.3314 556787.4943 -1.4997 -1.2279 PRESSURE: 3381800 60.0622 -78.1284 11.6467 -78.129 187.752 96.9576 11.6462 96.9592 166.214 GPRESSURE: 3381800 75.0786 -178.502 27.3182 -80.8378 202.152 50.4341 39.9129 135.926 234.473 PRESSAVG: 3381800 -6.35708 19.978 22.3374 19.978 -12.624 26.7606 22.3373 26.7604 12.9755 GPRESSAVG: 3381800 -6.98275 20.9463 22.8054 19.6917 -13.2232 28.4058 24.3193 26.4476 14.7584 TIMING: 3381800 CPU: 10181.1, 0.00297455/step Wall: 10181.1, 0.00297455/step, 1.33706 hours remaining, 210.140625 MB of memory in use. ENERGY: 3381800 724.3272 2064.9278 1960.0981 101.3784 -206498.9833 18100.7414 0.0000 0.0000 34435.0462 -149112.4641 300.7298 -183547.5103 -149016.3366 299.2316 138.0093 170.5679 557293.7076 -2.0018 -1.8159 PRESSURE: 3382000 113.866 -83.7514 71.1575 -83.7514 -233.24 -34.14 71.1581 -34.1407 7.26941 GPRESSURE: 3382000 134.265 -54.6842 71.9738 -46.2279 -192.725 -2.35306 115.225 -66.3364 56.7751 PRESSAVG: 3382000 -48.0334 32.0404 29.2011 32.0403 67.8688 18.2596 29.2011 18.2597 15.1821 GPRESSAVG: 3382000 -46.6777 30.3252 28.5765 34.1886 67.6685 17.3006 29.4782 17.4859 13.8211 TIMING: 3382000 CPU: 10181.7, 0.00298077/step Wall: 10181.7, 0.00298077/step, 1.33969 hours remaining, 210.140625 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: 3382000 720.5004 2093.9620 1953.8789 118.9966 -205986.8051 17734.7612 0.0000 0.0000 34392.6932 -148972.0127 300.3599 -183364.7059 -148875.9187 299.5048 -37.3683 -0.5615 558427.1398 11.6725 11.6040 PRESSURE: 3382200 191.719 65.2089 182.237 65.2089 286.167 98.6289 182.236 98.6297 235.394 GPRESSURE: 3382200 177.922 101.952 201.39 46.0639 335.74 -5.52859 149.58 166.114 296.229 PRESSAVG: 3382200 0.924828 10.4618 67.3086 10.4618 16.4467 3.75492 67.3085 3.75482 5.924 GPRESSAVG: 3382200 0.509207 10.6475 69.3068 9.31769 15.5771 5.05018 64.6566 4.95189 7.2578 TIMING: 3382200 CPU: 10182.3, 0.00297388/step Wall: 10182.3, 0.00297388/step, 1.33643 hours remaining, 210.140625 MB of memory in use. ENERGY: 3382200 748.2596 2072.3182 1954.5114 114.7948 -206674.7732 18331.6605 0.0000 0.0000 34401.7439 -149051.4848 300.4390 -183453.2287 -148955.5745 299.4299 237.7601 269.9636 558132.0767 7.7652 7.7814 PRESSURE: 3382400 30.7791 -28.4176 -39.744 -28.4163 -19.0058 -100.12 -39.746 -100.12 23.2208 GPRESSURE: 3382400 53.8992 73.3354 -73.0281 -60.8567 14.9824 -115.037 -20.5599 -50.013 50.1078 PRESSAVG: 3382400 81.4544 47.6635 41.0398 47.6635 7.43895 9.79312 41.0398 9.79306 -84.6779 GPRESSAVG: 3382400 81.1891 49.4336 40.4195 47.8008 8.28764 9.32166 41.9759 11.2237 -85.1834 TIMING: 3382400 CPU: 10182.8, 0.0029662/step Wall: 10182.8, 0.0029662/step, 1.33281 hours remaining, 210.140625 MB of memory in use. ENERGY: 3382400 723.8800 2070.7357 1945.7733 118.4868 -206385.1209 17922.4188 0.0000 0.0000 34436.5542 -149167.2721 300.7430 -183603.8263 -149072.7232 299.4528 11.6647 39.6631 557894.1231 1.4052 1.4311 PRESSURE: 3382600 77.5807 68.4971 -21.4652 68.4979 276.247 50.692 -21.4649 50.6901 31.8273 GPRESSURE: 3382600 103.952 45.2121 -10.5619 74.6425 227.48 76.5687 -38.1339 41.4651 149.781 PRESSAVG: 3382600 25.8745 -17.9502 21.8866 -17.9502 66.7042 19.9445 21.8865 19.9445 -34.1329 GPRESSAVG: 3382600 26.2711 -19.835 20.4193 -18.489 66.2693 18.7477 21.0195 17.2294 -34.4793 TIMING: 3382600 CPU: 10183.4, 0.00298138/step Wall: 10183.4, 0.00298138/step, 1.33947 hours remaining, 210.140625 MB of memory in use. ENERGY: 3382600 718.5787 2122.0214 1950.7456 118.9690 -206374.4713 18013.7621 0.0000 0.0000 34208.4949 -149241.8997 298.7513 -183450.3945 -149147.0954 299.0641 128.5516 160.4044 557370.9855 19.4819 19.3537 PRESSURE: 3382800 3.60796 37.1921 95.3463 37.1917 -32.7999 13.2523 95.3462 13.2528 155.581 GPRESSURE: 3382800 23.6214 56.0494 176.086 43.1163 17.4207 -24.6875 67.8187 60.839 178.814 PRESSAVG: 3382800 -94.8752 10.9179 -13.7225 10.9179 21.7739 29.6118 -13.7224 29.6118 57.5978 GPRESSAVG: 3382800 -95.4989 9.58903 -12.9987 12.1234 22.1745 30.5252 -11.3884 31.047 57.6301 TIMING: 3382800 CPU: 10184, 0.00297229/step Wall: 10184, 0.00297229/step, 1.33522 hours remaining, 210.296875 MB of memory in use. ENERGY: 3382800 761.5525 2066.5228 1924.6000 120.8171 -206463.9018 17953.9072 0.0000 0.0000 34421.2773 -149215.2249 300.6096 -183636.5022 -149113.5076 299.4555 42.1296 73.2853 557137.1743 -5.1678 -5.2314 PRESSURE: 3383000 -282.936 52.1927 -135.54 52.1931 38.9234 89.3101 -135.539 89.3095 -108.616 GPRESSURE: 3383000 -248.565 141.187 -110.842 -71.2698 67.6676 158.968 -203.422 137.95 -82.2829 PRESSAVG: 3383000 -6.16355 17.1819 -2.40384 17.1819 5.20258 56.9736 -2.40382 56.9737 -20.4114 GPRESSAVG: 3383000 -6.48695 20.2456 -0.748853 15.9254 5.34114 59.2638 -6.24764 56.4927 -20.0033 TIMING: 3383000 CPU: 10184.6, 0.00296995/step Wall: 10184.6, 0.00296995/step, 1.334 hours remaining, 210.296875 MB of memory in use. ENERGY: 3383000 756.6634 2131.5651 1972.7140 112.5202 -205877.4019 17617.9657 0.0000 0.0000 34366.2538 -148919.7197 300.1290 -183285.9734 -148829.6064 300.1872 -117.5428 -87.7269 557495.0568 -7.1241 -7.0497 PRESSURE: 3383200 92.4179 -115.465 70.1538 -115.465 11.6822 27.3757 70.1531 27.3751 59.8141 GPRESSURE: 3383200 194.781 -60.7095 111.719 -81.0371 33.8947 -126.481 -0.210838 67.8478 35.1344 PRESSAVG: 3383200 -31.0723 0.227875 -19.6565 0.227926 68.4263 38.7193 -19.6567 38.7193 -15.0248 GPRESSAVG: 3383200 -30.5532 -2.51955 -19.5159 2.54364 68.5382 35.2816 -19.6312 39.3777 -15.0164 TIMING: 3383200 CPU: 10185.2, 0.00295947/step Wall: 10185.2, 0.00295947/step, 1.32913 hours remaining, 210.296875 MB of memory in use. ENERGY: 3383200 740.6965 2130.1565 1929.5686 113.2956 -206301.7910 18045.6750 0.0000 0.0000 34275.0348 -149067.3641 299.3324 -183342.3988 -148967.0677 300.5230 54.6381 87.9368 557987.5207 7.4431 7.6562 PRESSURE: 3383400 71.1611 -17.0786 36.1449 -17.0786 -12.6725 -2.9033 36.1433 -2.90173 -170.005 GPRESSURE: 3383400 164.809 -17.4838 -24.9019 -45.2209 0.0608971 -92.3484 49.6967 -40.2578 -169.177 PRESSAVG: 3383400 -10.7548 -4.56951 -26.9378 -4.56942 -21.0647 16.9941 -26.9378 16.9942 3.34031 GPRESSAVG: 3383400 -9.28298 -2.5734 -28.7502 -7.32712 -20.3892 17.5166 -24.9502 18.5115 0.86815 TIMING: 3383400 CPU: 10185.8, 0.0029936/step Wall: 10185.8, 0.0029936/step, 1.34429 hours remaining, 210.296875 MB of memory in use. ENERGY: 3383400 706.9817 2058.8515 1951.6999 106.7114 -206142.2265 17925.2912 0.0000 0.0000 34240.1186 -149152.5722 299.0275 -183392.6909 -149060.9570 299.9953 -37.1722 -1.4356 558748.6786 -9.4931 -9.6013 PRESSURE: 3383600 -36.5544 23.8373 -67.2777 23.837 -187.891 42.2863 -67.2756 42.2868 -259.759 GPRESSURE: 3383600 10.8195 -13.2771 -29.0777 44.6436 -169.36 -40.8772 -66.4098 107.692 -222.426 PRESSAVG: 3383600 26.3782 30.3648 -13.1171 30.3649 38.9672 20.6572 -13.1171 20.6573 -46.1748 GPRESSAVG: 3383600 24.556 30.2024 -14.0061 31.0439 39.2513 21.3083 -11.6 19.0856 -44.1025 TIMING: 3383600 CPU: 10186.4, 0.00298224/step Wall: 10186.4, 0.00298224/step, 1.33902 hours remaining, 210.296875 MB of memory in use. ENERGY: 3383600 784.6677 2081.1414 1935.2574 107.7996 -206155.2671 17742.4896 0.0000 0.0000 34212.8215 -149291.0899 298.7891 -183503.9114 -149198.6674 299.0966 -161.4016 -126.9888 558448.8002 6.3902 6.5683 PRESSURE: 3383800 -134.961 -82.8356 -168.225 -82.8352 -159.211 -47.1122 -168.226 -47.1127 -230.598 GPRESSURE: 3383800 -68.8514 -45.2612 -162.403 -134.597 -131.085 -128.882 -205.349 -62.5154 -229.112 PRESSAVG: 3383800 27.0343 12.8639 -26.4409 12.8638 62.0697 -9.47064 -26.441 -9.47063 -56.709 GPRESSAVG: 3383800 27.0397 9.75346 -27.1226 15.4902 61.2902 -9.76089 -27.2381 -8.7296 -55.789 TIMING: 3383800 CPU: 10187, 0.00297136/step Wall: 10187, 0.00297136/step, 1.33397 hours remaining, 210.296875 MB of memory in use. ENERGY: 3383800 747.5970 2095.4333 1908.6626 118.4800 -206169.8261 17716.7470 0.0000 0.0000 34424.3315 -149158.5747 300.6362 -183582.9062 -149059.2690 299.7025 -174.9235 -143.0165 558168.6559 10.7983 10.8470 PRESSURE: 3384000 104.933 29.2815 -39.085 29.2818 -106.514 51.2171 -39.0842 51.2159 -137.091 GPRESSURE: 3384000 124.076 9.00465 -154.536 49.1247 -67.9292 70.4725 55.2101 72.7531 -88.3979 PRESSAVG: 3384000 -33.9722 -28.7553 -21.0635 -28.7552 25.7406 -41.9638 -21.0636 -41.9638 -15.1843 GPRESSAVG: 3384000 -33.7857 -25.8471 -19.8378 -31.4579 26.1184 -43.2166 -22.2694 -43.1634 -15.4324 TIMING: 3384000 CPU: 10187.6, 0.00296611/step Wall: 10187.6, 0.00296611/step, 1.33145 hours remaining, 210.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3384000 749.6251 2115.8260 1943.6298 107.9560 -205929.0581 17738.7601 0.0000 0.0000 34002.4291 -149270.8321 296.9517 -183273.2612 -149174.6392 299.7933 -46.2240 -10.7505 558532.6629 -7.8053 -7.6999 PRESSURE: 3384200 18.4795 -37.5208 34.2528 -37.5211 43.8156 -93.6593 34.2527 -93.6613 107.218 GPRESSURE: 3384200 112.789 -70.0409 -33.2414 -91.1754 6.91547 -61.0868 88.2423 -32.1458 156.938 PRESSAVG: 3384200 -66.9605 -4.02262 -29.8876 -4.02271 -10.6166 -15.9096 -29.8876 -15.9096 39.3244 GPRESSAVG: 3384200 -66.4079 -6.80965 -28.7978 -2.8596 -11.8017 -14.2078 -30.4227 -14.2881 39.3943 TIMING: 3384200 CPU: 10188.2, 0.00297686/step Wall: 10188.2, 0.00297686/step, 1.33612 hours remaining, 210.296875 MB of memory in use. ENERGY: 3384200 731.1298 2109.8577 1977.7959 111.5904 -206252.8645 17865.1244 0.0000 0.0000 34314.0233 -149143.3430 299.6729 -183457.3663 -149052.4811 299.1997 56.5045 92.2143 556281.6085 -12.7509 -12.9385 LDB: ============= START OF LOAD BALANCING ============== 10191.7 LDB: ============== END OF LOAD BALANCING =============== 10191.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10191.7 LDB: ============= START OF LOAD BALANCING ============== 10192 LDB: Largest compute 4802 load 0.028892 is 24.5% of average load 0.118159 LDB: Average compute 0.001739 is 1.5% of average load 0.118159 LDB: TIME 10192 LOAD: AVG 0.118159 MAX 0.205941 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.406 MB LDB: TIME 10192 LOAD: AVG 0.118159 MAX 0.205941 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.609 MB LDB: TIME 10192 LOAD: AVG 0.118159 MAX 0.205941 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.609 MB LDB: ============== END OF LOAD BALANCING =============== 10192 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10192 PRESSURE: 3384400 -136.945 31.1127 63.2273 31.1117 121.116 67.3729 63.227 67.3719 -154.354 GPRESSURE: 3384400 -100.458 -9.20788 130.332 18.6037 178.431 108.861 87.4798 64.1356 -157.898 PRESSAVG: 3384400 -15.1118 -20.1702 54.4372 -20.1701 -17.2665 22.0464 54.4372 22.0463 12.4008 GPRESSAVG: 3384400 -15.7127 -20.0434 54.3695 -20.8041 -16.312 22.0227 55.7127 19.8329 12.117 TIMING: 3384400 CPU: 10188.8, 0.00298457/step Wall: 10188.8, 0.00298457/step, 1.33941 hours remaining, 207.714844 MB of memory in use. ENERGY: 3384400 733.0740 2082.7749 1950.7952 115.6089 -205895.0963 17582.0682 0.0000 0.0000 34285.2165 -149145.5585 299.4213 -183430.7751 -149049.7409 299.7292 -56.7276 -26.6414 557362.0345 -6.6592 -6.6359 PRESSURE: 3384600 1.11193 48.147 -97.4771 48.1482 -173.816 46.4549 -97.4773 46.4558 -37.8102 GPRESSURE: 3384600 74.6655 18.9243 -242.466 95.1047 -119.764 130.839 -60.7441 74.3806 -73.4148 PRESSAVG: 3384600 8.09243 41.4312 -16.3279 41.4313 -18.1327 29.0178 -16.3278 29.0177 -22.166 GPRESSAVG: 3384600 9.31984 42.9509 -19.5733 42.5838 -18.4593 29.1744 -15.8499 30.9945 -23.1548 TIMING: 3384600 CPU: 10189.4, 0.00296938/step Wall: 10189.4, 0.00296938/step, 1.33243 hours remaining, 207.917969 MB of memory in use. ENERGY: 3384600 801.4946 2132.9413 1915.6526 122.3221 -205775.0371 17530.8670 0.0000 0.0000 34151.9768 -149119.7827 298.2577 -183271.7595 -149027.6846 298.9626 -70.1713 -39.5044 556350.7417 -10.7354 -10.7647 PRESSURE: 3384800 -65.8135 -49.094 15.382 -49.0934 -6.59026 168.609 15.3813 168.609 96.4673 GPRESSURE: 3384800 -72.894 -54.1664 40.4308 -136.522 70.1795 61.0979 -18.8471 149.189 134.356 PRESSAVG: 3384800 -12.7928 -7.50405 24.054 -7.50399 -14.7303 29.3499 24.054 29.3499 52.8914 GPRESSAVG: 3384800 -12.7431 -7.13571 25.2243 -8.58904 -15.708 27.5011 23.0632 30.6187 54.2541 TIMING: 3384800 CPU: 10190, 0.00295937/step Wall: 10190, 0.00295937/step, 1.32777 hours remaining, 207.917969 MB of memory in use. ENERGY: 3384800 709.6951 2083.2919 1955.2998 105.2424 -206247.7862 17841.0876 0.0000 0.0000 34313.6800 -149239.4893 299.6699 -183553.1694 -149150.0321 299.6217 8.0212 43.8807 558197.6493 8.4561 8.6010 PRESSURE: 3385000 68.3694 -0.206717 -192.903 -0.206015 159.754 -70.1119 -192.903 -70.1119 207.894 GPRESSURE: 3385000 92.2091 61.6731 -207.691 -25.6093 222.871 -17.5808 -175.11 -102.774 207.5 PRESSAVG: 3385000 -82.5776 -17.9716 -28.088 -17.9715 -0.257327 -23.5078 -28.088 -23.5078 53.3764 GPRESSAVG: 3385000 -83.2491 -17.6303 -27.3029 -16.4085 1.45367 -21.4821 -26.7803 -25.6684 52.0592 TIMING: 3385000 CPU: 10190.6, 0.00300681/step Wall: 10190.6, 0.00300681/step, 1.34889 hours remaining, 207.917969 MB of memory in use. ENERGY: 3385000 737.7268 2023.9220 1926.3664 114.5330 -206318.7896 17970.3024 0.0000 0.0000 34249.2658 -149296.6733 299.1074 -183545.9391 -149202.4490 299.3522 145.3389 174.1932 555465.5105 -9.8195 -9.9121 PRESSURE: 3385200 -142.799 -170.612 -53.2311 -170.612 -169.995 -100.434 -53.2307 -100.434 26.4752 GPRESSURE: 3385200 -71.8241 -82.3915 21.4383 -158.677 -153.792 -93.1125 -19.4699 -116.848 33.1266 PRESSAVG: 3385200 -78.6178 28.8549 -30.5767 28.8549 86.0695 36.0143 -30.5767 36.0142 3.89358 GPRESSAVG: 3385200 -77.8911 27.9687 -29.7392 28.8113 85.9595 35.9193 -29.4301 35.7066 3.22442 TIMING: 3385200 CPU: 10191.2, 0.00304092/step Wall: 10191.2, 0.00304092/step, 1.36402 hours remaining, 207.917969 MB of memory in use. ENERGY: 3385200 740.7419 2059.8020 1923.5420 103.6005 -206310.4391 17675.8569 0.0000 0.0000 34348.2419 -149458.6538 299.9717 -183806.8957 -149365.6185 298.3814 -95.4395 -64.1632 555948.1184 3.7817 3.7643 PRESSURE: 3385400 295.489 97.0253 71.7716 97.026 224.065 253.276 71.7721 253.275 262.703 GPRESSURE: 3385400 305.371 39.9192 42.3113 187.386 221.487 315.179 143.604 156.94 352.215 PRESSAVG: 3385400 -60.9067 39.9617 -1.06701 39.9617 144.827 28.7687 -1.06691 28.7686 -40.4708 GPRESSAVG: 3385400 -60.8464 40.5599 -3.19024 38.6126 144.52 30.0183 -1.05307 27.5717 -40.493 TIMING: 3385400 CPU: 10191.8, 0.00303176/step Wall: 10191.8, 0.00303176/step, 1.35975 hours remaining, 207.917969 MB of memory in use. ENERGY: 3385400 748.5899 2025.7609 1922.8344 110.9296 -206872.9033 18185.7434 0.0000 0.0000 34340.7317 -149538.3135 299.9062 -183879.0452 -149444.8919 298.2520 260.7525 293.0243 555075.1198 14.4831 14.3934 PRESSURE: 3385600 -316.904 -81.7597 123.618 -81.7618 -112.85 -17.9679 123.618 -17.9664 -87.1146 GPRESSURE: 3385600 -296.109 -127.459 178.117 -40.7906 -95.9959 -103.715 43.8686 6.5636 -32.3842 PRESSAVG: 3385600 -0.812629 -9.25601 19.5953 -9.25598 38.6201 29.5708 19.5953 29.5709 -14.8736 GPRESSAVG: 3385600 -1.42461 -11.4583 19.9322 -6.32639 37.4943 27.7329 19.8301 31.2717 -13.8979 TIMING: 3385600 CPU: 10192.4, 0.0030411/step Wall: 10192.4, 0.0030411/step, 1.36377 hours remaining, 207.917969 MB of memory in use. ENERGY: 3385600 760.8723 2049.9367 1928.1447 117.1160 -206130.9980 17522.4528 0.0000 0.0000 34164.9855 -149587.4900 298.3713 -183752.4755 -149492.5055 298.6793 -172.2898 -141.4962 555525.4721 7.6446 7.3906 PRESSURE: 3385800 -218.666 22.7293 27.418 22.7288 -25.9433 19.8195 27.4167 19.8173 -239.842 GPRESSURE: 3385800 -204.052 11.2821 51.8981 67.9089 33.5012 71.9076 -12.9097 5.18853 -205.668 PRESSAVG: 3385800 -7.22352 -19.9228 36.01 -19.9228 16.0087 -15.9036 36.0099 -15.9036 19.3282 GPRESSAVG: 3385800 -8.53443 -18.7931 37.9423 -21.7333 15.682 -16.8849 36.464 -15.2812 20.6638 TIMING: 3385800 CPU: 10193, 0.00305066/step Wall: 10193, 0.00305066/step, 1.36788 hours remaining, 207.917969 MB of memory in use. ENERGY: 3385800 753.9855 2085.4019 1960.6510 101.7129 -206239.4793 17663.0214 0.0000 0.0000 34184.4253 -149490.2813 298.5411 -183674.7066 -149389.7119 298.9045 -161.4835 -125.4065 556704.4146 9.3711 9.2705 PRESSURE: 3386000 107.78 79.4216 116.97 79.421 126.227 -160.374 116.97 -160.374 -149.088 GPRESSURE: 3386000 103.768 61.6372 5.9739 96.6 155.138 -206.201 203.358 -117.312 -91.3 PRESSAVG: 3386000 12.8304 -11.9574 30.5393 -11.9574 -4.84285 -21.4034 30.5393 -21.4033 22.4359 GPRESSAVG: 3386000 13.5008 -12.2067 29.7937 -11.2491 -4.00491 -20.1495 29.9594 -22.7805 20.7295 TIMING: 3386000 CPU: 10193.6, 0.00304378/step Wall: 10193.6, 0.00304378/step, 1.36463 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: 3386000 718.0175 2068.9238 1950.7184 107.5156 -206343.9570 17774.3191 0.0000 0.0000 34345.7102 -149378.7522 299.9496 -183724.4625 -149279.9176 298.7286 28.3063 55.8687 557209.2189 10.1411 10.0751 PRESSURE: 3386200 -65.3736 44.5656 100.749 44.5647 36.7492 -127.706 100.749 -127.707 134.462 GPRESSURE: 3386200 -37.0099 -67.1288 31.7423 58.936 67.5643 -114.096 105.631 -34.5346 172.037 PRESSAVG: 3386200 37.208 -13.5613 -15.5578 -13.5614 -1.1216 -37.0816 -15.5579 -37.0817 8.15436 GPRESSAVG: 3386200 36.9945 -12.5735 -13.7073 -13.0687 -1.7074 -35.6136 -16.0759 -36.0756 8.94424 TIMING: 3386200 CPU: 10194.2, 0.00298574/step Wall: 10194.2, 0.00298574/step, 1.33844 hours remaining, 207.917969 MB of memory in use. ENERGY: 3386200 729.1785 2028.2958 1950.3231 118.1673 -206288.6869 17847.6540 0.0000 0.0000 34350.0860 -149264.9823 299.9878 -183615.0683 -149177.2608 299.2473 35.2791 67.5304 555226.4334 14.7469 14.7438 PRESSURE: 3386400 -160.412 -103.923 15.157 -103.923 -5.54086 -115.231 15.1572 -115.229 9.13523 GPRESSURE: 3386400 -156.612 -178.265 48.1748 -124.448 45.125 -122.72 -110.643 -84.2602 54.3708 PRESSAVG: 3386400 -36.7666 39.0584 -70.0388 39.0585 40.2728 -46.9475 -70.0388 -46.9476 -5.86022 GPRESSAVG: 3386400 -37.2793 39.5878 -71.2414 38.4557 40.6672 -47.9065 -70.1922 -47.2827 -5.68228 TIMING: 3386400 CPU: 10194.8, 0.0030107/step Wall: 10194.8, 0.0030107/step, 1.34946 hours remaining, 207.917969 MB of memory in use. ENERGY: 3386400 699.7223 2065.4868 1940.9778 106.5772 -205701.1010 17535.3789 0.0000 0.0000 34185.5999 -149167.3581 298.5513 -183352.9580 -149065.9596 298.6014 -52.2725 -19.0387 554835.9034 -0.7847 -0.7648 PRESSURE: 3386600 -214.567 140.205 -12.6481 140.205 -160.325 -71.7656 -12.6476 -71.7654 -63.7683 GPRESSURE: 3386600 -142.203 125.031 41.9354 203.88 -138.393 -23.7363 -18.356 -45.2265 -62.5436 PRESSAVG: 3386600 -9.8551 91.4795 -55.3934 91.4795 6.08265 -30.7725 -55.3933 -30.7724 37.9995 GPRESSAVG: 3386600 -9.43254 90.8731 -55.0673 89.6208 5.33487 -29.2645 -55.3967 -32.1986 38.2426 TIMING: 3386600 CPU: 10195.4, 0.00301902/step Wall: 10195.4, 0.00301902/step, 1.35302 hours remaining, 207.917969 MB of memory in use. ENERGY: 3386600 731.4744 2091.6467 1947.5287 115.6369 -205838.6730 17356.6165 0.0000 0.0000 34508.3688 -149087.4010 301.3702 -183595.7698 -148991.9726 300.0105 -146.2200 -114.3801 556123.0958 11.4090 11.3816 PRESSURE: 3386800 -175.491 -113.621 147.698 -113.62 72.0365 -36.4901 147.699 -36.4893 262.442 GPRESSURE: 3386800 -115.973 -83.7618 127.301 -10.6077 85.2212 -47.1906 108.885 -31.0708 289.685 PRESSAVG: 3386800 -46.0664 34.8319 3.28784 34.832 33.3486 -86.8945 3.2879 -86.8946 79.7564 GPRESSAVG: 3386800 -45.0872 32.7443 1.22053 37.3807 33.0823 -87.9149 5.61689 -85.8182 78.8912 TIMING: 3386800 CPU: 10196, 0.00299536/step Wall: 10196, 0.00299536/step, 1.34225 hours remaining, 207.917969 MB of memory in use. ENERGY: 3386800 732.7332 2096.8202 1912.4181 107.1107 -205954.5759 17858.0930 0.0000 0.0000 34132.5878 -149114.8129 298.0884 -183247.4007 -149019.3229 300.4897 52.9956 86.3110 556212.8983 22.3462 22.2954 PRESSURE: 3387000 -45.989 100.57 -65.7761 100.572 199.568 51.9965 -65.7764 51.9959 -203.262 GPRESSURE: 3387000 -46.9215 138.389 10.2169 40.4815 241.018 80.902 -72.457 -40.0877 -157.05 PRESSAVG: 3387000 -29.3531 16.4952 -47.3441 16.4951 -9.2745 -4.75977 -47.3441 -4.75974 14.2009 GPRESSAVG: 3387000 -29.8906 19.7652 -47.924 13.1212 -7.9577 -5.7388 -48.6756 -5.03934 13.8491 TIMING: 3387000 CPU: 10196.6, 0.00302633/step Wall: 10196.6, 0.00302633/step, 1.35597 hours remaining, 207.917969 MB of memory in use. ENERGY: 3387000 738.0086 2159.9444 1929.5471 108.7804 -206092.1225 17770.7871 0.0000 0.0000 34148.4813 -149236.5735 298.2272 -183385.0549 -149140.7459 300.0692 -16.5609 12.3487 556881.9069 -8.1422 -7.9997 PRESSURE: 3387200 -124.86 -28.5792 117.999 -28.579 -258.643 -107.588 117.998 -107.586 -259.899 GPRESSURE: 3387200 -127.477 -51.8726 138.559 -62.8056 -233.759 2.39895 124.825 -152.951 -172.17 PRESSAVG: 3387200 25.8327 -38.7281 8.14245 -38.7281 -53.8051 24.8249 8.14242 24.8249 20.2902 GPRESSAVG: 3387200 26.2907 -39.9744 10.6524 -38.3794 -53.8161 27.1468 6.20183 24.5442 20.4655 TIMING: 3387200 CPU: 10197.2, 0.00299589/step Wall: 10197.2, 0.00299589/step, 1.34216 hours remaining, 207.917969 MB of memory in use. ENERGY: 3387200 778.8718 2040.1744 1939.6780 117.4310 -206000.3017 17475.9149 0.0000 0.0000 34524.4178 -149123.8139 301.5103 -183648.2316 -149024.0567 298.9390 -214.4675 -177.8020 557202.9234 -2.5607 -2.3533 PRESSURE: 3387400 49.0941 -33.394 18.1602 -33.3945 -85.5017 -20.1053 18.1612 -20.1046 36.2932 GPRESSURE: 3387400 85.2746 -42.9438 11.7162 58.6587 -37.9705 -57.0353 -36.2541 -34.0759 36.6059 PRESSAVG: 3387400 26.251 25.3507 -41.7909 25.3507 -62.8853 9.70055 -41.7908 9.70051 38.4543 GPRESSAVG: 3387400 26.5682 23.508 -41.4829 26.6141 -63.0464 8.97965 -40.7833 8.19197 38.3976 TIMING: 3387400 CPU: 10197.8, 0.00300055/step Wall: 10197.8, 0.00300055/step, 1.34408 hours remaining, 207.917969 MB of memory in use. ENERGY: 3387400 768.1326 2064.8061 1933.8891 118.5690 -206044.9187 17737.3252 0.0000 0.0000 34255.7317 -149166.4650 299.1638 -183422.1967 -149065.1868 299.4229 -0.0381 27.9700 556808.2666 0.6067 0.6398 PRESSURE: 3387600 -199.457 2.79832 221.898 2.79795 115.574 109.62 221.899 109.62 -66.2168 GPRESSURE: 3387600 -159.988 -8.13529 155.918 57.4704 120.521 123.925 264.184 44.6298 -15.3859 PRESSAVG: 3387600 6.33975 13.0586 20.2058 13.0586 -19.7769 12.4762 20.2058 12.4762 23.7419 GPRESSAVG: 3387600 4.7523 13.3967 17.8312 13.7364 -20.0888 9.8517 19.9854 14.8785 25.2068 TIMING: 3387600 CPU: 10198.4, 0.00298853/step Wall: 10198.4, 0.00298853/step, 1.33853 hours remaining, 207.917969 MB of memory in use. ENERGY: 3387600 750.3031 2051.8175 1939.8392 111.5757 -205498.2970 17466.6239 0.0000 0.0000 34195.5464 -148982.5912 298.6382 -183178.1376 -148880.1087 299.8261 -50.0331 -18.2843 555915.4241 3.4349 3.2901 PRESSURE: 3387800 -29.969 294.672 -102.398 294.671 -18.2288 -14.2281 -102.397 -14.2288 -144.545 GPRESSURE: 3387800 -56.2499 199.244 -62.0251 247.892 47.2181 44.8734 -114.367 -102.062 -91.6112 PRESSAVG: 3387800 0.784791 86.4506 7.12904 86.4507 35.7033 2.52416 7.12909 2.52399 27.1315 GPRESSAVG: 3387800 1.36969 88.2892 8.97295 85.5578 35.8035 4.21381 7.98511 1.13348 26.1593 TIMING: 3387800 CPU: 10199, 0.00299797/step Wall: 10199, 0.00299797/step, 1.34259 hours remaining, 207.917969 MB of memory in use. ENERGY: 3387800 779.8360 2077.6776 1944.0468 101.2361 -205840.1041 17705.2343 0.0000 0.0000 34377.6456 -148854.4276 300.2285 -183232.0732 -148763.2631 300.0718 -64.2477 -33.5477 557723.3832 21.2065 21.1108 PRESSURE: 3388000 -178.632 144.586 142.693 144.586 -35.2843 150.419 142.693 150.418 -244.969 GPRESSURE: 3388000 -177.262 178.55 180.492 86.0439 -17.6575 155.31 96.444 143.302 -172.578 PRESSAVG: 3388000 -39.1481 63.2243 30.0741 63.2243 26.4911 -24.1152 30.0742 -24.1153 -9.4533 GPRESSAVG: 3388000 -39.6238 64.2535 28.8602 61.1487 25.8755 -23.9404 31.1983 -24.2546 -8.1005 TIMING: 3388000 CPU: 10199.6, 0.0029718/step Wall: 10199.6, 0.0029718/step, 1.33071 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: 3388000 762.7151 2083.7942 1948.2285 105.3812 -205558.2712 17528.4575 0.0000 0.0000 34063.3382 -149066.3565 297.4836 -183129.6947 -148966.6560 300.7122 -152.9617 -122.4992 558088.4137 -7.3701 -7.2829 PRESSURE: 3388200 69.2379 -77.4772 95.1488 -77.4771 -168.134 -145.825 95.1486 -145.825 -48.6226 GPRESSURE: 3388200 66.6031 14.9731 106.722 -50.1274 -96.8182 -191.467 136.495 -134.025 -13.9218 PRESSAVG: 3388200 -29.6165 -11.6032 39.5431 -11.6031 30.1317 -23.7717 39.5431 -23.7717 26.4221 GPRESSAVG: 3388200 -29.3401 -12.548 40.5783 -9.92198 31.714 -23.193 38.7678 -22.5744 25.0441 TIMING: 3388200 CPU: 10200.2, 0.0029825/step Wall: 10200.2, 0.0029825/step, 1.33533 hours remaining, 207.917969 MB of memory in use. ENERGY: 3388200 785.3435 2098.9260 1962.2295 114.8910 -206390.0175 17830.5491 0.0000 0.0000 34234.7645 -149363.3140 298.9807 -183598.0785 -149261.5548 300.2316 -49.1728 -14.7123 556781.0594 8.9791 9.1394 LDB: ============= START OF LOAD BALANCING ============== 10203.7 LDB: ============== END OF LOAD BALANCING =============== 10203.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10203.7 LDB: ============= START OF LOAD BALANCING ============== 10204 LDB: Largest compute 4802 load 0.029243 is 24.8% of average load 0.118146 LDB: Average compute 0.001738 is 1.5% of average load 0.118146 LDB: TIME 10204 LOAD: AVG 0.118146 MAX 0.205094 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.023 MB LDB: TIME 10204 LOAD: AVG 0.118146 MAX 0.205094 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.027 MB LDB: TIME 10204 LOAD: AVG 0.118146 MAX 0.205094 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.027 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10204 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10204 PRESSURE: 3388400 -76.1916 81.0744 83.9212 81.0746 -125.323 86.1989 83.9208 86.1991 -268.946 GPRESSURE: 3388400 -89.9919 93.4447 47.8737 52.4924 -78.3618 113.049 71.539 92.6923 -216.936 PRESSAVG: 3388400 9.85098 40.0625 41.9596 40.0625 -0.278873 -1.39303 41.9595 -1.39296 -18.0561 GPRESSAVG: 3388400 10.2062 38.6818 40.3036 39.8001 -0.295083 0.728412 42.5721 -2.46959 -18.2363 TIMING: 3388400 CPU: 10200.8, 0.00302639/step Wall: 10200.8, 0.00302639/step, 1.35481 hours remaining, 208.996094 MB of memory in use. ENERGY: 3388400 767.8708 2101.6486 1929.9870 108.5080 -205834.6047 17434.5898 0.0000 0.0000 34228.7702 -149263.2304 298.9284 -183492.0006 -149158.4998 299.0245 -156.8203 -128.4298 559084.4875 -2.8280 -2.7751 PRESSURE: 3388600 -81.6138 -170.664 71.7678 -170.664 -103.979 -45.1033 71.7676 -45.1028 -70.0884 GPRESSURE: 3388600 -60.4591 -268.917 108.721 -221.405 -33.87 -59.389 81.2966 -32.2162 -69.3918 PRESSAVG: 3388600 -16.5195 -48.5574 17.9447 -48.5574 -46.4209 69.6219 17.9448 69.6218 31.4223 GPRESSAVG: 3388600 -16.0043 -46.8417 22.2026 -49.9481 -46.6619 67.9107 15.3656 70.5424 30.7714 TIMING: 3388600 CPU: 10201.4, 0.00298305/step Wall: 10201.4, 0.00298305/step, 1.33525 hours remaining, 209.105469 MB of memory in use. ENERGY: 3388600 743.1048 2085.7947 1947.2395 134.4263 -206249.2379 17779.8055 0.0000 0.0000 34252.0442 -149306.8229 299.1316 -183558.8671 -149210.6995 298.9983 -85.2269 -54.5736 556855.1407 -10.5060 -10.6316 PRESSURE: 3388800 -150.838 -72.9841 262.873 -72.9851 -125.719 19.8073 262.874 19.8077 173.836 GPRESSURE: 3388800 -88.0546 -80.0746 246.957 -55.1355 -92.6827 -6.54685 259.332 44.7769 177.797 PRESSAVG: 3388800 -14.9011 -38.4064 25.0545 -38.4064 18.4572 45.9048 25.0545 45.9049 -29.5881 GPRESSAVG: 3388800 -14.4998 -39.9809 21.7141 -37.4787 17.0523 47.7449 28.3351 44.7636 -28.3965 TIMING: 3388800 CPU: 10202, 0.00302835/step Wall: 10202, 0.00302835/step, 1.35536 hours remaining, 209.105469 MB of memory in use. ENERGY: 3388800 723.1785 2057.8145 1930.2589 107.7179 -206176.1403 17841.1195 0.0000 0.0000 34030.3456 -149485.7054 297.1955 -183516.0510 -149383.8898 298.9461 -34.2401 -0.9800 557545.4867 -8.6773 -8.6147 PRESSURE: 3389000 -269.095 -91.7261 93.2272 -91.7253 -151.274 3.5659 93.2271 3.5649 -286.254 GPRESSURE: 3389000 -229.067 -124.744 14.3984 -88.1398 -94.3346 136.016 141.937 -79.8039 -271.747 PRESSAVG: 3389000 -0.282804 -42.3923 72.2215 -42.3924 22.4925 -1.91117 72.2215 -1.91125 -21.0806 GPRESSAVG: 3389000 -0.191907 -43.9639 71.4279 -40.8963 23.4214 -6.26867 73.1015 -1.72164 -22.1522 TIMING: 3389000 CPU: 10202.6, 0.00301625/step Wall: 10202.6, 0.00301625/step, 1.34977 hours remaining, 209.105469 MB of memory in use. ENERGY: 3389000 736.2690 2073.8356 1915.6547 119.3290 -205827.4726 17349.3058 0.0000 0.0000 34149.3363 -149483.7422 298.2346 -183633.0785 -149390.4166 298.4164 -235.5412 -198.3828 555705.5677 0.3764 0.3591 PRESSURE: 3389200 -122.7 118.188 79.7177 118.189 154.017 -145.711 79.7175 -145.711 -52.4714 GPRESSURE: 3389200 -52.7542 154.24 102.79 77.8582 153.999 -154.103 42.2733 -102.57 -22.0017 PRESSAVG: 3389200 30.0646 19.7504 35.3677 19.7503 46.5236 -26.5781 35.3677 -26.5782 -59.6891 GPRESSAVG: 3389200 30.0226 22.9591 35.4159 17.6848 46.2039 -25.7497 33.8582 -23.701 -59.8032 TIMING: 3389200 CPU: 10203.2, 0.00297303/step Wall: 10203.2, 0.00297303/step, 1.33027 hours remaining, 209.105469 MB of memory in use. ENERGY: 3389200 760.9073 2073.3967 1926.8902 108.7342 -206420.2943 17889.7950 0.0000 0.0000 34197.1195 -149463.4515 298.6520 -183660.5710 -149369.7016 297.4720 -7.0516 26.4145 557345.8637 5.6330 5.4745 PRESSURE: 3389400 79.666 -12.7107 -148.472 -12.7096 188.387 -53.1858 -148.473 -53.1846 -108.865 GPRESSURE: 3389400 93.273 -0.602013 -158.428 -36.3694 219.746 -76.0152 -136.964 -98.8625 -49.7053 PRESSAVG: 3389400 2.67048 -9.94259 26.4517 -9.94264 -25.9354 -10.0347 26.4516 -10.0347 -0.124932 GPRESSAVG: 3389400 2.13663 -10.2716 25.9097 -7.58142 -26.4754 -7.03998 25.4387 -13.3546 0.998487 TIMING: 3389400 CPU: 10203.8, 0.00296965/step Wall: 10203.8, 0.00296965/step, 1.32859 hours remaining, 209.105469 MB of memory in use. ENERGY: 3389400 753.7417 2063.0160 1955.4269 106.2824 -206210.3482 17785.0088 0.0000 0.0000 34076.8269 -149470.0454 297.6014 -183546.8723 -149372.3637 298.3829 53.0626 87.7712 556389.0892 -7.7966 -7.7801 PRESSURE: 3389600 -199.267 -134.288 9.21662 -134.29 -273.622 111.948 9.216 111.948 -449.814 GPRESSURE: 3389600 -147.526 -114.277 0.680788 -147.737 -259.563 212.808 2.99251 38.6658 -410.261 PRESSAVG: 3389600 8.4875 -43.8986 29.0613 -43.8986 7.31401 -25.2138 29.0612 -25.2138 -33.4758 GPRESSAVG: 3389600 8.5957 -43.8016 31.4308 -46.1686 7.02414 -25.577 30.3233 -25.455 -33.5925 TIMING: 3389600 CPU: 10204.4, 0.00299402/step Wall: 10204.4, 0.00299402/step, 1.33932 hours remaining, 209.105469 MB of memory in use. ENERGY: 3389600 787.4497 2104.2973 1976.2083 97.2099 -205833.3811 17279.5602 0.0000 0.0000 34196.8102 -149391.8456 298.6492 -183588.6557 -149291.5175 299.0079 -307.5679 -272.4503 556373.2468 -5.8914 -5.9909 PRESSURE: 3389800 -284.982 -13.3998 25.2987 -13.3996 -48.5976 -34.5999 25.2982 -34.5997 -229.014 GPRESSURE: 3389800 -257.865 -110.882 -86.6002 92.6477 -0.683396 -17.5763 67.4142 14.7776 -209.176 PRESSAVG: 3389800 -14.5719 40.541 26.4135 40.541 -13.2152 37.0541 26.4135 37.0541 -14.7869 GPRESSAVG: 3389800 -13.8526 38.0949 24.705 41.6055 -13.4015 36.0377 25.0337 39.3075 -15.1548 TIMING: 3389800 CPU: 10205, 0.00296872/step Wall: 10205, 0.00296872/step, 1.32784 hours remaining, 209.105469 MB of memory in use. ENERGY: 3389800 756.4061 2079.7344 1948.7548 116.3289 -205809.1790 17460.8848 0.0000 0.0000 34314.8728 -149132.1972 299.6803 -183447.0699 -149040.7941 299.4702 -187.5311 -155.9082 557381.8923 -14.1913 -14.1363 PRESSURE: 3390000 -243.883 -87.585 35.0844 -87.586 133.693 -144.142 35.0849 -144.141 -41.2549 GPRESSURE: 3390000 -199.445 -165.468 138.805 -8.0746 158.56 -132.476 -13.9313 -177.119 -23.1847 PRESSAVG: 3390000 -18.3041 -53.783 -18.946 -53.7829 59.7742 25.062 -18.9461 25.062 -15.2534 GPRESSAVG: 3390000 -17.8341 -52.7796 -18.8176 -54.112 60.3566 25.2021 -16.2663 22.6011 -15.086 TIMING: 3390000 CPU: 10205.6, 0.00298422/step Wall: 10205.6, 0.00298422/step, 1.33461 hours remaining, 209.105469 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: 3390000 758.5839 2131.4874 1920.5287 133.2542 -205976.0224 17703.9594 0.0000 0.0000 34454.9568 -148873.2520 300.9037 -183328.2087 -148774.8219 300.1466 -50.4815 -21.3564 557193.4517 8.7389 9.1455 PRESSURE: 3390200 191.959 -22.0806 96.5697 -22.0805 -157.589 80.2577 96.5688 80.2576 6.29507 GPRESSURE: 3390200 218.88 82.6555 129.062 -34.3296 -129.183 98.4204 112.664 92.2978 54.3567 PRESSAVG: 3390200 -25.0574 13.2162 -31.9289 13.2161 21.2831 -2.89741 -31.9289 -2.89747 -16.0384 GPRESSAVG: 3390200 -25.592 15.3523 -31.0212 10.7696 21.8056 -1.1746 -34.4068 -2.06016 -15.8292 TIMING: 3390200 CPU: 10206.2, 0.00301444/step Wall: 10206.2, 0.00301444/step, 1.34796 hours remaining, 209.105469 MB of memory in use. ENERGY: 3390200 761.9713 2100.3635 1929.0442 110.6179 -206122.5132 17881.6712 0.0000 0.0000 34467.8048 -148871.0403 301.0159 -183338.8451 -148771.2926 300.1053 13.5548 48.0177 557848.2917 -6.6042 -6.5385 PRESSURE: 3390400 240 224.809 -83.166 224.811 99.9469 -17.9169 -83.1652 -17.9184 107.261 GPRESSURE: 3390400 232.504 239.791 -34.3272 266.565 149.823 -63.159 -125.213 7.67601 148.144 PRESSAVG: 3390400 -85.9038 36.6257 -17.6932 36.6257 4.56721 25.4157 -17.6933 25.4157 32.0993 GPRESSAVG: 3390400 -86.2155 33.5106 -15.7512 40.8178 4.12942 23.5234 -16.8772 26.8564 32.9269 TIMING: 3390400 CPU: 10206.8, 0.00295971/step Wall: 10206.8, 0.00295971/step, 1.32332 hours remaining, 209.105469 MB of memory in use. ENERGY: 3390400 763.3564 2130.6040 1955.8089 126.9311 -206384.5735 18164.5989 0.0000 0.0000 34285.7172 -148957.5570 299.4257 -183243.2742 -148875.8427 300.0342 149.0693 176.8238 558136.0399 -16.4124 -16.3864 PRESSURE: 3390600 27.8696 -33.364 127.093 -33.3637 51.6299 7.14886 127.093 7.14904 -47.272 GPRESSURE: 3390600 -16.7608 -130.497 3.91096 -40.3591 73.7715 7.82382 159.668 35.628 59.6216 PRESSAVG: 3390600 -111.258 39.4101 23.4323 39.4101 104.134 19.2611 23.4324 19.2612 30.7853 GPRESSAVG: 3390600 -111.167 42.5479 17.7991 35.0352 104.948 18.7809 24.8056 20.8936 29.433 TIMING: 3390600 CPU: 10207.4, 0.00296016/step Wall: 10207.4, 0.00296016/step, 1.32336 hours remaining, 209.105469 MB of memory in use. ENERGY: 3390600 731.2140 2148.3760 1956.1363 120.8910 -205908.5397 17768.9237 0.0000 0.0000 34441.5989 -148741.3999 300.7870 -183182.9987 -148642.9023 300.5313 10.7425 38.8774 558832.3163 7.8869 7.7381 PRESSURE: 3390800 94.3642 48.9195 87.9162 48.9202 -242.304 -58.1294 87.9169 -58.1286 -184.803 GPRESSURE: 3390800 100.308 142.409 183.569 -103.782 -228.964 -43.4633 33.385 -17.5063 -105.64 PRESSAVG: 3390800 22.7327 17.1121 42.7379 17.1122 6.79464 21.3899 42.7379 21.3899 -42.6173 GPRESSAVG: 3390800 21.9966 17.2426 45.7171 20.1923 6.54871 24.1035 42.5356 18.3699 -41.5594 TIMING: 3390800 CPU: 10208, 0.0029771/step Wall: 10208, 0.0029771/step, 1.33076 hours remaining, 209.105469 MB of memory in use. ENERGY: 3390800 750.7666 2165.5839 1938.2060 111.1304 -206101.4109 17795.9584 0.0000 0.0000 34438.0206 -148901.7451 300.7558 -183339.7657 -148810.1954 300.6973 -110.9143 -78.0988 558041.4681 -4.3633 -4.3381 PRESSURE: 3391000 -13.7244 -80.2695 112.387 -80.2695 -113.095 -64.9142 112.386 -64.915 121.41 GPRESSURE: 3391000 17.3361 -56.0853 103.822 -166.228 -6.84126 -47.4726 27.662 -138.793 87.9749 PRESSAVG: 3391000 -2.13543 62.8418 39.4263 62.8417 16.1947 -8.23068 39.4263 -8.23062 -5.28824 GPRESSAVG: 3391000 -1.83186 59.7602 39.8193 63.9797 15.7654 -9.43624 38.1286 -6.84195 -5.51978 TIMING: 3391000 CPU: 10208.6, 0.00296794/step Wall: 10208.6, 0.00296794/step, 1.32651 hours remaining, 209.105469 MB of memory in use. ENERGY: 3391000 740.0432 2159.7899 1968.4090 117.4367 -205917.5361 17703.3834 0.0000 0.0000 34456.9178 -148771.5562 300.9208 -183228.4739 -148671.6965 301.6634 -1.8030 32.8232 557918.7790 2.9237 2.8046 PRESSURE: 3391200 148.038 76.5414 -76.1622 76.5405 -68.7361 158.337 -76.1613 158.337 -73.2804 GPRESSURE: 3391200 191.728 167.747 -100.03 -19.4109 -18.2161 114.511 -14.0728 177.621 -76.2449 PRESSAVG: 3391200 -32.0168 20.7199 45.7572 20.7199 35.7107 -21.1656 45.7572 -21.1657 -11.7817 GPRESSAVG: 3391200 -32.1114 23.5855 45.1587 16.8403 36.4645 -23.6065 45.4534 -20.9043 -12.9267 TIMING: 3391200 CPU: 10209.2, 0.00294699/step Wall: 10209.2, 0.00294699/step, 1.31698 hours remaining, 209.105469 MB of memory in use. ENERGY: 3391200 714.9206 2087.9402 1968.4719 108.2889 -206092.7994 17857.4320 0.0000 0.0000 34435.8571 -148919.8886 300.7369 -183355.7457 -148817.5352 300.3695 2.0072 32.4223 558510.0441 -2.6959 -2.8579 PRESSURE: 3391400 302.429 -77.4444 -142.66 -77.4437 325.624 -60.0044 -142.661 -60.0055 254.99 GPRESSURE: 3391400 365.235 -85.0214 -74.2916 -73.1741 362.716 -69.9257 -102.918 -77.349 256.031 PRESSAVG: 3391400 -39.8765 16.1092 -4.68545 16.1091 -64.6688 9.53047 -4.68547 9.53039 51.5904 GPRESSAVG: 3391400 -40.6978 14.6136 -2.56846 18.329 -64.5248 10.1609 -4.33928 10.0055 51.9184 TIMING: 3391400 CPU: 10209.8, 0.00294557/step Wall: 10209.8, 0.00294557/step, 1.31618 hours remaining, 209.105469 MB of memory in use. ENERGY: 3391400 767.7714 2072.8705 1921.2696 109.7021 -206235.3263 18202.8604 0.0000 0.0000 34271.4649 -148889.3874 299.3012 -183160.8522 -148793.1224 299.9882 294.3478 327.9941 557058.9912 -17.6516 -17.7681 PRESSURE: 3391600 -147.52 -316.922 76.2444 -316.92 -183.242 -120.388 76.244 -120.387 -40.163 GPRESSURE: 3391600 -100.258 -258.759 4.31386 -317.84 -97.3732 -121.684 160.309 -47.7975 -74.5369 PRESSAVG: 3391600 -22.0713 -16.6041 43.076 -16.6042 59.3424 4.86232 43.076 4.86222 -75.5739 GPRESSAVG: 3391600 -21.6183 -13.9614 42.1042 -18.2572 59.0749 6.2286 43.1248 3.90597 -76.0397 TIMING: 3391600 CPU: 10210.4, 0.00299298/step Wall: 10210.4, 0.00299298/step, 1.3372 hours remaining, 209.105469 MB of memory in use. ENERGY: 3391600 725.2487 2134.7865 1945.3348 115.5413 -205660.7399 17495.8338 0.0000 0.0000 34507.5947 -148736.4000 301.3634 -183243.9948 -148642.7352 300.4855 -123.6416 -90.7228 558268.8502 -12.7676 -12.8610 PRESSURE: 3391800 -19.2782 -154.403 -53.847 -154.404 33.2948 32.0082 -53.8468 32.0083 -116.195 GPRESSURE: 3391800 -2.55938 -77.0312 -59.5904 -218.302 33.3973 77.8093 -43.5794 -7.41569 -41.971 PRESSAVG: 3391800 9.67544 -29.6653 17.2934 -29.6653 22.7869 16.0839 17.2934 16.0839 -11.3988 GPRESSAVG: 3391800 10.1414 -33.2193 17.1024 -28.7316 21.8123 14.2484 17.7297 17.2045 -10.7762 TIMING: 3391800 CPU: 10211, 0.00299727/step Wall: 10211, 0.00299727/step, 1.33895 hours remaining, 209.105469 MB of memory in use. ENERGY: 3391800 753.3067 2115.6424 1944.7731 118.1757 -206111.5678 17780.6511 0.0000 0.0000 34365.7479 -149033.2709 300.1246 -183399.0188 -148927.3510 299.8470 -34.0596 -3.7110 558011.5140 7.0212 7.0592 PRESSURE: 3392000 -92.7923 45.8883 34.7739 45.8891 220.16 -60.0075 34.7736 -60.0069 117.904 GPRESSURE: 3392000 -68.0653 64.8342 82.1915 65.0481 229.081 -74.9513 -19.8204 -17.9362 173.449 PRESSAVG: 3392000 -4.65067 -12.9432 40.449 -12.9432 24.9615 16.4008 40.449 16.4009 30.7871 GPRESSAVG: 3392000 -3.88699 -11.0256 40.7064 -14.2865 24.5158 17.1688 39.2009 16.271 30.609 TIMING: 3392000 CPU: 10211.6, 0.00297999/step Wall: 10211.6, 0.00297999/step, 1.33106 hours remaining, 209.164062 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: 3392000 768.7187 2110.7680 1931.7478 108.2411 -205936.2114 17727.3104 0.0000 0.0000 34319.9527 -148969.4728 299.7247 -183289.4255 -148877.9946 299.4975 81.7573 111.4882 555817.8808 17.0326 17.0793 PRESSURE: 3392200 -373.141 -18.9419 -37.3536 -18.9417 -81.5607 99.1395 -37.3529 99.1407 -21.771 GPRESSURE: 3392200 -306.235 -47.9924 31.0431 52.9013 -55.7412 75.6541 -209.896 58.7349 -16.6196 PRESSAVG: 3392200 -57.5461 20.5846 2.14574 20.5847 -10.1554 39.342 2.14572 39.3418 74.9681 GPRESSAVG: 3392200 -58.3801 19.4964 0.44128 22.3804 -9.39289 41.3045 2.62138 37.0785 74.5964 TIMING: 3392200 CPU: 10212.2, 0.00298086/step Wall: 10212.2, 0.00298086/step, 1.33129 hours remaining, 209.164062 MB of memory in use. ENERGY: 3392200 765.4995 2083.7757 1940.7343 97.5214 -205399.9676 17403.4481 0.0000 0.0000 34188.8167 -148920.1718 298.5794 -183108.9885 -148821.2802 299.8407 -158.8241 -126.1987 557207.9507 2.4222 2.2745 LDB: ============= START OF LOAD BALANCING ============== 10215.7 LDB: ============== END OF LOAD BALANCING =============== 10215.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10215.7 LDB: ============= START OF LOAD BALANCING ============== 10216 LDB: Largest compute 4802 load 0.028255 is 23.9% of average load 0.118025 LDB: Average compute 0.001732 is 1.5% of average load 0.118025 LDB: TIME 10216 LOAD: AVG 0.118025 MAX 0.206384 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.113 MB LDB: TIME 10216 LOAD: AVG 0.118025 MAX 0.206384 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.316 MB LDB: TIME 10216 LOAD: AVG 0.118025 MAX 0.206384 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.316 MB LDB: ============== END OF LOAD BALANCING =============== 10216 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10216 PRESSURE: 3392400 -203.54 101.003 68.6167 101.004 -37.2253 -14.5437 68.6174 -14.5416 49.9025 GPRESSURE: 3392400 -128.295 36.2337 58.35 125.526 -11.7186 -33.8506 79.6896 -24.2394 33.2339 PRESSAVG: 3392400 0.657562 -17.1335 35.307 -17.1334 -30.8526 13.7704 35.3069 13.7705 5.47449 GPRESSAVG: 3392400 0.150922 -18.5442 35.2997 -15.8709 -30.7122 14.1348 37.9432 15.5328 5.68306 TIMING: 3392400 CPU: 10212.8, 0.00303781/step Wall: 10212.8, 0.00303781/step, 1.35655 hours remaining, 208.875000 MB of memory in use. ENERGY: 3392400 770.5193 2115.4126 1915.3736 107.1220 -205821.4711 17584.0286 0.0000 0.0000 34538.1837 -148790.8315 301.6305 -183329.0152 -148699.2854 300.4545 -63.6211 -35.5931 556475.9015 -8.2402 -8.2927 PRESSURE: 3392600 -267.341 246.053 -13.1548 246.054 5.37499 -2.79577 -13.1543 -2.79739 32.205 GPRESSURE: 3392600 -243.486 271.565 -19.5504 175.243 22.9996 23.9695 17.3253 19.4952 90.1787 PRESSAVG: 3392600 -56.4592 -14.9826 40.3222 -14.9826 26.1081 -20.0795 40.3223 -20.0796 49.0877 GPRESSAVG: 3392600 -56.9786 -14.6387 43.4143 -15.7423 26.3242 -20.2353 37.4344 -20.2327 49.4741 TIMING: 3392600 CPU: 10213.4, 0.00299407/step Wall: 10213.4, 0.00299407/step, 1.33685 hours remaining, 208.875000 MB of memory in use. ENERGY: 3392600 777.2042 2044.5635 1927.2612 104.9966 -205850.8378 17669.4089 0.0000 0.0000 34227.5840 -149099.8194 298.9180 -183327.4034 -148998.7013 300.1383 -76.5871 -43.4360 556527.0269 6.2455 6.2732 PRESSURE: 3392800 90.9138 -4.75701 -21.7945 -4.75653 -200.813 95.3771 -21.7939 95.3764 -269.601 GPRESSURE: 3392800 81.0024 -19.5315 -7.67216 27.7058 -133.131 17.5748 -28.5114 179.729 -235.505 PRESSAVG: 3392800 12.4715 62.5706 22.8212 62.5707 28.448 -61.142 22.8212 -61.1419 -47.6846 GPRESSAVG: 3392800 13.3406 61.8259 20.2681 61.2473 29.7065 -62.6647 22.9019 -59.1111 -49.5119 TIMING: 3392800 CPU: 10214, 0.00297613/step Wall: 10214, 0.00297613/step, 1.32868 hours remaining, 208.875000 MB of memory in use. ENERGY: 3392800 775.9164 2081.2598 1903.3610 105.8655 -205859.4935 17562.7579 0.0000 0.0000 34495.9471 -148934.3858 301.2617 -183430.3329 -148840.7781 300.0913 -126.4999 -95.8777 558262.6710 -2.2551 -2.1549 PRESSURE: 3393000 110.453 -67.6846 -118.022 -67.6849 -141.572 110.064 -118.023 110.063 -74.8063 GPRESSURE: 3393000 137.644 -30.915 -110.563 -111.435 -49.1716 56.7708 -160.603 166.772 -95.8318 PRESSAVG: 3393000 48.8207 24.4764 -22.4539 24.4764 -17.2756 -14.8116 -22.4539 -14.8115 -48.8915 GPRESSAVG: 3393000 49.4135 26.3061 -22.9142 24.8721 -18.788 -13.0564 -21.637 -16.0346 -47.4488 TIMING: 3393000 CPU: 10214.6, 0.00297245/step Wall: 10214.6, 0.00297245/step, 1.32687 hours remaining, 208.875000 MB of memory in use. ENERGY: 3393000 763.4366 2086.6808 1909.4143 120.7932 -205998.8541 17785.5051 0.0000 0.0000 34318.0035 -149015.0206 299.7077 -183333.0241 -148918.0698 300.5903 -35.3085 -2.4530 557132.6338 -5.7821 -5.6078 PRESSURE: 3393200 -261.306 -18.6066 60.5312 -18.6066 -184.065 219.208 60.531 219.208 65.4245 GPRESSURE: 3393200 -180.696 -39.4336 98.714 37.0404 -165.575 216.219 -5.52649 241.321 69.067 PRESSAVG: 3393200 -24.63 -9.7943 37.5416 -9.79425 3.93613 92.6898 37.5416 92.6898 36.8111 GPRESSAVG: 3393200 -25.9928 -8.10339 37.9081 -10.1992 5.65407 92.2539 35.7016 91.9027 36.3317 TIMING: 3393200 CPU: 10215.1, 0.00295096/step Wall: 10215.1, 0.00295096/step, 1.31711 hours remaining, 208.875000 MB of memory in use. ENERGY: 3393200 793.8993 2076.8077 1928.6168 121.8791 -205761.3821 17550.8190 0.0000 0.0000 34418.1440 -148871.2162 300.5822 -183289.3601 -148775.0352 300.1288 -126.6488 -92.4013 558142.3769 5.3724 5.3310 PRESSURE: 3393400 -227.263 139.678 -139.365 139.678 216.446 66.3031 -139.365 66.3029 -91.4678 GPRESSURE: 3393400 -211.68 100.588 -150.744 148.018 233.052 73.5178 -159.395 119.453 -23.211 PRESSAVG: 3393400 6.06828 46.4137 -14.5956 46.4137 -31.8055 59.0867 -14.5956 59.0866 45.4819 GPRESSAVG: 3393400 6.73404 43.3105 -14.1049 47.2523 -32.8168 57.8608 -14.7306 59.1558 46.2304 TIMING: 3393400 CPU: 10215.7, 0.00297424/step Wall: 10215.7, 0.00297424/step, 1.32734 hours remaining, 208.875000 MB of memory in use. ENERGY: 3393400 768.6481 2109.5633 1931.0618 124.3479 -205799.7399 17651.8000 0.0000 0.0000 34384.5008 -148829.8180 300.2884 -183214.3188 -148740.7939 299.7992 -34.0946 -0.6128 557298.2251 6.5816 6.7159 PRESSURE: 3393600 -5.69216 -50.1027 -119.651 -50.1038 -74.6157 85.531 -119.651 85.5296 13.062 GPRESSURE: 3393600 12.6769 -19.862 -98.5828 -71.032 25.8413 17.5558 -190.249 136.741 -25.6417 PRESSAVG: 3393600 -53.7571 4.5626 -23.8689 4.56262 6.81743 13.0789 -23.8688 13.079 31.7105 GPRESSAVG: 3393600 -52.7148 6.04912 -23.9576 2.46285 5.93819 12.9361 -22.1741 12.2579 32.0325 TIMING: 3393600 CPU: 10216.3, 0.00297632/step Wall: 10216.3, 0.00297632/step, 1.3281 hours remaining, 208.875000 MB of memory in use. ENERGY: 3393600 756.1000 2113.9482 1925.8758 126.2846 -205967.7224 17742.5315 0.0000 0.0000 34355.2800 -148947.7022 300.0332 -183302.9822 -148847.4564 300.6693 -22.4153 4.2922 555989.0927 -5.0764 -4.9147 PRESSURE: 3393800 -236.322 -97.7224 55.0103 -97.7224 67.6105 76.1117 55.0088 76.112 -313.811 GPRESSURE: 3393800 -190.754 -69.157 -54.304 -47.9587 63.5209 101.791 162.052 140.395 -254.233 PRESSAVG: 3393800 -21.2027 62.2474 -18.6892 62.2474 63.519 35.2202 -18.6893 35.2203 -21.3504 GPRESSAVG: 3393800 -21.844 61.2421 -17.9587 64.5665 64.0592 35.761 -19.6254 33.9522 -20.7153 TIMING: 3393800 CPU: 10216.9, 0.00297964/step Wall: 10216.9, 0.00297964/step, 1.32942 hours remaining, 208.875000 MB of memory in use. ENERGY: 3393800 762.0225 2093.6163 1923.8054 112.8983 -205815.1264 17495.9753 0.0000 0.0000 34387.6237 -149039.1849 300.3157 -183426.8086 -148936.2490 299.9289 -160.8410 -127.1551 555810.1850 6.9886 7.1667 PRESSURE: 3394000 70.0771 117.407 6.38267 117.406 -0.88315 -93.9581 6.38179 -93.9604 105.394 GPRESSURE: 3394000 73.207 201.822 23.7316 33.8276 57.6953 -10.8953 -7.26425 -92.317 136.499 PRESSAVG: 3394000 -7.55224 -1.40906 28.8813 -1.409 13.4535 -41.1883 28.8813 -41.1882 15.2993 GPRESSAVG: 3394000 -7.18528 -0.845746 27.5666 -0.89663 13.4035 -41.2171 28.8544 -38.4286 14.6094 TIMING: 3394000 CPU: 10217.5, 0.00297213/step Wall: 10217.5, 0.00297213/step, 1.3259 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: 3394000 783.9104 2178.7176 1944.3907 113.4042 -206165.8863 17980.0121 0.0000 0.0000 34090.0018 -149075.4495 297.7165 -183165.4513 -148978.3546 299.8666 58.1961 89.1339 556124.3109 7.0669 6.9425 PRESSURE: 3394200 -215.786 -286.563 7.74624 -286.564 -54.6465 -81.1443 7.74588 -81.144 -237.028 GPRESSURE: 3394200 -154.821 -322.043 19.4611 -285.958 -17.8238 -5.55735 17.2095 -127.067 -232.196 PRESSAVG: 3394200 10.7196 -54.2646 -8.18892 -54.2645 46.8513 -49.024 -8.18889 -49.024 -28.6061 GPRESSAVG: 3394200 11.4893 -53.5825 -9.23194 -57.149 46.6112 -49.1382 -6.32198 -48.7197 -28.8557 TIMING: 3394200 CPU: 10218.1, 0.00295137/step Wall: 10218.1, 0.00295137/step, 1.31648 hours remaining, 208.875000 MB of memory in use. ENERGY: 3394200 770.1205 2106.9874 1952.6620 123.6245 -206102.3508 17659.7650 0.0000 0.0000 34282.8311 -149206.3603 299.4005 -183489.1913 -149106.7677 299.0732 -169.1533 -134.9469 557484.6099 9.6549 9.7483 PRESSURE: 3394400 -133.531 -160.861 66.3365 -160.86 -48.3669 141.276 66.336 141.276 32.4571 GPRESSURE: 3394400 -71.7856 -132.728 48.4588 -93.2635 -1.03713 104.034 47.6546 110.965 18.7684 PRESSAVG: 3394400 22.5362 3.26286 20.1644 3.26293 46.4203 8.92785 20.1644 8.92789 18.9179 GPRESSAVG: 3394400 21.9097 3.03285 21.6777 3.95272 46.6668 9.80342 19.4014 8.03819 19.6442 TIMING: 3394400 CPU: 10218.7, 0.00296918/step Wall: 10218.7, 0.00296918/step, 1.32426 hours remaining, 208.875000 MB of memory in use. ENERGY: 3394400 774.5724 2086.3366 1951.6906 104.0420 -206376.4904 17869.0955 0.0000 0.0000 34303.5628 -149287.1904 299.5815 -183590.7532 -149194.1789 299.3216 -49.8137 -18.0181 557687.9862 29.2915 29.4069 PRESSURE: 3394600 -3.41442 -7.45869 -62.4082 -7.45873 -108.772 -97.7298 -62.4082 -97.7306 -93.6047 GPRESSURE: 3394600 -28.4989 38.3624 -6.84164 12.3398 -30.075 -97.5699 -77.5279 -69.6797 -53.0138 PRESSAVG: 3394600 -1.61652 -20.2349 23.5493 -20.2349 3.09566 -21.6907 23.5492 -21.6907 -39.3581 GPRESSAVG: 3394600 -0.850171 -23.2894 24.5398 -16.9583 2.58957 -22.4041 21.9981 -21.7557 -39.2418 TIMING: 3394600 CPU: 10219.3, 0.00299219/step Wall: 10219.3, 0.00299219/step, 1.33435 hours remaining, 209.078125 MB of memory in use. ENERGY: 3394600 758.5285 2142.6371 1954.6235 110.4292 -206243.6021 17809.2300 0.0000 0.0000 34181.3801 -149286.7736 298.5145 -183468.1537 -149187.4408 299.0860 -68.5972 -37.1959 559283.9080 -12.6263 -12.5008 PRESSURE: 3394800 250.216 118.448 -50.0739 118.448 84.7564 53.8244 -50.0739 53.826 160.166 GPRESSURE: 3394800 302.183 65.6728 -48.1788 63.3321 114.895 -35.9887 -22.7309 118.582 173.914 PRESSAVG: 3394800 0.943779 34.4702 20.8383 34.4702 38.0526 47.6268 20.8384 47.6267 -44.1217 GPRESSAVG: 3394800 0.909675 34.7389 21.9189 32.4412 37.5601 46.2578 21.1733 47.2782 -44.0069 TIMING: 3394800 CPU: 10219.9, 0.00298729/step Wall: 10219.9, 0.00298729/step, 1.332 hours remaining, 209.078125 MB of memory in use. ENERGY: 3394800 732.2359 2090.4795 1940.4054 107.1121 -206447.5118 18097.2385 0.0000 0.0000 34224.6379 -149255.4026 298.8923 -183480.0405 -149158.9711 299.4035 165.0462 196.9972 556904.0664 -1.7085 -1.8457 PRESSURE: 3395000 -29.2817 -14.0642 225.613 -14.0623 -71.2847 34.0954 225.613 34.0929 55.4147 GPRESSURE: 3395000 28.7578 3.91041 227.695 -64.8999 -54.9051 91.8063 290.239 37.3154 80.7888 PRESSAVG: 3395000 74.8896 -7.07323 41.4008 -7.07321 28.2118 23.8908 41.4008 23.8907 -32.2207 GPRESSAVG: 3395000 75.4171 -4.11096 40.6822 -7.93144 27.2366 24.4892 41.4843 24.4369 -31.5527 TIMING: 3395000 CPU: 10220.5, 0.00297655/step Wall: 10220.5, 0.00297655/step, 1.32705 hours remaining, 209.078125 MB of memory in use. ENERGY: 3395000 742.6912 2096.7638 1947.5621 111.9117 -206082.0307 17690.6165 0.0000 0.0000 34365.0130 -149127.4723 300.1182 -183492.4854 -149040.1944 299.5900 -15.0505 18.2138 557396.2339 23.6269 23.7003 PRESSURE: 3395200 50.2213 -98.9749 -159.964 -98.9754 -162.767 8.22586 -159.965 8.22379 -193.774 GPRESSURE: 3395200 89.8192 -85.3672 -85.8696 -72.7716 -142.431 -35.4536 -155.599 50.6764 -147.568 PRESSAVG: 3395200 30.9397 -21.7726 0.414546 -21.7725 -25.4229 3.64227 0.414544 3.64217 3.5531 GPRESSAVG: 3395200 30.8228 -22.4049 0.356567 -20.943 -24.152 3.23991 -0.0968195 2.25582 2.47965 TIMING: 3395200 CPU: 10221.1, 0.00300549/step Wall: 10221.1, 0.00300549/step, 1.33978 hours remaining, 209.078125 MB of memory in use. ENERGY: 3395200 757.1625 2108.2173 1905.5535 99.9536 -205775.8969 17661.9146 0.0000 0.0000 34139.5457 -149103.5497 298.1491 -183243.0954 -149012.0607 299.2837 -102.1068 -66.7267 558370.2049 3.0233 3.0501 PRESSURE: 3395400 -19.968 8.87882 7.09534 8.8785 74.6201 -29.7708 7.09453 -29.7686 -252.507 GPRESSURE: 3395400 51.6919 -5.83056 -68.4471 38.2278 37.9391 -81.5604 7.11344 59.1382 -194.805 PRESSAVG: 3395400 9.65085 -33.237 14.4648 -33.2369 44.8748 -48.6378 14.4648 -48.6379 -9.73839 GPRESSAVG: 3395400 9.38384 -33.1517 14.2346 -34.473 44.3152 -46.6731 14.7008 -47.5318 -9.39102 TIMING: 3395400 CPU: 10221.7, 0.00301566/step Wall: 10221.7, 0.00301566/step, 1.34415 hours remaining, 209.078125 MB of memory in use. ENERGY: 3395400 756.0656 2068.0330 1956.2742 118.9683 -206164.8246 17733.8917 0.0000 0.0000 34209.6078 -149321.9839 298.7610 -183531.5917 -149226.8344 299.0497 -65.9515 -35.0579 558773.6653 14.9291 14.7694 PRESSURE: 3395600 103.336 -3.18844 -75.7588 -3.18787 41.3782 -113.602 -75.7595 -113.601 -185.986 GPRESSURE: 3395600 110.765 -12.3872 -84.9221 53.4055 102.839 -81.8969 23.8863 -61.3072 -162.06 PRESSAVG: 3395600 -60.5022 18.3213 -20.4598 18.3213 71.1266 -47.2132 -20.4598 -47.2131 21.7712 GPRESSAVG: 3395600 -60.6307 16.5682 -21.6654 19.9336 70.7181 -48.9019 -19.9497 -48.3869 21.774 TIMING: 3395600 CPU: 10222.3, 0.00301106/step Wall: 10222.3, 0.00301106/step, 1.34193 hours remaining, 209.078125 MB of memory in use. ENERGY: 3395600 723.9980 2072.5697 1964.1561 124.0962 -206283.2589 17853.4041 0.0000 0.0000 34197.8160 -149347.2188 298.6580 -183545.0348 -149251.8039 298.8229 -13.7574 17.1812 558746.6969 10.7985 10.6205 PRESSURE: 3395800 -31.9327 152.79 110.045 152.791 -218.751 5.24088 110.045 5.24075 -95.7663 GPRESSURE: 3395800 5.02092 187.003 88.7802 92.2289 -172.804 -79.6164 146.213 -15.4841 -74.113 PRESSAVG: 3395800 -17.902 36.3548 29.0196 36.3548 39.342 -87.1978 29.0196 -87.198 -13.1495 GPRESSAVG: 3395800 -19.0847 35.6654 27.5279 36.3293 39.7916 -85.9813 28.8718 -86.7673 -12.9208 TIMING: 3395800 CPU: 10222.9, 0.00297877/step Wall: 10222.9, 0.00297877/step, 1.32737 hours remaining, 209.144531 MB of memory in use. ENERGY: 3395800 745.0457 2044.2220 1937.6280 112.5528 -205854.7592 17613.1695 0.0000 0.0000 34246.6168 -149155.5244 299.0842 -183402.1412 -149053.6885 298.7204 -115.4835 -80.6319 557509.4126 2.7635 2.5954 PRESSURE: 3396000 -354.063 -134.66 -53.1219 -134.662 -83.1742 56.7648 -53.1231 56.7652 -134.553 GPRESSURE: 3396000 -340.005 -190.683 -27.6456 -132.262 -64.0459 30.6521 -144.817 100.47 -76.2556 PRESSAVG: 3396000 18.426 -3.27843 13.9677 -3.27847 -8.63584 -57.6057 13.9676 -57.6056 -6.67916 GPRESSAVG: 3396000 18.7181 -0.846 14.9088 -5.1614 -8.14019 -59.5052 14.1446 -56.3684 -7.20979 TIMING: 3396000 CPU: 10223.5, 0.00300716/step Wall: 10223.5, 0.00300716/step, 1.33986 hours remaining, 209.144531 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: 3396000 727.5654 2057.5946 1936.6090 114.4714 -205743.6556 17499.8220 0.0000 0.0000 34191.2697 -149216.3235 298.6009 -183407.5932 -149125.1138 298.9493 -190.5966 -160.1020 558420.6060 1.0370 1.1227 PRESSURE: 3396200 -178.952 5.89614 55.1023 5.89735 -8.79479 24.4704 55.1031 24.4712 -94.1699 GPRESSURE: 3396200 -140.815 37.5371 67.4788 -27.9126 13.1832 27.5208 48.4728 12.242 -57.6787 PRESSAVG: 3396200 -36.4285 34.7489 -18.4283 34.7489 50.5602 -17.872 -18.4283 -17.8719 -5.4125 GPRESSAVG: 3396200 -36.2225 34.5658 -17.233 33.1609 49.1696 -13.2761 -17.5341 -19.7891 -4.68879 TIMING: 3396200 CPU: 10224.1, 0.0030366/step Wall: 10224.1, 0.0030366/step, 1.3528 hours remaining, 209.144531 MB of memory in use. ENERGY: 3396200 746.4825 2102.8728 1905.5187 110.9046 -205652.7336 17614.7118 0.0000 0.0000 34036.8307 -149135.4125 297.2521 -183172.2432 -149040.4423 299.2983 -93.9722 -61.7702 557906.1971 2.9064 2.7528 LDB: ============= START OF LOAD BALANCING ============== 10227.6 LDB: ============== END OF LOAD BALANCING =============== 10227.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10227.6 LDB: ============= START OF LOAD BALANCING ============== 10227.9 LDB: Largest compute 4802 load 0.028318 is 24.0% of average load 0.118139 LDB: Average compute 0.001729 is 1.5% of average load 0.118139 LDB: TIME 10227.9 LOAD: AVG 0.118139 MAX 0.209592 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.719 MB LDB: TIME 10227.9 LOAD: AVG 0.118139 MAX 0.209592 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.719 MB LDB: TIME 10227.9 LOAD: AVG 0.118139 MAX 0.209592 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.719 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10227.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10227.9 PRESSURE: 3396400 245.185 90.1217 70.1677 90.1223 169.274 -189.181 70.1673 -189.181 96.1904 GPRESSURE: 3396400 259.378 164.8 42.6548 14.1661 199.819 -197.531 121.787 -196.13 133.076 PRESSAVG: 3396400 -74.6116 -3.05785 40.4352 -3.05784 23.0378 -8.36406 40.4351 -8.36413 51.863 GPRESSAVG: 3396400 -75.0238 -3.30019 39.7833 -0.393433 23.9826 -9.57457 39.1665 -8.16831 50.947 TIMING: 3396400 CPU: 10224.7, 0.00307942/step Wall: 10224.7, 0.00307942/step, 1.37171 hours remaining, 208.941406 MB of memory in use. ENERGY: 3396400 714.0820 2095.1295 1940.1505 107.8912 -205881.7757 17894.6466 0.0000 0.0000 34010.2657 -149119.6102 297.0201 -183129.8759 -149024.4993 298.3090 170.2166 197.4241 558729.0379 0.0964 -0.0314 PRESSURE: 3396600 -217.763 44.74 117.661 44.7404 -166.394 133.569 117.662 133.569 -157.031 GPRESSURE: 3396600 -204.605 49.4157 82.8169 -33.0199 -125.903 184.707 179.303 99.7774 -116.557 PRESSAVG: 3396600 34.4339 59.871 -22.8996 59.871 7.17515 21.5259 -22.8997 21.526 -31.2395 GPRESSAVG: 3396600 33.8695 60.5409 -22.9606 58.3692 6.49579 21.9726 -23.8089 21.5756 -29.592 TIMING: 3396600 CPU: 10225.3, 0.00299361/step Wall: 10225.3, 0.00299361/step, 1.33332 hours remaining, 209.144531 MB of memory in use. ENERGY: 3396600 762.3256 2066.4043 1966.3893 113.5659 -206137.0362 17735.6015 0.0000 0.0000 34395.1871 -149097.5625 300.3817 -183492.7497 -148999.0934 299.3241 -180.3959 -149.0218 558752.0804 3.4565 3.5911 PRESSURE: 3396800 39.8231 -136.259 49.6589 -136.259 -243.865 -42.0112 49.6582 -42.011 -232.679 GPRESSURE: 3396800 50.0171 -13.1972 42.5777 -207.164 -188.171 -109.64 31.2948 -28.9987 -215.675 PRESSAVG: 3396800 24.2138 -17.5876 -17.3872 -17.5875 -9.97249 11.9335 -17.3872 11.9335 -18.3197 GPRESSAVG: 3396800 23.8594 -15.5689 -19.5102 -19.0587 -9.01521 10.5515 -15.2264 12.6616 -19.173 TIMING: 3396800 CPU: 10225.9, 0.00299419/step Wall: 10225.9, 0.00299419/step, 1.33341 hours remaining, 209.144531 MB of memory in use. ENERGY: 3396800 745.8500 2103.8314 1950.7981 121.8528 -206040.3547 17582.7956 0.0000 0.0000 34377.8662 -149157.3606 300.2305 -183535.2267 -149058.4182 299.5937 -145.5734 -117.9428 557751.3480 -1.3595 -1.4429 PRESSURE: 3397000 -12.1279 -36.0056 -12.6078 -36.0047 -113.381 80.1466 -12.6083 80.148 47.294 GPRESSURE: 3397000 -26.3248 -135.165 -59.2264 -6.12299 -72.9751 147.043 13.4989 74.6805 112.802 PRESSAVG: 3397000 -17.385 -6.45096 -7.66826 -6.45111 -8.86708 33.4471 -7.66823 33.4471 1.28255 GPRESSAVG: 3397000 -16.1912 -8.81779 -8.48346 -4.62773 -10.0768 32.3485 -8.11793 32.8776 0.992465 TIMING: 3397000 CPU: 10226.5, 0.00296817/step Wall: 10226.5, 0.00296817/step, 1.32166 hours remaining, 209.144531 MB of memory in use. ENERGY: 3397000 718.6022 2015.4411 1954.3851 110.8112 -205879.2971 17627.4951 0.0000 0.0000 34282.0311 -149170.5313 299.3935 -183452.5624 -149068.9745 299.7460 -26.0715 4.5006 556997.7297 -8.3232 -8.4252 PRESSURE: 3397200 -107.796 -30.0836 -105.111 -30.0837 190.676 82.6471 -105.112 82.6499 -251.498 GPRESSURE: 3397200 -111.087 -62.1312 -131.129 -52.8721 203.702 82.3534 -109.177 23.2246 -168.963 PRESSAVG: 3397200 -12.9802 -32.1056 12.3327 -32.1057 -9.48199 31.6765 12.3326 31.6765 29.5137 GPRESSAVG: 3397200 -14.7255 -30.859 14.457 -32.7477 -9.01575 32.0419 12.6745 32.881 30.6638 TIMING: 3397200 CPU: 10227.1, 0.00299499/step Wall: 10227.1, 0.00299499/step, 1.33344 hours remaining, 209.144531 MB of memory in use. ENERGY: 3397200 735.3832 2081.6589 1913.5917 114.0025 -206298.0667 17851.5589 0.0000 0.0000 34492.5413 -149109.3301 301.2319 -183601.8715 -149010.1251 300.3373 -56.2058 -25.4492 557765.2835 2.3505 2.3075 PRESSURE: 3397400 -70.2244 25.9828 61.5746 25.9826 -98.0474 83.9832 61.5747 83.9834 -45.6928 GPRESSURE: 3397400 -0.141929 0.774548 79.7361 49.7867 -79.1459 53.3942 17.7461 30.4177 -37.6871 PRESSAVG: 3397400 9.23327 1.63079 -22.1243 1.63086 -46.3539 -27.5411 -22.1243 -27.5411 48.3889 GPRESSAVG: 3397400 9.5361 1.18162 -21.5079 3.0681 -45.6195 -26.9455 -24.7602 -27.6254 47.211 TIMING: 3397400 CPU: 10227.7, 0.00300303/step Wall: 10227.7, 0.00300303/step, 1.33685 hours remaining, 209.144531 MB of memory in use. ENERGY: 3397400 762.3546 2064.3292 1942.3110 100.1477 -206230.5824 17804.5209 0.0000 0.0000 34598.0529 -148958.8662 302.1534 -183556.9191 -148867.0327 299.9785 -71.3215 -38.9917 557196.8156 3.7561 3.7092 PRESSURE: 3397600 -24.9613 -72.1053 -62.1751 -72.105 11.7784 -72.9015 -62.1743 -72.9 -135.774 GPRESSURE: 3397600 25.4833 -99.2859 -79.6773 4.0134 -7.94915 -86.1465 -82.6578 -41.153 -76.9625 PRESSAVG: 3397600 -7.27319 -45.8427 34.7331 -45.8426 -47.1956 -4.07474 34.7332 -4.07461 4.38031 GPRESSAVG: 3397600 -7.15352 -45.7184 33.393 -47.1489 -48.0397 -2.82888 35.9107 -6.68204 4.87844 TIMING: 3397600 CPU: 10228.3, 0.00301383/step Wall: 10228.3, 0.00301383/step, 1.34149 hours remaining, 209.144531 MB of memory in use. ENERGY: 3397600 745.6430 2062.0142 1945.4348 113.4636 -205793.0488 17675.3076 0.0000 0.0000 34320.0095 -148931.1760 299.7252 -183251.1856 -148836.8556 300.6301 -49.6523 -19.8094 558231.6928 -16.6962 -16.7716 PRESSURE: 3397800 71.0168 -81.8135 -144.09 -81.813 -18.5533 22.4514 -144.091 22.4514 0.817734 GPRESSURE: 3397800 111.017 -25.9119 -197.999 -152.657 20.7133 -70.2658 1.68277 69.6955 26.166 PRESSAVG: 3397800 -28.2207 16.9251 27.0207 16.9251 -15.7337 -68.6706 27.0206 -68.6705 48.2506 GPRESSAVG: 3397800 -27.6672 16.6456 27.4258 17.075 -14.6302 -68.8166 27.8766 -67.0231 46.1704 TIMING: 3397800 CPU: 10228.9, 0.00300059/step Wall: 10228.9, 0.00300059/step, 1.33543 hours remaining, 209.144531 MB of memory in use. ENERGY: 3397800 774.9514 2123.8419 1920.6636 103.6891 -205943.5033 17815.1691 0.0000 0.0000 34314.5177 -148890.6706 299.6772 -183205.1883 -148792.1250 300.2931 17.7604 52.6322 558410.3968 1.4320 1.2910 PRESSURE: 3398000 96.2499 96.9639 -184.302 96.9636 4.37685 -12.1838 -184.302 -12.1843 51.0017 GPRESSURE: 3398000 185.584 41.7442 -156.19 41.5738 39.0778 38.7978 -186.333 17.1489 20.8737 PRESSAVG: 3398000 56.3789 0.323151 11.3051 0.323095 -43.6571 13.0333 11.305 13.0333 -20.7378 GPRESSAVG: 3398000 55.8827 0.884849 11.5374 -0.721075 -45.1874 11.4015 11.573 12.9759 -18.9418 TIMING: 3398000 CPU: 10229.5, 0.00300912/step Wall: 10229.5, 0.00300912/step, 1.33906 hours remaining, 209.144531 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: 3398000 702.6342 2079.8624 1919.2962 115.6505 -205987.4676 17908.5931 0.0000 0.0000 34397.5420 -148863.8891 300.4023 -183261.4311 -148772.1248 300.2198 50.5428 81.8453 559891.2719 -2.6720 -2.7488 PRESSURE: 3398200 -149.941 -30.8843 18.2917 -30.8848 -16.109 10.2616 18.292 10.2627 27.3957 GPRESSURE: 3398200 -56.6584 -87.8864 36.4142 37.2448 -28.7544 -4.675 -46.7666 39.513 43.7809 PRESSAVG: 3398200 -24.9924 5.98004 -36.8233 5.97999 43.2978 19.8679 -36.8232 19.868 6.53177 GPRESSAVG: 3398200 -25.4667 7.1474 -37.2028 4.53423 43.7767 20.6438 -37.807 22.02 6.45315 TIMING: 3398200 CPU: 10230.1, 0.00299477/step Wall: 10230.1, 0.00299477/step, 1.33251 hours remaining, 209.144531 MB of memory in use. ENERGY: 3398200 729.5565 2086.3072 1976.1294 108.6998 -205938.9658 17707.1632 0.0000 0.0000 34269.4748 -149061.6348 299.2838 -183331.1097 -148961.8915 299.5450 -46.2181 -13.8773 558731.6710 8.2790 8.2544 PRESSURE: 3398400 133.185 -38.7932 1.38686 -38.7934 -72.989 -17.2604 1.38713 -17.2618 -10.9091 GPRESSURE: 3398400 197.686 -99.4883 -65.4613 -43.9124 -74.8142 20.6517 61.816 -6.36167 24.9549 PRESSAVG: 3398400 -59.1597 -25.0005 -36.1811 -25.0005 37.4665 1.2202 -36.181 1.22013 30.9245 GPRESSAVG: 3398400 -58.4674 -26.8157 -36.2244 -23.4446 36.7099 1.97411 -34.7254 0.110708 31.594 TIMING: 3398400 CPU: 10230.7, 0.00296442/step Wall: 10230.7, 0.00296442/step, 1.31884 hours remaining, 209.144531 MB of memory in use. ENERGY: 3398400 701.2079 2101.6996 1920.0205 111.1198 -205826.6839 17714.6126 0.0000 0.0000 34319.5810 -148958.4425 299.7214 -183278.0235 -148870.9244 299.2376 16.4292 49.2757 558202.8716 3.0771 3.2788 PRESSURE: 3398600 0.886838 -2.58403 15.4957 -2.58274 99.9872 -205.785 15.4953 -205.785 226.205 GPRESSURE: 3398600 13.8622 28.0578 -3.39958 91.6544 191.554 -170.915 25.1592 -197.464 222.312 PRESSAVG: 3398600 -60.6011 4.17927 1.17606 4.17931 30.5952 26.4044 1.17614 26.4044 29.7683 GPRESSAVG: 3398600 -60.78 5.24395 1.78867 3.01411 31.1212 25.4019 -1.18443 28.002 29.6168 TIMING: 3398600 CPU: 10231.3, 0.00297915/step Wall: 10231.3, 0.00297915/step, 1.32523 hours remaining, 209.144531 MB of memory in use. ENERGY: 3398600 736.3375 2156.4229 1933.4173 103.2161 -206348.6342 17951.6432 0.0000 0.0000 34379.3003 -149088.2970 300.2430 -183467.5973 -148991.1429 300.0285 109.0264 142.5762 556937.3461 -0.0792 -0.0140 PRESSURE: 3398800 -234.857 141.688 -127.352 141.689 181.355 54.6833 -127.352 54.6825 -133.212 GPRESSURE: 3398800 -189.851 182.356 -138.981 130.738 151.869 149.089 -104.187 -36.9511 -52.1092 PRESSAVG: 3398800 -15.1758 -2.20871 39.0564 -2.20872 66.7681 -8.12193 39.0563 -8.12178 -10.6626 GPRESSAVG: 3398800 -13.3974 -2.134 39.0776 -1.16284 65.8756 -8.76107 39.169 -9.37908 -11.5061 TIMING: 3398800 CPU: 10231.9, 0.00299418/step Wall: 10231.9, 0.00299418/step, 1.33175 hours remaining, 209.144531 MB of memory in use. ENERGY: 3398800 736.2416 2078.3589 1929.7306 118.3740 -205891.4333 17675.2841 0.0000 0.0000 34246.9070 -149106.5372 299.0868 -183353.4441 -149013.1870 299.4308 -62.2381 -30.0305 558239.8743 13.6432 13.6574 PRESSURE: 3399000 -154.936 79.4106 -80.5503 79.4114 16.7662 -38.9551 -80.5499 -38.9542 -117.893 GPRESSURE: 3399000 -160.427 96.326 -22.3748 93.008 37.3835 -129.529 -114.92 -33.4678 -42.7492 PRESSAVG: 3399000 -50.9587 -18.511 -14.0513 -18.511 86.0305 -51.1899 -14.0513 -51.1899 -6.47353 GPRESSAVG: 3399000 -53.2773 -19.1107 -13.9503 -18.5048 86.7053 -50.5368 -12.4559 -49.1974 -5.19538 TIMING: 3399000 CPU: 10232.5, 0.00299378/step Wall: 10232.5, 0.00299378/step, 1.3314 hours remaining, 209.144531 MB of memory in use. ENERGY: 3399000 710.9107 2089.3740 1935.5833 112.2947 -205681.0197 17517.6133 0.0000 0.0000 34337.6040 -148977.6397 299.8788 -183315.2437 -148883.7462 299.1037 -85.3543 -55.2642 558295.0056 9.5327 9.4109 PRESSURE: 3399200 117.202 -44.755 -145.652 -44.7564 357.404 32.4396 -145.652 32.44 54.8845 GPRESSURE: 3399200 122.688 -41.1696 -178.057 -52.3885 405.328 20.4225 -187.167 -43.2239 100.401 PRESSAVG: 3399200 -5.53026 -9.6516 -42.0538 -9.6515 54.3801 9.67272 -42.0538 9.67268 -11.2522 GPRESSAVG: 3399200 -5.42043 -9.41812 -42.7417 -10.1873 54.9434 9.72529 -44.255 7.93959 -12.0697 TIMING: 3399200 CPU: 10233.1, 0.00299718/step Wall: 10233.1, 0.00299718/step, 1.33275 hours remaining, 209.144531 MB of memory in use. ENERGY: 3399200 730.1898 2143.8049 1939.0684 103.9046 -206186.8989 17967.1151 0.0000 0.0000 34318.9775 -148983.8387 299.7162 -183302.8162 -148888.5522 300.4294 176.4969 209.4722 555886.0026 12.5325 12.4844 PRESSURE: 3399400 -268.717 30.8282 108.412 30.8279 6.54027 -13.2013 108.413 -13.201 -143.517 GPRESSURE: 3399400 -281.32 111.585 150.054 10.2442 76.2095 -14.4581 109.669 -29.4555 -101.564 PRESSAVG: 3399400 -25.1549 12.2343 9.73179 12.2343 45.9506 -16.4273 9.73179 -16.4274 -19.1703 GPRESSAVG: 3399400 -23.969 12.811 12.4201 10.84 45.7135 -16.4764 10.3573 -16.6723 -19.7322 TIMING: 3399400 CPU: 10233.7, 0.00301531/step Wall: 10233.7, 0.00301531/step, 1.34064 hours remaining, 209.144531 MB of memory in use. ENERGY: 3399400 761.6221 2097.0695 1950.1071 105.7965 -205760.8364 17645.7137 0.0000 0.0000 34358.3397 -148842.1878 300.0599 -183200.5275 -148743.9643 300.0454 -135.2313 -102.2248 559032.7685 0.5418 0.6707 PRESSURE: 3399600 -108.431 -54.645 -37.6669 -54.6462 -271.495 -46.2515 -37.6668 -46.2522 138.71 GPRESSURE: 3399600 -69.4015 -87.6148 -54.4587 -64.7487 -266.636 5.52095 -20.6776 -98.595 189.297 PRESSAVG: 3399600 -53.5927 -7.71749 16.9314 -7.71748 -17.7308 -36.3467 16.9314 -36.3466 67.8488 GPRESSAVG: 3399600 -52.2066 -10.204 14.6479 -6.42959 -19.177 -35.1046 19.0819 -38.2474 67.7684 TIMING: 3399600 CPU: 10234.3, 0.003001/step Wall: 10234.3, 0.003001/step, 1.33411 hours remaining, 209.144531 MB of memory in use. ENERGY: 3399600 734.0963 2103.9980 1931.8838 113.9620 -205481.2824 17623.3791 0.0000 0.0000 34108.3871 -148865.5760 297.8770 -182973.9631 -148768.4259 299.4007 -80.4054 -48.9136 559629.4206 -1.1582 -1.2051 PRESSURE: 3399800 51.548 11.416 -257.333 11.4145 -11.6362 26.688 -257.334 26.6863 78.4937 GPRESSURE: 3399800 35.9419 104.89 -256.409 -21.2337 71.2041 -27.6603 -297.594 74.4875 109.774 PRESSAVG: 3399800 0.894119 6.87022 32.9933 6.87028 23.8516 -34.3009 32.9932 -34.3008 -23.2883 GPRESSAVG: 3399800 -0.622166 9.85419 33.0615 7.0076 25.4904 -34.625 31.9166 -33.6324 -22.8968 TIMING: 3399800 CPU: 10234.9, 0.00300773/step Wall: 10234.9, 0.00300773/step, 1.33694 hours remaining, 209.144531 MB of memory in use. ENERGY: 3399800 759.1233 2088.7279 1967.1881 122.9305 -205838.2143 17913.6601 0.0000 0.0000 34247.6771 -148738.9072 299.0935 -182986.5843 -148644.9722 300.0937 39.4685 72.3066 558197.8562 0.4858 0.6572 PRESSURE: 3400000 95.6599 -10.5379 -21.1633 -10.5375 19.0027 207.029 -21.1637 207.029 127.866 GPRESSURE: 3400000 128.477 70.7746 -115.925 12.8217 115.947 173.749 -11.202 225.603 115.153 PRESSAVG: 3400000 -79.177 -13.7249 43.4073 -13.725 60.6674 37.3081 43.4073 37.3082 37.6445 GPRESSAVG: 3400000 -79.3772 -14.5505 44.2467 -14.8338 61.095 34.9765 44.4842 37.8253 37.5993 TIMING: 3400000 CPU: 10235.5, 0.00301035/step Wall: 10235.5, 0.00301035/step, 1.33793 hours remaining, 209.144531 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: 3400000 724.6228 2087.1864 1951.2256 117.6269 -205806.9001 17819.0599 0.0000 0.0000 34266.8134 -148840.3651 299.2606 -183107.1785 -148753.3701 300.3480 80.8430 119.8592 558596.3211 6.3783 6.4390 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3400000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 3400000 WRITING COORDINATES TO RESTART FILE AT STEP 3400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3400200 -364.084 -171.106 -49.3019 -171.106 -104.971 -88.0825 -49.302 -88.0821 -154.424 GPRESSURE: 3400200 -324.009 -169.369 -138.299 -154.26 -100.412 -107.501 -72.0456 -77.7821 -107.31 PRESSAVG: 3400200 -24.9497 20.5505 -26.8546 20.5505 63.9233 0.326333 -26.8547 0.326298 -41.952 GPRESSAVG: 3400200 -24.9596 19.9191 -26.0378 19.0624 63.4533 3.49454 -28.6293 -0.0339487 -41.7955 TIMING: 3400200 CPU: 10236.1, 0.0030901/step Wall: 10236.1, 0.0030901/step, 1.3732 hours remaining, 209.269531 MB of memory in use. ENERGY: 3400200 793.0923 2116.6418 1923.8940 119.5412 -205855.9578 17509.4437 0.0000 0.0000 34433.9197 -148959.4251 300.7200 -183393.3448 -148863.6969 299.7573 -207.8263 -177.2437 558792.0578 -0.9928 -1.1006 LDB: ============= START OF LOAD BALANCING ============== 10239.7 LDB: ============== END OF LOAD BALANCING =============== 10239.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10239.7 LDB: ============= START OF LOAD BALANCING ============== 10240 LDB: Largest compute 4802 load 0.027049 is 22.9% of average load 0.118031 LDB: Average compute 0.001737 is 1.5% of average load 0.118031 LDB: TIME 10240 LOAD: AVG 0.118031 MAX 0.207127 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.227 MB LDB: TIME 10240 LOAD: AVG 0.118031 MAX 0.207127 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.27 MB LDB: TIME 10240 LOAD: AVG 0.118031 MAX 0.207127 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.27 MB LDB: ============== END OF LOAD BALANCING =============== 10240 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10240 PRESSURE: 3400400 165.091 -93.2486 73.3347 -93.2479 -63.8539 18.3106 73.3343 18.3104 136.42 GPRESSURE: 3400400 217.877 -53.9591 -47.8058 -116.249 -81.798 -10.8815 79.5762 48.4581 188.649 PRESSAVG: 3400400 -25.83 -1.26834 -36.8712 -1.26822 43.5365 -8.35369 -36.8711 -8.35377 8.05956 GPRESSAVG: 3400400 -24.7327 -2.64209 -37.2446 2.85918 43.3297 -10.1357 -37.2982 -7.50866 6.98053 TIMING: 3400400 CPU: 10236.8, 0.00311693/step Wall: 10236.8, 0.00311693/step, 1.38495 hours remaining, 209.769531 MB of memory in use. ENERGY: 3400400 750.0366 2076.4359 1938.4708 116.1550 -206239.4380 17909.4879 0.0000 0.0000 34475.6590 -148973.1927 301.0845 -183448.8517 -148875.0297 299.8605 79.2190 108.2427 556605.8954 8.5887 8.5259 PRESSURE: 3400600 141.501 -63.7263 78.4091 -63.7267 20.089 49.6389 78.4097 49.6378 114.762 GPRESSURE: 3400600 200.144 -76.0158 135.503 -2.41746 83.3201 160.833 106.951 -31.5555 89.8375 PRESSAVG: 3400600 15.316 -27.165 52.7355 -27.165 35.4641 -22.6979 52.7354 -22.6977 -29.4457 GPRESSAVG: 3400600 14.9283 -26.6262 49.9328 -26.027 35.1572 -21.8577 54.2476 -23.4346 -29.0069 TIMING: 3400600 CPU: 10237.4, 0.00299468/step Wall: 10237.4, 0.00299468/step, 1.33047 hours remaining, 210.230469 MB of memory in use. ENERGY: 3400600 779.7669 2104.6183 1934.6437 114.6018 -206360.4613 17969.7534 0.0000 0.0000 34337.9353 -149119.1420 299.8817 -183457.0773 -149028.5228 299.5224 92.1171 124.4340 556257.6716 7.1115 7.0262 PRESSURE: 3400800 -312.478 -61.1183 -149.944 -61.1175 -227.209 -68.6196 -149.945 -68.6179 -203.467 GPRESSURE: 3400800 -243.182 -90.5848 -82.1899 -22.8418 -209.496 -195.502 -193.754 -4.36498 -185.137 PRESSAVG: 3400800 -22.9191 -2.89128 -14.9629 -2.89139 28.1129 2.14165 -14.9629 2.14172 8.95948 GPRESSAVG: 3400800 -23.5933 -1.8798 -12.0369 -6.02195 28.7011 0.990734 -17.6586 1.92761 8.98553 TIMING: 3400800 CPU: 10238, 0.0030204/step Wall: 10238, 0.0030204/step, 1.34173 hours remaining, 210.300781 MB of memory in use. ENERGY: 3400800 783.7288 2159.5849 1942.3865 115.6850 -206018.7689 17560.7700 0.0000 0.0000 34197.9506 -149258.6632 298.6592 -183456.6138 -149170.7309 299.4837 -247.7178 -212.6055 557502.3050 4.7178 4.6978 PRESSURE: 3401000 -92.5354 9.39105 14.0256 9.39234 243.809 116.724 14.0263 116.724 -227.151 GPRESSURE: 3401000 -85.5419 35.2407 -30.805 -136.699 249.582 27.6333 45.7952 73.1734 -138.044 PRESSAVG: 3401000 17.1349 -35.5982 -15.1358 -35.5981 26.6931 -9.79864 -15.1358 -9.79853 -42.9446 GPRESSAVG: 3401000 17.5556 -36.8439 -14.6949 -34.5348 25.9607 -8.83833 -14.1421 -9.44632 -42.2432 TIMING: 3401000 CPU: 10238.6, 0.00301798/step Wall: 10238.6, 0.00301798/step, 1.34049 hours remaining, 210.300781 MB of memory in use. ENERGY: 3401000 763.9270 2109.3162 1933.2827 118.1111 -206198.1608 17813.7842 0.0000 0.0000 33997.4257 -149462.3138 296.9080 -183459.7395 -149361.8354 298.0749 -25.2925 8.6654 555992.4908 0.2945 0.4244 PRESSURE: 3401200 -25.2593 3.94071 -8.20473 3.94176 118.984 29.7707 -8.20493 29.7717 -133.861 GPRESSURE: 3401200 40.3304 -64.2704 65.8735 -3.16644 172.952 47.6051 -51.231 -21.7982 -159.918 PRESSAVG: 3401200 -14.8022 -44.151 10.1296 -44.151 18.5859 -5.01392 10.1298 -5.0139 12.868 GPRESSAVG: 3401200 -14.7144 -43.7132 9.82357 -42.9566 18.5659 -5.54732 11.251 -4.54531 12.9419 TIMING: 3401200 CPU: 10239.2, 0.00301363/step Wall: 10239.2, 0.00301363/step, 1.33839 hours remaining, 210.300781 MB of memory in use. ENERGY: 3401200 750.8367 2111.3270 1930.4818 119.9127 -206086.0209 17533.4900 0.0000 0.0000 34081.1448 -149558.8279 297.6391 -183639.9727 -149465.1012 298.4170 -13.3788 17.7880 555310.7060 5.5506 5.5978 PRESSURE: 3401400 54.0712 26.7819 100.282 26.7822 8.54311 -0.663355 100.283 -0.661703 -226.203 GPRESSURE: 3401400 92.5625 6.79513 121.337 69.0354 37.7747 39.6082 165.888 -104.721 -196.038 PRESSAVG: 3401400 -24.1405 -80.3224 20.3646 -80.3222 2.40551 -20.4558 20.3646 -20.4557 58.2238 GPRESSAVG: 3401400 -24.7117 -81.6478 19.4226 -80.9937 2.50246 -21.7713 20.7469 -20.6726 58.9781 TIMING: 3401400 CPU: 10239.8, 0.00299863/step Wall: 10239.8, 0.00299863/step, 1.33156 hours remaining, 210.300781 MB of memory in use. ENERGY: 3401400 726.0434 2102.4339 1918.4643 101.7319 -205787.6462 17391.6686 0.0000 0.0000 34095.3062 -149451.9980 297.7628 -183547.3042 -149357.9477 299.2011 -54.5295 -21.9002 556072.0829 12.1629 12.2563 PRESSURE: 3401600 312.413 -69.0763 -105.029 -69.0769 -127.397 25.2633 -105.03 25.2637 101.224 GPRESSURE: 3401600 286.999 -102.093 -109.671 -70.5262 -41.2786 76.757 -196.58 54.2905 137.411 PRESSAVG: 3401600 37.4173 -32.8999 9.96969 -32.8998 -2.42356 -54.3076 9.96969 -54.3076 -6.16477 GPRESSAVG: 3401600 37.2645 -32.129 10.0357 -32.302 -0.682016 -52.1334 8.94877 -52.7193 -7.54404 TIMING: 3401600 CPU: 10240.4, 0.00299879/step Wall: 10240.4, 0.00299879/step, 1.33146 hours remaining, 210.300781 MB of memory in use. ENERGY: 3401600 734.5190 2104.8602 1939.6764 113.4879 -206353.3153 18013.8424 0.0000 0.0000 33854.1861 -149592.7433 295.6570 -183446.9294 -149498.3588 298.1611 95.4132 127.7103 557034.2866 9.6097 9.6795 PRESSURE: 3401800 5.73982 -20.037 -1.09073 -20.0375 -7.28753 84.8381 -1.08978 84.8393 -14.2824 GPRESSURE: 3401800 -2.09279 -16.4458 -80.1768 64.347 37.0851 85.6518 -20.2648 89.8996 46.9486 PRESSAVG: 3401800 -15.6398 6.48589 45.6724 6.48593 23.462 46.4667 45.6725 46.4667 15.3103 GPRESSAVG: 3401800 -15.7996 5.74428 44.6677 5.08571 22.9228 46.8031 45.4887 44.7974 17.0516 TIMING: 3401800 CPU: 10241, 0.00299252/step Wall: 10241, 0.00299251/step, 1.32851 hours remaining, 210.300781 MB of memory in use. ENERGY: 3401800 706.4022 2100.3114 1965.2319 112.8811 -206383.0094 17870.9156 0.0000 0.0000 34240.0468 -149387.2204 299.0268 -183627.2672 -149296.8955 298.3414 -5.2767 27.3136 557562.6862 7.7109 8.0583 PRESSURE: 3402000 -15.8367 -33.246 -19.7145 -33.244 -23.1274 3.43865 -19.7139 3.43854 -62.5148 GPRESSURE: 3402000 -16.6484 -27.214 26.675 20.1011 -19.6077 10.552 -100.681 -12.4379 15.05 PRESSAVG: 3402000 13.4509 70.0991 -8.69679 70.099 -49.0025 37.0527 -8.6968 37.0525 35.0805 GPRESSAVG: 3402000 13.8385 71.0408 -6.092 72.0115 -49.0747 35.6815 -9.69742 38.4045 34.983 TIMING: 3402000 CPU: 10241.6, 0.00299459/step Wall: 10241.6, 0.00299459/step, 1.32927 hours remaining, 210.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3402000 777.3172 2138.6314 1930.6957 120.8095 -206521.7898 17808.4285 0.0000 0.0000 34444.2593 -149301.6482 300.8103 -183745.9075 -149203.5443 299.6303 -33.8263 -7.0687 557183.4446 -0.1570 -0.0844 PRESSURE: 3402200 -68.1602 -92.6242 40.9761 -92.6253 -310.482 186.13 40.9757 186.129 -366.862 GPRESSURE: 3402200 -71.9382 -80.2365 -14.1668 -77.8146 -283.63 175.872 136.626 174.304 -291.615 PRESSAVG: 3402200 30.5837 23.136 0.86683 23.136 -2.21676 15.2585 0.866897 15.2586 -36.4039 GPRESSAVG: 3402200 31.0405 25.2823 -0.30352 18.8985 -2.04599 15.1571 1.68963 13.7596 -37.452 TIMING: 3402200 CPU: 10242.2, 0.00299295/step Wall: 10242.2, 0.00299295/step, 1.32837 hours remaining, 210.300781 MB of memory in use. ENERGY: 3402200 718.3942 2136.2982 1922.8288 119.7568 -206176.7353 17613.3230 0.0000 0.0000 34142.0440 -149524.0903 298.1710 -183666.1343 -149422.1447 298.9070 -248.5016 -215.7279 557982.4282 -2.6790 -2.8192 PRESSURE: 3402400 -1.09882 56.8925 209.57 56.8933 -175.076 18.2723 209.57 18.2718 -166.368 GPRESSURE: 3402400 20.3088 95.7418 152.13 68.2519 -149.946 34.0229 196.502 -5.62094 -109.824 PRESSAVG: 3402400 14.2917 15.5329 54.1181 15.5329 -33.5748 64.5156 54.1181 64.5157 18.6917 GPRESSAVG: 3402400 14.8796 13.7984 52.6046 17.8878 -33.8282 65.7001 55.178 65.2331 18.8698 TIMING: 3402400 CPU: 10242.8, 0.00297155/step Wall: 10242.8, 0.00297155/step, 1.31871 hours remaining, 210.371094 MB of memory in use. ENERGY: 3402400 766.8933 2132.9797 1909.1662 110.8873 -206212.2207 17588.2969 0.0000 0.0000 34162.5862 -149541.4111 298.3504 -183703.9973 -149449.1474 298.0118 -114.1808 -79.8203 556538.0425 -0.1971 -0.0263 PRESSURE: 3402600 -116.982 -166.174 79.0548 -166.175 -161.4 -33.3022 79.0546 -33.3029 11.9579 GPRESSURE: 3402600 -82.6418 -204.122 87.6279 -190.658 -143.55 -63.6398 37.297 -18.2084 64.3402 PRESSAVG: 3402600 -8.31716 -60.0909 -23.9066 -60.0909 -6.18194 -32.2198 -23.9066 -32.2199 -6.34525 GPRESSAVG: 3402600 -9.12943 -59.9839 -21.5478 -59.8874 -6.27779 -32.4324 -24.4384 -32.5438 -5.99598 TIMING: 3402600 CPU: 10243.3, 0.00294994/step Wall: 10243.3, 0.00294994/step, 1.30895 hours remaining, 210.371094 MB of memory in use. ENERGY: 3402600 764.5369 2061.3341 1954.7243 114.3628 -206396.9556 17771.7224 0.0000 0.0000 34207.1722 -149523.1029 298.7397 -183730.2750 -149422.1391 298.9507 -88.8079 -53.9506 556873.6831 -6.9481 -7.1344 PRESSURE: 3402800 -128.343 -135.964 -212.877 -135.964 191.344 170.19 -212.877 170.19 36.3647 GPRESSURE: 3402800 -94.3176 -192.864 -166.463 -115.287 215.2 179.214 -231.494 186.053 88.969 PRESSAVG: 3402800 43.1406 -34.4482 -20.3095 -34.4481 19.4688 -23.6805 -20.3095 -23.6805 -10.3821 GPRESSAVG: 3402800 42.7485 -33.0676 -18.7852 -33.4418 20.0562 -22.5265 -20.9104 -25.1831 -9.59264 TIMING: 3402800 CPU: 10243.9, 0.00296/step Wall: 10243.9, 0.00296/step, 1.31325 hours remaining, 210.371094 MB of memory in use. ENERGY: 3402800 722.1783 2140.4005 1951.1377 102.7685 -206333.5608 17797.9218 0.0000 0.0000 34094.5710 -149524.5830 297.7564 -183619.1540 -149427.3353 298.9145 33.1221 69.9504 555878.6591 17.4091 17.7374 PRESSURE: 3403000 -32.154 11.8799 -58.8986 11.8801 -18.3497 -76.1817 -58.8978 -76.1817 149.076 GPRESSURE: 3403000 30.6778 34.0321 -45.2393 17.457 30.3267 -51.6966 -2.24716 -93.644 130.39 PRESSAVG: 3403000 37.1721 -37.5861 -34.5107 -37.5862 -28.7253 -21.8712 -34.5107 -21.8712 -14.2043 GPRESSAVG: 3403000 39.8691 -38.838 -35.5285 -37.5527 -30.1002 -24.1984 -33.9865 -20.5631 -14.8284 TIMING: 3403000 CPU: 10244.5, 0.00297092/step Wall: 10244.5, 0.00297092/step, 1.31794 hours remaining, 210.371094 MB of memory in use. ENERGY: 3403000 762.6034 2109.5752 1928.6378 115.1077 -206636.6999 17839.8452 0.0000 0.0000 34394.7522 -149486.1783 300.3779 -183880.9305 -149393.0622 298.6069 32.8573 63.7983 555315.8088 -1.9192 -1.6865 PRESSURE: 3403200 -8.47878 -76.8373 -11.2518 -76.8365 -118.772 91.7463 -11.2506 91.7466 201.488 GPRESSURE: 3403200 27.4934 -37.3438 11.872 -113.808 -41.8788 77.8573 41.6975 70.3035 182.247 PRESSAVG: 3403200 51.7663 -15.9594 -3.17294 -15.9592 -87.7519 -24.4235 -3.173 -24.4235 36.1215 GPRESSAVG: 3403200 50.7604 -14.5871 -2.76162 -16.1783 -87.7675 -24.1555 -3.71737 -23.7035 37.2286 TIMING: 3403200 CPU: 10245.1, 0.00298385/step Wall: 10245.1, 0.00298385/step, 1.3235 hours remaining, 210.371094 MB of memory in use. ENERGY: 3403200 752.4552 2067.5464 1940.0267 113.4814 -206285.5848 17840.7073 0.0000 0.0000 34140.3820 -149430.9858 298.1564 -183571.3677 -149329.5284 299.0800 24.7457 55.9540 555145.9110 0.0453 0.0738 PRESSURE: 3403400 416.584 98.7347 33.63 98.7355 264.42 70.6594 33.6306 70.6583 119.117 GPRESSURE: 3403400 447.201 154.422 -39.3317 72.0146 339.875 45.3995 100.306 87.4683 109.938 PRESSAVG: 3403400 1.17122 0.302078 1.21276 0.302083 -21.7759 -8.19595 1.21287 -8.19594 19.1633 GPRESSAVG: 3403400 1.61599 0.361775 0.186355 0.636404 -21.3596 -7.3147 1.39493 -9.24113 19.053 TIMING: 3403400 CPU: 10245.7, 0.00298984/step Wall: 10245.7, 0.00298984/step, 1.326 hours remaining, 210.371094 MB of memory in use. ENERGY: 3403400 769.6738 2075.2415 1943.8430 114.8663 -206690.9251 18274.7661 0.0000 0.0000 34231.0531 -149281.4812 298.9483 -183512.5343 -149189.5180 299.2281 266.7069 299.0048 555587.9942 -0.4805 -0.2302 PRESSURE: 3403600 -5.17914 87.7938 -25.7616 87.7932 -159.708 -33.1916 -25.7626 -33.1911 -152.657 GPRESSURE: 3403600 -45.1101 62.908 -38.1459 132.31 -71.7824 -12.7539 -58.5364 -25.9484 -104.899 PRESSAVG: 3403600 20.7137 52.4935 5.04419 52.4934 0.600117 -34.5159 5.04422 -34.5158 1.71073 GPRESSAVG: 3403600 20.2217 52.8283 4.2116 51.558 1.32195 -34.2509 4.97385 -36.6352 0.926568 TIMING: 3403600 CPU: 10246.3, 0.00299155/step Wall: 10246.3, 0.00299155/step, 1.32659 hours remaining, 210.371094 MB of memory in use. ENERGY: 3403600 749.5401 2106.7990 1913.9742 99.2070 -206130.2552 17736.7334 0.0000 0.0000 34263.4015 -149260.6001 299.2308 -183524.0016 -149160.4329 299.3345 -105.8479 -73.9304 557805.2721 7.6748 7.4901 PRESSURE: 3403800 -51.5841 -204.844 102.376 -204.845 18.9278 24.2352 102.376 24.2343 -133.012 GPRESSURE: 3403800 -17.5227 -164.897 49.1086 -210.731 117.79 55.7012 145.147 78.6535 -161.691 PRESSAVG: 3403800 25.1008 -40.0446 19.2143 -40.0448 -26.0581 10.1166 19.2141 10.1165 -58.1179 GPRESSAVG: 3403800 26.4222 -39.3193 17.9636 -40.1027 -26.5266 9.23088 21.3015 12.0611 -58.5792 TIMING: 3403800 CPU: 10246.9, 0.00299127/step Wall: 10246.9, 0.00299127/step, 1.3263 hours remaining, 210.371094 MB of memory in use. ENERGY: 3403800 725.7891 2139.5019 1912.2851 105.7213 -206067.2851 17614.3668 0.0000 0.0000 34254.5531 -149315.0677 299.1535 -183569.6209 -149218.3402 299.4185 -55.2227 -20.4744 555971.3856 -19.6917 -19.5612 PRESSURE: 3404000 173.438 8.19367 73.9372 8.19365 49.5383 -179.504 73.9361 -179.504 -279.347 GPRESSURE: 3404000 151.702 -42.1027 148.44 25.0977 106.591 -196.72 34.5558 -109.907 -234.69 PRESSAVG: 3404000 38.0527 23.631 1.84094 23.631 36.4241 -67.662 1.84088 -67.662 -67.6583 GPRESSAVG: 3404000 37.4421 21.7887 3.73432 24.6448 37.3294 -67.5497 -0.0582688 -67.7336 -68.322 TIMING: 3404000 CPU: 10247.5, 0.00296371/step Wall: 10247.5, 0.00296371/step, 1.31391 hours remaining, 210.371094 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: 3404000 783.8312 2081.0800 1918.0886 118.4108 -206535.5292 17966.7294 0.0000 0.0000 34188.5961 -149478.7931 298.5775 -183667.3892 -149383.9081 299.3718 -18.7902 7.8676 556050.5457 2.2728 2.1498 PRESSURE: 3404200 324.52 -191.96 -18.3329 -191.96 76.0215 -45.1548 -18.3324 -45.1532 145.885 GPRESSURE: 3404200 346.976 -173.332 49.4749 -141.391 149.57 -91.4178 -25.1214 -46.9856 157.769 PRESSAVG: 3404200 15.529 48.9781 3.92839 48.9781 26.2008 1.28677 3.9284 1.2868 -36.4984 GPRESSAVG: 3404200 15.5779 49.199 6.06599 49.6347 24.9497 0.471173 1.68773 2.75977 -34.9157 TIMING: 3404200 CPU: 10248.1, 0.0029822/step Wall: 10248.1, 0.0029822/step, 1.32195 hours remaining, 210.371094 MB of memory in use. ENERGY: 3404200 740.2169 2057.5873 1930.0201 116.9442 -206543.0331 17957.6787 0.0000 0.0000 34229.6899 -149510.8960 298.9364 -183740.5859 -149403.2678 298.5004 182.1421 218.1050 555089.5746 1.7438 1.8706 LDB: ============= START OF LOAD BALANCING ============== 10251.6 LDB: ============== END OF LOAD BALANCING =============== 10251.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10251.6 LDB: ============= START OF LOAD BALANCING ============== 10251.9 LDB: Largest compute 4802 load 0.028801 is 24.4% of average load 0.118209 LDB: Average compute 0.001738 is 1.5% of average load 0.118209 LDB: TIME 10251.9 LOAD: AVG 0.118209 MAX 0.205778 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.746 MB LDB: TIME 10251.9 LOAD: AVG 0.118209 MAX 0.205778 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.949 MB LDB: TIME 10251.9 LOAD: AVG 0.118209 MAX 0.205778 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.949 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10251.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10251.9 PRESSURE: 3404400 -52.7074 -73.8688 -172.761 -73.869 54.4978 -131.851 -172.763 -131.853 -100.249 GPRESSURE: 3404400 -39.4799 -80.16 -114.55 -131.649 43.9285 -121.477 -227.741 -139.503 3.62544 PRESSAVG: 3404400 33.4229 -35.7562 -14.5742 -35.7562 -45.1824 2.1463 -14.5742 2.14633 -0.290752 GPRESSAVG: 3404400 33.2424 -35.3945 -17.9741 -39.1836 -45.2187 3.05698 -11.6955 1.50094 -0.519065 TIMING: 3404400 CPU: 10248.7, 0.00303676/step Wall: 10248.7, 0.00303676/step, 1.34596 hours remaining, 209.199219 MB of memory in use. ENERGY: 3404400 751.0861 2109.5907 1917.1302 110.4319 -206366.5157 17734.9172 0.0000 0.0000 34320.8776 -149422.4821 299.7328 -183743.3597 -149316.1093 298.8081 -32.8196 2.6913 556598.6812 -4.0168 -4.1651 PRESSURE: 3404600 -245.503 -74.4987 -125.552 -74.4983 162.188 50.7389 -125.552 50.7381 179.948 GPRESSURE: 3404600 -213.881 -66.8936 -21.6593 -78.7331 200.118 34.2842 -129.19 -7.4349 202.051 PRESSAVG: 3404600 -12.7481 -17.3347 -34.196 -17.3347 -77.655 -34.6218 -34.196 -34.6218 99.2164 GPRESSAVG: 3404600 -13.5233 -18.2715 -34.6981 -16.1661 -77.9674 -33.1163 -34.4383 -36.6403 100.048 TIMING: 3404600 CPU: 10249.3, 0.00295793/step Wall: 10249.3, 0.00295793/step, 1.31086 hours remaining, 209.199219 MB of memory in use. ENERGY: 3404600 754.7524 2054.1512 1928.5044 112.0241 -206291.3360 17718.1788 0.0000 0.0000 34203.1309 -149520.5941 298.7044 -183723.7250 -149423.4752 299.1969 32.2108 62.7627 554849.5904 2.9378 2.8524 PRESSURE: 3404800 1.95527 108.594 64.7256 108.594 -157.955 -67.1513 64.7243 -67.1547 -224.298 GPRESSURE: 3404800 29.6742 148.579 113.928 125.268 -154.092 20.9616 47.4498 -71.18 -161.853 PRESSAVG: 3404800 -88.478 12.0689 -1.10532 12.0689 -21.5346 -8.13029 -1.1054 -8.13032 95.5725 GPRESSAVG: 3404800 -88.63 13.2119 0.174706 14.9593 -20.3765 -6.59261 -1.70032 -8.1674 94.767 TIMING: 3404800 CPU: 10249.9, 0.00294961/step Wall: 10249.9, 0.00294961/step, 1.307 hours remaining, 209.199219 MB of memory in use. ENERGY: 3404800 746.9838 2091.2575 1924.9762 132.5532 -206269.0624 17739.0248 0.0000 0.0000 34293.8885 -149340.3785 299.4971 -183634.2670 -149247.8772 298.5631 -126.7660 -95.4233 556116.8206 -4.8133 -4.7465 PRESSURE: 3405000 66.0231 -20.2765 124.601 -20.2776 55.2573 -126.526 124.601 -126.528 -207.442 GPRESSURE: 3405000 104.677 4.61868 196.198 -21.5245 85.0718 -127.43 63.1999 -69.5267 -182.853 PRESSAVG: 3405000 11.8493 1.03042 8.13204 1.03046 -28.8053 -28.9858 8.13205 -28.9857 67.6029 GPRESSAVG: 3405000 12.3135 -1.59982 9.9629 -0.902961 -29.5517 -30.3185 4.25122 -27.5029 67.8599 TIMING: 3405000 CPU: 10250.5, 0.00295327/step Wall: 10250.5, 0.00295327/step, 1.30846 hours remaining, 209.199219 MB of memory in use. ENERGY: 3405000 761.1805 2127.4190 1962.1203 111.7307 -206255.2695 17860.2425 0.0000 0.0000 34215.9101 -149216.6665 298.8161 -183432.5766 -149121.1110 299.5420 -28.7204 2.2984 556775.0273 16.8823 16.8739 PRESSURE: 3405200 13.12 87.4206 -160.243 87.4204 346.153 202.175 -160.244 202.175 -46.4601 GPRESSURE: 3405200 86.3183 76.8046 -121.211 100.424 351.298 285.55 -100.969 203.681 -37.7924 PRESSAVG: 3405200 -11.0112 -29.6762 22.0373 -29.6762 31.6347 8.9077 22.0373 8.90767 -3.20341 GPRESSAVG: 3405200 -11.3384 -26.0223 19.7056 -30.4853 31.7628 7.7427 25.8295 8.72728 -2.93354 TIMING: 3405200 CPU: 10251.1, 0.00296357/step Wall: 10251.1, 0.00296357/step, 1.31286 hours remaining, 209.199219 MB of memory in use. ENERGY: 3405200 722.4402 2123.9150 1924.8182 112.5166 -206316.8602 17797.5177 0.0000 0.0000 34321.9322 -149313.7202 299.7420 -183635.6525 -149219.4630 299.5004 104.2710 133.2747 556265.9109 5.8067 5.8303 PRESSURE: 3405400 -59.7106 31.9422 119.336 31.9424 -139.798 -128.139 119.335 -128.137 9.03933 GPRESSURE: 3405400 -44.08 45.2201 166.235 19.1394 -82.0261 -134.128 93.275 -179.579 31.4189 PRESSAVG: 3405400 -19.0593 -22.5151 -43.1227 -22.5151 4.03878 25.0039 -43.1227 25.0039 -26.8846 GPRESSAVG: 3405400 -19.9575 -24.461 -42.1975 -22.0847 5.33475 25.321 -43.5576 23.7145 -26.8896 TIMING: 3405400 CPU: 10251.7, 0.0029939/step Wall: 10251.7, 0.0029939/step, 1.32613 hours remaining, 209.199219 MB of memory in use. ENERGY: 3405400 787.0500 2122.5173 1935.2828 116.8376 -206233.9986 17761.4597 0.0000 0.0000 34050.1194 -149460.7318 297.3682 -183510.8512 -149364.1219 299.0375 -63.4896 -31.5624 556891.5006 -13.9684 -13.8374 PRESSURE: 3405600 -347.889 -41.958 -155.61 -41.9585 -262.022 -87.4308 -155.61 -87.4305 59.6179 GPRESSURE: 3405600 -350.977 -56.7907 -84.5072 -0.901491 -245.46 11.6642 -108.72 -154.088 139.026 PRESSAVG: 3405600 -61.0109 -29.6408 -30.8818 -29.6408 -5.10235 -0.7089 -30.8818 -0.708904 78.779 GPRESSAVG: 3405600 -59.7904 -28.9802 -30.7519 -29.0398 -6.44569 -0.343468 -30.9926 -0.88349 79.8365 TIMING: 3405600 CPU: 10252.3, 0.00298369/step Wall: 10252.3, 0.00298369/step, 1.32145 hours remaining, 209.199219 MB of memory in use. ENERGY: 3405600 720.3735 2111.8897 1942.0997 112.2034 -205963.4892 17351.2157 0.0000 0.0000 34239.9037 -149485.8035 299.0256 -183725.7072 -149390.6035 299.0341 -183.4310 -152.4703 556444.1989 4.2219 4.5335 PRESSURE: 3405800 -105.023 116.514 -125.24 116.514 -61.5806 -45.2574 -125.239 -45.2563 25.4507 GPRESSURE: 3405800 -128.663 99.6883 -109.34 56.2152 -45.5491 56.4209 -166.427 -74.0874 114.762 PRESSAVG: 3405800 -24.5127 -43.2318 -34.6289 -43.2318 -17.1617 16.9736 -34.6289 16.9736 38.2807 GPRESSAVG: 3405800 -24.9581 -43.977 -37.0929 -42.8733 -16.3679 16.0928 -33.1228 17.7812 37.377 TIMING: 3405800 CPU: 10252.9, 0.00296566/step Wall: 10252.9, 0.00296566/step, 1.31329 hours remaining, 209.199219 MB of memory in use. ENERGY: 3405800 695.2774 2123.1069 1960.0111 111.4438 -206368.4845 17800.1657 0.0000 0.0000 34230.5009 -149447.9787 298.9435 -183678.4797 -149345.5914 298.9702 -47.0510 -19.8167 556824.5334 -1.1312 -1.3163 PRESSURE: 3406000 69.5651 -47.1963 126.995 -47.1963 82.0938 -88.5784 126.993 -88.5777 203.307 GPRESSURE: 3406000 125.131 -96.6522 134.543 -70.3247 81.101 24.6342 104.477 -80.3528 240.974 PRESSAVG: 3406000 -37.299 -17.2848 11.0923 -17.2849 -27.9415 0.0330226 11.0924 0.0330369 60.8905 GPRESSAVG: 3406000 -38.607 -15.1652 12.863 -17.921 -28.6171 1.71074 8.17065 -1.84747 62.5495 TIMING: 3406000 CPU: 10253.5, 0.00298558/step Wall: 10253.5, 0.00298558/step, 1.32195 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: 3406000 741.3622 2095.9136 1918.9726 111.1659 -206812.0001 18005.0014 0.0000 0.0000 34394.6828 -149544.9015 300.3773 -183939.5843 -149445.5142 299.0221 118.3221 149.0687 555414.8164 -1.4500 -1.5582 PRESSURE: 3406200 257.246 56.729 84.9002 56.7292 -181.672 -47.6777 84.8994 -47.6765 -81.4004 GPRESSURE: 3406200 400.411 24.5868 47.7962 103.253 -237.365 -48.7393 44.5611 -104.25 -68.8707 PRESSAVG: 3406200 -56.2602 -29.9327 31.951 -29.9327 -40.4303 -81.5555 31.951 -81.5555 98.7627 GPRESSAVG: 3406200 -53.9733 -30.1309 31.8254 -31.4759 -39.9337 -84.6909 33.033 -78.7533 96.0932 TIMING: 3406200 CPU: 10254.1, 0.00298918/step Wall: 10254.1, 0.00298918/step, 1.32338 hours remaining, 209.199219 MB of memory in use. ENERGY: 3406200 757.3092 2066.5288 1943.0545 127.3123 -206362.8616 17848.3730 0.0000 0.0000 34218.8341 -149401.4497 298.8416 -183620.2838 -149310.8147 298.1332 -1.9422 31.3916 555766.1201 0.6908 0.7287 PRESSURE: 3406400 -138.974 -34.5707 -24.887 -34.5716 -245.862 -11.5312 -24.887 -11.5314 -91.4607 GPRESSURE: 3406400 -123.518 32.4875 56.535 -88.0359 -186.377 17.4953 -20.1419 -93.9512 -64.4511 PRESSAVG: 3406400 53.9167 12.4375 38.1406 12.4374 -39.2569 20.4576 38.1406 20.4575 -34.5264 GPRESSAVG: 3406400 52.4282 11.9285 37.035 13.9551 -39.4028 22.3747 39.5107 15.7079 -33.1929 TIMING: 3406400 CPU: 10254.7, 0.00298122/step Wall: 10254.7, 0.00298122/step, 1.31969 hours remaining, 209.460938 MB of memory in use. ENERGY: 3406400 775.3242 2087.6084 1967.6787 109.5047 -206179.7905 17721.7977 0.0000 0.0000 34194.1499 -149323.7269 298.6260 -183517.8768 -149217.8053 298.5348 -158.7657 -124.7820 556850.4195 -6.6222 -6.7225 PRESSURE: 3406600 -86.968 -129.468 -6.50772 -129.468 -33.3957 48.7794 -6.50728 48.7789 -170.734 GPRESSURE: 3406600 -49.7845 -65.596 -58.2589 -107.509 29.8095 -72.9069 -73.152 31.5785 -165.022 PRESSAVG: 3406600 -25.9946 -18.9184 -44.0098 -18.9185 -7.48466 12.6056 -44.0098 12.6056 -16.3864 GPRESSAVG: 3406600 -26.5274 -18.3947 -43.5501 -20.537 -7.0516 10.7156 -45.0257 15.3264 -15.9103 TIMING: 3406600 CPU: 10255.3, 0.00297222/step Wall: 10255.3, 0.00297222/step, 1.31554 hours remaining, 209.460938 MB of memory in use. ENERGY: 3406600 766.1919 2121.8160 1945.3248 122.4496 -205985.8606 17595.3536 0.0000 0.0000 34196.8984 -149237.8263 298.6500 -183434.7247 -149142.7744 300.0026 -97.0326 -61.6656 557766.7059 -16.6219 -16.4964 PRESSURE: 3406800 107.376 -100.858 63.3772 -100.859 -60.2743 122.849 63.3779 122.848 -275.43 GPRESSURE: 3406800 117.59 -74.7894 58.7497 -213.35 -15.3335 87.0348 79.2839 64.8337 -235.131 PRESSAVG: 3406800 41.1073 -43.6631 -30.4376 -43.6631 14.8924 63.9759 -30.4376 63.9759 -23.5455 GPRESSAVG: 3406800 42.7253 -43.7637 -29.0238 -45.7419 15.0587 65.7953 -29.9867 63.4158 -24.556 TIMING: 3406800 CPU: 10255.9, 0.00297713/step Wall: 10255.9, 0.00297713/step, 1.31754 hours remaining, 209.460938 MB of memory in use. ENERGY: 3406800 762.0226 2050.3003 1942.2306 125.4997 -206117.7838 17759.2811 0.0000 0.0000 34276.6993 -149201.7504 299.3469 -183478.4496 -149103.8295 299.4200 -76.1093 -44.2917 557574.6478 10.8181 11.0760 PRESSURE: 3407000 -138.372 94.2866 55.5944 94.2861 -32.5393 141.429 55.5945 141.43 36.2391 GPRESSURE: 3407000 -41.9357 97.3416 47.6305 22.7685 -17.6365 119.383 44.0398 84.6579 39.8915 PRESSAVG: 3407000 -52.8182 -14.24 -18.857 -14.2401 69.3145 47.228 -18.857 47.228 4.75875 GPRESSAVG: 3407000 -53.1559 -14.5371 -19.5933 -11.9645 68.6216 46.4395 -20.0816 48.2413 5.73677 TIMING: 3407000 CPU: 10256.4, 0.00299471/step Wall: 10256.4, 0.00299471/step, 1.32516 hours remaining, 209.460938 MB of memory in use. ENERGY: 3407000 760.0274 2089.1331 1954.7471 107.8299 -206290.0074 17828.0287 0.0000 0.0000 34353.5811 -149196.6602 300.0184 -183550.2413 -149095.9907 299.1162 -44.8906 -6.5602 557188.8095 7.0850 7.0675 PRESSURE: 3407200 -53.4295 -13.0058 -132.509 -13.0057 -73.6824 90.0539 -132.509 90.0528 -85.3501 GPRESSURE: 3407200 -26.1798 27.8252 -161.322 -63.1668 -77.3834 36.3379 -100.121 125.224 -15.4685 PRESSAVG: 3407200 -62.4469 20.3067 3.70154 20.3066 -56.2864 28.6801 3.70152 28.6801 71.0625 GPRESSAVG: 3407200 -62.1125 18.9916 3.68903 22.2677 -56.1017 27.1693 5.88126 29.4428 70.5298 TIMING: 3407200 CPU: 10257, 0.00297232/step Wall: 10257, 0.00297232/step, 1.31509 hours remaining, 209.460938 MB of memory in use. ENERGY: 3407200 791.1429 2080.0991 1972.5325 107.4414 -206667.9858 18055.0964 0.0000 0.0000 34400.5195 -149261.1541 300.4283 -183661.6736 -149174.2484 299.7056 -70.8207 -39.6773 557598.8175 -15.8903 -15.8948 PRESSURE: 3407400 -221.586 -102.427 -120.64 -102.426 -266.133 64.2365 -120.64 64.2362 -349.003 GPRESSURE: 3407400 -212.832 -116.243 -108.311 -115.446 -246.576 138.804 -121.286 -58.644 -286.808 PRESSAVG: 3407400 8.4935 -2.81917 -25.714 -2.81913 13.4041 9.19907 -25.714 9.19906 0.462878 GPRESSAVG: 3407400 8.55755 -3.52353 -25.6966 -3.66826 12.9454 11.2935 -28.7761 6.37057 0.65043 TIMING: 3407400 CPU: 10257.6, 0.00299537/step Wall: 10257.6, 0.00299537/step, 1.32512 hours remaining, 209.597656 MB of memory in use. ENERGY: 3407400 765.9806 2139.3997 1931.7106 117.1593 -206223.0524 17749.7136 0.0000 0.0000 34175.4777 -149343.6109 298.4629 -183519.0886 -149243.2902 299.5659 -278.9074 -248.7388 559505.6226 7.4535 7.3845 PRESSURE: 3407600 91.4939 -82.5812 -32.4183 -82.5818 -86.4894 48.0727 -32.4184 48.0723 -168.273 GPRESSURE: 3407600 105.222 -29.2736 -35.4574 -146.324 -36.6757 18.9946 98.4613 38.692 -149.148 PRESSAVG: 3407600 36.3641 -68.0825 2.65105 -68.0826 -70.0264 46.1532 2.65093 46.1531 18.5457 GPRESSAVG: 3407600 36.5707 -66.6314 2.36637 -69.4041 -71.18 46.8109 5.06659 47.4429 19.6828 TIMING: 3407600 CPU: 10258.2, 0.00301632/step Wall: 10258.2, 0.00301633/step, 1.33422 hours remaining, 209.597656 MB of memory in use. ENERGY: 3407600 771.9379 2076.7693 1947.0025 111.5798 -206224.1678 17893.3116 0.0000 0.0000 34250.8759 -149172.6908 299.1214 -183423.5667 -149080.6044 298.8785 -54.4227 -26.8672 558665.4905 -5.0389 -4.9755 PRESSURE: 3407800 -72.6779 170.194 156.468 170.195 -248.745 -0.360184 156.468 -0.360653 -297.609 GPRESSURE: 3407800 -12.2086 190.005 266.902 165.533 -233.273 80.1734 32.2417 -101.995 -287.471 PRESSAVG: 3407800 35.5271 8.08542 23.0498 8.0854 -17.451 46.3449 23.0498 46.3448 -35.4533 GPRESSAVG: 3407800 35.1201 8.49349 22.3843 8.67016 -15.0022 42.3507 23.3358 48.8492 -36.993 TIMING: 3407800 CPU: 10258.8, 0.00301752/step Wall: 10258.8, 0.00301752/step, 1.33458 hours remaining, 209.597656 MB of memory in use. ENERGY: 3407800 760.4229 2098.4799 1955.9512 110.9514 -205810.2423 17575.4952 0.0000 0.0000 33993.7475 -149315.1941 296.8759 -183308.9416 -149217.9618 298.7779 -206.3438 -177.6510 559313.2576 -5.7924 -5.6250 PRESSURE: 3408000 -28.142 -57.4072 71.5923 -57.4045 -117.549 -90.475 71.5906 -90.4744 -286.662 GPRESSURE: 3408000 4.86582 9.98426 59.9782 -73.4514 -113.258 -140.859 65.3581 -81.1467 -236.004 PRESSAVG: 3408000 -0.0959729 13.6636 41.3097 13.6636 -71.2434 -4.90128 41.3097 -4.90136 66.9655 GPRESSAVG: 3408000 -0.436991 13.7429 41.8189 13.3491 -72.9883 -3.54171 40.8903 -6.45691 68.9947 TIMING: 3408000 CPU: 10259.5, 0.00301449/step Wall: 10259.5, 0.00301449/step, 1.33308 hours remaining, 209.597656 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: 3408000 753.6018 2095.8012 1936.4104 122.7422 -206171.2345 17804.1532 0.0000 0.0000 34354.2437 -149104.2820 300.0242 -183458.5257 -149010.9582 299.1734 -144.1179 -114.7989 558387.0117 -1.4580 -1.4768 PRESSURE: 3408200 0.853016 -10.563 -63.7717 -10.5618 115.961 -314.323 -63.7721 -314.324 97.4774 GPRESSURE: 3408200 46.3101 -43.8938 -84.5698 30.4248 153.682 -252.388 -106.721 -271.186 117.107 PRESSAVG: 3408200 15.4246 -69.399 5.20045 -69.399 -6.79815 -56.4266 5.20052 -56.4265 -3.88591 GPRESSAVG: 3408200 15.101 -71.1123 3.2053 -69.4877 -6.42663 -56.0469 5.55586 -56.5571 -4.59992 TIMING: 3408200 CPU: 10260.1, 0.00300566/step Wall: 10260.1, 0.00300566/step, 1.329 hours remaining, 209.597656 MB of memory in use. ENERGY: 3408200 742.2439 2135.2696 1913.3299 112.5714 -206118.0188 17876.3068 0.0000 0.0000 34274.8411 -149063.4561 299.3307 -183338.2972 -148961.3822 300.1832 71.4306 105.6997 557786.2025 1.5802 1.3581 LDB: ============= START OF LOAD BALANCING ============== 10263.6 LDB: ============== END OF LOAD BALANCING =============== 10263.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10263.6 LDB: ============= START OF LOAD BALANCING ============== 10263.9 LDB: Largest compute 4802 load 0.029210 is 24.7% of average load 0.118168 LDB: Average compute 0.001739 is 1.5% of average load 0.118168 LDB: TIME 10263.9 LOAD: AVG 0.118168 MAX 0.208429 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.84 MB LDB: TIME 10263.9 LOAD: AVG 0.118168 MAX 0.208429 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.84 MB LDB: TIME 10263.9 LOAD: AVG 0.118168 MAX 0.208429 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.84 MB LDB: ============== END OF LOAD BALANCING =============== 10263.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10263.9 PRESSURE: 3408400 91.8902 121.483 -8.72171 121.482 -239.669 -41.6513 -8.72149 -41.6526 -342.55 GPRESSURE: 3408400 128.212 94.961 -89.8122 85.6129 -264.42 -21.5166 40.6339 -72.9969 -266.573 PRESSAVG: 3408400 7.2773 36.2136 -45.8679 36.2136 4.16313 -11.4878 -45.868 -11.4879 1.72865 GPRESSAVG: 3408400 6.97839 36.6108 -45.3463 35.9333 5.03194 -10.648 -45.4007 -10.8877 1.54486 TIMING: 3408400 CPU: 10260.7, 0.00306055/step Wall: 10260.7, 0.00306055/step, 1.3531 hours remaining, 210.742188 MB of memory in use. ENERGY: 3408400 769.3463 2079.9891 1948.4542 106.6892 -206111.8903 17696.2540 0.0000 0.0000 34412.0114 -149099.1461 300.5287 -183511.1576 -149001.1823 299.8866 -163.4428 -134.2603 558645.3715 4.3897 4.5184 PRESSURE: 3408600 -165.05 47.8426 76.4962 47.8424 147.386 155.774 76.4967 155.776 -189.786 GPRESSURE: 3408600 -78.2418 37.2215 51.2755 12.2532 135.442 162.639 37.1044 213.621 -161.111 PRESSAVG: 3408600 -40.8869 25.9335 26.212 25.9334 76.0127 -18.7935 26.212 -18.7935 -104.365 GPRESSAVG: 3408600 -39.5851 27.6892 27.2344 27.986 74.932 -18.7601 23.7169 -18.3887 -104.647 TIMING: 3408600 CPU: 10261.3, 0.00303186/step Wall: 10261.3, 0.00303186/step, 1.34025 hours remaining, 210.812500 MB of memory in use. ENERGY: 3408600 743.2892 2112.1489 1948.5597 123.5293 -206088.8349 17631.3245 0.0000 0.0000 34254.6149 -149275.3684 299.1541 -183529.9834 -149178.7894 299.0469 -69.1499 -34.6369 557649.9497 -23.0798 -23.1000 PRESSURE: 3408800 92.942 52.7748 66.9084 52.7744 -107.084 18.1486 66.9078 18.1482 46.8291 GPRESSURE: 3408800 141.356 136.637 -11.062 -44.6173 -23.3441 -59.3636 37.3766 57.4528 -2.19213 PRESSAVG: 3408800 -10.8687 -0.582927 9.08993 -0.582879 62.8664 -33.5124 9.08992 -33.5124 -36.6231 GPRESSAVG: 3408800 -11.8853 -1.24478 10.0251 -0.328541 63.0558 -35.3893 9.38881 -35.0858 -35.6809 TIMING: 3408800 CPU: 10261.9, 0.00298418/step Wall: 10261.9, 0.00298418/step, 1.31901 hours remaining, 210.812500 MB of memory in use. ENERGY: 3408800 733.8318 2040.6365 1965.1798 116.8289 -206514.5673 17936.3014 0.0000 0.0000 34390.3099 -149331.4791 300.3391 -183721.7890 -149229.1557 299.5758 10.8958 38.6065 556736.1508 5.1249 5.1632 PRESSURE: 3409000 -306.801 -27.3023 32.5345 -27.3021 -52.5555 -25.3568 32.5332 -25.3562 -22.7666 GPRESSURE: 3409000 -246.02 -37.9701 -27.6742 -12.692 -43.5843 0.405888 64.5198 -33.5464 3.04958 PRESSAVG: 3409000 20.3786 -10.9551 6.35061 -10.9552 32.3546 -2.17717 6.35065 -2.17724 -16.2214 GPRESSAVG: 3409000 19.6588 -10.5838 5.96668 -12.6782 31.5202 -0.881798 5.96416 -0.770834 -14.8232 TIMING: 3409000 CPU: 10262.5, 0.00301957/step Wall: 10262.5, 0.00301957/step, 1.33448 hours remaining, 210.812500 MB of memory in use. ENERGY: 3409000 701.8686 2098.9996 1951.6533 108.6140 -206404.1051 17785.3784 0.0000 0.0000 34313.2651 -149444.3261 299.6663 -183757.5912 -149351.6536 299.2718 -127.3745 -95.5183 557855.8461 12.1706 12.1186 PRESSURE: 3409200 -273.01 21.1982 72.0299 21.1972 -45.5941 34.0444 72.0292 34.0473 -233.843 GPRESSURE: 3409200 -251.574 11.1911 72.7576 14.4695 -15.1858 15.6447 72.3828 12.1766 -195.474 PRESSAVG: 3409200 -8.11487 31.4323 -8.24078 31.4324 -6.36447 42.4298 -8.24071 42.4298 13.7617 GPRESSAVG: 3409200 -8.02496 31.3889 -8.88708 32.1083 -4.43375 42.1077 -6.6319 41.0917 11.6829 TIMING: 3409200 CPU: 10263.1, 0.00301722/step Wall: 10263.1, 0.00301722/step, 1.33327 hours remaining, 210.812500 MB of memory in use. ENERGY: 3409200 745.3099 2033.0778 1942.6076 113.1609 -206198.7932 17745.9887 0.0000 0.0000 34374.0980 -149244.5503 300.1975 -183618.6483 -149136.2171 299.2358 -184.1490 -154.0781 557480.0606 -0.2392 -0.2586 PRESSURE: 3409400 -250.153 194.992 187.893 194.992 -53.3244 -82.9136 187.892 -82.9137 -189.773 GPRESSURE: 3409400 -157.909 245.925 291.974 135.742 -82.7595 -52.033 168.065 -70.2235 -143.871 PRESSAVG: 3409400 -84.8908 20.9232 11.9654 20.9232 6.03571 56.2576 11.9655 56.2578 78.6228 GPRESSAVG: 3409400 -83.7118 18.881 11.4499 20.7006 4.79385 55.7771 11.2591 56.6213 78.7046 TIMING: 3409400 CPU: 10263.7, 0.00300348/step Wall: 10263.7, 0.00300348/step, 1.32704 hours remaining, 210.937500 MB of memory in use. ENERGY: 3409400 711.0132 2141.3754 1928.3690 118.8096 -205753.9249 17461.7270 0.0000 0.0000 34325.4659 -149067.1647 299.7728 -183392.6307 -148965.5346 299.6454 -164.4168 -128.1801 558352.1424 -0.0774 -0.0711 PRESSURE: 3409600 -97.8785 51.4039 178.981 51.404 197.235 -47.6427 178.98 -47.641 219.921 GPRESSURE: 3409600 -6.41053 105.256 169.643 1.13537 173.827 -22.2493 217.678 -68.1321 236.892 PRESSAVG: 3409600 -55.4899 23.2762 39.1856 23.2762 34.9519 -30.5875 39.1856 -30.5875 33.9904 GPRESSAVG: 3409600 -56.2333 25.1066 39.8167 21.9414 34.8937 -31.3219 39.4907 -30.4274 34.7016 TIMING: 3409600 CPU: 10264.3, 0.00299049/step Wall: 10264.3, 0.00299049/step, 1.32113 hours remaining, 210.937500 MB of memory in use. ENERGY: 3409600 753.4988 2091.1203 1951.7927 110.4714 -205946.1795 17846.7942 0.0000 0.0000 34249.1417 -148943.3603 299.1063 -183192.5020 -148852.8971 299.9906 106.4255 134.7696 557367.9983 4.4841 4.4540 PRESSURE: 3409800 66.1684 77.2164 130.792 77.217 27.0035 80.4371 130.791 80.4373 47.2945 GPRESSURE: 3409800 151.8 115.791 82.1632 167.906 24.6753 139.177 125.141 172.855 64.2798 PRESSAVG: 3409800 6.76069 -6.20317 -32.4335 -6.20308 -15.5804 -10.148 -32.4334 -10.1478 -4.7293 GPRESSAVG: 3409800 7.11987 -4.48516 -32.7077 -6.94741 -14.1012 -8.53696 -33.3542 -11.0603 -6.27176 TIMING: 3409800 CPU: 10264.9, 0.00299195/step Wall: 10264.9, 0.00299195/step, 1.32161 hours remaining, 210.937500 MB of memory in use. ENERGY: 3409800 748.1780 2053.5762 1937.4049 128.6777 -205787.3084 17732.0110 0.0000 0.0000 34479.5685 -148707.8919 301.1186 -183187.4605 -148608.6061 300.6908 46.8221 80.2516 557285.4248 -4.5163 -4.4177 PRESSURE: 3410000 -2.40288 -131.124 90.1429 -131.125 -30.4037 52.4428 90.1432 52.4427 1.83495 GPRESSURE: 3410000 131.165 -86.1243 110.321 -78.9434 -8.30517 53.2341 86.6868 67.6773 -65.7615 PRESSAVG: 3410000 69.4358 -28.756 -16.7777 -28.756 -46.6578 25.2967 -16.7778 25.2966 -30.8063 GPRESSAVG: 3410000 70.4539 -31.9708 -16.3371 -27.2506 -46.5938 26.1429 -15.864 25.0248 -31.5482 TIMING: 3410000 CPU: 10265.5, 0.00298751/step Wall: 10265.5, 0.00298751/step, 1.31948 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: 3410000 734.6640 2072.4152 1957.8819 114.7765 -205859.7009 17734.5568 0.0000 0.0000 34442.9523 -148802.4543 300.7989 -183245.4065 -148699.5992 300.8786 -10.3239 19.0328 558730.8189 -2.6761 -2.5627 PRESSURE: 3410200 -225.361 -16.9537 -102.519 -16.9547 -158.87 -25.1407 -102.518 -25.141 -14.7641 GPRESSURE: 3410200 -169.332 -77.4819 -135.878 20.0136 -138.193 3.10964 24.0143 -71.6866 5.71483 PRESSAVG: 3410200 41.9951 -51.4466 -33.9694 -51.4466 3.47034 26.1115 -33.9693 26.1114 -4.37384 GPRESSAVG: 3410200 42.148 -50.6168 -35.6192 -52.8177 2.88126 24.4698 -33.757 26.8346 -4.05683 TIMING: 3410200 CPU: 10266.1, 0.00298711/step Wall: 10266.1, 0.00298711/step, 1.31914 hours remaining, 210.937500 MB of memory in use. ENERGY: 3410200 775.7687 2112.3619 1966.3700 112.4611 -206046.1489 17833.1002 0.0000 0.0000 34348.5352 -148897.5519 299.9743 -183246.0870 -148794.8133 300.1593 -132.9985 -100.6031 559542.9042 13.6972 13.6575 PRESSURE: 3410400 -164.98 -41.5687 20.5014 -41.5683 21.5043 -13.767 20.5015 -13.768 62.3106 GPRESSURE: 3410400 -165.497 -89.3998 -7.7661 21.8857 99.6501 -68.9405 74.8196 25.6542 83.6962 PRESSAVG: 3410400 -10.4831 5.16333 14.9714 5.16343 -27.5234 -5.37788 14.9713 -5.37782 7.09173 GPRESSAVG: 3410400 -9.8775 6.31505 16.3256 5.19228 -28.1025 -4.20741 16.3537 -6.53196 7.09339 TIMING: 3410400 CPU: 10266.7, 0.00301297/step Wall: 10266.7, 0.00301297/step, 1.33039 hours remaining, 210.937500 MB of memory in use. ENERGY: 3410400 780.6487 2061.2891 1943.6603 109.9010 -206062.6925 17846.3340 0.0000 0.0000 34490.9349 -148829.9245 301.2179 -183320.8594 -148728.6615 300.5337 -27.0551 5.9498 560246.7231 -10.3049 -10.2955 PRESSURE: 3410600 -49.5974 -67.9363 -103.787 -67.9365 -46.7632 5.79215 -103.788 5.79351 -32.3909 GPRESSURE: 3410600 -20.6489 -33.636 -50.859 -76.1968 -46.8017 -23.2836 -105.29 26.7907 31.9566 PRESSAVG: 3410600 -10.1759 16.4383 -34.312 16.4383 -55.9939 -21.176 -34.312 -21.176 57.9826 GPRESSAVG: 3410600 -10.0433 17.2488 -33.3174 15.3323 -54.6559 -21.4009 -35.7126 -22.1329 56.9858 TIMING: 3410600 CPU: 10267.3, 0.00299209/step Wall: 10267.3, 0.00299209/step, 1.32101 hours remaining, 210.937500 MB of memory in use. ENERGY: 3410600 746.4280 2134.4507 1944.0730 110.5212 -205821.7807 17772.1307 0.0000 0.0000 34300.0797 -148814.0974 299.5511 -183114.1771 -148720.2414 300.5876 -42.9172 -11.8313 558367.7740 -2.7290 -2.5711 PRESSURE: 3410800 103.602 -91.4619 68.8451 -91.4637 -155.985 -206.968 68.8468 -206.966 -165.36 GPRESSURE: 3410800 93.6034 -133.115 45.3591 -77.6066 -154.171 -190.846 58.194 -158.123 -55.6923 PRESSAVG: 3410800 -0.504635 1.88343 -41.156 1.88337 19.2275 -22.1428 -41.156 -22.1429 3.515 GPRESSAVG: 3410800 -0.315745 -1.92952 -42.7536 2.2425 19.1873 -21.9411 -42.3027 -17.8891 3.89031 TIMING: 3410800 CPU: 10267.9, 0.00299246/step Wall: 10267.9, 0.00299246/step, 1.32101 hours remaining, 210.937500 MB of memory in use. ENERGY: 3410800 768.3611 2053.9950 1935.6409 116.3197 -206121.6896 17969.7761 0.0000 0.0000 34175.8698 -149101.7270 298.4664 -183277.5967 -148999.8790 300.4261 -72.5812 -38.7532 557103.7960 7.4126 7.5873 PRESSURE: 3411000 15.6415 -51.3843 -106.61 -51.3853 -87.2802 29.9129 -106.61 29.913 -24.1259 GPRESSURE: 3411000 67.4436 25.741 -92.9179 -30.5038 -29.0907 -17.1406 -132.483 90.4788 -34.6019 PRESSAVG: 3411000 14.1962 -13.5784 -30.6976 -13.5784 -45.0787 -54.2828 -30.6975 -54.283 -22.5066 GPRESSAVG: 3411000 14.6272 -9.87048 -29.6596 -14.2627 -45.9814 -56.6462 -30.323 -54.4669 -21.9476 TIMING: 3411000 CPU: 10268.5, 0.00300467/step Wall: 10268.5, 0.00300467/step, 1.32623 hours remaining, 210.937500 MB of memory in use. ENERGY: 3411000 763.5029 2110.2047 1941.4138 98.3954 -206372.2836 17990.7569 0.0000 0.0000 34381.3212 -149086.6887 300.2606 -183468.0099 -148989.8923 299.8580 -31.9215 1.2504 557722.3052 -17.7964 -17.7673 PRESSURE: 3411200 141.204 -3.29449 33.3882 -3.29637 221.886 -5.07704 33.3894 -5.07886 38.3214 GPRESSURE: 3411200 165.931 -53.2524 37.1615 46.8037 239.247 87.9607 3.40688 -63.4968 76.362 PRESSAVG: 3411200 43.6525 -45.9866 -36.7324 -45.9867 -1.57231 22.0975 -36.7324 22.0974 -29.5024 GPRESSAVG: 3411200 43.0161 -48.9884 -36.2247 -44.5615 -1.46165 24.1407 -38.0105 20.3054 -28.8644 TIMING: 3411200 CPU: 10269.1, 0.0029886/step Wall: 10269.1, 0.0029886/step, 1.31897 hours remaining, 210.937500 MB of memory in use. ENERGY: 3411200 782.4552 2190.0211 1938.7678 118.6508 -206093.4909 18002.8816 0.0000 0.0000 34220.6938 -148840.0206 298.8578 -183060.7144 -148749.2433 299.8325 133.8038 160.5133 557471.4746 4.1926 4.2300 PRESSURE: 3411400 -161.919 -1.51094 -125.349 -1.51113 -134.426 -125.802 -125.348 -125.801 -398.208 GPRESSURE: 3411400 -95.0326 -94.7418 -118.431 54.6019 -114.347 -157.755 -84.523 -73.8813 -385.251 PRESSAVG: 3411400 71.5647 56.5697 -24.5834 56.5698 7.54907 -16.9276 -24.5834 -16.9277 -62.2211 GPRESSAVG: 3411400 71.9491 58.4987 -27.4053 56.9652 6.85612 -19.2359 -22.4378 -12.7222 -62.2837 TIMING: 3411400 CPU: 10269.7, 0.00299855/step Wall: 10269.7, 0.00299855/step, 1.32319 hours remaining, 210.937500 MB of memory in use. ENERGY: 3411400 741.5026 2160.8073 1920.8753 120.0913 -205703.7695 17400.4980 0.0000 0.0000 34409.2101 -148950.7851 300.5042 -183359.9951 -148848.0536 300.2769 -231.5178 -198.2103 558876.7384 5.6309 5.5072 PRESSURE: 3411600 343.516 30.9996 78.4195 30.9992 -289.071 14.0239 78.4184 14.0226 157.277 GPRESSURE: 3411600 295.663 20.1751 36.3165 -22.2835 -215.972 -43.8474 75.8908 90.2598 225.56 PRESSAVG: 3411600 -15.2435 19.0711 6.85737 19.0711 24.382 -39.5816 6.85744 -39.5815 31.895 GPRESSAVG: 3411600 -15.9289 19.4314 7.19616 17.9 24.1974 -37.569 7.0916 -45.3859 32.6546 TIMING: 3411600 CPU: 10270.3, 0.00294788/step Wall: 10270.3, 0.00294788/step, 1.30067 hours remaining, 210.937500 MB of memory in use. ENERGY: 3411600 757.7305 2133.2263 1926.4515 117.4232 -206038.7974 17804.8498 0.0000 0.0000 34324.6494 -148974.4666 299.7657 -183299.1160 -148878.3183 300.1033 70.5743 101.7503 557704.5752 13.6779 13.6410 PRESSURE: 3411800 -233.925 -80.9518 -128.664 -80.9537 -175.201 -96.8035 -128.664 -96.8036 -167.038 GPRESSURE: 3411800 -171.892 -0.969974 -131.081 -82.4755 -129.375 -42.936 -91.7475 -130.396 -190.221 PRESSAVG: 3411800 -13.1484 3.8093 30.3153 3.80928 24.6789 4.89318 30.3154 4.89321 6.88415 GPRESSAVG: 3411800 -13.6886 3.0089 31.0515 4.90511 25.3663 5.01555 29.1763 7.02292 6.45183 TIMING: 3411800 CPU: 10270.9, 0.00299704/step Wall: 10270.9, 0.00299704/step, 1.32219 hours remaining, 210.937500 MB of memory in use. ENERGY: 3411800 766.5212 2123.9422 1926.9855 100.9629 -205931.2755 17584.5666 0.0000 0.0000 34458.2716 -148970.0255 300.9327 -183428.2971 -148867.8797 300.1604 -192.0546 -163.8293 558964.8055 6.1382 6.0432 PRESSURE: 3412000 -115.082 14.8196 -30.9184 14.8196 -66.0801 -44.1884 -30.9189 -44.1884 93.2211 GPRESSURE: 3412000 -38.5129 -67.1369 -46.0306 106.682 -65.5947 -43.4041 -69.8412 51.2302 106.019 PRESSAVG: 3412000 21.971 20.7328 5.37385 20.7327 -4.34611 17.4664 5.37381 17.4665 21.1579 GPRESSAVG: 3412000 23.2087 20.2328 5.97156 19.289 -4.98943 20.1574 5.10379 16.065 20.1986 TIMING: 3412000 CPU: 10271.5, 0.00297933/step Wall: 10271.5, 0.00297933/step, 1.31421 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: 3412000 739.3183 2089.5247 1941.8015 116.5990 -205926.5321 17718.5952 0.0000 0.0000 34320.5950 -149000.0984 299.7303 -183320.6934 -148910.2250 300.3005 -29.3136 0.6370 558772.3783 12.9276 12.8059 PRESSURE: 3412200 -289.528 39.1271 -63.0542 39.1256 -168.972 36.9522 -63.0545 36.9523 103.908 GPRESSURE: 3412200 -232.807 71.1452 -153.443 41.7538 -154.034 138.316 10.09 -11.6641 120.687 PRESSAVG: 3412200 -41.1302 27.1389 -54.9707 27.1388 49.0345 -45.9178 -54.9706 -45.9178 29.3427 GPRESSAVG: 3412200 -43.4625 26.9891 -55.4856 28.6617 49.8155 -50.1994 -55.5012 -44.633 30.3451 TIMING: 3412200 CPU: 10272.1, 0.00300195/step Wall: 10272.1, 0.00300195/step, 1.32403 hours remaining, 210.937500 MB of memory in use. ENERGY: 3412200 742.4720 2127.3129 1968.0444 113.7417 -205976.7947 17599.4747 0.0000 0.0000 34613.5633 -148812.1858 302.2889 -183425.7490 -148718.7616 300.3065 -118.1976 -88.7178 559392.9616 12.4157 12.2327 LDB: ============= START OF LOAD BALANCING ============== 10275.6 LDB: ============== END OF LOAD BALANCING =============== 10275.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10275.6 LDB: ============= START OF LOAD BALANCING ============== 10275.9 LDB: Largest compute 4802 load 0.027982 is 23.7% of average load 0.118159 LDB: Average compute 0.001735 is 1.5% of average load 0.118159 LDB: TIME 10275.9 LOAD: AVG 0.118159 MAX 0.209494 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.945 MB LDB: TIME 10275.9 LOAD: AVG 0.118159 MAX 0.209494 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.945 MB LDB: TIME 10275.9 LOAD: AVG 0.118159 MAX 0.209494 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.945 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10275.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10275.9 PRESSURE: 3412400 128.271 -6.22988 -28.5069 -6.23118 -121.366 141.125 -28.5079 141.125 101.351 GPRESSURE: 3412400 124.881 56.0917 5.3792 -23.0307 25.45 74.0507 -30.155 156.39 55.2394 PRESSAVG: 3412400 -35.6926 -7.93245 8.8487 -7.93252 8.21797 -0.693177 8.84867 -0.693128 27.2435 GPRESSAVG: 3412400 -34.9485 -6.29696 9.26856 -8.88384 8.88764 -0.576848 9.39088 -2.10493 26.6379 TIMING: 3412400 CPU: 10272.7, 0.00307579/step Wall: 10272.7, 0.00307579/step, 1.35642 hours remaining, 208.429688 MB of memory in use. ENERGY: 3412400 753.4416 2137.8411 1938.0697 113.5218 -205872.5310 17705.5258 0.0000 0.0000 34351.7008 -148872.4301 300.0019 -183224.1310 -148771.9998 300.0238 36.0851 68.5236 557032.6797 -0.0771 0.1924 PRESSURE: 3412600 52.9481 -61.8979 -43.0871 -61.8963 118.915 36.5087 -43.087 36.5097 -61.917 GPRESSURE: 3412600 59.4884 -71.7917 13.6545 -55.4017 154.973 66.9678 -40.8564 4.51399 -9.56865 PRESSAVG: 3412600 11.2884 -13.4121 -38.9461 -13.4121 -23.9896 -30.0319 -38.9461 -30.0318 18.8115 GPRESSAVG: 3412600 12.7403 -13.1447 -38.9741 -13.1108 -25.2096 -28.9288 -38.4564 -29.1567 18.2446 TIMING: 3412600 CPU: 10273.3, 0.0030046/step Wall: 10273.3, 0.0030046/step, 1.32486 hours remaining, 208.429688 MB of memory in use. ENERGY: 3412600 718.3788 2113.6689 1978.0240 106.2712 -205820.8830 17637.3241 0.0000 0.0000 34358.6364 -148908.5797 300.0625 -183267.2162 -148818.3532 300.1375 36.6487 68.2976 557670.9247 2.0368 1.9251 PRESSURE: 3412800 124.751 44.1575 21.9339 44.157 -99.6349 -323.426 21.9339 -323.425 58.9408 GPRESSURE: 3412800 169.483 46.6034 -4.38208 78.2333 -122.692 -291.246 -15.089 -379.526 137.03 PRESSAVG: 3412800 8.19949 6.21002 52.4246 6.21004 -37.7021 -82.2025 52.4246 -82.2026 63.6106 GPRESSAVG: 3412800 6.62201 5.86203 52.2074 6.90957 -36.8075 -81.8099 51.2249 -83.5863 64.7741 TIMING: 3412800 CPU: 10273.9, 0.0029769/step Wall: 10273.9, 0.0029769/step, 1.31248 hours remaining, 208.429688 MB of memory in use. ENERGY: 3412800 731.2057 2037.2038 1950.2774 108.2222 -206109.5175 17843.6224 0.0000 0.0000 34513.7778 -148925.2082 301.4174 -183438.9860 -148830.2369 300.0753 28.0189 61.2735 558765.0739 11.3693 11.5296 PRESSURE: 3413000 -21.1919 -25.2588 -95.9929 -25.2594 0.368637 -121.941 -95.991 -121.94 282.51 GPRESSURE: 3413000 -25.7761 -119.389 -101.287 -7.39933 63.961 -71.1521 -28.3029 -129.699 319.342 PRESSAVG: 3413000 -5.61059 69.7212 -53.4173 69.7212 -70.6401 -71.5099 -53.4173 -71.5099 33.5994 GPRESSAVG: 3413000 -5.65835 68.9362 -53.4791 69.8584 -70.612 -71.5425 -53.437 -71.5313 33.6083 TIMING: 3413000 CPU: 10274.5, 0.00299025/step Wall: 10274.5, 0.00299025/step, 1.3182 hours remaining, 208.429688 MB of memory in use. ENERGY: 3413000 728.4045 2092.6776 1927.0897 116.4458 -206052.3695 17903.1178 0.0000 0.0000 34401.5988 -148883.0352 300.4377 -183284.6340 -148788.3162 300.0398 87.2288 119.1757 558191.6285 -14.2171 -14.2207 PRESSURE: 3413200 71.6799 24.0965 -149.839 24.0966 -446.42 16.3225 -149.838 16.322 -287.759 GPRESSURE: 3413200 106.057 -24.4718 -139.321 11.3214 -415.007 82.7144 -135.142 -82.1718 -271.177 PRESSAVG: 3413200 -42.2953 -34.3204 -53.8966 -34.3204 20.0677 -48.9453 -53.8966 -48.9453 20.9172 GPRESSAVG: 3413200 -41.7405 -33.2227 -55.3037 -35.2628 20.1861 -48.1995 -51.2422 -47.7841 19.8524 TIMING: 3413200 CPU: 10275.1, 0.00300622/step Wall: 10275.1, 0.00300622/step, 1.32508 hours remaining, 208.429688 MB of memory in use. ENERGY: 3413200 688.8218 2166.9263 1920.7043 103.1410 -205558.1428 17262.4556 0.0000 0.0000 34355.0553 -149061.0385 300.0312 -183416.0938 -148960.9280 299.7835 -220.8332 -193.3756 559357.8925 -0.4368 -0.5673 PRESSURE: 3413400 198.661 11.4015 -104.955 11.4013 -123.472 -23.0559 -104.955 -23.0547 -48.1786 GPRESSURE: 3413400 220.957 -52.1443 -47.0054 52.7124 -142.598 -67.3402 -136.278 1.50438 46.0895 PRESSAVG: 3413400 33.209 -39.0877 -70.0341 -39.0877 2.55915 20.6973 -70.0341 20.6974 19.838 GPRESSAVG: 3413400 33.3606 -39.7954 -68.6454 -39.0935 2.14972 20.3726 -73.6714 21.6391 20.1281 TIMING: 3413400 CPU: 10275.7, 0.00302264/step Wall: 10275.7, 0.00302264/step, 1.33215 hours remaining, 208.429688 MB of memory in use. ENERGY: 3413400 754.7060 2119.8900 1952.6102 123.8326 -206082.5466 17750.5130 0.0000 0.0000 34324.9467 -149056.0481 299.7683 -183380.9948 -148965.9190 299.4008 9.0034 41.4828 557985.4449 18.5354 18.5461 PRESSURE: 3413600 6.51561 -25.7943 -41.6747 -25.7941 197.131 -60.0888 -41.6759 -60.0884 158.131 GPRESSURE: 3413600 43.013 66.5528 -35.9095 -85.558 226 -42.3511 -51.8863 -28.0223 182.384 PRESSAVG: 3413600 48.3706 -12.1863 -46.1809 -12.1863 -5.40143 -64.1718 -46.1809 -64.1717 -40.4467 GPRESSAVG: 3413600 47.7932 -9.73581 -45.8082 -11.804 -5.05549 -65.3727 -45.1383 -63.8769 -40.1599 TIMING: 3413600 CPU: 10276.3, 0.00300141/step Wall: 10276.3, 0.00300141/step, 1.32262 hours remaining, 208.429688 MB of memory in use. ENERGY: 3413600 757.9337 2075.8045 1940.8469 94.0321 -206304.3714 18126.5812 0.0000 0.0000 34317.8334 -148991.3395 299.7062 -183309.1729 -148895.7219 299.9135 120.5924 150.4657 557528.7648 0.8408 0.8592 PRESSURE: 3413800 -379.23 -64.0433 46.6633 -64.0426 -258.956 -70.2913 46.6643 -70.2921 179.099 GPRESSURE: 3413800 -342.753 -15.2068 92.5044 -15.5898 -241.703 -34.6365 -6.02792 -100.377 219.763 PRESSAVG: 3413800 14.5897 -71.5032 -13.7165 -71.5032 -0.934539 9.13569 -13.7166 9.13577 6.04795 GPRESSAVG: 3413800 15.3756 -74.0146 -15.3053 -72.2851 -2.48234 8.78278 -13.7797 9.26936 6.26788 TIMING: 3413800 CPU: 10276.9, 0.00299496/step Wall: 10276.9, 0.00299496/step, 1.31961 hours remaining, 208.429688 MB of memory in use. ENERGY: 3413800 752.3855 2133.7517 1951.3866 100.1026 -206171.4077 17652.5334 0.0000 0.0000 34476.8232 -149104.4246 301.0947 -183581.2478 -148999.7924 299.9319 -153.0288 -121.5643 557446.0169 6.5677 6.3871 PRESSURE: 3414000 -209.634 -29.1853 4.02086 -29.1844 -142.711 -19.3988 4.02072 -19.401 26.8741 GPRESSURE: 3414000 -187.431 -16.454 -48.4824 -39.7953 -95.782 33.1265 20.9245 -80.1394 48.7287 PRESSAVG: 3414000 -9.16768 -51.712 -26.4234 -51.7119 -18.2906 42.4097 -26.4234 42.4097 -8.07389 GPRESSAVG: 3414000 -8.84686 -52.0602 -27.405 -51.2208 -17.9892 42.9585 -24.416 43.0602 -8.99837 TIMING: 3414000 CPU: 10277.5, 0.00299121/step Wall: 10277.5, 0.00299121/step, 1.31779 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: 3414000 802.9039 2055.5562 1953.9127 104.8342 -206001.1120 17644.2657 0.0000 0.0000 34271.2862 -149168.3531 299.2997 -183439.6393 -149072.0498 299.6434 -108.4905 -78.1615 557105.2900 -11.8440 -11.9448 PRESSURE: 3414200 108.617 90.0461 -67.2788 90.0454 65.6595 170.253 -67.279 170.252 180.128 GPRESSURE: 3414200 114.498 83.6071 10.7215 94.6011 129.619 179.596 -51.3569 137.389 201.779 PRESSAVG: 3414200 31.0487 -23.077 21.3169 -23.077 21.9934 -4.78849 21.3169 -4.78853 -26.6419 GPRESSAVG: 3414200 30.2046 -21.5355 23.021 -25.3739 23.4735 -4.93095 19.0135 -6.9882 -27.5137 TIMING: 3414200 CPU: 10278.1, 0.00302504/step Wall: 10278.1, 0.00302504/step, 1.33253 hours remaining, 208.429688 MB of memory in use. ENERGY: 3414200 717.4991 2106.0976 1948.1144 127.6745 -206351.6240 17861.0414 0.0000 0.0000 34447.5713 -149143.6257 300.8392 -183591.1969 -149050.2576 299.8189 118.1348 148.6319 555032.2965 8.8000 8.7214 PRESSURE: 3414400 -45.6802 101.111 -60.9041 101.111 148.551 204.172 -60.9044 204.175 -54.4838 GPRESSURE: 3414400 -31.4999 -0.862666 11.5811 142.671 142.524 227.839 -115.44 139.771 26.3861 PRESSAVG: 3414400 65.5039 -60.2843 10.0513 -60.2842 -8.33162 20.1079 10.0512 20.1078 -61.3465 GPRESSAVG: 3414400 64.8743 -61.334 10.1703 -57.6493 -8.78579 21.2957 11.118 20.8154 -60.2087 TIMING: 3414400 CPU: 10278.7, 0.00301265/step Wall: 10278.7, 0.00301265/step, 1.3269 hours remaining, 208.429688 MB of memory in use. ENERGY: 3414400 760.6482 2080.2962 1941.3167 119.1067 -205958.6601 17752.6944 0.0000 0.0000 34212.0288 -149092.5692 298.7822 -183304.5980 -148997.8932 299.7495 16.1289 45.8033 557426.0332 -1.3914 -1.3734 PRESSURE: 3414600 -238.549 -14.0187 -83.6198 -14.0185 22.0958 17.2488 -83.62 17.249 -245.553 GPRESSURE: 3414600 -214.322 -99.5348 -43.1863 32.4375 44.7865 40.2888 -20.7392 -100.758 -204.98 PRESSAVG: 3414600 26.5517 -81.5028 11.1991 -81.5026 73.831 -16.0857 11.199 -16.0857 -62.572 GPRESSAVG: 3414600 28.1735 -81.7739 11.2472 -82.7379 73.3186 -15.6154 10.7203 -18.0088 -63.1841 TIMING: 3414600 CPU: 10279.3, 0.00297977/step Wall: 10279.3, 0.00297977/step, 1.31226 hours remaining, 208.429688 MB of memory in use. ENERGY: 3414600 707.0856 2104.9397 1934.1342 112.2191 -205957.3112 17566.4668 0.0000 0.0000 34155.5270 -149376.9387 298.2887 -183532.4657 -149275.2980 299.0245 -154.0019 -124.8384 558225.2574 12.6035 12.7693 PRESSURE: 3414800 54.8413 16.293 84.6402 16.2934 -31.2421 23.6734 84.6381 23.6742 -156.634 GPRESSURE: 3414800 99.5158 61.0257 18.3736 -22.3063 20.3871 55.9451 67.9423 63.2755 -154.623 PRESSAVG: 3414800 -7.95592 -7.10772 33.6507 -7.10783 -9.42503 -29.6701 33.6507 -29.6701 -16.1873 GPRESSAVG: 3414800 -9.17733 -5.60812 33.7029 -7.54922 -7.85061 -30.2844 33.6947 -25.6013 -16.3106 TIMING: 3414800 CPU: 10279.9, 0.00301357/step Wall: 10279.9, 0.00301357/step, 1.32698 hours remaining, 208.429688 MB of memory in use. ENERGY: 3414800 731.6059 2174.9553 1962.9872 122.3728 -206323.0061 17700.9501 0.0000 0.0000 34296.5513 -149333.5835 299.5203 -183630.1348 -149242.0042 298.9170 -44.3450 -11.5734 558237.1981 -11.1894 -11.1128 PRESSURE: 3415000 62.0509 43.4088 -27.9788 43.4096 -86.7051 -145.805 -27.9795 -145.806 11.8846 GPRESSURE: 3415000 96.9806 91.4126 -24.3609 -7.04043 -45.0588 -184.118 -38.0659 -83.5711 33.4006 PRESSAVG: 3415000 78.3867 44.7392 13.3633 44.7392 -104.017 7.44176 13.3634 7.44188 47.2304 GPRESSAVG: 3415000 78.3463 42.5022 11.8505 45.4809 -104.696 7.80173 14.716 4.91382 47.7601 TIMING: 3415000 CPU: 10280.5, 0.00299053/step Wall: 10280.5, 0.00299053/step, 1.31667 hours remaining, 208.632812 MB of memory in use. ENERGY: 3415000 772.2710 2073.0500 1930.8777 113.6633 -206136.5548 17732.7470 0.0000 0.0000 34139.0025 -149374.9432 298.1444 -183513.9457 -149275.3927 298.6966 -4.2565 28.4408 555946.9280 7.2000 7.1367 PRESSURE: 3415200 -33.9574 -144.55 -32.5525 -144.55 -107.802 118.808 -32.5526 118.807 226.437 GPRESSURE: 3415200 -39.368 -158.309 -46.5068 -72.4605 -85.3577 132.059 -122.966 100.029 310.494 PRESSAVG: 3415200 30.2202 1.51624 38.9098 1.51618 -39.7896 55.1516 38.9098 55.1516 37.9099 GPRESSAVG: 3415200 30.5201 3.16439 39.8626 1.20767 -40.3377 56.474 37.9539 55.6056 38.2955 TIMING: 3415200 CPU: 10281.1, 0.00298758/step Wall: 10281.1, 0.00298758/step, 1.3152 hours remaining, 208.632812 MB of memory in use. ENERGY: 3415200 781.6176 2166.6140 1938.4215 115.9169 -206662.0583 18008.3421 0.0000 0.0000 34058.6243 -149592.5219 297.4424 -183651.1462 -149508.3207 299.0018 28.2262 61.9228 556546.9127 9.4469 9.4926 PRESSURE: 3415400 -61.7823 170.455 139.03 170.455 260.694 153.635 139.03 153.636 249.883 GPRESSURE: 3415400 73.8954 194.379 72.2569 151.632 276.076 188.513 158.941 88.7574 204.719 PRESSAVG: 3415400 25.9178 13.0777 5.7204 13.0777 -1.14489 9.33377 5.7203 9.33368 34.9037 GPRESSAVG: 3415400 27.0649 12.9635 6.46246 13.3982 -2.10145 8.1018 5.4887 10.8389 34.9814 TIMING: 3415400 CPU: 10281.7, 0.0030073/step Wall: 10281.7, 0.0030073/step, 1.32371 hours remaining, 208.632812 MB of memory in use. ENERGY: 3415400 744.2998 2135.0138 1938.9684 114.0404 -207008.8237 18181.7024 0.0000 0.0000 34165.0144 -149729.7846 298.3716 -183894.7990 -149627.3584 298.1546 149.5982 184.8968 556594.6637 19.8922 19.9816 PRESSURE: 3415600 -46.3178 54.8254 0.286704 54.8255 -135.208 -51.7743 0.28662 -51.7746 -155.158 GPRESSURE: 3415600 -6.96157 -13.8921 63.4368 85.4309 -120.677 -139.406 37.8718 40.4807 -118.035 PRESSAVG: 3415600 -19.5485 1.56454 -5.21751 1.56463 -6.2733 6.61425 -5.21744 6.6143 17.8481 GPRESSAVG: 3415600 -20.7501 0.0904843 -6.13116 1.48642 -4.52096 5.87513 -5.81616 5.35371 17.3502 TIMING: 3415600 CPU: 10282.3, 0.00301769/step Wall: 10282.3, 0.00301769/step, 1.32812 hours remaining, 208.632812 MB of memory in use. ENERGY: 3415600 770.7475 2107.2189 1926.9789 101.9042 -206786.0282 17860.3006 0.0000 0.0000 34229.3358 -149789.5423 298.9333 -184018.8782 -149694.9094 297.1834 -112.2281 -81.8912 557660.7885 -2.6579 -2.6403 PRESSURE: 3415800 81.5254 -154.192 149.19 -154.192 69.5483 41.9315 149.191 41.932 -16.9235 GPRESSURE: 3415800 78.592 -216.685 82.9522 -118.819 69.3676 67.7537 204.168 -4.02336 76.0968 PRESSAVG: 3415800 -50.6566 -36.0221 29.9243 -36.022 -3.51153 -12.9339 29.9243 -12.934 15.6675 GPRESSAVG: 3415800 -48.9093 -34.657 30.7656 -36.1794 -4.88474 -12.5513 31.8409 -14.3383 15.514 TIMING: 3415800 CPU: 10282.9, 0.00299447/step Wall: 10282.9, 0.00299447/step, 1.31773 hours remaining, 208.632812 MB of memory in use. ENERGY: 3415800 749.8645 2067.8142 1914.6158 118.9602 -206862.9601 18033.4297 0.0000 0.0000 34153.1307 -149825.1450 298.2678 -183978.2757 -149724.7407 297.6348 44.7168 74.6855 556243.4227 -12.8335 -12.7600 PRESSURE: 3416000 -216.452 -22.1624 61.1927 -22.1621 -260.813 -16.0529 61.1947 -16.0526 -363.754 GPRESSURE: 3416000 -216.792 17.2194 77.7949 20.3954 -214.16 -14.6797 -20.8062 -81.0892 -311.143 PRESSAVG: 3416000 -32.1919 -8.10002 47.5998 -8.09996 28.6373 -41.6301 47.5997 -41.6301 2.43343 GPRESSAVG: 3416000 -33.2747 -9.2985 49.4031 -8.47498 30.1444 -41.6281 45.9573 -39.4386 1.95365 TIMING: 3416000 CPU: 10283.5, 0.00298683/step Wall: 10283.5, 0.00298683/step, 1.3142 hours remaining, 208.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3416000 744.5991 2092.7528 1951.8367 114.0717 -206397.3247 17523.4119 0.0000 0.0000 34229.6659 -149740.9865 298.9362 -183970.6524 -149643.9374 298.3338 -280.3397 -247.3651 557799.4286 -0.3737 -0.3922 PRESSURE: 3416200 -82.8655 109.984 3.52753 109.984 -91.9247 77.1039 3.52831 77.1038 224.852 GPRESSURE: 3416200 -62.8619 170.859 -0.54862 97.1927 -50.6324 -19.8785 93.5734 135.073 256.074 PRESSAVG: 3416200 -28.6828 56.0602 51.1266 56.0603 -10.6215 -46.1754 51.1265 -46.1754 35.4142 GPRESSAVG: 3416200 -29.2531 56.9938 48.9481 55.4335 -9.46536 -47.8749 51.4196 -45.7077 34.7195 TIMING: 3416200 CPU: 10284.1, 0.00299412/step Wall: 10284.1, 0.00299412/step, 1.31725 hours remaining, 208.632812 MB of memory in use. ENERGY: 3416200 768.5540 2090.6027 1924.6973 105.5707 -206557.3730 17890.8374 0.0000 0.0000 34147.2557 -149629.8552 298.2165 -183777.1109 -149535.0958 298.3233 16.6874 47.5267 555805.5761 -1.2967 -1.3330 LDB: ============= START OF LOAD BALANCING ============== 10287.6 LDB: ============== END OF LOAD BALANCING =============== 10287.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10287.6 LDB: ============= START OF LOAD BALANCING ============== 10287.9 LDB: Largest compute 4802 load 0.029422 is 24.9% of average load 0.118112 LDB: Average compute 0.001739 is 1.5% of average load 0.118112 LDB: TIME 10287.9 LOAD: AVG 0.118112 MAX 0.206717 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.172 MB LDB: TIME 10287.9 LOAD: AVG 0.118112 MAX 0.206717 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.375 MB LDB: TIME 10287.9 LOAD: AVG 0.118112 MAX 0.206717 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.375 MB LDB: ============== END OF LOAD BALANCING =============== 10287.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10287.9 PRESSURE: 3416400 -30.175 -178.33 -114.764 -178.331 82.6748 96.2057 -114.764 96.2051 336.08 GPRESSURE: 3416400 23.3363 -223.992 -99.6913 -121.24 124.115 38.0391 -2.09141 107.511 343.115 PRESSAVG: 3416400 -29.905 17.567 2.19116 17.567 23.4861 -19.7935 2.19112 -19.7934 -10.0835 GPRESSAVG: 3416400 -29.2248 18.506 3.6246 18.3737 21.1544 -19.4005 1.55387 -21.3007 -8.62223 TIMING: 3416400 CPU: 10284.7, 0.00304232/step Wall: 10284.7, 0.00304232/step, 1.33828 hours remaining, 209.710938 MB of memory in use. ENERGY: 3416400 758.7479 2050.0867 1937.1144 113.5288 -206603.2196 17932.3701 0.0000 0.0000 34345.6338 -149465.7380 299.9490 -183811.3718 -149367.7969 298.9830 129.5267 163.5220 555458.9117 -5.5008 -5.5642 PRESSURE: 3416600 170.173 -63.0626 32.8897 -63.0629 94.0662 14.8811 32.8899 14.8818 18.1756 GPRESSURE: 3416600 215.65 -53.4478 19.1052 31.0822 127.479 2.02811 59.0673 3.54755 40.154 PRESSAVG: 3416600 -27.4262 -28.8305 -24.5735 -28.8304 -39.5675 5.82058 -24.5734 5.82065 43.2197 GPRESSAVG: 3416600 -26.9571 -31.4002 -25.2066 -27.6416 -39.0081 6.72763 -23.2458 5.66028 42.5078 TIMING: 3416600 CPU: 10285.3, 0.00299651/step Wall: 10285.3, 0.00299651/step, 1.31796 hours remaining, 209.968750 MB of memory in use. ENERGY: 3416600 745.1873 2092.8699 1933.5570 118.1085 -206438.6862 18021.3461 0.0000 0.0000 34141.4775 -149386.1399 298.1660 -183527.6174 -149292.8780 298.9413 94.1384 127.7612 556688.0822 -7.9247 -7.8191 PRESSURE: 3416800 -221.235 -111.413 87.722 -111.413 -247.999 -22.4961 87.721 -22.4966 132.97 GPRESSURE: 3416800 -182.268 -99.5291 84.5742 -96.9348 -169.229 -76.0768 86.269 84.9344 121.751 PRESSAVG: 3416800 1.41387 -62.4536 24.2719 -62.4537 -7.51729 -32.4188 24.2718 -32.4187 -5.00728 GPRESSAVG: 3416800 2.1499 -62.4174 22.117 -62.9608 -8.41296 -34.4051 24.4684 -30.9177 -4.86537 TIMING: 3416800 CPU: 10285.9, 0.00303405/step Wall: 10285.9, 0.00303405/step, 1.33431 hours remaining, 209.968750 MB of memory in use. ENERGY: 3416800 748.3993 2059.8527 1945.6301 110.7648 -206647.2283 17789.2020 0.0000 0.0000 34354.1325 -149639.2469 300.0232 -183993.3794 -149539.0642 298.2846 -112.0879 -76.5819 556650.2991 -3.7036 -3.7095 PRESSURE: 3417000 -11.3197 -23.4953 -42.4714 -23.4961 265.363 1.01777 -42.4712 1.01635 93.6883 GPRESSURE: 3417000 16.764 -44.8072 7.54992 13.4161 319.043 53.0734 -82.0163 -95.6072 113.499 PRESSAVG: 3417000 -40.3235 -79.0385 -16.5042 -79.0385 1.50393 -56.4726 -16.5043 -56.4727 58.9521 GPRESSAVG: 3417000 -40.3005 -79.2589 -14.0838 -78.8642 2.32252 -54.3789 -17.8687 -59.0673 57.9381 TIMING: 3417000 CPU: 10286.5, 0.00303966/step Wall: 10286.5, 0.00303966/step, 1.33661 hours remaining, 209.968750 MB of memory in use. ENERGY: 3417000 737.5065 2096.1206 1928.7827 111.7321 -206519.2377 18017.5230 0.0000 0.0000 34004.2149 -149623.3579 296.9673 -183627.5728 -149529.3372 298.1409 115.9105 149.7684 558219.4996 6.7108 6.6534 PRESSURE: 3417200 -52.9554 -0.422003 -111.617 -0.422703 -82.226 170.435 -111.618 170.435 -136.542 GPRESSURE: 3417200 -2.19034 40.3574 -97.3247 -83.5859 -99.1716 267.762 -172.448 14.2352 -80.6965 PRESSAVG: 3417200 -34.0103 -51.2627 -3.00456 -51.2626 -47.3082 11.5083 -3.00463 11.5083 50.979 GPRESSAVG: 3417200 -33.9661 -49.0192 -2.85092 -52.662 -48.8405 11.7357 -2.48023 9.34632 52.3122 TIMING: 3417200 CPU: 10287.1, 0.0030298/step Wall: 10287.1, 0.0030298/step, 1.3321 hours remaining, 210.039062 MB of memory in use. ENERGY: 3417200 720.2136 2048.7087 1950.1331 123.3932 -206248.2884 17675.2210 0.0000 0.0000 34319.7264 -149410.8923 299.7227 -183730.6188 -149311.9283 299.1559 -90.5746 -60.6861 557452.0141 -10.1132 -10.1648 PRESSURE: 3417400 -301.898 -128.62 51.7349 -128.619 -55.2643 36.5594 51.7358 36.558 -137.421 GPRESSURE: 3417400 -314.827 -110.627 -29.9869 -121.661 -4.69803 81.2911 134.948 7.10803 -91.9407 PRESSAVG: 3417400 -29.5079 -25.4488 20.0115 -25.4488 -74.5029 9.33315 20.0114 9.333 49.0783 GPRESSAVG: 3417400 -30.3849 -25.6285 19.2189 -25.7677 -72.4263 7.87927 21.3679 11.4757 48.4411 TIMING: 3417400 CPU: 10287.7, 0.00303011/step Wall: 10287.7, 0.00303011/step, 1.33207 hours remaining, 210.039062 MB of memory in use. ENERGY: 3417400 777.7922 2068.3227 1959.5825 119.3785 -206232.4759 17565.9527 0.0000 0.0000 34309.1908 -149432.2566 299.6307 -183741.4474 -149335.5550 298.9829 -164.8610 -137.1553 558203.9618 -18.3108 -18.1234 PRESSURE: 3417600 185.561 -72.3365 174.54 -72.3356 -253.005 97.7589 174.539 97.76 -18.4983 GPRESSURE: 3417600 201.054 -15.3344 231.499 -50.611 -215.919 149.19 118.084 45.2132 27.4833 PRESSAVG: 3417600 66.7447 -26.2261 65.4594 -26.2262 -58.3892 4.05585 65.4593 4.05586 -13.2293 GPRESSAVG: 3417600 67.4534 -23.8251 65.9026 -24.5661 -60.0273 4.25123 64.7031 4.23499 -11.9682 TIMING: 3417600 CPU: 10288.3, 0.00301078/step Wall: 10288.3, 0.00301078/step, 1.32341 hours remaining, 210.039062 MB of memory in use. ENERGY: 3417600 763.4968 2095.2590 1974.7422 123.4546 -206321.3076 17685.9556 0.0000 0.0000 34282.3684 -149396.0309 299.3965 -183678.3993 -149305.9698 299.1211 -28.6475 4.2061 557155.4303 -1.6246 -1.5140 PRESSURE: 3417800 -31.1112 216.537 -51.2418 216.536 -83.761 -37.1102 -51.2435 -37.1102 -180.868 GPRESSURE: 3417800 16.0917 207.346 -97.1535 215.372 -97.3168 -38.7892 24.4636 -51.5585 -120.45 PRESSAVG: 3417800 -5.74484 20.1338 32.1188 20.1338 -74.2581 33.191 32.1188 33.191 85.6548 GPRESSAVG: 3417800 -6.11941 18.7716 32.8954 19.0021 -74.1019 33.4234 31.6054 34.7377 84.8211 TIMING: 3417800 CPU: 10288.9, 0.00296976/step Wall: 10288.9, 0.00296976/step, 1.30521 hours remaining, 210.242188 MB of memory in use. ENERGY: 3417800 772.2833 2085.7859 1964.6975 128.0269 -206158.3674 17717.1215 0.0000 0.0000 34171.3257 -149319.1264 298.4267 -183490.4522 -149224.2589 298.9398 -98.5802 -67.2250 558461.5214 1.8840 1.5333 PRESSURE: 3418000 3.01019 259.318 17.5935 259.319 -133.191 -200.045 17.5933 -200.046 -29.1485 GPRESSURE: 3418000 78.3687 222.328 -7.52434 244.71 -120.141 -198.225 56.6054 -289.73 -28.4634 PRESSAVG: 3418000 -12.4263 44.1332 58.971 44.1333 56.8353 -6.53995 58.971 -6.53978 -50.5019 GPRESSAVG: 3418000 -13.1255 43.9536 59.4304 46.3947 57.2597 -6.40012 57.1511 -6.54373 -50.0494 TIMING: 3418000 CPU: 10289.5, 0.00296322/step Wall: 10289.5, 0.00296322/step, 1.30217 hours remaining, 210.242188 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: 3418000 741.2270 2055.3383 1961.3551 127.4352 -206216.6085 17710.8365 0.0000 0.0000 34402.5769 -149217.8396 300.4463 -183620.4165 -149114.5891 298.5597 -53.1097 -23.4120 559368.3942 -2.0310 -1.9717 PRESSURE: 3418200 -174.755 -133.523 -23.3109 -133.524 139.839 -132.8 -23.3106 -132.801 -26.8689 GPRESSURE: 3418200 -101.13 -179.067 40.7685 -36.8357 177.397 -97.8558 -97.4392 -185.522 -29.2034 PRESSAVG: 3418200 -37.8324 -2.14736 -8.77005 -2.1473 66.4842 -10.9526 -8.77006 -10.9526 -7.08733 GPRESSAVG: 3418200 -36.1906 -3.97203 -10.2662 -1.10237 65.9931 -11.1529 -6.90181 -11.1028 -7.4088 TIMING: 3418200 CPU: 10290.1, 0.00295751/step Wall: 10290.1, 0.00295751/step, 1.2995 hours remaining, 210.242188 MB of memory in use. ENERGY: 3418200 759.0482 2093.7129 1937.3931 113.9066 -206083.3351 17689.0659 0.0000 0.0000 34229.6529 -149260.5556 298.9361 -183490.2085 -149161.8231 299.0717 -20.5951 15.6880 557866.6030 7.1882 7.4646 PRESSURE: 3418400 182.822 -89.3317 -91.5636 -89.3326 146.844 171.172 -91.5635 171.174 49.1641 GPRESSURE: 3418400 184.929 -150.467 -25.9583 -13.6021 165.689 112.859 -170.417 180.138 120.682 PRESSAVG: 3418400 -3.5068 19.1342 19.9455 19.1341 55.9716 3.00763 19.9456 3.00768 -55.846 GPRESSAVG: 3418400 -4.18175 20.4698 21.2398 16.8127 56.7194 3.21849 18.0122 3.01056 -55.6701 TIMING: 3418400 CPU: 10290.7, 0.00296562/step Wall: 10290.7, 0.00296562/step, 1.30289 hours remaining, 210.242188 MB of memory in use. ENERGY: 3418400 753.6162 2040.9265 1950.4430 109.7855 -206123.5951 17933.7628 0.0000 0.0000 34226.2664 -149108.7947 298.9065 -183335.0611 -149018.7862 298.9713 126.2765 157.1000 559063.6622 -1.1271 -1.0442 PRESSURE: 3418600 -182.621 38.7608 79.6762 38.762 -471.279 -74.8887 79.6764 -74.8883 -601.829 GPRESSURE: 3418600 -165.949 -9.34502 26.762 85.7505 -483.479 -31.0034 68.2257 -62.2279 -508.096 PRESSAVG: 3418600 13.8049 49.6982 -4.34876 49.6983 20.7779 21.3375 -4.34866 21.3375 -12.2795 GPRESSAVG: 3418600 14.1056 49.3682 -6.72191 49.0354 21.1273 22.4424 -0.398239 20.3398 -12.5708 TIMING: 3418600 CPU: 10291.3, 0.00297576/step Wall: 10291.3, 0.00297576/step, 1.30719 hours remaining, 210.242188 MB of memory in use. ENERGY: 3418600 793.3805 2043.6887 1923.9002 104.3828 -205451.7464 17418.9858 0.0000 0.0000 34264.7574 -148902.6509 299.2426 -183167.4083 -148808.6755 299.8293 -418.5764 -385.8415 561590.1882 7.4345 7.5540 PRESSURE: 3418800 67.0038 1.0688 139.695 1.06968 113.445 -95.4868 139.696 -95.4875 27.0012 GPRESSURE: 3418800 128.294 68.5991 121.406 -42.9864 137.763 -34.3351 98.0713 -150.714 22.0347 PRESSAVG: 3418800 19.1556 -6.31218 48.8687 -6.31216 -54.0162 -5.92001 48.8686 -5.92004 20.615 GPRESSAVG: 3418800 19.1913 -5.34006 50.2972 -5.55649 -54.7929 -7.03426 45.1342 -6.29597 21.2077 TIMING: 3418800 CPU: 10291.9, 0.00298893/step Wall: 10291.9, 0.00298893/step, 1.3128 hours remaining, 210.242188 MB of memory in use. ENERGY: 3418800 722.2746 2045.0897 1941.6921 104.2090 -205925.8881 17956.0459 0.0000 0.0000 34201.4516 -148955.1251 298.6898 -183156.5767 -148852.1977 300.2171 69.1501 96.0305 560916.8753 -4.7485 -4.7980 PRESSURE: 3419000 -16.0554 31.6821 -66.6963 31.6808 -93.4499 -92.7362 -66.6976 -92.7354 1.98611 GPRESSURE: 3419000 -25.5216 90.696 22.6731 -10.7446 -67.1943 -129.632 -118.398 -92.8771 78.033 PRESSAVG: 3419000 17.0803 28.2616 35.1355 28.2616 56.4042 -29.4292 35.1355 -29.4292 -71.512 GPRESSAVG: 3419000 16.6585 28.0439 36.0811 28.5907 57.5867 -28.2154 36.2528 -30.8 -71.7672 TIMING: 3419000 CPU: 10292.5, 0.00298893/step Wall: 10292.5, 0.00298893/step, 1.31264 hours remaining, 210.242188 MB of memory in use. ENERGY: 3419000 767.9405 2067.6282 1958.0626 127.6941 -205922.2087 17840.1433 0.0000 0.0000 34243.6220 -148917.1179 299.0581 -183160.7400 -148822.8574 299.8115 -35.8397 -4.8943 559076.7522 0.6575 0.8260 PRESSURE: 3419200 -93.5203 -140.786 -34.8291 -140.785 123.187 10.8473 -34.8288 10.8465 -93.0735 GPRESSURE: 3419200 -34.1645 -125.453 0.309487 -175.957 121.233 -11.6636 -9.40935 7.44183 -57.8771 PRESSAVG: 3419200 -16.5883 -15.2645 -26.7483 -15.2645 14.2257 -19.629 -26.7483 -19.6289 -2.44799 GPRESSAVG: 3419200 -16.3468 -15.5081 -30.415 -17.2674 14.0617 -21.9702 -27.2031 -17.9575 -2.35042 TIMING: 3419200 CPU: 10293.1, 0.00299933/step Wall: 10293.1, 0.00299933/step, 1.31704 hours remaining, 210.242188 MB of memory in use. ENERGY: 3419200 753.1279 2062.4731 1965.0977 107.0151 -206346.2920 17987.3727 0.0000 0.0000 34526.8714 -148944.3341 301.5318 -183471.2055 -148841.1497 300.7094 -21.1355 9.7304 559389.6598 -1.6035 -1.5452 PRESSURE: 3419400 194.348 -28.1397 -101.173 -28.1388 123.838 -87.8039 -101.173 -87.8035 88.3377 GPRESSURE: 3419400 191.086 71.9274 -104.996 -49.9943 217.904 -104.509 -60.5644 -66.3071 106.844 PRESSAVG: 3419400 -17.9733 -0.675462 38.099 -0.675419 43.5267 -32.5482 38.0991 -32.5481 -34.4895 GPRESSAVG: 3419400 -19.0339 -0.628795 41.1178 1.24489 43.1338 -31.2102 40.3415 -31.8676 -32.6619 TIMING: 3419400 CPU: 10293.7, 0.00304901/step Wall: 10293.7, 0.00304901/step, 1.33869 hours remaining, 210.242188 MB of memory in use. ENERGY: 3419400 763.2624 2034.5063 1961.3101 116.1009 -206295.6289 18099.2401 0.0000 0.0000 34351.0835 -148970.1256 299.9966 -183321.2091 -148871.1762 299.9774 135.5077 171.9445 558546.4066 -2.9787 -2.8540 PRESSURE: 3419600 251.978 65.9246 55.6812 65.9241 156.342 -220.18 55.6818 -220.177 -45.9639 GPRESSURE: 3419600 339.639 25.3149 64.9903 103.974 173.473 -149.506 88.5645 -223.016 -57.8907 PRESSAVG: 3419600 19.3006 72.1514 19.8636 72.1514 -38.3102 -50.3056 19.8636 -50.3056 18.505 GPRESSAVG: 3419600 20.4931 73.0937 19.6101 71.6819 -38.1518 -50.8138 19.4265 -50.0574 16.8181 TIMING: 3419600 CPU: 10294.3, 0.00300993/step Wall: 10294.3, 0.00300993/step, 1.32136 hours remaining, 210.242188 MB of memory in use. ENERGY: 3419600 797.2168 2044.3589 1951.2039 111.1031 -206391.3701 18178.2304 0.0000 0.0000 34398.7102 -148910.5468 300.4125 -183309.2570 -148815.0139 300.5784 120.7854 151.7403 558724.0092 -0.1682 -0.2802 PRESSURE: 3419800 119.065 35.5815 -27.6738 35.5813 -119.736 135.907 -27.6732 135.91 161.535 GPRESSURE: 3419800 137.439 132.708 -49.2943 40.1084 -63.3656 123.097 47.6674 171.337 174.429 PRESSAVG: 3419800 -40.7425 -2.80151 82.7979 -2.80151 -45.5166 -11.8236 82.798 -11.8237 107.35 GPRESSAVG: 3419800 -41.1906 -3.26286 82.8862 -1.7993 -45.3782 -12.845 84.0824 -11.7735 107.514 TIMING: 3419800 CPU: 10294.9, 0.0029779/step Wall: 10294.9, 0.0029779/step, 1.30713 hours remaining, 210.242188 MB of memory in use. ENERGY: 3419800 733.7036 2139.8259 1950.7032 104.9658 -206194.3412 17820.3665 0.0000 0.0000 34497.7764 -148946.9999 301.2777 -183444.7763 -148849.5569 300.0000 53.6212 82.8343 557491.2742 7.0301 6.9817 PRESSURE: 3420000 -281.216 -11.5763 -2.99445 -11.5754 -110.096 -134.321 -2.99402 -134.323 -162.66 GPRESSURE: 3420000 -271.937 -31.6281 6.44332 -75.9183 -37.5437 -204.493 -16.7633 -114.773 -143.998 PRESSAVG: 3420000 6.85033 -33.239 16.1593 -33.239 11.1993 -25.4772 16.1592 -25.4773 13.3658 GPRESSAVG: 3420000 7.24983 -32.9908 15.3824 -33.2613 9.94264 -23.7521 16.0462 -26.404 14.1205 TIMING: 3420000 CPU: 10295.5, 0.00299467/step Wall: 10295.5, 0.00299467/step, 1.31433 hours remaining, 210.242188 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: 3420000 752.3426 2109.5420 1955.2355 107.0283 -205881.4404 17623.0044 0.0000 0.0000 34500.5369 -148833.7507 301.3018 -183334.2876 -148725.3623 300.3326 -184.6573 -151.1595 558840.0399 10.4718 10.4377 PRESSURE: 3420200 24.2848 168.926 75.0428 168.925 -17.3919 -115.017 75.0441 -115.017 62.5015 GPRESSURE: 3420200 69.3571 168.831 124.81 135.796 -15.2061 8.7689 69.1582 -67.3501 107.128 PRESSAVG: 3420200 22.6615 -2.50884 5.86657 -2.50881 38.4472 3.0515 5.8666 3.05159 -16.7736 GPRESSAVG: 3420200 22.3073 -3.34185 6.81601 -3.63659 40.6218 4.26573 3.37401 4.48221 -18.2011 TIMING: 3420200 CPU: 10296.1, 0.00302759/step Wall: 10296.1, 0.00302759/step, 1.32861 hours remaining, 210.242188 MB of memory in use. ENERGY: 3420200 747.8461 2161.8061 1948.7878 102.9179 -206126.6441 18044.7396 0.0000 0.0000 34150.9315 -148969.6150 298.2486 -183120.5465 -148870.5621 300.6674 23.1315 53.7595 558844.9860 14.7784 14.9093 LDB: ============= START OF LOAD BALANCING ============== 10299.6 LDB: ============== END OF LOAD BALANCING =============== 10299.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10299.6 LDB: ============= START OF LOAD BALANCING ============== 10299.9 LDB: Largest compute 4802 load 0.028750 is 24.3% of average load 0.118171 LDB: Average compute 0.001727 is 1.5% of average load 0.118171 LDB: TIME 10299.9 LOAD: AVG 0.118171 MAX 0.208131 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.945 MB LDB: TIME 10299.9 LOAD: AVG 0.118171 MAX 0.208131 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.945 MB LDB: TIME 10299.9 LOAD: AVG 0.118171 MAX 0.208131 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.945 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10299.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10299.9 PRESSURE: 3420400 6.15745 -10.8563 40.5512 -10.8579 10.049 79.2018 40.5503 79.2025 14.2447 GPRESSURE: 3420400 -5.48831 -29.3703 59.97 0.0924829 46.5831 37.7542 -2.67602 26.0558 62.306 PRESSAVG: 3420400 -24.2753 63.5097 21.2445 63.5097 17.7277 -32.371 21.2445 -32.3709 20.4467 GPRESSAVG: 3420400 -23.5404 64.7288 19.6944 64.0375 15.936 -34.658 23.5358 -34.3881 20.9102 TIMING: 3420400 CPU: 10296.7, 0.00311916/step Wall: 10296.7, 0.00311916/step, 1.36862 hours remaining, 209.710938 MB of memory in use. ENERGY: 3420400 736.9881 2134.7539 1926.7309 107.2130 -206095.6321 17853.9424 0.0000 0.0000 34354.5880 -148981.4159 300.0272 -183336.0039 -148887.2753 299.2390 10.1504 34.4669 558922.7820 4.6330 4.4353 PRESSURE: 3420600 -20.4573 -47.768 87.0987 -47.7684 -13.2083 -88.3062 87.0982 -88.3069 99.1065 GPRESSURE: 3420600 15.9881 -183.129 79.1904 60.7954 -15.2206 -101.629 40.317 -106.713 174.277 PRESSAVG: 3420600 -5.45412 26.9658 19.5972 26.9657 -13.8341 -48.7757 19.5973 -48.7758 42.5038 GPRESSAVG: 3420600 -5.99889 27.5486 21.1021 24.7296 -13.0893 -49.3165 18.589 -46.5857 42.0423 TIMING: 3420600 CPU: 10297.3, 0.0030307/step Wall: 10297.3, 0.0030307/step, 1.32963 hours remaining, 209.914062 MB of memory in use. ENERGY: 3420600 746.7879 2132.0645 1935.8104 106.2359 -206282.0711 17964.9958 0.0000 0.0000 34369.7996 -149026.3770 300.1600 -183396.1765 -148924.3419 299.9915 21.8136 58.3482 558621.4409 7.7385 7.6514 PRESSURE: 3420800 -284.425 25.126 79.7403 25.125 -287.054 88.0543 79.7409 88.0541 -181.291 GPRESSURE: 3420800 -191.294 -9.63934 85.8597 -19.1135 -265.119 80.6675 92.0253 81.3734 -197.531 PRESSAVG: 3420800 2.64621 45.969 2.36802 45.969 -8.45453 -6.1056 2.36796 -6.10557 6.82548 GPRESSAVG: 3420800 1.63586 44.0423 1.81172 48.8151 -7.93739 -4.90225 2.59208 -6.91541 7.78026 TIMING: 3420800 CPU: 10297.9, 0.00302273/step Wall: 10297.9, 0.00302273/step, 1.32597 hours remaining, 209.914062 MB of memory in use. ENERGY: 3420800 730.5246 2126.7802 1932.4397 121.3357 -205757.9563 17425.2926 0.0000 0.0000 34436.5181 -148985.0653 300.7427 -183421.5834 -148880.8183 299.5123 -250.9236 -217.9813 559664.7414 0.3391 0.4929 PRESSURE: 3421000 -27.3131 -55.8268 -71.4845 -55.827 -194.514 143.383 -71.4838 143.382 184.771 GPRESSURE: 3421000 26.7742 -60.3909 -60.1776 -57.3532 -139.329 103.994 -31.8931 206.046 167.991 PRESSAVG: 3421000 -67.2643 -21.5339 22.0865 -21.5338 -49.3224 -1.97572 22.0866 -1.9757 83.0101 GPRESSAVG: 3421000 -66.0765 -21.394 24.5963 -23.0297 -49.8599 -2.11277 21.505 -1.04945 81.9675 TIMING: 3421000 CPU: 10298.5, 0.00304273/step Wall: 10298.5, 0.00304273/step, 1.33458 hours remaining, 209.914062 MB of memory in use. ENERGY: 3421000 779.5359 2109.7313 1928.1953 124.8124 -205987.7581 17816.9856 0.0000 0.0000 34122.8995 -149105.5981 298.0038 -183228.4976 -149008.9912 299.8346 -12.3522 18.4789 558489.4131 -11.1922 -11.3230 PRESSURE: 3421200 275.411 -139.611 -41.7327 -139.612 34.8061 -120.822 -41.7331 -120.823 188.353 GPRESSURE: 3421200 306.653 -162.911 -12.4429 -122.215 68.3757 -178.111 -36.7792 -24.8906 223.766 PRESSAVG: 3421200 -11.1099 87.411 4.55356 87.4111 -46.6816 15.5843 4.55351 15.5843 -5.83694 GPRESSAVG: 3421200 -11.7228 86.2987 4.67453 89.8128 -45.8131 15.707 3.61101 14.2207 -5.72556 TIMING: 3421200 CPU: 10299.1, 0.00298871/step Wall: 10299.1, 0.00298871/step, 1.31071 hours remaining, 209.914062 MB of memory in use. ENERGY: 3421200 705.5029 2135.2206 1929.4765 118.4358 -205985.2286 17885.7928 0.0000 0.0000 34288.3059 -148922.4940 299.4483 -183210.8000 -148824.4447 299.0032 166.1899 199.5982 556756.2878 -21.2095 -21.0871 PRESSURE: 3421400 40.429 -136.056 -279.385 -136.055 -196.058 108.744 -279.386 108.742 -270.043 GPRESSURE: 3421400 13.9889 -219.656 -269.968 -195.635 -63.039 137.251 -276.899 136.436 -272.377 PRESSAVG: 3421400 -10.1127 6.46133 -9.83292 6.46141 42.4229 17.4063 -9.833 17.4063 33.9879 GPRESSAVG: 3421400 -9.24051 8.6295 -12.6769 3.86451 41.7465 16.4987 -9.50429 16.4942 33.9964 TIMING: 3421400 CPU: 10299.7, 0.00297651/step Wall: 10299.7, 0.00297651/step, 1.3052 hours remaining, 209.914062 MB of memory in use. ENERGY: 3421400 774.0503 2091.9941 1934.3194 110.5953 -205774.4404 17568.2791 0.0000 0.0000 34483.5873 -148811.6148 301.1537 -183295.2021 -148714.1029 300.5434 -141.8903 -107.1422 559317.3832 22.0994 22.1675 PRESSURE: 3421600 -161.724 69.0341 148.401 69.0354 -107.224 -44.9518 148.401 -44.9497 -82.2781 GPRESSURE: 3421600 -70.5925 145.202 214.031 -107.438 -103.67 25.2277 121.464 -103.419 -74.8553 PRESSAVG: 3421600 35.9966 -26.2855 4.78844 -26.2855 -26.8546 -0.0845667 4.78845 -0.0845464 -51.3878 GPRESSAVG: 3421600 35.226 -25.121 4.94548 -26.1535 -25.888 -1.0154 4.44085 0.169005 -51.5604 TIMING: 3421600 CPU: 10300.3, 0.00296812/step Wall: 10300.3, 0.00296812/step, 1.30136 hours remaining, 209.914062 MB of memory in use. ENERGY: 3421600 744.7130 2071.0267 1946.9690 117.5819 -205417.4402 17394.8703 0.0000 0.0000 34229.7339 -148912.5455 298.9368 -183142.2794 -148808.5841 300.4122 -117.0754 -83.0394 558430.5122 -14.0819 -14.0742 PRESSURE: 3421800 -3.43623 -60.3052 30.3942 -60.3044 -189.7 -55.7369 30.394 -55.7364 -37.7307 GPRESSURE: 3421800 19.7762 -83.5574 -68.3258 -91.8144 -150.863 -59.133 -4.70174 -1.56401 -14.2384 PRESSAVG: 3421800 23.7102 -23.3212 1.58917 -23.3212 -35.835 -74.8907 1.5892 -74.8907 28.5452 GPRESSAVG: 3421800 25.1473 -25.9699 1.77497 -23.2431 -37.0531 -74.4924 2.72813 -73.8948 28.2807 TIMING: 3421800 CPU: 10300.9, 0.00297054/step Wall: 10300.9, 0.00297054/step, 1.30225 hours remaining, 209.914062 MB of memory in use. ENERGY: 3421800 766.8423 2050.8305 1944.1663 126.4154 -206142.6628 17809.9062 0.0000 0.0000 34426.5364 -149017.9658 300.6555 -183444.5022 -148924.6649 300.1664 -76.9556 -48.4417 557356.7401 5.4735 5.4583 PRESSURE: 3422000 113.321 -35.3238 152.228 -35.3251 98.2997 -111.394 152.227 -111.394 6.17929 GPRESSURE: 3422000 100.512 -49.7649 109.224 28.9929 219.873 -120.759 248.214 -113.429 -2.43438 PRESSAVG: 3422000 -17.0201 -48.8833 42.0471 -48.8833 64.3388 19.5319 42.0471 19.5318 -40.0309 GPRESSAVG: 3422000 -17.4022 -48.8834 41.0709 -46.0454 64.8826 19.7142 41.51 19.5701 -40.061 TIMING: 3422000 CPU: 10301.5, 0.00299719/step Wall: 10301.5, 0.00299719/step, 1.31377 hours remaining, 209.914062 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: 3422000 784.1801 2085.8061 1950.8511 109.9867 -206612.3924 18082.1177 0.0000 0.0000 34235.9440 -149363.5066 298.9910 -183599.4506 -149269.6931 299.3984 72.5999 105.9836 557675.8968 2.4293 2.4731 PRESSURE: 3422200 -159.439 75.8442 -31.77 75.8444 84.0084 50.7863 -31.7711 50.7848 179.651 GPRESSURE: 3422200 -108.533 114.327 18.8508 -15.0389 103.845 -7.94622 -135.978 -1.68779 189.416 PRESSAVG: 3422200 -38.8312 0.713019 33.8119 0.713055 88.8348 -8.50119 33.812 -8.50108 -5.83627 GPRESSAVG: 3422200 -38.5191 0.802755 36.3086 -1.2474 89.0301 -7.1191 32.6849 -8.50588 -5.8762 TIMING: 3422200 CPU: 10302.1, 0.00297972/step Wall: 10302.1, 0.00297972/step, 1.30595 hours remaining, 209.914062 MB of memory in use. ENERGY: 3422200 809.5213 2077.1470 1942.8028 120.0460 -206232.9342 17743.0564 0.0000 0.0000 34047.5241 -149492.8365 297.3455 -183540.3606 -149396.7743 299.0979 34.7402 61.5760 557264.8627 14.7224 14.8783 PRESSURE: 3422400 7.4796 -179.408 -26.431 -179.408 20.7279 -119.68 -26.4318 -119.68 86.4387 GPRESSURE: 3422400 26.0704 -171.631 -21.2526 -77.7032 46.373 -157.259 67.6001 -109.73 137.152 PRESSAVG: 3422400 -13.0051 -30.9557 -1.90534 -30.9558 -3.19181 -22.7826 -1.90528 -22.7827 27.0968 GPRESSAVG: 3422400 -13.3062 -28.4137 -3.6399 -30.8444 -1.5171 -21.4404 -1.46884 -23.9575 25.8139 TIMING: 3422400 CPU: 10302.7, 0.00298461/step Wall: 10302.7, 0.00298461/step, 1.30792 hours remaining, 209.914062 MB of memory in use. ENERGY: 3422400 741.7653 2087.0199 1916.9444 101.8038 -206450.2972 17887.8951 0.0000 0.0000 34222.6892 -149492.1795 298.8753 -183714.8687 -149403.0313 298.1892 38.2154 69.8651 556279.9760 3.6333 3.6635 PRESSURE: 3422600 -177.019 25.2648 -84.8269 25.265 -185.759 146.899 -84.8281 146.9 -467.706 GPRESSURE: 3422600 -190.909 72.6978 -18.0031 98.11 -134.897 140.642 -99.8031 56.5578 -402.85 PRESSAVG: 3422600 93.5761 13.9357 3.88298 13.9357 -60.3585 22.3259 3.88285 22.3259 -44.3954 GPRESSAVG: 3422600 93.0149 14.7778 7.23082 13.5801 -61.3016 21.037 2.03076 22.6408 -42.8105 TIMING: 3422600 CPU: 10303.3, 0.00297753/step Wall: 10303.3, 0.00297753/step, 1.30465 hours remaining, 209.914062 MB of memory in use. ENERGY: 3422600 778.3338 2089.4737 1933.5303 111.2499 -206183.5362 17496.4381 0.0000 0.0000 34255.7972 -149518.7134 299.1644 -183774.5105 -149423.1074 299.0831 -276.8281 -242.8853 557282.0544 -3.7259 -3.6991 PRESSURE: 3422800 5.05312 103.13 200.475 103.129 -264.915 -65.9402 200.475 -65.9402 -66.2985 GPRESSURE: 3422800 51.0012 117.701 152.772 26.0609 -214.414 -126.755 162.71 -84.6334 -63.9652 PRESSAVG: 3422800 7.75202 41.2796 -7.17454 41.2796 -1.52953 -0.264301 -7.17461 -0.264227 -18.7186 GPRESSAVG: 3422800 8.15832 38.9012 -8.93823 42.0073 -2.73412 -1.85277 -5.11101 -0.520411 -18.3193 TIMING: 3422800 CPU: 10303.9, 0.00296205/step Wall: 10303.9, 0.00296205/step, 1.29771 hours remaining, 209.914062 MB of memory in use. ENERGY: 3422800 740.8832 2068.7293 1947.1753 112.0696 -206424.0232 17774.4018 0.0000 0.0000 34321.6363 -149459.1276 299.7394 -183780.7640 -149361.1238 299.3158 -108.7200 -75.7926 556279.2134 -4.1654 -4.2984 PRESSURE: 3423000 -164.39 57.7897 90.9885 57.7889 -392.341 -74.0619 90.9884 -74.063 -404.392 GPRESSURE: 3423000 -103.108 65.51 56.313 73.8416 -370.363 -59.5023 103.739 -91.7833 -382.392 PRESSAVG: 3423000 37.7113 -6.0275 -18.3446 -6.02757 1.697 31.6796 -18.3445 31.6796 0.987431 GPRESSAVG: 3423000 38.4882 -5.60002 -19.8573 -7.75977 1.46167 34.6306 -20.371 29.2794 0.977729 TIMING: 3423000 CPU: 10304.5, 0.00297075/step Wall: 10304.5, 0.00297075/step, 1.30135 hours remaining, 209.914062 MB of memory in use. ENERGY: 3423000 746.1987 2038.1572 1939.5457 112.4909 -205996.6419 17545.6483 0.0000 0.0000 34135.6858 -149478.9154 298.1154 -183614.6011 -149391.8146 298.2415 -320.3743 -285.2876 560217.4284 13.4653 13.6425 PRESSURE: 3423200 -132.501 -67.9312 15.1196 -67.9322 -204.115 -2.64088 15.1206 -2.63912 -134.066 GPRESSURE: 3423200 -77.6012 -99.7687 -93.2393 -86.5664 -205.997 75.7327 -27.2951 -78.4492 -91.4538 PRESSAVG: 3423200 17.0576 -48.4663 -11.2075 -48.4663 -35.9551 25.2083 -11.2075 25.2085 43.438 GPRESSAVG: 3423200 15.795 -48.7822 -10.7934 -48.2274 -34.5578 22.9468 -10.7114 27.7719 42.9718 TIMING: 3423200 CPU: 10305.1, 0.00298844/step Wall: 10305.1, 0.00298844/step, 1.30894 hours remaining, 209.914062 MB of memory in use. ENERGY: 3423200 794.5963 2089.8333 1934.8511 120.5329 -206357.8312 17786.1050 0.0000 0.0000 34301.6759 -149330.2367 299.5651 -183631.9126 -149229.3101 298.8243 -156.8940 -125.0173 559355.9345 8.1802 8.0697 PRESSURE: 3423400 -44.854 149.332 -74.1561 149.333 12.4355 -190.658 -74.1553 -190.66 21.724 GPRESSURE: 3423400 41.6398 178.493 -180.717 91.392 55.4819 -202.47 3.4705 -181.831 -15.9811 PRESSAVG: 3423400 78.1781 18.494 -99.7444 18.4939 -78.5451 -14.0892 -99.7445 -14.0892 -47.0948 GPRESSAVG: 3423400 78.0175 18.2218 -97.9282 18.7548 -78.8206 -12.4778 -99.348 -15.5272 -46.549 TIMING: 3423400 CPU: 10305.7, 0.0029943/step Wall: 10305.7, 0.0029943/step, 1.31134 hours remaining, 209.914062 MB of memory in use. ENERGY: 3423400 699.8001 2077.2472 1914.0137 106.4424 -206634.5626 18018.5753 0.0000 0.0000 34328.4101 -149490.0738 299.7985 -183818.4839 -149402.2004 298.7093 -3.5648 27.0469 558248.8220 -15.8206 -15.7840 PRESSURE: 3423600 -213.59 118.283 71.4075 118.283 -3.88415 187.255 71.4076 187.254 -126.547 GPRESSURE: 3423600 -219.447 182.663 83.6185 23.845 42.6803 251.854 57.6839 149.878 -65.2405 PRESSAVG: 3423600 24.5108 -36.2001 -73.5093 -36.2 4.66871 39.7466 -73.5094 39.7466 -0.103565 GPRESSAVG: 3423600 24.8685 -34.8281 -74.8911 -35.9648 5.23932 36.4339 -73.3984 41.9514 -0.805827 TIMING: 3423600 CPU: 10306.3, 0.00298954/step Wall: 10306.3, 0.00298954/step, 1.30909 hours remaining, 209.914062 MB of memory in use. ENERGY: 3423600 764.8498 2010.7969 1953.5346 109.2512 -206214.1369 17663.8652 0.0000 0.0000 34215.2764 -149496.5630 298.8105 -183711.8393 -149399.4823 298.4706 -114.6740 -80.6689 557168.7962 9.6920 9.7673 PRESSURE: 3423800 -27.4851 -35.159 -87.9734 -35.1591 187.392 -170.431 -87.9741 -170.43 -132.631 GPRESSURE: 3423800 19.4269 -22.3547 -85.9717 -36.1373 151.132 -181.431 -78.8919 -174.187 -43.8879 PRESSAVG: 3423800 31.4895 -38.417 -5.54431 -38.417 -38.5895 -28.5022 -5.54424 -28.5021 9.46056 GPRESSAVG: 3423800 32.1358 -38.4213 -5.61139 -38.1362 -38.671 -26.5019 -6.18018 -28.5851 9.10541 TIMING: 3423800 CPU: 10306.9, 0.00297458/step Wall: 10306.9, 0.00297458/step, 1.30237 hours remaining, 209.914062 MB of memory in use. ENERGY: 3423800 757.7696 2054.4518 1931.3173 120.1534 -206387.1623 17836.2912 0.0000 0.0000 34269.3996 -149417.7793 299.2832 -183687.1789 -149323.2574 298.7152 9.0921 42.2237 557577.0340 0.7868 0.8567 PRESSURE: 3424000 -87.2007 16.2989 -107.807 16.2986 -16.9489 95.5547 -107.807 95.5552 4.90342 GPRESSURE: 3424000 -83.9811 51.7379 -72.9541 46.6479 69.6329 135.614 -134.042 90.9148 27.924 PRESSAVG: 3424000 17.4982 -28.198 -15.9801 -28.198 13.2682 -1.04677 -15.9801 -1.04688 4.07974 GPRESSAVG: 3424000 17.1556 -28.8869 -15.5945 -29.6128 12.5652 -0.665255 -14.5387 -2.30754 5.1252 TIMING: 3424000 CPU: 10307.5, 0.002982/step Wall: 10307.5, 0.002982/step, 1.30545 hours remaining, 209.914062 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: 3424000 759.2906 2083.4229 1928.7834 99.4519 -206677.4227 18007.9765 0.0000 0.0000 34188.6075 -149609.8899 298.5776 -183798.4975 -149509.8058 298.2523 -33.0820 4.5252 557732.2341 11.6154 11.6153 PRESSURE: 3424200 252.069 158.873 -20.9646 158.873 243.234 45.6248 -20.9647 45.6249 80.1436 GPRESSURE: 3424200 269.836 151.369 -11.1166 140.087 279.683 26.826 -111.897 7.8072 112.116 PRESSAVG: 3424200 -42.4452 -0.621465 1.66278 -0.621652 66.9707 16.4871 1.66281 16.487 -13.605 GPRESSAVG: 3424200 -42.7585 -0.321754 0.159933 1.47157 67.2436 15.7685 -0.27937 18.9497 -13.0935 TIMING: 3424200 CPU: 10308.1, 0.00297894/step Wall: 10308.1, 0.00297894/step, 1.30395 hours remaining, 209.914062 MB of memory in use. ENERGY: 3424200 727.7481 2094.8532 1952.7601 117.2049 -206421.7001 18159.2559 0.0000 0.0000 34102.1378 -149267.7400 297.8225 -183369.8778 -149172.6710 298.5970 191.8155 220.5451 558702.0250 3.6402 3.7972 LDB: ============= START OF LOAD BALANCING ============== 10311.6 LDB: ============== END OF LOAD BALANCING =============== 10311.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10311.6 LDB: ============= START OF LOAD BALANCING ============== 10311.9 LDB: Largest compute 4802 load 0.028111 is 23.8% of average load 0.118148 LDB: Average compute 0.001720 is 1.5% of average load 0.118148 LDB: TIME 10311.9 LOAD: AVG 0.118148 MAX 0.206487 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.254 MB LDB: TIME 10311.9 LOAD: AVG 0.118148 MAX 0.206487 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.324 MB LDB: TIME 10311.9 LOAD: AVG 0.118148 MAX 0.206487 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.324 MB LDB: ============== END OF LOAD BALANCING =============== 10311.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10311.9 PRESSURE: 3424400 -189.597 -38.912 117.565 -38.9101 -122.208 100.314 117.565 100.316 -28.926 GPRESSURE: 3424400 -187.591 -23.8145 153.412 -143.262 -55.2528 102.069 124.067 102.798 -2.95644 PRESSAVG: 3424400 -12.8577 25.0431 15.5749 25.0432 5.24043 -7.19709 15.575 -7.19704 31.0966 GPRESSAVG: 3424400 -11.9716 23.9861 18.1337 23.1731 5.16136 -6.95082 16.0316 -9.51487 30.749 TIMING: 3424400 CPU: 10308.7, 0.00303664/step Wall: 10308.7, 0.00303664/step, 1.32904 hours remaining, 211.570312 MB of memory in use. ENERGY: 3424400 730.8552 2093.7697 1958.9450 122.1263 -205630.3456 17500.6644 0.0000 0.0000 33949.3388 -149274.6461 296.4880 -183223.9849 -149182.2542 298.8556 -113.5771 -81.9334 557967.2351 7.8264 7.9796 PRESSURE: 3424600 -98.9868 -177.801 -92.1021 -177.801 -49.952 -21.9838 -92.1011 -21.9831 -125.309 GPRESSURE: 3424600 -19.2719 -210.719 -66.6268 -145.003 -52.3538 -119.087 -133.163 60.5148 -109.732 PRESSAVG: 3424600 -16.1853 -52.2029 -35.0108 -52.2028 39.1858 36.899 -35.0108 36.899 4.66486 GPRESSAVG: 3424600 -15.9141 -51.6313 -37.1136 -51.9137 39.3167 36.0709 -34.0544 38.3138 3.79711 TIMING: 3424600 CPU: 10309.3, 0.00300199/step Wall: 10309.3, 0.00300199/step, 1.3137 hours remaining, 211.773438 MB of memory in use. ENERGY: 3424600 734.5724 2062.5745 1969.2335 108.5384 -206440.3408 17865.5174 0.0000 0.0000 34313.0100 -149386.8945 299.6641 -183699.9045 -149289.6943 299.0368 -91.4158 -60.4526 558757.9064 9.2218 9.0666 PRESSURE: 3424800 -85.6995 -71.4053 34.1326 -71.4062 174.1 36.1436 34.1315 36.144 38.2729 GPRESSURE: 3424800 -24.8671 -37.0516 -22.4685 -46.3127 160.475 -3.53496 -21.4888 70.8531 92.8679 PRESSAVG: 3424800 6.79133 7.94482 17.5589 7.94484 -43.6447 -54.0032 17.559 -54.0033 27.3916 GPRESSAVG: 3424800 6.679 8.77117 18.722 9.55488 -43.9418 -51.5448 17.6365 -54.4995 28.5514 TIMING: 3424800 CPU: 10309.9, 0.00298028/step Wall: 10309.9, 0.00298028/step, 1.30404 hours remaining, 211.773438 MB of memory in use. ENERGY: 3424800 766.7588 2115.3214 1920.9503 108.9418 -206695.2355 18291.1519 0.0000 0.0000 34215.6373 -149276.4741 298.8137 -183492.1114 -149178.1383 299.0567 42.2245 76.1584 558594.5436 -3.1539 -2.9038 PRESSURE: 3425000 -112.618 -135.766 4.82501 -135.766 46.8064 33.3737 4.82337 33.3725 61.1386 GPRESSURE: 3425000 -49.0332 -167.845 52.4677 -136.664 46.4017 -4.6879 47.4211 60.6182 104.434 PRESSAVG: 3425000 -31.6434 -12.1419 28.4137 -12.1419 -51.7594 28.6788 28.4136 28.6788 49.1283 GPRESSAVG: 3425000 -31.192 -13.4129 29.225 -13.8199 -51.2271 26.9935 27.4851 29.0571 48.2002 TIMING: 3425000 CPU: 10310.5, 0.00297343/step Wall: 10310.5, 0.00297343/step, 1.30088 hours remaining, 211.773438 MB of memory in use. ENERGY: 3425000 722.8112 2137.7809 1933.4550 110.6961 -206319.2302 17879.6857 0.0000 0.0000 34156.1026 -149378.6987 298.2937 -183534.8013 -149280.4337 299.2973 -1.5578 33.9340 559871.8717 -11.4248 -11.4063 PRESSURE: 3425200 -84.6951 -79.6087 -48.7776 -79.6077 -49.5265 -105.891 -48.7789 -105.89 6.48624 GPRESSURE: 3425200 -123.337 -77.6517 -25.4258 -60.8941 67.5553 -157.502 -71.2947 -85.3219 32.6362 PRESSAVG: 3425200 59.7103 -33.7976 70.923 -33.7977 2.24856 -15.9657 70.9229 -15.9657 -23.7541 GPRESSAVG: 3425200 59.1766 -34.7442 70.0382 -32.6024 3.22308 -15.7534 70.6402 -17.6945 -23.7172 TIMING: 3425200 CPU: 10311.1, 0.0029948/step Wall: 10311.1, 0.0029948/step, 1.31006 hours remaining, 211.773438 MB of memory in use. ENERGY: 3425200 713.5355 2050.6429 1943.8658 124.4677 -205823.4483 17510.9475 0.0000 0.0000 34214.0241 -149265.9647 298.7996 -183479.9888 -149173.7010 299.2768 -42.5785 -7.7151 558557.7112 12.7349 12.8942 PRESSURE: 3425400 57.4974 -153.833 48.0523 -153.832 68.7787 25.4415 48.0519 25.4421 -209.053 GPRESSURE: 3425400 86.7098 -146.761 176.383 -127.657 80.1884 46.0086 26.1746 22.6066 -153.827 PRESSAVG: 3425400 -1.87954 33.333 -23.7572 33.333 29.9536 -45.6973 -23.7573 -45.6973 16.8709 GPRESSAVG: 3425400 -1.92146 35.4152 -22.6919 33.0331 29.6526 -44.5819 -23.9578 -44.1159 17.036 TIMING: 3425400 CPU: 10311.6, 0.00296954/step Wall: 10311.6, 0.00296954/step, 1.29884 hours remaining, 211.773438 MB of memory in use. ENERGY: 3425400 742.0359 2031.4369 1921.0576 122.0768 -206320.7098 17817.8162 0.0000 0.0000 34410.5713 -149275.7152 300.5161 -183686.2865 -149170.4451 299.2590 -27.5923 4.3572 557432.8607 14.9817 14.9224 PRESSURE: 3425600 -128.622 -73.4499 113.869 -73.4491 -99.1538 183.885 113.869 183.885 -107.472 GPRESSURE: 3425600 -124.781 52.0553 126.978 -22.5595 -79.5491 186.495 120.421 206.64 -21.1524 PRESSAVG: 3425600 4.21947 -32.5901 39.7949 -32.5901 -16.6415 -16.3543 39.7949 -16.3543 42.196 GPRESSAVG: 3425600 4.47343 -35.5177 38.6386 -29.4509 -16.9466 -17.4534 40.9423 -16.7715 42.0092 TIMING: 3425600 CPU: 10312.2, 0.00296878/step Wall: 10312.2, 0.00296878/step, 1.29835 hours remaining, 211.773438 MB of memory in use. ENERGY: 3425600 731.6193 2091.2304 1942.3140 111.2619 -206207.4367 17731.1666 0.0000 0.0000 34173.6093 -149426.2351 298.4466 -183599.8444 -149329.8837 299.3488 -111.7494 -75.1607 558540.8324 9.9246 9.8453 PRESSURE: 3425800 -4.51068 -34.252 -24.6837 -34.2532 -182.219 70.5554 -24.684 70.5557 -51.6228 GPRESSURE: 3425800 36.1794 -45.7712 -24.2563 33.2941 -169.271 7.66813 7.37158 103.888 -1.58971 PRESSAVG: 3425800 37.6072 -4.53216 -42.4278 -4.53217 -95.4442 14.4499 -42.4278 14.45 3.71112 GPRESSAVG: 3425800 36.8853 -2.24394 -42.9348 -7.54421 -94.7489 14.986 -42.2907 14.724 3.84202 TIMING: 3425800 CPU: 10312.8, 0.00297903/step Wall: 10312.8, 0.00297903/step, 1.30266 hours remaining, 211.773438 MB of memory in use. ENERGY: 3425800 738.1524 2079.7087 1928.2045 98.0325 -206133.5732 17638.6438 0.0000 0.0000 34120.6825 -149530.1489 297.9844 -183650.8314 -149437.5302 298.5442 -79.4507 -44.8939 555906.6257 -18.0420 -18.0072 PRESSURE: 3426000 -99.0677 -72.1282 -126.777 -72.1278 -195.393 -65.152 -126.777 -65.1517 -96.6173 GPRESSURE: 3426000 -64.1022 -107.655 -86.1875 -102.819 -174.523 -28.1871 -167.865 -95.0424 -64.5653 PRESSAVG: 3426000 15.9901 -21.1151 11.2204 -21.1152 -17.0084 22.673 11.2204 22.673 5.55693 GPRESSAVG: 3426000 16.16 -21.6343 12.0298 -21.4303 -17.2873 23.1723 9.32286 21.4598 5.8274 TIMING: 3426000 CPU: 10313.4, 0.0029895/step Wall: 10313.4, 0.0029895/step, 1.30707 hours remaining, 211.773438 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: 3426000 760.8313 2051.2401 1945.5078 101.3400 -206316.1398 17607.5899 0.0000 0.0000 34052.9640 -149796.6666 297.3930 -183849.6306 -149706.1094 297.9723 -130.3594 -101.0634 556482.3849 1.5129 1.5667 PRESSURE: 3426200 240.853 -77.6292 97.161 -77.6284 97.8095 -43.0099 97.1607 -43.0085 -4.01499 GPRESSURE: 3426200 240.983 -119.714 41.4737 -6.80969 69.12 -13.3549 130.684 -3.3828 120.348 PRESSAVG: 3426200 25.3911 3.03303 97.4286 3.03301 48.8224 -26.0906 97.4285 -26.0907 -87.2658 GPRESSAVG: 3426200 24.0537 3.8241 98.2744 2.66628 49.6087 -25.8512 97.2409 -26.1748 -86.5724 TIMING: 3426200 CPU: 10314, 0.00297987/step Wall: 10314, 0.00297987/step, 1.3027 hours remaining, 211.773438 MB of memory in use. ENERGY: 3426200 724.0814 2052.8409 1950.3802 109.7165 -206459.4810 17912.1096 0.0000 0.0000 33766.8372 -149943.5152 294.8942 -183710.3524 -149843.7625 296.7613 111.5492 143.4836 555535.7667 -4.3508 -4.3033 PRESSURE: 3426400 -10.1776 -11.7824 -54.4663 -11.7822 20.152 31.1875 -54.4655 31.1864 134.738 GPRESSURE: 3426400 -17.928 -26.8967 -8.06006 8.17885 68.6478 79.4052 -108.444 -27.8202 187.53 PRESSAVG: 3426400 -34.2182 13.1402 85.3326 13.1402 48.0731 10.6963 85.3326 10.6963 -28.3316 GPRESSAVG: 3426400 -32.3315 11.8829 85.4228 15.4043 47.629 10.7209 85.5099 9.87316 -29.3717 TIMING: 3426400 CPU: 10314.6, 0.00298767/step Wall: 10314.6, 0.00298767/step, 1.30594 hours remaining, 211.773438 MB of memory in use. ENERGY: 3426400 740.4950 2069.4708 1945.2161 110.0776 -206782.2330 18133.5355 0.0000 0.0000 33985.8438 -149797.5942 296.8068 -183783.4380 -149702.9057 297.7608 48.2376 79.4165 557116.0792 -4.8255 -4.6914 PRESSURE: 3426600 -295.62 -154.369 159.693 -154.368 -169.493 149.139 159.693 149.14 2.77924 GPRESSURE: 3426600 -253.482 -187.129 201.606 -145.894 -121.796 77.2176 121.795 190.244 7.082 PRESSAVG: 3426600 -18.0064 15.5447 5.53154 15.5446 -79.9877 -17.3803 5.53153 -17.3803 51.7776 GPRESSAVG: 3426600 -19.2703 14.4966 4.47103 14.9967 -80.0185 -19.7386 3.91583 -16.2286 52.6528 TIMING: 3426600 CPU: 10315.2, 0.00296645/step Wall: 10315.2, 0.00296645/step, 1.2965 hours remaining, 211.773438 MB of memory in use. ENERGY: 3426600 712.3119 2064.6672 1943.3483 108.7293 -206090.8592 17617.4322 0.0000 0.0000 33857.4407 -149786.9295 295.6855 -183644.3702 -149697.9493 297.2989 -154.1113 -122.7322 555245.3531 -15.4055 -15.5453 PRESSURE: 3426800 -367.962 -97.1628 75.5285 -97.1627 -32.8426 -341.2 75.5267 -341.199 -235.548 GPRESSURE: 3426800 -325.886 -117.104 -8.19521 -70.7163 19.1753 -349.915 57.491 -382.718 -239.036 PRESSAVG: 3426800 -27.6641 -89.77 -62.5439 -89.77 20.7525 24.0876 -62.5438 24.0876 -14.315 GPRESSAVG: 3426800 -28.7678 -86.6004 -62.8023 -92.3483 21.3729 23.198 -59.3012 24.4035 -13.9119 TIMING: 3426800 CPU: 10315.8, 0.00296049/step Wall: 10315.8, 0.00296049/step, 1.29373 hours remaining, 211.773438 MB of memory in use. ENERGY: 3426800 729.3369 2065.0721 1909.1498 99.7893 -206391.7078 17697.0027 0.0000 0.0000 33993.3514 -149898.0056 296.8724 -183891.3570 -149806.4118 297.8997 -212.1176 -181.9155 556261.4636 -7.0755 -7.1023 PRESSURE: 3427000 -280.716 -60.0912 102.433 -60.0903 -113.414 -62.4767 102.433 -62.4766 -162.821 GPRESSURE: 3427000 -240.334 -60.612 124.794 -56.9752 -71.7361 -41.4504 106.922 -84.9479 -145.362 PRESSAVG: 3427000 -68.3737 -55.4622 17.1754 -55.4621 7.55067 -20.882 17.1754 -20.882 20.6186 GPRESSAVG: 3427000 -67.7501 -56.3184 17.0269 -55.695 6.0494 -20.5009 17.8162 -21.5871 20.8488 TIMING: 3427000 CPU: 10316.4, 0.00295438/step Wall: 10316.4, 0.00295438/step, 1.2909 hours remaining, 211.773438 MB of memory in use. ENERGY: 3427000 755.5774 2055.6024 1929.4573 117.7012 -206228.2658 17472.9589 0.0000 0.0000 34016.2396 -149880.7290 297.0723 -183896.9686 -149780.3955 297.5751 -185.6504 -152.4773 557147.8260 -13.4015 -13.6173 PRESSURE: 3427200 -347.327 -59.9234 -58.0104 -59.9227 -82.4212 157.458 -58.0103 157.458 -105.194 GPRESSURE: 3427200 -323.728 -103.286 -64.2221 8.7145 -17.2073 131.366 1.49339 142.327 -97.0822 PRESSAVG: 3427200 -43.7842 -24.2359 61.736 -24.236 -3.80426 -26.0163 61.736 -26.0163 64.631 GPRESSAVG: 3427200 -43.6844 -25.3205 61.2087 -22.8138 -3.14452 -24.8683 60.6432 -26.4331 63.4736 TIMING: 3427200 CPU: 10317, 0.00297194/step Wall: 10317, 0.00297194/step, 1.29841 hours remaining, 211.773438 MB of memory in use. ENERGY: 3427200 736.3570 2048.2975 1963.2791 97.0829 -206470.5416 17668.8439 0.0000 0.0000 34018.1021 -149938.5790 297.0885 -183956.6811 -149849.8855 297.8134 -178.3142 -146.0059 557021.6871 5.6808 5.5482 PRESSURE: 3427400 163.494 81.2042 131.587 81.2026 -296.822 -33.3694 131.586 -33.3708 52.4283 GPRESSURE: 3427400 234.436 26.8117 24.2026 31.497 -233.682 -1.66706 132.374 5.67285 21.567 PRESSAVG: 3427400 -15.7907 -22.6113 -51.6104 -22.6112 31.1742 37.8945 -51.6105 37.8944 12.4399 GPRESSAVG: 3427400 -14.7138 -23.9252 -51.5223 -21.7836 30.6483 36.8638 -50.457 39.2618 12.3194 TIMING: 3427400 CPU: 10317.6, 0.00295473/step Wall: 10317.6, 0.00295473/step, 1.29072 hours remaining, 211.773438 MB of memory in use. ENERGY: 3427400 722.6598 2104.5557 1959.3600 115.8456 -206701.4819 17842.5012 0.0000 0.0000 34166.0192 -149790.5403 298.3803 -183956.5595 -149696.8835 298.0471 -26.9666 7.4403 555463.5506 9.2745 9.4180 PRESSURE: 3427600 -109.263 151.36 -6.74572 151.36 137.04 201.643 -6.7465 201.643 90.0615 GPRESSURE: 3427600 -17.1771 117.992 -1.65223 200.213 159.088 213.646 55.5076 151.646 74.7493 PRESSAVG: 3427600 36.776 17.4251 22.5311 17.4252 10.7113 31.1803 22.5311 31.1802 -28.6586 GPRESSAVG: 3427600 36.1881 18.8734 23.3777 18.2029 12.0698 33.5643 22.2221 30.2707 -29.5982 TIMING: 3427600 CPU: 10318.2, 0.00296525/step Wall: 10318.2, 0.00296525/step, 1.29515 hours remaining, 211.773438 MB of memory in use. ENERGY: 3427600 754.8982 2123.9540 1945.8443 108.3736 -207172.4738 18171.5814 0.0000 0.0000 34297.4556 -149770.3668 299.5282 -184067.8224 -149672.0246 298.4640 39.2795 72.2201 556475.2204 6.2762 6.2199 PRESSURE: 3427800 169.964 -0.364973 -308.031 -0.364827 59.8845 37.219 -308.03 37.2185 -331.931 GPRESSURE: 3427800 251.356 14.7375 -338.661 34.0755 41.8515 37.5391 -278.599 85.2074 -301.735 PRESSAVG: 3427800 57.4077 43.8141 -12.5923 43.8141 -1.03446 -3.14561 -12.5923 -3.14557 -50.7793 GPRESSAVG: 3427800 58.1999 43.0996 -12.2468 43.1671 -2.31394 -5.7595 -13.5898 -2.28954 -49.8586 TIMING: 3427800 CPU: 10318.8, 0.00295979/step Wall: 10318.8, 0.00295979/step, 1.29261 hours remaining, 211.773438 MB of memory in use. ENERGY: 3427800 728.0647 2100.8555 1953.1593 111.5251 -206527.4325 17752.2522 0.0000 0.0000 34252.1481 -149629.4277 299.1325 -183881.5757 -149533.4516 297.6554 -34.0275 -2.8425 556452.1284 1.8646 2.0091 PRESSURE: 3428000 30.0904 231.336 -43.3611 231.335 -136.174 18.8886 -43.3612 18.8894 -45.3114 GPRESSURE: 3428000 39.41 140.547 -84.5006 243.165 -114.876 51.5032 -31.8091 -21.4439 35.6302 PRESSAVG: 3428000 66.6857 47.4485 -46.9784 47.4485 -33.3114 10.0656 -46.9784 10.0656 -39.2479 GPRESSAVG: 3428000 65.0826 46.957 -46.5426 48.3917 -32.5832 10.4276 -47.8405 12.0858 -38.5146 TIMING: 3428000 CPU: 10319.4, 0.00296267/step Wall: 10319.4, 0.00296267/step, 1.2937 hours remaining, 211.773438 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: 3428000 730.4197 2044.4122 1939.1463 109.7682 -205943.0488 17603.5064 0.0000 0.0000 34023.4483 -149492.3477 297.1352 -183515.7960 -149387.1113 298.1631 -50.4648 -13.2786 556625.2720 -1.9579 -2.0051 PRESSURE: 3428200 -203.172 257.243 -79.6645 257.244 123.721 -160.981 -79.6645 -160.98 267.093 GPRESSURE: 3428200 -142.141 299.312 -37.0413 210.647 124.866 -192.296 -58.746 -156.737 291.452 PRESSAVG: 3428200 -17.3251 85.2118 -16.2561 85.2118 0.578627 9.36348 -16.2561 9.36347 -24.6993 GPRESSAVG: 3428200 -16.2142 88.0869 -15.2041 81.795 -0.169764 8.98995 -14.8517 8.33313 -25.2279 TIMING: 3428200 CPU: 10320, 0.00297811/step Wall: 10320, 0.00297811/step, 1.30027 hours remaining, 211.773438 MB of memory in use. ENERGY: 3428200 747.7646 2079.7134 1898.5801 102.6419 -206135.1831 17891.0654 0.0000 0.0000 34180.3813 -149235.0363 298.5058 -183415.4177 -149136.3293 298.2045 62.5470 91.3923 557361.4506 -13.8153 -13.8706 LDB: ============= START OF LOAD BALANCING ============== 10323.5 LDB: ============== END OF LOAD BALANCING =============== 10323.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10323.5 LDB: ============= START OF LOAD BALANCING ============== 10323.8 LDB: Largest compute 4802 load 0.028174 is 23.8% of average load 0.118185 LDB: Average compute 0.001728 is 1.5% of average load 0.118185 LDB: TIME 10323.8 LOAD: AVG 0.118185 MAX 0.206167 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.816 MB LDB: TIME 10323.8 LOAD: AVG 0.118185 MAX 0.206167 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.02 MB LDB: TIME 10323.8 LOAD: AVG 0.118185 MAX 0.206167 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.02 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10323.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10323.8 PRESSURE: 3428400 182.253 60.6614 45.6849 60.6619 44.9429 41.8904 45.6864 41.891 -15.1468 GPRESSURE: 3428400 215.854 69.7815 56.58 34.8321 57.0405 28.7056 37.1878 65.0387 32.4277 PRESSAVG: 3428400 -65.1003 53.9153 -28.2291 53.9154 58.5999 21.0136 -28.2292 21.0135 -11.4244 GPRESSAVG: 3428400 -66.3214 54.1346 -31.0233 55.2712 58.8285 20.8225 -27.6014 20.0177 -10.6227 TIMING: 3428400 CPU: 10320.6, 0.00305883/step Wall: 10320.6, 0.00305883/step, 1.33535 hours remaining, 207.917969 MB of memory in use. ENERGY: 3428400 764.2513 2087.6562 1931.8900 121.2678 -206249.0153 17956.4927 0.0000 0.0000 34420.9266 -148966.5307 300.6065 -183387.4573 -148868.4141 299.5001 70.6829 101.7741 556788.8679 -5.9749 -6.0385 PRESSURE: 3428600 265.996 -14.3081 61.7105 -14.308 45.1554 -150.233 61.7112 -150.233 -71.0216 GPRESSURE: 3428600 257.791 -59.3913 50.7422 27.4314 127.403 -26.5988 125.505 -75.4538 -45.7256 PRESSAVG: 3428600 -3.93631 2.89129 -16.7837 2.89123 -12.3774 -22.0878 -16.7836 -22.0879 -4.17953 GPRESSAVG: 3428600 -3.95172 -0.516693 -14.7412 4.73673 -11.6425 -22.449 -17.0138 -20.6711 -4.71371 TIMING: 3428600 CPU: 10321.2, 0.00302068/step Wall: 10321.2, 0.00302068/step, 1.31853 hours remaining, 207.917969 MB of memory in use. ENERGY: 3428600 740.8863 2121.0036 1951.8123 111.5405 -206310.4992 18021.1126 0.0000 0.0000 34381.8708 -148982.2730 300.2654 -183364.1438 -148888.3759 300.8636 80.0434 113.1562 556234.1818 -6.8311 -6.7693 PRESSURE: 3428800 -48.3674 29.4198 15.0851 29.42 81.8965 133.997 15.0846 133.998 -44.3948 GPRESSURE: 3428800 9.24034 -1.9279 -31.8488 68.0969 86.845 97.3725 120.276 137.748 -9.81953 PRESSAVG: 3428800 5.60191 -1.18947 -13.7362 -1.18956 -70.2861 -9.96327 -13.7362 -9.96327 65.0156 GPRESSAVG: 3428800 5.66559 1.6476 -14.4148 -1.13729 -70.1617 -10.0554 -15.7884 -11.5762 65.1664 TIMING: 3428800 CPU: 10321.8, 0.00297826/step Wall: 10321.8, 0.00297826/step, 1.29984 hours remaining, 207.917969 MB of memory in use. ENERGY: 3428800 695.7652 2067.5741 1951.2775 103.7011 -205899.2858 17706.9937 0.0000 0.0000 34132.0355 -149241.9388 298.0836 -183373.9743 -149143.4527 299.4391 -3.6219 28.7553 557551.2045 0.1105 0.2234 PRESSURE: 3429000 142.509 75.7327 10.5635 75.7328 -109.588 -144.409 10.5638 -144.408 70.1075 GPRESSURE: 3429000 218.453 57.3871 46.5448 100.723 -67.5172 -136.46 -2.96761 -182.655 53.9544 PRESSAVG: 3429000 -7.94214 -2.7998 -64.0009 -2.79979 -16.7632 -90.2754 -64.0009 -90.2754 18.1304 GPRESSAVG: 3429000 -8.29701 -5.16221 -64.5764 -3.06862 -16.5127 -90.7667 -63.0946 -89.2314 18.0694 TIMING: 3429000 CPU: 10322.4, 0.00294409/step Wall: 10322.4, 0.00294409/step, 1.28477 hours remaining, 207.917969 MB of memory in use. ENERGY: 3429000 725.3656 2077.5949 1956.9467 110.5401 -206210.0114 17771.8933 0.0000 0.0000 34444.2395 -149123.4313 300.8101 -183567.6708 -149036.2122 299.5897 34.3430 68.2968 558369.8104 -2.1916 -2.2467 PRESSURE: 3429200 -43.8829 -8.19935 61.7219 -8.1995 -77.0878 -63.8218 61.7225 -63.8196 -1.19915 GPRESSURE: 3429200 52.5665 85.6531 33.0659 -88.6427 -141.762 -44.2184 39.0089 -89.4736 60.6377 PRESSAVG: 3429200 34.9007 -21.752 3.45403 -21.7519 -33.2491 21.3792 3.45398 21.3792 -29.8978 GPRESSAVG: 3429200 35.6472 -18.8953 5.17017 -22.0665 -33.732 21.0968 1.991 20.6586 -30.2536 TIMING: 3429200 CPU: 10323, 0.00294194/step Wall: 10323, 0.00294194/step, 1.28367 hours remaining, 207.917969 MB of memory in use. ENERGY: 3429200 735.9325 2124.6290 1950.7085 117.2642 -206003.6446 17651.3381 0.0000 0.0000 34170.1266 -149253.6457 298.4162 -183423.7724 -149157.0874 299.3870 -40.7233 -9.5193 558067.9699 -9.4154 -9.4461 PRESSURE: 3429400 -14.1773 -190.788 -12.466 -190.789 -237.012 148.643 -12.466 148.645 -59.8252 GPRESSURE: 3429400 -91.9907 -188.537 -55.9675 -185.975 -150.292 170.434 7.63631 130.467 33.8944 PRESSAVG: 3429400 30.7301 -28.9084 -73.2045 -28.9085 -42.6695 4.76074 -73.2045 4.76078 30.3334 GPRESSAVG: 3429400 29.6073 -30.4527 -75.1557 -26.7687 -43.0276 6.72148 -71.1092 3.47585 32.0987 TIMING: 3429400 CPU: 10323.5, 0.00294937/step Wall: 10323.5, 0.00294937/step, 1.28674 hours remaining, 207.917969 MB of memory in use. ENERGY: 3429400 708.0480 2106.4843 1951.3976 120.7788 -206010.0473 17672.9422 0.0000 0.0000 34243.8471 -149206.5494 299.0600 -183450.3965 -149110.1716 299.1070 -103.6716 -69.4629 559237.2613 6.1313 6.2261 PRESSURE: 3429600 -127.407 35.3703 -84.3247 35.3717 -254.472 -30.2313 -84.3243 -30.2302 -150.347 GPRESSURE: 3429600 -92.0939 -38.1534 -23.2891 -21.8996 -241.598 -41.7754 -127.148 -32.9089 -105.946 PRESSAVG: 3429600 12.2003 66.8548 -10.3949 66.8547 -2.98962 7.69861 -10.3949 7.69865 3.11675 GPRESSAVG: 3429600 13.2433 66.7114 -9.01785 64.9549 -3.71486 6.16957 -12.1532 9.34176 3.53057 TIMING: 3429600 CPU: 10324.1, 0.00295067/step Wall: 10324.1, 0.00295067/step, 1.28715 hours remaining, 207.917969 MB of memory in use. ENERGY: 3429600 733.3274 2087.4346 1934.3941 104.5140 -206061.0058 17609.8526 0.0000 0.0000 34261.2138 -149330.2694 299.2117 -183591.4832 -149232.4420 299.0570 -177.4085 -146.5459 560005.4757 4.1092 4.3530 PRESSURE: 3429800 71.608 -56.5066 -63.1631 -56.5068 -77.7391 17.2367 -63.1625 17.2372 -41.2222 GPRESSURE: 3429800 53.9813 -15.44 -79.4076 -53.5595 -27.0447 -75.0209 8.65157 28.6808 28.6063 PRESSAVG: 3429800 33.7722 67.9032 9.03472 67.9031 -44.2345 18.5326 9.03487 18.5325 13.0884 GPRESSAVG: 3429800 34.234 68.6419 7.89635 67.6023 -42.9315 18.767 9.05381 17.4205 11.6625 TIMING: 3429800 CPU: 10324.7, 0.00300057/step Wall: 10324.7, 0.00300057/step, 1.30875 hours remaining, 207.917969 MB of memory in use. ENERGY: 3429800 726.0038 2120.9463 1946.4041 101.7166 -206107.2344 17885.3646 0.0000 0.0000 34024.0270 -149302.7721 297.1403 -183326.7991 -149207.4609 298.7448 -15.7844 18.5143 559117.9447 0.8753 0.9884 PRESSURE: 3430000 -67.7303 157.142 15.4344 157.142 50.6596 190.443 15.4345 190.444 55.3098 GPRESSURE: 3430000 -52.0695 167.528 56.7939 131.768 115.693 180.858 -11.5863 232.402 56.6475 PRESSAVG: 3430000 -42.2976 52.6403 -10.8585 52.6403 14.962 -23.5583 -10.8584 -23.5584 46.9536 GPRESSAVG: 3430000 -42.5855 51.6244 -9.68946 54.4556 14.8747 -25.2733 -10.0925 -23.5071 47.3418 TIMING: 3430000 CPU: 10325.3, 0.00297318/step Wall: 10325.3, 0.00297318/step, 1.29663 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: 3430000 753.4918 2119.4163 1938.3540 107.8263 -206302.9277 18009.1804 0.0000 0.0000 33993.2113 -149381.4475 296.8712 -183374.6589 -149278.0152 298.6927 12.7463 40.0904 559367.9682 6.5393 6.5436 PRESSURE: 3430200 185.866 -21.5058 -67.0865 -21.5058 278.786 36.6946 -67.0863 36.6924 10.1462 GPRESSURE: 3430200 171.599 37.2098 -114.574 -13.8864 324.952 30.5088 -34.8173 56.8749 79.5204 PRESSAVG: 3430200 -21.7657 18.6467 -3.81158 18.6466 45.4813 -4.41863 -3.81155 -4.41853 -2.37994 GPRESSAVG: 3430200 -22.0751 19.227 -5.02416 18.1677 45.4548 -3.25996 -1.52861 -3.77091 -1.96691 TIMING: 3430200 CPU: 10325.9, 0.002996/step Wall: 10325.9, 0.002996/step, 1.30642 hours remaining, 207.917969 MB of memory in use. ENERGY: 3430200 733.6972 2064.1397 1937.3678 112.7234 -206570.7767 18115.0893 0.0000 0.0000 34236.2355 -149371.5237 298.9936 -183607.7592 -149277.8658 298.2884 158.2663 192.0239 558650.0670 7.1119 7.1376 PRESSURE: 3430400 -189.667 -13.3382 42.4103 -13.3387 -144.52 8.1654 42.4098 8.16463 -180.912 GPRESSURE: 3430400 -105.253 11.6135 141.083 -14.744 -127.396 -19.7216 -21.0518 -46.0775 -179.386 PRESSAVG: 3430400 -1.63772 -38.9062 -10.8374 -38.9062 -70.141 42.8767 -10.8375 42.8765 70.5209 GPRESSAVG: 3430400 -0.843868 -40.4143 -10.9921 -39.1301 -69.8923 43.4382 -10.9254 42.4886 70.234 TIMING: 3430400 CPU: 10326.5, 0.00298494/step Wall: 10326.5, 0.00298494/step, 1.30143 hours remaining, 208.121094 MB of memory in use. ENERGY: 3430400 749.4798 2081.9599 1933.6256 109.0745 -205997.3411 17563.1015 0.0000 0.0000 34297.2610 -149262.8389 299.5265 -183560.0999 -149162.4313 299.0817 -171.6998 -137.3449 559470.6104 -0.4193 -0.1674 PRESSURE: 3430600 -182.664 52.3204 -94.968 52.32 -20.2347 -120.756 -94.9674 -120.756 -26.9459 GPRESSURE: 3430600 -104.023 11.1055 30.1778 3.26175 9.96487 -126.443 -131.61 -80.9815 -48.5204 PRESSAVG: 3430600 21.5087 -25.2596 6.21476 -25.2596 -62.3154 3.49672 6.21475 3.49674 5.33159 GPRESSAVG: 3430600 20.7329 -23.9507 5.97424 -26.1447 -61.6624 3.29401 4.87435 5.3426 5.18642 TIMING: 3430600 CPU: 10327.1, 0.00296455/step Wall: 10327.1, 0.00296455/step, 1.29238 hours remaining, 208.121094 MB of memory in use. ENERGY: 3430600 748.4821 2077.4349 1957.0842 104.7677 -206145.2108 17861.8518 0.0000 0.0000 34218.1214 -149177.4686 298.8354 -183395.5900 -149069.9919 298.6213 -76.6147 -47.5262 560016.0831 -11.8251 -11.9144 PRESSURE: 3430800 108.253 -65.9453 59.0463 -65.9462 -272.172 166.222 59.0478 166.222 -209.125 GPRESSURE: 3430800 123.305 -110.037 86.8533 -89.5594 -199.018 95.0172 29.09 213.142 -209.493 PRESSAVG: 3430800 50.2387 41.0068 26.7984 41.0068 -31.2739 -7.6386 26.7984 -7.63854 -8.74549 GPRESSAVG: 3430800 49.9506 41.8514 24.6173 42.5583 -31.8002 -6.22613 26.351 -9.14284 -8.33329 TIMING: 3430800 CPU: 10327.7, 0.00296853/step Wall: 10327.7, 0.00296853/step, 1.29395 hours remaining, 208.121094 MB of memory in use. ENERGY: 3430800 740.6781 2099.5618 1947.5980 114.4396 -206125.3657 17781.5705 0.0000 0.0000 34225.8762 -149215.6416 298.9031 -183441.5177 -149124.9678 298.9820 -124.3481 -95.0684 559480.4703 3.4064 3.2724 PRESSURE: 3431000 -215.439 84.7602 53.6844 84.7606 135.73 6.01844 53.6838 6.0187 55.201 GPRESSURE: 3431000 -189.501 109.17 87.0848 50.1813 151.851 -63.1999 93.2618 -10.8537 112.575 PRESSAVG: 3431000 -33.5168 39.4147 63.8834 39.4148 -40.2985 2.27632 63.8834 2.27627 35.475 GPRESSAVG: 3431000 -33.6091 37.1901 65.6573 37.8012 -40.5297 -0.38008 64.2176 2.56192 35.7859 TIMING: 3431000 CPU: 10328.3, 0.00295822/step Wall: 10328.3, 0.00295823/step, 1.28929 hours remaining, 208.121094 MB of memory in use. ENERGY: 3431000 752.7714 2060.1923 1930.0801 101.9640 -206170.5603 17774.9969 0.0000 0.0000 34307.7072 -149242.8483 299.6177 -183550.5556 -149146.4864 298.9319 -8.1695 24.9751 557003.2418 -12.7801 -12.7843 PRESSURE: 3431200 -133.715 -12.9009 93.5894 -12.901 92.7887 -119.295 93.5892 -119.295 -339.554 GPRESSURE: 3431200 -87.1329 -18.4801 89.4274 -63.5958 150.347 -96.444 79.6592 -49.2324 -361.203 PRESSAVG: 3431200 19.3343 10.4703 56.837 10.4702 29.0937 -21.7726 56.8371 -21.7725 -75.2425 GPRESSAVG: 3431200 18.9881 12.5843 55.8344 9.49741 28.6538 -20.341 55.4109 -19.9829 -74.7401 TIMING: 3431200 CPU: 10328.9, 0.00295147/step Wall: 10328.9, 0.00295147/step, 1.28618 hours remaining, 208.121094 MB of memory in use. ENERGY: 3431200 720.7158 2090.0225 1940.2995 107.3187 -205998.7532 17721.0319 0.0000 0.0000 34252.6165 -149166.7483 299.1366 -183419.3648 -149064.4054 299.5730 -126.8267 -99.3298 557528.2734 -8.9381 -9.0327 PRESSURE: 3431400 -104.38 32.7973 38.6758 32.7971 187.743 -90.499 38.677 -90.5001 -15.3308 GPRESSURE: 3431400 -89.4469 116.287 65.1432 -100.293 236.513 -37.9228 -31.4353 -101.166 24.2782 PRESSAVG: 3431400 -19.0018 -38.1685 52.8326 -38.1686 45.1044 17.2694 52.8325 17.2693 -60.7112 GPRESSAVG: 3431400 -18.0344 -37.951 52.8792 -36.943 44.926 16.8984 53.6815 15.4847 -60.9967 TIMING: 3431400 CPU: 10329.5, 0.0029559/step Wall: 10329.5, 0.0029559/step, 1.28795 hours remaining, 208.121094 MB of memory in use. ENERGY: 3431400 713.3927 2136.5938 1910.3388 99.8031 -206271.5057 17957.6336 0.0000 0.0000 34294.2678 -149159.4758 299.5004 -183453.7436 -149066.8920 299.5215 22.6777 57.1147 559682.9404 -11.5362 -11.3683 PRESSURE: 3431600 -132.799 61.0411 25.7195 61.0406 282.134 -15.1823 25.7194 -15.1804 40.6537 GPRESSURE: 3431600 -110.551 107.171 76.3033 39.2913 309.828 -113.285 -77.9338 57.6594 83.494 PRESSAVG: 3431600 0.753834 60.2148 15.1982 60.2149 97.1574 50.2298 15.1983 50.2298 -81.0532 GPRESSAVG: 3431600 0.622457 58.4086 16.5405 60.9534 97.7718 51.1586 16.2581 50.1446 -80.8399 TIMING: 3431600 CPU: 10330.1, 0.00294232/step Wall: 10330.1, 0.00294232/step, 1.28187 hours remaining, 208.121094 MB of memory in use. ENERGY: 3431600 718.6450 2047.8431 1924.1461 114.7979 -206531.5296 18002.0171 0.0000 0.0000 34246.2272 -149477.8533 299.0808 -183724.0805 -149382.2398 299.1595 63.3296 94.2572 557063.6210 5.6193 5.8515 PRESSURE: 3431800 2.88812 68.6861 174.597 68.6862 63.9919 64.3769 174.596 64.3759 282.504 GPRESSURE: 3431800 71.3139 63.5591 125.241 122.145 98.9727 82.6952 268.814 7.01038 274.643 PRESSAVG: 3431800 8.23677 -12.5958 23.3979 -12.5958 -4.72905 16.9622 23.398 16.9622 20.6444 GPRESSAVG: 3431800 8.68048 -11.8224 22.9414 -11.5359 -4.9985 16.8731 22.5184 16.3802 21.0476 TIMING: 3431800 CPU: 10330.7, 0.00295561/step Wall: 10330.7, 0.00295561/step, 1.28749 hours remaining, 208.121094 MB of memory in use. ENERGY: 3431800 739.4613 2079.9545 1937.4009 113.0812 -206345.6950 17887.9172 0.0000 0.0000 34191.8954 -149395.9845 298.6063 -183587.8799 -149313.1464 299.0093 116.4612 148.3098 558123.7814 8.0507 8.2432 PRESSURE: 3432000 -201.276 -6.74844 203.296 -6.74926 -237.299 13.1635 203.296 13.1644 -133.506 GPRESSURE: 3432000 -140.512 74.3937 192.16 -32.7454 -171.304 28.0256 154.735 39.729 -170.195 PRESSAVG: 3432000 39.5482 23.4242 35.1107 23.4242 -14.9146 29.7014 35.1107 29.7014 -11.8734 GPRESSAVG: 3432000 39.6666 23.3649 34.5881 21.8231 -14.6587 27.5865 36.2963 31.7338 -12.2924 TIMING: 3432000 CPU: 10331.3, 0.00297168/step Wall: 10331.3, 0.00297168/step, 1.29433 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: 3432000 772.9490 2037.1645 1926.9115 112.5126 -206086.9907 17775.2249 0.0000 0.0000 34156.8225 -149305.4057 298.3000 -183462.2281 -149212.1720 298.9236 -190.6933 -160.6704 559264.3027 4.2534 4.2385 PRESSURE: 3432200 -174.796 -27.8197 50.4912 -27.819 -123.173 -77.4172 50.4903 -77.4149 -102.684 GPRESSURE: 3432200 -82.7283 -13.4908 108.678 -11.4018 -183.855 -3.0799 -7.2338 -119.201 -48.7804 PRESSAVG: 3432200 28.7252 30.1313 5.62223 30.1314 -42.6356 -41.9974 5.62222 -41.9975 1.89212 GPRESSAVG: 3432200 28.014 31.1967 7.78066 30.9142 -41.4312 -41.0772 4.64561 -42.6014 1.30811 TIMING: 3432200 CPU: 10331.8, 0.00296654/step Wall: 10331.8, 0.00296654/step, 1.29193 hours remaining, 208.121094 MB of memory in use. ENERGY: 3432200 758.3355 2064.2796 1941.0558 106.3689 -206302.7050 17810.6942 0.0000 0.0000 34352.0872 -149269.8837 300.0053 -183621.9710 -149169.0288 299.0152 -133.5512 -105.1213 558631.7483 -4.0061 -4.0364 LDB: ============= START OF LOAD BALANCING ============== 10335.4 LDB: ============== END OF LOAD BALANCING =============== 10335.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10335.4 LDB: ============= START OF LOAD BALANCING ============== 10335.7 LDB: Largest compute 4773 load 0.029612 is 25.1% of average load 0.118168 LDB: Average compute 0.001725 is 1.5% of average load 0.118168 LDB: TIME 10335.7 LOAD: AVG 0.118168 MAX 0.204675 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.711 MB LDB: TIME 10335.7 LOAD: AVG 0.118168 MAX 0.204675 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.914 MB LDB: TIME 10335.7 LOAD: AVG 0.118168 MAX 0.204675 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.914 MB LDB: ============== END OF LOAD BALANCING =============== 10335.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10335.7 PRESSURE: 3432400 28.5876 -153.415 -106.231 -153.415 -183.546 51.2809 -106.23 51.2816 -89.8649 GPRESSURE: 3432400 62.5691 -154.375 -163.033 -168.271 -104.696 53.4304 -122.468 3.41384 -116.791 PRESSAVG: 3432400 10.2719 22.4354 23.6139 22.4354 -38.3724 -44.6813 23.614 -44.6814 -2.19618 GPRESSAVG: 3432400 10.1971 19.1587 20.9015 23.382 -38.2863 -44.7104 24.4262 -46.1201 -2.44385 TIMING: 3432400 CPU: 10332.5, 0.00303237/step Wall: 10332.5, 0.00303237/step, 1.32043 hours remaining, 210.742188 MB of memory in use. ENERGY: 3432400 745.4439 2022.4345 1968.3235 125.8550 -206385.1218 17900.4909 0.0000 0.0000 34119.2814 -149503.2924 297.9722 -183622.5738 -149408.4855 298.2611 -81.6078 -52.9727 557994.8000 -10.0989 -10.1777 PRESSURE: 3432600 185.252 36.763 -117.811 36.7629 -120.122 48.3436 -117.811 48.3438 -13.4592 GPRESSURE: 3432600 178.271 15.1441 -63.9209 -43.5186 -57.1915 111.228 -93.976 13.4719 20.7655 PRESSAVG: 3432600 58.4946 -10.1701 44.8947 -10.1701 -131.83 28.8787 44.8947 28.8789 6.34553 GPRESSAVG: 3432600 58.1129 -9.24369 45.2661 -10.7525 -131.134 29.8884 44.4829 28.1935 5.92196 TIMING: 3432600 CPU: 10333.1, 0.00299394/step Wall: 10333.1, 0.00299394/step, 1.30353 hours remaining, 210.812500 MB of memory in use. ENERGY: 3432600 736.1485 2045.2135 1952.1783 102.1056 -206248.8051 17898.7449 0.0000 0.0000 33928.1738 -149586.2404 296.3032 -183514.4142 -149489.2924 297.7755 17.2235 47.2818 558019.4546 -22.3300 -22.3664 PRESSURE: 3432800 -245.282 2.65227 -95.4886 2.65118 -126.993 84.0943 -95.489 84.0935 51.3721 GPRESSURE: 3432800 -299.147 61.2398 -188.58 -23.9925 -90.3353 127.907 -3.17095 128.226 154.686 PRESSAVG: 3432800 34.9976 7.42532 53.9861 7.42534 -59.8762 33.8431 53.9861 33.8431 2.88954 GPRESSAVG: 3432800 34.8943 9.62713 54.1095 6.19241 -60.6295 33.5136 54.244 35.519 3.32074 TIMING: 3432800 CPU: 10333.7, 0.00300108/step Wall: 10333.7, 0.00300108/step, 1.30647 hours remaining, 210.812500 MB of memory in use. ENERGY: 3432800 735.0409 2091.5193 1944.0120 113.3453 -206108.5414 17599.5622 0.0000 0.0000 33932.1255 -149692.9362 296.3377 -183625.0617 -149595.2532 298.0428 -106.9677 -78.2656 557004.2947 -7.3297 -7.4715 PRESSURE: 3433000 -173.997 16.6426 171.811 16.6409 -129.72 -34.1686 171.81 -34.1688 -244.495 GPRESSURE: 3433000 -125.286 31.1259 194.269 31.4945 -81.0447 -34.1656 201.705 24.68 -241.505 PRESSAVG: 3433000 -1.36171 68.7719 24.6278 68.772 -6.15579 -2.50149 24.6278 -2.50139 -27.3168 GPRESSAVG: 3433000 -1.66053 67.3642 24.3772 70.5831 -4.76406 -2.66511 24.3321 -4.18067 -27.979 TIMING: 3433000 CPU: 10334.3, 0.00298322/step Wall: 10334.3, 0.00298322/step, 1.29853 hours remaining, 210.812500 MB of memory in use. ENERGY: 3433000 765.7252 2068.8014 1949.4944 104.5780 -206169.1474 17722.5604 0.0000 0.0000 34031.5047 -149526.4832 297.2056 -183557.9880 -149426.8702 298.3528 -182.7375 -149.2786 557560.9284 -11.6114 -11.4679 PRESSURE: 3433200 90.9276 159.316 67.6174 159.318 150.299 -116.794 67.6195 -116.793 -229.655 GPRESSURE: 3433200 108.885 51.9399 24.6558 240.877 164.327 -57.9152 92.9882 -87.1736 -164.206 PRESSAVG: 3433200 104.9 43.2738 28.1008 43.2737 18.2028 32.2962 28.1008 32.2961 -77.3546 GPRESSAVG: 3433200 105.179 43.4921 31.624 43.1919 16.9519 32.1739 27.1291 33.3431 -76.5452 TIMING: 3433200 CPU: 10334.9, 0.0030183/step Wall: 10334.9, 0.0030183/step, 1.31363 hours remaining, 210.812500 MB of memory in use. ENERGY: 3433200 694.4361 2048.1816 1948.5070 101.0774 -206462.8443 17939.4821 0.0000 0.0000 34295.3498 -149435.8105 299.5098 -183731.1603 -149335.8849 298.4666 3.8574 36.3352 556519.8825 15.2494 15.1953 PRESSURE: 3433400 -156.395 84.7806 23.4388 84.7806 18.7219 -37.4922 23.4371 -37.4931 -243.212 GPRESSURE: 3433400 -129.811 16.1759 -4.69434 62.9875 75.4883 -41.143 29.9757 -57.1084 -229.555 PRESSAVG: 3433400 34.1926 26.9541 10.4994 26.9541 28.7113 14.0509 10.4994 14.0508 -37.4015 GPRESSAVG: 3433400 34.3539 25.2261 9.29652 27.401 28.2699 15.5942 10.9802 14.3616 -37.7777 TIMING: 3433400 CPU: 10335.5, 0.00297909/step Wall: 10335.5, 0.00297909/step, 1.2964 hours remaining, 210.812500 MB of memory in use. ENERGY: 3433400 743.3381 2163.9856 1913.0349 104.5229 -206141.4197 17665.1818 0.0000 0.0000 34186.2050 -149365.1514 298.5566 -183551.3564 -149283.5631 298.5605 -126.9617 -94.6259 555673.8906 8.5008 8.2820 PRESSURE: 3433600 7.34832 -8.32034 10.9759 -8.32136 -114.294 -57.5203 10.9751 -57.5187 143.09 GPRESSURE: 3433600 57.2786 0.405198 38.1113 24.5672 -57.2296 -57.9758 66.1188 -56.6039 128.845 PRESSAVG: 3433600 33.6773 61.7627 50.1077 61.7627 -67.6423 -42.7922 50.1076 -42.7922 -26.2636 GPRESSAVG: 3433600 33.9652 61.8215 49.8603 61.4148 -67.7906 -43.4837 51.7705 -41.0583 -26.1059 TIMING: 3433600 CPU: 10336, 0.00296595/step Wall: 10336, 0.00296595/step, 1.29052 hours remaining, 210.812500 MB of memory in use. ENERGY: 3433600 781.8628 2064.5895 1932.6504 111.8740 -206320.3811 17866.5149 0.0000 0.0000 34288.6874 -149274.2020 299.4516 -183562.8895 -149175.0834 299.6577 12.0482 42.9648 555721.1575 -20.0762 -19.9771 PRESSURE: 3433800 147.705 -42.6745 1.71277 -42.6731 -53.0959 -8.77332 1.71155 -8.77498 103.919 GPRESSURE: 3433800 201.985 -73.5406 4.74971 -3.42212 -32.8009 -63.7161 16.1804 2.91424 124.894 PRESSAVG: 3433800 28.2533 -5.51481 -51.51 -5.51476 -55.2928 29.0789 -51.51 29.0789 1.81521 GPRESSAVG: 3433800 26.95 -6.85534 -50.9314 -5.2464 -55.6823 28.0681 -52.7561 27.8586 2.98227 TIMING: 3433800 CPU: 10336.6, 0.00297942/step Wall: 10336.6, 0.00297942/step, 1.29621 hours remaining, 210.812500 MB of memory in use. ENERGY: 3433800 756.7314 2067.5115 1934.8997 106.1979 -206557.9504 18032.9954 0.0000 0.0000 34353.5103 -149306.1042 300.0177 -183659.6145 -149211.8632 298.8691 66.1760 98.0259 557309.0579 -8.4081 -8.5834 PRESSURE: 3434000 57.9451 16.1925 90.9029 16.193 -236.118 -29.4527 90.9038 -29.4534 -169.732 GPRESSURE: 3434000 110.776 -8.91514 76.649 9.70032 -197.032 -35.8742 66.2488 48.422 -174.018 PRESSAVG: 3434000 59.8506 9.00457 8.45847 9.00454 -79.9736 13.9522 8.45844 13.9522 35.2871 GPRESSAVG: 3434000 60.757 9.26442 7.86787 7.09257 -78.9547 14.7161 7.43857 15.1339 33.5146 TIMING: 3434000 CPU: 10337.2, 0.00297376/step Wall: 10337.2, 0.00297376/step, 1.29359 hours remaining, 210.812500 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: 3434000 747.6185 2078.1983 1973.8370 115.8929 -206022.4201 17593.8635 0.0000 0.0000 34199.8359 -149313.1742 298.6757 -183513.0100 -149210.5776 298.6749 -115.9683 -86.7579 557149.0597 5.0547 5.1056 PRESSURE: 3434200 48.0486 -149.694 -35.1092 -149.695 -204.177 -70.4167 -35.1098 -70.4169 -248.712 GPRESSURE: 3434200 91.4877 -76.7564 -116.403 -176.394 -213.019 -113.573 -28.9217 -20.2019 -200.045 PRESSAVG: 3434200 13.1309 -22.6336 22.2623 -22.6337 -31.3255 17.1882 22.2622 17.1883 40.8397 GPRESSAVG: 3434200 12.6161 -20.7874 23.8208 -21.0473 -31.4071 17.6332 22.6994 16.4921 40.4945 TIMING: 3434200 CPU: 10337.8, 0.00296265/step Wall: 10337.8, 0.00296265/step, 1.28859 hours remaining, 210.812500 MB of memory in use. ENERGY: 3434200 768.1332 2022.1223 1963.6100 113.0502 -206043.8331 17696.1589 0.0000 0.0000 34197.2959 -149283.4626 298.6535 -183480.7586 -149184.9175 298.8373 -134.9467 -107.1918 557569.7021 7.5484 7.2345 PRESSURE: 3434400 -118.163 98.6005 106.822 98.6009 -165.368 98.506 106.821 98.505 -51.8848 GPRESSURE: 3434400 -143.966 90.7714 235.29 132.755 -124.15 143.34 64.9708 136.358 22.8521 PRESSAVG: 3434400 1.89966 50.2319 -44.5136 50.2319 -17.955 67.8632 -44.5135 67.8632 -35.8318 GPRESSAVG: 3434400 3.13821 50.9305 -45.4456 49.4349 -20.0625 68.2117 -43.5642 67.6278 -34.8089 TIMING: 3434400 CPU: 10338.4, 0.00296717/step Wall: 10338.4, 0.00296717/step, 1.29039 hours remaining, 210.812500 MB of memory in use. ENERGY: 3434400 731.1245 2098.3067 1939.9751 113.5912 -206315.6402 17682.2722 0.0000 0.0000 34376.5693 -149373.8012 300.2191 -183750.3705 -149280.0099 299.4781 -111.8053 -81.7547 557195.8429 -17.2957 -17.2444 PRESSURE: 3434600 -140.439 91.3315 90.2073 91.3337 -102.306 38.8479 90.2053 38.8481 -128.555 GPRESSURE: 3434600 -44.6003 20.8045 175.434 72.8788 -92.6253 56.966 32.7298 -6.19253 -146.509 PRESSAVG: 3434600 67.4658 31.3666 7.10661 31.3667 -101.586 -7.85306 7.10663 -7.85295 59.9489 GPRESSAVG: 3434600 65.8829 29.2662 5.75747 30.268 -99.8233 -7.1521 7.27536 -9.37541 59.9399 TIMING: 3434600 CPU: 10339, 0.00296438/step Wall: 10339, 0.00296438/step, 1.28901 hours remaining, 210.812500 MB of memory in use. ENERGY: 3434600 762.8925 2053.7585 1964.8323 124.3396 -205876.4750 17701.6640 0.0000 0.0000 34089.6456 -149179.3425 297.7134 -183268.9880 -149075.7602 298.8574 -123.7665 -94.5782 556818.6203 8.6095 8.6665 PRESSURE: 3434800 -283.812 82.6968 -17.4402 82.6977 -354.137 -122.345 -17.4404 -122.345 -414.663 GPRESSURE: 3434800 -273.108 64.719 7.11068 102.275 -319.315 -54.6045 -33.4119 -89.9102 -360.21 PRESSAVG: 3434800 35.8923 31.7445 -17.7387 31.7444 -39.5644 -15.3147 -17.7388 -15.3147 -44.2439 GPRESSAVG: 3434800 36.2642 34.9014 -16.0169 30.4039 -39.2174 -16.471 -18.3065 -13.2082 -44.6708 TIMING: 3434800 CPU: 10339.6, 0.00298536/step Wall: 10339.6, 0.00298536/step, 1.29797 hours remaining, 210.812500 MB of memory in use. ENERGY: 3434800 760.7766 2110.4286 1908.4840 115.2679 -205644.0398 17250.9226 0.0000 0.0000 34194.1267 -149304.0336 298.6258 -183498.1603 -149206.6703 299.1867 -350.8707 -317.5442 558442.7248 -15.9720 -15.8747 PRESSURE: 3435000 0.862595 45.956 83.2675 45.9555 -109.363 109.775 83.2671 109.777 43.3742 GPRESSURE: 3435000 1.79447 -15.4804 72.2179 72.1553 -77.5242 201.312 58.3042 163.825 118.802 PRESSAVG: 3435000 35.8993 -37.1494 -36.556 -37.1493 -73.0188 12.1795 -36.556 12.1794 4.70552 GPRESSAVG: 3435000 35.3106 -40.4865 -36.1878 -34.2668 -73.1803 13.076 -36.3166 10.6234 5.64236 TIMING: 3435000 CPU: 10340.2, 0.00297551/step Wall: 10340.2, 0.00297551/step, 1.29352 hours remaining, 211.074219 MB of memory in use. ENERGY: 3435000 749.0297 2046.9156 1908.4614 109.7710 -206013.4337 17700.5401 0.0000 0.0000 34276.7015 -149222.0143 299.3470 -183498.7158 -149126.0782 299.2080 -21.7088 14.3573 556373.0819 -10.8047 -10.7424 PRESSURE: 3435200 146.99 -127.863 -5.22287 -127.863 -125.143 103.132 -5.22349 103.131 -86.2458 GPRESSURE: 3435200 143.149 -20.4763 -36.8607 -210.998 -48.9766 67.0469 20.4115 80.8146 -59.0156 PRESSAVG: 3435200 22.714 -14.3405 -40.459 -14.3406 -75.8593 -6.05037 -40.4591 -6.05025 70.5689 GPRESSAVG: 3435200 22.3479 -11.5249 -41.3179 -16.4958 -75.5179 -7.71489 -41.201 -5.13437 70.5238 TIMING: 3435200 CPU: 10340.8, 0.00301494/step Wall: 10340.8, 0.00301494/step, 1.31049 hours remaining, 211.074219 MB of memory in use. ENERGY: 3435200 742.6383 2095.2575 1937.9948 121.3481 -205732.1601 17435.7151 0.0000 0.0000 34130.0114 -149269.1948 298.0659 -183399.2062 -149170.3831 299.5056 -21.4663 11.7188 554925.1798 5.8079 5.7846 PRESSURE: 3435400 66.5247 27.2972 98.8506 27.2969 35.6978 -46.0862 98.8506 -46.0858 -96.8781 GPRESSURE: 3435400 103.664 30.4842 56.8568 -49.0544 70.9402 -54.1537 102.108 -70.6786 -68.4723 PRESSAVG: 3435400 46.4632 -30.8423 -32.4616 -30.8423 19.5591 -12.9312 -32.4616 -12.9312 7.84362 GPRESSAVG: 3435400 46.9268 -32.2622 -32.1263 -27.5692 20.1221 -11.2206 -30.855 -14.3633 6.90569 TIMING: 3435400 CPU: 10341.4, 0.00305777/step Wall: 10341.4, 0.00305777/step, 1.32894 hours remaining, 211.074219 MB of memory in use. ENERGY: 3435400 726.6089 2101.6745 1925.2473 106.9069 -205935.3758 17471.7976 0.0000 0.0000 34391.7310 -149211.4097 300.3515 -183603.1407 -149118.4589 299.6030 1.7815 35.3774 555351.1515 24.6220 24.6515 PRESSURE: 3435600 -66.8301 161.809 35.257 161.808 -169 117.796 35.2569 117.795 -312.982 GPRESSURE: 3435600 -89.6411 153.592 -27.2666 171.363 -123.684 98.3514 128.392 119.512 -245.596 PRESSAVG: 3435600 -10.0113 -18.6188 -14.8322 -18.6188 69.1819 44.9384 -14.8322 44.9384 -86.294 GPRESSAVG: 3435600 -9.48095 -15.8473 -15.8949 -21.3872 68.7186 43.5918 -17.4122 45.7811 -86.4429 TIMING: 3435600 CPU: 10342, 0.00298138/step Wall: 10342, 0.00298138/step, 1.29557 hours remaining, 211.074219 MB of memory in use. ENERGY: 3435600 737.7809 2116.2848 1953.7491 133.6947 -205910.9384 17425.0917 0.0000 0.0000 34245.7227 -149298.6145 299.0764 -183544.3371 -149204.7174 299.0831 -182.9373 -152.9738 556913.6250 -9.0412 -9.0684 PRESSURE: 3435800 77.4222 136.081 71.0371 136.081 137.423 59.3225 71.038 59.3228 155.066 GPRESSURE: 3435800 82.1118 70.5428 87.3223 190.371 158.165 -3.76168 63.0953 77.5711 222.859 PRESSAVG: 3435800 58.7449 -7.83018 19.0868 -7.83017 -42.7624 -2.60592 19.0868 -2.60586 -58.8861 GPRESSAVG: 3435800 58.7732 -10.1406 19.8586 -7.18851 -43.2879 -2.89636 21.0293 -1.40749 -58.9532 TIMING: 3435800 CPU: 10342.6, 0.00295612/step Wall: 10342.6, 0.00295612/step, 1.28443 hours remaining, 211.140625 MB of memory in use. ENERGY: 3435800 736.9609 2092.5340 1948.5835 119.3288 -206525.3095 17930.1711 0.0000 0.0000 34358.1205 -149339.6107 300.0580 -183697.7312 -149240.9149 299.4854 123.3038 154.3785 555355.0831 -14.3012 -14.4893 PRESSURE: 3436000 93.6519 102.348 -20.9896 102.348 -342.473 53.0129 -20.9902 53.0134 -207.753 GPRESSURE: 3436000 65.3717 63.4529 103.506 125.65 -271.489 15.4262 -61.167 96.8617 -169.032 PRESSAVG: 3436000 36.6944 50.0681 -16.5404 50.0681 27.758 -10.4706 -16.5405 -10.4706 8.83493 GPRESSAVG: 3436000 34.9775 50.979 -15.0911 51.1736 29.3724 -9.69813 -18.7552 -12.4154 8.85282 TIMING: 3436000 CPU: 10343.2, 0.00295688/step Wall: 10343.2, 0.00295688/step, 1.2846 hours remaining, 211.140625 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: 3436000 763.1774 2076.7109 1942.7746 103.6459 -205904.9510 17389.5851 0.0000 0.0000 34312.6478 -149316.4093 299.6609 -183629.0571 -149212.3047 298.8935 -152.1913 -125.0496 557003.2508 24.4291 24.4009 PRESSURE: 3436200 -2.91472 -216.373 -95.6971 -216.374 -174.172 133.941 -95.6975 133.942 -485.199 GPRESSURE: 3436200 -1.8133 -199.555 -103.481 -137.527 -105.511 130.249 -69.8772 100.992 -457.139 PRESSAVG: 3436200 10.9002 61.9717 -36.6834 61.9717 -21.214 42.3148 -36.6834 42.3148 13.7498 GPRESSAVG: 3436200 11.7658 62.1789 -38.6303 60.2739 -21.4155 42.6592 -33.0298 45.0195 13.1311 TIMING: 3436200 CPU: 10343.8, 0.00298066/step Wall: 10343.8, 0.00298066/step, 1.29477 hours remaining, 211.140625 MB of memory in use. ENERGY: 3436200 790.6485 2040.0630 1959.1548 113.4190 -206047.9244 17653.0466 0.0000 0.0000 34209.1169 -149282.4757 298.7567 -183491.5926 -149182.2531 298.8940 -220.7619 -188.1545 557120.4160 1.1453 1.1605 LDB: ============= START OF LOAD BALANCING ============== 10347.3 LDB: ============== END OF LOAD BALANCING =============== 10347.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10347.3 LDB: ============= START OF LOAD BALANCING ============== 10347.6 LDB: Largest compute 4773 load 0.030356 is 25.7% of average load 0.118141 LDB: Average compute 0.001729 is 1.5% of average load 0.118141 LDB: TIME 10347.6 LOAD: AVG 0.118141 MAX 0.204937 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 10347.6 LOAD: AVG 0.118141 MAX 0.204937 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.27 MB LDB: TIME 10347.6 LOAD: AVG 0.118141 MAX 0.204937 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.27 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10347.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10347.6 PRESSURE: 3436400 47.2048 59.0992 -53.0621 59.0986 -171.522 -20.5352 -53.0603 -20.5355 -213.399 GPRESSURE: 3436400 30.0119 41.493 -45.4563 47.3674 -108.868 -19.0681 -44.977 7.63003 -145.048 PRESSAVG: 3436400 2.84304 -27.0434 -26.2496 -27.0434 -37.3761 39.7389 -26.2496 39.7388 16.8214 GPRESSAVG: 3436400 3.49325 -27.215 -26.4791 -27.806 -38.9442 39.1852 -26.8681 39.2985 17.8173 TIMING: 3436400 CPU: 10344.4, 0.0030324/step Wall: 10344.4, 0.0030324/step, 1.31707 hours remaining, 207.714844 MB of memory in use. ENERGY: 3436400 756.5502 2088.7319 1929.8479 119.6556 -206102.7386 17637.3576 0.0000 0.0000 34180.9892 -149389.6061 298.5111 -183570.5953 -149295.2484 298.6889 -112.5720 -74.6347 557077.4916 -5.9039 -5.8779 PRESSURE: 3436600 -190.906 91.592 73.5103 91.59 34.8802 -95.9226 73.5112 -95.9215 100.179 GPRESSURE: 3436600 -169.552 52.5164 64.5877 152.967 27.1571 -101.968 -0.821091 -120.266 181.404 PRESSAVG: 3436600 -2.7613 19.0075 35.4104 19.0075 -53.1092 -6.1625 35.4103 -6.16254 50.4665 GPRESSAVG: 3436600 -3.87361 18.9174 36.7493 22.1334 -52.7922 -5.93576 33.0412 -5.55451 51.1434 TIMING: 3436600 CPU: 10345, 0.00298243/step Wall: 10345, 0.00298243/step, 1.2952 hours remaining, 207.917969 MB of memory in use. ENERGY: 3436600 767.3087 2077.5001 1961.4463 132.2635 -205736.0666 17679.2276 0.0000 0.0000 34006.3150 -149112.0052 296.9856 -183118.3203 -149017.3822 298.9727 -18.6156 13.0031 558296.0378 -1.8014 -1.8408 PRESSURE: 3436800 -163.808 43.0195 -26.5851 43.0195 -30.4298 -81.6105 -26.5859 -81.6091 -187.086 GPRESSURE: 3436800 -144.525 -2.59726 3.57749 60.1177 -13.4443 -80.8539 15.1278 -49.2024 -127.658 PRESSAVG: 3436800 33.7974 65.292 -17.7952 65.2921 42.6225 -39.585 -17.7952 -39.585 -31.5148 GPRESSAVG: 3436800 34.0049 66.4876 -18.922 61.6744 43.2473 -39.2334 -15.6161 -40.4647 -31.8854 TIMING: 3436800 CPU: 10345.6, 0.00298986/step Wall: 10345.6, 0.00298986/step, 1.29827 hours remaining, 207.917969 MB of memory in use. ENERGY: 3436800 766.2817 2052.4190 1941.1463 118.5751 -205892.4610 17546.1311 0.0000 0.0000 34294.9873 -149172.9204 299.5067 -183467.9077 -149080.1617 299.6176 -127.1081 -95.2089 558329.0246 14.9684 15.1222 PRESSURE: 3437000 35.4193 8.73557 81.8193 8.73567 -175.836 98.0332 81.8204 98.0318 -185.547 GPRESSURE: 3437000 -18.062 25.1108 5.46766 -31.425 -85.3613 137.243 88.5047 11.8714 -128.615 PRESSAVG: 3437000 8.12886 24.8108 7.30442 24.8107 23.5885 -15.6447 7.30445 -15.6447 -50.5186 GPRESSAVG: 3437000 8.64399 25.6616 10.4528 26.3619 24.0723 -15.339 6.3801 -15.5994 -51.687 TIMING: 3437000 CPU: 10346.2, 0.00299113/step Wall: 10346.2, 0.00299113/step, 1.29865 hours remaining, 208.121094 MB of memory in use. ENERGY: 3437000 727.6104 2127.0318 1935.2508 109.9108 -205818.9800 17433.4909 0.0000 0.0000 34342.7930 -149142.8923 299.9242 -183485.6853 -149056.8121 300.1908 -108.6545 -77.3462 557768.4913 -6.2671 -6.3235 PRESSURE: 3437200 69.5568 -93.8006 -131.725 -93.7999 105.27 125.863 -131.724 125.863 -163.846 GPRESSURE: 3437200 123.668 -93.4681 -35.6581 -38.8639 132.071 78.2722 -114.22 125.644 -148.083 PRESSAVG: 3437200 46.4993 -43.6459 -39.0073 -43.6459 21.0941 11.6875 -39.0073 11.6874 -41.0691 GPRESSAVG: 3437200 47.0076 -44.747 -42.0436 -44.04 20.4284 10.8763 -37.8979 12.4118 -40.682 TIMING: 3437200 CPU: 10346.8, 0.00301625/step Wall: 10346.8, 0.00301625/step, 1.30939 hours remaining, 208.121094 MB of memory in use. ENERGY: 3437200 719.1927 2064.1313 1953.5067 112.7922 -206343.1555 17815.4634 0.0000 0.0000 34409.8871 -149268.1820 300.5101 -183678.0692 -149160.1823 299.8109 3.6603 35.8853 555571.5200 8.8414 8.9180 PRESSURE: 3437400 149.266 18.8947 102.238 18.8951 -157.056 -10.3285 102.237 -10.3305 -121.538 GPRESSURE: 3437400 199.763 119.556 108.555 -37.2109 -190.363 74.0933 4.27441 -7.87644 -33.9798 PRESSAVG: 3437400 66.0741 -4.43324 -45.2354 -4.43331 -5.36323 13.8374 -45.2354 13.8373 -38.9482 GPRESSAVG: 3437400 66.8246 -6.71862 -44.8256 -2.69557 -6.92366 13.4588 -45.5615 13.4119 -37.6117 TIMING: 3437400 CPU: 10347.4, 0.00300397/step Wall: 10347.4, 0.00300397/step, 1.30389 hours remaining, 208.121094 MB of memory in use. ENERGY: 3437400 755.5634 2038.5379 1940.7569 108.5163 -206112.8874 17776.5281 0.0000 0.0000 34185.3685 -149307.6164 298.5493 -183492.9848 -149214.4177 299.4468 -43.1094 -8.1934 556462.3799 7.2542 7.4298 PRESSURE: 3437600 51.98 8.22731 -230.317 8.22699 -38.4268 20.7556 -230.317 20.7529 -196.756 GPRESSURE: 3437600 61.1508 -32.1222 -178.719 8.52344 -42.8218 -10.456 -238.258 -5.17258 -120.26 PRESSAVG: 3437600 29.8669 20.8317 -50.3969 20.8318 7.84259 35.0765 -50.397 35.0766 -17.9043 GPRESSAVG: 3437600 28.4945 20.7972 -50.3551 18.8581 8.5816 35.4467 -49.8838 35.2604 -17.7262 TIMING: 3437600 CPU: 10348, 0.0030258/step Wall: 10348, 0.0030258/step, 1.3132 hours remaining, 208.121094 MB of memory in use. ENERGY: 3437600 731.2809 2067.5734 1943.1645 108.0279 -205917.7202 17631.7188 0.0000 0.0000 34264.6970 -149171.2577 299.2421 -183435.9546 -149077.1558 299.7383 -61.0676 -33.9771 557154.9548 6.6017 6.4500 PRESSURE: 3437800 -47.9615 44.0234 -60.3563 44.0236 268.195 -3.12062 -60.3565 -3.12013 32.0182 GPRESSURE: 3437800 31.5744 36.6133 -90.0126 9.17654 248.062 -48.8071 -143.091 15.8943 77.7368 PRESSAVG: 3437800 -54.6646 -18.1655 3.59233 -18.1655 21.5002 26.3573 3.59239 26.3572 44.5468 GPRESSAVG: 3437800 -53.6453 -17.5588 4.62168 -19.1755 21.2165 26.1156 3.4766 25.5435 44.2753 TIMING: 3437800 CPU: 10348.6, 0.00300813/step Wall: 10348.6, 0.00300813/step, 1.30536 hours remaining, 208.121094 MB of memory in use. ENERGY: 3437800 752.6445 2114.3149 1941.4594 113.9592 -206156.5688 17752.1886 0.0000 0.0000 34181.8777 -149300.1244 298.5188 -183482.0021 -149213.4089 299.5674 84.0838 119.1243 554510.7999 3.7941 3.9488 PRESSURE: 3438000 68.0138 41.0019 -252.004 41.0021 -57.1434 -95.4546 -252.003 -95.4525 9.98546 GPRESSURE: 3438000 83.116 54.5553 -253.626 -11.1782 -12.4635 -120.54 -190.65 -42.8005 49.0298 PRESSAVG: 3438000 44.458 -27.6881 -3.94616 -27.6882 74.2104 -7.07961 -3.94614 -7.07964 -77.0342 GPRESSAVG: 3438000 44.2364 -27.0829 -1.45314 -26.7839 74.6655 -5.23784 -4.63694 -8.37145 -77.0212 TIMING: 3438000 CPU: 10349.2, 0.00301395/step Wall: 10349.2, 0.00301395/step, 1.30772 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: 3438000 746.3212 2105.1757 1954.5036 124.3233 -206314.8855 17865.4683 0.0000 0.0000 34347.1857 -149171.9077 299.9625 -183519.0934 -149083.2815 299.5844 6.9519 39.8941 556678.2601 13.8780 13.9602 PRESSURE: 3438200 435.572 14.5117 -24.9392 14.5124 152.873 85.4514 -24.9371 85.4534 -115.051 GPRESSURE: 3438200 433.877 -13.2102 -60.0062 64.5872 221.993 58.9783 15.1605 88.0445 -83.5522 PRESSAVG: 3438200 38.6197 -17.8002 34.5392 -17.8001 46.7526 -30.0924 34.5392 -30.0924 -52.4357 GPRESSAVG: 3438200 38.7843 -18.31 32.3497 -16.9559 46.9835 -32.5543 36.3426 -27.497 -53.1009 TIMING: 3438200 CPU: 10349.8, 0.0030034/step Wall: 10349.8, 0.0030034/step, 1.30298 hours remaining, 208.121094 MB of memory in use. ENERGY: 3438200 759.0761 2059.9865 1936.3494 112.3704 -206431.9878 18030.0559 0.0000 0.0000 34168.4435 -149365.7061 298.4015 -183534.1496 -149276.1987 298.6916 157.7982 190.7728 557144.3350 10.9788 10.8890 PRESSURE: 3438400 144.275 67.2039 74.2642 67.2044 -146.933 -114.315 74.2644 -114.316 -299.524 GPRESSURE: 3438400 156.694 61.6509 47.4884 57.2088 -137.54 -102.069 114.541 -38.2612 -225.835 PRESSAVG: 3438400 28.131 19.3898 52.4711 19.3898 61.8763 16.8486 52.4711 16.8485 -61.5566 GPRESSAVG: 3438400 28.3485 20.1953 52.7578 20.5808 60.6267 18.2657 49.9671 13.1826 -59.9323 TIMING: 3438400 CPU: 10350.4, 0.00298742/step Wall: 10350.4, 0.00298742/step, 1.29588 hours remaining, 208.121094 MB of memory in use. ENERGY: 3438400 712.5195 2103.5789 1966.1695 115.8922 -205956.4250 17643.0547 0.0000 0.0000 34302.3320 -149112.8783 299.5708 -183415.2103 -149019.0635 299.9671 -100.7273 -68.8935 557593.3659 9.4836 9.6810 PRESSURE: 3438600 57.4563 24.5374 -54.592 24.5385 106.984 131.316 -54.5914 131.316 109.858 GPRESSURE: 3438600 99.1414 -12.103 -83.097 95.1803 141.077 122.375 -63.9908 133.329 131.632 PRESSAVG: 3438600 30.109 25.7715 82.621 25.7715 -37.8197 74.7848 82.621 74.7848 1.54042 GPRESSAVG: 3438600 29.9193 25.9536 83.1026 23.0582 -35.9135 75.0283 83.4702 77.5032 -0.0666067 TIMING: 3438600 CPU: 10351, 0.00297852/step Wall: 10351, 0.00297852/step, 1.29185 hours remaining, 208.121094 MB of memory in use. ENERGY: 3438600 757.7465 2102.2324 1951.9103 111.1615 -206462.8024 18209.6561 0.0000 0.0000 34231.7694 -149098.3261 298.9546 -183330.0956 -149011.3073 299.8849 91.4330 123.9503 559529.1448 -2.0568 -2.0203 PRESSURE: 3438800 148.095 -21.4627 127.299 -21.4622 256.919 68.9357 127.298 68.9358 160.749 GPRESSURE: 3438800 139.141 -4.04929 134.204 29.552 291.252 208.317 71.8912 -78.1331 233.424 PRESSAVG: 3438800 48.5972 -21.5124 27.9275 -21.5124 -57.997 18.7006 27.9276 18.7006 18.3914 GPRESSAVG: 3438800 47.5371 -24.0712 27.3294 -18.1555 -58.7091 18.7216 28.1559 16.8656 20.4328 TIMING: 3438800 CPU: 10351.6, 0.00297968/step Wall: 10351.6, 0.00297968/step, 1.29219 hours remaining, 208.121094 MB of memory in use. ENERGY: 3438800 710.0359 2080.7152 1945.1411 110.8449 -206168.2637 18098.1526 0.0000 0.0000 34203.4518 -149019.9222 298.7073 -183223.3740 -148928.4042 299.2166 188.5877 221.2722 558584.9628 2.9972 3.0870 PRESSURE: 3439000 167.559 104.265 52.6318 104.266 -97.285 18.1789 52.6309 18.1808 -153.976 GPRESSURE: 3439000 201.264 86.3057 -25.1564 140.143 -34.5313 55.4073 49.3477 -10.9715 -165.134 PRESSAVG: 3439000 1.6984 7.29472 -32.3038 7.29467 10.3868 -10.5242 -32.3039 -10.5242 -7.29306 GPRESSAVG: 3439000 1.62135 8.99384 -32.3323 6.16095 11.6709 -10.9289 -30.9634 -11.3143 -9.07033 TIMING: 3439000 CPU: 10352.2, 0.00298759/step Wall: 10352.2, 0.00298759/step, 1.29545 hours remaining, 208.121094 MB of memory in use. ENERGY: 3439000 714.0412 2183.1353 1936.6967 109.9757 -206007.4437 17834.6392 0.0000 0.0000 34319.8366 -148909.1190 299.7237 -183228.9556 -148813.8519 299.5810 -27.9008 0.5329 558705.6621 1.5974 1.4073 PRESSURE: 3439200 89.8067 -41.2609 -192.448 -41.2607 7.17017 -22.6849 -192.447 -22.6834 21.4727 GPRESSURE: 3439200 130.909 -32.8926 -156.803 -51.9485 93.8445 -9.25876 -208.504 -86.2529 -8.17937 PRESSAVG: 3439200 40.4099 9.89508 -14.2045 9.89514 -32.8784 0.0272885 -14.2044 0.0271911 -25.606 GPRESSAVG: 3439200 42.3206 9.16031 -12.4601 9.9134 -34.2358 -1.31311 -15.4447 2.35497 -25.9122 TIMING: 3439200 CPU: 10352.8, 0.00298741/step Wall: 10352.8, 0.00298741/step, 1.29521 hours remaining, 208.121094 MB of memory in use. ENERGY: 3439200 726.1034 2079.3887 1951.3778 105.3709 -205509.0769 17575.8087 0.0000 0.0000 34352.0336 -148718.9938 300.0049 -183071.0274 -148624.4912 300.1436 39.4832 72.1914 556629.0561 -6.0248 -5.9424 PRESSURE: 3439400 11.9414 148.493 117.671 148.493 208.837 -81.426 117.67 -81.4249 164.417 GPRESSURE: 3439400 19.9158 165.152 119.208 88.2489 268.738 -113.779 165.171 -101.852 197.027 PRESSAVG: 3439400 -55.3263 5.4183 -39.4884 5.41832 9.06002 -9.35799 -39.4884 -9.35795 25.6873 GPRESSAVG: 3439400 -56.2799 7.2322 -41.3448 4.19583 8.8122 -7.19806 -40.078 -8.25245 27.0901 TIMING: 3439400 CPU: 10353.4, 0.00299051/step Wall: 10353.4, 0.00299051/step, 1.29639 hours remaining, 208.121094 MB of memory in use. ENERGY: 3439400 739.5846 2052.1261 1959.3806 106.8700 -206144.5089 17795.8426 0.0000 0.0000 34657.2864 -148833.4186 302.6707 -183490.7050 -148736.6616 300.2734 128.3988 161.8934 556653.7304 -6.8597 -6.7925 PRESSURE: 3439600 166.963 114.807 112.703 114.808 -80.8237 -69.56 112.702 -69.5589 -181.998 GPRESSURE: 3439600 198.591 59.8582 103.511 63.4738 -17.5899 -136.971 16.5445 -54.6589 -175.778 PRESSAVG: 3439600 -20.6986 -15.9869 -37.0571 -15.9868 81.1451 4.06935 -37.0571 4.06946 -33.5174 GPRESSAVG: 3439600 -21.153 -16.2428 -37.7101 -15.4442 82.6786 3.81707 -37.97 3.67928 -35.2562 TIMING: 3439600 CPU: 10354, 0.00298236/step Wall: 10354, 0.00298236/step, 1.29269 hours remaining, 208.121094 MB of memory in use. ENERGY: 3439600 765.1510 2033.6634 1922.0450 102.7798 -205753.5128 17785.5327 0.0000 0.0000 34291.2396 -148853.1013 299.4739 -183144.3409 -148747.5853 300.7006 -31.9530 1.7408 557210.2045 8.9764 8.7565 PRESSURE: 3439800 -87.0968 -42.0415 2.08481 -42.04 129.739 -110.633 2.08474 -110.635 104.271 GPRESSURE: 3439800 -33.6981 -61.1627 22.7691 -46.3387 172.894 -98.3742 -48.0022 -19.2167 102.641 PRESSAVG: 3439800 -40.8623 18.3835 -33.1686 18.3834 97.7611 8.48006 -33.1685 8.47999 -40.747 GPRESSAVG: 3439800 -41.6833 16.5891 -31.1035 18.9207 97.4325 7.8819 -33.3593 7.95684 -40.2874 TIMING: 3439800 CPU: 10354.6, 0.00299518/step Wall: 10354.6, 0.00299518/step, 1.29808 hours remaining, 208.121094 MB of memory in use. ENERGY: 3439800 734.0841 2052.0023 1963.2740 114.9856 -205680.7264 17530.8677 0.0000 0.0000 34463.6969 -148821.8158 300.9800 -183285.5127 -148729.3227 300.2574 48.9710 80.6123 557011.5515 5.3840 5.1540 PRESSURE: 3440000 -152.639 145.624 -153.758 145.624 -169.87 -63.2247 -153.757 -63.2248 120.267 GPRESSURE: 3440000 -109.51 192.045 -210.385 83.1568 -157.746 -95.6829 -134.113 -18.9437 168.731 PRESSAVG: 3440000 16.7528 66.1949 -20.0425 66.1949 -20.8089 14.3863 -20.0425 14.3863 -6.22903 GPRESSAVG: 3440000 18.2941 70.0122 -21.1554 66.0472 -21.7746 15.7076 -19.7481 12.5084 -6.48131 TIMING: 3440000 CPU: 10355.2, 0.00298332/step Wall: 10355.2, 0.00298332/step, 1.29277 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: 3440000 774.2497 2024.1245 1961.8193 114.7052 -205822.7937 17654.6595 0.0000 0.0000 34490.0068 -148803.2287 301.2098 -183293.2355 -148705.6708 301.0833 -67.4140 -32.8416 556921.6044 -3.4284 -3.3206 PRESSURE: 3440200 -95.4958 -44.3888 -0.793062 -44.3896 -49.8544 -142.841 -0.793378 -142.843 -103.8 GPRESSURE: 3440200 -49.6222 -4.0349 -17.9585 -170.739 -9.29039 -248.555 -50.4214 -45.8075 -99.0834 PRESSAVG: 3440200 31.5256 12.9458 -15.3903 12.9459 -44.372 -14.1256 -15.3903 -14.1255 5.86221 GPRESSAVG: 3440200 29.9178 11.557 -14.0027 11.74 -42.5835 -15.683 -13.6988 -12.0736 5.34871 TIMING: 3440200 CPU: 10355.8, 0.00297381/step Wall: 10355.8, 0.00297381/step, 1.28849 hours remaining, 208.121094 MB of memory in use. ENERGY: 3440200 770.4812 2071.9658 1921.0503 132.0102 -205736.8233 17474.9502 0.0000 0.0000 34438.1251 -148928.2405 300.7567 -183366.3656 -148828.9795 301.0094 -83.0500 -52.6653 556952.9538 -2.3281 -2.4390 LDB: ============= START OF LOAD BALANCING ============== 10359.3 LDB: ============== END OF LOAD BALANCING =============== 10359.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10359.3 LDB: ============= START OF LOAD BALANCING ============== 10359.6 LDB: Largest compute 4773 load 0.028515 is 24.1% of average load 0.118205 LDB: Average compute 0.001720 is 1.5% of average load 0.118205 LDB: TIME 10359.6 LOAD: AVG 0.118205 MAX 0.205125 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.715 MB LDB: TIME 10359.6 LOAD: AVG 0.118205 MAX 0.205125 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.918 MB LDB: TIME 10359.6 LOAD: AVG 0.118205 MAX 0.205125 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.918 MB LDB: ============== END OF LOAD BALANCING =============== 10359.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10359.6 PRESSURE: 3440400 116.405 18.8988 -46.503 18.8985 10.0529 135.964 -46.503 135.964 -191.061 GPRESSURE: 3440400 158.717 2.05414 -10.3101 19.895 22.7383 170.827 -98.8803 191.144 -144.065 PRESSAVG: 3440400 88.0735 30.9728 -36.4739 30.9729 -32.1232 55.8172 -36.4739 55.8172 -41.6735 GPRESSAVG: 3440400 89.9037 30.6895 -35.618 30.9692 -33.649 54.2024 -39.9321 55.4047 -42.3126 TIMING: 3440400 CPU: 10356.4, 0.00302334/step Wall: 10356.4, 0.00302334/step, 1.30978 hours remaining, 209.906250 MB of memory in use. ENERGY: 3440400 737.0704 2109.4907 1937.9630 103.9487 -206269.9684 17735.0537 0.0000 0.0000 34505.4693 -149140.9725 301.3448 -183646.4418 -149038.9509 299.7251 -21.5342 12.4634 555301.4265 4.7589 4.6473 PRESSURE: 3440600 3.12208 117.778 112.79 117.778 123.062 56.7407 112.79 56.7421 -264.765 GPRESSURE: 3440600 11.1281 36.4164 68.8329 188.434 176.544 98.9935 98.7997 91.3305 -241.303 PRESSAVG: 3440600 30.7749 15.3726 -42.2477 15.3727 -47.6644 72.9854 -42.2477 72.9854 -18.4973 GPRESSAVG: 3440600 29.5744 15.4286 -42.8782 16.9865 -47.076 74.8652 -42.5149 71.1916 -17.5743 TIMING: 3440600 CPU: 10357, 0.00296433/step Wall: 10357, 0.00296433/step, 1.28405 hours remaining, 209.976562 MB of memory in use. ENERGY: 3440600 790.1984 2023.4251 1927.0558 114.4638 -205880.2923 17787.3564 0.0000 0.0000 34144.1997 -149093.5932 298.1898 -183237.7929 -148989.8570 299.4751 -46.1936 -17.8769 557689.6883 -11.7956 -11.6920 PRESSURE: 3440800 -152.273 -230.374 19.7722 -230.375 -21.7109 -232.379 19.7723 -232.38 -165.809 GPRESSURE: 3440800 -159.293 -221.161 -0.529908 -198.301 29.807 -288.044 95.6912 -205.753 -104.145 PRESSAVG: 3440800 41.7461 3.1659 -5.56806 3.16582 59.8314 -23.5049 -5.56802 -23.5049 -22.1221 GPRESSAVG: 3440800 42.5068 2.82794 -6.67715 1.88382 58.3241 -23.0798 -4.12466 -21.3056 -22.1134 TIMING: 3440800 CPU: 10357.6, 0.0029453/step Wall: 10357.6, 0.0029453/step, 1.27564 hours remaining, 210.335938 MB of memory in use. ENERGY: 3440800 742.8630 2107.9646 1940.2431 102.9364 -205926.2460 17619.4257 0.0000 0.0000 34334.6206 -149078.1925 299.8528 -183412.8131 -148976.8755 299.5777 -113.2642 -77.8772 557257.1834 26.4851 26.2391 PRESSURE: 3441000 53.9238 13.5779 -112.891 13.5778 -191.254 -47.1372 -112.891 -47.1368 -128.416 GPRESSURE: 3441000 86.2066 19.474 -86.4045 -42.868 -184.152 40.3951 -50.055 -136.714 -72.1641 PRESSAVG: 3441000 29.0724 -55.9255 -13.4457 -55.9255 -49.5197 -22.1306 -13.4456 -22.1305 5.75724 GPRESSAVG: 3441000 29.2511 -56.3036 -13.6808 -54.8338 -48.1473 -23.113 -13.1763 -22.7334 4.01877 TIMING: 3441000 CPU: 10358.2, 0.00298182/step Wall: 10358.2, 0.00298182/step, 1.29129 hours remaining, 210.335938 MB of memory in use. ENERGY: 3441000 716.7483 2106.1577 1936.9828 106.6029 -206145.2396 17835.6788 0.0000 0.0000 34273.9993 -149169.0697 299.3234 -183443.0690 -149077.9468 299.6088 -88.5821 -56.7031 558809.2242 -4.8967 -4.9591 PRESSURE: 3441200 -125.072 96.2103 -92.0331 96.2099 -199.573 143.352 -92.0341 143.352 -124.734 GPRESSURE: 3441200 -85.3544 105.947 -283.96 121.815 -136.068 170.736 -0.470403 131.911 -145.306 PRESSAVG: 3441200 -12.1564 11.3792 44.5145 11.3792 -22.5226 -15.6031 44.5145 -15.603 16.0745 GPRESSAVG: 3441200 -11.6661 11.349 45.0485 11.1266 -22.6263 -14.6676 43.1987 -16.8028 15.8536 TIMING: 3441200 CPU: 10358.7, 0.00294208/step Wall: 10358.7, 0.00294208/step, 1.27392 hours remaining, 210.335938 MB of memory in use. ENERGY: 3441200 760.2696 2146.9741 1930.5065 115.0286 -205797.9536 17516.4085 0.0000 0.0000 34311.1840 -149017.5823 299.6481 -183328.7663 -148925.1946 299.4472 -149.7932 -122.2428 557936.9949 -6.2015 -6.1463 PRESSURE: 3441400 46.3099 24.7139 21.6396 24.7127 -99.632 75.8355 21.6388 75.8361 -0.432961 GPRESSURE: 3441400 67.4979 -23.8576 54.9418 -28.5454 -56.129 57.1428 -11.5943 134.81 37.5865 PRESSAVG: 3441400 -9.02732 14.3062 30.8275 14.3061 -13.8216 -28.7923 30.8276 -28.7923 30.9397 GPRESSAVG: 3441400 -9.77474 15.9025 31.5096 13.9353 -13.8747 -31.2036 31.3479 -28.56 31.9421 TIMING: 3441400 CPU: 10359.3, 0.00293894/step Wall: 10359.3, 0.00293894/step, 1.2724 hours remaining, 210.335938 MB of memory in use. ENERGY: 3441400 741.8349 2073.7030 1925.8904 97.7085 -206173.0468 17758.8479 0.0000 0.0000 34417.4597 -149157.6022 300.5762 -183575.0619 -149060.8305 299.8969 -17.9183 16.3184 556732.1944 2.6969 2.7642 PRESSURE: 3441600 -33.7805 42.1552 103.442 42.1554 204.185 7.00948 103.441 7.00949 40.2388 GPRESSURE: 3441600 -39.3727 57.1148 15.6964 -51.6962 302.998 24.9304 148.842 51.9643 44.4366 PRESSAVG: 3441600 -42.2071 22.943 -12.8547 22.943 63.2746 2.18389 -12.8549 2.18388 -23.7689 GPRESSAVG: 3441600 -42.6712 21.5949 -13.9218 22.5312 63.2192 1.86862 -13.9602 3.58125 -22.6963 TIMING: 3441600 CPU: 10359.9, 0.00298457/step Wall: 10359.9, 0.00298457/step, 1.29199 hours remaining, 210.335938 MB of memory in use. ENERGY: 3441600 710.6319 2089.6695 1961.6896 111.2064 -206309.0721 18035.6640 0.0000 0.0000 34242.7896 -149157.4211 299.0508 -183400.2107 -149058.0314 299.2931 70.2143 102.6874 558465.8576 -0.9005 -0.7161 PRESSURE: 3441800 -58.6881 -11.3388 -29.3262 -11.3389 -70.2671 11.5669 -29.3259 11.5685 6.16289 GPRESSURE: 3441800 -52.5847 61.16 -4.36763 -24.6596 -20.7753 -76.2682 -73.2078 2.78432 54.9292 PRESSAVG: 3441800 -22.3285 -12.0933 18.5093 -12.0933 34.2348 -43.7935 18.5092 -43.7934 9.10112 GPRESSAVG: 3441800 -21.4689 -13.5439 19.4218 -12.3222 33.6556 -43.701 21.3002 -43.3847 8.47961 TIMING: 3441800 CPU: 10360.5, 0.00296093/step Wall: 10360.5, 0.00296093/step, 1.28159 hours remaining, 210.335938 MB of memory in use. ENERGY: 3441800 784.9041 2097.6063 1897.9506 108.9352 -205982.3162 17788.9869 0.0000 0.0000 34141.2153 -149162.7178 298.1637 -183303.9331 -149067.3117 298.8624 -40.9308 -6.1436 558108.9324 7.0025 6.8887 PRESSURE: 3442000 172.401 34.1932 -83.7919 34.1944 -144.889 -96.1369 -83.7919 -96.1371 -27.8565 GPRESSURE: 3442000 171.752 26.5834 -147.649 68.2027 -117.288 -74.3485 -31.0876 -9.71811 39.4744 PRESSAVG: 3442000 1.78917 -33.9541 -36.6188 -33.9541 -18.8946 21.0166 -36.6188 21.0167 0.646293 GPRESSAVG: 3442000 1.21616 -32.6165 -38.7613 -33.4886 -18.144 23.3575 -36.0835 20.9217 0.305205 TIMING: 3442000 CPU: 10361.1, 0.00295719/step Wall: 10361.1, 0.00295719/step, 1.27981 hours remaining, 210.335938 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: 3442000 747.4081 2148.3939 1896.5997 129.6718 -206160.9356 17896.4550 0.0000 0.0000 34314.9967 -149027.4104 299.6814 -183342.4071 -148933.5959 299.7636 -0.1146 31.3128 558371.7088 -5.4864 -5.5409 PRESSURE: 3442200 -190.6 -19.4216 51.7414 -19.4221 -215.134 -115.679 51.7428 -115.68 51.4923 GPRESSURE: 3442200 -200.396 13.8375 63.2787 -12.3808 -176.359 -97.2943 140.048 -150.433 107.946 PRESSAVG: 3442200 -5.72618 26.2713 -2.66375 26.2713 3.00069 -20.4793 -2.66364 -20.4793 6.28336 GPRESSAVG: 3442200 -5.4978 28.1655 1.4361 25.1529 4.37014 -23.4697 -4.99704 -21.6914 5.35723 TIMING: 3442200 CPU: 10361.7, 0.00296837/step Wall: 10361.7, 0.00296837/step, 1.28448 hours remaining, 210.335938 MB of memory in use. ENERGY: 3442200 751.0202 2093.3675 1951.0460 110.3572 -206017.5163 17672.6279 0.0000 0.0000 34598.6995 -148840.3980 302.1590 -183439.0975 -148742.3056 299.9840 -118.0807 -89.6029 559732.8867 1.1860 1.4099 PRESSURE: 3442400 -111.841 -6.45926 -13.4232 -6.45964 -166.742 -224.606 -13.4234 -224.606 59.0852 GPRESSURE: 3442400 10.7119 -8.98487 17.1402 -91.2375 -172.338 -196.033 -11.7163 -185.604 44.9329 PRESSAVG: 3442400 11.5683 38.1635 3.39145 38.1634 -66.9772 -14.1639 3.39153 -14.1638 17.8894 GPRESSAVG: 3442400 11.3593 36.7104 1.86152 39.3886 -68.6152 -12.3307 3.59799 -15.5214 19.8075 TIMING: 3442400 CPU: 10362.3, 0.00296346/step Wall: 10362.3, 0.00296346/step, 1.28219 hours remaining, 210.335938 MB of memory in use. ENERGY: 3442400 715.6070 2070.8852 1970.1896 120.7344 -205586.7278 17601.9778 0.0000 0.0000 34222.2643 -148885.0696 298.8715 -183107.3339 -148789.3934 300.2559 -73.1660 -38.8978 559325.7697 -12.5065 -12.4828 PRESSURE: 3442600 -75.7094 -104.575 98.3104 -104.575 -101.92 29.1175 98.3095 29.1159 -21.4824 GPRESSURE: 3442600 -41.491 -128.431 170.774 -92.0248 -91.2999 62.2345 72.3905 -8.61456 29.604 PRESSAVG: 3442600 12.6389 10.3769 18.9061 10.3769 -45.1652 5.80202 18.9062 5.80194 23.7631 GPRESSAVG: 3442600 13.0672 9.19155 17.0394 10.9286 -45.4721 5.22011 19.7567 5.90352 23.3422 TIMING: 3442600 CPU: 10362.9, 0.0029753/step Wall: 10362.9, 0.0029753/step, 1.28715 hours remaining, 210.335938 MB of memory in use. ENERGY: 3442600 765.0094 2134.0157 1932.3981 106.3154 -206072.0463 17811.5985 0.0000 0.0000 34354.2218 -148968.4873 300.0240 -183322.7090 -148873.5266 300.0943 -66.3706 -34.3956 559012.6859 -2.9211 -3.0209 PRESSURE: 3442800 -153.651 -3.63998 -35.598 -3.63972 43.123 -38.1328 -35.5979 -38.1329 -185.918 GPRESSURE: 3442800 -109.963 56.8713 61.0388 13.413 89.099 -72.6208 2.66616 -54.6684 -171.21 PRESSAVG: 3442800 87.6364 -8.46141 44.6767 -8.46131 -46.6637 -40.9396 44.6767 -40.9395 -10.1421 GPRESSAVG: 3442800 87.3752 -6.82998 43.7598 -8.25924 -45.3195 -40.1599 45.1393 -40.5229 -10.4581 TIMING: 3442800 CPU: 10363.5, 0.00296017/step Wall: 10363.5, 0.00296017/step, 1.28044 hours remaining, 210.335938 MB of memory in use. ENERGY: 3442800 723.3597 2040.9585 1980.6321 116.2093 -205867.4097 17584.8838 0.0000 0.0000 34425.0977 -148996.2686 300.6429 -183421.3663 -148903.3622 299.9493 -98.8152 -64.0248 558371.1767 10.2769 10.5325 PRESSURE: 3443000 -471.073 -117.865 -67.546 -117.864 -137.886 -82.0426 -67.5464 -82.0436 -371.932 GPRESSURE: 3443000 -441.391 -205.05 0.0346389 -85.5972 -130.608 -111.972 -115.183 -33.4538 -309.323 PRESSAVG: 3443000 9.23985 43.3221 9.33858 43.3221 23.9218 -52.9695 9.33851 -52.9695 -35.1671 GPRESSAVG: 3443000 10.3565 41.3908 11.3855 43.524 22.6406 -51.0973 8.89485 -52.3247 -34.6682 TIMING: 3443000 CPU: 10364.1, 0.00299031/step Wall: 10364.1, 0.00299031/step, 1.29331 hours remaining, 210.335938 MB of memory in use. ENERGY: 3443000 746.8999 2093.8009 1921.1787 109.5666 -205308.9370 17383.2617 0.0000 0.0000 34024.1641 -149030.0652 297.1415 -183054.2293 -148941.5957 300.0763 -326.9637 -293.7741 560179.4755 -0.6685 -0.5570 PRESSURE: 3443200 296.029 -136.176 30.4136 -136.177 257.74 -129.987 30.4134 -129.988 -73.2078 GPRESSURE: 3443200 352.327 -132.445 53.0466 -53.5433 291.388 -155.492 -46.5557 -95.4741 -62.5998 PRESSAVG: 3443200 -15.6557 47.1508 -7.79353 47.1509 -39.5672 -32.2377 -7.79343 -32.2377 28.0237 GPRESSAVG: 3443200 -16.1596 48.3964 -7.62617 45.9311 -38.2051 -33.389 -8.0268 -32.6154 27.7272 TIMING: 3443200 CPU: 10364.7, 0.00297676/step Wall: 10364.7, 0.00297676/step, 1.28728 hours remaining, 210.335938 MB of memory in use. ENERGY: 3443200 737.8916 1998.2025 1926.8119 105.2897 -206272.0774 18056.9683 0.0000 0.0000 34352.8547 -149094.0586 300.0120 -183446.9133 -148996.1746 299.2032 160.1869 193.7051 558797.6220 -9.0664 -8.8792 PRESSURE: 3443400 255.68 -74.5884 -18.5878 -74.5878 181.171 -190.671 -18.5875 -190.67 127.623 GPRESSURE: 3443400 299.765 -39.6227 32.8293 -58.4138 281.391 -168.282 -127.083 -195.172 82.2559 PRESSAVG: 3443400 -11.179 36.0309 54.7213 36.0309 59.9824 -31.7404 54.7213 -31.7404 -19.6266 GPRESSAVG: 3443400 -11.2136 36.6754 53.9359 35.983 59.9706 -32.2542 53.3526 -30.2456 -19.6124 TIMING: 3443400 CPU: 10365.3, 0.00297357/step Wall: 10365.3, 0.00297357/step, 1.28574 hours remaining, 210.335938 MB of memory in use. ENERGY: 3443400 720.4934 2055.7642 1939.3686 105.0451 -206256.8665 18096.7659 0.0000 0.0000 34242.0717 -149097.3578 299.0445 -183339.4295 -149003.7243 299.1863 188.1577 221.1373 558815.5503 9.7256 9.7148 PRESSURE: 3443600 72.6666 120.246 75.077 120.246 54.5055 45.8098 75.0791 45.8117 -63.14 GPRESSURE: 3443600 104.086 41.2958 49.5171 144.146 106.429 153.535 25.791 -27.8636 -65.4957 PRESSAVG: 3443600 54.8648 8.91266 19.2097 8.91272 -37.2697 -14.2517 19.2097 -14.2518 -5.80798 GPRESSAVG: 3443600 55.9639 9.35262 19.6803 10.4724 -37.6211 -12.2305 20.4536 -17.356 -5.76856 TIMING: 3443600 CPU: 10365.9, 0.00296959/step Wall: 10365.9, 0.00296959/step, 1.28385 hours remaining, 210.335938 MB of memory in use. ENERGY: 3443600 752.9157 2080.3468 1932.2191 116.4000 -206458.3628 18053.4442 0.0000 0.0000 34419.3749 -149103.6622 300.5930 -183523.0371 -149005.1126 299.0619 21.3440 48.3399 557587.0227 3.9291 4.1914 PRESSURE: 3443800 -85.9296 -1.87687 30.3835 -1.87666 144.293 -87.5041 30.3822 -87.5056 41.5731 GPRESSURE: 3443800 -24.9304 -19.4475 -22.5219 -42.6541 158.078 -87.1446 39.1857 -89.7022 59.0077 PRESSAVG: 3443800 12.2686 13.2969 41.6919 13.297 0.969697 46.6414 41.6919 46.6414 17.1653 GPRESSAVG: 3443800 10.6712 13.5242 42.0124 12.1348 1.70233 44.4743 44.2534 48.9258 17.8637 TIMING: 3443800 CPU: 10366.5, 0.00295706/step Wall: 10366.5, 0.00295706/step, 1.27827 hours remaining, 210.335938 MB of memory in use. ENERGY: 3443800 729.2975 2060.5648 1938.6611 118.7582 -205732.6248 17698.1664 0.0000 0.0000 34180.7765 -149006.4003 298.5092 -183187.1768 -148909.4824 299.6388 33.3121 64.0519 558536.2206 10.1345 10.0791 PRESSURE: 3444000 -23.8674 81.6161 237.495 81.6159 -121.717 -71.9618 237.496 -71.9607 59.4388 GPRESSURE: 3444000 -24.4951 24.8185 224.843 129.275 -74.3728 -55.2192 248.693 -60.7002 98.674 PRESSAVG: 3444000 -3.20642 45.3109 63.7497 45.3109 -18.6708 41.0883 63.7496 41.0884 -3.53646 GPRESSAVG: 3444000 -3.27656 45.7935 61.9488 44.9703 -18.6301 44.483 62.9207 41.5082 -3.22887 TIMING: 3444000 CPU: 10367.1, 0.0029785/step Wall: 10367.1, 0.0029785/step, 1.28737 hours remaining, 210.335938 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: 3444000 750.2247 2095.0246 1943.3826 122.3451 -206097.9767 17615.8913 0.0000 0.0000 34473.8340 -149097.2745 301.0686 -183571.1085 -148999.2481 299.7056 -28.7151 -0.0646 555709.8134 -8.4712 -8.3785 PRESSURE: 3444200 -148.882 -15.1312 -33.2023 -15.132 -42.3903 60.7436 -33.203 60.7444 -65.9429 GPRESSURE: 3444200 -90.4852 21.5802 -12.2343 78.586 -52.9617 78.815 -109.193 144.513 -14.9707 PRESSAVG: 3444200 30.0616 -23.9137 28.1072 -23.9137 30.8684 28.5902 28.1072 28.5902 -20.3433 GPRESSAVG: 3444200 30.77 -24.8742 31.0128 -23.1051 29.8879 24.7384 26.6497 28.7866 -20.6952 TIMING: 3444200 CPU: 10367.7, 0.00297369/step Wall: 10367.7, 0.00297369/step, 1.28513 hours remaining, 210.335938 MB of memory in use. ENERGY: 3444200 763.2105 2102.9438 1912.1209 109.9380 -206244.9845 17802.2801 0.0000 0.0000 34433.3715 -149121.1197 300.7152 -183554.4912 -149028.8936 299.9407 -85.7383 -52.8059 557262.4090 13.5289 13.3209 LDB: ============= START OF LOAD BALANCING ============== 10371.2 LDB: ============== END OF LOAD BALANCING =============== 10371.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10371.2 LDB: ============= START OF LOAD BALANCING ============== 10371.5 LDB: Largest compute 4773 load 0.030638 is 25.9% of average load 0.118186 LDB: Average compute 0.001714 is 1.5% of average load 0.118186 LDB: TIME 10371.5 LOAD: AVG 0.118186 MAX 0.203935 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.324 MB LDB: TIME 10371.5 LOAD: AVG 0.118186 MAX 0.203935 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.324 MB LDB: TIME 10371.5 LOAD: AVG 0.118186 MAX 0.203935 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.324 MB LDB: ============== END OF LOAD BALANCING =============== 10371.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10371.5 PRESSURE: 3444400 -237.823 -61.2356 -48.8074 -61.2345 -64.8076 -67.1676 -48.8077 -67.1671 67.2556 GPRESSURE: 3444400 -175.167 -23.6155 -15.7809 -71.0529 -98.5389 -133.219 -87.0907 -26.7824 139.483 PRESSAVG: 3444400 -28.0554 29.4007 -11.4193 29.4007 14.7794 -14.848 -11.4192 -14.8481 50.4134 GPRESSAVG: 3444400 -27.5471 28.2287 -13.3239 28.9516 14.5128 -11.8802 -11.1863 -15.4458 50.7356 TIMING: 3444400 CPU: 10368.3, 0.00301013/step Wall: 10368.3, 0.00301013/step, 1.30071 hours remaining, 210.480469 MB of memory in use. ENERGY: 3444400 738.8755 2034.2288 1931.8584 114.9125 -206006.7285 17785.3704 0.0000 0.0000 34193.8582 -149207.6247 298.6235 -183401.4829 -149115.5287 299.0805 -78.4583 -44.7410 557588.8713 12.3791 12.5671 PRESSURE: 3444600 -188.724 149.63 104.27 149.629 -265.133 86.5238 104.269 86.5233 -63.0043 GPRESSURE: 3444600 -112.083 191.735 62.7996 97.088 -193.28 37.6348 85.3725 124.585 -104.769 PRESSAVG: 3444600 -41.5233 22.9925 2.59745 22.9925 5.49117 -19.9668 2.5974 -19.9668 47.7165 GPRESSAVG: 3444600 -42.2391 22.7322 3.88908 23.3479 6.30388 -20.6376 3.64057 -20.2436 47.3983 TIMING: 3444600 CPU: 10368.9, 0.0029662/step Wall: 10368.9, 0.0029662/step, 1.28156 hours remaining, 210.941406 MB of memory in use. ENERGY: 3444600 745.2923 2080.9817 1934.1038 102.1624 -205836.1840 17517.5529 0.0000 0.0000 34238.9740 -149217.1168 299.0175 -183456.0908 -149114.9714 298.9598 -172.2869 -136.7108 558970.3665 3.8948 3.8210 PRESSURE: 3444800 111.697 20.0694 69.6119 20.0697 78.9229 -138.152 69.6119 -138.15 -92.5983 GPRESSURE: 3444800 161.81 13.158 29.8625 54.9194 67.5707 -148.245 148.504 -148.174 -24.7699 PRESSAVG: 3444800 5.86767 -4.41092 0.962895 -4.41101 -17.7655 -30.2894 0.962805 -30.2895 -6.00115 GPRESSAVG: 3444800 5.1364 -3.84604 1.23651 -2.94857 -18.7316 -31.8982 0.520181 -29.7835 -4.68423 TIMING: 3444800 CPU: 10369.4, 0.00296573/step Wall: 10369.4, 0.00296572/step, 1.28119 hours remaining, 210.941406 MB of memory in use. ENERGY: 3444800 752.0661 2099.9089 1923.8982 118.6083 -206125.1684 17770.4328 0.0000 0.0000 34186.2726 -149273.9815 298.5572 -183460.2541 -149180.8011 299.8614 32.6739 68.2035 557831.3741 -5.9663 -6.0931 PRESSURE: 3445000 -163.808 70.446 -43.8696 70.447 1.20058 37.1128 -43.8708 37.1135 -100.638 GPRESSURE: 3445000 -157.207 91.0167 -70.076 71.7919 13.7289 6.80924 -18.0663 -17.2838 -10.3864 PRESSAVG: 3445000 -29.1512 1.41872 37.0384 1.4186 -22.6682 -11.5475 37.0384 -11.5476 30.6604 GPRESSAVG: 3445000 -29.295 0.829734 36.2986 0.0392236 -21.7533 -11.5574 37.1681 -11.6955 29.9408 TIMING: 3445000 CPU: 10370, 0.00299418/step Wall: 10370, 0.00299418/step, 1.29332 hours remaining, 210.941406 MB of memory in use. ENERGY: 3445000 745.4327 2072.3457 1918.5953 123.4913 -206048.4107 17620.4587 0.0000 0.0000 34455.0107 -149113.0765 300.9042 -183568.0871 -149012.0410 299.2149 -87.7482 -51.2881 557027.3110 -7.0530 -7.0358 PRESSURE: 3445200 -226.069 -40.773 123.378 -40.7721 110.473 3.3849 123.378 3.38311 -128.955 GPRESSURE: 3445200 -203.754 21.4145 37.8369 -77.3263 125.725 -10.2972 190.635 30.334 -82.0926 PRESSAVG: 3445200 -46.6818 -32.1003 62.0341 -32.1003 -0.504673 -30.3331 62.0341 -30.333 20.2354 GPRESSAVG: 3445200 -45.461 -33.768 63.6221 -30.4587 -0.873317 -28.8538 59.9526 -29.5543 19.7298 TIMING: 3445200 CPU: 10370.6, 0.00299506/step Wall: 10370.6, 0.00299506/step, 1.29353 hours remaining, 210.941406 MB of memory in use. ENERGY: 3445200 756.5849 2146.7785 1927.4376 114.1374 -206006.1032 17614.8852 0.0000 0.0000 34297.6013 -149148.6782 299.5295 -183446.2795 -149058.5420 299.8444 -81.5170 -53.3738 557100.6473 -8.9837 -8.8682 PRESSURE: 3445400 2.3701 34.9372 -11.3546 34.9378 -194.107 -22.5824 -11.354 -22.5843 -37.8255 GPRESSURE: 3445400 -2.95592 1.22753 -41.6644 39.3286 -101.822 -62.2006 24.3575 113.523 -29.387 PRESSAVG: 3445400 -12.2441 -3.75216 -20.3288 -3.75216 -29.6827 -7.55796 -20.3287 -7.55787 54.3259 GPRESSAVG: 3445400 -13.2702 -1.00254 -21.6341 -5.053 -28.663 -8.23914 -18.9559 -9.94416 54.7157 TIMING: 3445400 CPU: 10371.2, 0.00295037/step Wall: 10371.2, 0.00295037/step, 1.27407 hours remaining, 210.941406 MB of memory in use. ENERGY: 3445400 768.7114 2084.6583 1939.5848 101.1358 -206035.4360 17503.5603 0.0000 0.0000 34312.5576 -149325.2277 299.6601 -183637.7853 -149227.2976 299.5051 -76.5207 -44.7217 555638.3915 4.1330 4.2609 PRESSURE: 3445600 118.626 85.7913 -59.5975 85.7909 72.7135 -94.315 -59.5974 -94.3156 -156.932 GPRESSURE: 3445600 148.78 35.7346 -225.268 75.6527 143.218 -49.1939 103.933 -32.2911 -168.066 PRESSAVG: 3445600 16.2036 1.23378 8.50392 1.23377 -0.197619 20.7605 8.50385 20.7606 -10.3054 GPRESSAVG: 3445600 16.8319 0.988371 8.41981 3.72742 -0.656284 22.0308 9.62591 21.1532 -10.6097 TIMING: 3445600 CPU: 10371.8, 0.00296631/step Wall: 10371.8, 0.00296631/step, 1.28079 hours remaining, 210.941406 MB of memory in use. ENERGY: 3445600 770.7540 2094.0372 1899.6275 112.3705 -206357.4197 17837.5018 0.0000 0.0000 34156.3310 -149486.7976 298.2957 -183643.1286 -149389.4252 298.8431 11.4691 41.3106 555272.8076 1.9002 1.8553 PRESSURE: 3445800 -44.1222 -63.4414 40.0249 -63.4418 -161.91 -93.4681 40.0241 -93.4668 -138.536 GPRESSURE: 3445800 -29.0146 -105.371 58.657 -118.519 -140.62 -140.859 29.2372 -130.056 -73.659 PRESSAVG: 3445800 -51.0659 4.74178 -21.7074 4.74178 -11.7702 -13.4437 -21.7075 -13.4436 32.1286 GPRESSAVG: 3445800 -50.7181 3.85026 -23.2096 2.31443 -11.3299 -14.8711 -21.7972 -12.4349 31.4799 TIMING: 3445800 CPU: 10372.4, 0.00297698/step Wall: 10372.4, 0.00297698/step, 1.28523 hours remaining, 210.941406 MB of memory in use. ENERGY: 3445800 753.4370 2144.1037 1937.0892 123.3555 -206035.8585 17622.8800 0.0000 0.0000 33998.4296 -149456.5635 296.9167 -183454.9931 -149361.4650 297.9583 -114.8560 -81.0980 556694.8158 -10.2358 -10.1893 PRESSURE: 3446000 165.583 5.414 99.8308 5.41427 -9.23385 -57.6535 99.8305 -57.6526 -56.8266 GPRESSURE: 3446000 170.865 8.98735 145.91 -54.4921 19.0097 -72.5287 60.1412 -38.3943 -2.91485 PRESSAVG: 3446000 -4.01355 14.2188 84.7346 14.2188 42.3173 -39.5351 84.7347 -39.5352 -7.74087 GPRESSAVG: 3446000 -4.61176 14.6965 86.9182 14.2282 41.5373 -38.7494 83.7548 -39.4629 -6.25367 TIMING: 3446000 CPU: 10373, 0.00295355/step Wall: 10373, 0.00295355/step, 1.27495 hours remaining, 210.941406 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: 3446000 777.9866 2068.6312 1951.9209 107.2711 -206532.4833 17882.5370 0.0000 0.0000 34162.7451 -149581.3914 298.3517 -183744.1365 -149480.6298 297.8022 33.1743 62.3198 556730.9913 10.1876 10.2239 PRESSURE: 3446200 147.693 -201.735 98.7326 -201.734 -119.759 -27.1765 98.7327 -27.1756 -119.625 GPRESSURE: 3446200 199.335 -152.156 40.705 -271.414 -105.49 35.0639 -8.20469 -87.8048 -88.4757 PRESSAVG: 3446200 13.544 -45.3486 17.4872 -45.3486 8.25796 -40.1975 17.4871 -40.1976 -31.7635 GPRESSAVG: 3446200 13.0629 -44.7235 15.2897 -46.6962 9.80878 -40.0185 18.945 -42.599 -32.6446 TIMING: 3446200 CPU: 10373.6, 0.00299463/step Wall: 10373.6, 0.00299463/step, 1.29251 hours remaining, 210.941406 MB of memory in use. ENERGY: 3446200 771.7297 2058.9439 1940.2369 115.3400 -206086.7795 17682.5499 0.0000 0.0000 34114.1788 -149403.8004 297.9276 -183517.9792 -149310.2420 298.2713 -30.5638 1.7898 556741.2181 -3.3205 -3.2576 PRESSURE: 3446400 50.7262 16.7776 0.40955 16.7786 38.798 -67.3765 0.409571 -67.3767 279.304 GPRESSURE: 3446400 80.9921 27.7336 23.1644 91.2465 91.5189 -71.0536 -76.471 -58.0537 288.516 PRESSAVG: 3446400 37.1401 4.02732 47.6956 4.02729 -27.3103 -39.9902 47.6956 -39.9903 33.9214 GPRESSAVG: 3446400 36.9068 2.46684 48.9406 6.30759 -28.288 -39.4606 47.1545 -37.7275 34.821 TIMING: 3446400 CPU: 10374.2, 0.00299655/step Wall: 10374.2, 0.00299655/step, 1.29318 hours remaining, 210.941406 MB of memory in use. ENERGY: 3446400 756.7671 2092.6822 1939.9725 105.7582 -206150.3605 17873.8117 0.0000 0.0000 34158.1198 -149223.2488 298.3114 -183381.3686 -149128.6592 298.9718 122.9426 153.6758 556828.2824 14.5837 14.4800 PRESSURE: 3446600 123.407 -105.555 -126.329 -105.556 -191.76 -48.4899 -126.329 -48.4902 -170.918 GPRESSURE: 3446600 124.594 -25.8802 -98.204 -146.536 -139.08 -20.6493 -41.1564 -27.7167 -126.613 PRESSAVG: 3446600 7.09676 39.4516 -22.4116 39.4517 42.0433 0.0388694 -22.4116 0.0388468 -40.3661 GPRESSAVG: 3446600 7.3791 40.9756 -20.7625 40.5185 42.3053 -2.19082 -22.9428 1.26923 -40.3564 TIMING: 3446600 CPU: 10374.8, 0.00296996/step Wall: 10374.8, 0.00296996/step, 1.28154 hours remaining, 210.941406 MB of memory in use. ENERGY: 3446600 733.8412 2082.1007 1957.7135 111.4607 -205789.4450 17449.7427 0.0000 0.0000 34217.9832 -149236.6030 298.8342 -183454.5861 -149137.7969 300.2229 -79.7569 -47.0330 556891.1326 2.9247 3.1093 PRESSURE: 3446800 95.5613 206.04 12.7396 206.04 -75.8657 -103.03 12.7406 -103.031 3.62306 GPRESSURE: 3446800 106.901 230.804 -63.5779 217.986 8.29767 -171.651 15.0307 -35.7408 19.4278 PRESSAVG: 3446800 17.6465 15.7181 4.1263 15.7181 -8.04729 21.879 4.12628 21.879 2.42157 GPRESSAVG: 3446800 16.8659 14.4119 1.4975 14.3731 -7.28065 23.4677 4.70288 21.2104 3.0871 TIMING: 3446800 CPU: 10375.4, 0.00296277/step Wall: 10375.4, 0.00296277/step, 1.27827 hours remaining, 211.011719 MB of memory in use. ENERGY: 3446800 735.5270 2107.2825 1948.2489 123.1156 -206374.2107 17918.8145 0.0000 0.0000 34343.7879 -149197.4343 299.9328 -183541.2222 -149099.6916 299.9949 7.7729 44.8756 557326.2266 4.0069 4.2241 PRESSURE: 3447000 77.7687 -8.25598 -125.607 -8.25748 -104.515 107.542 -125.609 107.541 -43.0398 GPRESSURE: 3447000 62.2959 -64.3231 -129.698 96.3728 -72.2474 108.325 -133.825 65.8962 22.6462 PRESSAVG: 3447000 109.89 -13.2305 43.6157 -13.2306 -67.2262 -35.0692 43.6157 -35.0692 5.69391 GPRESSAVG: 3447000 111.197 -11.0284 45.531 -14.0213 -67.4947 -36.6933 42.3298 -35.1192 4.53737 TIMING: 3447000 CPU: 10376, 0.00297902/step Wall: 10376, 0.00297902/step, 1.28511 hours remaining, 211.011719 MB of memory in use. ENERGY: 3447000 722.4839 2100.5036 1963.2107 109.8209 -206114.3739 17818.7243 0.0000 0.0000 34300.0922 -149099.5382 299.5512 -183399.6304 -149001.3364 299.3246 -23.2621 4.2316 557193.7314 16.1192 16.0798 PRESSURE: 3447200 92.8577 161.089 -33.9503 161.089 -146.025 6.75519 -33.9511 6.75405 -23.6665 GPRESSURE: 3447200 131.564 175.318 -46.631 117.026 -120.105 71.0605 21.9571 -70.9644 6.45295 PRESSAVG: 3447200 -39.533 0.126021 -10.154 0.12607 -13.6668 -65.4693 -10.1541 -65.4692 53.3705 GPRESSAVG: 3447200 -39.6328 -1.89321 -9.36759 -0.636388 -13.7071 -63.2189 -9.61378 -66.699 53.3943 TIMING: 3447200 CPU: 10376.6, 0.00299023/step Wall: 10376.6, 0.00299023/step, 1.28978 hours remaining, 211.011719 MB of memory in use. ENERGY: 3447200 777.4465 2060.2725 1943.3654 122.0492 -205996.5348 17738.9711 0.0000 0.0000 34367.1307 -148987.2993 300.1367 -183354.4300 -148892.5832 300.4043 -25.6114 5.9709 555938.4713 0.0569 0.0181 PRESSURE: 3447400 237.115 -66.6621 -104.672 -66.6618 149.657 -31.895 -104.672 -31.893 62.7203 GPRESSURE: 3447400 258.3 -29.99 -80.1904 -82.4772 182.017 -45.353 -81.4321 34.2609 117.484 PRESSAVG: 3447400 23.3981 -15.2031 10.3776 -15.2031 30.5801 0.0924204 10.3777 0.0924639 -39.6989 GPRESSAVG: 3447400 24.8568 -14.0542 8.50737 -13.2194 29.3192 -1.857 12.652 1.08661 -39.6814 TIMING: 3447400 CPU: 10377.2, 0.00298036/step Wall: 10377.2, 0.00298036/step, 1.28536 hours remaining, 211.011719 MB of memory in use. ENERGY: 3447400 705.9960 2110.9929 1968.2885 107.3441 -206358.3754 18001.4387 0.0000 0.0000 34511.9847 -148952.3306 301.4017 -183464.3153 -148849.3122 300.8407 149.8308 185.9334 555912.9519 4.7598 4.8315 PRESSURE: 3447600 81.2928 89.0566 -74.9186 89.0567 -65.5305 -144.887 -74.9192 -144.887 -163.112 GPRESSURE: 3447600 86.1305 4.11695 -22.9489 57.6153 -22.382 -65.3737 -62.0482 -196.63 -115.443 PRESSAVG: 3447600 -8.03723 -19.8886 -9.29823 -19.8886 21.1188 -24.9736 -9.29825 -24.9736 1.41461 GPRESSAVG: 3447600 -10.1712 -21.9578 -8.61067 -20.3807 23.0795 -25.7622 -10.7265 -23.9156 1.3249 TIMING: 3447600 CPU: 10377.8, 0.00301303/step Wall: 10377.8, 0.00301303/step, 1.29929 hours remaining, 211.011719 MB of memory in use. ENERGY: 3447600 755.3599 2126.2980 1930.6535 118.3384 -206122.9624 17816.7783 0.0000 0.0000 34217.2218 -149158.3124 298.8275 -183375.5343 -149066.3794 299.6661 -49.1166 -17.2314 557432.9151 4.8321 4.7444 PRESSURE: 3447800 189.494 10.5649 -76.7507 10.5651 45.8446 17.9803 -76.7489 17.9816 130.558 GPRESSURE: 3447800 261.437 8.27676 -53.1548 9.60744 78.746 47.4156 -12.1554 -22.0731 126.38 PRESSAVG: 3447800 27.9675 25.5726 -42.1777 25.5726 32.6114 -1.43532 -42.1777 -1.43533 -55.1511 GPRESSAVG: 3447800 28.274 26.4757 -41.8352 27.097 31.0522 0.766446 -42.5705 -1.73068 -53.3666 TIMING: 3447800 CPU: 10378.4, 0.00301605/step Wall: 10378.4, 0.00301605/step, 1.30042 hours remaining, 211.011719 MB of memory in use. ENERGY: 3447800 711.7035 2063.9196 1960.3731 119.9899 -206186.1755 17915.4907 0.0000 0.0000 34311.4916 -149103.2072 299.6508 -183414.6987 -149008.6346 299.5385 121.9657 155.5210 556446.4705 1.8093 1.9866 PRESSURE: 3448000 24.9271 -113.09 2.76166 -113.089 -12.9984 -144.609 2.76064 -144.608 268.8 GPRESSURE: 3448000 -9.75086 -81.7779 -37.7351 -184.943 129.791 -107.055 82.2822 -185.804 256.421 PRESSAVG: 3448000 -0.769498 42.3812 -10.5241 42.3812 -44.5097 19.6073 -10.5241 19.6073 46.17 GPRESSAVG: 3448000 0.461099 41.8223 -12.0258 41.2374 -42.9269 20.522 -9.80094 17.769 43.2576 TIMING: 3448000 CPU: 10379, 0.00304081/step Wall: 10379, 0.00304081/step, 1.31093 hours remaining, 211.011719 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: 3448000 773.6276 2130.7774 1950.8748 116.6088 -206403.1982 17801.3250 0.0000 0.0000 34440.1669 -149189.8177 300.7745 -183629.9846 -149101.0571 299.3436 93.5763 125.4869 556991.0588 0.2969 0.2639 PRESSURE: 3448200 -72.3401 -126.828 68.3291 -126.828 -16.4602 -46.9637 68.3293 -46.9643 -89.5709 GPRESSURE: 3448200 -75.5801 -59.7328 26.0952 -116.919 0.681461 -5.8363 25.9206 -102.983 -7.49452 PRESSAVG: 3448200 -44.6741 -2.57079 -19.834 -2.57087 -2.57096 -22.5147 -19.834 -22.5145 34.1479 GPRESSAVG: 3448200 -44.7164 -1.78489 -19.07 -3.17316 -3.35084 -24.5119 -22.1475 -20.711 34.9202 TIMING: 3448200 CPU: 10379.6, 0.00304978/step Wall: 10379.6, 0.00304978/step, 1.31462 hours remaining, 211.011719 MB of memory in use. ENERGY: 3448200 730.7618 2114.4878 1939.9781 114.4061 -205946.3465 17639.0975 0.0000 0.0000 34302.1024 -149105.5130 299.5688 -183407.6153 -149007.8830 299.4824 -59.4571 -27.4644 556808.3245 -4.3657 -4.3823 LDB: ============= START OF LOAD BALANCING ============== 10383.1 LDB: ============== END OF LOAD BALANCING =============== 10383.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10383.1 LDB: ============= START OF LOAD BALANCING ============== 10383.4 LDB: Largest compute 4773 load 0.031209 is 26.4% of average load 0.118206 LDB: Average compute 0.001709 is 1.4% of average load 0.118206 LDB: TIME 10383.4 LOAD: AVG 0.118206 MAX 0.203387 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.121 MB LDB: TIME 10383.4 LOAD: AVG 0.118206 MAX 0.203387 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.324 MB LDB: TIME 10383.4 LOAD: AVG 0.118206 MAX 0.203387 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.324 MB LDB: ============== END OF LOAD BALANCING =============== 10383.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10383.4 PRESSURE: 3448400 -169.737 -77.661 -25.7303 -77.6613 221.033 5.17657 -25.7296 5.17505 94.2243 GPRESSURE: 3448400 -176.838 -130.729 13.0522 48.013 238.171 -29.0124 -63.227 -32.7778 168.644 PRESSAVG: 3448400 -28.234 -78.4512 -2.95957 -78.4512 37.8161 14.6837 -2.95959 14.6838 -13.1571 GPRESSAVG: 3448400 -30.0696 -79.6682 -3.13777 -78.0447 38.1023 14.1422 -2.61089 14.3786 -11.7689 TIMING: 3448400 CPU: 10380.2, 0.00302736/step Wall: 10380.2, 0.00302736/step, 1.30479 hours remaining, 208.429688 MB of memory in use. ENERGY: 3448400 715.2013 2064.1369 1967.5633 114.1601 -205933.9136 17658.9380 0.0000 0.0000 34304.8565 -149109.0576 299.5928 -183413.9141 -149010.3616 299.8949 48.5067 76.6592 557087.5598 -1.1917 -1.2454 PRESSURE: 3448600 157.702 -81.6381 -19.8441 -81.6374 130.87 -58.6822 -19.8429 -58.6821 244.661 GPRESSURE: 3448600 196.649 -18.6476 -38.7811 -115.514 199.245 -45.7553 -121.74 -96.2473 238.474 PRESSAVG: 3448600 31.6529 -73.4634 6.64874 -73.4634 -47.0561 -41.6443 6.64858 -41.6444 25.9393 GPRESSAVG: 3448600 33.4352 -72.2768 7.11806 -73.487 -46.853 -39.676 6.35774 -42.7314 23.6264 TIMING: 3448600 CPU: 10380.8, 0.00297474/step Wall: 10380.8, 0.00297474/step, 1.28195 hours remaining, 208.835938 MB of memory in use. ENERGY: 3448600 747.9230 2074.6101 1966.8292 119.8464 -206102.1978 17913.7379 0.0000 0.0000 34294.9798 -148984.2714 299.5066 -183279.2512 -148881.1484 299.9697 177.7443 211.4560 555501.3826 3.5120 3.4029 PRESSURE: 3448800 90.4805 161.251 -25.3098 161.249 -9.1387 73.0457 -25.3106 73.0464 214.703 GPRESSURE: 3448800 129.654 190.465 -71.9039 214.337 -1.83331 89.0659 44.2716 62.9934 263.267 PRESSAVG: 3448800 33.1016 -27.0537 -39.0461 -27.0536 37.9352 -32.8621 -39.0461 -32.8621 -38.8374 GPRESSAVG: 3448800 32.2925 -28.5471 -39.6596 -24.8861 37.4712 -34.012 -38.6106 -31.5363 -37.1389 TIMING: 3448800 CPU: 10381.4, 0.0029751/step Wall: 10381.4, 0.0029751/step, 1.28194 hours remaining, 208.835938 MB of memory in use. ENERGY: 3448800 713.4337 2074.0663 1951.0266 109.9676 -205918.2980 17703.2570 0.0000 0.0000 34492.8857 -148873.6609 301.2349 -183366.5466 -148767.5842 300.5130 98.6815 130.3625 556995.5199 10.7332 10.8749 PRESSURE: 3449000 196.62 21.0969 -6.79627 21.0978 158.398 84.5286 -6.79646 84.5287 -103.523 GPRESSURE: 3449000 260.899 115.147 19.8373 -13.9622 173.855 72.6896 19.2875 34.391 -88.4683 PRESSAVG: 3449000 11.6187 -28.6282 -15.9048 -28.6283 29.1561 7.4092 -15.9048 7.40911 -42.2728 GPRESSAVG: 3449000 12.7066 -25.7165 -13.6863 -31.4012 28.934 6.97343 -16.3143 7.27101 -42.892 TIMING: 3449000 CPU: 10382, 0.00299622/step Wall: 10382, 0.00299622/step, 1.29087 hours remaining, 208.835938 MB of memory in use. ENERGY: 3449000 720.4465 2146.2061 1939.7443 121.0633 -205895.7791 17783.3104 0.0000 0.0000 34087.1473 -149097.8612 297.6915 -183185.0085 -149006.2019 300.5704 83.8313 115.4283 556260.7037 -0.4993 -0.4171 PRESSURE: 3449200 -134.925 89.6369 -78.5936 89.6357 -0.998423 -81.6975 -78.5936 -81.6994 113.908 GPRESSURE: 3449200 -70.9034 60.7725 -101.55 57.3845 5.48971 -34.0807 -15.4817 -19.9492 122.094 PRESSAVG: 3449200 44.1134 33.9594 -28.6321 33.9593 -18.8415 -17.456 -28.6322 -17.456 19.3934 GPRESSAVG: 3449200 43.1512 34.0174 -29.7402 34.2349 -18.3711 -16.6989 -28.2956 -18.4077 19.8969 TIMING: 3449200 CPU: 10382.6, 0.00297721/step Wall: 10382.6, 0.00297721/step, 1.28252 hours remaining, 208.835938 MB of memory in use. ENERGY: 3449200 735.5068 2071.8648 1932.2224 109.9162 -206017.2689 17712.3655 0.0000 0.0000 34482.0306 -148973.3627 301.1401 -183455.3934 -148881.0522 300.1483 -7.3383 18.8935 556242.7518 14.8884 14.8923 PRESSURE: 3449400 15.1702 8.02071 -37.2839 8.02164 325.559 -93.6094 -37.2822 -93.6089 139.612 GPRESSURE: 3449400 26.9665 140.696 -7.32154 -86.8892 357.34 -170.063 -81.9969 -125.54 195.122 PRESSAVG: 3449400 -44.434 19.4054 -3.56632 19.4053 51.5734 2.11829 -3.56627 2.11823 8.43011 GPRESSAVG: 3449400 -44.3507 17.5586 -5.12189 20.1803 51.1432 0.983291 -2.11813 2.80387 8.89743 TIMING: 3449400 CPU: 10383.2, 0.00297555/step Wall: 10383.2, 0.00297555/step, 1.28164 hours remaining, 208.835938 MB of memory in use. ENERGY: 3449400 781.3221 2108.9238 1951.9118 125.8263 -206315.8637 18249.9603 0.0000 0.0000 34124.2804 -148973.6392 298.0158 -183097.9196 -148877.8119 300.3907 160.1139 193.1428 556279.5858 5.1898 5.2300 PRESSURE: 3449600 -308.413 12.1928 98.163 12.1932 -337.737 -154.908 98.1646 -154.908 -233.7 GPRESSURE: 3449600 -260.777 65.4862 35.986 -28.186 -355.404 -99.5179 66.6593 -174.095 -186.116 PRESSAVG: 3449600 2.84946 -11.0613 16.5311 -11.0613 27.4927 -46.0699 16.531 -46.07 8.99282 GPRESSAVG: 3449600 2.35474 -11.8854 16.2937 -10.5195 27.5296 -43.6072 16.1554 -46.6622 10.1223 TIMING: 3449600 CPU: 10383.8, 0.0029735/step Wall: 10383.8, 0.0029735/step, 1.28059 hours remaining, 208.835938 MB of memory in use. ENERGY: 3449600 774.2478 2045.8259 1947.6801 109.5391 -205665.4583 17507.6895 0.0000 0.0000 34162.8423 -149117.6335 298.3526 -183280.4758 -149024.3114 299.5212 -293.2836 -267.4323 559789.8334 13.1117 13.3355 PRESSURE: 3449800 -45.4777 -63.5891 91.2664 -63.59 286.55 -73.7197 91.2651 -73.7199 162.669 GPRESSURE: 3449800 21.4513 -93.5351 139.926 -52.1887 316.42 -57.4205 5.1868 30.7833 170.207 PRESSAVG: 3449800 -41.1602 -7.79948 43.542 -7.79957 -13.739 -33.9257 43.542 -33.9258 81.9713 GPRESSAVG: 3449800 -39.6242 -6.38498 44.0529 -7.00835 -13.9105 -35.1865 43.9454 -33.232 80.6995 TIMING: 3449800 CPU: 10384.4, 0.00298783/step Wall: 10384.4, 0.00298783/step, 1.28659 hours remaining, 208.835938 MB of memory in use. ENERGY: 3449800 744.6768 2093.0499 1936.2769 112.3998 -206449.7584 17984.4088 0.0000 0.0000 34560.7895 -149018.1568 301.8280 -183578.9462 -148916.3207 299.8537 134.5802 169.3594 557319.7961 9.0241 9.0549 PRESSURE: 3450000 117.115 -49.7007 -169.506 -49.7 -49.8806 -12.7937 -169.506 -12.7941 -104.384 GPRESSURE: 3450000 171.996 -37.3687 -170.097 23.0901 20.2104 76.9241 -147.328 -27.4939 -128.71 PRESSAVG: 3450000 67.545 -21.9521 31.8597 -21.9521 18.6073 26.5314 31.8597 26.5314 -40.9028 GPRESSAVG: 3450000 66.0423 -22.275 34.4504 -23.5072 20.3303 25.7898 30.2974 27.4922 -40.9193 TIMING: 3450000 CPU: 10385, 0.00301607/step Wall: 10385, 0.00301607/step, 1.29859 hours remaining, 208.835938 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: 3450000 771.7560 2079.7950 1932.0901 101.6352 -206071.0890 17781.2827 0.0000 0.0000 34205.6656 -149198.8644 298.7266 -183404.5300 -149103.9527 299.3517 -12.3833 21.1657 557199.6096 15.0831 15.1511 PRESSURE: 3450200 -146.439 -102.171 134.965 -102.171 -183.501 -198.366 134.963 -198.366 86.4088 GPRESSURE: 3450200 -147.838 -122.554 99.0934 -32.6785 -126.404 -98.7886 113.842 -163.777 145.88 PRESSAVG: 3450200 29.5935 -86.6632 -13.1922 -86.6631 25.1576 21.5626 -13.1922 21.5627 -11.1509 GPRESSAVG: 3450200 29.9124 -87.7007 -15.7226 -86.328 24.3495 18.8216 -12.4366 22.3854 -10.201 TIMING: 3450200 CPU: 10385.6, 0.00302921/step Wall: 10385.6, 0.00302921/step, 1.30408 hours remaining, 208.835938 MB of memory in use. ENERGY: 3450200 797.3839 2099.7779 1932.5359 109.3787 -205896.8399 17678.9466 0.0000 0.0000 34318.4681 -148960.3488 299.7117 -183278.8169 -148873.5515 299.1395 -81.1771 -42.7871 557391.8455 14.5334 14.6870 PRESSURE: 3450400 -247.977 -39.6742 138.301 -39.6725 76.0164 182.048 138.301 182.049 -301.185 GPRESSURE: 3450400 -210.207 -63.5469 139.915 -24.5043 32.5241 215.392 124.533 175.719 -221.483 PRESSAVG: 3450400 -42.4819 -45.459 16.0921 -45.459 -24.2767 2.20514 16.0921 2.20514 43.5181 GPRESSAVG: 3450400 -41.0239 -44.4724 15.1852 -44.9874 -24.3421 5.72843 16.6287 1.06815 41.657 TIMING: 3450400 CPU: 10386.2, 0.00304406/step Wall: 10386.2, 0.00304406/step, 1.3103 hours remaining, 208.835938 MB of memory in use. ENERGY: 3450400 739.6949 2135.7291 1959.9054 113.7163 -205729.3297 17612.5915 0.0000 0.0000 34192.0227 -148975.6698 298.6074 -183167.6925 -148880.7264 299.8886 -157.7152 -133.0551 558062.1704 -7.7468 -7.9030 PRESSURE: 3450600 -193.964 -67.6239 -100.759 -67.6239 201.908 -14.7675 -100.758 -14.7673 -77.2514 GPRESSURE: 3450600 -184.503 19.6195 -156.783 -56.9371 253.082 -29.8355 -91.2991 -25.605 -30.993 PRESSAVG: 3450600 -47.2718 31.3751 16.9116 31.3752 39.8894 10.9595 16.9117 10.9595 -15.5901 GPRESSAVG: 3450600 -49.2089 31.6455 17.1153 29.9484 40.3262 10.7017 19.7496 10.7801 -14.5527 TIMING: 3450600 CPU: 10386.8, 0.00301771/step Wall: 10386.8, 0.00301771/step, 1.29879 hours remaining, 208.835938 MB of memory in use. ENERGY: 3450600 721.8821 2085.0366 1963.8543 107.1142 -206275.6758 17899.2243 0.0000 0.0000 34158.7041 -149339.8602 298.3165 -183498.5643 -149247.2666 298.9742 -23.1027 12.5285 557158.7068 -7.6575 -7.8118 PRESSURE: 3450800 -283.902 -182.237 51.5157 -182.238 -40.907 -71.0898 51.5157 -71.0904 -94.2711 GPRESSURE: 3450800 -267.304 -154.899 2.62929 -254.341 -2.83447 -71.6555 126.517 -50.4425 -68.6644 PRESSAVG: 3450800 45.9713 -6.40601 0.616526 -6.40607 31.722 -37.8332 0.61658 -37.8332 -22.4175 GPRESSAVG: 3450800 46.9847 -8.3077 1.79548 -4.66801 31.3898 -37.7125 -1.67049 -37.7917 -22.8514 TIMING: 3450800 CPU: 10387.4, 0.00299571/step Wall: 10387.4, 0.00299571/step, 1.28915 hours remaining, 208.835938 MB of memory in use. ENERGY: 3450800 753.4811 2074.3629 1958.1637 99.4890 -205828.9297 17464.3466 0.0000 0.0000 34350.4334 -149128.6530 299.9909 -183479.0864 -149029.3036 298.9389 -139.6934 -112.9344 558718.2704 18.4253 18.5077 PRESSURE: 3451000 -159.875 -91.9983 -102.187 -91.9967 16.7278 200.399 -102.188 200.398 -248.978 GPRESSURE: 3451000 -87.8685 -94.6847 -87.6299 -66.4111 19.4498 170.724 -118.459 122.659 -229.574 PRESSAVG: 3451000 -8.7719 -34.6708 -5.76569 -34.6707 27.5273 31.0922 -5.76568 31.0922 -23.461 GPRESSAVG: 3451000 -9.23366 -34.5778 -5.43093 -36.2189 27.568 29.0935 -6.9107 32.3885 -23.0872 TIMING: 3451000 CPU: 10388, 0.00298824/step Wall: 10388, 0.00298824/step, 1.28577 hours remaining, 208.835938 MB of memory in use. ENERGY: 3451000 699.1918 2090.1985 1964.4464 124.3183 -205423.0957 17366.0435 0.0000 0.0000 34067.9671 -149110.9301 297.5240 -183178.8971 -149010.4019 299.5310 -130.7087 -99.3310 557201.4849 -1.5686 -1.5843 PRESSURE: 3451200 -106.172 -8.72548 101.108 -8.72558 -54.369 45.9815 101.109 45.981 -135.895 GPRESSURE: 3451200 -54.3703 -45.1689 152.303 -7.80686 0.117478 101.069 82.8092 67.355 -152.617 PRESSAVG: 3451200 62.2574 -18.6631 -46.9102 -18.6631 -16.3549 65.3477 -46.9101 65.3477 -53.4928 GPRESSAVG: 3451200 62.2829 -15.4274 -47.0249 -20.0388 -17.1037 68.0165 -46.2344 61.8222 -52.9357 TIMING: 3451200 CPU: 10388.6, 0.00297684/step Wall: 10388.6, 0.00297684/step, 1.2807 hours remaining, 208.835938 MB of memory in use. ENERGY: 3451200 789.8226 2064.1901 1957.5192 112.0028 -205982.0697 17836.7143 0.0000 0.0000 34221.0948 -149000.7259 298.8613 -183221.8208 -148910.7471 299.1954 -98.8119 -68.9566 558451.6034 -2.5301 -2.5855 PRESSURE: 3451400 -248.213 16.5153 -202.099 16.5154 -236.893 40.5183 -202.099 40.5166 -80.4279 GPRESSURE: 3451400 -215.609 46.7889 -246.04 -15.4428 -169.572 -21.2917 -161.352 33.8903 -58.7651 PRESSAVG: 3451400 0.322527 -35.2584 10.3084 -35.2584 -40.3215 55.2191 10.3084 55.2191 65.6329 GPRESSAVG: 3451400 -0.244144 -36.9225 9.63506 -33.9321 -39.9577 54.2215 8.91435 57.7746 65.144 TIMING: 3451400 CPU: 10389.2, 0.00299616/step Wall: 10389.2, 0.00299616/step, 1.28885 hours remaining, 208.835938 MB of memory in use. ENERGY: 3451400 728.8664 2034.1949 1929.9032 124.1979 -205545.2557 17526.2677 0.0000 0.0000 34190.4613 -149011.3642 298.5938 -183201.8255 -148917.8179 299.6675 -188.5115 -147.9819 559491.2159 8.5447 8.3141 PRESSURE: 3451600 -12.4484 9.00632 82.153 9.00499 -10.7869 -14.7016 82.1523 -14.7007 105.076 GPRESSURE: 3451600 -0.35323 4.97657 16.7452 -0.0850998 22.8576 -76.7729 11.7416 32.7695 161.261 PRESSAVG: 3451600 8.63953 86.7307 13.8025 86.7306 -11.0417 -17.9627 13.8025 -17.9626 -20.8049 GPRESSAVG: 3451600 8.67897 85.7336 14.1568 88.7814 -10.6163 -17.8425 15.9706 -18.2648 -21.3243 TIMING: 3451600 CPU: 10389.8, 0.00299794/step Wall: 10389.8, 0.00299794/step, 1.28945 hours remaining, 208.835938 MB of memory in use. ENERGY: 3451600 720.3800 2046.6548 1934.0644 113.8309 -206439.0506 17949.3145 0.0000 0.0000 34422.7225 -149252.0835 300.6222 -183674.8059 -149166.6666 299.1958 27.2804 61.2552 558099.7818 -7.7357 -7.7539 PRESSURE: 3451800 3.72894 7.74156 -92.3414 7.74048 -201.908 96.8456 -92.3417 96.8443 -2.27925 GPRESSURE: 3451800 74.6415 -60.2374 -66.2506 68.0025 -215.495 100.319 -82.6296 107.129 35.8321 PRESSAVG: 3451800 47.7737 -11.4641 19.314 -11.464 -32.518 4.49083 19.314 4.49078 -9.8164 GPRESSAVG: 3451800 47.7385 -12.5961 19.8002 -11.964 -33.4716 3.36516 17.2439 5.63836 -8.53767 TIMING: 3451800 CPU: 10390.4, 0.00302035/step Wall: 10390.4, 0.00302035/step, 1.29892 hours remaining, 208.835938 MB of memory in use. ENERGY: 3451800 728.6526 2070.1882 1953.6373 111.5382 -206025.7709 17623.4041 0.0000 0.0000 34251.9653 -149286.3853 299.1309 -183538.3505 -149190.6928 299.0674 -66.8196 -35.0071 558545.7113 1.8131 1.9098 PRESSURE: 3452000 34.7447 7.05058 1.60522 7.05038 -90.2437 16.2592 1.60574 16.2591 -332.704 GPRESSURE: 3452000 92.7135 36.1209 -32.7314 78.9521 -55.508 9.35724 27.3459 36.8143 -329.137 PRESSAVG: 3452000 66.0793 -56.3921 -10.8262 -56.3921 -28.8434 4.49609 -10.8261 4.49603 -81.7119 GPRESSAVG: 3452000 65.6847 -54.9445 -11.6771 -57.7186 -27.9237 3.91781 -9.03392 3.10983 -82.5567 TIMING: 3452000 CPU: 10391, 0.00302077/step Wall: 10391, 0.00302077/step, 1.29893 hours remaining, 208.835938 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: 3452000 750.2571 2047.5974 1952.7639 100.0833 -206293.5629 17845.6779 0.0000 0.0000 34266.4625 -149330.7208 299.2575 -183597.1833 -149226.8611 298.6843 -129.4011 -97.3106 558477.9971 -14.8253 -14.9319 PRESSURE: 3452200 -195.168 8.29508 -43.348 8.29406 -135.542 -26.1116 -43.3469 -26.1104 -198.665 GPRESSURE: 3452200 -147.162 52.2109 -65.0721 65.9955 -114.874 -47.5181 -20.3871 40.3127 -163.487 PRESSAVG: 3452200 42.0108 -1.34763 25.7 -1.34755 -39.2104 -18.8336 25.7 -18.8336 -1.98454 GPRESSAVG: 3452200 42.8952 -2.29491 24.5177 0.157888 -39.1748 -19.8878 27.0581 -16.9888 -2.39881 TIMING: 3452200 CPU: 10391.6, 0.00301071/step Wall: 10391.6, 0.00301071/step, 1.29444 hours remaining, 208.835938 MB of memory in use. ENERGY: 3452200 726.9959 2044.2501 1933.3557 119.7295 -206037.8773 17617.6757 0.0000 0.0000 34020.9379 -149574.9324 297.1133 -183595.8703 -149475.3718 298.7325 -176.4584 -141.8409 558505.6913 0.2720 0.4405 LDB: ============= START OF LOAD BALANCING ============== 10395.1 LDB: ============== END OF LOAD BALANCING =============== 10395.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10395.1 LDB: ============= START OF LOAD BALANCING ============== 10395.4 LDB: Largest compute 4773 load 0.031870 is 27.0% of average load 0.118123 LDB: Average compute 0.001713 is 1.5% of average load 0.118123 LDB: TIME 10395.4 LOAD: AVG 0.118123 MAX 0.209838 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.684 MB LDB: TIME 10395.4 LOAD: AVG 0.118123 MAX 0.209838 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.684 MB LDB: TIME 10395.4 LOAD: AVG 0.118123 MAX 0.209838 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.684 MB LDB: ============== END OF LOAD BALANCING =============== 10395.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10395.4 PRESSURE: 3452400 152.342 -18.8758 15.2851 -18.8766 -155.997 -117.998 15.2864 -117.996 -39.985 GPRESSURE: 3452400 175.637 43.4287 -2.05018 -78.0005 -83.1576 -162.263 37.7731 -31.3592 -38.17 PRESSAVG: 3452400 4.87508 45.3595 66.1662 45.3595 -10.1626 -53.6187 66.1661 -53.6186 -22.8627 GPRESSAVG: 3452400 4.63226 45.5997 67.6087 43.1012 -9.9402 -51.2248 63.5762 -55.8277 -22.959 TIMING: 3452400 CPU: 10392.2, 0.00307828/step Wall: 10392.2, 0.00307828/step, 1.32332 hours remaining, 207.917969 MB of memory in use. ENERGY: 3452400 769.5529 2029.3672 1942.2997 101.6573 -206498.0596 17910.2788 0.0000 0.0000 34259.5737 -149485.3300 299.1974 -183744.9037 -149387.9900 298.0112 -14.5469 18.1033 556763.4669 -9.3834 -9.4223 PRESSURE: 3452600 -175.669 -117.134 -26.995 -117.134 142.515 80.5869 -26.9945 80.5887 -248.708 GPRESSURE: 3452600 -128.956 -86.6091 -12.3471 -156.1 185.847 55.2008 -93.4025 33.0115 -232.395 PRESSAVG: 3452600 16.8033 46.359 6.8781 46.3591 34.5512 -13.1932 6.87819 -13.1932 -84.9375 GPRESSAVG: 3452600 17.5007 47.9131 6.2342 46.9296 35.0476 -12.6245 8.01477 -10.8263 -85.6555 TIMING: 3452600 CPU: 10392.8, 0.00299445/step Wall: 10392.8, 0.00299445/step, 1.28712 hours remaining, 207.917969 MB of memory in use. ENERGY: 3452600 727.7479 2043.6420 1945.4691 112.6563 -206314.6633 17666.9481 0.0000 0.0000 34340.2747 -149477.9252 299.9022 -183818.1999 -149378.5958 298.7923 -93.9540 -58.5014 556026.4127 -11.1943 -11.0357 PRESSURE: 3452800 -131.727 -389.861 -123.448 -389.861 8.72935 60.257 -123.449 60.2581 -64.0245 GPRESSURE: 3452800 -118.11 -428.71 -105.368 -313.267 65.1115 61.1722 -89.1873 19.4646 -40.7713 PRESSAVG: 3452800 -35.539 -26.1328 63.6725 -26.1328 1.07466 23.7229 63.6726 23.7229 18.8822 GPRESSAVG: 3452800 -36.8773 -26.2003 65.2237 -26.9211 1.55964 23.0087 64.0208 21.7803 18.9975 TIMING: 3452800 CPU: 10393.4, 0.0030073/step Wall: 10393.4, 0.0030073/step, 1.29247 hours remaining, 207.917969 MB of memory in use. ENERGY: 3452800 770.0306 2091.7245 1945.7499 117.5959 -206356.5629 17763.4308 0.0000 0.0000 34228.5579 -149439.4733 298.9265 -183668.0312 -149340.4035 298.8762 -62.3408 -31.2566 558045.9178 -5.1941 -5.4400 PRESSURE: 3453000 -29.1336 -45.8108 69.9586 -45.8102 -9.44563 -164.48 69.9588 -164.48 -149.157 GPRESSURE: 3453000 -3.79799 54.9101 37.3736 15.4912 6.01294 -155.703 79.6763 -108.654 -101.314 PRESSAVG: 3453000 -7.77894 -40.3725 18.3607 -40.3726 17.2023 6.04497 18.3606 6.04501 -11.0401 GPRESSAVG: 3453000 -6.21095 -39.5362 19.6438 -39.8755 15.6056 6.47224 17.5521 6.81418 -10.801 TIMING: 3453000 CPU: 10394, 0.00300282/step Wall: 10394, 0.00300282/step, 1.29038 hours remaining, 207.917969 MB of memory in use. ENERGY: 3453000 746.6317 2095.3353 1941.3588 115.2149 -206387.8620 17717.3646 0.0000 0.0000 34164.4306 -149607.5261 298.3665 -183771.9567 -149509.5829 298.9969 -62.5788 -33.0329 556221.1899 -0.5389 -0.4688 PRESSURE: 3453200 192.833 -40.6716 -60.593 -40.6732 340.39 1.25026 -60.5943 1.25088 14.7457 GPRESSURE: 3453200 160.63 -111.229 -11.0333 26.8791 369.359 46.524 -79.6429 -33.0498 116.662 PRESSAVG: 3453200 -40.1124 42.4644 -40.5261 42.4643 25.2838 -4.41652 -40.5261 -4.41649 -28.7452 GPRESSAVG: 3453200 -41.7364 39.9907 -42.257 42.6709 26.1915 -5.64114 -41.985 -4.68694 -27.6168 TIMING: 3453200 CPU: 10394.6, 0.00298469/step Wall: 10394.6, 0.00298469/step, 1.28242 hours remaining, 207.917969 MB of memory in use. ENERGY: 3453200 782.8761 2040.6758 1947.9979 120.7018 -207095.1760 18167.4153 0.0000 0.0000 34311.0712 -149724.4378 299.6471 -184035.5090 -149622.5914 299.5998 182.6561 215.5503 556384.1873 -14.5246 -14.3872 PRESSURE: 3453400 -150.134 10.6564 17.0176 10.6567 45.77 44.2871 17.0152 44.2867 173.178 GPRESSURE: 3453400 -58.4563 32.2972 36.0432 29.322 64.5564 -51.9873 37.3927 70.9819 169.52 PRESSAVG: 3453400 7.03168 -24.5569 -5.59971 -24.5569 -45.0887 9.42026 -5.59979 9.42026 8.9967 GPRESSAVG: 3453400 6.27404 -23.3235 -4.43088 -25.3022 -45.2359 11.2173 -4.32957 9.32197 9.66524 TIMING: 3453400 CPU: 10395.2, 0.00296505/step Wall: 10395.2, 0.00296505/step, 1.27382 hours remaining, 207.917969 MB of memory in use. ENERGY: 3453400 718.5673 2096.3353 1938.0384 107.8722 -206634.9670 18027.1888 0.0000 0.0000 34144.8336 -149602.1314 298.1953 -183746.9650 -149502.1488 297.8837 22.9379 58.5399 557371.3216 -9.6868 -9.7655 PRESSURE: 3453600 -81.9106 145.013 51.7144 145.011 -116.541 36.4802 51.7128 36.4794 -91.0876 GPRESSURE: 3453600 -9.7366 165.946 -27.8894 221.158 -108.405 105.277 106.439 61.6322 -65.8833 PRESSAVG: 3453600 33.3413 4.77779 7.98861 4.7778 16.52 -6.95986 7.98853 -6.95983 -5.33762 GPRESSAVG: 3453600 34.2734 5.18809 8.55518 4.35142 16.5315 -8.27195 7.11156 -6.45029 -6.20235 TIMING: 3453600 CPU: 10395.8, 0.00299539/step Wall: 10395.8, 0.00299539/step, 1.28669 hours remaining, 207.917969 MB of memory in use. ENERGY: 3453600 752.3533 2062.2473 1916.3979 114.8982 -206246.2684 17737.9161 0.0000 0.0000 34268.2281 -149394.2275 299.2730 -183662.4556 -149294.3384 298.6307 -96.5132 -61.3418 557207.2399 14.8412 14.8675 PRESSURE: 3453800 82.7343 -7.98874 -24.3317 -7.98796 398.953 -127.422 -24.3315 -127.422 181.414 GPRESSURE: 3453800 129.178 -11.764 -47.8283 77.6692 417.81 -144.522 6.89995 -136.346 204.329 PRESSAVG: 3453800 -41.9899 18.6793 26.1881 18.6793 32.7637 -20.5265 26.1881 -20.5266 50.5933 GPRESSAVG: 3453800 -42.4624 18.3912 23.5715 17.5682 31.9748 -20.1004 27.2992 -20.68 51.4924 TIMING: 3453800 CPU: 10396.4, 0.00300111/step Wall: 10396.4, 0.00300111/step, 1.28898 hours remaining, 207.917969 MB of memory in use. ENERGY: 3453800 737.2839 2115.9689 1930.8356 123.5897 -206338.7573 18001.4745 0.0000 0.0000 34080.5108 -149349.0940 297.6336 -183429.6048 -149257.8381 299.0104 221.0336 250.4392 556320.7944 13.7890 13.6683 PRESSURE: 3454000 21.6802 28.0449 -105.642 28.0433 -4.66586 1.41267 -105.644 1.40963 -46.911 GPRESSURE: 3454000 -9.50621 -10.4561 -113.215 -0.0113557 54.6631 -21.8327 -103.49 36.4551 29.8187 PRESSAVG: 3454000 -13.6403 7.54893 -36.7602 7.54892 10.3829 -31.8768 -36.7602 -31.8768 17.8517 GPRESSAVG: 3454000 -13.116 9.22187 -34.9799 7.72262 10.1001 -33.0058 -37.9388 -33.0997 17.3278 TIMING: 3454000 CPU: 10397, 0.00299445/step Wall: 10397, 0.00299445/step, 1.28595 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: 3454000 741.9617 2080.8483 1948.3178 108.9345 -206491.5696 17881.7818 0.0000 0.0000 34498.2195 -149231.5061 301.2815 -183729.7256 -149129.9539 299.1756 -9.9656 24.9919 557549.1321 4.8648 4.7707 PRESSURE: 3454200 -23.4083 -6.4202 189.985 -6.4193 -25.5457 56.0349 189.985 56.0354 169.12 GPRESSURE: 3454200 14.835 78.2383 153.89 -12.7854 -42.9767 52.8628 156.314 95.1011 246.909 PRESSAVG: 3454200 5.73193 31.8288 -7.26098 31.8287 -6.73695 -23.9431 -7.26095 -23.9431 6.11587 GPRESSAVG: 3454200 5.62619 30.2523 -7.34709 32.0704 -6.27991 -22.682 -6.76393 -23.4442 5.62935 TIMING: 3454200 CPU: 10397.6, 0.00299648/step Wall: 10397.6, 0.00299648/step, 1.28665 hours remaining, 207.976562 MB of memory in use. ENERGY: 3454200 748.8791 2086.1397 1966.0293 107.9776 -206276.8816 17914.8055 0.0000 0.0000 34146.5308 -149306.5195 298.2101 -183453.0503 -149211.7231 298.8787 40.0553 72.9223 557461.6404 1.7036 1.6585 PRESSURE: 3454400 -67.2915 -1.05411 -40.7438 -1.05404 139.497 -20.8484 -40.7433 -20.8493 229.296 GPRESSURE: 3454400 70.1211 8.3977 -51.0753 -0.165925 193.539 -35.6337 -95.4515 -7.82305 140.806 PRESSAVG: 3454400 -29.0771 26.5117 -16.54 26.5117 -16.6263 34.852 -16.5399 34.8518 26.8987 GPRESSAVG: 3454400 -28.5731 27.3709 -17.2717 27.192 -16.8444 34.1134 -15.0987 35.019 26.551 TIMING: 3454400 CPU: 10398.2, 0.00301007/step Wall: 10398.2, 0.00301007/step, 1.29232 hours remaining, 207.976562 MB of memory in use. ENERGY: 3454400 775.6840 2075.6144 1955.7051 99.5973 -206435.1825 18001.3580 0.0000 0.0000 34300.5930 -149226.6306 299.5556 -183527.2236 -149134.9758 298.8518 100.5006 134.8219 557257.8379 -6.2682 -6.2888 PRESSURE: 3454600 181.824 71.1094 74.9506 71.1104 -77.8586 145.61 74.9518 145.609 -182.148 GPRESSURE: 3454600 168.078 106.151 175.133 67.1396 -27.8656 55.4831 77.818 137.735 -118.777 PRESSAVG: 3454600 21.1221 17.7561 -11.9817 17.7562 -28.46 12.8678 -11.9817 12.8678 -9.3257 GPRESSAVG: 3454600 19.0005 17.3278 -11.176 17.3082 -27.7639 12.4214 -12.4283 12.9595 -7.80341 TIMING: 3454600 CPU: 10398.8, 0.00301366/step Wall: 10398.8, 0.00301366/step, 1.2937 hours remaining, 207.976562 MB of memory in use. ENERGY: 3454600 708.1563 2061.5052 1968.6930 110.0331 -206087.5813 17680.0826 0.0000 0.0000 34461.0016 -149098.1096 300.9565 -183559.1112 -148996.3504 300.2750 -26.0608 7.1451 558794.0766 -5.5545 -5.5223 PRESSURE: 3454800 -252.953 -64.9943 2.02032 -64.9934 -89.8366 -136.801 2.01971 -136.802 -135.621 GPRESSURE: 3454800 -189.914 8.00924 23.9152 -149.431 -42.5046 -109.037 18.9547 -103.649 -147.602 PRESSAVG: 3454800 13.7804 24.5784 16.7406 24.5784 6.62899 12.7149 16.7406 12.7148 2.57489 GPRESSAVG: 3454800 15.7984 23.5428 17.0629 24.8519 6.00194 13.1869 15.8475 10.3912 1.74708 TIMING: 3454800 CPU: 10399.4, 0.0030163/step Wall: 10399.4, 0.0030163/step, 1.29466 hours remaining, 207.976562 MB of memory in use. ENERGY: 3454800 737.5544 2149.7656 1929.5583 119.0501 -205976.5046 17669.3060 0.0000 0.0000 34272.4994 -149098.7709 299.3103 -183371.2703 -149004.4885 299.6789 -159.4703 -126.6738 559414.0842 7.6614 7.8491 PRESSURE: 3455000 118.579 104.025 -113.065 104.026 -51.9017 15.2361 -113.064 15.2363 212.546 GPRESSURE: 3455000 191.029 79.7604 -1.60756 110.184 -25.2871 -48.3466 -147.355 41.6411 207.854 PRESSAVG: 3455000 20.6705 -11.6287 53.3026 -11.6286 53.1231 -5.89606 53.3026 -5.896 -33.521 GPRESSAVG: 3455000 19.8607 -14.1559 52.9558 -9.61584 53.5559 -7.59207 53.8836 -3.00433 -32.9031 TIMING: 3455000 CPU: 10400, 0.00301493/step Wall: 10400, 0.00301493/step, 1.29391 hours remaining, 207.976562 MB of memory in use. ENERGY: 3455000 691.8069 2138.3621 1932.7364 108.9986 -205956.1650 17758.5115 0.0000 0.0000 34266.2524 -149059.4972 299.2557 -183325.7495 -148968.7783 299.8370 93.0745 124.5318 559515.5803 13.4242 13.5045 PRESSURE: 3455200 -62.846 -100.923 134.285 -100.922 -42.1267 -170.799 134.285 -170.8 -163.917 GPRESSURE: 3455200 -18.3924 -143.842 0.0438602 -74.9048 -45.1201 -166.133 201.811 -239.93 -103.092 PRESSAVG: 3455200 -98.8438 7.98729 23.868 7.98735 26.2931 27.3102 23.868 27.3102 86.0855 GPRESSAVG: 3455200 -98.3725 12.8875 22.3821 5.58867 25.6616 29.79 24.7387 25.3597 86.5574 TIMING: 3455200 CPU: 10400.6, 0.00302769/step Wall: 10400.6, 0.00302769/step, 1.29922 hours remaining, 207.976562 MB of memory in use. ENERGY: 3455200 707.6318 2096.3766 1928.3368 113.9637 -205737.0408 17506.3877 0.0000 0.0000 34322.5450 -149061.7992 299.7473 -183384.3442 -148968.8586 299.2526 -89.6298 -55.5349 556857.6152 4.5116 4.6155 PRESSURE: 3455400 -49.9282 28.3313 -64.0777 28.3303 -111.111 63.0938 -64.0787 63.0937 376.376 GPRESSURE: 3455400 -72.7537 -26.9716 -39.0592 59.4974 -56.6876 155.102 -44.7487 -49.8971 438.561 PRESSAVG: 3455400 -10.9785 48.4514 -21.8875 48.4515 14.0773 -9.02367 -21.8876 -9.02375 12.2644 GPRESSAVG: 3455400 -11.3499 46.6311 -20.4877 49.2678 15.3406 -9.28551 -22.2168 -7.93868 11.0868 TIMING: 3455400 CPU: 10401.2, 0.00300559/step Wall: 10401.2, 0.00300559/step, 1.28957 hours remaining, 207.976562 MB of memory in use. ENERGY: 3455400 713.4488 2076.5516 1935.1718 110.4402 -206358.0365 17850.4628 0.0000 0.0000 34418.6177 -149253.3437 300.5863 -183671.9613 -149157.0967 299.3069 71.7792 103.0400 557184.7997 5.1211 5.0258 PRESSURE: 3455600 119.392 -102.598 -82.2044 -102.599 79.2808 74.5888 -82.2044 74.5887 196.819 GPRESSURE: 3455600 152.815 -36.6963 -56.3583 -48.1153 69.3067 -17.6329 -147.486 29.8506 267.363 PRESSAVG: 3455600 28.2462 11.9606 -34.0728 11.9605 -13.2477 -29.1418 -34.0729 -29.1418 17.9435 GPRESSAVG: 3455600 28.5659 11.7534 -34.6358 13.1402 -14.6291 -31.9935 -33.8304 -27.843 18.3612 TIMING: 3455600 CPU: 10401.8, 0.00300751/step Wall: 10401.8, 0.00300751/step, 1.29022 hours remaining, 207.976562 MB of memory in use. ENERGY: 3455600 753.9073 2070.2980 1942.0527 103.1578 -206472.2274 17978.6188 0.0000 0.0000 34366.2067 -149257.9861 300.1286 -183624.1928 -149162.6165 299.0471 131.8305 163.1616 556283.3570 10.9807 10.7660 PRESSURE: 3455800 12.0277 139.985 59.2628 139.985 64.0391 33.6249 59.263 33.626 -135.371 GPRESSURE: 3455800 18.3042 122.835 137.026 173.926 93.6296 2.8984 95.0215 9.57179 -68.8848 PRESSAVG: 3455800 -53.6344 40.7051 -34.5445 40.7051 17.5145 3.88257 -34.5444 3.88252 39.7893 GPRESSAVG: 3455800 -54.214 41.2441 -32.412 39.0117 18.2206 6.34029 -35.8318 0.769366 39.2994 TIMING: 3455800 CPU: 10402.4, 0.00299036/step Wall: 10402.4, 0.00299036/step, 1.2827 hours remaining, 207.976562 MB of memory in use. ENERGY: 3455800 747.3738 2099.7541 1928.7792 108.1884 -206263.2679 17781.0653 0.0000 0.0000 34394.3220 -149203.7849 300.3742 -183598.1070 -149102.1328 299.0126 -19.7682 14.3497 557112.5556 1.2231 1.1020 PRESSURE: 3456000 159.628 87.1653 -146.355 87.165 54.2484 218.075 -146.355 218.074 -109.873 GPRESSURE: 3456000 222.376 114.604 -124.072 106.737 28.9335 254.325 -157.043 131.518 -49.7125 PRESSAVG: 3456000 35.7835 60.4212 -28.0413 60.4211 -19.6413 6.45835 -28.0412 6.45837 6.9748 GPRESSAVG: 3456000 35.0309 60.666 -30.8462 60.7166 -19.8644 7.1229 -27.467 6.3854 8.51136 TIMING: 3456000 CPU: 10403, 0.00298257/step Wall: 10403, 0.00298257/step, 1.27919 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: 3456000 733.6894 2009.9369 1913.0095 105.9629 -205968.2799 17789.7197 0.0000 0.0000 34094.3715 -149321.5902 297.7546 -183415.9617 -149218.5473 300.1191 34.6679 67.1989 557010.4945 7.7056 7.8926 PRESSURE: 3456200 104.958 35.2508 -167.801 35.2505 34.0755 -105.69 -167.801 -105.691 -248.636 GPRESSURE: 3456200 140.737 123.07 -236.98 -63.373 62.8233 -41.2494 -122.705 -156.248 -231.314 PRESSAVG: 3456200 -0.82704 6.70055 5.15035 6.70059 8.7491 -28.5722 5.15024 -28.5721 4.82779 GPRESSAVG: 3456200 0.365169 7.6968 6.56605 5.51674 9.21539 -30.6231 3.89619 -26.0435 3.00806 TIMING: 3456200 CPU: 10403.6, 0.00300298/step Wall: 10403.6, 0.00300298/step, 1.28778 hours remaining, 207.976562 MB of memory in use. ENERGY: 3456200 731.0410 2087.7855 1930.4124 114.2134 -206464.4548 17877.8615 0.0000 0.0000 34436.2621 -149286.8789 300.7404 -183723.1410 -149192.0219 299.7805 -36.5345 -9.2511 557069.7729 4.2499 4.1962 LDB: ============= START OF LOAD BALANCING ============== 10407.1 LDB: ============== END OF LOAD BALANCING =============== 10407.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10407.1 LDB: ============= START OF LOAD BALANCING ============== 10407.4 LDB: Largest compute 4773 load 0.029829 is 25.2% of average load 0.118135 LDB: Average compute 0.001721 is 1.5% of average load 0.118135 LDB: TIME 10407.4 LOAD: AVG 0.118135 MAX 0.207656 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.312 MB LDB: TIME 10407.4 LOAD: AVG 0.118135 MAX 0.207656 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.516 MB LDB: TIME 10407.4 LOAD: AVG 0.118135 MAX 0.207656 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.516 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10407.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10407.5 PRESSURE: 3456400 116.066 95.8782 57.5673 95.8781 42.2857 107.823 57.5672 107.822 38.3462 GPRESSURE: 3456400 133.051 47.1807 38.1881 117.452 85.1313 82.8817 61.3406 146.41 78.0127 PRESSAVG: 3456400 23.5337 -15.386 -46.6453 -15.386 4.18455 6.17538 -46.6452 6.17543 -2.15956 GPRESSAVG: 3456400 22.3411 -14.3083 -46.618 -14.2944 4.49507 5.84246 -44.8225 6.0616 -1.18097 TIMING: 3456400 CPU: 10404.2, 0.00304452/step Wall: 10404.2, 0.00304452/step, 1.30542 hours remaining, 208.359375 MB of memory in use. ENERGY: 3456400 734.8368 2097.4590 1940.5346 112.9107 -206084.0464 17746.8670 0.0000 0.0000 34129.4170 -149322.0213 298.0607 -183451.4383 -149223.5887 299.1937 65.5658 98.7318 557527.9984 8.5196 8.5517 PRESSURE: 3456600 77.6034 119.046 185.725 119.047 38.9806 -229.935 185.726 -229.937 -201.159 GPRESSURE: 3456600 93.8458 54.8039 130.163 163.946 71.6499 -154.437 131.835 -220.242 -150.904 PRESSAVG: 3456600 -61.1548 -6.90396 -36.7043 -6.90392 -23.5952 32.5872 -36.7043 32.5872 46.6534 GPRESSAVG: 3456600 -61.3089 -9.04669 -38.719 -8.26316 -24.2217 35.8448 -36.9676 30.3137 47.1592 TIMING: 3456600 CPU: 10404.8, 0.00295453/step Wall: 10404.8, 0.00295453/step, 1.26667 hours remaining, 208.632812 MB of memory in use. ENERGY: 3456600 738.1318 2066.0498 1931.3201 112.0544 -206162.2107 17833.1394 0.0000 0.0000 34168.2804 -149313.2347 298.4001 -183481.5151 -149217.5819 299.2636 -28.1915 4.8639 558017.0611 -12.6989 -12.7905 PRESSURE: 3456800 -222.025 59.4264 100.08 59.4272 -331.002 -26.9714 100.08 -26.9717 78.3455 GPRESSURE: 3456800 -157.783 68.1744 49.8432 76.7309 -333.323 -48.3849 88.7863 5.71616 110.449 PRESSAVG: 3456800 -53.7412 12.8994 12.2462 12.8994 -21.0519 -9.50926 12.2461 -9.50918 56.3889 GPRESSAVG: 3456800 -52.6158 14.5582 12.8287 13.6235 -20.3417 -10.2506 12.3181 -8.43327 55.0492 TIMING: 3456800 CPU: 10405.4, 0.00294827/step Wall: 10405.4, 0.00294827/step, 1.26382 hours remaining, 208.632812 MB of memory in use. ENERGY: 3456800 738.2417 2063.0567 1964.9098 116.7655 -205975.8524 17632.2822 0.0000 0.0000 34175.5120 -149285.0844 298.4632 -183460.5964 -149196.4311 298.8598 -158.2269 -126.8855 557649.6319 -6.1347 -5.9695 PRESSURE: 3457000 -59.3403 13.5752 102.763 13.5748 143.784 101.532 102.762 101.532 -93.8235 GPRESSURE: 3457000 -41.1016 -66.9971 56.9673 44.2802 154.813 124.689 72.3128 118.109 -25.826 PRESSAVG: 3457000 -53.3731 -0.427189 34.6056 -0.427211 -7.80014 19.5466 34.6055 19.5466 49.2518 GPRESSAVG: 3457000 -53.6733 -1.40349 34.7167 0.0837096 -8.72789 18.8309 34.0592 18.7274 50.3427 TIMING: 3457000 CPU: 10406, 0.00294652/step Wall: 10406, 0.00294652/step, 1.26291 hours remaining, 208.632812 MB of memory in use. ENERGY: 3457000 718.6554 2115.3351 1926.7958 111.5421 -205867.9093 17559.8999 0.0000 0.0000 34239.1732 -149196.5078 299.0192 -183435.6810 -149102.4281 299.0347 -3.1266 29.2950 557305.8797 -3.9738 -4.0195 PRESSURE: 3457200 -356.887 166.896 -1.85516 166.895 -26.5559 36.7471 -1.85472 36.749 -153.492 GPRESSURE: 3457200 -310.206 133.899 2.60062 118.959 12.548 14.0364 10.872 44.7321 -144.461 PRESSAVG: 3457200 -0.587854 61.0672 41.2178 61.0671 -47.0722 -20.0338 41.2178 -20.0339 43.7179 GPRESSAVG: 3457200 -0.0246927 60.4921 42.1339 60.7412 -47.8171 -19.8476 40.514 -19.6839 43.9847 TIMING: 3457200 CPU: 10406.6, 0.00295858/step Wall: 10406.6, 0.00295858/step, 1.26791 hours remaining, 208.632812 MB of memory in use. ENERGY: 3457200 751.6321 2059.2707 1938.2769 114.3649 -206034.0449 17653.3028 0.0000 0.0000 34418.5019 -149098.6955 300.5853 -183517.1974 -148995.9086 299.7800 -178.9784 -147.3731 558374.3469 -1.3141 -1.2857 PRESSURE: 3457400 298.177 92.6289 -111.085 92.6292 31.489 -1.61854 -111.086 -1.6172 42.1602 GPRESSURE: 3457400 314.427 105.96 -38.6365 161.813 82.6783 -47.0192 -194.148 52.6525 62.148 PRESSAVG: 3457400 -54.9706 60.6322 -2.53051 60.6322 15.0968 -60 -2.53057 -59.9999 17.8665 GPRESSAVG: 3457400 -55.3168 60.2743 -3.78158 60.1786 15.115 -62.0195 -2.6106 -57.8804 18.0891 TIMING: 3457400 CPU: 10407.2, 0.00298498/step Wall: 10407.2, 0.00298498/step, 1.27906 hours remaining, 208.632812 MB of memory in use. ENERGY: 3457400 729.4149 2089.3626 1926.8351 102.6972 -206463.1725 18090.1213 0.0000 0.0000 34392.6841 -149132.0573 300.3599 -183524.7413 -149042.2457 300.4835 123.9420 153.0845 556628.6779 -7.3357 -7.3709 PRESSURE: 3457600 -152.123 118.315 -84.8637 118.315 -124.593 41.3629 -84.8641 41.3621 -69.3539 GPRESSURE: 3457600 -119.623 63.3251 -113.391 189.638 -92.8116 35.5178 -20.512 54.9076 -44.8742 PRESSAVG: 3457600 37.9511 -32.1641 -7.36761 -32.1642 -51.2058 -8.97259 -7.36763 -8.97258 5.39532 GPRESSAVG: 3457600 37.7733 -30.8846 -6.4839 -31.0917 -51.2737 -7.56958 -5.84931 -9.65894 5.47817 TIMING: 3457600 CPU: 10407.8, 0.00300218/step Wall: 10407.8, 0.00300218/step, 1.28627 hours remaining, 208.632812 MB of memory in use. ENERGY: 3457600 680.2172 2097.0467 1944.9457 115.1023 -206058.5228 17502.2099 0.0000 0.0000 34484.8706 -149234.1304 301.1650 -183719.0010 -149134.6886 299.9439 -115.3566 -85.7697 557086.2108 -2.6198 -2.6741 PRESSURE: 3457800 -26.2472 -47.8565 118.872 -47.856 -81.8796 -14.5681 118.873 -14.569 -10.5155 GPRESSURE: 3457800 13.5319 -45.3596 101.942 -67.2723 -94.333 -53.0841 142.833 -22.1697 46.739 PRESSAVG: 3457800 -26.4978 25.3125 44.5697 25.3125 -26.508 -10.854 44.5697 -10.854 53.7532 GPRESSAVG: 3457800 -25.8744 25.3344 42.5944 24.1305 -26.4342 -13.4906 45.568 -9.99534 52.2403 TIMING: 3457800 CPU: 10408.4, 0.00298837/step Wall: 10408.4, 0.00298837/step, 1.28018 hours remaining, 208.632812 MB of memory in use. ENERGY: 3457800 714.4473 2043.5902 1965.3898 106.9474 -205752.1329 17546.5057 0.0000 0.0000 34127.7523 -149247.5003 298.0461 -183375.2526 -149152.3777 298.6823 -39.5474 -11.3541 557020.1079 0.2491 -0.0228 PRESSURE: 3458000 -367.952 60.1285 37.1114 60.1286 -312.932 130.213 37.1109 130.213 -203.27 GPRESSURE: 3458000 -360.544 111.443 -88.6681 -35.9509 -257.697 176.591 124.982 86.8685 -169.43 PRESSAVG: 3458000 -1.85261 -18.3126 27.5909 -18.3127 -24.7648 57.4685 27.5908 57.4686 27.6519 GPRESSAVG: 3458000 -2.42335 -18.867 28.3111 -16.8108 -25.4645 59.2646 26.709 56.1965 28.8985 TIMING: 3458000 CPU: 10409, 0.00298626/step Wall: 10409, 0.00298626/step, 1.27911 hours remaining, 208.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3458000 729.8210 2121.5433 1947.1804 108.4675 -205668.7309 17286.0255 0.0000 0.0000 34218.1206 -149257.5726 298.8354 -183475.6932 -149164.0217 299.1356 -294.7181 -262.5572 558224.8146 0.3448 0.3369 PRESSURE: 3458200 -84.2668 85.7425 58.6159 85.7426 164.299 -0.848135 58.6154 -0.848377 30.2847 GPRESSURE: 3458200 -48.5374 9.052 180.995 166.923 172.136 -7.91981 49.4271 7.91579 84.0746 PRESSAVG: 3458200 -73.1479 21.23 33.6954 21.23 45.3163 5.88919 33.6953 5.88923 47.3584 GPRESSAVG: 3458200 -72.3434 22.8952 34.2787 19.8964 45.5001 5.18571 31.9846 6.40016 46.4863 TIMING: 3458200 CPU: 10409.6, 0.00298578/step Wall: 10409.6, 0.00298578/step, 1.27874 hours remaining, 208.632812 MB of memory in use. ENERGY: 3458200 746.1849 2109.2309 1972.0841 126.8097 -206409.9929 17755.1865 0.0000 0.0000 34303.7838 -149396.7129 299.5835 -183700.4967 -149303.4493 298.6456 36.7723 69.2243 556765.3211 6.5089 6.5477 PRESSURE: 3458400 -9.06415 79.6447 39.6964 79.6455 -222.489 81.4866 39.697 81.4864 0.485713 GPRESSURE: 3458400 24.3762 48.0654 -60.5632 58.1152 -145.383 60.2673 80.6842 58.7299 -8.76139 PRESSAVG: 3458400 -80.9071 38.2004 21.2695 38.2004 -2.28243 16.2418 21.2694 16.2418 93.2247 GPRESSAVG: 3458400 -80.8844 38.2731 20.0245 38.0298 -1.45364 16.7232 22.597 13.1117 92.4877 TIMING: 3458400 CPU: 10410.2, 0.00297788/step Wall: 10410.2, 0.00297788/step, 1.2752 hours remaining, 208.632812 MB of memory in use. ENERGY: 3458400 759.5189 2031.6825 1944.1464 113.8627 -206285.5677 17782.0234 0.0000 0.0000 34320.7497 -149333.5840 299.7316 -183654.3337 -149240.3213 298.4537 -77.0226 -43.2559 557766.3588 3.3451 3.3832 PRESSURE: 3458600 -94.857 6.3093 -92.7737 6.30996 34.9744 -35.2715 -92.7734 -35.2732 -337.745 GPRESSURE: 3458600 -50.2065 -35.3246 -18.5835 61.4813 -12.1325 10.1606 -146.441 -51.7273 -234.944 PRESSAVG: 3458600 67.6195 -6.04637 33.829 -6.04639 22.6535 6.7714 33.8291 6.77128 -36.5507 GPRESSAVG: 3458600 66.4425 -6.26216 35.8047 -6.18162 20.8363 8.33762 33.5532 6.45624 -34.1042 TIMING: 3458600 CPU: 10410.8, 0.00296872/step Wall: 10410.8, 0.00296872/step, 1.27111 hours remaining, 208.632812 MB of memory in use. ENERGY: 3458600 740.9795 2095.9954 1938.1797 112.5076 -206110.8362 17734.0936 0.0000 0.0000 34148.7884 -149340.2920 298.2299 -183489.0804 -149251.2333 298.6687 -132.5426 -99.0944 558465.0028 17.9074 17.7249 PRESSURE: 3458800 -48.7046 -149.338 -43.7557 -149.338 -172.622 38.3803 -43.7548 38.3815 64.9235 GPRESSURE: 3458800 -27.3863 -82.9668 -44.0139 -192.47 -102.526 5.65809 27.2576 83.3643 74.1502 PRESSAVG: 3458800 48.3816 29.5163 -6.8459 29.5164 -37.1651 -13.8728 -6.84594 -13.8728 -2.16185 GPRESSAVG: 3458800 49.7141 29.8673 -7.93966 28.7775 -36.5368 -13.2127 -8.68327 -13.8172 -4.5539 TIMING: 3458800 CPU: 10411.4, 0.00296166/step Wall: 10411.4, 0.00296166/step, 1.26792 hours remaining, 208.632812 MB of memory in use. ENERGY: 3458800 713.1922 2096.3964 1926.1548 108.5945 -205915.2692 17677.7630 0.0000 0.0000 34024.8233 -149368.3450 297.1472 -183393.1683 -149272.1482 299.2364 -52.1345 -18.5874 558371.6261 3.0182 2.8745 PRESSURE: 3459000 -0.228013 105.385 182.332 105.385 -44.2137 236.359 182.332 236.359 -78.8541 GPRESSURE: 3459000 1.94047 90.5112 -6.58376 110.121 77.7557 235.776 170.91 238.711 -96.393 PRESSAVG: 3459000 -3.12601 -15.3604 20.7051 -15.3603 -24.509 0.0532255 20.7051 0.0532461 -13.9361 GPRESSAVG: 3459000 -4.80257 -16.2156 18.4419 -15.5471 -23.5797 -1.30873 23.0084 2.71084 -13.2804 TIMING: 3459000 CPU: 10412, 0.00298137/step Wall: 10412, 0.00298137/step, 1.27619 hours remaining, 208.632812 MB of memory in use. ENERGY: 3459000 744.0519 2086.4145 1942.1846 112.4860 -206545.7056 17783.5328 0.0000 0.0000 34151.7839 -149725.2520 298.2560 -183877.0359 -149632.8604 298.0999 -41.0986 -5.5656 557146.5889 -13.8570 -13.8875 PRESSURE: 3459200 -7.52271 5.9947 68.9965 5.9968 23.4508 -34.7492 68.9956 -34.7511 124.677 GPRESSURE: 3459200 64.838 60.5455 163.71 18.4925 42.2057 70.0704 10.7846 -51.0594 127.409 PRESSAVG: 3459200 -9.96181 -33.5479 -5.87616 -33.5479 72.1782 40.7658 -5.87614 40.7658 -89.7029 GPRESSAVG: 3459200 -9.10772 -32.7089 -5.38051 -32.309 71.7479 39.0631 -6.72564 41.9028 -90.1827 TIMING: 3459200 CPU: 10412.6, 0.00297878/step Wall: 10412.6, 0.00297878/step, 1.27492 hours remaining, 208.632812 MB of memory in use. ENERGY: 3459200 796.0622 2020.1601 1929.8498 111.8154 -206849.2100 17969.1286 0.0000 0.0000 34162.4036 -149859.7904 298.3488 -184022.1940 -149761.9878 297.9384 46.8685 78.1508 555694.1302 -9.1622 -9.1808 PRESSURE: 3459400 -41.9695 -165.249 46.0986 -165.249 -185.839 104.242 46.0993 104.242 71.9617 GPRESSURE: 3459400 -20.3085 -199.199 -15.1671 -102.532 -177.863 -30.6315 78.0624 146.25 121.479 PRESSAVG: 3459400 -48.2387 -0.497136 5.57116 -0.497197 66.0292 64.9017 5.57128 64.9017 18.3017 GPRESSAVG: 3459400 -49.7301 -0.792609 6.60188 -0.170982 66.9236 65.3887 5.27783 63.131 18.6144 TIMING: 3459400 CPU: 10413.2, 0.00299163/step Wall: 10413.2, 0.00299163/step, 1.28025 hours remaining, 208.632812 MB of memory in use. ENERGY: 3459400 702.2121 2046.6971 1973.0765 116.0802 -206499.3491 17778.2287 0.0000 0.0000 34075.7202 -149807.3341 297.5917 -183883.0543 -149715.2502 298.3499 -51.9489 -25.5643 556411.8880 12.0307 11.9360 PRESSURE: 3459600 -148.96 -57.5798 40.7763 -57.5809 -172.173 -197.799 40.7741 -197.799 -165.906 GPRESSURE: 3459600 -95.1799 -92.1246 62.5255 17.9575 -167.363 -201.894 9.60231 -166.109 -136.936 PRESSAVG: 3459600 -37.9465 -24.79 37.1031 -24.79 -16.0613 -7.38409 37.1031 -7.38404 61.314 GPRESSAVG: 3459600 -37.5831 -24.3759 35.0512 -23.0377 -16.858 -7.05491 36.9609 -8.25718 61.353 TIMING: 3459600 CPU: 10413.8, 0.00297967/step Wall: 10413.8, 0.00297967/step, 1.27497 hours remaining, 208.632812 MB of memory in use. ENERGY: 3459600 744.8956 2034.2426 1969.8894 114.7888 -206351.6608 17586.4111 0.0000 0.0000 34073.4248 -149828.0086 297.5717 -183901.4334 -149736.7797 297.7592 -162.3463 -133.1597 556872.6309 2.4354 2.3040 PRESSURE: 3459800 -213.207 4.52534 -223.196 4.52638 -234.334 18.7801 -223.195 18.7814 -296.798 GPRESSURE: 3459800 -183.743 -106.42 -251.574 2.2548 -146.132 47.3203 -214.582 13.6122 -314.105 PRESSAVG: 3459800 -4.33909 0.216515 -31.403 0.21652 -6.65439 -37.0359 -31.403 -37.0358 16.5034 GPRESSAVG: 3459800 -3.17952 0.217656 -28.5833 -2.86134 -6.2934 -37.0299 -30.2505 -35.0858 15.8697 TIMING: 3459800 CPU: 10414.3, 0.00296675/step Wall: 10414.3, 0.00296675/step, 1.26927 hours remaining, 208.632812 MB of memory in use. ENERGY: 3459800 737.5766 2071.9842 1937.4265 121.7946 -206218.7860 17484.1804 0.0000 0.0000 34158.2697 -149707.5540 298.3127 -183865.8237 -149611.2267 297.7201 -248.1132 -214.6599 556477.9264 1.8366 2.1323 PRESSURE: 3460000 65.6987 53.2869 -92.1869 53.2863 -24.1983 -52.9434 -92.1858 -52.9448 -19.395 GPRESSURE: 3460000 8.49952 41.0581 -85.9705 24.0345 20.5513 -49.5668 -91.0805 -14.1194 97.8645 PRESSAVG: 3460000 -41.4558 2.49927 -52.3625 2.49919 39.3618 -10.172 -52.3625 -10.1721 -16.6309 GPRESSAVG: 3460000 -42.5291 -0.692918 -53.8973 4.67866 39.4742 -11.1248 -54.1973 -10.6749 -15.6316 TIMING: 3460000 CPU: 10414.9, 0.0029845/step Wall: 10414.9, 0.0029845/step, 1.2767 hours remaining, 208.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3460000 755.8116 2029.0724 1946.1034 100.4994 -206495.7209 18013.2753 0.0000 0.0000 34072.3635 -149578.5953 297.5624 -183650.9588 -149486.3541 298.6151 7.3685 42.3051 556715.3025 -6.2416 -6.2288 PRESSURE: 3460200 -229.259 106.121 141.811 106.122 96.4042 43.6364 141.811 43.636 -96.1097 GPRESSURE: 3460200 -151.426 145.718 106.475 100.565 108.374 54.9472 133.67 8.17268 -78.259 PRESSAVG: 3460200 25.6312 41.893 -4.38807 41.8931 -14.1946 -11.3237 -4.38814 -11.3238 -30.0315 GPRESSAVG: 3460200 27.2296 44.6972 -4.73475 39.7915 -14.7348 -10.0898 -1.41987 -11.8457 -31.0385 TIMING: 3460200 CPU: 10415.5, 0.00296211/step Wall: 10415.5, 0.00296211/step, 1.26696 hours remaining, 208.632812 MB of memory in use. ENERGY: 3460200 720.2816 2102.3230 1942.2637 123.3588 -206355.2393 17754.7248 0.0000 0.0000 34225.2881 -149486.9993 298.8980 -183712.2874 -149387.7191 298.3842 -76.3214 -40.4370 556965.9101 -6.1983 -6.1812 LDB: ============= START OF LOAD BALANCING ============== 10419.1 LDB: ============== END OF LOAD BALANCING =============== 10419.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10419.1 LDB: ============= START OF LOAD BALANCING ============== 10419.4 LDB: Largest compute 4773 load 0.031349 is 26.5% of average load 0.118184 LDB: Average compute 0.001724 is 1.5% of average load 0.118184 LDB: TIME 10419.4 LOAD: AVG 0.118184 MAX 0.203201 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.918 MB LDB: TIME 10419.4 LOAD: AVG 0.118184 MAX 0.203201 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.918 MB LDB: TIME 10419.4 LOAD: AVG 0.118184 MAX 0.203201 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.918 MB LDB: ============== END OF LOAD BALANCING =============== 10419.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10419.4 PRESSURE: 3460400 166.236 -23.7029 -65.854 -23.7032 -276.878 153.534 -65.855 153.533 -154.68 GPRESSURE: 3460400 207.361 -68.3398 -114.171 67.6682 -279.42 126.917 -121.417 93.5302 -80.5356 PRESSAVG: 3460400 -78.2074 32.7507 -14.2289 32.7507 15.5372 3.23299 -14.2289 3.23286 43.8126 GPRESSAVG: 3460400 -79.0332 32.551 -13.0842 33.3949 15.0247 4.10879 -17.464 2.89308 44.9937 TIMING: 3460400 CPU: 10416.1, 0.0030315/step Wall: 10416.1, 0.0030315/step, 1.29647 hours remaining, 208.429688 MB of memory in use. ENERGY: 3460400 779.9937 2071.9845 1950.3760 119.8712 -206468.2415 17836.7775 0.0000 0.0000 34130.4994 -149578.7393 298.0701 -183709.2387 -149488.3971 298.5469 -88.4408 -50.8648 557233.2337 -6.2859 -6.3383 PRESSURE: 3460600 -112.159 -184.715 -78.275 -184.716 -84.4191 159.675 -78.2751 159.675 -150.531 GPRESSURE: 3460600 -97.8191 -175.661 -131.62 -227.43 -49.5112 116.357 -21.6522 172.86 -101.108 PRESSAVG: 3460600 0.151755 5.34338 -5.36226 5.34341 -10.1613 29.3975 -5.36223 29.3975 -3.72728 GPRESSAVG: 3460600 -0.662519 5.64541 -6.27555 4.40279 -9.53169 30.1006 -3.76453 26.555 -3.83424 TIMING: 3460600 CPU: 10416.7, 0.00297936/step Wall: 10416.7, 0.00297936/step, 1.27401 hours remaining, 208.429688 MB of memory in use. ENERGY: 3460600 712.1571 2150.7590 1923.9147 123.5527 -206208.4164 17585.7328 0.0000 0.0000 34156.0956 -149556.2045 298.2937 -183712.3001 -149457.6995 298.6949 -115.7027 -82.8128 557010.5322 -4.5789 -4.6762 PRESSURE: 3460800 -123.21 -22.9702 -59.9666 -22.97 -214.892 -22.6869 -59.9662 -22.6867 138.018 GPRESSURE: 3460800 -126.863 52.8924 5.93621 -7.98988 -137.764 37.8225 -114.321 -58.6018 167.657 PRESSAVG: 3460800 -36.0751 -8.41576 45.5801 -8.41577 -16.6624 -27.6636 45.58 -27.6635 18.61 GPRESSAVG: 3460800 -36.2475 -8.341 45.5323 -8.80631 -16.6216 -29.7247 44.8667 -22.5542 18.5589 TIMING: 3460800 CPU: 10417.3, 0.00297223/step Wall: 10417.3, 0.00297223/step, 1.27079 hours remaining, 208.429688 MB of memory in use. ENERGY: 3460800 718.8186 2065.8179 1946.5026 131.9372 -205986.4079 17670.0225 0.0000 0.0000 33962.9433 -149490.3658 296.6068 -183453.3091 -149389.6745 298.8091 -66.6947 -32.3230 557001.6366 -11.3758 -11.4367 PRESSURE: 3461000 -5.20721 -95.9725 6.79286 -95.9725 284.391 -46.427 6.79177 -46.428 -60.8157 GPRESSURE: 3461000 50.3663 -136.661 -21.8913 -85.0517 325.176 -101.164 107.281 -100.519 -53.309 PRESSAVG: 3461000 -53.8867 12.1163 3.96541 12.1163 43.1718 -58.3889 3.96538 -58.3889 3.76522 GPRESSAVG: 3461000 -53.6263 11.0994 2.95607 14.1672 43.8363 -57.7528 4.52697 -60.473 2.85059 TIMING: 3461000 CPU: 10417.9, 0.00295701/step Wall: 10417.9, 0.00295701/step, 1.26412 hours remaining, 208.429688 MB of memory in use. ENERGY: 3461000 708.1659 2082.2741 1950.3600 115.2419 -206657.6148 17930.2700 0.0000 0.0000 34475.0414 -149396.2614 301.0791 -183871.3028 -149299.2301 298.7074 72.7895 107.4110 555512.2904 -2.3165 -2.3131 PRESSURE: 3461200 -0.82041 113.298 30.9036 113.298 -107.868 -63.3368 30.9023 -63.3364 74.3057 GPRESSURE: 3461200 -42.2921 95.3514 -21.9593 170.119 -45.5333 -166.833 146.08 -1.49085 153.041 PRESSAVG: 3461200 -58.6168 -13.4467 53.8204 -13.4466 62.2607 -38.6552 53.8203 -38.6553 30.2689 GPRESSAVG: 3461200 -58.1653 -13.4626 55.5564 -13.7889 62.6201 -38.9195 54.4539 -37.6437 29.9996 TIMING: 3461200 CPU: 10418.5, 0.00298112/step Wall: 10418.5, 0.00298112/step, 1.27426 hours remaining, 208.429688 MB of memory in use. ENERGY: 3461200 739.5591 2093.3530 1921.0539 112.9709 -206264.6575 17834.8399 0.0000 0.0000 34181.2922 -149381.5885 298.5137 -183562.8807 -149288.5291 299.1831 -11.4608 21.7384 556888.9450 11.3043 11.4848 PRESSURE: 3461400 101.023 -72.9814 50.954 -72.9812 24.3208 94.1636 50.9533 94.164 169.927 GPRESSURE: 3461400 129.922 2.63546 23.931 -30.0507 67.6656 80.6721 114.552 127.488 196.79 PRESSAVG: 3461400 19.4419 31.0345 37.9913 31.0344 -48.0037 58.9251 37.9913 58.925 74.4316 GPRESSAVG: 3461400 19.6775 33.3733 37.5673 29.9451 -49.7978 60.11 38.1089 57.4068 75.7168 TIMING: 3461400 CPU: 10419.1, 0.00298378/step Wall: 10419.1, 0.00298378/step, 1.27524 hours remaining, 208.429688 MB of memory in use. ENERGY: 3461400 738.5556 2069.2359 1947.0251 99.7119 -206698.6210 18147.5540 0.0000 0.0000 34303.9846 -149392.5538 299.5852 -183696.5384 -149306.9693 299.3569 98.4236 131.4593 557144.7311 15.2899 15.1988 PRESSURE: 3461600 117.027 93.9228 -26.1599 93.9215 -265.399 -22.1981 -26.1595 -22.198 -184.415 GPRESSURE: 3461600 133.265 79.026 -92.5408 113.404 -241.279 -12.1526 39.6746 -15.5355 -132.253 PRESSAVG: 3461600 82.1015 40.1929 33.9068 40.1929 -78.8232 29.0296 33.9067 29.0296 -3.05045 GPRESSAVG: 3461600 82.1645 38.8028 33.29 42.0648 -77.9642 28.8284 33.5499 29.3079 -4.0588 TIMING: 3461600 CPU: 10419.7, 0.0030053/step Wall: 10419.7, 0.0030053/step, 1.28427 hours remaining, 208.632812 MB of memory in use. ENERGY: 3461600 771.7987 2086.3289 1974.0159 110.2889 -205861.4021 17513.8829 0.0000 0.0000 34267.4063 -149137.6806 299.2658 -183405.0869 -149039.0635 299.5534 -110.9290 -80.0892 557064.5466 0.0759 0.0472 PRESSURE: 3461800 -35.4628 -3.41814 97.0205 -3.41879 -107.705 -24.6528 97.02 -24.6512 -176.891 GPRESSURE: 3461800 -1.6415 -61.8626 31.9862 0.674834 -75.0418 -1.11737 -1.35679 14.3405 -150.887 PRESSAVG: 3461800 30.8257 18.7075 10.4564 18.7075 9.3986 -1.67437 10.4565 -1.67436 -33.5422 GPRESSAVG: 3461800 31.4352 17.5932 11.7965 17.2006 8.30412 -3.46498 9.53383 0.297545 -33.3021 TIMING: 3461800 CPU: 10420.3, 0.00299154/step Wall: 10420.3, 0.00299154/step, 1.27822 hours remaining, 208.632812 MB of memory in use. ENERGY: 3461800 749.2173 2141.5089 1936.0067 123.7130 -206589.5842 17907.3962 0.0000 0.0000 34583.2354 -149148.5068 302.0240 -183731.7422 -149052.1846 299.5553 -106.6864 -75.8568 557186.5371 2.2274 2.1457 PRESSURE: 3462000 125.587 -55.5413 -113.305 -55.5398 21.3958 26.0331 -113.306 26.0335 51.9093 GPRESSURE: 3462000 95.897 -77.7473 -114.726 -107.151 129.944 6.78133 -222.394 53.1958 77.0655 PRESSAVG: 3462000 -85.9552 -22.5976 48.6337 -22.5977 91.0059 -14.207 48.6336 -14.207 -12.4552 GPRESSAVG: 3462000 -86.7519 -20.3416 47.8954 -22.7566 92.3649 -12.2638 47.8566 -15.6351 -13.0881 TIMING: 3462000 CPU: 10420.9, 0.00301166/step Wall: 10420.9, 0.00301166/step, 1.28665 hours remaining, 208.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3462000 747.6941 2034.2610 1934.1240 119.2352 -206295.5682 17884.3212 0.0000 0.0000 34489.4761 -149086.4566 301.2052 -183575.9327 -148987.5246 299.4853 66.2975 100.9689 556632.7041 -2.4681 -2.4917 PRESSURE: 3462200 -204.773 -23.2333 -32.8539 -23.2331 19.7587 -1.45564 -32.8537 -1.45478 30.3473 GPRESSURE: 3462200 -170.079 57.1912 64.4666 -126.317 65.2153 -14.3385 -36.3098 -8.76716 47.1368 PRESSAVG: 3462200 57.4313 -27.0822 5.51097 -27.0822 -10.4818 -46.4884 5.51108 -46.4883 -34.551 GPRESSAVG: 3462200 57.0361 -27.8937 6.01359 -26.3446 -10.5811 -47.8672 6.53226 -45.6715 -34.1593 TIMING: 3462200 CPU: 10421.5, 0.00299353/step Wall: 10421.5, 0.00299353/step, 1.27873 hours remaining, 208.632812 MB of memory in use. ENERGY: 3462200 760.1979 2077.0069 1977.4568 124.3919 -205929.7010 17653.0724 0.0000 0.0000 34343.7573 -148993.8177 299.9326 -183337.5751 -148901.1460 299.9775 -51.5558 -19.2422 557715.9270 4.1328 4.0986 PRESSURE: 3462400 -64.3116 -207.418 183.918 -207.419 -105.191 -41.5614 183.917 -41.5594 -103.563 GPRESSURE: 3462400 -26.108 -171.868 163.534 -205.231 -21.0393 18.2075 191.914 -96.4885 -138.453 PRESSAVG: 3462400 -23.5652 -29.3861 -6.53013 -29.3862 17.6886 -4.9523 -6.53021 -4.9522 -28.8265 GPRESSAVG: 3462400 -22.5581 -28.4127 -6.53555 -30.562 16.7217 -4.60833 -6.7485 -5.89929 -29.2962 TIMING: 3462400 CPU: 10422.1, 0.00300565/step Wall: 10422.1, 0.00300565/step, 1.28375 hours remaining, 208.632812 MB of memory in use. ENERGY: 3462400 761.9314 2088.8139 1939.6671 118.3886 -206195.1021 17689.6684 0.0000 0.0000 34494.6950 -149101.9378 301.2508 -183596.6328 -148997.9880 300.2930 -91.0221 -61.8668 556265.3701 -11.5677 -11.7109 PRESSURE: 3462600 -73.8919 -196.793 55.2581 -196.791 193.399 -88.5659 55.2577 -88.5668 -151.622 GPRESSURE: 3462600 -65.8624 -221.444 30.7497 -164.434 203.322 -18.1404 41.9751 -134.987 -73.2832 PRESSAVG: 3462600 -9.75529 -47.2111 -36.4309 -47.2111 -1.46262 -31.1697 -36.4309 -31.1697 -0.371053 GPRESSAVG: 3462600 -10.2168 -48.4072 -37.5726 -47.27 -2.35224 -31.5285 -35.3923 -30.2703 0.966178 TIMING: 3462600 CPU: 10422.7, 0.00301356/step Wall: 10422.7, 0.00301356/step, 1.28696 hours remaining, 208.632812 MB of memory in use. ENERGY: 3462600 709.2416 2073.0610 1930.5807 113.3667 -206250.0262 17793.5893 0.0000 0.0000 34450.1977 -149179.9893 300.8621 -183630.1869 -149077.7155 299.6743 -10.7049 21.3922 556651.8397 -3.8630 -3.8676 PRESSURE: 3462800 -123.207 164.97 75.8214 164.969 -190.02 77.5673 75.821 77.5678 -317.379 GPRESSURE: 3462800 -140.881 139.192 87.266 185.864 -79.5008 113.73 80.2729 31.2422 -312.362 PRESSAVG: 3462800 88.7309 -0.269847 14.2189 -0.269774 28.0219 -44.5672 14.219 -44.5673 -103.786 GPRESSAVG: 3462800 87.9432 -0.145938 14.7465 2.05161 29.1084 -43.5547 15.4099 -45.8343 -104.259 TIMING: 3462800 CPU: 10423.3, 0.00300748/step Wall: 10423.3, 0.00300748/step, 1.28419 hours remaining, 208.632812 MB of memory in use. ENERGY: 3462800 745.8042 2048.7168 1965.7461 121.7044 -205837.0002 17488.8664 0.0000 0.0000 34144.4995 -149321.6629 298.1924 -183466.1624 -149222.5704 299.1722 -210.2022 -177.5812 557343.4492 4.3222 4.2642 PRESSURE: 3463000 -25.0267 -103.101 79.3086 -103.101 213.129 -90.3414 79.3083 -90.3432 134.179 GPRESSURE: 3463000 19.5284 -109.843 150.044 -87.944 269.627 14.563 46.3736 -138.095 136.589 PRESSAVG: 3463000 -37.1918 -5.83819 -4.40198 -5.83813 69.4327 -87.7975 -4.40197 -87.7975 -9.23761 GPRESSAVG: 3463000 -36.971 -5.99821 -4.09031 -7.99129 68.8727 -89.3966 -7.94501 -87.4206 -8.62464 TIMING: 3463000 CPU: 10423.9, 0.00298214/step Wall: 10423.9, 0.00298214/step, 1.27321 hours remaining, 208.632812 MB of memory in use. ENERGY: 3463000 682.5387 2054.8345 1959.3027 114.9267 -206479.5513 17967.3031 0.0000 0.0000 34278.9754 -149421.6703 299.3668 -183700.6457 -149324.4689 298.7729 107.4270 141.9148 556070.4284 7.6677 7.7590 PRESSURE: 3463200 -39.4283 -70.8935 -115.095 -70.8934 -38.1699 -219.515 -115.097 -219.515 -16.9844 GPRESSURE: 3463200 48.2993 -24.9168 -72.0304 -50.908 -8.6076 -213.049 -58.1912 -153.932 -30.4494 PRESSAVG: 3463200 -13.9585 -43.1392 8.25842 -43.1393 7.58992 -51.2613 8.25841 -51.2611 -5.74978 GPRESSAVG: 3463200 -12.8768 -43.0912 7.76512 -42.7819 8.52942 -50.8323 11.0839 -52.345 -7.24866 TIMING: 3463200 CPU: 10424.5, 0.0029984/step Wall: 10424.5, 0.0029984/step, 1.27998 hours remaining, 208.632812 MB of memory in use. ENERGY: 3463200 771.2417 2036.0539 1925.9252 109.8391 -206173.7268 17845.8535 0.0000 0.0000 34082.1007 -149402.7127 297.6475 -183484.8134 -149302.1501 299.4634 -31.5275 3.0808 557309.8980 -4.0395 -3.8653 PRESSURE: 3463400 -75.1102 192.5 -63.1412 192.499 -112.061 257.914 -63.1416 257.913 125.111 GPRESSURE: 3463400 -36.165 229.127 -109.547 243.99 -103.369 249.707 -38.1331 199.315 179.736 PRESSAVG: 3463400 5.77089 17.5321 -47.212 17.5321 28.4439 5.53162 -47.2119 5.53168 -8.19476 GPRESSAVG: 3463400 4.992 16.7926 -49.848 18.1259 28.0781 7.6838 -47.5288 5.16303 -7.59718 TIMING: 3463400 CPU: 10425.1, 0.00304032/step Wall: 10425.1, 0.00304032/step, 1.29771 hours remaining, 208.632812 MB of memory in use. ENERGY: 3463400 775.6121 2069.9865 1907.3142 100.7512 -206414.6051 17915.4539 0.0000 0.0000 34197.0784 -149448.4088 298.6516 -183645.4871 -149352.3287 298.2375 -20.6869 13.4006 558016.2887 8.6733 8.4910 PRESSURE: 3463600 -116.617 -261.695 -116.486 -261.695 -132.154 -148.902 -116.486 -148.902 -31.4102 GPRESSURE: 3463600 -68.6658 -276.955 -85.6702 -239.393 -101.599 -134.659 -53.1753 -129.654 -17.8681 PRESSAVG: 3463600 42.0084 11.487 10.4542 11.4869 16.0607 26.4478 10.4543 26.4478 -21.8379 GPRESSAVG: 3463600 41.0745 11.1661 13.1874 12.1134 17.0482 25.1495 10.1257 27.3141 -21.9971 TIMING: 3463600 CPU: 10425.7, 0.00299329/step Wall: 10425.7, 0.00299329/step, 1.27747 hours remaining, 208.632812 MB of memory in use. ENERGY: 3463600 727.2724 2094.6485 1963.7416 119.0934 -206468.3092 17728.2073 0.0000 0.0000 34367.8761 -149467.4699 300.1432 -183835.3460 -149368.6879 298.7565 -93.3938 -62.7111 556653.6877 12.0771 12.0418 PRESSURE: 3463800 -1.54836 -171.131 11.0479 -171.132 -44.8318 66.9499 11.0486 66.9499 -59.3398 GPRESSURE: 3463800 55.2091 -132.658 -58.4203 -122.799 -9.44726 98.5514 53.7923 73.8994 -39.599 PRESSAVG: 3463800 63.6503 -32.8577 -34.843 -32.8577 -2.33165 -54.6697 -34.8429 -54.6697 -55.5931 GPRESSAVG: 3463800 63.406 -30.7363 -35.0748 -34.9373 -2.88581 -54.9357 -34.118 -54.114 -54.17 TIMING: 3463800 CPU: 10426.3, 0.00300547/step Wall: 10426.3, 0.00300547/step, 1.2825 hours remaining, 208.632812 MB of memory in use. ENERGY: 3463800 753.6850 2057.2286 1941.0064 102.7564 -206299.2775 17776.9278 0.0000 0.0000 34186.7956 -149480.8776 298.5618 -183667.6732 -149388.4897 298.4671 -35.2400 2.0543 556164.1304 1.9085 2.1167 PRESSURE: 3464000 -111.07 -111.629 -20.4012 -111.629 73.8885 41.4792 -20.4022 41.4794 4.66984 GPRESSURE: 3464000 -26.3139 -128.143 70.2012 -53.2612 101.766 61.6224 -77.0831 -37.7262 -8.8706 PRESSAVG: 3464000 17.7184 -20.7936 17.0798 -20.7937 30.7328 -42.9517 17.0798 -42.9518 -43.2615 GPRESSAVG: 3464000 18.9447 -22.8149 15.8008 -19.3185 30.5451 -43.5846 17.4696 -44.3032 -44.67 TIMING: 3464000 CPU: 10426.9, 0.00300474/step Wall: 10426.9, 0.00300474/step, 1.28202 hours remaining, 208.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3464000 742.4682 2087.4293 1935.2071 110.4605 -206129.2448 17603.3973 0.0000 0.0000 34251.2012 -149399.0812 299.1243 -183650.2825 -149302.2334 298.5710 -10.8370 22.1939 555679.3492 1.7299 1.6066 PRESSURE: 3464200 -210.223 -0.875811 -38.9406 -0.8764 -131.236 -47.5917 -38.9407 -47.5908 -384.157 GPRESSURE: 3464200 -159.706 -7.25847 -36.1001 -72.1689 -98.1857 -27.9517 -4.92124 -16.6956 -372.174 PRESSAVG: 3464200 -15.8955 -10.4376 -8.10746 -10.4376 8.30818 -44.8139 -8.10745 -44.8138 -1.45589 GPRESSAVG: 3464200 -18.0043 -8.94429 -6.59893 -11.6847 9.16736 -44.7565 -10.8177 -43.6932 -0.184541 TIMING: 3464200 CPU: 10427.5, 0.00300693/step Wall: 10427.5, 0.00300693/step, 1.28279 hours remaining, 208.632812 MB of memory in use. ENERGY: 3464200 727.3743 2050.1151 1942.1532 125.0154 -206070.5888 17597.1560 0.0000 0.0000 34208.1302 -149420.6446 298.7481 -183628.7749 -149321.0113 298.6482 -241.8719 -210.0218 557879.7075 -3.0144 -3.0072 LDB: ============= START OF LOAD BALANCING ============== 10431 LDB: ============== END OF LOAD BALANCING =============== 10431 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10431 LDB: ============= START OF LOAD BALANCING ============== 10431.3 LDB: Largest compute 4773 load 0.029566 is 25.0% of average load 0.118128 LDB: Average compute 0.001718 is 1.5% of average load 0.118128 LDB: TIME 10431.4 LOAD: AVG 0.118128 MAX 0.204051 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.715 MB LDB: TIME 10431.4 LOAD: AVG 0.118128 MAX 0.204051 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.781 MB LDB: TIME 10431.4 LOAD: AVG 0.118128 MAX 0.204051 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.781 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10431.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10431.4 PRESSURE: 3464400 46.1422 66.3885 97.5397 66.3883 -161.342 -0.751172 97.5402 -0.750687 -121.964 GPRESSURE: 3464400 27.5197 73.5433 79.8526 -7.05289 -85.1842 -47.1392 85.7401 76.2628 -85.8673 PRESSAVG: 3464400 45.9434 -1.15787 7.34806 -1.15785 -34.7552 -17.2285 7.34813 -17.2285 37.1215 GPRESSAVG: 3464400 46.6999 -1.70322 6.15607 -2.29688 -33.8524 -15.5767 9.15082 -17.4385 35.9379 TIMING: 3464400 CPU: 10428.1, 0.00304387/step Wall: 10428.1, 0.00304387/step, 1.29838 hours remaining, 209.257812 MB of memory in use. ENERGY: 3464400 732.9317 2018.4132 1936.7213 123.3179 -206077.0843 17682.3286 0.0000 0.0000 34168.3406 -149415.0310 298.4006 -183583.3717 -149314.8778 298.8171 -79.0545 -47.8439 558112.4971 16.1032 16.2618 PRESSURE: 3464600 -45.4755 -55.9002 6.81979 -55.9 -392.394 128.449 6.81912 128.449 10.7285 GPRESSURE: 3464600 -45.6981 -12.0821 46.8881 -140.853 -326.136 136.194 -6.25329 105.715 50.978 PRESSAVG: 3464600 -46.4581 -19.9652 2.83974 -19.9651 -65.2202 15.8195 2.83983 15.8196 90.8358 GPRESSAVG: 3464600 -46.6814 -19.8024 4.626 -20.1758 -66.9637 17.6203 3.93645 16.9016 92.2887 TIMING: 3464600 CPU: 10428.7, 0.00301502/step Wall: 10428.7, 0.00301503/step, 1.28591 hours remaining, 209.257812 MB of memory in use. ENERGY: 3464600 757.3204 2071.9322 1953.7676 98.5575 -205761.8948 17602.7437 0.0000 0.0000 33944.5304 -149333.0428 296.4460 -183277.5733 -149239.9367 297.7761 -142.3802 -106.9521 559200.6189 -6.9475 -7.1188 PRESSURE: 3464800 -274.127 6.62219 52.6535 6.62175 -190.048 111.871 52.6528 111.872 -266.133 GPRESSURE: 3464800 -280.947 47.7764 88.2445 7.90454 -109.844 140.006 57.3573 32.2913 -227.397 PRESSAVG: 3464800 -5.71491 36.2142 -48.257 36.2142 -62.1286 44.4666 -48.257 44.4665 63.2644 GPRESSAVG: 3464800 -4.96329 35.4188 -48.2523 39.6174 -62.734 41.4551 -49.3133 43.2181 63.2769 TIMING: 3464800 CPU: 10429.3, 0.00297585/step Wall: 10429.3, 0.00297585/step, 1.26904 hours remaining, 209.519531 MB of memory in use. ENERGY: 3464800 727.5924 2064.8523 1960.0121 120.4009 -206096.4095 17561.7512 0.0000 0.0000 34244.1758 -149417.6247 299.0629 -183661.8006 -149321.7663 298.3015 -243.4357 -206.0628 558262.1993 -1.5263 -1.4735 PRESSURE: 3465000 24.5452 -105.429 115.171 -105.43 -57.0855 40.3451 115.171 40.3465 147.295 GPRESSURE: 3465000 80.341 15.2452 40.4769 -143.721 16.9831 -47.4608 43.9496 30.7614 121.127 PRESSAVG: 3465000 -0.924095 -90.4369 -41.2251 -90.4369 32.458 66.1326 -41.2252 66.1325 27.0096 GPRESSAVG: 3465000 -2.32973 -87.7685 -40.5506 -93.1567 32.824 64.7143 -42.2164 67.917 28.1989 TIMING: 3465000 CPU: 10429.9, 0.00296057/step Wall: 10429.9, 0.00296057/step, 1.26236 hours remaining, 209.519531 MB of memory in use. ENERGY: 3465000 782.7777 2072.4102 1941.0081 107.8025 -206297.5162 18026.7740 0.0000 0.0000 33955.5308 -149411.2129 296.5421 -183366.7437 -149315.5867 299.5056 38.2516 72.8171 557127.9637 19.5145 19.5644 PRESSURE: 3465200 204.51 -122.815 -128.673 -122.815 -215.572 -171.705 -128.674 -171.705 -53.2817 GPRESSURE: 3465200 265.717 -143.036 -6.23703 -154.233 -183.155 -168.562 -141.498 -145.661 -47.5075 PRESSAVG: 3465200 4.63033 -45.5874 -46.763 -45.5874 -46.7939 14.9623 -46.7629 14.9623 16.459 GPRESSAVG: 3465200 6.61413 -45.6907 -49.0026 -45.6032 -45.8458 16.1222 -42.8227 14.6231 13.6455 TIMING: 3465200 CPU: 10430.5, 0.00299415/step Wall: 10430.5, 0.00299415/step, 1.27651 hours remaining, 209.519531 MB of memory in use. ENERGY: 3465200 705.7035 2048.2089 1964.1489 105.3088 -206310.9335 17649.9791 0.0000 0.0000 34487.4041 -149350.1801 301.1871 -183837.5842 -149259.1658 299.2859 -21.4480 11.6846 555946.4861 -8.5682 -8.5287 PRESSURE: 3465400 -29.4925 60.8243 21.8669 60.8247 -288.394 260.377 21.8669 260.378 -216.878 GPRESSURE: 3465400 -27.3242 130.964 117.756 -4.40236 -215.796 267.434 -77.1865 219.843 -188.489 PRESSAVG: 3465400 10.4614 -0.425126 -46.5483 -0.42508 -40.4299 -4.73342 -46.5483 -4.73354 27.0481 GPRESSAVG: 3465400 9.48318 -3.1324 -45.0564 0.872216 -40.4684 -2.69747 -48.1858 -7.37082 28.5473 TIMING: 3465400 CPU: 10431.1, 0.00301198/step Wall: 10431.1, 0.00301198/step, 1.28394 hours remaining, 209.519531 MB of memory in use. ENERGY: 3465400 766.6312 2028.8804 1936.1632 118.8603 -206091.5307 17444.9937 0.0000 0.0000 34437.1443 -149358.8576 300.7481 -183796.0019 -149263.4316 299.4801 -178.2551 -143.8697 555406.7629 -0.9735 -0.8127 PRESSURE: 3465600 -56.8111 15.4396 9.15516 15.4408 -51.4037 44.6945 9.15556 44.6941 74.3843 GPRESSURE: 3465600 -35.1495 19.1862 22.5539 -28.3769 -38.5569 50.2916 -35.6453 -7.89578 144.478 PRESSAVG: 3465600 0.589504 5.28144 -52.0206 5.28133 7.04273 61.5709 -52.0206 61.571 7.43996 GPRESSAVG: 3465600 0.974477 7.40921 -53.7461 2.96703 7.57268 59.7588 -50.7475 62.8753 6.99665 TIMING: 3465600 CPU: 10431.7, 0.00299659/step Wall: 10431.7, 0.00299659/step, 1.27721 hours remaining, 209.519531 MB of memory in use. ENERGY: 3465600 705.1293 2052.0970 1963.0096 108.6252 -206002.1812 17662.5511 0.0000 0.0000 34285.9507 -149224.8182 299.4277 -183510.7690 -149129.8181 299.1336 -11.2768 23.5906 555232.8289 5.0241 5.1813 PRESSURE: 3465800 -41.8203 -18.6606 -119.095 -18.6588 73.2492 199.964 -119.095 199.962 41.6809 GPRESSURE: 3465800 22.8256 -109.537 -173.368 26.3945 116.33 141.475 -79.1856 141.621 34.7506 PRESSAVG: 3465800 40.816 10.6945 -32.7396 10.6946 -8.27585 39.0387 -32.7395 39.0388 5.14789 GPRESSAVG: 3465800 39.4387 10.2788 -30.1351 13.2941 -7.75369 38.6303 -36.0214 41.2437 6.09212 TIMING: 3465800 CPU: 10432.3, 0.00297319/step Wall: 10432.3, 0.00297319/step, 1.26707 hours remaining, 209.519531 MB of memory in use. ENERGY: 3465800 753.5517 2050.6016 1939.6424 104.3697 -205935.2290 17761.6220 0.0000 0.0000 34218.8043 -149106.6371 298.8413 -183325.4415 -149001.8334 299.2627 24.3699 57.9688 557169.8042 12.5627 12.5924 PRESSURE: 3466000 -3.53788 104.699 -42.8467 104.699 292.006 -53.2319 -42.8465 -53.2315 222.755 GPRESSURE: 3466000 33.8561 109.115 -92.1437 94.0466 361.154 -104.924 -36.8372 -23.7469 214.539 PRESSAVG: 3466000 -55.57 1.89485 -28.0705 1.89476 71.7929 13.9899 -28.0706 13.9899 6.66572 GPRESSAVG: 3466000 -55.3898 2.99843 -29.7373 1.12935 71.0986 14.9158 -26.1766 13.3263 7.1931 TIMING: 3466000 CPU: 10432.9, 0.00298729/step Wall: 10432.9, 0.00298729/step, 1.27292 hours remaining, 209.519531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3466000 721.9996 2103.0386 1970.6533 112.7333 -206045.7048 17881.3704 0.0000 0.0000 34400.1031 -148855.8066 300.4247 -183255.9096 -148755.0807 300.4684 170.4075 203.1829 557400.8568 7.6295 7.6339 PRESSURE: 3466200 122.066 -35.1337 -105.687 -35.1336 113.08 64.6435 -105.687 64.6427 24.3229 GPRESSURE: 3466200 162.368 46.0299 -65.067 -81.152 79.0646 35.3469 -131.096 58.9788 120.433 PRESSAVG: 3466200 -14.0286 28.9306 -14.1876 28.9306 -37.2379 21.555 -14.1875 21.555 14.4287 GPRESSAVG: 3466200 -13.7224 28.0262 -12.2383 29.8206 -37.9537 22.2865 -16.0353 20.3112 14.4229 TIMING: 3466200 CPU: 10433.5, 0.00297469/step Wall: 10433.5, 0.00297469/step, 1.26738 hours remaining, 209.519531 MB of memory in use. ENERGY: 3466200 703.7064 2099.9991 1964.1610 107.3587 -205927.5821 17847.4981 0.0000 0.0000 34285.7666 -148919.0923 299.4261 -183204.8589 -148826.2082 300.3616 86.4895 120.6219 558186.7550 -12.2793 -12.4177 PRESSURE: 3466400 71.6039 82.5505 -81.9337 82.5516 -29.6307 -10.4742 -81.9337 -10.4739 248.053 GPRESSURE: 3466400 68.5694 68.3424 -48.2766 13.7206 -9.98692 -57.1751 -47.3978 26.9352 315.502 PRESSAVG: 3466400 -2.05608 31.5438 -15.7436 31.5439 4.81858 -23.7357 -15.7436 -23.7357 -18.7705 GPRESSAVG: 3466400 -1.94679 29.8487 -17.6116 29.0507 5.1314 -24.2778 -16.0375 -22.8952 -19.0705 TIMING: 3466400 CPU: 10434.1, 0.0029654/step Wall: 10434.1, 0.0029654/step, 1.26326 hours remaining, 209.519531 MB of memory in use. ENERGY: 3466400 742.6921 2133.0007 1959.4047 113.4739 -206397.7727 18114.7199 0.0000 0.0000 34473.0225 -148861.4588 301.0615 -183334.4813 -148759.0789 300.2371 96.6753 124.6947 557894.0630 -5.3360 -5.2953 PRESSURE: 3466600 97.3268 -142.434 -27.7813 -142.432 -53.8468 72.2967 -27.7812 72.2966 -78.6807 GPRESSURE: 3466600 94.2599 -164.38 -11.3703 -186.017 -22.1886 34.6943 -104.174 20.9519 -14.9261 PRESSAVG: 3466600 4.87969 29.6337 33.4111 29.6337 -9.88665 15.9102 33.4111 15.9103 -20.4443 GPRESSAVG: 3466600 5.29471 32.2149 34.717 29.0985 -10.8623 17.8727 33.5274 12.6203 -19.9567 TIMING: 3466600 CPU: 10434.7, 0.002967/step Wall: 10434.7, 0.002967/step, 1.26378 hours remaining, 209.519531 MB of memory in use. ENERGY: 3466600 720.1887 2080.7609 1938.2490 110.9478 -205706.3011 17594.5690 0.0000 0.0000 34381.8059 -148879.7798 300.2649 -183261.5856 -148786.4162 300.3916 -11.7336 19.0484 556445.1382 -8.4838 -8.5081 PRESSURE: 3466800 75.4941 -115.515 22.2561 -115.516 210.462 -62.6711 22.2564 -62.6726 104.694 GPRESSURE: 3466800 132.778 -73.6357 -34.5097 -187.913 195.947 -44.6306 111.786 -113.214 173.843 PRESSAVG: 3466800 28.2389 33.0823 49.8594 33.0823 -24.4554 52.7076 49.8594 52.7077 -13.2952 GPRESSAVG: 3466800 28.2883 30.424 49.2199 35.153 -24.2904 50.3899 50.1387 54.8023 -13.2053 TIMING: 3466800 CPU: 10435.3, 0.00295832/step Wall: 10435.3, 0.00295832/step, 1.25992 hours remaining, 209.519531 MB of memory in use. ENERGY: 3466800 753.6360 2061.4917 1954.0905 110.5516 -206099.1546 17815.7014 0.0000 0.0000 34396.9631 -149006.7204 300.3972 -183403.6835 -148911.0542 299.6488 130.2168 167.5228 555562.8412 -3.1706 -3.0691 PRESSURE: 3467000 68.4419 -62.0327 -45.9575 -62.0319 42.5967 -2.47043 -45.9564 -2.46937 12.0725 GPRESSURE: 3467000 111.611 -147.919 -52.91 -12.9175 120.197 17.3032 47.7333 -31.5286 -25.8225 PRESSAVG: 3467000 63.0303 49.6508 -14.3111 49.6508 -3.04443 -12.9599 -14.3111 -12.96 -52.2586 GPRESSAVG: 3467000 63.0314 47.9515 -15.8374 51.1288 -1.87628 -13.9664 -11.5255 -12.5243 -53.4861 TIMING: 3467000 CPU: 10435.9, 0.00296973/step Wall: 10435.9, 0.00296973/step, 1.26461 hours remaining, 209.531250 MB of memory in use. ENERGY: 3467000 777.5067 2087.2580 1922.5590 96.3037 -205887.9589 17684.9966 0.0000 0.0000 34330.2771 -148989.0577 299.8148 -183319.3348 -148890.3644 299.0619 41.0370 68.6618 556846.5880 2.5758 2.5564 PRESSURE: 3467200 17.7526 -176.817 -37.4135 -176.817 140.769 90.9729 -37.4126 90.9711 82.7169 GPRESSURE: 3467200 75.5247 -72.7605 1.83982 -198.205 164.305 17.9751 -55.6614 137.645 99.4671 PRESSAVG: 3467200 19.1333 -48.0611 74.1913 -48.0611 0.029023 -20.431 74.1913 -20.4309 -48.7848 GPRESSAVG: 3467200 18.9757 -47.3656 74.4676 -48.7847 -0.993202 -19.6499 73.7809 -18.984 -47.7678 TIMING: 3467200 CPU: 10436.5, 0.0029745/step Wall: 10436.5, 0.0029745/step, 1.26648 hours remaining, 209.531250 MB of memory in use. ENERGY: 3467200 710.8437 2077.9805 1955.4977 108.4236 -205843.8040 17700.7082 0.0000 0.0000 34192.4444 -149097.9058 298.6111 -183290.3502 -149001.4745 299.1005 80.4128 113.0988 557042.7040 -9.8742 -9.9284 PRESSURE: 3467400 -250.767 34.7314 55.2419 34.7306 -192.484 162.631 55.242 162.631 -370.846 GPRESSURE: 3467400 -248.513 48.765 110.159 -57.7687 -157.366 162.242 71.3435 124.924 -314.858 PRESSAVG: 3467400 17.3106 12.1956 12.6308 12.1956 42.6341 17.8462 12.6307 17.8462 -21.3824 GPRESSAVG: 3467400 18.9894 11.5608 15.3527 11.7334 42.1858 16.6892 10.9161 18.0579 -22.7389 TIMING: 3467400 CPU: 10437.1, 0.00295792/step Wall: 10437.1, 0.00295793/step, 1.25925 hours remaining, 209.531250 MB of memory in use. ENERGY: 3467400 760.2426 2125.4141 1930.1485 100.7013 -205651.9663 17334.0213 0.0000 0.0000 34199.8765 -149201.5619 298.6760 -183401.4384 -149104.6807 299.2567 -271.3657 -240.2459 556796.6184 12.8541 12.8121 PRESSURE: 3467600 -82.9132 -56.2241 -117.152 -56.2234 -90.026 -28.2581 -117.152 -28.2593 -208.669 GPRESSURE: 3467600 -21.0531 -89.6653 8.22762 -69.9129 -78.391 -3.43195 -137.148 -58.8486 -188.466 PRESSAVG: 3467600 10.9905 -47.6646 34.0032 -47.6646 56.6817 35.2942 34.003 35.2941 -48.1282 GPRESSAVG: 3467600 11.311 -47.256 32.1855 -46.9767 57.4166 35.3063 34.5192 33.7369 -48.6241 TIMING: 3467600 CPU: 10437.7, 0.00298117/step Wall: 10437.7, 0.00298117/step, 1.26898 hours remaining, 209.531250 MB of memory in use. ENERGY: 3467600 747.4926 2034.7516 1960.7957 96.2035 -205651.4595 17534.5552 0.0000 0.0000 33928.8632 -149348.7977 296.3092 -183277.6609 -149252.5406 298.9567 -127.2029 -95.9701 556507.3978 6.5147 6.7012 PRESSURE: 3467800 35.2956 -58.8878 -48.083 -58.8884 -226.942 -38.9562 -48.0841 -38.9584 -56.8581 GPRESSURE: 3467800 31.8563 -79.1044 -23.1819 -34.0505 -159.048 -43.9349 -26.6153 -48.0447 -28.0696 PRESSAVG: 3467800 5.08668 -32.1163 15.6317 -32.1162 56.6819 15.3953 15.6318 15.3952 -69.9912 GPRESSAVG: 3467800 3.72554 -31.7734 14.85 -33.6065 57.8193 16.6473 17.3748 15.0641 -69.289 TIMING: 3467800 CPU: 10438.3, 0.00299654/step Wall: 10438.3, 0.00299654/step, 1.27536 hours remaining, 209.531250 MB of memory in use. ENERGY: 3467800 723.4345 2077.2665 1931.5701 100.6962 -205861.6346 17518.7355 0.0000 0.0000 34250.4776 -149259.4543 299.1179 -183509.9318 -149159.2437 298.4732 -82.8347 -51.7538 557412.9019 -2.7409 -2.5814 PRESSURE: 3468000 -189.382 75.4047 10.1842 75.4054 -96.9515 160.424 10.184 160.423 -220.71 GPRESSURE: 3468000 -150.396 25.3612 -30.1639 45.5099 -88.2167 92.1352 90.1587 192.938 -174.183 PRESSAVG: 3468000 -48.5959 -26.1778 -24.4351 -26.178 -3.40683 52.5206 -24.4351 52.5207 25.001 GPRESSAVG: 3468000 -47.8534 -27.2819 -24.2592 -24.8209 -5.0139 51.772 -25.229 53.5985 26.2214 TIMING: 3468000 CPU: 10438.9, 0.00298726/step Wall: 10438.9, 0.00298726/step, 1.27124 hours remaining, 209.531250 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: 3468000 787.2012 1998.6639 1952.6293 107.7349 -206064.2041 17709.7609 0.0000 0.0000 34249.8570 -149258.3569 299.1125 -183508.2139 -149164.5325 299.1383 -169.0145 -137.5984 558218.3896 -9.0006 -8.8820 PRESSURE: 3468200 59.0132 -207.729 -94.8732 -207.729 -58.042 -27.4436 -94.8728 -27.4434 -428.061 GPRESSURE: 3468200 59.4692 -202.242 -81.102 -189.949 23.457 -39.6673 -164.515 -66.6214 -416.635 PRESSAVG: 3468200 54.9324 10 -38.7572 9.99997 8.31492 30.6747 -38.7573 30.6746 -61.1298 GPRESSAVG: 3468200 54.9676 12.0788 -38.6543 10.0956 9.12353 30.8962 -39.3946 28.9675 -62.1113 TIMING: 3468200 CPU: 10439.5, 0.00298698/step Wall: 10439.5, 0.00298698/step, 1.27096 hours remaining, 209.531250 MB of memory in use. ENERGY: 3468200 746.6081 2066.1908 1941.6773 120.7622 -205707.9479 17498.9956 0.0000 0.0000 34189.1355 -149144.5784 298.5822 -183333.7138 -149048.0205 299.5284 -142.3634 -111.2362 557923.9751 0.7058 0.6599 LDB: ============= START OF LOAD BALANCING ============== 10443 LDB: ============== END OF LOAD BALANCING =============== 10443 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10443 LDB: ============= START OF LOAD BALANCING ============== 10443.3 LDB: Largest compute 4794 load 0.029265 is 24.8% of average load 0.118179 LDB: Average compute 0.001721 is 1.5% of average load 0.118179 LDB: TIME 10443.3 LOAD: AVG 0.118179 MAX 0.206008 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.688 MB LDB: TIME 10443.3 LOAD: AVG 0.118179 MAX 0.206008 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.758 MB LDB: TIME 10443.3 LOAD: AVG 0.118179 MAX 0.206008 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.758 MB LDB: ============== END OF LOAD BALANCING =============== 10443.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10443.3 PRESSURE: 3468400 12.6382 170.771 -120.39 170.771 -14.0229 129.751 -120.39 129.75 -213.008 GPRESSURE: 3468400 44.9707 232.576 -109.047 40.2859 42.3623 139.4 -148.166 122.246 -207.076 PRESSAVG: 3468400 67.3889 -2.22559 32.4491 -2.22555 -43.3381 37.5883 32.4492 37.5884 -32.1907 GPRESSAVG: 3468400 67.2063 -2.84896 33.4766 -3.61297 -42.8231 40.0385 30.9359 36.3914 -31.5454 TIMING: 3468400 CPU: 10440.1, 0.00303674/step Wall: 10440.1, 0.00303674/step, 1.29196 hours remaining, 207.714844 MB of memory in use. ENERGY: 3468400 768.2946 2108.4173 1970.2589 104.4956 -206370.8647 17633.3016 0.0000 0.0000 34570.8064 -149215.2903 301.9155 -183786.0967 -149119.2267 299.3601 -71.4642 -39.9142 555523.0419 -2.7133 -2.3874 PRESSURE: 3468600 30.8052 -61.9506 -102.047 -61.9509 -97.6666 -20.0602 -102.047 -20.0592 -152.628 GPRESSURE: 3468600 51.1652 -115.468 -35.5038 23.506 -28.5349 68.417 -119.855 -32.3128 -142.204 PRESSAVG: 3468600 -51.1231 33.8124 -53.5032 33.8125 -34.9425 -19.51 -53.5031 -19.5099 74.4099 GPRESSAVG: 3468600 -51.9004 31.6288 -53.7552 35.3912 -34.6679 -22.0508 -52.003 -15.639 74.5013 TIMING: 3468600 CPU: 10440.7, 0.00297373/step Wall: 10440.7, 0.00297373/step, 1.26499 hours remaining, 207.917969 MB of memory in use. ENERGY: 3468600 739.4323 2151.6860 1944.6720 132.2787 -206180.2919 17742.9846 0.0000 0.0000 34332.2725 -149136.9658 299.8323 -183469.2384 -149038.8278 300.3559 -73.1631 -39.8578 556854.2713 -3.8852 -4.0223 PRESSURE: 3468800 228.223 -19.7773 -84.6374 -19.7771 234.646 -122.494 -84.6373 -122.494 238.006 GPRESSURE: 3468800 271.183 -80.1023 -35.1287 21.5736 312.181 -50.3555 -62.6907 -108.857 227.727 PRESSAVG: 3468800 24.6999 -11.7296 40.9678 -11.7297 -45.6163 -70.5572 40.9678 -70.5572 60.1215 GPRESSAVG: 3468800 23.73 -8.92002 41.3499 -13.2026 -44.7599 -70.7815 39.4968 -71.0632 60.3541 TIMING: 3468800 CPU: 10441.3, 0.0029763/step Wall: 10441.3, 0.0029763/step, 1.26592 hours remaining, 207.917969 MB of memory in use. ENERGY: 3468800 729.9566 2075.7462 1941.5869 110.1502 -206516.7336 18118.6219 0.0000 0.0000 34270.7863 -149269.8855 299.2953 -183540.6718 -149174.5589 300.1854 233.6249 270.3637 556453.2561 13.0684 13.1081 PRESSURE: 3469000 104.41 156.971 -144.315 156.971 19.7556 -87.0585 -144.315 -87.0601 32.1285 GPRESSURE: 3469000 136.227 118.871 -99.8813 198.069 21.4053 -136.406 -236.331 -33.19 96.1603 PRESSAVG: 3469000 10.9093 5.66325 14.0929 5.66315 -68.3392 -42.5454 14.0928 -42.5454 52.8049 GPRESSAVG: 3469000 13.0403 5.23634 15.0323 4.14036 -69.856 -43.2023 14.763 -42.0362 52.527 TIMING: 3469000 CPU: 10441.9, 0.00300494/step Wall: 10441.9, 0.00300494/step, 1.27794 hours remaining, 207.917969 MB of memory in use. ENERGY: 3469000 713.8673 2103.4659 1944.3689 98.4219 -206311.4149 17950.8375 0.0000 0.0000 34205.1654 -149295.2880 298.7222 -183500.4533 -149186.5774 299.0557 52.0982 84.5977 557397.4031 -1.5417 -1.4296 PRESSURE: 3469200 -46.368 5.08026 62.5967 5.08098 -182.031 -95.4351 62.5969 -95.4347 -250.256 GPRESSURE: 3469200 -53.7701 45.892 181.279 -17.4258 -197.958 -57.605 -9.43762 -217.475 -143.821 PRESSAVG: 3469200 -46.9506 -3.33417 0.407179 -3.33418 47.2778 -6.4697 0.407205 -6.46951 -5.75095 GPRESSAVG: 3469200 -47.872 -2.61546 -1.44382 -2.51148 48.0297 -6.73575 1.50313 -7.2576 -5.70552 TIMING: 3469200 CPU: 10442.5, 0.00298147/step Wall: 10442.5, 0.00298147/step, 1.26779 hours remaining, 207.917969 MB of memory in use. ENERGY: 3469200 707.0026 2118.8206 1960.2173 114.0871 -205850.9449 17400.1179 0.0000 0.0000 34454.4548 -149096.2447 300.8993 -183550.6995 -149002.5995 299.3047 -159.5515 -131.8495 556424.0521 -1.8079 -1.8492 PRESSURE: 3469400 -125.795 60.4816 89.8893 60.4823 -271.111 -132.114 89.8896 -132.114 -328.787 GPRESSURE: 3469400 -15.7377 18.9434 72.1633 72.4144 -299.043 -127.04 130.225 -98.4316 -308.351 PRESSAVG: 3469400 -40.538 -15.5221 -14.2262 -15.5221 4.89104 -68.9669 -14.2262 -68.9669 28.1167 GPRESSAVG: 3469400 -40.5858 -16.2069 -13.6317 -13.7781 5.21998 -68.3259 -15.2331 -68.5882 27.2231 TIMING: 3469400 CPU: 10443.1, 0.00295675/step Wall: 10443.1, 0.00295675/step, 1.25711 hours remaining, 207.917969 MB of memory in use. ENERGY: 3469400 792.7180 2130.5660 1954.7027 107.1486 -205740.2907 17487.1748 0.0000 0.0000 34316.9174 -148951.0632 299.6982 -183267.9806 -148857.1865 300.3518 -241.8974 -207.7103 556944.8731 -2.5101 -2.7142 PRESSURE: 3469600 43.1042 60.4184 -227.206 60.4185 77.0778 -11.2204 -227.205 -11.2201 -151.631 GPRESSURE: 3469600 101.219 41.2256 -180.279 67.1338 131.933 -21.0222 -275.068 15.2545 -172.892 PRESSAVG: 3469600 45.5435 56.285 38.7713 56.285 64.3468 -88.1215 38.7714 -88.1216 -67.5286 GPRESSAVG: 3469600 44.6882 56.0103 36.9935 54.4645 63.8924 -86.9816 38.6102 -88.3254 -66.2642 TIMING: 3469600 CPU: 10443.6, 0.00297765/step Wall: 10443.6, 0.00297765/step, 1.26583 hours remaining, 207.917969 MB of memory in use. ENERGY: 3469600 769.5641 2115.6192 1963.6857 104.9696 -205933.6701 17718.9152 0.0000 0.0000 34352.5606 -148908.3557 300.0095 -183260.9163 -148817.2039 299.9866 -10.4829 20.0869 556538.3106 14.1206 14.1055 PRESSURE: 3469800 77.7966 -215.481 6.84358 -215.481 77.6389 136.938 6.844 136.936 108.158 GPRESSURE: 3469800 108.287 -172.995 18.2103 -197.6 139.952 36.9778 -30.2891 186.587 112.296 PRESSAVG: 3469800 -22.8787 65.1832 -15.6395 65.1831 43.8173 -24.4051 -15.6395 -24.4052 14.6858 GPRESSAVG: 3469800 -22.3597 64.3247 -14.673 67.0261 43.0788 -25.947 -13.7131 -23.5449 14.9532 TIMING: 3469800 CPU: 10444.2, 0.00299882/step Wall: 10444.2, 0.00299882/step, 1.27467 hours remaining, 207.917969 MB of memory in use. ENERGY: 3469800 735.9487 2090.9188 1948.5332 109.3197 -206297.3240 17968.1650 0.0000 0.0000 34304.2894 -149140.1492 299.5879 -183444.4386 -149041.1240 300.4387 87.8644 120.1784 557484.4598 11.8748 11.8908 PRESSURE: 3470000 -116.64 -29.9261 -45.322 -29.9267 45.1657 -142.487 -45.3229 -142.487 274.205 GPRESSURE: 3470000 -57.8047 79.7134 20.2617 6.81872 88.725 -44.3957 -76.1007 -103.262 268.173 PRESSAVG: 3470000 15.3534 15.0737 -7.75072 15.0738 8.06224 -5.52149 -7.75079 -5.52155 31.7976 GPRESSAVG: 3470000 14.6648 15.9254 -6.52297 13.2648 9.05946 -4.22901 -9.60582 -7.53283 31.6328 TIMING: 3470000 CPU: 10444.8, 0.00297918/step Wall: 10444.8, 0.00297918/step, 1.26615 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: 3470000 755.4953 2050.9311 1960.4463 110.2303 -206211.8534 17809.0670 0.0000 0.0000 34342.6379 -149183.0455 299.9228 -183525.6833 -149081.3019 299.8422 67.5769 99.6977 557141.7052 18.4044 18.4524 PRESSURE: 3470200 -135.622 -5.36108 71.8182 -5.36161 -2.66989 -170.274 71.8185 -170.274 -194.609 GPRESSURE: 3470200 -124.886 -52.5858 92.1653 17.7438 77.4774 -245.654 0.804538 -174.75 -173.47 PRESSAVG: 3470200 -2.46845 12.5964 -28.2653 12.5963 -15.323 9.17265 -28.2654 9.17259 5.28873 GPRESSAVG: 3470200 -0.847982 10.2324 -28.1696 15.4603 -16.671 9.37902 -28.0816 10.1748 5.1379 TIMING: 3470200 CPU: 10445.4, 0.00295298/step Wall: 10445.4, 0.00295298/step, 1.25485 hours remaining, 207.917969 MB of memory in use. ENERGY: 3470200 774.0886 2178.9438 1935.2034 108.2017 -206222.9617 17807.9784 0.0000 0.0000 34263.5970 -149154.9489 299.2325 -183418.5459 -149056.8104 299.3324 -110.9671 -73.6264 557160.8904 -4.1676 -4.1270 PRESSURE: 3470400 236.604 -62.455 32.292 -62.4556 131.274 -46.1746 32.2924 -46.1745 144.257 GPRESSURE: 3470400 231.332 -59.7649 56.0536 -5.34425 210.072 -63.1697 -2.9438 -72.662 162.873 PRESSAVG: 3470400 -31.8294 20.3534 -2.8919 20.3534 -21.5429 -46.2663 -2.89185 -46.2662 41.4498 GPRESSAVG: 3470400 -32.618 21.2174 -3.90533 19.2314 -20.3288 -48.6093 -3.90367 -46.0333 41.1478 TIMING: 3470400 CPU: 10446, 0.00296498/step Wall: 10446, 0.00296498/step, 1.25979 hours remaining, 207.917969 MB of memory in use. ENERGY: 3470400 774.0804 2038.8618 1950.1183 102.2231 -206314.2954 17991.0813 0.0000 0.0000 34283.2870 -149174.6435 299.4045 -183457.9305 -149081.0209 299.7376 170.7117 201.4257 556204.3051 -3.9742 -3.9330 PRESSURE: 3470600 -133.702 70.5475 105.593 70.5478 -210.102 217.424 105.593 217.425 -46.1813 GPRESSURE: 3470600 -63.5352 37.1837 133.084 94.9707 -149.588 236.296 71.9736 219.381 -77.9352 PRESSAVG: 3470600 86.313 27.5025 51.432 27.5026 -53.082 13.7203 51.4319 13.7204 -8.8727 GPRESSAVG: 3470600 86.3845 28.5354 52.5426 25.8928 -53.7667 14.9645 51.6892 14.5391 -7.42163 TIMING: 3470600 CPU: 10446.6, 0.00296069/step Wall: 10446.6, 0.00296069/step, 1.2578 hours remaining, 208.121094 MB of memory in use. ENERGY: 3470600 739.6180 2034.2954 1926.0638 100.6256 -205891.9166 17531.7117 0.0000 0.0000 34158.3947 -149401.2074 298.3138 -183559.6021 -149308.9697 299.6777 -129.9949 -97.0196 555545.7625 8.1194 8.3987 PRESSURE: 3470800 187.201 -17.3667 -43.9386 -17.366 -303.383 -66.1032 -43.9373 -66.1028 75.5465 GPRESSURE: 3470800 241.657 27.3736 -93.9827 -65.4456 -209.71 -48.2476 -43.6437 -18.9276 12.0931 PRESSAVG: 3470800 4.44199 70.8666 -15.5344 70.8666 -42.8201 38.9916 -15.5345 38.9915 14.9145 GPRESSAVG: 3470800 4.18994 72.0832 -14.9654 70.2086 -42.9347 39.7676 -14.5879 38.9361 15.3835 TIMING: 3470800 CPU: 10447.2, 0.00298419/step Wall: 10447.2, 0.00298419/step, 1.26762 hours remaining, 208.121094 MB of memory in use. ENERGY: 3470800 760.7292 2095.8427 1926.7479 104.2292 -206471.9253 17844.0301 0.0000 0.0000 34042.4033 -149697.9430 297.3008 -183740.3462 -149597.4376 299.4004 -13.5450 14.6801 555679.7932 -7.8212 -7.7871 PRESSURE: 3471000 192.553 -84.7725 16.6455 -84.774 93.349 -19.1547 16.6461 -19.1555 143.187 GPRESSURE: 3471000 200.184 -124.609 -30.1159 -36.0257 167.704 -64.722 86.4271 16.0406 153.101 PRESSAVG: 3471000 -4.1111 15.7861 23.3327 15.786 -26.6333 37.0308 23.3327 37.0307 20.8462 GPRESSAVG: 3471000 -3.54556 14.1056 22.7396 16.8093 -25.908 37.2007 23.8112 35.25 19.4447 TIMING: 3471000 CPU: 10447.8, 0.00298675/step Wall: 10447.8, 0.00298675/step, 1.26854 hours remaining, 208.121094 MB of memory in use. ENERGY: 3471000 701.6269 2038.7540 1938.0876 118.3223 -206538.8773 17899.3965 0.0000 0.0000 34171.2106 -149671.4794 298.4257 -183842.6900 -149574.6771 297.3489 143.0299 173.6628 556579.9194 -3.2994 -3.3363 PRESSURE: 3471200 -227.008 -49.6634 106.816 -49.6636 -127.561 -194.6 106.816 -194.6 -160.114 GPRESSURE: 3471200 -214.068 -43.2966 113.242 -43.5083 -104.394 -235.531 67.6228 -119.226 -112.682 PRESSAVG: 3471200 -33.9295 24.8461 -61.6044 24.8461 -25.5458 43.5104 -61.6044 43.5104 47.3878 GPRESSAVG: 3471200 -34.2342 24.9798 -63.5114 24.6625 -25.5239 44.8942 -61.2879 43.5964 47.583 TIMING: 3471200 CPU: 10448.4, 0.00297726/step Wall: 10448.4, 0.00297726/step, 1.26434 hours remaining, 208.121094 MB of memory in use. ENERGY: 3471200 764.4908 2061.2300 1949.9067 114.5539 -206187.3569 17550.6933 0.0000 0.0000 34276.9081 -149469.5741 299.3488 -183746.4823 -149373.7183 297.4611 -171.5611 -143.7146 556663.2075 -4.0292 -4.0584 PRESSURE: 3471400 29.5343 -103.502 -95.9259 -103.502 -158.977 6.9455 -95.9258 6.94746 -212.842 GPRESSURE: 3471400 48.6124 -62.6699 -27.1451 -254.837 -99.6583 77.0695 -174.926 -59.1076 -199.323 PRESSAVG: 3471400 -6.12356 -37.8513 -26.2222 -37.8513 9.94168 36.4401 -26.2222 36.4401 9.5873 GPRESSAVG: 3471400 -7.20186 -37.2768 -23.5445 -40.1161 9.59049 35.8905 -24.1785 36.955 10.9785 TIMING: 3471400 CPU: 10449, 0.00296676/step Wall: 10449, 0.00296676/step, 1.25972 hours remaining, 208.121094 MB of memory in use. ENERGY: 3471400 726.8138 2068.1501 1955.9187 119.3917 -206334.2807 17616.0424 0.0000 0.0000 34505.3904 -149342.5736 301.3442 -183847.9640 -149246.9538 299.5555 -114.0949 -83.4563 555963.7178 4.4685 4.4557 PRESSURE: 3471600 142.497 -141.025 116.543 -141.026 -223.849 -7.28716 116.543 -7.2867 144.254 GPRESSURE: 3471600 191.33 -121.488 161.739 -204.237 -195.292 35.9491 113.824 -31.6425 159.758 PRESSAVG: 3471600 10.6295 15.9867 32.5161 15.9866 -79.5072 78.2096 32.5161 78.2096 127.711 GPRESSAVG: 3471600 11.31 15.4047 31.3062 17.6333 -79.4493 77.4499 30.6072 77.5819 127.266 TIMING: 3471600 CPU: 10449.6, 0.00297646/step Wall: 10449.6, 0.00297646/step, 1.26367 hours remaining, 208.121094 MB of memory in use. ENERGY: 3471600 748.2424 2123.1469 1912.5931 99.9915 -206228.9954 17781.8713 0.0000 0.0000 34405.0895 -149158.0606 300.4682 -183563.1502 -149059.4417 300.2695 20.9674 51.9321 556577.4342 19.6111 19.7088 PRESSURE: 3471800 -91.9126 2.89566 153.917 2.89462 51.7793 89.2743 153.917 89.2753 -165.721 GPRESSURE: 3471800 -88.306 19.8662 136.489 -10.3924 57.2534 124.563 91.0259 139.399 -72.609 PRESSAVG: 3471800 -40.1565 -57.4103 -35.409 -57.4103 39.0121 8.9125 -35.4089 8.91241 -16.8693 GPRESSAVG: 3471800 -40.0244 -55.5221 -33.4162 -57.421 38.485 10.2003 -36.8317 9.55031 -16.4817 TIMING: 3471800 CPU: 10450.2, 0.00296952/step Wall: 10450.2, 0.00296952/step, 1.26056 hours remaining, 208.121094 MB of memory in use. ENERGY: 3471800 754.5322 2050.2083 1934.1515 110.4389 -206142.4395 17655.2955 0.0000 0.0000 34455.2374 -149182.5757 300.9062 -183637.8131 -149074.1861 300.3549 -68.6180 -34.5538 557291.4623 -6.0046 -6.0071 PRESSURE: 3472000 -291.756 -80.6125 -228.698 -80.6143 -70.7301 -43.9724 -228.699 -43.9727 163.181 GPRESSURE: 3472000 -261.146 -52.857 -187.764 -115.282 -46.7353 8.92349 -240.032 -60.4463 180.592 PRESSAVG: 3472000 -26.1752 -18.4586 1.43259 -18.4586 9.20601 -4.50306 1.43263 -4.50305 5.04786 GPRESSAVG: 3472000 -26.5014 -18.2159 -0.304276 -20.6453 9.88137 -6.07472 2.49872 -3.65689 4.21258 TIMING: 3472000 CPU: 10450.8, 0.00298838/step Wall: 10450.8, 0.00298838/step, 1.2684 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: 3472000 819.0706 2061.2256 1928.4261 112.8323 -205969.0620 17666.7804 0.0000 0.0000 34403.4415 -148977.2855 300.4538 -183380.7269 -148876.0225 300.4738 -66.4349 -42.4298 556434.5885 -3.9738 -4.1358 PRESSURE: 3472200 -257.92 -91.2156 64.7039 -91.215 -252.369 -66.1083 64.7037 -66.1069 -1.44441 GPRESSURE: 3472200 -193.787 -154.287 87.5167 -100.042 -169.13 -151.212 37.4116 -140.571 -55.9651 PRESSAVG: 3472200 -65.3868 -55.7129 -13.4679 -55.7128 22.2554 -37.5172 -13.4679 -37.5172 51.7864 GPRESSAVG: 3472200 -65.6603 -58.3089 -14.9242 -53.3078 23.1554 -36.9555 -13.4757 -38.9364 50.5806 TIMING: 3472200 CPU: 10451.4, 0.00295287/step Wall: 10451.4, 0.00295287/step, 1.25317 hours remaining, 208.121094 MB of memory in use. ENERGY: 3472200 735.0598 2040.6599 1945.2479 111.8195 -205405.6455 17320.1389 0.0000 0.0000 34261.9006 -148990.8188 299.2177 -183252.7194 -148894.7148 300.0033 -170.5777 -139.6276 556502.7613 2.8850 2.6919 LDB: ============= START OF LOAD BALANCING ============== 10454.9 LDB: ============== END OF LOAD BALANCING =============== 10454.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10454.9 LDB: ============= START OF LOAD BALANCING ============== 10455.2 LDB: Largest compute 4794 load 0.031181 is 26.4% of average load 0.118066 LDB: Average compute 0.001720 is 1.5% of average load 0.118066 LDB: TIME 10455.2 LOAD: AVG 0.118066 MAX 0.204309 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.258 MB LDB: TIME 10455.2 LOAD: AVG 0.118066 MAX 0.204309 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.258 MB LDB: TIME 10455.2 LOAD: AVG 0.118066 MAX 0.204309 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.258 MB LDB: ============== END OF LOAD BALANCING =============== 10455.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10455.2 PRESSURE: 3472400 159.585 74.8357 3.89595 74.8375 27.6976 111.159 3.89572 111.16 269.165 GPRESSURE: 3472400 204.402 53.8851 -38.4083 79.3557 73.4753 102.508 99.6703 37.1619 285.907 PRESSAVG: 3472400 14.6578 17.3502 30.9774 17.3502 25.6259 6.6336 30.9773 6.63365 5.11434 GPRESSAVG: 3472400 14.1911 18.0625 32.4689 15.2834 24.8221 7.02286 31.0513 6.77431 6.12211 TIMING: 3472400 CPU: 10452, 0.00300644/step Wall: 10452, 0.00300644/step, 1.27573 hours remaining, 208.687500 MB of memory in use. ENERGY: 3472400 708.8548 2049.2970 1950.9415 125.7229 -206037.7460 17993.4509 0.0000 0.0000 34533.4635 -148676.0154 301.5893 -183209.4789 -148577.9431 300.7746 152.1492 187.9281 556489.0593 15.1327 15.0451 PRESSURE: 3472600 -249.993 13.8212 -221.652 13.8189 238.145 -115.683 -221.651 -115.684 480.29 GPRESSURE: 3472600 -159.137 27.1607 -151.416 -64.3546 308.369 -57.3295 -212.027 -64.1356 420.502 PRESSAVG: 3472600 -50.6275 -34.0525 3.72422 -34.0524 25.6908 -3.55903 3.72421 -3.55903 31.7753 GPRESSAVG: 3472600 -49.9955 -33.5779 3.22314 -32.6736 25.3298 -1.74003 3.70943 -4.20016 31.0472 TIMING: 3472600 CPU: 10452.6, 0.00294436/step Wall: 10452.6, 0.00294436/step, 1.24923 hours remaining, 208.945312 MB of memory in use. ENERGY: 3472600 747.3785 2069.0790 1925.9783 126.3992 -206243.6244 18086.4965 0.0000 0.0000 34454.1572 -148834.1357 300.8967 -183288.2929 -148735.5021 301.1979 156.1475 189.9113 559115.2802 2.2795 2.1272 PRESSURE: 3472800 -46.9731 20.4575 -84.3808 20.4567 -204.32 78.0023 -84.3815 78.0026 46.5038 GPRESSURE: 3472800 21.7469 45.6124 -70.3394 -11.7535 -195.323 70.441 -80.2239 119.401 54.7917 PRESSAVG: 3472800 -32.9709 -29.5718 2.12244 -29.5718 39.2539 38.2267 2.12245 38.2268 31.3337 GPRESSAVG: 3472800 -33.8326 -31.2003 2.00245 -29.8602 39.3549 36.334 3.03505 41.1657 31.2682 TIMING: 3472800 CPU: 10453.2, 0.00294371/step Wall: 10453.2, 0.00294371/step, 1.24879 hours remaining, 208.945312 MB of memory in use. ENERGY: 3472800 755.5209 2108.4318 1942.7243 109.1272 -206195.2717 17861.9105 0.0000 0.0000 34534.0242 -148883.5327 301.5942 -183417.5569 -148789.8998 300.2181 -68.2632 -39.5948 559668.6245 12.5389 12.2635 PRESSURE: 3473000 -413.553 34.9779 -83.8085 34.9776 125.98 44.8577 -83.8083 44.858 67.8298 GPRESSURE: 3473000 -342.764 36.3408 -117.679 67.1802 138.653 99.0613 0.6791 28.6442 88.3574 PRESSAVG: 3473000 -26.9645 12.0642 2.60789 12.0642 12.8938 2.36204 2.60785 2.36188 62.2287 GPRESSAVG: 3473000 -26.643 12.5154 2.27322 11.7646 12.0757 2.12591 2.95397 2.50078 62.695 TIMING: 3473000 CPU: 10453.7, 0.00294667/step Wall: 10453.7, 0.00294667/step, 1.24988 hours remaining, 209.015625 MB of memory in use. ENERGY: 3473000 734.8337 2043.2477 1961.9755 132.8232 -206004.3694 17824.2553 0.0000 0.0000 34367.6415 -148939.5925 300.1412 -183307.2340 -148841.9158 300.7059 -73.2479 -38.5847 559859.1380 16.0526 16.0425 PRESSURE: 3473200 -142.764 -2.04126 147.042 -2.04146 60.3473 -30.1229 147.043 -30.1243 -35.4777 GPRESSURE: 3473200 -133.306 -27.5501 134.176 1.90166 95.3145 -68.3116 84.9742 -51.8226 21.7485 PRESSAVG: 3473200 -51.0551 8.58195 17.4484 8.58207 36.0935 -50.5427 17.4485 -50.5427 22.1841 GPRESSAVG: 3473200 -52.1108 10.3149 17.479 6.91332 37.3615 -50.2472 15.2307 -52.967 22.9204 TIMING: 3473200 CPU: 10454.3, 0.00294451/step Wall: 10454.3, 0.00294451/step, 1.2488 hours remaining, 209.015625 MB of memory in use. ENERGY: 3473200 728.4668 2059.4582 1930.9991 112.1085 -205891.5863 17798.9474 0.0000 0.0000 34174.0832 -149087.5231 298.4508 -183261.6063 -148989.9219 299.4946 -39.2982 -5.4145 559772.6282 2.4075 2.7237 PRESSURE: 3473400 -69.4156 2.53194 -1.5734 2.53076 -103.367 -209.468 -1.57304 -209.467 62.8664 GPRESSURE: 3473400 -37.7269 -0.741402 32.059 92.9422 -72.1491 -122.623 -34.1599 -223.356 83.6726 PRESSAVG: 3473400 -7.56621 51.0424 53.5679 51.0423 -59.757 -67.3298 53.5681 -67.3298 47.2213 GPRESSAVG: 3473400 -7.1798 50.7933 52.0352 52.8941 -60.0488 -66.1142 55.8606 -66.0157 47.0617 TIMING: 3473400 CPU: 10454.9, 0.00295901/step Wall: 10454.9, 0.00295901/step, 1.25479 hours remaining, 209.015625 MB of memory in use. ENERGY: 3473400 712.6021 2052.6431 1961.2595 105.1260 -205821.6839 17610.8413 0.0000 0.0000 34196.5482 -149182.6637 298.6470 -183379.2119 -149088.4601 298.6635 -36.6387 -8.7345 557950.1533 -6.7006 -6.7223 PRESSURE: 3473600 -225.43 259.345 -196.169 259.345 118.608 -77.818 -196.169 -77.8175 -72.1698 GPRESSURE: 3473600 -180.78 242.28 -226.557 137.115 164.113 -119.892 -91.2072 -26.3597 -63.0352 PRESSAVG: 3473600 28.3659 -65.8928 44.1822 -65.8929 -16.1735 0.00506996 44.1821 0.00497523 -20.816 GPRESSAVG: 3473600 28.6169 -65.8663 46.3984 -67.0537 -16.6911 0.0108721 41.7288 -0.597624 -20.7487 TIMING: 3473600 CPU: 10455.5, 0.00295766/step Wall: 10455.5, 0.00295766/step, 1.25405 hours remaining, 209.015625 MB of memory in use. ENERGY: 3473600 706.3877 2110.6186 1955.7909 123.3261 -205872.0895 17574.2072 0.0000 0.0000 34275.8896 -149125.8694 299.3399 -183401.7591 -149030.0169 299.4199 -59.6637 -26.5675 558177.0103 -2.8745 -2.9410 PRESSURE: 3473800 21.1098 -186.646 -92.8758 -186.647 205.986 -99.8684 -92.8759 -99.8679 126.759 GPRESSURE: 3473800 22.1948 -143.409 -123.025 -127.025 250.237 -108.121 -149.033 16.155 186.589 PRESSAVG: 3473800 -13.9864 20.9175 -11.6268 20.9174 27.1151 15.2153 -11.6269 15.2153 28.3106 GPRESSAVG: 3473800 -14.7668 20.896 -13.258 20.4342 27.3958 11.9085 -10.1835 17.8624 28.5961 TIMING: 3473800 CPU: 10456.1, 0.00295255/step Wall: 10456.1, 0.00295255/step, 1.25172 hours remaining, 209.015625 MB of memory in use. ENERGY: 3473800 707.2888 2097.4848 1962.9297 122.7104 -206150.7369 17823.8615 0.0000 0.0000 34204.4306 -149232.0310 298.7158 -183436.4617 -149135.8779 299.9005 117.9518 153.0070 556335.8992 13.8131 13.7417 PRESSURE: 3474000 43.1292 36.6368 -37.8086 36.6371 -68.7422 -201.971 -37.8087 -201.971 124.82 GPRESSURE: 3474000 76.8079 132.335 -89.4749 4.61966 15.0922 -222.646 42.5669 -209.124 109.222 PRESSAVG: 3474000 -24.364 48.9437 -34.0715 48.9436 12.4044 29.9635 -34.0714 29.9635 11.3369 GPRESSAVG: 3474000 -23.5818 47.6099 -32.7623 48.9332 11.6658 35.3579 -33.9698 26.1579 10.3677 TIMING: 3474000 CPU: 10456.7, 0.00294484/step Wall: 10456.7, 0.00294484/step, 1.24829 hours remaining, 209.015625 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: 3474000 710.2990 2122.1839 1965.6176 124.6910 -206132.4483 17786.7019 0.0000 0.0000 34274.7422 -149148.2127 299.3298 -183422.9548 -149055.2081 299.6003 33.0691 67.0408 555090.9544 -0.2076 -0.5161 PRESSURE: 3474200 -131.665 57.651 -79.0451 57.6505 -40.7371 -48.1979 -79.0454 -48.1966 -218.605 GPRESSURE: 3474200 -87.0354 58.1677 -165.461 93.2765 -28.4249 -60.8236 66.989 -52.4297 -180.994 PRESSAVG: 3474200 27.3324 -19.3312 21.2528 -19.3312 -11.7017 3.40116 21.2528 3.40107 -25.1319 GPRESSAVG: 3474200 26.8864 -21.3414 21.2664 -16.6987 -11.2163 0.276392 20.896 4.85353 -25.4929 TIMING: 3474200 CPU: 10457.3, 0.00293713/step Wall: 10457.3, 0.00293713/step, 1.24486 hours remaining, 209.015625 MB of memory in use. ENERGY: 3474200 723.3701 2071.8620 1956.5816 108.7322 -205703.3846 17429.1693 0.0000 0.0000 34376.1513 -149037.5181 300.2155 -183413.6694 -148938.1409 299.5667 -130.3357 -98.8180 556069.9296 -3.1671 -3.2743 PRESSURE: 3474400 -27.0061 -141.899 18.1301 -141.898 -20.8938 90.1279 18.1306 90.1248 -87.6166 GPRESSURE: 3474400 -8.58989 -59.1548 -2.11635 -182.279 68.2011 140.438 19.8742 79.078 -87.3782 PRESSAVG: 3474400 17.4001 -68.7682 39.0705 -68.768 23.1553 13.5302 39.0705 13.5302 -20.1242 GPRESSAVG: 3474400 17.2205 -67.0199 40.3464 -69.0792 22.6146 15.4214 37.0756 13.3067 -19.282 TIMING: 3474400 CPU: 10457.9, 0.00297259/step Wall: 10457.9, 0.00297259/step, 1.25972 hours remaining, 209.015625 MB of memory in use. ENERGY: 3474400 807.0550 2094.0497 1945.3255 112.1056 -206027.3174 17621.1596 0.0000 0.0000 34459.8305 -148987.7915 300.9463 -183447.6221 -148893.5928 299.8889 -45.1722 -9.2557 557196.8439 6.8104 6.8510 PRESSURE: 3474600 18.9233 -137.387 -84.6872 -137.387 -254.226 -136.247 -84.6858 -136.246 -292.776 GPRESSURE: 3474600 72.2163 -181.135 -129.439 -150.707 -259.233 -144.483 -101.207 -155.876 -244.902 PRESSAVG: 3474600 47.7693 -27.3854 -33.6653 -27.3854 57.0181 -33.3189 -33.6653 -33.3188 -49.7781 GPRESSAVG: 3474600 47.5863 -26.1635 -35.0109 -27.876 58.0793 -33.1761 -33.0006 -33.1417 -50.7604 TIMING: 3474600 CPU: 10458.5, 0.00296323/step Wall: 10458.5, 0.00296323/step, 1.25559 hours remaining, 209.015625 MB of memory in use. ENERGY: 3474600 741.6595 2059.0623 1932.5430 115.5097 -205761.5210 17528.2357 0.0000 0.0000 34229.1334 -149155.3774 298.9315 -183384.5108 -149057.4248 299.5288 -176.0263 -143.9728 557508.1393 18.3364 18.3017 PRESSURE: 3474800 -73.1549 -7.1081 67.4894 -7.10849 -160.091 -66.3562 67.4882 -66.3574 10.3405 GPRESSURE: 3474800 -30.6092 -35.4479 34.0739 -5.69808 -152.226 -127.096 67.7815 -126.197 60.3456 PRESSAVG: 3474800 55.4233 -40.678 -41.4263 -40.6781 -19.8786 -63.7462 -41.4264 -63.7462 -25.9903 GPRESSAVG: 3474800 55.3584 -43.5116 -40.2692 -41.3545 -19.4792 -65.0838 -41.6128 -63.2438 -26.1343 TIMING: 3474800 CPU: 10459.1, 0.00297176/step Wall: 10459.1, 0.00297176/step, 1.25903 hours remaining, 209.015625 MB of memory in use. ENERGY: 3474800 751.0259 2099.9019 1916.0449 110.3903 -206449.0214 17789.8829 0.0000 0.0000 34560.9108 -149220.8647 301.8290 -183781.7756 -149118.5191 299.4105 -74.3019 -40.8298 557261.8467 3.1848 3.2483 PRESSURE: 3475000 -71.2246 -36.2664 111.444 -36.2668 -293.053 24.6473 111.444 24.6485 -279.072 GPRESSURE: 3475000 -37.9279 -79.1586 59.2991 15.9866 -290.248 10.1443 196.413 -7.08721 -232.483 PRESSAVG: 3475000 50.896 -29.9775 -51.8891 -29.9775 -68.3631 -24.2042 -51.8891 -24.2043 21.9695 GPRESSAVG: 3475000 51.9822 -29.436 -55.5808 -28.7511 -69.3005 -23.4181 -50.0998 -24.458 21.9573 TIMING: 3475000 CPU: 10459.7, 0.00295672/step Wall: 10459.7, 0.00295672/step, 1.2525 hours remaining, 209.015625 MB of memory in use. ENERGY: 3475000 733.2944 2140.8056 1945.0530 112.9392 -206167.3150 17620.6144 0.0000 0.0000 34367.1656 -149247.4426 300.1370 -183614.6083 -149152.8235 300.3540 -214.4499 -186.8863 558909.5413 1.5008 1.5464 PRESSURE: 3475200 -192.484 119.349 51.1864 119.35 -110.576 28.6675 51.1869 28.6656 -128.58 GPRESSURE: 3475200 -197.501 116.299 70.2788 144.659 -86.7648 -32.6673 -32.4892 78.4232 -56.8703 PRESSAVG: 3475200 12.4788 -32.5957 -14.3727 -32.5957 -43.1503 4.87056 -14.3726 4.87038 19.7726 GPRESSAVG: 3475200 11.4745 -29.9104 -10.1187 -35.1684 -43.85 3.83451 -16.4421 6.83102 21.5821 TIMING: 3475200 CPU: 10460.3, 0.00297523/step Wall: 10460.3, 0.00297523/step, 1.26017 hours remaining, 209.015625 MB of memory in use. ENERGY: 3475200 747.5427 2107.2111 1975.9868 114.3703 -206391.5336 17748.8392 0.0000 0.0000 34461.8543 -149235.7292 300.9639 -183697.5835 -149141.9735 299.2433 -143.8801 -113.7120 558605.1909 -3.6330 -3.5978 PRESSURE: 3475400 5.41825 -33.9005 38.9481 -33.9 -127.578 57.7585 38.9491 57.7564 -275.187 GPRESSURE: 3475400 70.9654 -26.4923 24.5309 1.86386 -176.49 54.1908 162.44 74.7447 -200.831 PRESSAVG: 3475400 -6.02708 35.773 29.3837 35.773 -36.3836 1.93763 29.3837 1.93765 14.5948 GPRESSAVG: 3475400 -5.788 36.188 27.4455 40.7239 -35.6609 0.622539 31.9606 -0.345208 13.2338 TIMING: 3475400 CPU: 10460.9, 0.00297373/step Wall: 10460.9, 0.00297373/step, 1.25937 hours remaining, 209.218750 MB of memory in use. ENERGY: 3475400 762.4021 2034.1308 1941.9960 116.8500 -206343.7024 17741.3622 0.0000 0.0000 34249.0070 -149497.9543 299.1051 -183746.9613 -149402.4332 299.0771 -132.4489 -102.1183 559224.8093 -9.2719 -9.4050 PRESSURE: 3475600 48.7398 -85.092 66.0241 -85.0935 219.923 -82.5361 66.0251 -82.5356 187.238 GPRESSURE: 3475600 11.3131 -147.238 19.3842 -94.9562 293.293 -49.8919 106.649 -32.9682 235.541 PRESSAVG: 3475600 -41.8688 -17.7384 -7.36027 -17.7384 65.5544 -45.6055 -7.36018 -45.6054 -19.599 GPRESSAVG: 3475600 -41.6394 -21.9088 -7.82547 -18.486 64.7952 -44.1503 -7.33008 -45.0454 -19.2428 TIMING: 3475600 CPU: 10461.4, 0.00299101/step Wall: 10461.4, 0.00299101/step, 1.26653 hours remaining, 209.218750 MB of memory in use. ENERGY: 3475600 726.9860 2102.8537 1937.8439 115.7000 -206980.1164 18180.0772 0.0000 0.0000 34171.8630 -149744.7925 298.4314 -183916.6555 -149651.6565 299.0450 151.9666 180.0491 555629.9796 1.3622 1.3043 PRESSURE: 3475800 -33.4566 131.186 -56.4027 131.187 -56.9449 52.3543 -56.4016 52.3538 -149.206 GPRESSURE: 3475800 -27.0212 147.607 58.0934 33.0969 -14.3556 43.0642 -88.9739 53.8429 -100.572 PRESSAVG: 3475800 0.434495 4.7633 8.74391 4.76329 41.4169 -2.32335 8.74391 -2.32335 -30.1763 GPRESSAVG: 3475800 1.23143 7.02853 11.5734 3.39376 40.8722 -2.24537 5.54759 -0.600549 -29.9249 TIMING: 3475800 CPU: 10462.1, 0.00301217/step Wall: 10462.1, 0.00301217/step, 1.27532 hours remaining, 209.218750 MB of memory in use. ENERGY: 3475800 750.8650 2107.3401 1951.1617 119.0148 -206539.1484 17898.8768 0.0000 0.0000 34073.4614 -149638.4286 297.5720 -183711.8900 -149547.8188 298.2094 -79.8693 -47.3164 557188.8063 3.8917 4.0596 PRESSURE: 3476000 -248.373 233.417 54.2771 233.417 200.698 -94.0416 54.277 -94.0421 -0.216473 GPRESSURE: 3476000 -262.332 194.131 -47.1603 241.374 252.2 -66.51 108.332 -114.906 55.9208 PRESSAVG: 3476000 -8.47129 74.0752 48.387 74.0753 22.6831 29.4666 48.3871 29.4666 8.00126 GPRESSAVG: 3476000 -9.51166 74.8638 46.3472 72.5456 22.7977 27.0464 50.9969 28.4263 9.06553 TIMING: 3476000 CPU: 10462.7, 0.00304119/step Wall: 10462.7, 0.00304119/step, 1.28744 hours remaining, 209.218750 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: 3476000 735.2788 2090.5702 1956.4281 116.8837 -206429.4911 17855.6020 0.0000 0.0000 34237.5479 -149437.1804 299.0050 -183674.7283 -149335.6322 298.8262 -15.9638 15.2627 556999.4347 7.4044 7.4505 PRESSURE: 3476200 -170.758 -83.5614 39.2615 -83.5602 101.357 -115.953 39.2633 -115.955 -223.848 GPRESSURE: 3476200 -114.296 -100.492 -26.348 -6.67164 103.148 -150.731 32.3552 -62.1844 -186.919 PRESSAVG: 3476200 -84.3563 -6.34525 -9.50264 -6.34539 43.801 27.2918 -9.50269 27.2918 -4.62005 GPRESSAVG: 3476200 -83.5228 -7.86112 -10.3163 -5.2806 44.7827 30.354 -10.4175 27.8972 -5.79907 TIMING: 3476200 CPU: 10463.3, 0.00299785/step Wall: 10463.3, 0.00299785/step, 1.26892 hours remaining, 209.218750 MB of memory in use. ENERGY: 3476200 704.6814 2077.4949 1928.1071 119.7607 -206022.7405 17577.0620 0.0000 0.0000 33967.4988 -149648.1355 296.6466 -183615.6343 -149544.6312 298.5168 -97.7494 -66.0219 557090.8375 -15.0584 -14.8464 LDB: ============= START OF LOAD BALANCING ============== 10466.8 LDB: ============== END OF LOAD BALANCING =============== 10466.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10466.8 LDB: ============= START OF LOAD BALANCING ============== 10467.1 LDB: Largest compute 4794 load 0.028378 is 24.0% of average load 0.118134 LDB: Average compute 0.001715 is 1.5% of average load 0.118134 LDB: TIME 10467.1 LOAD: AVG 0.118134 MAX 0.208863 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.527 MB LDB: TIME 10467.1 LOAD: AVG 0.118134 MAX 0.208863 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.73 MB LDB: TIME 10467.1 LOAD: AVG 0.118134 MAX 0.208863 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.73 MB LDB: ============== END OF LOAD BALANCING =============== 10467.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10467.1 PRESSURE: 3476400 184.976 -141.176 83.2593 -141.176 196.798 203.439 83.2597 203.438 99.1273 GPRESSURE: 3476400 110.368 -93.3972 15.6748 -170.83 283.148 204.351 100.528 241.664 174.933 PRESSAVG: 3476400 -10.3447 -0.794438 50.8975 -0.794438 35.2116 89.0605 50.8974 89.0606 -55.3457 GPRESSAVG: 3476400 -10.4713 1.85233 52.3766 -2.42134 33.716 89.2447 48.1365 89.4617 -54.1851 TIMING: 3476400 CPU: 10463.9, 0.00306504/step Wall: 10463.9, 0.00306504/step, 1.29719 hours remaining, 209.703125 MB of memory in use. ENERGY: 3476400 718.3671 2001.7879 1951.6152 115.6936 -206524.7147 18038.0577 0.0000 0.0000 34246.9298 -149452.2633 299.0870 -183699.1932 -149352.8892 298.1253 160.3004 189.4828 555291.2277 -10.1596 -10.3135 PRESSURE: 3476600 130.335 90.8767 168.03 90.8774 -145.413 57.0755 168.029 57.0761 -62.017 GPRESSURE: 3476600 170.855 136.562 112.451 92.5613 -98.5581 44.4176 195.978 12.5964 -45.4684 PRESSAVG: 3476600 15.9514 -13.5374 21.6218 -13.5373 -30.5458 15.0521 21.6217 15.0521 -8.81519 GPRESSAVG: 3476600 14.9842 -15.2802 20.1085 -11.6381 -28.5169 14.0187 24.2178 15.1182 -9.49544 TIMING: 3476600 CPU: 10464.5, 0.00296561/step Wall: 10464.5, 0.00296561/step, 1.25495 hours remaining, 209.703125 MB of memory in use. ENERGY: 3476600 712.9458 2064.2584 1970.4425 120.4785 -206290.9831 17592.1876 0.0000 0.0000 34359.6666 -149471.0037 300.0715 -183830.6703 -149375.2427 298.7328 -25.6982 8.9427 554486.9826 -7.8032 -7.6760 PRESSURE: 3476800 -222.464 -170.532 -13.2933 -170.531 24.9921 -90.4593 -13.2937 -90.4612 -70.8876 GPRESSURE: 3476800 -171.415 -147.39 -3.79258 -129.294 64.3862 -144.852 65.8518 -111.397 -59.891 PRESSAVG: 3476800 -1.27125 -13.3202 -37.3864 -13.3202 18.6247 53.7618 -37.3864 53.7617 5.3201 GPRESSAVG: 3476800 -0.736009 -13.0588 -38.0315 -13.8483 18.3046 55.8733 -35.7799 51.6138 5.11316 TIMING: 3476800 CPU: 10465.1, 0.00298282/step Wall: 10465.1, 0.00298282/step, 1.26206 hours remaining, 209.703125 MB of memory in use. ENERGY: 3476800 756.0212 2108.3739 1954.9011 106.8743 -206296.1769 17723.0278 0.0000 0.0000 34253.6208 -149393.3576 299.1454 -183646.9785 -149294.0662 299.2128 -89.4532 -55.6398 556392.0812 7.5578 7.5606 PRESSURE: 3477000 11.4019 4.11055 -22.9895 4.10995 -98.4343 51.2549 -22.9889 51.2537 218.175 GPRESSURE: 3477000 47.4086 -39.8518 11.4629 53.015 -29.4026 57.2868 -41.1806 105.474 209.332 PRESSAVG: 3477000 19.8422 -86.807 -31.4069 -86.8071 -16.5975 -23.827 -31.407 -23.8271 -0.515351 GPRESSAVG: 3477000 18.7724 -86.6681 -31.2029 -84.6872 -16.2471 -26.4036 -31.8171 -23.3436 0.271806 TIMING: 3477000 CPU: 10465.7, 0.00298691/step Wall: 10465.7, 0.00298691/step, 1.26363 hours remaining, 209.703125 MB of memory in use. ENERGY: 3477000 752.2936 2083.3530 1933.0513 116.1358 -206572.7018 17926.4878 0.0000 0.0000 34361.8484 -149399.5321 300.0906 -183761.3805 -149303.6247 299.1355 43.7141 75.7794 557251.2069 0.9098 0.9324 PRESSURE: 3477200 -161.791 30.7782 -134.331 30.7777 139.977 -275.648 -134.331 -275.649 -27.3904 GPRESSURE: 3477200 -112.116 2.11035 -113.675 74.1504 111.313 -313.229 -121.116 -194.871 49.6612 PRESSAVG: 3477200 -5.74535 -26.8918 -3.37285 -26.8917 -26.7162 -34.485 -3.3728 -34.4849 -1.42934 GPRESSAVG: 3477200 -4.67552 -26.8506 -2.87395 -29.9574 -27.6283 -35.2474 -4.0052 -33.606 -1.87619 TIMING: 3477200 CPU: 10466.3, 0.0029637/step Wall: 10466.3, 0.0029637/step, 1.25364 hours remaining, 209.703125 MB of memory in use. ENERGY: 3477200 737.8872 2081.5124 1949.5375 105.6736 -206677.3688 17960.3430 0.0000 0.0000 34222.1407 -149620.2745 298.8705 -183842.4152 -149528.0069 298.5900 -16.4015 16.2864 556056.5624 -11.2970 -11.3933 PRESSURE: 3477400 -313.503 145.471 -118.667 145.47 -158.477 14.232 -118.666 14.2341 -255.397 GPRESSURE: 3477400 -349.335 139.445 -119.818 183.467 -153.353 26.5963 -147.936 -13.6244 -135.248 PRESSAVG: 3477400 -33.3626 24.6704 -38.4792 24.6705 1.90264 -51.0624 -38.4791 -51.0625 41.4397 GPRESSAVG: 3477400 -34.8723 25.9217 -39.6135 24.4183 3.76327 -49.9273 -38.4231 -51.5908 41.3333 TIMING: 3477400 CPU: 10466.8, 0.00296375/step Wall: 10466.8, 0.00296375/step, 1.2535 hours remaining, 209.703125 MB of memory in use. ENERGY: 3477400 781.0372 2035.7927 1999.9824 120.5456 -205927.3226 17512.0707 0.0000 0.0000 34015.1497 -149462.7444 297.0628 -183477.8941 -149378.7384 298.2921 -242.4591 -212.6455 557365.8467 3.3266 3.4081 PRESSURE: 3477600 -296.336 -32.2245 72.2723 -32.2251 -130.633 -2.22979 72.2721 -2.2294 -496.316 GPRESSURE: 3477600 -280.947 2.85889 34.4311 -35.8415 -91.4124 -42.0339 146.332 47.1273 -450.336 PRESSAVG: 3477600 3.50381 -12.1613 -19.2673 -12.1611 3.63051 -43.032 -19.2674 -43.0321 -44.5739 GPRESSAVG: 3477600 4.22247 -11.9311 -18.648 -12.3254 2.65968 -43.7652 -19.1903 -41.387 -44.2159 TIMING: 3477600 CPU: 10467.4, 0.0029638/step Wall: 10467.4, 0.0029638/step, 1.25336 hours remaining, 209.703125 MB of memory in use. ENERGY: 3477600 784.6829 2030.4666 1959.4986 127.1810 -206150.7783 17552.3055 0.0000 0.0000 34306.8709 -149389.7727 299.6104 -183696.6436 -149296.6587 298.5044 -307.7616 -274.2318 558153.3275 -12.4798 -12.4446 PRESSURE: 3477800 168.374 -164.686 33.8032 -164.686 125.322 68.3944 33.8032 68.3943 129.158 GPRESSURE: 3477800 168.088 -148.839 26.7176 -171.777 181.14 10.9597 29.5358 74.4368 157.11 PRESSAVG: 3477800 7.61594 -22.9741 -7.98493 -22.9741 17.9142 -16.3695 -7.98494 -16.3694 -23.1172 GPRESSAVG: 3477800 8.13455 -23.868 -9.13857 -20.4998 17.472 -16.8195 -5.87708 -16.5179 -23.7328 TIMING: 3477800 CPU: 10468, 0.00296589/step Wall: 10468, 0.00296589/step, 1.25408 hours remaining, 209.703125 MB of memory in use. ENERGY: 3477800 713.4394 2088.0607 1919.1023 119.9231 -206801.3185 18107.6674 0.0000 0.0000 34286.6479 -149566.4776 299.4338 -183853.1255 -149470.6977 299.0391 140.9515 168.7795 556897.7716 0.8043 0.6246 PRESSURE: 3478000 290.968 150.406 44.4771 150.405 47.9871 -130.563 44.4767 -130.564 85.9075 GPRESSURE: 3478000 314.69 102.471 -6.61134 158.477 119.18 -100.346 23.2354 -187.898 91.9058 PRESSAVG: 3478000 0.935338 -16.537 -7.28695 -16.537 59.0959 69.406 -7.28684 69.406 -43.997 GPRESSAVG: 3478000 0.3199 -18.7182 -5.66999 -15.6068 59.25 70.9391 -10.2102 65.994 -43.5622 TIMING: 3478000 CPU: 10468.6, 0.00297899/step Wall: 10468.6, 0.00297899/step, 1.25945 hours remaining, 209.703125 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: 3478000 713.7299 2114.9962 1948.3415 101.7467 -206841.8072 18134.2407 0.0000 0.0000 34381.2640 -149447.4882 300.2601 -183828.7522 -149351.1438 298.5892 141.6208 175.2586 556435.2584 5.3447 5.3359 PRESSURE: 3478200 79.1764 6.91927 -100.378 6.9189 -41.7984 -193.811 -100.377 -193.811 100.018 GPRESSURE: 3478200 76.6352 -67.6749 -84.6665 111.837 -11.1806 -180.563 -77.6982 -193.819 172.402 PRESSAVG: 3478200 29.9975 -37.6276 -21.4783 -37.6275 59.9046 -32.5166 -21.4784 -32.5165 -54.257 GPRESSAVG: 3478200 30.8931 -35.2359 -20.4685 -39.8822 59.7044 -33.2171 -21.9104 -29.2055 -54.4904 TIMING: 3478200 CPU: 10469.2, 0.00298056/step Wall: 10469.2, 0.00298056/step, 1.25995 hours remaining, 209.703125 MB of memory in use. ENERGY: 3478200 746.1401 2077.8073 1947.2301 113.3450 -206393.3078 17780.6103 0.0000 0.0000 34295.5273 -149432.6478 299.5114 -183728.1751 -149336.5284 299.0357 45.7985 79.2854 556390.6898 11.8817 12.0357 PRESSURE: 3478400 -169.407 -21.4898 -16.2492 -21.4916 186.792 -73.2451 -16.2489 -73.2451 -11.5132 GPRESSURE: 3478400 -164.311 50.2155 16.4632 -37.1004 213.873 -4.82117 28.9574 -119.331 32.2359 PRESSAVG: 3478400 -31.1388 22.1901 -12.4028 22.1902 72.9517 -11.8656 -12.403 -11.8656 -10.2635 GPRESSAVG: 3478400 -32.6796 22.7736 -12.0241 22.1195 73.1016 -12.0016 -12.953 -12.6828 -9.11925 TIMING: 3478400 CPU: 10469.8, 0.00297608/step Wall: 10469.8, 0.00297608/step, 1.25789 hours remaining, 209.703125 MB of memory in use. ENERGY: 3478400 734.2909 2081.8873 1947.7916 111.1771 -206296.7703 17705.5107 0.0000 0.0000 34028.3418 -149687.7710 297.1780 -183716.1128 -149589.1484 298.8067 1.9571 27.2659 557595.3329 10.5165 10.4342 PRESSURE: 3478600 32.7152 66.1406 -49.8345 66.1415 -90.7976 190.897 -49.835 190.895 70.341 GPRESSURE: 3478600 38.9766 66.0726 -0.752861 57.7307 -9.62608 116.076 -72.4473 214.994 67.9117 PRESSAVG: 3478600 -17.384 41.6938 10.168 41.6938 40.0915 -43.1386 10.1679 -43.1387 -46.972 GPRESSAVG: 3478600 -16.8089 40.4467 11.4581 42.868 40.4878 -43.9868 11.5874 -43.5304 -48.1119 TIMING: 3478600 CPU: 10470.4, 0.00298734/step Wall: 10470.4, 0.00298734/step, 1.26248 hours remaining, 209.703125 MB of memory in use. ENERGY: 3478600 736.7250 2056.2322 1940.0763 107.6463 -206386.1173 17851.3594 0.0000 0.0000 34058.0091 -149636.0690 297.4371 -183694.0781 -149541.2987 297.6177 4.0862 32.4207 558166.8270 -8.0882 -8.1443 PRESSURE: 3478800 -211.214 -53.5941 153.122 -53.593 -107.414 83.0113 153.123 83.0099 -202.235 GPRESSURE: 3478800 -149.221 -50.1733 155.386 -32.525 -131.891 95.1667 114.24 62.9257 -139.672 PRESSAVG: 3478800 14.6549 25.3038 -28.7833 25.3037 -8.59758 -3.1455 -28.7834 -3.14542 5.68216 GPRESSAVG: 3478800 15.0521 26.224 -31.3954 24.4233 -8.94752 -2.9242 -27.6445 -2.19783 6.10614 TIMING: 3478800 CPU: 10471, 0.00297782/step Wall: 10471, 0.00297782/step, 1.25829 hours remaining, 209.703125 MB of memory in use. ENERGY: 3478800 735.5969 2015.2936 1951.4590 116.5041 -206109.8940 17510.0217 0.0000 0.0000 34138.7729 -149642.2458 298.1424 -183781.0187 -149539.5895 298.3338 -173.6208 -140.2615 557129.1708 3.9132 4.0702 PRESSURE: 3479000 8.69034 -85.3642 -120.382 -85.3646 161.035 36.0903 -120.383 36.0893 316.176 GPRESSURE: 3479000 68.1823 -152.381 -155.186 -91.5957 170.451 23.7177 -153.294 79.2032 353.721 PRESSAVG: 3479000 -11.5419 -3.21385 32.4223 -3.21387 30.5077 -19.2253 32.4223 -19.2253 -25.9487 GPRESSAVG: 3479000 -10.6888 -2.80883 33.4764 -1.32712 29.3882 -18.4741 31.1392 -19.3766 -25.9183 TIMING: 3479000 CPU: 10471.6, 0.00297203/step Wall: 10471.6, 0.00297203/step, 1.25568 hours remaining, 209.703125 MB of memory in use. ENERGY: 3479000 709.0889 2096.4779 1951.3506 107.8567 -206993.7319 18073.8914 0.0000 0.0000 34453.9315 -149601.1348 300.8948 -184055.0664 -149503.9898 298.7584 161.9673 197.4514 555767.9853 -2.3276 -2.4063 PRESSURE: 3479200 100.756 38.9728 -38.4444 38.9726 195.389 53.9154 -38.4442 53.916 294.182 GPRESSURE: 3479200 81.8177 75.473 -44.6298 -3.63919 271.721 -5.26561 -71.7758 14.2552 338.945 PRESSAVG: 3479200 66.0935 40.718 5.35444 40.718 14.7974 44.7094 5.3545 44.7094 -27.5011 GPRESSAVG: 3479200 65.1915 39.2813 4.65712 38.827 16.2334 44.3444 5.73965 43.8629 -28.0951 TIMING: 3479200 CPU: 10472.2, 0.00296989/step Wall: 10472.2, 0.00296989/step, 1.25461 hours remaining, 209.703125 MB of memory in use. ENERGY: 3479200 722.8666 2048.6784 1952.2569 121.2945 -207020.7437 18174.1851 0.0000 0.0000 34198.4297 -149803.0324 298.6634 -184001.4622 -149704.8310 298.3887 196.7755 230.8279 556113.0192 17.7966 17.7766 PRESSURE: 3479400 68.9218 -2.53791 -5.0649 -2.53905 -76.3111 135.286 -5.06523 135.287 -117.689 GPRESSURE: 3479400 84.4127 70.0007 -38.43 -25.0516 -4.36491 158.292 -26.8057 123.427 -104.627 PRESSAVG: 3479400 -36.4245 25.3352 -6.6572 25.3352 23.1354 -9.04425 -6.65711 -9.04421 -12.1225 GPRESSAVG: 3479400 -36.1215 25.7734 -5.81228 27.677 23.1103 -7.93694 -8.57496 -8.32218 -12.1858 TIMING: 3479400 CPU: 10472.8, 0.00296697/step Wall: 10472.8, 0.00296697/step, 1.25322 hours remaining, 209.703125 MB of memory in use. ENERGY: 3479400 752.8079 2106.7477 1943.5580 100.2697 -206678.4674 17933.3021 0.0000 0.0000 34227.3175 -149614.4646 298.9157 -183841.7821 -149517.7255 298.5686 -41.6927 -8.1929 558512.9234 -8.4705 -8.3990 PRESSURE: 3479600 63.1198 -145.838 90.4609 -145.838 77.2082 -18.0138 90.46 -18.0136 -163.604 GPRESSURE: 3479600 111.026 -143.887 190.643 -114.743 94.9698 -74.6972 47.2266 45.6833 -124.431 PRESSAVG: 3479600 17.1254 11.5431 5.60938 11.5431 38.7408 -3.49423 5.60932 -3.49427 -34.2516 GPRESSAVG: 3479600 16.8519 14.0252 6.91919 9.65247 37.5872 -2.50081 5.09971 -3.83965 -32.6769 TIMING: 3479600 CPU: 10473.4, 0.00295265/step Wall: 10473.4, 0.00295265/step, 1.247 hours remaining, 209.703125 MB of memory in use. ENERGY: 3479600 736.5836 2122.3650 1973.6221 120.0880 -206647.1396 17897.8746 0.0000 0.0000 34314.4833 -149482.1231 299.6769 -183796.6064 -149385.2481 299.2548 -7.7588 27.1881 557495.8377 7.2049 7.2541 PRESSURE: 3479800 -133.677 -39.4153 3.45066 -39.4151 -138.208 66.4341 3.45165 66.4335 -47.8074 GPRESSURE: 3479800 -82.7709 -95.4651 36.1011 4.54622 -147.319 42.3735 16.3716 64.442 -0.620664 PRESSAVG: 3479800 20.8544 16.8149 -0.544601 16.815 30.4111 -3.03843 -0.544496 -3.03838 -30.35 GPRESSAVG: 3479800 21.9925 14.8534 -0.842083 15.9269 30.6654 -3.6227 0.263868 -5.64548 -31.6643 TIMING: 3479800 CPU: 10474, 0.00299383/step Wall: 10474, 0.00299383/step, 1.26423 hours remaining, 209.703125 MB of memory in use. ENERGY: 3479800 728.5738 2099.1543 1979.6852 115.7233 -206391.4044 17782.9389 0.0000 0.0000 34339.6862 -149345.6426 299.8970 -183685.3288 -149255.7456 299.1135 -106.5642 -76.9036 557889.8117 6.9719 6.9979 PRESSURE: 3480000 146.636 -107.99 -59.6598 -107.99 102.46 -171.101 -59.6603 -171.1 -26.9919 GPRESSURE: 3480000 185.629 -152.777 -138.618 54.9276 124.323 -221.845 -0.20725 -93.4495 9.79131 PRESSAVG: 3480000 57.3864 -34.5709 -65.2573 -34.571 -10.8611 15.1187 -65.2572 15.1186 -18.1712 GPRESSAVG: 3480000 56.9973 -33.7173 -67.7916 -32.7908 -11.2473 16.5114 -62.3229 15.8723 -17.2851 TIMING: 3480000 CPU: 10474.6, 0.00300136/step Wall: 10474.6, 0.00300136/step, 1.26724 hours remaining, 209.703125 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: 3480000 737.3190 2090.3569 1950.6816 116.3589 -206522.8365 18011.4985 0.0000 0.0000 34006.9754 -149609.6462 296.9914 -183616.6217 -149518.4679 298.6310 74.0348 106.5810 557171.7113 9.4514 9.4883 PRESSURE: 3480200 -1.03098 -197.007 140.552 -197.006 -124.143 -3.02296 140.551 -3.02156 195.541 GPRESSURE: 3480200 24.2948 -149.862 207.401 -186.897 -36.1831 -46.7656 100.152 24.2902 177.989 PRESSAVG: 3480200 7.30007 -39.692 14.8889 -39.6919 -49.4851 4.60409 14.8889 4.60408 51.5384 GPRESSAVG: 3480200 7.70755 -39.6164 16.0811 -40.44 -49.0278 3.11469 13.921 6.38581 50.4559 TIMING: 3480200 CPU: 10475.2, 0.00298604/step Wall: 10475.2, 0.00298604/step, 1.26061 hours remaining, 209.703125 MB of memory in use. ENERGY: 3480200 747.7428 2131.8906 1945.3110 119.7190 -206230.6778 17921.0043 0.0000 0.0000 34070.7027 -149294.3074 297.5479 -183365.0101 -149199.7113 298.2076 23.4558 55.3669 558614.5630 3.1178 3.0452 LDB: ============= START OF LOAD BALANCING ============== 10478.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10478.7 LDB: =============== DONE WITH MIGRATION ================ 10478.7 LDB: ============= START OF LOAD BALANCING ============== 10479 LDB: Largest compute 4794 load 0.029345 is 24.8% of average load 0.118101 LDB: Average compute 0.001720 is 1.5% of average load 0.118101 LDB: TIME 10479 LOAD: AVG 0.118101 MAX 0.205794 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.738 MB LDB: TIME 10479 LOAD: AVG 0.118101 MAX 0.205794 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.941 MB LDB: TIME 10479 LOAD: AVG 0.118101 MAX 0.205794 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.941 MB LDB: ============== END OF LOAD BALANCING =============== 10479 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10479 PRESSURE: 3480400 275.833 -112.457 -155.605 -112.457 -239.903 160.47 -155.605 160.469 -11.4484 GPRESSURE: 3480400 326.398 -151.201 -146.175 -107.611 -241.142 274.592 -87.43 58.9543 33.8499 PRESSAVG: 3480400 -20.2533 9.7874 -33.499 9.7874 41.9017 38.3311 -33.4991 38.3312 1.70742 GPRESSAVG: 3480400 -20.5648 9.12339 -32.5273 11.372 42.432 37.52 -34.1479 38.0434 1.12508 TIMING: 3480400 CPU: 10475.8, 0.00303779/step Wall: 10475.8, 0.00303779/step, 1.28229 hours remaining, 208.687500 MB of memory in use. ENERGY: 3480400 718.3962 2088.9968 1968.3592 117.3660 -206358.1993 17820.7732 0.0000 0.0000 34301.7172 -149342.5908 299.5654 -183644.3080 -149248.8485 298.2520 8.1606 39.7018 557197.0840 7.7853 7.6641 PRESSURE: 3480600 -82.4676 -30.2356 -49.7364 -30.2347 -53.8326 36.9721 -49.7369 36.9712 -323.952 GPRESSURE: 3480600 -58.3285 -41.5818 -61.6348 -63.8185 -16.0492 1.88033 -68.6838 148.871 -298.982 PRESSAVG: 3480600 24.7552 -23.2772 -18.5557 -23.2771 -8.19223 21.3726 -18.5558 21.3727 -14.8702 GPRESSAVG: 3480600 23.4679 -23.8391 -19.9085 -22.548 -6.71131 23.0756 -19.4935 21.2129 -15.2145 TIMING: 3480600 CPU: 10476.4, 0.00298181/step Wall: 10476.4, 0.00298181/step, 1.25849 hours remaining, 208.687500 MB of memory in use. ENERGY: 3480600 744.7136 2076.9625 1968.3606 117.8070 -205893.4244 17366.7412 0.0000 0.0000 34123.0003 -149495.8392 298.0046 -183618.8395 -149404.3243 298.3912 -153.4172 -124.4531 557819.2551 0.5642 0.5141 PRESSURE: 3480800 211.033 -70.6533 -102.579 -70.6533 183.206 -99.6741 -102.578 -99.6739 5.02923 GPRESSURE: 3480800 207.452 -51.8937 -159.55 -88.6295 227.278 -89.2486 -96.5018 -70.7175 54.1973 PRESSAVG: 3480800 31.5778 -4.35517 -19.3913 -4.3552 15.0328 52.2019 -19.3914 52.2019 -34.8008 GPRESSAVG: 3480800 32.2609 -3.66541 -16.8018 -3.89559 13.1568 49.2832 -21.0239 54.6474 -33.0589 TIMING: 3480800 CPU: 10477, 0.00296908/step Wall: 10477, 0.00296908/step, 1.25295 hours remaining, 208.687500 MB of memory in use. ENERGY: 3480800 725.0407 2078.8019 1937.5167 107.0129 -206659.9904 18142.5789 0.0000 0.0000 34157.7849 -149511.2544 298.3084 -183669.0393 -149409.6023 298.3871 133.0893 162.9757 559106.2077 3.9366 4.1196 PRESSURE: 3481000 215.805 -91.4246 10.7053 -91.4241 -112.625 -41.895 10.7056 -41.8955 -10.6811 GPRESSURE: 3481000 203.735 -71.2407 13.3975 -169.11 -40.9857 -7.55538 -79.0628 -108.436 38.2357 PRESSAVG: 3481000 -1.95685 15.3485 24.078 15.3485 17.5263 -27.4135 24.0781 -27.4136 22.2398 GPRESSAVG: 3481000 -1.97381 14.2728 23.9654 13.7737 18.0411 -24.3095 25.9186 -29.985 22.0715 TIMING: 3481000 CPU: 10477.6, 0.00299406/step Wall: 10477.6, 0.00299406/step, 1.26333 hours remaining, 208.687500 MB of memory in use. ENERGY: 3481000 756.0390 2081.2130 1954.2725 100.2530 -206303.2158 17826.3529 0.0000 0.0000 34107.9332 -149477.1521 297.8731 -183585.0853 -149381.6055 298.0842 30.8329 66.9950 557036.8803 12.6031 12.7129 PRESSURE: 3481200 85.1472 219.735 -94.5126 219.735 -4.17784 -71.4039 -94.5119 -71.4041 -103.349 GPRESSURE: 3481200 116.687 217.884 -156.374 315.641 17.4125 -131.695 -78.0366 0.282593 -57.9488 PRESSAVG: 3481200 38.7544 -49.2571 -12.3781 -49.2571 -18.595 32.4078 -12.3782 32.4079 -8.3148 GPRESSAVG: 3481200 39.2066 -49.0064 -14.8018 -48.0192 -18.1052 30.1954 -13.1717 33.8381 -8.85286 TIMING: 3481200 CPU: 10478.2, 0.00301052/step Wall: 10478.2, 0.00301052/step, 1.2701 hours remaining, 208.687500 MB of memory in use. ENERGY: 3481200 737.0948 2014.1425 1938.1989 105.8339 -206339.0167 17943.7638 0.0000 0.0000 34408.0243 -149191.9585 300.4938 -183599.9828 -149099.6338 298.5480 -7.4598 25.3837 558200.6876 3.9482 4.0829 PRESSURE: 3481400 -62.4383 79.3687 2.13759 79.3671 11.0405 7.71414 2.13758 7.71552 -62.2967 GPRESSURE: 3481400 -16.2559 98.6366 -2.90998 8.98966 21.8593 -66.9804 -14.6859 -10.463 -20.5458 PRESSAVG: 3481400 32.2023 63.9377 -31.1655 63.9377 -20.2392 16.0181 -31.1655 16.0182 38.8737 GPRESSAVG: 3481400 32.1976 62.0795 -32.1703 63.0821 -20.3294 17.3602 -29.1809 15.0107 39.0313 TIMING: 3481400 CPU: 10478.8, 0.00302317/step Wall: 10478.8, 0.00302317/step, 1.27527 hours remaining, 208.687500 MB of memory in use. ENERGY: 3481400 735.2594 2103.1162 1949.2367 106.0265 -205919.2733 17618.4139 0.0000 0.0000 34250.7313 -149156.4893 299.1202 -183407.2205 -149054.3705 299.8011 -37.8982 -4.9808 557326.3353 16.9456 16.9665 PRESSURE: 3481600 -154.387 146.816 85.0218 146.816 341.145 63.4152 85.0217 63.413 145.701 GPRESSURE: 3481600 -115.625 97.4301 33.1687 223.079 396.491 108.733 137.194 8.11448 166.928 PRESSAVG: 3481600 15.6706 8.16861 38.5071 8.16862 69.1475 41.861 38.5073 41.861 -80.0573 GPRESSAVG: 3481600 14.5962 9.79123 40.4138 8.81193 68.8152 40.8715 37.8495 42.3556 -78.6629 TIMING: 3481600 CPU: 10479.4, 0.00301758/step Wall: 10479.4, 0.00301758/step, 1.27275 hours remaining, 208.687500 MB of memory in use. ENERGY: 3481600 736.0019 2074.6612 1952.8144 122.9901 -206332.3339 17954.9811 0.0000 0.0000 34411.3111 -149079.5740 300.5225 -183490.8851 -148981.4628 298.9138 110.8198 149.2649 556709.7738 1.5869 1.5828 PRESSURE: 3481800 4.63684 -93.4159 -114.735 -93.4159 154.714 -40.5207 -114.734 -40.519 250.332 GPRESSURE: 3481800 63.2904 -173.439 -42.6314 -24.9271 121.358 -55.8198 -217.367 -4.1731 311.717 PRESSAVG: 3481800 -7.444 -12.8814 -50.5622 -12.8814 80.6279 10.8106 -50.5621 10.8108 -43.7933 GPRESSAVG: 3481800 -6.1865 -13.8867 -52.2376 -14.0499 80.6643 9.74363 -49.1911 12.1782 -44.8044 TIMING: 3481800 CPU: 10480, 0.00300053/step Wall: 10480, 0.00300053/step, 1.26539 hours remaining, 208.687500 MB of memory in use. ENERGY: 3481800 749.7660 2119.0040 1924.6319 99.0378 -205855.6097 17821.2261 0.0000 0.0000 34095.2284 -149046.7157 297.7621 -183141.9441 -148951.8896 299.1114 136.5609 165.4550 556962.4181 9.7969 9.8912 PRESSURE: 3482000 81.5847 19.9307 -146.932 19.9307 87.259 -69.013 -146.932 -69.0136 463.503 GPRESSURE: 3482000 156.586 -51.8026 -132.802 143.682 119.768 -22.8325 -135.964 -104.485 455.28 PRESSAVG: 3482000 -28.0048 -18.8635 -46.9894 -18.8634 26.8123 16.0413 -46.9895 16.0413 -22.2919 GPRESSAVG: 3482000 -28.0695 -16.7954 -44.6636 -19.0813 27.6571 17.0174 -48.0804 14.9893 -23.3844 TIMING: 3482000 CPU: 10480.6, 0.00296817/step Wall: 10480.6, 0.00296816/step, 1.25158 hours remaining, 208.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3482000 745.0520 2104.7741 1920.1403 105.1371 -206573.1467 18053.9239 0.0000 0.0000 34270.3576 -149373.7617 299.2916 -183644.1193 -149281.5196 298.8125 210.7823 243.8783 556851.2418 -7.8281 -7.9323 PRESSURE: 3482200 334.414 -32.7731 -109.131 -32.7729 80.3966 -20.2674 -109.13 -20.2684 85.2227 GPRESSURE: 3482200 378.792 -51.6822 -79.8492 -35.3347 42.5261 -9.948 -108.438 11.4681 177.719 PRESSAVG: 3482200 24.7489 -2.64189 -18.0325 -2.64186 -29.0435 -24.2289 -18.0324 -24.2287 58.6092 GPRESSAVG: 3482200 26.1144 -1.3793 -18.9817 -3.28547 -31.4889 -24.9296 -18.664 -24.0469 59.574 TIMING: 3482200 CPU: 10481.2, 0.00296457/step Wall: 10481.2, 0.00296457/step, 1.2499 hours remaining, 208.687500 MB of memory in use. ENERGY: 3482200 708.2132 2009.0502 1947.2898 115.5767 -206168.6821 17936.2786 0.0000 0.0000 34184.3711 -149267.9025 298.5406 -183452.2736 -149176.5171 298.8924 166.6777 199.6790 557101.5977 18.1049 18.0665 PRESSURE: 3482400 83.7784 -168.824 84.656 -168.824 142.472 28.1901 84.6572 28.1912 114.503 GPRESSURE: 3482400 126.26 -145.388 172.046 -131.456 98.0182 41.386 36.0602 11.8553 204.086 PRESSAVG: 3482400 -79.1297 45.0374 52.569 45.0373 -39.5074 14.0454 52.569 14.0453 58.1685 GPRESSAVG: 3482400 -82.0509 43.1682 53.0849 46.6203 -38.8008 13.8105 53.5548 14.7711 59.8643 TIMING: 3482400 CPU: 10481.8, 0.00299064/step Wall: 10481.8, 0.00299064/step, 1.26072 hours remaining, 208.687500 MB of memory in use. ENERGY: 3482400 705.2238 2064.0021 1955.5449 112.2157 -206143.2357 17766.3697 0.0000 0.0000 34193.7550 -149346.1245 298.6226 -183539.8795 -149246.4588 298.6969 113.5845 142.7884 554295.4702 -20.1562 -20.3291 PRESSURE: 3482600 48.6382 89.7786 -7.5087 89.7788 237.305 26.29 -7.50833 26.291 -96.9834 GPRESSURE: 3482600 53.3954 177.83 -20.2546 59.0034 265.074 -24.6541 5.35204 22.5272 -28.0814 PRESSAVG: 3482600 -16.1936 -7.20293 41.3184 -7.20286 -19.9818 7.54425 41.3183 7.54432 25.3348 GPRESSAVG: 3482600 -14.6598 -7.05724 39.4288 -9.02787 -19.5855 7.68579 38.6626 5.09301 23.8691 TIMING: 3482600 CPU: 10482.4, 0.00297948/step Wall: 10482.4, 0.00297948/step, 1.25585 hours remaining, 208.687500 MB of memory in use. ENERGY: 3482600 745.8523 2071.2063 1939.0816 114.4302 -206451.4768 17785.8799 0.0000 0.0000 34345.2252 -149449.8012 299.9454 -183795.0264 -149362.2459 299.1861 62.9865 96.7960 555693.9954 -3.6135 -3.4587 PRESSURE: 3482800 -285.972 108.727 -46.6443 108.726 -13.1128 28.4183 -46.6438 28.4175 55.6268 GPRESSURE: 3482800 -234.185 53.5446 -56.8062 127.741 22.5689 87.9025 -77.2538 78.7872 51.1171 PRESSAVG: 3482800 -46.1759 -19.6491 -0.898335 -19.6491 49.3459 10.8279 -0.898453 10.8279 39.8086 GPRESSAVG: 3482800 -44.1132 -20.5703 -1.58923 -17.9187 49.3231 11.6103 1.24089 13.2213 38.0158 TIMING: 3482800 CPU: 10483, 0.0029604/step Wall: 10483, 0.0029604/step, 1.24764 hours remaining, 208.687500 MB of memory in use. ENERGY: 3482800 765.0355 2021.8625 1938.7501 95.7224 -206298.6346 17728.8730 0.0000 0.0000 34289.1003 -149459.2908 299.4552 -183748.3911 -149362.8104 299.0121 -81.1528 -53.4998 556809.2206 14.3262 14.4086 PRESSURE: 3483000 -188.855 -37.6847 105.675 -37.684 47.7331 81.6067 105.675 81.6052 -224.996 GPRESSURE: 3483000 -139.253 -27.5212 134.831 -27.7986 17.6485 75.5875 106.553 92.5408 -147.722 PRESSAVG: 3483000 -27.226 -5.65312 -18.751 -5.65306 4.98269 65.9946 -18.751 65.9946 13.7705 GPRESSAVG: 3483000 -28.7517 -4.28203 -20.8082 -4.45454 4.6276 66.525 -17.092 63.1804 15.6285 TIMING: 3483000 CPU: 10483.6, 0.00297887/step Wall: 10483.6, 0.00297887/step, 1.25526 hours remaining, 208.687500 MB of memory in use. ENERGY: 3483000 771.5442 2024.4427 1945.6706 109.6653 -206034.4303 17658.4739 0.0000 0.0000 34098.9354 -149425.6983 297.7945 -183524.6336 -149332.9955 297.6108 -122.0394 -89.7754 557839.0878 -2.8243 -2.8318 PRESSURE: 3483200 59.2875 -0.301536 -61.794 -0.301697 123.581 29.2923 -61.7941 29.2924 231.664 GPRESSURE: 3483200 130.584 -23.5092 -61.8399 -33.4603 104.163 -25.4634 21.4747 18.5035 276.149 PRESSAVG: 3483200 -37.5246 -20.1392 8.89417 -20.1391 32.7321 -16.4979 8.89423 -16.4979 -1.83651 GPRESSAVG: 3483200 -37.3585 -21.3837 12.2893 -21.0891 34.3503 -17.4403 7.58937 -13.5318 -3.60718 TIMING: 3483200 CPU: 10484.1, 0.00297184/step Wall: 10484.1, 0.00297184/step, 1.25213 hours remaining, 208.687500 MB of memory in use. ENERGY: 3483200 704.7249 2130.5789 1968.7840 119.7860 -206666.0024 18002.5959 0.0000 0.0000 34291.5508 -149447.9819 299.4766 -183739.5327 -149360.2908 298.2560 138.1775 170.2988 557547.5671 -2.2097 -2.2051 PRESSURE: 3483400 -9.59347 136.648 81.0169 136.649 66.544 -3.49034 81.0158 -3.48997 159.107 GPRESSURE: 3483400 35.0781 150.573 104.784 139.831 96.1586 -18.5412 21.1781 37.2541 185.174 PRESSAVG: 3483400 63.2763 29.148 12.0803 29.148 58.2717 38.7152 12.0804 38.7152 -100.416 GPRESSAVG: 3483400 62.8991 32.8324 11.5415 28.8431 56.8046 38.8454 11.0461 39.0413 -98.8056 TIMING: 3483400 CPU: 10484.7, 0.0029655/step Wall: 10484.7, 0.0029655/step, 1.2493 hours remaining, 208.687500 MB of memory in use. ENERGY: 3483400 733.5594 2031.3691 1936.4325 107.8385 -206805.6377 18099.3546 0.0000 0.0000 34303.6053 -149593.4785 299.5819 -183897.0837 -149489.0301 298.3400 72.0191 105.4702 557264.6825 7.0439 6.9660 PRESSURE: 3483600 54.1258 -2.8682 87.1065 -2.8694 -263.189 10.0173 87.1055 10.0177 48.7932 GPRESSURE: 3483600 63.0864 -25.9244 146.837 49.5594 -219.897 -73.7257 55.4644 18.6385 101.237 PRESSAVG: 3483600 32.7246 -50.1482 23.293 -50.1482 21.6576 25.5792 23.2931 25.5791 -26.3475 GPRESSAVG: 3483600 33.1898 -52.8348 23.5119 -51.5959 22.8666 25.5515 23.5012 23.3245 -27.4018 TIMING: 3483600 CPU: 10485.3, 0.00297912/step Wall: 10485.3, 0.00297912/step, 1.25487 hours remaining, 208.687500 MB of memory in use. ENERGY: 3483600 710.2408 2049.9961 1943.6036 111.6613 -206126.2141 17639.3631 0.0000 0.0000 34233.3122 -149438.0371 298.9680 -183671.3493 -149343.3527 298.2310 -53.4234 -18.5244 557389.9577 9.3449 9.5515 PRESSURE: 3483800 -112.906 0.989358 49.3901 0.990653 -77.1925 -14.6101 49.3898 -14.6095 -291.127 GPRESSURE: 3483800 -84.0703 -44.6239 -11.1631 39.6038 -40.5398 -105.776 76.8331 28.2933 -247.863 PRESSAVG: 3483800 10.7767 8.88646 46.356 8.88635 4.54838 -36.7947 46.3559 -36.7947 -4.69989 GPRESSAVG: 3483800 11.0525 7.04068 47.4243 12.5326 3.58885 -38.1351 45.9935 -34.799 -4.06596 TIMING: 3483800 CPU: 10485.9, 0.00299707/step Wall: 10485.9, 0.00299707/step, 1.26226 hours remaining, 208.687500 MB of memory in use. ENERGY: 3483800 754.0659 2049.9064 1954.3021 119.7622 -205989.2677 17638.5266 0.0000 0.0000 34127.8794 -149344.8251 298.0473 -183472.7045 -149248.3997 298.4257 -160.4086 -124.1578 557567.3001 3.5417 3.5251 PRESSURE: 3484000 88.3051 91.3794 24.6862 91.3787 -254.089 55.9299 24.6862 55.928 -76.0479 GPRESSURE: 3484000 74.1673 99.3663 -35.5823 146.602 -214.664 2.9847 54.9255 60.9925 -18.6352 PRESSAVG: 3484000 55.1764 16.6986 14.7346 16.6985 -45.8789 9.80405 14.7346 9.80409 22.2675 GPRESSAVG: 3484000 55.5452 19.3816 11.4752 15.7729 -45.9722 11.3747 16.7798 8.31309 22.5837 TIMING: 3484000 CPU: 10486.5, 0.00299295/step Wall: 10486.5, 0.00299295/step, 1.26037 hours remaining, 208.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3484000 774.8463 2065.5806 1935.1631 113.2009 -206097.3198 17676.3334 0.0000 0.0000 34189.8584 -149342.3371 298.5885 -183532.1955 -149243.0995 298.5122 -80.6107 -53.0439 556947.4998 10.5217 10.7189 PRESSURE: 3484200 -48.0045 -8.34994 40.8119 -8.34915 28.5819 138.499 40.8118 138.499 131.875 GPRESSURE: 3484200 -27.6765 72.3591 62.5588 -34.4974 64.8854 120.882 -2.28791 127.32 164.576 PRESSAVG: 3484200 38.3194 50.0843 4.28929 50.0843 -42.5282 36.9071 4.28936 36.9072 -1.32141 GPRESSAVG: 3484200 38.9016 48.4645 4.91394 48.3658 -42.085 37.341 4.36077 37.3301 -2.26723 TIMING: 3484200 CPU: 10487.1, 0.00298613/step Wall: 10487.1, 0.00298613/step, 1.25732 hours remaining, 208.687500 MB of memory in use. ENERGY: 3484200 699.3236 2067.3214 1939.4957 110.9844 -206084.4375 17874.6720 0.0000 0.0000 34235.9876 -149156.6528 298.9914 -183392.6404 -149058.1953 299.0668 37.4842 67.2617 557065.9044 -1.8434 -1.8169 LDB: ============= START OF LOAD BALANCING ============== 10490.6 LDB: ============== END OF LOAD BALANCING =============== 10490.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10490.6 LDB: ============= START OF LOAD BALANCING ============== 10490.9 LDB: Largest compute 4794 load 0.027693 is 23.4% of average load 0.118199 LDB: Average compute 0.001715 is 1.5% of average load 0.118199 LDB: TIME 10490.9 LOAD: AVG 0.118199 MAX 0.203861 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.277 MB LDB: TIME 10491 LOAD: AVG 0.118199 MAX 0.203861 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.527 MB LDB: TIME 10491 LOAD: AVG 0.118199 MAX 0.203861 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.527 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10491 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10491 PRESSURE: 3484400 -104.931 257.722 83.2953 257.722 101.701 -44.8948 83.294 -44.8952 153.389 GPRESSURE: 3484400 -60.5866 183.432 53.2248 224.144 107.731 9.70033 78.7493 -104.218 191.133 PRESSAVG: 3484400 -11.5508 49.6455 -23.0454 49.6455 -7.2653 7.68493 -23.0453 7.68495 29.2678 GPRESSAVG: 3484400 -11.6885 48.5547 -21.7373 51.9729 -6.87453 7.3805 -24.8364 6.74261 28.7743 TIMING: 3484400 CPU: 10487.7, 0.00303284/step Wall: 10487.7, 0.00303284/step, 1.27682 hours remaining, 208.687500 MB of memory in use. ENERGY: 3484400 736.1162 2112.3915 1915.3734 105.3989 -206394.3345 18000.6526 0.0000 0.0000 34411.8778 -149112.5241 300.5275 -183524.4019 -149018.8751 299.7393 50.0530 79.4259 557193.7599 3.4839 3.4038 PRESSURE: 3484600 161.353 17.4304 -27.2591 17.4314 158.429 -7.37257 -27.2588 -7.3727 0.689291 GPRESSURE: 3484600 139.5 -23.0284 -20.5368 12.6658 204.994 -31.8191 37.1604 45.8671 73.5492 PRESSAVG: 3484600 32.1619 44.9486 26.2537 44.9487 1.83354 -33.9522 26.2536 -33.9522 -0.69101 GPRESSAVG: 3484600 30.9137 46.3786 24.199 42.8808 2.02539 -33.0327 29.0503 -33.9713 0.337748 TIMING: 3484600 CPU: 10488.3, 0.00295633/step Wall: 10488.3, 0.00295633/step, 1.24445 hours remaining, 208.890625 MB of memory in use. ENERGY: 3484600 746.1790 2098.2923 1940.2562 112.3776 -206367.7557 17941.3096 0.0000 0.0000 34307.1334 -149222.2077 299.6127 -183529.3411 -149117.6149 299.6701 106.8238 139.3477 557385.4484 11.1015 11.0923 PRESSURE: 3484800 38.3702 -81.656 51.7415 -81.6569 -233.881 0.599973 51.7421 0.598715 -77.5304 GPRESSURE: 3484800 56.9764 -105.199 50.2739 -33.1361 -142.095 50.4277 19.4014 -95.5919 -101.314 PRESSAVG: 3484800 -31.8096 7.26301 -26.6977 7.26295 -17.9989 -8.77924 -26.6977 -8.7793 49.6667 GPRESSAVG: 3484800 -31.5047 7.37692 -24.7356 8.07268 -18.5277 -8.75989 -29.1384 -10.2538 49.3899 TIMING: 3484800 CPU: 10488.9, 0.00296562/step Wall: 10488.9, 0.00296562/step, 1.2482 hours remaining, 208.890625 MB of memory in use. ENERGY: 3484800 762.7324 2016.7543 1952.2942 116.9068 -206158.9927 17678.2984 0.0000 0.0000 34169.9450 -149462.0617 298.4146 -183632.0067 -149360.9845 299.2033 -91.0136 -62.1441 557670.6739 -0.0473 -0.2142 PRESSURE: 3485000 -51.624 24.8022 39.3209 24.8023 -127.79 -5.97455 39.3203 -5.97513 -98.3821 GPRESSURE: 3485000 -33.5824 61.4564 44.3134 -23.3091 -88.6848 24.8352 29.0158 21.0651 -59.5378 PRESSAVG: 3485000 -38.7699 -22.9275 -12.2673 -22.9275 -34.7567 -23.3168 -12.2674 -23.3168 76.2214 GPRESSAVG: 3485000 -38.5442 -23.4662 -12.5022 -25.8721 -35.9007 -23.4936 -11.8764 -23.1475 76.7397 TIMING: 3485000 CPU: 10489.5, 0.0029992/step Wall: 10489.5, 0.00299919/step, 1.26216 hours remaining, 208.957031 MB of memory in use. ENERGY: 3485000 762.4941 2108.1370 1924.1552 110.3936 -206221.1071 17749.3488 0.0000 0.0000 34080.5606 -149486.0178 297.6340 -183566.5784 -149389.8308 298.5097 -92.5986 -60.6017 556452.5285 0.8982 0.7649 PRESSURE: 3485200 160.069 12.7491 -162.902 12.7514 -98.5646 1.20407 -162.901 1.20421 -101.402 GPRESSURE: 3485200 172.521 -32.8269 -205.528 -22.4273 -64.8671 96.1949 -198.081 24.5788 -58.8353 PRESSAVG: 3485200 -26.3359 -21.2252 7.23394 -21.2253 -12.0355 -12.9235 7.23397 -12.9235 20.6824 GPRESSAVG: 3485200 -27.4715 -21.5289 7.34712 -20.5426 -11.1779 -12.006 6.4117 -11.3479 20.6722 TIMING: 3485200 CPU: 10490.1, 0.00297708/step Wall: 10490.1, 0.00297708/step, 1.25269 hours remaining, 208.957031 MB of memory in use. ENERGY: 3485200 722.0662 2153.2867 1956.7060 106.0194 -206400.6743 17799.1740 0.0000 0.0000 34176.0113 -149487.4108 298.4676 -183663.4221 -149388.9888 298.6148 -13.2994 16.2729 556928.3022 -5.8963 -5.9924 PRESSURE: 3485400 -27.298 -26.899 -36.3571 -26.8986 -320.738 36.1666 -36.3585 36.166 -38.89 GPRESSURE: 3485400 -13.4235 -82.9337 75.8309 0.787049 -252.294 -7.51173 -115.814 46.8633 -10.4175 PRESSAVG: 3485400 7.95288 21.8054 -22.6235 21.8053 7.98628 -3.70177 -22.6235 -3.7018 -10.8383 GPRESSAVG: 3485400 8.75784 23.5265 -23.27 22.9404 8.03353 -6.58029 -22.6757 -3.89202 -11.4033 TIMING: 3485400 CPU: 10490.7, 0.0029558/step Wall: 10490.7, 0.0029558/step, 1.24357 hours remaining, 208.957031 MB of memory in use. ENERGY: 3485400 725.5994 2086.1193 1927.0243 133.4778 -206341.2288 17749.9144 0.0000 0.0000 34191.4853 -149527.6083 298.6027 -183719.0936 -149433.0113 299.0283 -128.9754 -92.0450 558248.1182 1.7003 1.7960 PRESSURE: 3485600 -23.8352 213.692 -1.80803 213.692 87.8855 -97.0989 -1.80852 -97.0984 -26.7035 GPRESSURE: 3485600 11.7333 225.579 -5.60764 110.352 81.4724 4.50238 3.00563 -34.4722 21.2173 PRESSAVG: 3485600 47.1279 28.5819 -30.452 28.5818 21.0064 24.9139 -30.452 24.9138 -42.9818 GPRESSAVG: 3485600 47.1044 26.8859 -30.0388 28.3825 20.7369 27.3127 -31.2408 24.2368 -42.6491 TIMING: 3485600 CPU: 10491.3, 0.00301364/step Wall: 10491.3, 0.00301364/step, 1.26774 hours remaining, 208.957031 MB of memory in use. ENERGY: 3485600 684.6901 2079.3220 1928.3980 102.0348 -206315.4451 17879.8170 0.0000 0.0000 34414.8125 -149226.3708 300.5531 -183641.1832 -149134.4882 299.2991 12.4489 38.1410 557764.3670 8.3842 8.3974 PRESSURE: 3485800 45.1553 -160.688 36.2651 -160.688 -286.804 62.7306 36.2665 62.7321 -103.762 GPRESSURE: 3485800 54.6559 -46.1642 59.0676 -242.562 -220.351 93.9232 8.65245 28.6509 -73.9637 PRESSAVG: 3485800 -4.63096 24.1645 27.5979 24.1645 -44.8119 -46.1245 27.5979 -46.1245 11.3184 GPRESSAVG: 3485800 -3.94881 23.2527 25.792 24.4916 -43.9928 -46.6759 29.5383 -46.166 10.4458 TIMING: 3485800 CPU: 10491.9, 0.00296489/step Wall: 10491.9, 0.00296489/step, 1.24707 hours remaining, 208.957031 MB of memory in use. ENERGY: 3485800 769.4246 2111.1420 1921.0642 110.4100 -206111.3342 17749.4172 0.0000 0.0000 34136.2927 -149313.5835 298.1207 -183449.8762 -149217.1704 298.8466 -115.1369 -79.8863 557440.8564 -12.7082 -12.4986 PRESSURE: 3486000 167.356 185.995 -2.27552 185.995 363.72 82.5949 -2.27533 82.5944 133.753 GPRESSURE: 3486000 212.755 130.41 -49.867 162.268 387.069 97.7576 -14.9945 74.6642 148.88 PRESSAVG: 3486000 37.616 -46.5187 14.5641 -46.5187 -38.1981 25.355 14.5641 25.355 7.09836 GPRESSAVG: 3486000 37.3349 -46.4132 15.7186 -45.54 -37.9126 26.0129 13.4293 25.0423 7.21042 TIMING: 3486000 CPU: 10492.5, 0.00297852/step Wall: 10492.5, 0.00297852/step, 1.25263 hours remaining, 208.957031 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: 3486000 703.6430 2129.1964 1962.4794 120.8865 -206610.5171 18036.2778 0.0000 0.0000 34208.3028 -149449.7313 298.7496 -183658.0341 -149354.8655 299.3899 221.6097 249.5681 555427.9242 2.1721 2.2109 PRESSURE: 3486200 147.974 -149.499 97.6039 -149.498 315.611 -2.23568 97.6042 -2.23352 349.755 GPRESSURE: 3486200 152.095 -169.637 173.824 -134.324 365.389 -6.45759 46.1214 10.9268 382.734 PRESSAVG: 3486200 18.1769 -30.0331 26.2441 -30.0331 -30.6687 -51.0574 26.2441 -51.0575 2.63223 GPRESSAVG: 3486200 17.6444 -30.2526 27.786 -28.8918 -31.3425 -49.9498 23.9084 -50.169 3.528 TIMING: 3486200 CPU: 10493.1, 0.00296879/step Wall: 10493.1, 0.00296879/step, 1.24838 hours remaining, 208.957031 MB of memory in use. ENERGY: 3486200 697.3622 2093.8335 1935.5453 110.8753 -206639.4770 18131.2225 0.0000 0.0000 34282.5525 -149388.0857 299.3981 -183670.6382 -149285.4375 298.1911 271.1135 300.0728 557134.3420 -3.2865 -3.3900 PRESSURE: 3486400 173.054 -184.526 97.6567 -184.527 -285.608 100.087 97.6559 100.088 127.878 GPRESSURE: 3486400 178.534 -214.787 55.0752 -159.808 -212.31 69.7006 98.1535 143.761 141.562 PRESSAVG: 3486400 7.32787 -1.65614 -10.5603 -1.65609 -13.9373 -35.3939 -10.5604 -35.394 -9.81814 GPRESSAVG: 3486400 6.66878 -2.15048 -10.3436 -1.07173 -13.8768 -36.3814 -8.82909 -36.4117 -8.89674 TIMING: 3486400 CPU: 10493.7, 0.002972/step Wall: 10493.7, 0.002972/step, 1.24956 hours remaining, 208.957031 MB of memory in use. ENERGY: 3486400 796.8767 2093.5502 1928.5253 105.9708 -206133.6233 17707.0566 0.0000 0.0000 34448.7906 -149052.8532 300.8499 -183501.6438 -148952.8996 299.3238 5.1080 35.9288 558183.3505 -5.4759 -5.3682 PRESSURE: 3486600 27.1303 -118.949 -33.5404 -118.949 169.701 -108.654 -33.5401 -108.653 70.0238 GPRESSURE: 3486600 53.1867 -46.8582 -89.8586 -96.8348 229.747 -85.3644 24.9236 -108.729 91.3018 PRESSAVG: 3486600 -30.1609 -4.96415 -40.6025 -4.96412 37.3605 -25.301 -40.6025 -25.301 -9.31011 GPRESSAVG: 3486600 -29.5852 -4.06835 -42.9087 -7.02353 37.797 -25.2635 -38.7237 -25.8702 -10.0786 TIMING: 3486600 CPU: 10494.3, 0.00299126/step Wall: 10494.3, 0.00299126/step, 1.25749 hours remaining, 208.957031 MB of memory in use. ENERGY: 3486600 744.2102 2086.1442 1955.5436 118.1688 -206053.9074 17935.9543 0.0000 0.0000 34277.1300 -148936.7563 299.3507 -183213.8863 -148849.5164 300.0545 88.9517 124.7450 559245.2351 -0.7035 -0.6223 PRESSURE: 3486800 208.713 -142.073 -64.6512 -142.072 181.879 161.835 -64.6517 161.836 -234.132 GPRESSURE: 3486800 285.641 -61.8664 -32.0175 -148.231 150.899 159.359 -72.9623 173.816 -176.138 PRESSAVG: 3486800 -67.0229 -4.09631 -7.93618 -4.09631 129.819 -3.94518 -7.93613 -3.94507 -88.4748 GPRESSAVG: 3486800 -66.1244 -3.06339 -6.87754 -2.8959 129.194 -4.92563 -9.21712 -2.8236 -89.0118 TIMING: 3486800 CPU: 10494.9, 0.00299675/step Wall: 10494.9, 0.00299675/step, 1.25963 hours remaining, 208.957031 MB of memory in use. ENERGY: 3486800 753.0790 2102.9942 1945.7177 105.4433 -206305.6170 17947.9478 0.0000 0.0000 34343.3212 -149107.1138 299.9288 -183450.4350 -149002.8035 299.7385 52.1533 86.8008 557375.2286 -8.5596 -8.6473 PRESSURE: 3487000 148.704 39.302 157.537 39.3015 -147.815 -76.1109 157.537 -76.111 -297.064 GPRESSURE: 3487000 180.661 -6.05324 99.5476 30.9698 -126.279 -53.9229 282.48 -65.1855 -250.161 PRESSAVG: 3487000 -39.927 15.382 -17.1319 15.3821 -2.47077 -25.4593 -17.1318 -25.4593 74.7509 GPRESSAVG: 3487000 -41.2916 13.8175 -17.7037 15.5968 -1.51224 -25.7003 -13.9588 -24.8271 75.449 TIMING: 3487000 CPU: 10495.5, 0.00297722/step Wall: 10495.5, 0.00297722/step, 1.25126 hours remaining, 208.957031 MB of memory in use. ENERGY: 3487000 741.5469 2111.5303 1937.2504 104.3486 -206009.0741 17652.3495 0.0000 0.0000 34339.7836 -149122.2647 299.8979 -183462.0483 -149019.3726 299.4886 -98.7247 -65.2595 557023.7646 10.7844 10.8817 PRESSURE: 3487200 -1.49325 -9.45686 -3.39635 -9.4571 94.9876 -233.725 -3.3973 -233.725 247.535 GPRESSURE: 3487200 89.853 -33.9112 28.5429 27.5601 106.588 -129.555 39.4916 -267.872 244.817 PRESSAVG: 3487200 -62.9091 -21.8552 42.0057 -21.8552 12.7603 -27.1419 42.0057 -27.1419 39.8465 GPRESSAVG: 3487200 -62.1479 -19.0108 41.1186 -23.6128 11.9435 -28.54 40.846 -28.1148 39.9867 TIMING: 3487200 CPU: 10496.1, 0.00298839/step Wall: 10496.1, 0.00298839/step, 1.25579 hours remaining, 208.957031 MB of memory in use. ENERGY: 3487200 755.4956 2048.4775 1941.1563 97.1223 -206200.8760 17890.5019 0.0000 0.0000 34282.9977 -149185.1247 299.4019 -183468.1223 -149083.9901 299.6475 113.6765 147.0861 557193.9309 -3.4341 -3.4059 PRESSURE: 3487400 -34.4778 -6.57348 25.2166 -6.57535 -64.7038 61.8693 25.2166 61.8701 -150.916 GPRESSURE: 3487400 -41.1108 37.6796 54.6818 -37.2955 -20.7774 -43.6898 21.6336 95.3379 -101.933 PRESSAVG: 3487400 -55.5906 15.4554 -19.8436 15.4554 -11.517 -5.95991 -19.8436 -5.9597 112.587 GPRESSAVG: 3487400 -54.9085 11.6084 -17.6033 15.0406 -12.0942 -2.32418 -23.3976 -4.06574 112.178 TIMING: 3487400 CPU: 10496.7, 0.00296483/step Wall: 10496.7, 0.00296483/step, 1.24572 hours remaining, 208.957031 MB of memory in use. ENERGY: 3487400 772.9287 2045.2369 1934.2294 125.4135 -206111.6272 17673.1441 0.0000 0.0000 34395.5607 -149165.1139 300.3850 -183560.6746 -149076.0338 299.7012 -83.3659 -54.6071 558272.6508 15.1599 15.0583 PRESSURE: 3487600 -62.6253 89.0991 193.76 89.0997 9.34686 -4.9191 193.761 -4.91939 -310.63 GPRESSURE: 3487600 28.9665 33.8921 166.255 16.5884 -21.7842 -67.6559 142.905 13.0244 -277.579 PRESSAVG: 3487600 45.3345 -29.4628 1.37563 -29.4628 -19.1245 3.8717 1.37568 3.87172 15.7379 GPRESSAVG: 3487600 44.0212 -27.1528 2.60261 -29.9335 -17.6079 1.46496 2.82956 2.50232 15.8202 TIMING: 3487600 CPU: 10497.3, 0.00296865/step Wall: 10497.3, 0.00296865/step, 1.24716 hours remaining, 208.957031 MB of memory in use. ENERGY: 3487600 785.7315 2163.6681 1934.5879 120.7722 -205594.3503 17380.3771 0.0000 0.0000 34192.2823 -149016.9311 298.6097 -183209.2134 -148920.2274 299.4818 -121.3027 -90.1323 556447.9405 13.9826 14.0778 PRESSURE: 3487800 201.818 -129.561 -164.971 -129.56 137.086 63.418 -164.971 63.4184 84.334 GPRESSURE: 3487800 236.425 -39.1862 -111.217 -72.9634 118.147 47.454 -170.983 67.9453 151.287 PRESSAVG: 3487800 20.1624 -22.8462 -4.83726 -22.8461 -40.8722 30.4403 -4.83719 30.4403 38.7399 GPRESSAVG: 3487800 19.8292 -23.6433 -6.05463 -20.9283 -40.1984 29.7625 -3.07644 29.5102 38.542 TIMING: 3487800 CPU: 10497.9, 0.00298855/step Wall: 10497.9, 0.00298855/step, 1.25536 hours remaining, 208.957031 MB of memory in use. ENERGY: 3487800 710.8262 2081.9655 1963.7872 112.2422 -206115.2589 17900.7463 0.0000 0.0000 34202.0781 -149143.6136 298.6953 -183345.6917 -149045.5578 298.8473 141.0794 168.6198 555343.6661 6.0100 6.0576 PRESSURE: 3488000 -162.721 61.7916 120.493 61.7919 -14.365 -21.8526 120.493 -21.8516 196.266 GPRESSURE: 3488000 -106.313 113.778 117.447 81.5366 58.0265 24.7752 111.1 -16.4289 163.517 PRESSAVG: 3488000 19.0454 16.3881 38.0551 16.388 -44.3146 -25.1309 38.0551 -25.1308 71.9723 GPRESSAVG: 3488000 19.5303 16.0323 40.1696 17.0457 -44.628 -25.2072 36.4759 -22.6365 71.9712 TIMING: 3488000 CPU: 10498.5, 0.00303315/step Wall: 10498.5, 0.00303315/step, 1.27392 hours remaining, 208.957031 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: 3488000 728.2722 2094.0584 1947.3293 112.0142 -206388.4627 17887.9082 0.0000 0.0000 34496.1097 -149122.7708 301.2631 -183618.8804 -149026.6377 299.6266 6.3935 38.4101 556169.6378 15.5677 15.6245 PRESSURE: 3488200 63.8873 -56.5662 1.14337 -56.565 -176.628 47.6129 1.14334 47.613 -0.630642 GPRESSURE: 3488200 65.3252 -70.2111 -11.2608 -1.82221 -123.149 57.6451 -51.838 43.4978 49.658 PRESSAVG: 3488200 -15.7786 23.8312 53.4312 23.8312 -9.30803 -28.484 53.4311 -28.484 13.1771 GPRESSAVG: 3488200 -15.2064 23.2525 52.544 22.1313 -10.0702 -27.7659 51.3583 -30.023 14.5082 TIMING: 3488200 CPU: 10499.1, 0.00301869/step Wall: 10499.1, 0.00301869/step, 1.26768 hours remaining, 208.957031 MB of memory in use. ENERGY: 3488200 756.5533 2092.6714 1956.0036 116.3899 -206102.0567 17753.7738 0.0000 0.0000 34076.9098 -149349.7548 297.6021 -183426.6646 -149252.7705 299.2815 -37.7905 -2.7220 558383.0006 -3.9698 -3.5895 LDB: ============= START OF LOAD BALANCING ============== 10502.6 LDB: ============== END OF LOAD BALANCING =============== 10502.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10502.6 LDB: ============= START OF LOAD BALANCING ============== 10502.9 LDB: Largest compute 4802 load 0.027072 is 22.9% of average load 0.118151 LDB: Average compute 0.001717 is 1.5% of average load 0.118151 LDB: TIME 10502.9 LOAD: AVG 0.118151 MAX 0.205999 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 10502.9 LOAD: AVG 0.118151 MAX 0.205999 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.402 MB LDB: TIME 10502.9 LOAD: AVG 0.118151 MAX 0.205999 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.402 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10502.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10502.9 PRESSURE: 3488400 -242.834 -69.1485 -1.10205 -69.1469 -32.2236 -76.045 -1.10059 -76.0478 -89.3326 GPRESSURE: 3488400 -224.103 -161.854 2.70242 2.67617 -42.8216 -58.1854 -18.9603 -29.8177 -17.169 PRESSAVG: 3488400 14.5388 -57.3245 65.4432 -57.3244 -26.2485 33.8493 65.4433 33.8491 5.94563 GPRESSAVG: 3488400 14.9796 -57.2708 63.293 -57.0877 -26.1461 35.5438 69.2953 33.7937 5.52964 TIMING: 3488400 CPU: 10499.7, 0.0030829/step Wall: 10499.7, 0.0030829/step, 1.29448 hours remaining, 208.687500 MB of memory in use. ENERGY: 3488400 721.9884 2065.4621 1953.4539 112.3252 -206145.6004 17730.0149 0.0000 0.0000 34297.3134 -149265.0424 299.5270 -183562.3558 -149174.4384 298.4770 -121.4634 -94.6979 558548.1564 -1.9214 -1.8789 PRESSURE: 3488600 -165.378 151.134 59.1353 151.136 9.48883 124.216 59.1367 124.217 13.3006 GPRESSURE: 3488600 -149.651 179.744 22.9083 126.49 19.5503 95.4425 133.553 149.335 71.9003 PRESSAVG: 3488600 -60.724 -0.561495 66.5987 -0.561565 -39.6646 6.08305 66.5987 6.08306 56.4784 GPRESSAVG: 3488600 -61.5338 1.92362 66.5966 -1.76383 -39.4122 4.98278 65.7244 7.22134 57.0889 TIMING: 3488600 CPU: 10500.3, 0.00301584/step Wall: 10500.3, 0.00301584/step, 1.26615 hours remaining, 208.757812 MB of memory in use. ENERGY: 3488600 744.6362 2124.6280 1951.1568 116.0839 -206082.9283 17795.9054 0.0000 0.0000 34150.0633 -149200.4548 298.2410 -183350.5181 -149101.3930 299.2413 -47.5294 -19.4002 557717.4576 -14.6367 -14.6191 PRESSURE: 3488800 12.4906 114.454 -76.6826 114.454 255.262 101.761 -76.6825 101.76 -259.623 GPRESSURE: 3488800 -15.6295 71.7128 -135.788 82.137 303.831 79.6914 -39.5244 34.7195 -181.119 PRESSAVG: 3488800 -27.6833 20.5701 5.87754 20.5701 30.231 -30.183 5.87746 -30.1828 6.66351 GPRESSAVG: 3488800 -27.201 19.3601 6.0637 20.108 28.8556 -30.9835 5.13688 -29.7553 7.46511 TIMING: 3488800 CPU: 10500.9, 0.00304195/step Wall: 10500.9, 0.00304195/step, 1.27694 hours remaining, 208.757812 MB of memory in use. ENERGY: 3488800 727.2895 2086.4105 1946.6600 117.6853 -206270.8641 17895.3148 0.0000 0.0000 34557.1852 -148940.3187 301.7965 -183497.5039 -148840.1380 299.5310 2.7098 35.6940 557933.0023 3.0704 3.0399 PRESSURE: 3489000 -362.214 -84.3479 -117.729 -84.3485 0.632014 105.234 -117.729 105.234 -137.209 GPRESSURE: 3489000 -331.722 -20.5691 -207.089 -150.806 8.584 106.89 -169.519 10.1114 -80.4042 PRESSAVG: 3489000 -10.7777 -3.36734 -29.934 -3.36727 10.6804 24.0072 -29.934 24.0072 -0.471942 GPRESSAVG: 3489000 -10.4201 -4.46677 -29.3803 -0.258676 11.484 24.6851 -30.1489 23.2588 -1.67435 TIMING: 3489000 CPU: 10501.5, 0.00300539/step Wall: 10501.5, 0.00300539/step, 1.26143 hours remaining, 208.757812 MB of memory in use. ENERGY: 3489000 744.8444 2058.9838 1942.2177 111.9622 -205812.4452 17564.0327 0.0000 0.0000 34430.5360 -148959.8684 300.6904 -183390.4043 -148855.7986 300.1367 -166.2635 -134.5142 558241.9535 -0.1897 -0.2035 PRESSURE: 3489200 -128.844 133.006 120.547 133.006 111.439 -139.407 120.547 -139.408 -64.4184 GPRESSURE: 3489200 -92.3899 89.4478 166.397 136.451 155.649 -122.661 124.843 -125.142 -53.5951 PRESSAVG: 3489200 -6.3143 4.25956 -45.7395 4.25964 -11.0984 -0.8623 -45.7394 -0.862316 13.4795 GPRESSAVG: 3489200 -6.9025 3.96534 -46.8855 5.59481 -12.0691 0.575086 -45.0147 -1.75182 14.9537 TIMING: 3489200 CPU: 10502.1, 0.00301913/step Wall: 10502.1, 0.00301913/step, 1.26703 hours remaining, 208.757812 MB of memory in use. ENERGY: 3489200 727.7237 2089.4241 1920.6164 113.3986 -205891.1497 17651.8219 0.0000 0.0000 34348.0483 -149040.1168 299.9700 -183388.1650 -148943.0634 299.3114 -27.2744 3.2214 558172.9758 -1.3111 -1.3393 PRESSURE: 3489400 -256.18 50.722 -17.4811 50.7209 -345.848 10.8366 -17.4811 10.8374 -198.765 GPRESSURE: 3489400 -172.795 109.397 -47.8202 65.2191 -333.736 45.4033 -80.115 18.1048 -181.551 PRESSAVG: 3489400 46.3152 68.1984 -18.9077 68.1984 -64.5409 -17.8397 -18.9077 -17.8396 -4.05893 GPRESSAVG: 3489400 46.4278 69.7315 -17.2704 65.2136 -62.7003 -18.5978 -20.5646 -18.7214 -5.41133 TIMING: 3489400 CPU: 10502.7, 0.00303322/step Wall: 10502.7, 0.00303322/step, 1.27277 hours remaining, 208.757812 MB of memory in use. ENERGY: 3489400 706.5239 2057.8408 1918.1641 112.7359 -205761.3851 17510.6010 0.0000 0.0000 34363.5331 -149091.9863 300.1053 -183455.5194 -148987.3212 299.5671 -266.9308 -229.3608 561007.1750 -7.4282 -7.2279 PRESSURE: 3489600 -198.856 15.1671 -24.1847 15.1667 -51.5883 60.4358 -24.1847 60.4348 -277.992 GPRESSURE: 3489600 -152.646 -58.2938 -35.131 52.538 -28.4622 26.9558 22.9712 52.4161 -244.75 PRESSAVG: 3489600 40.662 -13.632 17.4465 -13.6319 -5.08685 87.6434 17.4465 87.6434 -17.6067 GPRESSAVG: 3489600 41.7714 -16.1197 17.5981 -12.5409 -4.97792 85.629 19.9143 89.7824 -19.0881 TIMING: 3489600 CPU: 10503.3, 0.00301159/step Wall: 10503.3, 0.00301159/step, 1.26353 hours remaining, 208.757812 MB of memory in use. ENERGY: 3489600 781.7605 2056.1974 1909.2321 104.5609 -205414.2192 17445.0292 0.0000 0.0000 34227.0885 -148890.3507 298.9137 -183117.4392 -148793.5800 299.1472 -176.1452 -141.9527 560410.2163 5.9895 5.9018 PRESSURE: 3489800 37.1155 -39.4143 -48.4597 -39.4144 -15.4418 -52.2594 -48.4605 -52.2594 -207.081 GPRESSURE: 3489800 78.2129 -103.985 -20.9135 -68.8049 16.9652 8.07894 -95.1526 -94.8055 -190.724 PRESSAVG: 3489800 -0.788391 -22.0354 33.2015 -22.0354 43.5201 -5.41087 33.2016 -5.41092 0.45713 GPRESSAVG: 3489800 -1.05475 -19.7431 33.1435 -19.9757 43.2882 -3.34142 31.7297 -6.70555 1.2005 TIMING: 3489800 CPU: 10503.9, 0.002977/step Wall: 10503.9, 0.002977/step, 1.24885 hours remaining, 208.757812 MB of memory in use. ENERGY: 3489800 698.5646 2140.5199 1938.5229 126.1547 -205875.5841 17712.2932 0.0000 0.0000 34382.4260 -148877.1028 300.2703 -183259.5287 -148781.8885 299.8992 -61.8023 -31.8485 559592.4816 14.3963 14.4780 PRESSURE: 3490000 -168.616 116.254 -3.52265 116.254 -126.987 60.5485 -3.52185 60.5489 -103.61 GPRESSURE: 3490000 -131.561 85.3723 42.4105 102.637 -127.348 93.0141 13.2065 60.4657 -31.9695 PRESSAVG: 3490000 5.56727 -17.8229 -10.5342 -17.8229 -76.302 26.2581 -10.5342 26.2581 59.7691 GPRESSAVG: 3490000 4.10367 -16.9425 -11.3533 -19.575 -75.6755 27.6175 -9.9757 25.534 61.0422 TIMING: 3490000 CPU: 10504.5, 0.00298391/step Wall: 10504.5, 0.00298391/step, 1.25158 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: 3490000 764.8107 2079.5866 1926.0203 127.1433 -205789.8420 17798.3483 0.0000 0.0000 34239.0648 -148854.8680 299.0183 -183093.9329 -148760.9429 300.3214 -133.0710 -96.9594 559632.0895 -3.6552 -3.5099 PRESSURE: 3490200 -397.855 -52.7178 7.88708 -52.7173 -103.709 -286.909 7.88627 -286.909 149.935 GPRESSURE: 3490200 -368.365 -80.924 -66.0744 -30.4378 -48.2193 -230.985 59.5441 -218.677 168.756 PRESSAVG: 3490200 -101.388 -21.1767 -24.2568 -21.1767 1.54715 26.498 -24.2567 26.4981 48.5148 GPRESSAVG: 3490200 -100.052 -23.642 -25.956 -19.2824 0.949155 25.4025 -22.4633 26.2716 48.1892 TIMING: 3490200 CPU: 10505.1, 0.00299959/step Wall: 10505.1, 0.00299959/step, 1.25799 hours remaining, 208.757812 MB of memory in use. ENERGY: 3490200 734.8360 2090.1967 1958.4471 123.2975 -206206.5982 17840.5853 0.0000 0.0000 34475.1686 -148984.0669 301.0802 -183459.2355 -148887.7342 300.1625 -117.2095 -82.6093 559761.3369 -17.1088 -16.9713 PRESSURE: 3490400 173.757 -53.0069 -32.5993 -53.0073 10.4417 30.0596 -32.601 30.0606 120.581 GPRESSURE: 3490400 177.416 -65.0308 -26.6678 -37.8924 75.5603 4.51463 -70.4897 81.3032 144.351 PRESSAVG: 3490400 24.7055 -1.62616 39.8339 -1.6262 0.629823 17.9874 39.8339 17.9875 13.484 GPRESSAVG: 3490400 22.4025 0.841174 42.3524 -4.17908 1.83392 18.0048 37.7679 19.2508 14.7821 TIMING: 3490400 CPU: 10505.7, 0.00298243/step Wall: 10505.7, 0.00298243/step, 1.25063 hours remaining, 208.757812 MB of memory in use. ENERGY: 3490400 759.5573 2089.4106 1936.5460 110.8773 -206168.9194 17920.4330 0.0000 0.0000 34380.0130 -148972.0822 300.2492 -183352.0952 -148870.8079 300.3693 101.5934 132.4424 557867.1335 12.9398 13.0062 PRESSURE: 3490600 -300.055 67.8232 -80.7354 67.8236 -11.6779 75.653 -80.7341 75.653 107.205 GPRESSURE: 3490600 -232.472 54.9468 -51.596 196.006 24.0695 90.9427 -106.838 87.4175 111.187 PRESSAVG: 3490600 -29.3748 -8.03617 -20.8821 -8.03607 38.6785 33.3504 -20.8821 33.3505 -20.4449 GPRESSAVG: 3490600 -27.7078 -9.89202 -21.4844 -6.64029 38.1407 33.9136 -21.0404 31.5579 -21.5596 TIMING: 3490600 CPU: 10506.3, 0.00298912/step Wall: 10506.3, 0.00298912/step, 1.25327 hours remaining, 208.757812 MB of memory in use. ENERGY: 3490600 742.9583 2095.1843 1899.7884 103.9308 -205957.4592 17773.9719 0.0000 0.0000 34364.6328 -148976.9926 300.1149 -183341.6254 -148877.6156 300.2040 -68.1759 -32.4051 558396.6570 -3.7137 -3.7089 PRESSURE: 3490800 2.77972 -8.89285 174.99 -8.89172 -237.409 115.643 174.989 115.643 -164.732 GPRESSURE: 3490800 54.3594 -103.112 138.294 -9.75541 -189.941 68.2413 233.505 43.5533 -157.507 PRESSAVG: 3490800 3.5158 -38.5957 19.8569 -38.5957 8.92654 36.9728 19.857 36.9728 -57.8579 GPRESSAVG: 3490800 3.8599 -37.5775 18.1251 -38.0547 8.64772 35.2016 21.9496 37.1908 -58.2744 TIMING: 3490800 CPU: 10506.9, 0.0029741/step Wall: 10506.9, 0.0029741/step, 1.24681 hours remaining, 208.757812 MB of memory in use. ENERGY: 3490800 728.2044 2068.9811 1929.4794 110.6580 -206001.1628 17717.8493 0.0000 0.0000 34380.6910 -149065.2996 300.2551 -183445.9906 -148975.5169 299.2505 -133.1206 -97.6961 557689.1662 -15.1385 -15.2556 PRESSURE: 3491000 -28.3137 -179.34 32.1109 -179.34 61.0698 153.925 32.1113 153.925 -43.889 GPRESSURE: 3491000 -69.0506 -193.411 24.2294 -149.444 168.772 211.386 118.403 143.273 -11.9891 PRESSAVG: 3491000 31.0841 -4.97382 54.1077 -4.97386 68.3223 -19.8122 54.1076 -19.8122 -122.519 GPRESSAVG: 3491000 30.339 -5.8034 54.5805 -4.15913 69.0915 -17.6675 54.4512 -19.212 -122.865 TIMING: 3491000 CPU: 10507.5, 0.00297188/step Wall: 10507.5, 0.00297188/step, 1.24571 hours remaining, 208.757812 MB of memory in use. ENERGY: 3491000 751.3602 2078.4798 1920.5959 97.0537 -206215.6347 17781.1255 0.0000 0.0000 34378.4243 -149208.5952 300.2353 -183587.0195 -149106.5621 299.7707 -3.7110 29.2440 558184.3899 -7.7042 -7.8114 PRESSURE: 3491200 -198.889 0.585509 -32.8842 0.584442 -102.982 34.5211 -32.8854 34.5206 -266.765 GPRESSURE: 3491200 -182.717 56.6693 -99.3827 -35.7166 -22.7958 -12.3342 -23.3049 81.6133 -254.183 PRESSAVG: 3491200 -29.2301 4.63865 19.9664 4.6386 84.1106 -18.5379 19.9664 -18.5379 -64.9616 GPRESSAVG: 3491200 -27.7107 4.23642 20.5371 4.2616 83.6891 -20.3739 19.4264 -20.1386 -66.3126 TIMING: 3491200 CPU: 10508.1, 0.00298174/step Wall: 10508.1, 0.00298174/step, 1.24968 hours remaining, 208.757812 MB of memory in use. ENERGY: 3491200 727.4837 2027.3373 1940.1023 112.0026 -205670.1264 17336.7543 0.0000 0.0000 34286.8480 -149239.5982 299.4356 -183526.4462 -149142.0343 299.4604 -189.5452 -153.2322 556130.1225 -3.3604 -3.4447 PRESSURE: 3491400 278.185 58.547 -109.919 58.5479 173.358 -85.3767 -109.919 -85.3779 -62.4667 GPRESSURE: 3491400 269.578 45.1709 -152.422 120.708 198.286 -37.3825 -101.735 -81.3242 8.44615 PRESSAVG: 3491400 -24.7732 -7.09419 -32.0341 -7.09419 97.8183 -4.91822 -32.0341 -4.9182 -51.1764 GPRESSAVG: 3491400 -25.2253 -7.43021 -30.9116 -9.78341 97.0279 -3.46992 -32.5267 -3.6283 -50.0191 TIMING: 3491400 CPU: 10508.7, 0.00297445/step Wall: 10508.7, 0.00297445/step, 1.24646 hours remaining, 208.757812 MB of memory in use. ENERGY: 3491400 709.8672 2064.3448 1941.7029 113.7110 -206388.5286 18106.0388 0.0000 0.0000 34293.5889 -149159.2750 299.4944 -183452.8639 -149059.5177 299.5549 129.6918 158.7701 557001.0965 7.2896 7.2611 PRESSURE: 3491600 61.672 33.2425 281.93 33.2423 -158.511 76.2258 281.93 76.2266 209.67 GPRESSURE: 3491600 39.2775 19.3468 243.974 17.6754 -56.5889 88.3683 232.725 99.8637 233.526 PRESSAVG: 3491600 -6.56143 -10.5104 45.9456 -10.5103 9.55629 -8.6184 45.9456 -8.61827 41.9041 GPRESSAVG: 3491600 -7.39237 -10.6436 45.6431 -10.3122 10.4499 -10.1831 44.7117 -8.27737 42.543 TIMING: 3491600 CPU: 10509.3, 0.00297463/step Wall: 10509.3, 0.00297463/step, 1.24637 hours remaining, 208.757812 MB of memory in use. ENERGY: 3491600 772.3843 2089.2436 1936.0283 119.5820 -206308.2508 17924.9625 0.0000 0.0000 34272.7707 -149193.2793 299.3126 -183466.0500 -149097.5991 299.4677 37.6103 72.0716 557306.9738 14.9663 15.2002 PRESSURE: 3491800 -209.38 21.7016 40.7743 21.7008 32.9274 -219.265 40.7739 -219.266 217.147 GPRESSURE: 3491800 -139.565 44.4014 -59.7057 -13.1033 100.867 -192.647 97.239 -229.64 175.114 PRESSAVG: 3491800 -3.72697 -19.7605 19.7354 -19.7605 14.3629 -25.5827 19.7355 -25.5828 -24.8733 GPRESSAVG: 3491800 -3.36727 -19.8079 18.2417 -18.7937 13.4409 -24.2709 22.8447 -25.1495 -24.5797 TIMING: 3491800 CPU: 10509.9, 0.00298413/step Wall: 10509.9, 0.00298413/step, 1.25018 hours remaining, 208.757812 MB of memory in use. ENERGY: 3491800 738.8114 2031.8869 1920.7630 112.6215 -206039.9248 17709.9567 0.0000 0.0000 34282.3055 -149243.5799 299.3959 -183525.8854 -149144.5180 299.8076 13.5646 45.4719 556216.0360 -4.7458 -4.8354 PRESSURE: 3492000 -195.145 83.9434 69.8131 83.9435 -85.8217 48.8592 69.8144 48.8581 56.4694 GPRESSURE: 3492000 -179.388 54.4249 114.275 29.4353 -52.4874 64.552 86.8877 66.5144 107.534 PRESSAVG: 3492000 -20.0772 -26.9762 32.5741 -26.9762 38.4029 -34.3145 32.5741 -34.3144 -15.1482 GPRESSAVG: 3492000 -19.4618 -27.1857 33.1813 -24.3841 38.0079 -35.0972 31.1788 -34.1926 -15.5347 TIMING: 3492000 CPU: 10510.5, 0.00299074/step Wall: 10510.5, 0.00299074/step, 1.25279 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: 3492000 731.9646 2083.2296 1922.6532 112.9865 -205534.0131 17429.2759 0.0000 0.0000 34064.3113 -149189.5920 297.4921 -183253.9033 -149090.8275 299.8321 -74.8325 -41.4472 556190.1389 1.0592 1.0038 PRESSURE: 3492200 65.1077 47.6953 62.8125 47.6948 -256.422 29.5513 62.8111 29.5503 4.96537 GPRESSURE: 3492200 78.3873 54.0692 45.3094 76.7665 -225.482 29.2949 93.5489 -69.7908 49.5845 PRESSAVG: 3492200 9.07431 5.49009 18.0859 5.49008 19.9588 -6.38946 18.0858 -6.38956 1.18365 GPRESSAVG: 3492200 8.13402 6.70358 16.1026 2.70731 20.0583 -7.46974 19.4619 -8.09473 1.70991 TIMING: 3492200 CPU: 10511.1, 0.0030076/step Wall: 10511.1, 0.0030076/step, 1.25968 hours remaining, 208.757812 MB of memory in use. ENERGY: 3492200 737.7237 2075.1747 1925.6880 115.9938 -206121.5182 17590.3279 0.0000 0.0000 34337.0328 -149339.5774 299.8738 -183676.6102 -149244.6855 299.1261 -62.1163 -32.5035 557343.7297 10.0723 9.9674 LDB: ============= START OF LOAD BALANCING ============== 10514.6 LDB: ============== END OF LOAD BALANCING =============== 10514.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10514.6 LDB: ============= START OF LOAD BALANCING ============== 10514.9 LDB: Largest compute 4802 load 0.028252 is 23.9% of average load 0.118114 LDB: Average compute 0.001724 is 1.5% of average load 0.118114 LDB: TIME 10514.9 LOAD: AVG 0.118114 MAX 0.207481 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209 MB LDB: TIME 10514.9 LOAD: AVG 0.118114 MAX 0.207481 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.203 MB LDB: TIME 10514.9 LOAD: AVG 0.118114 MAX 0.207481 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.203 MB LDB: ============== END OF LOAD BALANCING =============== 10514.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10514.9 PRESSURE: 3492400 -431.902 -16.9026 2.60125 -16.9036 -109.836 -17.9743 2.60183 -17.9745 -194.55 GPRESSURE: 3492400 -373.932 5.23274 52.4871 38.9639 -93.4669 -9.2783 38.6727 -63.5028 -175.507 PRESSAVG: 3492400 -45.8979 32.5044 -4.84707 32.5045 10.6822 21.3738 -4.84712 21.3739 0.4595 GPRESSAVG: 3492400 -45.0053 33.288 -2.037 32.1525 11.1997 21.9845 -7.687 22.1148 -0.523075 TIMING: 3492400 CPU: 10511.7, 0.00304798/step Wall: 10511.7, 0.00304798/step, 1.27643 hours remaining, 209.125000 MB of memory in use. ENERGY: 3492400 758.3259 2116.2277 1980.9622 121.6108 -206119.4742 17469.8569 0.0000 0.0000 34306.7135 -149365.7773 299.6091 -183672.4908 -149270.1055 298.9889 -245.4293 -214.3021 558436.6776 -11.5854 -11.4429 PRESSURE: 3492600 -80.8071 130.628 -67.6941 130.627 63.5603 -163.171 -67.694 -163.17 64.1465 GPRESSURE: 3492600 -88.2909 158.33 -44.4355 23.8706 114.292 -151.547 -106.954 -134.308 132.304 PRESSAVG: 3492600 -46.2888 45.0517 40.6179 45.0518 92.928 -24.7402 40.6178 -24.7402 15.753 GPRESSAVG: 3492600 -46.593 43.1649 41.9591 44.3194 92.0759 -23.922 41.6507 -23.2735 16.8793 TIMING: 3492600 CPU: 10512.3, 0.00298303/step Wall: 10512.3, 0.00298303/step, 1.24906 hours remaining, 209.328125 MB of memory in use. ENERGY: 3492600 723.3152 2124.6938 1932.4896 121.8942 -206282.0686 17857.6887 0.0000 0.0000 34141.7660 -149380.2211 298.1685 -183521.9871 -149290.5665 299.0388 15.6332 52.7682 558215.4500 20.7974 20.7874 PRESSURE: 3492800 -299.741 80.0426 84.667 80.0426 -99.5152 -33.6419 84.667 -33.6423 58.3724 GPRESSURE: 3492800 -248.06 122.973 50.2709 42.2127 -76.7889 -0.251164 39.9069 -61.0762 82.8063 PRESSAVG: 3492800 -57.5573 -13.8324 17.5184 -13.8324 31.3088 47.2985 17.5184 47.2983 21.2587 GPRESSAVG: 3492800 -58.1606 -13.6495 15.9748 -13.5956 32.6864 47.9696 16.0663 46.2716 20.4915 TIMING: 3492800 CPU: 10512.9, 0.00295547/step Wall: 10512.9, 0.00295547/step, 1.23735 hours remaining, 209.417969 MB of memory in use. ENERGY: 3492800 762.6238 2078.1913 1973.2426 127.4653 -206299.9790 17720.3359 0.0000 0.0000 34210.6324 -149427.4876 298.7700 -183638.1200 -149331.4202 298.9383 -113.6280 -80.6807 557309.1324 -1.6633 -1.6609 PRESSURE: 3493000 -54.3926 -44.543 7.43076 -44.5427 50.3766 -106.785 7.4321 -106.787 267.731 GPRESSURE: 3493000 16.1639 -150.867 9.12622 28.1172 56.2794 -69.324 -57.9037 -108.508 291.918 PRESSAVG: 3493000 -22.8743 -5.27597 12.579 -5.27598 32.5896 -9.28607 12.5789 -9.28614 -6.78903 GPRESSAVG: 3493000 -23.8499 -4.35702 11.3596 -3.00317 32.9421 -11.0934 13.2541 -10.7645 -6.20102 TIMING: 3493000 CPU: 10513.5, 0.00295311/step Wall: 10513.5, 0.00295311/step, 1.2362 hours remaining, 209.417969 MB of memory in use. ENERGY: 3493000 739.7289 2096.7341 1965.1566 124.3691 -206583.4105 18055.3014 0.0000 0.0000 34092.7034 -149509.4170 297.7401 -183602.1204 -149418.3740 298.7188 87.9050 121.4537 556734.9734 0.9754 0.9638 PRESSURE: 3493200 -169.311 -80.4839 6.21638 -80.4841 357.456 200.212 6.21666 200.212 -36.5929 GPRESSURE: 3493200 -116.343 -80.5545 -37.5138 -90.6474 331.124 305.529 -29.3193 108.692 37.6342 PRESSAVG: 3493200 -65.4709 -41.7238 16.9321 -41.7238 29.1606 8.45871 16.9323 8.45876 17.9993 GPRESSAVG: 3493200 -64.2817 -44.9828 19.008 -40.8366 29.4647 9.07882 16.2442 9.99266 16.759 TIMING: 3493200 CPU: 10514.1, 0.00297928/step Wall: 10514.1, 0.00297928/step, 1.247 hours remaining, 209.417969 MB of memory in use. ENERGY: 3493200 742.3717 2121.2148 1948.0841 110.8862 -206196.6570 17850.0365 0.0000 0.0000 34074.0893 -149349.9744 297.5775 -183424.0638 -149251.6934 298.1610 50.5174 84.1385 557297.3982 -6.1037 -6.0194 PRESSURE: 3493400 21.9416 -19.4317 -24.7813 -19.433 231.561 -47.9053 -24.7805 -47.9057 185.439 GPRESSURE: 3493400 75.2069 -46.712 -16.3039 -102.491 208.095 -9.30037 -44.5429 -143.631 249.562 PRESSAVG: 3493400 -58.1544 25.2528 -52.6225 25.2529 29.7312 20.1921 -52.6224 20.192 14.7299 GPRESSAVG: 3493400 -58.5843 28.628 -53.4586 21.7819 27.6898 20.0637 -53.0485 19.3095 16.4825 TIMING: 3493400 CPU: 10514.7, 0.00299072/step Wall: 10514.7, 0.00299072/step, 1.25162 hours remaining, 209.417969 MB of memory in use. ENERGY: 3493400 732.2074 2074.2014 1921.3200 119.0546 -206407.5142 17904.1763 0.0000 0.0000 34377.5565 -149278.9980 300.2278 -183656.5545 -149188.4982 298.9250 146.3141 177.6212 555855.7065 -4.5644 -4.8040 PRESSURE: 3493600 274.235 102.216 166.492 102.216 114.135 24.8588 166.491 24.859 277.915 GPRESSURE: 3493600 294.085 135.211 174.962 50.6963 103.552 3.88646 164.018 -35.9976 361.141 PRESSAVG: 3493600 -36.1561 -84.7221 -10.7551 -84.7221 30.9433 24.5843 -10.7552 24.5842 31.3538 GPRESSAVG: 3493600 -36.2897 -86.6232 -10.0208 -82.0737 31.7613 26.0401 -9.49075 22.9453 30.5912 TIMING: 3493600 CPU: 10515.2, 0.00295546/step Wall: 10515.2, 0.00295546/step, 1.23669 hours remaining, 209.417969 MB of memory in use. ENERGY: 3493600 752.1606 2050.9236 1950.6092 114.6356 -206458.3935 17973.7543 0.0000 0.0000 34323.2922 -149293.0180 299.7538 -183616.3102 -149198.9970 299.0363 222.0951 252.9258 555503.9840 8.7137 8.6876 PRESSURE: 3493800 -144.626 -77.5606 161.392 -77.5603 -95.6626 -55.1187 161.393 -55.1195 -18.7235 GPRESSURE: 3493800 -76.6814 -146.423 160.487 19.4741 -99.1957 -34.4025 100.778 35.5578 9.36083 PRESSAVG: 3493800 14.9715 23.1701 3.79103 23.1701 4.69318 17.8547 3.79107 17.8548 41.3981 GPRESSAVG: 3493800 14.3091 24.3594 4.62987 21.9151 5.17823 17.3291 3.25733 20.8873 41.4747 TIMING: 3493800 CPU: 10515.8, 0.00296843/step Wall: 10515.8, 0.00296843/step, 1.24196 hours remaining, 209.417969 MB of memory in use. ENERGY: 3493800 737.4983 2103.2257 1899.8643 112.5339 -206284.6149 17874.6730 0.0000 0.0000 34240.7299 -149316.0898 299.0328 -183556.8197 -149218.0922 298.8250 -86.3373 -55.5054 558887.0242 20.3542 20.3207 PRESSURE: 3494000 112.301 -35.1197 -165.446 -35.1196 54.2217 -159.578 -165.446 -159.578 15.2903 GPRESSURE: 3494000 196.619 -55.521 -122.682 -9.06453 77.1106 -165.495 -208.981 -113.747 14.0081 PRESSAVG: 3494000 -39.1526 -45.6733 9.31985 -45.6733 27.085 -46.5047 9.31976 -46.5046 9.13461 GPRESSAVG: 3494000 -37.9991 -46.4074 6.90319 -47.6912 26.4333 -49.6718 10.5565 -47.6619 9.38937 TIMING: 3494000 CPU: 10516.4, 0.00297094/step Wall: 10516.4, 0.00297094/step, 1.24284 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: 3494000 728.2853 2058.4835 1926.0789 116.0579 -206569.1595 17971.4946 0.0000 0.0000 34525.5432 -149243.2161 301.5202 -183768.7593 -149148.1434 299.0358 60.6044 95.9124 557712.9539 -0.9777 -0.7255 PRESSURE: 3494200 194.15 -101.525 123.131 -101.524 -7.77697 0.484738 123.13 0.485253 342.468 GPRESSURE: 3494200 252.471 -88.2356 136.738 -84.8026 10.205 44.8278 128.419 -29.3859 378.616 PRESSAVG: 3494200 13.4016 -6.42168 8.6999 -6.42166 -19.0415 -27.3705 8.69973 -27.3706 -28.9166 GPRESSAVG: 3494200 13.0815 -7.12451 9.53795 -3.17784 -17.3326 -25.9752 9.78978 -27.5138 -29.8303 TIMING: 3494200 CPU: 10517, 0.00297844/step Wall: 10517, 0.00297844/step, 1.24582 hours remaining, 209.417969 MB of memory in use. ENERGY: 3494200 754.4612 2061.4990 1941.5898 109.3681 -206277.0091 18099.4786 0.0000 0.0000 34149.6259 -149160.9865 298.2372 -183310.6124 -149065.1740 298.8580 176.2806 213.7642 557876.1772 -11.5188 -11.3605 PRESSURE: 3494400 54.572 5.02278 59.44 5.02173 102.408 196.338 59.4398 196.338 -59.9531 GPRESSURE: 3494400 124.708 -12.9904 28.8067 -87.1062 118.477 198.777 113.429 187.209 -40.111 PRESSAVG: 3494400 42.9298 17.9438 21.4476 17.9438 -50.951 -41.6945 21.4475 -41.6944 3.67576 GPRESSAVG: 3494400 43.2379 17.8717 22.7417 17.7942 -51.9569 -40.7715 19.7472 -41.2415 4.41694 TIMING: 3494400 CPU: 10517.6, 0.00299314/step Wall: 10517.6, 0.00299314/step, 1.2518 hours remaining, 209.417969 MB of memory in use. ENERGY: 3494400 710.1901 2092.4753 1936.9810 112.0980 -206138.4277 17824.3922 0.0000 0.0000 34142.4461 -149319.8450 298.1745 -183462.2911 -149219.1383 299.2405 32.3422 67.6915 558638.3958 -1.4485 -1.4340 PRESSURE: 3494600 -2.38271 19.9894 -136.658 19.9887 85.8772 1.68057 -136.659 1.68099 -381.707 GPRESSURE: 3494600 60.9017 -11.7302 -127.099 45.1567 91.5562 -116.674 -198.14 61.8926 -356.998 PRESSAVG: 3494600 22.3402 -5.11713 15.4163 -5.11714 74.4228 13.6969 15.4164 13.6969 -94.9909 GPRESSAVG: 3494600 23.1271 -1.62391 14.8541 -7.43323 73.2597 13.6771 15.8293 14.174 -94.8165 TIMING: 3494600 CPU: 10518.2, 0.0030143/step Wall: 10518.2, 0.0030143/step, 1.26048 hours remaining, 209.417969 MB of memory in use. ENERGY: 3494600 732.7573 2091.8271 1950.1995 99.1153 -206314.9948 17694.8636 0.0000 0.0000 34256.5695 -149489.6625 299.1711 -183746.2320 -149382.9352 298.1790 -99.4043 -68.1801 558561.9543 0.5907 0.5234 PRESSURE: 3494800 -140.722 177.709 -132.411 177.708 -155.057 41.7264 -132.411 41.7244 -238.303 GPRESSURE: 3494800 -140.706 235.257 -39.4308 166.525 -142.873 16.6637 -231.52 43.682 -151.905 PRESSAVG: 3494800 24.2772 12.5235 -24.2655 12.5236 -10.792 -9.85546 -24.2656 -9.85549 3.21263 GPRESSAVG: 3494800 22.9143 11.6334 -23.6199 12.9014 -10.5438 -9.93174 -25.4548 -10.2365 4.78585 TIMING: 3494800 CPU: 10518.8, 0.00300671/step Wall: 10518.8, 0.00300671/step, 1.25714 hours remaining, 209.417969 MB of memory in use. ENERGY: 3494800 785.9295 2088.8274 1955.2216 110.4453 -206419.4854 17771.8946 0.0000 0.0000 34111.3709 -149595.7961 297.9031 -183707.1670 -149501.2443 299.3957 -178.0272 -145.1612 557044.6406 5.5659 5.7188 PRESSURE: 3495000 98.027 186.538 -172.781 186.539 -156.079 -26.7172 -172.781 -26.7178 -146.635 GPRESSURE: 3495000 122.441 254.094 -148.946 98.23 -137.731 84.7127 -100.113 -72.3698 -88.5614 PRESSAVG: 3495000 66.8456 36.6701 -17.4457 36.6701 -11.4088 37.3689 -17.4458 37.3688 -34.8192 GPRESSAVG: 3495000 65.9416 35.6708 -19.9715 36.4033 -8.97266 37.9467 -16.0619 35.3751 -36.1257 TIMING: 3495000 CPU: 10519.4, 0.00300549/step Wall: 10519.4, 0.00300549/step, 1.25646 hours remaining, 209.417969 MB of memory in use. ENERGY: 3495000 730.8184 2041.9621 1948.6367 101.8761 -206190.7277 17590.8311 0.0000 0.0000 34174.5324 -149602.0709 298.4547 -183776.6033 -149495.0197 298.6097 -68.2290 -34.6171 556128.8633 6.8726 6.9477 PRESSURE: 3495200 -26.9787 -94.2874 -111.492 -94.2883 39.1467 13.477 -111.492 13.4752 -162.211 GPRESSURE: 3495200 15.7435 -167.979 -73.9171 -63.8051 40.6178 58.6596 -88.1661 5.58923 -104.142 PRESSAVG: 3495200 -12.6539 -7.18366 -14.1076 -7.18364 17.5914 6.61522 -14.1075 6.61502 -4.73317 GPRESSAVG: 3495200 -9.931 -7.33207 -11.5127 -4.52942 14.9003 5.97069 -13.8577 8.55572 -5.57903 TIMING: 3495200 CPU: 10520, 0.00296219/step Wall: 10520, 0.00296219/step, 1.2382 hours remaining, 209.417969 MB of memory in use. ENERGY: 3495200 737.5084 2129.3392 1939.4269 112.6831 -206152.7076 17622.5332 0.0000 0.0000 34069.4941 -149541.7227 297.5374 -183611.2168 -149441.5775 298.3274 -50.0143 -15.9270 556495.4414 0.0681 -0.2033 PRESSURE: 3495400 24.0518 157.21 -9.29329 157.209 122.427 217.898 -9.29334 217.897 90.6678 GPRESSURE: 3495400 8.68507 115.819 25.1563 103.598 228.545 210.584 48.2103 203.214 105.555 PRESSAVG: 3495400 -31.3122 18.4056 -68.1457 18.4056 46.1305 26.2642 -68.1458 26.2643 -6.20846 GPRESSAVG: 3495400 -33.0122 16.8597 -69.4308 16.8512 47.4645 25.4542 -66.6447 26.9232 -5.61515 TIMING: 3495400 CPU: 10520.6, 0.00298769/step Wall: 10520.6, 0.00298769/step, 1.24869 hours remaining, 209.417969 MB of memory in use. ENERGY: 3495400 731.8938 2037.4286 1927.5218 113.3722 -206227.1770 17851.0189 0.0000 0.0000 34198.6986 -149367.2431 298.6657 -183565.9417 -149271.6202 298.6716 79.0488 114.2617 556211.9751 2.8699 2.9457 PRESSURE: 3495600 -229.786 94.0003 -24.6018 94.0004 -75.3962 -65.5969 -24.6024 -65.5958 -44.0143 GPRESSURE: 3495600 -234.643 56.7379 -94.3084 117.801 -46.6832 45.8116 12.1863 -87.4555 35.8725 PRESSAVG: 3495600 -71.4563 -26.6227 -28.2947 -26.6226 -17.9121 49.8566 -28.2946 49.8566 82.7829 GPRESSAVG: 3495600 -70.6425 -24.8844 -27.76 -27.0344 -18.4393 49.1505 -28.749 48.7501 82.4793 TIMING: 3495600 CPU: 10521.2, 0.00298325/step Wall: 10521.2, 0.00298325/step, 1.24667 hours remaining, 209.417969 MB of memory in use. ENERGY: 3495600 785.5322 2059.3379 1942.0539 126.7397 -206118.3442 17765.2392 0.0000 0.0000 34176.1972 -149263.2440 298.4692 -183439.4412 -149163.1039 299.1779 -116.3987 -81.8180 558063.4175 -2.1952 -2.2008 PRESSURE: 3495800 72.3164 97.7358 -158.083 97.7358 269.959 79.2736 -158.082 79.2722 562.052 GPRESSURE: 3495800 143.801 196.51 -261.071 0.062054 335.501 66.7088 -138.226 24.3769 511.58 PRESSAVG: 3495800 -74.429 2.49251 -34.0749 2.49244 31.8917 -15.4307 -34.075 -15.4307 56.4208 GPRESSAVG: 3495800 -74.5417 4.66859 -34.7088 0.829147 32.3487 -14.5796 -35.3769 -14.8953 55.7735 TIMING: 3495800 CPU: 10521.8, 0.00297745/step Wall: 10521.8, 0.00297745/step, 1.24408 hours remaining, 209.417969 MB of memory in use. ENERGY: 3495800 766.4937 2110.5464 1974.3073 117.9456 -206596.4032 18210.7859 0.0000 0.0000 34089.9948 -149326.3296 297.7164 -183416.3244 -149229.4506 299.2220 301.4423 330.2940 556873.0375 4.6278 4.5268 PRESSURE: 3496000 -247.536 5.1271 72.8223 5.12739 -342.635 -0.461745 72.8219 -0.460372 -72.8862 GPRESSURE: 3496000 -242.091 101.527 89.7196 -7.9081 -282.496 27.7166 92.659 -18.2623 -36.9808 PRESSAVG: 3496000 -60.5543 9.9541 -25.3071 9.95412 -15.0609 -27.4536 -25.3071 -27.4536 32.7405 GPRESSAVG: 3496000 -60.3152 8.40298 -25.1302 10.5844 -16.1035 -25.3794 -25.3116 -27.8854 33.5471 TIMING: 3496000 CPU: 10522.4, 0.00296223/step Wall: 10522.4, 0.00296222/step, 1.23755 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: 3496000 754.6225 2067.0568 1944.7501 122.2717 -206189.2592 17653.3270 0.0000 0.0000 34184.8510 -149462.3801 298.5448 -183647.2311 -149366.1597 298.8264 -221.0192 -187.1893 557847.4128 -14.2916 -14.2905 PRESSURE: 3496200 -59.1202 34.8369 -140.174 34.8354 349.149 -44.299 -140.173 -44.3 320.333 GPRESSURE: 3496200 -4.56499 -62.3504 -148.552 107.829 395.316 31.9765 -173.729 -70.8839 311.278 PRESSAVG: 3496200 13.181 -24.8314 65.5858 -24.8315 12.5286 -13.9425 65.5858 -13.9425 11.3268 GPRESSAVG: 3496200 11.7321 -23.5556 64.7355 -24.2147 12.8792 -14.9658 65.7592 -15.5379 12.4013 TIMING: 3496200 CPU: 10523, 0.00299767/step Wall: 10523, 0.00299767/step, 1.25219 hours remaining, 209.417969 MB of memory in use. ENERGY: 3496200 738.5520 2064.2414 1951.4614 121.1944 -206655.5123 18118.3674 0.0000 0.0000 34253.4241 -149408.2716 299.1437 -183661.6957 -149313.0941 298.8978 203.4540 234.0098 555933.4194 12.3454 12.3375 LDB: ============= START OF LOAD BALANCING ============== 10526.5 LDB: ============== END OF LOAD BALANCING =============== 10526.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10526.5 LDB: ============= START OF LOAD BALANCING ============== 10526.8 LDB: Largest compute 4794 load 0.028339 is 24.0% of average load 0.118164 LDB: Average compute 0.001722 is 1.5% of average load 0.118164 LDB: TIME 10526.8 LOAD: AVG 0.118164 MAX 0.205913 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.801 MB LDB: TIME 10526.8 LOAD: AVG 0.118164 MAX 0.205913 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.871 MB LDB: TIME 10526.8 LOAD: AVG 0.118164 MAX 0.205913 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.871 MB LDB: ============== END OF LOAD BALANCING =============== 10526.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10526.8 PRESSURE: 3496400 -311.091 55.1307 6.39632 55.1311 -62.2304 -6.78623 6.39594 -6.78564 -305.998 GPRESSURE: 3496400 -296.871 58.1527 -69.7762 104.214 -36.5756 -1.59973 21.2145 -55.1127 -236.077 PRESSAVG: 3496400 26.1412 -42.102 42.8305 -42.102 -2.94033 -3.71328 42.8305 -3.71337 -1.52671 GPRESSAVG: 3496400 27.9007 -43.9929 44.1347 -42.0804 -2.71303 -4.5039 41.1379 -2.05166 -3.47391 TIMING: 3496400 CPU: 10523.6, 0.0030442/step Wall: 10523.6, 0.0030442/step, 1.27146 hours remaining, 208.226562 MB of memory in use. ENERGY: 3496400 723.8043 2070.2959 1958.9340 117.8766 -206413.2957 17719.3023 0.0000 0.0000 34331.7805 -149491.3021 299.8280 -183823.0825 -149394.1177 298.8686 -226.4399 -189.8415 557782.9382 7.2247 7.2379 PRESSURE: 3496600 -52.3839 80.6833 -8.06432 80.6822 -86.6965 -177.489 -8.06424 -177.489 -10.991 GPRESSURE: 3496600 -63.6848 74.3443 -24.0732 170.299 -1.70843 -233.175 -71.3866 -159.142 13.4076 PRESSAVG: 3496600 -0.58212 -8.14521 31.9782 -8.14523 38.0073 -12.8946 31.9782 -12.8947 -14.0157 GPRESSAVG: 3496600 -0.354449 -6.34104 29.3741 -8.2693 38.0521 -14.5645 33.6574 -11.8059 -13.9929 TIMING: 3496600 CPU: 10524.2, 0.00297732/step Wall: 10524.2, 0.00297732/step, 1.24336 hours remaining, 208.429688 MB of memory in use. ENERGY: 3496600 755.2791 2062.4753 1927.1132 114.6864 -206231.9895 17756.2719 0.0000 0.0000 34049.7637 -149566.3999 297.3651 -183616.1636 -149464.6220 298.1760 -50.0238 -17.3286 557043.8693 7.8032 7.9016 PRESSURE: 3496800 -156.662 -163.11 -22.0355 -163.11 -18.4378 162.495 -22.036 162.497 -206.351 GPRESSURE: 3496800 -110.963 -178.927 53.6863 -148.824 21.8688 104.032 -28.8177 228.863 -195.839 PRESSAVG: 3496800 -64.2697 -15.7599 0.381883 -15.7598 22.198 34.4265 0.381846 34.4264 27.5058 GPRESSAVG: 3496800 -64.7223 -16.7993 2.83366 -13.8707 20.7992 36.1603 0.778017 33.9218 29.2847 TIMING: 3496800 CPU: 10524.8, 0.00297341/step Wall: 10524.8, 0.00297341/step, 1.24156 hours remaining, 208.429688 MB of memory in use. ENERGY: 3496800 720.0993 2124.6626 1926.8210 110.8892 -206270.1553 17776.8707 0.0000 0.0000 34036.1000 -149574.7125 297.2457 -183610.8125 -149478.1214 298.5630 -127.1501 -94.9779 558805.1258 -4.8553 -4.8795 PRESSURE: 3497000 -466.763 -37.1674 -127.591 -37.1681 -350.288 35.0383 -127.591 35.0367 -275.282 GPRESSURE: 3497000 -374.826 -50.9751 -104.097 -21.6256 -380.269 8.67671 -13.7681 66.1567 -233.538 PRESSAVG: 3497000 -0.104933 25.0577 -8.70245 25.0577 1.54919 -10.4044 -8.70248 -10.4043 -17.7395 GPRESSAVG: 3497000 -0.14529 24.3342 -7.95269 24.0551 2.17241 -10.8448 -9.11111 -10.5318 -18.8026 TIMING: 3497000 CPU: 10525.4, 0.00298996/step Wall: 10525.4, 0.00298996/step, 1.24831 hours remaining, 208.429688 MB of memory in use. ENERGY: 3497000 732.9008 2044.1727 1941.5813 111.0084 -205996.8222 17466.1313 0.0000 0.0000 34087.3791 -149613.6485 297.6936 -183701.0276 -149510.1117 297.8930 -364.1110 -329.5444 558318.1512 -5.4318 -5.5918 PRESSURE: 3497200 -146.3 -121.709 6.57083 -121.71 -261.424 -0.766306 6.57011 -0.766569 -338.732 GPRESSURE: 3497200 -163.011 -75.4548 -18.5676 -101.548 -224.401 -74.2765 87.0382 -10.7284 -248.686 PRESSAVG: 3497200 -7.24446 -12.6743 -1.77149 -12.6743 -20.8716 -2.71387 -1.77148 -2.714 42.8673 GPRESSAVG: 3497200 -7.58364 -13.2878 -5.50248 -10.6568 -21.323 -2.63339 0.392459 -3.34944 43.4968 TIMING: 3497200 CPU: 10526, 0.00297673/step Wall: 10526, 0.00297673/step, 1.24262 hours remaining, 208.429688 MB of memory in use. ENERGY: 3497200 733.7677 2101.4812 1903.3873 99.3735 -206017.1645 17536.7511 0.0000 0.0000 33917.9830 -149724.4207 296.2142 -183642.4037 -149628.3731 297.3873 -248.8185 -212.0323 558492.1439 4.9171 4.8634 PRESSURE: 3497400 -252.97 62.0598 -67.4685 62.0591 -49.0793 -4.53059 -67.468 -4.53115 -202.081 GPRESSURE: 3497400 -227.75 76.9769 -82.2365 -7.82663 -27.5767 -27.0118 -56.2887 -7.4791 -153.033 PRESSAVG: 3497400 4.26695 5.86407 11.1699 5.86414 50.6947 51.5307 11.1699 51.5307 -16.2895 GPRESSAVG: 3497400 3.80394 6.05094 14.6004 3.95479 51.4071 52.495 8.58375 51.8873 -16.7928 TIMING: 3497400 CPU: 10526.6, 0.00297697/step Wall: 10526.6, 0.00297697/step, 1.24255 hours remaining, 208.429688 MB of memory in use. ENERGY: 3497400 742.8193 2077.1672 1951.8476 117.0497 -206194.3572 17698.7385 0.0000 0.0000 34003.4577 -149603.2772 296.9607 -183606.7349 -149508.9722 297.4812 -168.0436 -136.1200 557251.8453 12.8907 12.8061 PRESSURE: 3497600 125.809 59.5681 11.987 59.5683 -140.599 80.1125 11.9869 80.1137 -129.708 GPRESSURE: 3497600 137.809 99.2868 -8.015 96.6424 -117.873 50.1057 39.2094 124.54 -81.7424 PRESSAVG: 3497600 39.459 11.5989 -35.8104 11.5989 10.8014 47.1429 -35.8103 47.143 -22.467 GPRESSAVG: 3497600 38.8545 13.2439 -37.2875 10.5736 10.5073 47.0946 -35.007 47.7911 -21.8767 TIMING: 3497600 CPU: 10527.2, 0.00297257/step Wall: 10527.2, 0.00297257/step, 1.24055 hours remaining, 208.429688 MB of memory in use. ENERGY: 3497600 746.7966 2084.9927 1936.0372 106.4620 -206226.5537 17707.9252 0.0000 0.0000 34122.4597 -149521.8803 297.9999 -183644.3400 -149419.4357 298.4454 -48.1657 -20.6018 556814.5007 9.2645 9.1617 PRESSURE: 3497800 -105.39 106.785 -13.2446 106.785 -22.0702 148.086 -13.245 148.087 170.666 GPRESSURE: 3497800 -82.4901 85.5488 21.9677 38.2421 12.5587 203.202 12.0478 46.0249 201.411 PRESSAVG: 3497800 -32.9707 20.8601 13.9334 20.8601 27.2987 54.4719 13.9334 54.4719 -2.66476 GPRESSAVG: 3497800 -33.2439 19.2842 15.2402 22.5257 28.3443 53.6484 12.8958 54.2404 -4.04187 TIMING: 3497800 CPU: 10527.8, 0.00297262/step Wall: 10527.8, 0.00297262/step, 1.24041 hours remaining, 208.429688 MB of memory in use. ENERGY: 3497800 722.3193 2111.9650 1923.0095 114.4644 -206551.7494 17911.7884 0.0000 0.0000 34288.4461 -149479.7567 299.4495 -183768.2028 -149376.1415 298.4134 14.4019 43.8267 557565.6160 -2.7789 -2.9805 PRESSURE: 3498000 103.643 -62.1919 -45.7359 -62.1924 -80.5163 39.9349 -45.7358 39.9367 -114.195 GPRESSURE: 3498000 156.646 -59.4155 -4.27148 -67.7838 -79.4572 92.6373 -54.4255 -41.8298 -72.6954 PRESSAVG: 3498000 -10.6264 -9.51278 -6.50742 -9.51275 -12.0878 37.4519 -6.50741 37.4519 25.1728 GPRESSAVG: 3498000 -9.93153 -7.28548 -7.95053 -10.5023 -13.3214 39.3158 -4.50587 35.4068 25.7812 TIMING: 3498000 CPU: 10528.4, 0.00299314/step Wall: 10528.4, 0.00299314/step, 1.24881 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: 3498000 749.9087 2118.5269 1910.7923 101.3026 -206206.6270 17789.9429 0.0000 0.0000 34172.3253 -149363.8282 298.4354 -183536.1536 -149262.7441 299.2025 -30.3563 1.4978 556573.6328 0.8195 0.8428 PRESSURE: 3498200 -25.8357 16.9179 -1.34792 16.9171 -153.157 -41.5665 -1.34737 -41.5664 83.5298 GPRESSURE: 3498200 59.9641 7.53298 -66.3481 82.2518 -111.479 0.12467 47.0846 -74.2562 47.1028 PRESSAVG: 3498200 -0.632526 -32.1311 -1.78538 -32.1312 20.334 13.6073 -1.78533 13.6072 -40.2474 GPRESSAVG: 3498200 0.849072 -34.577 0.045825 -30.4646 19.0261 12.3287 -4.19305 15.399 -40.5228 TIMING: 3498200 CPU: 10529, 0.00297355/step Wall: 10529, 0.00297355/step, 1.24047 hours remaining, 208.429688 MB of memory in use. ENERGY: 3498200 750.5330 2098.9508 1928.3725 115.4121 -206279.9809 17833.1948 0.0000 0.0000 34052.4472 -149501.0705 297.3885 -183553.5177 -149406.6214 298.7509 -31.8208 -1.4706 558024.8959 -6.8486 -6.8826 PRESSURE: 3498400 -0.0747027 72.7205 23.2744 72.7218 -53.1554 24.7263 23.2757 24.7273 -40.4515 GPRESSURE: 3498400 48.3962 -53.8118 79.8406 71.6101 -111.433 12.2685 -19.9614 -25.7882 72.3839 PRESSAVG: 3498400 30.016 -10.6501 -7.41347 -10.65 -14.3781 -20.0021 -7.41343 -20.0022 52.6255 GPRESSAVG: 3498400 28.5038 -10.867 -8.5963 -11.8685 -14.0938 -20.2046 -7.18458 -20.575 53.8876 TIMING: 3498400 CPU: 10529.6, 0.00298283/step Wall: 10529.6, 0.00298283/step, 1.24417 hours remaining, 208.429688 MB of memory in use. ENERGY: 3498400 739.9729 2058.7464 1927.3879 123.7823 -206502.2880 17783.8024 0.0000 0.0000 34233.9421 -149634.6540 298.9735 -183868.5961 -149536.8200 297.5872 -31.2272 3.1158 556485.4856 22.7545 22.7659 PRESSURE: 3498600 151.796 -63.2477 -58.9125 -63.2474 -5.36191 15.6094 -58.912 15.6093 105.238 GPRESSURE: 3498600 114.566 -37.8052 -47.4111 -63.2178 98.3189 20.796 -2.75248 -1.59504 137.862 PRESSAVG: 3498600 28.3347 -17.9565 -7.29373 -17.9565 18.5439 7.4135 -7.29374 7.41344 -13.8032 GPRESSAVG: 3498600 27.9782 -14.3688 -6.13617 -19.6837 19.8239 6.21017 -5.97519 7.69379 -15.1653 TIMING: 3498600 CPU: 10530.2, 0.00299207/step Wall: 10530.2, 0.00299207/step, 1.24786 hours remaining, 208.429688 MB of memory in use. ENERGY: 3498600 738.1702 2059.4393 1934.2271 119.7344 -206467.1738 17927.6629 0.0000 0.0000 34340.6824 -149347.2575 299.9057 -183687.9399 -149250.8526 297.7166 83.8906 116.9158 555868.2387 11.0251 10.8789 PRESSURE: 3498800 97.8557 -106.47 -19.1091 -106.47 -302.992 80.3267 -19.11 80.3285 -174.44 GPRESSURE: 3498800 129.688 -177.786 -72.2223 -110.814 -285.886 82.0397 -14.4528 116.575 -128.288 PRESSAVG: 3498800 -16.3392 -37.8438 -26.3646 -37.8439 6.63381 24.6627 -26.3646 24.6627 8.35744 GPRESSAVG: 3498800 -16.354 -40.5089 -28.267 -35.7503 5.68762 27.9194 -26.3971 23.5886 10.1508 TIMING: 3498800 CPU: 10530.8, 0.00298476/step Wall: 10530.8, 0.00298476/step, 1.24464 hours remaining, 208.429688 MB of memory in use. ENERGY: 3498800 752.5523 2099.8483 1948.7751 126.1240 -206078.7098 17559.9194 0.0000 0.0000 34168.4231 -149423.0676 298.4013 -183591.4907 -149329.3308 298.7617 -126.5255 -94.8286 556999.6199 -0.4493 -0.1719 PRESSURE: 3499000 217.581 115.096 188.701 115.095 186.367 42.4985 188.7 42.4983 106.884 GPRESSURE: 3499000 252.877 33.705 126.123 200.031 212.916 -17.8961 226.366 82.4922 147.729 PRESSAVG: 3499000 11.8372 21.2324 -42.9722 21.2324 -27.9684 -20.3221 -42.9723 -20.3222 26.128 GPRESSAVG: 3499000 12.4826 21.5557 -44.1827 21.2702 -26.3264 -22.4705 -42.4348 -18.27 24.4017 TIMING: 3499000 CPU: 10531.4, 0.00300285/step Wall: 10531.4, 0.00300285/step, 1.25202 hours remaining, 208.429688 MB of memory in use. ENERGY: 3499000 767.1838 2099.7240 1921.5631 122.8265 -206461.0631 18151.6048 0.0000 0.0000 33978.9881 -149419.1727 296.7470 -183398.1609 -149331.9624 299.2968 170.2775 204.5076 556321.1690 3.3323 3.5193 PRESSURE: 3499200 31.9009 284.022 -86.7794 284.023 -20.3416 177.83 -86.7788 177.83 -99.5777 GPRESSURE: 3499200 16.3565 227.516 -48.8354 267.281 2.21815 91.3321 -31.8872 266.948 -11.1417 PRESSAVG: 3499200 8.46983 44.5072 20.5065 44.5072 13.0436 0.0632042 20.5065 0.0631637 -17.3285 GPRESSAVG: 3499200 8.71106 44.9062 21.8431 44.7273 12.7348 1.38431 19.9725 -1.1059 -17.2502 TIMING: 3499200 CPU: 10532, 0.00302692/step Wall: 10532, 0.00302692/step, 1.26189 hours remaining, 208.429688 MB of memory in use. ENERGY: 3499200 775.1563 2077.4193 1946.5542 115.7671 -206942.7585 18058.5663 0.0000 0.0000 34582.2829 -149387.0125 302.0157 -183969.2954 -149288.2486 299.1542 -29.3395 2.4777 556156.1914 1.3950 1.3986 PRESSURE: 3499400 57.4166 12.0365 -107.792 12.0358 78.1041 27.6848 -107.792 27.6851 -168.057 GPRESSURE: 3499400 64.408 -15.9048 -45.7219 8.70988 135.871 116.595 -156.694 -45.1638 -138.152 PRESSAVG: 3499400 29.3884 26.7098 -50.4971 26.7098 -27.0309 -11.9525 -50.4971 -11.9525 10.9075 GPRESSAVG: 3499400 29.7391 27.011 -50.035 25.4394 -27.5807 -13.6638 -51.637 -10.6135 11.3938 TIMING: 3499400 CPU: 10532.6, 0.00301963/step Wall: 10532.6, 0.00301963/step, 1.25868 hours remaining, 208.429688 MB of memory in use. ENERGY: 3499400 740.6264 2095.1383 1947.3730 124.9750 -206553.2695 17819.6300 0.0000 0.0000 34476.9934 -149348.5335 301.0962 -183825.5268 -149252.1743 299.1064 -10.8454 20.7090 556407.6436 4.4217 4.5174 PRESSURE: 3499600 -157.973 -3.60951 -4.24094 -3.61022 16.5496 -87.9387 -4.2395 -87.9385 32.5917 GPRESSURE: 3499600 -134.349 -41.7007 33.6186 4.0074 63.8665 -90.6383 -19.889 -27.4728 47.825 PRESSAVG: 3499600 7.69816 48.1542 8.0423 48.1542 -7.4711 8.10807 8.04237 8.10801 -18.019 GPRESSAVG: 3499600 7.41904 47.1624 7.64895 49.3239 -7.42929 8.7751 8.54481 5.80124 -18.3135 TIMING: 3499600 CPU: 10533.2, 0.0029971/step Wall: 10533.2, 0.0029971/step, 1.24913 hours remaining, 208.429688 MB of memory in use. ENERGY: 3499600 757.8365 2090.3307 1958.9884 107.1255 -206187.2605 17659.6398 0.0000 0.0000 34220.8628 -149392.4768 298.8593 -183613.3397 -149299.8003 299.0909 -36.2773 -7.5526 555831.0225 -5.9306 -6.1079 PRESSURE: 3499800 309.979 79.5657 177.437 79.5651 128.291 79.4268 177.438 79.4266 95.5362 GPRESSURE: 3499800 396.933 148.248 159.489 -4.56473 152.78 -0.387462 151.486 92.4895 78.9761 PRESSAVG: 3499800 33.0885 -41.3428 -24.674 -41.3428 -59.1393 8.39716 -24.6739 8.39707 80.096 GPRESSAVG: 3499800 33.2286 -41.4278 -26.3099 -43.0809 -58.8476 7.01615 -23.4454 10.1748 79.6547 TIMING: 3499800 CPU: 10533.8, 0.00298217/step Wall: 10533.8, 0.00298217/step, 1.24274 hours remaining, 208.429688 MB of memory in use. ENERGY: 3499800 743.1138 2089.9583 1942.3052 101.9461 -206789.5249 18063.2598 0.0000 0.0000 34274.1857 -149574.7561 299.3250 -183848.9418 -149475.8207 298.8328 177.9352 209.5631 554653.3324 18.0151 18.0119 PRESSURE: 3500000 -160.425 189.376 -55.996 189.376 -153.13 175.753 -55.9964 175.754 -184.907 GPRESSURE: 3500000 -136.367 173.223 -50.4357 178.108 -162.482 182.984 -20.7132 202.641 -105.782 PRESSAVG: 3500000 25.1438 -34.3076 -2.71387 -34.3076 -31.6014 80.2031 -2.71384 80.2032 39.5022 GPRESSAVG: 3500000 25.2518 -33.9806 -1.99803 -32.5234 -33.1263 82.5698 -2.65041 76.751 40.5154 TIMING: 3500000 CPU: 10534.4, 0.00298106/step Wall: 10534.4, 0.00298106/step, 1.24211 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: 3500000 752.0257 2116.9694 1950.9354 101.5158 -206735.0533 17724.9110 0.0000 0.0000 34454.4444 -149634.2515 300.8992 -184088.6958 -149539.4761 298.5298 -166.1541 -134.8769 556630.8322 11.0149 10.8803 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3500000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 3500000 WRITING COORDINATES TO RESTART FILE AT STEP 3500000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3500000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3500200 -3.65744 129.104 -63.6424 129.106 -141.621 85.083 -63.6422 85.0814 -67.8826 GPRESSURE: 3500200 37.9676 200.475 -37.8848 119.625 -96.3107 114.883 -42.1768 30.865 -47.4392 PRESSAVG: 3500200 -48.3702 51.0407 -52.5421 51.0407 -9.44862 44.4126 -52.5421 44.4127 26.2654 GPRESSAVG: 3500200 -49.2635 51.7733 -51.8458 48.9048 -8.80614 42.686 -53.5426 47.1614 26.65 TIMING: 3500200 CPU: 10535, 0.00307359/step Wall: 10535, 0.00307359/step, 1.28049 hours remaining, 208.554688 MB of memory in use. ENERGY: 3500200 756.9999 2078.7350 1973.5324 114.8099 -206540.2476 17862.2101 0.0000 0.0000 34223.4053 -149530.5550 298.8815 -183753.9603 -149436.5999 298.6282 -71.0536 -35.2608 556471.0846 -10.5178 -10.4732 LDB: ============= START OF LOAD BALANCING ============== 10538.5 LDB: ============== END OF LOAD BALANCING =============== 10538.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10538.5 LDB: ============= START OF LOAD BALANCING ============== 10538.8 LDB: Largest compute 4773 load 0.028190 is 23.9% of average load 0.118167 LDB: Average compute 0.001720 is 1.5% of average load 0.118167 LDB: TIME 10538.8 LOAD: AVG 0.118167 MAX 0.202104 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.484 MB LDB: TIME 10538.8 LOAD: AVG 0.118167 MAX 0.202104 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.688 MB LDB: TIME 10538.8 LOAD: AVG 0.118167 MAX 0.202104 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.688 MB LDB: ============== END OF LOAD BALANCING =============== 10538.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10538.8 PRESSURE: 3500400 -122.439 -51.028 -184.898 -51.028 -29.5204 105.789 -184.897 105.788 250.315 GPRESSURE: 3500400 -13.6915 -45.5981 -264.324 51.022 -2.78436 76.8235 -143.627 139.762 226.933 PRESSAVG: 3500400 11.5498 36.2932 7.90607 36.2933 11.2659 -26.9769 7.90597 -26.9769 -7.67095 GPRESSAVG: 3500400 11.0751 36.766 7.00385 38.9447 12.4997 -26.8561 8.08696 -27.9007 -9.08286 TIMING: 3500400 CPU: 10535.6, 0.00303348/step Wall: 10535.6, 0.00303348/step, 1.26361 hours remaining, 208.488281 MB of memory in use. ENERGY: 3500400 763.7830 2019.0131 1915.6562 105.8529 -206580.1516 18073.0468 0.0000 0.0000 34183.9492 -149518.8504 298.5369 -183702.7996 -149427.2961 298.2048 32.7851 70.1522 556227.6948 5.0482 4.8306 PRESSURE: 3500600 -207.408 -29.3406 65.0234 -29.3418 -209.458 1.79999 65.0222 1.80155 -87.439 GPRESSURE: 3500600 -196.087 -90.3583 69.3014 54.6102 -154.755 67.7593 110.252 -10.2525 -61.2897 PRESSAVG: 3500600 75.3625 18.9704 -78.7786 18.9703 -0.597946 -15.9328 -78.7786 -15.933 -53.7478 GPRESSAVG: 3500600 74.5904 19.6356 -74.95 18.0091 -1.72917 -14.5409 -79.4784 -15.1207 -52.4552 TIMING: 3500600 CPU: 10536.2, 0.00296742/step Wall: 10536.2, 0.00296743/step, 1.23593 hours remaining, 208.691406 MB of memory in use. ENERGY: 3500600 708.0569 2085.5860 1949.4589 114.3897 -205911.1389 17501.8601 0.0000 0.0000 34115.8466 -149435.9407 297.9422 -183551.7873 -149336.0925 299.3457 -168.1017 -137.3772 558001.5624 7.0056 6.8020 PRESSURE: 3500800 74.5793 -49.2809 -103.899 -49.2808 -42.2061 60.2224 -103.899 60.2226 134.183 GPRESSURE: 3500800 81.1973 -50.1321 -111.369 -61.1844 -24.6552 97.1813 -62.7762 50.0628 197.954 PRESSAVG: 3500800 45.9053 -43.8892 -6.55877 -43.8892 -16.5985 -1.60107 -6.55879 -1.60109 -26.2806 GPRESSAVG: 3500800 47.0268 -45.474 -7.31465 -43.587 -16.823 -1.59493 -6.21699 -2.14296 -27.1823 TIMING: 3500800 CPU: 10536.8, 0.00296479/step Wall: 10536.8, 0.00296479/step, 1.23467 hours remaining, 208.691406 MB of memory in use. ENERGY: 3500800 750.5732 2028.9388 1928.9696 110.3082 -206518.6932 17872.0629 0.0000 0.0000 34323.9043 -149503.9362 299.7592 -183827.8405 -149414.8618 298.4745 55.5188 84.8319 557174.6800 1.0087 1.0072 PRESSURE: 3501000 113.784 80.9998 -29.6248 80.9985 -14.7406 -206.867 -29.6247 -206.869 -64.0491 GPRESSURE: 3501000 128.361 39.0379 -68.3123 137.245 17.1428 -134.582 45.8204 -257.259 -12.1821 PRESSAVG: 3501000 12.3271 23.7238 -11.9374 23.7236 -59.0679 -3.23256 -11.9374 -3.23268 18.9933 GPRESSAVG: 3501000 10.782 23.9177 -12.2365 22.8794 -57.8278 -5.23007 -12.1753 -1.91558 19.1449 TIMING: 3501000 CPU: 10537.4, 0.00296264/step Wall: 10537.4, 0.00296264/step, 1.23361 hours remaining, 208.691406 MB of memory in use. ENERGY: 3501000 744.5251 2036.8684 1938.9579 118.8100 -206599.4726 17881.6376 0.0000 0.0000 34192.7231 -149685.9505 298.6136 -183878.6736 -149593.6383 298.8439 11.6649 44.4405 557730.9736 -9.2492 -9.3003 PRESSURE: 3501200 -153.874 -52.8488 -118.012 -52.8487 88.1524 42.9913 -118.012 42.9918 -221.449 GPRESSURE: 3501200 -119.587 -76.7703 -76.4854 18.3942 89.3082 36.3221 -79.0537 23.4732 -158.067 PRESSAVG: 3501200 -24.4049 49.58 -49.0462 49.58 82.9918 -21.7273 -49.0462 -21.7272 1.64321 GPRESSAVG: 3501200 -23.6061 50.6016 -49.7625 50.181 82.7008 -20.8762 -48.7353 -23.5664 1.02439 TIMING: 3501200 CPU: 10538, 0.00297033/step Wall: 10538, 0.00297033/step, 1.23665 hours remaining, 208.691406 MB of memory in use. ENERGY: 3501200 753.1683 2045.4357 1946.1303 125.2361 -206310.1313 17636.0514 0.0000 0.0000 34184.2325 -149619.8771 298.5394 -183804.1096 -149525.8757 298.8018 -95.7236 -62.7819 555624.1769 20.0767 20.0397 PRESSURE: 3501400 153.235 0.819018 21.0061 0.819419 -70.4295 -100.018 21.0057 -100.018 -34.0538 GPRESSURE: 3501400 161.95 19.3896 8.8716 22.1467 -27.1619 -90.7731 5.46019 -138.895 7.63591 PRESSAVG: 3501400 -44.3178 -3.67941 30.3782 -3.6794 46.7505 -11.9331 30.3781 -11.9331 -2.51858 GPRESSAVG: 3501400 -44.2647 -3.9749 30.5152 -4.68049 47.3074 -12.3185 31.0646 -10.7563 -3.09617 TIMING: 3501400 CPU: 10538.6, 0.00299556/step Wall: 10538.6, 0.00299556/step, 1.24699 hours remaining, 208.691406 MB of memory in use. ENERGY: 3501400 718.6995 2022.8641 1934.4078 112.4520 -206322.1893 17936.2737 0.0000 0.0000 34062.6445 -149534.8478 297.4775 -183597.4922 -149442.1598 298.9807 16.2505 47.4747 557624.7228 -0.0286 -0.0178 PRESSURE: 3501600 64.3703 -39.8923 -90.0309 -39.8939 6.6505 -60.9998 -90.0315 -60.999 -59.1271 GPRESSURE: 3501600 16.8709 -157.204 -136.646 15.8544 102.112 -94.2461 -53.9071 -3.52365 -15.0382 PRESSAVG: 3501600 -20.3087 34.4019 11.6457 34.4018 23.5468 52.0912 11.6456 52.0911 19.5295 GPRESSAVG: 3501600 -20.0944 32.7413 10.6339 35.5125 23.1994 53.3188 11.2201 51.1001 19.9665 TIMING: 3501600 CPU: 10539.2, 0.00295484/step Wall: 10539.2, 0.00295484/step, 1.22987 hours remaining, 208.691406 MB of memory in use. ENERGY: 3501600 745.8263 2037.1684 1934.0718 113.3875 -206529.4074 17832.1361 0.0000 0.0000 34269.4276 -149597.3898 299.2834 -183866.8174 -149495.2933 298.8429 3.9646 34.6484 557320.1675 7.5892 7.6905 PRESSURE: 3501800 -119.534 -125.543 238.758 -125.545 -12.6719 -67.3515 238.759 -67.3519 82.2814 GPRESSURE: 3501800 -52.69 -113.68 200.385 -76.0247 58.8711 -151.992 231.336 -111.069 49.6629 PRESSAVG: 3501800 -33.5559 41.034 17.8427 41.034 -26.5663 27.5002 17.8427 27.5001 49.0136 GPRESSAVG: 3501800 -33.1051 43.6102 19.1041 40.9324 -26.9206 25.3043 17.2911 28.749 49.1177 TIMING: 3501800 CPU: 10539.8, 0.00296762/step Wall: 10539.8, 0.00296762/step, 1.23502 hours remaining, 208.691406 MB of memory in use. ENERGY: 3501800 739.5568 2048.3750 1997.2434 115.1947 -206305.1815 17591.0539 0.0000 0.0000 34263.0328 -149550.7249 299.2276 -183813.7576 -149449.1174 298.7502 -16.6416 18.6147 555343.6157 -3.7029 -3.6360 PRESSURE: 3502000 93.0139 6.37862 -133.958 6.3798 81.3907 -99.1331 -133.959 -99.1328 331.612 GPRESSURE: 3502000 195.358 -55.6627 -153.286 -7.86808 117.726 -141.022 -55.2622 -79.5459 301.68 PRESSAVG: 3502000 15.6415 -49.5715 -5.09922 -49.5715 -17.8092 -22.0067 -5.09919 -22.0067 -8.47063 GPRESSAVG: 3502000 15.9947 -48.8159 -6.96145 -51.3664 -19.5944 -23.3307 -4.83943 -23.5937 -7.71594 TIMING: 3502000 CPU: 10540.3, 0.00296048/step Wall: 10540.3, 0.00296048/step, 1.23189 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: 3502000 733.5849 2057.8310 1943.4298 103.3079 -206723.2935 18126.5697 0.0000 0.0000 34303.1666 -149455.4037 299.5781 -183758.5703 -149363.8222 298.5535 168.6721 204.9215 556379.4153 -3.5461 -3.7719 PRESSURE: 3502200 -83.8789 99.8564 184.463 99.8577 -121.763 65.5354 184.463 65.5353 15.3575 GPRESSURE: 3502200 -56.7895 79.5447 226.19 129.607 -89.8585 49.1334 132.783 119.187 47.6167 PRESSAVG: 3502200 -72.1072 -40.0856 2.45687 -40.0856 57.8019 15.8704 2.45687 15.8705 7.58325 GPRESSAVG: 3502200 -73.0119 -41.3445 2.3465 -38.223 58.6972 18.7389 1.80248 16.8461 7.50396 TIMING: 3502200 CPU: 10540.9, 0.00299174/step Wall: 10540.9, 0.00299174/step, 1.24473 hours remaining, 208.691406 MB of memory in use. ENERGY: 3502200 765.3308 2043.6463 1926.7454 106.4307 -206306.3171 17863.4451 0.0000 0.0000 34123.1053 -149477.6135 298.0056 -183600.7189 -149381.3273 298.9714 -63.4282 -33.0104 557341.2061 -2.2407 -2.2702 PRESSURE: 3502400 69.5258 102.445 168.06 102.444 -17.6453 -173.631 168.06 -173.629 231.255 GPRESSURE: 3502400 103.417 25.9878 149.326 158.201 32.1728 -105.507 155.98 -199.565 234.911 PRESSAVG: 3502400 -11.5991 -44.2339 35.71 -44.2338 10.2889 -19.1289 35.7101 -19.1288 16.8427 GPRESSAVG: 3502400 -11.705 -43.5873 36.8389 -46.9274 11.116 -19.1707 37.2489 -19.0549 16.2904 TIMING: 3502400 CPU: 10541.5, 0.00296164/step Wall: 10541.5, 0.00296164/step, 1.23204 hours remaining, 208.691406 MB of memory in use. ENERGY: 3502400 763.8652 2023.8201 1901.4466 107.7274 -206813.4052 18101.0446 0.0000 0.0000 34566.2849 -149349.2165 301.8760 -183915.5013 -149252.8895 299.5182 94.3786 123.5003 556000.8700 5.1775 5.2338 PRESSURE: 3502600 158.036 93.3488 114.569 93.3502 -13.4451 -118.884 114.569 -118.887 -146.865 GPRESSURE: 3502600 149.559 147.377 93.9068 38.5275 21.5056 -74.0303 155.044 -43.3079 -87.0215 PRESSAVG: 3502600 9.67177 -7.08415 41.5325 -7.08409 2.40431 19.0332 41.5326 19.0332 -0.939054 GPRESSAVG: 3502600 9.47165 -7.652 41.0251 -7.09529 2.06878 19.4217 41.6233 18.2681 -0.184602 TIMING: 3502600 CPU: 10542.1, 0.00295344/step Wall: 10542.1, 0.00295344/step, 1.22847 hours remaining, 208.691406 MB of memory in use. ENERGY: 3502600 690.8818 2054.0683 1936.2548 120.5246 -206009.1394 17680.7709 0.0000 0.0000 34197.1797 -149329.4592 298.6525 -183526.6389 -149239.0197 299.5012 -0.7580 28.0144 556878.7317 3.7123 3.7853 PRESSURE: 3502800 104.048 63.4441 139.754 63.4436 165.296 -184.12 139.755 -184.122 90.4508 GPRESSURE: 3502800 159.548 6.51032 101.689 33.1393 160.504 -253.83 160.69 -129.282 131.793 PRESSAVG: 3502800 -25.2607 -7.33344 8.505 -7.33346 -26.073 47.674 8.5051 47.674 61.2245 GPRESSAVG: 3502800 -25.0974 -7.82878 7.60638 -4.87969 -27.2351 46.332 7.45466 48.4263 61.9586 TIMING: 3502800 CPU: 10542.7, 0.00300083/step Wall: 10542.7, 0.00300083/step, 1.24801 hours remaining, 208.691406 MB of memory in use. ENERGY: 3502800 721.3901 2084.9024 1944.7762 103.2963 -206369.5626 17930.2503 0.0000 0.0000 34352.3504 -149232.5968 300.0076 -183584.9472 -149132.9580 299.2697 119.9315 150.6151 556958.3978 3.2969 3.2087 PRESSURE: 3503000 -217.013 -23.5701 10.0388 -23.5711 -70.3125 -128.353 10.0387 -128.353 44.6621 GPRESSURE: 3503000 -191.019 33.6162 -17.7389 15.5983 -51.1315 -63.3166 68.8413 -88.0711 109.603 PRESSAVG: 3503000 -1.51688 10.3481 41.6711 10.348 -32.4793 3.0007 41.6711 3.0007 -11.9545 GPRESSAVG: 3503000 -1.43711 11.1748 42.8407 11.5277 -32.2965 1.86743 41.5385 3.13949 -12.1939 TIMING: 3503000 CPU: 10543.3, 0.00300734/step Wall: 10543.3, 0.00300734/step, 1.25055 hours remaining, 208.691406 MB of memory in use. ENERGY: 3503000 740.1444 2058.3222 1915.4586 111.1115 -206053.5234 17745.1668 0.0000 0.0000 34169.9767 -149313.3431 298.4149 -183483.3198 -149217.6880 298.6836 -80.8878 -44.1828 556898.6209 -15.3169 -15.3092 PRESSURE: 3503200 217.105 -164.237 92.4365 -164.237 -89.6317 -81.3201 92.435 -81.3198 169.832 GPRESSURE: 3503200 251.019 -166.942 68.0534 -104.689 40.1199 -34.9473 133.529 -136.065 96.2624 PRESSAVG: 3503200 18.4009 -24.9158 -38.3093 -24.9158 -23.0641 -12.1627 -38.3092 -12.1629 39.7468 GPRESSAVG: 3503200 18.165 -23.5811 -37.7406 -28.0392 -22.2861 -10.3315 -36.8913 -12.1297 38.8546 TIMING: 3503200 CPU: 10543.9, 0.0030005/step Wall: 10543.9, 0.0030005/step, 1.24754 hours remaining, 208.894531 MB of memory in use. ENERGY: 3503200 726.7567 2078.0891 1961.3104 108.2625 -206336.6755 17862.2122 0.0000 0.0000 34326.3400 -149273.7045 299.7805 -183600.0445 -149175.5683 299.4424 99.1018 129.1338 554580.0606 11.6945 11.5778 PRESSURE: 3503400 -163.686 -81.9022 -142.376 -81.9012 -76.1315 -178.797 -142.376 -178.797 -56.7697 GPRESSURE: 3503400 -135.181 -75.6324 -88.0294 -75.8497 -64.201 -215.912 -77.1951 -140.383 9.07357 PRESSAVG: 3503400 -24.7284 -0.434873 5.51197 -0.434718 33.763 -27.4838 5.51189 -27.4839 14.9347 GPRESSAVG: 3503400 -24.1329 -2.19449 4.27444 0.511275 32.8767 -28.7995 3.42699 -27.4735 15.769 TIMING: 3503400 CPU: 10544.5, 0.00300037/step Wall: 10544.5, 0.00300037/step, 1.24732 hours remaining, 208.894531 MB of memory in use. ENERGY: 3503400 709.7954 2085.4572 1951.2055 114.7683 -206234.0882 17682.6744 0.0000 0.0000 34371.2284 -149318.9589 300.1725 -183690.1873 -149219.3465 299.4378 -98.8624 -63.4362 556018.4675 7.9898 8.1709 PRESSURE: 3503600 -183.057 56.6211 -48.6017 56.6202 16.2686 -86.558 -48.6015 -86.5585 -128.506 GPRESSURE: 3503600 -112.633 29.8275 0.602005 17.1819 21.0092 -32.9427 -26.5956 -129.323 -111.594 PRESSAVG: 3503600 -105.736 20.2691 21.0477 20.269 75.9426 -6.44068 21.0478 -6.44066 31.1905 GPRESSAVG: 3503600 -105.272 19.351 21.573 20.8112 75.9573 -5.41355 21.4015 -9.39195 30.5756 TIMING: 3503600 CPU: 10545.1, 0.00297776/step Wall: 10545.1, 0.00297776/step, 1.23776 hours remaining, 208.894531 MB of memory in use. ENERGY: 3503600 714.4954 2092.2016 1960.0963 125.2714 -205964.8241 17645.3776 0.0000 0.0000 34047.0839 -149380.2979 297.3417 -183427.3819 -149283.1794 298.6682 -98.4316 -67.7393 558365.4193 0.4657 0.4204 PRESSURE: 3503800 -207.291 -84.28 26.0998 -84.2789 23.6821 -66.4199 26.0994 -66.4192 -190.61 GPRESSURE: 3503800 -158.692 -67.4142 84.5469 -43.6439 20.4859 -94.8879 21.8871 -61.1058 -145.404 PRESSAVG: 3503800 -59.3558 34.4266 23.2925 34.4267 35.0261 -34.7552 23.2926 -34.7551 59.5923 GPRESSAVG: 3503800 -60.2824 33.2256 22.5067 35.4286 35.1568 -36.0702 25.0109 -31.9964 60.3092 TIMING: 3503800 CPU: 10545.7, 0.00295538/step Wall: 10545.7, 0.00295538/step, 1.22829 hours remaining, 208.894531 MB of memory in use. ENERGY: 3503800 722.5297 2081.3175 1941.0121 126.5133 -205971.4849 17626.7094 0.0000 0.0000 34268.7209 -149204.6820 299.2773 -183473.4028 -149108.8963 298.8253 -124.7397 -94.5368 558729.2470 11.7542 11.7279 PRESSURE: 3504000 -238.988 -134.234 -281.344 -134.235 2.21062 6.32678 -281.345 6.32975 -209.365 GPRESSURE: 3504000 -190.165 -251.498 -194.493 -34.1323 62.0693 1.87331 -259.087 78.8245 -214.19 PRESSAVG: 3504000 12.0447 28.5244 -42.8462 28.5245 -0.30546 -38.635 -42.8461 -38.6348 13.528 GPRESSAVG: 3504000 14.574 28.7193 -41.8099 28.0771 -1.38838 -36.2654 -42.9608 -39.6623 12.4358 TIMING: 3504000 CPU: 10546.3, 0.00304161/step Wall: 10546.3, 0.00304161/step, 1.26396 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: 3504000 746.5935 2056.8801 1942.5430 108.9476 -206402.0024 17865.5683 0.0000 0.0000 34364.7924 -149316.6775 300.1163 -183681.4700 -149222.4147 299.0979 -148.7139 -114.0953 559328.8491 8.4224 8.5405 PRESSURE: 3504200 -46.6325 -68.6555 41.2566 -68.6559 -183.516 -96.6958 41.2572 -96.6966 -156.028 GPRESSURE: 3504200 35.229 -76.5325 56.091 -137.791 -169.274 -67.3414 75.1814 -155.247 -159.393 PRESSAVG: 3504200 24.8039 31.9829 -7.41129 31.9829 35.8914 -9.03516 -7.41123 -9.03509 -30.5569 GPRESSAVG: 3504200 23.4608 34.2729 -8.54239 29.5272 36.4009 -7.87963 -6.25674 -9.95545 -29.8669 TIMING: 3504200 CPU: 10546.9, 0.00300223/step Wall: 10546.9, 0.00300223/step, 1.24743 hours remaining, 208.894531 MB of memory in use. ENERGY: 3504200 790.1955 2051.3857 1974.3379 118.3466 -206099.1153 17796.4456 0.0000 0.0000 34068.9992 -149299.4048 297.5330 -183368.4040 -149205.2669 298.9879 -128.7255 -97.8126 559637.6535 10.0462 9.9983 LDB: ============= START OF LOAD BALANCING ============== 10550.4 LDB: ============== END OF LOAD BALANCING =============== 10550.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10550.4 LDB: ============= START OF LOAD BALANCING ============== 10550.7 LDB: Largest compute 4802 load 0.028406 is 24.0% of average load 0.118181 LDB: Average compute 0.001717 is 1.5% of average load 0.118181 LDB: TIME 10550.7 LOAD: AVG 0.118181 MAX 0.209517 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.031 MB LDB: TIME 10550.7 LOAD: AVG 0.118181 MAX 0.209517 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.234 MB LDB: TIME 10550.7 LOAD: AVG 0.118181 MAX 0.209517 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.234 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10550.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10550.7 PRESSURE: 3504400 90.7779 49.1195 -62.9779 49.1197 -257.389 -68.7817 -62.9772 -68.7805 -74.4733 GPRESSURE: 3504400 143.914 76.3886 -71.6248 -29.1153 -293.593 -169.263 -20.7477 -81.6457 -0.7337 PRESSAVG: 3504400 14.0895 -40.7628 8.20297 -40.7628 24.0796 -16.7149 8.2029 -16.7149 -98.4883 GPRESSAVG: 3504400 15.5018 -41.7529 6.43488 -39.9956 24.4493 -18.3815 8.36001 -16.9167 -100.307 TIMING: 3504400 CPU: 10547.5, 0.00304168/step Wall: 10547.5, 0.00304168/step, 1.26365 hours remaining, 209.710938 MB of memory in use. ENERGY: 3504400 745.1154 2074.0039 1982.0497 110.4976 -206193.6806 17844.7268 0.0000 0.0000 34172.4039 -149264.8833 298.4361 -183437.2871 -149165.5436 299.1625 -80.3615 -50.1377 558439.0527 -20.1064 -20.1187 PRESSURE: 3504600 234.789 -57.1493 225.714 -57.149 253.988 11.6683 225.713 11.6679 45.4915 GPRESSURE: 3504600 316.639 -150.267 146.765 -85.714 233.136 -14.5998 242.432 62.0855 72.0236 PRESSAVG: 3504600 -24.5869 -15.3585 -12.1093 -15.3585 29.0581 42.272 -12.1092 42.272 -32.6829 GPRESSAVG: 3504600 -24.6898 -14.9817 -9.82808 -14.4449 28.8084 39.7919 -15.1885 44.996 -32.4653 TIMING: 3504600 CPU: 10548.1, 0.00298451/step Wall: 10548.1, 0.00298451/step, 1.23973 hours remaining, 209.777344 MB of memory in use. ENERGY: 3504600 715.4912 2031.0016 1948.9456 114.0739 -206775.2590 18160.6235 0.0000 0.0000 34355.0941 -149450.0293 300.0316 -183805.1233 -149358.3981 298.8223 178.0894 207.2660 557856.9947 -9.4039 -9.4489 PRESSURE: 3504800 137.317 -124.132 -81.6094 -124.133 25.5839 -73.5332 -81.609 -73.5336 -179.738 GPRESSURE: 3504800 119.842 -1.44017 -48.9861 -155.575 43.0627 -25.267 -148.797 -97.4086 -105.971 PRESSAVG: 3504800 95.44 -47.3547 -40.6562 -47.3547 -3.15283 7.13291 -40.6562 7.13289 -132.505 GPRESSAVG: 3504800 94.8972 -47.2794 -39.5611 -47.2192 -2.9171 8.96053 -40.6808 6.56895 -131.959 TIMING: 3504800 CPU: 10548.7, 0.00299667/step Wall: 10548.7, 0.00299667/step, 1.24462 hours remaining, 209.777344 MB of memory in use. ENERGY: 3504800 780.5431 2053.0412 1950.0683 109.2384 -206349.2061 17943.1596 0.0000 0.0000 34175.2058 -149337.9497 298.4606 -183513.1555 -149244.5266 298.8322 -5.6121 18.9781 558147.9985 -13.4060 -13.3264 PRESSURE: 3505000 226.512 28.6023 -13.0292 28.6015 -30.8506 -236.084 -13.0281 -236.083 -38.3003 GPRESSURE: 3505000 223.682 83.4704 1.79049 -9.51842 14.5578 -231.214 25.7771 -196.087 20.2391 PRESSAVG: 3505000 -8.18994 -34.8163 -6.79336 -34.8163 23.7206 -84.7366 -6.7934 -84.7367 -16.9799 GPRESSAVG: 3505000 -9.20536 -36.0194 -9.89344 -32.7886 24.5254 -84.5318 -3.78543 -85.3829 -16.3906 TIMING: 3505000 CPU: 10549.3, 0.00296996/step Wall: 10549.3, 0.00296996/step, 1.23336 hours remaining, 209.777344 MB of memory in use. ENERGY: 3505000 719.6579 2036.8169 1941.6542 115.7178 -206681.0019 17941.0528 0.0000 0.0000 34458.0894 -149468.0129 300.9311 -183926.1023 -149369.6640 298.7663 52.4539 86.1596 556483.3039 -0.4831 -0.3568 PRESSURE: 3505200 59.0957 64.5335 -109.776 64.532 -44.6359 -2.94805 -109.775 -2.95029 -54.2514 GPRESSURE: 3505200 126.705 52.6607 -97.2431 74.4169 -69.0357 12.719 -74.0884 -97.3304 2.20587 PRESSAVG: 3505200 -9.09732 -22.1711 -68.3226 -22.1711 -22.2059 -43.4162 -68.3225 -43.4163 47.4475 GPRESSAVG: 3505200 -8.03496 -22.4515 -68.7045 -22.7022 -23.0135 -43.8279 -69.9021 -42.7891 46.736 TIMING: 3505200 CPU: 10549.9, 0.00298392/step Wall: 10549.9, 0.00298392/step, 1.23899 hours remaining, 209.777344 MB of memory in use. ENERGY: 3505200 753.3574 2117.8129 1937.1581 102.9319 -206499.7685 17934.3164 0.0000 0.0000 34194.8911 -149459.3008 298.6325 -183654.1919 -149365.0246 298.7868 -13.2639 19.9583 557935.8658 5.3815 5.2292 PRESSURE: 3505400 48.5717 244.748 19.9949 244.747 73.57 -46.3762 19.9937 -46.3774 -195.559 GPRESSURE: 3505400 82.3209 121.549 86.0317 219.502 95.2333 -52.7471 -4.04796 -72.6351 -141.84 PRESSAVG: 3505400 72.2673 2.20925 26.4801 2.20927 12.8682 -79.7813 26.48 -79.7813 -47.7 GPRESSAVG: 3505400 73.0533 2.1031 27.4408 1.31937 12.5101 -79.8777 27.1168 -80.0022 -48.2109 TIMING: 3505400 CPU: 10550.5, 0.00296983/step Wall: 10550.5, 0.00296983/step, 1.23298 hours remaining, 209.777344 MB of memory in use. ENERGY: 3505400 693.8794 2126.2962 1923.1769 104.9576 -206432.8807 17771.5986 0.0000 0.0000 34447.5561 -149365.4159 300.8391 -183812.9720 -149268.5768 298.5366 -24.4725 11.9047 555397.4645 12.4785 12.4509 PRESSURE: 3505600 205.754 21.9002 247 21.8999 61.8469 -42.8369 247 -42.837 -178.048 GPRESSURE: 3505600 194.082 4.50392 225.162 1.25776 149.143 -8.84589 256.992 -130.276 -168.569 PRESSAVG: 3505600 26.9751 50.6616 90.9562 50.6616 37.5174 -31.6375 90.9563 -31.6374 -37.0622 GPRESSAVG: 3505600 25.7516 52.7628 92.5366 48.5595 37.8474 -30.5377 88.8461 -30.8591 -36.4245 TIMING: 3505600 CPU: 10551.1, 0.00298231/step Wall: 10551.1, 0.00298231/step, 1.23799 hours remaining, 209.777344 MB of memory in use. ENERGY: 3505600 769.9818 2114.3801 1918.4697 99.8451 -206519.1323 18013.3630 0.0000 0.0000 34372.1710 -149230.9214 300.1807 -183603.0924 -149135.0802 299.1686 29.8510 58.2188 555378.6294 9.1434 9.0582 PRESSURE: 3505800 -137.827 -117.029 1.28005 -117.029 -7.02243 13.0503 1.28148 13.0503 -133.987 GPRESSURE: 3505800 -122.456 -108.976 38.6794 -91.137 36.0966 -15.0219 41.8403 95.0268 -78.807 PRESSAVG: 3505800 42.5684 4.13479 32.0634 4.13477 35.7016 -15.952 32.0633 -15.952 -134.085 GPRESSAVG: 3505800 42.1579 3.69965 30.8618 5.57935 36.3285 -17.265 33.2552 -17.6058 -134.626 TIMING: 3505800 CPU: 10551.7, 0.00296769/step Wall: 10551.7, 0.00296769/step, 1.23176 hours remaining, 209.777344 MB of memory in use. ENERGY: 3505800 741.4121 2092.5542 1931.8165 102.2636 -206009.0312 17682.9377 0.0000 0.0000 34189.1002 -149268.9470 298.5819 -183458.0472 -149171.9304 299.5806 -92.9457 -55.0556 557238.1246 -18.6050 -18.7130 PRESSURE: 3506000 70.4602 10.9738 -62.5409 10.9733 28.3092 -98.0648 -62.5415 -98.0649 -138.02 GPRESSURE: 3506000 110.714 9.26611 -73.0174 23.8058 23.5132 -68.2289 -54.5147 -69.1975 -74.4225 PRESSAVG: 3506000 62.9238 20.1351 -20.0387 20.1352 27.2452 -20.0578 -20.0388 -20.0578 -72.3404 GPRESSAVG: 3506000 63.8098 18.2285 -17.6323 20.9906 27.8898 -20.4125 -19.7909 -18.9915 -73.5002 TIMING: 3506000 CPU: 10552.3, 0.00294438/step Wall: 10552.3, 0.00294438/step, 1.22192 hours remaining, 209.980469 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: 3506000 735.3883 2031.4578 1931.5808 110.7929 -206679.3480 17835.7726 0.0000 0.0000 34531.9874 -149502.3682 301.5764 -184034.3556 -149404.6434 299.4790 -13.0837 19.9349 555839.7868 5.9429 6.0665 PRESSURE: 3506200 -66.6044 -18.2389 76.8424 -18.2398 298.196 132.471 76.8428 132.471 24.8376 GPRESSURE: 3506200 -71.52 -23.6137 49.4651 -97.633 338.024 114.471 46.016 138.182 101.1 PRESSAVG: 3506200 19.4209 47.6735 -32.2924 47.6735 -1.80111 -28.404 -32.2924 -28.404 -48.0569 GPRESSAVG: 3506200 18.1117 49.354 -35.333 45.3572 -1.37725 -26.8641 -32.5462 -29.4696 -47.4582 TIMING: 3506200 CPU: 10552.9, 0.00297534/step Wall: 10552.9, 0.00297534/step, 1.2346 hours remaining, 209.980469 MB of memory in use. ENERGY: 3506200 746.8113 2148.5748 1960.9672 114.6410 -206454.3778 17999.3152 0.0000 0.0000 33984.4634 -149499.6048 296.7948 -183484.0682 -149406.6611 298.7340 85.4765 122.5347 556058.7566 -10.1457 -10.2412 PRESSURE: 3506400 -156.481 -70.3013 -5.46553 -70.3009 -244.355 46.3174 -5.46432 46.318 -228.73 GPRESSURE: 3506400 -120.715 44.9457 -15.867 -39.6147 -179.398 16.8205 38.0619 5.91097 -196.838 PRESSAVG: 3506400 5.91997 -12.0733 9.96845 -12.0733 23.8748 24.2806 9.96843 24.2807 -19.612 GPRESSAVG: 3506400 7.01075 -12.9653 11.4107 -11.0606 22.8066 23.4172 10.3313 24.5938 -18.7044 TIMING: 3506400 CPU: 10553.5, 0.00297819/step Wall: 10553.5, 0.00297819/step, 1.23562 hours remaining, 210.183594 MB of memory in use. ENERGY: 3506400 751.8290 2092.1534 1948.5201 106.9378 -205947.6594 17505.4210 0.0000 0.0000 34224.5905 -149318.2076 298.8919 -183542.7981 -149226.1945 299.0892 -209.8552 -165.6505 557415.8764 3.3943 3.7043 PRESSURE: 3506600 251.311 39.0187 -5.76936 39.0196 -30.1768 106.546 -5.76966 106.547 -88.8862 GPRESSURE: 3506600 266.273 53.9785 -49.9852 1.67924 -3.67479 124.75 19.3444 -27.2101 -25.4479 PRESSAVG: 3506600 15.6021 -31.3711 -29.5227 -31.3711 -9.02924 -40.235 -29.5227 -40.235 -0.214609 GPRESSAVG: 3506600 15.2531 -31.7197 -30.209 -31.0861 -8.68539 -39.7741 -29.1513 -39.939 -0.12922 TIMING: 3506600 CPU: 10554.1, 0.00297704/step Wall: 10554.1, 0.00297704/step, 1.23497 hours remaining, 210.183594 MB of memory in use. ENERGY: 3506600 773.6679 2033.8767 1959.0071 112.5053 -206240.1548 17951.2075 0.0000 0.0000 34130.6045 -149279.2859 298.0711 -183409.8904 -149178.5894 299.1812 44.0826 79.0501 557027.2359 2.1194 2.1462 PRESSURE: 3506800 -95.8639 -46.7591 -35.132 -46.759 -211.593 38.1165 -35.1321 38.116 -113.573 GPRESSURE: 3506800 -74.9585 -85.4264 -0.559095 -36.8085 -193.832 43.5496 -119.359 -8.85405 -59.4385 PRESSAVG: 3506800 8.83777 -57.8223 -49.4562 -57.8223 -20.986 37.4112 -49.4562 37.4113 7.85298 GPRESSAVG: 3506800 8.61862 -56.0569 -46.7077 -57.6258 -21.0064 39.3421 -50.2808 35.6678 8.34205 TIMING: 3506800 CPU: 10554.7, 0.00296386/step Wall: 10554.7, 0.00296386/step, 1.22934 hours remaining, 210.183594 MB of memory in use. ENERGY: 3506800 767.9620 2093.2812 1970.3542 103.1743 -205885.4122 17692.3735 0.0000 0.0000 34066.6555 -149191.6115 297.5126 -183258.2670 -149095.0529 299.4941 -140.3433 -109.4097 556982.7785 -1.4317 -1.3486 PRESSURE: 3507000 117.193 -126.387 99.0339 -126.386 90.8142 -24.3628 99.0333 -24.3635 179.631 GPRESSURE: 3507000 160.032 -174.817 82.7909 27.5252 133.115 -139.83 60.2194 -34.3014 192.038 PRESSAVG: 3507000 -34.0874 -40.9713 -65.5277 -40.9713 -8.41577 -7.13816 -65.5277 -7.13809 28.8942 GPRESSAVG: 3507000 -33.2204 -42.565 -67.5634 -41.2891 -8.59727 -9.95781 -66.5124 -4.43895 27.5907 TIMING: 3507000 CPU: 10555.3, 0.00296684/step Wall: 10555.3, 0.00296684/step, 1.23041 hours remaining, 210.183594 MB of memory in use. ENERGY: 3507000 728.5111 2077.6990 1918.3616 120.6996 -205936.9659 17720.7507 0.0000 0.0000 34209.4540 -149161.4898 298.7597 -183370.9438 -149060.7436 299.5408 129.2129 161.7284 557496.7159 -4.5363 -4.7423 PRESSURE: 3507200 194.006 83.901 70.1244 83.9007 -60.5454 56.7494 70.1248 56.7499 231.813 GPRESSURE: 3507200 177.858 59.3648 19.2748 85.4338 -26.1478 102.156 47.192 -29.6346 315.236 PRESSAVG: 3507200 21.5671 -23.5161 46.1815 -23.5161 -28.5981 -20.3526 46.1816 -20.3525 48.289 GPRESSAVG: 3507200 20.7266 -24.1572 44.8322 -21.2615 -28.2635 -18.2764 47.5551 -21.8757 49.1106 TIMING: 3507200 CPU: 10555.9, 0.00297799/step Wall: 10555.9, 0.00297799/step, 1.23487 hours remaining, 210.183594 MB of memory in use. ENERGY: 3507200 752.7591 2149.5746 1935.0259 107.5118 -206235.4552 17879.8975 0.0000 0.0000 34359.3536 -149051.3326 300.0688 -183410.6863 -148958.4998 299.6113 121.7577 155.6486 556542.6606 13.7527 13.8579 PRESSURE: 3507400 2.26725 -98.0349 97.9361 -98.0347 60.9454 13.3155 97.9367 13.316 179.752 GPRESSURE: 3507400 41.5088 -156.785 98.9148 -46.7902 85.3823 74.2349 62.4129 51.2165 205.864 PRESSAVG: 3507400 34.408 68.9487 19.0765 68.9487 -37.483 34.434 19.0765 34.4341 62.0429 GPRESSAVG: 3507400 34.641 69.6372 19.8911 68.2017 -37.4653 34.2964 20.6413 33.6643 61.5473 TIMING: 3507400 CPU: 10556.5, 0.0029904/step Wall: 10556.5, 0.0029904/step, 1.23985 hours remaining, 210.183594 MB of memory in use. ENERGY: 3507400 730.3826 2088.2381 1938.8780 116.1578 -206277.9906 17974.4372 0.0000 0.0000 34537.7589 -148892.1379 301.6268 -183429.8969 -148793.3223 300.5615 80.9881 110.9184 556818.4157 19.6560 19.5743 PRESSURE: 3507600 -69.383 229.592 90.4781 229.591 105.949 -88.7261 90.4765 -88.7272 -219.306 GPRESSURE: 3507600 -39.6673 181.828 60.3083 271.676 124.609 -139.008 106.862 -55.8329 -173.892 PRESSAVG: 3507600 -7.11957 -28.4356 22.4058 -28.4357 15.4253 38.7388 22.4057 38.7388 20.2549 GPRESSAVG: 3507600 -7.27727 -27.2945 22.7867 -29.0482 15.3559 36.045 21.9883 40.3978 20.3096 TIMING: 3507600 CPU: 10557.1, 0.00298539/step Wall: 10557.1, 0.00298539/step, 1.23761 hours remaining, 210.183594 MB of memory in use. ENERGY: 3507600 724.5900 2074.1344 1953.6803 102.3642 -205689.5453 17499.0158 0.0000 0.0000 34250.7956 -149084.9650 299.1207 -183335.7606 -148982.3926 299.7986 -60.9131 -29.6503 558462.8480 9.5202 9.4627 PRESSURE: 3507800 94.469 1.35795 42.5109 1.35726 -105.838 -54.2502 42.51 -54.2481 -17.5841 GPRESSURE: 3507800 109.534 -21.9858 62.4938 6.57886 -55.1639 -61.3534 33.9366 -46.003 12.6129 PRESSAVG: 3507800 -17.4081 51.7858 -42.5373 51.7857 30.6693 17.9326 -42.5373 17.9326 -14.0076 GPRESSAVG: 3507800 -18.1142 50.901 -42.1851 51.6786 31.368 21.3195 -44.9738 16.9541 -14.4465 TIMING: 3507800 CPU: 10557.6, 0.00295677/step Wall: 10557.6, 0.00295677/step, 1.22558 hours remaining, 210.183594 MB of memory in use. ENERGY: 3507800 714.9141 2105.5291 1937.0775 106.8508 -206281.9099 17810.4923 0.0000 0.0000 34300.1126 -149306.9336 299.5514 -183607.0462 -149210.3384 300.0850 -9.6510 22.3276 556916.7544 -0.2488 -0.3976 PRESSURE: 3508000 58.4804 -1.56529 -150.152 -1.56551 -4.32575 -78.0067 -150.152 -78.0072 141.114 GPRESSURE: 3508000 152.059 119.271 -230.524 -59.0785 -75.6021 -82.4491 -93.6984 -49.9284 211.046 PRESSAVG: 3508000 -2.13362 7.9669 -69.0181 7.96687 -64.5745 42.6162 -69.0181 42.6164 60.5293 GPRESSAVG: 3508000 -1.61423 7.28485 -69.3809 9.73972 -65.6105 42.2297 -65.7739 42.7184 61.6355 TIMING: 3508000 CPU: 10558.2, 0.0029761/step Wall: 10558.2, 0.0029761/step, 1.23343 hours remaining, 210.183594 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: 3508000 761.4923 2081.0114 1942.7322 116.8765 -206441.4522 18008.2899 0.0000 0.0000 34348.2933 -149182.7566 299.9722 -183531.0499 -149088.9367 299.9391 65.0897 95.8343 556068.1965 -2.0596 -1.8631 PRESSURE: 3508200 -129.577 -98.3502 -186.53 -98.3508 98.888 101.707 -186.531 101.709 86.8168 GPRESSURE: 3508200 -109.433 -152.88 -195.037 -86.8578 133.083 118.811 -241.718 73.1624 124.418 PRESSAVG: 3508200 -28.4474 14.1234 -97.7366 14.1234 -16.544 72.839 -97.7366 72.8391 1.6608 GPRESSAVG: 3508200 -27.4762 14.6487 -98.2831 13.6979 -15.9462 72.2602 -99.4409 72.7891 0.0979186 TIMING: 3508200 CPU: 10558.8, 0.00297016/step Wall: 10558.8, 0.00297016/step, 1.2308 hours remaining, 210.183594 MB of memory in use. ENERGY: 3508200 718.7592 2083.0330 1927.8201 113.3481 -205730.0382 17764.6279 0.0000 0.0000 34139.5313 -148982.9185 298.1490 -183122.4499 -148891.4668 299.7754 18.7092 49.3562 557865.0583 -14.4436 -14.4415 LDB: ============= START OF LOAD BALANCING ============== 10562.3 LDB: ============== END OF LOAD BALANCING =============== 10562.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10562.4 LDB: ============= START OF LOAD BALANCING ============== 10562.6 LDB: Largest compute 4802 load 0.028786 is 24.4% of average load 0.118174 LDB: Average compute 0.001717 is 1.5% of average load 0.118174 LDB: TIME 10562.7 LOAD: AVG 0.118174 MAX 0.206013 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.43 MB LDB: TIME 10562.7 LOAD: AVG 0.118174 MAX 0.206013 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: TIME 10562.7 LOAD: AVG 0.118174 MAX 0.206013 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10562.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10562.7 PRESSURE: 3508400 13.7153 54.4495 81.0122 54.4499 -139.889 -0.250005 81.0107 -0.250377 295.174 GPRESSURE: 3508400 71.7388 53.5583 142.28 58.811 -173.245 -39.3586 102.543 -19.8978 369.563 PRESSAVG: 3508400 34.4602 -0.669178 14.0901 -0.669099 -48.6613 12.2246 14.0902 12.2244 5.14748 GPRESSAVG: 3508400 32.7216 -1.27352 13.8117 -0.615429 -49.1246 13.8706 15.4283 13.3563 6.50521 TIMING: 3508400 CPU: 10559.4, 0.00303828/step Wall: 10559.4, 0.00303828/step, 1.25886 hours remaining, 210.031250 MB of memory in use. ENERGY: 3508400 774.1210 2021.2695 1975.2031 121.8935 -206195.9079 17960.1039 0.0000 0.0000 34111.8145 -149231.5024 297.9070 -183343.3169 -149131.2171 299.0594 56.3334 89.3522 556040.2645 -3.0179 -3.2993 PRESSURE: 3508600 405.249 -52.5819 -71.508 -52.5822 196.526 -150.458 -71.5093 -150.456 27.0421 GPRESSURE: 3508600 471.488 -57.8677 -105.543 -70.7508 170.83 -181.885 0.870387 -183.1 84.8796 PRESSAVG: 3508600 9.23107 59.1584 15.4399 59.1585 28.3552 -4.35991 15.4399 -4.35985 -26.615 GPRESSAVG: 3508600 10.5692 61.2729 15.8764 57.9261 26.699 -5.71261 13.1248 -5.29677 -26.5599 TIMING: 3508600 CPU: 10560, 0.00298191/step Wall: 10560, 0.00298191/step, 1.23534 hours remaining, 210.234375 MB of memory in use. ENERGY: 3508600 673.8343 2066.2823 1956.2399 110.2056 -206153.8427 18013.5039 0.0000 0.0000 34167.2740 -149166.5028 298.3913 -183333.7767 -149074.7784 299.1371 209.6058 242.3992 557594.9054 3.6571 3.5694 PRESSURE: 3508800 97.9172 151.875 -195.455 151.875 -132.804 247.734 -195.457 247.734 -96.7529 GPRESSURE: 3508800 91.8594 129.303 -144.747 35.9815 -79.2923 203.971 -202.272 235.835 -66.5222 PRESSAVG: 3508800 19.4932 13.2659 -13.9035 13.2659 59.7873 49.6252 -13.9035 49.6251 -25.1953 GPRESSAVG: 3508800 19.174 13.083 -13.7074 12.4495 61.8133 51.0897 -11.5668 48.0251 -27.1518 TIMING: 3508800 CPU: 10560.6, 0.00298735/step Wall: 10560.6, 0.00298735/step, 1.23743 hours remaining, 210.234375 MB of memory in use. ENERGY: 3508800 764.4186 2028.4926 1939.5572 108.7046 -206281.9071 17829.2227 0.0000 0.0000 34483.6079 -149127.9035 301.1539 -183611.5114 -149025.6823 299.0179 -43.8801 -17.9850 559312.7711 18.0284 17.9452 PRESSURE: 3509000 41.0343 81.6995 -55.7592 81.6995 399.068 -14.1802 -55.7589 -14.1803 118.773 GPRESSURE: 3509000 52.3658 33.9065 -94.0351 86.7835 446.002 12.4065 -50.2886 1.31891 154.841 PRESSAVG: 3509000 -36.6988 -1.67291 -28.7086 -1.67281 -1.40946 23.3295 -28.7086 23.3295 -3.46315 GPRESSAVG: 3509000 -37.0666 -0.670949 -27.0096 -1.48527 -1.81425 24.0415 -32.0359 23.3058 -2.74961 TIMING: 3509000 CPU: 10561.2, 0.00301509/step Wall: 10561.2, 0.00301509/step, 1.24875 hours remaining, 210.234375 MB of memory in use. ENERGY: 3509000 707.1037 2113.1818 1955.1275 125.9697 -206391.7186 18074.7487 0.0000 0.0000 34173.8096 -149241.7777 298.4484 -183415.5872 -149146.8320 298.8170 186.2918 217.7361 558160.7741 -13.8572 -13.8768 PRESSURE: 3509200 -66.485 44.7097 51.7075 44.7109 179.162 -33.4814 51.7073 -33.4829 13.5823 GPRESSURE: 3509200 -33.009 -38.2881 32.1567 113.302 209.969 -69.2371 -58.6171 3.13384 34.1499 PRESSAVG: 3509200 -43.5781 20.9695 -52.221 20.9694 27.5048 -46.7173 -52.2209 -46.7174 16.0488 GPRESSAVG: 3509200 -44.8913 19.8399 -53.3678 22.5208 27.5673 -46.9446 -52.2266 -45.1827 17.7139 TIMING: 3509200 CPU: 10561.8, 0.00302089/step Wall: 10561.8, 0.00302089/step, 1.25098 hours remaining, 210.234375 MB of memory in use. ENERGY: 3509200 738.0355 2053.2746 1969.5503 115.0512 -206377.5238 17931.8140 0.0000 0.0000 34285.1300 -149284.6682 299.4206 -183569.7982 -149183.8203 298.8471 42.0863 70.3699 557619.1426 -0.0082 0.1299 PRESSURE: 3509400 205.633 101.156 -168.002 101.156 -94.1245 -139.305 -168.003 -139.305 227.141 GPRESSURE: 3509400 273.795 164.972 -119.496 63.6018 -43.1623 -78.3945 -232.237 -77.7865 204.343 PRESSAVG: 3509400 -9.38726 1.58166 -1.49064 1.5817 -1.2314 -45.4829 -1.49059 -45.483 23.6966 GPRESSAVG: 3509400 -9.01946 0.233683 -0.682162 3.22239 -1.88837 -48.0862 -0.234793 -46.1036 23.3088 TIMING: 3509400 CPU: 10562.4, 0.00298489/step Wall: 10562.4, 0.00298489/step, 1.23591 hours remaining, 210.234375 MB of memory in use. ENERGY: 3509400 789.7179 2081.0068 1958.3745 115.3702 -206596.1240 18033.6990 0.0000 0.0000 34272.6817 -149345.2740 299.3119 -183617.9557 -149239.6379 298.9435 112.8830 144.9920 557360.2964 4.3593 4.1337 PRESSURE: 3509600 -47.3262 40.0565 -300.237 40.0564 55.6704 64.5195 -300.237 64.5189 -81.2639 GPRESSURE: 3509600 -68.9549 -93.6634 -259.965 89.0495 63.5231 124.688 -182.095 10.9034 30.158 PRESSAVG: 3509600 19.0648 -19.3813 -67.2647 -19.3812 33.6638 18.1436 -67.2647 18.1437 5.72314 GPRESSAVG: 3509600 19.1626 -18.9992 -67.3162 -20.1507 33.617 20.7244 -69.3316 16.3257 5.75934 TIMING: 3509600 CPU: 10563, 0.0029743/step Wall: 10563, 0.0029743/step, 1.23136 hours remaining, 210.234375 MB of memory in use. ENERGY: 3509600 742.8312 2098.9307 1961.3172 110.6133 -206478.9719 18020.3551 0.0000 0.0000 34243.9149 -149301.0096 299.0606 -183544.9244 -149207.7526 299.3721 -24.3066 8.2420 557691.5906 19.4839 19.5130 PRESSURE: 3509800 -215.803 -6.92643 124.97 -6.92606 -385.977 60.729 124.969 60.7285 -134.443 GPRESSURE: 3509800 -146.864 36.9979 47.6887 -46.9453 -345.002 39.6064 148.691 83.5867 -145.55 PRESSAVG: 3509800 -25.5878 10.2492 3.80957 10.2492 40.5795 2.48845 3.80961 2.48841 -18.2968 GPRESSAVG: 3509800 -26.8441 11.0718 2.01261 9.81862 41.4188 2.14087 6.21781 4.2431 -18.513 TIMING: 3509800 CPU: 10563.6, 0.00296259/step Wall: 10563.6, 0.00296259/step, 1.22635 hours remaining, 210.234375 MB of memory in use. ENERGY: 3509800 772.9639 2125.8789 1983.6949 100.5015 -206146.3214 17580.7156 0.0000 0.0000 34250.6268 -149331.9398 299.1192 -183582.5665 -149230.1110 299.2046 -245.4080 -212.4720 556922.7056 -1.1017 -1.3128 PRESSURE: 3510000 27.2247 -63.6039 -112.735 -63.6023 -352.904 -31.2877 -112.733 -31.2873 -153.541 GPRESSURE: 3510000 8.29542 -65.8971 -82.97 28.9594 -277.003 37.6776 -80.2777 -16.2732 -100.528 PRESSAVG: 3510000 26.0237 31.7957 -6.48641 31.7956 21.7258 41.1997 -6.48649 41.1996 -39.4674 GPRESSAVG: 3510000 26.5658 35.1112 -7.18706 30.106 21.7738 39.7296 -6.73331 42.2974 -40.6137 TIMING: 3510000 CPU: 10564.2, 0.00295487/step Wall: 10564.2, 0.00295487/step, 1.22299 hours remaining, 210.234375 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: 3510000 772.0937 2072.9782 1941.0040 122.5058 -206119.0861 17752.4662 0.0000 0.0000 34273.0830 -149184.9552 299.3154 -183458.0382 -149086.8551 299.2289 -159.7403 -123.0786 557984.0720 2.7607 2.5753 PRESSURE: 3510200 140.404 -11.6499 67.4954 -11.6497 -165.182 61.7509 67.4963 61.7497 -179.654 GPRESSURE: 3510200 210.147 26.1359 22.3646 -68.5699 -236.213 81.1803 105.732 89.5606 -75.2423 PRESSAVG: 3510200 23.4062 42.4586 -4.81881 42.4586 75.9004 -8.09504 -4.81883 -8.09501 -120.461 GPRESSAVG: 3510200 23.3515 40.2182 -2.90428 42.2547 75.6857 -7.073 -7.17764 -9.51675 -120.444 TIMING: 3510200 CPU: 10564.8, 0.00297349/step Wall: 10564.8, 0.00297349/step, 1.23053 hours remaining, 210.234375 MB of memory in use. ENERGY: 3510200 740.5557 2052.4248 1964.5777 124.1359 -206235.4988 17744.7045 0.0000 0.0000 34414.1163 -149194.9840 300.5470 -183609.1003 -149094.5592 299.1208 -68.1440 -33.7695 557134.6351 -7.0515 -7.1356 PRESSURE: 3510400 235.631 128.276 8.85975 128.277 119.329 -104.171 8.85967 -104.173 10.2509 GPRESSURE: 3510400 238.646 92.2556 -8.20459 117.81 207.53 -60.8867 38.9141 13.5146 25.6839 PRESSAVG: 3510400 38.9726 37.4181 72.4137 37.4182 7.51198 -34.968 72.4137 -34.9678 -19.8262 GPRESSAVG: 3510400 40.6431 37.2035 71.641 40.4148 5.98039 -35.6918 73.5532 -33.1683 -19.8992 TIMING: 3510400 CPU: 10565.4, 0.00295844/step Wall: 10565.4, 0.00295844/step, 1.22414 hours remaining, 210.234375 MB of memory in use. ENERGY: 3510400 760.9165 2054.9856 1941.6865 115.6853 -206905.3165 18277.0171 0.0000 0.0000 34383.8241 -149371.2014 300.2825 -183755.0255 -149277.0800 298.9336 121.7368 157.2867 557832.9631 8.8861 8.9081 PRESSURE: 3510600 -224.921 -52.0512 37.6916 -52.0514 5.01497 -112.858 37.6913 -112.858 12.5756 GPRESSURE: 3510600 -188.066 -79.9971 66.8669 -72.4065 102.713 -9.47635 44.3679 -97.1013 -26.533 PRESSAVG: 3510600 50.9353 -18.3307 -0.845566 -18.3307 -10.8474 -36.4326 -0.845525 -36.4326 -13.978 GPRESSAVG: 3510600 50.1665 -19.8456 -0.571758 -20.4784 -8.93594 -34.2251 -0.215823 -38.1829 -15.1785 TIMING: 3510600 CPU: 10566, 0.00298326/step Wall: 10566, 0.00298326/step, 1.23424 hours remaining, 210.234375 MB of memory in use. ENERGY: 3510600 723.3746 2091.3927 1933.3426 111.5692 -206622.8168 17941.8044 0.0000 0.0000 34125.6600 -149695.6734 298.0279 -183821.3334 -149600.5220 298.4060 -69.1103 -37.2950 559478.8855 8.7033 8.6840 PRESSURE: 3510800 10.4292 -215.814 -233.401 -215.814 -94.9978 122.391 -233.402 122.391 80.3862 GPRESSURE: 3510800 20.4719 -162.038 -150.465 -252.573 -34.2108 142.324 -243.293 57.4936 98.0344 PRESSAVG: 3510800 -15.6555 -5.24964 -43.0804 -5.24965 -38.3791 -20.5378 -43.0805 -20.5379 57.5919 GPRESSAVG: 3510800 -16.073 -3.69377 -43.0934 -5.28598 -38.6631 -19.8128 -44.0368 -21.5133 58.6611 TIMING: 3510800 CPU: 10566.6, 0.00297828/step Wall: 10566.6, 0.00297828/step, 1.23201 hours remaining, 210.234375 MB of memory in use. ENERGY: 3510800 757.4072 2041.5910 1956.3990 108.9887 -206744.9433 17979.7785 0.0000 0.0000 34247.9793 -149652.7997 299.0961 -183900.7790 -149559.5857 298.0096 -1.3941 28.0985 557478.1061 1.1858 1.3083 PRESSURE: 3511000 192.818 -21.6574 -38.5863 -21.6574 209.533 -168.952 -38.5873 -168.954 -69.6131 GPRESSURE: 3511000 236.002 2.70957 17.2325 -96.6462 283.348 -172.685 -45.5245 -133.769 -86.6889 PRESSAVG: 3511000 -4.03412 -61.4913 -9.31622 -61.4912 -10.6979 -9.05398 -9.31615 -9.05384 33.2785 GPRESSAVG: 3511000 -5.5568 -61.5185 -10.1948 -61.1804 -10.873 -11.825 -9.68256 -6.48778 34.8294 TIMING: 3511000 CPU: 10567.2, 0.00297146/step Wall: 10567.2, 0.00297146/step, 1.22903 hours remaining, 210.234375 MB of memory in use. ENERGY: 3511000 737.9117 2069.1637 1964.6151 103.2726 -206534.7039 18013.8384 0.0000 0.0000 34053.8007 -149592.1018 297.4003 -183645.9024 -149503.1961 298.3047 110.9128 144.2203 556761.6899 6.1822 6.1332 PRESSURE: 3511200 -56.2797 -10.7499 49.3428 -10.7493 -160.658 86.8954 49.3423 86.8963 98.1722 GPRESSURE: 3511200 -39.0076 16.0179 43.2909 -47.4291 -159.018 181.696 96.9772 0.640956 173.684 PRESSAVG: 3511200 38.5513 48.8608 -0.156585 48.8607 -63.715 -23.0142 -0.156611 -23.0141 1.09782 GPRESSAVG: 3511200 39.7557 48.7937 -0.129151 50.2743 -63.3776 -23.9322 -0.0421001 -22.7195 0.0592966 TIMING: 3511200 CPU: 10567.8, 0.00295926/step Wall: 10567.8, 0.00295926/step, 1.22382 hours remaining, 210.234375 MB of memory in use. ENERGY: 3511200 777.3493 2109.1693 1932.6004 124.8633 -206586.0875 17697.0692 0.0000 0.0000 34273.1432 -149671.8927 299.3159 -183945.0359 -149569.1294 298.4581 -39.5885 -8.1139 554985.5553 -8.0220 -7.8542 PRESSURE: 3511400 73.2023 200.472 155.062 200.473 -67.3647 170.09 155.063 170.089 -135.013 GPRESSURE: 3511400 134.79 117.278 168.379 191.431 -36.9251 114.935 215.547 128.639 -112.532 PRESSAVG: 3511400 -101.415 23.8889 26.7217 23.8889 23.3237 0.964314 26.7217 0.964308 105.959 GPRESSAVG: 3511400 -100.752 23.1645 26.5231 23.6804 23.0505 1.323 28.2798 0.20471 105.419 TIMING: 3511400 CPU: 10568.4, 0.00295923/step Wall: 10568.4, 0.00295923/step, 1.22364 hours remaining, 210.234375 MB of memory in use. ENERGY: 3511400 733.7348 2120.5075 1965.3907 111.1123 -206609.9324 17896.6591 0.0000 0.0000 34254.7718 -149527.7562 299.1554 -183782.5280 -149427.7665 298.0912 -43.0586 -4.8889 556683.2094 9.2891 9.2394 PRESSURE: 3511600 309.885 190.701 53.2728 190.702 -79.7953 21.9487 53.2721 21.9486 127.104 GPRESSURE: 3511600 334.966 168.546 -55.4669 288.094 -15.4698 -77.9979 140.799 59.8861 117.327 PRESSAVG: 3511600 26.7706 47.1529 17.2889 47.153 -28.5697 23.0723 17.2889 23.0724 58.3665 GPRESSAVG: 3511600 24.8603 48.9498 16.5419 47.9029 -27.5074 22.4071 16.6561 25.0714 58.7042 TIMING: 3511600 CPU: 10569, 0.00299056/step Wall: 10569, 0.00299056/step, 1.23643 hours remaining, 210.234375 MB of memory in use. ENERGY: 3511600 740.5441 2080.5427 1964.7095 112.0174 -206763.5059 18008.9837 0.0000 0.0000 34364.4462 -149492.2623 300.1133 -183856.7086 -149395.0714 299.0012 119.0646 145.6078 556296.7345 18.8558 18.6857 PRESSURE: 3511800 -126.055 83.7067 -55.7878 83.7073 -48.4251 145.573 -55.7875 145.573 -65.4254 GPRESSURE: 3511800 -86.8778 152.472 -71.3768 74.4599 -5.7247 87.3378 -16.2384 240.779 -54.8252 PRESSAVG: 3511800 1.58965 60.5189 24.8932 60.5189 -13.4534 17.7113 24.8932 17.7114 -16.3904 GPRESSAVG: 3511800 2.25619 58.7198 24.6644 60.1052 -14.0595 16.3532 25.567 15.7982 -16.728 TIMING: 3511800 CPU: 10569.6, 0.00298405/step Wall: 10569.6, 0.00298405/step, 1.23357 hours remaining, 210.234375 MB of memory in use. ENERGY: 3511800 765.5397 2063.8897 1938.3532 114.2524 -206552.8613 17894.8443 0.0000 0.0000 34204.8423 -149571.1397 298.7194 -183775.9820 -149468.6604 298.7872 -79.9686 -49.1426 557942.8863 -9.4180 -9.5104 PRESSURE: 3512000 -155.96 14.7665 -105.599 14.767 -0.831499 -36.8572 -105.6 -36.8564 -105.27 GPRESSURE: 3512000 -106.85 45.2376 -62.8035 -36.3239 13.1334 -33.3399 -168.195 48.4121 -60.5667 PRESSAVG: 3512000 42.94 -8.84502 -17.1302 -8.84502 -51.6951 9.90926 -17.13 9.90934 7.6656 GPRESSAVG: 3512000 42.2705 -6.68466 -15.218 -10.2528 -51.8684 10.4178 -17.1555 9.25121 8.78183 TIMING: 3512000 CPU: 10570.2, 0.003007/step Wall: 10570.2, 0.003007/step, 1.24289 hours remaining, 210.234375 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: 3512000 753.5409 2054.4403 1969.7268 120.6237 -206404.0249 17803.3705 0.0000 0.0000 34240.3978 -149461.9249 299.0299 -183702.3226 -149365.1828 298.9575 -87.3540 -51.4278 558221.9136 -0.3632 -0.2720 PRESSURE: 3512200 -52.8542 86.611 -40.6085 86.611 -21.3469 117.29 -40.6087 117.29 206.732 GPRESSURE: 3512200 -47.8978 151.853 -84.3584 72.9971 45.1215 65.759 9.08018 163.611 229.591 PRESSAVG: 3512200 -6.91736 8.70278 -6.26321 8.70281 -30.4016 11.0488 -6.26315 11.0487 17.6071 GPRESSAVG: 3512200 -6.69023 6.64834 -5.55942 11.5904 -28.6535 13.0856 -6.71663 10.2075 16.2262 TIMING: 3512200 CPU: 10570.8, 0.00299427/step Wall: 10570.8, 0.00299427/step, 1.23747 hours remaining, 210.234375 MB of memory in use. ENERGY: 3512200 755.0501 2061.8517 1944.2857 106.4770 -206569.3433 18004.1985 0.0000 0.0000 34353.8555 -149343.6248 300.0208 -183697.4803 -149247.1582 299.4742 44.1770 75.6050 557102.2188 -6.5706 -6.3725 LDB: ============= START OF LOAD BALANCING ============== 10574.3 LDB: ============== END OF LOAD BALANCING =============== 10574.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10574.3 LDB: ============= START OF LOAD BALANCING ============== 10574.6 LDB: Largest compute 4802 load 0.027448 is 23.2% of average load 0.118172 LDB: Average compute 0.001711 is 1.4% of average load 0.118172 LDB: TIME 10574.6 LOAD: AVG 0.118172 MAX 0.205156 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.43 MB LDB: TIME 10574.6 LOAD: AVG 0.118172 MAX 0.205156 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.434 MB LDB: TIME 10574.6 LOAD: AVG 0.118172 MAX 0.205156 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.434 MB LDB: ============== END OF LOAD BALANCING =============== 10574.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10574.6 PRESSURE: 3512400 225.935 70.2608 -188.778 70.2601 48.7162 14.1158 -188.778 14.1162 170.507 GPRESSURE: 3512400 248.401 28.6559 -130.892 69.047 44.5534 -72.1312 -184.82 37.9773 258.678 PRESSAVG: 3512400 2.42626 8.58433 -20.4917 8.58429 -11.36 25.1703 -20.4918 25.1703 20.2451 GPRESSAVG: 3512400 2.38225 7.37638 -20.463 8.44974 -11.0809 24.7216 -20.7204 25.7477 19.6698 TIMING: 3512400 CPU: 10571.4, 0.00306659/step Wall: 10571.4, 0.00306659/step, 1.26718 hours remaining, 209.453125 MB of memory in use. ENERGY: 3512400 750.0277 2079.8334 1931.0696 108.6427 -206505.1436 17982.3060 0.0000 0.0000 34386.3748 -149266.8895 300.3048 -183653.2643 -149179.8278 299.4419 148.3861 183.8774 555847.6148 3.7705 3.6571 PRESSURE: 3512600 -163.976 90.7732 166.151 90.7716 -157.874 148.931 166.152 148.931 4.26873 GPRESSURE: 3512600 -147.588 44.6851 118.848 65.4479 -111.982 231.136 181.271 146.643 33.249 PRESSAVG: 3512600 -18.8984 49.0012 30.239 49.0012 -62.9248 14.9795 30.239 14.9796 41.5404 GPRESSAVG: 3512600 -19.7067 50.5129 30.4153 47.0811 -64.6754 12.8506 30.2362 16.3151 43.7803 TIMING: 3512600 CPU: 10572, 0.00302611/step Wall: 10572, 0.00302611/step, 1.25029 hours remaining, 209.656250 MB of memory in use. ENERGY: 3512600 754.5601 2127.3580 1922.8892 115.6034 -205753.4535 17445.6622 0.0000 0.0000 34037.5912 -149349.7895 297.2587 -183387.3807 -149252.4509 299.3800 -105.8605 -75.4404 557843.2227 -13.4276 -13.5339 PRESSURE: 3512800 -84.1578 92.333 -133.374 92.333 -310.594 -13.1563 -133.373 -13.1591 70.9673 GPRESSURE: 3512800 -52.3159 101.86 -159.394 110.677 -292.252 -7.27224 -89.6171 59.4158 119.476 PRESSAVG: 3512800 -14.3142 -0.627141 7.47552 -0.627074 -55.7333 -8.10671 7.4755 -8.10661 29.8253 GPRESSAVG: 3512800 -14.3703 0.116401 7.21234 -0.92322 -53.9043 -7.60593 8.06761 -7.82665 28.8253 TIMING: 3512800 CPU: 10572.6, 0.00301513/step Wall: 10572.6, 0.00301513/step, 1.24558 hours remaining, 209.656250 MB of memory in use. ENERGY: 3512800 756.1172 2123.3200 1926.0272 119.1203 -206418.0484 17707.5538 0.0000 0.0000 34226.1512 -149559.7586 298.9055 -183785.9098 -149463.9642 299.0701 -107.9280 -75.0305 556657.4547 -13.4074 -13.1498 PRESSURE: 3513000 -211.467 -77.8645 177.608 -77.8632 -32.5911 -187.986 177.607 -187.987 -167.49 GPRESSURE: 3513000 -216.345 -23.6686 155.352 -22.1264 33.0623 -185.48 206.26 -193.51 -124.394 PRESSAVG: 3513000 18.9534 24.7287 11.5727 24.7288 60.666 -36.9469 11.5727 -36.9469 11.0492 GPRESSAVG: 3513000 19.6191 23.5619 11.1726 26.6971 60.597 -36.4412 10.2623 -38.4684 10.8634 TIMING: 3513000 CPU: 10573.2, 0.00301333/step Wall: 10573.2, 0.00301333/step, 1.24467 hours remaining, 209.656250 MB of memory in use. ENERGY: 3513000 761.4530 2152.4591 1931.3912 106.2045 -206427.6418 17798.3730 0.0000 0.0000 34079.7600 -149598.0010 297.6270 -183677.7610 -149498.9250 298.3875 -137.1828 -102.5589 557882.0582 30.2228 30.3599 PRESSURE: 3513200 79.9445 -88.6582 -22.0131 -88.6575 42.7519 -132.052 -22.0117 -132.053 392.672 GPRESSURE: 3513200 143.611 27.5543 -18.3365 -162.658 73.9957 -247.587 20.7745 -25.1177 392.134 PRESSAVG: 3513200 21.6577 6.36364 32.2966 6.36364 18.9379 -35.8011 32.2966 -35.8011 -42.7702 GPRESSAVG: 3513200 21.7923 5.77534 33.0206 7.55102 18.4953 -35.0487 32.9453 -34.7658 -42.1957 TIMING: 3513200 CPU: 10573.8, 0.00299693/step Wall: 10573.8, 0.00299693/step, 1.23773 hours remaining, 209.656250 MB of memory in use. ENERGY: 3513200 726.1763 2137.2434 1945.0365 114.1466 -206824.4768 18182.1185 0.0000 0.0000 34203.8986 -149515.8568 298.7112 -183719.7555 -149417.8762 297.8356 171.7896 203.2469 557511.7044 -0.7249 -0.6361 PRESSURE: 3513400 62.5799 57.4332 43.2928 57.4317 -266.168 -84.771 43.2929 -84.7721 -242.872 GPRESSURE: 3513400 92.4724 -38.3484 64.9808 78.3214 -250.904 -57.1905 41.0173 -67.1197 -190.491 PRESSAVG: 3513400 6.87949 -23.9129 1.38886 -23.9129 -9.24109 2.00649 1.38887 2.00644 -13.153 GPRESSAVG: 3513400 6.8136 -23.7448 0.96817 -25.8315 -9.04741 3.06626 -1.48985 2.13313 -13.2942 TIMING: 3513400 CPU: 10574.4, 0.00299295/step Wall: 10574.4, 0.00299295/step, 1.23592 hours remaining, 209.859375 MB of memory in use. ENERGY: 3513400 789.2137 2156.0583 1939.8510 121.9798 -206004.7521 17613.9070 0.0000 0.0000 33993.1706 -149390.5718 296.8708 -183383.7424 -149293.6427 298.3930 -148.8199 -116.3076 558388.2914 -5.1715 -5.1760 PRESSURE: 3513600 83.045 -128.477 43.8871 -128.477 -6.42169 25.6108 43.8852 25.6108 -44.2173 GPRESSURE: 3513600 91.0633 -120.718 106.78 -123.574 24.1092 55.7294 -67.2615 -34.581 8.56008 PRESSAVG: 3513600 -12.8649 -37.9368 -23.6778 -37.9368 24.2617 13.1466 -23.6777 13.1465 -9.53887 GPRESSAVG: 3513600 -12.4393 -37.9764 -24.0616 -38.6976 24.0078 13.5446 -20.5062 11.6843 -9.20017 TIMING: 3513600 CPU: 10575, 0.00298169/step Wall: 10575, 0.00298169/step, 1.23111 hours remaining, 209.859375 MB of memory in use. ENERGY: 3513600 760.5612 2095.7936 1926.1058 123.5862 -206264.7898 17835.0745 0.0000 0.0000 34197.7437 -149325.9248 298.6574 -183523.6685 -149223.9942 298.8304 10.8020 41.2442 556869.7313 0.6193 0.7894 PRESSURE: 3513800 -151.539 -126.62 173.04 -126.62 -250.156 -22.7975 173.039 -22.7972 -207.264 GPRESSURE: 3513800 -156.32 -165.374 209.609 -18.1429 -219.216 -83.4217 210.289 34.5849 -138.232 PRESSAVG: 3513800 3.37336 -20.2204 43.0071 -20.2204 -9.33121 31.1741 43.0071 31.174 15.453 GPRESSAVG: 3513800 3.02673 -19.2844 43.1435 -20.4595 -8.83937 28.5633 44.0542 34.9463 15.5443 TIMING: 3513800 CPU: 10575.6, 0.0029848/step Wall: 10575.6, 0.0029848/step, 1.23223 hours remaining, 209.859375 MB of memory in use. ENERGY: 3513800 750.1666 2082.5671 1938.6593 110.5821 -206577.0792 17854.9228 0.0000 0.0000 34304.7490 -149535.4324 299.5919 -183840.1814 -149433.7386 299.2311 -202.9860 -171.2561 557628.5629 3.1651 3.2439 PRESSURE: 3514000 -123.919 -82.419 6.90013 -82.4204 65.2428 75.7245 6.89822 75.7252 -133.434 GPRESSURE: 3514000 -70.3484 73.3396 65.6785 -188.242 102.301 40.2536 -57.5321 14.0061 -113.741 PRESSAVG: 3514000 -26.074 -23.4873 -18.849 -23.4874 -10.1972 38.231 -18.8488 38.2309 15.7784 GPRESSAVG: 3514000 -26.6355 -20.8453 -19.249 -24.8485 -9.69402 41.5585 -20.7637 35.7772 15.9179 TIMING: 3514000 CPU: 10576.2, 0.00300357/step Wall: 10576.2, 0.00300357/step, 1.23981 hours remaining, 209.859375 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: 3514000 728.8089 2082.7121 1949.2978 118.6283 -206294.0284 17717.9928 0.0000 0.0000 34208.1831 -149488.4055 298.7486 -183696.5886 -149399.3044 299.1052 -64.0368 -27.2630 555832.3553 -6.8309 -6.8039 PRESSURE: 3514200 -20.8957 -123.673 34.7386 -123.674 17.2201 116.529 34.7383 116.528 -24.2783 GPRESSURE: 3514200 29.3214 -99.1088 67.5748 -145.253 1.0648 30.6636 -37.2257 112.932 37.9006 PRESSAVG: 3514200 48.5286 -20.0442 -14.8254 -20.0443 -6.01439 16.2331 -14.8254 16.2332 -1.16945 GPRESSAVG: 3514200 48.0735 -21.9485 -14.697 -18.9206 -5.99098 13.2873 -14.1187 16.541 -0.570386 TIMING: 3514200 CPU: 10576.8, 0.00297873/step Wall: 10576.8, 0.00297873/step, 1.22939 hours remaining, 209.859375 MB of memory in use. ENERGY: 3514200 751.6420 2120.7502 1963.6363 121.7769 -206649.9198 18005.0463 0.0000 0.0000 33976.7116 -149710.3565 296.7271 -183687.0681 -149618.3743 299.2453 -9.3180 22.7622 557397.3920 13.7816 13.8374 PRESSURE: 3514400 -13.2022 124.696 114.152 124.696 -75.0241 -9.88425 114.152 -9.88351 325.866 GPRESSURE: 3514400 15.6601 35.8912 68.935 179.082 -8.81906 -2.36749 155.326 86.9629 331.225 PRESSAVG: 3514400 -5.6386 2.49707 -0.913646 2.49705 16.3083 31.4701 -0.913627 31.4701 -2.0923 GPRESSAVG: 3514400 -5.32088 2.68636 -0.716161 2.47971 16.0512 30.0282 -0.711485 31.9461 -2.03666 TIMING: 3514400 CPU: 10577.4, 0.00298119/step Wall: 10577.4, 0.00298119/step, 1.23024 hours remaining, 209.859375 MB of memory in use. ENERGY: 3514400 733.0079 2122.8995 1934.6952 116.5806 -206850.5807 18017.8861 0.0000 0.0000 34092.8278 -149832.6837 297.7411 -183925.5115 -149728.3844 298.2042 79.2134 112.6886 557141.1935 2.8591 2.8979 PRESSURE: 3514600 -132.807 -128.097 -9.17463 -128.097 -76.4733 178.569 -9.1735 178.569 20.5524 GPRESSURE: 3514600 -103.87 -40.9238 2.35408 -140.411 -67.2443 185.246 -24.6995 152.997 75.4983 PRESSAVG: 3514600 55.8484 2.3279 64.0572 2.32793 -28.2025 44.8417 64.0573 44.8417 -10.699 GPRESSAVG: 3514600 56.8842 2.30638 64.6418 3.0827 -29.2095 47.3576 63.9209 42.9192 -10.6526 TIMING: 3514600 CPU: 10578, 0.00296169/step Wall: 10578, 0.00296169/step, 1.22203 hours remaining, 209.859375 MB of memory in use. ENERGY: 3514600 797.2882 2109.1081 1929.3414 111.9005 -206835.7609 17929.4221 0.0000 0.0000 34079.0736 -149879.6269 297.6210 -183958.7005 -149793.7635 298.1372 -62.9094 -31.8721 556528.7709 5.6490 5.6740 PRESSURE: 3514800 16.9584 -67.8822 75.7266 -67.8838 -208.685 209.751 75.7279 209.751 -40.6407 GPRESSURE: 3514800 -17.4652 -3.98796 4.70797 -110.787 -110.38 127.328 36.0907 249.664 -23.7297 PRESSAVG: 3514800 -59.1287 -57.183 48.9336 -57.183 -6.68427 37.719 48.9336 37.7191 40.712 GPRESSAVG: 3514800 -58.7474 -57.1358 49.356 -59.243 -6.2546 36.337 48.0963 39.7182 39.8833 TIMING: 3514800 CPU: 10578.6, 0.00296027/step Wall: 10578.6, 0.00296027/step, 1.22127 hours remaining, 209.859375 MB of memory in use. ENERGY: 3514800 775.1509 2082.8479 1957.3982 108.7034 -206576.4228 17731.6890 0.0000 0.0000 34051.3182 -149869.3152 297.3786 -183920.6334 -149780.0483 298.3002 -77.4559 -50.5250 555960.3160 -8.3670 -8.3729 PRESSURE: 3515000 22.4824 53.8943 60.8843 53.8936 -39.4616 20.2748 60.8851 20.2759 53.6094 GPRESSURE: 3515000 -12.5942 27.1138 48.5844 22.0737 57.7205 -18.8326 77.1115 45.9778 86.8174 PRESSAVG: 3515000 -77.6036 -12.9618 -45.3262 -12.9619 76.773 18.1242 -45.3262 18.1243 38.0754 GPRESSAVG: 3515000 -78.2663 -13.6944 -45.3616 -12.0851 77.3514 16.3698 -45.592 17.5079 38.262 TIMING: 3515000 CPU: 10579.2, 0.00295131/step Wall: 10579.2, 0.00295131/step, 1.21741 hours remaining, 209.859375 MB of memory in use. ENERGY: 3515000 728.9094 2066.1074 1955.9532 119.9325 -206842.7642 17899.8696 0.0000 0.0000 34188.9090 -149883.0831 298.5802 -184071.9921 -149788.5575 297.8566 12.2101 43.9813 555857.9492 12.4149 12.4490 PRESSURE: 3515200 -223.595 171.795 19.5934 171.795 97.3991 -99.3312 19.5933 -99.3314 -57.6823 GPRESSURE: 3515200 -198.07 213.601 119.671 192.018 125.284 -23.1376 -41.2621 -29.3871 -22.0074 PRESSAVG: 3515200 -63.9214 62.7594 -4.19655 62.7594 1.74612 -6.83081 -4.19664 -6.83073 26.4656 GPRESSAVG: 3515200 -63.1643 63.691 -4.74853 64.3854 0.828327 -4.00135 -3.27806 -7.32355 26.3886 TIMING: 3515200 CPU: 10579.7, 0.0029599/step Wall: 10579.7, 0.0029599/step, 1.22079 hours remaining, 209.859375 MB of memory in use. ENERGY: 3515200 703.3013 2098.0292 1967.9961 104.3595 -206378.3362 17656.4163 0.0000 0.0000 34043.2024 -149805.0313 297.3078 -183848.2337 -149711.1664 298.4183 -61.2928 -31.5979 556976.4885 -11.9032 -11.9824 PRESSURE: 3515400 -4.1754 11.4707 94.6204 11.4704 -203.515 -23.7528 94.6211 -23.7526 5.55876 GPRESSURE: 3515400 41.0295 -35.2004 60.746 16.8542 -156.035 15.2223 113.845 0.0950699 -2.55108 PRESSAVG: 3515400 -34.98 -10.339 34.6683 -10.3391 -8.53607 -17.333 34.6682 -17.3329 54.4016 GPRESSAVG: 3515400 -35.1015 -9.9294 32.3551 -10.0585 -8.51896 -19.0693 35.3049 -15.9749 54.5402 TIMING: 3515400 CPU: 10580.3, 0.00297929/step Wall: 10580.3, 0.00297929/step, 1.22863 hours remaining, 209.859375 MB of memory in use. ENERGY: 3515400 732.6154 2122.9150 1975.8743 107.8354 -206450.0704 17853.5096 0.0000 0.0000 33744.7776 -149912.5431 294.7015 -183657.3207 -149822.2499 297.8566 -67.3773 -39.1854 558884.5932 3.6285 3.6399 PRESSURE: 3515600 -28.1693 -95.8482 -80.9433 -95.8488 -75.0386 101.453 -80.9451 101.455 -8.77778 GPRESSURE: 3515600 6.64009 -78.916 -103.082 -87.0727 -52.5448 76.3442 -137.896 136.178 34.457 PRESSAVG: 3515600 -62.1677 -9.4999 8.34024 -9.49985 36.3251 47.8237 8.34021 47.8238 23.5065 GPRESSAVG: 3515600 -62.7937 -11.4669 9.30546 -8.50632 36.8691 49.9844 8.46658 44.9757 23.6705 TIMING: 3515600 CPU: 10580.9, 0.00296121/step Wall: 10580.9, 0.00296121/step, 1.221 hours remaining, 209.859375 MB of memory in use. ENERGY: 3515600 768.3576 2097.2542 1932.8581 112.8708 -206759.7194 17999.9354 0.0000 0.0000 34146.1174 -149702.3259 298.2065 -183848.4433 -149604.6827 297.3365 -37.3286 -3.8159 556488.6516 -0.7787 -0.7514 PRESSURE: 3515800 109.795 17.3527 274.779 17.3534 -28.1692 -28.1093 274.78 -28.1097 296.839 GPRESSURE: 3515800 124.486 62.9202 304.388 77.3503 53.3518 -58.0929 194.875 28.1903 300.44 PRESSAVG: 3515800 -1.21259 16.6622 -9.16725 16.6623 -20.1428 27.1197 -9.16723 27.1195 31.8726 GPRESSAVG: 3515800 -1.441 15.5542 -9.9024 16.1806 -19.5746 25.3678 -9.28532 27.0583 31.4318 TIMING: 3515800 CPU: 10581.5, 0.00297284/step Wall: 10581.5, 0.00297284/step, 1.22564 hours remaining, 209.859375 MB of memory in use. ENERGY: 3515800 714.2273 2062.6991 1936.4196 117.0150 -206379.2967 17779.7820 0.0000 0.0000 34129.0646 -149640.0892 298.0576 -183769.1537 -149544.5342 298.2545 126.1551 159.4261 555787.9608 3.5057 3.4721 PRESSURE: 3516000 -30.1379 -69.106 -47.3135 -69.1045 55.882 36.5972 -47.3139 36.5964 -78.8235 GPRESSURE: 3516000 20.8447 -148.959 -6.8754 -96.2206 115.53 45.7909 -17.6163 107.13 -89.7636 PRESSAVG: 3516000 -63.4149 17.2944 37.3179 17.2944 -22.2035 42.7384 37.3178 42.7383 80.9599 GPRESSAVG: 3516000 -64.0307 19.9292 38.321 15.8316 -22.1209 43.142 38.1793 44.4338 80.5745 TIMING: 3516000 CPU: 10582.1, 0.00299386/step Wall: 10582.1, 0.00299386/step, 1.23413 hours remaining, 209.859375 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: 3516000 749.7846 2063.5551 1945.0902 103.6255 -206201.9782 17686.0172 0.0000 0.0000 34159.8052 -149494.1005 298.3261 -183653.9057 -149387.8904 297.9926 -17.6931 15.5372 556336.4623 -1.5528 -1.8591 PRESSURE: 3516200 -7.80875 61.6712 -54.2834 61.6713 -163.59 16.5798 -54.2828 16.5799 187.602 GPRESSURE: 3516200 -10.0552 9.00513 -25.684 106.88 -107.576 -7.86598 -23.749 22.4615 225.762 PRESSAVG: 3516200 -17.7615 -71.2755 -62.4133 -71.2755 38.8377 -9.67068 -62.4133 -9.67078 -9.63198 GPRESSAVG: 3516200 -18.3385 -70.8565 -62.8562 -70.8033 39.7694 -6.64815 -62.0788 -10.8328 -10.0033 TIMING: 3516200 CPU: 10582.7, 0.00295933/step Wall: 10582.7, 0.00295933/step, 1.21974 hours remaining, 209.859375 MB of memory in use. ENERGY: 3516200 756.4357 2003.2893 1942.9182 105.3741 -206241.5987 17821.2918 0.0000 0.0000 34058.3138 -149553.9758 297.4397 -183612.2896 -149459.5724 298.4369 5.4012 36.0438 557585.9959 3.8147 3.8092 LDB: ============= START OF LOAD BALANCING ============== 10586.2 LDB: ============== END OF LOAD BALANCING =============== 10586.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10586.2 LDB: ============= START OF LOAD BALANCING ============== 10586.5 LDB: Largest compute 4802 load 0.028632 is 24.2% of average load 0.118149 LDB: Average compute 0.001712 is 1.4% of average load 0.118149 LDB: TIME 10586.5 LOAD: AVG 0.118149 MAX 0.206908 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.402 MB LDB: TIME 10586.5 LOAD: AVG 0.118149 MAX 0.206908 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.406 MB LDB: TIME 10586.5 LOAD: AVG 0.118149 MAX 0.206908 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.406 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10586.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10586.5 PRESSURE: 3516400 116.882 -83.3054 122.227 -83.3052 -26.9762 64 122.226 64.0009 81.4055 GPRESSURE: 3516400 117.363 -167.763 102.676 20.9397 -31.3544 36.6668 17.7687 127.692 186.026 PRESSAVG: 3516400 -18.7418 -29.0872 32.2125 -29.0873 39.1027 -0.8603 32.2125 -0.860063 25.5869 GPRESSAVG: 3516400 -17.1458 -30.887 33.6997 -29.6281 35.5582 -3.8504 31.4041 -0.0463421 27.3052 TIMING: 3516400 CPU: 10583.3, 0.00304069/step Wall: 10583.3, 0.00304069/step, 1.2531 hours remaining, 207.917969 MB of memory in use. ENERGY: 3516400 699.4141 2082.4387 1940.8660 124.5780 -205915.9485 17652.8045 0.0000 0.0000 34099.7483 -149316.0988 297.8016 -183415.8472 -149221.3958 298.2322 57.1038 90.6780 558373.2897 15.3159 15.2392 PRESSURE: 3516600 -111.066 30.6343 63.4515 30.6365 84.9967 75.5406 63.4509 75.5407 95.9089 GPRESSURE: 3516600 -77.9176 59.5249 84.3492 23.358 93.0555 186.811 79.4845 67.8096 143.321 PRESSAVG: 3516600 -31.2618 -12.5714 10.8387 -12.5714 -1.83457 44.6204 10.8387 44.6204 18.2401 GPRESSAVG: 3516600 -31.8114 -10.974 10.6158 -11.4854 -1.25853 44.8672 12.0577 46.9316 17.9933 TIMING: 3516600 CPU: 10583.9, 0.00297338/step Wall: 10583.9, 0.00297338/step, 1.2252 hours remaining, 207.917969 MB of memory in use. ENERGY: 3516600 747.4468 2073.3864 1929.7805 106.3944 -206149.1856 17870.4044 0.0000 0.0000 34100.3520 -149321.4212 297.8069 -183421.7732 -149222.5327 298.9283 23.2799 52.8197 557270.6569 -4.9521 -5.0255 PRESSURE: 3516800 145.669 -175.605 161.165 -175.604 50.2961 -183.917 161.166 -183.918 -108.989 GPRESSURE: 3516800 138.354 -170.341 124.78 -181.145 87.6873 -189.145 83.7726 -108.98 -54.7155 PRESSAVG: 3516800 3.57217 2.04107 13.5824 2.04117 7.05107 -61.1454 13.5824 -61.1454 -20.7944 GPRESSAVG: 3516800 4.26164 3.34546 13.2379 0.279443 7.31722 -60.6627 12.4095 -62.5735 -22.6665 TIMING: 3516800 CPU: 10584.5, 0.00299151/step Wall: 10584.5, 0.00299151/step, 1.2325 hours remaining, 207.917969 MB of memory in use. ENERGY: 3516800 757.3230 2123.8093 1954.5955 111.6421 -206527.5354 18012.5566 0.0000 0.0000 34174.1645 -149393.4444 298.4515 -183567.6089 -149294.3864 298.0209 28.9920 57.1088 557751.8920 -3.3904 -3.6959 PRESSURE: 3517000 -69.3282 24.4403 88.5635 24.4396 103.796 122.283 88.5624 122.284 -224.289 GPRESSURE: 3517000 -42.4304 57.1544 12.754 47.5569 88.9184 129.514 72.2306 149.865 -126.542 PRESSAVG: 3517000 -11.1506 -27.7729 26.6466 -27.7729 6.62023 38.4796 26.6466 38.4797 -61.9116 GPRESSAVG: 3517000 -12.6126 -29.4288 26.1538 -27.5326 7.34377 36.9982 27.1844 37.9791 -60.9045 TIMING: 3517000 CPU: 10585.1, 0.00298122/step Wall: 10585.1, 0.00298122/step, 1.2281 hours remaining, 207.917969 MB of memory in use. ENERGY: 3517000 796.9392 2057.8602 1945.2158 105.2614 -206302.2727 17794.4747 0.0000 0.0000 34142.6377 -149459.8837 298.1761 -183602.5215 -149363.0991 298.5808 -63.2738 -26.6848 556945.2048 -22.1473 -22.0578 PRESSURE: 3517200 83.7908 66.1055 -2.99376 66.1059 348.506 164.906 -2.99422 164.906 40.975 GPRESSURE: 3517200 119.426 35.8944 -75.9587 35.9627 386.418 174.524 16.611 137.848 65.2502 PRESSAVG: 3517200 26.8112 -31.5073 52.8751 -31.5073 15.5241 40.2892 52.8751 40.2892 -22.3111 GPRESSAVG: 3517200 27.0216 -32.681 52.6164 -30.6649 14.643 42.3594 52.8281 37.6027 -22.1513 TIMING: 3517200 CPU: 10585.7, 0.00298294/step Wall: 10585.7, 0.00298294/step, 1.22864 hours remaining, 207.917969 MB of memory in use. ENERGY: 3517200 810.7893 2069.3971 1949.5639 102.7038 -206520.6808 18052.8602 0.0000 0.0000 34048.6345 -149486.7320 297.3552 -183535.3664 -149394.0876 298.7440 157.7573 190.3648 555753.6862 6.6747 6.5044 PRESSURE: 3517400 -218.118 8.65503 -14.6127 8.65533 -124.528 109.164 -14.6125 109.165 -367.631 GPRESSURE: 3517400 -233.262 38.4799 -53.9215 38.7068 -67.2631 101.001 -61.6161 179.064 -311.801 PRESSAVG: 3517400 13.5609 -41.6247 -19.701 -41.6246 56.9848 50.3648 -19.7011 50.3648 -47.1435 GPRESSAVG: 3517400 13.2409 -40.4818 -18.0688 -42.1844 57.6614 49.5006 -20.6978 54.2333 -47.4148 TIMING: 3517400 CPU: 10586.3, 0.00299692/step Wall: 10586.3, 0.00299692/step, 1.23423 hours remaining, 207.917969 MB of memory in use. ENERGY: 3517400 776.4127 2063.0900 1980.0392 108.5855 -206192.0378 17670.5736 0.0000 0.0000 34180.1541 -149413.1827 298.5038 -183593.3368 -149324.7049 298.6337 -236.7590 -204.1087 558272.7790 7.8007 7.8292 PRESSURE: 3517600 14.0625 -56.629 -31.8758 -56.6302 -218.494 -201.487 -31.8742 -201.489 -272.396 GPRESSURE: 3517600 93.9305 32.0737 22.6516 -170.475 -236.248 -198.607 -33.6475 -131.782 -240.73 PRESSAVG: 3517600 -9.68857 -26.3959 -20.3153 -26.3959 63.0754 -20.7939 -20.3153 -20.7939 -82.9364 GPRESSAVG: 3517600 -8.83922 -27.966 -22.41 -26.2869 63.1988 -21.0776 -17.5379 -23.0037 -83.5904 TIMING: 3517600 CPU: 10586.9, 0.00298759/step Wall: 10586.9, 0.00298759/step, 1.23022 hours remaining, 207.917969 MB of memory in use. ENERGY: 3517600 771.5185 2101.3090 1958.5503 104.5592 -206372.9564 17698.9534 0.0000 0.0000 34321.4313 -149416.6347 299.7376 -183738.0660 -149322.9245 299.1321 -158.9426 -127.6823 558319.9489 -9.8498 -9.7436 PRESSURE: 3517800 -133.438 62.8784 -101.192 62.8788 -57.1968 88.0797 -101.192 88.0803 -201.533 GPRESSURE: 3517800 -87.1685 18.5198 -102.58 24.7147 -66.9993 30.8787 -166.026 24.803 -140.746 PRESSAVG: 3517800 -52.8185 17.3289 14.2832 17.3289 100.984 -22.9801 14.2832 -22.9802 -53.3965 GPRESSAVG: 3517800 -52.2859 15.7946 15.8233 18.0496 99.5612 -24.0069 11.7029 -21.9121 -52.4489 TIMING: 3517800 CPU: 10587.5, 0.0030062/step Wall: 10587.5, 0.0030062/step, 1.23772 hours remaining, 207.917969 MB of memory in use. ENERGY: 3517800 786.5392 2094.0609 1947.7705 125.1875 -206370.6093 17767.9902 0.0000 0.0000 34239.5919 -149409.4690 299.0229 -183649.0609 -149307.7319 299.2273 -130.7227 -98.3047 556519.3775 -1.7435 -1.7245 PRESSURE: 3518000 238.912 82.4375 -155.699 82.4368 33.3781 129.931 -155.7 129.932 -235.54 GPRESSURE: 3518000 277.719 36.585 -63.0336 89.3449 52.5102 87.5595 -260.757 145.398 -204.151 PRESSAVG: 3518000 43.8145 -30.1365 -5.91374 -30.1364 35.3816 -30.755 -5.91368 -30.755 -48.0137 GPRESSAVG: 3518000 42.9258 -26.694 -5.78882 -32.9324 36.9843 -28.298 -7.43309 -31.3335 -48.9246 TIMING: 3518000 CPU: 10588.1, 0.00297527/step Wall: 10588.1, 0.00297527/step, 1.22482 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: 3518000 762.4891 2134.9313 1927.2450 112.4417 -206571.6325 17900.8180 0.0000 0.0000 34164.8387 -149568.8687 298.3700 -183733.7074 -149468.1639 298.5247 12.2498 42.0260 556351.7984 10.3941 10.3285 PRESSURE: 3518200 0.728748 -150.552 157.311 -150.552 76.6671 46.9572 157.311 46.9568 -125.871 GPRESSURE: 3518200 18.8371 -76.6754 132.882 -214.431 145.898 58.6119 216.578 169.553 -120.538 PRESSAVG: 3518200 89.4713 4.08456 17.9538 4.08456 11.0154 40.1184 17.9539 40.1185 -57.6978 GPRESSAVG: 3518200 90.0955 3.55449 16.8661 5.88845 10.0249 39.1754 19.647 42.9149 -57.3841 TIMING: 3518200 CPU: 10588.7, 0.0029775/step Wall: 10588.7, 0.0029775/step, 1.22557 hours remaining, 207.917969 MB of memory in use. ENERGY: 3518200 714.9314 2064.3858 1937.6513 112.2313 -206549.7821 17829.5527 0.0000 0.0000 34292.0970 -149598.9326 299.4814 -183891.0296 -149491.0971 298.4974 -16.1583 14.7323 556984.3303 14.2630 14.2454 PRESSURE: 3518400 -184.629 -38.7042 15.2602 -38.7043 56.3839 101.77 15.2621 101.769 -186.328 GPRESSURE: 3518400 -195.522 -115.175 27.1532 34.418 93.6473 153.676 92.4745 70.1206 -110.546 PRESSAVG: 3518400 29.946 12.3795 63.0531 12.3795 45.7592 -6.41423 63.0532 -6.4143 -34.2729 GPRESSAVG: 3518400 28.2258 11.3717 62.655 12.3916 46.4161 -5.78143 62.1504 -8.26696 -33.3915 TIMING: 3518400 CPU: 10589.3, 0.00297258/step Wall: 10589.3, 0.00297258/step, 1.22338 hours remaining, 207.917969 MB of memory in use. ENERGY: 3518400 756.9358 2080.0012 1972.0568 113.4585 -206544.8703 17841.7451 0.0000 0.0000 34360.0383 -149420.6347 300.0748 -183780.6730 -149320.9882 299.4516 -104.8577 -70.8069 557320.2885 13.8108 13.7502 PRESSURE: 3518600 16.7474 4.20798 -42.3248 4.20666 113.88 -86.7707 -42.3251 -86.7714 -126.532 GPRESSURE: 3518600 44.0378 -14.513 -92.1553 -52.2727 171.769 -167.509 11.7577 8.4868 -105.352 PRESSAVG: 3518600 19.9772 41.861 5.76051 41.8611 -38.0897 44.6665 5.76059 44.6664 48.1966 GPRESSAVG: 3518600 20.5581 41.9043 5.5742 41.1859 -37.9106 43.2953 5.96641 44.8081 47.7057 TIMING: 3518600 CPU: 10589.9, 0.00297881/step Wall: 10589.9, 0.00297881/step, 1.22578 hours remaining, 207.917969 MB of memory in use. ENERGY: 3518600 756.7492 2076.1265 1936.7501 120.4684 -206569.9609 18163.6015 0.0000 0.0000 34167.4564 -149348.8089 298.3929 -183516.2653 -149255.3473 299.2633 1.3651 36.8180 557720.3362 10.0280 10.1177 PRESSURE: 3518800 -111.338 -131.475 -69.243 -131.474 -7.03383 -83.1148 -69.243 -83.1138 -85.4781 GPRESSURE: 3518800 -40.5659 -82.8277 -94.7264 -77.9432 -33.4578 -25.3421 -85.215 -67.4873 -31.2167 PRESSAVG: 3518800 34.1537 -34.9604 -51.6642 -34.9603 15.8647 -10.6071 -51.6643 -10.6073 -56.982 GPRESSAVG: 3518800 33.9374 -33.9546 -50.8903 -35.7207 14.1364 -8.45844 -52.1189 -9.97602 -54.7725 TIMING: 3518800 CPU: 10590.5, 0.00298992/step Wall: 10590.5, 0.00298992/step, 1.23018 hours remaining, 207.917969 MB of memory in use. ENERGY: 3518800 746.3246 2117.1767 1934.7368 108.7776 -206379.2738 17992.2051 0.0000 0.0000 34129.2044 -149350.8484 298.0588 -183480.0528 -149260.4317 298.8017 -67.9500 -35.0801 558277.2698 -2.3212 -2.2329 PRESSURE: 3519000 -41.2082 14.0597 96.1561 14.0593 -54.8401 -27.4031 96.1561 -27.404 -39.2221 GPRESSURE: 3519000 36.164 3.87468 145.6 103.778 -14.4062 -38.4186 51.8248 -30.8865 -43.8071 PRESSAVG: 3519000 41.363 -6.69855 -59.3511 -6.69847 -17.694 53.5076 -59.3511 53.5076 -9.40796 GPRESSAVG: 3519000 42.5692 -5.85157 -60.4113 -6.38623 -17.7604 52.4802 -57.6904 52.4176 -10.9799 TIMING: 3519000 CPU: 10591.1, 0.00298654/step Wall: 10591.1, 0.00298654/step, 1.22863 hours remaining, 207.917969 MB of memory in use. ENERGY: 3519000 748.5162 2028.5516 1944.3024 119.2075 -206337.7628 18018.0524 0.0000 0.0000 34010.3486 -149468.7840 297.0208 -183479.1326 -149377.5913 298.8063 -45.0902 -7.3498 558846.0761 4.7537 4.6096 PRESSURE: 3519200 56.6065 70.6396 0.419007 70.6393 246.428 132.637 0.418815 132.639 85.9542 GPRESSURE: 3519200 86.2896 57.2035 -51.4294 147.214 267.771 116.628 -23.5948 140.015 127.817 PRESSAVG: 3519200 -47.2032 24.6461 8.27899 24.6461 -27.3369 48.0239 8.27897 48.0238 83.5609 GPRESSAVG: 3519200 -47.7579 22.9852 8.63515 24.9283 -26.258 48.3979 9.44962 48.706 83.4698 TIMING: 3519200 CPU: 10591.7, 0.00302592/step Wall: 10591.7, 0.00302592/step, 1.24466 hours remaining, 207.917969 MB of memory in use. ENERGY: 3519200 740.7761 2084.4700 1931.1142 123.2630 -206761.7730 18188.3790 0.0000 0.0000 34251.8474 -149441.9232 299.1299 -183693.7706 -149346.7996 298.1603 129.6629 160.6260 558363.6411 3.0069 3.1513 PRESSURE: 3519400 89.979 14.2401 -234.776 14.2393 4.37637 -138.361 -234.776 -138.361 216.375 GPRESSURE: 3519400 185.987 77.8335 -186.979 27.2882 14.4032 -172.942 -201.261 -80.8329 206.531 PRESSAVG: 3519400 25.3867 3.2402 -64.2361 3.24024 -36.6497 44.4262 -64.2361 44.4263 38.6099 GPRESSAVG: 3519400 24.6577 2.00393 -63.6538 4.64882 -36.0129 45.0577 -66.5614 45.6333 38.5191 TIMING: 3519400 CPU: 10592.3, 0.00297822/step Wall: 10592.3, 0.00297822/step, 1.22488 hours remaining, 207.917969 MB of memory in use. ENERGY: 3519400 741.6073 2083.0660 1939.2628 100.8456 -206383.4032 18014.6694 0.0000 0.0000 34268.8625 -149235.0896 299.2785 -183503.9521 -149131.0338 298.5972 103.5767 135.6404 558129.4344 9.1156 9.0546 PRESSURE: 3519600 15.3591 -75.7819 -27.8728 -75.7813 88.4786 112.839 -27.8726 112.838 -63.9724 GPRESSURE: 3519600 -7.12546 -65.2498 52.3381 -106.514 156.308 81.1014 -29.1061 152.795 -21.5613 PRESSAVG: 3519600 24.5503 -5.89326 33.7136 -5.89333 -16.9 -6.83792 33.7137 -6.83784 -17.9841 GPRESSAVG: 3519600 26.3005 -3.94789 33.7325 -7.01274 -19.3998 -7.08653 33.206 -8.60788 -17.0174 TIMING: 3519600 CPU: 10592.9, 0.00299491/step Wall: 10592.9, 0.00299491/step, 1.23157 hours remaining, 207.917969 MB of memory in use. ENERGY: 3519600 706.1125 2103.5174 1941.3259 117.4265 -206106.7099 17662.3492 0.0000 0.0000 34465.3546 -149110.6237 300.9945 -183575.9783 -149020.0924 299.4307 13.2884 42.5404 557584.6031 -3.4446 -3.3722 PRESSURE: 3519800 -198.268 65.3246 144.925 65.3245 -61.6442 33.863 144.925 33.8622 53.7982 GPRESSURE: 3519800 -145.362 -16.0836 135.153 66.383 -23.0601 22.2938 141.219 41.3372 49.5954 PRESSAVG: 3519800 21.9884 -48.7422 46.6146 -48.7422 -32.9792 71.0432 46.6145 71.0432 25.7455 GPRESSAVG: 3519800 20.0756 -49.8557 45.1779 -47.9453 -30.7802 69.8649 48.6113 72.0096 24.6233 TIMING: 3519800 CPU: 10593.5, 0.00300107/step Wall: 10593.5, 0.00300107/step, 1.23394 hours remaining, 207.917969 MB of memory in use. ENERGY: 3519800 749.5998 2074.1277 1952.7606 98.5446 -206223.5015 17779.2642 0.0000 0.0000 34348.5061 -149220.6984 299.9740 -183569.2045 -149120.6320 299.3651 -68.7045 -39.6088 557173.5625 4.9182 4.6396 PRESSURE: 3520000 -120.687 -19.3697 -88.6318 -19.3701 -180.072 -230.497 -88.6314 -230.498 -79.6086 GPRESSURE: 3520000 -80.4791 2.45275 50.0621 -66.2913 -148.861 -194.877 -211.098 -237.806 -62.636 PRESSAVG: 3520000 4.21235 -2.32399 0.290698 -2.32407 -3.15002 -44.0379 0.290643 -44.0379 -39.1516 GPRESSAVG: 3520000 4.69352 -0.540713 1.59609 -2.23714 -3.26743 -43.0382 -0.272613 -45.2776 -38.8287 TIMING: 3520000 CPU: 10594.1, 0.00297472/step Wall: 10594.1, 0.00297472/step, 1.22294 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: 3520000 789.9941 2122.5721 1957.0391 109.1170 -205532.6357 17474.2075 0.0000 0.0000 34022.3188 -149057.3871 297.1254 -183079.7059 -148970.3518 299.3282 -126.7894 -97.3252 559498.7001 -12.6964 -12.4675 PRESSURE: 3520200 255.295 32.6795 78.7485 32.6799 347.286 -93.9555 78.7477 -93.9565 203.49 GPRESSURE: 3520200 328.427 14.611 144.372 78.1822 318.602 -210.714 117.314 4.43278 262.199 PRESSAVG: 3520200 1.02074 -11.6028 1.43581 -11.6027 3.06187 -65.8828 1.43586 -65.8828 -21.7682 GPRESSAVG: 3520200 1.04159 -14.0478 0.778684 -10.9452 2.61772 -66.9515 -0.3581 -64.8387 -21.5903 TIMING: 3520200 CPU: 10594.7, 0.00297817/step Wall: 10594.7, 0.00297817/step, 1.22419 hours remaining, 207.917969 MB of memory in use. ENERGY: 3520200 721.6740 2083.2223 1954.3712 122.1314 -206450.6014 18102.7514 0.0000 0.0000 34275.1988 -149191.2523 299.3338 -183466.4512 -149097.0879 299.2654 268.6903 303.0761 558022.3865 -5.8952 -5.9770 LDB: ============= START OF LOAD BALANCING ============== 10598.2 LDB: ============== END OF LOAD BALANCING =============== 10598.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10598.2 LDB: ============= START OF LOAD BALANCING ============== 10598.5 LDB: Largest compute 4802 load 0.028632 is 24.2% of average load 0.118192 LDB: Average compute 0.001726 is 1.5% of average load 0.118192 LDB: TIME 10598.5 LOAD: AVG 0.118192 MAX 0.206028 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 10598.5 LOAD: AVG 0.118192 MAX 0.206028 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: TIME 10598.5 LOAD: AVG 0.118192 MAX 0.206028 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10598.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10598.5 PRESSURE: 3520400 62.3561 -32.1574 -197.147 -32.1594 199.147 117.289 -197.147 117.29 -252.512 GPRESSURE: 3520400 133.909 -82.8589 -142.831 -124.264 258.315 144.8 -230.404 46.4472 -281.217 PRESSAVG: 3520400 -5.20763 30.1149 7.39859 30.115 69.9364 -2.0776 7.3986 -2.07762 -82.5802 GPRESSAVG: 3520400 -4.99085 29.4864 8.47885 27.8871 69.693 -0.551992 7.24133 -3.26248 -83.5861 TIMING: 3520400 CPU: 10595.3, 0.00302201/step Wall: 10595.3, 0.00302201/step, 1.24205 hours remaining, 210.277344 MB of memory in use. ENERGY: 3520400 724.1217 2093.3686 1967.2763 117.0909 -206097.9972 17739.6525 0.0000 0.0000 34272.7462 -149183.7411 299.3124 -183456.4873 -149087.4966 298.2078 2.9969 37.0022 558885.7884 -5.9505 -6.2946 PRESSURE: 3520600 38.4941 211.935 57.1204 211.935 -123.371 18.3662 57.1208 18.3671 173.537 GPRESSURE: 3520600 99.9119 198.393 58.0026 198.282 -89.1406 64.1382 36.5596 -129.964 183.485 PRESSAVG: 3520600 13.7657 54.9949 -25.757 54.995 -10.3272 -28.2704 -25.757 -28.2705 2.48667 GPRESSAVG: 3520600 12.7171 57.2121 -27.8799 55.9238 -8.59544 -30.2471 -23.4784 -24.4598 1.93487 TIMING: 3520600 CPU: 10595.9, 0.0029969/step Wall: 10595.9, 0.0029969/step, 1.23156 hours remaining, 210.480469 MB of memory in use. ENERGY: 3520600 744.5174 2030.8276 1948.0694 122.4554 -205937.1644 17741.2897 0.0000 0.0000 34255.1093 -149094.8955 299.1584 -183350.0048 -148992.0552 299.5710 29.5533 64.7521 557137.2159 1.9750 2.0188 PRESSURE: 3520800 -212.324 128.626 -104.794 128.627 -163.839 -10.6729 -104.795 -10.6736 -337.133 GPRESSURE: 3520800 -193.161 176.814 -204.785 128.462 -103.546 -39.3982 -18.4543 72.4008 -318.173 PRESSAVG: 3520800 56.7084 14.7221 -53.7892 14.7221 -80.5525 5.66642 -53.7892 5.66638 -5.27137 GPRESSAVG: 3520800 58.8329 14.7581 -53.7079 15.1842 -83.003 7.14386 -55.2987 1.86958 -5.57894 TIMING: 3520800 CPU: 10596.5, 0.0029752/step Wall: 10596.5, 0.0029752/step, 1.22248 hours remaining, 210.683594 MB of memory in use. ENERGY: 3520800 761.7885 2093.7929 1965.0414 104.1533 -205920.7668 17572.6455 0.0000 0.0000 34293.6584 -149129.6867 299.4950 -183423.3451 -149043.2724 299.2643 -237.7653 -204.9603 558984.9773 -9.7052 -9.9163 PRESSURE: 3521000 -146.843 60.2744 85.2223 60.2742 -266.421 24.4067 85.2224 24.4062 204.534 GPRESSURE: 3521000 -197.76 4.90261 175.285 126.415 -172.321 8.35653 -21.7725 48.3722 236.216 PRESSAVG: 3521000 3.08935 26.5196 -13.1077 26.5195 -29.9132 -17.1991 -13.1078 -17.199 17.243 GPRESSAVG: 3521000 2.39411 24.7584 -11.9982 25.6147 -28.8901 -18.5596 -11.7959 -15.5636 16.4472 TIMING: 3521000 CPU: 10597.1, 0.0029832/step Wall: 10597.1, 0.0029832/step, 1.2256 hours remaining, 210.683594 MB of memory in use. ENERGY: 3521000 776.8318 2037.0786 1970.4036 115.5095 -206037.1145 17607.4547 0.0000 0.0000 34304.8060 -149225.0303 299.5924 -183529.8362 -149125.0959 300.0602 -69.5768 -44.6217 557888.4947 -3.1936 -3.3496 PRESSURE: 3521200 28.5163 14.0532 280.184 14.0535 62.1264 -253.874 280.184 -253.876 46.7767 GPRESSURE: 3521200 89.5301 -36.622 235.399 -9.06639 93.7738 -267.269 192.3 -261.931 46.8716 PRESSAVG: 3521200 -50.8513 21.4274 -12.3229 21.4274 11.4061 -10.037 -12.3229 -10.037 35.2811 GPRESSAVG: 3521200 -51.1727 23.4089 -12.1093 21.5226 11.9469 -9.96637 -14.5257 -11.5695 35.5281 TIMING: 3521200 CPU: 10597.7, 0.00298111/step Wall: 10597.7, 0.00298111/step, 1.22457 hours remaining, 210.683594 MB of memory in use. ENERGY: 3521200 756.6162 2090.6230 1955.3844 107.5150 -206392.3791 17880.5673 0.0000 0.0000 34493.6807 -149107.9925 301.2419 -183601.6732 -149006.1808 299.3822 45.8065 76.7251 557574.2937 -1.3880 -1.2326 PRESSURE: 3521400 19.0591 -28.2622 -206.302 -28.2617 -109.025 72.3542 -206.303 72.3549 -29.672 GPRESSURE: 3521400 16.3063 82.4113 -180.761 -90.9016 -72.8432 65.6271 -86.8143 66.9056 38.0196 PRESSAVG: 3521400 13.2353 -20.4324 2.95774 -20.4323 -18.2118 -23.2047 2.95775 -23.2047 34.9736 GPRESSAVG: 3521400 14.1237 -20.1807 1.89974 -20.8637 -19.43 -24.7898 6.87335 -22.6882 34.9386 TIMING: 3521400 CPU: 10598.3, 0.00300446/step Wall: 10598.3, 0.00300446/step, 1.234 hours remaining, 210.683594 MB of memory in use. ENERGY: 3521400 773.0799 2057.7966 1950.8829 102.3483 -206118.7255 17755.2256 0.0000 0.0000 34322.4788 -149156.9134 299.7467 -183479.3922 -149060.6277 299.3039 -39.8791 -6.1725 558121.4103 9.9990 9.8774 PRESSURE: 3521600 -28.7706 182.386 -30.4431 182.387 -136.559 -27.7711 -30.4425 -27.7718 57.8233 GPRESSURE: 3521600 -16.8545 240.467 38.7868 208.869 -83.4382 -59.1562 -10.4217 9.47355 85.2028 PRESSAVG: 3521600 46.1136 85.3455 -11.592 85.3456 -46.6839 17.4006 -11.592 17.4004 20.4386 GPRESSAVG: 3521600 45.6756 84.4452 -10.0611 87.8062 -47.8167 19.0698 -15.7281 18.2635 22.2941 TIMING: 3521600 CPU: 10598.9, 0.00299912/step Wall: 10598.9, 0.00299912/step, 1.23164 hours remaining, 210.683594 MB of memory in use. ENERGY: 3521600 747.8499 2047.1276 1954.1720 98.2065 -206103.2580 17720.7494 0.0000 0.0000 34431.8329 -149103.3197 300.7018 -183535.1526 -148999.2913 299.4352 -35.8356 -5.0299 557142.0161 6.6228 6.7177 PRESSURE: 3521800 -29.3478 -71.5251 108.761 -71.525 178.16 -140.419 108.761 -140.419 115.709 GPRESSURE: 3521800 67.4071 -82.7642 72.2296 -91.7989 210.349 -32.447 96.6016 -76.4322 84.2058 PRESSAVG: 3521800 -50.6397 37.6899 -6.07054 37.6899 -32.4335 27.8633 -6.07063 27.8632 21.5559 GPRESSAVG: 3521800 -51.3305 39.2782 -9.43289 36.4755 -30.1532 27.1705 -3.11819 29.1735 20.0843 TIMING: 3521800 CPU: 10599.5, 0.00300536/step Wall: 10599.5, 0.00300536/step, 1.23404 hours remaining, 210.683594 MB of memory in use. ENERGY: 3521800 775.3818 2107.4194 1941.3101 111.3917 -206417.6023 18035.1789 0.0000 0.0000 34327.4721 -149119.4483 299.7904 -183446.9204 -149027.1991 300.0716 88.1737 120.6541 558512.6318 -20.5058 -20.4665 PRESSURE: 3522000 -13.5889 -66.7782 -27.8076 -66.7776 -91.7167 -45.7491 -27.8076 -45.7496 246.922 GPRESSURE: 3522000 33.4101 -167.157 49.4433 -0.125945 -65.3658 -23.6219 31.1018 -61.7036 274.272 PRESSAVG: 3522000 0.61812 -7.74212 -29.0534 -7.74205 16.0662 31.7642 -29.0535 31.7643 14.4257 GPRESSAVG: 3522000 0.921763 -9.65382 -25.157 -9.22111 14.0876 32.5059 -29.3561 28.2982 16.2325 TIMING: 3522000 CPU: 10600.1, 0.00299714/step Wall: 10600.1, 0.00299714/step, 1.23049 hours remaining, 210.683594 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: 3522000 798.9405 2107.5707 1936.3383 115.1351 -206441.4666 17981.0568 0.0000 0.0000 34255.5249 -149246.9004 299.1620 -183502.4253 -149150.5859 299.8128 47.2055 80.7722 558462.3878 10.3700 10.4139 PRESSURE: 3522200 175.753 -84.3563 74.4621 -84.356 271.157 116.959 74.4638 116.959 174.848 GPRESSURE: 3522200 196.669 -106.968 195.751 -118.768 284.836 246.613 42.7145 89.8024 238.136 PRESSAVG: 3522200 -27.8189 -22.6306 -5.357 -22.6305 4.89354 44.3831 -5.35689 44.3831 39.1212 GPRESSAVG: 3522200 -27.1602 -22.0831 -6.73711 -23.2112 5.43404 44.6941 -5.44215 46.5925 37.8983 TIMING: 3522200 CPU: 10600.7, 0.00297488/step Wall: 10600.7, 0.00297488/step, 1.22119 hours remaining, 210.683594 MB of memory in use. ENERGY: 3522200 759.1805 2109.7605 1932.9684 114.5070 -206967.9747 18499.7967 0.0000 0.0000 34271.3667 -149280.3948 299.3004 -183551.7616 -149184.0145 299.4177 207.2528 239.8804 559143.2678 5.3986 5.3907 PRESSURE: 3522400 79.9422 4.7603 -102.076 4.76046 131.797 74.1713 -102.075 74.1693 55.9206 GPRESSURE: 3522400 134.928 -58.7505 -148.875 33.731 175.877 94.7099 -126.799 101.455 36.9374 PRESSAVG: 3522400 68.2612 -34.107 -13.1843 -34.107 -31.0738 56.0448 -13.1843 56.0448 -51.7123 GPRESSAVG: 3522400 67.596 -35.4344 -13.4093 -32.3423 -30.3791 55.5462 -12.0553 56.438 -52.1024 TIMING: 3522400 CPU: 10601.3, 0.00299653/step Wall: 10601.3, 0.00299653/step, 1.22991 hours remaining, 210.683594 MB of memory in use. ENERGY: 3522400 760.1822 2052.7132 1928.9888 119.5764 -206321.8957 18027.4419 0.0000 0.0000 34303.3201 -149129.6731 299.5794 -183432.9932 -149027.3338 299.0807 89.2199 115.9142 559193.4234 -4.8416 -4.9618 PRESSURE: 3522600 143.882 -119.941 -60.8117 -119.941 133.771 176.553 -60.8115 176.553 22.3614 GPRESSURE: 3522600 160.916 -84.4037 -62.8982 -122.926 171.012 156.705 -27.5398 117.323 54.0285 PRESSAVG: 3522600 33.3987 -26.8409 -43.4095 -26.8409 -64.5427 11.7379 -43.4096 11.7381 18.67 GPRESSAVG: 3522600 33.9804 -25.7965 -42.8196 -25.9412 -64.4851 12.1281 -44.8286 10.7644 18.9076 TIMING: 3522600 CPU: 10601.9, 0.00297324/step Wall: 10601.9, 0.00297324/step, 1.22018 hours remaining, 210.683594 MB of memory in use. ENERGY: 3522600 727.3224 2145.6588 1924.0058 127.8310 -206394.4294 18055.3943 0.0000 0.0000 34388.5989 -149025.6183 300.3242 -183414.2172 -148930.8226 299.9917 100.0046 128.6523 556618.8525 -4.1580 -3.8657 PRESSURE: 3522800 -3.33634 115.569 -44.2889 115.568 -184.785 239.229 -44.2891 239.228 96.5709 GPRESSURE: 3522800 41.7948 143.839 -183.822 90.8858 -183.205 252.279 -14.2645 208.898 154.858 PRESSAVG: 3522800 -27.4885 -10.5056 14.5161 -10.5056 64.5162 12.8034 14.5161 12.8034 -61.3088 GPRESSAVG: 3522800 -26.1475 -10.5756 14.4077 -11.1018 63.4154 11.7797 14.8703 13.0785 -61.0495 TIMING: 3522800 CPU: 10602.4, 0.00293749/step Wall: 10602.4, 0.00293749/step, 1.20535 hours remaining, 210.683594 MB of memory in use. ENERGY: 3522800 765.6689 2116.4005 1944.8966 113.7161 -206066.1091 17763.0213 0.0000 0.0000 34427.6911 -148934.7146 300.6656 -183362.4057 -148844.1252 299.6543 -30.5167 4.4826 558558.6260 -8.0937 -7.9272 PRESSURE: 3523000 -389.614 140.114 106.972 140.114 -103.041 72.3756 106.971 72.3755 72.3802 GPRESSURE: 3523000 -378.683 66.8038 121.704 182.937 -12.9512 83.0219 27.9739 134.026 58.3698 PRESSAVG: 3523000 -17.5403 9.02401 14.6564 9.02406 28.1369 -8.71616 14.6564 -8.71614 25.3733 GPRESSAVG: 3523000 -19.0483 8.95575 14.2112 8.81742 29.47 -7.52776 13.8591 -10.4508 25.7348 TIMING: 3523000 CPU: 10603, 0.00295571/step Wall: 10603, 0.00295571/step, 1.21266 hours remaining, 210.683594 MB of memory in use. ENERGY: 3523000 775.7037 2079.3664 1966.4419 108.0505 -205466.7637 17601.7981 0.0000 0.0000 34033.9073 -148901.4958 297.2266 -182935.4031 -148804.4230 300.3567 -140.0914 -111.0882 559316.0214 11.9900 12.0522 PRESSURE: 3523200 51.4883 -5.02705 -133.197 -5.02738 -30.1487 99.3541 -133.198 99.3544 -75.9344 GPRESSURE: 3523200 43.9892 -15.8333 -81.71 -38.8319 29.1836 121.947 -101.923 153.275 -40.285 PRESSAVG: 3523200 -38.1354 41.1466 -31.8085 41.1466 26.6727 -13.3962 -31.8086 -13.3962 29.7477 GPRESSAVG: 3523200 -39.0118 39.7261 -31.1643 41.913 26.6591 -14.6359 -29.9268 -11.8805 30.2883 TIMING: 3523200 CPU: 10603.6, 0.00300706/step Wall: 10603.6, 0.00300706/step, 1.23356 hours remaining, 210.683594 MB of memory in use. ENERGY: 3523200 785.2613 2147.0575 1931.6456 110.1813 -205944.2294 17688.9368 0.0000 0.0000 34405.7163 -148875.4306 300.4737 -183281.1469 -148769.7732 300.3209 -18.1983 10.9626 556630.2891 6.0950 5.9785 PRESSURE: 3523400 -66.1729 97.2118 -142.718 97.2109 109.889 -28.8331 -142.718 -28.8329 20.2378 GPRESSURE: 3523400 -43.2829 85.1025 -100.543 66.3246 150.985 -160.99 -157.196 -89.14 44.9147 PRESSAVG: 3523400 -54.3616 17.1684 -0.00710176 17.1685 2.79304 22.2989 -0.00694941 22.299 51.0675 GPRESSAVG: 3523400 -53.8888 19.7028 0.194627 15.9571 2.06563 22.6782 -1.16956 22.869 50.7268 TIMING: 3523400 CPU: 10604.2, 0.00301769/step Wall: 10604.2, 0.00301769/step, 1.23775 hours remaining, 210.683594 MB of memory in use. ENERGY: 3523400 774.2195 2083.3434 1928.6147 102.7072 -206196.5978 17734.2831 0.0000 0.0000 34398.8122 -149174.6177 300.4134 -183573.4299 -149079.9471 299.5414 21.3181 50.8723 555848.9125 -0.1670 -0.3655 PRESSURE: 3523600 73.1104 13.2592 -35.3284 13.259 -112.07 18.4344 -35.328 18.433 -300.1 GPRESSURE: 3523600 92.8422 -3.64101 -25.5525 19.3066 -32.158 7.67611 13.3607 -19.2252 -296.186 PRESSAVG: 3523600 -30.2682 23.3668 -5.19312 23.3667 64.6451 -7.2374 -5.19307 -7.23734 -10.1899 GPRESSAVG: 3523600 -29.8949 22.9355 -3.75186 25.0275 65.3635 -6.13817 -4.61157 -7.62794 -11.265 TIMING: 3523600 CPU: 10604.8, 0.00299538/step Wall: 10604.8, 0.00299538/step, 1.22844 hours remaining, 210.683594 MB of memory in use. ENERGY: 3523600 735.4645 2108.0305 1974.9976 99.8182 -205937.7412 17591.9191 0.0000 0.0000 34219.9668 -149207.5444 298.8515 -183427.5112 -149109.7101 299.4927 -113.0199 -78.5005 557576.6197 8.0624 8.0679 PRESSURE: 3523800 -5.0771 -107.444 61.5484 -107.445 -56.8478 30.4551 61.5476 30.4565 149.467 GPRESSURE: 3523800 -37.0834 -49.8916 35.4504 -136.477 14.2599 29.8515 49.7943 77.2673 211.893 PRESSAVG: 3523800 -34.7777 12.8759 -9.53004 12.8759 0.383691 29.4565 -9.53011 29.4566 16.2746 GPRESSAVG: 3523800 -36.8687 11.3295 -9.48638 9.09936 1.33741 27.8713 -10.526 28.96 17.8429 TIMING: 3523800 CPU: 10605.4, 0.00296151/step Wall: 10605.4, 0.00296151/step, 1.21438 hours remaining, 210.683594 MB of memory in use. ENERGY: 3523800 728.9118 2084.2754 1929.3300 112.5664 -205978.1224 17781.7683 0.0000 0.0000 34102.9001 -149238.3704 297.8291 -183341.2705 -149149.4447 299.0494 29.1808 63.0233 557983.8209 -6.0398 -5.8961 PRESSURE: 3524000 144.492 -9.25839 -61.3175 -9.25798 11.2066 20.6041 -61.3183 20.6025 274.442 GPRESSURE: 3524000 203.353 12.8509 -23.5249 15.2418 37.2172 -37.0105 -93.1622 40.8523 288.965 PRESSAVG: 3524000 21.0872 -33.3251 50.2447 -33.3251 -39.4605 44.3511 50.2447 44.3511 27.215 GPRESSAVG: 3524000 22.7828 -32.9179 49.3606 -29.3082 -39.7821 44.3204 50.9694 45.0869 25.7815 TIMING: 3524000 CPU: 10606, 0.00296612/step Wall: 10606, 0.00296612/step, 1.21611 hours remaining, 210.683594 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: 3524000 723.5181 2082.6548 1936.2262 107.9475 -206248.7827 17831.5547 0.0000 0.0000 34437.8139 -149129.0675 300.7540 -183566.8814 -149033.5566 299.4166 143.3802 176.5117 556051.5883 2.9473 2.9274 PRESSURE: 3524200 -1.4518 6.25098 -57.5865 6.2512 -49.7388 162.792 -57.5869 162.79 -146.67 GPRESSURE: 3524200 38.8836 27.0808 -81.0456 39.605 -50.1212 91.0815 -45.3802 278.656 -103.935 PRESSAVG: 3524200 -30.3626 20.9643 -18.7805 20.9644 10.1599 20.0141 -18.7804 20.0141 -13.1818 GPRESSAVG: 3524200 -30.8885 19.9035 -19.2328 20.891 8.67528 20.0074 -19.5586 19.4894 -10.9243 TIMING: 3524200 CPU: 10606.6, 0.00296137/step Wall: 10606.6, 0.00296137/step, 1.214 hours remaining, 210.683594 MB of memory in use. ENERGY: 3524200 748.1450 2099.6155 1942.5826 104.0227 -206038.8340 17580.0374 0.0000 0.0000 34376.2809 -149188.1499 300.2166 -183564.4308 -149092.6858 299.9548 -65.9534 -38.3908 557006.0507 -11.1281 -11.0458 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 4802 load 0.027139 is 23.0% of average load 0.118208 LDB: Average compute 0.001716 is 1.5% of average load 0.118208 LDB: TIME 10610.4 LOAD: AVG 0.118208 MAX 0.207991 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.43 MB LDB: TIME 10610.4 LOAD: AVG 0.118208 MAX 0.207991 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: TIME 10610.4 LOAD: AVG 0.118208 MAX 0.207991 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 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: 3524400 111.082 102.273 42.9421 102.273 -95.1041 167.011 42.9418 167.011 -116.542 GPRESSURE: 3524400 119.873 135.837 131.734 72.6024 -102.968 71.8861 16.3927 210.406 -14.807 PRESSAVG: 3524400 33.9194 -24.6457 -23.0571 -24.6457 -19.3659 32.2983 -23.057 32.2983 -21.983 GPRESSAVG: 3524400 34.0964 -21.6078 -20.5614 -27.835 -19.0748 32.4953 -24.2531 34.2678 -22.6783 TIMING: 3524400 CPU: 10607.2, 0.00305427/step Wall: 10607.2, 0.00305427/step, 1.25191 hours remaining, 210.734375 MB of memory in use. ENERGY: 3524400 741.9022 2050.1667 1942.7070 103.3816 -206386.6471 17965.9061 0.0000 0.0000 34217.1372 -149365.4464 298.8268 -183582.5835 -149270.6868 298.8337 -33.5213 0.6992 557393.7623 -2.4765 -2.5522 PRESSURE: 3524600 -42.6996 -11.9769 -24.175 -11.9759 206.937 154.325 -24.1752 154.326 182.641 GPRESSURE: 3524600 23.3004 97.0208 -67.8769 -73.9974 206.083 201.358 9.7563 126.966 226.207 PRESSAVG: 3524600 50.9635 11.3111 -22.228 11.3111 -84.2176 -24.8773 -22.2281 -24.8773 56.9664 GPRESSAVG: 3524600 51.6264 9.83055 -23.8574 12.8861 -84.6677 -24.4615 -22.0789 -28.2404 56.3262 TIMING: 3524600 CPU: 10607.8, 0.00295886/step Wall: 10607.8, 0.00295886/step, 1.21264 hours remaining, 210.746094 MB of memory in use. ENERGY: 3524600 752.1695 2089.8936 1930.0430 99.2220 -206386.3664 17986.3388 0.0000 0.0000 34199.0038 -149329.6957 298.6684 -183528.6995 -149235.2050 297.9298 115.6262 151.8634 557312.9481 7.9041 7.7616 PRESSURE: 3524800 138.827 72.4701 62.4422 72.4691 73.3604 6.69053 62.441 6.69087 -2.98378 GPRESSURE: 3524800 132.889 109.674 44.4337 109.577 123.536 16.5914 152.083 28.2209 56.5926 PRESSAVG: 3524800 98.4166 13.4057 1.8434 13.4057 -65.6131 2.00969 1.84334 2.00982 -25.7064 GPRESSAVG: 3524800 97.8539 14.3781 2.85121 12.3997 -65.0154 2.55628 1.30332 2.44049 -26.2182 TIMING: 3524800 CPU: 10608.4, 0.00296389/step Wall: 10608.4, 0.00296389/step, 1.21454 hours remaining, 210.746094 MB of memory in use. ENERGY: 3524800 747.5098 2105.9735 1947.7276 106.5793 -206255.9001 17892.3369 0.0000 0.0000 34146.1895 -149309.5835 298.2072 -183455.7730 -149220.8649 298.1464 69.7347 104.3393 558348.3691 2.3657 2.2068 PRESSURE: 3525000 129.077 76.4609 -107.36 76.4614 109.325 -112.844 -107.361 -112.844 -62.8256 GPRESSURE: 3525000 107.432 151.331 -180.471 50.4243 175.11 -86.8264 -54.857 -117.422 -13.9095 PRESSAVG: 3525000 16.0036 5.34754 -24.0766 5.34744 55.0019 14.8555 -24.0766 14.8555 -55.7988 GPRESSAVG: 3525000 16.4221 1.8737 -25.8555 7.76497 54.1586 14.7916 -21.732 13.6397 -55.173 TIMING: 3525000 CPU: 10609, 0.00296191/step Wall: 10609, 0.00296191/step, 1.21356 hours remaining, 210.746094 MB of memory in use. ENERGY: 3525000 732.0174 2108.0431 1945.8796 99.0202 -206312.4318 17947.5327 0.0000 0.0000 34312.6967 -149167.2421 299.6613 -183479.9388 -149067.2772 299.3688 58.5253 89.5443 557559.4713 5.0689 5.1359 PRESSURE: 3525200 84.2093 -8.95837 72.9175 -8.95752 215.666 34.1281 72.9166 34.128 33.1788 GPRESSURE: 3525200 122.77 44.9217 118.005 -36.4691 215.305 52.6319 95.1587 -20.8737 94.6767 PRESSAVG: 3525200 53.1748 -4.24658 -24.2875 -4.24661 25.6159 5.95414 -24.2875 5.95421 -80.7875 GPRESSAVG: 3525200 51.513 -4.43852 -22.9192 -2.26424 27.1369 4.1799 -26.7677 9.48278 -80.157 TIMING: 3525200 CPU: 10609.6, 0.00297654/step Wall: 10609.6, 0.00297654/step, 1.21939 hours remaining, 210.746094 MB of memory in use. ENERGY: 3525200 726.6430 2132.6232 1936.3842 118.3478 -206446.7950 17878.2792 0.0000 0.0000 34540.0564 -149114.4612 301.6469 -183654.5176 -149013.0082 299.7314 111.0179 144.2507 557374.5759 -0.6656 -0.5024 PRESSURE: 3525400 71.9992 128.002 13.6065 128.003 -69.4999 89.3584 13.6059 89.3581 258.523 GPRESSURE: 3525400 139.731 96.3562 43.0991 177.839 -47.3009 22.2455 -38.8011 63.2508 266.498 PRESSAVG: 3525400 -14.0072 5.32705 -24.7012 5.32707 40.3697 9.81108 -24.7012 9.81114 15.2216 GPRESSAVG: 3525400 -12.5163 8.20384 -24.3437 3.23687 40.1497 12.3846 -24.149 7.38086 13.9914 TIMING: 3525400 CPU: 10610.2, 0.00295976/step Wall: 10610.2, 0.00295976/step, 1.21235 hours remaining, 210.746094 MB of memory in use. ENERGY: 3525400 738.3842 2081.3332 1968.8119 122.4266 -206429.7735 17919.0731 0.0000 0.0000 34384.9219 -149214.8228 300.2921 -183599.7446 -149112.8371 299.9494 87.0074 119.6425 555092.7848 13.8614 13.8749 PRESSURE: 3525600 151.963 69.4703 18.6907 69.4708 -49.2018 -82.2099 18.6915 -82.2082 -78.3964 GPRESSURE: 3525600 171.274 40.8474 85.5992 13.9007 9.19848 -75.0825 -12.7777 -51.1027 -72.7519 PRESSAVG: 3525600 -33.2606 13.281 -15.6109 13.2809 21.3745 28.4075 -15.6109 28.4076 7.09785 GPRESSAVG: 3525600 -34.7232 9.71384 -16.3486 13.0364 23.0717 26.1164 -13.9355 30.8819 7.06368 TIMING: 3525600 CPU: 10610.8, 0.00297197/step Wall: 10610.8, 0.00297197/step, 1.21719 hours remaining, 210.746094 MB of memory in use. ENERGY: 3525600 777.5961 2182.6207 1962.8830 119.4229 -206261.3474 17722.4858 0.0000 0.0000 34343.8609 -149152.4780 299.9335 -183496.3389 -149057.5869 299.8350 8.1215 35.9070 555841.7506 -1.5961 -1.5293 PRESSURE: 3525800 -110.991 -16.0468 135.815 -16.0465 -279.354 140.64 135.815 140.64 -41.7956 GPRESSURE: 3525800 -73.8294 -110.202 87.2609 26.8837 -239.909 190.321 144.35 145.487 -31.4574 PRESSAVG: 3525800 21.9941 34.6485 21.2201 34.6485 -8.25031 -25.45 21.2201 -25.45 -33.7609 GPRESSAVG: 3525800 22.5221 36.5993 21.7219 35.2406 -9.12644 -24.3775 20.9097 -26.4027 -33.8677 TIMING: 3525800 CPU: 10611.4, 0.00296037/step Wall: 10611.4, 0.00296037/step, 1.21227 hours remaining, 210.746094 MB of memory in use. ENERGY: 3525800 786.9469 2068.7646 1907.5407 99.4292 -206291.3324 17771.5068 0.0000 0.0000 34546.1419 -149111.0024 301.7000 -183657.1443 -149010.5038 300.4663 -144.0470 -115.0653 559331.3688 -6.6724 -6.8240 PRESSURE: 3526000 25.5661 -168.786 45.1789 -168.787 -4.10133 -122.777 45.1777 -122.778 -149.239 GPRESSURE: 3526000 26.718 -204.932 95.7357 -111.15 54.9613 -48.5844 45.415 -158.957 -117.493 PRESSAVG: 3526000 33.7161 37.0221 61.9912 37.022 -17.8998 53.9944 61.9913 53.9943 -13.1018 GPRESSAVG: 3526000 33.452 35.7702 62.97 37.2859 -17.6473 54.1545 63.46 53.5689 -13.0143 TIMING: 3526000 CPU: 10612, 0.00298483/step Wall: 10612, 0.00298483/step, 1.22212 hours remaining, 210.746094 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: 3526000 746.8915 2113.8342 1934.3730 114.5617 -206069.6314 17815.6913 0.0000 0.0000 34293.4720 -149050.8078 299.4934 -183344.2798 -148955.5083 300.3576 -42.5915 -11.9378 558714.0162 0.9048 0.9301 PRESSURE: 3526200 -148.041 31.3897 -54.5357 31.3891 -67.4521 -33.6089 -54.5347 -33.6089 207.739 GPRESSURE: 3526200 -114.816 12.6691 -63.5594 10.8832 3.64419 -36.8839 -100.894 75.0393 195.344 PRESSAVG: 3526200 1.85166 0.783633 -8.64666 0.783631 67.1977 47.7971 -8.64666 47.797 -28.1823 GPRESSAVG: 3526200 0.924163 2.57102 -9.43337 0.923131 67.0647 47.5873 -11.2069 48.1666 -26.9481 TIMING: 3526200 CPU: 10612.6, 0.00303244/step Wall: 10612.6, 0.00303244/step, 1.24145 hours remaining, 210.746094 MB of memory in use. ENERGY: 3526200 748.6813 2092.6220 1920.0867 110.7506 -206101.7980 17817.2401 0.0000 0.0000 34237.2677 -149175.1497 299.0026 -183412.4173 -149082.2292 300.3186 -2.5847 28.0575 556522.6417 13.6224 13.6803 PRESSURE: 3526400 -11.8168 149.094 94.7542 149.094 -17.0001 -43.727 94.7536 -43.7253 -73.7057 GPRESSURE: 3526400 27.1197 121.68 138.045 180.422 51.6951 72.73 20.5495 -89.4537 -59.7265 PRESSAVG: 3526400 -26.9424 -22.5236 7.46631 -22.5237 -11.5486 -16.0528 7.46627 -16.0528 9.19546 GPRESSAVG: 3526400 -25.8244 -23.3556 6.34168 -23.3024 -10.4854 -17.7199 9.53618 -16.1444 7.41469 TIMING: 3526400 CPU: 10613.2, 0.00299357/step Wall: 10613.2, 0.00299357/step, 1.22537 hours remaining, 210.746094 MB of memory in use. ENERGY: 3526400 722.7674 2029.9469 1942.7847 99.9924 -206166.6346 17825.7772 0.0000 0.0000 34191.2976 -149354.0684 298.6011 -183545.3661 -149259.1298 298.6025 -34.1742 6.3628 557836.9217 -9.7652 -9.6317 PRESSURE: 3526600 -12.0336 26.833 -140.361 26.8344 70.6378 97.412 -140.36 97.4109 -143.68 GPRESSURE: 3526600 -28.1306 24.3033 -219.096 75.4058 90.3975 48.7646 -159.6 139.275 -47.7958 PRESSAVG: 3526600 -25.4749 33.8831 -7.95125 33.8831 56.6882 -28.7277 -7.95108 -28.7277 -18.5363 GPRESSAVG: 3526600 -26.7394 37.21 -6.72872 32.6744 56.3966 -27.5983 -8.68365 -28.88 -17.5012 TIMING: 3526600 CPU: 10613.8, 0.00295868/step Wall: 10613.8, 0.00295868/step, 1.21092 hours remaining, 210.746094 MB of memory in use. ENERGY: 3526600 731.3101 2105.8069 1954.7812 117.5959 -206259.6810 17772.7022 0.0000 0.0000 34369.2160 -149208.2687 300.1549 -183577.4847 -149107.5371 298.7899 -28.3587 4.8237 557475.3225 4.2257 4.0520 PRESSURE: 3526800 155.583 17.2222 46.4481 17.2219 -96.0962 8.50791 46.4478 8.50776 32.7746 GPRESSURE: 3526800 170.893 31.5786 119.352 2.21675 -55.1472 31.4641 19.3182 71.9221 82.1611 PRESSAVG: 3526800 12.4608 -14.4455 5.94952 -14.4455 -46.245 -56.6888 5.94948 -56.6888 50.5676 GPRESSAVG: 3526800 13.661 -16.7451 6.95637 -14.0144 -46.5223 -57.7199 6.26645 -56.3976 49.8383 TIMING: 3526800 CPU: 10614.4, 0.00296417/step Wall: 10614.4, 0.00296417/step, 1.21301 hours remaining, 210.746094 MB of memory in use. ENERGY: 3526800 718.3460 2112.4027 1963.9114 109.2575 -206051.4946 17748.8037 0.0000 0.0000 34156.0280 -149242.7452 298.2931 -183398.7732 -149146.6327 299.1084 30.7539 65.9689 557044.3781 5.5945 5.6590 PRESSURE: 3527000 63.2094 -56.7059 -50.9494 -56.7061 156.812 2.94016 -50.9496 2.94043 151.18 GPRESSURE: 3527000 66.3803 -39.3922 -23.3263 -32.753 213.684 -79.2534 -31.742 93.4055 190.435 PRESSAVG: 3527000 28.4577 -11.3159 7.61902 -11.3158 -48.5566 11.0035 7.61901 11.0034 37.571 GPRESSAVG: 3527000 28.2435 -11.0903 6.2834 -9.06486 -49.4448 12.1896 9.56404 9.68651 38.517 TIMING: 3527000 CPU: 10615, 0.00296412/step Wall: 10615, 0.00296412/step, 1.21282 hours remaining, 210.949219 MB of memory in use. ENERGY: 3527000 683.2706 2116.8918 1930.1431 118.5109 -206391.1428 17973.2768 0.0000 0.0000 34110.3992 -149458.6504 297.8946 -183569.0496 -149361.3161 298.6744 123.7337 156.8330 556886.0255 5.8240 5.7719 PRESSURE: 3527200 -13.1037 -196.899 34.95 -196.899 181.115 73.9077 34.95 73.9073 3.40003 GPRESSURE: 3527200 113.95 -195.687 16.6925 -220 135.086 84.4368 83.1701 -29.951 24.8919 PRESSAVG: 3527200 0.0116765 -10.703 -3.93339 -10.703 -37.6648 32.9251 -3.93346 32.925 51.3509 GPRESSAVG: 3527200 1.07203 -10.7883 -3.98384 -12.155 -38.3564 30.7695 -5.79467 34.015 51.4701 TIMING: 3527200 CPU: 10615.6, 0.00295405/step Wall: 10615.6, 0.00295405/step, 1.20854 hours remaining, 210.949219 MB of memory in use. ENERGY: 3527200 711.5398 2106.9220 1909.2604 119.9378 -206071.4955 17817.9279 0.0000 0.0000 34200.2473 -149205.6603 298.6793 -183405.9076 -149105.1829 298.8314 57.1370 91.3091 557670.5161 4.5659 4.7286 PRESSURE: 3527400 17.2253 96.0706 -12.0382 96.0701 -221.265 -63.8273 -12.04 -63.8287 -136.097 GPRESSURE: 3527400 63.568 139.922 -38.7038 95.3744 -204.953 -1.97138 -128.519 -155.749 -100.057 PRESSAVG: 3527400 -18.8321 8.15119 -65.4419 8.15112 -25.1286 -2.02514 -65.4419 -2.02508 36.8004 GPRESSAVG: 3527400 -19.7984 9.81116 -63.9117 5.83191 -23.764 -0.568567 -64.2501 -3.42648 36.2892 TIMING: 3527400 CPU: 10616.1, 0.00297497/step Wall: 10616.1, 0.00297497/step, 1.21693 hours remaining, 210.949219 MB of memory in use. ENERGY: 3527400 745.7750 2085.5766 1922.0068 105.6784 -205829.9792 17495.2862 0.0000 0.0000 34355.8165 -149119.8396 300.0379 -183475.6561 -149021.6259 298.9547 -113.3790 -80.4805 558732.5119 -2.3868 -2.4244 PRESSURE: 3527600 -39.847 -188.533 -24.2406 -188.533 -169.372 -27.2472 -24.2409 -27.2472 170.46 GPRESSURE: 3527600 18.9749 -164.682 -22.7062 -180.817 -127.316 -54.9454 -8.04242 -42.03 167.204 PRESSAVG: 3527600 34.8377 -18.7966 2.35507 -18.7966 37.7771 12.7201 2.35505 12.7201 -49.07 GPRESSAVG: 3527600 35.3018 -19.7948 2.55687 -16.0128 36.8183 13.4185 0.404419 13.7847 -48.6603 TIMING: 3527600 CPU: 10616.7, 0.00300957/step Wall: 10616.7, 0.00300957/step, 1.23092 hours remaining, 210.949219 MB of memory in use. ENERGY: 3527600 752.6751 2050.3540 1955.1213 114.5246 -206457.8128 17983.9914 0.0000 0.0000 34445.3983 -149155.7481 300.8202 -183601.1464 -149066.0033 300.3062 -12.9199 19.6211 557602.0905 7.8483 7.8199 PRESSURE: 3527800 144.971 112.027 125.612 112.026 45.6844 16.197 125.612 16.1981 -154.763 GPRESSURE: 3527800 132.012 119.914 63.1649 98.4344 131.375 15.0375 142.162 29.3992 -119.464 PRESSAVG: 3527800 30.512 -19.2057 -24.6808 -19.2057 -33.7698 9.02129 -24.6808 9.02134 16.7543 GPRESSAVG: 3527800 29.4446 -18.988 -25.8653 -18.0375 -32.2676 8.86737 -25.1625 8.87392 16.2367 TIMING: 3527800 CPU: 10617.3, 0.00298856/step Wall: 10617.3, 0.00298856/step, 1.22216 hours remaining, 210.949219 MB of memory in use. ENERGY: 3527800 763.3702 2017.4666 1960.5542 97.8887 -206633.9587 18064.9419 0.0000 0.0000 34541.1868 -149188.5503 301.6568 -183729.7371 -149096.6136 299.8158 11.9641 47.9745 557372.9127 4.4989 4.4712 PRESSURE: 3528000 210.671 -160.388 -18.211 -160.389 -7.67148 59.5775 -18.2123 59.5778 91.8634 GPRESSURE: 3528000 223.916 -115.836 70.3408 -138.561 24.4612 64.4347 -18.999 56.6919 128.533 PRESSAVG: 3528000 -29.7315 14.6784 -1.6684 14.6784 -26.264 -17.9352 -1.66839 -17.9352 15.6261 GPRESSAVG: 3528000 -28.2552 15.0555 -2.93336 14.2676 -28.2645 -17.7476 -1.4846 -19.0066 15.6425 TIMING: 3528000 CPU: 10617.9, 0.00295914/step Wall: 10617.9, 0.00295914/step, 1.20996 hours remaining, 210.949219 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: 3528000 695.2581 2054.9543 1961.5809 108.7491 -206002.4662 17811.3163 0.0000 0.0000 34280.0726 -149090.5350 299.3764 -183370.6076 -148998.5099 299.2791 98.2878 125.6370 558183.0177 -13.4565 -13.6257 PRESSURE: 3528200 88.6367 -155.508 -11.5582 -155.506 -84.7525 85.0714 -11.5581 85.0707 -48.6974 GPRESSURE: 3528200 115.714 -163.395 10.3428 -87.5914 -19.7412 103.495 -3.82504 59.8886 -36.8118 PRESSAVG: 3528200 -12.7442 -10.84 46.1071 -10.84 -10.6827 10.2857 46.1072 10.2857 52.8616 GPRESSAVG: 3528200 -13.6195 -11.5538 48.5873 -12.209 -10.0543 8.79708 46.2189 11.3229 53.1839 TIMING: 3528200 CPU: 10618.5, 0.00298543/step Wall: 10618.5, 0.00298543/step, 1.22054 hours remaining, 210.949219 MB of memory in use. ENERGY: 3528200 720.7290 2066.1688 1937.5419 103.1803 -206103.6635 17804.7426 0.0000 0.0000 34459.5133 -149011.7876 300.9435 -183471.3009 -148907.5058 299.1552 -14.9377 19.7204 559098.7013 9.8116 9.8367 LDB: ============= START OF LOAD BALANCING ============== 10622.1 LDB: ============== END OF LOAD BALANCING =============== 10622.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10622.1 LDB: ============= START OF LOAD BALANCING ============== 10622.4 LDB: Largest compute 4802 load 0.028883 is 24.4% of average load 0.118153 LDB: Average compute 0.001721 is 1.5% of average load 0.118153 LDB: TIME 10622.4 LOAD: AVG 0.118153 MAX 0.202766 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.812 MB LDB: TIME 10622.4 LOAD: AVG 0.118153 MAX 0.202766 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.812 MB LDB: TIME 10622.4 LOAD: AVG 0.118153 MAX 0.202766 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.812 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10622.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10622.4 PRESSURE: 3528400 -72.0814 -120.466 -20.5802 -120.464 -134.918 -76.7605 -20.5798 -76.7604 -236.788 GPRESSURE: 3528400 4.21033 -131.237 -15.1559 -87.2985 -136.814 -49.15 -37.178 -86.7852 -211.453 PRESSAVG: 3528400 51.4884 -31.6016 32.7742 -31.6016 -47.2386 8.4148 32.7742 8.41485 -42.2408 GPRESSAVG: 3528400 52.2298 -31.5088 29.7497 -29.6771 -48.1149 8.44922 34.1099 7.90871 -42.5892 TIMING: 3528400 CPU: 10619.1, 0.00304356/step Wall: 10619.1, 0.00304356/step, 1.24414 hours remaining, 210.480469 MB of memory in use. ENERGY: 3528400 734.4054 2065.1845 1926.4712 106.3230 -205753.7236 17655.7037 0.0000 0.0000 34146.1334 -149119.5023 298.2067 -183265.6358 -149023.8288 299.3632 -147.9291 -114.6857 559268.9129 -12.6637 -12.8248 PRESSURE: 3528600 -175.187 -79.9991 -240.957 -79.9994 -60.3819 62.8975 -240.955 62.8989 253.766 GPRESSURE: 3528600 -172.715 -164.65 -213.667 68.2087 -4.16395 100.538 -234.481 90.2021 293.524 PRESSAVG: 3528600 -8.10715 37.6736 -46.5979 37.6736 3.89577 -38.638 -46.5979 -38.6381 10.6608 GPRESSAVG: 3528600 -8.03705 35.7742 -45.1436 37.2841 4.03105 -38.615 -46.6539 -38.7587 10.4802 TIMING: 3528600 CPU: 10619.7, 0.00299467/step Wall: 10619.7, 0.00299467/step, 1.22399 hours remaining, 210.550781 MB of memory in use. ENERGY: 3528600 738.0782 2088.9956 1943.5464 107.5469 -206119.5251 17839.4155 0.0000 0.0000 34302.3924 -149099.5501 299.5713 -183401.9425 -148999.7753 299.9520 6.0656 38.8815 559025.2090 2.1498 2.1581 PRESSURE: 3528800 24.2442 90.738 46.9302 90.7371 -71.5694 -223.699 46.9307 -223.699 121.848 GPRESSURE: 3528800 57.5656 78.9501 -29.379 96.1573 -47.4716 -171.281 101.183 -189.741 152.214 PRESSAVG: 3528800 -14.9829 -2.63638 -53.4605 -2.63641 -14.87 -50.5818 -53.4604 -50.5817 33.6003 GPRESSAVG: 3528800 -15.0061 -2.03823 -54.877 -3.21025 -15.6696 -49.1255 -53.3196 -50.0688 34.3632 TIMING: 3528800 CPU: 10620.3, 0.00296562/step Wall: 10620.3, 0.00296562/step, 1.21195 hours remaining, 210.550781 MB of memory in use. ENERGY: 3528800 742.2025 2095.5286 1922.1017 115.3945 -206280.5754 17937.0324 0.0000 0.0000 34510.0484 -148958.2672 301.3848 -183468.3157 -148855.4465 300.3438 24.8408 54.1025 557167.4916 1.2491 1.2292 PRESSURE: 3529000 -92.4978 -185.478 -55.8676 -185.479 -73.6277 29.9899 -55.8675 29.9898 -136.636 GPRESSURE: 3529000 -31.7476 -159.05 -82.1921 -142.195 -37.2813 36.99 -21.0577 -2.70859 -135.903 PRESSAVG: 3529000 48.2855 -12.3595 -36.3919 -12.3595 -81.7325 -38.8747 -36.3918 -38.8746 88.5268 GPRESSAVG: 3529000 47.9226 -10.602 -34.5607 -12.6261 -80.5134 -39.6403 -37.8772 -40.4739 87.3827 TIMING: 3529000 CPU: 10620.9, 0.00295248/step Wall: 10620.9, 0.00295248/step, 1.20642 hours remaining, 210.550781 MB of memory in use. ENERGY: 3529000 773.8865 2113.0725 1970.5561 108.1152 -206244.1513 17857.4437 0.0000 0.0000 34439.2333 -148981.8440 300.7664 -183421.0773 -148879.1495 299.8820 -100.9204 -68.3108 556946.7567 18.3599 18.2640 PRESSURE: 3529200 -219.758 73.982 -66.4517 73.9826 95.7142 -88.7505 -66.4517 -88.7519 23.6007 GPRESSURE: 3529200 -154.525 2.25428 -43.2622 106.046 134.554 -74.4192 -100.355 -134.52 19.0969 PRESSAVG: 3529200 -28.0652 -2.45661 -17.7993 -2.45652 14.6026 -22.6203 -17.7993 -22.6203 20.1581 GPRESSAVG: 3529200 -28.0113 -3.62619 -18.5378 -2.25811 14.6925 -20.6768 -15.4631 -22.8079 20.328 TIMING: 3529200 CPU: 10621.5, 0.00297349/step Wall: 10621.5, 0.00297349/step, 1.21484 hours remaining, 210.550781 MB of memory in use. ENERGY: 3529200 701.6878 2091.2202 1947.1236 125.4165 -206100.3648 17729.7873 0.0000 0.0000 34530.0869 -148975.0426 301.5598 -183505.1294 -148874.0879 300.4136 -33.4811 -0.2913 558105.2161 2.2318 2.3364 PRESSURE: 3529400 -0.763926 61.9122 37.5894 61.9125 -21.5873 -4.64736 37.5911 -4.64853 9.67524 GPRESSURE: 3529400 -11.6818 85.518 34.9414 68.6261 26.0874 51.8115 -1.08173 -50.5593 75.0205 PRESSAVG: 3529400 84.329 20.816 -21.4417 20.816 -99.0453 -0.48297 -21.4418 -0.483017 42.4011 GPRESSAVG: 3529400 84.9651 20.7544 -22.6028 20.9758 -98.8519 -2.62479 -23.2985 0.717872 41.7973 TIMING: 3529400 CPU: 10622.1, 0.00298491/step Wall: 10622.1, 0.00298491/step, 1.21934 hours remaining, 210.550781 MB of memory in use. ENERGY: 3529400 726.5134 2079.6647 1926.9170 122.3799 -205899.7514 17738.9236 0.0000 0.0000 34431.4896 -148873.8632 300.6988 -183305.3529 -148780.5001 300.2701 -4.2253 29.8087 556988.3691 9.2283 9.3035 PRESSURE: 3529600 -125.26 -6.41935 -15.4154 -6.41931 -195.263 58.2356 -15.4155 58.2353 -204.1 GPRESSURE: 3529600 -131.834 -9.90129 -19.6494 -22.4868 -162.166 -31.2771 -55.3111 8.7016 -124.526 PRESSAVG: 3529600 38.564 -11.2577 9.66833 -11.2577 -18.6425 -7.42799 9.66828 -7.42803 -7.17027 GPRESSAVG: 3529600 37.4963 -11.9298 8.94579 -9.59507 -18.5606 -7.60232 11.8386 -7.11907 -5.96032 TIMING: 3529600 CPU: 10622.7, 0.0029668/step Wall: 10622.7, 0.0029668/step, 1.21177 hours remaining, 210.753906 MB of memory in use. ENERGY: 3529600 703.2318 2113.9817 1969.5010 114.2574 -205434.7620 17361.8365 0.0000 0.0000 34173.9760 -148997.9774 298.4498 -183171.9535 -148901.7744 300.3189 -174.8740 -139.5085 557530.3501 4.2504 4.3251 PRESSURE: 3529800 -283.047 145.864 -227.012 145.864 -91.1482 14.9577 -227.013 14.9562 -53.7666 GPRESSURE: 3529800 -255.259 102.834 -154.218 175.533 -33.9772 21.743 -266.73 10.2447 -39.2313 PRESSAVG: 3529800 -10.8332 -7.89359 -20.1294 -7.89357 14.2557 -24.8838 -20.1294 -24.8839 -32.3169 GPRESSAVG: 3529800 -9.85573 -6.2488 -20.0204 -9.26443 14.2765 -25.0933 -21.5667 -25.0094 -33.1984 TIMING: 3529800 CPU: 10623.3, 0.00298042/step Wall: 10623.3, 0.00298042/step, 1.21717 hours remaining, 210.753906 MB of memory in use. ENERGY: 3529800 745.7336 2069.5874 1960.0179 104.3809 -205674.2973 17594.9657 0.0000 0.0000 34256.6540 -148942.9578 299.1719 -183199.6118 -148843.6977 299.6108 -142.6541 -109.4891 557689.8263 -9.6314 -9.5926 PRESSURE: 3530000 -11.9839 -148.451 -25.6985 -148.453 -159.585 -100.537 -25.6976 -100.536 9.97 GPRESSURE: 3530000 41.8376 -166.338 107.952 -101.541 -147.611 -136.889 -75.2667 -115.587 44.4432 PRESSAVG: 3530000 8.70961 -27.0326 11.9918 -27.0327 90.3656 -10.0044 11.9918 -10.0043 -51.3386 GPRESSAVG: 3530000 7.59667 -27.0087 12.4054 -27.9922 91.1602 -10.0153 14.043 -10.643 -51.0076 TIMING: 3530000 CPU: 10623.9, 0.00300809/step Wall: 10623.9, 0.00300809/step, 1.2283 hours remaining, 210.753906 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: 3530000 770.2107 2079.4761 1963.8396 110.1012 -205915.9713 17624.0241 0.0000 0.0000 34270.4605 -149097.8592 299.2925 -183368.3197 -148997.1254 299.7070 -53.8662 -20.4433 558858.9990 15.9122 15.9164 PRESSURE: 3530200 -162.486 -113.303 15.7229 -113.304 178.426 112.068 15.7225 112.068 375.116 GPRESSURE: 3530200 -45.9599 -63.1887 13.344 -78.3795 106.301 50.2546 -17.7564 109.198 435.658 PRESSAVG: 3530200 -29.2899 -31.3474 66.8458 -31.3474 -43.1904 -47.7183 66.8458 -47.7183 75.8922 GPRESSAVG: 3530200 -26.3069 -31.5149 69.2144 -31.0258 -45.3637 -47.1499 62.7992 -49.1473 74.7094 TIMING: 3530200 CPU: 10624.5, 0.00299734/step Wall: 10624.5, 0.00299734/step, 1.22375 hours remaining, 210.753906 MB of memory in use. ENERGY: 3530200 737.6402 2084.6014 1923.8710 102.5557 -206369.2094 18026.6228 0.0000 0.0000 34298.4574 -149195.4609 299.5370 -183493.9183 -149097.8041 299.4802 130.3519 165.3330 556601.8644 1.1373 1.0130 PRESSURE: 3530400 175.267 -47.6491 -107.536 -47.648 258.607 140.485 -107.535 140.486 108.987 GPRESSURE: 3530400 251.671 24.8521 -32.1799 -97.4276 218.823 81.4576 -100.565 127.28 170.907 PRESSAVG: 3530400 -6.82274 -30.295 9.53035 -30.295 4.27811 -28.1707 9.53034 -28.1707 19.0411 GPRESSAVG: 3530400 -6.82947 -32.3207 8.32977 -30.7504 5.279 -30.704 10.4485 -26.7615 17.8796 TIMING: 3530400 CPU: 10625.1, 0.00297926/step Wall: 10625.1, 0.00297926/step, 1.2162 hours remaining, 210.753906 MB of memory in use. ENERGY: 3530400 725.0795 2100.2604 1938.1298 112.6120 -206495.6704 18132.6007 0.0000 0.0000 34370.1702 -149116.8178 300.1632 -183486.9880 -149019.7012 300.1051 180.9535 213.8004 557134.0879 5.4988 5.4431 PRESSURE: 3530600 -204.777 6.32052 -9.58635 6.3215 -138.929 -21.9977 -9.58725 -21.9962 -147.441 GPRESSURE: 3530600 -161.21 -18.9226 -3.53505 -21.6787 -158.616 -44.7032 -37.5461 -10.9674 -81.3583 PRESSAVG: 3530600 -91.9705 -29.2752 -22.5497 -29.2752 99.395 61.9455 -22.5497 61.9456 -26.4068 GPRESSAVG: 3530600 -93.9631 -28.971 -23.3951 -27.031 100.597 64.9998 -22.2467 60.7459 -25.6195 TIMING: 3530600 CPU: 10625.7, 0.00298835/step Wall: 10625.7, 0.00298835/step, 1.21975 hours remaining, 210.753906 MB of memory in use. ENERGY: 3530600 749.3573 2087.8073 1926.5013 119.1550 -205928.5267 17420.3084 0.0000 0.0000 34268.9032 -149356.4943 299.2789 -183625.3975 -149252.8566 299.6695 -163.7158 -133.7280 557841.2529 -6.3274 -6.3287 PRESSURE: 3530800 599.569 -86.1845 36.5311 -86.1838 46.0092 -117.215 36.532 -117.214 229.386 GPRESSURE: 3530800 602.658 -132.846 16.0758 -76.6093 59.6345 -26.1628 45.0747 -130.601 302.281 PRESSAVG: 3530800 1.21125 -22.4023 -1.50187 -22.4023 53.2822 -15.3763 -1.5017 -15.3763 -25.5961 GPRESSAVG: 3530800 0.436115 -20.7266 -1.5571 -24.3107 53.0566 -17.2625 -0.276781 -13.25 -25.2644 TIMING: 3530800 CPU: 10626.3, 0.00298451/step Wall: 10626.3, 0.00298451/step, 1.21801 hours remaining, 210.753906 MB of memory in use. ENERGY: 3530800 754.7420 2116.6997 1955.5563 108.4394 -206771.2182 18170.1851 0.0000 0.0000 34223.0358 -149442.5599 298.8783 -183665.5957 -149352.1769 298.2164 291.6549 321.5246 555679.5257 9.6325 9.4094 PRESSURE: 3531000 -109.199 89.4987 112.719 89.4988 -25.4897 31.9132 112.72 31.9134 -171.469 GPRESSURE: 3531000 -89.0047 56.891 91.6899 81.7282 -24.7755 68.636 43.7371 28.5599 -96.7358 PRESSAVG: 3531000 29.6856 -54.8889 19.7721 -54.8889 -2.52729 22.9444 19.7721 22.9444 -1.02224 GPRESSAVG: 3531000 31.3643 -58.6513 21.1428 -53.5351 -3.59224 23.7321 19.3574 20.5041 -1.93499 TIMING: 3531000 CPU: 10626.9, 0.00297869/step Wall: 10626.9, 0.00297869/step, 1.21547 hours remaining, 210.753906 MB of memory in use. ENERGY: 3531000 765.9425 2140.1934 1930.8940 121.1383 -206621.0605 17855.0621 0.0000 0.0000 34223.4113 -149584.4188 298.8816 -183807.8301 -149489.0380 298.7803 -102.0525 -70.1720 557034.9340 8.7120 8.6123 PRESSURE: 3531200 9.34102 -41.6316 -182.186 -41.6317 352.813 -157.832 -182.186 -157.833 113.649 GPRESSURE: 3531200 74.7058 -116.112 -229.579 16.4267 381.427 -163.728 -197.597 -111.151 121.258 PRESSAVG: 3531200 17.6392 1.44698 -10.0799 1.44689 -19.5289 -15.446 -10.0799 -15.446 -2.60419 GPRESSAVG: 3531200 17.1263 2.57651 -9.63339 1.65841 -20.179 -14.5311 -10.6157 -13.502 -2.10088 TIMING: 3531200 CPU: 10627.5, 0.00299046/step Wall: 10627.5, 0.00299046/step, 1.22011 hours remaining, 210.753906 MB of memory in use. ENERGY: 3531200 728.9852 2042.7162 1939.7150 126.8926 -206739.9967 18118.3551 0.0000 0.0000 34182.1841 -149601.1485 298.5215 -183783.3326 -149506.4694 298.4022 158.6009 192.4634 556356.1721 -1.4980 -1.7179 PRESSURE: 3531400 65.9045 220.117 -118.006 220.118 -363.78 -2.65979 -118.006 -2.65974 -90.4978 GPRESSURE: 3531400 122.089 236.914 -88.0262 118.998 -396.57 -18.6008 -109.636 1.09071 -12.4831 PRESSAVG: 3531400 81.2362 -15.8465 -25.7485 -15.8464 -54.3457 7.14117 -25.7485 7.14118 13.6613 GPRESSAVG: 3531400 80.3171 -14.1588 -27.2131 -17.731 -52.7762 4.11363 -27.1586 8.54655 12.943 TIMING: 3531400 CPU: 10628.1, 0.00301001/step Wall: 10628.1, 0.00301001/step, 1.22792 hours remaining, 210.753906 MB of memory in use. ENERGY: 3531400 744.1663 2141.7326 1970.8073 119.4937 -206474.1130 17892.4839 0.0000 0.0000 33998.2694 -149607.1598 296.9153 -183605.4292 -149510.2714 298.3712 -129.4578 -95.6548 556519.8498 13.5173 13.4947 PRESSURE: 3531600 -258.112 -19.3457 -31.3341 -19.3454 55.0025 -17.3728 -31.3348 -17.3737 -160.485 GPRESSURE: 3531600 -209.978 -17.1339 -26.8474 16.3279 40.6256 -16.5093 17.8953 -17.0091 -99.0844 PRESSAVG: 3531600 83.2292 28.1217 -20.514 28.1217 -55.0155 91.0795 -20.514 91.0794 -49.0909 GPRESSAVG: 3531600 83.4976 28.2549 -21.8683 27.6901 -54.6361 92.8082 -18.2785 89.0512 -49.8009 TIMING: 3531600 CPU: 10628.7, 0.00299934/step Wall: 10628.7, 0.00299934/step, 1.2234 hours remaining, 210.753906 MB of memory in use. ENERGY: 3531600 752.1637 2048.4406 1959.4059 113.0905 -206218.3812 17498.4125 0.0000 0.0000 34138.4323 -149708.4357 298.1394 -183846.8680 -149622.6136 297.7419 -121.1984 -89.4788 554728.9572 -6.9590 -6.9798 PRESSURE: 3531800 -267.178 108.445 -52.1221 108.444 264.904 -62.9447 -52.1204 -62.9454 115.688 GPRESSURE: 3531800 -256.841 95.757 -36.9283 163.647 297.535 -14.622 -107.297 -30.5709 171.32 PRESSAVG: 3531800 9.50257 51.4993 -41.9407 51.4993 26.4106 24.0725 -41.9407 24.0725 -32.8312 GPRESSAVG: 3531800 8.93604 49.2299 -42.2012 52.6549 25.6006 24.9533 -41.3449 23.6695 -32.2778 TIMING: 3531800 CPU: 10629.3, 0.00298153/step Wall: 10629.3, 0.00298153/step, 1.21597 hours remaining, 210.957031 MB of memory in use. ENERGY: 3531800 749.0103 2049.3211 1932.4835 120.4605 -206478.6325 17800.6358 0.0000 0.0000 34141.6743 -149685.0469 298.1677 -183826.7212 -149580.8785 298.1145 37.8045 70.6717 555780.1755 1.0273 0.7529 PRESSURE: 3532000 105.526 -55.376 191.366 -55.3751 54.8466 -64.7557 191.366 -64.7552 40.9474 GPRESSURE: 3532000 184.812 -83.0499 190.663 -16.4851 84.193 -30.4653 142.603 -70.7526 15.8402 PRESSAVG: 3532000 -0.252624 -30.3078 -31.2795 -30.3077 18.1391 -17.0874 -31.2794 -17.0874 -52.5718 GPRESSAVG: 3532000 0.318756 -30.1939 -30.7146 -29.8704 17.4347 -19.2729 -31.9504 -15.934 -52.4574 TIMING: 3532000 CPU: 10629.9, 0.00297312/step Wall: 10629.9, 0.00297312/step, 1.21237 hours remaining, 210.957031 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: 3532000 778.0599 2097.9684 1927.7854 106.7423 -206518.8399 17833.6383 0.0000 0.0000 34104.5485 -149670.0970 297.8435 -183774.6456 -149581.8085 297.7865 67.1066 94.9483 554130.6940 -11.5618 -11.5680 PRESSURE: 3532200 -133.073 118.031 -31.8716 118.03 -338.185 53.5121 -31.8703 53.5109 132.597 GPRESSURE: 3532200 -101.42 119.622 -62.9608 1.46591 -296.131 -22.1186 -19.3141 -29.2079 167.324 PRESSAVG: 3532200 28.0543 29.7934 -44.4772 29.7934 -8.08175 -18.9039 -44.4772 -18.904 7.36394 GPRESSAVG: 3532200 26.8246 29.8366 -45.063 29.1717 -7.49856 -19.2119 -44.8929 -17.859 8.41163 TIMING: 3532200 CPU: 10630.5, 0.00294598/step Wall: 10630.5, 0.00294598/step, 1.20114 hours remaining, 210.957031 MB of memory in use. ENERGY: 3532200 737.0923 2052.2605 1939.2149 98.3182 -206396.6711 17689.8778 0.0000 0.0000 34195.4518 -149684.4556 298.6374 -183879.9074 -149584.0529 298.2427 -112.8869 -76.7424 556259.3710 9.1122 9.2459 LDB: ============= START OF LOAD BALANCING ============== 10634 LDB: ============== END OF LOAD BALANCING =============== 10634 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10634 LDB: ============= START OF LOAD BALANCING ============== 10634.3 LDB: Largest compute 4802 load 0.030049 is 25.4% of average load 0.118189 LDB: Average compute 0.001718 is 1.5% of average load 0.118189 LDB: TIME 10634.3 LOAD: AVG 0.118189 MAX 0.206188 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209 MB LDB: TIME 10634.3 LOAD: AVG 0.118189 MAX 0.206188 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209 MB LDB: TIME 10634.3 LOAD: AVG 0.118189 MAX 0.206188 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10634.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10634.3 PRESSURE: 3532400 -49.7114 3.01154 20.7495 3.01156 72.7037 152.55 20.7488 152.551 -50.0631 GPRESSURE: 3532400 0.751939 10.769 46.4953 -2.8456 96.3186 124.969 -9.34386 100.867 -27.5352 PRESSAVG: 3532400 -4.11853 -42.6107 41.1274 -42.6106 -31.8977 87.3369 41.1275 87.3368 61.6134 GPRESSAVG: 3532400 -2.96363 -41.472 42.9464 -42.2694 -32.4997 87.3119 42.2573 85.5752 60.6759 TIMING: 3532400 CPU: 10631.1, 0.00301564/step Wall: 10631.1, 0.00301564/step, 1.22937 hours remaining, 210.300781 MB of memory in use. ENERGY: 3532400 773.4247 2100.9011 1919.1730 113.9968 -206610.0327 17830.7933 0.0000 0.0000 34388.6001 -149483.1436 300.3242 -183871.7438 -149386.3706 298.7701 -9.0236 23.1784 555728.9651 8.5324 8.4042 PRESSURE: 3532600 187.102 8.16944 -123.507 8.1692 -7.69208 -49.2231 -123.508 -49.2231 332.558 GPRESSURE: 3532600 187.263 103.982 -105.139 28.1055 48.9561 -74.9955 -69.2606 -4.91007 367.368 PRESSAVG: 3532600 -79.0322 54.8453 51.312 54.8453 -2.79355 16.339 51.312 16.3391 86.3044 GPRESSAVG: 3532600 -78.8146 53.1665 51.7786 55.1377 -1.5602 16.6115 50.4386 17.5964 84.499 TIMING: 3532600 CPU: 10631.7, 0.0029601/step Wall: 10631.7, 0.0029601/step, 1.20657 hours remaining, 210.503906 MB of memory in use. ENERGY: 3532600 718.8808 2069.3754 1940.0451 123.1963 -206426.4247 17944.5256 0.0000 0.0000 34145.5860 -149484.8154 298.2019 -183630.4014 -149396.1707 298.4975 170.6561 201.1954 555799.0067 1.4929 1.3747 PRESSURE: 3532800 58.634 -62.3509 22.61 -62.3498 -29.3334 44.44 22.6108 44.4411 -85.3337 GPRESSURE: 3532800 153.145 -77.0076 3.59588 -56.988 -5.89962 77.5234 25.4792 47.8036 -91.1072 PRESSAVG: 3532800 -1.98615 -8.67824 1.68909 -8.67817 -65.4056 53.831 1.68909 53.831 47.5684 GPRESSAVG: 3532800 -1.37072 -5.32573 1.86159 -10.2643 -65.0507 53.6824 0.992099 53.5041 46.7436 TIMING: 3532800 CPU: 10632.3, 0.00297895/step Wall: 10632.3, 0.00297895/step, 1.21409 hours remaining, 210.503906 MB of memory in use. ENERGY: 3532800 738.3876 2061.1607 1915.9487 123.1890 -206609.8222 17873.3073 0.0000 0.0000 34351.2134 -149546.6155 299.9977 -183897.8289 -149447.9424 298.5439 -18.6777 18.7129 555778.8973 -6.6078 -6.5593 PRESSURE: 3533000 -101.234 -22.6685 -99.6449 -22.6679 11.7818 19.4875 -99.6441 19.4863 -159.009 GPRESSURE: 3533000 -59.6027 -41.8631 -65.5101 -21.288 42.0946 -0.987016 -111.209 83.3451 -144.807 PRESSAVG: 3533000 54.6192 49.6102 -59.0156 49.6102 6.45591 27.4597 -59.0156 27.4597 -30.0956 GPRESSAVG: 3533000 52.4819 45.3896 -59.55 50.8135 7.31145 26.2467 -57.8845 28.4554 -28.6289 TIMING: 3533000 CPU: 10632.9, 0.00300751/step Wall: 10632.9, 0.00300751/step, 1.22556 hours remaining, 210.503906 MB of memory in use. ENERGY: 3533000 713.7604 2137.2947 1936.8378 114.4467 -206482.8431 17760.0609 0.0000 0.0000 34177.6404 -149642.8022 298.4818 -183820.4426 -149545.7039 298.2634 -82.8206 -54.1050 556741.9880 10.3265 10.3882 PRESSURE: 3533200 -172.969 -80.7355 -9.17883 -80.735 118.326 29.8324 -9.18006 29.8318 -30.6206 GPRESSURE: 3533200 -154.6 -91.0698 28.2522 -69.6334 145.171 -16.4326 -143.992 72.8125 24.2582 PRESSAVG: 3533200 10.6095 9.81694 -38.1834 9.81701 -19.6019 4.96936 -38.1833 4.96939 25.139 GPRESSAVG: 3533200 11.1773 12.1859 -37.4631 9.80408 -21.0224 5.6349 -40.5627 4.34969 25.8255 TIMING: 3533200 CPU: 10633.5, 0.00295994/step Wall: 10633.5, 0.00295994/step, 1.20601 hours remaining, 210.503906 MB of memory in use. ENERGY: 3533200 759.2685 2112.3218 1947.0599 115.9287 -206525.9184 17833.8601 0.0000 0.0000 34061.8833 -149695.5960 297.4709 -183757.4793 -149599.8733 298.3483 -28.4209 4.9432 556543.0454 5.3822 5.3268 PRESSURE: 3533400 52.1099 69.8913 -143.52 69.8917 -41.8654 168.014 -143.52 168.014 88.6231 GPRESSURE: 3533400 55.7343 8.29315 -136.98 109.517 29.4409 223.873 -189.57 163.295 100.297 PRESSAVG: 3533400 21.4626 -22.5367 -63.2084 -22.5367 41.6347 -53.471 -63.2084 -53.4709 -21.4854 GPRESSAVG: 3533400 22.1165 -23.4472 -64.0534 -22.0164 41.6682 -52.0358 -62.4212 -54.9842 -22.1484 TIMING: 3533400 CPU: 10634.1, 0.00296987/step Wall: 10634.1, 0.00296987/step, 1.20989 hours remaining, 210.503906 MB of memory in use. ENERGY: 3533400 790.6762 2081.1218 1924.9686 115.3517 -206574.8686 18015.0016 0.0000 0.0000 33943.3281 -149704.4205 296.4355 -183647.7486 -149612.7672 298.0288 32.9558 61.8242 556638.2861 13.8706 13.8788 PRESSURE: 3533600 178.492 -149.91 -3.45615 -149.909 -98.4393 -116.824 -3.45502 -116.824 123.262 GPRESSURE: 3533600 127.048 -169.404 44.7151 -93.5411 -34.9055 -154.092 2.72204 -4.41863 203.464 PRESSAVG: 3533600 -11.7284 10.9746 4.91733 10.9746 47.2597 -2.51175 4.91739 -2.51177 7.84725 GPRESSAVG: 3533600 -12.1541 10.6635 4.01502 12.5013 47.717 -3.19112 7.10606 -1.54373 7.74896 TIMING: 3533600 CPU: 10634.7, 0.00300635/step Wall: 10634.7, 0.00300635/step, 1.22459 hours remaining, 210.503906 MB of memory in use. ENERGY: 3533600 747.2357 2107.2953 1937.5301 121.5674 -206365.0487 17926.1664 0.0000 0.0000 34042.5148 -149482.7390 297.3017 -183525.2538 -149388.7924 298.2536 67.7717 98.5354 557498.3541 14.4595 14.4373 PRESSURE: 3533800 -185.466 81.6563 56.8348 81.6561 -269.928 83.1294 56.8346 83.1287 -65.5416 GPRESSURE: 3533800 -190.077 31.4473 -11.0651 160.397 -226.796 125.013 148.668 43.2698 1.85198 PRESSAVG: 3533800 -20.6407 -9.56397 3.77169 -9.56391 -37.4523 -28.4511 3.77173 -28.4511 31.4557 GPRESSAVG: 3533800 -20.6356 -8.13182 5.65322 -9.76445 -37.0163 -27.626 2.28184 -26.7943 31.0966 TIMING: 3533800 CPU: 10635.3, 0.00298968/step Wall: 10635.3, 0.00298968/step, 1.21763 hours remaining, 210.503906 MB of memory in use. ENERGY: 3533800 772.7802 2108.5069 1948.9226 105.5095 -206370.6827 17601.8379 0.0000 0.0000 34568.6454 -149264.4801 301.8966 -183833.1255 -149174.3106 299.6401 -173.6454 -138.3401 558186.9494 -8.8791 -8.8518 PRESSURE: 3534000 -258.901 -35.5352 -54.9797 -35.5344 55.507 -36.3111 -54.9803 -36.3102 -125.127 GPRESSURE: 3534000 -196.645 -78.7764 2.45489 11.119 89.9296 -85.0086 -110.454 -10.1984 -130.098 PRESSAVG: 3534000 -64.9718 3.62205 6.94226 3.62215 20.8242 -60.1889 6.94225 -60.1889 67.7052 GPRESSAVG: 3534000 -64.9114 2.33663 6.59945 2.67952 21.5612 -58.759 7.24311 -61.7502 67.7173 TIMING: 3534000 CPU: 10635.9, 0.00298595/step Wall: 10635.9, 0.00298595/step, 1.21595 hours remaining, 210.503906 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: 3534000 775.6853 2114.2451 1960.0217 129.3581 -206250.8582 17789.0167 0.0000 0.0000 34034.1641 -149448.3673 297.2288 -183482.5314 -149352.4655 299.2378 -109.5070 -78.9378 558223.0103 7.8525 8.1224 PRESSURE: 3534200 -89.5978 71.4181 46.0837 71.4174 -49.4806 37.3061 46.0849 37.3046 -14.2451 GPRESSURE: 3534200 -20.7087 51.6691 54.0678 100.778 -50.6525 25.0984 131.156 22.6925 15.089 PRESSAVG: 3534200 17.667 -59.8548 -12.2415 -59.8548 -23.1449 27.9006 -12.2415 27.9004 -27.8843 GPRESSAVG: 3534200 17.6577 -59.7032 -12.5341 -59.7474 -24.6769 26.6043 -11.5079 28.5565 -26.6268 TIMING: 3534200 CPU: 10636.4, 0.00297802/step Wall: 10636.4, 0.00297802/step, 1.21255 hours remaining, 210.503906 MB of memory in use. ENERGY: 3534200 756.9280 2082.8047 1932.3746 125.8911 -206766.5916 17953.7927 0.0000 0.0000 34203.1436 -149711.6568 298.7046 -183914.8005 -149613.2904 298.1413 -51.1078 -18.7574 557708.4765 -11.1208 -11.2153 PRESSURE: 3534400 -11.0269 125.077 79.3446 125.077 -183.661 -8.28423 79.3442 -8.28543 -238.461 GPRESSURE: 3534400 -56.6646 73.033 60.0004 90.6765 -126.786 21.2455 104.06 -61.4607 -155.088 PRESSAVG: 3534400 -17.7038 14.6955 -7.38598 14.6955 15.8806 21.8295 -7.38587 21.8295 7.24774 GPRESSAVG: 3534400 -17.6532 16.607 -8.06209 14.9905 16.7707 19.9862 -8.09953 22.315 6.1222 TIMING: 3534400 CPU: 10637, 0.00297769/step Wall: 10637, 0.00297769/step, 1.21225 hours remaining, 210.503906 MB of memory in use. ENERGY: 3534400 764.5906 2086.9741 1948.6202 103.4504 -206487.0904 17687.5006 0.0000 0.0000 34123.6713 -149772.2831 298.0105 -183895.9544 -149668.8041 298.2788 -144.3829 -112.8461 557498.6006 1.8082 1.7466 PRESSURE: 3534600 -149.115 -46.6103 -178.541 -46.6103 76.7546 36.5325 -178.541 36.5334 93.7971 GPRESSURE: 3534600 -106.276 -76.9973 -100.652 27.8117 66.8865 -46.3698 -261.7 37.5387 153.288 PRESSAVG: 3534600 43.9377 15.853 -59.4068 15.853 12.6825 43.4134 -59.4068 43.4133 -57.2566 GPRESSAVG: 3534600 44.1893 15.1414 -59.8659 15.6924 12.5102 45.7749 -60.1325 42.4359 -57.4858 TIMING: 3534600 CPU: 10637.6, 0.00299432/step Wall: 10637.6, 0.00299432/step, 1.21885 hours remaining, 210.707031 MB of memory in use. ENERGY: 3534600 711.1516 2038.0967 1945.4599 112.0386 -206848.4068 17925.1093 0.0000 0.0000 34147.9308 -149968.6200 298.2224 -184116.5507 -149863.5638 297.0452 7.1456 37.9663 556886.9775 -0.2121 -0.2621 PRESSURE: 3534800 -37.1895 24.1668 -3.40277 24.1658 -33.3802 21.8252 -3.40207 21.8254 64.1686 GPRESSURE: 3534800 -8.68979 -28.5859 57.5987 9.477 30.9593 49.4331 -21.0282 57.784 70.1708 PRESSAVG: 3534800 -51.0415 27.977 9.71361 27.9769 24.5695 27.3039 9.7136 27.3039 40.9587 GPRESSAVG: 3534800 -51.4262 27.2309 12.449 29.4677 25.0533 24.565 7.85035 29.8227 41.3211 TIMING: 3534800 CPU: 10638.2, 0.00296263/step Wall: 10638.2, 0.00296263/step, 1.20579 hours remaining, 210.707031 MB of memory in use. ENERGY: 3534800 739.9538 2078.9960 1958.6353 119.6905 -206465.2175 17798.7544 0.0000 0.0000 34014.0076 -149755.1799 297.0528 -183769.1874 -149658.1919 296.9970 -2.1337 30.8134 556618.7747 4.8289 4.9827 PRESSURE: 3535000 175.05 70.1688 -14.1068 70.1682 125.935 -120.791 -14.107 -120.791 -49.3461 GPRESSURE: 3535000 226.673 -7.42105 -43.8051 103.143 186.325 -79.7438 -15.0196 -192.345 -61.261 PRESSAVG: 3535000 -22.7079 24.1809 52.4117 24.1808 16.1668 -27.668 52.4115 -27.6679 -0.24244 GPRESSAVG: 3535000 -21.3318 24.9791 50.3976 22.9911 14.915 -24.9718 53.8879 -28.4178 -0.359927 TIMING: 3535000 CPU: 10638.8, 0.00297885/step Wall: 10638.8, 0.00297885/step, 1.21223 hours remaining, 210.707031 MB of memory in use. ENERGY: 3535000 719.2298 2030.3621 1976.8493 118.2781 -206642.9584 17998.9458 0.0000 0.0000 34144.1591 -149655.1342 298.1894 -183799.2933 -149554.5743 297.8407 83.8794 117.2457 557573.1800 -2.2612 -2.2589 PRESSURE: 3535200 -167.253 -52.741 -101.917 -52.7411 249.43 -18.07 -101.917 -18.0712 19.4467 GPRESSURE: 3535200 -108.482 -42.9149 -101.777 -13.1157 231.084 -40.0011 -88.6917 -42.3908 90.6059 PRESSAVG: 3535200 4.86757 -15.6453 -24.2615 -15.6452 59.4624 -27.1982 -24.2616 -27.1981 -40.2881 GPRESSAVG: 3535200 4.68997 -15.0467 -24.0633 -16.1771 58.6439 -28.0026 -22.5877 -27.6801 -39.068 TIMING: 3535200 CPU: 10639.4, 0.00300198/step Wall: 10639.4, 0.00300198/step, 1.22147 hours remaining, 210.851562 MB of memory in use. ENERGY: 3535200 722.2227 2069.5187 1980.8341 116.6169 -206533.4038 17904.9952 0.0000 0.0000 34309.6490 -149429.5671 299.6347 -183739.2161 -149334.2347 298.6046 33.8748 71.0692 557362.7100 8.0140 8.0886 PRESSURE: 3535400 -109.636 -74.7228 83.2429 -74.7222 -243.781 116.673 83.2433 116.672 -15.3095 GPRESSURE: 3535400 -105.188 -79.6825 59.7765 -117.792 -143.336 70.5355 86.5122 38.4432 -22.8642 PRESSAVG: 3535400 -22.2866 -11.6168 16.8773 -11.6168 26.0617 -40.6092 16.8773 -40.6091 29.4974 GPRESSAVG: 3535400 -23.0402 -12.873 18.5235 -10.6186 27.5988 -41.0067 13.371 -40.1405 28.2715 TIMING: 3535400 CPU: 10640, 0.00298264/step Wall: 10640, 0.00298264/step, 1.21344 hours remaining, 210.851562 MB of memory in use. ENERGY: 3535400 761.6911 2076.5450 1920.6976 109.9395 -206161.4807 17717.5329 0.0000 0.0000 34174.9011 -149400.1734 298.4579 -183575.0745 -149302.5088 298.9676 -122.9089 -90.4626 557900.7976 11.0908 10.9434 PRESSURE: 3535600 138.951 81.032 31.179 81.0323 279.764 -34.5769 31.1791 -34.5752 50.68 GPRESSURE: 3535600 178.963 137.295 76.2169 57.1371 261.733 -38.016 -47.4977 -0.875779 125.678 PRESSAVG: 3535600 16.2462 55.7273 25.6596 55.7272 -7.40704 -13.5886 25.6597 -13.5886 1.01024 GPRESSAVG: 3535600 17.7386 57.0075 24.0249 54.3102 -8.89864 -16.3553 28.6716 -11.8619 0.791975 TIMING: 3535600 CPU: 10640.6, 0.00299698/step Wall: 10640.6, 0.00299698/step, 1.2191 hours remaining, 210.851562 MB of memory in use. ENERGY: 3535600 681.7743 2181.3902 1959.5652 122.1659 -206589.8926 18024.1140 0.0000 0.0000 34183.1907 -149437.6924 298.5303 -183620.8831 -149343.6773 298.4503 156.4651 188.7914 556891.7518 3.2831 3.2106 PRESSURE: 3535800 -50.5548 -27.4108 83.7692 -27.4112 10.9854 -32.9084 83.7689 -32.9092 -179.336 GPRESSURE: 3535800 -54.5908 -80.2476 5.43255 38.6687 72.9018 -55.394 38.4769 -73.2412 -133.615 PRESSAVG: 3535800 0.3012 -24.3831 34.1033 -24.383 -72.0699 -3.50618 34.1032 -3.50618 57.1991 GPRESSAVG: 3535800 -0.677847 -25.9703 36.1288 -25.0757 -71.9929 -0.618532 32.6204 -6.53136 57.9317 TIMING: 3535800 CPU: 10641.2, 0.00298408/step Wall: 10641.2, 0.00298408/step, 1.21369 hours remaining, 210.851562 MB of memory in use. ENERGY: 3535800 744.9136 2091.6946 1948.4688 97.1884 -206448.9492 17727.7144 0.0000 0.0000 34253.8126 -149585.1568 299.1471 -183838.9693 -149486.8971 298.9080 -72.9683 -38.4346 557401.7580 -4.8565 -4.9130 PRESSURE: 3536000 -396.742 -117.891 5.95255 -117.891 -339.133 125.758 5.95392 125.758 -173.347 GPRESSURE: 3536000 -374.443 -87.4036 -3.45313 -141.902 -267.421 109.864 59.7623 199.308 -177.421 PRESSAVG: 3536000 -2.77257 15.3393 42.7617 15.3392 -31.9493 -21.8115 42.7617 -21.8115 -20.3398 GPRESSAVG: 3536000 -2.61549 16.0124 41.8635 16.0705 -32.0244 -22.3829 42.4753 -21.3664 -20.4716 TIMING: 3536000 CPU: 10641.8, 0.00296471/step Wall: 10641.8, 0.00296471/step, 1.20565 hours remaining, 210.851562 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: 3536000 781.3783 2112.3187 1938.2212 115.1266 -206175.0663 17372.6262 0.0000 0.0000 34327.8817 -149527.5135 299.7939 -183855.3952 -149433.8732 298.9330 -303.0737 -273.0949 556091.1607 -18.3539 -18.3705 PRESSURE: 3536200 132.147 -76.4979 -75.3805 -76.4967 54.2557 54.9596 -75.3812 54.9583 -57.409 GPRESSURE: 3536200 151.289 -49.38 -101.102 -141.937 101.297 51.6705 -52.6452 86.806 -46.7872 PRESSAVG: 3536200 -14.2467 7.0805 -22.5116 7.08056 -3.88217 13.1402 -22.5117 13.1401 49.2738 GPRESSAVG: 3536200 -14.8638 7.4284 -22.6403 7.43089 -2.50608 13.9178 -23.0336 13.3123 48.359 TIMING: 3536200 CPU: 10642.4, 0.0029785/step Wall: 10642.4, 0.0029785/step, 1.21109 hours remaining, 210.851562 MB of memory in use. ENERGY: 3536200 733.8774 2129.9175 1934.3627 106.4732 -206554.0191 17985.3674 0.0000 0.0000 34281.4558 -149382.5652 299.3885 -183664.0210 -149287.4897 298.9527 42.9979 68.5995 556854.2778 10.3817 10.3297 LDB: ============= START OF LOAD BALANCING ============== 10645.9 LDB: ============== END OF LOAD BALANCING =============== 10645.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10645.9 LDB: ============= START OF LOAD BALANCING ============== 10646.2 LDB: Largest compute 4802 load 0.028009 is 23.7% of average load 0.118182 LDB: Average compute 0.001716 is 1.5% of average load 0.118182 LDB: TIME 10646.2 LOAD: AVG 0.118182 MAX 0.207123 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.008 MB LDB: TIME 10646.2 LOAD: AVG 0.118182 MAX 0.207123 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.008 MB LDB: TIME 10646.2 LOAD: AVG 0.118182 MAX 0.207123 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.008 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10646.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10646.2 PRESSURE: 3536400 71.6327 75.1563 -3.66199 75.1572 2.41551 -143.596 -3.66179 -143.595 73.2509 GPRESSURE: 3536400 60.6191 94.8229 149.137 115.218 39.366 -167.853 -44.9811 -24.0066 133.737 PRESSAVG: 3536400 5.76758 -31.3048 -41.1744 -31.3047 -30.3944 42.3946 -41.1743 42.3946 29.739 GPRESSAVG: 3536400 6.18303 -31.1526 -39.9328 -33.1391 -30.3461 41.0667 -40.9571 41.9528 28.86 TIMING: 3536400 CPU: 10643, 0.00303262/step Wall: 10643, 0.00303262/step, 1.23293 hours remaining, 209.460938 MB of memory in use. ENERGY: 3536400 754.8458 2066.5604 1972.4024 108.3465 -206267.9162 17963.2931 0.0000 0.0000 34010.3130 -149392.1550 297.0205 -183402.4681 -149296.2872 298.6651 49.0997 77.9073 557714.0230 1.7041 1.5657 PRESSURE: 3536600 206.987 -8.7514 -25.7183 -8.75176 159.305 -69.652 -25.7183 -69.6509 188.545 GPRESSURE: 3536600 305.225 -8.79611 -21.1585 -86.4615 166.406 -27.0658 20.9726 -147.751 187.323 PRESSAVG: 3536600 -39.2701 -8.64765 -13.2566 -8.64769 19.5544 -30.323 -13.2567 -30.3229 36.8941 GPRESSAVG: 3536600 -38.789 -9.69739 -15.3372 -6.06214 18.8513 -30.8611 -12.242 -29.621 36.8875 TIMING: 3536600 CPU: 10643.6, 0.00300452/step Wall: 10643.6, 0.00300452/step, 1.22134 hours remaining, 209.531250 MB of memory in use. ENERGY: 3536600 755.9848 2110.1109 1936.1151 124.1835 -206578.8782 18090.0328 0.0000 0.0000 34095.2975 -149467.1536 297.7627 -183562.4511 -149375.7236 298.5376 184.9459 219.6513 555935.9791 5.7261 5.6499 PRESSURE: 3536800 -124.411 -40.0463 -32.8274 -40.0468 258.599 -6.70156 -32.8276 -6.70185 5.52407 GPRESSURE: 3536800 -53.5166 -30.6166 50.8233 11.9099 275.072 42.1639 -101.818 -64.9831 22.4105 PRESSAVG: 3536800 -38.0107 -49.746 25.6997 -49.7459 8.11628 1.65648 25.6997 1.65658 13.5536 GPRESSAVG: 3536800 -38.0693 -48.9264 25.8733 -52.1036 6.91585 2.31898 25.6941 0.465193 14.4232 TIMING: 3536800 CPU: 10644.2, 0.00302757/step Wall: 10644.2, 0.00302757/step, 1.23054 hours remaining, 209.531250 MB of memory in use. ENERGY: 3536800 713.8736 2123.8672 1973.3863 118.9245 -206274.7008 17673.5761 0.0000 0.0000 34096.3328 -149574.7404 297.7718 -183671.0732 -149486.4411 298.2894 46.5704 81.3220 556978.3594 -5.4469 -5.5767 PRESSURE: 3537000 2.09382 -22.2075 -102.007 -22.2073 -26.4851 9.02709 -102.008 9.0269 43.4471 GPRESSURE: 3537000 35.8112 11.3215 -23.4899 -41.8017 -40.7011 -11.2763 -195.656 5.97553 110.238 PRESSAVG: 3537000 -1.04895 -25.0567 -15.9585 -25.0567 -40.896 51.8017 -15.9585 51.8017 31.3983 GPRESSAVG: 3537000 -2.31329 -26.0098 -17.0006 -23.1612 -41.1578 53.2478 -16.2433 51.3041 32.5301 TIMING: 3537000 CPU: 10644.8, 0.00300373/step Wall: 10644.8, 0.00300373/step, 1.22068 hours remaining, 209.531250 MB of memory in use. ENERGY: 3537000 736.9047 2008.6987 1978.0662 112.9726 -206354.9398 17736.9678 0.0000 0.0000 34298.3562 -149482.9736 299.5361 -183781.3298 -149394.2703 298.2122 6.3519 35.1160 556809.6147 -3.5155 -3.6470 PRESSURE: 3537200 -133.179 147.485 -51.0132 147.486 -165.987 70.6917 -51.0144 70.692 144.084 GPRESSURE: 3537200 -76.6774 169.059 -30.2087 198.484 -154.852 47.9271 -50.7848 68.0957 165.165 PRESSAVG: 3537200 -29.1702 -43.8721 27.3009 -43.8721 -16.462 15.7989 27.3009 15.7987 51.7243 GPRESSAVG: 3537200 -29.5634 -42.1417 29.2441 -45.5498 -15.8918 15.143 26.1756 15.6449 52.4794 TIMING: 3537200 CPU: 10645.4, 0.00301472/step Wall: 10645.4, 0.00301472/step, 1.22498 hours remaining, 209.531250 MB of memory in use. ENERGY: 3537200 728.8188 2090.3293 1933.0338 112.8266 -206266.7602 17637.3391 0.0000 0.0000 34256.4816 -149507.9310 299.1704 -183764.4126 -149411.4385 299.2001 -51.6940 -22.1214 556237.3499 2.0307 2.3414 PRESSURE: 3537400 -210.776 -166.796 -88.5049 -166.797 158.74 129.434 -88.5046 129.434 -249.138 GPRESSURE: 3537400 -194.633 -83.9001 -83.7488 -194.261 169.868 71.7791 -74.0709 136.33 -189.044 PRESSAVG: 3537400 37.9532 -15.8536 45.586 -15.8536 -36.8893 18.803 45.586 18.803 -9.36218 GPRESSAVG: 3537400 39.8952 -16.6291 44.1257 -14.6847 -36.985 18.7402 45.9637 19.659 -11.1617 TIMING: 3537400 CPU: 10646, 0.00296105/step Wall: 10646, 0.00296105/step, 1.20301 hours remaining, 209.531250 MB of memory in use. ENERGY: 3537400 734.7160 2098.6814 1955.4528 117.8818 -206370.9373 17794.7038 0.0000 0.0000 34226.9207 -149442.5807 298.9122 -183669.5014 -149341.8187 298.7028 -100.3916 -71.2696 555634.8431 -2.7661 -2.7505 PRESSURE: 3537600 -19.9335 72.438 120.301 72.4377 -118.151 -223.585 120.301 -223.586 -146.269 GPRESSURE: 3537600 -30.5176 58.2876 99.1213 36.2052 -8.19659 -195.818 112.287 -119.008 -145.011 PRESSAVG: 3537600 -35.6321 -11.3151 35.9657 -11.3151 -35.876 14.6138 35.9656 14.6139 52.8029 GPRESSAVG: 3537600 -37.7208 -12.6251 36.5202 -13.3457 -34.3176 13.0497 35.4119 15.2982 53.4728 TIMING: 3537600 CPU: 10646.6, 0.00294607/step Wall: 10646.6, 0.00294607/step, 1.19676 hours remaining, 209.531250 MB of memory in use. ENERGY: 3537600 745.8771 2058.5211 1935.8477 110.4333 -206154.0497 17753.1727 0.0000 0.0000 34082.0099 -149468.1879 297.6467 -183550.1977 -149373.2688 297.7139 -94.7844 -61.2417 558508.4538 -6.2351 -6.1885 PRESSURE: 3537800 -120.814 -82.3578 42.5068 -82.3568 -131.765 -175.64 42.506 -175.641 116.916 GPRESSURE: 3537800 -28.3571 -36.6329 97.5409 -11.491 -133.092 -113.026 -2.14475 -175.116 123.826 PRESSAVG: 3537800 -32.2043 27.7576 43.0381 27.7577 -3.0635 -7.36343 43.0381 -7.36357 64.1393 GPRESSAVG: 3537800 -30.8097 29.4334 41.7346 28.0364 -4.04641 -6.9198 43.4111 -8.30789 63.7654 TIMING: 3537800 CPU: 10647.2, 0.00298212/step Wall: 10647.2, 0.00298212/step, 1.21124 hours remaining, 209.531250 MB of memory in use. ENERGY: 3537800 757.8545 2111.5406 1935.6655 120.9087 -206187.7723 17779.5239 0.0000 0.0000 33974.2889 -149507.9901 296.7059 -183482.2790 -149418.5448 298.7790 -45.2209 -12.5411 559026.6490 9.6238 9.6364 PRESSURE: 3538000 -178.651 66.5294 -0.0940394 66.5296 -95.0998 132.652 -0.0937905 132.651 -34.4561 GPRESSURE: 3538000 -140.008 39.5446 11.3154 100.528 -47.5846 83.5819 81.8232 147.549 -12.4766 PRESSAVG: 3538000 -8.98995 -6.56537 20.8168 -6.56538 -48.5712 13.0234 20.8167 13.0235 32.0218 GPRESSAVG: 3538000 -9.75929 -5.62779 23.7602 -7.37618 -47.7461 13.3089 20.865 13.9729 31.7359 TIMING: 3538000 CPU: 10647.8, 0.00299261/step Wall: 10647.8, 0.00299262/step, 1.21533 hours remaining, 209.531250 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: 3538000 761.0724 2122.0913 1940.8305 119.8761 -206509.5773 17835.4972 0.0000 0.0000 34186.9474 -149543.2624 298.5631 -183730.2098 -149440.9191 298.3795 -102.7358 -66.6899 558965.2856 -8.5131 -8.5898 PRESSURE: 3538200 83.8606 112.343 79.2738 112.344 223.326 222.47 79.2724 222.47 -139.877 GPRESSURE: 3538200 135.295 64.9875 144.045 71.645 218.83 207.347 51.8309 204.61 -100.082 PRESSAVG: 3538200 -19.2922 4.34416 25.5388 4.34417 -61.8189 34.2352 25.5389 34.2353 64.4277 GPRESSAVG: 3538200 -19.496 2.04217 23.2852 5.87094 -62.6115 35.1255 25.2825 32.8165 64.9427 TIMING: 3538200 CPU: 10648.4, 0.00294428/step Wall: 10648.4, 0.00294428/step, 1.19554 hours remaining, 209.531250 MB of memory in use. ENERGY: 3538200 799.5619 2090.8446 1918.8428 117.7956 -206874.2102 18005.6796 0.0000 0.0000 34380.3145 -149561.1712 300.2518 -183941.4856 -149471.4949 298.5441 55.7697 84.6810 556071.7841 -5.5611 -5.7216 PRESSURE: 3538400 254.198 20.9614 52.5289 20.9608 116.035 87.3527 52.528 87.3527 56.9451 GPRESSURE: 3538400 283.78 62.0847 125.611 -131.088 128.213 77.1463 74.2189 112.297 97.5822 PRESSAVG: 3538400 6.56924 8.23644 18.6509 8.23645 -32.529 49.3346 18.6509 49.3345 47.0687 GPRESSAVG: 3538400 5.76637 10.4292 18.8356 5.72503 -31.9963 48.7417 17.2405 48.7924 47.8086 TIMING: 3538400 CPU: 10649, 0.00296639/step Wall: 10649, 0.00296639/step, 1.20436 hours remaining, 209.531250 MB of memory in use. ENERGY: 3538400 772.7414 2063.5601 1947.0009 117.4868 -206856.3150 17951.1296 0.0000 0.0000 34203.7507 -149800.6454 298.7099 -184004.3961 -149700.7334 298.9284 142.3927 169.8584 554402.0058 7.0363 7.1929 PRESSURE: 3538600 -232.406 13.659 22.0107 13.6585 27.324 -48.1301 22.0101 -48.1294 206.884 GPRESSURE: 3538600 -199.113 -16.4681 4.52434 -2.16147 110.642 -76.0182 11.1298 -7.50182 179.471 PRESSAVG: 3538600 8.30466 -1.63121 14.2992 -1.63126 -19.4124 -20.8389 14.2992 -20.8389 35.087 GPRESSAVG: 3538600 8.87908 -4.95918 13.7262 0.0281198 -20.3897 -21.364 16.2814 -19.2991 34.7392 TIMING: 3538600 CPU: 10649.6, 0.00295673/step Wall: 10649.6, 0.00295673/step, 1.20027 hours remaining, 209.531250 MB of memory in use. ENERGY: 3538600 726.7128 2127.3784 1957.3756 116.1428 -206489.4694 17935.3638 0.0000 0.0000 33948.3447 -149678.1514 296.4793 -183626.4961 -149584.6396 297.8578 0.6006 30.3332 556569.1567 7.9931 7.7429 PRESSURE: 3538800 -67.1554 110.675 89.1051 110.677 -280.342 25.6624 89.1052 25.6629 -4.69048 GPRESSURE: 3538800 -44.1787 111.836 75.7001 70.3254 -245.711 158.61 113.811 1.29534 45.3251 PRESSAVG: 3538800 5.88059 13.552 47.6179 13.5519 -51.0968 3.4687 47.618 3.4687 93.2689 GPRESSAVG: 3538800 5.39705 15.9029 47.3632 14.0054 -50.7317 2.31552 47.2351 4.67798 93.1656 TIMING: 3538800 CPU: 10650.2, 0.00296383/step Wall: 10650.2, 0.00296383/step, 1.20299 hours remaining, 209.531250 MB of memory in use. ENERGY: 3538800 759.6606 2107.6215 1917.9325 115.9845 -206342.8110 17763.0534 0.0000 0.0000 33966.1528 -149712.4058 296.6349 -183678.5586 -149616.2178 297.9342 -117.3960 -81.5215 557774.1672 16.0175 15.9436 PRESSURE: 3539000 274.613 -9.97628 -4.67034 -9.97666 80.8859 10.4453 -4.67177 10.4445 125.702 GPRESSURE: 3539000 279.395 82.3848 100.344 -75.4345 76.4366 -6.94787 -58.2707 116.055 217.432 PRESSAVG: 3539000 -16.0608 50.6925 66.6807 50.6925 11.9186 -46.9251 66.6807 -46.9251 24.4767 GPRESSAVG: 3539000 -17.0513 50.6546 68.3578 48.2967 12.7754 -44.9368 65.2366 -49.3708 24.3708 TIMING: 3539000 CPU: 10650.8, 0.00298973/step Wall: 10650.8, 0.00298973/step, 1.21333 hours remaining, 209.531250 MB of memory in use. ENERGY: 3539000 767.9038 2082.3230 1909.5032 122.4195 -206919.1132 18168.1850 0.0000 0.0000 33996.5202 -149872.2585 296.9001 -183868.7787 -149776.2930 297.1683 160.4004 191.0878 555850.5356 6.7782 6.6983 PRESSURE: 3539200 -28.9246 -144.205 81.0577 -144.204 -134.782 83.6661 81.0584 83.6664 120.227 GPRESSURE: 3539200 15.133 -62.7399 30.426 -193.475 -126.491 233.249 119.784 106.624 169.63 PRESSAVG: 3539200 12.6115 23.3274 4.23856 23.3275 -19.8963 -29.0025 4.23864 -29.0025 3.36275 GPRESSAVG: 3539200 13.179 24.0053 4.66389 24.0966 -20.9766 -28.657 4.42721 -29.543 3.88713 TIMING: 3539200 CPU: 10651.4, 0.00298278/step Wall: 10651.4, 0.00298278/step, 1.21034 hours remaining, 209.531250 MB of memory in use. ENERGY: 3539200 788.5235 2105.1417 1909.4939 118.8388 -206830.0732 17952.1978 0.0000 0.0000 34158.8217 -149797.0559 298.3175 -183955.8776 -149703.9396 297.1949 -14.4932 19.4239 556220.8790 -1.3074 -1.3035 PRESSURE: 3539400 -178.009 94.613 69.7716 94.6134 -167.49 -175.184 69.7719 -175.186 -152.948 GPRESSURE: 3539400 -127.336 198.805 23.5001 49.7767 -108.915 -166.483 72.2966 -194.286 -168.58 PRESSAVG: 3539400 -3.99165 19.5746 -19.9927 19.5746 16.8824 -22.9687 -19.9927 -22.9686 -17.6432 GPRESSAVG: 3539400 -4.05896 20.1004 -22.7702 18.7817 17.5411 -22.9714 -18.5533 -23.9896 -18.7202 TIMING: 3539400 CPU: 10652, 0.00297843/step Wall: 10652, 0.00297843/step, 1.20842 hours remaining, 209.531250 MB of memory in use. ENERGY: 3539400 743.5905 2061.9489 1932.2626 117.7118 -205957.6815 17493.1206 0.0000 0.0000 33990.8159 -149618.2311 296.8502 -183609.0470 -149531.1374 297.5104 -166.1487 -134.9438 556977.5815 -1.5842 -1.7460 PRESSURE: 3539600 136.999 -58.661 -79.0998 -58.6613 80.0405 -103.73 -79.1003 -103.729 3.67261 GPRESSURE: 3539600 187.768 -189.096 -54.1711 -82.393 68.4822 -8.6177 -72.9335 -153.268 65.4517 PRESSAVG: 3539600 80.4429 42.645 26.0728 42.6449 4.86842 -35.3854 26.0728 -35.3854 -105.447 GPRESSAVG: 3539600 80.5782 41.9987 26.4384 43.3483 5.28455 -35.3841 27.9204 -34.4983 -106.431 TIMING: 3539600 CPU: 10652.6, 0.00296285/step Wall: 10652.6, 0.00296285/step, 1.20193 hours remaining, 209.531250 MB of memory in use. ENERGY: 3539600 730.5148 2099.6679 1911.4707 126.1350 -206447.2419 17837.8542 0.0000 0.0000 34090.5176 -149651.0818 297.7210 -183741.5994 -149554.8960 297.4870 73.5708 107.2338 555113.5282 -6.7117 -6.8562 PRESSURE: 3539800 -11.4487 7.83877 -47.7343 7.83821 -98.7074 36.356 -47.735 36.3556 1.94401 GPRESSURE: 3539800 23.9995 -28.9379 -116.763 63.9921 -6.36176 15.3773 -62.4195 123.123 -30.3751 PRESSAVG: 3539800 5.60006 12.7519 -32.0145 12.7519 1.62418 -3.68024 -32.0144 -3.68018 -35.6195 GPRESSAVG: 3539800 4.90627 12.8891 -31.711 12.9102 0.880376 -1.22443 -34.9534 -4.55398 -34.4529 TIMING: 3539800 CPU: 10653.1, 0.00298203/step Wall: 10653.1, 0.00298203/step, 1.20955 hours remaining, 209.531250 MB of memory in use. ENERGY: 3539800 735.7024 2091.6963 1942.9514 107.9802 -206286.3856 17649.0002 0.0000 0.0000 34084.2642 -149674.7909 297.6664 -183759.0552 -149582.4215 298.1939 -36.0707 -4.2458 555793.6526 -9.4651 -9.5554 PRESSURE: 3540000 49.0736 106.984 138.828 106.984 117.318 -18.2635 138.827 -18.2635 -59.0681 GPRESSURE: 3540000 52.0052 86.9074 70.1707 110.096 189.999 63.3173 122.626 -13.0344 -39.2311 PRESSAVG: 3540000 85.3507 17.7628 -23.4419 17.7629 12.1372 63.4066 -23.442 63.4066 -70.2872 GPRESSAVG: 3540000 84.4944 17.8227 -22.7001 17.2 13.9499 60.1508 -22.7425 66.6271 -71.0428 TIMING: 3540000 CPU: 10653.7, 0.00295421/step Wall: 10653.7, 0.00295421/step, 1.1981 hours remaining, 209.531250 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: 3540000 716.1494 2006.3083 1905.4771 119.2538 -206328.9634 17814.4977 0.0000 0.0000 34114.3740 -149652.9032 297.9293 -183767.2772 -149553.1242 297.8045 35.7744 67.5909 556307.2240 9.0669 9.1338 PRESSURE: 3540200 -93.8775 42.0681 178.963 42.0669 -102.233 65.4841 178.963 65.4864 -61.5712 GPRESSURE: 3540200 -40.5181 77.0545 203.238 -29.7268 -62.7575 101.507 148.235 35.8686 -53.4086 PRESSAVG: 3540200 34.0298 22.8675 71.4493 22.8675 71.7899 32.8701 71.4494 32.87 -82.0131 GPRESSAVG: 3540200 33.8231 20.4985 71.8138 22.8969 70.8683 35.0406 72.2641 32.3802 -81.386 TIMING: 3540200 CPU: 10654.3, 0.00296346/step Wall: 10654.3, 0.00296346/step, 1.20168 hours remaining, 209.531250 MB of memory in use. ENERGY: 3540200 797.2722 1993.3133 1916.8374 109.6984 -206792.1691 17795.6492 0.0000 0.0000 34340.8893 -149838.5094 299.9075 -184179.3987 -149744.5948 297.8119 -85.8939 -52.2281 555579.1201 7.9355 7.7684 LDB: ============= START OF LOAD BALANCING ============== 10657.8 LDB: ============== END OF LOAD BALANCING =============== 10657.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10657.8 LDB: ============= START OF LOAD BALANCING ============== 10658.1 LDB: Largest compute 4802 load 0.028151 is 23.8% of average load 0.118155 LDB: Average compute 0.001717 is 1.5% of average load 0.118155 LDB: TIME 10658.1 LOAD: AVG 0.118155 MAX 0.204081 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.07 MB LDB: TIME 10658.1 LOAD: AVG 0.118155 MAX 0.204081 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.07 MB LDB: TIME 10658.1 LOAD: AVG 0.118155 MAX 0.204081 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.07 MB LDB: ============== END OF LOAD BALANCING =============== 10658.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10658.2 PRESSURE: 3540400 -135.752 75.1755 81.6631 75.1758 -164.046 -131.728 81.6637 -131.728 -36.9213 GPRESSURE: 3540400 -96.5414 47.1128 110.032 60.7717 -160.274 -88.6507 23.8251 -178.109 29.2202 PRESSAVG: 3540400 -0.635813 13.8486 19.0967 13.8486 44.4118 -28.3934 19.0967 -28.3933 -6.48419 GPRESSAVG: 3540400 0.504196 15.2183 18.0309 14.8534 43.2743 -28.842 17.6756 -30.2252 -6.52975 TIMING: 3540400 CPU: 10654.9, 0.00301489/step Wall: 10654.9, 0.00301489/step, 1.22237 hours remaining, 207.406250 MB of memory in use. ENERGY: 3540400 729.2064 2046.6141 1922.4186 108.5111 -206292.0937 17694.0182 0.0000 0.0000 34001.5233 -149789.8019 296.9438 -183791.3252 -149692.8263 297.6924 -112.2399 -75.8651 556588.4970 12.4306 12.4162 PRESSURE: 3540600 -259.557 92.8754 10.7925 92.8751 -251.553 10.2678 10.7927 10.2688 -81.377 GPRESSURE: 3540600 -183.532 105.06 11.9642 78.4328 -245.743 83.8162 0.689513 -39.5819 -70.6696 PRESSAVG: 3540600 -23.4548 -17.038 9.33349 -17.038 -9.11299 -23.5699 9.3335 -23.57 8.96501 GPRESSAVG: 3540600 -23.499 -18.257 10.8873 -15.9952 -8.18104 -24.8922 9.97477 -21.8575 7.46031 TIMING: 3540600 CPU: 10655.5, 0.00295581/step Wall: 10655.5, 0.00295581/step, 1.19825 hours remaining, 207.406250 MB of memory in use. ENERGY: 3540600 753.5427 2092.8458 1915.5334 121.0983 -206334.5525 17529.3953 0.0000 0.0000 34120.3786 -149801.7584 297.9818 -183922.1370 -149699.5395 297.1684 -197.4957 -166.6483 556692.1628 -7.8676 -8.0732 PRESSURE: 3540800 -296.088 5.5086 110.037 5.50921 88.365 59.0013 110.038 59.0018 68.8458 GPRESSURE: 3540800 -236.851 -52.0513 107.087 82.0194 102.581 31.3095 72.7538 64.9821 96.6889 PRESSAVG: 3540800 -29.8546 -29.6328 -32.2885 -29.6328 -32.6915 -15.137 -32.2886 -15.137 70.7408 GPRESSAVG: 3540800 -30.7814 -28.6185 -32.8721 -30.4055 -32.3424 -16.3887 -32.2128 -15.3345 71.3819 TIMING: 3540800 CPU: 10656.1, 0.00294287/step Wall: 10656.1, 0.00294287/step, 1.19285 hours remaining, 207.406250 MB of memory in use. ENERGY: 3540800 735.2719 2066.2259 1935.3917 110.0965 -206382.2130 17751.1452 0.0000 0.0000 34133.7522 -149650.3296 298.0985 -183784.0818 -149560.0340 297.7263 -46.2923 -12.5271 556515.4679 2.7316 2.7527 PRESSURE: 3541000 -436.625 96.0924 -128.568 96.0926 -178.659 -39.9935 -128.568 -39.9926 -497.479 GPRESSURE: 3541000 -421.108 63.2702 -66.4138 171.209 -187.043 -80.5412 -171.215 -56.3516 -406.402 PRESSAVG: 3541000 5.56279 -2.75729 29.6604 -2.75734 -5.17908 15.6939 29.6605 15.6937 30.025 GPRESSAVG: 3541000 6.55057 -1.19496 29.6693 -3.05192 -5.83388 16.467 29.2691 15.2627 29.8859 TIMING: 3541000 CPU: 10656.7, 0.0029369/step Wall: 10656.7, 0.0029369/step, 1.19026 hours remaining, 207.406250 MB of memory in use. ENERGY: 3541000 762.6264 2077.2715 1902.8477 120.0562 -206084.8499 17377.5682 0.0000 0.0000 34047.8840 -149796.5960 297.3486 -183844.4799 -149694.7397 298.0921 -370.9210 -338.1841 557898.2710 10.1362 10.2008 PRESSURE: 3541200 -192.48 -129.706 129.131 -129.706 -31.1519 -27.1473 129.131 -27.1469 -307.795 GPRESSURE: 3541200 -157.489 -58.055 137.365 -195.636 -25.1404 3.40951 67.4283 -65.447 -250.932 PRESSAVG: 3541200 -14.3311 22.1342 -10.9055 22.1343 48.7669 -16.2905 -10.9055 -16.2905 -46.5228 GPRESSAVG: 3541200 -14.1557 21.3804 -9.51973 20.9613 48.8149 -15.9835 -11.2468 -16.4524 -47.0051 TIMING: 3541200 CPU: 10657.3, 0.00294417/step Wall: 10657.3, 0.00294417/step, 1.19304 hours remaining, 207.531250 MB of memory in use. ENERGY: 3541200 770.5498 2070.5308 1910.9079 111.7338 -206190.8593 17666.4691 0.0000 0.0000 34049.8323 -149610.8356 297.3657 -183660.6679 -149511.7298 297.2044 -177.1425 -144.5206 558847.0534 -4.0290 -4.1153 PRESSURE: 3541400 -134.333 107.787 -29.1536 107.787 -69.6916 84.2179 -29.1539 84.2181 129.863 GPRESSURE: 3541400 -52.6374 28.1775 -19.9447 126.228 -76.4485 123.819 -45.6021 90.2875 151.675 PRESSAVG: 3541400 20.5952 -8.64127 12.9403 -8.6413 -10.9564 7.7027 12.9403 7.70273 -50.5883 GPRESSAVG: 3541400 20.8144 -7.57966 13.312 -9.41455 -11.4222 6.33435 13.2224 8.23598 -49.7876 TIMING: 3541400 CPU: 10657.9, 0.00292594/step Wall: 10657.9, 0.00292594/step, 1.18549 hours remaining, 207.531250 MB of memory in use. ENERGY: 3541400 725.5505 2079.8187 1936.8762 116.8468 -206155.0655 17536.7641 0.0000 0.0000 34119.8121 -149639.3972 297.9768 -183759.2093 -149544.4029 298.0957 -24.7205 7.5298 556156.2512 -13.6498 -13.4651 PRESSURE: 3541600 -173.559 5.94538 31.898 5.94461 -53.7724 157.514 31.8967 157.514 -170.986 GPRESSURE: 3541600 -149.282 -31.5591 45.5119 47.4558 -39.901 208.879 5.22413 105.307 -106.255 PRESSAVG: 3541600 -13.986 -20.7042 -18.0332 -20.7042 11.6569 5.54928 -18.0333 5.54938 -3.32658 GPRESSAVG: 3541600 -14.7053 -21.5161 -18.5485 -18.4618 12.0343 9.04449 -17.5528 4.7077 -3.13721 TIMING: 3541600 CPU: 10658.5, 0.00297214/step Wall: 10658.5, 0.00297214/step, 1.20405 hours remaining, 207.531250 MB of memory in use. ENERGY: 3541600 784.9054 2120.0087 1919.7604 118.5572 -206516.1132 17655.2511 0.0000 0.0000 34298.4244 -149619.2061 299.5367 -183917.6305 -149531.5625 298.5823 -132.7724 -98.4794 556676.2002 -1.8853 -1.9361 PRESSURE: 3541800 21.4263 -192.97 105.257 -192.971 -73.3591 -85.4748 105.258 -85.4746 143.376 GPRESSURE: 3541800 8.24947 -138.45 89.1477 -229.199 -3.6766 -93.3916 115.212 -122.765 180.723 PRESSAVG: 3541800 -73.7269 -36.5903 34.6375 -36.5903 90.614 15.8431 34.6375 15.8431 -58.6458 GPRESSAVG: 3541800 -73.4965 -38.3846 32.58 -36.7633 90.3577 14.2124 34.4457 16.0058 -59.1293 TIMING: 3541800 CPU: 10659.1, 0.00299364/step Wall: 10659.1, 0.00299364/step, 1.21259 hours remaining, 207.531250 MB of memory in use. ENERGY: 3541800 729.5755 2040.7101 1893.7033 110.2535 -206420.3304 17819.9657 0.0000 0.0000 34157.6967 -149668.4257 298.3077 -183826.1223 -149568.3430 298.3850 30.4810 61.7651 556365.7194 -13.9196 -14.0894 PRESSURE: 3542000 -184.418 -83.1289 -105.162 -83.1286 63.0883 -227.237 -105.162 -227.238 -59.529 GPRESSURE: 3542000 -124.402 -97.1681 -83.7851 -29.827 159.16 -250.361 -113.161 -253.836 -102.895 PRESSAVG: 3542000 -21.3233 16.5763 -7.7461 16.5763 50.3849 -52.4139 -7.74622 -52.4138 -38.6794 GPRESSAVG: 3542000 -21.1295 18.7165 -6.58881 16.7023 49.842 -52.0486 -7.35725 -53.0285 -38.0101 TIMING: 3542000 CPU: 10659.7, 0.0029576/step Wall: 10659.7, 0.0029576/step, 1.19783 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: 3542000 715.3885 1966.4731 1935.1111 105.3428 -206500.6422 17820.3426 0.0000 0.0000 34315.1978 -149642.7863 299.6832 -183957.9841 -149547.0811 298.0087 -60.2861 -22.7125 556622.9468 -3.2059 -3.0992 PRESSURE: 3542200 233.364 17.529 -99.0928 17.529 -55.3657 -181.186 -99.0927 -181.184 -5.1367 GPRESSURE: 3542200 245.294 -84.2778 -95.913 62.5309 -45.4518 -254.311 -83.6138 -143.064 72.464 PRESSAVG: 3542200 -110.015 -74.5349 -37.9676 -74.5349 54.2178 11.4378 -37.9675 11.4378 35.4829 GPRESSAVG: 3542200 -110.63 -74.5907 -37.2963 -75.6721 54.9955 10.3592 -37.7504 12.6698 35.1698 TIMING: 3542200 CPU: 10660.3, 0.00296651/step Wall: 10660.3, 0.00296651/step, 1.20127 hours remaining, 207.531250 MB of memory in use. ENERGY: 3542200 734.8158 2041.3217 1926.2268 116.9058 -206769.4952 18102.9816 0.0000 0.0000 34223.0038 -149624.2397 298.8780 -183847.2435 -149524.1805 298.3817 57.6207 90.7689 558349.7774 -6.7713 -6.8215 PRESSURE: 3542400 310.472 67.7873 -68.46 67.7874 165.992 72.81 -68.4606 72.8092 172.829 GPRESSURE: 3542400 317.188 -41.1393 14.161 107.45 178.445 113.594 -17.034 85.7883 246.261 PRESSAVG: 3542400 -12.2891 3.41045 -23.7733 3.41045 17.497 12.1589 -23.7734 12.1588 40.7262 GPRESSAVG: 3542400 -12.2688 2.60572 -25.8405 3.94759 16.8912 13.3759 -23.4874 12.1027 41.8207 TIMING: 3542400 CPU: 10660.9, 0.00298017/step Wall: 10660.9, 0.00298017/step, 1.20664 hours remaining, 207.531250 MB of memory in use. ENERGY: 3542400 781.9242 2065.3901 1933.8569 112.2622 -206563.2596 18157.8024 0.0000 0.0000 34148.0830 -149363.9407 298.2237 -183512.0237 -149262.1373 298.5609 216.4310 247.2980 557821.9697 15.3114 15.4811 PRESSURE: 3542600 -5.10114 82.8711 -64.2041 82.8712 -83.3688 -0.075266 -64.2014 -0.074798 -64.3219 GPRESSURE: 3542600 30.1583 86.0855 -46.9833 11.2383 -83.9764 -74.1151 -84.6883 90.7263 1.88876 PRESSAVG: 3542600 76.0262 31.4982 -45.3084 31.4982 -35.3956 46.9946 -45.3083 46.9945 -16.0353 GPRESSAVG: 3542600 76.4635 31.8847 -43.8006 31.1663 -34.726 45.5972 -45.3938 46.3881 -17.1769 TIMING: 3542600 CPU: 10661.4, 0.00298874/step Wall: 10661.4, 0.00298874/step, 1.20994 hours remaining, 207.531250 MB of memory in use. ENERGY: 3542600 759.4706 2107.3006 1935.1802 134.4008 -206460.7440 17873.9291 0.0000 0.0000 34188.2165 -149462.2462 298.5742 -183650.4627 -149371.1260 298.3622 -50.9306 -17.3098 559469.8148 8.1985 8.1869 PRESSURE: 3542800 206.714 -12.716 -72.2393 -12.7159 58.1173 -204.295 -72.2383 -204.294 138.707 GPRESSURE: 3542800 250.335 -80.6316 -11.3017 59.5822 72.3852 -202.436 -70.1526 -203.12 168.517 PRESSAVG: 3542800 33.3292 -16.3112 -9.97543 -16.3112 -34.344 30.5677 -9.97541 30.5678 35.012 GPRESSAVG: 3542800 34.1472 -14.6421 -10.0854 -14.8622 -35.7662 30.0109 -10.6126 31.6292 35.4364 TIMING: 3542800 CPU: 10662, 0.00298754/step Wall: 10662, 0.00298754/step, 1.20929 hours remaining, 207.531250 MB of memory in use. ENERGY: 3542800 775.8103 2085.9252 1949.6961 119.2228 -206656.8373 18091.2494 0.0000 0.0000 34131.6219 -149503.3116 298.0799 -183634.9335 -149412.4216 297.9356 134.5126 163.7455 556410.3441 11.3324 11.2725 PRESSURE: 3543000 293.557 43.4383 -89.9864 43.4391 119.484 -256.999 -89.9862 -256.999 -195.723 GPRESSURE: 3543000 265.265 41.7609 -115.282 2.26701 171.641 -246.653 -106.801 -246.38 -107.558 PRESSAVG: 3543000 59.5967 -23.7389 -55.4979 -23.7389 5.95842 -15.9619 -55.4979 -15.962 -4.47013 GPRESSAVG: 3543000 58.6839 -26.6613 -55.209 -25.3593 6.95712 -14.933 -53.7122 -17.2444 -4.47527 TIMING: 3543000 CPU: 10662.6, 0.00302119/step Wall: 10662.6, 0.00302119/step, 1.22274 hours remaining, 207.531250 MB of memory in use. ENERGY: 3543000 740.0839 2113.7617 1919.8696 119.7427 -206459.6950 17894.9022 0.0000 0.0000 34003.0091 -149668.3258 296.9567 -183671.3349 -149579.5771 297.7828 72.4394 109.7825 557172.3696 20.3617 20.3886 PRESSURE: 3543200 -406.842 61.2152 -66.3826 61.2157 -266.152 -16.9896 -66.3827 -16.9888 -117.604 GPRESSURE: 3543200 -316.869 81.843 -72.2902 56.8371 -271.868 -5.81945 2.37011 -52.7038 -96.6166 PRESSAVG: 3543200 -24.5152 -34.7125 -5.97245 -34.7125 -4.49241 -30.6215 -5.97239 -30.6215 4.90066 GPRESSAVG: 3543200 -22.7198 -32.3809 -4.61725 -35.2012 -5.47811 -30.0203 -9.0433 -30.9134 4.84461 TIMING: 3543200 CPU: 10663.2, 0.00298689/step Wall: 10663.2, 0.00298689/step, 1.2087 hours remaining, 207.531250 MB of memory in use. ENERGY: 3543200 747.1987 2072.8050 1907.2489 115.1711 -205929.3777 17513.8320 0.0000 0.0000 33661.6697 -149911.4524 293.9757 -183573.1221 -149822.6908 296.5884 -263.5323 -228.4514 559326.2352 -8.0356 -7.7844 PRESSURE: 3543400 -220.528 -5.93245 -132.655 -5.93284 -125.961 92.8176 -132.657 92.8184 -5.06303 GPRESSURE: 3543400 -190.32 3.99987 -126.635 -23.6038 -81.6034 54.5 -176.571 95.8918 13.7373 PRESSAVG: 3543400 48.2476 27.646 -20.7756 27.6461 -20.3492 32.3625 -20.7756 32.3625 -16.1613 GPRESSAVG: 3543400 47.7252 27.2727 -22.1241 26.9464 -19.8683 32.4103 -20.0559 32.8908 -16.2454 TIMING: 3543400 CPU: 10663.8, 0.0029808/step Wall: 10663.8, 0.0029808/step, 1.20606 hours remaining, 207.531250 MB of memory in use. ENERGY: 3543400 738.2606 2084.4784 1940.1096 115.9137 -206710.1586 17949.4031 0.0000 0.0000 33936.0011 -149945.9922 296.3715 -183881.9932 -149854.8523 296.7726 -117.1838 -86.0619 557878.8679 3.9124 3.8705 PRESSURE: 3543600 -28.6759 -86.2407 103.783 -86.2415 112.191 -43.8964 103.783 -43.8967 166.619 GPRESSURE: 3543600 5.56571 -64.3215 162.817 -64.0862 144.518 -21.6047 27.9595 -96.8192 182.506 PRESSAVG: 3543600 27.0846 -14.7066 -12.7155 -14.7067 -37.0917 69.0529 -12.7155 69.0529 35.8826 GPRESSAVG: 3543600 27.8541 -14.3948 -12.7442 -14.3022 -37.5945 67.2748 -9.93017 69.4151 35.9399 TIMING: 3543600 CPU: 10664.4, 0.00298023/step Wall: 10664.4, 0.00298023/step, 1.20567 hours remaining, 207.531250 MB of memory in use. ENERGY: 3543600 770.0158 2067.4974 1954.3293 118.0135 -206783.7899 17978.1694 0.0000 0.0000 34077.4678 -149818.2968 297.6070 -183895.7646 -149715.2448 296.9392 83.3781 110.8633 556397.2686 8.6252 8.7332 PRESSURE: 3543800 5.13974 3.85858 84.4226 3.85803 -198.565 15.8713 84.4224 15.871 -56.4287 GPRESSURE: 3543800 29.9226 -0.467202 82.2631 111.952 -122.697 47.0249 99.258 27.9392 -59.4788 PRESSAVG: 3543800 -24.9546 -4.21023 54.0718 -4.21019 44.417 -47.8213 54.0719 -47.8212 30.7558 GPRESSAVG: 3543800 -26.0462 -6.21519 52.3568 -2.37097 45.2836 -46.0228 51.3547 -48.5046 31.2245 TIMING: 3543800 CPU: 10665, 0.0029903/step Wall: 10665, 0.0029903/step, 1.20958 hours remaining, 207.531250 MB of memory in use. ENERGY: 3543800 736.3751 2041.4235 1959.9031 97.8116 -206520.6913 17809.4528 0.0000 0.0000 34152.3829 -149723.3423 298.2613 -183875.7252 -149625.3939 297.8844 -83.2846 -50.7509 557847.1007 16.7394 16.8206 PRESSURE: 3544000 85.6684 -57.5653 -105.895 -57.5654 -2.76996 59.7553 -105.895 59.7552 81.0284 GPRESSURE: 3544000 88.8236 -118.779 -18.0491 -44.3038 46.6681 143.715 -158.294 7.70699 119.757 PRESSAVG: 3544000 -22.3945 -13.7693 -48.1105 -13.7693 -21.5394 -20.6215 -48.1105 -20.6215 54.2546 GPRESSAVG: 3544000 -22.5257 -14.3825 -44.5193 -13.4461 -21.1181 -21.4082 -48.0834 -19.9608 53.3272 TIMING: 3544000 CPU: 10665.6, 0.00298024/step Wall: 10665.6, 0.00298024/step, 1.20534 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: 3544000 740.8296 2116.4107 1932.7216 115.6024 -206325.4730 17856.2442 0.0000 0.0000 33928.9148 -149634.7496 296.3097 -183563.6645 -149538.5085 297.9440 54.6423 85.0831 557560.0655 3.4403 3.2278 PRESSURE: 3544200 -309.488 75.7415 77.0598 75.7418 -160.282 78.0457 77.0593 78.0472 31.3313 GPRESSURE: 3544200 -326.001 88.0132 81.974 76.8681 -47.5518 25.8286 82.0319 89.8443 29.9112 PRESSAVG: 3544200 12.763 -8.25982 4.75505 -8.25986 21.5925 43.0076 4.75504 43.0076 -18.9188 GPRESSAVG: 3544200 12.7694 -4.08805 3.28447 -10.1003 20.8784 42.9027 5.23653 41.7048 -17.7042 TIMING: 3544200 CPU: 10666.2, 0.00299391/step Wall: 10666.2, 0.00299391/step, 1.2107 hours remaining, 207.531250 MB of memory in use. ENERGY: 3544200 746.3465 2056.8649 1955.4386 109.4055 -206247.2373 17585.2195 0.0000 0.0000 34343.3686 -149450.5937 299.9292 -183793.9622 -149356.4562 298.2197 -146.1462 -114.5471 557793.5777 5.1455 5.3145 LDB: ============= START OF LOAD BALANCING ============== 10669.7 LDB: ============== END OF LOAD BALANCING =============== 10669.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10669.7 LDB: ============= START OF LOAD BALANCING ============== 10670 LDB: Largest compute 4802 load 0.028025 is 23.7% of average load 0.118201 LDB: Average compute 0.001721 is 1.5% of average load 0.118201 LDB: TIME 10670 LOAD: AVG 0.118201 MAX 0.203561 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.43 MB LDB: TIME 10670 LOAD: AVG 0.118201 MAX 0.203561 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.633 MB LDB: TIME 10670 LOAD: AVG 0.118201 MAX 0.203561 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.633 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10670.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10670.1 PRESSURE: 3544400 -159.68 -67.9703 -23.0016 -67.9711 -261.497 218.512 -23.0007 218.514 174.569 GPRESSURE: 3544400 -166.707 -206.992 -40.8483 -53.644 -188.361 245.991 -10.3126 158.011 196.282 PRESSAVG: 3544400 -56.5519 2.96569 16.8809 2.96571 7.73502 -49.0319 16.8809 -49.0319 25.034 GPRESSAVG: 3544400 -56.255 -0.790126 16.7215 1.48717 8.35321 -48.7876 17.0955 -48.6823 24.1894 TIMING: 3544400 CPU: 10666.8, 0.00303574/step Wall: 10666.8, 0.00303574/step, 1.22745 hours remaining, 210.480469 MB of memory in use. ENERGY: 3544400 711.4285 2111.9966 1944.7125 108.0407 -206182.3452 17623.8751 0.0000 0.0000 34196.9506 -149485.3413 298.6505 -183682.2918 -149391.0998 299.0234 -82.2027 -52.9289 558143.3091 -7.9276 -7.9041 PRESSURE: 3544600 -213.819 53.6736 25.1046 53.6748 59.0609 -176.161 25.1059 -176.162 51.3958 GPRESSURE: 3544600 -155.042 56.8062 8.78901 16.649 28.5134 -141.54 -34.848 -203.187 109.587 PRESSAVG: 3544600 -57.8725 -12.7438 15.5403 -12.7439 13.9043 -45.9091 15.5403 -45.9091 52.8824 GPRESSAVG: 3544600 -58.6953 -11.1509 14.4116 -11.2047 13.264 -45.8186 15.9514 -43.9904 53.6181 TIMING: 3544600 CPU: 10667.4, 0.00296647/step Wall: 10667.4, 0.00296647/step, 1.19928 hours remaining, 210.480469 MB of memory in use. ENERGY: 3544600 734.4011 2074.1284 1964.4799 117.3759 -206352.6459 17773.4539 0.0000 0.0000 34213.5040 -149475.3028 298.7950 -183688.8067 -149384.5264 298.9677 -34.4541 -5.6470 557759.3681 2.9714 2.7289 PRESSURE: 3544800 -134.752 26.7414 43.0209 26.7398 -264.46 -79.0728 43.0197 -79.0727 -206.145 GPRESSURE: 3544800 -161.553 118.336 52.5831 21.137 -187.45 -73.0443 -16.942 -69.5095 -165.297 PRESSAVG: 3544800 -96.9206 -22.757 11.3966 -22.757 -18.232 -69.8204 11.3966 -69.8204 81.9477 GPRESSAVG: 3544800 -96.5757 -21.5854 10.8891 -22.6823 -17.8651 -71.6957 11.1457 -71.0699 81.3216 TIMING: 3544800 CPU: 10668, 0.00296423/step Wall: 10668, 0.00296423/step, 1.19821 hours remaining, 210.480469 MB of memory in use. ENERGY: 3544800 779.8785 2079.3302 1929.1109 108.5198 -206134.0449 17575.6239 0.0000 0.0000 34299.5672 -149362.0144 299.5467 -183661.5816 -149268.1998 298.2495 -201.7855 -171.4334 556653.5944 -11.0683 -11.0397 PRESSURE: 3545000 -97.7652 161.618 41.8902 161.619 127.39 150.728 41.8904 150.727 66.0854 GPRESSURE: 3545000 -47.936 118.473 4.37193 138.848 172.491 125.845 64.6246 167.787 62.6178 PRESSAVG: 3545000 3.62475 -44.9746 -7.74316 -44.9746 -12.4027 67.1663 -7.74312 67.1664 65.7808 GPRESSAVG: 3545000 2.80492 -47.1957 -5.73724 -45.181 -11.416 68.1902 -9.19671 67.5498 65.7587 TIMING: 3545000 CPU: 10668.6, 0.00293931/step Wall: 10668.6, 0.00293931/step, 1.18797 hours remaining, 210.480469 MB of memory in use. ENERGY: 3545000 741.8713 2071.5483 1936.9873 122.1228 -206321.9893 17869.7910 0.0000 0.0000 34211.6170 -149368.0515 298.7786 -183579.6686 -149268.9794 298.7413 31.9035 62.3910 557176.7681 19.0010 19.0492 PRESSURE: 3545200 -295.322 -156.69 -140.805 -156.69 -163.68 -60.405 -140.806 -60.4058 -90.9715 GPRESSURE: 3545200 -300.422 -110.166 -85.3674 -148.158 -156.787 1.79522 -150.418 -110.366 -5.87974 PRESSAVG: 3545200 54.9544 -58.13 -16.7858 -58.1301 -87.0685 80.3684 -16.7858 80.3684 53.4753 GPRESSAVG: 3545200 55.2392 -55.4595 -16.1252 -59.5792 -87.764 79.9167 -17.7111 80.7555 53.7159 TIMING: 3545200 CPU: 10669.2, 0.00295289/step Wall: 10669.2, 0.00295289/step, 1.1933 hours remaining, 210.480469 MB of memory in use. ENERGY: 3545200 723.1497 2054.0164 1958.7961 103.0876 -206082.7271 17592.4685 0.0000 0.0000 34203.9517 -149447.2571 298.7116 -183651.2088 -149346.1980 299.0675 -183.3245 -154.3629 557844.4837 7.1204 7.0637 PRESSURE: 3545400 221.511 43.565 -147.319 43.5647 8.00871 -77.5422 -147.32 -77.5428 210.388 GPRESSURE: 3545400 244.898 25.1703 -195.516 47.6619 94.2879 -117.957 -176.655 -21.8325 179.693 PRESSAVG: 3545400 -17.8542 -43.8426 -39.8395 -43.8426 47.7049 22.0196 -39.8394 22.0196 -17.969 GPRESSAVG: 3545400 -17.2341 -44.232 -43.1936 -43.1756 46.5937 21.8991 -37.8393 24.0147 -17.457 TIMING: 3545400 CPU: 10669.8, 0.00295087/step Wall: 10669.8, 0.00295087/step, 1.19232 hours remaining, 210.480469 MB of memory in use. ENERGY: 3545400 753.5882 2121.6051 1951.5666 109.8002 -206640.0646 18208.3084 0.0000 0.0000 34215.1138 -149280.0822 298.8091 -183495.1960 -149183.1250 298.6928 146.6357 172.9594 557306.5424 3.9605 3.9675 PRESSURE: 3545600 -192.49 -89.9674 -213.801 -89.9658 94.0353 20.9048 -213.801 20.9036 -293.542 GPRESSURE: 3545600 -217.525 -18.09 -181.189 -94.0104 134.535 -91.7091 -225.797 -56.0957 -225.78 PRESSAVG: 3545600 -51.1384 -23.257 -86.3627 -23.257 31.893 -19.1788 -86.3628 -19.1786 47.7227 GPRESSAVG: 3545600 -50.5673 -23.6087 -84.9119 -23.5078 32.7018 -19.7164 -86.2004 -20.6452 46.6973 TIMING: 3545600 CPU: 10670.4, 0.0029436/step Wall: 10670.4, 0.0029436/step, 1.18921 hours remaining, 210.480469 MB of memory in use. ENERGY: 3545600 711.0240 2085.7980 1956.1471 103.4038 -205943.7970 17604.9612 0.0000 0.0000 34264.2844 -149218.1785 299.2385 -183482.4629 -149120.6974 299.1527 -130.6655 -102.9230 558833.7604 9.4924 9.6106 PRESSURE: 3545800 17.7502 -41.2376 -7.61124 -41.2357 143.812 72.0361 -7.61177 72.0362 -189.371 GPRESSURE: 3545800 57.7675 48.6758 -49.0069 -119.217 227.203 33.2898 -75.3449 47.1846 -211.689 PRESSAVG: 3545800 -55.9277 -49.8496 -72.2272 -49.8495 75.3532 -15.662 -72.2272 -15.6621 -22.7401 GPRESSAVG: 3545800 -55.4965 -49.8775 -72.3425 -50.258 73.1884 -13.7994 -72.0485 -17.234 -21.2845 TIMING: 3545800 CPU: 10671, 0.00297265/step Wall: 10671, 0.00297265/step, 1.20079 hours remaining, 210.480469 MB of memory in use. ENERGY: 3545800 707.0501 2066.9545 1917.4332 122.9046 -205981.8137 17823.3514 0.0000 0.0000 34273.9276 -149070.1923 299.3227 -183344.1199 -148976.5310 299.6626 -9.2697 24.4271 559865.5419 -1.1048 -1.1975 PRESSURE: 3546000 -68.3308 76.4391 -112.118 76.439 89.1651 69.3928 -112.116 69.393 45.0287 GPRESSURE: 3546000 12.6107 105.083 -103.362 87.313 92.6513 59.2502 -100.776 11.8738 50.2977 PRESSAVG: 3546000 -8.27545 -9.29246 -42.9256 -9.29241 -35.4194 35.3473 -42.9256 35.3473 31.7864 GPRESSAVG: 3546000 -8.471 -7.63713 -42.9975 -8.9295 -33.4279 35.3181 -43.3559 35.0404 30.1796 TIMING: 3546000 CPU: 10671.6, 0.00300521/step Wall: 10671.6, 0.00300521/step, 1.21377 hours remaining, 210.480469 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: 3546000 752.3000 2054.5167 1927.4916 106.5437 -206026.9952 17678.9539 0.0000 0.0000 34528.9916 -148978.1978 301.5503 -183507.1894 -148874.8289 299.6143 21.9543 51.8533 556587.9246 -3.9695 -3.9064 PRESSURE: 3546200 -77.5125 -99.1101 -57.6406 -99.1095 3.51402 9.31423 -57.6405 9.31493 -162.945 GPRESSURE: 3546200 -31.3574 -29.8046 -54.6218 -54.5976 6.35073 10.6978 -32.7268 36.3961 -121.513 PRESSAVG: 3546200 0.674707 29.7206 -15.8801 29.7205 19.1485 33.2425 -15.8801 33.2424 4.98968 GPRESSAVG: 3546200 -0.389767 27.2761 -17.1331 31.1915 20.6913 34.5265 -14.4224 33.1977 5.09994 TIMING: 3546200 CPU: 10672.2, 0.00299688/step Wall: 10672.2, 0.00299688/step, 1.21024 hours remaining, 210.480469 MB of memory in use. ENERGY: 3546200 809.0721 2091.8234 1951.2865 119.6440 -206314.1111 17806.7872 0.0000 0.0000 34591.5214 -148943.9765 302.0964 -183535.4979 -148843.7654 300.2101 -78.9812 -48.8398 556938.2999 8.2710 8.4672 PRESSURE: 3546400 -18.2109 69.5861 -192.202 69.5871 -120.135 -36.8324 -192.201 -36.8331 -166.338 GPRESSURE: 3546400 33.4965 84.1062 -149.38 34.4059 -96.3747 -87.9002 -160.537 -33.642 -135.782 PRESSAVG: 3546400 -44.2267 -6.72519 -28.2421 -6.72511 23.4706 59.5281 -28.2421 59.528 -20.2182 GPRESSAVG: 3546400 -43.7797 -5.43249 -25.7331 -10.7734 21.8893 56.9619 -29.683 61.5145 -18.7057 TIMING: 3546400 CPU: 10672.8, 0.00300172/step Wall: 10672.8, 0.00300172/step, 1.21203 hours remaining, 210.480469 MB of memory in use. ENERGY: 3546400 739.8315 2067.7453 1950.9227 127.9228 -205984.2235 17688.8145 0.0000 0.0000 34350.0777 -149058.9089 299.9878 -183408.9867 -148958.5525 299.7406 -101.5615 -66.2199 557834.5118 -13.6581 -13.5320 PRESSURE: 3546600 -247.364 72.6088 -142.546 72.6088 -106.192 -81.889 -142.546 -81.8887 -17.145 GPRESSURE: 3546600 -203.348 71.2294 -150.592 106.401 -30.3841 -9.38049 -55.6144 -52.1356 -36.9687 PRESSAVG: 3546600 -71.4915 54.5893 0.620536 54.5893 50.4905 29.8392 0.620499 29.8393 -25.0333 GPRESSAVG: 3546600 -71.6654 52.5987 -0.145718 57.3252 50.9562 31.1623 1.49656 28.652 -25.5013 TIMING: 3546600 CPU: 10673.4, 0.00296825/step Wall: 10673.4, 0.00296825/step, 1.19835 hours remaining, 210.480469 MB of memory in use. ENERGY: 3546600 749.7257 2130.0736 1949.9575 101.2589 -206050.1530 17631.2008 0.0000 0.0000 34501.4885 -148986.4479 301.3101 -183487.9364 -148884.0192 300.4299 -123.5670 -90.2338 556342.6907 -15.3448 -15.4035 PRESSURE: 3546800 76.7999 8.73833 173.16 8.73642 71.755 -19.1766 173.16 -19.1747 107.52 GPRESSURE: 3546800 165.287 -12.2443 146.299 28.3513 107.689 -92.6901 137.39 -13.1902 63.7114 PRESSAVG: 3546800 -18.181 51.5438 37.2684 51.5437 23.1865 -20.6447 37.2684 -20.6446 16.5037 GPRESSAVG: 3546800 -18.2028 51.3425 36.8027 51.0655 23.4507 -19.2311 35.4403 -20.4462 16.1868 TIMING: 3546800 CPU: 10674, 0.0029705/step Wall: 10674, 0.0029705/step, 1.19909 hours remaining, 210.480469 MB of memory in use. ENERGY: 3546800 748.8751 2092.0064 1941.3152 101.9579 -206233.8826 17755.6347 0.0000 0.0000 34406.2391 -149187.8541 300.4782 -183594.0933 -149096.1564 299.7289 85.3585 112.2290 555108.2019 7.1697 7.1449 PRESSURE: 3547000 -365.438 42.4541 11.8271 42.4532 -176.551 8.47997 11.8268 8.4805 -144.867 GPRESSURE: 3547000 -361.35 64.4414 31.2013 58.6845 -121.419 26.2645 -8.60549 17.7688 -122.896 PRESSAVG: 3547000 -73.7382 18.4555 -22.3479 18.4555 16.7744 10.5604 -22.3479 10.5603 -12.4836 GPRESSAVG: 3547000 -73.4664 17.8701 -21.6085 18.6843 16.6693 6.6783 -23.8799 13.2035 -12.7982 TIMING: 3547000 CPU: 10674.6, 0.00299492/step Wall: 10674.6, 0.00299492/step, 1.20878 hours remaining, 210.480469 MB of memory in use. ENERGY: 3547000 757.2440 2095.1475 1922.9974 120.9228 -205989.2077 17583.8940 0.0000 0.0000 34339.3389 -149169.6630 299.8940 -183509.0020 -149068.3683 299.4279 -228.9518 -201.8884 558763.8365 -23.1491 -23.1984 PRESSURE: 3547200 -178.343 98.5687 33.2158 98.5702 -279.566 195.82 33.2155 195.82 28.0116 GPRESSURE: 3547200 -160.019 88.478 -6.95245 73.6436 -214.031 224.656 28.5831 205.556 61.2606 PRESSAVG: 3547200 -17.3012 -15.3645 -13.0435 -15.3645 -4.55272 4.68975 -13.0434 4.68971 30.3995 GPRESSAVG: 3547200 -17.2412 -14.9297 -15.0198 -16.1099 -5.12465 6.47624 -10.777 3.17338 30.7776 TIMING: 3547200 CPU: 10675.2, 0.00299187/step Wall: 10675.2, 0.00299187/step, 1.20739 hours remaining, 210.480469 MB of memory in use. ENERGY: 3547200 705.4348 2116.8181 1925.0898 109.8835 -206033.4747 17438.9009 0.0000 0.0000 34381.5194 -149355.8282 300.2624 -183737.3476 -149254.4705 299.4555 -143.2991 -104.2634 554875.8885 2.8485 2.8039 PRESSURE: 3547400 241.471 103.903 -0.125829 103.905 -219.456 98.8525 -0.126751 98.8505 -0.100755 GPRESSURE: 3547400 220.67 96.4874 41.5041 40.0935 -147.364 31.09 -97.6032 56.357 55.0197 PRESSAVG: 3547400 22.1922 13.0734 16.8154 13.0735 -29.4562 26.3483 16.8155 26.3483 11.0744 GPRESSAVG: 3547400 20.4897 13.2358 18.9609 11.6595 -28.869 27.5932 16.2464 25.7877 12.2323 TIMING: 3547400 CPU: 10675.8, 0.00298489/step Wall: 10675.8, 0.00298489/step, 1.2044 hours remaining, 210.683594 MB of memory in use. ENERGY: 3547400 771.4145 2142.8983 1914.8666 97.0861 -206315.1832 17776.1915 0.0000 0.0000 34399.0659 -149213.6603 300.4156 -183612.7262 -149113.7020 299.5974 7.3048 42.7752 555488.1403 1.2701 1.2843 PRESSURE: 3547600 56.0445 33.0089 0.689642 33.0092 -227 268.077 0.690242 268.077 -50.6499 GPRESSURE: 3547600 101.937 103.258 -51.5181 -23.0646 -244.875 194.275 36.0207 258.45 8.08854 PRESSAVG: 3547600 16.6508 -42.9772 -41.6879 -42.9773 -57.8456 49.2442 -41.688 49.2443 34.86 GPRESSAVG: 3547600 16.6719 -42.2725 -42.029 -42.9691 -57.6811 46.9221 -41.8903 49.7521 34.916 TIMING: 3547600 CPU: 10676.4, 0.0029929/step Wall: 10676.4, 0.0029929/step, 1.20747 hours remaining, 210.683594 MB of memory in use. ENERGY: 3547600 766.4261 2125.1774 1944.7600 108.7170 -206090.2282 17710.4754 0.0000 0.0000 34077.0618 -149357.6104 297.6035 -183434.6723 -149257.4926 299.6127 -73.8685 -44.9498 557088.7546 -2.1116 -2.0311 PRESSURE: 3547800 -33.3382 -145.899 81.3939 -145.9 -57.8508 40.1021 81.3951 40.102 -247.082 GPRESSURE: 3547800 -9.656 -200.684 99.8528 -69.22 -52.1239 -52.0117 79.599 147.738 -181.334 PRESSAVG: 3547800 -51.7191 -31.2973 -27.3364 -31.2972 -24.334 45.9689 -27.3364 45.9689 38.5104 GPRESSAVG: 3547800 -50.9295 -32.1593 -27.0288 -31.2164 -24.3667 46.0173 -27.6522 46.4577 37.7538 TIMING: 3547800 CPU: 10677, 0.00297882/step Wall: 10677, 0.00297882/step, 1.20162 hours remaining, 210.683594 MB of memory in use. ENERGY: 3547800 765.1644 2094.2695 1930.9209 109.6966 -206021.5664 17560.1632 0.0000 0.0000 34182.9307 -149378.4212 298.5280 -183561.3519 -149275.7073 299.1160 -112.7569 -81.0380 557011.0495 -12.5142 -12.5141 PRESSURE: 3548000 32.2211 101.272 -114.048 101.272 0.89423 50.2857 -114.048 50.2845 -136.335 GPRESSURE: 3548000 99.9635 94.9363 -72.0721 113.973 3.57731 138.52 -214.935 36.5558 -101.806 PRESSAVG: 3548000 -0.438051 5.54105 -45.1148 5.54089 -9.80125 20.6806 -45.1148 20.6804 27.7282 GPRESSAVG: 3548000 0.305861 6.64147 -45.3477 6.10476 -10.391 23.4918 -44.6004 19.8543 27.1309 TIMING: 3548000 CPU: 10677.5, 0.00296543/step Wall: 10677.5, 0.00296543/step, 1.19606 hours remaining, 210.750000 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: 3548000 768.6301 2083.2993 1964.8198 114.5887 -206415.9124 17995.8874 0.0000 0.0000 34185.6418 -149303.0452 298.5517 -183488.6870 -149215.0075 298.8761 -34.4066 0.5784 557432.3297 5.8296 5.6819 PRESSURE: 3548200 -5.74814 -113.005 -49.513 -113.005 58.5533 -5.77942 -49.5127 -5.77942 -153.43 GPRESSURE: 3548200 20.8249 -79.3644 -22.9145 -96.2827 73.9679 -30.8959 -65.2055 -112.086 -100.727 PRESSAVG: 3548200 42.4248 -18.7095 -18.4146 -18.7096 -46.4921 -1.7121 -18.4146 -1.71228 -4.90838 GPRESSAVG: 3548200 41.8476 -18.5599 -18.6096 -17.4209 -46.007 -0.861193 -18.829 -2.17974 -4.53568 TIMING: 3548200 CPU: 10678.1, 0.00296832/step Wall: 10678.1, 0.00296832/step, 1.19706 hours remaining, 210.750000 MB of memory in use. ENERGY: 3548200 765.5163 2032.9764 1990.8071 120.3085 -206221.0027 17784.3228 0.0000 0.0000 34326.6916 -149200.3799 299.7835 -183527.0715 -149106.7926 298.5651 -33.5417 -1.9781 557228.9942 -2.9919 -2.8984 LDB: ============= START OF LOAD BALANCING ============== 10681.7 LDB: ============== END OF LOAD BALANCING =============== 10681.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10681.7 LDB: ============= START OF LOAD BALANCING ============== 10682 LDB: Largest compute 4773 load 0.028367 is 24.0% of average load 0.118161 LDB: Average compute 0.001722 is 1.5% of average load 0.118161 LDB: TIME 10682 LOAD: AVG 0.118161 MAX 0.2054 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.918 MB LDB: TIME 10682 LOAD: AVG 0.118161 MAX 0.2054 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.922 MB LDB: TIME 10682 LOAD: AVG 0.118161 MAX 0.2054 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.922 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10682 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10682 PRESSURE: 3548400 -123.387 -7.39882 51.2156 -7.39891 -52.3733 -72.957 51.2139 -72.9576 -148.256 GPRESSURE: 3548400 -26.6419 -56.321 47.1021 -12.3436 -14.8211 -179.212 23.4388 -48.8057 -190.788 PRESSAVG: 3548400 3.74979 -5.64853 -33.9819 -5.64858 -9.87991 1.55148 -33.9818 1.55151 -19.9917 GPRESSAVG: 3548400 4.42129 -7.23056 -35.0639 -5.40039 -9.60229 -0.394712 -33.0458 2.96556 -21.1269 TIMING: 3548400 CPU: 10678.7, 0.00302738/step Wall: 10678.7, 0.00302738/step, 1.22071 hours remaining, 208.429688 MB of memory in use. ENERGY: 3548400 708.6673 2023.8482 1944.4555 112.7509 -205944.6206 17638.5181 0.0000 0.0000 34179.4031 -149336.9774 298.4972 -183516.3805 -149238.3891 298.5168 -108.0054 -77.4171 559265.5203 -8.7073 -8.7693 PRESSURE: 3548600 148.092 -13.3356 -95.8402 -13.3358 216.32 120.665 -95.8394 120.664 -129.483 GPRESSURE: 3548600 259.831 -15.338 -128.199 31.5926 165.895 125.752 -99.1153 104.928 -101.404 PRESSAVG: 3548600 -15.0525 -8.81262 -20.0262 -8.81264 79.0116 -31.1355 -20.0263 -31.1354 -27.0003 GPRESSAVG: 3548600 -15.8534 -8.03625 -17.4447 -9.11753 77.525 -31.7286 -21.0121 -32.0077 -24.9372 TIMING: 3548600 CPU: 10679.3, 0.00297043/step Wall: 10679.3, 0.00297043/step, 1.19758 hours remaining, 208.691406 MB of memory in use. ENERGY: 3548600 762.6353 2120.5773 1905.4216 107.9173 -206568.5256 17986.0267 0.0000 0.0000 34512.8613 -149173.0861 301.4094 -183685.9474 -149077.3801 299.0206 78.3094 108.1073 556725.7272 12.3196 12.2448 PRESSURE: 3548800 222.242 5.02488 -110.458 5.02447 -32.1744 33.7406 -110.456 33.7403 -44.9504 GPRESSURE: 3548800 188.505 58.9956 -133.821 -30.8264 52.6999 -25.3236 -158.953 41.0872 -4.3626 PRESSAVG: 3548800 -45.1684 20.6833 -39.1538 20.6834 9.99871 -6.47394 -39.1538 -6.47395 9.12589 GPRESSAVG: 3548800 -44.7159 20.4022 -39.0833 21.7237 10.5282 -5.59388 -40.0546 -5.96202 8.71342 TIMING: 3548800 CPU: 10679.9, 0.00297582/step Wall: 10679.9, 0.00297582/step, 1.19959 hours remaining, 208.691406 MB of memory in use. ENERGY: 3548800 754.6932 2076.6935 1950.6847 129.2270 -206138.1970 17838.2280 0.0000 0.0000 34201.7925 -149186.8780 298.6928 -183388.6705 -149098.4925 299.9228 48.3723 78.9475 557554.6956 -8.6813 -8.4914 PRESSURE: 3549000 -166.346 127.76 -21.2582 127.76 6.91397 55.3932 -21.2582 55.3948 -356.615 GPRESSURE: 3549000 -123.838 99.9336 15.6411 167.39 -6.86522 81.6369 25.619 66.7453 -278.635 PRESSAVG: 3549000 -72.9424 -24.3007 -19.3203 -24.3007 72.7034 21.0339 -19.3203 21.0339 -9.30759 GPRESSAVG: 3549000 -72.1916 -23.9808 -19.5494 -23.9849 72.4987 18.6962 -18.8323 21.7434 -9.54306 TIMING: 3549000 CPU: 10680.5, 0.00298082/step Wall: 10680.5, 0.00298082/step, 1.20144 hours remaining, 208.691406 MB of memory in use. ENERGY: 3549000 746.6117 2091.6724 1945.0004 100.1567 -206279.1323 17716.3166 0.0000 0.0000 34410.2314 -149269.1430 300.5131 -183679.3745 -149175.3691 299.6759 -172.0157 -136.4461 556990.8535 -3.1822 -3.0786 PRESSURE: 3549200 55.0356 28.0927 -250.117 28.0922 -90.866 26.6559 -250.118 26.6555 -1.49904 GPRESSURE: 3549200 78.998 3.00212 -185.808 133.777 -81.3497 44.1166 -205.642 43.8033 58.5705 PRESSAVG: 3549200 -20.6209 -20.7961 -22.0134 -20.7961 89.4606 2.14571 -22.0133 2.14569 -13.8043 GPRESSAVG: 3549200 -22.0073 -23.3035 -21.9878 -19.047 90.1311 4.18036 -21.3316 1.01441 -12.7913 TIMING: 3549200 CPU: 10681.1, 0.00297246/step Wall: 10681.1, 0.00297246/step, 1.1979 hours remaining, 208.691406 MB of memory in use. ENERGY: 3549200 734.9005 2125.2161 1925.5730 117.9089 -205851.2150 17611.3346 0.0000 0.0000 34202.7996 -149133.4822 298.7016 -183336.2818 -149035.8744 299.1374 -12.4432 18.7396 556801.5605 18.3451 18.4442 PRESSURE: 3549400 -180.548 -131.929 60.2908 -131.928 -339.531 -163.095 60.2919 -163.096 -332.913 GPRESSURE: 3549400 -207.123 -206.097 128.272 -74.7312 -271.796 -150.635 -28.3527 -190.204 -279.976 PRESSAVG: 3549400 -28.0911 -13.8669 -2.02848 -13.8668 37.6128 -31.1228 -2.02842 -31.1227 -23.2137 GPRESSAVG: 3549400 -27.5922 -13.6968 -2.08663 -15.7973 37.0418 -30.1836 -1.25829 -31.033 -22.9544 TIMING: 3549400 CPU: 10681.7, 0.00296359/step Wall: 10681.7, 0.00296359/step, 1.19416 hours remaining, 208.691406 MB of memory in use. ENERGY: 3549400 763.0776 2055.5096 1943.9235 109.4984 -205534.0100 17271.6602 0.0000 0.0000 34305.1196 -149085.2211 299.5951 -183390.3407 -148989.4688 299.5329 -284.3306 -252.9650 557561.2031 -4.5640 -4.5016 PRESSURE: 3549600 95.3493 118.051 -65.0528 118.05 172.211 -52.8148 -65.0539 -52.8147 -150.047 GPRESSURE: 3549600 89.1084 154.432 -29.9284 78.6683 239.764 -3.84722 -110.493 -121.368 -119.614 PRESSAVG: 3549600 13.5418 -52.9278 -40.8814 -52.9278 41.9351 -19.7166 -40.8814 -19.7166 -39.777 GPRESSAVG: 3549600 14.1458 -50.3949 -41.1824 -53.7851 42.5145 -19.7202 -44.7462 -18.7813 -40.956 TIMING: 3549600 CPU: 10682.3, 0.00299589/step Wall: 10682.3, 0.00299589/step, 1.20701 hours remaining, 208.691406 MB of memory in use. ENERGY: 3549600 708.5494 2035.8428 1949.2366 117.7594 -205903.1883 17684.2776 0.0000 0.0000 34392.9339 -149014.5885 300.3620 -183407.5225 -148920.3827 299.7587 39.1710 69.7528 557486.4216 5.2333 5.2348 PRESSURE: 3549800 -9.50163 182.197 -54.4002 182.197 162.234 -100.519 -54.4011 -100.52 -310.271 GPRESSURE: 3549800 15.1833 187.217 -47.3968 170.17 160.33 -120.813 -50.2145 -71.6416 -254.791 PRESSAVG: 3549800 -45.9233 24.7196 -56.4519 24.7195 79.3978 21.6307 -56.4519 21.6306 -45.2309 GPRESSAVG: 3549800 -47.0859 24.1773 -56.3377 25.6884 80.1502 21.6877 -54.0424 20.3832 -44.3774 TIMING: 3549800 CPU: 10682.9, 0.00302383/step Wall: 10682.9, 0.00302383/step, 1.2181 hours remaining, 208.691406 MB of memory in use. ENERGY: 3549800 764.2811 2130.2204 1981.7445 115.1330 -206140.9477 17815.9516 0.0000 0.0000 34345.7108 -148987.9063 299.9496 -183333.6171 -148891.9037 300.4721 -52.5131 -26.4259 560182.2253 -3.9188 -3.7710 PRESSURE: 3550000 -93.2972 -197.889 -46.9288 -197.889 102.676 -53.4593 -46.9293 -53.4606 -87.3404 GPRESSURE: 3550000 -113.787 -203.448 7.4044 -158.268 157.944 -20.2169 -49.0926 -48.7252 -27.573 PRESSAVG: 3550000 40.2979 -13.2886 -43.2144 -13.2886 -1.44161 -50.9912 -43.2143 -50.9912 -93.2262 GPRESSAVG: 3550000 40.3186 -14.0245 -43.537 -15.0457 -1.93421 -53.2709 -44.9047 -48.1501 -92.8277 TIMING: 3550000 CPU: 10683.5, 0.0030149/step Wall: 10683.5, 0.0030149/step, 1.21434 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: 3550000 728.8230 2085.8267 1949.7419 117.4085 -206194.3993 17806.5105 0.0000 0.0000 34292.1746 -149213.9140 299.4821 -183506.0887 -149128.9370 299.9088 -25.9872 5.5279 559204.1674 -18.1233 -18.1478 PRESSURE: 3550200 -203.049 -47.0453 18.5985 -47.0445 5.79734 206.253 18.5983 206.253 72.8693 GPRESSURE: 3550200 -213.285 -132.021 21.2003 50.3833 47.4931 121.026 33.3488 168.49 134.822 PRESSAVG: 3550200 27.0651 -9.30297 -36.006 -9.30308 34.9736 36.3977 -36.006 36.3977 -40.0975 GPRESSAVG: 3550200 26.0482 -8.14444 -35.2204 -7.88968 34.9629 37.3888 -33.4021 35.0905 -39.1601 TIMING: 3550200 CPU: 10684.1, 0.00300584/step Wall: 10684.1, 0.00300584/step, 1.21052 hours remaining, 208.691406 MB of memory in use. ENERGY: 3550200 751.0953 2111.4628 1967.0471 118.7482 -206142.4709 17719.4323 0.0000 0.0000 34166.0071 -149308.6781 298.3802 -183474.6852 -149205.2491 298.5107 -41.4609 -10.3236 557596.9803 7.3137 7.2837 PRESSURE: 3550400 153.276 -32.3951 -79.3991 -32.3947 127.336 165.122 -79.3981 165.121 23.2603 GPRESSURE: 3550400 170.952 -77.4731 -54.1066 -16.5872 175.747 216.071 -72.3012 47.3197 64.0078 PRESSAVG: 3550400 -6.96673 4.35905 4.81428 4.35899 30.4785 57.7457 4.81425 57.7457 12.9114 GPRESSAVG: 3550400 -5.60456 4.02321 3.39006 3.16617 30.9098 61 4.73997 56.1394 10.8702 TIMING: 3550400 CPU: 10684.7, 0.00298835/step Wall: 10684.7, 0.00298835/step, 1.20331 hours remaining, 208.691406 MB of memory in use. ENERGY: 3550400 767.4147 2112.0279 1947.2997 106.1964 -206351.6926 17970.5424 0.0000 0.0000 34272.2570 -149175.9544 299.3081 -183448.2115 -149077.9065 299.3814 101.2907 136.9022 557035.4244 12.1411 12.0585 PRESSURE: 3550600 155.22 24.6748 7.91451 24.674 165.91 1.3546 7.91568 1.35309 265.835 GPRESSURE: 3550600 202.59 -3.62309 20.7279 78.1225 178.139 35.6916 -104.969 85.6082 286.55 PRESSAVG: 3550600 16.6381 -32.8407 -19.781 -32.8408 -13.6575 9.37417 -19.781 9.37404 -9.04023 GPRESSAVG: 3550600 16.6322 -32.8213 -18.1829 -31.5686 -13.2887 6.41323 -20.5038 10.2483 -8.85126 TIMING: 3550600 CPU: 10685.3, 0.00298551/step Wall: 10685.3, 0.00298551/step, 1.202 hours remaining, 208.691406 MB of memory in use. ENERGY: 3550600 716.0763 2116.0810 1946.6169 101.7500 -206430.3121 18116.9896 0.0000 0.0000 34079.6353 -149353.1631 297.6259 -183432.7983 -149261.1582 298.5336 195.6548 222.4260 557469.8689 -2.0199 -1.8359 PRESSURE: 3550800 309.59 108.754 -96.3927 108.754 -307.882 -62.6657 -96.3935 -62.6671 15.6272 GPRESSURE: 3550800 360.314 60.3797 -64.6082 98.2304 -290.15 30.4478 -37.8346 -179.541 51.1354 PRESSAVG: 3550800 23.0479 -4.38228 2.19902 -4.38226 -88.3381 16.8349 2.19908 16.835 43.2124 GPRESSAVG: 3550800 23.4378 -3.61074 0.211789 -6.25844 -89.821 19.043 3.1058 15.3084 44.1377 TIMING: 3550800 CPU: 10685.9, 0.00298349/step Wall: 10685.9, 0.00298349/step, 1.20102 hours remaining, 208.691406 MB of memory in use. ENERGY: 3550800 725.9130 2041.2466 1952.8800 104.3355 -206280.2831 17845.4406 0.0000 0.0000 34134.0484 -149476.4191 298.1011 -183610.4674 -149390.6141 298.0488 5.7782 40.4333 557850.3751 -7.3593 -7.4152 PRESSURE: 3551000 -375.736 -70.6709 72.5672 -70.6712 -108.248 -3.66334 72.5675 -3.66204 147.39 GPRESSURE: 3551000 -311.126 -122.053 112.781 -111.24 -56.1849 -60.4682 -16.5895 -44.5923 142.992 PRESSAVG: 3551000 35.4449 -4.11158 19.4648 -4.1116 -52.5369 22.2008 19.4649 22.2007 76.44 GPRESSAVG: 3551000 35.7143 -7.17028 21.3603 -0.984201 -51.4197 19.3045 17.891 24.0182 75.4977 TIMING: 3551000 CPU: 10686.5, 0.00297991/step Wall: 10686.5, 0.00297991/step, 1.19941 hours remaining, 208.691406 MB of memory in use. ENERGY: 3551000 734.6353 2075.1207 1948.6138 116.9393 -206158.9329 17646.3901 0.0000 0.0000 34142.5834 -149494.6503 298.1757 -183637.2337 -149399.7945 298.1577 -112.1980 -74.7729 558398.3716 19.7827 19.9308 PRESSURE: 3551200 -88.4396 29.4524 6.98834 29.4512 68.3228 79.676 6.98787 79.6773 84.0559 GPRESSURE: 3551200 -113.672 102.171 112.815 -79.4933 134.9 120.932 -14.6258 20.3722 139.401 PRESSAVG: 3551200 -28.2335 -45.7483 5.62898 -45.7485 24.8399 37.5505 5.629 37.5505 68.6621 GPRESSAVG: 3551200 -29.2946 -41.7033 4.99383 -47.775 25.4669 39.1701 6.32935 35.8359 69.0219 TIMING: 3551200 CPU: 10687.1, 0.00296424/step Wall: 10687.1, 0.00296424/step, 1.19294 hours remaining, 208.691406 MB of memory in use. ENERGY: 3551200 722.3075 2048.4718 1954.9144 124.5065 -206506.8181 17945.6960 0.0000 0.0000 34104.2057 -149606.7162 297.8405 -183710.9219 -149511.6632 298.1537 21.3130 53.5431 557586.4020 21.7562 21.7314 PRESSURE: 3551400 -79.0763 -70.3702 113.831 -70.3695 -1.96539 100.323 113.832 100.321 164.64 GPRESSURE: 3551400 -1.70962 -41.1719 146.319 -72.7255 2.5191 54.3722 80.6236 93.0266 181.36 PRESSAVG: 3551400 28.781 2.37107 98.0501 2.3711 -3.22464 25.5673 98.0501 25.5673 -20.002 GPRESSAVG: 3551400 28.4032 -0.355824 97.0718 2.79557 -4.67999 23.8672 99.1571 28.1193 -18.1365 TIMING: 3551400 CPU: 10687.7, 0.00296941/step Wall: 10687.7, 0.00296941/step, 1.19486 hours remaining, 208.691406 MB of memory in use. ENERGY: 3551400 730.7902 2006.8114 1946.5758 116.0477 -206596.5859 17913.4802 0.0000 0.0000 34084.8468 -149798.0337 297.6714 -183882.8805 -149705.7668 298.0515 27.8661 60.7231 555935.8563 1.8515 1.8623 PRESSURE: 3551600 -146.612 51.8133 24.075 51.8123 -254.494 113.877 24.0757 113.877 -114.931 GPRESSURE: 3551600 -93.1731 -9.06361 46.7587 97.2419 -261.581 167.604 55.2834 157.415 -55.3866 PRESSAVG: 3551600 40.5878 63.1167 44.343 63.1167 17.9949 1.52842 44.343 1.52842 -56.2694 GPRESSAVG: 3551600 41.35 63.0933 45.3483 64.9764 18.0128 2.0441 44.7402 0.400031 -57.2075 TIMING: 3551600 CPU: 10688.3, 0.00296981/step Wall: 10688.3, 0.00296981/step, 1.19485 hours remaining, 208.691406 MB of memory in use. ENERGY: 3551600 758.7061 2087.9389 1911.9459 101.0521 -206762.6686 17823.5744 0.0000 0.0000 34325.3447 -149754.1066 299.7718 -184079.4513 -149659.1247 298.4707 -172.0121 -136.7137 555729.1828 0.7711 0.7185 PRESSURE: 3551800 -182.836 16.2621 -44.3049 16.261 -136.097 -92.7582 -44.3047 -92.7589 159.604 GPRESSURE: 3551800 -148.604 56.2794 -37.7412 -89.659 -102.559 -69.2644 -41.843 -92.3521 174.677 PRESSAVG: 3551800 -10.9486 10.5526 59.05 10.5526 38.2835 5.69247 59.05 5.69259 12.2134 GPRESSAVG: 3551800 -11.0321 10.8495 59.0468 9.6371 38.0001 8.66244 58.148 3.31858 12.355 TIMING: 3551800 CPU: 10688.9, 0.00297635/step Wall: 10688.9, 0.00297635/step, 1.19732 hours remaining, 208.691406 MB of memory in use. ENERGY: 3551800 773.8456 2064.0856 1933.9064 106.5585 -206643.3475 17786.7482 0.0000 0.0000 34218.0744 -149760.1287 298.8350 -183978.2032 -149663.2406 298.2719 -53.1098 -25.4956 555537.9629 13.1828 13.1077 PRESSURE: 3552000 306.784 63.5178 -85.9141 63.5177 125.364 -60.7346 -85.9138 -60.7364 132.843 GPRESSURE: 3552000 327.2 7.15546 -48.6144 108.815 187.842 -93.3191 -87.45 -48.4416 137.49 PRESSAVG: 3552000 11.8901 10.1298 -20.3528 10.1298 1.21971 -52.7759 -20.3528 -52.7759 2.63875 GPRESSAVG: 3552000 11.3747 11.2481 -20.4723 8.31266 2.09093 -54.964 -20.4002 -51.251 2.67506 TIMING: 3552000 CPU: 10689.5, 0.00298314/step Wall: 10689.5, 0.00298314/step, 1.19989 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: 3552000 727.6495 2045.6451 1936.7055 118.9980 -206878.7203 18150.8169 0.0000 0.0000 34273.1138 -149625.7916 299.3156 -183898.9054 -149530.6777 298.0670 188.3304 217.5106 556385.2619 5.2495 5.3802 PRESSURE: 3552200 -126.658 7.39808 87.1898 7.39794 -6.79406 70.6351 87.1903 70.6345 -399.436 GPRESSURE: 3552200 -79.3399 110.689 52.5768 -52.2403 25.6076 33.5561 84.8768 102.393 -384.344 PRESSAVG: 3552200 27.0829 46.5056 31.5189 46.5056 -15.6789 -34.0892 31.5187 -34.0892 -55.3264 GPRESSAVG: 3552200 27.8924 44.7355 31.6659 48.9605 -15.2083 -36.9745 31.8367 -31.3552 -57.2682 TIMING: 3552200 CPU: 10690.1, 0.00296573/step Wall: 10690.1, 0.00296573/step, 1.19272 hours remaining, 208.691406 MB of memory in use. ENERGY: 3552200 769.6050 2070.3097 1931.5807 103.2560 -206067.7519 17599.4545 0.0000 0.0000 34109.7046 -149483.8413 297.8885 -183593.5459 -149385.4473 298.3136 -177.6292 -146.0254 557989.8627 -14.6408 -14.8614 LDB: ============= START OF LOAD BALANCING ============== 10693.6 LDB: ============== END OF LOAD BALANCING =============== 10693.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10693.6 LDB: ============= START OF LOAD BALANCING ============== 10693.9 LDB: Largest compute 4802 load 0.029114 is 24.6% of average load 0.118184 LDB: Average compute 0.001728 is 1.5% of average load 0.118184 LDB: TIME 10693.9 LOAD: AVG 0.118184 MAX 0.209374 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.617 MB LDB: TIME 10693.9 LOAD: AVG 0.118184 MAX 0.209374 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.82 MB LDB: TIME 10693.9 LOAD: AVG 0.118184 MAX 0.209374 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.82 MB LDB: ============== END OF LOAD BALANCING =============== 10693.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 10693.9 Info: useSync: 0 useProxySync: 0 PRESSURE: 3552400 102.129 -73.5749 69.2442 -73.5741 19.2849 -42.9315 69.2428 -42.9307 -299.573 GPRESSURE: 3552400 86.2579 -107.77 183.025 -75.7124 40.8683 53.5121 21.3412 -92.3484 -205.775 PRESSAVG: 3552400 44.2336 -4.59582 -14.731 -4.59582 35.0605 40.8361 -14.731 40.836 -31.7701 GPRESSAVG: 3552400 44.1853 -4.34548 -14.9184 -5.40803 34.3322 43.7715 -14.1731 39.6686 -30.3373 TIMING: 3552400 CPU: 10690.7, 0.00306319/step Wall: 10690.7, 0.00306319/step, 1.23174 hours remaining, 209.199219 MB of memory in use. ENERGY: 3552400 705.6500 2116.9601 1951.1028 130.3100 -206269.5511 17818.3268 0.0000 0.0000 33938.0865 -149609.1148 296.3898 -183547.2013 -149508.8369 298.1847 -59.3864 -26.2162 557961.2730 15.8413 16.0601 PRESSURE: 3552600 -18.9529 108.171 -110.774 108.171 -300.869 50.7156 -110.775 50.7179 260.258 GPRESSURE: 3552600 5.2512 50.8701 -75.2343 126.702 -224.336 47.3397 -86.7157 84.4002 261.08 PRESSAVG: 3552600 20.1146 17.6362 -44.543 17.6361 -32.5618 4.3266 -44.543 4.32655 39.014 GPRESSAVG: 3552600 20.5663 17.447 -45.0261 16.3365 -32.5306 3.53354 -45.0357 3.60011 38.0504 TIMING: 3552600 CPU: 10691.3, 0.00299479/step Wall: 10691.3, 0.00299479/step, 1.20407 hours remaining, 209.660156 MB of memory in use. ENERGY: 3552600 756.2662 2124.8853 1928.6424 104.8792 -206601.9969 17904.8205 0.0000 0.0000 34115.8733 -149666.6300 297.9424 -183782.5033 -149568.9693 298.0446 -19.8549 13.9982 556994.7587 8.8556 8.6953 PRESSURE: 3552800 -126.94 -151.567 91.8853 -151.566 20.1628 86.2659 91.886 86.2665 -146.865 GPRESSURE: 3552800 -88.9216 -127.213 75.2791 -46.6472 40.4016 230.829 55.1307 -30.624 -95.0015 PRESSAVG: 3552800 44.8573 37.075 -41.3678 37.0751 -89.1357 52.8876 -41.3678 52.8875 67.4541 GPRESSAVG: 3552800 43.8757 39.6692 -41.753 37.2143 -90.0541 54.7087 -41.4274 50.1984 69.2894 TIMING: 3552800 CPU: 10691.9, 0.00298729/step Wall: 10691.9, 0.00298729/step, 1.20089 hours remaining, 209.660156 MB of memory in use. ENERGY: 3552800 773.1416 2092.4572 1941.9461 115.3593 -206564.5263 17821.6064 0.0000 0.0000 34294.3965 -149525.6191 299.5015 -183820.0156 -149428.7858 298.1731 -84.5474 -47.8405 556699.3024 7.7253 7.7037 PRESSURE: 3553000 9.01771 -60.5916 -49.3378 -60.5936 -40.2996 -16.8771 -49.3374 -16.8781 94.7214 GPRESSURE: 3553000 -9.84156 -116.061 24.3061 -53.1266 56.0646 17.0606 -93.0132 -70.4531 121.621 PRESSAVG: 3553000 -3.60098 -8.35692 -20.2204 -8.35701 -34.6325 42.7946 -20.2204 42.7946 10.5767 GPRESSAVG: 3553000 -3.08984 -11.4248 -18.3862 -6.45804 -33.6954 42.2041 -19.612 44.3373 9.17432 TIMING: 3553000 CPU: 10692.5, 0.00297665/step Wall: 10692.5, 0.00297665/step, 1.19645 hours remaining, 209.660156 MB of memory in use. ENERGY: 3553000 762.2276 2110.8896 1958.9712 106.9735 -206488.4292 17806.7534 0.0000 0.0000 34178.0785 -149564.5355 298.4857 -183742.6140 -149467.9006 298.5106 21.1465 55.9482 556065.2059 -9.2189 -9.2036 PRESSURE: 3553200 -190.099 -97.6427 -99.0694 -97.6416 94.1895 180.302 -99.0695 180.302 9.95347 GPRESSURE: 3553200 -85.6068 -57.5961 -215.808 -76.8862 114.33 120.709 -17.8467 246.191 -9.41317 PRESSAVG: 3553200 14.1191 59.654 -35.5127 59.6541 -11.9772 24.7213 -35.5126 24.7213 14.219 GPRESSAVG: 3553200 13.3157 61.5364 -35.0679 57.4889 -13.0412 27.1847 -37.2445 24.9884 15.7171 TIMING: 3553200 CPU: 10693.1, 0.00295548/step Wall: 10693.1, 0.00295548/step, 1.18778 hours remaining, 209.660156 MB of memory in use. ENERGY: 3553200 760.8995 2079.3740 1945.1988 103.3173 -206398.5824 17872.8911 0.0000 0.0000 34366.4302 -149270.4715 300.1306 -183636.9017 -149158.2574 298.8584 -28.6519 6.4368 556337.1797 5.4536 5.3305 PRESSURE: 3553400 -173.942 -19.6087 -78.625 -19.6082 62.1507 -92.3574 -78.6248 -92.3569 -203.574 GPRESSURE: 3553400 -118.68 -43.464 -97.6055 -53.8689 93.6227 -189.464 -74.6241 6.36073 -194.724 PRESSAVG: 3553400 38.3541 7.71819 -5.64796 7.71818 9.76616 37.5709 -5.648 37.5708 -5.14017 GPRESSAVG: 3553400 38.4127 9.10957 -4.50113 8.09598 10.5793 34.1979 -5.8903 39.5768 -5.76504 TIMING: 3553400 CPU: 10693.7, 0.00297541/step Wall: 10693.7, 0.00297541/step, 1.19562 hours remaining, 209.660156 MB of memory in use. ENERGY: 3553400 745.1655 2116.8831 1934.7935 121.0062 -206168.8066 17737.0616 0.0000 0.0000 34235.3149 -149278.5818 298.9855 -183513.8967 -149177.0115 299.5614 -105.1217 -73.2604 558623.6125 14.3267 14.4090 PRESSURE: 3553600 -134.495 65.9698 -197.914 65.9695 -212.303 -104.433 -197.915 -104.432 -116.513 GPRESSURE: 3553600 -56.1629 56.7449 -112.363 -27.519 -202.69 -118.653 -184.896 -106.584 -107.974 PRESSAVG: 3553600 -25.8501 5.05981 -21.9382 5.05979 5.27071 -29.5362 -21.9381 -29.5362 11.5507 GPRESSAVG: 3553600 -25.3514 4.55724 -25.3784 5.04825 5.58428 -28.4896 -20.1159 -31.4831 10.4946 TIMING: 3553600 CPU: 10694.3, 0.00295658/step Wall: 10694.3, 0.00295658/step, 1.18789 hours remaining, 209.660156 MB of memory in use. ENERGY: 3553600 789.0328 2106.7928 1927.8169 105.1895 -206030.0490 17592.2269 0.0000 0.0000 34253.6602 -149255.3299 299.1457 -183508.9901 -149153.5885 299.2719 -154.4368 -122.2756 558193.2511 -3.0095 -3.0908 PRESSURE: 3553800 -188.984 134.35 -2.46527 134.349 -89.1563 -71.4452 -2.46601 -71.4436 -198.7 GPRESSURE: 3553800 -136.338 200.584 -40.1359 104.903 -75.784 -183.897 -0.258569 -2.27721 -171.217 PRESSAVG: 3553800 -56.5141 14.4027 24.0558 14.4027 28.024 57.4911 24.0559 57.4912 -22.0231 GPRESSAVG: 3553800 -56.6064 13.9083 26.0481 13.6137 28.6147 57.0179 23.2413 60.0797 -22.1392 TIMING: 3553800 CPU: 10694.9, 0.00296502/step Wall: 10694.9, 0.00296502/step, 1.19111 hours remaining, 209.789062 MB of memory in use. ENERGY: 3553800 754.9175 2084.3087 1947.4651 121.7254 -205859.6565 17680.5479 0.0000 0.0000 34133.8876 -149136.8043 298.0997 -183270.6919 -149043.6124 299.4982 -158.9468 -127.7797 559097.9510 -16.8377 -16.7103 PRESSURE: 3554000 69.7563 -30.3403 166.305 -30.3395 -102.197 -84.0872 166.305 -84.0859 -215.979 GPRESSURE: 3554000 76.8936 -49.5498 319.897 -8.38955 -92.9343 -51.659 150.587 -107.373 -137.384 PRESSAVG: 3554000 39.4526 30.4583 79.4362 30.4583 9.90014 -24.5168 79.4362 -24.517 -26.0095 GPRESSAVG: 3554000 38.9858 32.0141 79.6938 30.7825 9.27095 -23.4151 78.511 -26.1749 -25.3568 TIMING: 3554000 CPU: 10695.4, 0.00296905/step Wall: 10695.4, 0.00296905/step, 1.19257 hours remaining, 209.789062 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: 3554000 774.4275 2107.7077 1966.8716 119.2182 -205697.5961 17569.3709 0.0000 0.0000 34139.6000 -149020.4001 298.1496 -183160.0002 -148925.7402 299.4051 -82.8064 -51.1416 555916.0942 7.7811 7.6333 PRESSURE: 3554200 11.0229 111.63 -124.278 111.631 -257.772 -102.157 -124.278 -102.159 37.799 GPRESSURE: 3554200 36.1031 106.562 -103.198 109.222 -190.513 -146.432 -164.098 -149.381 41.985 PRESSAVG: 3554200 -12.9002 -24.9698 34.9452 -24.9698 29.4742 -67.1481 34.9451 -67.1479 17.6775 GPRESSAVG: 3554200 -12.3139 -25.8026 31.8781 -24.3269 29.8316 -69.1781 38.0518 -65.8146 17.2627 TIMING: 3554200 CPU: 10696, 0.00299489/step Wall: 10696, 0.00299489/step, 1.20278 hours remaining, 209.789062 MB of memory in use. ENERGY: 3554200 786.5857 2069.6738 1944.3683 112.0468 -205621.1400 17599.8198 0.0000 0.0000 34110.9565 -148997.6891 297.8995 -183108.6456 -148901.0214 299.4459 -69.6501 -37.4751 558225.8119 11.4172 11.5934 PRESSURE: 3554400 28.7761 3.04779 -192.38 3.04746 -86.8558 -14.1103 -192.379 -14.1098 -33.0845 GPRESSURE: 3554400 108.065 -9.94564 -209.289 24.4303 -32.9516 57.7865 -137.476 -78.5924 -59.8201 PRESSAVG: 3554400 13.7857 18.365 -25.5225 18.3649 -7.03124 -67.1836 -25.5225 -67.1837 -47.3131 GPRESSAVG: 3554400 15.3242 18.7288 -23.245 18.5851 -8.41901 -65.4208 -28.319 -70.3929 -47.5318 TIMING: 3554400 CPU: 10696.6, 0.00298408/step Wall: 10696.6, 0.00298408/step, 1.19827 hours remaining, 209.789062 MB of memory in use. ENERGY: 3554400 756.4595 2117.7970 1952.7299 114.0387 -206255.9822 17834.1015 0.0000 0.0000 34479.4269 -149001.4287 301.1174 -183480.8556 -148909.8646 299.3759 -30.3881 5.0977 557492.6377 -13.5195 -13.5422 PRESSURE: 3554600 46.1571 -20.8436 127.563 -20.8449 -203.951 20.1272 127.562 20.1252 -198.779 GPRESSURE: 3554600 31.7482 -0.81687 172.279 -93.8134 -132.984 0.355281 114.552 45.7382 -133.643 PRESSAVG: 3554600 -18.5486 -28.7238 21.1872 -28.7238 -36.0735 -5.85744 21.1871 -5.85748 69.1216 GPRESSAVG: 3554600 -19.791 -27.9471 22.1522 -30.6686 -35.1718 -5.64193 22.7918 -3.95858 69.6477 TIMING: 3554600 CPU: 10697.2, 0.0029773/step Wall: 10697.2, 0.0029773/step, 1.19539 hours remaining, 209.789062 MB of memory in use. ENERGY: 3554600 738.2486 2073.2022 1957.9614 106.9805 -205734.4401 17662.9495 0.0000 0.0000 34303.9074 -148891.1904 299.5846 -183195.0978 -148794.2287 300.0374 -118.8574 -78.2931 559718.7130 4.8332 4.8950 PRESSURE: 3554800 35.4899 142.628 -125.159 142.626 168.987 -80.925 -125.16 -80.9268 -63.3011 GPRESSURE: 3554800 97.8069 128.371 -138.323 114.838 179.404 -54.4098 -162.775 -121.84 -48.3791 PRESSAVG: 3554800 -47.6688 22.435 42.7944 22.435 -33.2902 -73.767 42.7944 -73.767 65.8977 GPRESSAVG: 3554800 -47.6338 20.905 42.789 23.6291 -33.0353 -72.6248 43.0342 -73.9563 65.4386 TIMING: 3554800 CPU: 10697.8, 0.00297685/step Wall: 10697.8, 0.00297685/step, 1.19504 hours remaining, 209.789062 MB of memory in use. ENERGY: 3554800 762.1078 2076.6435 1931.9452 116.4028 -205797.3683 17688.9740 0.0000 0.0000 34293.3624 -148927.9327 299.4925 -183221.2951 -148831.1315 299.2024 47.0587 76.2771 557447.6014 -5.0205 -5.0768 PRESSURE: 3555000 -346.876 -152.341 -117.42 -152.341 -55.3474 199.291 -117.42 199.292 -41.8977 GPRESSURE: 3555000 -285.762 -138.752 -136.076 -133.369 -46.7313 251.2 -89.3517 236.635 -15.6469 PRESSAVG: 3555000 -29.545 9.8636 14.4256 9.86365 38.5855 -18.5834 14.4256 -18.5833 26.8651 GPRESSAVG: 3555000 -29.1323 8.67292 14.1408 10.8044 38.2582 -20.9019 13.5399 -16.5787 27.1002 TIMING: 3555000 CPU: 10698.4, 0.00297376/step Wall: 10698.4, 0.00297376/step, 1.19364 hours remaining, 209.789062 MB of memory in use. ENERGY: 3555000 726.6451 2084.5027 1929.3757 104.6528 -205483.8738 17417.7223 0.0000 0.0000 34289.4408 -148931.5343 299.4582 -183220.9752 -148831.2635 300.3175 -148.0403 -116.0469 557795.7333 11.9686 12.0754 PRESSURE: 3555200 131.167 -27.8293 -69.9691 -27.8288 156.06 26.8199 -69.9674 26.8214 -81.6459 GPRESSURE: 3555200 206.618 50.1243 -107.48 -99.6744 85.252 23.5492 30.0967 30.1565 11.9396 PRESSAVG: 3555200 -13.5615 2.0231 3.36925 2.02312 28.965 -10.4469 3.36935 -10.447 47.7857 GPRESSAVG: 3555200 -14.7129 3.6329 2.33843 0.771742 29.333 -9.48037 5.65827 -13.2235 48.0285 TIMING: 3555200 CPU: 10699, 0.00298017/step Wall: 10699, 0.00298017/step, 1.19604 hours remaining, 209.789062 MB of memory in use. ENERGY: 3555200 735.6900 2113.3162 1924.1189 108.2491 -206345.5728 18008.7635 0.0000 0.0000 34387.6088 -149067.8263 300.3155 -183455.4351 -148969.0118 300.0425 68.5269 101.2697 557227.6325 21.0631 20.8829 PRESSURE: 3555400 15.8408 -57.3101 -39.5099 -57.3096 -153.715 -68.5832 -39.5085 -68.582 169.307 GPRESSURE: 3555400 -24.4307 13.4101 -40.4902 -49.5702 -79.5977 -67.2877 26.4518 -53.9662 232.645 PRESSAVG: 3555400 93.599 -18.2038 -37.7345 -18.2039 -98.1177 34.4463 -37.7345 34.4463 24.3485 GPRESSAVG: 3555400 92.4407 -16.9404 -38.5255 -17.6559 -98.2109 34.704 -38.2947 36.2328 25.3061 TIMING: 3555400 CPU: 10699.6, 0.00295528/step Wall: 10699.6, 0.00295528/step, 1.18589 hours remaining, 209.789062 MB of memory in use. ENERGY: 3555400 771.7313 2098.5712 1944.7301 100.0913 -206131.0428 17798.3684 0.0000 0.0000 34127.9375 -149289.6131 298.0478 -183417.5506 -149196.0507 299.9077 10.4777 42.8723 557274.3378 6.6099 6.5120 PRESSURE: 3555600 -188.186 10.5283 124.301 10.5283 -82.4365 -137.69 124.301 -137.689 3.55891 GPRESSURE: 3555600 -130.763 -31.1586 62.6834 26.2908 -31.4464 -171.615 126.331 -111.107 -9.51065 PRESSAVG: 3555600 -41.1501 -51.0478 -32.4003 -51.0478 -28.0218 37.2313 -32.4003 37.2313 113.463 GPRESSAVG: 3555600 -38.6357 -51.8988 -30.4352 -52.4539 -28.2878 36.5312 -32.1914 35.0382 111.891 TIMING: 3555600 CPU: 10700.2, 0.00297478/step Wall: 10700.2, 0.00297478/step, 1.19355 hours remaining, 209.789062 MB of memory in use. ENERGY: 3555600 736.3631 2081.7529 1942.1076 121.3953 -206122.7422 17710.9116 0.0000 0.0000 34164.7157 -149365.4959 298.3690 -183530.2117 -149266.7897 299.1322 -89.0213 -57.2401 557027.2103 14.7636 14.9892 PRESSURE: 3555800 -103.94 -202.338 -48.341 -202.338 185.427 -14.9569 -48.3415 -14.9571 -240.119 GPRESSURE: 3555800 -64.4013 -179.513 -93.8675 -182.154 193.974 7.07979 -71.5258 -4.4556 -193.971 PRESSAVG: 3555800 -33.6045 1.39065 -44.0789 1.39069 72.123 -31.3938 -44.0788 -31.3938 15.0801 GPRESSAVG: 3555800 -35.0236 1.07571 -44.1758 2.43055 73.2085 -31.3976 -45.4236 -30.4551 14.9074 TIMING: 3555800 CPU: 10700.8, 0.00295658/step Wall: 10700.8, 0.00295658/step, 1.18608 hours remaining, 209.789062 MB of memory in use. ENERGY: 3555800 718.3072 2112.5164 1937.5122 100.5749 -205748.6087 17463.4106 0.0000 0.0000 34092.4272 -149323.8601 297.7376 -183416.2873 -149217.7103 299.3091 -52.8773 -21.4663 556560.8946 17.8662 17.6974 PRESSURE: 3556000 79.7924 175.529 -38.7902 175.527 -161.515 -120.051 -38.7909 -120.05 80.9728 GPRESSURE: 3556000 90.6036 170.444 -13.9955 146.516 -101.674 -148.095 -18.7962 -102.239 107.999 PRESSAVG: 3556000 -15.0436 -30.6732 17.7369 -30.6733 -41.8019 -6.76286 17.7368 -6.76277 54.7805 GPRESSAVG: 3556000 -15.3566 -31.4994 19.759 -29.8005 -42.595 -5.53438 19.8484 -7.50474 56.1122 TIMING: 3556000 CPU: 10701.4, 0.0029903/step Wall: 10701.4, 0.0029903/step, 1.19944 hours remaining, 209.789062 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: 3556000 734.3984 2076.0381 1924.4439 113.8568 -205936.6884 17621.8081 0.0000 0.0000 34182.6357 -149283.5074 298.5255 -183466.1431 -149190.4080 298.7732 -0.2499 32.3095 557927.1298 -0.6884 -0.6132 PRESSURE: 3556200 100.966 -23.1941 -95.9892 -23.1936 20.3793 -19.1028 -95.9892 -19.1011 -24.5647 GPRESSURE: 3556200 94.2492 -64.6748 -83.7063 36.2756 36.229 31.1049 -10.3309 -26.0485 66.5965 PRESSAVG: 3556200 0.0275495 52.1672 13.4839 52.1672 -52.2377 -65.8109 13.4839 -65.8109 74.772 GPRESSAVG: 3556200 0.0415144 49.2369 10.7607 55.4366 -50.9342 -66.2986 12.5952 -65.4915 73.6156 TIMING: 3556200 CPU: 10702, 0.00297675/step Wall: 10702, 0.00297675/step, 1.19384 hours remaining, 209.789062 MB of memory in use. ENERGY: 3556200 753.4884 2057.8477 1948.0323 107.7442 -206567.1535 17989.6937 0.0000 0.0000 34400.8923 -149309.4550 300.4315 -183710.3473 -149206.5165 299.0992 32.2602 65.6916 554745.7786 7.5206 7.5743 LDB: ============= START OF LOAD BALANCING ============== 10705.5 LDB: ============== END OF LOAD BALANCING =============== 10705.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10705.5 LDB: ============= START OF LOAD BALANCING ============== 10705.8 LDB: Largest compute 4802 load 0.028211 is 23.9% of average load 0.118163 LDB: Average compute 0.001722 is 1.5% of average load 0.118163 LDB: TIME 10705.8 LOAD: AVG 0.118163 MAX 0.207174 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.941 MB LDB: TIME 10705.8 LOAD: AVG 0.118163 MAX 0.207174 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.941 MB LDB: TIME 10705.8 LOAD: AVG 0.118163 MAX 0.207174 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.941 MB LDB: ============== END OF LOAD BALANCING =============== 10705.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10705.8 PRESSURE: 3556400 8.07136 -134.249 159.925 -134.249 -199.528 -46.0043 159.924 -46.0055 139.726 GPRESSURE: 3556400 45.2517 -46.4455 201.694 -220.17 -109.623 -104.597 74.6985 -4.12809 116.879 PRESSAVG: 3556400 12.2022 -47.4541 -59.2577 -47.4541 -23.3198 -43.1663 -59.2578 -43.1663 67.8909 GPRESSAVG: 3556400 12.7924 -46.2379 -59.5811 -48.7397 -23.0314 -42.8728 -59.9888 -42.2572 66.903 TIMING: 3556400 CPU: 10702.6, 0.00304236/step Wall: 10702.6, 0.00304236/step, 1.21999 hours remaining, 209.199219 MB of memory in use. ENERGY: 3556400 735.7318 2038.5324 1925.9656 114.9798 -206237.4648 17810.3799 0.0000 0.0000 34426.8457 -149185.0296 300.6582 -183611.8753 -149087.6817 299.5207 -17.2436 17.5025 556911.8303 18.9244 18.8880 PRESSURE: 3556600 -24.3729 9.92758 -53.7225 9.92768 46.5818 -68.4256 -53.7216 -68.4252 3.8699 GPRESSURE: 3556600 21.5725 -21.6042 45.851 -10.0476 23.9549 -92.3322 -8.73511 -73.8818 81.0148 PRESSAVG: 3556600 19.4918 -79.6538 -28.2111 -79.6539 54.4654 5.82598 -28.2111 5.82605 -52.6945 GPRESSAVG: 3556600 19.8876 -78.2387 -24.9733 -81.6782 53.2995 6.45509 -28.8635 4.58258 -51.7013 TIMING: 3556600 CPU: 10703.2, 0.00297305/step Wall: 10703.2, 0.00297305/step, 1.19203 hours remaining, 209.402344 MB of memory in use. ENERGY: 3556600 751.7146 2116.5329 1927.0114 114.7346 -206023.9069 17674.3366 0.0000 0.0000 34320.1520 -149119.4248 299.7264 -183439.5768 -149017.7675 299.7724 8.6929 42.1808 556547.3045 7.0876 7.1619 PRESSURE: 3556800 10.3042 45.5877 94.6253 45.5872 -28.3539 90.9818 94.624 90.982 -222.094 GPRESSURE: 3556800 104.124 104.371 97.3409 -16.6393 -11.7759 70.0435 73.0819 94.5476 -220.594 PRESSAVG: 3556800 20.1469 27.6243 -100.881 27.6243 82.0371 -3.10687 -100.881 -3.10687 -79.1929 GPRESSAVG: 3556800 20.3717 26.382 -102.782 28.2683 81.9801 -4.23428 -97.6859 -1.56857 -79.5547 TIMING: 3556800 CPU: 10703.8, 0.00295998/step Wall: 10703.8, 0.00295998/step, 1.18662 hours remaining, 209.402344 MB of memory in use. ENERGY: 3556800 729.6252 2090.3731 1944.7107 108.2181 -205900.2122 17666.6225 0.0000 0.0000 34239.6546 -149121.0080 299.0234 -183360.6626 -149025.2532 299.2371 -80.0480 -42.7486 559009.6821 7.6637 7.5991 PRESSURE: 3557000 -127.945 -52.4626 68.9683 -52.4627 -78.8892 44.9919 68.9668 44.9921 -330.835 GPRESSURE: 3557000 -106.588 -71.5141 -0.417825 -131.491 -47.9001 13.9409 134.483 -9.30742 -292.414 PRESSAVG: 3557000 -25.929 35.2886 -76.7714 35.2887 43.877 -19.066 -76.7715 -19.066 -52.752 GPRESSAVG: 3557000 -28.1207 38.3064 -75.9372 32.6608 44.8815 -19.2905 -78.5014 -21.0013 -51.6913 TIMING: 3557000 CPU: 10704.4, 0.00296637/step Wall: 10704.4, 0.00296637/step, 1.18902 hours remaining, 209.402344 MB of memory in use. ENERGY: 3557000 737.2319 2101.1174 1948.0198 109.2282 -205942.0919 17401.1175 0.0000 0.0000 34320.2311 -149325.1459 299.7271 -183645.3771 -149234.4192 298.9174 -179.2231 -148.9675 557006.4396 -11.6013 -11.6435 PRESSURE: 3557200 -17.4706 206.233 84.6129 206.233 -20.8307 -70.2179 84.6128 -70.2166 134.76 GPRESSURE: 3557200 -2.2125 189.794 195.202 215.53 -31.9938 -16.5796 1.20284 -142.24 230.136 PRESSAVG: 3557200 -75.8372 14.6066 -9.75552 14.6067 30.4434 -6.55555 -9.75558 -6.55551 54.1317 GPRESSAVG: 3557200 -73.729 13.3695 -8.74988 16.4117 29.1206 -5.60061 -10.1502 -4.77074 53.5931 TIMING: 3557200 CPU: 10705, 0.00297885/step Wall: 10705, 0.00297885/step, 1.19386 hours remaining, 209.402344 MB of memory in use. ENERGY: 3557200 763.2056 2186.8011 1945.7477 113.5608 -206620.0903 17907.1476 0.0000 0.0000 34418.9047 -149284.7230 300.5889 -183703.6277 -149191.7425 299.4983 32.1529 65.3100 556821.8324 2.9126 2.9949 PRESSURE: 3557400 -91.6284 -129.683 -6.12683 -129.684 -371.255 3.06822 -6.12614 3.06916 -197.3 GPRESSURE: 3557400 -79.785 -55.3059 -55.0613 -179.634 -297.794 149.331 19.1488 15.7248 -176.862 PRESSAVG: 3557400 -7.3678 -53.5473 31.2939 -53.5474 22.7643 15.1971 31.2939 15.1971 26.1012 GPRESSAVG: 3557400 -8.09307 -50.7892 30.7748 -55.9488 23.9968 14.2444 31.9042 14.9262 25.8371 TIMING: 3557400 CPU: 10705.6, 0.00297763/step Wall: 10705.6, 0.00297763/step, 1.1932 hours remaining, 209.402344 MB of memory in use. ENERGY: 3557400 757.3586 2076.7490 1954.2206 109.5748 -205793.3151 17336.0891 0.0000 0.0000 34190.6899 -149368.6331 298.5958 -183559.3230 -149271.3692 299.0565 -220.0614 -184.8137 557451.5649 13.8326 13.9136 PRESSURE: 3557600 22.5924 195.01 -73.6577 195.008 -20.4293 23.2052 -73.6573 23.2046 -55.0593 GPRESSURE: 3557600 62.6175 174.453 -67.1197 129.785 12.7381 -48.6483 -76.7674 73.1216 -27.0452 PRESSAVG: 3557600 -31.8088 -2.99627 -6.10469 -2.99623 -15.0881 -30.3934 -6.10469 -30.3933 28.122 GPRESSAVG: 3557600 -31.508 -7.23443 -8.18742 0.728228 -14.9197 -30.8828 -6.94858 -29.9849 27.872 TIMING: 3557600 CPU: 10706.2, 0.00299704/step Wall: 10706.2, 0.00299704/step, 1.20081 hours remaining, 209.402344 MB of memory in use. ENERGY: 3557600 726.0804 2077.7246 1934.3060 114.7887 -206273.6206 17756.6670 0.0000 0.0000 34397.6457 -149266.4083 300.4032 -183664.0540 -149169.0663 299.0962 -17.6320 16.1035 556648.7835 -6.2583 -6.1852 PRESSURE: 3557800 -72.24 -112.337 -64.5028 -112.336 192.09 -23.1285 -64.503 -23.1278 -4.64381 GPRESSURE: 3557800 -4.29756 -43.1842 -108.445 -50.7833 221.341 -17.1066 -128.989 -63.0303 2.73639 PRESSAVG: 3557800 24.7604 -16.1519 -7.67467 -16.1518 7.37314 84.695 -7.67462 84.695 8.64716 GPRESSAVG: 3557800 24.3176 -15.342 -6.2296 -18.309 7.91167 86.6014 -7.14726 83.0747 9.27601 TIMING: 3557800 CPU: 10706.8, 0.00298343/step Wall: 10706.8, 0.00298343/step, 1.1952 hours remaining, 209.402344 MB of memory in use. ENERGY: 3557800 757.7747 2096.7859 1937.9526 119.4107 -206525.4823 17942.7599 0.0000 0.0000 34434.5258 -149236.2726 300.7253 -183670.7985 -149138.2392 299.4817 38.4019 73.2599 556231.8649 13.5936 13.8351 PRESSURE: 3558000 23.39 99.8859 -112.291 99.8854 -225.584 92.8305 -112.29 92.8322 -127.119 GPRESSURE: 3558000 73.2635 115.444 -219.763 82.7289 -219.403 165.352 -101.637 -25.5723 -90.0168 PRESSAVG: 3558000 -5.92153 -18.3601 -32.1116 -18.36 -20.4877 14.0438 -32.1116 14.0437 38.7642 GPRESSAVG: 3558000 -5.59824 -16.0058 -32.7889 -19.9891 -20.8708 10.8066 -33.1306 14.1711 38.7784 TIMING: 3558000 CPU: 10707.4, 0.00297499/step Wall: 10707.4, 0.00297499/step, 1.19165 hours remaining, 209.402344 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: 3558000 746.1339 2072.4415 1955.0517 106.1591 -205554.5933 17505.5313 0.0000 0.0000 34126.6316 -149042.6443 298.0364 -183169.2759 -148944.2768 299.4145 -109.7708 -78.7189 557953.3226 4.1183 4.1031 PRESSURE: 3558200 169.907 80.651 -94.3878 80.6514 21.742 47.3474 -94.3879 47.349 -57.1866 GPRESSURE: 3558200 174.671 99.3563 -201.975 61.0518 77.655 74.2524 -33.6099 87.1587 -17.111 PRESSAVG: 3558200 -8.95297 7.02768 1.98851 7.02775 -0.857265 -0.691837 1.98843 -0.69188 -15.3145 GPRESSAVG: 3558200 -8.92603 4.12432 2.97489 9.73436 -0.958668 1.46433 0.519475 -0.46378 -14.6474 TIMING: 3558200 CPU: 10708, 0.00295754/step Wall: 10708, 0.00295754/step, 1.1845 hours remaining, 209.402344 MB of memory in use. ENERGY: 3558200 737.2988 2129.8136 1912.8284 119.8196 -206173.0871 17862.1057 0.0000 0.0000 34417.2273 -148993.9938 300.5742 -183411.2211 -148901.8920 300.3330 44.8208 78.4051 557469.2070 -8.3749 -8.1774 PRESSURE: 3558400 -179.955 9.41148 -78.5274 9.41151 50.1303 -56.3724 -78.5289 -56.372 89.5084 GPRESSURE: 3558400 -163.742 77.7393 -2.30091 -45.6788 52.1521 -67.1163 -170.867 -125.362 158.677 PRESSAVG: 3558400 -29.0719 45.0209 -60.4637 45.021 47.4436 -13.9437 -60.4639 -13.9437 -19.4732 GPRESSAVG: 3558400 -28.1062 44.4602 -60.5665 45.3416 47.1327 -14.7118 -59.4231 -12.8862 -19.822 TIMING: 3558400 CPU: 10708.6, 0.00298272/step Wall: 10708.6, 0.00298272/step, 1.19441 hours remaining, 209.402344 MB of memory in use. ENERGY: 3558400 779.2929 2127.3293 1958.6548 125.9469 -206183.8970 17803.0310 0.0000 0.0000 34209.9712 -149179.6708 298.7642 -183389.6420 -149086.4538 299.8020 -13.4389 15.6954 555660.5729 -0.3672 -0.2652 PRESSURE: 3558600 172.213 -143.055 18.9244 -143.054 -265.272 -20.3167 18.9252 -20.3151 63.9474 GPRESSURE: 3558600 175.165 -69.7342 30.4338 -73.6099 -225.54 -37.123 -25.8077 8.48313 112.046 PRESSAVG: 3558600 54.2029 15.7369 -19.5502 15.737 2.87162 -24.3347 -19.5501 -24.3348 -41.4555 GPRESSAVG: 3558600 53.2415 14.9337 -19.8651 15.6241 3.83801 -24.5552 -17.2189 -27.0785 -41.6336 TIMING: 3558600 CPU: 10709.2, 0.00298597/step Wall: 10709.2, 0.00298597/step, 1.19555 hours remaining, 209.402344 MB of memory in use. ENERGY: 3558600 747.4092 2124.5042 1932.0042 109.8687 -206163.7485 17711.3605 0.0000 0.0000 34342.4653 -149196.1364 299.9213 -183538.6017 -149101.3210 299.6177 -9.7040 20.5573 556155.3179 5.2063 5.1486 PRESSURE: 3558800 -240.155 23.762 25.3231 23.7614 25.4629 13.9466 25.322 13.9458 47.4762 GPRESSURE: 3558800 -170.367 24.5155 63.5763 -11.9861 30.1301 50.1254 -36.2287 -26.7515 76.4928 PRESSAVG: 3558800 -28.948 0.98689 16.1686 0.986899 63.0684 10.7702 16.1685 10.7702 -32.8303 GPRESSAVG: 3558800 -28.9185 3.85873 16.2308 -1.00922 61.8745 12.1849 16.0758 11.5436 -31.6999 TIMING: 3558800 CPU: 10709.8, 0.00300222/step Wall: 10709.8, 0.00300222/step, 1.20189 hours remaining, 209.402344 MB of memory in use. ENERGY: 3558800 750.1483 2113.2032 1942.1304 107.1116 -206339.8871 17773.5149 0.0000 0.0000 34194.2597 -149459.5190 298.6270 -183653.7787 -149358.3015 299.2061 -55.7385 -21.2479 557413.7882 0.4300 0.4187 PRESSURE: 3559000 -123.246 22.9908 113.121 22.9926 25.532 -20.3987 113.121 -20.3976 114.544 GPRESSURE: 3559000 -76.3723 -102.165 170.862 73.1017 35.7961 -66.4691 26.999 42.5666 156.681 PRESSAVG: 3559000 -60.9728 91.6777 44.661 91.6778 -29.443 60.9732 44.6609 60.9733 126.27 GPRESSAVG: 3559000 -59.7144 90.0508 45.0324 93.3076 -31.1647 60.1699 42.7936 59.9444 125.877 TIMING: 3559000 CPU: 10710.4, 0.0029896/step Wall: 10710.4, 0.0029896/step, 1.19667 hours remaining, 209.402344 MB of memory in use. ENERGY: 3559000 743.8130 2040.4256 1957.2275 114.0294 -206500.8741 17970.7349 0.0000 0.0000 34207.2753 -149467.3684 298.7406 -183674.6437 -149377.6099 298.8931 5.6103 38.7017 557265.1098 11.9514 11.6660 PRESSURE: 3559200 291.05 142.731 -36.3662 142.732 -33.6718 95.0276 -36.3667 95.0258 29.6839 GPRESSURE: 3559200 226.359 132.481 -95.7832 156.089 58.533 98.9003 -48.0994 169.708 99.4547 PRESSAVG: 3559200 -30.7616 51.5919 -21.2324 51.592 53.0345 14.3528 -21.2323 14.3527 -57.3192 GPRESSAVG: 3559200 -31.2222 52.048 -21.1364 50.7218 53.9968 14.0919 -22.768 16.2251 -58.0712 TIMING: 3559200 CPU: 10710.9, 0.00298708/step Wall: 10710.9, 0.00298708/step, 1.19549 hours remaining, 209.402344 MB of memory in use. ENERGY: 3559200 726.1323 2095.8537 1934.4484 115.2823 -206587.1474 18066.9244 0.0000 0.0000 34128.5728 -149519.9334 298.0533 -183648.5062 -149426.0086 298.4924 95.6872 128.1156 557255.7093 -11.6821 -11.7655 PRESSURE: 3559400 134.189 -32.6541 92.8843 -32.6535 263.679 173.319 92.8858 173.32 523.377 GPRESSURE: 3559400 153.584 -32.5293 59.3507 -43.9489 303.475 182.738 100.332 184.791 580.9 PRESSAVG: 3559400 44.8333 16.2164 -20.3083 16.2165 -20.82 57.5065 -20.3082 57.5065 -27.2651 GPRESSAVG: 3559400 45.0304 14.5849 -21.1549 16.7378 -20.9556 57.4491 -19.0839 57.2063 -26.8369 TIMING: 3559400 CPU: 10711.5, 0.00299715/step Wall: 10711.5, 0.00299715/step, 1.19936 hours remaining, 209.402344 MB of memory in use. ENERGY: 3559400 756.3615 2054.2907 1933.4777 102.6502 -206982.9661 18384.4317 0.0000 0.0000 34130.0163 -149621.7380 298.0659 -183751.7544 -149528.2944 298.7286 307.0814 345.9865 554886.6394 -1.0839 -0.9207 PRESSURE: 3559600 -298.007 -31.2629 80.8301 -31.2621 187.261 57.4391 80.8297 57.4393 260.283 GPRESSURE: 3559600 -247.488 -61.8805 -53.7716 -53.513 221.791 -15.3234 113.42 17.9291 256.499 PRESSAVG: 3559600 -51.8419 56.7639 8.18806 56.764 -8.59639 48.6722 8.18806 48.6723 -4.96013 GPRESSAVG: 3559600 -51.6365 57.5613 9.98017 56.0898 -8.25316 46.8656 7.01763 49.4342 -4.79694 TIMING: 3559600 CPU: 10712.1, 0.0029558/step Wall: 10712.1, 0.0029558/step, 1.18265 hours remaining, 209.402344 MB of memory in use. ENERGY: 3559600 731.6875 2076.8852 1918.3575 117.2780 -206409.4109 17618.2471 0.0000 0.0000 34202.9822 -149743.9733 298.7032 -183946.9556 -149640.0237 298.2264 49.8458 76.9341 556816.8258 -21.7995 -21.5622 PRESSURE: 3559800 -127.626 -9.67892 -49.1777 -9.68018 -50.7431 81.1598 -49.177 81.161 -38.0541 GPRESSURE: 3559800 -77.4054 -50.4857 2.99604 92.3522 -98.6143 74.0975 -140.915 71.3274 48.0764 PRESSAVG: 3559800 -31.6227 13.0278 -24.8192 13.0279 -21.0676 49.8804 -24.8191 49.8804 59.8084 GPRESSAVG: 3559800 -31.8122 13.1904 -28.113 14.5529 -21.4702 51.1695 -21.7435 49.0477 60.2199 TIMING: 3559800 CPU: 10712.7, 0.00297938/step Wall: 10712.7, 0.00297938/step, 1.19192 hours remaining, 209.402344 MB of memory in use. ENERGY: 3559800 744.4064 2142.0127 1937.3018 114.4707 -206443.8092 17661.8863 0.0000 0.0000 34053.6937 -149790.0377 297.3994 -183843.7313 -149687.1443 297.7897 -72.1411 -42.6478 557777.6209 2.3727 2.3125 PRESSURE: 3560000 121.59 117.053 37.2195 117.052 179.496 207.203 37.2195 207.202 -64.3837 GPRESSURE: 3560000 152.714 162.684 22.5957 64.9006 212.956 222.63 44.2095 92.4506 -12.681 PRESSAVG: 3560000 40.0093 9.65376 -37.8511 9.65374 -25.5529 -4.37402 -37.8511 -4.37394 -7.05649 GPRESSAVG: 3560000 39.5648 11.1554 -37.5704 10.9718 -25.1303 -2.25372 -39.2518 -5.79977 -6.99742 TIMING: 3560000 CPU: 10713.3, 0.00297722/step Wall: 10713.3, 0.00297722/step, 1.19089 hours remaining, 209.402344 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: 3560000 698.3919 2091.8632 1947.6779 116.7003 -206681.6248 17891.2469 0.0000 0.0000 34033.6270 -149902.1176 297.2241 -183935.7446 -149802.9982 298.0636 78.9009 117.6632 556402.9245 2.4666 2.4790 PRESSURE: 3560200 -104.183 -26.76 78.1724 -26.7597 -72.9669 0.32533 78.1732 0.324622 -249.457 GPRESSURE: 3560200 -92.4104 -34.9658 105.11 -75.4744 -24.1977 -15.3432 101.44 17.1097 -225.004 PRESSAVG: 3560200 44.84 11.0431 -15.0225 11.043 -66.4347 -19.3449 -15.0225 -19.345 6.53634 GPRESSAVG: 3560200 44.8145 8.9533 -13.4502 10.0349 -66.7329 -18.8736 -14.9392 -17.7577 7.31413 TIMING: 3560200 CPU: 10713.9, 0.00299335/step Wall: 10713.9, 0.00299335/step, 1.19717 hours remaining, 209.402344 MB of memory in use. ENERGY: 3560200 729.0104 2093.5811 1963.6833 115.9378 -206422.2002 17539.2122 0.0000 0.0000 34063.3857 -149917.3897 297.4840 -183980.7754 -149829.5817 297.3180 -142.2022 -113.8707 556353.4604 -5.0194 -4.8681 LDB: ============= START OF LOAD BALANCING ============== 10717.4 LDB: ============== END OF LOAD BALANCING =============== 10717.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10717.4 LDB: ============= START OF LOAD BALANCING ============== 10717.7 LDB: Largest compute 4802 load 0.028704 is 24.3% of average load 0.118328 LDB: Average compute 0.001726 is 1.5% of average load 0.118328 LDB: TIME 10717.7 LOAD: AVG 0.118328 MAX 0.208913 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.688 MB LDB: TIME 10717.7 LOAD: AVG 0.118328 MAX 0.208913 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.891 MB LDB: TIME 10717.7 LOAD: AVG 0.118328 MAX 0.208913 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.891 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10717.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10717.7 PRESSURE: 3560400 -22.681 0.293954 -1.7436 0.293769 87.3387 143.046 -1.74379 143.047 -85.4108 GPRESSURE: 3560400 11.5105 4.88736 -128.808 -21.3164 91.2771 123.445 32.973 152.549 -32.9056 PRESSAVG: 3560400 3.85014 -26.928 -17.4425 -26.928 41.9268 3.6766 -17.4423 3.67671 -35.5021 GPRESSAVG: 3560400 4.06119 -25.6081 -17.7507 -28.881 41.993 0.460953 -18.19 3.56544 -35.9263 TIMING: 3560400 CPU: 10714.5, 0.00300982/step Wall: 10714.5, 0.00300982/step, 1.20359 hours remaining, 209.710938 MB of memory in use. ENERGY: 3560400 721.5048 2019.0729 1944.6668 110.0987 -206534.7276 17746.7743 0.0000 0.0000 34062.6067 -149930.0032 297.4772 -183992.6100 -149836.1947 296.8406 -6.9177 23.2940 554924.5168 3.4249 3.3760 PRESSURE: 3560600 -182.801 -91.1205 -5.39995 -91.1212 -73.9648 -55.087 -5.40012 -55.0878 -344.549 GPRESSURE: 3560600 -181.314 -126.192 -40.2096 -69.2717 -46.832 -40.6626 -35.6314 -14.2822 -281.822 PRESSAVG: 3560600 76.7077 -61.9017 -62.5907 -61.9016 69.5457 -21.1239 -62.5906 -21.1241 -115.554 GPRESSAVG: 3560600 75.7461 -65.6362 -63.4163 -59.3678 70.5508 -20.208 -62.1364 -20.1635 -116.192 TIMING: 3560600 CPU: 10715.1, 0.0029352/step Wall: 10715.1, 0.0029352/step, 1.17359 hours remaining, 210.171875 MB of memory in use. ENERGY: 3560600 774.0661 2103.5266 1932.8631 103.1278 -206608.4464 17635.0350 0.0000 0.0000 34164.5663 -149895.2613 298.3677 -184059.8277 -149801.2401 297.8545 -200.4384 -169.9894 555202.7611 10.2333 10.0350 PRESSURE: 3560800 -16.9881 204.947 -79.1752 204.945 100.816 62 -79.1758 62.0003 155.481 GPRESSURE: 3560800 45.2516 187.126 -64.5763 228.465 108.416 47.0204 -2.44885 84.7288 182.488 PRESSAVG: 3560800 1.39977 16.5116 -7.36517 16.5116 16.5987 35.7439 -7.36524 35.7438 -10.048 GPRESSAVG: 3560800 1.82885 19.8063 -5.91516 17.432 15.7429 37.8907 -7.19052 34.5666 -10.2756 TIMING: 3560800 CPU: 10715.7, 0.00297793/step Wall: 10715.7, 0.00297793/step, 1.19051 hours remaining, 210.171875 MB of memory in use. ENERGY: 3560800 707.7111 2115.1579 1946.6646 119.2916 -206836.8179 17921.0729 0.0000 0.0000 34196.8437 -149830.0762 298.6495 -184026.9199 -149735.5499 297.5507 79.7697 112.0519 554291.1018 2.6502 2.4320 PRESSURE: 3561000 180.768 108.939 -88.4513 108.939 -171.454 21.9829 -88.4497 21.9838 -160.952 GPRESSURE: 3561000 182.24 86.1621 -41.9788 79.6224 -141.693 -66.0892 -145.942 92.3549 -97.042 PRESSAVG: 3561000 0.456021 69.3083 45.2129 69.3083 46.7237 4.76579 45.2129 4.76572 12.6081 GPRESSAVG: 3561000 0.824345 68.6057 46.2923 66.4078 46.2464 3.25164 45.715 5.83626 12.5161 TIMING: 3561000 CPU: 10716.3, 0.00298808/step Wall: 10716.3, 0.00298808/step, 1.1944 hours remaining, 210.171875 MB of memory in use. ENERGY: 3561000 723.7650 2102.1007 1942.1895 111.1074 -206381.0419 17720.8913 0.0000 0.0000 34063.3218 -149717.6663 297.4835 -183780.9880 -149621.9622 298.0156 -50.5457 -18.8316 556273.4053 19.9293 19.8623 PRESSURE: 3561200 -221.086 -4.02668 65.9307 -4.02641 87.386 -21.0326 65.9302 -21.0329 149.573 GPRESSURE: 3561200 -211.27 -8.43651 -12.7704 -1.5626 186.811 -62.0906 47.9893 -101.151 145.032 PRESSAVG: 3561200 20.432 44.8694 8.38541 44.8694 47.3047 -21.8857 8.38537 -21.8857 -34.7257 GPRESSAVG: 3561200 20.692 43.4264 7.22164 46.8061 47.1293 -21.6067 7.40916 -21.086 -34.5228 TIMING: 3561200 CPU: 10716.9, 0.00298946/step Wall: 10716.9, 0.00298946/step, 1.19479 hours remaining, 210.171875 MB of memory in use. ENERGY: 3561200 793.3805 2059.7096 1958.1727 117.7867 -206140.2054 17542.9651 0.0000 0.0000 34282.6433 -149385.5475 299.3989 -183668.1908 -149291.4555 298.2953 5.2911 40.1906 555559.8218 11.0036 11.0995 PRESSURE: 3561400 -21.0725 72.3011 -95.043 72.302 -178.459 -8.77449 -95.0417 -8.77399 -193.113 GPRESSURE: 3561400 23.8037 18.2987 -119.514 108.787 -139.211 -6.66833 -121.489 13.1611 -181.846 PRESSAVG: 3561400 50.8297 32.6159 25.1013 32.6159 -24.8893 -3.72305 25.1013 -3.72303 -14.0496 GPRESSAVG: 3561400 49.7474 34.7801 26.7432 32.6071 -23.6038 -4.75019 24.0063 -3.328 -14.7039 TIMING: 3561400 CPU: 10717.5, 0.0029718/step Wall: 10717.5, 0.0029718/step, 1.18756 hours remaining, 210.171875 MB of memory in use. ENERGY: 3561400 760.5419 2081.5385 1925.7331 103.8895 -205941.4266 17584.8140 0.0000 0.0000 34339.5107 -149145.3990 299.8955 -183484.9097 -149043.6654 300.0134 -130.8815 -99.0844 556480.6069 3.9636 3.8133 PRESSURE: 3561600 -253.964 129.946 76.9437 129.947 25.808 138.376 76.9429 138.376 -234.202 GPRESSURE: 3561600 -165.491 94.0261 59.1397 139.941 12.0033 105.93 100.294 116.418 -212.271 PRESSAVG: 3561600 77.4665 9.65 -7.87345 9.64989 -41.1001 15.8332 -7.87353 15.8333 13.3812 GPRESSAVG: 3561600 78.4102 6.92425 -10.9765 10.6455 -41.6271 17.7763 -5.2162 14.6796 13.0843 TIMING: 3561600 CPU: 10718.1, 0.00298081/step Wall: 10718.1, 0.00298081/step, 1.191 hours remaining, 210.171875 MB of memory in use. ENERGY: 3561600 759.3576 2111.7361 1918.7611 111.5635 -206148.4984 17740.9933 0.0000 0.0000 34269.1959 -149236.8910 299.2814 -183506.0868 -149145.6990 299.0682 -154.1195 -121.9197 557243.1174 16.5825 16.6225 PRESSURE: 3561800 -15.4676 117.882 27.7841 117.883 4.17071 196.763 27.7841 196.763 -142.803 GPRESSURE: 3561800 16.8048 72.0341 77.2556 127.654 1.95971 203.58 72.2145 191.151 -64.577 PRESSAVG: 3561800 77.7112 -51.0337 -0.312659 -51.0336 -18.955 39.7628 -0.312651 39.7627 -37.3004 GPRESSAVG: 3561800 78.1825 -50.7818 0.326242 -51.5869 -19.9998 38.9454 -0.549749 40.5314 -36.7413 TIMING: 3561800 CPU: 10718.7, 0.00300861/step Wall: 10718.7, 0.00300861/step, 1.20194 hours remaining, 210.171875 MB of memory in use. ENERGY: 3561800 740.5834 2114.5175 1932.5408 117.3058 -206027.7891 17708.2963 0.0000 0.0000 34284.3083 -149130.2370 299.4134 -183414.5452 -149040.4157 299.2821 -51.3666 -15.2708 556943.4317 7.1519 7.1471 PRESSURE: 3562000 -75.241 -66.4608 -49.4468 -66.4606 -206.549 73.726 -49.4461 73.7257 -55.6212 GPRESSURE: 3562000 -73.3915 -116.299 -33.5865 -54.1323 -151.052 96.443 -65.1609 78.8954 -4.36213 PRESSAVG: 3562000 -59.7266 -2.76174 -63.3065 -2.76175 52.4677 67.3883 -63.3066 67.3882 -31.5315 GPRESSAVG: 3562000 -59.6774 0.637852 -63.7461 -2.05329 53.4062 68.5018 -64.9615 65.7577 -32.3115 TIMING: 3562000 CPU: 10719.3, 0.00301601/step Wall: 10719.3, 0.003016/step, 1.20473 hours remaining, 210.171875 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: 3562000 746.1001 2127.3874 1932.4284 109.0559 -205950.5745 17754.6913 0.0000 0.0000 34191.3426 -149089.5687 298.6015 -183280.9113 -148999.3594 299.4128 -112.4705 -76.2686 557783.4964 -12.9301 -12.8609 PRESSURE: 3562200 22.7667 12.4897 52.9907 12.4891 -165.944 -94.8057 52.9899 -94.8046 -24.2293 GPRESSURE: 3562200 35.9937 70.4904 -16.4149 8.86924 -139.017 -98.0032 35.2949 -39.8112 43.1742 PRESSAVG: 3562200 48.1051 -24.8288 -20.8483 -24.8288 -58.7495 -33.0034 -20.8482 -33.0033 50.2702 GPRESSAVG: 3562200 48.0101 -26.3913 -18.7554 -27.7129 -60.6378 -36.1236 -23.3617 -30.6143 51.5591 TIMING: 3562200 CPU: 10719.9, 0.00298571/step Wall: 10719.9, 0.00298571/step, 1.19246 hours remaining, 210.171875 MB of memory in use. ENERGY: 3562200 747.6987 2102.7212 1945.3299 101.5811 -205669.7684 17596.1696 0.0000 0.0000 34059.0957 -149117.1721 297.4466 -183176.2679 -149022.5415 299.4820 -55.8023 -19.9496 556915.4906 13.2086 12.9771 PRESSURE: 3562400 4.69087 15.6591 63.152 15.6596 -129.537 201.894 63.1519 201.895 12.5138 GPRESSURE: 3562400 57.1208 -5.11562 67.2373 15.7498 -98.6535 247.617 35.6776 82.7832 23.7205 PRESSAVG: 3562400 99.6965 -17.2073 24.3173 -17.2073 -106.674 -27.9696 24.3173 -27.9697 10.4599 GPRESSAVG: 3562400 98.1876 -17.4678 22.7373 -13.3753 -105.996 -26.1295 27.012 -28.1087 10.7232 TIMING: 3562400 CPU: 10720.5, 0.00300136/step Wall: 10720.5, 0.00300136/step, 1.19854 hours remaining, 210.171875 MB of memory in use. ENERGY: 3562400 724.1142 2089.2537 1919.0523 102.7581 -206134.9291 17695.0333 0.0000 0.0000 34290.8898 -149313.8277 299.4709 -183604.7175 -149216.4569 299.1248 -37.4440 -5.9374 557010.0235 1.1606 0.9717 PRESSURE: 3562600 148.441 220.03 126.455 220.03 154.833 119.59 126.456 119.589 -74.7877 GPRESSURE: 3562600 163.423 293.305 137.268 217.794 227.425 115.154 48.0168 174.25 -75.4184 PRESSAVG: 3562600 7.5926 10.4115 1.41351 10.4115 -23.5244 -60.5219 1.41353 -60.5219 59.6289 GPRESSAVG: 3562600 8.82001 10.1211 2.92099 7.86383 -23.6992 -60.3796 -1.2565 -60.1939 58.783 TIMING: 3562600 CPU: 10721.1, 0.00300198/step Wall: 10721.1, 0.00300198/step, 1.19862 hours remaining, 210.171875 MB of memory in use. ENERGY: 3562600 747.5585 2106.4100 1918.8143 103.5361 -206550.3609 17911.1624 0.0000 0.0000 34362.6385 -149400.2413 300.0975 -183762.8797 -149298.9635 299.1865 76.1621 105.1433 556538.6459 14.5657 14.6346 PRESSURE: 3562800 -172.366 -37.2056 167.977 -37.2062 -3.79893 177.354 167.978 177.352 23.7738 GPRESSURE: 3562800 -125.42 -21.3488 157.231 -49.3342 25.9344 169.155 128.285 107.405 37.5502 PRESSAVG: 3562800 -14.9172 -41.6653 57.2228 -41.6654 -5.49921 -38.1679 57.2228 -38.168 43.9533 GPRESSAVG: 3562800 -14.7992 -42.6282 57.2218 -40.0672 -5.71219 -39.6144 58.641 -39.9408 44.1391 TIMING: 3562800 CPU: 10721.7, 0.00299582/step Wall: 10721.7, 0.00299582/step, 1.196 hours remaining, 210.171875 MB of memory in use. ENERGY: 3562800 732.3023 2099.2208 1918.7403 107.1857 -206170.7532 17706.0179 0.0000 0.0000 34292.8788 -149314.4075 299.4882 -183607.2862 -149223.0023 299.5886 -50.7972 -20.6451 557354.9477 7.8456 7.8759 PRESSURE: 3563000 161.977 -8.04989 -98.8192 -8.05124 114.934 -179.268 -98.8198 -179.267 -1.24305 GPRESSURE: 3563000 207.644 33.5391 -105.902 -115.851 69.33 -123.329 -129.208 -252.347 94.4707 PRESSAVG: 3563000 26.7992 15.8307 2.26539 15.8306 -15.6097 12.0907 2.26542 12.0907 -37.9824 GPRESSAVG: 3563000 26.9737 17.1065 0.00303936 14.3052 -15.0603 13.3591 4.04183 11.6301 -39.0587 TIMING: 3563000 CPU: 10722.3, 0.00300071/step Wall: 10722.3, 0.00300071/step, 1.19778 hours remaining, 210.171875 MB of memory in use. ENERGY: 3563000 732.7892 2126.6276 1928.0207 119.7379 -206497.1206 17966.8562 0.0000 0.0000 34167.7245 -149455.3644 298.3952 -183623.0889 -149365.2496 298.7307 91.8894 123.8149 557682.7121 -8.9310 -9.0484 PRESSURE: 3563200 -245.032 105.379 -215.704 105.377 116.048 -61.5489 -215.705 -61.549 -104.568 GPRESSURE: 3563200 -208.283 159.092 -246.793 89.8475 117.995 31.6869 -237.789 -68.0157 -57.1204 PRESSAVG: 3563200 -17.7527 7.79571 -26.5859 7.79571 -11.7475 10.2729 -26.5859 10.273 8.05727 GPRESSAVG: 3563200 -18.1968 9.25481 -24.046 8.8974 -11.3446 10.3018 -28.1488 10.219 8.59652 TIMING: 3563200 CPU: 10722.9, 0.00302901/step Wall: 10722.9, 0.00302901/step, 1.20891 hours remaining, 210.171875 MB of memory in use. ENERGY: 3563200 731.0485 2072.4971 1950.1483 106.7083 -206090.6267 17730.9433 0.0000 0.0000 34148.7903 -149350.4909 298.2299 -183499.2812 -149248.8359 298.9103 -77.8506 -49.1361 557714.7045 -7.1476 -6.9816 PRESSURE: 3563400 -26.5311 -25.9781 149.697 -25.9773 -78.1095 -176.47 149.695 -176.471 202.437 GPRESSURE: 3563400 18.6233 -25.2075 128.43 -26.3491 -52.2419 -257.07 125.552 -139.371 212.267 PRESSAVG: 3563400 -22.2521 12.8598 -12.3338 12.8598 -7.73391 -17.2401 -12.3337 -17.2401 17.6972 GPRESSAVG: 3563400 -21.9288 11.4827 -13.6242 11.8703 -8.60725 -19.4188 -11.264 -15.3614 18.0807 TIMING: 3563400 CPU: 10723.5, 0.00301267/step Wall: 10723.5, 0.00301267/step, 1.20222 hours remaining, 210.171875 MB of memory in use. ENERGY: 3563400 770.0707 2132.5475 1937.0085 108.8521 -206611.6008 17847.2097 0.0000 0.0000 34248.5201 -149567.3923 299.1008 -183815.9124 -149472.6221 298.7125 32.5987 59.5495 556090.1028 -4.0963 -4.1518 PRESSURE: 3563600 93.5213 -243.844 -28.2334 -243.843 -15.0036 28.1308 -28.2344 28.131 242.399 GPRESSURE: 3563600 153.499 -274.145 -74.4724 -195.427 36.7965 31.5462 -5.26064 33.3309 232.413 PRESSAVG: 3563600 -1.69172 14.1438 15.1103 14.1438 -3.20678 -37.6197 15.1103 -37.6197 -24.0473 GPRESSAVG: 3563600 -2.53314 14.4934 16.8932 14.2955 -1.87731 -34.941 13.567 -39.5753 -24.6422 TIMING: 3563600 CPU: 10724.1, 0.00296235/step Wall: 10724.1, 0.00296235/step, 1.18198 hours remaining, 210.171875 MB of memory in use. ENERGY: 3563600 746.1146 2025.3823 1924.6394 115.8030 -206473.3788 17892.9752 0.0000 0.0000 34330.3055 -149438.1588 299.8151 -183768.4643 -149346.8965 299.1136 106.9723 140.9029 556837.9922 -9.6486 -9.6842 PRESSURE: 3563800 -19.9798 -249.848 -77.0575 -249.847 -189.699 -85.2859 -77.0582 -85.2856 10.3394 GPRESSURE: 3563800 33.0289 -256.727 -51.7205 -294.48 -162.182 -94.1125 -58.8488 -54.6375 42.6822 PRESSAVG: 3563800 47.9369 -30.7081 -30.8379 -30.7082 -72.8197 5.52752 -30.8379 5.52753 9.32362 GPRESSAVG: 3563800 48.8768 -30.63 -31.9031 -29.8581 -72.8448 5.76571 -30.3658 7.42681 8.53138 TIMING: 3563800 CPU: 10724.7, 0.0029841/step Wall: 10724.7, 0.0029841/step, 1.19049 hours remaining, 210.242188 MB of memory in use. ENERGY: 3563800 725.0591 2128.0975 1923.9936 116.5371 -206327.9576 17896.1116 0.0000 0.0000 34233.5399 -149304.6188 298.9700 -183538.1587 -149211.6273 299.1922 -66.4465 -28.8236 558620.4898 -5.1864 -5.1455 PRESSURE: 3564000 45.4053 103.185 21.1319 103.184 82.3334 -36.353 21.1328 -36.3529 154.678 GPRESSURE: 3564000 131.881 166.421 24.7541 44.9701 138.465 -54.5912 -6.26048 56.7597 116.54 PRESSAVG: 3564000 58.8774 -83.1095 23.5972 -83.1095 -42.7011 0.0962344 23.5972 0.0961923 -7.92996 GPRESSAVG: 3564000 59.3081 -81.2342 23.5758 -84.6335 -42.5291 -0.153687 25.0377 -0.330077 -8.38025 TIMING: 3564000 CPU: 10725.3, 0.00299769/step Wall: 10725.3, 0.00299769/step, 1.19575 hours remaining, 210.242188 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: 3564000 708.4384 2099.4010 1945.4889 115.4887 -206554.7543 18061.6685 0.0000 0.0000 34170.3101 -149453.9587 298.4178 -183624.2687 -149360.9084 299.3678 94.1389 128.9617 558211.3712 2.7488 2.7996 PRESSURE: 3564200 -165.702 -36.2733 160.932 -36.273 -122.233 -55.7045 160.931 -55.7055 20.805 GPRESSURE: 3564200 -195.301 -56.8811 237.08 -78.5661 -29.7439 -29.6254 168.121 -122.448 53.256 PRESSAVG: 3564200 -97.184 -43.2019 -70.3586 -43.2019 -21.7364 -71.0983 -70.3586 -71.0984 90.0612 GPRESSAVG: 3564200 -99.1352 -47.4869 -70.7119 -41.3212 -21.6637 -69.5181 -70.8663 -71.722 91.5942 TIMING: 3564200 CPU: 10725.9, 0.00296523/step Wall: 10725.9, 0.00296523/step, 1.18263 hours remaining, 210.351562 MB of memory in use. ENERGY: 3564200 754.7061 2122.1902 1920.1879 119.0555 -206184.4380 17684.2688 0.0000 0.0000 34064.5003 -149519.5293 297.4938 -183584.0296 -149429.8323 298.4450 -89.0436 -57.2630 557880.1489 -9.6197 -9.7349 LDB: ============= START OF LOAD BALANCING ============== 10729.4 LDB: ============== END OF LOAD BALANCING =============== 10729.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10729.4 LDB: ============= START OF LOAD BALANCING ============== 10729.7 LDB: Largest compute 4802 load 0.029422 is 24.9% of average load 0.118272 LDB: Average compute 0.001720 is 1.5% of average load 0.118272 LDB: TIME 10729.7 LOAD: AVG 0.118272 MAX 0.208507 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.43 MB LDB: TIME 10729.7 LOAD: AVG 0.118272 MAX 0.208507 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: TIME 10729.7 LOAD: AVG 0.118272 MAX 0.208507 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10729.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10729.7 PRESSURE: 3564400 -65.1569 278.235 -66.7755 278.235 -20.171 -35.9887 -66.7775 -35.9893 -287.142 GPRESSURE: 3564400 -21.1774 296.069 -104.201 272.453 3.96665 33.7697 -157.426 -61.1913 -263.621 PRESSAVG: 3564400 11.9985 -25.4826 33.6745 -25.4826 -27.3215 -32.9738 33.6745 -32.9739 55.9971 GPRESSAVG: 3564400 13.6081 -22.4708 32.401 -25.7685 -28.2642 -35.6161 34.2515 -32.8351 55.2954 TIMING: 3564400 CPU: 10726.5, 0.00302476/step Wall: 10726.5, 0.00302476/step, 1.20621 hours remaining, 210.230469 MB of memory in use. ENERGY: 3564400 763.4765 2022.9654 1957.8524 123.7239 -206415.5262 17759.5029 0.0000 0.0000 34335.7959 -149452.2092 299.8630 -183788.0051 -149346.7547 298.7021 -124.1566 -93.6107 557901.1089 13.5580 13.5464 PRESSURE: 3564600 -41.1485 10.6434 22.7123 10.6432 31.7721 39.6673 22.7146 39.6673 -43.9735 GPRESSURE: 3564600 -55.1912 -35.4233 -60.3207 85.9411 116.195 41.8517 78.993 -24.853 -17.3613 PRESSAVG: 3564600 9.78925 -9.77146 -33.3801 -9.77141 46.4294 -10.9016 -33.3802 -10.9017 -27.291 GPRESSAVG: 3564600 8.90174 -9.54476 -33.2895 -8.55275 47.1053 -9.03881 -32.9504 -11.021 -27.2132 TIMING: 3564600 CPU: 10727.1, 0.00296335/step Wall: 10727.1, 0.00296335/step, 1.18155 hours remaining, 210.433594 MB of memory in use. ENERGY: 3564600 733.1524 2133.2656 1935.7239 104.6966 -206601.7900 17885.6496 0.0000 0.0000 34365.6005 -149443.7014 300.1233 -183809.3019 -149355.2850 299.1089 -17.7833 14.5474 555603.4137 9.6425 9.5980 PRESSURE: 3564800 -116.218 94.6321 131.678 94.6322 -172.384 22.5056 131.677 22.5048 -142.138 GPRESSURE: 3564800 -34.1352 88.2555 150.889 190.063 -198.301 35.5959 109.077 25.2738 -89.3495 PRESSAVG: 3564800 -19.822 6.81691 -15.0701 6.81695 11.1747 3.96564 -15.0701 3.96551 20.3119 GPRESSAVG: 3564800 -20.7787 4.75128 -13.0211 6.91642 12.4912 1.09432 -16.2239 4.31375 20.5604 TIMING: 3564800 CPU: 10727.7, 0.00296733/step Wall: 10727.7, 0.00296733/step, 1.18298 hours remaining, 210.433594 MB of memory in use. ENERGY: 3564800 719.5435 2062.4420 1949.1180 113.0872 -206385.8392 17646.5122 0.0000 0.0000 34512.5603 -149382.5760 301.4068 -183895.1362 -149280.4176 298.7887 -143.5800 -107.2620 556477.0124 3.8882 4.0910 PRESSURE: 3565000 118.494 115.886 127.705 115.887 277.052 123.32 127.705 123.32 69.0363 GPRESSURE: 3565000 144.039 82.1783 79.8474 97.9635 329.384 62.0963 135.147 120.963 90.7378 PRESSAVG: 3565000 -25.2697 -3.79312 56.921 -3.79308 -8.0476 -24.9857 56.921 -24.9857 22.4338 GPRESSAVG: 3565000 -22.8761 -1.95718 53.2866 -5.22021 -9.34613 -23.63 59.0647 -26.6724 21.9998 TIMING: 3565000 CPU: 10728.3, 0.00295595/step Wall: 10728.3, 0.00295595/step, 1.17827 hours remaining, 210.433594 MB of memory in use. ENERGY: 3565000 745.0539 2079.3546 1962.1599 117.3096 -206677.1157 18041.5488 0.0000 0.0000 34237.2402 -149494.4488 299.0023 -183731.6890 -149397.2671 299.2177 154.8607 188.0538 554073.7638 -3.6278 -3.4075 PRESSURE: 3565200 133.689 4.21874 51.1365 4.21839 221.017 124.409 51.1366 124.409 31.2972 GPRESSURE: 3565200 169.607 -87.4634 30.2152 52.7855 235.834 83.0191 61.6385 102.982 74.9991 PRESSAVG: 3565200 12.5288 5.37721 1.75268 5.37731 57.7667 -44.8897 1.75262 -44.8897 -52.3398 GPRESSAVG: 3565200 10.9141 5.44794 3.11906 4.35925 58.2662 -43.2066 0.385512 -43.8988 -51.5269 TIMING: 3565200 CPU: 10728.9, 0.00295239/step Wall: 10728.9, 0.00295239/step, 1.17669 hours remaining, 210.433594 MB of memory in use. ENERGY: 3565200 711.4569 2066.1826 1943.3410 110.9782 -206205.6104 17962.3798 0.0000 0.0000 34267.0290 -149144.2429 299.2625 -183411.2719 -149049.3970 298.6098 128.6679 160.1467 556833.1742 5.9853 5.8845 PRESSURE: 3565400 130.63 -28.9647 -123.15 -28.963 148.902 -50.3503 -123.15 -50.3501 183.446 GPRESSURE: 3565400 146.6 -39.7148 -183.418 -5.4583 169.766 -19.9227 -59.2675 -106.861 232.039 PRESSAVG: 3565400 2.6349 -17.6152 53.6631 -17.6152 40.1387 -16.9278 53.663 -16.9279 -5.05509 GPRESSAVG: 3565400 2.59703 -21.1791 54.0651 -14.6354 39.5542 -18.4073 54.7298 -16.6939 -4.38927 TIMING: 3565400 CPU: 10729.5, 0.00299695/step Wall: 10729.5, 0.00299695/step, 1.19428 hours remaining, 210.433594 MB of memory in use. ENERGY: 3565400 672.9347 2121.1501 2000.8926 122.5126 -205978.3388 17813.4887 0.0000 0.0000 34169.5588 -149077.8013 298.4113 -183247.3601 -148976.4157 299.0434 154.3263 182.8015 556885.3088 12.5728 12.5873 PRESSURE: 3565600 73.0261 -130.734 26.0184 -130.735 -160.813 52.3729 26.0185 52.3727 -298.778 GPRESSURE: 3565600 98.7094 -111.005 -20.367 -68.5931 -141.066 3.46329 -25.269 -23.4658 -237.285 PRESSAVG: 3565600 -15.0597 -60.2428 -1.9481 -60.2428 15.4304 -35.2378 -1.94813 -35.2378 -5.39048 GPRESSAVG: 3565600 -15.3913 -59.1758 -2.82147 -60.7884 15.7491 -35.1182 -3.68588 -36.3429 -5.15455 TIMING: 3565600 CPU: 10730.1, 0.00298244/step Wall: 10730.1, 0.00298244/step, 1.18834 hours remaining, 210.433594 MB of memory in use. ENERGY: 3565600 716.1659 2022.2295 1956.0600 116.2026 -205966.4851 17657.1902 0.0000 0.0000 34244.7975 -149253.8394 299.0683 -183498.6369 -149157.1058 298.9987 -128.8548 -93.2137 558161.3459 -1.6733 -1.5989 PRESSURE: 3565800 -102.898 -16.0002 46.1335 -16.0005 -257.186 -218.523 46.1343 -218.524 149.203 GPRESSURE: 3565800 -84.5396 24.667 11.6537 70.2068 -170.151 -148.284 99.679 -211.934 150.614 PRESSAVG: 3565800 25.7247 6.55448 -1.062 6.55449 -10.1311 -16.604 -1.06209 -16.604 -37.0122 GPRESSAVG: 3565800 26.5711 7.37351 0.672264 3.93173 -11.1476 -17.1094 -0.101438 -16.6349 -37.4395 TIMING: 3565800 CPU: 10730.7, 0.00295476/step Wall: 10730.7, 0.00295476/step, 1.17714 hours remaining, 210.433594 MB of memory in use. ENERGY: 3565800 734.8168 2023.2907 1926.5527 120.8112 -205732.8107 17774.1391 0.0000 0.0000 33965.3737 -149187.8265 296.6281 -183153.2002 -149094.8726 299.2654 -70.2936 -34.6919 558886.1437 -7.1396 -7.3387 PRESSURE: 3566000 212.314 -122.683 43.5534 -122.682 34.4322 46.9952 43.554 46.9953 220.626 GPRESSURE: 3566000 228.832 -78.3679 81.9867 -143.766 97.164 63.1399 80.1552 56.5365 228.035 PRESSAVG: 3566000 8.32473 7.05853 -56.5983 7.05854 -2.92814 -8.70949 -56.5983 -8.70951 17.6986 GPRESSAVG: 3566000 8.04755 7.49786 -55.8803 9.97738 -3.26903 -8.47808 -59.1979 -8.02561 17.9031 TIMING: 3566000 CPU: 10731.2, 0.00293527/step Wall: 10731.2, 0.00293527/step, 1.16921 hours remaining, 210.433594 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: 3566000 776.3489 2136.5716 1941.2283 109.4092 -206402.0535 18034.3287 0.0000 0.0000 34279.1313 -149125.0355 299.3682 -183404.1668 -149032.8655 299.4186 155.7907 184.6772 556706.9645 7.6984 7.5605 PRESSURE: 3566200 108.807 91.4069 -62.0787 91.4053 54.2451 -77.4633 -62.0788 -77.4649 -108.831 GPRESSURE: 3566200 157.922 149.892 -73.6873 103.244 93.4491 -46.4121 -37.1015 -80.8726 -96.8958 PRESSAVG: 3566200 20.8615 0.833575 -10.5779 0.83355 -16.7169 -62.7239 -10.5779 -62.724 -37.4968 GPRESSAVG: 3566200 21.9661 1.7466 -10.5957 -1.23069 -17.161 -61.0773 -8.72895 -65.4766 -38.3542 TIMING: 3566200 CPU: 10731.8, 0.00298759/step Wall: 10731.8, 0.00298759/step, 1.18989 hours remaining, 210.433594 MB of memory in use. ENERGY: 3566200 741.5862 2062.6542 1942.4339 105.4002 -206360.2595 17851.8593 0.0000 0.0000 34585.7545 -149070.5713 302.0460 -183656.3257 -148976.9976 299.9365 18.0736 51.4918 557010.3893 -11.1174 -11.1831 PRESSURE: 3566400 -119.863 22.1203 34.4443 22.1198 -118.318 -24.4028 34.4452 -24.4027 -275.838 GPRESSURE: 3566400 -99.3413 72.038 45.6596 47.256 -63.3684 -61.8748 78.6351 -69.1696 -242.07 PRESSAVG: 3566400 41.8274 14.8992 -13.7383 14.8992 -62.4097 -6.68192 -13.7384 -6.68195 40.7051 GPRESSAVG: 3566400 40.3767 12.6706 -14.1068 14.2574 -61.2408 -6.73351 -13.7716 -4.05312 40.5994 TIMING: 3566400 CPU: 10732.4, 0.00297354/step Wall: 10732.4, 0.00297354/step, 1.18413 hours remaining, 210.492188 MB of memory in use. ENERGY: 3566400 740.6816 2039.5370 1944.6990 116.0542 -205935.4179 17667.1515 0.0000 0.0000 34402.6789 -149024.6158 300.4472 -183427.2947 -148927.5728 299.8352 -171.3399 -134.9264 558722.1870 6.7076 6.5784 PRESSURE: 3566600 312.686 -63.186 -70.5969 -63.1855 -298.446 -87.4883 -70.5961 -87.487 -158.471 GPRESSURE: 3566600 336.89 -62.9484 -30.8953 -108.023 -231.285 -68.3547 -97.9426 -127.262 -152.149 PRESSAVG: 3566600 33.1215 -5.25251 6.56648 -5.25252 10.3401 -26.256 6.56649 -26.256 -16.7564 GPRESSAVG: 3566600 33.9389 -5.07159 5.38776 -3.69185 9.6444 -27.7713 9.12366 -27.3377 -17.4628 TIMING: 3566600 CPU: 10733, 0.00298151/step Wall: 10733, 0.00298151/step, 1.18714 hours remaining, 210.726562 MB of memory in use. ENERGY: 3566600 722.7155 2106.1336 1951.1645 111.2185 -206356.2404 17865.7340 0.0000 0.0000 34410.5344 -149188.7399 300.5158 -183599.2743 -149092.0262 299.7359 -48.0771 -15.5146 559028.4120 8.9017 8.7068 PRESSURE: 3566800 -50.0806 121.375 120.87 121.375 -177.116 -31.05 120.871 -31.0503 -290.206 GPRESSURE: 3566800 -37.3765 77.7984 124.467 101.411 -138.037 -6.14724 28.0612 -56.2077 -239.345 PRESSAVG: 3566800 45.2659 12.4971 -59.3612 12.4971 -24.2116 14.2323 -59.3612 14.2323 -54.9738 GPRESSAVG: 3566800 44.5267 12.6154 -57.9035 11.0386 -23.8652 15.2444 -64.2797 13.5748 -54.121 TIMING: 3566800 CPU: 10733.6, 0.00298472/step Wall: 10733.6, 0.00298472/step, 1.18825 hours remaining, 210.726562 MB of memory in use. ENERGY: 3566800 753.6031 2104.9270 1912.3990 112.2713 -205864.7707 17473.4594 0.0000 0.0000 34392.4970 -149115.6139 300.3582 -183508.1109 -149018.5355 299.5605 -172.4677 -138.2530 558162.4054 -11.3065 -11.1532 PRESSURE: 3567000 292.566 -190.515 101.132 -190.514 -29.0094 -62.1178 101.133 -62.1174 262.006 GPRESSURE: 3567000 330.35 -190.143 88.9533 -200.684 55.065 -62.9313 12.4466 -73.823 241.205 PRESSAVG: 3567000 59.9273 -4.36823 -36.0078 -4.36822 -41.7378 -27.6654 -36.0079 -27.6653 -47.1021 GPRESSAVG: 3567000 59.9911 -3.13083 -37.5725 -3.64994 -42.6142 -26.8162 -31.8515 -28.7981 -46.8529 TIMING: 3567000 CPU: 10734.2, 0.00298408/step Wall: 10734.2, 0.00298408/step, 1.18783 hours remaining, 210.726562 MB of memory in use. ENERGY: 3567000 732.1823 2086.3516 1923.7492 112.4441 -206413.9235 18201.3214 0.0000 0.0000 34289.9758 -149067.8990 299.4629 -183357.8748 -148974.5159 299.9993 175.1874 208.8733 558997.2293 -9.6375 -9.8253 PRESSURE: 3567200 58.9315 226.75 -110.136 226.751 348.11 135.444 -110.136 135.444 94.9259 GPRESSURE: 3567200 116.271 230.056 -105.358 191.155 284.976 64.5674 -164.413 192.124 197.144 PRESSAVG: 3567200 67.3828 32.0901 -27.685 32.0899 -19.7478 25.5312 -27.6849 25.5312 21.015 GPRESSAVG: 3567200 67.7202 30.8663 -28.7044 32.1757 -19.0578 22.9861 -29.2235 28.7256 20.5934 TIMING: 3567200 CPU: 10734.8, 0.00296431/step Wall: 10734.8, 0.00296431/step, 1.17979 hours remaining, 210.726562 MB of memory in use. ENERGY: 3567200 743.0121 2095.6654 1942.1358 117.6403 -206504.8394 18243.5690 0.0000 0.0000 34224.7382 -149138.0786 298.8932 -183362.8168 -149051.7530 299.7639 167.3226 199.4635 556979.4052 22.8834 23.0853 PRESSURE: 3567400 58.9245 61.4871 48.6439 61.4873 -28.7732 -122.946 48.6436 -122.946 -71.3763 GPRESSURE: 3567400 32.8401 -59.9969 63.1298 59.8115 9.08079 -51.408 72.5611 -23.1969 9.28108 PRESSAVG: 3567400 49.7199 46.8045 -99.4731 46.8045 3.40588 8.49836 -99.4731 8.49847 -51.9627 GPRESSAVG: 3567400 49.3727 44.4628 -98.2428 46.9745 2.87363 8.45344 -100.84 6.98771 -51.4403 TIMING: 3567400 CPU: 10735.4, 0.00297542/step Wall: 10735.4, 0.00297542/step, 1.18405 hours remaining, 210.726562 MB of memory in use. ENERGY: 3567400 742.8386 2083.6465 1928.3293 114.7035 -206245.2548 17824.5263 0.0000 0.0000 34384.7442 -149166.4663 300.2905 -183551.2105 -149074.8132 299.7385 -13.7417 17.0673 557248.9019 0.3877 0.2687 PRESSURE: 3567600 -346.132 223.893 -32.6986 223.891 -296.463 -86.631 -32.699 -86.6307 -171.215 GPRESSURE: 3567600 -269.784 140.671 30.4523 286.551 -281.263 -32.7391 -97.1659 -122.385 -150.707 PRESSAVG: 3567600 7.35763 8.90223 -37.4252 8.90218 -14.6098 34.0967 -37.4252 34.0967 31.6671 GPRESSAVG: 3567600 7.6049 10.9432 -37.4557 7.91829 -13.9479 34.8224 -35.1197 33.5837 30.7687 TIMING: 3567600 CPU: 10736, 0.00300385/step Wall: 10736, 0.00300385/step, 1.1952 hours remaining, 210.726562 MB of memory in use. ENERGY: 3567600 768.5795 2146.4140 1925.3981 119.3300 -205470.9555 17483.9850 0.0000 0.0000 33912.8756 -149114.3734 296.1696 -183027.2490 -149016.5209 299.6911 -271.2699 -233.9181 559296.7245 8.1383 8.1419 PRESSURE: 3567800 100.269 -14.4518 -251.523 -14.4521 -115.312 80.2022 -251.524 80.2036 -38.0819 GPRESSURE: 3567800 180.016 23.4677 -229.767 -3.86936 -52.4679 36.3909 -226.533 194.886 -75.5667 PRESSAVG: 3567800 67.0003 30.2376 -47.2448 30.2375 -48.5228 36.4605 -47.2448 36.4605 2.29587 GPRESSAVG: 3567800 66.7243 30.0385 -47.4924 31.1942 -48.2462 36.9987 -48.5394 35.7217 2.9003 TIMING: 3567800 CPU: 10736.6, 0.00297251/step Wall: 10736.6, 0.00297251/step, 1.18256 hours remaining, 210.726562 MB of memory in use. ENERGY: 3567800 731.7889 2069.9512 1934.4180 112.2812 -206195.5885 17800.3535 0.0000 0.0000 34437.4496 -149109.3462 300.7508 -183546.7958 -149004.8932 299.9989 -17.7081 17.3272 556104.0963 6.9245 7.1261 PRESSURE: 3568000 -250.131 35.5816 99.8366 35.5832 -125.569 104.964 99.8362 104.964 -156.532 GPRESSURE: 3568000 -168.473 125.989 185.442 -73.3975 -132.481 99.035 50.6591 67.0417 -126.867 PRESSAVG: 3568000 52.6129 17.3898 -75.8859 17.3899 -43.4675 -17.5566 -75.8859 -17.5566 -11.5343 GPRESSAVG: 3568000 53.0906 19.0639 -75.2298 15.7688 -42.8426 -18.9594 -75.9012 -15.1894 -12.2574 TIMING: 3568000 CPU: 10737.2, 0.00298617/step Wall: 10737.2, 0.00298617/step, 1.18783 hours remaining, 210.726562 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: 3568000 703.5071 2102.2291 1968.6806 111.7891 -205838.4842 17379.2144 0.0000 0.0000 34431.0761 -149141.9878 300.6952 -183573.0639 -149053.4607 299.6951 -177.4106 -142.6070 557964.5371 -0.7963 -0.6698 PRESSURE: 3568200 230.875 -94.2177 -49.7825 -94.2167 32.2799 48.7234 -49.7824 48.7226 196.86 GPRESSURE: 3568200 301.082 -90.2936 -127.576 -118.449 41.3706 128.375 36.7565 -1.86175 204.714 PRESSAVG: 3568200 -7.55605 -12.5687 44.2307 -12.5686 4.14711 -6.6196 44.2306 -6.61959 -4.99069 GPRESSAVG: 3568200 -6.4978 -15.3042 44.326 -11.3605 3.61512 -4.36628 43.2331 -6.54084 -6.01993 TIMING: 3568200 CPU: 10737.8, 0.00296953/step Wall: 10737.8, 0.00296953/step, 1.18105 hours remaining, 210.726562 MB of memory in use. ENERGY: 3568200 731.8894 2096.4077 1938.1122 114.5639 -206522.2942 18242.2685 0.0000 0.0000 34044.3877 -149354.6649 297.3181 -183399.0526 -149259.3006 298.7072 153.3384 182.3887 558614.6533 -2.7999 -2.9675 LDB: ============= START OF LOAD BALANCING ============== 10741.3 LDB: ============== END OF LOAD BALANCING =============== 10741.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10741.3 LDB: ============= START OF LOAD BALANCING ============== 10741.6 LDB: Largest compute 4802 load 0.028972 is 24.5% of average load 0.118211 LDB: Average compute 0.001728 is 1.5% of average load 0.118211 LDB: TIME 10741.6 LOAD: AVG 0.118211 MAX 0.209092 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.164 MB LDB: TIME 10741.6 LOAD: AVG 0.118211 MAX 0.209092 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.164 MB LDB: TIME 10741.6 LOAD: AVG 0.118211 MAX 0.209092 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.164 MB LDB: ============== END OF LOAD BALANCING =============== 10741.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10741.6 PRESSURE: 3568400 265.639 57.934 34.6539 57.934 97.107 -149.185 34.6536 -149.185 -48.8526 GPRESSURE: 3568400 312.59 61.9452 10.8001 41.5856 139.446 -227.717 139.773 -76.8456 -43.0719 PRESSAVG: 3568400 17.1611 16.8718 -18.2869 16.8719 -48.5785 23.9187 -18.287 23.9187 11.6218 GPRESSAVG: 3568400 16.2071 18.1538 -17.4128 14.9272 -49.1495 22.8351 -18.5001 22.4822 13.3306 TIMING: 3568400 CPU: 10738.4, 0.00303785/step Wall: 10738.4, 0.00303785/step, 1.20805 hours remaining, 209.199219 MB of memory in use. ENERGY: 3568400 726.1707 2099.0287 1966.9750 114.0089 -206681.4833 18053.4314 0.0000 0.0000 34317.0271 -149404.8414 299.6991 -183721.8686 -149307.8747 298.6845 104.6312 136.3214 558303.3142 -6.5985 -6.5373 PRESSURE: 3568600 86.0126 -6.88596 22.9901 -6.88567 -90.1519 -176.039 22.9905 -176.039 227.748 GPRESSURE: 3568600 124.591 -65.4156 -71.4463 42.1539 -61.9696 -184.332 57.5228 -253.87 267.651 PRESSAVG: 3568600 -18.7422 24.5598 -26.8 24.5598 30.8283 -39.4089 -26.8 -39.409 -5.23441 GPRESSAVG: 3568600 -18.5158 25.7188 -27.7498 24.0729 31.2062 -39.7298 -27.3011 -38.4926 -5.63381 TIMING: 3568600 CPU: 10739, 0.00296991/step Wall: 10739, 0.00296991/step, 1.18087 hours remaining, 209.199219 MB of memory in use. ENERGY: 3568600 743.1932 2078.4624 1923.4202 115.0425 -206287.9999 18060.4937 0.0000 0.0000 34098.2498 -149269.1381 297.7885 -183367.3879 -149177.7027 298.5879 74.5363 110.0906 558633.5195 2.2839 2.3522 PRESSURE: 3568800 -83.8083 121.059 -128.143 121.061 -118.879 88.6879 -128.143 88.6864 -173.726 GPRESSURE: 3568800 1.80007 181.598 -139.517 157.504 -95.6932 33.9128 -41.6596 94.2871 -181.032 PRESSAVG: 3568800 69.3262 -12.7463 -46.8548 -12.7463 -42.9611 -0.48739 -46.8547 -0.487405 -16.9662 GPRESSAVG: 3568800 67.8982 -15.7236 -46.9288 -9.64048 -42.0045 0.164222 -45.8291 0.513948 -16.8022 TIMING: 3568800 CPU: 10739.6, 0.00297326/step Wall: 10739.6, 0.00297326/step, 1.18204 hours remaining, 209.199219 MB of memory in use. ENERGY: 3568800 728.2440 2056.7323 1934.1613 111.0101 -206214.9286 17758.5736 0.0000 0.0000 34453.2481 -149172.9593 300.8888 -183626.2073 -149070.7841 299.2852 -125.4708 -91.6416 559814.2060 3.1330 3.0305 PRESSURE: 3569000 -312.632 210.456 -83.7117 210.456 -180.034 9.55015 -83.712 9.54847 -212.697 GPRESSURE: 3569000 -270.858 157.223 -77.3012 198.983 -183.646 3.09532 -142.158 -5.1603 -143.861 PRESSAVG: 3569000 74.4697 56.4227 -4.70147 56.4226 -48.8881 -22.8226 -4.70153 -22.8226 -41.0131 GPRESSAVG: 3569000 76.5537 56.4758 -5.49119 56.1967 -49.9653 -23.2045 -3.70754 -22.5567 -41.1129 TIMING: 3569000 CPU: 10740.2, 0.00297861/step Wall: 10740.2, 0.00297861/step, 1.184 hours remaining, 209.199219 MB of memory in use. ENERGY: 3569000 746.9251 2144.5570 1931.4787 113.1826 -206215.9280 17724.1272 0.0000 0.0000 34284.6237 -149271.0337 299.4161 -183555.6573 -149177.9766 300.1963 -235.1210 -199.4551 559811.2799 -5.1438 -4.8415 PRESSURE: 3569200 91.6794 -63.3312 -20.85 -63.3309 -166.994 65.7016 -20.8494 65.7025 -182.36 GPRESSURE: 3569200 75.8992 -45.1375 -1.58581 -64.3463 -108.508 20.5478 -24.3907 93.4301 -122.139 PRESSAVG: 3569200 3.55787 -48.886 67.6536 -48.8859 15.8924 -19.677 67.6535 -19.677 -1.51281 GPRESSAVG: 3569200 2.35932 -47.9831 68.5035 -48.9429 16.368 -20.0631 66.0032 -19.0142 -0.668375 TIMING: 3569200 CPU: 10740.8, 0.00297603/step Wall: 10740.8, 0.00297603/step, 1.18281 hours remaining, 209.199219 MB of memory in use. ENERGY: 3569200 737.0400 2071.8085 1938.5654 112.6096 -206019.2340 17828.1911 0.0000 0.0000 34105.8544 -149225.1648 297.8549 -183331.0192 -149129.2129 299.3879 -85.8916 -51.5829 558534.9934 5.9792 6.0197 PRESSURE: 3569400 11.396 39.1594 -111.813 39.1588 -48.5356 -87.8773 -111.814 -87.8781 -186.499 GPRESSURE: 3569400 6.45145 4.07995 -155.49 28.5899 3.62888 -47.8097 -127.262 -147.901 -141.721 PRESSAVG: 3569400 94.8093 21.085 -16.8094 21.085 -30.2492 3.15853 -16.8094 3.15856 -62.8475 GPRESSAVG: 3569400 94.2448 21.5759 -17.9186 20.4796 -28.8063 3.16844 -16.4316 1.71959 -64.4239 TIMING: 3569400 CPU: 10741.4, 0.0029916/step Wall: 10741.4, 0.0029916/step, 1.18883 hours remaining, 209.199219 MB of memory in use. ENERGY: 3569400 742.1405 2063.2257 1938.7309 104.8184 -206058.5266 17727.7683 0.0000 0.0000 34260.1844 -149221.6585 299.2027 -183481.8429 -149125.1992 299.7854 -74.5464 -43.8804 557734.4486 0.5709 0.3382 PRESSURE: 3569600 249.225 36.8353 139.746 36.8334 67.0277 37.4653 139.746 37.4654 174.171 GPRESSURE: 3569600 279.457 43.4706 128.883 41.3856 100.309 42.4995 131.25 22.1034 223.063 PRESSAVG: 3569600 3.82368 27.3606 -11.2678 27.3605 9.33735 -29.6582 -11.2678 -29.6581 13.1371 GPRESSAVG: 3569600 3.626 25.8554 -11.0005 27.2906 8.97422 -30.3881 -11.6385 -29.806 14.0685 TIMING: 3569600 CPU: 10742, 0.00298156/step Wall: 10742, 0.00298156/step, 1.18467 hours remaining, 209.269531 MB of memory in use. ENERGY: 3569600 726.7838 2059.4764 1930.3169 121.1818 -206348.2364 18024.3133 0.0000 0.0000 34220.1442 -149266.0200 298.8530 -183486.1642 -149169.1354 299.4558 163.4744 200.9432 557177.2402 8.7660 8.8896 PRESSURE: 3569800 -135.107 137.929 6.25073 137.929 -313.128 -196.002 6.25089 -196.001 -208.441 GPRESSURE: 3569800 -140.888 55.0238 63.1594 157.565 -300.561 -245.866 -67.9401 -140.237 -114.908 PRESSAVG: 3569800 4.17984 8.90329 31.8967 8.90335 16.9877 -85.1702 31.8966 -85.1702 -9.58938 GPRESSAVG: 3569800 5.02139 11.9813 32.6837 8.94288 16.4925 -82.9332 32.2044 -87.4005 -9.93293 TIMING: 3569800 CPU: 10742.6, 0.0029751/step Wall: 10742.6, 0.0029751/step, 1.18194 hours remaining, 209.269531 MB of memory in use. ENERGY: 3569800 751.1130 2032.8219 1923.4007 104.1546 -206068.6788 17515.4615 0.0000 0.0000 34400.5500 -149341.1771 300.4286 -183741.7272 -149239.4029 299.5070 -218.8919 -185.4525 557277.2200 3.8594 3.8603 PRESSURE: 3570000 -379.697 -137.738 -6.07367 -137.737 -632.001 -21.2841 -6.07405 -21.2844 -183.119 GPRESSURE: 3570000 -355.83 -208.983 -8.3876 -126.914 -552.951 -86.393 -73.5057 44.8003 -192.282 PRESSAVG: 3570000 -31.437 4.25777 -10.9053 4.25769 -17.8266 -63.5285 -10.9053 -63.5284 31.0101 GPRESSAVG: 3570000 -31.9555 2.15551 -11.3543 3.14196 -16.929 -65.9927 -10.0938 -62.0105 30.2986 TIMING: 3570000 CPU: 10743.2, 0.00294841/step Wall: 10743.2, 0.00294841/step, 1.17117 hours remaining, 209.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3570000 718.3066 2094.7815 1959.1354 110.9549 -206044.3185 17337.2077 0.0000 0.0000 34290.6398 -149533.2925 299.4687 -183823.9324 -149434.0006 300.0803 -398.2721 -367.0208 557450.8407 -6.0845 -6.1953 PRESSURE: 3570200 -25.9182 -92.0091 -223.089 -92.0085 55.9758 -3.7681 -223.089 -3.76906 -175.786 GPRESSURE: 3570200 -42.9378 -82.0024 -220.157 -79.4745 101.841 0.675275 -155.109 -76.7582 -101.41 PRESSAVG: 3570200 -25.4864 -46.8404 -17.8619 -46.8405 -1.54216 -2.98959 -17.8619 -2.98967 66.3369 GPRESSAVG: 3570200 -26.8787 -46.7824 -17.9096 -45.5982 -1.83904 -1.53833 -16.4452 -2.89989 67.2954 TIMING: 3570200 CPU: 10743.8, 0.00296502/step Wall: 10743.8, 0.00296502/step, 1.17761 hours remaining, 209.269531 MB of memory in use. ENERGY: 3570200 742.0216 2089.1158 1933.1608 102.9087 -206655.3582 17952.9295 0.0000 0.0000 34329.4298 -149505.7920 299.8074 -183835.2218 -149412.0914 299.6667 -48.5763 -14.1688 556690.4798 13.1028 12.8592 PRESSURE: 3570400 -122.455 20.8962 -84.9207 20.8957 -76.9342 -35.3716 -84.9204 -35.3705 -37.1986 GPRESSURE: 3570400 -104.447 58.5019 5.29624 41.9394 -4.08218 -15.374 -102.406 -90.1181 -42.047 PRESSAVG: 3570400 -51.9758 9.2521 -4.26036 9.25211 69.7925 -12.9909 -4.2604 -12.9908 8.26963 GPRESSAVG: 3570400 -51.2167 10.0838 -3.15476 10.6941 69.5806 -12.7254 -5.38462 -11.3476 8.164 TIMING: 3570400 CPU: 10744.4, 0.00298992/step Wall: 10744.4, 0.00298992/step, 1.18733 hours remaining, 209.269531 MB of memory in use. ENERGY: 3570400 745.2374 2077.9984 1920.1372 118.3096 -206242.8833 17751.2641 0.0000 0.0000 33977.8342 -149652.1024 296.7369 -183629.9366 -149551.7791 298.5183 -78.8625 -50.1921 558948.5730 8.6954 8.8426 PRESSURE: 3570600 -77.8013 -114.998 -79.8451 -114.999 -39.1996 195.592 -79.8444 195.593 252.382 GPRESSURE: 3570600 -45.186 -25.4494 -116.165 -173.217 -3.94225 179.483 -70.6602 155.677 284.924 PRESSAVG: 3570600 -7.03522 38.6502 17.325 38.6502 2.98997 -31.0944 17.325 -31.0943 29.763 GPRESSAVG: 3570600 -5.99459 36.9366 17.2923 37.2677 4.04019 -30.0929 16.9976 -32.7383 27.5512 TIMING: 3570600 CPU: 10744.9, 0.00297311/step Wall: 10744.9, 0.00297311/step, 1.18049 hours remaining, 209.269531 MB of memory in use. ENERGY: 3570600 746.5776 2122.2001 1954.3375 119.2698 -206436.5100 17967.9418 0.0000 0.0000 34124.4156 -149401.7676 298.0170 -183526.1832 -149304.8528 298.3606 45.1271 78.5985 557768.2415 8.5726 8.5323 PRESSURE: 3570800 -89.8611 -141.828 5.59459 -141.828 -52.6504 -22.3111 5.59331 -22.3118 -51.1605 GPRESSURE: 3570800 -69.9494 -209.503 -61.2047 -12.8601 24.7523 45.2338 55.8296 -14.3278 -52.2891 PRESSAVG: 3570800 -12.5943 36.0182 19.9017 36.0182 -9.43762 -51.4936 19.9016 -51.4936 51.8728 GPRESSAVG: 3570800 -13.6597 37.9549 20.1221 35.7449 -9.82711 -52.8603 20.4519 -51.0522 53.1938 TIMING: 3570800 CPU: 10745.5, 0.00297984/step Wall: 10745.5, 0.00297984/step, 1.183 hours remaining, 209.269531 MB of memory in use. ENERGY: 3570800 752.8259 2089.1749 1922.5962 125.0575 -206037.7373 17734.6196 0.0000 0.0000 34081.7359 -149331.7273 297.6443 -183413.4632 -149234.3807 299.0157 -64.5574 -32.4954 558429.6844 9.9470 9.9023 PRESSURE: 3571000 151.4 -88.3036 -22.6871 -88.3039 117.033 -189.011 -22.6882 -189.011 176.057 GPRESSURE: 3571000 183.697 -116.748 29.3416 3.88688 102.933 -192.057 51.283 -163.152 244.405 PRESSAVG: 3571000 8.9248 -17.7761 3.60086 -17.776 -70.5785 -87.6725 3.60078 -87.6724 49.4555 GPRESSAVG: 3571000 9.00431 -18.2469 2.40055 -16.5605 -70.6374 -88.787 3.21544 -87.4572 49.5323 TIMING: 3571000 CPU: 10746.1, 0.00302321/step Wall: 10746.1, 0.00302321/step, 1.20005 hours remaining, 209.269531 MB of memory in use. ENERGY: 3571000 765.5720 2138.9007 1943.5932 102.7743 -206592.2068 17957.7391 0.0000 0.0000 34149.0181 -149534.6093 298.2319 -183683.6274 -149440.1022 299.2423 148.1635 177.0117 556584.5907 -4.0660 -4.0336 PRESSURE: 3571200 -201.505 129.242 3.45871 129.242 214.763 -203.22 3.45906 -203.222 145.547 GPRESSURE: 3571200 -139.56 132.913 30.9414 99.7397 276.932 -192.669 79.2651 -232.428 107.244 PRESSAVG: 3571200 41.4106 -33.0329 2.11417 -33.0329 -3.94235 27.0848 2.11417 27.0846 -28.6257 GPRESSAVG: 3571200 40.0524 -31.455 3.42124 -33.3924 -2.91913 25.0121 0.693915 28.8245 -28.3186 TIMING: 3571200 CPU: 10746.7, 0.00297329/step Wall: 10746.7, 0.00297329/step, 1.18007 hours remaining, 209.269531 MB of memory in use. ENERGY: 3571200 743.5248 2154.9252 1934.6157 106.0887 -206461.1190 17821.9679 0.0000 0.0000 34158.6216 -149541.3751 298.3157 -183699.9967 -149450.6494 298.3778 52.9348 81.5387 556288.9504 2.9475 2.9382 PRESSURE: 3571400 -292.181 -52.5083 -123.794 -52.5079 -245.068 41.6522 -123.794 41.6534 -120.16 GPRESSURE: 3571400 -158.859 -103.193 -141.43 -75.7424 -246.228 58.8548 -59.3461 67.6732 -164.219 PRESSAVG: 3571400 -15.2382 -9.29726 -28.3114 -9.29718 -26.7835 -12.7763 -28.3114 -12.7762 83.7407 GPRESSAVG: 3571400 -12.5199 -11.0763 -29.7043 -9.40933 -28.5527 -8.36861 -27.0514 -15.1009 82.9907 TIMING: 3571400 CPU: 10747.3, 0.00297726/step Wall: 10747.3, 0.00297726/step, 1.18148 hours remaining, 209.269531 MB of memory in use. ENERGY: 3571400 764.6142 2078.9951 1935.9108 106.9058 -206050.6450 17406.7214 0.0000 0.0000 34191.8232 -149565.6745 298.6057 -183757.4977 -149474.7347 298.8087 -219.1366 -189.7684 556479.7494 13.9063 13.9727 PRESSURE: 3571600 166.81 114.776 -70.5877 114.776 51.8148 8.18419 -70.5884 8.18609 254.092 GPRESSURE: 3571600 203.141 37.8103 -128.152 135.814 109.425 -35.0419 0.172876 -4.33737 263.279 PRESSAVG: 3571600 12.1489 37.9816 -10.4089 37.9816 -37.2476 -14.9969 -10.4089 -14.9969 -11.5551 GPRESSAVG: 3571600 11.9715 38.8753 -11.58 37.806 -37.4452 -15.4994 -9.66447 -13.792 -11.1223 TIMING: 3571600 CPU: 10747.9, 0.00297397/step Wall: 10747.9, 0.00297397/step, 1.18001 hours remaining, 209.269531 MB of memory in use. ENERGY: 3571600 728.3196 2124.7237 1956.5005 113.9141 -206691.8737 18117.2897 0.0000 0.0000 34055.3210 -149595.8050 297.4136 -183651.1260 -149508.3894 299.1012 157.5722 191.9487 557221.3365 -12.2179 -12.1987 PRESSURE: 3571800 106.034 -205.452 66.6967 -205.452 118.574 -290.94 66.696 -290.94 136.424 GPRESSURE: 3571800 185.153 -167.187 53.4547 -219.331 94.7399 -400.62 73.5516 -235.413 176.717 PRESSAVG: 3571800 8.32698 -58.3209 -11.1162 -58.3209 -15.9851 -70.7052 -11.1162 -70.7051 -25.8291 GPRESSAVG: 3571800 7.22844 -61.3198 -9.72644 -55.3646 -15.3787 -68.5341 -12.2805 -71.3705 -25.0592 TIMING: 3571800 CPU: 10748.5, 0.00297445/step Wall: 10748.5, 0.00297445/step, 1.18003 hours remaining, 209.269531 MB of memory in use. ENERGY: 3571800 726.5632 2099.3921 1942.9480 117.1553 -206917.9358 18159.0065 0.0000 0.0000 34206.6258 -149666.2448 298.7350 -183872.8706 -149562.2843 298.6442 120.3441 152.2033 556602.7661 -11.1624 -11.0698 PRESSURE: 3572000 127.28 -85.6872 -101.722 -85.6885 91.9691 142.892 -101.723 142.892 47.2198 GPRESSURE: 3572000 128.677 -71.5727 -107.621 -159.129 163.208 147.278 -85.8325 79.8946 68.8969 PRESSAVG: 3572000 17.2867 -6.96008 -79.9625 -6.96013 -68.8576 -74.6492 -79.9624 -74.6491 12.0016 GPRESSAVG: 3572000 17.2442 -4.21811 -80.6311 -10.7724 -68.0969 -77.4248 -78.8202 -73.41 11.1503 TIMING: 3572000 CPU: 10749.1, 0.00297717/step Wall: 10749.1, 0.00297717/step, 1.18094 hours remaining, 209.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3572000 716.0541 2134.9835 1953.4529 125.1726 -206672.1940 17854.4828 0.0000 0.0000 34213.4373 -149674.6108 298.7945 -183888.0482 -149578.8471 298.2112 88.8231 120.2605 556083.4811 -13.1898 -13.2341 PRESSURE: 3572200 -127.795 76.4088 129.257 76.4077 -72.5468 -16.4472 129.257 -16.4483 -85.1162 GPRESSURE: 3572200 -115.069 40.2084 138.795 25.1285 -10.42 33.6474 148.846 -80.698 -75.704 PRESSAVG: 3572200 33.7067 14.7974 -53.0522 14.7973 20.9357 -22.1353 -53.0522 -22.1351 -3.50002 GPRESSAVG: 3572200 33.4048 13.3007 -53.7504 14.8984 21.1023 -21.5115 -52.3839 -24.7302 -3.44429 TIMING: 3572200 CPU: 10749.7, 0.0029874/step Wall: 10749.7, 0.0029874/step, 1.18484 hours remaining, 209.269531 MB of memory in use. ENERGY: 3572200 763.3325 2050.3694 1940.6204 116.2976 -206537.3450 17858.3505 0.0000 0.0000 34107.7434 -149700.6312 297.8714 -183808.3747 -149604.1006 297.5705 -95.1526 -67.0643 557388.8624 17.0475 17.0209 LDB: ============= START OF LOAD BALANCING ============== 10753.2 LDB: ============== END OF LOAD BALANCING =============== 10753.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10753.2 LDB: ============= START OF LOAD BALANCING ============== 10753.5 LDB: Largest compute 4802 load 0.028173 is 23.8% of average load 0.118196 LDB: Average compute 0.001723 is 1.5% of average load 0.118196 LDB: TIME 10753.5 LOAD: AVG 0.118196 MAX 0.209386 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.797 MB LDB: TIME 10753.5 LOAD: AVG 0.118196 MAX 0.209386 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.801 MB LDB: TIME 10753.5 LOAD: AVG 0.118196 MAX 0.209386 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.801 MB LDB: ============== END OF LOAD BALANCING =============== 10753.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10753.5 PRESSURE: 3572400 -22.1156 25.5102 40.1966 25.51 46.7416 50.8865 40.1965 50.8882 36.1369 GPRESSURE: 3572400 -38.0302 188.923 19.3413 41.8173 111.482 65.8447 0.092844 88.1372 75.3036 PRESSAVG: 3572400 11.4529 44.8851 26.4277 44.8852 12.3958 41.9995 26.4276 41.9995 2.41918 GPRESSAVG: 3572400 12.62 46.9645 29.4448 45.486 11.0876 40.6519 24.9699 45.9068 2.89446 TIMING: 3572400 CPU: 10750.3, 0.00304284/step Wall: 10750.3, 0.00304284/step, 1.20666 hours remaining, 207.917969 MB of memory in use. ENERGY: 3572400 747.0678 2073.3257 1946.3429 129.6978 -206607.6147 17824.5234 0.0000 0.0000 34401.5059 -149485.1513 300.4369 -183886.6572 -149389.1537 298.7756 20.2543 49.5850 555618.9217 8.7559 8.8674 PRESSURE: 3572600 -32.1642 -87.6124 -50.2465 -87.6122 -204.004 -49.6707 -50.2458 -49.6718 140.489 GPRESSURE: 3572600 -54.9498 -86.859 -48.0326 -35.7676 -115.544 -18.2519 -81.6461 -137.704 170.662 PRESSAVG: 3572600 35.7151 21.5637 12.9392 21.5637 -26.6195 1.43766 12.9391 1.43765 17.462 GPRESSAVG: 3572600 36.8176 22.0964 11.2314 22.3081 -26.6234 2.07008 11.3541 -0.761298 16.0553 TIMING: 3572600 CPU: 10750.9, 0.00300741/step Wall: 10750.9, 0.00300741/step, 1.19244 hours remaining, 207.917969 MB of memory in use. ENERGY: 3572600 730.9341 2125.4795 1948.5020 117.9967 -206118.4934 17486.8586 0.0000 0.0000 34317.6838 -149391.0386 299.7049 -183708.7224 -149299.0670 299.8402 -31.8930 0.0562 556683.9040 8.8526 8.7498 PRESSURE: 3572800 -52.1326 -5.57887 -15.6142 -5.57998 209.905 -36.7468 -15.6146 -36.7481 40.8531 GPRESSURE: 3572800 -79.2691 -83.6718 47.4264 -35.5019 276.717 1.94965 -86.9415 -53.7906 84.0218 PRESSAVG: 3572800 -36.7574 -35.6575 26.7912 -35.6575 -4.84626 15.4136 26.7913 15.4135 -14.4433 GPRESSAVG: 3572800 -37.8122 -35.2135 27.2653 -37.8897 -4.65757 15.3431 27.5217 15.2357 -13.3193 TIMING: 3572800 CPU: 10751.5, 0.00299801/step Wall: 10751.5, 0.00299801/step, 1.18854 hours remaining, 207.917969 MB of memory in use. ENERGY: 3572800 748.9190 2079.5083 1950.5107 109.9573 -206503.1900 17779.7918 0.0000 0.0000 34456.1021 -149378.4008 300.9137 -183834.5029 -149276.6232 298.9994 66.2084 93.8233 555617.4535 -18.6823 -18.5964 PRESSURE: 3573000 160.638 -69.3833 -52.1225 -69.3828 4.66253 -27.1803 -52.1232 -27.1804 42.8249 GPRESSURE: 3573000 204.723 -62.6708 -12.0756 -159.915 8.14456 4.1176 -115.938 14.2547 101.674 PRESSAVG: 3573000 -23.1855 -32.473 -11.0653 -32.473 23.3913 4.0282 -11.0653 4.02809 11.3236 GPRESSAVG: 3573000 -24.4082 -34.2421 -11.957 -30.3103 24.1 3.29118 -10.7113 5.26028 11.6102 TIMING: 3573000 CPU: 10752.1, 0.00297579/step Wall: 10752.1, 0.00297579/step, 1.17957 hours remaining, 207.917969 MB of memory in use. ENERGY: 3573000 739.7399 2074.0964 1959.1236 129.1434 -205963.1161 17743.4214 0.0000 0.0000 34027.1206 -149290.4708 297.1673 -183317.5914 -149184.5373 299.8556 69.3750 104.8471 556227.7197 3.8431 3.7673 PRESSURE: 3573200 -32.0719 -89.2115 -21.8033 -89.212 173.128 -110.464 -21.8032 -110.465 75.2119 GPRESSURE: 3573200 -20.2729 -33.0684 8.10155 -158.669 193.935 -252.475 46.1777 -9.94342 141.593 PRESSAVG: 3573200 4.21917 43.6777 12.3756 43.6778 21.2593 -6.34873 12.3755 -6.34879 -10.7392 GPRESSAVG: 3573200 3.75793 45.4394 13.423 43.1154 21.6355 -5.16965 12.3108 -5.10805 -10.0184 TIMING: 3573200 CPU: 10752.7, 0.00298506/step Wall: 10752.7, 0.00298506/step, 1.18308 hours remaining, 207.917969 MB of memory in use. ENERGY: 3573200 732.3052 2091.0010 1941.5516 127.3459 -206134.4742 17801.1103 0.0000 0.0000 34244.0424 -149197.1179 299.0617 -183441.1602 -149104.7040 298.7624 72.0894 105.0848 556123.3789 4.9131 5.1250 PRESSURE: 3573400 107.537 -96.4672 16.2888 -96.4673 36.2072 -72.081 16.2891 -72.0788 117.996 GPRESSURE: 3573400 106.75 -26.375 -75.9144 -163.682 121.118 -29.7135 79.3823 -8.96717 129.487 PRESSAVG: 3573400 -57.7554 15.6536 -3.00751 15.6536 96.9647 2.89108 -3.0075 2.89116 5.79072 GPRESSAVG: 3573400 -57.9916 14.2398 -3.21918 16.5916 98.5197 3.9594 -2.53925 1.52668 4.15416 TIMING: 3573400 CPU: 10753.3, 0.00298889/step Wall: 10753.3, 0.00298889/step, 1.18443 hours remaining, 207.917969 MB of memory in use. ENERGY: 3573400 741.7612 2077.3858 1977.3606 109.7815 -206186.9928 17811.0779 0.0000 0.0000 34412.8498 -149056.7761 300.5360 -183469.6259 -148967.2017 300.7316 87.2468 119.1183 556520.2219 15.0000 14.8941 PRESSURE: 3573600 -111.044 231.774 137.709 231.775 139.187 44.9136 137.708 44.9141 157.95 GPRESSURE: 3573600 -17.6266 251.515 96.7035 236.306 132.185 58.5604 108.3 23.4448 182.538 PRESSAVG: 3573600 -13.309 29.0821 -14.6379 29.0822 83.3217 7.66493 -14.638 7.66503 -38.0018 GPRESSAVG: 3573600 -11.6961 30.3411 -15.0546 28.7666 81.6189 7.66448 -15.7673 9.28001 -37.8544 TIMING: 3573600 CPU: 10753.9, 0.00297249/step Wall: 10753.9, 0.00297249/step, 1.17777 hours remaining, 207.917969 MB of memory in use. ENERGY: 3573600 749.4475 2044.6713 1953.9367 102.2237 -206264.9429 17874.3740 0.0000 0.0000 34480.1749 -149060.1148 301.1239 -183540.2897 -148955.0715 300.2319 62.0309 99.0319 556598.7109 10.6703 10.6895 PRESSURE: 3573800 -111.229 112.145 14.0712 112.146 -37.5487 47.0807 14.0705 47.082 154.888 GPRESSURE: 3573800 -104.505 -3.70661 42.0782 61.9063 38.4995 8.90341 56.8855 46.4458 172.887 PRESSAVG: 3573800 -9.48517 56.5039 -3.45419 56.5039 -40.6655 -70.1341 -3.45427 -70.1341 55.9789 GPRESSAVG: 3573800 -10.3426 55.2272 -1.464 57.678 -40.2002 -70.3881 -2.88788 -72.1774 56.5292 TIMING: 3573800 CPU: 10754.5, 0.00296922/step Wall: 10754.5, 0.00296922/step, 1.17631 hours remaining, 207.917969 MB of memory in use. ENERGY: 3573800 702.9733 2096.9220 1946.1712 114.6102 -205765.9003 17627.2730 0.0000 0.0000 34319.9874 -148957.9630 299.7250 -183277.9505 -148868.8049 299.9649 2.0368 35.6273 557591.8081 1.9427 1.9954 PRESSURE: 3574000 121.835 114.131 36.0447 114.13 -98.2185 20.6669 36.0444 20.6662 -511.706 GPRESSURE: 3574000 46.6492 50.9448 -8.62442 108.705 -32.3084 55.6518 91.8627 -7.00203 -416.9 PRESSAVG: 3574000 20.6794 32.7589 -38.7169 32.7589 1.9388 -25.3996 -38.7168 -25.3997 10.6603 GPRESSAVG: 3574000 20.1064 30.2327 -40.9376 32.9739 2.17014 -24.4837 -37.4065 -26.7017 11.2241 TIMING: 3574000 CPU: 10755.1, 0.00296063/step Wall: 10755.1, 0.00296063/step, 1.17274 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: 3574000 749.0436 2084.5372 1940.8236 113.4081 -205958.3253 17506.7527 0.0000 0.0000 34276.0922 -149287.6679 299.3416 -183563.7601 -149184.0037 299.8872 -162.6963 -134.1865 557249.0752 11.0928 11.1669 PRESSURE: 3574200 57.1449 -75.4981 -49.0487 -75.498 282.097 -52.7497 -49.0484 -52.7486 -42.7952 GPRESSURE: 3574200 75.4252 -58.6668 -92.7023 58.2594 300.567 94.3498 39.8857 -44.4161 15.185 PRESSAVG: 3574200 5.05649 39.207 -16.0995 39.207 39.2726 -3.64712 -16.0996 -3.647 -17.6076 GPRESSAVG: 3574200 5.87673 40.699 -15.3604 40.379 39.6074 -4.90295 -18.115 -0.772914 -18.949 TIMING: 3574200 CPU: 10755.7, 0.00297706/step Wall: 10755.7, 0.00297706/step, 1.17908 hours remaining, 208.121094 MB of memory in use. ENERGY: 3574200 727.7862 2101.8947 1955.1338 122.6782 -206232.0367 17792.9044 0.0000 0.0000 34306.4004 -149225.2390 299.6063 -183531.6394 -149127.5011 299.5357 98.8155 130.3923 555642.4469 8.9072 8.8450 PRESSURE: 3574400 87.7567 11.8178 -52.8855 11.8177 15.2034 -9.4817 -52.885 -9.48093 89.2754 GPRESSURE: 3574400 79.5904 22.0364 -113.638 -79.3435 38.8943 -25.3101 -77.6902 16.1117 173.636 PRESSAVG: 3574400 -1.89266 19.6812 -28.9357 19.6812 0.338368 57.7129 -28.9356 57.713 -6.09045 GPRESSAVG: 3574400 -1.5453 19.489 -30.3648 18.5852 -1.04538 55.4857 -28.5086 58.8791 -5.03523 TIMING: 3574400 CPU: 10756.3, 0.0029963/step Wall: 10756.3, 0.0029963/step, 1.18653 hours remaining, 208.121094 MB of memory in use. ENERGY: 3574400 721.3621 2104.8284 1939.9240 110.3996 -206015.6389 17681.2649 0.0000 0.0000 34166.4496 -149291.4104 298.3841 -183457.8600 -149196.8703 299.3445 64.0785 97.3735 556483.6949 -2.5482 -2.5420 PRESSURE: 3574600 -405.906 156.764 42.4603 156.763 -192.867 -53.5347 42.4592 -53.5344 -467.143 GPRESSURE: 3574600 -376.87 178.066 84.2858 147.032 -146.007 -8.1099 25.0652 -115.693 -430.071 PRESSAVG: 3574600 18.1251 21.2118 -23.7251 21.2117 -22.2106 80.6721 -23.725 80.672 0.303525 GPRESSAVG: 3574600 16.2594 22.926 -23.4525 20.1246 -20.7193 84.9714 -23.0838 78.4053 0.180528 TIMING: 3574600 CPU: 10756.9, 0.00300719/step Wall: 10756.9, 0.00300719/step, 1.19068 hours remaining, 208.121094 MB of memory in use. ENERGY: 3574600 711.0780 2105.5316 1934.6692 117.3342 -205370.6226 17173.5088 0.0000 0.0000 34147.1248 -149181.3761 298.2153 -183328.5009 -149086.2290 299.1410 -355.3053 -317.6494 557923.2958 -1.2606 -1.4264 PRESSURE: 3574800 -525.283 -25.6016 67.6346 -25.6031 -75.6875 -0.299164 67.6346 -0.298495 -137.115 GPRESSURE: 3574800 -442.37 -26.4682 25.0406 -63.6007 -87.9652 -37.4607 140.483 51.7166 -115.615 PRESSAVG: 3574800 -37.9267 11.0475 36.3711 11.0475 -2.6373 39.7193 36.3711 39.7194 28.1402 GPRESSAVG: 3574800 -36.7054 8.95577 36.9443 10.9373 -3.76024 35.9535 36.3032 40.4987 27.986 TIMING: 3574800 CPU: 10757.5, 0.0029754/step Wall: 10757.5, 0.0029754/step, 1.17793 hours remaining, 208.121094 MB of memory in use. ENERGY: 3574800 710.7462 2069.9928 1930.6411 112.1335 -205552.4890 17435.7358 0.0000 0.0000 34194.7945 -149098.4450 298.6316 -183293.2395 -149006.6767 298.8607 -246.0285 -215.3167 558621.0060 -4.1413 -4.1599 PRESSURE: 3575000 79.3229 -136.566 -66.5525 -136.566 88.5383 -102.824 -66.5538 -102.825 -276.973 GPRESSURE: 3575000 108.053 -163.678 -112.888 -170.83 94.2825 -114.17 -57.9642 -98.9066 -219.388 PRESSAVG: 3575000 -30.7691 -57.006 -24.9363 -57.006 18.6729 -3.55086 -24.9363 -3.55085 71.7521 GPRESSAVG: 3575000 -31.0287 -55.5277 -24.2259 -55.7939 19.0767 -2.05602 -25.3639 -3.59342 71.3886 TIMING: 3575000 CPU: 10758.1, 0.00295322/step Wall: 10758.1, 0.00295322/step, 1.16898 hours remaining, 208.121094 MB of memory in use. ENERGY: 3575000 753.3338 2006.9419 1965.3081 124.5251 -205598.6701 17665.7919 0.0000 0.0000 34298.7846 -148783.9848 299.5398 -183082.7694 -148687.7492 299.8521 -36.3706 -5.6842 558380.7966 19.8853 19.8122 PRESSURE: 3575200 -62.8289 -41.7421 -110.793 -41.7405 -19.7567 126.485 -110.794 126.486 -58.7982 GPRESSURE: 3575200 -34.42 -76.5571 -30.9092 10.1946 -10.9373 69.462 -61.7584 147.427 6.18511 PRESSAVG: 3575200 -155.299 -74.4394 -14.2241 -74.4393 33.8568 50.7919 -14.224 50.7919 98.0477 GPRESSAVG: 3575200 -156.37 -75.1657 -13.8391 -75.5628 34.7167 51.444 -13.8941 49.6838 98.3035 TIMING: 3575200 CPU: 10758.7, 0.00297008/step Wall: 10758.7, 0.00297008/step, 1.17549 hours remaining, 208.121094 MB of memory in use. ENERGY: 3575200 737.2062 2084.8982 1955.5277 97.3061 -205650.8118 17606.6488 0.0000 0.0000 34296.2147 -148873.0100 299.5174 -183169.2248 -148772.7185 300.0460 -47.1279 -13.0574 559420.8170 -7.7981 -7.7831 PRESSURE: 3575400 -100.425 -19.8331 55.0215 -19.8335 -298.143 -3.13284 55.0195 -3.13275 -120.586 GPRESSURE: 3575400 -65.7843 -46.0818 28.7917 -32.2978 -229.301 -9.56304 71.4267 -80.0753 -116.807 PRESSAVG: 3575400 -52.1112 25.2406 -60.9796 25.2406 44.5853 0.909317 -60.9797 0.909246 -34.6542 GPRESSAVG: 3575400 -50.6503 26.1883 -61.1072 26.7199 43.2345 1.9114 -60.8804 -0.391086 -34.2462 TIMING: 3575400 CPU: 10759.3, 0.00299101/step Wall: 10759.3, 0.00299101/step, 1.18361 hours remaining, 208.121094 MB of memory in use. ENERGY: 3575400 752.3400 2149.2563 1931.8114 102.0065 -205403.7454 17345.6178 0.0000 0.0000 34206.3971 -148916.3162 298.7330 -183122.7132 -148818.7574 300.0453 -173.0515 -137.2976 558589.9161 -14.0600 -13.8873 PRESSURE: 3575600 71.5877 -105.193 -127.317 -105.193 13.97 184.387 -127.317 184.387 -26.9517 GPRESSURE: 3575600 16.1853 -109.927 -144.589 -95.9013 77.6185 239.603 -44.4612 194.717 68.4078 PRESSAVG: 3575600 27.4408 -17.9889 -43.8269 -17.989 36.8737 18.8289 -43.8269 18.8288 -66.5902 GPRESSAVG: 3575600 26.1236 -18.4538 -43.2809 -18.3404 37.7587 16.4318 -44.9822 20.7444 -66.604 TIMING: 3575600 CPU: 10759.9, 0.00299029/step Wall: 10759.9, 0.00299029/step, 1.18316 hours remaining, 208.121094 MB of memory in use. ENERGY: 3575600 726.8157 2094.9788 1935.3904 111.3438 -205723.9155 17699.1185 0.0000 0.0000 34316.0368 -148840.2316 299.6905 -183156.2684 -148748.9469 299.9176 19.5353 54.0705 556861.1226 -0.7586 -0.9072 PRESSURE: 3575800 -29.1533 33.9606 51.0945 33.96 -61.1721 -2.58839 51.095 -2.5873 130.753 GPRESSURE: 3575800 -13.8679 44.2959 68.5188 27.9767 -35.7292 -12.9288 22.5893 8.01741 183.872 PRESSAVG: 3575800 14.6161 -14.2169 -20.0891 -14.217 36.5575 75.4898 -20.089 75.4897 -41.1752 GPRESSAVG: 3575800 13.7897 -13.3939 -20.1508 -14.7306 37.9353 75.1224 -20.3752 76.526 -41.4378 TIMING: 3575800 CPU: 10760.5, 0.00298654/step Wall: 10760.5, 0.00298654/step, 1.18151 hours remaining, 208.121094 MB of memory in use. ENERGY: 3575800 701.2445 2131.4329 1946.9654 107.6600 -205602.4885 17576.2666 0.0000 0.0000 34461.6105 -148677.3087 300.9618 -183138.9192 -148576.7885 300.8417 13.4760 44.7581 558081.2708 3.3328 3.4291 PRESSURE: 3576000 25.4879 -133.997 90.1044 -133.998 80.3837 -171.177 90.1057 -171.176 74.9469 GPRESSURE: 3576000 22.5119 -79.6834 115.293 -157.14 129.847 -195.478 48.5622 -71.5626 123.106 PRESSAVG: 3576000 4.6932 4.47326 -55.3887 4.47329 -3.91956 -0.197772 -55.3886 -0.197862 7.35758 GPRESSAVG: 3576000 6.56236 4.13109 -56.1045 3.07676 -5.08238 1.13103 -53.4596 -1.39762 6.92247 TIMING: 3576000 CPU: 10761.1, 0.00299411/step Wall: 10761.1, 0.00299411/step, 1.18434 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: 3576000 741.5233 2115.8892 1963.1797 103.7167 -205647.6270 17643.9791 0.0000 0.0000 34393.4719 -148685.8670 300.3667 -183079.3389 -148591.5990 301.2844 60.2728 91.8214 559044.9714 2.7104 2.8008 PRESSURE: 3576200 -71.1382 198.142 -60.0905 198.144 -510.334 97.7933 -60.0897 97.7927 -134.238 GPRESSURE: 3576200 -62.2461 213.66 6.26749 173.405 -465.672 51.8604 -154.703 125.559 -83.5526 PRESSAVG: 3576200 31.3222 4.95598 -44.4669 4.95594 -13.8284 -35.1129 -44.467 -35.1129 17.0451 GPRESSAVG: 3576200 31.2812 3.74495 -44.8544 6.54706 -13.6377 -34.8554 -46.4734 -36.4201 17.2863 TIMING: 3576200 CPU: 10761.7, 0.00298783/step Wall: 10761.7, 0.00298783/step, 1.18169 hours remaining, 208.121094 MB of memory in use. ENERGY: 3576200 778.1764 2072.6229 1936.2558 119.3035 -205608.1294 17588.3099 0.0000 0.0000 34197.7431 -148915.7177 298.6574 -183113.4608 -148817.9684 300.3586 -238.5702 -203.8236 559534.8518 11.5130 11.6433 LDB: ============= START OF LOAD BALANCING ============== 10765.2 LDB: ============== END OF LOAD BALANCING =============== 10765.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10765.2 LDB: ============= START OF LOAD BALANCING ============== 10765.5 LDB: Largest compute 4802 load 0.028937 is 24.5% of average load 0.118140 LDB: Average compute 0.001722 is 1.5% of average load 0.118140 LDB: TIME 10765.5 LOAD: AVG 0.11814 MAX 0.210538 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.941 MB LDB: TIME 10765.5 LOAD: AVG 0.11814 MAX 0.210538 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.941 MB LDB: TIME 10765.5 LOAD: AVG 0.11814 MAX 0.210538 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.941 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10765.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10765.5 PRESSURE: 3576400 -203.943 76.9065 -42.3224 76.9071 -171.527 46.9398 -42.3232 46.9392 -96.547 GPRESSURE: 3576400 -147.697 139.833 -26.5494 19.2058 -165.9 13.0694 -71.397 115.545 -72.9578 PRESSAVG: 3576400 -57.3705 14.5388 -46.8909 14.5389 9.82074 29.0094 -46.8908 29.0095 49.6321 GPRESSAVG: 3576400 -57.1938 16.3791 -47.0477 14.0443 10.5628 29.1427 -45.8717 28.6232 49.0021 TIMING: 3576400 CPU: 10762.3, 0.0030397/step Wall: 10762.3, 0.0030397/step, 1.20203 hours remaining, 207.917969 MB of memory in use. ENERGY: 3576400 735.2429 2061.2651 1956.5482 108.6049 -205537.4162 17407.6628 0.0000 0.0000 34326.0100 -148942.0824 299.7776 -183268.0924 -148853.7469 299.5766 -157.3393 -128.8518 558083.3402 0.6941 0.7903 PRESSURE: 3576600 -127.997 9.14165 -175.138 9.14249 -56.4304 -22.1407 -175.138 -22.141 -118.767 GPRESSURE: 3576600 -49.2423 -18.3987 -162.123 62.8179 -63.7289 -29.7717 -196.297 -46.7643 -87.9631 PRESSAVG: 3576600 66.2057 16.253 -84.5914 16.253 -43.7752 66.1584 -84.5915 66.1585 -8.4659 GPRESSAVG: 3576600 65.6807 14.3543 -83.284 17.8413 -42.7479 66.3683 -83.6619 67.2066 -8.53431 TIMING: 3576600 CPU: 10762.9, 0.00300684/step Wall: 10762.9, 0.00300684/step, 1.18887 hours remaining, 207.917969 MB of memory in use. ENERGY: 3576600 737.8192 2069.1069 1955.3317 121.4369 -205748.9478 17533.4468 0.0000 0.0000 34459.8167 -148871.9895 300.9462 -183331.8062 -148776.2990 300.0226 -101.0648 -66.9781 555827.2531 4.6549 4.7995 PRESSURE: 3576800 -114.78 191.956 -327.465 191.956 -77.9134 -28.7893 -327.465 -28.7888 -4.58023 GPRESSURE: 3576800 -31.6758 220.068 -361.533 177.592 -71.7363 -107.145 -329.274 12.2072 5.92173 PRESSAVG: 3576800 -38.3137 -1.43154 -49.2668 -1.43151 11.3742 42.8789 -49.2668 42.8789 23.4185 GPRESSAVG: 3576800 -38.2411 1.61973 -50.829 -4.83921 10.3915 41.2733 -50.2326 42.7463 24.4929 TIMING: 3576800 CPU: 10763.5, 0.00299223/step Wall: 10763.5, 0.00299223/step, 1.18293 hours remaining, 207.917969 MB of memory in use. ENERGY: 3576800 737.5726 2022.9313 1941.3393 111.4467 -205719.3403 17461.5111 0.0000 0.0000 34377.0080 -149067.5312 300.2230 -183444.5392 -148965.6374 299.8567 -65.7578 -32.4968 557220.4497 -1.1737 -1.1189 PRESSURE: 3577000 156.918 -17.8272 -29.8563 -17.827 -326.197 -44.3676 -29.8561 -44.3692 -10.3486 GPRESSURE: 3577000 180.543 35.7921 41.6677 12.3732 -256.919 -148.333 -17.9821 -5.74745 -4.43388 PRESSAVG: 3577000 -39.3604 36.5443 14.4014 36.5444 5.37357 15.834 14.4014 15.834 -17.5183 GPRESSAVG: 3577000 -38.6589 34.9286 13.5823 37.142 5.20131 16.857 16.26 15.7628 -17.2202 TIMING: 3577000 CPU: 10764.1, 0.00300338/step Wall: 10764.1, 0.00300338/step, 1.18717 hours remaining, 207.917969 MB of memory in use. ENERGY: 3577000 784.1121 2120.8578 1944.9022 111.9497 -206060.2463 17693.7670 0.0000 0.0000 34319.0833 -149085.5744 299.7171 -183404.6577 -148984.0599 299.7055 -59.8758 -26.9364 555542.1208 -17.1684 -16.8926 PRESSURE: 3577200 111.991 102.397 -28.2944 102.397 -186.803 61.6161 -28.295 61.6157 -122.791 GPRESSURE: 3577200 128.454 125.083 -21.1791 5.87639 -141.11 13.4606 -60.6106 64.498 -89.5666 PRESSAVG: 3577200 57.71 69.1631 32.7569 69.163 30.9773 13.7622 32.757 13.7622 -3.62923 GPRESSAVG: 3577200 56.972 69.7606 33.0723 69.875 31.2511 12.4527 30.3442 16.7127 -3.30178 TIMING: 3577200 CPU: 10764.7, 0.00299631/step Wall: 10764.7, 0.00299631/step, 1.18421 hours remaining, 207.917969 MB of memory in use. ENERGY: 3577200 760.8362 2093.6916 1923.5626 126.2236 -206302.6390 17799.9794 0.0000 0.0000 34477.1863 -149121.1592 301.0978 -183598.3456 -149023.3423 300.7746 -65.8673 -34.0743 556279.8522 28.3527 28.3071 PRESSURE: 3577400 -114.952 -119.243 119.836 -119.245 86.7683 20.0903 119.836 20.0916 256.995 GPRESSURE: 3577400 -105.412 -188.56 74.6826 -13.0908 100.789 30.0949 97.9107 35.4854 349.1 PRESSAVG: 3577400 64.1136 -16.6244 9.38918 -16.6243 -52.7687 45.6237 9.38921 45.6236 -34.1729 GPRESSAVG: 3577400 64.0638 -17.6737 9.35098 -17.0337 -51.675 47.2932 9.52209 42.4825 -34.7912 TIMING: 3577400 CPU: 10765.3, 0.00300715/step Wall: 10765.3, 0.00300715/step, 1.18832 hours remaining, 207.917969 MB of memory in use. ENERGY: 3577400 759.0617 2053.4363 1957.9449 119.4761 -206392.9628 17921.6894 0.0000 0.0000 34333.0780 -149248.2763 299.8393 -183581.3543 -149152.6953 299.7452 76.2704 114.8257 555038.8217 -7.6093 -7.4675 PRESSURE: 3577600 42.1929 -103.569 -151.923 -103.57 -260.978 -185.012 -151.922 -185.013 -117.483 GPRESSURE: 3577600 100.369 -128.964 -174.105 -69.244 -264.25 -88.9751 -31.1637 -215.404 -76.7663 PRESSAVG: 3577600 16.9127 -11.2383 -10.0297 -11.2383 -22.9893 -1.65975 -10.0297 -1.65972 17.3939 GPRESSAVG: 3577600 16.1123 -9.70944 -7.49744 -10.3659 -23.6685 -0.456061 -9.57518 -1.93463 18.4302 TIMING: 3577600 CPU: 10765.9, 0.00298152/step Wall: 10765.9, 0.00298152/step, 1.17803 hours remaining, 207.917969 MB of memory in use. ENERGY: 3577600 724.3445 2064.9733 1962.3095 120.7493 -206481.7193 17815.6323 0.0000 0.0000 34255.2102 -149538.5002 299.1593 -183793.7104 -149431.0870 299.1380 -112.0892 -80.2158 557563.9391 3.7725 3.6247 PRESSURE: 3577800 38.0958 -84.0709 18.6412 -84.0728 300.236 -46.2194 18.6416 -46.2193 37.5535 GPRESSURE: 3577800 80.2168 -149.939 73.4594 -50.3159 310.064 -141.58 -4.37295 -23.3254 79.1709 PRESSAVG: 3577800 6.13168 32.4157 -36.501 32.4156 -1.7509 -15.829 -36.5011 -15.829 -5.82306 GPRESSAVG: 3577800 6.08532 31.1368 -39.4477 30.9134 -1.83195 -16.8426 -36.7409 -14.2506 -5.39348 TIMING: 3577800 CPU: 10766.5, 0.00298287/step Wall: 10766.5, 0.00298287/step, 1.1784 hours remaining, 207.917969 MB of memory in use. ENERGY: 3577800 720.1209 2120.5841 1931.8535 120.6714 -206536.4549 18066.3665 0.0000 0.0000 33998.8090 -149578.0494 296.9201 -183576.8584 -149481.5434 297.8610 125.2952 156.4840 556257.3405 -0.4808 -0.3800 PRESSURE: 3578000 -182.633 44.1712 91.983 44.1716 -58.2305 -91.1578 91.9829 -91.1558 -57.6006 GPRESSURE: 3578000 -128.261 -3.76659 152.87 92.4375 -55.0272 -149.281 43.8488 -66.6041 -19.556 PRESSAVG: 3578000 48.8563 -120.091 40.6116 -120.091 11.2182 -11.1762 40.6115 -11.1764 -49.5702 GPRESSAVG: 3578000 49.5175 -121.051 43.2958 -117.393 11.679 -14.3966 39.7685 -10.7133 -50.8396 TIMING: 3578000 CPU: 10767.1, 0.00301122/step Wall: 10767.1, 0.00301122/step, 1.18943 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: 3578000 764.5753 1950.6805 1954.9657 110.2922 -206676.5875 17839.4511 0.0000 0.0000 34292.5859 -149764.0367 299.4857 -184056.6227 -149672.5829 297.8648 -99.4879 -67.6146 556686.5314 3.5014 3.4523 PRESSURE: 3578200 134.102 -117.235 -94.2589 -117.233 99.1944 20.8468 -94.2576 20.8477 16.5683 GPRESSURE: 3578200 176.776 -148.34 -42.605 -127.039 83.3959 19.9231 -173.46 7.14844 78.3308 PRESSAVG: 3578200 -8.74812 18.0182 54.2949 18.0181 7.12784 0.107477 54.2949 0.10736 50.0933 GPRESSAVG: 3578200 -9.2322 18.787 52.9156 18.6357 6.57055 1.81897 55.5163 -0.396368 51.4369 TIMING: 3578200 CPU: 10767.7, 0.0030165/step Wall: 10767.7, 0.0030165/step, 1.19135 hours remaining, 207.917969 MB of memory in use. ENERGY: 3578200 745.2033 2046.8470 1935.7195 126.9426 -206395.1148 17854.5661 0.0000 0.0000 33927.5232 -149758.3131 296.2975 -183685.8364 -149667.6792 297.7713 83.2882 112.8343 556225.2108 16.1577 16.2584 PRESSURE: 3578400 -145.899 -16.7105 -16.8122 -16.7116 58.7427 70.1654 -16.8114 70.1649 -45.6757 GPRESSURE: 3578400 -156.661 -46.6648 -21.2678 -68.0084 108.95 44.4345 -46.9678 56.6997 9.34904 PRESSAVG: 3578400 -61.7725 -3.49668 -53.5791 -3.49671 41.922 22.4149 -53.5791 22.4148 -21.293 GPRESSAVG: 3578400 -61.4188 -2.14513 -50.4419 -5.39975 40.7674 22.6022 -54.3941 21.2268 -20.9056 TIMING: 3578400 CPU: 10768.3, 0.00301632/step Wall: 10768.3, 0.00301632/step, 1.19111 hours remaining, 207.917969 MB of memory in use. ENERGY: 3578400 744.1940 2021.0215 1927.4810 120.4872 -206399.0255 17836.4486 0.0000 0.0000 34031.4992 -149717.8940 297.2055 -183749.3933 -149620.6242 298.1078 -44.2774 -12.7874 558094.5865 -13.7145 -13.8523 PRESSURE: 3578600 22.6258 49.5189 4.6437 49.5181 -38.631 -97.6962 4.64389 -97.6965 -51.426 GPRESSURE: 3578600 124.771 21.7987 64.1806 -11.3171 -5.86144 -74.5319 19.9206 14.9055 -71.1581 PRESSAVG: 3578600 -16.1048 -14.0709 -48.8746 -14.0709 -11.797 18.3964 -48.8746 18.3964 11.5632 GPRESSAVG: 3578600 -16.3808 -16.348 -50.662 -12.1792 -11.8822 19.3869 -49.0781 19.248 11.8982 TIMING: 3578600 CPU: 10768.9, 0.00298437/step Wall: 10768.9, 0.00298437/step, 1.17833 hours remaining, 207.917969 MB of memory in use. ENERGY: 3578600 762.2419 2082.0736 1918.3510 118.8191 -206468.8267 17862.0234 0.0000 0.0000 34332.1346 -149393.1831 299.8311 -183725.3178 -149289.9146 298.9195 -22.4771 15.9171 556866.2379 -5.4462 -5.4549 PRESSURE: 3578800 104.247 1.86612 139.781 1.86505 -79.4283 -80.344 139.781 -80.3448 227.522 GPRESSURE: 3578800 137.992 -13.5227 82.4853 7.12248 -67.4761 -124.132 109.575 -23.081 272.525 PRESSAVG: 3578800 24.6605 -3.5366 -12.3341 -3.53653 -60.6881 6.28291 -12.3342 6.2828 19.3953 GPRESSAVG: 3578800 25.7747 -0.519116 -13.809 -6.03361 -60.7405 5.22303 -12.1424 7.39661 17.901 TIMING: 3578800 CPU: 10769.5, 0.00300768/step Wall: 10769.5, 0.00300768/step, 1.18737 hours remaining, 207.917969 MB of memory in use. ENERGY: 3578800 718.3916 2034.5948 1943.2674 106.1528 -206354.8465 17915.9156 0.0000 0.0000 34143.5749 -149492.9493 298.1843 -183636.5243 -149396.0374 298.4366 84.1136 114.3468 558193.8434 -5.5441 -5.6883 PRESSURE: 3579000 23.6165 29.8737 27.5145 29.8737 261.565 78.9416 27.5159 78.9412 -204.868 GPRESSURE: 3579000 100.48 51.1494 44.3387 22.3117 210.44 93.6671 -22.6274 51.777 -132.517 PRESSAVG: 3579000 -10.1403 -0.94078 -3.68963 -0.940747 -16.3169 -17.9955 -3.6897 -17.9954 45.2942 GPRESSAVG: 3579000 -11.2335 -1.94519 -3.574 2.23762 -16.6252 -18.6374 -3.22984 -18.7615 46.3554 TIMING: 3579000 CPU: 10770.1, 0.00302979/step Wall: 10770.1, 0.00302979/step, 1.19593 hours remaining, 207.917969 MB of memory in use. ENERGY: 3579000 696.6949 2090.5603 1958.0685 118.3556 -206529.4144 17892.8334 0.0000 0.0000 34411.3008 -149361.6008 300.5224 -183772.9017 -149268.8784 298.2393 26.7710 59.4676 557056.1547 6.2790 6.1656 PRESSURE: 3579200 -77.3122 -49.1846 -231.43 -49.1835 -259.934 -50.8552 -231.43 -50.8551 -28.1864 GPRESSURE: 3579200 -19.8899 -112.93 -160.901 52.3353 -243.471 -71.5401 -163.176 29.9744 -12.7788 PRESSAVG: 3579200 50.0977 -9.72425 -31.9015 -9.72425 -30.8107 41.4052 -31.9015 41.4052 -21.8096 GPRESSAVG: 3579200 49.32 -10.5821 -30.6203 -11.3963 -28.9765 42.4965 -31.6611 41.6377 -22.7192 TIMING: 3579200 CPU: 10770.7, 0.00298291/step Wall: 10770.7, 0.00298291/step, 1.17726 hours remaining, 207.917969 MB of memory in use. ENERGY: 3579200 758.1207 2061.5456 1953.8943 106.0057 -206226.9057 17726.6944 0.0000 0.0000 34206.9186 -149413.7266 298.7375 -183620.6452 -149317.7998 298.7351 -121.8107 -92.0465 558843.5233 -0.8409 -0.7919 PRESSURE: 3579400 203.793 -58.8521 32.7937 -58.8528 87.9316 113.627 32.7935 113.627 63.8122 GPRESSURE: 3579400 199.333 -7.66708 48.4513 -37.669 106.045 98.5649 74.9222 7.98915 166.071 PRESSAVG: 3579400 11.417 -8.3155 -36.9364 -8.3154 12.1866 9.76332 -36.9363 9.76337 10.3054 GPRESSAVG: 3579400 11.5156 -8.82499 -37.8725 -8.46583 12.4618 9.66018 -36.238 8.23353 9.59567 TIMING: 3579400 CPU: 10771.3, 0.00297267/step Wall: 10771.3, 0.00297267/step, 1.17305 hours remaining, 207.917969 MB of memory in use. ENERGY: 3579400 740.7239 2084.3586 1949.8267 128.6794 -206430.9516 17905.7923 0.0000 0.0000 34280.6023 -149340.9684 299.3810 -183621.5707 -149247.3433 299.2609 118.5122 157.1496 557416.8698 11.3030 11.1910 PRESSURE: 3579600 20.2824 -11.4282 -45.3969 -11.4286 -429.449 168.674 -45.3977 168.671 15.4349 GPRESSURE: 3579600 -35.0549 -44.2568 -10.4943 -92.3407 -346.066 105.892 -106.869 133.996 80.5114 PRESSAVG: 3579600 14.8382 3.66429 11.3827 3.66434 -51.667 39.8468 11.3828 39.8468 10.9173 GPRESSAVG: 3579600 15.4577 4.17116 10.2099 2.53648 -51.7478 41.508 8.45234 39.8527 10.1006 TIMING: 3579600 CPU: 10771.9, 0.00299794/step Wall: 10771.9, 0.00299794/step, 1.18286 hours remaining, 207.917969 MB of memory in use. ENERGY: 3579600 744.6138 2140.7050 1936.1084 109.5937 -205958.2490 17634.8981 0.0000 0.0000 33998.5904 -149393.7396 296.9181 -183392.3300 -149306.8781 298.5724 -131.2440 -100.2031 559010.9774 -8.6372 -8.7298 PRESSURE: 3579800 80.7002 139.428 -23.4848 139.429 -310.602 20.033 -23.4847 20.0335 -45.1223 GPRESSURE: 3579800 135.743 110.652 -134.641 137.94 -316.304 -65.7487 49.8299 15.6912 7.77338 PRESSAVG: 3579800 77.4768 11.5541 26.1894 11.554 -53.111 -22.1625 26.1893 -22.1625 -9.29996 GPRESSAVG: 3579800 76.7029 13.0817 26.3743 11.2386 -53.4544 -22.8742 29.5394 -22.8731 -7.99584 TIMING: 3579800 CPU: 10772.5, 0.00296948/step Wall: 10772.5, 0.00296948/step, 1.17146 hours remaining, 207.917969 MB of memory in use. ENERGY: 3579800 697.9814 2108.7964 1961.7315 114.2752 -206352.3337 17710.2833 0.0000 0.0000 34328.6890 -149430.5769 299.8010 -183759.2659 -149330.2770 298.1260 -91.6748 -57.5959 557749.9930 5.0220 5.0842 PRESSURE: 3580000 -77.2436 121.168 70.371 121.168 -265.257 -149.724 70.3709 -149.724 110.454 GPRESSURE: 3580000 -56.3527 62.2921 167.457 157.045 -192.094 -192.491 -6.6859 -111.218 106.862 PRESSAVG: 3580000 57.9563 40.6168 -18.3722 40.6168 -22.416 6.1269 -18.3721 6.12689 -3.37616 GPRESSAVG: 3580000 58.0883 39.9259 -16.5669 41.1654 -22.852 4.19644 -17.8202 8.88926 -3.26932 TIMING: 3580000 CPU: 10773.1, 0.00298183/step Wall: 10773.1, 0.00298183/step, 1.17617 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: 3580000 742.0097 2119.4836 1964.3263 113.9896 -206376.6732 17689.9952 0.0000 0.0000 34459.7228 -149287.1461 300.9453 -183746.8689 -149194.6762 298.8392 -77.3489 -47.1948 556932.1224 10.7214 10.6557 PRESSURE: 3580200 -426.47 -40.0349 -50.2388 -40.0341 -194.276 75.9036 -50.238 75.904 -282.242 GPRESSURE: 3580200 -376.32 40.5031 -9.6376 -33.2764 -219.016 61.9695 -110.629 58.0705 -211.182 PRESSAVG: 3580200 -24.8926 43.0556 -1.16188 43.0557 -12.2891 10.332 -1.16191 10.332 14.3214 GPRESSAVG: 3580200 -24.2818 45.0158 -1.44784 41.79 -12.315 12.3137 -2.58851 7.50625 14.2201 TIMING: 3580200 CPU: 10773.7, 0.00297534/step Wall: 10773.7, 0.00297535/step, 1.17344 hours remaining, 207.917969 MB of memory in use. ENERGY: 3580200 779.7417 2084.7681 1968.4538 105.7845 -205766.4697 17356.8644 0.0000 0.0000 34189.6523 -149281.2049 298.5867 -183470.8572 -149186.5356 298.8193 -300.9962 -268.8391 558888.7111 -7.6201 -7.4589 LDB: ============= START OF LOAD BALANCING ============== 10777.2 LDB: ============== END OF LOAD BALANCING =============== 10777.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10777.2 LDB: ============= START OF LOAD BALANCING ============== 10777.5 LDB: Largest compute 4802 load 0.029616 is 25.1% of average load 0.118097 LDB: Average compute 0.001721 is 1.5% of average load 0.118097 LDB: TIME 10777.5 LOAD: AVG 0.118097 MAX 0.208431 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.688 MB LDB: TIME 10777.5 LOAD: AVG 0.118097 MAX 0.208431 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.891 MB LDB: TIME 10777.5 LOAD: AVG 0.118097 MAX 0.208431 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.891 MB LDB: ============== END OF LOAD BALANCING =============== 10777.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10777.5 PRESSURE: 3580400 79.1476 68.7138 155.279 68.7126 116.074 -95.6536 155.278 -95.6534 -46.2054 GPRESSURE: 3580400 119.018 53.5088 216.43 67.2189 133.98 -99.1834 116.025 -101.006 -0.163053 PRESSAVG: 3580400 28.267 0.548994 4.73384 0.548971 -69.056 31.7551 4.7339 31.7551 35.8809 GPRESSAVG: 3580400 28.46 -0.368282 4.66681 2.01267 -69.9532 32.6687 5.35867 32.4814 36.8191 TIMING: 3580400 CPU: 10774.3, 0.00305863/step Wall: 10774.3, 0.00305863/step, 1.20612 hours remaining, 211.011719 MB of memory in use. ENERGY: 3580400 704.1092 2088.3537 1977.8178 102.2854 -206135.2551 17763.8103 0.0000 0.0000 34201.3388 -149297.5399 298.6888 -183498.8786 -149195.9988 299.1076 49.6720 84.2780 556365.0658 -1.6360 -1.5580 PRESSURE: 3580600 58.9076 47.3246 -220.487 47.324 6.80147 -74.7723 -220.487 -74.7726 -23.827 GPRESSURE: 3580600 114.352 68.685 -186.805 -71.3317 25.0705 -183.135 -146.372 -87.2484 -0.351303 PRESSAVG: 3580600 5.33726 6.40367 16.0098 6.40377 -61.3746 -34.1239 16.0098 -34.1238 70.4997 GPRESSAVG: 3580600 5.65753 5.58068 16.0995 7.44119 -61.1192 -34.6317 16.3967 -34.0563 69.8175 TIMING: 3580600 CPU: 10774.9, 0.00301619/step Wall: 10774.9, 0.00301619/step, 1.18922 hours remaining, 210.433594 MB of memory in use. ENERGY: 3580600 708.2988 2052.1920 1979.3275 118.1030 -206147.1646 17830.5557 0.0000 0.0000 34199.8631 -149258.8244 298.6759 -183458.6875 -149174.8746 299.0749 13.9607 46.3571 556610.5494 4.8208 4.7853 PRESSURE: 3580800 -134.461 -95.3748 -62.328 -95.3747 -236.645 86.0996 -62.3279 86.0988 -114.571 GPRESSURE: 3580800 -87.7175 -69.1802 -102.146 -80.7122 -211.008 15.9685 -117.977 137.925 -92.578 PRESSAVG: 3580800 24.0228 4.86523 -26.6599 4.86515 -90.4197 19.8764 -26.6599 19.8764 79.8709 GPRESSAVG: 3580800 23.3658 7.22076 -25.4172 4.90068 -89.9388 19.8598 -28.215 19.6665 80.2538 TIMING: 3580800 CPU: 10775.5, 0.00300669/step Wall: 10775.5, 0.00300669/step, 1.1853 hours remaining, 210.433594 MB of memory in use. ENERGY: 3580800 707.5504 2094.3486 1948.1549 97.0139 -205892.5130 17624.8620 0.0000 0.0000 34152.6617 -149267.9215 298.2637 -183420.5832 -149172.9741 298.3896 -161.8926 -130.4344 559005.6583 4.4913 4.5603 PRESSURE: 3581000 -141.806 64.9728 -16.0849 64.9726 -219.132 47.8314 -16.0859 47.8309 246.473 GPRESSURE: 3581000 -99.6617 77.7707 76.2493 39.484 -148.671 89.4245 -75.0454 67.4811 225.56 PRESSAVG: 3581000 -25.3621 -22.7845 -22.5276 -22.7844 -45.3453 30.9511 -22.5277 30.9511 93.302 GPRESSAVG: 3581000 -25.257 -25.7935 -22.9177 -23.6885 -44.6143 31.8215 -22.9258 30.78 92.6168 TIMING: 3581000 CPU: 10776.1, 0.00298313/step Wall: 10776.1, 0.00298313/step, 1.17585 hours remaining, 210.433594 MB of memory in use. ENERGY: 3581000 692.0964 2144.2783 1955.0591 114.9258 -205883.6491 17624.5632 0.0000 0.0000 34155.6331 -149197.0931 298.2896 -183352.7263 -149104.9698 298.8795 -38.1549 -7.5907 558324.8114 7.5315 7.5818 PRESSURE: 3581200 -215.725 12.686 -27.9475 12.6875 -192.93 -3.83213 -27.9474 -3.83193 -88.8878 GPRESSURE: 3581200 -203.857 55.4359 57.1751 -37.1154 -151.065 27.4211 -23.9925 -127.992 -42.1148 PRESSAVG: 3581200 6.97186 17.6234 -21.0045 17.6235 -32.5611 -83.5398 -21.0045 -83.5398 71.381 GPRESSAVG: 3581200 7.81395 19.4431 -21.5921 16.6348 -33.5418 -84.294 -21.2426 -81.8474 71.8906 TIMING: 3581200 CPU: 10776.7, 0.00297606/step Wall: 10776.7, 0.00297606/step, 1.1729 hours remaining, 210.433594 MB of memory in use. ENERGY: 3581200 764.3731 2069.2159 1971.9613 100.2162 -205928.7068 17510.7173 0.0000 0.0000 34027.4240 -149484.7990 297.1700 -183512.2230 -149385.1854 299.1388 -165.8476 -132.3458 557156.8238 15.2639 15.3876 PRESSURE: 3581400 13.4675 38.4665 21.6595 38.4668 -282.756 68.7923 21.6596 68.7913 28.9369 GPRESSURE: 3581400 14.5951 94.8158 -98.6471 22.5448 -209.708 33.3861 157.443 74.4015 56.9622 PRESSAVG: 3581400 -8.29102 20.5495 -75.1853 20.5495 -38.3924 25.1776 -75.1854 25.1775 35.8598 GPRESSAVG: 3581400 -9.1255 19.2662 -74.1385 20.3774 -38.523 23.938 -75.4026 23.9753 36.6721 TIMING: 3581400 CPU: 10777.3, 0.00296496/step Wall: 10777.3, 0.00296496/step, 1.16836 hours remaining, 210.433594 MB of memory in use. ENERGY: 3581400 740.3895 2096.1866 1966.8552 112.8770 -206290.1395 17723.0127 0.0000 0.0000 34131.0197 -149519.7987 298.0747 -183650.8185 -149423.0421 298.3667 -80.1171 -46.0501 557108.8037 -3.6079 -3.6588 PRESSURE: 3581600 166.362 8.06689 46.2427 8.06711 -201.748 -16.7472 46.2431 -16.7478 -117.792 GPRESSURE: 3581600 175.582 -66.3564 55.563 18.8949 -98.0498 -60.4125 -12.9223 13.1981 -139.577 PRESSAVG: 3581600 19.9441 37.2459 -30.5519 37.2459 -16.3363 -16.3528 -30.5519 -16.3529 -47.8607 GPRESSAVG: 3581600 19.5075 35.8875 -32.2837 38.9347 -14.7419 -16.038 -29.9694 -15.841 -48.8104 TIMING: 3581600 CPU: 10777.9, 0.00299659/step Wall: 10777.9, 0.00299659/step, 1.18065 hours remaining, 210.433594 MB of memory in use. ENERGY: 3581600 727.8015 2055.8110 1956.2305 103.9892 -205868.6670 17624.2103 0.0000 0.0000 34005.2503 -149395.3743 296.9763 -183400.6246 -149300.3955 298.7961 -51.0592 -20.6815 558509.4557 -14.7510 -14.6816 PRESSURE: 3581800 178.598 -39.3451 38.4151 -39.3456 -119.648 -58.9325 38.4166 -58.9331 138.967 GPRESSURE: 3581800 206.201 -59.2806 -13.192 -78.6666 -66.3685 11.9732 30.0872 -81.3321 154.626 PRESSAVG: 3581800 -44.5184 -10.3815 -2.27151 -10.3816 4.43298 -40.5648 -2.27144 -40.5648 59.0426 GPRESSAVG: 3581800 -44.2726 -8.58589 -1.0988 -10.9337 4.28954 -40.2276 -1.94559 -40.0283 58.5927 TIMING: 3581800 CPU: 10778.5, 0.00297854/step Wall: 10778.5, 0.00297854/step, 1.17338 hours remaining, 210.433594 MB of memory in use. ENERGY: 3581800 737.2321 2048.6741 1962.2350 107.5353 -206189.6777 17805.4448 0.0000 0.0000 34125.8923 -149402.6640 298.0299 -183528.5564 -149307.9906 298.4610 65.9722 98.1529 556502.9421 6.3191 6.2032 PRESSURE: 3582000 -87.0367 33.4461 43.6783 33.4453 -36.1523 -66.7455 43.679 -66.745 -54.2534 GPRESSURE: 3582000 -95.0779 74.012 -7.29396 56.1473 -17.0805 -83.2751 28.3062 26.3613 34.0642 PRESSAVG: 3582000 14.4552 -14.8497 -31.1601 -14.8498 6.32104 -11.1375 -31.1601 -11.1376 -53.7802 GPRESSAVG: 3582000 15.8036 -16.0269 -32.4039 -13.1669 5.00378 -12.5264 -31.3897 -11.324 -54.0695 TIMING: 3582000 CPU: 10779.1, 0.00297925/step Wall: 10779.1, 0.00297925/step, 1.17349 hours remaining, 210.433594 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: 3582000 763.9771 2065.7907 1946.7027 109.7032 -206358.5838 17840.0315 0.0000 0.0000 34020.6669 -149611.7117 297.1109 -183632.3786 -149513.8062 298.4987 -59.1475 -26.0314 558258.4227 -11.0013 -11.0874 PRESSURE: 3582200 -133.709 0.327822 -27.9078 0.32866 -253.929 54.4626 -27.9085 54.4641 -47.1019 GPRESSURE: 3582200 -88.5183 0.247812 83.4038 -89.359 -221.808 51.0096 -41.2564 -0.522875 -28.8529 PRESSAVG: 3582200 -17.2781 14.1113 -41.0551 14.1114 -4.06828 11.88 -41.0551 11.88 -11.9091 GPRESSAVG: 3582200 -18.768 15.7182 -37.9865 11.5195 -4.59862 13.4085 -40.5759 11.9719 -9.69457 TIMING: 3582200 CPU: 10779.6, 0.00297154/step Wall: 10779.6, 0.00297154/step, 1.17029 hours remaining, 210.433594 MB of memory in use. ENERGY: 3582200 787.7764 2047.2168 1939.6332 119.8312 -206226.1504 17678.2514 0.0000 0.0000 34233.4839 -149419.9574 298.9695 -183653.4413 -149323.9019 297.6366 -144.9135 -113.0598 558153.9428 -11.0851 -11.0204 PRESSURE: 3582400 -123.262 -51.3557 79.9845 -51.3563 71.5892 -12.9362 79.9842 -12.9356 -238.999 GPRESSURE: 3582400 -131.971 10.3838 105.548 -33.4409 88.9482 -33.8897 66.1271 -57.8631 -140.424 PRESSAVG: 3582400 -15.0124 32.5993 -34.5034 32.5994 37.3038 15.4065 -34.5034 15.4065 -5.83281 GPRESSAVG: 3582400 -14.7301 32.421 -36.5988 33.3224 37.8449 14.3714 -34.1206 16.3003 -6.86168 TIMING: 3582400 CPU: 10780.2, 0.00296591/step Wall: 10780.2, 0.00296591/step, 1.16791 hours remaining, 210.433594 MB of memory in use. ENERGY: 3582400 750.2709 2091.5741 1949.9704 113.1487 -205954.2740 17706.6186 0.0000 0.0000 34163.0520 -149179.6391 298.3544 -183342.6911 -149083.5706 299.4452 -96.8904 -61.1489 557129.9871 5.4862 5.4177 PRESSURE: 3582600 -24.1972 23.4868 -39.0497 23.4864 70.282 -19.4211 -39.0507 -19.4216 -180.564 GPRESSURE: 3582600 -29.4088 7.60487 -71.0698 18.6023 123.965 -80.6787 2.9023 58.5501 -135.035 PRESSAVG: 3582600 -9.25187 -16.8098 7.00695 -16.8098 6.08116 -53.92 7.00702 -53.92 24.0911 GPRESSAVG: 3582600 -8.83282 -16.9733 8.10787 -16.0033 6.89703 -52.5094 5.60198 -54.853 23.4029 TIMING: 3582600 CPU: 10780.8, 0.0029756/step Wall: 10780.8, 0.0029756/step, 1.17156 hours remaining, 210.433594 MB of memory in use. ENERGY: 3582600 735.4250 2043.8415 1943.4634 104.2537 -205763.8667 17569.5673 0.0000 0.0000 34063.2806 -149304.0351 297.4831 -183367.3157 -149206.0782 299.1935 -44.8264 -13.4932 556809.1803 6.9735 7.1557 PRESSURE: 3582800 106.578 -89.5853 64.32 -89.5846 18.7072 -145.538 64.3208 -145.538 113.877 GPRESSURE: 3582800 144.117 -188.301 23.4953 14.2827 0.343534 -104.483 -12.2268 -187.117 197.159 PRESSAVG: 3582800 -27.5942 -45.6216 1.17958 -45.6217 -27.7717 -45.6078 1.1796 -45.6077 79.4772 GPRESSAVG: 3582800 -28.5836 -46.02 0.933848 -45.0697 -29.0726 -46.1207 1.68088 -44.8765 81.5654 TIMING: 3582800 CPU: 10781.4, 0.00297252/step Wall: 10781.4, 0.00297252/step, 1.17018 hours remaining, 210.433594 MB of memory in use. ENERGY: 3582800 748.1404 2055.6420 1931.2985 116.6015 -206224.1399 17868.6374 0.0000 0.0000 34174.0137 -149329.8065 298.4502 -183503.8201 -149238.1148 299.0931 79.7206 113.8734 556251.7336 8.0371 7.9697 PRESSURE: 3583000 -117.969 -93.2906 125.007 -93.2899 -107.979 55.5809 125.008 55.5796 -165.691 GPRESSURE: 3583000 -127.182 -69.0278 81.684 -81.1562 -62.1713 74.0465 187.545 102.57 -105.487 PRESSAVG: 3583000 -12.4752 -9.09858 21.1814 -9.09849 24.9524 -8.12537 21.1815 -8.12521 3.40593 GPRESSAVG: 3583000 -11.0234 -10.4733 20.1853 -8.15636 24.352 -8.77751 23.2442 -7.6599 2.60598 TIMING: 3583000 CPU: 10782, 0.00301381/step Wall: 10782, 0.00301381/step, 1.18627 hours remaining, 210.433594 MB of memory in use. ENERGY: 3583000 729.7450 2048.9289 1951.1505 109.3147 -206338.2124 17541.0336 0.0000 0.0000 34522.2607 -149435.7790 301.4915 -183958.0397 -149346.7174 298.8419 -130.5464 -98.2798 556021.6546 5.2944 5.3115 PRESSURE: 3583200 -90.7689 160.761 88.0145 160.761 23.2065 43.206 88.013 43.2067 -65.2732 GPRESSURE: 3583200 -50.5654 128.346 -3.33945 121.419 30.4106 -55.0629 74.4106 118.617 -11.1254 PRESSAVG: 3583200 15.2305 35.2782 24.0737 35.2781 -12.5162 -9.42772 24.0737 -9.42788 7.58152 GPRESSAVG: 3583200 15.4978 36.6789 22.7571 33.8193 -12.5667 -11.335 21.6721 -10.187 6.72905 TIMING: 3583200 CPU: 10782.6, 0.00300569/step Wall: 10782.6, 0.00300569/step, 1.1829 hours remaining, 210.433594 MB of memory in use. ENERGY: 3583200 722.9225 2060.0451 1953.6529 123.6293 -206150.2181 17685.2771 0.0000 0.0000 34239.4438 -149365.2473 299.0216 -183604.6912 -149264.0281 298.9749 -44.2785 -10.4267 557162.6671 3.4320 3.2201 PRESSURE: 3583400 -258.171 59.0594 12.5555 59.0604 -204.302 -26.41 12.556 -26.4092 -205.726 GPRESSURE: 3583400 -233.297 46.1102 48.5906 -20.2607 -166.479 64.472 -97.2128 -84.6613 -164.948 PRESSAVG: 3583400 52.2179 3.72295 -15.3791 3.72297 -101.076 13.8371 -15.3791 13.8371 26.6672 GPRESSAVG: 3583400 52.3262 4.27057 -13.9622 1.95042 -100.002 17.0302 -16.0652 13.0195 25.6523 TIMING: 3583400 CPU: 10783.2, 0.00301264/step Wall: 10783.2, 0.00301264/step, 1.18547 hours remaining, 210.433594 MB of memory in use. ENERGY: 3583400 733.7846 2105.3749 1920.7969 117.5025 -206404.8387 17634.7230 0.0000 0.0000 34292.7884 -149599.8685 299.4874 -183892.6568 -149501.5933 298.7284 -222.7332 -188.2413 556958.1710 -7.3971 -7.3410 PRESSURE: 3583600 -122.749 256.844 2.84296 256.845 67.678 -145.974 2.84303 -145.975 -270.659 GPRESSURE: 3583600 -108.836 290.566 16.3193 224.857 85.9232 -127.79 23.9244 -161.116 -209.506 PRESSAVG: 3583600 1.93884 47.2778 -49.8757 47.2778 24.7863 -4.70558 -49.8757 -4.70561 -31.5771 GPRESSAVG: 3583600 -0.0386919 46.2959 -49.6603 48.9744 24.7831 -4.55478 -47.4751 -5.12649 -29.5098 TIMING: 3583600 CPU: 10783.8, 0.00301181/step Wall: 10783.8, 0.00301182/step, 1.18498 hours remaining, 210.433594 MB of memory in use. ENERGY: 3583600 752.4999 2049.5201 1941.8764 107.1785 -206598.3546 17909.8777 0.0000 0.0000 34341.3369 -149496.0651 299.9114 -183837.4020 -149397.6400 298.8917 -108.5767 -77.4730 556518.0230 -1.6173 -1.5885 PRESSURE: 3583800 -208.727 -155.168 78.9239 -155.169 -93.3255 51.3134 78.9255 51.3133 -101.664 GPRESSURE: 3583800 -161.854 -163.027 59.3702 -170.259 12.405 127.474 40.7082 -9.44513 -151.401 PRESSAVG: 3583800 10.0243 51.1591 -26.3672 51.1592 -9.52941 -44.0326 -26.3672 -44.0326 -15.7276 GPRESSAVG: 3583800 10.9588 49.4745 -26.2521 53.1691 -9.438 -45.5038 -25.195 -43.216 -16.5427 TIMING: 3583800 CPU: 10784.4, 0.00297556/step Wall: 10784.4, 0.00297556/step, 1.17055 hours remaining, 210.433594 MB of memory in use. ENERGY: 3583800 755.9370 2094.2369 1945.4059 111.7215 -206521.5413 17696.9183 0.0000 0.0000 34258.0420 -149659.2799 299.1840 -183917.3218 -149559.1372 298.8295 -134.5722 -100.2833 555133.8289 -5.0776 -5.0073 PRESSURE: 3584000 212.675 -156.522 9.48351 -156.521 240.773 -42.2279 9.48401 -42.2283 74.401 GPRESSURE: 3584000 210.677 -155.554 -45.648 -182.434 253.805 -67.8332 28.485 -99.1814 156.032 PRESSAVG: 3584000 -16.5408 -73.6597 24.9845 -73.6596 4.84761 9.19148 24.9846 9.1915 44.99 GPRESSAVG: 3584000 -17.1167 -72.7293 26.018 -76.8309 4.60413 10.8667 23.5501 8.51971 45.0596 TIMING: 3584000 CPU: 10785, 0.0029771/step Wall: 10785, 0.0029771/step, 1.17099 hours remaining, 210.433594 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: 3584000 767.7407 2080.1936 1941.2962 107.6732 -206507.7911 18002.9474 0.0000 0.0000 34208.0274 -149399.9127 298.7472 -183607.9401 -149303.3658 298.6089 175.9496 206.8380 555135.4877 11.0989 10.8490 PRESSURE: 3584200 -172.579 -59.5185 175.973 -59.5184 -309.895 -123.3 175.973 -123.301 -291.432 GPRESSURE: 3584200 -161.863 56.4231 96.4415 -82.4887 -272.873 -92.7343 167.042 -143.873 -245.834 PRESSAVG: 3584200 -7.21102 6.56167 39.9644 6.56169 -9.24596 -49.3055 39.9644 -49.3055 21.5089 GPRESSAVG: 3584200 -6.85521 5.66072 37.8185 9.37554 -9.53042 -51.8387 39.8109 -48.1235 21.5193 TIMING: 3584200 CPU: 10785.6, 0.00296524/step Wall: 10785.6, 0.00296524/step, 1.16616 hours remaining, 210.433594 MB of memory in use. ENERGY: 3584200 727.9532 2040.0346 1949.9393 115.3084 -205940.9367 17353.0575 0.0000 0.0000 34313.8135 -149440.8302 299.6711 -183754.6437 -149346.0333 298.6218 -257.9685 -226.8564 557008.6983 1.6840 1.7112 LDB: ============= START OF LOAD BALANCING ============== 10789.1 LDB: ============== END OF LOAD BALANCING =============== 10789.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10789.1 LDB: ============= START OF LOAD BALANCING ============== 10789.4 LDB: Largest compute 4802 load 0.029866 is 25.3% of average load 0.118149 LDB: Average compute 0.001724 is 1.5% of average load 0.118149 LDB: TIME 10789.4 LOAD: AVG 0.118149 MAX 0.209157 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.23 MB LDB: TIME 10789.4 LOAD: AVG 0.118149 MAX 0.209157 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.301 MB LDB: TIME 10789.4 LOAD: AVG 0.118149 MAX 0.209157 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.301 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10789.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10789.4 PRESSURE: 3584400 -157.464 82.3963 111.829 82.3969 138.962 60.6614 111.828 60.6635 235.618 GPRESSURE: 3584400 -94.3037 102.661 63.3256 21.3831 173.224 17.1129 -4.76699 42.3959 249.658 PRESSAVG: 3584400 11.7843 10.511 42.3593 10.511 -11.8665 -18.9298 42.3593 -18.9299 -0.226212 GPRESSAVG: 3584400 11.6873 13.039 45.5599 8.13306 -12.4949 -18.2745 40.5227 -19.4721 0.94146 TIMING: 3584400 CPU: 10786.2, 0.00302615/step Wall: 10786.2, 0.00302615/step, 1.18995 hours remaining, 208.687500 MB of memory in use. ENERGY: 3584400 743.7120 2076.4423 1948.9087 114.1711 -206552.0281 17766.7798 0.0000 0.0000 34368.0137 -149534.0004 300.1444 -183902.0142 -149442.2830 298.6484 72.3719 109.5259 555306.8840 -0.1028 0.0446 PRESSURE: 3584600 84.8466 28.1322 -6.21812 28.1312 112.999 100.866 -6.21851 100.867 154.926 GPRESSURE: 3584600 67.7056 73.255 44.8073 -22.2279 141.656 140.084 -74.5932 78.5214 236.722 PRESSAVG: 3584600 8.51548 -3.14778 -5.67905 -3.14783 -108.453 16.839 -5.679 16.8391 82.4196 GPRESSAVG: 3584600 9.1887 -4.13616 -7.89422 -2.53223 -107.287 17.392 -3.5588 18.1161 80.126 TIMING: 3584600 CPU: 10786.8, 0.00297966/step Wall: 10786.8, 0.00297966/step, 1.1715 hours remaining, 208.890625 MB of memory in use. ENERGY: 3584600 736.4267 2101.4041 1967.2169 106.9069 -206348.6617 17912.6793 0.0000 0.0000 34040.5024 -149483.5253 297.2842 -183524.0278 -149389.1811 298.5872 117.5908 148.6947 556290.0627 -5.8394 -5.9908 PRESSURE: 3584800 -85.4449 1.7822 -53.1186 1.78248 -84.6789 67.2729 -53.12 67.2736 129.066 GPRESSURE: 3584800 -72.3491 15.2027 -95.4115 30.4685 -50.6873 59.0773 -76.245 59.3013 184.161 PRESSAVG: 3584800 12.3042 -59.4233 -19.9977 -59.4234 -59.4724 50.9084 -19.9977 50.9084 49.9059 GPRESSAVG: 3584800 11.9878 -60.4354 -19.8698 -58.6999 -60.1994 49.5238 -19.5218 52.9485 50.7993 TIMING: 3584800 CPU: 10787.4, 0.00297267/step Wall: 10787.4, 0.00297267/step, 1.16859 hours remaining, 208.890625 MB of memory in use. ENERGY: 3584800 776.0470 2050.5922 1937.0731 111.3423 -206370.0391 17852.0532 0.0000 0.0000 34222.2928 -149420.6386 298.8718 -183642.9313 -149329.2190 298.2641 -13.6859 20.3747 557555.3442 0.9126 0.8626 PRESSURE: 3585000 27.3306 -98.9486 -121.178 -98.949 -2.85478 13.1132 -121.179 13.1122 -88.5053 GPRESSURE: 3585000 34.8881 -129.705 -157.143 -36.3858 46.0765 -5.55181 -159.154 -14.1809 -50.3423 PRESSAVG: 3585000 -3.24106 22.5554 -40.8768 22.5554 -26.9627 54.9987 -40.8768 54.9986 29.6811 GPRESSAVG: 3585000 -4.12399 23.5812 -40.1922 20.7701 -26.5891 55.867 -44.6053 51.9017 30.4599 TIMING: 3585000 CPU: 10788, 0.00295924/step Wall: 10788, 0.00295924/step, 1.16315 hours remaining, 208.890625 MB of memory in use. ENERGY: 3585000 747.4587 2089.0386 1921.8526 116.9533 -206097.4299 17673.5348 0.0000 0.0000 34208.9216 -149339.6703 298.7550 -183548.5918 -149244.0581 298.3186 -21.3432 10.2074 556728.9372 -0.1742 -0.0844 PRESSURE: 3585200 -150.525 52.3595 39.0337 52.359 178.861 104.304 39.0346 104.303 -11.7148 GPRESSURE: 3585200 -70.45 119.787 75.3981 9.88426 167.988 50.0235 37.7902 64.5282 9.00872 PRESSAVG: 3585200 18.1228 27.3027 -27.2321 27.3027 59.6777 -4.96801 -27.2322 -4.9681 -55.0433 GPRESSAVG: 3585200 19.3887 27.1599 -29.1589 28.2599 59.1375 -5.24413 -21.8446 -5.01451 -55.3757 TIMING: 3585200 CPU: 10788.6, 0.00296239/step Wall: 10788.6, 0.00296239/step, 1.16422 hours remaining, 208.890625 MB of memory in use. ENERGY: 3585200 728.4430 2054.9537 1939.8606 116.7940 -206123.7252 17773.7906 0.0000 0.0000 34269.7290 -149240.1543 299.2861 -183509.8833 -149148.3505 299.1301 5.5404 35.5155 557392.1934 7.5857 7.7168 PRESSURE: 3585400 100.43 -52.6829 -31.4894 -52.6826 22.3824 125.05 -31.4884 125.049 -263.543 GPRESSURE: 3585400 102.773 -102.703 -26.7816 41.2057 38.6081 177.596 -31.085 73.4707 -202.477 PRESSAVG: 3585400 11.6192 6.06839 -33.2059 6.06839 8.09958 49.4345 -33.2059 49.4345 -23.5819 GPRESSAVG: 3585400 11.276 7.2954 -31.3831 4.10691 7.73125 49.3848 -35.4498 49.8231 -22.8026 TIMING: 3585400 CPU: 10789.2, 0.00298533/step Wall: 10789.2, 0.00298533/step, 1.17307 hours remaining, 208.890625 MB of memory in use. ENERGY: 3585400 776.0006 2079.3043 1908.1633 112.2536 -205818.7096 17644.6274 0.0000 0.0000 34100.2994 -149198.0610 297.8064 -183298.3604 -149103.5893 298.9121 -46.9102 -20.3655 557735.6550 -1.2877 -1.2651 PRESSURE: 3585600 130.612 -93.1495 33.6689 -93.1487 -35.0859 90.5099 33.6684 90.5103 74.8435 GPRESSURE: 3585600 189.967 -77.5199 54.6491 -44.7465 1.64902 150.182 15.0518 103.957 70.1063 PRESSAVG: 3585600 1.44232 -1.51069 25.1893 -1.51065 23.7885 21.9515 25.1893 21.9514 -26.0286 GPRESSAVG: 3585600 1.63419 -3.57413 25.6797 0.901709 24.8071 22.3878 26.5503 22.538 -26.7952 TIMING: 3585600 CPU: 10789.8, 0.00301409/step Wall: 10789.8, 0.00301409/step, 1.1842 hours remaining, 208.890625 MB of memory in use. ENERGY: 3585600 706.4391 2048.0272 1930.5859 117.3631 -206252.9070 17946.5397 0.0000 0.0000 34250.2598 -149253.6923 299.1160 -183503.9521 -149157.3590 299.0150 56.7898 87.2409 558068.5658 -0.2659 -0.1180 PRESSURE: 3585800 65.6687 -62.3555 -78.719 -62.3562 -132.273 113.166 -78.7174 113.166 195.037 GPRESSURE: 3585800 54.1872 -97.8153 -82.3103 -4.62978 -62.2453 121.02 -127.988 27.4751 235.493 PRESSAVG: 3585800 47.4976 -46.9381 14.3029 -46.938 -9.7296 -14.8687 14.3029 -14.8687 9.92759 GPRESSAVG: 3585800 47.8954 -46.1969 14.6073 -47.9115 -9.56886 -14.3401 13.9368 -16.6207 9.08048 TIMING: 3585800 CPU: 10790.4, 0.00297868/step Wall: 10790.4, 0.00297868/step, 1.17012 hours remaining, 208.890625 MB of memory in use. ENERGY: 3585800 711.3638 2031.2504 1907.0612 101.0524 -205901.3696 17673.2206 0.0000 0.0000 34178.7198 -149298.7013 298.4913 -183477.4211 -149199.6625 298.9578 42.8108 75.8116 557890.1261 15.8985 15.8023 PRESSURE: 3586000 -98.4439 23.6829 160.189 23.6848 49.8709 77.256 160.189 77.2557 -169.297 GPRESSURE: 3586000 -76.8338 56.0385 97.0527 -55.6014 93.918 112.542 191.163 27.553 -129.358 PRESSAVG: 3586000 -69.4407 -38.8215 -22.2531 -38.8214 47.5423 -5.12674 -22.253 -5.12669 61.9946 GPRESSAVG: 3586000 -70.2384 -37.8507 -22.9674 -38.0026 47.9205 -4.09823 -22.3402 -4.75492 62.4597 TIMING: 3586000 CPU: 10791, 0.00301351/step Wall: 10791, 0.00301351/step, 1.18364 hours remaining, 208.890625 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: 3586000 724.9307 2045.2526 1955.2574 114.6853 -206191.9366 17962.5753 0.0000 0.0000 34182.1983 -149207.0371 298.5216 -183389.2354 -149113.9242 298.5360 -72.6232 -37.4246 559265.8824 13.3654 13.3806 PRESSURE: 3586200 -98.5077 -29.6071 160.864 -29.6057 164.614 61.3769 160.863 61.3765 -15.072 GPRESSURE: 3586200 -92.8627 -27.5446 5.02785 -56.0133 163.664 89.6171 180.142 99.2684 73.3985 PRESSAVG: 3586200 -43.8079 -24.9263 25.1546 -24.9263 64.4362 -6.52161 25.1546 -6.5216 -17.5922 GPRESSAVG: 3586200 -43.4334 -24.9018 24.9999 -24.1211 64.0129 -6.61784 22.8323 -5.31504 -17.6702 TIMING: 3586200 CPU: 10791.6, 0.00301584/step Wall: 10791.6, 0.00301584/step, 1.18439 hours remaining, 208.890625 MB of memory in use. ENERGY: 3586200 780.1116 2037.4622 1934.5640 114.4038 -206037.2580 17799.3632 0.0000 0.0000 34233.5082 -149137.8450 298.9697 -183371.3532 -149039.8596 298.7860 17.0113 48.0665 558386.4148 1.0120 0.9698 PRESSURE: 3586400 207.244 -194.482 165.857 -194.482 219.149 -17.4707 165.858 -17.4696 -293.018 GPRESSURE: 3586400 215.296 -154.184 202.312 -258.225 228.972 50.89 118.793 -15.9374 -216.156 PRESSAVG: 3586400 -21.6448 -23.5038 -2.38186 -23.5038 37.7756 31.7406 -2.3819 31.7407 14.2116 GPRESSAVG: 3586400 -21.8256 -24.2541 -0.0462686 -25.7024 37.6094 29.2334 -3.26077 32.972 14.1409 TIMING: 3586400 CPU: 10792.2, 0.00301609/step Wall: 10792.2, 0.00301609/step, 1.18432 hours remaining, 208.890625 MB of memory in use. ENERGY: 3586400 734.9615 2111.6435 1950.8165 102.3503 -206135.1867 17839.4449 0.0000 0.0000 34183.9922 -149211.9777 298.5373 -183395.9699 -149112.1078 298.8777 44.4583 76.0371 556774.9671 10.1141 9.9749 PRESSURE: 3586600 -8.09547 5.75361 133.354 5.75383 -262.166 0.860043 133.356 0.859988 181.182 GPRESSURE: 3586600 25.1686 -40.0365 100.761 -13.4513 -199.069 41.1289 95.044 -6.61004 185.193 PRESSAVG: 3586600 -34.9804 -28.1192 3.08084 -28.1192 11.1315 -31.589 3.08076 -31.5888 31.9617 GPRESSAVG: 3586600 -35.0693 -29.6289 1.35069 -25.5711 11.873 -31.2775 6.5867 -33.2159 31.4438 TIMING: 3586600 CPU: 10792.8, 0.0030024/step Wall: 10792.8, 0.0030024/step, 1.17878 hours remaining, 208.890625 MB of memory in use. ENERGY: 3586600 778.4020 2121.9661 1923.1622 114.7415 -206107.3662 17761.1650 0.0000 0.0000 34199.8290 -149208.1004 298.6756 -183407.9294 -149102.3984 299.4112 -29.6932 3.7641 556943.6064 2.7042 2.7492 PRESSURE: 3586800 -311.098 78.6543 11.5745 78.652 13.7035 -108.176 11.5746 -108.177 -175.203 GPRESSURE: 3586800 -270.917 71.5359 -70.5051 90.649 7.49446 -101.847 21.8761 -95.2118 -123.506 PRESSAVG: 3586800 -34.663 -40.0539 21.696 -40.0539 12.2138 -13.1692 21.696 -13.1692 66.2633 GPRESSAVG: 3586800 -33.5936 -39.8789 20.2536 -41.5182 10.1422 -13.5215 22.1165 -13.9223 66.5639 TIMING: 3586800 CPU: 10793.4, 0.00298263/step Wall: 10793.4, 0.00298263/step, 1.17085 hours remaining, 208.890625 MB of memory in use. ENERGY: 3586800 816.4443 2078.4697 1947.3444 113.2018 -206324.7463 17750.0438 0.0000 0.0000 34405.8032 -149213.4390 300.4744 -183619.2422 -149114.8762 299.0790 -157.5324 -128.9762 556474.6312 14.6047 14.3708 PRESSURE: 3587000 516.225 181.279 34.8035 181.278 -133.237 -126.658 34.8029 -126.657 121.255 GPRESSURE: 3587000 624.634 155.355 -2.10572 154.323 -113.571 -123.435 48.5499 -125.191 75.2193 PRESSAVG: 3587000 56.9302 52.7827 2.42556 52.7827 -51.3329 -10.0704 2.42558 -10.0705 -14.968 GPRESSAVG: 3587000 56.6414 53.6959 3.7276 53.3418 -50.9646 -8.75834 1.57322 -8.93576 -14.2441 TIMING: 3587000 CPU: 10794, 0.00298292/step Wall: 10794, 0.00298292/step, 1.17079 hours remaining, 208.890625 MB of memory in use. ENERGY: 3587000 754.3694 2056.2521 1952.8456 110.7859 -206582.0672 18041.1774 0.0000 0.0000 34222.2835 -149444.3534 298.8717 -183666.6368 -149347.2027 299.2314 168.0810 195.4275 556708.3396 -3.1236 -2.8558 PRESSURE: 3587200 68.0733 -9.25206 -54.5034 -9.2519 -54.3888 -94.3924 -54.5035 -94.393 -21.596 GPRESSURE: 3587200 36.6389 -20.3264 -76.999 -91.8714 -15.0095 -191.03 5.93276 37.4003 73.8979 PRESSAVG: 3587200 -2.3062 -4.48064 21.044 -4.48066 13.9735 -71.5483 21.044 -71.5482 36.5182 GPRESSAVG: 3587200 -1.23148 -4.90701 22.546 -5.69035 13.6595 -71.2371 19.1298 -71.6664 35.3716 TIMING: 3587200 CPU: 10794.6, 0.00298373/step Wall: 10794.6, 0.00298373/step, 1.17095 hours remaining, 208.890625 MB of memory in use. ENERGY: 3587200 733.9782 2089.6350 1940.1609 104.2065 -206249.1101 17819.1616 0.0000 0.0000 34086.5314 -149475.4365 297.6862 -183561.9679 -149374.3407 298.4073 -2.6372 31.8425 557607.5920 16.0618 15.9332 PRESSURE: 3587400 -283.194 -17.4419 28.4134 -17.4409 -204.433 27.3184 28.4133 27.3194 4.07176 GPRESSURE: 3587400 -285.708 -30.8276 87.8571 -48.2898 -126.147 -29.046 25.9703 16.2727 16.2496 PRESSAVG: 3587400 0.456943 -24.0166 13.9266 -24.0166 -31.6693 -9.38844 13.9266 -9.38854 61.05 GPRESSAVG: 3587400 -1.79785 -23.1404 13.5381 -24.6757 -29.814 -10.6119 15.7891 -9.98811 61.5523 TIMING: 3587400 CPU: 10795.2, 0.00297577/step Wall: 10795.2, 0.00297577/step, 1.16766 hours remaining, 208.890625 MB of memory in use. ENERGY: 3587400 754.9877 2147.5970 1940.5789 120.2386 -206410.5620 17671.3087 0.0000 0.0000 34310.9989 -149464.8522 299.6465 -183775.8510 -149361.3269 298.3115 -161.1850 -131.8685 557355.1272 9.9459 9.9801 PRESSURE: 3587600 -124.439 20.7089 -97.9908 20.7079 -315.456 -9.66794 -97.9913 -9.66833 105.011 GPRESSURE: 3587600 -99.3259 45.8967 -44.6249 38.4784 -245.53 16.4647 -165.032 -89.4241 109.299 PRESSAVG: 3587600 -48.2444 61.8062 -24.3497 61.8062 37.5388 8.74636 -24.3498 8.74636 39.6855 GPRESSAVG: 3587600 -47.1221 63.6578 -26.7231 63.1025 36.8382 8.84491 -22.3362 8.94877 38.7975 TIMING: 3587600 CPU: 10795.8, 0.00296555/step Wall: 10795.8, 0.00296555/step, 1.16348 hours remaining, 208.890625 MB of memory in use. ENERGY: 3587600 761.2526 2080.4734 1960.0765 101.9592 -206243.1154 17683.7168 0.0000 0.0000 34178.5354 -149477.1014 298.4897 -183655.6368 -149374.7854 299.1598 -111.6280 -78.5187 556965.3213 9.6599 9.5045 PRESSURE: 3587800 -241.741 -46.3137 -48.5242 -46.3125 64.4563 -22.5965 -48.524 -22.5969 157.115 GPRESSURE: 3587800 -217.67 -45.6843 -1.92177 -99.369 119.083 12.3617 -43.4323 -47.9439 171.86 PRESSAVG: 3587800 -32.0109 33.679 -48.7446 33.6791 17.7931 0.457405 -48.7446 0.457515 21.9414 GPRESSAVG: 3587800 -30.5513 31.0849 -47.8507 33.3834 16.8032 1.1596 -52.0648 2.69308 21.0436 TIMING: 3587800 CPU: 10796.4, 0.00296083/step Wall: 10796.4, 0.00296083/step, 1.16147 hours remaining, 208.890625 MB of memory in use. ENERGY: 3587800 745.1518 2086.2245 1928.3851 105.8721 -206667.0331 18042.8789 0.0000 0.0000 34397.4049 -149361.1158 300.4011 -183758.5207 -149262.5831 298.7848 -6.7232 24.4242 556560.7192 2.5746 2.4318 PRESSURE: 3588000 -67.2572 -24.2128 -133.736 -24.213 392.205 -48.9978 -133.736 -48.9995 193.934 GPRESSURE: 3588000 -35.2564 -33.3608 -175.144 7.84202 435.233 -99.6776 -135.928 -46.5986 218.409 PRESSAVG: 3588000 -6.22922 7.52493 -29.9366 7.52491 -1.65412 18.1422 -29.9365 18.1423 32.6835 GPRESSAVG: 3588000 -7.0642 8.21446 -28.3813 7.2908 -1.59617 17.4033 -28.5134 17.6321 33.6785 TIMING: 3588000 CPU: 10797, 0.00298713/step Wall: 10797, 0.00298713/step, 1.17162 hours remaining, 208.890625 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: 3588000 741.8926 2049.2407 1976.9716 118.5951 -206904.8449 18128.3350 0.0000 0.0000 34344.9612 -149544.8486 299.9431 -183889.8099 -149444.4398 299.4258 172.9606 206.1283 557250.5668 8.2667 8.3394 PRESSURE: 3588200 30.4454 25.3448 -36.5011 25.343 255.085 125.125 -36.5016 125.124 -132.106 GPRESSURE: 3588200 78.8934 38.6772 -88.5245 33.9167 248.274 116.358 -45.3458 78.8621 -71.2689 PRESSAVG: 3588200 -1.82841 -12.4333 -15.8075 -12.4332 3.24933 17.547 -15.8075 17.5469 -23.3406 GPRESSAVG: 3588200 -1.44634 -13.7872 -16.8276 -12.1854 2.61848 18.2234 -15.2766 16.0462 -23.1532 TIMING: 3588200 CPU: 10797.6, 0.00299538/step Wall: 10797.6, 0.00299538/step, 1.17469 hours remaining, 208.890625 MB of memory in use. ENERGY: 3588200 760.7846 2077.9382 1942.4132 105.0446 -206942.4702 18212.3861 0.0000 0.0000 34355.8593 -149488.0441 300.0383 -183843.9034 -149396.2781 298.6942 51.1415 85.2995 557686.2485 -7.3066 -7.3270 LDB: ============= START OF LOAD BALANCING ============== 10801.1 LDB: ============== END OF LOAD BALANCING =============== 10801.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10801.1 LDB: ============= START OF LOAD BALANCING ============== 10801.4 LDB: Largest compute 4802 load 0.028194 is 23.9% of average load 0.118170 LDB: Average compute 0.001724 is 1.5% of average load 0.118170 LDB: TIME 10801.4 LOAD: AVG 0.11817 MAX 0.209769 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.062 MB LDB: TIME 10801.4 LOAD: AVG 0.11817 MAX 0.209769 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.266 MB LDB: TIME 10801.4 LOAD: AVG 0.11817 MAX 0.209769 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.266 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10801.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10801.4 PRESSURE: 3588400 -165.237 129.508 30.6032 129.507 -298.147 -156.463 30.6036 -156.463 -147.179 GPRESSURE: 3588400 -123.06 69.3724 14.8317 106.975 -266.965 -102.96 -47.8096 -130.445 -108.613 PRESSAVG: 3588400 -24.3954 39.7016 26.0999 39.7017 -30.9708 -0.0539975 26.0999 -0.054103 35.4305 GPRESSAVG: 3588400 -25.4655 41.756 25.4921 39.6682 -29.5429 0.015443 24.8879 -1.50837 35.2315 TIMING: 3588400 CPU: 10798.2, 0.00303436/step Wall: 10798.2, 0.00303436/step, 1.18981 hours remaining, 210.027344 MB of memory in use. ENERGY: 3588400 790.2138 2063.3686 1963.8489 104.4931 -206250.6307 17729.7716 0.0000 0.0000 34095.0065 -149503.9282 297.7602 -183598.9347 -149404.3505 299.2108 -203.5206 -166.2128 557139.2084 -6.6452 -6.5923 PRESSURE: 3588600 14.1859 -128.73 15.6241 -128.731 65.7729 -158.357 15.6249 -158.356 154.274 GPRESSURE: 3588600 12.3907 -151.085 106.172 -134.446 117.372 -172.801 -19.5848 -161.721 194.443 PRESSAVG: 3588600 70.6165 13.4027 -57.7925 13.4027 25.5225 -13.8616 -57.7924 -13.8616 -52.6356 GPRESSAVG: 3588600 71.8778 9.15413 -57.0499 16.2784 24.5285 -14.3213 -58.4479 -11.5349 -53.0766 TIMING: 3588600 CPU: 10798.8, 0.00300591/step Wall: 10798.8, 0.00300591/step, 1.17848 hours remaining, 210.171875 MB of memory in use. ENERGY: 3588600 767.6428 2082.9826 1912.7182 102.7364 -206697.8153 17969.2793 0.0000 0.0000 34317.5533 -149544.9026 299.7037 -183862.4559 -149443.5003 298.4235 78.0777 108.0687 557723.9036 14.5011 14.4432 PRESSURE: 3588800 122.545 -124.82 -13.2574 -124.82 157.951 -161.47 -13.2571 -161.47 69.3515 GPRESSURE: 3588800 179.628 -32.817 -12.08 -137.087 139.329 -192.427 -165.564 -187.046 121.073 PRESSAVG: 3588800 45.8179 5.4543 -18.448 5.45423 45.7311 -57.4642 -18.4479 -57.4643 -82.6792 GPRESSAVG: 3588800 45.3638 7.12958 -18.9064 3.89655 46.1282 -57.4035 -18.8708 -58.5047 -83.206 TIMING: 3588800 CPU: 10799.4, 0.00301131/step Wall: 10799.4, 0.00301131/step, 1.18043 hours remaining, 210.171875 MB of memory in use. ENERGY: 3588800 755.0448 2057.0555 1967.0716 108.8810 -206813.2167 18136.9121 0.0000 0.0000 34186.0994 -149602.1523 298.5557 -183788.2517 -149502.7962 298.5728 116.6157 146.6768 556795.5774 2.9566 2.7620 PRESSURE: 3589000 147.09 -168.618 158.479 -168.619 93.6934 64.8883 158.478 64.8891 270.126 GPRESSURE: 3589000 180.965 -60.5769 84.1401 -216.347 158.108 52.5599 179.094 103.203 264.96 PRESSAVG: 3589000 -12.2837 2.89647 6.62149 2.89652 58.8661 -31.2011 6.62159 -31.2013 -23.1347 GPRESSAVG: 3589000 -12.6158 4.68918 5.47836 2.44795 58.4536 -30.7268 9.03025 -31.4736 -21.9873 TIMING: 3589000 CPU: 10800, 0.00299686/step Wall: 10800, 0.00299686/step, 1.1746 hours remaining, 210.171875 MB of memory in use. ENERGY: 3589000 706.5216 2105.0654 1958.2213 118.8027 -206532.9508 18150.9405 0.0000 0.0000 33976.2980 -149517.1012 296.7235 -183493.3992 -149426.1186 297.4921 170.3034 201.3444 558476.3473 7.8159 7.9502 PRESSURE: 3589200 69.3904 48.6941 -58.0581 48.6934 -126.414 10.4741 -58.0567 10.474 -109.22 GPRESSURE: 3589200 79.2447 3.5567 -136.395 52.7374 -112.41 -91.404 58.5246 -36.5076 -29.1527 PRESSAVG: 3589200 25.5537 -41.1999 -4.8986 -41.2 40.7623 -73.2615 -4.89867 -73.2613 -20.8754 GPRESSAVG: 3589200 25.3697 -43.6958 -2.59559 -41.0469 40.8705 -74.2501 -6.22451 -72.6092 -20.7523 TIMING: 3589200 CPU: 10800.6, 0.00299999/step Wall: 10800.6, 0.00299999/step, 1.17566 hours remaining, 210.171875 MB of memory in use. ENERGY: 3589200 771.7804 2041.4019 1927.6296 115.6743 -206358.8288 17806.3768 0.0000 0.0000 34106.2156 -149589.7503 297.8581 -183695.9659 -149487.8829 298.4304 -55.4146 -20.7726 558775.6381 15.1469 15.1626 PRESSURE: 3589400 -21.0812 -77.1116 86.8206 -77.1121 -43.4111 -177.413 86.8202 -177.413 -180.531 GPRESSURE: 3589400 -29.9454 -90.4145 71.0221 -56.2578 -1.93773 -193.553 74.8139 -161.646 -108.067 PRESSAVG: 3589400 35.0931 34.3349 -27.4335 34.3348 27.0614 -68.7391 -27.4335 -68.739 -70.0915 GPRESSAVG: 3589400 34.7131 36.3248 -29.7846 32.6275 27.5966 -66.831 -27.3495 -69.1685 -70.052 TIMING: 3589400 CPU: 10801.2, 0.00298709/step Wall: 10801.2, 0.00298709/step, 1.17044 hours remaining, 210.171875 MB of memory in use. ENERGY: 3589400 780.1098 2078.5547 1961.1509 120.8312 -206777.8992 17938.9637 0.0000 0.0000 34067.4821 -149830.8067 297.5198 -183898.2888 -149738.1182 298.0274 -81.6746 -46.6500 559667.1157 -2.6456 -2.5808 PRESSURE: 3589600 -17.9486 -153.97 18.4205 -153.97 -118.863 -166.735 18.4206 -166.736 -86.787 GPRESSURE: 3589600 0.545708 -132.535 44.7774 -158.979 -78.5266 -183.844 -51.3166 -167.478 -43.5555 PRESSAVG: 3589600 80.3841 -20.5735 -29.5135 -20.5735 -3.9084 -36.5718 -29.5135 -36.5717 -45.3336 GPRESSAVG: 3589600 79.2944 -20.593 -30.2911 -18.6762 -4.51123 -37.1752 -28.6631 -36.0892 -43.8229 TIMING: 3589600 CPU: 10801.8, 0.0029817/step Wall: 10801.8, 0.0029817/step, 1.16816 hours remaining, 210.171875 MB of memory in use. ENERGY: 3589600 760.0598 2097.4518 1935.4496 123.4763 -206796.5441 17961.1391 0.0000 0.0000 34206.2906 -149712.6768 298.7320 -183918.9675 -149614.7152 298.1894 -74.5329 -40.5121 557209.1696 10.3807 10.3201 PRESSURE: 3589800 -173.992 71.9468 49.1273 71.9455 47.9121 -52.8745 49.1284 -52.8742 -124.72 GPRESSURE: 3589800 -78.2066 104.543 62.6366 54.3744 31.9113 -133.876 37.9115 4.4779 -97.5528 PRESSAVG: 3589800 -18.6084 7.47385 -61.1584 7.47382 59.7411 -69.3166 -61.1584 -69.3165 -44.6546 GPRESSAVG: 3589800 -16.9716 9.63607 -59.9654 4.06049 60.0505 -67.8847 -62.1438 -69.4896 -46.3041 TIMING: 3589800 CPU: 10802.4, 0.00295775/step Wall: 10802.4, 0.00295775/step, 1.15862 hours remaining, 210.171875 MB of memory in use. ENERGY: 3589800 786.5476 2050.5242 1928.5955 117.2458 -207191.1242 18145.3197 0.0000 0.0000 34201.0562 -149961.8352 298.6863 -184162.8914 -149860.6725 297.9075 -83.5998 -47.9494 556918.2460 -1.1740 -1.0751 PRESSURE: 3590000 11.1227 150.595 10.1636 150.595 -9.73047 66.122 10.164 66.1229 -213.281 GPRESSURE: 3590000 67.2022 172.962 7.48566 40.2461 10.5792 78.5632 -26.4625 15.4083 -190.505 PRESSAVG: 3590000 -40.2775 54.2317 5.26885 54.2318 85.9165 10.8174 5.26879 10.8174 -49.0447 GPRESSAVG: 3590000 -40.5934 51.1612 6.42409 56.0804 85.7859 10.0232 4.20571 9.70017 -49.4935 TIMING: 3590000 CPU: 10803, 0.00297361/step Wall: 10803, 0.00297361/step, 1.16466 hours remaining, 210.171875 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: 3590000 731.5242 2140.6017 1919.8059 103.3553 -206644.1524 17647.2164 0.0000 0.0000 34169.4582 -149932.1906 298.4104 -184101.6488 -149848.3697 297.3784 -70.6295 -37.5747 555486.5975 -1.1352 -1.4337 PRESSURE: 3590200 -31.5713 104.795 -143.855 104.794 184.774 48.1349 -143.855 48.135 30.8464 GPRESSURE: 3590200 39.0022 43.7388 -198.013 -37.8314 176.499 77.9972 -113.601 11.8798 74.155 PRESSAVG: 3590200 -10.3384 71.5105 -26.2231 71.5105 0.885159 33.46 -26.223 33.46 -34.5966 GPRESSAVG: 3590200 -9.29103 70.7046 -27.0738 71.6682 0.422651 33.1567 -26.9285 33.221 -34.6206 TIMING: 3590200 CPU: 10803.6, 0.00297876/step Wall: 10803.6, 0.00297876/step, 1.16651 hours remaining, 210.171875 MB of memory in use. ENERGY: 3590200 736.5309 2098.1111 1951.5025 108.0872 -206684.7259 18038.7855 0.0000 0.0000 34021.6343 -149730.0745 297.1194 -183751.7087 -149633.0886 297.2809 61.3497 96.5520 556291.1408 -14.6833 -14.4963 PRESSURE: 3590400 130.635 -70.3908 114.791 -70.3909 -182.313 -59.12 114.789 -59.1201 -22.2935 GPRESSURE: 3590400 225.307 -29.4036 125.885 -75.1168 -164.098 3.16218 55.4929 -93.81 -35.1693 PRESSAVG: 3590400 -47.6552 30.7087 16.998 30.7087 51.7412 -24.1206 16.998 -24.1205 -31.1335 GPRESSAVG: 3590400 -48.0781 33.2296 16.7957 29.5147 52.6484 -23.2397 17.7167 -23.9871 -31.722 TIMING: 3590400 CPU: 10804.2, 0.00298241/step Wall: 10804.2, 0.00298241/step, 1.16778 hours remaining, 210.171875 MB of memory in use. ENERGY: 3590400 749.0552 2081.2139 1962.2434 110.2191 -206452.7615 17811.7495 0.0000 0.0000 34028.8816 -149709.3989 297.1827 -183738.2805 -149612.2584 298.0496 -24.6573 8.6799 556661.7888 -9.0158 -9.0506 PRESSURE: 3590600 -28.6397 176.732 -48.4739 176.732 -244.339 -196.547 -48.473 -196.548 -429.48 GPRESSURE: 3590600 -49.6223 166.578 -28.9841 217.701 -105.203 -209.484 -31.3036 -148.948 -445.799 PRESSAVG: 3590600 62.4518 -18.0337 10.9094 -18.0337 -21.1144 8.91101 10.9093 8.91094 -32.1343 GPRESSAVG: 3590600 61.5546 -17.8359 11.2535 -15.6101 -20.6549 9.12512 10.6827 10.0378 -31.8985 TIMING: 3590600 CPU: 10804.7, 0.0029784/step Wall: 10804.7, 0.0029784/step, 1.16604 hours remaining, 210.171875 MB of memory in use. ENERGY: 3590600 724.6218 2089.1113 1938.1067 110.7753 -205934.1775 17344.2559 0.0000 0.0000 33975.4825 -149751.8241 296.7163 -183727.3066 -149660.3197 298.1316 -234.1527 -200.2081 557903.7747 3.0677 3.0004 PRESSURE: 3590800 -218.213 76.6849 24.6248 76.6865 -50.4892 155.823 24.6255 155.822 -59.7839 GPRESSURE: 3590800 -210.097 79.9034 4.34783 68.033 -45.7759 124.36 54.3968 61.6036 21.9439 PRESSAVG: 3590800 71.4465 20.3643 53.7613 20.3644 -111.262 2.52519 53.7612 2.52527 20.2466 GPRESSAVG: 3590800 72.1377 17.7522 52.3538 21.4556 -112.583 0.367722 56.6644 2.48401 20.5631 TIMING: 3590800 CPU: 10805.4, 0.00300485/step Wall: 10805.4, 0.00300485/step, 1.17623 hours remaining, 210.171875 MB of memory in use. ENERGY: 3590800 745.9056 2047.3966 1942.0097 113.4506 -206741.3802 17690.5630 0.0000 0.0000 34545.4822 -149656.5725 301.6943 -184202.0548 -149551.8398 298.2289 -109.4953 -77.9762 554817.7826 -6.5229 -6.6276 PRESSURE: 3591000 71.0839 -72.2046 -12.9373 -72.2046 72.6143 -71.7223 -12.938 -71.7227 -82.2303 GPRESSURE: 3591000 69.137 -95.5441 9.59095 -35.2384 118.097 -59.4752 18.673 -69.9066 -31.6871 PRESSAVG: 3591000 9.42253 -4.61048 21.0754 -4.6105 13.5248 -3.26194 21.0754 -3.26193 -16.4651 GPRESSAVG: 3591000 9.97091 -3.25981 21.6588 -6.35918 12.8851 -2.56962 17.8329 -2.29982 -16.0683 TIMING: 3591000 CPU: 10806, 0.00300903/step Wall: 10806, 0.00300903/step, 1.1777 hours remaining, 210.375000 MB of memory in use. ENERGY: 3591000 728.0048 2016.6504 1942.7347 106.5956 -206497.5228 17882.1532 0.0000 0.0000 34168.4490 -149652.9351 298.4016 -183821.3841 -149559.1902 298.5158 20.4893 51.8489 557650.6338 2.1607 2.2626 PRESSURE: 3591200 -135.407 10.7483 -19.7923 10.7473 -52.9454 87.8798 -19.7919 87.8809 8.23658 GPRESSURE: 3591200 -96.0336 -18.5534 11.0205 -22.1286 -79.2098 74.8543 29.1719 100.536 91.567 PRESSAVG: 3591200 -13.0628 28.1672 35.0757 28.1671 34.8119 7.48077 35.0757 7.48055 -46.4303 GPRESSAVG: 3591200 -13.144 27.6295 36.6193 27.9717 35.6521 7.79517 36.0446 6.05239 -47.3884 TIMING: 3591200 CPU: 10806.6, 0.00301851/step Wall: 10806.6, 0.00301851/step, 1.18125 hours remaining, 210.375000 MB of memory in use. ENERGY: 3591200 740.7194 2106.5510 1950.9056 116.8742 -206319.0788 17859.9041 0.0000 0.0000 33908.1637 -149635.9608 296.1284 -183544.1245 -149545.8951 298.6998 -60.0385 -27.8921 558168.7353 -8.2271 -8.2934 PRESSURE: 3591400 232.95 -145.309 93.7482 -145.308 -33.373 -113.011 93.7487 -113.011 -65.7887 GPRESSURE: 3591400 236.085 -68.0257 60.3269 -177.912 -52.4831 -106.55 120.828 -107.87 41.2724 PRESSAVG: 3591400 5.00137 12.9106 3.27398 12.9106 -0.708889 -9.93057 3.27387 -9.93066 34.9044 GPRESSAVG: 3591400 4.67182 14.7044 2.26237 11.363 -1.39109 -10.7164 4.1159 -10.2689 35.3791 TIMING: 3591400 CPU: 10807.2, 0.00302356/step Wall: 10807.2, 0.00302356/step, 1.18305 hours remaining, 210.375000 MB of memory in use. ENERGY: 3591400 735.9607 2064.1268 1939.0884 111.4032 -206474.3682 17863.3542 0.0000 0.0000 34202.3377 -149558.0972 298.6975 -183760.4349 -149467.5115 298.0821 44.5960 74.9579 557152.2207 13.0656 12.8866 PRESSURE: 3591600 -120.9 51.2264 -72.1671 51.2265 46.3486 -0.880157 -72.1674 -0.87909 -233.879 GPRESSURE: 3591600 -66.705 41.9687 -91.6252 -3.41808 0.703711 24.8328 -131.047 -28.5497 -142.521 PRESSAVG: 3591600 0.678288 -51.0687 30.8749 -51.0687 -24.2639 -5.61609 30.8748 -5.61594 -5.04843 GPRESSAVG: 3591600 -0.128331 -53.2548 32.2583 -50.5302 -23.9192 -4.55999 30.5993 -4.78839 -4.58919 TIMING: 3591600 CPU: 10807.8, 0.00301084/step Wall: 10807.8, 0.00301084/step, 1.17791 hours remaining, 210.375000 MB of memory in use. ENERGY: 3591600 750.6954 2082.9400 1911.7307 115.2537 -206207.9650 17674.1546 0.0000 0.0000 34235.4230 -149437.7677 298.9865 -183673.1907 -149345.9544 299.0205 -102.8102 -69.5075 558497.1554 -9.5447 -9.5456 PRESSURE: 3591800 -185.156 120.32 7.67985 120.319 27.888 -44.3084 7.67976 -44.3068 105.282 GPRESSURE: 3591800 -134.443 100.911 -24.9464 121.549 89.2884 -28.4478 -1.87125 -32.1997 88.8171 PRESSAVG: 3591800 7.06919 54.9899 -15.2989 54.9899 -5.7103 -25.3902 -15.2988 -25.3903 -24.9159 GPRESSAVG: 3591800 8.04466 56.4284 -17.0859 55.9318 -5.44059 -26.1026 -15.726 -24.5326 -25.6359 TIMING: 3591800 CPU: 10808.4, 0.00300197/step Wall: 10808.4, 0.00300197/step, 1.17427 hours remaining, 210.375000 MB of memory in use. ENERGY: 3591800 737.5627 2030.3787 1951.2235 111.5215 -206061.5245 17646.5668 0.0000 0.0000 34104.3623 -149479.9090 297.8419 -183584.2713 -149379.2165 298.3088 -17.3288 14.5540 558437.9831 -7.8523 -7.6773 PRESSURE: 3592000 -8.57132 -68.9336 -5.53938 -68.9335 182.91 120.319 -5.53852 120.32 88.6187 GPRESSURE: 3592000 52.1333 -29.0998 69.9956 -56.713 220.699 133.654 13.2788 43.3712 100.108 PRESSAVG: 3592000 -28.4183 4.95168 -52.9316 4.95165 14.8333 -26.2942 -52.9316 -26.2943 9.69527 GPRESSAVG: 3592000 -28.8675 3.90119 -49.3366 4.39172 14.2976 -25.8675 -52.2256 -25.9594 10.4311 TIMING: 3592000 CPU: 10809, 0.00300098/step Wall: 10809, 0.00300098/step, 1.17372 hours remaining, 210.375000 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: 3592000 807.9542 2051.6764 1914.0080 107.0375 -206742.5572 18185.2418 0.0000 0.0000 34178.4908 -149498.1486 298.4893 -183676.6394 -149402.6727 298.6711 87.6526 124.3134 557757.5018 -1.2966 -1.3796 PRESSURE: 3592200 -79.8222 214.802 -257.918 214.804 106.921 -174.889 -257.918 -174.89 -222.205 GPRESSURE: 3592200 -99.2439 190.598 -240.352 181.503 188.544 -213.772 -196.491 -172.491 -180.895 PRESSAVG: 3592200 -67.5238 4.19046 -8.44177 4.19039 43.9656 -19.4695 -8.44184 -19.4695 -1.7026 GPRESSAVG: 3592200 -67.4389 5.36928 -8.8343 1.90131 44.0612 -19.4104 -8.96196 -19.6586 -2.46304 TIMING: 3592200 CPU: 10809.6, 0.00298072/step Wall: 10809.6, 0.00298072/step, 1.16563 hours remaining, 210.375000 MB of memory in use. ENERGY: 3592200 704.0005 2134.6354 1948.3261 122.1457 -206354.5358 17703.5419 0.0000 0.0000 34319.5077 -149422.3786 299.7208 -183741.8864 -149327.7913 298.7085 -65.0354 -30.5315 557895.5388 -8.4203 -8.6136 LDB: ============= START OF LOAD BALANCING ============== 10813.1 LDB: ============== END OF LOAD BALANCING =============== 10813.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10813.1 LDB: ============= START OF LOAD BALANCING ============== 10813.4 LDB: Largest compute 4802 load 0.026078 is 22.1% of average load 0.118162 LDB: Average compute 0.001711 is 1.4% of average load 0.118162 LDB: TIME 10813.4 LOAD: AVG 0.118162 MAX 0.208804 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.996 MB LDB: TIME 10813.4 LOAD: AVG 0.118162 MAX 0.208804 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.996 MB LDB: TIME 10813.4 LOAD: AVG 0.118162 MAX 0.208804 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.996 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10813.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10813.4 PRESSURE: 3592400 -163.633 -156.304 83.9167 -156.305 30.7083 272.654 83.9164 272.654 -82.6409 GPRESSURE: 3592400 -150.148 -109.558 104.825 -107.274 84.0169 312.712 5.44608 213.819 -55.548 PRESSAVG: 3592400 80.6212 22.447 -18.003 22.447 3.56762 18.2369 -18.0029 18.2369 -48.2715 GPRESSAVG: 3592400 79.812 22.4396 -20.0918 24.848 3.48191 19.3625 -18.0057 15.299 -47.5536 TIMING: 3592400 CPU: 10810.2, 0.00302758/step Wall: 10810.2, 0.00302758/step, 1.18378 hours remaining, 208.941406 MB of memory in use. ENERGY: 3592400 763.0829 2088.7567 1962.7423 128.1683 -206619.0650 17924.5335 0.0000 0.0000 34339.0834 -149412.6979 299.8918 -183751.7813 -149316.7508 299.4265 -71.8553 -40.5596 557336.6675 11.9724 11.9134 PRESSURE: 3592600 172.112 23.1881 165.416 23.1881 3.53172 -214.311 165.417 -214.312 -125.999 GPRESSURE: 3592600 188.153 -133.678 53.0388 62.1307 50.4679 -198.481 229.576 -236.677 -80.3905 PRESSAVG: 3592600 17.0346 -10.7116 -47.4424 -10.7114 14.1729 27.4038 -47.4423 27.4039 -15.619 GPRESSAVG: 3592600 17.7231 -10.1307 -47.0035 -10.2023 13.6073 26.7071 -46.21 28.3555 -15.6883 TIMING: 3592600 CPU: 10810.8, 0.00297518/step Wall: 10810.8, 0.00297518/step, 1.16313 hours remaining, 209.144531 MB of memory in use. ENERGY: 3592600 711.3886 2144.0403 1983.6088 115.9461 -206228.7256 17878.9926 0.0000 0.0000 33995.4380 -149399.3112 296.8906 -183394.7492 -149300.8614 299.3343 16.5482 52.7435 557112.0603 5.1962 5.2140 PRESSURE: 3592800 100.279 100.802 34.1656 100.801 62.4252 91.2448 34.1648 91.2469 108.006 GPRESSURE: 3592800 159.26 79.6517 53.9978 35.9783 83.457 124.511 49.8845 122.8 123.901 PRESSAVG: 3592800 -11.394 -22.6242 44.7605 -22.6242 -8.94207 -15.1041 44.7605 -15.104 6.94468 GPRESSAVG: 3592800 -11.7761 -22.284 45.9253 -24.8527 -8.53458 -15.683 43.6449 -15.1975 6.75126 TIMING: 3592800 CPU: 10811.4, 0.00297242/step Wall: 10811.4, 0.00297242/step, 1.16189 hours remaining, 209.144531 MB of memory in use. ENERGY: 3592800 729.7477 2050.7591 1940.6364 109.6786 -206172.8321 17862.0873 0.0000 0.0000 34191.1675 -149288.7555 298.6000 -183479.9230 -149190.0649 298.6752 90.2369 122.2058 557029.7772 -4.4638 -4.5198 PRESSURE: 3593000 -55.6361 93.7851 199.001 93.7848 -286.167 79.2048 199 79.2057 -115.505 GPRESSURE: 3593000 -57.9447 160.616 139.124 70.7867 -195.403 69.1784 238.814 33.8954 -97.7112 PRESSAVG: 3593000 -32.1739 46.1461 60.2042 46.1462 14.0927 -5.82534 60.2042 -5.82522 -15.5116 GPRESSAVG: 3593000 -31.4758 44.9663 61.8481 45.1054 13.6951 -7.00554 58.3624 -3.18222 -16.0872 TIMING: 3593000 CPU: 10811.9, 0.00296968/step Wall: 10811.9, 0.00296968/step, 1.16065 hours remaining, 209.144531 MB of memory in use. ENERGY: 3593000 744.8807 2110.8677 1971.3453 111.5609 -206071.8007 17535.7127 0.0000 0.0000 34338.2351 -149259.1983 299.8843 -183597.4334 -149170.5992 299.6370 -152.4362 -117.0196 556872.3957 -11.1976 -11.2893 PRESSURE: 3593200 -154.719 46.078 -138.08 46.0775 -256.326 -35.782 -138.081 -35.7824 -167.573 GPRESSURE: 3593200 -153.951 70.6297 -50.4127 13.292 -174.616 -26.6145 -172.25 49.5651 -149.319 PRESSAVG: 3593200 -0.0835598 19.4726 -21.285 19.4726 -8.60662 -2.63557 -21.285 -2.63558 -23.166 GPRESSAVG: 3593200 0.149949 18.9919 -22.1305 22.1897 -8.46317 -0.47478 -20.2649 -5.49668 -23.2242 TIMING: 3593200 CPU: 10812.5, 0.00297641/step Wall: 10812.5, 0.00297641/step, 1.16312 hours remaining, 209.269531 MB of memory in use. ENERGY: 3593200 729.9600 2045.3751 1986.5660 121.5132 -206067.9047 17668.1527 0.0000 0.0000 34307.6082 -149208.7295 299.6169 -183516.3377 -149113.6042 299.3214 -192.8729 -159.2957 559075.6430 -10.6187 -10.5125 PRESSURE: 3593400 -108.871 132.266 -219.278 132.267 -115.905 -76.5791 -219.278 -76.5786 -80.5186 GPRESSURE: 3593400 -86.0654 37.6306 -255.201 179.972 -106.679 -57.5877 -148.946 -11.0391 -10.755 PRESSAVG: 3593400 -47.0831 -3.93912 4.78109 -3.93913 -18.0255 29.7895 4.78106 29.7896 71.3657 GPRESSAVG: 3593400 -47.8468 -3.78729 3.85544 -6.36053 -17.7666 29.866 3.77435 30.8514 72.0797 TIMING: 3593400 CPU: 10813.1, 0.00295279/step Wall: 10813.1, 0.00295279/step, 1.15372 hours remaining, 209.269531 MB of memory in use. ENERGY: 3593400 749.1296 2096.2358 1902.7001 106.4483 -205991.5749 17662.9881 0.0000 0.0000 34094.4642 -149379.6088 297.7554 -183474.0730 -149283.6470 298.8902 -101.7647 -67.8333 559413.7388 2.0857 2.1554 PRESSURE: 3593600 -130.149 -34.6516 -75.9768 -34.6521 160.313 46.2906 -75.9775 46.2894 162.178 GPRESSURE: 3593600 -107.881 14.4223 -22.3515 -57.0567 178.131 49.1941 -28.9391 -26.8272 212.135 PRESSAVG: 3593600 -6.26682 4.80575 -10.5352 4.80574 -41.8144 -5.55508 -10.5351 -5.5551 26.8361 GPRESSAVG: 3593600 -5.1132 6.27108 -10.7322 6.54951 -41.9502 -3.89089 -10.8391 -5.74886 26.121 TIMING: 3593600 CPU: 10813.7, 0.00298272/step Wall: 10813.7, 0.00298272/step, 1.16525 hours remaining, 209.269531 MB of memory in use. ENERGY: 3593600 742.7919 2064.2191 1959.9698 115.5921 -206539.8324 18067.7714 0.0000 0.0000 34282.9001 -149306.5880 299.4011 -183589.4881 -149218.4519 298.7914 64.1137 94.1283 558779.3975 -7.0817 -6.9808 PRESSURE: 3593800 -89.1303 -14.1091 40.191 -14.109 -56.9188 -58.1649 40.1916 -58.1643 -45.5678 GPRESSURE: 3593800 -70.4282 -75.3923 149.033 -11.7732 -72.9582 -34.149 6.14157 -9.06614 27.7127 PRESSAVG: 3593800 -22.9822 -20.1408 -3.19477 -20.1407 -6.58057 8.80095 -3.19482 8.80108 36.7898 GPRESSAVG: 3593800 -23.4035 -21.8137 -3.13648 -20.0474 -6.19872 6.27669 -2.17097 9.94429 36.5457 TIMING: 3593800 CPU: 10814.3, 0.0029673/step Wall: 10814.3, 0.0029673/step, 1.15906 hours remaining, 209.269531 MB of memory in use. ENERGY: 3593800 774.1332 2075.0769 1948.6709 104.5438 -206509.7850 17803.5313 0.0000 0.0000 34483.2046 -149320.6243 301.1504 -183803.8289 -149223.7716 299.3072 -63.8723 -38.5579 557885.7696 2.4090 2.3145 PRESSURE: 3594000 139.426 -65.2698 32.4329 -65.2693 -133.681 16.6676 32.4328 16.6688 129.829 GPRESSURE: 3594000 168.472 -17.5535 73.3982 -72.1655 -84.8557 -20.608 -5.98127 27.9597 151.273 PRESSAVG: 3594000 -14.3467 -51.0915 -5.66561 -51.0914 -14.1193 6.19796 -5.66569 6.19794 38.3117 GPRESSAVG: 3594000 -13.6328 -50.2822 -6.49389 -50.4973 -14.6197 7.83337 -6.60871 5.84862 38.5968 TIMING: 3594000 CPU: 10814.9, 0.00298898/step Wall: 10814.9, 0.00298898/step, 1.16736 hours remaining, 209.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3594000 757.1443 2047.6183 1947.2733 109.1611 -206501.2433 17962.8423 0.0000 0.0000 34485.6859 -149191.5182 301.1721 -183677.2040 -149088.1821 299.5772 45.1913 78.2965 557760.2883 3.2819 3.4481 PRESSURE: 3594200 -35.7224 185.595 -5.98918 185.596 -149.339 45.3162 -5.98919 45.3146 183.783 GPRESSURE: 3594200 21.2543 195.488 30.3797 141.377 -132.984 84.0958 -11.6169 127.997 217.644 PRESSAVG: 3594200 114.227 56.2934 -25.8678 56.2934 -82.878 45.5749 -25.8677 45.5748 20.2663 GPRESSAVG: 3594200 114.282 55.7551 -25.1556 55.3695 -81.2939 45.0269 -25.5285 44.771 18.2517 TIMING: 3594200 CPU: 10815.5, 0.00297881/step Wall: 10815.5, 0.00297881/step, 1.16323 hours remaining, 209.269531 MB of memory in use. ENERGY: 3594200 735.8751 2100.0010 1933.1453 100.3351 -206540.4431 17872.5341 0.0000 0.0000 34426.1556 -149372.3970 300.6522 -183798.5526 -149269.7987 300.2955 -0.4261 35.3046 558051.5886 17.2051 17.0798 PRESSURE: 3594400 -45.0416 3.78337 144.077 3.78268 -178.234 178.93 144.077 178.929 -266.542 GPRESSURE: 3594400 -121.886 5.53488 51.1996 21.7495 -117.501 260.764 172.862 185.187 -164.986 PRESSAVG: 3594400 -24.4824 -38.7329 34.0077 -38.7329 -31.4296 -4.1121 34.0076 -4.11196 5.22399 GPRESSAVG: 3594400 -24.2385 -39.3152 33.2253 -39.6353 -32.8166 -6.26819 34.5832 -1.76182 7.15953 TIMING: 3594400 CPU: 10816.1, 0.00298805/step Wall: 10816.1, 0.00298805/step, 1.16667 hours remaining, 209.269531 MB of memory in use. ENERGY: 3594400 744.7236 2040.4932 1967.3430 122.6002 -206125.6302 17606.2554 0.0000 0.0000 34200.4721 -149443.7428 298.6812 -183644.2149 -149344.9881 299.0408 -163.2728 -134.7909 557127.7978 -16.8960 -16.6319 PRESSURE: 3594600 -15.4988 -183.635 -19.6399 -183.635 -136.65 -63.629 -19.6395 -63.6291 29.1177 GPRESSURE: 3594600 -9.79635 -126.247 18.8225 -135.609 -93.5567 -64.6315 -36.6255 -99.131 86.8102 PRESSAVG: 3594600 41.4268 -43.1206 -2.61835 -43.1207 -52.6618 7.96835 -2.61836 7.9685 2.1111 GPRESSAVG: 3594600 41.8811 -40.8865 -2.27197 -43.239 -53.2176 10.8492 -2.27742 6.21925 2.46153 TIMING: 3594600 CPU: 10816.7, 0.00295271/step Wall: 10816.7, 0.00295271/step, 1.15271 hours remaining, 209.269531 MB of memory in use. ENERGY: 3594600 746.9544 2126.7403 1960.5527 117.2237 -205922.3520 17665.9175 0.0000 0.0000 34152.8666 -149152.0968 298.2655 -183304.9634 -149057.8409 299.4626 -41.0102 -5.5143 558118.4510 -3.0413 -2.9584 PRESSURE: 3594800 -321.337 -23.1144 -105.149 -23.1152 -264.164 35.7309 -105.15 35.7324 -45.3901 GPRESSURE: 3594800 -304.684 42.8459 -117.458 -109.407 -178.798 56.5253 -190.482 65.0227 -59.3806 PRESSAVG: 3594800 -23.723 -40.2699 -27.7263 -40.2699 18.2491 43.7964 -27.7263 43.7964 15.89 GPRESSAVG: 3594800 -24.5621 -41.0614 -29.1535 -39.4295 18.4977 42.4543 -27.9152 43.8919 15.9948 TIMING: 3594800 CPU: 10817.3, 0.00300871/step Wall: 10817.3, 0.00300871/step, 1.1744 hours remaining, 209.269531 MB of memory in use. ENERGY: 3594800 768.8775 2111.0290 1941.7110 120.7219 -206318.5990 17788.8985 0.0000 0.0000 34291.7811 -149295.5800 299.4787 -183587.3611 -149202.9367 299.1717 -210.2972 -180.9544 557743.0708 3.4721 3.3101 PRESSURE: 3595000 -94.4106 -10.8339 37.5593 -10.8329 -102.78 201.389 37.5611 201.391 168.833 GPRESSURE: 3595000 -52.7871 -127.038 74.3404 -76.4708 -50.2537 133.183 57.2498 209.63 178.309 PRESSAVG: 3595000 34.7458 -17.0729 -4.61532 -17.073 -4.85904 8.97298 -4.61529 8.97308 8.78011 GPRESSAVG: 3595000 34.0493 -18.4462 -2.37481 -17.9598 -4.35091 7.85911 -5.68213 10.5302 8.8832 TIMING: 3595000 CPU: 10817.9, 0.0030035/step Wall: 10817.9, 0.0030035/step, 1.1722 hours remaining, 209.269531 MB of memory in use. ENERGY: 3595000 737.3531 2135.3251 1961.1967 120.5141 -206606.9141 17989.7269 0.0000 0.0000 34297.5983 -149365.1999 299.5295 -183662.7982 -149266.5707 299.5942 -9.4523 25.0893 556004.7202 12.8890 12.8605 PRESSURE: 3595200 24.3147 62.5226 149.595 62.5234 -161.094 36.9802 149.595 36.9808 118.098 GPRESSURE: 3595200 55.156 52.1416 122.036 31.3374 -147.051 63.2776 76.1376 16.9029 168.991 PRESSAVG: 3595200 25.8524 0.658645 22.3181 0.658691 -54.0295 16.2343 22.3181 16.2343 48.0626 GPRESSAVG: 3595200 26.7223 -0.122232 21.559 1.63345 -54.8077 18.1073 24.271 14.1242 47.7574 TIMING: 3595200 CPU: 10818.5, 0.00299104/step Wall: 10818.5, 0.00299104/step, 1.16717 hours remaining, 209.269531 MB of memory in use. ENERGY: 3595200 756.6851 2085.7280 1943.3227 105.6963 -206146.2050 17761.8984 0.0000 0.0000 34280.4470 -149212.4276 299.3797 -183492.8745 -149125.0437 299.7327 -6.2272 25.6986 557125.9334 6.6285 6.5573 PRESSURE: 3595400 58.0803 52.5779 190.644 52.5783 122.505 -19.6428 190.644 -19.6444 -232.716 GPRESSURE: 3595400 96.5946 -70.867 154.186 74.4337 159.889 -51.612 204.583 55.012 -208.179 PRESSAVG: 3595400 88.0886 31.8207 95.8695 31.8206 -92.8648 -5.80281 95.8695 -5.80291 -39.015 GPRESSAVG: 3595400 88.0234 32.5972 95.0022 33.6734 -92.7019 -5.27555 95.7946 -7.0268 -39.3913 TIMING: 3595400 CPU: 10819.1, 0.00300542/step Wall: 10819.1, 0.00300542/step, 1.17261 hours remaining, 209.269531 MB of memory in use. ENERGY: 3595400 726.9661 2053.0856 1958.8499 113.9286 -206180.3746 17704.6910 0.0000 0.0000 34329.5869 -149293.2665 299.8088 -183622.8534 -149198.4932 299.4698 -17.3771 16.1015 556832.6843 -14.5971 -14.6899 PRESSURE: 3595600 -157.193 139.499 81.6492 139.499 -87.1501 -23.4028 81.6498 -23.402 -58.5414 GPRESSURE: 3595600 -158.713 114.69 54.916 151.178 -70.0274 31.4559 95.8286 -3.71673 36.5817 PRESSAVG: 3595600 -5.08062 22.8297 19.4213 22.8298 16.6899 36.7515 19.4213 36.7515 15.5176 GPRESSAVG: 3595600 -5.43021 20.832 19.5363 20.8168 16.8127 34.5343 19.6209 36.4714 16.4059 TIMING: 3595600 CPU: 10819.7, 0.00298552/step Wall: 10819.7, 0.00298552/step, 1.16469 hours remaining, 209.269531 MB of memory in use. ENERGY: 3595600 759.1469 2027.7750 1980.6002 109.3143 -206078.1807 17698.9586 0.0000 0.0000 34283.4567 -149218.9290 299.4060 -183502.3857 -149118.0126 299.5671 -100.9614 -64.0530 558779.8140 9.0423 9.2628 PRESSURE: 3595800 -201.11 -77.8917 131.246 -77.8918 70.2925 90.2538 131.245 90.2533 108.814 GPRESSURE: 3595800 -138.379 -68.9853 156.045 -142.444 97.915 78.9472 131.929 75.4334 117.312 PRESSAVG: 3595800 5.46311 26.0176 64.5032 26.0176 31.2311 22.677 64.5034 22.6769 -21.6074 GPRESSAVG: 3595800 5.81757 27.6114 66.1479 26.4105 31.2659 24.8185 63.7795 23.8007 -22.4326 TIMING: 3595800 CPU: 10820.3, 0.00298195/step Wall: 10820.3, 0.00298195/step, 1.16313 hours remaining, 209.269531 MB of memory in use. ENERGY: 3595800 735.7228 2088.4297 1957.2106 133.1564 -206096.0444 17890.3870 0.0000 0.0000 34251.0409 -149040.0970 299.1229 -183291.1380 -148942.8208 299.4986 -7.3347 25.6162 559533.2979 5.0289 4.8836 PRESSURE: 3596000 96.8956 -38.3404 -54.1546 -38.3407 115.281 116.475 -54.1549 116.474 243.867 GPRESSURE: 3596000 169.569 -37.3725 -100.049 -95.7802 79.9323 92.8151 27.6286 72.2691 308.011 PRESSAVG: 3596000 19.0776 8.47823 51.3325 8.47814 57.5558 41.7658 51.3323 41.7657 -55.6474 GPRESSAVG: 3596000 18.9145 7.8067 49.8219 6.63263 56.8226 42.0463 51.2916 40.1313 -54.8316 TIMING: 3596000 CPU: 10820.9, 0.00298778/step Wall: 10820.9, 0.00298778/step, 1.16523 hours remaining, 209.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3596000 750.5242 2087.1129 1967.8303 121.7512 -206606.4757 18225.4612 0.0000 0.0000 34291.2278 -149162.5681 299.4738 -183453.7959 -149066.9605 299.5071 152.0146 185.8374 557607.4427 6.9953 6.9685 PRESSURE: 3596200 43.2255 40.7279 42.9907 40.7288 152.301 0.541569 42.9909 0.541526 151.294 GPRESSURE: 3596200 96.3226 24.7494 121.647 36.6337 151.254 -119.308 60.2671 95.5614 201.932 PRESSAVG: 3596200 -35.1762 39.9285 -17.0858 39.9286 5.78503 -30.3168 -17.0858 -30.3168 28.352 GPRESSAVG: 3596200 -36.0391 38.7669 -15.8234 41.1319 6.00518 -30.6307 -17.0554 -29.3659 29.1447 TIMING: 3596200 CPU: 10821.5, 0.00295906/step Wall: 10821.5, 0.00295906/step, 1.15387 hours remaining, 209.269531 MB of memory in use. ENERGY: 3596200 755.3548 2073.5752 1953.7393 116.2513 -206411.8381 17915.1693 0.0000 0.0000 34562.2472 -149035.5011 301.8407 -183597.7483 -148938.5690 300.7397 115.6070 149.8362 555385.7212 -0.3464 -0.2964 LDB: ============= START OF LOAD BALANCING ============== 10825 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10825 LDB: =============== DONE WITH MIGRATION ================ 10825 LDB: ============= START OF LOAD BALANCING ============== 10825.3 LDB: Largest compute 4802 load 0.027630 is 23.4% of average load 0.118158 LDB: Average compute 0.001708 is 1.4% of average load 0.118158 LDB: TIME 10825.3 LOAD: AVG 0.118158 MAX 0.209888 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.84 MB LDB: TIME 10825.3 LOAD: AVG 0.118158 MAX 0.209888 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.84 MB LDB: TIME 10825.3 LOAD: AVG 0.118158 MAX 0.209888 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.84 MB LDB: ============== END OF LOAD BALANCING =============== 10825.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10825.3 PRESSURE: 3596400 91.2748 -43.0021 -104.754 -43.0025 199.218 42.9755 -104.755 42.9765 124.922 GPRESSURE: 3596400 130.735 -66.0557 -91.3786 31.9867 262.15 66.7974 -84.5045 47.4498 102.042 PRESSAVG: 3596400 -16.8687 -33.3174 20.7993 -33.3173 86.4138 -14.7753 20.7994 -14.7752 -40.1859 GPRESSAVG: 3596400 -15.9157 -30.5255 18.8581 -34.5424 88.2125 -15.7837 21.6846 -14.5032 -43.2984 TIMING: 3596400 CPU: 10822.1, 0.0030381/step Wall: 10822.1, 0.00303809/step, 1.18452 hours remaining, 209.453125 MB of memory in use. ENERGY: 3596400 795.9760 2092.1028 1947.8975 117.8464 -206422.8332 18181.1265 0.0000 0.0000 34279.0003 -149008.8839 299.3670 -183287.8841 -148915.9168 300.1644 138.4717 164.9757 556859.9839 9.7864 9.6661 PRESSURE: 3596600 191.947 -122.746 239.455 -122.746 -47.4817 29.2792 239.454 29.2785 -78.5956 GPRESSURE: 3596600 209.34 -86.2598 316.48 -166.485 0.40183 8.19608 120.194 67.1847 -42.4937 PRESSAVG: 3596600 80.1251 -14.4836 54.2857 -14.4837 -40.3003 38.3355 54.2856 38.3355 -35.0856 GPRESSAVG: 3596600 80.5478 -14.5894 56.5183 -14.3697 -41.6893 39.8798 52.5968 38.0626 -34.0104 TIMING: 3596600 CPU: 10822.7, 0.00297227/step Wall: 10822.7, 0.00297227/step, 1.15869 hours remaining, 209.914062 MB of memory in use. ENERGY: 3596600 738.3923 2146.3715 1958.8200 112.0635 -206245.9878 17864.6059 0.0000 0.0000 34426.6975 -148999.0371 300.6569 -183425.7346 -148903.3289 300.6122 21.9565 55.7494 557949.7440 1.5797 1.6160 PRESSURE: 3596800 -337.946 -121.692 -94.4106 -121.691 -263.067 131.717 -94.4105 131.717 -60.3766 GPRESSURE: 3596800 -318.144 -145.978 -15.8507 -103.803 -192.932 30.3118 -169.797 167.167 -32.1443 PRESSAVG: 3596800 4.1938 -32.1908 35.174 -32.1908 54.4334 -14.7854 35.1741 -14.7854 -29.9462 GPRESSAVG: 3596800 3.481 -33.2238 34.9411 -32.0146 55.8088 -17.8961 35.6074 -12.9648 -30.4055 TIMING: 3596800 CPU: 10823.3, 0.00294892/step Wall: 10823.3, 0.00294892/step, 1.14942 hours remaining, 209.914062 MB of memory in use. ENERGY: 3596800 765.7427 2068.3105 1964.3730 103.8350 -205747.7744 17448.0100 0.0000 0.0000 34315.8223 -149081.6809 299.6886 -183397.5032 -148986.2555 300.0319 -220.4633 -181.0735 557104.9850 9.5603 9.6281 PRESSURE: 3597000 166.199 -16.4509 5.51064 -16.4505 -146.559 -139.86 5.51065 -139.861 -246.866 GPRESSURE: 3597000 197.187 -11.1383 -48.5177 50.1195 -178.509 -200.762 -22.921 -132.324 -158.121 PRESSAVG: 3597000 -4.5589 -13.4801 -53.8895 -13.4801 45.6358 -42.6146 -53.8895 -42.6147 -33.9032 GPRESSAVG: 3597000 -3.53624 -14.3511 -55.0757 -13.6924 45.0952 -40.1185 -52.9333 -45.9871 -34.7447 TIMING: 3597000 CPU: 10823.9, 0.0029536/step Wall: 10823.9, 0.0029536/step, 1.15108 hours remaining, 209.972656 MB of memory in use. ENERGY: 3597000 731.8467 2052.7529 1963.2249 126.9438 -206054.3366 17846.9913 0.0000 0.0000 34183.8565 -149148.7206 298.5361 -183332.5770 -149055.0207 299.8818 -75.7417 -46.4809 556628.0691 2.3912 2.2714 PRESSURE: 3597200 -258.612 84.3171 247.278 84.3193 -69.0707 80.445 247.279 80.4447 80.3784 GPRESSURE: 3597200 -201.421 102.136 207.449 81.6125 11.7279 17.1962 211.951 95.0233 49.3354 PRESSAVG: 3597200 -5.83106 65.2567 -12.6177 65.2567 -51.1501 43.3521 -12.6177 43.3522 19.6152 GPRESSAVG: 3597200 -6.25246 66.9582 -11.3545 65.8657 -50.7804 41.6127 -13.2336 47.1438 19.4531 TIMING: 3597200 CPU: 10824.5, 0.00294691/step Wall: 10824.5, 0.00294691/step, 1.14831 hours remaining, 209.972656 MB of memory in use. ENERGY: 3597200 788.6962 2092.4843 1949.8850 108.3884 -206186.2133 17838.9367 0.0000 0.0000 34365.6577 -149042.1649 300.1238 -183407.8227 -148948.8634 299.9273 -82.4347 -46.7859 556593.4839 -12.4553 -12.5266 PRESSURE: 3597400 73.3094 -53.9993 -25.3782 -53.9992 -151.885 207.83 -25.379 207.83 250.622 GPRESSURE: 3597400 79.6541 -63.8831 68.638 -90.0016 -126.098 179.902 -122.008 194.535 304.054 PRESSAVG: 3597400 -25.3263 -13.1702 9.89415 -13.1701 -12.2413 33.6347 9.89413 33.6348 47.7807 GPRESSAVG: 3597400 -25.3307 -16.2495 8.25603 -12.1322 -12.998 35.8796 10.9997 30.9317 48.3934 TIMING: 3597400 CPU: 10825.1, 0.00295246/step Wall: 10825.1, 0.00295246/step, 1.15031 hours remaining, 209.972656 MB of memory in use. ENERGY: 3597400 732.4113 2107.2653 1929.6401 118.8821 -206346.6560 17818.8006 0.0000 0.0000 34439.9718 -149199.6847 300.7728 -183639.6565 -149104.3339 299.6168 57.3486 85.8702 556821.6652 3.4044 3.3549 PRESSURE: 3597600 -41.4032 172.9 -129.766 172.9 112.84 -55.6385 -129.768 -55.6378 -72.4638 GPRESSURE: 3597600 5.63932 142.391 -185.152 139.655 122.408 -33.7699 -160.573 -44.7602 -37.2337 PRESSAVG: 3597600 25.6441 38.0762 7.28385 38.0762 5.96108 54.1986 7.28384 54.1986 -7.77576 GPRESSAVG: 3597600 25.9744 39.3193 8.01871 37.6233 5.76438 53.6158 4.8277 55.9856 -8.22719 TIMING: 3597600 CPU: 10825.7, 0.00299143/step Wall: 10825.7, 0.00299143/step, 1.16533 hours remaining, 209.980469 MB of memory in use. ENERGY: 3597600 757.1410 2080.3738 1926.0718 128.7936 -206266.6075 17875.7684 0.0000 0.0000 34331.8266 -149166.6323 299.8284 -183498.4589 -149074.0631 299.0998 -0.3425 30.2712 557364.4715 7.9431 7.8372 PRESSURE: 3597800 -245.76 -171.249 79.2773 -171.249 130.903 75.0908 79.2797 75.0898 -15.332 GPRESSURE: 3597800 -150.333 -155.125 167.562 -126.7 44.3153 -12.0408 -47.5269 103.916 70.5002 PRESSAVG: 3597800 -80.7501 -12.7371 -64.3743 -12.7371 37.175 49.2648 -64.3743 49.2648 51.9399 GPRESSAVG: 3597800 -81.0782 -10.5441 -64.7092 -14.3872 37.3291 49.9699 -60.9814 47.7633 52.8267 TIMING: 3597800 CPU: 10826.2, 0.00297635/step Wall: 10826.2, 0.00297635/step, 1.15929 hours remaining, 209.980469 MB of memory in use. ENERGY: 3597800 730.3447 2070.7597 1949.9521 113.5530 -206207.8549 17690.2465 0.0000 0.0000 34420.1579 -149232.8409 300.5998 -183652.9988 -149143.3470 299.4117 -43.3965 -11.8390 557997.7676 2.7883 3.0259 PRESSURE: 3598000 -288.24 -93.3539 85.1374 -93.3538 -177.041 19.5718 85.138 19.5717 -163.262 GPRESSURE: 3598000 -233.463 -60.3675 0.0257487 -113.587 -161.598 38.1126 62.8535 0.180651 -128.1 PRESSAVG: 3598000 -53.8257 -31.2678 6.75604 -31.2677 30.9414 0.0138686 6.75602 0.0138275 -29.8602 GPRESSAVG: 3598000 -53.2831 -31.25 7.10541 -30.2782 31.3237 -1.46302 5.7115 0.846457 -31.1008 TIMING: 3598000 CPU: 10826.8, 0.00296848/step Wall: 10826.8, 0.00296848/step, 1.15606 hours remaining, 209.980469 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: 3598000 764.1446 1978.6788 1951.2585 116.4548 -205968.1339 17603.1227 0.0000 0.0000 34212.7899 -149341.6847 298.7888 -183554.4746 -149240.3380 299.2645 -209.5144 -174.3872 558360.5908 -17.5815 -17.6867 PRESSURE: 3598200 -179.991 39.2157 -159.303 39.2162 -328.513 -10.7821 -159.302 -10.7819 -156.179 GPRESSURE: 3598200 -168.3 80.0237 -137.425 27.2739 -301.012 2.41492 -175.871 -13.5092 -95.0561 PRESSAVG: 3598200 -8.84395 26.8564 -11.2664 26.8565 -19.3087 -58.4363 -11.2663 -58.4364 62.9936 GPRESSAVG: 3598200 -10.3696 25.0122 -10.8646 26.7404 -19.3043 -56.38 -11.5656 -58.0378 64.0617 TIMING: 3598200 CPU: 10827.4, 0.00298205/step Wall: 10827.4, 0.00298205/step, 1.16118 hours remaining, 209.980469 MB of memory in use. ENERGY: 3598200 755.7236 2033.1227 1948.5324 120.3133 -205654.3704 17447.6786 0.0000 0.0000 34121.2048 -149227.7948 297.9890 -183348.9997 -149132.0221 298.0280 -221.5609 -188.1227 558827.8985 11.6137 11.4626 PRESSURE: 3598400 -96.1806 155.94 81.6967 155.939 41.0662 -12.4239 81.6969 -12.4242 0.74797 GPRESSURE: 3598400 -32.8743 180.266 50.6316 105.881 30.457 9.35634 1.2335 -53.1692 42.7852 PRESSAVG: 3598400 14.6882 -9.04687 -12.2827 -9.0468 -53.8261 -25.2246 -12.2827 -25.2245 20.6302 GPRESSAVG: 3598400 14.9976 -8.25327 -11.8513 -9.24003 -53.2491 -25.4553 -15.4043 -26.7625 20.422 TIMING: 3598400 CPU: 10828, 0.00298975/step Wall: 10828, 0.00298975/step, 1.16401 hours remaining, 209.980469 MB of memory in use. ENERGY: 3598400 763.1393 2048.2823 1914.8897 117.7121 -206487.7968 18032.6187 0.0000 0.0000 34194.8118 -149416.3430 298.6318 -183611.1548 -149327.5476 298.5029 -18.1222 13.4560 558616.5366 -6.1692 -5.9432 PRESSURE: 3598600 19.1553 -23.2482 22.18 -23.2486 -288.231 96.9722 22.1798 96.9747 -381.266 GPRESSURE: 3598600 26.918 23.4324 26.4784 -94.7035 -271.867 39.2567 -26.4609 160.817 -317.546 PRESSAVG: 3598600 -37.7491 88.5427 29.1869 88.5428 -6.92067 -5.97838 29.187 -5.97832 51.2366 GPRESSAVG: 3598600 -37.6153 88.0668 29.3912 86.9532 -7.12533 -7.1756 30.5459 -3.05798 51.7568 TIMING: 3598600 CPU: 10828.6, 0.0029641/step Wall: 10828.6, 0.0029641/step, 1.15386 hours remaining, 209.980469 MB of memory in use. ENERGY: 3598600 762.9160 2048.3638 1924.6454 130.4859 -205679.7539 17542.9184 0.0000 0.0000 34049.8808 -149220.5438 297.3661 -183270.4246 -149132.6845 298.6174 -216.7804 -187.4981 559248.6820 2.1889 2.3387 PRESSURE: 3598800 -59.4991 -87.85 -94.8533 -87.851 -275.209 -83.2244 -94.8515 -83.2264 120.014 GPRESSURE: 3598800 -40.4191 -97.1192 -102.506 -37.544 -176.476 -56.1599 -122.548 -78.2555 93.743 PRESSAVG: 3598800 -36.6753 -53.4575 -73.4867 -53.4574 7.55391 -15.641 -73.4867 -15.641 52.8654 GPRESSAVG: 3598800 -36.2961 -50.9944 -72.8724 -52.8486 9.20143 -14.53 -73.8683 -17.0737 51.2746 TIMING: 3598800 CPU: 10829.2, 0.0029741/step Wall: 10829.2, 0.0029741/step, 1.15759 hours remaining, 209.980469 MB of memory in use. ENERGY: 3598800 778.2725 2078.9532 1930.7655 113.4226 -206463.9077 17990.5201 0.0000 0.0000 34249.0379 -149322.9360 299.1054 -183571.9739 -149225.1882 299.1356 -71.5647 -41.0508 557502.7838 7.9146 8.0600 PRESSURE: 3599000 -119.806 4.08246 -157.732 4.08165 -166.589 81.4033 -157.731 81.4038 47.6469 GPRESSURE: 3599000 -87.7444 -100.391 -75.5926 12.0381 -111.796 67.803 -192.108 141.538 60.1163 PRESSAVG: 3599000 -49.852 -50.6245 -46.7216 -50.6245 15.5003 13.2935 -46.7217 13.2935 54.8024 GPRESSAVG: 3599000 -50.5885 -53.7144 -48.5155 -48.7203 14.5347 12.5558 -45.2398 15.9021 56.5404 TIMING: 3599000 CPU: 10829.8, 0.00296643/step Wall: 10829.8, 0.00296643/step, 1.15444 hours remaining, 209.980469 MB of memory in use. ENERGY: 3599000 735.6611 2055.8538 1939.4579 115.6859 -206141.2524 17749.0694 0.0000 0.0000 34293.8926 -149251.6317 299.4971 -183545.5243 -149146.3574 298.0414 -79.5828 -46.4746 559066.4015 6.8169 6.8289 PRESSURE: 3599200 -48.448 -79.4603 -18.5377 -79.461 -225.104 195.26 -18.536 195.26 79.4523 GPRESSURE: 3599200 -50.6943 -33.3251 -61 -41.6109 -132.024 316.947 31.9342 146.005 85.6425 PRESSAVG: 3599200 -55.7307 -35.7922 -51.2117 -35.7923 -4.11715 -5.35924 -51.2117 -5.3593 38.1883 GPRESSAVG: 3599200 -55.6804 -35.2677 -51.1843 -36.6035 -4.27315 -4.70882 -50.8414 -7.53474 38.6621 TIMING: 3599200 CPU: 10830.4, 0.00297222/step Wall: 10830.4, 0.00297222/step, 1.15652 hours remaining, 209.980469 MB of memory in use. ENERGY: 3599200 743.4895 2048.7235 1950.7337 125.3153 -206225.6319 17887.7638 0.0000 0.0000 34326.7588 -149142.8474 299.7841 -183469.6062 -149043.1693 298.7175 -64.6999 -32.3585 557947.4388 -7.2199 -7.0972 PRESSURE: 3599400 -148.004 50.1439 -66.2034 50.1438 47.2443 -224.339 -66.2041 -224.339 131.905 GPRESSURE: 3599400 -140.281 -38.0563 -32.1502 42.0908 119.622 -188.137 -103.586 -292.811 129.595 PRESSAVG: 3599400 -11.0743 21.7107 16.5237 21.7109 -29.751 22.717 16.5237 22.717 68.3635 GPRESSAVG: 3599400 -10.2759 20.8701 18.3019 21.7559 -29.7295 22.3488 14.566 21.6454 67.1663 TIMING: 3599400 CPU: 10831, 0.00298406/step Wall: 10831, 0.00298406/step, 1.16097 hours remaining, 209.980469 MB of memory in use. ENERGY: 3599400 717.7364 2107.4919 1897.7124 110.9972 -205988.6816 17773.5010 0.0000 0.0000 34201.9904 -149179.2523 298.6945 -183381.2427 -149082.3109 298.6232 10.3815 36.3119 557291.7181 9.1794 9.0536 PRESSURE: 3599600 -147.802 -168.644 251.145 -168.644 27.9288 30.1659 251.146 30.1662 142.152 GPRESSURE: 3599600 -183.792 -193.341 261.988 -97.1221 27.5288 -45.8741 240.582 -0.670495 266.813 PRESSAVG: 3599600 -63.219 11.6485 -24.2336 11.6484 3.0468 32.2995 -24.2335 32.2996 71.9534 GPRESSAVG: 3599600 -63.745 13.8252 -26.4243 10.529 2.54898 31.7601 -23.5874 31.4016 73.3624 TIMING: 3599600 CPU: 10831.6, 0.00300643/step Wall: 10831.6, 0.00300643/step, 1.1695 hours remaining, 209.980469 MB of memory in use. ENERGY: 3599600 767.8538 2059.6041 1933.3474 107.7641 -206254.6361 17809.9099 0.0000 0.0000 34146.7088 -149429.4480 298.2117 -183576.1567 -149339.2598 298.5394 7.4262 36.8498 556822.2300 3.9271 4.0555 PRESSURE: 3599800 -10.0407 -3.75978 -22.0691 -3.75928 126.194 52.4064 -22.0712 52.4061 -14.0621 GPRESSURE: 3599800 75.1537 -43.8123 42.1543 76.6582 37.2483 -7.05671 -63.311 86.9862 83.5675 PRESSAVG: 3599800 -19.0089 -23.4345 67.4455 -23.4345 -64.1006 92.4417 67.4455 92.4418 87.2189 GPRESSAVG: 3599800 -18.8196 -23.8353 69.6586 -22.8448 -64.2582 91.2694 67.1923 96.5918 86.655 TIMING: 3599800 CPU: 10832.2, 0.00299846/step Wall: 10832.2, 0.00299846/step, 1.16623 hours remaining, 209.980469 MB of memory in use. ENERGY: 3599800 752.2322 2120.2626 1907.5549 100.6215 -206411.6054 17875.8592 0.0000 0.0000 34275.8083 -149379.2666 299.3392 -183655.0749 -149290.5219 298.8463 34.0305 65.3232 555706.3289 1.3698 1.1924 PRESSURE: 3600000 216.626 -61.39 -130.043 -61.3887 6.9108 77.5621 -130.043 77.5622 51.6469 GPRESSURE: 3600000 259.047 -7.58923 -159.556 -120.209 21.233 144.7 -18.8098 13.9788 102.293 PRESSAVG: 3600000 107.109 -55.7373 -16.3881 -55.7373 -71.4002 17.3241 -16.3881 17.324 11.4901 GPRESSAVG: 3600000 106.817 -55.9975 -17.9522 -56.1848 -70.0211 20.2576 -14.5728 13.3345 10.0578 TIMING: 3600000 CPU: 10832.8, 0.00297079/step Wall: 10832.8, 0.00297079/step, 1.15531 hours remaining, 209.980469 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: 3600000 727.1876 2072.0856 1942.6778 113.1890 -206299.8760 17900.9873 0.0000 0.0000 34148.3107 -149395.4380 298.2257 -183543.7486 -149293.7208 298.8897 91.7280 127.5241 557300.3809 15.7331 15.6179 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3600000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 3600000 WRITING COORDINATES TO RESTART FILE AT STEP 3600000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3600200 -68.0122 -55.8464 114.901 -55.846 41.4114 132.711 114.901 132.711 76.4053 GPRESSURE: 3600200 -14.9357 -132.789 70.3729 -6.91959 63.7414 212.105 128.636 45.1478 106.489 PRESSAVG: 3600200 24.4202 -3.63157 19.2573 -3.63151 -59.5215 7.44398 19.2573 7.44401 26.0052 GPRESSAVG: 3600200 24.0709 -3.59403 17.928 0.200137 -59.3024 6.29614 19.6038 7.94386 26.3837 TIMING: 3600200 CPU: 10833.4, 0.00305507/step Wall: 10833.4, 0.00305507/step, 1.18791 hours remaining, 210.105469 MB of memory in use. ENERGY: 3600200 708.7177 2022.6196 1931.4315 105.4006 -206128.6792 17768.4717 0.0000 0.0000 34175.2306 -149416.8077 298.4608 -183592.0382 -149315.6439 298.6326 16.6015 51.7648 557652.4580 -3.0320 -2.9493 LDB: ============= START OF LOAD BALANCING ============== 10836.9 LDB: ============== END OF LOAD BALANCING =============== 10836.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10836.9 LDB: ============= START OF LOAD BALANCING ============== 10837.2 LDB: Largest compute 4802 load 0.030917 is 26.1% of average load 0.118280 LDB: Average compute 0.001725 is 1.5% of average load 0.118280 LDB: TIME 10837.2 LOAD: AVG 0.11828 MAX 0.209502 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.227 MB LDB: TIME 10837.2 LOAD: AVG 0.11828 MAX 0.209502 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.297 MB LDB: TIME 10837.2 LOAD: AVG 0.11828 MAX 0.209502 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.297 MB LDB: ============== END OF LOAD BALANCING =============== 10837.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10837.2 PRESSURE: 3600400 9.65278 -43.7863 -28.5946 -43.7877 -54.6872 -102.117 -28.5946 -102.116 19.6232 GPRESSURE: 3600400 67.6562 -19.9782 6.50792 -45.5008 -12.8629 -55.9082 2.65794 -130.118 15.9938 PRESSAVG: 3600400 9.7664 -34.7714 15.9837 -34.7714 -64.3403 21.4955 15.9837 21.4955 36.9549 GPRESSAVG: 3600400 9.33359 -34.9901 17.3595 -36.4984 -64.8659 22.6847 14.3824 23.1919 38.1206 TIMING: 3600400 CPU: 10834, 0.00303701/step Wall: 10834, 0.00303701/step, 1.18072 hours remaining, 209.253906 MB of memory in use. ENERGY: 3600400 761.6647 2033.1259 1922.3765 124.0232 -206270.3711 17887.0427 0.0000 0.0000 34150.3132 -149391.8250 298.2432 -183542.1381 -149296.2069 298.7156 -8.4704 23.5957 558265.5221 -5.8730 -5.8039 PRESSURE: 3600600 -139.654 80.0611 55.2264 80.0609 -65.812 -62.3995 55.2255 -62.3972 -225.426 GPRESSURE: 3600600 -121.559 50.498 40.387 74.1227 -2.02411 15.9383 32.624 -78.9012 -206.532 PRESSAVG: 3600600 -10.491 -31.5317 28.0985 -31.5317 -2.44544 -8.86049 28.0986 -8.86048 -14.6592 GPRESSAVG: 3600600 -10.2132 -31.2923 28.4838 -32.3194 -3.45165 -10.3351 27.7847 -8.94603 -13.6608 TIMING: 3600600 CPU: 10834.6, 0.00303407/step Wall: 10834.6, 0.00303407/step, 1.17941 hours remaining, 209.253906 MB of memory in use. ENERGY: 3600600 707.3513 2100.6352 1949.6172 99.4648 -206050.1486 17543.3313 0.0000 0.0000 34371.9814 -149277.7673 300.1791 -183649.7488 -149181.3443 298.1202 -143.6306 -110.0384 557899.8232 -9.1985 -9.1085 PRESSURE: 3600800 -47.7771 43.5085 -88.3918 43.5073 -88.5498 -109.627 -88.3905 -109.625 158.971 GPRESSURE: 3600800 55.2924 95.8957 -86.0628 -58.4381 -88.2185 -62.1137 -78.7351 -133.177 154.551 PRESSAVG: 3600800 -16.2932 17.3093 -34.4028 17.3093 -9.26605 28.04 -34.4027 28.04 6.70898 GPRESSAVG: 3600800 -15.7976 18.0782 -33.869 17.3894 -9.77144 28.7957 -34.1697 27.7655 5.81337 TIMING: 3600800 CPU: 10835.2, 0.00300329/step Wall: 10835.2, 0.00300329/step, 1.16728 hours remaining, 209.253906 MB of memory in use. ENERGY: 3600800 716.1332 2108.7271 1925.9624 113.1260 -206115.5926 17790.3088 0.0000 0.0000 34312.8222 -149148.5129 299.6624 -183461.3351 -149055.0843 298.7368 7.5481 40.5415 557840.9976 -6.2834 -6.5852 PRESSURE: 3601000 95.0881 255.831 98.968 255.831 93.3595 114.379 98.967 114.379 -99.8307 GPRESSURE: 3601000 172.947 198.995 111.729 287.045 126.347 50.8674 76.4384 156.955 -113.389 PRESSAVG: 3601000 -29.6717 35.2658 21.6485 35.2657 -18.3545 20.1031 21.6485 20.1031 28.5663 GPRESSAVG: 3601000 -29.827 35.3612 21.505 36.0728 -17.1174 17.0678 24.4334 21.2508 27.5807 TIMING: 3601000 CPU: 10835.8, 0.00300482/step Wall: 10835.8, 0.00300482/step, 1.16771 hours remaining, 209.253906 MB of memory in use. ENERGY: 3601000 747.6667 2095.2406 1945.5503 115.3561 -206355.2115 17968.4202 0.0000 0.0000 34483.0729 -148999.9048 301.1493 -183482.9777 -148902.8294 299.3874 29.5390 61.9681 555676.7789 -6.4866 -6.4545 PRESSURE: 3601200 60.0424 88.4487 118.697 88.4501 396.876 41.807 118.696 41.8062 38.2971 GPRESSURE: 3601200 39.7719 79.8186 78.3773 73.2435 458.653 47.4217 105.966 39.288 83.8077 PRESSAVG: 3601200 -15.7603 121.644 28.1802 121.644 2.11768 6.53727 28.1803 6.53707 45.8719 GPRESSAVG: 3601200 -15.6652 119.36 28.3217 123.119 1.43044 7.99048 25.9265 4.36317 46.1151 TIMING: 3601200 CPU: 10836.4, 0.00298469/step Wall: 10836.4, 0.00298469/step, 1.15972 hours remaining, 209.253906 MB of memory in use. ENERGY: 3601200 729.8181 2094.0276 1947.8802 121.1047 -206150.1480 17967.2397 0.0000 0.0000 34529.4108 -148760.6670 301.5539 -183290.0778 -148673.2760 300.1990 165.0718 194.0776 555319.6255 10.7431 10.6268 PRESSURE: 3601400 157.178 73.7686 -106.617 73.7682 77.5323 50.8498 -106.616 50.8504 -114.725 GPRESSURE: 3601400 149.983 60.9912 -12.307 169.314 144.041 26.4033 -46.287 88.7565 -86.3708 PRESSAVG: 3601400 -22.0205 69.2599 -11.0008 69.2599 15.2143 -34.0107 -11.0008 -34.0106 26.5982 GPRESSAVG: 3601400 -22.2659 70.8867 -11.5495 68.3996 15.7056 -31.8046 -11.319 -33.6885 26.2554 TIMING: 3601400 CPU: 10837, 0.00300764/step Wall: 10837, 0.00300764/step, 1.16847 hours remaining, 209.253906 MB of memory in use. ENERGY: 3601400 759.3817 2091.8371 1951.0533 119.1217 -205642.9195 17745.9552 0.0000 0.0000 34057.0584 -148918.5120 297.4288 -182975.5704 -148820.4849 300.1518 39.9952 69.2177 557255.2470 6.5973 6.5651 PRESSURE: 3601600 -251.261 57.9435 103.49 57.9435 -209.473 -50.6325 103.488 -50.6323 -149.651 GPRESSURE: 3601600 -194.008 51.9001 140.925 66.9766 -192.928 4.10604 73.7841 -48.8431 -120.7 PRESSAVG: 3601600 11.103 -68.244 -14.2045 -68.244 -5.97544 -32.3474 -14.2046 -32.3473 -18.8388 GPRESSAVG: 3601600 10.3906 -67.5814 -13.1966 -69.0336 -7.03753 -32.1985 -13.3415 -32.7474 -17.5714 TIMING: 3601600 CPU: 10837.6, 0.0029952/step Wall: 10837.6, 0.0029952/step, 1.16347 hours remaining, 209.253906 MB of memory in use. ENERGY: 3601600 751.1540 2071.8502 1946.2435 132.1060 -205743.1891 17546.0552 0.0000 0.0000 34198.4828 -149097.2974 298.6639 -183295.7802 -149005.5207 299.4023 -203.4615 -169.2119 557860.7137 -4.5704 -4.7394 PRESSURE: 3601800 -184.326 -33.6719 26.61 -33.6722 -14.5222 2.2691 26.61 2.26978 213.549 GPRESSURE: 3601800 -138.217 -61.5086 50.7605 -53.5551 12.9081 56.4289 17.7422 -10.5413 237.489 PRESSAVG: 3601800 4.38923 -65.6498 17.4841 -65.6498 1.24507 35.2493 17.4842 35.2493 37.2422 GPRESSAVG: 3601800 4.15225 -66.004 14.6624 -64.7433 1.41639 33.7161 18.0876 36.1451 37.4278 TIMING: 3601800 CPU: 10838.2, 0.00298416/step Wall: 10838.2, 0.00298416/step, 1.15901 hours remaining, 209.253906 MB of memory in use. ENERGY: 3601800 719.2775 2093.7709 1910.7881 108.9511 -206019.6945 17811.6129 0.0000 0.0000 34303.0537 -149072.2404 299.5771 -183375.2941 -148977.1502 299.9108 4.9002 37.3936 555755.4176 14.2922 14.3321 PRESSURE: 3602000 78.8176 -99.3629 82.7875 -99.362 -245.002 135.873 82.7875 135.871 127.991 GPRESSURE: 3602000 85.9848 -101.938 100.773 -76.8581 -201.297 171.605 62.3523 196.237 172.468 PRESSAVG: 3602000 49.7147 0.487824 -27.7792 0.487762 -52.9492 67.4104 -27.7791 67.4104 -10.3089 GPRESSAVG: 3602000 48.3122 0.415619 -28.414 -2.67899 -52.0582 66.849 -26.0786 67.1984 -10.2016 TIMING: 3602000 CPU: 10838.8, 0.00298112/step Wall: 10838.8, 0.00298112/step, 1.15767 hours remaining, 209.253906 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: 3602000 716.0179 2063.5229 1938.7759 120.8484 -206083.8037 17556.9773 0.0000 0.0000 34593.0589 -149094.6024 302.1098 -183687.6612 -148998.0354 299.9502 -12.7309 19.0517 554441.0912 -4.5145 -4.6492 PRESSURE: 3602200 -215.06 84.3472 -6.39863 84.3469 -224.959 -39.7053 -6.39829 -39.705 -105.496 GPRESSURE: 3602200 -205.361 90.5422 16.3424 91.9337 -187.902 -1.0793 -35.2937 -75.9158 -65.2526 PRESSAVG: 3602200 38.8957 59.8335 -12.9881 59.8335 -63.4803 2.26225 -12.988 2.26234 11.133 GPRESSAVG: 3602200 40.8563 60.0285 -10.7475 61.2383 -64.7187 2.40944 -15.6009 3.20617 10.4485 TIMING: 3602200 CPU: 10839.4, 0.00294669/step Wall: 10839.4, 0.00294668/step, 1.14413 hours remaining, 209.253906 MB of memory in use. ENERGY: 3602200 739.5184 2080.1053 1919.4777 118.1786 -205776.2876 17404.9377 0.0000 0.0000 34481.6456 -149032.4242 301.1368 -183514.0698 -148934.9779 300.0434 -181.8383 -152.8387 556210.1292 -4.4839 -4.4713 PRESSURE: 3602400 -119.181 -85.7005 5.9191 -85.7009 39.8053 -24.3447 5.9186 -24.3431 150.204 GPRESSURE: 3602400 -74.9817 -90.0914 45.0083 -59.4471 49.998 -114.152 -123.629 115.941 197.907 PRESSAVG: 3602400 47.9895 20.2491 -58.3198 20.249 -58.702 -13.7361 -58.3199 -13.7361 3.81278 GPRESSAVG: 3602400 46.9457 20.3447 -58.5569 22.2467 -57.4334 -12.4661 -61.4712 -13.0475 3.66624 TIMING: 3602400 CPU: 10840, 0.00294714/step Wall: 10840, 0.00294714/step, 1.14415 hours remaining, 209.253906 MB of memory in use. ENERGY: 3602400 807.9084 2112.1359 1946.7386 113.6887 -206527.8526 17972.5751 0.0000 0.0000 34600.2051 -148974.6008 302.1722 -183574.8059 -148874.4482 300.0643 23.6097 57.6411 556335.4933 -2.2999 -2.2738 PRESSURE: 3602600 -76.1174 98.0244 -142.609 98.0251 -157.825 -91.6541 -142.608 -91.6556 -103.641 GPRESSURE: 3602600 -37.6691 135.796 -57.181 87.3296 -125.083 -107.582 -42.9795 -102.966 -91.3354 PRESSAVG: 3602600 -37.3651 -9.3519 10.9493 -9.35187 -6.28968 5.0357 10.9494 5.03571 33.7564 GPRESSAVG: 3602600 -37.5045 -9.7577 9.72883 -10.6406 -7.11639 3.26374 14.9108 3.98642 34.5567 TIMING: 3602600 CPU: 10840.6, 0.00293757/step Wall: 10840.6, 0.00293757/step, 1.14027 hours remaining, 209.253906 MB of memory in use. ENERGY: 3602600 749.2376 2121.4830 1944.7740 109.4694 -206049.9002 17770.5065 0.0000 0.0000 34287.3633 -149067.0664 299.4401 -183354.4296 -148966.3586 300.0244 -112.5278 -84.6960 558060.0990 -3.2995 -3.3547 PRESSURE: 3602800 -175.028 44.0499 -141.877 44.05 -206.619 -7.11342 -141.879 -7.11379 -158.022 GPRESSURE: 3602800 -166.566 96.3472 -123.271 34.0125 -148.773 -71.1362 -79.6943 -55.531 -138.01 PRESSAVG: 3602800 3.58912 37.5104 11.0057 37.5104 30.1154 -45.47 11.0058 -45.4698 7.68075 GPRESSAVG: 3602800 4.10727 37.0276 13.1051 38.2043 29.9809 -43.7075 9.7063 -44.835 7.52305 TIMING: 3602800 CPU: 10841.2, 0.00296812/step Wall: 10841.2, 0.00296812/step, 1.15196 hours remaining, 209.253906 MB of memory in use. ENERGY: 3602800 735.0800 2107.2386 1956.1474 113.4358 -205607.6651 17673.2160 0.0000 0.0000 34014.5751 -149007.9722 297.0577 -183022.5473 -148910.3282 299.7455 -179.8897 -151.1165 560372.5581 13.7951 13.8704 PRESSURE: 3603000 -65.8923 155.835 139.377 155.835 192.779 28.3158 139.378 28.3171 362.415 GPRESSURE: 3603000 -20.1699 137.15 79.2089 119.733 260.245 44.541 138.882 31.1306 345.173 PRESSAVG: 3603000 -93.8408 -15.6063 35.728 -15.6062 28.2784 0.0626508 35.7279 0.0626577 16.6914 GPRESSAVG: 3603000 -94.3979 -16.9116 35.1595 -15.4402 29.4818 1.02007 37.1197 -0.0558761 16.1797 TIMING: 3603000 CPU: 10841.8, 0.00296926/step Wall: 10841.8, 0.00296926/step, 1.15224 hours remaining, 209.253906 MB of memory in use. ENERGY: 3603000 727.6151 2082.4655 1982.2715 110.6911 -206154.2595 17912.7710 0.0000 0.0000 34307.0774 -149031.3679 299.6122 -183338.4454 -148934.2793 299.3037 163.1007 195.0827 559144.7608 -16.2903 -16.2454 PRESSURE: 3603200 133.502 -93.2516 -17.8421 -93.2515 -120.907 -146.082 -17.8408 -146.082 26.9318 GPRESSURE: 3603200 190.088 -107.017 -104.989 -96.2504 -107.456 -14.3563 -40.0659 -130.735 65.8993 PRESSAVG: 3603200 -4.88292 -0.387237 -14.7921 -0.387276 22.1531 9.64619 -14.7921 9.64632 -27.6856 GPRESSAVG: 3603200 -5.0548 2.11721 -14.7031 -1.23103 22.6903 6.55734 -14.9376 11.5501 -28.0686 TIMING: 3603200 CPU: 10842.4, 0.00296511/step Wall: 10842.4, 0.00296511/step, 1.15046 hours remaining, 209.253906 MB of memory in use. ENERGY: 3603200 737.3619 2061.2282 1931.8177 119.4532 -205784.9641 17796.0902 0.0000 0.0000 34161.9772 -148977.0355 298.3450 -183139.0127 -148880.2275 300.1321 13.1756 49.5107 557230.3892 -3.4718 -3.4777 PRESSURE: 3603400 -121.292 -112.461 -122.238 -112.462 -301.648 -85.1939 -122.237 -85.1929 -128.562 GPRESSURE: 3603400 -89.275 -35.3717 -76.9724 -211.001 -210.989 -190.594 -199.392 -57.6664 -152.896 PRESSAVG: 3603400 26.2492 30.436 -9.96868 30.436 -32.6485 8.40074 -9.96868 8.40066 23.3494 GPRESSAVG: 3603400 25.7247 29.7618 -9.45357 30.7655 -33.6494 10.1654 -11.3198 5.90717 24.6614 TIMING: 3603400 CPU: 10843, 0.00299187/step Wall: 10843, 0.00299187/step, 1.16068 hours remaining, 209.253906 MB of memory in use. ENERGY: 3603400 740.4783 2158.8693 1938.2333 115.5576 -205800.5500 17623.5983 0.0000 0.0000 34369.5888 -148854.2242 300.1582 -183223.8130 -148760.0048 300.1351 -183.8337 -151.0533 559187.4670 5.6501 5.5789 PRESSURE: 3603600 134.878 -38.5863 53.7226 -38.5873 -7.11754 43.6246 53.7232 43.6245 354.083 GPRESSURE: 3603600 177.566 -13.4764 10.823 -3.15382 91.3847 -11.811 116.155 91.3295 320.872 PRESSAVG: 3603600 -5.14327 19.8242 40.5147 19.8242 -22.6153 0.626017 40.5146 0.626041 8.40136 GPRESSAVG: 3603600 -4.27818 18.6734 41.0038 21.6203 -22.7751 1.13515 40.6279 1.10893 7.94679 TIMING: 3603600 CPU: 10843.6, 0.0029622/step Wall: 10843.6, 0.0029622/step, 1.149 hours remaining, 209.253906 MB of memory in use. ENERGY: 3603600 755.7034 2141.7764 1943.6434 98.6573 -206150.1188 17985.5025 0.0000 0.0000 34397.6595 -148827.1762 300.4033 -183224.8357 -148737.1743 300.2290 160.6147 196.6075 557542.1045 -6.4524 -6.3688 PRESSURE: 3603800 81.3654 -122.341 51.6947 -122.338 274.132 -20.3954 51.6951 -20.3959 44.7982 GPRESSURE: 3603800 141.377 -82.5993 123.039 -167.106 263.3 -32.3977 84.623 -25.3273 91.3953 PRESSAVG: 3603800 63.1238 -36.4638 53.8014 -36.4638 -40.1907 3.56075 53.8014 3.56082 1.93794 GPRESSAVG: 3603800 64.0235 -35.7697 51.8442 -38.1414 -40.0727 2.77859 54.4848 3.62485 0.722557 TIMING: 3603800 CPU: 10844.2, 0.0029859/step Wall: 10844.2, 0.0029859/step, 1.15803 hours remaining, 209.253906 MB of memory in use. ENERGY: 3603800 783.8215 2154.9544 1942.2117 102.7779 -206132.4698 17950.1719 0.0000 0.0000 34365.2939 -148833.2385 300.1207 -183198.5323 -148738.5596 300.5744 133.4319 165.3577 555516.7585 8.2903 8.2245 PRESSURE: 3604000 -100.662 121.767 149.334 121.765 -164.878 58.9988 149.333 58.9988 -90.7287 GPRESSURE: 3604000 -50.1971 136.587 145.47 74.0323 -119.739 113.831 114.137 15.8923 -85.1424 PRESSAVG: 3604000 15.088 -33.7201 -10.3068 -33.7202 -13.9802 -0.165036 -10.3068 -0.165081 0.640575 GPRESSAVG: 3604000 14.7231 -32.8782 -9.21327 -35.8745 -13.6519 1.37887 -9.58246 1.40354 1.20077 TIMING: 3604000 CPU: 10844.8, 0.00300476/step Wall: 10844.8, 0.00300476/step, 1.16518 hours remaining, 209.253906 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: 3604000 741.7854 2081.6055 1942.1063 114.0605 -205946.1852 17684.5457 0.0000 0.0000 34272.0811 -149110.0006 299.3066 -183382.0818 -149004.0384 300.5030 -118.7562 -85.0261 558990.9159 0.5828 0.7573 PRESSURE: 3604200 -155.482 -121.848 -95.8183 -121.847 -176.497 128.856 -95.8181 128.854 110.167 GPRESSURE: 3604200 -134.119 -9.65468 -87.532 -213.454 -149.158 84.7953 -162.066 133.089 162.811 PRESSAVG: 3604200 6.18764 -14.742 23.0237 -14.742 -9.83005 31.4941 23.0238 31.4943 11.8347 GPRESSAVG: 3604200 5.5065 -16.5928 24.462 -12.5389 -9.5422 30.6458 20.0584 30.9848 12.0245 TIMING: 3604200 CPU: 10845.4, 0.00301059/step Wall: 10845.4, 0.00301059/step, 1.16727 hours remaining, 209.253906 MB of memory in use. ENERGY: 3604200 764.5563 2030.0732 1964.1453 108.8903 -206040.8156 17773.0494 0.0000 0.0000 34302.0393 -149098.0618 299.5682 -183400.1011 -148996.5179 299.4274 -73.9370 -40.1555 558328.4971 2.7308 2.6629 LDB: ============= START OF LOAD BALANCING ============== 10848.9 LDB: ============== END OF LOAD BALANCING =============== 10848.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10848.9 LDB: ============= START OF LOAD BALANCING ============== 10849.2 LDB: Largest compute 4802 load 0.031860 is 27.0% of average load 0.118178 LDB: Average compute 0.001721 is 1.5% of average load 0.118178 LDB: TIME 10849.2 LOAD: AVG 0.118178 MAX 0.211195 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.664 MB LDB: TIME 10849.2 LOAD: AVG 0.118178 MAX 0.211195 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.664 MB LDB: TIME 10849.2 LOAD: AVG 0.118178 MAX 0.211195 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.664 MB LDB: ============== END OF LOAD BALANCING =============== 10849.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10849.2 PRESSURE: 3604400 9.14368 157.699 85.4752 157.699 -49.4813 72.8401 85.4753 72.8402 208.587 GPRESSURE: 3604400 67.9129 230.31 40.3786 120.633 -40.9072 125.75 88.2727 45.5768 242.287 PRESSAVG: 3604400 -18.9331 17.2701 71.731 17.2701 27.7821 22.3468 71.7309 22.3468 10.5684 GPRESSAVG: 3604400 -18.7716 17.2579 69.6168 17.345 26.2803 22.2121 74.1344 22.5137 11.8186 TIMING: 3604400 CPU: 10846, 0.00308288/step Wall: 10846, 0.00308288/step, 1.19513 hours remaining, 209.710938 MB of memory in use. ENERGY: 3604400 771.3843 2100.6905 1931.9482 102.9250 -206365.2338 17966.1306 0.0000 0.0000 34299.7522 -149192.4029 299.5483 -183492.1551 -149093.1579 299.5884 56.0830 89.7643 558302.2121 6.4725 6.4424 PRESSURE: 3604600 142.959 -17.4971 -122.638 -17.4971 17.9883 -132.416 -122.639 -132.418 5.92661 GPRESSURE: 3604600 213.503 -16.15 -22.8602 -32.118 -32.0101 -79.1976 -110.477 -103.625 80.6135 PRESSAVG: 3604600 53.8236 28.0866 -9.69891 28.0866 -10.7706 -52.0857 -9.69899 -52.0858 -26.0244 GPRESSAVG: 3604600 54.1385 27.5492 -7.69123 28.0246 -10.1565 -53.2928 -10.4747 -50.5802 -27.1208 TIMING: 3604600 CPU: 10846.6, 0.00300056/step Wall: 10846.6, 0.00300056/step, 1.16305 hours remaining, 209.710938 MB of memory in use. ENERGY: 3604600 743.9098 2072.4322 1958.7760 112.2966 -206021.0720 17922.8802 0.0000 0.0000 34062.7956 -149147.9817 297.4789 -183210.7773 -149058.2885 299.5016 55.6246 87.3687 558297.8171 5.6762 5.6204 PRESSURE: 3604800 -296.637 128.586 -20.3222 128.587 -26.5119 -50.0761 -20.3222 -50.0757 -20.8358 GPRESSURE: 3604800 -267.704 43.688 19.6364 101.409 34.0719 -33.0005 22.4957 -72.068 -11.2918 PRESSAVG: 3604800 -86.9214 -12.8058 -31.4716 -12.8058 25.5821 -44.4022 -31.4714 -44.4022 24.1886 GPRESSAVG: 3604800 -86.2978 -12.7799 -31.9314 -13.2398 26.521 -41.1486 -30.6319 -47.0265 23.2172 TIMING: 3604800 CPU: 10847.2, 0.00301138/step Wall: 10847.2, 0.00301138/step, 1.16708 hours remaining, 209.710938 MB of memory in use. ENERGY: 3604800 742.0207 2108.5298 1927.9908 106.8558 -206436.3632 17743.3445 0.0000 0.0000 34475.6354 -149331.9862 301.0843 -183807.6216 -149232.6309 299.4197 -114.6616 -81.6415 558003.4068 -12.3836 -12.1865 PRESSURE: 3605000 14.7881 -42.9567 -102.351 -42.9571 -101.269 -1.23534 -102.352 -1.23427 68.0122 GPRESSURE: 3605000 47.6194 -82.153 -141.057 -39.5955 -13.1714 -34.1476 -35.5884 77.9328 47.7622 PRESSAVG: 3605000 -32.0546 -40.0323 24.0343 -40.0322 -1.37575 -6.73416 24.0342 -6.73417 24.2291 GPRESSAVG: 3605000 -32.2735 -41.1401 25.2333 -40.5482 -1.65816 -9.45728 23.3602 -4.18434 24.9563 TIMING: 3605000 CPU: 10847.8, 0.00302734/step Wall: 10847.8, 0.00302734/step, 1.17309 hours remaining, 209.710938 MB of memory in use. ENERGY: 3605000 758.5275 2111.6249 1947.0364 120.7856 -206098.7121 17705.7808 0.0000 0.0000 34372.6375 -149082.3193 300.1848 -183454.9569 -148986.7058 299.4143 -6.1561 27.4034 556982.6626 -3.0671 -2.9918 PRESSURE: 3605200 122.953 -193.772 -114.312 -193.772 -182.188 198.958 -114.313 198.959 -228.074 GPRESSURE: 3605200 119.481 -172.671 -65.8732 -116.237 -126.13 161.082 -106.645 199.632 -178.809 PRESSAVG: 3605200 -0.0179685 -28.2017 -19.3191 -28.2016 22.6732 8.98457 -19.3192 8.98467 0.418183 GPRESSAVG: 3605200 0.412308 -25.6944 -20.5205 -25.8506 21.8735 9.56503 -19.0783 7.50417 0.658118 TIMING: 3605200 CPU: 10848.4, 0.0030655/step Wall: 10848.4, 0.0030655/step, 1.18771 hours remaining, 209.710938 MB of memory in use. ENERGY: 3605200 782.8521 2109.1529 1928.7508 119.5227 -206078.9549 17681.2594 0.0000 0.0000 34221.4382 -149235.9787 298.8643 -183457.4169 -149145.3158 299.2285 -95.7694 -61.8194 557220.6564 7.6911 7.6480 PRESSURE: 3605400 -69.9733 -59.269 123.947 -59.2697 -102.31 -130.097 123.946 -130.096 273.614 GPRESSURE: 3605400 5.97787 -53.0331 134.688 -116.225 -72.9278 -40.6964 132.424 -105.004 265.603 PRESSAVG: 3605400 -18.4058 10.389 2.44409 10.389 16.6853 -11.3315 2.44415 -11.3314 6.00924 GPRESSAVG: 3605400 -19.1634 9.23277 2.0387 8.0765 16.804 -11.4809 1.94193 -10.3708 6.5773 TIMING: 3605400 CPU: 10849, 0.00303143/step Wall: 10849, 0.00303143/step, 1.17434 hours remaining, 209.710938 MB of memory in use. ENERGY: 3605400 739.5271 2046.4646 1967.8235 111.1716 -206205.7837 17927.4838 0.0000 0.0000 34140.0194 -149273.2937 298.1533 -183413.3132 -149166.4893 298.7902 33.7769 66.2177 556602.2182 1.4296 1.4060 PRESSURE: 3605600 -15.3856 41.4938 -163.224 41.4937 -119.857 164.973 -163.223 164.972 -175.281 GPRESSURE: 3605600 -18.1666 -43.2336 -82.1778 110.885 -81.2091 119.26 -162.488 153.98 -113.51 PRESSAVG: 3605600 29.699 -7.29751 -41.104 -7.2974 -13.8919 -18.5568 -41.1039 -18.5568 15.9694 GPRESSAVG: 3605600 29.2127 -6.56957 -43.2757 -6.49026 -12.9295 -18.0419 -39.6949 -18.7371 15.5052 TIMING: 3605600 CPU: 10849.6, 0.00300688/step Wall: 10849.6, 0.00300688/step, 1.16466 hours remaining, 209.710938 MB of memory in use. ENERGY: 3605600 751.9396 2114.9296 1933.0036 122.6368 -206059.3672 17677.6961 0.0000 0.0000 34213.7224 -149245.4391 298.7969 -183459.1614 -149148.6995 298.6549 -103.5078 -70.9621 558141.1323 10.5922 10.5961 PRESSURE: 3605800 -97.6948 193.809 -175.224 193.809 -90.6622 92.6268 -175.224 92.6252 126.81 GPRESSURE: 3605800 -71.0557 169.892 -158.557 183.526 -25.9662 38.445 -234.792 201.376 129.243 PRESSAVG: 3605800 31.3827 45.8853 18.9519 45.8854 -54.2025 56.7706 18.9518 56.7705 18.0185 GPRESSAVG: 3605800 32.687 45.8978 18.6 44.6943 -55.12 56.3399 18.6205 57.5334 17.5293 TIMING: 3605800 CPU: 10850.2, 0.00299657/step Wall: 10850.2, 0.00299657/step, 1.16051 hours remaining, 209.710938 MB of memory in use. ENERGY: 3605800 756.3665 2018.6309 1946.5187 120.7259 -206466.4201 18018.5559 0.0000 0.0000 34418.3421 -149187.2801 300.5839 -183605.6222 -149082.3679 299.9792 -20.5158 10.7403 557841.1016 -1.6004 -1.6346 PRESSURE: 3606000 -128.174 -91.8225 -78.5693 -91.8221 -37.2025 5.00059 -78.5696 5.00093 172.728 GPRESSURE: 3606000 -130.912 -105.44 -101.818 -70.6767 49.1588 52.5276 31.6796 27.3593 185.348 PRESSAVG: 3606000 48.1365 -10.6416 -5.45061 -10.6417 -13.3611 -58.8773 -5.45046 -58.8774 -38.3848 GPRESSAVG: 3606000 47.1822 -10.542 -2.88548 -9.21065 -13.8365 -58.9075 -6.11109 -60.9105 -37.228 TIMING: 3606000 CPU: 10850.8, 0.00300913/step Wall: 10850.8, 0.00300913/step, 1.1652 hours remaining, 209.710938 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: 3606000 753.5108 2148.4446 1944.8193 128.1389 -206475.2079 17955.4565 0.0000 0.0000 34137.6496 -149407.1882 298.1326 -183544.8378 -149311.8139 298.9389 2.4506 34.5316 556998.2478 -1.2031 -1.2941 PRESSURE: 3606200 -200.111 -74.0014 -115.44 -74.002 -54.6611 115.881 -115.439 115.881 125.797 GPRESSURE: 3606200 -167.215 -100.264 -114.554 -161.608 -10.192 94.101 -112.955 165.982 140.945 PRESSAVG: 3606200 21.3238 -64.421 -35.1017 -64.421 4.26191 -41.0199 -35.1017 -41.0199 -7.09718 GPRESSAVG: 3606200 22.6628 -66.0762 -33.2441 -64.8698 3.84508 -40.7982 -35.2047 -39.2818 -8.20551 TIMING: 3606200 CPU: 10851.4, 0.00301118/step Wall: 10851.4, 0.00301118/step, 1.16583 hours remaining, 209.710938 MB of memory in use. ENERGY: 3606200 716.6136 2077.0355 1944.7336 113.1555 -205835.4887 17665.1529 0.0000 0.0000 34222.1001 -149096.6975 298.8701 -183318.7977 -149005.5876 298.7162 -42.9919 -12.1539 558804.3220 6.1628 6.1008 PRESSURE: 3606400 -172.894 29.5896 -85.9385 29.5901 -238.527 -54.4966 -85.9391 -54.4991 -274.733 GPRESSURE: 3606400 -138.822 92.813 -152.91 -5.75049 -192.83 -88.2248 -55.8245 -25.5888 -251.983 PRESSAVG: 3606400 36.9062 2.07395 40.8415 2.07394 -49.7469 46.6527 40.8415 46.6526 9.76697 GPRESSAVG: 3606400 35.384 2.7418 37.9196 4.29077 -47.6652 47.3577 41.0179 44.7851 9.53789 TIMING: 3606400 CPU: 10852, 0.00299544/step Wall: 10852, 0.00299544/step, 1.15957 hours remaining, 209.710938 MB of memory in use. ENERGY: 3606400 780.6706 2050.8129 1937.9509 113.5753 -205398.8912 17346.4330 0.0000 0.0000 34043.0285 -149126.4200 297.3062 -183169.4485 -149037.0468 299.3503 -228.7179 -194.5453 559843.9409 -1.0246 -0.9144 PRESSURE: 3606600 -4.84509 -62.6183 41.2612 -62.6175 117.813 115.336 41.2603 115.335 381.597 GPRESSURE: 3606600 60.3767 -61.1469 -88.7093 -39.6038 126.333 205.084 30.923 38.0902 409.87 PRESSAVG: 3606600 32.7656 -2.68449 27.1198 -2.68445 20.1472 -5.71438 27.1199 -5.71452 -58.0485 GPRESSAVG: 3606600 33.4956 -5.13727 27.7405 -3.21179 19.2219 -2.44639 27.9527 -5.71473 -57.4076 TIMING: 3606600 CPU: 10852.6, 0.00301518/step Wall: 10852.6, 0.00301518/step, 1.16704 hours remaining, 209.710938 MB of memory in use. ENERGY: 3606600 736.5330 2010.6445 1974.8928 127.1059 -206238.2874 17927.2776 0.0000 0.0000 34289.3421 -149172.4914 299.4574 -183461.8335 -149073.0186 299.5995 164.8550 198.8599 557078.0027 -1.7119 -1.5634 PRESSURE: 3606800 -95.3274 -20.3677 116.288 -20.3683 101.874 -71.4024 116.291 -71.4004 -131.583 GPRESSURE: 3606800 -42.3945 39.5552 130.17 0.453769 149.356 20.4352 42.1902 -88.3815 -133.414 PRESSAVG: 3606800 18.8627 26.7478 11.0622 26.7478 -5.72009 52.7797 11.0622 52.7797 -10.7553 GPRESSAVG: 3606800 19.5609 29.1255 11.4118 25.9736 -5.20346 48.0418 9.96766 52.7323 -11.352 TIMING: 3606800 CPU: 10853.2, 0.00300727/step Wall: 10853.2, 0.00300727/step, 1.16381 hours remaining, 209.914062 MB of memory in use. ENERGY: 3606800 764.5280 2051.3480 1932.3187 132.2666 -206291.5486 17915.2389 0.0000 0.0000 34318.0768 -149177.7714 299.7083 -183495.8483 -149086.8384 299.6720 -41.6786 -8.8175 557932.8303 0.7958 1.0018 PRESSURE: 3607000 24.3995 -48.3794 -74.9148 -48.3784 110.191 56.094 -74.9158 56.0919 218.41 GPRESSURE: 3607000 77.6331 -31.7459 -0.727131 -44.6071 114.078 106.082 -1.6911 50.1991 248.431 PRESSAVG: 3607000 -21.971 -13.25 -43.8804 -13.25 19.7861 -31.9223 -43.8805 -31.9223 -28.2212 GPRESSAVG: 3607000 -21.6891 -13.5146 -45.2378 -12.8111 19.4453 -31.1103 -42.0367 -31.4879 -28.1973 TIMING: 3607000 CPU: 10853.8, 0.00304212/step Wall: 10853.8, 0.00304212/step, 1.17713 hours remaining, 209.914062 MB of memory in use. ENERGY: 3607000 671.3991 2072.9842 1930.1556 119.5967 -206243.4364 17901.1986 0.0000 0.0000 34303.8123 -149244.2899 299.5837 -183548.1022 -149148.2732 299.2016 117.6665 146.7140 557814.0825 -10.1354 -10.1470 PRESSURE: 3607200 -154.778 -120.21 95.1998 -120.21 -95.4391 108.582 95.1999 108.582 64.573 GPRESSURE: 3607200 -196.992 -119.47 111.681 -88.2895 -46.1599 0.87678 83.3289 120.568 152.082 PRESSAVG: 3607200 -62.1204 -28.8246 37.2568 -28.8247 59.2887 -9.93295 37.2568 -9.93282 -3.61696 GPRESSAVG: 3607200 -62.8945 -29.0963 39.1023 -29.3506 58.5319 -10.3699 33.6769 -8.63026 -3.06127 TIMING: 3607200 CPU: 10854.4, 0.00300088/step Wall: 10854.4, 0.00300088/step, 1.16101 hours remaining, 209.914062 MB of memory in use. ENERGY: 3607200 730.0375 2013.5393 1929.7354 111.9614 -206239.3750 17878.9822 0.0000 0.0000 34356.5615 -149218.5576 300.0444 -183575.1191 -149125.4542 299.1372 -61.8815 -30.3567 558633.5573 -2.1495 -2.4746 PRESSURE: 3607400 -10.8608 -139.713 -59.7148 -139.713 218.563 -43.584 -59.7143 -43.5863 90.4982 GPRESSURE: 3607400 42.8773 -221.541 -29.4658 -45.3095 238.337 -11.554 -68.6294 -33.9387 110.356 PRESSAVG: 3607400 -63.0094 -7.99466 36.7326 -7.99463 33.8844 -8.7102 36.7325 -8.71014 14.262 GPRESSAVG: 3607400 -62.793 -9.46967 35.8357 -6.83848 33.7664 -7.12352 38.9657 -10.0116 14.6567 TIMING: 3607400 CPU: 10855, 0.00297562/step Wall: 10855, 0.00297562/step, 1.15107 hours remaining, 209.914062 MB of memory in use. ENERGY: 3607400 751.0024 2100.9184 1919.7412 109.1191 -206201.5682 17859.3714 0.0000 0.0000 34242.7796 -149218.6361 299.0507 -183461.4158 -149123.4445 298.9151 99.4001 130.5233 557110.3410 -4.9543 -4.7900 PRESSURE: 3607600 -38.4052 228.67 -46.8638 228.669 112.167 -36.6158 -46.8636 -36.616 310.729 GPRESSURE: 3607600 -7.28439 144.303 23.3236 260.955 156.956 -50.0342 -18.5211 -4.29282 330.876 PRESSAVG: 3607600 -3.80048 -16.0486 9.0652 -16.0485 -14.185 -11.3169 9.06512 -11.3169 3.78154 GPRESSAVG: 3607600 -2.88648 -13.194 7.39185 -17.1829 -15.4711 -10.9349 9.59249 -11.6207 3.50018 TIMING: 3607600 CPU: 10855.6, 0.00300285/step Wall: 10855.6, 0.00300285/step, 1.16144 hours remaining, 209.914062 MB of memory in use. ENERGY: 3607600 762.3922 2107.3274 1926.4836 115.9156 -206620.7153 18022.9903 0.0000 0.0000 34298.5924 -149387.0139 299.5381 -183685.6062 -149295.0699 298.6890 128.1638 160.1827 555353.3359 -4.7346 -4.9525 PRESSURE: 3607800 -327.294 -1.9294 63.4159 -1.92881 -106.382 116.486 63.416 116.486 -61.7147 GPRESSURE: 3607800 -288.279 65.4245 40.9831 5.10349 -120.58 81.0707 117.671 119.299 13.2088 PRESSAVG: 3607800 -41.3012 -23.822 -15.3139 -23.822 15.3728 32.3979 -15.3139 32.3977 60.3699 GPRESSAVG: 3607800 -42.9458 -24.6598 -14.4314 -25.1195 17.6835 31.7734 -15.2088 30.9796 59.7863 TIMING: 3607800 CPU: 10856.2, 0.00297757/step Wall: 10856.2, 0.00297757/step, 1.15149 hours remaining, 209.914062 MB of memory in use. ENERGY: 3607800 749.3426 2077.6882 1925.7185 112.0401 -206058.6587 17627.5027 0.0000 0.0000 34202.4196 -149363.9470 298.6982 -183566.3667 -149270.2270 298.4180 -165.1302 -131.8833 557959.0807 11.4805 11.5080 PRESSURE: 3608000 -262.021 -35.4558 80.3266 -35.4566 109.531 -105.318 80.3249 -105.32 230.122 GPRESSURE: 3608000 -182.571 0.838639 94.068 51.2955 148.844 -65.6698 115.072 -177.793 213.986 PRESSAVG: 3608000 -23.4815 17.7287 41.4884 17.7286 36.0797 2.01068 41.4883 2.01066 -1.62191 GPRESSAVG: 3608000 -23.7605 15.9196 41.7434 19.8411 35.2912 0.686935 41.931 4.26411 -0.105116 TIMING: 3608000 CPU: 10856.8, 0.0029804/step Wall: 10856.8, 0.0029804/step, 1.15242 hours remaining, 209.914062 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: 3608000 733.5218 2042.2495 1942.0260 123.0734 -206547.1206 17975.3806 0.0000 0.0000 34367.9080 -149362.9614 300.1435 -183730.8694 -149267.6743 299.0028 25.8770 60.0864 557076.8752 3.6588 3.8085 PRESSURE: 3608200 -106.933 -39.486 -93.2792 -39.4865 82.5148 2.51913 -93.2789 2.51989 -174.802 GPRESSURE: 3608200 -40.4898 -59.0241 -61.0019 -41.4437 117.977 40.353 -160.774 14.6691 -171.619 PRESSAVG: 3608200 3.05479 45.187 3.61454 45.187 22.8187 6.00708 3.61458 6.0071 -39.4844 GPRESSAVG: 3608200 3.69442 47.5886 3.78721 44.9212 22.2922 7.32175 4.11836 6.30915 -39.8209 TIMING: 3608200 CPU: 10857.4, 0.00294934/step Wall: 10857.4, 0.00294934/step, 1.14025 hours remaining, 209.914062 MB of memory in use. ENERGY: 3608200 717.3491 2099.3288 1974.5411 106.8901 -205877.9161 17557.8947 0.0000 0.0000 34159.2672 -149262.6451 298.3214 -183421.9123 -149167.3720 298.8427 -66.4064 -31.3775 557695.5521 -4.5370 -4.6114 LDB: ============= START OF LOAD BALANCING ============== 10860.9 LDB: ============== END OF LOAD BALANCING =============== 10860.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10860.9 LDB: ============= START OF LOAD BALANCING ============== 10861.2 LDB: Largest compute 4802 load 0.029573 is 25.0% of average load 0.118260 LDB: Average compute 0.001720 is 1.5% of average load 0.118260 LDB: TIME 10861.2 LOAD: AVG 0.11826 MAX 0.21072 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.996 MB LDB: TIME 10861.2 LOAD: AVG 0.11826 MAX 0.21072 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.996 MB LDB: TIME 10861.2 LOAD: AVG 0.11826 MAX 0.21072 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.996 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10861.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10861.2 PRESSURE: 3608400 -219.229 -118.772 -67.9218 -118.772 29.1866 -95.5263 -67.9206 -95.5265 -18.0985 GPRESSURE: 3608400 -129.515 -72.2146 -47.7739 -160.381 94.4842 -90.8494 -91.7692 -146.517 -72.0194 PRESSAVG: 3608400 -55.582 29.4279 14.4628 29.4278 38.8645 -10.6806 14.4628 -10.6805 13.0549 GPRESSAVG: 3608400 -54.6589 27.9632 13.5526 28.554 38.7838 -10.4065 13.5315 -13.9549 12.1194 TIMING: 3608400 CPU: 10858, 0.0030614/step Wall: 10858, 0.0030614/step, 1.1834 hours remaining, 209.328125 MB of memory in use. ENERGY: 3608400 751.5977 2051.3791 1973.9975 114.8464 -205986.5462 17685.1796 0.0000 0.0000 34276.4633 -149133.0827 299.3449 -183409.5460 -149040.7902 299.4309 -69.3804 -35.6834 556962.4974 -1.2209 -1.2519 PRESSURE: 3608600 -84.6911 153.862 92.9307 153.862 256.356 -47.7615 92.9294 -47.762 242.38 GPRESSURE: 3608600 -54.8932 189.616 126.92 103.079 316.028 -48.1384 38.8036 -55.4836 242.224 PRESSAVG: 3608600 -0.835407 -27.0204 6.45801 -27.0204 30.3839 61.7306 6.45807 61.7306 -16.3195 GPRESSAVG: 3608600 -1.93064 -27.9758 7.71397 -26.349 30.3486 60.0376 6.83241 64.8709 -15.6327 TIMING: 3608600 CPU: 10858.6, 0.00299322/step Wall: 10858.6, 0.00299322/step, 1.15688 hours remaining, 209.472656 MB of memory in use. ENERGY: 3608600 739.9276 2068.6176 1978.4849 113.5008 -206293.8938 18133.5025 0.0000 0.0000 34209.6361 -149050.2243 298.7613 -183259.8604 -148964.0720 299.4351 138.0149 167.7864 558150.8680 4.4096 4.2617 PRESSURE: 3608800 139.767 -81.0486 -144.357 -81.0496 258.98 4.29858 -144.357 4.29938 81.8442 GPRESSURE: 3608800 165.532 -37.5024 -124.281 9.16474 279.756 69.8936 -184.211 -64.1956 142.75 PRESSAVG: 3608800 -58.8955 -58.6089 10.713 -58.6089 39.2915 23.5488 10.713 23.5487 29.8001 GPRESSAVG: 3608800 -59.3191 -56.733 9.91888 -60.7958 39.489 24.9397 10.452 21.4724 30.1367 TIMING: 3608800 CPU: 10859.2, 0.0029791/step Wall: 10859.2, 0.0029791/step, 1.15125 hours remaining, 209.472656 MB of memory in use. ENERGY: 3608800 683.7091 2075.9780 1912.2652 117.7069 -206424.5618 17925.7337 0.0000 0.0000 34661.1661 -149048.0028 302.7046 -183709.1690 -148952.3957 299.7822 160.1971 196.0127 556584.4801 3.3987 3.4355 PRESSURE: 3609000 -320.757 62.2254 -25.7275 62.2244 -50.1427 5.58216 -25.728 5.58344 -60.7471 GPRESSURE: 3609000 -286.147 93.0111 -54.8305 77.3466 -62.3611 71.4036 -28.9436 -54.6877 19.7439 PRESSAVG: 3609000 -25.2165 43.3011 53.8297 43.3011 -2.54167 23.9837 53.8297 23.9837 10.6703 GPRESSAVG: 3609000 -24.2339 43.0693 53.9898 45.2767 -3.68992 21.7891 53.5709 22.552 10.7227 TIMING: 3609000 CPU: 10859.8, 0.00298791/step Wall: 10859.8, 0.00298791/step, 1.15449 hours remaining, 209.472656 MB of memory in use. ENERGY: 3609000 775.9069 2003.0620 1953.2484 116.8481 -205663.4319 17550.6368 0.0000 0.0000 34144.2195 -149119.5102 298.1900 -183263.7297 -149025.3942 299.3216 -143.8824 -109.5882 558264.0856 -5.6960 -5.7337 PRESSURE: 3609200 -226.048 -133.384 199.244 -133.384 -27.1354 -123.343 199.244 -123.345 -246.138 GPRESSURE: 3609200 -150.741 -144.049 260.401 -132.063 27.6714 -129.203 93.3075 -101.105 -276.67 PRESSAVG: 3609200 -7.99143 32.9082 73.3001 32.9081 -17.3356 -18.7472 73.3001 -18.7472 46.8412 GPRESSAVG: 3609200 -7.5525 34.0583 73.7649 31.9639 -17.0038 -16.8799 71.9549 -17.6097 46.2938 TIMING: 3609200 CPU: 10860.4, 0.00297737/step Wall: 10860.4, 0.00297737/step, 1.15026 hours remaining, 209.472656 MB of memory in use. ENERGY: 3609200 706.0361 2054.6486 1950.5446 101.5943 -205583.9813 17512.9686 0.0000 0.0000 34222.1621 -149036.0268 298.8707 -183258.1889 -148945.0875 299.3211 -166.4404 -133.2466 559289.0809 7.1714 7.2458 PRESSURE: 3609400 -50.3804 -16.8607 6.60786 -16.8605 210.617 -121.854 6.60791 -121.856 -109.485 GPRESSURE: 3609400 -15.6842 -65.5102 -10.7603 32.7914 204.148 -77.6105 50.8213 -70.3303 -31.4008 PRESSAVG: 3609400 -37.1164 -41.4683 39.3647 -41.4683 7.50012 -55.6976 39.3646 -55.6975 -5.22582 GPRESSAVG: 3609400 -37.3872 -43.3359 38.8117 -41.8437 7.79276 -58.3677 40.4888 -53.6685 -5.40095 TIMING: 3609400 CPU: 10861, 0.00300416/step Wall: 10861, 0.00300416/step, 1.16044 hours remaining, 209.472656 MB of memory in use. ENERGY: 3609400 735.2722 2079.1782 1941.2386 125.5519 -206020.8893 17855.4346 0.0000 0.0000 34292.6234 -148991.5903 299.4860 -183284.2138 -148886.7610 298.9302 16.9171 52.3545 558744.3591 -11.6140 -11.6651 PRESSURE: 3609600 -199.079 -61.1517 46.3468 -61.1511 -213.641 -47.4528 46.3465 -47.4515 -80.9043 GPRESSURE: 3609600 -154.089 -59.7377 124.382 -63.6642 -140.083 -93.8826 -77.5769 35.2033 -91.1694 PRESSAVG: 3609600 -34.2598 48.9399 35.9675 48.9399 -69.6177 -9.02012 35.9674 -9.02006 30.4811 GPRESSAVG: 3609600 -34.4266 51.4467 34.1775 48.8349 -68.3637 -8.81054 36.3177 -10.6952 29.7085 TIMING: 3609600 CPU: 10861.6, 0.00299061/step Wall: 10861.6, 0.00299061/step, 1.15504 hours remaining, 209.472656 MB of memory in use. ENERGY: 3609600 758.0526 2062.2972 1920.6672 121.0840 -205655.8351 17431.2237 0.0000 0.0000 34477.0269 -148885.4834 301.0965 -183362.5103 -148788.9087 299.8974 -164.5415 -128.4470 557599.0868 -24.4655 -24.3606 PRESSURE: 3609800 6.09597 -96.796 31.2891 -96.7948 -151.545 -161.328 31.2897 -161.33 95.978 GPRESSURE: 3609800 19.7016 -74.8999 -0.806413 -154.798 -110.863 -109.429 32.2024 -228.281 140.606 PRESSAVG: 3609800 -41.239 10.7001 9.38137 10.7001 -32.4138 -17.46 9.38152 -17.4601 50.8386 GPRESSAVG: 3609800 -41.2872 8.07987 9.3924 11.6368 -32.8167 -15.6771 9.17039 -17.1295 51.2125 TIMING: 3609800 CPU: 10862.2, 0.00298353/step Wall: 10862.2, 0.00298353/step, 1.15214 hours remaining, 209.472656 MB of memory in use. ENERGY: 3609800 762.3957 2095.9305 1916.9173 102.8404 -205364.0278 17606.0650 0.0000 0.0000 34196.4350 -148683.4439 298.6460 -182879.8789 -148586.5252 299.9940 -16.4904 16.4816 558252.6346 -7.6047 -7.6305 PRESSURE: 3610000 -228.473 7.67043 -71.4317 7.66983 -140.513 -36.3696 -71.4319 -36.3688 -198.282 GPRESSURE: 3610000 -153.136 -24.8932 -84.8053 -1.29977 -156.213 -57.2214 -75.9453 25.7451 -158.378 PRESSAVG: 3610000 -43.7671 -41.9273 53.0345 -41.9274 -5.12833 -17.8338 53.0344 -17.8337 77.195 GPRESSAVG: 3610000 -43.6574 -43.2561 52.6254 -42.2508 -5.42952 -14.7585 52.3007 -19.4238 77.0909 TIMING: 3610000 CPU: 10862.8, 0.00296185/step Wall: 10862.8, 0.00296185/step, 1.1436 hours remaining, 209.472656 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: 3610000 769.0568 2096.5118 1947.7759 116.9653 -205325.9479 17312.1987 0.0000 0.0000 34394.3702 -148689.0692 300.3746 -183083.4395 -148599.1779 301.0735 -189.0896 -155.9092 557006.1799 9.4332 9.3347 PRESSURE: 3610200 130.651 10.9838 48.7182 10.9832 -286.107 -208.647 48.7192 -208.647 29.0207 GPRESSURE: 3610200 187.469 -21.0185 -15.4979 16.5912 -223.59 -238.802 135.93 -157.609 14.6183 PRESSAVG: 3610200 26.0258 -19.534 16.0474 -19.534 -61.9014 -44.9687 16.0473 -44.9687 42.3043 GPRESSAVG: 3610200 26.3472 -18.3655 16.3352 -19.4992 -62.1967 -48.1901 16.3762 -43.5725 41.8187 TIMING: 3610200 CPU: 10863.4, 0.00297345/step Wall: 10863.4, 0.00297345/step, 1.14792 hours remaining, 209.472656 MB of memory in use. ENERGY: 3610200 744.0220 2110.8226 1944.7371 110.7665 -205280.0845 17435.1925 0.0000 0.0000 34342.0284 -148592.5154 299.9175 -182934.5438 -148485.4369 301.0185 -42.1452 -7.1676 556300.0665 2.1429 1.9898 PRESSURE: 3610400 -192.026 -96.8679 -193.061 -96.8667 -24.6328 -66.9347 -193.063 -66.9343 70.5061 GPRESSURE: 3610400 -178.756 -119.764 -133.803 -110.222 49.8031 -19.1309 -263.451 -65.9361 75.0263 PRESSAVG: 3610400 -47.4999 9.73843 -18.059 9.73839 -29.3373 -36.7092 -18.059 -36.7092 36.1037 GPRESSAVG: 3610400 -48.266 11.873 -16.6989 11.1801 -28.5628 -35.174 -18.7812 -37.9615 35.9261 TIMING: 3610400 CPU: 10864, 0.00300276/step Wall: 10864, 0.00300276/step, 1.15906 hours remaining, 209.472656 MB of memory in use. ENERGY: 3610400 734.7226 2101.8570 1930.7961 111.1055 -205272.6014 17422.3361 0.0000 0.0000 34357.7232 -148614.0608 300.0545 -182971.7840 -148520.1043 301.0376 -48.7176 -17.9755 557222.2330 -13.5778 -13.6343 PRESSURE: 3610600 -7.21738 36.3257 -213.129 36.3247 -187.324 119.073 -213.131 119.074 -121.342 GPRESSURE: 3610600 59.0754 55.0939 -240.699 -92.7076 -183.849 72.7964 -269.301 167.064 -106.66 PRESSAVG: 3610600 73.8139 6.04705 -63.1626 6.04711 -16.2704 26.4632 -63.1626 26.4633 -27.6146 GPRESSAVG: 3610600 73.7681 5.00146 -63.9997 4.45621 -17.5011 26.6423 -62.5568 26.4589 -26.1184 TIMING: 3610600 CPU: 10864.6, 0.0029854/step Wall: 10864.6, 0.0029854/step, 1.1522 hours remaining, 209.472656 MB of memory in use. ENERGY: 3610600 765.1342 2110.6122 1977.9256 114.0054 -205468.3889 17569.0354 0.0000 0.0000 34370.0825 -148561.5935 300.1625 -182931.6761 -148467.3553 300.7740 -105.2943 -77.1447 557157.5214 9.9763 10.0496 PRESSURE: 3610800 147.63 67.7472 51.3542 67.7475 -125.76 -206.309 51.3542 -206.309 60.2439 GPRESSURE: 3610800 157.131 -1.9832 -0.608656 148.379 -85.5663 -195.84 60.9117 -226.042 95.8394 PRESSAVG: 3610800 -6.22741 -7.41865 11.5426 -7.41862 -55.6604 -33.2903 11.5425 -33.2901 45.6649 GPRESSAVG: 3610800 -6.44243 -8.30384 12.6337 -5.69693 -55.0478 -34.0143 12.3695 -34.575 44.5227 TIMING: 3610800 CPU: 10865.2, 0.00298195/step Wall: 10865.2, 0.00298195/step, 1.1507 hours remaining, 209.472656 MB of memory in use. ENERGY: 3610800 736.7457 2087.4505 1943.2363 125.1957 -205582.8973 17833.3662 0.0000 0.0000 34443.9573 -148412.9455 300.8076 -182856.9028 -148314.1290 301.7001 27.3714 55.8015 558236.5303 -5.4076 -5.6558 PRESSURE: 3611000 -63.5509 51.6475 113.399 51.6469 93.0667 -60.2472 113.4 -60.2464 105.723 GPRESSURE: 3611000 -21.4936 115.568 143.614 -35.6418 73.3823 4.09607 111.317 -82.182 174.37 PRESSAVG: 3611000 -22.6536 52.7541 -61.2157 52.7541 -12.2623 20.7099 -61.2157 20.7099 35.6685 GPRESSAVG: 3611000 -23.0119 53.0074 -61.8514 52.1201 -13.1116 21.4053 -60.6776 20.4884 37.0036 TIMING: 3611000 CPU: 10865.8, 0.00301154/step Wall: 10865.8, 0.00301154/step, 1.16195 hours remaining, 209.472656 MB of memory in use. ENERGY: 3611000 781.1562 2063.0755 1946.4127 113.9260 -205907.2019 17847.9615 0.0000 0.0000 34383.1903 -148771.4798 300.2770 -183154.6701 -148675.5076 300.7293 45.0795 75.4196 558392.2324 0.2508 0.2934 PRESSURE: 3611200 -122.617 9.17763 -145.199 9.17798 -120.722 114.891 -145.199 114.89 -0.79953 GPRESSURE: 3611200 -128.36 9.70369 -67.5867 -14.3642 -74.9926 149.401 -156.805 92.8167 56.1199 PRESSAVG: 3611200 50.519 11.5906 0.778171 11.5906 -22.3328 10.2027 0.778314 10.2028 -13.7418 GPRESSAVG: 3611200 51.219 12.338 -0.23514 10.6145 -22.6898 10.5662 1.82127 10.9796 -14.2032 TIMING: 3611200 CPU: 10866.4, 0.00298055/step Wall: 10866.4, 0.00298055/step, 1.14983 hours remaining, 209.472656 MB of memory in use. ENERGY: 3611200 679.3171 2059.8520 1961.6209 115.2777 -205600.9830 17633.7506 0.0000 0.0000 34328.4007 -148822.7639 299.7985 -183151.1647 -148718.2420 299.8098 -81.3794 -49.0776 558283.4117 4.8148 4.7753 PRESSURE: 3611400 83.8411 85.0936 -49.0774 85.0936 80.8342 -44.6959 -49.0772 -44.6958 211.22 GPRESSURE: 3611400 132.057 98.6139 -110.975 -30.6383 98.4835 -42.6064 5.5315 -73.6263 245.773 PRESSAVG: 3611400 -66.4224 31.2116 -19.0064 31.2116 -12.2362 54.3162 -19.0064 54.3163 93.7954 GPRESSAVG: 3611400 -67.5843 31.5688 -21.3413 32.5512 -11.0659 53.1561 -19.9037 53.3397 93.6818 TIMING: 3611400 CPU: 10867, 0.00296766/step Wall: 10867, 0.00296766/step, 1.14469 hours remaining, 209.472656 MB of memory in use. ENERGY: 3611400 769.0316 2036.0536 1958.8372 106.4699 -206269.3190 17925.2629 0.0000 0.0000 34348.6067 -149125.0572 299.9749 -183473.6639 -149030.7464 299.9287 125.2985 158.7715 557253.0402 5.0456 5.0105 PRESSURE: 3611600 -377.73 13.6679 33.8175 13.6667 -236.067 -92.6114 33.8172 -92.6107 -47.0968 GPRESSURE: 3611600 -303.954 19.2548 1.46093 -17.2293 -223.553 -78.4746 80.5118 -43.333 -32.9982 PRESSAVG: 3611600 -33.1977 32.7573 -3.02588 32.7573 -13.7559 -8.09217 -3.0258 -8.09219 33.0531 GPRESSAVG: 3611600 -32.1689 33.1069 0.176323 31.8531 -14.2139 -10.2691 -3.58612 -7.34897 32.7196 TIMING: 3611600 CPU: 10867.6, 0.00297113/step Wall: 10867.6, 0.00297113/step, 1.14587 hours remaining, 209.472656 MB of memory in use. ENERGY: 3611600 715.9969 2120.5332 1959.0423 121.5337 -205572.5120 17499.6452 0.0000 0.0000 34028.0565 -149127.7042 297.1755 -183155.7606 -149044.2396 299.3202 -220.2978 -186.8353 559750.9429 -4.6335 -4.5544 PRESSURE: 3611800 -50.0393 77.1356 87.5773 77.1352 -122.441 80.9662 87.5791 80.9668 -95.0546 GPRESSURE: 3611800 -30.6765 -38.8621 44.6202 104.575 -33.239 101.868 132.099 131.156 -107.174 PRESSAVG: 3611800 -60.9866 35.828 16.3147 35.8279 -17.8871 36.3922 16.3147 36.392 65.5288 GPRESSAVG: 3611800 -61.5275 33.577 15.1143 36.4401 -17.7824 38.9966 17.5395 36.8557 65.8685 TIMING: 3611800 CPU: 10868.2, 0.0029797/step Wall: 10868.2, 0.0029797/step, 1.14901 hours remaining, 209.472656 MB of memory in use. ENERGY: 3611800 714.1353 2052.5590 1940.2680 112.7440 -205851.0943 17615.2051 0.0000 0.0000 34384.8847 -149031.2982 300.2917 -183416.1829 -148941.2361 298.7895 -89.1782 -57.0300 557898.5873 -4.4483 -4.4805 PRESSURE: 3612000 -65.6841 99.6803 -165.314 99.6799 171.666 51.0552 -165.315 51.0532 30.2765 GPRESSURE: 3612000 -58.9219 98.4253 -166.353 112.038 227.948 83.1963 -86.3225 76.9591 55.0401 PRESSAVG: 3612000 6.03222 15.275 3.35713 15.2749 33.7768 5.60744 3.35707 5.60732 -24.7797 GPRESSAVG: 3612000 7.18243 17.6351 4.31811 13.2749 32.9492 5.37512 1.40495 5.73845 -25.2491 TIMING: 3612000 CPU: 10868.8, 0.0030071/step Wall: 10868.8, 0.0030071/step, 1.1594 hours remaining, 209.472656 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: 3612000 766.2140 2045.3956 1943.2996 119.2324 -206139.4652 17921.5128 0.0000 0.0000 34247.8244 -149095.9864 299.0948 -183343.8108 -148990.6770 300.0923 45.4194 74.6888 558548.7019 5.0098 4.9609 PRESSURE: 3612200 -189.398 -105.41 206.023 -105.41 -129.365 46.2365 206.022 46.2367 -37.4012 GPRESSURE: 3612200 -134.579 -134.746 236.553 -126.01 -136.665 -4.97597 82.8061 67.601 7.13796 PRESSAVG: 3612200 -42.9563 -36.9211 0.379117 -36.921 -6.59849 26.052 0.379124 26.0521 24.5349 GPRESSAVG: 3612200 -43.0631 -36.3617 1.27111 -37.7942 -5.86508 24.772 1.8192 26.7753 24.004 TIMING: 3612200 CPU: 10869.4, 0.00297366/step Wall: 10869.4, 0.00297366/step, 1.14635 hours remaining, 209.472656 MB of memory in use. ENERGY: 3612200 755.2847 2044.2209 1964.0163 106.4303 -205790.5663 17527.4132 0.0000 0.0000 34200.3517 -149192.8493 298.6802 -183393.2010 -149098.9648 298.5363 -118.7213 -88.0355 558465.9451 -8.3400 -8.3081 LDB: ============= START OF LOAD BALANCING ============== 10872.9 LDB: ============== END OF LOAD BALANCING =============== 10872.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10872.9 LDB: ============= START OF LOAD BALANCING ============== 10873.2 LDB: Largest compute 4773 load 0.030039 is 25.4% of average load 0.118199 LDB: Average compute 0.001734 is 1.5% of average load 0.118199 LDB: TIME 10873.2 LOAD: AVG 0.118199 MAX 0.204852 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.918 MB LDB: TIME 10873.2 LOAD: AVG 0.118199 MAX 0.204852 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.121 MB LDB: TIME 10873.2 LOAD: AVG 0.118199 MAX 0.204852 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.121 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10873.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10873.2 PRESSURE: 3612400 -9.84028 -13.6293 71.4956 -13.6291 47.2019 103.942 71.4938 103.942 -96.3824 GPRESSURE: 3612400 0.712246 -13.4728 65.8257 -14.0463 87.6841 11.7864 69.2361 163.053 -56.2381 PRESSAVG: 3612400 23.0162 -22.0802 20.7365 -22.0802 6.36296 16.2555 20.7365 16.2555 -20.761 GPRESSAVG: 3612400 22.8982 -22.7514 17.6009 -19.9247 5.61374 16.3367 20.336 16.6827 -20.2242 TIMING: 3612400 CPU: 10870, 0.00303434/step Wall: 10870, 0.00303434/step, 1.16957 hours remaining, 210.742188 MB of memory in use. ENERGY: 3612400 747.3474 2100.7792 1954.4992 116.8312 -206150.7802 17749.4121 0.0000 0.0000 34250.3224 -149231.5886 299.1166 -183481.9110 -149142.9235 298.8973 -19.6736 10.7194 558770.0320 2.8727 2.7626 PRESSURE: 3612600 87.7638 -21.0818 16.607 -21.0811 59.8178 48.2597 16.6061 48.2604 -7.52178 GPRESSURE: 3612600 151.753 -46.2333 -27.0237 111.658 88.8089 35.5647 -71.2089 17.2457 0.844748 PRESSAVG: 3612600 -49.1642 -21.5337 26.5158 -21.5336 0.881153 9.69741 26.5158 9.69748 13.8545 GPRESSAVG: 3612600 -49.1387 -21.5989 26.3964 -22.2363 0.587717 10.9219 27.647 7.3453 14.356 TIMING: 3612600 CPU: 10870.6, 0.00296843/step Wall: 10870.6, 0.00296843/step, 1.144 hours remaining, 210.742188 MB of memory in use. ENERGY: 3612600 732.3704 2093.7771 1929.2883 111.1706 -206414.6395 17886.6881 0.0000 0.0000 34349.9351 -149311.4099 299.9865 -183661.3451 -149212.5470 299.1061 46.6866 80.4689 558108.4780 -11.4762 -11.3983 PRESSURE: 3612800 -184.002 -176.033 103.811 -176.034 -272.858 -78.3804 103.811 -78.3823 -474.869 GPRESSURE: 3612800 -172.131 -213.622 94.7433 -139.56 -223.23 -123.388 46.6287 8.97938 -441 PRESSAVG: 3612800 13.7491 -23.4644 35.356 -23.4644 24.3835 6.79006 35.3559 6.79006 -33.934 GPRESSAVG: 3612800 12.8392 -24.9812 36.3266 -22.4316 26.6407 6.98546 34.0675 8.13145 -35.3818 TIMING: 3612800 CPU: 10871.2, 0.0030084/step Wall: 10871.2, 0.0030084/step, 1.15924 hours remaining, 210.742188 MB of memory in use. ENERGY: 3612800 768.7870 2078.1785 1974.8427 114.2873 -205895.5706 17328.0151 0.0000 0.0000 34198.0195 -149433.4404 298.6598 -183631.4599 -149338.9048 298.3104 -310.5762 -278.7870 557030.1284 1.3995 1.3660 PRESSURE: 3613000 136.886 -109.663 115.085 -109.663 212.175 79.7984 115.085 79.7992 -288.805 GPRESSURE: 3613000 199.664 -138.169 121.865 -162.198 209.251 85.435 181.736 43.9472 -259.936 PRESSAVG: 3613000 42.3549 -19.1596 9.95811 -19.1596 -8.54341 34.3567 9.95812 34.3568 -13.1852 GPRESSAVG: 3613000 43.7149 -16.3928 10.6253 -21.3005 -11.2027 33.5096 9.45711 33.0598 -12.4564 TIMING: 3613000 CPU: 10871.8, 0.003016/step Wall: 10871.8, 0.003016/step, 1.162 hours remaining, 210.742188 MB of memory in use. ENERGY: 3613000 720.1262 2082.5941 1947.1807 113.6906 -206096.7729 17699.5987 0.0000 0.0000 34208.5307 -149325.0519 298.7516 -183533.5826 -149229.2153 298.7349 20.0852 49.6598 555480.2955 6.8754 6.6853 PRESSURE: 3613200 67.9888 -21.1825 57.9691 -21.1843 -133.89 -55.7961 57.9693 -55.797 -108.826 GPRESSURE: 3613200 42.2419 -12.8935 72.5226 19.7192 -92.6882 -53.2388 6.2276 -4.25857 -29.4667 PRESSAVG: 3613200 45.1524 -30.0845 -4.1726 -30.0845 5.29108 38.9632 -4.17256 38.9632 -10.4039 GPRESSAVG: 3613200 44.4953 -33.2137 -5.38902 -28.0574 6.21715 38.7193 -2.52318 40.0633 -10.3724 TIMING: 3613200 CPU: 10872.3, 0.00296406/step Wall: 10872.3, 0.00296406/step, 1.14182 hours remaining, 210.742188 MB of memory in use. ENERGY: 3613200 752.0554 2173.5219 1900.5199 111.5771 -206315.3516 17804.6252 0.0000 0.0000 34154.5253 -149418.5268 298.2800 -183573.0522 -149328.9313 298.4878 -58.2425 -26.6377 557848.4282 13.3465 13.4467 PRESSURE: 3613400 -143.943 -53.1342 -128.772 -53.1335 -20.7169 127.384 -128.771 127.384 -261.822 GPRESSURE: 3613400 -121.628 -23.0248 -19.9684 -59.3508 22.0592 158.299 -147.781 136.516 -220.326 PRESSAVG: 3613400 19.0157 2.86504 -16.8745 2.86507 -89.9019 34.174 -16.8745 34.1739 11.4509 GPRESSAVG: 3613400 18.2166 5.30566 -17.1956 -0.694696 -89.4238 35.5384 -16.0928 32.8914 11.5296 TIMING: 3613400 CPU: 10873, 0.00301966/step Wall: 10873, 0.00301966/step, 1.16307 hours remaining, 210.742188 MB of memory in use. ENERGY: 3613400 762.6452 2103.8941 1931.1457 111.6556 -206204.6659 17634.9327 0.0000 0.0000 34312.2207 -149348.1719 299.6572 -183660.3927 -149255.4009 298.7966 -142.1606 -106.6316 557154.7279 -19.8118 -19.8925 PRESSURE: 3613600 179.582 64.8312 164.03 64.8325 260.749 260.378 164.032 260.378 49.0154 GPRESSURE: 3613600 206.404 30.3199 157.884 -21.0975 275.883 222.926 87.2559 256.655 111.85 PRESSAVG: 3613600 45.684 -42.4529 -0.282945 -42.453 -108.7 29.0907 -0.282916 29.0906 18.5487 GPRESSAVG: 3613600 45.5198 -41.9951 0.0378243 -40.7931 -108.595 29.9991 0.125828 27.9318 19.0672 TIMING: 3613600 CPU: 10873.6, 0.00303081/step Wall: 10873.6, 0.00303081/step, 1.1672 hours remaining, 210.742188 MB of memory in use. ENERGY: 3613600 723.2472 2084.9792 1974.8825 104.6371 -206694.8324 18155.3595 0.0000 0.0000 34220.3713 -149431.3556 298.8550 -183651.7269 -149336.8365 298.3982 163.1153 198.0457 555732.4620 -14.8225 -14.6694 PRESSURE: 3613800 291.68 29.7428 -45.9025 29.7422 -86.1801 28.4171 -45.9032 28.4183 41.837 GPRESSURE: 3613800 291.158 36.4496 -52.6191 30.2023 -9.92884 -15.8782 -35.0095 -8.87863 53.6116 PRESSAVG: 3613800 42.2207 43.9828 59.6211 43.9828 -8.59222 -36.5773 59.6212 -36.5774 2.6072 GPRESSAVG: 3613800 42.0031 42.3794 58.2737 45.8516 -7.68576 -38.3713 59.6646 -34.3896 1.6034 TIMING: 3613800 CPU: 10874.2, 0.00299928/step Wall: 10874.2, 0.00299928/step, 1.15489 hours remaining, 210.742188 MB of memory in use. ENERGY: 3613800 725.1763 2094.1974 1951.5052 112.2563 -206613.7151 17981.6629 0.0000 0.0000 34292.2814 -149456.6356 299.4830 -183748.9171 -149359.2679 298.6834 82.4455 111.6137 557247.8828 12.0786 11.9736 PRESSURE: 3614000 -16.576 133.225 84.0586 133.225 131.745 -12.7312 84.0582 -12.7322 -40.5797 GPRESSURE: 3614000 1.91479 161.097 69.7766 75.0455 165.819 16.5168 86.9425 -36.5682 3.69652 PRESSAVG: 3614000 47.3542 39.2398 30.5174 39.2398 -2.39066 -18.1423 30.5175 -18.1423 -34.9978 GPRESSAVG: 3614000 47.57 41.8279 34.0055 35.4712 -2.88245 -18.2028 28.2358 -17.8186 -34.3871 TIMING: 3614000 CPU: 10874.8, 0.00302001/step Wall: 10874.8, 0.00302001/step, 1.1627 hours remaining, 210.742188 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: 3614000 768.6394 2031.7000 1943.4505 118.6158 -206254.8559 17949.8847 0.0000 0.0000 34179.6989 -149262.8665 298.4998 -183442.5654 -149161.6916 299.1392 24.8631 57.1433 557560.9357 3.3219 3.4335 PRESSURE: 3614200 -137.285 -8.00907 -27.0453 -8.00899 77.5331 -16.2745 -27.0446 -16.2746 -56.6959 GPRESSURE: 3614200 -119.316 -41.7621 25.6355 15.3687 148.844 -27.5619 -8.9454 -68.0399 -48.5419 PRESSAVG: 3614200 -3.49311 78.8842 -9.33688 78.8842 14.5099 4.37939 -9.33695 4.37933 0.660189 GPRESSAVG: 3614200 -3.04692 76.1544 -9.57991 81.926 13.8198 5.31109 -9.23781 4.24965 0.665147 TIMING: 3614200 CPU: 10875.4, 0.00301809/step Wall: 10875.4, 0.00301809/step, 1.1618 hours remaining, 210.886719 MB of memory in use. ENERGY: 3614200 777.9087 2105.6323 1930.7285 107.1253 -206561.2202 17884.2206 0.0000 0.0000 34249.6682 -149505.9366 299.1109 -183755.6048 -149402.5038 298.8055 -38.8158 -6.3382 558136.2177 3.8923 3.8127 PRESSURE: 3614400 -13.8221 -5.66586 -117.578 -5.66569 -42.4289 17.3192 -117.578 17.3195 49.7962 GPRESSURE: 3614400 45.8377 12.2436 -12.5668 20.4784 -4.11563 44.3058 -172.161 10.758 46.1227 PRESSAVG: 3614400 -10.075 3.80451 -53.5456 3.80449 -17.9527 -7.80693 -53.5456 -7.80689 1.88561 GPRESSAVG: 3614400 -10.4122 5.14553 -53.0378 2.9509 -17.5891 -9.99372 -52.8325 -7.63795 1.65936 TIMING: 3614400 CPU: 10876, 0.00301185/step Wall: 10876, 0.00301185/step, 1.15923 hours remaining, 210.886719 MB of memory in use. ENERGY: 3614400 767.2410 2158.5991 1934.9253 115.8942 -207056.5874 18018.3789 0.0000 0.0000 34243.8733 -149817.6755 299.0603 -184061.5488 -149733.2282 297.7275 -2.1516 29.2816 556633.9190 -8.7140 -8.7807 PRESSURE: 3614600 99.5196 -6.86505 74.0712 -6.86481 -78.6242 37.7496 74.0728 37.7505 -147.272 GPRESSURE: 3614600 95.952 -33.2249 125.478 -1.01005 -1.46592 97.9037 7.62745 -12.4884 -128.728 PRESSAVG: 3614600 14.8443 -30.0613 -14.4193 -30.0613 -72.9859 -26.6237 -14.4194 -26.6237 62.6234 GPRESSAVG: 3614600 15.0902 -32.5774 -16.7648 -28.8145 -73.1857 -23.6568 -15.9809 -28.7921 61.8374 TIMING: 3614600 CPU: 10876.6, 0.00302656/step Wall: 10876.6, 0.00302656/step, 1.16472 hours remaining, 210.886719 MB of memory in use. ENERGY: 3614600 751.6375 2136.4312 1974.9604 110.9761 -206088.9812 17591.6564 0.0000 0.0000 33824.0386 -149699.2808 295.3937 -183523.3194 -149602.1576 297.5949 -42.1255 -11.4139 557472.4625 1.4939 1.2473 PRESSURE: 3614800 -121.326 103.99 -72.2027 103.99 -9.5914 9.62998 -72.2024 9.62926 238.456 GPRESSURE: 3614800 -73.3678 105.472 -48.8765 -18.7581 4.92795 -16.9375 -81.4362 5.70094 278.316 PRESSAVG: 3614800 31.2023 -19.4252 -74.9985 -19.4252 -82.8459 -33.1541 -74.9985 -33.154 45.2025 GPRESSAVG: 3614800 30.7709 -18.6862 -73.9681 -20.7701 -83.3992 -33.8195 -73.3713 -31.4141 46.4115 TIMING: 3614800 CPU: 10877.2, 0.00300219/step Wall: 10877.2, 0.00300219/step, 1.15517 hours remaining, 210.886719 MB of memory in use. ENERGY: 3614800 711.3288 2107.9552 1952.6588 117.4608 -206386.5749 17759.8237 0.0000 0.0000 34229.4372 -149507.9104 298.9342 -183737.3476 -149410.3684 297.7028 35.8460 69.9587 557993.2602 -2.1470 -2.0723 PRESSURE: 3615000 -358.038 5.42065 8.0104 5.42318 158.144 -45.1638 8.01073 -45.1646 47.6859 GPRESSURE: 3615000 -263.682 -73.0937 -6.3549 141.603 172.139 -89.8086 -55.0491 -22.5213 46.8668 PRESSAVG: 3615000 -78.4846 27.1993 -18.2986 27.1992 46.8842 -14.8508 -18.2986 -14.8508 56.4846 GPRESSAVG: 3615000 -78.2797 26.517 -18.5753 28.6382 47.3625 -13.9595 -19.1769 -16.7073 55.9562 TIMING: 3615000 CPU: 10877.8, 0.00298493/step Wall: 10877.8, 0.00298493/step, 1.14837 hours remaining, 210.886719 MB of memory in use. ENERGY: 3615000 752.1473 2138.2127 1983.1741 109.6532 -206547.2714 17913.3198 0.0000 0.0000 34289.0155 -149361.7487 299.4545 -183650.7642 -149267.5545 298.1580 -50.7360 -14.8922 556514.4776 8.2947 8.3463 PRESSURE: 3615200 78.2116 191.678 -122.009 191.678 54.4041 -97.5538 -122.009 -97.5543 -231.9 GPRESSURE: 3615200 81.2462 239.745 -148.494 174.13 112.358 22.9249 -79.2066 -115.601 -204.077 PRESSAVG: 3615200 -85.2317 6.60638 -44.0759 6.60638 46.9664 4.32045 -44.076 4.32043 53.3777 GPRESSAVG: 3615200 -85.7659 6.12995 -43.739 8.05361 47.2072 5.4471 -44.2947 6.60454 53.4468 TIMING: 3615200 CPU: 10878.4, 0.00298014/step Wall: 10878.4, 0.00298014/step, 1.14636 hours remaining, 210.886719 MB of memory in use. ENERGY: 3615200 764.5894 2052.9248 1942.9002 101.1659 -206129.6418 17887.8798 0.0000 0.0000 33991.7077 -149388.4741 296.8580 -183380.1818 -149292.3117 298.5932 -33.0949 -3.4911 557292.0880 5.0375 4.9627 PRESSURE: 3615400 86.9976 17.0445 -41.5289 17.0444 -103.265 -174.077 -41.5294 -174.076 35.7581 GPRESSURE: 3615400 129.704 14.3807 -19.1267 -38.112 -98.5313 -218.902 -130.001 -143.128 81.8205 PRESSAVG: 3615400 -4.52499 17.5785 -18.9905 17.5786 42.4926 -28.2441 -18.9905 -28.2441 -31.2337 GPRESSAVG: 3615400 -4.34328 16.5118 -19.2152 15.7415 41.7543 -30.2818 -19.3225 -28.4102 -29.7134 TIMING: 3615400 CPU: 10879, 0.00296335/step Wall: 10879, 0.00296335/step, 1.13974 hours remaining, 210.886719 MB of memory in use. ENERGY: 3615400 739.3835 2134.8882 1948.6892 112.0315 -206473.7867 17882.7995 0.0000 0.0000 34258.8438 -149397.1511 299.1910 -183655.9949 -149306.7152 298.7164 6.4969 37.6643 557172.2500 2.2447 2.5659 PRESSURE: 3615600 8.58026 107.769 4.52757 107.768 147.437 -5.09993 4.52714 -5.09909 193.223 GPRESSURE: 3615600 48.1268 32.4252 30.9764 122.823 172.139 18.6419 -47.6029 23.2468 234.452 PRESSAVG: 3615600 -29.7102 13.418 -19.6699 13.418 -43.074 -44.2258 -19.6699 -44.2258 21.7298 GPRESSAVG: 3615600 -29.2786 15.9757 -20.3939 12.1368 -43.5394 -44.1175 -20.0553 -44.221 21.8199 TIMING: 3615600 CPU: 10879.6, 0.00295793/step Wall: 10879.6, 0.00295793/step, 1.13749 hours remaining, 210.886719 MB of memory in use. ENERGY: 3615600 748.9776 2088.4313 1967.7979 114.1660 -206795.3313 18112.3524 0.0000 0.0000 34211.7861 -149551.8200 298.7800 -183763.6061 -149464.6621 298.4357 116.4134 151.5724 557379.4860 -17.0182 -16.9994 PRESSURE: 3615800 28.6057 102.09 -58.6001 102.09 257.724 94.6308 -58.6017 94.6305 230.032 GPRESSURE: 3615800 78.1897 65.939 5.80899 61.7097 247.326 -11.5001 -144.068 63.9529 291.993 PRESSAVG: 3615800 -85.9051 21.2629 -32.5099 21.2628 17.8769 -5.72974 -32.5099 -5.72982 43.0313 GPRESSAVG: 3615800 -85.3483 20.0455 -31.7307 23.3225 19.0866 -6.28316 -30.9143 -5.60845 41.2993 TIMING: 3615800 CPU: 10880.1, 0.00298313/step Wall: 10880.1, 0.00298313/step, 1.14701 hours remaining, 210.886719 MB of memory in use. ENERGY: 3615800 714.8519 2100.8933 1971.8027 113.2398 -206823.8718 18220.7940 0.0000 0.0000 34235.4905 -149466.7995 298.9871 -183702.2900 -149367.4179 298.5589 172.1207 205.8362 557738.4902 -8.3323 -8.3208 PRESSURE: 3616000 82.432 127.162 -231.798 127.162 110.569 50.3471 -231.798 50.3467 191.418 GPRESSURE: 3616000 118.26 136.447 -228.67 113.802 120.034 101.96 -160.905 58.0322 248.855 PRESSAVG: 3616000 -56.9106 -21.821 25.5843 -21.821 60.8721 31.4571 25.5844 31.4572 25.3253 GPRESSAVG: 3616000 -58.2731 -22.0103 24.7028 -22.4985 61.3022 31.5963 25.3039 30.6917 26.3481 TIMING: 3616000 CPU: 10880.7, 0.00299083/step Wall: 10880.7, 0.00299083/step, 1.14981 hours remaining, 211.089844 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: 3616000 733.6552 2109.4693 1943.9538 121.5736 -206400.8101 17856.7086 0.0000 0.0000 34211.4466 -149424.0030 298.7771 -183635.4496 -149325.2253 298.6228 128.1397 162.3827 556922.4335 9.7622 9.7924 PRESSURE: 3616200 -53.5648 -34.387 -6.36079 -34.3878 -54.0881 -59.7146 -6.35938 -59.7139 251.445 GPRESSURE: 3616200 -38.7643 -122.459 4.97945 -26.3803 -9.32167 -86.8946 -115.353 -15.3982 298.902 PRESSAVG: 3616200 -4.36071 -15.337 -26.403 -15.3371 22.2619 -17.5905 -26.4029 -17.5903 -13.3165 GPRESSAVG: 3616200 -4.52903 -13.5065 -27.2654 -14.865 21.9098 -16.7096 -27.7752 -17.9894 -12.8108 TIMING: 3616200 CPU: 10881.3, 0.00299211/step Wall: 10881.3, 0.00299211/step, 1.15013 hours remaining, 211.089844 MB of memory in use. ENERGY: 3616200 709.5450 2125.5204 1981.8460 117.8328 -206326.6959 17852.4494 0.0000 0.0000 34207.4744 -149332.0279 298.7424 -183539.5023 -149229.0938 298.9397 47.9308 83.6053 557809.9655 1.5282 1.5233 LDB: ============= START OF LOAD BALANCING ============== 10884.9 LDB: ============== END OF LOAD BALANCING =============== 10884.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10884.9 LDB: ============= START OF LOAD BALANCING ============== 10885.2 LDB: Largest compute 4773 load 0.030352 is 25.7% of average load 0.118254 LDB: Average compute 0.001721 is 1.5% of average load 0.118254 LDB: TIME 10885.2 LOAD: AVG 0.118254 MAX 0.210039 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.918 MB LDB: TIME 10885.2 LOAD: AVG 0.118254 MAX 0.210039 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.918 MB LDB: TIME 10885.2 LOAD: AVG 0.118254 MAX 0.210039 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.918 MB LDB: ============== END OF LOAD BALANCING =============== 10885.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10885.2 PRESSURE: 3616400 -144.13 -125.119 -12.1161 -125.12 -70.1072 -168.834 -12.1148 -168.835 -27.5262 GPRESSURE: 3616400 -158.602 -72.327 -17.0356 -172.043 -41.1838 -194.349 -10.3571 -188.519 55.7571 PRESSAVG: 3616400 -10.5629 12.8437 28.5989 12.8437 8.43564 -19.4733 28.599 -19.4733 39.6983 GPRESSAVG: 3616400 -9.5411 13.333 31.2877 11.4656 7.4891 -19.0671 29.512 -17.2105 39.2825 TIMING: 3616400 CPU: 10882, 0.00306721/step Wall: 10882, 0.00306721/step, 1.17883 hours remaining, 209.710938 MB of memory in use. ENERGY: 3616400 756.4522 2095.4219 1927.7282 107.0218 -206306.9254 17846.4331 0.0000 0.0000 34195.8505 -149378.0178 298.6409 -183573.8683 -149278.6013 298.5269 -80.5879 -48.0095 557657.2430 12.5237 12.4102 PRESSURE: 3616600 -200.796 28.847 -16.4056 28.8475 -216.191 57.2756 -16.4048 57.2757 -41.329 GPRESSURE: 3616600 -195.37 38.4141 -5.40553 65.8132 -190.387 107.723 -75.4667 35.9382 13.5297 PRESSAVG: 3616600 30.1324 -37.22 -25.3845 -37.22 -28.7623 -41.6908 -25.3845 -41.6908 9.28824 GPRESSAVG: 3616600 29.4876 -37.4332 -26.5069 -36.6855 -28.4856 -41.8661 -25.5549 -43.1803 9.36866 TIMING: 3616600 CPU: 10882.6, 0.00298047/step Wall: 10882.6, 0.00298047/step, 1.14533 hours remaining, 209.914062 MB of memory in use. ENERGY: 3616600 736.7605 2041.6446 1957.6433 130.9850 -206043.5577 17652.6492 0.0000 0.0000 34257.5256 -149266.3495 299.1795 -183523.8751 -149177.0044 299.3909 -152.7720 -124.0760 558328.9931 3.5528 3.4569 PRESSURE: 3616800 -306.376 -16.6603 21.891 -16.6607 -51.4516 86.202 21.8908 86.2018 110.099 GPRESSURE: 3616800 -240.238 -83.6791 31.0852 -0.388172 22.564 128.781 -10.391 18.7165 79.3243 PRESSAVG: 3616800 6.39445 -66.1071 28.1898 -66.107 -10.0731 -34.2778 28.1898 -34.2778 10.1142 GPRESSAVG: 3616800 7.17287 -65.5992 27.9154 -66.744 -10.9261 -36.2786 27.4615 -32.2279 10.4195 TIMING: 3616800 CPU: 10883.2, 0.00299474/step Wall: 10883.2, 0.00299474/step, 1.15065 hours remaining, 209.914062 MB of memory in use. ENERGY: 3616800 782.5363 2064.0719 1953.6792 111.4479 -205982.0896 17654.0229 0.0000 0.0000 34127.4754 -149288.8560 298.0437 -183416.3314 -149191.8018 298.5142 -82.5762 -46.1166 557118.5595 2.1452 2.2221 PRESSURE: 3617000 -407.568 -15.2876 -49.4217 -15.2875 -81.8624 -17.0172 -49.4213 -17.0149 -47.6659 GPRESSURE: 3617000 -380.895 23.2857 33.3469 -49.052 -69.0313 -104.055 -69.9047 -7.91305 13.3505 PRESSAVG: 3617000 -12.3594 -7.06117 -14.4701 -7.06111 64.8123 -17.6041 -14.4701 -17.6042 -43.9377 GPRESSAVG: 3617000 -11.6914 -6.49902 -13.4899 -6.14419 66.2127 -15.9279 -15.1928 -20.4595 -46.0422 TIMING: 3617000 CPU: 10883.8, 0.00298614/step Wall: 10883.8, 0.00298614/step, 1.14718 hours remaining, 209.914062 MB of memory in use. ENERGY: 3617000 723.7809 2062.8906 1934.4898 120.3636 -205683.4296 17491.0955 0.0000 0.0000 34291.4829 -149059.3262 299.4760 -183350.8092 -148966.0504 299.1960 -179.0321 -145.5254 560125.5468 2.8384 2.8264 PRESSURE: 3617200 -6.14816 -35.7201 -19.2708 -35.7184 72.0455 88.4056 -19.27 88.4049 51.5681 GPRESSURE: 3617200 10.0124 -2.24443 -20.3721 -21.4674 86.286 36.3238 -66.2689 125.483 114.353 PRESSAVG: 3617200 -71.5468 -13.857 -1.24422 -13.857 73.1009 -27.5756 -1.24416 -27.5756 -31.6212 GPRESSAVG: 3617200 -72.7532 -14.1092 -1.90067 -15.6319 73.3245 -28.2736 -0.235982 -27.4806 -30.783 TIMING: 3617200 CPU: 10884.3, 0.00299665/step Wall: 10884.3, 0.00299665/step, 1.15105 hours remaining, 209.914062 MB of memory in use. ENERGY: 3617200 787.4997 2070.6035 1935.2839 116.8517 -206395.4233 18020.0315 0.0000 0.0000 34317.6330 -149147.5200 299.7044 -183465.1530 -149049.4962 298.9152 39.1551 70.2173 557868.1752 -10.0224 -10.0706 PRESSURE: 3617400 -29.5275 -21.6403 -117.561 -21.6407 163.166 -97.8715 -117.561 -97.871 51.6201 GPRESSURE: 3617400 -14.9451 -4.74842 -130.088 -36.4838 214.867 -33.6023 -123.204 -30.1618 80.6346 PRESSAVG: 3617400 -43.9469 -16.3674 -10.8452 -16.3674 75.4971 -34.4066 -10.8453 -34.4065 40.9465 GPRESSAVG: 3617400 -43.7159 -16.0276 -12.3678 -15.4335 75.6386 -33.3495 -10.8618 -34.9009 40.5177 TIMING: 3617400 CPU: 10885, 0.00302923/step Wall: 10885, 0.00302923/step, 1.16339 hours remaining, 209.914062 MB of memory in use. ENERGY: 3617400 764.9152 2075.1734 1931.7003 119.8489 -206263.3547 17932.9996 0.0000 0.0000 34480.6137 -148958.1035 301.1278 -183438.7173 -148859.2769 300.0230 61.7529 93.5188 557550.1658 24.1656 24.1468 PRESSURE: 3617600 53.3739 -3.18744 67.4528 -3.18631 -227.504 -15.2786 67.4524 -15.2772 -220.174 GPRESSURE: 3617600 46.3784 -2.74005 84.9318 49.3447 -165.865 -45.7484 120.201 6.83154 -177.094 PRESSAVG: 3617600 -11.6782 -31.0873 10.133 -31.0872 -34.1591 -35.5257 10.133 -35.5257 33.969 GPRESSAVG: 3617600 -11.5207 -32.7178 10.3513 -30.3124 -33.2295 -37.6799 10.1822 -32.3055 33.6506 TIMING: 3617600 CPU: 10885.6, 0.00302993/step Wall: 10885.6, 0.00302993/step, 1.16349 hours remaining, 209.914062 MB of memory in use. ENERGY: 3617600 757.5884 2063.5736 1939.1413 108.7554 -205982.2528 17725.5921 0.0000 0.0000 34476.0234 -148911.5788 301.0877 -183387.6021 -148816.3039 300.4320 -131.4349 -98.8603 558624.8581 -3.9561 -3.6999 PRESSURE: 3617800 33.4096 19.0361 11.3022 19.036 -58.0567 55.9428 11.3023 55.9425 -39.8134 GPRESSURE: 3617800 2.09889 50.4801 13.7496 29.9311 27.161 129.432 19.512 75.2885 3.75328 PRESSAVG: 3617800 47.6956 -9.91649 -20.7612 -9.91643 -62.8479 -40.3258 -20.7611 -40.3258 -5.8887 GPRESSAVG: 3617800 46.9919 -9.0179 -19.9791 -11.8283 -63.017 -38.4874 -22.3518 -41.2895 -5.16349 TIMING: 3617800 CPU: 10886.2, 0.00300241/step Wall: 10886.2, 0.00300241/step, 1.15276 hours remaining, 209.914062 MB of memory in use. ENERGY: 3617800 735.4234 2100.9638 1952.4339 126.9367 -205822.0056 17670.5562 0.0000 0.0000 34234.7871 -149000.9044 298.9809 -183235.6915 -148899.3561 299.8299 -21.4868 11.0044 557223.3740 -7.0137 -7.0629 PRESSURE: 3618000 -118.949 -131.752 -27.8225 -131.752 43.6392 77.9339 -27.8227 77.9335 -204.504 GPRESSURE: 3618000 -162.411 -13.0343 15.9638 -217.67 88.2396 120.181 -2.55308 40.7188 -109.16 PRESSAVG: 3618000 36.8094 -30.799 0.279202 -30.799 35.6156 23.849 0.279173 23.849 -54.5951 GPRESSAVG: 3618000 37.2872 -31.3507 0.563502 -29.3362 35.0177 25.3438 1.77919 22.6731 -54.5188 TIMING: 3618000 CPU: 10886.8, 0.00295773/step Wall: 10886.8, 0.00295773/step, 1.13544 hours remaining, 209.914062 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: 3618000 746.0849 2043.4710 1949.1206 111.0843 -205877.0047 17797.5288 0.0000 0.0000 34246.2046 -148983.5105 299.0806 -183229.7151 -148890.1482 300.1140 -93.2713 -61.1106 558683.2247 5.9433 5.9287 PRESSURE: 3618200 -188.689 -38.1081 64.1282 -38.108 92.0311 -249.609 64.1283 -249.608 -56.2089 GPRESSURE: 3618200 -132.971 14.5763 69.7397 -12.1468 114.191 -319.229 59.5836 -143.243 -47.9929 PRESSAVG: 3618200 -51.0681 -10.3747 55.6206 -10.3747 -30.7867 -13.215 55.6207 -13.2149 43.9122 GPRESSAVG: 3618200 -50.6348 -12.0557 55.5114 -7.73564 -30.6964 -14.0643 54.9224 -11.7225 44.0575 TIMING: 3618200 CPU: 10887.3, 0.00295753/step Wall: 10887.3, 0.00295753/step, 1.1352 hours remaining, 209.914062 MB of memory in use. ENERGY: 3618200 720.6834 2098.8827 1944.9313 114.5826 -205948.5194 17701.7043 0.0000 0.0000 34245.4696 -149122.2655 299.0742 -183367.7351 -149027.9154 299.3996 -50.9554 -22.2577 557568.7948 -12.6476 -12.4246 PRESSURE: 3618400 -268.072 61.9505 -127.786 61.9513 -98.7329 -62.2506 -127.788 -62.2501 -441.601 GPRESSURE: 3618400 -262.008 -26.8551 -57.8232 133.59 -45.5671 -49.1823 -175.374 -18.0886 -411.759 PRESSAVG: 3618400 48.3631 11.3553 -12.9336 11.3552 62.7964 -43.3918 -12.9335 -43.3918 -83.6561 GPRESSAVG: 3618400 48.4749 13.5134 -11.973 8.12334 63.1302 -44.7217 -12.2987 -43.6714 -84.2417 TIMING: 3618400 CPU: 10887.9, 0.00295018/step Wall: 10887.9, 0.00295018/step, 1.13221 hours remaining, 209.914062 MB of memory in use. ENERGY: 3618400 751.9888 2119.7850 1957.4625 112.1262 -205761.4483 17244.7640 0.0000 0.0000 34382.1991 -149193.1227 300.2683 -183575.3218 -149100.2840 299.4630 -269.4685 -239.7783 555371.9582 9.1678 9.1211 PRESSURE: 3618600 -50.4823 118.872 -49.773 118.872 -220.982 -19.9109 -49.7732 -19.9124 -295.093 GPRESSURE: 3618600 -21.103 50.7399 -51.7054 117.845 -200.413 4.50858 -54.4468 -12.1014 -260.391 PRESSAVG: 3618600 -54.056 9.5382 12.2999 9.53815 47.8719 12.7938 12.2998 12.7939 -28.286 GPRESSAVG: 3618600 -55.211 9.65907 11.2549 9.31539 48.9629 13.6913 14.4506 13.511 -29.0558 TIMING: 3618600 CPU: 10888.5, 0.00292589/step Wall: 10888.5, 0.00292589/step, 1.12273 hours remaining, 209.914062 MB of memory in use. ENERGY: 3618600 772.6771 2047.4028 1989.1864 116.5245 -205983.5580 17555.3252 0.0000 0.0000 34270.3662 -149232.0760 299.2916 -183502.4422 -149132.8530 298.6840 -188.8522 -160.6355 557963.4283 -11.4901 -11.7680 PRESSURE: 3618800 -172.2 47.8026 -76.8697 47.8015 -77.08 67.9533 -76.8692 67.9546 -163.108 GPRESSURE: 3618800 -129.925 -5.57901 -56.994 53.2542 -6.40874 64.4187 -42.9256 112.81 -166.834 PRESSAVG: 3618800 -26.3004 -48.0199 -24.4876 -48.0198 2.35505 0.609666 -24.4877 0.609684 23.0453 GPRESSAVG: 3618800 -25.1875 -47.5611 -24.2071 -48.2407 1.48798 -0.614165 -24.6913 0.0643175 22.1747 TIMING: 3618800 CPU: 10889.1, 0.00295136/step Wall: 10889.1, 0.00295136/step, 1.13234 hours remaining, 209.914062 MB of memory in use. ENERGY: 3618800 768.3173 2092.1784 1972.1587 117.2519 -206107.0451 17551.9063 0.0000 0.0000 34292.1033 -149313.1290 299.4815 -183605.2324 -149218.6424 298.7535 -137.4628 -101.0559 555631.2923 -0.3000 -0.5083 PRESSURE: 3619000 -198.512 160.55 92.8602 160.549 -38.1912 24.0428 92.8603 24.0423 82.8854 GPRESSURE: 3619000 -135.486 151.123 84.5312 106.36 -2.78476 -38.8555 36.7366 82.8903 76.6787 PRESSAVG: 3619000 -3.65249 -1.28526 27.4045 -1.28536 4.13623 51.4577 27.4045 51.4578 -23.4151 GPRESSAVG: 3619000 -5.13021 -2.86127 26.0022 -0.187302 4.42457 54.1875 26.3353 48.95 -22.6631 TIMING: 3619000 CPU: 10889.7, 0.00298766/step Wall: 10889.7, 0.00298766/step, 1.1461 hours remaining, 209.914062 MB of memory in use. ENERGY: 3619000 758.2281 2053.6545 1933.7360 118.4802 -206409.6756 17774.3413 0.0000 0.0000 34472.4091 -149298.8264 301.0561 -183771.2355 -149211.5940 299.1203 -51.2727 -20.5308 556645.8479 -7.6438 -7.7896 PRESSURE: 3619200 154.009 49.1407 -18.4341 49.1418 54.9781 185.733 -18.4341 185.734 -124.158 GPRESSURE: 3619200 179.1 76.8629 -28.3422 2.77903 93.4908 252.804 -124.967 194.393 -96.9331 PRESSAVG: 3619200 28.1016 42.4358 -14.4133 42.4358 13.8966 21.7978 -14.4134 21.7979 -22.9598 GPRESSAVG: 3619200 28.0498 42.5589 -14.1587 42.5468 13.6342 21.1802 -14.6959 21.8587 -22.5691 TIMING: 3619200 CPU: 10890.3, 0.00297855/step Wall: 10890.3, 0.00297855/step, 1.14244 hours remaining, 209.914062 MB of memory in use. ENERGY: 3619200 710.0793 2068.0348 1962.0617 114.1429 -206076.4560 17815.6191 0.0000 0.0000 33971.4302 -149435.0880 296.6809 -183406.5182 -149340.3309 299.3620 28.2761 58.5526 557119.5309 6.3461 6.3717 PRESSURE: 3619400 -36.8424 -30.1812 23.0309 -30.1817 -196.437 -62.325 23.0307 -62.3241 225.638 GPRESSURE: 3619400 -25.0672 -139.827 58.536 63.0724 -135.473 -39.842 25.5412 -115.414 254.73 PRESSAVG: 3619400 64.8061 -31.3269 41.9041 -31.3269 -33.0654 -12.7496 41.904 -12.7494 -34.3468 GPRESSAVG: 3619400 64.4148 -32.4584 41.7296 -29.8088 -32.0001 -12.3212 42.0531 -11.5674 -34.9646 TIMING: 3619400 CPU: 10890.9, 0.00297629/step Wall: 10890.9, 0.00297629/step, 1.14141 hours remaining, 209.914062 MB of memory in use. ENERGY: 3619400 761.7033 2066.5809 1966.6506 129.3774 -206246.3292 17809.6722 0.0000 0.0000 34119.1881 -149393.1568 297.9714 -183512.3449 -149299.7103 298.6864 -2.5472 31.3966 557017.3708 -0.8687 -0.8500 PRESSURE: 3619600 -170.546 71.6714 151.668 71.6719 -284.56 -96.6032 151.667 -96.6022 17.8388 GPRESSURE: 3619600 -133.771 20.7402 145.543 76.4701 -262.025 -129.256 206.834 -75.5438 57.3593 PRESSAVG: 3619600 -30.8398 -63.5415 29.5494 -63.5414 -33.4914 -71.8365 29.5494 -71.8366 115.083 GPRESSAVG: 3619600 -29.7957 -61.2664 27.7784 -67.4978 -35.4354 -71.2606 30.0624 -71.8458 115.785 TIMING: 3619600 CPU: 10891.5, 0.00298198/step Wall: 10891.5, 0.00298198/step, 1.14342 hours remaining, 209.914062 MB of memory in use. ENERGY: 3619600 828.0960 2065.3526 1940.2546 119.3355 -206167.3731 17764.7941 0.0000 0.0000 34014.4934 -149435.0469 297.0570 -183449.5403 -149338.7488 299.4802 -145.7558 -112.8122 558088.1900 16.9171 16.8513 PRESSURE: 3619800 -300.271 205.486 7.28669 205.487 -95.299 166.187 7.28751 166.188 -18.4829 GPRESSURE: 3619800 -242.059 216.021 -12.0817 202.088 -71.5145 141.914 7.32194 184.105 -17.4267 PRESSAVG: 3619800 -27.5539 -30.3985 -0.404309 -30.3986 -47.6273 -25.3705 -0.4042 -25.3706 103.663 GPRESSAVG: 3619800 -27.8435 -32.4163 0.709775 -27.1 -47.3666 -26.5963 -0.38002 -26.3187 103.285 TIMING: 3619800 CPU: 10892.1, 0.00300078/step Wall: 10892.1, 0.00300078/step, 1.15047 hours remaining, 209.914062 MB of memory in use. ENERGY: 3619800 747.2516 2038.9892 1926.3238 114.0040 -206205.3258 17598.2229 0.0000 0.0000 34396.4630 -149384.0713 300.3929 -183780.5343 -149284.0992 299.2545 -138.0178 -110.3333 556983.8267 9.4939 9.3584 PRESSURE: 3620000 -249.22 -64.6401 -15.361 -64.6405 2.45002 119.405 -15.3615 119.405 232.02 GPRESSURE: 3620000 -214.644 -50.0818 -12.6147 9.27016 61.3903 84.9568 -14.9428 66.4117 246.943 PRESSAVG: 3620000 -29.7147 35.7059 17.0798 35.7059 -16.0384 -23.1078 17.0798 -23.1079 39.9757 GPRESSAVG: 3620000 -29.6914 37.2189 17.1546 33.4686 -14.8795 -23.3371 18.3273 -21.5143 38.7777 TIMING: 3620000 CPU: 10892.7, 0.00302546/step Wall: 10892.7, 0.00302546/step, 1.15976 hours remaining, 209.914062 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: 3620000 710.7472 2079.5643 1939.7794 121.6854 -206408.1972 17846.5203 0.0000 0.0000 34294.3261 -149415.5745 299.5009 -183709.9006 -149313.5691 298.9759 -4.9164 31.2298 557806.0147 -1.9258 -1.9311 PRESSURE: 3620200 -99.5501 131.793 -143.289 131.794 -108.722 101.594 -143.289 101.593 106.017 GPRESSURE: 3620200 -38.924 68.3785 -92.0582 91.1157 -70.7363 48.7617 -116.87 148.181 103.399 PRESSAVG: 3620200 -88.2725 13.3054 25.9242 13.3055 9.04912 17.0746 25.9242 17.0746 97.2109 GPRESSAVG: 3620200 -87.2877 11.4533 24.2941 13.6034 9.38306 16.6039 25.4776 16.2303 96.2986 TIMING: 3620200 CPU: 10893.3, 0.00301807/step Wall: 10893.3, 0.00301807/step, 1.15676 hours remaining, 209.914062 MB of memory in use. ENERGY: 3620200 776.3851 2064.7778 1988.7622 109.9718 -206423.5613 18015.1337 0.0000 0.0000 34020.2597 -149448.2710 297.1074 -183468.5307 -149349.7371 298.1357 -34.0849 -2.0872 558720.5048 5.9959 6.1313 LDB: ============= START OF LOAD BALANCING ============== 10896.8 LDB: ============== END OF LOAD BALANCING =============== 10896.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10896.8 LDB: ============= START OF LOAD BALANCING ============== 10897.1 LDB: Largest compute 4802 load 0.029714 is 25.1% of average load 0.118174 LDB: Average compute 0.001727 is 1.5% of average load 0.118174 LDB: TIME 10897.1 LOAD: AVG 0.118174 MAX 0.209396 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.254 MB LDB: TIME 10897.1 LOAD: AVG 0.118174 MAX 0.209396 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.254 MB LDB: TIME 10897.1 LOAD: AVG 0.118174 MAX 0.209396 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.254 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10897.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10897.1 PRESSURE: 3620400 263.296 20.1756 116.067 20.1758 -271.976 -120.253 116.068 -120.252 33.9358 GPRESSURE: 3620400 242.165 17.8071 85.7008 56.4246 -170.693 -149.733 128.609 -147.754 48.4556 PRESSAVG: 3620400 -38.027 -36.7601 -15.7344 -36.7602 11.9255 6.37952 -15.7344 6.3795 27.761 GPRESSAVG: 3620400 -40.0884 -35.2807 -14.5983 -35.2447 11.4352 6.205 -15.4304 6.51202 29.9779 TIMING: 3620400 CPU: 10893.9, 0.00307374/step Wall: 10893.9, 0.00307374/step, 1.17793 hours remaining, 211.000000 MB of memory in use. ENERGY: 3620400 722.9231 2113.2493 1925.3772 105.2466 -206504.3977 17821.4389 0.0000 0.0000 34187.4921 -149628.6705 298.5679 -183816.1627 -149532.5291 298.3063 8.4184 39.9759 557739.0439 0.5532 0.4416 PRESSURE: 3620600 225.907 -2.68357 -91.078 -2.68405 -60.1826 -57.6791 -91.0773 -57.6772 -110.769 GPRESSURE: 3620600 193.137 -48.3568 -66.0571 51.1915 13.2563 -78.9349 -45.8 -41.79 -41.7043 PRESSAVG: 3620600 -39.0342 -17.34 -19.4158 -17.34 16.0425 -43.1793 -19.4159 -43.1793 45.7232 GPRESSAVG: 3620600 -38.1418 -17.2933 -19.2786 -18.3304 16.3508 -43.1572 -22.0465 -42.4761 44.4422 TIMING: 3620600 CPU: 10894.5, 0.00301266/step Wall: 10894.5, 0.00301266/step, 1.15435 hours remaining, 211.000000 MB of memory in use. ENERGY: 3620600 744.2420 2017.8215 1949.7211 120.5892 -206322.2898 17828.6075 0.0000 0.0000 34065.7399 -149595.5685 297.5046 -183661.3084 -149493.4946 298.0366 18.3186 54.8964 556820.4143 7.5772 7.5504 PRESSURE: 3620800 -268.288 4.49705 36.6917 4.49695 -92.4114 -138.617 36.6913 -138.618 -310.511 GPRESSURE: 3620800 -192.949 28.5406 -31.6308 24.7164 -93.6438 -71.1122 140.067 -121.649 -297.698 PRESSAVG: 3620800 -21.5556 -8.95434 34.8712 -8.95437 -35.7575 -27.494 34.8712 -27.4942 22.448 GPRESSAVG: 3620800 -22.2392 -9.77345 34.4619 -5.92872 -35.3731 -28.1791 37.0229 -27.4971 22.5532 TIMING: 3620800 CPU: 10895.1, 0.00298769/step Wall: 10895.1, 0.00298769/step, 1.14462 hours remaining, 211.000000 MB of memory in use. ENERGY: 3620800 748.7268 2048.3482 1931.2513 105.0587 -206231.5310 17710.9401 0.0000 0.0000 34056.5907 -149630.6153 297.4247 -183687.2060 -149528.7580 297.8571 -223.7370 -194.7634 558467.5164 -11.6217 -11.6864 PRESSURE: 3621000 90.4571 -118.819 4.65232 -118.819 8.22419 -20.9348 4.65243 -20.9346 -304.9 GPRESSURE: 3621000 109.427 -64.6289 6.92877 -95.2387 37.5205 -8.88192 25.6288 -17.2268 -266.519 PRESSAVG: 3621000 16.1618 25.3919 20.6212 25.392 -1.513 -10.0057 20.6213 -10.0057 -36.3609 GPRESSAVG: 3621000 17.1979 26.0384 23.4567 24.9316 -3.24595 -9.18022 19.0348 -10.6654 -35.5658 TIMING: 3621000 CPU: 10895.7, 0.00300401/step Wall: 10895.7, 0.00300401/step, 1.1507 hours remaining, 211.000000 MB of memory in use. ENERGY: 3621000 743.3734 2069.3787 1944.3275 105.5254 -206393.3713 17760.2409 0.0000 0.0000 34044.8822 -149725.6430 297.3224 -183770.5252 -149631.0528 298.0016 -68.7394 -39.8572 557938.0637 -7.2374 -7.2046 PRESSURE: 3621200 -158.545 20.7421 22.6853 20.7419 103.791 9.27444 22.6843 9.27468 -20.8529 GPRESSURE: 3621200 -126.358 48.6117 109.265 21.7048 157.222 -103.965 6.03156 119.398 -8.02947 PRESSAVG: 3621200 -54.739 -45.7267 47.1162 -45.7267 46.7151 19.486 47.1162 19.4862 -33.4195 GPRESSAVG: 3621200 -54.6451 -45.8533 45.2183 -47.2684 47.2018 18.6004 46.8495 18.2224 -34.1105 TIMING: 3621200 CPU: 10896.3, 0.0029974/step Wall: 10896.3, 0.0029974/step, 1.148 hours remaining, 211.000000 MB of memory in use. ENERGY: 3621200 721.8252 2060.4958 1934.5259 105.3327 -206595.6989 17863.8580 0.0000 0.0000 34002.9071 -149906.7544 296.9558 -183909.6614 -149811.5929 297.8642 -25.2023 7.6116 557459.9135 -13.8145 -13.8513 PRESSURE: 3621400 241.376 -26.8044 -173.743 -26.8057 320.521 -206.655 -173.744 -206.654 175.942 GPRESSURE: 3621400 261.726 14.5345 -60.1527 -67.0242 339.438 -214.697 -212.322 -324.61 228.608 PRESSAVG: 3621400 20.3929 -0.536996 43.9795 -0.537072 -0.322597 -36.3692 43.9795 -36.3694 4.44625 GPRESSAVG: 3621400 18.6126 -0.394421 43.0282 -1.88205 0.637029 -33.1351 45.0419 -39.0376 4.6641 TIMING: 3621400 CPU: 10896.9, 0.00298557/step Wall: 10896.9, 0.00298557/step, 1.14331 hours remaining, 211.000000 MB of memory in use. ENERGY: 3621400 753.6074 2027.3329 1946.9021 103.5830 -206656.0570 18034.1297 0.0000 0.0000 34117.6271 -149672.8749 297.9577 -183790.5020 -149583.3621 297.8020 245.9463 276.5906 554051.0734 8.1722 7.9712 PRESSURE: 3621600 133.087 151.247 -3.90157 151.246 -22.251 84.284 -3.90302 84.2851 -0.324684 GPRESSURE: 3621600 171.746 106.536 22.5396 66.9159 -37.1881 94.9298 -63.8363 117.881 61.6283 PRESSAVG: 3621600 12.2926 67.4722 -10.8164 67.4721 -27.7489 -7.98443 -10.8163 -7.9844 43.4731 GPRESSAVG: 3621600 14.1982 65.02 -9.94512 68.4521 -27.9223 -9.95084 -11.9105 -5.44897 41.9071 TIMING: 3621600 CPU: 10897.5, 0.00297277/step Wall: 10897.5, 0.00297277/step, 1.13824 hours remaining, 211.000000 MB of memory in use. ENERGY: 3621600 741.6583 2076.7532 1970.2594 115.2560 -207159.7176 18113.3792 0.0000 0.0000 34415.2893 -149727.1223 300.5573 -184142.4115 -149631.8519 298.6566 36.8371 65.3955 556968.7856 9.3389 9.3943 PRESSURE: 3621800 248.453 89.7556 -73.5485 89.7559 207.606 -55.9128 -73.5489 -55.9137 -129.118 GPRESSURE: 3621800 214.811 98.3293 -34.4564 85.4176 228.795 -94.3477 -78.3777 -65.9706 -29.2692 PRESSAVG: 3621800 21.3466 62.7889 -19.2255 62.7888 -16.2444 -14.209 -19.2255 -14.209 -44.5868 GPRESSAVG: 3621800 20.1989 65.7241 -18.1365 60.5679 -16.8032 -14.3164 -19.2175 -13.3564 -43.5917 TIMING: 3621800 CPU: 10898.1, 0.00299958/step Wall: 10898.1, 0.00299958/step, 1.14834 hours remaining, 211.000000 MB of memory in use. ENERGY: 3621800 693.4853 2038.0111 1957.8247 119.3924 -206665.3304 18016.9210 0.0000 0.0000 34186.2851 -149653.4107 298.5573 -183839.6958 -149552.7659 298.8896 108.9802 138.1120 557522.4035 -13.1615 -13.3987 PRESSURE: 3622000 -147.839 -4.89567 201.902 -4.89545 196.232 -67.4898 201.902 -67.4901 -35.4019 GPRESSURE: 3622000 -100.569 68.8942 137.896 67.2608 220.681 -29.12 210.587 -98.1236 -20.0633 PRESSAVG: 3622000 2.55027 14.2928 33.257 14.2928 44.6149 -36.7982 33.2571 -36.7982 -27.5483 GPRESSAVG: 3622000 2.91565 13.9177 30.3234 14.9623 44.4021 -37.0451 34.3461 -36.4406 -27.4306 TIMING: 3622000 CPU: 10898.7, 0.00299773/step Wall: 10898.7, 0.00299773/step, 1.14746 hours remaining, 211.000000 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: 3622000 701.8216 2053.6259 1958.7984 107.2010 -206152.6719 17822.7609 0.0000 0.0000 33984.2052 -149524.2589 296.7925 -183508.4641 -149427.7726 297.6154 4.3303 33.3494 557802.1825 6.5390 6.6290 PRESSURE: 3622200 -2.43642 -219.132 -96.3765 -219.132 -208.654 -122.641 -96.3775 -122.64 -61.8055 GPRESSURE: 3622200 -3.69977 -159.712 -39.0538 -284.259 -134.609 -77.1189 -106.473 -97.4173 -36.3137 PRESSAVG: 3622200 -0.0475738 -44.2232 16.9908 -44.2232 24.2393 -22.2143 16.9908 -22.2143 -3.22516 GPRESSAVG: 3622200 -1.4407 -43.9934 18.4746 -44.0174 24.6867 -22.6909 17.2874 -23.5239 -2.4598 TIMING: 3622200 CPU: 10899.3, 0.00301002/step Wall: 10899.3, 0.00301002/step, 1.152 hours remaining, 211.000000 MB of memory in use. ENERGY: 3622200 717.7668 2018.9991 1946.8660 134.5485 -206295.5149 17663.0111 0.0000 0.0000 34272.6173 -149541.7062 299.3113 -183814.3235 -149442.9521 298.0189 -90.9652 -58.2073 557175.8965 6.9889 6.9287 PRESSURE: 3622400 -396.51 -68.4084 -136.357 -68.408 84.9517 73.9268 -136.357 73.9267 -29.3779 GPRESSURE: 3622400 -367.025 -29.3105 -70.6859 -95.3318 124.146 68.0475 -170.407 76.5981 0.0595512 PRESSAVG: 3622400 -13.8964 35.2421 -12.194 35.2421 14.3232 -14.0927 -12.1942 -14.0927 -23.4809 GPRESSAVG: 3622400 -12.0193 34.1354 -10.4119 35.9267 13.9189 -12.4121 -13.2586 -14.1504 -24.606 TIMING: 3622400 CPU: 10899.9, 0.00301949/step Wall: 10899.9, 0.00301949/step, 1.15546 hours remaining, 211.000000 MB of memory in use. ENERGY: 3622400 751.8004 2035.2779 1957.8842 107.4328 -206375.5639 17648.2616 0.0000 0.0000 34284.7304 -149590.1765 299.4171 -183874.9069 -149493.9278 297.9837 -113.6454 -80.9398 556965.8968 -7.6847 -7.5688 PRESSURE: 3622600 -413.002 65.0922 -94.2686 65.0913 -222.808 34.7865 -94.2682 34.7869 -214.933 GPRESSURE: 3622600 -329.925 138.056 -107.939 104.833 -243.112 73.4485 -80.4643 51.5618 -180.555 PRESSAVG: 3622600 -1.37558 -48.729 8.02613 -48.729 29.8188 -22.9191 8.02612 -22.9192 -47.1609 GPRESSAVG: 3622600 -2.48251 -46.5124 6.64318 -48.9248 29.7729 -23.3643 9.4202 -22.6743 -45.4474 TIMING: 3622600 CPU: 10900.5, 0.00303343/step Wall: 10900.5, 0.00303343/step, 1.16063 hours remaining, 211.000000 MB of memory in use. ENERGY: 3622600 757.2866 2092.0418 1956.4384 101.9094 -205802.6308 17370.0051 0.0000 0.0000 34149.1586 -149375.7909 298.2331 -183524.9495 -149283.3009 298.3113 -283.5809 -251.1973 556653.6595 -6.2392 -6.0523 PRESSURE: 3622800 -191.474 -221.782 -66.1308 -221.783 -71.8353 51.4232 -66.1312 51.4235 76.9085 GPRESSURE: 3622800 -170.982 -139.791 -104.588 -142.577 -21.4604 51.0008 8.67891 66.8023 84.7652 PRESSAVG: 3622800 5.40078 -59.9392 5.92141 -59.9392 5.00798 -13.9449 5.92145 -13.9448 -25.1727 GPRESSAVG: 3622800 5.51948 -60.2584 5.59542 -59.187 5.11243 -15.1797 5.3726 -13.9989 -25.3652 TIMING: 3622800 CPU: 10901.1, 0.00301709/step Wall: 10901.1, 0.00301709/step, 1.1542 hours remaining, 211.000000 MB of memory in use. ENERGY: 3622800 751.6204 2077.5307 1950.6360 107.6588 -206178.1834 17819.3319 0.0000 0.0000 34162.9391 -149308.4665 298.3534 -183471.4055 -149212.1963 299.5752 -62.1337 -35.8924 557884.0911 -4.9213 -4.9111 PRESSURE: 3623000 -93.009 -129.009 12.0225 -129.009 -14.8651 -61.2081 12.0234 -61.2088 -235.365 GPRESSURE: 3623000 -50.3816 -11.8474 53.0586 -132.69 17.0361 -57.4694 -0.313674 -89.7039 -214.01 PRESSAVG: 3623000 14.5527 29.7667 -5.65883 29.7667 0.591093 43.6662 -5.65877 43.6662 25.8982 GPRESSAVG: 3623000 15.3422 29.1896 -5.63248 28.4087 0.366854 43.9949 -5.1987 41.7261 25.0488 TIMING: 3623000 CPU: 10901.7, 0.00299466/step Wall: 10901.7, 0.00299466/step, 1.14546 hours remaining, 211.000000 MB of memory in use. ENERGY: 3623000 743.4015 2071.3749 1959.7008 108.0697 -205965.0147 17582.6636 0.0000 0.0000 34298.2407 -149201.5635 299.5351 -183499.8041 -149112.3316 299.6279 -114.4130 -82.4517 557302.7991 13.6807 13.5859 PRESSURE: 3623200 -14.1682 -29.3567 3.38659 -29.3577 77.1901 58.7499 3.38575 58.7479 249.951 GPRESSURE: 3623200 58.398 43.2447 -47.6253 -51.7948 80.8659 41.2623 -30.6816 123.608 254.856 PRESSAVG: 3623200 -55.7174 15.3731 -7.14027 15.3732 27.8098 16.1468 -7.14015 16.1469 2.76555 GPRESSAVG: 3623200 -55.0893 14.9972 -7.79816 16.5686 27.6136 15.8115 -8.75779 18.4117 2.88699 TIMING: 3623200 CPU: 10902.3, 0.00301529/step Wall: 10902.3, 0.00301529/step, 1.15318 hours remaining, 211.000000 MB of memory in use. ENERGY: 3623200 711.6503 2082.5690 1971.7156 122.2296 -206257.8970 17879.4932 0.0000 0.0000 34104.8949 -149385.3445 297.8465 -183490.2394 -149293.3390 299.3114 104.3242 131.3734 556411.4158 -8.3807 -8.1962 PRESSURE: 3623400 -131.47 -82.4679 -118.056 -82.4669 -134.544 58.8797 -118.056 58.8788 3.37703 GPRESSURE: 3623400 -141.324 -66.2542 -170.92 -44.6912 -61.7913 142.597 -41.205 -27.2324 43.3291 PRESSAVG: 3623400 -62.5323 -0.515797 -9.50322 -0.515792 -14.3344 -4.95334 -9.50331 -4.95343 32.5892 GPRESSAVG: 3623400 -62.9851 -0.430436 -9.64342 -0.839318 -14.694 -3.274 -8.70525 -4.34107 33.591 TIMING: 3623400 CPU: 10902.9, 0.00302268/step Wall: 10902.9, 0.00302268/step, 1.15584 hours remaining, 211.000000 MB of memory in use. ENERGY: 3623400 742.9740 2137.9001 1934.9983 108.3995 -206329.3809 17846.8878 0.0000 0.0000 34233.3243 -149324.8970 298.9681 -183558.2213 -149231.6393 298.9885 -87.5458 -53.2619 558166.2544 -14.7592 -14.6960 PRESSURE: 3623600 121.958 -105.195 41.3864 -105.197 -268.274 -154.762 41.3875 -154.764 -25.7461 GPRESSURE: 3623600 135.1 -71.5758 -29.8867 -138.906 -175.43 -124.847 183.378 -145.463 -20.0972 PRESSAVG: 3623600 -14.2286 -44.3217 8.5906 -44.3218 16.1707 -4.94577 8.59049 -4.94576 -7.52577 GPRESSAVG: 3623600 -14.5823 -43.5936 7.15563 -44.6363 19.1919 -4.24673 11.8803 -6.53489 -9.83455 TIMING: 3623600 CPU: 10903.5, 0.00301746/step Wall: 10903.5, 0.00301746/step, 1.15368 hours remaining, 211.000000 MB of memory in use. ENERGY: 3623600 741.4008 2076.2687 1969.2042 119.4371 -206260.1558 17794.8007 0.0000 0.0000 34260.3762 -149298.6682 299.2044 -183559.0445 -149203.6489 299.2431 -57.3540 -20.1423 557213.0118 -1.8612 -1.7417 PRESSURE: 3623800 81.2623 87.6163 -137.684 87.6161 -8.28665 13.5508 -137.685 13.5504 -292.153 GPRESSURE: 3623800 155.509 110.521 -135.834 83.5313 -54.3317 -55.5766 -28.8924 20.5008 -217.855 PRESSAVG: 3623800 -34.328 9.08842 -30.3412 9.08844 -37.8816 18.8217 -30.3413 18.8219 43.5775 GPRESSAVG: 3623800 -34.2526 8.92645 -26.4403 11.2858 -39.2056 17.8637 -33.5523 19.6911 45.004 TIMING: 3623800 CPU: 10904.1, 0.0029954/step Wall: 10904.1, 0.0029954/step, 1.14507 hours remaining, 211.000000 MB of memory in use. ENERGY: 3623800 720.3605 2049.8338 1938.3054 108.8244 -206139.1828 17765.4306 0.0000 0.0000 34421.0516 -149135.3765 300.6076 -183556.4280 -149034.7720 299.3936 -73.0592 -38.8924 559710.4084 -9.5440 -9.4848 PRESSURE: 3624000 -58.9805 -175.628 165.23 -175.627 148.637 118.585 165.231 118.586 24.6678 GPRESSURE: 3624000 -37.5376 -59.6954 39.589 -181.991 203.236 91.5405 239.482 77.0994 41.6536 PRESSAVG: 3624000 -35.612 33.6381 -39.7023 33.6381 53.6819 19.9553 -39.7023 19.9552 19.3136 GPRESSAVG: 3624000 -36.7945 33.9816 -43.1728 34.6278 54.3678 18.6191 -40.0783 18.5024 19.9891 TIMING: 3624000 CPU: 10904.7, 0.0030257/step Wall: 10904.7, 0.0030257/step, 1.15649 hours remaining, 211.000000 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: 3624000 744.5065 2058.9184 1933.6639 114.2361 -206128.3575 17857.1379 0.0000 0.0000 34234.6077 -149185.2870 298.9793 -183419.8947 -149092.4323 299.5996 38.1080 69.1172 556845.7974 12.4611 12.5208 PRESSURE: 3624200 -79.1011 192.059 -46.0464 192.059 -86.604 -76.9685 -46.046 -76.9678 73.4206 GPRESSURE: 3624200 -74.397 35.3038 -59.2622 306.716 -27.6473 -151.91 -95.6289 -94.3603 101.531 PRESSAVG: 3624200 -13.7422 -46.8013 9.77022 -46.8013 7.87511 13.1933 9.77022 13.1933 10.4254 GPRESSAVG: 3624200 -12.7037 -47.8121 11.5537 -48.7152 7.06113 15.8221 11.4165 11.6144 10.5147 TIMING: 3624200 CPU: 10905.4, 0.00304803/step Wall: 10905.4, 0.00304803/step, 1.16486 hours remaining, 211.000000 MB of memory in use. ENERGY: 3624200 773.9859 2054.3874 1976.0376 114.3822 -206299.8300 17726.8409 0.0000 0.0000 34256.4694 -149397.7266 299.1703 -183654.1960 -149303.5021 299.5817 -30.7615 -0.1710 556338.7380 1.5195 1.6241 LDB: ============= START OF LOAD BALANCING ============== 10908.9 LDB: ============== END OF LOAD BALANCING =============== 10908.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10908.9 LDB: ============= START OF LOAD BALANCING ============== 10909.2 LDB: Largest compute 4773 load 0.030431 is 25.7% of average load 0.118184 LDB: Average compute 0.001724 is 1.5% of average load 0.118184 LDB: TIME 10909.2 LOAD: AVG 0.118184 MAX 0.21293 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.055 MB LDB: TIME 10909.2 LOAD: AVG 0.118184 MAX 0.21293 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.055 MB LDB: TIME 10909.2 LOAD: AVG 0.118184 MAX 0.21293 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.055 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10909.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10909.2 PRESSURE: 3624400 -45.8251 77.1469 -24.5718 77.1475 224.903 14.23 -24.5725 14.2309 -101.697 GPRESSURE: 3624400 31.2343 41.9057 26.6339 124.911 211.496 -3.28569 -26.8671 -14.0003 -76.6738 PRESSAVG: 3624400 -42.0072 6.87464 36.439 6.8746 8.77052 50.808 36.4391 50.808 4.15409 GPRESSAVG: 3624400 -41.2285 6.43985 36.9413 6.8212 7.98996 48.8314 33.7749 52.4761 4.32091 TIMING: 3624400 CPU: 10906, 0.00310316/step Wall: 10906, 0.00310316/step, 1.18575 hours remaining, 209.449219 MB of memory in use. ENERGY: 3624400 747.7122 2051.2215 1932.0025 119.1194 -206574.7535 18046.0054 0.0000 0.0000 34244.6421 -149434.0504 299.0670 -183678.6924 -149339.9922 299.2385 25.7938 55.3521 557800.8680 -9.6942 -9.6392 PRESSURE: 3624600 -316.612 -41.6547 12.4858 -41.6542 -246.948 -13.148 12.4863 -13.1488 -200.617 GPRESSURE: 3624600 -249.071 -10.802 70.0091 -25.3487 -259.06 -72.7114 -17.7364 14.6904 -148.524 PRESSAVG: 3624600 -30.1348 61.4887 54.8864 61.4888 -7.89027 -3.61037 54.8864 -3.61038 33.0498 GPRESSAVG: 3624600 -31.3396 63.8394 55.7836 60.946 -6.24026 -4.58139 56.4632 -2.67908 32.7569 TIMING: 3624600 CPU: 10906.6, 0.00297572/step Wall: 10906.6, 0.00297572/step, 1.13689 hours remaining, 209.449219 MB of memory in use. ENERGY: 3624600 744.0112 2064.1097 1928.8092 118.3712 -205917.1155 17414.4561 0.0000 0.0000 34024.2375 -149623.1205 297.1421 -183647.3580 -149526.8283 298.9530 -254.7259 -218.8848 557254.9969 -1.6584 -1.6077 PRESSURE: 3624800 -116.041 -110.205 116.417 -110.204 -206.816 5.7029 116.418 5.70273 120.194 GPRESSURE: 3624800 -68.4329 -60.1637 180.154 -105.408 -145.426 -7.75375 55.9397 61.9993 94.7308 PRESSAVG: 3624800 -12.2017 45.9762 39.4008 45.9761 20.6919 -45.121 39.4007 -45.121 -30.5 GPRESSAVG: 3624800 -12.3368 45.3562 37.7025 45.6748 20.0787 -43.7889 40.1293 -46.9817 -30.1921 TIMING: 3624800 CPU: 10907.2, 0.00300909/step Wall: 10907.2, 0.00300909/step, 1.14947 hours remaining, 209.449219 MB of memory in use. ENERGY: 3624800 742.8173 2033.4606 1908.2627 114.9042 -206406.5258 17709.1097 0.0000 0.0000 34215.7117 -149682.2595 298.8143 -183897.9712 -149587.7670 298.0109 -67.5544 -39.7093 555312.2879 -7.3366 -7.4834 PRESSURE: 3625000 15.1963 39.5826 138.886 39.5827 11.2593 -27.9816 138.887 -27.9823 59.7965 GPRESSURE: 3625000 49.1831 16.6243 124.512 36.633 73.5654 21.7958 156.179 -74.8916 51.0251 PRESSAVG: 3625000 70.954 62.1953 59.6546 62.1953 -37.7189 -52.4795 59.6545 -52.4796 -31.363 GPRESSAVG: 3625000 70.7819 63.3051 59.5029 61.0813 -38.6226 -54.8751 59.2003 -50.9563 -30.8848 TIMING: 3625000 CPU: 10907.8, 0.00299331/step Wall: 10907.8, 0.00299331/step, 1.14328 hours remaining, 209.449219 MB of memory in use. ENERGY: 3625000 740.1714 2067.3090 1927.7200 115.3144 -206781.2340 17941.8190 0.0000 0.0000 34268.7020 -149720.1982 299.2771 -183988.9002 -149627.4381 298.0085 28.7507 57.9245 557102.1290 0.6241 0.4248 PRESSURE: 3625200 -40.8923 -27.141 -84.6523 -27.1408 -147.248 139.265 -84.6542 139.264 -129.064 GPRESSURE: 3625200 -30.3748 19.4192 -147.443 -93.6004 -144.324 117.503 -24.7708 98.3846 -46.6365 PRESSAVG: 3625200 3.21343 -15.6704 16.3671 -15.6704 -41.8096 -3.75019 16.3671 -3.75026 44.1619 GPRESSAVG: 3625200 5.60404 -17.7861 16.3166 -13.5228 -42.9312 -2.89227 16.2584 -4.29924 43.169 TIMING: 3625200 CPU: 10908.4, 0.00301813/step Wall: 10908.4, 0.00301813/step, 1.15259 hours remaining, 209.449219 MB of memory in use. ENERGY: 3625200 719.0161 2137.2244 1911.6460 106.1562 -206160.3523 17672.5129 0.0000 0.0000 33909.4372 -149704.3595 296.1395 -183613.7967 -149609.5272 298.0292 -105.7345 -73.7784 558362.5232 1.8552 1.9473 PRESSURE: 3625400 -48.6028 -133.243 -143.298 -133.242 62.4432 36.6913 -143.299 36.6931 218.154 GPRESSURE: 3625400 1.84497 -92.8484 -63.1768 -132.481 65.8809 152.472 -195.238 81.7708 265.609 PRESSAVG: 3625400 13.8004 -33.2998 4.2488 -33.2998 -35.6373 28.7594 4.24884 28.7594 4.53695 GPRESSAVG: 3625400 10.3423 -34.122 5.41707 -33.9689 -33.4872 28.2652 3.87355 29.8394 5.21505 TIMING: 3625400 CPU: 10909, 0.00300059/step Wall: 10909, 0.00300059/step, 1.14573 hours remaining, 209.449219 MB of memory in use. ENERGY: 3625400 722.9464 2070.6572 1928.2593 111.4800 -206754.2037 18022.4673 0.0000 0.0000 34152.6717 -149745.7219 298.2638 -183898.3936 -149644.3469 297.9391 77.3316 111.1116 556884.2877 -5.7667 -5.9766 PRESSURE: 3625600 -220.033 7.49541 120.737 7.49488 -79.744 -75.6846 120.737 -75.6858 134.463 GPRESSURE: 3625600 -211.276 99.6955 58.5034 -28.8199 -16.0011 -169.161 172.284 -25.3493 145.215 PRESSAVG: 3625600 -37.1023 -24.37 -31.7994 -24.37 -7.75672 -5.47678 -31.7995 -5.47683 38.6152 GPRESSAVG: 3625600 -35.7042 -21.485 -32.6317 -24.9339 -8.77124 -4.31086 -29.064 -7.43659 37.9259 TIMING: 3625600 CPU: 10909.6, 0.0029879/step Wall: 10909.6, 0.0029879/step, 1.14071 hours remaining, 209.449219 MB of memory in use. ENERGY: 3625600 747.3399 2031.1836 1951.7642 118.5254 -206861.1656 17945.0118 0.0000 0.0000 34312.1433 -149755.1975 299.6565 -184067.3407 -149667.4292 297.5431 -55.1045 -27.3542 558012.3696 -2.0813 -2.1832 PRESSURE: 3625800 45.0745 134.56 90.5629 134.56 92.9138 -26.8657 90.5629 -26.8653 186.989 GPRESSURE: 3625800 46.9522 184.518 118.302 54.0309 128.743 55.0247 74.7171 -30.1295 249.361 PRESSAVG: 3625800 22.9438 -24.3104 9.41701 -24.3103 -10.7209 10.1969 9.41705 10.1969 25.6877 GPRESSAVG: 3625800 21.7842 -29.2851 10.0784 -22.6765 -10.2781 9.27593 6.50011 12.0794 26.6282 TIMING: 3625800 CPU: 10910.2, 0.00297077/step Wall: 10910.2, 0.00297077/step, 1.13401 hours remaining, 209.449219 MB of memory in use. ENERGY: 3625800 738.9294 2045.1846 1949.3735 121.8710 -206688.1021 18037.9051 0.0000 0.0000 34155.2326 -149639.6060 298.2861 -183794.8386 -149537.8282 298.0369 108.3257 141.6852 557220.8786 12.6369 12.7114 PRESSURE: 3626000 -92.5388 -33.1834 -151.456 -33.1837 -46.3925 92.9821 -151.456 92.9815 26.9144 GPRESSURE: 3626000 -47.8835 -13.1717 -160.046 -42.8399 -0.105284 40.1392 -118.91 64.7516 37.8425 PRESSAVG: 3626000 -48.0773 8.79854 27.3246 8.79862 -7.12478 -4.44309 27.3247 -4.44313 -9.91043 GPRESSAVG: 3626000 -47.5306 12.2973 25.8962 7.78393 -7.55606 -4.61343 30.4064 -6.37355 -9.76724 TIMING: 3626000 CPU: 10910.8, 0.00296486/step Wall: 10910.8, 0.00296486/step, 1.13159 hours remaining, 209.449219 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: 3626000 747.2611 2059.3460 1911.4524 113.7092 -206571.1229 17881.2175 0.0000 0.0000 34228.7602 -149629.3766 298.9283 -183858.1369 -149531.4251 298.1009 -37.3390 -3.3821 556951.9637 -21.7042 -21.6180 PRESSURE: 3626200 162.248 -36.9618 135.097 -36.9626 29.0987 -6.99631 135.097 -6.99643 -25.0275 GPRESSURE: 3626200 208.934 -85.0344 109.033 -34.2418 69.1038 33.5329 108.725 -11.1911 -4.17412 PRESSAVG: 3626200 -29.5558 9.00375 -34.0972 9.00377 30.5637 30.7052 -34.0972 30.7051 -5.58693 GPRESSAVG: 3626200 -28.8156 7.52518 -32.9493 10.419 30.5262 31.8078 -35.3897 30.2125 -7.30964 TIMING: 3626200 CPU: 10911.4, 0.00297669/step Wall: 10911.4, 0.00297669/step, 1.13594 hours remaining, 209.449219 MB of memory in use. ENERGY: 3626200 724.0084 2123.6899 1916.7171 99.1553 -206268.0756 17954.2993 0.0000 0.0000 33994.4746 -149455.7310 296.8822 -183450.2056 -149355.6769 298.5383 55.4399 91.2880 556768.7094 -1.5263 -1.8664 PRESSURE: 3626400 -69.2796 -23.9969 102.106 -23.9964 430.87 122.245 102.107 122.245 252.971 GPRESSURE: 3626400 -34.0934 39.2651 133.1 -98.7763 497.932 67.3337 113.995 117.83 242.708 PRESSAVG: 3626400 -35.1283 -1.84332 21.428 -1.84336 61.1982 -25.7964 21.4279 -25.7965 -7.94946 GPRESSAVG: 3626400 -35.528 0.315829 23.3848 -4.91375 59.6266 -25.8756 19.1895 -24.5074 -6.07519 TIMING: 3626400 CPU: 10911.9, 0.00299467/step Wall: 10911.9, 0.00299467/step, 1.14263 hours remaining, 209.449219 MB of memory in use. ENERGY: 3626400 741.9703 2050.4016 1938.1687 126.2477 -206901.4387 18233.1804 0.0000 0.0000 34134.2272 -149677.2429 298.1027 -183811.4701 -149572.7381 299.1050 204.8538 235.5155 555490.2212 6.0402 6.0078 PRESSURE: 3626600 -264.018 -86.9292 -104.579 -86.9287 45.8732 -43.98 -104.579 -43.9803 43.182 GPRESSURE: 3626600 -226.127 -138.623 -174.759 -66.8322 75.7458 -25.2866 -78.2718 -89.9622 77.6655 PRESSAVG: 3626600 -65.7417 -30.5205 -24.3769 -30.5205 109.864 15.2418 -24.377 15.2417 -48.1566 GPRESSAVG: 3626600 -65.9759 -31.4102 -27.3018 -28.5045 110.233 14.8436 -22.1625 15.9684 -48.2746 TIMING: 3626600 CPU: 10912.6, 0.00300505/step Wall: 10912.6, 0.00300505/step, 1.14643 hours remaining, 209.449219 MB of memory in use. ENERGY: 3626600 740.0656 2042.2130 1971.7982 113.2021 -206640.6264 17939.8032 0.0000 0.0000 34289.9178 -149543.6265 299.4624 -183833.5443 -149445.6729 299.0332 -58.3208 -24.2384 556932.5198 -1.3446 -1.3391 PRESSURE: 3626800 96.9073 -166.787 -196.841 -166.789 -360.542 13.5777 -196.84 13.5787 -1.33202 GPRESSURE: 3626800 104.935 -210.993 -140.934 -161.245 -334.541 30.9984 -220.346 0.0897072 64.357 PRESSAVG: 3626800 8.45038 -9.40997 -43.244 -9.41007 -9.45035 -50.1928 -43.244 -50.1928 20.7519 GPRESSAVG: 3626800 8.79559 -9.01643 -42.39 -10.9771 -8.69744 -51.6404 -44.4186 -48.182 19.7269 TIMING: 3626800 CPU: 10913.1, 0.00299632/step Wall: 10913.1, 0.00299632/step, 1.14293 hours remaining, 209.449219 MB of memory in use. ENERGY: 3626800 747.4187 2051.6342 1939.1644 127.5443 -206584.7195 17740.0095 0.0000 0.0000 34387.6864 -149591.2621 300.3162 -183978.9484 -149497.2161 299.1652 -88.3222 -55.0829 556531.3319 6.5840 6.6084 PRESSURE: 3627000 197.173 -92.4339 180.049 -92.4329 229.679 198.354 180.05 198.355 -47.6369 GPRESSURE: 3627000 268.744 -13.4293 152.826 -130.609 231.182 210.359 139.058 207.986 -13.1148 PRESSAVG: 3627000 20.5349 -18.415 -11.6088 -18.415 -27.9515 43.9774 -11.6088 43.9774 24.542 GPRESSAVG: 3627000 20.9419 -17.9562 -14.5088 -16.3194 -27.8362 45.4086 -9.66226 43.0325 23.7235 TIMING: 3627000 CPU: 10913.8, 0.00303701/step Wall: 10913.8, 0.00303701/step, 1.15828 hours remaining, 209.449219 MB of memory in use. ENERGY: 3627000 737.6927 2022.3526 1955.5115 113.5453 -206833.9499 18125.0914 0.0000 0.0000 34083.3748 -149796.3816 297.6586 -183879.7563 -149699.7563 298.1335 126.4047 162.2704 556531.5090 5.7085 5.6097 PRESSURE: 3627200 110.826 44.9872 -107.468 44.9878 -240.707 16.4045 -107.467 16.4056 23.099 GPRESSURE: 3627200 160.864 94.6396 -49.3284 -15.523 -252.791 154.313 -106.066 -176.419 82.8718 PRESSAVG: 3627200 8.33348 -39.3787 19.7024 -39.3786 18.9726 89.2782 19.7023 89.2782 -13.6619 GPRESSAVG: 3627200 8.20848 -40.4114 22.5371 -41.0765 17.8349 89.5193 19.8063 88.5832 -12.6699 TIMING: 3627200 CPU: 10914.4, 0.00301953/step Wall: 10914.4, 0.00301953/step, 1.15145 hours remaining, 209.449219 MB of memory in use. ENERGY: 3627200 760.3279 2071.1260 1948.7022 96.6006 -206678.2449 17991.9081 0.0000 0.0000 33960.2128 -149849.3674 296.5830 -183809.5802 -149751.3382 297.7674 -35.5939 -3.0185 556840.2441 4.5481 4.4578 PRESSURE: 3627400 -3.67259 101.493 71.7674 101.493 8.26966 -102.617 71.767 -102.617 -279.027 GPRESSURE: 3627400 34.9688 0.434954 76.6027 190.879 11.3105 -29.4835 61.4254 -64.3385 -224.334 PRESSAVG: 3627400 90.9151 -1.43177 -11.6385 -1.43173 -63.7485 38.7807 -11.6385 38.7806 -27.9748 GPRESSAVG: 3627400 89.2771 -0.118665 -13.8995 -1.28656 -62.3305 37.2272 -10.6799 39.8772 -27.6038 TIMING: 3627400 CPU: 10915, 0.0030011/step Wall: 10915, 0.0030011/step, 1.14425 hours remaining, 209.449219 MB of memory in use. ENERGY: 3627400 740.2178 2053.1504 1927.2200 123.8727 -206585.6786 17728.9566 0.0000 0.0000 34148.8986 -149863.3625 298.2308 -184012.2611 -149768.2259 297.5485 -91.4767 -59.3516 557422.9413 -0.2694 -0.2191 PRESSURE: 3627600 327.724 -89.5904 -45.0916 -89.5898 -52.9185 122.94 -45.0934 122.937 310.557 GPRESSURE: 3627600 302.688 -85.0627 -59.1905 -67.9746 21.6422 124.875 -52.3563 55.8487 361.395 PRESSAVG: 3627600 -29.0836 2.97773 -16.2156 2.9777 -25.6883 -22.2172 -16.2156 -22.2172 33.9754 GPRESSAVG: 3627600 -28.1804 1.71748 -16.3927 3.5462 -26.34 -21.5493 -18.4064 -22.1778 34 TIMING: 3627600 CPU: 10915.6, 0.00298239/step Wall: 10915.6, 0.00298239/step, 1.13695 hours remaining, 209.449219 MB of memory in use. ENERGY: 3627600 729.3166 2095.4145 1936.8997 104.6028 -206583.9299 18137.7214 0.0000 0.0000 33950.7327 -149629.2422 296.5002 -183579.9750 -149529.0948 297.4510 195.1209 228.5751 558329.8174 -6.9322 -6.8402 PRESSURE: 3627800 -55.1245 -94.1313 -129.964 -94.1311 8.91003 -122.126 -129.961 -122.126 -243.252 GPRESSURE: 3627800 -49.0818 -28.7393 -94.5555 -125.743 51.584 -44.0576 -114.133 -120.278 -191.701 PRESSAVG: 3627800 32.9515 9.23589 -4.89202 9.23595 10.2708 -25.9929 -4.89202 -25.9928 -20 GPRESSAVG: 3627800 33.2058 9.06602 -3.70769 9.67735 9.47009 -25.625 -3.91523 -27.3933 -19.252 TIMING: 3627800 CPU: 10916.2, 0.00300315/step Wall: 10916.2, 0.00300315/step, 1.1447 hours remaining, 209.449219 MB of memory in use. ENERGY: 3627800 755.3558 2034.4013 1951.6640 105.5522 -206610.5230 17845.4127 0.0000 0.0000 34129.0871 -149789.0500 298.0578 -183918.1370 -149702.3801 297.4450 -96.4888 -63.0663 558842.2410 7.7407 7.8080 PRESSURE: 3628000 -194.075 -110.436 23.0584 -110.436 -146.378 17.1554 23.0573 17.156 -83.5149 GPRESSURE: 3628000 -156.58 -152.651 77.6334 -22.6163 -120.466 7.15185 -2.02099 70.0993 -50.6459 PRESSAVG: 3628000 19.6911 -61.3145 -14.469 -61.3144 22.0409 9.7168 -14.4691 9.71672 -59.9045 GPRESSAVG: 3628000 19.0911 -60.7366 -11.6917 -59.5168 23.9107 9.77118 -16.3847 11.1408 -61.8186 TIMING: 3628000 CPU: 10916.8, 0.00301466/step Wall: 10916.8, 0.00301466/step, 1.14892 hours remaining, 209.574219 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: 3628000 739.3652 2012.0853 1930.3996 114.5992 -206486.1583 17859.4422 0.0000 0.0000 34162.8603 -149667.4065 298.3528 -183830.2668 -149572.1201 298.0796 -141.3227 -109.2307 559445.9286 -6.0575 -6.2723 PRESSURE: 3628200 50.4855 80.7978 83.1729 80.7982 -85.8323 16.0672 83.1745 16.0685 20.9483 GPRESSURE: 3628200 30.5238 5.49109 66.8028 233.2 7.68998 10.0711 96.5784 28.2793 40.2494 PRESSAVG: 3628200 -12.258 7.24193 10.5543 7.24199 42.5946 27.5155 10.5544 27.5154 41.9643 GPRESSAVG: 3628200 -11.3182 6.25123 8.21471 5.69094 41.5711 28.1899 10.5227 27.1951 42.1803 TIMING: 3628200 CPU: 10917.4, 0.00300544/step Wall: 10917.4, 0.00300544/step, 1.14524 hours remaining, 209.710938 MB of memory in use. ENERGY: 3628200 730.8255 2091.8143 1935.4519 114.5079 -206319.5850 17893.0874 0.0000 0.0000 34092.6585 -149461.2395 297.7397 -183553.8980 -149357.9679 298.4042 -4.7995 26.1544 559017.3168 24.1003 24.1444 LDB: ============= START OF LOAD BALANCING ============== 10920.9 LDB: ============== END OF LOAD BALANCING =============== 10920.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10920.9 LDB: ============= START OF LOAD BALANCING ============== 10921.2 LDB: Largest compute 4773 load 0.030415 is 25.7% of average load 0.118218 LDB: Average compute 0.001730 is 1.5% of average load 0.118218 LDB: TIME 10921.2 LOAD: AVG 0.118218 MAX 0.210864 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.438 MB LDB: TIME 10921.2 LOAD: AVG 0.118218 MAX 0.210864 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.641 MB LDB: TIME 10921.2 LOAD: AVG 0.118218 MAX 0.210864 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.641 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10921.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10921.2 PRESSURE: 3628400 -67.1482 223.97 19.5553 223.971 -68.8647 -29.5823 19.5551 -29.5834 -1.51492 GPRESSURE: 3628400 -34.4749 245.575 28.4302 207.602 -29.3899 -45.0596 -33.9853 13.2446 29.1155 PRESSAVG: 3628400 8.71311 39.2961 -1.30032 39.2961 7.66746 6.89484 -1.30025 6.89496 -24.0727 GPRESSAVG: 3628400 9.36602 39.5612 -1.57579 40.3509 6.96386 4.60483 0.199551 7.89765 -23.6821 TIMING: 3628400 CPU: 10918, 0.00307208/step Wall: 10918, 0.00307208/step, 1.17046 hours remaining, 210.480469 MB of memory in use. ENERGY: 3628400 742.0623 2094.9050 1938.4953 121.3808 -206565.8490 18029.4381 0.0000 0.0000 34296.9723 -149342.5952 299.5240 -183639.5675 -149251.0082 298.6688 -45.8426 -11.5831 557696.4572 -2.5640 -2.4507 PRESSURE: 3628600 -62.8445 -128.849 -112.871 -128.849 -147.274 -1.09303 -112.869 -1.09311 172.615 GPRESSURE: 3628600 -12.3099 -163.759 6.79238 -131.432 -178.866 39.9771 -93.3786 18.5882 261.602 PRESSAVG: 3628600 15.9647 -0.441697 35.7502 -0.441777 -24.7917 32.1816 35.7502 32.1816 -1.23981 GPRESSAVG: 3628600 13.9147 1.92891 36.1074 -2.83094 -23.8028 32.4894 35.5041 32.0899 -0.374794 TIMING: 3628600 CPU: 10918.6, 0.00304518/step Wall: 10918.6, 0.00304518/step, 1.16004 hours remaining, 210.480469 MB of memory in use. ENERGY: 3628600 730.9551 2028.8427 1930.8980 110.4837 -206473.3197 17903.2737 0.0000 0.0000 34253.6576 -149515.2089 299.1457 -183768.8665 -149415.0414 298.3275 -12.5012 23.4756 557901.3072 -3.3556 -3.4210 PRESSURE: 3628800 -276.826 -130.113 -75.5277 -130.113 -88.0878 -144.437 -75.5275 -144.436 -89.2326 GPRESSURE: 3628800 -273.404 -143.789 -83.3509 -98.0034 -13.984 -80.8591 2.41852 -159.436 -75.7785 PRESSAVG: 3628800 21.117 -9.18528 -5.77139 -9.18523 -16.0414 9.51203 -5.77134 9.51208 25.5927 GPRESSAVG: 3628800 22.084 -10.2703 -6.02752 -8.20731 -16.3561 9.31094 -5.98102 8.9004 24.1771 TIMING: 3628800 CPU: 10919.2, 0.00300318/step Wall: 10919.2, 0.00300318/step, 1.14388 hours remaining, 210.480469 MB of memory in use. ENERGY: 3628800 751.0949 2017.0629 1964.8216 116.1097 -206018.4716 17520.2005 0.0000 0.0000 34194.6339 -149454.5481 298.6302 -183649.1820 -149358.7815 298.0653 -151.3820 -121.0556 557644.0941 10.2228 9.9683 PRESSURE: 3629000 -175.835 111.881 103.691 111.881 149.042 88.9818 103.689 88.982 -23.1103 GPRESSURE: 3629000 -116.591 170.867 117.723 82.4309 191.449 50.1331 71.1702 71.4717 -20.6814 PRESSAVG: 3629000 -57.9516 -8.05964 78.9096 -8.05967 24.744 22.6806 78.9097 22.6806 13.7048 GPRESSAVG: 3629000 -59.3428 -5.89579 79.1407 -9.02906 25.5975 23.6827 76.6715 22.4103 14.1728 TIMING: 3629000 CPU: 10919.8, 0.00298508/step Wall: 10919.8, 0.00298508/step, 1.13682 hours remaining, 210.480469 MB of memory in use. ENERGY: 3629000 749.9374 2107.3163 1923.2841 103.1215 -206739.7442 17942.1649 0.0000 0.0000 34276.3646 -149637.5555 299.3440 -183913.9200 -149546.7487 297.8939 -16.6344 18.0590 557388.9399 -6.5009 -6.5241 PRESSURE: 3629200 128.861 -101.16 -19.9642 -101.161 377.579 -79.4121 -19.9646 -79.412 141.569 GPRESSURE: 3629200 145.788 -51.3648 15.3245 -136.779 433.908 -187.112 9.58644 -68.064 168.978 PRESSAVG: 3629200 -13.0158 -32.4032 22.3541 -32.4033 -26.6636 -28.8206 22.3541 -28.8207 11.3546 GPRESSAVG: 3629200 -12.1376 -34.7396 22.0241 -32.2826 -27.5259 -29.504 24.07 -28.4334 11.0598 TIMING: 3629200 CPU: 10920.4, 0.00299258/step Wall: 10920.4, 0.00299258/step, 1.13951 hours remaining, 210.480469 MB of memory in use. ENERGY: 3629200 766.2011 2082.1841 1928.1169 124.6742 -207025.6628 18098.1804 0.0000 0.0000 34268.6136 -149757.6925 299.2763 -184026.3061 -149656.9829 297.6897 216.0031 249.5578 554056.1461 -9.4416 -9.5345 PRESSURE: 3629400 179.258 244.971 -62.4063 244.972 229.23 58.8193 -62.4061 58.8194 -385.933 GPRESSURE: 3629400 226.595 176.217 -65.2975 227.981 240.531 96.6826 -96.4443 5.58299 -360.813 PRESSAVG: 3629400 79.4853 -7.99446 3.3637 -7.99445 -33.3945 9.38578 3.36368 9.38574 -27.5107 GPRESSAVG: 3629400 77.9812 -7.55368 3.37 -6.95734 -34.6542 9.62406 1.52073 7.72199 -25.342 TIMING: 3629400 CPU: 10921, 0.00300005/step Wall: 10921, 0.00300005/step, 1.14219 hours remaining, 210.480469 MB of memory in use. ENERGY: 3629400 693.8263 2062.5176 1939.3179 114.3755 -205969.3116 17485.9685 0.0000 0.0000 34152.7891 -149520.5168 298.2648 -183673.3058 -149426.9059 297.5392 7.5183 35.4374 556673.6337 6.1934 5.9950 PRESSURE: 3629600 7.50852 -109.807 0.596945 -109.808 -74.2007 -10.161 0.596786 -10.1605 145.125 GPRESSURE: 3629600 14.4026 -92.1138 50.1039 -108.789 -74.2777 73.3057 -23.1649 -70.8564 226.902 PRESSAVG: 3629600 25.1336 20.2277 -20.3117 20.2277 18.7379 -35.1843 -20.3118 -35.1843 -21.3096 GPRESSAVG: 3629600 26.3962 19.6928 -21.0547 18.6163 19.3743 -33.6423 -16.9174 -35.0773 -22.965 TIMING: 3629600 CPU: 10921.6, 0.00302003/step Wall: 10921.6, 0.00302003/step, 1.14963 hours remaining, 210.480469 MB of memory in use. ENERGY: 3629600 742.2713 2057.5441 1919.0202 105.1495 -206243.2011 17839.7676 0.0000 0.0000 34198.1015 -149381.3469 298.6605 -183579.4484 -149283.2604 298.3627 26.1444 55.6757 557316.1956 7.5206 7.6019 PRESSURE: 3629800 -163.833 -63.4937 -88.4315 -63.4941 -3.14242 112.876 -88.4307 112.875 -228.815 GPRESSURE: 3629800 -104.141 -120.73 -122.082 -75.734 15.2108 173.194 -117.834 79.0072 -212.663 PRESSAVG: 3629800 -35.6007 -48.6146 -28.3023 -48.6145 8.62582 48.3294 -28.3024 48.3295 48.0907 GPRESSAVG: 3629800 -35.9381 -48.4062 -27.2818 -47.4953 9.28263 46.374 -30.2072 48.4371 48.1319 TIMING: 3629800 CPU: 10922.2, 0.00301319/step Wall: 10922.2, 0.00301319/step, 1.14685 hours remaining, 210.480469 MB of memory in use. ENERGY: 3629800 705.4792 2096.8871 1920.1374 115.8845 -205731.0285 17551.6759 0.0000 0.0000 34043.9855 -149296.9790 297.3146 -183340.9644 -149197.3294 298.2661 -131.9301 -100.5310 557899.6889 7.0386 7.1588 PRESSURE: 3630000 162.854 -201.964 -110.019 -201.963 -0.787825 -162.926 -110.021 -162.926 55.7202 GPRESSURE: 3630000 195.981 -233.92 -55.5334 -182.2 44.5187 -100.428 -115.698 -127.383 78.1309 PRESSAVG: 3630000 27.0483 3.03835 -29.0565 3.0383 -35.345 -3.52181 -29.0566 -3.52174 60.7319 GPRESSAVG: 3630000 27.7233 4.12634 -27.4721 0.982932 -35.9006 -2.90937 -28.4128 -2.03616 60.3771 TIMING: 3630000 CPU: 10922.8, 0.0029963/step Wall: 10922.8, 0.0029963/step, 1.14026 hours remaining, 210.480469 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: 3630000 737.1123 2105.0608 1943.9187 120.3775 -206362.4518 17934.9466 0.0000 0.0000 34162.5403 -149358.4957 298.3500 -183521.0359 -149256.0889 299.0225 72.5956 106.2102 556704.0020 17.4784 17.3999 PRESSURE: 3630200 -74.2953 49.5654 -95.9852 49.5662 -165.215 3.90381 -95.9853 3.9038 -84.4165 GPRESSURE: 3630200 -31.9121 67.0747 -130.317 95.9864 -163.784 11.981 -88.9928 66.6751 -31.7263 PRESSAVG: 3630200 -8.20438 -32.5207 -20.3856 -32.5207 -69.2829 -16.1004 -20.3856 -16.1004 84.1734 GPRESSAVG: 3630200 -7.2477 -32.0873 -19.4479 -33.1488 -68.9801 -15.54 -23.6823 -16.8839 82.4054 TIMING: 3630200 CPU: 10923.4, 0.00302469/step Wall: 10923.4, 0.00302469/step, 1.15089 hours remaining, 210.480469 MB of memory in use. ENERGY: 3630200 770.5936 2084.7187 1950.9807 110.4521 -206325.0413 17654.6772 0.0000 0.0000 34405.0520 -149348.5669 300.4679 -183753.6189 -149248.8057 299.4225 -107.9754 -75.8073 557568.0887 2.2287 2.0592 PRESSURE: 3630400 222.252 -146.157 61.3284 -146.157 156.02 72.1156 61.3277 72.1144 188.42 GPRESSURE: 3630400 227.238 -63.7358 107.987 -98.6965 208.888 34.6777 104.006 0.926905 217.074 PRESSAVG: 3630400 -1.07105 -9.00869 14.9784 -9.00867 -26.7846 5.9078 14.9784 5.90784 6.13499 GPRESSAVG: 3630400 -2.64753 -10.1393 13.1504 -6.66938 -26.3879 5.01225 18.0127 6.12861 6.67516 TIMING: 3630400 CPU: 10924, 0.00300596/step Wall: 10924, 0.00300596/step, 1.1436 hours remaining, 210.480469 MB of memory in use. ENERGY: 3630400 735.5853 2058.9338 1919.1758 105.2811 -206454.9919 18001.4387 0.0000 0.0000 34510.7611 -149123.8161 301.3911 -183634.5772 -149026.1303 299.5046 188.8974 217.7336 558197.2886 -7.2402 -7.4534 PRESSURE: 3630600 22.9982 -170.109 -55.3429 -170.108 -77.331 31.0073 -55.3431 31.0074 172.252 GPRESSURE: 3630600 44.383 -155.842 -37.3745 -87.2122 -89.0777 48.9024 -94.4957 4.53161 261.548 PRESSAVG: 3630600 -15.6561 -25.2203 -17.5699 -25.2203 38.9309 -20.0123 -17.5699 -20.0124 1.82948 GPRESSAVG: 3630600 -14.9387 -25.5415 -17.571 -25.0933 38.2772 -21.2137 -17.2876 -20.8025 1.71083 TIMING: 3630600 CPU: 10924.6, 0.00303609/step Wall: 10924.6, 0.00303609/step, 1.15489 hours remaining, 210.480469 MB of memory in use. ENERGY: 3630600 723.9540 2087.1041 1913.1386 106.9775 -206037.4377 17802.1980 0.0000 0.0000 34181.0053 -149223.0603 298.5112 -183404.0656 -149123.1548 299.0383 39.3064 72.2845 558406.4482 8.3681 8.3498 PRESSURE: 3630800 -41.745 -88.283 -151.341 -88.282 211.584 -73.4438 -151.341 -73.4444 131.772 GPRESSURE: 3630800 2.81819 -79.631 -163.391 -100.348 216.736 -66.6642 -198.62 -74.8544 177.028 PRESSAVG: 3630800 37.3445 -30.2487 -28.8702 -30.2488 -32.8351 4.66966 -28.8702 4.66973 2.4469 GPRESSAVG: 3630800 37.8581 -29.565 -28.7499 -30.8369 -33.1043 5.93676 -28.2662 2.89705 2.21319 TIMING: 3630800 CPU: 10925.2, 0.00303913/step Wall: 10925.2, 0.00303913/step, 1.15588 hours remaining, 210.480469 MB of memory in use. ENERGY: 3630800 741.4192 2085.5008 1938.0839 112.9223 -206551.6600 18039.6693 0.0000 0.0000 34156.4426 -149477.6220 298.2967 -183634.0646 -149381.0006 298.7998 100.5369 132.1942 557567.7181 2.3187 2.3223 PRESSURE: 3631000 -18.434 -57.109 -40.1685 -57.1087 234.779 -15.1738 -40.1686 -15.1729 -183.011 GPRESSURE: 3631000 68.8421 -30.9555 -84.0747 -44.7486 210.931 -128.851 2.90936 -44.7109 -156.218 PRESSAVG: 3631000 -2.03296 7.26986 -43.5189 7.26987 14.2029 -2.08479 -43.5188 -2.08487 -5.08137 GPRESSAVG: 3631000 -3.33971 7.22983 -44.9557 8.5996 15.5729 -1.55859 -43.7857 -0.747345 -4.5936 TIMING: 3631000 CPU: 10925.8, 0.00301687/step Wall: 10925.8, 0.00301687/step, 1.14725 hours remaining, 210.480469 MB of memory in use. ENERGY: 3631000 699.9912 2124.6861 1924.4590 118.0898 -206334.2549 17948.6679 0.0000 0.0000 34190.5260 -149327.8349 298.5944 -183518.3608 -149225.4869 298.2832 11.1115 41.1851 560442.4305 2.3629 2.5465 PRESSURE: 3631200 32.7873 4.7871 42.4475 4.78581 30.9589 -117.75 42.4465 -117.75 78.5253 GPRESSURE: 3631200 58.222 19.6808 -119.009 52.4985 54.3588 -163.792 106.326 -71.0613 113.288 PRESSAVG: 3631200 64.4072 58.5666 -58.3404 58.5666 -9.19332 63.9982 -58.3403 63.9982 -100.699 GPRESSAVG: 3631200 65.5664 58.9644 -57.3154 58.3967 -9.21594 63.7499 -58.693 64.7475 -101.661 TIMING: 3631200 CPU: 10926.4, 0.00300374/step Wall: 10926.4, 0.00300374/step, 1.14209 hours remaining, 210.480469 MB of memory in use. ENERGY: 3631200 732.3380 2084.0971 1948.0892 106.7817 -206303.5363 17907.0945 0.0000 0.0000 34189.6976 -149335.4382 298.5871 -183525.1358 -149230.1423 298.1419 47.4238 75.2897 558718.5128 -15.1618 -15.1036 PRESSURE: 3631400 -19.8004 48.7013 79.3824 48.7019 -43.0576 157.929 79.382 157.928 329.986 GPRESSURE: 3631400 24.3054 57.2276 35.9221 61.6325 -34.5434 201.068 2.13731 180.844 373.78 PRESSAVG: 3631400 25.0262 34.7983 -28.7203 34.7983 -73.7918 49.0397 -28.7203 49.0398 17.7787 GPRESSAVG: 3631400 24.283 33.7748 -29.6064 34.1267 -73.8439 48.8067 -30.6001 48.2027 18.9205 TIMING: 3631400 CPU: 10927, 0.00299802/step Wall: 10927, 0.00299802/step, 1.13975 hours remaining, 210.480469 MB of memory in use. ENERGY: 3631400 767.8999 1986.3791 1931.7655 127.6990 -206336.6094 18004.9194 0.0000 0.0000 34233.4927 -149284.4538 298.9696 -183517.9465 -149185.7575 298.9168 89.0428 121.1806 557175.9118 -10.3289 -10.2134 PRESSURE: 3631600 -30.7567 -54.4931 -56.711 -54.494 -56.7244 131.978 -56.712 131.977 -41.0399 GPRESSURE: 3631600 -5.61467 13.2785 -34.7652 -84.7726 -39.7087 196.083 -58.3169 112.163 18.3991 PRESSAVG: 3631600 25.2607 45.2719 39.281 45.272 -92.3982 54.756 39.281 54.756 54.7664 GPRESSAVG: 3631600 25.8561 45.4886 40.6924 46.0291 -92.374 55.2067 40.94 55.3928 54.6985 TIMING: 3631600 CPU: 10927.6, 0.00299107/step Wall: 10927.6, 0.00299107/step, 1.13694 hours remaining, 210.480469 MB of memory in use. ENERGY: 3631600 724.2193 2054.9514 1927.7951 115.1137 -206018.1634 17723.6925 0.0000 0.0000 34214.2088 -149258.1826 298.8012 -183472.3913 -149160.7571 298.6108 -42.8403 -8.9748 558130.3212 -4.1237 -3.9398 PRESSURE: 3631800 9.74425 120.441 184.294 120.441 260.76 33.8269 184.295 33.8272 117.68 GPRESSURE: 3631800 50.241 145.083 128.301 103.827 350.965 33.6895 109.722 -22.1742 76.1671 PRESSAVG: 3631800 10.9269 -12.9796 35.553 -12.9797 -39.0176 2.01369 35.553 2.0137 29.4882 GPRESSAVG: 3631800 10.4285 -10.937 33.6876 -14.685 -38.2363 1.90271 34.9332 -0.201355 29.3709 TIMING: 3631800 CPU: 10928.2, 0.00299599/step Wall: 10928.2, 0.00299599/step, 1.13864 hours remaining, 210.480469 MB of memory in use. ENERGY: 3631800 725.3105 2092.8934 1977.2206 122.4988 -205979.8763 17800.3483 0.0000 0.0000 34107.7450 -149153.8597 297.8714 -183261.6047 -149057.7664 298.7978 129.3948 159.1245 557350.9259 0.4658 0.5210 PRESSURE: 3632000 -226.11 52.8525 85.166 52.8511 -72.9268 158.595 85.1657 158.596 27.6982 GPRESSURE: 3632000 -184.679 76.4509 50.2781 73.5182 -29.9179 137.048 82 129.834 37.0493 PRESSAVG: 3632000 2.31096 -15.659 34.56 -15.659 10.3967 62.1892 34.56 62.1891 -25.7545 GPRESSAVG: 3632000 2.61158 -16.746 34.2862 -15.085 10.806 63.65 36.307 61.5557 -25.8827 TIMING: 3632000 CPU: 10928.8, 0.00298825/step Wall: 10928.8, 0.00298825/step, 1.13554 hours remaining, 210.550781 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: 3632000 769.8333 2089.1752 1920.2224 109.7791 -206416.9331 17746.0986 0.0000 0.0000 34464.8705 -149316.9541 300.9903 -183781.8246 -149214.5527 299.2572 -90.4461 -59.1825 556936.9580 -4.3490 -4.1550 PRESSURE: 3632200 -258.924 45.9504 139.378 45.9502 -334.624 -147.427 139.379 -147.428 -138.457 GPRESSURE: 3632200 -265.323 -2.93628 150.314 55.8654 -294.429 -135.214 192.353 -232.787 -76.3498 PRESSAVG: 3632200 -3.87204 -0.515473 50.1041 -0.515529 -78.9907 36.165 50.1041 36.1651 58.9556 GPRESSAVG: 3632200 -3.47179 -1.51642 53.0851 -1.10847 -79.424 33.4846 47.0688 39.0976 58.9146 TIMING: 3632200 CPU: 10929.4, 0.00300154/step Wall: 10929.4, 0.00300154/step, 1.14042 hours remaining, 210.550781 MB of memory in use. ENERGY: 3632200 789.5093 2155.6195 1938.1145 126.1327 -205778.6173 17458.7207 0.0000 0.0000 34089.5810 -149220.9396 297.7128 -183310.5206 -149130.4356 299.1567 -244.0020 -212.0338 558008.9687 -7.9691 -7.9937 LDB: ============= START OF LOAD BALANCING ============== 10932.9 LDB: ============== END OF LOAD BALANCING =============== 10932.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10932.9 LDB: ============= START OF LOAD BALANCING ============== 10933.2 LDB: Largest compute 4802 load 0.030244 is 25.6% of average load 0.118211 LDB: Average compute 0.001718 is 1.5% of average load 0.118211 LDB: TIME 10933.2 LOAD: AVG 0.118211 MAX 0.2081 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.41 MB LDB: TIME 10933.2 LOAD: AVG 0.118211 MAX 0.2081 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.48 MB LDB: TIME 10933.2 LOAD: AVG 0.118211 MAX 0.2081 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.48 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10933.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10933.2 PRESSURE: 3632400 16.6659 -128.93 -79.7566 -128.93 47.7668 -32.0832 -79.7562 -32.0838 130.635 GPRESSURE: 3632400 20.0502 -140.463 -203.632 -56.9888 92.1499 -44.0907 -21.8855 56.9477 175.085 PRESSAVG: 3632400 0.262325 26.4662 19.9592 26.4662 -30.9064 0.824243 19.9593 0.824214 12.073 GPRESSAVG: 3632400 0.21147 24.6831 19.1573 28.3507 -31.3296 2.26303 21.5085 -1.2331 11.9165 TIMING: 3632400 CPU: 10930, 0.00304364/step Wall: 10930, 0.00304364/step, 1.15624 hours remaining, 209.304688 MB of memory in use. ENERGY: 3632400 734.7602 2115.9033 1927.2765 101.8445 -206401.9653 17941.2995 0.0000 0.0000 34350.2119 -149230.6696 299.9889 -183580.8815 -149139.4461 299.3036 65.0227 95.7616 559034.3094 -6.1904 -6.4005 PRESSURE: 3632600 115.611 17.0034 43.0086 17.003 -207.312 97.1908 43.0078 97.1926 -5.25645 GPRESSURE: 3632600 153.181 37.5231 82.8633 44.6285 -152.124 89.7373 99.6793 100.399 2.6094 PRESSAVG: 3632600 -62.8383 -0.484819 7.83864 -0.484771 6.94943 2.10146 7.83866 2.10139 48.8652 GPRESSAVG: 3632600 -63.5253 2.09343 9.84907 -1.30133 7.96128 1.17622 4.5252 2.09863 48.1768 TIMING: 3632600 CPU: 10930.6, 0.00298959/step Wall: 10930.6, 0.00298959/step, 1.13555 hours remaining, 209.304688 MB of memory in use. ENERGY: 3632600 747.7541 2151.3239 1942.3535 114.3031 -206195.6997 17742.4617 0.0000 0.0000 34328.8640 -149168.6394 299.8025 -183497.5034 -149073.0367 299.2399 -32.3193 1.2222 557157.6799 -2.3412 -2.4624 PRESSURE: 3632800 76.5688 17.6913 -29.7468 17.691 19.4564 -47.9801 -29.7464 -47.9788 191.483 GPRESSURE: 3632800 136.488 -26.4949 -49.6165 0.71483 65.0465 2.00904 -5.66828 -23.3742 180.099 PRESSAVG: 3632800 -18.2822 34.3103 4.99133 34.3103 4.86829 -52.7045 4.99132 -52.7044 -23.5489 GPRESSAVG: 3632800 -19.3339 33.2182 4.19181 34.3839 4.61151 -52.1341 7.60766 -51.4189 -22.3104 TIMING: 3632800 CPU: 10931.2, 0.00299377/step Wall: 10931.2, 0.00299377/step, 1.13697 hours remaining, 209.304688 MB of memory in use. ENERGY: 3632800 792.0190 2155.9061 1955.9924 116.9815 -206488.5388 17999.6254 0.0000 0.0000 34220.0635 -149247.9509 298.8523 -183468.0144 -149153.0470 299.3886 95.8359 127.2113 557519.1216 -12.3209 -12.3442 PRESSURE: 3633000 307.884 39.6017 -300.156 39.6034 299.971 125.2 -300.154 125.2 19.027 GPRESSURE: 3633000 338.259 126.797 -309.176 80.2977 330.774 125.818 -206.453 81.8715 60.777 PRESSAVG: 3633000 -13.3502 8.7278 29.559 8.72777 -15.1263 32.2476 29.5589 32.2476 18.557 GPRESSAVG: 3633000 -10.9447 9.30653 29.1263 9.28611 -17.095 30.653 29.2822 32.3682 18.5733 TIMING: 3633000 CPU: 10931.8, 0.0030086/step Wall: 10931.8, 0.0030086/step, 1.14243 hours remaining, 209.304688 MB of memory in use. ENERGY: 3633000 756.7064 2119.9977 1943.5705 117.9947 -206677.7369 18329.7253 0.0000 0.0000 34165.8054 -149243.9368 298.3785 -183409.7423 -149155.6374 298.9155 208.9606 243.2700 557985.8985 -3.3065 -3.1555 PRESSURE: 3633200 166.346 -87.4896 -146.671 -87.4885 377.027 -46.9627 -146.669 -46.9618 -119.207 GPRESSURE: 3633200 154.413 -78.9245 -183.575 6.84954 396.963 7.16366 -104.474 -103.509 -31.0309 PRESSAVG: 3633200 60.0748 -6.01778 -21.206 -6.01786 -18.9292 -49.4914 -21.206 -49.4913 -10.2581 GPRESSAVG: 3633200 58.2842 -6.87138 -21.1044 -5.02679 -17.2674 -47.7859 -20.508 -50.3542 -10.4512 TIMING: 3633200 CPU: 10932.4, 0.00301631/step Wall: 10932.4, 0.00301631/step, 1.14519 hours remaining, 209.304688 MB of memory in use. ENERGY: 3633200 714.7084 2104.1947 1930.5820 112.9229 -206399.4996 18003.0093 0.0000 0.0000 34377.9780 -149156.1043 300.2314 -183534.0823 -149064.1639 299.1333 141.3888 173.4483 557723.6146 10.2959 10.1885 PRESSURE: 3633400 -253.602 -215.981 -175.277 -215.982 -336.784 -133.937 -175.277 -133.937 -394.726 GPRESSURE: 3633400 -254.394 -255.202 -187.091 -131 -247.247 -114.959 -155.522 -144.681 -387.033 PRESSAVG: 3633400 -0.445105 -10.6211 -42.3358 -10.6211 -2.57784 -66.3603 -42.3358 -66.3602 -44.897 GPRESSAVG: 3633400 -0.141142 -9.4172 -44.879 -12.5095 -3.02433 -66.6221 -41.8878 -64.968 -45.5494 TIMING: 3633400 CPU: 10933, 0.0030286/step Wall: 10933, 0.0030286/step, 1.14969 hours remaining, 209.304688 MB of memory in use. ENERGY: 3633400 770.5415 2091.8217 1928.0741 110.7352 -205693.6900 17317.4508 0.0000 0.0000 34221.4133 -149253.6533 298.8641 -183475.0667 -149155.1170 299.2500 -328.3707 -296.2248 558302.9759 -15.9733 -16.2383 PRESSURE: 3633600 -108.048 25.7701 -66.4879 25.7701 -178.514 1.38073 -66.4881 1.38043 -247.22 GPRESSURE: 3633600 -130.683 154.467 -35.0062 58.0332 -142.401 -2.16379 -26.6748 -38.247 -154.244 PRESSAVG: 3633600 -53.9961 -74.2371 -12.7866 -74.2371 44.926 29.0846 -12.7867 29.0846 7.68551 GPRESSAVG: 3633600 -52.3167 -76.0287 -12.3753 -74.734 44.9395 29.8688 -13.3416 25.395 6.48795 TIMING: 3633600 CPU: 10933.6, 0.00298695/step Wall: 10933.6, 0.00298695/step, 1.13371 hours remaining, 209.304688 MB of memory in use. ENERGY: 3633600 784.4836 2138.6440 1935.7665 116.9657 -205989.4468 17626.9978 0.0000 0.0000 34093.4395 -149293.1496 297.7465 -183386.5892 -149192.2737 299.5541 -177.9273 -142.4424 556929.1279 -0.4615 -0.2964 PRESSURE: 3633800 -24.3635 -50.647 -221.55 -50.6472 32.8276 58.9329 -221.549 58.9331 29.1641 GPRESSURE: 3633800 18.6057 -60.8054 -212.483 -22.6269 77.2862 34.7599 -267.861 41.2747 40.0324 PRESSAVG: 3633800 47.8468 -33.85 -0.622654 -33.85 38.6257 -30.2881 -0.622685 -30.2881 -46.5167 GPRESSAVG: 3633800 46.4408 -32.6762 1.38766 -32.6392 39.2208 -32.7519 -1.09807 -27.6457 -45.5834 TIMING: 3633800 CPU: 10934.2, 0.00297681/step Wall: 10934.2, 0.00297681/step, 1.1297 hours remaining, 209.304688 MB of memory in use. ENERGY: 3633800 783.2516 2097.1701 1976.6536 126.4263 -206309.3226 17901.9575 0.0000 0.0000 34298.7741 -149125.0893 299.5397 -183423.8634 -149024.3196 298.9230 12.5427 45.3081 556611.9029 13.3186 13.3594 PRESSURE: 3634000 -115.92 -55.5449 39.2504 -55.545 -251.497 196.815 39.251 196.814 -235.722 GPRESSURE: 3634000 -79.9133 -145.693 70.698 16.8978 -203.02 147.203 -80.9718 242.343 -216.298 PRESSAVG: 3634000 -48.5285 -38.7218 -26.2456 -38.7218 3.91661 12.6498 -26.2457 12.6499 1.06556 GPRESSAVG: 3634000 -47.9545 -38.2742 -23.5749 -40.1655 3.31826 12.8175 -27.9202 13.3184 0.978773 TIMING: 3634000 CPU: 10934.8, 0.00298336/step Wall: 10934.8, 0.00298336/step, 1.13202 hours remaining, 209.304688 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: 3634000 753.7603 2097.7553 1950.8841 118.6467 -205856.1593 17542.3631 0.0000 0.0000 34222.8071 -149169.9428 298.8763 -183392.7499 -149076.9673 300.0105 -201.0463 -166.4105 557896.9741 -14.5155 -14.5525 PRESSURE: 3634200 -80.0042 8.86737 5.5895 8.86642 60.911 152.58 5.58986 152.579 90.8798 GPRESSURE: 3634200 -95.1212 71.5278 -35.5028 -22.76 60.5924 6.22304 17.0335 116.532 198.516 PRESSAVG: 3634200 -1.98937 -12.8272 10.3964 -12.8271 -11.3627 26.869 10.3965 26.869 -17.2228 GPRESSAVG: 3634200 -1.89808 -13.3183 5.88967 -11.2789 -11.3465 28.0265 12.3578 24.9222 -16.7731 TIMING: 3634200 CPU: 10935.4, 0.00297752/step Wall: 10935.4, 0.00297752/step, 1.12964 hours remaining, 209.304688 MB of memory in use. ENERGY: 3634200 741.0744 2084.8315 1948.1938 114.4548 -206512.1027 17946.2696 0.0000 0.0000 34413.3850 -149263.8936 300.5407 -183677.2786 -149166.0731 299.6562 23.9288 54.6623 556743.3366 -10.1916 -10.0059 PRESSURE: 3634400 294.734 184.197 52.1679 184.197 143.55 -10.1119 52.1691 -10.1113 118.538 GPRESSURE: 3634400 343.744 182.8 113.066 103.193 146.236 -6.28534 70.4074 -11.1755 169.679 PRESSAVG: 3634400 4.49975 -40.701 16.9533 -40.701 11.3532 6.59189 16.9534 6.59181 40.462 GPRESSAVG: 3634400 3.54991 -41.0464 15.2309 -41.137 11.3566 6.27375 19.067 5.86877 41.3102 TIMING: 3634400 CPU: 10936, 0.00298545/step Wall: 10936, 0.00298545/step, 1.13248 hours remaining, 209.304688 MB of memory in use. ENERGY: 3634400 755.8615 2087.1590 1952.5775 117.0639 -206637.9371 18237.1397 0.0000 0.0000 34300.7433 -149187.3922 299.5569 -183488.1355 -149096.3187 299.9434 185.6072 219.8866 557135.7726 18.7717 18.7389 PRESSURE: 3634600 294.591 57.8035 -209.748 57.8029 371.707 131.733 -209.747 131.732 435.164 GPRESSURE: 3634600 380.555 125.55 -183.589 84.5153 363.886 147.717 -259.692 94.7823 462.352 PRESSAVG: 3634600 56.7716 7.07878 -29.6192 7.07876 -70.0218 64.9277 -29.6192 64.9277 36.091 GPRESSAVG: 3634600 59.0346 6.65504 -27.9236 7.65996 -70.9948 67.5226 -30.8206 65.8605 34.9197 TIMING: 3634600 CPU: 10936.6, 0.00297619/step Wall: 10936.6, 0.00297619/step, 1.1288 hours remaining, 209.304688 MB of memory in use. ENERGY: 3634600 706.8084 2088.2552 1940.1404 116.3025 -206684.5694 18282.0179 0.0000 0.0000 34362.4579 -149188.5870 300.0959 -183551.0449 -149095.5570 299.2477 367.1539 402.2645 557022.1173 7.6136 7.6531 PRESSURE: 3634800 -241 -46.9046 16.86 -46.9047 409.849 -103.451 16.8603 -103.452 -322.429 GPRESSURE: 3634800 -201.455 -28.4787 -24.8105 -3.09057 428.408 -246.647 18.987 -56.4251 -292.308 PRESSAVG: 3634800 29.1848 -21.3572 -57.1803 -21.3572 48.8044 -26.3304 -57.1802 -26.3304 -74.8223 GPRESSAVG: 3634800 28.4629 -20.2618 -57.0925 -24.1002 49.4015 -28.8729 -58.0554 -26.6615 -75.0316 TIMING: 3634800 CPU: 10937.2, 0.0029704/step Wall: 10937.2, 0.0029704/step, 1.12644 hours remaining, 209.304688 MB of memory in use. ENERGY: 3634800 751.2107 2078.6475 1944.0941 119.4312 -205961.8568 17678.1815 0.0000 0.0000 34159.4048 -149230.8872 298.3226 -183390.2919 -149132.4405 299.6617 -51.1933 -21.7852 557509.2656 1.0556 0.9443 PRESSURE: 3635000 271.692 -40.8918 57.7407 -40.8918 -140.485 38.8105 57.7403 38.8106 -53.3094 GPRESSURE: 3635000 288.57 -18.6941 14.6357 -82.2137 -117.622 -36.0253 150.754 64.5632 0.564707 PRESSAVG: 3635000 20.723 -26.8565 26.6975 -26.8566 49.6084 -7.59006 26.6975 -7.59 -27.3295 GPRESSAVG: 3635000 21.0891 -27.3697 26.5674 -26.0724 48.9839 -9.71672 27.1763 -6.05612 -27.7016 TIMING: 3635000 CPU: 10937.8, 0.00295287/step Wall: 10937.8, 0.00295287/step, 1.11963 hours remaining, 209.304688 MB of memory in use. ENERGY: 3635000 715.5866 2119.3587 1957.0122 121.3502 -206285.8070 17806.5498 0.0000 0.0000 34160.7898 -149405.1597 298.3347 -183565.9494 -149312.8591 299.3733 25.9661 57.1711 557071.3010 14.3340 14.1238 PRESSURE: 3635200 -22.2393 68.1596 91.0063 68.1608 -27.2593 -29.3318 91.0072 -29.3324 317.446 GPRESSURE: 3635200 21.3327 91.0301 139.683 101.182 24.9913 -11.6105 61.7871 0.729962 316.019 PRESSAVG: 3635200 46.6112 -14.2601 -3.76468 -14.26 -11.9771 18.0089 -3.76473 18.0089 -26.1609 GPRESSAVG: 3635200 44.713 -12.6984 -3.61436 -14.2473 -10.1222 19.8296 -4.34482 17.26 -25.9923 TIMING: 3635200 CPU: 10938.4, 0.00295911/step Wall: 10938.4, 0.00295911/step, 1.12183 hours remaining, 209.304688 MB of memory in use. ENERGY: 3635200 780.8493 2109.3402 1937.1867 122.2742 -206975.6577 18315.3550 0.0000 0.0000 34192.8992 -149517.7531 298.6151 -183710.6523 -149429.7286 298.9935 89.3156 120.7809 556433.1564 2.8244 2.8662 PRESSURE: 3635400 126.957 -5.15604 55.114 -5.15696 -130.973 -202.345 55.1132 -202.345 66.3873 GPRESSURE: 3635400 122.744 -87.3045 65.1506 -19.059 -76.3473 -297.663 111.435 -155.877 98.9458 PRESSAVG: 3635400 47.2333 26.8752 -53.3575 26.8752 -24.584 -15.5264 -53.3575 -15.5266 11.6681 GPRESSAVG: 3635400 48.0888 25.9471 -53.332 28.1283 -25.7563 -14.1896 -53.8187 -18.9893 11.9466 TIMING: 3635400 CPU: 10939, 0.0029725/step Wall: 10939, 0.0029725/step, 1.12674 hours remaining, 209.304688 MB of memory in use. ENERGY: 3635400 739.9575 2109.7512 1962.2240 108.2716 -206728.0064 18073.8769 0.0000 0.0000 34163.2608 -149570.6645 298.3563 -183733.9252 -149476.7231 299.0039 20.7907 48.4475 558732.2967 11.4391 11.4263 PRESSURE: 3635600 131.109 -50.7799 67.3631 -50.7797 171.034 79.8872 67.3637 79.8861 -106.873 GPRESSURE: 3635600 152.684 52.7011 -2.65988 -72.8411 239.486 77.563 133.05 15.9562 -104.586 PRESSAVG: 3635600 -23.6081 17.1181 -42.6565 17.1181 105.211 16.1157 -42.6565 16.1157 -36.947 GPRESSAVG: 3635600 -24.9941 17.7091 -41.7872 15.817 106.372 13.9501 -42.5656 18.7138 -36.8684 TIMING: 3635600 CPU: 10939.6, 0.00298446/step Wall: 10939.6, 0.00298446/step, 1.13111 hours remaining, 209.304688 MB of memory in use. ENERGY: 3635600 780.4121 2076.4419 1934.6505 107.1653 -206953.9628 18119.0650 0.0000 0.0000 34405.9776 -149530.2505 300.4760 -183936.2280 -149434.2547 298.3351 65.0899 95.8613 556836.8581 14.8852 14.8364 PRESSURE: 3635800 -407.456 87.0634 91.3163 87.0636 -241.734 78.0446 91.3162 78.0446 -118.081 GPRESSURE: 3635800 -322.238 70.7475 168.011 45.1653 -215.894 104.344 -14.1192 35.625 -132.924 PRESSAVG: 3635800 -0.775482 6.20237 31.1159 6.20247 69.0514 64.6207 31.1158 64.6208 -56.238 GPRESSAVG: 3635800 0.326419 4.25184 28.8686 7.39106 68.9024 64.359 32.0549 65.0428 -57.1135 TIMING: 3635800 CPU: 10940.2, 0.00296311/step Wall: 10940.2, 0.00296311/step, 1.12286 hours remaining, 209.304688 MB of memory in use. ENERGY: 3635800 771.3684 2085.1880 1910.5226 107.9042 -206011.2686 17440.0942 0.0000 0.0000 34091.6803 -149604.5107 297.7311 -183696.1911 -149500.6622 298.2640 -255.7573 -223.6853 558509.2534 4.0126 4.0384 PRESSURE: 3636000 38.9203 36.2921 -29.606 36.2933 -313.575 -52.7329 -29.6061 -52.7316 -338.232 GPRESSURE: 3636000 69.5908 44.4475 4.5709 -69.7936 -346.465 37.0363 -6.74259 -46.9525 -236.745 PRESSAVG: 3636000 52.9374 -45.7825 -60.4437 -45.7826 -96.8905 73.9252 -60.4437 73.9252 17.0336 GPRESSAVG: 3636000 52.4822 -45.0455 -57.9366 -46.7777 -96.5219 75.2318 -61.1236 74.4912 17.0405 TIMING: 3636000 CPU: 10940.8, 0.00296194/step Wall: 10940.8, 0.00296194/step, 1.12225 hours remaining, 209.304688 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: 3636000 765.2404 2130.5289 1926.0081 113.4328 -206221.9522 17739.9453 0.0000 0.0000 34042.4882 -149504.3086 297.3015 -183546.7967 -149406.2092 297.8906 -204.2956 -171.2065 557892.0005 -8.9732 -8.9997 PRESSURE: 3636200 -144.428 9.93883 -18.5621 9.93839 23.0735 -53.1511 -18.562 -53.1497 88.3331 GPRESSURE: 3636200 -134.627 48.8021 -32.8505 29.4669 105.715 -97.4937 -17.5083 -74.4006 102.672 PRESSAVG: 3636200 20.9225 -9.73664 -49.1645 -9.73671 -27.2138 -13.2144 -49.1645 -13.2143 -7.42166 GPRESSAVG: 3636200 22.0037 -10.3362 -52.0243 -9.62991 -27.9738 -12.833 -47.965 -15.6315 -7.76668 TIMING: 3636200 CPU: 10941.3, 0.00296979/step Wall: 10941.3, 0.00296979/step, 1.12505 hours remaining, 209.304688 MB of memory in use. ENERGY: 3636200 773.5347 2088.6736 1919.1811 102.4141 -206536.5320 17903.7412 0.0000 0.0000 34263.5262 -149485.4611 299.2319 -183748.9873 -149386.4642 298.4176 -11.0070 24.5868 555478.3046 -4.5710 -4.5789 LDB: ============= START OF LOAD BALANCING ============== 10944.9 LDB: ============== END OF LOAD BALANCING =============== 10944.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10944.9 LDB: ============= START OF LOAD BALANCING ============== 10945.2 LDB: Largest compute 4802 load 0.028574 is 24.2% of average load 0.118191 LDB: Average compute 0.001716 is 1.5% of average load 0.118191 LDB: TIME 10945.2 LOAD: AVG 0.118191 MAX 0.209952 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.145 MB LDB: TIME 10945.2 LOAD: AVG 0.118191 MAX 0.209952 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.27 MB LDB: TIME 10945.2 LOAD: AVG 0.118191 MAX 0.209952 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.27 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10945.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10945.2 PRESSURE: 3636400 222.833 41.4633 -58.7285 41.4628 84.6859 -69.2025 -58.7297 -69.2011 -186.068 GPRESSURE: 3636400 227.703 -35.7227 -159.907 25.878 148.831 -0.453899 -11.4895 -186.951 -162.938 PRESSAVG: 3636400 24.5306 40.9318 -68.2804 40.9318 -19.5119 -16.3671 -68.2804 -16.3672 37.3596 GPRESSAVG: 3636400 22.9173 40.4849 -67.0645 40.2546 -19.6814 -15.8386 -69.132 -15.681 39.2713 TIMING: 3636400 CPU: 10942, 0.00303544/step Wall: 10942, 0.00303544/step, 1.14976 hours remaining, 210.214844 MB of memory in use. ENERGY: 3636400 749.0403 2097.2023 1923.7616 124.7237 -206391.9891 17832.5929 0.0000 0.0000 34348.5262 -149316.1421 299.9742 -183664.6683 -149215.8757 298.4672 40.4834 71.1985 556981.0768 14.1261 14.1691 PRESSURE: 3636600 129.032 -16.9655 -167.457 -16.9666 151.378 -16.843 -167.456 -16.8444 18.1479 GPRESSURE: 3636600 143.105 -12.1087 -158.708 37.1403 241.155 -7.30765 -119.791 3.60761 -1.2661 PRESSAVG: 3636600 69.1194 -10.5143 -89.9068 -10.5143 5.64078 -70.6739 -89.9069 -70.6738 -69.9512 GPRESSAVG: 3636600 68.4945 -11.8927 -91.7436 -8.58587 5.95327 -70.2394 -88.9949 -70.9142 -69.4564 TIMING: 3636600 CPU: 10942.6, 0.00298813/step Wall: 10942.6, 0.00298813/step, 1.13167 hours remaining, 210.472656 MB of memory in use. ENERGY: 3636600 711.6223 2117.1914 1909.7625 98.7927 -206482.6363 17974.6795 0.0000 0.0000 34387.5598 -149283.0283 300.3151 -183670.5881 -149191.6640 299.0247 99.5195 127.6646 555934.1003 1.6030 1.6638 PRESSURE: 3636800 -4.78145 -58.5963 -163.487 -58.5961 -31.1855 12.1615 -163.487 12.1607 -187.295 GPRESSURE: 3636800 20.7918 -45.4059 -130.541 -29.9806 -11.1195 34.4717 -111.282 63.842 -140.441 PRESSAVG: 3636800 -39.4446 -24.3724 -55.4714 -24.3723 50.1314 23.0581 -55.4715 23.0581 31.7695 GPRESSAVG: 3636800 -38.1366 -21.7196 -52.1537 -25.6972 50.9045 22.5346 -58.4986 24.0517 29.8224 TIMING: 3636800 CPU: 10943.1, 0.002964/step Wall: 10943.1, 0.002964/step, 1.12237 hours remaining, 210.472656 MB of memory in use. ENERGY: 3636800 775.3408 2073.6954 1944.6220 107.9917 -206329.1706 17920.7871 0.0000 0.0000 34240.9565 -149265.7771 299.0348 -183506.7336 -149164.6019 299.7216 -74.4206 -43.5895 558484.0199 14.1521 14.1968 PRESSURE: 3637000 48.6548 -20.5842 -15.6944 -20.5857 -227.135 72.2479 -15.6949 72.2485 93.7628 GPRESSURE: 3637000 72.1564 -26.251 -76.5879 -64.9593 -171.369 85.7432 13.7392 109.968 119.068 PRESSAVG: 3637000 10.818 -18.7408 8.18601 -18.7408 13.0351 47.5678 8.18591 47.5679 -10.8808 GPRESSAVG: 3637000 9.72702 -20.0276 6.97895 -18.3876 12.8824 48.5196 12.1455 45.2807 -9.87785 TIMING: 3637000 CPU: 10943.7, 0.00298115/step Wall: 10943.7, 0.00298115/step, 1.1287 hours remaining, 210.472656 MB of memory in use. ENERGY: 3637000 734.4233 2101.7647 1917.8381 117.8455 -206091.4208 17629.9596 0.0000 0.0000 34484.3873 -149105.2023 301.1607 -183589.5897 -149011.3786 299.4285 -28.2392 6.6184 557725.0610 4.3241 4.2438 PRESSURE: 3637200 -64.3172 -8.08088 16.9175 -8.08012 -109.293 -13.6053 16.9175 -13.6075 -72.3383 GPRESSURE: 3637200 -18.6276 19.8417 40.8979 -16.5322 -27.1678 -33.1108 6.90817 -9.97126 -94.6085 PRESSAVG: 3637200 39.1566 -19.1671 -0.986779 -19.1671 33.4476 -34.8934 -0.986803 -34.8935 -19.5758 GPRESSAVG: 3637200 39.7491 -18.265 1.11138 -20.1679 33.7681 -36.4793 -2.84468 -34.0454 -20.0755 TIMING: 3637200 CPU: 10944.3, 0.00300523/step Wall: 10944.3, 0.00300523/step, 1.13765 hours remaining, 210.472656 MB of memory in use. ENERGY: 3637200 722.8435 2045.6656 1902.1774 107.9579 -205899.8438 17840.0598 0.0000 0.0000 34328.2302 -148952.9095 299.7970 -183281.1397 -148854.1118 300.2032 -81.9828 -46.8013 559139.3674 17.6761 17.8139 PRESSURE: 3637400 442.34 243.708 -5.69929 243.709 71.6344 0.417364 -5.69857 0.416779 277.463 GPRESSURE: 3637400 448 240.273 -28.658 230.449 121.304 49.3829 58.4355 -10.4604 336.358 PRESSAVG: 3637400 1.39592 72.0805 68.1055 72.0806 8.28086 -2.9136 68.1055 -2.91359 -36.3324 GPRESSAVG: 3637400 1.21313 70.9134 67.0734 72.6671 7.2316 -1.77506 68.8626 -2.48164 -35.4915 TIMING: 3637400 CPU: 10944.9, 0.00301567/step Wall: 10944.9, 0.00301567/step, 1.14143 hours remaining, 210.472656 MB of memory in use. ENERGY: 3637400 698.0565 2108.2758 1930.9812 107.1322 -206114.1240 18008.5486 0.0000 0.0000 34278.4609 -148982.6688 299.3623 -183261.1297 -148883.2923 299.4659 263.8125 301.8875 557557.0082 -8.8852 -9.0156 PRESSURE: 3637600 52.5065 -130.032 47.539 -130.032 -8.69809 -25.1764 47.538 -25.1766 191.162 GPRESSURE: 3637600 72.8553 -124.954 32.2808 -133.697 12.7872 -62.8092 37.5582 37.3693 245.914 PRESSAVG: 3637600 -73.9941 46.1407 14.108 46.1408 11.0875 -32.8969 14.108 -32.8969 56.5907 GPRESSAVG: 3637600 -74.4389 45.1096 10.821 46.5764 11.7069 -30.8669 14.2054 -35.1639 56.2708 TIMING: 3637600 CPU: 10945.5, 0.00301583/step Wall: 10945.5, 0.00301583/step, 1.14133 hours remaining, 210.539062 MB of memory in use. ENERGY: 3637600 740.1023 2111.4059 1911.9435 115.9791 -206147.5896 17923.7947 0.0000 0.0000 34392.4083 -148951.9558 300.3575 -183344.3642 -148856.5974 299.9349 78.3234 110.5187 558042.3919 -2.1053 -2.1537 PRESSURE: 3637800 68.8873 82.2745 -39.1196 82.275 -142.85 162.24 -39.1199 162.238 125.072 GPRESSURE: 3637800 140.081 30.998 -101.636 102.291 -110.568 96.9376 -35.0154 206.308 110.005 PRESSAVG: 3637800 -40.859 15.3903 -48.0292 15.3903 10.0379 42.4386 -48.0292 42.4386 55.6162 GPRESSAVG: 3637800 -40.3174 15.7225 -47.1152 15.9744 9.07025 42.2785 -48.484 43.2937 55.8908 TIMING: 3637800 CPU: 10946.2, 0.00300785/step Wall: 10946.2, 0.00300785/step, 1.13814 hours remaining, 210.539062 MB of memory in use. ENERGY: 3637800 768.5018 2092.6513 1924.2577 115.9703 -206462.4982 17982.4772 0.0000 0.0000 34479.6953 -149098.9446 301.1198 -183578.6399 -148999.9361 300.2527 17.0364 46.5060 558088.9915 8.2651 8.2146 PRESSURE: 3638000 21.9137 -19.8838 -106.837 -19.8842 140.014 61.9776 -106.836 61.9801 266.17 GPRESSURE: 3638000 17.2879 -71.6101 -93.326 35.5553 194.849 87.0149 -63.8636 73.7258 296.515 PRESSAVG: 3638000 3.97164 0.55163 7.05262 0.551653 32.2285 42.3976 7.05257 42.3976 -43.6075 GPRESSAVG: 3638000 3.75062 0.961541 11.2058 -0.551374 32.2921 39.1489 4.67638 42.4101 -43.9831 TIMING: 3638000 CPU: 10946.8, 0.00301637/step Wall: 10946.8, 0.00301637/step, 1.14119 hours remaining, 210.539062 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: 3638000 729.8594 2108.5623 1960.1402 106.3056 -206117.6728 17916.3809 0.0000 0.0000 34472.6320 -148823.7924 301.0581 -183296.4244 -148720.7195 300.9759 142.6991 169.5507 556577.3017 -2.4691 -2.6468 PRESSURE: 3638200 162.004 -74.4516 -13.3149 -74.4532 -105.752 109.775 -13.3152 109.775 8.82322 GPRESSURE: 3638200 161.583 -18.7784 -3.82077 -130.523 -54.6159 143.421 -4.94226 166.071 67.1654 PRESSAVG: 3638200 -68.1444 -20.9468 23.7221 -20.9469 32.8187 -0.708804 23.7222 -0.708825 26.5278 GPRESSAVG: 3638200 -69.1167 -20.798 20.2229 -19.6451 33.2326 1.04168 26.2481 1.0464 27.5446 TIMING: 3638200 CPU: 10947.4, 0.00302896/step Wall: 10947.4, 0.00302896/step, 1.14579 hours remaining, 210.539062 MB of memory in use. ENERGY: 3638200 787.8919 2114.4663 1947.3533 112.0116 -206104.8908 17793.6827 0.0000 0.0000 34355.3118 -148994.1734 300.0335 -183349.4851 -148901.4499 300.3738 21.6916 58.0440 557167.2652 -2.9326 -2.7799 PRESSURE: 3638400 21.5757 199.534 -38.9293 199.534 -66.88 48.1795 -38.9286 48.1807 -53.0762 GPRESSURE: 3638400 45.5139 144.015 6.35216 234.6 -40.2718 33.1409 -56.4775 81.2137 -4.07503 PRESSAVG: 3638400 -24.6736 41.0029 35.51 41.003 1.75279 -33.1145 35.51 -33.1145 94.2928 GPRESSAVG: 3638400 -24.2784 41.8838 38.3875 38.903 1.4862 -33.2416 34.8052 -36.3391 94.2185 TIMING: 3638400 CPU: 10948, 0.00300081/step Wall: 10948, 0.00300081/step, 1.13497 hours remaining, 210.539062 MB of memory in use. ENERGY: 3638400 781.4400 2085.0500 1900.9418 110.7344 -205960.0415 17723.5522 0.0000 0.0000 34383.9439 -148974.3793 300.2835 -183358.3232 -148878.8118 300.0795 -32.7935 0.3890 557448.0143 23.7907 23.8088 PRESSURE: 3638600 -39.1662 55.2724 45.9999 55.2733 -255.939 -121.178 46.0001 -121.178 -100.931 GPRESSURE: 3638600 0.213375 105.461 15.6499 67.3497 -246.507 -110.655 70.679 -130.6 -54.3962 PRESSAVG: 3638600 9.0356 -2.89103 10.7013 -2.89101 -71.3134 -7.70616 10.7012 -7.70606 30.6165 GPRESSAVG: 3638600 10.115 -2.54311 9.30283 -2.24358 -71.8417 -8.5862 10.3496 -3.99251 30.5739 TIMING: 3638600 CPU: 10948.6, 0.00297582/step Wall: 10948.6, 0.00297582/step, 1.12535 hours remaining, 210.539062 MB of memory in use. ENERGY: 3638600 752.7319 2122.5676 1939.2669 106.0424 -205804.5334 17556.9409 0.0000 0.0000 34201.5873 -149125.3964 298.6910 -183326.9837 -149037.1714 299.9656 -132.0121 -100.2299 558750.6812 -10.5537 -10.3843 PRESSURE: 3638800 -165.217 -207.597 51.9504 -207.597 251.065 39.1675 51.9532 39.1671 181.775 GPRESSURE: 3638800 -137.287 -149.079 94.7555 -226.693 268.783 75.109 96.8714 -75.2377 237.103 PRESSAVG: 3638800 23.3644 19.4751 37.4634 19.4751 -28.2918 27.9168 37.4634 27.9166 17.6487 GPRESSAVG: 3638800 24.0039 16.3773 37.2695 21.2418 -27.8875 27.408 38.9636 26.3338 16.6667 TIMING: 3638800 CPU: 10949.2, 0.00298936/step Wall: 10949.2, 0.00298936/step, 1.13031 hours remaining, 210.539062 MB of memory in use. ENERGY: 3638800 738.0442 2136.8755 1900.0265 99.1158 -205801.1740 17715.9134 0.0000 0.0000 34045.3620 -149165.8366 297.3266 -183211.1986 -149066.4399 299.6131 89.2078 122.8664 556831.5386 4.2404 4.2610 PRESSURE: 3639000 148.604 -9.09957 43.4738 -9.09987 -101.788 -66.2933 43.4735 -66.293 429.269 GPRESSURE: 3639000 133.613 15.3515 95.6578 -158.999 -66.6181 -83.205 -11.0393 -19.6229 501.055 PRESSAVG: 3639000 -5.74652 -88.6734 12.9795 -88.6734 -27.1305 16.2756 12.9795 16.2756 43.5382 GPRESSAVG: 3639000 -6.53333 -85.0209 12.8236 -91.8431 -27.5236 18.2257 12.9904 18.3418 43.9772 TIMING: 3639000 CPU: 10949.8, 0.00300681/step Wall: 10949.8, 0.00300681/step, 1.13674 hours remaining, 210.539062 MB of memory in use. ENERGY: 3639000 737.0918 2108.6326 1913.6653 110.6329 -206319.7300 18003.7619 0.0000 0.0000 34277.4078 -149168.5377 299.3531 -183445.9455 -149065.8928 298.8586 158.6950 189.3500 556300.7744 3.5537 3.3068 PRESSURE: 3639200 235.886 -45.0315 7.77815 -45.0314 287.697 -267.993 7.77868 -267.994 183.964 GPRESSURE: 3639200 256.535 6.07737 6.39727 -77.9098 347.305 -268.3 -5.67187 -272.654 203.996 PRESSAVG: 3639200 34.877 13.098 -4.65449 13.0981 -34.5906 -20.538 -4.65454 -20.5381 -23.7452 GPRESSAVG: 3639200 35.4868 10.7895 -4.47373 13.2465 -34.4636 -22.49 -4.72657 -19.8778 -24.4429 TIMING: 3639200 CPU: 10950.3, 0.00296652/step Wall: 10950.3, 0.00296652/step, 1.12134 hours remaining, 210.539062 MB of memory in use. ENERGY: 3639200 752.4394 2153.9371 1924.8941 102.6948 -206679.0809 18203.9658 0.0000 0.0000 34389.0682 -149152.0814 300.3283 -183541.1497 -149057.3584 299.6737 235.8490 269.2785 557907.1376 -7.8196 -7.8066 PRESSURE: 3639400 -115.71 21.0593 -227.328 21.0599 -171.502 -1.55186 -227.327 -1.55164 -86.0295 GPRESSURE: 3639400 -39.4874 9.12276 -117.518 -4.22776 -178.249 -45.9756 -289.955 46.0566 -57.5207 PRESSAVG: 3639400 10.7907 14.1802 -21.6324 14.1803 -52.3247 -29.4371 -21.6324 -29.437 1.10548 GPRESSAVG: 3639400 11.2797 15.3105 -21.2505 14.4572 -53.2784 -29.0556 -20.3132 -31.8847 1.86735 TIMING: 3639400 CPU: 10950.9, 0.00296776/step Wall: 10950.9, 0.00296776/step, 1.12165 hours remaining, 210.539062 MB of memory in use. ENERGY: 3639400 756.6673 2103.1502 1917.4733 104.6631 -206172.3589 17732.0254 0.0000 0.0000 34197.9705 -149360.4090 298.6594 -183558.3795 -149265.2540 299.1359 -124.4140 -91.7524 557465.6911 -13.4762 -13.3771 PRESSURE: 3639600 235.229 -7.78157 48.4947 -7.78264 237.35 -37.4404 48.4953 -37.4394 -411.378 GPRESSURE: 3639600 232.031 -22.9447 74.7716 -38.3491 263.082 49.4109 73.1312 -99.1424 -338.375 PRESSAVG: 3639600 -80.696 70.833 -14.3035 70.833 78.8092 20.5802 -14.3035 20.5803 -6.35019 GPRESSAVG: 3639600 -81.2339 70.0456 -17.1629 72.9483 79.7736 22.2266 -15.0592 19.152 -6.25325 TIMING: 3639600 CPU: 10951.5, 0.00297461/step Wall: 10951.5, 0.00297461/step, 1.12407 hours remaining, 210.539062 MB of memory in use. ENERGY: 3639600 727.0331 2087.4574 1926.3188 114.0930 -206068.6333 17866.9883 0.0000 0.0000 34101.7235 -149245.0192 297.8188 -183346.7427 -149144.6457 298.6804 20.4005 52.2458 558513.9966 -2.7456 -2.5712 PRESSURE: 3639800 -125.45 74.1949 182.939 74.1954 -40.4062 91.6074 182.939 91.6081 -54.4046 GPRESSURE: 3639800 -67.0195 -5.07691 136.639 94.775 -15.6588 86.628 210.377 98.054 -38.3703 PRESSAVG: 3639800 54.302 79.0633 -26.5882 79.0635 38.4727 -34.4133 -26.5882 -34.4134 -93.4544 GPRESSAVG: 3639800 55.7723 80.0125 -25.0287 78.9381 36.8828 -35.1363 -27.1325 -33.342 -92.9548 TIMING: 3639800 CPU: 10952.1, 0.00298297/step Wall: 10952.1, 0.00298297/step, 1.12707 hours remaining, 210.539062 MB of memory in use. ENERGY: 3639800 744.4384 2054.2526 1909.1919 120.7599 -205952.0699 17595.2908 0.0000 0.0000 34309.8027 -149218.3335 299.6360 -183528.1362 -149119.7448 298.9868 -73.4202 -40.3495 557805.6211 -0.2266 -0.0999 PRESSURE: 3640000 148.154 -45.3944 -154.722 -45.3949 111.86 -59.791 -154.722 -59.7906 130.414 GPRESSURE: 3640000 236.364 -85.2531 -152.433 -44.367 80.2362 -82.049 -139.199 -19.2531 169.318 PRESSAVG: 3640000 -11.6346 6.94049 -74.5867 6.94042 -32.9736 27.2495 -74.5868 27.2496 -16.373 GPRESSAVG: 3640000 -11.3625 9.06486 -74.1894 5.2864 -33.0966 26.2789 -74.5511 28.6011 -16.5714 TIMING: 3640000 CPU: 10952.7, 0.00299049/step Wall: 10952.7, 0.00299049/step, 1.12974 hours remaining, 210.539062 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: 3640000 752.0156 2118.9503 1898.2532 109.6379 -206481.8428 18066.3439 0.0000 0.0000 34348.3135 -149188.3284 299.9724 -183536.6419 -149100.6763 299.2839 130.1427 161.9727 557696.2484 -20.3271 -20.3435 PRESSURE: 3640200 68.1876 -30.2777 -92.3023 -30.2781 -62.4751 -122.255 -92.3026 -122.255 -171.085 GPRESSURE: 3640200 107.83 -66.2512 -148.642 -73.9805 -28.9299 -140.505 4.07155 -85.0108 -146.369 PRESSAVG: 3640200 33.2754 -3.09806 -9.9697 -3.09808 57.8443 -7.99839 -9.96985 -7.99852 -38.0458 GPRESSAVG: 3640200 32.1284 -6.79024 -9.95352 -1.29005 59.5724 -6.81394 -9.13132 -6.64456 -38.7445 TIMING: 3640200 CPU: 10953.3, 0.00299791/step Wall: 10953.3, 0.00299791/step, 1.13238 hours remaining, 210.539062 MB of memory in use. ENERGY: 3640200 729.2780 2089.1184 1912.3795 116.6511 -206114.4575 17740.5549 0.0000 0.0000 34135.5200 -149390.9556 298.1140 -183526.4756 -149287.6766 299.2766 -55.1241 -22.4897 557449.0713 17.6913 17.6521 LDB: ============= START OF LOAD BALANCING ============== 10956.8 LDB: ============== END OF LOAD BALANCING =============== 10956.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10956.8 LDB: ============= START OF LOAD BALANCING ============== 10957.1 LDB: Largest compute 4802 load 0.029629 is 25.1% of average load 0.118188 LDB: Average compute 0.001716 is 1.5% of average load 0.118188 LDB: TIME 10957.1 LOAD: AVG 0.118188 MAX 0.208074 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.266 MB LDB: TIME 10957.1 LOAD: AVG 0.118188 MAX 0.208074 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.473 MB LDB: TIME 10957.1 LOAD: AVG 0.118188 MAX 0.208074 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.473 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10957.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10957.2 PRESSURE: 3640400 -86.8445 124.608 -25.7098 124.608 -12.8492 123.137 -25.708 123.137 107.051 GPRESSURE: 3640400 -56.7302 119.111 15.1794 70.124 19.9 146.863 -42.8694 120.484 143.64 PRESSAVG: 3640400 -45.4967 13.9997 -45.0565 13.9997 -27.5697 5.27261 -45.0565 5.27249 31.7955 GPRESSAVG: 3640400 -43.9832 15.6703 -44.1782 13.3521 -28.671 3.8386 -45.8698 3.72735 31.8844 TIMING: 3640400 CPU: 10953.9, 0.0030157/step Wall: 10953.9, 0.0030157/step, 1.13893 hours remaining, 208.687500 MB of memory in use. ENERGY: 3640400 763.8395 2085.9431 1929.2666 118.4037 -206287.4167 17820.8405 0.0000 0.0000 34280.8336 -149288.2895 299.3830 -183569.1231 -149187.9478 298.4712 2.4526 35.6034 556559.7169 -13.7570 -13.5899 PRESSURE: 3640600 -33.8789 33.1328 39.965 33.1331 -103.892 -62.8467 39.9642 -62.8467 48.4598 GPRESSURE: 3640600 -88.3385 42.4913 16.5746 5.5617 -26.3181 -29.1071 116.037 -31.9086 118.925 PRESSAVG: 3640600 -65.4793 50.5552 -22.5862 50.5552 34.1071 36.6541 -22.5862 36.654 38.7334 GPRESSAVG: 3640600 -67.1811 48.9 -22.6033 51.13 34.7695 39.0696 -21.3031 36.1476 39.2587 TIMING: 3640600 CPU: 10954.5, 0.00298809/step Wall: 10954.5, 0.00298809/step, 1.12834 hours remaining, 209.054688 MB of memory in use. ENERGY: 3640600 764.5888 2132.8795 1927.1966 107.3194 -206507.7040 17948.2044 0.0000 0.0000 34359.5159 -149267.9994 300.0702 -183627.5152 -149176.3313 299.3769 -29.7705 1.4228 557421.0022 2.4537 2.2824 PRESSURE: 3640800 18.7012 -58.6965 12.3694 -58.6958 -170.942 -17.7099 12.3691 -17.7106 24.4165 GPRESSURE: 3640800 62.6436 -29.6104 -33.6056 0.418627 -104.362 -6.44565 61.3354 8.54885 11.5129 PRESSAVG: 3640800 -4.63574 9.17534 -17.1909 9.17531 -24.3015 -17.019 -17.191 -17.019 26.9384 GPRESSAVG: 3640800 -5.4063 10.0218 -18.3083 9.09913 -25.3218 -18.4906 -16.2784 -13.8158 28.8054 TIMING: 3640800 CPU: 10955.1, 0.00298114/step Wall: 10955.1, 0.00298114/step, 1.12555 hours remaining, 209.054688 MB of memory in use. ENERGY: 3640800 746.8380 2103.1485 1917.3926 100.1969 -206214.7544 17639.2667 0.0000 0.0000 34221.9167 -149485.9950 298.8685 -183707.9117 -149388.2252 299.6349 -42.6079 -10.0686 557148.9650 -0.6663 -0.6409 PRESSURE: 3641000 -58.5403 81.0317 10.8603 81.0322 128.751 130.221 10.8606 130.221 50.5554 GPRESSURE: 3641000 -30.2689 2.92109 21.2672 65.4627 196.505 107.909 -8.38207 100.763 43.7598 PRESSAVG: 3641000 -23.2819 -12.1423 -41.1258 -12.1425 -32.1709 21.0901 -41.1258 21.0902 8.78871 GPRESSAVG: 3641000 -23.8188 -11.2845 -41.2349 -11.8101 -30.7509 20.5653 -43.0576 21.1377 7.82658 TIMING: 3641000 CPU: 10955.7, 0.00303062/step Wall: 10955.7, 0.00303062/step, 1.14406 hours remaining, 209.054688 MB of memory in use. ENERGY: 3641000 738.4095 2098.7024 1950.2510 121.9988 -206715.7116 18014.3329 0.0000 0.0000 34194.1613 -149597.8557 298.6261 -183792.0170 -149499.3996 298.2356 40.2552 69.9986 555996.3643 -15.5547 -15.5810 PRESSURE: 3641200 -19.0038 -56.3979 -67.0466 -56.3981 -223.758 7.70419 -67.0475 7.70511 -49.9959 GPRESSURE: 3641200 17.798 -176.513 -92.6105 20.6225 -199.285 37.679 -55.0953 -15.3416 -7.91845 PRESSAVG: 3641200 5.03367 50.8499 -15.8501 50.8499 39.606 1.89742 -15.8501 1.89748 -27.1778 GPRESSAVG: 3641200 6.46001 51.4143 -16.3293 50.7143 38.3385 2.04713 -15.0074 0.186577 -27.1008 TIMING: 3641200 CPU: 10956.3, 0.0030357/step Wall: 10956.3, 0.0030357/step, 1.14581 hours remaining, 209.054688 MB of memory in use. ENERGY: 3641200 730.4212 2119.0554 1928.6776 115.1147 -206551.6969 17730.8539 0.0000 0.0000 34341.4048 -149586.1692 299.9120 -183927.5740 -149494.5804 298.0686 -97.5861 -63.1352 555877.0986 5.8206 5.8992 PRESSURE: 3641400 -15.3931 22.3685 186.65 22.3691 15.2688 -69.6615 186.648 -69.6628 81.9235 GPRESSURE: 3641400 14.8508 39.5435 278.545 14.8151 60.0533 -100.304 95.0606 -14.5521 114.131 PRESSAVG: 3641400 10.8938 -57.2029 10.4029 -57.2029 -76.2091 -9.02649 10.4029 -9.02648 57.6423 GPRESSAVG: 3641400 11.2413 -56.2379 9.70929 -58.3006 -75.2954 -10.5111 10.635 -9.18468 56.2328 TIMING: 3641400 CPU: 10956.9, 0.0030262/step Wall: 10956.9, 0.0030262/step, 1.14206 hours remaining, 209.054688 MB of memory in use. ENERGY: 3641400 752.5464 2083.0121 1956.9896 111.6749 -206630.6939 17770.5495 0.0000 0.0000 34297.8122 -149658.1093 299.5313 -183955.9215 -149557.5121 298.1952 27.2664 63.0118 554810.2506 -2.5577 -2.6071 PRESSURE: 3641600 -15.1546 -26.9297 -124.824 -26.9305 -151.866 43.6773 -124.826 43.6767 -166.694 GPRESSURE: 3641600 -37.0997 -20.2787 -168.221 50.223 -86.3758 117.598 -16.209 -17.0429 -114.97 PRESSAVG: 3641600 26.4762 -1.21429 25.387 -1.2143 -23.0544 -52.2617 25.387 -52.2618 41.1711 GPRESSAVG: 3641600 25.9581 -3.75829 26.5105 -0.407344 -23.9358 -50.1895 24.469 -53.4182 42.4005 TIMING: 3641600 CPU: 10957.6, 0.00301997/step Wall: 10957.6, 0.00301997/step, 1.13954 hours remaining, 209.054688 MB of memory in use. ENERGY: 3641600 735.9433 2039.4203 1964.0298 130.9832 -206581.1936 17694.8148 0.0000 0.0000 34128.6671 -149887.3352 298.0541 -184016.0023 -149786.6388 297.4549 -111.2380 -79.4819 556543.6715 14.8643 14.8076 PRESSURE: 3641800 -272.789 -58.3248 189.468 -58.3248 51.2788 30.3441 189.469 30.3448 -165.344 GPRESSURE: 3641800 -265.527 -37.378 144.101 -44.4386 108.192 28.554 226.733 23.4106 -145.681 PRESSAVG: 3641800 -69.8928 -1.12857 45.7457 -1.12862 9.9725 -42.8463 45.7457 -42.8462 74.3503 GPRESSAVG: 3641800 -69.8545 0.56523 45.5853 -2.43105 11.2377 -42.8392 44.7794 -41.3266 73.3423 TIMING: 3641800 CPU: 10958.2, 0.00303267/step Wall: 10958.2, 0.00303267/step, 1.14416 hours remaining, 209.054688 MB of memory in use. ENERGY: 3641800 726.8067 2110.7353 1899.0970 121.0261 -206678.8021 17676.0102 0.0000 0.0000 34336.1098 -149809.0170 299.8658 -184145.1268 -149714.6564 298.0098 -128.9514 -101.0052 555792.5627 4.8100 4.9085 PRESSURE: 3642000 110.436 -35.6611 52.1048 -35.6611 -128.246 -35.8848 52.1046 -35.8837 -118.774 GPRESSURE: 3642000 159.973 -17.6479 31.1748 -24.213 -102.822 -0.167933 50.804 -124.995 -98.3652 PRESSAVG: 3642000 -5.39217 -63.2245 -31.0855 -63.2244 41.1082 33.5942 -31.0855 33.5943 -58.3406 GPRESSAVG: 3642000 -4.2427 -63.0448 -30.3394 -62.0785 40.1496 32.1452 -30.1249 34.1617 -58.4589 TIMING: 3642000 CPU: 10958.8, 0.00302337/step Wall: 10958.8, 0.00302337/step, 1.14048 hours remaining, 209.054688 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: 3642000 747.2750 2099.2871 1931.0729 110.2148 -206314.5998 17836.5364 0.0000 0.0000 33806.0204 -149784.1932 295.2364 -183590.2135 -149690.5077 297.9620 -45.5278 -13.7381 555479.8441 -7.5415 -7.5173 PRESSURE: 3642200 -111.097 44.4375 -209.926 44.4372 -92.7649 -20.5345 -209.926 -20.5341 -145.542 GPRESSURE: 3642200 -107.417 23.8526 -175.523 98.626 -40.0389 48.7419 -282.042 2.22473 -97.1272 PRESSAVG: 3642200 62.1068 -37.9033 -0.229458 -37.9032 6.84205 -8.51909 -0.229421 -8.51904 -72.632 GPRESSAVG: 3642200 61.3894 -39.194 -1.97649 -37.0299 7.48428 -7.74037 -0.256163 -10.1958 -72.7344 TIMING: 3642200 CPU: 10959.4, 0.0030219/step Wall: 10959.4, 0.0030219/step, 1.13976 hours remaining, 209.054688 MB of memory in use. ENERGY: 3642200 756.8084 2037.1724 1941.6157 129.4736 -206756.4982 17911.2182 0.0000 0.0000 34071.9489 -149908.2610 297.5588 -183980.2100 -149804.7896 297.1943 -116.4679 -81.5277 555539.1354 -1.2277 -1.2869 PRESSURE: 3642400 275.02 -66.9229 -12.2588 -66.9231 154.093 203.757 -12.2591 203.757 346.999 GPRESSURE: 3642400 316.719 -26.5064 -6.33884 8.7369 184.67 306.016 -44.4958 167.244 361.116 PRESSAVG: 3642400 46.0285 23.0557 33.0227 23.0557 45.6714 25.4817 33.0226 25.4818 -67.9522 GPRESSAVG: 3642400 45.6423 24.376 32.8204 21.9019 45.417 27.0281 33.3715 27.5882 -67.343 TIMING: 3642400 CPU: 10960, 0.00299329/step Wall: 10960, 0.00299329/step, 1.1288 hours remaining, 209.054688 MB of memory in use. ENERGY: 3642400 715.1244 2127.6519 1942.3877 115.5726 -206819.1969 18037.1935 0.0000 0.0000 33906.3491 -149974.9177 296.1126 -183881.2668 -149890.5123 297.2970 258.7039 287.5018 554449.3435 7.9159 7.9054 PRESSURE: 3642600 -41.9817 3.59641 31.3195 3.59711 80.284 -2.20857 31.3188 -2.20945 -176.711 GPRESSURE: 3642600 -31.1078 -2.80841 16.813 48.5451 78.8502 115.37 50.0254 -27.5949 -89.9883 PRESSAVG: 3642600 -52.1667 -71.252 30.8854 -71.2521 68.1432 15.2738 30.8854 15.2738 -47.5365 GPRESSAVG: 3642600 -50.9843 -70.0863 34.0405 -70.9486 68.0522 16.21 28.2039 13.9228 -47.867 TIMING: 3642600 CPU: 10960.6, 0.00297247/step Wall: 10960.6, 0.00297247/step, 1.12079 hours remaining, 209.054688 MB of memory in use. ENERGY: 3642600 749.0151 2050.1668 1946.9595 123.0227 -206454.0790 17651.8309 0.0000 0.0000 34044.2426 -149888.8414 297.3168 -183933.0840 -149790.5737 297.1735 -46.1363 -14.0820 554361.2869 -10.5200 -10.2664 PRESSURE: 3642800 -208.971 -54.8604 -59.9217 -54.8599 -117.98 -83.078 -59.9228 -83.0781 199.665 GPRESSURE: 3642800 -153.811 -132.831 -96.8982 -109.6 -63.4516 -166.083 -15.1228 -80.7069 188.029 PRESSAVG: 3642800 -26.3867 -50.468 2.59799 -50.468 96.073 -41.7013 2.59803 -41.7014 -0.59063 GPRESSAVG: 3642800 -27.5514 -52.6015 -0.730892 -50.2458 95.6842 -44.7212 4.43422 -42.2539 0.283198 TIMING: 3642800 CPU: 10961.2, 0.00301808/step Wall: 10961.2, 0.00301808/step, 1.13781 hours remaining, 209.054688 MB of memory in use. ENERGY: 3642800 716.6171 2102.2454 1931.2333 109.6072 -206623.6558 17803.5575 0.0000 0.0000 34245.2119 -149715.1833 299.0720 -183960.3953 -149611.7165 297.7937 -42.4287 -9.7446 555891.1114 23.0319 22.8053 PRESSURE: 3643000 -29.4644 -120.962 92.554 -120.962 285.032 0.430302 92.5546 0.431214 149.561 GPRESSURE: 3643000 33.2663 -83.2692 76.9839 -144.639 287.782 4.7338 108.65 98.736 189.328 PRESSAVG: 3643000 17.3394 -10.5653 12.9339 -10.5653 -14.6788 11.3305 12.9339 11.3305 27.8492 GPRESSAVG: 3643000 18.0608 -9.60199 12.7419 -8.73413 -14.9457 11.3409 14.7216 13.7134 27.512 TIMING: 3643000 CPU: 10961.8, 0.00299959/step Wall: 10961.8, 0.00299959/step, 1.13068 hours remaining, 209.054688 MB of memory in use. ENERGY: 3643000 762.0795 2060.7698 1945.9771 112.6613 -206669.1944 18080.4054 0.0000 0.0000 34145.7619 -149561.5393 298.2034 -183707.3012 -149466.4154 298.3288 135.0426 170.1256 556351.8225 10.1699 10.2090 PRESSURE: 3643200 31.884 -69.7962 25.4483 -69.795 -32.6247 -18.9016 25.4481 -18.9023 -113.348 GPRESSURE: 3643200 85.4332 -70.8924 17.0306 -127.228 -16.9624 -36.0623 -33.6785 -84.4031 -81.5599 PRESSAVG: 3643200 -24.0948 4.59679 46.5996 4.59685 32.5069 0.374581 46.5995 0.374582 -1.58614 GPRESSAVG: 3643200 -25.5843 4.70777 48.5485 3.24838 34.067 0.723765 44.7182 -1.10452 -2.1213 TIMING: 3643200 CPU: 10962.4, 0.00297448/step Wall: 10962.4, 0.00297448/step, 1.12105 hours remaining, 209.054688 MB of memory in use. ENERGY: 3643200 706.8455 2065.4825 1950.5661 109.8081 -206328.4085 17705.8408 0.0000 0.0000 34317.9256 -149471.9399 299.7070 -183789.8656 -149371.9960 298.2705 -38.0294 -4.3630 557068.1215 2.2753 2.1205 PRESSURE: 3643400 -97.8763 -18.5391 -79.2036 -18.5389 -185.328 -12.7544 -79.2034 -12.7541 -390.55 GPRESSURE: 3643400 -138.569 18.0022 -26.6628 -46.6317 -142.5 24.1306 -39.0292 -92.5751 -300.586 PRESSAVG: 3643400 35.1516 -13.1701 80.6336 -13.1701 8.55646 24.5744 80.6335 24.5745 -81.9779 GPRESSAVG: 3643400 35.1976 -11.6225 78.5934 -12.9292 7.97685 24.5578 81.8812 24.1352 -81.6711 TIMING: 3643400 CPU: 10963, 0.00300462/step Wall: 10963, 0.00300462/step, 1.13224 hours remaining, 209.054688 MB of memory in use. ENERGY: 3643400 708.1941 2093.5909 1942.3756 107.1255 -205751.3901 17386.1999 0.0000 0.0000 34294.4549 -149219.4492 299.5020 -183513.9041 -149122.4562 298.4672 -224.5846 -193.8850 558455.2887 -12.7566 -12.8322 PRESSURE: 3643600 57.6821 -59.0289 34.2377 -59.0306 208.113 96.2948 34.2375 96.2944 -3.41231 GPRESSURE: 3643600 121.029 -101.566 -10.5425 32.167 205.723 70.1359 116.869 44.1142 34.3871 PRESSAVG: 3643600 51.449 -31.1109 38.9246 -31.111 -8.07964 15.6955 38.9246 15.6957 -16.0686 GPRESSAVG: 3643600 50.5476 -33.8617 39.4212 -30.9276 -8.69308 15.4753 38.9319 15.989 -14.2369 TIMING: 3643600 CPU: 10963.6, 0.00299861/step Wall: 10963.6, 0.00299861/step, 1.12981 hours remaining, 209.054688 MB of memory in use. ENERGY: 3643600 700.6333 2175.2787 1942.1515 108.1836 -206543.2320 17981.4436 0.0000 0.0000 34258.5459 -149376.9954 299.1884 -183635.5413 -149282.4411 298.6853 87.4610 120.3798 557034.5280 9.1002 9.2059 PRESSURE: 3643800 -76.5579 98.5293 54.581 98.5275 -151.055 126.033 54.5814 126.03 -205.425 GPRESSURE: 3643800 -1.73984 33.565 -16.9561 77.1558 -144.716 108.349 96.491 100.139 -179.861 PRESSAVG: 3643800 26.253 -30.5021 57.8687 -30.5022 15.3791 36.6607 57.8687 36.6607 -1.41311 GPRESSAVG: 3643800 27.1995 -29.6694 59.0229 -28.6966 15.9167 37.3083 57.4949 37.5862 -3.14234 TIMING: 3643800 CPU: 10964.2, 0.00299443/step Wall: 10964.2, 0.00299443/step, 1.12807 hours remaining, 209.054688 MB of memory in use. ENERGY: 3643800 780.8931 2091.0864 1924.5004 118.6288 -206405.6014 17825.3624 0.0000 0.0000 34172.4044 -149492.7260 298.4361 -183665.1304 -149391.1434 298.0245 -144.3458 -108.7721 559249.5164 13.4063 13.3246 PRESSURE: 3644000 -87.1857 -88.9323 -16.9938 -88.9327 101.907 -167.736 -16.9944 -167.736 -81.8705 GPRESSURE: 3644000 -20.2081 -98.1588 7.85244 -51.7935 75.3608 -196.482 -13.6334 -86.6816 -23.0327 PRESSAVG: 3644000 -3.62932 83.1937 -35.6233 83.1938 15.6144 28.9653 -35.6233 28.9652 30.0702 GPRESSAVG: 3644000 -2.77412 81.8745 -36.7747 82.5422 14.5551 28.7898 -36.7948 28.8048 29.6301 TIMING: 3644000 CPU: 10964.8, 0.00299953/step Wall: 10964.8, 0.00299953/step, 1.12982 hours remaining, 209.054688 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: 3644000 758.4041 2109.1196 1932.6016 116.8417 -206775.0479 18032.4162 0.0000 0.0000 34397.9802 -149427.6845 300.4061 -183825.6647 -149324.8520 298.3098 -22.3831 10.7067 558987.5005 14.0184 13.8037 PRESSURE: 3644200 391.786 -5.17231 -2.54624 -5.17176 127.498 -35.4872 -2.54515 -35.4876 33.1366 GPRESSURE: 3644200 420.133 -4.19609 -64.2425 -25.6424 179.362 -38.9527 -26.2833 8.58494 43.9184 PRESSAVG: 3644200 23.4551 -22.3215 -45.9032 -22.3216 -32.6494 11.7993 -45.9031 11.7994 4.01633 GPRESSAVG: 3644200 22.645 -17.2788 -45.4717 -24.1149 -31.7072 13.263 -45.8118 11.7339 3.4901 TIMING: 3644200 CPU: 10965.4, 0.00297694/step Wall: 10965.4, 0.00297694/step, 1.12115 hours remaining, 209.054688 MB of memory in use. ENERGY: 3644200 730.2472 2072.3963 1939.3332 108.7264 -206739.5188 18222.2321 0.0000 0.0000 34197.7474 -149468.8362 298.6574 -183666.5837 -149373.9407 297.8913 184.1403 214.4712 559213.8922 -1.7260 -1.8574 LDB: ============= START OF LOAD BALANCING ============== 10968.9 LDB: ============== END OF LOAD BALANCING =============== 10968.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10968.9 LDB: ============= START OF LOAD BALANCING ============== 10969.2 LDB: Largest compute 4802 load 0.028778 is 24.3% of average load 0.118214 LDB: Average compute 0.001716 is 1.5% of average load 0.118214 LDB: TIME 10969.2 LOAD: AVG 0.118214 MAX 0.209236 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 212.797 MB LDB: TIME 10969.2 LOAD: AVG 0.118214 MAX 0.209236 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 212.922 MB LDB: TIME 10969.2 LOAD: AVG 0.118214 MAX 0.209236 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 212.922 MB LDB: ============== END OF LOAD BALANCING =============== 10969.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10969.2 PRESSURE: 3644400 81.498 98.1684 139.41 98.1675 -171.326 -124.591 139.41 -124.593 -52.7804 GPRESSURE: 3644400 103.126 34.4377 120.62 106.653 -151.543 46.4688 200.573 -177.65 -0.354512 PRESSAVG: 3644400 61.164 20.7835 -35.8915 20.7835 -57.6844 14.429 -35.8915 14.4291 34.111 GPRESSAVG: 3644400 61.7907 15.8222 -35.1501 22.5679 -59.2765 14.4518 -35.0263 14.1854 34.5679 TIMING: 3644400 CPU: 10966, 0.00306096/step Wall: 10966, 0.00306096/step, 1.15262 hours remaining, 210.800781 MB of memory in use. ENERGY: 3644400 788.1621 2102.4707 1922.7822 111.1747 -206559.6339 17894.0997 0.0000 0.0000 34274.6628 -149466.2818 299.3292 -183740.9445 -149375.3083 298.6159 -47.5361 -16.2572 557056.5956 12.5302 12.3607 PRESSURE: 3644600 -20.3036 75.9359 5.77698 75.9364 49.9591 172.819 5.77617 172.819 -35.623 GPRESSURE: 3644600 -0.541677 82.3437 -16.0777 117.054 31.2636 149.836 7.95611 235.129 51.265 PRESSAVG: 3644600 -31.3073 -52.0452 -19.4391 -52.0453 -94.0582 8.99003 -19.4392 8.98994 117.699 GPRESSAVG: 3644600 -30.5053 -51.1895 -18.6695 -52.7019 -94.3883 7.30474 -20.8971 9.85122 117.478 TIMING: 3644600 CPU: 10966.6, 0.0029819/step Wall: 10966.6, 0.0029819/step, 1.12269 hours remaining, 211.003906 MB of memory in use. ENERGY: 3644600 767.7692 2107.1913 1910.4141 124.0541 -206133.9181 17642.9746 0.0000 0.0000 34239.6930 -149341.8218 299.0238 -183581.5148 -149239.4265 299.1161 -1.9892 27.3290 557860.7760 -2.5554 -2.4720 PRESSURE: 3644800 -101.276 -70.6924 98.5451 -70.6942 -118.015 -157.553 98.5439 -157.553 292.256 GPRESSURE: 3644800 -80.9752 -71.9852 105.619 -8.58833 -69.1931 -173.652 149.199 -182.451 321.701 PRESSAVG: 3644800 -12.2786 -13.6492 -25.4894 -13.6492 -61.8212 -100.285 -25.4894 -100.285 73.9118 GPRESSAVG: 3644800 -13.4823 -12.6096 -26.0692 -12.5944 -61.2738 -101.042 -24.1071 -100.241 74.1924 TIMING: 3644800 CPU: 10967.2, 0.00301873/step Wall: 10967.2, 0.00301873/step, 1.13638 hours remaining, 211.003906 MB of memory in use. ENERGY: 3644800 738.6250 2048.0442 1947.5697 103.5811 -206128.3467 17733.4687 0.0000 0.0000 34417.0188 -149140.0393 300.5724 -183557.0581 -149033.5879 298.5440 24.3220 57.1776 558317.2413 -0.0627 -0.1879 PRESSURE: 3645000 -352.831 36.6944 -117.036 36.6946 256.36 -58.3802 -117.036 -58.3808 -123.058 GPRESSURE: 3645000 -256.898 -40.9802 -117.193 -6.90851 243.866 -67.6497 -50.6731 15.3696 -113.548 PRESSAVG: 3645000 -65.5289 51.3868 -59.6811 51.3867 36.6826 -25.8134 -59.681 -25.8133 1.70809 GPRESSAVG: 3645000 -64.8991 51.4564 -59.7026 49.9417 36.769 -25.867 -57.5747 -25.2821 1.01442 TIMING: 3645000 CPU: 10967.8, 0.00300758/step Wall: 10967.8, 0.00300758/step, 1.13202 hours remaining, 211.003906 MB of memory in use. ENERGY: 3645000 745.3698 2143.4181 1932.5080 113.4643 -206111.9204 17770.4258 0.0000 0.0000 34197.9770 -149208.7575 298.6594 -183406.7345 -149120.5367 299.3137 -73.1764 -42.1933 557533.8882 -9.0461 -9.0386 PRESSURE: 3645200 -60.4391 -65.425 -28.0431 -65.4246 -20.8925 68.4477 -28.0427 68.4468 60.8551 GPRESSURE: 3645200 0.177086 3.48004 -57.3624 -129.097 41.9376 13.5293 -16.0292 143.11 36.9117 PRESSAVG: 3645200 7.19207 42.829 -17.5205 42.8289 -19.1344 -79.5566 -17.5205 -79.5566 17.5101 GPRESSAVG: 3645200 7.41562 41.6549 -18.2045 42.6865 -19.4501 -78.6299 -18.2987 -79.3035 17.6858 TIMING: 3645200 CPU: 10968.4, 0.00300073/step Wall: 10968.4, 0.00300073/step, 1.12928 hours remaining, 211.003906 MB of memory in use. ENERGY: 3645200 754.4018 2132.4658 1940.2004 122.8910 -206227.1387 17924.5056 0.0000 0.0000 34163.8211 -149188.8530 298.3611 -183352.6741 -149097.4203 299.2510 -6.8255 26.3422 558289.7071 1.8559 1.8838 PRESSURE: 3645400 15.0877 -97.5695 -6.48687 -97.5701 -50.8789 6.50877 -6.48798 6.50913 20.0185 GPRESSURE: 3645400 69.2063 -6.18343 -43.7322 -29.893 -1.06815 -17.4177 -12.6929 -38.5067 15.437 PRESSAVG: 3645400 -43.8086 -45.6861 -18.1225 -45.6861 28.6387 22.9902 -18.1226 22.9902 -35.3987 GPRESSAVG: 3645400 -43.1222 -46.8754 -17.67 -43.4372 28.7643 23.3956 -19.3309 21.6491 -36.2765 TIMING: 3645400 CPU: 10969, 0.00301554/step Wall: 10969, 0.00301554/step, 1.13468 hours remaining, 211.003906 MB of memory in use. ENERGY: 3645400 739.7971 2099.8586 1940.5239 111.2887 -206251.2342 17783.6698 0.0000 0.0000 34419.7469 -149156.3493 300.5962 -183576.0962 -149064.1050 299.6519 -5.2576 27.8584 557277.6568 -16.8562 -16.8781 PRESSURE: 3645600 282.054 -25.6695 83.2933 -25.6701 65.4103 -100.626 83.2922 -100.626 237.098 GPRESSURE: 3645600 337.111 -67.9275 58.7522 -5.10194 94.567 -91.4826 69.2278 -40.9101 243.826 PRESSAVG: 3645600 29.2525 -9.12839 -11.3296 -9.12854 -16.1302 -8.9732 -11.3297 -8.97323 7.09341 GPRESSAVG: 3645600 28.4763 -5.92273 -10.7054 -10.3873 -16.0951 -7.58162 -11.8377 -11.3791 7.65454 TIMING: 3645600 CPU: 10969.6, 0.00299018/step Wall: 10969.6, 0.00299018/step, 1.12497 hours remaining, 211.003906 MB of memory in use. ENERGY: 3645600 743.8020 2047.5181 1953.9931 114.0135 -206474.1730 18136.1317 0.0000 0.0000 34448.1983 -149030.5163 300.8447 -183478.7147 -148936.2650 299.8322 194.8541 225.1678 557553.4817 6.7386 6.6786 PRESSURE: 3645800 -191.875 60.2036 -87.6118 60.2031 202.324 1.25429 -87.6127 1.25483 28.7861 GPRESSURE: 3645800 -128.488 88.9228 -44.1936 36.3254 215.23 -44.3053 -161.217 -32.173 45.3518 PRESSAVG: 3645800 -56.9784 -10.3115 26.6727 -10.3116 -11.5989 23.8567 26.6728 23.8566 61.7946 GPRESSAVG: 3645800 -56.7083 -12.2896 25.8679 -7.65597 -12.0209 22.3388 25.3453 26.439 62.2246 TIMING: 3645800 CPU: 10970.2, 0.00297619/step Wall: 10970.2, 0.00297619/step, 1.11954 hours remaining, 211.003906 MB of memory in use. ENERGY: 3645800 749.6192 2103.4917 1932.0642 122.3178 -206247.4365 17918.4014 0.0000 0.0000 34390.1992 -149031.3431 300.3382 -183421.5423 -148933.4610 299.7348 13.0784 44.0313 558748.0711 -2.2609 -2.1682 PRESSURE: 3646000 259.474 129.821 124.4 129.821 168.459 47.4064 124.4 47.4073 282.741 GPRESSURE: 3646000 255.252 63.4492 132.807 110.982 228.886 47.4737 152.665 12.8206 322.85 PRESSAVG: 3646000 -32.0731 23.0521 -0.955762 23.052 -59.4452 13.2897 -0.955705 13.2897 79.9175 GPRESSAVG: 3646000 -32.9964 24.98 -0.0818676 19.4468 -58.6758 14.3695 -0.137341 13.7744 80.2763 TIMING: 3646000 CPU: 10970.8, 0.00302002/step Wall: 10970.8, 0.00302002/step, 1.13586 hours remaining, 211.003906 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: 3646000 707.2752 2094.8795 1945.6359 125.2180 -206121.0355 17970.6886 0.0000 0.0000 34070.3309 -149207.0076 297.5447 -183277.3385 -149105.8588 298.9717 236.8912 268.9960 556836.6157 -3.8669 -3.7986 PRESSURE: 3646200 -46.7697 70.3807 -98.6699 70.3803 -176.407 49.952 -98.6702 49.9539 -103.626 GPRESSURE: 3646200 34.7337 24.7151 -132.975 85.3607 -174.578 0.727762 -134.265 79.0538 -90.7076 PRESSAVG: 3646200 3.80236 42.9632 -38.738 42.9631 -9.22036 -2.87378 -38.7381 -2.8739 33.4655 GPRESSAVG: 3646200 4.17886 41.1828 -39.6688 45.3905 -9.96283 -2.46542 -35.318 -3.92005 33.5297 TIMING: 3646200 CPU: 10971.4, 0.0030064/step Wall: 10971.4, 0.0030064/step, 1.13057 hours remaining, 211.003906 MB of memory in use. ENERGY: 3646200 735.4931 2134.9819 1941.1218 140.6140 -206022.1210 17656.3888 0.0000 0.0000 34126.7839 -149286.7374 298.0377 -183413.5213 -149187.3905 298.4439 -108.9343 -76.8507 558397.3186 9.3492 9.2486 PRESSURE: 3646400 -66.6448 -66.6792 -114.019 -66.6781 -188.896 2.69733 -114.019 2.69573 -224.991 GPRESSURE: 3646400 -53.0367 -22.1601 -146.093 -144.793 -147.353 -21.1598 -91.6826 15.7732 -182.196 PRESSAVG: 3646400 -75.3734 -22.1547 -31.7852 -22.1547 32.1255 55.4591 -31.7852 55.4591 33.7052 GPRESSAVG: 3646400 -76.0199 -21.7452 -30.7806 -22.7071 32.8847 56.1549 -35.3003 54.4207 33.92 TIMING: 3646400 CPU: 10972, 0.00298211/step Wall: 10972, 0.00298211/step, 1.12127 hours remaining, 211.003906 MB of memory in use. ENERGY: 3646400 748.2017 2043.0655 1942.0483 129.7973 -206240.7599 17631.1072 0.0000 0.0000 34295.4912 -149451.0487 299.5111 -183746.5399 -149351.0635 298.3179 -160.1774 -127.5286 556525.9934 -3.1809 -3.0717 PRESSURE: 3646600 40.8231 68.2229 -48.1005 68.2234 114.834 -90.6029 -48.1032 -90.6037 210.251 GPRESSURE: 3646600 37.5318 93.8752 -42.1764 33.9311 156.987 -176.508 10.0939 -42.7032 267.269 PRESSAVG: 3646600 -45.4021 15.84 49.4358 15.84 23.3755 45.1352 49.4358 45.1353 36.9477 GPRESSAVG: 3646600 -45.2037 16.3568 48.9395 13.2678 22.991 43.9625 50.935 46.2472 36.9861 TIMING: 3646600 CPU: 10972.6, 0.00298988/step Wall: 10972.6, 0.00298988/step, 1.12403 hours remaining, 211.003906 MB of memory in use. ENERGY: 3646600 755.2810 2018.8928 1933.0789 106.9424 -206739.2206 18167.1756 0.0000 0.0000 34239.2122 -149518.6377 299.0196 -183757.8499 -149432.8591 298.5666 121.9693 153.9293 555949.3122 4.9737 4.9245 PRESSURE: 3646800 -111.089 62.0535 16.7832 62.0548 27.9373 55.1269 16.7838 55.126 -344.534 GPRESSURE: 3646800 -48.6207 13.3821 130.254 31.5099 41.2673 36.7337 15.9568 -26.8546 -319.007 PRESSAVG: 3646800 37.3535 30.0871 12.153 30.0872 10.6055 18.2812 12.1531 18.2813 -11.5479 GPRESSAVG: 3646800 36.3821 28.525 12.7291 32.8131 11.3551 17.8767 11.4559 18.4799 -11.7621 TIMING: 3646800 CPU: 10973.2, 0.00298614/step Wall: 10973.2, 0.00298614/step, 1.12246 hours remaining, 211.003906 MB of memory in use. ENERGY: 3646800 749.4417 2083.8286 1947.2303 106.0553 -205994.2657 17603.8054 0.0000 0.0000 34159.3009 -149344.6035 298.3217 -183503.9043 -149250.6283 298.8146 -142.5620 -108.7868 557148.0082 12.1370 11.9917 PRESSURE: 3647000 60.441 99.2087 139.447 99.2093 -15.922 89.604 139.447 89.6043 181.888 GPRESSURE: 3647000 102.017 113.693 141.447 136.509 45.8481 123.116 145.345 198.21 192.169 PRESSAVG: 3647000 -80.092 11.3555 -16.5962 11.3554 23.5676 -29.272 -16.5962 -29.2721 43.8105 GPRESSAVG: 3647000 -78.692 13.8896 -17.7504 10.3656 23.6186 -29.8762 -15.378 -29.1163 42.6496 TIMING: 3647000 CPU: 10973.8, 0.00298411/step Wall: 10973.8, 0.00298411/step, 1.12153 hours remaining, 211.003906 MB of memory in use. ENERGY: 3647000 775.6875 2109.2809 1951.8381 108.0878 -206712.1920 18036.0196 0.0000 0.0000 34296.7547 -149434.5233 299.5221 -183731.2780 -149333.5124 298.5342 75.4690 113.3448 555920.7480 -4.2379 -4.1413 PRESSURE: 3647200 -128.853 53.1328 -14.1711 53.1322 170.673 100.469 -14.1719 100.469 148.437 GPRESSURE: 3647200 -108.656 22.2391 36.3626 109.018 237.293 175.816 -33.5511 -2.16969 159.052 PRESSAVG: 3647200 -83.7214 -12.2696 30.6078 -12.2696 -30.6462 12.4489 30.6078 12.4489 145.917 GPRESSAVG: 3647200 -84.5565 -11.8844 32.3853 -12.4504 -31.3524 14.1331 27.647 10.3652 147.542 TIMING: 3647200 CPU: 10974.3, 0.00295214/step Wall: 10974.3, 0.00295214/step, 1.10935 hours remaining, 211.003906 MB of memory in use. ENERGY: 3647200 707.9633 2021.8015 1938.4364 109.0834 -206765.6504 17971.6001 0.0000 0.0000 34615.5130 -149401.2528 302.3059 -184016.7657 -149304.2564 298.8319 63.4190 95.8961 554864.6896 10.5166 10.5442 PRESSURE: 3647400 246.359 56.8051 -41.1539 56.8052 91.7031 27.0319 -41.1538 27.0304 217.3 GPRESSURE: 3647400 252.159 57.8864 54.9698 56.6554 119.058 23.8634 -101.998 38.9776 264.543 PRESSAVG: 3647400 17.8285 -1.00288 8.85111 -1.00292 -9.57935 8.97296 8.8512 8.97278 1.7084 GPRESSAVG: 3647400 17.4221 -2.59634 7.87257 -0.554526 -9.57538 10.1405 9.3981 7.94539 1.97541 TIMING: 3647400 CPU: 10974.9, 0.0029874/step Wall: 10974.9, 0.0029874/step, 1.12243 hours remaining, 211.003906 MB of memory in use. ENERGY: 3647400 722.1344 2127.4857 1925.7007 108.3159 -206450.2984 18053.4081 0.0000 0.0000 34188.5006 -149324.7529 298.5767 -183513.2536 -149235.1672 299.4390 185.1207 211.9200 557150.2492 3.3192 3.2740 PRESSURE: 3647600 19.3239 -196.33 87.4626 -196.331 -25.4451 -159.06 87.4635 -159.059 41.7115 GPRESSURE: 3647600 50.0036 -185.839 102.992 -183.424 52.7338 -15.0807 92.9349 -228.434 36.7632 PRESSAVG: 3647600 65.7742 -0.862706 32.8027 -0.862713 -101.203 -14.3308 32.8027 -14.3307 -1.27795 GPRESSAVG: 3647600 66.8469 -1.43301 30.782 -0.105538 -100.663 -16.4686 35.1672 -11.713 -2.51275 TIMING: 3647600 CPU: 10975.5, 0.00301397/step Wall: 10975.5, 0.00301398/step, 1.13225 hours remaining, 211.003906 MB of memory in use. ENERGY: 3647600 712.0434 2123.2435 1938.0439 101.8591 -206098.5742 17739.0286 0.0000 0.0000 34403.3993 -149080.9564 300.4534 -183484.3557 -148986.3839 299.2902 11.8634 46.5002 557408.3021 -12.2355 -12.1097 PRESSURE: 3647800 -88.7278 -25.3825 114.186 -25.3816 -36.3277 -146.955 114.187 -146.953 231.901 GPRESSURE: 3647800 -64.1026 -58.8121 223.935 -44.4697 2.09956 -118.39 50.217 -136.719 261.944 PRESSAVG: 3647800 -10.9597 -5.27119 66.0711 -5.27121 -56.3194 21.3894 66.0712 21.3894 40.5783 GPRESSAVG: 3647800 -11.0574 -4.04933 68.1257 -6.66428 -56.4855 22.5338 63.9384 21.6057 40.9126 TIMING: 3647800 CPU: 10976.1, 0.00299019/step Wall: 10976.1, 0.00299019/step, 1.12315 hours remaining, 211.003906 MB of memory in use. ENERGY: 3647800 736.1084 2058.5562 1934.0205 129.6986 -206124.3272 17791.0971 0.0000 0.0000 34617.8702 -148856.9762 302.3265 -183474.8464 -148759.5409 300.1185 35.6150 66.6471 558100.5607 -8.9003 -8.8767 PRESSURE: 3648000 7.65883 -184.093 -25.972 -184.093 120.26 0.649558 -25.9728 0.649637 63.684 GPRESSURE: 3648000 124.362 -146.635 -67.606 -168.759 95.3996 117.48 -53.2386 10.0519 72.867 PRESSAVG: 3648000 2.35063 8.41968 62.5945 8.4197 64.7143 -2.80457 62.5945 -2.80467 -18.5669 GPRESSAVG: 3648000 2.10028 9.69492 61.9805 10.1506 64.5035 -2.4628 64.5686 -2.73457 -17.8251 TIMING: 3648000 CPU: 10976.7, 0.00302227/step Wall: 10976.7, 0.00302227/step, 1.13503 hours remaining, 211.003906 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: 3648000 735.7430 2104.8703 1935.8555 111.2699 -206077.1498 17737.9708 0.0000 0.0000 34535.0559 -148916.3845 301.6032 -183451.4404 -148816.9326 300.2180 63.8677 97.5430 557253.9911 16.1660 16.2596 PRESSURE: 3648200 105.616 -9.1925 -88.6005 -9.19331 -24.8639 -84.0552 -88.5994 -84.0549 -34.8919 GPRESSURE: 3648200 105.079 -65.7117 -127.84 8.61587 0.922831 -150.027 -81.7267 8.06409 36.7726 PRESSAVG: 3648200 23.1482 30.948 42.3463 30.948 33.6911 2.98743 42.3462 2.98753 -22.2721 GPRESSAVG: 3648200 23.2609 29.3362 40.6816 30.2404 33.1728 4.23249 41.3802 -0.123184 -21.4215 TIMING: 3648200 CPU: 10977.4, 0.00302486/step Wall: 10977.4, 0.00302486/step, 1.13584 hours remaining, 211.003906 MB of memory in use. ENERGY: 3648200 720.6713 2030.6085 1939.9743 113.3010 -205704.5012 17586.2414 0.0000 0.0000 34350.5749 -148963.1298 299.9921 -183313.7047 -148864.8642 300.6092 15.2869 47.5914 557364.6124 11.5224 11.6707 LDB: ============= START OF LOAD BALANCING ============== 10980.9 LDB: ============== END OF LOAD BALANCING =============== 10980.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10980.9 LDB: ============= START OF LOAD BALANCING ============== 10981.2 LDB: Largest compute 4802 load 0.030020 is 25.4% of average load 0.118287 LDB: Average compute 0.001712 is 1.4% of average load 0.118287 LDB: TIME 10981.2 LOAD: AVG 0.118287 MAX 0.209706 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.969 MB LDB: TIME 10981.2 LOAD: AVG 0.118287 MAX 0.209706 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.039 MB LDB: TIME 10981.2 LOAD: AVG 0.118287 MAX 0.209706 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.039 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10981.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10981.2 PRESSURE: 3648400 145.412 73.764 59.508 73.7642 0.331483 58.4923 59.5092 58.4919 -245.396 GPRESSURE: 3648400 216.655 -51.3687 66.2922 138.295 -16.3143 12.9085 -19.0734 46.4201 -196.313 PRESSAVG: 3648400 -3.11667 28.2529 29.7517 28.2528 10.9926 45.3833 29.7517 45.3834 -26.9849 GPRESSAVG: 3648400 -3.69186 26.3111 31.9945 29.8097 12.0131 44.7669 30.3091 46.9517 -27.3547 TIMING: 3648400 CPU: 10978, 0.00308074/step Wall: 10978, 0.00308074/step, 1.15665 hours remaining, 211.238281 MB of memory in use. ENERGY: 3648400 757.3368 2108.4499 1930.7928 108.9512 -205686.2231 17701.2094 0.0000 0.0000 34251.9421 -148827.5409 299.1307 -183079.4830 -148730.1258 299.8028 -33.2175 1.3426 557480.4497 -6.3697 -6.3445 PRESSURE: 3648600 -65.2738 99.4308 107.989 99.4303 -100.544 -62.2816 107.989 -62.2813 4.56739 GPRESSURE: 3648600 -23.4739 144.136 70.9458 10.0914 -82.2546 -17.2265 98.0392 -78.7215 47.1587 PRESSAVG: 3648600 31.9125 -11.8873 -53.809 -11.8874 25.9233 14.3469 -53.8091 14.3468 -65.9902 GPRESSAVG: 3648600 32.3319 -9.31445 -58.1275 -12.9427 26.2222 11.1998 -53.9897 16.0768 -67.0351 TIMING: 3648600 CPU: 10978.6, 0.0029922/step Wall: 10978.6, 0.0029922/step, 1.12324 hours remaining, 211.441406 MB of memory in use. ENERGY: 3648600 741.1074 2149.1741 1924.2922 112.2948 -205762.8912 17702.9365 0.0000 0.0000 34336.6326 -148796.4535 299.8704 -183133.0862 -148704.5034 300.2653 -53.7502 -19.5233 559649.4757 -2.7181 -2.8270 PRESSURE: 3648800 -51.195 153.879 -111.228 153.88 -94.8166 -66.1656 -111.228 -66.1638 -9.21276 GPRESSURE: 3648800 30.3824 103.001 -92.309 209.712 -79.96 -99.2683 -47.6833 -61.2791 -3.43587 PRESSAVG: 3648800 3.77379 38.0356 -18.9856 38.0356 -55.0134 -8.12607 -18.9857 -8.1261 32.9763 GPRESSAVG: 3648800 4.14499 38.1794 -16.5794 36.887 -56.5017 -8.11387 -19.9796 -6.79305 34.5521 TIMING: 3648800 CPU: 10979.2, 0.00299497/step Wall: 10979.2, 0.00299497/step, 1.12411 hours remaining, 211.441406 MB of memory in use. ENERGY: 3648800 771.0862 2069.8121 1960.8114 120.1433 -205817.6988 17773.0586 0.0000 0.0000 34425.4258 -148697.3614 300.6458 -183122.7872 -148591.2130 300.5498 -51.7414 -17.6711 558669.7405 -6.0878 -5.9348 PRESSURE: 3649000 -8.75559 -155.659 106.191 -155.659 114.872 71.5616 106.192 71.5627 324.391 GPRESSURE: 3649000 51.2816 -131.372 107.162 -147.703 129.019 148.185 130.875 80.7715 330.606 PRESSAVG: 3649000 18.1161 32.5392 -15.4323 32.5393 -12.0242 31.2457 -15.4323 31.2457 5.54748 GPRESSAVG: 3649000 17.2836 32.3579 -14.9226 31.8491 -10.5874 32.9219 -15.0856 30.3802 5.14725 TIMING: 3649000 CPU: 10979.8, 0.00301919/step Wall: 10979.8, 0.00301919/step, 1.13303 hours remaining, 211.441406 MB of memory in use. ENERGY: 3649000 720.6623 2123.3866 1946.8039 114.5737 -205648.0439 17841.4038 0.0000 0.0000 34245.8716 -148655.3420 299.0777 -182901.2136 -148558.9494 300.3064 143.5024 170.3024 558620.6471 3.8798 3.9478 PRESSURE: 3649200 261.696 -116.573 30.3506 -116.573 16.2801 -8.10683 30.3506 -8.10491 -37.2689 GPRESSURE: 3649200 283.817 -124.47 10.0678 -144.987 49.1495 48.2925 46.8302 102.768 -6.49051 PRESSAVG: 3649200 4.51111 -16.1578 -23.4425 -16.1578 -11.8577 -9.43884 -23.4425 -9.43886 -13.9399 GPRESSAVG: 3649200 5.80837 -17.5239 -22.2233 -14.3596 -12.6811 -10.3424 -24.1446 -10.2781 -14.3065 TIMING: 3649200 CPU: 10980.4, 0.00301153/step Wall: 10980.4, 0.00301153/step, 1.12999 hours remaining, 211.441406 MB of memory in use. ENERGY: 3649200 769.7485 2076.8776 1934.9709 115.1453 -205568.7866 17814.1287 0.0000 0.0000 34513.6224 -148344.2932 301.4160 -182857.9156 -148247.7453 300.6245 80.2357 108.8255 557288.4987 -7.0955 -7.0597 PRESSURE: 3649400 11.3037 1.52902 -219.52 1.53 134.941 1.59759 -219.521 1.59909 -191.33 GPRESSURE: 3649400 -10.7934 6.52697 -197.198 78.5215 164.753 -18.8427 -203.845 -98.0119 -111.271 PRESSAVG: 3649400 -12.0748 -11.2589 -26.1487 -11.2589 68.683 20.4303 -26.1487 20.4305 -43.3168 GPRESSAVG: 3649400 -12.6038 -11.7647 -24.9533 -11.1076 69.0231 20.8107 -25.2068 19.5805 -42.9001 TIMING: 3649400 CPU: 10981, 0.0029854/step Wall: 10981, 0.0029854/step, 1.12002 hours remaining, 211.441406 MB of memory in use. ENERGY: 3649400 766.5703 2093.5837 1973.8348 112.2597 -205712.0374 17803.1003 0.0000 0.0000 34521.1776 -148441.5109 301.4820 -182962.6885 -148342.8109 301.4770 -15.0284 14.2292 558199.1415 4.4305 4.5064 PRESSURE: 3649600 77.7719 -4.07408 -54.1095 -4.07334 190.436 4.19097 -54.1099 4.19108 49.6984 GPRESSURE: 3649600 123.331 -4.49049 -46.8564 3.87608 245.991 26.5931 12.3976 121.341 63.9807 PRESSAVG: 3649600 -6.39631 44.277 26.2536 44.2769 53.43 22.3504 26.2536 22.3504 1.98057 GPRESSAVG: 3649600 -6.61186 45.5945 25.2031 44.5983 54.2208 22.0254 25.8415 24.1796 1.63789 TIMING: 3649600 CPU: 10981.6, 0.00303119/step Wall: 10981.6, 0.00303119/step, 1.13703 hours remaining, 211.511719 MB of memory in use. ENERGY: 3649600 781.6446 2090.2059 1962.4841 101.4969 -205588.7449 17739.0946 0.0000 0.0000 34475.0843 -148438.7345 301.0795 -182913.8189 -148347.4885 302.0893 105.9688 144.4342 556309.4531 16.3381 16.4156 PRESSURE: 3649800 39.5919 56.4572 -98.8891 56.4555 234.234 106.143 -98.889 106.141 -139.03 GPRESSURE: 3649800 67.7654 54.8834 -131.441 74.935 260.199 108.017 -106.933 110.094 -109.749 PRESSAVG: 3649800 14.448 47.9291 60.9844 47.9292 -65.3116 86.1175 60.9844 86.1175 45.9027 GPRESSAVG: 3649800 14.9174 48.7089 61.1776 46.1912 -66.0658 87.1788 61.7824 86.0555 45.6396 TIMING: 3649800 CPU: 10982.2, 0.00302468/step Wall: 10982.2, 0.00302468/step, 1.13442 hours remaining, 211.511719 MB of memory in use. ENERGY: 3649800 743.8133 2115.5795 1951.5327 124.6124 -205643.3398 17778.8257 0.0000 0.0000 34344.2241 -148584.7521 299.9367 -182928.9762 -148494.5931 301.3317 44.9321 72.7384 557314.1212 -1.6537 -1.8362 PRESSURE: 3650000 32.4096 -85.6203 -20.3396 -85.6194 -134.07 -106.171 -20.3398 -106.171 66.4043 GPRESSURE: 3650000 115.015 -195.898 47.9982 -59.6832 -142.584 -91.1149 -137.567 -56.8298 78.9265 PRESSAVG: 3650000 21.3083 4.58302 19.284 4.58303 19.1966 69.3952 19.2839 69.3951 6.09373 GPRESSAVG: 3650000 21.1864 1.9791 19.8772 6.33579 18.9687 69.0405 17.9069 69.1611 6.24901 TIMING: 3650000 CPU: 10982.8, 0.00301406/step Wall: 10982.8, 0.00301406/step, 1.13027 hours remaining, 211.511719 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: 3650000 753.8927 2146.8011 1924.4191 115.3543 -205315.7816 17655.0248 0.0000 0.0000 34340.7707 -148379.5190 299.9065 -182720.2897 -148287.5693 301.4155 -11.7522 17.1193 558552.0445 15.5329 15.4680 PRESSURE: 3650200 -253.955 -103.713 96.6145 -103.712 -68.1063 128.685 96.6139 128.683 -173.205 GPRESSURE: 3650200 -181.966 -173.167 60.2218 -138.768 -30.2417 103.535 110.933 149.714 -181.107 PRESSAVG: 3650200 -58.8114 -20.7709 -73.3335 -20.7709 35.1859 -36.6084 -73.3334 -36.6084 22.8915 GPRESSAVG: 3650200 -59.177 -21.7197 -72.8822 -20.8902 34.892 -36.5096 -73.0362 -35.498 23.4571 TIMING: 3650200 CPU: 10983.4, 0.00299561/step Wall: 10983.4, 0.00299561/step, 1.12319 hours remaining, 211.722656 MB of memory in use. ENERGY: 3650200 715.8598 2102.8403 1959.7592 107.3295 -205084.9477 17347.1820 0.0000 0.0000 34307.7083 -148544.2686 299.6177 -182851.9769 -148445.1600 301.0055 -165.0887 -131.1050 558000.2557 -0.2446 -0.2760 PRESSURE: 3650400 -143.103 44.9631 98.5078 44.9636 126.079 -22.0608 98.5103 -22.0625 -155.792 GPRESSURE: 3650400 -99.2336 94.1309 -8.59018 -45.8398 133.302 44.2675 122.836 -20.2528 -112.035 PRESSAVG: 3650400 18.2486 11.2163 -8.06987 11.2163 -50.1734 -14.9722 -8.06988 -14.9722 40.2178 GPRESSAVG: 3650400 19.8887 12.5314 -8.16404 9.35086 -51.0654 -12.816 -7.30523 -16.8838 39.6423 TIMING: 3650400 CPU: 10984, 0.00296143/step Wall: 10984, 0.00296143/step, 1.11021 hours remaining, 211.722656 MB of memory in use. ENERGY: 3650400 738.6103 2047.9864 1929.3582 111.2380 -205570.1250 17619.3050 0.0000 0.0000 34588.9198 -148534.7073 302.0736 -183123.6271 -148434.1013 300.9102 -57.6053 -25.9889 559380.0022 2.7643 2.8219 PRESSURE: 3650600 -285.597 96.6611 -109.331 96.6605 63.3922 1.38462 -109.332 1.38299 -41.5664 GPRESSURE: 3650600 -256.752 22.4984 -95.3739 123.284 89.8246 5.65698 -36.565 -1.32022 -1.39227 PRESSAVG: 3650600 -28.983 48.4255 38.8171 48.4255 15.4297 -2.75806 38.8171 -2.75816 1.72051 GPRESSAVG: 3650600 -30.4253 47.302 40.1601 50.3816 16.3607 -4.20303 38.1235 -1.86022 2.53111 TIMING: 3650600 CPU: 10984.6, 0.0029713/step Wall: 10984.6, 0.0029713/step, 1.11374 hours remaining, 211.722656 MB of memory in use. ENERGY: 3650600 750.9919 2068.3359 1941.7822 100.9395 -205519.3934 17598.5193 0.0000 0.0000 34489.6115 -148569.2131 301.2064 -183058.8246 -148469.8437 301.0637 -87.9239 -56.1066 559248.2419 -3.9443 -3.8445 PRESSURE: 3650800 19.0434 106.467 187.193 106.466 -8.57442 -77.4721 187.193 -77.473 102.897 GPRESSURE: 3650800 49.1926 150.252 103.665 38.3997 7.30293 -14.3851 132.106 -86.3599 142.313 PRESSAVG: 3650800 -45.1086 -16.2076 52.7392 -16.2076 -77.417 -31.2374 52.7392 -31.2375 76.5333 GPRESSAVG: 3650800 -44.3024 -16.1836 51.1927 -17.0625 -77.4366 -32.3764 52.623 -30.0082 75.8035 TIMING: 3650800 CPU: 10985.2, 0.00298155/step Wall: 10985.2, 0.00298155/step, 1.11742 hours remaining, 211.722656 MB of memory in use. ENERGY: 3650800 772.1766 2041.0539 1969.3998 97.1309 -205611.2291 17711.8321 0.0000 0.0000 34447.4186 -148572.2172 300.8379 -183019.6358 -148475.7603 301.0626 37.7888 66.2694 559920.5482 -15.3308 -15.3118 PRESSURE: 3651000 -78.6853 34.5522 -52.7422 34.552 36.8698 -222.787 -52.7425 -222.786 -143.33 GPRESSURE: 3651000 -56.1427 -4.56434 -79.2082 62.323 70.5216 -79.1903 3.43639 -208.738 -98.1558 PRESSAVG: 3651000 2.34888 28.8348 1.66214 28.8348 -40.4536 -53.5485 1.66221 -53.5485 25.7785 GPRESSAVG: 3651000 2.2967 29.3285 1.2763 28.7419 -40.2519 -53.0011 1 -55.0286 26.13 TIMING: 3651000 CPU: 10985.8, 0.00297471/step Wall: 10985.8, 0.00297471/step, 1.11469 hours remaining, 211.722656 MB of memory in use. ENERGY: 3651000 735.0335 2094.3473 1905.5596 119.2109 -205289.6639 17398.9789 0.0000 0.0000 34381.9844 -148654.5493 300.2664 -183036.5337 -148559.1211 301.1213 -61.7151 -27.9256 558924.9332 -4.1088 -3.9417 PRESSURE: 3651200 44.392 -142.742 2.35912 -142.741 -86.1437 -37.7871 2.35927 -37.7889 -116.487 GPRESSURE: 3651200 61.8056 -71.7772 -43.8139 -212.715 -39.3781 -2.34952 162.299 -107.393 -94.984 PRESSAVG: 3651200 -6.58887 28.2058 42.7977 28.2059 -20.0581 5.34387 42.7976 5.34387 26.139 GPRESSAVG: 3651200 -6.45587 28.4311 43.1571 30.1051 -20.6514 4.74504 43.9966 7.1646 26.683 TIMING: 3651200 CPU: 10986.4, 0.00294616/step Wall: 10986.4, 0.00294616/step, 1.10383 hours remaining, 211.722656 MB of memory in use. ENERGY: 3651200 734.1519 2051.1736 1904.8582 114.9769 -205752.1986 17727.6396 0.0000 0.0000 34427.0403 -148792.3580 300.6599 -183219.3983 -148692.1084 300.4382 -52.7464 -24.1855 558278.1829 -0.1693 -0.1415 PRESSURE: 3651400 -11.0452 130.867 -31.1777 130.868 -262.455 49.0974 -31.1775 49.0956 -251.189 GPRESSURE: 3651400 -20.8094 167.065 2.33817 174.122 -207.484 38.0575 -70.8121 6.10221 -187.816 PRESSAVG: 3651400 20.1209 -20.0202 20.6832 -20.0202 -1.61696 7.81425 20.6832 7.81429 -43.204 GPRESSAVG: 3651400 20.7318 -18.6552 19.6409 -22.639 -0.697295 8.812 20.9171 5.21373 -44.7927 TIMING: 3651400 CPU: 10987, 0.00299405/step Wall: 10987, 0.00299405/step, 1.12161 hours remaining, 211.722656 MB of memory in use. ENERGY: 3651400 737.1141 2091.4707 1953.7570 122.9552 -205710.8922 17535.0281 0.0000 0.0000 34364.7082 -148905.8589 300.1155 -183270.5671 -148809.8279 300.2728 -174.8967 -138.7029 558486.6050 -8.2334 -8.2527 PRESSURE: 3651600 157.295 51.1284 152.111 51.1284 -229.704 4.08912 152.11 4.08844 172.315 GPRESSURE: 3651600 204.656 51.8469 118.77 -15.1176 -203.144 33.8693 217.611 -32.2345 190.158 PRESSAVG: 3651600 60.2869 -28.4072 40.0782 -28.4072 -89.8867 2.5159 40.0783 2.5158 32.7004 GPRESSAVG: 3651600 58.3306 -29.4506 40.9564 -29.4135 -89.9116 1.14883 42.2521 5.07861 34.5308 TIMING: 3651600 CPU: 10987.6, 0.00300129/step Wall: 10987.6, 0.00300129/step, 1.12415 hours remaining, 211.722656 MB of memory in use. ENERGY: 3651600 729.6544 2059.3053 1956.5873 123.9016 -205710.2838 17677.2013 0.0000 0.0000 34298.5198 -148865.1140 299.5375 -183163.6339 -148770.2950 300.5728 33.3019 63.8901 558572.5548 1.0336 0.9833 PRESSURE: 3651800 -75.1259 86.2519 -64.6866 86.2506 -63.6904 -13.4653 -64.6868 -13.4651 -415.434 GPRESSURE: 3651800 -27.2676 122.88 -30.3792 38.6586 -38.9929 11.6012 -76.3194 -76.7118 -396.207 PRESSAVG: 3651800 34.7773 -11.4787 -13.632 -11.4786 -40.3975 -54.1085 -13.632 -54.1084 36.1687 GPRESSAVG: 3651800 35.1321 -13.5447 -13.8676 -8.66724 -39.4442 -53.3328 -14.2282 -57.9275 35.1893 TIMING: 3651800 CPU: 10988.1, 0.00298682/step Wall: 10988.1, 0.00298682/step, 1.11856 hours remaining, 211.722656 MB of memory in use. ENERGY: 3651800 710.0588 2033.7393 1953.4521 130.7000 -205523.5171 17525.3678 0.0000 0.0000 34213.9165 -148956.2827 298.7986 -183170.1992 -148853.7670 300.0957 -184.7501 -154.1560 558285.0654 10.1828 10.2924 PRESSURE: 3652000 464.758 90.1159 86.2437 90.1152 170.833 80.3683 86.2446 80.3684 107.044 GPRESSURE: 3652000 543.479 156.183 115.463 81.8005 209.413 92.6418 20.6054 20.3401 59.2642 PRESSAVG: 3652000 44.6418 8.9206 55.5167 8.92057 -18.8421 -64.7165 55.5169 -64.7167 -42.535 GPRESSAVG: 3652000 45.3524 9.93568 55.9945 7.19649 -19.2609 -64.468 55.0748 -64.1917 -43.2156 TIMING: 3652000 CPU: 10988.7, 0.00297839/step Wall: 10988.7, 0.00297839/step, 1.11524 hours remaining, 211.722656 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: 3652000 728.3338 2125.1115 1945.6205 107.9036 -206504.4089 18076.9774 0.0000 0.0000 34490.8769 -149029.5851 301.2174 -183520.4620 -148929.4521 300.2116 247.5453 270.7187 556199.1507 -5.5784 -5.7080 PRESSURE: 3652200 -106.776 -91.7541 -128.233 -91.7537 39.6615 70.131 -128.233 70.1315 -82.4307 GPRESSURE: 3652200 -89.8423 -53.9193 -107.498 -51.5763 69.8222 34.7816 -141.965 73.7769 -33.1627 PRESSAVG: 3652200 53.0634 47.6634 -15.5925 47.6634 -22.7201 -43.302 -15.5924 -43.3019 -0.488569 GPRESSAVG: 3652200 51.6509 48.1855 -17.2266 46.2145 -22.5755 -41.1232 -15.8367 -42.0439 0.365043 TIMING: 3652200 CPU: 10989.3, 0.0029938/step Wall: 10989.3, 0.0029938/step, 1.12085 hours remaining, 211.722656 MB of memory in use. ENERGY: 3652200 740.4222 2137.4630 1947.9692 121.0325 -205984.2221 17821.6574 0.0000 0.0000 34160.4143 -149055.2634 298.3314 -183215.6778 -148959.0107 299.2726 -49.8483 -17.7276 557912.2764 9.9516 9.8135 LDB: ============= START OF LOAD BALANCING ============== 10992.9 LDB: ============== END OF LOAD BALANCING =============== 10992.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10992.9 LDB: ============= START OF LOAD BALANCING ============== 10993.2 LDB: Largest compute 4802 load 0.029487 is 24.9% of average load 0.118245 LDB: Average compute 0.001717 is 1.5% of average load 0.118245 LDB: TIME 10993.2 LOAD: AVG 0.118245 MAX 0.210791 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.578 MB LDB: TIME 10993.2 LOAD: AVG 0.118245 MAX 0.210791 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.578 MB LDB: TIME 10993.2 LOAD: AVG 0.118245 MAX 0.210791 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.578 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10993.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10993.2 PRESSURE: 3652400 70.0459 -113.28 -49.1414 -113.279 169.333 -116.782 -49.1404 -116.781 68.2667 GPRESSURE: 3652400 64.4732 -35.1042 -12.5586 -171.873 294.596 -138.426 -142.323 -81.0941 34.5576 PRESSAVG: 3652400 -23.5199 2.58692 -0.189003 2.58697 60.9548 11.0609 -0.189106 11.0609 -41.363 GPRESSAVG: 3652400 -23.2398 2.53667 1.72927 3.29927 61.3734 8.73949 -2.24402 10.4182 -41.9918 TIMING: 3652400 CPU: 10990, 0.00304842/step Wall: 10990, 0.00304842/step, 1.14113 hours remaining, 209.511719 MB of memory in use. ENERGY: 3652400 735.3737 2094.6088 1945.6204 104.5415 -206226.1951 18084.0032 0.0000 0.0000 34291.1336 -148970.9139 299.4730 -183262.0475 -148879.3884 299.6452 102.5485 131.2089 557297.4802 -1.3093 -1.2861 PRESSURE: 3652600 -189.703 -62.218 33.8599 -62.2171 226.523 90.1264 33.8583 90.1266 -153.643 GPRESSURE: 3652600 -160.177 -27.5703 24.1991 -13.6357 245.109 51.9967 6.28619 132.373 -102.687 PRESSAVG: 3652600 45.0216 18.6907 -36.3938 18.6908 0.892247 -16.7162 -36.3937 -16.7162 -44.5958 GPRESSAVG: 3652600 45.0965 18.947 -37.1043 18.6551 0.5652 -17.441 -34.3131 -14.2723 -44.222 TIMING: 3652600 CPU: 10990.6, 0.0030221/step Wall: 10990.6, 0.0030221/step, 1.13111 hours remaining, 209.656250 MB of memory in use. ENERGY: 3652600 749.4686 2132.5547 1956.7497 104.2877 -205901.4519 17613.8288 0.0000 0.0000 34285.8147 -149058.7477 299.4265 -183344.5623 -148963.9868 300.0461 -38.9407 -5.9183 559329.6454 0.4393 0.4799 PRESSURE: 3652800 -69.3931 111.533 -161.697 111.533 -215.567 137.189 -161.696 137.19 -13.8397 GPRESSURE: 3652800 -67.5586 26.7218 -254.006 204.427 -158.548 221.385 -129.636 -26.7047 37.8724 PRESSAVG: 3652800 9.64126 -14.7957 -29.5828 -14.7956 22.9573 -16.5353 -29.5828 -16.5354 -68.7269 GPRESSAVG: 3652800 10.5954 -15.2479 -30.2282 -14.9107 22.7015 -14.2362 -29.0091 -18.1722 -68.8369 TIMING: 3652800 CPU: 10991.2, 0.00299348/step Wall: 10991.2, 0.00299348/step, 1.12023 hours remaining, 209.949219 MB of memory in use. ENERGY: 3652800 749.5685 2110.5110 1918.9447 108.0547 -205804.8695 17561.9120 0.0000 0.0000 34254.5058 -149101.3728 299.1531 -183355.8786 -149000.7105 300.0352 -99.6000 -62.7448 557796.6268 -12.0428 -11.8466 PRESSURE: 3653000 104.959 205.205 23.3496 205.206 -161.783 -99.4038 23.3492 -99.4043 -166.305 GPRESSURE: 3653000 93.2254 204.099 -41.2678 203.515 -100.874 -175.233 22.7705 59.6719 -113.607 PRESSAVG: 3653000 33.2431 47.4083 -30.3698 47.4082 9.14227 -36.0956 -30.3698 -36.0956 -21.6786 GPRESSAVG: 3653000 34.6431 46.6567 -31.0682 46.7493 8.95418 -39.0306 -31.7488 -37.2759 -22.7421 TIMING: 3653000 CPU: 10991.8, 0.00300036/step Wall: 10991.8, 0.00300036/step, 1.12264 hours remaining, 209.949219 MB of memory in use. ENERGY: 3653000 751.8466 2065.6621 1953.1484 115.2906 -205942.4956 17607.3229 0.0000 0.0000 34257.8640 -149191.3610 299.1824 -183449.2250 -149091.3466 298.4616 -74.3762 -40.4186 556935.8761 6.9022 6.9517 PRESSURE: 3653200 -102.044 -106.24 -109.572 -106.239 -71.7682 -20.0219 -109.571 -20.0206 -73.749 GPRESSURE: 3653200 -61.449 -136.085 -100.606 -98.2187 -56.7928 86.7931 -62.6771 -41.5507 -32.6494 PRESSAVG: 3653200 60.4581 -20.4092 -3.32676 -20.4091 -30.7055 -10.3529 -3.32682 -10.3528 -28.3895 GPRESSAVG: 3653200 59.4098 -19.5896 -0.809214 -20.3608 -30.9878 -8.00871 -4.40505 -10.6667 -27.4036 TIMING: 3653200 CPU: 10992.4, 0.00299077/step Wall: 10992.4, 0.00299077/step, 1.11888 hours remaining, 209.949219 MB of memory in use. ENERGY: 3653200 777.3864 2084.8273 1939.4839 94.5325 -205841.9783 17643.1419 0.0000 0.0000 34109.3133 -149193.2930 297.8851 -183302.6063 -149101.0131 299.0671 -82.5205 -50.2971 558983.7495 0.4543 0.3395 PRESSURE: 3653400 -111.952 24.9815 146.031 24.9816 -138.498 229.736 146.031 229.736 63.5036 GPRESSURE: 3653400 -78.6384 -28.8195 125.415 75.0791 -106.766 178.732 135.591 258.525 102.255 PRESSAVG: 3653400 16.2859 5.19315 40.0184 5.19326 -48.4347 35.4802 40.0184 35.4804 26.1792 GPRESSAVG: 3653400 16.2011 4.14551 37.8048 4.31818 -47.9181 35.1573 39.8067 35.977 25.3728 TIMING: 3653400 CPU: 10993, 0.00300884/step Wall: 10993, 0.00300884/step, 1.12547 hours remaining, 209.949219 MB of memory in use. ENERGY: 3653400 761.2161 2073.1537 1934.3910 106.7865 -205925.8658 17653.1131 0.0000 0.0000 34195.0884 -149202.1170 298.6342 -183397.2054 -149096.6474 299.0112 -62.3156 -27.7167 556268.8812 -1.9899 -2.1147 PRESSURE: 3653600 -28.1963 -36.9086 8.3592 -36.909 53.9468 72.85 8.3602 72.8486 11.2615 GPRESSURE: 3653600 2.15101 10.6529 62.5209 -108.096 93.032 43.512 60.4809 42.3384 37.2469 PRESSAVG: 3653600 -43.9745 15.9119 -5.24424 15.912 60.9698 67.3258 -5.24426 67.326 -65.6344 GPRESSAVG: 3653600 -43.6461 16.1524 -4.20449 17.8644 61.7355 64.9615 -5.64956 68.7966 -66.7071 TIMING: 3653600 CPU: 10993.6, 0.00304809/step Wall: 10993.6, 0.00304809/step, 1.13999 hours remaining, 209.949219 MB of memory in use. ENERGY: 3653600 757.3426 2105.1868 1937.9454 115.7858 -206020.8372 17810.7069 0.0000 0.0000 34362.0852 -148931.7845 300.0926 -183293.8697 -148833.3620 299.1578 12.3373 44.1433 558202.6956 -16.2130 -16.2059 PRESSURE: 3653800 90.2996 -57.4196 -23.313 -57.4202 68.6891 102.796 -23.3142 102.795 48.1179 GPRESSURE: 3653800 133.241 -91.2798 -22.789 -23.4506 100.564 123.912 5.77804 106.879 77.9733 PRESSAVG: 3653800 19.4333 -19.1192 35.0183 -19.1193 -97.6041 71.7577 35.0182 71.7577 77.2506 GPRESSAVG: 3653800 18.5505 -19.17 32.9623 -21.1063 -97.6356 75.3437 37.433 70.8798 77.5852 TIMING: 3653800 CPU: 10994.2, 0.00303086/step Wall: 10994.2, 0.00303086/step, 1.13337 hours remaining, 209.949219 MB of memory in use. ENERGY: 3653800 765.4960 2083.0933 1966.6984 109.1797 -206215.7870 17828.6853 0.0000 0.0000 34324.9489 -149137.6855 299.7683 -183462.6343 -149043.0519 300.3223 69.0355 103.9260 556684.7359 -0.3067 -0.5000 PRESSURE: 3654000 31.2095 -46.3638 -68.0006 -46.3642 -105.162 -0.489053 -68.0003 -0.491071 -138.178 GPRESSURE: 3654000 84.7107 -26.0321 75.0221 -121.273 -66.1466 55.9865 -128.292 -45.7535 -114.782 PRESSAVG: 3654000 39.7372 -63.859 33.199 -63.8591 -67.9682 9.90858 33.1989 9.90858 36.8418 GPRESSAVG: 3654000 39.1464 -63.8453 35.4757 -63.4153 -68.571 8.37091 33.5596 9.96298 37.8627 TIMING: 3654000 CPU: 10994.8, 0.00304932/step Wall: 10994.8, 0.00304932/step, 1.14011 hours remaining, 209.949219 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: 3654000 768.5453 2147.2727 1947.7011 117.0773 -206184.6556 17732.4040 0.0000 0.0000 34354.5199 -149117.1353 300.0266 -183471.6552 -149020.5495 299.2898 -70.7100 -32.0727 557047.7754 2.8703 2.8127 PRESSURE: 3654200 -268.365 -135.692 -63.2395 -135.692 150.824 -53.2431 -63.2386 -53.2446 -45.5102 GPRESSURE: 3654200 -180.489 -176.321 -118.305 -74.341 105.665 16.9129 -40.6239 -84.5881 8.55435 PRESSAVG: 3654200 -67.4656 -54.9533 -7.70007 -54.9533 30.2056 14.658 -7.70008 14.6579 52.6564 GPRESSAVG: 3654200 -66.5245 -52.4135 -9.11241 -54.6962 30.7312 14.59 -8.45624 15.2694 51.2285 TIMING: 3654200 CPU: 10995.4, 0.00303322/step Wall: 10995.4, 0.00303322/step, 1.13392 hours remaining, 209.949219 MB of memory in use. ENERGY: 3654200 747.5239 2151.5026 1961.0665 110.4677 -205790.1157 17602.2256 0.0000 0.0000 34289.5154 -148927.8139 299.4589 -183217.3293 -148831.0063 299.6868 -54.3505 -22.0901 557990.3681 5.1321 5.1451 PRESSURE: 3654400 61.9325 -164.565 -115.725 -164.565 13.8725 -220.478 -115.726 -220.479 -117.165 GPRESSURE: 3654400 47.9846 -27.5534 -78.9278 -217.223 81.0776 -173.694 -71.5553 -193.186 -62.5411 PRESSAVG: 3654400 -71.6466 -49.6697 -17.2055 -49.6697 57.4615 -1.44849 -17.2057 -1.44852 13.4314 GPRESSAVG: 3654400 -70.4258 -53.2974 -18.2848 -49.2934 56.118 -0.396711 -15.6374 -2.79308 14.0474 TIMING: 3654400 CPU: 10996, 0.00302212/step Wall: 10996, 0.00302212/step, 1.1296 hours remaining, 209.949219 MB of memory in use. ENERGY: 3654400 762.9447 2113.5228 1961.0551 113.4124 -206099.4322 17777.2194 0.0000 0.0000 34323.7732 -149047.5046 299.7580 -183371.2778 -148936.4127 300.3721 -13.7868 22.1737 556632.5199 -0.2513 -0.0868 PRESSURE: 3654600 248.774 -53.646 -335.43 -53.6466 -273.899 -41.7295 -335.429 -41.7294 -20.4764 GPRESSURE: 3654600 226.031 -121.032 -335.363 -78.7588 -244.156 -7.73778 -201.926 -114.133 61.706 PRESSAVG: 3654600 -64.7205 -21.4758 -7.12991 -21.4759 -27.7686 -12.9627 -7.12986 -12.9627 84.4455 GPRESSAVG: 3654600 -65.4225 -21.1522 -5.71988 -22.1318 -28.1903 -14.0622 -9.18422 -12.9838 84.9527 TIMING: 3654600 CPU: 10996.6, 0.00303715/step Wall: 10996.6, 0.00303715/step, 1.13505 hours remaining, 209.949219 MB of memory in use. ENERGY: 3654600 726.7012 2138.6193 1956.4158 127.5678 -206268.3181 17903.2139 0.0000 0.0000 34082.4396 -149333.3605 297.6504 -183415.8002 -149238.1792 299.5447 -15.2002 14.5272 557207.5055 -2.6812 -2.8867 PRESSURE: 3654800 -302.027 -10.1649 95.1187 -10.1654 -171.656 130.215 95.1195 130.215 -229.143 GPRESSURE: 3654800 -225.337 5.57183 114.62 20.4702 -135.432 146.608 43.2441 183.128 -240.739 PRESSAVG: 3654800 -43.8521 -62.7476 -11.47 -62.7476 13.9303 17.1291 -11.47 17.1291 8.82868 GPRESSAVG: 3654800 -44.4757 -61.3086 -9.2066 -64.0344 15.6336 17.3123 -12.3026 17.3872 8.00736 TIMING: 3654800 CPU: 10997.2, 0.00301039/step Wall: 10997.2, 0.00301039/step, 1.12488 hours remaining, 209.949219 MB of memory in use. ENERGY: 3654800 760.9814 2088.3181 1944.9988 123.5411 -206210.2368 17559.1709 0.0000 0.0000 34334.6126 -149398.6138 299.8527 -183733.2265 -149302.5864 298.6684 -234.2754 -200.5028 557240.3226 -7.0310 -6.9449 PRESSURE: 3655000 -78.0831 24.8455 72.7798 24.845 123.886 -13.1913 72.7802 -13.1903 -136.404 GPRESSURE: 3655000 -45.8934 9.23316 47.0336 62.5178 140.572 70.4255 77.6744 -28.9373 -95.2017 PRESSAVG: 3655000 -10.9323 -5.5181 -15.83 -5.51803 39.2295 36.8779 -15.8301 36.878 -73.6661 GPRESSAVG: 3655000 -9.76228 -7.66431 -17.132 -3.3876 37.7099 39.3791 -14.6823 36.4922 -73.4543 TIMING: 3655000 CPU: 10997.8, 0.00302552/step Wall: 10997.8, 0.00302552/step, 1.13037 hours remaining, 209.949219 MB of memory in use. ENERGY: 3655000 737.2047 2138.3442 1950.0040 104.3930 -206283.3607 17771.7613 0.0000 0.0000 34311.2297 -149270.4238 299.6485 -183581.6535 -149169.2915 299.3155 -30.2002 -0.1744 558398.2179 -15.1229 -15.1689 PRESSURE: 3655200 -2.75749 -166.784 -22.9038 -166.782 -70.8715 -55.1913 -22.9031 -55.1907 -107.958 GPRESSURE: 3655200 9.21398 -200.78 -36.2033 -192.665 -21.2358 -6.54443 8.17894 -69.9297 -85.8676 PRESSAVG: 3655200 28 -8.8431 77.9591 -8.84319 9.41284 -11.8284 77.9592 -11.8285 -20.4578 GPRESSAVG: 3655200 25.3757 -7.43175 76.009 -11.0835 12.0537 -14.1093 78.7878 -11.6923 -20.62 TIMING: 3655200 CPU: 10998.4, 0.00301923/step Wall: 10998.4, 0.00301923/step, 1.12785 hours remaining, 209.949219 MB of memory in use. ENERGY: 3655200 736.8942 2119.6834 1936.1790 113.6132 -205900.9964 17505.7129 0.0000 0.0000 34279.6311 -149209.2826 299.3725 -183488.9137 -149104.5805 299.5175 -60.5292 -32.6298 556050.9150 5.6517 5.6031 PRESSURE: 3655400 63.9499 -86.7162 44.9889 -86.7156 -49.6429 -234.391 44.9894 -234.39 62.0445 GPRESSURE: 3655400 126.914 -4.9884 63.1434 -159.57 -13.1328 -162.589 18.3819 -312.779 61.2447 PRESSAVG: 3655400 52.9414 3.07788 -6.70118 3.07796 -18.4059 -6.51098 -6.70112 -6.51086 -16.779 GPRESSAVG: 3655400 54.5858 3.30458 -3.62753 5.59189 -19.1736 -6.3798 -7.69304 -5.8116 -17.2439 TIMING: 3655400 CPU: 10999, 0.00300188/step Wall: 10999, 0.00300188/step, 1.1212 hours remaining, 209.949219 MB of memory in use. ENERGY: 3655400 696.5120 2144.3857 1972.5055 120.1455 -206353.1148 17828.9825 0.0000 0.0000 34457.7207 -149132.8629 300.9278 -183590.5836 -149033.6195 299.7328 25.4505 58.3421 556891.4156 5.9188 6.0561 PRESSURE: 3655600 -80.7568 16.3951 123.712 16.3958 2.87978 -85.1147 123.713 -85.1149 60.4809 GPRESSURE: 3655600 -38.2979 4.73557 69.0494 14.505 -9.6897 -59.6569 138.998 -125.447 123.582 PRESSAVG: 3655600 -2.62518 -1.16953 39.2784 -1.16962 11.4718 -13.4414 39.2784 -13.4414 24.0296 GPRESSAVG: 3655600 -3.08996 -1.30282 37.3415 -1.32351 11.0856 -14.4401 39.9395 -12.5831 24.3561 TIMING: 3655600 CPU: 10999.6, 0.00299898/step Wall: 10999.6, 0.00299898/step, 1.11995 hours remaining, 209.949219 MB of memory in use. ENERGY: 3655600 740.0274 2080.2034 1978.2739 108.7830 -206154.4592 17915.1767 0.0000 0.0000 34144.9376 -149187.0571 298.1962 -183331.9947 -149089.9492 299.4071 -5.7987 25.1982 558743.4999 10.9587 10.7839 PRESSURE: 3655800 98.2142 200.956 8.69352 200.955 -196.507 -11.4487 8.69427 -11.449 -153.187 GPRESSURE: 3655800 48.61 204.159 -5.41416 180.804 -105.375 25.3254 91.6094 10.5653 -101.607 PRESSAVG: 3655800 57.6096 -20.8572 2.19651 -20.8572 -36.1488 40.7233 2.19648 40.7232 13.592 GPRESSAVG: 3655800 57.8598 -21.9523 0.87127 -20.4171 -35.0516 41.9121 3.0496 38.9692 12.5294 TIMING: 3655800 CPU: 11000.2, 0.00300182/step Wall: 11000.2, 0.00300182/step, 1.12085 hours remaining, 209.949219 MB of memory in use. ENERGY: 3655800 731.1653 2041.9356 1947.2990 109.0711 -205785.3260 17715.8683 0.0000 0.0000 34304.4325 -148935.5542 299.5891 -183239.9867 -148840.1645 299.4433 -83.8266 -52.7908 558799.9245 11.6843 11.7792 PRESSURE: 3656000 -126.608 -85.3412 -59.1992 -85.3417 213.043 80.5163 -59.1985 80.5149 -109.796 GPRESSURE: 3656000 -56.9827 6.60043 -74.5969 -168.249 212.074 67.5233 -45.4379 41.6791 -90.2852 PRESSAVG: 3656000 -2.42706 -17.9142 2.97 -17.9143 8.39742 -30.1168 2.97011 -30.1168 -29.5709 GPRESSAVG: 3656000 -3.25666 -18.1473 5.29336 -17.7731 8.31888 -31.6324 -0.494729 -27.9192 -28.9476 TIMING: 3656000 CPU: 11000.8, 0.00298634/step Wall: 11000.8, 0.00298634/step, 1.1149 hours remaining, 209.949219 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: 3656000 740.9576 2082.8599 1955.4230 115.7713 -205940.8299 17729.3899 0.0000 0.0000 34264.3353 -149052.0928 299.2390 -183316.4282 -148944.9266 299.8091 -7.7871 21.6020 556321.1589 -7.8668 -7.9618 PRESSURE: 3656200 -55.5753 -9.62421 -37.4539 -9.62459 -27.1687 -60.8136 -37.4532 -60.8124 -254.167 GPRESSURE: 3656200 24.6777 -73.6401 -32.1869 27.4171 -79.4039 -87.8021 -88.985 -85.5674 -189.614 PRESSAVG: 3656200 56.9708 -31.8139 -0.579258 -31.8139 12.6001 10.7417 -0.579322 10.7418 18.3882 GPRESSAVG: 3656200 58.034 -29.902 -0.580464 -34.5814 11.294 11.1761 1.87048 8.60311 18.566 TIMING: 3656200 CPU: 11001.4, 0.00299983/step Wall: 11001.4, 0.00299983/step, 1.11977 hours remaining, 209.949219 MB of memory in use. ENERGY: 3656200 719.3710 2103.0627 1934.0122 115.4986 -205508.3798 17543.8671 0.0000 0.0000 34035.8695 -149056.6986 297.2437 -183092.5681 -148960.0107 299.6235 -112.3038 -81.4468 558495.3075 29.3197 29.2980 LDB: ============= START OF LOAD BALANCING ============== 11004.9 LDB: ============== END OF LOAD BALANCING =============== 11004.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11004.9 LDB: ============= START OF LOAD BALANCING ============== 11005.2 LDB: Largest compute 4802 load 0.028840 is 24.4% of average load 0.118272 LDB: Average compute 0.001717 is 1.5% of average load 0.118272 LDB: TIME 11005.2 LOAD: AVG 0.118272 MAX 0.211153 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.711 MB LDB: TIME 11005.2 LOAD: AVG 0.118272 MAX 0.211153 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.711 MB LDB: TIME 11005.2 LOAD: AVG 0.118272 MAX 0.211153 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.711 MB LDB: ============== END OF LOAD BALANCING =============== 11005.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11005.2 PRESSURE: 3656400 18.8518 49.5353 -36.5588 49.5362 -23.4749 40.5507 -36.5593 40.551 -139.696 GPRESSURE: 3656400 32.3142 120.431 -36.1886 9.05338 65.1309 78.2557 -103.423 -46.1449 -148.104 PRESSAVG: 3656400 21.725 -38.0166 22.6732 -38.0166 -14.6633 -37.6315 22.6732 -37.6314 16.4361 GPRESSAVG: 3656400 22.0482 -38.9659 19.1207 -36.1471 -14.8119 -37.5478 25.1493 -37.778 16.0136 TIMING: 3656400 CPU: 11002, 0.00304703/step Wall: 11002, 0.00304703/step, 1.13722 hours remaining, 210.281250 MB of memory in use. ENERGY: 3656400 745.3840 2081.3420 1921.9040 108.4049 -206000.3709 17812.2691 0.0000 0.0000 34222.8250 -149108.2420 298.8764 -183331.0669 -149011.0684 299.3511 -48.1062 -16.8862 559126.0660 7.8326 7.7500 PRESSURE: 3656600 175.376 18.7448 -90.1828 18.7451 -254.913 156.302 -90.1819 156.302 141.619 GPRESSURE: 3656600 177.515 142.082 -181.374 -78.8513 -199.491 58.3983 -69.3033 202.126 171.491 PRESSAVG: 3656600 43.1876 38.7064 -27.9321 38.7064 -4.72611 35.7234 -27.9321 35.7234 -45.2819 GPRESSAVG: 3656600 44.2157 38.659 -25.9373 37.814 -4.85472 35.6383 -30.6917 35.2672 -46.3465 TIMING: 3656600 CPU: 11002.6, 0.00301327/step Wall: 11002.6, 0.00301327/step, 1.12445 hours remaining, 210.742188 MB of memory in use. ENERGY: 3656600 732.9865 2135.3251 1947.9421 113.7475 -206415.7002 17883.6561 0.0000 0.0000 34422.1868 -149179.8562 300.6175 -183602.0430 -149083.0804 299.6646 20.6939 49.8380 558141.0947 -2.2735 -2.3285 PRESSURE: 3656800 241.024 137.144 68.6793 137.143 92.3245 23.3559 68.6805 23.3566 72.0782 GPRESSURE: 3656800 211.696 70.8395 106.668 76.4675 145.349 12.6852 40.0151 116.013 145.094 PRESSAVG: 3656800 -30.8804 16.0349 11.4297 16.0349 48.2257 34.3304 11.4298 34.3305 -13.8933 GPRESSAVG: 3656800 -31.2042 15.8567 12.5124 17.7042 48.8024 34.4591 13.5138 37.5468 -13.8151 TIMING: 3656800 CPU: 11003.2, 0.00298986/step Wall: 11003.2, 0.00298985/step, 1.11555 hours remaining, 210.742188 MB of memory in use. ENERGY: 3656800 710.5444 2155.7702 1932.6284 106.6027 -206350.6123 17941.9905 0.0000 0.0000 34290.0396 -149213.0364 299.4634 -183503.0761 -149112.5963 299.8030 135.1423 167.3794 557348.0595 1.1507 1.2610 PRESSURE: 3657000 19.8117 35.545 -18.4089 35.5438 -78.9793 35.6594 -18.409 35.6582 171.446 GPRESSURE: 3657000 91.3286 80.5894 -49.6088 -5.12817 -10.7363 -19.6433 -20.0483 14.8626 129.366 PRESSAVG: 3657000 -14.068 -0.824761 -67.5487 -0.824794 -2.274 5.18498 -67.5487 5.18493 0.220286 GPRESSAVG: 3657000 -13.4425 0.557474 -68.8655 -2.91721 -2.80389 6.66012 -68.366 1.6023 0.0324472 TIMING: 3657000 CPU: 11003.8, 0.00298203/step Wall: 11003.8, 0.00298203/step, 1.11246 hours remaining, 210.742188 MB of memory in use. ENERGY: 3657000 721.8162 2129.8319 1957.1556 119.3220 -206163.0354 17839.0325 0.0000 0.0000 34087.0576 -149308.8195 297.6908 -183395.8772 -149216.0561 300.0300 37.4263 69.9862 558647.3312 -5.3739 -5.4047 PRESSURE: 3657200 37.9997 -143.148 -145.297 -143.147 -277.445 40.9312 -145.296 40.933 141.349 GPRESSURE: 3657200 47.7418 -126.243 -115.075 -147.024 -229.191 -43.2354 -171.673 62.1553 174.37 PRESSAVG: 3657200 48.4808 19.0954 -48.6181 19.0953 -53.2559 28.724 -48.6181 28.724 35.2206 GPRESSAVG: 3657200 47.1226 20.417 -48.0811 19.4064 -51.7511 28.9921 -47.2954 29.5106 35.5413 TIMING: 3657200 CPU: 11004.4, 0.00301402/step Wall: 11004.4, 0.00301402/step, 1.12423 hours remaining, 210.742188 MB of memory in use. ENERGY: 3657200 770.8046 2058.1748 1939.0131 107.5528 -206472.2699 17912.1085 0.0000 0.0000 34357.2756 -149327.3406 300.0506 -183684.6163 -149226.8833 299.1469 -32.6986 -2.3600 557833.9714 10.1485 10.3043 PRESSURE: 3657400 176.227 -14.1762 -183.541 -14.175 113.932 -31.099 -183.541 -31.0985 -165.414 GPRESSURE: 3657400 271.922 40.3916 -176.015 -36.4796 93.7223 -41.5919 -258.008 -23.2447 -136.211 PRESSAVG: 3657400 8.1802 -15.3315 -49.0394 -15.3315 -26.1481 -6.14033 -49.0393 -6.14039 -20.825 GPRESSAVG: 3657400 8.23192 -18.2417 -49.4573 -15.0152 -26.8683 -9.53325 -50.1196 -5.18306 -19.8598 TIMING: 3657400 CPU: 11005, 0.00296701/step Wall: 11005, 0.00296701/step, 1.10653 hours remaining, 210.742188 MB of memory in use. ENERGY: 3657400 727.4536 2100.0994 1930.1843 121.0237 -206817.0912 18094.5569 0.0000 0.0000 34395.0132 -149448.7601 300.3802 -183843.7733 -149349.3888 299.5543 41.5818 76.4777 556514.8743 -12.9310 -12.8321 PRESSURE: 3657600 73.8858 -193.902 -142.387 -193.902 37.0421 -55.8706 -142.388 -55.8704 -77.3872 GPRESSURE: 3657600 123.198 -152.503 -95.7246 -222.895 59.5927 -42.8922 -146.012 -76.9641 -53.6633 PRESSAVG: 3657600 -9.68482 -11.3185 -14.5185 -11.3185 3.00981 3.99645 -14.5186 3.99648 -14.6534 GPRESSAVG: 3657600 -10.8325 -10.2696 -13.8702 -10.6939 3.72571 7.18236 -16.0687 1.91478 -14.1578 TIMING: 3657600 CPU: 11005.6, 0.00296151/step Wall: 11005.6, 0.00296151/step, 1.10431 hours remaining, 210.742188 MB of memory in use. ENERGY: 3657600 747.1895 2113.0450 1897.1095 120.3446 -206639.8184 18032.1684 0.0000 0.0000 34220.0565 -149509.9049 298.8523 -183729.9614 -149414.8360 299.4476 11.1802 43.0426 557392.7387 -7.1095 -7.0882 PRESSURE: 3657800 -182.161 -40.5076 35.7461 -40.5084 -19.966 121.393 35.746 121.391 -22.5086 GPRESSURE: 3657800 -60.1732 -37.5306 -14.3894 -10.5213 -19.3138 143.028 13.255 126.564 -54.0493 PRESSAVG: 3657800 -9.59178 -41.8767 -14.558 -41.8768 38.7379 17.3824 -14.558 17.3822 -58.574 GPRESSAVG: 3657800 -8.4413 -42.2875 -14.3841 -43.6126 38.4595 17.8956 -12.3621 18.7064 -59.9337 TIMING: 3657800 CPU: 11006.2, 0.00295712/step Wall: 11006.2, 0.00295712/step, 1.10251 hours remaining, 210.742188 MB of memory in use. ENERGY: 3657800 691.8305 2068.6775 1903.1569 108.0644 -206663.8304 17935.2727 0.0000 0.0000 34276.2580 -149680.5703 299.3431 -183956.8284 -149584.7615 298.2027 -74.8785 -44.5121 559319.8844 -9.8093 -9.9718 PRESSURE: 3658000 145.682 37.7067 51.7506 37.706 -109.024 69.5745 51.7509 69.5735 280.691 GPRESSURE: 3658000 153.214 7.08132 109.478 58.6275 -18.6666 130.781 -48.0685 45.2263 281.923 PRESSAVG: 3658000 -29.2472 33.4187 8.60746 33.4186 17.4651 5.6402 8.60733 5.64011 75.3862 GPRESSAVG: 3658000 -30.1894 34.7211 7.52079 35.3048 16.9873 7.29316 6.19364 4.97246 76.6191 TIMING: 3658000 CPU: 11006.8, 0.00296394/step Wall: 11006.8, 0.00296394/step, 1.10489 hours remaining, 210.742188 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: 3658000 759.0537 2040.5632 1899.8811 104.8713 -206076.1735 17841.2025 0.0000 0.0000 33909.2200 -149521.3816 296.1377 -183430.6017 -149423.4787 298.1535 105.7829 138.8232 556364.6033 21.2013 21.1390 PRESSURE: 3658200 -28.068 -128.574 183.41 -128.574 -19.399 191.717 183.41 191.718 -224.14 GPRESSURE: 3658200 -44.2898 -119.431 152.103 -118.202 68.3 235.465 221.033 149.728 -197.13 PRESSAVG: 3658200 10.9427 -27.5526 23.063 -27.5525 -26.4931 22.1429 23.063 22.1428 7.02255 GPRESSAVG: 3658200 11.0666 -29.0073 21.6472 -26.5838 -26.2196 19.9686 24.8398 22.0383 6.47491 TIMING: 3658200 CPU: 11007.4, 0.00299103/step Wall: 11007.4, 0.00299103/step, 1.11482 hours remaining, 210.742188 MB of memory in use. ENERGY: 3658200 749.5475 2093.4338 1922.4012 118.6736 -206263.0595 17830.6213 0.0000 0.0000 34113.5773 -149434.8048 297.9224 -183548.3821 -149338.0982 298.1952 -90.5356 -57.7065 558298.3022 -2.8426 -2.8927 PRESSURE: 3658400 48.561 -55.8601 48.7484 -55.8598 -186.259 -12.91 48.7484 -12.9097 -145.612 GPRESSURE: 3658400 98.4708 32.3653 45.5834 -111.816 -186.279 77.9025 44.6316 -2.70341 -101.996 PRESSAVG: 3658400 -25.3656 -6.47097 -11.671 -6.47088 48.5423 54.6101 -11.6711 54.61 -21.2852 GPRESSAVG: 3658400 -25.7938 -5.46069 -10.3795 -8.95054 48.7606 54.6988 -12.3346 54.8324 -21.1153 TIMING: 3658400 CPU: 11008, 0.00300124/step Wall: 11008, 0.00300124/step, 1.11846 hours remaining, 211.003906 MB of memory in use. ENERGY: 3658400 759.5127 2030.4930 1923.0820 119.3074 -206388.7596 17825.6062 0.0000 0.0000 34383.7693 -149346.9889 300.2820 -183730.7583 -149253.2906 298.3973 -94.4369 -63.2681 557026.9946 0.6305 0.6172 PRESSURE: 3658600 90.7951 -2.98457 120.256 -2.98268 144.817 -169.384 120.255 -169.385 -194.32 GPRESSURE: 3658600 158.887 6.85515 77.5727 -8.06874 117.995 -158.109 151.662 -195.697 -135.046 PRESSAVG: 3658600 56.8119 5.08629 -2.59154 5.08628 -8.65442 -67.0319 -2.59148 -67.0319 -51.7177 GPRESSAVG: 3658600 58.2928 4.71432 -1.89034 4.67143 -9.20107 -69.2399 -2.30462 -66.0308 -52.5378 TIMING: 3658600 CPU: 11008.6, 0.00300416/step Wall: 11008.6, 0.00300416/step, 1.11938 hours remaining, 211.003906 MB of memory in use. ENERGY: 3658600 745.7985 2086.7418 1938.7419 115.1437 -206548.8650 17929.2042 0.0000 0.0000 34283.1585 -149450.0764 299.4034 -183733.2349 -149356.0085 298.6455 13.7639 47.2788 557040.8953 -1.1868 -1.1487 PRESSURE: 3658800 -56.8699 99.6083 49.9337 99.6082 61.5584 -18.3082 49.9332 -18.3087 -142.557 GPRESSURE: 3658800 14.7722 85.6329 47.166 30.8153 40.5773 -49.8988 65.5238 81.9792 -101.05 PRESSAVG: 3658800 20.7271 33.7885 19.4897 33.7885 31.2349 0.563682 19.4898 0.563649 -49.9127 GPRESSAVG: 3658800 18.4788 33.3164 19.4964 35.122 31.4831 1.99742 17.9308 1.08298 -48.121 TIMING: 3658800 CPU: 11009.2, 0.00299106/step Wall: 11009.2, 0.00299106/step, 1.11434 hours remaining, 211.003906 MB of memory in use. ENERGY: 3658800 757.1897 2089.9370 1928.9930 97.5303 -206130.0700 17701.3658 0.0000 0.0000 34049.1520 -149505.9021 297.3597 -183555.0541 -149414.6855 297.5611 -45.9561 -15.2334 557233.5914 0.6831 0.6136 PRESSURE: 3659000 45.8456 28.773 -90.237 28.7722 -132.477 77.1112 -90.2373 77.1103 -375.46 GPRESSURE: 3659000 90.8623 -52.7887 -105.732 87.6028 -143.068 74.654 -76.9203 173.294 -319.763 PRESSAVG: 3659000 19.6071 15.4458 58.9631 15.4458 11.7576 18.6766 58.9631 18.6766 -23.6964 GPRESSAVG: 3659000 20.5296 15.128 56.3703 17.3087 11.3138 18.4604 60.3735 19.2897 -24.3852 TIMING: 3659000 CPU: 11009.8, 0.00299241/step Wall: 11009.8, 0.00299241/step, 1.11467 hours remaining, 211.003906 MB of memory in use. ENERGY: 3659000 759.5424 2062.5425 1946.8821 114.8460 -206145.9834 17759.6488 0.0000 0.0000 33972.2774 -149530.2442 296.6883 -183502.5216 -149436.7360 297.5355 -154.0302 -123.9896 558645.4246 2.5561 2.4861 PRESSURE: 3659200 150.24 -54.3488 -11.5094 -54.3487 -1.50704 -39.1115 -11.5086 -39.1121 -20.4498 GPRESSURE: 3659200 133.391 -59.3148 -118.69 -87.1316 41.6801 18.0904 84.8719 -46.8821 52.7316 PRESSAVG: 3659200 -5.72412 41.6199 -8.84645 41.6199 -28.8937 -0.145225 -8.8465 -0.145186 33.7113 GPRESSAVG: 3659200 -6.73874 39.5577 -5.81978 41.199 -27.5404 0.921097 -10.4356 -1.46799 33.7442 TIMING: 3659200 CPU: 11010.4, 0.00296573/step Wall: 11010.4, 0.00296573/step, 1.10457 hours remaining, 211.003906 MB of memory in use. ENERGY: 3659200 703.4736 2109.2154 1937.0327 103.9218 -206227.9987 17796.7132 0.0000 0.0000 34243.9515 -149333.6906 299.0609 -183577.6422 -149239.0560 298.4074 42.7612 75.9342 558133.8450 -0.3022 -0.1783 PRESSURE: 3659400 -168.694 -117.557 145.304 -117.557 84.2766 -6.06026 145.304 -6.05992 35.0684 GPRESSURE: 3659400 -44.1095 -61.5037 175.101 -103.547 107.061 -23.1916 139.634 -44.8417 -7.17632 PRESSAVG: 3659400 -25.6572 -11.1858 34.7283 -11.1858 -2.95716 -35.0294 34.7283 -35.0293 8.29662 GPRESSAVG: 3659400 -24.6056 -10.6127 34.0657 -11.8872 -4.00319 -35.6495 35.1584 -34.6841 8.02521 TIMING: 3659400 CPU: 11011, 0.00303377/step Wall: 11011, 0.00303377/step, 1.12974 hours remaining, 211.003906 MB of memory in use. ENERGY: 3659400 769.6768 2054.2554 1922.0515 125.4863 -206135.1383 17711.7932 0.0000 0.0000 34294.0324 -149257.8429 299.4983 -183551.8753 -149162.2737 299.3553 -16.4495 18.5918 555980.0675 -6.7726 -6.8612 PRESSURE: 3659600 245.06 82.9239 103.443 82.9251 -56.2052 78.99 103.443 78.9909 -55.4387 GPRESSURE: 3659600 260.3 75.132 106.526 11.8207 -9.38787 62.6307 53.059 49.0996 -15.6302 PRESSAVG: 3659600 2.97681 -38.5165 17.9041 -38.5166 7.686 -1.00693 17.904 -1.00682 46.5244 GPRESSAVG: 3659600 2.85204 -38.3428 17.7023 -38.6449 8.13571 0.29297 16.7093 -2.31672 45.5937 TIMING: 3659600 CPU: 11011.6, 0.00303044/step Wall: 11011.6, 0.00303044/step, 1.12833 hours remaining, 211.003906 MB of memory in use. ENERGY: 3659600 731.4895 2084.1538 1917.0306 117.2784 -206237.0621 17864.2713 0.0000 0.0000 34251.6523 -149271.1863 299.1282 -183522.8386 -149172.2543 299.2286 44.4721 78.4274 557516.1354 19.0624 18.8605 PRESSURE: 3659800 -118.214 145.678 -93.7737 145.678 -143.841 -16.7683 -93.7729 -16.7684 73.8919 GPRESSURE: 3659800 -101.35 99.0457 -50.8127 217.072 -60.794 -50.0227 -174.582 -28.8259 74.7701 PRESSAVG: 3659800 49.6061 17.1988 31.3843 17.1987 -6.17022 -12.4174 31.3843 -12.4174 -89.2256 GPRESSAVG: 3659800 49.8827 16.8108 30.8507 17.4416 -5.67381 -14.3348 34.1374 -10.6198 -89.7726 TIMING: 3659800 CPU: 11012.2, 0.00301226/step Wall: 11012.2, 0.00301226/step, 1.1214 hours remaining, 211.003906 MB of memory in use. ENERGY: 3659800 779.3365 2093.0318 1922.2106 113.5528 -206079.4206 17700.3077 0.0000 0.0000 34273.6303 -149197.3510 299.3201 -183470.9812 -149105.8686 299.5242 -62.7210 -29.1248 556905.2754 -15.2633 -15.1879 PRESSURE: 3660000 92.2223 30.4969 56.2978 30.4975 -116.388 54.6484 56.2976 54.6503 281.275 GPRESSURE: 3660000 137.21 82.5366 132.105 19.5479 -87.3676 133.027 8.57154 26.008 305.454 PRESSAVG: 3660000 22.6732 11.8792 41.4822 11.8792 -13.47 -12.654 41.4822 -12.6539 -13.8319 GPRESSAVG: 3660000 22.153 13.9038 40.0263 10.8495 -15.1976 -11.3946 42.1098 -14.8255 -12.0258 TIMING: 3660000 CPU: 11012.8, 0.00302722/step Wall: 11012.8, 0.00302722/step, 1.1268 hours remaining, 211.003906 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: 3660000 739.6064 2155.0967 1924.0112 117.5546 -206200.1018 17832.3789 0.0000 0.0000 34273.1721 -149158.2820 299.3161 -183431.4541 -149057.4632 299.4600 85.7033 118.4322 556639.1135 -1.5429 -1.6901 PRESSURE: 3660200 -45.2193 -1.9804 -202.798 -1.98143 150.282 225.851 -202.8 225.852 138.849 GPRESSURE: 3660200 14.0742 -47.8912 -128.465 13.0674 182.22 195.111 -161.433 215.547 149.67 PRESSAVG: 3660200 12.5932 -12.1998 -13.8843 -12.1998 1.40424 64.4726 -13.8843 64.4726 5.25619 GPRESSAVG: 3660200 12.8282 -11.8738 -14.7816 -13.4844 1.97532 65.3545 -13.4369 65.0739 4.33855 TIMING: 3660200 CPU: 11013.4, 0.00300599/step Wall: 11013.4, 0.00300599/step, 1.11873 hours remaining, 211.003906 MB of memory in use. ENERGY: 3660200 750.4294 2054.0577 1929.4967 113.1299 -206358.5127 17948.8217 0.0000 0.0000 34427.4718 -149135.1056 300.6637 -183562.5773 -149039.1242 299.6254 81.3039 115.3214 555945.8092 6.4179 6.3807 LDB: ============= START OF LOAD BALANCING ============== 11016.9 LDB: ============== END OF LOAD BALANCING =============== 11016.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11016.9 LDB: ============= START OF LOAD BALANCING ============== 11017.2 LDB: Largest compute 4802 load 0.030213 is 25.5% of average load 0.118261 LDB: Average compute 0.001722 is 1.5% of average load 0.118261 LDB: TIME 11017.2 LOAD: AVG 0.118261 MAX 0.211036 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.711 MB LDB: TIME 11017.2 LOAD: AVG 0.118261 MAX 0.211036 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.711 MB LDB: TIME 11017.2 LOAD: AVG 0.118261 MAX 0.211036 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.711 MB LDB: ============== END OF LOAD BALANCING =============== 11017.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11017.2 PRESSURE: 3660400 -123.443 83.8868 -101.29 83.8859 137.192 -94.5999 -101.289 -94.5995 -90.3955 GPRESSURE: 3660400 -126.634 107.622 -74.0135 100.637 165.439 -88.5118 -233.904 -103.722 0.516287 PRESSAVG: 3660400 22.9399 10.7325 -25.0319 10.7326 35.3354 6.31271 -25.0318 6.31279 -90.3053 GPRESSAVG: 3660400 22.956 7.61288 -24.0466 13.6615 34.3779 5.53999 -27.9686 6.87741 -89.0907 TIMING: 3660400 CPU: 11014, 0.00305131/step Wall: 11014, 0.00305131/step, 1.13543 hours remaining, 209.000000 MB of memory in use. ENERGY: 3660400 761.3415 2107.1061 1916.9184 122.8487 -206201.9163 17658.8381 0.0000 0.0000 34440.1670 -149194.6966 300.7745 -183634.8636 -149094.5141 299.7000 -25.5486 13.1073 557892.1952 -10.6767 -10.5856 PRESSURE: 3660600 -41.4736 231.218 -171.604 231.218 -194.128 -22.6597 -171.604 -22.6601 17.6508 GPRESSURE: 3660600 -11.6884 155.231 -169.739 249.63 -161.433 -84.2585 -72.1099 11.3322 49.9889 PRESSAVG: 3660600 -19.7457 -14.6086 -7.09462 -14.6086 -9.11422 -6.91635 -7.09461 -6.91636 -43.7109 GPRESSAVG: 3660600 -19.912 -12.645 -5.9966 -16.289 -7.25302 -7.31076 -5.78949 -6.74004 -45.7457 TIMING: 3660600 CPU: 11014.6, 0.00299149/step Wall: 11014.6, 0.00299149/step, 1.113 hours remaining, 209.203125 MB of memory in use. ENERGY: 3660600 748.2809 2102.1017 1937.9056 116.4682 -206303.0511 17975.2875 0.0000 0.0000 34300.2440 -149122.7632 299.5526 -183423.0073 -149038.2722 299.7165 -72.6503 -41.0442 558420.1484 -24.1903 -24.3036 PRESSURE: 3660800 99.8285 -116.815 135.766 -116.816 214.659 -58.2616 135.766 -58.263 135.811 GPRESSURE: 3660800 105.953 -178.689 110.457 60.1668 302.59 -114.531 141.972 -8.44537 133.616 PRESSAVG: 3660800 -4.79021 -15.1733 -41.44 -15.1733 47.2102 -29.2134 -41.4399 -29.2134 -31.9492 GPRESSAVG: 3660800 -5.42748 -14.2681 -41.4287 -15.3381 47.5179 -28.297 -42.628 -30.0297 -31.8758 TIMING: 3660800 CPU: 11015.2, 0.00299314/step Wall: 11015.2, 0.00299314/step, 1.11345 hours remaining, 209.203125 MB of memory in use. ENERGY: 3660800 744.5374 2081.4624 1915.0873 127.6813 -206311.9361 18154.6944 0.0000 0.0000 34224.9992 -149063.4742 298.8954 -183288.4734 -148968.4740 299.9525 150.0997 180.7198 557595.3214 3.4903 3.4049 PRESSURE: 3661000 -349.496 31.4883 95.525 31.4892 108.045 104.758 95.5254 104.759 -6.94146 GPRESSURE: 3661000 -359.537 95.4186 91.9351 40.416 140.248 174.426 24.9917 22.8885 63.0535 PRESSAVG: 3661000 -45.6641 49.3276 0.0637891 49.3277 55.3407 -70.9549 0.0636792 -70.9549 10.1749 GPRESSAVG: 3661000 -45.5458 46.6379 1.86936 51.3351 55.0212 -73.207 -0.473628 -71.1798 10.0426 TIMING: 3661000 CPU: 11015.8, 0.00300448/step Wall: 11015.8, 0.00300448/step, 1.1175 hours remaining, 209.203125 MB of memory in use. ENERGY: 3661000 759.1608 2089.8687 1947.7106 113.3541 -206143.4311 17724.0263 0.0000 0.0000 34387.4851 -149121.8256 300.3145 -183509.3107 -149028.1763 300.2668 -82.7974 -52.0787 557641.0324 6.6172 6.5060 PRESSURE: 3661200 -44.3697 -69.1497 -69.4003 -69.1512 -29.6305 202.845 -69.3985 202.845 81.624 GPRESSURE: 3661200 2.53726 -114.279 -40.459 7.75705 -7.21323 199.247 -61.8654 172.073 109.94 PRESSAVG: 3661200 -19.6439 39.9073 18.7921 39.9072 -7.26481 -30.5554 18.7922 -30.5554 32.6763 GPRESSAVG: 3661200 -18.5518 39.5472 16.9853 40.4868 -8.70282 -28.454 19.2945 -31.0098 32.9546 TIMING: 3661200 CPU: 11016.4, 0.00298702/step Wall: 11016.4, 0.00298702/step, 1.11084 hours remaining, 209.203125 MB of memory in use. ENERGY: 3661200 755.4454 2139.2756 1908.3337 110.1278 -206172.3197 17841.2897 0.0000 0.0000 34234.5748 -149183.2726 298.9791 -183417.8474 -149087.8403 299.4529 2.5413 35.0880 557137.0910 1.9225 1.9000 PRESSURE: 3661400 -161.676 -104.359 30.8199 -104.359 -135.702 -74.4444 30.8196 -74.4423 -350.994 GPRESSURE: 3661400 -80.4946 -73.0325 66.351 -138.299 -90.609 -108.759 18.1486 -59.4652 -368.015 PRESSAVG: 3661400 -56.6671 -13.2052 35.6112 -13.2051 -4.39515 6.24805 35.6111 6.24804 17.7371 GPRESSAVG: 3661400 -57.3407 -9.85431 35.332 -15.7588 -2.69384 4.22917 36.0065 9.30869 16.6401 TIMING: 3661400 CPU: 11017, 0.0029955/step Wall: 11017, 0.0029955/step, 1.11383 hours remaining, 209.203125 MB of memory in use. ENERGY: 3661400 745.2918 2079.8942 1955.7972 112.8378 -205757.0481 17483.4667 0.0000 0.0000 34220.1519 -149159.6085 298.8531 -183379.7605 -149070.0903 299.2967 -216.1242 -179.7064 556879.7784 -14.4417 -14.4648 PRESSURE: 3661600 -56.2585 -23.1689 32.661 -23.169 -16.5627 -30.8528 32.6619 -30.852 -140.874 GPRESSURE: 3661600 -20.489 -54.6287 -46.7066 40.2616 87.6353 -21.1331 -6.68002 1.97825 -180.499 PRESSAVG: 3661600 16.094 8.40082 -28.3514 8.40085 128.489 -41.8521 -28.3514 -41.8521 -78.0069 GPRESSAVG: 3661600 16.3658 9.1134 -28.618 8.10197 127.154 -39.0349 -29.3669 -44.1769 -76.9309 TIMING: 3661600 CPU: 11017.6, 0.00299801/step Wall: 11017.6, 0.00299801/step, 1.11459 hours remaining, 209.203125 MB of memory in use. ENERGY: 3661600 764.7246 2110.8533 1939.9087 113.7894 -206114.3616 17773.3684 0.0000 0.0000 34334.4683 -149077.2489 299.8515 -183411.7172 -148976.4988 300.3527 -71.2316 -37.7842 557752.9776 22.1922 22.1964 PRESSURE: 3661800 -141.446 -166.356 149.436 -166.357 60.139 20.0495 149.435 20.0512 -102.235 GPRESSURE: 3661800 -57.5597 -186.065 157.469 -132.024 84.0226 -5.86949 115.241 82.3455 -110.028 PRESSAVG: 3661800 -2.45828 -13.6526 -11.8897 -13.6526 24.476 34.0149 -11.8897 34.0149 -29.2684 GPRESSAVG: 3661800 -2.02444 -15.4483 -11.2609 -13.2057 25.324 31.2205 -11.0122 35.9706 -30.712 TIMING: 3661800 CPU: 11018.2, 0.00298183/step Wall: 11018.2, 0.00298183/step, 1.10841 hours remaining, 209.292969 MB of memory in use. ENERGY: 3661800 754.1370 2108.2902 1946.0458 114.7062 -205950.7350 17682.9151 0.0000 0.0000 34070.2799 -149274.3608 297.5442 -183344.6407 -149182.2116 299.1170 -61.1807 -27.8551 559014.1016 -2.4169 -2.4708 PRESSURE: 3662000 -198.51 -111.6 102.954 -111.601 -351.36 -180.762 102.954 -180.762 -178.316 GPRESSURE: 3662000 -165.534 -116.812 81.3083 -110.821 -317.731 -191.854 114.858 -114.563 -153.404 PRESSAVG: 3662000 27.5901 26.2145 -24.1592 26.2144 -55.1308 -15.3502 -24.1592 -15.3503 9.53412 GPRESSAVG: 3662000 28.2 26.522 -22.9621 28.327 -55.1551 -13.2192 -23.6738 -17.2248 9.11729 TIMING: 3662000 CPU: 11018.8, 0.00297961/step Wall: 11018.8, 0.00297961/step, 1.10742 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: 3662000 712.8259 2149.1823 1923.6758 118.8928 -205811.6119 17488.9485 0.0000 0.0000 34073.9999 -149344.0867 297.5767 -183418.0865 -149245.5421 298.8557 -242.7289 -212.2231 559388.5052 -6.0022 -5.9460 PRESSURE: 3662200 207.498 156.984 194.382 156.985 -106.7 43.0111 194.381 43.012 -215.013 GPRESSURE: 3662200 222.374 152.278 216.459 136.988 -100.571 53.4822 140.484 11.0139 -126.782 PRESSAVG: 3662200 -11.0613 -16.6824 69.928 -16.6824 -53.1556 24.7968 69.928 24.7968 13.1005 GPRESSAVG: 3662200 -13.1925 -17.3096 65.9327 -19.16 -52.3762 24.0792 71.9946 25.9576 14.7082 TIMING: 3662200 CPU: 11019.4, 0.00295717/step Wall: 11019.4, 0.00295717/step, 1.09892 hours remaining, 209.292969 MB of memory in use. ENERGY: 3662200 729.5069 2126.4664 1954.5878 119.8739 -206557.2486 17876.1925 0.0000 0.0000 34385.1915 -149365.4295 300.2944 -183750.6210 -149265.5248 299.2744 -38.0720 -1.6598 556136.2776 -17.0388 -16.9535 PRESSURE: 3662400 7.39514 34.6787 52.6005 34.6799 -67.0041 -54.9313 52.6 -54.9309 -3.38271 GPRESSURE: 3662400 10.9235 86.9774 76.1248 144.84 29.1579 -53.3692 -29.8351 -40.4761 -17.4618 PRESSAVG: 3662400 57.1172 51.9324 73.6812 51.9325 -3.03783 10.6545 73.6812 10.6544 -35.2709 GPRESSAVG: 3662400 59.1257 52.5862 75.523 52.3954 -3.42331 10.1518 71.4545 10.1038 -37.3625 TIMING: 3662400 CPU: 11020, 0.0029726/step Wall: 11020, 0.0029726/step, 1.10449 hours remaining, 209.292969 MB of memory in use. ENERGY: 3662400 715.7014 2094.5817 1957.1672 108.7502 -206244.4209 17777.3835 0.0000 0.0000 34233.5151 -149357.3218 298.9698 -183590.8369 -149268.9427 299.2960 -20.9972 7.5399 557042.9313 6.2695 6.1133 PRESSURE: 3662600 136.192 124.281 -155.346 124.28 -213.877 134.224 -155.345 134.224 -114.906 GPRESSURE: 3662600 132.187 193.725 -63.6339 68.145 -128.476 109.541 -142.578 107.984 -88.339 PRESSAVG: 3662600 23.8246 47.5267 -30.6795 47.5266 -18.4373 57.6932 -30.6796 57.6932 -5.10667 GPRESSAVG: 3662600 23.3688 48.0699 -31.1578 48.1803 -19.4681 57.1788 -29.2864 57.7727 -3.82889 TIMING: 3662600 CPU: 11020.6, 0.0029871/step Wall: 11020.6, 0.0029871/step, 1.10971 hours remaining, 209.292969 MB of memory in use. ENERGY: 3662600 749.9600 2031.7226 1933.7875 112.3352 -206118.0210 17634.9010 0.0000 0.0000 34310.3795 -149344.9353 299.6411 -183655.3148 -149241.9486 298.7946 -64.1969 -28.2095 555797.4929 0.0935 0.0239 PRESSURE: 3662800 -57.3862 -14.7429 -103.621 -14.743 -278.701 35.886 -103.62 35.8878 -92.2532 GPRESSURE: 3662800 -16.3221 -16.8025 -145 76.3258 -264.213 1.73205 -82.5346 -73.4127 -54.9605 PRESSAVG: 3662800 -18.0246 14.3197 -51.0028 14.3197 -5.34118 13.1197 -51.003 13.1197 18.554 GPRESSAVG: 3662800 -18.83 13.485 -50.1946 14.6102 -3.98599 14.1272 -52.4598 11.5626 17.9599 TIMING: 3662800 CPU: 11021.2, 0.00298616/step Wall: 11021.2, 0.00298616/step, 1.10919 hours remaining, 209.292969 MB of memory in use. ENERGY: 3662800 748.0828 2063.5728 1930.2935 109.8324 -205939.9307 17647.9077 0.0000 0.0000 34142.6583 -149297.5831 298.1763 -183440.2414 -149197.4585 298.7807 -142.7802 -111.8319 557680.1982 -1.6039 -1.6187 PRESSURE: 3663000 160.44 -138.337 52.1566 -138.336 95.2286 -38.7575 52.1587 -38.7559 236.133 GPRESSURE: 3663000 188.271 -96.9894 25.6585 -90.9401 121.832 -11.5683 101.414 -8.36263 270.951 PRESSAVG: 3663000 6.09101 41.6422 -32.6697 41.6422 33.4277 24.3991 -32.6697 24.399 -48.4793 GPRESSAVG: 3663000 6.19339 40.6396 -32.2665 41.3733 32.7745 24.9965 -32.5768 24.984 -48.081 TIMING: 3663000 CPU: 11021.8, 0.00295904/step Wall: 11021.8, 0.00295904/step, 1.09895 hours remaining, 209.292969 MB of memory in use. ENERGY: 3663000 696.0664 2110.0305 1940.5484 109.7071 -206323.3302 17954.4612 0.0000 0.0000 34101.9823 -149410.5343 297.8211 -183512.5166 -149312.4673 298.8641 163.9338 193.6847 557449.6975 -2.9869 -3.0377 PRESSURE: 3663200 152.159 -44.5587 95.1161 -44.5589 -342.523 -167.964 95.1158 -167.965 286.64 GPRESSURE: 3663200 171.306 -12.3684 80.3676 -129.79 -216.104 -235.481 52.0084 -101.404 246.901 PRESSAVG: 3663200 60.4692 -30.1248 21.5776 -30.1249 -71.6264 -12.331 21.5776 -12.3309 -8.71612 GPRESSAVG: 3663200 61.939 -29.4768 21.5765 -31.1679 -72.1264 -13.9395 20.7053 -9.26692 -9.72234 TIMING: 3663200 CPU: 11022.4, 0.00294501/step Wall: 11022.4, 0.00294501/step, 1.09358 hours remaining, 209.292969 MB of memory in use. ENERGY: 3663200 719.6340 2099.4420 1940.7551 104.6450 -206472.6797 17932.5353 0.0000 0.0000 34155.6890 -149519.9794 298.2901 -183675.6683 -149422.5362 298.2630 32.0921 67.3676 556662.6636 -6.6244 -6.6366 PRESSURE: 3663400 -184.5 -125.778 123.827 -125.779 -169.965 10.2817 123.827 10.2825 -189.648 GPRESSURE: 3663400 -166.917 -257.906 90.0395 -114.694 -122.707 19.3556 197.281 11.6583 -148.046 PRESSAVG: 3663400 5.34095 -4.63523 -62.5937 -4.6352 -3.13045 -30.3041 -62.5938 -30.304 12.6274 GPRESSAVG: 3663400 4.06871 -4.15365 -62.922 -4.03568 -3.45683 -30.846 -62.3754 -31.2041 14.0991 TIMING: 3663400 CPU: 11022.9, 0.00294155/step Wall: 11022.9, 0.00294155/step, 1.09213 hours remaining, 209.292969 MB of memory in use. ENERGY: 3663400 733.5655 2084.9021 1935.7053 119.5302 -206359.3406 17731.3190 0.0000 0.0000 34264.8757 -149489.4427 299.2437 -183754.3184 -149389.8095 298.3873 -181.3711 -145.8901 559007.2313 4.9460 4.9037 PRESSURE: 3663600 55.3782 -90.7059 60.4394 -90.7059 -32.0533 24.7339 60.4402 24.7348 -192.442 GPRESSURE: 3663600 75.6415 -184.574 52.4262 -74.8904 41.5462 120.015 89.3799 -120.312 -190.246 PRESSAVG: 3663600 -27.7029 -19.2553 52.1782 -19.2553 18.1734 -25.3411 52.1782 -25.3412 13.7839 GPRESSAVG: 3663600 -26.541 -19.1863 53.6909 -20.4186 17.8492 -25.3522 51.8828 -25.7822 13.3903 TIMING: 3663600 CPU: 11023.5, 0.00295294/step Wall: 11023.5, 0.00295294/step, 1.0962 hours remaining, 209.292969 MB of memory in use. ENERGY: 3663600 730.4756 2129.8401 1928.6516 106.4565 -206261.7778 17716.6757 0.0000 0.0000 34188.0304 -149461.6478 298.5726 -183649.6782 -149364.4217 298.9951 -56.3725 -24.3529 557591.2129 1.4181 1.5662 PRESSURE: 3663800 -66.6794 58.3931 99.9133 58.3944 75.577 -21.2025 99.9138 -21.203 -80.1163 GPRESSURE: 3663800 12.4879 94.0418 54.3767 59.7255 72.0473 -55.3556 63.2778 -82.2964 -57.9148 PRESSAVG: 3663800 -24.5784 -16.2194 -16.5248 -16.2194 33.3944 -8.09885 -16.5248 -8.09887 -4.24496 GPRESSAVG: 3663800 -24.0761 -15.4298 -18.6186 -15.3849 33.2983 -6.34191 -16.648 -8.28893 -4.65538 TIMING: 3663800 CPU: 11024.1, 0.00297463/step Wall: 11024.1, 0.00297463/step, 1.10408 hours remaining, 209.292969 MB of memory in use. ENERGY: 3663800 727.5323 2160.5326 1949.4504 97.7803 -206425.1909 17790.7196 0.0000 0.0000 34134.5674 -149564.6083 298.1057 -183699.1757 -149471.3439 298.2281 -23.7396 8.8735 556122.0241 1.5237 1.5223 PRESSURE: 3664000 -151.228 -41.0715 -128.304 -41.072 -65.3055 -80.9255 -128.304 -80.9273 103.483 GPRESSURE: 3664000 -112.285 -36.828 -104.606 -71.2389 -76.3495 -99.7818 -173.225 -12.178 155.168 PRESSAVG: 3664000 7.18148 20.3462 -0.339026 20.3463 7.25413 2.12876 -0.339011 2.12882 -39.5507 GPRESSAVG: 3664000 5.85682 19.3032 0.577022 21.7335 7.74852 1.4833 -1.0712 2.68649 -39.0561 TIMING: 3664000 CPU: 11024.7, 0.00298413/step Wall: 11024.7, 0.00298414/step, 1.10745 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: 3664000 728.9782 2081.3461 1916.5250 118.0164 -206378.4797 17769.7828 0.0000 0.0000 34145.4386 -149618.3926 298.2006 -183763.8311 -149514.1022 297.7653 -37.6834 -11.1556 557536.4851 -8.3717 -8.4836 PRESSURE: 3664200 -9.51656 -157.864 -97.1074 -157.863 -217.102 -161.808 -97.1068 -161.809 -79.2049 GPRESSURE: 3664200 55.8029 -102.248 -33.1475 -160.543 -184.681 -99.8255 -87.1446 -196.179 -79.8399 PRESSAVG: 3664200 54.87 11.2421 -22.6797 11.2422 1.32057 -54.6733 -22.6797 -54.6734 -56.9117 GPRESSAVG: 3664200 55.0633 12.5753 -20.5456 11.6358 0.97958 -53.3821 -22.4331 -55.1877 -56.3114 TIMING: 3664200 CPU: 11025.3, 0.00296739/step Wall: 11025.3, 0.00296739/step, 1.10107 hours remaining, 209.292969 MB of memory in use. ENERGY: 3664200 711.6097 2102.8323 1954.2310 122.9687 -206103.7038 17601.0483 0.0000 0.0000 34023.4853 -149587.5285 297.1356 -183611.0137 -149487.9805 298.1922 -101.9413 -69.5726 556799.8662 -0.2404 -0.0895 LDB: ============= START OF LOAD BALANCING ============== 11028.8 LDB: ============== END OF LOAD BALANCING =============== 11028.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11028.8 LDB: ============= START OF LOAD BALANCING ============== 11029.1 LDB: Largest compute 4802 load 0.030360 is 25.7% of average load 0.118324 LDB: Average compute 0.001716 is 1.5% of average load 0.118324 LDB: TIME 11029.1 LOAD: AVG 0.118324 MAX 0.213053 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.574 MB LDB: TIME 11029.1 LOAD: AVG 0.118324 MAX 0.213053 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.777 MB LDB: TIME 11029.1 LOAD: AVG 0.118324 MAX 0.213053 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.777 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11029.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11029.2 PRESSURE: 3664400 -212.981 141.875 98.1314 141.873 188.406 66.0887 98.1312 66.0887 -52.7981 GPRESSURE: 3664400 -158.154 63.3008 70.0083 174.783 214.68 114.422 120.446 83.4309 -41.0934 PRESSAVG: 3664400 -46.8973 -44.635 -19.7784 -44.6351 40.5 20.3305 -19.7784 20.3305 32.4612 GPRESSAVG: 3664400 -47.1408 -46.4825 -21.0154 -45.5832 40.9114 19.9176 -19.4522 22.0495 31.5947 TIMING: 3664400 CPU: 11025.9, 0.00306765/step Wall: 11025.9, 0.00306765/step, 1.1381 hours remaining, 209.199219 MB of memory in use. ENERGY: 3664400 745.2348 2100.8562 1943.2110 116.4785 -206368.6972 17877.7679 0.0000 0.0000 33953.0950 -149632.0539 296.5208 -183585.1488 -149537.5334 298.4877 -25.7912 5.1443 557667.9351 8.6880 8.4551 PRESSURE: 3664600 -56.6971 -14.6193 -80.2143 -14.6204 -208.598 -7.9943 -80.2153 -7.99206 -32.8997 GPRESSURE: 3664600 -0.630595 -64.554 -74.3902 -15.9333 -168.873 14.4954 -59.2447 -17.5149 -33.7445 PRESSAVG: 3664600 -8.54322 23.8428 -1.53891 23.8427 -10.664 0.310653 -1.53887 0.310769 -11.9902 GPRESSAVG: 3664600 -7.51116 24.8959 -1.70843 24.277 -12.1933 -0.696858 -0.232112 -1.67328 -12.0389 TIMING: 3664600 CPU: 11026.5, 0.00297266/step Wall: 11026.5, 0.00297266/step, 1.10269 hours remaining, 209.472656 MB of memory in use. ENERGY: 3664600 760.4471 2117.2007 1913.9345 107.0176 -206392.8909 17760.3252 0.0000 0.0000 34036.4945 -149697.4713 297.2492 -183733.9659 -149597.4193 297.7816 -99.3984 -67.7493 558394.8199 -10.3991 -10.5811 PRESSURE: 3664800 69.784 -96.3205 -70.9685 -96.3213 -212.693 198.244 -70.9694 198.244 101.562 GPRESSURE: 3664800 174.862 -152.575 7.67766 -25.8576 -191.5 246.977 -98.9557 113.787 66.8405 PRESSAVG: 3664800 -44.205 -26.706 -40.5394 -26.7061 -26.7254 21.7582 -40.5394 21.7584 52.1793 GPRESSAVG: 3664800 -44.8668 -25.5966 -39.7806 -25.1861 -25.4512 20.8095 -43.4886 22.1343 51.7847 TIMING: 3664800 CPU: 11027.1, 0.00298459/step Wall: 11027.1, 0.00298459/step, 1.10695 hours remaining, 209.472656 MB of memory in use. ENERGY: 3664800 727.4093 2100.9734 1917.5763 106.1389 -206666.0014 17867.3604 0.0000 0.0000 34177.7664 -149768.7766 298.4829 -183946.5430 -149673.7635 297.8472 -13.7824 16.7339 558268.0413 -6.2504 -6.1778 PRESSURE: 3665000 -224.93 -111.004 -57.0186 -111.004 99.4636 -85.1356 -57.0191 -85.1348 -9.49735 GPRESSURE: 3665000 -174.012 -150.492 -181.347 -195.522 74.0518 -113.88 -40.663 20.4018 67.9471 PRESSAVG: 3665000 69.5346 -56.7397 -19.5999 -56.7397 -19.8123 -1.91162 -19.5999 -1.91155 -51.4669 GPRESSAVG: 3665000 70.1621 -58.6451 -22.1518 -56.2654 -20.5568 -2.40622 -17.0941 -1.0054 -51.2535 TIMING: 3665000 CPU: 11027.7, 0.00297591/step Wall: 11027.7, 0.00297591/step, 1.10357 hours remaining, 209.472656 MB of memory in use. ENERGY: 3665000 736.9697 2041.6264 1920.5406 111.0113 -206610.4056 17935.0654 0.0000 0.0000 34197.4519 -149667.7404 298.6549 -183865.1923 -149570.4974 298.0370 -44.9880 -10.6710 556273.7125 -0.5815 -0.5494 PRESSURE: 3665200 -126.295 11.666 -13.3648 11.6673 -167.828 57.8006 -13.3657 57.799 212.56 GPRESSURE: 3665200 -115.109 63.7224 -38.5721 42.3374 -140.214 35.0723 -35.2473 -59.9256 261.074 PRESSAVG: 3665200 27.5177 -47.3824 -7.97004 -47.3825 24.8475 39.6319 -7.97006 39.632 7.20415 GPRESSAVG: 3665200 26.8012 -46.4534 -3.68287 -48.6983 24.6648 41.474 -10.2254 39.2356 8.13415 TIMING: 3665200 CPU: 11028.3, 0.00297012/step Wall: 11028.3, 0.00297012/step, 1.10126 hours remaining, 209.472656 MB of memory in use. ENERGY: 3665200 764.1061 2128.6747 1917.1278 119.9936 -206514.6972 17975.4772 0.0000 0.0000 33943.3783 -149665.9397 296.4360 -183609.3179 -149579.8772 297.8186 -27.1878 1.9168 556885.6656 19.8565 19.8667 PRESSURE: 3665400 262.066 162.184 -104.639 162.184 4.253 -9.57926 -104.639 -9.58002 47.5553 GPRESSURE: 3665400 283.511 91.0836 26.8854 222.622 4.76845 81.8591 -202.918 5.26315 122.663 PRESSAVG: 3665400 4.46764 -41.0032 -21.8368 -41.0031 -86.3426 15.0181 -21.8368 15.0182 34.1482 GPRESSAVG: 3665400 3.98976 -40.8865 -24.014 -40.8761 -85.7915 12.8769 -20.7799 17.1442 33.2893 TIMING: 3665400 CPU: 11028.9, 0.00296133/step Wall: 11028.9, 0.00296133/step, 1.09783 hours remaining, 209.472656 MB of memory in use. ENERGY: 3665400 713.9557 2065.6570 1965.8451 111.7855 -206513.4244 17922.9459 0.0000 0.0000 33962.7295 -149770.5057 296.6050 -183733.2351 -149678.0731 298.0483 104.6248 136.9807 557591.6164 -15.9089 -16.1708 PRESSURE: 3665600 -43.7119 -22.5126 52.5524 -22.5127 -247.217 158.242 52.5507 158.24 -354.641 GPRESSURE: 3665600 -44.0284 -17.6138 49.3098 -56.035 -199.942 152.834 42.2454 208.96 -308.471 PRESSAVG: 3665600 99.3043 3.57896 22.1961 3.57889 -42.7828 -16.7987 22.1961 -16.7988 -56.0545 GPRESSAVG: 3665600 100.108 3.68769 21.7005 2.23059 -43.1089 -13.9358 20.9475 -18.4602 -56.3117 TIMING: 3665600 CPU: 11029.5, 0.00295978/step Wall: 11029.5, 0.00295978/step, 1.09709 hours remaining, 209.472656 MB of memory in use. ENERGY: 3665600 751.5084 2113.5640 1942.4788 110.9367 -206371.8435 17736.8015 0.0000 0.0000 34055.9150 -149660.6392 297.4188 -183716.5542 -149562.4350 298.5154 -215.1902 -184.1471 558262.8712 0.1557 0.2292 PRESSURE: 3665800 36.7523 -28.2925 -167.303 -28.2915 -86.4778 126.831 -167.304 126.831 -166.329 GPRESSURE: 3665800 73.744 -120.467 -134.932 27.0238 -87.4978 138.432 -130.624 73.1567 -101.95 PRESSAVG: 3665800 -20.4244 -53.3272 -65.1999 -53.3272 -3.49652 31.3512 -65.1999 31.3512 -10.1096 GPRESSAVG: 3665800 -21.1272 -54.6459 -66.0354 -52.4457 -3.95039 30.7714 -62.2809 31.5864 -9.52186 TIMING: 3665800 CPU: 11030.1, 0.00299315/step Wall: 11030.1, 0.00299315/step, 1.1093 hours remaining, 209.472656 MB of memory in use. ENERGY: 3665800 757.6879 2032.2482 1916.5231 116.4553 -206771.6927 18124.2359 0.0000 0.0000 34076.4984 -149748.0441 297.5985 -183824.5424 -149653.1603 297.9050 -72.0183 -38.5680 559755.4998 -11.3435 -11.5331 PRESSURE: 3666000 25.2242 -65.7597 -13.3493 -65.7592 109.746 96.5444 -13.3484 96.5433 47.076 GPRESSURE: 3666000 59.2436 -71.5651 23.437 -98.8434 93.1619 58.2337 7.08257 39.3853 127.061 PRESSAVG: 3666000 38.5509 -69.8289 -61.1626 -69.8289 -0.921855 18.2989 -61.1626 18.2988 -70.2041 GPRESSAVG: 3666000 39.3432 -69.9417 -60.4895 -66.8229 -0.777888 18.114 -61.0572 16.7044 -70.64 TIMING: 3666000 CPU: 11030.7, 0.00297136/step Wall: 11030.7, 0.00297136/step, 1.10105 hours remaining, 209.472656 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: 3666000 743.4679 2088.8694 1951.4473 114.5692 -206646.4279 18033.9063 0.0000 0.0000 34192.9125 -149521.2553 298.6152 -183714.1678 -149430.1668 298.1906 60.6822 93.1555 557867.4435 -10.8583 -10.6916 PRESSURE: 3666200 -121.36 -100.968 -184.278 -100.968 -112.042 65.527 -184.279 65.5267 -116.271 GPRESSURE: 3666200 -75.1455 -78.2715 -188.087 -63.8965 -27.0863 78.9808 -160.283 107.942 -150.155 PRESSAVG: 3666200 18.3013 25.0111 8.01368 25.0109 -0.905153 21.3278 8.01358 21.3277 -44.8406 GPRESSAVG: 3666200 18.471 29.0225 6.86217 22.2193 -1.35753 21.8647 6.2992 23.2684 -44.379 TIMING: 3666200 CPU: 11031.3, 0.00297256/step Wall: 11031.3, 0.00297256/step, 1.10133 hours remaining, 209.472656 MB of memory in use. ENERGY: 3666200 740.9320 2071.2091 1925.4553 121.9668 -206482.7010 17792.8801 0.0000 0.0000 34257.8619 -149572.3958 299.1824 -183830.2577 -149473.5801 298.8334 -116.5577 -84.1290 556892.2691 -9.1481 -9.0885 PRESSURE: 3666400 162.187 -69.6217 98.067 -69.6213 165.124 0.927894 98.0668 0.927555 42.4582 GPRESSURE: 3666400 189.619 9.21109 82.2054 -29.9549 179.342 -107.893 -5.21431 -42.5203 103.837 PRESSAVG: 3666400 44.9439 -12.3914 3.62099 -12.3914 51.244 20.004 3.62092 20.0038 -41.2199 GPRESSAVG: 3666400 44.5449 -14.4942 5.69959 -11.6948 51.083 19.277 4.30455 19.8734 -41.0969 TIMING: 3666400 CPU: 11031.9, 0.00296306/step Wall: 11031.9, 0.00296306/step, 1.09765 hours remaining, 209.472656 MB of memory in use. ENERGY: 3666400 746.6475 2067.6314 1941.1588 113.5182 -206421.8714 17948.7115 0.0000 0.0000 34210.6165 -149393.5875 298.7698 -183604.2040 -149295.8595 299.4699 123.2563 157.5995 557717.7193 18.3227 18.1770 PRESSURE: 3666600 -112.518 -22.8801 69.3326 -22.8809 -170.19 39.0922 69.331 39.0927 -125.928 GPRESSURE: 3666600 -77.7139 -85.2554 116.288 -13.2537 -124.666 70.9832 41.7027 11.4768 -118.797 PRESSAVG: 3666600 13.1083 -27.5966 6.60563 -27.5967 -28.2557 32.8313 6.60571 32.8313 -29.3012 GPRESSAVG: 3666600 12.706 -29.5212 6.86287 -26.9083 -27.8251 33.1643 6.49221 32.5773 -29.185 TIMING: 3666600 CPU: 11032.5, 0.00297543/step Wall: 11032.5, 0.00297543/step, 1.10207 hours remaining, 209.472656 MB of memory in use. ENERGY: 3666600 742.9266 2071.3006 1932.0213 123.8733 -206101.0793 17746.9118 0.0000 0.0000 34061.1698 -149422.8760 297.4647 -183484.0458 -149331.1357 298.0778 -136.2119 -107.0590 560196.7559 -14.8162 -14.7680 PRESSURE: 3666800 68.0226 -151.62 -68.5275 -151.619 108.256 -98.9145 -68.5272 -98.913 -64.7114 GPRESSURE: 3666800 119.496 -106.971 -69.7667 -107.513 148.924 -52.0966 -37.9988 -121.67 -50.817 PRESSAVG: 3666800 4.39663 55.958 10.8124 55.958 51.9825 22.6503 10.8125 22.6503 -2.27031 GPRESSAVG: 3666800 5.3395 56.6886 7.68482 54.6812 51.2587 23.552 13.6332 21.1879 -3.00499 TIMING: 3666800 CPU: 11033.1, 0.00296641/step Wall: 11033.1, 0.00296641/step, 1.09856 hours remaining, 209.472656 MB of memory in use. ENERGY: 3666800 745.2810 2075.3955 1924.5679 108.3975 -206367.7892 18019.4202 0.0000 0.0000 33994.2528 -149500.4742 296.8803 -183494.7270 -149399.7592 297.8949 37.1890 72.5343 557947.2009 18.0363 17.8644 PRESSURE: 3667000 41.7852 143.162 -98.9866 143.163 -201.772 -186.203 -98.9847 -186.203 -86.0846 GPRESSURE: 3667000 13.7807 114.396 -58.0414 133.069 -154.254 -142.665 -128.682 -154.964 -15.5603 PRESSAVG: 3667000 -31.3843 -13.8108 21.0431 -13.8108 36.5434 -46.7791 21.0431 -46.7792 11.7091 GPRESSAVG: 3667000 -32.6774 -12.6319 22.2892 -13.4135 37.4835 -47.2665 20.3696 -44.3949 12.1293 TIMING: 3667000 CPU: 11033.7, 0.00297324/step Wall: 11033.7, 0.00297324/step, 1.10093 hours remaining, 209.472656 MB of memory in use. ENERGY: 3667000 780.5398 2045.0539 1984.4021 113.9027 -206551.9830 17854.8710 0.0000 0.0000 34207.1691 -149566.0443 298.7397 -183773.2134 -149467.3734 297.7873 -82.0237 -52.0113 558964.5182 5.6227 5.6451 PRESSURE: 3667200 15.2942 -126.455 3.93993 -126.455 119.715 -19.7456 3.9401 -19.7456 62.1155 GPRESSURE: 3667200 44.2196 -75.6588 -15.2878 -146.733 136.401 -55.4085 14.1789 50.5632 111.632 PRESSAVG: 3667200 -11.761 -19.7349 26.9174 -19.735 -9.25889 -21.7416 26.9174 -21.7416 -15.8104 GPRESSAVG: 3667200 -10.9789 -20.1238 27.6207 -19.3192 -10.3841 -22.8461 25.2818 -21.1884 -15.4239 TIMING: 3667200 CPU: 11034.3, 0.00298843/step Wall: 11034.3, 0.00298843/step, 1.10638 hours remaining, 209.472656 MB of memory in use. ENERGY: 3667200 747.2754 2053.6658 1923.9243 104.2811 -206518.0082 17978.4966 0.0000 0.0000 34179.6913 -149530.6737 298.4997 -183710.3651 -149432.5036 297.9198 65.7083 97.4175 557431.8776 -12.2767 -12.2623 PRESSURE: 3667400 -163.85 -166.407 -174.577 -166.409 71.2353 -152.362 -174.577 -152.361 -171.882 GPRESSURE: 3667400 -101.81 -155.33 -116.228 -155.734 79.0648 -155.592 -253.029 -167.064 -151.849 PRESSAVG: 3667400 -9.49222 43.8856 -73.1015 43.8856 52.0762 -49.5434 -73.1016 -49.5433 -37.6692 GPRESSAVG: 3667400 -9.26521 43.4365 -73.6273 43.2943 52.6863 -48.4174 -72.6239 -49.9784 -38.8894 TIMING: 3667400 CPU: 11034.9, 0.00297484/step Wall: 11034.9, 0.00297484/step, 1.10119 hours remaining, 209.472656 MB of memory in use. ENERGY: 3667400 770.4092 2072.1019 1938.3872 110.2396 -206122.3815 17779.5231 0.0000 0.0000 34217.7672 -149233.9533 298.8323 -183451.7206 -149138.2795 298.5330 -88.1655 -58.1980 557939.5058 1.6383 1.5106 PRESSURE: 3667600 -17.5945 -115.602 22.9151 -115.601 -66.001 -27.6875 22.9146 -27.6879 -57.6784 GPRESSURE: 3667600 -33.1705 -168.046 -71.927 -100.551 -4.49434 18.9003 36.4064 28.2842 5.37873 PRESSAVG: 3667600 -61.3319 5.67333 -6.33601 5.67338 53.4538 -23.9777 -6.33594 -23.9778 42.4363 GPRESSAVG: 3667600 -60.6739 7.01646 -6.13897 5.76834 52.7751 -24.595 -7.35817 -25.6539 42.0421 TIMING: 3667600 CPU: 11035.5, 0.0029807/step Wall: 11035.5, 0.0029807/step, 1.10319 hours remaining, 209.472656 MB of memory in use. ENERGY: 3667600 743.1233 2105.1729 1943.6474 104.6494 -205858.2029 17514.2678 0.0000 0.0000 34162.2013 -149285.1406 298.3470 -183447.3420 -149182.7077 299.6345 -47.0913 -10.7620 557162.5108 11.5194 11.3811 PRESSURE: 3667800 -15.6787 10.7397 39.3248 10.7407 -354.536 -46.662 39.3248 -46.6639 -260.206 GPRESSURE: 3667800 -2.83143 -30.5129 44.2084 -99.9434 -313.374 -107.067 -11.389 -43.6909 -213.052 PRESSAVG: 3667800 -23.2002 -31.0782 -19.6402 -31.0782 -9.9714 4.15924 -19.6403 4.15934 -16.7161 GPRESSAVG: 3667800 -23.7114 -30.6931 -18.9372 -31.9572 -9.96596 5.48145 -19.0804 4.43902 -15.6008 TIMING: 3667800 CPU: 11036, 0.00296215/step Wall: 11036, 0.00296215/step, 1.09616 hours remaining, 209.472656 MB of memory in use. ENERGY: 3667800 723.2059 2101.4156 1933.6720 114.4724 -206199.4833 17561.1506 0.0000 0.0000 34367.2106 -149398.3561 300.1374 -183765.5667 -149299.8454 298.7277 -210.1403 -176.4191 558671.0031 -16.6292 -16.4261 PRESSURE: 3668000 314.292 -101.681 39.8812 -101.68 190.356 -1.992 39.8814 -1.99205 202.965 GPRESSURE: 3668000 350.627 -30.2006 86.4538 -112.311 205.33 -28.1775 42.4838 45.8472 256.485 PRESSAVG: 3668000 33.8087 -1.84535 -27.8562 -1.84533 -12.6389 -29.651 -27.8561 -29.6509 -27.8 GPRESSAVG: 3668000 34.4508 -4.3924 -28.6021 -0.22937 -11.7111 -29.8262 -27.9648 -29.2165 -28.5839 TIMING: 3668000 CPU: 11036.6, 0.00295024/step Wall: 11036.6, 0.00295024/step, 1.09159 hours remaining, 209.472656 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: 3668000 761.2084 2080.0902 1936.3224 115.6658 -206750.1190 18389.9536 0.0000 0.0000 34312.7238 -149154.1549 299.6616 -183466.8788 -149062.8068 299.2585 235.8710 270.8140 557669.5233 -2.2101 -1.9481 PRESSURE: 3668200 -165.364 35.7751 -12.4367 35.7744 -115.704 -111.979 -12.4372 -111.979 -353.856 GPRESSURE: 3668200 -128.889 87.9607 3.22128 -51.2174 -82.0403 -124.397 9.9209 -159.828 -337.184 PRESSAVG: 3668200 56.7635 37.2425 8.41323 37.2426 51.1681 -9.40797 8.41315 -9.40805 -74.4383 GPRESSAVG: 3668200 55.7409 37.0599 7.24576 37.5099 52.6407 -9.20818 8.15178 -9.84099 -74.6491 TIMING: 3668200 CPU: 11037.2, 0.00295783/step Wall: 11037.2, 0.00295783/step, 1.09423 hours remaining, 209.472656 MB of memory in use. ENERGY: 3668200 760.8672 2065.7554 1931.5859 114.7676 -206045.0643 17637.1771 0.0000 0.0000 34237.8912 -149297.0199 299.0080 -183534.9111 -149196.9689 299.3501 -211.6414 -182.7046 558270.2258 11.1644 11.2441 LDB: ============= START OF LOAD BALANCING ============== 11040.7 LDB: ============== END OF LOAD BALANCING =============== 11040.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11040.7 LDB: ============= START OF LOAD BALANCING ============== 11041 LDB: Largest compute 4802 load 0.028050 is 23.7% of average load 0.118239 LDB: Average compute 0.001722 is 1.5% of average load 0.118239 LDB: TIME 11041 LOAD: AVG 0.118239 MAX 0.212761 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.324 MB LDB: TIME 11041 LOAD: AVG 0.118239 MAX 0.212761 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.527 MB LDB: TIME 11041 LOAD: AVG 0.118239 MAX 0.212761 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.527 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11041 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11041 PRESSURE: 3668400 159.433 109.177 120.612 109.177 178.968 90.0515 120.612 90.05 122.852 GPRESSURE: 3668400 199.619 42.2728 106.665 93.2952 208.495 89.6712 76.2547 78.0925 139.498 PRESSAVG: 3668400 -3.97182 -13.3845 5.51641 -13.3845 52.8828 -17.6669 5.51647 -17.6668 -66.299 GPRESSAVG: 3668400 -4.04096 -10.713 5.91197 -13.7994 52.1557 -17.9276 6.87291 -17.7792 -65.5642 TIMING: 3668400 CPU: 11037.8, 0.00303489/step Wall: 11037.8, 0.00303489/step, 1.12257 hours remaining, 210.480469 MB of memory in use. ENERGY: 3668400 744.7145 2057.0864 1959.1613 112.2959 -206194.6392 17905.8295 0.0000 0.0000 34085.4889 -149330.0628 297.6771 -183415.5517 -149230.8334 298.5674 153.7508 182.5375 556303.8362 -5.7960 -5.8165 PRESSURE: 3668600 105.526 -70.2809 -54.8645 -70.2807 116.925 37.7361 -54.8644 37.7377 -78.8829 GPRESSURE: 3668600 85.7177 -15.2556 9.81769 -55.104 141.446 -5.10499 -7.65181 23.2192 12.2934 PRESSAVG: 3668600 3.85264 -0.186157 -74.8697 -0.186137 82.232 5.87684 -74.8697 5.87684 -17.2158 GPRESSAVG: 3668600 4.07929 -2.2223 -74.8346 0.4115 80.8436 6.77679 -76.495 4.479 -16.183 TIMING: 3668600 CPU: 11038.4, 0.00296836/step Wall: 11038.4, 0.00296836/step, 1.0978 hours remaining, 210.683594 MB of memory in use. ENERGY: 3668600 759.6062 2085.9496 1941.3403 122.4225 -206183.7620 17762.3216 0.0000 0.0000 34104.6306 -149407.4911 297.8442 -183512.1217 -149308.5916 298.8809 47.8560 79.8191 557268.5853 22.9563 22.9133 PRESSURE: 3668800 57.6087 48.6811 -50.5206 48.6815 3.21935 -215.759 -50.52 -215.76 -63.1486 GPRESSURE: 3668800 77.7657 109.401 -71.3895 69.5983 80.2262 -150.943 -9.22539 -201.62 -59.2728 PRESSAVG: 3668800 -23.239 -20.5086 -31.1016 -20.5086 11.2329 -52.4717 -31.1017 -52.4716 22.0848 GPRESSAVG: 3668800 -23.1432 -19.254 -30.4886 -21.0676 13.3267 -51.48 -31.6263 -51.8964 20.0054 TIMING: 3668800 CPU: 11039, 0.00295003/step Wall: 11039, 0.00295003/step, 1.09086 hours remaining, 210.683594 MB of memory in use. ENERGY: 3668800 724.4399 2118.8054 1929.7027 98.8081 -206314.3389 17855.8987 0.0000 0.0000 34123.7767 -149462.9074 298.0114 -183586.6841 -149366.5093 298.7453 -0.7735 32.9064 557670.1864 3.3596 3.3963 PRESSURE: 3669000 81.721 50.3973 -96.5869 50.3967 161.834 -86.1211 -96.5867 -86.1209 -48.559 GPRESSURE: 3669000 165.386 78.5877 -110.012 57.6537 229.25 -11.355 -108.585 -131.765 -83.8067 PRESSAVG: 3669000 6.08431 -1.48229 -27.1944 -1.48221 26.8413 -23.0077 -27.1944 -23.0077 12.5266 GPRESSAVG: 3669000 6.39895 -3.68591 -28.0653 1.01478 26.6695 -24.4825 -26.7308 -23.0734 12.7775 TIMING: 3669000 CPU: 11039.6, 0.00294963/step Wall: 11039.6, 0.00294963/step, 1.09054 hours remaining, 210.683594 MB of memory in use. ENERGY: 3669000 727.0607 2065.1600 1937.3482 116.1245 -206395.4812 17910.6201 0.0000 0.0000 34342.4564 -149296.7113 299.9212 -183639.1677 -149206.5745 298.9677 64.9987 103.6098 556425.2387 15.1507 15.2820 PRESSURE: 3669200 93.8514 -66.4721 -50.0628 -66.4707 216.908 57.0039 -50.0621 57.0047 42.5172 GPRESSURE: 3669200 163.199 -112.991 -70.7645 -82.5289 193.514 152.398 -132.115 -56.0274 94.136 PRESSAVG: 3669200 -57.9418 -12.7945 21.965 -12.7945 -2.12453 -35.7454 21.9651 -35.7455 34.9796 GPRESSAVG: 3669200 -58.9529 -10.5488 20.9122 -15.5482 -1.84172 -34.0242 21.8745 -35.9118 35.3778 TIMING: 3669200 CPU: 11040.2, 0.00295907/step Wall: 11040.2, 0.00295907/step, 1.09387 hours remaining, 210.683594 MB of memory in use. ENERGY: 3669200 767.6016 2038.3210 1920.7022 106.7539 -206455.4121 18041.7809 0.0000 0.0000 34237.3553 -149342.8972 299.0033 -183580.2525 -149244.3658 298.3905 117.7589 150.2832 556718.4590 -8.3622 -8.4723 PRESSURE: 3669400 -153.693 170.571 -171.429 170.572 147.641 14.3185 -171.429 14.3201 20.434 GPRESSURE: 3669400 -102.887 172.128 -184.233 115.838 179.39 75.3832 -146.547 -30.4064 35.0384 PRESSAVG: 3669400 -39.1713 74.4025 -32.7328 74.4025 60.1434 16.0041 -32.7328 16.0039 -27.4005 GPRESSAVG: 3669400 -38.5076 75.6838 -31.8762 74.3045 59.3483 15.5204 -32.6551 15.1382 -27.0424 TIMING: 3669400 CPU: 11040.8, 0.00293825/step Wall: 11040.8, 0.00293825/step, 1.08601 hours remaining, 210.683594 MB of memory in use. ENERGY: 3669400 676.2904 2078.6098 1960.0383 112.9155 -205998.1677 17684.4790 0.0000 0.0000 34072.7446 -149413.0901 297.5658 -183485.8347 -149315.1450 298.3678 4.7939 37.1806 557744.4883 -2.1428 -2.0672 PRESSURE: 3669600 230.401 -37.0282 210.048 -37.0291 161.148 -17.7162 210.047 -17.7165 367.499 GPRESSURE: 3669600 289.145 -28.0453 246.461 25.5361 181.462 -7.25594 168.473 -38.3804 383.721 PRESSAVG: 3669600 5.76355 18.3578 9.3442 18.3578 71.5335 -64.205 9.3441 -64.205 -41.5636 GPRESSAVG: 3669600 5.43921 18.1834 9.95645 19.0309 72.3784 -64.2255 10.5154 -61.8004 -42.3412 TIMING: 3669600 CPU: 11041.4, 0.00294222/step Wall: 11041.4, 0.00294222/step, 1.08731 hours remaining, 210.683594 MB of memory in use. ENERGY: 3669600 739.3853 2076.9254 1929.5409 105.9653 -206549.6042 18016.4743 0.0000 0.0000 34046.0678 -149635.2453 297.3328 -183681.3131 -149542.0328 298.6247 253.0161 284.7761 554949.2959 11.9111 11.8255 PRESSURE: 3669800 -74.1927 99.2172 -91.5075 99.218 17.1689 58.3421 -91.5091 58.3425 -246.246 GPRESSURE: 3669800 -32.7019 61.5714 -95.375 78.12 15.68 53.9014 -105.652 51.0793 -182.337 PRESSAVG: 3669800 26.4173 14.1741 11.665 14.1741 -36.9658 21.1105 11.665 21.1106 18.0959 GPRESSAVG: 3669800 26.34 13.6148 10.271 13.1642 -37.2384 18.9897 10.4867 22.1794 18.9528 TIMING: 3669800 CPU: 11042, 0.00295978/step Wall: 11042, 0.00295978/step, 1.09364 hours remaining, 210.886719 MB of memory in use. ENERGY: 3669800 747.9374 2066.8889 1933.7731 119.4618 -206333.6595 17591.8979 0.0000 0.0000 34381.8206 -149491.8798 300.2650 -183873.7003 -149394.6385 297.9247 -101.0901 -66.4531 556112.7370 2.5158 2.6848 PRESSURE: 3670000 -129.109 -55.7465 97.5665 -55.7464 -232.54 -102.006 97.5676 -102.007 -61.4063 GPRESSURE: 3670000 -127.936 -17.4862 26.2079 -76.1359 -145.605 -99.2855 122.283 -109.987 -40.5413 PRESSAVG: 3670000 17.3359 3.41758 11.2122 3.41756 -18.6295 -14.8915 11.2122 -14.8916 18.7449 GPRESSAVG: 3670000 19.0675 2.39573 13.3101 4.66191 -19.2989 -12.7667 10.7507 -16.2264 17.7129 TIMING: 3670000 CPU: 11042.6, 0.00297333/step Wall: 11042.6, 0.00297333/step, 1.09848 hours remaining, 210.886719 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: 3670000 757.2203 2084.1718 1938.5724 110.8684 -206503.7066 17849.7902 0.0000 0.0000 34313.3947 -149449.6888 299.6674 -183763.0835 -149355.7032 298.7674 -141.0184 -104.6941 557004.3463 5.8171 5.8272 PRESSURE: 3670200 -145.062 111.957 4.80985 111.957 125.368 27.4325 4.81092 27.4316 93.4769 GPRESSURE: 3670200 -66.9195 125.478 27.4928 91.1906 117.466 -40.9956 -21.8455 17.2237 119.58 PRESSAVG: 3670200 -1.38134 -19.5797 -31.0123 -19.5796 -32.3898 2.00468 -31.0124 2.00468 42.4514 GPRESSAVG: 3670200 -1.86618 -18.932 -30.8261 -20.0431 -32.1316 0.22355 -31.3421 0.836346 42.4717 TIMING: 3670200 CPU: 11043.2, 0.00300818/step Wall: 11043.2, 0.00300818/step, 1.11119 hours remaining, 210.886719 MB of memory in use. ENERGY: 3670200 741.4588 2037.4940 1942.8762 118.3798 -206242.6279 17904.5648 0.0000 0.0000 34146.7768 -149351.0775 298.2123 -183497.8543 -149253.1451 298.6968 24.5941 56.7087 557193.2392 2.8934 2.8246 PRESSURE: 3670400 12.7108 96.5989 -70.5361 96.5989 -170.783 133.801 -70.5373 133.803 -1.03666 GPRESSURE: 3670400 68.4649 133.788 -8.86436 65.5535 -132.061 33.9567 -147.119 228.757 0.98269 PRESSAVG: 3670400 -41.817 20.8 -15.571 20.8 4.39176 -29.9489 -15.5711 -29.9487 24.2636 GPRESSAVG: 3670400 -42.3325 19.3561 -15.7468 20.243 5.9449 -30.9044 -16.8733 -26.7069 24.3394 TIMING: 3670400 CPU: 11043.8, 0.00301991/step Wall: 11043.8, 0.00301991/step, 1.11535 hours remaining, 210.886719 MB of memory in use. ENERGY: 3670400 718.5638 2058.1106 1943.7543 115.5228 -206113.2832 17632.6913 0.0000 0.0000 34348.4572 -149296.1833 299.9736 -183644.6405 -149198.5335 298.8754 -53.0362 -20.8710 555733.3561 -4.3872 -4.0161 PRESSURE: 3670600 -60.1685 -48.2559 62.067 -48.2561 205.785 166.006 62.0675 166.007 -74.9219 GPRESSURE: 3670600 -43.1799 -1.28885 45.9518 -85.0611 244.677 205.17 12.2612 144.361 -40.9197 PRESSAVG: 3670600 59.4043 1.69495 -22.4189 1.69493 -78.5316 -0.626445 -22.4188 -0.62638 28.6222 GPRESSAVG: 3670600 59.4936 2.6369 -23.5315 2.07596 -78.5173 1.52407 -21.2801 -3.98078 28.6411 TIMING: 3670600 CPU: 11044.4, 0.00298358/step Wall: 11044.4, 0.00298358/step, 1.10177 hours remaining, 210.886719 MB of memory in use. ENERGY: 3670600 730.9699 2036.8015 1955.2247 100.6002 -205937.0380 17729.5156 0.0000 0.0000 34334.4125 -149049.5136 299.8510 -183383.9262 -148950.3355 299.5788 23.5647 53.5259 557480.2447 3.1650 3.2058 PRESSURE: 3670800 35.2104 -18.9587 -272.851 -18.9575 -89.3043 -32.0211 -272.851 -32.0222 -114.655 GPRESSURE: 3670800 81.9183 -62.9586 -262.381 8.59452 -74.0794 -7.87339 -254.326 1.21351 -89.7926 PRESSAVG: 3670800 -10.3043 29.8166 -33.3461 29.8165 50.7552 9.66667 -33.3461 9.66677 -67.6317 GPRESSAVG: 3670800 -10.2583 28.4189 -31.9228 32.5543 50.3943 9.28177 -32.5141 10.8805 -67.2251 TIMING: 3670800 CPU: 11045, 0.00297185/step Wall: 11045, 0.00297185/step, 1.09727 hours remaining, 211.089844 MB of memory in use. ENERGY: 3670800 741.2587 2086.0891 1959.6219 117.6897 -206193.7006 17803.3732 0.0000 0.0000 34483.9212 -149001.7469 301.1567 -183485.6680 -148903.1175 300.2283 -56.2497 -27.3179 557493.0029 -9.0603 -9.0297 PRESSURE: 3671000 246.731 -23.5591 -46.1291 -23.5596 137.486 -0.681593 -46.1282 -0.681331 225.33 GPRESSURE: 3671000 235.908 -73.3112 -22.0875 14.3906 210.079 18.9924 -82.1557 -4.82105 261.043 PRESSAVG: 3671000 4.26592 12.8674 11.9641 12.8674 54.0572 -47.3236 11.9642 -47.3236 -33.8048 GPRESSAVG: 3671000 4.99779 13.7568 11.8416 9.84208 53.4587 -46.7666 10.2533 -46.9224 -34.2237 TIMING: 3671000 CPU: 11045.6, 0.00300259/step Wall: 11045.6, 0.00300259/step, 1.10846 hours remaining, 211.089844 MB of memory in use. ENERGY: 3671000 741.8325 2070.8521 1948.8177 109.0390 -206349.3799 18027.2712 0.0000 0.0000 34324.8849 -149126.6824 299.7678 -183451.5674 -149036.1597 300.4398 203.1822 235.6769 556300.2962 8.1728 8.0776 PRESSURE: 3671200 89.6195 36.7317 223.208 36.7327 -17.0752 -55.4818 223.209 -55.482 6.98044 GPRESSURE: 3671200 94.8508 -17.2311 184.92 47.2119 -31.6735 -102.57 227.339 -5.71008 102.755 PRESSAVG: 3671200 -12.8119 -37.7751 50.8974 -37.7751 34.4634 24.443 50.8974 24.443 12.1814 GPRESSAVG: 3671200 -13.0496 -36.8503 48.6203 -35.5552 34.0866 23.0894 53.3322 23.2847 12.6896 TIMING: 3671200 CPU: 11046.2, 0.00302378/step Wall: 11046.2, 0.00302378/step, 1.11611 hours remaining, 211.089844 MB of memory in use. ENERGY: 3671200 776.5906 2082.7055 1964.6558 123.6152 -206017.3782 17746.7436 0.0000 0.0000 34257.3881 -149065.6794 299.1783 -183323.0674 -148967.4141 299.7946 26.5083 55.3108 556395.9853 11.2776 11.2422 PRESSURE: 3671400 74.7967 -118.174 100.742 -118.173 -39.2435 153.27 100.744 153.27 174.923 GPRESSURE: 3671400 93.4293 -110.575 50.8695 -63.9939 22.0993 194.778 90.1857 169.958 196.537 PRESSAVG: 3671400 2.94585 -21.5845 69.4521 -21.5846 -55.8227 14.0604 69.4521 14.0604 86.3127 GPRESSAVG: 3671400 3.43748 -22.5712 69.3795 -22.9019 -54.9155 15.9894 68.3132 12.8557 85.2258 TIMING: 3671400 CPU: 11046.8, 0.00300982/step Wall: 11046.8, 0.00300982/step, 1.11079 hours remaining, 211.089844 MB of memory in use. ENERGY: 3671400 731.9967 2086.8405 1959.6027 118.9092 -206016.5887 17913.4250 0.0000 0.0000 34060.3850 -149145.4295 297.4578 -183205.8145 -149049.7587 299.5914 70.1587 104.0220 558044.7822 11.1453 11.2493 PRESSURE: 3671600 213.371 60.1814 132.823 60.1821 105.168 125.036 132.822 125.035 -24.1074 GPRESSURE: 3671600 284.897 120.981 132.95 101.28 98.8725 59.5886 108.035 146.585 1.09918 PRESSAVG: 3671600 60.4644 25.1428 23.4323 25.1429 -71.4632 22.846 23.4324 22.8458 -29.5639 GPRESSAVG: 3671600 60.0621 27.0866 25.8962 24.3675 -70.8874 19.7772 23.1582 25.8592 -29.16 TIMING: 3671600 CPU: 11047.4, 0.00303025/step Wall: 11047.4, 0.00303025/step, 1.11816 hours remaining, 211.089844 MB of memory in use. ENERGY: 3671600 723.7448 2056.7891 1933.4372 103.8387 -206214.6668 17831.2544 0.0000 0.0000 34283.4334 -149282.1691 299.4058 -183565.6026 -149186.9321 299.4488 98.1437 128.2896 556590.3080 -13.5209 -13.3284 PRESSURE: 3671800 67.5464 2.93909 -38.8826 2.93959 92.0682 148.893 -38.8827 148.892 26.9025 GPRESSURE: 3671800 101.769 1.82286 -148.383 -26.9868 102.259 159.196 -10.8388 179.812 72.9769 PRESSAVG: 3671800 11.8298 35.6183 -0.354573 35.6182 15.6855 67.5576 -0.354585 67.5577 7.31532 GPRESSAVG: 3671800 11.4606 32.4588 -0.67902 35.2785 15.4647 70.0619 -0.613191 68.2764 7.8215 TIMING: 3671800 CPU: 11048, 0.00300559/step Wall: 11048, 0.00300559/step, 1.1089 hours remaining, 211.089844 MB of memory in use. ENERGY: 3671800 699.3200 2013.6291 1951.7635 115.5985 -206096.1780 17871.9970 0.0000 0.0000 34240.4055 -149203.4644 299.0300 -183443.8699 -149102.5318 299.6692 62.1724 92.3349 557701.3733 11.6102 11.5823 PRESSURE: 3672000 -40.5522 -6.18707 -7.49193 -6.18669 -124.993 96.0715 -7.49344 96.0725 160.123 GPRESSURE: 3672000 42.1972 34.7892 -13.106 -26.3761 -67.322 49.7487 33.8492 75.3059 109.139 PRESSAVG: 3672000 -50.0876 -11.1358 -29.6449 -11.1358 -18.9602 31.5624 -29.645 31.5624 66.2066 GPRESSAVG: 3672000 -50.057 -10.1704 -30.126 -9.28342 -18.8021 30.4362 -29.6156 30.5292 66.9516 TIMING: 3672000 CPU: 11048.6, 0.00298736/step Wall: 11048.6, 0.00298736/step, 1.102 hours remaining, 211.089844 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: 3672000 728.3244 2085.5796 1917.7614 113.9376 -205996.2760 17741.8197 0.0000 0.0000 34320.8741 -149087.9792 299.7327 -183408.8533 -148988.9485 299.7554 -1.8073 28.0047 557187.1321 -0.9471 -0.6358 PRESSURE: 3672200 -194.223 59.3972 -113.709 59.3956 -178.676 136.354 -113.709 136.353 0.0414046 GPRESSURE: 3672200 -214.159 92.3581 28.3927 60.4841 -127.369 95.448 -138.371 132.244 71.6469 PRESSAVG: 3672200 -7.72371 47.7538 18.5851 47.7538 14.4632 29.1516 18.5853 29.1515 -44.0478 GPRESSAVG: 3672200 -7.66468 48.1032 19.7736 46.4434 15.8622 30.1365 18.9949 28.7838 -45.1963 TIMING: 3672200 CPU: 11049.2, 0.00301814/step Wall: 11049.2, 0.00301814/step, 1.11319 hours remaining, 211.089844 MB of memory in use. ENERGY: 3672200 763.3633 2051.4701 1950.3866 101.1731 -205970.8369 17581.1483 0.0000 0.0000 34394.1379 -149129.1577 300.3726 -183523.2956 -149030.5432 299.6897 -124.2858 -89.9604 556600.6321 -12.4361 -12.3329 LDB: ============= START OF LOAD BALANCING ============== 11052.7 LDB: ============== END OF LOAD BALANCING =============== 11052.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11052.7 LDB: ============= START OF LOAD BALANCING ============== 11053 LDB: Largest compute 4802 load 0.029271 is 24.8% of average load 0.118212 LDB: Average compute 0.001711 is 1.4% of average load 0.118212 LDB: TIME 11053 LOAD: AVG 0.118212 MAX 0.210537 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.23 MB LDB: TIME 11053 LOAD: AVG 0.118212 MAX 0.210537 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.301 MB LDB: TIME 11053 LOAD: AVG 0.118212 MAX 0.210537 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.301 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11053 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11053 PRESSURE: 3672400 113.561 -77.5053 90.8144 -77.5033 100.683 -98.3273 90.8122 -98.327 242.799 GPRESSURE: 3672400 136.194 -93.4955 108.952 -86.4144 158.556 -114.145 36.7385 -97.9795 251.195 PRESSAVG: 3672400 -17.5173 18.3305 41.4152 18.3304 -20.7883 2.07372 41.4152 2.07388 40.7045 GPRESSAVG: 3672400 -17.3363 18.1061 40.5694 17.8529 -20.6692 1.84891 39.9182 1.67085 40.9087 TIMING: 3672400 CPU: 11049.8, 0.00303412/step Wall: 11049.8, 0.00303412/step, 1.11891 hours remaining, 209.453125 MB of memory in use. ENERGY: 3672400 740.1252 2006.0888 1939.7132 98.6282 -206165.7375 17828.0846 0.0000 0.0000 34307.4038 -149245.6938 299.6151 -183553.0976 -149145.5646 299.2933 152.3476 181.9815 555327.7345 0.7997 0.9678 PRESSURE: 3672600 24.6944 21.713 -113.339 21.7132 110.182 154.793 -113.338 154.793 31.0057 GPRESSURE: 3672600 74.5856 2.6314 -132.993 3.18528 117.89 127.724 -62.5758 93.0957 72.741 PRESSAVG: 3672600 1.30605 -24.2348 8.34432 -24.2347 9.32796 -11.1851 8.34437 -11.185 -35.9774 GPRESSAVG: 3672600 2.57282 -25.3343 7.7299 -23.7009 8.57716 -12.5572 9.66709 -10.7201 -36.9723 TIMING: 3672600 CPU: 11050.4, 0.00301675/step Wall: 11050.4, 0.00301675/step, 1.11234 hours remaining, 209.710938 MB of memory in use. ENERGY: 3672600 722.9796 2059.0771 1913.9368 106.8613 -206094.5657 17867.5185 0.0000 0.0000 34218.5924 -149205.5999 298.8395 -183424.1923 -149113.3057 299.1954 55.2940 88.4057 556913.0958 -8.4478 -8.6074 PRESSURE: 3672800 -24.6285 2.38704 -4.34722 2.38742 -191.196 -47.3803 -4.347 -47.3794 -401.863 GPRESSURE: 3672800 -41.8167 124.269 24.5897 -96.1112 -159.489 -19.7532 14.165 -12.2486 -329.982 PRESSAVG: 3672800 -20.9587 26.438 0.588214 26.438 -20.5606 9.26309 0.588152 9.26299 16.8584 GPRESSAVG: 3672800 -22.312 28.4326 3.47283 26.7129 -21.1097 10.7217 0.671502 8.07114 18.5276 TIMING: 3672800 CPU: 11051, 0.00299112/step Wall: 11051, 0.00299112/step, 1.10273 hours remaining, 209.710938 MB of memory in use. ENERGY: 3672800 785.3454 2084.4447 1932.0146 101.0596 -205956.0577 17527.8440 0.0000 0.0000 34131.3232 -149394.0263 298.0773 -183525.3495 -149290.1011 298.6606 -205.8958 -177.0961 557996.1989 -8.2203 -8.2980 PRESSURE: 3673000 -158.452 18.3056 -37.2188 18.306 -118.397 284.455 -37.2187 284.455 -234.339 GPRESSURE: 3673000 -130.742 41.8056 -59.9822 -90.6354 -33.2952 277.243 -18.5689 257.538 -245.45 PRESSAVG: 3673000 41.2625 23.7015 -51.1321 23.7016 -13.2226 12.1498 -51.1321 12.1499 -9.74423 GPRESSAVG: 3673000 41.328 21.1328 -55.741 24.8584 -13.2284 11.8579 -50.8575 12.0849 -9.26395 TIMING: 3673000 CPU: 11051.6, 0.00296842/step Wall: 11051.6, 0.00296842/step, 1.09419 hours remaining, 209.710938 MB of memory in use. ENERGY: 3673000 750.6619 2091.0491 1940.7128 104.1492 -206175.0235 17735.2318 0.0000 0.0000 34057.5728 -149495.6459 297.4333 -183553.2186 -149402.2204 298.2153 -170.3960 -136.4956 557255.9020 6.0986 6.2785 PRESSURE: 3673200 66.5282 -2.16834 41.8393 -2.16825 -334.136 -1.57593 41.8389 -1.57516 -56.1346 GPRESSURE: 3673200 60.3421 48.1593 9.34998 -37.0108 -292.749 -63.1549 121.893 -44.8043 5.60829 PRESSAVG: 3673200 -28.8073 -4.86844 13.8927 -4.86844 -9.63087 9.21346 13.8926 9.2134 13.4049 GPRESSAVG: 3673200 -28.2677 -2.46912 15.039 -7.02826 -9.66766 8.70416 14.7597 9.00406 13.1624 TIMING: 3673200 CPU: 11052.2, 0.00297954/step Wall: 11052.2, 0.00297954/step, 1.09813 hours remaining, 209.710938 MB of memory in use. ENERGY: 3673200 761.9635 2094.3880 1932.8443 111.8164 -205827.2035 17457.1769 0.0000 0.0000 34038.8321 -149430.1822 297.2696 -183469.0143 -149340.2329 298.6550 -107.9143 -75.5994 557758.6310 -8.3444 -8.2577 PRESSURE: 3673400 154.986 137.782 147.227 137.781 -30.8319 -26.6023 147.228 -26.6044 -25.6816 GPRESSURE: 3673400 209.109 90.1989 94.7706 143.655 -49.1451 -26.0721 113.49 -48.5619 42.6468 PRESSAVG: 3673400 2.14453 -11.3546 48.1633 -11.3545 19.4804 -32.284 48.1634 -32.284 35.4414 GPRESSAVG: 3673400 2.17407 -11.571 47.1551 -8.86225 20.1335 -31.7702 49.312 -30.259 35.5529 TIMING: 3673400 CPU: 11052.8, 0.00298283/step Wall: 11052.8, 0.00298283/step, 1.09917 hours remaining, 209.710938 MB of memory in use. ENERGY: 3673400 750.5044 2083.2220 1939.3492 107.5156 -206742.8532 18063.0377 0.0000 0.0000 34491.0179 -149308.2065 301.2186 -183799.2244 -149222.4367 298.8541 32.8242 67.5367 556911.4605 19.0221 19.2868 PRESSURE: 3673600 -19.9172 -37.584 137.051 -37.5834 186.171 22.6297 137.051 22.6298 -311.067 GPRESSURE: 3673600 40.6985 -135.908 132.037 -29.5219 234.558 37.6525 184.599 109.006 -314.522 PRESSAVG: 3673600 22.675 0.535392 29.6164 0.53541 78.577 -30.5658 29.6163 -30.5658 -66.0493 GPRESSAVG: 3673600 22.3728 -1.01216 31.2836 -1.73931 78.5445 -32.2781 28.8536 -31.7278 -66.0506 TIMING: 3673600 CPU: 11053.4, 0.00301872/step Wall: 11053.4, 0.00301872/step, 1.11223 hours remaining, 209.710938 MB of memory in use. ENERGY: 3673600 733.5219 2029.8449 1941.8586 118.3661 -206107.0781 17698.3609 0.0000 0.0000 34151.7776 -149433.3483 298.2560 -183585.1258 -149334.8039 299.0029 -48.2710 -13.0886 556189.7846 11.7342 11.6222 PRESSURE: 3673800 -150.59 -68.7067 -122.71 -68.7071 -92.6574 56.2399 -122.711 56.2406 -252.859 GPRESSURE: 3673800 -119.545 -86.0873 -92.3327 -78.7212 -61.0892 32.9564 -230.319 19.8928 -212.998 PRESSAVG: 3673800 -33.3742 -16.9059 -5.28481 -16.906 91.5298 38.9484 -5.28484 38.9484 -25.7984 GPRESSAVG: 3673800 -33.6802 -13.1285 -3.8565 -16.8919 91.558 40.6641 -6.52101 38.6388 -25.8395 TIMING: 3673800 CPU: 11054, 0.00300865/step Wall: 11054, 0.00300865/step, 1.10835 hours remaining, 209.781250 MB of memory in use. ENERGY: 3673800 731.4682 2061.2245 1950.1635 114.9122 -205969.7722 17627.8578 0.0000 0.0000 34044.4585 -149439.6874 297.3187 -183484.1460 -149339.0718 298.2517 -165.3689 -131.2106 558064.6142 10.7857 10.6794 PRESSURE: 3674000 220.303 118.989 84.7083 118.989 172.622 3.41852 84.7086 3.41886 290.066 GPRESSURE: 3674000 230.936 111.213 -30.257 97.3101 261.995 -44.755 139.766 33.8463 289.765 PRESSAVG: 3674000 -1.9883 8.24358 30.1995 8.24362 7.82892 -39.4429 30.1995 -39.4429 -42.1083 GPRESSAVG: 3674000 -1.95099 5.2455 28.2114 10.1501 8.04984 -38.2748 31.1571 -40.0423 -42.7371 TIMING: 3674000 CPU: 11054.6, 0.0029894/step Wall: 11054.6, 0.0029894/step, 1.1011 hours remaining, 209.781250 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: 3674000 755.1076 2061.6857 1941.8546 108.1563 -206822.6772 18148.0104 0.0000 0.0000 34436.3497 -149371.5130 300.7412 -183807.8627 -149283.7145 298.4066 227.6635 260.8986 555305.3013 -12.0892 -12.2127 PRESSURE: 3674200 -20.9548 -21.3409 11.0541 -21.3412 -26.9293 -61.9641 11.0532 -61.9635 -360.53 GPRESSURE: 3674200 75.0075 -0.537959 -30.5911 -76.4663 -54.1313 -93.9892 111.08 1.36861 -332.354 PRESSAVG: 3674200 11.0009 -26.0058 -12.3498 -26.0058 10.0899 -63.6058 -12.3497 -63.6057 -19.1079 GPRESSAVG: 3674200 10.2187 -24.2077 -11.2586 -28.4757 9.50371 -65.4902 -13.6911 -62.8 -17.5767 TIMING: 3674200 CPU: 11055.2, 0.00296487/step Wall: 11055.2, 0.00296487/step, 1.0919 hours remaining, 209.781250 MB of memory in use. ENERGY: 3674200 774.6447 2045.1914 1957.9763 100.9535 -205995.2062 17607.2024 0.0000 0.0000 34004.3096 -149504.9283 296.9681 -183509.2379 -149408.9140 298.3612 -136.1381 -103.8259 556715.5993 0.6610 0.7153 PRESSURE: 3674400 125.367 -112.99 -107.861 -112.988 -64.4609 250.576 -107.862 250.577 112.379 GPRESSURE: 3674400 96.227 -115.033 -92.9914 -175.916 -1.81708 242.435 -83.0217 210.685 176.584 PRESSAVG: 3674400 -3.65804 -47.0583 -13.4606 -47.0583 47.6827 7.1211 -13.4606 7.12108 -42.9037 GPRESSAVG: 3674400 -2.52233 -49.9621 -12.577 -45.5894 47.9888 10.0222 -10.5291 6.72915 -44.5076 TIMING: 3674400 CPU: 11055.8, 0.00293717/step Wall: 11055.8, 0.00293718/step, 1.08153 hours remaining, 209.781250 MB of memory in use. ENERGY: 3674400 729.4935 2127.0589 1950.5561 115.7804 -206386.0867 17905.4447 0.0000 0.0000 34213.9298 -149343.8233 298.7988 -183557.7531 -149247.8687 298.6117 57.7616 90.3312 557132.1948 0.3736 0.3196 PRESSURE: 3674600 78.4142 -127.296 -159.298 -127.296 135.83 -21.7503 -159.299 -21.7501 -6.68765 GPRESSURE: 3674600 148.089 -115.818 -157.032 -184.94 143.967 -127.738 -131.753 -12.0639 13.7801 PRESSAVG: 3674600 -3.30908 -29.8894 -1.49291 -29.8895 -27.4401 9.11833 -1.49288 9.11848 -9.13625 GPRESSAVG: 3674600 -3.71928 -29.1229 -1.09631 -29.4955 -27.2387 7.4532 -3.14189 9.8542 -8.32914 TIMING: 3674600 CPU: 11056.3, 0.00297389/step Wall: 11056.3, 0.00297389/step, 1.09489 hours remaining, 209.781250 MB of memory in use. ENERGY: 3674600 731.0935 2135.9643 1935.5719 128.2386 -205906.4544 17696.8553 0.0000 0.0000 34086.4150 -149192.3159 297.6851 -183278.7308 -149096.2331 299.2768 69.1856 101.9452 557537.2282 -13.2951 -13.0957 PRESSURE: 3674800 91.8522 -80.6579 21.1121 -80.658 -32.5563 107.105 21.1129 107.104 -142.002 GPRESSURE: 3674800 153.054 -84.6608 21.3017 -77.811 -2.70179 52.2272 -7.20316 86.3096 -130.671 PRESSAVG: 3674800 7.77466 -21.1273 -35.2702 -21.1273 34.3666 -27.1481 -35.2702 -27.1481 -41.1065 GPRESSAVG: 3674800 7.75481 -21.9658 -35.5937 -20.1495 34.304 -25.8177 -36.7987 -29.7606 -41.2425 TIMING: 3674800 CPU: 11056.9, 0.00296783/step Wall: 11056.9, 0.00296783/step, 1.09249 hours remaining, 209.781250 MB of memory in use. ENERGY: 3674800 783.3619 2105.5468 1963.7681 122.9010 -205897.9579 17715.9290 0.0000 0.0000 34274.9147 -148931.5363 299.3314 -183206.4510 -148842.4814 299.9419 -27.5687 6.5604 558442.9205 0.3449 0.2721 PRESSURE: 3675000 -231.196 21.2312 21.6008 21.2297 75.7052 -33.6136 21.6006 -33.6131 -247.191 GPRESSURE: 3675000 -208.605 -22.1325 -29.3178 33.8715 65.5297 -29.4085 20.9575 -71.9326 -161.303 PRESSAVG: 3675000 -15.3174 27.4268 10.2448 27.4268 101.147 -34.6135 10.2448 -34.6136 -48.2534 GPRESSAVG: 3675000 -14.4568 29.2727 11.1317 26.6866 100.503 -35.1746 11.2218 -33.8195 -48.1423 TIMING: 3675000 CPU: 11057.5, 0.00296131/step Wall: 11057.5, 0.00296131/step, 1.08993 hours remaining, 209.781250 MB of memory in use. ENERGY: 3675000 750.5972 2103.2567 1949.7739 116.2443 -205978.9125 17571.3266 0.0000 0.0000 34404.5341 -149083.1797 300.4634 -183487.7137 -148988.6218 299.7278 -134.2270 -101.4595 557421.4651 12.5255 12.6346 PRESSURE: 3675200 -46.3046 83.1844 4.77254 83.1832 -63.2966 14.3036 4.77009 14.3034 -101.761 GPRESSURE: 3675200 -33.1239 -1.73544 -13.262 103.321 57.6412 10.669 -18.847 108.35 -129.428 PRESSAVG: 3675200 -7.86251 5.78141 7.99588 5.78133 -21.6545 -29.5703 7.99579 -29.5704 57.6753 GPRESSAVG: 3675200 -8.57474 4.53394 5.3303 4.27076 -21.1028 -33.5221 10.2507 -26.0003 57.6552 TIMING: 3675200 CPU: 11058.1, 0.0029674/step Wall: 11058.1, 0.0029674/step, 1.092 hours remaining, 209.781250 MB of memory in use. ENERGY: 3675200 777.3457 2082.5275 1932.7639 120.3550 -205757.8044 17726.5174 0.0000 0.0000 34050.6885 -149067.6063 297.3731 -183118.2948 -148969.4378 299.2446 -70.4541 -34.9702 557900.8232 9.3861 9.3259 PRESSURE: 3675400 129.853 1.80978 -32.4327 1.80956 -0.858919 36.2403 -32.4332 36.2394 104.234 GPRESSURE: 3675400 210.548 10.0245 -6.04187 10.2007 7.19601 -28.2738 2.86706 68.0877 116.577 PRESSAVG: 3675400 -75.8778 13.5865 54.7148 13.5864 8.01023 26.5838 54.7147 26.5838 32.7679 GPRESSAVG: 3675400 -76.0878 11.5102 57.3321 15.0278 6.98637 29.0179 51.6875 24.436 33.0131 TIMING: 3675400 CPU: 11058.7, 0.00294472/step Wall: 11058.7, 0.00294472/step, 1.08349 hours remaining, 209.781250 MB of memory in use. ENERGY: 3675400 751.0283 2136.7229 1927.7155 118.9225 -206231.6186 17835.3605 0.0000 0.0000 34657.5551 -148804.3139 302.6730 -183461.8690 -148707.4230 299.5046 77.7427 111.4405 557336.3779 -11.6999 -12.0294 PRESSURE: 3675600 314.763 179.924 122.485 179.925 260.69 -125.647 122.484 -125.647 176.772 GPRESSURE: 3675600 321.584 104.327 129.997 188.601 283.941 -98.5413 141.01 -72.3132 240.051 PRESSAVG: 3675600 8.04761 27.7236 6.98952 27.7236 -7.213 -10.6382 6.98956 -10.6382 3.40234 GPRESSAVG: 3675600 8.98868 29.8321 4.89213 24.7496 -7.64014 -12.34 9.79526 -9.66161 2.47021 TIMING: 3675600 CPU: 11059.3, 0.00297185/step Wall: 11059.3, 0.00297185/step, 1.09331 hours remaining, 209.781250 MB of memory in use. ENERGY: 3675600 712.2848 2113.1091 1952.2585 110.1997 -206394.1755 18135.5874 0.0000 0.0000 34337.2793 -149033.4565 299.8760 -183370.7359 -148938.5912 299.9220 250.7418 281.8586 556087.2195 1.4123 1.2729 PRESSURE: 3675800 -330.458 58.8779 26.6551 58.8779 141.83 87.785 26.6547 87.7837 148.87 GPRESSURE: 3675800 -263.178 -38.9558 -35.9155 51.1904 146.27 68.6161 44.465 131.571 182.179 PRESSAVG: 3675800 -79.4818 40.272 36.4234 40.272 62.7428 -24.9257 36.4233 -24.9257 34.0663 GPRESSAVG: 3675800 -79.3297 38.1128 34.6359 41.5004 63.2861 -22.9881 36.2899 -25.2945 32.8507 TIMING: 3675800 CPU: 11059.9, 0.00295456/step Wall: 11059.9, 0.00295456/step, 1.08679 hours remaining, 209.781250 MB of memory in use. ENERGY: 3675800 742.8244 2094.4795 1938.0218 100.4669 -206131.7731 17729.6402 0.0000 0.0000 34456.9794 -149069.3609 300.9214 -183526.3403 -148976.1763 300.1101 -13.2525 21.7573 557262.3936 5.7758 5.6024 PRESSURE: 3676000 -320.568 -79.7921 -35.231 -79.7919 -165.807 78.4952 -35.2318 78.4966 -55.4108 GPRESSURE: 3676000 -288.223 -54.8541 -41.1343 -50.1597 -120.943 43.4452 -49.8897 131.238 -21.1307 PRESSAVG: 3676000 -59.0219 17.3729 0.201892 17.3729 52.2196 76.3741 0.201863 76.3741 -17.3259 GPRESSAVG: 3676000 -59.8073 20.6317 0.374994 16.177 52.3867 76.1433 0.576986 76.6364 -16.54 TIMING: 3676000 CPU: 11060.5, 0.00297753/step Wall: 11060.5, 0.00297753/step, 1.09507 hours remaining, 209.781250 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: 3676000 762.7026 2107.9336 1931.2964 130.8920 -206011.6382 17476.5898 0.0000 0.0000 34320.9306 -149281.2933 299.7332 -183602.2239 -149183.3349 299.6717 -180.5954 -143.4321 557339.4677 -8.0427 -7.9869 PRESSURE: 3676200 -91.0719 89.902 -130.605 89.9022 -73.1227 -31.2032 -130.606 -31.203 -191.282 GPRESSURE: 3676200 -33.7949 70.9983 -95.6478 70.1729 -57.1469 2.09033 -141.761 -37.277 -158.875 PRESSAVG: 3676200 8.69453 31.3225 -15.1145 31.3225 -0.451588 27.7083 -15.1146 27.7083 -8.5968 GPRESSAVG: 3676200 8.99694 30.6929 -13.8475 32.3881 -1.26912 27.0519 -16.3501 25.5633 -7.87859 TIMING: 3676200 CPU: 11061.1, 0.0030188/step Wall: 11061.1, 0.0030188/step, 1.11008 hours remaining, 209.781250 MB of memory in use. ENERGY: 3676200 745.1290 2175.9873 1902.2079 98.9432 -206210.8009 17816.2769 0.0000 0.0000 34457.6896 -149014.5671 300.9276 -183472.2567 -148920.1919 300.1033 -118.4922 -83.2724 558463.7080 -0.1180 -0.0503 LDB: ============= START OF LOAD BALANCING ============== 11064.6 LDB: ============== END OF LOAD BALANCING =============== 11064.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11064.6 LDB: ============= START OF LOAD BALANCING ============== 11064.9 LDB: Largest compute 4802 load 0.029315 is 24.8% of average load 0.118216 LDB: Average compute 0.001718 is 1.5% of average load 0.118216 LDB: TIME 11064.9 LOAD: AVG 0.118216 MAX 0.210634 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 11064.9 LOAD: AVG 0.118216 MAX 0.210634 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: TIME 11064.9 LOAD: AVG 0.118216 MAX 0.210634 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11064.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11064.9 PRESSURE: 3676400 145.649 93.458 91.1814 93.4592 -343.403 39.4377 91.1809 39.4363 12.0146 GPRESSURE: 3676400 168.913 115.259 153.327 -21.7374 -294.254 -0.708022 101.84 -12.0051 29.0535 PRESSAVG: 3676400 -16.8137 -5.82551 5.72477 -5.82552 -21.6274 -4.27497 5.7248 -4.27514 -2.64566 GPRESSAVG: 3676400 -16.8622 -6.13013 6.24173 -6.67299 -20.2815 -4.87937 4.92369 -3.95225 -4.28246 TIMING: 3676400 CPU: 11061.7, 0.00302829/step Wall: 11061.7, 0.00302829/step, 1.1134 hours remaining, 209.933594 MB of memory in use. ENERGY: 3676400 735.0716 2108.7114 1922.2492 108.7098 -205590.7077 17613.6190 0.0000 0.0000 34197.3488 -148904.9979 298.6540 -183102.3467 -148808.6727 300.3000 -61.9132 -32.0960 557816.2695 -13.6956 -13.8087 PRESSURE: 3676600 -44.5023 127.4 162.859 127.4 181.478 38.7124 162.859 38.7121 154.714 GPRESSURE: 3676600 21.255 54.7275 45.3733 150.583 163.829 96.3584 255.788 -36.8779 213.862 PRESSAVG: 3676600 -1.19304 -34.6951 39.0888 -34.6951 -6.71905 11.5843 39.0889 11.5843 4.53242 GPRESSAVG: 3676600 -0.711539 -35.3681 38.4602 -34.67 -6.48697 11.9035 40.756 12.5864 3.84945 TIMING: 3676600 CPU: 11062.3, 0.00300736/step Wall: 11062.3, 0.00300736/step, 1.10554 hours remaining, 210.191406 MB of memory in use. ENERGY: 3676600 762.8108 2087.1478 1938.7261 98.6813 -206361.1600 18178.8028 0.0000 0.0000 34299.1380 -148995.8531 299.5429 -183294.9911 -148896.5538 300.1712 97.2298 132.9819 558166.0134 -1.1266 -1.1164 PRESSURE: 3676800 182.3 145.548 -123.798 145.547 55.3541 -177.622 -123.799 -177.621 118.296 GPRESSURE: 3676800 181.755 101.607 -90.7275 137.748 152.341 -140.682 -159.688 -168.194 114.029 PRESSAVG: 3676800 47.339 -6.00888 -24.4009 -6.00888 41.5595 32.1481 -24.4009 32.148 -64.5512 GPRESSAVG: 3676800 46.1431 -6.49379 -23.9033 -5.48966 40.8831 33.6648 -25.2224 33.0112 -62.9035 TIMING: 3676800 CPU: 11062.9, 0.00297855/step Wall: 11062.9, 0.00297855/step, 1.09478 hours remaining, 210.191406 MB of memory in use. ENERGY: 3676800 730.2605 2047.9569 1940.9498 118.3150 -206623.4436 18134.0868 0.0000 0.0000 34574.3204 -149077.5541 301.9461 -183651.8745 -148984.7148 299.6845 118.6500 149.3750 558154.6226 8.1158 8.0409 PRESSURE: 3677000 83.5149 91.4692 -39.3485 91.4705 -167.267 -56.9748 -39.3473 -56.9751 -171.638 GPRESSURE: 3677000 83.8762 121.623 -67.6624 41.0075 -127.785 -62.8109 -4.86167 -80.2275 -102.952 PRESSAVG: 3677000 67.6266 50.4962 -71.8698 50.4963 -9.88812 -34.7405 -71.8698 -34.7406 -83.2168 GPRESSAVG: 3677000 67.43 48.5519 -71.244 51.3313 -9.70687 -34.0544 -72.5859 -35.8983 -82.6402 TIMING: 3677000 CPU: 11063.5, 0.00300055/step Wall: 11063.5, 0.00300055/step, 1.1027 hours remaining, 210.191406 MB of memory in use. ENERGY: 3677000 800.2879 2039.1257 1930.8798 120.0737 -206037.0857 17632.5476 0.0000 0.0000 34377.2804 -149136.8907 300.2253 -183514.1710 -149036.1613 300.0891 -85.1301 -48.9537 558058.1862 -8.4928 -8.3057 PRESSURE: 3677200 10.2449 41.0132 -98.5901 41.013 -113.327 18.5066 -98.5898 18.5067 -100.645 GPRESSURE: 3677200 102.362 116.614 -112.582 -0.726158 -76.7931 40.6894 -26.9439 86.3404 -140.535 PRESSAVG: 3677200 -11.6626 35.3785 -19.6829 35.3786 55.1653 27.8695 -19.6828 27.8696 -25.9745 GPRESSAVG: 3677200 -9.36321 38.7451 -18.627 32.2741 54.0597 29.6845 -18.1273 26.2168 -26.3236 TIMING: 3677200 CPU: 11064.1, 0.00298463/step Wall: 11064.1, 0.00298463/step, 1.09669 hours remaining, 210.191406 MB of memory in use. ENERGY: 3677200 760.9345 2121.6215 1919.7927 109.3713 -205911.2059 17609.7880 0.0000 0.0000 34330.2948 -149059.4032 299.8150 -183389.6980 -148965.0957 300.3595 -67.9091 -38.3220 558198.8600 5.8427 6.1243 PRESSURE: 3677400 38.2074 128.986 204.274 128.986 -28.0987 15.2809 204.273 15.279 -148.632 GPRESSURE: 3677400 32.3693 91.4319 176.119 164.981 8.81951 -4.3467 201.203 89.1158 -94.7327 PRESSAVG: 3677400 7.22385 -2.43738 2.48393 -2.43736 22.6266 -46.1961 2.48375 -46.196 -53.7191 GPRESSAVG: 3677400 5.50426 -3.32915 -0.121687 -0.564828 23.7656 -47.2365 2.87253 -44.9132 -54.0232 TIMING: 3677400 CPU: 11064.7, 0.00296628/step Wall: 11064.7, 0.00296628/step, 1.08978 hours remaining, 210.191406 MB of memory in use. ENERGY: 3677400 727.7960 2080.9431 1928.9525 111.3547 -205963.6674 17711.9410 0.0000 0.0000 34126.9153 -149275.7648 298.0388 -183402.6802 -149180.3126 299.0830 -46.1744 -17.8480 557856.5293 -7.9562 -8.2511 PRESSURE: 3677600 -114.307 98.3334 -146.982 98.3346 356.332 108 -146.981 108 -29.5666 GPRESSURE: 3677600 -36.4488 53.7499 -156.312 35.2512 363.445 124.309 -118.437 105.489 -14.1721 PRESSAVG: 3677600 2.81838 59.5143 -17.2139 59.5144 11.5905 -20.7108 -17.2139 -20.7107 7.74353 GPRESSAVG: 3677600 3.07299 59.2924 -15.7086 58.9912 12.3426 -22.8003 -18.3959 -19.7174 7.05343 TIMING: 3677600 CPU: 11065.3, 0.0029786/step Wall: 11065.3, 0.0029786/step, 1.09414 hours remaining, 210.191406 MB of memory in use. ENERGY: 3677600 710.5619 2083.7746 1924.7559 116.1177 -206028.9012 17785.0187 0.0000 0.0000 34265.2754 -149143.3971 299.2472 -183408.6724 -149048.0639 298.9657 70.8197 104.2747 557660.6221 7.3842 7.4897 PRESSURE: 3677800 -405.76 -137.324 -106.352 -137.325 -416.88 -148.519 -106.352 -148.519 -395.928 GPRESSURE: 3677800 -382.339 -151.139 -54.5794 -194.122 -377.396 -117.38 -62.783 -175.129 -376.508 PRESSAVG: 3677800 -68.7883 1.60078 -22.9529 1.60067 61.9679 -27.2418 -22.9528 -27.2418 -1.03578 GPRESSAVG: 3677800 -69.4031 1.70881 -23.1209 1.1577 61.1836 -25.8891 -23.2791 -29.1098 0.156848 TIMING: 3677800 CPU: 11065.9, 0.00295906/step Wall: 11065.9, 0.00295906/step, 1.0868 hours remaining, 210.191406 MB of memory in use. ENERGY: 3677800 812.3527 2058.6352 1926.3036 110.1967 -205583.7145 17296.0603 0.0000 0.0000 34118.9170 -149261.2490 297.9690 -183380.1660 -149161.8770 299.5099 -406.1892 -378.7478 559390.1919 -2.6187 -2.6875 PRESSURE: 3678000 338.845 71.1821 -260.255 71.1822 -236.796 -143.917 -260.255 -143.915 202.751 GPRESSURE: 3678000 341.775 117.527 -293.281 16.0374 -150.18 -223.093 -223.209 -87.1018 215.678 PRESSAVG: 3678000 -22.2916 -16.9547 14.3241 -16.9547 55.1441 -7.25515 14.3241 -7.25522 6.3675 GPRESSAVG: 3678000 -22.5818 -18.1023 15.0947 -15.947 55.7646 -7.50776 14.261 -6.2388 5.66744 TIMING: 3678000 CPU: 11066.5, 0.00295724/step Wall: 11066.5, 0.00295724/step, 1.08596 hours remaining, 210.191406 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: 3678000 733.7267 2082.3874 1959.0578 137.2714 -206376.8650 18016.9208 0.0000 0.0000 34209.3004 -149238.2006 298.7583 -183447.5010 -149139.7605 299.8171 101.5998 135.7578 557358.3950 13.0733 12.9501 PRESSURE: 3678200 -137.717 -87.7349 -57.649 -87.7348 387.629 -141.288 -57.6489 -141.288 31.735 GPRESSURE: 3678200 -101.931 -40.1577 -27.025 -156.809 440.001 -104.246 -6.49796 -172.871 39.361 PRESSAVG: 3678200 18.6125 -0.956376 25.06 -0.956275 -9.89622 -29.0354 25.06 -29.0354 7.8049 GPRESSAVG: 3678200 19.0329 -0.657706 23.4354 -1.5733 -11.1108 -28.3538 23.9579 -28.8994 8.08121 TIMING: 3678200 CPU: 11067.1, 0.00297895/step Wall: 11067.1, 0.00297895/step, 1.09377 hours remaining, 210.191406 MB of memory in use. ENERGY: 3678200 738.3543 2120.5633 1943.6463 118.1634 -206203.2777 17893.9994 0.0000 0.0000 34257.3837 -149131.1672 299.1783 -183388.5510 -149038.8465 299.6208 93.8821 125.8105 556662.2170 5.5071 5.3344 PRESSURE: 3678400 -363.011 -167.586 -101.711 -167.587 -247.771 -68.4995 -101.712 -68.5005 -31.1139 GPRESSURE: 3678400 -264.854 -108.651 -139.696 -192.125 -213.43 25.3156 -121.438 -43.5578 -63.409 PRESSAVG: 3678400 11.1247 -29.4264 18.9333 -29.4263 30.0798 -19.1211 18.9333 -19.1211 42.6196 GPRESSAVG: 3678400 11.5664 -28.903 20.3612 -31.2317 29.2386 -20.8553 19.9357 -19.2272 42.9862 TIMING: 3678400 CPU: 11067.7, 0.00298043/step Wall: 11067.7, 0.00298043/step, 1.09415 hours remaining, 210.191406 MB of memory in use. ENERGY: 3678400 785.8768 2144.3582 1940.8193 108.5098 -205870.6313 17534.0870 0.0000 0.0000 34270.0922 -149086.8880 299.2892 -183356.9802 -148987.4864 299.8864 -213.9654 -180.5641 557917.9581 27.9414 27.9304 PRESSURE: 3678600 170.384 -12.2701 -152.575 -12.2693 -21.9668 -116.014 -152.575 -116.014 -226.81 GPRESSURE: 3678600 235.459 6.31924 -160.8 0.647531 -34.8421 -88.9485 -61.639 -127.357 -190.109 PRESSAVG: 3678600 35.9622 -55.1579 -42.9166 -55.1579 -10.8092 6.35933 -42.9165 6.35918 -43.1906 GPRESSAVG: 3678600 36.3861 -56.0874 -44.9717 -55.3358 -10.5125 6.72543 -43.4569 7.71728 -43.4423 TIMING: 3678600 CPU: 11068.3, 0.00298281/step Wall: 11068.3, 0.00298281/step, 1.09486 hours remaining, 210.191406 MB of memory in use. ENERGY: 3678600 756.8409 2075.9314 1940.8796 107.3725 -206088.4845 17755.0535 0.0000 0.0000 34292.2035 -149160.2032 299.4823 -183452.4067 -149060.9873 299.9457 -26.1310 3.5026 557817.8730 -6.0125 -5.8562 PRESSURE: 3678800 192.953 -33.4176 -37.7491 -33.4178 -198.696 -29.555 -37.7488 -29.555 -199.847 GPRESSURE: 3678800 170.965 -6.65307 43.8702 84.5731 -187.621 -119.185 -2.56529 -52.214 -109.913 PRESSAVG: 3678800 76.5238 -1.15291 -16.9933 -1.15286 -13.2506 -20.8092 -16.9932 -20.8092 -77.2732 GPRESSAVG: 3678800 75.5111 -0.579872 -16.6994 -0.399553 -12.826 -20.2788 -15.5636 -21.6951 -76.0584 TIMING: 3678800 CPU: 11068.9, 0.00296818/step Wall: 11068.9, 0.00296818/step, 1.08932 hours remaining, 210.191406 MB of memory in use. ENERGY: 3678800 747.2191 2111.0014 1938.8872 104.4248 -206172.9102 17654.4899 0.0000 0.0000 34483.4049 -149133.4829 301.1522 -183616.8878 -149041.9067 299.8991 -68.5301 -42.1896 556316.8502 -4.6667 -4.4578 PRESSURE: 3679000 -58.1734 -82.9935 -100.525 -82.993 -25.0457 -84.1115 -100.526 -84.1125 117.074 GPRESSURE: 3679000 -33.8842 -43.1455 -142.687 -152.454 35.3764 -68.5592 -33.6162 -94.4735 132.818 PRESSAVG: 3679000 70.9637 26.953 -23.313 26.9529 -43.6786 7.27885 -23.313 7.27879 -25.5923 GPRESSAVG: 3679000 72.6017 25.2265 -23.763 28.8992 -44.229 5.39105 -24.0962 6.74228 -26.9812 TIMING: 3679000 CPU: 11069.4, 0.00295421/step Wall: 11069.4, 0.00295421/step, 1.08403 hours remaining, 210.191406 MB of memory in use. ENERGY: 3679000 749.5589 2073.1914 1965.6201 102.3731 -206232.8586 17752.7166 0.0000 0.0000 34436.6834 -149152.7151 300.7441 -183589.3985 -149055.8584 300.1610 11.2850 44.7700 555567.6719 0.5643 0.4639 PRESSURE: 3679200 48.0011 69.4671 -97.5838 69.4666 16.1247 -83.6463 -97.5838 -83.6472 169.869 GPRESSURE: 3679200 100.264 46.8193 -231.246 103.149 35.6134 -152.97 -42.9414 -70.7531 185.778 PRESSAVG: 3679200 -6.69663 40.9257 16.485 40.9257 30.534 -109.163 16.485 -109.162 -17.7033 GPRESSAVG: 3679200 -7.35042 41.6193 17.6918 39.9475 30.6921 -106.995 15.0244 -106.673 -17.44 TIMING: 3679200 CPU: 11070, 0.00299351/step Wall: 11070, 0.00299351/step, 1.09828 hours remaining, 210.191406 MB of memory in use. ENERGY: 3679200 738.5622 2055.4570 1942.3464 120.2077 -206253.9130 17885.2688 0.0000 0.0000 34404.2190 -149107.8519 300.4606 -183512.0709 -149011.0477 299.6749 77.9983 107.2186 556767.6430 2.0447 1.9672 PRESSURE: 3679400 47.9737 174.685 199.88 174.687 349.218 18.2416 199.88 18.2411 145.501 GPRESSURE: 3679400 136.545 150.305 199.105 146.511 416.25 62.6561 123.253 -1.34027 103.663 PRESSAVG: 3679400 -8.30547 58.2772 -14.8386 58.2773 16.0914 -28.9564 -14.8386 -28.9564 -21.7053 GPRESSAVG: 3679400 -8.37678 58.6292 -15.1416 56.5825 16.4198 -28.8507 -14.095 -31.3521 -21.6231 TIMING: 3679400 CPU: 11070.6, 0.00299584/step Wall: 11070.6, 0.00299584/step, 1.09897 hours remaining, 210.191406 MB of memory in use. ENERGY: 3679400 694.4083 2105.0884 1911.8904 108.7018 -206370.9987 18005.2320 0.0000 0.0000 34457.6428 -149088.0349 300.9272 -183545.6777 -148994.2200 300.0436 180.8977 218.8193 555782.1095 -4.6398 -4.5267 PRESSURE: 3679600 -251.899 -19.3028 -312.212 -19.3034 7.1764 -213.769 -312.213 -213.769 -11.7107 GPRESSURE: 3679600 -148.508 61.0472 -283.63 31.8394 -44.0049 -194.273 -283.074 -225.811 33.3158 PRESSAVG: 3679600 61.5575 -4.00698 -23.7636 -4.007 11.2747 12.0116 -23.7636 12.0118 -96.3482 GPRESSAVG: 3679600 61.3101 -2.78924 -23.6781 -4.06085 11.1802 11.9927 -24.3468 12.2575 -96.12 TIMING: 3679600 CPU: 11071.2, 0.00296797/step Wall: 11071.2, 0.00296797/step, 1.08859 hours remaining, 210.191406 MB of memory in use. ENERGY: 3679600 733.9104 2148.2799 1931.0971 96.8991 -205997.6167 17572.0824 0.0000 0.0000 34358.4164 -149156.9312 300.0606 -183515.3477 -149059.7754 300.0406 -85.4778 -53.0656 556730.0833 -7.8387 -7.8766 PRESSURE: 3679800 -247.397 295.192 -53.1672 295.193 -94.8232 165.364 -53.1666 165.364 -423.265 GPRESSURE: 3679800 -282.755 244.047 -115.01 269.8 -18.4549 141.727 -35.986 183.99 -362.273 PRESSAVG: 3679800 34.92 20.8349 -12.7839 20.8349 11.178 -61.8673 -12.7839 -61.8673 -38.1689 GPRESSAVG: 3679800 34.49 20.4945 -11.8444 20.2386 11.3293 -61.4298 -11.8471 -62.5909 -37.9851 TIMING: 3679800 CPU: 11071.8, 0.0029849/step Wall: 11071.8, 0.0029849/step, 1.09463 hours remaining, 210.453125 MB of memory in use. ENERGY: 3679800 788.1486 2049.2286 1932.7266 101.9309 -205674.7826 17394.7589 0.0000 0.0000 34312.6980 -149095.2910 299.6613 -183407.9890 -148993.6239 300.0673 -255.1618 -221.1609 556335.6496 2.6431 2.6114 PRESSURE: 3680000 -73.3564 47.643 -80.4328 47.6432 85.5084 -116.438 -80.4325 -116.436 119.573 GPRESSURE: 3680000 -85.5226 15.0277 -118.799 52.9856 179.598 -83.2317 -108.344 -45.4123 138.58 PRESSAVG: 3680000 25.5422 15.8476 8.73921 15.8476 16.6894 7.79877 8.73918 7.79874 -4.10249 GPRESSAVG: 3680000 26.6312 14.0742 10.0654 17.9269 16.9848 6.40643 7.70929 8.92641 -5.06945 TIMING: 3680000 CPU: 11072.4, 0.00300725/step Wall: 11072.4, 0.00300725/step, 1.10266 hours remaining, 210.453125 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: 3680000 735.7111 2073.7835 1959.9285 111.1519 -206338.6652 17879.3478 0.0000 0.0000 34366.4193 -149212.3231 300.1305 -183578.7424 -149107.7536 299.7911 43.9084 77.5519 557313.2731 12.7097 12.8488 PRESSURE: 3680200 219.85 75.4568 40.0632 75.457 -153.223 -58.3975 40.0633 -58.398 -59.7314 GPRESSURE: 3680200 265.144 162.566 70.51 23.1378 -139.716 29.2602 19.7544 -72.9055 -20.8321 PRESSAVG: 3680200 -16.4551 34.2599 -23.0615 34.2599 -24.6318 -3.58386 -23.0615 -3.58372 37.8507 GPRESSAVG: 3680200 -16.7627 36.7021 -26.5114 32.6782 -24.5626 -4.38683 -20.7375 -3.71357 37.9081 TIMING: 3680200 CPU: 11073, 0.00300553/step Wall: 11073, 0.00300553/step, 1.10186 hours remaining, 210.453125 MB of memory in use. ENERGY: 3680200 746.8829 2098.6822 1952.0903 112.3088 -206554.8178 18003.1448 0.0000 0.0000 34345.8962 -149295.8125 299.9513 -183641.7088 -149202.4831 299.0282 2.2986 34.8654 557715.0314 -1.0788 -1.1390 LDB: ============= START OF LOAD BALANCING ============== 11076.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11076.6 LDB: =============== DONE WITH MIGRATION ================ 11076.6 LDB: ============= START OF LOAD BALANCING ============== 11076.9 LDB: Largest compute 4802 load 0.030600 is 25.9% of average load 0.118141 LDB: Average compute 0.001719 is 1.5% of average load 0.118141 LDB: TIME 11076.9 LOAD: AVG 0.118141 MAX 0.210914 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 11076.9 LOAD: AVG 0.118141 MAX 0.210914 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.27 MB LDB: TIME 11076.9 LOAD: AVG 0.118141 MAX 0.210914 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.27 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11076.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11076.9 PRESSURE: 3680400 -40.2649 -103.718 -2.54051 -103.719 -148.29 -214.763 -2.54159 -214.763 -240.559 GPRESSURE: 3680400 -37.3075 -79.5816 -89.7492 -89.6086 -87.3202 -256.71 -23.2047 -177.482 -206.57 PRESSAVG: 3680400 23.2095 21.5658 8.83361 21.5659 -5.36766 22.4089 8.83371 22.4088 -29.5592 GPRESSAVG: 3680400 21.8768 21.3297 9.75734 21.857 -4.94298 24.4359 7.59438 21.1555 -28.952 TIMING: 3680400 CPU: 11073.6, 0.00306397/step Wall: 11073.6, 0.00306397/step, 1.12311 hours remaining, 209.578125 MB of memory in use. ENERGY: 3680400 718.6539 2032.1570 1975.7146 120.0458 -206136.8038 17707.8886 0.0000 0.0000 34322.0436 -149260.3002 299.7429 -183582.3438 -149167.0469 299.1802 -143.0381 -110.3992 557818.6255 -3.9058 -4.0061 PRESSURE: 3680600 -132.798 42.4674 -5.94528 42.4682 25.3153 -211.141 -5.94635 -211.14 105.997 GPRESSURE: 3680600 -63.5732 39.1766 -99.1422 114.495 95.8519 -191.056 30.3671 -190.974 65.0236 PRESSAVG: 3680600 15.6035 20.5405 -45.9445 20.5405 34.5506 -40.735 -45.9445 -40.7349 -40.649 GPRESSAVG: 3680600 17.2368 18.9677 -45.272 21.3242 33.2192 -42.6018 -48.7312 -40.7108 -40.4903 TIMING: 3680600 CPU: 11074.2, 0.00298672/step Wall: 11074.2, 0.00298672/step, 1.09463 hours remaining, 209.578125 MB of memory in use. ENERGY: 3680600 726.3801 2096.7182 1947.9059 118.9273 -206621.6589 18012.9730 0.0000 0.0000 34329.6475 -149389.1069 299.8093 -183718.7544 -149288.0146 299.1000 -0.4953 32.4341 558214.8147 3.1684 3.3219 PRESSURE: 3680800 38.6858 -14.9385 -48.0823 -14.9392 -77.4959 -120.227 -48.0812 -120.227 -133.72 GPRESSURE: 3680800 67.6754 7.56212 -38.2995 -97.5323 -45.1316 -110.752 -14.06 -176.75 -95.9142 PRESSAVG: 3680800 0.0120798 -14.2797 -43.7204 -14.2797 70.5421 -29.3308 -43.7205 -29.3308 -33.2525 GPRESSAVG: 3680800 -0.0927682 -13.4976 -43.5207 -15.0889 71.4294 -26.2419 -40.2795 -26.9357 -33.7407 TIMING: 3680800 CPU: 11074.8, 0.00298754/step Wall: 11074.8, 0.00298754/step, 1.09477 hours remaining, 209.578125 MB of memory in use. ENERGY: 3680800 743.6051 2096.2738 1915.7682 108.1586 -206654.4226 17975.3553 0.0000 0.0000 34553.2539 -149262.0077 301.7622 -183815.2615 -149163.5906 300.2393 -57.5101 -24.4568 559666.9293 12.4339 12.5320 PRESSURE: 3681000 -203.877 -72.0993 -96.3385 -72.1003 44.3806 -27.6376 -96.3393 -27.6353 -139.195 GPRESSURE: 3681000 -162.753 -31.9864 -63.8586 -35.2924 47.4435 -58.3044 -96.4034 13.3079 -71.6002 PRESSAVG: 3681000 15.0527 -60.575 20.671 -60.575 48.914 19.6519 20.6709 19.652 -47.6609 GPRESSAVG: 3681000 15.1286 -59.4462 20.0939 -59.9116 48.2595 18.0512 17.2568 17.2239 -47.4414 TIMING: 3681000 CPU: 11075.4, 0.00299402/step Wall: 11075.4, 0.00299402/step, 1.09698 hours remaining, 209.636719 MB of memory in use. ENERGY: 3681000 731.0691 2103.1158 1953.6281 102.6327 -206351.6786 17831.4224 0.0000 0.0000 34386.8379 -149242.9725 300.3088 -183629.8103 -149137.9161 299.3469 -99.5638 -62.3032 558566.8840 5.4353 5.3156 PRESSURE: 3681200 -225.146 -60.399 -69.6604 -60.3986 -113.342 109.424 -69.6606 109.423 -247.239 GPRESSURE: 3681200 -148.44 -43.4077 -120.453 -26.7534 -90.3941 102.394 -65.9685 34.03 -259.522 PRESSAVG: 3681200 27.7451 17.565 -82.2851 17.565 65.4288 8.31268 -82.2851 8.31251 -56.2185 GPRESSAVG: 3681200 27.428 17.5008 -83.1493 20.1736 66.8214 8.28869 -80.2316 11.0822 -57.1144 TIMING: 3681200 CPU: 11076, 0.0029767/step Wall: 11076, 0.0029767/step, 1.09046 hours remaining, 209.636719 MB of memory in use. ENERGY: 3681200 742.0121 2105.0665 1923.0139 100.4111 -205726.3477 17450.7087 0.0000 0.0000 34182.3969 -149222.7385 298.5234 -183405.1354 -149127.7028 299.3461 -195.2422 -166.1188 560112.0812 12.3185 12.3784 PRESSURE: 3681400 88.0602 68.5109 31.863 68.5108 12.6932 -75.0808 31.8634 -75.082 -36.5427 GPRESSURE: 3681400 126.427 -53.4192 -26.831 148.497 100.394 -40.7958 19.6654 -42.0003 -67.5503 PRESSAVG: 3681400 5.22036 26.0037 -35.6102 26.0037 -26.0946 -34.8996 -35.6102 -34.8996 0.675874 GPRESSAVG: 3681400 4.85362 26.2204 -35.3128 22.6025 -26.7378 -35.4661 -37.0825 -34.621 1.54098 TIMING: 3681400 CPU: 11076.6, 0.00298234/step Wall: 11076.6, 0.00298234/step, 1.09236 hours remaining, 209.636719 MB of memory in use. ENERGY: 3681400 779.7721 2111.9703 1951.0381 116.1916 -206563.5164 18061.6910 0.0000 0.0000 34446.1528 -149096.7005 300.8268 -183542.8533 -149006.3427 298.8956 21.4036 53.0902 558116.3466 -6.7328 -6.7811 PRESSURE: 3681600 -231.821 -118.372 30.1603 -118.372 62.9388 127.21 30.1611 127.212 -14.755 GPRESSURE: 3681600 -213.939 -89.777 67.9289 -114.619 68.5705 117.297 28.518 118.077 49.79 PRESSAVG: 3681600 -48.38 -35.586 -33.8993 -35.5859 -3.67971 -15.6084 -33.8993 -15.6085 60.4522 GPRESSAVG: 3681600 -49.2907 -36.076 -33.0452 -36.0098 -3.8771 -15.2744 -32.6506 -15.876 61.4297 TIMING: 3681600 CPU: 11077.2, 0.00303817/step Wall: 11077.2, 0.00303817/step, 1.11265 hours remaining, 209.636719 MB of memory in use. ENERGY: 3681600 733.2065 2119.6180 1934.0380 120.1452 -206081.3878 17680.7257 0.0000 0.0000 34413.4571 -149080.1974 300.5413 -183493.6544 -148986.1904 299.5268 -61.2125 -31.8595 558783.2727 2.7975 2.7540 PRESSURE: 3681800 -153.978 -35.1531 -14.3245 -35.1522 102.237 -56.8973 -14.324 -56.898 -234.34 GPRESSURE: 3681800 -161.045 -45.663 30.4778 3.9381 160.462 -181.212 34.3978 43.8644 -184.686 PRESSAVG: 3681800 -33.5555 -63.4161 -1.03523 -63.4161 68.2751 30.5707 -1.03513 30.5708 -10.0177 GPRESSAVG: 3681800 -33.1927 -64.4837 -0.41136 -60.7937 67.4802 29.6076 -1.5509 32.0775 -10.0158 TIMING: 3681800 CPU: 11077.8, 0.00304613/step Wall: 11077.8, 0.00304613/step, 1.11539 hours remaining, 209.636719 MB of memory in use. ENERGY: 3681800 752.5047 2078.5372 1954.0450 111.9525 -205957.7267 17648.3738 0.0000 0.0000 34245.7955 -149166.5179 299.0771 -183412.3135 -149071.5157 299.3728 -95.3603 -61.7562 558140.5020 8.2340 8.0906 PRESSURE: 3682000 111.851 -62.9486 73.0921 -62.9476 114.382 78.1474 73.0927 78.1499 -350.612 GPRESSURE: 3682000 165.583 -15.3709 65.0851 -11.0571 166.095 7.43325 18.4646 21.4717 -361.06 PRESSAVG: 3682000 9.51969 0.369956 68.5774 0.370041 34.5524 25.1686 68.5776 25.1687 -58.8859 GPRESSAVG: 3682000 10.1674 0.7731 67.0897 -1.03324 34.966 27.1339 68.9808 22.1747 -59.5229 TIMING: 3682000 CPU: 11078.4, 0.00298373/step Wall: 11078.4, 0.00298373/step, 1.09238 hours remaining, 209.636719 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: 3682000 730.5942 2058.2083 1920.2951 103.4424 -206288.0020 18027.3553 0.0000 0.0000 34256.0223 -149192.0843 299.1664 -183448.1066 -149095.2657 299.1540 -41.4596 -9.7941 558108.6918 -4.9380 -4.7965 PRESSURE: 3682200 -152.518 231.372 -72.6836 231.373 75.92 -104.937 -72.6829 -104.935 -107 GPRESSURE: 3682200 -87.4345 178.2 -116.517 223.884 56.4632 -54.4296 -117.186 -134.329 -58.124 PRESSAVG: 3682200 30.8658 -28.4846 -41.8839 -28.4846 46.8859 -19.7346 -41.8838 -19.7346 -30.1219 GPRESSAVG: 3682200 31.3874 -28.8932 -41.8501 -30.5448 46.5316 -22.8828 -40.5144 -17.3007 -30.4593 TIMING: 3682200 CPU: 11079, 0.00296654/step Wall: 11079, 0.00296654/step, 1.08592 hours remaining, 209.636719 MB of memory in use. ENERGY: 3682200 739.8790 2046.2050 1927.4941 112.9020 -206091.9248 17810.7006 0.0000 0.0000 34328.8943 -149125.8498 299.8028 -183454.7441 -149025.9884 299.3768 -61.1993 -29.6984 559810.1128 15.8766 15.8199 PRESSURE: 3682400 96.146 3.61905 -141.615 3.6198 98.1845 41.1407 -141.615 41.14 5.89763 GPRESSURE: 3682400 183.364 -4.00551 -150.208 -10.2765 124.651 45.6153 -107.746 85.9661 -1.68459 PRESSAVG: 3682400 -12.982 -13.9322 -103.137 -13.9321 46.0255 -27.3127 -103.137 -27.3126 -51.086 GPRESSAVG: 3682400 -12.9491 -15.3788 -101.202 -12.7462 45.3093 -25.2338 -105.859 -26.9762 -50.9 TIMING: 3682400 CPU: 11079.6, 0.00301011/step Wall: 11079.6, 0.00301011/step, 1.1017 hours remaining, 209.636719 MB of memory in use. ENERGY: 3682400 773.7367 2095.6512 1966.1923 122.3294 -206458.7824 17979.4322 0.0000 0.0000 34369.9477 -149151.4930 300.1613 -183521.4407 -149053.4017 298.6181 66.7427 102.1099 557736.2843 -6.0142 -6.1799 PRESSURE: 3682600 136.042 87.7054 17.1057 87.7048 -23.0765 -147.818 17.1041 -147.82 161.089 GPRESSURE: 3682600 196.019 149.315 3.60584 76.4731 -24.4962 -72.7992 59.9205 -52.7822 194.413 PRESSAVG: 3682600 50.0578 -2.02767 -11.7638 -2.02773 -28.3399 -36.1352 -11.7637 -36.1352 2.26421 GPRESSAVG: 3682600 49.7497 -0.697876 -12.5182 -2.75133 -28.2561 -35.6453 -10.3872 -37.1618 2.86126 TIMING: 3682600 CPU: 11080.2, 0.00299369/step Wall: 11080.2, 0.00299369/step, 1.09552 hours remaining, 209.636719 MB of memory in use. ENERGY: 3682600 770.3180 2140.1881 1974.8230 114.3059 -206053.9289 17857.5396 0.0000 0.0000 34174.5172 -149022.2371 298.4546 -183196.7543 -148924.7667 299.3686 91.3514 121.9787 557003.3748 7.9940 8.1183 PRESSURE: 3682800 34.7528 120.779 82.2551 120.778 128.332 64.6938 82.2557 64.6925 -31.2214 GPRESSURE: 3682800 37.468 170.07 112.502 46.7294 148.117 21.08 40.7309 132.818 48.1089 PRESSAVG: 3682800 44.9261 53.6599 -2.30516 53.66 -61.3227 -38.9381 -2.30508 -38.9381 24.36 GPRESSAVG: 3682800 44.1767 53.2227 -3.40666 54.9644 -61.4184 -39.8377 -1.78141 -38.1675 24.5716 TIMING: 3682800 CPU: 11080.8, 0.00300355/step Wall: 11080.8, 0.00300355/step, 1.09897 hours remaining, 209.636719 MB of memory in use. ENERGY: 3682800 749.1203 2055.1037 1917.3033 103.6026 -206123.6555 17883.2873 0.0000 0.0000 34426.1274 -148989.1110 300.6519 -183415.2384 -148893.2836 299.3322 43.9544 77.8979 557529.7941 2.6544 2.4433 PRESSURE: 3683000 -133.463 18.7633 130 18.7634 -67.7089 -173.345 130.001 -173.345 -256.369 GPRESSURE: 3683000 -162.97 38.7024 59.5325 -13.8664 -13.9784 -204.599 183.937 -161.949 -183.958 PRESSAVG: 3683000 11.2704 41.7098 17.7961 41.7098 -67.7352 -32.2786 17.7961 -32.2786 10.8125 GPRESSAVG: 3683000 11.8118 44.4844 17.7598 40.2231 -67.1433 -32.9511 17.856 -33.1926 9.5537 TIMING: 3683000 CPU: 11081.4, 0.00299505/step Wall: 11081.4, 0.00299505/step, 1.09569 hours remaining, 209.636719 MB of memory in use. ENERGY: 3683000 758.6395 2062.5741 1943.7796 109.5195 -205761.1506 17629.0906 0.0000 0.0000 34267.8677 -148989.6796 299.2698 -183257.5473 -148887.8917 299.5666 -152.5134 -120.3020 558410.8093 -15.2174 -15.2592 PRESSURE: 3683200 -30.5411 173.056 79.966 173.057 -160.739 -24.0661 79.9674 -24.0665 80.2295 GPRESSURE: 3683200 -3.41833 134.256 14.0753 223.686 -129.826 2.77925 118.27 -28.8435 107.629 PRESSAVG: 3683200 80.2798 27.9272 3.20709 27.9271 -78.4731 -4.44284 3.20711 -4.44291 -7.8783 GPRESSAVG: 3683200 80.5141 26.1603 3.31004 27.7878 -79.5525 -3.99028 4.22734 -4.94426 -6.91407 TIMING: 3683200 CPU: 11082, 0.0029826/step Wall: 11082, 0.0029826/step, 1.09097 hours remaining, 209.636719 MB of memory in use. ENERGY: 3683200 751.0685 2083.5000 1940.5786 123.2944 -206045.7120 17724.0564 0.0000 0.0000 34319.8049 -149103.4093 299.7234 -183423.2143 -149004.7416 299.6956 -37.0168 -8.5386 557101.2830 -2.0239 -1.9842 PRESSURE: 3683400 281.504 8.38057 -22.818 8.3814 56.0341 -23.9626 -22.818 -23.9635 161.821 GPRESSURE: 3683400 311.956 141.24 -16.372 47.6219 142.916 -31.0659 -31.5651 5.9623 143.367 PRESSAVG: 3683400 4.61252 19.8857 -30.1297 19.8858 30.8876 -40.3029 -30.1297 -40.303 -24.6319 GPRESSAVG: 3683400 4.00199 20.506 -28.7638 21.6809 31.6523 -40.4875 -32.3196 -39.5024 -24.5722 TIMING: 3683400 CPU: 11082.6, 0.00298692/step Wall: 11082.6, 0.00298692/step, 1.09238 hours remaining, 209.636719 MB of memory in use. ENERGY: 3683400 716.0841 2076.3870 1949.9132 110.9252 -206074.5719 17867.4099 0.0000 0.0000 34319.8577 -149033.9948 299.7239 -183353.8526 -148936.5011 299.7128 166.4532 199.4131 556523.7001 3.6228 3.6940 PRESSURE: 3683600 89.0286 114.573 111.218 114.573 -178.808 -80.1275 111.218 -80.1272 -29.4194 GPRESSURE: 3683600 91.2325 142.377 80.7838 10.3917 -134.36 -160.809 161.491 -10.5336 22.0544 PRESSAVG: 3683600 -51.3678 41.2919 8.3341 41.2918 47.2884 0.724529 8.3342 0.724564 -24.4094 GPRESSAVG: 3683600 -51.6896 39.2364 7.5599 40.6164 48.0512 2.15565 9.24347 1.76562 -24.8911 TIMING: 3683600 CPU: 11083.2, 0.00297675/step Wall: 11083.2, 0.00297675/step, 1.0885 hours remaining, 209.636719 MB of memory in use. ENERGY: 3683600 725.8237 2071.5630 1969.3884 115.4132 -205950.1283 17617.9308 0.0000 0.0000 34397.0354 -149052.9738 300.3979 -183450.0092 -148951.5865 300.2770 -39.7331 -7.0243 555273.1286 -9.4963 -9.5098 PRESSURE: 3683800 -206.373 -117.111 88.4616 -117.111 -29.1663 -101.523 88.4602 -101.523 -133.982 GPRESSURE: 3683800 -187.011 -49.4962 77.4927 -134.961 -4.32164 -133.693 87.6447 -125.728 -82.4262 PRESSAVG: 3683800 7.62463 -43.4429 8.98762 -43.4429 47.7298 3.36611 8.98751 3.36607 -85.8592 GPRESSAVG: 3683800 8.15385 -40.1661 7.77012 -43.5924 47.9404 0.884567 8.32992 1.68998 -86.2803 TIMING: 3683800 CPU: 11083.8, 0.00298024/step Wall: 11083.8, 0.00298024/step, 1.08961 hours remaining, 209.636719 MB of memory in use. ENERGY: 3683800 770.3056 2117.9964 1928.6361 118.8262 -206203.1961 17659.5676 0.0000 0.0000 34308.8973 -149298.9670 299.6281 -183607.8643 -149208.8086 299.4682 -123.1738 -91.2530 555635.7639 -10.1682 -10.0620 PRESSURE: 3684000 -54.7285 105.228 -40.5929 105.229 -27.9582 -11.1523 -40.593 -11.152 -0.601795 GPRESSURE: 3684000 -64.6575 29.5124 6.13251 211.135 60.4946 -0.249862 -4.00762 32.4633 21.865 PRESSAVG: 3684000 8.59555 26.8786 -49.9088 26.8787 54.334 -5.10369 -49.9088 -5.10357 19.5183 GPRESSAVG: 3684000 9.42972 26.4406 -48.2313 25.1806 51.9641 -3.8141 -48.7443 -5.4703 20.8441 TIMING: 3684000 CPU: 11084.4, 0.00298302/step Wall: 11084.4, 0.00298302/step, 1.09046 hours remaining, 209.636719 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: 3684000 751.7521 2027.5620 1932.5779 118.8166 -206070.6474 17692.8466 0.0000 0.0000 34218.2480 -149328.8441 298.8365 -183547.0921 -149232.5370 299.2415 -27.7628 5.9007 555710.9177 27.4826 27.4126 PRESSURE: 3684200 -173.05 -219.064 13.0292 -219.065 -40.5027 199.436 13.0293 199.436 -108.062 GPRESSURE: 3684200 -155.462 -211.287 41.2218 -189.489 -21.1599 151.397 -23.8185 208.869 -52.1127 PRESSAVG: 3684200 41.2276 23.9434 -38.3848 23.9433 -70.4963 47.086 -38.3849 47.086 -2.65829 GPRESSAVG: 3684200 40.6872 24.8974 -37.1817 24.5027 -68.8835 45.6694 -38.8937 46.5865 -4.04997 TIMING: 3684200 CPU: 11085, 0.00298142/step Wall: 11085, 0.00298142/step, 1.08971 hours remaining, 209.636719 MB of memory in use. ENERGY: 3684200 727.0894 2068.7616 1936.1111 127.1065 -206020.7846 17583.4930 0.0000 0.0000 34166.7550 -149411.4679 298.3868 -183578.2229 -149314.4282 298.7860 -107.2050 -76.2448 557796.6234 -10.6423 -10.7487 LDB: ============= START OF LOAD BALANCING ============== 11088.5 LDB: ============== END OF LOAD BALANCING =============== 11088.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11088.5 LDB: ============= START OF LOAD BALANCING ============== 11088.8 LDB: Largest compute 4802 load 0.030264 is 25.6% of average load 0.118244 LDB: Average compute 0.001715 is 1.5% of average load 0.118244 LDB: TIME 11088.8 LOAD: AVG 0.118244 MAX 0.209177 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.398 MB LDB: TIME 11088.8 LOAD: AVG 0.118244 MAX 0.209177 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.398 MB LDB: TIME 11088.8 LOAD: AVG 0.118244 MAX 0.209177 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.398 MB LDB: ============== END OF LOAD BALANCING =============== 11088.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11088.8 PRESSURE: 3684400 287.475 -112.532 43.5233 -112.532 79.5718 -7.34983 43.5233 -7.34991 -24.8209 GPRESSURE: 3684400 283.072 -189.045 91.2867 -41.3147 131.002 17.8964 -40.9877 3.66816 24.854 PRESSAVG: 3684400 28.4385 -51.7152 -67.1418 -51.7152 -30.6339 -16.3361 -67.1419 -16.3362 -48.4538 GPRESSAVG: 3684400 29.7849 -53.4564 -67.9471 -50.6392 -30.9749 -14.7188 -69.4214 -17.1383 -48.4552 TIMING: 3684400 CPU: 11085.6, 0.00304632/step Wall: 11085.6, 0.00304632/step, 1.11326 hours remaining, 211.769531 MB of memory in use. ENERGY: 3684400 706.0357 2012.1981 1950.2706 110.9628 -206403.1490 17975.7446 0.0000 0.0000 34139.3464 -149508.5908 298.1474 -183647.9372 -149413.2983 298.7034 114.0751 146.3094 556223.5400 -16.8831 -16.5484 PRESSURE: 3684600 -16.3135 -45.5305 10.5603 -45.531 -131.882 29.1676 10.5607 29.1678 -416.474 GPRESSURE: 3684600 -41.3784 -21.1138 16.6936 -111.403 -69.1544 17.6207 -0.643078 110.775 -355.298 PRESSAVG: 3684600 -3.44911 -39.5548 3.58972 -39.5549 -13.2852 -0.835332 3.5897 -0.835434 8.80303 GPRESSAVG: 3684600 -4.37877 -39.2033 2.66963 -38.6923 -12.3959 -0.963749 5.59463 0.194121 8.44665 TIMING: 3684600 CPU: 11086.2, 0.00297587/step Wall: 11086.2, 0.00297587/step, 1.08735 hours remaining, 211.972656 MB of memory in use. ENERGY: 3684600 753.9634 2105.2254 1959.2495 108.4719 -206288.1579 17616.7468 0.0000 0.0000 34142.2536 -149602.2473 298.1728 -183744.5009 -149508.3784 298.0596 -188.2235 -155.2769 557102.3415 -2.6438 -2.7760 PRESSURE: 3684800 271.605 -40.2983 -89.9756 -40.2983 -248.074 -126.811 -89.9767 -126.81 -50.566 GPRESSURE: 3684800 276 -55.9228 -53.8536 19.0986 -235.134 -161.905 -107.767 -148.606 32.7508 PRESSAVG: 3684800 18.3947 15.1909 -2.87581 15.1908 22.6267 7.48774 -2.87581 7.48785 -16.9897 GPRESSAVG: 3684800 19.0555 16.2738 -1.24782 13.6852 22.5721 8.63637 -4.16837 6.7187 -17.4802 TIMING: 3684800 CPU: 11086.8, 0.00298299/step Wall: 11086.8, 0.00298299/step, 1.08978 hours remaining, 211.972656 MB of memory in use. ENERGY: 3684800 773.0727 2100.1615 1924.8677 101.2123 -206381.8580 17777.5973 0.0000 0.0000 34061.2850 -149643.6614 297.4657 -183704.9464 -149539.7327 298.1743 -9.0118 24.5390 555080.5861 8.0106 8.0492 PRESSURE: 3685000 -11.3733 74.3612 -43.972 74.3614 58.2921 -146.461 -43.9714 -146.461 -61.6701 GPRESSURE: 3685000 12.0388 104.477 -59.3312 65.9324 81.2903 -112.097 -17.2573 -212.701 -19.8299 PRESSAVG: 3685000 74.9195 1.5849 2.7238 1.58488 61.6654 -1.39708 2.72388 -1.39703 -145.33 GPRESSAVG: 3685000 74.1084 -0.359047 2.93236 3.60083 62.3864 -1.33894 3.34165 -2.77049 -144.859 TIMING: 3685000 CPU: 11087.4, 0.00297594/step Wall: 11087.4, 0.00297594/step, 1.08704 hours remaining, 211.972656 MB of memory in use. ENERGY: 3685000 766.8363 2147.9323 1943.0438 89.9437 -206568.9287 17886.7056 0.0000 0.0000 34100.0113 -149634.4557 297.8039 -183734.4671 -149542.1031 298.3645 -4.9171 24.4997 555524.1082 -2.9150 -2.7880 PRESSURE: 3685200 67.1216 -20.955 48.2618 -20.956 -73.2813 -17.2511 48.2613 -17.2521 -260.123 GPRESSURE: 3685200 86.6135 -84.2563 119.423 -50.5312 -37.3595 31.5699 42.7813 -52.683 -215.945 PRESSAVG: 3685200 18.4926 -1.10498 7.80882 -1.10489 63.8751 -30.9324 7.80888 -30.9324 -43.6615 GPRESSAVG: 3685200 19.1359 1.11742 7.06735 -3.43307 63.3978 -31.0657 7.30151 -28.4068 -43.4177 TIMING: 3685200 CPU: 11088, 0.00297792/step Wall: 11088, 0.00297792/step, 1.0876 hours remaining, 211.972656 MB of memory in use. ENERGY: 3685200 740.0951 2119.2342 1949.2054 114.6323 -206322.6440 17725.3903 0.0000 0.0000 34140.5886 -149533.4980 298.1583 -183674.0867 -149439.6325 298.6810 -88.7610 -55.5638 558304.3020 12.9020 13.0387 PRESSURE: 3685400 231.593 47.1448 -43.8725 47.1464 271.554 30.2953 -43.8729 30.2941 35.0527 GPRESSURE: 3685400 251.692 84.6394 -84.2406 68.1832 360.617 42.4869 -33.1181 10.6042 20.667 PRESSAVG: 3685400 61.7314 10.7285 31.1542 10.7286 -4.60167 -9.95354 31.1541 -9.95357 -82.2355 GPRESSAVG: 3685400 61.6548 10.1482 30.5401 10.1721 -4.86681 -11.9118 30.5418 -10.1626 -82.1562 TIMING: 3685400 CPU: 11088.6, 0.00297998/step Wall: 11088.6, 0.00297998/step, 1.08819 hours remaining, 211.972656 MB of memory in use. ENERGY: 3685400 734.8656 2092.0682 1926.4709 101.0990 -206568.5325 17923.8550 0.0000 0.0000 34258.1554 -149532.0184 299.1850 -183790.1738 -149442.6596 297.9942 179.4000 210.9920 556189.6910 -8.3686 -8.4561 PRESSURE: 3685600 -459.413 84.6224 -151.346 84.6228 -190.61 -126.269 -151.347 -126.268 -153.627 GPRESSURE: 3685600 -408.359 111.033 -119.191 38.6698 -175.303 -78.9043 -126.26 -89.7616 -138.386 PRESSAVG: 3685600 -5.52001 -11.3761 -18.1928 -11.3761 30.9407 -35.1109 -18.1928 -35.111 -26.9621 GPRESSAVG: 3685600 -5.00693 -11.6588 -18.2636 -7.38444 32.0508 -34.5966 -18.5986 -35.5364 -28.2923 TIMING: 3685600 CPU: 11089.2, 0.00299647/step Wall: 11089.2, 0.00299647/step, 1.09405 hours remaining, 211.972656 MB of memory in use. ENERGY: 3685600 733.6038 2074.4818 1927.0544 114.9343 -206050.7659 17433.3327 0.0000 0.0000 34351.3317 -149416.0272 299.9987 -183767.3589 -149306.7715 298.9843 -267.8836 -240.6826 557782.8574 -0.5138 -0.4162 PRESSURE: 3685800 105.491 -78.239 -6.11497 -78.2387 -94.9874 82.3366 -6.11534 82.3369 20.5466 GPRESSURE: 3685800 165.144 8.60948 -19.3969 -45.4274 -61.7921 12.3728 11.0952 137.771 22.3731 PRESSAVG: 3685800 -75.3422 -16.0559 53.8825 -16.0559 38.789 -38.3578 53.8824 -38.3578 -23.5352 GPRESSAVG: 3685800 -75.8364 -16.9185 53.6339 -18.4457 39.1187 -38.0589 56.7806 -37.8535 -22.854 TIMING: 3685800 CPU: 11089.8, 0.00301674/step Wall: 11089.8, 0.00301674/step, 1.10128 hours remaining, 211.972656 MB of memory in use. ENERGY: 3685800 729.3330 2149.1800 1946.5709 114.5354 -206370.7614 17952.0052 0.0000 0.0000 34135.3949 -149343.7420 298.1129 -183479.1370 -149247.5900 298.1179 10.3501 41.9084 557440.2745 -20.0295 -19.8573 PRESSURE: 3686000 -122.014 19.1642 105.536 19.1629 -208.605 152.76 105.535 152.76 -188.212 GPRESSURE: 3686000 -86.1772 9.29 112.949 30.4137 -157.758 180.866 84.1547 175.853 -169.528 PRESSAVG: 3686000 10.8095 53.3804 22.2149 53.3803 27.8804 40.7244 22.2149 40.7244 -40.7397 GPRESSAVG: 3686000 9.76408 53.2224 22.825 54.4043 27.2241 42.067 19.3704 39.4083 -39.4369 TIMING: 3686000 CPU: 11090.4, 0.00302225/step Wall: 11090.4, 0.00302225/step, 1.10312 hours remaining, 211.972656 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: 3686000 755.5645 2080.1708 1935.7027 105.7658 -206251.2715 17811.1893 0.0000 0.0000 34285.4858 -149277.3926 299.4237 -183562.8784 -149182.9125 298.3791 -172.9436 -137.8212 559054.4408 -0.6833 -0.8162 PRESSURE: 3686200 -138.249 -70.0019 -20.0633 -70.0015 -180.131 -79.4345 -20.063 -79.4362 14.47 GPRESSURE: 3686200 -97.9746 -107.823 32.5338 -48.8892 -147.078 2.96275 64.4548 -40.0571 37.4816 PRESSAVG: 3686200 1.3199 -23.7975 9.45008 -23.7975 -68.0391 -8.8996 9.44999 -8.89967 40.1678 GPRESSAVG: 3686200 2.97039 -22.592 11.7465 -26.3372 -68.7511 -8.60712 9.17772 -8.11672 39.9274 TIMING: 3686200 CPU: 11091, 0.00298709/step Wall: 11091, 0.00298709/step, 1.09012 hours remaining, 211.972656 MB of memory in use. ENERGY: 3686200 731.6642 2055.0662 1943.9282 110.4433 -206427.4630 17824.4126 0.0000 0.0000 34286.9415 -149475.0070 299.4364 -183761.9485 -149379.3964 298.4278 -101.3035 -69.1904 558232.0826 -8.8505 -8.6178 PRESSURE: 3686400 -177.177 -59.327 -5.68153 -59.3271 4.30574 -99.4551 -5.68145 -99.4572 7.68612 GPRESSURE: 3686400 -146.456 -38.658 -1.24539 -141.39 -17.4485 -80.922 -55.3257 -66.0044 85.7809 PRESSAVG: 3686400 4.87806 -27.3113 23.3617 -27.3112 -35.3298 -19.4366 23.3616 -19.4367 -0.51789 GPRESSAVG: 3686400 6.07666 -28.6066 19.7338 -25.6891 -35.1843 -20.1277 27.5409 -18.908 -1.25533 TIMING: 3686400 CPU: 11091.6, 0.00299622/step Wall: 11091.6, 0.00299622/step, 1.09329 hours remaining, 211.972656 MB of memory in use. ENERGY: 3686400 786.6157 2084.1069 1950.1347 112.3221 -206459.8222 17823.2231 0.0000 0.0000 34415.9382 -149287.4816 300.5629 -183703.4198 -149198.6168 298.3579 -55.0618 -26.0413 557978.3710 -10.3232 -10.1210 PRESSURE: 3686600 65.7827 32.2708 -5.03624 32.2702 156.8 -105.856 -5.03734 -105.857 28.6541 GPRESSURE: 3686600 90.3576 46.456 -59.1475 36.0941 238.948 -61.0271 20.1214 -69.3502 17.8224 PRESSAVG: 3686600 -25.5168 28.3522 35.5618 28.3521 14.8323 -43.0837 35.5618 -43.0838 -6.20044 GPRESSAVG: 3686600 -26.5643 29.2279 34.7235 28.0271 15.1806 -41.1876 35.2638 -43.5231 -5.12574 TIMING: 3686600 CPU: 11092.2, 0.00304007/step Wall: 11092.2, 0.00304007/step, 1.10912 hours remaining, 212.042969 MB of memory in use. ENERGY: 3686600 723.3623 2057.1508 1926.0738 117.9461 -206359.8986 18099.6093 0.0000 0.0000 34225.3768 -149210.3796 298.8987 -183435.7564 -149109.5165 298.4985 83.7455 115.7095 558307.4355 -5.6283 -5.5031 PRESSURE: 3686800 116.972 -37.0008 -19.5966 -37.0006 -5.19265 -116.984 -19.5971 -116.986 84.9421 GPRESSURE: 3686800 164.713 -131.861 20.8453 57.6537 32.1687 -25.9117 -56.6168 -108.742 89.2732 PRESSAVG: 3686800 33.9215 20.712 -49.158 20.7119 -65.9616 -36.8542 -49.158 -36.8543 -3.5214 GPRESSAVG: 3686800 34.3589 19.5845 -47.8845 19.6131 -65.3744 -38.2287 -51.6086 -36.2193 -4.75674 TIMING: 3686800 CPU: 11092.8, 0.00303376/step Wall: 11092.8, 0.00303376/step, 1.10665 hours remaining, 212.042969 MB of memory in use. ENERGY: 3686800 753.3956 2034.5394 1934.2346 104.8878 -206543.7893 18040.1217 0.0000 0.0000 34483.9839 -149192.6263 301.1572 -183676.6102 -149093.3624 299.2815 65.5739 95.3848 557311.8805 -11.8538 -11.9241 PRESSURE: 3687000 -126.237 -61.084 -74.4187 -61.0847 -77.4857 -101.704 -74.4195 -101.702 -343.094 GPRESSURE: 3687000 -60.0884 -75.4455 -17.6796 -0.687258 -52.1952 -82.059 -25.4544 -225.266 -329.116 PRESSAVG: 3687000 -14.493 -53.1796 -14.8604 -53.1796 21.4549 15.9324 -14.8604 15.9323 24.7042 GPRESSAVG: 3687000 -14.0882 -53.2427 -16.3823 -51.6346 21.0591 17.3094 -11.3539 14.7926 24.8642 TIMING: 3687000 CPU: 11093.4, 0.00301562/step Wall: 11093.4, 0.00301562/step, 1.09986 hours remaining, 212.042969 MB of memory in use. ENERGY: 3687000 784.0499 2104.8201 1908.3511 124.9865 -206130.0468 17689.2684 0.0000 0.0000 34340.7222 -149177.8485 299.9061 -183518.5707 -149089.5151 299.4586 -182.2723 -147.1333 557832.9607 10.5554 10.6117 PRESSURE: 3687200 74.784 -40.754 -32.5809 -40.7549 -184.86 17.8629 -32.58 17.8636 -55.9939 GPRESSURE: 3687200 112.487 -43.2346 -33.2672 -110.468 -158.186 7.55739 43.8488 51.5254 -16.07 PRESSAVG: 3687200 -12.2517 -57.3631 -20.2609 -57.3631 2.89612 -52.2256 -20.2609 -52.2256 17.3383 GPRESSAVG: 3687200 -13.7357 -57.9791 -20.983 -57.436 3.82796 -54.6679 -21.684 -51.9055 18.1059 TIMING: 3687200 CPU: 11094, 0.00300454/step Wall: 11094, 0.00300454/step, 1.09565 hours remaining, 212.042969 MB of memory in use. ENERGY: 3687200 736.5977 2135.0447 1909.7218 127.1266 -206114.6708 17666.4402 0.0000 0.0000 34346.6523 -149193.0874 299.9579 -183539.7397 -149097.2889 299.4801 -55.3566 -20.5897 558064.7322 2.6609 2.7327 PRESSURE: 3687400 44.5055 -9.50254 101.504 -9.50378 141.866 -58.5165 101.503 -58.5171 372.071 GPRESSURE: 3687400 75.3851 -22.7835 57.9728 -94.2465 170.104 -176.158 -4.77363 -27.1304 408.611 PRESSAVG: 3687400 -11.9422 -14.1025 25.0212 -14.1024 11.4236 -57.769 25.0212 -57.7692 -30.1243 GPRESSAVG: 3687400 -10.5996 -13.5333 27.3338 -14.8341 10.4128 -57.2045 23.8014 -56.7538 -30.4175 TIMING: 3687400 CPU: 11094.6, 0.00297962/step Wall: 11094.6, 0.00297962/step, 1.0864 hours remaining, 212.042969 MB of memory in use. ENERGY: 3687400 739.4151 2069.3321 1949.9092 98.6929 -206354.2923 18075.5282 0.0000 0.0000 34236.5725 -149184.8423 298.9965 -183421.4148 -149080.0920 299.7352 186.1475 218.0332 558102.5839 -10.2143 -10.2015 PRESSURE: 3687600 45.05 -51.4274 24.1929 -51.429 -6.21785 104.487 24.1931 104.489 -79.4936 GPRESSURE: 3687600 36.246 -4.63921 71.2752 -86.5403 21.8812 99.6327 37.9459 93.9475 -9.06152 PRESSAVG: 3687600 20.1106 -21.0123 -29.046 -21.0123 46.5218 -38.8527 -29.046 -38.8527 -32.0086 GPRESSAVG: 3687600 20.9031 -18.937 -28.8758 -20.4282 45.7362 -39.7076 -29.4799 -39.423 -31.9399 TIMING: 3687600 CPU: 11095.2, 0.0029847/step Wall: 11095.2, 0.0029847/step, 1.08809 hours remaining, 212.042969 MB of memory in use. ENERGY: 3687600 717.8400 2073.8809 1935.4367 111.0119 -205961.2324 17801.6437 0.0000 0.0000 34224.8210 -149096.5982 298.8939 -183321.4192 -148999.8980 299.4708 -13.5538 16.3552 556429.0889 11.5413 11.5665 PRESSURE: 3687800 167.694 -44.0042 96.574 -44.0062 -292.528 -97.2102 96.5735 -97.2101 66.6985 GPRESSURE: 3687800 199.409 32.9556 145.569 -62.7443 -239.515 -123.064 8.13836 -193.872 83.4027 PRESSAVG: 3687800 40.2518 35.8673 -5.37069 35.8673 -39.7783 -24.0697 -5.37058 -24.0697 5.58423 GPRESSAVG: 3687800 38.8801 35.4683 -5.72276 35.1746 -38.5681 -21.8099 -5.45018 -25.1967 6.05482 TIMING: 3687800 CPU: 11095.8, 0.00300251/step Wall: 11095.8, 0.00300251/step, 1.09441 hours remaining, 212.042969 MB of memory in use. ENERGY: 3687800 744.4830 2051.4231 1940.2176 114.1851 -206173.0850 17770.1901 0.0000 0.0000 34443.6419 -149108.9443 300.8049 -183552.5861 -149012.4669 299.2982 -19.3783 14.4320 555992.0506 2.0192 2.1223 PRESSURE: 3688000 -5.44361 -85.4496 -48.2095 -85.45 -131.46 -154.352 -48.21 -154.352 -136.265 GPRESSURE: 3688000 4.50504 -116.672 75.884 -142.698 -147.486 -179.739 -128.067 -166.319 -45.2294 PRESSAVG: 3688000 69.6903 -36.0717 25.8256 -36.0717 -3.23449 -18.42 25.8256 -18.42 -57.2983 GPRESSAVG: 3688000 69.2184 -36.0237 24.4915 -34.6085 -1.88016 -17.742 26.3582 -17.7127 -58.765 TIMING: 3688000 CPU: 11096.4, 0.00302036/step Wall: 11096.4, 0.00302036/step, 1.10075 hours remaining, 212.042969 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: 3688000 715.5962 2099.3874 1912.2297 104.0540 -206005.2215 17615.0546 0.0000 0.0000 34215.8650 -149343.0346 298.8157 -183558.8996 -149245.3512 299.8493 -91.0560 -62.7369 557246.6318 3.0525 2.8578 PRESSURE: 3688200 191.22 71.5035 24.9381 71.5027 49.8076 81.1705 24.9363 81.1708 213.024 GPRESSURE: 3688200 269.951 67.3502 64.6072 123.873 102.717 142.438 -43.8899 49.3235 179.739 PRESSAVG: 3688200 79.7966 -22.8348 -19.661 -22.8348 -36.9485 -34.2843 -19.661 -34.2842 -31.1909 GPRESSAVG: 3688200 80.3011 -23.0746 -17.8613 -23.6099 -38.5004 -36.7624 -19.7482 -33.559 -30.4625 TIMING: 3688200 CPU: 11097, 0.00302241/step Wall: 11097, 0.00302241/step, 1.10133 hours remaining, 212.042969 MB of memory in use. ENERGY: 3688200 763.8803 2072.5588 1943.0683 110.9220 -206223.6651 17884.2631 0.0000 0.0000 34204.5045 -149244.4681 298.7164 -183448.9726 -149146.6967 299.2731 151.3506 184.1359 555681.4826 3.8857 3.7794 LDB: ============= START OF LOAD BALANCING ============== 11100.5 LDB: ============== END OF LOAD BALANCING =============== 11100.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11100.5 LDB: ============= START OF LOAD BALANCING ============== 11100.8 LDB: Largest compute 4802 load 0.031398 is 26.6% of average load 0.118195 LDB: Average compute 0.001724 is 1.5% of average load 0.118195 LDB: TIME 11100.8 LOAD: AVG 0.118195 MAX 0.210725 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.762 MB LDB: TIME 11100.9 LOAD: AVG 0.118195 MAX 0.210725 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.762 MB LDB: TIME 11100.9 LOAD: AVG 0.118195 MAX 0.210725 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.762 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11100.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11100.9 PRESSURE: 3688400 -254.747 -37.8072 -149.091 -37.8075 -69.3319 63.9618 -149.092 63.9622 -128.485 GPRESSURE: 3688400 -236.412 -31.6904 -109.838 -59.1154 -62.8794 86.5002 -88.1406 131.023 -61.5129 PRESSAVG: 3688400 -73.2831 31.5934 -45.2867 31.5934 53.9567 24.0334 -45.2868 24.0332 51.3344 GPRESSAVG: 3688400 -73.6782 31.8376 -45.1093 32.023 54.2473 24.4359 -46.6705 23.4493 51.4625 TIMING: 3688400 CPU: 11097.6, 0.00305238/step Wall: 11097.6, 0.00305238/step, 1.11208 hours remaining, 208.429688 MB of memory in use. ENERGY: 3688400 726.2616 2065.5466 1953.3516 106.6133 -205950.0621 17590.1758 0.0000 0.0000 34478.2846 -149029.8287 301.1074 -183508.1133 -148938.3294 299.6161 -150.8547 -120.2680 559030.8717 10.6694 10.6772 PRESSURE: 3688600 67.0817 94.1804 17.5805 94.179 -291.299 160.951 17.5802 160.949 -182.463 GPRESSURE: 3688600 28.2999 78.6229 -52.2227 119.594 -212.864 234.52 85.5906 99.9904 -108.454 PRESSAVG: 3688600 34.4321 -10.1535 -69.7117 -10.1534 15.8204 51.7994 -69.7117 51.7993 -55.3476 GPRESSAVG: 3688600 34.4169 -10.5698 -68.8836 -10.2298 16.9983 52.2621 -69.3429 51.3396 -55.6753 TIMING: 3688600 CPU: 11098.2, 0.00298866/step Wall: 11098.2, 0.00298866/step, 1.0887 hours remaining, 208.632812 MB of memory in use. ENERGY: 3688600 728.7980 2104.0524 1947.8930 118.5793 -205851.7628 17599.8540 0.0000 0.0000 34268.5877 -149083.9984 299.2761 -183352.5861 -148986.8151 299.7554 -135.5599 -97.6730 559008.8911 -1.6983 -1.4200 PRESSURE: 3688800 -61.0614 -44.4346 24.718 -44.4342 -483.594 -78.455 24.7179 -78.4548 -151.742 GPRESSURE: 3688800 -71.1431 -69.952 -8.41166 -100.486 -442.239 -33.0146 0.169205 -15.7337 -93.6897 PRESSAVG: 3688800 41.7108 -21.3967 1.83909 -21.3968 -30.9117 40.1643 1.83903 40.1642 -0.597335 GPRESSAVG: 3688800 40.7881 -18.0108 0.853682 -24.4336 -31.6968 40.3916 2.09736 39.1706 0.695549 TIMING: 3688800 CPU: 11098.8, 0.0029983/step Wall: 11098.8, 0.0029983/step, 1.09205 hours remaining, 208.632812 MB of memory in use. ENERGY: 3688800 712.1803 2079.6257 1937.3790 107.0872 -205431.6948 17274.2714 0.0000 0.0000 34269.3862 -149051.7649 299.2831 -183321.1511 -148959.8045 299.7146 -232.1325 -202.3572 556920.5344 3.4006 3.2623 PRESSURE: 3689000 189.909 -5.60471 -42.5404 -5.6047 -167.648 -12.7362 -42.5409 -12.737 -213.648 GPRESSURE: 3689000 200.332 -86.2135 -35.2577 7.86525 -140.54 1.90193 -88.9182 19.7353 -146.575 PRESSAVG: 3689000 87.7787 26.5039 2.16943 26.5039 -1.00836 -27.4483 2.16946 -27.4482 -34.5335 GPRESSAVG: 3689000 88.5987 23.7045 2.45879 26.7285 -0.765082 -27.8466 3.32566 -26.1702 -35.675 TIMING: 3689000 CPU: 11099.4, 0.00300789/step Wall: 11099.4, 0.00300789/step, 1.09537 hours remaining, 208.632812 MB of memory in use. ENERGY: 3689000 723.5955 2109.2155 1930.8541 117.8170 -205829.2520 17548.8085 0.0000 0.0000 34299.1447 -149099.8167 299.5430 -183398.9614 -149002.7937 299.6698 -63.7956 -28.9279 556953.5050 17.4123 17.3862 PRESSURE: 3689200 -250.824 -30.0079 102.471 -30.007 121.701 -18.2417 102.471 -18.2409 57.1248 GPRESSURE: 3689200 -144.504 -57.0469 73.5915 -12.7981 86.399 0.0636294 103.605 -4.5467 75.4254 PRESSAVG: 3689200 -42.7993 -20.4907 -34.9396 -20.4908 35.0178 -0.662922 -34.9395 -0.662872 28.8091 GPRESSAVG: 3689200 -43.293 -21.7152 -36.0676 -19.3309 36.0774 -1.93759 -34.2815 0.212999 28.1073 TIMING: 3689200 CPU: 11100, 0.00301151/step Wall: 11100, 0.00301151/step, 1.09652 hours remaining, 208.632812 MB of memory in use. ENERGY: 3689200 744.3047 2093.0477 1962.9619 109.3917 -206070.1345 17820.5005 0.0000 0.0000 34143.1420 -149196.7859 298.1806 -183339.9280 -149102.4686 299.4050 -23.9993 5.7734 556517.3032 7.0092 6.9639 PRESSURE: 3689400 -160.842 47.3139 61.8792 47.3129 -110.46 -110.658 61.8787 -110.658 41.0729 GPRESSURE: 3689400 -134.594 4.80352 82.7019 116.343 -77.5661 -111.906 13.8334 -123.092 101.099 PRESSAVG: 3689400 -25.633 -18.0635 27.7117 -18.0635 -11.4738 20.6119 27.7117 20.6118 44.496 GPRESSAVG: 3689400 -24.5203 -18.404 29.1418 -18.5982 -13.1727 22.6301 25.9022 19.4052 44.9338 TIMING: 3689400 CPU: 11100.6, 0.00299032/step Wall: 11100.6, 0.00299032/step, 1.08864 hours remaining, 208.632812 MB of memory in use. ENERGY: 3689400 769.1889 2118.1008 1963.4124 101.4757 -205946.5068 17636.0905 0.0000 0.0000 34205.6234 -149152.6151 298.7262 -183358.2385 -149054.6993 298.9971 -76.7431 -37.0206 558596.5294 2.4631 2.4136 PRESSURE: 3689600 -119.227 69.1463 -55.9636 69.1464 -127.01 -30.3445 -55.9639 -30.346 -5.32449 GPRESSURE: 3689600 -110.287 84.7793 -102.823 65.3741 -16.0973 -41.5023 -44.2165 65.9141 -21.0066 PRESSAVG: 3689600 10.807 17.5393 15.8652 17.5392 3.59534 -39.3801 15.8651 -39.3802 -0.232497 GPRESSAVG: 3689600 9.86709 18.7522 14.3844 20.0338 4.63607 -39.6432 17.9354 -39.6253 -0.323588 TIMING: 3689600 CPU: 11101.2, 0.00300257/step Wall: 11101.2, 0.00300257/step, 1.09294 hours remaining, 208.632812 MB of memory in use. ENERGY: 3689600 724.5972 2082.7969 1963.5272 125.8060 -206231.4690 17769.4797 0.0000 0.0000 34358.7496 -149206.5123 300.0635 -183565.2619 -149108.6665 300.0986 -83.8537 -49.1302 558056.4834 4.7233 4.7265 PRESSURE: 3689800 12.6479 22.3535 -119.696 22.3531 240.7 49.0813 -119.696 49.0806 -104.804 GPRESSURE: 3689800 7.56862 97.5346 -130.138 -40.5634 275.425 106.021 -38.3352 21.1919 -33.7023 PRESSAVG: 3689800 -33.4933 -4.2679 -47.2217 -4.26801 39.8868 -32.4199 -47.2217 -32.4199 -21.051 GPRESSAVG: 3689800 -32.8319 -5.68167 -45.99 -3.85636 40.6102 -32.6542 -51.819 -32.6901 -22.3943 TIMING: 3689800 CPU: 11101.8, 0.00298251/step Wall: 11101.8, 0.00298251/step, 1.08547 hours remaining, 208.632812 MB of memory in use. ENERGY: 3689800 747.5741 2055.4781 1958.6197 118.0881 -206453.8712 18048.3783 0.0000 0.0000 34095.9471 -149429.7859 297.7684 -183525.7330 -149328.3386 298.8236 49.5148 83.0972 557863.4991 -4.8858 -4.8720 PRESSURE: 3690000 -116.307 -89.6023 69.1117 -89.6029 -192.663 -3.60747 69.1118 -3.60518 81.3872 GPRESSURE: 3690000 -134.875 -21.2735 112.331 -60.9814 -148.066 -21.0872 -57.3495 18.3993 156.498 PRESSAVG: 3690000 -45.2921 -22.5207 29.1378 -22.5208 72.1926 -33.448 29.1378 -33.4479 10.9202 GPRESSAVG: 3690000 -45.3461 -22.0267 27.6338 -25.3504 71.8771 -33.3881 32.4236 -33.9934 11.3659 TIMING: 3690000 CPU: 11102.4, 0.00301701/step Wall: 11102.4, 0.00301701/step, 1.09786 hours remaining, 208.835938 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: 3690000 715.0079 2125.0705 1924.8224 125.5776 -206330.3680 17842.0148 0.0000 0.0000 34264.3638 -149333.5109 299.2392 -183597.8747 -149230.7284 298.5571 -75.8607 -42.1473 559744.3844 12.6069 12.6323 PRESSURE: 3690200 110.946 228.597 -76.1282 228.597 -54.0098 -43.546 -76.1281 -43.5448 161.631 GPRESSURE: 3690200 182.678 165.19 -18.5392 338.695 -10.4699 -64.122 -33.8548 -70.9739 133.862 PRESSAVG: 3690200 7.76931 -50.9277 21.2612 -50.9277 36.673 -7.02915 21.2612 -7.0292 -2.2347 GPRESSAVG: 3690200 7.65412 -51.8154 20.3142 -50.0275 36.1289 -6.72363 23.0438 -6.5186 -1.74978 TIMING: 3690200 CPU: 11103, 0.00299651/step Wall: 11103, 0.00299651/step, 1.09023 hours remaining, 208.835938 MB of memory in use. ENERGY: 3690200 758.6480 2085.4854 1959.2631 104.5879 -206589.9440 18030.2265 0.0000 0.0000 34332.3372 -149319.3960 299.8328 -183651.7331 -149212.6118 299.1040 72.8558 102.0234 558442.0478 14.0692 14.0111 PRESSURE: 3690400 14.2363 118.066 -91.9051 118.065 -21.0602 68.0066 -91.9041 68.0059 -203.947 GPRESSURE: 3690400 19.2025 87.5537 -118.803 70.3699 -15.8377 136.91 -161.011 13.5573 -107.57 PRESSAVG: 3690400 49.3419 -40.1528 -22.3131 -40.1527 6.51818 -30.7592 -22.3131 -30.759 -43.4932 GPRESSAVG: 3690400 49.5731 -37.8964 -20.7113 -41.3789 6.07776 -29.9349 -23.7564 -31.9201 -43.5809 TIMING: 3690400 CPU: 11103.6, 0.00297033/step Wall: 11103.6, 0.00297033/step, 1.08054 hours remaining, 208.835938 MB of memory in use. ENERGY: 3690400 757.0413 2110.7159 1935.2193 113.5633 -205979.0137 17668.8830 0.0000 0.0000 34168.2849 -149225.3061 298.4001 -183393.5910 -149130.9492 298.9309 -70.2571 -34.7351 558063.4654 4.1223 4.0233 PRESSURE: 3690600 17.4522 21.8673 -68.999 21.8675 96.9992 -77.3671 -68.9995 -77.367 220.612 GPRESSURE: 3690600 27.0538 7.67977 -47.1943 10.9131 166.585 -111.167 -82.1729 -80.5708 248.207 PRESSAVG: 3690600 -12.6695 28.5126 -26.4025 28.5127 -9.6027 -26.1779 -26.4025 -26.1777 11.0106 GPRESSAVG: 3690600 -12.9339 25.9873 -25.0923 30.269 -8.56641 -27.6829 -26.986 -24.3132 10.6345 TIMING: 3690600 CPU: 11104.2, 0.00300488/step Wall: 11104.2, 0.00300488/step, 1.09294 hours remaining, 208.835938 MB of memory in use. ENERGY: 3690600 755.5059 2101.2275 1938.8937 118.4293 -206644.8899 18103.9862 0.0000 0.0000 34485.9829 -149140.8644 301.1747 -183626.8473 -149047.0183 299.7858 111.6880 147.2821 557274.4036 -3.7539 -3.6219 PRESSURE: 3690800 -55.2675 -84.9037 -160.165 -84.9036 90.3722 -2.08554 -160.165 -2.08589 -87.1486 GPRESSURE: 3690800 -7.79552 5.77602 -134.215 -101.296 74.525 -21.4908 -158.33 -10.1587 -11.3463 PRESSAVG: 3690800 6.16594 35.2306 4.65812 35.2306 29.2131 3.56867 4.65818 3.56867 -25.4772 GPRESSAVG: 3690800 6.05201 37.0742 4.42951 32.8317 28.7107 2.52152 3.76472 3.17625 -24.8533 TIMING: 3690800 CPU: 11104.8, 0.00298217/step Wall: 11104.8, 0.00298217/step, 1.08452 hours remaining, 208.835938 MB of memory in use. ENERGY: 3690800 742.0780 2148.3783 1976.2485 112.6917 -206200.8255 17745.5644 0.0000 0.0000 34342.4500 -149133.4148 299.9212 -183475.8648 -149039.2941 299.6048 -17.3480 18.4611 557374.5414 3.3006 3.3031 PRESSURE: 3691000 -231.043 -49.7477 103.926 -49.7481 -193.848 -78.3303 103.927 -78.3298 -140.521 GPRESSURE: 3691000 -184.027 -129.141 85.7527 -96.3634 -199.487 -107.289 111.331 -30.6732 -93.8559 PRESSAVG: 3691000 -30.8217 6.40831 4.83525 6.40827 20.9355 38.6049 4.83532 38.6049 21.4959 GPRESSAVG: 3691000 -30.7387 4.8074 4.7428 7.12043 21.2983 37.2628 5.38431 37.7628 21.2238 TIMING: 3691000 CPU: 11105.4, 0.00299052/step Wall: 11105.4, 0.00299052/step, 1.08739 hours remaining, 208.835938 MB of memory in use. ENERGY: 3691000 714.7072 2154.9985 1925.5533 106.6139 -205444.1479 17382.5835 0.0000 0.0000 34303.9808 -148855.7107 299.5852 -183159.6915 -148758.9918 300.6276 -188.4707 -159.1232 559754.6740 3.8699 3.9278 PRESSURE: 3691200 -47.4391 -3.75683 135.376 -3.75727 106.856 62.3616 135.377 62.3633 -109.747 GPRESSURE: 3691200 2.12418 7.38905 24.689 10.9931 105.02 91.2284 210.315 146.002 -73.8619 PRESSAVG: 3691200 7.83455 -4.16847 -65.167 -4.16845 -27.599 4.42346 -65.167 4.42356 26.7533 GPRESSAVG: 3691200 8.14207 -4.19672 -64.5246 -1.8376 -27.7853 6.40762 -66.3469 5.68363 26.937 TIMING: 3691200 CPU: 11106, 0.00298002/step Wall: 11106, 0.00298002/step, 1.0834 hours remaining, 208.835938 MB of memory in use. ENERGY: 3691200 704.3048 2146.2736 1952.4613 107.8623 -205692.6860 17744.7336 0.0000 0.0000 34285.5232 -148751.5271 299.4240 -183037.0503 -148663.7396 300.0619 -16.7765 11.0941 560293.9555 2.3296 2.4312 PRESSURE: 3691400 39.0304 -20.8746 107.311 -20.8738 -51.0043 -33.6182 107.312 -33.6177 -148.367 GPRESSURE: 3691400 111.897 -87.1331 117.569 -42.4449 -78.6132 35.3805 139.086 20.7599 -103.146 PRESSAVG: 3691400 26.2822 -12.2458 8.36614 -12.2458 -47.0439 12.1767 8.36607 12.1767 -3.36581 GPRESSAVG: 3691400 26.2247 -13.9432 6.3354 -13.0087 -48.1667 13.6345 11.4503 11.6469 -2.20899 TIMING: 3691400 CPU: 11106.6, 0.00296454/step Wall: 11106.6, 0.00296454/step, 1.07761 hours remaining, 208.835938 MB of memory in use. ENERGY: 3691400 716.1316 2128.2312 1962.8550 107.2503 -205671.6742 17625.4766 0.0000 0.0000 34213.9579 -148917.7716 298.7990 -183131.7295 -148821.8152 300.0644 -53.4470 -23.2874 559189.7550 -8.0425 -8.0503 PRESSURE: 3691600 121.922 45.4958 9.04302 45.4945 -184.781 -2.97474 9.04182 -2.97574 -356.111 GPRESSURE: 3691600 189.876 34.4814 -8.60188 74.6676 -160.216 -30.5144 45.8192 -47.1153 -339.483 PRESSAVG: 3691600 46.9391 -13.1559 20.1961 -13.1559 -67.9514 37.3989 20.1961 37.3989 24.3517 GPRESSAVG: 3691600 46.918 -12.4129 22.4929 -12.5871 -68.0582 35.8303 17.4526 38.0501 24.1252 TIMING: 3691600 CPU: 11107.2, 0.00295632/step Wall: 11107.2, 0.00295632/step, 1.07446 hours remaining, 208.835938 MB of memory in use. ENERGY: 3691600 754.8183 2105.1458 1907.4989 114.2644 -205710.6775 17753.3650 0.0000 0.0000 34138.8449 -148936.7401 298.1430 -183075.5850 -148839.2568 299.8304 -139.6566 -103.2744 558785.4432 1.1131 0.9950 PRESSURE: 3691800 -76.5925 -39.9283 77.257 -39.9275 -181.523 124.46 77.2579 124.46 -9.17202 GPRESSURE: 3691800 -67.4897 0.469083 -10.4328 -21.2612 -115.22 104.629 109.633 74.2615 0.247258 PRESSAVG: 3691800 41.0699 -15.6249 13.6664 -15.6247 -45.475 -10.2314 13.6665 -10.2315 18.0226 GPRESSAVG: 3691800 42.0486 -15.1019 13.3777 -15.8615 -45.8218 -11.9046 15.4745 -9.75924 17.0363 TIMING: 3691800 CPU: 11107.8, 0.00298301/step Wall: 11107.8, 0.00298301/step, 1.08399 hours remaining, 208.835938 MB of memory in use. ENERGY: 3691800 743.5425 2115.4561 1956.3302 109.9913 -205797.1008 17583.5598 0.0000 0.0000 34440.5160 -148847.7049 300.7776 -183288.2209 -148758.3306 300.0187 -89.0957 -60.8210 557038.3654 4.5392 4.4210 PRESSURE: 3692000 -13.2201 95.7181 -10.8288 95.7176 -88.956 84.5528 -10.8285 84.5524 -68.8152 GPRESSURE: 3692000 -19.9951 34.4116 -23.5041 115.26 -45.0958 160.199 -68.1855 67.7153 -17.2173 PRESSAVG: 3692000 20.4691 -55.4862 38.3086 -55.4863 -14.4884 38.8511 38.3085 38.8511 45.5953 GPRESSAVG: 3692000 18.9389 -54.6953 36.618 -55.0165 -12.042 41.34 37.3988 36.8305 45.2851 TIMING: 3692000 CPU: 11108.4, 0.00296905/step Wall: 11108.4, 0.00296905/step, 1.07875 hours remaining, 208.835938 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: 3692000 734.2017 2084.9836 1955.4948 121.4583 -205957.6637 17504.9058 0.0000 0.0000 34715.9882 -148840.6313 303.1834 -183556.6195 -148750.6997 300.9487 -56.9971 -27.4361 555122.5491 17.1920 17.3940 PRESSURE: 3692200 172.381 117.9 216.243 117.899 31.8984 50.4162 216.242 50.4165 181.872 GPRESSURE: 3692200 145.515 146.565 173.572 93.6378 161.656 77.5912 222.576 32.4379 175.908 PRESSAVG: 3692200 19.7881 34.3092 -14.9262 34.3092 -7.53478 24.7815 -14.9262 24.7815 -43.9355 GPRESSAVG: 3692200 19.3601 33.6933 -14.6083 33.3277 -7.1151 24.4765 -13.8114 26.806 -43.4892 TIMING: 3692200 CPU: 11109, 0.00296549/step Wall: 11109, 0.00296549/step, 1.0773 hours remaining, 208.835938 MB of memory in use. ENERGY: 3692200 722.0394 2093.8500 1931.2551 117.4353 -206024.0204 17978.6201 0.0000 0.0000 34229.9042 -148950.9164 298.9383 -183180.8205 -148856.9654 300.1421 128.7172 161.0267 555994.9026 -10.5607 -10.4147 LDB: ============= START OF LOAD BALANCING ============== 11112.5 LDB: ============== END OF LOAD BALANCING =============== 11112.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11112.5 LDB: ============= START OF LOAD BALANCING ============== 11112.8 LDB: Largest compute 4802 load 0.030586 is 25.9% of average load 0.118210 LDB: Average compute 0.001718 is 1.5% of average load 0.118210 LDB: TIME 11112.8 LOAD: AVG 0.11821 MAX 0.209877 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.914 MB LDB: TIME 11112.8 LOAD: AVG 0.11821 MAX 0.209877 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.117 MB LDB: TIME 11112.8 LOAD: AVG 0.11821 MAX 0.209877 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.117 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11112.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11112.8 PRESSURE: 3692400 -135.652 -65.7614 135.023 -65.761 59.9418 77.7073 135.022 77.7062 -124.398 GPRESSURE: 3692400 -104.288 6.82813 0.0995532 -130.456 49.3485 76.7133 181.448 82.0904 -45.868 PRESSAVG: 3692400 -14.4484 0.109125 11.5909 0.108961 8.73181 -36.2126 11.5908 -36.2127 -16.5293 GPRESSAVG: 3692400 -11.7749 1.63696 10.212 -0.311401 5.78796 -36.815 10.8984 -37.4256 -16.2287 TIMING: 3692400 CPU: 11109.6, 0.00304819/step Wall: 11109.6, 0.00304819/step, 1.10717 hours remaining, 209.714844 MB of memory in use. ENERGY: 3692400 758.7347 2107.1441 1944.8282 117.1678 -205821.7540 17598.2651 0.0000 0.0000 34406.8848 -148888.7294 300.4839 -183295.6141 -148793.2720 299.8684 -66.7028 -33.6025 556576.9395 -7.4153 -7.4052 PRESSURE: 3692600 -57.2981 -154.574 -58.6935 -154.573 -200.442 -212.171 -58.6927 -212.17 -217.08 GPRESSURE: 3692600 -15.3422 -190.268 -80.6976 -126.813 -210.008 -159.427 -70.3415 -219.665 -165.049 PRESSAVG: 3692600 68.7354 -68.244 46.9116 -68.2439 39.2116 -42.9212 46.9117 -42.9212 -67.3421 GPRESSAVG: 3692600 66.7995 -69.7167 47.8211 -65.1688 40.8607 -42.1369 46.0227 -44.2267 -67.4617 TIMING: 3692600 CPU: 11110.2, 0.00298576/step Wall: 11110.2, 0.00298576/step, 1.08433 hours remaining, 209.785156 MB of memory in use. ENERGY: 3692600 762.3698 2145.5599 1947.2644 113.0549 -205622.6683 17479.3507 0.0000 0.0000 34444.0838 -148730.9848 300.8088 -183175.0686 -148638.6341 300.5081 -158.2732 -130.1331 557013.9945 13.5349 13.3995 PRESSURE: 3692800 -143.071 -132.512 86.9051 -132.512 -150.826 -140.701 86.906 -140.703 -179.816 GPRESSURE: 3692800 -96.7046 -123.395 88.5773 -140.913 -93.9353 -144.463 -11.4502 -63.1879 -169.075 PRESSAVG: 3692800 45.0765 -54.8093 24.3504 -54.8093 -30.9531 -70.8818 24.3505 -70.8818 -19.7055 GPRESSAVG: 3692800 45.132 -52.8755 26.3704 -57.4247 -31.0139 -71.6124 23.9438 -68.8752 -19.3123 TIMING: 3692800 CPU: 11110.8, 0.00298682/step Wall: 11110.8, 0.00298682/step, 1.08455 hours remaining, 209.785156 MB of memory in use. ENERGY: 3692800 746.0706 2082.2251 1960.7609 121.5223 -205580.1867 17483.9895 0.0000 0.0000 34549.6720 -148635.9463 301.7309 -183185.6183 -148542.9346 300.6676 -157.9043 -119.9049 556706.2953 -1.8607 -1.7314 PRESSURE: 3693000 264.365 -52.0906 -27.7217 -52.0902 118.385 -6.60777 -27.7215 -6.60905 152.113 GPRESSURE: 3693000 310.88 -21.8945 -18.2474 -60.2927 155.78 -25.1335 38.1666 -20.2178 147.79 PRESSAVG: 3693000 10.585 -18.4082 -0.148733 -18.4083 16.8377 19.9058 -0.1488 19.9057 -38.65 GPRESSAVG: 3693000 10.8519 -18.9372 -2.74376 -18.8239 16.605 21.6682 1.11592 17.4724 -38.6954 TIMING: 3693000 CPU: 11111.4, 0.00298505/step Wall: 11111.4, 0.00298505/step, 1.08374 hours remaining, 209.785156 MB of memory in use. ENERGY: 3693000 764.5911 2047.9262 1973.0563 124.1258 -205763.3342 17883.8459 0.0000 0.0000 34377.0277 -148592.7612 300.2231 -182969.7889 -148494.5477 301.1682 178.2877 204.8165 557772.9864 -3.7424 -3.7462 PRESSURE: 3693200 -197.986 96.451 -54.9073 96.4502 -126.112 -88.8973 -54.9077 -88.8982 -150.396 GPRESSURE: 3693200 -143.24 44.7841 -56.8142 25.47 -154.54 -84.659 -79.7197 -163.081 -83.691 PRESSAVG: 3693200 48.3559 -40.9257 8.27768 -40.9257 -10.9792 8.50946 8.27771 8.50948 -24.8497 GPRESSAVG: 3693200 48.4935 -40.2472 11.4349 -39.9664 -12.1935 5.648 6.62386 10.7366 -23.4527 TIMING: 3693200 CPU: 11112, 0.00298277/step Wall: 11112, 0.00298277/step, 1.08275 hours remaining, 209.785156 MB of memory in use. ENERGY: 3693200 731.4171 2086.0789 1965.2959 107.0852 -205626.3896 17624.2872 0.0000 0.0000 34338.6569 -148773.5683 299.8880 -183112.2252 -148675.7743 300.5215 -158.1646 -127.1570 559485.9472 4.1756 4.2824 PRESSURE: 3693400 264.405 -107.247 -7.76467 -107.248 104.234 133.166 -7.76331 133.166 44.2679 GPRESSURE: 3693400 311.999 -140.612 55.4802 10.3933 81.8127 229.636 -22.9286 81.7472 114.009 PRESSAVG: 3693400 -36.9591 -5.30548 -12.57 -5.30556 25.1585 41.7254 -12.57 41.7254 -22.002 GPRESSAVG: 3693400 -37.5576 -6.60826 -13.2576 -4.14372 25.858 43.569 -12.8228 41.5189 -22.1698 TIMING: 3693400 CPU: 11112.6, 0.00299119/step Wall: 11112.6, 0.00299119/step, 1.08564 hours remaining, 209.785156 MB of memory in use. ENERGY: 3693400 759.4221 2041.3128 2002.4840 116.0974 -206494.5425 18153.6867 0.0000 0.0000 34486.5761 -148934.9634 301.1798 -183421.5395 -148842.3326 299.8783 137.6359 169.2737 557854.3093 -11.2675 -11.2898 PRESSURE: 3693600 95.0154 171.825 -69.0201 171.826 78.988 -0.146838 -69.0222 -0.146383 214.984 GPRESSURE: 3693600 182.417 271.593 -3.39363 186.52 158.339 15.0467 -73.5263 32.7287 153.894 PRESSAVG: 3693600 48.9056 19.3187 -26.9889 19.3186 -88.013 76.2281 -26.9889 76.228 34.9077 GPRESSAVG: 3693600 50.3038 20.3507 -28.7305 18.188 -88.2356 75.4188 -25.6841 76.7804 33.376 TIMING: 3693600 CPU: 11113.2, 0.00298368/step Wall: 11113.2, 0.00298368/step, 1.08274 hours remaining, 209.785156 MB of memory in use. ENERGY: 3693600 735.7614 2108.6784 1929.4797 119.1277 -206373.3708 18068.4852 0.0000 0.0000 34432.9698 -148978.8686 300.7117 -183411.8384 -148880.9873 300.7597 129.6623 164.8831 557798.9664 -1.3999 -1.5186 PRESSURE: 3693800 -174.073 105.002 95.5192 105.002 -54.3003 48.6568 95.519 48.6555 215.73 GPRESSURE: 3693800 -112.15 51.7546 43.4871 114.73 -12.105 3.9497 105.076 7.50808 216.313 PRESSAVG: 3693800 -50.3239 -38.4834 -18.411 -38.4834 32.508 41.9449 -18.411 41.9448 87.3179 GPRESSAVG: 3693800 -52.2092 -39.5085 -17.9667 -38.5072 33.573 43.3383 -18.5998 38.7397 87.7179 TIMING: 3693800 CPU: 11113.8, 0.00299248/step Wall: 11113.8, 0.00299248/step, 1.08577 hours remaining, 209.785156 MB of memory in use. ENERGY: 3693800 762.0527 2046.4620 1909.3594 104.6556 -206002.4419 17775.5833 0.0000 0.0000 34404.8191 -148999.5098 300.4658 -183404.3289 -148908.0827 299.3498 -4.2143 30.6858 557984.1808 23.1673 23.0272 PRESSURE: 3694000 -190.497 -109.052 44.3204 -109.052 273.028 -20.8707 44.3194 -20.8712 -204.247 GPRESSURE: 3694000 -143.318 -109.107 -84.827 -103.32 247.727 -19.3074 164.049 2.39519 -130.719 PRESSAVG: 3694000 8.09122 15.0895 28.8193 15.0896 0.220328 -54.3566 28.8192 -54.3566 -27.2159 GPRESSAVG: 3694000 8.35564 16.9688 30.5699 13.3038 0.0874714 -55.9366 27.2789 -51.4784 -27.5103 TIMING: 3694000 CPU: 11114.4, 0.00302611/step Wall: 11114.4, 0.00302611/step, 1.0978 hours remaining, 209.785156 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: 3694000 753.0318 2049.4833 1926.1394 106.3023 -205990.7361 17738.5752 0.0000 0.0000 34297.3134 -149119.8908 299.5270 -183417.2042 -149025.0545 299.0678 -40.5718 -8.7701 557357.2589 -6.3014 -6.3557 PRESSURE: 3694200 -56.3601 39.9802 45.2 39.9801 -103.444 175.91 45.2015 175.91 -76.4406 GPRESSURE: 3694200 -25.6971 11.2897 7.90687 81.6083 -19.0267 112.099 38.8086 201.56 -93.3591 PRESSAVG: 3694200 10.196 25.9094 27.1427 25.9094 6.8218 -8.18116 27.1426 -8.18128 32.5307 GPRESSAVG: 3694200 10.0856 25.4725 27.1954 29.9605 6.87357 -8.29159 26.8272 -6.70066 32.1978 TIMING: 3694200 CPU: 11115, 0.00295073/step Wall: 11115, 0.00295073/step, 1.0703 hours remaining, 209.785156 MB of memory in use. ENERGY: 3694200 725.1122 2106.8877 1904.7641 111.6870 -206201.5799 17751.6333 0.0000 0.0000 34288.4842 -149313.0113 299.4499 -183601.4955 -149216.0649 299.3003 -78.7481 -46.0276 557278.6077 16.5162 16.3856 PRESSURE: 3694400 37.4008 131.74 -106.649 131.742 55.8502 -93.9476 -106.65 -93.9465 -5.08871 GPRESSURE: 3694400 27.0169 92.1077 -114.878 201.698 137.038 -93.9799 11.1026 21.8363 31.2054 PRESSAVG: 3694400 -31.5596 -6.09162 7.21688 -6.09159 -10.1051 37.0719 7.21689 37.0718 50.1469 GPRESSAVG: 3694400 -32.1209 -7.03156 5.13423 -6.76813 -9.45823 37.8247 10.1564 36.0521 49.7088 TIMING: 3694400 CPU: 11115.6, 0.00297311/step Wall: 11115.6, 0.00297311/step, 1.07825 hours remaining, 209.785156 MB of memory in use. ENERGY: 3694400 744.0448 2091.0098 1926.0213 105.5825 -206084.4387 17792.4047 0.0000 0.0000 34385.6190 -149039.7567 300.2982 -183425.3757 -148944.6651 299.0919 29.3875 65.0867 556781.2639 2.8274 2.7099 PRESSURE: 3694600 20.6771 65.792 119.946 65.7924 4.01562 39.1671 119.947 39.166 87.3802 GPRESSURE: 3694600 104.659 27.3101 26.8446 30.189 3.77212 52.3981 116.707 -8.98204 107.412 PRESSAVG: 3694600 -6.03229 -2.6179 16.533 -2.61793 26.4122 -6.30307 16.5331 -6.30315 -4.91485 GPRESSAVG: 3694600 -5.04262 -2.42246 17.2384 -5.62466 25.923 -6.22287 13.7529 -6.70198 -4.88921 TIMING: 3694600 CPU: 11116.2, 0.00303195/step Wall: 11116.2, 0.00303195/step, 1.09942 hours remaining, 209.785156 MB of memory in use. ENERGY: 3694600 728.4272 2095.0408 1952.5020 114.4709 -205944.2216 17555.8740 0.0000 0.0000 34293.7844 -149204.1224 299.4961 -183497.9067 -149110.9661 299.2926 37.3577 71.9474 554706.7831 5.1550 5.3304 PRESSURE: 3694800 -28.1085 38.3557 29.2736 38.3558 30.4826 -155.436 29.2749 -155.437 165.357 GPRESSURE: 3694800 53.8235 21.057 81.7343 33.5403 76.5147 -212.826 -2.68403 -17.3509 138.936 PRESSAVG: 3694800 30.5337 -26.3071 -16.6052 -26.3071 23.7611 28.1935 -16.6053 28.1935 6.19938 GPRESSAVG: 3694800 29.5937 -28.3915 -16.3457 -23.2524 22.814 26.06 -14.6469 28.7654 7.6668 TIMING: 3694800 CPU: 11116.8, 0.00300207/step Wall: 11116.8, 0.00300207/step, 1.08842 hours remaining, 209.785156 MB of memory in use. ENERGY: 3694800 701.3159 2108.8413 1926.2373 108.6985 -206197.6958 17818.1673 0.0000 0.0000 34281.4943 -149252.9410 299.3888 -183534.4354 -149159.2961 299.8440 55.9105 89.7581 555459.4343 20.1647 20.0248 PRESSURE: 3695000 42.6459 -43.6037 61.6591 -43.6039 28.6271 97.7738 61.6612 97.7731 -14.3531 GPRESSURE: 3695000 33.8499 -75.533 -11.6419 -48.4452 21.0397 168.875 79.0026 143.627 87.5371 PRESSAVG: 3695000 -36.8591 -34.0984 85.7134 -34.0984 -3.31544 5.54409 85.7135 5.54409 13.0231 GPRESSAVG: 3695000 -37.6731 -32.7147 84.5327 -35.7571 -1.88659 7.59281 86.5855 3.57288 12.6909 TIMING: 3695000 CPU: 11117.4, 0.00298865/step Wall: 11117.4, 0.00298865/step, 1.08339 hours remaining, 209.785156 MB of memory in use. ENERGY: 3695000 760.3940 2141.7702 1928.6363 108.1508 -206256.1448 17865.7985 0.0000 0.0000 34245.2483 -149206.1467 299.0723 -183451.3950 -149121.3841 299.3263 18.9733 47.4756 556798.3281 -9.0505 -8.9563 PRESSURE: 3695200 -11.4332 -19.0793 -87.4175 -19.0783 49.2752 -40.5529 -87.4171 -40.5509 -441.638 GPRESSURE: 3695200 -21.5161 -1.3226 -9.08687 -61.8547 105.14 -117.954 -95.1576 -26.6189 -375.516 PRESSAVG: 3695200 -26.4015 -25.1323 -32.0985 -25.1322 66.2179 -19.6435 -32.0986 -19.6435 -20.8934 GPRESSAVG: 3695200 -25.1469 -24.0234 -29.1069 -23.8955 65.3723 -22.5882 -31.5026 -18.287 -20.7491 TIMING: 3695200 CPU: 11118, 0.00301012/step Wall: 11118, 0.00301012/step, 1.091 hours remaining, 209.785156 MB of memory in use. ENERGY: 3695200 751.0696 2075.2461 1945.1714 113.4156 -205913.2750 17665.6578 0.0000 0.0000 34235.5172 -149127.1974 298.9873 -183362.7147 -149037.5420 299.3673 -134.5986 -97.2976 558633.9036 6.3076 6.4921 PRESSURE: 3695400 -206.806 -55.0364 55.6528 -55.0358 48.0519 91.7341 55.6521 91.733 -44.3126 GPRESSURE: 3695400 -156.532 17.206 -18.9591 -100.544 1.3844 86.4713 32.1204 30.3293 34.0452 PRESSAVG: 3695400 7.50862 -12.5704 -51.4878 -12.5703 15.9093 -30.7448 -51.4879 -30.7449 2.263 GPRESSAVG: 3695400 8.77451 -13.1545 -54.6336 -11.993 16.4079 -28.9254 -51.4868 -31.9016 0.632514 TIMING: 3695400 CPU: 11118.6, 0.00297628/step Wall: 11118.6, 0.00297628/step, 1.07857 hours remaining, 209.785156 MB of memory in use. ENERGY: 3695400 777.0127 2071.5693 1958.3099 108.3259 -206298.1042 17827.2225 0.0000 0.0000 34314.6333 -149241.0306 299.6782 -183555.6639 -149139.8307 299.9659 -67.6888 -40.3674 557762.8959 8.5603 8.6050 PRESSURE: 3695600 -12.5573 139.123 -52.691 139.122 13.2349 -55.5446 -52.6918 -55.5457 206.723 GPRESSURE: 3695600 79.5997 176.855 20.4177 87.2516 -29.5497 12.2529 -50.0559 -30.5059 265.931 PRESSAVG: 3695600 29.044 21.4066 -20.4682 21.4065 4.18015 1.67883 -20.4682 1.67883 28.1226 GPRESSAVG: 3695600 28.9842 20.1083 -16.8421 21.1496 3.1168 1.96471 -22.378 3.68317 28.7089 TIMING: 3695600 CPU: 11119.2, 0.00297238/step Wall: 11119.2, 0.00297238/step, 1.07699 hours remaining, 209.785156 MB of memory in use. ENERGY: 3695600 756.7376 2070.7001 1948.8155 122.8593 -206004.0457 17855.0056 0.0000 0.0000 34114.3710 -149135.5565 297.9293 -183249.9275 -149039.4561 299.8908 69.1336 105.3269 556181.8105 20.4489 20.2700 PRESSURE: 3695800 238.303 3.43214 -103.886 3.43272 -106.109 45.8534 -103.885 45.8549 227.192 GPRESSURE: 3695800 321.735 -22.5302 -77.3213 35.1418 -79.4782 103.43 -146.752 76.4724 202.256 PRESSAVG: 3695800 36.7696 41.4493 -15.8792 41.4494 -49.1384 38.5784 -15.8793 38.5784 9.62452 GPRESSAVG: 3695800 35.1813 42.4301 -16.4765 42.1153 -48.3628 36.8594 -16.3044 38.6738 10.4655 TIMING: 3695800 CPU: 11119.8, 0.00298059/step Wall: 11119.8, 0.00298059/step, 1.0798 hours remaining, 209.785156 MB of memory in use. ENERGY: 3695800 699.2920 2056.0820 1913.9942 93.3747 -206143.8558 17796.0967 0.0000 0.0000 34355.1747 -149229.8415 300.0323 -183585.0162 -149129.9565 299.5626 119.7953 148.1710 556844.1525 -0.9148 -0.9053 PRESSURE: 3696000 29.3667 221.832 65.3887 221.833 -157.07 92.889 65.3885 92.8887 -78.5196 GPRESSURE: 3696000 73.7125 140.372 70.1354 208.461 -134.555 24.0078 69.4459 158.237 -48.5768 PRESSAVG: 3696000 9.90127 76.8032 -12.5157 76.8032 2.01151 10.7996 -12.5157 10.7997 1.36553 GPRESSAVG: 3696000 10.3443 76.8415 -13.0304 76.2543 2.49012 12.7463 -13.1196 10.7422 0.828579 TIMING: 3696000 CPU: 11120.4, 0.00295985/step Wall: 11120.4, 0.00295985/step, 1.07212 hours remaining, 209.785156 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: 3696000 768.5831 2058.6963 1902.8694 104.8224 -206212.6546 17765.7362 0.0000 0.0000 34210.6824 -149401.2649 298.7704 -183611.9473 -149303.1328 299.4251 -68.7411 -36.4732 557410.9015 4.4261 4.5543 PRESSURE: 3696200 61.0422 -68.0607 34.2227 -68.0623 -52.1663 56.1639 34.2232 56.1642 -17.9637 GPRESSURE: 3696200 146.506 -24.5983 14.0584 -51.2519 -78.1862 15.8922 59.9184 99.0179 17.0232 PRESSAVG: 3696200 -21.2173 42.1506 52.6854 42.1507 -4.57207 -47.0075 52.6854 -47.0074 29.8799 GPRESSAVG: 3696200 -21.3439 42.6729 52.2279 41.8591 -5.68058 -47.0247 52.8149 -47.2875 31.2954 TIMING: 3696200 CPU: 11121, 0.00298665/step Wall: 11121, 0.00298665/step, 1.08167 hours remaining, 209.785156 MB of memory in use. ENERGY: 3696200 693.7270 2102.0299 1944.2895 122.7485 -206601.2846 17860.7132 0.0000 0.0000 34370.1071 -149507.6693 300.1627 -183877.7765 -149416.4755 298.4466 -3.0293 28.4477 556852.3462 1.3635 1.4236 LDB: ============= START OF LOAD BALANCING ============== 11124.5 LDB: ============== END OF LOAD BALANCING =============== 11124.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11124.5 LDB: ============= START OF LOAD BALANCING ============== 11124.8 LDB: Largest compute 4802 load 0.031006 is 26.2% of average load 0.118298 LDB: Average compute 0.001708 is 1.4% of average load 0.118298 LDB: TIME 11124.8 LOAD: AVG 0.118298 MAX 0.209123 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.188 MB LDB: TIME 11124.8 LOAD: AVG 0.118298 MAX 0.209123 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.293 MB LDB: TIME 11124.8 LOAD: AVG 0.118298 MAX 0.209123 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.293 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11124.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11124.8 PRESSURE: 3696400 57.4504 137.514 83.7186 137.516 -304.432 -71.5481 83.719 -71.5482 137.973 GPRESSURE: 3696400 103.424 193.841 82.0956 28.52 -271.075 -107.472 192.317 -84.8261 150.911 PRESSAVG: 3696400 10.9096 37.0525 104.797 37.0524 -53.1744 29.2122 104.797 29.2122 57.5 GPRESSAVG: 3696400 10.2822 36.3098 104.514 36.9669 -52.9594 30.6705 108.058 27.8034 57.9338 TIMING: 3696400 CPU: 11121.6, 0.00304269/step Wall: 11121.6, 0.00304269/step, 1.10179 hours remaining, 208.570312 MB of memory in use. ENERGY: 3696400 717.6118 2115.1676 1986.2712 111.4884 -206484.0290 17747.0345 0.0000 0.0000 34216.5077 -149589.9478 298.8213 -183806.4555 -149491.0576 298.3023 -36.3363 -5.5798 555884.6967 5.0784 5.0855 PRESSURE: 3696600 -165.006 4.92098 82.3729 4.92061 -214.969 -81.6485 82.3713 -81.6493 -90.139 GPRESSURE: 3696600 -113.995 -6.01214 105.562 -45.0786 -248.414 -99.2704 126.104 -60.7175 -10.6873 PRESSAVG: 3696600 10.5544 25.8584 15.2851 25.8584 -66.6705 -20.4712 15.2853 -20.4713 63.8932 GPRESSAVG: 3696600 12.0381 23.6186 16.2426 25.2179 -66.4757 -22.1003 13.0838 -19.1725 62.1863 TIMING: 3696600 CPU: 11122.2, 0.00297269/step Wall: 11122.2, 0.00297269/step, 1.07628 hours remaining, 208.570312 MB of memory in use. ENERGY: 3696600 754.3181 2108.1385 1956.5651 110.0634 -206266.5183 17769.8888 0.0000 0.0000 34166.7141 -149400.8303 298.3864 -183567.5444 -149307.4629 298.9275 -156.7047 -124.3654 557795.7923 2.5924 2.5829 PRESSURE: 3696800 -64.5226 99.8325 -23.7703 99.8337 -178.765 84.9862 -23.7702 84.9882 -251.68 GPRESSURE: 3696800 -45.5362 69.4419 -56.5383 23.0223 -144.106 97.2908 18.0143 89.4746 -205.582 PRESSAVG: 3696800 -5.39181 25.5836 30.7636 25.5835 107.201 -32.2077 30.7635 -32.2077 -85.4541 GPRESSAVG: 3696800 -6.59698 29.777 29.6883 23.6596 108.263 -32.7276 30.5171 -32.0448 -85.2243 TIMING: 3696800 CPU: 11122.8, 0.00298266/step Wall: 11122.8, 0.00298266/step, 1.07972 hours remaining, 208.570312 MB of memory in use. ENERGY: 3696800 773.2074 2065.1456 1971.4863 106.6882 -206339.6231 17778.7179 0.0000 0.0000 34032.5637 -149611.8140 297.2148 -183644.3777 -149513.3737 298.2716 -164.9894 -131.7413 558429.0422 5.4516 5.4807 PRESSURE: 3697000 -183.918 -159.487 129.749 -159.487 -187.145 -31.645 129.75 -31.6458 -150.889 GPRESSURE: 3697000 -168.872 -213.025 134.615 -180.247 -110.397 4.24988 127.608 -0.221816 -143.22 PRESSAVG: 3697000 48.4388 32.3559 2.8452 32.356 47.9946 -27.8065 2.84519 -27.8065 -48.1653 GPRESSAVG: 3697000 48.3529 31.378 2.99327 32.9646 48.7815 -28.4564 3.14342 -28.7641 -48.9051 TIMING: 3697000 CPU: 11123.4, 0.00298743/step Wall: 11123.4, 0.00298743/step, 1.08128 hours remaining, 208.570312 MB of memory in use. ENERGY: 3697000 796.0307 2037.5143 1957.6287 119.6595 -206396.2117 17677.2626 0.0000 0.0000 34316.8757 -149491.2402 299.6978 -183808.1159 -149392.4832 298.3075 -173.9841 -140.8297 557310.2544 16.0894 16.0764 PRESSURE: 3697200 -326.98 -92.7967 -128.987 -92.7974 32.4984 41.704 -128.987 41.7037 5.0356 GPRESSURE: 3697200 -288.745 -11.7393 -95.881 -146.093 44.6088 -23.3955 -134.755 28.2813 44.9799 PRESSAVG: 3697200 -75.07 9.97792 56.8491 9.97797 3.22541 11.5124 56.8492 11.5124 43.2679 GPRESSAVG: 3697200 -75.5951 9.40559 57.8714 11.9674 2.64834 13.3112 56.7384 10.8203 43.961 TIMING: 3697200 CPU: 11123.9, 0.00295835/step Wall: 11123.9, 0.00295835/step, 1.0706 hours remaining, 208.570312 MB of memory in use. ENERGY: 3697200 765.0444 2054.4550 1932.2026 118.1918 -206476.3935 17853.0160 0.0000 0.0000 34224.1148 -149529.3689 298.8877 -183753.4837 -149421.0766 298.1694 -96.4819 -66.3856 557220.1159 -9.5256 -9.6619 PRESSURE: 3697400 82.9831 -98.0574 27.5218 -98.0568 -138.445 33.497 27.5219 33.4964 149.182 GPRESSURE: 3697400 128.206 -91.2961 -2.08494 -118.072 -86.0995 34.1906 68.6216 96.768 146.998 PRESSAVG: 3697400 -40.6092 -1.34659 21.547 -1.34657 37.9538 3.46116 21.5471 3.46103 -3.66811 GPRESSAVG: 3697400 -40.3537 -1.52554 20.8338 -1.58729 39.7111 2.54195 22.315 2.72054 -5.4355 TIMING: 3697400 CPU: 11124.5, 0.00299223/step Wall: 11124.5, 0.00299223/step, 1.08269 hours remaining, 208.570312 MB of memory in use. ENERGY: 3697400 772.3990 2055.3732 1973.6589 104.7722 -206395.1622 17896.8470 0.0000 0.0000 34136.0146 -149456.0973 298.1183 -183592.1119 -149357.4540 298.4373 31.2399 63.0347 556259.1107 -2.1078 -2.0261 PRESSURE: 3697600 92.0159 -147.468 29.8673 -147.466 -67.4961 31.7433 29.8665 31.7453 -91.0324 GPRESSURE: 3697600 81.4577 -165.113 75.0343 -140.556 4.2599 22.4439 41.4425 76.5105 -58.5449 PRESSAVG: 3697600 55.4772 -34.9298 19.9756 -34.9298 29.0099 -2.86394 19.9756 -2.86403 -38.2244 GPRESSAVG: 3697600 56.2731 -34.4649 21.6779 -33.138 25.1244 -3.7954 20.4994 0.645397 -35.5853 TIMING: 3697600 CPU: 11125.1, 0.00300402/step Wall: 11125.1, 0.00300402/step, 1.08679 hours remaining, 208.570312 MB of memory in use. ENERGY: 3697600 746.5036 2071.9446 1935.2379 107.3746 -206148.0507 17699.7530 0.0000 0.0000 34092.4648 -149494.7722 297.7380 -183587.2370 -149394.5918 298.7829 -22.1708 9.0576 556360.5516 15.4209 15.2707 PRESSURE: 3697800 -152.453 40.7501 -8.86823 40.75 82.6862 57.607 -8.86891 57.6062 -237.291 GPRESSURE: 3697800 -71.7771 47.1171 -21.9899 44.5876 120.962 4.64455 27.0555 103.859 -260.382 PRESSAVG: 3697800 43.1465 6.83057 39.6042 6.83058 50.4981 2.06374 39.6043 2.06381 -59.9227 GPRESSAVG: 3697800 42.2664 6.786 38.4056 4.47903 53.8133 1.93793 39.6386 1.16072 -62.4421 TIMING: 3697800 CPU: 11125.7, 0.00299004/step Wall: 11125.7, 0.00299004/step, 1.08156 hours remaining, 208.570312 MB of memory in use. ENERGY: 3697800 744.8327 2076.3480 1933.5560 102.7381 -206496.9246 17921.9108 0.0000 0.0000 34378.5112 -149339.0278 300.2361 -183717.5390 -149237.9314 299.1423 -102.3525 -70.3991 559483.1110 11.2406 11.2125 PRESSURE: 3698000 -167.969 -41.4827 -103.912 -41.4821 226.86 231.254 -103.913 231.255 -325.089 GPRESSURE: 3698000 -92.5056 -200.115 25.0709 23.9181 144.227 282.171 -156.826 180.257 -222.744 PRESSAVG: 3698000 -34.2021 -44.6253 -26.647 -44.6253 37.2976 -3.30975 -26.647 -3.30972 12.7959 GPRESSAVG: 3698000 -33.755 -43.5444 -26.4179 -46.3651 35.6477 -2.36867 -27.6527 -3.42175 13.8349 TIMING: 3698000 CPU: 11126.3, 0.00296495/step Wall: 11126.3, 0.00296495/step, 1.07232 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: 3698000 730.9768 2035.5634 1958.3527 119.4930 -206486.8356 17829.5309 0.0000 0.0000 34277.3832 -149535.5356 299.3529 -183812.9187 -149433.3746 298.6142 -88.7325 -57.0074 558174.8027 5.2971 5.2425 PRESSURE: 3698200 -62.4067 -127.231 -35.6324 -127.229 166.412 93.067 -35.6316 93.0669 -327.682 GPRESSURE: 3698200 -25.3004 -129.907 -9.01929 -120.638 196.062 162.218 -13.5466 113.422 -300.613 PRESSAVG: 3698200 -5.04676 -8.51763 7.99064 -8.51761 21.8351 16.9032 7.99069 16.9033 -23.3953 GPRESSAVG: 3698200 -5.8012 -9.47665 6.92196 -6.99432 22.5865 16.4006 8.19376 16.8394 -23.2222 TIMING: 3698200 CPU: 11126.9, 0.00297723/step Wall: 11126.9, 0.00297723/step, 1.0766 hours remaining, 208.570312 MB of memory in use. ENERGY: 3698200 763.5072 2071.3376 1941.3033 120.1097 -206467.1039 17834.6552 0.0000 0.0000 34256.1006 -149480.0903 299.1670 -183736.1909 -149379.2321 298.5382 -74.5588 -43.2840 560460.2431 -2.2023 -2.1456 PRESSURE: 3698400 -192.714 -71.7674 -8.5735 -71.7679 -91.6558 122.653 -8.57408 122.651 -154.104 GPRESSURE: 3698400 -183.544 0.311731 35.3714 1.724 -34.2427 120.259 13.7176 63.5461 -107.977 PRESSAVG: 3698400 -4.46872 -5.3954 22.5994 -5.39545 -29.3027 -24.9513 22.5994 -24.9514 45.9875 GPRESSAVG: 3698400 -4.43211 -5.77114 22.9726 -6.29597 -29.3627 -25.9954 23.2889 -22.4828 46.4485 TIMING: 3698400 CPU: 11127.5, 0.00297023/step Wall: 11127.5, 0.00297023/step, 1.0739 hours remaining, 208.570312 MB of memory in use. ENERGY: 3698400 743.0823 2128.8136 1948.7305 120.2996 -206103.9670 17690.0159 0.0000 0.0000 34237.3623 -149235.6628 299.0034 -183473.0251 -149146.7166 298.5449 -146.1580 -108.5878 558160.1622 4.0720 4.2179 PRESSURE: 3698600 143.97 4.2956 -28.6317 4.29616 -11.8999 -92.7487 -28.6317 -92.7501 6.72043 GPRESSURE: 3698600 120.464 -53.0419 -45.5699 29.7208 67.5899 -3.03685 -27.2943 -91.6684 57.8658 PRESSAVG: 3698600 1.81531 44.6382 28.9393 44.6382 -30.0643 14.9017 28.9394 14.9017 50.9411 GPRESSAVG: 3698600 1.18055 45.2245 29.0897 45.9864 -29.4732 17.8698 30.0143 14.1468 50.3706 TIMING: 3698600 CPU: 11128.1, 0.00297013/step Wall: 11128.1, 0.00297013/step, 1.0737 hours remaining, 208.570312 MB of memory in use. ENERGY: 3698600 712.6097 2092.5953 1947.0614 101.3779 -206134.2265 17830.8171 0.0000 0.0000 34168.9600 -149280.8051 298.4060 -183449.7651 -149190.4756 298.9711 46.2636 81.9733 558022.4442 7.5641 7.3593 PRESSURE: 3698800 -66.9066 54.8069 -4.12665 54.8054 1.08595 -123.948 -4.12613 -123.948 -94.6295 GPRESSURE: 3698800 -24.7475 -37.0661 -2.21866 126.794 -56.3767 -120.206 -21.5566 -119.882 7.08324 PRESSAVG: 3698800 -0.540957 18.7748 -5.01895 18.7748 15.9665 -19.6447 -5.01889 -19.6447 -16.8863 GPRESSAVG: 3698800 -0.541108 18.8674 -2.60011 17.0878 14.8137 -18.4202 -5.84025 -23.2436 -15.8993 TIMING: 3698800 CPU: 11128.7, 0.00297964/step Wall: 11128.7, 0.00297964/step, 1.07697 hours remaining, 208.570312 MB of memory in use. ENERGY: 3698800 715.3345 2108.4221 1954.6838 129.9582 -206235.6063 17838.2048 0.0000 0.0000 34293.3412 -149195.6616 299.4923 -183489.0029 -149107.2559 299.4828 -53.4834 -24.6803 558308.4241 -0.4869 -0.5422 PRESSURE: 3699000 224.49 -233.539 9.95792 -233.539 -156.653 -116.916 9.95785 -116.913 78.4477 GPRESSURE: 3699000 257.298 -244.313 23.8373 -216.237 -96.8834 -164.117 -42.1947 -106.576 73.6502 PRESSAVG: 3699000 -48.4788 36.5589 25.9801 36.5587 27.0468 -43.8095 25.98 -43.8095 5.0458 GPRESSAVG: 3699000 -46.8906 36.3585 24.6737 38.5495 25.4822 -46.0984 25.0698 -42.6232 5.84397 TIMING: 3699000 CPU: 11129.3, 0.00295671/step Wall: 11129.3, 0.00295671/step, 1.06852 hours remaining, 208.570312 MB of memory in use. ENERGY: 3699000 757.8304 2058.2201 1917.1921 103.8996 -206128.8773 17627.5651 0.0000 0.0000 34357.8134 -149306.3567 300.0553 -183664.1701 -149212.6973 299.5177 48.7616 78.0215 556364.5909 -5.4621 -5.1882 PRESSURE: 3699200 154.058 29.2471 103.538 29.2471 11.2281 -20.9509 103.537 -20.9512 20.3744 GPRESSURE: 3699200 182.473 47.3172 62.122 -39.3671 19.1259 12.8942 39.413 -64.6016 82.912 PRESSAVG: 3699200 -3.61009 -16.8562 14.644 -16.8563 45.3393 0.211807 14.6439 0.211694 -2.78762 GPRESSAVG: 3699200 -4.34194 -16.6094 14.9144 -19.1611 46.5839 1.58068 15.4209 1.75063 -3.0422 TIMING: 3699200 CPU: 11129.9, 0.00296016/step Wall: 11129.9, 0.00296016/step, 1.0696 hours remaining, 208.570312 MB of memory in use. ENERGY: 3699200 733.7987 2038.0296 1961.0713 110.6608 -206314.9283 17853.4708 0.0000 0.0000 34265.0772 -149352.8199 299.2454 -183617.8971 -149261.3744 299.2872 61.8869 94.8370 556338.5336 12.9805 13.0666 PRESSURE: 3699400 -350.981 111.839 52.9603 111.838 -181.869 25.6375 52.9603 25.6378 -27.5304 GPRESSURE: 3699400 -296.61 71.7967 97.3441 175.927 -139.034 42.2303 48.3747 38.9533 -12.7258 PRESSAVG: 3699400 -65.6174 8.91129 -17.0251 8.91122 55.981 39.2783 -17.025 39.2784 8.5256 GPRESSAVG: 3699400 -65.4037 7.61276 -17.8368 9.20073 55.6106 38.2965 -18.2618 39.2008 8.25197 TIMING: 3699400 CPU: 11130.5, 0.00296663/step Wall: 11130.5, 0.00296663/step, 1.07178 hours remaining, 208.570312 MB of memory in use. ENERGY: 3699400 739.5245 2067.4483 1934.7246 116.8575 -205789.8765 17474.3445 0.0000 0.0000 34227.3259 -149229.6511 298.9158 -183456.9770 -149130.5572 298.5792 -186.7936 -149.4564 558240.9305 -0.3703 -0.5137 PRESSURE: 3699600 -237.511 -16.919 -79.368 -16.9185 264.816 -116.951 -79.3676 -116.95 -12.9403 GPRESSURE: 3699600 -151.93 -42.0922 -23.868 -14.754 259.478 -54.9951 -143.021 -89.3653 2.06896 PRESSAVG: 3699600 -90.0639 29.0137 -42.0313 29.0137 24.3321 -23.346 -42.0313 -23.3461 67.4003 GPRESSAVG: 3699600 -90.462 28.7344 -41.6154 28.9792 24.2241 -24.2425 -41.1846 -23.6708 67.9845 TIMING: 3699600 CPU: 11131.1, 0.00296875/step Wall: 11131.1, 0.00296875/step, 1.07238 hours remaining, 208.570312 MB of memory in use. ENERGY: 3699600 730.5190 2081.2586 1928.7238 113.0317 -206186.1910 17849.9764 0.0000 0.0000 34284.4935 -149198.1880 299.4150 -183482.6815 -149100.6996 298.7933 4.7884 36.5390 557421.3000 0.5561 0.5822 PRESSURE: 3699800 -167.196 48.8424 121.104 48.8416 140.971 -142.709 121.104 -142.711 26.4966 GPRESSURE: 3699800 -162.697 27.8294 88.0589 56.0673 207.31 -176.246 129.901 -111.949 40.8054 PRESSAVG: 3699800 -54.2186 14.8175 -2.88332 14.8174 12.1318 36.2143 -2.8833 36.2144 65.9619 GPRESSAVG: 3699800 -54.6957 17.0604 -4.8106 14.0198 13.0978 38.6496 -1.55098 33.8693 65.0334 TIMING: 3699800 CPU: 11131.7, 0.00296979/step Wall: 11131.7, 0.00296979/step, 1.07259 hours remaining, 208.570312 MB of memory in use. ENERGY: 3699800 799.4560 2078.5996 1935.9079 106.5438 -206123.9109 17763.5846 0.0000 0.0000 34251.0735 -149188.7455 299.1231 -183439.8190 -149098.9198 299.6661 0.0906 28.4728 556455.5467 7.9583 7.8118 PRESSURE: 3700000 18.5398 -25.132 144.818 -25.1318 -3.50013 19.0598 144.817 19.0606 -133.789 GPRESSURE: 3700000 51.3893 20.1672 167.726 -32.7133 54.7988 66.014 78.5583 35.7168 -139.224 PRESSAVG: 3700000 -19.4339 -44.2086 54.9987 -44.2086 28.8263 0.481799 54.9987 0.48182 -41.9146 GPRESSAVG: 3700000 -18.946 -46.2738 56.5542 -43.743 28.6924 -1.41656 51.5496 3.16437 -41.9435 TIMING: 3700000 CPU: 11132.3, 0.00299412/step Wall: 11132.3, 0.00299411/step, 1.08121 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: 3700000 774.7510 2101.3751 1943.6267 122.4146 -206415.9713 17816.3738 0.0000 0.0000 34277.9337 -149379.4964 299.3577 -183657.4301 -149279.5763 299.0299 -39.5832 -11.0119 555447.5610 -10.8407 -10.7324 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3700000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 3700000 WRITING COORDINATES TO RESTART FILE AT STEP 3700000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3700200 51.701 -159.589 24.1524 -159.588 -77.4637 168.377 24.1545 168.377 -79.96 GPRESSURE: 3700200 74.1841 -132.019 -0.349113 -148.628 -70.8132 211.446 14.0108 135.161 -8.90741 PRESSAVG: 3700200 60.5816 -44.845 30.2621 -44.8449 -19.8778 40.0486 30.2622 40.0486 -16.3751 GPRESSAVG: 3700200 60.9853 -44.0809 30.6985 -45.3365 -21.0921 40.1833 31.3148 37.8352 -15.6507 TIMING: 3700200 CPU: 11132.9, 0.00305892/step Wall: 11132.9, 0.00305892/step, 1.10444 hours remaining, 208.570312 MB of memory in use. ENERGY: 3700200 744.6363 2081.5128 1940.8618 101.1169 -206093.2678 17770.2872 0.0000 0.0000 34331.4150 -149123.4377 299.8248 -183454.8527 -149028.5560 299.8102 -35.2409 -1.8455 557400.5305 8.1095 8.0808 LDB: ============= START OF LOAD BALANCING ============== 11136.4 LDB: ============== END OF LOAD BALANCING =============== 11136.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11136.4 LDB: ============= START OF LOAD BALANCING ============== 11136.7 LDB: Largest compute 4802 load 0.031068 is 26.3% of average load 0.118268 LDB: Average compute 0.001715 is 1.5% of average load 0.118268 LDB: TIME 11136.7 LOAD: AVG 0.118268 MAX 0.210608 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.555 MB LDB: TIME 11136.7 LOAD: AVG 0.118268 MAX 0.210608 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.758 MB LDB: TIME 11136.7 LOAD: AVG 0.118268 MAX 0.210608 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.758 MB LDB: ============== END OF LOAD BALANCING =============== 11136.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11136.7 PRESSURE: 3700400 20.4114 -223.486 -100.982 -223.488 221.662 210.826 -100.981 210.828 32.1237 GPRESSURE: 3700400 62.9033 -238.961 -112.607 -188.983 234.858 199.24 -95.3998 155.752 77.1423 PRESSAVG: 3700400 1.03523 -26.5588 6.26778 -26.5588 -2.39607 78.6635 6.2678 78.6634 32.3226 GPRESSAVG: 3700400 -0.466796 -25.6294 5.90247 -24.3095 -1.37785 76.5219 6.06038 79.8759 32.3755 TIMING: 3700400 CPU: 11133.5, 0.00302493/step Wall: 11133.5, 0.00302493/step, 1.092 hours remaining, 209.457031 MB of memory in use. ENERGY: 3700400 731.8574 2034.7139 1949.9419 105.0538 -206055.1402 17784.2196 0.0000 0.0000 34462.0871 -148987.2665 300.9660 -183449.3535 -148888.0944 300.2785 91.3990 124.9679 557712.7450 10.3206 10.1770 PRESSURE: 3700600 -198.487 32.9629 -108.229 32.9646 -215.628 197.031 -108.229 197.031 -59.3937 GPRESSURE: 3700600 -176.8 82.6734 -107.253 91.1931 -198.509 139.131 -54.314 170.952 -5.36732 PRESSAVG: 3700600 -25.5696 -14.1269 -5.40212 -14.1269 5.58641 59.6682 -5.40224 59.6684 11.8066 GPRESSAVG: 3700600 -24.9612 -14.7839 -5.04638 -14.579 6.05727 60.3958 -5.18275 59.5794 11.634 TIMING: 3700600 CPU: 11134.1, 0.00300851/step Wall: 11134.1, 0.00300851/step, 1.08591 hours remaining, 209.660156 MB of memory in use. ENERGY: 3700600 728.6929 2133.7772 1967.7513 120.1310 -205825.4476 17624.9984 0.0000 0.0000 34232.4520 -149017.6447 298.9605 -183250.0967 -148925.9637 299.4141 -157.8363 -126.8921 558232.0374 -2.7255 -2.4233 PRESSURE: 3700800 -12.8185 35.3869 55.5352 35.3879 102.727 124.572 55.5342 124.572 160.883 GPRESSURE: 3700800 62.6232 11.2555 108.567 75.3118 121.024 103.084 105.766 136.716 147.347 PRESSAVG: 3700800 61.0624 -13.6804 6.2748 -13.6804 -13.7313 12.0939 6.27478 12.094 -15.1828 GPRESSAVG: 3700800 60.3477 -12.0226 5.79475 -14.3834 -13.4155 13.9388 7.63829 11.7224 -14.9838 TIMING: 3700800 CPU: 11134.7, 0.0029944/step Wall: 11134.7, 0.0029944/step, 1.08065 hours remaining, 209.660156 MB of memory in use. ENERGY: 3700800 736.6586 2059.1183 1947.0849 115.7891 -206132.9484 17794.7829 0.0000 0.0000 34506.2411 -148973.2736 301.3516 -183479.5147 -148876.6648 299.8166 83.5971 110.3316 556726.0807 10.7161 10.6495 PRESSURE: 3701000 206.102 16.2637 277.11 16.2632 159.86 12.5699 277.109 12.5715 51.155 GPRESSURE: 3701000 263.742 71.9385 270.373 63.6007 215.341 -6.48346 195.479 17.708 38.358 PRESSAVG: 3701000 30.426 -5.28324 -11.4604 -5.28323 30.1528 25.7494 -11.4605 25.7494 27.7752 GPRESSAVG: 3701000 31.1952 -5.83265 -10.6674 -6.17096 29.3497 24.5346 -13.1769 27.1664 27.3811 TIMING: 3701000 CPU: 11135.3, 0.0029756/step Wall: 11135.3, 0.0029756/step, 1.0737 hours remaining, 209.660156 MB of memory in use. ENERGY: 3701000 766.9568 2080.0776 1972.7446 116.4708 -206359.9340 18016.0829 0.0000 0.0000 34411.4829 -148996.1184 300.5240 -183407.6012 -148893.8757 300.5226 139.0388 172.4804 555353.3673 29.4513 29.3087 PRESSURE: 3701200 64.7705 54.1961 31.3568 54.1955 -69.0303 200.922 31.3574 200.923 -475.447 GPRESSURE: 3701200 86.2935 29.6722 16.8484 71.3773 -87.6107 170.503 32.7872 262.455 -378.768 PRESSAVG: 3701200 41.3112 34.6267 28.5646 34.6267 17.3023 8.68054 28.5646 8.68062 -87.0557 GPRESSAVG: 3701200 41.7836 36.2192 27.1099 34.7781 16.028 9.8438 29.1969 7.30574 -86.5519 TIMING: 3701200 CPU: 11135.9, 0.00296517/step Wall: 11135.9, 0.00296517/step, 1.06977 hours remaining, 209.730469 MB of memory in use. ENERGY: 3701200 801.6717 2118.1782 1953.9130 115.4189 -206080.7399 17757.1422 0.0000 0.0000 34481.1147 -148853.3012 301.1322 -183334.4160 -148752.6470 300.6335 -159.9022 -126.6952 558212.0287 -9.4807 -9.5801 PRESSURE: 3701400 -178.808 -60.5104 70.9671 -60.5103 -18.5096 -128.371 70.9677 -128.372 -135.96 GPRESSURE: 3701400 -193.077 52.6124 79.1634 -91.0578 -5.68775 -82.2184 68.294 -122.59 -33.2074 PRESSAVG: 3701400 11.7171 23.1903 -6.04586 23.1902 12.5869 36.0711 -6.04596 36.0712 -8.93141 GPRESSAVG: 3701400 11.0779 20.9183 -7.82569 23.3102 12.3928 37.0997 -3.65624 35.0128 -7.60885 TIMING: 3701400 CPU: 11136.5, 0.003025/step Wall: 11136.5, 0.003025/step, 1.09119 hours remaining, 209.730469 MB of memory in use. ENERGY: 3701400 744.8014 2116.6050 1951.1211 112.5804 -205886.8151 17527.2422 0.0000 0.0000 34641.2707 -148793.1943 302.5308 -183434.4651 -148699.8607 299.9889 -111.0925 -77.3241 558529.2139 5.1242 5.2873 PRESSURE: 3701600 -83.7668 49.8478 180.201 49.8479 10.514 34.4037 180.202 34.4018 121.003 GPRESSURE: 3701600 -62.1108 137.586 184.73 44.2326 112.379 62.0657 151.288 17.9251 86.6672 PRESSAVG: 3701600 -20.5501 13.2828 31.7924 13.2829 85.7447 19.6589 31.7925 19.6591 -3.23445 GPRESSAVG: 3701600 -20.5761 15.1166 35.6461 13.5844 87.2938 19.6767 28.1269 20.8426 -4.34025 TIMING: 3701600 CPU: 11137.1, 0.00298995/step Wall: 11137.1, 0.00298995/step, 1.07837 hours remaining, 209.730469 MB of memory in use. ENERGY: 3701600 777.3946 2092.8791 1933.8813 116.0250 -205786.8665 17715.1713 0.0000 0.0000 34210.1279 -148941.3873 298.7656 -183151.5153 -148840.8909 300.2927 15.9169 45.6450 556856.7879 20.6534 20.7925 PRESSURE: 3701800 92.4234 -94.1585 127.832 -94.1576 -41.2359 83.2066 127.832 83.2074 -26.3428 GPRESSURE: 3701800 99.5899 -120.479 194.322 -42.0523 2.15889 41.3251 190.572 184.039 29.3169 PRESSAVG: 3701800 -48.2789 -12.1031 -35.1075 -12.1029 70.4495 39.7691 -35.1076 39.769 -17.2146 GPRESSAVG: 3701800 -48.4926 -12.4622 -37.464 -12.2715 68.6313 39.5505 -32.5393 39.6145 -15.2299 TIMING: 3701800 CPU: 11137.7, 0.00299639/step Wall: 11137.7, 0.00299639/step, 1.08053 hours remaining, 209.730469 MB of memory in use. ENERGY: 3701800 735.8860 2163.7296 1962.3147 114.6336 -206002.3611 17814.9366 0.0000 0.0000 34248.3732 -148962.4875 299.0996 -183210.8606 -148867.6780 299.8771 8.2816 43.6886 556682.4951 1.6520 1.6363 PRESSURE: 3702000 -60.6973 186.93 -124.713 186.931 -177.856 -39.5295 -124.71 -39.5315 32.5294 GPRESSURE: 3702000 -33.1659 193.224 -47.8246 152.431 -100.885 51.9502 -124.978 -64.0549 25.7931 PRESSAVG: 3702000 -30.9131 59.1964 1.06123 59.1965 90.9084 40.9252 1.06125 40.9252 51.4922 GPRESSAVG: 3702000 -32.0561 60.1837 2.43588 58.2203 93.3925 40.1749 0.330862 41.2097 50.3396 TIMING: 3702000 CPU: 11138.3, 0.00300185/step Wall: 11138.3, 0.00300185/step, 1.08234 hours remaining, 209.730469 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: 3702000 759.4210 2066.1616 1926.9842 118.4645 -206020.0473 17762.2399 0.0000 0.0000 34503.9105 -148882.8656 301.3312 -183386.7761 -148784.2725 300.1025 -68.6746 -36.0860 557976.2039 37.1625 37.2254 PRESSURE: 3702200 -244.538 -102.614 -68.6501 -102.615 104.634 45.9783 -68.6503 45.9794 -171.735 GPRESSURE: 3702200 -221.211 -112.026 -103.216 -74.7702 85.9091 81.2383 -99.2683 -0.328785 -80.7091 PRESSAVG: 3702200 -40.2967 -16.5191 -30.6216 -16.5191 -6.31634 -26.45 -30.6216 -26.45 29.5037 GPRESSAVG: 3702200 -39.5993 -18.6 -31.1532 -15.1091 -8.57191 -25.542 -29.3531 -27.4619 30.94 TIMING: 3702200 CPU: 11138.9, 0.00301277/step Wall: 11138.9, 0.00301277/step, 1.0861 hours remaining, 209.730469 MB of memory in use. ENERGY: 3702200 726.4989 2098.3019 1975.9927 113.1668 -205813.6621 17546.3180 0.0000 0.0000 34430.6634 -148922.7205 300.6915 -183353.3839 -148827.1941 300.7213 -103.8799 -72.0037 557853.6876 -5.7031 -5.7437 PRESSURE: 3702400 -405.479 66.0975 -128.738 66.0972 -65.4796 122.756 -128.738 122.757 -513.807 GPRESSURE: 3702400 -375.992 -26.2161 -174.188 149.731 -18.6261 114.274 -55.9861 114.692 -476.73 PRESSAVG: 3702400 -49.8048 6.61514 -41.8545 6.61522 78.4591 -18.3712 -41.8545 -18.3712 -2.86078 GPRESSAVG: 3702400 -48.4896 7.39474 -41.2133 7.72955 79.0102 -19.3151 -43.3295 -15.5433 -4.8506 TIMING: 3702400 CPU: 11139.5, 0.00297735/step Wall: 11139.5, 0.00297735/step, 1.07317 hours remaining, 209.730469 MB of memory in use. ENERGY: 3702400 732.2987 2060.7750 1950.1611 111.5391 -205694.2553 17386.5041 0.0000 0.0000 34424.3931 -149028.5841 300.6368 -183452.9773 -148934.9484 299.9282 -328.2550 -290.4495 558952.4445 8.5978 8.5566 PRESSURE: 3702600 -44.3415 -49.2026 19.7814 -49.2022 -192.511 -49.7015 19.7803 -49.7025 -25.0708 GPRESSURE: 3702600 -72.6081 -21.0183 61.6544 -61.3736 -168.983 17.1552 -21.0317 -16.9994 66.9178 PRESSAVG: 3702600 -8.27727 -46.0459 14.026 -46.0459 14.2829 -17.3553 14.0261 -17.3552 8.22946 GPRESSAVG: 3702600 -9.44239 -45.1897 13.2997 -47.8481 14.5324 -16.4061 15.0186 -19.0126 8.49211 TIMING: 3702600 CPU: 11140.1, 0.00299612/step Wall: 11140.1, 0.00299612/step, 1.07977 hours remaining, 209.730469 MB of memory in use. ENERGY: 3702600 758.4659 2121.7721 1947.9648 118.6171 -205896.9018 17526.8211 0.0000 0.0000 34393.8437 -149029.4171 300.3700 -183423.2608 -148930.8179 299.9618 -87.3078 -58.2244 556718.6362 4.7450 4.5274 PRESSURE: 3702800 312.635 -37.8647 -67.6186 -37.8644 199.62 -86.1452 -67.6178 -86.1445 192.284 GPRESSURE: 3702800 385.052 -75.8342 -73.6945 -41.1505 183.94 -7.00133 -22.3625 -74.3787 250.396 PRESSAVG: 3702800 -50.373 -43.0153 9.44173 -43.0153 51.6738 -37.457 9.44166 -37.4571 -0.00964543 GPRESSAVG: 3702800 -49.0448 -43.9389 12.6053 -41.3152 50.8281 -37.0828 7.12558 -36.7158 -0.302929 TIMING: 3702800 CPU: 11140.7, 0.00298839/step Wall: 11140.7, 0.00298839/step, 1.07682 hours remaining, 209.730469 MB of memory in use. ENERGY: 3702800 728.3179 2102.8477 1943.1155 118.8119 -206628.2148 18293.9745 0.0000 0.0000 34381.0932 -149060.0541 300.2586 -183441.1473 -148965.3587 300.1032 234.8463 273.1292 556902.8987 0.4304 0.4935 PRESSURE: 3703000 -221.289 -126.658 -190.61 -126.659 67.515 -55.0988 -190.611 -55.0987 -286.612 GPRESSURE: 3703000 -219.972 -208.457 -146.371 -87.9276 125.333 -28.9507 -222.355 -43.6891 -254.046 PRESSAVG: 3703000 12.9236 14.2668 -36.134 14.2669 14.1201 65.0059 -36.134 65.0059 -20.3295 GPRESSAVG: 3703000 12.444 13.2614 -39.9146 14.3711 16.0693 66.1835 -34.6254 64.0114 -21.8352 TIMING: 3703000 CPU: 11141.3, 0.00299297/step Wall: 11141.3, 0.00299297/step, 1.0783 hours remaining, 209.730469 MB of memory in use. ENERGY: 3703000 753.8975 2055.5751 1936.9657 127.1408 -205620.6801 17483.6144 0.0000 0.0000 34270.9510 -148992.5356 299.2967 -183263.4866 -148900.6187 299.9226 -146.7953 -116.2283 556688.3090 2.2381 2.2260 PRESSURE: 3703200 -182.181 101.001 222.507 101 82.0154 53.5611 222.507 53.5614 76.2937 GPRESSURE: 3703200 -138.209 87.5782 245.106 218.62 108.367 103.951 143.077 18.5197 95.2689 PRESSAVG: 3703200 -31.0607 1.67541 -29.2223 1.67536 45.826 28.9128 -29.2223 28.9129 -6.45441 GPRESSAVG: 3703200 -31.6368 2.31438 -26.4244 1.12482 45.0555 24.8763 -29.9984 30.0237 -5.31052 TIMING: 3703200 CPU: 11141.9, 0.00303495/step Wall: 11141.9, 0.00303495/step, 1.09325 hours remaining, 209.730469 MB of memory in use. ENERGY: 3703200 747.8436 2062.5416 1942.1541 118.3419 -205883.5513 17672.5203 0.0000 0.0000 34434.1445 -148906.0052 300.7219 -183340.1497 -148814.5597 300.1160 -7.9575 21.8090 557971.0603 2.7703 2.7027 PRESSURE: 3703400 -75.9304 -33.0778 -14.2273 -33.0777 -9.17061 123.224 -14.2279 123.225 -207.656 GPRESSURE: 3703400 -87.1801 -11.3137 1.83309 0.230638 40.7971 57.6198 61.8706 123.014 -160.346 PRESSAVG: 3703400 -63.1614 6.73478 34.638 6.73477 40.3446 23.1661 34.638 23.1661 24.8324 GPRESSAVG: 3703400 -62.5409 9.24687 32.302 6.15937 40.4569 21.878 34.4431 23.29 24.4689 TIMING: 3703400 CPU: 11142.5, 0.00299738/step Wall: 11142.5, 0.00299738/step, 1.07956 hours remaining, 209.730469 MB of memory in use. ENERGY: 3703400 735.7193 1993.5560 1938.1763 119.3285 -205748.5520 17818.4934 0.0000 0.0000 34282.9751 -148860.3033 299.4017 -183143.2784 -148764.2462 299.9804 -97.5857 -68.9097 559918.6522 0.6719 0.7950 PRESSURE: 3703600 -151.481 -34.7204 -165.973 -34.7208 -171.336 -84.5899 -165.973 -84.5904 -41.7901 GPRESSURE: 3703600 -40.9363 -23.0265 -276.217 -73.7107 -177.616 25.5543 -124.316 -67.9547 -45.1404 PRESSAVG: 3703600 -21.5308 30.0979 -9.27773 30.098 3.79429 1.71837 -9.27763 1.71831 -25.6911 GPRESSAVG: 3703600 -20.9608 26.6399 -9.2055 30.1803 3.33937 5.32798 -9.20587 2.04732 -25.765 TIMING: 3703600 CPU: 11143.1, 0.00300762/step Wall: 11143.1, 0.00300762/step, 1.08308 hours remaining, 209.730469 MB of memory in use. ENERGY: 3703600 725.4733 2090.0511 1938.5929 112.7060 -205646.7705 17566.9535 0.0000 0.0000 34580.4240 -148632.5697 301.9994 -183212.9937 -148532.0000 300.8379 -121.5358 -87.8977 556372.4101 -14.4759 -14.4622 PRESSURE: 3703800 -212.018 60.1716 13.4226 60.1713 -5.59795 -3.83963 13.4214 -3.8409 -119.558 GPRESSURE: 3703800 -225.36 130.019 20.5298 48.9153 58.3167 -88.203 55.3981 8.30544 -78.0908 PRESSAVG: 3703800 68.1915 4.46958 -20.7186 4.46955 -8.25976 34.9021 -20.7187 34.9021 -21.2646 GPRESSAVG: 3703800 66.8233 5.41485 -21.46 6.55517 -6.27599 34.5859 -18.3596 33.4872 -21.9135 TIMING: 3703800 CPU: 11143.7, 0.00298439/step Wall: 11143.7, 0.00298439/step, 1.07454 hours remaining, 209.730469 MB of memory in use. ENERGY: 3703800 794.9351 1994.7043 1958.4092 107.4492 -205687.2211 17621.3117 0.0000 0.0000 34570.8783 -148639.5334 301.9161 -183210.4117 -148545.0411 301.0226 -112.3912 -81.7113 557704.1027 12.8890 12.8779 PRESSURE: 3704000 18.8064 -139.385 -19.0601 -139.386 -27.0156 114.726 -19.0598 114.725 -21.1875 GPRESSURE: 3704000 73.2424 -113.433 25.2345 -83.7064 -32.3275 92.0043 -8.66192 99.2974 27.2481 PRESSAVG: 3704000 4.66595 21.3928 -54.2968 21.3928 5.56227 -0.786229 -54.297 -0.786249 0.765855 GPRESSAVG: 3704000 4.71032 24.0742 -54.2294 17.641 4.32084 -1.13156 -54.8748 -0.155419 1.12477 TIMING: 3704000 CPU: 11144.3, 0.00300616/step Wall: 11144.3, 0.00300616/step, 1.08222 hours remaining, 209.730469 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: 3704000 762.9514 2018.6528 1950.6372 117.3430 -205869.9074 17800.4891 0.0000 0.0000 34718.2468 -148501.5871 303.2031 -183219.8340 -148408.7833 301.5812 -9.7989 22.7210 557872.2066 3.6647 3.3853 PRESSURE: 3704200 -282.001 51.8538 19.9193 51.853 -15.8872 -81.0111 19.9194 -81.0113 -317.453 GPRESSURE: 3704200 -209.265 122.692 77.9457 -27.868 -6.38718 -164.047 18.0266 -85.5685 -298.47 PRESSAVG: 3704200 21.2002 -18.9519 29.4184 -18.9519 54.953 34.6155 29.4185 34.6156 -81.6719 GPRESSAVG: 3704200 21.4673 -19.6827 30.9171 -16.6911 55.5459 33.8614 27.7541 34.2109 -82.3288 TIMING: 3704200 CPU: 11144.9, 0.00300108/step Wall: 11144.9, 0.00300108/step, 1.08022 hours remaining, 209.730469 MB of memory in use. ENERGY: 3704200 746.5319 2100.4067 2007.7318 113.5601 -205290.7318 17432.7282 0.0000 0.0000 34330.7720 -148559.0010 299.8192 -182889.7730 -148465.3383 301.0937 -205.1136 -171.3740 559636.0896 -1.8396 -1.7718 LDB: ============= START OF LOAD BALANCING ============== 11148.4 LDB: ============== END OF LOAD BALANCING =============== 11148.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11148.4 LDB: ============= START OF LOAD BALANCING ============== 11148.7 LDB: Largest compute 4802 load 0.031265 is 26.5% of average load 0.118153 LDB: Average compute 0.001717 is 1.5% of average load 0.118153 LDB: TIME 11148.7 LOAD: AVG 0.118153 MAX 0.210196 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.297 MB LDB: TIME 11148.7 LOAD: AVG 0.118153 MAX 0.210196 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.297 MB LDB: TIME 11148.7 LOAD: AVG 0.118153 MAX 0.210196 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.297 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11148.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11148.7 PRESSURE: 3704400 132.703 -40.1667 -141.132 -40.1669 371.951 23.7207 -141.132 23.722 100.528 GPRESSURE: 3704400 134.363 -18.3644 -86.5816 -55.5009 369.61 20.6522 -126.266 41.5697 205.67 PRESSAVG: 3704400 0.606244 22.9564 -13.6442 22.9564 -17.8339 -11.0927 -13.6442 -11.0929 14.4421 GPRESSAVG: 3704400 1.58661 21.763 -14.5371 21.7567 -18.5625 -8.50375 -11.8389 -12.6105 14.4716 TIMING: 3704400 CPU: 11145.5, 0.00308757/step Wall: 11145.5, 0.00308757/step, 1.11118 hours remaining, 209.199219 MB of memory in use. ENERGY: 3704400 745.5841 2104.4161 1946.0951 114.2111 -206045.2070 18019.2423 0.0000 0.0000 34408.9289 -148706.7293 300.5017 -183115.6582 -148617.1419 300.6004 201.7276 236.5475 556352.3939 -0.9285 -0.8348 PRESSURE: 3704600 -54.6221 -155.921 72.808 -155.92 -99.4146 -133.169 72.8082 -133.17 31.4106 GPRESSURE: 3704600 -94.9384 -144.333 61.5636 -79.7989 -56.18 -110.484 28.2834 -145.474 135.034 PRESSAVG: 3704600 40.2786 -21.9388 -25.4755 -21.9389 -42.1642 -21.4431 -25.4754 -21.4431 -14.3945 GPRESSAVG: 3704600 38.7475 -22.4726 -24.346 -20.7901 -41.1269 -22.5247 -26.8376 -20.2386 -14.3777 TIMING: 3704600 CPU: 11146.1, 0.00300742/step Wall: 11146.1, 0.00300742/step, 1.08217 hours remaining, 209.265625 MB of memory in use. ENERGY: 3704600 727.3368 2073.2539 1947.2440 119.1461 -205844.6496 17684.9772 0.0000 0.0000 34342.4693 -148950.2223 299.9213 -183292.6916 -148848.8204 299.5141 -40.8754 -5.3615 557424.0410 -5.4267 -5.5857 PRESSURE: 3704800 -174.106 43.6024 -57.481 43.6025 -148.987 93.0145 -57.4822 93.0172 178.298 GPRESSURE: 3704800 -128.385 14.3201 -40.1513 13.4035 -126.148 178.178 -62.1071 53.8011 194.146 PRESSAVG: 3704800 6.52387 -23.2128 -15.3031 -23.2127 -12.6486 6.50886 -15.303 6.509 -1.97656 GPRESSAVG: 3704800 6.75042 -20.8511 -13.9488 -25.6413 -13.4122 7.87801 -16.8406 6.14985 -1.66986 TIMING: 3704800 CPU: 11146.7, 0.003037/step Wall: 11146.7, 0.003037/step, 1.09265 hours remaining, 209.265625 MB of memory in use. ENERGY: 3704800 747.7540 2038.8840 1959.3412 100.8495 -205851.1783 17690.4411 0.0000 0.0000 34500.4333 -148813.4752 301.3009 -183313.9085 -148710.7978 299.8770 -48.2648 -20.1290 557809.2412 -2.7004 -2.7772 PRESSURE: 3705000 592.97 -26.6243 -9.33721 -26.6239 -76.9721 11.1288 -9.33742 11.1295 12.6412 GPRESSURE: 3705000 614.515 -46.0677 29.18 37.0581 -66.3114 0.0416211 -4.59556 12.194 59.0137 PRESSAVG: 3705000 27.1299 0.817778 37.7728 0.817752 -15.0161 -9.93897 37.7728 -9.93909 22.9104 GPRESSAVG: 3705000 27.9544 0.509161 37.7481 1.06377 -16.4203 -10.4856 38.6472 -10.8123 23.3744 TIMING: 3705000 CPU: 11147.3, 0.00301884/step Wall: 11147.3, 0.00301884/step, 1.08594 hours remaining, 209.265625 MB of memory in use. ENERGY: 3705000 751.8020 2066.1450 1964.0842 126.9403 -206076.7873 17908.5266 0.0000 0.0000 34406.7951 -148852.4942 300.4831 -183259.2893 -148762.8578 300.3522 176.2129 202.4059 557161.4180 11.6747 11.6361 PRESSURE: 3705200 25.1283 68.3913 120.785 68.3924 60.5253 101.948 120.784 101.948 50.4442 GPRESSURE: 3705200 -8.62197 112.721 148.817 1.81483 117.971 91.0481 102.232 90.6981 129.997 PRESSAVG: 3705200 43.9028 -40.2738 24.5778 -40.2737 -39.8169 2.23907 24.5777 2.23898 -4.61114 GPRESSAVG: 3705200 42.7076 -40.434 25.3684 -40.9749 -39.641 0.570791 22.8061 4.07674 -3.85924 TIMING: 3705200 CPU: 11147.9, 0.00303842/step Wall: 11147.9, 0.00303842/step, 1.09282 hours remaining, 209.265625 MB of memory in use. ENERGY: 3705200 761.3065 2053.2113 1942.1852 111.6781 -206262.9432 18022.5134 0.0000 0.0000 34504.2613 -148867.7873 301.3343 -183372.0486 -148774.0028 299.7622 45.3659 79.7821 557709.4699 -0.1751 -0.2642 PRESSURE: 3705400 -26.2681 115.247 57.8098 115.247 -85.2712 168.483 57.8112 168.484 130.369 GPRESSURE: 3705400 20.1916 136.735 51.2306 109.001 -52.842 132.307 70.7449 141.056 139.535 PRESSAVG: 3705400 56.4079 34.316 -8.41056 34.3159 -72.4095 -7.51815 -8.41063 -7.51819 69.8295 GPRESSAVG: 3705400 56.7577 33.4379 -9.03337 35.4978 -71.5726 -6.9247 -7.6182 -7.91347 68.5017 TIMING: 3705400 CPU: 11148.5, 0.00301523/step Wall: 11148.5, 0.00301523/step, 1.08431 hours remaining, 209.265625 MB of memory in use. ENERGY: 3705400 799.5464 2022.1838 1958.2380 108.9693 -206260.3343 17863.5528 0.0000 0.0000 34586.3818 -148921.4624 302.0515 -183507.8441 -148818.2273 300.0469 6.2764 35.6283 558326.9585 17.9426 17.8956 PRESSURE: 3705600 -152.899 -84.5775 150.549 -84.5777 23.2532 52.1829 150.548 52.1845 -320.967 GPRESSURE: 3705600 -163.339 -131.54 238.111 -33.843 93.7068 30.2273 64.0057 -2.74152 -290.382 PRESSAVG: 3705600 62.5031 -41.6518 -27.3414 -41.6518 32.6459 10.2654 -27.3414 10.2656 -67.467 GPRESSAVG: 3705600 63.249 -41.2685 -28.894 -42.3919 31.3938 10.9208 -25.5548 9.43682 -66.0662 TIMING: 3705600 CPU: 11149.1, 0.00298375/step Wall: 11149.1, 0.00298375/step, 1.07282 hours remaining, 209.468750 MB of memory in use. ENERGY: 3705600 768.5888 2075.1073 1941.4229 118.9268 -205692.4721 17639.9867 0.0000 0.0000 34191.2092 -148957.2305 298.6003 -183148.4397 -148847.9778 300.1533 -150.2045 -120.0048 558554.4358 9.2273 9.5255 PRESSURE: 3705800 218.959 0.567187 -7.63728 0.565892 106.745 -43.8766 -7.63765 -43.8748 40.7942 GPRESSURE: 3705800 233.372 -21.512 -7.82177 35.5055 139.614 -30.2182 -80.6594 -86.1653 101.568 PRESSAVG: 3705800 7.16969 -23.9649 18.2157 -23.9651 85.4923 -29.1092 18.2157 -29.1092 -70.5184 GPRESSAVG: 3705800 7.53463 -24.6334 19.7956 -22.7024 86.369 -29.5359 15.9882 -27.4387 -71.3791 TIMING: 3705800 CPU: 11149.7, 0.00299208/step Wall: 11149.7, 0.00299208/step, 1.07565 hours remaining, 209.468750 MB of memory in use. ENERGY: 3705800 728.4392 2071.3115 1957.1146 119.7151 -205980.7698 17900.1929 0.0000 0.0000 34335.3619 -148868.6347 299.8593 -183203.9965 -148774.1845 299.5651 122.1660 158.1843 557246.8090 7.3812 7.5082 PRESSURE: 3706000 -51.9551 -17.767 3.56571 -17.7666 61.4839 85.3196 3.56548 85.3187 58.6576 GPRESSURE: 3706000 -30.5919 -18.696 15.9109 45.6931 119.558 -29.5139 -61.8692 140.757 70.3039 PRESSAVG: 3706000 -8.09286 -7.73916 25.2942 -7.73906 68.1397 40.8852 25.2942 40.8851 -23.1643 GPRESSAVG: 3706000 -7.98808 -7.75209 22.5413 -7.06678 68.8025 41.769 27.0434 40.4018 -23.6144 TIMING: 3706000 CPU: 11150.3, 0.00299583/step Wall: 11150.3, 0.00299583/step, 1.07683 hours remaining, 209.671875 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: 3706000 748.0628 2086.7759 1962.8319 120.2752 -205946.1269 17816.6650 0.0000 0.0000 34316.3838 -148895.1322 299.6935 -183211.5160 -148802.0085 299.6748 22.7288 53.0900 557627.5871 12.2942 12.4000 PRESSURE: 3706200 70.0707 -45.9703 87.9591 -45.9703 -85.7284 -83.8627 87.9597 -83.8616 -7.35846 GPRESSURE: 3706200 68.4425 -35.0346 89.9607 -49.4506 -19.0071 -156.418 -9.17391 -98.5011 24.4809 PRESSAVG: 3706200 11.6857 -1.11555 14.3588 -1.11558 90.977 -2.10986 14.3588 -2.10986 -86.0839 GPRESSAVG: 3706200 10.6846 -0.458368 15.9951 -0.946313 90.8259 -1.63732 14.284 -2.63623 -84.8216 TIMING: 3706200 CPU: 11150.9, 0.0029954/step Wall: 11150.9, 0.0029954/step, 1.07651 hours remaining, 209.671875 MB of memory in use. ENERGY: 3706200 768.2657 2082.8271 1934.9623 117.7839 -206228.1703 18007.7182 0.0000 0.0000 34395.1307 -148921.4823 300.3812 -183316.6130 -148816.5171 300.2071 -7.6721 24.6388 557784.1109 5.5263 5.5629 PRESSURE: 3706400 -38.6744 -192.947 92.8161 -192.946 -279.877 48.3285 92.8173 48.329 -144.062 GPRESSURE: 3706400 -38.3701 -245.153 122.151 -186.578 -285.283 48.4247 150.493 50.3169 -59.6974 PRESSAVG: 3706400 11.3126 -41.7713 -4.39391 -41.7714 -11.5011 9.1401 -4.39381 9.14015 -42.1709 GPRESSAVG: 3706400 11.1454 -39.6944 -2.18754 -43.5534 -10.6952 8.48537 -7.29164 9.80984 -43.1114 TIMING: 3706400 CPU: 11151.5, 0.00297927/step Wall: 11151.5, 0.00297927/step, 1.07055 hours remaining, 209.671875 MB of memory in use. ENERGY: 3706400 769.4304 2043.9391 1966.9519 97.1658 -205561.6181 17331.3236 0.0000 0.0000 34261.6757 -149091.1317 299.2157 -183352.8074 -148988.1669 299.5969 -154.2044 -127.7834 557160.6428 -14.1198 -14.2204 PRESSURE: 3706600 -184.963 28.7201 -159.291 28.72 191.212 177.442 -159.292 177.445 -107.992 GPRESSURE: 3706600 -154.606 -10.3453 -170.953 61.4572 276.814 177.58 -195.361 132.838 -125.251 PRESSAVG: 3706600 -13.868 -49.877 17.7119 -49.8769 11.3733 16.0566 17.712 16.0566 -20.5422 GPRESSAVG: 3706600 -12.3846 -51.5788 17.9994 -52.6825 11.5082 15.8015 19.513 14.2636 -22.1979 TIMING: 3706600 CPU: 11152.1, 0.00297127/step Wall: 11152.1, 0.00297127/step, 1.06751 hours remaining, 209.671875 MB of memory in use. ENERGY: 3706600 753.4945 2063.7758 1928.1631 107.3411 -205923.3419 17576.7785 0.0000 0.0000 34187.3472 -149306.4417 298.5666 -183493.7889 -149207.2469 299.2430 -33.9144 -1.0144 555919.0599 -7.6789 -7.6914 PRESSURE: 3706800 -215.604 33.4414 6.29502 33.4425 -102.556 64.6764 6.29405 64.6759 -107.754 GPRESSURE: 3706800 -164.944 25.5794 38.8707 70.6581 -121.295 59.6752 25.4448 68.9288 -45.4918 PRESSAVG: 3706800 21.4041 4.23118 -62.5205 4.23116 15.8917 25.1819 -62.5205 25.1819 -57.6689 GPRESSAVG: 3706800 22.2983 3.19732 -64.9399 7.76426 14.4842 24.543 -62.9609 26.6361 -57.2684 TIMING: 3706800 CPU: 11152.7, 0.00298523/step Wall: 11152.7, 0.00298523/step, 1.07236 hours remaining, 209.671875 MB of memory in use. ENERGY: 3706800 744.3173 2132.3464 1934.2662 123.0033 -206152.1384 17792.8526 0.0000 0.0000 34052.2813 -149373.0713 297.3870 -183425.3526 -149278.4305 298.7175 -141.9713 -110.5769 557279.6611 -6.7910 -6.8286 PRESSURE: 3707000 -68.8259 -18.951 87.3479 -18.9503 -45.0535 174.34 87.3483 174.341 -10.0796 GPRESSURE: 3707000 -2.98642 16.2486 -9.28973 -23.0259 8.99126 195.993 135.966 120.133 -43.7083 PRESSAVG: 3707000 -43.2985 12.9538 -5.37727 12.9537 115.726 17.6403 -5.3773 17.6403 -44.5439 GPRESSAVG: 3707000 -44.1221 15.7894 -3.51083 12.1658 116.253 19.3275 -5.39156 17.3284 -43.9705 TIMING: 3707000 CPU: 11153.3, 0.0029895/step Wall: 11153.3, 0.0029895/step, 1.07373 hours remaining, 209.671875 MB of memory in use. ENERGY: 3707000 761.2970 2044.4152 1963.0184 117.9287 -206378.2233 17789.2241 0.0000 0.0000 34323.9841 -149378.3557 299.7599 -183702.3398 -149280.4067 298.9488 -41.3197 -12.5678 556823.7737 9.2945 9.3866 PRESSURE: 3707200 -117.44 100.893 -95.7205 100.893 99.9776 115.377 -95.722 115.375 -102.676 GPRESSURE: 3707200 -94.2536 32.5764 -16.2011 93.0921 142.329 159.371 -105.288 151.328 -78.165 PRESSAVG: 3707200 2.37526 2.45301 -21.9907 2.45302 63.1718 -8.21348 -21.9908 -8.21331 -64.3663 GPRESSAVG: 3707200 3.82034 -0.0818074 -24.3318 3.72542 62.8261 -9.01303 -20.2824 -9.47479 -65.3278 TIMING: 3707200 CPU: 11153.9, 0.00299081/step Wall: 11153.9, 0.00299082/step, 1.07403 hours remaining, 209.671875 MB of memory in use. ENERGY: 3707200 718.9742 2047.9596 1920.4501 108.7275 -206230.5614 17710.3099 0.0000 0.0000 34200.0442 -149524.0959 298.6775 -183724.1401 -149426.9864 298.5521 -40.0462 -10.0297 557603.0202 0.3936 0.4396 PRESSURE: 3707400 182.923 167.108 -95.549 167.108 -90.0302 28.4202 -95.5501 28.4204 139.091 GPRESSURE: 3707400 191.751 191.622 -142.356 99.062 -32.6624 -24.1965 -61.2116 1.17896 160.716 PRESSAVG: 3707400 52.6344 31.3135 -49.9999 31.3136 -29.0954 61.4453 -50 61.4453 -25.0532 GPRESSAVG: 3707400 49.9588 31.2104 -49.3275 30.279 -28.1906 61.373 -51.4842 61.9645 -23.4284 TIMING: 3707400 CPU: 11154.5, 0.00296829/step Wall: 11154.5, 0.00296829/step, 1.06578 hours remaining, 209.671875 MB of memory in use. ENERGY: 3707400 701.0307 2061.7758 1920.8724 103.3024 -206518.7231 17979.4415 0.0000 0.0000 34210.6337 -149541.6666 298.7700 -183752.3003 -149443.2333 298.7260 77.3279 106.6016 558148.0780 -0.5048 -0.5534 PRESSURE: 3707600 -76.039 -58.1148 -121.754 -58.1136 -57.0607 2.61731 -121.754 2.61595 -57.1966 GPRESSURE: 3707600 -63.687 -108.205 27.3753 -56.7903 -8.33143 -14.3388 -186.48 59.3049 0.203289 PRESSAVG: 3707600 10.0806 35.9675 -12.4583 35.9676 8.392 13.7497 -12.4583 13.7497 19.5335 GPRESSAVG: 3707600 11.5714 36.7143 -11.0519 36.4994 7.20709 14.019 -12.1911 14.3182 19.5263 TIMING: 3707600 CPU: 11155.1, 0.00300052/step Wall: 11155.1, 0.00300052/step, 1.07719 hours remaining, 209.671875 MB of memory in use. ENERGY: 3707600 732.6131 2105.3803 1926.2542 117.9024 -206446.8793 17654.7179 0.0000 0.0000 34368.8353 -149541.1762 300.1516 -183910.0114 -149440.9402 298.5604 -63.4321 -23.9384 556697.0977 12.6687 12.7683 PRESSURE: 3707800 -155.387 134.334 140.661 134.333 -34.1334 72.7514 140.66 72.7521 83.1922 GPRESSURE: 3707800 -71.7056 142.332 124.902 78.197 -36.3747 80.5741 -9.94055 90.7268 84.8188 PRESSAVG: 3707800 17.963 -25.3033 16.8806 -25.3033 36.7892 -21.2859 16.8805 -21.286 -53.8475 GPRESSAVG: 3707800 17.3835 -25.2309 15.0088 -26.77 37.3439 -21.1258 17.2796 -20.4646 -53.884 TIMING: 3707800 CPU: 11155.7, 0.00300633/step Wall: 11155.7, 0.00300633/step, 1.07911 hours remaining, 209.671875 MB of memory in use. ENERGY: 3707800 753.5370 2126.1314 1949.9938 106.6620 -206594.0716 17905.8874 0.0000 0.0000 34279.0796 -149472.7804 299.3677 -183751.8600 -149366.3227 299.0032 -35.4428 -7.7538 557072.5963 0.3016 0.2812 PRESSURE: 3708000 -134.223 -2.87139 26.4853 -2.87062 -99.6761 49.0277 26.4853 49.029 -63.1252 GPRESSURE: 3708000 -70.9216 27.7172 -73.2823 7.21406 -98.7758 67.9716 63.3914 9.97963 -46.5099 PRESSAVG: 3708000 -30.6493 58.5889 -7.08012 58.589 22.0272 -66.0152 -7.08018 -66.0151 21.4614 GPRESSAVG: 3708000 -29.5561 60.1858 -5.97429 58.6909 22.3334 -67.3184 -9.21846 -68.0181 19.6607 TIMING: 3708000 CPU: 11156.3, 0.00296685/step Wall: 11156.3, 0.00296685/step, 1.06477 hours remaining, 209.671875 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: 3708000 747.5271 2023.4812 1962.2658 112.1508 -206257.2218 17720.0441 0.0000 0.0000 34323.2521 -149368.5005 299.7535 -183691.7527 -149276.6478 298.8510 -99.0082 -72.0691 556750.3655 4.2797 4.1460 PRESSURE: 3708200 -244.741 135.037 -4.60403 135.037 -155.328 37.4781 -4.60523 37.4782 -47.4055 GPRESSURE: 3708200 -176.362 148.064 -58.9162 107.056 -119.942 -2.57617 -6.25859 53.3313 -52.7828 PRESSAVG: 3708200 -112.06 -8.74477 -51.6162 -8.74467 22.5182 -8.50175 -51.6162 -8.50162 75.8185 GPRESSAVG: 3708200 -111.819 -10.6677 -51.5878 -7.23314 21.3414 -9.04015 -49.582 -7.83274 76.732 TIMING: 3708200 CPU: 11156.9, 0.00293573/step Wall: 11156.9, 0.00293573/step, 1.05344 hours remaining, 209.671875 MB of memory in use. ENERGY: 3708200 765.6044 2043.7908 1968.2329 125.8462 -206114.5094 17754.5775 0.0000 0.0000 34104.0095 -149352.4482 297.8388 -183456.4577 -149261.3991 298.8780 -149.1581 -116.3623 558748.5144 -4.5745 -4.5819 LDB: ============= START OF LOAD BALANCING ============== 11160.4 LDB: ============== END OF LOAD BALANCING =============== 11160.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11160.4 LDB: ============= START OF LOAD BALANCING ============== 11160.7 LDB: Largest compute 4802 load 0.031225 is 26.4% of average load 0.118255 LDB: Average compute 0.001717 is 1.5% of average load 0.118255 LDB: TIME 11160.7 LOAD: AVG 0.118255 MAX 0.209731 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.031 MB LDB: TIME 11160.7 LOAD: AVG 0.118255 MAX 0.209731 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.234 MB LDB: TIME 11160.7 LOAD: AVG 0.118255 MAX 0.209731 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.234 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11160.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11160.7 PRESSURE: 3708400 -123.313 2.58137 -22.9478 2.58204 -157.215 136.134 -22.9463 136.133 -226.661 GPRESSURE: 3708400 -90.3186 -5.33576 33.868 38.2586 -112.907 152.426 -15.3831 79.1764 -199.451 PRESSAVG: 3708400 -36.2391 22.9999 -8.87281 22.9999 13.4482 46.7668 -8.87279 46.7668 44.8752 GPRESSAVG: 3708400 -37.4087 23.9149 -9.0791 21.9989 14.4004 46.7593 -11.0235 47.0601 45.0207 TIMING: 3708400 CPU: 11157.5, 0.00302565/step Wall: 11157.5, 0.00302565/step, 1.08553 hours remaining, 207.917969 MB of memory in use. ENERGY: 3708400 762.3936 2107.0337 1951.8953 117.2851 -205963.9118 17390.7088 0.0000 0.0000 34393.0892 -149241.5061 300.3634 -183634.5953 -149151.2116 298.9621 -169.0629 -134.2255 557402.1459 7.3614 7.3375 PRESSURE: 3708600 -261.61 77.8463 -41.9017 77.8466 -166.595 -110.297 -41.9006 -110.297 44.4342 GPRESSURE: 3708600 -280.127 115.202 -133.405 56.7224 -163.675 -84.9532 -71.1833 -139.287 152.597 PRESSAVG: 3708600 -58.4185 13.8123 -70.9411 13.8124 27.6667 14.3858 -70.9411 14.3858 22.9836 GPRESSAVG: 3708600 -59.4623 11.7136 -71.8528 15.4193 26.2716 16.6841 -68.6213 12.9879 24.8721 TIMING: 3708600 CPU: 11158.1, 0.00298575/step Wall: 11158.1, 0.00298575/step, 1.07105 hours remaining, 208.246094 MB of memory in use. ENERGY: 3708600 747.7363 2089.1754 1941.6603 112.2839 -205974.5246 17702.7101 0.0000 0.0000 34055.6552 -149325.3034 297.4165 -183380.9585 -149231.4994 299.4362 -127.9234 -97.0687 558035.1344 -2.5894 -2.7729 PRESSURE: 3708800 33.5487 -93.1796 -82.4097 -93.1798 279.149 142.254 -82.4109 142.255 -2.98951 GPRESSURE: 3708800 82.8693 29.3095 -144.812 -95.0812 265.114 143.133 -60.8984 166.116 57.1367 PRESSAVG: 3708800 -69.2036 -10.7004 -59.7803 -10.7003 26.6135 23.9059 -59.7802 23.906 51.2454 GPRESSAVG: 3708800 -68.2843 -8.65178 -59.6794 -10.4026 27.7392 23.9795 -60.9927 23.6492 49.2173 TIMING: 3708800 CPU: 11158.7, 0.00294964/step Wall: 11158.7, 0.00294964/step, 1.05794 hours remaining, 208.246094 MB of memory in use. ENERGY: 3708800 722.3919 2162.5675 1939.4069 100.7068 -206225.9393 17952.4812 0.0000 0.0000 34095.1402 -149253.2448 297.7613 -183348.3850 -149160.7969 298.6912 103.2361 135.0401 558217.6877 2.8851 2.8907 PRESSURE: 3709000 94.2736 116.179 -76.2631 116.179 38.3641 -74.1038 -76.2627 -74.1037 199.542 GPRESSURE: 3709000 140.828 73.7487 -15.973 116.994 48.5908 -168.677 4.8654 -69.7123 234.166 PRESSAVG: 3709000 -25.8581 58.1089 -41.2557 58.1088 2.51546 -3.31357 -41.2557 -3.31348 -9.92202 GPRESSAVG: 3709000 -24.6627 55.8163 -39.6478 59.8754 2.09573 -5.45264 -40.6507 -3.24479 -11.5291 TIMING: 3709000 CPU: 11159.3, 0.00299/step Wall: 11159.3, 0.00299/step, 1.07225 hours remaining, 208.246094 MB of memory in use. ENERGY: 3709000 733.7701 2111.6741 1932.5875 112.0092 -206263.1967 17771.3497 0.0000 0.0000 34375.6721 -149226.1339 300.2113 -183601.8060 -149127.7497 299.0389 110.7266 141.1950 556132.4263 -11.0882 -11.3654 PRESSURE: 3709200 -114.123 71.4485 -34.6353 71.4501 -106.069 -23.4788 -34.6343 -23.4793 17.5936 GPRESSURE: 3709200 -110.641 53.5363 -17.7219 138.608 -89.4182 -66.0137 -75.2247 -44.025 87.259 PRESSAVG: 3709200 -54.7614 43.7562 -14.1957 43.7562 47.774 17.2204 -14.1958 17.2204 -11.6997 GPRESSAVG: 3709200 -55.0116 46.2899 -16.4566 40.5647 46.6322 18.7484 -12.598 16.1083 -10.8337 TIMING: 3709200 CPU: 11159.9, 0.00299612/step Wall: 11159.9, 0.00299612/step, 1.07428 hours remaining, 208.246094 MB of memory in use. ENERGY: 3709200 703.9954 2156.1237 1980.0189 97.6465 -205724.9521 17453.1927 0.0000 0.0000 34080.4842 -149253.4907 297.6333 -183333.9750 -149161.4972 299.2247 -67.5327 -37.6001 557597.9641 -6.2290 -6.4044 PRESSURE: 3709400 -328.214 120.448 -43.8691 120.45 -124.119 109.833 -43.869 109.834 -19.3924 GPRESSURE: 3709400 -338.04 212.069 12.8205 92.5399 -63.5029 92.9694 -23.762 106.093 15.6344 PRESSAVG: 3709400 17.8368 5.30582 40.4005 5.30579 -1.70108 45.2786 40.4005 45.2785 -2.46399 GPRESSAVG: 3709400 17.1416 3.69989 42.063 6.05555 -0.489714 46.5224 39.5138 45.1613 -2.48384 TIMING: 3709400 CPU: 11160.5, 0.00299445/step Wall: 11160.5, 0.00299445/step, 1.07351 hours remaining, 208.246094 MB of memory in use. ENERGY: 3709400 762.7147 2084.9744 1945.0953 119.0994 -205841.4078 17591.1133 0.0000 0.0000 34179.2107 -149159.2000 298.4955 -183338.4107 -149060.1641 299.4211 -157.2416 -128.6363 558060.5528 4.5572 4.7227 PRESSURE: 3709600 92.0159 33.0962 76.059 33.0952 256.253 -120.548 76.0585 -120.547 139.966 GPRESSURE: 3709600 125.714 16.3105 74.5116 20.141 261.357 -104.789 73.009 -199.289 200.054 PRESSAVG: 3709600 -101.66 37.4238 20.6729 37.4237 38.7878 -0.444282 20.6729 -0.444308 27.4051 GPRESSAVG: 3709600 -101.799 38.9785 20.3806 38.7139 39.3056 -2.18775 21.2665 0.368073 28.0073 TIMING: 3709600 CPU: 11161.1, 0.0030071/step Wall: 11161.1, 0.0030071/step, 1.07788 hours remaining, 208.246094 MB of memory in use. ENERGY: 3709600 678.2748 2116.9363 1965.1250 106.7390 -206026.0790 17854.3165 0.0000 0.0000 34170.3694 -149134.3182 298.4183 -183304.6875 -149036.0122 298.8569 162.7449 195.7084 557429.4205 -11.8224 -11.4955 PRESSURE: 3709800 -8.15937 204.144 -116.768 204.144 -161.261 -185.409 -116.768 -185.409 73.3389 GPRESSURE: 3709800 -4.6528 170.633 -86.868 256.595 -82.3368 -136.749 -126.641 -178.602 86.985 PRESSAVG: 3709800 27.0459 -9.10174 13.0925 -9.10166 -18.9121 -25.3864 13.0926 -25.3864 0.463676 GPRESSAVG: 3709800 27.1582 -10.7463 11.2503 -10.6786 -19.4194 -22.8922 13.0288 -25.0783 0.342203 TIMING: 3709800 CPU: 11161.7, 0.00301224/step Wall: 11161.7, 0.00301224/step, 1.07955 hours remaining, 208.246094 MB of memory in use. ENERGY: 3709800 730.8964 2082.4522 1961.2658 115.5281 -205901.8925 17556.3954 0.0000 0.0000 34234.7149 -149220.6397 298.9803 -183455.3545 -149129.6280 299.6967 -32.0273 -0.0016 557141.7926 2.8658 2.6937 PRESSURE: 3710000 -165.821 60.7534 -42.1138 60.7542 -174.816 -80.0343 -42.116 -80.0358 -112.07 GPRESSURE: 3710000 -60.4104 67.095 10.5811 63.4425 -177.475 -54.002 -86.326 -120.361 -105.223 PRESSAVG: 3710000 -25.7692 60.6124 64.0834 60.6124 -69.9736 4.39356 64.0833 4.39358 70.3592 GPRESSAVG: 3710000 -24.3437 59.3543 64.2761 62.3313 -71.3461 1.95043 64.088 7.00155 70.4701 TIMING: 3710000 CPU: 11162.3, 0.00301754/step Wall: 11162.3, 0.00301754/step, 1.08128 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: 3710000 753.5839 2146.8174 1915.7618 106.3438 -206104.7283 17638.2923 0.0000 0.0000 34329.6178 -149214.3112 299.8091 -183543.9290 -149115.5103 299.3220 -150.9022 -114.3694 558925.6319 -8.4612 -8.4066 PRESSURE: 3710200 8.40547 102.705 -114.465 102.705 -211.503 -35.3269 -114.465 -35.3262 -187.694 GPRESSURE: 3710200 62.5459 63.9235 -93.5387 192.719 -208.292 -40.1053 -96.9589 -67.0215 -158.567 PRESSAVG: 3710200 33.0999 14.2645 32.3471 14.2645 -8.57815 -22.4133 32.3471 -22.4134 4.83003 GPRESSAVG: 3710200 31.996 16.6026 33.2766 13.4679 -7.25462 -21.5441 31.9746 -24.6667 5.03696 TIMING: 3710200 CPU: 11162.9, 0.00297581/step Wall: 11162.9, 0.00297581/step, 1.06617 hours remaining, 208.246094 MB of memory in use. ENERGY: 3710200 729.3307 2107.5895 1919.8698 107.7780 -205863.7298 17521.2105 0.0000 0.0000 34236.5272 -149241.4242 298.9961 -183477.9514 -149152.2354 298.9925 -130.2640 -101.4378 558454.2790 9.7839 9.9261 PRESSURE: 3710400 -25.8653 -53.4732 2.55951 -53.4729 51.6994 -59.2487 2.55939 -59.2478 154.841 GPRESSURE: 3710400 -16.4252 -55.5016 58.1366 -66.8459 86.7183 -100.249 -70.3104 -46.1634 210.404 PRESSAVG: 3710400 -13.9244 24.9163 19.3384 24.9164 -38.7047 -43.1154 19.3385 -43.1154 62.1157 GPRESSAVG: 3710400 -12.7974 24.7872 18.2492 23.5417 -39.8928 -44.6195 18.7325 -41.7254 62.4916 TIMING: 3710400 CPU: 11163.5, 0.00297409/step Wall: 11163.5, 0.00297409/step, 1.06538 hours remaining, 208.246094 MB of memory in use. ENERGY: 3710400 758.6600 2132.2533 1932.2565 123.8294 -206157.2321 17830.3459 0.0000 0.0000 34094.5570 -149285.3299 297.7562 -183379.8869 -149194.0205 299.7051 60.2249 93.5658 556043.8348 3.1622 3.2671 PRESSURE: 3710600 92.4726 114.566 -163.238 114.567 251.056 -166.16 -163.237 -166.16 170.999 GPRESSURE: 3710600 148.729 172.49 -135.512 27.9039 275.142 -85.7525 -217.31 -187.33 201.573 PRESSAVG: 3710600 -28.775 -10.8705 42.0768 -10.8705 -63.0224 -82.2896 42.0768 -82.2897 73.6897 GPRESSAVG: 3710600 -29.8339 -9.58423 43.7997 -12.9311 -61.7563 -80.4498 41.6873 -84.3439 74.6076 TIMING: 3710600 CPU: 11164.1, 0.00295751/step Wall: 11164.1, 0.00295751/step, 1.05928 hours remaining, 208.246094 MB of memory in use. ENERGY: 3710600 763.1724 2088.5956 1970.9671 118.6973 -206356.3866 18204.4635 0.0000 0.0000 34154.1297 -149056.3610 298.2765 -183210.4906 -148961.5542 299.0834 171.5091 208.4812 557775.9552 -6.0359 -5.6609 PRESSURE: 3710800 -122.593 -5.47791 -18.2476 -5.47649 137.335 -127.468 -18.248 -127.47 196.546 GPRESSURE: 3710800 -114.662 40.749 35.0758 -11.3037 137.602 -21.592 5.16553 -117.631 291.101 PRESSAVG: 3710800 21.778 -3.18276 -13.6704 -3.18266 -24.7512 -24.9795 -13.6704 -24.9796 57.9961 GPRESSAVG: 3710800 22.6896 -3.61347 -14.1424 -0.450542 -25.0174 -26.0841 -12.5268 -23.6429 57.5174 TIMING: 3710800 CPU: 11164.6, 0.00295655/step Wall: 11164.6, 0.00295655/step, 1.05877 hours remaining, 208.246094 MB of memory in use. ENERGY: 3710800 714.6225 2083.4943 1964.6166 107.0878 -205932.9760 17755.3442 0.0000 0.0000 34346.9429 -148960.8678 299.9604 -183307.8107 -148865.3402 299.1685 70.4292 104.6803 558685.2417 18.3410 18.3965 PRESSURE: 3711000 -84.0608 3.99876 28.6375 3.99801 -317.825 -3.29175 28.6375 -3.29277 22.1763 GPRESSURE: 3711000 -59.3713 -2.76208 -106.18 -1.85658 -258.592 103.115 60.1372 -65.1889 36.5515 PRESSAVG: 3711000 -23.6162 -18.4322 -1.3506 -18.4321 -0.722395 -53.1874 -1.35056 -53.1875 -15.1936 GPRESSAVG: 3711000 -22.5386 -19.6533 -1.32314 -19.573 -1.14632 -51.4824 -2.7361 -53.7958 -15.9801 TIMING: 3711000 CPU: 11165.2, 0.0029957/step Wall: 11165.2, 0.0029957/step, 1.07263 hours remaining, 208.246094 MB of memory in use. ENERGY: 3711000 780.6261 2068.1174 1950.0580 106.5206 -205508.3237 17552.5057 0.0000 0.0000 34178.6893 -148871.8066 298.4910 -183050.4960 -148769.4605 299.7159 -126.5699 -93.8040 558361.1520 -13.1774 -13.2217 PRESSURE: 3711200 70.7787 -140.775 313.554 -140.774 17.2988 130.342 313.554 130.343 159.277 GPRESSURE: 3711200 93.8092 -137.268 338.437 -44.2433 97.7702 107.442 235.901 85.6799 138.843 PRESSAVG: 3711200 9.99776 -31.0937 19.35 -31.0937 5.18796 -43.3725 19.35 -43.3725 25.811 GPRESSAVG: 3711200 7.35103 -31.715 20.1139 -29.5918 6.1973 -45.237 18.979 -42.3165 27.133 TIMING: 3711200 CPU: 11165.8, 0.00298713/step Wall: 11165.8, 0.00298713/step, 1.06939 hours remaining, 208.246094 MB of memory in use. ENERGY: 3711200 725.6066 2159.5865 1943.8258 114.6272 -206112.5215 17960.6992 0.0000 0.0000 34216.1334 -148992.0427 298.8180 -183208.1761 -148892.4355 299.8892 82.4514 110.1409 558220.9802 13.6656 13.5604 PRESSURE: 3711400 -146.625 -67.5887 20.8827 -67.5875 169.447 -65.0901 20.8821 -65.0902 -147.277 GPRESSURE: 3711400 -116.346 11.8325 -22.3643 -44.7428 170.685 -62.1678 -10.4278 -84.4013 -81.3752 PRESSAVG: 3711400 -2.00683 -45.5508 -1.03943 -45.5509 46.9803 34.8514 -1.03935 34.8512 -18.4038 GPRESSAVG: 3711400 0.0920997 -43.1586 -1.60868 -47.6016 45.8004 35.7831 -0.253946 32.6096 -19.6398 TIMING: 3711400 CPU: 11166.4, 0.002977/step Wall: 11166.4, 0.002977/step, 1.0656 hours remaining, 208.246094 MB of memory in use. ENERGY: 3711400 767.0814 2108.4238 1933.0470 109.8865 -206595.0995 18077.2945 0.0000 0.0000 34439.7175 -149159.6488 300.7706 -183599.3663 -149060.6300 299.8384 -41.4848 -9.0121 559007.0038 8.8566 8.7509 PRESSURE: 3711600 104.954 -15.0884 -11.0519 -15.0873 -186.058 -52.5905 -11.052 -52.5905 -5.14484 GPRESSURE: 3711600 90.1677 15.8015 -28.312 -30.1972 -117.974 -116.49 11.7318 -9.38914 30.3976 PRESSAVG: 3711600 23.3407 -31.2949 6.31375 -31.2949 -6.44621 30.1458 6.31374 30.1458 -35.0975 GPRESSAVG: 3711600 22.8589 -31.9338 7.39226 -32.3899 -6.72381 27.9151 7.22378 32.4699 -34.3645 TIMING: 3711600 CPU: 11167, 0.00298425/step Wall: 11167, 0.00298425/step, 1.06803 hours remaining, 208.246094 MB of memory in use. ENERGY: 3711600 719.3684 2090.7420 1941.6401 109.3021 -206059.3763 17670.4131 0.0000 0.0000 34307.7568 -149220.1538 299.6182 -183527.9106 -149122.8215 298.9234 -28.7496 0.8636 558780.4441 -6.0677 -6.0765 PRESSURE: 3711800 94.3861 25.4791 126.452 25.4786 -179.322 172.25 126.452 172.25 522.781 GPRESSURE: 3711800 179.697 -40.5004 130.404 -20.9472 -141.691 138.52 80.7713 73.1213 503.243 PRESSAVG: 3711800 63.9234 29.2055 9.44268 29.2054 -60.7545 25.6692 9.44273 25.6691 11.944 GPRESSAVG: 3711800 63.3469 26.9374 8.23814 29.7209 -59.1095 26.2844 9.44305 25.8659 11.109 TIMING: 3711800 CPU: 11167.6, 0.0029783/step Wall: 11167.6, 0.0029783/step, 1.06574 hours remaining, 208.246094 MB of memory in use. ENERGY: 3711800 705.6430 2072.0306 1956.7567 116.9155 -206184.7983 17888.9304 0.0000 0.0000 34309.2326 -149135.2896 299.6311 -183444.5222 -149032.8132 299.7924 145.9483 180.4163 557403.7650 5.0376 5.1154 PRESSURE: 3712000 -244.317 16.2873 122.686 16.2861 -298.796 19.6586 122.685 19.66 -193.305 GPRESSURE: 3712000 -270.767 67.0793 133.5 -28.5862 -244.109 22.0533 147.544 2.53543 -127.559 PRESSAVG: 3712000 6.00815 29.4371 -21.6129 29.437 -48.3657 -28.3489 -21.613 -28.349 59.1248 GPRESSAVG: 3712000 6.0067 29.5832 -20.8131 30.6758 -50.3382 -28.514 -21.1168 -27.113 60.9007 TIMING: 3712000 CPU: 11168.2, 0.00296949/step Wall: 11168.2, 0.00296949/step, 1.06242 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: 3712000 765.6736 2136.5515 1936.9309 106.4680 -205779.9751 17473.3721 0.0000 0.0000 34230.6291 -149130.3500 298.9446 -183360.9791 -149024.7068 299.7094 -245.4729 -214.1453 558569.7105 5.5891 5.5231 PRESSURE: 3712200 -75.0363 185.825 48.159 185.824 -133.491 -30.1849 48.16 -30.1849 11.4122 GPRESSURE: 3712200 -0.7639 229.817 131.471 211.102 -64.0609 -21.0684 56.2186 -33.2667 -27.5864 PRESSAVG: 3712200 -12.566 66.2277 9.87955 66.2277 -1.65753 -3.28468 9.87961 -3.28463 5.53142 GPRESSAVG: 3712200 -12.9623 66.7472 12.2086 64.789 -0.309343 -1.36366 8.35887 -8.11401 4.55755 TIMING: 3712200 CPU: 11168.8, 0.00299055/step Wall: 11168.8, 0.00299055/step, 1.06979 hours remaining, 208.246094 MB of memory in use. ENERGY: 3712200 757.9941 2090.6622 1946.3747 112.1367 -206114.1125 17769.0136 0.0000 0.0000 34278.3530 -149159.5783 299.3614 -183437.9313 -149069.9385 300.0072 -65.7049 -30.8037 557194.8468 -2.8974 -2.9047 LDB: ============= START OF LOAD BALANCING ============== 11172.3 LDB: ============== END OF LOAD BALANCING =============== 11172.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11172.3 LDB: ============= START OF LOAD BALANCING ============== 11172.6 LDB: Largest compute 4802 load 0.028004 is 23.7% of average load 0.118228 LDB: Average compute 0.001714 is 1.4% of average load 0.118228 LDB: TIME 11172.6 LOAD: AVG 0.118228 MAX 0.211806 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.711 MB LDB: TIME 11172.6 LOAD: AVG 0.118228 MAX 0.211806 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.715 MB LDB: TIME 11172.6 LOAD: AVG 0.118228 MAX 0.211806 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.715 MB LDB: ============== END OF LOAD BALANCING =============== 11172.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11172.7 PRESSURE: 3712400 186.65 -179.98 26.6716 -179.981 53.3227 -144.665 26.6718 -144.664 226.903 GPRESSURE: 3712400 222.526 -140.487 96.9277 -172.561 88.7506 -151.721 -0.149324 -87.217 257.857 PRESSAVG: 3712400 -21.8408 22.6593 1.28218 22.6593 57.747 -36.4324 1.28226 -36.4325 -9.53253 GPRESSAVG: 3712400 -22.1138 23.7804 -0.0175517 22.9133 57.0669 -36.6975 0.886319 -35.0033 -9.37377 TIMING: 3712400 CPU: 11169.4, 0.00305381/step Wall: 11169.4, 0.00305381/step, 1.09225 hours remaining, 209.710938 MB of memory in use. ENERGY: 3712400 728.6678 2104.9419 1954.2372 120.0841 -206499.3366 18040.9575 0.0000 0.0000 34400.4548 -149149.9933 300.4277 -183550.4480 -149058.5150 299.3176 155.6252 189.7113 556933.2133 8.7912 8.5265 PRESSURE: 3712600 188.731 39.234 -32.3952 39.2334 155.766 119.454 -32.395 119.453 -45.7056 GPRESSURE: 3712600 244.087 -7.55061 -62.0744 90.7404 137.863 46.8322 -5.39169 190.111 14.4589 PRESSAVG: 3712600 35.3774 -5.37354 -54.6144 -5.37353 -26.3976 18.068 -54.6145 18.068 21.3947 GPRESSAVG: 3712600 35.1879 -6.71381 -54.3667 -3.49757 -26.9344 17.7387 -54.561 17.6864 21.7849 TIMING: 3712600 CPU: 11170, 0.00300236/step Wall: 11170, 0.00300236/step, 1.07368 hours remaining, 209.914062 MB of memory in use. ENERGY: 3712600 720.1201 2133.6651 1924.4951 110.3924 -206433.5424 17946.1806 0.0000 0.0000 34517.9441 -149080.7450 301.4538 -183598.6891 -148988.3747 299.8329 99.5973 132.1363 557423.9907 10.1248 10.0128 PRESSURE: 3712800 2.64166 83.3747 31.012 83.375 49.132 -41.6334 31.0099 -41.6343 70.6194 GPRESSURE: 3712800 42.1668 92.3536 46.0934 82.5716 86.5894 14.3779 62.9124 64.7578 93.4331 PRESSAVG: 3712800 26.5837 17.8626 -16.7645 17.8626 49.3998 4.63827 -16.7645 4.63818 -82.8197 GPRESSAVG: 3712800 27.1216 19.9401 -19.5927 15.3784 49.9923 2.87142 -16.3844 5.80906 -83.8699 TIMING: 3712800 CPU: 11170.6, 0.00302431/step Wall: 11170.6, 0.00302431/step, 1.08136 hours remaining, 209.914062 MB of memory in use. ENERGY: 3712800 744.3195 2144.7011 1948.0826 110.8012 -206160.4136 17837.2190 0.0000 0.0000 34325.6933 -149049.5968 299.7748 -183375.2902 -148947.2858 300.2531 40.7977 74.0631 557781.0678 -2.2787 -2.2520 PRESSURE: 3713000 123.477 -57.5466 -4.26206 -57.5461 -100.781 -121.428 -4.26216 -121.428 -79.2978 GPRESSURE: 3713000 149.668 39.4175 -2.50079 -68.0058 -79.641 -84.7131 -15.6273 -155.936 -25.4446 PRESSAVG: 3713000 12.067 -31.0077 6.11429 -31.0078 -2.14114 14.4478 6.11433 14.4476 13.3512 GPRESSAVG: 3713000 11.8439 -31.7152 7.86319 -30.7806 -2.02606 15.0654 5.34599 13.1595 13.6098 TIMING: 3713000 CPU: 11171.2, 0.003016/step Wall: 11171.2, 0.003016/step, 1.07822 hours remaining, 209.914062 MB of memory in use. ENERGY: 3713000 724.3307 2115.5235 1926.1959 108.0764 -205704.4133 17453.9989 0.0000 0.0000 34501.6166 -148874.6714 301.3112 -183376.2880 -148775.6167 300.2022 -18.8673 14.8607 557846.5529 7.7590 7.8092 PRESSURE: 3713200 -219.97 -69.2448 -83.6076 -69.2447 -156.039 -2.97326 -83.6089 -2.97374 221.959 GPRESSURE: 3713200 -218.53 -71.6338 -122.659 6.54188 -69.4792 -77.9125 -61.6584 70.4697 231.923 PRESSAVG: 3713200 -13.9742 28.4748 -6.48372 28.4748 -50.8827 -18.6396 -6.48368 -18.6397 51.0945 GPRESSAVG: 3713200 -14.0184 28.2274 -5.88097 29.9351 -51.4881 -19.3878 -5.83348 -17.5639 52.0657 TIMING: 3713200 CPU: 11171.8, 0.00297953/step Wall: 11171.8, 0.00297953/step, 1.06502 hours remaining, 209.914062 MB of memory in use. ENERGY: 3713200 764.9936 2078.4076 1965.4435 118.8029 -205938.2505 17680.6853 0.0000 0.0000 34340.1986 -148989.7190 299.9015 -183329.9175 -148898.5003 300.0631 -51.3502 -18.6953 558591.0312 -4.5875 -4.4803 PRESSURE: 3713400 341.647 -3.96539 -24.1057 -3.96544 164.399 95.8641 -24.1054 95.8639 130.953 GPRESSURE: 3713400 357.161 53.0592 6.84861 2.42057 180.83 109.062 123.629 120.557 192.985 PRESSAVG: 3713400 -78.2305 -39.449 23.0142 -39.449 26.6103 -1.7263 23.0141 -1.72626 31.4583 GPRESSAVG: 3713400 -77.3709 -40.8228 22.2261 -40.5264 26.5475 -2.8803 22.4677 0.0626025 30.8747 TIMING: 3713400 CPU: 11172.4, 0.00295424/step Wall: 11172.4, 0.00295424/step, 1.05581 hours remaining, 209.914062 MB of memory in use. ENERGY: 3713400 730.9269 2090.2128 1933.6493 115.2239 -206164.2187 17922.1326 0.0000 0.0000 34308.4025 -149063.6708 299.6238 -183372.0733 -148961.7220 299.9490 212.3330 243.6587 556337.6182 -6.7206 -6.6496 PRESSURE: 3713600 -13.3823 36.7269 14.9558 36.7265 87.7344 -2.81102 14.9544 -2.81034 171.018 GPRESSURE: 3713600 25.277 66.2346 -74.9766 31.9556 89.1247 -19.9464 12.9841 6.57879 228.838 PRESSAVG: 3713600 46.1485 -51.8842 77.2908 -51.8842 17.8641 17.9375 77.2909 17.9375 -53.2218 GPRESSAVG: 3713600 46.6253 -50.2302 77.3922 -51.6825 18.1998 17.4558 78.8714 16.6281 -54.391 TIMING: 3713600 CPU: 11173, 0.00296458/step Wall: 11173, 0.00296458/step, 1.05934 hours remaining, 209.914062 MB of memory in use. ENERGY: 3713600 777.7813 2059.2624 1937.8862 112.0720 -206468.0591 18016.4039 0.0000 0.0000 34366.7010 -149197.9523 300.1329 -183564.6533 -149103.3246 300.1375 81.7900 114.4132 556984.4694 3.5969 3.4780 PRESSURE: 3713800 -46.7255 278.955 -104.668 278.957 -168.664 -303.802 -104.668 -303.803 -172.164 GPRESSURE: 3713800 -47.8116 261.719 -100.313 190.169 -180.692 -255.24 -134.542 -275.331 -73.4572 PRESSAVG: 3713800 -28.3843 25.4883 32.0986 25.4883 -28.491 -9.31142 32.0986 -9.3115 22.5852 GPRESSAVG: 3713800 -29.1261 24.6163 32.1558 25.4113 -28.229 -5.9187 31.2574 -11.25 23.3594 TIMING: 3713800 CPU: 11173.6, 0.00295921/step Wall: 11173.6, 0.00295921/step, 1.05726 hours remaining, 209.914062 MB of memory in use. ENERGY: 3713800 730.9455 2098.7053 1924.0011 102.4799 -205891.4104 17498.0479 0.0000 0.0000 34290.5980 -149246.6327 299.4683 -183537.2307 -149142.6310 299.2605 -129.1847 -100.6534 558061.8850 -11.4300 -11.3319 PRESSURE: 3714000 56.6232 71.4365 -89.1178 71.4356 121.842 -10.9964 -89.1176 -10.9964 103.371 GPRESSURE: 3714000 84.2021 74.4807 -68.5213 15.9988 153.955 -24.5298 -102.537 -16.4743 139.094 PRESSAVG: 3714000 -19.5603 6.69745 38.4757 6.69752 18.1239 -50.6362 38.4757 -50.6362 10.8899 GPRESSAVG: 3714000 -18.9226 5.85585 35.0853 8.35116 17.7333 -52.4697 40.2857 -50.0446 11.1055 TIMING: 3714000 CPU: 11174.2, 0.00299687/step Wall: 11174.2, 0.00299687/step, 1.07055 hours remaining, 209.914062 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: 3714000 752.9493 2061.2072 1952.1753 124.3569 -206583.5071 18118.2687 0.0000 0.0000 34273.5668 -149300.9830 299.3196 -183574.5497 -149204.3964 299.2401 93.9457 125.7504 557192.7367 3.1512 3.3054 PRESSURE: 3714200 228.429 38.1832 150.055 38.1821 268.567 190.895 150.055 190.895 169.458 GPRESSURE: 3714200 227.663 48.5297 73.4706 27.1462 345.03 138.615 175.264 141.954 185.532 PRESSAVG: 3714200 -48.5352 -25.5039 11.0636 -25.504 39.048 1.71455 11.0638 1.71457 -28.052 GPRESSAVG: 3714200 -48.5537 -25.1798 16.1979 -26.055 39.427 0.566467 8.56897 2.01005 -28.4141 TIMING: 3714200 CPU: 11174.8, 0.00302793/step Wall: 11174.8, 0.00302793/step, 1.08148 hours remaining, 209.914062 MB of memory in use. ENERGY: 3714200 749.5648 2027.2131 1948.4045 127.2178 -206340.3593 18183.8259 0.0000 0.0000 34121.4504 -149182.6828 297.9911 -183304.1332 -149086.2278 298.7357 222.1513 252.7418 558301.8681 -12.5131 -12.5136 PRESSURE: 3714400 226.322 22.3505 171.042 22.3507 52.3514 -5.5135 171.043 -5.51202 -232.493 GPRESSURE: 3714400 277.897 33.1625 202.409 78.6941 13.12 15.3176 215.899 46.0869 -161.358 PRESSAVG: 3714400 20.0101 36.4758 79.6719 36.4758 -31.0267 -43.9168 79.6719 -43.9169 -10.7891 GPRESSAVG: 3714400 21.0154 37.4092 77.8199 38.4635 -32.6438 -42.0004 80.3572 -45.1879 -10.3944 TIMING: 3714400 CPU: 11175.4, 0.00303974/step Wall: 11175.4, 0.00303974/step, 1.08553 hours remaining, 209.914062 MB of memory in use. ENERGY: 3714400 731.9099 2051.7092 1957.8933 100.3423 -205940.6551 17688.8754 0.0000 0.0000 34302.1773 -149107.7477 299.5694 -183409.9250 -149017.3497 299.5520 15.3936 43.2195 557454.8786 -7.2686 -7.3409 PRESSURE: 3714600 -157.055 65.6532 137.487 65.654 -144.957 115.351 137.487 115.351 -142.06 GPRESSURE: 3714600 -130.435 67.862 151.403 58.3349 -117.153 150.561 156.68 57.7336 -107.514 PRESSAVG: 3714600 116.499 1.87375 -13.623 1.87374 -101.69 27.6602 -13.623 27.6603 21.4132 GPRESSAVG: 3714600 116.193 2.45811 -13.9211 -0.559073 -101.107 26.0105 -13.7399 27.1843 20.6993 TIMING: 3714600 CPU: 11176, 0.00301619/step Wall: 11176, 0.00301619/step, 1.07695 hours remaining, 209.914062 MB of memory in use. ENERGY: 3714600 724.5563 2069.2787 1933.9482 112.8596 -205950.5314 17658.2651 0.0000 0.0000 34326.2314 -149125.3920 299.7795 -183451.6234 -149024.6252 299.1599 -148.0242 -118.3676 559093.5589 12.0741 11.9285 PRESSURE: 3714800 13.7165 -253.406 32.9904 -253.406 92.4352 58.804 32.9894 58.8048 183.611 GPRESSURE: 3714800 1.48307 -201.031 -13.0539 -284.805 151.163 43.0042 -31.8892 10.4628 237.226 PRESSAVG: 3714800 -10.0014 -50.0851 -24.4925 -50.0851 20.3531 -12.7043 -24.4924 -12.7042 -45.6349 GPRESSAVG: 3714800 -9.50135 -51.5266 -24.3573 -50.161 20.5398 -12.8623 -25.1806 -10.7986 -45.9155 TIMING: 3714800 CPU: 11176.6, 0.00299735/step Wall: 11176.6, 0.00299735/step, 1.07005 hours remaining, 209.914062 MB of memory in use. ENERGY: 3714800 739.8688 2086.9246 1933.8334 108.9462 -206301.5013 17990.5348 0.0000 0.0000 34267.6206 -149173.7729 299.2677 -183441.3935 -149079.8084 299.4316 96.5877 129.9573 557373.0552 -11.7611 -11.6257 PRESSURE: 3715000 11.0314 -86.9441 -83.1839 -86.9439 -144.336 -27.5408 -83.1836 -27.5404 213.692 GPRESSURE: 3715000 28.6641 -49.2033 -37.5915 -63.8331 -80.2381 -31.9799 -104.231 -15.1458 221.528 PRESSAVG: 3715000 98.0637 10.557 -38.3287 10.557 -20.7089 1.71946 -38.3287 1.71947 -82.1621 GPRESSAVG: 3715000 97.2094 8.33295 -37.9184 15.2931 -19.7514 0.571273 -38.1506 3.40999 -82.0392 TIMING: 3715000 CPU: 11177.2, 0.0030109/step Wall: 11177.2, 0.0030109/step, 1.07473 hours remaining, 209.914062 MB of memory in use. ENERGY: 3715000 753.2218 2055.4405 1979.1667 115.3825 -205989.7739 17658.0254 0.0000 0.0000 34172.9583 -149255.5788 298.4409 -183428.5370 -149165.2540 299.8301 26.7957 56.6512 556289.9821 -1.6024 -1.5271 PRESSURE: 3715200 19.3973 15.1668 73.5208 15.1683 -226.677 -54.8472 73.5217 -54.8467 -249.138 GPRESSURE: 3715200 6.28177 37.0863 35.4138 -33.6117 -208.83 29.2192 101.145 -99.1441 -154.064 PRESSAVG: 3715200 34.3528 -21.0777 -5.22915 -21.0778 3.94299 -4.55181 -5.22914 -4.55187 -58.6207 GPRESSAVG: 3715200 34.335 -17.5499 -4.06033 -27.6404 3.7224 -3.58733 -5.68916 -6.98954 -58.2346 TIMING: 3715200 CPU: 11177.8, 0.00301091/step Wall: 11177.8, 0.00301091/step, 1.07456 hours remaining, 210.117188 MB of memory in use. ENERGY: 3715200 705.3248 2061.6830 1944.3553 103.0974 -206014.5372 17613.5147 0.0000 0.0000 34283.0305 -149303.5315 299.4022 -183586.5620 -149208.4932 299.1846 -152.1391 -118.8707 558114.4754 -6.7750 -6.7257 PRESSURE: 3715400 21.5582 -26.9057 -51.1174 -26.9044 64.0995 -131.59 -51.1188 -131.59 22.9812 GPRESSURE: 3715400 39.3021 -50.1424 22.8082 -79.7533 73.552 -80.0598 -174.589 -87.9359 84.4307 PRESSAVG: 3715400 70.8881 6.60598 -2.04168 6.60601 -42.2002 -35.3998 -2.04162 -35.3998 -32.561 GPRESSAVG: 3715400 70.2438 5.16291 -3.28713 9.40653 -42.3004 -34.3648 -0.891118 -34.9956 -31.6762 TIMING: 3715400 CPU: 11178.4, 0.0030041/step Wall: 11178.4, 0.0030041/step, 1.07196 hours remaining, 210.117188 MB of memory in use. ENERGY: 3715400 714.4764 2037.6539 1947.2117 108.5713 -206270.8730 17833.1654 0.0000 0.0000 34394.1408 -149235.6533 300.3726 -183629.7941 -149140.1413 299.0869 36.2130 65.7616 556207.5062 -1.2910 -1.2443 PRESSURE: 3715600 -144.578 -29.3334 33.1326 -29.3337 31.7024 35.6283 33.1333 35.6281 134.195 GPRESSURE: 3715600 -53.7107 -29.1798 8.993 -57.196 31.1171 101.954 29.9058 65.6699 154.509 PRESSAVG: 3715600 12.9047 -47.837 -7.38902 -47.837 0.866533 -58.92 -7.38903 -58.92 -48.9414 GPRESSAVG: 3715600 13.676 -47.6139 -8.38202 -49.5044 2.1645 -60.3795 -6.80266 -58.0917 -51.0522 TIMING: 3715600 CPU: 11179, 0.00299377/step Wall: 11179, 0.00299377/step, 1.06811 hours remaining, 210.117188 MB of memory in use. ENERGY: 3715600 742.4543 2040.7326 1934.7142 115.4714 -206101.0422 17773.3858 0.0000 0.0000 34237.1732 -149257.1107 299.0017 -183494.2839 -149159.3528 299.7973 7.1063 43.9717 556816.3554 -11.7234 -11.7373 PRESSURE: 3715800 108.952 -4.16418 92.7322 -4.16345 51.9017 -227.596 92.7316 -227.597 -135.234 GPRESSURE: 3715800 101.262 -9.45346 98.996 29.8648 118.355 -259 105.831 -114.846 -108.427 PRESSAVG: 3715800 0.39153 -3.48521 11.0561 -3.4852 29.7088 -25.1571 11.0561 -25.1572 -9.76292 GPRESSAVG: 3715800 0.368422 -2.23275 12.5739 -2.40988 29.4502 -24.4106 9.84919 -24.2717 -9.08895 TIMING: 3715800 CPU: 11179.6, 0.00302317/step Wall: 11179.6, 0.00302317/step, 1.07843 hours remaining, 210.117188 MB of memory in use. ENERGY: 3715800 742.5626 2081.9572 1944.5647 109.1835 -206516.9834 17954.8577 0.0000 0.0000 34208.8168 -149475.0410 298.7541 -183683.8577 -149375.6889 299.1186 8.5398 37.0632 556910.4359 6.7791 6.9099 PRESSURE: 3716000 -93.9246 -100.007 -17.2433 -100.007 -225.657 19.4319 -17.2419 19.4323 -263.133 GPRESSURE: 3716000 -88.3299 -62.0976 30.7385 -197.896 -173.351 -4.7651 21.6673 44.6809 -239.202 PRESSAVG: 3716000 0.404403 -61.5708 -4.46716 -61.5709 66.5085 -49.7245 -4.46721 -49.7245 -85.7972 GPRESSAVG: 3716000 0.0993831 -61.5101 -5.06144 -61.0283 66.5642 -49.5504 -2.92971 -49.6643 -85.4844 TIMING: 3716000 CPU: 11180.2, 0.00302089/step Wall: 11180.2, 0.00302089/step, 1.07745 hours remaining, 210.117188 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: 3716000 784.6268 2075.7739 1966.9924 115.8696 -206649.9414 17931.9533 0.0000 0.0000 34300.4084 -149474.3170 299.5540 -183774.7254 -149378.0517 299.2593 -194.2382 -166.9610 557451.8312 -6.2948 -6.2736 PRESSURE: 3716200 -148.379 -31.9225 -41.2971 -31.9232 -162.065 -107.883 -41.2979 -107.883 -188.519 GPRESSURE: 3716200 -57.1501 -27.8238 -44.8815 -21.4406 -119.907 -104.831 -65.2488 -50.2564 -215.176 PRESSAVG: 3716200 47.9363 -40.5391 13.9718 -40.5391 6.40921 -18.7315 13.9718 -18.7315 -56.3687 GPRESSAVG: 3716200 48.1083 -39.037 15.6168 -41.7951 6.12894 -18.6958 12.0332 -19.4107 -56.0997 TIMING: 3716200 CPU: 11180.8, 0.00302844/step Wall: 11180.8, 0.00302844/step, 1.07997 hours remaining, 210.117188 MB of memory in use. ENERGY: 3716200 738.0460 2026.7918 1912.6323 110.1058 -206071.2230 17779.0663 0.0000 0.0000 34054.4243 -149450.1564 297.4058 -183504.5807 -149352.7583 298.3946 -166.3210 -130.7445 557034.0651 -0.6744 -0.6208 LDB: ============= START OF LOAD BALANCING ============== 11184.4 LDB: ============== END OF LOAD BALANCING =============== 11184.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11184.4 LDB: ============= START OF LOAD BALANCING ============== 11184.7 LDB: Largest compute 4802 load 0.028097 is 23.8% of average load 0.118250 LDB: Average compute 0.001705 is 1.4% of average load 0.118250 LDB: TIME 11184.7 LOAD: AVG 0.11825 MAX 0.214659 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.996 MB LDB: TIME 11184.7 LOAD: AVG 0.11825 MAX 0.214659 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: TIME 11184.7 LOAD: AVG 0.11825 MAX 0.214659 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11184.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11184.7 PRESSURE: 3716400 41.9337 -113.791 -75.5242 -113.792 -13.3997 14.1226 -75.5223 14.1226 -277.005 GPRESSURE: 3716400 101.822 -144.717 -82.1278 -134.707 -16.2576 -8.80459 -79.1217 59.1446 -236.912 PRESSAVG: 3716400 27.9468 4.95278 -45.5492 4.95292 -55.5672 -37.6737 -45.5492 -37.6738 10.1039 GPRESSAVG: 3716400 28.3324 3.11277 -45.1824 7.26481 -55.9365 -38.3915 -45.3162 -37.3697 10.1396 TIMING: 3716400 CPU: 11181.5, 0.00310132/step Wall: 11181.5, 0.00310132/step, 1.10579 hours remaining, 208.226562 MB of memory in use. ENERGY: 3716400 756.0581 2031.2620 1962.5468 124.5252 -206188.5103 17658.9807 0.0000 0.0000 34167.0751 -149488.0623 298.3896 -183655.1374 -149396.5981 298.6513 -82.8236 -50.4493 556679.4375 -5.8389 -5.8215 PRESSURE: 3716600 101.084 -85.4123 -30.026 -85.4113 -71.9511 250.031 -30.0259 250.03 -40.3312 GPRESSURE: 3716600 122.018 -28.0161 -37.4744 -73.5668 -24.0597 331.261 40.8057 159.334 -27.8776 PRESSAVG: 3716600 3.87445 67.0468 -65.7372 67.0467 45.8859 -10.5948 -65.7372 -10.5948 -29.8632 GPRESSAVG: 3716600 3.91879 67.374 -68.6246 64.4368 45.1846 -11.0937 -63.8845 -9.98806 -30.1283 TIMING: 3716600 CPU: 11182.1, 0.00302382/step Wall: 11182.1, 0.00302382/step, 1.07799 hours remaining, 208.429688 MB of memory in use. ENERGY: 3716600 732.1998 2075.2955 1924.9355 103.0157 -206288.9974 17868.0992 0.0000 0.0000 34211.8287 -149373.6230 298.7804 -183585.4517 -149273.1933 298.0358 -3.7327 23.3604 557623.9828 6.6324 6.3250 PRESSURE: 3716800 -182.662 79.6024 -11.26 79.601 -124.666 -78.8688 -11.2601 -78.8654 74.5655 GPRESSURE: 3716800 -172.914 33.7898 57.7004 138.055 -75.1456 -26.1597 -53.6695 -107.088 111.355 PRESSAVG: 3716800 -3.9202 -69.1649 28.5079 -69.1649 -48.6772 8.55134 28.5079 8.5514 57.8644 GPRESSAVG: 3716800 -4.71309 -67.3862 30.8001 -69.8728 -47.6839 9.00964 26.2988 9.18502 58.3741 TIMING: 3716800 CPU: 11182.7, 0.00300221/step Wall: 11182.7, 0.00300221/step, 1.07012 hours remaining, 208.429688 MB of memory in use. ENERGY: 3716800 754.6656 2066.0922 1911.5202 116.8533 -206294.4416 17942.9067 0.0000 0.0000 34222.9402 -149279.4633 298.8774 -183502.4036 -149185.0756 298.4559 -77.5873 -45.5683 558656.4146 1.7556 1.9924 PRESSURE: 3717000 -145.142 18.1725 -63.4039 18.1724 69.8595 -66.0901 -63.4041 -66.0905 -372.251 GPRESSURE: 3717000 -95.607 93.977 -46.8333 5.05136 80.4462 -99.0387 -59.1575 -49.7669 -325.442 PRESSAVG: 3717000 -43.8447 26.0269 22.7037 26.0269 57.972 24.9402 22.7036 24.9402 -36.8355 GPRESSAVG: 3717000 -42.2615 24.8922 20.3037 28.59 57.2145 25.3749 24.7212 24.3444 -37.1279 TIMING: 3717000 CPU: 11183.3, 0.00298976/step Wall: 11183.3, 0.00298976/step, 1.06552 hours remaining, 208.429688 MB of memory in use. ENERGY: 3717000 801.5956 2080.3475 1932.7888 118.1717 -206496.6828 17983.6808 0.0000 0.0000 34300.1590 -149279.9395 299.5518 -183580.0985 -149182.6911 298.8290 -149.1778 -113.5342 557943.3841 -7.5694 -7.3916 PRESSURE: 3717200 -46.6019 107.697 69.8323 107.697 -31.4024 -51.8768 69.8326 -51.876 -57.5086 GPRESSURE: 3717200 14.8714 50.4633 147.787 162.686 -47.5899 -75.3137 77.3041 25.8114 -0.641556 PRESSAVG: 3717200 4.30162 61.0271 -22.6054 61.0271 31.8759 6.62108 -22.6054 6.62096 6.45256 GPRESSAVG: 3717200 2.55218 60.9714 -18.5669 58.6641 32.1833 7.51162 -23.1284 4.60545 7.95018 TIMING: 3717200 CPU: 11183.9, 0.00299838/step Wall: 11183.9, 0.00299838/step, 1.06842 hours remaining, 208.429688 MB of memory in use. ENERGY: 3717200 716.2175 2096.6365 1936.7781 110.3956 -206229.3078 17716.2224 0.0000 0.0000 34245.1559 -149407.9019 299.0715 -183653.0578 -149319.3917 298.6224 -45.1710 -11.1200 558197.3820 14.2100 14.2285 PRESSURE: 3717400 -86.82 -103.314 1.08969 -103.313 -301.319 132.275 1.08738 132.276 -193.462 GPRESSURE: 3717400 -87.9382 31.9081 -2.16118 -122.792 -242.123 185.608 -42.4158 130.524 -156.267 PRESSAVG: 3717400 -34.1328 -3.12061 -43.4911 -3.12062 -6.38924 -5.77311 -43.491 -5.77312 8.752 GPRESSAVG: 3717400 -33.69 -3.52614 -48.1928 -1.65809 -5.28635 -6.43928 -45.2705 -4.22093 7.68193 TIMING: 3717400 CPU: 11184.5, 0.00298804/step Wall: 11184.5, 0.00298804/step, 1.06457 hours remaining, 208.429688 MB of memory in use. ENERGY: 3717400 732.1998 2088.2657 1907.5072 114.2820 -206097.4542 17685.3328 0.0000 0.0000 34315.4736 -149254.3931 299.6856 -183569.8667 -149155.1939 299.5348 -193.8669 -162.1093 556737.5568 -10.5900 -10.4315 PRESSURE: 3717600 -249.677 -55.4451 -67.9208 -55.4451 -301.498 -51.4853 -67.9203 -51.4853 -231.607 GPRESSURE: 3717600 -234.918 -104.14 -66.2015 18.5717 -254.666 -199.757 -64.3502 3.79171 -193.828 PRESSAVG: 3717600 -67.608 -36.3968 -16.9466 -36.3968 46.3615 -18.0288 -16.9465 -18.0288 31.3955 GPRESSAVG: 3717600 -65.5424 -37.5142 -16.2054 -36.4246 44.8743 -18.6525 -16.4417 -17.8729 30.8295 TIMING: 3717600 CPU: 11185.1, 0.00294839/step Wall: 11185.1, 0.00294839/step, 1.05028 hours remaining, 208.429688 MB of memory in use. ENERGY: 3717600 796.7456 1970.3438 1946.0652 116.1185 -206163.7578 17600.1673 0.0000 0.0000 34412.4826 -149321.8348 300.5328 -183734.3174 -149226.5183 299.4318 -260.9272 -227.8039 555438.2242 3.3830 3.3871 PRESSURE: 3717800 28.0696 -124.221 47.1044 -124.222 164.077 -2.21359 47.1037 -2.21384 249.85 GPRESSURE: 3717800 60.4474 -84.4361 18.4216 -146.4 171.944 67.2023 129.315 -61.1312 287.907 PRESSAVG: 3717800 13.6298 -5.32167 -10.7788 -5.32168 -28.325 -3.74437 -10.7788 -3.74437 50.2592 GPRESSAVG: 3717800 11.6455 -4.49538 -10.0836 -3.93369 -27.7783 -3.42916 -8.02727 -5.5762 50.9528 TIMING: 3717800 CPU: 11185.7, 0.00296428/step Wall: 11185.7, 0.00296428/step, 1.05578 hours remaining, 208.429688 MB of memory in use. ENERGY: 3717800 683.4265 2127.1997 1931.6423 117.2540 -206468.3481 17931.8461 0.0000 0.0000 34253.6297 -149423.3497 299.1455 -183676.9795 -149323.8085 299.5262 147.3321 173.4327 557006.1062 11.8547 11.6067 PRESSURE: 3718000 198.142 120.388 -67.86 120.386 -237.99 -4.19887 -67.8583 -4.19784 -150.054 GPRESSURE: 3718000 292.776 42.4359 -68.2507 156.714 -275.879 30.237 -45.7092 5.46662 -104.89 PRESSAVG: 3718000 17.2814 -13.5729 -9.78676 -13.5729 12.1922 -5.19603 -9.78671 -5.19608 -27.4388 GPRESSAVG: 3718000 17.6053 -14.3592 -7.7466 -14.2898 11.2975 -6.06155 -12.0464 -4.8199 -27.178 TIMING: 3718000 CPU: 11186.3, 0.00299442/step Wall: 11186.3, 0.00299442/step, 1.06635 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: 3718000 737.9224 2094.2233 1934.1456 117.9995 -206205.2112 17722.8336 0.0000 0.0000 34091.4881 -149506.5987 297.7294 -183598.0867 -149413.2752 297.6433 -63.3010 -29.3310 557559.0771 0.6783 0.5749 PRESSURE: 3718200 -159.202 32.1571 -139.439 32.158 -42.379 -29.387 -139.44 -29.3863 -142.952 GPRESSURE: 3718200 -99.9833 67.5971 -179.323 60.8609 7.61118 -44.8845 -144.414 -8.71587 -152.48 PRESSAVG: 3718200 58.4559 44.8327 29.7121 44.8327 -2.2687 71.6719 29.712 71.6718 -41.8467 GPRESSAVG: 3718200 59.3182 44.2232 28.177 45.4694 -3.12068 71.3501 28.9169 73.3305 -41.4379 TIMING: 3718200 CPU: 11186.8, 0.0029815/step Wall: 11186.8, 0.0029815/step, 1.06158 hours remaining, 208.429688 MB of memory in use. ENERGY: 3718200 787.1267 2048.6444 1937.0817 114.3363 -205946.4999 17549.6293 0.0000 0.0000 34365.0841 -149144.5974 300.1188 -183509.6815 -149047.5482 298.6737 -114.8442 -81.6175 555822.0298 4.7802 4.9199 PRESSURE: 3718400 116.929 89.4166 114.549 89.4154 87.3899 24.9504 114.552 24.95 217.7 GPRESSURE: 3718400 161.126 90.0726 66.0776 123.133 108.992 69.308 128.887 -3.40832 250.122 PRESSAVG: 3718400 24.6039 26.505 12.3875 26.505 4.16376 6.13039 12.3875 6.13041 -5.85717 GPRESSAVG: 3718400 23.4602 27.0574 14.4343 25.8803 5.73036 8.62294 11.8485 5.27209 -6.50386 TIMING: 3718400 CPU: 11187.4, 0.00300348/step Wall: 11187.4, 0.00300348/step, 1.06924 hours remaining, 208.429688 MB of memory in use. ENERGY: 3718400 737.1835 2016.9233 1938.8995 112.7289 -206391.1302 17924.4369 0.0000 0.0000 34425.1245 -149235.8335 300.6432 -183660.9580 -149137.8391 299.1633 140.6731 173.4132 556049.7749 7.6368 7.5622 PRESSURE: 3718600 103.873 -178.588 -15.8094 -178.588 64.687 17.0925 -15.809 17.0941 138.444 GPRESSURE: 3718600 178.229 -168.33 -65.1354 -230.695 93.6142 58.038 -1.38373 -5.69565 129.84 PRESSAVG: 3718600 42.6086 -25.9773 35.2794 -25.9773 -36.4703 19.8279 35.2795 19.8279 34.2801 GPRESSAVG: 3718600 42.5912 -25.7083 35.3674 -26.3572 -36.4372 18.0339 35.6366 19.42 34.0439 TIMING: 3718600 CPU: 11188.1, 0.00301996/step Wall: 11188.1, 0.00301996/step, 1.07494 hours remaining, 208.429688 MB of memory in use. ENERGY: 3718600 755.5441 2032.4152 1934.5098 114.6159 -206425.5656 17903.4912 0.0000 0.0000 34485.8125 -149199.1768 301.1732 -183684.9893 -149096.9903 299.2141 102.3345 133.8946 555625.5320 13.4728 13.3993 PRESSURE: 3718800 -242.428 -187.943 -158.706 -187.942 -31.9455 135.91 -158.706 135.91 -122.741 GPRESSURE: 3718800 -224.283 -207.581 -185.314 -120.748 7.98437 23.2553 -108.356 189.045 -89.2666 PRESSAVG: 3718800 -15.782 -63.3182 -63.9032 -63.3182 41.3831 76.1262 -63.9032 76.1262 14.6935 GPRESSAVG: 3718800 -15.044 -62.0048 -64.8145 -64.8558 41.0279 76.1162 -63.5003 77.117 14.3929 TIMING: 3718800 CPU: 11188.6, 0.00297107/step Wall: 11188.6, 0.00297107/step, 1.05737 hours remaining, 208.429688 MB of memory in use. ENERGY: 3718800 755.3143 2107.4102 1953.3262 111.4457 -206044.1297 17709.0173 0.0000 0.0000 34142.2815 -149265.3344 298.1730 -183407.6159 -149177.4247 299.7410 -132.3715 -101.8549 556848.0336 13.4315 13.4589 PRESSURE: 3719000 -195.506 -93.4491 52.893 -93.4475 -248.412 128.508 52.894 128.51 -285.306 GPRESSURE: 3719000 -116.26 -25.1196 35.8378 -153.906 -260.839 111.408 76.593 96.3633 -242.814 PRESSAVG: 3719000 50.247 -36.5224 -19.3654 -36.5225 25.2443 4.40315 -19.3654 4.40323 -97.7588 GPRESSAVG: 3719000 50.5929 -37.7466 -19.9201 -35.1924 24.3986 3.20491 -19.9875 5.41304 -96.7449 TIMING: 3719000 CPU: 11189.2, 0.00299787/step Wall: 11189.2, 0.00299787/step, 1.06674 hours remaining, 208.429688 MB of memory in use. ENERGY: 3719000 688.5329 2044.8673 1922.7158 107.1601 -205556.4574 17256.1031 0.0000 0.0000 34318.3523 -149218.7260 299.7107 -183537.0782 -149120.4811 299.3430 -243.0749 -206.6377 557538.4834 -7.4225 -7.2511 PRESSURE: 3719200 -365.642 -68.9059 51.867 -68.906 -82.1417 164.746 51.8661 164.747 -90.2221 GPRESSURE: 3719200 -295.264 -41.152 101.778 -45.9612 -52.4617 152.163 48.1331 149.95 -88.706 PRESSAVG: 3719200 -56.8377 -30.4731 -66.6475 -30.4731 67.6949 55.9606 -66.6474 55.9606 -41.004 GPRESSAVG: 3719200 -55.7718 -30.6714 -65.4783 -29.502 67.7356 58.1133 -66.6633 53.3859 -42.1804 TIMING: 3719200 CPU: 11189.9, 0.00303204/step Wall: 11189.9, 0.00303204/step, 1.07873 hours remaining, 208.429688 MB of memory in use. ENERGY: 3719200 727.7836 2035.2263 1957.1436 105.9056 -205765.9231 17525.7535 0.0000 0.0000 34116.6451 -149297.4655 297.9491 -183414.1105 -149202.1999 298.4503 -179.3351 -145.4772 557432.6523 -10.0489 -10.0722 PRESSURE: 3719400 0.646575 -82.1737 -43.5579 -82.1727 365.023 -9.11511 -43.5571 -9.11437 187.074 GPRESSURE: 3719400 49.398 -144.165 -34.1314 2.65117 398.154 -10.5498 9.17311 68.3006 200.109 PRESSAVG: 3719400 -68.8857 34.2046 -8.35704 34.2047 42.869 9.74028 -8.35695 9.7403 9.53935 GPRESSAVG: 3719400 -70.0055 34.2116 -10.4632 32.7737 42.8642 9.02574 -8.26898 12.0602 10.4436 TIMING: 3719400 CPU: 11190.5, 0.00303262/step Wall: 11190.5, 0.00303262/step, 1.07877 hours remaining, 208.429688 MB of memory in use. ENERGY: 3719400 762.0079 2059.3693 1921.1538 99.4577 -206480.9627 18055.2361 0.0000 0.0000 34108.5702 -149475.1677 297.8786 -183583.7379 -149376.2418 298.9308 184.2479 215.8870 555637.2264 -5.4924 -5.5659 PRESSURE: 3719600 -156.147 175.572 26.7113 175.573 114.256 27.0079 26.711 27.0076 2.42969 GPRESSURE: 3719600 -91.4026 230.407 31.0307 117.132 101.122 28.6215 8.49247 7.34704 55.057 PRESSAVG: 3719600 11.5811 -1.19746 -15.2974 -1.19752 12.8813 41.3067 -15.2974 41.3067 -36.6619 GPRESSAVG: 3719600 11.6036 -0.0690057 -13.7598 -0.301719 14.1823 40.9666 -14.6796 39.9387 -37.8608 TIMING: 3719600 CPU: 11191.1, 0.00296908/step Wall: 11191.1, 0.00296908/step, 1.056 hours remaining, 208.429688 MB of memory in use. ENERGY: 3719600 731.2877 2059.1931 1996.6365 105.3471 -206349.6536 17914.2415 0.0000 0.0000 34167.1514 -149375.7963 298.3902 -183542.9477 -149281.6504 298.1680 -13.1535 21.5922 557675.3076 -4.0665 -4.0250 PRESSURE: 3719800 -107.147 -81.8225 111.953 -81.8212 -6.58061 -80.5313 111.953 -80.5318 -158.255 GPRESSURE: 3719800 -47.5555 26.3526 66.6946 -168.844 16.9942 -130.064 67.3381 -7.47589 -139.712 PRESSAVG: 3719800 17.9719 24.0049 25.9635 24.005 -11.2437 4.13498 25.9636 4.1349 -3.50298 GPRESSAVG: 3719800 17.7483 24.7682 26.7328 22.2918 -12.4868 2.5607 25.7716 5.4151 -2.80865 TIMING: 3719800 CPU: 11191.6, 0.00298445/step Wall: 11191.6, 0.00298445/step, 1.06131 hours remaining, 208.429688 MB of memory in use. ENERGY: 3719800 719.6248 2098.4889 1917.5137 115.6573 -206374.9280 17789.7729 0.0000 0.0000 34271.1040 -149462.7664 299.2981 -183733.8704 -149364.7352 298.6178 -90.6609 -56.7579 556910.0156 1.0751 0.8176 PRESSURE: 3720000 63.9689 47.3333 1.93715 47.333 52.8536 46.2915 1.93676 46.2906 -209.331 GPRESSURE: 3720000 148.19 -9.18466 9.90164 30.9117 66.5148 33.9245 -33.9667 -16.5309 -209.698 PRESSAVG: 3720000 30.1325 -13.646 23.1652 -13.6461 3.8605 -18.6755 23.1652 -18.6755 -36.428 GPRESSAVG: 3720000 30.2338 -15.068 19.9618 -12.6442 4.59802 -17.9169 26.0952 -20.0452 -37.0827 TIMING: 3720000 CPU: 11192.2, 0.0029924/step Wall: 11192.2, 0.0029924/step, 1.06397 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: 3720000 709.0794 2073.2133 1931.5592 105.4476 -206071.7256 17719.8513 0.0000 0.0000 34143.4364 -149389.1384 298.1831 -183532.5748 -149292.2931 298.7784 -30.8363 1.6691 556272.6834 -0.8117 -0.7503 PRESSURE: 3720200 -126.848 -68.9635 -20.7819 -68.9642 -136.478 -3.18088 -20.7825 -3.17951 23.4925 GPRESSURE: 3720200 -97.5268 -100.163 14.872 13.4004 -138.519 -26.901 -54.2315 14.906 77.3793 PRESSAVG: 3720200 -14.7229 11.2048 17.1305 11.2047 57.5204 -3.06554 17.1306 -3.06556 -9.9065 GPRESSAVG: 3720200 -15.301 10.6303 17.4403 10.3294 57.1378 -2.15856 15.5346 -2.95448 -8.82258 TIMING: 3720200 CPU: 11192.8, 0.00298331/step Wall: 11192.8, 0.00298331/step, 1.06057 hours remaining, 208.429688 MB of memory in use. ENERGY: 3720200 743.9702 2069.3516 1946.5369 133.6779 -206168.2054 17710.6734 0.0000 0.0000 34093.7539 -149470.2415 297.7492 -183563.9954 -149377.1854 299.1020 -79.9444 -52.8888 557123.2146 10.9637 11.0047 LDB: ============= START OF LOAD BALANCING ============== 11196.4 LDB: ============== END OF LOAD BALANCING =============== 11196.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11196.4 LDB: ============= START OF LOAD BALANCING ============== 11196.7 LDB: Largest compute 4802 load 0.030252 is 25.6% of average load 0.118290 LDB: Average compute 0.001709 is 1.4% of average load 0.118290 LDB: TIME 11196.7 LOAD: AVG 0.11829 MAX 0.209686 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.715 MB LDB: TIME 11196.7 LOAD: AVG 0.11829 MAX 0.209686 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.715 MB LDB: TIME 11196.7 LOAD: AVG 0.11829 MAX 0.209686 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.715 MB LDB: ============== END OF LOAD BALANCING =============== 11196.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11196.7 PRESSURE: 3720400 126.291 -62.5167 -30.322 -62.5165 -23.6351 255.893 -30.3225 255.892 -266.231 GPRESSURE: 3720400 81.5226 -78.9273 23.8376 -151.268 26.051 237.052 -128.482 203.234 -178.313 PRESSAVG: 3720400 -6.96727 -15.8792 -6.97082 -15.8793 45.3033 1.60293 -6.97078 1.60297 -8.25754 GPRESSAVG: 3720400 -7.63697 -14.8871 -4.57334 -15.3533 45.8949 0.651263 -7.75024 1.64214 -8.2001 TIMING: 3720400 CPU: 11193.5, 0.00303063/step Wall: 11193.5, 0.00303063/step, 1.07722 hours remaining, 210.800781 MB of memory in use. ENERGY: 3720400 784.3269 2071.1606 1914.4009 116.5659 -206372.6238 17753.9354 0.0000 0.0000 34281.9069 -149450.3273 299.3924 -183732.2341 -149354.7329 298.7898 -54.5248 -23.5797 557447.4040 10.0262 10.0193 PRESSURE: 3720600 -38.0628 -122.436 -94.5058 -122.435 -135.058 175.293 -94.5051 175.293 -78.8438 GPRESSURE: 3720600 -9.98191 -138.811 -49.9381 -125.951 -74.436 100.042 -159.578 126.502 -64.3063 PRESSAVG: 3720600 -14.2291 -15.2179 -30.3682 -15.218 10.0385 62.826 -30.3682 62.8261 -46.7289 GPRESSAVG: 3720600 -12.869 -16.7546 -31.2285 -15.9434 9.85912 62.4327 -29.255 63.4156 -47.7056 TIMING: 3720600 CPU: 11194, 0.00297037/step Wall: 11194, 0.00297037/step, 1.05564 hours remaining, 211.003906 MB of memory in use. ENERGY: 3720600 788.6035 2069.0849 1923.6141 116.2628 -206357.9824 17853.9762 0.0000 0.0000 34231.1809 -149375.2600 298.9494 -183606.4409 -149275.1306 299.0112 -83.9881 -49.5747 556135.5532 -16.9732 -16.9051 PRESSURE: 3720800 11.7901 -83.1464 -195.116 -83.1461 -151.937 3.75745 -195.115 3.75842 -171.639 GPRESSURE: 3720800 39.143 -128.65 -190.581 -69.8528 -76.5323 -65.2471 -115.115 50.033 -175.308 PRESSAVG: 3720800 11.2867 -13.3429 -22.5879 -13.343 50.0183 -8.21011 -22.5879 -8.21015 -53.2142 GPRESSAVG: 3720800 11.4809 -10.6836 -22.4927 -14.0377 50.6563 -7.4958 -23.0934 -8.44719 -53.9919 TIMING: 3720800 CPU: 11194.6, 0.00300182/step Wall: 11194.6, 0.00300182/step, 1.06665 hours remaining, 211.003906 MB of memory in use. ENERGY: 3720800 712.9709 2044.8275 1919.6497 103.6564 -206096.0383 17592.9070 0.0000 0.0000 34212.3007 -149509.7261 298.7845 -183722.0268 -149417.1505 298.8191 -103.9288 -70.8990 557476.5559 2.6970 2.7151 PRESSURE: 3721000 87.1754 22.1967 -178.731 22.1945 15.8824 -52.9569 -178.731 -52.9556 -38.2046 GPRESSURE: 3721000 159.284 23.9965 -164.614 -13.2739 41.8371 -42.8703 -146.956 6.36016 -44.3026 PRESSAVG: 3721000 12.0712 -38.1919 2.71772 -38.1918 33.7874 -17.5735 2.7177 -17.5736 -54.9724 GPRESSAVG: 3721000 11.9115 -40.4056 2.47958 -36.9039 32.7484 -17.406 2.75046 -16.8048 -54.4867 TIMING: 3721000 CPU: 11195.2, 0.00296305/step Wall: 11195.2, 0.00296305/step, 1.05271 hours remaining, 211.003906 MB of memory in use. ENERGY: 3721000 742.7168 2067.4556 1949.5200 99.6892 -206596.8282 17972.2233 0.0000 0.0000 34247.6996 -149517.5238 299.0937 -183765.2233 -149417.4418 298.4509 21.6177 52.2728 558744.1239 -3.0379 -3.2756 PRESSURE: 3721200 16.2277 93.3253 -87.9922 93.3262 -165.466 -151.797 -87.992 -151.796 86.2682 GPRESSURE: 3721200 44.6789 48.0139 -117.211 141.982 -138.137 -153.516 -160.677 -86.8084 125.154 PRESSAVG: 3721200 24.6994 52.9952 -74.4443 52.9953 -1.66921 1.36361 -74.4443 1.36365 3.84076 GPRESSAVG: 3721200 24.4134 53.7272 -74.4351 53.8377 -2.00896 1.86503 -73.545 -0.223245 4.58314 TIMING: 3721200 CPU: 11195.8, 0.00299075/step Wall: 11195.8, 0.00299075/step, 1.06238 hours remaining, 211.003906 MB of memory in use. ENERGY: 3721200 754.6785 2028.4632 1952.0833 110.9731 -206526.6643 18015.1892 0.0000 0.0000 34229.0831 -149436.1939 298.9311 -183665.2769 -149339.4777 298.4229 -20.9899 10.5650 557916.8393 8.9570 8.9959 PRESSURE: 3721400 -60.5449 79.2293 49.9508 79.2282 15.4211 46.6053 49.9495 46.6045 238.939 GPRESSURE: 3721400 -26.2416 69.7265 25.4314 103.255 23.3749 131.054 61.553 -34.3284 292.021 PRESSAVG: 3721400 -76.2587 24.6247 28.6687 24.6247 -11.1107 35.2994 28.6686 35.2994 95.4883 GPRESSAVG: 3721400 -76.0727 25.2663 28.7959 24.2846 -11.0627 34.3592 29.9024 37.2568 94.9777 TIMING: 3721400 CPU: 11196.4, 0.0029897/step Wall: 11196.4, 0.0029897/step, 1.06184 hours remaining, 211.003906 MB of memory in use. ENERGY: 3721400 714.3520 2025.1659 1945.1685 112.5456 -206170.8223 17893.7517 0.0000 0.0000 33963.5461 -149516.2924 296.6121 -183479.8386 -149417.2452 298.6533 64.6051 96.3848 557682.1696 2.7063 2.6141 PRESSURE: 3721600 100.304 129.919 171.316 129.919 236.736 13.0808 171.315 13.0798 294.968 GPRESSURE: 3721600 156.684 133.581 174.047 85.4149 264.085 -95.8971 258.641 33.0603 306.851 PRESSAVG: 3721600 -15.2222 21.1437 29.3981 21.1437 12.1301 16.9982 29.3982 16.9981 40.6343 GPRESSAVG: 3721600 -15.16 21.146 31.0265 19.7117 12.3246 16.9636 30.0871 17.2542 40.2396 TIMING: 3721600 CPU: 11197, 0.00295819/step Wall: 11197, 0.00295819/step, 1.05049 hours remaining, 211.003906 MB of memory in use. ENERGY: 3721600 740.2382 2095.5939 1903.4368 117.1608 -206657.2795 18308.9376 0.0000 0.0000 34027.0985 -149464.8136 297.1671 -183491.9120 -149373.9676 298.0292 210.6691 242.5399 557206.2609 12.5140 12.4681 PRESSURE: 3721800 -72.8254 -162.43 -70.4069 -162.429 -97.7073 -14.8604 -70.4067 -14.8583 -219.966 GPRESSURE: 3721800 -90.4263 -221.962 -27.9971 -165.02 -46.6567 -3.30035 -92.8102 -0.652975 -157.833 PRESSAVG: 3721800 18.7691 -25.645 9.99069 -25.645 -0.00764583 23.7358 9.99066 23.7358 -2.15646 GPRESSAVG: 3721800 18.194 -24.8506 7.89943 -25.7591 0.435733 24.3408 10.6153 23.5067 -1.99585 TIMING: 3721800 CPU: 11197.6, 0.00301001/step Wall: 11197.6, 0.00301001/step, 1.06872 hours remaining, 211.003906 MB of memory in use. ENERGY: 3721800 756.6296 2035.2906 1920.6701 111.5934 -206101.4141 17759.0758 0.0000 0.0000 34075.1862 -149442.9684 297.5871 -183518.1545 -149350.4904 298.0588 -130.1661 -98.3055 559192.4673 5.5350 5.5446 PRESSURE: 3722000 -208.936 14.1646 -85.0432 14.1642 -149.47 -148.593 -85.044 -148.593 91.0324 GPRESSURE: 3722000 -216.282 8.72332 -39.3669 69.6049 -101.28 -200.637 -83.1921 -49.2853 151.374 PRESSAVG: 3722000 3.06345 10.3535 -12.4211 10.3534 23.2698 -17.3348 -12.4211 -17.3348 -33.6456 GPRESSAVG: 3722000 3.89195 9.72572 -12.1293 10.4494 23.3434 -18.6966 -13.5924 -17.6445 -34.0968 TIMING: 3722000 CPU: 11198.2, 0.00304307/step Wall: 11198.2, 0.00304307/step, 1.08029 hours remaining, 211.003906 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: 3722000 724.0221 1989.7104 1936.8815 112.4040 -206045.2675 17714.0038 0.0000 0.0000 34076.0155 -149492.2302 297.5943 -183568.2457 -149391.4654 297.7977 -89.1246 -55.3962 558668.1465 -2.4375 -2.2872 PRESSURE: 3722200 131.574 -5.19442 -3.5589 -5.19455 83.4942 -80.5916 -3.56027 -80.5929 -44.707 GPRESSURE: 3722200 162.156 22.726 -0.151387 1.98478 121.571 -12.6433 24.2304 -219.245 -15.3776 PRESSAVG: 3722200 -36.7033 10.2792 -27.4649 10.2792 5.48577 -7.95095 -27.4649 -7.95081 2.70351 GPRESSAVG: 3722200 -38.6074 11.1053 -26.8938 12.7309 5.72061 -7.34641 -28.7149 -6.4025 4.47575 TIMING: 3722200 CPU: 11198.8, 0.00299481/step Wall: 11198.8, 0.00299481/step, 1.06299 hours remaining, 211.003906 MB of memory in use. ENERGY: 3722200 716.7346 2027.1803 1933.6732 101.7327 -206300.6850 17817.3722 0.0000 0.0000 34154.9132 -149549.0789 298.2834 -183703.9920 -149451.5508 298.5605 56.7872 89.4495 555983.9344 -9.5047 -9.4703 PRESSURE: 3722400 -51.0174 -74.8754 -167.151 -74.8748 -19.0078 48.6603 -167.151 48.6593 -167.72 GPRESSURE: 3722400 34.2487 -121.875 -240.007 11.2827 -35.4265 27.9977 -185.229 47.093 -154.446 PRESSAVG: 3722400 -6.8691 10.9869 12.753 10.9869 82.7015 -37.042 12.7529 -37.0421 -72.7119 GPRESSAVG: 3722400 -6.04668 9.9546 12.9697 9.9154 82.5919 -36.3195 11.6893 -37.6295 -73.0433 TIMING: 3722400 CPU: 11199.4, 0.00300272/step Wall: 11199.4, 0.00300272/step, 1.06563 hours remaining, 211.003906 MB of memory in use. ENERGY: 3722400 743.0679 2103.4559 1927.6132 128.0950 -206231.5455 17770.5961 0.0000 0.0000 34224.9544 -149333.7629 298.8950 -183558.7173 -149246.8134 298.5068 -79.2484 -51.8745 556213.1517 1.0402 1.1673 PRESSURE: 3722600 -39.0112 -84.1005 -83.5403 -84.1003 -107.08 98.0816 -83.5401 98.0819 108.466 GPRESSURE: 3722600 18.4409 -131.286 -53.1843 -27.1821 -88.5928 51.1503 -115.13 128.534 111.839 PRESSAVG: 3722600 -7.36268 -2.6949 -44.2618 -2.69492 3.96058 25.2829 -44.2618 25.2829 -15.1807 GPRESSAVG: 3722600 -6.8613 -3.67649 -45.4459 -3.29749 4.03335 23.9634 -43.458 25.5619 -15.3477 TIMING: 3722600 CPU: 11200, 0.00297317/step Wall: 11200, 0.00297317/step, 1.05498 hours remaining, 211.003906 MB of memory in use. ENERGY: 3722600 716.5830 2125.5173 1953.4584 133.0109 -206080.0976 17643.2165 0.0000 0.0000 34085.4445 -149422.8669 297.6767 -183508.3114 -149326.3054 299.2909 -12.5418 13.8956 556196.6818 -6.1943 -6.0585 PRESSURE: 3722800 -113.443 34.981 -68.8982 34.9817 40.6422 -36.0734 -68.8992 -36.0732 -80.879 GPRESSURE: 3722800 -100.734 -54.1421 -81.4674 88.4266 53.6265 108.875 -23.3518 -57.7163 0.615093 PRESSAVG: 3722800 -30.8277 -8.48706 -38.3973 -8.48699 -31.6124 -38.6131 -38.3972 -38.6131 47.5554 GPRESSAVG: 3722800 -30.7446 -5.81101 -38.6105 -8.56217 -31.9235 -36.1732 -38.9231 -39.9531 47.8385 TIMING: 3722800 CPU: 11200.6, 0.00301963/step Wall: 11200.6, 0.00301963/step, 1.0713 hours remaining, 211.093750 MB of memory in use. ENERGY: 3722800 741.7666 2126.1864 1943.7526 108.2919 -206100.5928 17781.7568 0.0000 0.0000 34005.6769 -149393.1614 296.9800 -183398.8384 -149293.9955 298.3502 -51.2267 -15.4973 557225.8076 -4.9616 -4.9432 PRESSURE: 3723000 17.7833 -60.2828 122.822 -60.2828 -28.1693 47.8846 122.822 47.8853 -38.0997 GPRESSURE: 3723000 45.4922 -77.6364 92.6396 -49.5502 -24.5333 53.9105 155.271 60.6756 13.9529 PRESSAVG: 3723000 11.0342 5.77059 4.94242 5.77062 24.9669 -14.9584 4.94236 -14.9584 36.2459 GPRESSAVG: 3723000 11.4431 5.05692 6.06799 6.09808 25.1529 -15.5986 6.72595 -13.8501 35.5425 TIMING: 3723000 CPU: 11201.2, 0.00302781/step Wall: 11201.2, 0.00302781/step, 1.07403 hours remaining, 211.093750 MB of memory in use. ENERGY: 3723000 740.7055 2090.4418 1953.4188 113.4315 -206586.0308 18123.8683 0.0000 0.0000 34100.3673 -149463.7975 297.8070 -183564.1649 -149369.8891 298.6338 -16.1619 11.6373 557575.6677 24.0823 24.0462 PRESSURE: 3723200 -69.0868 -40.2122 -153.047 -40.2113 137.325 129.046 -153.047 129.046 414.542 GPRESSURE: 3723200 -42.7854 -36.4759 -229.508 -44.1695 219.828 130.531 -98.0357 74.5148 402.337 PRESSAVG: 3723200 10.3793 -11.0096 -36.7589 -11.0095 -6.08354 -0.386475 -36.7589 -0.386262 -14.6912 GPRESSAVG: 3723200 10.1974 -10.4081 -35.0498 -13.2813 -5.41931 -0.0537555 -37.6879 -0.300173 -15.9929 TIMING: 3723200 CPU: 11201.8, 0.00300848/step Wall: 11201.8, 0.00300848/step, 1.06701 hours remaining, 211.203125 MB of memory in use. ENERGY: 3723200 749.0441 2096.4637 1950.4091 108.9598 -206717.3225 18143.4375 0.0000 0.0000 34288.7488 -149380.2595 299.4522 -183669.0083 -149274.1978 298.9894 160.9268 193.1264 557297.7141 -3.4651 -3.7383 PRESSURE: 3723400 -205.014 -4.41389 164.819 -4.41509 -0.593043 28.2103 164.819 28.2101 -279.973 GPRESSURE: 3723400 -103.498 50.6162 173.286 -26.4992 -23.6388 20.8005 102.811 32.3088 -249.457 PRESSAVG: 3723400 -2.77527 23.9909 22.5743 23.991 18.8536 -4.0427 22.5743 -4.04272 -6.75495 GPRESSAVG: 3723400 -2.66622 24.1408 20.5689 24.1584 17.0801 -5.08111 22.3381 -4.77065 -5.3834 TIMING: 3723400 CPU: 11202.4, 0.00296731/step Wall: 11202.4, 0.00296731/step, 1.05224 hours remaining, 211.203125 MB of memory in use. ENERGY: 3723400 733.9263 2068.6544 1936.9204 107.3205 -205744.7438 17497.2480 0.0000 0.0000 34152.0875 -149248.5868 298.2587 -183400.6742 -149156.8754 299.5194 -161.8602 -125.5313 559093.8678 3.1078 3.0102 PRESSURE: 3723600 -62.6004 -17.7539 134.504 -17.754 -17.156 -106.389 134.504 -106.389 53.341 GPRESSURE: 3723600 -17.6646 17.5416 130.018 -32.225 25.2463 8.04627 92.3361 -118.624 75.8096 PRESSAVG: 3723600 31.0882 -13.15 14.5371 -13.1501 -38.8903 -12.4921 14.5371 -12.4921 -13.7404 GPRESSAVG: 3723600 29.9851 -14.5775 14.9011 -9.36274 -37.8263 -9.49624 14.1378 -14.894 -13.7183 TIMING: 3723600 CPU: 11203, 0.00298085/step Wall: 11203, 0.00298085/step, 1.05688 hours remaining, 211.203125 MB of memory in use. ENERGY: 3723600 754.2386 2076.4691 1948.7333 115.5063 -206193.1609 17783.4692 0.0000 0.0000 34279.9717 -149234.7727 299.3755 -183514.7444 -149137.5656 298.1357 -8.8051 27.7971 558786.3884 -7.1808 -7.1865 PRESSURE: 3723800 -10.6886 93.5076 -145.63 93.5083 28.0182 -1.68343 -145.631 -1.68302 -99.7541 GPRESSURE: 3723800 24.1036 40.511 -23.769 100.027 27.586 5.40828 -165.798 -23.3745 -34.8697 PRESSAVG: 3723800 -4.87976 -0.584159 54.3752 -0.584156 33.6842 -62.1631 54.3753 -62.1632 -23.7906 GPRESSAVG: 3723800 -5.06181 -1.38983 54.0229 -3.24053 33.7536 -62.3347 54.8609 -60.8746 -23.2696 TIMING: 3723800 CPU: 11203.6, 0.00295857/step Wall: 11203.6, 0.00295857/step, 1.04881 hours remaining, 211.203125 MB of memory in use. ENERGY: 3723800 728.5737 2123.0653 1947.5197 116.6470 -206260.8514 17820.4946 0.0000 0.0000 34068.0502 -149456.5008 297.5248 -183524.5510 -149364.1215 298.8220 -27.4749 5.6066 557774.7895 1.6713 1.8074 PRESSURE: 3724000 -89.8024 -95.4991 1.21363 -95.4989 -25.838 -164.45 1.21262 -164.452 -312.818 GPRESSURE: 3724000 -70.4634 -67.1821 -56.8099 -55.8836 -34.8554 -184.989 38.9682 -84.1087 -231.96 PRESSAVG: 3724000 20.6245 -30.9045 6.54614 -30.9044 69.3252 -37.3741 6.54618 -37.374 -60.3907 GPRESSAVG: 3724000 21.9916 -32.2031 5.75128 -30.1318 68.7767 -39.941 7.70834 -35.6386 -61.8324 TIMING: 3724000 CPU: 11204.2, 0.00296583/step Wall: 11204.2, 0.00296583/step, 1.05122 hours remaining, 211.203125 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: 3724000 777.3273 2025.6888 1942.0520 101.0083 -206138.0190 17556.3631 0.0000 0.0000 34328.6579 -149406.9216 299.8007 -183735.5795 -149314.0037 298.6511 -142.8196 -112.4263 556699.6416 9.8530 9.6453 PRESSURE: 3724200 -22.7074 -7.40631 198.785 -7.40594 170.403 -71.3997 198.784 -71.3998 195.354 GPRESSURE: 3724200 76.8853 -21.7553 229.988 -60.3931 190.366 -78.7722 104.577 -26.2333 167.641 PRESSAVG: 3724200 15.158 -48.2318 2.30024 -48.2319 -21.8943 -25.1241 2.30024 -25.1242 -5.52269 GPRESSAVG: 3724200 15.6185 -46.9145 3.70857 -47.7833 -22.3929 -24.6032 2.91503 -25.2506 -5.27791 TIMING: 3724200 CPU: 11204.8, 0.00294821/step Wall: 11204.8, 0.00294821/step, 1.04481 hours remaining, 211.203125 MB of memory in use. ENERGY: 3724200 706.8743 2024.2848 1949.6183 112.2123 -206140.8091 17826.9017 0.0000 0.0000 34196.1568 -149324.7608 298.6435 -183520.9176 -149214.8027 298.8610 114.3498 144.9640 557088.5758 -4.0863 -4.0174 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 4802 load 0.029947 is 25.3% of average load 0.118255 LDB: Average compute 0.001716 is 1.5% of average load 0.118255 LDB: TIME 11208.6 LOAD: AVG 0.118255 MAX 0.207554 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.852 MB LDB: TIME 11208.6 LOAD: AVG 0.118255 MAX 0.207554 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.852 MB LDB: TIME 11208.6 LOAD: AVG 0.118255 MAX 0.207554 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.852 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: 3724400 69.69 -7.46439 -13.5718 -7.46502 143.503 -27.2462 -13.5713 -27.2463 225.706 GPRESSURE: 3724400 136.218 42.8697 5.90653 -7.21592 191.356 82.1809 38.9233 -121.07 213.568 PRESSAVG: 3724400 12.6284 -21.847 2.1013 -21.847 -88.9314 -36.4028 2.10128 -36.4029 30.6912 GPRESSAVG: 3724400 12.3179 -21.6727 -0.143943 -21.5012 -88.3688 -34.5927 1.46052 -38.5944 30.4111 TIMING: 3724400 CPU: 11205.4, 0.00300949/step Wall: 11205.4, 0.00300949/step, 1.06636 hours remaining, 209.257812 MB of memory in use. ENERGY: 3724400 768.7945 2053.9360 1937.6243 110.8195 -206402.2180 17976.5583 0.0000 0.0000 34316.3753 -149238.1102 299.6934 -183554.4854 -149140.3654 299.1256 146.2997 180.3804 556637.8228 -15.2039 -15.2133 PRESSURE: 3724600 103.078 19.992 143.563 19.9922 138.808 64.8914 143.564 64.8904 -260.918 GPRESSURE: 3724600 126.457 -9.9342 124.458 -39.9097 172.13 32.1615 111.744 78.0794 -214.406 PRESSAVG: 3724600 12.8386 13.2811 26.6529 13.281 -9.82684 44.5731 26.6529 44.573 29.0419 GPRESSAVG: 3724600 12.5519 11.9944 29.4617 13.739 -10.2779 45.1806 24.8269 42.4302 29.102 TIMING: 3724600 CPU: 11206, 0.00296927/step Wall: 11206, 0.00296927/step, 1.05195 hours remaining, 209.460938 MB of memory in use. ENERGY: 3724600 780.0967 2105.1698 1970.8219 105.5914 -206059.2132 17665.6890 0.0000 0.0000 34109.5501 -149322.2945 297.8872 -183431.8445 -149230.5744 298.8676 -6.3442 28.0602 556177.2901 10.6845 10.4587 PRESSURE: 3724800 -102.518 59.3748 54.4502 59.3748 -195.637 -46.0844 54.448 -46.0829 53.2392 GPRESSURE: 3724800 -55.6684 38.8213 214.731 86.298 -204.49 -4.55843 79.8787 -16.9523 106.162 PRESSAVG: 3724800 3.23311 10.8064 1.4191 10.8062 -6.26132 0.752433 1.41919 0.752485 -8.57811 GPRESSAVG: 3724800 2.44838 11.4101 0.839947 9.50049 -5.82178 -0.968877 2.79131 2.37613 -8.78636 TIMING: 3724800 CPU: 11206.6, 0.00298058/step Wall: 11206.6, 0.00298058/step, 1.05579 hours remaining, 209.460938 MB of memory in use. ENERGY: 3724800 761.9819 2143.3138 1945.1710 115.4626 -206257.0068 17811.0441 0.0000 0.0000 34098.7063 -149381.3270 297.7925 -183480.0333 -149289.0427 299.7020 -81.6385 -51.3319 558138.2870 -3.8688 -4.0533 PRESSURE: 3725000 -223.912 25.5913 -197.686 25.5908 -117.189 135.96 -197.685 135.958 -256.545 GPRESSURE: 3725000 -230.887 -17.9909 -164.148 7.92613 -29.9093 82.9648 -203.256 156.645 -247.941 PRESSAVG: 3725000 -72.6651 21.9081 -18.8448 21.9081 93.0827 10.9418 -18.8448 10.9418 -10.7339 GPRESSAVG: 3725000 -71.7421 22.4182 -20.0612 22.4521 92.9788 12.2546 -19.7768 9.38566 -11.3768 TIMING: 3725000 CPU: 11207.2, 0.00300555/step Wall: 11207.2, 0.00300555/step, 1.06447 hours remaining, 209.460938 MB of memory in use. ENERGY: 3725000 734.6389 2065.0499 1954.2291 111.8944 -205773.0399 17474.8982 0.0000 0.0000 34287.4517 -149144.8777 299.4408 -183432.3294 -149041.7292 300.0604 -199.2155 -169.5792 559529.4165 3.2279 3.2866 PRESSURE: 3725200 102.565 13.4326 -87.8954 13.4313 109.518 -73.8735 -87.8954 -73.8738 118.941 GPRESSURE: 3725200 190.344 60.0596 -71.2344 3.75682 127.776 -22.879 -39.9697 -108.51 121.585 PRESSAVG: 3725200 11.4721 -27.2617 -15.633 -27.2617 3.3235 18.175 -15.633 18.175 5.05097 GPRESSAVG: 3725200 10.9643 -26.3443 -15.5777 -27.6108 3.60539 18.2765 -16.4403 18.8591 5.34601 TIMING: 3725200 CPU: 11207.8, 0.00299154/step Wall: 11207.8, 0.00299154/step, 1.05934 hours remaining, 209.460938 MB of memory in use. ENERGY: 3725200 756.6399 2112.1884 1947.8947 107.2489 -206512.0419 18085.5118 0.0000 0.0000 34183.8113 -149318.7468 298.5357 -183502.5581 -149231.2439 299.8750 110.3413 146.5682 556686.5195 6.6155 6.6386 PRESSURE: 3725400 178.997 111.719 43.5487 111.718 37.5436 24.4142 43.5486 24.4151 -228.061 GPRESSURE: 3725400 174.247 143.978 30.017 102.647 5.41916 15.1043 35.3141 2.32633 -113.092 PRESSAVG: 3725400 -0.713844 -10.7152 6.30873 -10.7152 16.3989 4.78827 6.30876 4.78841 -22.5658 GPRESSAVG: 3725400 -0.700518 -12.3177 6.35561 -11.4661 16.8547 3.52811 6.98147 4.92215 -22.495 TIMING: 3725400 CPU: 11208.4, 0.00299077/step Wall: 11208.4, 0.00299077/step, 1.0589 hours remaining, 209.460938 MB of memory in use. ENERGY: 3725400 750.9949 2120.9063 1924.1628 115.0666 -206381.7243 17813.5767 0.0000 0.0000 34233.4989 -149423.5181 298.9697 -183657.0170 -149321.5210 299.4621 -3.8403 22.1914 557592.7666 -2.2936 -2.1136 PRESSURE: 3725600 112.715 46.6695 5.12096 46.6694 -124.441 -110.472 5.11902 -110.473 255.793 GPRESSURE: 3725600 213.489 45.5087 -23.7815 -20.2867 -95.3225 -48.8415 4.73519 -150.424 233.332 PRESSAVG: 3725600 6.86839 29.2366 -73.333 29.2365 51.0093 -55.6593 -73.333 -55.6592 -30.2498 GPRESSAVG: 3725600 6.84777 29.801 -72.3792 29.2536 51.3707 -53.7734 -74.5545 -56.5976 -29.8861 TIMING: 3725600 CPU: 11209, 0.00298224/step Wall: 11209, 0.00298224/step, 1.05571 hours remaining, 209.664062 MB of memory in use. ENERGY: 3725600 781.8944 2096.4897 1950.3767 108.7193 -206423.8943 17916.2358 0.0000 0.0000 34106.1758 -149464.0026 297.8577 -183570.1784 -149368.9867 298.7223 81.3556 117.1660 557310.8544 9.2093 9.4441 PRESSURE: 3725800 -80.7295 -35.4834 143.001 -35.484 50.7202 118.784 143.001 118.784 -217.437 GPRESSURE: 3725800 -72.1176 -24.6516 193.351 29.7513 88.3063 65.4838 7.44474 75.6232 -170.469 PRESSAVG: 3725800 -8.29317 -7.34982 -41.5795 -7.34979 -12.4028 18.9813 -41.5795 18.9813 -9.10565 GPRESSAVG: 3725800 -7.67317 -6.88389 -42.6433 -6.84062 -12.2519 17.0914 -40.0981 21.4396 -9.90733 TIMING: 3725800 CPU: 11209.6, 0.00299549/step Wall: 11209.6, 0.00299549/step, 1.06024 hours remaining, 209.664062 MB of memory in use. ENERGY: 3725800 757.9085 2075.6096 1936.8010 115.9799 -206346.8212 17827.3505 0.0000 0.0000 34394.0941 -149239.0775 300.3722 -183633.1716 -149136.4736 298.6473 -82.4819 -51.4267 557822.3909 -9.9339 -9.9441 PRESSURE: 3726000 -21.3369 60.4607 -9.22185 60.4601 -103.75 -117.111 -9.2221 -117.11 -147.51 GPRESSURE: 3726000 51.835 37.547 49.4254 4.6682 -70.5506 -66.4911 -39.3697 -126.984 -157.191 PRESSAVG: 3726000 26.8368 7.23942 -19.2391 7.23933 35.746 -24.9375 -19.239 -24.9375 -53.5353 GPRESSAVG: 3726000 27.1846 7.02822 -19.0096 7.19955 33.8882 -25.7349 -18.9544 -24.9194 -51.9115 TIMING: 3726000 CPU: 11210.2, 0.00298364/step Wall: 11210.2, 0.00298364/step, 1.05588 hours remaining, 209.664062 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: 3726000 749.9487 2118.1800 1927.4872 110.1601 -206435.4934 17939.4469 0.0000 0.0000 34121.5507 -149468.7198 297.9920 -183590.2705 -149376.4407 299.3901 -90.8657 -58.6355 557555.1758 3.0158 3.0538 PRESSURE: 3726200 89.6311 -17.4364 -75.943 -17.4368 120.596 59.3954 -75.9419 59.3955 28.7737 GPRESSURE: 3726200 138.881 -43.7036 -183.72 3.24856 106.449 79.7016 -42.7001 3.7182 88.6588 PRESSAVG: 3726200 -17.1401 27.4925 -15.9443 27.4925 -59.8678 -19.0206 -15.9442 -19.0206 36.5291 GPRESSAVG: 3726200 -16.7152 27.7623 -17.6055 25.6257 -59.5277 -18.1055 -16.9278 -20.1263 36.3919 TIMING: 3726200 CPU: 11210.8, 0.00297472/step Wall: 11210.8, 0.00297472/step, 1.05255 hours remaining, 209.664062 MB of memory in use. ENERGY: 3726200 720.2183 2081.5403 1928.1351 117.6593 -206682.2689 18135.9516 0.0000 0.0000 34174.2219 -149524.5425 298.4520 -183698.7644 -149428.5965 298.9568 79.6670 111.3295 557343.7110 -13.4930 -13.2836 PRESSURE: 3726400 -228.599 7.05201 63.08 7.05278 -353.262 -27.8949 63.0798 -27.8947 40.3162 GPRESSURE: 3726400 -233.847 36.6567 82.8896 -71.5109 -298.408 -108.577 -30.2827 65.3246 80.1986 PRESSAVG: 3726400 -25.9031 -16.073 -29.7117 -16.073 3.63453 10.7343 -29.7118 10.7343 30.8838 GPRESSAVG: 3726400 -26.6406 -17.8695 -27.4134 -15.129 4.42975 10.4269 -29.2959 9.56072 30.9401 TIMING: 3726400 CPU: 11211.4, 0.00300744/step Wall: 11211.4, 0.00300744/step, 1.06396 hours remaining, 209.664062 MB of memory in use. ENERGY: 3726400 740.7382 2039.7279 1931.0769 110.9262 -205929.6673 17672.7756 0.0000 0.0000 33990.7569 -149443.6654 296.8497 -183434.4224 -149343.2513 298.4538 -180.5148 -150.6855 558870.5911 2.8717 2.9097 PRESSURE: 3726600 -2.1266 -109.775 49.7175 -109.775 70.0389 -3.69962 49.7169 -3.7003 1.67072 GPRESSURE: 3726600 45.7692 -96.5179 -93.4219 -18.4705 100.933 11.2755 89.4725 16.2839 31.7404 PRESSAVG: 3726600 -18.6135 -56.3536 -39.7747 -56.3536 -1.25751 13.8315 -39.7747 13.8315 35.5777 GPRESSAVG: 3726600 -17.8256 -55.419 -40.8065 -55.1159 -2.01791 14.7953 -37.5648 15.5732 35.3633 TIMING: 3726600 CPU: 11212, 0.00297893/step Wall: 11212, 0.00297893/step, 1.05371 hours remaining, 209.664062 MB of memory in use. ENERGY: 3726600 728.2377 2128.0558 1922.7750 124.4688 -206087.6005 17728.0607 0.0000 0.0000 34377.9369 -149078.0656 300.2311 -183456.0025 -148986.3801 299.5068 23.1944 59.4810 556349.9544 5.2356 5.1733 PRESSURE: 3726800 -113.24 -10.3816 -155.675 -10.3809 -37.227 -116.888 -155.676 -116.887 -36.8966 GPRESSURE: 3726800 -100.081 -6.29477 -145.136 -0.477254 13.8581 -144.181 -112.674 -51.7585 4.17814 PRESSAVG: 3726800 13.565 -12.7675 -25.542 -12.7674 -8.40484 -60.9727 -25.542 -60.9727 -8.33167 GPRESSAVG: 3726800 13.2443 -14.6617 -25.595 -11.6316 -8.28594 -62.7544 -27.6135 -59.7795 -8.41435 TIMING: 3726800 CPU: 11212.6, 0.00298269/step Wall: 11212.6, 0.00298269/step, 1.05488 hours remaining, 209.664062 MB of memory in use. ENERGY: 3726800 770.6062 2113.6342 1927.2794 120.9919 -206315.6118 17854.4579 0.0000 0.0000 34482.3103 -149046.3319 301.1426 -183528.6422 -148949.0889 300.1323 -62.4544 -27.3483 557646.1954 -1.0572 -1.1520 PRESSURE: 3727000 167.877 -67.4507 -113.854 -67.4506 127.405 -66.9828 -113.854 -66.9828 -100.133 GPRESSURE: 3727000 124.526 -150.934 -18.2062 -7.9749 237.012 -82.5731 -180.452 -108.496 -76.5581 PRESSAVG: 3727000 -22.988 -11.535 -38.4134 -11.5349 78.434 -8.02571 -38.4134 -8.02566 -79.7234 GPRESSAVG: 3727000 -22.7302 -8.7327 -38.4678 -14.1699 78.7557 -6.94455 -37.7794 -8.66809 -79.3838 TIMING: 3727000 CPU: 11213.2, 0.00300014/step Wall: 11213.2, 0.00300014/step, 1.06088 hours remaining, 209.664062 MB of memory in use. ENERGY: 3727000 736.0217 2162.9690 1926.0735 111.6732 -205982.9245 17802.4917 0.0000 0.0000 34241.2265 -149002.4690 299.0371 -183243.6955 -148913.6386 299.4622 65.0495 94.9932 557581.6456 -8.0924 -7.7861 PRESSURE: 3727200 161.335 88.5582 -29.8232 88.5581 50.5471 149.492 -29.8222 149.493 161.393 GPRESSURE: 3727200 196.705 86.882 -19.8875 68.7931 46.8405 98.905 -1.82988 182.742 213.707 PRESSAVG: 3727200 -38.4337 11.7756 -65.2764 11.7756 74.152 -31.6478 -65.2763 -31.6479 -35.0956 GPRESSAVG: 3727200 -38.8108 9.50608 -63.5635 15.255 74.6186 -31.5451 -66.4591 -30.8583 -35.1211 TIMING: 3727200 CPU: 11213.8, 0.00300192/step Wall: 11213.8, 0.00300192/step, 1.06135 hours remaining, 209.664062 MB of memory in use. ENERGY: 3727200 706.1590 2133.9576 1927.7659 115.3211 -206225.8193 17866.0619 0.0000 0.0000 34381.4385 -149095.1153 300.2617 -183476.5538 -148994.6417 300.0488 124.4251 152.4173 556306.2853 0.2076 0.2289 PRESSURE: 3727400 42.9565 -177.323 -96.0477 -177.323 -250.81 74.1418 -96.0483 74.1429 -345.456 GPRESSURE: 3727400 91.0214 -79.1223 -140.866 -260.787 -193.715 56.7017 -55.4811 15.2601 -337.491 PRESSAVG: 3727400 19.1626 5.0594 -66.2657 5.05937 -0.772627 -72.0703 -66.2658 -72.0703 -7.6836 GPRESSAVG: 3727400 19.2332 8.31313 -69.5309 1.1303 -0.373981 -72.6709 -65.4284 -73.3059 -7.9108 TIMING: 3727400 CPU: 11214.4, 0.00300726/step Wall: 11214.4, 0.00300726/step, 1.06307 hours remaining, 209.664062 MB of memory in use. ENERGY: 3727400 775.6818 2117.8746 1937.0422 106.2771 -205858.0560 17659.9740 0.0000 0.0000 34174.7675 -149086.4388 298.4567 -183261.2063 -148987.3200 300.0679 -184.4364 -146.7280 556914.9102 3.5688 3.6495 PRESSURE: 3727600 -64.45 125.267 -232.197 125.266 189.151 -50.8651 -232.197 -50.8651 22.49 GPRESSURE: 3727600 -58.7533 72.4795 -143.913 95.4493 238.39 -106.158 -206.6 -97.0068 66.7334 PRESSAVG: 3727600 63.2396 22.5819 16.3748 22.5818 -16.9568 -12.8003 16.3748 -12.8004 -46.5035 GPRESSAVG: 3727600 63.93 20.4525 20.5355 21.9097 -17.285 -12.9962 16.0564 -12.7973 -46.1768 TIMING: 3727600 CPU: 11215, 0.00301794/step Wall: 11215, 0.00301794/step, 1.06667 hours remaining, 209.664062 MB of memory in use. ENERGY: 3727600 777.0303 2129.9742 1940.5416 108.4971 -206398.7312 18040.2252 0.0000 0.0000 34353.3908 -149049.0722 300.0167 -183402.4629 -148954.1765 300.0819 49.0637 82.1235 556284.4549 -0.0736 0.1560 PRESSURE: 3727800 72.4209 3.1925 -24.2428 3.19196 128.095 -35.1051 -24.2433 -35.1042 346.152 GPRESSURE: 3727800 131.891 -53.6381 -13.0349 -8.47057 137.755 -64.0647 -54.0656 28.9244 372.249 PRESSAVG: 3727800 -62.778 44.435 -49.3127 44.435 33.3239 -73.9946 -49.3126 -73.9945 28.4414 GPRESSAVG: 3727800 -62.4601 44.9751 -49.8773 46.0305 33.4205 -71.6323 -50.9293 -75.2185 28.4292 TIMING: 3727800 CPU: 11215.6, 0.00299227/step Wall: 11215.6, 0.00299227/step, 1.05744 hours remaining, 209.664062 MB of memory in use. ENERGY: 3727800 693.7708 2107.3291 1964.0790 106.1258 -206089.8941 17865.7214 0.0000 0.0000 34300.9943 -149051.8738 299.5591 -183352.8680 -148953.4173 299.9139 182.2226 213.9651 556400.0754 -0.3376 -0.2035 PRESSURE: 3728000 -7.82885 -50.895 -74.2937 -50.8961 -43.3691 62.5316 -74.2934 62.5324 -44.6484 GPRESSURE: 3728000 -42.5134 54.0757 -42.8775 1.90477 -16.933 -8.2459 -11.8704 53.2981 60.2164 PRESSAVG: 3728000 -21.378 18.8155 -49.5883 18.8154 -7.20633 15.3723 -49.5883 15.3723 75.1575 GPRESSAVG: 3728000 -21.7762 20.0449 -49.9672 16.7214 -6.69504 12.311 -46.543 16.5653 74.8324 TIMING: 3728000 CPU: 11216.2, 0.00299505/step Wall: 11216.2, 0.00299505/step, 1.05825 hours remaining, 209.664062 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: 3728000 750.0808 2103.4903 1964.9004 113.7518 -206182.1778 17701.3857 0.0000 0.0000 34448.9524 -149099.6164 300.8513 -183548.5688 -149001.4229 300.2276 -31.9488 0.2567 556637.8438 15.5244 15.4537 PRESSURE: 3728200 245.951 49.7563 -125.482 49.7565 70.6126 32.4317 -125.483 32.4311 317.794 GPRESSURE: 3728200 236.783 5.45172 -132.968 -40.0265 114.997 51.229 -101.526 19.2409 371.74 PRESSAVG: 3728200 -18.9067 -46.5502 9.73775 -46.5502 -41.4905 61.6161 9.73775 61.6163 61.6238 GPRESSAVG: 3728200 -20.1764 -47.2218 12.4795 -44.5541 -41.1345 62.0333 7.19821 63.8095 62.1454 TIMING: 3728200 CPU: 11216.8, 0.00298017/step Wall: 11216.8, 0.00298017/step, 1.05283 hours remaining, 209.664062 MB of memory in use. ENERGY: 3728200 748.5354 2050.3239 1942.1625 108.0416 -206533.8150 18133.0580 0.0000 0.0000 34386.2609 -149165.4327 300.3038 -183551.6936 -149070.8742 300.0254 211.4522 241.1735 556038.0031 0.4088 0.2782 LDB: ============= START OF LOAD BALANCING ============== 11220.3 LDB: ============== END OF LOAD BALANCING =============== 11220.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11220.3 LDB: ============= START OF LOAD BALANCING ============== 11220.6 LDB: Largest compute 4802 load 0.030433 is 25.7% of average load 0.118303 LDB: Average compute 0.001713 is 1.4% of average load 0.118303 LDB: TIME 11220.6 LOAD: AVG 0.118303 MAX 0.212691 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.43 MB LDB: TIME 11220.6 LOAD: AVG 0.118303 MAX 0.212691 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.461 MB LDB: TIME 11220.6 LOAD: AVG 0.118303 MAX 0.212691 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.461 MB LDB: ============== END OF LOAD BALANCING =============== 11220.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11220.6 PRESSURE: 3728400 -68.3805 -195.787 11.2758 -195.788 77.7473 -253.228 11.2755 -253.229 -17.5168 GPRESSURE: 3728400 -102.242 -191.361 -7.38025 -191.28 159.811 -317.55 105.215 -252.963 22.5383 PRESSAVG: 3728400 -13.3505 -66.401 -12.0186 -66.401 -48.2279 -13.5531 -12.0186 -13.5531 56.163 GPRESSAVG: 3728400 -12.9437 -66.7773 -12.167 -66.9589 -47.532 -10.1371 -10.8967 -16.1509 54.5551 TIMING: 3728400 CPU: 11217.4, 0.00304442/step Wall: 11217.4, 0.00304442/step, 1.07536 hours remaining, 209.769531 MB of memory in use. ENERGY: 3728400 750.4055 2093.9887 1931.0585 119.0071 -206452.8006 17869.3650 0.0000 0.0000 34366.8972 -149322.0786 300.1347 -183688.9758 -149228.0264 299.3695 -2.7167 26.7025 557665.9416 -1.8051 -1.9735 PRESSURE: 3728600 -172.813 50.267 -87.0567 50.267 232.714 26.4503 -87.0567 26.447 206.513 GPRESSURE: 3728600 -131.24 24.9009 -69.0154 77.0683 285.673 92.7256 -106.154 14.4558 192.946 PRESSAVG: 3728600 -26.6457 -20.5586 9.35546 -20.5586 -23.6743 -2.67394 9.35547 -2.67401 27.8807 GPRESSAVG: 3728600 -26.1437 -19.3834 7.51321 -20.8081 -23.7557 -2.48566 7.94304 -3.15403 27.3343 TIMING: 3728600 CPU: 11218, 0.00299419/step Wall: 11218, 0.00299419/step, 1.05745 hours remaining, 209.839844 MB of memory in use. ENERGY: 3728600 771.8909 2077.7029 1895.5504 105.9396 -206829.1969 18192.2167 0.0000 0.0000 34407.3544 -149378.5419 300.4880 -183785.8963 -149282.7892 299.4400 88.8047 115.7930 556488.2368 -7.4798 -7.5217 PRESSURE: 3728800 15.2546 2.04876 -44.2796 2.05014 -176.824 -110.843 -44.2801 -110.843 -81.7542 GPRESSURE: 3728800 38.1591 0.228236 -83.2829 -23.5656 -173.052 -102.057 -46.1565 -120.294 -21.4574 PRESSAVG: 3728800 58.5354 61.1455 -6.96998 61.1456 9.55246 -41.3405 -6.96998 -41.3404 -45.0835 GPRESSAVG: 3728800 58.7936 60.8324 -7.23907 63.538 8.14639 -43.3771 -6.44012 -39.4518 -43.8957 TIMING: 3728800 CPU: 11218.6, 0.00302743/step Wall: 11218.6, 0.00302743/step, 1.06902 hours remaining, 209.839844 MB of memory in use. ENERGY: 3728800 751.0276 2091.8923 1922.1399 108.9642 -206085.2839 17800.2240 0.0000 0.0000 34154.7011 -149256.3347 298.2815 -183411.0358 -149161.1451 299.1692 -81.1078 -52.1167 557317.1476 7.6681 7.6814 PRESSURE: 3729000 -157.771 24.2767 37.0832 24.2774 -174.476 35.9459 37.0839 35.9453 63.6673 GPRESSURE: 3729000 -107.789 79.8722 158.453 -1.05047 -126.031 154.454 -97.675 16.7862 54.612 PRESSAVG: 3729000 -25.557 -30.0861 -18.6752 -30.0861 31.2577 1.12942 -18.6754 1.1294 11.9681 GPRESSAVG: 3729000 -25.4967 -30.9046 -17.9462 -29.5848 31.5174 4.05576 -17.3324 -1.74285 11.1149 TIMING: 3729000 CPU: 11219.2, 0.00299043/step Wall: 11219.2, 0.00299043/step, 1.05579 hours remaining, 209.839844 MB of memory in use. ENERGY: 3729000 785.5517 2111.1326 1950.2262 113.8772 -206459.5264 17890.2937 0.0000 0.0000 34340.5022 -149267.9428 299.9041 -183608.4450 -149166.2463 299.8317 -89.5264 -59.7362 557846.8533 5.8896 5.7119 PRESSURE: 3729200 -363.81 -30.483 105.616 -30.4828 -214.576 -85.0564 105.614 -85.0572 129.705 GPRESSURE: 3729200 -282.021 -31.5408 200.442 -57.2678 -163.222 -67.9039 140.82 -113.425 95.272 PRESSAVG: 3729200 -53.1078 -45.5985 10.1429 -45.5984 -88.3449 -38.3956 10.1429 -38.3957 113.622 GPRESSAVG: 3729200 -52.7533 -46.4566 9.83423 -46.987 -89.4141 -40.3978 8.32594 -36.9417 114.028 TIMING: 3729200 CPU: 11219.8, 0.00300212/step Wall: 11219.8, 0.00300212/step, 1.05975 hours remaining, 209.839844 MB of memory in use. ENERGY: 3729200 772.1357 2134.1362 1949.0521 112.2556 -206222.9531 17745.7224 0.0000 0.0000 34191.5058 -149318.1454 298.6029 -183509.6512 -149224.0320 299.4409 -149.5605 -116.6569 557921.7286 -9.2770 -9.3798 PRESSURE: 3729400 24.6722 -180.222 -88.9733 -180.221 130.39 -131.314 -88.9748 -131.312 28.6899 GPRESSURE: 3729400 70.6857 -109.206 -138.558 -175.205 175.201 -152.323 -52.3603 -129.507 27.4285 PRESSAVG: 3729400 -41.4823 -50.6407 62.8635 -50.6407 -90.8813 -47.0154 62.8635 -47.0153 95.3373 GPRESSAVG: 3729400 -42.1948 -50.7784 61.6476 -49.7099 -89.3583 -48.2667 64.5963 -46.0311 94.6944 TIMING: 3729400 CPU: 11220.4, 0.00297276/step Wall: 11220.4, 0.00297276/step, 1.04922 hours remaining, 209.839844 MB of memory in use. ENERGY: 3729400 745.7745 2109.8823 1958.0338 103.4894 -206481.4374 17891.6376 0.0000 0.0000 34351.6221 -149320.9977 300.0013 -183672.6198 -149215.1658 299.3557 61.2507 91.1050 556371.7884 -12.3421 -12.2862 PRESSURE: 3729600 -98.197 -118.871 133.401 -118.87 8.62704 -75.3008 133.4 -75.3007 76.8548 GPRESSURE: 3729600 -53.9015 -85.8164 78.108 -144.616 3.5563 2.87539 149.845 -133.561 140.146 PRESSAVG: 3729600 2.10176 -38.7015 51.1088 -38.7015 -41.3104 -7.82613 51.1088 -7.82599 48.4115 GPRESSAVG: 3729600 3.11396 -38.5458 50.7194 -40.8609 -42.3184 -6.46582 51.6848 -8.43315 48.4346 TIMING: 3729600 CPU: 11221, 0.00298554/step Wall: 11221, 0.00298554/step, 1.05356 hours remaining, 210.187500 MB of memory in use. ENERGY: 3729600 732.7094 2108.8454 1925.5603 103.5480 -206361.1239 17784.7648 0.0000 0.0000 34232.3855 -149473.3105 298.9599 -183705.6960 -149376.2717 298.8162 -4.2384 29.9336 557623.3052 3.0676 3.0767 PRESSURE: 3729800 350.459 -236.982 66.7151 -236.982 111.076 -139.981 66.7159 -139.981 -48.4064 GPRESSURE: 3729800 323.786 -263.551 115.302 -157.398 156.969 -115.864 43.7315 -248.2 22.2069 PRESSAVG: 3729800 70.1114 -53.4692 10.4739 -53.4692 -89.766 -46.7942 10.474 -46.7942 38.2405 GPRESSAVG: 3729800 69.2561 -54.6672 12.0414 -50.9119 -90.7574 -48.1816 11.2316 -45.4994 39.9003 TIMING: 3729800 CPU: 11221.6, 0.00296951/step Wall: 11221.6, 0.00296951/step, 1.04774 hours remaining, 210.187500 MB of memory in use. ENERGY: 3729800 723.6250 2137.9820 1900.5469 115.6777 -206538.9838 17989.4169 0.0000 0.0000 34236.6371 -149435.0981 298.9971 -183671.7353 -149341.5529 298.9119 137.7096 167.6539 556984.3652 6.1953 6.1330 PRESSURE: 3730000 -111.232 157.664 -26.4625 157.663 231.253 -20.9823 -26.4624 -20.9835 -53.1499 GPRESSURE: 3730000 -6.75042 136.556 -13.6156 205.922 218.862 -68.1164 -2.13744 -48.3464 -35.3644 PRESSAVG: 3730000 52.7847 52.2296 30.5031 52.2296 29.5695 -36.0134 30.503 -36.0135 -44.4391 GPRESSAVG: 3730000 52.5028 52.9152 30.5215 52.4182 31.2009 -35.6352 29.2283 -38.0389 -45.902 TIMING: 3730000 CPU: 11222.2, 0.00297759/step Wall: 11222.2, 0.00297759/step, 1.05043 hours remaining, 210.187500 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: 3730000 720.0769 2087.0774 1968.5232 108.2521 -206576.1812 18009.4502 0.0000 0.0000 34127.0380 -149555.7634 298.0399 -183682.8014 -149457.0448 298.3756 22.2902 58.9158 556710.1020 12.6383 12.6006 PRESSURE: 3730200 122.951 11.8389 30.2355 11.8388 -0.942339 -76.043 30.2355 -76.0429 -239.729 GPRESSURE: 3730200 177.36 17.9285 -25.7408 3.35783 -21.6159 -44.0038 89.4008 -122.352 -172.311 PRESSAVG: 3730200 19.04 23.6334 -39.3127 23.6334 4.39504 0.53526 -39.3127 0.535377 -30.1033 GPRESSAVG: 3730200 21.0369 23.938 -41.096 23.2204 3.13854 0.240184 -39.2776 2.83829 -30.7388 TIMING: 3730200 CPU: 11222.8, 0.00300879/step Wall: 11222.8, 0.00300879/step, 1.06127 hours remaining, 210.187500 MB of memory in use. ENERGY: 3730200 718.5237 2054.4967 1931.3123 116.8665 -206220.5931 17637.1722 0.0000 0.0000 34139.9576 -149622.2641 298.1527 -183762.2216 -149517.8371 298.6423 -39.2400 -5.5223 557874.7843 -2.2228 -2.1878 PRESSURE: 3730400 209.022 -65.5379 -71.277 -65.5372 218.63 20.5683 -71.277 20.5702 24.9858 GPRESSURE: 3730400 271.816 -204.359 -2.34755 -71.7188 193.884 19.8734 -73.846 25.7098 82.9704 PRESSAVG: 3730400 97.3011 -15.3281 -29.4097 -15.3281 -40.9835 -20.6341 -29.4096 -20.634 -35.4918 GPRESSAVG: 3730400 95.3845 -16.0537 -27.4883 -15.8576 -39.1896 -18.7912 -31.4518 -24.0318 -35.1848 TIMING: 3730400 CPU: 11223.4, 0.0029769/step Wall: 11223.4, 0.0029769/step, 1.04985 hours remaining, 210.187500 MB of memory in use. ENERGY: 3730400 742.7178 2025.6160 1947.3967 105.8139 -206964.8233 18201.2541 0.0000 0.0000 34174.4826 -149767.5423 298.4543 -183942.0248 -149663.4422 297.9221 150.8793 182.8902 556421.7899 6.9419 7.0033 PRESSURE: 3730600 132.576 137.67 1.77601 137.67 -263.727 6.17537 1.77615 6.17628 -53.7397 GPRESSURE: 3730600 139.489 91.522 -75.3792 178.62 -184.608 70.426 91.0787 -6.75563 -46.7429 PRESSAVG: 3730600 70.5917 -37.693 5.6469 -37.693 -7.43607 7.46462 5.64689 7.46456 -52.8779 GPRESSAVG: 3730600 70.7686 -38.0784 3.95635 -37.9165 -6.14592 5.40493 6.26826 8.935 -53.7875 TIMING: 3730600 CPU: 11224, 0.0029756/step Wall: 11224, 0.0029756/step, 1.04923 hours remaining, 210.187500 MB of memory in use. ENERGY: 3730600 734.7028 2052.4364 1935.3400 112.2948 -206403.5856 17714.2266 0.0000 0.0000 34271.3396 -149583.2456 299.3001 -183854.5851 -149482.9678 298.5419 -61.6305 -30.6206 556296.8329 3.4259 3.6117 PRESSURE: 3730800 -72.1707 1.80887 103.105 1.80748 -43.759 -70.8961 103.105 -70.896 -157.296 GPRESSURE: 3730800 10.1659 -45.5013 42.2392 114.497 -40.5652 -28.8122 81.3382 18.6996 -158.8 PRESSAVG: 3730800 60.7962 1.55831 15.5739 1.55824 -36.2777 -21.0021 15.5739 -21.0021 -62.4006 GPRESSAVG: 3730800 62.2185 1.60854 16.7463 2.93897 -37.7504 -20.2056 16.493 -20.8096 -62.6147 TIMING: 3730800 CPU: 11224.6, 0.00295669/step Wall: 11224.6, 0.00295669/step, 1.0424 hours remaining, 210.187500 MB of memory in use. ENERGY: 3730800 739.3313 2090.6071 1942.9765 122.0415 -206204.7139 17736.4957 0.0000 0.0000 34019.9227 -149553.3390 297.1044 -183573.2617 -149461.1868 297.7060 -91.0754 -63.0664 558015.0019 -12.6274 -12.7155 PRESSURE: 3731000 -25.3152 -127.999 131.923 -127.999 -193.149 -22.398 131.925 -22.3991 -54.4561 GPRESSURE: 3731000 -30.7953 -44.6485 155.326 -175.971 -118.239 -0.514045 105.877 -19.1257 -31.1364 PRESSAVG: 3731000 54.0886 1.70112 45.736 1.70113 -7.43062 6.48673 45.736 6.48676 -32.3549 GPRESSAVG: 3731000 54.0606 3.39409 46.6929 -0.250724 -7.98874 8.28854 45.685 5.49919 -32.3476 TIMING: 3731000 CPU: 11225.1, 0.00297599/step Wall: 11225.1, 0.00297599/step, 1.04904 hours remaining, 210.187500 MB of memory in use. ENERGY: 3731000 777.7139 2079.7762 1948.3226 117.7714 -206495.1318 17699.9420 0.0000 0.0000 34204.2238 -149667.3818 298.7140 -183871.6056 -149573.5603 297.8499 -90.9734 -60.0567 556867.2181 4.7677 4.5747 PRESSURE: 3731200 168.213 -142.18 -19.7313 -142.18 145.687 33.6704 -19.7314 33.6706 303.501 GPRESSURE: 3731200 211.941 -135.712 49.9681 -149.835 178.513 -25.8358 -63.7327 54.4867 320.446 PRESSAVG: 3731200 53.1314 -27.7546 22.998 -27.7545 -7.21217 30.5072 22.9979 30.5071 -40.7022 GPRESSAVG: 3731200 52.077 -28.6317 22.4499 -26.3892 -7.17586 29.8803 24.2527 31.4475 -39.5869 TIMING: 3731200 CPU: 11225.7, 0.00298363/step Wall: 11225.7, 0.00298363/step, 1.05156 hours remaining, 210.187500 MB of memory in use. ENERGY: 3731200 794.2268 2075.3566 1941.3198 105.4562 -206878.8975 18110.6171 0.0000 0.0000 34267.3679 -149584.5530 299.2654 -183851.9210 -149490.1811 298.1023 205.8002 236.9666 555979.1130 1.7390 1.7714 PRESSURE: 3731400 104.179 -68.1374 -26.3636 -68.1374 63.4715 -161.732 -26.3636 -161.731 -220.458 GPRESSURE: 3731400 107.332 36.8407 19.3602 -95.3157 112.003 -211.314 8.84702 -163.099 -173.832 PRESSAVG: 3731400 3.85637 0.648038 43.6266 0.647959 56.3814 -18.226 43.6267 -18.226 -54.7568 GPRESSAVG: 3731400 3.7672 0.160012 45.2492 0.590956 56.8241 -19.1895 40.1959 -17.9925 -54.6451 TIMING: 3731400 CPU: 11226.3, 0.0030002/step Wall: 11226.3, 0.0030002/step, 1.05724 hours remaining, 210.187500 MB of memory in use. ENERGY: 3731400 772.1128 2073.8475 1950.8788 110.0443 -206600.3191 17855.0850 0.0000 0.0000 34303.0964 -149535.2544 299.5775 -183838.3508 -149443.5219 298.9806 -17.6023 15.1676 556225.7424 1.8270 1.9821 PRESSURE: 3731600 -88.6017 -239.088 -28.9728 -239.087 -20.3543 -34.728 -28.9722 -34.7266 -92.2684 GPRESSURE: 3731600 -15.6161 -207.639 83.1752 -229.97 1.72302 -37.2744 -65.6817 -49.1235 -82.4276 PRESSAVG: 3731600 63.4237 8.41729 35.105 8.41737 28.4168 9.19017 35.1049 9.19035 -81.9245 GPRESSAVG: 3731600 64.0209 10.654 33.5098 5.33571 27.9917 6.27344 37.5065 9.90345 -82.3038 TIMING: 3731600 CPU: 11226.9, 0.0029649/step Wall: 11226.9, 0.0029649/step, 1.04463 hours remaining, 210.187500 MB of memory in use. ENERGY: 3731600 740.7420 2104.3968 1953.7488 116.2086 -206056.2921 17688.1907 0.0000 0.0000 34212.0360 -149240.9691 298.7822 -183453.0052 -149140.8068 299.6581 -67.0748 -32.1069 558256.6778 3.3053 3.2363 PRESSURE: 3731800 -13.1305 149.249 -23.2818 149.25 -62.7229 37.177 -23.2817 37.1782 -83.699 GPRESSURE: 3731800 -55.2898 109.068 57.2633 177.534 -5.22919 -35.3765 -57.1819 81.9325 -10.9822 PRESSAVG: 3731800 -6.49911 19.9173 2.68149 19.9173 40.9326 9.35189 2.6815 9.35179 -96.3552 GPRESSAVG: 3731800 -8.19737 17.4617 2.9318 23.3464 41.9446 13.9017 2.6124 7.67181 -95.2413 TIMING: 3731800 CPU: 11227.5, 0.00297958/step Wall: 11227.5, 0.00297958/step, 1.04964 hours remaining, 210.187500 MB of memory in use. ENERGY: 3731800 703.8362 2131.4035 1948.3369 117.1809 -206247.8666 17831.9867 0.0000 0.0000 34305.2141 -149209.9083 299.5960 -183515.1224 -149117.4433 299.8950 -53.1841 -23.8337 558222.2635 -20.6406 -20.4980 PRESSURE: 3732000 -242.798 -143.536 -87.0148 -143.536 -0.457494 -65.6391 -87.0154 -65.6388 -249.71 GPRESSURE: 3732000 -214.853 -86.6716 -113.075 -172.099 33.0626 -131.88 -44.1595 3.91594 -204.149 PRESSAVG: 3732000 -39.1809 -23.0745 20.1564 -23.0744 41.9309 -36.2793 20.1563 -36.2793 -0.884708 GPRESSAVG: 3732000 -38.433 -21.4184 18.9135 -25.2683 41.358 -37.8706 20.2859 -34.7047 -1.09238 TIMING: 3732000 CPU: 11228.1, 0.00302308/step Wall: 11228.1, 0.00302308/step, 1.0648 hours remaining, 210.187500 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: 3732000 769.6345 2095.1636 1956.0108 109.3079 -206137.8811 17466.1692 0.0000 0.0000 34363.3686 -149378.2265 300.1038 -183741.5952 -149281.4459 299.0212 -164.3219 -128.6466 557252.4731 0.6218 0.6108 PRESSURE: 3732200 201.75 -79.6227 20.1703 -79.6226 -45.3767 -28.0493 20.1702 -28.0483 416.806 GPRESSURE: 3732200 265.573 -86.4571 -19.2088 -35.6115 36.5748 29.5335 -74.2416 -90.0823 367.676 PRESSAVG: 3732200 -21.4143 -23.2741 -1.68274 -23.2741 2.92199 17.0814 -1.68277 17.0815 24.5456 GPRESSAVG: 3732200 -20.8999 -23.079 0.756939 -22.2297 3.53454 17.172 -3.50274 16.9444 23.1164 TIMING: 3732200 CPU: 11228.7, 0.00300712/step Wall: 11228.7, 0.00300712/step, 1.05901 hours remaining, 210.187500 MB of memory in use. ENERGY: 3732200 742.2144 2096.4136 1951.4691 105.3846 -206884.6942 18255.8997 0.0000 0.0000 34186.5299 -149546.7830 298.5595 -183733.3128 -149453.8901 298.2267 191.0600 223.2749 556841.6635 2.0178 1.9170 LDB: ============= START OF LOAD BALANCING ============== 11232.3 LDB: ============== END OF LOAD BALANCING =============== 11232.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11232.3 LDB: ============= START OF LOAD BALANCING ============== 11232.6 LDB: Largest compute 4802 load 0.029192 is 24.7% of average load 0.118225 LDB: Average compute 0.001715 is 1.5% of average load 0.118225 LDB: TIME 11232.6 LOAD: AVG 0.118225 MAX 0.211348 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.746 MB LDB: TIME 11232.6 LOAD: AVG 0.118225 MAX 0.211348 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.816 MB LDB: TIME 11232.6 LOAD: AVG 0.118225 MAX 0.211348 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.816 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11232.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11232.6 PRESSURE: 3732400 77.4884 -37.3747 -143.643 -37.3752 78.5139 -16.4666 -143.643 -16.4671 288.366 GPRESSURE: 3732400 139.283 -72.3333 -94.4508 -40.6621 72.6157 43.7444 -132.641 -4.27043 331.05 PRESSAVG: 3732400 -6.27257 -5.1404 -15.6953 -5.14043 -4.14012 -8.33893 -15.6954 -8.33891 31.6389 GPRESSAVG: 3732400 -6.30766 -6.60005 -17.3956 -4.54682 -5.12513 -6.43299 -14.0004 -9.89377 33.0274 TIMING: 3732400 CPU: 11229.3, 0.00306019/step Wall: 11229.3, 0.00306019/step, 1.07753 hours remaining, 210.738281 MB of memory in use. ENERGY: 3732400 732.1348 2090.4607 1953.4568 109.9351 -206741.6650 18055.6370 0.0000 0.0000 34223.4212 -149576.6194 298.8816 -183800.0406 -149479.6346 298.5982 148.1228 180.9827 556421.8220 7.0754 7.1982 PRESSURE: 3732600 -278.787 -164.982 4.64783 -164.982 -208.522 -30.3712 4.64747 -30.3723 -34.775 GPRESSURE: 3732600 -254.112 -155.582 -70.0006 -140.689 -212.394 8.55503 -28.5677 -16.5235 38.0735 PRESSAVG: 3732600 -20.9031 -10.9023 -0.281912 -10.9023 9.33559 13.018 -0.281961 13.018 16.0924 GPRESSAVG: 3732600 -20.4323 -12.2286 1.73985 -8.62564 8.63138 11.2474 -1.07091 13.4836 16.2781 TIMING: 3732600 CPU: 11229.9, 0.00297301/step Wall: 11229.9, 0.00297301/step, 1.04667 hours remaining, 210.941406 MB of memory in use. ENERGY: 3732600 754.4109 2085.1474 1908.3425 120.8035 -206207.5402 17587.3789 0.0000 0.0000 34142.8997 -149608.5573 298.1784 -183751.4571 -149510.3776 298.0081 -174.0279 -142.8107 557553.1017 1.5083 1.4924 PRESSURE: 3732800 237.729 160.646 -125.856 160.646 -266.004 -52.7025 -125.854 -52.7023 154.493 GPRESSURE: 3732800 271.647 99.5372 -86.293 219.481 -224.87 -48.5959 -81.5011 -19.619 172.145 PRESSAVG: 3732800 44.0616 9.3802 -2.88469 9.38011 -39.3208 26.3711 -2.88472 26.3711 16.3459 GPRESSAVG: 3732800 43.421 10.8259 -4.06593 7.31979 -38.5702 25.4506 -3.34954 26.0219 16.4008 TIMING: 3732800 CPU: 11230.5, 0.00299799/step Wall: 11230.5, 0.00299799/step, 1.05529 hours remaining, 210.941406 MB of memory in use. ENERGY: 3732800 731.0942 2074.1241 1929.8503 115.4734 -206623.1054 17825.6344 0.0000 0.0000 34211.0821 -149735.8469 298.7739 -183946.9290 -149639.6454 298.3260 42.0726 72.9739 555828.7373 7.0289 7.0839 PRESSURE: 3733000 -101.578 -164.762 53.8554 -164.761 -19.5802 124.858 53.8546 124.859 197.284 GPRESSURE: 3733000 -33.006 -121.207 -26.3158 -143.215 0.383293 198.389 105.461 16.643 198.519 PRESSAVG: 3733000 15.6767 -9.45115 -3.85519 -9.4511 -6.49908 18.5115 -3.85524 18.5115 -8.51664 GPRESSAVG: 3733000 15.2269 -9.09845 -4.46322 -9.16298 -5.79675 19.5438 -2.59183 17.5583 -9.04873 TIMING: 3733000 CPU: 11231.1, 0.00298808/step Wall: 11231.1, 0.00298808/step, 1.05164 hours remaining, 210.941406 MB of memory in use. ENERGY: 3733000 744.2214 2054.4073 1935.3008 110.5830 -206472.4536 17840.8018 0.0000 0.0000 34276.8168 -149510.3224 299.3480 -183787.1392 -149411.7981 298.4971 25.3753 55.2987 555550.0126 0.2203 0.1271 PRESSURE: 3733200 43.4282 30.6053 -1.82284 30.604 -269.608 153.439 -1.82273 153.438 -425.109 GPRESSURE: 3733200 38.7335 35.8587 92.0176 -35.2897 -223.658 7.90049 4.89972 179.254 -372.15 PRESSAVG: 3733200 14.3252 -46.9751 -33.0663 -46.9751 -19.7203 -24.3457 -33.0663 -24.3456 -3.87842 GPRESSAVG: 3733200 13.5772 -47.4766 -33.8275 -49.3088 -19.1827 -26.1572 -32.6737 -21.9468 -3.3889 TIMING: 3733200 CPU: 11231.7, 0.00299671/step Wall: 11231.7, 0.00299671/step, 1.05451 hours remaining, 210.941406 MB of memory in use. ENERGY: 3733200 745.6426 2019.9313 1942.8497 112.8771 -205996.5456 17534.2180 0.0000 0.0000 34252.1677 -149388.8593 299.1327 -183641.0270 -149287.5037 299.1816 -217.0965 -185.6914 557731.4696 -3.0911 -2.9981 PRESSURE: 3733400 93.8358 263.449 45.0345 263.449 58.7424 65.478 45.0342 65.4783 -327.867 GPRESSURE: 3733400 67.8863 280.418 31.4116 258.903 50.0182 82.1239 32.0915 82.4706 -192.371 PRESSAVG: 3733400 14.4288 7.99838 -32.8346 7.99832 4.21532 20.0949 -32.8345 20.0949 -12.9643 GPRESSAVG: 3733400 13.9688 8.57161 -31.3138 7.96966 3.52203 21.8091 -34.6158 18.2626 -11.9686 TIMING: 3733400 CPU: 11232.3, 0.00303514/step Wall: 11232.3, 0.00303514/step, 1.06786 hours remaining, 211.144531 MB of memory in use. ENERGY: 3733400 746.1701 2084.4790 1957.4278 110.0804 -206280.2873 17873.6240 0.0000 0.0000 34205.2940 -149303.2120 298.7233 -183508.5059 -149205.7983 298.7485 -58.4296 -24.8220 558145.0750 1.8933 1.8408 PRESSURE: 3733600 36.9646 74.3563 81.0072 74.3564 -105.392 -68.019 81.0069 -68.0174 24.1589 GPRESSURE: 3733600 97.0926 -50.2263 69.5666 197.944 -111.976 -123.339 130.643 -73.4744 63.4282 PRESSAVG: 3733600 -44.3283 5.58773 -30.9846 5.58781 22.4721 -8.77929 -30.9845 -8.77926 -0.552639 GPRESSAVG: 3733600 -41.5302 6.43106 -32.9093 6.46219 20.4732 -9.07212 -28.6377 -9.15046 -0.893807 TIMING: 3733600 CPU: 11232.9, 0.0030015/step Wall: 11232.9, 0.0030015/step, 1.05586 hours remaining, 211.144531 MB of memory in use. ENERGY: 3733600 773.8691 2080.0337 1912.8377 101.8684 -206095.7030 17782.3178 0.0000 0.0000 34160.8470 -149283.9293 298.3352 -183444.7763 -149193.0219 298.6568 -14.7563 16.1815 556624.2931 -7.4696 -7.3170 PRESSURE: 3733800 -193.953 -169.682 -101.024 -169.681 -35.651 93.66 -101.023 93.6583 68.7012 GPRESSURE: 3733800 -122.566 -138.365 -2.76198 -93.4876 -54.9724 40.61 -131.35 105.782 101.344 PRESSAVG: 3733800 1.5065 75.5405 34.1452 75.5405 -30.2459 -5.27318 34.1452 -5.27303 76.3405 GPRESSAVG: 3733800 -1.14022 74.4938 36.8158 75.3562 -27.8801 -5.7427 32.1991 -4.75077 76.5384 TIMING: 3733800 CPU: 11233.5, 0.0029911/step Wall: 11233.5, 0.0029911/step, 1.05204 hours remaining, 211.144531 MB of memory in use. ENERGY: 3733800 760.3467 2082.5292 1949.9135 115.3675 -206351.5980 17889.5641 0.0000 0.0000 34285.7047 -149268.1724 299.4256 -183553.8770 -149165.3908 299.0770 -53.6342 -25.3982 558701.4882 15.8670 15.8393 PRESSURE: 3734000 78.7527 44.7032 75.9833 44.7029 -141.061 -172.742 75.9844 -172.741 70.598 GPRESSURE: 3734000 135.155 71.7243 128.484 47.8661 -109.176 -219.207 7.94263 -109.943 94.958 PRESSAVG: 3734000 -56.4949 5.5193 39.0771 5.51926 -2.14241 -32.1599 39.0771 -32.16 39.1135 GPRESSAVG: 3734000 -54.8168 6.07777 36.5738 5.79432 -2.89679 -32.9245 39.2057 -32.4691 38.3537 TIMING: 3734000 CPU: 11234.1, 0.00298282/step Wall: 11234.1, 0.00298282/step, 1.04896 hours remaining, 211.144531 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: 3734000 729.7320 2104.8719 1944.8763 100.9512 -205835.2998 17681.1203 0.0000 0.0000 34180.0085 -149093.7397 298.5025 -183273.7482 -149003.9424 299.7536 2.7631 40.3122 559167.6040 -6.5079 -6.4533 PRESSURE: 3734200 75.3628 1.127 -273.743 1.12667 -50.3367 118.684 -273.743 118.685 89.9928 GPRESSURE: 3734200 107.838 64.0173 -358.116 6.66722 37.8768 144.192 -271.066 147.933 70.5085 PRESSAVG: 3734200 -74.1365 9.94821 -31.9909 9.94823 59.1729 -10.696 -31.9908 -10.696 19.8641 GPRESSAVG: 3734200 -75.7416 9.18853 -34.2989 9.89762 59.9926 -8.37007 -31.324 -7.94848 20.5409 TIMING: 3734200 CPU: 11234.7, 0.00297845/step Wall: 11234.7, 0.00297845/step, 1.04726 hours remaining, 211.144531 MB of memory in use. ENERGY: 3734200 741.1664 2095.9706 1924.1616 105.0128 -206010.7279 17913.9580 0.0000 0.0000 34184.3421 -149046.1163 298.5404 -183230.4584 -148950.3190 299.1171 38.3396 72.0745 557962.5288 1.6335 1.5973 PRESSURE: 3734400 -11.2762 -83.6303 40.4274 -83.6313 -351.774 -279.283 40.4272 -279.282 -227.59 GPRESSURE: 3734400 11.6491 -150.631 9.38277 -74.5981 -323.133 -212.462 58.1061 -295.197 -162.771 PRESSAVG: 3734400 78.4026 -13.4263 -23.0052 -13.4262 -27.201 -20.3272 -23.0052 -20.327 -26.1127 GPRESSAVG: 3734400 79.3128 -13.1516 -19.4141 -15.772 -28.3346 -20.8471 -24.5767 -21.3654 -25.4647 TIMING: 3734400 CPU: 11235.3, 0.00298146/step Wall: 11235.3, 0.00298146/step, 1.04815 hours remaining, 211.144531 MB of memory in use. ENERGY: 3734400 738.4564 2043.1213 1928.0383 98.0545 -205677.0869 17474.3260 0.0000 0.0000 34407.3572 -148987.7333 300.4880 -183395.0905 -148892.8417 300.2749 -196.8800 -158.0849 559266.3986 8.3629 8.5045 PRESSURE: 3734600 -95.2083 103.132 -54.1486 103.132 -129.665 -0.531634 -54.1482 -0.530861 -144.406 GPRESSURE: 3734600 -42.7921 105.419 -97.4721 102.705 -96.2114 87.5294 -40.2445 17.1481 -145.582 PRESSAVG: 3734600 43.6427 -18.3056 -45.6547 -18.3056 -87.7955 -24.83 -45.6548 -24.83 36.0943 GPRESSAVG: 3734600 44.1856 -18.5632 -45.0439 -15.5778 -87.373 -23.6226 -45.6934 -26.0714 34.4267 TIMING: 3734600 CPU: 11235.9, 0.0029743/step Wall: 11235.9, 0.0029743/step, 1.04547 hours remaining, 211.144531 MB of memory in use. ENERGY: 3734600 752.9949 2053.8397 1911.2864 115.4503 -205670.0773 17555.4539 0.0000 0.0000 34406.1517 -148874.9004 300.4775 -183281.0521 -148782.7362 299.3695 -123.0930 -94.8618 558954.3431 -2.6862 -2.9203 PRESSURE: 3734800 3.04968 203.195 -54.165 203.196 -193.947 119.809 -54.1653 119.808 -100.198 GPRESSURE: 3734800 41.9544 146.189 -11.9774 219.733 -150.378 62.0878 -25.6018 138.542 -84.0484 PRESSAVG: 3734800 70.284 39.7912 45.0181 39.7912 -58.3306 28.7192 45.0181 28.7193 -1.3474 GPRESSAVG: 3734800 70.0901 40.9801 44.0645 38.476 -58.6998 26.8407 45.583 30.5489 -0.927216 TIMING: 3734800 CPU: 11236.5, 0.00296624/step Wall: 11236.5, 0.00296624/step, 1.04247 hours remaining, 211.210938 MB of memory in use. ENERGY: 3734800 726.5389 2044.9875 1921.0476 115.4469 -205843.2782 17671.2017 0.0000 0.0000 34509.3965 -148854.6592 301.3791 -183364.0556 -148758.4795 299.6491 -97.0318 -64.1575 559034.3963 3.5353 3.4877 PRESSURE: 3735000 -162.773 17.0741 -137.231 17.0757 -127.072 -4.88684 -137.231 -4.88747 -143.635 GPRESSURE: 3735000 -105.469 36.5378 -169.476 -6.12706 -121.814 -51.3859 -108.359 -21.534 -115.439 PRESSAVG: 3735000 28.0748 48.8383 -22.3734 48.8382 -37.4808 -16.4457 -22.3733 -16.4457 10.8017 GPRESSAVG: 3735000 27.1455 47.8063 -23.4162 48.4305 -36.5022 -15.7796 -23.6289 -16.9981 10.2041 TIMING: 3735000 CPU: 11237.1, 0.00295794/step Wall: 11237.1, 0.00295794/step, 1.03939 hours remaining, 211.210938 MB of memory in use. ENERGY: 3735000 791.2231 2102.1591 1944.7152 105.0837 -206095.8923 17763.7862 0.0000 0.0000 34325.7934 -149063.1316 299.7757 -183388.9250 -148967.3765 299.5263 -144.4933 -114.2407 558157.7163 0.4652 0.2825 PRESSURE: 3735200 -178.747 23.324 16.7044 23.3237 -237.295 166.891 16.7049 166.892 -128.072 GPRESSURE: 3735200 -131.508 34.3462 -14.3564 35.5506 -180.904 125.792 35.7442 145.807 -140.308 PRESSAVG: 3735200 -15.9047 8.71298 -28.3763 8.71304 11.4391 20.5767 -28.3763 20.5767 26.3889 GPRESSAVG: 3735200 -16.9214 9.68012 -28.5813 7.93567 11.8986 18.6853 -26.5419 20.9964 26.3347 TIMING: 3735200 CPU: 11237.7, 0.00298592/step Wall: 11237.7, 0.00298592/step, 1.04905 hours remaining, 211.210938 MB of memory in use. ENERGY: 3735200 746.3642 2069.2660 1939.3449 119.9259 -205655.4259 17521.5305 0.0000 0.0000 34362.1937 -148896.8008 300.0936 -183258.9945 -148799.5849 299.4013 -181.3715 -150.9068 559831.6908 7.3078 7.1039 PRESSURE: 3735400 -62.0927 -91.0411 -79.4899 -91.0392 -52.1763 40.6009 -79.4902 40.6007 87.2907 GPRESSURE: 3735400 -53.4989 -13.0868 -89.24 -48.7096 -1.22039 44.3255 -21.8766 -32.5971 117.19 PRESSAVG: 3735400 -22.4718 36.9954 -52.7609 36.9954 73.2387 -10.7403 -52.761 -10.7404 -57.1505 GPRESSAVG: 3735400 -21.5325 35.2107 -53.7993 37.9133 72.463 -7.669 -50.1547 -12.8861 -57.0372 TIMING: 3735400 CPU: 11238.3, 0.00299459/step Wall: 11238.3, 0.00299459/step, 1.05193 hours remaining, 211.210938 MB of memory in use. ENERGY: 3735400 756.0835 2080.0595 1923.5467 117.2635 -205893.0825 17835.9180 0.0000 0.0000 34230.7525 -148949.4587 298.9457 -183180.2112 -148858.4135 299.3088 -8.9928 20.8237 558128.4624 -2.1279 -2.0356 PRESSURE: 3735600 -159.197 40.8269 103.538 40.8284 -346.312 47.8715 103.539 47.8717 -289.508 GPRESSURE: 3735600 -162.713 84.0948 22.1541 25.0207 -266.683 61.1803 101.624 -11.0391 -273.23 PRESSAVG: 3735600 39.5039 25.863 -9.28693 25.8629 54.397 23.2419 -9.28691 23.2419 -123.209 GPRESSAVG: 3735600 40.5208 28.7069 -9.9632 25.4729 53.5218 20.7497 -11.4453 24.9403 -123.279 TIMING: 3735600 CPU: 11238.9, 0.00297585/step Wall: 11238.9, 0.00297585/step, 1.04519 hours remaining, 211.210938 MB of memory in use. ENERGY: 3735600 754.1616 2067.2017 1955.1512 107.0572 -205534.7799 17431.5813 0.0000 0.0000 34107.7160 -149111.9110 297.8712 -183219.6269 -149014.4405 299.7902 -265.0056 -234.2087 559596.3429 -9.7695 -9.7455 PRESSURE: 3735800 192.67 -183.45 -50.522 -183.451 -183.161 -103.735 -50.5214 -103.735 -40.9524 GPRESSURE: 3735800 213.942 -118.244 -29.5027 -107.392 -139.327 -34.2074 -131.804 -131.179 -1.35926 PRESSAVG: 3735800 37.7457 -19.3132 29.6486 -19.3133 3.6757 -2.85761 29.6487 -2.85761 -37.5819 GPRESSAVG: 3735800 38.5017 -20.326 32.5043 -19.1397 3.21115 -1.45224 27.3038 -3.10469 -38.2579 TIMING: 3735800 CPU: 11239.5, 0.00299359/step Wall: 11239.5, 0.00299359/step, 1.05125 hours remaining, 211.210938 MB of memory in use. ENERGY: 3735800 739.4535 2126.7728 1933.6297 116.5396 -206305.5470 17966.6729 0.0000 0.0000 34391.4399 -149031.0387 300.3490 -183422.4786 -148935.7179 298.7739 -10.4809 24.4185 557929.8250 1.2798 1.1517 PRESSURE: 3736000 297.661 138.435 40.2086 138.436 -283.946 -44.9211 40.2085 -44.9195 147.161 GPRESSURE: 3736000 278.519 159.414 -28.1601 154.336 -209.601 -45.2497 21.3162 17.6729 187.699 PRESSAVG: 3736000 71.0618 69.1784 -6.97515 69.1784 -37.1138 -70.8109 -6.97512 -70.8109 -45.9144 GPRESSAVG: 3736000 69.7294 68.3867 -7.87681 69.2108 -35.6981 -70.8899 -5.96567 -69.5548 -45.6887 TIMING: 3736000 CPU: 11240.1, 0.00298536/step Wall: 11240.1, 0.00298536/step, 1.04819 hours remaining, 211.210938 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: 3736000 734.4125 2052.3521 1921.8626 123.3045 -206172.1606 17781.4360 0.0000 0.0000 34388.7784 -149170.0145 300.3258 -183558.7929 -149073.2490 299.0960 53.6252 85.5390 556905.0514 -3.9888 -3.8858 PRESSURE: 3736200 -65.6105 18.2847 50.0912 18.2858 296.205 -84.2297 50.091 -84.2305 -20.1951 GPRESSURE: 3736200 -67.868 -70.7188 61.416 -14.9818 324.568 -64.887 81.5389 -56.767 28.0052 PRESSAVG: 3736200 -2.83446 43.6149 1.81618 43.6149 20.95 18.3602 1.8162 18.3602 -34.8581 GPRESSAVG: 3736200 -3.72664 42.1736 1.60186 43.6957 21.1877 18.6317 3.51449 15.4632 -34.8821 TIMING: 3736200 CPU: 11240.7, 0.002997/step Wall: 11240.7, 0.002997/step, 1.05211 hours remaining, 211.210938 MB of memory in use. ENERGY: 3736200 756.7442 2061.6244 1955.5241 103.6326 -206145.5320 17865.0584 0.0000 0.0000 34298.4020 -149104.5463 299.5365 -183402.9483 -149011.3749 299.0986 70.1331 94.9019 557015.6554 -5.5809 -5.8070 LDB: ============= START OF LOAD BALANCING ============== 11244.2 LDB: ============== END OF LOAD BALANCING =============== 11244.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11244.2 LDB: ============= START OF LOAD BALANCING ============== 11244.5 LDB: Largest compute 4802 load 0.027924 is 23.6% of average load 0.118307 LDB: Average compute 0.001711 is 1.4% of average load 0.118307 LDB: TIME 11244.5 LOAD: AVG 0.118307 MAX 0.208787 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.227 MB LDB: TIME 11244.5 LOAD: AVG 0.118307 MAX 0.208787 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.227 MB LDB: TIME 11244.5 LOAD: AVG 0.118307 MAX 0.208787 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.227 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11244.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11244.5 PRESSURE: 3736400 -356.192 95.0918 -45.5572 95.0919 -64.6091 46.2005 -45.5573 46.1994 -162.563 GPRESSURE: 3736400 -294.517 66.358 -73.774 128.768 -50.694 0.796319 -56.9171 20.6463 -141.964 PRESSAVG: 3736400 -4.72317 -7.57869 11.6964 -7.5787 -8.00169 -46.7124 11.6965 -46.7124 2.67615 GPRESSAVG: 3736400 -4.4792 -5.62533 11.837 -9.49842 -9.71655 -46.7257 12.0631 -43.8523 4.07749 TIMING: 3736400 CPU: 11241.3, 0.00303328/step Wall: 11241.3, 0.00303328/step, 1.06468 hours remaining, 210.800781 MB of memory in use. ENERGY: 3736400 747.1819 2057.1170 1940.7772 101.8939 -205541.5503 17384.6377 0.0000 0.0000 34229.6221 -149080.3205 298.9358 -183309.9426 -148977.6913 299.6973 -194.4548 -162.3918 559435.1603 -3.3496 -3.3728 PRESSURE: 3736600 -136.463 -145.518 -76.1578 -145.518 -133.123 -28.084 -76.1588 -28.0856 -209.706 GPRESSURE: 3736600 -92.6169 -122.56 -146.302 -125.176 -145.531 -23.1336 25.975 -4.25703 -139.91 PRESSAVG: 3736600 -31.4432 -13.2889 7.47424 -13.289 -4.16781 40.4734 7.47416 40.4733 27.809 GPRESSAVG: 3736600 -30.1828 -13.3733 5.9284 -10.6072 -3.82766 41.0778 6.29734 40.2918 26.7866 TIMING: 3736600 CPU: 11241.9, 0.00297055/step Wall: 11241.9, 0.00297055/step, 1.0425 hours remaining, 210.800781 MB of memory in use. ENERGY: 3736600 725.4250 2087.4000 1915.0492 106.4478 -205913.4116 17548.7884 0.0000 0.0000 34378.7492 -149151.5520 300.2382 -183530.3012 -149052.7727 299.2410 -159.7639 -126.0196 556848.1788 -2.6007 -2.4079 PRESSURE: 3736800 39.1173 -21.4307 -57.9127 -21.4304 250.872 -105.79 -57.9118 -105.79 30.712 GPRESSURE: 3736800 105.151 -62.5501 -67.1059 22.1789 260.396 -132.963 -47.6732 -73.8722 54.7752 PRESSAVG: 3736800 -28.5181 -20.2557 16.445 -20.2557 4.73404 -43.0485 16.4451 -43.0485 37.6137 GPRESSAVG: 3736800 -28.4245 -20.2548 19.1353 -21.7648 4.1383 -44.5933 15.9633 -42.8604 38.1516 TIMING: 3736800 CPU: 11242.5, 0.0029929/step Wall: 11242.5, 0.0029929/step, 1.05018 hours remaining, 210.800781 MB of memory in use. ENERGY: 3736800 702.6710 2105.5907 1949.0252 113.9082 -206107.2488 17767.8027 0.0000 0.0000 34348.2140 -149120.0370 299.9715 -183468.2510 -149016.3531 299.4161 106.9006 140.1075 556755.4361 4.6099 4.6218 PRESSURE: 3737000 -15.9439 43.4367 -121.919 43.4374 -223.207 -46.7315 -121.918 -46.733 166.203 GPRESSURE: 3737000 39.1366 65.4341 -55.694 46.025 -171.821 -155.898 -10.3938 21.5379 163.353 PRESSAVG: 3737000 8.22245 -47.16 -26.8482 -47.16 -10.9104 -1.29092 -26.8483 -1.29081 46.9827 GPRESSAVG: 3737000 8.96311 -45.991 -27.743 -45.5799 -9.25348 -1.18932 -26.5174 -0.4477 45.1732 TIMING: 3737000 CPU: 11243.1, 0.0029729/step Wall: 11243.1, 0.0029729/step, 1.04299 hours remaining, 210.800781 MB of memory in use. ENERGY: 3737000 702.9617 2068.2324 1960.0320 119.9764 -205795.8526 17547.6020 0.0000 0.0000 34400.9469 -148996.1011 300.4320 -183397.0481 -148901.7397 300.4679 -24.3160 10.2229 557988.2583 14.7649 14.9609 PRESSURE: 3737200 -204.211 -224.845 -63.5261 -224.845 -423.051 -264.328 -63.5264 -264.328 -135.404 GPRESSURE: 3737200 -135.497 -160.712 -20.0109 -247.557 -382.009 -123.514 -81.2707 -320.684 -150.304 PRESSAVG: 3737200 -38.3925 -0.688081 -28.0533 -0.687995 3.16166 -34.4214 -28.0534 -34.4215 3.94632 GPRESSAVG: 3737200 -38.9956 -1.36543 -27.5392 -2.45567 3.45322 -32.4762 -27.3763 -35.6242 4.74389 TIMING: 3737200 CPU: 11243.7, 0.00296327/step Wall: 11243.7, 0.00296327/step, 1.03945 hours remaining, 210.800781 MB of memory in use. ENERGY: 3737200 740.1038 2118.0044 1950.1822 114.5963 -205761.1196 17351.8612 0.0000 0.0000 34514.3685 -148972.0032 301.4226 -183486.3717 -148878.4410 300.3832 -254.2220 -222.6033 556396.5830 -10.4282 -10.2662 PRESSURE: 3737400 -105.844 49.7734 117.015 49.774 -43.5004 -175.807 117.015 -175.808 22.769 GPRESSURE: 3737400 -31.1094 37.0344 46.9968 -9.75645 -19.7635 -172.312 173.716 -166.658 26.6458 PRESSAVG: 3737400 21.2562 16.0978 -5.14007 16.0978 -19.4778 -43.7851 -5.14004 -43.7851 -4.64484 GPRESSAVG: 3737400 20.2243 17.3854 -7.01428 16.87 -20.0734 -45.4581 -5.3776 -41.9429 -2.51165 TIMING: 3737400 CPU: 11244.3, 0.00297833/step Wall: 11244.3, 0.00297833/step, 1.04457 hours remaining, 210.800781 MB of memory in use. ENERGY: 3737400 784.4746 2098.4596 1946.2070 112.6979 -205637.0181 17679.8949 0.0000 0.0000 34158.0777 -148857.2065 298.3110 -183015.2842 -148758.2633 299.8781 -42.1920 -8.0757 557461.5117 -0.9555 -0.7869 PRESSURE: 3737600 -33.6104 155.841 109.231 155.843 21.558 -91.8704 109.232 -91.8687 -256.641 GPRESSURE: 3737600 -16.805 180.276 44.6572 207.048 14.2065 -70.8137 83.4891 -139.919 -173.705 PRESSAVG: 3737600 51.4098 54.1287 10.8906 54.1287 -5.88511 13.0016 10.8905 13.0015 -18.3411 GPRESSAVG: 3737600 53.2472 52.3629 9.85714 55.0482 -5.95652 14.427 13.0451 13.0905 -20.3955 TIMING: 3737600 CPU: 11244.9, 0.00296287/step Wall: 11244.9, 0.00296287/step, 1.03898 hours remaining, 210.800781 MB of memory in use. ENERGY: 3737600 764.8075 2082.8936 1924.6824 126.3719 -205428.0327 17593.8184 0.0000 0.0000 34252.4950 -148682.9639 299.1356 -182935.4589 -148584.7260 300.6061 -89.5644 -58.7679 558176.7427 9.0612 8.9651 PRESSURE: 3737800 -94.1316 34.7562 -44.5388 34.7558 -6.45008 188.647 -44.538 188.65 -139.674 GPRESSURE: 3737800 -117.362 -3.81803 -13.1628 44.4649 68.6841 153.933 31.946 211.157 -95.5956 PRESSAVG: 3737800 32.5141 54.2361 -19.326 54.2361 -40.8104 44.6338 -19.326 44.6339 -14.0998 GPRESSAVG: 3737800 32.6466 54.0079 -15.593 54.971 -40.504 45.428 -22.2232 43.673 -14.1093 TIMING: 3737800 CPU: 11245.5, 0.00296959/step Wall: 11245.5, 0.00296959/step, 1.04117 hours remaining, 210.800781 MB of memory in use. ENERGY: 3737800 744.2214 2077.2704 1918.3871 111.9979 -205991.9445 17724.2261 0.0000 0.0000 34661.5737 -148754.2680 302.7081 -183415.8417 -148651.0750 300.7025 -80.0851 -48.0912 559467.3409 -7.4654 -7.3222 PRESSURE: 3738000 -118.017 6.0456 3.76778 6.04613 -250.932 41.3671 3.76718 41.3682 -176.504 GPRESSURE: 3738000 -118.463 -36.4866 -43.8951 124.249 -195.587 36.9966 -18.4818 65.243 -130.343 PRESSAVG: 3738000 17.76 15.9263 32.2265 15.9263 -10.9847 46.2871 32.2266 46.287 2.73162 GPRESSAVG: 3738000 17.4041 17.9122 30.1955 12.9648 -11.8172 46.7464 34.085 45.5676 3.81438 TIMING: 3738000 CPU: 11246.1, 0.00300932/step Wall: 11246.1, 0.00300932/step, 1.05493 hours remaining, 210.800781 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: 3738000 735.9021 2070.2113 1940.7140 112.7588 -205608.4935 17602.7940 0.0000 0.0000 34425.7845 -148720.3288 300.6489 -183146.1133 -148617.5413 301.4391 -181.8177 -148.1310 559154.7477 3.1690 3.1338 PRESSURE: 3738200 42.5499 -0.406916 -26.833 -0.407394 -78.4984 145.538 -26.8334 145.537 -46.1366 GPRESSURE: 3738200 60.9877 27.748 -43.6276 -2.38564 -44.2928 127.687 30.15 137.525 -10.5472 PRESSAVG: 3738200 7.30955 2.46015 42.9498 2.46007 24.3261 -1.60838 42.9497 -1.60843 0.870984 GPRESSAVG: 3738200 6.69069 2.37555 41.3341 5.87836 24.1582 -4.0485 43.6008 -0.306548 1.28021 TIMING: 3738200 CPU: 11246.7, 0.00296729/step Wall: 11246.7, 0.00296729/step, 1.04003 hours remaining, 210.800781 MB of memory in use. ENERGY: 3738200 736.3871 2076.7966 1920.6516 95.4494 -205630.3868 17692.7111 0.0000 0.0000 34186.4868 -148921.9042 298.5591 -183108.3909 -148830.4022 299.8099 -27.3617 2.0492 558410.5420 10.8355 10.7097 PRESSURE: 3738400 -157.683 94.0472 14.5038 94.0465 130.557 114.293 14.5035 114.293 263.279 GPRESSURE: 3738400 -126.145 24.8366 47.2953 130.386 175.788 88.0113 -49.304 70.5517 280.278 PRESSAVG: 3738400 39.132 13.1003 -56.361 13.1003 -48.4331 -51.6274 -56.361 -51.6274 21.1677 GPRESSAVG: 3738400 40.0295 12.8283 -53.981 10.3596 -48.8684 -50.6622 -57.1121 -52.5045 20.8359 TIMING: 3738400 CPU: 11247.3, 0.00299929/step Wall: 11247.3, 0.00299929/step, 1.05108 hours remaining, 210.800781 MB of memory in use. ENERGY: 3738400 767.2064 2084.5894 1953.2889 109.0915 -206362.3612 17906.0800 0.0000 0.0000 34394.0428 -149148.0623 300.3717 -183542.1051 -149055.4978 299.6980 78.7177 109.9736 558278.6844 3.9555 3.9990 PRESSURE: 3738600 103.84 -59.721 207.603 -59.7197 55.9779 -180.126 207.604 -180.124 -33.5279 GPRESSURE: 3738600 152.101 -142.582 182.677 -25.0913 39.8724 -181.745 175.099 -235.591 44.3095 PRESSAVG: 3738600 46.4871 0.0691439 -3.45184 0.0691162 -19.6737 -24.1225 -3.45175 -24.1226 -13.0142 GPRESSAVG: 3738600 45.4295 0.161769 -4.60399 -1.08793 -19.2226 -25.316 -4.23718 -24.8238 -12.4336 TIMING: 3738600 CPU: 11247.9, 0.00297989/step Wall: 11247.9, 0.00297989/step, 1.04412 hours remaining, 210.800781 MB of memory in use. ENERGY: 3738600 767.0800 2097.2799 1929.5489 112.7341 -206129.4958 17842.8817 0.0000 0.0000 34194.3954 -149185.5759 298.6282 -183379.9713 -149089.8392 299.5317 42.0967 78.7611 558047.4982 4.5997 4.5911 PRESSURE: 3738800 -92.4784 -18.6324 76.3817 -18.6351 -91.9743 53.6076 76.3827 53.6076 -65.0578 GPRESSURE: 3738800 -48.9276 -6.80797 48.9208 -19.573 -2.89201 20.665 27.945 42.2982 -99.5018 PRESSAVG: 3738800 27.2654 18.8082 11.0771 18.8082 4.01368 -14.8931 11.0771 -14.8931 -23.247 GPRESSAVG: 3738800 27.98 17.3277 10.1684 20.823 4.78268 -14.5165 12.6567 -14.8881 -24.9297 TIMING: 3738800 CPU: 11248.5, 0.0029774/step Wall: 11248.5, 0.0029774/step, 1.04308 hours remaining, 210.800781 MB of memory in use. ENERGY: 3738800 767.8438 2127.3459 1909.9241 123.5822 -206173.0189 17890.4180 0.0000 0.0000 34227.7455 -149126.1594 298.9194 -183353.9048 -149028.3437 299.0425 -83.1702 -50.4405 559444.4223 2.6774 2.6110 PRESSURE: 3739000 -90.3487 -50.6957 12.8019 -50.697 44.9281 -216.143 12.8017 -216.143 -104.128 GPRESSURE: 3739000 -75.4471 -41.6893 -27.7372 -18.6788 65.3473 -164.099 -22.6325 -187.987 -39.932 PRESSAVG: 3739000 23.0498 -9.90536 -5.29698 -9.90531 -55.2871 -38.2815 -5.29681 -38.2817 33.3347 GPRESSAVG: 3739000 23.3582 -9.97883 -4.8952 -7.97422 -55.6958 -35.8807 -5.96195 -39.5413 33.4986 TIMING: 3739000 CPU: 11249.1, 0.00297724/step Wall: 11249.1, 0.00297724/step, 1.04286 hours remaining, 210.800781 MB of memory in use. ENERGY: 3739000 739.1344 2085.0717 1926.8109 115.6338 -205947.6669 17694.2456 0.0000 0.0000 34287.4154 -149099.3551 299.4405 -183386.7705 -149004.2940 299.2179 -49.8494 -16.6773 559518.8812 0.3658 0.3870 PRESSURE: 3739200 -199.451 38.0643 -160.786 38.0654 -150.006 21.9743 -160.785 21.9749 -112.82 GPRESSURE: 3739200 -209.181 112.985 -204.822 22.3771 -88.2636 39.857 -177.678 -63.6689 -71.4332 PRESSAVG: 3739200 -3.70096 -48.7947 -2.9535 -48.7946 -59.1172 16.0927 -2.95355 16.0927 63.697 GPRESSAVG: 3739200 -4.36373 -49.7766 -1.62571 -48.0276 -58.6213 12.9075 -3.94713 17.163 63.6312 TIMING: 3739200 CPU: 11249.6, 0.00297432/step Wall: 11249.6, 0.00297432/step, 1.04167 hours remaining, 210.800781 MB of memory in use. ENERGY: 3739200 737.4420 2071.9501 1939.9585 119.8302 -205905.4172 17553.8689 0.0000 0.0000 34341.1440 -149141.2237 299.9098 -183482.3676 -149038.1654 299.7103 -154.0922 -122.9593 556982.7107 0.2929 0.2154 PRESSURE: 3739400 86.1953 -98.7059 -199.436 -98.7058 -230.526 -6.23558 -199.436 -6.23533 -249.666 GPRESSURE: 3739400 91.4851 -156.044 -170.448 -84.463 -186.291 -13.9389 -195.287 7.1811 -199.63 PRESSAVG: 3739400 19.0096 40.9273 18.5376 40.9273 4.54235 13.3088 18.5375 13.3088 -17.9202 GPRESSAVG: 3739400 19.2021 43.0856 16.7437 37.8431 3.2345 16.2257 18.4124 14.062 -16.8615 TIMING: 3739400 CPU: 11250.2, 0.00296642/step Wall: 11250.2, 0.00296642/step, 1.03874 hours remaining, 210.800781 MB of memory in use. ENERGY: 3739400 800.7207 2065.6082 1916.8179 124.9223 -205970.9603 17657.5681 0.0000 0.0000 34300.6358 -149104.6872 299.5560 -183405.3231 -149020.4374 300.0224 -131.3322 -98.1452 557926.4976 1.8773 1.8584 PRESSURE: 3739600 114.518 51.7337 8.04092 51.7326 72.3934 -135.114 8.0412 -135.112 -117.934 GPRESSURE: 3739600 107.169 -2.1561 19.9354 117.595 127.892 -104.056 -41.265 -147.097 -68.0966 PRESSAVG: 3739600 125.364 3.20735 -58.6021 3.20725 -98.2798 -17.9723 -58.602 -17.9723 -74.2954 GPRESSAVG: 3739600 124.757 2.68531 -57.6937 4.91221 -97.5512 -19.1895 -58.2623 -19.052 -74.5121 TIMING: 3739600 CPU: 11250.8, 0.00298801/step Wall: 11250.8, 0.00298801/step, 1.04614 hours remaining, 210.800781 MB of memory in use. ENERGY: 3739600 763.4529 2083.1396 1943.4564 101.9662 -206209.5868 18007.3570 0.0000 0.0000 34352.7973 -148957.4173 300.0115 -183310.2147 -148856.2726 300.4413 22.9923 55.6547 556248.4876 -15.7371 -15.7688 PRESSURE: 3739800 -311.363 -134.338 -15.4391 -134.337 68.5257 199.554 -15.4389 199.554 -111.984 GPRESSURE: 3739800 -243.521 -134.733 -19.6344 -95.3236 25.5659 182.493 5.86044 264.564 -39.4984 PRESSAVG: 3739800 -10.5201 15.9118 8.9401 15.9118 43.4508 19.2858 8.9402 19.2858 -42.2097 GPRESSAVG: 3739800 -10.8888 16.5806 6.80904 13.8373 43.2045 18.1181 10.8576 20.6988 -41.1637 TIMING: 3739800 CPU: 11251.4, 0.00299317/step Wall: 11251.4, 0.00299317/step, 1.04778 hours remaining, 210.800781 MB of memory in use. ENERGY: 3739800 728.2168 2076.5978 1937.1358 100.1777 -205808.5687 17572.5977 0.0000 0.0000 34262.3858 -149131.4570 299.2219 -183393.8428 -149035.8664 300.2237 -118.2737 -85.8178 557781.7025 -3.0930 -2.9493 PRESSURE: 3740000 -54.382 -26.2402 41.9917 -26.2387 -214.215 -107.894 41.9933 -107.894 231.865 GPRESSURE: 3740000 33.5177 -82.7739 53.3439 -8.57954 -221.843 17.7437 5.50639 -181.368 251.759 PRESSAVG: 3740000 11.9955 18.5118 -54.6309 18.5118 33.9819 8.32182 -54.6309 8.3217 -2.63239 GPRESSAVG: 3740000 12.3135 17.3247 -54.9447 19.4717 34.5461 10.0608 -54.8095 7.17571 -3.23412 TIMING: 3740000 CPU: 11252, 0.00300419/step Wall: 11252, 0.00300419/step, 1.05147 hours remaining, 210.800781 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: 3740000 709.7163 2063.0831 1936.0238 103.1251 -205483.5502 17621.9167 0.0000 0.0000 34126.7426 -148922.9425 298.0373 -183049.6851 -148828.1448 299.3456 -12.2441 21.1445 557926.1945 14.4483 14.5418 PRESSURE: 3740200 -17.2511 29.3909 35.2089 29.3919 -76.6291 -75.8858 35.2099 -75.8862 28.959 GPRESSURE: 3740200 0.445767 23.2781 -22.173 112.6 -44.641 62.5242 32.7951 -141.961 73.3968 PRESSAVG: 3740200 46.8344 -8.19691 2.04898 -8.19697 -4.23104 7.37189 2.049 7.37191 -35.418 GPRESSAVG: 3740200 46.7005 -8.86122 2.73712 -8.48282 -4.41015 6.64509 0.731278 8.92508 -35.3585 TIMING: 3740200 CPU: 11252.6, 0.00299856/step Wall: 11252.6, 0.00299856/step, 1.04933 hours remaining, 210.800781 MB of memory in use. ENERGY: 3740200 741.9163 2084.0392 1967.9269 112.3690 -205869.8726 17528.0012 0.0000 0.0000 34495.9785 -148939.6415 301.2620 -183435.6200 -148838.6246 299.6029 -21.6404 9.7339 555888.9118 2.3951 2.3106 LDB: ============= START OF LOAD BALANCING ============== 11256.2 LDB: ============== END OF LOAD BALANCING =============== 11256.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11256.2 LDB: ============= START OF LOAD BALANCING ============== 11256.5 LDB: Largest compute 4802 load 0.028505 is 24.1% of average load 0.118318 LDB: Average compute 0.001717 is 1.5% of average load 0.118318 LDB: TIME 11256.5 LOAD: AVG 0.118318 MAX 0.210925 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.43 MB LDB: TIME 11256.5 LOAD: AVG 0.118318 MAX 0.210925 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: TIME 11256.5 LOAD: AVG 0.118318 MAX 0.210925 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11256.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11256.5 PRESSURE: 3740400 -129.59 159.836 47.6924 159.836 80.8125 -3.43619 47.6923 -3.43676 -35.4264 GPRESSURE: 3740400 -104.167 168.185 90.0883 148.287 56.7389 3.30939 32.7744 -1.34979 60.7698 PRESSAVG: 3740400 5.98147 5.00772 37.317 5.00775 16.2809 37.3342 37.3171 37.3343 -34.0919 GPRESSAVG: 3740400 7.17981 5.02677 37.3847 5.44613 15.7264 36.262 39.3072 36.62 -35.1235 TIMING: 3740400 CPU: 11253.2, 0.00306423/step Wall: 11253.2, 0.00306423/step, 1.07214 hours remaining, 209.765625 MB of memory in use. ENERGY: 3740400 733.8939 2036.0597 1950.6883 103.1162 -205615.6082 17579.2872 0.0000 0.0000 34259.0106 -148953.5522 299.1925 -183212.5628 -148856.1255 300.1536 -28.0678 4.4471 557819.0115 -3.9432 -4.0724 PRESSURE: 3740600 -57.1837 78.2039 144.289 78.2048 21.2316 96.6459 144.289 96.6478 98.0588 GPRESSURE: 3740600 21.9691 -31.4456 123.802 115.29 28.4897 36.8388 112.246 113.399 104.424 PRESSAVG: 3740600 -27.2767 45.586 44.8656 45.5859 12.3107 7.15663 44.8656 7.1567 -12.3456 GPRESSAVG: 3740600 -27.186 47.2768 46.2161 44.5587 12.7643 7.39298 42.5516 8.87879 -12.041 TIMING: 3740600 CPU: 11253.8, 0.00299267/step Wall: 11253.8, 0.00299267/step, 1.04694 hours remaining, 209.968750 MB of memory in use. ENERGY: 3740600 703.5088 2038.5180 1937.1245 104.2564 -206189.3480 17886.8898 0.0000 0.0000 34448.0605 -149070.9899 300.8435 -183519.0504 -148971.1104 299.0728 20.7022 51.6277 557945.1653 -9.1039 -8.8209 PRESSURE: 3740800 -225.401 178.527 84.7298 178.526 -8.73068 -232.665 84.731 -232.665 25.1793 GPRESSURE: 3740800 -170.259 213.116 46.4969 254.037 51.69 -273.765 118.504 -232.137 9.80027 PRESSAVG: 3740800 -57.3691 -8.81193 42.8135 -8.81198 56.735 -21.0636 42.8134 -21.0636 18.0386 GPRESSAVG: 3740800 -56.7615 -11.4952 42.7267 -5.78652 56.1848 -19.8463 42.6696 -24.8762 18.3673 TIMING: 3740800 CPU: 11254.4, 0.00298883/step Wall: 11254.4, 0.00298883/step, 1.04543 hours remaining, 209.968750 MB of memory in use. ENERGY: 3740800 713.7827 2070.8040 1923.5819 109.7882 -205670.8127 17552.9637 0.0000 0.0000 34264.2909 -149035.6013 299.2386 -183299.8922 -148946.0721 299.4927 -69.6509 -36.2563 557756.5867 5.8015 5.9302 PRESSURE: 3741000 -223.654 -135.438 -75.2776 -135.437 117.864 217.594 -75.2767 217.595 -140.379 GPRESSURE: 3741000 -131.565 -109.804 -27.1008 -193.682 93.5733 175.615 -184.67 212.123 -114.339 PRESSAVG: 3741000 3.99002 -10.442 45.4455 -10.4419 32.8932 -20.7715 45.4455 -20.7713 -34.0584 GPRESSAVG: 3741000 3.07139 -9.4651 44.3316 -11.1601 32.6448 -21.1796 46.1911 -20.0884 -33.3515 TIMING: 3741000 CPU: 11255, 0.00296451/step Wall: 11255, 0.00296451/step, 1.03675 hours remaining, 209.968750 MB of memory in use. ENERGY: 3741000 714.4135 2135.3053 1920.1635 108.4805 -205718.8517 17558.8321 0.0000 0.0000 34196.0375 -149085.6193 298.6425 -183281.6568 -148991.1848 300.0674 -82.0564 -50.7769 558651.5594 0.9416 0.7882 PRESSURE: 3741200 -194.471 51.6205 189.925 51.6209 -187.322 205.37 189.924 205.37 -96.8901 GPRESSURE: 3741200 -124.801 23.3205 177.272 101.384 -146.531 178.447 282.454 300.667 -103.746 PRESSAVG: 3741200 -12.9627 9.28614 12.9135 9.28616 11.5126 66.7339 12.9134 66.734 0.119979 GPRESSAVG: 3741200 -12.4378 9.67914 12.4467 8.25273 12.1423 66.5756 14.5848 66.4656 -0.946912 TIMING: 3741200 CPU: 11255.6, 0.00297748/step Wall: 11255.6, 0.00297748/step, 1.04113 hours remaining, 209.968750 MB of memory in use. ENERGY: 3741200 748.2271 2072.2133 1938.3014 109.8708 -205885.7581 17621.6040 0.0000 0.0000 34328.0588 -149067.4826 299.7955 -183395.5415 -148968.5327 299.3943 -159.5609 -125.0262 558697.9614 -0.4434 -0.4141 PRESSURE: 3741400 -277.854 -60.2752 -191.636 -60.2748 45.3674 -3.73773 -191.637 -3.73807 -126.562 GPRESSURE: 3741400 -290.318 -72.1043 -132.123 -35.8222 63.4167 -85.1083 -182.969 95.6515 -18.9052 PRESSAVG: 3741400 47.406 1.32477 17.0305 1.3248 -16.5319 4.11806 17.0305 4.11821 10.0486 GPRESSAVG: 3741400 47.1114 3.80753 14.7364 0.0400659 -15.6706 6.15945 17.4317 4.54515 9.70417 TIMING: 3741400 CPU: 11256.2, 0.00295995/step Wall: 11256.2, 0.00295995/step, 1.03483 hours remaining, 210.039062 MB of memory in use. ENERGY: 3741400 712.7694 2105.4159 1933.9715 115.2507 -205873.6557 17492.6842 0.0000 0.0000 34302.8780 -149210.6860 299.5756 -183513.5640 -149115.8504 299.9910 -119.6830 -81.9356 558236.5378 13.6409 13.7150 PRESSURE: 3741600 -399.856 16.3397 -30.0655 16.3408 35.0928 8.47852 -30.0645 8.47919 -113.667 GPRESSURE: 3741600 -350.536 61.3585 -8.37527 7.94383 67.3597 -5.44047 -44.6281 101.97 -109.456 PRESSAVG: 3741600 -1.22162 -11.7595 30.6605 -11.7594 8.04518 -7.44507 30.6605 -7.44517 -14.2587 GPRESSAVG: 3741600 -0.249745 -13.638 34.3946 -11.0148 5.96148 -8.03942 28.4021 -7.39522 -13.4534 TIMING: 3741600 CPU: 11256.8, 0.00295231/step Wall: 11256.8, 0.00295231/step, 1.032 hours remaining, 210.039062 MB of memory in use. ENERGY: 3741600 757.7238 2113.7420 1961.9374 118.8740 -205999.9881 17695.8031 0.0000 0.0000 34214.2568 -149137.6511 298.8016 -183351.9078 -149038.8824 299.0908 -159.4768 -130.8772 559430.2291 -2.4784 -2.5806 PRESSURE: 3741800 -101.854 -167.998 -72.9404 -167.998 2.1805 -145.972 -72.9404 -145.973 192.934 GPRESSURE: 3741800 -58.9381 -206.386 -24.2746 -245.811 0.810887 -182.449 -52.9742 -121.025 243.663 PRESSAVG: 3741800 -3.89975 -27.5812 -40.6728 -27.5812 10.4175 14.3206 -40.6729 14.3206 4.18081 GPRESSAVG: 3741800 -4.25965 -29.0791 -41.3047 -29.1215 11.6639 15.8789 -40.9303 12.9639 3.9898 TIMING: 3741800 CPU: 11257.4, 0.00298374/step Wall: 11257.4, 0.00298374/step, 1.04282 hours remaining, 210.039062 MB of memory in use. ENERGY: 3741800 690.5450 2110.2087 1954.3995 122.6326 -206021.4851 17774.4328 0.0000 0.0000 34293.8527 -149075.4137 299.4967 -183369.2664 -148977.8213 300.0033 31.0868 61.8454 559260.2914 3.5662 3.7980 PRESSURE: 3742000 -123.415 -111.646 126.148 -111.645 73.5168 55.3616 126.147 55.3622 -51.3668 GPRESSURE: 3742000 -72.71 -142.154 136.317 -100.489 153.515 105.066 174.02 208.217 -73.7542 PRESSAVG: 3742000 12.0221 -34.2627 11.2096 -34.2627 24.7612 -7.06195 11.2096 -7.06193 -18.2163 GPRESSAVG: 3742000 11.6326 -34.8498 9.82393 -30.1223 25.2172 -9.39556 12.9278 -4.38318 -18.0137 TIMING: 3742000 CPU: 11258, 0.00297294/step Wall: 11258, 0.00297294/step, 1.03888 hours remaining, 210.039062 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: 3742000 753.2526 2084.8018 1978.4808 115.8225 -206193.1987 17949.7848 0.0000 0.0000 34195.2898 -149115.7665 298.6360 -183311.0562 -149028.0846 299.5547 -33.7550 2.3503 558451.9601 6.1890 6.2787 PRESSURE: 3742200 -77.803 -43.176 25.669 -43.1765 73.4015 -159.796 25.6684 -159.797 -161.952 GPRESSURE: 3742200 -44.0346 -19.4564 33.6954 -27.8263 80.9513 -178.489 102.297 -143.666 -109.263 PRESSAVG: 3742200 6.00997 -26.3415 24.4558 -26.3416 39.7357 -2.68869 24.4558 -2.68855 -48.5571 GPRESSAVG: 3742200 5.92604 -23.696 25.9143 -28.3005 38.9585 -1.55392 23.7148 -3.89483 -47.5328 TIMING: 3742200 CPU: 11258.6, 0.00296337/step Wall: 11258.6, 0.00296337/step, 1.03537 hours remaining, 210.039062 MB of memory in use. ENERGY: 3742200 729.5895 2072.5008 1989.5485 124.3506 -206218.4389 17784.8443 0.0000 0.0000 34449.8259 -149067.7793 300.8589 -183517.6052 -148975.5476 300.0379 -55.4513 -24.1154 557903.3694 -0.9371 -0.8827 PRESSURE: 3742400 -36.1462 -84.5703 -106.674 -84.5703 -0.816171 -117.23 -106.673 -117.23 -254.702 GPRESSURE: 3742400 -26.3168 -137.192 -36.734 -66.0604 52.3681 -57.2461 -40.1439 -226.9 -217.89 PRESSAVG: 3742400 50.5808 23.2453 -13.6408 23.2453 63.8125 -53.4766 -13.6408 -53.4766 -75.1373 GPRESSAVG: 3742400 52.09 22.6648 -13.5053 23.0992 62.4362 -55.306 -12.9368 -52.8225 -74.6709 TIMING: 3742400 CPU: 11259.2, 0.00296228/step Wall: 11259.2, 0.00296228/step, 1.03482 hours remaining, 210.039062 MB of memory in use. ENERGY: 3742400 700.1303 2091.2553 1963.0957 98.4695 -205678.7582 17512.0698 0.0000 0.0000 34210.6493 -149103.0882 298.7701 -183313.7375 -149001.8193 299.2617 -97.2215 -63.9463 558989.1587 13.0853 13.2851 PRESSURE: 3742600 -5.25085 -228.864 35.6798 -228.864 134.114 -146.648 35.6801 -146.648 -127.073 GPRESSURE: 3742600 37.544 -262.531 98.2223 -181.383 172.917 -137.56 -49.7032 -64.711 -109.751 PRESSAVG: 3742600 -3.40365 -0.657191 24.757 -0.657234 14.3663 -39.7555 24.757 -39.7554 -22.1211 GPRESSAVG: 3742600 -3.44407 -2.1768 24.4492 0.723713 15.2688 -39.1494 22.8037 -38.0416 -22.6531 TIMING: 3742600 CPU: 11259.8, 0.00297065/step Wall: 11259.8, 0.00297065/step, 1.03758 hours remaining, 210.039062 MB of memory in use. ENERGY: 3742600 742.3884 2074.7441 1972.6983 109.1130 -205922.4145 17630.8534 0.0000 0.0000 34276.9664 -149115.6509 299.3493 -183392.6173 -149026.6791 299.1035 0.5967 33.5701 558110.9524 -3.7195 -3.6095 PRESSURE: 3742800 -106.449 24.9734 64.8114 24.9733 -38.1055 -116.952 64.8117 -116.95 -330.724 GPRESSURE: 3742800 -16.8339 -21.5984 99.6211 106.535 -87.2197 -146.119 49.0561 -78.6187 -277.529 PRESSAVG: 3742800 11.2991 7.58467 36.127 7.58461 38.0872 -59.9125 36.1269 -59.9127 -59.0858 GPRESSAVG: 3742800 11.0655 10.0699 36.2737 5.77947 37.77 -59.4249 36.6129 -63.1467 -59.0824 TIMING: 3742800 CPU: 11260.4, 0.0029967/step Wall: 11260.4, 0.0029967/step, 1.04651 hours remaining, 210.039062 MB of memory in use. ENERGY: 3742800 753.2844 2039.8815 2002.1380 118.3332 -205711.1030 17357.2499 0.0000 0.0000 34207.8535 -149232.3625 298.7457 -183440.2159 -149135.7948 299.1989 -158.4261 -127.1943 557298.0311 -3.2331 -3.4156 PRESSURE: 3743000 -268.275 -20.1351 41.7491 -20.1346 -155.917 -52.9345 41.7501 -52.9338 -293.054 GPRESSURE: 3743000 -215.935 -41.6936 56.7876 -18.1351 -124.441 -43.14 12.155 -18.343 -267.743 PRESSAVG: 3743000 23.4555 -46.4088 -32.2549 -46.4088 51.902 -69.7268 -32.2549 -69.7269 -85.601 GPRESSAVG: 3743000 23.9767 -45.8428 -31.0225 -45.2571 51.8554 -69.0156 -31.8145 -68.1714 -86.6592 TIMING: 3743000 CPU: 11261, 0.002976/step Wall: 11261, 0.002976/step, 1.03912 hours remaining, 210.039062 MB of memory in use. ENERGY: 3743000 743.2899 2058.5517 1945.6054 123.8916 -205607.9087 17332.7729 0.0000 0.0000 34377.2032 -149026.5940 300.2247 -183403.7972 -148935.1922 298.9987 -239.0817 -202.7062 558573.8392 -3.4145 -3.6090 PRESSURE: 3743200 -19.0933 -68.3899 252.055 -68.3909 69.736 -125.703 252.054 -125.702 -106.544 GPRESSURE: 3743200 4.80095 -34.6493 197.408 -51.5315 100.262 -92.4498 243.055 -95.5149 -58.6951 PRESSAVG: 3743200 23.6135 32.5409 -9.40636 32.5409 -15.649 -26.5241 -9.40643 -26.5241 -47.176 GPRESSAVG: 3743200 22.4241 31.0712 -11.4093 30.7918 -13.6755 -26.243 -9.12368 -27.1315 -48.1235 TIMING: 3743200 CPU: 11261.6, 0.0029699/step Wall: 11261.6, 0.0029699/step, 1.03683 hours remaining, 210.039062 MB of memory in use. ENERGY: 3743200 702.2418 2050.6432 1951.1195 117.7648 -206021.9628 17758.0297 0.0000 0.0000 34422.1335 -149020.0304 300.6171 -183442.1639 -148919.0341 300.2760 -18.6337 15.4558 557758.5848 -13.0705 -13.1250 PRESSURE: 3743400 85.8287 35.5112 -175.449 35.5107 71.1635 -47.0878 -175.45 -47.0886 -46.2391 GPRESSURE: 3743400 181.825 37.0425 -76.375 -20.0581 108.539 -27.1972 -152.436 -74.8127 -77.3097 PRESSAVG: 3743400 -2.02753 29.7817 -44.4917 29.7818 13.5032 -42.2526 -44.4918 -42.2527 -14.5653 GPRESSAVG: 3743400 -1.06351 31.3792 -44.4858 29.7713 11.0583 -41.9269 -44.8677 -44.4201 -13.0469 TIMING: 3743400 CPU: 11262.2, 0.00297955/step Wall: 11262.2, 0.00297955/step, 1.04003 hours remaining, 210.039062 MB of memory in use. ENERGY: 3743400 722.1084 2104.6785 1944.3915 120.5452 -206343.2106 17966.0978 0.0000 0.0000 34445.8727 -149039.5166 300.8244 -183485.3892 -148941.2045 299.4578 36.9177 71.0179 558962.5635 -1.0299 -1.0174 PRESSURE: 3743600 -114.649 4.87952 -13.3712 4.88011 -313.329 -224.486 -13.3718 -224.486 -87.9985 GPRESSURE: 3743600 -38.5788 -4.11241 -29.5644 -52.3482 -310.945 -202.096 -50.3488 -219.013 -61.8499 PRESSAVG: 3743600 115.813 -23.8785 -8.73425 -23.8786 -97.6918 -37.3219 -8.73436 -37.3219 -13.5599 GPRESSAVG: 3743600 114.967 -24.7309 -7.96461 -23.894 -95.9588 -40.6426 -9.3234 -33.5289 -14.7406 TIMING: 3743600 CPU: 11262.8, 0.0030059/step Wall: 11262.8, 0.0030059/step, 1.04906 hours remaining, 210.039062 MB of memory in use. ENERGY: 3743600 749.3810 2119.9572 1930.1962 115.0511 -205972.1759 17482.0177 0.0000 0.0000 34458.7735 -149116.7992 300.9370 -183575.5727 -149019.2361 299.8760 -171.9920 -137.1245 558915.2545 1.5206 1.4226 PRESSURE: 3743800 -305.805 -67.0191 1.14931 -67.02 12.0604 -175.613 1.15136 -175.612 -76.7504 GPRESSURE: 3743800 -285.911 -59.6708 7.65823 -127.113 23.9409 -70.7866 44.6539 -241.429 -12.8897 PRESSAVG: 3743800 -6.00827 -25.9931 -45.7316 -25.9931 10.5297 21.4207 -45.7316 21.4206 7.6077 GPRESSAVG: 3743800 -5.47578 -27.5659 -44.4373 -26.0977 9.66696 23.638 -45.5999 19.6845 7.14799 TIMING: 3743800 CPU: 11263.4, 0.0029955/step Wall: 11263.4, 0.0029955/step, 1.04526 hours remaining, 210.039062 MB of memory in use. ENERGY: 3743800 768.7684 2021.5190 1937.0372 114.8096 -206036.9687 17770.4046 0.0000 0.0000 34359.2635 -149065.1664 300.0680 -183424.4299 -148965.5923 299.7665 -123.4982 -91.6200 558768.2476 4.0431 3.7797 PRESSURE: 3744000 43.0113 -72.8445 32.5685 -72.8447 -119.171 71.2243 32.5686 71.2255 -145.679 GPRESSURE: 3744000 5.12079 -102.893 -86.6051 3.53115 -100.367 34.8179 154.442 34.3906 -41.4967 PRESSAVG: 3744000 23.2321 15.5379 -23.1319 15.5379 -28.6892 -4.30904 -23.1318 -4.30903 -11.909 GPRESSAVG: 3744000 22.4175 15.602 -25.171 17.6612 -28.5592 -4.81795 -23.2286 -3.86114 -11.8005 TIMING: 3744000 CPU: 11264, 0.00295259/step Wall: 11264, 0.00295259/step, 1.03013 hours remaining, 210.039062 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: 3744000 763.6431 2110.6987 1942.7054 111.4105 -206186.7528 17785.3705 0.0000 0.0000 34323.0210 -149149.9036 299.7515 -183472.9246 -149056.5185 299.5876 -73.9464 -45.5809 558498.0760 -5.7887 -5.9807 PRESSURE: 3744200 -55.7712 -53.4049 35.2375 -53.4049 -67.3378 -22.0858 35.237 -22.0849 -265.961 GPRESSURE: 3744200 -56.7827 -40.4054 17.2314 -111.631 -44.1081 -99.6418 -33.0661 -10.513 -196.332 PRESSAVG: 3744200 59.4453 0.186722 -6.85891 0.186725 12.7662 -11.837 -6.85891 -11.837 -47.8175 GPRESSAVG: 3744200 60.2872 -0.259643 -4.7047 0.775819 11.5995 -13.1514 -7.32398 -11.041 -47.2604 TIMING: 3744200 CPU: 11264.6, 0.00296541/step Wall: 11264.6, 0.00296541/step, 1.03444 hours remaining, 210.039062 MB of memory in use. ENERGY: 3744200 762.6769 2162.4060 1950.8262 116.7798 -205805.0420 17685.2824 0.0000 0.0000 34145.3224 -148981.7482 298.1996 -183127.0706 -148883.9802 299.6971 -129.6899 -99.0743 559588.4387 8.1313 8.2088 LDB: ============= START OF LOAD BALANCING ============== 11268.1 LDB: ============== END OF LOAD BALANCING =============== 11268.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11268.1 LDB: ============= START OF LOAD BALANCING ============== 11268.4 LDB: Largest compute 4802 load 0.028547 is 24.2% of average load 0.118204 LDB: Average compute 0.001715 is 1.5% of average load 0.118204 LDB: TIME 11268.4 LOAD: AVG 0.118204 MAX 0.209355 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.961 MB LDB: TIME 11268.4 LOAD: AVG 0.118204 MAX 0.209355 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.164 MB LDB: TIME 11268.4 LOAD: AVG 0.118204 MAX 0.209355 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.164 MB LDB: ============== END OF LOAD BALANCING =============== 11268.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11268.4 PRESSURE: 3744400 -86.9942 -28.291 86.0345 -28.2913 135.936 -16.6905 86.0339 -16.6907 -38.9976 GPRESSURE: 3744400 -86.9612 -18.234 16.157 -3.28872 198.952 29.7178 65.0651 -51.4549 -1.0067 PRESSAVG: 3744400 17.694 -34.1893 30.7873 -34.1893 20.5284 35.8248 30.7873 35.8247 -36.0994 GPRESSAVG: 3744400 17.1914 -32.8503 29.9571 -36.0573 21.6787 37.6895 31.0954 35.1111 -36.888 TIMING: 3744400 CPU: 11265.2, 0.00302123/step Wall: 11265.2, 0.00302123/step, 1.05374 hours remaining, 208.996094 MB of memory in use. ENERGY: 3744400 739.0550 2059.3618 1949.7450 119.6809 -206049.5635 17862.6301 0.0000 0.0000 34287.2395 -149031.8512 299.4390 -183319.0908 -148938.1299 299.7256 3.3148 36.9947 558901.2850 0.7077 0.6607 PRESSURE: 3744600 -111.795 -27.7188 -229.792 -27.7189 -209.552 -47.6155 -229.792 -47.6159 -77.3058 GPRESSURE: 3744600 -81.8638 -10.1898 -202.262 -54.8321 -206.647 -33.6996 -200.309 -130.781 -14.3047 PRESSAVG: 3744600 32.8374 -23.1954 -21.9785 -23.1954 20.5169 -14.3905 -21.9786 -14.3905 -20.8408 GPRESSAVG: 3744600 32.4131 -24.7109 -22.3364 -22.1943 20.6815 -15.8702 -23.4763 -12.7668 -20.2712 TIMING: 3744600 CPU: 11265.8, 0.00299346/step Wall: 11265.8, 0.00299346/step, 1.04389 hours remaining, 209.199219 MB of memory in use. ENERGY: 3744600 752.5214 2078.6113 1917.8669 111.2021 -205898.3735 17621.4519 0.0000 0.0000 34322.4807 -149094.2391 299.7468 -183416.7198 -148997.5708 299.9970 -132.8842 -100.9384 558754.0195 10.8378 10.9411 PRESSURE: 3744800 -305.265 -1.48352 -50.5663 -1.48358 -55.8642 36.7388 -50.5656 36.7402 -137.442 GPRESSURE: 3744800 -219.31 -2.7338 -84.9129 -49.2244 -71.6265 62.1649 19.6694 -44.161 -103.259 PRESSAVG: 3744800 -47.1051 35.4996 10.9413 35.4997 -3.20567 1.77944 10.9413 1.7794 -25.9484 GPRESSAVG: 3744800 -45.8544 37.2293 11.3169 35.5544 -2.84227 3.5646 12.2086 -1.33037 -27.6513 TIMING: 3744800 CPU: 11266.4, 0.00296364/step Wall: 11266.4, 0.00296364/step, 1.03332 hours remaining, 209.199219 MB of memory in use. ENERGY: 3744800 746.9021 2129.3494 1921.7644 110.4226 -205680.2802 17512.6256 0.0000 0.0000 34366.4110 -148892.8052 300.1304 -183259.2162 -148797.1962 300.2077 -166.1905 -131.3985 558547.9251 -25.4197 -25.4493 PRESSURE: 3745000 -101.921 22.0511 -39.8709 22.0504 -173.21 -111.194 -39.8728 -111.195 -57.6773 GPRESSURE: 3745000 3.52225 97.4017 -57.6956 -37.4967 -185.103 -102.054 -31.9418 -106.033 -67.8843 PRESSAVG: 3745000 -76.1138 30.5175 -41.9212 30.5175 14.0478 -60.999 -41.9211 -60.9989 24.3548 GPRESSAVG: 3745000 -77.3675 29.4009 -44.5996 29.9788 13.4244 -61.5101 -41.7608 -57.8343 26.0381 TIMING: 3745000 CPU: 11266.9, 0.0029733/step Wall: 11266.9, 0.0029733/step, 1.03652 hours remaining, 209.199219 MB of memory in use. ENERGY: 3745000 780.6385 2105.6348 1943.4450 112.0953 -206008.4896 17690.4070 0.0000 0.0000 34468.5218 -148907.7471 301.0222 -183376.2689 -148805.6837 300.3539 -110.9362 -83.1549 558881.8277 -12.5704 -12.6350 PRESSURE: 3745200 213.515 31.4237 -113.12 31.4236 -109.878 -171.738 -113.121 -171.737 56.0552 GPRESSURE: 3745200 243.255 28.4031 -102.755 19.6905 -36.3043 -164.832 -151.314 -178.141 43.9332 PRESSAVG: 3745200 -1.66971 -10.6245 -67.1516 -10.6245 0.259417 -33.6399 -67.1516 -33.64 39.812 GPRESSAVG: 3745200 -1.71165 -8.31223 -64.689 -11.6315 0.369153 -34.2514 -67.9464 -33.9702 39.9289 TIMING: 3745200 CPU: 11267.5, 0.00300512/step Wall: 11267.5, 0.00300512/step, 1.04745 hours remaining, 209.359375 MB of memory in use. ENERGY: 3745200 732.8903 2084.0133 1969.6952 117.6018 -205994.8114 17843.8448 0.0000 0.0000 34223.1926 -149023.5735 298.8797 -183246.7661 -148922.7601 299.8602 53.2308 83.6281 559190.4164 12.8006 12.8621 PRESSURE: 3745400 299.875 -81.2839 12.3328 -81.2831 -139.073 -96.6266 12.3313 -96.6267 137.332 GPRESSURE: 3745400 319.696 -106.412 -39.8271 -72.9269 -55.9796 -89.4149 9.33715 -57.4565 125.55 PRESSAVG: 3745400 41.6744 -18.9461 12.2394 -18.9461 -89.0552 -55.8262 12.2394 -55.8263 28.3659 GPRESSAVG: 3745400 41.0506 -20.7249 11.9986 -17.6896 -88.3094 -55.2275 13.0997 -56.4666 28.5886 TIMING: 3745400 CPU: 11268.1, 0.00295919/step Wall: 11268.1, 0.00295919/step, 1.03128 hours remaining, 209.359375 MB of memory in use. ENERGY: 3745400 755.9404 2116.5256 1955.8258 119.1849 -206221.4345 17871.9739 0.0000 0.0000 34350.7783 -149051.2057 299.9939 -183401.9840 -148950.5397 299.4500 99.3781 129.7556 557163.0033 -6.3383 -6.2234 PRESSURE: 3745600 -140.402 3.6436 -50.1196 3.64391 75.9345 -127.289 -50.1194 -127.288 6.79392 GPRESSURE: 3745600 -105.938 70.6328 -92.3987 23.908 74.6889 -171.127 -88.4946 -89.9243 74.9192 PRESSAVG: 3745600 -22.5107 3.59966 -16.2004 3.59968 52.5764 -44.7389 -16.2004 -44.7388 -28.1116 GPRESSAVG: 3745600 -20.3477 2.96701 -16.7911 3.62534 50.6886 -46.1669 -18.2937 -44.1538 -28.211 TIMING: 3745600 CPU: 11268.7, 0.00298781/step Wall: 11268.7, 0.00298781/step, 1.04109 hours remaining, 209.359375 MB of memory in use. ENERGY: 3745600 716.2188 2080.6820 1953.6994 121.8661 -205631.4411 17546.8140 0.0000 0.0000 34290.3704 -148921.7905 299.4663 -183212.1610 -148819.6620 299.6902 -19.2245 14.5568 558200.9895 0.6514 0.7100 PRESSURE: 3745800 -32.4786 -64.5786 242.273 -64.58 -518.142 11.937 242.272 11.937 -334.692 GPRESSURE: 3745800 -36.6385 -14.4777 209.216 -119.344 -435.182 58.3695 178.327 1.64803 -312.056 PRESSAVG: 3745800 65.3821 -27.5755 17.8355 -27.5756 32.8845 -25.2222 17.8356 -25.2221 -91.433 GPRESSAVG: 3745800 63.8322 -26.3321 16.6423 -29.8228 34.3155 -23.6801 20.1824 -26.8594 -91.0979 TIMING: 3745800 CPU: 11269.3, 0.00295495/step Wall: 11269.3, 0.00295495/step, 1.02947 hours remaining, 209.359375 MB of memory in use. ENERGY: 3745800 788.3380 2092.2376 1976.0893 106.9063 -205733.5234 17538.9925 0.0000 0.0000 34345.2422 -148885.7175 299.9455 -183230.9596 -148788.6103 299.8056 -295.1043 -261.2921 558344.4465 2.2779 2.3499 PRESSURE: 3746000 -111.61 -97.9808 76.5639 -97.9802 69.9735 9.37827 76.5636 9.37894 46.9695 GPRESSURE: 3746000 -72.8863 -86.5661 108.547 -60.7286 125.242 -23.2862 20.019 84.0674 37.0663 PRESSAVG: 3746000 -26.8222 -41.0263 20.1757 -41.0262 28.1947 31.1597 20.1756 31.1596 -45.4482 GPRESSAVG: 3746000 -28.0155 -42.3752 20.795 -37.5741 29.1652 30.6514 20.1167 32.4135 -45.429 TIMING: 3746000 CPU: 11269.9, 0.00293942/step Wall: 11269.9, 0.00293942/step, 1.0239 hours remaining, 209.359375 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: 3746000 757.1327 2083.2292 1966.0623 120.2744 -206258.3606 17838.0528 0.0000 0.0000 34458.4483 -149035.1609 300.9342 -183493.6092 -148942.0192 299.8961 1.7776 29.8073 558398.6271 -14.6919 -14.7598 PRESSURE: 3746200 241.757 -7.24658 -3.34162 -7.24537 -50.6087 -109.754 -3.34012 -109.753 82.4119 GPRESSURE: 3746200 251.181 12.1158 29.5165 -9.3126 -18.3622 -90.612 0.0705846 -143.042 137.946 PRESSAVG: 3746200 -24.3906 12.7544 39.9776 12.7544 55.5176 15.944 39.9777 15.9439 -39.993 GPRESSAVG: 3746200 -24.3716 14.9179 43.3731 9.67807 55.1491 16.2694 36.7001 13.7277 -40.4504 TIMING: 3746200 CPU: 11270.5, 0.00301314/step Wall: 11270.5, 0.00301314/step, 1.04941 hours remaining, 209.359375 MB of memory in use. ENERGY: 3746200 753.0406 2144.8607 1955.6527 110.4192 -206576.3985 18179.9503 0.0000 0.0000 34305.9776 -149126.4973 299.6026 -183432.4749 -149033.7671 299.7666 91.1866 123.5883 557849.1258 -2.9553 -3.2243 PRESSURE: 3746400 -225.388 47.3813 98.0697 47.3814 -31.5947 11.2848 98.07 11.2851 30.5484 GPRESSURE: 3746400 -198.203 12.8947 97.2411 -21.3979 -43.2569 -50.2394 153.707 143.795 123.078 PRESSAVG: 3746400 -83.6241 -39.2097 30.6966 -39.2098 -3.12121 0.185673 30.6966 0.185631 70.1639 GPRESSAVG: 3746400 -83.1495 -39.4625 27.9827 -36.9305 -3.82545 -1.02452 32.9832 2.89372 70.8378 TIMING: 3746400 CPU: 11271.1, 0.00298218/step Wall: 11271.1, 0.00298218/step, 1.03846 hours remaining, 209.359375 MB of memory in use. ENERGY: 3746400 792.3357 2112.7703 1940.5814 113.7152 -206531.5390 18007.5791 0.0000 0.0000 34396.4765 -149168.0809 300.3930 -183564.5574 -149076.0653 300.0324 -75.4782 -39.4606 558413.2681 -5.5271 -5.3791 PRESSURE: 3746600 -174.948 177.651 -63.9684 177.652 -130.917 -23.3396 -63.9687 -23.3407 149.479 GPRESSURE: 3746600 -87.9976 164.948 -68.5347 122.217 -185.845 39.4662 -9.43312 -26.0779 213.169 PRESSAVG: 3746600 -48.1548 2.58264 16.2673 2.58271 -29.0501 9.7389 16.2673 9.73886 42.0754 GPRESSAVG: 3746600 -47.2693 0.891159 15.4839 3.37097 -29.3774 12.2372 17.1882 7.18173 41.3376 TIMING: 3746600 CPU: 11271.7, 0.00296928/step Wall: 11271.7, 0.00296928/step, 1.0338 hours remaining, 209.359375 MB of memory in use. ENERGY: 3746600 764.9694 2103.4476 1938.3146 114.6144 -206301.5541 17826.0044 0.0000 0.0000 34293.3558 -149260.8478 299.4924 -183554.2036 -149159.9962 298.7458 -52.1284 -20.2246 557403.4417 -11.7098 -11.7697 PRESSURE: 3746800 -3.59039 -7.52717 -92.6049 -7.52689 -239.835 158.17 -92.6041 158.17 -56.256 GPRESSURE: 3746800 -29.7475 10.0514 -29.3372 -30.6862 -173.789 266.478 -148.661 89.0047 -0.240757 PRESSAVG: 3746800 1.1695 -21.5104 -12.5301 -21.5104 -11.03 10.3355 -12.5301 10.3354 25.2834 GPRESSAVG: 3746800 1.88881 -20.7794 -12.3808 -23.3796 -10.8343 9.64968 -15.0515 10.9582 24.8679 TIMING: 3746800 CPU: 11272.3, 0.00298726/step Wall: 11272.3, 0.00298726/step, 1.0399 hours remaining, 209.359375 MB of memory in use. ENERGY: 3746800 786.2473 2095.4756 1930.9867 115.6126 -206150.4826 17706.9312 0.0000 0.0000 34393.2612 -149121.9680 300.3649 -183515.2292 -149026.6532 299.9148 -99.8939 -67.9258 557552.0322 5.1410 5.3075 PRESSURE: 3747000 28.3828 -171.676 8.82106 -171.676 164.561 -96.8186 8.82147 -96.8195 80.782 GPRESSURE: 3747000 7.83343 -134.555 -9.09232 -187.988 225.319 -41.4463 -16.3101 -121.339 143.843 PRESSAVG: 3747000 23.844 -10.76 29.4679 -10.76 -23.3928 32.8007 29.4679 32.8006 11.0525 GPRESSAVG: 3747000 23.8833 -11.3087 29.1767 -9.4273 -23.2985 32.4662 31.3107 31.668 10.9137 TIMING: 3747000 CPU: 11272.9, 0.00298185/step Wall: 11272.9, 0.00298185/step, 1.03785 hours remaining, 209.359375 MB of memory in use. ENERGY: 3747000 770.2028 2093.0738 1959.9333 113.3002 -206127.7536 17916.3651 0.0000 0.0000 34209.4984 -149065.3800 298.7601 -183274.8785 -148968.3552 300.1875 91.2420 125.6653 557800.7859 3.8346 3.8328 PRESSURE: 3747200 -214.316 -62.709 154.783 -62.7095 31.6598 85.1151 154.782 85.1149 -146.31 GPRESSURE: 3747200 -184.369 -47.4318 130.641 -74.6044 22.5862 -64.1428 95.5955 112.289 -70.8409 PRESSAVG: 3747200 60.5501 -42.4503 29.7014 -42.4503 -76.9008 -19.9354 29.7015 -19.9355 -12.7628 GPRESSAVG: 3747200 60.5477 -44.1973 30.0119 -43.0004 -77.131 -19.353 28.5137 -19.9659 -12.5215 TIMING: 3747200 CPU: 11273.5, 0.00298895/step Wall: 11273.5, 0.00298895/step, 1.04016 hours remaining, 209.359375 MB of memory in use. ENERGY: 3747200 724.0385 2146.5819 1967.8821 123.7782 -205836.8991 17665.8241 0.0000 0.0000 34156.5448 -149052.2495 298.2976 -183208.7943 -148956.2953 299.5859 -109.6554 -77.5412 558639.8564 -9.7045 -9.7016 PRESSURE: 3747400 -280.004 -13.2589 -130.744 -13.2586 -166.977 -92.792 -130.743 -92.7922 112.234 GPRESSURE: 3747400 -255.87 23.8219 -155.459 -13.569 -172.205 -133.318 -102.871 7.89727 191.065 PRESSAVG: 3747400 -27.5099 -31.8311 32.8755 -31.8312 1.27397 -40.6879 32.8755 -40.6879 20.1291 GPRESSAVG: 3747400 -27.51 -29.8145 33.6603 -32.7603 0.465675 -43.2404 34.1474 -37.8479 20.5861 TIMING: 3747400 CPU: 11274.1, 0.00298287/step Wall: 11274.1, 0.00298287/step, 1.03787 hours remaining, 209.359375 MB of memory in use. ENERGY: 3747400 744.2217 2096.4743 1935.3850 118.5359 -205961.3817 17743.2118 0.0000 0.0000 34259.8089 -149063.7441 299.1994 -183323.5530 -148966.3791 299.3143 -111.5826 -79.0033 557457.9754 -2.0356 -2.1527 PRESSURE: 3747600 178.52 41.495 -136.166 41.4942 -21.6236 -115.226 -136.166 -115.227 -5.64299 GPRESSURE: 3747600 183.578 26.2343 -142.119 -3.71421 -0.780072 -177.209 -123.001 -173.844 68.5712 PRESSAVG: 3747600 47.0794 -26.6974 -8.88252 -26.6974 -29.7478 -2.5579 -8.88251 -2.55787 -37.693 GPRESSAVG: 3747600 46.1372 -27.1777 -9.71664 -26.1463 -29.6213 -0.878576 -9.72369 -3.39917 -37.2569 TIMING: 3747600 CPU: 11274.7, 0.0029926/step Wall: 11274.7, 0.0029926/step, 1.04109 hours remaining, 209.359375 MB of memory in use. ENERGY: 3747600 805.0051 2120.0595 1972.2787 130.3966 -206530.0705 18008.1829 0.0000 0.0000 34395.0758 -149099.0719 300.3808 -183494.1477 -149009.5926 299.7457 50.4177 83.7897 556678.9967 -6.7871 -6.9137 PRESSURE: 3747800 -427.227 -5.74593 -26.3859 -5.74707 -316.391 -2.46515 -26.3849 -2.46381 -199.078 GPRESSURE: 3747800 -367.788 -101.575 15.556 31.2276 -264.178 3.74269 -20.0682 -82.9139 -195.663 PRESSAVG: 3747800 21.591 -16.4514 -47.1386 -16.4515 37.4442 -62.9196 -47.1386 -62.9195 -46.7034 GPRESSAVG: 3747800 21.9846 -16.8039 -47.8999 -15.2933 37.8281 -61.03 -45.9125 -64.5854 -47.164 TIMING: 3747800 CPU: 11275.3, 0.00296159/step Wall: 11275.3, 0.00296159/step, 1.03014 hours remaining, 209.359375 MB of memory in use. ENERGY: 3747800 742.8666 2078.6774 1906.0169 120.0220 -206011.4768 17555.0924 0.0000 0.0000 34253.4511 -149355.3505 299.1439 -183608.8016 -149258.3814 299.5758 -314.2324 -275.8764 559095.7897 4.1106 4.2162 PRESSURE: 3748000 -2.82213 27.067 211.765 27.0659 287.809 19.7621 211.765 19.7629 -9.25733 GPRESSURE: 3748000 73.9769 4.92801 121.421 91.1808 235.439 29.2447 192.293 48.0939 67.9812 PRESSAVG: 3748000 39.7864 -61.9815 29.8368 -61.9816 -62.4907 -55.6138 29.8368 -55.6139 39.8285 GPRESSAVG: 3748000 40.5501 -62.7042 30.1564 -61.9668 -63.005 -58.027 29.1957 -52.0742 39.906 TIMING: 3748000 CPU: 11275.9, 0.00299493/step Wall: 11275.9, 0.00299493/step, 1.04157 hours remaining, 209.359375 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: 3748000 715.7872 2157.5760 1937.3200 117.6087 -206721.7556 18043.0761 0.0000 0.0000 34213.7366 -149536.6509 298.7971 -183750.3875 -149441.9383 299.3036 91.9100 125.7990 555860.7807 5.7081 5.8170 PRESSURE: 3748200 -127.551 57.0381 20.7257 57.0391 -34.4749 -76.656 20.7253 -76.6556 -187.18 GPRESSURE: 3748200 -144.273 130.729 156.657 31.7502 21.7924 -110.564 9.14233 -71.5753 -122.342 PRESSAVG: 3748200 22.0508 56.0657 19.9855 56.0657 -34.2824 21.0467 19.9854 21.0468 5.80957 GPRESSAVG: 3748200 21.6406 56.9494 21.597 55.5244 -33.2273 19.4766 20.7412 20.3726 4.65112 TIMING: 3748200 CPU: 11276.5, 0.00296313/step Wall: 11276.5, 0.00296313/step, 1.03035 hours remaining, 209.359375 MB of memory in use. ENERGY: 3748200 735.7215 2121.4239 1947.9847 115.4790 -206009.2994 17567.8271 0.0000 0.0000 34062.7618 -149458.1015 297.4786 -183520.8633 -149358.7815 299.5073 -116.4021 -81.6076 558335.7964 -2.1407 -2.3119 LDB: ============= START OF LOAD BALANCING ============== 11280 LDB: ============== END OF LOAD BALANCING =============== 11280 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11280 LDB: ============= START OF LOAD BALANCING ============== 11280.3 LDB: Largest compute 4802 load 0.030048 is 25.4% of average load 0.118248 LDB: Average compute 0.001711 is 1.4% of average load 0.118248 LDB: TIME 11280.3 LOAD: AVG 0.118248 MAX 0.211155 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.172 MB LDB: TIME 11280.3 LOAD: AVG 0.118248 MAX 0.211155 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.172 MB LDB: TIME 11280.3 LOAD: AVG 0.118248 MAX 0.211155 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.172 MB LDB: ============== END OF LOAD BALANCING =============== 11280.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11280.3 PRESSURE: 3748400 31.0491 -33.9375 142.735 -33.9364 67.7126 -35.2135 142.735 -35.2127 177.048 GPRESSURE: 3748400 14.7747 -23.9381 225.371 -24.8788 107.037 -17.4481 128.881 -69.7499 245.542 PRESSAVG: 3748400 0.0113033 -23.3907 -9.19975 -23.3907 45.0892 -29.4816 -9.19981 -29.4816 -60.8806 GPRESSAVG: 3748400 0.580503 -21.9348 -11.8481 -24.4706 43.4937 -27.5504 -10.4076 -30.9085 -59.7949 TIMING: 3748400 CPU: 11277.1, 0.00304433/step Wall: 11277.1, 0.00304433/step, 1.05841 hours remaining, 209.214844 MB of memory in use. ENERGY: 3748400 755.9600 2043.4343 1974.1169 116.7486 -206876.4003 18188.4271 0.0000 0.0000 34133.0141 -149664.6993 298.0921 -183797.7134 -149572.5440 298.7463 91.9366 122.4510 557692.6457 -5.2600 -5.2402 PRESSURE: 3748600 -121.137 0.212966 -95.1806 0.212533 -11.9484 54.2298 -95.1795 54.23 -303.511 GPRESSURE: 3748600 -63.8809 89.8144 -87.9055 -68.9958 -13.034 137.813 -57.0116 52.6323 -256.227 PRESSAVG: 3748600 4.52336 -3.38079 -2.43373 -3.38079 -17.032 23.6166 -2.43379 23.6166 32.684 GPRESSAVG: 3748600 4.24691 -1.96233 0.0526073 -4.00002 -16.8996 22.5883 -3.77579 26.8741 32.6688 TIMING: 3748600 CPU: 11277.7, 0.00298267/step Wall: 11277.7, 0.00298267/step, 1.03681 hours remaining, 209.285156 MB of memory in use. ENERGY: 3748600 735.6592 2064.8718 1927.6722 116.6427 -206128.6711 17549.1020 0.0000 0.0000 33999.3581 -149735.3652 296.9249 -183734.7233 -149636.8368 297.7355 -145.5322 -111.0471 557066.4017 6.7251 6.6720 PRESSURE: 3748800 23.2508 -12.6332 71.5853 -12.6327 326.775 -141.841 71.5871 -141.839 96.8655 GPRESSURE: 3748800 74.0559 16.8237 48.0143 4.28216 299.915 -168.065 7.27037 -212.492 168.989 PRESSAVG: 3748800 3.87961 -12.0481 28.192 -12.048 -29.0266 23.0103 28.192 23.0103 56.9163 GPRESSAVG: 3748800 3.61376 -15.8507 25.9471 -7.96112 -28.2176 22.6889 31.6258 21.8648 56.1797 TIMING: 3748800 CPU: 11278.3, 0.00298461/step Wall: 11278.3, 0.00298461/step, 1.03732 hours remaining, 209.285156 MB of memory in use. ENERGY: 3748800 696.4336 2042.8572 1959.6757 111.7349 -206748.6471 18119.5232 0.0000 0.0000 34124.4411 -149693.9814 298.0172 -183818.4225 -149596.1344 298.3626 148.9638 180.9867 555343.5865 10.5898 10.5253 PRESSURE: 3749000 51.9475 24.5992 -54.1804 24.5998 34.6888 -47.9266 -54.18 -47.9257 299.827 GPRESSURE: 3749000 83.641 19.1189 -72.0622 35.359 60.2925 -30.6431 -41.12 -57.6795 334.563 PRESSAVG: 3749000 35.965 10.143 45.579 10.143 13.1604 -17.0834 45.5791 -17.0834 -28.9261 GPRESSAVG: 3749000 34.0574 12.9653 46.2821 7.10512 13.3019 -15.7173 45.1647 -17.7961 -27.2695 TIMING: 3749000 CPU: 11278.9, 0.0029699/step Wall: 11278.9, 0.0029699/step, 1.03204 hours remaining, 209.285156 MB of memory in use. ENERGY: 3749000 726.7118 2091.4335 1962.0203 113.6021 -206912.6905 17931.7554 0.0000 0.0000 34396.7853 -149690.3821 300.3957 -184087.1674 -149591.6517 298.1665 128.8210 159.4988 555476.3142 6.7331 6.6966 PRESSURE: 3749200 -100.133 51.5601 55.6144 51.5591 179.891 260.907 55.6157 260.906 -103.964 GPRESSURE: 3749200 -86.8703 -26.082 61.3632 83.4616 189.273 287.985 80.3595 259.02 -36.4387 PRESSAVG: 3749200 36.6436 46.3193 79.9147 46.3193 5.12565 37.4587 79.9146 37.4586 -47.1588 GPRESSAVG: 3749200 37.5321 45.172 77.6723 46.4532 4.87372 36.9927 78.8322 37.5171 -47.9982 TIMING: 3749200 CPU: 11279.5, 0.00297956/step Wall: 11279.5, 0.00297956/step, 1.03523 hours remaining, 209.285156 MB of memory in use. ENERGY: 3749200 738.0695 2086.4560 1929.0367 114.2351 -206375.5877 17765.7084 0.0000 0.0000 34207.7930 -149534.2890 298.7452 -183742.0820 -149433.8288 298.7617 -8.0691 21.9879 555874.7103 -1.7965 -1.8641 PRESSURE: 3749400 -235.836 20.2416 32.3008 20.2418 146.387 -44.5297 32.2995 -44.5291 -20.8908 GPRESSURE: 3749400 -159.971 -9.6721 111.948 -31.6065 163.916 -30.1598 -36.7106 -42.0145 -10.8613 PRESSAVG: 3749400 85.2302 53.6987 6.90952 53.6987 35.5443 40.9587 6.90949 40.9587 -93.8074 GPRESSAVG: 3749400 86.8244 54.029 10.6776 54.3896 34.0755 41.0444 6.50715 40.2774 -94.1293 TIMING: 3749400 CPU: 11280.1, 0.00301502/step Wall: 11280.1, 0.00301502/step, 1.04739 hours remaining, 209.285156 MB of memory in use. ENERGY: 3749400 771.6391 2077.5980 1942.2075 117.1915 -206545.1349 17849.2649 0.0000 0.0000 34341.9181 -149445.3158 299.9165 -183787.2339 -149351.4721 298.6967 -36.7800 -2.3056 555729.3421 8.9890 8.9236 PRESSURE: 3749600 101.535 -144.008 39.3352 -144.007 107.188 73.7036 39.3358 73.703 151.584 GPRESSURE: 3749600 161.437 -158.233 -80.3136 -117.972 120.328 77.6821 126.154 107.968 184.345 PRESSAVG: 3749600 -10.3373 0.480655 40.9846 0.48085 10.5907 58.7038 40.9847 58.7037 -29.6011 GPRESSAVG: 3749600 -11.124 0.823187 40.1377 0.723411 12.3218 57.709 40.9334 59.7422 -30.4253 TIMING: 3749600 CPU: 11280.7, 0.00304203/step Wall: 11280.7, 0.00304203/step, 1.0566 hours remaining, 209.285156 MB of memory in use. ENERGY: 3749600 744.9600 2124.2002 1923.3998 121.4129 -206113.6694 17880.8442 0.0000 0.0000 33800.8171 -149518.0353 295.1909 -183318.8524 -149415.3427 298.6945 120.1025 155.3699 556246.1876 -9.7826 -9.7425 PRESSURE: 3749800 16.6302 -47.2733 -85.4667 -47.273 -116.974 -5.61878 -85.4659 -5.61696 -159.957 GPRESSURE: 3749800 33.7033 -33.8997 -114.29 -19.4862 -95.3446 -49.7708 -92.8872 -5.50147 -105.539 PRESSAVG: 3749800 10.2622 -20.518 -31.9893 -20.518 -6.84662 32.9849 -31.9894 32.985 -35.2132 GPRESSAVG: 3749800 9.10076 -20.717 -32.8304 -19.151 -6.6292 33.8671 -31.296 32.5799 -34.4375 TIMING: 3749800 CPU: 11281.3, 0.00301398/step Wall: 11281.3, 0.00301398/step, 1.04669 hours remaining, 209.285156 MB of memory in use. ENERGY: 3749800 740.5820 2099.8588 1956.0569 107.4770 -205993.5262 17631.9442 0.0000 0.0000 34242.4459 -149215.1614 299.0478 -183457.6073 -149118.7657 299.2427 -86.7671 -55.7266 558033.0238 -10.5992 -10.6553 PRESSURE: 3750000 30.1208 125.174 48.1382 125.175 -56.5355 72.5747 48.1384 72.5756 -401.937 GPRESSURE: 3750000 40.0139 156.397 58.6183 63.36 -31.0927 108.656 33.7611 73.954 -344.404 PRESSAVG: 3750000 2.43751 -26.2564 -17.6528 -26.2565 -33.5652 55.3087 -17.6528 55.3087 34.045 GPRESSAVG: 3750000 2.27712 -27.1143 -16.1652 -28.4583 -34.9936 53.3738 -17.5133 55.0227 35.5434 TIMING: 3750000 CPU: 11281.9, 0.00302664/step Wall: 11281.9, 0.00302664/step, 1.05092 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: 3750000 751.5257 2119.7292 1935.7316 113.7033 -205955.6399 17522.0638 0.0000 0.0000 34146.2598 -149366.6265 298.2078 -183512.8863 -149269.4589 298.9416 -142.7837 -111.8276 556288.6005 0.9724 0.9423 PRESSURE: 3750200 -59.9845 -36.7311 96.0677 -36.7327 213.919 25.4285 96.0664 25.4265 -166.598 GPRESSURE: 3750200 -13.064 -55.4182 83.5449 8.74432 209.679 43.3715 145.154 -23.4146 -125.33 PRESSAVG: 3750200 -4.81697 18.7371 25.3842 18.7371 25.6202 -5.52922 25.3842 -5.5292 -74.681 GPRESSAVG: 3750200 -3.79534 20.3952 24.7264 17.0301 26.7715 -4.34109 26.1705 -6.79135 -76.5015 TIMING: 3750200 CPU: 11282.5, 0.00299714/step Wall: 11282.5, 0.00299714/step, 1.04051 hours remaining, 209.285156 MB of memory in use. ENERGY: 3750200 754.2092 2117.8230 1956.2868 116.7650 -206154.8917 17737.0617 0.0000 0.0000 34107.8652 -149364.8808 297.8725 -183472.7459 -149267.7186 298.5936 -4.2212 23.7619 556323.8308 -17.9593 -17.8418 PRESSURE: 3750400 148.195 -18.7815 -38.3408 -18.7821 59.7318 -95.3917 -38.3414 -95.3922 139.432 GPRESSURE: 3750400 180.749 4.90721 27.5824 8.22719 108.098 -32.0883 -69.0014 -124.502 146.993 PRESSAVG: 3750400 -53.5073 9.43613 5.70403 9.4362 34.2302 14.4284 5.70393 14.4285 10.5917 GPRESSAVG: 3750400 -53.2395 9.38753 6.10387 12.1154 34.1236 17.3885 4.78893 14.1431 10.4488 TIMING: 3750400 CPU: 11283.1, 0.0030004/step Wall: 11283.1, 0.0030004/step, 1.04147 hours remaining, 209.285156 MB of memory in use. ENERGY: 3750400 759.4365 2121.8333 1952.3899 121.9730 -206503.9400 18180.6535 0.0000 0.0000 33913.2133 -149454.4405 296.1725 -183367.6537 -149360.9363 298.1517 115.7862 145.2801 558615.1535 -2.8952 -2.8890 PRESSURE: 3750600 10.2079 61.2603 99.9223 61.26 -90.3643 -95.7579 99.9231 -95.7594 70.4891 GPRESSURE: 3750600 -32.5471 71.5684 91.1539 74.0121 -24.6216 -9.83478 152.394 -108.544 129.163 PRESSAVG: 3750600 -78.1565 -81.7411 22.8221 -81.7411 10.7204 11.877 22.822 11.8769 27.9139 GPRESSAVG: 3750600 -77.8174 -81.823 22.8777 -83.4744 9.74958 8.15362 20.6807 13.6938 28.5588 TIMING: 3750600 CPU: 11283.7, 0.00299355/step Wall: 11283.7, 0.00299355/step, 1.03893 hours remaining, 209.488281 MB of memory in use. ENERGY: 3750600 761.3622 2114.2473 1929.6898 101.9190 -206829.5466 18153.1735 0.0000 0.0000 34265.9494 -149503.2054 299.2531 -183769.1548 -149404.3291 298.8361 -3.2224 23.9980 558095.6589 -13.1741 -13.1697 PRESSURE: 3750800 -25.1976 54.5905 -3.17722 54.5911 255.305 40.206 -3.17704 40.2066 159.96 GPRESSURE: 3750800 13.46 75.5414 -45.8841 38.1008 285.244 -2.02609 28.4794 29.2583 188.262 PRESSAVG: 3750800 -54.2161 6.37285 20.3315 6.37285 60.1156 19.9818 20.3315 19.9818 5.75576 GPRESSAVG: 3750800 -54.422 7.29106 20.7687 6.60569 61.5267 21.5764 19.7907 17.8318 4.72687 TIMING: 3750800 CPU: 11284.3, 0.00299216/step Wall: 11284.3, 0.00299216/step, 1.03828 hours remaining, 209.488281 MB of memory in use. ENERGY: 3750800 746.8648 2126.6427 1923.9053 123.4820 -206704.0627 18063.1564 0.0000 0.0000 34123.2647 -149596.7468 298.0070 -183720.0115 -149493.4257 298.9318 130.0224 162.3220 556101.4062 3.8851 3.9439 PRESSURE: 3751000 -57.2012 80.04 -66.6537 80.0401 15.0186 -66.8231 -66.6542 -66.8253 -131.988 GPRESSURE: 3751000 -3.74732 108.396 -73.1041 5.36595 45.8168 -48.2884 -112.1 -34.5947 -104.251 PRESSAVG: 3751000 42.8196 28.6701 4.22882 28.6702 -17.7728 47.0448 4.22877 47.0448 3.41999 GPRESSAVG: 3751000 42.4916 27.4008 2.08725 29.3801 -18.4656 46.5621 6.30822 46.8135 4.2152 TIMING: 3751000 CPU: 11284.9, 0.00300905/step Wall: 11284.9, 0.00300905/step, 1.04397 hours remaining, 209.488281 MB of memory in use. ENERGY: 3751000 761.4867 2071.3368 1950.9540 120.1646 -206780.4804 17975.7591 0.0000 0.0000 34275.5612 -149625.2179 299.3370 -183900.7791 -149520.4433 297.6799 -58.0570 -20.7273 558504.6946 9.4889 9.4138 PRESSURE: 3751200 -168.13 145.181 86.805 145.182 124.402 122.695 86.8042 122.696 -19.4645 GPRESSURE: 3751200 -146.298 258.876 76.9725 127.106 145.337 194.228 147.112 117.123 36.8141 PRESSAVG: 3751200 25.2545 8.79068 15.1923 8.79065 57.6853 -12.4563 15.1923 -12.4564 -19.9479 GPRESSAVG: 3751200 25.2253 10.0135 17.2346 8.14862 57.2144 -12.0708 12.1778 -9.00303 -19.4574 TIMING: 3751200 CPU: 11285.5, 0.00299243/step Wall: 11285.5, 0.00299243/step, 1.03804 hours remaining, 209.488281 MB of memory in use. ENERGY: 3751200 772.4735 2138.5597 1927.3654 121.0984 -206556.4355 17854.3357 0.0000 0.0000 34121.7388 -149620.8639 297.9936 -183742.6027 -149531.5787 298.4831 -21.0639 11.9510 556935.7299 20.9973 20.9941 PRESSURE: 3751400 -158.74 3.98124 -216.271 3.98172 -10.6762 -13.3421 -216.271 -13.3413 -138.168 GPRESSURE: 3751400 -145.356 0.483585 -245.503 -43.8769 40.0536 -18.1064 -212.951 -14.8807 -87.7208 PRESSAVG: 3751400 -52.0375 5.56465 -6.1001 5.56469 55.5338 -47.0978 -6.10011 -47.0979 -34.0895 GPRESSAVG: 3751400 -51.5478 4.55936 -6.26119 5.90897 55.5573 -46.1062 -3.85212 -49.7823 -34.5844 TIMING: 3751400 CPU: 11286.1, 0.0029908/step Wall: 11286.1, 0.0029908/step, 1.03731 hours remaining, 209.488281 MB of memory in use. ENERGY: 3751400 728.4715 2065.6746 1953.4556 103.4915 -206405.8941 17845.3714 0.0000 0.0000 34152.1893 -149557.2403 298.2596 -183709.4296 -149456.1910 297.8434 -102.5281 -64.3409 557447.7044 -10.1977 -10.1917 PRESSURE: 3751600 -285.886 -147.793 -25.909 -147.794 -345.359 -32.382 -25.9076 -32.3821 7.31193 GPRESSURE: 3751600 -203.658 -184.18 65.1496 -116.169 -328.115 -60.8707 -78.523 -8.60292 8.18657 PRESSAVG: 3751600 1.7623 28.3545 11.8946 28.3544 74.2523 33.0121 11.8946 33.0119 -61.91 GPRESSAVG: 3751600 1.1316 29.3592 11.3618 29.0001 75.1283 32.7678 12.1871 34.1966 -62.3332 TIMING: 3751600 CPU: 11286.7, 0.00298567/step Wall: 11286.7, 0.00298567/step, 1.03536 hours remaining, 209.488281 MB of memory in use. ENERGY: 3751600 719.8415 2157.0103 1963.3821 111.1014 -206070.6253 17302.5098 0.0000 0.0000 34165.4434 -149651.3366 298.3753 -183816.7800 -149549.9006 297.5313 -207.9776 -174.5288 556611.2515 4.7015 4.6422 PRESSURE: 3751800 19.4604 105.537 196.1 105.536 68.3265 84.8263 196.102 84.8264 244.66 GPRESSURE: 3751800 102.149 85.2678 46.8547 103.202 75.4659 65.812 274.723 80.2088 257.439 PRESSAVG: 3751800 -61.71 -16.9326 56.9577 -16.9326 80.0403 17.6664 56.9577 17.6665 -32.4739 GPRESSAVG: 3751800 -62.1638 -18.2648 55.2908 -17.185 80.164 18.2323 57.3839 18.6845 -32.6771 TIMING: 3751800 CPU: 11287.3, 0.00301257/step Wall: 11287.3, 0.00301257/step, 1.04452 hours remaining, 209.488281 MB of memory in use. ENERGY: 3751800 725.1055 2144.3909 1934.8062 119.0807 -206567.9533 17962.7456 0.0000 0.0000 34047.2207 -149634.6037 297.3428 -183681.8244 -149540.8640 298.0516 110.8157 145.0182 555990.6728 -4.7145 -4.8923 PRESSURE: 3752000 25.5403 175.028 139.453 175.029 40.0587 -16.6343 139.453 -16.6341 -222.725 GPRESSURE: 3752000 163.804 178.719 89.0694 148.102 4.60706 -10.0832 145.866 32.6862 -223.842 PRESSAVG: 3752000 -10.0462 18.9213 76.8161 18.9212 -7.62983 -1.5783 76.8161 -1.57844 37.8097 GPRESSAVG: 3752000 -9.53488 19.4027 79.4079 18.51 -7.77044 -4.17906 76.2275 -2.39066 37.4243 TIMING: 3752000 CPU: 11287.9, 0.00298944/step Wall: 11287.9, 0.00298944/step, 1.03634 hours remaining, 209.488281 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: 3752000 760.5940 2111.4895 1923.2960 114.7046 -206510.0609 17772.1331 0.0000 0.0000 34222.7680 -149605.0758 298.8759 -183827.8438 -149512.9559 298.0241 -52.3753 -18.4770 557056.2439 6.7112 6.7063 PRESSURE: 3752200 -78.2105 -122.311 49.6797 -122.311 -137.003 -39.5115 49.6796 -39.5089 -286.983 GPRESSURE: 3752200 -63.397 -60.1803 241.634 -103.952 -94.492 -33.1608 11.0302 -120.134 -260.335 PRESSAVG: 3752200 10.7685 -62.6162 56.2337 -62.6163 20.1231 -10.1336 56.2336 -10.1337 -45.7609 GPRESSAVG: 3752200 11.0238 -62.4282 56.6456 -63.6141 19.4692 -9.86753 54.8493 -10.6416 -46.1708 TIMING: 3752200 CPU: 11288.5, 0.00296954/step Wall: 11288.5, 0.00296954/step, 1.02928 hours remaining, 209.488281 MB of memory in use. ENERGY: 3752200 803.1059 2082.8602 1936.4691 109.6303 -206158.4654 17628.9051 0.0000 0.0000 34349.9124 -149247.5824 299.9863 -183597.4948 -149144.5041 298.6920 -167.3988 -139.4081 558434.0678 -4.9564 -5.2260 LDB: ============= START OF LOAD BALANCING ============== 11292 LDB: ============== END OF LOAD BALANCING =============== 11292 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11292 LDB: ============= START OF LOAD BALANCING ============== 11292.3 LDB: Largest compute 4802 load 0.028472 is 24.1% of average load 0.118266 LDB: Average compute 0.001706 is 1.4% of average load 0.118266 LDB: TIME 11292.3 LOAD: AVG 0.118266 MAX 0.209945 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.219 MB LDB: TIME 11292.3 LOAD: AVG 0.118266 MAX 0.209945 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.234 MB LDB: TIME 11292.3 LOAD: AVG 0.118266 MAX 0.209945 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.234 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11292.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11292.3 PRESSURE: 3752400 69.8808 -50.9865 -174.075 -50.9872 94.7929 -29.2034 -174.076 -29.2051 3.20231 GPRESSURE: 3752400 68.0537 -29.4093 -181.667 -14.5021 154.269 -60.6384 -59.4785 20.0507 39.9089 PRESSAVG: 3752400 -51.8815 5.16642 11.3907 5.16634 44.1637 -0.842559 11.3907 -0.842619 -17.2708 GPRESSAVG: 3752400 -52.0475 4.10979 9.25761 7.07916 45.2055 1.47989 12.2611 -1.60922 -18.3987 TIMING: 3752400 CPU: 11289.1, 0.00304723/step Wall: 11289.1, 0.00304723/step, 1.05603 hours remaining, 212.121094 MB of memory in use. ENERGY: 3752400 750.7257 2090.8569 1932.2200 123.5625 -206563.4600 17907.7528 0.0000 0.0000 34265.2342 -149493.1079 299.2468 -183758.3421 -149392.8912 298.7788 55.9587 87.4104 556486.1220 -8.3295 -8.4136 PRESSURE: 3752600 60.8172 -161.116 -77.795 -161.117 97.951 -45.6307 -77.7957 -45.6298 -148.363 GPRESSURE: 3752600 76.4001 -179.168 -109.36 -173.768 128.683 -65.0139 -75.9876 -67.5582 -100.476 PRESSAVG: 3752600 -10.4918 -34.7744 -24.1745 -34.7744 15.8236 7.92849 -24.1744 7.92857 0.193013 GPRESSAVG: 3752600 -10.4281 -36.2169 -23.0823 -34.9695 14.7645 7.6641 -21.2937 8.32401 1.42108 TIMING: 3752600 CPU: 11289.7, 0.00298798/step Wall: 11289.7, 0.00298798/step, 1.03534 hours remaining, 212.320312 MB of memory in use. ENERGY: 3752600 721.0123 2149.6932 1964.6451 100.0239 -206431.4970 17826.4260 0.0000 0.0000 34162.9226 -149506.7741 298.3533 -183669.6966 -149407.0082 298.4205 3.4683 34.8690 556459.1785 1.8416 1.9191 PRESSURE: 3752800 -53.5829 58.9093 -35.9029 58.9078 3.61874 10.7972 -35.9031 10.7987 5.00132 GPRESSURE: 3752800 -3.09946 20.9165 -8.89154 101.921 16.2687 -7.05806 -5.02387 18.3609 32.9992 PRESSAVG: 3752800 42.3481 13.2378 -15.1413 13.2378 -31.8703 -23.9795 -15.1414 -23.9795 -30.8509 GPRESSAVG: 3752800 42.778 13.6667 -16.9232 12.4275 -32.3533 -23.3295 -17.4823 -22.9755 -31.619 TIMING: 3752800 CPU: 11290.3, 0.00302437/step Wall: 11290.3, 0.00302437/step, 1.04778 hours remaining, 212.320312 MB of memory in use. ENERGY: 3752800 739.2949 2075.0312 1941.4307 117.6793 -206320.1123 17833.4257 0.0000 0.0000 34180.8761 -149432.3746 298.5101 -183613.2506 -149328.7765 298.7871 -14.9876 15.3895 557725.5980 -6.7910 -7.0647 PRESSURE: 3753000 69.3494 205.477 -227.08 205.478 -189.784 -34.3215 -227.08 -34.3201 5.58905 GPRESSURE: 3753000 82.1945 180.898 -156.679 209.272 -126.522 -4.70216 -223.344 -43.2863 24.6464 PRESSAVG: 3753000 27.0816 27.5645 -39.9689 27.5646 -15.2177 -52.7957 -39.9689 -52.7957 -23.1561 GPRESSAVG: 3753000 25.1997 28.4365 -39.0809 28.7572 -14.2432 -54.0896 -39.1473 -53.3903 -22.7661 TIMING: 3753000 CPU: 11290.9, 0.00300985/step Wall: 11290.9, 0.00300985/step, 1.04258 hours remaining, 212.320312 MB of memory in use. ENERGY: 3753000 742.2543 2066.4339 1961.1306 105.2891 -206464.3544 17853.7232 0.0000 0.0000 34293.2768 -149442.2464 299.4917 -183735.5232 -149340.8989 299.0905 -38.2818 -6.5605 558206.5740 -3.7641 -3.9365 PRESSURE: 3753200 105.352 -10.3699 0.253906 -10.3694 123.877 -8.13988 0.254106 -8.14099 -290.806 GPRESSURE: 3753200 154.405 -11.6287 85.0693 47.4542 119.404 76.4849 18.2059 -26.9331 -231.756 PRESSAVG: 3753200 47.8165 -5.42253 -22.5716 -5.42252 -13.8491 -36.0796 -22.5716 -36.0797 -29.047 GPRESSAVG: 3753200 47.3923 -3.05377 -22.6453 -7.18594 -13.9547 -37.0112 -22.605 -35.4615 -28.5356 TIMING: 3753200 CPU: 11291.5, 0.00299522/step Wall: 11291.5, 0.00299522/step, 1.03735 hours remaining, 212.320312 MB of memory in use. ENERGY: 3753200 744.8921 2087.7411 1937.5472 108.3640 -206364.8044 17898.0356 0.0000 0.0000 34208.5984 -149379.6260 298.7522 -183588.2245 -149282.2048 299.7691 -20.5256 14.0175 557818.9256 1.6401 1.6340 PRESSURE: 3753400 -99.6188 -44.1845 -85.3333 -44.1853 7.3963 -38.8013 -85.333 -38.8024 103.981 GPRESSURE: 3753400 -120.109 -29.221 14.9234 -40.6062 21.5513 -43.6447 -98.9791 -60.0556 206.187 PRESSAVG: 3753400 51.5947 0.940974 -65.4758 0.941032 -68.4294 -30.0906 -65.4758 -30.0905 36.7463 GPRESSAVG: 3753400 51.5564 -1.37971 -66.4421 3.76495 -67.5961 -28.8977 -64.6971 -30.2923 36.0042 TIMING: 3753400 CPU: 11292.1, 0.00300478/step Wall: 11292.1, 0.00300478/step, 1.04049 hours remaining, 212.320312 MB of memory in use. ENERGY: 3753400 711.7125 2121.0339 1930.0989 114.8431 -206310.2298 17839.3175 0.0000 0.0000 34328.0648 -149265.1591 299.7955 -183593.2239 -149165.3493 299.6225 3.9196 35.8766 557450.6642 6.6372 6.6548 PRESSURE: 3753600 89.6673 72.767 -47.5744 72.7673 250.673 -20.0864 -47.5745 -20.0861 212.519 GPRESSURE: 3753600 157.546 74.192 -145.901 215.782 259.362 -6.41083 -4.44935 -73.3813 227.882 PRESSAVG: 3753600 28.3571 2.92285 11.9038 2.92287 -27.2844 2.824 11.9038 2.82392 1.61971 GPRESSAVG: 3753600 28.3432 4.05585 12.945 2.38876 -29.293 2.01923 9.64733 2.79636 3.23955 TIMING: 3753600 CPU: 11292.7, 0.00301615/step Wall: 11292.7, 0.00301615/step, 1.04426 hours remaining, 212.320312 MB of memory in use. ENERGY: 3753600 757.4892 2072.5466 1935.1939 117.6671 -206805.0780 18212.3576 0.0000 0.0000 34586.2402 -149123.5835 302.0502 -183709.8237 -149028.4558 300.2043 184.2865 214.9299 556378.4049 0.8975 0.7632 PRESSURE: 3753800 -90.6521 17.1481 -126.767 17.1481 40.0149 -22.2708 -126.767 -22.2721 -76.4349 GPRESSURE: 3753800 -72.8723 -15.0911 -50.7511 130.293 116.018 -67.9977 -201.125 -23.3094 -80.6076 PRESSAVG: 3753800 27.312 -50.6031 -81.1843 -50.6031 -37.3351 -56.8226 -81.1843 -56.8225 18.5894 GPRESSAVG: 3753800 29.1492 -50.1746 -82.5952 -50.5703 -37.7791 -56.5812 -79.4653 -56.2609 17.4965 TIMING: 3753800 CPU: 11293.3, 0.00298616/step Wall: 11293.3, 0.00298616/step, 1.03371 hours remaining, 212.320312 MB of memory in use. ENERGY: 3753800 744.3212 2098.0731 1916.5804 113.0245 -205972.1761 17806.6266 0.0000 0.0000 34244.1116 -149049.4386 299.0623 -183293.5502 -148952.0107 299.9128 -42.3574 -12.4871 557836.9661 2.8555 2.9556 PRESSURE: 3754000 -164.982 55.516 59.6262 55.5161 -186.462 -111.13 59.6262 -111.13 -99.0104 GPRESSURE: 3754000 -142.586 -26.1224 99.7682 -4.76979 -136.547 -130.484 55.2916 -43.2458 -63.455 PRESSAVG: 3754000 -60.819 36.692 -1.41049 36.6921 56.7454 -4.07176 -1.41045 -4.07175 -36.7196 GPRESSAVG: 3754000 -62.0622 36.6079 -1.95099 36.613 59.5173 -5.88942 -0.258584 -6.01356 -38.074 TIMING: 3754000 CPU: 11293.9, 0.00295718/step Wall: 11293.9, 0.00295718/step, 1.02351 hours remaining, 212.320312 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: 3754000 759.5013 2119.6636 1958.4128 115.3959 -205875.3342 17629.8327 0.0000 0.0000 34264.2425 -149028.2854 299.2382 -183292.5279 -148926.8658 299.3124 -150.1515 -114.1959 559761.7134 -13.5977 -13.5396 PRESSURE: 3754200 -97.2258 61.6093 -132.925 61.6086 272.364 65.9248 -132.925 65.9241 -84.0149 GPRESSURE: 3754200 -76.1061 43.5074 -198.225 107.138 311.072 54.0216 -58.1752 90.8674 -49.8045 PRESSAVG: 3754200 -7.5719 -0.578085 -30.0549 -0.577955 -0.00577223 1.82454 -30.0549 1.82452 -27.9645 GPRESSAVG: 3754200 -7.1832 -0.866382 -28.7627 -2.95435 -2.10617 3.5986 -31.0914 3.25994 -26.7481 TIMING: 3754200 CPU: 11294.5, 0.00299373/step Wall: 11294.5, 0.00299373/step, 1.036 hours remaining, 212.511719 MB of memory in use. ENERGY: 3754200 748.6966 2080.0887 1937.4343 104.0738 -205998.3164 17726.0891 0.0000 0.0000 34198.7220 -149203.2120 298.6659 -183401.9340 -149098.4449 299.6909 30.3743 61.7204 556876.1723 -11.8474 -12.0125 PRESSURE: 3754400 -137.924 79.9305 68.605 79.9298 -19.7249 -20.0401 68.6048 -20.0408 106.037 GPRESSURE: 3754400 -105.745 103.279 105.2 147.241 49.1233 74.8023 -3.84283 -70.8729 89.2234 PRESSAVG: 3754400 14.5879 90.1583 18.4414 90.1584 24.107 20.0749 18.4414 20.075 1.10559 GPRESSAVG: 3754400 15.1357 91.1069 17.124 91.3945 24.4048 19.3298 18.8979 20.8886 0.269745 TIMING: 3754400 CPU: 11295.1, 0.00297951/step Wall: 11295.1, 0.00297951/step, 1.03091 hours remaining, 212.511719 MB of memory in use. ENERGY: 3754400 746.2099 2152.8423 1953.6808 110.2278 -206474.1903 17889.9665 0.0000 0.0000 34365.7120 -149255.5510 300.1243 -183621.2630 -149149.9288 299.0435 -17.2039 10.8672 557964.6225 13.2668 13.2701 PRESSURE: 3754600 -116.985 13.6423 -18.6286 13.6413 -145.748 63.7557 -18.6292 63.7558 -156.776 GPRESSURE: 3754600 -96.3912 -43.7932 49.8852 20.3858 -79.0915 18.1463 26.2316 82.3553 -140.084 PRESSAVG: 3754600 54.4468 21.8179 14.3866 21.8178 12.1917 45.9354 14.3867 45.9355 -20.4647 GPRESSAVG: 3754600 53.0386 20.3439 15.4782 21.1447 13.0676 45.4824 15.009 44.5735 -20.1852 TIMING: 3754600 CPU: 11295.7, 0.0029715/step Wall: 11295.7, 0.0029715/step, 1.02797 hours remaining, 212.714844 MB of memory in use. ENERGY: 3754600 751.8873 2100.1410 1930.8962 107.7328 -206131.8933 17748.9056 0.0000 0.0000 34154.9678 -149337.3625 298.2838 -183492.3303 -149240.5789 298.8611 -139.8365 -105.1890 558422.5275 15.3913 15.3070 PRESSURE: 3754800 -86.1266 -125.834 26.3938 -125.834 -54.0871 -117.746 26.3947 -117.744 73.8715 GPRESSURE: 3754800 -125.027 -60.696 67.3133 -104.181 10.0058 -118.742 -29.2101 -39.8531 123.734 PRESSAVG: 3754800 -32.7849 -17.2235 6.56659 -17.2234 -38.7616 23.533 6.56648 23.5331 74.9073 GPRESSAVG: 3754800 -30.0322 -15.79 3.62687 -18.276 -40.0602 24.1707 5.61054 24.6337 73.749 TIMING: 3754800 CPU: 11296.3, 0.00298106/step Wall: 11296.3, 0.00298106/step, 1.03112 hours remaining, 212.714844 MB of memory in use. ENERGY: 3754800 714.8942 2118.2699 1933.9518 119.8830 -206724.2055 18123.4701 0.0000 0.0000 34196.8872 -149516.8492 298.6499 -183713.7364 -149415.2710 298.0409 -22.1141 2.9044 558246.1744 1.1203 1.2188 PRESSURE: 3755000 -121.01 -51.667 -31.3345 -51.6668 -162.037 -142.748 -31.3356 -142.747 -59.5326 GPRESSURE: 3755000 -122.102 35.5781 19.7893 -67.5853 -129.737 -111.975 -49.409 -120.596 -7.90202 PRESSAVG: 3755000 -14.6139 -38.4318 35.5963 -38.4318 -41.1446 49.3658 35.5962 49.3658 26.9332 GPRESSAVG: 3755000 -16.3541 -38.5383 38.3696 -36.0263 -40.9752 49.9213 35.0227 49.5997 27.7769 TIMING: 3755000 CPU: 11296.9, 0.00296392/step Wall: 11296.9, 0.00296392/step, 1.02502 hours remaining, 212.714844 MB of memory in use. ENERGY: 3755000 765.7732 2085.6289 1916.8627 105.0613 -206144.5878 17663.2630 0.0000 0.0000 34160.7651 -149447.2337 298.3345 -183607.9988 -149358.6446 298.2530 -114.1930 -86.5804 558365.3795 -9.6084 -9.8508 PRESSURE: 3755200 -10.1742 120.954 45.2455 120.953 -33.5232 193.397 45.2454 193.397 -32.9524 GPRESSURE: 3755200 55.7029 109.786 109.448 68.6408 -28.3681 136.045 59.2512 240.976 -3.77413 PRESSAVG: 3755200 -32.4829 -0.562685 -4.50121 -0.562594 106.092 53.7431 -4.50122 53.7432 -29.8333 GPRESSAVG: 3755200 -31.8932 -0.970717 -5.39711 -3.10177 105.658 52.2242 -3.24269 54.1879 -30.0776 TIMING: 3755200 CPU: 11297.5, 0.00296742/step Wall: 11297.5, 0.00296742/step, 1.02607 hours remaining, 212.714844 MB of memory in use. ENERGY: 3755200 764.5873 2032.4663 1891.1305 115.3276 -206393.8746 17804.3817 0.0000 0.0000 34205.9685 -149580.0126 298.7292 -183785.9811 -149477.1640 298.8877 -25.5499 7.8536 557318.0689 14.5920 14.5625 PRESSURE: 3755400 170.082 -38.768 -8.38426 -38.7697 50.3278 -257.748 -8.38378 -257.748 153.858 GPRESSURE: 3755400 139.816 -63.9785 8.44304 2.12913 94.7182 -219.809 -6.32042 -273.363 230.608 PRESSAVG: 3755400 -86.6188 47.8612 -7.19136 47.8613 26.4215 10.0984 -7.19132 10.0984 60.9138 GPRESSAVG: 3755400 -87.9042 49.2802 -8.30187 47.3114 26.2969 12.177 -6.57291 11.2723 62.3233 TIMING: 3755400 CPU: 11298, 0.00296553/step Wall: 11298, 0.00296553/step, 1.02525 hours remaining, 212.714844 MB of memory in use. ENERGY: 3755400 777.4729 2127.7090 1934.4145 110.3005 -206836.9993 18247.6010 0.0000 0.0000 34195.8926 -149443.6088 298.6412 -183639.5014 -149354.1047 298.3546 124.7558 155.0475 558302.4082 0.2388 0.2386 PRESSURE: 3755600 150.287 -124.763 -167.158 -124.762 124.971 81.238 -167.158 81.2375 -53.7424 GPRESSURE: 3755600 224.637 -122.826 -164.626 -164.687 52.5645 -13.2102 -160.681 68.2921 49.7406 PRESSAVG: 3755600 20.1106 3.26995 -33.9745 3.27003 -61.769 -54.4411 -33.9745 -54.4412 -10.2619 GPRESSAVG: 3755600 20.6642 1.17293 -32.5293 6.65478 -62.1238 -55.9147 -35.921 -55.7734 -11.1643 TIMING: 3755600 CPU: 11298.7, 0.00302313/step Wall: 11298.7, 0.00302313/step, 1.045 hours remaining, 212.714844 MB of memory in use. ENERGY: 3755600 737.6735 2128.6790 1937.4895 114.1285 -206377.0710 18011.5717 0.0000 0.0000 34088.9585 -149358.5702 297.7074 -183447.5287 -149258.2772 298.3337 73.8386 108.9808 558591.9560 -17.3068 -17.5413 PRESSURE: 3755800 117.657 11.5352 40.8747 11.5355 -38.2418 -2.51288 40.875 -2.51313 -28.5206 GPRESSURE: 3755800 137.572 -6.23288 42.8245 49.1539 7.63331 -62.0942 -8.76069 19.0656 4.78474 PRESSAVG: 3755800 52.5187 2.16033 0.802164 2.16032 -57.1687 29.5833 0.802242 29.5831 35.8032 GPRESSAVG: 3755800 52.807 3.84247 -0.364202 -1.94384 -56.4466 30.2361 3.1386 30.1453 35.0433 TIMING: 3755800 CPU: 11299.2, 0.00297563/step Wall: 11299.2, 0.00297563/step, 1.02841 hours remaining, 212.714844 MB of memory in use. ENERGY: 3755800 698.2859 2120.0674 1971.8625 104.7337 -206056.5524 17528.4931 0.0000 0.0000 34308.9097 -149324.2002 299.6282 -183633.1099 -149231.1097 299.5447 16.9649 49.9965 556898.7857 10.3844 10.4679 PRESSURE: 3756000 -119.563 -34.7516 -14.9342 -34.7522 46.0866 60.0561 -14.9346 60.0565 -163.951 GPRESSURE: 3756000 -92.484 -13.3928 -28.2137 -57.8109 65.4161 -71.2963 33.2334 94.3388 -116.742 PRESSAVG: 3756000 -29.7637 12.2173 -0.685362 12.2173 73.2256 52.4283 -0.685331 52.4283 -33.7721 GPRESSAVG: 3756000 -29.0657 11.8523 -0.663016 14.6033 71.5619 52.271 -1.61265 52.5049 -33.0637 TIMING: 3756000 CPU: 11299.8, 0.00297401/step Wall: 11299.8, 0.00297401/step, 1.02769 hours remaining, 212.714844 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: 3756000 724.8476 2057.8137 1955.3833 118.0003 -205886.8390 17578.2387 0.0000 0.0000 34076.8440 -149375.7114 297.6016 -183452.5554 -149281.8176 298.9912 -79.1426 -47.9365 557786.4550 3.2299 3.1441 PRESSURE: 3756200 -123.373 2.13055 -83.635 2.13079 -245.447 -36.6168 -83.6352 -36.618 -293.395 GPRESSURE: 3756200 -101.66 -3.35853 -47.2975 15.0262 -193.016 -109.3 -122.685 -21.4348 -261.124 PRESSAVG: 3756200 -26.3003 17.167 35.3276 17.1669 52.7478 -19.1497 35.3275 -19.1496 6.64243 GPRESSAVG: 3756200 -28.2105 15.9867 36.1904 17.0991 54.4092 -21.2603 36.6781 -19.7271 7.00768 TIMING: 3756200 CPU: 11300.4, 0.00298793/step Wall: 11300.4, 0.00298793/step, 1.03233 hours remaining, 212.714844 MB of memory in use. ENERGY: 3756200 750.4180 2080.6638 1952.4325 129.2730 -206052.9746 17507.4573 0.0000 0.0000 34237.7309 -149394.9991 299.0066 -183632.7299 -149292.3499 298.9678 -220.7382 -185.2669 558859.7226 11.0300 11.0688 LDB: ============= START OF LOAD BALANCING ============== 11304 LDB: ============== END OF LOAD BALANCING =============== 11304 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11304 LDB: ============= START OF LOAD BALANCING ============== 11304.3 LDB: Largest compute 4802 load 0.030608 is 25.9% of average load 0.118207 LDB: Average compute 0.001708 is 1.4% of average load 0.118207 LDB: TIME 11304.3 LOAD: AVG 0.118207 MAX 0.208516 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.758 MB LDB: TIME 11304.3 LOAD: AVG 0.118207 MAX 0.208516 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.816 MB LDB: TIME 11304.3 LOAD: AVG 0.118207 MAX 0.208516 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.816 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11304.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11304.3 PRESSURE: 3756400 -216.951 54.2092 -41.1037 54.2095 -37.4775 122.25 -41.1024 122.251 -198.602 GPRESSURE: 3756400 -161.22 105.986 17.4592 -6.20961 -82.6861 139.256 -11.4088 78.2719 -112.519 PRESSAVG: 3756400 1.59976 25.0371 33.9745 25.0371 27.874 31.4235 33.9747 31.4234 -22.9603 GPRESSAVG: 3756400 2.98413 24.749 35.264 25.356 27.7225 31.7622 28.9632 31.9767 -24.0626 TIMING: 3756400 CPU: 11301, 0.00303193/step Wall: 11301, 0.00303193/step, 1.04736 hours remaining, 211.312500 MB of memory in use. ENERGY: 3756400 741.3231 2134.5217 1923.1715 103.5247 -205716.5521 17526.6905 0.0000 0.0000 33941.3024 -149346.0182 296.4178 -183287.3206 -149248.5790 298.8456 -151.0100 -118.8084 559086.4037 2.1712 2.2147 PRESSURE: 3756600 -72.3736 73.2615 -77.8134 73.2625 -124.393 89.9509 -77.815 89.9515 33.6472 GPRESSURE: 3756600 -57.8598 -30.8957 -103.501 62.6723 -91.289 118.722 -109.637 31.5451 80.8455 PRESSAVG: 3756600 35.5115 26.7612 -29.6847 26.7612 5.41849 0.598666 -29.6848 0.598779 -23.9398 GPRESSAVG: 3756600 35.7521 25.6569 -27.7676 29.23 4.67739 0.879746 -28.4983 1.27422 -23.1624 TIMING: 3756600 CPU: 11301.6, 0.00298435/step Wall: 11301.6, 0.00298435/step, 1.03076 hours remaining, 211.773438 MB of memory in use. ENERGY: 3756600 744.8518 2084.4129 1928.5518 109.2102 -206311.8237 17989.9057 0.0000 0.0000 34119.1942 -149335.6972 297.9714 -183454.8913 -149236.0079 299.2157 -54.3732 -22.7678 559238.2504 5.6634 5.7557 PRESSURE: 3756800 -192.174 73.5453 -79.528 73.5472 -202.833 136.713 -79.5286 136.715 -137.184 GPRESSURE: 3756800 -112.179 106.266 -97.1531 38.746 -204.53 64.1157 -47.617 169.355 -115.602 PRESSAVG: 3756800 12.688 -70.5078 -10.0395 -70.5078 28.2972 5.28282 -10.0395 5.28277 -58.1937 GPRESSAVG: 3756800 13.7101 -67.0924 -14.5024 -73.783 28.717 8.79323 -5.886 3.12294 -59.266 TIMING: 3756800 CPU: 11302.2, 0.00297865/step Wall: 11302.2, 0.00297865/step, 1.02863 hours remaining, 211.773438 MB of memory in use. ENERGY: 3756800 721.0228 2094.3117 1946.3099 121.8590 -206090.1702 17667.0875 0.0000 0.0000 34209.6700 -149329.9093 298.7616 -183539.5793 -149230.8739 298.7006 -177.3968 -144.1035 559354.4324 -5.7362 -5.6130 PRESSURE: 3757000 -229.088 213.629 9.33332 213.63 -263.58 -44.9709 9.33289 -44.9707 -104.243 GPRESSURE: 3757000 -203.809 189.452 0.966196 213.525 -192.203 -106.967 9.60914 -14.2851 -97.5636 PRESSAVG: 3757000 9.61109 -27.8364 -11.7329 -27.8363 13.3176 -16.8723 -11.7329 -16.8723 5.21038 GPRESSAVG: 3757000 10.0659 -29.8485 -11.6629 -26.1652 13.2904 -19.4703 -13.2228 -16.0095 4.67882 TIMING: 3757000 CPU: 11302.8, 0.00298247/step Wall: 11302.8, 0.00298247/step, 1.02978 hours remaining, 211.773438 MB of memory in use. ENERGY: 3757000 759.6688 2016.7420 1926.3772 104.0272 -205730.2447 17529.2255 0.0000 0.0000 33906.5748 -149487.6292 296.1146 -183394.2040 -149387.6489 298.4981 -198.9703 -164.5250 558892.1956 9.3797 9.3451 PRESSURE: 3757200 2.7687 67.4876 -79.1814 67.4874 -203.481 -149.758 -79.182 -149.758 -108.423 GPRESSURE: 3757200 -42.979 129.533 -130.144 36.1253 -99.784 -87.7777 -12.1882 -129.361 -60.8385 PRESSAVG: 3757200 3.57351 4.7009 0.19817 4.70077 13.5577 -70.5029 0.198154 -70.5029 -26.4029 GPRESSAVG: 3757200 2.51467 5.44441 1.49763 2.40404 13.6806 -69.2166 -1.02732 -70.4118 -25.4864 TIMING: 3757200 CPU: 11303.4, 0.00298035/step Wall: 11303.4, 0.00298035/step, 1.02888 hours remaining, 211.773438 MB of memory in use. ENERGY: 3757200 766.3826 2099.1527 1930.6582 95.2204 -206213.8208 17543.6640 0.0000 0.0000 34196.0343 -149582.7085 298.6425 -183778.7429 -149481.7346 298.4386 -103.0450 -67.8672 556674.0918 -3.0906 -3.0970 PRESSURE: 3757400 -107.884 35.3877 53.7173 35.3878 -307.644 54.3274 53.7169 54.3271 416.219 GPRESSURE: 3757400 -104.818 -0.788904 28.6548 96.3294 -252.627 -16.5003 -3.91349 112.48 446.003 PRESSAVG: 3757400 25.8514 7.09303 -15.0692 7.09297 -34.6145 -36.2858 -15.0691 -36.2857 45.353 GPRESSAVG: 3757400 26.462 8.08387 -12.8671 6.80693 -36.0605 -35.7409 -15.5596 -37.8113 45.7886 TIMING: 3757400 CPU: 11304, 0.00298662/step Wall: 11304, 0.00298662/step, 1.03088 hours remaining, 211.773438 MB of memory in use. ENERGY: 3757400 712.9694 2075.1258 1974.0774 115.7499 -206335.1992 17752.3071 0.0000 0.0000 34097.4674 -149607.5022 297.7817 -183704.9696 -149513.3323 298.2020 0.2300 29.5192 555013.6928 12.1966 12.0634 PRESSURE: 3757600 149.991 -64.5411 -86.1672 -64.5413 3.13716 -185.203 -86.168 -185.205 -270.702 GPRESSURE: 3757600 157.099 -94.7401 -42.1445 -64.5539 65.315 -199.271 -202.828 -186.836 -251.858 PRESSAVG: 3757600 65.3315 -4.03095 37.1412 -4.03102 -73.3689 -35.3809 37.1412 -35.381 19.4678 GPRESSAVG: 3757600 64.849 -5.83144 36.3828 -2.41489 -71.5331 -36.2215 37.4696 -35.7403 18.3755 TIMING: 3757600 CPU: 11304.6, 0.00297687/step Wall: 11304.6, 0.00297687/step, 1.02735 hours remaining, 212.035156 MB of memory in use. ENERGY: 3757600 730.6670 2037.0997 1961.8644 109.4989 -206337.2282 17682.9736 0.0000 0.0000 34318.2838 -149496.8409 299.7101 -183815.1248 -149398.6320 298.4649 -39.1913 -9.8146 554861.7942 3.8101 3.8971 PRESSURE: 3757800 164.939 -93.304 -114.473 -93.3048 -162.157 21.0508 -114.473 21.0477 233.528 GPRESSURE: 3757800 177.03 -65.5995 -82.6164 -151.202 -87.5039 70.2211 -154.334 49.8121 250.022 PRESSAVG: 3757800 27.0752 -31.4618 -62.4317 -31.4618 -8.16408 2.06024 -62.4316 2.06019 -28.9197 GPRESSAVG: 3757800 28.0888 -28.1117 -62.5742 -33.0172 -10.1511 1.50171 -63.1884 2.4895 -28.3658 TIMING: 3757800 CPU: 11305.2, 0.00296794/step Wall: 11305.2, 0.00296794/step, 1.02411 hours remaining, 212.035156 MB of memory in use. ENERGY: 3757800 755.9736 2038.1967 1949.4691 117.1152 -206427.4832 17793.1777 0.0000 0.0000 34167.2312 -149606.3197 298.3909 -183773.5509 -149512.6992 298.4761 78.7701 113.1828 554629.9869 -3.3362 -3.4760 PRESSURE: 3758000 -95.4704 126.389 -275.586 126.389 454.624 64.1761 -275.586 64.177 59.0825 GPRESSURE: 3758000 -10.5505 141.358 -285.16 68.4939 459.407 28.9233 -324.479 103.736 73.3887 PRESSAVG: 3758000 7.73538 32.4536 -52.3721 32.4536 13.5059 88.8298 -52.3721 88.8299 -19.1009 GPRESSAVG: 3758000 7.18596 29.2286 -51.6343 32.8045 14.3613 91.0109 -52.6231 89.9783 -18.854 TIMING: 3758000 CPU: 11305.8, 0.00296707/step Wall: 11305.8, 0.00296707/step, 1.02364 hours remaining, 212.035156 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: 3758000 739.6238 2030.7065 1936.4663 110.1527 -206678.2203 18107.1837 0.0000 0.0000 34340.8177 -149413.2695 299.9069 -183754.0872 -149318.8452 298.2438 139.4119 174.0818 555665.1793 0.7135 0.8978 PRESSURE: 3758200 -35.5354 -19.5439 37.9597 -19.5432 160.182 -177.191 37.9594 -177.191 218.442 GPRESSURE: 3758200 53.695 -71.728 -0.629488 -28.5767 190.47 -174.765 18.6651 -47.9991 191.482 PRESSAVG: 3758200 -0.417422 74.8736 -29.774 74.8736 -40.4824 -29.2405 -29.7739 -29.2406 31.4518 GPRESSAVG: 3758200 -1.48348 75.9419 -30.8772 75.6358 -40.351 -27.7078 -29.522 -28.0801 32.3643 TIMING: 3758200 CPU: 11306.4, 0.00297379/step Wall: 11306.4, 0.00297379/step, 1.02579 hours remaining, 212.035156 MB of memory in use. ENERGY: 3758200 707.8506 2023.5321 1971.1651 119.7321 -206371.8412 17731.1528 0.0000 0.0000 34326.5585 -149491.8500 299.7824 -183818.4085 -149394.8354 298.4800 114.3629 145.2156 553648.2961 -3.1493 -3.1567 PRESSURE: 3758400 293.79 10.3787 47.2657 10.3782 179.485 0.787858 47.2643 0.789843 -144.832 GPRESSURE: 3758400 362.864 43.9785 6.8614 -23.52 201.953 -41.2622 -15.3415 16.7073 -136.706 PRESSAVG: 3758400 66.5828 25.5844 -3.40337 25.5844 -27.6354 -11.714 -3.40329 -11.7139 -49.0969 GPRESSAVG: 3758400 67.0986 25.604 -3.25829 24.7068 -26.7238 -13.114 -2.55852 -13.5137 -49.8702 TIMING: 3758400 CPU: 11307, 0.00296901/step Wall: 11307, 0.00296901/step, 1.02398 hours remaining, 212.046875 MB of memory in use. ENERGY: 3758400 721.8828 2037.3870 1956.9233 103.0567 -206758.9080 18109.3972 0.0000 0.0000 34287.3527 -149542.9082 299.4400 -183830.2610 -149446.1491 298.4530 109.4811 142.7039 555536.8334 -3.3832 -3.1651 PRESSURE: 3758600 37.7095 92.4119 -95.163 92.4124 68.9955 12.2011 -95.1636 12.1997 51.9673 GPRESSURE: 3758600 95.6889 32.4374 -59.5515 118.784 111.723 -2.10876 -84.5163 -9.29402 54.9069 PRESSAVG: 3758600 56.7531 49.9359 -29.9999 49.9359 -76.9861 18.5502 -29.9999 18.5501 57.9014 GPRESSAVG: 3758600 57.0821 49.3178 -30.3342 50.5916 -76.8404 17.0764 -29.8404 20.2132 57.8306 TIMING: 3758600 CPU: 11307.6, 0.0029967/step Wall: 11307.6, 0.0029967/step, 1.03336 hours remaining, 212.046875 MB of memory in use. ENERGY: 3758600 746.8506 2073.0595 1946.9161 118.0136 -206589.9307 17915.4952 0.0000 0.0000 34237.9617 -149551.6341 299.0086 -183789.5958 -149454.5666 299.2649 52.8908 87.4397 554370.4159 12.5562 12.6908 PRESSURE: 3758800 -21.7045 -145.013 156.943 -145.013 -117.268 39.6809 156.944 39.6808 -200.587 GPRESSURE: 3758800 36.4859 -82.1708 142.885 -208.404 -69.5146 -21.2713 195.132 -14.1691 -211.459 PRESSAVG: 3758800 -0.930023 6.37267 1.14079 6.37264 5.33448 51.77 1.14081 51.7699 35.1963 GPRESSAVG: 3758800 -0.794639 6.49926 2.09128 5.21582 5.52549 51.2745 2.25557 51.0739 34.8164 TIMING: 3758800 CPU: 11308.2, 0.00301767/step Wall: 11308.2, 0.00301767/step, 1.04043 hours remaining, 212.046875 MB of memory in use. ENERGY: 3758800 726.6243 2061.5610 1959.0811 101.4655 -206269.2500 17743.1302 0.0000 0.0000 34118.2473 -149559.1407 297.9631 -183677.3879 -149467.4505 298.8066 -113.1864 -81.4960 556821.4746 13.2002 13.1824 PRESSURE: 3759000 43.4138 -105.569 -56.6008 -105.568 34.6659 61.9454 -56.6 61.9466 -239.121 GPRESSURE: 3759000 67.5993 -81.2715 -57.6192 -102.109 45.9911 92.9801 -83.991 -7.1064 -173.62 PRESSAVG: 3759000 28.7899 -12.9481 -11.7284 -12.9481 -14.8973 -39.0802 -11.7285 -39.0801 -27.5267 GPRESSAVG: 3759000 28.3307 -13.7652 -11.5672 -13.1693 -15.2749 -37.5978 -11.4605 -38.8185 -26.5307 TIMING: 3759000 CPU: 11308.8, 0.00302898/step Wall: 11308.8, 0.00302898/step, 1.04416 hours remaining, 212.046875 MB of memory in use. ENERGY: 3759000 731.1071 2066.2870 1965.2830 110.7117 -206294.6420 17782.9550 0.0000 0.0000 34157.3944 -149480.9038 298.3050 -183638.2982 -149384.4852 298.3807 -53.6806 -20.0099 556224.4792 -4.5447 -4.4916 PRESSURE: 3759200 -512.356 15.4109 17.9234 15.4104 -295.271 24.196 17.9219 24.1953 -318.941 GPRESSURE: 3759200 -507.924 -31.3102 22.5194 38.6055 -205.901 72.3497 -32.0133 96.3528 -317.549 PRESSAVG: 3759200 7.89781 39.5069 23.466 39.5069 5.64783 -17.6103 23.4661 -17.6104 -22.9103 GPRESSAVG: 3759200 8.46302 41.2362 23.5445 38.7369 5.66535 -16.6643 21.4825 -16.7412 -24.0522 TIMING: 3759200 CPU: 11309.4, 0.00297453/step Wall: 11309.4, 0.00297453/step, 1.02522 hours remaining, 212.046875 MB of memory in use. ENERGY: 3759200 743.3712 2092.7661 1967.2003 120.0919 -205951.2404 17467.3497 0.0000 0.0000 34145.1811 -149415.2801 298.1984 -183560.4612 -149320.2422 298.7474 -375.5228 -343.7913 558570.2996 -3.1215 -3.3080 PRESSURE: 3759400 -165.33 110.85 -143.24 110.85 -299.697 -50.7828 -143.239 -50.783 62.9046 GPRESSURE: 3759400 -62.8679 130.203 -221.661 110.335 -312.262 56.4159 -96.9757 -126.779 66.5347 PRESSAVG: 3759400 9.60199 59.1429 0.589226 59.143 11.4561 52.6131 0.589341 52.6131 -9.95699 GPRESSAVG: 3759400 10.1397 57.1794 0.713426 61.0565 10.7799 49.8626 0.23758 51.8472 -9.63531 TIMING: 3759400 CPU: 11310, 0.00295926/step Wall: 11310, 0.00295926/step, 1.01979 hours remaining, 212.046875 MB of memory in use. ENERGY: 3759400 724.2899 2106.4124 1943.7439 108.7572 -205989.6714 17629.2499 0.0000 0.0000 34153.8667 -149323.3514 298.2742 -183477.2181 -149230.6716 298.8082 -134.0408 -102.8649 558195.9346 3.7004 3.7614 PRESSURE: 3759600 -242.067 -142.615 96.9749 -142.617 274.119 34.7085 96.9752 34.7099 85.5027 GPRESSURE: 3759600 -232.152 -134.9 65.5758 -113.183 340.452 8.55383 103.431 -2.84648 115.6 PRESSAVG: 3759600 34.2148 -52.8892 -10.2894 -52.8893 -6.12868 43.5914 -10.2894 43.5913 1.6172 GPRESSAVG: 3759600 33.1043 -51.7317 -9.16846 -54.0184 -5.61658 44.2003 -9.19357 44.5871 2.33314 TIMING: 3759600 CPU: 11310.6, 0.00295401/step Wall: 11310.6, 0.00295401/step, 1.01782 hours remaining, 212.046875 MB of memory in use. ENERGY: 3759600 714.9511 2064.9683 1944.4281 120.3680 -206419.6502 17994.9929 0.0000 0.0000 34361.0738 -149218.8680 300.0838 -183579.9419 -149130.0482 299.4957 39.1850 74.6333 557920.7855 9.9011 9.9403 PRESSURE: 3759800 -97.3831 -48.6222 -202.645 -48.6212 -109.768 -24.6658 -202.645 -24.6675 1.14258 GPRESSURE: 3759800 -114.793 -133.371 -126.721 9.33876 -29.7963 10.5729 -290.321 -109.395 28.8431 PRESSAVG: 3759800 29.4649 -47.8571 2.03053 -47.857 -13.9308 -17.5099 2.03049 -17.5099 -3.55592 GPRESSAVG: 3759800 29.5012 -49.6494 0.0491204 -46.3967 -14.1695 -16.7858 0.644392 -18.1076 -3.47974 TIMING: 3759800 CPU: 11311.2, 0.0029727/step Wall: 11311.2, 0.0029727/step, 1.02409 hours remaining, 212.046875 MB of memory in use. ENERGY: 3759800 739.1911 2078.1344 1953.9739 118.0604 -206467.3650 17850.1444 0.0000 0.0000 34463.2203 -149264.6405 300.9759 -183727.8609 -149168.4534 299.6978 -68.6695 -38.5821 556728.0983 3.9927 3.9506 PRESSURE: 3760000 28.2194 101.97 -33.4783 101.97 -58.5385 29.3796 -33.4777 29.3784 -77.594 GPRESSURE: 3760000 23.0603 82.3135 -79.3216 87.1269 -15.6204 49.6407 120.99 83.0926 -20.7071 PRESSAVG: 3760000 -23.1428 -27.0677 -7.68326 -27.0677 -27.2193 -24.8394 -7.68331 -24.8395 39.5949 GPRESSAVG: 3760000 -22.9116 -24.4829 -8.66367 -29.5046 -26.1378 -25.5299 -5.12889 -23.8739 38.99 TIMING: 3760000 CPU: 11311.8, 0.00296691/step Wall: 11311.8, 0.00296691/step, 1.02193 hours remaining, 212.046875 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: 3760000 734.3006 2124.4669 1933.6017 112.3035 -206113.7104 17757.2344 0.0000 0.0000 34227.6933 -149224.1099 298.9190 -183451.8032 -149133.6985 299.5880 -35.9710 -4.4224 557150.9017 -3.5891 -3.3531 PRESSURE: 3760200 171.636 3.68319 -44.072 3.68443 345.717 -1.78604 -44.0716 -1.78632 -182.017 GPRESSURE: 3760200 180.513 -25.3902 -6.65995 74.4082 327.724 -15.7931 31.2694 -24.6238 -74.7052 PRESSAVG: 3760200 -27.5582 -17.9412 36.6729 -17.9412 24.6409 -12.4375 36.6729 -12.4374 -22.2739 GPRESSAVG: 3760200 -27.2514 -17.6353 38.2597 -17.6184 24.1751 -11.8143 35.1354 -14.1995 -21.6901 TIMING: 3760200 CPU: 11312.4, 0.00301819/step Wall: 11312.4, 0.00301819/step, 1.03943 hours remaining, 212.046875 MB of memory in use. ENERGY: 3760200 751.5603 2095.1987 1918.6669 114.3013 -206587.3310 18188.8055 0.0000 0.0000 34270.1774 -149248.6207 299.2900 -183518.7981 -149153.1716 299.3046 111.7789 144.5107 557134.0264 -8.3971 -8.2555 LDB: ============= START OF LOAD BALANCING ============== 11315.9 LDB: ============== END OF LOAD BALANCING =============== 11315.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11315.9 LDB: ============= START OF LOAD BALANCING ============== 11316.2 LDB: Largest compute 4802 load 0.030386 is 25.7% of average load 0.118237 LDB: Average compute 0.001704 is 1.4% of average load 0.118237 LDB: TIME 11316.2 LOAD: AVG 0.118237 MAX 0.211727 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.969 MB LDB: TIME 11316.2 LOAD: AVG 0.118237 MAX 0.211727 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.039 MB LDB: TIME 11316.2 LOAD: AVG 0.118237 MAX 0.211727 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.039 MB LDB: ============== END OF LOAD BALANCING =============== 11316.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11316.2 PRESSURE: 3760400 33.2545 -18.8981 111.381 -18.8988 -99.841 -10.364 111.383 -10.3635 -284.454 GPRESSURE: 3760400 88.8403 45.9527 114.661 -0.240441 -115.43 118.498 94.8859 -34.3142 -235.364 PRESSAVG: 3760400 45.8797 -15.1695 7.04301 -15.1694 16.5488 -56.3088 7.04309 -56.3088 -23.0172 GPRESSAVG: 3760400 46.0643 -14.6853 5.50951 -14.3559 16.0016 -54.6771 7.4325 -57.576 -23.2491 TIMING: 3760400 CPU: 11313, 0.00307755/step Wall: 11313, 0.00307755/step, 1.0597 hours remaining, 209.093750 MB of memory in use. ENERGY: 3760400 742.7812 2128.6727 1930.6120 126.6160 -206173.6677 17744.7590 0.0000 0.0000 34206.3924 -149293.8345 298.7329 -183500.2268 -149201.3334 299.5526 -117.0135 -87.3180 558695.7242 13.1371 12.9389 PRESSURE: 3760600 -24.1705 -7.02245 113.415 -7.02379 24.2173 107.925 113.416 107.926 236.273 GPRESSURE: 3760600 -43.6559 83.6686 122.51 -70.53 82.3605 109.842 101.611 116.465 291.426 PRESSAVG: 3760600 -19.9422 6.75569 53.2716 6.75563 12.0681 -23.888 53.2716 -23.888 -18.1156 GPRESSAVG: 3760600 -20.7275 6.60055 53.9302 7.45464 12.8318 -24.769 53.9403 -24.8642 -17.7552 TIMING: 3760600 CPU: 11313.6, 0.00297294/step Wall: 11313.6, 0.00297294/step, 1.02352 hours remaining, 209.144531 MB of memory in use. ENERGY: 3760600 752.4488 2156.5005 1937.9174 114.1930 -206383.5021 17975.9657 0.0000 0.0000 34126.4836 -149319.9930 298.0351 -183446.4766 -149228.1334 299.7276 78.7733 110.0436 558150.4117 -8.6632 -8.5503 PRESSURE: 3760800 82.3368 60.0835 -91.7292 60.0828 23.1955 -9.95661 -91.7297 -9.9566 52.0753 GPRESSURE: 3760800 105.461 64.5862 -55.3279 66.9924 76.2149 19.0936 -32.7097 29.5299 79.8351 PRESSAVG: 3760800 32.8609 14.9891 7.45144 14.9891 -42.918 -6.32509 7.45139 -6.3252 21.9281 GPRESSAVG: 3760800 33.2996 13.8489 8.78496 13.4066 -43.202 -6.10943 6.22319 -2.53101 22.0818 TIMING: 3760800 CPU: 11314.2, 0.00295224/step Wall: 11314.2, 0.00295224/step, 1.01623 hours remaining, 209.144531 MB of memory in use. ENERGY: 3760800 702.3277 2048.2003 1946.5777 103.1041 -206533.1669 17942.6583 0.0000 0.0000 34346.3913 -149443.9075 299.9556 -183790.2988 -149344.2587 298.3793 52.5359 87.1705 557271.4127 3.9570 4.0598 PRESSURE: 3761000 -75.1407 165.137 -85.5764 165.138 -66.8078 117.478 -85.5769 117.479 -10.2326 GPRESSURE: 3761000 -78.9524 83.1658 -113.178 96.5626 -17.2805 185.899 -33.5817 147.668 49.9738 PRESSAVG: 3761000 -1.9204 11.6783 -14.8701 11.6783 30.2132 40.9853 -14.8701 40.9852 -21.4948 GPRESSAVG: 3761000 -1.96977 11.1765 -16.6251 14.4184 31.4774 39.1731 -14.524 39.3466 -22.8608 TIMING: 3761000 CPU: 11314.8, 0.0029799/step Wall: 11314.8, 0.0029799/step, 1.02558 hours remaining, 209.144531 MB of memory in use. ENERGY: 3761000 772.3843 2098.4191 1976.4238 113.5556 -206361.3155 17681.1435 0.0000 0.0000 34217.0466 -149502.3427 298.8260 -183719.3893 -149402.4117 298.1102 -50.7270 -15.4197 556673.2739 2.2660 2.2156 PRESSURE: 3761200 -55.7809 62.5126 182.478 62.5136 89.6658 -15.6573 182.479 -15.6587 56.8877 GPRESSURE: 3761200 -4.83354 120.641 174.158 -16.1179 105.443 19.6846 73.9769 20.7236 89.606 PRESSAVG: 3761200 -21.7899 13.8459 3.26696 13.846 22.2361 11.5806 3.26697 11.5805 -7.98076 GPRESSAVG: 3761200 -21.2723 17.2174 4.7922 11.4437 21.1668 12.0037 4.83185 10.604 -7.88108 TIMING: 3761200 CPU: 11315.4, 0.00297695/step Wall: 11315.4, 0.00297695/step, 1.0244 hours remaining, 209.144531 MB of memory in use. ENERGY: 3761200 755.6730 2106.0845 1964.0870 95.8778 -206203.0336 17778.7336 0.0000 0.0000 34062.9704 -149439.6074 297.4804 -183502.5778 -149344.1113 298.3992 30.2575 63.4052 556287.3378 -2.5115 -2.6622 PRESSURE: 3761400 -138.878 21.0754 31.7374 21.0758 94.1213 55.1976 31.7375 55.1985 -105.646 GPRESSURE: 3761400 -111.083 45.8687 104.022 -17.3994 70.3261 69.6541 -39.33 80.2078 -18.432 PRESSAVG: 3761400 -29.2761 18.0272 8.14388 18.0272 24.067 2.14322 8.14384 2.14311 -20.5435 GPRESSAVG: 3761400 -30.7539 16.4799 7.25015 19.7034 24.1971 0.352998 8.0336 3.72616 -19.1968 TIMING: 3761400 CPU: 11316, 0.00298158/step Wall: 11316, 0.00298158/step, 1.02583 hours remaining, 209.144531 MB of memory in use. ENERGY: 3761400 729.4019 2083.0039 1959.7533 106.6527 -206015.3355 17516.8822 0.0000 0.0000 34260.2649 -149359.3767 299.2034 -183619.6416 -149261.2878 298.7245 -50.1342 -19.7295 555954.5245 -8.5842 -8.5845 PRESSURE: 3761600 -179.111 50.1896 46.7104 50.1906 31.4811 59.532 46.71 59.5315 -25.6009 GPRESSURE: 3761600 -114.139 21.104 66.7336 86.4072 53.2909 97.3696 -20.6224 -10.5534 -17.0841 PRESSAVG: 3761600 -47.9978 2.00016 -43.2076 2.00025 12.692 -2.99371 -43.2075 -2.99377 50.5338 GPRESSAVG: 3761600 -47.4464 1.2272 -43.4123 1.11188 12.9132 -1.23904 -44.1988 -3.72324 49.5315 TIMING: 3761600 CPU: 11316.6, 0.00299058/step Wall: 11316.6, 0.00299058/step, 1.02876 hours remaining, 209.144531 MB of memory in use. ENERGY: 3761600 784.4642 2052.1209 1961.9961 111.5515 -206212.9811 17832.3092 0.0000 0.0000 34191.4996 -149279.0396 298.6029 -183470.5392 -149186.8600 298.3323 -57.7435 -25.9773 555593.6859 5.0760 4.9994 PRESSURE: 3761800 -206.709 103.439 20.8209 103.439 17.6132 63.8201 20.8202 63.8199 16.925 GPRESSURE: 3761800 -191.989 122.696 -17.8 23.8932 81.3121 -1.97201 54.9207 79.9115 21.2923 PRESSAVG: 3761800 -19.0702 -39.2893 30.1502 -39.2893 49.5905 -16.0303 30.1502 -16.0303 42.3724 GPRESSAVG: 3761800 -19.0628 -40.1781 30.4041 -39.3757 50.0845 -17.753 28.9637 -15.4927 41.9617 TIMING: 3761800 CPU: 11317.2, 0.00297337/step Wall: 11317.2, 0.00297337/step, 1.02267 hours remaining, 209.144531 MB of memory in use. ENERGY: 3761800 746.1229 2076.1769 1969.7344 132.3157 -206303.3764 17787.7812 0.0000 0.0000 34219.5725 -149371.6729 298.8480 -183591.2454 -149269.1011 299.3216 -57.3903 -29.7950 556571.4367 24.2976 24.3278 PRESSURE: 3762000 -196.943 39.8495 -46.2944 39.8479 -270.92 50.1513 -46.2957 50.1523 124.372 GPRESSURE: 3762000 -148.218 7.03847 70.5003 71.678 -211.471 165.038 -80.3259 80.4681 125.162 PRESSAVG: 3762000 -34.2997 37.5018 64.8501 37.5017 -3.539 32.5772 64.85 32.5772 15.6597 GPRESSAVG: 3762000 -32.8801 37.2504 66.6017 38.7173 -3.85226 33.7289 65.3233 33.5013 14.3121 TIMING: 3762000 CPU: 11317.8, 0.00296196/step Wall: 11317.8, 0.00296196/step, 1.01859 hours remaining, 209.347656 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: 3762000 740.6853 2076.7846 1953.0047 114.4732 -206319.5501 17719.8663 0.0000 0.0000 34271.2838 -149443.4521 299.2996 -183714.7359 -149351.8494 299.0767 -114.4970 -78.1757 556263.7254 -7.3930 -7.4734 PRESSURE: 3762200 79.0498 -196.868 93.7196 -196.867 -174.013 8.60588 93.7187 8.60498 20.5992 GPRESSURE: 3762200 138.247 -272.956 36.1454 -93.3243 -190.947 -21.5684 78.9607 92.9879 86.6115 PRESSAVG: 3762200 -38.5685 14.9381 59.2235 14.938 32.0156 -56.1629 59.2235 -56.1628 -8.80087 GPRESSAVG: 3762200 -40.5618 15.6369 59.0969 13.0455 32.3287 -54.5411 60.0069 -57.4999 -7.22435 TIMING: 3762200 CPU: 11318.3, 0.00296191/step Wall: 11318.3, 0.00296191/step, 1.0184 hours remaining, 209.347656 MB of memory in use. ENERGY: 3762200 778.5914 2045.7320 1938.4123 115.0316 -206253.0337 17795.4812 0.0000 0.0000 34358.4511 -149221.3341 300.0609 -183579.7851 -149125.6557 299.1556 -24.7879 11.3039 556675.3554 -5.1179 -5.1525 PRESSURE: 3762400 28.1097 -115.663 95.7999 -115.662 -74.9572 -36.7546 95.8012 -36.7541 -217.441 GPRESSURE: 3762400 100.647 -101.45 152.34 -197.025 -90.0394 -70.2584 67.161 -43.7643 -162.183 PRESSAVG: 3762400 -5.04955 -32.6902 56.3163 -32.6902 -17.9113 38.5892 56.3163 38.5893 41.5095 GPRESSAVG: 3762400 -3.39689 -33.5471 54.8009 -32.5687 -19.1363 38.996 57.3726 38.3242 41.36 TIMING: 3762400 CPU: 11318.9, 0.00297705/step Wall: 11318.9, 0.00297705/step, 1.02344 hours remaining, 209.347656 MB of memory in use. ENERGY: 3762400 778.9674 2056.0941 1944.4965 117.3893 -206314.5995 17821.3013 0.0000 0.0000 34299.6445 -149296.7065 299.5473 -183596.3510 -149196.6246 299.4469 -88.0962 -50.5252 558518.7341 6.1829 6.2756 PRESSURE: 3762600 -114.202 -52.5334 -141.059 -52.5342 170.554 182.389 -141.059 182.39 93.1154 GPRESSURE: 3762600 -65.3574 -36.9214 -169.643 -38.3548 157.056 117.234 -76.6797 269.522 153.66 PRESSAVG: 3762600 4.62187 16.2937 43.4349 16.2937 -71.6967 67.8887 43.435 67.8887 51.1184 GPRESSAVG: 3762600 3.5439 16.3645 43.2843 18.2966 -71.6714 66.4066 43.4798 68.8443 51.9527 TIMING: 3762600 CPU: 11319.5, 0.00297207/step Wall: 11319.5, 0.00297207/step, 1.02157 hours remaining, 209.347656 MB of memory in use. ENERGY: 3762600 746.8734 2069.8126 1955.8401 107.9376 -206355.7441 17803.4016 0.0000 0.0000 34396.2992 -149275.5796 300.3914 -183671.8788 -149176.0470 298.7509 49.8226 81.7861 556062.7659 -5.3188 -5.3916 PRESSURE: 3762800 -149.99 98.4744 83.9758 98.4718 -296.532 24.798 83.9759 24.7989 30.3734 GPRESSURE: 3762800 -95.1059 37.1529 15.5838 68.1304 -309.538 52.2612 116.563 -19.734 87.4763 PRESSAVG: 3762800 -49.5562 36.3652 -5.59795 36.3651 -29.9679 -1.98179 -5.59792 -1.98167 55.2586 GPRESSAVG: 3762800 -48.4528 37.5298 -4.99798 34.2702 -30.4537 -2.28249 -6.41285 -0.782676 54.6821 TIMING: 3762800 CPU: 11320.1, 0.00298601/step Wall: 11320.1, 0.00298601/step, 1.02619 hours remaining, 209.347656 MB of memory in use. ENERGY: 3762800 769.9119 2049.7413 1947.0534 122.3919 -205991.1450 17494.6910 0.0000 0.0000 34282.9870 -149324.3685 299.4019 -183607.3555 -149226.8498 299.4798 -138.7162 -105.7227 555646.7108 -8.0885 -8.0748 PRESSURE: 3763000 -28.5793 -41.6136 47.3085 -41.6133 41.4583 17.4288 47.3089 17.4294 48.7731 GPRESSURE: 3763000 3.00832 -39.6505 87.8851 -79.7196 58.1637 -131.551 42.1515 28.6878 107.335 PRESSAVG: 3763000 18.0471 1.0853 16.4551 1.08525 -80.9118 -45.2035 16.4551 -45.2034 63.2814 GPRESSAVG: 3763000 17.7766 0.307711 17.8817 2.1476 -80.9514 -47.035 16.7228 -44.4513 63.5172 TIMING: 3763000 CPU: 11320.7, 0.00295294/step Wall: 11320.7, 0.00295294/step, 1.01466 hours remaining, 209.347656 MB of memory in use. ENERGY: 3763000 693.9159 2090.6342 1949.9979 100.5365 -206036.4078 17562.7650 0.0000 0.0000 34336.8850 -149301.6733 299.8726 -183638.5583 -149207.1104 299.8682 20.5507 56.1690 555641.9855 0.1389 0.1142 PRESSURE: 3763200 70.0945 -42.4669 23.4056 -42.4668 -15.4311 -49.4494 23.4045 -49.4473 24.9169 GPRESSURE: 3763200 129.518 42.2333 7.31213 -49.7092 2.85791 -56.026 91.036 -38.2817 37.6107 PRESSAVG: 3763200 14.1484 0.093604 3.09518 0.0935304 -41.0158 4.33531 3.09522 4.33523 76.04 GPRESSAVG: 3763200 14.8072 0.167756 2.32374 0.106578 -41.2695 7.38479 2.62538 3.47578 75.7695 TIMING: 3763200 CPU: 11321.3, 0.00295424/step Wall: 11321.3, 0.00295424/step, 1.01494 hours remaining, 209.347656 MB of memory in use. ENERGY: 3763200 747.0154 2042.7896 1953.8369 96.0338 -206282.0746 17932.0657 0.0000 0.0000 34342.9275 -149167.4056 299.9253 -183510.3332 -149073.0226 299.5664 26.5268 56.6621 556793.5817 16.3908 16.4357 PRESSURE: 3763400 98.7648 218.606 122.098 218.606 -19.4754 -96.9714 122.097 -96.9722 8.37236 GPRESSURE: 3763400 57.4324 138.296 90.5786 160.606 20.9903 -108.998 110.381 -135.276 111.527 PRESSAVG: 3763400 -18.1979 -28.0048 -4.67946 -28.0049 5.22774 20.6731 -4.67949 20.673 -40.095 GPRESSAVG: 3763400 -19.6713 -26.5961 -7.462 -30.1044 5.31127 19.8977 -2.89469 18.5185 -38.4926 TIMING: 3763400 CPU: 11321.9, 0.00297781/step Wall: 11321.9, 0.00297781/step, 1.02288 hours remaining, 209.347656 MB of memory in use. ENERGY: 3763400 769.4862 2091.6942 1951.5939 99.5720 -206052.4643 17667.9526 0.0000 0.0000 34189.0911 -149283.0743 298.5818 -183472.1655 -149186.7133 299.5758 29.2206 63.3164 556279.1215 -17.6884 -17.6175 PRESSURE: 3763600 -165.486 -57.082 -86.0997 -57.0825 -90.3004 115.639 -86.1004 115.639 80.6395 GPRESSURE: 3763600 -112.787 -38.1105 -67.7876 -60.449 -67.7007 65.3102 -202.689 157.663 102.564 PRESSAVG: 3763600 -35.6772 25.5289 20.0119 25.529 56.1128 14.7017 20.0119 14.7016 24.4549 GPRESSAVG: 3763600 -34.5056 25.2279 23.7561 27.3354 57.8904 16.0315 16.3669 15.822 21.0438 TIMING: 3763600 CPU: 11322.5, 0.00296954/step Wall: 11322.5, 0.00296954/step, 1.01987 hours remaining, 209.347656 MB of memory in use. ENERGY: 3763600 744.4086 2085.2000 1946.6869 99.8287 -206093.3689 17681.8365 0.0000 0.0000 34203.6907 -149331.7174 298.7093 -183535.4081 -149237.0022 298.8884 -58.3823 -25.9745 556957.0839 14.9635 14.8096 PRESSURE: 3763800 -258.034 -45.4156 -123.125 -45.4154 -149.281 12.692 -123.126 12.6901 -173.125 GPRESSURE: 3763800 -219.545 -62.858 -46.9227 -31.914 -192.019 -5.2227 -188.252 53.7035 -62.8166 PRESSAVG: 3763800 -30.8922 -12.118 22.1317 -12.1181 -32.4432 6.24379 22.1317 6.24379 52.1038 GPRESSAVG: 3763800 -30.6389 -11.59 21.6692 -11.9605 -32.8551 4.84951 24.7439 6.7551 52.2254 TIMING: 3763800 CPU: 11323.1, 0.00297633/step Wall: 11323.1, 0.00297633/step, 1.02204 hours remaining, 209.347656 MB of memory in use. ENERGY: 3763800 740.6501 2085.3747 1948.0453 116.5735 -206150.1302 17560.3256 0.0000 0.0000 34334.2523 -149364.9086 299.8496 -183699.1610 -149265.5407 298.7992 -193.4800 -158.1268 557872.2214 -3.7439 -3.7562 PRESSURE: 3764000 110.211 39.1497 -2.85541 39.1504 -95.1753 -38.213 -2.85493 -38.2135 253.066 GPRESSURE: 3764000 125.791 86.1762 -54.7842 16.5797 -42.5926 -43.5971 32.3058 -28.1092 277.598 PRESSAVG: 3764000 -3.42778 18.6205 -90.8203 18.6205 -27.387 -22.2476 -90.8204 -22.2475 23.561 GPRESSAVG: 3764000 -4.6547 18.8789 -93.7982 16.4795 -28.2213 -22.5027 -89.2677 -22.0668 25.5966 TIMING: 3764000 CPU: 11323.7, 0.00299214/step Wall: 11323.7, 0.00299214/step, 1.0273 hours remaining, 209.347656 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: 3764000 737.0554 2091.3795 1958.3041 112.3849 -206453.1443 17952.6837 0.0000 0.0000 34297.3225 -149304.0142 299.5270 -183601.3367 -149209.6430 299.2388 89.3671 120.2655 556168.4990 -2.4179 -2.4265 PRESSURE: 3764200 -255.473 -128.993 122.749 -128.992 49.5163 52.8558 122.747 52.8564 -52.5135 GPRESSURE: 3764200 -172.935 -125.934 239.733 -104.157 106.04 2.45173 153.431 95.0144 -97.6684 PRESSAVG: 3764200 -52.504 -36.0726 17.9629 -36.0725 38.6816 13.7391 17.9628 13.7391 41.767 GPRESSAVG: 3764200 -51.0284 -35.7628 21.4347 -33.6511 38.8706 13.4917 16.0842 14.1777 39.9172 TIMING: 3764200 CPU: 11324.3, 0.00299437/step Wall: 11324.3, 0.00299437/step, 1.0279 hours remaining, 209.347656 MB of memory in use. ENERGY: 3764200 725.6969 2063.7941 1937.5529 106.9047 -206292.5639 17705.9991 0.0000 0.0000 34225.8299 -149526.7863 298.9027 -183752.6162 -149420.6394 298.4470 -86.1568 -54.8547 557650.1183 9.3149 9.2532 LDB: ============= START OF LOAD BALANCING ============== 11327.8 LDB: ============== END OF LOAD BALANCING =============== 11327.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11327.8 LDB: ============= START OF LOAD BALANCING ============== 11328.1 LDB: Largest compute 4802 load 0.030461 is 25.8% of average load 0.118197 LDB: Average compute 0.001712 is 1.4% of average load 0.118197 LDB: TIME 11328.1 LOAD: AVG 0.118197 MAX 0.21188 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.742 MB LDB: TIME 11328.1 LOAD: AVG 0.118197 MAX 0.21188 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.945 MB LDB: TIME 11328.1 LOAD: AVG 0.118197 MAX 0.21188 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.945 MB LDB: ============== END OF LOAD BALANCING =============== 11328.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11328.1 PRESSURE: 3764400 118.673 -177.442 -117.107 -177.442 -67.4855 -16.8029 -117.107 -16.8042 205.284 GPRESSURE: 3764400 113.976 -89.8349 -0.493738 -233.216 16.0023 29.6861 -253.418 -29.2044 228.299 PRESSAVG: 3764400 -27.5188 -19.6844 -28.0433 -19.6844 -29.5506 86.8653 -28.0433 86.8651 53.8997 GPRESSAVG: 3764400 -28.5855 -21.6803 -28.5095 -18.8567 -30.2353 88.1133 -28.0247 86.0573 55.9326 TIMING: 3764400 CPU: 11324.9, 0.00304638/step Wall: 11324.9, 0.00304638/step, 1.04559 hours remaining, 209.839844 MB of memory in use. ENERGY: 3764400 738.5496 2025.2521 1929.7579 108.1485 -206328.1794 17939.6694 0.0000 0.0000 34277.9045 -149308.8973 299.3575 -183586.8018 -149211.4135 298.6284 85.4906 119.4258 557094.3969 -1.0566 -0.9627 PRESSURE: 3764600 -44.391 -6.63891 3.36472 -6.63875 -137.066 -12.3414 3.36406 -12.3422 -52.6006 GPRESSURE: 3764600 13.3886 -5.6238 56.0983 -16.5042 -141.765 -56.4782 43.1172 -8.18626 -9.83235 PRESSAVG: 3764600 27.8325 -25.6519 -34.5984 -25.6519 14.2958 44.8603 -34.5984 44.8602 -66.1369 GPRESSAVG: 3764600 29.0662 -24.7924 -33.9703 -26.0014 14.8636 44.3978 -35.2715 44.4723 -67.1792 TIMING: 3764600 CPU: 11325.5, 0.00296964/step Wall: 11325.5, 0.00296964/step, 1.01908 hours remaining, 209.839844 MB of memory in use. ENERGY: 3764600 752.4305 2010.7040 1972.9998 119.3148 -205762.2184 17606.6806 0.0000 0.0000 34110.0646 -149190.0241 297.8917 -183300.0887 -149099.1027 298.6276 -78.0192 -46.0698 557863.9654 -8.0029 -7.7498 PRESSURE: 3764800 -246.552 -5.92984 23.4837 -5.92844 101.613 -11.3311 23.4845 -11.3302 -376.748 GPRESSURE: 3764800 -167.05 -131.554 -38.0773 21.888 88.2002 -17.5953 3.24065 -4.37126 -345.792 PRESSAVG: 3764800 3.65714 36.1235 11.9983 36.1237 66.7065 -10.3887 11.9983 -10.3887 -33.5236 GPRESSAVG: 3764800 3.44462 34.8503 11.8445 33.7087 65.8734 -12.7469 12.2315 -7.50575 -32.5218 TIMING: 3764800 CPU: 11326.1, 0.002979/step Wall: 11326.1, 0.002979/step, 1.02213 hours remaining, 209.839844 MB of memory in use. ENERGY: 3764800 716.2413 2074.4702 1940.1320 114.3792 -205844.4533 17473.7910 0.0000 0.0000 34269.7811 -149255.6584 299.2865 -183525.4395 -149160.0345 299.1533 -173.8957 -141.5471 557240.6449 12.2800 12.2654 PRESSURE: 3765000 308.808 -44.6615 36.7183 -44.6613 199.043 -72.3081 36.7182 -72.3076 -5.80788 GPRESSURE: 3765000 314.667 49.1707 134.838 -104.683 183.626 -71.2444 2.7114 -43.0847 89.2381 PRESSAVG: 3765000 -31.5684 30.0966 -14.6842 30.0965 12.7498 3.57607 -14.6842 3.57613 23.2782 GPRESSAVG: 3765000 -31.7229 32.7419 -13.8006 29.5753 13.9219 4.04567 -16.3703 2.46322 22.4912 TIMING: 3765000 CPU: 11326.7, 0.00297466/step Wall: 11326.7, 0.00297466/step, 1.02047 hours remaining, 209.839844 MB of memory in use. ENERGY: 3765000 726.7976 2106.6960 1930.3387 102.6213 -205993.4843 17750.2470 0.0000 0.0000 34106.6393 -149270.1443 297.8618 -183376.7836 -149176.1560 299.1578 167.3477 195.8438 555960.5663 1.4865 1.5634 PRESSURE: 3765200 -35.6794 67.1645 171.971 67.165 -2.41151 -149.671 171.971 -149.67 -114.227 GPRESSURE: 3765200 6.75924 31.8141 58.689 52.432 -13.2463 -111.023 171.35 -182.039 -40.9198 PRESSAVG: 3765200 59.6688 30.5133 -66.6997 30.5133 -61.8363 -1.15534 -66.6997 -1.15518 23.4514 GPRESSAVG: 3765200 59.3238 28.6519 -69.3888 31.3753 -61.8857 -0.289504 -63.6861 -1.87755 24.2391 TIMING: 3765200 CPU: 11327.3, 0.00299808/step Wall: 11327.3, 0.00299808/step, 1.02834 hours remaining, 209.839844 MB of memory in use. ENERGY: 3765200 765.3797 2078.7850 1927.6453 103.6801 -206325.8647 17825.8050 0.0000 0.0000 34295.2009 -149329.3687 299.5085 -183624.5697 -149228.6552 299.4490 -50.7727 -15.8023 557717.9862 7.0946 7.2257 PRESSURE: 3765400 50.6258 -79.9014 -165.582 -79.901 163.444 -184.875 -165.581 -184.877 -219.725 GPRESSURE: 3765400 104.027 -18.9392 -97.3781 -101.915 157.609 -189.965 -284.972 -206.924 -169.992 PRESSAVG: 3765400 26.7772 40.7693 -2.91442 40.7692 -14.2488 -63.295 -2.9144 -63.295 -11.2742 GPRESSAVG: 3765400 26.2703 42.1241 -1.48143 39.6088 -12.9423 -62.3497 -4.703 -62.7358 -12.4021 TIMING: 3765400 CPU: 11327.9, 0.0029679/step Wall: 11327.9, 0.0029679/step, 1.01783 hours remaining, 209.839844 MB of memory in use. ENERGY: 3765400 737.7137 2072.9494 1948.9035 110.4830 -206122.2853 17744.6157 0.0000 0.0000 34170.7897 -149336.8303 298.4220 -183507.6200 -149241.6337 299.4913 -1.8850 30.5482 556817.0165 0.4181 0.3086 PRESSURE: 3765600 340.541 51.3162 65.282 51.316 166.865 -54.8281 65.2817 -54.8265 247.47 GPRESSURE: 3765600 368.968 51.5467 28.9564 24.5711 156.137 -65.6087 30.3703 3.99131 323.583 PRESSAVG: 3765600 19.9055 68.2462 -21.3357 68.2462 -48.6045 -19.1349 -21.3357 -19.1349 31.9047 GPRESSAVG: 3765600 19.7805 68.3772 -19.7467 71.064 -50.4575 -19.4139 -23.528 -19.6424 33.6305 TIMING: 3765600 CPU: 11328.5, 0.00303299/step Wall: 11328.5, 0.00303299/step, 1.03998 hours remaining, 209.839844 MB of memory in use. ENERGY: 3765600 766.0844 2081.7021 1933.8031 116.5044 -206168.5442 18068.8627 0.0000 0.0000 34154.5097 -149047.0779 298.2798 -183201.5876 -148958.6405 299.4016 251.6255 282.8962 557590.0156 1.0686 0.9845 PRESSURE: 3765800 -105.304 61.901 -109.205 61.9007 -202.251 27.9666 -109.206 27.9652 104.395 GPRESSURE: 3765800 -66.9227 61.1968 5.48704 -35.3149 -210.242 54.0335 -146.173 23.5758 174.664 PRESSAVG: 3765800 -9.56631 15.7616 55.0784 15.7615 -57.4478 -64.1358 55.0784 -64.1358 66.7088 GPRESSAVG: 3765800 -9.185 15.4824 55.202 13.5755 -56.7749 -65.8835 57.617 -63.3684 65.718 TIMING: 3765800 CPU: 11329.1, 0.00296491/step Wall: 11329.1, 0.00296491/step, 1.01647 hours remaining, 209.839844 MB of memory in use. ENERGY: 3765800 763.3460 2062.9986 1966.1986 104.8201 -205976.4010 17665.8738 0.0000 0.0000 34288.3614 -149124.8025 299.4488 -183413.1639 -149027.4449 299.6538 -67.7201 -34.1669 556579.4296 -0.1018 -0.0807 PRESSURE: 3766000 -122.414 105.764 -47.6401 105.765 -75.4811 -53.3038 -47.6395 -53.3045 126.612 GPRESSURE: 3766000 -98.9529 146.63 -111.44 122.389 -14.4243 20.7404 36.8578 -110.384 154.478 PRESSAVG: 3766000 43.8083 -12.6243 -17.0316 -12.6242 -59.8484 -7.80646 -17.0316 -7.8064 22.9603 GPRESSAVG: 3766000 42.8837 -11.5735 -17.7081 -12.9499 -58.9374 -6.28102 -17.6087 -8.93422 22.4641 TIMING: 3766000 CPU: 11329.7, 0.00297319/step Wall: 11329.7, 0.00297319/step, 1.01914 hours remaining, 209.839844 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: 3766000 748.2114 2086.5960 1930.8544 109.9255 -206138.3134 17812.2273 0.0000 0.0000 34444.1145 -149006.3844 300.8090 -183450.4989 -148915.5202 300.2380 -23.7611 13.7003 556563.3299 2.3067 2.1368 PRESSURE: 3766200 135.786 97.7202 -94.2676 97.7197 61.0455 -97.3029 -94.2679 -97.3024 14.3608 GPRESSURE: 3766200 207.949 34.2283 -121.399 122.977 74.9509 -149.447 -34.3141 -60.9466 34.5531 PRESSAVG: 3766200 -4.65157 -9.09168 -29.8916 -9.09165 -27.5031 -11.2137 -29.8916 -11.2138 32.1566 GPRESSAVG: 3766200 -4.79743 -11.2568 -30.9452 -8.89962 -26.999 -11.3825 -30.7526 -11.4273 31.8507 TIMING: 3766200 CPU: 11330.3, 0.00296934/step Wall: 11330.3, 0.00296934/step, 1.01766 hours remaining, 209.839844 MB of memory in use. ENERGY: 3766200 738.6807 2123.7577 1933.1614 111.0432 -205818.8448 17792.2243 0.0000 0.0000 34375.3301 -148744.6475 300.2083 -183119.9776 -148650.2590 300.9428 70.3976 105.8176 557226.0085 0.0006 0.0181 PRESSURE: 3766400 55.1976 -39.4833 199.687 -39.4841 -108.279 -73.2464 199.686 -73.2467 22.5346 GPRESSURE: 3766400 28.2195 57.6532 194.968 -51.0187 -12.1207 -53.5924 239.969 -109.829 58.7061 PRESSAVG: 3766400 1.47361 -17.6864 55.5565 -17.6866 21.8571 5.73955 55.5564 5.73952 6.93051 GPRESSAVG: 3766400 1.82807 -16.5304 56.9466 -15.5259 20.8649 6.74461 57.3777 5.52794 7.70979 TIMING: 3766400 CPU: 11330.9, 0.00300557/step Wall: 11330.9, 0.00300557/step, 1.02991 hours remaining, 209.839844 MB of memory in use. ENERGY: 3766400 736.0927 2126.0097 1941.4357 103.3819 -205600.1860 17460.7616 0.0000 0.0000 34336.5513 -148895.9531 299.8696 -183232.5044 -148797.9452 299.9855 -10.1822 24.9349 556209.5484 10.0871 10.1343 PRESSURE: 3766600 155.973 89.4319 49.715 89.4326 -171.668 -158.858 49.7128 -158.858 -17.3015 GPRESSURE: 3766600 158.587 71.1121 -62.2134 158.24 -109.641 -144.655 119.869 -167.31 5.74015 PRESSAVG: 3766600 10.4788 -37.6781 -47.6604 -37.678 -19.0643 -61.4885 -47.6604 -61.4884 29.6681 GPRESSAVG: 3766600 10.6332 -37.7484 -48.7636 -39.1451 -18.8672 -62.1148 -48.9778 -61.7008 29.5133 TIMING: 3766600 CPU: 11331.5, 0.00302121/step Wall: 11331.5, 0.00302121/step, 1.0351 hours remaining, 209.839844 MB of memory in use. ENERGY: 3766600 733.0580 2132.3911 1911.9929 106.9462 -205862.2440 17674.0113 0.0000 0.0000 34374.9926 -148928.8518 300.2054 -183303.8444 -148830.0448 299.4065 -10.9991 18.2287 556978.1109 7.0275 7.0931 PRESSURE: 3766800 144.405 27.1613 15.1176 27.1616 88.6697 -6.7517 15.1182 -6.75258 8.36304 GPRESSURE: 3766800 185.466 -3.16317 29.7557 21.4469 123.701 -73.742 50.1684 4.15748 30.986 PRESSAVG: 3766800 -28.861 20.5899 -35.1502 20.5899 42.6547 -83.0001 -35.1502 -83 -30.4135 GPRESSAVG: 3766800 -28.6599 21.5809 -34.0884 20.4568 42.3852 -83.7606 -35.2577 -80.5791 -30.2504 TIMING: 3766800 CPU: 11332.1, 0.00302535/step Wall: 11332.1, 0.00302535/step, 1.03635 hours remaining, 209.839844 MB of memory in use. ENERGY: 3766800 773.0001 2072.1816 1943.4679 106.3143 -206064.6037 17938.4770 0.0000 0.0000 34253.4366 -148977.7261 299.1438 -183231.1627 -148877.0718 300.1023 80.4794 113.3844 556812.0055 -5.5399 -5.5084 PRESSURE: 3767000 -183.506 76.1177 -109.4 76.1176 10.5638 137.281 -109.4 137.28 -143.723 GPRESSURE: 3767000 -151.328 9.45294 -131.63 99.9703 27.8394 112.759 -44.3253 149.118 -87.3323 PRESSAVG: 3767000 -70.9473 21.847 29.6342 21.8471 -21.2231 -42.5553 29.6343 -42.5553 124.846 GPRESSAVG: 3767000 -72.3907 20.9565 29.4049 22.5115 -20.5419 -43.0396 30.3422 -43.6666 125.568 TIMING: 3767000 CPU: 11332.7, 0.00303644/step Wall: 11332.7, 0.00303644/step, 1.03998 hours remaining, 209.839844 MB of memory in use. ENERGY: 3767000 757.0448 2079.9951 1960.5393 120.0656 -205766.8708 17597.7491 0.0000 0.0000 34275.0032 -148976.4736 299.3321 -183251.4768 -148878.5309 299.2720 -105.5549 -70.2736 557121.0568 10.8920 10.8783 PRESSURE: 3767200 105.081 10.2082 -138.633 10.2089 373.601 85.9595 -138.633 85.9611 144.832 GPRESSURE: 3767200 123.637 -36.6277 -189.265 13.7282 383.745 113.807 -129.405 108.518 187.363 PRESSAVG: 3767200 -16.9237 28.4601 -5.84734 28.4601 44.5839 64.0426 -5.84738 64.0426 -36.9679 GPRESSAVG: 3767200 -15.5485 27.5627 -6.3696 27.8509 43.6546 63.7513 -9.17735 62.7823 -37.7954 TIMING: 3767200 CPU: 11333.3, 0.00302414/step Wall: 11333.3, 0.00302414/step, 1.0356 hours remaining, 209.839844 MB of memory in use. ENERGY: 3767200 734.3066 2125.5460 1946.6022 107.9639 -206404.2627 18121.3120 0.0000 0.0000 34361.0596 -149007.4725 300.0837 -183368.5320 -148913.1306 299.8473 207.8383 231.5815 558336.4807 -3.1026 -3.2298 PRESSURE: 3767400 -9.55074 -69.7923 -10.0041 -69.7935 -101.429 53.7528 -10.0043 53.7536 -28.1316 GPRESSURE: 3767400 32.7113 -17.2024 -11.4284 -51.0619 -76.6959 -13.9184 11.9145 103.123 -12.1395 PRESSAVG: 3767400 8.50361 1.15601 -32.99 1.15595 9.62497 -25.7121 -32.99 -25.7121 4.21033 GPRESSAVG: 3767400 8.59087 2.48643 -34.4962 1.92866 10.5636 -26.7044 -29.5253 -22.1171 2.83146 TIMING: 3767400 CPU: 11333.9, 0.00301772/step Wall: 11333.9, 0.00301772/step, 1.03323 hours remaining, 209.839844 MB of memory in use. ENERGY: 3767400 715.3501 2088.4746 1948.8660 117.4334 -206140.8444 17816.6062 0.0000 0.0000 34385.7754 -149068.3388 300.2995 -183454.1142 -148970.0657 299.0435 -46.3704 -18.7080 558679.5793 7.4463 7.3286 PRESSURE: 3767600 180.381 -7.18509 -62.8758 -7.18542 115.477 9.8797 -62.8754 9.88089 -140.29 GPRESSURE: 3767600 147.873 -32.3128 1.25478 -14.054 208.773 -14.4104 -77.8328 -14.0127 -92.8844 PRESSAVG: 3767600 18.0747 -6.7103 -29.9697 -6.71027 -17.9451 -5.90948 -29.9696 -5.9094 -4.32842 GPRESSAVG: 3767600 17.5765 -6.91148 -28.345 -7.31369 -18.5276 -3.83101 -28.9925 -9.49832 -2.95303 TIMING: 3767600 CPU: 11334.5, 0.00305628/step Wall: 11334.5, 0.00305628/step, 1.04627 hours remaining, 209.839844 MB of memory in use. ENERGY: 3767600 721.3812 2099.4972 1964.0700 105.8376 -205901.2409 17756.4518 0.0000 0.0000 34193.7555 -149060.2477 298.6226 -183254.0032 -148967.4347 299.3246 51.8561 87.9206 556192.9570 -1.3996 -1.3014 PRESSURE: 3767800 141.423 -126.622 -6.51731 -126.623 -69.2897 -146.395 -6.51868 -146.396 -113.361 GPRESSURE: 3767800 130.436 -158.862 -14.2371 -20.5169 -43.6618 -216.316 -31.334 -127.973 -31.0069 PRESSAVG: 3767800 50.5697 -1.20485 -4.57553 -1.20485 69.1822 -17.0894 -4.57558 -17.0894 -52.2462 GPRESSAVG: 3767800 50.6394 0.359982 -4.25296 -1.79977 69.1378 -18.2248 -5.34677 -16.0854 -51.5025 TIMING: 3767800 CPU: 11335.1, 0.00298065/step Wall: 11335.1, 0.00298065/step, 1.02021 hours remaining, 209.839844 MB of memory in use. ENERGY: 3767800 720.9447 2056.6462 1938.9638 128.0045 -205965.8691 17577.1811 0.0000 0.0000 34405.7962 -149138.3327 300.4744 -183544.1289 -149040.6753 300.1685 -13.7426 18.5890 556716.4478 22.5019 22.7582 PRESSURE: 3768000 34.1052 70.5057 -160.857 70.5045 230.527 -272.155 -160.857 -272.155 132.862 GPRESSURE: 3768000 84.3074 37.7819 -176.466 77.9378 239.469 -248.711 -151.561 -161.179 171.512 PRESSAVG: 3768000 16.6765 -46.0589 -30.4953 -46.0588 -68.2263 -14.3652 -30.4953 -14.3651 -20.5201 GPRESSAVG: 3768000 16.4453 -47.8283 -30.6844 -45.8632 -67.3041 -14.1431 -31.9832 -13.3853 -21.0309 TIMING: 3768000 CPU: 11335.7, 0.00295934/step Wall: 11335.7, 0.00295934/step, 1.01275 hours remaining, 209.839844 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: 3768000 741.1767 2090.3620 1955.9585 110.6957 -206406.5526 17957.7651 0.0000 0.0000 34290.7572 -149259.8374 299.4697 -183550.5946 -149168.6376 299.7482 132.4983 165.0960 556251.2188 -24.0233 -23.9632 PRESSURE: 3768200 -225.995 -15.9687 -115.186 -15.969 -247.655 66.8703 -115.185 66.8704 -1.83168 GPRESSURE: 3768200 -224.947 -30.2153 -226.465 -73.0095 -191.765 43.3634 -165.381 106.38 40.967 PRESSAVG: 3768200 57.3954 -46.0267 -3.27688 -46.0267 -7.94977 -31.4974 -3.27691 -31.4974 -9.43799 GPRESSAVG: 3768200 58.0191 -46.4358 -4.14111 -44.6831 -8.54852 -29.8955 -1.52911 -31.6307 -9.48457 TIMING: 3768200 CPU: 11336.3, 0.0029653/step Wall: 11336.3, 0.0029653/step, 1.01463 hours remaining, 209.839844 MB of memory in use. ENERGY: 3768200 719.3276 2053.3298 1947.5571 116.6399 -205569.0915 17491.4712 0.0000 0.0000 34142.6345 -149098.1315 298.1761 -183240.7660 -148999.9896 299.8357 -158.4938 -125.2485 558095.2466 13.3359 13.3287 LDB: ============= START OF LOAD BALANCING ============== 11339.8 LDB: ============== END OF LOAD BALANCING =============== 11339.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11339.8 LDB: ============= START OF LOAD BALANCING ============== 11340.1 LDB: Largest compute 4802 load 0.031342 is 26.5% of average load 0.118268 LDB: Average compute 0.001708 is 1.4% of average load 0.118268 LDB: TIME 11340.1 LOAD: AVG 0.118268 MAX 0.211055 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.965 MB LDB: TIME 11340.1 LOAD: AVG 0.118268 MAX 0.211055 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.035 MB LDB: TIME 11340.1 LOAD: AVG 0.118268 MAX 0.211055 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.035 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11340.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11340.1 PRESSURE: 3768400 -74.1698 -88.1354 -21.6967 -88.1344 -6.42501 9.92467 -21.6957 9.926 342.698 GPRESSURE: 3768400 -0.530326 -91.9287 -52.9901 -46.2044 18.211 -21.614 48.6385 51.2301 334.492 PRESSAVG: 3768400 -82.1446 -1.28629 -76.801 -1.28623 86.3083 -64.6614 -76.801 -64.6614 19.2196 GPRESSAVG: 3768400 -81.6352 0.276965 -77.8759 -1.12457 86.3916 -65.736 -76.3412 -64.7135 18.8213 TIMING: 3768400 CPU: 11336.9, 0.00303882/step Wall: 11336.9, 0.00303882/step, 1.03962 hours remaining, 210.433594 MB of memory in use. ENERGY: 3768400 737.6709 2116.6350 1937.0320 103.2942 -206486.0009 18025.0038 0.0000 0.0000 34312.1233 -149254.2417 299.6563 -183566.3650 -149159.3862 299.7508 87.3678 117.3908 555896.0370 7.7945 7.8592 PRESSURE: 3768600 -34.9781 -129.843 -108.172 -129.844 -259.164 18.075 -108.175 18.0747 -92.2097 GPRESSURE: 3768600 -40.6678 -134.435 -38.3722 -126.574 -214.569 34.6357 -92.0774 -31.381 -37.1837 PRESSAVG: 3768600 -22.2337 -9.20388 33.7391 -9.20383 4.27877 32.0099 33.739 32.0099 4.18596 GPRESSAVG: 3768600 -22.0764 -9.95597 33.3287 -8.42121 5.09922 29.7166 34.5064 33.2976 2.83773 TIMING: 3768600 CPU: 11337.5, 0.00299219/step Wall: 11337.5, 0.00299219/step, 1.02349 hours remaining, 210.636719 MB of memory in use. ENERGY: 3768600 739.4734 2033.6091 1966.7080 112.5745 -205990.7702 17519.1922 0.0000 0.0000 34366.0321 -149253.1810 300.1271 -183619.2131 -149155.6647 299.7816 -128.7839 -97.4736 556050.2119 -4.5897 -4.7131 PRESSURE: 3768800 -61.9008 29.9744 74.316 29.9743 -115.225 -92.5735 74.3161 -92.5748 -165.865 GPRESSURE: 3768800 43.5757 -64.8009 60.5914 92.4036 -148.015 -143.835 75.8959 -85.3388 -132.005 PRESSAVG: 3768800 -0.541712 35.3941 -1.64645 35.3941 -7.07275 6.09385 -1.64641 6.09387 23.8206 GPRESSAVG: 3768800 0.0568597 35.4768 1.02414 34.7296 -9.31425 7.59357 -3.97985 4.79581 25.6419 TIMING: 3768800 CPU: 11338.1, 0.0030005/step Wall: 11338.1, 0.0030005/step, 1.02617 hours remaining, 210.839844 MB of memory in use. ENERGY: 3768800 768.8367 2062.2472 1907.6091 117.2278 -206382.8774 17767.1928 0.0000 0.0000 34428.9991 -149330.7646 300.6770 -183759.7637 -149230.1470 299.4820 -114.3305 -78.8147 555549.0246 5.4020 5.4615 PRESSURE: 3769000 -127.573 -105.968 7.7794 -105.969 -255.606 -143.053 7.77954 -143.052 43.53 GPRESSURE: 3769000 -114.272 -31.1246 68.6107 -166.429 -202.268 -183.748 -19.9908 -29.5436 74.0952 PRESSAVG: 3769000 -16.8164 9.37389 8.15029 9.37388 -12.7795 -39.3145 8.1503 -39.3145 42.9363 GPRESSAVG: 3769000 -17.2828 8.61667 6.41809 8.69073 -12.3683 -41.1226 10.7301 -37.7797 42.0305 TIMING: 3769000 CPU: 11338.7, 0.0030283/step Wall: 11338.7, 0.0030283/step, 1.03551 hours remaining, 210.839844 MB of memory in use. ENERGY: 3769000 730.8091 2013.7201 1939.9792 114.4369 -205908.6851 17555.0277 0.0000 0.0000 34160.9273 -149393.7848 298.3359 -183554.7121 -149293.0251 299.7012 -113.2164 -80.8147 556958.0254 4.4468 4.1264 PRESSURE: 3769200 -47.5209 222.506 75.184 222.506 -94.9167 -25.8114 75.1838 -25.8115 -272.381 GPRESSURE: 3769200 -27.0105 129.763 89.1126 160.43 -56.5883 -49.6321 91.9358 -3.25551 -239.145 PRESSAVG: 3769200 -11.0813 -75.0394 7.78303 -75.0393 0.0880238 0.193954 7.78311 0.194099 -3.62099 GPRESSAVG: 3769200 -12.0737 -73.2455 9.1646 -75.824 1.07157 0.439398 6.24609 -0.305399 -3.30742 TIMING: 3769200 CPU: 11339.3, 0.00300046/step Wall: 11339.3, 0.00300046/step, 1.02582 hours remaining, 210.839844 MB of memory in use. ENERGY: 3769200 769.8680 2010.3509 1934.8117 111.1140 -206265.7819 17763.9271 0.0000 0.0000 34384.4928 -149291.2174 300.2883 -183675.7101 -149185.4188 298.8225 -138.2728 -107.5814 557108.4583 -4.8714 -4.7698 PRESSURE: 3769400 -79.8969 -33.8695 -110.274 -33.87 -269.355 -30.0349 -110.274 -30.0345 151.494 GPRESSURE: 3769400 -70.6654 -48.825 -99.6097 -51.2646 -227.604 -58.2154 -176.07 85.7081 200.257 PRESSAVG: 3769400 -11.3433 28.4823 -4.12273 28.4822 -56.3139 -25.677 -4.12276 -25.677 49.996 GPRESSAVG: 3769400 -11.036 29.0259 -6.79682 27.0729 -57.5608 -25.5348 -4.88573 -25.4429 50.8213 TIMING: 3769400 CPU: 11339.9, 0.00295378/step Wall: 11339.9, 0.00295377/step, 1.0097 hours remaining, 210.839844 MB of memory in use. ENERGY: 3769400 704.7267 2074.8608 1928.2768 96.3679 -205989.0984 17531.6360 0.0000 0.0000 34178.6813 -149474.5489 298.4909 -183653.2302 -149367.6857 299.6489 -65.9194 -32.6706 557804.8102 -5.8871 -5.9252 PRESSURE: 3769600 -16.7654 89.3882 -107.416 89.388 -197.162 -134.593 -107.416 -134.593 -227.408 GPRESSURE: 3769600 14.8722 20.1537 -161.648 59.1202 -159.287 -149.973 -49.334 -163.735 -188.745 PRESSAVG: 3769600 -22.6943 -9.36373 -11.7631 -9.36373 -36.6786 3.35357 -11.7631 3.35356 9.98888 GPRESSAVG: 3769600 -22.1094 -9.36445 -7.26119 -8.57015 -36.7291 3.32415 -12.6805 4.10668 8.96909 TIMING: 3769600 CPU: 11340.5, 0.00296804/step Wall: 11340.5, 0.00296804/step, 1.01441 hours remaining, 210.839844 MB of memory in use. ENERGY: 3769600 736.1674 2064.1159 1950.6553 102.8929 -206084.3241 17599.9101 0.0000 0.0000 34078.0246 -149552.5579 297.6119 -183630.5825 -149460.0207 298.3811 -147.1119 -111.0533 557101.1134 -16.4614 -16.6231 PRESSURE: 3769800 99.2523 -26.3527 -64.2064 -26.3526 166.031 -64.1818 -64.2063 -64.1827 267.741 GPRESSURE: 3769800 176.492 -65.6782 -68.9594 -2.5083 195.247 -15.9298 -113.545 -113.529 262.991 PRESSAVG: 3769800 48.5477 -3.83303 -22.7828 -3.83316 -9.98644 -33.3785 -22.7828 -33.3785 -14.8675 GPRESSAVG: 3769800 47.605 -5.9515 -24.1735 -2.38586 -9.16384 -31.034 -21.3402 -36.2569 -15.3672 TIMING: 3769800 CPU: 11341.1, 0.0030014/step Wall: 11341.1, 0.0030014/step, 1.02565 hours remaining, 210.839844 MB of memory in use. ENERGY: 3769800 759.8090 2016.7453 1945.3471 100.5651 -206776.8141 18236.8417 0.0000 0.0000 34242.7331 -149474.7726 299.0503 -183717.5057 -149375.3136 298.6377 177.6746 211.5766 555658.2015 7.8979 7.6913 PRESSURE: 3770000 187.025 21.5274 -2.40706 21.5285 19.0292 -63.6402 -2.4063 -63.6402 12.5772 GPRESSURE: 3770000 208.594 109.61 49.2645 -22.8611 40.2215 -28.1906 33.6515 -117.856 62.8312 PRESSAVG: 3770000 5.59281 3.51648 -24.2127 3.51646 21.6848 31.5151 -24.2128 31.5149 9.43924 GPRESSAVG: 3770000 5.96564 3.38424 -25.5538 3.11385 20.4151 28.8937 -25.4062 33.2003 10.4551 TIMING: 3770000 CPU: 11341.7, 0.00296441/step Wall: 11341.7, 0.00296441/step, 1.01284 hours remaining, 210.839844 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: 3770000 731.6069 2083.6018 1935.3043 116.1319 -206499.7164 17927.2678 0.0000 0.0000 34089.8415 -149615.9623 297.7151 -183705.8038 -149517.8663 299.0211 72.8770 103.8822 557368.9043 12.2390 12.2786 PRESSURE: 3770200 112.928 -24.503 -12.7153 -24.5046 -59.0468 -61.6141 -12.7154 -61.6132 -262.43 GPRESSURE: 3770200 146.804 -32.2448 -30.9261 14.5086 -52.9629 9.09141 4.44525 -46.0623 -189.484 PRESSAVG: 3770200 -15.4666 -53.2766 4.20418 -53.2766 49.4528 53.1974 4.20419 53.1975 -63.9572 GPRESSAVG: 3770200 -15.2677 -52.6617 4.38205 -53.7948 49.8733 54.8262 5.02492 52.9026 -65.0627 TIMING: 3770200 CPU: 11342.3, 0.00301972/step Wall: 11342.3, 0.00301972/step, 1.03157 hours remaining, 210.839844 MB of memory in use. ENERGY: 3770200 762.9116 2074.3850 1946.1440 111.2563 -206640.8551 18089.2378 0.0000 0.0000 34129.8749 -149527.0454 298.0647 -183656.9203 -149426.3826 298.2221 -69.5162 -31.8808 558260.3478 -9.9904 -10.1524 PRESSURE: 3770400 168.185 50.7156 -188.536 50.7162 -179.019 -113.87 -188.536 -113.868 -18.2963 GPRESSURE: 3770400 210.503 93.829 -160.988 57.4199 -106.98 -97.4077 -178.607 -60.6745 -36.0076 PRESSAVG: 3770400 63.2241 -26.8806 -28.468 -26.8806 -30.4646 -48.3421 -28.468 -48.3421 -19.909 GPRESSAVG: 3770400 62.7271 -26.0152 -26.3465 -23.8748 -29.4627 -47.4387 -29.9529 -49.2876 -20.5495 TIMING: 3770400 CPU: 11342.9, 0.00300017/step Wall: 11342.9, 0.00300017/step, 1.02473 hours remaining, 210.839844 MB of memory in use. ENERGY: 3770400 762.8972 2116.5352 1929.9004 107.3546 -206289.6688 17717.5834 0.0000 0.0000 34207.3735 -149448.0245 298.7415 -183655.3980 -149351.7729 298.8563 -9.7100 22.5050 555699.6823 4.2835 4.2383 PRESSURE: 3770600 -42.4066 1.5894 43.6679 1.59026 -149.612 29.6973 43.668 29.6969 25.8283 GPRESSURE: 3770600 -10.5372 30.0889 -4.01607 25.3389 -80.9307 62.2519 36.3513 81.4029 27.5624 PRESSAVG: 3770600 105.729 -9.89386 -6.76715 -9.89377 -61.2266 -3.36293 -6.76721 -3.36298 -27.3364 GPRESSAVG: 3770600 106.285 -12.8412 -10.2635 -10.5785 -61.0048 -1.36695 -2.76381 -3.17326 -28.1568 TIMING: 3770600 CPU: 11343.5, 0.00296523/step Wall: 11343.5, 0.00296523/step, 1.01263 hours remaining, 210.839844 MB of memory in use. ENERGY: 3770600 717.8428 2128.8765 1925.7014 108.1670 -205805.3201 17465.3136 0.0000 0.0000 34163.1432 -149296.2756 298.3552 -183459.4188 -149200.6710 299.5741 -55.3966 -21.3018 556057.8403 5.7219 5.7078 PRESSURE: 3770800 203.457 -173.463 123.809 -173.462 -48.7236 -42.5926 123.809 -42.593 125.936 GPRESSURE: 3770800 264.328 -250.577 158.414 -199.553 -50.2723 -9.24086 168.903 -153.839 158.043 PRESSAVG: 3770800 74.5695 -49.5851 3.05777 -49.585 -32.8051 -33.2046 3.05785 -33.2046 -35.632 GPRESSAVG: 3770800 75.2571 -46.3926 5.23108 -50.7374 -33.453 -36.4011 0.488687 -32.3601 -35.7407 TIMING: 3770800 CPU: 11344.1, 0.00300699/step Wall: 11344.1, 0.00300699/step, 1.02672 hours remaining, 210.839844 MB of memory in use. ENERGY: 3770800 706.9373 2127.7188 1945.3631 111.0276 -206471.7484 18031.2290 0.0000 0.0000 34282.6636 -149266.8091 299.3990 -183549.4727 -149169.4799 298.8771 93.5566 124.0330 556694.6975 2.0441 2.0211 PRESSURE: 3771000 -22.6314 115.993 -15.9661 115.993 -171.836 -24.9928 -15.9655 -24.9918 75.0437 GPRESSURE: 3771000 76.695 76.6391 -96.4575 125.573 -135.73 62.9909 70.2349 -43.5727 33.8776 PRESSAVG: 3771000 -52.7775 -27.8944 18.0113 -27.8944 14.3176 -22.0445 18.0113 -22.0445 43.2485 GPRESSAVG: 3771000 -53.7145 -28.7369 14.2053 -28.7078 14.1681 -23.6296 22.0107 -21.5163 44.0456 TIMING: 3771000 CPU: 11344.7, 0.00302263/step Wall: 11344.7, 0.00302263/step, 1.03189 hours remaining, 210.957031 MB of memory in use. ENERGY: 3771000 758.3814 2076.2996 1953.8191 102.3461 -206086.4293 17759.3086 0.0000 0.0000 34221.5912 -149214.6834 298.8657 -183436.2745 -149114.7769 299.4990 -39.8078 -8.3859 557312.0330 1.5962 1.4997 PRESSURE: 3771200 -429.852 91.7477 142.872 91.7472 -90.4423 -86.6881 142.871 -86.6895 5.83694 GPRESSURE: 3771200 -343.501 53.2705 79.3674 54.0371 -50.7172 -137.629 212.56 -2.14066 -14.0034 PRESSAVG: 3771200 -33.0668 -30.392 -50.1407 -30.392 16.4784 3.56216 -50.1407 3.56205 28.2928 GPRESSAVG: 3771200 -32.9457 -31.2164 -49.2653 -30.441 16.5523 4.64807 -53.8952 3.51457 28.1972 TIMING: 3771200 CPU: 11345.3, 0.00301435/step Wall: 11345.3, 0.00301435/step, 1.0289 hours remaining, 210.957031 MB of memory in use. ENERGY: 3771200 801.9237 2071.2355 1915.7018 113.3144 -205833.1452 17584.6995 0.0000 0.0000 34312.9359 -149033.3344 299.6634 -183346.2702 -148941.8802 298.9386 -171.4859 -136.0738 557961.8763 3.9015 3.9346 PRESSURE: 3771400 -105.695 -33.7996 35.0882 -33.8008 52.791 -6.76609 35.0875 -6.76567 -70.2426 GPRESSURE: 3771400 -80.1175 29.9672 44.9354 -84.9425 87.8142 -35.6627 -26.7359 10.3185 -20.9082 PRESSAVG: 3771400 -86.3907 -22.7118 -58.164 -22.712 34.97 5.90948 -58.1641 5.90952 57.123 GPRESSAVG: 3771400 -86.2875 -21.9145 -56.3252 -21.8363 34.2554 6.41553 -57.7044 5.25762 57.9629 TIMING: 3771400 CPU: 11345.9, 0.0029861/step Wall: 11345.9, 0.0029861/step, 1.01909 hours remaining, 210.957031 MB of memory in use. ENERGY: 3771400 769.2084 2084.3153 1969.7947 113.3420 -205587.3350 17528.1601 0.0000 0.0000 34320.0969 -148802.4176 299.7259 -183122.5145 -148707.8198 300.4630 -41.0490 -4.4038 557223.7777 1.9008 1.9769 PRESSURE: 3771600 -39.277 -60.0995 -51.2086 -60.1003 -5.49933 -30.0364 -51.2085 -30.0348 -195.568 GPRESSURE: 3771600 70.9969 13.5103 -92.4315 -79.7728 -15.8931 -28.2794 74.1496 -70.3173 -204.323 PRESSAVG: 3771600 16.0383 4.47814 -25.0218 4.47807 -54.3624 40.6731 -25.0219 40.673 42.9196 GPRESSAVG: 3771600 16.3912 4.53171 -26.326 5.0015 -55.165 41.4568 -25.8173 38.8834 42.8693 TIMING: 3771600 CPU: 11346.5, 0.00297496/step Wall: 11346.5, 0.00297496/step, 1.01512 hours remaining, 210.957031 MB of memory in use. ENERGY: 3771600 734.6461 2143.7978 1947.1370 106.9112 -205439.4833 17380.9655 0.0000 0.0000 34262.7065 -148863.3191 299.2247 -183126.0256 -148761.6937 299.7106 -80.1148 -49.7396 558212.0045 1.5318 1.3652 PRESSURE: 3771800 186.621 21.3366 22.6609 21.3358 111.04 30.3432 22.6591 30.3431 293.907 GPRESSURE: 3771800 203.255 36.0478 -6.79742 45.7925 165.339 22.4211 25.9985 7.84888 322.99 PRESSAVG: 3771800 21.6839 -19.3911 14.5806 -19.3911 13.0689 41.3355 14.5806 41.3354 -23.276 GPRESSAVG: 3771800 20.8922 -20.3384 14.4048 -19.9113 14.5968 37.9687 13.5216 44.1678 -23.5516 TIMING: 3771800 CPU: 11347.1, 0.00299485/step Wall: 11347.1, 0.00299485/step, 1.02174 hours remaining, 210.957031 MB of memory in use. ENERGY: 3771800 739.0504 2123.8317 1986.8541 107.3231 -206122.9087 18049.4391 0.0000 0.0000 34248.7642 -148867.6461 299.1030 -183116.4102 -148772.7026 300.1578 197.1891 230.5281 559232.6835 3.8256 3.9791 PRESSURE: 3772000 -30.4445 229.402 -11.2053 229.402 103.265 11.8423 -11.2053 11.8408 -70.0485 GPRESSURE: 3772000 -17.4894 192.76 -14.1895 187.116 87.487 -9.10258 77.5311 -11.0295 21.8213 PRESSAVG: 3772000 4.46746 44.5851 -11.6708 44.5851 -27.3835 13.4953 -11.6709 13.4953 24.4034 GPRESSAVG: 3772000 5.52816 46.076 -10.887 42.7915 -28.8458 15.1393 -11.5787 11.6939 24.9319 TIMING: 3772000 CPU: 11347.7, 0.00301591/step Wall: 11347.7, 0.00301591/step, 1.02876 hours remaining, 210.957031 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: 3772000 715.2933 2102.8909 1927.9253 114.6765 -205481.5767 17598.9495 0.0000 0.0000 34184.3868 -148837.4543 298.5408 -183021.8411 -148737.7040 299.8914 0.9241 30.6063 558706.0833 0.4958 0.5381 PRESSURE: 3772200 -87.8783 -75.8941 -41.182 -75.8943 -1.16885 -84.9956 -41.1819 -84.9962 -91.985 GPRESSURE: 3772200 -23.4034 -42.776 36.962 -83.0927 -0.234016 -29.6824 -41.5207 -165.936 -51.1573 PRESSAVG: 3772200 -100.595 -57.4293 -14.0142 -57.4294 39.7184 96.2534 -14.0144 96.2535 29.2314 GPRESSAVG: 3772200 -102.199 -56.7721 -15.3532 -56.0054 40.0515 95.5567 -12.2318 96.7906 30.1535 TIMING: 3772200 CPU: 11348.3, 0.00302325/step Wall: 11348.3, 0.00302325/step, 1.0311 hours remaining, 210.957031 MB of memory in use. ENERGY: 3772200 742.7460 2063.5251 1936.0884 128.9574 -205848.0128 17670.6582 0.0000 0.0000 34534.8643 -148771.1735 301.6016 -183306.0377 -148679.0264 300.7440 -60.3441 -24.9316 558165.4526 -10.5485 -10.6647 LDB: ============= START OF LOAD BALANCING ============== 11351.8 LDB: ============== END OF LOAD BALANCING =============== 11351.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11351.8 LDB: ============= START OF LOAD BALANCING ============== 11352.1 LDB: Largest compute 4802 load 0.029944 is 25.3% of average load 0.118236 LDB: Average compute 0.001718 is 1.5% of average load 0.118236 LDB: TIME 11352.1 LOAD: AVG 0.118236 MAX 0.213138 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.918 MB LDB: TIME 11352.1 LOAD: AVG 0.118236 MAX 0.213138 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.918 MB LDB: TIME 11352.1 LOAD: AVG 0.118236 MAX 0.213138 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.918 MB LDB: ============== END OF LOAD BALANCING =============== 11352.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11352.1 PRESSURE: 3772400 115.582 7.4478 52.7626 7.4484 -291.331 8.30381 52.7617 8.30376 -70.9707 GPRESSURE: 3772400 100.585 -31.4345 25.3718 19.6661 -258.814 20.2354 107.673 -17.7429 4.15423 PRESSAVG: 3772400 -32.938 -47.4578 1.60946 -47.4581 -1.8029 -4.17925 1.60953 -4.17927 66.7676 GPRESSAVG: 3772400 -32.0819 -49.4838 2.67749 -47.1231 -1.33321 -4.1405 1.00636 -2.76493 65.1238 TIMING: 3772400 CPU: 11348.9, 0.00310718/step Wall: 11348.9, 0.00310718/step, 1.05955 hours remaining, 209.390625 MB of memory in use. ENERGY: 3772400 774.4186 2096.8557 1923.0575 102.9322 -205997.6964 17639.7369 0.0000 0.0000 34694.7069 -148765.9887 302.9975 -183460.6956 -148663.1668 300.8320 -82.2399 -51.3583 557908.9487 10.6755 10.5696 PRESSURE: 3772600 265.198 -16.239 9.58438 -16.2386 84.874 16.8628 9.58525 16.8614 0.262901 GPRESSURE: 3772600 305.096 -11.6083 34.448 -19.0149 122.852 -6.23931 12.3062 18.3088 23.4001 PRESSAVG: 3772600 46.9816 19.067 55.4511 19.0669 -82.2905 0.276962 55.4511 0.277063 -3.82673 GPRESSAVG: 3772600 47.1214 20.4547 54.7093 16.9741 -82.9576 1.34365 55.2484 -1.32826 -3.13099 TIMING: 3772600 CPU: 11349.5, 0.00300683/step Wall: 11349.5, 0.00300683/step, 1.02516 hours remaining, 209.632812 MB of memory in use. ENERGY: 3772600 729.9231 2120.2167 1943.1542 113.0055 -206166.5819 18022.6699 0.0000 0.0000 34365.5119 -148872.1007 300.1226 -183237.6126 -148779.8758 300.5936 116.7785 150.4495 557688.9115 -13.0452 -12.9890 PRESSURE: 3772800 127.781 -104.505 -173.92 -104.505 367.236 -9.3702 -173.919 -9.37011 43.6737 GPRESSURE: 3772800 157.71 -139.444 -147.623 -80.5955 412.457 59.496 -143.364 -97.3155 67.377 PRESSAVG: 3772800 -57.4267 -23.734 4.16085 -23.734 34.9709 12.3505 4.16093 12.3505 5.57578 GPRESSAVG: 3772800 -56.5796 -21.5441 6.73614 -22.0936 35.8483 11.7855 4.60485 11.3837 4.83042 TIMING: 3772800 CPU: 11350.1, 0.00301124/step Wall: 11350.1, 0.00301124/step, 1.0265 hours remaining, 209.632812 MB of memory in use. ENERGY: 3772800 721.5813 2056.3777 1941.6617 115.5373 -206290.0826 18080.7723 0.0000 0.0000 34413.1112 -148961.0410 300.5383 -183374.1522 -148864.4576 299.9286 179.5634 212.5146 556194.3396 -5.6267 -5.3003 PRESSURE: 3773000 -58.5837 138.137 115.288 138.136 -13.5661 -65.6777 115.287 -65.6777 -202.897 GPRESSURE: 3773000 -39.9631 129.903 122.528 94.0262 6.20781 -33.5195 77.3437 -103.22 -141.757 PRESSAVG: 3773000 -36.1891 13.6159 25.194 13.6159 26.0677 -17.4628 25.194 -17.4627 17.0064 GPRESSAVG: 3773000 -34.3564 12.0006 23.8184 12.4891 23.9976 -17.2398 25.2746 -15.8494 17.1715 TIMING: 3773000 CPU: 11350.7, 0.00300864/step Wall: 11350.7, 0.00300864/step, 1.02545 hours remaining, 209.632812 MB of memory in use. ENERGY: 3773000 735.0277 2075.1696 1946.6120 105.9480 -205986.9762 17597.6204 0.0000 0.0000 34416.4087 -149110.1898 300.5671 -183526.5985 -149011.1611 299.3423 -91.6822 -58.5043 557317.8399 2.2950 2.2709 PRESSURE: 3773200 9.76074 11.9006 -123.629 11.9014 37.2036 215.636 -123.629 215.636 180.094 GPRESSURE: 3773200 8.7004 86.0566 -112.618 15.0775 56.959 212.346 -126.664 135.432 265.642 PRESSAVG: 3773200 23.1225 -12.2544 -0.422409 -12.2544 -52.2478 42.4232 -0.422378 42.4233 15.2355 GPRESSAVG: 3773200 21.283 -12.9208 -0.020154 -11.4338 -50.5576 41.9137 0.267929 41.9137 15.7427 TIMING: 3773200 CPU: 11351.3, 0.00300726/step Wall: 11351.3, 0.00300726/step, 1.02481 hours remaining, 209.632812 MB of memory in use. ENERGY: 3773200 695.5093 2116.8449 1941.7456 117.6048 -206261.3949 17933.5601 0.0000 0.0000 34299.3947 -149156.7354 299.5451 -183456.1301 -149062.8899 299.5009 75.6859 110.4337 558460.0013 -4.6299 -4.5106 PRESSURE: 3773400 -119.373 -10.647 3.55995 -10.6467 100.203 -28.7346 3.55977 -28.7353 -305.81 GPRESSURE: 3773400 -107.937 2.03706 32.1407 -29.6432 153.081 -49.6893 -99.9817 -121.014 -264.915 PRESSAVG: 3773400 -9.64432 42.3248 -31.9004 42.3249 -10.6246 57.7168 -31.9004 57.7169 61.7599 GPRESSAVG: 3773400 -9.85717 41.0219 -33.7416 43.1975 -11.5412 58.5598 -32.4049 56.6171 62.4947 TIMING: 3773400 CPU: 11351.9, 0.00301833/step Wall: 11351.9, 0.00301833/step, 1.02841 hours remaining, 209.632812 MB of memory in use. ENERGY: 3773400 702.2563 2080.6496 1935.3413 112.3211 -205854.0026 17536.2084 0.0000 0.0000 34331.7790 -149155.4468 299.8280 -183487.2257 -149066.6891 300.1126 -108.3268 -73.2571 558856.2074 13.8303 13.6988 PRESSURE: 3773600 -152.013 77.571 234.666 77.5701 -103.376 96.9403 234.666 96.9405 31.9859 GPRESSURE: 3773600 -165.678 44.0219 108.155 33.4486 -34.7225 109.391 277.91 119.56 83.621 PRESSAVG: 3773600 20.9864 9.00832 -12.7958 9.0083 16.9414 36.1487 -12.7958 36.1488 -31.9908 GPRESSAVG: 3773600 21.3477 11.264 -12.7299 8.53424 17.7656 34.9738 -10.8283 38.2916 -33.7838 TIMING: 3773600 CPU: 11352.5, 0.00301584/step Wall: 11352.5, 0.00301584/step, 1.0274 hours remaining, 209.632812 MB of memory in use. ENERGY: 3773600 749.0457 2102.6481 1967.7189 128.8559 -206442.0021 17943.1208 0.0000 0.0000 34393.2626 -149157.3501 300.3649 -183550.6127 -149061.3149 300.0671 -74.4679 -38.9266 557708.8501 1.9790 1.7765 PRESSURE: 3773800 -96.7038 70.9736 -195.865 70.9752 99.1988 43.1262 -195.865 43.1273 -76.4069 GPRESSURE: 3773800 -57.4112 33.8377 -235.004 81.7926 159.693 -91.4359 -97.972 201.43 -58.0979 PRESSAVG: 3773800 14.5715 -13.7196 -9.25376 -13.7196 22.4598 11.7158 -9.25375 11.7158 -20.6314 GPRESSAVG: 3773800 14.3919 -14.0494 -8.22345 -15.3783 22.8322 12.2183 -10.4205 11.266 -20.8556 TIMING: 3773800 CPU: 11353.1, 0.00300523/step Wall: 11353.1, 0.00300523/step, 1.02362 hours remaining, 209.632812 MB of memory in use. ENERGY: 3773800 740.2860 2089.9959 1970.6186 111.9039 -206794.7727 18113.9871 0.0000 0.0000 34373.7414 -149394.2398 300.1944 -183767.9812 -149298.8751 299.7875 -24.6373 14.7279 558653.5390 5.4666 5.4562 PRESSURE: 3774000 278.278 -76.1549 31.9761 -76.1556 10.9606 63.4393 31.9755 63.4398 76.7921 GPRESSURE: 3774000 318.137 12.5285 157.191 -167.865 14.2429 98.3648 2.25115 17.2753 142.662 PRESSAVG: 3774000 -82.6888 -25.356 -59.9337 -25.356 48.4195 24.0792 -59.9337 24.0792 -23.5762 GPRESSAVG: 3774000 -82.7193 -25.6813 -58.9996 -21.4914 47.9113 24.9109 -59.5794 23.6906 -22.6243 TIMING: 3774000 CPU: 11353.7, 0.0029956/step Wall: 11353.7, 0.0029956/step, 1.02017 hours remaining, 209.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3774000 752.0526 2116.2344 1939.5326 111.5481 -206527.5043 18073.5960 0.0000 0.0000 34203.6385 -149330.9023 298.7089 -183534.5408 -149235.8083 299.2989 122.0103 158.3473 557228.4007 -19.2819 -19.1441 PRESSURE: 3774200 -0.526343 2.94942 -160.817 2.94959 -157.641 -29.6734 -160.817 -29.6726 -110.964 GPRESSURE: 3774200 16.9107 -11.2998 -241.55 -36.1736 -98.6035 -8.17756 -125.469 -35.9176 -87.0938 PRESSAVG: 3774200 7.31274 12.0907 -21.5449 12.0908 -8.69419 56.5589 -21.5448 56.5588 23.2434 GPRESSAVG: 3774200 6.9248 11.4499 -24.6267 11.3341 -7.96004 55.3673 -19.7081 58.1075 22.8879 TIMING: 3774200 CPU: 11354.3, 0.00296255/step Wall: 11354.3, 0.00296255/step, 1.00875 hours remaining, 209.632812 MB of memory in use. ENERGY: 3774200 763.8739 2121.0765 1927.4435 111.6339 -206651.9446 17984.1550 0.0000 0.0000 34285.8924 -149457.8694 299.4272 -183743.7618 -149357.2652 298.9409 -89.7104 -56.2622 557646.4360 7.2873 7.2842 PRESSURE: 3774400 260.388 158.563 -80.2337 158.564 377.417 -29.7671 -80.233 -29.7703 -94.4826 GPRESSURE: 3774400 277.949 204.86 -158.002 160.06 433.986 35.6068 -38.2265 7.25784 -68.5565 PRESSAVG: 3774400 53.7155 -50.4344 -1.81817 -50.4342 32.9064 0.445966 -1.81813 0.445963 -83.2979 GPRESSAVG: 3774400 54.0822 -49.5737 -1.3029 -52.9881 32.4008 1.78035 -3.03413 -0.857201 -83.0663 TIMING: 3774400 CPU: 11354.9, 0.00296493/step Wall: 11354.9, 0.00296493/step, 1.0094 hours remaining, 209.632812 MB of memory in use. ENERGY: 3774400 760.4775 2086.8738 1928.3984 122.5975 -206731.5534 18114.6325 0.0000 0.0000 34129.9294 -149588.6443 298.0652 -183718.5737 -149494.2127 298.2783 181.1077 214.4593 556756.3059 1.1080 1.1389 PRESSURE: 3774600 -28.9328 -53.9543 -94.8059 -53.9532 286.483 71.6067 -94.8057 71.6067 11.3241 GPRESSURE: 3774600 -19.1428 -45.6133 -105.256 -82.2777 319.662 79.6101 -66.1838 117.52 63.5128 PRESSAVG: 3774600 14.8501 -37.9631 -40.2237 -37.963 31.6655 34.1492 -40.2237 34.1492 -54.7178 GPRESSAVG: 3774600 15.2664 -38.4815 -37.9026 -37.7906 31.8244 33 -41.9105 33.7589 -55.6647 TIMING: 3774600 CPU: 11355.5, 0.00298147/step Wall: 11355.5, 0.00298147/step, 1.01486 hours remaining, 209.632812 MB of memory in use. ENERGY: 3774600 727.7105 2096.6216 1938.2065 111.5945 -206472.1982 17917.6136 0.0000 0.0000 34259.7943 -149420.6572 299.1993 -183680.4515 -149323.2683 298.4314 89.6248 121.3441 556360.1437 -2.7341 -2.8580 PRESSURE: 3774800 -100.586 -77.5992 -49.098 -77.5979 -52.398 88.4665 -49.0976 88.4675 -127.467 GPRESSURE: 3774800 -95.7458 -5.53866 -115.709 -56.4274 -4.87942 122.183 88.3202 69.7695 -83.2558 PRESSAVG: 3774800 -70.6491 -61.8965 -48.4155 -61.8966 102.942 25.4137 -48.4154 25.4137 -31.8667 GPRESSAVG: 3774800 -71.6096 -62.8889 -48.623 -61.656 102.208 25.1129 -48.8974 25.9968 -30.9558 TIMING: 3774800 CPU: 11356.1, 0.00299823/step Wall: 11356.1, 0.00299823/step, 1.0204 hours remaining, 209.632812 MB of memory in use. ENERGY: 3774800 778.5912 2105.6753 1946.0760 105.2393 -206208.7829 17685.4841 0.0000 0.0000 34067.6627 -149520.0543 297.5214 -183587.7170 -149428.3884 298.9541 -93.4835 -61.2937 557334.8464 0.1419 -0.1191 PRESSURE: 3775000 -88.7402 10.19 37.5871 10.1902 -18.4094 -77.3379 37.5877 -77.3374 129.283 GPRESSURE: 3775000 -76.9613 -39.4571 2.08118 29.0162 26.2967 -82.1694 -69.3051 -68.784 179.395 PRESSAVG: 3775000 11.6089 -17.6217 -36.7468 -17.6218 4.36918 19.4994 -36.7469 19.4994 -3.17908 GPRESSAVG: 3775000 10.5976 -17.3637 -37.4732 -17.1986 4.95676 19.4765 -36.7795 19.8982 -2.22224 TIMING: 3775000 CPU: 11356.7, 0.00304357/step Wall: 11356.7, 0.00304357/step, 1.03566 hours remaining, 209.632812 MB of memory in use. ENERGY: 3775000 768.5312 2018.5206 1934.5682 111.1258 -206290.4617 17810.0972 0.0000 0.0000 34236.5447 -149411.0740 298.9963 -183647.6187 -149322.2466 298.8603 7.3779 42.9102 556512.8104 4.2664 4.4441 PRESSURE: 3775200 6.03932 212.881 -180.338 212.881 -69.036 53.4891 -180.338 53.4915 -152.476 GPRESSURE: 3775200 30.074 196.846 -92.9901 179.713 -71.2655 54.0363 -155.875 86.2832 -88.7891 PRESSAVG: 3775200 14.186 30.9656 -70.7317 30.9656 -4.379 -0.767022 -70.7317 -0.767121 -32.1554 GPRESSAVG: 3775200 15.3764 31.1794 -69.4662 32.0359 -5.29187 -0.254477 -70.3231 -1.952 -32.7983 TIMING: 3775200 CPU: 11357.3, 0.0030307/step Wall: 11357.3, 0.0030307/step, 1.03111 hours remaining, 209.632812 MB of memory in use. ENERGY: 3775200 749.2780 2085.6733 1948.0216 103.1301 -206382.8667 17921.3398 0.0000 0.0000 34265.6631 -149309.7608 299.2506 -183575.4240 -149210.1918 299.6560 -71.8242 -43.3269 558211.9637 -7.4495 -7.5713 PRESSURE: 3775400 -70.1299 78.6411 124.107 78.6409 -90.9042 269.724 124.107 269.725 -103.175 GPRESSURE: 3775400 -5.01861 3.95825 135.574 102.449 -37.4163 228.462 20.2079 211.357 -128.876 PRESSAVG: 3775400 -20.951 14.6928 -11.7494 14.6929 -15.4119 24.5888 -11.7494 24.5887 53.2448 GPRESSAVG: 3775400 -21.4518 16.109 -13.9922 12.4979 -15.1133 25.0169 -11.5004 23.8777 53.6836 TIMING: 3775400 CPU: 11357.9, 0.00298758/step Wall: 11357.9, 0.00298758/step, 1.01628 hours remaining, 209.632812 MB of memory in use. ENERGY: 3775400 782.5387 2086.6136 1949.9633 104.8688 -206371.3121 17882.7107 0.0000 0.0000 34315.2218 -149249.3952 299.6834 -183564.6171 -149146.8706 299.6102 -88.0697 -57.1036 558498.0281 5.6273 5.7062 PRESSURE: 3775600 -265.461 88.3979 83.2932 88.3978 107.565 248.264 83.2944 248.263 -69.1886 GPRESSURE: 3775600 -276.733 84.7641 41.677 73.1121 129.555 275.55 169.551 181.743 5.61422 PRESSAVG: 3775600 -18.1251 0.30204 4.68624 0.301959 23.0751 13.7368 4.68636 13.7367 -0.304063 GPRESSAVG: 3775600 -19.303 -1.74118 6.49732 0.538643 23.9384 13.1176 4.43836 13.4864 -0.744362 TIMING: 3775600 CPU: 11358.5, 0.00303028/step Wall: 11358.5, 0.00303029/step, 1.03063 hours remaining, 209.632812 MB of memory in use. ENERGY: 3775600 747.1139 2081.0264 1949.7465 113.7905 -206205.0701 17745.8708 0.0000 0.0000 34240.8580 -149326.6639 299.0339 -183567.5219 -149228.0393 299.3632 -75.6951 -47.1881 558819.2124 1.5486 1.2970 PRESSURE: 3775800 -333.643 48.1021 -39.1122 48.1025 -59.3898 80.5184 -39.1114 80.5165 -262.828 GPRESSURE: 3775800 -272.476 53.0271 -37.4488 111.043 -89.8865 125.811 10.3997 -10.6489 -189.332 PRESSAVG: 3775800 -58.007 11.1892 52.3268 11.1892 67.4919 49.4304 52.3268 49.4304 -13.656 GPRESSAVG: 3775800 -56.2058 12.5625 52.341 12.9259 66.1088 49.6139 52.947 50.3735 -14.0697 TIMING: 3775800 CPU: 11359.1, 0.00300739/step Wall: 11359.1, 0.00300739/step, 1.02268 hours remaining, 209.632812 MB of memory in use. ENERGY: 3775800 729.1208 2106.9987 1954.6751 114.7948 -206292.7313 17685.0663 0.0000 0.0000 34326.6951 -149375.3805 299.7836 -183702.0755 -149287.0067 298.8985 -218.6203 -183.8979 557785.4845 -1.3903 -1.3889 PRESSURE: 3776000 -37.7782 -7.56805 62.2674 -7.56871 -34.5021 155.358 62.2675 155.357 -471.895 GPRESSURE: 3776000 -9.19984 -7.75173 83.703 -24.6123 -36.4671 92.5047 48.1782 124.858 -394.128 PRESSAVG: 3776000 4.83252 -0.077166 -27.816 -0.0772396 -10.6166 -1.5124 -27.816 -1.51238 15.9212 GPRESSAVG: 3776000 5.25635 0.806651 -26.985 -1.95331 -9.56764 -0.350327 -27.5189 -0.811021 14.7688 TIMING: 3776000 CPU: 11359.7, 0.00299753/step Wall: 11359.7, 0.00299753/step, 1.01916 hours remaining, 209.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3776000 729.2239 2059.1347 1909.7872 110.1897 -206267.5495 17656.6295 0.0000 0.0000 34389.4769 -149413.1076 300.3319 -183802.5845 -149312.5742 299.1881 -181.3916 -146.5982 557714.3672 3.3790 3.4858 PRESSURE: 3776200 135.56 41.7566 -38.2501 41.7551 -145.998 -74.8228 -38.2506 -74.8223 -158.153 GPRESSURE: 3776200 158.442 81.363 -89.78 24.5756 -82.3051 -61.649 -15.4415 -35.4759 -140.503 PRESSAVG: 3776200 53.9067 24.6061 -14.1637 24.6061 -6.07854 15.6 -14.1637 15.5999 -51.0717 GPRESSAVG: 3776200 52.6302 23.2675 -14.6534 25.937 -6.28154 14.2809 -14.5069 14.9592 -50.1611 TIMING: 3776200 CPU: 11360.3, 0.00298206/step Wall: 11360.3, 0.00298206/step, 1.01373 hours remaining, 209.632812 MB of memory in use. ENERGY: 3776200 732.2733 2056.9970 1957.7337 110.4996 -206386.9908 17995.2842 0.0000 0.0000 34278.5985 -149255.6046 299.3635 -183534.2031 -149163.1118 299.6415 -56.1972 -21.4553 558878.7403 -1.0812 -1.2708 LDB: ============= START OF LOAD BALANCING ============== 11363.8 LDB: ============== END OF LOAD BALANCING =============== 11363.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11363.8 LDB: ============= START OF LOAD BALANCING ============== 11364.1 LDB: Largest compute 4802 load 0.030321 is 25.6% of average load 0.118296 LDB: Average compute 0.001722 is 1.5% of average load 0.118296 LDB: TIME 11364.1 LOAD: AVG 0.118296 MAX 0.210347 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.195 MB LDB: TIME 11364.1 LOAD: AVG 0.118296 MAX 0.210347 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.195 MB LDB: TIME 11364.1 LOAD: AVG 0.118296 MAX 0.210347 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.195 MB LDB: ============== END OF LOAD BALANCING =============== 11364.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11364.1 PRESSURE: 3776400 -292.305 34.0178 66.9404 34.0188 -73.7402 2.76911 66.9404 2.76963 24.5796 GPRESSURE: 3776400 -230.367 90.3426 23.2513 -65.2085 -84.3843 -129.986 56.9502 97.723 73.1666 PRESSAVG: 3776400 -5.92771 -35.8546 12.398 -35.8546 47.684 49.7913 12.3981 49.7913 -71.3501 GPRESSAVG: 3776400 -5.99147 -34.7366 13.0754 -36.7923 46.9911 48.4462 11.3257 51.1748 -70.9998 TIMING: 3776400 CPU: 11360.9, 0.00304821/step Wall: 11360.9, 0.00304821/step, 1.03605 hours remaining, 209.199219 MB of memory in use. ENERGY: 3776400 707.8486 2066.2131 1951.2201 112.0069 -206025.3349 17587.8228 0.0000 0.0000 34413.5503 -149186.6731 300.5421 -183600.2234 -149086.1720 299.1994 -113.8217 -80.5284 557499.2116 -9.8646 -10.0001 PRESSURE: 3776600 -110.318 -59.9941 37.3354 -59.9955 8.21539 86.6472 37.3354 86.6474 -4.84659 GPRESSURE: 3776600 -65.0353 -52.5418 104.328 -84.2179 32.541 171.791 29.0758 50.5347 24.6189 PRESSAVG: 3776600 2.11335 22.7402 56.0943 22.7401 -39.5104 11.9941 56.0944 11.994 -0.0185115 GPRESSAVG: 3776600 1.28574 21.4029 55.5647 24.2523 -38.2652 13.5823 56.4039 11.4947 -0.759872 TIMING: 3776600 CPU: 11361.5, 0.00299165/step Wall: 11361.5, 0.00299165/step, 1.01666 hours remaining, 209.402344 MB of memory in use. ENERGY: 3776600 753.7967 2026.6569 1937.6168 116.7360 -205799.8309 17498.7625 0.0000 0.0000 34223.8867 -149242.3754 298.8857 -183466.2621 -149151.0915 299.4923 -35.6497 -2.6252 557303.8311 -12.4719 -12.5798 PRESSURE: 3776800 179.309 -31.2875 -28.6022 -31.2877 -36.33 313.598 -28.602 313.597 -330.513 GPRESSURE: 3776800 205.043 -30.4162 27.8837 -24.0341 41.2547 302.007 -71.6591 297.778 -317.387 PRESSAVG: 3776800 46.2336 -12.2053 66.3012 -12.2053 1.63427 3.12764 66.3012 3.12771 2.62861 GPRESSAVG: 3776800 47.0165 -13.3552 65.864 -11.0867 0.985562 4.64434 65.9844 0.598555 2.28139 TIMING: 3776800 CPU: 11362.1, 0.00298188/step Wall: 11362.1, 0.00298188/step, 1.01318 hours remaining, 209.402344 MB of memory in use. ENERGY: 3776800 751.0447 2055.8567 1970.7802 119.8117 -206105.7531 17751.9217 0.0000 0.0000 34331.7323 -149124.6057 299.8276 -183456.3380 -149028.0270 299.1484 -62.5113 -23.6965 557992.9877 16.8322 16.7611 PRESSURE: 3777000 122.955 -84.6021 97.3194 -84.6023 273.63 44.7374 97.3184 44.7375 112.67 GPRESSURE: 3777000 147.423 -6.18545 96.141 -169.724 334.823 18.3528 109.041 25.61 136.351 PRESSAVG: 3777000 15.2982 -25.1048 34.7089 -25.1048 43.8946 53.4105 34.7089 53.4105 -43.5262 GPRESSAVG: 3777000 15.3103 -22.5872 35.0643 -28.9052 42.1924 54.3119 34.2979 55.0733 -41.9521 TIMING: 3777000 CPU: 11362.7, 0.00297549/step Wall: 11362.7, 0.00297549/step, 1.01084 hours remaining, 209.402344 MB of memory in use. ENERGY: 3777000 748.3201 2076.1260 1903.9793 110.4092 -206552.0153 18171.8361 0.0000 0.0000 34414.0588 -149127.2857 300.5465 -183541.3445 -149034.3808 299.6747 169.7515 206.1991 558380.4562 5.2222 5.1835 PRESSURE: 3777200 -229.474 -44.6168 -89.3934 -44.6183 -177.341 32.2657 -89.3924 32.2667 -189.48 GPRESSURE: 3777200 -146.287 74.0632 -48.3174 -74.8935 -178.429 19.8731 -40.6943 -30.8377 -167.518 PRESSAVG: 3777200 -84.8147 -19.9815 26.4593 -19.9816 110.454 9.48011 26.4593 9.4801 -24.8012 GPRESSAVG: 3777200 -84.8192 -21.3462 26.2202 -18.8231 110.392 7.43085 26.5302 7.82216 -24.6453 TIMING: 3777200 CPU: 11363.3, 0.00299307/step Wall: 11363.3, 0.00299307/step, 1.01665 hours remaining, 209.402344 MB of memory in use. ENERGY: 3777200 762.0417 2069.5346 1941.1384 122.2638 -206193.3442 17494.7152 0.0000 0.0000 34503.7225 -149299.9282 301.3296 -183803.6506 -149195.1192 299.9623 -198.7650 -164.0779 558492.3873 0.2793 0.3092 PRESSURE: 3777400 89.9253 84.2598 -16.8333 84.2597 -137.622 -36.9815 -16.8336 -36.9814 -288.168 GPRESSURE: 3777400 117.827 79.353 -52.2894 67.263 -107.78 -66.7627 129.883 -9.41348 -234.818 PRESSAVG: 3777400 30.4547 35.3617 43.0095 35.3616 25.5016 -6.38713 43.0095 -6.38709 -46.826 GPRESSAVG: 3777400 30.7523 36.212 40.0585 34.2218 26.5311 -6.33916 45.6394 -4.7678 -47.5103 TIMING: 3777400 CPU: 11363.9, 0.00296562/step Wall: 11363.9, 0.00296562/step, 1.00716 hours remaining, 209.402344 MB of memory in use. ENERGY: 3777400 742.6490 2091.3062 1932.5400 114.5555 -206056.4925 17794.3195 0.0000 0.0000 34292.4628 -149088.6595 299.4846 -183381.1223 -148992.3351 299.1437 -111.9549 -74.9236 558693.9996 3.0434 3.2577 PRESSURE: 3777600 -122.372 19.7856 -61.8843 19.7864 -446.943 213.121 -61.8842 213.122 -129.678 GPRESSURE: 3777600 -10.0332 -18.8367 -59.0569 35.3524 -488.774 149.094 14.8758 170.956 -87.7404 PRESSAVG: 3777600 71.1833 5.22369 -10.0838 5.22368 -50.1176 -3.24879 -10.0839 -3.24875 -44.1726 GPRESSAVG: 3777600 70.961 5.07289 -6.50509 6.46364 -50.4119 -4.21572 -12.5036 -3.01253 -43.4159 TIMING: 3777600 CPU: 11364.5, 0.0029747/step Wall: 11364.5, 0.0029747/step, 1.01008 hours remaining, 209.402344 MB of memory in use. ENERGY: 3777600 781.0088 2085.9947 1909.5651 114.4280 -206098.3839 17618.2213 0.0000 0.0000 34538.1050 -149051.0609 301.6299 -183589.1659 -148950.5648 299.8553 -232.9976 -195.5157 558800.6458 -7.7023 -7.6223 PRESSURE: 3777800 2.23671 -13.2889 -13.0624 -13.2881 -45.8581 228.977 -13.0629 228.977 -103.073 GPRESSURE: 3777800 71.2683 49.8742 -37.1536 -29.7642 -65.3727 235.125 42.862 221.755 -46.6516 PRESSAVG: 3777800 21.3378 -24.2271 -34.5927 -24.2271 -62.597 40.0316 -34.5928 40.0316 10.4532 GPRESSAVG: 3777800 21.2435 -25.4557 -36.4494 -23.1544 -62.6196 38.9969 -35.5594 40.0215 10.4158 TIMING: 3777800 CPU: 11365.1, 0.00298121/step Wall: 11365.1, 0.00298121/step, 1.01212 hours remaining, 209.402344 MB of memory in use. ENERGY: 3777800 751.4558 2064.3083 1953.1439 119.8120 -205858.7338 17732.2193 0.0000 0.0000 34262.4751 -148975.3193 299.2227 -183237.7944 -148879.1232 300.0188 -48.8981 -13.5853 559163.9786 -10.2687 -10.3201 PRESSURE: 3778000 108.633 90.9833 -42.9664 90.983 116.129 119.706 -42.966 119.708 166.872 GPRESSURE: 3778000 138.732 75.3736 -105.441 35.495 201.258 118.811 -24.7741 159.381 144.416 PRESSAVG: 3778000 -24.8643 24.4383 -43.6543 24.4383 18.5589 -3.66874 -43.6543 -3.66875 -9.46269 GPRESSAVG: 3778000 -25.0153 25.7131 -44.345 22.831 18.6747 -1.08131 -42.1194 -3.16839 -9.464 TIMING: 3778000 CPU: 11365.7, 0.00298996/step Wall: 11365.7, 0.00298996/step, 1.01493 hours remaining, 209.402344 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: 3778000 724.1070 2057.9072 1944.4177 119.9179 -205975.6725 17895.7750 0.0000 0.0000 34184.7366 -149048.8110 298.5438 -183233.5476 -148954.2537 299.0877 130.5448 161.4686 559051.8413 -5.2560 -5.2682 PRESSURE: 3778200 -21.4039 20.2927 -11.6043 20.2942 -32.12 252.574 -11.604 252.575 64.3492 GPRESSURE: 3778200 -20.3776 99.1658 -11.003 29.7347 -2.11912 273.442 -6.13249 184.323 136.501 PRESSAVG: 3778200 4.5967 45.3167 -13.7124 45.3167 20.9642 23.4494 -13.7125 23.4494 23.4585 GPRESSAVG: 3778200 3.91305 45.6456 -15.0615 44.4401 21.6928 23.6298 -14.7712 21.022 23.0825 TIMING: 3778200 CPU: 11366.3, 0.00298205/step Wall: 11366.3, 0.00298205/step, 1.01207 hours remaining, 209.402344 MB of memory in use. ENERGY: 3778200 757.7471 2067.6927 1922.9463 120.4752 -206232.3787 17808.1404 0.0000 0.0000 34403.2248 -149152.1523 300.4519 -183555.3771 -149050.6207 299.1099 3.6085 38.0015 558647.1380 16.3398 16.2295 PRESSURE: 3778400 -190.821 130.971 19.0205 130.97 -144.499 -70.3409 19.0207 -70.3413 -394.613 GPRESSURE: 3778400 -170.665 141.857 44.8898 16.9066 -105.39 -51.3864 17.8843 -122.329 -353.618 PRESSAVG: 3778400 17.8649 28.4428 39.0593 28.4428 -26.1139 -46.536 39.0594 -46.536 -16.3797 GPRESSAVG: 3778400 18.4018 28.1362 40.5078 27.9548 -26.7142 -48.0723 39.6774 -45.063 -15.9697 TIMING: 3778400 CPU: 11366.9, 0.00297661/step Wall: 11366.9, 0.00297661/step, 1.01006 hours remaining, 209.402344 MB of memory in use. ENERGY: 3778400 734.3834 2040.1781 1936.6939 100.5026 -205832.4298 17543.8011 0.0000 0.0000 34376.9789 -149099.8918 300.2227 -183476.8708 -148996.7966 299.3827 -243.3109 -209.8911 558816.2018 -8.2096 -8.0940 PRESSURE: 3778600 -103.245 105.669 97.3534 105.669 82.1872 -228.007 97.3531 -228.008 130.124 GPRESSURE: 3778600 -30.4204 51.5504 53.4141 138.274 156.613 -293.929 64.197 -138.205 93.826 PRESSAVG: 3778600 90.3197 12.7269 17.2877 12.727 -9.14803 -29.5618 17.2876 -29.5618 -56.2851 GPRESSAVG: 3778600 91.9257 12.6012 17.2109 13.2295 -9.88066 -29.5697 18.7785 -30.3769 -56.6767 TIMING: 3778600 CPU: 11367.5, 0.00298667/step Wall: 11367.5, 0.00298667/step, 1.01331 hours remaining, 209.402344 MB of memory in use. ENERGY: 3778600 712.0454 2067.7871 1927.9416 100.9492 -206301.0103 18052.7115 0.0000 0.0000 34237.5227 -149202.0528 299.0048 -183439.5755 -149099.7131 299.4863 36.3552 73.3397 559324.4246 8.2955 8.4561 PRESSURE: 3778800 -250.693 -17.6239 -135.563 -17.6246 -161.212 50.8632 -135.562 50.8642 60.9191 GPRESSURE: 3778800 -199.718 70.6 -68.6423 -2.57644 -162.777 18.4657 -135.914 6.44294 107.53 PRESSAVG: 3778800 3.97357 -35.2628 -28.2766 -35.2628 -32.905 -60.9061 -28.2767 -60.9061 21.5988 GPRESSAVG: 3778800 3.45147 -35.9949 -27.5477 -33.721 -31.9525 -58.7801 -29.5251 -59.0298 22.1466 TIMING: 3778800 CPU: 11368.1, 0.0029704/step Wall: 11368.1, 0.0029704/step, 1.00763 hours remaining, 209.402344 MB of memory in use. ENERGY: 3778800 741.5856 2073.9838 1941.8479 97.8962 -205985.2425 17752.8544 0.0000 0.0000 34261.5161 -149115.5584 299.2143 -183377.0746 -149011.9615 299.8802 -116.9954 -84.9880 558316.4118 -2.4442 -2.1181 PRESSURE: 3779000 -225.315 5.71875 129.298 5.71968 -201.078 -34.2758 129.3 -34.2743 72.3264 GPRESSURE: 3779000 -196.14 -13.3816 125.468 24.3792 -188.024 11.6296 81.3053 -71.4993 128.536 PRESSAVG: 3779000 -22.8368 -1.23144 11.3655 -1.23137 -5.48402 7.92058 11.3655 7.92055 -3.94047 GPRESSAVG: 3779000 -24.1188 -2.098 9.41289 -0.890717 -4.87196 5.13342 12.8169 6.53113 -4.03155 TIMING: 3779000 CPU: 11368.7, 0.00297082/step Wall: 11368.7, 0.00297082/step, 1.0076 hours remaining, 209.402344 MB of memory in use. ENERGY: 3779000 790.0777 2028.6969 1937.4881 121.2246 -206072.2723 17631.3039 0.0000 0.0000 34452.8180 -149110.6630 300.8850 -183563.4811 -149010.5751 300.2267 -118.0224 -85.2094 556499.2013 -10.7538 -11.0074 PRESSURE: 3779200 7.6109 52.0894 116.269 52.0886 -258.931 -14.6534 116.269 -14.6519 -72.3198 GPRESSURE: 3779200 17.2656 84.9021 160.422 -41.923 -225.527 29.7119 109.869 30.1438 -13.2149 PRESSAVG: 3779200 48.0466 -42.2468 24.2327 -42.2467 -34.3033 6.72494 24.2328 6.72493 4.89415 GPRESSAVG: 3779200 48.0526 -42.103 24.2118 -43.1346 -34.2942 9.6118 24.5788 6.82813 4.81158 TIMING: 3779200 CPU: 11369.3, 0.00299016/step Wall: 11369.3, 0.00299016/step, 1.014 hours remaining, 209.402344 MB of memory in use. ENERGY: 3779200 752.3546 2083.8210 1918.8320 109.0121 -205807.2002 17615.1483 0.0000 0.0000 34187.0624 -149140.9698 298.5641 -183328.0322 -149047.6270 299.4534 -107.8801 -73.8253 556228.3913 6.2125 6.1900 PRESSURE: 3779400 -397.061 129.214 32.4305 129.217 -50.1097 111.939 32.4297 111.939 137.869 GPRESSURE: 3779400 -398.482 148.151 28.0532 35.9209 -33.582 104.574 84.5318 90.1268 221.405 PRESSAVG: 3779400 -56.6676 3.82639 85.5957 3.82634 66.7507 -17.351 85.5957 -17.351 -25.3665 GPRESSAVG: 3779400 -57.8437 4.11456 86.2422 3.07192 66.4841 -19.5243 83.3765 -17.3875 -24.13 TIMING: 3779400 CPU: 11369.9, 0.00298864/step Wall: 11369.9, 0.00298864/step, 1.01332 hours remaining, 209.402344 MB of memory in use. ENERGY: 3779400 740.1965 2081.6953 1937.4118 116.3434 -206260.7355 17788.7483 0.0000 0.0000 34417.8312 -149178.5090 300.5795 -183596.3402 -149068.0446 299.4143 -103.1008 -70.2199 557274.4346 -5.0945 -5.1632 PRESSURE: 3779600 58.6976 159.062 -6.28357 159.061 113.934 -72.7794 -6.28312 -72.7799 320.106 GPRESSURE: 3779600 73.2091 155.253 -66.3856 181.929 112.6 -45.6813 103.978 -124.336 399.118 PRESSAVG: 3779600 -48.9135 53.62 -11.6014 53.6202 -52.956 -10.3159 -11.6014 -10.3158 79.9732 GPRESSAVG: 3779600 -48.0196 55.5374 -10.8173 52.2721 -53.017 -10.264 -11.264 -9.52557 79.3141 TIMING: 3779600 CPU: 11370.5, 0.00303009/step Wall: 11370.5, 0.00303009/step, 1.0272 hours remaining, 209.402344 MB of memory in use. ENERGY: 3779600 707.7796 2144.9943 1930.7719 100.6577 -206355.2498 18039.3320 0.0000 0.0000 34209.6352 -149222.0790 298.7613 -183431.7142 -149126.5275 299.6751 164.2458 194.9757 557530.1586 -7.2988 -7.2409 PRESSURE: 3779800 250.617 -112.272 -54.4943 -112.271 -38.3381 34.8239 -54.4936 34.8233 253.144 GPRESSURE: 3779800 312.801 -11.0003 -93.5607 -152.726 4.28138 34.3615 -65.7918 55.1364 244.114 PRESSAVG: 3779800 -32.8692 9.76488 14.7985 9.7648 33.5434 -13.1882 14.7985 -13.1883 -14.8719 GPRESSAVG: 3779800 -31.837 8.11511 14.1943 11.0201 32.3055 -12.2164 15.4042 -14.5404 -15.0501 TIMING: 3779800 CPU: 11371.1, 0.0030123/step Wall: 11371.1, 0.0030123/step, 1.021 hours remaining, 209.402344 MB of memory in use. ENERGY: 3779800 774.1758 2102.2091 1899.1986 123.3361 -206227.5853 17973.9490 0.0000 0.0000 34320.1091 -149034.6076 299.7260 -183354.7167 -148936.6750 299.2438 155.1411 187.0654 556561.6912 -4.7326 -4.8605 PRESSURE: 3780000 58.8029 -20.5269 -116.279 -20.5275 206.454 -76.9719 -116.278 -76.972 45.6747 GPRESSURE: 3780000 156.85 -63.42 -88.174 58.5614 194.518 -87.5338 -181.047 -41.9679 71.6123 PRESSAVG: 3780000 21.8679 -20.8493 7.53997 -20.8494 -72.0015 4.56738 7.53998 4.5673 39.0831 GPRESSAVG: 3780000 21.5123 -20.0638 7.58946 -18.8354 -72.0718 3.166 6.80082 5.72021 39.9075 TIMING: 3780000 CPU: 11371.7, 0.00297877/step Wall: 11371.7, 0.00297877/step, 1.00947 hours remaining, 209.523438 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: 3780000 784.5454 2116.8593 1927.8177 113.4335 -206877.0349 18332.7255 0.0000 0.0000 34630.9285 -148970.7250 302.4405 -183601.6535 -148873.5184 299.7954 103.6440 140.9935 557857.5152 -3.6835 -3.5507 PRESSURE: 3780200 -184.98 96.7951 -45.6424 96.7942 -135.532 71.4025 -45.6422 71.4018 -128.661 GPRESSURE: 3780200 -177.191 83.4591 -123.024 125.314 -87.315 42.1461 116.909 147.77 -97.0709 PRESSAVG: 3780200 49.1925 34.1823 -10.1198 34.1823 -3.32833 49.3152 -10.1198 49.3151 -44.1503 GPRESSAVG: 3780200 48.695 34.5352 -9.06678 32.0258 -1.65282 50.2027 -9.35598 49.8456 -45.2634 TIMING: 3780200 CPU: 11372.3, 0.00300608/step Wall: 11372.3, 0.00300608/step, 1.01856 hours remaining, 209.523438 MB of memory in use. ENERGY: 3780200 748.1626 2092.3585 1894.4163 110.9293 -205937.3354 17869.3440 0.0000 0.0000 34157.7085 -149064.4161 298.3078 -183222.1245 -148963.8756 299.4124 -149.7243 -120.5254 559212.7354 0.5713 0.5929 LDB: ============= START OF LOAD BALANCING ============== 11375.8 LDB: ============== END OF LOAD BALANCING =============== 11375.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11375.8 LDB: ============= START OF LOAD BALANCING ============== 11376.1 LDB: Largest compute 4802 load 0.032832 is 27.8% of average load 0.118222 LDB: Average compute 0.001720 is 1.5% of average load 0.118222 LDB: TIME 11376.1 LOAD: AVG 0.118222 MAX 0.211011 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.414 MB LDB: TIME 11376.1 LOAD: AVG 0.118222 MAX 0.211011 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.414 MB LDB: TIME 11376.1 LOAD: AVG 0.118222 MAX 0.211011 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.414 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11376.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11376.1 PRESSURE: 3780400 123.108 19.3284 109.561 19.3289 -114.064 -23.2317 109.561 -23.2324 -173.874 GPRESSURE: 3780400 139.094 129.811 112.789 -68.9308 -60.6779 -20.024 -26.6671 -41.5162 -155.488 PRESSAVG: 3780400 29.7092 77.5665 -10.558 77.5665 -24.463 -28.1788 -10.5579 -28.1789 -21.4773 GPRESSAVG: 3780400 31.2271 76.9633 -10.4161 77.7439 -25.7437 -28.8209 -9.97613 -29.2389 -21.5784 TIMING: 3780400 CPU: 11372.9, 0.00307658/step Wall: 11372.9, 0.00307658/step, 1.04228 hours remaining, 209.992188 MB of memory in use. ENERGY: 3780400 683.4523 2053.4341 1958.7434 123.1966 -205997.9860 17737.0111 0.0000 0.0000 34427.0029 -149015.1455 300.6596 -183442.1484 -148914.0905 298.7898 -54.9433 -25.6905 559485.3339 -5.4104 -5.3650 PRESSURE: 3780600 195.069 -35.1492 -51.4408 -35.1499 -10.9078 -76.105 -51.4394 -76.1045 92.57 GPRESSURE: 3780600 181.884 23.8432 -61.8206 -38.1143 32.0386 -98.3581 -66.301 -93.8628 157.747 PRESSAVG: 3780600 73.2469 57.43 27.2862 57.43 -6.56333 -21.3991 27.2862 -21.3992 -60.5642 GPRESSAVG: 3780600 72.0518 56.3731 25.5368 57.4008 -5.37293 -21.0125 27.6821 -22.6723 -60.1929 TIMING: 3780600 CPU: 11373.5, 0.00300728/step Wall: 11373.5, 0.00300728/step, 1.01863 hours remaining, 210.363281 MB of memory in use. ENERGY: 3780600 740.2954 2096.4305 1925.1873 102.2637 -205887.5451 17776.7343 0.0000 0.0000 34194.4646 -149052.1694 298.6288 -183246.6340 -148955.3192 298.7553 92.2436 123.8899 557412.0920 2.0398 2.1620 PRESSURE: 3780800 -120.03 -29.1309 124.545 -29.1306 -283.683 2.1281 124.544 2.12857 -160.198 GPRESSURE: 3780800 -74.5759 -27.766 112.888 -51.7059 -262.824 39.959 -57.0106 -89.0754 -130.872 PRESSAVG: 3780800 36.8194 45.9649 -38.4366 45.9649 -25.5553 -10.1938 -38.4366 -10.1937 -30.4374 GPRESSAVG: 3780800 36.8645 48.5944 -39.0588 44.3882 -26.2123 -11.8429 -41.3426 -9.01364 -30.1399 TIMING: 3780800 CPU: 11374.1, 0.00300984/step Wall: 11374.1, 0.00300984/step, 1.01933 hours remaining, 210.363281 MB of memory in use. ENERGY: 3780800 776.0566 2072.7837 1943.2540 120.1253 -205983.1317 17602.6059 0.0000 0.0000 34292.6018 -149175.7043 299.4858 -183468.3062 -149081.5251 299.1935 -187.9702 -156.0904 557489.8847 -6.3911 -6.4959 PRESSURE: 3781000 -17.0859 84.5754 3.78383 84.5771 -81.6674 64.7155 3.78513 64.7146 105.73 GPRESSURE: 3781000 49.0971 11.4073 21.3663 89.3945 -82.2566 49.2161 -6.64059 89.3191 136.034 PRESSAVG: 3781000 -50.3359 25.2886 47.2147 25.2887 4.13698 6.50588 47.2146 6.50593 -5.68418 GPRESSAVG: 3781000 -49.81 25.2862 47.7238 26.6114 4.10116 8.19478 49.5255 8.41981 -6.31592 TIMING: 3781000 CPU: 11374.7, 0.00301084/step Wall: 11374.7, 0.00301084/step, 1.0195 hours remaining, 210.363281 MB of memory in use. ENERGY: 3781000 726.9038 2068.8163 1930.4586 111.7685 -205741.2225 17744.5178 0.0000 0.0000 34014.6618 -149144.0957 297.0585 -183158.7575 -149047.6908 299.3663 2.3255 34.2914 557800.5967 -17.2944 -17.3416 PRESSURE: 3781200 -290.214 52.4445 -38.231 52.4446 -174.095 -5.09903 -38.2315 -5.09778 -283.237 GPRESSURE: 3781200 -280.301 90.3328 62.8337 0.641011 -144.927 5.11985 -50.6755 -46.2544 -218.723 PRESSAVG: 3781200 28.6277 26.9106 22.3875 26.9106 10.291 53.4034 22.3875 53.4034 13.0103 GPRESSAVG: 3781200 27.5691 24.5428 22.4869 28.1387 10.3992 52.5549 23.2056 52.1116 13.7922 TIMING: 3781200 CPU: 11375.3, 0.00299112/step Wall: 11375.3, 0.00299112/step, 1.01266 hours remaining, 210.363281 MB of memory in use. ENERGY: 3781200 764.5297 2098.6883 1921.8740 111.8746 -205633.7740 17380.3271 0.0000 0.0000 34247.0967 -149109.3836 299.0884 -183356.4802 -149012.0722 300.1677 -249.1821 -214.6503 557374.9462 17.3097 17.2535 PRESSURE: 3781400 46.4774 92.4779 48.5828 92.4793 -173.057 86.0539 48.582 86.0552 -227.056 GPRESSURE: 3781400 90.0861 85.1197 125.715 116.399 -129.407 76.2369 8.94135 55.9994 -213.637 PRESSAVG: 3781400 -26.1886 -0.0976472 26.295 -0.0977392 35.0622 34.4968 26.295 34.4968 15.4211 GPRESSAVG: 3781400 -25.9154 -0.166014 26.8769 1.99477 35.6029 35.8306 24.893 32.3481 13.6938 TIMING: 3781400 CPU: 11375.9, 0.00302599/step Wall: 11375.9, 0.00302599/step, 1.0243 hours remaining, 210.363281 MB of memory in use. ENERGY: 3781400 750.9886 2068.1878 1949.5272 104.1923 -205985.8468 17647.5567 0.0000 0.0000 34422.2041 -149043.1901 300.6177 -183465.3942 -148949.5081 299.4257 -117.8783 -84.3194 558488.6716 8.0983 7.7938 PRESSURE: 3781600 96.0306 -114.246 -35.3843 -114.248 -41.9458 67.772 -35.3846 67.771 -273.751 GPRESSURE: 3781600 112.969 -106.29 -32.6374 -104.228 -2.64867 -52.672 -53.5534 136.564 -238.621 PRESSAVG: 3781600 26.1199 27.8721 47.1351 27.872 -9.08015 23.7662 47.1351 23.7662 -4.93185 GPRESSAVG: 3781600 25.9795 28.0119 45.5687 26.3909 -9.63137 25.0922 49.8397 24.8538 -4.8419 TIMING: 3781600 CPU: 11376.5, 0.00298358/step Wall: 11376.5, 0.00298358/step, 1.00978 hours remaining, 210.363281 MB of memory in use. ENERGY: 3781600 740.2004 2056.7893 1924.7866 102.9163 -206046.2133 17739.2772 0.0000 0.0000 34253.3951 -149228.8484 299.1434 -183482.2435 -149135.9202 299.6791 -73.2220 -42.7670 557805.0625 4.0360 3.8354 PRESSURE: 3781800 -140.441 44.8574 84.1765 44.8583 -84.7044 -81.8007 84.176 -81.8007 -293.58 GPRESSURE: 3781800 -71.4685 61.9353 125.61 -24.0818 -85.9157 -101.704 52.987 -99.086 -267.562 PRESSAVG: 3781800 -29.8757 17.8811 46.4485 17.8811 49.7797 -7.72929 46.4484 -7.72915 -30.0381 GPRESSAVG: 3781800 -29.2624 18.3642 47.0406 19.5416 48.4689 -11.3512 43.5392 -5.42824 -29.1221 TIMING: 3781800 CPU: 11377.1, 0.00301476/step Wall: 11377.1, 0.00301476/step, 1.02016 hours remaining, 210.363281 MB of memory in use. ENERGY: 3781800 786.0560 2045.5102 1944.3008 107.6742 -206005.7222 17600.6450 0.0000 0.0000 34294.1887 -149227.3474 299.4997 -183521.5361 -149123.5564 299.4736 -172.9083 -141.6488 557697.8061 -3.3780 -3.3052 PRESSURE: 3782000 -123.013 19.0104 -18.0332 19.0106 -31.1738 -9.32304 -18.0332 -9.32403 -88.514 GPRESSURE: 3782000 -84.4402 81.2804 -54.7938 -36.2405 -44.9376 -23.3884 23.1369 33.1131 -17.2811 PRESSAVG: 3782000 -18.1272 51.6161 13.6925 51.6162 21.3939 36.7093 13.6926 36.7091 -64.3564 GPRESSAVG: 3782000 -18.7281 53.5902 12.939 49.0249 22.3971 38.5306 13.2367 35.2285 -64.7169 TIMING: 3782000 CPU: 11377.7, 0.00298911/step Wall: 11377.7, 0.00298911/step, 1.01132 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: 3782000 765.9683 2108.9857 1945.2456 119.3388 -206188.9020 17867.4951 0.0000 0.0000 34233.3501 -149148.5184 298.9684 -183381.8685 -149055.1954 299.7032 -80.9004 -48.8863 556846.7623 -20.3632 -20.3493 PRESSURE: 3782200 3.26332 -26.5269 17.0469 -26.5256 -19.5479 36.8476 17.0496 36.8475 -179.369 GPRESSURE: 3782200 24.889 -90.9194 24.3442 63.1488 -21.9208 0.200074 -29.4787 26.3943 -112.139 PRESSAVG: 3782200 60.0071 42.2136 -6.59756 42.2135 40.9701 15.8831 -6.59758 15.8831 -49.1336 GPRESSAVG: 3782200 60.2606 38.6106 -5.05919 45.421 41.1109 17.5753 -6.42984 15.0981 -49.3708 TIMING: 3782200 CPU: 11378.3, 0.00299748/step Wall: 11378.3, 0.00299748/step, 1.01398 hours remaining, 210.363281 MB of memory in use. ENERGY: 3782200 783.4983 2096.0212 1908.2912 101.7086 -206291.9183 17835.5155 0.0000 0.0000 34489.5591 -149077.3243 301.2059 -183566.8834 -148972.1424 300.2338 -65.2179 -36.3901 557871.3338 17.2812 17.3336 PRESSURE: 3782400 -160.959 109.08 -22.8795 109.079 78.1265 -79.7876 -22.8795 -79.7873 -149.758 GPRESSURE: 3782400 -88.4727 13.6692 -6.83141 117.737 100.419 -39.457 -95.3696 -82.2858 -149.518 PRESSAVG: 3782400 -47.4075 60.0995 7.491 60.0995 83.0482 37.2067 7.49096 37.2069 28.5639 GPRESSAVG: 3782400 -46.5843 62.48 7.90429 58.1389 82.3042 36.1398 6.42064 37.933 28.2038 TIMING: 3782400 CPU: 11378.9, 0.00301915/step Wall: 11378.9, 0.00301915/step, 1.02114 hours remaining, 210.363281 MB of memory in use. ENERGY: 3782400 749.9531 2118.0347 1921.2338 102.0624 -205840.3676 17665.0147 0.0000 0.0000 34052.2955 -149231.7735 297.3872 -183284.0690 -149131.1494 299.3710 -77.5303 -45.8573 557017.4593 21.4016 21.3079 PRESSURE: 3782600 194.566 -2.56334 -12.1609 -2.56333 65.9075 -68.4742 -12.1602 -68.4739 -134.416 GPRESSURE: 3782600 249.784 21.6026 -21.6794 8.56654 79.237 127.141 13.0346 -105.721 -100.703 PRESSAVG: 3782600 54.173 68.2937 -18.7246 68.2938 2.14153 -37.8483 -18.7247 -37.8483 -19.3598 GPRESSAVG: 3782600 52.9562 69.0453 -18.5595 66.3734 3.57074 -36.2706 -19.0629 -37.5005 -19.0811 TIMING: 3782600 CPU: 11379.5, 0.00299362/step Wall: 11379.5, 0.00299362/step, 1.01234 hours remaining, 210.363281 MB of memory in use. ENERGY: 3782600 757.1942 2123.5189 1948.5183 106.1613 -206120.3234 17761.9298 0.0000 0.0000 34357.6020 -149065.3989 300.0535 -183423.0009 -148967.7821 299.5791 42.0192 76.1059 556256.8524 12.3182 12.4820 PRESSURE: 3782800 -189.875 40.0503 -46.1209 40.0503 -313.248 -169.357 -46.1224 -169.358 -227.665 GPRESSURE: 3782800 -177.916 84.1903 -74.2989 -28.1986 -273.033 -212.51 37.469 -254.357 -182.65 PRESSAVG: 3782800 27.9948 73.8664 -18.4461 73.8663 13.4932 -32.2388 -18.4461 -32.239 -67.3906 GPRESSAVG: 3782800 29.4642 75.1539 -20.0191 72.3598 12.2777 -34.9893 -18.1899 -34.0575 -68.1623 TIMING: 3782800 CPU: 11380.1, 0.0029885/step Wall: 11380.1, 0.0029885/step, 1.01044 hours remaining, 210.363281 MB of memory in use. ENERGY: 3782800 746.5434 2127.7720 1938.9096 112.8244 -206010.9535 17349.2499 0.0000 0.0000 34546.1011 -149189.5532 301.6997 -183735.6543 -149090.1323 299.4122 -243.5959 -211.1993 556126.8381 -8.6342 -8.8068 PRESSURE: 3783000 -88.3657 125.455 108.405 125.456 -26.4281 59.9079 108.404 59.908 -284.584 GPRESSURE: 3783000 -32.6598 144.991 126.483 150.251 -16.5685 80.8237 128.238 84.6887 -254.84 PRESSAVG: 3783000 3.3692 7.57093 9.58962 7.57091 -23.4592 -42.3356 9.58954 -42.3357 2.97015 GPRESSAVG: 3783000 2.27117 5.92832 10.5944 10.617 -22.8193 -42.0201 10.0307 -40.7075 3.10296 TIMING: 3783000 CPU: 11380.7, 0.00296106/step Wall: 11380.7, 0.00296106/step, 1.001 hours remaining, 210.363281 MB of memory in use. ENERGY: 3783000 767.4408 2159.1135 1937.7143 123.4285 -206322.1378 17733.2660 0.0000 0.0000 34499.6321 -149101.5426 301.2939 -183601.1747 -149011.1198 299.9530 -133.1260 -101.3562 557618.9946 -5.7066 -5.8151 PRESSURE: 3783200 -138.516 45.2039 16.7737 45.202 198.069 -40.2654 16.7735 -40.2655 -264.257 GPRESSURE: 3783200 -89.346 30.0546 6.55878 82.7906 222.25 -66.0576 45.678 -38.5137 -231.725 PRESSAVG: 3783200 -5.02637 81.4012 -29.5106 81.4012 -21.9557 -52.3731 -29.5106 -52.373 1.45669 GPRESSAVG: 3783200 -4.91579 81.8824 -29.6156 82.095 -22.4885 -51.2683 -27.8703 -53.3768 1.44646 TIMING: 3783200 CPU: 11381.3, 0.00297264/step Wall: 11381.3, 0.00297264/step, 1.00475 hours remaining, 210.363281 MB of memory in use. ENERGY: 3783200 728.2932 2118.6252 1913.3855 115.5846 -206116.9385 17740.1539 0.0000 0.0000 34469.8251 -149031.0709 301.0336 -183500.8960 -148936.9971 300.2377 -68.2348 -32.9402 557341.9100 -8.5085 -8.6526 PRESSURE: 3783400 -45.6813 92.1164 72.5927 92.1158 -108.687 -21.8167 72.5925 -21.8191 -94.4718 GPRESSURE: 3783400 -90.841 69.1176 97.2664 110.256 -17.8534 -22.9117 68.2533 32.4988 -37.5175 PRESSAVG: 3783400 6.37184 2.97952 51.4399 2.97962 -7.47893 -77.7288 51.4398 -77.729 -2.21632 GPRESSAVG: 3783400 6.09417 1.8491 51.8424 2.8287 -7.88215 -79.476 49.3717 -77.5494 -1.33123 TIMING: 3783400 CPU: 11381.9, 0.00298287/step Wall: 11381.9, 0.00298287/step, 1.00804 hours remaining, 210.363281 MB of memory in use. ENERGY: 3783400 760.1979 2160.0657 1925.9364 105.3006 -205946.4967 17604.5047 0.0000 0.0000 34378.4533 -149012.0381 300.2356 -183390.4914 -148917.0016 300.4174 -82.9467 -48.7373 556527.5972 -1.1078 -1.0397 PRESSURE: 3783600 -40.7679 -26.6324 209.395 -26.6317 -162.558 -24.646 209.396 -24.6475 -92.008 GPRESSURE: 3783600 -98.0412 -10.8726 210.669 -33.8825 -89.1843 14.7658 176.523 -44.0142 -27.8856 PRESSAVG: 3783600 49.2721 20.0206 39.8741 20.0205 -29.2414 -2.22959 39.8742 -2.22956 -12.5 GPRESSAVG: 3783600 49.6774 21.6968 38.0723 20.1094 -28.9139 -1.08744 41.5433 -0.470295 -13.5101 TIMING: 3783600 CPU: 11382.5, 0.00300961/step Wall: 11382.5, 0.00300961/step, 1.01692 hours remaining, 210.363281 MB of memory in use. ENERGY: 3783600 757.7542 2106.7204 1963.2359 118.3075 -205990.5960 17652.5485 0.0000 0.0000 34485.6561 -148906.3733 301.1718 -183392.0295 -148807.4612 300.4549 -98.4445 -71.7037 557378.5331 2.5102 2.4178 PRESSURE: 3783800 -160.24 33.0361 169.331 33.036 -315.174 55.0178 169.332 55.0179 -237.302 GPRESSURE: 3783800 -124.303 95.8662 172.227 -20.1483 -270.184 45.5463 144.892 80.8947 -226.593 PRESSAVG: 3783800 52.5189 22.7772 65.257 22.7772 -56.2849 25.5951 65.257 25.595 28.2839 GPRESSAVG: 3783800 51.0104 21.7876 64.8597 22.836 -55.7862 24.157 64.6832 25.7873 29.3084 TIMING: 3783800 CPU: 11383.1, 0.00301779/step Wall: 11383.1, 0.00301779/step, 1.01951 hours remaining, 210.363281 MB of memory in use. ENERGY: 3783800 799.3989 2097.3160 1954.3294 121.0857 -205678.6293 17580.1102 0.0000 0.0000 34390.4834 -148735.9057 300.3406 -183126.3892 -148644.1914 299.9428 -237.5721 -207.0266 558562.7772 8.1726 8.1775 PRESSURE: 3784000 19.3298 -49.1565 72.3786 -49.1558 -47.9397 -90.3491 72.3789 -90.3487 -33.9703 GPRESSURE: 3784000 68.0062 22.8323 68.0485 -125.517 4.65228 -109.722 84.7788 -99.8987 -50.0798 PRESSAVG: 3784000 46.1185 -54.2845 15.6816 -54.2845 0.032027 35.825 15.6816 35.825 19.9843 GPRESSAVG: 3784000 46.6754 -55.5687 15.6965 -53.9786 0.436326 38.4604 14.5108 33.1923 18.7919 TIMING: 3784000 CPU: 11383.7, 0.00299688/step Wall: 11383.7, 0.00299688/step, 1.01228 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: 3784000 778.8506 2108.1551 1941.2004 111.2837 -206011.0221 17830.6007 0.0000 0.0000 34482.8842 -148758.0476 301.1476 -183240.9318 -148661.6011 300.6678 -20.8601 7.5262 558622.3595 22.0449 21.9679 PRESSURE: 3784200 -189.133 -22.1593 -46.879 -22.1595 202.236 67.1992 -46.8793 67.1983 -232.193 GPRESSURE: 3784200 -126.555 8.6544 -20.418 11.0113 185.967 82.7457 -20.6726 17.0015 -184.253 PRESSAVG: 3784200 45.0714 -27.3453 49.3231 -27.3453 -20.3765 38.4392 49.3231 38.4392 -14.7316 GPRESSAVG: 3784200 45.0444 -27.3568 51.0955 -26.9835 -22.1592 36.1063 51.1442 39.1091 -13.6873 TIMING: 3784200 CPU: 11384.3, 0.00298365/step Wall: 11384.3, 0.00298365/step, 1.00765 hours remaining, 210.363281 MB of memory in use. ENERGY: 3784200 730.1569 2086.1100 1919.7385 107.7162 -205727.4193 17737.4729 0.0000 0.0000 34336.4613 -148809.7635 299.8689 -183146.2248 -148713.2198 300.7080 -73.0304 -41.6136 559630.4321 3.3211 3.0660 LDB: ============= START OF LOAD BALANCING ============== 11387.8 LDB: ============== END OF LOAD BALANCING =============== 11387.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11387.8 LDB: ============= START OF LOAD BALANCING ============== 11388.1 LDB: Largest compute 4802 load 0.030556 is 25.8% of average load 0.118217 LDB: Average compute 0.001711 is 1.4% of average load 0.118217 LDB: TIME 11388.1 LOAD: AVG 0.118217 MAX 0.208738 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.984 MB LDB: TIME 11388.1 LOAD: AVG 0.118217 MAX 0.208738 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.055 MB LDB: TIME 11388.1 LOAD: AVG 0.118217 MAX 0.208738 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.055 MB LDB: ============== END OF LOAD BALANCING =============== 11388.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11388.1 PRESSURE: 3784400 30.5098 -15.8045 -44.6447 -15.8055 -143.232 -153.35 -44.6432 -153.349 -251.344 GPRESSURE: 3784400 31.8087 33.5359 -33.0582 -133.938 -112.221 -176.408 -20.1347 -111.585 -199.088 PRESSAVG: 3784400 -22.9615 -6.0614 -23.5035 -6.06136 67.902 -8.24126 -23.5034 -8.24134 -39.208 GPRESSAVG: 3784400 -23.2034 -6.45888 -24.6251 -7.44943 68.3106 -6.5409 -22.6083 -8.2017 -39.5538 TIMING: 3784400 CPU: 11384.9, 0.00304639/step Wall: 11384.9, 0.00304639/step, 1.02866 hours remaining, 209.718750 MB of memory in use. ENERGY: 3784400 751.3607 2154.4543 1921.3147 117.5646 -205589.6372 17596.6204 0.0000 0.0000 34214.3703 -148833.9522 298.8026 -183048.3225 -148738.1411 300.7449 -121.3555 -93.1666 560577.4542 1.9108 1.8512 PRESSURE: 3784600 -52.6258 116.536 28.5402 116.536 -136.877 116.189 28.5401 116.19 -134.447 GPRESSURE: 3784600 23.4127 147.024 27.0849 110.754 -84.2402 57.3208 80.8525 156.786 -163.087 PRESSAVG: 3784600 29.5347 -24.8493 -33.3295 -24.8492 43.3848 3.46074 -33.3295 3.46072 -33.7545 GPRESSAVG: 3784600 28.7698 -22.8685 -32.9666 -24.3884 43.9434 1.25324 -34.4494 5.20853 -33.9463 TIMING: 3784600 CPU: 11385.5, 0.00297308/step Wall: 11385.5, 0.00297308/step, 1.00374 hours remaining, 209.828125 MB of memory in use. ENERGY: 3784600 731.1079 2128.9561 1948.9544 121.5700 -206015.0116 17722.2833 0.0000 0.0000 34511.0216 -148851.1183 301.3933 -183362.1399 -148751.9639 301.4200 -107.9834 -74.6381 560612.7641 13.0550 12.9223 PRESSURE: 3784800 235.705 60.4529 30.2925 60.4526 186.05 118.036 30.2916 118.035 -28.492 GPRESSURE: 3784800 235.577 160.049 52.9147 33.3696 244.758 69.6756 6.45277 115.173 17.3728 PRESSAVG: 3784800 50.2731 -23.2556 23.9681 -23.2556 -44.4547 12.686 23.9682 12.6861 -1.86538 GPRESSAVG: 3784800 51.2502 -24.5388 26.4352 -21.4622 -45.8175 12.7063 23.6187 12.7647 -2.05338 TIMING: 3784800 CPU: 11386.1, 0.00296395/step Wall: 11386.1, 0.00296395/step, 1.0005 hours remaining, 209.828125 MB of memory in use. ENERGY: 3784800 768.8400 2056.3373 1948.2607 101.3732 -206751.5379 18352.5909 0.0000 0.0000 34416.0893 -149108.0465 300.5643 -183524.1358 -149001.2864 299.9796 131.0878 165.9027 558407.5528 1.3177 1.1264 PRESSURE: 3785000 94.5354 59.58 57.7964 59.5794 -148.825 -81.6423 57.7957 -81.6419 153.153 GPRESSURE: 3785000 170.579 131.296 22.5185 18.8336 -96.8915 -154.212 87.5115 -91.7627 129.726 PRESSAVG: 3785000 34.9737 -8.79752 -12.2714 -8.79743 -35.8947 32.4441 -12.2714 32.4442 -2.04649 GPRESSAVG: 3785000 34.4934 -7.0182 -15.5822 -13.0139 -35.3682 33.5983 -12.3327 29.3591 -2.53833 TIMING: 3785000 CPU: 11386.7, 0.00295662/step Wall: 11386.7, 0.00295662/step, 0.997858 hours remaining, 209.828125 MB of memory in use. ENERGY: 3785000 733.2516 2103.1104 1940.0897 100.5050 -206064.6170 17781.7315 0.0000 0.0000 34332.2574 -149073.6714 299.8321 -183405.9288 -148980.5413 299.4724 32.9545 67.8045 557900.7190 -0.9891 -1.1377 PRESSURE: 3785200 -101.629 -24.961 113.9 -24.9612 50.6828 -3.57084 113.899 -3.57042 36.6357 GPRESSURE: 3785200 -62.6837 -72.6617 157.252 -30.7997 80.1297 94.2857 129.283 -14.746 64.3562 PRESSAVG: 3785200 -42.4329 26.0999 -11.4181 26.1 -4.39446 1.93984 -11.418 1.93988 103.306 GPRESSAVG: 3785200 -42.0674 24.6248 -10.3014 27.8373 -5.17211 -0.566758 -11.5455 5.81949 103.043 TIMING: 3785200 CPU: 11387.3, 0.00298946/step Wall: 11387.3, 0.00298946/step, 1.00878 hours remaining, 209.828125 MB of memory in use. ENERGY: 3785200 720.7753 2117.6849 1937.3466 111.7247 -205924.5109 17619.6144 0.0000 0.0000 34401.9003 -149015.4646 300.4404 -183417.3649 -148922.1747 300.4859 -4.7703 27.2674 557328.9880 18.8263 18.6012 PRESSURE: 3785400 -98.1793 106.568 206.362 106.567 -150.611 195.347 206.363 195.345 -168.449 GPRESSURE: 3785400 -14.4945 114.674 207.136 18.9855 -169.928 179.782 177.946 212.044 -146.048 PRESSAVG: 3785400 -27.4356 -13.9072 28.8756 -13.9073 -7.45594 -8.56251 28.8756 -8.56265 47.3806 GPRESSAVG: 3785400 -27.8056 -15.5504 29.367 -12.6794 -6.39154 -7.68002 27.9345 -10.7336 46.4447 TIMING: 3785400 CPU: 11387.9, 0.00298317/step Wall: 11387.9, 0.00298317/step, 1.00649 hours remaining, 209.828125 MB of memory in use. ENERGY: 3785400 748.7616 2085.8846 1928.7899 98.8884 -206020.7055 17683.5403 0.0000 0.0000 34444.0119 -149030.8288 300.8081 -183474.8407 -148929.1128 300.8415 -139.0797 -110.1569 560029.1173 4.1630 4.0825 PRESSURE: 3785600 397.292 -76.1651 -172.424 -76.1674 75.4532 14.1622 -172.424 14.1649 -202.311 GPRESSURE: 3785600 449.291 -56.6626 -251.674 -135.594 56.7549 72.2302 -99.2615 -46.732 -146.339 PRESSAVG: 3785600 80.9936 -9.7869 -15.059 -9.78688 -73.1873 -1.48403 -15.059 -1.48405 -44.3658 GPRESSAVG: 3785600 80.1612 -8.42874 -15.4617 -10.5573 -73.299 -0.846629 -15.7601 -2.08356 -43.4345 TIMING: 3785600 CPU: 11388.5, 0.00297878/step Wall: 11388.5, 0.00297878/step, 1.00484 hours remaining, 209.828125 MB of memory in use. ENERGY: 3785600 743.0394 2095.6577 1943.5128 120.1053 -206448.6093 18077.7756 0.0000 0.0000 34281.2280 -149187.2904 299.3865 -183468.5184 -149084.6324 299.0909 90.1449 119.9021 559445.4537 -12.1865 -12.1908 PRESSURE: 3785800 -245.162 -59.0791 53.8028 -59.0809 -222.057 61.6067 53.8028 61.606 -257.18 GPRESSURE: 3785800 -234.014 -149.303 -44.5217 -53.5341 -191.701 50.6328 104.804 1.54529 -209.592 PRESSAVG: 3785800 31.5967 -61.453 13.2496 -61.4531 36.22 -16.0043 13.2496 -16.0045 -12.6116 GPRESSAVG: 3785800 30.6603 -63.7815 13.1417 -59.9776 36.4502 -14.4332 14.9022 -16.1594 -12.3755 TIMING: 3785800 CPU: 11389.1, 0.00300925/step Wall: 11389.1, 0.00300925/step, 1.01495 hours remaining, 209.828125 MB of memory in use. ENERGY: 3785800 736.6552 2120.4923 1942.5070 118.2425 -205589.0245 17481.8837 0.0000 0.0000 33951.1848 -149238.0591 296.5041 -183189.2439 -149143.4882 299.0608 -241.4665 -211.7689 559490.8215 18.4017 18.2450 PRESSURE: 3786000 -76.1678 -22.4775 107.046 -22.4776 -91.7075 23.2263 107.045 23.2259 26.9189 GPRESSURE: 3786000 -19.3121 -61.7589 187.272 31.6829 -37.6887 -4.82578 73.9394 -9.15528 12.8168 PRESSAVG: 3786000 -15.5869 -3.12012 -35.0193 -3.12005 13.4407 26.3665 -35.0193 26.3665 26.832 GPRESSAVG: 3786000 -14.697 -2.13659 -34.4248 -4.32962 13.098 24.3125 -35.9425 28.7061 26.1676 TIMING: 3786000 CPU: 11389.7, 0.00301402/step Wall: 11389.7, 0.00301402/step, 1.0164 hours remaining, 209.828125 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: 3786000 764.8846 2035.3235 1949.3882 104.7375 -206194.1680 17822.0393 0.0000 0.0000 34197.1155 -149320.6793 298.6519 -183517.7948 -149228.9817 299.0572 -46.9855 -14.7280 559654.7151 8.2286 8.1895 PRESSURE: 3786200 205.26 23.1548 -83.1752 23.1546 224.333 29.3206 -83.1756 29.3206 -98.3971 GPRESSURE: 3786200 268.918 100.571 -116.378 -6.72118 236.727 80.72 -77.676 70.9596 -77.9453 PRESSAVG: 3786200 10.9306 26.3385 -16.7488 26.3384 -10.0357 -3.65676 -16.7488 -3.65675 31.1073 GPRESSAVG: 3786200 10.383 26.3222 -17.4426 25.1576 -10.3283 -3.50114 -15.2228 -4.57457 31.8306 TIMING: 3786200 CPU: 11390.3, 0.00303701/step Wall: 11390.3, 0.00303701/step, 1.02398 hours remaining, 209.828125 MB of memory in use. ENERGY: 3786200 713.4350 2110.7522 1935.2206 99.5226 -206374.0236 18107.3655 0.0000 0.0000 34230.7585 -149176.9693 298.9457 -183407.7278 -149081.3194 298.7902 110.3985 142.5663 557104.1561 10.6674 10.6284 PRESSURE: 3786400 71.9822 -29.2538 -76.5999 -29.2538 -129.388 -228.596 -76.5997 -228.597 108.521 GPRESSURE: 3786400 129.931 -17.4617 -132.12 -55.7799 -102.324 -207.815 -155.399 -225.178 113.709 PRESSAVG: 3786400 1.12529 -37.7707 9.15422 -37.7707 26.4925 -10.4725 9.15422 -10.4726 -54.5408 GPRESSAVG: 3786400 1.38213 -37.3552 8.12991 -38.2446 26.1391 -10.1406 7.79079 -10.0135 -53.8472 TIMING: 3786400 CPU: 11390.9, 0.00299107/step Wall: 11390.9, 0.00299107/step, 1.00832 hours remaining, 209.828125 MB of memory in use. ENERGY: 3786400 750.8229 2040.5159 1932.2997 114.7115 -206160.1615 17804.2867 0.0000 0.0000 34189.9793 -149327.5457 298.5896 -183517.5249 -149231.2997 299.2626 17.0385 47.1054 556452.9459 -8.9743 -8.7753 PRESSURE: 3786600 -224.436 -87.9454 78.1809 -87.9463 -208.047 70.9459 78.181 70.9461 -202.982 GPRESSURE: 3786600 -241.068 -91.3018 61.425 -110.853 -168.353 138.988 157.837 6.22485 -128.432 PRESSAVG: 3786600 5.59334 -65.5019 19.3949 -65.5019 -46.4406 -42.4313 19.3949 -42.4314 41.7344 GPRESSAVG: 3786600 5.55495 -64.7703 21.6976 -65.3627 -46.3671 -41.0632 20.8327 -42.2388 42.0061 TIMING: 3786600 CPU: 11391.5, 0.00298995/step Wall: 11391.5, 0.00298995/step, 1.00778 hours remaining, 209.828125 MB of memory in use. ENERGY: 3786600 727.2997 2122.2336 1919.3984 97.5759 -206050.9229 17467.6549 0.0000 0.0000 34574.7580 -149142.0024 301.9500 -183716.7604 -149038.4627 299.2769 -211.8219 -179.2844 557117.6100 0.2957 0.3980 PRESSURE: 3786800 -162.149 105.878 -23.0743 105.878 -83.8553 115.399 -23.0728 115.4 96.7332 GPRESSURE: 3786800 -86.8943 17.5051 -86.5798 179.886 -35.1238 73.6743 31.7483 199.15 53.6034 PRESSAVG: 3786800 24.0923 29.7308 -21.446 29.7308 -0.550207 24.0287 -21.4461 24.0286 -25.1929 GPRESSAVG: 3786800 24.1375 28.4808 -22.6617 31.0816 0.532544 22.1733 -23.3774 24.4146 -26.2227 TIMING: 3786800 CPU: 11392.1, 0.00299493/step Wall: 11392.1, 0.00299493/step, 1.00929 hours remaining, 210.031250 MB of memory in use. ENERGY: 3786800 740.3074 2016.6176 1936.8326 114.0504 -205741.1375 17504.1913 0.0000 0.0000 34261.5166 -149167.6216 299.2143 -183429.1382 -149062.0568 299.4783 -49.7571 -22.8049 558072.4371 -0.5503 -0.5175 PRESSURE: 3787000 -179.223 -140.044 -14.4351 -140.044 30.2934 -56.7879 -14.4354 -56.7891 -90.8879 GPRESSURE: 3787000 -153.119 -79.8625 -41.5522 -122.197 56.2923 -6.62511 -48.1264 -144.981 -44.6187 PRESSAVG: 3787000 -9.15226 38.3146 -6.85531 38.3145 44.6664 13.8041 -6.85541 13.804 -39.0969 GPRESSAVG: 3787000 -8.74285 38.9927 -7.12744 37.1519 43.2589 15.6071 -5.68675 13.1239 -38.1048 TIMING: 3787000 CPU: 11392.7, 0.00298151/step Wall: 11392.7, 0.00298151/step, 1.0046 hours remaining, 210.031250 MB of memory in use. ENERGY: 3787000 756.2562 2072.6482 1931.7042 113.9680 -206061.8536 17602.6525 0.0000 0.0000 34415.8950 -149168.7295 300.5626 -183584.6245 -149063.5330 299.6581 -79.9393 -47.1485 556988.2281 -1.1943 -1.1962 PRESSURE: 3787200 54.6346 49.7227 -210.719 49.7233 -91.8267 -212.116 -210.72 -212.117 68.8433 GPRESSURE: 3787200 112.493 76.459 -210.203 -4.46272 -71.6636 -152.629 -202.773 -178.311 94.2262 PRESSAVG: 3787200 -11.8185 43.5571 -56.2351 43.557 18.932 -48.9923 -56.2352 -48.9922 3.79213 GPRESSAVG: 3787200 -12.2399 41.6524 -54.7326 44.1357 19.38 -49.6956 -54.699 -49.7765 3.84627 TIMING: 3787200 CPU: 11393.3, 0.00300864/step Wall: 11393.3, 0.00300864/step, 1.01358 hours remaining, 210.031250 MB of memory in use. ENERGY: 3787200 744.8604 2065.6741 1951.6948 106.6720 -206384.9548 17848.0356 0.0000 0.0000 34370.8776 -149297.1405 300.1694 -183668.0181 -149198.1107 299.8815 10.5504 45.0185 556616.8127 3.6352 3.6621 PRESSURE: 3787400 -84.1513 -100.927 -201.598 -100.927 100.493 -0.598085 -201.599 -0.599195 -118.327 GPRESSURE: 3787400 -68.8907 -129.082 -237.859 -163.235 131.314 -4.24594 -192.835 -62.3711 -61.4497 PRESSAVG: 3787400 -4.0606 2.65064 -23.1004 2.65059 -33.0277 -43.3403 -23.1003 -43.3403 53.7646 GPRESSAVG: 3787400 -3.68484 2.12192 -26.4218 2.57267 -32.9737 -43.9336 -22.9353 -44.3667 53.1324 TIMING: 3787400 CPU: 11393.9, 0.00302107/step Wall: 11393.9, 0.00302107/step, 1.0176 hours remaining, 210.031250 MB of memory in use. ENERGY: 3787400 729.5389 2122.2270 1920.7527 126.3398 -206098.8991 17721.1605 0.0000 0.0000 34235.3531 -149243.5268 298.9859 -183478.8800 -149146.7391 299.6546 -33.9949 0.3244 556992.2926 5.5588 5.4913 PRESSURE: 3787600 92.4647 -128.914 -4.40489 -128.914 17.9707 -17.6178 -4.40499 -17.6178 135.229 GPRESSURE: 3787600 137.128 -120.949 19.598 -118.34 42.1313 7.98513 -31.2619 13.8463 172.204 PRESSAVG: 3787600 -65.7794 0.526152 -6.04437 0.526136 -14.6861 -47.9118 -6.04437 -47.9118 93.8522 GPRESSAVG: 3787600 -65.1874 2.61701 -3.82296 1.37684 -14.5499 -47.7832 -7.93953 -47.903 93.4039 TIMING: 3787600 CPU: 11394.5, 0.00300799/step Wall: 11394.5, 0.00300799/step, 1.01302 hours remaining, 210.031250 MB of memory in use. ENERGY: 3787600 754.6802 2118.8807 1938.7840 120.4429 -206179.5063 17889.8055 0.0000 0.0000 34330.6974 -149026.2157 299.8185 -183356.9131 -148934.3972 299.3277 81.8882 117.1544 555785.1310 4.4622 4.5555 PRESSURE: 3787800 -109.034 4.2268 -51.6971 4.22518 73.2837 -69.5502 -51.6977 -69.5507 -8.2557 GPRESSURE: 3787800 -79.0991 36.9596 -47.3508 4.52479 80.6303 -96.4367 -69.982 -82.2014 66.8043 PRESSAVG: 3787800 -38.7461 48.4124 6.43158 48.4125 -34.1576 -25.2927 6.43168 -25.2927 107.866 GPRESSAVG: 3787800 -38.4201 48.6423 5.24132 48.305 -33.8123 -25.4705 7.51239 -22.3413 107.615 TIMING: 3787800 CPU: 11395.1, 0.00303904/step Wall: 11395.1, 0.00303904/step, 1.02331 hours remaining, 210.031250 MB of memory in use. ENERGY: 3787800 746.9384 2127.5018 1960.4014 116.3743 -206013.8870 17691.7471 0.0000 0.0000 34273.4211 -149097.5031 299.3183 -183370.9242 -148997.2598 299.8443 -14.6687 22.7785 557169.3174 11.6542 11.7944 PRESSURE: 3788000 69.7724 -33.6714 111.484 -33.67 -35.1269 -27.3411 111.485 -27.3425 -101.3 GPRESSURE: 3788000 114.235 -15.0398 47.7929 -40.7927 -47.5871 9.36845 59.6051 -141.732 -32.0807 PRESSAVG: 3788000 -10.66 -55.0555 54.4739 -55.0554 -0.604814 -6.01236 54.4739 -6.01221 47.4422 GPRESSAVG: 3788000 -11.6963 -56.7066 55.8564 -54.6642 -0.586272 -5.81339 53.3734 -7.77929 48.6155 TIMING: 3788000 CPU: 11395.7, 0.00300612/step Wall: 11395.7, 0.00300612/step, 1.01206 hours remaining, 210.031250 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: 3788000 758.6759 2040.8169 1928.8020 113.4605 -206381.8079 17861.5616 0.0000 0.0000 34409.0889 -149269.4021 300.5031 -183678.4910 -149168.9401 299.4767 -22.2181 11.5226 557509.7824 12.0591 12.1110 PRESSURE: 3788200 77.6566 7.66363 79.0758 7.66257 -340.899 63.4931 79.0759 63.4928 49.6958 GPRESSURE: 3788200 106.213 32.861 170.923 9.43846 -282.187 79.2615 84.7538 3.45634 56.7954 PRESSAVG: 3788200 3.32698 62.1484 24.6476 62.1483 -74.3901 -60.4511 24.6476 -60.4511 75.0669 GPRESSAVG: 3788200 3.59598 62.3924 23.8484 62.5308 -74.9098 -62.7791 25.3184 -59.9537 75.0154 TIMING: 3788200 CPU: 11396.3, 0.00300149/step Wall: 11396.3, 0.00300149/step, 1.01034 hours remaining, 210.031250 MB of memory in use. ENERGY: 3788200 766.5347 2079.7035 1930.8059 102.9996 -206279.1163 17697.9105 0.0000 0.0000 34348.4291 -149352.7330 299.9734 -183701.1620 -149251.4539 299.4530 -71.1822 -39.7260 557934.2681 1.3346 1.2338 LDB: ============= START OF LOAD BALANCING ============== 11399.8 LDB: ============== END OF LOAD BALANCING =============== 11399.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11399.8 LDB: ============= START OF LOAD BALANCING ============== 11400.1 LDB: Largest compute 4802 load 0.028713 is 24.3% of average load 0.118281 LDB: Average compute 0.001718 is 1.5% of average load 0.118281 LDB: TIME 11400.1 LOAD: AVG 0.118281 MAX 0.212221 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.832 MB LDB: TIME 11400.1 LOAD: AVG 0.118281 MAX 0.212221 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.891 MB LDB: TIME 11400.1 LOAD: AVG 0.118281 MAX 0.212221 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.891 MB LDB: ============== END OF LOAD BALANCING =============== 11400.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11400.1 PRESSURE: 3788400 186.196 -15.5785 -127.885 -15.5786 -55.1414 -7.99875 -127.885 -8.00008 185.736 GPRESSURE: 3788400 251.688 -24.6573 -127.849 -37.6077 -22.772 -7.49621 -196.463 -91.4707 184.897 PRESSAVG: 3788400 -5.77243 25.2473 -17.5633 25.2473 -39.1051 35.9969 -17.5633 35.997 34.4798 GPRESSAVG: 3788400 -4.51291 26.2553 -16.5293 24.8199 -39.0423 39.0601 -18.826 34.9306 33.4194 TIMING: 3788400 CPU: 11396.9, 0.00304265/step Wall: 11396.9, 0.00304265/step, 1.02402 hours remaining, 207.890625 MB of memory in use. ENERGY: 3788400 777.3685 2091.6201 1930.9722 112.7797 -206491.4162 18062.2424 0.0000 0.0000 34231.6911 -149284.7422 298.9539 -183516.4333 -149191.6767 299.1986 105.5970 137.9376 556757.3368 -3.4659 -3.3786 PRESSURE: 3788600 73.7498 105.896 8.97786 105.896 -39.4852 102.835 8.9778 102.833 -120.357 GPRESSURE: 3788600 104.929 43.082 54.6814 118.192 -3.04741 43.1032 -68.4538 59.3048 -95.0172 PRESSAVG: 3788600 -7.7728 -6.92798 14.5849 -6.92801 -11.2491 -2.37672 14.5848 -2.37675 -10.6628 GPRESSAVG: 3788600 -8.22302 -8.38738 13.1178 -5.45804 -11.1126 -3.90084 16.1803 -0.403567 -10.1065 TIMING: 3788600 CPU: 11397.5, 0.00299599/step Wall: 11397.5, 0.00299599/step, 1.00815 hours remaining, 208.093750 MB of memory in use. ENERGY: 3788600 756.1493 2101.4871 1969.3432 116.1598 -206345.1326 17788.9500 0.0000 0.0000 34399.7050 -149213.3383 300.4212 -183613.0434 -149118.4112 299.0695 -28.6975 2.2882 557014.0620 -9.8949 -9.8140 PRESSURE: 3788800 52.7367 -96.2897 -6.61929 -96.2898 -200.674 10.5244 -6.61958 10.5226 -211.784 GPRESSURE: 3788800 63.6449 -6.54477 3.67831 -201.59 -156.862 2.61369 -48.7183 47.2821 -159.032 PRESSAVG: 3788800 23.8065 27.0797 8.74102 27.0796 -13.6896 3.89001 8.741 3.89004 -16.9682 GPRESSAVG: 3788800 25.6947 29.1808 9.67256 23.0713 -14.5976 4.66549 7.0096 3.3822 -17.4421 TIMING: 3788800 CPU: 11398.1, 0.00298898/step Wall: 11398.1, 0.00298898/step, 1.00563 hours remaining, 208.093750 MB of memory in use. ENERGY: 3788800 770.7621 2060.0664 1954.2294 112.9248 -206097.8253 17682.0025 0.0000 0.0000 34156.2189 -149361.6213 298.2948 -183517.8402 -149267.6333 299.5432 -119.9071 -84.0831 557372.4934 -2.2837 -2.1150 PRESSURE: 3789000 -97.8508 -17.7642 48.4265 -17.7634 74.8182 24.8197 48.4252 24.8193 72.9946 GPRESSURE: 3789000 1.72706 32.6457 49.4064 -72.4667 46.3934 37.3964 -6.21761 25.9373 89.5557 PRESSAVG: 3789000 -36.8469 -10.8306 25.0109 -10.8307 5.44754 -46.0414 25.0109 -46.0414 48.6427 GPRESSAVG: 3789000 -38.2271 -13.5177 25.0604 -7.69562 5.90363 -45.6252 26.7128 -47.6676 48.669 TIMING: 3789000 CPU: 11398.7, 0.00298967/step Wall: 11398.7, 0.00298967/step, 1.00569 hours remaining, 208.093750 MB of memory in use. ENERGY: 3789000 715.8742 2103.5909 1962.7289 115.1984 -206247.7014 17855.7360 0.0000 0.0000 34154.9141 -149339.6589 298.2834 -183494.5730 -149242.9104 298.7322 16.6540 45.8921 557751.7758 5.7478 5.4485 PRESSURE: 3789200 28.6027 -99.7012 212.028 -99.7021 -35.6006 -82.0301 212.029 -82.0307 -0.853251 GPRESSURE: 3789200 116.698 -101.798 226.234 -87.4621 -36.3813 -95.8948 214.99 -111.589 18.5818 PRESSAVG: 3789200 22.871 6.89949 -7.84024 6.89948 -6.5429 -25.5134 -7.84026 -25.5134 8.21499 GPRESSAVG: 3789200 22.4709 8.14956 -8.46407 6.86229 -6.47279 -26.5914 -9.61394 -24.7917 9.02019 TIMING: 3789200 CPU: 11399.3, 0.00297813/step Wall: 11399.3, 0.00297813/step, 1.00164 hours remaining, 208.093750 MB of memory in use. ENERGY: 3789200 750.3205 2114.3469 1934.1626 118.0321 -206702.6015 18012.3069 0.0000 0.0000 34306.0659 -149467.3667 299.6034 -183773.4326 -149368.9414 298.9536 -2.6171 32.9661 556314.3979 8.1810 8.3394 PRESSURE: 3789400 72.631 20.4062 67.3183 20.4075 -62.9933 -3.88223 67.3177 -3.88308 -80.9501 GPRESSURE: 3789400 60.8153 28.5363 35.5356 -5.58239 -1.76301 29.6046 82.6096 33.6308 -27.6084 PRESSAVG: 3789400 32.3771 1.59479 48.3393 1.59479 6.017 -30.9125 48.3394 -30.9125 -25.3276 GPRESSAVG: 3789400 32.6832 1.20322 48.3356 2.28084 5.5985 -29.0347 49.8244 -31.0234 -25.1898 TIMING: 3789400 CPU: 11399.9, 0.00299313/step Wall: 11399.9, 0.00299313/step, 1.00652 hours remaining, 208.093750 MB of memory in use. ENERGY: 3789400 737.8577 2052.2427 1931.4765 114.5444 -206669.2468 17996.3283 0.0000 0.0000 34410.0783 -149426.7189 300.5118 -183836.7972 -149325.6312 298.8208 -23.7708 10.4813 557364.3439 4.3555 4.3640 PRESSURE: 3789600 162.378 35.186 222.523 35.187 215.576 47.5818 222.523 47.5815 -68.766 GPRESSURE: 3789600 245.392 -9.3863 209.983 17.9274 230.034 93.8523 271.431 -10.4191 -82.7157 PRESSAVG: 3789600 0.451845 28.3817 74.5211 28.3817 20.9522 -25.7244 74.5211 -25.7243 4.36591 GPRESSAVG: 3789600 0.476068 30.4003 75.077 29.2569 21.5329 -24.1221 73.6599 -26.8728 3.36039 TIMING: 3789600 CPU: 11400.5, 0.003/step Wall: 11400.5, 0.003/step, 1.00867 hours remaining, 208.355469 MB of memory in use. ENERGY: 3789600 711.6858 2108.5028 1977.4201 115.5540 -206465.6001 17949.0228 0.0000 0.0000 34136.6288 -149466.7857 298.1237 -183603.4146 -149375.7113 299.0476 103.0627 130.9034 556686.5963 8.5900 8.4564 PRESSURE: 3789800 -102.157 38.4225 -165.969 38.4231 -71.1912 163.728 -165.97 163.729 -4.28618 GPRESSURE: 3789800 -86.6626 6.73841 -261.894 18.3346 -41.6795 77.2642 -37.801 258.388 55.363 PRESSAVG: 3789800 61.8168 -38.67 11.1948 -38.6699 -32.6937 -2.3897 11.1948 -2.38959 -27.1433 GPRESSAVG: 3789800 61.2423 -40.6854 10.1616 -40.7482 -32.7987 -3.42262 11.7794 -1.5918 -26.5437 TIMING: 3789800 CPU: 11401.1, 0.00300999/step Wall: 11401.1, 0.00300999/step, 1.01186 hours remaining, 208.355469 MB of memory in use. ENERGY: 3789800 720.4330 2136.2966 1901.5153 111.6614 -206074.0987 17685.2601 0.0000 0.0000 34107.3053 -149411.6270 297.8676 -183518.9323 -149315.3979 298.4896 -59.2113 -24.3264 558036.5697 0.6599 0.6333 PRESSURE: 3790000 90.5285 126.344 82.8061 126.345 129.425 -22.1959 82.8067 -22.1971 13.0699 GPRESSURE: 3790000 128.033 110.277 80.2701 122.834 167.276 -33.698 87.3093 -115.915 33.917 PRESSAVG: 3790000 -31.3153 -20.9391 38.0277 -20.939 8.06541 34.0672 38.0277 34.0673 13.7642 GPRESSAVG: 3790000 -30.8589 -20.6968 38.7963 -19.7337 8.10663 33.3618 37.2472 33.0465 13.1391 TIMING: 3790000 CPU: 11401.7, 0.00299839/step Wall: 11401.7, 0.00299839/step, 1.00779 hours remaining, 208.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3790000 756.7526 2128.8822 1948.7751 131.6305 -206469.3994 18024.9628 0.0000 0.0000 34037.7899 -149440.6063 297.2605 -183478.3962 -149349.4884 299.0068 77.6745 109.7418 557196.4353 -3.1619 -3.2044 PRESSURE: 3790200 121.679 -177.638 223.607 -177.638 6.78725 -54.6286 223.609 -54.6298 114.848 GPRESSURE: 3790200 187.868 -216.74 183.327 -165.009 42.784 -68.3594 173.428 -30.208 106.792 PRESSAVG: 3790200 -1.04551 -8.09853 63.3353 -8.09856 -39.4898 -65.8435 63.3352 -65.8435 -11.0292 GPRESSAVG: 3790200 -0.780539 -8.23757 61.6584 -9.55673 -39.3981 -64.5904 63.1018 -64.9374 -10.7663 TIMING: 3790200 CPU: 11402.3, 0.00302413/step Wall: 11402.3, 0.00302413/step, 1.01628 hours remaining, 208.355469 MB of memory in use. ENERGY: 3790200 735.7536 2099.2020 1935.5094 114.4925 -206410.0807 17843.2229 0.0000 0.0000 34415.8462 -149266.0541 300.5621 -183681.9003 -149171.6993 299.5069 81.1048 112.4812 557448.2002 -17.1882 -16.9817 PRESSURE: 3790400 -231.477 80.3119 5.75445 80.3114 -18.3864 89.8252 5.75371 89.824 -173.505 GPRESSURE: 3790400 -185.851 84.4531 33.9819 74.7422 20.6803 71.2823 -38.6882 107.069 -165.783 PRESSAVG: 3790400 -9.31108 -33.4626 18.9745 -33.4626 -28.3335 55.6272 18.9746 55.6271 -12.0052 GPRESSAVG: 3790400 -9.54492 -31.7369 18.9237 -32.5868 -28.3437 54.7855 21.3918 54.9103 -11.5457 TIMING: 3790400 CPU: 11402.9, 0.00299449/step Wall: 11402.9, 0.00299449/step, 1.00615 hours remaining, 208.355469 MB of memory in use. ENERGY: 3790400 778.7014 2106.4582 1951.3503 116.8447 -206405.8103 17834.3345 0.0000 0.0000 34353.7580 -149264.3632 300.0199 -183618.1212 -149163.9408 299.7276 -141.1227 -110.3181 558402.4572 -16.5499 -16.4781 PRESSURE: 3790600 -367.29 -9.09208 19.7227 -9.09283 104.812 26.6148 19.7226 26.6144 -188.382 GPRESSURE: 3790600 -324.837 79.2118 -33.9877 -59.8231 169.327 11.2915 24.4094 16.6158 -196.565 PRESSAVG: 3790600 -44.4908 19.3306 27.9565 19.3307 54.7667 40.3208 27.9566 40.3208 -2.46501 GPRESSAVG: 3790600 -43.6418 20.0167 28.4323 19.7681 54.3221 41.2842 25.9582 40.6054 -2.51714 TIMING: 3790600 CPU: 11403.5, 0.00297127/step Wall: 11403.5, 0.00297127/step, 0.998182 hours remaining, 208.355469 MB of memory in use. ENERGY: 3790600 761.4387 2068.0444 1963.9984 120.7822 -206309.5513 17797.5259 0.0000 0.0000 34314.2583 -149283.5032 299.6750 -183597.7616 -149179.0324 299.5226 -150.2866 -117.3579 558840.7055 2.6036 2.7210 PRESSURE: 3790800 -180.315 118.592 -99.4595 118.592 -35.847 -50.8576 -99.4603 -50.8572 -94.3241 GPRESSURE: 3790800 -166.775 146.139 -56.0622 102.113 12.3765 -74.3841 -136.264 -77.9468 -56.341 PRESSAVG: 3790800 -20.5558 20.6363 17.5774 20.6363 18.1273 17.0494 17.5774 17.0493 -17.6296 GPRESSAVG: 3790800 -21.4449 19.9047 17.462 20.7409 18.733 15.4206 19.1747 16.653 -17.4765 TIMING: 3790800 CPU: 11404.1, 0.00299084/step Wall: 11404.1, 0.00299084/step, 1.00459 hours remaining, 208.355469 MB of memory in use. ENERGY: 3790800 736.0743 2133.8323 1936.6397 100.7308 -206036.3136 17516.7923 0.0000 0.0000 34419.6072 -149192.6370 300.5950 -183612.2443 -149088.9772 299.4262 -103.4955 -70.2466 556376.7900 -6.6860 -6.7295 PRESSURE: 3791000 168.6 -64.4424 92.6722 -64.4434 -154.425 52.0267 92.6726 52.0256 14.2876 GPRESSURE: 3791000 237.362 -61.093 184.823 -85.1831 -117.844 109.556 20.9784 42.8671 5.24559 PRESSAVG: 3791000 3.84053 -3.64298 -8.00471 -3.64301 30.1355 23.4037 -8.00475 23.4036 5.59307 GPRESSAVG: 3791000 3.3274 -4.30286 -6.67578 -3.34093 29.8542 24.018 -8.13035 25.0485 5.76367 TIMING: 3791000 CPU: 11404.7, 0.00297174/step Wall: 11404.7, 0.00297174/step, 0.998009 hours remaining, 208.355469 MB of memory in use. ENERGY: 3791000 761.7679 2142.1046 1901.1560 117.6109 -206388.3672 17972.4618 0.0000 0.0000 34290.6927 -149202.5734 299.4691 -183493.2661 -149102.1072 299.3026 9.4875 41.5879 558208.0001 13.1897 12.9818 PRESSURE: 3791200 -89.3593 -71.7942 -31.6273 -71.7934 -185.785 -4.36933 -31.6269 -4.3704 118.228 GPRESSURE: 3791200 -22.0143 -109.29 32.1194 -43.8915 -138.781 -20.7663 -95.7733 24.6261 95.8884 PRESSAVG: 3791200 -38.0419 -26.6972 -46.5586 -26.6971 -12.4915 0.813269 -46.5587 0.813282 37.9856 GPRESSAVG: 3791200 -37.173 -27.3064 -46.3101 -28.453 -12.724 -0.575782 -49.2939 1.03194 37.0054 TIMING: 3791200 CPU: 11405.3, 0.00297496/step Wall: 11405.3, 0.00297496/step, 0.998925 hours remaining, 208.355469 MB of memory in use. ENERGY: 3791200 731.0679 2111.0426 1934.7516 119.0791 -206057.2848 17706.5534 0.0000 0.0000 34212.3970 -149242.3933 298.7854 -183454.7902 -149146.8301 299.3329 -52.3055 -21.6358 558078.3627 -4.1826 -4.2972 PRESSURE: 3791400 263.74 -41.0926 -57.1603 -41.0923 396.943 20.4059 -57.1604 20.405 161.447 GPRESSURE: 3791400 239.271 -86.7674 -154.53 51.3208 446.85 -37.8918 -70.3947 107.338 218.989 PRESSAVG: 3791400 56.4151 -10.1592 -47.8743 -10.1591 -47.0119 3.98327 -47.8743 3.98341 -3.31264 GPRESSAVG: 3791400 56.1097 -10.7443 -48.193 -7.64767 -47.4028 3.17053 -46.8528 3.44337 -2.74086 TIMING: 3791400 CPU: 11405.9, 0.00297577/step Wall: 11405.9, 0.00297577/step, 0.999033 hours remaining, 208.355469 MB of memory in use. ENERGY: 3791400 748.9564 2123.0073 1917.7571 113.6266 -206419.8864 18063.2084 0.0000 0.0000 34327.6890 -149125.6416 299.7922 -183453.3306 -149033.2806 299.3200 274.0436 301.7033 555993.7856 2.0302 1.9887 PRESSURE: 3791600 95.394 71.4145 -189.576 71.414 -4.16713 -17.7121 -189.576 -17.7115 50.2268 GPRESSURE: 3791600 123.079 24.0651 -193.958 22.7428 24.8224 12.9613 -206.419 33.9587 97.7478 PRESSAVG: 3791600 32.3291 14.3548 35.9867 14.3548 10.1333 -16.1567 35.9866 -16.1567 -27.0668 GPRESSAVG: 3791600 32.8262 16.032 34.7037 12.29 10.4769 -15.8928 37.2442 -15.5161 -27.655 TIMING: 3791600 CPU: 11406.5, 0.00297163/step Wall: 11406.5, 0.00297163/step, 0.997477 hours remaining, 208.355469 MB of memory in use. ENERGY: 3791600 737.3826 2129.6271 1928.5317 118.7079 -206068.0028 17666.1540 0.0000 0.0000 34241.3713 -149246.2282 299.0384 -183487.5995 -149150.9839 299.6674 47.1512 81.8831 555553.9927 5.1319 5.2160 PRESSURE: 3791800 -371.682 -78.803 -32.6578 -78.8046 113.921 12.3069 -32.658 12.3068 -115.7 GPRESSURE: 3791800 -366.107 -158.676 -9.95378 -65.8886 171.801 56.4159 -74.9173 -96.4621 -72.3365 PRESSAVG: 3791800 30.7007 -65.0417 -22.6905 -65.0417 29.3257 -40.6122 -22.6904 -40.6123 -14.9382 GPRESSAVG: 3791800 29.5497 -66.3962 -23.0555 -64.6038 30.3775 -40.0237 -22.5273 -43.7006 -14.1729 TIMING: 3791800 CPU: 11407, 0.00297962/step Wall: 11407, 0.00297962/step, 0.999994 hours remaining, 208.355469 MB of memory in use. ENERGY: 3791800 765.4574 2099.7706 1943.0717 103.4191 -206358.7327 17870.5159 0.0000 0.0000 34071.5453 -149504.9527 297.5553 -183576.4980 -149414.2552 298.3577 -124.4869 -88.8807 558348.9111 15.0294 15.2514 PRESSURE: 3792000 -182.676 -161.778 232.13 -161.777 206.904 -84.3564 232.13 -84.3553 -165.698 GPRESSURE: 3792000 -42.3557 -207.383 227.13 -101.681 191.695 -70.6928 248.516 -66.8199 -191.855 PRESSAVG: 3792000 -42.3493 -3.90879 -12.382 -3.90878 -31.4775 -17.7172 -12.382 -17.7172 34.406 GPRESSAVG: 3792000 -41.5988 -1.72831 -11.9756 -4.09143 -30.8721 -17.93 -12.3223 -15.6206 33.014 TIMING: 3792000 CPU: 11407.6, 0.0029692/step Wall: 11407.6, 0.0029692/step, 0.996333 hours remaining, 208.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3792000 786.1882 2075.6272 1946.6162 116.4722 -206347.4989 18062.8264 0.0000 0.0000 34164.6296 -149195.1391 298.3682 -183359.7687 -149096.5147 298.6008 -47.1569 -14.1719 560075.5421 -13.1403 -13.1523 PRESSURE: 3792200 -326.001 -63.1897 128.215 -63.1897 -100.816 -185.552 128.214 -185.552 -188.812 GPRESSURE: 3792200 -339.248 -17.118 200.984 -67.447 -45.1611 -157.492 67.2908 -207.463 -132.656 PRESSAVG: 3792200 -30.9594 -46.5976 26.5684 -46.5976 21.0659 -33.6829 26.5684 -33.6829 65.2415 GPRESSAVG: 3792200 -31.3271 -47.4818 26.4045 -47.0855 20.6338 -33.2952 26.7415 -34.1836 65.7946 TIMING: 3792200 CPU: 11408.2, 0.00297474/step Wall: 11408.2, 0.00297474/step, 0.998024 hours remaining, 208.355469 MB of memory in use. ENERGY: 3792200 746.4799 2051.5948 1932.7545 106.0691 -205738.0237 17511.0986 0.0000 0.0000 34259.6485 -149130.3782 299.1980 -183390.0267 -149039.5637 299.7652 -205.2094 -172.3553 559111.6869 18.4493 18.3671 LDB: ============= START OF LOAD BALANCING ============== 11411.8 LDB: ============== END OF LOAD BALANCING =============== 11411.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11411.8 LDB: ============= START OF LOAD BALANCING ============== 11412.1 LDB: Largest compute 4802 load 0.031442 is 26.6% of average load 0.118174 LDB: Average compute 0.001718 is 1.5% of average load 0.118174 LDB: TIME 11412.1 LOAD: AVG 0.118174 MAX 0.212764 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.457 MB LDB: TIME 11412.1 LOAD: AVG 0.118174 MAX 0.212764 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.527 MB LDB: TIME 11412.1 LOAD: AVG 0.118174 MAX 0.212764 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.527 MB LDB: ============== END OF LOAD BALANCING =============== 11412.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11412.1 PRESSURE: 3792400 23.7386 -65.3848 -17.9871 -65.3851 -74.5043 56.9555 -17.986 56.9551 29.4621 GPRESSURE: 3792400 33.274 45.6751 -42.8009 -54.9255 -42.7266 13.5313 9.06466 81.0939 75.7356 PRESSAVG: 3792400 -7.21908 -35.4752 31.5869 -35.4754 18.3907 -3.92187 31.587 -3.92184 10.3704 GPRESSAVG: 3792400 -6.9915 -35.2423 31.8857 -34.0967 17.3524 -5.28654 31.8148 -2.17609 11.3194 TIMING: 3792400 CPU: 11408.8, 0.00305194/step Wall: 11408.8, 0.00305194/step, 1.02376 hours remaining, 210.871094 MB of memory in use. ENERGY: 3792400 763.9112 2061.7484 1948.8746 125.0533 -205847.1189 17715.0114 0.0000 0.0000 34293.8650 -148938.6552 299.4969 -183232.5201 -148844.1497 299.8058 -7.1012 22.0943 557661.5021 7.1807 7.2268 PRESSURE: 3792600 -67.5903 -0.166776 141.574 -0.166243 -1.98737 11.3465 141.574 11.3473 45.967 GPRESSURE: 3792600 -65.474 -36.6293 60.7247 17.9354 92.0468 -13.5537 69.7043 -20.4819 36.7804 PRESSAVG: 3792600 -34.3196 -43.0229 -20.4158 -43.0228 26.6768 -5.14303 -20.4158 -5.14298 43.2936 GPRESSAVG: 3792600 -35.9407 -43.9506 -18.5553 -42.9691 27.2547 -6.55488 -23.1973 -6.13079 44.1461 TIMING: 3792600 CPU: 11409.4, 0.00300159/step Wall: 11409.4, 0.00300159/step, 1.0067 hours remaining, 211.128906 MB of memory in use. ENERGY: 3792600 761.4264 2056.5176 1958.5220 122.1669 -206378.8303 17871.5867 0.0000 0.0000 34542.9572 -149065.6536 301.6722 -183608.6108 -148966.3440 300.7690 -7.8702 21.1177 557205.1093 11.8836 11.8200 PRESSURE: 3792800 0.748559 72.0105 114.212 72.0104 -8.20557 107.4 114.212 107.4 248.43 GPRESSURE: 3792800 37.3277 112.085 164.784 87.8758 38.0385 4.29907 56.5042 154.83 262.638 PRESSAVG: 3792800 47.8754 38.5957 77.0703 38.5957 31.9067 -23.1022 77.0703 -23.1022 -54.7079 GPRESSAVG: 3792800 48.2211 38.609 73.5113 38.5359 31.6581 -21.793 80.6557 -23.4471 -55.076 TIMING: 3792800 CPU: 11410, 0.00297836/step Wall: 11410, 0.00297836/step, 0.998743 hours remaining, 211.128906 MB of memory in use. ENERGY: 3792800 710.0645 2125.3485 1915.4506 104.3975 -206227.9576 17773.6750 0.0000 0.0000 34324.1783 -149274.8431 299.7616 -183599.0214 -149181.0095 300.0440 80.3244 112.6682 555924.6659 8.3581 8.2677 PRESSURE: 3793000 16.6806 56.0225 28.6026 56.0229 -289.682 -191.708 28.6015 -191.709 1.65821 GPRESSURE: 3793000 56.3517 38.0819 5.50988 38.3336 -245.219 -178.933 63.454 -182.997 8.67904 PRESSAVG: 3793000 -63.7875 -13.0419 12.6265 -13.0419 -61.2481 -27.2192 12.6264 -27.2191 81.454 GPRESSAVG: 3793000 -64.9769 -11.982 14.2043 -14.5669 -60.8648 -26.9578 12.0984 -26.777 81.8861 TIMING: 3793000 CPU: 11410.6, 0.0029622/step Wall: 11410.6, 0.0029622/step, 0.99316 hours remaining, 211.128906 MB of memory in use. ENERGY: 3793000 770.4406 2064.8838 1945.9997 122.2462 -205995.7121 17576.6850 0.0000 0.0000 34164.8628 -149350.5940 298.3702 -183515.4568 -149260.3437 299.6632 -90.4478 -60.0629 557755.6162 -14.5272 -14.6519 PRESSURE: 3793200 68.2264 -61.896 -38.7647 -61.8968 267.715 -45.5179 -38.7644 -45.5173 -20.7479 GPRESSURE: 3793200 114.686 -105.726 -6.29022 -56.1544 278.868 41.0549 64.5676 -54.0084 16.3893 PRESSAVG: 3793200 -17.5902 -35.1978 -21.585 -35.1977 -6.83296 0.175588 -21.5852 0.175653 9.83004 GPRESSAVG: 3793200 -17.1288 -35.4795 -20.5415 -33.8078 -7.02957 -0.317753 -22.5831 -0.296818 9.41495 TIMING: 3793200 CPU: 11411.2, 0.00296688/step Wall: 11411.2, 0.00296688/step, 0.994564 hours remaining, 211.128906 MB of memory in use. ENERGY: 3793200 753.3034 2110.4748 1956.3601 107.4204 -206582.2865 18010.3503 0.0000 0.0000 34226.4759 -149417.9016 298.9083 -183644.3775 -149322.3234 298.9425 105.0646 136.6478 555992.8908 -4.8644 -4.9145 PRESSURE: 3793400 -48.7813 -60.6197 -204.757 -60.6208 26.2807 45.1856 -204.759 45.1865 -274.24 GPRESSURE: 3793400 6.35715 -49.9841 -156.99 -77.6239 100.546 -13.2873 -239.223 94.1182 -304.196 PRESSAVG: 3793400 -18.963 -39.5993 -20.3284 -39.5993 68.4649 32.7112 -20.3283 32.7113 -24.1137 GPRESSAVG: 3793400 -17.2901 -37.8465 -19.4758 -41.7469 67.513 31.7194 -20.322 34.5278 -24.4501 TIMING: 3793400 CPU: 11411.8, 0.00295968/step Wall: 11411.8, 0.00295968/step, 0.991987 hours remaining, 211.128906 MB of memory in use. ENERGY: 3793400 757.8365 2055.0553 1956.0343 111.6171 -206160.9824 17665.8909 0.0000 0.0000 34319.2660 -149295.2822 299.7187 -183614.5482 -149193.6669 298.7331 -98.9135 -65.7640 558035.3820 8.4627 8.5909 PRESSURE: 3793600 -83.0799 -51.2582 -71.7053 -51.2595 43.4947 143.332 -71.7056 143.333 -15.2959 GPRESSURE: 3793600 -65.2575 -61.093 -58.7818 -157.097 60.2992 134.339 -94.1879 144.949 46.6663 PRESSAVG: 3793600 72.3964 18.626 2.82476 18.626 -4.96426 19.2634 2.82474 19.2635 -46.722 GPRESSAVG: 3793600 70.1062 16.5215 2.59262 19.0505 -3.82472 20.4924 1.18667 17.3294 -46.8753 TIMING: 3793600 CPU: 11412.4, 0.00295657/step Wall: 11412.4, 0.00295657/step, 0.990779 hours remaining, 211.128906 MB of memory in use. ENERGY: 3793600 761.0902 2097.0814 1919.1546 109.5223 -205964.4483 17755.7596 0.0000 0.0000 34221.0124 -149100.8278 298.8606 -183321.8402 -149011.6504 299.3835 -18.2937 13.9027 557610.3263 6.9034 6.4687 PRESSURE: 3793800 -44.2085 15.8242 -57.5736 15.8239 -67.0103 -26.6309 -57.5733 -26.6315 174.415 GPRESSURE: 3793800 22.1409 59.6514 -72.1885 14.2342 -82.0068 38.6298 -113.275 -99.03 221.498 PRESSAVG: 3793800 -19.5966 27.5545 13.8815 27.5546 -21.8753 4.68547 13.8815 4.6854 33.4117 GPRESSAVG: 3793800 -17.44 28.7293 13.0118 28.1116 -22.471 5.05781 12.3985 4.18614 32.4908 TIMING: 3793800 CPU: 11413, 0.00296507/step Wall: 11413, 0.00296507/step, 0.993465 hours remaining, 211.128906 MB of memory in use. ENERGY: 3793800 718.7618 2112.4787 1920.7875 108.6384 -206000.0491 17708.7244 0.0000 0.0000 34266.9564 -149163.7019 299.2619 -183430.6583 -149073.0029 299.3985 21.0653 53.8773 557033.4592 -2.6867 -2.4734 PRESSURE: 3794000 96.6018 -177.808 0.263132 -177.807 -234.906 36.7459 0.262286 36.7455 96.2083 GPRESSURE: 3794000 100.937 -131.302 -106.053 -148.683 -177.145 150.518 76.1074 -6.25445 141.497 PRESSAVG: 3794000 -41.8874 -11.8462 -4.77009 -11.8461 -33.5997 0.405496 -4.77015 0.405477 58.8605 GPRESSAVG: 3794000 -43.1051 -12.1675 -5.23781 -11.8316 -32.6726 -0.854905 -3.34244 0.379765 58.7585 TIMING: 3794000 CPU: 11413.6, 0.00296273/step Wall: 11413.6, 0.00296273/step, 0.992513 hours remaining, 211.128906 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: 3794000 725.4562 2052.8369 1916.6915 113.1892 -205930.9380 17791.3817 0.0000 0.0000 34343.9102 -148987.4724 299.9339 -183331.3826 -148891.5442 299.4512 -14.0320 21.7630 557898.0275 -5.5422 -5.6731 PRESSURE: 3794200 -112.973 -198.555 36.2314 -198.555 -119.425 -206.208 36.2318 -206.208 -212.496 GPRESSURE: 3794200 -113.58 -264.248 67.5523 -136.914 -67.9783 -189.108 41.626 -180.15 -178.245 PRESSAVG: 3794200 45.1478 -26.8339 59.6728 -26.8338 -8.89256 -20.7015 59.6729 -20.7015 -11.903 GPRESSAVG: 3794200 44.5945 -28.4799 61.8603 -25.7692 -9.51407 -18.4001 60.0016 -19.6612 -11.0308 TIMING: 3794200 CPU: 11414.2, 0.00297696/step Wall: 11414.2, 0.00297696/step, 0.997116 hours remaining, 211.128906 MB of memory in use. ENERGY: 3794200 713.9580 2090.7735 1927.1873 120.8790 -205329.3630 17261.9653 0.0000 0.0000 34241.9426 -148972.6573 299.0434 -183214.6000 -148873.6788 299.4087 -148.2980 -119.9344 557010.0725 8.1174 8.0165 PRESSURE: 3794400 -237.016 179.535 -71.5472 179.533 85.0408 -0.256485 -71.5466 -0.255736 -57.7305 GPRESSURE: 3794400 -166.195 161.531 -143.591 259.381 95.9326 109.113 -45.4967 -70.1453 -37.3398 PRESSAVG: 3794400 32.6346 -1.63212 -60.014 -1.63208 -13.4839 -0.76779 -60.0139 -0.767792 0.223004 GPRESSAVG: 3794400 32.7952 0.413561 -60.3037 -1.80713 -13.5595 -1.31025 -60.7049 -0.324856 -0.0125491 TIMING: 3794400 CPU: 11414.8, 0.0029661/step Wall: 11414.8, 0.0029661/step, 0.993315 hours remaining, 211.128906 MB of memory in use. ENERGY: 3794400 742.3922 2046.7965 1957.2359 111.8474 -205644.5548 17446.0161 0.0000 0.0000 34279.7046 -149060.5621 299.3732 -183340.2666 -148965.3074 299.7904 -69.9019 -35.8676 556575.5244 6.4579 6.4077 PRESSURE: 3794600 -109.237 -17.357 4.17178 -17.3576 -70.1665 -69.2526 4.17123 -69.254 56.6268 GPRESSURE: 3794600 -142.617 -60.8409 54.4382 36.9198 -27.8014 0.967773 -62.6672 -6.80519 143.366 PRESSAVG: 3794600 21.487 -18.2176 -12.0369 -18.2175 -27.6106 -51.8044 -12.0369 -51.8043 24.2515 GPRESSAVG: 3794600 21.2419 -20.4037 -12.8991 -16.9754 -27.8756 -51.9407 -10.8668 -51.6028 24.7908 TIMING: 3794600 CPU: 11415.4, 0.00299263/step Wall: 11415.4, 0.00299263/step, 1.00203 hours remaining, 211.128906 MB of memory in use. ENERGY: 3794600 751.5002 2045.7461 1937.3340 102.3588 -206036.1011 17843.6715 0.0000 0.0000 34149.9720 -149205.5186 298.2402 -183355.4906 -149098.0880 299.3573 -40.9254 -9.0177 557459.7778 6.0426 6.0524 PRESSURE: 3794800 15.5338 -65.0572 61.0712 -65.0576 23.1286 -96.4816 61.072 -96.4811 178.061 GPRESSURE: 3794800 126.901 -97.3837 56.7159 -95.6653 42.3411 4.01442 78.9927 -109.247 157.49 PRESSAVG: 3794800 -31.3187 9.44303 -32.183 9.44304 17.3174 -49.5188 -32.1831 -49.5188 29.539 GPRESSAVG: 3794800 -30.4055 10.9434 -32.7383 7.37707 17.4649 -48.3235 -33.0488 -51.8976 28.0827 TIMING: 3794800 CPU: 11416, 0.00300697/step Wall: 11416, 0.00300697/step, 1.00667 hours remaining, 211.128906 MB of memory in use. ENERGY: 3794800 741.2546 2095.4924 1952.4788 107.7202 -206148.5934 17859.7367 0.0000 0.0000 34366.5005 -149025.4103 300.1312 -183391.9108 -148927.6860 299.2281 72.2413 108.9106 558661.2943 5.1792 5.0474 PRESSURE: 3795000 185.238 54.3461 -28.3304 54.3458 71.5442 -84.1021 -28.3299 -84.1001 -162.789 GPRESSURE: 3795000 225.862 68.5269 24.2651 15.1543 80.9982 -196.246 -18.6885 -55.5216 -112.554 PRESSAVG: 3795000 37.9389 -16.5089 0.81672 -16.5089 -6.32293 -39.5593 0.81674 -39.5592 10.8239 GPRESSAVG: 3795000 37.5603 -14.3778 1.29673 -18.4138 -5.68937 -41.0627 1.59367 -37.1586 10.9088 TIMING: 3795000 CPU: 11416.6, 0.00300073/step Wall: 11416.6, 0.00300073/step, 1.00441 hours remaining, 211.128906 MB of memory in use. ENERGY: 3795000 712.0961 2086.9930 1935.9397 109.4385 -206145.9078 17878.8014 0.0000 0.0000 34529.3152 -148893.3239 301.5531 -183422.6391 -148790.6545 300.3880 31.3310 64.7688 558363.4815 14.1466 14.2599 PRESSURE: 3795200 -214.049 53.4135 -152.73 53.4135 270.482 -169.396 -152.73 -169.397 -220.876 GPRESSURE: 3795200 -201.765 -18.8391 -126.696 122.952 271.069 -204.716 -152.38 -121.011 -138.508 PRESSAVG: 3795200 61.6423 -20.93 -71.488 -20.93 24.3587 -3.65974 -71.488 -3.65976 -54.6597 GPRESSAVG: 3795200 61.526 -23.0499 -70.1674 -19.0415 24.1171 -4.84871 -73.1273 -4.47114 -53.7267 TIMING: 3795200 CPU: 11417.2, 0.00299452/step Wall: 11417.2, 0.00299452/step, 1.00217 hours remaining, 211.128906 MB of memory in use. ENERGY: 3795200 732.1029 2099.4557 1944.0145 104.4642 -205960.0533 17531.9591 0.0000 0.0000 34451.2670 -149096.7899 300.8715 -183548.0569 -148999.3146 299.9501 -54.8144 -23.0679 557689.1800 10.4471 10.6388 PRESSURE: 3795400 -25.9327 182.025 64.739 182.024 -339.605 -108.58 64.739 -108.58 -44.8131 GPRESSURE: 3795400 -41.552 179.749 11.9482 81.4959 -262.77 -117.163 53.3398 -63.7784 4.27102 PRESSAVG: 3795400 47.2237 -22.7112 -24.6286 -22.7113 -24.9522 -36.3773 -24.6286 -36.3772 -34.8319 GPRESSAVG: 3795400 46.7948 -23.4148 -27.3487 -22.6683 -25.2129 -35.1581 -21.6508 -34.4458 -34.242 TIMING: 3795400 CPU: 11417.8, 0.00299148/step Wall: 11417.8, 0.00299148/step, 1.00098 hours remaining, 211.437500 MB of memory in use. ENERGY: 3795400 751.3482 2073.7263 1953.7551 122.2357 -206057.7728 17659.7803 0.0000 0.0000 34494.8847 -149002.0426 301.2524 -183496.9273 -148907.8820 300.1864 -136.7836 -100.0171 557782.9054 -4.1868 -4.2200 PRESSURE: 3795600 64.9944 -23.271 3.33214 -23.2719 -165.969 221.308 3.33251 221.309 -81.2449 GPRESSURE: 3795600 110.876 -11.968 20.565 -8.04578 -147.628 175.012 12.7716 247.27 -51.6707 PRESSAVG: 3795600 29.8192 -80.5889 -9.09695 -80.5887 -62.609 3.67109 -9.09679 3.6712 0.589312 GPRESSAVG: 3795600 28.9737 -80.3635 -7.51696 -81.7743 -61.567 4.54275 -10.0422 1.80759 0.146799 TIMING: 3795600 CPU: 11418.4, 0.00297574/step Wall: 11418.4, 0.00297574/step, 0.99555 hours remaining, 211.437500 MB of memory in use. ENERGY: 3795600 755.6694 2120.7136 1938.8226 125.0877 -206389.2230 17878.0463 0.0000 0.0000 34453.4757 -149117.4077 300.8908 -183570.8834 -149020.7934 300.1603 -60.7400 -29.4744 558082.9270 -10.7335 -10.8155 PRESSURE: 3795800 110.89 -40.0016 70.8451 -40.0017 -115.922 -37.5314 70.8466 -37.5315 179.026 GPRESSURE: 3795800 142.051 -38.7622 11.5242 19.7787 -75.1217 20.8535 120.82 -176.109 204.31 PRESSAVG: 3795800 67.0195 -5.79106 -21.3695 -5.79115 22.9442 1.38825 -21.3694 1.38817 -46.2278 GPRESSAVG: 3795800 69.0568 -6.08179 -22.7242 -5.41233 21.1915 0.900326 -21.9472 1.21255 -46.8193 TIMING: 3795800 CPU: 11419, 0.00299433/step Wall: 11419, 0.00299433/step, 1.0016 hours remaining, 211.437500 MB of memory in use. ENERGY: 3795800 756.5402 2110.8740 1948.8694 102.0890 -206462.6446 18030.9732 0.0000 0.0000 34529.9349 -148983.3639 301.5585 -183513.2988 -148890.0382 300.5157 57.9978 90.4129 558015.9534 14.5786 14.4763 PRESSURE: 3796000 32.4582 -20.7687 -129.914 -20.7683 -12.7067 -105.903 -129.915 -105.903 20.9032 GPRESSURE: 3796000 71.134 16.9421 -126.108 -162.971 0.400014 -133.768 -138.599 -58.2129 45.7222 PRESSAVG: 3796000 65.0552 -10.5536 16.718 -10.5536 -10.6183 -26.8694 16.718 -26.8693 -48.0275 GPRESSAVG: 3796000 62.9436 -8.08606 16.2874 -13.0793 -10.3732 -27.1422 17.0099 -27.8678 -46.3093 TIMING: 3796000 CPU: 11419.6, 0.00297485/step Wall: 11419.6, 0.00297485/step, 0.994923 hours remaining, 211.437500 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: 3796000 729.4628 2089.4864 1918.9579 118.4110 -206021.5397 17882.1538 0.0000 0.0000 34313.3567 -148969.7110 299.6671 -183283.0677 -148871.0913 300.0505 13.5516 39.0854 559341.1877 2.1365 2.0870 PRESSURE: 3796200 499.523 231.994 -80.8613 231.995 42.7278 -66.7255 -80.8612 -66.7251 -14.5951 GPRESSURE: 3796200 477.102 226.383 6.88114 204.741 148.661 -65.3427 -85.6122 -112.345 10.3473 PRESSAVG: 3796200 8.14085 9.35602 -15.5664 9.356 19.7441 -55.51 -15.5664 -55.5101 5.47974 GPRESSAVG: 3796200 8.45406 7.52011 -13.7117 12.9681 19.9504 -54.8664 -16.4423 -52.4873 4.83569 TIMING: 3796200 CPU: 11420.2, 0.00297975/step Wall: 11420.2, 0.00297975/step, 0.996394 hours remaining, 211.437500 MB of memory in use. ENERGY: 3796200 731.9154 2080.9885 1934.9659 97.9890 -206322.7073 18100.3080 0.0000 0.0000 34422.1138 -148954.4267 300.6169 -183376.5405 -148866.2006 300.5499 175.8852 212.0365 557834.9263 11.1215 11.0801 LDB: ============= START OF LOAD BALANCING ============== 11423.7 LDB: ============== END OF LOAD BALANCING =============== 11423.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11423.7 LDB: ============= START OF LOAD BALANCING ============== 11424 LDB: Largest compute 4802 load 0.031234 is 26.4% of average load 0.118190 LDB: Average compute 0.001712 is 1.4% of average load 0.118190 LDB: TIME 11424 LOAD: AVG 0.11819 MAX 0.207752 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.957 MB LDB: TIME 11424 LOAD: AVG 0.11819 MAX 0.207752 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.16 MB LDB: TIME 11424 LOAD: AVG 0.11819 MAX 0.207752 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.16 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11424 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11424 PRESSURE: 3796400 203.211 -130.14 21.2577 -130.14 182.039 -215.803 21.2568 -215.803 32.3369 GPRESSURE: 3796400 180.563 -131.064 78.2597 -88.4733 298.818 -152.01 87.1427 -267.546 36.099 PRESSAVG: 3796400 -19.0627 -27.5108 28.267 -27.5107 33.9038 -39.2594 28.267 -39.2593 21.4523 GPRESSAVG: 3796400 -19.1107 -26.3283 28.1095 -28.9576 35.1815 -37.6941 28.3919 -41.275 20.7224 TIMING: 3796400 CPU: 11420.8, 0.00302179/step Wall: 11420.8, 0.00302179/step, 1.01029 hours remaining, 210.992188 MB of memory in use. ENERGY: 3796400 736.7875 2147.7018 1952.2464 112.4280 -206031.4149 18020.8032 0.0000 0.0000 34107.7653 -148953.6828 297.8716 -183061.4481 -148865.4637 300.2367 139.1956 171.8266 558683.1873 12.0978 12.2644 PRESSURE: 3796600 -307.189 -118.035 54.989 -118.036 -25.9875 -307.567 54.9903 -307.568 43.9042 GPRESSURE: 3796600 -298.536 -12.5638 92.1982 -99.3502 -18.1839 -281.536 18.7629 -293.749 133.745 PRESSAVG: 3796600 -42.2048 -49.8923 34.8269 -49.8921 -41.3673 -38.4949 34.827 -38.4949 50.9053 GPRESSAVG: 3796600 -41.1796 -51.5569 32.9308 -51.0741 -43.0367 -39.0439 36.1515 -37.4708 51.4762 TIMING: 3796600 CPU: 11421.4, 0.00297843/step Wall: 11421.4, 0.00297843/step, 0.995622 hours remaining, 211.062500 MB of memory in use. ENERGY: 3796600 754.7541 2083.0399 1958.7918 135.1863 -205856.8541 17684.8460 0.0000 0.0000 34282.0866 -148958.1495 299.3940 -183240.2361 -148864.4806 299.5995 -96.4242 -60.9916 558705.1564 -10.8889 -10.9134 PRESSURE: 3796800 -19.2772 97.9794 -25.8428 97.9798 -183.055 0.763396 -25.8424 0.765085 -162.453 GPRESSURE: 3796800 12.8354 134.388 -100.662 84.1998 -165.669 37.2029 -31.0297 23.7926 -103.42 PRESSAVG: 3796800 -22.9869 -34.8718 61.7396 -34.8718 29.5258 11.6203 61.7395 11.6202 0.43218 GPRESSAVG: 3796800 -24.0163 -32.8039 64.1066 -33.5265 30.8415 10.9213 60.7461 10.6072 -0.354703 TIMING: 3796800 CPU: 11422, 0.00295231/step Wall: 11422, 0.00295231/step, 0.986726 hours remaining, 211.062500 MB of memory in use. ENERGY: 3796800 747.2470 2072.9309 1961.8100 107.1666 -205870.4349 17768.9669 0.0000 0.0000 34184.2855 -149028.0280 298.5399 -183212.3135 -148934.8213 299.8357 -121.5953 -85.4176 557999.9032 2.3237 2.1568 PRESSURE: 3797000 -362.028 -38.6006 93.4605 -38.5994 -86.9692 75.8811 93.4594 75.8816 -343.214 GPRESSURE: 3797000 -310.498 -54.5569 56.3295 -77.009 -99.2792 72.5591 38.5769 77.6907 -280.356 PRESSAVG: 3797000 25.2689 1.09577 1.2744 1.09578 25.0336 -6.19315 1.27455 -6.19311 -49.1316 GPRESSAVG: 3797000 25.8221 -0.251751 -1.11597 -0.399744 24.0374 -6.05137 1.72123 -5.22141 -48.6269 TIMING: 3797000 CPU: 11422.6, 0.00297936/step Wall: 11422.6, 0.00297936/step, 0.995603 hours remaining, 211.062500 MB of memory in use. ENERGY: 3797000 789.5459 2090.6577 1946.8072 115.7896 -205442.4481 17432.0910 0.0000 0.0000 34098.1664 -148969.3903 297.7878 -183067.5567 -148882.8651 299.5576 -264.0705 -230.0442 559318.4212 0.3903 0.4109 PRESSURE: 3797200 -69.7657 64.3236 -186.073 64.3238 -47.8622 4.64597 -186.072 4.64507 2.83637 GPRESSURE: 3797200 -19.7494 26.3199 -156.883 119.223 -10.8227 -23.5651 -210.737 24.473 15.7226 PRESSAVG: 3797200 35.8917 -13.8877 -20.6139 -13.8877 -23.7629 -19.3976 -20.614 -19.3976 0.12493 GPRESSAVG: 3797200 36.9726 -13.3257 -18.7132 -12.0073 -24.3971 -20.5253 -22.4094 -17.9853 -0.162585 TIMING: 3797200 CPU: 11423.2, 0.00300042/step Wall: 11423.2, 0.00300042/step, 1.00247 hours remaining, 211.062500 MB of memory in use. ENERGY: 3797200 759.6839 2087.7969 1951.8510 108.6934 -205954.4928 17754.5328 0.0000 0.0000 34463.2392 -148828.6954 300.9760 -183291.9346 -148733.9250 300.5541 -38.2638 -4.9499 557096.9476 4.0846 4.1377 PRESSURE: 3797400 -42.3559 -83.3062 93.1443 -83.308 7.16606 -105.308 93.1454 -105.31 139.09 GPRESSURE: 3797400 15.5462 -88.4616 105.027 -72.8989 11.4619 -83.6474 71.7273 -207.647 170.08 PRESSAVG: 3797400 56.6541 26.6179 -20.2471 26.6178 -91.6596 -24.5864 -20.247 -24.5864 -37.7261 GPRESSAVG: 3797400 55.823 24.7604 -21.7446 27.0991 -91.076 -24.6229 -17.9071 -24.8279 -37.1501 TIMING: 3797400 CPU: 11423.8, 0.00299304/step Wall: 11423.8, 0.00299304/step, 0.999841 hours remaining, 211.062500 MB of memory in use. ENERGY: 3797400 715.5441 2059.6160 1958.6710 112.2324 -205902.8142 17863.9983 0.0000 0.0000 34366.9416 -148825.8109 300.1350 -183192.7525 -148732.8534 300.0124 34.6335 65.6959 558766.6820 -24.2438 -24.1343 PRESSURE: 3797600 -116.894 46.9089 -191.876 46.9087 -112.068 72.59 -191.874 72.5921 3.06576 GPRESSURE: 3797600 -100.544 85.3145 -146.302 52.5378 -89.3694 13.2704 -141.085 -14.3534 63.5269 PRESSAVG: 3797600 49.7128 -14.7828 30.7763 -14.7828 -33.8444 -34.4241 30.7763 -34.4241 -30.7431 GPRESSAVG: 3797600 49.9622 -13.6948 31.5362 -15.5105 -33.5465 -33.7728 31.6339 -35.5383 -31.009 TIMING: 3797600 CPU: 11424.3, 0.00297929/step Wall: 11424.3, 0.00297929/step, 0.995083 hours remaining, 211.062500 MB of memory in use. ENERGY: 3797600 757.4508 2074.0405 1956.3266 102.5932 -205903.5261 17865.3907 0.0000 0.0000 34266.0542 -148881.6701 299.2540 -183147.7243 -148789.6459 300.6007 -75.2986 -42.1289 559836.9604 -4.9582 -4.8645 PRESSURE: 3797800 137.894 -57.7657 144.028 -57.766 -437.071 81.1654 144.026 81.1665 -242.213 GPRESSURE: 3797800 132.898 -16.1364 50.1769 14.9478 -374.068 6.50412 132.033 50.5143 -213.265 PRESSAVG: 3797800 54.2549 11.3526 1.21985 11.3525 -42.7276 -6.90699 1.21986 -6.90695 -4.45197 GPRESSAVG: 3797800 53.6125 12.6594 1.04253 11.2525 -42.4337 -6.48487 1.67695 -7.88217 -4.30177 TIMING: 3797800 CPU: 11424.9, 0.00295941/step Wall: 11424.9, 0.00295941/step, 0.988279 hours remaining, 211.062500 MB of memory in use. ENERGY: 3797800 729.0782 2059.2993 1921.4868 115.2651 -205570.0636 17465.4682 0.0000 0.0000 34299.5177 -148979.9483 299.5462 -183279.4660 -148884.7127 299.9562 -180.4632 -151.4783 557790.9603 2.3584 2.2923 PRESSURE: 3798000 -37.47 123.367 115.12 123.367 142.521 -169.059 115.12 -169.06 19.2654 GPRESSURE: 3798000 -21.8531 137.6 90.3798 104.066 190.48 -104.462 190.188 -102.263 49.5564 PRESSAVG: 3798000 22.6685 35.0269 -13.7396 35.027 34.6868 -19.6066 -13.7396 -19.6066 -51.3412 GPRESSAVG: 3798000 21.8075 34.3795 -12.7802 35.1655 35.4581 -21.205 -13.1735 -17.6347 -51.4412 TIMING: 3798000 CPU: 11425.5, 0.0029654/step Wall: 11425.5, 0.0029654/step, 0.990115 hours remaining, 211.062500 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: 3798000 729.1935 2065.7907 1937.9490 100.3913 -205953.4104 17875.5352 0.0000 0.0000 34316.4792 -148928.0715 299.6943 -183244.5507 -148828.4419 299.7184 41.4389 72.7277 558048.4398 2.0047 1.9415 PRESSURE: 3798200 104.417 83.8151 34.9305 83.8156 58.1621 71.0897 34.9301 71.0905 64.962 GPRESSURE: 3798200 104.268 56.9757 23.9097 75.228 45.9378 171.201 19.1715 -18.8669 166.127 PRESSAVG: 3798200 -33.4048 12.8817 38.9313 12.8817 38.2573 -11.6156 38.9314 -11.6156 29.4143 GPRESSAVG: 3798200 -32.9787 14.7808 36.0761 10.4784 37.6912 -10.8204 36.8611 -14.2879 29.55 TIMING: 3798200 CPU: 11426.1, 0.00298135/step Wall: 11426.1, 0.00298135/step, 0.995275 hours remaining, 211.265625 MB of memory in use. ENERGY: 3798200 758.7194 2090.9550 1962.5604 125.6986 -205956.1114 17781.6387 0.0000 0.0000 34363.1293 -148873.4100 300.1018 -183236.5393 -148769.2749 299.7628 75.8470 105.4440 556465.4400 11.4223 11.4208 PRESSURE: 3798400 -162.183 -94.999 -120.481 -94.9988 -101.883 -37.1881 -120.483 -37.1874 -64.9526 GPRESSURE: 3798400 -73.44 -47.0057 -140.54 -200.064 -84.1046 -28.0399 -166.3 -99.717 -77.1491 PRESSAVG: 3798400 -6.50136 0.994087 24.3676 0.994062 35.9605 -14.0808 24.3676 -14.0809 -15.7948 GPRESSAVG: 3798400 -6.24722 -2.32927 26.6122 4.81472 35.7319 -15.3745 25.1635 -12.1472 -15.5366 TIMING: 3798400 CPU: 11426.7, 0.00298981/step Wall: 11426.7, 0.00298981/step, 0.997932 hours remaining, 211.265625 MB of memory in use. ENERGY: 3798400 732.8572 2073.2241 1967.9788 117.7285 -205575.0319 17411.4828 0.0000 0.0000 34364.6618 -148907.0987 300.1151 -183271.7605 -148813.5106 299.9488 -109.6729 -78.2312 558026.5759 4.5548 4.6494 PRESSURE: 3798600 81.9649 -65.0939 197.303 -65.0941 -9.4536 136.006 197.303 136.004 24.2172 GPRESSURE: 3798600 179.75 -102.808 200.769 -88.7993 20.5636 212.996 150.544 56.8849 6.18723 PRESSAVG: 3798600 14.709 -31.4206 27.6904 -31.4206 -39.4968 38.6952 27.6904 38.6951 54.517 GPRESSAVG: 3798600 14.871 -30.0305 27.9567 -34.109 -38.9759 40.8358 28.0514 37.6315 54.0676 TIMING: 3798600 CPU: 11427.3, 0.00297103/step Wall: 11427.3, 0.00297103/step, 0.991498 hours remaining, 211.265625 MB of memory in use. ENERGY: 3798600 721.8703 2100.2822 1939.3338 127.4178 -205712.6611 17727.9251 0.0000 0.0000 34223.9453 -148871.8868 298.8862 -183095.8320 -148779.7512 300.2961 32.2428 68.8337 558076.8015 9.9097 9.9876 PRESSURE: 3798800 -339.35 62.9216 -224.181 62.9212 -16.1979 146.419 -224.181 146.42 -166.952 GPRESSURE: 3798800 -310.273 100.88 -224.93 34.9155 10.7461 194.788 -229.882 104.537 -122.215 PRESSAVG: 3798800 -17.7078 -4.56326 37.5137 -4.56326 6.87421 28.8663 37.5139 28.8662 19.7963 GPRESSAVG: 3798800 -18.0336 -4.04592 36.2472 -4.37689 7.17943 28.1504 36.4793 28.9534 20.5629 TIMING: 3798800 CPU: 11427.9, 0.00300114/step Wall: 11427.9, 0.00300114/step, 1.00138 hours remaining, 211.265625 MB of memory in use. ENERGY: 3798800 764.9229 2040.0845 1968.7261 118.0045 -205971.3665 17643.9209 0.0000 0.0000 34312.6986 -149123.0090 299.6613 -183435.7077 -149029.2420 300.4342 -174.1665 -140.5808 557684.2916 2.9875 3.2362 PRESSURE: 3799000 2.80823 -31.3722 -56.9745 -31.3704 -86.3734 -33.5701 -56.9755 -33.5693 -156.07 GPRESSURE: 3799000 38.4921 -56.0505 20.9212 -35.2501 -75.0127 -141.933 -50.3078 2.86169 -103.951 PRESSAVG: 3799000 -15.0284 30.4961 -23.409 30.4961 -16.2881 12.0074 -23.409 12.0074 10.8323 GPRESSAVG: 3799000 -14.4587 30.1748 -22.7596 31.4108 -16.7959 9.81067 -24.5034 13.0373 11.4882 TIMING: 3799000 CPU: 11428.5, 0.00296455/step Wall: 11428.5, 0.00296455/step, 0.989006 hours remaining, 211.265625 MB of memory in use. ENERGY: 3799000 745.2465 2054.9294 1936.4687 113.5680 -205825.5981 17623.1532 0.0000 0.0000 34181.8622 -149170.3700 298.5187 -183352.2322 -149076.0154 299.6266 -79.8783 -46.8237 557339.0976 -6.8281 -6.5888 PRESSURE: 3799200 -23.4507 97.5439 -67.7369 97.5435 -258.819 -36.2658 -67.7372 -36.2646 318.943 GPRESSURE: 3799200 -2.07867 128.011 -128.16 84.0412 -240.367 -42.7517 -30.0315 25.2777 374.053 PRESSAVG: 3799200 57.2032 23.348 -14.0405 23.348 -68.9707 63.7277 -14.0405 63.7277 -23.2784 GPRESSAVG: 3799200 57.3558 22.302 -12.942 23.1879 -68.3391 64.0654 -14.2675 63.2067 -23.8797 TIMING: 3799200 CPU: 11429.1, 0.00296601/step Wall: 11429.1, 0.00296601/step, 0.989331 hours remaining, 211.265625 MB of memory in use. ENERGY: 3799200 729.7050 2104.8037 1914.9488 108.3465 -206383.1321 17874.0973 0.0000 0.0000 34241.2824 -149409.9485 299.0376 -183651.2309 -149315.7950 299.1226 12.2246 43.8690 557702.0772 -11.6820 -11.6210 PRESSURE: 3799400 -190.376 85.7584 -50.6944 85.7569 -115.848 -19.5168 -50.6936 -19.5157 -209.151 GPRESSURE: 3799400 -133.791 5.38327 -39.5476 55.083 -63.346 14.4612 -48.8751 -53.3702 -211.112 PRESSAVG: 3799400 22.5488 -13.1432 6.02712 -13.1433 -87.8106 -46.7592 6.02711 -46.7592 10.5134 GPRESSAVG: 3799400 23.9054 -11.2739 5.91042 -15.8554 -88.2897 -46.0652 7.35675 -47.0211 9.59277 TIMING: 3799400 CPU: 11429.7, 0.0029742/step Wall: 11429.7, 0.0029742/step, 0.991896 hours remaining, 211.265625 MB of memory in use. ENERGY: 3799400 741.0169 2098.3701 1933.8167 103.2144 -206346.4925 17759.2799 0.0000 0.0000 34176.4410 -149534.3534 298.4714 -183710.7944 -149441.7547 298.5165 -171.7916 -136.0828 559018.6151 -18.2495 -18.2638 PRESSURE: 3799600 -47.9947 46.3776 -78.8795 46.3769 239.145 19.2677 -78.8799 19.2675 -90.7087 GPRESSURE: 3799600 13.5197 83.5399 -108.794 95.7717 253.264 64.1687 -124.781 -75.2429 -50.3129 PRESSAVG: 3799600 -42.629 -4.92793 -8.16216 -4.928 44.3415 21.6329 -8.16217 21.633 -4.06895 GPRESSAVG: 3799600 -43.4973 -5.91733 -9.32789 -3.63356 44.8513 23.2739 -9.79314 23.0342 -3.91442 TIMING: 3799600 CPU: 11430.3, 0.00297298/step Wall: 11430.3, 0.00297298/step, 0.991323 hours remaining, 211.265625 MB of memory in use. ENERGY: 3799600 760.4571 2099.6263 1918.7997 111.0880 -206544.2156 17929.4612 0.0000 0.0000 34065.2727 -149659.5106 297.5005 -183724.7833 -149564.5117 297.7204 33.4805 72.1571 556922.6452 -0.7855 -0.8535 PRESSURE: 3799800 -193.307 -85.4578 -107.396 -85.4584 -158.371 77.2001 -107.396 77.1999 -236.615 GPRESSURE: 3799800 -127.339 -67.5313 -197.92 -87.9564 -112.214 103.12 -26.8835 29.1751 -259.33 PRESSAVG: 3799800 20.7828 -14.9571 16.4992 -14.9572 -10.9472 -4.59059 16.4992 -4.5907 -16.5727 GPRESSAVG: 3799800 19.8428 -15.4455 17.088 -14.9121 -10.7412 -4.3855 18.2908 -7.9885 -15.9417 TIMING: 3799800 CPU: 11430.9, 0.00297898/step Wall: 11430.9, 0.00297898/step, 0.993157 hours remaining, 211.265625 MB of memory in use. ENERGY: 3799800 761.4404 2095.0409 1951.8318 113.0217 -206420.4123 17717.2397 0.0000 0.0000 33972.8958 -149808.9421 296.6937 -183781.8379 -149717.2846 297.7711 -196.0977 -166.2941 557453.1211 -2.2457 -2.2800 PRESSURE: 3800000 -298.337 -266.502 49.6483 -266.502 -96.6475 -0.437504 49.648 -0.436899 -168.755 GPRESSURE: 3800000 -296.361 -288.291 77.2179 -246.095 -87.6933 33.8647 12.6855 -104.739 -88.6903 PRESSAVG: 3800000 -5.43423 -21.4539 10.4358 -21.4539 40.4403 10.8124 10.4359 10.8123 37.5453 GPRESSAVG: 3800000 -6.15124 -20.819 10.4431 -21.7024 40.9239 10.2105 9.55772 12.2319 37.6753 TIMING: 3800000 CPU: 11431.5, 0.00301078/step Wall: 11431.5, 0.00301078/step, 1.00359 hours remaining, 211.265625 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: 3800000 770.2276 2084.2232 1959.2162 103.5994 -206792.6364 17873.5147 0.0000 0.0000 34217.9952 -149783.8600 298.8343 -184001.8552 -149682.5179 298.3719 -187.9131 -157.5814 558872.4560 24.1838 24.1493 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3800000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 3800000 WRITING COORDINATES TO RESTART FILE AT STEP 3800000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3800200 53.9969 135.002 0.168455 135.002 -72.1386 110.431 0.167112 110.43 -105.788 GPRESSURE: 3800200 103.492 47.6599 5.91723 121.712 -55.3738 199.215 -69.226 108.023 -77.3351 PRESSAVG: 3800200 29.214 26.6191 -14.3497 26.6191 18.2904 -4.39271 -14.3497 -4.39279 -24.5314 GPRESSAVG: 3800200 29.9367 26.3523 -14.7159 26.7146 18.4115 -3.84329 -14.1118 -2.8967 -25.8095 TIMING: 3800200 CPU: 11432.1, 0.00309114/step Wall: 11432.1, 0.00309114/step, 1.03021 hours remaining, 211.265625 MB of memory in use. ENERGY: 3800200 728.2702 2063.3039 1936.3998 120.8015 -206606.7457 17821.9120 0.0000 0.0000 34065.5528 -149870.5055 297.5029 -183936.0583 -149773.8103 297.6779 -41.3099 -9.7390 556074.9634 7.6577 7.5129 LDB: ============= START OF LOAD BALANCING ============== 11435.6 LDB: ============== END OF LOAD BALANCING =============== 11435.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11435.6 LDB: ============= START OF LOAD BALANCING ============== 11435.9 LDB: Largest compute 4802 load 0.031410 is 26.6% of average load 0.118229 LDB: Average compute 0.001715 is 1.5% of average load 0.118229 LDB: TIME 11435.9 LOAD: AVG 0.118229 MAX 0.210968 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.668 MB LDB: TIME 11435.9 LOAD: AVG 0.118229 MAX 0.210968 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.871 MB LDB: TIME 11435.9 LOAD: AVG 0.118229 MAX 0.210968 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.871 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11435.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11435.9 PRESSURE: 3800400 -221.484 35.0842 -25.7797 35.0835 -365.226 -49.3006 -25.7804 -49.3021 -128.301 GPRESSURE: 3800400 -218.988 -32.6501 9.01017 37.8502 -318.38 -98.3234 -72.6053 -87.8329 -84.0965 PRESSAVG: 3800400 2.32213 15.7781 19.5106 15.7781 -25.6827 0.643382 19.5105 0.643384 21.0352 GPRESSAVG: 3800400 1.37812 17.9013 19.0108 16.677 -24.6738 -2.05776 20.8486 1.58412 20.4983 TIMING: 3800400 CPU: 11432.7, 0.00306431/step Wall: 11432.7, 0.00306431/step, 1.0211 hours remaining, 210.480469 MB of memory in use. ENERGY: 3800400 754.3873 2068.6152 1940.6794 105.6294 -206029.3113 17524.0303 0.0000 0.0000 34047.4130 -149588.5567 297.3445 -183635.9697 -149498.8964 297.8345 -238.3373 -207.1548 557265.9696 -0.7751 -0.9325 PRESSURE: 3800600 114.479 87.673 166.661 87.6746 74.7749 -49.522 166.662 -49.5205 69.9556 GPRESSURE: 3800600 164.53 164.933 121.659 114.841 128.057 -19.932 234.154 -73.3675 67.5616 PRESSAVG: 3800600 -11.2334 28.3611 21.9858 28.3612 -12.4055 -27.5934 21.9858 -27.5934 34.7994 GPRESSAVG: 3800600 -10.7913 27.1354 21.7669 29.6601 -14.8721 -25.6927 21.647 -28.4481 37.0862 TIMING: 3800600 CPU: 11433.3, 0.00301198/step Wall: 11433.3, 0.00301198/step, 1.00349 hours remaining, 210.683594 MB of memory in use. ENERGY: 3800600 769.1126 2063.5903 1940.2655 114.7131 -207059.0906 18309.2232 0.0000 0.0000 34232.3581 -149629.8278 298.9597 -183862.1859 -149534.5812 298.1636 86.4032 120.0495 555854.0672 3.7202 3.8076 PRESSURE: 3800800 326.15 63.4487 237.762 63.4502 11.242 11.9804 237.763 11.9807 -20.8905 GPRESSURE: 3800800 431.342 10.6142 170.564 104.519 34.9905 31.4034 216.434 39.3613 -41.748 PRESSAVG: 3800800 0.589938 31.6523 30.9755 31.6523 -21.0207 -8.19628 30.9756 -8.19621 27.8708 GPRESSAVG: 3800800 1.9818 32.6062 32.2613 29.3631 -21.3281 -6.76705 29.4423 -8.33215 26.3735 TIMING: 3800800 CPU: 11433.9, 0.00302252/step Wall: 11433.9, 0.00302252/step, 1.00684 hours remaining, 210.683594 MB of memory in use. ENERGY: 3800800 712.5960 2070.4878 1959.8616 111.0357 -206844.7285 18085.8639 0.0000 0.0000 34058.6775 -149846.2061 297.4429 -183904.8836 -149749.8529 298.1181 105.5006 141.5281 557986.8607 2.4800 2.3424 PRESSURE: 3801000 -85.378 64.9112 -20.7478 64.9119 -57.5843 -64.4753 -20.7479 -64.4744 -69.4326 GPRESSURE: 3801000 -63.0635 118.011 -65.2655 3.69185 -22.853 -92.4778 -13.6285 -53.9372 -36.5197 PRESSAVG: 3801000 -34.1806 42.9462 32.3734 42.9462 20.9482 35.5868 32.3734 35.5868 -3.25285 GPRESSAVG: 3801000 -35.7269 44.7634 32.6911 41.2917 22.6644 32.2588 32.7178 37.9295 -3.62861 TIMING: 3801000 CPU: 11434.5, 0.00301917/step Wall: 11434.5, 0.00301917/step, 1.00555 hours remaining, 210.683594 MB of memory in use. ENERGY: 3801000 727.3955 2061.9680 1957.9317 111.8970 -206884.4000 17929.0713 0.0000 0.0000 34206.1768 -149889.9598 298.7310 -184096.1365 -149794.3684 296.9159 -70.7983 -40.8121 556916.9358 -5.4951 -5.5637 PRESSURE: 3801200 -25.7772 -72.4279 152.176 -72.4275 136.727 74.8989 152.175 74.8993 233.81 GPRESSURE: 3801200 59.9933 -14.9425 214.497 -72.1386 133.83 -20.9771 134.401 9.68845 245.429 PRESSAVG: 3801200 17.9487 21.6027 -35.7145 21.6028 45.6393 38.7108 -35.7146 38.7109 -32.7915 GPRESSAVG: 3801200 19.7432 17.5945 -35.9072 24.9008 44.2752 40.0784 -35.5965 35.9538 -33.3616 TIMING: 3801200 CPU: 11435.1, 0.00298153/step Wall: 11435.1, 0.00298153/step, 0.992849 hours remaining, 210.683594 MB of memory in use. ENERGY: 3801200 719.4720 2077.4262 1901.4620 110.8608 -206680.5648 17849.6018 0.0000 0.0000 34235.5655 -149786.1766 298.9877 -184021.7421 -149687.4032 297.5692 114.9200 146.4173 554915.1676 10.2655 10.2189 PRESSURE: 3801400 -98.3907 130.888 88.1587 130.887 -251.797 13.7885 88.1586 13.7879 -119.328 GPRESSURE: 3801400 -102.498 124.387 107.411 169.066 -192.332 31.4961 -0.591232 64.3087 -84.7451 PRESSAVG: 3801400 -42.6892 47.3692 -2.67627 47.3693 -0.638529 -1.66191 -2.67638 -1.66194 64.1776 GPRESSAVG: 3801400 -43.3907 46.7488 -4.50535 47.2221 0.550837 -2.0619 -4.22863 1.27803 63.6718 TIMING: 3801400 CPU: 11435.7, 0.00299868/step Wall: 11435.7, 0.00299868/step, 0.998394 hours remaining, 210.683594 MB of memory in use. ENERGY: 3801400 777.6749 2105.3790 1913.0102 112.2141 -206593.3191 17734.1441 0.0000 0.0000 34102.2923 -149848.6045 297.8238 -183950.8969 -149747.2600 297.6322 -156.5055 -126.5251 556111.9188 6.9499 6.9440 PRESSURE: 3801600 52.6705 58.8107 -79.0336 58.8105 46.0308 62.9156 -79.0335 62.915 -81.8561 GPRESSURE: 3801600 102.908 100.821 -173.712 6.65353 6.10661 -4.84256 -18.1119 106.823 13.8343 PRESSAVG: 3801600 18.6119 -12.22 -61.5954 -12.2199 46.4783 28.5639 -61.5954 28.5638 -56.2932 GPRESSAVG: 3801600 18.3403 -8.64616 -60.3566 -13.8696 44.6793 28.414 -60.2604 26.4808 -54.8381 TIMING: 3801600 CPU: 11436.3, 0.0029815/step Wall: 11436.3, 0.0029815/step, 0.992508 hours remaining, 210.683594 MB of memory in use. ENERGY: 3801600 728.2310 2101.3675 1941.6096 116.6773 -206721.6621 17804.7812 0.0000 0.0000 34301.3446 -149727.6509 299.5622 -184028.9956 -149630.4212 297.9969 5.6151 40.9495 554723.2555 2.9323 2.7272 PRESSURE: 3801800 -108.217 201.577 -115.261 201.577 202.312 40.6738 -115.26 40.6746 124.905 GPRESSURE: 3801800 -87.7957 243.758 -169.719 96.9907 224.363 115.804 -86.7137 -20.7437 179.14 PRESSAVG: 3801800 10.4773 20.5428 -20.9915 20.5428 -6.54415 44.833 -20.9914 44.833 24.1498 GPRESSAVG: 3801800 10.2279 18.3803 -20.7668 20.5057 -6.83305 44.7251 -22.0337 45.555 24.5465 TIMING: 3801800 CPU: 11436.9, 0.00296786/step Wall: 11436.9, 0.00296786/step, 0.987802 hours remaining, 210.683594 MB of memory in use. ENERGY: 3801800 732.5621 2068.1885 1922.3273 105.9835 -206938.9254 18112.0044 0.0000 0.0000 34148.3518 -149849.5079 298.2260 -183997.8597 -149752.1693 297.7762 73.0001 105.2357 555089.0215 9.3610 9.3138 PRESSURE: 3802000 -119.721 126.222 61.726 126.221 -318.139 20.2991 61.7262 20.2997 -66.5784 GPRESSURE: 3802000 -88.0978 112.211 46.8131 132.627 -292.983 27.8686 11.7803 85.6523 -26.3396 PRESSAVG: 3802000 25.9235 51.2952 -4.09848 51.2951 12.6532 45.1547 -4.09846 45.1546 37.6553 GPRESSAVG: 3802000 26.1821 53.8281 -5.17515 52.7238 13.3292 45.3363 -2.33985 45.3306 36.2021 TIMING: 3802000 CPU: 11437.5, 0.00298074/step Wall: 11437.5, 0.00298074/step, 0.991923 hours remaining, 210.683594 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: 3802000 745.2178 2095.4498 1945.1242 108.6147 -206388.0305 17751.8846 0.0000 0.0000 34065.1355 -149676.6040 297.4993 -183741.7395 -149583.5553 297.5184 -168.1461 -135.8068 558985.7842 25.4107 25.2378 PRESSURE: 3802200 47.0751 138.724 4.85641 138.723 28.0577 -14.8516 4.85721 -14.8515 -34.0084 GPRESSURE: 3802200 53.2248 132.904 3.0135 150.947 53.2404 59.0306 25.0986 50.2026 37.739 PRESSAVG: 3802200 47.2069 12.9567 -15.5433 12.9568 -5.52194 69.0618 -15.5433 69.0618 -27.621 GPRESSAVG: 3802200 46.6983 11.1905 -15.7138 13.5477 -6.19384 69.9417 -15.3772 67.787 -26.7342 TIMING: 3802200 CPU: 11438.1, 0.00300061/step Wall: 11438.1, 0.00300061/step, 0.998368 hours remaining, 210.683594 MB of memory in use. ENERGY: 3802200 747.4842 2076.1790 1919.4843 107.2614 -206464.9347 18003.4170 0.0000 0.0000 34022.0740 -149589.0349 297.1232 -183611.1088 -149491.2449 297.7677 13.7081 48.0681 557169.5369 4.6880 4.5901 PRESSURE: 3802400 44.1096 95.3401 -66.7368 95.3408 -63.9065 39.5575 -66.7374 39.5556 -51.7752 GPRESSURE: 3802400 84.0048 146.807 -76.7859 115.171 -9.1725 -0.623979 -120.885 126.87 -44.7658 PRESSAVG: 3802400 -19.141 -18.6981 2.99034 -18.6981 16.8662 13.278 2.99024 13.278 28.1565 GPRESSAVG: 3802400 -18.6516 -18.3198 5.25692 -19.8292 17.3814 12.0242 0.412978 14.5889 27.0202 TIMING: 3802400 CPU: 11438.7, 0.0029965/step Wall: 11438.7, 0.0029965/step, 0.996837 hours remaining, 210.683594 MB of memory in use. ENERGY: 3802400 736.3337 2104.6626 1933.4518 107.5994 -206553.7902 17808.1639 0.0000 0.0000 34273.8315 -149589.7474 299.3219 -183863.5788 -149496.0095 298.3641 -23.8573 10.0222 555529.5202 8.6272 8.5834 PRESSURE: 3802600 82.5832 125.75 -167.602 125.749 217.976 -122.063 -167.602 -122.064 -227.422 GPRESSURE: 3802600 88.3331 92.0186 -32.3174 93.1188 307.826 -107.761 -183.143 -161.871 -219.634 PRESSAVG: 3802600 81.6758 -30.768 -27.0923 -30.768 7.68441 -40.7728 -27.0923 -40.7729 -45.9272 GPRESSAVG: 3802600 82.3282 -29.9723 -28.599 -30.8108 6.88745 -40.7538 -26.4 -41.6348 -45.7687 TIMING: 3802600 CPU: 11439.3, 0.00297547/step Wall: 11439.3, 0.00297547/step, 0.989674 hours remaining, 210.683594 MB of memory in use. ENERGY: 3802600 723.9095 2107.7619 1916.0126 104.8420 -206697.0695 17850.0391 0.0000 0.0000 34319.7203 -149674.7841 299.7227 -183994.5044 -149576.1541 298.0819 24.3793 58.8416 555009.4029 14.4776 14.4823 PRESSURE: 3802800 29.4137 113.02 33.3666 113.019 -113.739 -39.5366 33.3672 -39.538 235.6 GPRESSURE: 3802800 58.344 12.6641 51.0943 141.514 -71.8487 -123.446 87.7357 -13.6042 259.411 PRESSAVG: 3802800 -29.7919 6.274 15.7972 6.27404 73.3398 -10.2885 15.7971 -10.2885 -18.9849 GPRESSAVG: 3802800 -31.0826 6.61852 14.2442 5.59643 73.3891 -9.77786 17.087 -9.92745 -18.2111 TIMING: 3802800 CPU: 11439.9, 0.00297474/step Wall: 11439.9, 0.00297474/step, 0.989267 hours remaining, 210.683594 MB of memory in use. ENERGY: 3802800 730.7442 2114.6339 1926.9476 105.8556 -206442.5210 17780.9425 0.0000 0.0000 34089.9160 -149693.4812 297.7157 -183783.3972 -149594.9793 297.7468 50.4247 81.9689 554376.8912 8.1877 8.0318 PRESSURE: 3803000 -237.966 -28.0257 156.253 -28.028 -374.724 101.812 156.253 101.813 -177.311 GPRESSURE: 3803000 -220.719 -8.07501 149.396 -92.921 -344.242 35.3327 164.439 72.775 -130.719 PRESSAVG: 3803000 11.6212 -43.5792 23.6531 -43.5792 15.9413 11.442 23.6531 11.442 -2.78809 GPRESSAVG: 3803000 12.3816 -44.7225 25.3897 -44.0184 16.3315 11.2303 22.4045 10.3714 -3.79261 TIMING: 3803000 CPU: 11440.5, 0.00294881/step Wall: 11440.5, 0.00294881/step, 0.98048 hours remaining, 210.683594 MB of memory in use. ENERGY: 3803000 709.5886 2122.4279 1959.4434 111.8788 -206187.6042 17484.2696 0.0000 0.0000 34141.3947 -149658.6012 298.1653 -183799.9959 -149562.5589 298.1019 -263.3336 -231.8934 557408.4552 8.2581 8.3068 PRESSURE: 3803200 277.173 -21.8764 -0.889726 -21.8748 -103.147 101.119 -0.889262 101.12 -4.85367 GPRESSURE: 3803200 308.337 -36.3635 10.4268 -6.62509 -98.6656 81.8618 24.3381 117.152 46.8328 PRESSAVG: 3803200 60.257 6.6351 13.8827 6.63504 -39.7107 22.7871 13.8828 22.7871 -21.9566 GPRESSAVG: 3803200 60.5574 6.034 9.91105 7.98815 -40.7836 21.2777 17.131 25.2588 -20.9923 TIMING: 3803200 CPU: 11441.1, 0.00296976/step Wall: 11441.1, 0.00296976/step, 0.987279 hours remaining, 210.683594 MB of memory in use. ENERGY: 3803200 738.3279 2099.0471 1966.4538 123.6364 -206238.4394 17811.7052 0.0000 0.0000 33910.4257 -149588.8433 296.1482 -183499.2690 -149498.0856 297.6024 56.3909 85.5016 556495.8053 -0.4701 -0.4062 PRESSURE: 3803400 106.581 54.8722 -34.7572 54.8723 -9.18 92.7884 -34.757 92.787 -186.404 GPRESSURE: 3803400 173.71 53.0302 -4.92318 85.4955 33.0597 119.328 -122.709 144.343 -181.337 PRESSAVG: 3803400 41.1799 -0.53992 -24.7737 -0.539901 -40.0936 19.4916 -24.7736 19.4917 -26.1962 GPRESSAVG: 3803400 40.2879 0.00297743 -20.3288 -1.04143 -39.593 21.4062 -27.0186 19.8949 -25.6099 TIMING: 3803400 CPU: 11441.7, 0.00297362/step Wall: 11441.7, 0.00297362/step, 0.988398 hours remaining, 210.683594 MB of memory in use. ENERGY: 3803400 736.0930 2066.9694 1972.3951 119.1215 -206469.1131 17752.2496 0.0000 0.0000 34282.1474 -149540.1370 299.3945 -183822.2845 -149443.4396 298.3072 -29.6676 8.4775 556243.9653 -8.3700 -8.3050 PRESSURE: 3803600 -199.3 -7.45417 -16.0372 -7.45456 -246.613 162.994 -16.0366 162.991 -104.925 GPRESSURE: 3803600 -187.173 -69.8952 -121.535 52.3548 -203.701 172.546 -65.6272 126.696 -54.0519 PRESSAVG: 3803600 32.3213 -4.2419 -56.5412 -4.24186 -74.7071 23.9357 -56.5413 23.9357 33.2854 GPRESSAVG: 3803600 34.4579 -3.99489 -57.6191 -4.61781 -74.6918 24.8741 -56.4281 22.036 31.0736 TIMING: 3803600 CPU: 11442.3, 0.0029625/step Wall: 11442.3, 0.0029625/step, 0.984536 hours remaining, 210.683594 MB of memory in use. ENERGY: 3803600 777.4541 2142.5008 1933.4471 103.1605 -206081.1808 17611.8587 0.0000 0.0000 34137.7964 -149374.9630 298.1339 -183512.7595 -149282.8242 299.3304 -183.6126 -148.3087 557240.3080 -3.0335 -3.0534 PRESSURE: 3803800 -386.304 -82.0594 -3.12934 -82.0589 -204.495 -241.036 -3.13046 -241.037 -213.368 GPRESSURE: 3803800 -375.959 -25.6377 -5.87588 -131.61 -166.863 -206.667 -70.3489 -337.745 -161.594 PRESSAVG: 3803800 15.141 -25.3033 -16.078 -25.3034 -31.2369 34.4806 -16.0781 34.4806 70.7829 GPRESSAVG: 3803800 13.3482 -25.1668 -17.3862 -25.0055 -31.5701 33.793 -17.0556 34.558 73.2132 TIMING: 3803800 CPU: 11442.9, 0.00296441/step Wall: 11442.9, 0.00296441/step, 0.985006 hours remaining, 210.683594 MB of memory in use. ENERGY: 3803800 736.3734 2072.3228 1951.6346 105.8192 -206035.5784 17503.0641 0.0000 0.0000 34239.4012 -149426.9632 299.0212 -183666.3643 -149322.4476 299.5061 -268.0556 -234.8054 557806.1516 18.2290 18.3304 PRESSURE: 3804000 356.604 67.0472 209.441 67.0471 362.759 71.0334 209.44 71.0314 215.764 GPRESSURE: 3804000 332.978 50.207 177.329 -9.46451 441.694 48.4711 126.473 63.4554 256.793 PRESSAVG: 3804000 -3.94487 26.3061 7.58888 26.306 3.77854 33.2972 7.58882 33.297 -16.5186 GPRESSAVG: 3804000 -3.23772 26.3255 9.37728 24.4186 4.77573 33.4565 7.44945 35.1285 -18.3672 TIMING: 3804000 CPU: 11443.5, 0.00295808/step Wall: 11443.5, 0.00295808/step, 0.982739 hours remaining, 210.683594 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: 3804000 728.4672 2126.4930 1921.8408 113.4547 -207113.8087 18514.4940 0.0000 0.0000 34344.2863 -149364.7727 299.9372 -183709.0590 -149270.9713 298.9647 311.7088 343.8215 555315.1140 -5.5616 -5.6097 PRESSURE: 3804200 -14.3304 -8.69975 -85.9498 -8.69794 -96.2764 119.353 -85.9487 119.351 -207.565 GPRESSURE: 3804200 -10.0598 -42.0319 -43.3456 16.6846 -57.1368 70.3306 8.41942 127.183 -167.843 PRESSAVG: 3804200 7.98647 20.692 14.7641 20.6921 -16.2086 77.6304 14.7641 77.6304 11.3133 GPRESSAVG: 3804200 7.63027 20.8903 16.2529 22.9892 -17.2571 76.59 14.4929 77.4111 12.4255 TIMING: 3804200 CPU: 11444.1, 0.00297941/step Wall: 11444.1, 0.00297941/step, 0.989659 hours remaining, 210.683594 MB of memory in use. ENERGY: 3804200 769.2955 2098.4787 1955.8771 112.5742 -206222.4351 17721.2111 0.0000 0.0000 34220.3439 -149344.6545 298.8548 -183564.9984 -149251.2738 299.1600 -106.0574 -78.3466 557321.6404 1.0304 0.9329 LDB: ============= START OF LOAD BALANCING ============== 11447.6 LDB: ============== END OF LOAD BALANCING =============== 11447.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11447.6 LDB: ============= START OF LOAD BALANCING ============== 11447.9 LDB: Largest compute 4802 load 0.031240 is 26.4% of average load 0.118241 LDB: Average compute 0.001725 is 1.5% of average load 0.118241 LDB: TIME 11447.9 LOAD: AVG 0.118241 MAX 0.210832 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.707 MB LDB: TIME 11447.9 LOAD: AVG 0.118241 MAX 0.210832 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.711 MB LDB: TIME 11447.9 LOAD: AVG 0.118241 MAX 0.210832 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.711 MB LDB: ============== END OF LOAD BALANCING =============== 11447.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11447.9 PRESSURE: 3804400 -110.82 -44.7831 -39.7163 -44.7823 -16.0729 5.48171 -39.7165 5.48094 -272.65 GPRESSURE: 3804400 -49.7758 -53.0908 0.337128 7.15596 -5.72843 -67.1774 -138.69 100.007 -254.856 PRESSAVG: 3804400 11.1756 -27.3625 -51.205 -27.3625 52.45 28.9926 -51.2049 28.9928 -33.1906 GPRESSAVG: 3804400 11.8108 -26.8267 -52.6127 -26.3389 52.2839 29.7303 -51.5966 27.7684 -33.7156 TIMING: 3804400 CPU: 11444.7, 0.00304034/step Wall: 11444.7, 0.00304034/step, 1.00973 hours remaining, 207.406250 MB of memory in use. ENERGY: 3804400 729.5687 2090.5825 1920.4623 116.0590 -206362.0632 17848.5300 0.0000 0.0000 34194.2793 -149462.5814 298.6271 -183656.8607 -149365.7656 298.9128 -133.1809 -103.4533 557410.2162 10.1450 10.1264 PRESSURE: 3804600 -9.04032 -17.0588 21.9489 -17.058 143.237 102.174 21.9495 102.175 -111.65 GPRESSURE: 3804600 10.5433 -4.09627 -86.5074 19.9571 223.538 131.15 51.0148 66.8895 -114.689 PRESSAVG: 3804600 44.8623 -22.8392 2.69549 -22.8392 44.1178 15.3476 2.69552 15.3477 -77.2114 GPRESSAVG: 3804600 44.6802 -24.5307 2.395 -22.7346 44.7528 15.887 4.5297 14.2493 -78.0642 TIMING: 3804600 CPU: 11445.3, 0.00298142/step Wall: 11445.3, 0.00298142/step, 0.989996 hours remaining, 207.406250 MB of memory in use. ENERGY: 3804600 774.3503 2068.1877 1947.2756 103.2637 -206332.0771 17832.3568 0.0000 0.0000 34230.4164 -149376.2266 298.9427 -183606.6430 -149288.1100 299.1917 7.5158 39.7975 556374.8839 3.9229 3.7896 PRESSURE: 3804800 97.8582 -283.514 107.462 -283.513 282.481 68.0985 107.463 68.0972 87.5137 GPRESSURE: 3804800 108.361 -199.813 178.951 -320.349 341.292 38.6575 94.2543 33.5897 116.262 PRESSAVG: 3804800 -34.8386 -14.7444 -65.4764 -14.7444 50.6482 3.89041 -65.4765 3.89047 50.484 GPRESSAVG: 3804800 -34.952 -13.2557 -67.1366 -18.2652 51.0739 3.10867 -66.504 4.87816 49.8709 TIMING: 3804800 CPU: 11445.9, 0.00298173/step Wall: 11445.9, 0.00298173/step, 0.989934 hours remaining, 207.406250 MB of memory in use. ENERGY: 3804800 713.6556 2098.4467 1924.9959 106.4659 -206637.8314 17936.1119 0.0000 0.0000 34180.9538 -149677.2016 298.5108 -183858.1554 -149584.6152 298.2189 155.9511 188.6381 554850.1980 22.0979 21.9976 PRESSURE: 3805000 -248.292 -61.9661 -11.5963 -61.9659 -61.2299 -48.8058 -11.5964 -48.807 210.477 GPRESSURE: 3805000 -169.519 -82.5752 26.3295 -20.0584 -17.3342 -43.4744 -55.2102 13.1187 188.167 PRESSAVG: 3805000 -81.0376 -9.57365 -33.7881 -9.57359 -14.6228 54.8395 -33.7881 54.8395 123.643 GPRESSAVG: 3805000 -81.6052 -11.1035 -31.996 -6.75918 -14.8837 56.4665 -32.5866 54.0313 124.99 TIMING: 3805000 CPU: 11446.5, 0.00299604/step Wall: 11446.5, 0.00299604/step, 0.994519 hours remaining, 207.406250 MB of memory in use. ENERGY: 3805000 700.1327 2091.8158 1940.6366 110.7477 -206259.8239 17588.3656 0.0000 0.0000 34010.8697 -149817.2557 297.0254 -183828.1254 -149730.8637 297.5283 -33.0148 0.4379 555283.8349 9.3275 9.5003 PRESSURE: 3805200 2.20694 -41.4963 -36.339 -41.4952 -12.2114 -158.323 -36.3385 -158.322 18.0626 GPRESSURE: 3805200 74.1034 -66.2984 -167.31 -68.7528 35.9649 -208.231 69.6673 -66.7861 -5.80238 PRESSAVG: 3805200 10.4591 8.24988 -5.86526 8.24977 -38.3747 -32.028 -5.86524 -32.0279 18.9233 GPRESSAVG: 3805200 11.2739 7.64674 -5.21214 8.41366 -39.2337 -33.0198 -6.88555 -31.6893 19.3436 TIMING: 3805200 CPU: 11447.1, 0.00299744/step Wall: 11447.1, 0.00299744/step, 0.994817 hours remaining, 207.406250 MB of memory in use. ENERGY: 3805200 721.0296 2099.1840 1951.8944 120.5307 -206641.0184 17742.9694 0.0000 0.0000 34484.6019 -149520.8084 301.1626 -184005.4103 -149424.8638 298.5524 2.6860 34.7553 556454.3788 -2.9974 -2.8721 PRESSURE: 3805400 339.36 -57.7519 65.2109 -57.7522 277.209 -72.3868 65.2104 -72.3877 -235.269 GPRESSURE: 3805400 350.669 -106.776 -55.4771 -97.5241 290.756 -109.371 103.942 -115.766 -151.95 PRESSAVG: 3805400 20.0036 7.64121 4.65181 7.64115 3.56415 17.1376 4.65184 17.1376 -15.3411 GPRESSAVG: 3805400 19.4227 9.80916 4.92559 6.25823 4.51142 15.7235 2.85872 17.7047 -16.4169 TIMING: 3805400 CPU: 11447.7, 0.00300628/step Wall: 11447.7, 0.00300628/step, 0.997582 hours remaining, 207.406250 MB of memory in use. ENERGY: 3805400 741.7471 2082.9489 1933.7084 118.3764 -206456.7802 17914.5130 0.0000 0.0000 34328.7354 -149336.7511 299.8014 -183665.4865 -149240.7842 299.7362 127.1001 163.1583 555926.2342 2.7422 2.5057 PRESSURE: 3805600 -322.369 -97.0787 -90.6822 -97.0786 -119.658 21.4696 -90.6837 21.4693 -83.4483 GPRESSURE: 3805600 -273.201 -95.8966 -89.7853 -126.547 -56.4221 53.6416 -59.3943 46.7684 -95.7498 PRESSAVG: 3805600 53.9452 -3.01577 -13.6436 -3.0157 -20.7062 -20.9176 -13.6437 -20.9175 -48.6287 GPRESSAVG: 3805600 53.4729 -1.78938 -13.6659 -4.30706 -20.3316 -19.911 -11.9037 -21.4746 -47.8665 TIMING: 3805600 CPU: 11448.3, 0.0029909/step Wall: 11448.3, 0.0029909/step, 0.992315 hours remaining, 207.406250 MB of memory in use. ENERGY: 3805600 745.9153 2125.8483 1937.1885 108.2379 -206187.4965 17689.9950 0.0000 0.0000 34215.5473 -149364.7642 298.8129 -183580.3116 -149267.8011 298.9522 -175.1583 -141.7909 558268.0072 -5.1299 -4.9084 PRESSURE: 3805800 -281.392 -20.6444 -36.8111 -20.6442 -188.036 -20.9322 -36.8119 -20.9323 -100.833 GPRESSURE: 3805800 -226.359 -58.3111 -81.004 -57.3434 -176.318 19.2577 5.98342 -74.4106 -60.5667 PRESSAVG: 3805800 77.0037 -22.8816 -29.9274 -22.8815 29.8856 -18.7587 -29.9274 -18.7587 -89.1505 GPRESSAVG: 3805800 77.2807 -22.6175 -32.0431 -22.0501 29.5338 -19.6709 -29.7577 -17.5492 -88.6547 TIMING: 3805800 CPU: 11448.9, 0.00295858/step Wall: 11448.9, 0.00295858/step, 0.981426 hours remaining, 207.406250 MB of memory in use. ENERGY: 3805800 733.0639 2077.8763 1972.3187 118.4301 -205957.2815 17522.6475 0.0000 0.0000 34244.5322 -149288.4128 299.0660 -183532.9451 -149191.6541 298.9201 -190.0872 -154.4145 558687.5650 5.9130 6.0533 PRESSURE: 3806000 -299.32 85.5441 124.808 85.5445 -102.883 -62.3452 124.807 -62.3445 -39.2624 GPRESSURE: 3806000 -224.087 93.0884 78.8001 92.0519 -102.016 -28.8387 133.12 -157.683 -17.4485 PRESSAVG: 3806000 9.76651 54.2008 -42.2249 54.2009 -66.7435 -18.1622 -42.2251 -18.1623 42.0554 GPRESSAVG: 3806000 10.2411 52.5536 -41.8892 53.723 -67.1266 -17.6064 -42.2062 -18.259 42.4535 TIMING: 3806000 CPU: 11449.4, 0.00295544/step Wall: 11449.4, 0.00295544/step, 0.98022 hours remaining, 207.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3806000 746.4699 2089.1228 1963.0000 108.7264 -205953.2106 17655.1042 0.0000 0.0000 34217.6885 -149173.0988 298.8316 -183390.7872 -149077.7090 298.9870 -147.1554 -114.5171 558709.5231 -4.9739 -4.8107 PRESSURE: 3806200 137.58 47.6667 49.9466 47.669 194.913 73.8482 49.9469 73.8481 -86.2877 GPRESSURE: 3806200 118.965 78.7932 98.3009 26.0811 278.278 -53.5788 -10.6139 92.8745 -60.5322 PRESSAVG: 3806200 -51.0696 20.0519 -1.91953 20.0521 31.6069 37.1465 -1.9195 37.1464 -21.8821 GPRESSAVG: 3806200 -51.4258 20.6287 -2.00572 20.8925 32.5912 35.9103 -0.315662 37.9802 -22.3891 TIMING: 3806200 CPU: 11450, 0.00295494/step Wall: 11450, 0.00295494/step, 0.979891 hours remaining, 207.406250 MB of memory in use. ENERGY: 3806200 705.1505 2017.2254 1933.5698 105.3742 -206043.4555 17869.5637 0.0000 0.0000 34362.9987 -149049.5732 300.1006 -183412.5719 -148946.3579 298.9654 82.0683 112.2371 558060.6761 -13.7816 -13.7412 PRESSURE: 3806400 186.396 -21.3703 8.66099 -21.3708 166.333 -114.933 8.66142 -114.933 105.641 GPRESSURE: 3806400 179.771 4.81774 125.267 -107.891 254.668 -92.3884 -19.8507 -104.152 113.235 PRESSAVG: 3806400 -4.18658 11.3029 3.45157 11.303 18.8484 -30.2231 3.45154 -30.2231 -17.2569 GPRESSAVG: 3806400 -5.28121 10.6317 5.93948 9.87712 18.1875 -28.9505 2.05005 -31.3514 -15.9375 TIMING: 3806400 CPU: 11450.6, 0.00300511/step Wall: 11450.6, 0.00300511/step, 0.996362 hours remaining, 207.406250 MB of memory in use. ENERGY: 3806400 747.7583 2059.7623 1953.4797 104.6054 -206423.6506 18077.7969 0.0000 0.0000 34379.9265 -149100.3216 300.2484 -183480.2480 -149000.1490 299.2986 152.7898 182.5580 557167.0736 -0.8650 -1.0104 PRESSURE: 3806600 159.655 80.1874 -16.8364 80.1871 215.151 -7.47941 -16.8376 -7.47846 322.35 GPRESSURE: 3806600 223.416 140.909 -74.0941 95.0696 241.694 -38.8546 -44.625 -3.06494 337.731 PRESSAVG: 3806600 6.45347 44.1736 11.8313 44.1736 43.5866 11.3877 11.8312 11.3877 -30.357 GPRESSAVG: 3806600 7.75645 45.1605 8.73407 44.5098 43.7125 11.1646 12.285 9.95334 -31.6891 TIMING: 3806600 CPU: 11451.2, 0.00298172/step Wall: 11451.2, 0.00298172/step, 0.988439 hours remaining, 207.406250 MB of memory in use. ENERGY: 3806600 765.1068 2084.1848 1932.5905 117.8358 -206912.3793 18434.6002 0.0000 0.0000 34362.7487 -149215.3125 300.0984 -183578.0612 -149125.0428 299.9180 232.3853 267.6135 555658.0504 6.5610 6.5933 PRESSURE: 3806800 -158.93 143.343 0.502303 143.343 -94.7481 93.8083 0.501008 93.8073 -10.7544 GPRESSURE: 3806800 -134.891 169.808 -9.9473 95.9847 -61.3254 159.037 10.9078 78.7151 29.7638 PRESSAVG: 3806800 -47.4633 29.63 -9.43114 29.6299 45.311 -18.6581 -9.43122 -18.6582 -0.300628 GPRESSAVG: 3806800 -45.9108 29.3079 -4.98928 29.732 44.6022 -19.1213 -12.0091 -17.5404 -1.38221 TIMING: 3806800 CPU: 11451.8, 0.00296658/step Wall: 11451.8, 0.00296658/step, 0.983257 hours remaining, 207.406250 MB of memory in use. ENERGY: 3806800 740.0935 2127.1939 1938.1438 111.7779 -206095.9418 17565.8961 0.0000 0.0000 34491.0340 -149121.8026 301.2188 -183612.8366 -149020.0049 299.5888 -88.1442 -55.4842 556609.4937 -0.8176 -0.8969 PRESSURE: 3807000 -39.3932 54.0332 83.9043 54.0331 49.9626 13.1312 83.904 13.1302 -55.7734 GPRESSURE: 3807000 -13.9492 5.44884 131.24 70.5167 87.4181 -35.7132 42.2043 37.0274 -20.3671 PRESSAVG: 3807000 -8.4625 65.5337 49.406 65.5336 -31.0908 19.2705 49.406 19.2706 -1.08944 GPRESSAVG: 3807000 -10.3215 66.3811 47.0584 65.7844 -30.16 20.1105 50.7529 17.4598 -0.165885 TIMING: 3807000 CPU: 11452.4, 0.00295011/step Wall: 11452.4, 0.00295011/step, 0.977634 hours remaining, 207.406250 MB of memory in use. ENERGY: 3807000 756.8810 2141.3424 1947.8729 123.8179 -205935.9737 17731.3868 0.0000 0.0000 34068.3418 -149166.3309 297.5273 -183234.6727 -149065.0598 299.7503 -15.0680 17.7006 557665.5908 -13.5476 -13.5491 PRESSURE: 3807200 231.487 26.5067 75.1202 26.5068 -286.281 10.9973 75.1202 10.9977 -18.2458 GPRESSURE: 3807200 247.064 15.9123 57.3547 -7.72716 -241.477 -36.7467 34.5973 -23.5481 32.5162 PRESSAVG: 3807200 -38.0793 -9.56416 53.2491 -9.56417 -10.4684 52.6495 53.2491 52.6496 -5.21568 GPRESSAVG: 3807200 -37.4791 -10.3022 54.2596 -10.2103 -11.0516 52.6458 54.594 53.2057 -4.68742 TIMING: 3807200 CPU: 11453, 0.00296731/step Wall: 11453, 0.00296731/step, 0.98317 hours remaining, 207.406250 MB of memory in use. ENERGY: 3807200 745.9993 2086.7453 1941.4527 109.7342 -206374.7533 17915.0537 0.0000 0.0000 34494.6557 -149081.1123 301.2504 -183575.7680 -148976.7873 299.2510 -24.3464 12.7011 558569.3802 -17.9211 -17.7393 PRESSURE: 3807400 -49.1479 -59.8714 36.8586 -59.8713 -36.829 -101.896 36.8589 -101.896 119.768 GPRESSURE: 3807400 -14.5227 -9.44292 80.0162 -115.466 2.32152 -53.7579 59.457 -80.2427 142.243 PRESSAVG: 3807400 -24.3691 9.88248 20.1832 9.88251 -27.3922 11.9561 20.1832 11.9561 50.703 GPRESSAVG: 3807400 -23.5464 8.55235 18.8474 9.26756 -27.1152 10.4726 19.2418 11.9941 49.5669 TIMING: 3807400 CPU: 11453.6, 0.0029949/step Wall: 11453.6, 0.0029949/step, 0.992145 hours remaining, 207.406250 MB of memory in use. ENERGY: 3807400 723.0842 2134.6314 1924.2233 110.0652 -206191.4015 17772.5893 0.0000 0.0000 34240.6920 -149286.1162 299.0325 -183526.8082 -149190.2813 299.0386 11.2638 43.3472 558430.9424 -0.3527 -0.3649 PRESSURE: 3807600 -124.811 5.28643 -51.8158 5.28538 27.2835 -77.7069 -51.8171 -77.706 -40.5723 GPRESSURE: 3807600 -84.7768 -30.1204 -92.3257 95.0798 23.8997 -101.433 -11.6957 -100.718 13.8457 PRESSAVG: 3807600 -17.972 20.7215 30.9305 20.7216 -42.8103 -63.7771 30.9305 -63.7772 38.0155 GPRESSAVG: 3807600 -19.5406 22.1421 31.5058 22.3659 -41.6245 -62.9313 29.4523 -63.2057 38.7559 TIMING: 3807600 CPU: 11454.2, 0.00300442/step Wall: 11454.2, 0.00300442/step, 0.995132 hours remaining, 207.406250 MB of memory in use. ENERGY: 3807600 751.0637 2101.9751 1940.2639 118.5992 -206494.5000 17905.8089 0.0000 0.0000 34392.2955 -149284.4938 300.3565 -183676.7893 -149186.2223 298.7226 -46.0331 -15.6771 557982.8302 -7.5890 -7.4697 PRESSURE: 3807800 -98.6101 45.9252 -143.588 45.9253 71.681 66.2674 -143.588 66.2671 33.5921 GPRESSURE: 3807800 -40.9934 -74.3474 -48.0049 83.212 74.5345 61.775 -128.008 61.1822 74.7018 PRESSAVG: 3807800 -21.1477 26.6448 -2.50165 26.6447 16.8909 -48.024 -2.50158 -48.024 61.3961 GPRESSAVG: 3807800 -19.7182 24.9705 -1.41803 26.0489 14.9393 -48.0695 -3.0076 -48.2674 62.7176 TIMING: 3807800 CPU: 11454.8, 0.00298922/step Wall: 11454.8, 0.00298921/step, 0.989928 hours remaining, 207.406250 MB of memory in use. ENERGY: 3807800 723.3231 2070.7084 1972.6222 127.3070 -205916.7875 17569.8041 0.0000 0.0000 34269.4486 -149183.5743 299.2836 -183453.0228 -149080.1702 298.6465 2.2210 36.0810 557556.1319 19.0464 19.3129 PRESSURE: 3808000 97.5166 -62.8427 76.0378 -62.8435 353.197 95 76.0377 95.0006 -69.3853 GPRESSURE: 3808000 84.3787 -80.3628 20.6322 -92.3348 388.561 77.974 78.1753 4.94174 1.81183 PRESSAVG: 3808000 -61.2673 30.6591 3.86031 30.6591 60.332 -57.7475 3.86025 -57.7475 0.0142521 GPRESSAVG: 3808000 -62.0358 29.8115 3.55186 31.0271 61.9728 -58.7078 3.91339 -58.2777 -0.751826 TIMING: 3808000 CPU: 11455.4, 0.00298461/step Wall: 11455.4, 0.00298461/step, 0.988238 hours remaining, 207.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3808000 771.0893 2087.0827 1946.3365 106.9796 -206320.5178 17957.8996 0.0000 0.0000 34126.2126 -149324.9176 298.0327 -183451.1302 -149231.1772 298.9331 127.1095 158.2507 557897.5743 -0.3070 -0.2716 PRESSURE: 3808200 -103.379 -99.2718 13.9152 -99.2707 -262.462 12.1572 13.9152 12.1574 -394.583 GPRESSURE: 3808200 -66.9612 -25.6555 -40.1416 -96.8861 -204.846 -9.82199 20.3097 -64.6198 -401.242 PRESSAVG: 3808200 -63.8507 -21.6709 0.823845 -21.6708 78.5372 -6.00386 0.823768 -6.00392 -35.7832 GPRESSAVG: 3808200 -63.513 -20.1709 0.315851 -22.3127 78.1062 -5.61137 -0.150035 -7.01913 -36.1188 TIMING: 3808200 CPU: 11456, 0.00301702/step Wall: 11456, 0.00301702/step, 0.9988 hours remaining, 207.406250 MB of memory in use. ENERGY: 3808200 760.1584 2125.2647 1953.2732 101.0383 -205972.7317 17533.1814 0.0000 0.0000 34186.9130 -149312.9027 298.5628 -183499.8157 -149209.9364 299.1277 -253.4745 -224.3499 558969.0837 -7.0323 -7.1752 LDB: ============= START OF LOAD BALANCING ============== 11459.5 LDB: ============== END OF LOAD BALANCING =============== 11459.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11459.5 LDB: ============= START OF LOAD BALANCING ============== 11459.8 LDB: Largest compute 4802 load 0.030073 is 25.4% of average load 0.118225 LDB: Average compute 0.001730 is 1.5% of average load 0.118225 LDB: TIME 11459.8 LOAD: AVG 0.118225 MAX 0.209581 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.969 MB LDB: TIME 11459.8 LOAD: AVG 0.118225 MAX 0.209581 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.211 MB LDB: TIME 11459.8 LOAD: AVG 0.118225 MAX 0.209581 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.211 MB LDB: ============== END OF LOAD BALANCING =============== 11459.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11459.8 PRESSURE: 3808400 -170.017 24.4241 -127.815 24.4256 -41.0955 -101.982 -127.815 -101.982 6.18149 GPRESSURE: 3808400 -154.703 43.9494 -160.323 60.4988 -35.9211 16.9703 -86.9877 -210.472 76.9853 PRESSAVG: 3808400 33.9333 -34.0448 -18.4886 -34.0448 25.7664 -35.4512 -18.4885 -35.4513 -58.0949 GPRESSAVG: 3808400 33.8107 -33.4329 -18.821 -33.3797 24.8913 -32.4936 -17.997 -36.0131 -57.4896 TIMING: 3808400 CPU: 11456.6, 0.00304302/step Wall: 11456.6, 0.00304302/step, 1.00724 hours remaining, 208.894531 MB of memory in use. ENERGY: 3808400 794.8999 2080.0779 1933.7618 116.8129 -206046.0730 17637.1667 0.0000 0.0000 34143.4711 -149339.8827 298.1834 -183483.3538 -149242.7839 299.1292 -68.3104 -37.8796 556982.7038 0.5349 0.4041 PRESSURE: 3808600 -144.918 101.57 20.2404 101.571 -72.17 42.4123 20.2395 42.4131 75.5711 GPRESSURE: 3808600 -67.8286 98.1506 40.4144 101.554 -113.379 13.7754 -47.7206 68.4423 150.883 PRESSAVG: 3808600 -56.3394 12.3454 -30.0526 12.3454 59.6055 39.1501 -30.0527 39.15 5.70661 GPRESSAVG: 3808600 -56.8823 11.3805 -29.975 11.5674 60.7715 34.4143 -30.3444 42.22 4.85977 TIMING: 3808600 CPU: 11457.2, 0.00299711/step Wall: 11457.2, 0.00299711/step, 0.991877 hours remaining, 208.894531 MB of memory in use. ENERGY: 3808600 729.3628 2089.0283 1924.8026 98.7082 -206281.5756 17781.1221 0.0000 0.0000 34336.8915 -149321.6600 299.8726 -183658.5515 -149223.3987 298.9739 -47.1724 -10.1084 557155.4612 2.9909 2.9163 PRESSURE: 3808800 84.062 -126.285 63.7976 -126.286 173.06 -17.9073 63.7965 -17.9074 -172.76 GPRESSURE: 3808800 180.079 -29.9524 51.3117 -143.553 108.689 132.514 38.4426 -84.3616 -102.904 PRESSAVG: 3808800 -29.5712 -26.006 21.6136 -26.0059 53.923 1.55199 21.6135 1.55188 -50.9486 GPRESSAVG: 3808800 -28.0041 -26.4862 22.0868 -24.6046 52.7953 4.5201 23.0108 2.04531 -51.2518 TIMING: 3808800 CPU: 11457.8, 0.00296736/step Wall: 11457.8, 0.00296736/step, 0.981866 hours remaining, 208.894531 MB of memory in use. ENERGY: 3808800 769.6459 2062.7311 1942.7950 107.7577 -206058.9169 17806.7532 0.0000 0.0000 34100.2173 -149269.0168 297.8057 -183369.2341 -149180.7730 299.5003 28.1205 61.9548 558417.8338 -8.8656 -8.8202 PRESSURE: 3809000 -19.7428 -27.906 7.20441 -27.9049 32.7081 11.4649 7.20514 11.4644 162.013 GPRESSURE: 3809000 -21.1168 -50.0836 6.97147 -3.5319 45.5491 -109.989 23.6765 117.108 247.617 PRESSAVG: 3809000 25.6356 -13.5466 81.6852 -13.5466 -22.5087 19.9043 81.6853 19.9041 7.81739 GPRESSAVG: 3809000 24.827 -13.8192 81.4724 -14.991 -23.167 17.8202 80.7242 19.1647 9.09244 TIMING: 3809000 CPU: 11458.4, 0.00297273/step Wall: 11458.4, 0.00297273/step, 0.983478 hours remaining, 208.894531 MB of memory in use. ENERGY: 3809000 764.8229 2103.8982 1965.4255 113.1272 -206454.0696 18008.2297 0.0000 0.0000 34266.1265 -149232.4396 299.2546 -183498.5661 -149136.9399 299.4836 58.3262 90.6829 557551.9552 3.6481 3.5841 PRESSURE: 3809200 -2.89149 156.819 -72.5618 156.819 144.799 121.744 -72.5612 121.744 -185.26 GPRESSURE: 3809200 33.5298 122.098 -98.4343 194.145 204.787 130.112 -86.0482 111.499 -190.504 PRESSAVG: 3809200 5.61627 -18.1838 84.6 -18.1838 19.2705 -35.2782 84.5999 -35.2783 3.85921 GPRESSAVG: 3809200 6.18363 -16.271 83.4177 -17.652 19.5294 -33.4569 85.3985 -36.4449 3.41145 TIMING: 3809200 CPU: 11459, 0.00295469/step Wall: 11459, 0.00295469/step, 0.977344 hours remaining, 208.894531 MB of memory in use. ENERGY: 3809200 751.5375 2065.0727 1942.1978 107.5332 -206135.2158 17834.1675 0.0000 0.0000 34211.7160 -149222.9910 298.7794 -183434.7071 -149122.1361 299.3579 -14.4509 15.9377 557371.9867 9.5820 9.7082 PRESSURE: 3809400 345.396 -1.95707 -73.8574 -1.95739 238.355 65.6921 -73.8577 65.6904 -203.713 GPRESSURE: 3809400 416.28 -69.1156 -58.4273 13.5648 233.1 -18.6206 -114.084 105.861 -168.517 PRESSAVG: 3809400 22.368 -20.3484 -7.87928 -20.3484 -41.2952 -10.6057 -7.87932 -10.6057 -3.62692 GPRESSAVG: 3809400 22.599 -22.7131 -7.14579 -17.7656 -41.6829 -11.0728 -7.41912 -10.3428 -2.66075 TIMING: 3809400 CPU: 11459.6, 0.00298528/step Wall: 11459.6, 0.00298528/step, 0.987299 hours remaining, 208.894531 MB of memory in use. ENERGY: 3809400 733.8719 2079.8699 1942.7755 122.6020 -206352.2050 17921.8402 0.0000 0.0000 34412.3962 -149138.8493 300.5320 -183551.2455 -149044.6496 299.9184 126.6794 160.2877 556142.1556 -7.5181 -7.2482 PRESSURE: 3809600 13.5521 -90.8684 -100.915 -90.8696 -60.3795 -92.3669 -100.915 -92.3665 -29.0921 GPRESSURE: 3809600 -5.87918 -137.83 -135.25 -102.45 -21.007 -42.8239 -60.3857 -107.266 46.2592 PRESSAVG: 3809600 21.535 17.2591 -25.3867 17.2591 13.8889 -5.58267 -25.3868 -5.5827 -36.8178 GPRESSAVG: 3809600 22.393 17.5355 -24.4279 15.8291 15.1739 -4.95478 -27.1206 -5.74117 -38.2452 TIMING: 3809600 CPU: 11460.2, 0.00302179/step Wall: 11460.2, 0.00302179/step, 0.999207 hours remaining, 209.097656 MB of memory in use. ENERGY: 3809600 773.1268 2107.3311 1920.9903 113.1950 -205802.8763 17529.0999 0.0000 0.0000 34018.2492 -149340.8842 297.0898 -183359.1333 -149250.1057 299.2329 -25.3065 6.4577 556441.8004 -0.4646 -0.2261 PRESSURE: 3809800 -61.7538 39.8362 46.361 39.8364 179.906 -31.5994 46.3612 -31.5998 -85.3139 GPRESSURE: 3809800 -27.2001 110.16 22.4241 40.2013 174.6 24.0506 54.4371 -62.413 -38.9067 PRESSAVG: 3809800 10.5186 54.8111 -15.4066 54.8112 0.461207 -22.9894 -15.4065 -22.9895 0.499124 GPRESSAVG: 3809800 10.8361 55.0598 -16.9006 53.9818 -0.241108 -22.5532 -15.5614 -23.602 0.893676 TIMING: 3809800 CPU: 11460.8, 0.00298642/step Wall: 11460.8, 0.00298642/step, 0.987343 hours remaining, 209.097656 MB of memory in use. ENERGY: 3809800 754.8583 2086.8072 1945.0781 114.3592 -206243.6377 17923.0158 0.0000 0.0000 34057.2021 -149362.3171 297.4300 -183419.5191 -149265.0751 299.0396 10.9461 36.1644 556266.1582 3.8263 3.8296 PRESSURE: 3810000 -163.587 113.62 -39.011 113.619 -129.108 -3.15825 -39.0114 -3.15798 97.5073 GPRESSURE: 3810000 -120.949 197.2 25.5656 126.329 -77.8169 100.058 -37.2561 -72.5561 93.0031 PRESSAVG: 3810000 -28.4643 32.2807 -67.5884 32.2806 19.3517 -40.8293 -67.5884 -40.8293 -4.68331 GPRESSAVG: 3810000 -28.7559 32.4663 -66.0289 32.1485 19.8849 -40.4295 -66.9333 -39.9706 -5.09226 TIMING: 3810000 CPU: 11461.4, 0.00297856/step Wall: 11461.4, 0.00297856/step, 0.984579 hours remaining, 209.097656 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: 3810000 747.4431 2110.9060 1933.8174 113.1741 -205828.2923 17616.6375 0.0000 0.0000 34140.9995 -149165.3147 298.1618 -183306.3142 -149064.8666 298.9676 -65.0626 -35.2542 556776.9537 -4.5986 -4.6544 PRESSURE: 3810200 -257.732 120.056 -169.124 120.056 -200.534 14.0858 -169.123 14.0857 -87.3105 GPRESSURE: 3810200 -250.08 187.373 -196.942 68.0531 -166.246 37.7203 -118.963 38.7383 -21.2128 PRESSAVG: 3810200 -39.9819 -9.20783 -6.97985 -9.20776 5.7393 -20.5191 -6.97983 -20.519 43.1365 GPRESSAVG: 3810200 -40.9396 -9.51061 -7.76172 -10.0707 5.95351 -20.1266 -5.57395 -21.5956 44.1775 TIMING: 3810200 CPU: 11462, 0.00296122/step Wall: 11462, 0.00296122/step, 0.978683 hours remaining, 209.097656 MB of memory in use. ENERGY: 3810200 734.5880 2172.7601 1956.4146 116.8810 -205613.6869 17404.5438 0.0000 0.0000 34040.1498 -149188.3497 297.2811 -183228.4994 -149088.6627 299.5289 -181.8590 -145.8462 556419.3777 2.9646 3.0638 PRESSURE: 3810400 -289.517 54.6664 25.0576 54.6662 -5.00543 -131.834 25.0561 -131.835 -97.8411 GPRESSURE: 3810400 -242.091 23.6921 72.6549 64.7319 19.5431 -89.9393 75.6123 -212.863 -59.3585 PRESSAVG: 3810400 13.0633 11.4617 -29.8373 11.4617 37.0778 23.43 -29.8374 23.4299 17.4517 GPRESSAVG: 3810400 13.198 10.903 -30.6716 12.3154 37.3387 21.0661 -30.9742 25.0739 17.0582 TIMING: 3810400 CPU: 11462.6, 0.00297447/step Wall: 11462.6, 0.00297447/step, 0.982897 hours remaining, 209.097656 MB of memory in use. ENERGY: 3810400 792.9472 2115.9078 1951.8447 126.1671 -206123.5243 17645.2580 0.0000 0.0000 34179.3633 -149312.0363 298.4969 -183491.3996 -149220.0026 299.3266 -130.7878 -93.9687 556855.1406 22.5310 22.5316 PRESSURE: 3810600 -90.2974 -230.756 49.1971 -230.756 -11.3739 12.9739 49.1968 12.9752 -32.9663 GPRESSURE: 3810600 -36.4302 -249.657 7.92857 -217.18 38.8779 23.1843 67.7469 21.9444 -34.2066 PRESSAVG: 3810600 2.91573 29.6081 -28.3531 29.6082 36.6709 18.6719 -28.3531 18.6717 -41.3243 GPRESSAVG: 3810600 4.15645 29.8877 -26.8515 30.9846 36.8924 20.4692 -28.4413 16.914 -42.9218 TIMING: 3810600 CPU: 11463.2, 0.00299591/step Wall: 11463.2, 0.00299591/step, 0.989814 hours remaining, 209.097656 MB of memory in use. ENERGY: 3810600 757.5898 2121.5853 1934.6484 105.5542 -206003.0353 17729.0080 0.0000 0.0000 34074.2852 -149280.3644 297.5792 -183354.6496 -149183.5971 298.9882 -44.8792 -10.5863 557690.4265 -0.5792 -0.6243 PRESSURE: 3810800 -42.6481 9.77669 -28.0295 9.77672 -279.852 8.02259 -28.0306 8.02318 -249.461 GPRESSURE: 3810800 -29.0554 93.9968 -85.8478 9.64269 -277.75 -17.6117 51.7697 -72.3739 -175.299 PRESSAVG: 3810800 15.8607 -20.9777 17.3631 -20.9777 -6.75809 34.9275 17.3632 34.9275 69.3606 GPRESSAVG: 3810800 15.2694 -21.9317 15.5337 -21.742 -7.47568 33.0408 18.936 37.4711 71.1691 TIMING: 3810800 CPU: 11463.8, 0.00300293/step Wall: 11463.8, 0.00300293/step, 0.991968 hours remaining, 209.097656 MB of memory in use. ENERGY: 3810800 763.8162 2074.8412 1953.5020 113.9140 -206106.9271 17690.3449 0.0000 0.0000 34201.9955 -149308.5133 298.6945 -183510.5087 -149211.0371 298.6184 -190.6537 -160.7015 558252.9905 26.1544 26.3209 PRESSURE: 3811000 -224.385 58.3261 93.0228 58.3268 -342.214 80.8856 93.0218 80.8874 -106.647 GPRESSURE: 3811000 -241.368 10.8859 103.335 107.712 -275.615 20.8605 70.8321 118.839 -56.6571 PRESSAVG: 3811000 2.54005 18.7699 3.99002 18.7699 -16.9431 -7.51194 3.99005 -7.512 7.71179 GPRESSAVG: 3811000 2.87703 20.3357 4.44128 17.227 -16.6131 -6.18703 2.77406 -8.26697 7.31911 TIMING: 3811000 CPU: 11464.4, 0.00301909/step Wall: 11464.4, 0.00301909/step, 0.997139 hours remaining, 209.097656 MB of memory in use. ENERGY: 3811000 764.3497 2076.8232 1921.2118 113.5081 -206033.4733 17580.4906 0.0000 0.0000 34315.2946 -149261.7952 299.6840 -183577.0898 -149170.0303 298.4521 -224.4153 -191.2132 558722.1652 -2.2304 -2.1390 PRESSURE: 3811200 -162.333 -45.0576 -16.7857 -45.0573 116.559 -122.318 -16.7867 -122.318 25.0823 GPRESSURE: 3811200 -113.277 -4.22718 -34.9322 -73.9182 100.95 -110.197 -0.277464 -106.98 83.8836 PRESSAVG: 3811200 3.4196 -53.836 -14.8479 -53.8359 34.5232 -46.5801 -14.8479 -46.58 -27.5297 GPRESSAVG: 3811200 3.46275 -55.3091 -13.5501 -52.1295 35.1803 -45.6561 -16.0487 -46.0637 -27.5854 TIMING: 3811200 CPU: 11465, 0.00307861/step Wall: 11465, 0.00307861/step, 1.01663 hours remaining, 209.097656 MB of memory in use. ENERGY: 3811200 755.7997 2079.0178 1943.6157 111.7565 -206075.4313 17861.8003 0.0000 0.0000 34263.5548 -149059.8866 299.2321 -183323.4414 -148966.7523 299.6122 -6.8973 23.8521 557901.9761 3.4710 3.6859 PRESSURE: 3811400 -230.694 31.0346 -75.339 31.0343 62.3494 7.84609 -75.34 7.84367 5.1109 GPRESSURE: 3811400 -221.036 57.0378 -31.057 105.243 94.4133 62.484 -139.854 -110.782 55.9055 PRESSAVG: 3811400 -33.9652 14.4157 -9.12808 14.4158 44.3418 -10.8302 -9.12797 -10.8302 29.8603 GPRESSAVG: 3811400 -34.1108 15.736 -12.5165 13.3429 44.2622 -13.0734 -7.13427 -11.6306 29.8709 TIMING: 3811400 CPU: 11465.6, 0.00302791/step Wall: 11465.6, 0.00302791/step, 0.999716 hours remaining, 209.097656 MB of memory in use. ENERGY: 3811400 727.7065 2143.7204 1928.5706 123.9667 -206199.7551 17641.2282 0.0000 0.0000 34221.8977 -149412.6650 298.8683 -183634.5627 -149322.1886 300.0873 -54.4111 -23.5724 556889.6825 13.4123 13.3408 PRESSURE: 3811600 -215.789 19.2348 126.994 19.235 67.4522 -153.424 126.995 -153.424 18.4688 GPRESSURE: 3811600 -161.801 116.754 167.066 32.4778 75.0658 -100.246 94.3389 -178.04 38.5846 PRESSAVG: 3811600 52.1289 9.2121 -15.2865 9.21208 -27.8919 -42.4275 -15.2866 -42.4274 -70.6031 GPRESSAVG: 3811600 53.7104 8.56583 -12.5312 9.73634 -29.0821 -38.9084 -15.6936 -43.0985 -71.0318 TIMING: 3811600 CPU: 11466.2, 0.00301568/step Wall: 11466.2, 0.00301568/step, 0.99551 hours remaining, 209.097656 MB of memory in use. ENERGY: 3811600 710.9654 2111.6320 1929.4876 114.2641 -206132.8471 17703.6688 0.0000 0.0000 34168.8876 -149393.9416 298.4054 -183562.8292 -149294.8568 298.2503 -43.2894 -16.0501 557848.7877 -15.4554 -15.4679 PRESSURE: 3811800 18.1211 -110.209 -0.761611 -110.208 82.5897 131.715 -0.762183 131.716 -128.047 GPRESSURE: 3811800 76.124 -146.655 -35.1319 -108.524 85.318 95.0607 75.5622 90.2127 -83.5509 PRESSAVG: 3811800 23.2023 -58.5998 13.9884 -58.5998 -8.44692 -4.69972 13.9885 -4.69995 -44.8615 GPRESSAVG: 3811800 22.0679 -58.2194 12.8599 -57.5178 -9.23843 -7.85666 14.8598 -3.68816 -43.2114 TIMING: 3811800 CPU: 11466.8, 0.00302469/step Wall: 11466.8, 0.00302469/step, 0.998316 hours remaining, 209.097656 MB of memory in use. ENERGY: 3811800 729.9199 2069.6025 1911.7087 110.9215 -206009.2955 17815.9987 0.0000 0.0000 34189.8233 -149181.3209 298.5882 -183371.1442 -149088.8391 298.7207 -9.1120 25.9637 557807.4724 -10.0354 -10.1273 PRESSURE: 3812000 203.527 35.2717 59.7078 35.2716 43.9264 212.042 59.707 212.041 186.82 GPRESSURE: 3812000 215.682 3.26705 110.605 -30.6179 90.5363 165.475 81.2057 290.523 230.304 PRESSAVG: 3812000 -16.5552 42.2109 52.3225 42.2108 -11.9936 29.8626 52.3227 29.8625 60.5678 GPRESSAVG: 3812000 -16.6221 42.0557 51.9183 41.483 -10.8371 28.9775 51.9424 27.4577 59.3403 TIMING: 3812000 CPU: 11467.4, 0.00298712/step Wall: 11467.4, 0.00298712/step, 0.98575 hours remaining, 209.097656 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: 3812000 727.2702 2129.3437 1926.4559 113.7849 -206380.7959 17995.1480 0.0000 0.0000 34300.3440 -149188.4491 299.5534 -183488.7931 -149097.3638 299.3175 144.7581 178.8408 556853.9411 10.6730 10.6270 PRESSURE: 3812200 -24.0757 7.45621 148.521 7.45637 -246.222 4.62033 148.521 4.61943 9.77555 GPRESSURE: 3812200 -9.42814 -61.8744 144.693 58.9117 -199.779 22.6919 156.368 -12.1118 39.3731 PRESSAVG: 3812200 30.135 -11.1852 50.9357 -11.1853 -5.46567 -5.99873 50.9356 -5.99876 -26.9266 GPRESSAVG: 3812200 30.147 -9.71242 51.5971 -12.8758 -5.426 -4.39782 49.983 -3.82603 -27.4021 TIMING: 3812200 CPU: 11468, 0.00308808/step Wall: 11468, 0.00308808/step, 1.01889 hours remaining, 209.097656 MB of memory in use. ENERGY: 3812200 735.4414 2104.8858 1944.6243 116.9807 -205779.8762 17642.3871 0.0000 0.0000 34168.2952 -149067.2618 298.4002 -183235.5570 -148977.0977 299.2859 -86.8406 -56.6113 558202.0091 -0.7524 -0.8937 LDB: ============= START OF LOAD BALANCING ============== 11471.5 LDB: ============== END OF LOAD BALANCING =============== 11471.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11471.5 LDB: ============= START OF LOAD BALANCING ============== 11471.8 LDB: Largest compute 4802 load 0.029048 is 24.6% of average load 0.118299 LDB: Average compute 0.001726 is 1.5% of average load 0.118299 LDB: TIME 11471.9 LOAD: AVG 0.118299 MAX 0.213674 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.711 MB LDB: TIME 11471.9 LOAD: AVG 0.118299 MAX 0.213674 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.953 MB LDB: TIME 11471.9 LOAD: AVG 0.118299 MAX 0.213674 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.953 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11471.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11471.9 PRESSURE: 3812400 57.9084 15.7245 24.9116 15.7262 -150.845 -97.7761 24.9119 -97.7768 -341.871 GPRESSURE: 3812400 83.886 -11.8913 112.857 54.2306 -118.759 -171.566 -58.444 -24.2316 -296.895 PRESSAVG: 3812400 19.699 7.37522 11.4028 7.37521 -20.1032 1.10647 11.4028 1.10649 8.01303 GPRESSAVG: 3812400 19.5957 3.85432 11.4105 9.79079 -20.5197 0.754781 12.1459 1.91342 8.62257 TIMING: 3812400 CPU: 11468.6, 0.00309411/step Wall: 11468.6, 0.00309411/step, 1.02071 hours remaining, 209.800781 MB of memory in use. ENERGY: 3812400 735.3857 2123.1943 1948.1421 124.9172 -206102.2445 17802.6044 0.0000 0.0000 34550.4158 -148817.5851 301.7374 -183368.0009 -148722.4846 300.8400 -144.9358 -110.5891 559264.7933 2.5363 2.5662 PRESSURE: 3812600 -31.1318 131.519 15.9086 131.518 -110.158 101.421 15.9088 101.422 -339.018 GPRESSURE: 3812600 -17.7335 103.174 -51.9562 83.7575 -91.9359 37.7392 76.8375 83.9467 -269.392 PRESSAVG: 3812600 93.4543 53.856 19.698 53.8561 -31.3056 2.25671 19.698 2.2566 -16.2689 GPRESSAVG: 3812600 94.307 55.6959 18.9026 50.3959 -32.4212 2.28087 19.4181 1.85885 -15.7956 TIMING: 3812600 CPU: 11469.2, 0.00300234/step Wall: 11469.2, 0.00300234/step, 0.990271 hours remaining, 210.003906 MB of memory in use. ENERGY: 3812600 734.0335 2116.9439 1922.6359 113.7601 -205647.1541 17552.4439 0.0000 0.0000 34478.8792 -148728.4576 301.1126 -183207.3368 -148627.1538 300.6654 -160.1026 -126.3536 557849.3936 15.2932 15.3634 PRESSURE: 3812800 155.93 44.1321 -12.8769 44.1334 -143.739 -77.2614 -12.8771 -77.2625 25.6771 GPRESSURE: 3812800 177.632 139.596 -63.6417 -8.32331 -95.2595 -67.1025 -82.3267 -25.4617 58.9707 PRESSAVG: 3812800 32.7859 18.5811 40.7282 18.581 64.5677 43.2759 40.7281 43.2757 -66.1222 GPRESSAVG: 3812800 31.7535 19.0108 42.2124 20.5254 65.7943 44.0604 39.3271 41.5069 -66.7677 TIMING: 3812800 CPU: 11469.8, 0.00299619/step Wall: 11469.8, 0.00299619/step, 0.988076 hours remaining, 210.003906 MB of memory in use. ENERGY: 3812800 767.0521 2107.2964 1924.4139 99.3050 -206027.0136 17953.4724 0.0000 0.0000 34388.0618 -148787.4121 300.3195 -183175.4739 -148695.3734 300.7575 12.6226 47.1144 560006.0411 10.4104 10.2600 PRESSURE: 3813000 9.8377 155.174 -159.466 155.174 26.6786 -112.08 -159.467 -112.082 -11.9959 GPRESSURE: 3813000 47.7087 89.9287 -185.156 140.932 47.7479 -103.122 -133.679 -159.015 28.6487 PRESSAVG: 3813000 51.3081 3.67983 -10.0314 3.67973 -17.0541 -34.2217 -10.0315 -34.2216 -29.2164 GPRESSAVG: 3813000 52.4744 4.86578 -11.5095 3.13755 -18.2988 -33.7803 -9.76691 -31.679 -29.1682 TIMING: 3813000 CPU: 11470.4, 0.00298532/step Wall: 11470.4, 0.00298532/step, 0.984326 hours remaining, 210.003906 MB of memory in use. ENERGY: 3813000 723.2456 2056.8967 1960.3657 116.9449 -206183.3401 17904.8076 0.0000 0.0000 34478.2967 -148942.7829 301.1075 -183421.0796 -148846.9054 300.1987 8.1734 41.3684 558953.1572 1.6792 1.6691 PRESSURE: 3813200 -57.7569 50.5592 105.543 50.5582 88.9528 -127.987 105.543 -127.986 30.8484 GPRESSURE: 3813200 -54.6957 64.2091 146.192 13.5641 187.052 -73.8934 109.888 -59.2153 19.4335 PRESSAVG: 3813200 -44.6652 67.51 -7.69638 67.51 55.1775 -6.62932 -7.69643 -6.62932 -20.1888 GPRESSAVG: 3813200 -44.5792 66.058 -4.5748 66.1894 56.039 -7.80723 -10.566 -8.55894 -20.9672 TIMING: 3813200 CPU: 11471, 0.00299498/step Wall: 11471, 0.00299498/step, 0.987343 hours remaining, 210.003906 MB of memory in use. ENERGY: 3813200 742.4311 2078.3222 1949.6329 117.6370 -206034.4495 17857.9803 0.0000 0.0000 34430.0061 -148858.4400 300.6858 -183288.4460 -148760.4328 300.4883 20.6814 50.5965 558939.1150 -3.2255 -3.1692 PRESSURE: 3813400 133.495 -182.289 215.146 -182.289 152.85 -104.028 215.147 -104.028 -9.63755 GPRESSURE: 3813400 177.716 -104.672 148.751 -151.846 171.784 -126.463 114.018 -118.035 28.2432 PRESSAVG: 3813400 62.2935 -23.1595 35.2157 -23.1594 7.93691 9.20104 35.2156 9.20108 -66.1313 GPRESSAVG: 3813400 62.2286 -22.4645 30.7185 -21.4011 8.60615 8.75052 40.1055 10.3842 -66.1527 TIMING: 3813400 CPU: 11471.6, 0.00297115/step Wall: 11471.6, 0.00297115/step, 0.979323 hours remaining, 210.207031 MB of memory in use. ENERGY: 3813400 755.9746 2008.9875 1912.8457 119.2990 -206153.6694 17918.7423 0.0000 0.0000 34610.8799 -148826.9403 302.2654 -183437.8202 -148732.0119 299.7740 92.2359 125.9147 558758.2919 1.3664 1.5607 PRESSURE: 3813600 28.2777 -113.438 -9.96073 -113.437 88.1459 65.0655 -9.962 65.0637 77.9291 GPRESSURE: 3813600 82.4358 -34.4158 -129.259 -92.8306 144.152 79.6794 139.249 97.9152 54.6012 PRESSAVG: 3813600 10.4181 28.072 6.37143 28.072 41.7641 19.504 6.3715 19.5039 -41.8467 GPRESSAVG: 3813600 11.3601 27.6456 7.66551 29.4866 41.6223 18.7784 5.20173 20.1453 -42.9712 TIMING: 3813600 CPU: 11472.2, 0.00302634/step Wall: 11472.2, 0.00302634/step, 0.997346 hours remaining, 210.207031 MB of memory in use. ENERGY: 3813600 757.0936 2076.4159 1947.9192 110.8366 -206004.9583 17997.3137 0.0000 0.0000 34268.4027 -148846.9767 299.2745 -183115.3793 -148755.8243 299.5651 64.7842 93.7295 557689.1020 3.4452 3.3371 PRESSURE: 3813800 -95.8259 101.029 -42.6542 101.03 -256.093 200.051 -42.6534 200.052 -178.945 GPRESSURE: 3813800 -92.8818 152.851 -60.7261 110.345 -249.527 188.274 -58.3035 133.807 -105.707 PRESSAVG: 3813800 57.8985 -30.1166 -15.0485 -30.1165 -27.6 17.9162 -15.0485 17.9161 -21.4322 GPRESSAVG: 3813800 56.0346 -27.8389 -14.5365 -31.9046 -28.4905 18.3245 -14.6232 16.3158 -19.3272 TIMING: 3813800 CPU: 11472.8, 0.00299104/step Wall: 11472.8, 0.00299104/step, 0.985549 hours remaining, 210.207031 MB of memory in use. ENERGY: 3813800 736.2027 2033.4346 1968.6572 104.1070 -205358.4457 17377.7813 0.0000 0.0000 34223.5598 -148914.7031 298.8829 -183138.2629 -148820.7131 299.7575 -176.9547 -149.3720 558709.7829 2.9554 2.7390 PRESSURE: 3814000 72.8877 0.193998 -87.9167 0.193491 -56.9609 36.9861 -87.919 36.9868 329.956 GPRESSURE: 3814000 74.4259 -41.005 -51.5611 -48.7005 -22.3001 -2.91745 -76.423 17.4088 403.805 PRESSAVG: 3814000 8.54787 -7.72668 15.5489 -7.72665 46.9835 -28.9044 15.5488 -28.9044 -51.2158 GPRESSAVG: 3814000 8.64621 -9.36419 16.3964 -6.14403 46.9488 -29.3685 14.6491 -28.9718 -51.3318 TIMING: 3814000 CPU: 11473.4, 0.00297181/step Wall: 11473.4, 0.00297181/step, 0.979045 hours remaining, 210.207031 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: 3814000 759.1935 2040.6330 1918.4272 112.7847 -206018.1575 18007.6125 0.0000 0.0000 34428.6521 -148750.8545 300.6740 -183179.5065 -148655.6236 299.5127 115.2944 151.9769 558976.7307 1.4385 1.4210 PRESSURE: 3814200 32.8963 -39.7107 -187.496 -39.7106 77.5216 -57.9948 -187.496 -57.9945 -150.321 GPRESSURE: 3814200 92.584 -70.1631 -229.133 -13.6646 82.2752 0.605931 -202.235 -114.975 -106.45 PRESSAVG: 3814200 -30.1265 -62.2986 -36.6403 -62.2985 18.0336 38.096 -36.6403 38.096 18.5666 GPRESSAVG: 3814200 -30.3746 -63.5344 -35.4345 -63.2007 17.004 38.6905 -37.7391 37.3792 19.5406 TIMING: 3814200 CPU: 11474, 0.00298439/step Wall: 11474, 0.00298439/step, 0.983023 hours remaining, 210.207031 MB of memory in use. ENERGY: 3814200 754.9368 2051.0893 1926.9200 115.0590 -205917.1079 17835.0239 0.0000 0.0000 34338.4366 -148895.6423 299.8861 -183234.0789 -148802.9785 299.9654 -13.3011 22.8030 558345.3307 2.1579 2.0566 PRESSURE: 3814400 -178.22 48.4633 17.5104 48.465 6.52464 -123.931 17.5111 -123.932 -26.4811 GPRESSURE: 3814400 -110.513 -8.95606 -62.702 21.9472 58.1196 -281.8 53.5435 -116.026 -51.2855 PRESSAVG: 3814400 -25.5513 19.1731 20.9777 19.173 42.5971 -12.3072 20.9778 -12.3072 -11.4094 GPRESSAVG: 3814400 -25.5134 18.3515 19.8816 18.9368 44.235 -15.3586 22.0793 -9.58561 -13.164 TIMING: 3814400 CPU: 11474.6, 0.0029906/step Wall: 11474.6, 0.0029906/step, 0.984904 hours remaining, 210.207031 MB of memory in use. ENERGY: 3814400 757.7580 2079.3171 1916.4527 110.5152 -205768.2362 17579.2978 0.0000 0.0000 34403.7866 -148921.1088 300.4568 -183324.8954 -148821.8815 299.3217 -66.0589 -34.5595 558016.7691 1.8788 1.8525 PRESSURE: 3814600 -310.602 80.0935 46.2034 80.0921 -42.0957 4.66316 46.2029 4.66355 -74.3023 GPRESSURE: 3814600 -265.157 184.787 37.5126 52.7416 15.7042 45.1378 70.9309 -55.2412 -63.0179 PRESSAVG: 3814600 19.8131 17.2774 -3.46243 17.2774 47.3291 -44.2428 -3.46235 -44.2429 -84.1148 GPRESSAVG: 3814600 20.6496 18.4774 -4.79917 17.7355 46.4291 -41.1783 -2.11163 -46.7953 -83.6749 TIMING: 3814600 CPU: 11475.2, 0.00298776/step Wall: 11475.2, 0.00298776/step, 0.983802 hours remaining, 210.207031 MB of memory in use. ENERGY: 3814600 774.7061 2028.8362 1952.9397 116.8606 -205600.4698 17532.9586 0.0000 0.0000 34220.6744 -148973.4943 298.8577 -183194.1686 -148887.7585 300.1561 -142.3334 -104.1568 557300.1604 -5.6575 -5.5321 PRESSURE: 3814800 80.0855 247.197 -86.5074 247.197 44.2932 106.584 -86.5074 106.586 -188.353 GPRESSURE: 3814800 113.178 245.939 -122.707 251.216 95.312 87.6171 -77.3049 148.899 -177.267 PRESSAVG: 3814800 12.641 38.9436 -45.3889 38.9436 -41.7274 -25.9386 -45.389 -25.9386 10.4641 GPRESSAVG: 3814800 12.1457 37.3645 -46.7106 39.6834 -40.4931 -26.3749 -46.8729 -24.9768 9.54496 TIMING: 3814800 CPU: 11475.8, 0.00297841/step Wall: 11475.8, 0.00297841/step, 0.980559 hours remaining, 210.207031 MB of memory in use. ENERGY: 3814800 746.7387 2096.0450 1947.2430 109.8184 -205840.0467 17770.6119 0.0000 0.0000 34318.6632 -148850.9266 299.7134 -183169.5898 -148757.1426 300.0113 -21.3249 10.4075 559836.0825 -6.2074 -6.2675 PRESSURE: 3815000 -314.488 -43.5271 -66.2506 -43.5285 -84.4268 -78.5006 -66.2511 -78.4998 -100.327 GPRESSURE: 3815000 -267.115 -90.0214 -66.5459 -19.1616 -70.3978 -93.404 -42.755 -81.8169 -57.8068 PRESSAVG: 3815000 -60.3052 -5.3486 -73.323 -5.34868 36.6346 -22.4499 -73.3229 -22.4499 58.3096 GPRESSAVG: 3815000 -59.2193 -1.93928 -71.5901 -7.63419 34.9218 -23.7272 -71.9499 -22.851 58.9287 TIMING: 3815000 CPU: 11476.4, 0.00298231/step Wall: 11476.4, 0.00298231/step, 0.981678 hours remaining, 210.207031 MB of memory in use. ENERGY: 3815000 754.1334 2044.8404 1949.3283 125.6100 -205486.9880 17540.6470 0.0000 0.0000 34238.7394 -148833.6895 299.0154 -183072.4289 -148732.7964 299.8269 -166.4139 -131.7733 559248.6777 11.5463 11.5437 PRESSURE: 3815200 -0.57301 95.6269 -67.5889 95.627 -66.5921 -6.11148 -67.5881 -6.10977 -57.6121 GPRESSURE: 3815200 -48.5194 59.5169 -55.6407 84.2412 21.3481 6.39146 -37.9653 47.0708 13.9188 PRESSAVG: 3815200 -14.3124 -38.2173 -19.6858 -38.2173 31.8095 -74.1217 -19.6858 -74.1218 -30.1189 GPRESSAVG: 3815200 -15.4853 -40.4275 -16.708 -37.6666 33.4884 -73.2765 -20.7772 -74.3702 -30.005 TIMING: 3815200 CPU: 11477, 0.00298518/step Wall: 11477, 0.00298518/step, 0.982456 hours remaining, 210.207031 MB of memory in use. ENERGY: 3815200 763.1445 2091.8021 1921.2311 115.0232 -205952.9963 17799.1716 0.0000 0.0000 34486.8906 -148775.7331 301.1826 -183262.6237 -148673.8261 299.7418 -41.5924 -4.4175 558553.7275 -4.2073 -4.0006 PRESSURE: 3815400 -186.678 -41.9429 -74.8451 -41.943 -399.246 -95.0611 -74.8459 -95.0604 -171.522 GPRESSURE: 3815400 -143.269 39.7899 -21.6723 -76.0605 -361.94 -101.624 -54.452 -145.946 -149.073 PRESSAVG: 3815400 25.445 -7.86016 2.3044 -7.86016 31.7741 30.2526 2.30447 30.2526 21.2784 GPRESSAVG: 3815400 25.8551 -7.08036 1.71787 -6.89494 30.1139 28.5395 2.85957 31.0307 22.3835 TIMING: 3815400 CPU: 11477.6, 0.00296485/step Wall: 11477.6, 0.00296485/step, 0.975601 hours remaining, 210.207031 MB of memory in use. ENERGY: 3815400 740.7729 2098.7388 1992.3762 99.9379 -205583.5052 17395.6119 0.0000 0.0000 34464.6578 -148791.4096 300.9884 -183256.0674 -148692.1499 300.3092 -252.4819 -218.0941 559670.3872 26.1658 26.1175 PRESSURE: 3815600 -97.7242 12.7131 -124.088 12.7141 48.0308 -30.4069 -124.089 -30.4081 -76.9929 GPRESSURE: 3815600 -122.181 -50.148 -121.405 22.6877 98.4122 66.0174 -121.129 -55.1562 1.44445 PRESSAVG: 3815600 13.7823 53.3515 -39.3073 53.3514 -38.6104 66.0544 -39.3074 66.0545 17.9332 GPRESSAVG: 3815600 13.9888 53.0418 -42.0032 52.1788 -38.4862 66.4519 -38.5189 66.0611 17.8033 TIMING: 3815600 CPU: 11478.2, 0.0029665/step Wall: 11478.2, 0.0029665/step, 0.975977 hours remaining, 210.207031 MB of memory in use. ENERGY: 3815600 750.9794 2090.0924 1912.3974 103.8522 -205710.4190 17674.9548 0.0000 0.0000 34329.2361 -148848.9068 299.8058 -183178.1429 -148752.1914 300.0674 -42.2288 -7.4415 557928.1983 -2.2983 -2.2314 PRESSURE: 3815800 254.663 206.951 -69.0866 206.951 138.479 72.0603 -69.0853 72.0598 308.961 GPRESSURE: 3815800 358.562 233.534 -61.2803 131.575 113.35 -32.653 -44.2175 77.0874 326.955 PRESSAVG: 3815800 -33.855 -23.1617 -45.2096 -23.1616 46.9248 -1.04356 -45.2096 -1.04353 30.4163 GPRESSAVG: 3815800 -35.3521 -21.7176 -42.8242 -21.1783 48.4947 -0.76505 -45.6539 0.226059 30.3773 TIMING: 3815800 CPU: 11478.8, 0.00295475/step Wall: 11478.8, 0.00295475/step, 0.971948 hours remaining, 210.207031 MB of memory in use. ENERGY: 3815800 712.5424 2119.7279 1932.6479 109.0331 -206034.2190 17970.6046 0.0000 0.0000 34283.5871 -148906.0760 299.4071 -183189.6632 -148813.5380 299.9314 234.0343 266.2889 556874.9850 14.4954 14.5067 PRESSURE: 3816000 60.9428 -36.3987 157.919 -36.3998 -53.3833 118.289 157.92 118.29 -109.125 GPRESSURE: 3816000 48.504 13.1695 158.215 -39.2756 31.8556 170.778 188.383 81.0006 -79.4762 PRESSAVG: 3816000 -26.6309 -11.3825 3.54492 -11.3824 9.42171 38.061 3.54494 38.0611 27.4566 GPRESSAVG: 3816000 -25.5643 -14.3151 1.71766 -10.4733 7.51651 38.8671 2.59758 35.8331 28.385 TIMING: 3816000 CPU: 11479.4, 0.00300438/step Wall: 11479.4, 0.00300438/step, 0.988109 hours remaining, 210.207031 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: 3816000 757.2528 2069.3782 1951.7125 108.1857 -206252.5529 17863.3904 0.0000 0.0000 34544.1590 -148958.4743 301.6827 -183502.6333 -148863.0052 299.7332 -33.8553 0.2945 557375.8251 3.4158 3.4457 PRESSURE: 3816200 -231.257 -20.6092 -159.891 -20.6091 105.374 -12.2212 -159.89 -12.2209 155.497 GPRESSURE: 3816200 -161.247 33.5086 -121.137 -15.6252 139.35 -30.6523 -119.125 2.97372 152.772 PRESSAVG: 3816200 49.8556 -26.8472 29.1314 -26.8473 31.3216 34.9658 29.1312 34.9657 -61.1221 GPRESSAVG: 3816200 50.7276 -25.7015 29.8894 -27.8083 32.1797 33.9651 29.6184 36.6252 -62.7799 TIMING: 3816200 CPU: 11480, 0.00297789/step Wall: 11480, 0.00297789/step, 0.979228 hours remaining, 210.207031 MB of memory in use. ENERGY: 3816200 764.0970 2091.1284 1946.1724 108.3954 -206201.1699 17869.4253 0.0000 0.0000 34315.8535 -149106.0980 299.6889 -183421.9514 -149012.2693 299.8909 9.8711 43.6247 557462.3598 6.6850 6.7091 LDB: ============= START OF LOAD BALANCING ============== 11483.5 LDB: ============== END OF LOAD BALANCING =============== 11483.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11483.5 LDB: ============= START OF LOAD BALANCING ============== 11483.8 LDB: Largest compute 4802 load 0.028477 is 24.1% of average load 0.118265 LDB: Average compute 0.001724 is 1.5% of average load 0.118265 LDB: TIME 11483.8 LOAD: AVG 0.118265 MAX 0.211704 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.324 MB LDB: TIME 11483.8 LOAD: AVG 0.118265 MAX 0.211704 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.566 MB LDB: TIME 11483.8 LOAD: AVG 0.118265 MAX 0.211704 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.566 MB LDB: ============== END OF LOAD BALANCING =============== 11483.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11483.8 PRESSURE: 3816400 71.8293 12.8073 -88.4824 12.8078 25.7766 139.864 -88.4831 139.865 -158.514 GPRESSURE: 3816400 61.7452 17.7216 -113.815 89.6326 88.8672 212.199 -72.3164 40.1402 -114.539 PRESSAVG: 3816400 21.0097 29.4627 -27.8668 29.4628 -10.5456 14.9359 -27.8668 14.9358 -42.9617 GPRESSAVG: 3816400 21.0245 30.6584 -29.0061 29.3783 -10.9844 15.0959 -27.5306 14.2341 -42.3258 TIMING: 3816400 CPU: 11480.6, 0.00303551/step Wall: 11480.6, 0.00303551/step, 0.998007 hours remaining, 209.515625 MB of memory in use. ENERGY: 3816400 762.3632 2162.0368 1963.2858 102.7553 -206177.8332 17761.3877 0.0000 0.0000 34299.9985 -149126.0059 299.5504 -183426.0044 -149036.5477 299.8989 -20.3027 12.0245 557386.4719 -10.8325 -10.7619 PRESSURE: 3816600 32.2279 -34.02 -109.384 -34.0198 136.314 -355.375 -109.385 -355.376 -89.1208 GPRESSURE: 3816600 58.7992 16.7517 -51.0661 -66.7037 125.542 -279.322 -111.411 -380.001 -6.18277 PRESSAVG: 3816600 1.29569 -35.5639 -27.8373 -35.564 46.4312 56.8703 -27.8373 56.8704 -63.144 GPRESSAVG: 3816600 0.492431 -36.9859 -27.5084 -36.1733 46.2854 57.7082 -26.9504 58.2346 -62.4634 TIMING: 3816600 CPU: 11481.2, 0.00300028/step Wall: 11481.2, 0.00300028/step, 0.986258 hours remaining, 209.718750 MB of memory in use. ENERGY: 3816600 705.6595 2135.7478 1925.7956 100.3793 -205630.1249 17568.2439 0.0000 0.0000 34175.9887 -149018.3102 298.4674 -183194.2989 -148923.6373 299.3040 26.4738 59.3862 557289.5942 -5.1390 -5.2285 PRESSURE: 3816800 -123.941 258.564 80.5214 258.563 78.9478 -132.419 80.5228 -132.419 129.14 GPRESSURE: 3816800 -169.69 129.112 127.764 212.451 163.451 -176.172 101.576 -95.4351 187.317 PRESSAVG: 3816800 2.57416 29.6869 24.3544 29.6869 52.6145 0.248241 24.3544 0.248233 -6.30473 GPRESSAVG: 3816800 3.08662 29.6834 26.5918 30.5658 53.2163 -0.899621 24.1818 0.640049 -7.93837 TIMING: 3816800 CPU: 11481.8, 0.00299805/step Wall: 11481.8, 0.00299805/step, 0.985361 hours remaining, 209.718750 MB of memory in use. ENERGY: 3816800 731.2285 2047.5330 1943.5222 106.1523 -205881.6486 17791.3450 0.0000 0.0000 34216.1168 -149045.7508 298.8179 -183261.8676 -148947.5002 299.2953 28.0487 60.3591 557199.4464 16.2946 16.1215 PRESSURE: 3817000 -147.277 -52.9365 40.3721 -52.936 -68.4116 119.162 40.371 119.16 -189.464 GPRESSURE: 3817000 -120.193 -61.2139 4.37567 -17.0025 -30.5516 132.73 130.506 166.914 -155.81 PRESSAVG: 3817000 3.28701 -17.5153 26.5726 -17.5153 -17.4877 31.3089 26.5726 31.3089 -7.55442 GPRESSAVG: 3817000 3.67459 -15.8094 23.3788 -18.8489 -18.2425 33.2038 26.3005 29.895 -7.22202 TIMING: 3817000 CPU: 11482.4, 0.00299731/step Wall: 11482.4, 0.00299731/step, 0.984948 hours remaining, 209.718750 MB of memory in use. ENERGY: 3817000 716.9436 2124.8345 1952.4415 114.2725 -205895.2857 17430.3281 0.0000 0.0000 34457.5179 -149098.9476 300.9261 -183556.4655 -149000.1259 299.3754 -135.0508 -102.1851 556957.9447 -7.2517 -7.2633 PRESSURE: 3817200 3.08954 48.083 -124.476 48.083 -37.8942 19.2694 -124.476 19.2692 101.572 GPRESSURE: 3817200 52.7456 164.669 -166.808 -8.95264 -42.9389 3.15879 -53.6972 13.3012 153.934 PRESSAVG: 3817200 25.0846 -37.5795 17.0848 -37.5794 21.9381 36.1004 17.0848 36.1005 -45.714 GPRESSAVG: 3817200 23.4665 -36.9753 19.629 -39.713 21.8485 35.0658 15.6612 37.3435 -44.7108 TIMING: 3817200 CPU: 11483, 0.00296708/step Wall: 11483, 0.00296708/step, 0.974852 hours remaining, 209.718750 MB of memory in use. ENERGY: 3817200 750.1757 2067.4752 1927.4892 103.4348 -206032.4562 17822.8823 0.0000 0.0000 34253.9306 -149107.0686 299.1481 -183360.9992 -149010.7532 299.7505 22.2559 54.5803 557718.6400 0.4362 0.2014 PRESSURE: 3817400 -503.775 -127.35 56.5178 -127.351 -360.7 25.8748 56.5178 25.8765 -221.037 GPRESSURE: 3817400 -456.594 -168.299 16.475 -85.8415 -298.275 10.2901 65.4003 17.8779 -232.112 PRESSAVG: 3817400 13.0258 -12.1851 -17.0551 -12.185 58.8336 -6.19424 -17.0551 -6.19426 -44.9125 GPRESSAVG: 3817400 13.417 -12.037 -18.7255 -9.62738 58.3781 -6.58583 -17.0365 -5.95482 -44.7355 TIMING: 3817400 CPU: 11483.6, 0.00298099/step Wall: 11483.6, 0.00298099/step, 0.979255 hours remaining, 209.789062 MB of memory in use. ENERGY: 3817400 715.9413 2125.2827 1954.2366 113.9816 -205465.5443 17171.0109 0.0000 0.0000 34405.8361 -148979.2552 300.4747 -183385.0912 -148885.2842 299.7006 -361.8373 -328.9938 559539.1662 8.9823 9.0199 PRESSURE: 3817600 -61.116 -30.308 34.6749 -30.3079 146.952 14.9292 34.6751 14.9293 -5.24615 GPRESSURE: 3817600 -20.6217 -36.86 -43.8524 -21.5396 169.384 -73.2318 60.0639 -37.2614 26.891 PRESSAVG: 3817600 12.8555 12.6712 7.72962 12.6712 -10.5456 -25.2957 7.72956 -25.2957 -15.9831 GPRESSAVG: 3817600 12.1839 10.9253 6.62934 11.0672 -10.3653 -24.2782 10.0634 -26.5785 -16.1891 TIMING: 3817600 CPU: 11484.2, 0.00300353/step Wall: 11484.2, 0.00300353/step, 0.986493 hours remaining, 209.789062 MB of memory in use. ENERGY: 3817600 741.9491 2102.0256 1950.4373 120.4845 -206227.9723 17943.1533 0.0000 0.0000 34332.2892 -149037.6335 299.8324 -183369.9227 -148942.9040 299.4811 26.8632 58.5512 558135.0714 -4.5577 -4.7901 PRESSURE: 3817800 90.7132 -126.842 126.724 -126.841 -139.231 108.851 126.725 108.851 206.126 GPRESSURE: 3817800 118.148 -28.3268 41.0425 -240.177 -63.1765 47.8717 115.172 94.4017 204.183 PRESSAVG: 3817800 12.0468 -34.0083 61.0636 -34.0083 -16.7276 -17.7232 61.0636 -17.7233 41.166 GPRESSAVG: 3817800 12.2917 -34.8897 60.1146 -31.3101 -17.0134 -17.1147 60.5496 -17.9254 40.5686 TIMING: 3817800 CPU: 11484.8, 0.002978/step Wall: 11484.8, 0.002978/step, 0.977942 hours remaining, 209.789062 MB of memory in use. ENERGY: 3817800 745.8055 2037.0046 1951.6512 110.8038 -206554.9441 18159.3063 0.0000 0.0000 34478.8696 -149071.5031 301.1125 -183550.3727 -148979.7129 300.2140 52.5359 86.3846 557275.8810 12.1617 11.9490 PRESSURE: 3818000 3.49728 -122.407 77.1407 -122.407 68.3172 66.4898 77.1394 66.4903 343.476 GPRESSURE: 3818000 9.54719 -159.193 -3.4175 -97.8947 113.074 22.9767 105.119 106.685 397.193 PRESSAVG: 3818000 50.3417 -23.2982 20.1902 -23.2982 -58.4912 -10.404 20.1902 -10.404 5.26338 GPRESSAVG: 3818000 51.0874 -22.393 21.8054 -23.1942 -59.6573 -9.34533 21.0791 -9.47745 5.91167 TIMING: 3818000 CPU: 11485.4, 0.00295634/step Wall: 11485.4, 0.00295634/step, 0.970664 hours remaining, 209.789062 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: 3818000 735.8607 2067.8841 1962.9803 117.4800 -206481.9633 18121.6352 0.0000 0.0000 34302.1351 -149173.9878 299.5691 -183476.1229 -149086.2025 299.5321 138.4300 173.2715 556892.3261 -0.9620 -0.8861 PRESSURE: 3818200 46.4426 5.84186 30.7601 5.84116 41.3057 29.0084 30.7602 29.0095 -40.039 GPRESSURE: 3818200 88.9753 95.355 -30.1221 -38.1322 81.5268 -22.6892 68.7363 97.1202 -20.7135 PRESSAVG: 3818200 -55.9538 12.5867 11.3222 12.5867 14.6826 10.463 11.3222 10.4629 29.7397 GPRESSAVG: 3818200 -55.7116 12.7313 12.3998 11.5465 15.0296 9.50135 11.0327 11.1327 28.7828 TIMING: 3818200 CPU: 11486, 0.00295854/step Wall: 11486, 0.00295854/step, 0.971224 hours remaining, 209.789062 MB of memory in use. ENERGY: 3818200 750.0982 2036.4372 1945.7357 105.1692 -206391.3044 17912.7724 0.0000 0.0000 34215.4513 -149425.6404 298.8120 -183641.0917 -149326.8527 298.9549 15.9031 49.9295 556212.2300 -3.8439 -3.9664 PRESSURE: 3818400 -417.227 -7.36723 -80.4725 -7.36788 -134.961 -121.735 -80.4721 -121.737 -156.775 GPRESSURE: 3818400 -415.685 -34.6604 -111.606 19.2801 -128.176 -154.192 -72.5569 -72.5029 -72.9738 PRESSAVG: 3818400 -28.9392 24.55 -2.786 24.5501 9.60366 22.6514 -2.78598 22.6514 62.6876 GPRESSAVG: 3818400 -28.7722 23.4703 -3.25179 24.3543 9.0256 21.1101 -4.11966 24.4746 62.8031 TIMING: 3818400 CPU: 11486.6, 0.00297614/step Wall: 11486.6, 0.00297614/step, 0.976834 hours remaining, 209.789062 MB of memory in use. ENERGY: 3818400 708.9435 2092.6669 1942.5782 103.8650 -205834.4620 17503.0131 0.0000 0.0000 34124.2849 -149359.1104 298.0159 -183483.3953 -149261.6501 298.4412 -236.3210 -205.6117 559168.0911 14.4507 14.3522 PRESSURE: 3818600 -25.9528 -183.093 -27.8283 -183.092 149.465 -118.318 -27.8292 -118.319 362.43 GPRESSURE: 3818600 85.0403 -178.484 -21.3113 -141.791 153.398 -110.062 -21.0457 -83.3363 347.238 PRESSAVG: 3818600 -53.1317 53.5977 12.1423 53.5978 -26.7367 13.3075 12.1423 13.3074 60.6918 GPRESSAVG: 3818600 -53.791 56.2849 11.5445 52.4622 -26.5537 16.1425 12.8924 10.3874 60.9071 TIMING: 3818600 CPU: 11487.1, 0.00296752/step Wall: 11487.1, 0.00296752/step, 0.973843 hours remaining, 209.789062 MB of memory in use. ENERGY: 3818600 733.3105 2060.0389 1951.7872 127.9729 -206431.4472 17981.6670 0.0000 0.0000 34221.6015 -149355.0692 298.8658 -183576.6707 -149259.5092 299.0987 161.9809 195.2255 558162.5181 -6.3922 -6.4792 PRESSURE: 3818800 -195.895 69.9831 43.1982 69.9833 109.688 -88.6306 43.1977 -88.6317 273.968 GPRESSURE: 3818800 -137.588 83.079 25.0348 125.538 116.697 -206.194 85.4011 -7.09795 303.974 PRESSAVG: 3818800 -60.9736 -15.2426 -7.34501 -15.2426 -4.21026 -37.7863 -7.34508 -37.7863 61.5376 GPRESSAVG: 3818800 -59.8984 -15.6959 -7.04295 -12.7755 -3.53889 -39.1929 -8.04139 -36.5259 60.4016 TIMING: 3818800 CPU: 11487.7, 0.00299283/step Wall: 11487.7, 0.00299283/step, 0.981982 hours remaining, 209.789062 MB of memory in use. ENERGY: 3818800 743.9320 2097.6280 1930.7103 114.7695 -206184.6994 17779.6531 0.0000 0.0000 34141.8545 -149376.1520 298.1693 -183518.0065 -149276.4616 298.6015 62.5871 94.3614 557198.8480 -1.2154 -1.0119 PRESSURE: 3819000 -317.929 103.45 121.844 103.45 -220.107 74.544 121.844 74.5435 -259.347 GPRESSURE: 3819000 -324.528 83.1716 53.7174 177.427 -212.751 112.663 119.387 58.1074 -172.181 PRESSAVG: 3819000 -40.1004 44.0283 42.6047 44.0283 68.2389 -0.0375793 42.6046 -0.037612 -25.7535 GPRESSAVG: 3819000 -41.4853 43.0178 41.3467 43.5805 67.2481 -0.291539 42.5293 0.363716 -24.3523 TIMING: 3819000 CPU: 11488.3, 0.00300124/step Wall: 11488.3, 0.00300124/step, 0.984572 hours remaining, 209.789062 MB of memory in use. ENERGY: 3819000 740.7483 2028.4554 1970.3354 131.9067 -206040.1926 17395.2903 0.0000 0.0000 34250.4374 -149523.0191 299.1176 -183773.4565 -149431.0795 298.7897 -265.7946 -236.4868 558271.2004 0.7950 0.4701 PRESSURE: 3819200 139.672 -113.954 80.4502 -113.954 -1.2092 32.5115 80.45 32.5096 135.809 GPRESSURE: 3819200 168.486 -36.827 66.2137 -197.308 42.9009 21.7907 43.1991 58.6846 156.847 PRESSAVG: 3819200 -33.2222 -9.10225 24.1099 -9.10238 19.7487 6.50733 24.1099 6.50725 32.7067 GPRESSAVG: 3819200 -32.4486 -7.28425 23.3006 -10.5051 19.9135 5.88967 25.3484 6.30641 32.3814 TIMING: 3819200 CPU: 11488.9, 0.00298708/step Wall: 11488.9, 0.00298708/step, 0.979763 hours remaining, 209.789062 MB of memory in use. ENERGY: 3819200 734.2788 2040.2505 1966.3877 107.0701 -206530.6000 17885.1467 0.0000 0.0000 34351.5968 -149445.8694 300.0010 -183797.4662 -149353.4777 298.2736 91.4240 122.7446 556293.7246 6.4111 6.6154 PRESSURE: 3819400 224.402 163.24 118.574 163.24 226.824 51.4373 118.574 51.44 -264.394 GPRESSURE: 3819400 303.982 158.275 114.392 139.441 205.275 46.3383 166.202 55.9172 -234.715 PRESSAVG: 3819400 35.6541 7.45905 55.035 7.4591 8.72344 -2.93807 55.035 -2.93805 -24.8192 GPRESSAVG: 3819400 35.6765 4.34524 57.2257 8.53925 9.235 -1.30511 51.7646 -3.1095 -25.3696 TIMING: 3819400 CPU: 11489.5, 0.00300114/step Wall: 11489.5, 0.00300114/step, 0.984207 hours remaining, 209.789062 MB of memory in use. ENERGY: 3819400 715.2795 2053.6445 1948.7609 104.6710 -206229.2624 17877.2338 0.0000 0.0000 34078.5478 -149451.1249 297.6164 -183529.6727 -149354.8522 297.9354 62.2774 91.5141 556338.2054 6.5194 6.5140 PRESSURE: 3819600 107.772 118.921 -147.78 118.921 -52.4883 -47.0661 -147.781 -47.0658 -187.926 GPRESSURE: 3819600 96.7562 89.4951 -187.715 132.017 -9.62095 -98.0571 -169.985 32.5359 -131.177 PRESSAVG: 3819600 -23.6681 -8.58586 31.454 -8.58593 68.6445 -23.5174 31.4541 -23.5174 -31.9713 GPRESSAVG: 3819600 -24.1995 -8.56866 31.2361 -9.21633 67.211 -25.3139 33.4861 -23.8088 -29.5176 TIMING: 3819600 CPU: 11490.1, 0.00300454/step Wall: 11490.1, 0.00300454/step, 0.985155 hours remaining, 209.789062 MB of memory in use. ENERGY: 3819600 735.4728 2071.3835 1953.1615 110.6243 -206535.6655 17829.5431 0.0000 0.0000 34195.8501 -149639.6302 298.6409 -183835.4803 -149540.5959 297.7009 -44.2142 -14.6806 556630.8086 4.3350 4.4980 PRESSURE: 3819800 231.795 -14.2706 -22.6188 -14.2709 -20.7269 -191.906 -22.6177 -191.905 162.792 GPRESSURE: 3819800 290.568 18.9902 -49.4542 -58.1836 -23.943 -147.061 -4.09201 -193.363 200.795 PRESSAVG: 3819800 32.2266 -9.0279 -4.72731 -9.02795 11.9851 -27.8597 -4.72728 -27.8597 -8.10633 GPRESSAVG: 3819800 34.1076 -7.08457 -2.45401 -8.10238 11.8961 -25.7063 -5.76259 -29.5639 -9.83447 TIMING: 3819800 CPU: 11490.7, 0.00297807/step Wall: 11490.7, 0.00297807/step, 0.97631 hours remaining, 209.789062 MB of memory in use. ENERGY: 3819800 738.4953 2066.2179 1978.0012 111.4056 -206775.6316 18083.6978 0.0000 0.0000 34130.9861 -149666.8277 298.0744 -183797.8138 -149570.5380 297.9292 124.6203 155.8066 557204.1202 12.0351 12.0564 PRESSURE: 3820000 -32.6107 -58.6405 -178.284 -58.6409 200.963 -38.6524 -178.284 -38.6521 28.7388 GPRESSURE: 3820000 -25.5842 -99.7229 -102.391 -67.4657 253.57 -36.114 -173.244 -110.418 62.9036 PRESSAVG: 3820000 -31.1156 -60.9217 -0.0488725 -60.9216 -34.8004 -12.0461 -0.048766 -12.0461 47.7393 GPRESSAVG: 3820000 -32.5697 -62.2109 -2.78672 -62.0392 -33.9393 -11.914 3.52022 -12.2285 48.5749 TIMING: 3820000 CPU: 11491.3, 0.00297555/step Wall: 11491.3, 0.00297555/step, 0.975318 hours remaining, 209.789062 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: 3820000 745.1051 2062.5731 1964.8369 109.4134 -206766.9822 18009.5739 0.0000 0.0000 34271.6316 -149603.8481 299.3027 -183875.4797 -149499.8675 298.4441 65.6970 96.9630 556311.8066 -6.0589 -5.9780 PRESSURE: 3820200 5.68967 -61.174 52.9977 -61.1742 -175.855 118.677 52.9983 118.676 -3.31317 GPRESSURE: 3820200 42.1402 -61.8812 -49.1998 -82.7069 -144.976 25.8893 138.445 44.3881 22.9845 PRESSAVG: 3820200 4.50934 -21.7384 18.7887 -21.7385 22.2144 2.00628 18.7887 2.00613 8.93427 GPRESSAVG: 3820200 4.24579 -21.6135 19.295 -21.5035 22.6068 1.72282 17.3651 1.70968 8.90995 TIMING: 3820200 CPU: 11491.9, 0.00298914/step Wall: 11491.9, 0.00298914/step, 0.979609 hours remaining, 209.789062 MB of memory in use. ENERGY: 3820200 741.7178 2059.1608 1959.6283 107.0082 -206268.6698 17654.3725 0.0000 0.0000 34093.1925 -149653.5896 297.7443 -183746.7821 -149553.9428 297.8192 -57.8263 -26.6171 556984.3783 11.8860 11.9208 LDB: ============= START OF LOAD BALANCING ============== 11495.5 LDB: ============== END OF LOAD BALANCING =============== 11495.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11495.5 LDB: ============= START OF LOAD BALANCING ============== 11495.8 LDB: Largest compute 4802 load 0.028357 is 24.0% of average load 0.118320 LDB: Average compute 0.001719 is 1.5% of average load 0.118320 LDB: TIME 11495.8 LOAD: AVG 0.11832 MAX 0.215427 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.336 MB LDB: TIME 11495.8 LOAD: AVG 0.11832 MAX 0.215427 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.402 MB LDB: TIME 11495.8 LOAD: AVG 0.11832 MAX 0.215427 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.402 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11495.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11495.8 PRESSURE: 3820400 -359.506 -192.013 -94.2052 -192.013 25.3584 84.4233 -94.2059 84.4243 -154.51 GPRESSURE: 3820400 -335.91 -180.088 -89.7804 -195.477 46.7825 60.3578 -35.5795 122.078 -90.8275 PRESSAVG: 3820400 -1.72014 -79.6734 0.238744 -79.6734 29.3154 20.3949 0.238715 20.3949 -47.1708 GPRESSAVG: 3820400 -1.53243 -79.0013 -0.474258 -80.3707 28.9453 20.4488 1.23732 20.383 -47.1041 TIMING: 3820400 CPU: 11492.5, 0.00306939/step Wall: 11492.5, 0.00306939/step, 1.00574 hours remaining, 208.851562 MB of memory in use. ENERGY: 3820400 756.8220 2027.6821 1971.7228 109.2095 -206287.7438 17730.3051 0.0000 0.0000 34011.8520 -149680.1502 297.0340 -183692.0022 -149580.6403 298.0524 -162.8860 -126.6515 557606.5145 -6.5252 -6.5637 PRESSURE: 3820600 301.406 -35.3274 -125.451 -35.3274 -130.672 22.3175 -125.452 22.3174 67.5213 GPRESSURE: 3820600 334.762 -77.6949 -187.815 -11.8226 -102.765 118.11 -78.8629 43.1311 84.1545 PRESSAVG: 3820600 -8.2111 -61.4145 -51.692 -61.4145 1.26117 -15.9813 -51.692 -15.9814 -6.84992 GPRESSAVG: 3820600 -8.25316 -62.8821 -52.1322 -60.991 2.00396 -15.9044 -52.7578 -13.3957 -7.32596 TIMING: 3820600 CPU: 11493.1, 0.00300582/step Wall: 11493.1, 0.00300582/step, 0.984741 hours remaining, 209.054688 MB of memory in use. ENERGY: 3820600 733.5896 2105.8793 1955.4682 114.5675 -206671.3196 18043.3391 0.0000 0.0000 34146.8253 -149571.6505 298.2127 -183718.4758 -149480.0674 297.8113 79.4185 105.3838 556161.2524 -4.6000 -4.5251 PRESSURE: 3820800 -111.383 -10.8913 10.8427 -10.8921 -45.5274 -159.375 10.842 -159.377 139.65 GPRESSURE: 3820800 -68.5485 46.0529 38.9269 -27.1785 4.4843 -304.149 -71.626 -168.694 147.03 PRESSAVG: 3820800 -13.0763 3.31535 1.85706 3.31538 48.2683 -4.41416 1.85705 -4.41412 -45.3484 GPRESSAVG: 3820800 -13.3423 2.34573 2.449 4.4412 48.3962 -3.8617 2.33372 -6.24416 -45.5565 TIMING: 3820800 CPU: 11493.7, 0.00296712/step Wall: 11493.7, 0.00296712/step, 0.971895 hours remaining, 209.054688 MB of memory in use. ENERGY: 3820800 731.3342 2065.5742 1947.4956 118.3410 -206373.9397 17816.0563 0.0000 0.0000 34240.9402 -149454.1981 299.0346 -183695.1384 -149363.5499 298.1868 -5.7536 27.6552 556735.4421 -3.3854 -3.5009 PRESSURE: 3821000 93.7856 206.321 -21.754 206.321 -21.7215 -22.142 -21.7542 -22.144 -193.76 GPRESSURE: 3821000 123.252 136.941 63.639 237.826 -10.3941 31.1227 -10.94 24.4998 -138.708 PRESSAVG: 3821000 51.0363 -10.3399 -32.063 -10.3399 -34.8589 17.5639 -32.063 17.5639 -26.5411 GPRESSAVG: 3821000 50.9346 -8.52342 -29.7712 -10.8673 -35.3924 17.6389 -33.0683 15.623 -26.4808 TIMING: 3821000 CPU: 11494.3, 0.00296494/step Wall: 11494.3, 0.00296494/step, 0.971018 hours remaining, 209.054688 MB of memory in use. ENERGY: 3821000 776.2433 2062.0784 1926.8358 111.7180 -206619.5604 18008.3226 0.0000 0.0000 34256.7586 -149477.6036 299.1728 -183734.3622 -149377.6489 298.2529 -40.5654 -8.6166 557457.2315 -3.4546 -3.6462 PRESSURE: 3821200 374.6 -55.4385 -119.876 -55.4375 -282.615 -48.1437 -119.877 -48.1429 7.1645 GPRESSURE: 3821200 420.05 -2.98482 -177.897 -64.9652 -196.94 -95.0495 -124.21 -29.8799 -25.5375 PRESSAVG: 3821200 32.8654 30.9303 -5.91595 30.9303 13.6741 3.7528 -5.91601 3.75297 -18.2581 GPRESSAVG: 3821200 32.2692 30.6456 -8.21208 30.2932 14.7979 1.14933 -4.20065 6.68462 -18.8317 TIMING: 3821200 CPU: 11494.9, 0.00295121/step Wall: 11494.9, 0.00295121/step, 0.966358 hours remaining, 209.054688 MB of memory in use. ENERGY: 3821200 712.9227 2059.3422 1960.0480 113.9368 -205990.8798 17729.1685 0.0000 0.0000 34048.1618 -149367.2999 297.3511 -183415.4616 -149274.2444 298.6106 33.0498 65.8574 556509.8487 9.4271 9.4118 PRESSURE: 3821400 341.252 165.081 -66.3263 165.081 141.715 -73.2456 -66.3269 -73.2446 355.635 GPRESSURE: 3821400 400.422 217.309 -132.086 153.549 179.254 -147.626 -123.814 -67.4338 355.782 PRESSAVG: 3821400 65.638 27.4467 -53.5431 27.4467 -100.795 -13.5659 -53.5431 -13.566 -7.18442 GPRESSAVG: 3821400 65.7347 26.3046 -52.7648 27.9338 -102.219 -12.0204 -52.881 -14.8607 -6.11219 TIMING: 3821400 CPU: 11495.5, 0.00297402/step Wall: 11495.5, 0.00297402/step, 0.973662 hours remaining, 209.054688 MB of memory in use. ENERGY: 3821400 733.9522 2122.2902 1968.9355 113.5903 -206357.6830 17918.9360 0.0000 0.0000 34060.3688 -149439.6100 297.4577 -183499.9788 -149354.2557 298.6636 279.5337 311.8195 554060.7741 -14.1140 -14.1990 PRESSURE: 3821600 -17.456 115.998 10.6727 115.999 -16.2996 13.5478 10.6731 13.5481 -112.065 GPRESSURE: 3821600 18.3657 106.656 4.65515 161.917 -12.1417 19.5746 30.2118 -42.5878 -60.9305 PRESSAVG: 3821600 6.26646 31.8543 -9.5442 31.8544 -32.8781 -0.61707 -9.54424 -0.617162 37.3533 GPRESSAVG: 3821600 6.67787 32.5668 -9.70061 33.6988 -32.2021 -1.40611 -10.7833 1.28138 36.4114 TIMING: 3821600 CPU: 11496.1, 0.00297445/step Wall: 11496.1, 0.00297445/step, 0.973635 hours remaining, 209.054688 MB of memory in use. ENERGY: 3821600 722.3717 2090.9012 1936.1785 103.5216 -206012.0787 17534.3862 0.0000 0.0000 34250.2845 -149374.4350 299.1163 -183624.7195 -149281.0384 298.4576 -48.6070 -18.2355 554802.7498 3.5806 3.6290 PRESSURE: 3821800 -80.2142 74.6288 -65.7278 74.6288 175.818 -56.5885 -65.7285 -56.5898 -7.55107 GPRESSURE: 3821800 -49.5243 103.92 -109.379 23.9249 234.359 -64.2673 -63.7561 -38.9321 8.52565 PRESSAVG: 3821800 19.8 34.9669 45.9322 34.9669 72.5608 5.30954 45.9323 5.30949 -45.7661 GPRESSAVG: 3821800 19.9922 34.5436 47.6036 33.5457 72.6292 5.44346 44.7194 3.35581 -45.3317 TIMING: 3821800 CPU: 11496.7, 0.00298612/step Wall: 11496.7, 0.00298612/step, 0.977291 hours remaining, 209.054688 MB of memory in use. ENERGY: 3821800 715.1146 2067.2857 1965.3878 112.4398 -206324.5500 17690.1001 0.0000 0.0000 34465.9859 -149308.2361 301.0000 -183774.2220 -149205.7540 298.8791 29.3510 64.4536 554627.2556 15.5315 15.7632 PRESSURE: 3822000 -81.8488 -310.558 -9.46737 -310.559 -79.725 -101.202 -9.4668 -101.202 -126.035 GPRESSURE: 3822000 -47.7746 -275.984 62.1985 -367.51 -8.1781 -125.43 -59.6062 -113.614 -138.041 PRESSAVG: 3822000 25.4537 -21.141 76.8528 -21.141 -18.3664 1.8134 76.8528 1.81347 1.83941 GPRESSAVG: 3822000 25.7018 -20.1196 75.2347 -22.4131 -17.3272 2.44339 77.6779 1.86832 1.01036 TIMING: 3822000 CPU: 11497.3, 0.00302477/step Wall: 11497.3, 0.00302477/step, 0.989773 hours remaining, 209.054688 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: 3822000 739.9810 2005.3208 1949.5338 118.0807 -206103.8563 17473.4950 0.0000 0.0000 34352.0647 -149465.3803 300.0051 -183817.4450 -149363.5880 298.7597 -95.8696 -64.6646 555693.1519 2.9756 3.1283 PRESSURE: 3822200 -227.9 -70.3967 -45.442 -70.3957 -16.3772 -35.267 -45.442 -35.2673 222.113 GPRESSURE: 3822200 -192.986 -28.9175 -116.955 -110.028 25.4833 -22.1761 -14.509 18.1909 243.662 PRESSAVG: 3822200 -3.55212 -23.6162 7.47658 -23.6161 50.7169 -34.337 7.47662 -34.3371 -35.996 GPRESSAVG: 3822200 -3.58485 -25.0268 7.1218 -24.8468 51.4917 -34.9865 5.43359 -33.4144 -36.6303 TIMING: 3822200 CPU: 11497.9, 0.00298281/step Wall: 11497.9, 0.00298281/step, 0.975875 hours remaining, 209.054688 MB of memory in use. ENERGY: 3822200 734.5344 2085.8785 1933.7145 115.7546 -206248.0126 17772.2047 0.0000 0.0000 34206.0346 -149399.8913 298.7298 -183605.9259 -149296.5188 299.0754 -7.3883 25.3867 556492.9950 3.7229 3.7588 PRESSURE: 3822400 -38.2606 -134.372 19.9867 -134.372 -70.0764 30.2132 19.9862 30.2137 -75.6626 GPRESSURE: 3822400 45.4065 -160.397 21.8105 -55.0546 -98.7462 -0.99158 22.6154 76.049 -24.7224 PRESSAVG: 3822400 -5.14893 -25.5332 -43.4194 -25.5331 -13.518 -18.6434 -43.4195 -18.6433 -1.49668 GPRESSAVG: 3822400 -4.74938 -26.8397 -42.7947 -20.6774 -13.8918 -19.8561 -39.84 -18.1885 -1.31703 TIMING: 3822400 CPU: 11498.5, 0.00299643/step Wall: 11498.5, 0.00299643/step, 0.980165 hours remaining, 209.054688 MB of memory in use. ENERGY: 3822400 753.8778 2052.6037 1974.5575 120.6290 -206605.3429 17860.8119 0.0000 0.0000 34364.9635 -149477.8996 300.1178 -183842.8630 -149379.0322 298.8378 -61.3332 -26.0207 556817.8402 -6.7212 -6.6527 PRESSURE: 3822600 -56.283 22.6088 -145.953 22.6086 28.986 50.3339 -145.953 50.3327 2.14379 GPRESSURE: 3822600 -63.7436 47.6444 -95.8862 -47.19 96.3691 36.736 -116.701 -29.0511 39.6279 PRESSAVG: 3822600 -8.83085 11.8419 -45.0359 11.8419 -6.26361 -14.561 -45.0359 -14.5611 24.2659 GPRESSAVG: 3822600 -9.35365 13.2606 -44.0449 10.22 -6.07753 -12.6221 -45.9983 -15.3294 24.8105 TIMING: 3822600 CPU: 11499.1, 0.00298471/step Wall: 11499.1, 0.00298471/step, 0.976164 hours remaining, 209.054688 MB of memory in use. ENERGY: 3822600 745.4017 2026.3492 1947.4322 110.9123 -206245.7100 17644.1257 0.0000 0.0000 34147.9671 -149623.5218 298.2227 -183771.4890 -149527.4524 298.7930 -8.3844 24.0845 555384.6744 3.0571 3.1264 PRESSURE: 3822800 -6.50178 -33.1162 -174.59 -33.1176 -24.2706 13.8582 -174.588 13.8583 118.547 GPRESSURE: 3822800 -24.9755 19.7877 -227.424 -102.367 74.6248 33.1942 -184.482 7.90565 139.445 PRESSAVG: 3822800 -64.8437 -5.32561 -44.9428 -5.32557 105.202 1.99158 -44.9429 1.99161 21.105 GPRESSAVG: 3822800 -65.0123 -4.80391 -45.3521 -5.68489 106.029 0.394783 -45.5857 2.08104 21.1274 TIMING: 3822800 CPU: 11499.7, 0.00297616/step Wall: 11499.7, 0.00297616/step, 0.973203 hours remaining, 209.199219 MB of memory in use. ENERGY: 3822800 760.4875 2012.6799 1953.5112 108.8793 -206289.3156 17830.4183 0.0000 0.0000 34040.1642 -149583.1751 297.2812 -183623.3394 -149484.1832 297.9593 29.2583 63.0314 556178.2793 20.4877 20.7146 PRESSURE: 3823000 104.925 -60.2631 -190.575 -60.2609 -42.4785 85.6777 -190.575 85.6792 106.728 GPRESSURE: 3823000 150.191 -32.2657 -255.083 -43.0398 9.52306 -20.5004 -222.555 134.456 120.947 PRESSAVG: 3823000 -12.5132 24.7541 -57.8692 24.7541 77.8778 75.4188 -57.8692 75.4187 -99.8944 GPRESSAVG: 3823000 -11.894 24.9242 -57.0309 25.4 77.2809 75.8722 -57.3723 76.2866 -99.9686 TIMING: 3823000 CPU: 11500.3, 0.00301699/step Wall: 11500.3, 0.00301699/step, 0.986389 hours remaining, 209.199219 MB of memory in use. ENERGY: 3823000 748.5471 1989.7415 1944.4839 106.7359 -206425.0632 17767.8654 0.0000 0.0000 34341.4962 -149526.1932 299.9128 -183867.6894 -149424.0973 297.8607 56.3915 93.5539 555313.2191 -11.5099 -11.5272 PRESSURE: 3823200 -28.1126 172.667 1.25241 172.666 -256.087 -199.832 1.25296 -199.831 -37.0039 GPRESSURE: 3823200 5.66688 227.685 29.3814 100.912 -262.044 -163.416 -43.5007 -167.532 21.9084 PRESSAVG: 3823200 -33.9116 9.62848 -15.8274 9.62849 -0.150375 39.837 -15.8274 39.837 49.8599 GPRESSAVG: 3823200 -34.7226 7.65473 -17.583 9.74188 -1.61965 39.7785 -16.4396 37.2876 51.9075 TIMING: 3823200 CPU: 11500.9, 0.00296704/step Wall: 11500.9, 0.00296704/step, 0.969892 hours remaining, 209.199219 MB of memory in use. ENERGY: 3823200 763.0672 2054.9635 1947.0419 122.1055 -206463.0888 17811.0240 0.0000 0.0000 34089.5110 -149675.3758 297.7122 -183764.8868 -149581.2541 298.4707 -107.0679 -78.1563 556857.2479 5.2660 5.1884 PRESSURE: 3823400 -90.0106 -8.37471 -29.5759 -8.37377 143.25 39.7319 -29.5754 39.7326 116.463 GPRESSURE: 3823400 -73.7244 -3.54674 -9.16987 -56.691 236.922 7.53833 -84.8579 72.6267 102.619 PRESSAVG: 3823400 28.8481 6.10515 -70.2136 6.10509 30.442 11.0806 -70.2136 11.0805 -41.7032 GPRESSAVG: 3823400 29.7595 10.0282 -70.8677 3.35186 32.3819 11.5449 -69.0378 11.6927 -44.2017 TIMING: 3823400 CPU: 11501.5, 0.00296562/step Wall: 11501.5, 0.00296562/step, 0.969263 hours remaining, 209.199219 MB of memory in use. ENERGY: 3823400 721.4089 2042.7792 1930.4402 108.3023 -206506.4407 17840.2255 0.0000 0.0000 34180.2064 -149683.0782 298.5042 -183863.2846 -149589.8963 298.0756 56.5677 88.6056 554794.4845 5.8623 5.9799 PRESSURE: 3823600 -168.945 184.617 -129.945 184.618 -373.79 -39.3534 -129.946 -39.3529 -249.508 GPRESSURE: 3823600 -143.027 234.066 -173.563 79.6847 -347.29 -76.8797 -55.9604 36.6321 -200.156 PRESSAVG: 3823600 30.8205 -23.2096 -31.1895 -23.2095 6.7189 29.5363 -31.1894 29.5361 -28.5916 GPRESSAVG: 3823600 29.4015 -25.0891 -30.5483 -20.8526 7.88635 28.881 -31.2849 31.1949 -28.0291 TIMING: 3823600 CPU: 11502.1, 0.00297904/step Wall: 11502.1, 0.00297904/step, 0.973483 hours remaining, 209.199219 MB of memory in use. ENERGY: 3823600 764.6002 2028.1762 1954.4449 112.6452 -206357.4226 17448.6573 0.0000 0.0000 34315.7382 -149733.1606 299.6879 -184048.8988 -149641.1008 297.5699 -264.0811 -230.1576 556822.5082 2.9826 3.0863 PRESSURE: 3823800 -265.088 -80.3768 80.4833 -80.3767 -48.0055 -28.9637 80.4811 -28.9642 -0.880957 GPRESSURE: 3823800 -238.212 -100.693 88.7733 -50.698 -30.6865 -13.6525 90.7023 -98.6026 49.4447 PRESSAVG: 3823800 -67.3641 -12.3028 35.2783 -12.3027 0.593391 -42.0527 35.2782 -42.0527 5.71973 GPRESSAVG: 3823800 -66.4252 -12.3795 34.6311 -14.0119 -0.473275 -42.3705 34.5324 -42.7908 5.6494 TIMING: 3823800 CPU: 11502.7, 0.00301058/step Wall: 11502.7, 0.00301058/step, 0.983624 hours remaining, 209.199219 MB of memory in use. ENERGY: 3823800 735.8109 1996.9702 1959.1975 109.5844 -206545.3294 17749.9279 0.0000 0.0000 34048.8070 -149945.0315 297.3567 -183993.8385 -149848.2823 297.6461 -104.6580 -73.1512 556099.4224 -20.3503 -20.4164 PRESSURE: 3824000 -60.2519 -0.440655 -93.4963 -0.440315 -18.4932 203.679 -93.4967 203.679 -37.5306 GPRESSURE: 3824000 -45.9686 65.5192 -91.9277 42.749 24.4001 190.136 -120.276 255.606 7.74333 PRESSAVG: 3824000 -46.7389 13.3564 -0.661982 13.3565 17.7431 5.37688 -0.661931 5.37679 44.1839 GPRESSAVG: 3824000 -46.4577 13.0847 -1.59619 15.1572 17.7693 5.06974 -0.316325 6.51684 43.5363 TIMING: 3824000 CPU: 11503.3, 0.00299049/step Wall: 11503.3, 0.00299049/step, 0.976893 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: 3824000 704.4453 2092.4439 1963.9042 114.2149 -206615.1805 17775.8976 0.0000 0.0000 34016.5718 -149947.7028 297.0752 -183964.2746 -149855.8987 297.5436 -38.7586 -4.6084 556529.3441 5.0627 4.9493 PRESSURE: 3824200 -43.1574 49.481 30.6567 49.4798 45.7832 22.9782 30.658 22.9796 -20.8923 GPRESSURE: 3824200 -36.8231 41.2629 -29.4182 31.2774 86.202 -147.094 31.2449 65.5757 41.3012 PRESSAVG: 3824200 -40.9849 8.99209 35.5141 8.99208 14.5036 -32.9727 35.5142 -32.9728 49.3723 GPRESSAVG: 3824200 -40.5827 7.86726 36.5809 7.34747 14.0767 -32.3654 33.4009 -34.3147 49.8386 TIMING: 3824200 CPU: 11503.9, 0.00295382/step Wall: 11503.9, 0.00295382/step, 0.964751 hours remaining, 209.199219 MB of memory in use. ENERGY: 3824200 714.9795 2030.9856 1954.5642 121.9738 -206439.9867 17733.7929 0.0000 0.0000 33958.8792 -149924.8115 296.5713 -183883.6907 -149826.6903 296.8771 -6.0888 30.2267 555958.9349 7.6304 7.7776 LDB: ============= START OF LOAD BALANCING ============== 11507.4 LDB: ============== END OF LOAD BALANCING =============== 11507.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11507.4 LDB: ============= START OF LOAD BALANCING ============== 11507.7 LDB: Largest compute 4802 load 0.028128 is 23.8% of average load 0.118268 LDB: Average compute 0.001724 is 1.5% of average load 0.118268 LDB: TIME 11507.7 LOAD: AVG 0.118268 MAX 0.208525 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.055 MB LDB: TIME 11507.7 LOAD: AVG 0.118268 MAX 0.208525 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.086 MB LDB: TIME 11507.7 LOAD: AVG 0.118268 MAX 0.208525 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.086 MB LDB: ============== END OF LOAD BALANCING =============== 11507.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11507.7 PRESSURE: 3824400 -234.139 62.215 -122.83 62.2152 -203.033 -158.037 -122.831 -158.038 -11.2605 GPRESSURE: 3824400 -211.092 14.2418 -58.4329 95.6133 -184.994 -159.35 -178.515 -112.219 39.2519 PRESSAVG: 3824400 -55.1096 17.5196 34.3504 17.5196 8.14483 -15.5336 34.3503 -15.5335 55.1505 GPRESSAVG: 3824400 -56.413 19.923 32.7034 16.255 8.74781 -16.2394 37.0848 -13.9419 55.9143 TIMING: 3824400 CPU: 11504.5, 0.00301915/step Wall: 11504.5, 0.00301915/step, 0.985921 hours remaining, 208.960938 MB of memory in use. ENERGY: 3824400 753.8162 2056.5363 1931.7855 109.0974 -206445.3533 17805.2274 0.0000 0.0000 34024.5503 -149764.3402 297.1449 -183788.8905 -149672.3271 297.0086 -149.4776 -118.9448 557483.8042 2.7286 2.7497 PRESSURE: 3824600 214.824 -74.7279 -12.5147 -74.7291 141.616 -36.3063 -12.5137 -36.3052 133.837 GPRESSURE: 3824600 252.272 -42.6035 -68.8768 -76.6113 152.537 -63.2893 36.0209 -32.0721 173.103 PRESSAVG: 3824600 -5.18241 -24.5254 16.397 -24.5254 -20.6471 16.7479 16.397 16.7479 34.3618 GPRESSAVG: 3824600 -4.46859 -25.0718 17.6977 -21.1484 -21.0504 16.0104 15.2254 16.3928 33.6597 TIMING: 3824600 CPU: 11505.1, 0.00295271/step Wall: 11505.1, 0.00295271/step, 0.964061 hours remaining, 209.164062 MB of memory in use. ENERGY: 3824600 739.4739 2044.8964 1933.2627 102.1449 -206588.1015 18116.4848 0.0000 0.0000 34054.7420 -149597.0969 297.4085 -183651.8389 -149495.5604 297.5306 163.4260 192.6373 556607.2625 2.8441 2.7136 PRESSURE: 3824800 -101.787 11.6727 19.2677 11.6741 -32.6514 30.4595 19.2668 30.4595 -162.046 GPRESSURE: 3824800 -72.1482 -7.1566 7.85736 66.0453 -37.3142 15.3322 52.0361 -24.5637 -92.1788 PRESSAVG: 3824800 -26.8539 20.9621 3.76871 20.9622 21.4026 8.35591 3.76884 8.35586 19.2523 GPRESSAVG: 3824800 -26.5757 21.0753 3.79703 19.0411 21.7932 10.1375 2.31383 6.9992 19.0891 TIMING: 3824800 CPU: 11505.7, 0.00298089/step Wall: 11505.7, 0.00298089/step, 0.973095 hours remaining, 209.164062 MB of memory in use. ENERGY: 3824800 745.1190 2072.4124 1923.2755 103.1859 -206174.9331 17855.4093 0.0000 0.0000 34017.7351 -149457.7960 297.0853 -183475.5310 -149362.5384 297.6538 -98.8282 -67.2138 558910.5797 4.6003 4.7688 PRESSURE: 3825000 -32.2936 -61.4776 60.3113 -61.478 -37.4778 78.2317 60.3114 78.2321 27.7056 GPRESSURE: 3825000 -3.96326 -17.1241 49.3041 -115.974 7.58846 115.747 -32.897 67.6145 54.4814 PRESSAVG: 3825000 -52.6322 -10.0144 -21.9821 -10.0145 16.8784 20.1692 -21.9822 20.1692 6.89247 GPRESSAVG: 3825000 -52.1534 -10.8067 -21.0195 -7.58303 16.6472 20.0005 -21.9039 20.5465 7.09636 TIMING: 3825000 CPU: 11506.3, 0.00294822/step Wall: 11506.3, 0.00294822/step, 0.962267 hours remaining, 209.164062 MB of memory in use. ENERGY: 3825000 715.3322 2044.5562 1925.1109 106.7834 -206358.2877 17796.5976 0.0000 0.0000 34207.5170 -149562.3905 298.7428 -183769.9075 -149463.9444 298.2513 -14.0219 19.3689 556716.6870 -9.6204 -9.4699 PRESSURE: 3825200 8.07946 -23.7464 153.221 -23.7457 98.0835 -51.369 153.222 -51.3696 61.4535 GPRESSURE: 3825200 92.1292 -50.1881 197.727 -20.1297 117.801 -88.2344 114.434 -67.7457 60.0691 PRESSAVG: 3825200 -6.9735 -35.5863 -14.5611 -35.5863 7.94393 -0.412456 -14.5611 -0.41255 38.6672 GPRESSAVG: 3825200 -6.99099 -36.5874 -15.4582 -37.8482 7.49425 -0.457206 -13.0049 0.360605 39.2371 TIMING: 3825200 CPU: 11506.9, 0.00296604/step Wall: 11506.9, 0.00296604/step, 0.967918 hours remaining, 209.164062 MB of memory in use. ENERGY: 3825200 740.6151 2017.2236 1930.4651 106.6188 -206769.2868 18012.6225 0.0000 0.0000 34457.0754 -149504.6663 300.9222 -183961.7417 -149412.8485 298.6369 55.8721 89.9996 556033.0311 13.2125 13.2468 PRESSURE: 3825400 220.199 -19.243 54.3892 -19.2437 -8.71536 -71.6723 54.3895 -71.6731 7.79078 GPRESSURE: 3825400 200.992 2.59963 122.021 -8.09614 30.2749 -97.3817 51.9798 -44.9843 86.5532 PRESSAVG: 3825400 23.1421 -12.2755 38.2842 -12.2755 -33.3266 15.8977 38.2842 15.8977 11.8834 GPRESSAVG: 3825400 22.9742 -9.57352 38.791 -12.2309 -32.9176 14.331 38.0658 15.7964 11.3148 TIMING: 3825400 CPU: 11507.5, 0.00297398/step Wall: 11507.5, 0.00297398/step, 0.970343 hours remaining, 209.164062 MB of memory in use. ENERGY: 3825400 742.1978 2040.3811 1945.2676 113.6000 -206598.3410 17836.1314 0.0000 0.0000 34410.7948 -149509.9682 300.5180 -183920.7630 -149416.0797 298.7138 73.0913 105.9400 555905.5613 0.5663 0.4572 PRESSURE: 3825600 13.3004 50.3132 -20.8051 50.3135 116.336 20.5454 -20.805 20.5451 101.866 GPRESSURE: 3825600 18.8511 -56.3762 29.0063 189.683 130.165 13.058 28.5011 -32.2289 175.93 PRESSAVG: 3825600 66.9255 -7.49379 32.5842 -7.49375 14.3623 8.26017 32.5841 8.26015 -90.2279 GPRESSAVG: 3825600 66.8586 -9.81051 33.8556 -4.86321 13.5471 8.91456 32.2029 5.67908 -89.8379 TIMING: 3825600 CPU: 11508, 0.00297717/step Wall: 11508, 0.00297717/step, 0.97122 hours remaining, 209.164062 MB of memory in use. ENERGY: 3825600 747.1224 2033.4610 1940.3114 105.5784 -206337.1656 17942.8382 0.0000 0.0000 34243.6850 -149324.1693 299.0586 -183567.8543 -149225.6750 298.9551 77.1675 108.3152 556680.7492 -2.9800 -3.1440 PRESSURE: 3825800 -61.5903 -10.6745 67.9591 -10.6746 2.22196 -143.485 67.9585 -143.484 -139.461 GPRESSURE: 3825800 -76.8145 -17.7778 35.7017 23.9179 76.9001 -155.168 104.656 -85.8272 -93.3788 PRESSAVG: 3825800 15.6253 -25.3407 -8.65022 -25.3407 -24.7651 -38.5413 -8.65028 -38.5412 21.5679 GPRESSAVG: 3825800 16.2786 -23.7094 -10.4504 -28.1112 -24.5454 -39.3536 -8.25185 -34.2763 21.1133 TIMING: 3825800 CPU: 11508.6, 0.00296836/step Wall: 11508.6, 0.00296836/step, 0.96818 hours remaining, 209.164062 MB of memory in use. ENERGY: 3825800 772.4699 2045.2367 1931.9670 103.4530 -205947.5706 17529.7678 0.0000 0.0000 34092.3106 -149472.3656 297.7366 -183564.6762 -149377.0417 298.6035 -66.2763 -31.0977 555646.4769 4.1427 4.2822 PRESSURE: 3826000 -369.468 29.0538 49.0793 29.0526 -114.132 -88.5511 49.0797 -88.5506 -311.745 GPRESSURE: 3826000 -294.719 58.9631 19.6428 34.2762 -121.652 -127.713 47.5317 -25.8056 -271.742 PRESSAVG: 3826000 67.2299 -60.2839 -5.14873 -60.2839 -3.56776 15.5343 -5.14874 15.5343 -103.849 GPRESSAVG: 3826000 66.8655 -60.5452 -5.03886 -59.4122 -2.88995 16.2659 -6.2649 13.8708 -104.404 TIMING: 3826000 CPU: 11509.2, 0.00298009/step Wall: 11509.2, 0.00298009/step, 0.97184 hours remaining, 209.164062 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: 3826000 770.0704 2085.6106 1925.7427 113.3265 -206125.6015 17459.9774 0.0000 0.0000 34300.2312 -149470.6428 299.5524 -183770.8740 -149371.8350 298.7196 -265.1149 -229.3709 557989.3207 -13.3956 -13.4761 PRESSURE: 3826200 -264.46 124.312 -16.8885 124.312 -27.6231 51.2384 -16.888 51.2372 249.12 GPRESSURE: 3826200 -151.817 189.052 -65.0958 82.1455 -47.7644 71.3011 -87.3763 115.107 278.656 PRESSAVG: 3826200 -53.4621 -69.238 25.8057 -69.238 51.4672 18.3539 25.8058 18.354 -12.61 GPRESSAVG: 3826200 -52.7034 -68.7207 26.395 -68.9942 50.4591 17.8829 27.3366 18.4643 -11.9216 TIMING: 3826200 CPU: 11509.8, 0.00297554/step Wall: 11509.8, 0.00297554/step, 0.97019 hours remaining, 209.164062 MB of memory in use. ENERGY: 3826200 727.8433 2059.4225 1945.7139 108.1892 -206743.4521 18007.2966 0.0000 0.0000 34371.3495 -149523.6371 300.1735 -183894.9866 -149426.3821 298.0903 -14.3212 26.3581 557750.1796 -4.8683 -4.7220 PRESSURE: 3826400 73.0044 -15.2256 104.22 -15.2251 103.154 94.0624 104.221 94.0634 38.0628 GPRESSURE: 3826400 127.981 -55.0874 178.971 -20.4247 156.922 56.0885 73.1051 120.525 24.4562 PRESSAVG: 3826400 30.8492 78.8739 16.5767 78.8739 58.6904 -6.31034 16.5766 -6.3103 -52.3047 GPRESSAVG: 3826400 31.5235 78.0892 17.5691 78.5922 58.1989 -6.09556 16.0966 -6.26976 -52.656 TIMING: 3826400 CPU: 11510.4, 0.00299018/step Wall: 11510.4, 0.00299018/step, 0.974798 hours remaining, 209.164062 MB of memory in use. ENERGY: 3826400 795.2022 1990.6207 1959.9519 116.2643 -206630.3748 18032.6440 0.0000 0.0000 34222.3529 -149513.3389 298.8723 -183735.6918 -149421.4168 298.7864 71.4070 103.1200 555732.7533 12.4116 12.3555 PRESSURE: 3826600 53.5795 18.0477 -55.3735 18.0465 -235.088 -21.8997 -55.3731 -21.8992 40.4212 GPRESSURE: 3826600 57.6184 -8.89972 -10.7516 4.56359 -159.075 37.9129 -139.703 30.0568 59.9424 PRESSAVG: 3826600 -0.987587 -6.89987 -14.2974 -6.89996 -18.2634 0.617497 -14.2975 0.617497 13.3761 GPRESSAVG: 3826600 -2.14311 -5.38866 -14.7707 -7.70806 -16.779 0.873196 -14.2488 -0.65532 13.1018 TIMING: 3826600 CPU: 11511, 0.00298314/step Wall: 11511, 0.00298314/step, 0.972339 hours remaining, 209.164062 MB of memory in use. ENERGY: 3826600 746.3446 2053.6031 1949.2490 99.7844 -206192.5705 17700.6333 0.0000 0.0000 34244.6962 -149398.2599 299.0674 -183642.9561 -149298.0959 298.4029 -47.0289 -13.8381 557396.6536 -1.9583 -1.9401 PRESSURE: 3826800 -38.758 44.8153 -34.0807 44.8154 119.034 204.529 -34.0818 204.529 64.524 GPRESSURE: 3826800 -43.4336 93.1519 -13.4485 -52.5311 170.697 278.918 -56.8852 107.456 118.29 PRESSAVG: 3826800 8.24789 54.6293 -2.22189 54.6291 4.81044 -11.4096 -2.22181 -11.4095 20.5817 GPRESSAVG: 3826800 8.34472 53.3395 -1.302 56.743 4.36748 -10.5445 -1.93007 -11.7595 21.0861 TIMING: 3826800 CPU: 11511.6, 0.00297918/step Wall: 11511.6, 0.00297918/step, 0.970881 hours remaining, 209.164062 MB of memory in use. ENERGY: 3826800 735.4444 2024.6744 1975.1684 114.1276 -206313.2110 17854.4394 0.0000 0.0000 34276.8581 -149332.4988 299.3483 -183609.3569 -149238.1031 299.1493 48.2666 81.8513 556767.8892 11.2133 11.2661 PRESSURE: 3827000 -57.5309 119.989 -153.81 119.99 -299.817 193.084 -153.811 193.085 -286.547 GPRESSURE: 3827000 -45.2064 128.53 -214.13 171.187 -241.358 162.306 -134.966 238.586 -249.77 PRESSAVG: 3827000 32.191 20.8202 -10.5577 20.8202 -42.3899 -0.0515959 -10.5577 -0.0517287 51.0768 GPRESSAVG: 3827000 31.6383 20.0626 -10.0225 18.484 -41.8871 -0.597145 -10.0466 2.33024 51.4025 TIMING: 3827000 CPU: 11512.2, 0.00300835/step Wall: 11512.2, 0.00300835/step, 0.980221 hours remaining, 209.164062 MB of memory in use. ENERGY: 3827000 707.6798 2028.7531 1959.5704 117.9014 -206398.1242 17573.7319 0.0000 0.0000 34454.1938 -149556.2937 300.8970 -184010.4875 -149467.3480 299.6235 -214.6318 -178.7780 558995.6954 13.6259 13.7179 PRESSURE: 3827200 63.093 -119.011 -20.3062 -119.012 64.7411 -87.5308 -20.3054 -87.5297 38.913 GPRESSURE: 3827200 64.2732 -91.8885 -20.2813 -118.315 86.5776 -87.6101 14.1756 -132.754 114.696 PRESSAVG: 3827200 32.3759 -3.90507 -9.28663 -3.905 -35.1938 33.3248 -9.28668 33.3248 -8.23394 GPRESSAVG: 3827200 33.9074 -3.81254 -9.76663 -3.79695 -35.7146 32.6799 -9.57891 33.5672 -8.53099 TIMING: 3827200 CPU: 11512.8, 0.00297064/step Wall: 11512.8, 0.00297064/step, 0.967768 hours remaining, 209.164062 MB of memory in use. ENERGY: 3827200 754.6067 2079.3937 1959.4166 108.6234 -206264.7756 18042.8727 0.0000 0.0000 34056.5919 -149263.2706 297.4247 -183319.8625 -149171.0510 298.4309 55.5823 88.5154 557561.2933 -3.6840 -3.4461 PRESSURE: 3827400 -26.9019 4.14803 -56.5594 4.14627 54.6328 12.8743 -56.5589 12.8753 -142.813 GPRESSURE: 3827400 13.6613 -57.2862 -39.7536 83.934 126.606 24.6968 -136.219 2.26947 -146.3 PRESSAVG: 3827400 36.0297 -3.96602 -1.74116 -3.96603 0.362619 -43.6806 -1.74113 -43.6806 26.6248 GPRESSAVG: 3827400 35.6718 -2.2169 -0.436362 -3.8336 0.18345 -44.4514 -2.15906 -44.6181 27.6597 TIMING: 3827400 CPU: 11513.4, 0.00299058/step Wall: 11513.4, 0.00299058/step, 0.9741 hours remaining, 209.164062 MB of memory in use. ENERGY: 3827400 748.8770 2059.0594 1933.6406 125.5739 -206311.6587 17801.0756 0.0000 0.0000 34247.7540 -149395.6781 299.0942 -183643.4321 -149302.7111 299.2136 -38.3607 -2.0107 557008.5202 21.0057 21.1717 PRESSURE: 3827600 17.7813 109.241 139.274 109.241 -26.7482 16.8026 139.272 16.8025 -24.5978 GPRESSURE: 3827600 0.972463 96.3762 166.265 81.548 63.5528 30.4835 167.762 28.454 2.51883 PRESSAVG: 3827600 -1.57581 -37.9903 1.6058 -37.9902 -56.1229 -3.75934 1.60592 -3.75931 91.0873 GPRESSAVG: 3827600 -1.24836 -40.033 1.04687 -36.9478 -56.6438 -4.06841 -0.433237 -1.89748 91.4162 TIMING: 3827600 CPU: 11514, 0.00298734/step Wall: 11514, 0.00298734/step, 0.972877 hours remaining, 209.164062 MB of memory in use. ENERGY: 3827600 742.8929 2083.3156 1953.6058 123.5059 -206267.4527 17734.5495 0.0000 0.0000 34201.8324 -149427.7507 298.6931 -183629.5831 -149332.4538 299.2748 -11.1883 22.3480 556893.2756 11.1295 11.1747 PRESSURE: 3827800 -49.5282 -17.4404 -87.3392 -17.4404 -163.282 33.1047 -87.3388 33.1044 -324.931 GPRESSURE: 3827800 -51.7984 -51.0545 -160.677 -4.0037 -158.654 10.638 -53.3758 16.1371 -238.149 PRESSAVG: 3827800 -23.5733 0.108153 15.9923 0.108132 5.39456 -3.27336 15.9922 -3.27341 53.1473 GPRESSAVG: 3827800 -23.9237 1.31225 16.2158 -0.119501 6.92212 -1.72114 15.9743 -5.32426 52.1856 TIMING: 3827800 CPU: 11514.6, 0.00301902/step Wall: 11514.6, 0.00301902/step, 0.983027 hours remaining, 209.164062 MB of memory in use. ENERGY: 3827800 747.7132 2099.7401 1946.5092 119.5022 -206257.8829 17648.5930 0.0000 0.0000 34283.5546 -149412.2706 299.4068 -183695.8251 -149313.6460 299.1508 -179.2470 -149.5338 558109.0422 11.6562 11.7280 PRESSURE: 3828000 -166.427 100.519 66.1695 100.52 138.817 -64.5741 66.17 -64.5726 -99.4914 GPRESSURE: 3828000 -71.154 104.225 88.8302 112.037 46.1909 -25.775 15.6514 26.141 0.616952 PRESSAVG: 3828000 -39.1234 34.4165 48.6776 34.4166 45.3216 9.66746 48.6776 9.66742 18.8548 GPRESSAVG: 3828000 -39.4603 34.1264 47.6788 34.0741 43.8635 10.0302 51.6386 10.2777 20.4164 TIMING: 3828000 CPU: 11515.2, 0.00301409/step Wall: 11515.2, 0.00301409/step, 0.981255 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: 3828000 719.4583 2062.3522 1991.2459 120.3895 -206207.6858 17761.8129 0.0000 0.0000 34124.9441 -149427.4828 298.0216 -183552.4270 -149330.9298 298.6871 -42.3668 -8.1154 557348.4352 8.3510 8.2732 PRESSURE: 3828200 -39.8619 129.899 74.5125 129.9 84.8257 -53.3558 74.5128 -53.3545 -276.307 GPRESSURE: 3828200 -46.1648 160.839 38.1069 58.85 149.098 -4.06492 106.846 -72.9426 -235.86 PRESSAVG: 3828200 -44.7832 4.37082 17.3562 4.37087 57.2798 -33.1863 17.3564 -33.1862 -1.5122 GPRESSAVG: 3828200 -44.1205 2.64077 15.5714 4.19238 57.026 -35.4849 16.8584 -33.803 -1.94954 TIMING: 3828200 CPU: 11515.8, 0.00301188/step Wall: 11515.8, 0.00301188/step, 0.980367 hours remaining, 209.234375 MB of memory in use. ENERGY: 3828200 706.2636 2103.8742 1940.1341 111.0180 -206269.1241 17601.7503 0.0000 0.0000 34215.1637 -149590.9203 298.8095 -183806.0840 -149495.0306 298.5883 -77.1143 -44.3087 557198.7250 3.6615 3.6520 LDB: ============= START OF LOAD BALANCING ============== 11519.3 LDB: ============== END OF LOAD BALANCING =============== 11519.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11519.3 LDB: ============= START OF LOAD BALANCING ============== 11519.7 LDB: Largest compute 4802 load 0.029029 is 24.6% of average load 0.118236 LDB: Average compute 0.001717 is 1.5% of average load 0.118236 LDB: TIME 11519.7 LOAD: AVG 0.118236 MAX 0.214119 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.711 MB LDB: TIME 11519.7 LOAD: AVG 0.118236 MAX 0.214119 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.715 MB LDB: TIME 11519.7 LOAD: AVG 0.118236 MAX 0.214119 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.715 MB LDB: ============== END OF LOAD BALANCING =============== 11519.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11519.7 PRESSURE: 3828400 -74.2734 56.2537 19.6501 56.2542 -0.381477 -93.6685 19.6495 -93.6688 213.381 GPRESSURE: 3828400 -70.4175 49.3361 -31.4648 100.853 37.8247 -33.9934 61.4679 -109.317 266.086 PRESSAVG: 3828400 -76.2317 3.67153 36.8319 3.6715 57.5411 -6.60644 36.8319 -6.60643 13.9535 GPRESSAVG: 3828400 -76.4866 5.12755 37.9074 3.6108 58.5696 -6.40031 35.487 -9.16428 12.9768 TIMING: 3828400 CPU: 11516.4, 0.00311964/step Wall: 11516.4, 0.00311964/step, 1.01527 hours remaining, 210.050781 MB of memory in use. ENERGY: 3828400 737.6903 2054.8725 1973.0811 114.9196 -206402.1805 17952.3573 0.0000 0.0000 34028.9665 -149540.2932 297.1834 -183569.2597 -149450.9850 298.1552 46.2421 77.8310 557762.4753 -1.5790 -1.6467 PRESSURE: 3828600 -155.108 -10.9138 -138.232 -10.9133 -229.52 -86.8486 -138.232 -86.8485 -296.207 GPRESSURE: 3828600 -168.841 -55.8185 -159.519 62.6025 -203.372 -133.581 -129.733 -146.204 -215.432 PRESSAVG: 3828600 -13.0494 23.6433 2.33709 23.6433 -5.94933 7.523 2.33717 7.52304 51.8109 GPRESSAVG: 3828600 -13.5359 22.9986 2.82552 24.1589 -5.69957 8.11796 3.41623 9.83234 52.4054 TIMING: 3828600 CPU: 11517.1, 0.00305715/step Wall: 11517.1, 0.00305715/step, 0.994763 hours remaining, 210.285156 MB of memory in use. ENERGY: 3828600 724.5927 2098.9015 1913.6895 102.4779 -205899.1051 17447.7764 0.0000 0.0000 34053.3078 -149558.3592 297.3960 -183611.6670 -149452.6226 298.8477 -226.9451 -195.8815 559079.9834 10.9374 11.0566 PRESSURE: 3828800 -97.4847 -43.0792 128.784 -43.0789 -71.8084 -71.7668 128.782 -71.7671 44.0333 GPRESSURE: 3828800 -41.9137 -28.1627 108.778 -98.8821 -12.4626 -90.9669 204.476 -77.1334 21.9677 PRESSAVG: 3828800 20.6994 -48.403 37.5934 -48.403 21.023 7.40016 37.5933 7.40008 -48.3313 GPRESSAVG: 3828800 21.0429 -48.5304 37.6866 -48.2396 20.3749 6.4823 36.5619 8.00742 -48.3369 TIMING: 3828800 CPU: 11517.7, 0.00302452/step Wall: 11517.7, 0.00302452/step, 0.983976 hours remaining, 210.285156 MB of memory in use. ENERGY: 3828800 740.1478 2119.6111 1920.2242 112.7610 -206279.5623 17738.2023 0.0000 0.0000 34178.4380 -149470.1779 298.4888 -183648.6159 -149372.5561 298.5357 -41.7533 -10.8029 558112.8228 -2.2030 -2.3064 PRESSURE: 3829000 -145.348 -123.789 145.575 -123.787 -224.635 -191.975 145.574 -191.975 -9.38345 GPRESSURE: 3829000 -124.938 -126.435 175.53 -154.067 -196.462 -215.192 -19.4515 -93.1619 38.6661 PRESSAVG: 3829000 30.2802 17.8225 86.0782 17.8225 -21.3355 -21.8588 86.0782 -21.8588 47.561 GPRESSAVG: 3829000 30.6588 18.9818 84.3258 16.924 -22.0707 -20.9444 87.3379 -22.9573 47.5499 TIMING: 3829000 CPU: 11518.3, 0.00297997/step Wall: 11518.3, 0.00297997/step, 0.969318 hours remaining, 210.285156 MB of memory in use. ENERGY: 3829000 795.3969 2012.9751 1942.6680 109.4086 -205857.0457 17643.4945 0.0000 0.0000 34114.3579 -149238.7447 297.9292 -183353.1026 -149143.4162 298.8428 -126.4555 -94.2449 556480.4562 18.8352 18.7127 PRESSURE: 3829200 105 -67.9596 -35.4917 -67.9604 0.480046 -24.8012 -35.4934 -24.802 -51.6117 GPRESSURE: 3829200 151.081 -59.409 -42.126 -51.5192 16.1217 -19.475 -59.0118 -11.6557 -14.2371 PRESSAVG: 3829200 -37.3124 -19.6493 100.029 -19.6493 -43.7495 8.35114 100.029 8.351 57.1107 GPRESSAVG: 3829200 -38.126 -19.9207 99.6286 -19.2306 -44.0127 9.60192 100.45 8.78876 57.6166 TIMING: 3829200 CPU: 11518.9, 0.00301238/step Wall: 11518.9, 0.00301238/step, 0.979693 hours remaining, 210.285156 MB of memory in use. ENERGY: 3829200 664.3245 2057.8459 1952.2567 110.5504 -206246.3604 17853.2485 0.0000 0.0000 34319.0705 -149289.0639 299.7170 -183608.1343 -149197.7460 299.0111 17.9562 50.9886 556807.9143 -7.9837 -8.1740 PRESSURE: 3829400 -392.334 89.8276 -30.5852 89.8279 11.5284 -31.6488 -30.586 -31.6463 70.5808 GPRESSURE: 3829400 -376.062 11.6404 15.5582 44.5955 66.6276 21.9412 -24.1888 -9.27588 101.945 PRESSAVG: 3829400 11.2444 46.2252 -1.34512 46.2253 -25.6804 9.61291 -1.34514 9.61301 59.7948 GPRESSAVG: 3829400 11.147 46.2519 1.13945 45.1629 -24.4552 9.31575 -2.07451 9.5959 58.8757 TIMING: 3829400 CPU: 11519.5, 0.00303033/step Wall: 11519.5, 0.00303033/step, 0.985362 hours remaining, 210.285156 MB of memory in use. ENERGY: 3829400 705.4263 2103.2326 1949.9927 109.1188 -206086.1812 17661.0928 0.0000 0.0000 34299.9930 -149257.3249 299.5504 -183557.3179 -149166.4138 298.8851 -103.4082 -69.1632 558286.4148 15.1196 15.1891 PRESSURE: 3829600 17.5211 -194.758 -8.96425 -194.759 175.266 -108.787 -8.96261 -108.786 -53.7407 GPRESSURE: 3829600 78.6408 -181.982 -51.6199 -223.356 156.261 -37.6076 91.6607 -170.435 -4.78289 PRESSAVG: 3829600 20.3985 0.965064 81.7375 0.965047 36.9473 -34.5048 81.7376 -34.5047 -13.3074 GPRESSAVG: 3829600 20.8423 1.89533 81.7697 1.98891 35.0595 -35.1506 81.0128 -36.2844 -11.3628 TIMING: 3829600 CPU: 11520.1, 0.00300277/step Wall: 11520.1, 0.00300277/step, 0.976235 hours remaining, 210.285156 MB of memory in use. ENERGY: 3829600 685.5013 2047.7638 1941.8273 108.9094 -206351.5063 17995.4283 0.0000 0.0000 34136.2561 -149435.8200 298.1204 -183572.0761 -149336.3652 299.3207 46.3489 76.7062 559051.7152 14.6795 14.8463 PRESSURE: 3829800 -10.0592 -43.9228 -146.776 -43.9226 153.891 16.9204 -146.778 16.9211 52.3123 GPRESSURE: 3829800 -36.6372 -68.1775 -130.187 8.65581 221.857 -11.6761 -154.405 42.3302 97.1586 PRESSAVG: 3829800 31.6658 28.427 -48.1117 28.427 73.3711 7.33674 -48.1118 7.3367 -51.7553 GPRESSAVG: 3829800 30.8004 28.1593 -49.2176 30.0962 74.4114 6.58511 -48.6183 9.53481 -52.3894 TIMING: 3829800 CPU: 11520.7, 0.00297382/step Wall: 11520.7, 0.00297382/step, 0.966656 hours remaining, 210.285156 MB of memory in use. ENERGY: 3829800 751.1063 2044.3015 1921.0407 100.3622 -206443.0821 17957.6140 0.0000 0.0000 34357.3195 -149311.3379 300.0510 -183668.6574 -149219.9898 299.0215 65.3814 94.1262 557634.2000 17.7605 17.6075 PRESSURE: 3830000 -281.333 -11.1697 6.80268 -11.1696 60.5857 24.6988 6.80352 24.6968 -60.9769 GPRESSURE: 3830000 -232.929 76.7382 -33.9826 -21.2735 45.9328 32.6224 32.5895 61.0124 -4.87322 PRESSAVG: 3830000 -52.6846 20.2093 1.76024 20.2094 32.8987 92.5311 1.76016 92.5311 7.4818 GPRESSAVG: 3830000 -52.1857 19.475 2.69763 20.1261 32.6986 92.6085 2.17956 91.9733 6.87324 TIMING: 3830000 CPU: 11521.3, 0.00295514/step Wall: 11521.3, 0.00295514/step, 0.960421 hours remaining, 210.285156 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: 3830000 756.5736 2062.4580 1939.9864 112.7346 -206047.3900 17786.3964 0.0000 0.0000 34010.3514 -149378.8896 297.0209 -183389.2410 -149273.2879 298.5402 -93.9080 -63.9565 559343.6260 -4.1014 -4.2046 PRESSURE: 3830200 -177.903 74.8835 -131.72 74.8823 3.7308 70.7529 -131.721 70.7526 -21.0829 GPRESSURE: 3830200 -138.62 29.7256 -22.472 -12.0755 -0.29736 56.7553 -153.884 149.54 24.7889 PRESSAVG: 3830200 6.61616 10.0197 58.3553 10.0196 1.56113 9.7208 58.3553 9.72088 -6.9168 GPRESSAVG: 3830200 7.1394 9.72167 59.1371 9.06071 0.186076 10.6218 56.2746 11.5426 -5.88559 TIMING: 3830200 CPU: 11521.8, 0.00297259/step Wall: 11521.8, 0.00297259/step, 0.965925 hours remaining, 210.285156 MB of memory in use. ENERGY: 3830200 767.0979 2088.0271 1945.8611 131.1415 -206538.4119 17817.2745 0.0000 0.0000 34337.7280 -149451.2818 299.8799 -183789.0098 -149361.8712 298.8918 -65.0851 -38.0429 556520.9062 0.4202 0.4800 PRESSURE: 3830400 -63.7623 64.5003 134.548 64.4999 -62.5512 28.1951 134.548 28.1935 10.7474 GPRESSURE: 3830400 -70.6288 11.3306 138.805 126.676 11.7846 -19.5901 141.412 19.4367 46.4875 PRESSAVG: 3830400 56.21 15.1827 21.0253 15.1826 -39.4013 -5.3601 21.0254 -5.36023 -32.8627 GPRESSAVG: 3830400 56.1389 18.7956 20.2684 12.7521 -37.9139 -6.31418 21.356 -7.16991 -34.7782 TIMING: 3830400 CPU: 11522.4, 0.00300198/step Wall: 11522.4, 0.00300198/step, 0.975309 hours remaining, 210.285156 MB of memory in use. ENERGY: 3830400 760.0516 1999.1497 1936.4757 124.5832 -206120.7013 17780.2821 0.0000 0.0000 34235.1205 -149285.0387 298.9838 -183520.1591 -149195.2133 299.4920 -38.5220 -4.1189 556623.8953 -5.3513 -5.5177 PRESSURE: 3830600 177.662 116.655 -88.4909 116.654 -34.3994 -127.275 -88.4914 -127.274 -105.36 GPRESSURE: 3830600 232.733 94.7352 -19.9091 127.994 -63.28 -120.893 -42.3602 -79.8321 -25.6211 PRESSAVG: 3830600 -29.2114 -3.21316 21.755 -3.21308 7.24582 57.541 21.7549 57.541 15.6352 GPRESSAVG: 3830600 -29.385 -5.98383 20.298 -0.100289 7.60281 59.8273 22.9711 56.6424 15.2971 TIMING: 3830600 CPU: 11523.1, 0.00302229/step Wall: 11523.1, 0.00302229/step, 0.98174 hours remaining, 210.285156 MB of memory in use. ENERGY: 3830600 717.2320 2070.2629 1942.8002 120.1210 -206082.2098 17788.4018 0.0000 0.0000 34270.9183 -149172.4735 299.2965 -183443.3918 -149076.3743 299.6139 12.6345 47.9439 556943.7173 -2.1101 -2.1617 PRESSURE: 3830800 -95.2122 -12.5436 83.7462 -12.5421 -307.102 186.492 83.7474 186.494 -25.6515 GPRESSURE: 3830800 -31.2905 -44.6593 31.0308 36.5924 -288.538 197.087 128.132 171.862 -6.05035 PRESSAVG: 3830800 -30.0274 -1.08041 -25.5349 -1.08054 24.8303 80.5242 -25.5349 80.5243 38.3299 GPRESSAVG: 3830800 -30.8302 0.0778764 -23.6165 -0.910711 23.8173 79.8926 -25.5194 82.1616 40.0258 TIMING: 3830800 CPU: 11523.7, 0.00301473/step Wall: 11523.7, 0.00301473/step, 0.979117 hours remaining, 210.285156 MB of memory in use. ENERGY: 3830800 738.3827 2083.0659 1987.2384 109.2531 -206083.5828 17631.4371 0.0000 0.0000 34319.6864 -149214.5192 299.7224 -183534.2056 -149116.0645 299.8681 -142.6553 -108.6262 557509.4637 11.0443 11.0043 PRESSURE: 3831000 37.941 -138.157 112.306 -138.157 205 6.61099 112.306 6.60999 58.0262 GPRESSURE: 3831000 88.7037 -110.818 56.4178 -164.978 232.727 65.8521 179.311 -98.6121 79.2102 PRESSAVG: 3831000 -6.40945 -2.29385 41.958 -2.29381 21.0264 45.9371 41.958 45.9371 11.7656 GPRESSAVG: 3831000 -6.69818 -0.613515 41.405 -4.13521 21.9942 45.7307 40.4998 44.2672 10.1741 TIMING: 3831000 CPU: 11524.3, 0.00301274/step Wall: 11524.3, 0.00301274/step, 0.978302 hours remaining, 210.285156 MB of memory in use. ENERGY: 3831000 738.8892 2076.0900 1947.2629 121.5844 -206330.5194 17944.4623 0.0000 0.0000 34351.1975 -149151.0331 299.9976 -183502.2305 -149054.8482 299.7273 100.3223 133.5470 557889.3723 8.7942 8.4900 PRESSURE: 3831200 96.2955 -25.646 123.615 -25.6455 106.581 -9.32323 123.614 -9.32269 18.7352 GPRESSURE: 3831200 181.149 -36.7667 66.3265 -21.096 94.774 28.3131 148.256 -52.564 39.7274 PRESSAVG: 3831200 35.9974 -63.5445 3.16835 -63.5444 11.2068 -8.93352 3.16842 -8.93347 -41.5314 GPRESSAVG: 3831200 35.8342 -66.6328 3.4128 -62.8812 10.8101 -9.84504 5.03109 -8.54851 -41.0233 TIMING: 3831200 CPU: 11524.9, 0.0029988/step Wall: 11524.9, 0.0029988/step, 0.973611 hours remaining, 210.285156 MB of memory in use. ENERGY: 3831200 773.6930 2107.4676 1920.6285 114.6492 -206246.9090 17898.6279 0.0000 0.0000 34330.5674 -149101.2754 299.8174 -183431.8428 -149011.8605 299.5228 73.8706 105.2168 556848.4743 1.8909 1.8737 PRESSURE: 3831400 -169.973 -6.30184 -24.5776 -6.30323 -249.424 -72.815 -24.5768 -72.8164 -308.721 GPRESSURE: 3831400 -130.638 -33.6219 -24.049 7.1843 -201.451 23.3298 -53.6491 -99.3906 -302.476 PRESSAVG: 3831400 -4.74673 37.2284 35.4289 37.2285 -58.0045 -41.4588 35.429 -41.4588 18.8631 GPRESSAVG: 3831400 -3.10791 39.447 36.0155 35.255 -58.6268 -39.8712 33.5455 -41.4867 17.6022 TIMING: 3831400 CPU: 11525.5, 0.00299327/step Wall: 11525.5, 0.00299327/step, 0.97165 hours remaining, 210.335938 MB of memory in use. ENERGY: 3831400 756.0421 2100.5292 1941.9106 105.3830 -205828.3015 17503.0921 0.0000 0.0000 34356.5488 -149064.7958 300.0443 -183421.3446 -148977.4842 299.7029 -242.7062 -211.5219 558228.4471 -14.6293 -14.7108 PRESSURE: 3831600 -99.9206 47.7163 -0.298937 47.7159 -190.358 -100.908 -0.298778 -100.906 -213.623 GPRESSURE: 3831600 -136.86 86.7195 21.7191 -5.6622 -134.31 -104.711 -1.30361 -3.06327 -152.655 PRESSAVG: 3831600 7.75638 -0.58356 -43.5619 -0.583542 -21.0848 -20.5633 -43.5619 -20.5633 0.0824068 GPRESSAVG: 3831600 5.75643 -1.86114 -41.3625 3.10552 -19.6703 -21.5828 -45.2639 -18.1861 1.13742 TIMING: 3831600 CPU: 11526.1, 0.00299176/step Wall: 11526.1, 0.00299176/step, 0.970993 hours remaining, 210.335938 MB of memory in use. ENERGY: 3831600 748.7573 2079.6855 1973.3850 107.7510 -205717.0278 17414.4983 0.0000 0.0000 34411.9220 -148981.0286 300.5279 -183392.9506 -148882.0210 299.3211 -167.9673 -141.2750 558908.7599 -4.4153 -4.2588 PRESSURE: 3831800 88.2159 86.7183 122.957 86.7183 -143.334 46.2733 122.958 46.2736 -184.256 GPRESSURE: 3831800 139.975 85.6853 149.245 22.8708 -104.305 -27.899 61.5599 74.2661 -188.478 PRESSAVG: 3831800 -9.38025 35.1053 -27.8571 35.1054 4.29714 18.5303 -27.8572 18.5303 -59.9478 GPRESSAVG: 3831800 -7.82597 35.1491 -28.8974 33.7119 3.07199 19.1746 -25.6836 17.5247 -60.1835 TIMING: 3831800 CPU: 11526.7, 0.00300482/step Wall: 11526.7, 0.00300482/step, 0.975063 hours remaining, 210.335938 MB of memory in use. ENERGY: 3831800 737.5157 2088.3220 1933.0707 106.2609 -205824.2279 17641.0530 0.0000 0.0000 34381.5672 -148936.4383 300.2628 -183318.0055 -148840.9219 299.2621 -79.7912 -50.9360 557501.3567 -21.6770 -21.6458 PRESSURE: 3832000 -96.1237 73.2261 -170.314 73.2252 260.53 -120.884 -170.313 -120.884 -70.2194 GPRESSURE: 3832000 -43.8738 124.22 -182.816 59.0768 281.298 -32.655 -166.863 -116.253 -47.2915 PRESSAVG: 3832000 -56.3399 52.9119 13.3326 52.9119 6.21753 -48.2205 13.3326 -48.2203 -9.21683 GPRESSAVG: 3832000 -57.1998 54.6327 12.428 51.7363 5.89246 -45.7848 13.736 -51.1482 -8.31657 TIMING: 3832000 CPU: 11527.3, 0.00296958/step Wall: 11527.3, 0.00296958/step, 0.963463 hours remaining, 210.335938 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: 3832000 769.6808 2114.3645 1951.4951 111.2811 -206146.5523 17849.7599 0.0000 0.0000 34268.0888 -149081.8820 299.2717 -183349.9708 -148988.9071 299.7499 31.3956 63.3775 558103.1529 -19.7797 -19.8746 PRESSURE: 3832200 -94.6519 32.7721 128.483 32.7723 -123.247 -67.0179 128.485 -67.0165 -130.648 GPRESSURE: 3832200 -15.1251 34.9469 116.27 21.9268 -137.958 -11.7092 53.1678 -101.504 -101.751 PRESSAVG: 3832200 -3.43542 46.2236 -51.5573 46.2236 58.0555 2.06253 -51.5573 2.06258 -34.866 GPRESSAVG: 3832200 -3.17655 43.7657 -52.3991 47.535 58.0297 0.333227 -50.7352 3.27649 -35.0045 TIMING: 3832200 CPU: 11527.8, 0.00295891/step Wall: 11527.8, 0.00295891/step, 0.959836 hours remaining, 210.335938 MB of memory in use. ENERGY: 3832200 749.1597 2116.4251 1955.7171 113.5426 -205822.1592 17634.0913 0.0000 0.0000 34232.5060 -149020.7174 298.9610 -183253.2234 -148927.0933 299.3972 -116.1823 -84.9447 558337.6036 6.5847 6.6162 LDB: ============= START OF LOAD BALANCING ============== 11531.4 LDB: ============== END OF LOAD BALANCING =============== 11531.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11531.4 LDB: ============= START OF LOAD BALANCING ============== 11531.7 LDB: Largest compute 4802 load 0.030414 is 25.7% of average load 0.118302 LDB: Average compute 0.001726 is 1.5% of average load 0.118302 LDB: TIME 11531.7 LOAD: AVG 0.118302 MAX 0.212221 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.223 MB LDB: TIME 11531.7 LOAD: AVG 0.118302 MAX 0.212221 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.352 MB LDB: TIME 11531.7 LOAD: AVG 0.118302 MAX 0.212221 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.352 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11531.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11531.7 PRESSURE: 3832400 255.029 90.1316 84.1108 90.132 119.768 47.3476 84.1104 47.3476 98.6888 GPRESSURE: 3832400 357.52 177.187 55.9248 -50.2051 176.134 -15.4156 -21.4853 44.0856 43.4311 PRESSAVG: 3832400 6.99138 -32.4615 22.5379 -32.4615 -4.29536 2.74233 22.538 2.74226 10.1468 GPRESSAVG: 3832400 7.49922 -31.1504 23.0615 -32.7227 -4.10583 0.895508 19.5814 3.99022 9.13015 TIMING: 3832400 CPU: 11528.5, 0.00306427/step Wall: 11528.5, 0.00306427/step, 0.993845 hours remaining, 210.085938 MB of memory in use. ENERGY: 3832400 710.7055 2040.8508 1934.5592 111.8254 -206369.8229 18102.2402 0.0000 0.0000 34323.3991 -149146.2427 299.7548 -183469.6419 -149053.6845 299.5548 157.8285 192.3620 557525.8348 4.2810 4.1745 PRESSURE: 3832600 -21.2393 0.800455 -59.0592 0.799006 184.361 -60.155 -59.0606 -60.1542 57.0093 GPRESSURE: 3832600 -8.7438 70.9941 -9.65066 -36.6135 247.114 -48.0009 -98.0294 -69.6217 79.8511 PRESSAVG: 3832600 -2.81944 32.8693 -26.2439 32.8694 34.5908 41.1437 -26.2439 41.1438 -58.5963 GPRESSAVG: 3832600 -3.59996 32.6165 -24.885 32.1191 35.4472 41.8673 -25.2152 40.1647 -58.2881 TIMING: 3832600 CPU: 11529, 0.0029701/step Wall: 11529, 0.0029701/step, 0.963137 hours remaining, 210.328125 MB of memory in use. ENERGY: 3832600 751.9787 2069.4145 1914.3102 117.1805 -206077.3326 17905.7528 0.0000 0.0000 34190.3868 -149128.3090 298.5932 -183318.6959 -149024.7553 299.9017 73.3771 106.0736 556439.1012 -8.9417 -8.8136 PRESSURE: 3832800 -66.9216 24.1032 -87.8963 24.1046 -174.679 74.3085 -87.8953 74.3088 115.823 GPRESSURE: 3832800 -5.94416 66.4398 -76.9984 -106.011 -142.207 -4.88183 -138.235 40.2171 120.772 PRESSAVG: 3832800 -13.749 0.0801843 9.68475 0.0801701 -6.19729 -18.4297 9.6847 -18.4298 10.14 GPRESSAVG: 3832800 -12.7 0.137906 7.93423 0.860128 -6.44884 -19.6207 11.8031 -17.4836 9.1518 TIMING: 3832800 CPU: 11529.6, 0.00299495/step Wall: 11529.6, 0.00299495/step, 0.97103 hours remaining, 210.328125 MB of memory in use. ENERGY: 3832800 732.2505 2054.7431 1933.2274 117.2659 -205820.1990 17478.0166 0.0000 0.0000 34532.4533 -148972.2422 301.5805 -183504.6955 -148873.5642 299.8974 -41.9257 -9.1265 557552.9745 -3.2688 -3.3323 PRESSURE: 3833000 -16.6256 -73.3695 10.6875 -73.3696 -117.39 -83.9236 10.6871 -83.9236 -277.151 GPRESSURE: 3833000 -54.5351 5.75994 -13.1866 -183.717 -49.3294 -57.8486 11.4797 -142.303 -218.88 PRESSAVG: 3833000 30.2999 -12.8118 33.059 -12.8117 -53.7267 12.0056 33.0589 12.0056 13.1328 GPRESSAVG: 3833000 30.7067 -11.3599 34.3115 -13.334 -54.8865 14.4402 30.1611 11.5839 14.2516 TIMING: 3833000 CPU: 11530.2, 0.00295768/step Wall: 11530.2, 0.00295768/step, 0.958782 hours remaining, 210.328125 MB of memory in use. ENERGY: 3833000 734.9238 2092.5573 1960.7938 120.5974 -206122.9294 17672.0297 0.0000 0.0000 34386.0573 -149155.9702 300.3020 -183542.0275 -149053.0987 300.8933 -137.0555 -107.5815 557368.2590 -3.4313 -3.3094 PRESSURE: 3833200 -20.6058 -28.7803 -0.576057 -28.7797 5.15879 -272.881 -0.574803 -272.882 -117.043 GPRESSURE: 3833200 4.24469 -18.7993 -2.93643 -17.3522 65.2051 -259.48 6.32093 -307.161 -108.2 PRESSAVG: 3833200 73.3068 -28.2832 1.52602 -28.2832 -34.2361 -71.2236 1.52614 -71.2235 -33.9283 GPRESSAVG: 3833200 72.7164 -30.8511 1.78842 -26.2625 -31.7583 -70.8519 2.82385 -72.3333 -35.3935 TIMING: 3833200 CPU: 11530.8, 0.00297027/step Wall: 11530.8, 0.00297027/step, 0.962699 hours remaining, 210.328125 MB of memory in use. ENERGY: 3833200 737.5529 2074.2247 1909.8421 109.2335 -206364.9857 17789.8149 0.0000 0.0000 34334.1750 -149410.1426 299.8489 -183744.3176 -149307.1669 299.6883 -44.1633 -12.9168 556680.8283 1.7141 1.8549 PRESSURE: 3833400 -231.504 -21.2937 -193.855 -21.2936 36.493 46.2973 -193.854 46.297 -22.1369 GPRESSURE: 3833400 -193.144 -75.9966 -164.633 43.2591 61.5321 1.97165 -294.216 17.8559 11.6177 PRESSAVG: 3833400 -32.0156 -24.4938 -49.7176 -24.4938 77.2005 -9.22319 -49.7175 -9.22319 -30.9797 GPRESSAVG: 3833400 -32.5881 -22.3577 -52.1714 -27.7925 77.2468 -9.86301 -48.9011 -9.12809 -30.9875 TIMING: 3833400 CPU: 11531.4, 0.00295641/step Wall: 11531.4, 0.00295641/step, 0.958041 hours remaining, 210.328125 MB of memory in use. ENERGY: 3833400 729.2621 2016.5269 1944.6156 108.1993 -206400.4898 17769.3808 0.0000 0.0000 34235.4733 -149597.0316 298.9869 -183832.5049 -149488.4929 299.2187 -72.3826 -39.9982 557597.1574 4.7351 4.5571 PRESSURE: 3833600 -174.659 -55.5651 -48.5973 -55.5661 -265.566 153.125 -48.5971 153.125 -130.263 GPRESSURE: 3833600 -143.767 -39.7979 7.72773 -69.4261 -244.471 139.56 -33.216 147.796 -81.5623 PRESSAVG: 3833600 -52.2158 25.1916 -85.7933 25.1917 49.8011 5.94807 -85.7933 5.94805 3.60439 GPRESSAVG: 3833600 -51.7279 24.2301 -85.8335 27.5064 47.6296 6.33472 -86.069 6.54854 4.94643 TIMING: 3833600 CPU: 11532, 0.00297199/step Wall: 11532, 0.00297199/step, 0.962923 hours remaining, 210.328125 MB of memory in use. ENERGY: 3833600 741.4120 2077.5797 1960.5973 111.6594 -206323.4887 17578.1668 0.0000 0.0000 34283.6476 -149570.4260 299.4076 -183854.0736 -149468.1165 299.0476 -190.1627 -156.6001 557952.1990 0.3965 0.2827 PRESSURE: 3833800 -167.693 43.2764 -28.7663 43.2766 2.13989 -179.038 -28.7668 -179.039 111.024 GPRESSURE: 3833800 -137.52 45.9101 -130.882 -67.4816 -5.04496 -156.413 -93.4111 -155.776 173.188 PRESSAVG: 3833800 37.2243 3.49547 -37.5654 3.49545 -47.971 46.1008 -37.5653 46.1007 44.073 GPRESSAVG: 3833800 36.6806 3.69433 -35.1435 3.20118 -46.2973 45.1949 -39.7134 46.6221 42.9274 TIMING: 3833800 CPU: 11532.6, 0.00297725/step Wall: 11532.6, 0.00297725/step, 0.964462 hours remaining, 210.328125 MB of memory in use. ENERGY: 3833800 745.5683 2152.1325 1964.5887 118.9657 -206506.9702 17967.0432 0.0000 0.0000 34109.0161 -149449.6556 297.8825 -183558.6717 -149349.5492 298.2032 -18.1763 10.2076 558370.4885 11.1088 11.1035 PRESSURE: 3834000 -75.4447 -33.7783 36.7716 -33.7782 12.6926 77.6683 36.7717 77.6692 0.858952 GPRESSURE: 3834000 -66.7804 -28.0048 123.902 -80.27 36.6822 100.547 35.5037 61.3859 60.1265 PRESSAVG: 3834000 10.8373 -6.80636 -26.0671 -6.80638 -52.541 -5.08138 -26.0671 -5.08123 27.3677 GPRESSAVG: 3834000 10.649 -7.85986 -26.5732 -6.26751 -53.6425 -6.50291 -24.7226 -3.98962 28.4229 TIMING: 3834000 CPU: 11533.2, 0.00297901/step Wall: 11533.2, 0.00297901/step, 0.964868 hours remaining, 210.328125 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: 3834000 766.6827 2101.3594 1961.1687 111.8646 -206642.9936 18023.4877 0.0000 0.0000 34067.9014 -149610.5291 297.5235 -183678.4305 -149512.3189 298.5594 -20.6311 10.0095 559193.5962 -4.7787 -4.8568 PRESSURE: 3834200 265.416 -90.5035 -95.0006 -90.5032 80.4763 -96.939 -95.0003 -96.9402 140.16 GPRESSURE: 3834200 274.776 -48.2944 -107.703 -118.082 117.68 -104.377 -88.5606 -38.5123 193.201 PRESSAVG: 3834200 2.66385 12.9503 27.6621 12.9502 -0.468702 -15.6679 27.662 -15.6679 -3.06573 GPRESSAVG: 3834200 2.05161 16.2061 25.3324 11.2283 0.732397 -12.0967 29.1735 -16.7121 -3.51923 TIMING: 3834200 CPU: 11533.8, 0.00298811/step Wall: 11533.8, 0.00298811/step, 0.967651 hours remaining, 210.328125 MB of memory in use. ENERGY: 3834200 729.0353 2105.9088 1975.8927 103.9114 -206689.2502 18112.4624 0.0000 0.0000 34016.8326 -149645.2070 297.0775 -183662.0395 -149555.4846 297.7306 162.0174 195.2187 557930.9383 -0.2902 -0.2451 PRESSURE: 3834400 -137.646 120.303 5.6597 120.303 -138.34 -131.463 5.66072 -131.463 -14.4873 GPRESSURE: 3834400 -139.404 142.703 -75.4283 58.545 -24.0112 -112.184 80.6507 -152.655 -24.4536 PRESSAVG: 3834400 25.4251 42.587 5.33364 42.5871 -37.8839 -0.151554 5.33357 -0.151521 4.37332 GPRESSAVG: 3834400 25.0323 41.576 7.55734 44.455 -39.7667 -1.35988 2.62639 -1.02755 6.39277 TIMING: 3834400 CPU: 11534.4, 0.00298288/step Wall: 11534.4, 0.00298288/step, 0.965791 hours remaining, 210.328125 MB of memory in use. ENERGY: 3834400 751.9297 2047.3864 1960.9229 101.4190 -206368.1111 17698.6552 0.0000 0.0000 34109.2696 -149698.5282 297.8847 -183807.7978 -149607.0795 297.7854 -96.8243 -62.6231 556085.1486 -2.6952 -2.7806 PRESSURE: 3834600 28.0359 108.548 -225.073 108.548 28.3868 97.068 -225.074 97.0687 -82.9772 GPRESSURE: 3834600 14.1013 73.0072 -173.846 116.038 64.3033 157.213 -280.737 51.9277 -16.6978 PRESSAVG: 3834600 24.3475 -72.0533 -33.3739 -72.0534 -49.1235 2.32365 -33.374 2.32381 23.7643 GPRESSAVG: 3834600 25.9237 -72.5242 -34.3552 -73.8778 -49.3227 2.64668 -31.2197 1.65939 22.3132 TIMING: 3834600 CPU: 11535, 0.00295801/step Wall: 11535, 0.00295801/step, 0.957575 hours remaining, 210.328125 MB of memory in use. ENERGY: 3834600 726.2676 2083.4602 1966.2640 104.9317 -206475.2986 17930.0080 0.0000 0.0000 34007.8679 -149656.4993 296.9992 -183664.3672 -149564.9979 297.4872 -8.8515 20.5690 556512.6745 -0.3372 -0.3619 PRESSURE: 3834800 -298.658 83.0551 136.833 83.0554 -92.3481 -27.6192 136.833 -27.6199 -29.5048 GPRESSURE: 3834800 -201.097 90.4253 124.003 85.6505 -49.2698 -86.1295 134.563 -13.0311 -69.5867 PRESSAVG: 3834800 -33.8287 2.05138 37.6677 2.05131 -12.2324 33.6842 37.6676 33.6841 26.9137 GPRESSAVG: 3834800 -34.7117 1.03962 39.008 2.4311 -11.5604 32.0013 36.6933 36.2284 26.5405 TIMING: 3834800 CPU: 11535.6, 0.00296577/step Wall: 11535.6, 0.00296577/step, 0.95992 hours remaining, 210.593750 MB of memory in use. ENERGY: 3834800 762.6053 2100.4454 1973.3571 105.5636 -206271.1287 17693.3517 0.0000 0.0000 33951.0819 -149684.7237 296.5032 -183635.8056 -149595.6924 297.4869 -140.1702 -106.6513 557283.7612 -6.3824 -6.5772 PRESSURE: 3835000 -140.477 -120.091 17.4832 -120.091 -109.575 -110.811 17.4837 -110.81 157.43 GPRESSURE: 3835000 -63.3974 -169.267 44.407 -82.1643 -131.362 -116.521 48.9632 -115.252 215.526 PRESSAVG: 3835000 -13.6091 -6.86422 -28.4314 -6.86429 44.2089 32.8798 -28.4314 32.8798 -4.35132 GPRESSAVG: 3835000 -13.5478 -6.62247 -28.3918 -8.76904 43.6512 33.5449 -28.9994 31.0984 -3.95123 TIMING: 3835000 CPU: 11536.2, 0.0029641/step Wall: 11536.2, 0.0029641/step, 0.959216 hours remaining, 210.593750 MB of memory in use. ENERGY: 3835000 735.0112 2062.1052 1981.1748 121.4523 -206398.9296 17789.4103 0.0000 0.0000 33988.3024 -149721.4735 296.8283 -183709.7759 -149630.1611 297.7581 -30.8740 6.9223 557721.8778 8.7495 8.7174 PRESSURE: 3835200 -22.5421 79.6769 252.564 79.6768 -126.627 79.4412 252.565 79.4406 289.936 GPRESSURE: 3835200 52.2221 136.174 222.239 81.8846 -120.424 70.687 283.697 68.5804 325.008 PRESSAVG: 3835200 -51.6008 -19.6283 10.4293 -19.6284 48.343 -17.659 10.4292 -17.6591 70.2551 GPRESSAVG: 3835200 -51.07 -18.4221 10.4188 -17.1955 48.402 -17.4827 10.6834 -17.1327 69.2842 TIMING: 3835200 CPU: 11536.8, 0.00295614/step Wall: 11536.8, 0.00295614/step, 0.956477 hours remaining, 210.593750 MB of memory in use. ENERGY: 3835200 704.3442 2089.7645 1938.2902 106.3777 -206321.1454 17981.0244 0.0000 0.0000 34021.6074 -149479.7370 297.1192 -183501.3444 -149399.1920 297.0660 46.9225 85.6020 557565.7088 22.3325 22.2054 PRESSURE: 3835400 -224.48 93.9518 67.2195 93.952 -112.201 33.9332 67.2195 33.9316 206.307 GPRESSURE: 3835400 -198.618 23.0985 16.3331 152.007 -72.8986 54.3066 33.5819 -7.6777 238.839 PRESSAVG: 3835400 -68.3869 1.01814 -16.8178 1.01828 22.7025 1.72172 -16.8177 1.72164 14.3003 GPRESSAVG: 3835400 -68.8228 -0.352661 -18.5773 0.855406 22.9073 3.58383 -15.9694 0.960393 14.9577 TIMING: 3835400 CPU: 11537.4, 0.00295064/step Wall: 11537.4, 0.00295064/step, 0.95453 hours remaining, 210.593750 MB of memory in use. ENERGY: 3835400 741.8819 2061.5949 1953.4912 120.8139 -206410.0153 17805.4729 0.0000 0.0000 34272.9854 -149453.7751 299.3145 -183726.7605 -149363.5748 298.5093 -43.4581 -10.8924 556847.5170 -10.4614 -10.3193 PRESSURE: 3835600 155.278 155.29 115.027 155.29 -239.257 15.1182 115.028 15.1176 58.2304 GPRESSURE: 3835600 187.229 249.809 177.582 88.9795 -139.435 23.5671 152.623 -82.0808 23.5885 PRESSAVG: 3835600 -40.6939 43.6569 55.5664 43.657 30.4022 -32.5139 55.5665 -32.5139 -25.4628 GPRESSAVG: 3835600 -42.0848 42.8796 57.1928 42.445 30.1991 -33.3142 55.9309 -32.7204 -23.7512 TIMING: 3835600 CPU: 11538, 0.00296082/step Wall: 11538, 0.00296082/step, 0.957659 hours remaining, 210.593750 MB of memory in use. ENERGY: 3835600 715.0470 2069.1388 1972.4187 112.3818 -206433.5902 17841.0308 0.0000 0.0000 34245.1973 -149478.3759 299.0718 -183723.5732 -149379.0884 298.2749 -8.5832 23.7944 556210.5279 -11.9182 -11.8790 PRESSURE: 3835800 -166.136 95.8042 82.4057 95.8037 -230.632 -48.8764 82.4055 -48.8767 -93.5161 GPRESSURE: 3835800 -97.6957 70.0151 65.638 58.1926 -219.227 -134.397 112.009 -9.57991 -62.4153 PRESSAVG: 3835800 -32.7422 -4.31342 16.1378 -4.31342 29.8655 -24.5966 16.1378 -24.5966 14.7298 GPRESSAVG: 3835800 -33.0093 -2.59612 13.3393 -4.04021 29.8005 -25.3102 16.4214 -23.6906 14.5807 TIMING: 3835800 CPU: 11538.6, 0.00297926/step Wall: 11538.6, 0.00297926/step, 0.963459 hours remaining, 210.593750 MB of memory in use. ENERGY: 3835800 775.7916 2092.9220 1934.6656 116.2470 -206443.1841 17805.4145 0.0000 0.0000 34268.9892 -149449.1542 299.2796 -183718.1434 -149351.8915 298.6961 -163.4280 -126.4459 557827.5660 3.9511 3.7906 PRESSURE: 3836000 -179.762 -166.219 -44.6974 -166.219 -118.167 107.88 -44.6982 107.88 -161.406 GPRESSURE: 3836000 -135.299 -130.511 -90.9018 -75.5276 -42.6107 104.944 -33.8396 148.825 -175.124 PRESSAVG: 3836000 48.4155 1.73689 27.5323 1.73697 55.3045 6.39939 27.5322 6.39938 -82.9619 GPRESSAVG: 3836000 50.0644 0.812162 25.8256 2.99145 54.674 6.72857 28.8299 6.98812 -84.191 TIMING: 3836000 CPU: 11539.1, 0.00296088/step Wall: 11539.1, 0.00296088/step, 0.957351 hours remaining, 210.593750 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: 3836000 736.2824 2026.6752 1957.8419 115.0082 -206327.6576 17699.4509 0.0000 0.0000 34173.0866 -149619.3125 298.4421 -183792.3991 -149520.9889 298.2951 -153.1114 -117.6780 557799.3167 6.9194 6.8491 PRESSURE: 3836200 109.768 -34.0635 -89.1066 -34.0651 -188.981 -80.7247 -89.1076 -80.7247 -93.3935 GPRESSURE: 3836200 179.858 -86.44 -69.5944 17.6495 -160.41 26.7868 -106.681 -140.131 -82.6802 PRESSAVG: 3836200 124.189 -28.7218 40.4754 -28.7218 -30.3446 -21.3368 40.4753 -21.3369 -82.4741 GPRESSAVG: 3836200 123.145 -29.2612 41.582 -29.1963 -30.4201 -21.7368 40.0013 -20.3522 -81.2288 TIMING: 3836200 CPU: 11539.7, 0.00298235/step Wall: 11539.7, 0.00298235/step, 0.964126 hours remaining, 210.593750 MB of memory in use. ENERGY: 3836200 754.7365 2047.5084 1951.3595 102.3911 -206554.7943 17982.6337 0.0000 0.0000 34127.2052 -149588.9599 298.0414 -183716.1651 -149489.6800 298.5859 -57.5355 -21.0775 556527.6643 3.7902 3.8320 LDB: ============= START OF LOAD BALANCING ============== 11543.3 LDB: ============== END OF LOAD BALANCING =============== 11543.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11543.3 LDB: ============= START OF LOAD BALANCING ============== 11543.6 LDB: Largest compute 4802 load 0.029424 is 24.9% of average load 0.118199 LDB: Average compute 0.001725 is 1.5% of average load 0.118199 LDB: TIME 11543.6 LOAD: AVG 0.118199 MAX 0.208359 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.824 MB LDB: TIME 11543.6 LOAD: AVG 0.118199 MAX 0.208359 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.828 MB LDB: TIME 11543.6 LOAD: AVG 0.118199 MAX 0.208359 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.828 MB LDB: ============== END OF LOAD BALANCING =============== 11543.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11543.6 PRESSURE: 3836400 33.6335 -197.125 -5.27589 -197.125 142.055 116.445 -5.27598 116.446 -68.4657 GPRESSURE: 3836400 40.8858 -192.402 -65.4473 -207.236 200.939 15.7912 51.3414 143.43 -59.8095 PRESSAVG: 3836400 62.8409 -53.866 -31.2955 -53.8659 -24.3073 23.8517 -31.2954 23.8518 -28.1077 GPRESSAVG: 3836400 62.3535 -52.5419 -29.0371 -55.842 -23.4693 25.2241 -32.7443 23.3685 -28.7251 TIMING: 3836400 CPU: 11540.3, 0.00302748/step Wall: 11540.3, 0.00302748/step, 0.97855 hours remaining, 208.605469 MB of memory in use. ENERGY: 3836400 744.0057 2054.5302 1961.7487 109.8296 -206418.4145 17935.1568 0.0000 0.0000 34275.2476 -149337.8959 299.3343 -183613.1435 -149246.7767 298.8045 35.7408 60.6719 557089.1889 3.4753 3.3863 PRESSURE: 3836600 -65.6541 9.24661 -232.876 9.2468 280.701 213.417 -232.876 213.416 -123.353 GPRESSURE: 3836600 -59.2629 -13.8637 -186.665 -12.3892 311.325 106.131 -134.513 123.608 -65.4332 PRESSAVG: 3836600 41.021 18.0898 -31.5666 18.0897 -42.0194 74.4386 -31.5666 74.4387 8.95385 GPRESSAVG: 3836600 43.363 17.2137 -31.6601 17.9449 -43.3234 73.5368 -32.6217 70.8378 8.017 TIMING: 3836600 CPU: 11540.9, 0.00297345/step Wall: 11540.9, 0.00297345/step, 0.960921 hours remaining, 208.605469 MB of memory in use. ENERGY: 3836600 761.7502 2105.6007 1941.2364 114.2485 -206598.0442 17884.6882 0.0000 0.0000 34301.3626 -149489.1575 299.5623 -183790.5201 -149401.5476 299.1664 30.5648 62.2096 556941.0949 2.6518 2.6856 PRESSURE: 3836800 36.02 -48.7364 88.8496 -48.7358 23.0886 105.512 88.851 105.512 -232.364 GPRESSURE: 3836800 82.6565 -42.7581 100.846 -102.318 51.8219 34.0088 23.0968 118.457 -205.895 PRESSAVG: 3836800 39.8395 -54.518 -17.6795 -54.5179 11.9799 25.173 -17.6795 25.173 -8.83233 GPRESSAVG: 3836800 38.7482 -54.8568 -20.3238 -53.2169 13.6209 25.3094 -16.4221 26.3576 -9.46924 TIMING: 3836800 CPU: 11541.5, 0.00298613/step Wall: 11541.5, 0.00298613/step, 0.964852 hours remaining, 208.605469 MB of memory in use. ENERGY: 3836800 776.9404 2040.6160 1931.1083 110.9498 -206167.8418 17702.0024 0.0000 0.0000 34188.5832 -149417.6418 298.5774 -183606.2249 -149317.1268 298.6218 -57.7520 -23.8054 557091.6213 14.3290 14.3000 PRESSURE: 3837000 122.141 -221.031 -109.953 -221.032 179.436 220.177 -109.951 220.179 9.0233 GPRESSURE: 3837000 134.453 -160.059 -101.774 -189.987 213.145 206.528 -57.9353 251.828 40.1672 PRESSAVG: 3837000 0.637715 -79.1752 -18.2234 -79.1753 23.826 41.1343 -18.2234 41.1343 -67.3043 GPRESSAVG: 3837000 -0.301758 -77.1102 -17.1568 -79.5225 22.2342 40.0964 -18.0219 41.5628 -64.9434 TIMING: 3837000 CPU: 11542.1, 0.00301863/step Wall: 11542.1, 0.00301863/step, 0.975186 hours remaining, 208.605469 MB of memory in use. ENERGY: 3837000 747.7354 2085.8639 1942.7955 106.1792 -206494.8631 17970.7332 0.0000 0.0000 34215.7692 -149425.7867 298.8148 -183641.5559 -149326.8702 298.8248 103.5334 129.2551 556039.8957 -14.2802 -14.3370 PRESSURE: 3837200 64.3518 143.785 -28.3499 143.786 123.456 81.6055 -28.3503 81.6066 22.9375 GPRESSURE: 3837200 127.908 125.003 -66.2184 76.5627 124.803 34.8577 -5.64204 66.7453 52.8834 PRESSAVG: 3837200 -34.4639 -47.718 12.933 -47.718 26.6587 -43.3333 12.9329 -43.3332 13.1412 GPRESSAVG: 3837200 -33.8538 -49.4755 13.4907 -47.4713 26.6671 -42.8296 14.0989 -42.2114 12.765 TIMING: 3837200 CPU: 11542.7, 0.00298203/step Wall: 11542.7, 0.00298203/step, 0.963197 hours remaining, 208.605469 MB of memory in use. ENERGY: 3837200 707.7753 2051.7112 1955.0464 105.7745 -206385.5241 17926.3646 0.0000 0.0000 34383.6116 -149255.2406 300.2806 -183638.8521 -149156.8087 299.0689 70.2483 101.8648 558052.4809 1.7787 1.8594 PRESSURE: 3837400 -112.123 -45.3027 170.143 -45.3022 116.794 -0.338216 170.144 -0.337664 184.14 GPRESSURE: 3837400 -79.7745 -89.837 224.274 -102.251 184.553 -67.7265 174.986 19.9529 191.4 PRESSAVG: 3837400 8.35769 -11.1789 68.4294 -11.179 34.5247 33.7109 68.4293 33.711 47.342 GPRESSAVG: 3837400 8.16792 -10.9968 67.5297 -12.5179 35.0251 34.5313 68.2581 31.5515 47.0094 TIMING: 3837400 CPU: 11543.3, 0.00298607/step Wall: 11543.3, 0.00298607/step, 0.964336 hours remaining, 208.605469 MB of memory in use. ENERGY: 3837400 736.1396 2043.5606 1948.7202 122.8999 -206396.5387 18050.5442 0.0000 0.0000 34271.0668 -149223.6075 299.2978 -183494.6743 -149127.8338 299.9350 62.9369 98.7263 556445.1872 30.0748 30.0675 PRESSURE: 3837600 -363.261 -20.7391 -86.6 -20.7383 -131.119 -62.7539 -86.6001 -62.7539 -252.876 GPRESSURE: 3837600 -288.374 -48.5941 -55.1893 -31.4779 -125.396 -49.0065 -54.6158 -78.487 -220.709 PRESSAVG: 3837600 -15.7457 9.51605 88.2927 9.516 -17.6071 -21.5053 88.2927 -21.5053 75.636 GPRESSAVG: 3837600 -15.2681 8.0243 91.5108 10.9365 -18.9316 -22.3017 85.7518 -21.4962 76.6097 TIMING: 3837600 CPU: 11543.9, 0.00296941/step Wall: 11543.9, 0.00296941/step, 0.95879 hours remaining, 208.605469 MB of memory in use. ENERGY: 3837600 750.7798 2054.8109 1929.5624 107.2692 -205885.7542 17464.5750 0.0000 0.0000 34279.9296 -149298.8274 299.3752 -183578.7570 -149208.8641 298.9489 -249.0852 -211.4934 557291.5362 14.0944 14.1367 PRESSURE: 3837800 -137.345 -52.0377 -164.417 -52.0386 -198.202 -169.927 -164.416 -169.928 -1.16325 GPRESSURE: 3837800 -151.074 -6.40984 -38.3431 -19.4362 -141.609 -173.159 -156.208 -177.167 49.7708 PRESSAVG: 3837800 -9.85286 18.7636 -0.485381 18.7636 4.07701 -9.34684 -0.48539 -9.34686 36.5257 GPRESSAVG: 3837800 -10.2671 20.2746 -1.56996 18.1928 5.34349 -8.44143 -1.78561 -7.20009 34.8998 TIMING: 3837800 CPU: 11544.5, 0.00299323/step Wall: 11544.5, 0.00299323/step, 0.966313 hours remaining, 208.605469 MB of memory in use. ENERGY: 3837800 724.2516 2083.6522 1954.9993 128.0179 -206072.0419 17515.3036 0.0000 0.0000 34357.4968 -149308.3205 300.0526 -183665.8172 -149210.8429 299.3925 -112.2366 -80.9708 556878.5613 10.2500 9.9921 PRESSURE: 3838000 204.352 -1.99706 10.3024 -1.99776 34.7682 14.8156 10.3035 14.8164 66.466 GPRESSURE: 3838000 225.639 55.9535 -92.0205 21.339 92.3369 -17.8422 23.0744 -25.101 87.8845 PRESSAVG: 3838000 -3.25386 0.331071 -4.11941 0.331172 -8.61313 9.15151 -4.11937 9.15164 -9.37888 GPRESSAVG: 3838000 -3.15249 0.974684 -5.11508 0.0277442 -8.85801 8.74288 -4.28199 9.19398 -9.16927 TIMING: 3838000 CPU: 11545.1, 0.00298218/step Wall: 11545.1, 0.00298218/step, 0.962582 hours remaining, 208.605469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3838000 720.8330 2072.0241 1960.6477 115.3393 -206513.7079 18013.6311 0.0000 0.0000 34257.8167 -149373.4160 299.1820 -183631.2326 -149270.0025 299.5906 101.8622 135.2869 558093.1177 -7.0820 -7.0599 PRESSURE: 3838200 -18.7558 -125.885 -8.45706 -125.883 -124.044 106.414 -8.45678 106.412 1.2218 GPRESSURE: 3838200 6.96533 -61.4025 -43.4633 -204.158 -85.1379 -29.0563 37.2212 242.248 34.9375 PRESSAVG: 3838200 34.6448 15.3072 -24.5341 15.3073 -34.1284 13.2619 -24.5341 13.2618 1.09169 GPRESSAVG: 3838200 34.8623 12.5616 -24.4256 17.9462 -34.4158 13.9612 -22.2777 11.6647 1.00471 TIMING: 3838200 CPU: 11545.7, 0.00296655/step Wall: 11545.7, 0.00296655/step, 0.957373 hours remaining, 208.605469 MB of memory in use. ENERGY: 3838200 720.3981 2063.0167 1939.5444 100.2138 -206051.9701 17790.8463 0.0000 0.0000 34153.9268 -149284.0241 298.2747 -183437.9508 -149187.0834 298.6924 -47.1926 -14.4117 557806.8118 0.5360 0.4837 PRESSURE: 3838400 -175.936 -90.6405 149.027 -90.6401 -140.433 -36.7081 149.027 -36.7068 -328.126 GPRESSURE: 3838400 -162.238 -85.3949 82.9803 -76.4692 -113.462 -12.3766 237.158 -111.711 -267.176 PRESSAVG: 3838400 25.826 -17.1966 23.2061 -17.1966 -12.0279 15.7806 23.2061 15.7806 -30.7561 GPRESSAVG: 3838400 24.9793 -16.0264 22.5261 -19.7689 -12.1782 15.0057 24.5018 16.0386 -30.5154 TIMING: 3838400 CPU: 11546.3, 0.00298357/step Wall: 11546.3, 0.00298357/step, 0.962699 hours remaining, 208.605469 MB of memory in use. ENERGY: 3838400 784.0986 2111.1049 1937.3866 97.7499 -205624.4157 17319.7389 0.0000 0.0000 34259.8831 -149114.4537 299.2001 -183374.3368 -149008.9784 299.2930 -214.8313 -180.9585 557588.8318 -5.6527 -5.9048 PRESSURE: 3838600 96.2257 152.254 -42.5596 152.253 -223.741 -52.6693 -42.5597 -52.6708 -205.676 GPRESSURE: 3838600 129.435 104.72 -53.7845 257.93 -239.151 -38.3253 10.3231 -62.467 -138.897 PRESSAVG: 3838600 -13.605 14.2067 -37.586 14.2067 32.003 16.0947 -37.586 16.0948 -17.6327 GPRESSAVG: 3838600 -12.7638 15.4234 -36.2783 15.6623 31.3689 17.2622 -38.9667 16.0789 -18.3075 TIMING: 3838600 CPU: 11546.9, 0.00299814/step Wall: 11546.9, 0.00299814/step, 0.967233 hours remaining, 208.605469 MB of memory in use. ENERGY: 3838600 748.4660 2060.6692 1934.8222 108.1926 -206056.5878 17667.7983 0.0000 0.0000 34427.2174 -149109.4222 300.6615 -183536.6396 -149009.4397 299.9760 -111.0638 -82.8707 557825.1190 0.2551 0.0992 PRESSURE: 3838800 6.97532 114.209 -68.9293 114.21 -124.347 16.3676 -68.9291 16.368 -85.2394 GPRESSURE: 3838800 -9.79318 56.726 -37.7063 127.029 -48.675 -20.4539 -78.3022 129.681 -40.3942 PRESSAVG: 3838800 19.2818 -4.46541 -2.4816 -4.46538 -46.1299 -19.9051 -2.48164 -19.9051 -15.6047 GPRESSAVG: 3838800 19.3498 -4.97244 -2.97579 -5.01571 -46.8313 -21.9665 -3.09054 -18.7227 -14.9381 TIMING: 3838800 CPU: 11547.5, 0.00298809/step Wall: 11547.5, 0.00298809/step, 0.963824 hours remaining, 208.605469 MB of memory in use. ENERGY: 3838800 737.0487 2064.1803 1956.2250 109.3060 -206039.8851 17708.8341 0.0000 0.0000 34317.9504 -149146.3406 299.7072 -183464.2910 -149042.0485 299.3141 -67.5369 -32.9542 556877.0823 -14.1510 -14.1399 PRESSURE: 3839000 -170.167 -36.1885 -109.065 -36.188 -33.1892 -60.7529 -109.064 -60.7539 -10.3901 GPRESSURE: 3839000 -134.669 13.1313 -90.9507 66.8791 -7.81623 -10.8177 -104.293 -139.102 25.8399 PRESSAVG: 3839000 7.95436 78.1828 -3.21526 78.1828 -40.2686 39.2392 -3.21533 39.2392 -28.2242 GPRESSAVG: 3839000 7.9698 77.3392 -2.31866 77.3645 -39.076 42.0341 -3.12783 37.632 -28.9149 TIMING: 3839000 CPU: 11548.1, 0.00299173/step Wall: 11548.1, 0.00299173/step, 0.964834 hours remaining, 208.605469 MB of memory in use. ENERGY: 3839000 671.5366 2105.1469 1945.8550 101.6812 -205646.6896 17521.6061 0.0000 0.0000 34153.8140 -149147.0498 298.2738 -183300.8638 -149057.4171 299.4861 -71.2488 -38.8818 558964.4463 -20.1795 -20.0070 PRESSURE: 3839200 231.149 -25.7193 108.101 -25.7188 114.136 79.3184 108.099 79.3183 49.2501 GPRESSURE: 3839200 287.261 42.2972 48.0318 -74.202 177.385 39.4709 40.9444 93.0848 22.5375 PRESSAVG: 3839200 5.95728 -8.65055 -18.3698 -8.65065 -4.76468 43.9706 -18.3699 43.9705 1.21108 GPRESSAVG: 3839200 5.86409 -7.84279 -19.9633 -9.8033 -3.53464 43.5006 -18.777 45.5911 1.08546 TIMING: 3839200 CPU: 11548.7, 0.0029809/step Wall: 11548.7, 0.0029809/step, 0.961175 hours remaining, 208.605469 MB of memory in use. ENERGY: 3839200 736.8980 2084.8518 1942.3521 118.4202 -206125.6977 18021.5848 0.0000 0.0000 33997.8941 -149223.6966 296.9121 -183221.5907 -149124.9316 299.2944 131.5116 162.3945 557920.0724 0.8012 1.1383 PRESSURE: 3839400 -44.2117 -41.4698 57.8854 -41.471 87.1759 32.2706 57.8856 32.2699 211.387 GPRESSURE: 3839400 -45.037 -88.6887 35.7375 -35.017 124.085 42.655 111.169 -22.1919 269.789 PRESSAVG: 3839400 -37.8646 -18.0961 13.4569 -18.0961 19.5943 1.4772 13.4569 1.47714 23.5944 GPRESSAVG: 3839400 -37.5907 -18.3592 14.159 -17.7258 17.8872 0.762514 12.6991 1.19317 25.0549 TIMING: 3839400 CPU: 11549.3, 0.00298816/step Wall: 11549.3, 0.00298816/step, 0.963349 hours remaining, 208.605469 MB of memory in use. ENERGY: 3839400 750.5114 2098.1948 1914.3890 108.6830 -205875.9161 17792.5871 0.0000 0.0000 34039.1297 -149172.4212 297.2722 -183211.5509 -149075.6022 299.0871 84.7838 116.2791 558349.2980 1.7747 1.7838 PRESSURE: 3839600 7.11023 33.9812 -128.126 33.9803 127.094 51.7068 -128.125 51.7065 132.945 GPRESSURE: 3839600 32.6568 84.4957 -156.636 -14.6506 181.727 89.5211 -91.3517 22.8869 132.974 PRESSAVG: 3839600 46.1339 1.96498 31.7751 1.96503 8.66035 37.4465 31.775 37.4463 -22.6456 GPRESSAVG: 3839600 45.5844 1.14087 30.2708 3.31432 10.3439 36.086 32.2957 37.7875 -24.4173 TIMING: 3839600 CPU: 11549.9, 0.0029804/step Wall: 11549.9, 0.0029804/step, 0.960681 hours remaining, 208.605469 MB of memory in use. ENERGY: 3839600 740.0333 2077.4702 1959.8540 106.2259 -205991.7777 17849.2632 0.0000 0.0000 34254.0348 -149004.8963 299.1490 -183258.9310 -148909.2247 299.8520 89.0495 115.7859 557681.5479 10.7162 10.5037 PRESSURE: 3839800 357.023 16.1064 84.0447 16.105 111.01 34.9841 84.0457 34.9843 -125.018 GPRESSURE: 3839800 394.203 11.8008 43.6456 62.5889 118.414 88.8352 80.6838 45.9084 -68.4238 PRESSAVG: 3839800 -0.0795706 55.7894 4.49692 55.7894 -32.5769 38.7552 4.49703 38.7553 10.103 GPRESSAVG: 3839800 -0.273535 56.4103 5.21753 56.4681 -32.5945 40.3642 4.77944 36.9881 9.98538 TIMING: 3839800 CPU: 11550.5, 0.00297644/step Wall: 11550.5, 0.00297644/step, 0.959239 hours remaining, 208.605469 MB of memory in use. ENERGY: 3839800 713.4412 2118.4477 1966.9392 98.9464 -206478.1691 18023.3881 0.0000 0.0000 34473.3934 -149083.6131 301.0647 -183557.0065 -148981.0300 299.6043 114.3385 148.0645 556111.3497 -7.5178 -7.6276 PRESSURE: 3840000 145.876 36.8712 -30.5438 36.8709 -221.636 27.5959 -30.5442 27.5963 -120.736 GPRESSURE: 3840000 217.381 141.361 41.9288 -16.4976 -234.625 -57.157 23.5805 7.06909 -87.2311 PRESSAVG: 3840000 56.9287 -22.6995 19.9549 -22.6995 -23.863 -1.37541 19.955 -1.37543 -34.5393 GPRESSAVG: 3840000 57.9347 -22.2305 20.7881 -23.0369 -24.6862 -4.49127 19.3416 1.47386 -34.9069 TIMING: 3840000 CPU: 11551.1, 0.00301451/step Wall: 11551.1, 0.00301451/step, 0.971341 hours remaining, 208.605469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3840000 751.7827 2015.3149 1934.7893 114.3663 -205863.3325 17769.5373 0.0000 0.0000 34340.2172 -148937.3249 299.9017 -183277.5421 -148839.4988 300.8893 -65.4988 -34.8251 559674.5227 -0.4912 -0.5528 PRESSURE: 3840200 85.3121 -53.9346 -17.3677 -53.9339 -89.2181 56.2789 -17.3663 56.2791 -35.3332 GPRESSURE: 3840200 87.371 -88.1429 -36.2755 -50.0472 -59.0244 -24.0131 60.8726 72.0472 34.7624 PRESSAVG: 3840200 12.1629 -26.4432 -8.89134 -26.4432 -6.27076 5.07477 -8.89125 5.07471 -21.963 GPRESSAVG: 3840200 12.844 -29.4904 -9.34304 -24.4251 -6.82814 6.39995 -7.96628 5.16467 -21.4403 TIMING: 3840200 CPU: 11551.7, 0.00300352/step Wall: 11551.7, 0.00300352/step, 0.967635 hours remaining, 208.605469 MB of memory in use. ENERGY: 3840200 764.4859 2070.8988 1963.0860 109.8525 -206025.4886 17807.2324 0.0000 0.0000 34429.3263 -148880.6067 300.6799 -183309.9330 -148785.4581 300.0951 -13.0798 21.0363 558698.7098 -5.3570 -5.1415 LDB: ============= START OF LOAD BALANCING ============== 11555.2 LDB: ============== END OF LOAD BALANCING =============== 11555.2 LDB: =============== DONE WITH MIGRATION ================ 11555.2 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 11555.5 LDB: Largest compute 4802 load 0.030793 is 26.0% of average load 0.118304 LDB: Average compute 0.001724 is 1.5% of average load 0.118304 LDB: TIME 11555.5 LOAD: AVG 0.118304 MAX 0.208407 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.941 MB LDB: TIME 11555.5 LOAD: AVG 0.118304 MAX 0.208407 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.184 MB LDB: TIME 11555.5 LOAD: AVG 0.118304 MAX 0.208407 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.184 MB LDB: ============== END OF LOAD BALANCING =============== 11555.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11555.5 PRESSURE: 3840400 -62.9798 11.3747 27.5595 11.3747 65.0195 28.7343 27.5607 28.7335 195.63 GPRESSURE: 3840400 8.2066 57.8171 51.3628 9.91171 74.905 15.2794 50.0378 47.9828 219.922 PRESSAVG: 3840400 46.272 1.34326 -9.7514 1.34324 -13.2394 32.2466 -9.75139 32.2467 -56.569 GPRESSAVG: 3840400 46.2116 5.80513 -8.24686 -3.39092 -12.2308 33.6998 -10.2752 30.1394 -56.7679 TIMING: 3840400 CPU: 11552.3, 0.00302836/step Wall: 11552.3, 0.00302836/step, 0.975469 hours remaining, 208.429688 MB of memory in use. ENERGY: 3840400 776.3545 2088.4054 1962.9841 111.0506 -206071.1351 17900.2223 0.0000 0.0000 34192.3833 -149039.7349 298.6106 -183232.1182 -148951.0469 299.5976 65.8900 101.0113 558604.3423 -7.8455 -7.5957 PRESSURE: 3840600 -105.222 -14.46 -14.0325 -14.46 -194.696 124.586 -14.0328 124.586 232.152 GPRESSURE: 3840600 -92.9533 18.2063 32.3389 -35.0443 -184.096 50.1621 -86.9559 228.381 308.019 PRESSAVG: 3840600 -11.2805 19.2379 43.4916 19.2378 -21.8484 27.2629 43.4916 27.2628 34.2084 GPRESSAVG: 3840600 -11.1255 17.2667 42.3078 20.6597 -21.5505 27.0389 42.7209 28.0889 33.614 TIMING: 3840600 CPU: 11552.9, 0.00295985/step Wall: 11552.9, 0.00295985/step, 0.953237 hours remaining, 208.554688 MB of memory in use. ENERGY: 3840600 780.4870 2117.2811 1931.9190 106.7660 -206500.9597 17985.0967 0.0000 0.0000 34626.3162 -148953.0936 302.4002 -183579.4098 -148855.7504 299.9270 -22.5884 10.3232 556562.6492 0.3598 0.3127 PRESSURE: 3840800 -67.0802 241.532 -24.0686 241.531 -276.401 3.49089 -24.0682 3.49077 -20.5458 GPRESSURE: 3840800 -97.2343 276.831 37.7135 214.772 -225.383 102.939 -107.828 -96.2183 54.7775 PRESSAVG: 3840800 -3.39477 -6.17486 -29.7517 -6.1749 34.8916 -58.3685 -29.7516 -58.3685 12.3107 GPRESSAVG: 3840800 -5.0685 -6.52222 -30.3415 -5.19256 34.8742 -58.8449 -29.1131 -58.261 14.201 TIMING: 3840800 CPU: 11553.5, 0.00298412/step Wall: 11553.5, 0.00298412/step, 0.960886 hours remaining, 208.554688 MB of memory in use. ENERGY: 3840800 796.6696 2097.9630 1965.3955 115.6340 -206031.9727 17674.4669 0.0000 0.0000 34271.5724 -149110.2713 299.3022 -183381.8437 -149010.2018 299.9804 -121.3423 -89.2798 559781.8765 14.6025 14.6689 PRESSURE: 3841000 23.4912 -17.3629 -21.1782 -17.363 -280.566 -18.2384 -21.1787 -18.2382 75.2727 GPRESSURE: 3841000 108.92 -20.3997 -87.0734 -95.2339 -273.015 43.3397 -11.5592 -63.3951 69.9768 PRESSAVG: 3841000 -16.1684 41.1186 33.0954 41.1185 -29.3845 18.002 33.0955 18.0019 40.9632 GPRESSAVG: 3841000 -15.1893 40.9506 31.6845 40.2219 -29.077 19.0824 35.083 16.875 38.5647 TIMING: 3841000 CPU: 11554.1, 0.0029866/step Wall: 11554.1, 0.0029866/step, 0.96152 hours remaining, 208.554688 MB of memory in use. ENERGY: 3841000 793.2551 2115.2723 1956.2420 116.1351 -206171.3222 17705.9056 0.0000 0.0000 34324.2125 -149160.2994 299.7619 -183484.5120 -149064.7514 299.8587 -60.6006 -31.3726 557943.7050 -1.5299 -1.9005 PRESSURE: 3841200 58.7534 42.5133 122.629 42.5131 -188.98 -7.18369 122.629 -7.183 -164.415 GPRESSURE: 3841200 112.308 -13.205 157.741 -2.11791 -171.111 -0.400436 25.6912 -105.968 -127.576 PRESSAVG: 3841200 7.79065 -19.7357 20.9922 -19.7357 -22.5309 -38.6172 20.9923 -38.6172 48 GPRESSAVG: 3841200 6.69303 -18.7121 21.2253 -19.926 -23.6224 -39.0063 20.194 -39.2175 49.7564 TIMING: 3841200 CPU: 11554.7, 0.00301145/step Wall: 11554.7, 0.00301145/step, 0.969353 hours remaining, 208.554688 MB of memory in use. ENERGY: 3841200 786.7105 2094.9856 1958.4844 110.0513 -206248.7100 17809.5296 0.0000 0.0000 34185.5098 -149303.4386 298.5506 -183488.9484 -149198.9595 299.1769 -98.2140 -62.1264 557102.5211 11.0866 10.9424 PRESSURE: 3841400 156.403 37.6182 -62.3063 37.618 49.2722 -10.1573 -62.3052 -10.1574 77.3004 GPRESSURE: 3841400 124.184 -1.1273 -99.0401 74.6832 132.191 -24.1015 46.1255 -52.3438 134.047 PRESSAVG: 3841400 -49.4678 -29.1523 42.4098 -29.1524 8.06244 20.6369 42.4097 20.6369 21.37 GPRESSAVG: 3841400 -50.1383 -29.5193 42.7909 -29.4438 9.12754 19.5069 42.466 22.2164 21.0087 TIMING: 3841400 CPU: 11555.3, 0.00301429/step Wall: 11555.3, 0.00301429/step, 0.970099 hours remaining, 208.554688 MB of memory in use. ENERGY: 3841400 771.8487 2080.5767 1956.4672 113.6742 -206453.6014 17953.3671 0.0000 0.0000 34155.1525 -149422.5150 298.2854 -183577.6675 -149324.4019 298.5511 94.3251 130.1407 557172.1870 -6.6785 -6.6674 PRESSURE: 3841600 47.5328 54.606 -109.249 54.6058 -47.9937 148.338 -109.248 148.339 -7.31807 GPRESSURE: 3841600 36.4988 98.0475 40.8034 49.4424 37.243 136.848 -108.822 148.26 8.00525 PRESSAVG: 3841600 -21.5126 28.786 -20.5519 28.7861 28.511 29.57 -20.5519 29.57 4.40134 GPRESSAVG: 3841600 -20.7826 30.0417 -17.5847 29.1414 27.817 29.3876 -21.6037 30.3828 4.33566 TIMING: 3841600 CPU: 11555.9, 0.00299506/step Wall: 11555.9, 0.00299506/step, 0.963743 hours remaining, 208.554688 MB of memory in use. ENERGY: 3841600 789.1640 2083.8046 1940.3626 108.2422 -206366.9101 17893.0139 0.0000 0.0000 34326.1567 -149226.1661 299.7789 -183552.3228 -149138.9457 299.2565 -2.5930 27.2490 557477.8722 3.7999 3.7900 PRESSURE: 3841800 -1.2944 206.941 106.799 206.94 -154.845 56.8396 106.797 56.8392 200.991 GPRESSURE: 3841800 36.9029 159.112 63.1989 310.246 -133.652 22.7222 54.0371 71.4991 232.317 PRESSAVG: 3841800 54.2531 40.8955 30.8588 40.8955 -20.3862 41.8387 30.8589 41.8387 -23.8229 GPRESSAVG: 3841800 53.8293 40.3406 28.4467 41.6689 -19.494 41.845 29.3757 41.283 -24.2307 TIMING: 3841800 CPU: 11556.5, 0.00299365/step Wall: 11556.5, 0.00299365/step, 0.963123 hours remaining, 208.554688 MB of memory in use. ENERGY: 3841800 758.0463 2125.4747 1929.4683 107.1484 -206655.9119 18007.7480 0.0000 0.0000 34456.9704 -149271.0559 300.9213 -183728.0262 -149166.1429 298.8748 14.9504 45.1892 556014.2947 3.3480 3.3682 PRESSURE: 3842000 -383.446 244.486 85.3784 244.486 -3.87903 -83.4911 85.3783 -83.4913 -85.6294 GPRESSURE: 3842000 -353.067 224.694 91.5285 158.44 27.2628 -139.183 79.98 14.8969 -48.6991 PRESSAVG: 3842000 20.5127 17.0129 43.7899 17.0129 -72.1195 -28.6731 43.79 -28.6729 30.2447 GPRESSAVG: 3842000 20.6379 15.5195 43.8862 16.6414 -72.3134 -28.9409 45.3068 -27.6296 30.9023 TIMING: 3842000 CPU: 11557.1, 0.00298411/step Wall: 11557.1, 0.00298411/step, 0.95989 hours remaining, 208.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3842000 781.6785 2096.5777 1913.7280 100.0703 -206084.1128 17564.5923 0.0000 0.0000 34276.1265 -149351.3396 299.3419 -183627.4661 -149254.8299 299.4316 -157.6514 -124.8343 556946.5325 -7.1207 -6.9244 PRESSURE: 3842200 -51.9344 -12.6887 -97.3894 -12.6892 113.651 -109.977 -97.3885 -109.976 -160.922 GPRESSURE: 3842200 5.35639 -8.63634 -104.046 -62.6313 103.754 -170.502 -120.412 -34.9216 -113.948 PRESSAVG: 3842200 -73.1434 -12.4076 28.9911 -12.4075 44.8477 -37.041 28.9911 -37.041 25.7499 GPRESSAVG: 3842200 -72.8791 -11.6784 27.4955 -12.7744 44.9917 -38.0502 29.6867 -37.6522 25.5236 TIMING: 3842200 CPU: 11557.7, 0.00300061/step Wall: 11557.7, 0.00300061/step, 0.96503 hours remaining, 208.554688 MB of memory in use. ENERGY: 3842200 751.7373 2089.9137 1940.8353 115.0952 -206126.8322 17796.4612 0.0000 0.0000 34198.7776 -149234.0120 298.6664 -183432.7895 -149141.2649 298.5162 -33.0684 -1.6125 557400.3644 -0.8486 -0.7879 PRESSURE: 3842400 -63.5486 58.8586 -171.006 58.8571 -63.602 -122.526 -171.006 -122.525 -21.535 GPRESSURE: 3842400 -99.014 -11.3091 -188.375 105.807 -36.9762 -168.584 -166.836 -76.2107 77.2292 PRESSAVG: 3842400 22.6336 41.1598 31.0169 41.1599 29.9666 -17.7232 31.0168 -17.7233 -37.5496 GPRESSAVG: 3842400 22.3869 42.2886 34.1541 42.612 29.7857 -17.1354 28.0794 -18.9077 -37.1603 TIMING: 3842400 CPU: 11558.3, 0.00296586/step Wall: 11558.3, 0.00296586/step, 0.953687 hours remaining, 208.554688 MB of memory in use. ENERGY: 3842400 755.3933 2065.2955 1921.9506 110.8874 -206055.9032 17623.3501 0.0000 0.0000 34450.5994 -149128.4269 300.8657 -183579.0263 -149032.1142 299.6684 -49.5619 -19.5870 556988.0226 5.0169 5.0041 PRESSURE: 3842600 70.8227 -5.2034 157.032 -5.20494 -52.5083 -174.337 157.032 -174.336 117.64 GPRESSURE: 3842600 90.4993 10.2342 178.144 -87.985 -25.011 -142.785 178.881 -217.929 166.892 PRESSAVG: 3842600 -11.4986 11.9429 21.8666 11.943 45.3991 3.55428 21.8665 3.55439 -33.4493 GPRESSAVG: 3842600 -10.9215 11.6627 18.1327 10.3195 45.9216 4.3909 23.8268 5.10148 -34.3808 TIMING: 3842600 CPU: 11558.9, 0.00300062/step Wall: 11558.9, 0.00300062/step, 0.964701 hours remaining, 208.554688 MB of memory in use. ENERGY: 3842600 723.1779 2044.7429 1950.6739 114.9926 -206108.5855 17784.2288 0.0000 0.0000 34147.5168 -149343.2526 298.2188 -183490.7694 -149246.9365 299.2257 45.3180 77.4603 557781.2473 0.1504 0.2064 PRESSURE: 3842800 133.317 39.4407 39.7688 39.4406 162.188 3.96074 39.7681 3.96186 -217.898 GPRESSURE: 3842800 146.839 -1.79579 36.2776 57.8664 221.714 92.0251 -49.3134 -102.93 -184.027 PRESSAVG: 3842800 -14.9273 38.7346 72.4823 38.7345 64.4908 -31.4514 72.4822 -31.4514 -10.0491 GPRESSAVG: 3842800 -14.3838 38.2629 73.3416 39.3303 64.3166 -29.2933 73.9649 -34.4481 -10.0415 TIMING: 3842800 CPU: 11559.5, 0.00297135/step Wall: 11559.5, 0.00297135/step, 0.955122 hours remaining, 208.554688 MB of memory in use. ENERGY: 3842800 790.7522 2038.1031 1946.5293 112.6436 -206459.5597 17966.0525 0.0000 0.0000 34093.3781 -149512.1009 297.7460 -183605.4790 -149420.3552 298.4956 25.8689 61.5087 556714.5837 13.1715 13.2971 PRESSURE: 3843000 21.0942 29.3187 -164.627 29.3187 -190.934 250.336 -164.627 250.336 -142.437 GPRESSURE: 3843000 11.2486 44.6317 -119.265 4.17011 -121.749 111.736 -232.811 365.404 -115.941 PRESSAVG: 3843000 -55.1196 31.301 -17.6792 31.301 -63.6482 -0.463634 -17.6792 -0.463712 119.135 GPRESSAVG: 3843000 -54.8789 31.2774 -17.3652 32.7014 -64.3093 -3.84859 -19.923 0.882433 119.501 TIMING: 3843000 CPU: 11560.1, 0.00295849/step Wall: 11560.1, 0.00295849/step, 0.950827 hours remaining, 208.554688 MB of memory in use. ENERGY: 3843000 725.8011 2068.2938 1951.3568 111.6492 -206078.2530 17569.8215 0.0000 0.0000 34113.9711 -149537.3595 297.9258 -183651.3306 -149437.5592 298.1742 -104.0921 -75.4805 557553.0655 0.1223 0.1042 PRESSURE: 3843200 -130.063 -69.3856 156.135 -69.3864 24.1379 -190.86 156.134 -190.86 153.098 GPRESSURE: 3843200 -80.5387 -60.0747 139.161 -138.213 18.0826 -218.954 195.8 -207.551 206.625 PRESSAVG: 3843200 -11.3792 10.4212 3.33526 10.4212 -29.1277 -30.2403 3.3354 -30.2403 36.211 GPRESSAVG: 3843200 -13.2937 11.13 4.82344 8.18486 -28.2386 -30.0422 4.74487 -30.2239 37.2893 TIMING: 3843200 CPU: 11560.7, 0.00297146/step Wall: 11560.7, 0.00297146/step, 0.954829 hours remaining, 208.554688 MB of memory in use. ENERGY: 3843200 751.1875 2002.1363 1982.7686 129.4588 -206588.5204 17936.6665 0.0000 0.0000 34144.1408 -149642.1618 298.1893 -183786.3026 -149544.8712 298.5331 15.7244 48.0563 557084.1977 -1.4320 -1.4143 PRESSURE: 3843400 -241.982 132.939 1.53638 132.939 -148.01 -165.992 1.53714 -165.99 -237.03 GPRESSURE: 3843400 -226.468 39.0854 -32.6653 150.801 -68.7951 -87.9191 43.2016 -292.434 -223.719 PRESSAVG: 3843400 -83.9474 -0.62416 16.3724 -0.624205 81.2503 -86.195 16.3725 -86.195 34.9368 GPRESSAVG: 3843400 -82.8323 0.0589661 14.9387 -1.35205 82.0092 -85.1668 16.6624 -87.0857 32.7148 TIMING: 3843400 CPU: 11561.3, 0.00298659/step Wall: 11561.3, 0.00298659/step, 0.959525 hours remaining, 208.554688 MB of memory in use. ENERGY: 3843400 777.2952 2019.4701 1957.3658 128.0031 -206352.3424 17661.2204 0.0000 0.0000 34230.8694 -149578.1183 298.9467 -183808.9877 -149481.2292 298.3508 -209.0072 -172.9940 558193.0722 10.7466 10.6305 PRESSURE: 3843600 -78.4429 -40.0398 132.723 -40.0393 -85.389 195.477 132.723 195.477 -152.727 GPRESSURE: 3843600 -10.5426 -108.52 121.46 -15.6012 -97.814 103.83 192.803 214.137 -117.14 PRESSAVG: 3843600 25.3461 47.4872 -1.18906 47.4872 -25.9797 -16.5737 -1.189 -16.5735 2.04917 GPRESSAVG: 3843600 26.4677 46.4746 -1.07956 48.2953 -27.2564 -18.5036 -2.19122 -15.5306 2.80051 TIMING: 3843600 CPU: 11561.9, 0.00296562/step Wall: 11561.9, 0.00296562/step, 0.952624 hours remaining, 208.554688 MB of memory in use. ENERGY: 3843600 745.0991 2098.1499 1930.4436 109.5220 -206335.6156 17665.1567 0.0000 0.0000 34150.8311 -149636.4131 298.2477 -183787.2442 -149546.2266 298.3908 -105.5195 -75.1655 557692.7564 0.4719 0.6706 PRESSURE: 3843800 9.95026 -57.918 104.57 -57.9182 -151.933 -52.9383 104.569 -52.9378 59.0678 GPRESSURE: 3843800 35.9388 -77.968 -20.3213 -32.5495 -166.153 -98.8035 149.695 -35.0672 143.957 PRESSAVG: 3843800 -35.5253 -66.6713 71.7998 -66.6714 -25.0189 -36.8643 71.7998 -36.8643 13.4801 GPRESSAVG: 3843800 -36.4296 -65.732 72.5689 -67.705 -23.8818 -35.1075 71.194 -34.8321 13.2782 TIMING: 3843800 CPU: 11562.4, 0.00297336/step Wall: 11562.4, 0.00297336/step, 0.954944 hours remaining, 208.554688 MB of memory in use. ENERGY: 3843800 730.6098 2096.2574 1943.8282 114.4364 -206691.0760 18069.2407 0.0000 0.0000 34154.2235 -149582.4801 298.2773 -183736.7035 -149477.6346 298.4032 -27.6383 4.5809 558551.4061 -15.6880 -15.6777 PRESSURE: 3844000 -153.986 270.336 121.959 270.337 -35.5444 4.04052 121.957 4.04004 -38.7876 GPRESSURE: 3844000 -94.6002 268.846 51.3034 214.201 -30.9744 -45.2252 168.554 1.1103 -17.9752 PRESSAVG: 3844000 29.8261 -6.7613 32.3896 -6.76136 31.6002 -18.1428 32.3894 -18.1427 -21.1141 GPRESSAVG: 3844000 28.6312 -6.2272 32.6884 -5.36348 30.965 -18.0316 34.4937 -20.2951 -19.784 TIMING: 3844000 CPU: 11563, 0.00297055/step Wall: 11563, 0.00297055/step, 0.953877 hours remaining, 208.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3844000 748.1280 2071.6095 1977.8391 121.8405 -206414.9406 17662.3985 0.0000 0.0000 34403.1857 -149429.9392 300.4516 -183833.1248 -149332.6085 299.1287 -76.1059 -47.8499 557443.1656 13.4374 13.2707 PRESSURE: 3844200 9.06745 -25.8711 53.76 -25.8709 40.9817 -24.609 53.7598 -24.6105 123.716 GPRESSURE: 3844200 27.8848 -79.9774 68.6915 -62.0572 148.531 56.5455 -54.0641 -72.1263 81.7272 PRESSAVG: 3844200 -51.0275 35.7817 -73.5936 35.7817 33.3141 1.00233 -73.5936 1.00218 1.43625 GPRESSAVG: 3844200 -49.4201 34.3925 -72.9119 35.7316 33.1853 1.71304 -74.95 1.51558 -0.259106 TIMING: 3844200 CPU: 11563.6, 0.00299754/step Wall: 11563.6, 0.00299754/step, 0.962378 hours remaining, 208.554688 MB of memory in use. ENERGY: 3844200 767.4104 2064.5582 1939.9532 104.0007 -206597.0784 17743.5083 0.0000 0.0000 34593.6455 -149384.0020 302.1149 -183977.6475 -149290.1906 298.7288 57.9216 86.0476 555812.2005 -5.4257 -5.4980 LDB: ============= START OF LOAD BALANCING ============== 11567.2 LDB: ============== END OF LOAD BALANCING =============== 11567.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11567.2 LDB: ============= START OF LOAD BALANCING ============== 11567.5 LDB: Largest compute 4802 load 0.029569 is 25.0% of average load 0.118207 LDB: Average compute 0.001724 is 1.5% of average load 0.118207 LDB: TIME 11567.5 LOAD: AVG 0.118207 MAX 0.213165 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.48 MB LDB: TIME 11567.5 LOAD: AVG 0.118207 MAX 0.213165 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.551 MB LDB: TIME 11567.5 LOAD: AVG 0.118207 MAX 0.213165 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.551 MB LDB: ============== END OF LOAD BALANCING =============== 11567.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11567.5 PRESSURE: 3844400 -149.301 -66.0012 -94.9583 -66.0012 -83.4358 -184.447 -94.958 -184.447 3.78835 GPRESSURE: 3844400 -99.6709 -85.9729 -131.884 -116.125 -60.4759 -117.02 -40.3282 -226.701 29.4774 PRESSAVG: 3844400 14.2512 -59.5073 -0.128502 -59.5073 -53.0392 39.9201 -0.128484 39.9202 18.3434 GPRESSAVG: 3844400 14.0314 -58.8886 -1.47889 -60.081 -53.8002 39.8022 -1.38611 39.9394 19.2892 TIMING: 3844400 CPU: 11564.3, 0.00306932/step Wall: 11564.3, 0.00306932/step, 0.985253 hours remaining, 209.199219 MB of memory in use. ENERGY: 3844400 755.9067 2119.1484 1930.1488 98.5693 -205973.8218 17695.6101 0.0000 0.0000 34102.7293 -149271.7093 297.8276 -183374.4386 -149176.1836 298.8875 -76.3160 -43.5565 558726.0362 -6.8149 -6.8265 PRESSURE: 3844600 93.8537 -69.3546 56.3014 -69.3547 -317.408 -49.7554 56.3006 -49.7559 -142.739 GPRESSURE: 3844600 96.7147 -52.2385 122.707 -41.5848 -296.283 -88.3029 38.4533 -38.4444 -78.7999 PRESSAVG: 3844600 33.1459 -36.4535 -10.0285 -36.4536 -37.7527 52.4224 -10.0285 52.4223 3.99205 GPRESSAVG: 3844600 32.2972 -37.2385 -10.6405 -34.049 -36.5614 50.6015 -9.47418 52.2124 3.231 TIMING: 3844600 CPU: 11564.9, 0.00298457/step Wall: 11564.9, 0.00298457/step, 0.95788 hours remaining, 209.199219 MB of memory in use. ENERGY: 3844600 778.1606 2118.6048 1918.5523 120.7880 -205833.2026 17555.1416 0.0000 0.0000 34157.8048 -149184.1504 298.3086 -183341.9552 -149093.9856 298.8304 -122.0978 -92.7895 558833.1915 -0.2049 -0.3444 PRESSURE: 3844800 -134.039 170.49 -84.3574 170.491 101.938 -10.2517 -84.3568 -10.2524 93.1466 GPRESSURE: 3844800 -54.3652 116.473 -27.0437 211.074 161.871 -14.5299 -54.0763 78.6152 46.3922 PRESSAVG: 3844800 5.96044 19.578 25.7207 19.578 -57.8336 11.1088 25.7207 11.1088 21.5847 GPRESSAVG: 3844800 7.74932 20.8472 27.8968 17.5316 -58.3192 12.0254 25.3404 10.77 20.7631 TIMING: 3844800 CPU: 11565.4, 0.00296775/step Wall: 11565.4, 0.00296775/step, 0.952317 hours remaining, 209.199219 MB of memory in use. ENERGY: 3844800 755.1049 2102.1395 1935.8819 128.5178 -206045.0782 17783.3244 0.0000 0.0000 34245.2530 -149094.8568 299.0723 -183340.1098 -149000.2598 300.2452 20.3484 51.2994 556774.6144 -10.0962 -9.9356 PRESSURE: 3845000 -18.1199 -56.0685 -7.21055 -56.0696 -108.567 -160.68 -7.21098 -160.681 -26.1104 GPRESSURE: 3845000 47.1447 -33.7873 17.6391 -79.7399 -44.2414 -68.8465 7.38581 -170.837 -67.9395 PRESSAVG: 3845000 19.5321 47.1509 -11.4266 47.1509 -49.4924 -19.9738 -11.4267 -19.9738 -24.956 GPRESSAVG: 3845000 18.6483 46.8525 -11.5818 47.4883 -50.154 -20.9252 -9.79203 -20.1507 -23.1492 TIMING: 3845000 CPU: 11566, 0.00298634/step Wall: 11566, 0.00298634/step, 0.958118 hours remaining, 209.199219 MB of memory in use. ENERGY: 3845000 742.8868 2096.6905 1966.4198 117.2847 -206380.1204 17873.8719 0.0000 0.0000 34576.9853 -149005.9813 301.9694 -183582.9666 -148916.1391 300.5282 -50.9323 -21.6787 557735.0838 -18.3054 -18.2183 PRESSURE: 3845200 261.153 99.3572 23.6419 99.3576 75.7555 -183.924 23.6424 -183.927 113.249 GPRESSURE: 3845200 281.748 9.31669 31.9492 127.328 95.65 -179.01 77.0304 -125.445 177.47 PRESSAVG: 3845200 54.0439 33.7567 24.8005 33.7567 -32.4171 -38.4871 24.8004 -38.4871 -23.5834 GPRESSAVG: 3845200 54.7919 33.3118 23.4689 36.2016 -31.8645 -38.1224 23.3486 -38.3827 -24.4387 TIMING: 3845200 CPU: 11566.6, 0.00301314/step Wall: 11566.6, 0.00301314/step, 0.966549 hours remaining, 209.199219 MB of memory in use. ENERGY: 3845200 725.1261 2047.7429 1951.4662 115.8121 -206272.3374 17779.4886 0.0000 0.0000 34341.7432 -149310.9583 299.9150 -183652.7015 -149219.2540 299.8237 150.0525 184.9559 556185.5185 -0.6522 -0.5037 PRESSURE: 3845400 -57.4408 194.641 -56.134 194.642 -216.718 -36.6966 -56.1337 -36.6964 -116.39 GPRESSURE: 3845400 -94.6199 50.3419 -80.0019 155.739 -121.613 -23.0327 -40.618 16.4114 -80.8889 PRESSAVG: 3845400 20.4915 26.7129 12.7336 26.7129 -9.14971 -4.68617 12.7336 -4.68618 -24.3632 GPRESSAVG: 3845400 19.4581 28.7488 12.8061 23.9812 -8.26882 -4.41722 12.6456 -4.02176 -23.9934 TIMING: 3845400 CPU: 11567.2, 0.00299186/step Wall: 11567.2, 0.00299186/step, 0.959557 hours remaining, 209.324219 MB of memory in use. ENERGY: 3845400 754.9540 2053.3286 1938.3553 125.1528 -206127.9223 17758.8036 0.0000 0.0000 34089.8862 -149407.4419 297.7155 -183497.3281 -149308.6992 299.2737 -130.1829 -99.0407 556640.2496 -4.3405 -4.2680 PRESSURE: 3845600 -167.5 -91.8248 -29.8237 -91.825 281.56 -52.2667 -29.8242 -52.2669 -61.8029 GPRESSURE: 3845600 -133.1 -65.1974 -34.62 -173.295 302.754 -48.7081 -6.99483 -54.2586 -20.7163 PRESSAVG: 3845600 -43.764 24.2116 52.4271 24.2116 50.7602 -28.2308 52.4271 -28.2308 41.0266 GPRESSAVG: 3845600 -43.8345 23.3167 52.8585 25.3454 50.15 -29.9419 53.2189 -28.4508 42.4859 TIMING: 3845600 CPU: 11567.8, 0.00301594/step Wall: 11567.8, 0.00301594/step, 0.96711 hours remaining, 209.324219 MB of memory in use. ENERGY: 3845600 753.5049 2117.6534 1950.4040 130.6354 -206469.3924 17818.6945 0.0000 0.0000 34333.9217 -149364.5785 299.8467 -183698.5002 -149267.2070 299.4328 17.4190 49.6460 554850.3276 16.0076 16.2671 PRESSURE: 3845800 -249.477 16.0777 -47.9023 16.0769 -168.625 105.059 -47.9025 105.06 -101.116 GPRESSURE: 3845800 -246.139 153.13 -8.04784 -83.3272 -137.085 100.29 -11.9294 50.2802 -41.0611 PRESSAVG: 3845800 -29.321 -60.1873 -2.81647 -60.1873 12.9355 -21.3996 -2.81649 -21.3996 6.40763 GPRESSAVG: 3845800 -29.8137 -59.3876 -1.97065 -62.5382 13.4391 -18.2386 -2.40822 -22.4235 5.89626 TIMING: 3845800 CPU: 11568.4, 0.00300558/step Wall: 11568.4, 0.00300558/step, 0.963624 hours remaining, 209.324219 MB of memory in use. ENERGY: 3845800 767.4742 2130.1531 1921.4658 109.7329 -206029.4604 17559.9885 0.0000 0.0000 34172.0376 -149368.6083 298.4329 -183540.6459 -149279.6025 299.2429 -173.0725 -141.4283 559232.2174 -3.3260 -3.4928 PRESSURE: 3846000 103.43 -60.1455 142.206 -60.1461 -90.8478 61.2044 142.206 61.2052 -79.6506 GPRESSURE: 3846000 170.121 -57.8966 202.38 -40.2961 -68.549 53.6445 119.826 -15.547 -72.8795 PRESSAVG: 3846000 13.069 11.5697 -14.0339 11.5697 -10.8556 -21.57 -14.034 -21.57 37.0903 GPRESSAVG: 3846000 13.8125 11.6424 -14.9591 11.201 -11.3486 -23.81 -13.7298 -21.1277 36.6602 TIMING: 3846000 CPU: 11569, 0.00300394/step Wall: 11569, 0.00300394/step, 0.96293 hours remaining, 209.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3846000 742.0285 2121.2105 1934.5414 110.3083 -206342.5746 17820.3138 0.0000 0.0000 34299.2648 -149314.9075 299.5440 -183614.1723 -149217.9809 298.8977 -22.3560 9.5641 558619.6658 13.1012 13.0414 PRESSURE: 3846200 -31.7391 52.9461 47.6007 52.9462 -150.122 71.0757 47.6015 71.0747 -159.651 GPRESSURE: 3846200 -20.191 65.6422 3.44546 35.6124 -88.7728 83.0979 30.1755 29.011 -145.877 PRESSAVG: 3846200 -1.34332 -21.9533 97.9891 -21.9533 13.3738 -60.9772 97.9891 -60.9772 23.5774 GPRESSAVG: 3846200 -1.83636 -21.9128 97.8917 -20.9626 13.9708 -62.0227 96.9584 -61.7968 23.3691 TIMING: 3846200 CPU: 11569.7, 0.00301827/step Wall: 11569.7, 0.00301827/step, 0.967355 hours remaining, 209.324219 MB of memory in use. ENERGY: 3846200 792.7610 2108.0940 1954.9743 105.1854 -206453.6095 17841.2234 0.0000 0.0000 34449.7675 -149201.6039 300.8584 -183651.3714 -149105.8230 299.4230 -113.8373 -84.9471 558291.0049 11.8693 11.8345 PRESSURE: 3846400 129.174 82.2235 -16.5166 82.2237 245.239 -56.0802 -16.5159 -56.0805 64.6167 GPRESSURE: 3846400 156.075 8.58787 -35.0821 149.282 253.314 -65.5926 9.28946 -62.5234 124.069 PRESSAVG: 3846400 46.4144 -35.5343 54.6172 -35.5344 42.1807 40.017 54.6172 40.0169 -57.3806 GPRESSAVG: 3846400 47.0644 -37.0323 55.0336 -35.8573 41.5811 40.5219 54.9741 41.8084 -57.4437 TIMING: 3846400 CPU: 11570.3, 0.00302317/step Wall: 11570.3, 0.00302317/step, 0.968759 hours remaining, 209.324219 MB of memory in use. ENERGY: 3846400 723.3886 2112.0189 1928.5740 120.4605 -206444.9475 17955.1181 0.0000 0.0000 34291.5376 -149313.8498 299.4765 -183605.3874 -149214.4789 299.8873 146.3433 177.8190 556099.0729 10.4048 10.4006 PRESSURE: 3846600 66.8255 -64.9817 -61.3464 -64.9809 -125.33 -70.173 -61.348 -70.1742 62.5277 GPRESSURE: 3846600 103.311 19.3591 -8.39772 -174.015 -113.341 -54.4081 -109.199 -126.548 110.884 PRESSAVG: 3846600 91.3564 33.4149 30.3611 33.415 -66.7455 -53.6261 30.361 -53.6262 -10.5704 GPRESSAVG: 3846600 91.5298 34.9915 29.5978 34.044 -65.988 -54.5804 29.6669 -53.183 -10.8768 TIMING: 3846600 CPU: 11570.9, 0.00302299/step Wall: 11570.9, 0.00302299/step, 0.968531 hours remaining, 209.324219 MB of memory in use. ENERGY: 3846600 746.6836 2082.2112 1942.7048 106.1109 -206203.2490 17750.1445 0.0000 0.0000 34112.7153 -149462.6787 297.9148 -183575.3939 -149363.0066 298.9632 1.3409 33.6181 555172.7361 4.6801 4.8883 PRESSURE: 3846800 278.964 -49.2653 -14.3073 -49.2661 74.2015 90.2479 -14.3079 90.2472 -74.4757 GPRESSURE: 3846800 283.162 33.3492 -21.6217 -90.0483 105.46 -27.2755 -17.7502 67.8042 -18.2007 PRESSAVG: 3846800 -22.817 -33.149 31.1497 -33.1489 28.0368 -11.9944 31.1497 -11.9943 0.110123 GPRESSAVG: 3846800 -24.1118 -34.0506 30.377 -31.7708 28.969 -9.78225 31.855 -12.8161 -0.766096 TIMING: 3846800 CPU: 11571.5, 0.00298457/step Wall: 11571.5, 0.00298457/step, 0.956057 hours remaining, 209.324219 MB of memory in use. ENERGY: 3846800 741.9835 2092.1910 1941.9929 112.0370 -206454.1332 17841.9329 0.0000 0.0000 34324.9676 -149399.0283 299.7685 -183723.9959 -149305.8961 298.8530 92.8965 123.4738 555147.0959 1.7766 1.3637 PRESSURE: 3847000 -71.5084 79.7662 -3.57627 79.7657 -84.6928 51.1416 -3.57606 51.1426 -17.2742 GPRESSURE: 3847000 -46.3085 81.8028 19.7592 75.2948 0.156641 117.648 4.1108 52.2426 -29.4846 PRESSAVG: 3847000 29.0768 6.02244 43.2757 6.02252 -21.3689 -16.1308 43.2758 -16.1307 -47.3356 GPRESSAVG: 3847000 30.5628 6.90064 44.997 5.79708 -23.9027 -16.8933 41.4653 -16.5827 -46.2039 TIMING: 3847000 CPU: 11572.1, 0.00300011/step Wall: 11572.1, 0.00300011/step, 0.960868 hours remaining, 209.324219 MB of memory in use. ENERGY: 3847000 754.1690 2132.0082 1953.2430 117.6577 -206293.2248 17770.2840 0.0000 0.0000 34247.6246 -149318.2382 299.0930 -183565.8628 -149219.6649 299.0076 -57.8251 -25.2122 557585.7759 -13.2092 -13.1813 PRESSURE: 3847200 55.8951 77.085 -4.38483 77.0834 -41.8476 -42.2915 -4.38536 -42.2916 -29.19 GPRESSURE: 3847200 54.2257 11.4322 -66.6566 -11.2364 2.69346 -36.4221 -23.3652 -127.31 23.435 PRESSAVG: 3847200 0.781811 -21.9043 -44.3962 -21.9043 30.4003 -38.7374 -44.3963 -38.7375 -20.2033 GPRESSAVG: 3847200 1.07533 -21.8742 -46.2186 -22.605 30.9513 -36.2924 -42.6835 -40.8068 -21.7454 TIMING: 3847200 CPU: 11572.7, 0.00299294/step Wall: 11572.7, 0.00299294/step, 0.958405 hours remaining, 209.324219 MB of memory in use. ENERGY: 3847200 735.2624 2122.4802 1954.1172 108.6396 -206008.5089 17760.8246 0.0000 0.0000 33988.4611 -149338.7238 296.8297 -183327.1849 -149244.2012 298.5865 -5.0475 26.7847 556958.6281 3.6596 3.4271 PRESSURE: 3847400 -82.8775 -105.022 -209.113 -105.021 124.691 152.553 -209.113 152.553 29.329 GPRESSURE: 3847400 -57.3282 -101.505 -122.674 -136.391 161.333 177.57 -215.343 38.0657 73.715 PRESSAVG: 3847400 45.4997 -4.98925 -13.8031 -4.98931 -10.727 7.9287 -13.8032 7.92872 -4.77632 GPRESSAVG: 3847400 43.5863 -5.56497 -12.9503 -4.01084 -10.0269 3.92121 -13.1334 11.979 -3.31329 TIMING: 3847400 CPU: 11573.3, 0.00297224/step Wall: 11573.3, 0.00297224/step, 0.951613 hours remaining, 209.324219 MB of memory in use. ENERGY: 3847400 743.6973 2106.2278 1944.3663 116.4572 -206370.4079 17956.9076 0.0000 0.0000 34133.9836 -149368.7681 298.1006 -183502.7517 -149276.1979 298.8749 23.7142 59.2398 557451.4767 9.9988 10.0820 PRESSURE: 3847600 21.6674 106.985 -109.698 106.985 -78.1703 -40.0489 -109.699 -40.0495 22.6327 GPRESSURE: 3847600 52.7795 -0.272653 -74.9032 145.729 -8.69774 10.1971 -92.5498 -33.2159 14.5171 PRESSAVG: 3847600 -27.7211 -24.4498 -14.6705 -24.4498 26.0865 -19.9808 -14.6705 -19.9808 18.8839 GPRESSAVG: 3847600 -26.6784 -25.7658 -13.7968 -24.6617 25.2939 -19.0306 -16.4963 -21.5751 18.6155 TIMING: 3847600 CPU: 11573.8, 0.00295893/step Wall: 11573.8, 0.00295893/step, 0.947186 hours remaining, 209.324219 MB of memory in use. ENERGY: 3847600 745.2719 2092.6285 1934.7245 100.2369 -206385.6390 17910.6417 0.0000 0.0000 34132.9366 -149469.1988 298.0914 -183602.1354 -149378.1367 298.0723 -11.2901 19.5330 557869.8233 5.7498 5.7437 PRESSURE: 3847800 -215.273 36.1452 -67.6587 36.1451 -259.801 49.994 -67.6592 49.9954 29.6069 GPRESSURE: 3847800 -184.631 54.2436 -126.275 -22.9054 -196.72 91.0906 -43.9337 -45.1329 30.9079 PRESSAVG: 3847800 1.91267 -11.7937 -10.4296 -11.7936 52.8846 36.0063 -10.4297 36.0064 2.45153 GPRESSAVG: 3847800 0.431242 -9.79783 -12.7799 -12.6679 53.3893 38.9675 -9.02362 36.163 2.93346 TIMING: 3847800 CPU: 11574.4, 0.00297108/step Wall: 11574.4, 0.00297108/step, 0.950909 hours remaining, 209.324219 MB of memory in use. ENERGY: 3847800 713.4859 2048.8688 1938.7257 108.7110 -206234.7760 17591.4694 0.0000 0.0000 34254.5685 -149578.9468 299.1537 -183833.5153 -149477.8649 298.9521 -148.4889 -116.8143 558623.0280 19.0829 18.9180 PRESSURE: 3848000 -140.659 27.4103 58.417 27.4101 40.1072 21.3286 58.4165 21.3305 -55.3222 GPRESSURE: 3848000 -59.7962 54.7326 80.0777 46.8164 59.1065 57.3847 -63.381 -12.8283 -54.7808 PRESSAVG: 3848000 36.4494 13.4236 -7.03289 13.4236 -26.3029 13.1839 -7.03287 13.1839 -28.7071 GPRESSAVG: 3848000 38.025 12.9752 -2.94501 12.7881 -27.5205 10.7684 -9.78094 12.9756 -29.3589 TIMING: 3848000 CPU: 11575, 0.00298788/step Wall: 11575, 0.00298788/step, 0.956123 hours remaining, 209.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3848000 752.6766 2015.8319 1931.4979 109.6658 -206431.8463 17877.0638 0.0000 0.0000 34000.0048 -149745.1054 296.9305 -183745.1103 -149645.7002 298.1926 -51.9581 -18.4902 558376.8264 -6.1869 -6.2848 PRESSURE: 3848200 59.7151 33.5983 42.6591 33.5988 23.2479 6.74961 42.661 6.75025 68.7672 GPRESSURE: 3848200 81.9371 85.5102 40.964 -28.1344 22.9974 23.8259 -19.0383 -27.5648 147.062 PRESSAVG: 3848200 -38.5879 16.3418 42.2827 16.3418 -0.288334 -31.94 42.2826 -31.94 0.0330471 GPRESSAVG: 3848200 -39.0792 15.8964 37.623 16.3421 -0.9121 -30.5261 43.7414 -32.2669 1.3047 TIMING: 3848200 CPU: 11575.6, 0.00296091/step Wall: 11575.6, 0.00296091/step, 0.947325 hours remaining, 209.324219 MB of memory in use. ENERGY: 3848200 772.2783 2013.3088 1944.3592 105.3814 -206789.0047 18132.8012 0.0000 0.0000 34208.8054 -149612.0704 298.7540 -183820.8758 -149516.4523 297.5817 50.5767 83.9988 557191.4994 -12.9477 -12.8955 LDB: ============= START OF LOAD BALANCING ============== 11579.1 LDB: ============== END OF LOAD BALANCING =============== 11579.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11579.1 LDB: ============= START OF LOAD BALANCING ============== 11579.4 LDB: Largest compute 4802 load 0.028123 is 23.8% of average load 0.118321 LDB: Average compute 0.001724 is 1.5% of average load 0.118321 LDB: TIME 11579.4 LOAD: AVG 0.118321 MAX 0.209557 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.453 MB LDB: TIME 11579.4 LOAD: AVG 0.118321 MAX 0.209557 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.656 MB LDB: TIME 11579.4 LOAD: AVG 0.118321 MAX 0.209557 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.656 MB LDB: ============== END OF LOAD BALANCING =============== 11579.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11579.5 PRESSURE: 3848400 35.6296 1.86435 53.1202 1.86598 3.80423 20.8219 53.1207 20.8219 -251.999 GPRESSURE: 3848400 56.7458 0.346712 -9.20496 -10.416 69.7129 75.6803 74.9928 38.0869 -245.832 PRESSAVG: 3848400 8.30253 -45.3803 -7.11522 -45.3803 -29.7578 -33.9318 -7.11527 -33.9319 32.6415 GPRESSAVG: 3848400 7.90521 -47.0302 -4.92634 -45.6744 -29.0761 -35.1531 -6.20546 -34.0628 32.5827 TIMING: 3848400 CPU: 11576.2, 0.0030377/step Wall: 11576.2, 0.0030377/step, 0.971727 hours remaining, 208.996094 MB of memory in use. ENERGY: 3848400 749.3870 2046.5977 1930.3402 106.1350 -206281.9371 17649.3996 0.0000 0.0000 34198.3652 -149601.7124 298.6628 -183800.0776 -149501.6687 298.0403 -70.8551 -39.7912 557991.1423 3.7287 3.8039 PRESSURE: 3848600 -31.4356 -216.7 138.58 -216.7 160.295 97.8497 138.58 97.8507 2.17118 GPRESSURE: 3848600 -30.928 -221.026 105.236 -104.64 183.511 93.7597 171.723 46.042 82.4235 PRESSAVG: 3848600 16.1856 -39.0896 41.2897 -39.0896 -23.7911 46.7121 41.2897 46.7121 28.6476 GPRESSAVG: 3848600 17.741 -39.7123 41.8742 -36.8288 -24.8855 48.8421 41.2974 46.8175 28.3992 TIMING: 3848600 CPU: 11576.8, 0.00296638/step Wall: 11576.8, 0.00296638/step, 0.948749 hours remaining, 209.066406 MB of memory in use. ENERGY: 3848600 731.5765 2061.9159 1958.2094 125.0683 -206478.2047 17856.8721 0.0000 0.0000 34028.9563 -149715.6061 297.1833 -183744.5624 -149631.2719 297.1044 43.6768 78.3357 557395.5854 7.0140 7.0849 PRESSURE: 3848800 -113.115 -75.334 33.9678 -75.3346 159.017 -34.1148 33.9674 -34.1149 -142.083 GPRESSURE: 3848800 -64.768 -149.553 6.32974 25.0393 150.604 -4.98958 15.8843 38.2782 -65.8698 PRESSAVG: 3848800 -18.2933 -22.2681 -14.3212 -22.2682 23.2612 35.9383 -14.3211 35.9381 -2.5359 GPRESSAVG: 3848800 -19.8611 -19.7857 -14.4239 -23.2865 24.0988 35.1882 -15.0665 36.2846 -2.63697 TIMING: 3848800 CPU: 11577.4, 0.00300097/step Wall: 11577.4, 0.00300097/step, 0.959644 hours remaining, 209.066406 MB of memory in use. ENERGY: 3848800 770.4792 2116.1154 1973.9108 118.6293 -206921.9788 17996.0111 0.0000 0.0000 34250.1825 -149696.6504 299.1154 -183946.8330 -149603.9214 298.1144 -32.0603 6.6556 559435.1235 0.8107 0.5336 PRESSURE: 3849000 256.035 57.6499 -111.957 57.6496 -233.275 144.454 -111.957 144.454 119.742 GPRESSURE: 3849000 283.302 22.1539 -101.208 29.8791 -163.51 151.948 -112.764 79.211 125.828 PRESSAVG: 3849000 26.8146 3.9688 7.24323 3.96879 7.91329 28.9974 7.24323 28.9975 -4.9551 GPRESSAVG: 3849000 27.6786 2.41673 5.85676 4.49755 8.80507 28.4828 8.5208 27.7618 -6.59258 TIMING: 3849000 CPU: 11578, 0.00298874/step Wall: 11578, 0.00298874/step, 0.955566 hours remaining, 209.066406 MB of memory in use. ENERGY: 3849000 715.0792 2055.3486 1952.8858 99.6052 -206766.6021 18017.2733 0.0000 0.0000 34078.6603 -149847.7498 297.6174 -183926.4101 -149752.5662 297.5250 47.5009 81.8732 556851.5726 9.9243 9.9637 PRESSURE: 3849200 -78.7899 -115.809 42.9004 -115.81 -154.158 75.9693 42.8991 75.9685 -203.451 GPRESSURE: 3849200 -101.62 -66.7996 19.0207 -33.56 -67.7889 51.8736 28.1937 55.5371 -174.104 PRESSAVG: 3849200 -2.86574 49.9992 -14.7525 49.9991 8.48432 29.0507 -14.7526 29.0506 -22.9036 GPRESSAVG: 3849200 -3.34109 50.5148 -13.9559 50.3597 7.57302 28.3039 -14.105 27.9471 -21.7549 TIMING: 3849200 CPU: 11578.6, 0.00301911/step Wall: 11578.6, 0.00301911/step, 0.965109 hours remaining, 209.066406 MB of memory in use. ENERGY: 3849200 711.3577 2055.9302 1943.9756 107.4419 -206328.2703 17620.4205 0.0000 0.0000 34025.1044 -149864.0401 297.1497 -183889.1445 -149764.2972 297.6670 -145.4663 -114.5042 557809.3982 -5.7617 -5.8410 PRESSURE: 3849400 52.8849 -66.956 45.1437 -66.9556 191.235 -104.729 45.1436 -104.729 -31.0504 GPRESSURE: 3849400 79.258 -91.5528 -7.20728 -17.2804 215.239 -151.067 -25.484 42.7122 13.5082 PRESSAVG: 3849400 9.40828 -29.1586 33.0139 -29.1588 1.73441 -15.7833 33.0138 -15.7834 34.4009 GPRESSAVG: 3849400 8.92665 -29.5996 31.8876 -29.1347 0.421888 -16.4586 34.0036 -11.2649 35.6752 TIMING: 3849400 CPU: 11579.2, 0.00299409/step Wall: 11579.2, 0.00299409/step, 0.956944 hours remaining, 209.066406 MB of memory in use. ENERGY: 3849400 736.9323 2040.9548 1953.1768 104.8521 -206601.1836 17961.0949 0.0000 0.0000 34115.1229 -149689.0498 297.9359 -183804.1727 -149595.6063 297.9846 71.0230 102.6683 556310.3460 15.1812 15.0079 PRESSURE: 3849600 62.5969 -176.911 -27.8179 -176.911 -184.917 194.283 -27.8186 194.282 26.97 GPRESSURE: 3849600 114.161 -148.131 34.1172 -146.295 -133.323 168.597 37.8664 122.102 24.9429 PRESSAVG: 3849600 8.87551 -53.9846 17.7719 -53.9846 -29.7681 -14.5114 17.7719 -14.5114 9.01165 GPRESSAVG: 3849600 8.42083 -53.9964 19.186 -54.637 -28.8016 -13.6132 15.0027 -16.4762 8.87905 TIMING: 3849600 CPU: 11579.8, 0.00297341/step Wall: 11579.8, 0.00297341/step, 0.950169 hours remaining, 209.269531 MB of memory in use. ENERGY: 3849600 706.6960 2085.0792 1944.9731 110.7686 -206364.2426 17646.4043 0.0000 0.0000 33987.7437 -149882.5777 296.8234 -183870.3214 -149783.6118 297.8287 -31.7832 1.9268 555414.7789 -3.9603 -3.8339 PRESSURE: 3849800 -341.637 40.9301 21.6886 40.9304 189.717 32.9128 21.6892 32.9135 153.165 GPRESSURE: 3849800 -266.323 33.2996 70.7794 51.1072 239.298 23.3684 -15.2321 41.6815 124.248 PRESSAVG: 3849800 -13.214 -21.5038 -24.6993 -21.5038 -12.8993 0.27925 -24.6993 0.279279 83.9919 GPRESSAVG: 3849800 -11.937 -21.1138 -23.6786 -22.3388 -13.4915 1.02905 -24.3634 0.0517036 83.1205 TIMING: 3849800 CPU: 11580.4, 0.0029536/step Wall: 11580.4, 0.0029536/step, 0.943675 hours remaining, 209.269531 MB of memory in use. ENERGY: 3849800 671.1545 2036.0755 1947.3159 109.8589 -206601.3247 17768.2263 0.0000 0.0000 34268.0684 -149800.6253 299.2716 -184068.6937 -149700.0478 297.7385 0.4149 32.4076 555789.7517 19.2929 19.2307 PRESSURE: 3850000 -19.8259 -62.8252 -16.2247 -62.8254 -1.49787 41.1117 -16.2237 41.1127 -30.4481 GPRESSURE: 3850000 33.6854 -1.07831 -44.1056 -37.6057 42.8877 97.4898 9.2151 102.328 -31.8801 PRESSAVG: 3850000 -7.63412 0.0710689 45.8792 0.0711075 -6.29176 20.8631 45.8793 20.8633 31.901 GPRESSAVG: 3850000 -5.65474 3.12621 44.0991 -1.43182 -7.40372 21.0187 46.7663 20.3963 31.3987 TIMING: 3850000 CPU: 11581, 0.00297374/step Wall: 11581, 0.00297374/step, 0.949944 hours remaining, 209.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3850000 751.3574 2048.3785 1935.2380 107.9555 -206839.8797 18102.9368 0.0000 0.0000 34088.3404 -149805.6731 297.7020 -183894.0135 -149715.1242 298.1528 -17.2573 14.8976 556141.2937 5.9917 6.1134 PRESSURE: 3850200 -18.7542 5.90881 -75.9919 5.90896 -111.707 94.6276 -75.991 94.6265 -71.4635 GPRESSURE: 3850200 -58.653 72.9269 -112.668 -2.22678 -73.5199 74.2638 7.46688 103.954 29.0806 PRESSAVG: 3850200 -52.7507 -34.0732 -33.7735 -34.0732 10.423 13.6649 -33.7735 13.665 2.63751 GPRESSAVG: 3850200 -54.9592 -35.699 -34.1812 -30.1351 12.0288 14.0932 -32.6762 12.7028 3.18805 TIMING: 3850200 CPU: 11581.6, 0.00298128/step Wall: 11581.6, 0.00298128/step, 0.952189 hours remaining, 209.269531 MB of memory in use. ENERGY: 3850200 735.0303 2056.8112 1918.4247 100.0735 -206527.2591 17802.5555 0.0000 0.0000 34094.1920 -149820.1720 297.7531 -183914.3640 -149728.7034 297.1230 -67.3083 -34.3641 556241.6643 -13.2301 -13.2474 PRESSURE: 3850400 -315.989 22.5562 -44.5624 22.5575 -80.2683 52.3067 -44.5621 52.308 -106.254 GPRESSURE: 3850400 -244.393 17.3673 -66.5258 4.34915 -76.9923 -41.8905 -112.899 128.926 -81.4602 PRESSAVG: 3850400 -17.5994 13.6503 -34.4011 13.6505 -23.5002 30.1489 -34.4012 30.149 21.6644 GPRESSAVG: 3850400 -17.0013 14.5284 -33.8362 11.4026 -24.541 27.3768 -35.9721 33.6319 21.7734 TIMING: 3850400 CPU: 11582.2, 0.0029925/step Wall: 11582.2, 0.0029925/step, 0.955606 hours remaining, 209.269531 MB of memory in use. ENERGY: 3850400 730.7111 2077.0338 1939.4833 116.2400 -206318.1265 17629.8389 0.0000 0.0000 34050.9810 -149773.8382 297.3757 -183824.8193 -149681.4998 297.8112 -167.5039 -134.2820 558228.7874 -6.4784 -6.5896 PRESSURE: 3850600 -42.25 99.8007 12.82 99.7996 -108.127 107.58 12.8187 107.58 -262.642 GPRESSURE: 3850600 10.2897 52.5107 92.0707 143.539 -97.117 98.971 49.0399 4.82039 -238.727 PRESSAVG: 3850600 -48.5673 26.3236 -4.32389 26.3237 35.6492 -17.2358 -4.32385 -17.2356 26.0605 GPRESSAVG: 3850600 -49.3813 26.0061 -4.04226 26.0958 36.6359 -15.5454 -3.8953 -18.143 25.5965 TIMING: 3850600 CPU: 11582.8, 0.00300174/step Wall: 11582.8, 0.00300174/step, 0.958389 hours remaining, 209.269531 MB of memory in use. ENERGY: 3850600 733.0038 2159.7932 1933.0060 102.3980 -206383.0980 17613.1153 0.0000 0.0000 34084.2569 -149757.5247 297.6663 -183841.7816 -149660.8028 298.0673 -137.6729 -108.5180 556217.4640 4.3808 4.2837 PRESSURE: 3850800 -73.453 72.0256 87.3024 72.0274 197.958 -16.3309 87.3034 -16.3298 89.253 GPRESSURE: 3850800 -89.1431 -9.20409 94.6235 87.0729 252.39 47.6622 73.3175 25.5466 126.66 PRESSAVG: 3850800 -33.9551 47.8294 -45.0468 47.8293 39.9193 5.2315 -45.0468 5.23157 27.2303 GPRESSAVG: 3850800 -33.7946 46.042 -44.2092 49.3093 39.6736 7.62085 -46.1074 3.18746 27.0117 TIMING: 3850800 CPU: 11583.4, 0.00298801/step Wall: 11583.4, 0.00298801/step, 0.95384 hours remaining, 209.269531 MB of memory in use. ENERGY: 3850800 779.5079 2099.1619 1949.4899 110.6129 -206970.2260 18036.6223 0.0000 0.0000 34201.0589 -149793.7722 298.6864 -183994.8311 -149695.1647 298.1462 71.2526 96.6358 558170.7246 11.0648 10.9636 PRESSURE: 3851000 -112.751 -33.079 -11.9411 -33.0788 -45.6693 125.791 -11.9407 125.79 154.249 GPRESSURE: 3851000 -85.8153 -78.1779 -49.145 17.9567 16.5294 202.965 1.67358 92.1482 163.251 PRESSAVG: 3851000 -15.5189 -1.4014 -44.6413 -1.40135 109.356 57.8175 -44.6413 57.8175 -25.6883 GPRESSAVG: 3851000 -15.5299 0.985938 -44.2941 -2.74069 109.096 56.3672 -44.6014 58.836 -25.695 TIMING: 3851000 CPU: 11584, 0.00297468/step Wall: 11584, 0.00297468/step, 0.94942 hours remaining, 209.269531 MB of memory in use. ENERGY: 3851000 733.8770 2119.8863 1934.1309 119.3010 -206710.7502 17946.9577 0.0000 0.0000 34023.9489 -149832.6484 297.1396 -183856.5972 -149735.9183 297.4734 -1.3905 31.3219 557431.3970 22.7163 22.6237 PRESSURE: 3851200 -278.364 243.508 -135.628 243.506 -424.567 35.0047 -135.628 35.0057 -359.91 GPRESSURE: 3851200 -267.929 139.107 -102.518 279.74 -354.715 56.706 -129.152 9.01618 -345.392 PRESSAVG: 3851200 -66.6847 54.2618 -30.9392 54.2618 32.7769 47.3557 -30.9393 47.3557 -1.71823 GPRESSAVG: 3851200 -67.4546 53.6088 -32.2388 54.4494 32.8586 47.7298 -28.7584 47.7966 -1.04345 TIMING: 3851200 CPU: 11584.6, 0.00299225/step Wall: 11584.6, 0.00299225/step, 0.954861 hours remaining, 209.269531 MB of memory in use. ENERGY: 3851200 762.2467 2123.3456 1935.1326 106.9248 -206374.1308 17523.3621 0.0000 0.0000 34104.8720 -149818.2470 297.8463 -183923.1190 -149720.4195 297.9072 -354.2802 -322.6784 558480.2650 -11.8753 -11.8798 PRESSURE: 3851400 123.141 182.759 145.055 182.759 119.586 -122.891 145.056 -122.892 -14.74 GPRESSURE: 3851400 106.369 146.604 135.782 137.763 205.536 -47.1569 81.4542 -141.127 17.7141 PRESSAVG: 3851400 -3.44508 20.2365 -11.871 20.2365 -8.94429 23.1665 -11.8711 23.1664 39.4485 GPRESSAVG: 3851400 -3.40703 22.0439 -9.1771 20.8849 -8.61232 23.242 -13.4868 21.7741 39.198 TIMING: 3851400 CPU: 11585.2, 0.00297144/step Wall: 11585.2, 0.00297144/step, 0.948056 hours remaining, 209.269531 MB of memory in use. ENERGY: 3851400 707.4324 2083.2740 1954.9337 112.7898 -206472.3452 17946.6668 0.0000 0.0000 34008.0428 -149659.2057 297.0007 -183667.2485 -149560.2338 298.1093 75.9958 109.8730 557252.4446 9.0197 9.0596 PRESSURE: 3851600 -24.9168 83.3416 9.12718 83.3401 268.876 5.04991 9.12715 5.05035 93.2403 GPRESSURE: 3851600 -46.732 78.8276 57.0783 115.285 341.16 8.03408 38.531 18.7239 139.27 PRESSAVG: 3851600 11.2512 25.183 15.7062 25.183 9.99974 11.3187 15.7062 11.3188 25.2017 GPRESSAVG: 3851600 11.6297 24.6103 13.7361 23.6609 10.3411 8.74566 15.2033 14.4196 24.3624 TIMING: 3851600 CPU: 11585.8, 0.00302718/step Wall: 11585.8, 0.00302718/step, 0.965671 hours remaining, 209.269531 MB of memory in use. ENERGY: 3851600 734.7416 2092.1131 1956.2874 115.5195 -206715.7067 18020.6902 0.0000 0.0000 34167.7759 -149628.5789 298.3957 -183796.3548 -149538.6889 297.4810 112.3999 144.5659 557311.3748 15.4842 15.4444 PRESSURE: 3851800 -293.898 -156.271 -55.8771 -156.271 -544.724 68.0081 -55.8778 68.0073 -120.781 GPRESSURE: 3851800 -230.535 -149.035 -9.05926 -80.479 -554.896 108.659 2.29319 22.6133 -65.8627 PRESSAVG: 3851800 18.9543 18.0529 37.1628 18.053 -21.5815 32.1703 37.1628 32.1702 18.4157 GPRESSAVG: 3851800 20.5247 18.0004 37.6712 19.6846 -22.6328 32.2763 37.4573 29.517 18.4207 TIMING: 3851800 CPU: 11586.4, 0.00298226/step Wall: 11586.4, 0.00298226/step, 0.951174 hours remaining, 209.269531 MB of memory in use. ENERGY: 3851800 768.2310 2026.2284 1912.6528 124.7758 -206128.3450 17452.6075 0.0000 0.0000 34213.3414 -149630.5080 298.7936 -183843.8495 -149531.3637 298.3634 -319.8011 -283.7647 557972.4082 5.2628 5.4375 PRESSURE: 3852000 -60.6712 51.2989 -61.9817 51.2987 -301.632 25.2582 -61.9815 25.2606 -210.952 GPRESSURE: 3852000 13.0893 -9.48646 -3.91073 123.354 -271.314 -6.32172 -158.989 26.5613 -209.242 PRESSAVG: 3852000 95.9774 15.7775 3.06279 15.7774 -74.4096 -10.6722 3.06282 -10.6721 14.4931 GPRESSAVG: 3852000 94.9123 15.3551 1.78393 16.2389 -74.1058 -9.46462 5.56953 -11.5572 15.6462 TIMING: 3852000 CPU: 11587, 0.00296413/step Wall: 11587, 0.00296413/step, 0.945228 hours remaining, 209.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3852000 673.9298 2010.6857 1910.9570 107.6220 -206244.7992 17650.0046 0.0000 0.0000 33991.9401 -149899.6600 296.8601 -183891.6001 -149805.4016 297.3073 -191.0849 -155.8224 559324.4162 12.0203 12.1509 PRESSURE: 3852200 104.856 -139.058 -80.5553 -139.059 71.5627 150.497 -80.5555 150.497 -126.749 GPRESSURE: 3852200 133.744 -150.511 -118.842 -193.723 108.664 69.868 -39.12 108.613 -105.799 PRESSAVG: 3852200 29.7637 3.98535 10.7264 3.98534 -9.25943 -18.4203 10.7263 -18.4204 -48.9059 GPRESSAVG: 3852200 30.2914 6.40104 10.7599 0.851591 -8.43731 -16.8023 9.94885 -18.9409 -50.2079 TIMING: 3852200 CPU: 11587.6, 0.00295421/step Wall: 11587.6, 0.00295421/step, 0.941902 hours remaining, 209.269531 MB of memory in use. ENERGY: 3852200 715.7149 2052.3024 1921.8208 107.3293 -206324.0635 17755.9876 0.0000 0.0000 33963.2042 -149807.7043 296.6091 -183770.9085 -149713.4575 297.1374 16.5566 45.5367 557798.5157 -9.4672 -9.4513 LDB: ============= START OF LOAD BALANCING ============== 11591.1 LDB: ============== END OF LOAD BALANCING =============== 11591.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11591.1 LDB: ============= START OF LOAD BALANCING ============== 11591.4 LDB: Largest compute 4802 load 0.028871 is 24.4% of average load 0.118242 LDB: Average compute 0.001722 is 1.5% of average load 0.118242 LDB: TIME 11591.4 LOAD: AVG 0.118242 MAX 0.210156 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.484 MB LDB: TIME 11591.4 LOAD: AVG 0.118242 MAX 0.210156 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.727 MB LDB: TIME 11591.4 LOAD: AVG 0.118242 MAX 0.210156 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.727 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11591.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11591.4 PRESSURE: 3852400 95.387 -51.5787 -6.88955 -51.5785 -67.2346 43.4881 -6.88856 43.4888 -5.081 GPRESSURE: 3852400 89.1226 -35.592 49.5583 -32.5947 15.9192 44.8949 -19.7995 64.5585 18.5563 PRESSAVG: 3852400 78.0475 21.8366 -41.4197 21.8366 -35.5464 -27.283 -41.4196 -27.2831 -12.0858 GPRESSAVG: 3852400 77.1497 18.4784 -39.5638 23.1101 -36.4099 -27.0582 -42.9758 -26.3223 -10.754 TIMING: 3852400 CPU: 11588.2, 0.00300924/step Wall: 11588.2, 0.00300924/step, 0.95928 hours remaining, 210.667969 MB of memory in use. ENERGY: 3852400 752.6244 2017.0158 1932.1734 112.0357 -206439.4587 17812.0092 0.0000 0.0000 34144.2273 -149669.3729 298.1900 -183813.6002 -149577.8021 297.5580 7.6904 41.1993 555648.6869 10.1384 9.9953 PRESSURE: 3852600 -1.55307 -6.95781 1.86374 -6.95841 248.209 -115.542 1.86417 -115.542 105.49 GPRESSURE: 3852600 52.557 -22.213 -23.8416 19.7846 247.792 -55.2393 5.59138 -181.299 170.311 PRESSAVG: 3852600 -8.96006 -28.793 -16.8347 -28.793 -5.46341 12.3433 -16.8347 12.3433 14.1203 GPRESSAVG: 3852600 -8.91407 -26.4125 -18.5201 -28.3427 -5.08204 11.4957 -15.49 12.5058 13.6659 TIMING: 3852600 CPU: 11588.8, 0.00297871/step Wall: 11588.8, 0.00297871/step, 0.94938 hours remaining, 210.871094 MB of memory in use. ENERGY: 3852600 726.9310 2032.0137 1915.7396 113.2488 -206243.0705 17767.8024 0.0000 0.0000 34169.6671 -149517.6680 298.4122 -183687.3350 -149422.5628 297.8678 117.3821 156.8868 556194.6475 -0.1010 -0.1101 PRESSURE: 3852800 90.213 99.96 113.071 99.9597 224.357 123.424 113.07 123.423 -1.89947 GPRESSURE: 3852800 152.288 70.1478 76.0799 116.921 295.122 85.314 138.723 126.033 -41.3193 PRESSAVG: 3852800 -9.38304 17.2059 31.8741 17.206 46.2785 12.6964 31.8741 12.6965 -34.0373 GPRESSAVG: 3852800 -10.5424 16.0229 33.1331 16.5668 46.4249 13.7932 28.7684 14.1263 -33.3794 TIMING: 3852800 CPU: 11589.4, 0.00299587/step Wall: 11589.4, 0.00299587/step, 0.954683 hours remaining, 210.871094 MB of memory in use. ENERGY: 3852800 734.8911 2048.8054 1926.1531 101.5588 -205928.7757 17765.3175 0.0000 0.0000 34064.1316 -149287.9184 297.4905 -183352.0499 -149186.3616 297.8387 104.2234 135.3637 556220.6587 0.9527 0.8344 PRESSURE: 3853000 -153.195 -38.4426 -16.5308 -38.4406 -181.928 24.788 -16.5312 24.7877 -97.8675 GPRESSURE: 3853000 -100.791 -77.6043 -44.3609 -24.2253 -137.229 -38.6482 -15.1896 49.7129 -104.409 PRESSAVG: 3853000 -28.0039 3.03938 20.5424 3.03946 2.14099 24.7688 20.5424 24.7687 1.03614 GPRESSAVG: 3853000 -26.6158 2.12376 20.5535 3.14283 2.13155 23.1195 22.541 24.6434 -0.123973 TIMING: 3853000 CPU: 11590, 0.00300487/step Wall: 11590, 0.00300487/step, 0.957384 hours remaining, 210.871094 MB of memory in use. ENERGY: 3853000 736.0679 2101.3242 1915.5003 111.0178 -205606.6671 17291.3283 0.0000 0.0000 34202.4246 -149249.0041 298.6983 -183451.4286 -149154.8833 298.7855 -144.3303 -114.1430 557271.0993 -8.2756 -8.2027 PRESSURE: 3853200 -30.0135 125.832 -80.9416 125.831 -178.259 -146.494 -80.9409 -146.492 -14.2406 GPRESSURE: 3853200 -8.59383 139.527 -106.583 83.9992 -109.685 -156.052 -59.5389 -118.338 -11.5446 PRESSAVG: 3853200 24.964 -2.64262 11.4933 -2.64264 -16.262 -70.1062 11.4933 -70.1062 -36.0402 GPRESSAVG: 3853200 24.6459 -2.61804 9.56431 -3.62762 -16.0371 -69.5832 13.4594 -69.324 -36.4305 TIMING: 3853200 CPU: 11590.6, 0.00296169/step Wall: 11590.6, 0.00296169/step, 0.943462 hours remaining, 210.871094 MB of memory in use. ENERGY: 3853200 752.8706 2037.3759 1921.2126 122.8114 -206060.8389 17643.5451 0.0000 0.0000 34243.2454 -149339.7779 299.0548 -183583.0233 -149248.9326 299.4296 -74.1712 -43.2744 557234.3671 -9.1127 -9.2739 PRESSURE: 3853400 -89.6758 -80.5745 8.11868 -80.5755 -192.838 -188.052 8.11756 -188.052 9.65752 GPRESSURE: 3853400 -45.2418 -9.40701 49.5125 -165.166 -122.631 -134.417 48.4505 -211.428 3.86068 PRESSAVG: 3853400 -8.27692 -42.9163 9.44204 -42.9162 -26.387 -82.344 9.4421 -82.3441 25.7769 GPRESSAVG: 3853400 -8.0142 -40.9143 9.11543 -42.5658 -26.927 -83.1383 9.35476 -83.8131 26.5471 TIMING: 3853400 CPU: 11591.2, 0.00295721/step Wall: 11591.2, 0.00295721/step, 0.941872 hours remaining, 210.871094 MB of memory in use. ENERGY: 3853400 752.6491 2067.1215 1932.6393 107.8047 -206210.9507 17747.7685 0.0000 0.0000 34252.9868 -149349.9808 299.1399 -183602.9676 -149254.1999 299.2544 -90.9520 -54.6707 556837.4708 -2.9623 -2.7980 PRESSURE: 3853600 69.3421 -17.5764 94.9634 -17.5765 -50.3747 126.295 94.9629 126.294 -412.396 GPRESSURE: 3853600 128.006 -55.3299 157.967 83.599 -49.1557 58.6112 45.7285 179.228 -368.053 PRESSAVG: 3853600 41.1161 9.62067 27.3403 9.62072 -0.863248 -3.01759 27.3403 -3.01774 -16.6039 GPRESSAVG: 3853600 39.9558 7.17283 28.2801 11.1637 0.159499 -2.26809 25.6003 -1.6571 -16.3215 TIMING: 3853600 CPU: 11591.8, 0.00297654/step Wall: 11591.8, 0.00297654/step, 0.947863 hours remaining, 210.871094 MB of memory in use. ENERGY: 3853600 734.7684 2137.5259 1918.2782 110.4129 -206004.1646 17481.7919 0.0000 0.0000 34291.4714 -149329.9158 299.4759 -183621.3873 -149237.8924 299.0158 -131.1428 -96.4008 557087.3747 7.8830 7.9313 PRESSURE: 3853800 304.788 77.9726 -135.98 77.9739 126.695 78.9615 -135.98 78.96 258.159 GPRESSURE: 3853800 303.145 108.502 -109.719 12.9093 144.806 75.3051 -18.5549 66.2265 334.721 PRESSAVG: 3853800 77.0333 -15.7566 -31.5332 -15.7566 -26.5315 7.94143 -31.5333 7.94142 -38.6226 GPRESSAVG: 3853800 78.2863 -14.2593 -32.6739 -17.9294 -26.8759 4.83089 -28.9821 9.16168 -39.7812 TIMING: 3853800 CPU: 11592.4, 0.002995/step Wall: 11592.4, 0.002995/step, 0.953574 hours remaining, 210.871094 MB of memory in use. ENERGY: 3853800 745.4587 2078.0918 1934.8110 100.8613 -206871.6866 18239.8785 0.0000 0.0000 34508.3876 -149264.1976 301.3703 -183772.5852 -149166.4476 299.0337 229.8808 260.8906 555479.4696 3.9597 3.8764 PRESSURE: 3854000 -152.088 -59.1535 29.2536 -59.154 63.0809 21.0395 29.2539 21.0407 -132.862 GPRESSURE: 3854000 -67.5632 -59.6591 72.0726 30.2151 72.6014 46.103 7.2095 100.594 -129.37 PRESSAVG: 3854000 54.5226 15.8902 -19.2821 15.8901 33.2762 -5.79269 -19.2821 -5.7927 -47.6837 GPRESSAVG: 3854000 53.5775 16.8319 -19.7864 16.4143 32.5533 -2.23501 -19.5361 -7.39278 -45.8331 TIMING: 3854000 CPU: 11592.9, 0.00297714/step Wall: 11592.9, 0.00297714/step, 0.947724 hours remaining, 210.871094 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: 3854000 706.6993 2086.1382 1919.4086 124.9849 -205874.7317 17669.1707 0.0000 0.0000 34215.2640 -149153.0659 298.8104 -183368.3300 -149053.6209 299.4649 -73.9565 -41.4440 557994.2804 13.3717 13.4325 PRESSURE: 3854200 34.111 -47.1086 -109.126 -47.1084 102.421 192.066 -109.127 192.066 -82.665 GPRESSURE: 3854200 66.3557 -66.7938 -129.263 -34.5022 153.336 150.842 -121.795 186.977 -81.4616 PRESSAVG: 3854200 1.50259 -26.6139 -32.2918 -26.6138 -47.3997 8.65063 -32.2918 8.65057 16.9761 GPRESSAVG: 3854200 2.44425 -28.5383 -31.2695 -27.3853 -46.4649 7.80912 -33.6325 8.4768 14.8362 TIMING: 3854200 CPU: 11593.5, 0.0029746/step Wall: 11593.5, 0.0029746/step, 0.946748 hours remaining, 210.871094 MB of memory in use. ENERGY: 3854200 730.6788 2073.3214 1935.3391 112.3536 -206214.9564 17952.3106 0.0000 0.0000 34399.8814 -149011.0715 300.4227 -183410.9528 -148910.2808 298.7268 17.9557 46.0766 558546.6285 -9.6403 -9.7281 PRESSURE: 3854400 -221.596 -37.6382 -3.53539 -37.6392 -233.238 71.2067 -3.53488 71.2072 -183.907 GPRESSURE: 3854400 -269.257 -53.2093 -64.1584 -108.477 -142.908 62.3372 67.7284 66.2159 -123.007 PRESSAVG: 3854400 40.9621 -66.9931 48.5321 -66.993 0.18376 -8.86638 48.5322 -8.86629 -11.6198 GPRESSAVG: 3854400 40.7526 -64.2169 49.3397 -66.5707 0.206822 -7.61427 47.522 -10.1046 -11.2442 TIMING: 3854400 CPU: 11594.1, 0.00298418/step Wall: 11594.1, 0.00298418/step, 0.949633 hours remaining, 210.871094 MB of memory in use. ENERGY: 3854400 741.9715 2019.5407 1928.2429 107.8665 -205328.5560 17393.5407 0.0000 0.0000 34133.9640 -149003.4296 298.1004 -183137.3936 -148905.8869 299.1292 -212.9135 -178.3907 560791.7193 9.8420 9.9051 PRESSURE: 3854600 61.4141 235.457 232.744 235.455 47.6594 -55.0333 232.746 -55.0323 291.692 GPRESSURE: 3854600 132.169 220.836 189.509 195.844 109.918 -16.0308 176.9 -61.959 251.815 PRESSAVG: 3854600 -22.5924 -75.9606 59.634 -75.9607 -11.0752 -9.07383 59.6339 -9.07386 36.5279 GPRESSAVG: 3854600 -22.4087 -76.1718 58.0913 -77.7518 -11.3718 -9.41785 61.5228 -6.89922 36.3863 TIMING: 3854600 CPU: 11594.7, 0.00300006/step Wall: 11594.7, 0.00300006/step, 0.954519 hours remaining, 210.871094 MB of memory in use. ENERGY: 3854600 744.7631 2095.7739 1927.7589 111.4345 -206142.6279 18080.3169 0.0000 0.0000 34119.0747 -149063.5059 297.9704 -183182.5806 -148971.6218 299.2866 133.5885 164.6340 557331.6582 0.9534 0.8686 PRESSURE: 3854800 -181.816 -209.926 -39.7634 -209.928 -85.0701 141.682 -39.7645 141.683 -89.4876 GPRESSURE: 3854800 -165.11 -223.294 -45.0488 -226.868 -42.8543 121.869 -10.179 93.8193 -53.4193 PRESSAVG: 3854800 8.72441 81.7416 44.4589 81.7417 33.0333 -35.2476 44.4588 -35.2476 31.6218 GPRESSAVG: 3854800 9.24084 80.2243 46.7424 83.1359 31.9619 -37.0272 44.0142 -35.3251 32.3726 TIMING: 3854800 CPU: 11595.3, 0.00301816/step Wall: 11595.3, 0.00301816/step, 0.960111 hours remaining, 210.871094 MB of memory in use. ENERGY: 3854800 734.1198 2059.1574 1916.7765 119.5110 -205758.2734 17744.1932 0.0000 0.0000 34173.4513 -149011.0642 298.4452 -183184.5154 -148918.9739 299.4877 -118.7912 -87.1279 560486.6181 24.4598 24.5251 PRESSURE: 3855000 -410.423 -40.9627 -77.6655 -40.9625 -254.122 24.993 -77.6664 24.9922 -70.7544 GPRESSURE: 3855000 -364.635 -48.4636 -65.0721 -72.3998 -204.201 39.1527 -122.079 -9.72102 -70.1397 PRESSAVG: 3855000 -70.4028 -26.9086 1.55671 -26.9086 54.7004 13.3927 1.55679 13.3927 17.4481 GPRESSAVG: 3855000 -70.8585 -25.665 0.368648 -26.1038 55.8274 12.8299 1.16196 10.7548 16.6477 TIMING: 3855000 CPU: 11595.9, 0.00302687/step Wall: 11595.9, 0.00302687/step, 0.962713 hours remaining, 210.871094 MB of memory in use. ENERGY: 3855000 727.8951 2093.8183 1946.1668 123.1455 -205532.1608 17444.3272 0.0000 0.0000 34168.8567 -149027.9512 298.4051 -183196.8079 -148941.4879 300.1095 -245.0999 -212.9920 558407.8723 0.5819 0.5389 PRESSURE: 3855200 -193.215 10.613 -2.43376 10.6135 -16.8721 157.576 -2.43639 157.574 67.4509 GPRESSURE: 3855200 -126.303 -21.4191 89.4609 70.5333 27.984 198.295 -71.9454 77.7977 50.9733 PRESSAVG: 3855200 -88.9789 -2.90757 -31.3795 -2.90764 9.67106 -11.8645 -31.3796 -11.8647 79.739 GPRESSAVG: 3855200 -89.1167 -5.41225 -30.1214 -2.19362 10.3679 -10.2388 -29.6409 -10.2476 79.0968 TIMING: 3855200 CPU: 11596.5, 0.00298938/step Wall: 11596.5, 0.00298938/step, 0.950621 hours remaining, 210.871094 MB of memory in use. ENERGY: 3855200 711.6067 2128.3913 1982.9504 108.4115 -205785.0282 17591.3378 0.0000 0.0000 34070.9020 -149191.4285 297.5497 -183262.3305 -149100.3492 299.7529 -47.5455 -15.7819 557758.3556 0.1437 0.1160 PRESSURE: 3855400 -73.1406 -93.1092 18.1554 -93.1091 -200.883 -226.624 18.1547 -226.625 -29.2242 GPRESSURE: 3855400 -87.9109 -130.149 2.16821 -57.1441 -121.971 -236.966 -43.6635 -209.772 -0.571229 PRESSAVG: 3855400 -8.07438 -34.2626 10.4763 -34.2625 -4.14435 -58.5542 10.4764 -58.5541 62.9642 GPRESSAVG: 3855400 -7.87156 -32.4352 7.80064 -34.2447 -5.17916 -60.0834 10.7021 -57.8078 64.2984 TIMING: 3855400 CPU: 11597.2, 0.00302067/step Wall: 11597.2, 0.00302067/step, 0.960405 hours remaining, 210.871094 MB of memory in use. ENERGY: 3855400 742.1625 2052.3331 1947.7175 110.5242 -206041.8391 17618.0407 0.0000 0.0000 34585.8820 -148985.1791 302.0471 -183571.0611 -148886.1891 299.9242 -101.0825 -70.1511 556958.6668 16.9152 17.0826 PRESSURE: 3855600 111.122 205.399 106.176 205.399 -51.1816 120.428 106.175 120.429 -51.2073 GPRESSURE: 3855600 160.038 133.83 105.8 242.383 -49.6364 186.728 33.1056 133.08 -14.459 PRESSAVG: 3855600 -78.9965 30.3049 -5.52154 30.3048 -1.93955 -26.5719 -5.52152 -26.5719 70.684 GPRESSAVG: 3855600 -78.5727 30.3087 -3.61548 29.1327 -2.33338 -25.5563 -6.37265 -27.415 70.2188 TIMING: 3855600 CPU: 11597.8, 0.00301936/step Wall: 11597.8, 0.00301936/step, 0.95982 hours remaining, 210.871094 MB of memory in use. ENERGY: 3855600 709.8728 2115.0359 1948.6177 114.6249 -205887.2676 17695.3875 0.0000 0.0000 34243.4594 -149060.2694 299.0566 -183303.7288 -148967.3478 300.3033 2.9109 31.9810 556794.9868 -3.4173 -3.5624 PRESSURE: 3855800 -65.0548 118.753 -21.4924 118.753 -96.1775 21.0257 -21.493 21.0257 131.083 GPRESSURE: 3855800 6.96039 26.9834 18.9473 127.908 -75.0551 50.0423 29.2433 -22.6832 139.292 PRESSAVG: 3855800 -31.8541 -19.1312 72.3065 -19.1311 -21.3492 23.3036 72.3064 23.3037 104.812 GPRESSAVG: 3855800 -31.9824 -20.6382 74.5255 -18.5937 -21.0106 23.5604 71.546 24.4398 104.172 TIMING: 3855800 CPU: 11598.4, 0.0030112/step Wall: 11598.4, 0.0030112/step, 0.957061 hours remaining, 210.871094 MB of memory in use. ENERGY: 3855800 730.9047 2064.9481 1930.9997 111.3767 -205923.5683 17804.2995 0.0000 0.0000 34033.8651 -149247.1746 297.2262 -183281.0397 -149157.9656 299.8373 -10.0499 23.7325 557814.1479 17.2028 17.0596 PRESSURE: 3856000 -19.2939 107.608 -21.0011 107.608 154.978 -35.2499 -21.0015 -35.2509 -209.657 GPRESSURE: 3856000 65.1661 114.798 58.4728 75.5752 163.885 -37.0298 -28.596 -28.6098 -221.96 PRESSAVG: 3856000 -24.6216 7.1177 3.6086 7.11772 -16.145 -10.2243 3.6086 -10.2242 54.4579 GPRESSAVG: 3856000 -24.2972 7.73903 2.33048 7.20594 -17.1817 -10.5381 2.11016 -11.1018 54.7557 TIMING: 3856000 CPU: 11599, 0.00300928/step Wall: 11599, 0.00300928/step, 0.956283 hours remaining, 210.871094 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: 3856000 752.7793 2064.3616 1945.7477 111.3454 -206074.2809 17773.4403 0.0000 0.0000 34320.8641 -149105.7426 299.7326 -183426.6067 -149009.0885 299.1749 -24.6577 2.3636 557161.4804 4.5638 4.4256 PRESSURE: 3856200 -75.7968 66.1992 -175.709 66.199 -57.4523 126.232 -175.708 126.232 158.552 GPRESSURE: 3856200 -57.3189 82.8298 -126.559 45.9817 -29.0024 136.873 -141.682 72.4896 195.734 PRESSAVG: 3856200 1.41355 47.5905 9.91495 47.5905 0.754686 -45.1375 9.91502 -45.1375 15.1467 GPRESSAVG: 3856200 0.539 48.0574 9.86741 47.8304 1.2486 -44.3495 10.9653 -45.4326 15.9252 TIMING: 3856200 CPU: 11599.6, 0.00303534/step Wall: 11599.6, 0.00303534/step, 0.964396 hours remaining, 210.871094 MB of memory in use. ENERGY: 3856200 764.4047 2135.2389 1938.9603 108.4798 -206016.4649 17855.9524 0.0000 0.0000 34007.3431 -149206.0858 296.9946 -183213.4290 -149114.6240 298.9707 8.4342 36.4710 557647.7735 5.7716 5.9043 LDB: ============= START OF LOAD BALANCING ============== 11603.1 LDB: ============== END OF LOAD BALANCING =============== 11603.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11603.1 LDB: ============= START OF LOAD BALANCING ============== 11603.4 LDB: Largest compute 4802 load 0.027454 is 23.2% of average load 0.118311 LDB: Average compute 0.001722 is 1.5% of average load 0.118311 LDB: TIME 11603.4 LOAD: AVG 0.118311 MAX 0.214888 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.148 MB LDB: TIME 11603.4 LOAD: AVG 0.118311 MAX 0.214888 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.148 MB LDB: TIME 11603.4 LOAD: AVG 0.118311 MAX 0.214888 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.148 MB LDB: ============== END OF LOAD BALANCING =============== 11603.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11603.4 PRESSURE: 3856400 115.72 9.54686 51.3632 9.54672 84.1885 92.0453 51.3628 92.0452 308.077 GPRESSURE: 3856400 187.622 -2.96014 51.0144 54.42 134.483 77.6863 68.5092 -37.3045 291.642 PRESSAVG: 3856400 -31.8231 40.8668 20.2871 40.8668 -18.6614 8.80442 20.2871 8.80426 82.5447 GPRESSAVG: 3856400 -32.9922 41.7111 20.4832 40.1454 -18.089 9.90062 20.4318 7.52024 82.6292 TIMING: 3856400 CPU: 11600.2, 0.00308583/step Wall: 11600.2, 0.00308583/step, 0.980266 hours remaining, 210.484375 MB of memory in use. ENERGY: 3856400 741.9671 2051.5453 1932.9547 109.8014 -206513.0927 18178.1021 0.0000 0.0000 34217.6006 -149281.1215 298.8308 -183498.7221 -149191.2489 298.8667 169.3287 204.5825 557257.4205 10.6867 10.5160 PRESSURE: 3856600 58.8289 -14.9275 145.058 -14.9274 -93.9199 -20.0577 145.059 -20.0572 -139.152 GPRESSURE: 3856600 69.3214 4.30132 206.775 -64.0082 -48.8782 -64.7531 78.2998 17.1694 -86.1665 PRESSAVG: 3856600 4.92941 26.9019 65.1982 26.9018 22.3805 6.41246 65.1982 6.41245 -38.3191 GPRESSAVG: 3856600 6.63181 25.759 64.9616 26.8743 21.6395 3.8941 66.9693 8.18591 -38.915 TIMING: 3856600 CPU: 11600.8, 0.00300415/step Wall: 11600.8, 0.00300415/step, 0.95415 hours remaining, 210.742188 MB of memory in use. ENERGY: 3856600 718.1851 2160.8268 1929.2973 97.6197 -206058.1375 17624.0267 0.0000 0.0000 34290.6683 -149237.5135 299.4689 -183528.1818 -149147.5552 299.7338 -58.0809 -21.9077 557644.9444 -3.6697 -3.5479 PRESSURE: 3856800 -294.204 -52.4323 -19.972 -52.4332 6.0469 103.864 -19.9713 103.863 -245.359 GPRESSURE: 3856800 -245.706 -55.7976 -87.3446 -33.5063 -48.1543 130.916 20.238 30.4322 -145.055 PRESSAVG: 3856800 23.3798 -6.33437 -24.0774 -6.33441 1.31764 -30.6426 -24.0774 -30.6425 11.8165 GPRESSAVG: 3856800 22.4692 -7.10015 -24.6828 -5.06906 1.9833 -28.3907 -26.4175 -30.9047 12.3734 TIMING: 3856800 CPU: 11601.4, 0.00298088/step Wall: 11601.4, 0.00298088/step, 0.946596 hours remaining, 210.742188 MB of memory in use. ENERGY: 3856800 748.4440 2102.2946 1952.8058 96.8438 -205871.7458 17515.7229 0.0000 0.0000 34192.3078 -149263.3269 298.6099 -183455.6347 -149173.0048 299.2079 -177.8390 -146.3050 557543.9916 12.1713 12.2753 PRESSURE: 3857000 -181.567 50.4845 122.52 50.4844 -309.713 -45.0998 122.519 -45.1015 -214.911 GPRESSURE: 3857000 -114.015 106.525 136.68 11.1344 -270.91 -4.41761 137.209 -64.3125 -224.966 PRESSAVG: 3857000 -20.1806 -25.2959 10.0873 -25.2959 42.6498 0.364919 10.0873 0.364942 9.13643 GPRESSAVG: 3857000 -20.5935 -23.7651 12.1728 -27.4409 42.2295 1.59428 11.0428 -0.307914 9.72992 TIMING: 3857000 CPU: 11602, 0.00297758/step Wall: 11602, 0.00297758/step, 0.945381 hours remaining, 210.742188 MB of memory in use. ENERGY: 3857000 717.5976 2110.8974 1967.1417 111.3171 -205677.2275 17321.9943 0.0000 0.0000 34398.9279 -149049.3515 300.4144 -183448.2794 -148953.3574 299.2414 -235.3970 -203.2972 559628.9944 10.5352 10.4553 PRESSURE: 3857200 -142.175 -114.922 -86.1783 -114.922 58.9056 -173.442 -86.1788 -173.442 -70.3533 GPRESSURE: 3857200 -75.2429 -125.899 -39.8721 -90.1221 43.2848 -240.849 -43.2313 -154.818 -19.4468 PRESSAVG: 3857200 5.5269 2.68601 -10.2365 2.68602 -6.46384 2.61575 -10.2365 2.61572 -15.4687 GPRESSAVG: 3857200 6.45051 1.38712 -13.2819 4.61375 -6.7416 1.11771 -10.6013 3.31892 -16.2001 TIMING: 3857200 CPU: 11602.6, 0.0029877/step Wall: 11602.6, 0.0029877/step, 0.948428 hours remaining, 210.742188 MB of memory in use. ENERGY: 3857200 779.9670 2066.6383 1940.8135 130.3612 -206256.6210 17896.6920 0.0000 0.0000 34403.4339 -149038.7151 300.4537 -183442.1490 -148935.9643 299.4956 -51.2075 -17.1350 557776.7253 -5.4685 -5.4971 PRESSURE: 3857400 -73.5271 7.90602 40.7485 7.90573 -304.663 -171.079 40.7487 -171.079 -550.865 GPRESSURE: 3857400 -69.9149 -71.1497 -34.0723 116.55 -200.577 -176.491 30.152 -115.437 -566.525 PRESSAVG: 3857400 -20.3541 11.2807 -23.0751 11.2807 -27.14 14.7882 -23.0751 14.7882 47.8998 GPRESSAVG: 3857400 -22.0222 11.3144 -22.7238 11.1128 -25.7875 15.4332 -21.7625 13.125 47.106 TIMING: 3857400 CPU: 11603.2, 0.002984/step Wall: 11603.2, 0.002984/step, 0.947089 hours remaining, 210.742188 MB of memory in use. ENERGY: 3857400 756.7477 2083.1681 1969.0201 115.7559 -205779.9799 17416.8846 0.0000 0.0000 34218.1255 -149220.2780 298.8354 -183438.4035 -149114.3352 299.6324 -309.6850 -279.0055 558679.7542 0.1352 -0.2345 PRESSURE: 3857600 110.862 53.7083 31.1471 53.7085 260.491 68.166 31.1466 68.1654 112.403 GPRESSURE: 3857600 79.1527 78.4103 143.788 -33.245 300.308 81.099 57.1392 71.3421 193.825 PRESSAVG: 3857600 50.6509 50.6491 4.86908 50.6491 10.8817 -16.3438 4.86896 -16.3438 -63.6636 GPRESSAVG: 3857600 52.0819 50.4831 6.43211 49.338 9.63597 -15.9309 3.1961 -15.2407 -63.2801 TIMING: 3857600 CPU: 11603.8, 0.00300432/step Wall: 11603.8, 0.00300432/step, 0.953371 hours remaining, 210.742188 MB of memory in use. ENERGY: 3857600 727.7959 2090.9558 1948.3986 108.2881 -206203.1361 17896.2962 0.0000 0.0000 34166.2204 -149265.1811 298.3821 -183431.4015 -149175.1765 298.6002 161.2519 191.0953 556673.7503 -0.7103 -0.5207 PRESSURE: 3857800 -180.598 -40.8096 108.601 -40.8098 -136.98 42.1193 108.6 42.1207 39.7032 GPRESSURE: 3857800 -187.458 -51.0858 52.5972 -12.7008 -97.5763 -31.1531 70.1377 163.129 93.184 PRESSAVG: 3857800 38.372 6.5218 57.7335 6.52182 -23.6711 15.3506 57.7335 15.3505 40.0515 GPRESSAVG: 3857800 37.6708 5.75468 58.8292 7.09805 -23.0581 14.8267 56.2956 15.5558 39.79 TIMING: 3857800 CPU: 11604.4, 0.00300236/step Wall: 11604.4, 0.00300236/step, 0.952583 hours remaining, 210.742188 MB of memory in use. ENERGY: 3857800 737.8159 2040.4855 1956.4645 107.5649 -206163.4460 17658.3963 0.0000 0.0000 34305.9106 -149356.8083 299.6020 -183662.7189 -149252.4679 299.0699 -92.6247 -63.9502 556550.2310 18.2508 18.1343 PRESSURE: 3858000 -184.228 -80.2476 -8.6658 -80.248 -409.276 80.9891 -8.66518 80.9888 26.1889 GPRESSURE: 3858000 -87.571 -103.047 -3.97512 -58.2092 -359.048 116.775 -42.0522 129.892 -32.8943 PRESSAVG: 3858000 -24.9778 -53.759 51.663 -53.759 -84.3839 -47.5738 51.663 -47.5737 61.6949 GPRESSAVG: 3858000 -24.3814 -52.2437 50.3587 -53.9619 -84.8091 -47.1896 54.1679 -46.4146 62.1998 TIMING: 3858000 CPU: 11605, 0.00299807/step Wall: 11605, 0.00299807/step, 0.951055 hours remaining, 210.742188 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: 3858000 759.9628 2034.5873 1991.5722 105.5621 -206036.5690 17516.8398 0.0000 0.0000 34415.4908 -149212.5540 300.5590 -183628.0448 -149116.0298 299.4144 -189.1050 -159.8376 558087.8017 -15.8889 -15.6636 PRESSURE: 3858200 13.2609 197.925 30.3787 197.925 82.7034 174.542 30.3794 174.542 -25.0359 GPRESSURE: 3858200 75.4122 227.311 22.255 142.634 102.26 138.855 54.338 101.026 -12.1527 PRESSAVG: 3858200 -32.9972 -40.6672 16.3509 -40.6672 -74.7974 11.3105 16.351 11.3107 107.101 GPRESSAVG: 3858200 -33.3348 -39.1842 15.2499 -40.0844 -74.4914 12.222 16.1362 10.031 106.69 TIMING: 3858200 CPU: 11605.6, 0.00297239/step Wall: 11605.6, 0.00297239/step, 0.942743 hours remaining, 211.003906 MB of memory in use. ENERGY: 3858200 783.7922 2064.1317 1956.3798 104.1453 -206327.2369 17776.9414 0.0000 0.0000 34434.3205 -149207.5260 300.7235 -183641.8465 -149109.0555 300.1238 23.6428 55.1731 556146.1778 -0.2313 -0.3789 PRESSURE: 3858400 40.966 -60.4935 -147.261 -60.4928 301.844 139.842 -147.262 139.841 -5.46992 GPRESSURE: 3858400 132.088 -88.7923 -148.904 -67.9816 301.695 198.518 -149.981 99.9744 -1.55305 PRESSAVG: 3858400 -43.2747 -49.1808 26.4611 -49.1807 -9.27808 7.61441 26.4611 7.61448 43.461 GPRESSAVG: 3858400 -42.9738 -51.9155 26.7504 -49.255 -8.7128 5.37107 24.9384 9.41215 43.0884 TIMING: 3858400 CPU: 11606.2, 0.0029857/step Wall: 11606.2, 0.0029857/step, 0.946798 hours remaining, 211.003906 MB of memory in use. ENERGY: 3858400 791.9531 2064.9728 1944.3917 111.8409 -206615.9378 18234.2800 0.0000 0.0000 34238.0297 -149230.4696 299.0092 -183468.4994 -149128.4212 299.8054 112.4466 144.0765 556385.5678 -3.0306 -2.8661 PRESSURE: 3858600 53.3706 146.384 -46.6678 146.383 257.868 109.496 -46.669 109.495 222.683 GPRESSURE: 3858600 123.875 178.495 -92.8858 86.7484 266.241 50.4211 -77.311 2.46644 246.88 PRESSAVG: 3858600 9.85551 -9.37573 6.88113 -9.37567 9.18033 9.98634 6.88117 9.98636 0.82778 GPRESSAVG: 3858600 10.3462 -5.82368 6.88647 -8.6416 9.9781 12.1639 8.39469 8.08031 0.0295717 TIMING: 3858600 CPU: 11606.8, 0.00298842/step Wall: 11606.8, 0.00298842/step, 0.947496 hours remaining, 211.003906 MB of memory in use. ENERGY: 3858600 742.7315 2071.2333 1964.2958 106.8817 -206563.3726 18091.4885 0.0000 0.0000 34377.0558 -149209.6861 300.2234 -183586.7419 -149112.1566 299.3071 177.9742 212.3317 557141.3472 6.6212 6.7846 PRESSURE: 3858800 -230.881 39.8283 -31.7452 39.8287 85.143 94.8338 -31.7453 94.834 -79.3534 GPRESSURE: 3858800 -231.128 57.1709 4.29551 52.1744 105.75 13.8288 -6.66762 159.053 0.481663 PRESSAVG: 3858800 -62.006 2.70394 -34.2837 2.704 -4.94053 14.295 -34.2837 14.295 95.3014 GPRESSAVG: 3858800 -63.0261 1.31856 -32.5244 0.955761 -6.12528 14.0864 -35.6677 15.0783 97.6471 TIMING: 3858800 CPU: 11607.4, 0.00296873/step Wall: 11607.4, 0.00296873/step, 0.941086 hours remaining, 211.003906 MB of memory in use. ENERGY: 3858800 707.5958 2032.1890 1970.0251 110.1788 -206208.0815 17732.2141 0.0000 0.0000 34367.1461 -149288.7326 300.1368 -183655.8787 -149195.8863 300.0296 -75.0305 -41.6321 558413.2473 9.4516 9.4986 PRESSURE: 3859000 63.6589 -63.242 -71.9018 -63.2414 -122.948 -67.7501 -71.9021 -67.7506 87.4953 GPRESSURE: 3859000 67.1935 -35.8979 -45.0289 -123.876 -73.4939 -65.5714 -86.5794 -84.7493 123.264 PRESSAVG: 3859000 -22.2799 -4.69805 -6.65021 -4.69811 -23.4586 18.6489 -6.65005 18.6488 41.5436 GPRESSAVG: 3859000 -21.8189 -6.32264 -6.81986 -2.97357 -22.8974 19.2924 -6.66251 17.0633 40.3466 TIMING: 3859000 CPU: 11608, 0.00298665/step Wall: 11608, 0.00298665/step, 0.946601 hours remaining, 211.003906 MB of memory in use. ENERGY: 3859000 747.1324 2064.2759 1918.9720 112.7813 -206538.5678 17959.6112 0.0000 0.0000 34225.4154 -149510.3797 298.8991 -183735.7951 -149412.4297 298.9639 9.4021 38.9879 557936.9346 -1.3983 -1.4566 PRESSURE: 3859200 -188.774 82.2872 19.6177 82.2877 -47.541 108.236 19.618 108.235 84.6981 GPRESSURE: 3859200 -174.63 104.868 94.1928 92.3727 -16.8218 141.792 -71.0477 64.5545 121.502 PRESSAVG: 3859200 24.705 5.65112 -9.20593 5.65119 -86.0248 5.25881 -9.20593 5.25887 49.5324 GPRESSAVG: 3859200 26.3721 6.81327 -8.64508 6.42965 -87.6279 6.77807 -8.30583 4.88734 49.3845 TIMING: 3859200 CPU: 11608.5, 0.00296563/step Wall: 11608.5, 0.00296563/step, 0.939776 hours remaining, 211.003906 MB of memory in use. ENERGY: 3859200 757.8427 2109.7358 1913.8590 111.2287 -206478.0117 17850.8747 0.0000 0.0000 34227.3324 -149507.1385 298.9158 -183734.4709 -149412.2454 298.1614 -50.5388 -23.3163 557599.2590 -3.9291 -3.9571 PRESSURE: 3859400 -44.7887 -36.3783 166.704 -36.3786 256.382 -0.0934391 166.706 -0.0932016 126.431 GPRESSURE: 3859400 30.3527 -16.7652 195.805 -37.029 291.105 -130.943 101.443 2.94736 124.229 PRESSAVG: 3859400 -27.7698 4.25599 45.9356 4.25596 53.4287 25.622 45.9356 25.622 -40.993 GPRESSAVG: 3859400 -29.4714 4.4657 45.7581 2.39051 55.3951 22.0458 44.8378 28.1105 -40.9799 TIMING: 3859400 CPU: 11609.1, 0.00296213/step Wall: 11609.1, 0.00296213/step, 0.938502 hours remaining, 211.238281 MB of memory in use. ENERGY: 3859400 696.9027 2069.9804 1929.8062 113.3339 -206347.4271 18009.6109 0.0000 0.0000 34138.4385 -149389.3546 298.1395 -183527.7931 -149296.1523 298.0304 112.6748 148.5621 556223.5245 -5.1114 -5.0188 PRESSURE: 3859600 -267.234 -155.619 -73.5294 -155.62 -25.6697 -189.356 -73.5282 -189.357 129.354 GPRESSURE: 3859600 -211.496 -161.087 -113.343 -39.8247 15.8462 -102.639 -102.357 -225.103 136.267 PRESSAVG: 3859600 -34.4839 -8.61608 -50.5829 -8.61616 66.1469 -78.2892 -50.583 -78.2891 -37.51 GPRESSAVG: 3859600 -34.6607 -9.70204 -50.7876 -6.08437 65.7993 -76.1274 -50.7005 -80.559 -36.6017 TIMING: 3859600 CPU: 11609.7, 0.00297356/step Wall: 11609.7, 0.00297356/step, 0.941958 hours remaining, 211.238281 MB of memory in use. ENERGY: 3859600 752.7026 2072.0886 1939.8902 117.2673 -206360.1163 17716.2150 0.0000 0.0000 34392.1372 -149369.8154 300.3551 -183761.9526 -149280.9143 299.0263 -54.5165 -19.7944 557233.1540 -1.9490 -1.8210 PRESSURE: 3859800 -146.508 94.2609 -108.415 94.2613 -179.487 84.5369 -108.414 84.5354 288.596 GPRESSURE: 3859800 -121.899 50.377 -131.209 145.989 -137.08 115.144 -20.094 213.702 327.328 PRESSAVG: 3859800 -20.8297 -16.3005 -21.5896 -16.3006 21.2995 -45.1101 -21.5895 -45.11 -42.3643 GPRESSAVG: 3859800 -20.7934 -18.6365 -22.7367 -16.4773 20.8947 -46.7741 -19.8117 -43.1172 -42.1936 TIMING: 3859800 CPU: 11610.3, 0.00298628/step Wall: 11610.3, 0.00298628/step, 0.945823 hours remaining, 211.238281 MB of memory in use. ENERGY: 3859800 749.3331 2065.0271 1923.5778 105.6267 -206426.6181 17934.1110 0.0000 0.0000 34196.5300 -149452.4123 298.6468 -183648.9423 -149360.3994 298.4775 -12.4662 22.7828 557499.3027 -13.9648 -14.0308 PRESSURE: 3860000 -161.767 -33.8089 30.2213 -33.8101 -191.223 -29.1732 30.221 -29.173 -108.461 GPRESSURE: 3860000 -109.07 7.01078 92.7523 -57.4477 -169.054 -122.082 46.1318 54.0463 -83.7764 PRESSAVG: 3860000 -42.0016 -33.8194 42.1957 -33.8195 38.3987 1.95093 42.1957 1.95093 56.0379 GPRESSAVG: 3860000 -41.5159 -30.9219 42.8743 -35.5247 38.3658 3.92356 42.0059 -0.17597 55.4844 TIMING: 3860000 CPU: 11610.9, 0.00298412/step Wall: 11610.9, 0.00298412/step, 0.944971 hours remaining, 211.238281 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: 3860000 731.8068 2137.7202 1929.7254 108.6663 -206072.0453 17578.0625 0.0000 0.0000 34154.5704 -149431.4937 298.2804 -183586.0641 -149343.4649 299.0244 -153.8170 -120.6335 557211.8926 17.4783 17.4448 PRESSURE: 3860200 9.21967 -69.5692 39.1598 -69.569 -103.272 60.6827 39.1596 60.683 -113.349 GPRESSURE: 3860200 19.1869 -137.033 7.87476 -114.924 -80.3857 91.6107 5.7773 -12.1485 -55.8442 PRESSAVG: 3860200 -111.352 8.03646 -86.011 8.03636 78.8054 14.7996 -86.0111 14.7995 64.5276 GPRESSAVG: 3860200 -112.274 5.26458 -86.5052 9.15139 78.6721 14.8979 -85.1979 14.9506 65.7451 TIMING: 3860200 CPU: 11611.5, 0.00296001/step Wall: 11611.5, 0.00296001/step, 0.937172 hours remaining, 211.238281 MB of memory in use. ENERGY: 3860200 746.5868 2064.1177 1938.8876 100.7502 -206179.1914 17750.2776 0.0000 0.0000 34242.1493 -149336.4223 299.0452 -183578.5716 -149236.9525 299.0608 -69.1335 -39.0143 557189.0279 10.6605 10.7143 LDB: ============= START OF LOAD BALANCING ============== 11615 LDB: ============== END OF LOAD BALANCING =============== 11615 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11615 LDB: ============= START OF LOAD BALANCING ============== 11615.3 LDB: Largest compute 4802 load 0.029613 is 25.0% of average load 0.118284 LDB: Average compute 0.001725 is 1.5% of average load 0.118284 LDB: TIME 11615.3 LOAD: AVG 0.118284 MAX 0.212594 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 11615.3 LOAD: AVG 0.118284 MAX 0.212594 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: TIME 11615.3 LOAD: AVG 0.118284 MAX 0.212594 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: ============== END OF LOAD BALANCING =============== 11615.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11615.3 PRESSURE: 3860400 44.6307 -37.4269 6.21143 -37.4266 -252.997 91.3279 6.21232 91.3283 -60.6514 GPRESSURE: 3860400 -15.6437 54.3203 -7.87232 -20.6185 -225.371 83.2415 44.2558 66.7374 54.3111 PRESSAVG: 3860400 36.5004 -49.0966 -50.6792 -49.0967 44.396 -13.7387 -50.6793 -13.7387 -51.5262 GPRESSAVG: 3860400 35.8629 -44.7 -49.8087 -50.2229 44.8911 -14.1387 -51.4045 -12.8819 -51.9714 TIMING: 3860400 CPU: 11612.1, 0.00306083/step Wall: 11612.1, 0.00306083/step, 0.968923 hours remaining, 209.199219 MB of memory in use. ENERGY: 3860400 740.4211 2122.6966 1915.3951 117.9385 -205954.6488 17660.5936 0.0000 0.0000 34145.5169 -149252.0869 298.2013 -183397.6038 -149160.5275 298.8190 -89.6727 -62.2346 557595.8577 9.7901 9.5942 PRESSURE: 3860600 -187.697 -3.64103 -11.5441 -3.64064 -143.103 -347.633 -11.5429 -347.632 -127.851 GPRESSURE: 3860600 -123.468 16.5045 -49.3159 63.316 -56.1594 -274.542 85.0024 -334.11 -183.75 PRESSAVG: 3860600 -20.7166 -28.9621 -24.6924 -28.962 33.7621 -34.4613 -24.6925 -34.4613 13.76 GPRESSAVG: 3860600 -20.6179 -30.486 -23.7709 -29.1716 33.6158 -33.8025 -23.8258 -34.6232 13.8775 TIMING: 3860600 CPU: 11612.7, 0.00299871/step Wall: 11612.7, 0.00299871/step, 0.949092 hours remaining, 209.199219 MB of memory in use. ENERGY: 3860600 747.1912 2084.3536 1949.1116 104.5277 -205994.9272 17601.3322 0.0000 0.0000 34316.7735 -149191.6374 299.6969 -183508.4109 -149098.3659 298.9273 -152.8838 -121.1259 559351.7545 8.9352 8.9585 PRESSURE: 3860800 -87.8259 -9.49491 7.59677 -9.49612 -39.0392 2.79139 7.59619 2.79025 65.4042 GPRESSURE: 3860800 -89.972 -93.9594 0.595209 44.0517 -0.990767 37.4105 60.3303 -36.0465 110.88 PRESSAVG: 3860800 -52.9754 31.7825 -21.8196 31.7825 29.3546 -13.0278 -21.8196 -13.0278 12.8503 GPRESSAVG: 3860800 -51.9594 30.1731 -21.6917 33.293 27.0439 -15.2646 -22.9854 -13.7562 14.217 TIMING: 3860800 CPU: 11613.3, 0.00297024/step Wall: 11613.3, 0.00297024/step, 0.939917 hours remaining, 209.199219 MB of memory in use. ENERGY: 3860800 789.2605 2078.7405 1979.7400 116.8855 -206314.0688 17983.0917 0.0000 0.0000 34147.1230 -149219.2276 298.2153 -183366.3506 -149126.5283 299.9567 -20.4870 6.6389 557734.7073 -3.5902 -3.5662 PRESSURE: 3861000 -351.401 -1.56043 -79.4495 -1.56026 -264.782 -182.303 -79.4499 -182.303 -177.299 GPRESSURE: 3861000 -285.471 3.77316 -24.7821 87.0671 -261.011 -188.112 -156.546 -210.366 -146.145 PRESSAVG: 3861000 -9.77092 3.9617 15.5369 3.96164 -47.872 -65.8931 15.5369 -65.8931 47.9675 GPRESSAVG: 3861000 -9.95763 3.87948 15.721 4.43929 -45.5821 -64.2997 14.5833 -66.6137 46.0204 TIMING: 3861000 CPU: 11613.9, 0.00303254/step Wall: 11613.9, 0.00303254/step, 0.959461 hours remaining, 209.199219 MB of memory in use. ENERGY: 3861000 756.5115 2057.2373 1980.3216 94.6055 -205810.9436 17503.8371 0.0000 0.0000 34027.6165 -149390.8141 297.1716 -183418.4306 -149285.3120 299.0737 -264.4942 -230.8755 556940.6129 -3.2251 -3.1731 PRESSURE: 3861200 19.4912 159.973 120.856 159.973 32.3909 -254.333 120.855 -254.33 10.9755 GPRESSURE: 3861200 -8.76258 117.841 75.3729 180.844 89.6973 -299.367 107.289 -182.968 80.9654 PRESSAVG: 3861200 25.5293 -0.193001 49.5509 -0.192932 14.3294 -77.0133 49.5509 -77.0133 19.5211 GPRESSAVG: 3861200 26.0915 0.480322 49.6448 -0.244177 13.4021 -78.6632 48.8083 -72.7078 19.3607 TIMING: 3861200 CPU: 11614.5, 0.00299975/step Wall: 11614.5, 0.00299975/step, 0.948921 hours remaining, 209.199219 MB of memory in use. ENERGY: 3861200 768.6602 2028.5947 1971.2498 123.2753 -206247.6270 17814.4308 0.0000 0.0000 34046.2900 -149495.1262 297.3347 -183541.4162 -149406.5672 298.5037 20.9525 53.9667 557357.5445 19.7933 19.6181 PRESSURE: 3861400 388.79 12.0309 -14.0336 12.0313 254.849 -135.717 -14.0343 -135.715 305.671 GPRESSURE: 3861400 394.896 15.4679 -52.4295 6.53164 320.786 -133.625 48.9635 -42.0843 345.668 PRESSAVG: 3861400 -46.1051 18.0376 -11.6413 18.0376 11.71 -35.0486 -11.6414 -35.0485 -31.2132 GPRESSAVG: 3861400 -46.7496 17.9584 -12.2233 17.588 12.1063 -35.5754 -11.321 -36.6761 -30.9203 TIMING: 3861400 CPU: 11615.1, 0.00297731/step Wall: 11615.1, 0.00297731/step, 0.941657 hours remaining, 209.199219 MB of memory in use. ENERGY: 3861400 762.0220 2110.5862 1962.2589 120.1311 -207010.0851 18362.1100 0.0000 0.0000 34331.1595 -149361.8174 299.8226 -183692.9769 -149271.3655 297.9508 316.4369 353.7832 557256.9717 -21.8695 -21.8545 PRESSURE: 3861600 -115.996 56.2412 149.54 56.2418 -42.2517 66.1321 149.538 66.1312 -184.654 GPRESSURE: 3861600 -76.86 48.1056 218.774 100.228 -19.3098 50.4714 77.4341 146.093 -140.675 PRESSAVG: 3861600 26.9856 -37.2071 -56.4154 -37.2072 -37.8531 -5.98839 -56.4155 -5.98852 0.1875 GPRESSAVG: 3861600 26.9194 -36.1412 -56.9969 -38.277 -37.8652 -3.30595 -56.8569 -6.91468 0.115606 TIMING: 3861600 CPU: 11615.7, 0.00297397/step Wall: 11615.7, 0.00297397/step, 0.940434 hours remaining, 209.199219 MB of memory in use. ENERGY: 3861600 801.9264 2044.8522 1945.6612 111.5513 -206017.5597 17699.4294 0.0000 0.0000 34050.8583 -149363.2809 297.3746 -183414.1392 -149263.7468 298.9454 -114.3007 -78.9482 558928.9666 -3.5600 -3.6101 PRESSURE: 3861800 -370.047 170.986 52.8817 170.985 -167.58 38.9568 52.8815 38.9565 -248.693 GPRESSURE: 3861800 -310.222 195.374 -28.8647 206.641 -226.893 15.454 74.7276 112.686 -142.223 PRESSAVG: 3861800 54.1395 21.005 16.2682 21.0051 -75.0064 4.60925 16.2682 4.60921 13.8117 GPRESSAVG: 3861800 53.9043 19.2483 17.2601 23.1478 -75.0426 1.96618 16.8644 6.51157 13.31 TIMING: 3861800 CPU: 11616.3, 0.00300482/step Wall: 11616.3, 0.00300482/step, 0.950024 hours remaining, 209.199219 MB of memory in use. ENERGY: 3861800 750.7458 2087.1209 1931.2140 116.5378 -205871.3787 17382.5391 0.0000 0.0000 34236.5839 -149366.6371 298.9966 -183603.2211 -149265.7249 299.4750 -262.1066 -226.4461 558595.2181 -2.3517 -2.6094 PRESSURE: 3862000 -187.981 83.8983 69.1234 83.9008 202.436 -41.1671 69.1209 -41.1696 -30.2228 GPRESSURE: 3862000 -120.09 102.859 47.5762 71.9135 183.05 -53.3241 26.268 -56.7763 13.2146 PRESSAVG: 3862000 -42.3732 35.18 34.7167 35.18 -9.15202 38.0707 34.7167 38.0706 48.3649 GPRESSAVG: 3862000 -43.8212 34.4338 34.3726 35.3961 -9.16757 39.2675 35.6875 38.0384 49.1185 TIMING: 3862000 CPU: 11616.9, 0.00299189/step Wall: 11616.9, 0.00299189/step, 0.945769 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: 3862000 759.8824 2038.9985 1917.5616 114.3150 -206318.5752 17857.1146 0.0000 0.0000 34297.2827 -149333.4206 299.5267 -183630.7032 -149240.0291 298.4447 -5.2557 25.3914 557895.3441 -1.0534 -1.2901 PRESSURE: 3862200 -202.528 135.125 64.2506 135.126 -484.729 5.06068 64.252 5.0619 34.3717 GPRESSURE: 3862200 -153.887 130.897 73.8953 115.32 -440.913 76.917 40.3333 -4.87088 39.3512 PRESSAVG: 3862200 -103.98 30.6349 49.5383 30.6348 89.1343 23.3989 49.5383 23.3991 32.8107 GPRESSAVG: 3862200 -102.578 32.7549 51.1631 29.2501 88.746 23.4212 49.545 24.1643 31.7731 TIMING: 3862200 CPU: 11617.5, 0.00303122/step Wall: 11617.5, 0.00303122/step, 0.958035 hours remaining, 209.199219 MB of memory in use. ENERGY: 3862200 796.4944 2116.9257 1958.4870 131.3260 -206317.8689 17720.9473 0.0000 0.0000 34332.5067 -149261.1817 299.8343 -183593.6884 -149168.9942 298.7971 -217.6282 -185.1495 557864.4313 5.9883 5.9805 PRESSURE: 3862400 -252.526 -0.752977 111.182 -0.752433 -77.3361 -181.753 111.182 -181.754 -123.056 GPRESSURE: 3862400 -230.407 -23.2317 51.1003 22.5354 -62.824 -204.489 95.866 -180.095 -59.024 PRESSAVG: 3862400 -53.8692 45.0735 -17.6386 45.0735 -28.547 -29.9199 -17.6387 -29.9199 50.3693 GPRESSAVG: 3862400 -54.3419 45.0576 -20.894 45.5654 -28.5933 -31.4441 -16.1387 -31.0088 50.7791 TIMING: 3862400 CPU: 11618.1, 0.00299057/step Wall: 11618.1, 0.00299057/step, 0.94502 hours remaining, 209.199219 MB of memory in use. ENERGY: 3862400 750.5161 2084.5588 1914.5304 117.9097 -206278.9556 17814.0688 0.0000 0.0000 34241.8621 -149355.5097 299.0427 -183597.3717 -149260.9771 299.2239 -150.9729 -117.4183 558127.9849 -10.6823 -10.7187 PRESSURE: 3862600 -16.5848 -36.5292 -27.5525 -36.5289 -40.2516 -34.8408 -27.5519 -34.8402 36.4449 GPRESSURE: 3862600 -15.0011 -8.37712 -66.7237 -93.6904 38.6825 -4.24735 49.5725 -24.6667 43.8499 PRESSAVG: 3862600 11.3371 33.8625 41.9394 33.8626 -37.5164 3.83456 41.9395 3.83461 0.383976 GPRESSAVG: 3862600 11.9894 34.6514 44.665 31.5664 -36.8749 6.86885 41.6403 2.17966 -0.504931 TIMING: 3862600 CPU: 11618.7, 0.00299979/step Wall: 11618.7, 0.00299979/step, 0.947767 hours remaining, 209.261719 MB of memory in use. ENERGY: 3862600 743.4189 2135.3090 1955.6652 103.7408 -206288.2510 17853.5991 0.0000 0.0000 34158.6103 -149337.9077 298.3156 -183496.5180 -149250.5409 298.5796 -6.7972 22.5104 558401.4215 -8.5985 -8.4635 PRESSURE: 3862800 -155.166 -23.5343 4.75304 -23.5349 -76.5146 -100.209 4.75271 -100.21 -90.2237 GPRESSURE: 3862800 -96.0987 42.6458 -111 -4.81382 -79.3991 -79.7395 -61.1032 -91.3955 -58.6417 PRESSAVG: 3862800 3.30676 -25.3119 11.8344 -25.312 -2.30462 -3.61229 11.8344 -3.61229 -12.7826 GPRESSAVG: 3862800 2.71793 -26.2175 9.05509 -23.0813 -2.93453 -5.1346 12.6768 -2.48975 -11.4406 TIMING: 3862800 CPU: 11619.3, 0.00299612/step Wall: 11619.3, 0.00299612/step, 0.946442 hours remaining, 209.261719 MB of memory in use. ENERGY: 3862800 742.7132 2052.1206 1973.1792 111.8188 -206257.9390 17792.8231 0.0000 0.0000 34353.9895 -149231.2947 300.0219 -183585.2841 -149130.5022 299.1129 -107.3014 -78.0465 557726.6809 -3.9268 -3.8857 PRESSURE: 3863000 74.3641 37.2242 37.6124 37.2242 90.094 -8.09628 37.6125 -8.09752 26.8349 GPRESSURE: 3863000 102.903 39.4751 66.2436 61.7697 90.9125 -85.6103 -28.4825 38.2836 86.8777 PRESSAVG: 3863000 6.43845 21.475 -14.2135 21.475 -4.24908 29.0326 -14.2135 29.0328 -19.4109 GPRESSAVG: 3863000 6.62427 21.7937 -14.5985 19.5251 -3.65431 29.9576 -16.042 27.511 -20.3961 TIMING: 3863000 CPU: 11619.9, 0.00295465/step Wall: 11619.9, 0.00295465/step, 0.933176 hours remaining, 209.261719 MB of memory in use. ENERGY: 3863000 762.4580 2101.9125 1956.5931 113.2306 -206376.7434 17904.9768 0.0000 0.0000 34440.3988 -149097.1737 300.7766 -183537.5725 -148997.3369 299.3978 63.7643 93.5644 556887.8607 -5.7405 -5.8087 PRESSURE: 3863200 55.8857 85.6258 110.901 85.6266 34.3436 -144.398 110.901 -144.401 -130.286 GPRESSURE: 3863200 52.9188 73.0966 142.963 88.9779 70.1194 -145.838 121.897 -60.3329 -74.6759 PRESSAVG: 3863200 28.488 -4.73503 37.5515 -4.73494 56.3388 -1.59023 37.5514 -1.58995 -38.1563 GPRESSAVG: 3863200 28.0727 -3.81096 38.8824 -3.84524 56.414 -2.05755 38.2985 -1.32578 -37.818 TIMING: 3863200 CPU: 11620.5, 0.0030153/step Wall: 11620.5, 0.0030153/step, 0.952165 hours remaining, 209.261719 MB of memory in use. ENERGY: 3863200 726.8168 2104.3604 1965.6635 123.0573 -206274.3232 17794.7972 0.0000 0.0000 34395.2740 -149164.3540 300.3825 -183559.6280 -149065.6076 299.7434 -13.3521 16.1208 557880.7459 15.5568 15.5563 PRESSURE: 3863400 -145.296 -33.7304 68.5049 -33.7317 131.904 84.1775 68.5046 84.1773 6.56936 GPRESSURE: 3863400 -78.4381 -50.3022 -2.90555 -20.1907 85.2102 8.48174 52.1901 73.5591 80.9281 PRESSAVG: 3863400 10.8177 17.2668 6.27312 17.2669 -41.9668 39.3681 6.27313 39.368 42.6657 GPRESSAVG: 3863400 11.0498 13.6449 6.23073 19.0357 -42.1078 40.0412 5.8757 38.0507 42.2486 TIMING: 3863400 CPU: 11621.1, 0.00301745/step Wall: 11621.1, 0.00301745/step, 0.952675 hours remaining, 209.261719 MB of memory in use. ENERGY: 3863400 775.4292 2124.6248 1941.8194 99.4333 -206173.8319 17835.9776 0.0000 0.0000 34185.9122 -149210.6353 298.5541 -183396.5475 -149113.7331 299.3913 -2.2742 29.2334 558061.3922 3.8389 3.7302 PRESSURE: 3863600 -136.507 79.5082 -21.6085 79.5094 -134.673 -50.6898 -21.609 -50.6897 50.0372 GPRESSURE: 3863600 -130.306 70.0174 12.7572 33.2833 -74.3992 -60.0023 30.7607 -36.5339 103.404 PRESSAVG: 3863600 -8.44734 -0.657585 9.64736 -0.657519 -6.24244 -26.2536 9.64735 -26.2537 11.2552 GPRESSAVG: 3863600 -6.83605 0.854669 9.07301 -2.01221 -6.4553 -28.0177 9.26313 -24.2642 9.5667 TIMING: 3863600 CPU: 11621.7, 0.00296644/step Wall: 11621.7, 0.00296644/step, 0.936407 hours remaining, 209.261719 MB of memory in use. ENERGY: 3863600 708.2045 2078.1837 1946.8502 125.6820 -205947.8504 17787.3458 0.0000 0.0000 34245.5560 -149056.0282 299.0750 -183301.5842 -148963.9243 299.5586 -73.7142 -33.7671 559546.9227 -1.1449 -1.2415 PRESSURE: 3863800 -176.359 56.801 -9.6892 56.7996 51.9839 -215.237 -9.68912 -215.237 -117.952 GPRESSURE: 3863800 -103.538 34.0894 15.7097 65.9609 39.0784 -160.412 -2.46423 -362.674 -90.0152 PRESSAVG: 3863800 -63.0824 1.99631 40.0523 1.99628 88.5876 -16.31 40.0524 -16.31 -13.582 GPRESSAVG: 3863800 -64.5409 0.951195 41.1983 3.02251 88.8219 -16.222 41.7418 -18.2096 -12.1409 TIMING: 3863800 CPU: 11622.3, 0.00298605/step Wall: 11622.3, 0.00298605/step, 0.94243 hours remaining, 209.261719 MB of memory in use. ENERGY: 3863800 745.0577 2079.8224 1922.8575 99.7463 -205800.8862 17575.6112 0.0000 0.0000 34427.2772 -148950.5139 300.6620 -183377.7911 -148856.6926 299.6911 -80.7757 -51.4916 558217.7083 3.9744 4.0467 PRESSURE: 3864000 131.817 -64.6392 100.01 -64.6392 -131.747 -22.5456 100.01 -22.5441 38.0399 GPRESSURE: 3864000 113.775 -58.2858 115.378 -169.415 -76.1365 -37.4844 144.164 -51.4476 80.1962 PRESSAVG: 3864000 -55.363 27.4452 -14.5601 27.4452 59.7995 -66.8835 -14.5601 -66.8835 -21.4916 GPRESSAVG: 3864000 -55.7222 28.7491 -14.6138 26.8553 59.4954 -65.4955 -15.3023 -65.6215 -21.0396 TIMING: 3864000 CPU: 11622.9, 0.00300814/step Wall: 11622.9, 0.00300814/step, 0.949234 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: 3864000 781.9417 2066.0306 1952.7028 120.4059 -205989.0687 17923.5165 0.0000 0.0000 34052.4657 -149092.0054 297.3887 -183144.4711 -148990.5682 299.7650 12.7032 39.2782 557935.0821 -5.6850 -5.7554 PRESSURE: 3864200 176.695 55.6351 1.14782 55.6355 25.3472 -2.8935 1.1483 -2.89346 -80.9607 GPRESSURE: 3864200 195.583 28.2789 -48.8443 165.838 77.8434 47.893 72.4423 -89.2129 -66.2758 PRESSAVG: 3864200 -50.8961 28.9608 19.7988 28.9608 30.6486 -24.7859 19.7988 -24.7861 46.7117 GPRESSAVG: 3864200 -51.6959 29.02 17.3225 29.105 30.5956 -23.743 19.2051 -24.1543 47.2712 TIMING: 3864200 CPU: 11623.5, 0.00299157/step Wall: 11623.5, 0.00299157/step, 0.943841 hours remaining, 209.261719 MB of memory in use. ENERGY: 3864200 725.7085 2074.0776 1941.9978 100.3652 -206055.5575 17797.9865 0.0000 0.0000 34406.7372 -149008.6847 300.4826 -183415.4219 -148911.5097 300.0422 40.3606 69.0502 558382.3919 8.8214 8.7236 LDB: ============= START OF LOAD BALANCING ============== 11627 LDB: ============== END OF LOAD BALANCING =============== 11627 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11627 LDB: ============= START OF LOAD BALANCING ============== 11627.3 LDB: Largest compute 4802 load 0.030134 is 25.5% of average load 0.118309 LDB: Average compute 0.001728 is 1.5% of average load 0.118309 LDB: TIME 11627.3 LOAD: AVG 0.118309 MAX 0.210829 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.438 MB LDB: TIME 11627.3 LOAD: AVG 0.118309 MAX 0.210829 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.641 MB LDB: TIME 11627.3 LOAD: AVG 0.118309 MAX 0.210829 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.641 MB LDB: ============== END OF LOAD BALANCING =============== 11627.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11627.3 PRESSURE: 3864400 -0.0830906 -24.5033 229.35 -24.5028 105.978 94.7486 229.35 94.7485 -453.79 GPRESSURE: 3864400 36.7471 -10.9065 178.389 24.7779 38.9641 79.0314 308.83 155.586 -325.192 PRESSAVG: 3864400 -46.305 -35.1265 -12.3181 -35.1265 63.6014 7.39399 -12.3181 7.39406 -39.5392 GPRESSAVG: 3864400 -45.3456 -35.2276 -10.5873 -36.2309 63.1862 7.10932 -12.5485 5.78492 -39.9526 TIMING: 3864400 CPU: 11624.1, 0.00303159/step Wall: 11624.1, 0.00303159/step, 0.956297 hours remaining, 209.257812 MB of memory in use. ENERGY: 3864400 728.1559 2068.3009 1935.0116 104.0634 -205828.4645 17592.3842 0.0000 0.0000 34302.5545 -149097.9940 299.5727 -183400.5486 -148995.1420 300.0478 -115.9651 -83.1604 559068.0148 -7.4143 -7.3706 PRESSURE: 3864600 -341.754 -35.5012 -7.43281 -35.5016 -52.5946 -3.64422 -7.43301 -3.64483 35.3581 GPRESSURE: 3864600 -287.586 22.1125 -6.14337 -64.4471 -17.7998 -27.9646 -18.44 -6.40791 46.8404 PRESSAVG: 3864600 -53.3133 8.09453 -34.7817 8.09457 71.3556 10.1168 -34.7817 10.1167 12.3865 GPRESSAVG: 3864600 -52.8634 7.57755 -34.8764 9.31618 71.0126 9.5959 -33.0167 11.736 12.6092 TIMING: 3864600 CPU: 11624.7, 0.00298818/step Wall: 11624.7, 0.00298818/step, 0.94244 hours remaining, 209.460938 MB of memory in use. ENERGY: 3864600 765.4201 2070.0948 1931.2736 106.3400 -205866.7256 17694.9426 0.0000 0.0000 34115.5584 -149183.0962 297.9397 -183298.6545 -149084.9109 299.3467 -119.6635 -86.1818 559596.8496 10.1430 10.2528 PRESSURE: 3864800 388.045 -21.5042 215.166 -21.5044 157.886 -29.7801 215.165 -29.7799 65.871 GPRESSURE: 3864800 378.084 -78.1306 245.751 -33.3859 201.183 -31.1382 253.983 46.4493 123.887 PRESSAVG: 3864800 -77.1374 -71.4197 -7.41255 -71.4196 -19.3826 24.3579 -7.41257 24.3579 32.2144 GPRESSAVG: 3864800 -77.981 -71.7862 -9.18139 -72.245 -19.4407 21.8649 -8.45042 26.6472 33.2938 TIMING: 3864800 CPU: 11625.3, 0.00300655/step Wall: 11625.3, 0.00300655/step, 0.948066 hours remaining, 209.460938 MB of memory in use. ENERGY: 3864800 763.2154 2009.9229 1942.0691 109.4531 -206785.9832 18344.4688 0.0000 0.0000 34418.6139 -149198.2399 300.5863 -183616.8538 -149100.9075 299.3931 203.9342 234.3846 556702.1653 -21.4352 -21.3760 PRESSURE: 3865000 -53.4692 2.33586 61.1548 2.33604 -194.288 -109.63 61.1547 -109.631 136.929 GPRESSURE: 3865000 -32.8401 -15.4915 -67.3605 -56.5188 -108.138 -113.013 119.597 -79.2659 125.155 PRESSAVG: 3865000 21.8787 -15.2941 20.518 -15.2942 4.91337 -29.6507 20.518 -29.6506 20.495 GPRESSAVG: 3865000 20.7087 -14.6541 20.7885 -15.1235 6.66976 -27.8352 19.3401 -30.998 19.8453 TIMING: 3865000 CPU: 11625.9, 0.00302705/step Wall: 11625.9, 0.00302705/step, 0.954361 hours remaining, 209.460938 MB of memory in use. ENERGY: 3865000 729.1766 2088.0065 1950.6687 113.5493 -205990.3650 17628.1181 0.0000 0.0000 34379.2102 -149101.6356 300.2422 -183480.8458 -149004.7367 300.2071 -36.9425 -5.2743 556809.5652 15.7624 15.7412 PRESSURE: 3865200 -195.07 68.7966 -44.3784 68.7966 -378.204 17.2827 -44.3768 17.2843 -128.609 GPRESSURE: 3865200 -184.052 60.6389 -42.6381 23.9623 -298.787 50.428 -17.064 -37.7488 -114.812 PRESSAVG: 3865200 -0.0309539 41.3162 6.30425 41.3161 -24.9813 -14.2528 6.30422 -14.2527 64.3485 GPRESSAVG: 3865200 0.819207 41.2459 8.17481 40.3608 -24.8343 -13.4534 7.83972 -14.7463 63.0917 TIMING: 3865200 CPU: 11626.5, 0.00301035/step Wall: 11626.5, 0.00301035/step, 0.948929 hours remaining, 209.460938 MB of memory in use. ENERGY: 3865200 787.2968 2071.8473 1932.1977 116.4569 -206435.4723 17757.2086 0.0000 0.0000 34518.8859 -149251.5790 301.4620 -183770.4649 -149157.0259 300.4072 -233.9611 -199.2171 557935.9667 13.1121 13.0256 PRESSURE: 3865400 -54.33 -146.016 155.565 -146.014 97.1213 127.858 155.565 127.86 66.9059 GPRESSURE: 3865400 -30.9954 -67.0447 72.0404 -182.094 137.653 132.121 83.7158 90.1231 107.685 PRESSAVG: 3865400 -28.7713 -21.5423 -32.4563 -21.5423 6.09172 1.4277 -32.4564 1.42776 38.3393 GPRESSAVG: 3865400 -29.1105 -22.0552 -31.3414 -22.2074 5.70145 -1.34776 -34.1961 3.21114 38.5308 TIMING: 3865400 CPU: 11627.1, 0.00298384/step Wall: 11627.1, 0.00298384/step, 0.940406 hours remaining, 209.460938 MB of memory in use. ENERGY: 3865400 746.9855 2113.9192 1960.9496 109.8743 -206431.4618 18072.9670 0.0000 0.0000 34175.0302 -149251.7360 298.4590 -183426.7662 -149151.6167 299.6014 36.5657 71.4476 557867.1279 5.2199 5.0406 PRESSURE: 3865600 -337.781 -129.268 -143.692 -129.267 -260.563 -94.7718 -143.693 -94.7711 97.9456 GPRESSURE: 3865600 -330.684 -170.03 -151.458 -20.9041 -182.414 -158.812 -100.548 -96.0641 94.5038 PRESSAVG: 3865600 7.97877 15.6847 -7.57882 15.6847 -13.1225 2.56623 -7.57877 2.56628 13.3572 GPRESSAVG: 3865600 7.68503 15.6535 -8.49741 15.9497 -13.8343 4.8771 -5.34753 0.12275 13.778 TIMING: 3865600 CPU: 11627.7, 0.00299706/step Wall: 11627.7, 0.00299706/step, 0.944408 hours remaining, 209.460938 MB of memory in use. ENERGY: 3865600 744.1838 2117.3713 1914.2229 108.9241 -205984.6342 17658.3629 0.0000 0.0000 34098.3986 -149343.1705 297.7898 -183441.5691 -149247.9670 299.1588 -166.7995 -139.5312 558616.5005 2.7378 2.5429 PRESSURE: 3865800 17.1435 37.1434 208.166 37.1427 -109.576 -1.66533 208.165 -1.66357 277.724 GPRESSURE: 3865800 -39.8669 22.4219 225.682 87.3349 -94.5164 -0.367077 224.373 -45.2596 400.972 PRESSAVG: 3865800 -9.84778 -34.2173 91.1553 -34.2171 17.4661 -47.0105 91.1553 -47.0105 -18.2342 GPRESSAVG: 3865800 -10.0319 -32.9392 90.1096 -34.5747 16.145 -49.8411 91.0468 -44.4243 -16.8799 TIMING: 3865800 CPU: 11628.3, 0.0030375/step Wall: 11628.3, 0.0030375/step, 0.956982 hours remaining, 209.460938 MB of memory in use. ENERGY: 3865800 754.3657 2059.9765 1949.6703 108.1720 -206251.6918 17954.3064 0.0000 0.0000 34203.6206 -149221.5803 298.7087 -183425.2009 -149124.5889 299.6816 61.7641 88.8630 556021.6723 -3.5386 -3.5889 PRESSURE: 3866000 63.7194 58.6895 5.66483 58.6905 -174.117 149.917 5.66417 149.915 -8.64881 GPRESSURE: 3866000 53.9459 4.54862 -49.431 95.2827 -138.098 81.2932 44.8384 226.91 66.7084 PRESSAVG: 3866000 12.0488 2.7053 19.2334 2.70544 34.7788 -42.072 19.2333 -42.072 -15.4479 GPRESSAVG: 3866000 11.9891 2.08942 18.7656 3.41962 35.2526 -38.2418 17.466 -44.8824 -15.8777 TIMING: 3866000 CPU: 11628.9, 0.00303223/step Wall: 11628.9, 0.00303223/step, 0.955152 hours remaining, 209.664062 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: 3866000 714.1053 2099.6701 1931.3970 110.0380 -205699.0149 17511.2857 0.0000 0.0000 34182.2454 -149150.2734 298.5221 -183332.5188 -149048.0517 299.4553 -39.6821 -5.8145 557175.9764 10.4599 10.4547 PRESSURE: 3866200 -179.483 50.8902 2.59583 50.8913 -171.065 -69.3657 2.59481 -69.367 -144.13 GPRESSURE: 3866200 -191.105 61.2939 23.1393 47.0507 -97.6042 -94.9709 28.5027 -112.116 -109.927 PRESSAVG: 3866200 35.2032 -10.9903 3.50237 -10.9903 11.3775 -10.4118 3.50247 -10.4119 -14.5912 GPRESSAVG: 3866200 35.3449 -9.67513 4.64732 -12.1623 10.8895 -12.9521 3.64359 -9.65404 -15.0955 TIMING: 3866200 CPU: 11629.5, 0.00297631/step Wall: 11629.5, 0.00297631/step, 0.937371 hours remaining, 209.664062 MB of memory in use. ENERGY: 3866200 714.3070 2076.9912 1906.6396 98.8796 -205948.4138 17455.3902 0.0000 0.0000 34540.5564 -149155.6498 301.6513 -183696.2062 -149061.9959 299.5440 -164.8924 -132.8786 557026.5973 10.6632 10.3797 PRESSURE: 3866400 -66.0386 62.598 131.386 62.5986 247.004 -107.839 131.386 -107.837 -129.003 GPRESSURE: 3866400 -10.0808 73.0367 79.9078 24.8742 264.352 -36.5258 122.714 -91.5866 -98.828 PRESSAVG: 3866400 21.4993 18.5964 9.96167 18.5964 52.9634 20.5382 9.96166 20.5382 -63.6249 GPRESSAVG: 3866400 21.66 16.1327 9.70652 18.8187 53.5159 20.4 10.9756 22.2503 -64.7713 TIMING: 3866400 CPU: 11630.1, 0.00300003/step Wall: 11630.1, 0.00300003/step, 0.944675 hours remaining, 209.664062 MB of memory in use. ENERGY: 3866400 753.5256 2045.2577 1938.9566 107.7402 -205905.2797 17771.3179 0.0000 0.0000 34046.7997 -149241.6821 297.3392 -183288.4818 -149142.9703 300.3201 17.3209 51.8145 556731.7012 3.6126 3.4682 PRESSURE: 3866600 136.328 90.0035 64.0133 90.0047 -314.569 -5.98049 64.0138 -5.97915 -191.595 GPRESSURE: 3866600 156.742 125.664 48.0297 42.5691 -256.41 -2.24146 -27.6079 3.50316 -169.118 PRESSAVG: 3866600 107.637 62.2261 30.8071 62.226 -98.2949 9.0145 30.8071 9.01443 -12.6152 GPRESSAVG: 3866600 108.011 63.6777 31.0035 62.1639 -99.1989 9.41424 31.762 7.61146 -12.5003 TIMING: 3866600 CPU: 11630.7, 0.00299794/step Wall: 11630.7, 0.00299794/step, 0.943851 hours remaining, 209.664062 MB of memory in use. ENERGY: 3866600 735.7315 2102.5693 1926.3061 116.7523 -206151.5938 17716.9996 0.0000 0.0000 34383.7452 -149169.4898 300.2818 -183553.2350 -149067.0511 298.8813 -123.2785 -89.5953 558250.3809 -1.0910 -1.2296 PRESSURE: 3866800 -177.726 92.0105 -88.6435 92.0095 -295.403 108.112 -88.6439 108.113 -126.558 GPRESSURE: 3866800 -155.761 79.3999 -104.731 37.7962 -263.913 108.374 -137.91 31.4897 -83.6012 PRESSAVG: 3866800 10.9405 39.007 31.53 39.007 2.79958 22.8757 31.5299 22.8757 -20.5224 GPRESSAVG: 3866800 10.3717 37.7511 30.3274 38.3001 3.3091 21.904 30.6803 23.4199 -20.8697 TIMING: 3866800 CPU: 11631.3, 0.00299794/step Wall: 11631.3, 0.00299794/step, 0.943686 hours remaining, 209.664062 MB of memory in use. ENERGY: 3866800 775.2789 2078.4860 1955.0920 112.2641 -205798.7992 17518.4613 0.0000 0.0000 34184.7425 -149174.4743 298.5439 -183359.2168 -149078.4958 299.5142 -199.8954 -167.7586 558515.1933 -2.2608 -2.3963 PRESSURE: 3867000 -198.033 17.9861 -81.5331 17.9861 373.453 -71.092 -81.5329 -71.0915 -98.4768 GPRESSURE: 3867000 -152.816 24.5401 -124.758 70.2986 348.879 -85.2347 -71.0036 -15.7167 -8.1845 PRESSAVG: 3867000 -44.515 -18.853 -42.1632 -18.853 3.52453 8.66274 -42.1632 8.66275 29.4939 GPRESSAVG: 3867000 -44.7069 -18.0852 -39.2864 -16.8131 3.22736 11.8148 -42.2491 6.18002 29.7328 TIMING: 3867000 CPU: 11631.9, 0.00302415/step Wall: 11631.9, 0.00302415/step, 0.951768 hours remaining, 209.664062 MB of memory in use. ENERGY: 3867000 744.2710 2050.8517 1914.0613 97.7430 -206009.1843 17691.9224 0.0000 0.0000 34145.7741 -149364.5608 298.2035 -183510.3350 -149261.1836 299.0786 25.6478 62.6261 556678.9541 -3.8322 -3.9156 PRESSURE: 3867200 -127.095 -37.3706 -58.3961 -37.3714 202.465 92.0811 -58.3958 92.0815 -97.5966 GPRESSURE: 3867200 -79.9631 -42.4892 -37.1859 -144.62 257.86 118.723 -67.1959 83.4752 -94.7266 PRESSAVG: 3867200 -17.6477 22.4483 -25.5832 22.4482 53.4151 66.9384 -25.5832 66.9383 -25.1644 GPRESSAVG: 3867200 -16.2788 24.4679 -29.5028 19.8392 53.5901 66.0837 -24.7718 69.1247 -26.4749 TIMING: 3867200 CPU: 11632.5, 0.00300973/step Wall: 11632.5, 0.00300973/step, 0.947063 hours remaining, 209.664062 MB of memory in use. ENERGY: 3867200 731.4754 2094.8783 1916.8451 112.1143 -206130.0851 17744.6194 0.0000 0.0000 34247.5015 -149282.6511 299.0919 -183530.1526 -149193.1230 299.3842 -7.4088 27.7234 557609.3445 3.5343 3.6122 PRESSURE: 3867400 382.148 37.5707 -46.2627 37.5722 215.39 -4.30896 -46.2639 -4.30927 229.36 GPRESSURE: 3867400 441.876 6.93225 -54.177 101.905 205.687 -49.8043 -86.8144 24.2805 280.83 PRESSAVG: 3867400 3.40684 -30.6478 -13.1883 -30.6478 68.6594 30.5678 -13.1883 30.5678 -66.1275 GPRESSAVG: 3867400 1.42136 -33.6725 -9.52523 -29.3606 70.0116 27.0839 -16.2364 31.6993 -65.5888 TIMING: 3867400 CPU: 11633.1, 0.00297836/step Wall: 11633.1, 0.00297836/step, 0.937024 hours remaining, 209.664062 MB of memory in use. ENERGY: 3867400 714.0136 2100.4108 1926.6019 110.8909 -206347.3436 18031.0795 0.0000 0.0000 34145.9996 -149318.3473 298.2055 -183464.3469 -149225.9890 299.2947 275.6326 309.4644 555723.7452 1.9796 1.9480 PRESSURE: 3867600 -117.801 10.3905 182.64 10.3908 -133.749 43.6177 182.64 43.6172 15.0895 GPRESSURE: 3867600 -50.791 55.2359 172.394 -41.7459 -111.801 -10.2597 161.084 72.0905 27.5315 PRESSAVG: 3867600 69.7523 -6.09246 25.9291 -6.09253 -9.49379 7.21834 25.9292 7.21842 -24.0913 GPRESSAVG: 3867600 71.3498 -5.464 24.5753 -3.5262 -10.3497 11.1913 28.6804 4.45216 -25.05 TIMING: 3867600 CPU: 11633.7, 0.00299938/step Wall: 11633.7, 0.00299938/step, 0.943472 hours remaining, 209.664062 MB of memory in use. ENERGY: 3867600 738.8797 2093.6295 1928.5295 112.9314 -206236.5750 17782.1015 0.0000 0.0000 34186.6403 -149393.8631 298.5604 -183580.5034 -149294.7367 298.9863 -78.8202 -45.0202 557493.4942 12.0557 11.9834 PRESSURE: 3867800 -619.212 -48.9445 77.0282 -48.9442 -105.857 9.37186 77.0278 9.36957 -185.606 GPRESSURE: 3867800 -601.001 -37.3424 62.3803 -65.484 -89.415 25.6277 4.89621 23.25 -134.48 PRESSAVG: 3867800 -42.4561 20.9256 25.7575 20.9255 -26.573 -23.8888 25.7574 -23.8889 55.1168 GPRESSAVG: 3867800 -43.4372 20.6637 27.7602 18.7524 -26.2183 -27.3124 23.5862 -23.6695 55.9233 TIMING: 3867800 CPU: 11634.3, 0.00299314/step Wall: 11634.3, 0.00299314/step, 0.941341 hours remaining, 209.664062 MB of memory in use. ENERGY: 3867800 753.9037 2080.1995 1927.0742 101.9380 -205804.7993 17372.1082 0.0000 0.0000 34053.3800 -149516.1957 297.3966 -183569.5757 -149415.4355 298.2842 -303.5585 -274.9653 558413.7064 -4.6374 -4.5774 PRESSURE: 3868000 -81.8353 -59.17 -84.6031 -59.1692 -68.652 12.0155 -84.6034 12.0183 -74.2441 GPRESSURE: 3868000 -42.314 -92.3997 -31.2245 -74.1646 -34.7135 94.5971 -130.135 24.9008 -54.2821 PRESSAVG: 3868000 -55.0535 44.0212 2.22408 44.0212 38.4515 41.606 2.22404 41.606 29.2143 GPRESSAVG: 3868000 -54.6074 44.856 0.481663 43.6255 37.2763 42.8078 3.73638 42.9208 30.0805 TIMING: 3868000 CPU: 11634.9, 0.00299221/step Wall: 11634.9, 0.00299221/step, 0.940882 hours remaining, 209.664062 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: 3868000 758.7256 2101.8370 1943.2235 124.9898 -206470.8629 17803.0400 0.0000 0.0000 34388.0442 -149351.0028 300.3193 -183739.0470 -149255.9897 298.2880 -74.9105 -43.7699 556657.0926 4.2041 4.2498 PRESSURE: 3868200 147.049 12.6507 82.2035 12.6499 -38.6124 26.2411 82.2032 26.2419 -63.3662 GPRESSURE: 3868200 145.372 55.1604 74.5153 -20.3243 21.606 47.4443 35.4635 120.841 -22.044 PRESSAVG: 3868200 3.43014 4.30011 32.6376 4.30009 -20.3993 21.1167 32.6375 21.1167 9.62589 GPRESSAVG: 3868200 2.34245 3.28194 31.0753 5.86683 -20.6552 23.6214 35.5082 19.6711 10.6724 TIMING: 3868200 CPU: 11635.5, 0.002986/step Wall: 11635.5, 0.002986/step, 0.938765 hours remaining, 209.664062 MB of memory in use. ENERGY: 3868200 768.3934 2097.3940 1929.4946 117.3885 -205946.6461 17605.3861 0.0000 0.0000 34440.8869 -148987.7025 300.7808 -183428.5894 -148894.2693 300.4314 15.0233 48.3115 556310.7313 -2.4477 -2.5468 LDB: ============= START OF LOAD BALANCING ============== 11639 LDB: ============== END OF LOAD BALANCING =============== 11639 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11639 LDB: ============= START OF LOAD BALANCING ============== 11639.3 LDB: Largest compute 4802 load 0.027376 is 23.1% of average load 0.118339 LDB: Average compute 0.001732 is 1.5% of average load 0.118339 LDB: TIME 11639.3 LOAD: AVG 0.118339 MAX 0.211636 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 11639.3 LOAD: AVG 0.118339 MAX 0.211636 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: TIME 11639.3 LOAD: AVG 0.118339 MAX 0.211636 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11639.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11639.3 PRESSURE: 3868400 -62.0673 -40.7745 36.408 -40.7742 221.436 9.0074 36.4073 9.00582 157.619 GPRESSURE: 3868400 -17.2221 -107.157 30.7578 -17.3714 289.336 -28.3063 16.2879 20.3774 134.346 PRESSAVG: 3868400 0.767706 20.4486 -30.568 20.4486 8.33959 -0.274138 -30.5681 -0.274198 9.38598 GPRESSAVG: 3868400 1.05608 20.6551 -29.9362 19.6995 8.95711 -3.36742 -31.7366 2.89186 8.31819 TIMING: 3868400 CPU: 11636.1, 0.00301696/step Wall: 11636.1, 0.00301696/step, 0.948332 hours remaining, 209.257812 MB of memory in use. ENERGY: 3868400 715.8152 2127.1696 1926.9231 109.0214 -205963.0417 17569.8312 0.0000 0.0000 34457.3454 -149056.9358 300.9246 -183514.2812 -148959.5083 299.7194 105.6626 135.4867 555872.9805 6.1644 6.1105 PRESSURE: 3868600 -146.634 71.4579 160.132 71.4578 -71.0546 2.66817 160.132 2.66778 -12.2958 GPRESSURE: 3868600 -77.4035 46.1521 110.522 28.961 -109.977 82.3845 137.325 -15.4631 67.4629 PRESSAVG: 3868600 17.2591 55.0734 7.87563 55.0734 12.8052 5.73034 7.87557 5.73031 54.5396 GPRESSAVG: 3868600 17.8959 56.1354 8.0229 53.4392 12.9387 6.33705 5.45147 4.10492 53.9654 TIMING: 3868600 CPU: 11636.7, 0.00296683/step Wall: 11636.7, 0.00296683/step, 0.93241 hours remaining, 209.257812 MB of memory in use. ENERGY: 3868600 753.1573 2110.6796 1934.0506 111.3903 -205869.2209 17573.7489 0.0000 0.0000 34403.3992 -148982.7950 300.4534 -183386.1942 -148887.6844 300.2440 -76.6615 -39.9724 556635.6893 28.2013 28.2666 PRESSURE: 3868800 266.726 78.9685 -211.349 78.9682 -36.5004 -164.587 -211.351 -164.588 -58.5714 GPRESSURE: 3868800 234.885 139.838 -239.306 74.529 29.5222 -195.612 -108.791 -139.209 2.07082 PRESSAVG: 3868800 -0.949114 32.3778 16.8895 32.3779 -2.23211 -8.7331 16.8895 -8.73315 -37.5804 GPRESSAVG: 3868800 -0.970673 32.7794 14.3114 32.6516 -1.49471 -8.62992 18.645 -8.80201 -38.1926 TIMING: 3868800 CPU: 11637.3, 0.00300165/step Wall: 11637.3, 0.00300165/step, 0.943184 hours remaining, 209.257812 MB of memory in use. ENERGY: 3868800 733.2824 2116.8471 1925.7552 114.5717 -206360.5926 17970.3186 0.0000 0.0000 34388.3318 -149111.4857 300.3219 -183499.8175 -149013.7512 300.1214 57.2179 88.8259 557486.7714 -13.5872 -13.5526 PRESSURE: 3869000 148.832 -138.323 -206.33 -138.324 -160.193 -13.7111 -206.33 -13.7116 81.0468 GPRESSURE: 3869000 135.536 -111.958 -238.724 -92.2327 -93.7315 -96.7899 -184.589 0.582103 122.067 PRESSAVG: 3869000 70.9788 -39.2702 -18.7585 -39.2702 1.83756 0.682452 -18.7586 0.682474 -85.6796 GPRESSAVG: 3869000 70.729 -39.6051 -17.2293 -38.7606 3.20337 1.31236 -18.9571 -0.0977025 -86.1916 TIMING: 3869000 CPU: 11637.9, 0.00297919/step Wall: 11637.9, 0.00297919/step, 0.935962 hours remaining, 209.257812 MB of memory in use. ENERGY: 3869000 738.7185 2017.0784 1933.4348 92.8985 -206385.8352 17885.2423 0.0000 0.0000 34424.8443 -149293.6182 300.6407 -183718.4626 -149199.1576 299.8359 23.2288 54.6238 557382.4293 -4.2877 -4.0864 PRESSURE: 3869200 116.203 10.6279 183.273 10.6269 -56.7638 82.993 183.274 82.9936 -130.149 GPRESSURE: 3869200 174.363 24.4188 153.996 -51.9 -83.0936 125.585 184.053 4.89885 -56.8659 PRESSAVG: 3869200 1.59655 -32.9717 20.6244 -32.9717 -51.6547 5.64066 20.6244 5.64072 33.7061 GPRESSAVG: 3869200 1.78525 -31.7889 21.4294 -33.8693 -53.3326 7.44603 20.2667 5.29152 35.2331 TIMING: 3869200 CPU: 11638.5, 0.00297218/step Wall: 11638.5, 0.00297218/step, 0.933596 hours remaining, 209.257812 MB of memory in use. ENERGY: 3869200 713.1972 2133.6194 1950.9490 106.9007 -206184.4370 17854.6126 0.0000 0.0000 34055.4570 -149369.7012 297.4148 -183425.1582 -149272.6929 299.4428 -23.5698 11.4679 557036.8507 -5.4507 -5.4381 PRESSURE: 3869400 -153.322 -23.9865 -3.44598 -23.9869 -336.959 119.203 -3.44533 119.203 -202.793 GPRESSURE: 3869400 -116.478 -33.3588 -1.29253 -28.2226 -262.932 61.3413 9.60553 95.5051 -213.249 PRESSAVG: 3869400 -10.03 5.57276 29.6952 5.57275 -48.2958 18.7185 29.6951 18.7184 31.1129 GPRESSAVG: 3869400 -10.4054 3.77493 29.8116 6.48884 -48.0048 18.2811 30.7226 18.9134 30.7222 TIMING: 3869400 CPU: 11639.1, 0.00300036/step Wall: 11639.1, 0.00300036/step, 0.942281 hours remaining, 209.257812 MB of memory in use. ENERGY: 3869400 759.2848 2063.9528 1957.9457 116.0120 -206009.0511 17485.7793 0.0000 0.0000 34120.7722 -149505.3043 297.9852 -183626.0766 -149414.7562 298.6975 -231.0246 -197.5529 557653.8186 -9.0710 -9.2293 PRESSURE: 3869600 -273.792 -54.4791 106.152 -54.4788 -180.293 -14.5804 106.152 -14.5797 32.2866 GPRESSURE: 3869600 -198.276 -2.9418 127.809 -75.1596 -181.521 -14.4271 76.2707 -5.23326 52.9469 PRESSAVG: 3869600 5.47236 -22.1089 -33.4095 -22.1089 -14.5732 -58.485 -33.4095 -58.4849 -5.36151 GPRESSAVG: 3869600 6.0663 -22.9994 -33.4765 -21.5335 -15.2861 -58.3144 -33.7601 -58.1178 -5.23162 TIMING: 3869600 CPU: 11639.7, 0.00299787/step Wall: 11639.7, 0.00299787/step, 0.941331 hours remaining, 209.257812 MB of memory in use. ENERGY: 3869600 756.0020 2090.9170 1934.3690 105.4570 -206251.7496 17765.3904 0.0000 0.0000 34189.7805 -149409.8338 298.5879 -183599.6143 -149317.2860 299.0876 -140.5996 -108.9500 557099.1654 -4.8208 -4.8171 PRESSURE: 3869800 -359.455 -130.418 57.1797 -130.418 -29.618 -84.6275 57.1798 -84.6274 -516.786 GPRESSURE: 3869800 -311.444 -116.561 66.2547 -191.47 7.62149 -96.343 -1.28838 14.9355 -498.545 PRESSAVG: 3869800 -40.4168 3.93455 -20.5573 3.93462 57.9953 -20.2492 -20.5572 -20.2493 15.235 GPRESSAVG: 3869800 -40.8476 4.98245 -18.4532 3.66798 58.5088 -22.0394 -22.1165 -20.1238 15.3753 TIMING: 3869800 CPU: 11640.3, 0.00298791/step Wall: 11640.3, 0.00298791/step, 0.938038 hours remaining, 209.257812 MB of memory in use. ENERGY: 3869800 761.5849 2134.5214 1943.3449 111.9651 -206165.1922 17453.4501 0.0000 0.0000 34298.9258 -149461.4001 299.5410 -183760.3259 -149358.3509 299.2037 -301.9530 -267.4557 557099.2123 10.9379 11.0122 PRESSURE: 3870000 -393.534 229.519 145.883 229.519 -75.7247 -15.8327 145.882 -15.8337 -221.466 GPRESSURE: 3870000 -386.436 204.131 63.7387 223.839 -80.6454 -1.02885 138.267 62.2342 -125.863 PRESSAVG: 3870000 -15.475 31.3356 -26.2641 31.3356 37.6137 -8.63503 -26.2642 -8.63498 2.57808 GPRESSAVG: 3870000 -16.1658 30.0392 -26.5593 30.656 36.8891 -7.46873 -24.8049 -11.0942 3.67831 TIMING: 3870000 CPU: 11640.9, 0.00296102/step Wall: 11640.9, 0.00296102/step, 0.929433 hours remaining, 209.257812 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: 3870000 754.7872 2059.1305 1959.4799 119.2108 -206074.1073 17527.2971 0.0000 0.0000 34178.5683 -149475.6335 298.4899 -183654.2018 -149374.8034 299.0656 -230.2415 -197.6481 557365.5420 8.2389 8.1339 PRESSURE: 3870200 24.1723 0.379566 39.8681 0.379315 -67.0229 -16.8553 39.8678 -16.8541 -49.1864 GPRESSURE: 3870200 76.838 -18.5326 35.8099 58.3577 -0.230634 -51.9791 -7.7913 -69.7088 -73.3014 PRESSAVG: 3870200 -13.979 28.7583 5.84598 28.7584 17.2481 -28.3946 5.84595 -28.3945 -22.4332 GPRESSAVG: 3870200 -13.6463 29.1485 5.51291 26.8663 17.7864 -28.6498 3.9038 -24.6563 -23.487 TIMING: 3870200 CPU: 11641.5, 0.00296455/step Wall: 11641.5, 0.00296455/step, 0.930374 hours remaining, 209.257812 MB of memory in use. ENERGY: 3870200 718.0932 2126.6394 1908.3338 115.4839 -206194.2105 17737.0489 0.0000 0.0000 34281.3349 -149307.2764 299.3874 -183588.6112 -149214.9796 298.4815 -30.6790 1.1020 558277.1637 -6.3880 -6.4489 PRESSURE: 3870400 17.6575 49.2129 -136.072 49.2119 -35.4209 -134.218 -136.071 -134.219 84.8021 GPRESSURE: 3870400 42.3743 -39.1617 -184.698 118.586 23.4 -176.499 -101.926 -150.336 106.608 PRESSAVG: 3870400 28.4927 2.6679 -39.0513 2.66788 43.4925 -33.9574 -39.0512 -33.9575 -25.946 GPRESSAVG: 3870400 28.9176 2.12494 -38.7887 3.52036 43.145 -35.586 -39.1607 -35.7177 -26.6017 TIMING: 3870400 CPU: 11642.1, 0.00295867/step Wall: 11642.1, 0.00295867/step, 0.928364 hours remaining, 209.257812 MB of memory in use. ENERGY: 3870400 725.0693 2054.6239 1917.9596 108.3113 -206376.9828 17955.8102 0.0000 0.0000 34283.3016 -149331.9069 299.4046 -183615.2085 -149242.8717 298.9438 22.3462 57.4608 557796.9525 15.3464 15.1536 PRESSURE: 3870600 -88.437 74.5811 30.141 74.5824 98.4491 -48.7198 30.1421 -48.7205 -228.08 GPRESSURE: 3870600 -110.973 52.0061 -72.3918 68.8534 134.743 -89.5945 92.3157 -8.67585 -136.286 PRESSAVG: 3870600 -81.3088 33.7319 -25.7932 33.7319 19.5031 -39.4325 -25.793 -39.4325 -2.29433 GPRESSAVG: 3870600 -81.5565 35.041 -26.3931 35.2438 18.7028 -36.9003 -25.4328 -39.2367 -1.00722 TIMING: 3870600 CPU: 11642.7, 0.00297477/step Wall: 11642.7, 0.00297477/step, 0.93325 hours remaining, 209.257812 MB of memory in use. ENERGY: 3870600 734.4861 2044.5761 1972.4026 100.8256 -206058.5269 17712.4736 0.0000 0.0000 34249.0517 -149244.7111 299.1055 -183493.7629 -149150.5754 298.8757 -72.6894 -37.5055 558095.6240 -21.3666 -21.2870 PRESSURE: 3870800 80.5734 65.6621 80.7322 65.6623 -98.5425 -40.3911 80.7325 -40.3914 215.385 GPRESSURE: 3870800 190.388 71.8098 238.97 0.883942 -115.897 -34.9948 -7.91836 -61.4682 221.993 PRESSAVG: 3870800 -53.6963 -18.8296 37.9876 -18.8296 15.5762 10.2486 37.9875 10.2488 8.50684 GPRESSAVG: 3870800 -53.4949 -18.176 39.9439 -19.6592 17.3184 8.01009 37.0646 9.47653 7.02148 TIMING: 3870800 CPU: 11643.3, 0.00297394/step Wall: 11643.3, 0.00297394/step, 0.932825 hours remaining, 209.257812 MB of memory in use. ENERGY: 3870800 751.7548 2087.2365 1964.4933 106.0024 -206262.7777 17947.8460 0.0000 0.0000 34204.3613 -149201.0834 298.7152 -183405.4447 -149107.0951 299.1679 65.8051 98.8280 559463.0291 -9.8711 -9.7183 PRESSURE: 3871000 90.7674 27.4341 -56.0685 27.4327 -199.048 89.3071 -56.068 89.307 -165.802 GPRESSURE: 3871000 130.444 72.301 -20.0801 24.8494 -126.485 66.1999 -52.6758 47.4681 -178.026 PRESSAVG: 3871000 35.5522 -18.9993 -13.6073 -18.9993 -72.1756 13.9074 -13.6074 13.9074 3.73499 GPRESSAVG: 3871000 35.9136 -20.4652 -15.3808 -17.5144 -72.5059 12.7996 -11.5178 14.6432 3.91686 TIMING: 3871000 CPU: 11643.9, 0.00297652/step Wall: 11643.9, 0.00297653/step, 0.933471 hours remaining, 209.257812 MB of memory in use. ENERGY: 3871000 700.4225 2047.3904 1931.1373 101.4882 -205741.9598 17694.2430 0.0000 0.0000 33939.9390 -149327.3394 296.4059 -183267.2784 -149238.8994 298.0995 -91.3606 -58.0222 558690.7217 -10.9628 -10.8918 PRESSURE: 3871200 -217.077 70.2157 -83.6979 70.2157 -249.054 163.078 -83.6996 163.078 -183.209 GPRESSURE: 3871200 -179.833 41.8246 -60.7435 66.6388 -264.971 201.698 -174.247 46.666 -100.589 PRESSAVG: 3871200 -0.0713756 31.5897 -18.2063 31.5897 15.6724 -28.2656 -18.2063 -28.2658 -29.8735 GPRESSAVG: 3871200 0.524262 31.6822 -17.8642 30.8669 14.4809 -27.5776 -18.5939 -29.0772 -29.577 TIMING: 3871200 CPU: 11644.5, 0.00296881/step Wall: 11644.5, 0.00296881/step, 0.930887 hours remaining, 209.328125 MB of memory in use. ENERGY: 3871200 694.1179 2064.0213 1925.2702 92.0480 -205691.5118 17494.4022 0.0000 0.0000 34220.9299 -149200.7224 298.8599 -183421.6523 -149102.1000 298.6307 -216.4466 -181.7977 559730.0227 -4.7575 -4.8573 PRESSURE: 3871400 -83.08 34.0195 14.885 34.0188 -141.031 36.5292 14.8852 36.5295 -305.327 GPRESSURE: 3871400 -70.3629 47.3695 79.6054 45.245 -113.776 72.3003 -19.563 20.2439 -254.402 PRESSAVG: 3871400 3.44959 6.29355 0.069657 6.29349 46.0357 22.0522 0.0696254 22.052 -34.5747 GPRESSAVG: 3871400 2.31112 6.11569 -1.15865 5.29926 45.7993 22.6491 0.156501 21.7573 -32.9688 TIMING: 3871400 CPU: 11645.1, 0.00296857/step Wall: 11645.1, 0.00296857/step, 0.930646 hours remaining, 209.328125 MB of memory in use. ENERGY: 3871400 754.5624 2068.1624 1932.5448 113.0115 -206107.7873 17744.7963 0.0000 0.0000 34265.7593 -149228.9506 299.2514 -183494.7099 -149144.0329 298.0606 -176.4793 -146.1804 559086.9797 4.9702 5.0472 PRESSURE: 3871600 -39.3532 49.1577 -28.4108 49.1576 -42.0227 -57.1653 -28.41 -57.1645 -13.629 GPRESSURE: 3871600 -10.8185 -10.0063 60.1948 17.527 -22.5903 -111.706 -98.9287 -72.9391 39.9844 PRESSAVG: 3871600 -55.0193 43.5396 -18.3461 43.5396 8.13266 11.2091 -18.3461 11.2093 -13.1151 GPRESSAVG: 3871600 -56.3141 43.0059 -19.2981 46.0186 9.6524 10.3498 -19.3441 10.9595 -13.3105 TIMING: 3871600 CPU: 11645.7, 0.00298647/step Wall: 11645.7, 0.00298647/step, 0.936091 hours remaining, 209.328125 MB of memory in use. ENERGY: 3871600 734.9954 2046.7107 1928.1890 105.7079 -206321.6012 18051.1610 0.0000 0.0000 34152.5895 -149302.2478 298.2631 -183454.8372 -149210.6257 298.9016 -31.6683 2.1919 558441.5632 -20.0006 -19.9907 PRESSURE: 3871800 -3.69241 144.925 139.99 144.926 -226.085 99.7545 139.99 99.7544 103.617 GPRESSURE: 3871800 37.6457 164.387 132.273 118.748 -192.921 89.4971 103.004 56.9062 131.018 PRESSAVG: 3871800 40.4251 20.6415 21.3468 20.6415 -31.2676 11.8101 21.3467 11.8101 18.883 GPRESSAVG: 3871800 41.1148 22.4802 22.3008 18.7366 -32.487 12.1189 21.9519 11.2663 19.3814 TIMING: 3871800 CPU: 11646.3, 0.00300091/step Wall: 11646.3, 0.00300091/step, 0.940452 hours remaining, 209.328125 MB of memory in use. ENERGY: 3871800 726.6780 2006.2178 1936.5539 106.4976 -205905.9768 17649.6488 0.0000 0.0000 34211.0071 -149269.3734 298.7732 -183480.3806 -149181.4890 298.5546 -42.0535 -8.0857 557180.2267 9.3468 9.3364 PRESSURE: 3872000 -52.1927 -121.587 -156.257 -121.586 -102.924 44.7625 -156.257 44.7615 147.288 GPRESSURE: 3872000 -4.8118 -88.3342 -139.587 -60.8471 -57.0953 -5.67076 -169.651 134.278 146.124 PRESSAVG: 3872000 0.440348 -26.9813 4.87994 -26.9813 -102.464 -24.2431 4.87996 -24.2431 100.449 GPRESSAVG: 3872000 1.44626 -28.8548 4.32577 -26.9999 -101.827 -24.3741 6.02847 -22.0806 98.5857 TIMING: 3872000 CPU: 11646.9, 0.00301573/step Wall: 11646.9, 0.00301573/step, 0.94493 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: 3872000 766.9172 1980.0046 1953.9870 108.4748 -206479.4359 17992.9106 0.0000 0.0000 34277.6388 -149399.5028 299.3551 -183677.1416 -149299.3253 298.1413 -2.6096 28.0722 557135.5521 -0.5246 -0.5983 PRESSURE: 3872200 -107.548 19.3802 -87.0189 19.3803 -25.3614 104.922 -87.0191 104.921 -326.237 GPRESSURE: 3872200 -106.991 35.7378 -111.99 -12.138 33.0659 155.437 -78.5043 143.236 -290.443 PRESSAVG: 3872200 -21.5551 -23.8622 44.0195 -23.8623 0.734632 -7.23408 44.0195 -7.23407 14.5681 GPRESSAVG: 3872200 -22.2112 -20.4562 44.927 -25.5271 1.03452 -5.57871 42.2244 -11.5109 15.5977 TIMING: 3872200 CPU: 11647.5, 0.00303618/step Wall: 11647.5, 0.00303618/step, 0.951167 hours remaining, 209.328125 MB of memory in use. ENERGY: 3872200 743.5823 2066.3418 1929.7563 104.5410 -205829.2118 17471.5121 0.0000 0.0000 34024.9871 -149488.4913 297.1487 -183513.4784 -149390.4360 298.4355 -153.0489 -121.4560 558024.8285 -2.0841 -1.8596 LDB: ============= START OF LOAD BALANCING ============== 11651 LDB: ============== END OF LOAD BALANCING =============== 11651 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11651 LDB: ============= START OF LOAD BALANCING ============== 11651.3 LDB: Largest compute 4773 load 0.027464 is 23.2% of average load 0.118282 LDB: Average compute 0.001733 is 1.5% of average load 0.118282 LDB: TIME 11651.3 LOAD: AVG 0.118282 MAX 0.213452 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.801 MB LDB: TIME 11651.3 LOAD: AVG 0.118282 MAX 0.213452 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.801 MB LDB: TIME 11651.3 LOAD: AVG 0.118282 MAX 0.213452 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.801 MB LDB: ============== END OF LOAD BALANCING =============== 11651.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11651.3 PRESSURE: 3872400 -46.7613 -12.7915 57.8281 -12.7901 -271.744 -103.314 57.8277 -103.314 -117.342 GPRESSURE: 3872400 -48.8271 73.9673 82.701 -74.0563 -235.76 -124.558 62.1995 -59.6726 -70.9899 PRESSAVG: 3872400 -13.922 -16.0168 23.0212 -16.0169 32.9634 41.3032 23.0212 41.3031 -13.8311 GPRESSAVG: 3872400 -14.2893 -17.7576 22.4406 -14.6599 31.8789 41.801 26.5291 43.4923 -12.6764 TIMING: 3872400 CPU: 11648.1, 0.00307104/step Wall: 11648.1, 0.00307104/step, 0.961917 hours remaining, 208.445312 MB of memory in use. ENERGY: 3872400 786.2324 2062.8049 1936.3080 108.8226 -206289.7249 17771.8965 0.0000 0.0000 34271.6603 -149352.0004 299.3029 -183623.6606 -149269.5074 299.1317 -145.2823 -118.5255 557389.7218 1.7368 1.6377 PRESSURE: 3872600 -232.049 84.0768 30.3294 84.0763 -26.1849 71.7164 30.3287 71.7155 -161.651 GPRESSURE: 3872600 -194.331 102.894 60.3311 -5.45314 -12.2196 93.9894 25.6242 102.271 -113.26 PRESSAVG: 3872600 9.30209 -25.2103 16.8325 -25.2103 -16.1281 -24.4898 16.8325 -24.4898 60.277 GPRESSAVG: 3872600 9.0318 -23.1374 15.5991 -24.7257 -16.0074 -23.7094 13.9706 -24.959 60.044 TIMING: 3872600 CPU: 11648.7, 0.00301755/step Wall: 11648.7, 0.00301755/step, 0.944996 hours remaining, 208.703125 MB of memory in use. ENERGY: 3872600 751.4087 2092.4953 1924.4508 121.8858 -206135.3310 17662.6384 0.0000 0.0000 34119.5949 -149462.8570 297.9749 -183582.4520 -149367.9499 298.1999 -139.9618 -106.6034 557969.0018 17.8170 17.6894 PRESSURE: 3872800 -37.4717 19.2543 65.3855 19.2544 -167.591 -194.01 65.3847 -194.008 -172.06 GPRESSURE: 3872800 -42.0793 -1.19271 43.9374 77.582 -155.402 -250.152 97.9451 -178.538 -88.0071 PRESSAVG: 3872800 -3.22273 -5.96051 38.2239 -5.96055 -33.3425 5.25019 38.2239 5.25019 34.6294 GPRESSAVG: 3872800 -3.2793 -7.68658 40.9074 -4.9654 -32.1044 1.94074 37.6435 5.38793 33.7318 TIMING: 3872800 CPU: 11649.3, 0.00299896/step Wall: 11649.3, 0.00299896/step, 0.939009 hours remaining, 208.703125 MB of memory in use. ENERGY: 3872800 755.9636 2060.7650 1948.4893 122.7034 -206110.0237 17766.9839 0.0000 0.0000 34061.5297 -149393.5888 297.4678 -183455.1185 -149299.9460 298.3140 -125.7077 -95.1629 557496.0904 -0.6453 -0.5506 PRESSURE: 3873000 74.5628 -283.684 -94.0314 -283.684 -403.011 29.9732 -94.0312 29.9726 -110.468 GPRESSURE: 3873000 22.5521 -326.702 -137.184 -161.428 -312.925 59.089 -99.3781 37.0782 -62.6353 PRESSAVG: 3873000 37.7305 -89.3244 -14.7632 -89.3245 -74.3632 -37.4262 -14.7633 -37.4261 10.0896 GPRESSAVG: 3873000 38.1835 -89.461 -15.4392 -89.7649 -76.1835 -36.3144 -12.6064 -37.013 10.7797 TIMING: 3873000 CPU: 11649.9, 0.00300504/step Wall: 11649.9, 0.00300504/step, 0.940746 hours remaining, 208.703125 MB of memory in use. ENERGY: 3873000 748.6330 2067.0555 1918.4394 116.4117 -206194.4721 17679.0170 0.0000 0.0000 34392.8709 -149272.0446 300.3615 -183664.9155 -149176.4153 298.8510 -146.3056 -117.6694 557071.9781 -8.8477 -9.0734 PRESSURE: 3873200 4.4782 48.3864 76.132 48.3867 37.8937 -156.21 76.1315 -156.209 0.758862 GPRESSURE: 3873200 22.3968 50.6146 79.2014 26.5105 76.49 -117.778 66.891 -218.666 32.7573 PRESSAVG: 3873200 86.8718 -10.6048 -22.5225 -10.6049 -64.4576 6.6613 -22.5225 6.66135 -25.2806 GPRESSAVG: 3873200 85.9823 -11.9354 -22.5399 -9.0527 -63.7682 6.29777 -23.375 5.39794 -25.388 TIMING: 3873200 CPU: 11650.5, 0.00303339/step Wall: 11650.5, 0.00303339/step, 0.949451 hours remaining, 208.703125 MB of memory in use. ENERGY: 3873200 760.2485 1979.1144 1940.6955 106.2469 -206424.5664 17951.1975 0.0000 0.0000 34261.1670 -149425.8967 299.2113 -183687.0636 -149319.1118 299.4487 14.3769 43.8814 558688.2839 -0.9554 -1.0579 PRESSURE: 3873400 -360.302 -158.861 -162.042 -158.861 -174.22 -70.1551 -162.042 -70.1547 -35.419 GPRESSURE: 3873400 -311.644 -98.4567 -171.032 -143.857 -121.405 -132.295 -202.247 -60.1097 -38.3023 PRESSAVG: 3873400 -32.0793 -31.2262 0.0623601 -31.2262 -28.8198 1.49474 0.062324 1.49473 46.3703 GPRESSAVG: 3873400 -31.0118 -30.5693 -0.395194 -31.9681 -28.876 2.69257 1.05145 2.86542 45.5544 TIMING: 3873400 CPU: 11651.1, 0.00302839/step Wall: 11651.1, 0.00302839/step, 0.947719 hours remaining, 208.703125 MB of memory in use. ENERGY: 3873400 725.3086 2061.6784 1965.4628 126.8098 -206203.3208 17702.8650 0.0000 0.0000 34223.9875 -149397.2088 298.8866 -183621.1963 -149300.7666 298.3192 -189.9802 -157.1173 559232.8848 -4.8429 -4.7778 PRESSURE: 3873600 244.687 35.4071 -0.417421 35.4057 -41.3906 137.045 -0.417474 137.043 -101.377 GPRESSURE: 3873600 285.141 14.9306 -62.8433 39.5466 -0.198677 131.95 85.479 51.9483 -79.4135 PRESSAVG: 3873600 80.4121 -30.0903 -55.309 -30.0902 -24.5345 58.496 -55.309 58.4961 -21.5946 GPRESSAVG: 3873600 80.0291 -30.0649 -58.201 -29.77 -24.6041 54.4936 -54.595 58.9892 -21.3206 TIMING: 3873600 CPU: 11651.7, 0.00298291/step Wall: 11651.7, 0.00298291/step, 0.93332 hours remaining, 208.703125 MB of memory in use. ENERGY: 3873600 754.3134 2068.0401 1942.2313 101.4768 -206654.7869 18108.5820 0.0000 0.0000 34268.6460 -149411.4973 299.2766 -183680.1432 -149311.7331 299.2365 33.9732 68.5096 559012.5956 11.4276 11.3682 PRESSURE: 3873800 -110.94 -49.0092 97.9799 -49.0094 99.5961 -112.473 97.9791 -112.471 -213.301 GPRESSURE: 3873800 -53.0722 -60.5475 44.6783 28.6383 90.5564 -153.821 241.298 -68.5265 -172.167 PRESSAVG: 3873800 41.0007 -32.1416 34.5036 -32.1416 -6.29873 -30.7718 34.5035 -30.7719 -35.6471 GPRESSAVG: 3873800 40.1695 -32.8494 36.6466 -32.8498 -6.38803 -30.2627 33.6399 -29.2543 -34.6639 TIMING: 3873800 CPU: 11652.3, 0.0029662/step Wall: 11652.3, 0.0029662/step, 0.927926 hours remaining, 208.773438 MB of memory in use. ENERGY: 3873800 738.8170 2137.6359 1910.4135 120.7043 -206376.6127 17811.5732 0.0000 0.0000 34198.4099 -149459.0589 298.6632 -183657.4688 -149366.7826 298.3174 -74.8815 -44.8944 559002.3633 -0.3150 -0.2942 PRESSURE: 3874000 161.864 -138.189 -115.601 -138.19 -203.761 -21.7573 -115.602 -21.759 -128.99 GPRESSURE: 3874000 197.842 -128.636 -187.719 -176.646 -158.281 -32.9083 -102.486 -10.8277 -118.841 PRESSAVG: 3874000 40.0461 -43.8619 5.47955 -43.8619 48.7032 -42.8356 5.47944 -42.8356 -52.8349 GPRESSAVG: 3874000 39.908 -42.2784 6.57053 -42.4565 49.867 -42.1501 4.14225 -42.8559 -53.1199 TIMING: 3874000 CPU: 11652.9, 0.00296816/step Wall: 11652.9, 0.00296816/step, 0.928374 hours remaining, 209.015625 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: 3874000 768.3400 2065.7912 1928.2734 108.4004 -206324.8035 17799.0365 0.0000 0.0000 34122.6934 -149532.2687 298.0020 -183654.9620 -149444.1440 298.3717 -56.9623 -26.4268 557050.2224 11.9715 12.2184 PRESSURE: 3874200 32.0605 154.737 -70.259 154.737 -118.31 -27.2118 -70.2596 -27.2116 -175.659 GPRESSURE: 3874200 39.6577 165.081 -96.6328 105.836 -118.789 -59.7075 -147.703 -0.379053 -86.4929 PRESSAVG: 3874200 6.80385 -9.09818 -8.37554 -9.09828 21.495 -18.1358 -8.37555 -18.1359 -27.1739 GPRESSAVG: 3874200 5.88124 -9.19686 -8.86987 -10.9822 21.5219 -16.2639 -8.25183 -19.1383 -25.7909 TIMING: 3874200 CPU: 11653.5, 0.00299902/step Wall: 11653.5, 0.00299902/step, 0.93786 hours remaining, 209.015625 MB of memory in use. ENERGY: 3874200 742.5885 2079.1765 1925.2961 103.3568 -206428.6959 17901.8250 0.0000 0.0000 34125.1878 -149551.2652 298.0238 -183676.4530 -149457.4865 298.0001 -87.3027 -55.2082 557142.6459 0.3750 0.5374 PRESSURE: 3874400 -92.9163 -43.8648 99.7598 -43.8638 62.2145 41.5179 99.7601 41.5173 -415.892 GPRESSURE: 3874400 -54.6504 -132.032 158.604 -118.709 89.1572 -8.92648 63.4257 83.8414 -382.037 PRESSAVG: 3874400 -12.0321 26.0845 19.8597 26.0847 47.8485 -25.3671 19.8597 -25.367 -14.5053 GPRESSAVG: 3874400 -10.5069 28.8581 20.5279 24.161 47.2353 -26.126 19.006 -26.582 -15.6152 TIMING: 3874400 CPU: 11654.1, 0.00298032/step Wall: 11654.1, 0.00298032/step, 0.931847 hours remaining, 209.015625 MB of memory in use. ENERGY: 3874400 734.4441 2024.7426 1941.4038 113.1485 -205927.4938 17643.1534 0.0000 0.0000 34152.3572 -149318.2442 298.2610 -183470.6014 -149220.4832 298.3398 -148.8645 -115.8433 559003.3577 7.1037 7.0377 PRESSURE: 3874600 -72.6457 -42.3548 114.145 -42.3539 23.4858 -120.351 114.145 -120.351 36.2322 GPRESSURE: 3874600 -44.3567 -30.5696 155.458 -153.673 47.4085 -85.6976 89.7386 -122.712 63.9299 PRESSAVG: 3874600 -46.9587 -10.9142 14.1888 -10.9143 75.0601 4.16113 14.1887 4.16114 40.593 GPRESSAVG: 3874600 -47.3776 -11.9784 13.9186 -8.68184 75.3149 4.10813 14.8121 5.59604 40.432 TIMING: 3874600 CPU: 11654.7, 0.00296726/step Wall: 11654.7, 0.00296726/step, 0.927598 hours remaining, 209.015625 MB of memory in use. ENERGY: 3874600 714.7116 2050.3659 1920.4763 102.2403 -206208.7803 17804.1364 0.0000 0.0000 34372.0956 -149244.7542 300.1801 -183616.8498 -149139.6065 299.3853 -4.3092 22.3272 558151.8578 22.8981 22.7898 PRESSURE: 3874800 -29.7011 -16.9168 78.2918 -16.9166 -33.2068 -66.7855 78.2907 -66.7839 -297.608 GPRESSURE: 3874800 16.1709 -1.79791 6.05328 -70.6039 -29.4774 -70.1887 118.907 -2.3983 -259.117 PRESSAVG: 3874800 -49.3271 -17.1776 47.1043 -17.1775 -72.9301 -38.8153 47.1042 -38.8153 51.7256 GPRESSAVG: 3874800 -49.3153 -18.2596 47.1457 -18.6619 -73.3344 -38.7181 47.8624 -39.7359 52.4661 TIMING: 3874800 CPU: 11655.3, 0.00297184/step Wall: 11655.3, 0.00297184/step, 0.928866 hours remaining, 209.015625 MB of memory in use. ENERGY: 3874800 740.7188 2042.7885 1937.5226 106.3012 -206078.9064 17547.0921 0.0000 0.0000 34428.2500 -149276.2332 300.6705 -183704.4832 -149177.1513 299.7104 -120.1721 -90.8079 557599.5151 -23.5105 -23.3946 PRESSURE: 3875000 -48.0294 179.816 6.76562 179.816 113.557 -70.6117 6.76555 -70.611 336.812 GPRESSURE: 3875000 50.4466 136.701 6.67794 231.537 171.653 -22.2768 -61.4721 -67.9206 289.857 PRESSAVG: 3875000 14.2157 -42.1987 10.8827 -42.1988 -34.7601 -19.3153 10.8826 -19.3153 23.9072 GPRESSAVG: 3875000 13.4369 -42.0027 11.3958 -41.6031 -35.3115 -18.6155 11.602 -19.0703 24.9327 TIMING: 3875000 CPU: 11655.9, 0.00299795/step Wall: 11655.9, 0.00299795/step, 0.936859 hours remaining, 209.015625 MB of memory in use. ENERGY: 3875000 733.7374 2072.0706 1918.7587 109.1842 -206503.5293 18042.5576 0.0000 0.0000 34280.6354 -149346.5854 299.3813 -183627.2208 -149253.5738 298.9534 134.1132 170.6522 556981.8020 1.1209 1.0194 PRESSURE: 3875200 -143.813 94.3744 159.216 94.3753 -199.745 -23.9447 159.216 -23.9465 27.8364 GPRESSURE: 3875200 -151.804 105.286 178.436 57.6522 -127.137 -17.036 186.254 -63.578 59.5698 PRESSAVG: 3875200 -10.9047 28.0046 -10.851 28.0046 7.87626 -3.11982 -10.851 -3.11975 26.7316 GPRESSAVG: 3875200 -10.4133 28.0693 -10.7405 27.8477 8.73014 -3.58838 -11.2199 -4.95822 25.5352 TIMING: 3875200 CPU: 11656.5, 0.00300173/step Wall: 11656.5, 0.00300173/step, 0.937873 hours remaining, 209.015625 MB of memory in use. ENERGY: 3875200 751.0952 2124.3433 1919.1255 105.6877 -206189.3737 17663.6735 0.0000 0.0000 34210.8556 -149414.5930 298.7719 -183625.4486 -149318.3934 298.7366 -105.2407 -73.1239 558885.3195 7.9010 7.9507 PRESSURE: 3875400 211.401 38.215 39.4536 38.2159 46.623 76.8885 39.453 76.8889 220.531 GPRESSURE: 3875400 290.176 6.82424 30.8758 68.7876 61.3139 29.4362 4.3811 99.3968 234.373 PRESSAVG: 3875400 22.2172 12.7522 10.2154 12.7522 3.60434 -25.6913 10.2154 -25.6914 -72.5929 GPRESSAVG: 3875400 22.4942 13.339 12.3381 13.742 2.51279 -26.9195 8.40907 -22.7857 -71.3133 TIMING: 3875400 CPU: 11657.1, 0.00300197/step Wall: 11657.1, 0.00300197/step, 0.937783 hours remaining, 209.015625 MB of memory in use. ENERGY: 3875400 772.8171 2077.0567 1915.7239 116.9931 -206501.4392 18204.2919 0.0000 0.0000 33973.1086 -149441.4479 296.6956 -183414.5565 -149353.7245 298.9035 159.5183 195.2877 558451.3287 -15.5904 -15.4354 PRESSURE: 3875600 25.4777 -101.727 40.4515 -101.727 89.3545 59.473 40.4518 59.4729 91.9017 GPRESSURE: 3875600 70.8817 -23.8158 120.684 -86.805 124.387 63.6635 -33.1453 47.0461 115.372 PRESSAVG: 3875600 18.3991 35.1824 -20.1699 35.1825 -16.6869 31.1593 -20.17 31.1592 -4.40119 GPRESSAVG: 3875600 18.1355 34.3001 -20.7853 32.9862 -15.8667 33.4537 -19.5956 30.4525 -5.14664 TIMING: 3875600 CPU: 11657.7, 0.00304291/step Wall: 11657.7, 0.00304291/step, 0.950403 hours remaining, 209.015625 MB of memory in use. ENERGY: 3875600 724.3828 2112.1985 1925.0447 112.9610 -206640.8709 18026.0225 0.0000 0.0000 34308.8172 -149431.4442 299.6274 -183740.2614 -149333.3058 299.0319 68.9113 103.5467 556273.3434 -0.8963 -0.9593 PRESSURE: 3875800 -249.795 5.01063 -163.039 5.01204 -172.576 -108.181 -163.039 -108.181 -275.633 GPRESSURE: 3875800 -236.24 -107.049 -131.81 78.43 -122.195 -105.962 -156.069 -84.8912 -242.158 PRESSAVG: 3875800 15.1207 -86.1595 -1.26199 -86.1596 18.4399 -8.64645 -1.26207 -8.64634 -20.6293 GPRESSAVG: 3875800 15.6252 -86.5221 -3.52218 -83.9055 18.0283 -11.1671 -1.07641 -9.06039 -20.9543 TIMING: 3875800 CPU: 11658.3, 0.00299596/step Wall: 11658.3, 0.00299596/step, 0.935573 hours remaining, 209.015625 MB of memory in use. ENERGY: 3875800 733.7681 2083.1182 1918.2082 106.4275 -205965.9883 17466.0312 0.0000 0.0000 34119.7434 -149538.6917 297.9762 -183658.4351 -149441.8711 299.3600 -232.6681 -200.1976 556829.5718 4.3105 4.2331 PRESSURE: 3876000 46.5972 155.531 86.6202 155.531 -39.3068 55.1748 86.6206 55.1741 5.05425 GPRESSURE: 3876000 80.8711 144.792 39.688 130.248 -6.61892 21.0811 86.4189 -14.6941 43.7069 PRESSAVG: 3876000 -14.7865 -33.7064 -50.2072 -33.7064 -3.25367 -10.247 -50.2073 -10.247 -3.53184 GPRESSAVG: 3876000 -15.0952 -34.5106 -48.0367 -35.3855 -3.0508 -11.1166 -48.7386 -11.0363 -3.43493 TIMING: 3876000 CPU: 11658.9, 0.00298735/step Wall: 11658.9, 0.00298735/step, 0.932716 hours remaining, 209.015625 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: 3876000 748.3864 2107.8663 1944.5224 110.4503 -206646.6497 17935.5317 0.0000 0.0000 34088.8823 -149711.0104 297.7067 -183799.8927 -149616.8524 297.9782 4.1149 39.3197 557221.0632 -7.1907 -7.1937 PRESSURE: 3876200 -105.836 72.6908 80.3167 72.692 -217.708 -3.55853 80.3156 -3.55626 -6.91817 GPRESSURE: 3876200 -69.7053 116.698 50.4164 -10.4057 -180.091 29.2756 94.4001 -21.3317 7.06311 PRESSAVG: 3876200 -91.4092 -0.886768 16.442 -0.886805 3.68025 5.69299 16.4421 5.69302 37.1212 GPRESSAVG: 3876200 -91.8285 1.47802 14.8862 -0.488068 3.89511 6.94005 16.8672 6.59741 37.123 TIMING: 3876200 CPU: 11659.5, 0.00299727/step Wall: 11659.5, 0.00299727/step, 0.935647 hours remaining, 209.015625 MB of memory in use. ENERGY: 3876200 760.4002 2086.2669 1951.0491 113.4486 -206513.6814 17741.0106 0.0000 0.0000 34232.4489 -149629.0570 298.9605 -183861.5059 -149527.2420 297.8940 -110.1541 -80.9110 557196.7956 -16.8693 -16.9368 LDB: ============= START OF LOAD BALANCING ============== 11663 LDB: ============== END OF LOAD BALANCING =============== 11663 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11663 LDB: ============= START OF LOAD BALANCING ============== 11663.3 LDB: Largest compute 4802 load 0.027632 is 23.4% of average load 0.118271 LDB: Average compute 0.001722 is 1.5% of average load 0.118271 LDB: TIME 11663.3 LOAD: AVG 0.118271 MAX 0.215763 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.516 MB LDB: TIME 11663.3 LOAD: AVG 0.118271 MAX 0.215763 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.516 MB LDB: TIME 11663.3 LOAD: AVG 0.118271 MAX 0.215763 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.516 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11663.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11663.3 PRESSURE: 3876400 -22.5792 -6.68422 116.832 -6.68487 111.202 -24.48 116.832 -24.48 -240.648 GPRESSURE: 3876400 37.7254 -50.3642 147.244 9.56586 92.9135 -61.3069 150.377 -7.3059 -193.128 PRESSAVG: 3876400 29.1967 21.3808 23.963 21.3808 2.01007 10.6808 23.9631 10.6808 20.6016 GPRESSAVG: 3876400 29.5658 20.3785 25.1223 21.9178 1.67857 12.3243 23.1266 8.5642 20.8172 TIMING: 3876400 CPU: 11660.1, 0.00305657/step Wall: 11660.1, 0.00305657/step, 0.953989 hours remaining, 208.941406 MB of memory in use. ENERGY: 3876400 743.6209 2125.1378 1937.8022 115.8073 -206430.2897 17894.6744 0.0000 0.0000 34031.4597 -149581.7873 297.2052 -183613.2470 -149477.4437 297.8636 -50.6751 -20.8296 557297.1466 17.2695 17.3539 PRESSURE: 3876600 -75.1881 -58.2196 -101.665 -58.2202 167.371 207.549 -101.666 207.549 -54.9786 GPRESSURE: 3876600 5.85392 -50.2781 -100.844 -54.1177 233.983 149.751 -78.8791 180.703 -99.7097 PRESSAVG: 3876600 28.5031 -27.6162 -33.1884 -27.6162 10.7215 -10.0793 -33.1884 -10.0793 -44.463 GPRESSAVG: 3876600 29.6505 -29.067 -32.742 -24.4428 10.3236 -9.87696 -33.7737 -9.03021 -44.4384 TIMING: 3876600 CPU: 11660.7, 0.00300789/step Wall: 11660.7, 0.00300789/step, 0.93863 hours remaining, 209.144531 MB of memory in use. ENERGY: 3876600 737.6161 2079.6402 1951.3572 107.6977 -206497.2318 17890.9996 0.0000 0.0000 34268.2922 -149461.6289 299.2735 -183729.9211 -149364.9659 298.6323 12.4014 46.7089 558557.9975 -1.7461 -1.4881 PRESSURE: 3876800 -14.1541 -56.7122 259.166 -56.7116 127.885 55.0985 259.167 55.0988 162.833 GPRESSURE: 3876800 34.2658 -52.252 307.232 -97.3992 168.33 197.42 220.919 94.9292 174.51 PRESSAVG: 3876800 -34.7946 -19.1542 48.6445 -19.1542 1.60511 5.97903 48.6444 5.97899 28.1915 GPRESSAVG: 3876800 -34.9418 -19.3655 46.6516 -22.9148 1.9238 4.97915 48.3814 7.48648 27.4624 TIMING: 3876800 CPU: 11661.3, 0.00303757/step Wall: 11661.3, 0.00303757/step, 0.947723 hours remaining, 209.144531 MB of memory in use. ENERGY: 3876800 677.0240 2106.1207 1909.1608 113.2089 -206273.7853 17848.4753 0.0000 0.0000 34233.8007 -149385.9949 298.9723 -183619.7955 -149281.9202 298.5554 92.1878 125.7019 556697.5792 -1.6660 -1.8518 PRESSURE: 3877000 -298.399 21.0082 -25.7992 21.0087 -464.183 -58.6289 -25.7985 -58.6277 -186.045 GPRESSURE: 3877000 -269.766 -18.3056 53.9744 69.0476 -448.611 -149.178 -63.2236 -2.6731 -138.983 PRESSAVG: 3877000 12.5974 -10.0314 38.853 -10.0314 -54.3198 40.8888 38.853 40.8889 54.8185 GPRESSAVG: 3877000 11.3302 -8.48198 40.9303 -9.27265 -54.9725 39.7883 39.0397 39.4552 56.2912 TIMING: 3877000 CPU: 11661.9, 0.00299888/step Wall: 11661.9, 0.00299888/step, 0.935484 hours remaining, 209.144531 MB of memory in use. ENERGY: 3877000 737.9478 2067.2249 1918.6914 103.7972 -205803.0343 17464.1858 0.0000 0.0000 34196.1469 -149315.0405 298.6435 -183511.1873 -149219.1386 298.5339 -316.2088 -285.7865 559584.0680 4.3654 4.2163 PRESSURE: 3877200 -90.9265 -36.7356 -104.671 -36.7358 -122.268 85.953 -104.672 85.9523 -81.7835 GPRESSURE: 3877200 -41.7017 -51.2044 -49.7161 -10.9831 -135.081 79.94 -128.197 94.5178 -16.0117 PRESSAVG: 3877200 4.42366 42.6421 16.4567 42.6421 -54.616 29.8969 16.4567 29.8968 61.6903 GPRESSAVG: 3877200 3.44195 42.1234 14.4365 45.0015 -53.5936 32.4524 15.7715 28.2678 61.793 TIMING: 3877200 CPU: 11662.5, 0.00299237/step Wall: 11662.5, 0.00299237/step, 0.933288 hours remaining, 209.144531 MB of memory in use. ENERGY: 3877200 739.6054 2076.3269 1942.0885 120.2502 -206007.1376 17716.5666 0.0000 0.0000 34068.4608 -149343.8392 297.5283 -183412.3000 -149250.2803 299.0720 -98.3260 -64.2648 557615.0892 3.8327 3.8804 PRESSURE: 3877400 -195.553 -97.7545 78.2347 -97.7554 -166.415 75.2815 78.235 75.2831 106.721 GPRESSURE: 3877400 -104.919 -108.265 38.7464 -155.804 -115.051 140.313 108.844 71.174 79.4935 PRESSAVG: 3877400 9.47689 -26.7545 -33.0148 -26.7544 -61.7711 -12.27 -33.0147 -12.27 77.9373 GPRESSAVG: 3877400 10.6863 -25.8152 -33.186 -29.8932 -61.6491 -14.6014 -30.8179 -10.6452 77.3711 TIMING: 3877400 CPU: 11663.1, 0.00296999/step Wall: 11663.1, 0.00296999/step, 0.926142 hours remaining, 209.144531 MB of memory in use. ENERGY: 3877400 763.0987 2152.8304 1938.4321 115.7014 -206455.0452 17792.9745 0.0000 0.0000 34380.6992 -149311.3089 300.2552 -183692.0082 -149218.0638 298.6298 -85.0824 -46.8256 556045.8327 8.5477 8.8028 PRESSURE: 3877600 -24.8728 -199.381 88.281 -199.382 94.0293 52.7013 88.2801 52.7023 -78.7236 GPRESSURE: 3877600 65.8313 -97.1489 70.7299 -277.659 81.5185 12.8314 59.463 32.9193 -56.5701 PRESSAVG: 3877600 42.2288 -17.5772 -6.28848 -17.5773 8.53529 20.0233 -6.28857 20.0233 -46.0197 GPRESSAVG: 3877600 43.3739 -18.4091 -3.90236 -17.5006 8.72769 19.2672 -8.47268 20.7758 -47.6725 TIMING: 3877600 CPU: 11663.7, 0.00298442/step Wall: 11663.7, 0.00298442/step, 0.930477 hours remaining, 209.144531 MB of memory in use. ENERGY: 3877600 719.3312 2137.5336 1914.8281 108.4797 -206139.7193 17770.1288 0.0000 0.0000 34120.3528 -149369.0650 297.9815 -183489.4178 -149281.3953 299.1003 -3.1890 30.2599 556109.4468 1.5815 1.4764 PRESSURE: 3877800 42.7589 37.9603 34.1598 37.9605 -61.6186 17.2471 34.1598 17.2492 -150.728 GPRESSURE: 3877800 46.7788 14.9875 18.1073 70.407 5.16219 111.319 152.194 -12.6034 -118.616 PRESSAVG: 3877800 19.1854 4.51976 -5.80067 4.51974 -6.0733 9.15575 -5.80061 9.15572 -36.3352 GPRESSAVG: 3877800 17.5043 5.58762 -6.28446 5.3028 -6.27635 7.93831 -3.9873 7.27117 -34.9407 TIMING: 3877800 CPU: 11664.3, 0.00297317/step Wall: 11664.3, 0.00297317/step, 0.926803 hours remaining, 209.269531 MB of memory in use. ENERGY: 3877800 703.9199 2081.1383 1941.4997 104.4574 -206490.1438 17702.7109 0.0000 0.0000 34392.6625 -149563.7551 300.3597 -183956.4176 -149459.0664 298.4150 -56.5293 -22.2250 556176.4640 -7.7410 -7.9043 PRESSURE: 3878000 25.4762 142.384 -65.6937 142.385 -103.329 -25.8705 -65.6918 -25.8709 -241.191 GPRESSURE: 3878000 46.0097 194.92 -82.5344 198.153 -68.4785 -11.0157 -74.4027 50.851 -197.116 PRESSAVG: 3878000 77.2887 70.0052 -54.2369 70.0052 -33.3984 -0.140819 -54.2368 -0.140899 -33.2496 GPRESSAVG: 3878000 77.7831 71.5589 -53.1021 67.4085 -33.0832 2.76195 -55.0555 0.596672 -34.0036 TIMING: 3878000 CPU: 11664.9, 0.00301046/step Wall: 11664.9, 0.00301046/step, 0.938261 hours remaining, 209.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3878000 748.7785 2107.2546 1930.2269 105.2697 -206496.5944 17820.2795 0.0000 0.0000 34297.1798 -149487.6054 299.5258 -183784.7852 -149382.2940 299.0561 -106.3480 -73.1948 556474.8579 3.5469 3.5654 PRESSURE: 3878200 -158.473 132.868 -2.49917 132.869 -342.359 57.7323 -2.49894 57.7326 59.3275 GPRESSURE: 3878200 -135.676 113.668 -1.13041 69.7812 -296.154 44.3786 88.046 30.2304 86.7157 PRESSAVG: 3878200 1.58357 53.9931 -19.8216 53.993 17.7302 31.1442 -19.8216 31.1442 -11.2221 GPRESSAVG: 3878200 1.50767 49.6281 -20.3124 57.1791 18.9339 30.2325 -18.9578 29.9399 -12.1635 TIMING: 3878200 CPU: 11665.5, 0.00298736/step Wall: 11665.5, 0.00298736/step, 0.930895 hours remaining, 209.269531 MB of memory in use. ENERGY: 3878200 745.0154 2107.8781 1918.4893 117.0236 -205990.9797 17585.9441 0.0000 0.0000 34205.7054 -149310.9239 298.7269 -183516.6293 -149214.6856 298.7154 -147.1682 -115.0383 557258.1454 2.6972 2.7594 PRESSURE: 3878400 -80.8298 130.671 27.1742 130.671 -249.201 -145.487 27.1743 -145.488 -226.452 GPRESSURE: 3878400 -41.7161 167.107 11.2867 86.0881 -152.053 -52.6951 60.6245 -152.809 -262.24 PRESSAVG: 3878400 31.334 18.5769 21.0814 18.5769 -41.7799 -0.649694 21.0815 -0.649648 -28.0339 GPRESSAVG: 3878400 30.9866 20.7188 21.4138 17.0762 -42.5474 -0.694117 18.9265 2.78544 -27.0833 TIMING: 3878400 CPU: 11666.1, 0.00304846/step Wall: 11666.1, 0.00304846/step, 0.949763 hours remaining, 209.269531 MB of memory in use. ENERGY: 3878400 742.7341 2083.5290 1935.3822 108.0266 -205940.6426 17596.2124 0.0000 0.0000 34135.6000 -149339.1583 298.1147 -183474.7583 -149240.1809 299.6601 -185.4942 -152.0031 556923.0559 -12.8266 -12.8813 PRESSURE: 3878600 72.4306 148.692 56.2629 148.692 87.044 -54.6589 56.2629 -54.6596 64.1181 GPRESSURE: 3878600 69.3994 194.836 -12.8453 50.5135 125.381 13.4591 49.3018 -58.1398 120.266 PRESSAVG: 3878600 -2.45371 31.1788 46.5388 31.1788 4.97402 -4.61193 46.5388 -4.61192 -6.50983 GPRESSAVG: 3878600 -2.99895 32.4927 45.1617 30.1053 4.85446 -4.79263 48.9897 -5.71396 -5.69896 TIMING: 3878600 CPU: 11666.7, 0.00303178/step Wall: 11666.7, 0.00303178/step, 0.944399 hours remaining, 209.269531 MB of memory in use. ENERGY: 3878600 718.4565 2064.5550 1943.1803 116.8136 -206249.2275 17786.1433 0.0000 0.0000 34208.7460 -149411.3327 298.7535 -183620.0788 -149314.5677 298.9048 74.5309 105.0157 555661.1089 -1.3298 -1.2811 PRESSURE: 3878800 -403.091 16.6778 -46.4316 16.6774 -282.442 -156.812 -46.4318 -156.811 -50.9899 GPRESSURE: 3878800 -379.603 34.3174 -112.177 45.1912 -202.494 -178.408 -75.9079 -61.4226 -57.0735 PRESSAVG: 3878800 -22.2989 8.56804 -15.125 8.56818 52.6636 21.0041 -15.125 21.0041 -36.7987 GPRESSAVG: 3878800 -21.8959 9.56669 -16.8149 7.56164 52.5781 20.2941 -12.5912 20.2827 -37.6134 TIMING: 3878800 CPU: 11667.3, 0.00304661/step Wall: 11667.3, 0.00304661/step, 0.948851 hours remaining, 209.269531 MB of memory in use. ENERGY: 3878800 791.3131 2118.4341 1921.1728 111.3182 -205818.2828 17391.0041 0.0000 0.0000 34135.0246 -149350.0158 298.1097 -183485.0404 -149248.8535 299.0548 -245.5076 -213.0571 557810.7336 -2.1447 -2.3104 PRESSURE: 3879000 -113.866 -23.5569 38.8872 -23.557 -28.4371 -118.811 38.8883 -118.812 242.264 GPRESSURE: 3879000 -64.4331 9.77661 86.0023 -107.872 -52.362 -134.584 30.8885 -167.602 310.154 PRESSAVG: 3879000 -3.94778 37.4496 -0.502278 37.4496 22.211 24.1897 -0.502213 24.1897 -15.704 GPRESSAVG: 3879000 -4.23824 35.4909 1.91019 38.0716 23.0809 24.1509 -3.44569 25.2168 -16.0491 TIMING: 3879000 CPU: 11667.9, 0.00300903/step Wall: 11667.9, 0.00300903/step, 0.936979 hours remaining, 209.269531 MB of memory in use. ENERGY: 3879000 747.5424 2085.5660 1929.9092 109.0911 -206213.0716 17753.6320 0.0000 0.0000 34382.9548 -149204.3761 300.2749 -183587.3308 -149105.1917 299.1695 33.3205 64.4528 557305.8462 0.8531 0.9312 PRESSURE: 3879200 -68.6788 141.837 -11.3423 141.836 66.3828 52.4059 -11.341 52.406 -195.307 GPRESSURE: 3879200 -88.9779 149.224 17.3632 134.512 109.911 52.3385 -103.508 20.439 -119.405 PRESSAVG: 3879200 -35.8413 -14.1662 -18.3089 -14.1662 64.144 -51.4183 -18.3088 -51.4183 -32.0098 GPRESSAVG: 3879200 -36.3893 -13.3626 -18.7653 -12.7096 63.5651 -50.6241 -18.4273 -51.3761 -31.6615 TIMING: 3879200 CPU: 11668.5, 0.00297425/step Wall: 11668.5, 0.00297425/step, 0.925982 hours remaining, 209.269531 MB of memory in use. ENERGY: 3879200 727.6711 2081.1031 1929.1587 118.6457 -206404.2118 17931.2537 0.0000 0.0000 34243.2715 -149373.1080 299.0550 -183616.3795 -149273.6199 299.4487 -65.8676 -32.8239 559621.0214 -1.2357 -1.4952 PRESSURE: 3879400 -134.723 -114.717 56.0306 -114.716 -227.994 -13.8511 56.0298 -13.8515 -23.9767 GPRESSURE: 3879400 -134.651 -98.7213 91.6756 -168.23 -158.485 -40.7043 45.5972 -16.9243 -8.44916 PRESSAVG: 3879400 -41.3345 -26.142 13.55 -26.142 44.5523 -24.6296 13.55 -24.6297 4.54171 GPRESSAVG: 3879400 -41.0937 -29.4753 13.5114 -23.9499 43.9881 -22.8199 13.1219 -25.4759 4.70934 TIMING: 3879400 CPU: 11669.1, 0.00299144/step Wall: 11669.1, 0.00299144/step, 0.931169 hours remaining, 209.269531 MB of memory in use. ENERGY: 3879400 752.3437 2133.0711 1925.1143 103.8866 -206126.2262 17630.8757 0.0000 0.0000 34246.7222 -149334.2126 299.0851 -183580.9348 -149235.3103 298.9790 -128.8982 -100.5283 558809.9704 2.5865 2.5346 PRESSURE: 3879600 -273.969 -138.372 66.9268 -138.372 -131.055 2.98849 66.9267 2.98579 -416.941 GPRESSURE: 3879600 -236.509 -172.763 102.199 -122.159 -144.631 -14.7435 83.8081 -36.1943 -349.626 PRESSAVG: 3879600 31.8481 -18.8061 35.7694 -18.8061 -24.9462 21.8093 35.7694 21.8092 3.83016 GPRESSAVG: 3879600 32.9995 -17.4721 35.677 -20.6176 -25.3088 20.0135 36.8296 20.0835 3.04324 TIMING: 3879600 CPU: 11669.7, 0.00300631/step Wall: 11669.7, 0.00300631/step, 0.935629 hours remaining, 209.269531 MB of memory in use. ENERGY: 3879600 775.2585 2132.4241 1908.4939 109.0628 -206054.2175 17624.7377 0.0000 0.0000 34355.4765 -149148.7641 300.0349 -183504.2406 -149056.3528 299.7750 -273.9884 -243.5886 559890.4810 3.5774 3.5780 PRESSURE: 3879800 -227.407 -74.7257 27.839 -74.7257 -232.883 -111.834 27.8377 -111.834 -48.7037 GPRESSURE: 3879800 -200.469 -1.58702 -40.0282 -77.9623 -180.395 -175.505 12.6614 -109.906 -32.6692 PRESSAVG: 3879800 -42.2571 -76.9072 6.43599 -76.9072 41.6819 -48.063 6.43597 -48.063 18.7475 GPRESSAVG: 3879800 -42.8211 -75.7853 6.16092 -76.9539 42.6382 -47.9923 4.71853 -47.1721 18.3779 TIMING: 3879800 CPU: 11670.3, 0.00299449/step Wall: 11670.3, 0.00299449/step, 0.931786 hours remaining, 209.269531 MB of memory in use. ENERGY: 3879800 786.7311 2162.5450 1939.8109 112.9197 -206412.2572 17784.1208 0.0000 0.0000 34575.1596 -149050.9700 301.9535 -183626.1296 -148951.4208 300.5109 -169.6645 -137.8444 558404.9964 6.0575 6.0650 PRESSURE: 3880000 -44.2201 -209.844 -74.6803 -209.845 56.3479 -177.915 -74.681 -177.915 108.271 GPRESSURE: 3880000 -39.264 -257.5 -134.414 -167.693 90.9128 -115.351 -57.2721 -177.671 154.753 PRESSAVG: 3880000 -59.3742 -36.082 -86.0448 -36.0819 -24.7297 -24.1078 -86.0448 -24.1079 42.6963 GPRESSAVG: 3880000 -59.1686 -37.1808 -87.0742 -34.9219 -25.9255 -23.8136 -83.4057 -23.3848 43.7429 TIMING: 3880000 CPU: 11670.9, 0.00301865/step Wall: 11670.9, 0.00301865/step, 0.939134 hours remaining, 209.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3880000 731.4802 2132.7499 1922.9478 110.6074 -206257.8030 17895.2898 0.0000 0.0000 34389.7981 -149074.9297 300.3347 -183464.7278 -148975.3285 300.4218 40.1329 68.8005 557681.7310 -13.8026 -13.7837 PRESSURE: 3880200 -16.3423 -27.8776 -266.049 -27.877 -189.079 -66.131 -266.05 -66.1322 252.171 GPRESSURE: 3880200 41.925 -35.7859 -205.634 -78.5627 -143.988 -88.8728 -264.858 -32.3902 240.552 PRESSAVG: 3880200 22.669 2.68667 -59.3576 2.68674 8.78942 -13.4173 -59.3576 -13.4173 -43.9474 GPRESSAVG: 3880200 22.7965 3.67357 -59.2108 0.772339 10.8721 -15.5598 -59.8962 -13.6022 -45.7738 TIMING: 3880200 CPU: 11671.5, 0.00299847/step Wall: 11671.5, 0.00299847/step, 0.932692 hours remaining, 209.269531 MB of memory in use. ENERGY: 3880200 749.3893 2086.3994 1938.1974 123.9494 -206178.7632 17886.5793 0.0000 0.0000 34466.2781 -148927.9703 301.0026 -183394.2484 -148824.2648 300.3712 15.5830 46.1630 558370.4058 -4.1630 -4.0351 LDB: ============= START OF LOAD BALANCING ============== 11675 LDB: ============== END OF LOAD BALANCING =============== 11675 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11675 LDB: ============= START OF LOAD BALANCING ============== 11675.3 LDB: Largest compute 4802 load 0.029472 is 24.9% of average load 0.118237 LDB: Average compute 0.001722 is 1.5% of average load 0.118237 LDB: TIME 11675.3 LOAD: AVG 0.118237 MAX 0.209666 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 11675.3 LOAD: AVG 0.118237 MAX 0.209666 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.258 MB LDB: TIME 11675.3 LOAD: AVG 0.118237 MAX 0.209666 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.258 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11675.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11675.3 PRESSURE: 3880400 247.258 -13.6262 -75.315 -13.6268 -9.39694 -16.7086 -75.3148 -16.7075 239.865 GPRESSURE: 3880400 291.048 11.8957 -174.468 -55.4874 -10.5622 0.0908952 26.2074 38.2002 297.673 PRESSAVG: 3880400 -9.24237 2.45636 -45.4829 2.45642 -35.6615 38.9782 -45.4828 38.9782 42.7266 GPRESSAVG: 3880400 -10.3076 0.77088 -45.1776 3.85511 -37.2042 42.9808 -45.1944 39.0024 45.0692 TIMING: 3880400 CPU: 11672.1, 0.00305467/step Wall: 11672.1, 0.00305467/step, 0.950003 hours remaining, 210.011719 MB of memory in use. ENERGY: 3880400 726.9479 2121.0830 1946.6546 115.9876 -206076.1482 17801.3306 0.0000 0.0000 34475.6135 -148888.5311 301.0841 -183364.1446 -148794.1005 300.1882 159.2419 192.7196 556139.1257 -0.7258 -0.8142 PRESSURE: 3880600 -139.488 -64.8229 31.3569 -64.8227 -15.9274 187.508 31.356 187.506 -316.419 GPRESSURE: 3880600 -60.7308 -53.8899 11.4898 -43.8245 -30.5548 210.755 -11.6111 141.777 -277.981 PRESSAVG: 3880600 5.67828 52.5189 19.6132 52.5189 -63.28 -7.72993 19.6132 -7.72996 46.3584 GPRESSAVG: 3880600 6.79895 52.8114 20.808 50.2435 -63.5243 -9.31783 18.7684 -7.96243 45.3777 TIMING: 3880600 CPU: 11672.7, 0.00299919/step Wall: 11672.7, 0.00299919/step, 0.932583 hours remaining, 210.472656 MB of memory in use. ENERGY: 3880600 745.9026 2095.7836 1936.4110 116.5989 -205593.1510 17574.7412 0.0000 0.0000 34407.9548 -148715.7589 300.4932 -183123.7137 -148613.2785 300.6501 -157.2783 -123.0888 559391.3777 -3.7478 -3.7825 PRESSURE: 3880800 -121.916 -175.734 327.437 -175.734 160.387 -2.72596 327.437 -2.72627 191.211 GPRESSURE: 3880800 -77.4522 -209.401 305.004 -248.528 198.2 4.2545 253.059 -56.418 205.198 PRESSAVG: 3880800 -36.5899 -28.5206 -7.39001 -28.5206 -53.1435 18.2465 -7.39008 18.2466 90.6938 GPRESSAVG: 3880800 -37.5136 -28.0619 -8.90954 -26.112 -52.4954 18.0142 -7.20775 17.0724 90.606 TIMING: 3880800 CPU: 11673.3, 0.00298095/step Wall: 11673.3, 0.00298096/step, 0.926746 hours remaining, 210.472656 MB of memory in use. ENERGY: 3880800 759.9847 2115.4786 1932.0559 107.2449 -206052.4905 17943.5583 0.0000 0.0000 34269.5545 -148924.6137 299.2845 -183194.1681 -148826.7864 300.9605 76.5609 108.6486 556649.4874 0.3201 0.1990 PRESSURE: 3881000 155.035 -134.999 159.157 -134.999 -8.46969 63.0752 159.158 63.0745 -324.61 GPRESSURE: 3881000 248.186 -170.406 139.959 -7.10789 -10.1862 84.4263 159.753 -9.01487 -314.438 PRESSAVG: 3881000 -0.164603 -53.3488 26.0658 -53.3487 12.6282 9.61839 26.0658 9.61835 -5.69615 GPRESSAVG: 3881000 -0.354976 -53.6309 26.4003 -55.0313 13.361 9.60806 26.6938 11.6285 -6.20278 TIMING: 3881000 CPU: 11673.9, 0.00301529/step Wall: 11673.9, 0.00301529/step, 0.937253 hours remaining, 210.472656 MB of memory in use. ENERGY: 3881000 742.9095 2130.7465 1924.8770 133.9334 -205773.4662 17639.6744 0.0000 0.0000 34155.5790 -149045.7465 298.2892 -183201.3254 -148948.2854 300.2751 -59.3481 -25.4795 557292.0953 2.2558 2.2678 PRESSURE: 3881200 -386.715 -64.6897 118.674 -64.6919 -227.641 -18.9151 118.674 -18.9154 -617.252 GPRESSURE: 3881200 -419.504 -52.4916 164.123 -34.2068 -244.781 -49.4852 138.514 0.157019 -455.962 PRESSAVG: 3881200 0.221551 20.6093 70.9007 20.6092 -12.4135 -11.9109 70.9007 -11.9109 26.457 GPRESSAVG: 3881200 0.331639 19.5592 73.6024 20.9111 -13.24 -10.4579 66.9439 -11.5706 27.2678 TIMING: 3881200 CPU: 11674.5, 0.00300144/step Wall: 11674.5, 0.00300144/step, 0.932782 hours remaining, 210.472656 MB of memory in use. ENERGY: 3881200 796.0654 2017.3349 1944.0325 113.6647 -205341.5819 17135.1264 0.0000 0.0000 34304.8663 -149030.4916 299.5929 -183335.3579 -148933.3783 299.5424 -410.5361 -373.4159 556976.7274 4.7550 4.7865 PRESSURE: 3881400 -161.783 -58.7812 67.8544 -58.7813 38.6625 -135.776 67.8549 -135.777 -315.38 GPRESSURE: 3881400 -77.5978 -74.2033 75.2948 -99.7526 46.5738 -169.103 -80.9687 -147.646 -322.759 PRESSAVG: 3881400 -42.0746 1.08189 1.94845 1.08198 83.6306 -65.6881 1.94841 -65.6878 -22.855 GPRESSAVG: 3881400 -41.2623 1.66081 1.39744 2.37143 82.5449 -66.5501 3.88208 -65.318 -22.6169 TIMING: 3881400 CPU: 11675.1, 0.00296749/step Wall: 11675.1, 0.00296749/step, 0.922064 hours remaining, 210.472656 MB of memory in use. ENERGY: 3881400 778.5862 2039.5655 1946.1915 113.1115 -205700.0919 17472.3027 0.0000 0.0000 34137.2402 -149213.0943 298.1290 -183350.3345 -149110.4083 298.6302 -146.1667 -117.9277 556464.1503 6.2337 6.2219 PRESSURE: 3881600 237.181 10.2765 -22.6657 10.2743 60.5079 7.40508 -22.666 7.40441 -54.0746 GPRESSURE: 3881600 252.323 38.3333 -105.984 -49.2061 113.243 47.2783 -19.7802 -20.1559 -21.4976 PRESSAVG: 3881600 -19.0484 -44.1005 36.8032 -44.1005 49.1164 27.3875 36.8033 27.3876 -42.4523 GPRESSAVG: 3881600 -19.1926 -44.0405 34.8031 -43.8808 49.6587 27.535 36.6316 26.708 -42.2896 TIMING: 3881600 CPU: 11675.7, 0.0029659/step Wall: 11675.7, 0.0029659/step, 0.921406 hours remaining, 210.472656 MB of memory in use. ENERGY: 3881600 751.6092 2025.8998 1907.7955 106.3611 -206363.0173 17997.1892 0.0000 0.0000 34299.4445 -149274.7180 299.5456 -183574.1626 -149176.0571 299.4777 81.2046 114.6895 556925.6126 -4.1281 -3.9411 PRESSURE: 3881800 166.099 100.297 94.3692 100.297 50.8054 138.233 94.3698 138.232 -270.021 GPRESSURE: 3881800 225.955 89.889 128.979 95.2554 23.3177 182.801 100.565 69.6494 -211.071 PRESSAVG: 3881800 -1.46742 -34.9773 61.0754 -34.9773 -29.0357 54.688 61.0755 54.6881 31.7956 GPRESSAVG: 3881800 -2.23952 -36.2242 60.5799 -35.2144 -28.9067 54.1535 61.4794 54.764 31.7979 TIMING: 3881800 CPU: 11676.3, 0.0029993/step Wall: 11676.3, 0.0029993/step, 0.931615 hours remaining, 210.472656 MB of memory in use. ENERGY: 3881800 756.6939 2059.3799 1925.2684 105.2961 -205982.0400 17761.9037 0.0000 0.0000 34016.1312 -149357.3668 297.0713 -183373.4980 -149264.8757 298.8681 -17.7053 12.7339 556924.5196 0.4308 0.2172 PRESSURE: 3882000 65.6198 178.484 123.448 178.483 83.4392 -88.7556 123.449 -88.7555 -92.1536 GPRESSURE: 3882000 12.5744 196.141 129.264 243.386 144.677 -47.6235 43.8466 -44.9268 2.23554 PRESSAVG: 3882000 -39.0665 -20.3561 62.9589 -20.3561 25.4076 16.0632 62.959 16.0631 -13.3642 GPRESSAVG: 3882000 -39.4948 -18.4791 64.5862 -19.4516 26.0739 16.6132 62.3824 16.1361 -13.5111 TIMING: 3882000 CPU: 11676.9, 0.00298898/step Wall: 11676.9, 0.00298898/step, 0.928245 hours remaining, 210.472656 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: 3882000 686.7372 2093.8032 1914.5413 111.2675 -206223.5338 17794.7215 0.0000 0.0000 34309.4626 -149313.0006 299.6331 -183622.4631 -149219.8951 298.6761 18.9685 53.1623 556482.5777 -9.0077 -8.9773 PRESSURE: 3882200 -181.686 -19.8151 -69.8367 -19.8164 -265.176 -16.7192 -69.8357 -16.7176 -76.6706 GPRESSURE: 3882200 -115.373 35.6879 -61.7304 -119.978 -227.265 20.0904 -44.3175 -74.5706 -84.3525 PRESSAVG: 3882200 -48.7775 -57.0419 -7.77027 -57.0418 -2.16233 -4.76681 -7.77028 -4.76668 -1.57009 GPRESSAVG: 3882200 -48.8583 -58.5769 -7.95197 -58.8251 -2.55946 -4.42972 -9.84028 -5.78246 -1.59507 TIMING: 3882200 CPU: 11677.5, 0.00296432/step Wall: 11677.5, 0.00296432/step, 0.920421 hours remaining, 210.472656 MB of memory in use. ENERGY: 3882200 732.4258 2085.7584 1947.6928 116.4244 -205662.5409 17482.1581 0.0000 0.0000 34080.6650 -149217.4165 297.6349 -183298.0815 -149120.4290 298.9621 -174.5108 -142.3301 558010.6605 -17.5033 -17.6709 PRESSURE: 3882400 -131.384 -54.638 -262.169 -54.6355 20.4218 5.87231 -262.17 5.87159 -146.503 GPRESSURE: 3882400 -61.0067 -6.62057 -252.287 17.7095 -1.49345 -21.4699 -205.647 54.6936 -97.5536 PRESSAVG: 3882400 -37.3213 -48.5873 -20.6757 -48.5872 11.1837 58.2926 -20.6758 58.2926 11.6498 GPRESSAVG: 3882400 -37.4304 -48.5326 -20.0076 -46.2691 10.0205 58.4498 -18.3166 58.431 12.9358 TIMING: 3882400 CPU: 11678.1, 0.00296575/step Wall: 11678.1, 0.00296575/step, 0.920702 hours remaining, 210.472656 MB of memory in use. ENERGY: 3882400 750.2980 2114.5350 1943.3614 98.5170 -205988.4262 17530.3339 0.0000 0.0000 34431.5370 -149119.8438 300.6992 -183551.3808 -149018.6666 299.9522 -85.8220 -53.3513 557344.1371 -4.8293 -4.8247 PRESSURE: 3882600 -267.977 38.6951 31.8872 38.6953 65.1181 -50.4262 31.8881 -50.427 350.59 GPRESSURE: 3882600 -173.406 70.2133 57.2532 69.9811 61.7693 -117.261 14.4864 -47.8132 362.563 PRESSAVG: 3882600 -43.2648 -60.3618 -52.5561 -60.3618 45.0305 -5.31489 -52.5561 -5.31497 12.5253 GPRESSAVG: 3882600 -42.3522 -59.7819 -53.591 -62.1793 46.2966 -5.90678 -52.661 -5.08788 10.0545 TIMING: 3882600 CPU: 11678.7, 0.00299391/step Wall: 11678.7, 0.00299391/step, 0.929276 hours remaining, 210.472656 MB of memory in use. ENERGY: 3882600 728.9318 2089.3499 1938.0791 119.7713 -206150.0384 17832.1133 0.0000 0.0000 34378.7176 -149063.0755 300.2379 -183441.7931 -148969.1740 299.9554 49.2436 83.6422 556709.9542 4.7637 4.6663 PRESSURE: 3882800 185.376 42.3497 166.936 42.3501 -57.0156 84.4886 166.934 84.4875 112.005 GPRESSURE: 3882800 191.497 103.699 142.994 38.049 -25.2949 40.7292 144.097 115.585 189.661 PRESSAVG: 3882800 -12.9304 9.31334 -5.81054 9.3134 -63.192 5.46571 -5.8105 5.46564 43.9913 GPRESSAVG: 3882800 -12.7431 9.62829 -4.39854 9.83892 -64.87 5.7166 -6.83828 7.08007 45.435 TIMING: 3882800 CPU: 11679.3, 0.00298401/step Wall: 11679.3, 0.00298401/step, 0.926037 hours remaining, 210.542969 MB of memory in use. ENERGY: 3882800 728.1305 2087.7099 1917.7602 98.6928 -206235.6232 17845.4086 0.0000 0.0000 34343.2316 -149214.6896 299.9280 -183557.9212 -149122.3899 300.1434 80.1218 118.6209 557846.9536 -10.7104 -10.7260 PRESSURE: 3883000 -148.539 64.086 163.42 64.0861 253.502 81.0187 163.42 81.0188 69.4936 GPRESSURE: 3883000 -102.234 85.9885 193.254 22.7546 279.103 100.055 156.46 91.5743 90.658 PRESSAVG: 3883000 -33.7925 -22.4672 41.8438 -22.4672 -12.5938 -59.349 41.8439 -59.3489 -6.9402 GPRESSAVG: 3883000 -34.7967 -20.9308 39.3468 -25.9867 -11.3965 -60.0706 42.2887 -62.0862 -7.36636 TIMING: 3883000 CPU: 11679.9, 0.00298705/step Wall: 11679.9, 0.00298705/step, 0.926815 hours remaining, 210.542969 MB of memory in use. ENERGY: 3883000 753.9543 2069.6590 1933.3242 111.6397 -206486.9158 17966.3987 0.0000 0.0000 34374.3933 -149277.5466 300.2001 -183651.9399 -149179.6147 299.4273 58.1522 89.1757 556207.3928 -17.7755 -17.8532 PRESSURE: 3883200 152.698 31.2203 -7.97865 31.2215 52.2231 87.0433 -7.97904 87.0438 -16.1915 GPRESSURE: 3883200 234.078 -64.3817 76.9936 34.8359 33.1366 49.6258 -29.9194 123.69 33.8138 PRESSAVG: 3883200 4.9373 -3.70039 4.3502 -3.70027 20.833 18.0775 4.35018 18.0775 -28.3944 GPRESSAVG: 3883200 4.82898 -3.97307 7.3097 -0.621206 21.8866 18.6653 3.98447 21.239 -29.5109 TIMING: 3883200 CPU: 11680.5, 0.00298677/step Wall: 11680.5, 0.00298677/step, 0.926562 hours remaining, 210.542969 MB of memory in use. ENERGY: 3883200 743.0922 2071.3822 1959.6103 104.5560 -205813.5187 17759.9950 0.0000 0.0000 34065.8118 -149109.0711 297.5052 -183174.8829 -149012.1279 299.9208 62.9100 100.3427 556318.4659 -0.8747 -0.9318 PRESSURE: 3883400 72.2158 49.0179 -110.88 49.0178 42.5918 -30.2698 -110.879 -30.2679 180.457 GPRESSURE: 3883400 137.187 62.9683 -83.8583 -3.97963 -6.24845 -59.1603 -125.168 -70.9869 256.669 PRESSAVG: 3883400 28.5566 12.0355 10.7891 12.0355 29.5669 32.4225 10.7891 32.4224 -79.4239 GPRESSAVG: 3883400 28.1053 10.6048 8.82686 13.5863 28.5237 30.9036 11.5233 30.7542 -78.0109 TIMING: 3883400 CPU: 11681.1, 0.00298471/step Wall: 11681.1, 0.00298471/step, 0.925759 hours remaining, 210.542969 MB of memory in use. ENERGY: 3883400 732.0104 2085.7547 1915.2174 119.2193 -206107.5883 17880.6554 0.0000 0.0000 34357.1079 -149017.6234 300.0492 -183374.7312 -148920.6373 299.6470 98.4217 129.2026 556756.5088 -7.1001 -7.1273 PRESSURE: 3883600 250.404 -48.42 20.8199 -48.4214 285.416 56.7043 20.8207 56.7052 139.902 GPRESSURE: 3883600 250.092 -82.1695 12.156 -13.1124 354.885 45.1019 -12.9817 65.3559 174.589 PRESSAVG: 3883600 -51.0396 8.77756 -66.6857 8.77756 -32.4315 6.49492 -66.6857 6.49482 28.9519 GPRESSAVG: 3883600 -50.9805 10.1229 -66.2202 7.07185 -31.1973 6.68633 -66.6537 6.88928 27.2961 TIMING: 3883600 CPU: 11681.7, 0.00298052/step Wall: 11681.7, 0.00298052/step, 0.924292 hours remaining, 210.542969 MB of memory in use. ENERGY: 3883600 729.5188 2123.3542 1916.1908 102.2172 -206499.5661 18141.6211 0.0000 0.0000 34326.5458 -149160.1182 299.7823 -183486.6640 -149064.8507 299.3719 225.2408 259.8551 557174.7014 -18.1731 -18.2939 PRESSURE: 3883800 -52.0663 11.7057 -35.413 11.7062 236.579 -73.3542 -35.4127 -73.3577 -240.422 GPRESSURE: 3883800 15.2068 85.9904 -8.50624 48.3203 273.788 39.7808 -24.7288 -129.681 -241.596 PRESSAVG: 3883800 -41.7613 -24.869 -61.6098 -24.869 46.8245 29.8547 -61.6097 29.8547 -45.0267 GPRESSAVG: 3883800 -42.097 -26.8236 -62.4854 -23.255 46.5962 29.5847 -61.5552 30.4944 -44.5003 TIMING: 3883800 CPU: 11682.3, 0.00296431/step Wall: 11682.3, 0.00296431/step, 0.919102 hours remaining, 210.542969 MB of memory in use. ENERGY: 3883800 732.2190 2059.1144 1919.7715 98.9872 -206074.2602 17756.7468 0.0000 0.0000 34164.0305 -149343.3908 298.3630 -183507.4213 -149255.2530 299.1960 -18.6364 15.7997 558257.1490 -13.3212 -13.3337 PRESSURE: 3884000 -189.286 -101.047 -95.6119 -101.046 209.015 102.953 -95.6103 102.955 -37.0419 GPRESSURE: 3884000 -132.05 -49.3279 -76.6503 -131.869 209.535 76.4799 -41.4028 84.5313 16.6298 PRESSAVG: 3884000 5.9081 11.2551 -12.5862 11.2551 72.5446 26.82 -12.5863 26.82 -40.883 GPRESSAVG: 3884000 5.5438 12.9213 -13.0972 9.41475 72.107 27.5554 -10.8158 24.7731 -40.1667 TIMING: 3884000 CPU: 11682.8, 0.00296041/step Wall: 11682.8, 0.00296041/step, 0.917726 hours remaining, 210.542969 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: 3884000 768.6283 2016.9111 1926.0538 110.3619 -206538.8573 18126.5551 0.0000 0.0000 34161.9639 -149428.3833 298.3449 -183590.3472 -149327.0845 298.0916 -5.7712 31.3715 558363.3487 12.5232 12.4947 PRESSURE: 3884200 67.3152 30.562 -59.8425 30.5613 -101.854 -9.14702 -59.8434 -9.14729 6.85802 GPRESSURE: 3884200 121.67 47.5605 -57.5374 33.5093 -85.3588 -84.4573 -22.3924 -43.6764 41.4703 PRESSAVG: 3884200 -35.7366 20.0243 9.14243 20.0243 54.0893 -31.0959 9.14234 -31.0958 -39.4818 GPRESSAVG: 3884200 -35.4966 20.4327 9.70932 19.4441 52.8478 -32.3582 5.75442 -29.6964 -37.9634 TIMING: 3884200 CPU: 11683.4, 0.00297375/step Wall: 11683.4, 0.00297375/step, 0.921697 hours remaining, 210.542969 MB of memory in use. ENERGY: 3884200 738.2173 2053.1222 1925.9744 113.9866 -206214.7966 17898.2777 0.0000 0.0000 34126.6944 -149358.5240 298.0369 -183485.2184 -149261.3230 298.8244 -9.2268 25.9273 558267.8432 -7.0431 -6.8707 LDB: ============= START OF LOAD BALANCING ============== 11687 LDB: ============== END OF LOAD BALANCING =============== 11687 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11687 LDB: ============= START OF LOAD BALANCING ============== 11687.3 LDB: Largest compute 4802 load 0.028352 is 24.0% of average load 0.118207 LDB: Average compute 0.001718 is 1.5% of average load 0.118207 LDB: TIME 11687.3 LOAD: AVG 0.118207 MAX 0.213093 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.961 MB LDB: TIME 11687.3 LOAD: AVG 0.118207 MAX 0.213093 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.164 MB LDB: TIME 11687.3 LOAD: AVG 0.118207 MAX 0.213093 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.164 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11687.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11687.3 PRESSURE: 3884400 -90.8724 -63.1088 -34.8898 -63.1095 -121.33 -71.1014 -34.8903 -71.1013 71.5866 GPRESSURE: 3884400 -31.3908 -44.6142 -1.02928 -131.237 -36.2848 -98.8205 1.0027 -56.4751 36.6397 PRESSAVG: 3884400 39.2838 29.8703 17.6206 29.8702 -2.59751 18.9859 17.6206 18.986 -25.0752 GPRESSAVG: 3884400 39.3975 28.205 17.9254 32.14 -0.878617 18.753 18.1036 20.3858 -26.6069 TIMING: 3884400 CPU: 11684.1, 0.00305492/step Wall: 11684.1, 0.00305492/step, 0.946684 hours remaining, 208.582031 MB of memory in use. ENERGY: 3884400 708.5736 2058.1095 1939.8309 108.2310 -206150.0712 17771.7537 0.0000 0.0000 34192.0318 -149371.5409 298.6075 -183563.5726 -149273.9747 298.1764 -46.8719 -10.3453 558411.7324 3.8704 3.9706 PRESSURE: 3884600 -336.724 224.324 -84.1382 224.324 -172.856 195.511 -84.1356 195.511 -294.587 GPRESSURE: 3884600 -324.407 241.758 -72.1455 230.672 -141.03 191.147 -42.6625 180.161 -247.641 PRESSAVG: 3884600 -5.82675 47.8828 12.4409 47.8828 59.3197 13.0985 12.441 13.0985 -45.9565 GPRESSAVG: 3884600 -6.16267 49.499 11.2946 46.0153 58.6261 13.3724 14.5398 13.0896 -45.3503 TIMING: 3884600 CPU: 11684.7, 0.00299452/step Wall: 11684.7, 0.00299452/step, 0.927801 hours remaining, 208.582031 MB of memory in use. ENERGY: 3884600 706.2158 2111.1893 1907.6698 105.7252 -205789.3776 17407.3833 0.0000 0.0000 34249.7990 -149301.3953 299.1120 -183551.1943 -149210.7704 298.9549 -268.0556 -237.6928 558215.1155 2.5121 2.3710 PRESSURE: 3884800 -144.382 -54.4753 106.494 -54.4764 -61.9366 101.015 106.493 101.016 -231.102 GPRESSURE: 3884800 -106.954 -58.9159 149.751 4.88006 -21.4618 4.21337 9.03642 110 -206.694 PRESSAVG: 3884800 35.4725 50.1725 -27.5711 50.1725 -61.4512 -1.61741 -27.571 -1.61736 27.284 GPRESSAVG: 3884800 35.4571 49.4083 -26.4173 51.4531 -60.871 -1.72249 -28.2386 -2.73928 26.7948 TIMING: 3884800 CPU: 11685.2, 0.00298658/step Wall: 11685.2, 0.00298658/step, 0.925175 hours remaining, 208.582031 MB of memory in use. ENERGY: 3884800 759.9983 2125.1369 1940.3712 105.7261 -206062.7295 17619.7396 0.0000 0.0000 34383.4166 -149128.3410 300.2789 -183511.7575 -149035.4418 299.0156 -145.8070 -111.7032 557057.1459 0.4351 0.4603 PRESSURE: 3885000 -28.3288 126.861 27.8089 126.86 -200.657 -36.2167 27.807 -36.2166 -3.01919 GPRESSURE: 3885000 -29.502 171.066 36.3932 55.6105 -152.652 -28.7708 -10.439 -110.584 48.2218 PRESSAVG: 3885000 -26.6722 36.2148 -12.9135 36.2148 -25.0587 19.7181 -12.9135 19.7179 30.1021 GPRESSAVG: 3885000 -26.9742 37.5717 -13.0733 34.0252 -24.9408 21.1661 -14.4363 18.2966 30.0235 TIMING: 3885000 CPU: 11685.9, 0.00301984/step Wall: 11685.9, 0.00301984/step, 0.935312 hours remaining, 208.582031 MB of memory in use. ENERGY: 3885000 759.1522 2071.2603 1948.5167 114.1976 -206238.2162 17769.4718 0.0000 0.0000 34575.2404 -149000.3773 301.9542 -183575.6177 -148909.4497 299.5545 -77.3351 -44.6440 557976.5501 -7.2096 -7.2971 PRESSURE: 3885200 -215.177 -138.67 -1.39845 -138.669 -303.62 -166.873 -1.39802 -166.873 -265.43 GPRESSURE: 3885200 -152.547 -140.298 10.9379 -46.4569 -298.065 -255.159 -81.6554 -101.061 -245.269 PRESSAVG: 3885200 10.5928 -29.2057 -32.6883 -29.2056 -34.8487 -2.50627 -32.6884 -2.50625 22.6293 GPRESSAVG: 3885200 11.1357 -29.5701 -33.1496 -29.525 -35.708 -3.34669 -32.6527 -0.0461431 22.8544 TIMING: 3885200 CPU: 11686.4, 0.00298887/step Wall: 11686.4, 0.00298887/step, 0.925554 hours remaining, 208.632812 MB of memory in use. ENERGY: 3885200 755.1617 2048.5202 1938.4792 110.9071 -205746.7683 17497.2412 0.0000 0.0000 34390.7706 -149005.6883 300.3432 -183396.4589 -148911.2434 299.6742 -261.4090 -231.9603 558106.6517 -0.5422 -0.5726 PRESSURE: 3885400 290.931 -26.6376 145.139 -26.6369 -101.303 -134.357 145.139 -134.357 -129.456 GPRESSURE: 3885400 337.112 74.144 168.208 -81.95 -96.973 -202.865 66.5739 -39.4864 -90.0204 PRESSAVG: 3885400 -49.3332 22.9501 28.0659 22.95 44.3268 -8.21903 28.066 -8.21899 9.062 GPRESSAVG: 3885400 -48.5723 21.1167 28.4793 25.4921 43.6315 -8.84391 29.8259 -9.26734 8.81757 TIMING: 3885400 CPU: 11687, 0.00300089/step Wall: 11687, 0.00300089/step, 0.929109 hours remaining, 208.632812 MB of memory in use. ENERGY: 3885400 772.8384 2096.2170 1961.4097 113.4246 -206223.7102 17774.6342 0.0000 0.0000 34401.8861 -149103.3001 300.4402 -183505.1863 -149009.2497 300.4225 20.0572 50.0396 556919.4837 1.3519 1.2923 PRESSURE: 3885600 -395.225 162.148 84.4851 162.147 12.0164 -161.501 84.4862 -161.5 29.7857 GPRESSURE: 3885600 -331.884 225.426 73.2034 102.795 41.6785 -184.928 89.9716 -109.925 34.4136 PRESSAVG: 3885600 -35.0746 52.1878 -21.6635 52.1878 -46.609 -34.6726 -21.6636 -34.6727 63.2353 GPRESSAVG: 3885600 -36.0108 54.5751 -21.9703 51.2798 -45.1413 -31.8925 -21.1959 -34.426 62.7375 TIMING: 3885600 CPU: 11687.6, 0.00299127/step Wall: 11687.6, 0.00299127/step, 0.925965 hours remaining, 208.835938 MB of memory in use. ENERGY: 3885600 735.0901 2051.2999 1943.7806 107.7405 -205991.8577 17589.0433 0.0000 0.0000 34427.5902 -149137.3131 300.6647 -183564.9033 -149047.7687 300.0768 -117.8076 -85.2638 557224.8098 -6.1494 -6.1382 PRESSURE: 3885800 -37.3251 28.9897 -12.3365 28.9894 169.266 123.301 -12.3375 123.3 198.325 GPRESSURE: 3885800 18.3557 30.0205 -61.2358 76.747 177.538 143.234 46.2565 135.403 233.066 PRESSAVG: 3885800 -94.2689 37.5693 35.5035 37.5693 22.4981 -12.7052 35.5035 -12.7052 65.9946 GPRESSAVG: 3885800 -94.4395 37.0008 33.7248 38.4783 21.0812 -12.5598 35.7002 -15.1785 66.4911 TIMING: 3885800 CPU: 11688.2, 0.00298857/step Wall: 11688.2, 0.00298857/step, 0.924964 hours remaining, 208.835938 MB of memory in use. ENERGY: 3885800 773.1308 2050.8811 1928.7767 114.7338 -206362.9916 17925.6868 0.0000 0.0000 34257.4076 -149312.3748 299.1785 -183569.7824 -149209.6706 299.6162 110.0887 142.9868 556095.9796 -1.9254 -2.2891 PRESSURE: 3886000 92.3691 -80.6309 91.5834 -80.631 -78.7874 143.821 91.5841 143.822 -30.1157 GPRESSURE: 3886000 89.2691 -143.814 23.5443 -80.7247 -51.0243 182.7 150.03 132.438 38.2216 PRESSAVG: 3886000 15.9079 5.48756 36.472 5.48754 -97.0513 38.1906 36.4721 38.1906 85.0468 GPRESSAVG: 3886000 17.3365 3.87004 38.3878 6.34318 -97.5593 37.6516 34.6167 39.9205 84.4914 TIMING: 3886000 CPU: 11688.8, 0.00297062/step Wall: 11688.8, 0.00297062/step, 0.919243 hours remaining, 208.835938 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: 3886000 728.2623 2133.9279 1929.2801 111.8341 -206164.0646 17705.8145 0.0000 0.0000 34142.6135 -149412.3322 298.1759 -183554.9457 -149311.4555 298.7611 -5.5114 25.4888 557983.2142 1.3012 1.4229 PRESSURE: 3886200 -203.829 -57.3591 89.4179 -57.3593 -97.0915 -4.25523 89.4199 -4.25392 76.629 GPRESSURE: 3886200 -192.857 38.7795 159.631 -131.009 -17.4166 44.672 57.5023 -75.5803 80.5146 PRESSAVG: 3886200 -28.4694 12.9115 1.09796 12.9115 59.0503 10.6376 1.09797 10.6377 -5.85659 GPRESSAVG: 3886200 -28.4143 14.034 1.58635 12.1209 59.6054 10.5619 3.37398 10.5727 -6.87795 TIMING: 3886200 CPU: 11689.4, 0.0029994/step Wall: 11689.4, 0.0029994/step, 0.927981 hours remaining, 208.835938 MB of memory in use. ENERGY: 3886200 792.3672 2187.3378 1937.5368 114.3436 -206549.8352 17966.3886 0.0000 0.0000 34160.4045 -149391.4566 298.3313 -183551.8612 -149300.3903 298.8275 -74.7638 -43.2530 557731.7535 8.2414 8.1044 PRESSURE: 3886400 -312.855 -24.1884 -22.4861 -24.1883 168.606 -50.598 -22.4859 -50.5991 -39.376 GPRESSURE: 3886400 -229.621 -36.7077 33.3472 33.7886 149.485 2.08963 -124.521 -6.42422 -12.5242 PRESSAVG: 3886400 -17.5523 17.2161 -20.1332 17.2161 -26.2912 31.03 -20.1332 31.0299 75.7503 GPRESSAVG: 3886400 -18.5619 16.1435 -22.0785 18.8191 -25.8216 30.8774 -23.223 33.0007 76.4219 TIMING: 3886400 CPU: 11690, 0.00299281/step Wall: 11690, 0.00299281/step, 0.925775 hours remaining, 208.835938 MB of memory in use. ENERGY: 3886400 791.6057 2114.6981 1941.9960 138.2828 -206296.5670 17809.5761 0.0000 0.0000 34142.2608 -149358.1475 298.1729 -183500.4083 -149257.8370 298.9367 -61.2083 -30.8869 557831.8383 10.6356 10.6795 PRESSURE: 3886600 -35.6607 128.088 -73.8987 128.091 -89.6109 25.5116 -73.9003 25.5127 78.4316 GPRESSURE: 3886600 37.9582 97.6352 -101.822 153.208 -87.5548 -40.8882 -3.17538 109.794 107.725 PRESSAVG: 3886600 -71.9799 -33.4779 -43.5912 -33.478 55.7411 24.8781 -43.5913 24.878 6.32187 GPRESSAVG: 3886600 -70.7617 -32.4781 -43.6741 -35.1093 54.0731 22.7794 -42.6893 23.6198 6.39701 TIMING: 3886600 CPU: 11690.6, 0.00298112/step Wall: 11690.6, 0.00298112/step, 0.921993 hours remaining, 208.835938 MB of memory in use. ENERGY: 3886600 715.3317 2086.7509 1969.8608 118.4572 -206155.5203 17679.5961 0.0000 0.0000 34219.0731 -149366.4504 298.8437 -183585.5235 -149271.0204 298.9003 -15.6133 19.3763 557057.3924 -3.3056 -3.4305 PRESSURE: 3886800 -19.3175 70.0327 74.7889 70.0324 43.9153 -6.12355 74.7908 -6.12339 115.75 GPRESSURE: 3886800 -52.8952 121.055 118.407 17.7677 126.47 -118.897 24.1951 114.573 162.534 PRESSAVG: 3886800 -4.5748 -32.3761 -0.145568 -32.3762 -21.0398 -4.90437 -0.145474 -4.90436 25.4924 GPRESSAVG: 3886800 -5.0179 -34.3545 1.39528 -31.6442 -20.0892 -3.0915 0.0130184 -7.99609 25.1511 TIMING: 3886800 CPU: 11691.2, 0.00300414/step Wall: 11691.2, 0.00300414/step, 0.928947 hours remaining, 208.835938 MB of memory in use. ENERGY: 3886800 762.8963 2034.0768 1929.1231 105.9277 -206321.1814 17870.6633 0.0000 0.0000 34362.5887 -149255.9055 300.0970 -183618.4942 -149156.6508 299.0465 46.7825 78.7028 557544.1519 -0.0407 0.0147 PRESSURE: 3887000 -65.9813 45.0074 13.6434 45.0072 30.2256 48.2378 13.6425 48.2359 71.9538 GPRESSURE: 3887000 33.0434 79.0137 77.4713 140.41 70.3393 11.0718 -45.8534 120.825 32.3746 PRESSAVG: 3887000 -8.87801 -19.8492 -8.43312 -19.8492 34.1909 15.5483 -8.4332 15.5483 -5.98134 GPRESSAVG: 3887000 -9.49958 -18.1234 -8.72298 -19.7501 34.1553 14.8378 -8.14038 17.9573 -5.79025 TIMING: 3887000 CPU: 11691.8, 0.00300194/step Wall: 11691.8, 0.00300194/step, 0.9281 hours remaining, 208.835938 MB of memory in use. ENERGY: 3887000 737.4310 2101.1470 1926.1732 117.0561 -206256.2320 17831.0010 0.0000 0.0000 34313.0401 -149230.3836 299.6643 -183543.4237 -149130.3719 298.9016 12.0660 45.2524 557406.0500 6.4439 6.2885 PRESSURE: 3887200 -103.983 -52.6796 -68.3119 -52.6804 194.214 -70.1597 -68.3122 -70.1594 105.531 GPRESSURE: 3887200 -42.8215 -80.5306 -168.116 -87.4642 265.032 -18.909 10.9901 -77.8077 73.854 PRESSAVG: 3887200 18.4784 -25.5187 -47.2985 -25.5187 24.044 -5.33892 -47.2986 -5.33894 1.91167 GPRESSAVG: 3887200 17.3731 -26.2205 -47.5001 -25.7488 24.0977 -4.2269 -47.368 -6.00555 2.82395 TIMING: 3887200 CPU: 11692.4, 0.00299451/step Wall: 11692.4, 0.00299451/step, 0.925636 hours remaining, 208.835938 MB of memory in use. ENERGY: 3887200 766.7696 2064.7300 1929.8682 120.5551 -206266.9485 17992.0761 0.0000 0.0000 34396.3855 -148996.5640 300.3922 -183392.9495 -148893.2034 299.7602 65.2543 98.6881 558782.6297 14.8114 14.7649 PRESSURE: 3887400 -276.074 39.3547 -78.8492 39.3555 -17.5131 1.50265 -78.8496 1.50173 -61.626 GPRESSURE: 3887400 -215.122 -17.5831 -146.949 102.708 -20.8181 -60.6063 27.627 75.0134 -8.08784 PRESSAVG: 3887400 -11.1605 9.99296 8.17658 9.99304 62.6917 -33.642 8.17657 -33.6418 -27.999 GPRESSAVG: 3887400 -9.66139 9.22036 6.99398 11.103 62.4064 -32.4388 8.86456 -35.123 -29.2688 TIMING: 3887400 CPU: 11693, 0.00301373/step Wall: 11693, 0.00301373/step, 0.931411 hours remaining, 208.835938 MB of memory in use. ENERGY: 3887400 705.5330 2065.2880 1949.3858 114.1145 -206123.6492 17670.3557 0.0000 0.0000 34533.2311 -149085.7411 301.5873 -183618.9722 -148994.0918 300.4122 -118.4045 -81.3428 559304.2292 7.8441 7.8254 PRESSURE: 3887600 30.1666 -69.1812 -55.5152 -69.1801 -97.7653 33.748 -55.5145 33.7473 225.105 GPRESSURE: 3887600 44.2104 -121.808 -58.413 -83.8332 -86.0982 62.8456 -92.3618 -12.4964 302.042 PRESSAVG: 3887600 -13.7259 -24.0216 7.92036 -24.0217 18.6503 31.8049 7.92031 31.805 -35.1746 GPRESSAVG: 3887600 -15.6361 -23.9838 9.60019 -26.3284 18.6503 28.2262 7.40793 33.94 -33.2429 TIMING: 3887600 CPU: 11693.6, 0.00304069/step Wall: 11693.6, 0.00304069/step, 0.939575 hours remaining, 208.835938 MB of memory in use. ENERGY: 3887600 748.1326 2116.0387 1918.4241 125.8631 -206071.4537 17818.2943 0.0000 0.0000 34447.4872 -148897.2137 300.8385 -183344.7009 -148798.9100 300.4841 52.5022 86.7181 557811.0634 -10.0834 -10.0763 PRESSURE: 3887800 -60.0485 123.76 -182.324 123.76 -63.263 -86.2757 -182.325 -86.2758 -16.858 GPRESSURE: 3887800 -9.62613 86.3325 -225.952 92.6613 3.24086 -81.2698 -136.427 -2.25006 -37.097 PRESSAVG: 3887800 30.2659 -32.3094 -59.5705 -32.3094 27.9686 8.9884 -59.5704 8.98843 -42.7887 GPRESSAVG: 3887800 29.9886 -33.0296 -59.4162 -31.1518 29.9655 8.46515 -59.7555 9.05096 -45.1122 TIMING: 3887800 CPU: 11694.3, 0.00303011/step Wall: 11694.3, 0.00303011/step, 0.936137 hours remaining, 208.835938 MB of memory in use. ENERGY: 3887800 756.5857 2086.8922 1918.9536 104.1672 -205739.5682 17558.0310 0.0000 0.0000 34325.3092 -148989.6293 299.7715 -183314.9385 -148894.4201 300.7263 -46.7232 -14.4941 557220.3957 5.1486 4.9473 PRESSURE: 3888000 -62.1289 -122.46 81.6561 -122.459 -190.184 74.4453 81.6565 74.4457 -140.943 GPRESSURE: 3888000 -9.41328 -85.0759 163.413 -149.955 -188.319 72.408 89.2245 26.6847 -95.9748 PRESSAVG: 3888000 -13.6918 -35.7984 -55.6205 -35.7984 -67.7221 28.818 -55.6205 28.8179 37.1779 GPRESSAVG: 3888000 -12.9507 -33.4791 -54.8905 -36.8899 -69.1497 30.7112 -55.7108 26.5511 38.3686 TIMING: 3888000 CPU: 11694.9, 0.0030213/step Wall: 11694.9, 0.0030213/step, 0.933247 hours remaining, 208.835938 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: 3888000 738.6154 2110.9049 1951.3018 118.7240 -205816.6412 17604.9998 0.0000 0.0000 34265.3186 -149026.7766 299.2475 -183292.0953 -148924.9568 299.6407 -131.0854 -97.9022 557958.8923 -14.7453 -14.5773 PRESSURE: 3888200 -217.189 -14.3467 -61.7123 -14.3459 -7.04977 -2.57647 -61.7117 -2.57726 -85.2774 GPRESSURE: 3888200 -173.801 -105.192 -66.4634 46.3068 -2.7716 -27.9717 11.3737 -7.96632 -29.1732 PRESSAVG: 3888200 -3.8671 21.2133 -38.162 21.2133 27.4246 22.4307 -38.1621 22.4306 -12.4999 GPRESSAVG: 3888200 -2.60874 21.269 -38.9506 21.0465 26.5233 21.0765 -37.1423 24.1995 -13.0912 TIMING: 3888200 CPU: 11695.5, 0.00301623/step Wall: 11695.5, 0.00301623/step, 0.931511 hours remaining, 208.835938 MB of memory in use. ENERGY: 3888200 737.8052 2108.2343 1929.7444 112.4896 -205809.8928 17568.6455 0.0000 0.0000 34180.0256 -149172.9483 298.5027 -183352.9739 -149070.3571 299.4500 -103.1720 -68.5821 557412.9526 3.6859 3.6078 LDB: ============= START OF LOAD BALANCING ============== 11699 LDB: ============== END OF LOAD BALANCING =============== 11699 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11699 LDB: ============= START OF LOAD BALANCING ============== 11699.3 LDB: Largest compute 4802 load 0.028025 is 23.7% of average load 0.118300 LDB: Average compute 0.001729 is 1.5% of average load 0.118300 LDB: TIME 11699.3 LOAD: AVG 0.1183 MAX 0.211483 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.969 MB LDB: TIME 11699.3 LOAD: AVG 0.1183 MAX 0.211483 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.172 MB LDB: TIME 11699.3 LOAD: AVG 0.1183 MAX 0.211483 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.172 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11699.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11699.3 PRESSURE: 3888400 65.1797 -61.4934 313.576 -61.4945 82.2064 -98.9469 313.577 -98.9462 13.9614 GPRESSURE: 3888400 74.9381 -115.585 298.784 -97.8665 120.537 -104.938 305.121 -149.619 69.9697 PRESSAVG: 3888400 -25.5118 21.986 -11.1464 21.9861 41.9173 26.0921 -11.1464 26.0921 -25.5107 GPRESSAVG: 3888400 -26.137 20.7259 -11.6762 21.4029 42.7661 26.0034 -10.3504 26.7351 -25.6811 TIMING: 3888400 CPU: 11696.1, 0.00305463/step Wall: 11696.1, 0.00305462/step, 0.9432 hours remaining, 210.226562 MB of memory in use. ENERGY: 3888400 736.7029 2090.2945 1950.5452 123.8897 -206052.7631 17780.7839 0.0000 0.0000 34228.8719 -149141.6750 298.9293 -183370.5469 -149048.0794 299.4253 53.7825 88.4817 556981.7504 -3.0351 -3.0174 PRESSURE: 3888600 -24.0121 -54.3474 145.447 -54.3464 -55.3619 -83.2011 145.447 -83.2007 154.616 GPRESSURE: 3888600 30.1885 -156.442 217.55 -16.9535 -10.694 -97.0111 201.577 -76.917 153.946 PRESSAVG: 3888600 15.2329 4.90072 31.1841 4.90077 0.507149 13.7927 31.184 13.7926 -36.0789 GPRESSAVG: 3888600 14.5927 4.76402 31.0438 6.3645 1.5156 14.5279 30.6041 12.6954 -36.0461 TIMING: 3888600 CPU: 11696.7, 0.00298944/step Wall: 11696.7, 0.00298944/step, 0.922907 hours remaining, 210.226562 MB of memory in use. ENERGY: 3888600 739.9882 2075.4489 1958.2991 104.6739 -206102.9978 17765.7079 0.0000 0.0000 34434.6094 -149024.2704 300.7260 -183458.8798 -148929.7081 299.4049 25.0807 57.8135 556823.8406 -6.7796 -6.6460 PRESSURE: 3888800 9.01399 19.3241 44.5684 19.3248 268.715 -63.4597 44.5693 -63.4596 -51.3511 GPRESSURE: 3888800 0.951606 -0.0568751 -17.6781 -28.4103 284.352 -101.244 203.543 -63.0471 42.1703 PRESSAVG: 3888800 -3.47994 47.1541 -2.73553 47.154 -12.8722 5.69277 -2.73556 5.69289 25.6426 GPRESSAVG: 3888800 -2.27885 46.2065 -0.88936 45.9254 -14.2873 4.2903 -3.7027 6.60029 26.2107 TIMING: 3888800 CPU: 11697.3, 0.00299065/step Wall: 11697.3, 0.00299065/step, 0.923114 hours remaining, 210.226562 MB of memory in use. ENERGY: 3888800 703.2978 2088.0889 1942.0738 117.3913 -206372.7071 17994.4910 0.0000 0.0000 34299.8872 -149227.4771 299.5494 -183527.3642 -149130.9438 299.4240 75.4592 109.1581 556444.9129 3.0968 3.2148 PRESSURE: 3889000 -63.024 -118.285 108.272 -118.286 -56.0337 47.3296 108.272 47.3293 -75.8438 GPRESSURE: 3889000 -67.8253 -150.927 107.247 -66.1156 8.94091 93.4236 55.9451 -18.6485 -40.7883 PRESSAVG: 3889000 -44.9915 -2.93287 27.2989 -2.93286 7.38625 -9.44355 27.299 -9.44356 32.9661 GPRESSAVG: 3889000 -45.1481 -3.20106 25.2605 -1.49203 7.86574 -9.09228 27.0158 -7.59607 32.5023 TIMING: 3889000 CPU: 11697.9, 0.00299645/step Wall: 11697.9, 0.00299645/step, 0.924737 hours remaining, 210.226562 MB of memory in use. ENERGY: 3889000 747.3691 2128.8969 1898.3969 99.7317 -205965.0080 17674.8733 0.0000 0.0000 34337.5165 -149078.2237 299.8781 -183415.7402 -148980.3217 299.3108 -64.9672 -33.2242 557910.3539 -1.5464 -1.5934 PRESSURE: 3889200 -161.825 -26.6407 -79.9736 -26.641 -236.117 62.1819 -79.9751 62.1827 114.787 GPRESSURE: 3889200 -149.76 -10.0013 -47.6549 -11.2226 -172.233 106.956 -118.254 56.2205 141.197 PRESSAVG: 3889200 16.5471 5.0183 17.0863 5.01828 -5.08328 41.7946 17.0864 41.7945 36.5258 GPRESSAVG: 3889200 17.4384 6.65462 19.077 3.39515 -5.49361 43.2075 16.2712 39.1951 36.0332 TIMING: 3889200 CPU: 11698.5, 0.00300478/step Wall: 11698.5, 0.00300478/step, 0.927142 hours remaining, 210.226562 MB of memory in use. ENERGY: 3889200 801.6465 2064.1817 1928.6026 120.0424 -206177.0926 17862.5795 0.0000 0.0000 34363.6334 -149036.4065 300.1062 -183400.0399 -148943.4888 299.4244 -94.3849 -60.2656 557574.1185 15.9965 15.9927 PRESSURE: 3889400 111.185 -4.08378 52.3527 -4.08291 92.5772 59.4308 52.3528 59.4307 73.8083 GPRESSURE: 3889400 238.279 -43.7964 122.461 12.6021 107.507 69.4871 -12.0765 66.6552 30.0444 PRESSAVG: 3889400 76.5819 32.9875 -6.96503 32.9874 -24.7241 14.6347 -6.96497 14.6347 -16.3461 GPRESSAVG: 3889400 77.4453 30.5498 -10.3382 34.1989 -25.4449 14.5616 -4.67755 16.1924 -16.2845 TIMING: 3889400 CPU: 11699.1, 0.00297487/step Wall: 11699.1, 0.00297487/step, 0.917748 hours remaining, 210.226562 MB of memory in use. ENERGY: 3889400 775.6829 2096.4513 1944.6332 113.0296 -206450.4869 18192.3439 0.0000 0.0000 34214.9739 -149113.3720 298.8079 -183328.3459 -149013.4759 299.8857 92.5234 125.2770 558513.4368 11.8372 11.9053 PRESSURE: 3889600 -387.195 -92.324 -89.4307 -92.3256 -185.338 69.3224 -89.4318 69.3211 -400.133 GPRESSURE: 3889600 -420.56 -71.1214 -130.521 -128.081 -77.4556 -17.5326 -48.6923 53.8144 -382.397 PRESSAVG: 3889600 38.0547 -12.7171 -5.01552 -12.7172 -6.1963 38.7778 -5.01559 38.7777 -16.3493 GPRESSAVG: 3889600 35.8866 -7.90158 -3.24582 -14.4406 -4.80452 38.2236 -3.58921 37.3031 -16.3321 TIMING: 3889600 CPU: 11699.7, 0.00299423/step Wall: 11699.7, 0.00299423/step, 0.923553 hours remaining, 210.226562 MB of memory in use. ENERGY: 3889600 756.3797 2103.7155 1946.7195 108.0830 -205503.0766 17442.5083 0.0000 0.0000 34168.2332 -148977.4375 298.3997 -183145.6707 -148883.1135 299.8533 -324.2220 -293.4710 559289.0019 5.1697 4.9167 PRESSURE: 3889800 -270.623 149.338 59.5288 149.337 -269.555 126.172 59.5277 126.172 -10.4547 GPRESSURE: 3889800 -211.252 111.968 110.156 178.3 -236.572 162.43 26.6938 41.8296 2.12264 PRESSAVG: 3889800 -6.1971 48.3645 -66.1315 48.3645 15.5602 49.9949 -66.1316 49.9949 -22.4463 GPRESSAVG: 3889800 -5.59592 46.6952 -64.9377 46.8774 14.8035 50.3066 -70.5126 49.7339 -21.3379 TIMING: 3889800 CPU: 11700.3, 0.0030047/step Wall: 11700.3, 0.0030047/step, 0.926615 hours remaining, 210.226562 MB of memory in use. ENERGY: 3889800 758.0402 2081.0269 1942.5019 118.2136 -205924.7057 17673.3965 0.0000 0.0000 34206.7515 -149144.7752 298.7361 -183351.5266 -149052.3707 299.7075 -183.5440 -148.5669 557888.6960 -4.3611 -4.0434 PRESSURE: 3890000 -81.9905 11.4707 -67.973 11.4718 152.995 43.145 -67.9724 43.1442 -192.097 GPRESSURE: 3890000 -11.6971 21.0451 81.7277 48.6303 110.936 86.7888 -116.486 91.0285 -119.91 PRESSAVG: 3890000 -49.4362 36.4312 13.7857 36.4313 34.2049 -24.9106 13.7856 -24.9107 7.90401 GPRESSAVG: 3890000 -49.8794 34.9094 14.2181 40.5652 35.1301 -24.8388 15.6328 -24.0109 7.20711 TIMING: 3890000 CPU: 11700.9, 0.00299163/step Wall: 11700.9, 0.00299163/step, 0.92242 hours remaining, 210.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3890000 754.7286 2100.6715 1925.8295 111.5797 -206103.7250 17878.4148 0.0000 0.0000 34193.4113 -149139.0896 298.6196 -183332.5009 -149047.9416 299.8444 -40.3642 -6.8902 559420.3791 -2.4424 -2.5141 PRESSURE: 3890200 -253.794 13.2209 43.6542 13.2211 49.8806 -53.2809 43.6553 -53.28 -183.318 GPRESSURE: 3890200 -255.58 -18.0844 -71.8602 -18.6088 116.274 -105.825 69.3527 -33.0616 -139.496 PRESSAVG: 3890200 -24.9298 -1.03644 -59.6932 -1.03636 131.617 -19.0787 -59.6933 -19.0787 -65.3368 GPRESSAVG: 3890200 -24.7111 -0.785095 -60.3362 -1.80151 130.916 -19.9148 -60.8464 -18.7412 -65.2544 TIMING: 3890200 CPU: 11701.5, 0.00298034/step Wall: 11701.5, 0.00298034/step, 0.918772 hours remaining, 210.296875 MB of memory in use. ENERGY: 3890200 759.0466 2059.9787 1933.7064 124.3033 -206351.4465 17743.4857 0.0000 0.0000 34409.3048 -149321.6209 300.5050 -183730.9258 -149221.8685 299.4238 -129.0771 -92.9340 557910.4452 13.7835 13.6502 PRESSURE: 3890400 -117.464 115.945 -26.9401 115.944 156.007 122.034 -26.9394 122.033 9.28352 GPRESSURE: 3890400 -49.9595 18.3258 2.90821 88.6763 156.404 62.5246 -19.5473 208.481 46.9207 PRESSAVG: 3890400 -13.2193 26.877 -36.4298 26.877 47.5894 -1.274 -36.4298 -1.27401 -9.8006 GPRESSAVG: 3890400 -12.991 27.0716 -38.067 25.0388 47.5107 0.128884 -35.8949 -3.22923 -9.82227 TIMING: 3890400 CPU: 11702.1, 0.00299176/step Wall: 11702.1, 0.00299176/step, 0.922125 hours remaining, 210.296875 MB of memory in use. ENERGY: 3890400 713.9375 2127.3819 1949.3843 115.8102 -206191.2095 17616.6828 0.0000 0.0000 34290.5856 -149377.4272 299.4682 -183668.0129 -149282.1059 299.4939 15.9420 51.1219 556744.8115 8.1898 8.2325 PRESSURE: 3890600 26.8519 13.5153 95.4381 13.515 -194.246 13.1225 95.4384 13.122 -38.491 GPRESSURE: 3890600 58.449 -95.5082 151.356 91.8809 -154.297 130.088 10.9438 -75.6726 -17.8271 PRESSAVG: 3890600 -3.70444 -0.269442 4.69901 -0.269577 42.7712 6.20913 4.699 6.20909 0.732603 GPRESSAVG: 3890600 -4.12359 -0.421919 5.97882 0.972974 43.7947 4.21102 6.95304 8.81212 0.162253 TIMING: 3890600 CPU: 11702.7, 0.0029892/step Wall: 11702.7, 0.0029892/step, 0.921172 hours remaining, 210.296875 MB of memory in use. ENERGY: 3890600 741.4187 2152.5074 1932.8643 111.9441 -206182.5665 17658.4588 0.0000 0.0000 34261.7758 -149323.5973 299.2166 -183585.3731 -149226.3053 299.5138 -68.6284 -37.8917 557112.8268 13.2665 13.2778 PRESSURE: 3890800 -13.7746 30.7324 50.0717 30.7311 -376.199 -122.647 50.0703 -122.647 -155.862 GPRESSURE: 3890800 8.11557 40.2102 90.1034 -29.2264 -378.354 -96.7157 17.2631 -98.1129 -86.4836 PRESSAVG: 3890800 -9.17392 -31.5434 -32.4908 -31.5434 -31.5606 -4.18659 -32.4908 -4.18657 61.6476 GPRESSAVG: 3890800 -9.02276 -31.1741 -33.7694 -31.2188 -31.452 -2.21919 -33.6921 -6.06431 61.1319 TIMING: 3890800 CPU: 11703.2, 0.00296303/step Wall: 11703.2, 0.00296303/step, 0.912942 hours remaining, 210.296875 MB of memory in use. ENERGY: 3890800 726.1525 2170.2670 1927.7345 121.6312 -206372.9036 17676.9905 0.0000 0.0000 34311.8018 -149438.3261 299.6535 -183750.1279 -149339.1684 299.1451 -181.9451 -152.2407 558601.3911 6.9710 6.8857 PRESSURE: 3891000 -102.794 -9.9155 -57.8997 -9.9158 -352.03 -105.757 -57.9002 -105.757 -137.448 GPRESSURE: 3891000 -176.043 30.6823 -52.6396 -92.0155 -244.666 -82.6641 -120.851 -105.609 -80.0998 PRESSAVG: 3891000 3.17194 -39.3606 -0.439875 -39.3605 -15.8584 -22.2073 -0.439847 -22.2073 2.58686 GPRESSAVG: 3891000 2.88133 -38.7806 3.63072 -40.3381 -16.5812 -21.9098 -2.24126 -21.1738 3.26096 TIMING: 3891000 CPU: 11703.8, 0.00296822/step Wall: 11703.8, 0.00296822/step, 0.914376 hours remaining, 210.296875 MB of memory in use. ENERGY: 3891000 762.3398 2104.1457 1946.2786 102.6971 -206139.5477 17645.3321 0.0000 0.0000 34097.3493 -149481.4052 297.7806 -183578.7545 -149385.0024 298.6500 -197.4242 -166.9361 559160.0770 -3.3665 -3.4797 PRESSURE: 3891200 55.7104 65.1946 94.2838 65.1941 -42.6507 -188.624 94.2829 -188.623 218.248 GPRESSURE: 3891200 112.797 198.21 82.3162 -10.1927 -33.7014 -175.608 53.4393 -185.066 246.609 PRESSAVG: 3891200 55.3435 -46.3665 -23.6682 -46.3666 -64.3257 2.3517 -23.6682 2.3517 34.5672 GPRESSAVG: 3891200 54.7781 -44.2309 -27.1646 -46.3464 -63.272 1.88806 -22.4005 3.10749 33.8877 TIMING: 3891200 CPU: 11704.4, 0.00297139/step Wall: 11704.4, 0.00297139/step, 0.915188 hours remaining, 210.296875 MB of memory in use. ENERGY: 3891200 744.0486 2031.7718 1910.1165 117.2704 -206619.9390 18083.8910 0.0000 0.0000 34233.1706 -149499.6702 298.9668 -183732.8408 -149403.5488 298.7529 77.1026 108.5681 557726.5656 8.5283 8.4646 PRESSURE: 3891400 -72.0147 40.9925 -164.916 40.9931 -141.018 -15.6408 -164.915 -15.6406 -256.112 GPRESSURE: 3891400 -21.5713 71.7041 -159.554 -2.76672 -146.332 -34.4789 -137.355 -28.492 -212.525 PRESSAVG: 3891400 -17.3217 -10.2987 -18.3943 -10.2987 -19.1071 -59.1518 -18.3943 -59.1518 4.36739 GPRESSAVG: 3891400 -16.3339 -12.392 -17.1451 -9.6497 -19.3616 -59.469 -18.3506 -59.7234 3.64675 TIMING: 3891400 CPU: 11705, 0.00299124/step Wall: 11705, 0.00299124/step, 0.921136 hours remaining, 210.296875 MB of memory in use. ENERGY: 3891400 783.8389 2076.0193 1947.2611 108.7024 -206183.1938 17831.7457 0.0000 0.0000 34052.7242 -149382.9023 297.3909 -183435.6265 -149286.1494 298.6299 -156.3816 -126.8095 559974.8542 -10.6871 -10.6829 PRESSURE: 3891600 176.798 96.0794 -9.03327 96.0791 -98.7643 16.7162 -9.03357 16.7149 -246.597 GPRESSURE: 3891600 229.992 117.597 -21.8003 139.455 -92.5429 -2.16252 5.28541 -51.5858 -215.814 PRESSAVG: 3891600 -22.7292 60.2462 -25.5917 60.2463 20.3934 19.9764 -25.5916 19.9765 10.9109 GPRESSAVG: 3891600 -23.1436 59.7677 -26.7288 62.4557 19.2175 21.7025 -25.9777 19.8228 11.9323 TIMING: 3891600 CPU: 11705.6, 0.00300296/step Wall: 11705.6, 0.00300296/step, 0.924579 hours remaining, 210.296875 MB of memory in use. ENERGY: 3891600 773.0508 2064.3935 1958.3824 97.7384 -206397.0477 17910.6523 0.0000 0.0000 34197.6286 -149395.2017 298.6564 -183592.8303 -149302.2045 298.4923 -56.1878 -26.1217 558520.3521 2.8584 2.6687 PRESSURE: 3891800 -35.9733 92.3314 111.62 92.3312 219.14 -0.116474 111.622 -0.116823 362.167 GPRESSURE: 3891800 -8.9204 187.132 57.1974 63.7974 246.594 39.1565 100.436 -46.0456 393.007 PRESSAVG: 3891800 28.6659 -19.0988 -15.452 -19.0989 -20.6451 -3.16776 -15.4521 -3.16753 53.3723 GPRESSAVG: 3891800 28.4961 -18.461 -15.0843 -21.0029 -20.5544 -4.05113 -15.2197 -4.14679 52.8394 TIMING: 3891800 CPU: 11706.2, 0.0030331/step Wall: 11706.2, 0.0030331/step, 0.933688 hours remaining, 210.296875 MB of memory in use. ENERGY: 3891800 678.8737 2124.3467 1950.5294 121.8829 -206329.2445 17950.3171 0.0000 0.0000 34030.1463 -149473.1484 297.1937 -183503.2946 -149369.7897 298.5387 181.7779 210.2270 556978.5181 20.4644 20.2604 PRESSURE: 3892000 -66.1682 -136.472 -1.60703 -136.472 146.601 148.829 -1.6074 148.83 -35.0985 GPRESSURE: 3892000 -23.0063 -102.093 -5.78422 -60.8959 201.931 120.673 38.9722 119.236 -32.5695 PRESSAVG: 3892000 -50.5926 17.8203 -34.52 17.8203 70.1189 34.7598 -34.5199 34.7598 21.2086 GPRESSAVG: 3892000 -49.0489 17.8009 -34.8364 18.5755 69.025 33.5611 -33.7437 35.4794 20.7236 TIMING: 3892000 CPU: 11706.8, 0.00299069/step Wall: 11706.8, 0.00299069/step, 0.920467 hours remaining, 210.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3892000 746.5744 2057.6687 1937.4038 91.6632 -206476.7326 17905.3650 0.0000 0.0000 34204.3303 -149533.7271 298.7149 -183738.0574 -149432.6971 298.1313 15.1115 48.7852 557551.1662 13.5783 13.5666 PRESSURE: 3892200 66.2897 -78.7461 234.09 -78.7483 27.9344 16.2729 234.089 16.2726 122.817 GPRESSURE: 3892200 106.82 -16.1916 213.473 -141 50.8193 85.9979 215.152 -34.0001 157.33 PRESSAVG: 3892200 -93.4993 1.48322 25.9442 1.48323 0.688818 20.2636 25.9441 20.2638 15.8013 GPRESSAVG: 3892200 -94.5187 2.36285 26.8278 -0.714482 2.14077 19.7527 24.3013 21.3768 15.5448 TIMING: 3892200 CPU: 11707.4, 0.00298611/step Wall: 11707.4, 0.00298611/step, 0.918893 hours remaining, 210.296875 MB of memory in use. ENERGY: 3892200 700.8059 2109.4722 1943.8576 102.2199 -206721.8317 18074.5878 0.0000 0.0000 34194.8283 -149596.0599 298.6319 -183790.8882 -149501.4149 298.2634 72.3471 104.9898 557372.2159 -25.6698 -25.6110 LDB: ============= START OF LOAD BALANCING ============== 11710.9 LDB: ============== END OF LOAD BALANCING =============== 11710.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11711 LDB: ============= START OF LOAD BALANCING ============== 11711.3 LDB: Largest compute 4802 load 0.027639 is 23.4% of average load 0.118177 LDB: Average compute 0.001721 is 1.5% of average load 0.118177 LDB: TIME 11711.3 LOAD: AVG 0.118177 MAX 0.214069 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.602 MB LDB: TIME 11711.3 LOAD: AVG 0.118177 MAX 0.214069 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.602 MB LDB: TIME 11711.3 LOAD: AVG 0.118177 MAX 0.214069 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.602 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11711.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11711.3 PRESSURE: 3892400 -27.7042 89.8324 -81.4825 89.832 169.171 5.21325 -81.4816 5.21376 191.193 GPRESSURE: 3892400 -9.02879 65.3692 43.5973 97.7102 245.025 -70.8309 -128.83 29.6939 193.796 PRESSAVG: 3892400 -36.4133 -12.1581 13.9661 -12.1581 71.7344 28.7059 13.966 28.7059 -27.6644 GPRESSAVG: 3892400 -37.4397 -13.1192 13.5064 -11.7528 72.2879 30.7595 15.9924 28.7778 -27.0031 TIMING: 3892400 CPU: 11708, 0.0030809/step Wall: 11708, 0.0030809/step, 0.947892 hours remaining, 210.914062 MB of memory in use. ENERGY: 3892400 707.4250 2072.1551 1956.9106 114.3377 -206905.5049 18108.9794 0.0000 0.0000 34324.7914 -149620.9057 299.7669 -183945.6971 -149524.1269 298.7863 110.8866 143.2641 556584.2046 2.5522 2.6150 PRESSURE: 3892600 98.5819 87.8557 -287.357 87.8566 343.697 17.6236 -287.357 17.6234 68.2316 GPRESSURE: 3892600 111.851 168.128 -284.365 5.49066 381.062 1.66579 -341.276 14.4485 102.702 PRESSAVG: 3892600 -44.9249 3.62254 -38.7571 3.62259 4.82053 -26.1008 -38.7571 -26.1008 11.0395 GPRESSAVG: 3892600 -43.9733 4.53481 -37.8918 3.63466 3.43023 -25.854 -41.7081 -26.1222 11.7769 TIMING: 3892600 CPU: 11708.6, 0.00298313/step Wall: 11708.6, 0.00298313/step, 0.917644 hours remaining, 211.058594 MB of memory in use. ENERGY: 3892600 746.9684 2070.1831 1945.9897 120.4830 -206847.1334 18132.6344 0.0000 0.0000 34187.2355 -149643.6393 298.5656 -183830.8748 -149548.5531 298.2887 170.1702 198.5385 554510.5002 -9.6883 -9.5887 PRESSURE: 3892800 -242.308 53.2321 -119.419 53.2321 -119.642 20.7875 -119.418 20.7868 -93.9244 GPRESSURE: 3892800 -232.1 19.4587 42.8032 100.667 -64.2196 25.0617 -200.832 67.0798 -76.6278 PRESSAVG: 3892800 31.3823 -0.390037 31.3123 -0.390098 -38.5641 8.56958 31.3123 8.56958 -12.4547 GPRESSAVG: 3892800 31.719 -2.78987 28.7445 1.2084 -37.9962 9.83952 32.3425 9.06416 -13.3349 TIMING: 3892800 CPU: 11709.2, 0.00298545/step Wall: 11709.2, 0.00298545/step, 0.918191 hours remaining, 211.058594 MB of memory in use. ENERGY: 3892800 723.3056 2087.4603 1934.3200 113.7529 -206668.5984 17757.6162 0.0000 0.0000 34335.7191 -149716.4242 299.8624 -184052.1434 -149616.4661 298.9086 -151.9584 -124.3158 556500.7724 -6.5455 -6.5374 PRESSURE: 3893000 227.054 153.067 43.1667 153.067 238.572 227.103 43.1675 227.103 -183.001 GPRESSURE: 3893000 256.148 135.876 85.1243 159.982 245.342 171.407 5.70933 210.258 -117.132 PRESSAVG: 3893000 -10.3078 23.4352 8.06994 23.4351 16.0311 15.4842 8.06989 15.4841 -26.0557 GPRESSAVG: 3893000 -10.0635 22.9702 8.5686 23.9959 14.9766 14.6247 7.33393 15.0305 -25.4849 TIMING: 3893000 CPU: 11709.8, 0.00298854/step Wall: 11709.8, 0.00298854/step, 0.918977 hours remaining, 211.058594 MB of memory in use. ENERGY: 3893000 717.6560 2096.3832 1910.5681 105.3293 -206400.1024 17982.8443 0.0000 0.0000 34016.9544 -149570.3671 297.0785 -183587.3215 -149476.8546 298.0768 94.2081 128.1189 556151.5656 -6.7774 -6.8573 PRESSURE: 3893200 -119.507 141.487 47.2524 141.487 -268.398 -103.904 47.2527 -103.905 1.93474 GPRESSURE: 3893200 -88.824 142.44 -42.9389 94.2392 -266.951 -69.575 65.7891 -99.7483 70.1893 PRESSAVG: 3893200 -21.4972 1.64895 20.8492 1.64896 -12.9294 54.4009 20.8492 54.4009 28.7253 GPRESSAVG: 3893200 -22.6365 2.92863 21.1107 0.873287 -11.4918 54.7949 21.209 53.7036 28.6929 TIMING: 3893200 CPU: 11710.4, 0.00299318/step Wall: 11710.4, 0.00299318/step, 0.920235 hours remaining, 211.203125 MB of memory in use. ENERGY: 3893200 733.2039 2055.4876 1943.1859 122.5734 -206116.1305 17558.2373 0.0000 0.0000 34333.9420 -149369.5005 299.8469 -183703.4425 -149267.2880 298.8437 -128.6568 -95.1951 556830.6854 -1.9004 -1.8118 PRESSURE: 3893400 198.907 56.9361 70.2227 56.936 -56.4248 -34.1128 70.222 -34.1123 -63.277 GPRESSURE: 3893400 220.741 86.0102 31.703 59.8223 -33.5766 -52.355 86.452 62.7134 -2.84849 PRESSAVG: 3893400 16.8894 35.3162 40.5499 35.3161 6.68642 -49.8339 40.5499 -49.834 -7.53024 GPRESSAVG: 3893400 17.5488 35.0807 39.7775 36.0193 5.83254 -50.0225 42.5843 -49.9855 -7.36691 TIMING: 3893400 CPU: 11711, 0.00303033/step Wall: 11711, 0.00303033/step, 0.931491 hours remaining, 211.203125 MB of memory in use. ENERGY: 3893400 693.1829 2049.4054 1940.3074 113.5129 -206212.9666 17765.1307 0.0000 0.0000 34335.0775 -149316.3498 299.8568 -183651.4274 -149216.2789 299.6259 26.4016 61.4386 556190.5769 5.3485 5.3381 PRESSURE: 3893600 -179.393 59.8462 67.721 59.8459 -239.53 -121.87 67.7205 -121.869 -53.1749 GPRESSURE: 3893600 -132.584 109.748 40.284 42.7039 -188.512 -192.941 108.893 -99.5444 -55.4832 PRESSAVG: 3893600 -37.3186 36.1229 12.4695 36.1229 48.1832 -38.5833 12.4694 -38.5833 13.0167 GPRESSAVG: 3893600 -36.3048 37.5172 13.6788 33.2861 48.539 -37.7565 11.3462 -37.0057 11.3372 TIMING: 3893600 CPU: 11711.6, 0.00300693/step Wall: 11711.6, 0.00300693/step, 0.924129 hours remaining, 211.203125 MB of memory in use. ENERGY: 3893600 785.3235 2161.9051 1952.1779 112.3024 -206041.9362 17613.2749 0.0000 0.0000 34023.6421 -149393.3104 297.1369 -183416.9525 -149296.9775 299.3978 -157.3661 -125.5263 557250.7650 7.9604 7.8571 PRESSURE: 3893800 192.02 62.1212 39.2137 62.1221 0.313329 -195.576 39.213 -195.576 36.972 GPRESSURE: 3893800 192.437 36.7407 -17.2712 135.008 -5.84017 -253.115 61.8933 -116.447 140.456 PRESSAVG: 3893800 52.8058 6.11296 13.8457 6.113 -5.72968 -36.4575 13.8457 -36.4575 14.5269 GPRESSAVG: 3893800 52.1826 6.8512 15.5169 6.23641 -5.95778 -36.8003 14.6726 -37.2649 15.2452 TIMING: 3893800 CPU: 11712.2, 0.00301356/step Wall: 11712.2, 0.00301356/step, 0.926001 hours remaining, 211.203125 MB of memory in use. ENERGY: 3893800 712.8120 2131.0359 1941.6175 102.7046 -206400.0917 17898.0069 0.0000 0.0000 34325.4114 -149288.5034 299.7724 -183613.9148 -149185.5114 299.4282 76.4352 109.0177 556183.3441 20.5343 20.4900 PRESSURE: 3894000 -155.127 -43.1144 -147.887 -43.1143 -152.248 -133.391 -147.887 -133.39 -321.431 GPRESSURE: 3894000 -135.937 -31.4927 -108.037 -72.8196 -98.7127 -202.23 -123.695 -135.356 -288.925 PRESSAVG: 3894000 -9.11995 23.9939 12.3867 23.9938 -4.70876 14.3325 12.3867 14.3326 10.7582 GPRESSAVG: 3894000 -9.80161 22.0231 12.2312 26.1007 -4.94633 13.4593 10.4345 14.0212 11.4097 TIMING: 3894000 CPU: 11712.9, 0.00301793/step Wall: 11712.9, 0.00301793/step, 0.927174 hours remaining, 211.269531 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: 3894000 714.9725 2061.9827 1909.7840 115.3021 -206164.9046 17567.9293 0.0000 0.0000 34332.4419 -149462.4921 299.8338 -183794.9339 -149363.5028 298.7539 -209.6022 -174.5249 557582.7911 -1.0235 -1.1128 PRESSURE: 3894200 -91.2458 10.0602 -14.934 10.0595 -3.87473 68.8805 -14.9341 68.8812 -39.8961 GPRESSURE: 3894200 -41.3861 -8.75247 16.1445 93.3933 -21.4401 149.174 33.5829 6.73909 10.124 PRESSAVG: 3894200 28.4984 53.3252 -30.0817 53.3252 7.94633 -1.85562 -30.0817 -1.85563 -14.1438 GPRESSAVG: 3894200 29.4164 52.6111 -30.9594 54.0755 8.18337 -0.136636 -27.0564 -0.117037 -14.6456 TIMING: 3894200 CPU: 11713.5, 0.00300878/step Wall: 11713.5, 0.00300878/step, 0.924197 hours remaining, 211.269531 MB of memory in use. ENERGY: 3894200 747.7188 2039.8233 1939.0631 111.9884 -206401.2530 17822.9524 0.0000 0.0000 34270.6332 -149469.0737 299.2940 -183739.7070 -149360.7960 298.1528 -45.0055 -17.5674 557872.6224 7.4336 7.6514 PRESSURE: 3894400 14.5305 139.721 58.1011 139.721 114.32 -12.2671 58.1003 -12.2665 26.9221 GPRESSURE: 3894400 41.9474 155.665 127.247 151.283 145.014 -26.41 -11.0591 -26.5166 52.744 PRESSAVG: 3894400 -50.6361 -43.6801 33.3722 -43.6801 -56.1263 26.3038 33.3721 26.3039 61.8734 GPRESSAVG: 3894400 -52.3231 -41.6731 32.9991 -44.9326 -56.034 25.0663 32.057 25.6278 63.5394 TIMING: 3894400 CPU: 11714.1, 0.0030293/step Wall: 11714.1, 0.0030293/step, 0.930332 hours remaining, 211.269531 MB of memory in use. ENERGY: 3894400 753.4018 2127.5030 1933.6624 120.8858 -206301.2252 18006.4552 0.0000 0.0000 34090.2767 -149269.0403 297.7189 -183359.3170 -149175.9712 298.5674 51.9241 79.9018 557470.5862 -14.9630 -14.9392 PRESSURE: 3894600 -153.693 -55.6194 15.4931 -55.6179 -190.945 -98.2488 15.4941 -98.2472 -31.8394 GPRESSURE: 3894600 -154.217 -13.0708 -120.837 4.42048 -162.746 -197.87 2.33636 -143.101 45.44 PRESSAVG: 3894600 -6.29832 7.4389 45.4844 7.43888 -19.8092 -9.07549 45.4845 -9.07543 -7.79527 GPRESSAVG: 3894600 -5.05239 7.36085 44.9159 9.34223 -19.7402 -7.92647 45.43 -9.81923 -9.37703 TIMING: 3894600 CPU: 11714.7, 0.00301622/step Wall: 11714.7, 0.00301622/step, 0.926148 hours remaining, 211.269531 MB of memory in use. ENERGY: 3894600 745.4899 2026.5611 1951.1322 106.2713 -205777.5507 17445.2755 0.0000 0.0000 34234.7986 -149268.0222 298.9810 -183502.8208 -149169.3192 298.5071 -125.4924 -90.5079 558306.7886 -11.3009 -11.3899 PRESSURE: 3894800 224.334 -132.466 236.846 -132.467 -232.341 -132.521 236.846 -132.522 62.7227 GPRESSURE: 3894800 207.38 -134.273 242.746 -181.79 -97.9382 -156.664 285.256 -67.5255 33.5746 PRESSAVG: 3894800 -18.4867 25.1681 44.5376 25.1681 11.6478 -18.4222 44.5376 -18.4223 11.4763 GPRESSAVG: 3894800 -19.0271 22.1353 45.4989 24.7642 11.2602 -19.142 43.7667 -17.7949 12.0052 TIMING: 3894800 CPU: 11715.3, 0.00299236/step Wall: 11715.3, 0.00299236/step, 0.918654 hours remaining, 211.269531 MB of memory in use. ENERGY: 3894800 748.8922 2068.6463 1945.6758 120.9031 -206289.2208 17919.4822 0.0000 0.0000 34173.4665 -149312.1547 298.4454 -183485.6212 -149218.0444 299.2231 18.2386 47.6721 557746.2447 1.5458 1.4128 PRESSURE: 3895000 80.1358 127.135 -151.473 127.136 -182.045 15.5955 -151.474 15.596 41.85 GPRESSURE: 3895000 143.062 99.2929 -114.734 177.617 -135.275 5.8096 -95.4774 -5.21388 38.4883 PRESSAVG: 3895000 15.6154 4.74796 52.2808 4.74792 -51.5241 13.7834 52.2808 13.7834 53.5419 GPRESSAVG: 3895000 16.9248 5.93897 53.0225 4.30186 -51.3177 13.3348 52.2507 14.427 52.1442 TIMING: 3895000 CPU: 11715.9, 0.00297614/step Wall: 11715.9, 0.00297614/step, 0.91351 hours remaining, 211.269531 MB of memory in use. ENERGY: 3895000 742.7643 2059.2036 1917.7652 104.7049 -206183.7184 17807.5437 0.0000 0.0000 34313.0042 -149238.7325 299.6640 -183551.7366 -149138.0118 299.0675 -20.0196 15.4252 557608.7313 5.8777 5.9171 PRESSURE: 3895200 -254.983 -21.8376 149.506 -21.8385 130.142 -47.1686 149.507 -47.1682 9.91902 GPRESSURE: 3895200 -199.315 -5.99357 135.026 -29.2193 181.959 -76.9776 135.639 -23.4784 -7.71741 PRESSAVG: 3895200 -67.2977 -23.4484 25.8371 -23.4485 44.6137 -16.0405 25.8371 -16.0406 3.28477 GPRESSAVG: 3895200 -68.2505 -22.023 24.8185 -23.7835 45.2197 -17.4626 25.7658 -15.4435 3.55863 TIMING: 3895200 CPU: 11716.5, 0.00301108/step Wall: 11716.5, 0.00301108/step, 0.924066 hours remaining, 211.269531 MB of memory in use. ENERGY: 3895200 729.0985 2053.1753 1925.8480 114.8602 -205949.1726 17692.0152 0.0000 0.0000 34162.2645 -149271.9109 298.3476 -183434.1754 -149164.8134 299.5824 -38.3074 -8.3575 558609.2714 -6.4664 -6.4907 PRESSURE: 3895400 -5.9264 118.93 108.244 118.929 -256.798 -69.8054 108.244 -69.8044 -204.047 GPRESSURE: 3895400 6.95873 172.326 128.721 127.749 -252.508 -68.6126 30.6375 14.694 -124.973 PRESSAVG: 3895400 -55.5579 18.1932 14.7799 18.1933 39.9756 -2.63067 14.7799 -2.63059 71.6705 GPRESSAVG: 3895400 -55.6009 17.8824 14.8494 19.1462 38.8326 -0.916922 14.7157 -4.49462 72.7296 TIMING: 3895400 CPU: 11717.1, 0.00297972/step Wall: 11717.1, 0.00297972/step, 0.914279 hours remaining, 211.269531 MB of memory in use. ENERGY: 3895400 746.6937 2129.0999 1953.9930 103.7010 -206092.4570 17799.1545 0.0000 0.0000 34241.4850 -149118.3298 299.0394 -183359.8149 -149020.5283 299.4301 -155.5907 -123.5073 558588.4160 18.6961 18.6538 PRESSURE: 3895600 -82.8754 11.4348 109.582 11.4356 -340.635 96.2463 109.582 96.2467 -161.893 GPRESSURE: 3895600 -70.641 0.290459 125.142 12.8721 -318.674 75.6371 146.383 106.108 -116.971 PRESSAVG: 3895600 28.5676 49.9323 82.4968 49.9322 10.6188 -65.7088 82.4968 -65.7089 -21.7297 GPRESSAVG: 3895600 27.8444 50.5657 83.8505 49.741 10.2668 -66.1677 83.8606 -65.3687 -20.7951 TIMING: 3895600 CPU: 11717.7, 0.00300107/step Wall: 11717.7, 0.00300107/step, 0.920661 hours remaining, 211.269531 MB of memory in use. ENERGY: 3895600 736.0946 2104.3292 1971.4568 125.0513 -206010.9983 17556.0846 0.0000 0.0000 34387.2136 -149130.7680 300.3121 -183517.9817 -149029.1356 299.4926 -195.1343 -168.7620 558024.5142 5.8189 5.7721 PRESSURE: 3895800 18.5788 -61.2587 -121.922 -61.258 -296.787 54.0151 -121.923 54.0157 -199.972 GPRESSURE: 3895800 9.53823 -123.071 -160.987 -31.0519 -249.721 108.426 -140.797 34.2882 -146.762 PRESSAVG: 3895800 -2.27999 -33.8623 -0.519264 -33.8624 -22.3703 -29.7604 -0.519145 -29.7605 36.1583 GPRESSAVG: 3895800 -1.51908 -32.5017 -3.15895 -32.804 -21.5003 -28.2621 0.209639 -29.1358 34.9248 TIMING: 3895800 CPU: 11718.2, 0.00297109/step Wall: 11718.2, 0.00297109/step, 0.911299 hours remaining, 211.269531 MB of memory in use. ENERGY: 3895800 762.4889 2108.0215 1931.5728 110.8284 -205830.4885 17583.5225 0.0000 0.0000 34131.3229 -149202.7316 298.0773 -183334.0544 -149107.3279 299.7048 -159.3932 -128.9818 558161.2256 3.8360 3.9684 PRESSURE: 3896000 85.9749 -174.131 -15.1851 -174.132 112.057 -52.795 -15.1864 -52.7961 31.7846 GPRESSURE: 3896000 141.82 -188.618 -26.3312 -50.5049 154.431 -19.3478 80.9387 -44.1901 24.2022 PRESSAVG: 3896000 73.3756 -25.8801 -10.2426 -25.8801 -43.833 -19.3191 -10.2425 -19.319 -31.1756 GPRESSAVG: 3896000 73.497 -26.3015 -8.06634 -26.0743 -44.6986 -19.7108 -10.0435 -19.7689 -30.0964 TIMING: 3896000 CPU: 11718.8, 0.00299273/step Wall: 11718.8, 0.00299273/step, 0.917769 hours remaining, 211.269531 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: 3896000 708.6636 2108.7050 1946.7794 113.6325 -206429.3166 18110.6069 0.0000 0.0000 34338.7035 -149102.2256 299.8884 -183440.9291 -149005.5581 298.8522 76.6057 106.8177 558487.0173 -0.5443 -0.4327 PRESSURE: 3896200 -16.3377 33.2447 -44.6595 33.2463 87.5964 132.067 -44.6583 132.067 94.3296 GPRESSURE: 3896200 -54.5768 6.95547 25.3713 -14.9734 130.694 67.1641 -181.02 113.49 182.893 PRESSAVG: 3896200 -16.7724 12.5987 14.9276 12.5987 19.2616 -74.3636 14.9276 -74.3636 -76.482 GPRESSAVG: 3896200 -17.0705 11.5958 16.1372 11.0577 19.7839 -73.6356 12.1288 -74.6748 -76.438 TIMING: 3896200 CPU: 11719.4, 0.0029947/step Wall: 11719.4, 0.0029947/step, 0.918209 hours remaining, 211.269531 MB of memory in use. ENERGY: 3896200 715.6612 2079.7137 1924.2289 111.1857 -206198.6551 17813.6488 0.0000 0.0000 34520.2884 -149033.9283 301.4743 -183554.2167 -148939.9780 298.8281 55.1961 86.3369 558125.0900 -24.6643 -24.5749 LDB: ============= START OF LOAD BALANCING ============== 11723 LDB: ============== END OF LOAD BALANCING =============== 11723 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11723 LDB: ============= START OF LOAD BALANCING ============== 11723.3 LDB: Largest compute 4773 load 0.026748 is 22.6% of average load 0.118204 LDB: Average compute 0.001724 is 1.5% of average load 0.118204 LDB: TIME 11723.3 LOAD: AVG 0.118204 MAX 0.212998 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.152 MB LDB: TIME 11723.3 LOAD: AVG 0.118204 MAX 0.212998 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.355 MB LDB: TIME 11723.3 LOAD: AVG 0.118204 MAX 0.212998 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.355 MB LDB: ============== END OF LOAD BALANCING =============== 11723.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11723.3 PRESSURE: 3896400 -60.7608 -45.688 134.749 -45.6868 112.567 111.314 134.749 111.316 126.216 GPRESSURE: 3896400 -15.6172 -14.0862 43.5624 -92.9609 108.331 161.009 110.635 7.58696 183.927 PRESSAVG: 3896400 -0.143999 6.43202 -22.6429 6.43207 -30.8905 11.6499 -22.6429 11.6499 51.3126 GPRESSAVG: 3896400 1.04855 7.34399 -24.4029 6.31309 -31.704 11.9008 -21.471 11.6245 50.264 TIMING: 3896400 CPU: 11720.1, 0.0030515/step Wall: 11720.1, 0.0030515/step, 0.935455 hours remaining, 209.628906 MB of memory in use. ENERGY: 3896400 732.9997 2053.1966 1923.4769 122.2442 -205843.7527 17893.4344 0.0000 0.0000 34123.6331 -148994.7677 298.0102 -183118.4008 -148900.5943 299.6110 59.3407 92.2135 558060.0657 6.7594 6.5362 PRESSURE: 3896600 43.6699 75.0582 151.789 75.0596 38.1547 100.965 151.789 100.964 -11.7773 GPRESSURE: 3896600 105.426 111.515 86.4459 82.1506 90.2955 196.803 148.399 -64.6792 -15.748 PRESSAVG: 3896600 4.53417 17.7481 -9.37926 17.748 0.956916 -0.261399 -9.37928 -0.261322 -18.1263 GPRESSAVG: 3896600 4.1781 16.853 -10.1073 18.3823 1.67594 -1.11235 -9.06551 1.13805 -18.1703 TIMING: 3896600 CPU: 11720.7, 0.00299237/step Wall: 11720.7, 0.00299237/step, 0.917161 hours remaining, 209.628906 MB of memory in use. ENERGY: 3896600 731.3065 2058.3759 1947.1016 128.4351 -206017.4233 17791.7906 0.0000 0.0000 34197.4460 -149162.9675 298.6548 -183360.4135 -149071.0640 299.7388 23.3491 59.9910 557471.1734 -4.2118 -4.1054 PRESSURE: 3896800 -8.07638 -23.5417 20.1655 -23.5409 -7.05051 73.9595 20.1657 73.9595 -46.997 GPRESSURE: 3896800 28.9523 -61.6353 -19.2575 -17.0621 -66.7678 57.4758 8.92999 110.502 72.3599 PRESSAVG: 3896800 17.6691 27.8633 -9.71525 27.8633 -37.8916 28.4288 -9.71534 28.4287 -4.48848 GPRESSAVG: 3896800 17.3426 27.7949 -9.27004 28.631 -36.9297 29.6258 -9.30406 27.7206 -5.30742 TIMING: 3896800 CPU: 11721.3, 0.00298778/step Wall: 11721.3, 0.00298778/step, 0.915588 hours remaining, 209.628906 MB of memory in use. ENERGY: 3896800 742.3267 2081.8109 1938.4457 112.9531 -206108.3663 17712.7211 0.0000 0.0000 34359.6138 -149160.4950 300.0711 -183520.1087 -149065.1017 299.5094 -20.7080 11.5148 557274.8410 -8.2370 -8.2982 PRESSURE: 3897000 -119.006 -90.1407 -12.8844 -90.1396 -361.537 10.1406 -12.8828 10.1419 -205.421 GPRESSURE: 3897000 -91.3659 -87.423 28.4938 -136.055 -309.633 -37.1314 -100.219 131.667 -191.593 PRESSAVG: 3897000 -42.4118 -6.95078 -10.7853 -6.95073 19.2002 -29.8623 -10.7853 -29.8624 66.1311 GPRESSAVG: 3897000 -42.27 -6.55548 -9.64886 -7.67095 18.2099 -31.5707 -12.1461 -31.6021 66.8212 TIMING: 3897000 CPU: 11721.9, 0.00300606/step Wall: 11721.9, 0.00300606/step, 0.921022 hours remaining, 209.628906 MB of memory in use. ENERGY: 3897000 745.5747 2087.4530 1916.6777 95.4399 -205653.9068 17345.0346 0.0000 0.0000 34328.7053 -149135.0216 299.8011 -183463.7269 -149039.9538 300.2103 -228.6547 -197.5306 558064.7643 14.3065 14.2537 PRESSURE: 3897200 88.3296 111.71 -124.899 111.711 -61.0245 -101.067 -124.899 -101.066 -209.308 GPRESSURE: 3897200 77.0639 40.3312 -159.91 118.315 0.541252 -73.8363 -92.0135 -42.6295 -158.578 PRESSAVG: 3897200 26.9599 -56.0948 -4.78167 -56.0949 0.219049 16.5352 -4.78168 16.5352 -57.8271 GPRESSAVG: 3897200 28.0372 -55.4223 -4.02932 -58.038 -0.0347506 18.5483 -4.14602 16.8117 -58.6577 TIMING: 3897200 CPU: 11722.5, 0.00299275/step Wall: 11722.5, 0.00299275/step, 0.916779 hours remaining, 209.628906 MB of memory in use. ENERGY: 3897200 766.4584 2085.5747 1911.4720 115.3783 -206349.0128 17796.4822 0.0000 0.0000 34437.0192 -149236.6279 300.7471 -183673.6471 -149132.4858 299.3021 -60.6676 -26.9910 557047.2034 -10.2161 -10.2184 PRESSURE: 3897400 -184.179 174.786 10.7345 174.786 32.2179 80.2602 10.734 80.2615 47.0385 GPRESSURE: 3897400 -183.62 155.718 -26.0747 143.167 115.858 75.9046 -11.1033 58.4109 69.3074 PRESSAVG: 3897400 -21.5188 -10.145 1.0216 -10.145 45.2018 1.79806 1.0216 1.79813 19.8897 GPRESSAVG: 3897400 -22.4294 -11.5874 -0.0514275 -8.89014 45.6594 0.629156 0.708908 2.67294 20.9055 TIMING: 3897400 CPU: 11723.1, 0.00300754/step Wall: 11723.1, 0.00300754/step, 0.921142 hours remaining, 209.628906 MB of memory in use. ENERGY: 3897400 760.9508 2128.1148 1964.2577 122.7428 -206043.1305 17514.8714 0.0000 0.0000 34273.3156 -149278.8773 299.3174 -183552.1929 -149172.1975 299.0257 -34.9743 0.5150 555832.2658 14.5242 14.7119 PRESSURE: 3897600 -343.852 61.6038 -18.3085 61.6037 -84.244 20.6352 -18.3085 20.6363 95.6061 GPRESSURE: 3897600 -288.451 7.66124 14.5175 29.5069 -41.4301 -113.192 44.1625 81.9293 89.3791 PRESSAVG: 3897600 -60.0908 21.3825 -7.60319 21.3826 -19.6307 29.8575 -7.60333 29.8576 41.9462 GPRESSAVG: 3897600 -60.091 22.2906 -6.64566 22.3983 -20.0928 28.5701 -7.41466 32.1229 42.4443 TIMING: 3897600 CPU: 11723.7, 0.00303398/step Wall: 11723.7, 0.00303398/step, 0.929072 hours remaining, 209.628906 MB of memory in use. ENERGY: 3897600 738.9976 2097.2324 1930.6954 121.3311 -206411.7253 17799.6938 0.0000 0.0000 34481.3831 -149242.3919 301.1345 -183723.7751 -149143.6872 299.0214 -110.8298 -80.1673 558139.6274 -12.5918 -12.5798 PRESSURE: 3897800 45.8528 50.1674 -77.1022 50.1664 101.612 -42.9168 -77.1031 -42.9168 160.723 GPRESSURE: 3897800 116.573 11.0638 -62.9921 100.922 119.045 55.9558 -50.6707 -45.3057 182.139 PRESSAVG: 3897800 61.4736 -8.58132 23.1557 -8.58131 -10.6726 15.4343 23.1557 15.4343 8.40602 GPRESSAVG: 3897800 60.5379 -9.93912 23.0549 -7.98679 -9.18389 17.38 24.1182 14.6349 7.65439 TIMING: 3897800 CPU: 11724.3, 0.00302576/step Wall: 11724.3, 0.00302576/step, 0.926388 hours remaining, 209.628906 MB of memory in use. ENERGY: 3897800 754.0530 2122.8032 1948.7795 101.3801 -206802.0461 18128.4899 0.0000 0.0000 34329.0775 -149417.4629 299.8044 -183746.5404 -149326.6945 299.5330 102.7292 139.2526 555295.8902 19.7357 19.6695 PRESSURE: 3898000 421.358 17.3705 -50.9716 17.3712 40.605 -28.5261 -50.9706 -28.5279 210.698 GPRESSURE: 3898000 392.034 -45.4994 -99.8874 47.2933 147.619 -50.3502 -7.68486 12.1866 224.21 PRESSAVG: 3898000 66.5056 17.4709 -100.576 17.4709 -47.4819 16.5965 -100.576 16.5965 -5.06313 GPRESSAVG: 3898000 67.3374 20.2884 -101.449 15.2799 -48.317 17.1507 -99.5396 16.1665 -5.67194 TIMING: 3898000 CPU: 11724.9, 0.00298172/step Wall: 11724.9, 0.00298172/step, 0.912738 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: 3898000 758.9108 2048.0587 1927.8933 103.3132 -206634.3263 18047.8762 0.0000 0.0000 34384.7364 -149363.5377 300.2905 -183748.2740 -149268.0293 299.3940 224.2201 254.6211 555255.0307 4.6535 4.4495 PRESSURE: 3898200 -37.9984 -144.86 72.074 -144.859 -26.5758 22.766 72.076 22.7684 -158.387 GPRESSURE: 3898200 7.27721 -166.784 108.152 -185.053 25.6348 53.5537 0.146733 -59.7037 -165.2 PRESSAVG: 3898200 26.7379 -39.9702 -18.8005 -39.9702 13.8244 1.78513 -18.8005 1.7852 -43.9438 GPRESSAVG: 3898200 26.7982 -41.761 -18.5426 -38.8704 13.5139 1.73264 -18.7652 2.19602 -43.1302 TIMING: 3898200 CPU: 11725.5, 0.0029679/step Wall: 11725.5, 0.0029679/step, 0.908342 hours remaining, 209.628906 MB of memory in use. ENERGY: 3898200 748.0089 2068.1657 1930.6380 118.7119 -205752.8223 17496.0668 0.0000 0.0000 34144.3168 -149246.9142 298.1908 -183391.2311 -149150.8556 299.4312 -74.3204 -44.0961 556611.6536 -1.1272 -0.9394 PRESSURE: 3898400 110.057 -37.283 -157.256 -37.2831 65.4681 -85.3262 -157.256 -85.3264 305.066 GPRESSURE: 3898400 158.724 -45.7044 -217.775 27.3861 83.1309 -65.924 -69.0185 -59.3518 336.853 PRESSAVG: 3898400 -3.94338 -45.1909 -16.0346 -45.191 31.6377 8.18909 -16.0346 8.18926 -17.561 GPRESSAVG: 3898400 -4.88753 -45.1106 -17.2014 -47.8043 32.5795 6.84382 -16.1413 9.29335 -17.2759 TIMING: 3898400 CPU: 11726.1, 0.00299997/step Wall: 11726.1, 0.00299997/step, 0.91799 hours remaining, 209.628906 MB of memory in use. ENERGY: 3898400 735.4429 2109.0141 1900.8178 115.6709 -206249.3090 17862.0039 0.0000 0.0000 34261.4118 -149264.9477 299.2134 -183526.3595 -149168.3749 298.6544 160.1970 192.9027 555375.3123 3.3778 3.4720 PRESSURE: 3898600 -266.73 -195.1 -0.670672 -195.099 -147.898 157.997 -0.672309 157.995 -162.223 GPRESSURE: 3898600 -236.302 -143.051 4.66933 -184.685 -139.047 188.503 -53.6507 162.877 -108.685 PRESSAVG: 3898600 -26.1907 44.2132 -75.1806 44.2132 40.5519 17.6287 -75.1807 17.6287 43.6777 GPRESSAVG: 3898600 -25.952 45.7805 -74.1208 45.2098 40.4369 17.9332 -76.2401 16.3874 43.4577 TIMING: 3898600 CPU: 11726.7, 0.00297743/step Wall: 11726.7, 0.00297743/step, 0.910928 hours remaining, 209.628906 MB of memory in use. ENERGY: 3898600 745.5080 2092.1012 1934.7786 118.8541 -206343.5253 17766.3457 0.0000 0.0000 34315.3601 -149370.5776 299.6846 -183685.9377 -149272.9810 299.1201 -192.2838 -161.3447 557959.7409 19.3463 19.3142 PRESSURE: 3898800 18.0501 22.7591 -11.6881 22.7592 -388.433 30.2548 -11.6873 30.2566 107.703 GPRESSURE: 3898800 50.765 -11.4855 29.6991 83.6655 -332.754 -17.3433 17.8722 -14.4899 128.117 PRESSAVG: 3898800 -66.0539 -28.6753 16.2442 -28.6754 34.0648 6.65928 16.2442 6.65927 43.3071 GPRESSAVG: 3898800 -65.8514 -30.7821 16.3533 -27.6234 34.404 8.43243 17.3333 7.80147 43.0325 TIMING: 3898800 CPU: 11727.2, 0.00298407/step Wall: 11727.2, 0.00298407/step, 0.912794 hours remaining, 209.628906 MB of memory in use. ENERGY: 3898800 729.9277 2073.9770 1920.0642 98.1895 -206338.2317 17761.7136 0.0000 0.0000 34263.0519 -149491.3077 299.2278 -183754.3596 -149386.1077 298.1185 -87.5598 -51.2905 557436.0180 3.7727 3.8617 PRESSURE: 3899000 157.406 -21.0921 161.831 -21.0917 -0.460299 55.0324 161.831 55.0326 -7.37317 GPRESSURE: 3899000 195.996 -11.6483 133.706 -62.4284 46.9955 -68.3644 345.415 119.833 8.79452 PRESSAVG: 3899000 -18.3599 5.45535 78.4511 5.45535 19.6278 -40.5207 78.4511 -40.5206 -5.9902 GPRESSAVG: 3899000 -17.6523 7.51996 78.9311 5.42937 18.3574 -41.1414 77.8534 -39.7983 -5.45622 TIMING: 3899000 CPU: 11727.8, 0.00300085/step Wall: 11727.8, 0.00300085/step, 0.917761 hours remaining, 209.628906 MB of memory in use. ENERGY: 3899000 752.6663 2091.4119 1921.5684 125.2269 -206509.2229 17752.9238 0.0000 0.0000 34355.8508 -149509.5748 300.0382 -183865.4255 -149415.4942 297.9407 49.8575 83.9287 556367.9395 -1.5741 -1.5837 PRESSURE: 3899200 -92.1312 -6.0505 60.3116 -6.04875 344.156 104.368 60.3116 104.367 -26.5969 GPRESSURE: 3899200 -38.9371 -39.3729 52.6472 33.0861 324.48 86.4953 103.826 209.381 29.5099 PRESSAVG: 3899200 -6.97589 3.80332 37.3561 3.80331 33.5896 -24.2503 37.3562 -24.2502 -8.69905 GPRESSAVG: 3899200 -7.05649 3.7627 35.0197 1.91505 33.4375 -25.631 36.3123 -23.5039 -8.226 TIMING: 3899200 CPU: 11728.4, 0.00298127/step Wall: 11728.4, 0.00298127/step, 0.911605 hours remaining, 209.628906 MB of memory in use. ENERGY: 3899200 732.9152 2135.5848 1934.2366 117.0933 -206770.3597 18074.1239 0.0000 0.0000 34243.9093 -149532.4966 299.0606 -183776.4059 -149435.5140 299.2418 75.1425 105.0176 558518.6091 5.9716 6.0517 PRESSURE: 3899400 5.4946 147.194 -36.1117 147.195 -148.867 10.3643 -36.111 10.3643 82.5605 GPRESSURE: 3899400 59.394 108.119 38.7818 116.938 -76.4589 -47.3702 -42.5844 17.4555 48.0357 PRESSAVG: 3899400 9.16336 5.3874 -13.6325 5.38739 26.0748 -7.43204 -13.6325 -7.43204 -30.5741 GPRESSAVG: 3899400 9.90193 4.83039 -13.292 6.99446 26.3148 -3.50044 -12.8958 -10.4649 -31.6433 TIMING: 3899400 CPU: 11729, 0.00298028/step Wall: 11729, 0.00298028/step, 0.911138 hours remaining, 209.628906 MB of memory in use. ENERGY: 3899400 728.9910 2090.4700 1956.3081 114.5619 -206495.6040 17981.9481 0.0000 0.0000 34052.5373 -149570.7877 297.3893 -183623.3250 -149477.1883 298.7717 -20.2705 10.3236 558057.4788 1.5547 1.5245 PRESSURE: 3899600 111.393 81.9984 -26.5084 81.9988 108.467 -192.001 -26.5083 -192.002 -22.8362 GPRESSURE: 3899600 168.83 105.076 -133.663 147.756 115.679 -89.2743 40.8404 -201.178 6.4442 PRESSAVG: 3899600 -34.6412 32.1574 -41.5136 32.1574 -1.04241 -34.7959 -41.5137 -34.796 45.8722 GPRESSAVG: 3899600 -35.9934 30.254 -41.1488 32.5693 -2.13694 -37.7018 -40.906 -35.5689 47.7728 TIMING: 3899600 CPU: 11729.6, 0.00297841/step Wall: 11729.6, 0.00297841/step, 0.910401 hours remaining, 209.628906 MB of memory in use. ENERGY: 3899600 731.7799 2108.1277 1929.7751 114.3858 -206646.3812 18084.4250 0.0000 0.0000 33997.0247 -149680.8629 296.9045 -183677.8877 -149583.7468 297.9345 65.6747 96.9842 557753.3909 3.3962 3.2142 PRESSURE: 3899800 -35.983 235.111 53.1387 235.112 -48.5334 98.5517 53.1395 98.5533 278.503 GPRESSURE: 3899800 -2.88543 246.394 -16.9856 202.754 -14.144 23.8405 165.448 134.607 316.831 PRESSAVG: 3899800 -12.382 -4.23907 -11.5754 -4.23903 4.91839 2.52017 -11.5754 2.52017 -17.8782 GPRESSAVG: 3899800 -12.2251 -1.22469 -11.7951 -6.02875 5.30981 1.93021 -10.8565 5.42045 -17.8876 TIMING: 3899800 CPU: 11730.2, 0.00302006/step Wall: 11730.2, 0.00302006/step, 0.922965 hours remaining, 209.628906 MB of memory in use. ENERGY: 3899800 722.9442 2110.4612 1898.4625 109.0743 -206558.8890 18054.8814 0.0000 0.0000 34005.2200 -149657.8454 296.9760 -183663.0654 -149562.2831 297.3585 64.6623 99.9338 558193.5262 -8.4473 -8.2676 PRESSURE: 3900000 -46.9589 266.879 97.8616 266.879 -388.829 -34.7032 97.8621 -34.7042 -145.975 GPRESSURE: 3900000 -38.4731 261.303 26.9807 176.053 -324.966 -77.7853 127.285 -31.0185 -135.59 PRESSAVG: 3900000 -32.7027 27.7217 -22.9543 27.7218 -0.345477 -20.9429 -22.9542 -20.9429 56.1899 GPRESSAVG: 3900000 -31.3802 26.8204 -22.7956 27.3476 0.23428 -19.7423 -24.4543 -20.2042 54.4707 TIMING: 3900000 CPU: 11730.8, 0.00304325/step Wall: 11730.8, 0.00304325/step, 0.929883 hours remaining, 209.773438 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: 3900000 743.7299 2029.8295 1921.9437 103.2140 -206136.6285 17601.0782 0.0000 0.0000 33927.4794 -149809.3537 296.2971 -183736.8332 -149708.9677 297.6908 -193.9209 -166.3429 558774.6785 7.7139 7.7749 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3900000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 3900000 WRITING COORDINATES TO RESTART FILE AT STEP 3900000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3900200 -159.997 167.077 -54.4018 167.077 184.104 137.144 -54.4014 137.145 16.0445 GPRESSURE: 3900200 -137.165 187.169 -23.1427 108.207 201.947 142.355 -61.7164 167.926 68.1695 PRESSAVG: 3900200 -69.9996 -19.0784 39.1358 -19.0784 6.71878 39.3958 39.1359 39.3959 39.0984 GPRESSAVG: 3900200 -71.529 -18.7819 38.7159 -17.7859 6.41912 39.0193 39.7192 37.8751 40.455 TIMING: 3900200 CPU: 11731.5, 0.00312467/step Wall: 11731.5, 0.00312467/step, 0.954588 hours remaining, 210.101562 MB of memory in use. ENERGY: 3900200 728.7222 2062.2348 1945.1232 97.1395 -206776.4370 17953.9637 0.0000 0.0000 34056.4146 -149932.8391 297.4231 -183989.2537 -149837.5345 297.1179 13.3839 44.3171 557543.6379 -8.0608 -8.2183 LDB: ============= START OF LOAD BALANCING ============== 11735 LDB: ============== END OF LOAD BALANCING =============== 11735 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11735 LDB: ============= START OF LOAD BALANCING ============== 11735.3 LDB: Largest compute 4773 load 0.026767 is 22.6% of average load 0.118224 LDB: Average compute 0.001725 is 1.5% of average load 0.118224 LDB: TIME 11735.3 LOAD: AVG 0.118224 MAX 0.215532 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.258 MB LDB: TIME 11735.3 LOAD: AVG 0.118224 MAX 0.215532 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.258 MB LDB: TIME 11735.3 LOAD: AVG 0.118224 MAX 0.215532 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.258 MB LDB: ============== END OF LOAD BALANCING =============== 11735.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11735.3 PRESSURE: 3900400 -72.1566 32.33 96.9337 32.3289 195.774 20.7352 96.9339 20.7352 3.35767 GPRESSURE: 3900400 -46.7763 -41.3812 88.2673 72.135 232.484 48.2405 9.28995 -8.01987 33.3126 PRESSAVG: 3900400 -11.6643 30.6801 -1.07241 30.6801 38.7993 -5.75385 -1.07246 -5.75392 -23.7322 GPRESSAVG: 3900400 -11.4571 28.1739 0.0843042 33.1241 39.4176 -5.5382 -2.34395 -4.2223 -24.1121 TIMING: 3900400 CPU: 11732.1, 0.00308475/step Wall: 11732.1, 0.00308475/step, 0.942221 hours remaining, 211.312500 MB of memory in use. ENERGY: 3900400 735.4231 2059.3440 1951.7813 104.5573 -207041.9746 18213.4894 0.0000 0.0000 34110.1779 -149867.2017 297.8927 -183977.3796 -149768.7222 296.9794 42.3249 73.0066 556340.8056 1.1343 1.2828 PRESSURE: 3900600 -45.0419 -65.5681 48.139 -65.5681 154.519 134.321 48.1394 134.319 -164.577 GPRESSURE: 3900600 -24.9655 -40.8086 38.8738 6.13473 213.516 131.888 13.1873 187.863 -144.406 PRESSAVG: 3900600 -35.2153 45.861 11.4308 45.861 -11.0083 22.9625 11.4307 22.9625 -20.3541 GPRESSAVG: 3900600 -34.0508 48.571 11.4714 42.2746 -11.7006 23.7452 11.7483 23.2548 -21.0425 TIMING: 3900600 CPU: 11732.7, 0.00301441/step Wall: 11732.7, 0.00301441/step, 0.920567 hours remaining, 211.324219 MB of memory in use. ENERGY: 3900600 761.8291 2092.9624 1927.1270 107.7924 -206320.0920 17786.9745 0.0000 0.0000 33736.5940 -149906.8126 294.6301 -183643.4066 -149808.2937 297.4802 -18.3667 14.7147 557222.7586 -22.1926 -22.2646 PRESSURE: 3900800 -142.325 5.59566 39.7366 5.59551 118.214 -72.6433 39.735 -72.6409 -135.3 GPRESSURE: 3900800 -160.273 33.449 73.3384 38.1595 134.826 -128.684 28.8269 19.7532 -21.6344 PRESSAVG: 3900800 -72.7497 -6.14348 24.8042 -6.14354 16.5191 19.8688 24.8042 19.8688 65.397 GPRESSAVG: 3900800 -74.2992 -7.07118 22.8805 -6.51319 16.5558 19.4634 25.0215 18.4023 66.6652 TIMING: 3900800 CPU: 11733.3, 0.0030372/step Wall: 11733.3, 0.0030372/step, 0.927358 hours remaining, 211.324219 MB of memory in use. ENERGY: 3900800 727.5952 2089.8701 1961.1721 106.6723 -206435.1606 17740.0838 0.0000 0.0000 33986.1296 -149823.6376 296.8093 -183809.7671 -149720.2469 297.8719 -53.1372 -15.6938 556164.1748 3.0555 2.9739 PRESSURE: 3901000 -134.496 207.103 130.196 207.104 205.575 133.304 130.197 133.304 126.828 GPRESSURE: 3901000 -44.4698 278.023 89.4522 179.819 191.066 159 171.683 167.785 150.942 PRESSAVG: 3901000 -61.3738 14.8034 54.3403 14.8033 14.361 -0.0152795 54.3403 -0.0152795 62.5231 GPRESSAVG: 3901000 -61.6474 12.2307 54.7983 17.6803 14.9564 -0.693893 53.7838 1.21373 62.3095 TIMING: 3901000 CPU: 11733.9, 0.00301281/step Wall: 11733.9, 0.00301281/step, 0.919744 hours remaining, 211.324219 MB of memory in use. ENERGY: 3901000 740.5694 2048.1229 1931.1731 106.7694 -206921.2194 18153.2947 0.0000 0.0000 34370.2064 -149571.0834 300.1636 -183941.2898 -149475.4004 298.0525 65.9689 99.1792 556795.5201 5.1701 5.2062 PRESSURE: 3901200 134.247 -129.702 8.30002 -129.703 -189.807 -35.4455 8.3 -35.4454 73.4922 GPRESSURE: 3901200 103.655 -124.345 27.7629 -113.853 -131.256 -26.6638 72.5282 -69.5785 135.156 PRESSAVG: 3901200 -29.1574 62.9789 15.027 62.9789 -12.5983 17.2477 15.027 17.2478 41.9084 GPRESSAVG: 3901200 -27.4956 63.7109 15.1927 62.3143 -12.7565 17.8134 15.3427 14.452 40.8861 TIMING: 3901200 CPU: 11734.5, 0.00300389/step Wall: 11734.5, 0.00300389/step, 0.916855 hours remaining, 211.324219 MB of memory in use. ENERGY: 3901200 737.2379 2044.0070 1924.2788 116.2753 -206382.2458 17982.4910 0.0000 0.0000 33968.6467 -149609.3092 296.6566 -183577.9558 -149509.3477 298.2491 5.9773 35.8520 557896.9791 0.0509 0.2114 PRESSURE: 3901400 -60.1985 -16.9524 -127.206 -16.9523 -92.0221 172.193 -127.205 172.195 -350.439 GPRESSURE: 3901400 14.2936 -116.655 -23.1443 29.5364 -107.983 121.406 -172.824 246.932 -292.646 PRESSAVG: 3901400 -22.0791 -18.7964 -117.888 -18.7964 -19.894 4.54903 -117.888 4.54924 22.2184 GPRESSAVG: 3901400 -21.9447 -18.3697 -116.38 -19.1306 -19.3111 3.83153 -118.959 7.56979 22.0586 TIMING: 3901400 CPU: 11735.1, 0.00299137/step Wall: 11735.1, 0.00299137/step, 0.912867 hours remaining, 211.324219 MB of memory in use. ENERGY: 3901400 768.9741 2058.8865 1909.2023 121.7046 -206574.9892 17758.9324 0.0000 0.0000 34181.7723 -149775.5170 298.5179 -183957.2893 -149683.7730 297.9363 -167.5532 -128.7786 557394.8775 -6.5849 -6.3991 PRESSURE: 3901600 609.941 -94.4006 -24.1912 -94.401 -4.87595 60.8721 -24.1896 60.8714 34.593 GPRESSURE: 3901600 589.637 -201.994 -49.9324 -40.0454 33.6422 136.249 16.2843 31.3352 106.422 PRESSAVG: 3901600 77.4654 -37.5469 -36.9922 -37.5469 -39.2248 40.899 -36.9922 40.899 -19.1637 GPRESSAVG: 3901600 77.2108 -37.9864 -37.6024 -37.5217 -39.5289 43.4803 -34.5731 38.6664 -19.3703 TIMING: 3901600 CPU: 11735.7, 0.00297235/step Wall: 11735.7, 0.00297235/step, 0.906896 hours remaining, 211.324219 MB of memory in use. ENERGY: 3901600 733.8120 2090.8031 1949.4405 113.8508 -207157.8031 18233.9638 0.0000 0.0000 34390.4434 -149645.4894 300.3403 -184035.9328 -149550.1856 297.7290 213.2193 243.2339 556615.5046 6.3590 6.1039 PRESSURE: 3901800 -182.578 -79.2972 -40.9288 -79.2975 167.21 4.76345 -40.9275 4.76268 -163.221 GPRESSURE: 3901800 -147.83 -68.3077 15.5729 -6.1706 197.553 47.5348 -61.5582 -70.6423 -129.32 PRESSAVG: 3901800 104.508 57.561 51.7511 57.561 -35.5552 42.1662 51.7511 42.1663 -46.2688 GPRESSAVG: 3901800 104.744 59.0921 50.2688 57.2006 -35.4979 40.4724 50.5247 45.0106 -46.4779 TIMING: 3901800 CPU: 11736.3, 0.00301345/step Wall: 11736.3, 0.00301345/step, 0.91927 hours remaining, 211.617188 MB of memory in use. ENERGY: 3901800 764.5357 2067.8701 1927.9921 107.4083 -206554.4078 17989.4129 0.0000 0.0000 34072.5388 -149624.6499 297.5640 -183697.1887 -149531.0789 298.6083 -59.5295 -26.5322 557591.4825 7.5613 7.5895 PRESSURE: 3902000 -186.512 -92.7617 -93.0568 -92.7607 143.147 32.827 -93.0555 32.8271 -122.561 GPRESSURE: 3902000 -162.452 -78.3013 -54.5482 -138.617 173.263 -52.8508 -39.7471 86.2242 -95.8949 PRESSAVG: 3902000 -66.4943 -25.4868 -19.5019 -25.4869 0.0780908 77.555 -19.5018 77.555 -0.660813 GPRESSAVG: 3902000 -68.3316 -24.5713 -20.696 -26.1935 0.677845 77.0629 -18.2508 76.0819 -0.115103 TIMING: 3902000 CPU: 11736.9, 0.00298981/step Wall: 11736.9, 0.00298981/step, 0.911893 hours remaining, 211.617188 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: 3902000 739.9280 2111.6860 1902.8390 108.2882 -206392.8973 17777.7437 0.0000 0.0000 34007.2761 -149745.1362 296.9940 -183752.4123 -149651.0455 297.5731 -55.3085 -28.3612 557356.3633 -22.3590 -22.5896 PRESSURE: 3902200 -241.442 -232.749 45.2128 -232.75 -150.394 197.798 45.2121 197.798 -160.875 GPRESSURE: 3902200 -194.602 -208.416 -38.7813 -213.249 -151.048 123.989 187.262 266.454 -105.554 PRESSAVG: 3902200 10.4777 -29.6294 24.3354 -29.6293 80.7152 19.318 24.3355 19.318 -53.6603 GPRESSAVG: 3902200 10.7307 -29.6517 26.5769 -28.3071 80.9887 20.8158 20.6018 19.043 -54.3519 TIMING: 3902200 CPU: 11737.5, 0.00296661/step Wall: 11737.5, 0.00296661/step, 0.90465 hours remaining, 211.617188 MB of memory in use. ENERGY: 3902200 768.8317 2038.5322 1911.8002 113.4241 -206328.3006 17619.4853 0.0000 0.0000 34118.1427 -149758.0844 297.9622 -183876.2271 -149661.5122 297.7304 -184.2370 -150.4012 557707.8032 12.5108 12.4559 PRESSURE: 3902400 -11.5856 14.7559 -29.2612 14.7553 14.1229 -158.034 -29.2614 -158.034 -268.994 GPRESSURE: 3902400 -1.77455 -51.9263 -14.0705 46.2787 62.3789 -142.591 -65.553 -180.149 -238.954 PRESSAVG: 3902400 -4.59045 4.47133 20.491 4.47118 -28.4372 -13.1052 20.491 -13.1052 1.09061 GPRESSAVG: 3902400 -4.26207 2.94192 21.3763 2.77705 -29.2173 -14.9569 20.653 -11.9706 1.73116 TIMING: 3902400 CPU: 11738.1, 0.00296934/step Wall: 11738.1, 0.00296934/step, 0.90532 hours remaining, 211.617188 MB of memory in use. ENERGY: 3902400 704.7906 2080.7811 1941.2541 119.8319 -206474.7143 17759.8220 0.0000 0.0000 34026.9056 -149841.3290 297.1654 -183868.2346 -149743.7781 296.9659 -88.8188 -59.4500 557763.1196 -10.6457 -10.5827 PRESSURE: 3902600 -94.1637 -40.7652 -212.755 -40.7653 24.8452 39.4551 -212.754 39.4543 -77.5724 GPRESSURE: 3902600 -45.3781 -34.0862 -220.745 -100.068 38.5557 98.6801 -192.339 -20.3893 -40.3675 PRESSAVG: 3902600 0.762437 1.65194 9.32095 1.65188 36.9999 -21.4313 9.321 -21.4313 7.91527 GPRESSAVG: 3902600 1.96566 3.88525 7.10553 1.4502 35.6388 -22.0707 11.5285 -22.0068 7.8955 TIMING: 3902600 CPU: 11738.7, 0.00297755/step Wall: 11738.7, 0.00297755/step, 0.907655 hours remaining, 211.617188 MB of memory in use. ENERGY: 3902600 747.7511 2064.1812 1935.7113 103.7745 -206644.0808 18001.0513 0.0000 0.0000 33960.1099 -149831.5015 296.5821 -183791.6114 -149734.5629 297.3987 -48.9637 -15.7300 557277.6031 15.2259 15.1667 PRESSURE: 3902800 -262.39 -23.7497 87.443 -23.7502 -18.9312 174.94 87.4444 174.941 -108.553 GPRESSURE: 3902800 -240.742 -51.9713 3.53053 -37.441 17.6268 52.3005 200.559 223.21 -68.1422 PRESSAVG: 3902800 -42.7872 -0.841283 32.7165 -0.841379 26.3922 -22.3404 32.7164 -22.3404 -46.4324 GPRESSAVG: 3902800 -43.9804 -4.03136 33.3893 0.45732 28.5638 -22.3056 31.3861 -22.4733 -47.2302 TIMING: 3902800 CPU: 11739.3, 0.00296618/step Wall: 11739.3, 0.00296618/step, 0.904026 hours remaining, 211.617188 MB of memory in use. ENERGY: 3902800 761.2994 2166.6066 1908.8787 103.0471 -206582.7769 17886.4868 0.0000 0.0000 34137.2238 -149619.2345 298.1289 -183756.4583 -149515.8669 297.6611 -129.9580 -97.0859 557766.4349 -20.9425 -20.8823 PRESSURE: 3903000 141.602 145.269 231.569 145.268 -18.7567 -62.1457 231.568 -62.1459 -142.82 GPRESSURE: 3903000 159.233 176.65 236.327 74.141 20.1869 -124.14 218.416 -61.4322 -100.688 PRESSAVG: 3903000 -37.6726 -19.1955 66.8665 -19.1956 56.6707 18.3525 66.8666 18.3526 -0.313445 GPRESSAVG: 3903000 -38.1201 -17.9092 65.5002 -19.5122 56.1294 20.3801 68.5036 17.7065 0.276838 TIMING: 3903000 CPU: 11739.9, 0.00302345/step Wall: 11739.9, 0.00302345/step, 0.921311 hours remaining, 211.617188 MB of memory in use. ENERGY: 3903000 773.3178 2081.1065 1945.2280 115.6919 -206254.3329 17779.0437 0.0000 0.0000 34113.3475 -149446.5975 297.9203 -183559.9450 -149350.5552 299.1421 -6.6584 26.2437 557782.0916 6.2282 6.0954 PRESSURE: 3903200 183.146 -179.823 117.38 -179.821 1.12993 163.855 117.381 163.855 -62.0676 GPRESSURE: 3903200 184.935 -150.01 40.5114 -249.954 21.3364 179.367 49.3881 197.858 13.461 PRESSAVG: 3903200 -11.8094 -34.3667 33.8616 -34.3667 14.8625 -10.7274 33.8615 -10.7273 1.26592 GPRESSAVG: 3903200 -10.5691 -35.6533 35.5553 -33.8191 14.5901 -10.7898 32.5884 -10.8239 1.14116 TIMING: 3903200 CPU: 11740.5, 0.0029947/step Wall: 11740.5, 0.0029947/step, 0.912384 hours remaining, 211.617188 MB of memory in use. ENERGY: 3903200 753.7096 2137.7305 1951.8609 113.3227 -206611.3830 18064.4994 0.0000 0.0000 34154.5091 -149435.7508 298.2798 -183590.2599 -149339.1547 298.5720 40.7361 73.2441 557840.1669 1.4397 1.7207 PRESSURE: 3903400 96.2467 -147.557 51.7477 -147.556 -54.3546 44.623 51.7478 44.6205 -50.3306 GPRESSURE: 3903400 110.769 -81.7862 30.1031 -166.134 -26.5441 78.8295 113.869 47.2289 -1.04039 PRESSAVG: 3903400 -3.53093 -14.7241 -15.6118 -14.7241 42.8117 -10.2666 -15.6118 -10.2666 -19.7806 GPRESSAVG: 3903400 -3.24825 -13.9039 -16.876 -14.5797 41.849 -10.4669 -14.8246 -10.122 -19.1644 TIMING: 3903400 CPU: 11741.1, 0.00296448/step Wall: 11741.1, 0.00296448/step, 0.903014 hours remaining, 211.617188 MB of memory in use. ENERGY: 3903400 757.7421 2140.8878 1946.2975 122.1630 -206476.8740 18028.4233 0.0000 0.0000 34062.4192 -149418.9410 297.4756 -183481.3602 -149328.7217 299.2238 -2.8129 27.7281 558937.0138 6.5001 6.4788 PRESSURE: 3903600 -209.187 251.134 225.624 251.135 85.1247 13.5458 225.624 13.5444 -12.0241 GPRESSURE: 3903600 -201.285 255.314 217.045 234.274 129.937 46.3661 211.392 17.042 23.514 PRESSAVG: 3903600 -38.4882 4.02622 -2.55927 4.02608 26.4905 -12.1673 -2.55941 -12.1672 -7.62754 GPRESSAVG: 3903600 -38.2143 3.45487 -1.82749 3.72496 27.4353 -13.1323 -2.28243 -11.4243 -8.40238 TIMING: 3903600 CPU: 11741.7, 0.00300653/step Wall: 11741.7, 0.00300653/step, 0.915655 hours remaining, 211.617188 MB of memory in use. ENERGY: 3903600 769.4780 2154.5836 1910.5450 129.0207 -206576.8443 17817.4652 0.0000 0.0000 34477.4581 -149318.2937 301.1002 -183795.7518 -149223.5553 298.6860 -45.3620 -15.9446 557259.0343 -6.5418 -6.3938 PRESSURE: 3903800 -41.3943 27.0496 -3.12739 27.0505 57.8742 -25.6666 -3.12759 -25.6665 103.748 GPRESSURE: 3903800 15.9186 -74.2692 -68.7918 36.1181 118.658 -43.161 40.7506 -14.9983 73.5795 PRESSAVG: 3903800 -26.2921 -23.8187 35.0435 -23.8187 64.1824 0.359864 35.0435 0.359791 -26.6368 GPRESSAVG: 3903800 -26.9917 -22.4175 33.2171 -23.8933 64.7629 1.60042 36.0087 -1.2282 -25.972 TIMING: 3903800 CPU: 11742.3, 0.00299406/step Wall: 11742.3, 0.00299406/step, 0.91169 hours remaining, 211.617188 MB of memory in use. ENERGY: 3903800 712.3410 2173.4213 1941.3850 127.9127 -206090.2773 17693.0504 0.0000 0.0000 34042.1503 -149400.0166 297.2986 -183442.1669 -149304.5788 298.6081 40.0761 69.3853 556851.9127 3.7512 3.9330 PRESSURE: 3904000 -189.039 -30.0349 215.21 -30.0347 -52.8585 -7.62993 215.21 -7.62774 -101.778 GPRESSURE: 3904000 -172.067 -117.506 253.178 -101.205 -21.4832 8.50581 144.075 59.62 -49.4512 PRESSAVG: 3904000 -35.7287 -47.7752 0.629505 -47.7752 75.4815 -9.22598 0.629459 -9.22591 -14.4309 GPRESSAVG: 3904000 -36.0836 -48.539 3.11173 -47.7308 75.2808 -10.0062 -2.23185 -8.04656 -13.9604 TIMING: 3904000 CPU: 11742.9, 0.00299065/step Wall: 11742.9, 0.00299065/step, 0.910486 hours remaining, 211.617188 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: 3904000 721.3594 2206.2547 1891.6014 107.1704 -206359.0183 17604.6825 0.0000 0.0000 34367.8277 -149460.1222 300.1428 -183827.9499 -149352.5710 299.6282 -114.5586 -81.0005 556171.4046 8.4406 8.4123 PRESSURE: 3904200 -16.5373 -33.3334 -39.6639 -33.3329 59.7418 74.4297 -39.6648 74.4293 4.29764 GPRESSURE: 3904200 43.8565 -16.677 -69.5572 14.6801 28.4996 20.449 -94.4189 81.4412 53.8589 PRESSAVG: 3904200 -11.952 -43.4208 43.7925 -43.4208 41.4102 -0.263396 43.7925 -0.26346 -49.8712 GPRESSAVG: 3904200 -11.4182 -45.2716 42.7508 -41.5524 41.2998 -1.65696 45.8615 0.701661 -50.5386 TIMING: 3904200 CPU: 11743.5, 0.00299292/step Wall: 11743.5, 0.00299292/step, 0.911012 hours remaining, 211.617188 MB of memory in use. ENERGY: 3904200 752.5840 2075.1652 1948.6307 104.8434 -206750.2602 17934.7633 0.0000 0.0000 34327.4425 -149606.8312 299.7901 -183934.2737 -149524.0299 299.2164 15.8340 42.0716 557498.1830 -6.8043 -6.8857 LDB: ============= START OF LOAD BALANCING ============== 11747 LDB: ============== END OF LOAD BALANCING =============== 11747 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11747 LDB: ============= START OF LOAD BALANCING ============== 11747.3 LDB: Largest compute 4773 load 0.027052 is 22.9% of average load 0.118296 LDB: Average compute 0.001727 is 1.5% of average load 0.118296 LDB: TIME 11747.3 LOAD: AVG 0.118296 MAX 0.215175 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.324 MB LDB: TIME 11747.3 LOAD: AVG 0.118296 MAX 0.215175 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.395 MB LDB: TIME 11747.3 LOAD: AVG 0.118296 MAX 0.215175 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.395 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11747.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11747.3 PRESSURE: 3904400 -23.225 7.38006 -137.415 7.37964 39.8662 78.3727 -137.414 78.3731 36.8039 GPRESSURE: 3904400 28.2721 26.502 -47.526 32.8664 49.3422 112.556 -221.535 -5.41288 66.3022 PRESSAVG: 3904400 -30.0726 -43.9881 23.3099 -43.9881 -8.12715 -17.5865 23.31 -17.5865 9.39333 GPRESSAVG: 3904400 -30.3992 -40.79 22.2791 -45.2529 -8.12755 -17.9101 20.8199 -18.2889 9.84816 TIMING: 3904400 CPU: 11744.1, 0.00304795/step Wall: 11744.1, 0.00304795/step, 0.927593 hours remaining, 208.996094 MB of memory in use. ENERGY: 3904400 747.7565 2088.3164 1954.2495 115.0129 -206338.2615 17698.1316 0.0000 0.0000 34165.0039 -149569.7907 298.3715 -183734.7946 -149471.2622 298.7645 17.8150 47.9722 557191.0056 -9.6021 -9.5595 PRESSURE: 3904600 -201.445 -21.2777 180.064 -21.2787 -255.057 24.4475 180.064 24.4466 -105.223 GPRESSURE: 3904600 -191.105 -26.234 152.453 -44.4261 -158.737 5.80913 239.485 -44.0324 -114.303 PRESSAVG: 3904600 -13.9796 9.77995 21.1053 9.77999 41.6944 -10.1714 21.1054 -10.1713 -25.6017 GPRESSAVG: 3904600 -14.3818 9.37704 22.5468 9.24361 42.7176 -9.0937 22.7573 -7.93432 -25.5494 TIMING: 3904600 CPU: 11744.7, 0.00300187/step Wall: 11744.7, 0.00300187/step, 0.913402 hours remaining, 209.066406 MB of memory in use. ENERGY: 3904600 760.6263 2041.2813 1920.6428 118.2556 -206316.8480 17714.0052 0.0000 0.0000 34263.1688 -149498.8680 299.2288 -183762.0368 -149405.6554 298.9444 -187.2416 -154.7148 558444.6949 0.7044 0.9288 PRESSURE: 3904800 109.605 -78.4433 -18.5468 -78.4445 325.127 51.2358 -18.5485 51.236 -85.5964 GPRESSURE: 3904800 147.683 -25.8772 -18.7779 -73.3417 360.804 132.176 -2.24111 8.19535 -61.7106 PRESSAVG: 3904800 -10.7018 -24.8213 -10.975 -24.8213 13.3859 -12.4534 -10.9749 -12.4534 -38.7537 GPRESSAVG: 3904800 -11.5384 -24.2376 -10.4194 -24.5686 13.5251 -13.0842 -11.5366 -15.3334 -37.8332 TIMING: 3904800 CPU: 11745.3, 0.00297847/step Wall: 11745.3, 0.00297847/step, 0.906117 hours remaining, 209.066406 MB of memory in use. ENERGY: 3904800 744.9626 2118.8113 1941.5674 123.1085 -206707.6001 18176.7118 0.0000 0.0000 34141.6986 -149460.7400 298.1679 -183602.4386 -149367.3690 299.3607 116.3787 148.9255 557169.2908 -12.0232 -11.9488 PRESSURE: 3905000 -226.492 -186.654 -59.4922 -186.655 -201.42 -50.3623 -59.4914 -50.3621 -90.8699 GPRESSURE: 3905000 -120.781 -179.726 -80.3784 -195.987 -173.648 -146.483 6.04574 -29.1755 -121.754 PRESSAVG: 3905000 3.49087 -30.1341 -17.7085 -30.1341 73.6421 -7.94539 -17.7085 -7.94531 -74.8482 GPRESSAVG: 3905000 5.12073 -31.726 -17.8924 -28.8845 72.9029 -7.43074 -16.926 -5.97329 -75.2836 TIMING: 3905000 CPU: 11745.9, 0.00298327/step Wall: 11745.9, 0.00298327/step, 0.907411 hours remaining, 209.066406 MB of memory in use. ENERGY: 3905000 738.1045 2144.1463 1953.0468 119.0916 -206316.4719 17607.9154 0.0000 0.0000 34244.7950 -149509.3724 299.0683 -183754.1674 -149409.5548 298.4503 -172.9273 -138.7277 557669.7085 0.7616 0.9134 PRESSURE: 3905200 -124.561 -198.072 -278.309 -198.073 -61.0622 -118.386 -278.309 -118.387 -278 GPRESSURE: 3905200 -99.7681 -198.846 -307.571 -179.46 -50.6601 -81.8979 -286.206 -119.499 -208.553 PRESSAVG: 3905200 23.2106 -59.5769 -26.4584 -59.5769 44.2379 19.2807 -26.4583 19.2805 -22.7907 GPRESSAVG: 3905200 22.7731 -59.4501 -26.8248 -60.4859 44.6658 19.7753 -28.6393 16.7176 -23.1991 TIMING: 3905200 CPU: 11746.5, 0.00299326/step Wall: 11746.5, 0.00299326/step, 0.910285 hours remaining, 209.066406 MB of memory in use. ENERGY: 3905200 772.0459 2111.7727 1905.1841 123.2588 -206256.6394 17532.5595 0.0000 0.0000 34418.9497 -149392.8687 300.5892 -183811.8184 -149301.6510 298.9200 -154.5411 -119.6604 556782.8590 14.8859 14.7466 PRESSURE: 3905400 -79.6279 -81.1259 -64.8352 -81.1261 165.064 46.2475 -64.8349 46.2495 -137.703 GPRESSURE: 3905400 -79.436 -66.0234 -128.073 -139.301 219.008 37.4135 -91.0369 -6.47287 -92.5361 PRESSAVG: 3905400 64.117 -26.1073 -48.3832 -26.1073 5.03004 -8.30822 -48.3831 -8.30823 -29.6745 GPRESSAVG: 3905400 63.1112 -25.1201 -46.6613 -28.7595 5.67453 -8.41445 -46.9337 -8.88037 -29.4808 TIMING: 3905400 CPU: 11747.1, 0.00297147/step Wall: 11747.1, 0.00297147/step, 0.903491 hours remaining, 209.066406 MB of memory in use. ENERGY: 3905400 770.2014 2146.7046 1954.6111 117.7509 -206168.5134 17755.2631 0.0000 0.0000 34242.1162 -149181.8660 299.0449 -183423.9822 -149082.2473 299.5625 -17.4223 15.6788 557248.3577 13.1575 13.1016 PRESSURE: 3905600 -33.4583 -78.501 78.5384 -78.5019 -149.665 0.327952 78.5373 0.32854 31.8439 GPRESSURE: 3905600 44.7171 -66.3721 112.103 -17.6593 -123.532 -1.1764 -9.56176 7.30162 39.9483 PRESSAVG: 3905600 9.32051 -39.8567 -58.4034 -39.8567 -91.326 46.6834 -58.4034 46.6834 87.3617 GPRESSAVG: 3905600 10.2481 -42.8262 -59.9435 -35.3099 -92.7666 46.7883 -60.1384 50.0828 87.9607 TIMING: 3905600 CPU: 11747.7, 0.00301597/step Wall: 11747.7, 0.00301597/step, 0.916856 hours remaining, 209.066406 MB of memory in use. ENERGY: 3905600 786.6829 2058.7559 1928.1009 102.3644 -206016.2117 17731.8747 0.0000 0.0000 34183.4687 -149224.9641 298.5327 -183408.4328 -149135.0255 298.9446 -50.4265 -12.9555 556600.8572 1.7854 1.8141 PRESSURE: 3905800 58.4167 55.0402 -11.4532 55.0416 95.2867 21.6348 -11.452 21.6358 106.114 GPRESSURE: 3905800 152.794 -12.4317 -2.26367 74.2087 122.764 11.2865 8.03462 30.7846 72.1552 PRESSAVG: 3905800 27.3268 -8.13507 18.2969 -8.13515 -111.36 7.66868 18.2969 7.66851 24.0572 GPRESSAVG: 3905800 26.6559 -5.19757 17.894 -11.4396 -110.097 8.10827 21.5817 5.12644 23.1562 TIMING: 3905800 CPU: 11748.3, 0.00295905/step Wall: 11748.3, 0.00295905/step, 0.899388 hours remaining, 209.066406 MB of memory in use. ENERGY: 3905800 762.9066 2120.9028 1921.4346 123.4567 -206018.0595 17714.4115 0.0000 0.0000 34206.4585 -149168.4889 298.7335 -183374.9474 -149075.1051 299.2704 86.6058 115.9043 555180.5415 -19.9920 -20.0950 PRESSURE: 3906000 -239.527 3.67674 -32.4138 3.6767 -189.302 22.8494 -32.4139 22.8499 170.351 GPRESSURE: 3906000 -128.654 -20.3183 -7.54118 96.3204 -184.088 -14.8234 -53.0536 -18.3679 147.049 PRESSAVG: 3906000 3.30776 -19.605 33.3342 -19.6051 -51.1252 5.23568 33.3343 5.23564 60.6831 GPRESSAVG: 3906000 4.12354 -19.7798 33.4621 -17.5566 -52.2603 1.88393 29.7552 6.75909 60.8361 TIMING: 3906000 CPU: 11748.9, 0.00296744/step Wall: 11748.9, 0.00296744/step, 0.901772 hours remaining, 209.066406 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: 3906000 783.3073 2105.8140 1939.4139 106.0995 -206203.4248 17730.7117 0.0000 0.0000 34491.1093 -149046.9693 301.2194 -183538.0786 -148950.8974 299.7033 -86.1594 -55.2311 555544.1568 4.2886 4.2331 PRESSURE: 3906200 -339.257 -101.908 166.028 -101.907 -236.224 63.0834 166.029 63.0841 76.8133 GPRESSURE: 3906200 -350.576 -73.6691 224.047 -269.577 -162.179 -17.1672 163.453 74.7547 110.654 PRESSAVG: 3906200 -53.1214 -39.8247 8.45252 -39.8247 2.7218 63.892 8.45264 63.892 84.0665 GPRESSAVG: 3906200 -53.2857 -39.8324 8.49687 -43.7315 3.16065 65.8393 10.3769 62.573 83.7531 TIMING: 3906200 CPU: 11749.5, 0.00299242/step Wall: 11749.5, 0.00299242/step, 0.909196 hours remaining, 209.066406 MB of memory in use. ENERGY: 3906200 812.7775 2081.1290 1927.8167 99.9262 -205722.3557 17492.9554 0.0000 0.0000 34269.6909 -149038.0601 299.2857 -183307.7510 -148949.4137 300.2441 -166.2226 -134.0336 557263.3357 11.2223 11.2094 PRESSURE: 3906400 -164.481 -44.9954 -76.0015 -44.9962 -179.396 -127.226 -76 -127.226 97.0525 GPRESSURE: 3906400 -123.955 -2.26912 -117.075 -21.8754 -97.9767 -144.159 -148.99 -139.303 71.5227 PRESSAVG: 3906400 -14.0223 9.22331 37.4539 9.22326 -33.3078 56.7721 37.4539 56.7722 28.0946 GPRESSAVG: 3906400 -14.4566 9.12282 37.3121 12.1015 -32.242 57.757 37.1798 58.5241 28.0095 TIMING: 3906400 CPU: 11750, 0.00299776/step Wall: 11750, 0.00299776/step, 0.910654 hours remaining, 209.066406 MB of memory in use. ENERGY: 3906400 756.0357 2110.9109 1916.2287 115.8718 -205948.8997 17614.3224 0.0000 0.0000 34309.2675 -149126.2627 299.6314 -183435.5302 -149027.6313 300.0305 -82.2749 -50.1363 557847.4121 -6.4118 -6.2297 PRESSURE: 3906600 -179.753 223.098 144.462 223.098 -201.963 20.1005 144.461 20.1007 -364.471 GPRESSURE: 3906600 -193.791 290.66 207.086 119.348 -124.586 -12.0403 125.378 -5.86272 -310.206 PRESSAVG: 3906600 -15.8176 -2.34609 40.1689 -2.34606 6.64877 22.3041 40.169 22.304 -8.2523 GPRESSAVG: 3906600 -15.0042 -2.86296 42.3383 -2.40514 5.70236 22.6128 39.4794 21.3365 -8.34002 TIMING: 3906600 CPU: 11750.6, 0.00297508/step Wall: 11750.6, 0.00297508/step, 0.903597 hours remaining, 209.066406 MB of memory in use. ENERGY: 3906600 745.4110 2098.5680 1945.0645 111.3205 -205786.6412 17519.2566 0.0000 0.0000 34357.8324 -149009.1882 300.0555 -183367.0206 -148917.4367 299.3402 -248.7292 -209.5275 558721.7183 -5.8070 -5.8806 PRESSURE: 3906800 -212.435 127.718 10.4346 127.719 63.8584 -10.1803 10.4354 -10.1797 101.783 GPRESSURE: 3906800 -162.05 27.4594 44.0494 178.629 144.216 -34.9248 -43.5952 9.43585 65.7225 PRESSAVG: 3906800 -63.7564 30.2328 31.1329 30.2329 31.8779 49.4572 31.1329 49.4571 45.8976 GPRESSAVG: 3906800 -64.4845 28.485 31.1325 31.2318 32.3166 47.8486 31.6903 50.8286 46.3444 TIMING: 3906800 CPU: 11751.2, 0.00297851/step Wall: 11751.2, 0.00297851/step, 0.904476 hours remaining, 209.066406 MB of memory in use. ENERGY: 3906800 698.2894 2152.5122 1924.2676 108.7165 -205728.9312 17493.6610 0.0000 0.0000 34501.4322 -148850.0522 301.3096 -183351.4844 -148755.8750 299.9175 -15.5979 15.9627 556588.2477 4.6730 4.7255 PRESSURE: 3907000 73.2412 73.8439 113.573 73.8427 -184.674 -56.2976 113.573 -56.2975 -39.153 GPRESSURE: 3907000 136.746 77.8217 41.6597 67.0543 -106.072 -30.5165 184.146 -150.943 -70.3422 PRESSAVG: 3907000 -53.8262 -8.49485 25.9176 -8.49479 56.3875 27.2897 25.9176 27.2899 -8.266 GPRESSAVG: 3907000 -53.0279 -6.28307 24.1467 -9.59433 55.2274 29.1028 24.5217 24.3258 -8.47447 TIMING: 3907000 CPU: 11751.8, 0.00298876/step Wall: 11751.8, 0.00298876/step, 0.90742 hours remaining, 209.066406 MB of memory in use. ENERGY: 3907000 752.2474 2159.0276 1902.6505 113.1875 -206037.8630 17632.5310 0.0000 0.0000 34605.6054 -148872.6136 302.2194 -183478.2189 -148786.2130 300.4413 -50.1953 -13.2227 556144.0517 -1.9016 -2.0917 PRESSURE: 3907200 -18.2876 58.8085 -155.743 58.8082 -140.501 23.4539 -155.743 23.4547 -143.268 GPRESSURE: 3907200 14.8743 28.9626 40.1686 96.782 -127.356 13.1993 -202.564 -16.0483 -93.2042 PRESSAVG: 3907200 -49.8684 10.5256 -26.8482 10.5256 -42.5158 -10.5859 -26.8483 -10.5857 82.8918 GPRESSAVG: 3907200 -49.8394 7.22014 -26.8869 12.5604 -41.4573 -12.2452 -26.0689 -8.76723 82.245 TIMING: 3907200 CPU: 11752.4, 0.00296207/step Wall: 11752.4, 0.00296207/step, 0.899152 hours remaining, 209.066406 MB of memory in use. ENERGY: 3907200 750.9985 2107.4294 1940.6390 115.6982 -205858.5975 17735.7881 0.0000 0.0000 34380.7348 -148827.3095 300.2555 -183208.0443 -148726.2166 301.3851 -100.6855 -68.5619 559142.3196 -3.1642 -3.0173 PRESSURE: 3907400 245.35 49.4812 89.9175 49.4807 116.344 147.602 89.9176 147.602 174.16 GPRESSURE: 3907400 275.266 131.341 38.9497 -18.4493 162.656 99.4791 140.828 163.878 193.107 PRESSAVG: 3907400 1.02571 -22.02 20.6848 -22.02 -57.7852 46.1222 20.6848 46.1224 17.2641 GPRESSAVG: 3907400 0.169169 -21.1933 19.7833 -22.3508 -58.3732 47.0537 21.3849 45.5496 18.275 TIMING: 3907400 CPU: 11753, 0.00296241/step Wall: 11753, 0.00296241/step, 0.899093 hours remaining, 209.066406 MB of memory in use. ENERGY: 3907400 719.9123 2153.0884 1948.9102 100.5987 -206230.4246 18046.0868 0.0000 0.0000 34227.8115 -149034.0166 298.9200 -183261.8282 -148943.2431 300.6198 178.6179 210.3430 556955.1029 -13.1651 -13.3097 PRESSURE: 3907600 -23.8821 133.615 -69.633 133.614 -32.0087 -82.3048 -69.6324 -82.3031 2.30875 GPRESSURE: 3907600 17.0634 202.751 -71.6563 55.124 -11.8076 -37.7476 -103.25 -107.865 39.7384 PRESSAVG: 3907600 -21.6082 54.9788 8.1218 54.9788 15.4836 -8.83695 8.1218 -8.83703 -20.2338 GPRESSAVG: 3907600 -21.3159 56.0557 8.21196 53.747 16.0355 -9.34582 9.07228 -6.33854 -20.5965 TIMING: 3907600 CPU: 11753.6, 0.00297491/step Wall: 11753.6, 0.00297491/step, 0.902719 hours remaining, 209.066406 MB of memory in use. ENERGY: 3907600 767.5939 2127.5827 1935.1455 116.7155 -206318.3138 17929.1684 0.0000 0.0000 34396.7857 -149045.3220 300.3957 -183442.1078 -148953.5515 300.0413 -17.8607 14.9981 559072.1487 -8.7861 -8.6257 PRESSURE: 3907800 -284.541 90.6608 34.5559 90.6588 196.11 -31.0406 34.5575 -31.0409 86.1109 GPRESSURE: 3907800 -167.454 110.221 138.814 88.2931 235.972 -35.0763 58.1944 26.168 23.7361 PRESSAVG: 3907800 -33.2696 -17.762 -48.6433 -17.762 -12.207 24.3281 -48.6433 24.3281 31.0582 GPRESSAVG: 3907800 -32.6495 -18.1833 -48.0583 -17.0207 -12.7256 25.0643 -49.0744 22.0919 30.7048 TIMING: 3907800 CPU: 11754.2, 0.00300689/step Wall: 11754.2, 0.00300689/step, 0.912258 hours remaining, 209.066406 MB of memory in use. ENERGY: 3907800 739.6971 2128.0744 1942.6465 116.5549 -206030.5401 17702.0833 0.0000 0.0000 34334.3706 -149067.1134 299.8506 -183401.4841 -148969.7503 299.5609 -0.7735 30.7511 557372.9040 -4.8061 -4.8901 PRESSURE: 3908000 -158.739 -3.05561 -103.726 -3.0555 -187.178 -22.3926 -103.726 -22.3912 -92.9571 GPRESSURE: 3908000 -77.3644 -12.9624 -169.701 -4.72123 -160.964 22.9181 -45.3054 -108.369 -106.404 PRESSAVG: 3908000 30.7961 -1.98096 -6.22841 -1.98098 -16.66 31.3158 -6.22846 31.3159 34.1391 GPRESSAVG: 3908000 30.8778 -3.70817 -4.76077 -1.59432 -16.5768 33.6649 -7.66175 28.7908 33.7955 TIMING: 3908000 CPU: 11754.8, 0.00299317/step Wall: 11754.8, 0.00299317/step, 0.907929 hours remaining, 209.066406 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: 3908000 724.9544 2098.7838 1932.6702 113.2855 -205852.3307 17516.0512 0.0000 0.0000 34509.1047 -148957.4808 301.3766 -183466.5856 -148854.3595 300.1364 -146.2911 -114.9109 557575.5057 16.0917 16.0321 PRESSURE: 3908200 46.0894 -156.455 -81.1429 -156.455 -148.903 -265.05 -81.1449 -265.05 -60.7727 GPRESSURE: 3908200 60.8961 -69.5323 -113.962 -202.545 -111.737 -308.418 -68.0783 -248.646 -13.4321 PRESSAVG: 3908200 12.385 -31.8128 14.3996 -31.8129 -59.7299 -15.664 14.3995 -15.6641 66.5071 GPRESSAVG: 3908200 11.5099 -28.759 14.5271 -33.5013 -59.677 -17.5535 14.9649 -13.6569 67.53 TIMING: 3908200 CPU: 11755.4, 0.00299042/step Wall: 11755.4, 0.00299042/step, 0.906927 hours remaining, 209.066406 MB of memory in use. ENERGY: 3908200 749.1947 2097.7319 1942.6277 109.8388 -205877.3106 17758.7877 0.0000 0.0000 34101.8627 -149117.2671 297.8200 -183219.1298 -149024.6963 300.2096 -54.5288 -21.4245 556659.7358 6.3874 6.4543 LDB: ============= START OF LOAD BALANCING ============== 11758.9 LDB: ============== END OF LOAD BALANCING =============== 11758.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11758.9 LDB: ============= START OF LOAD BALANCING ============== 11759.2 LDB: Largest compute 4773 load 0.027411 is 23.2% of average load 0.118215 LDB: Average compute 0.001721 is 1.5% of average load 0.118215 LDB: TIME 11759.2 LOAD: AVG 0.118215 MAX 0.214172 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.508 MB LDB: TIME 11759.2 LOAD: AVG 0.118215 MAX 0.214172 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.715 MB LDB: TIME 11759.2 LOAD: AVG 0.118215 MAX 0.214172 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.715 MB LDB: ============== END OF LOAD BALANCING =============== 11759.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11759.2 PRESSURE: 3908400 107.867 -132.672 -21.3714 -132.673 63.1949 188.12 -21.3689 188.12 -180.085 GPRESSURE: 3908400 164.605 -177.73 -54.8774 -82.4953 126.918 210.1 50.0009 232.497 -194.387 PRESSAVG: 3908400 -4.02531 9.87638 -43.7703 9.87652 -7.23707 18.3721 -43.7703 18.3721 -12.574 GPRESSAVG: 3908400 -3.38741 8.34824 -45.7784 10.7891 -7.27601 19.6902 -42.0084 17.5034 -12.8301 TIMING: 3908400 CPU: 11756, 0.00305283/step Wall: 11756, 0.00305283/step, 0.925687 hours remaining, 208.957031 MB of memory in use. ENERGY: 3908400 733.6281 2070.4745 1901.1205 109.9830 -206173.7734 17838.1582 0.0000 0.0000 34393.1149 -149127.2944 300.3636 -183520.4092 -149016.5404 299.8694 -3.0078 32.3786 557571.9783 -7.9455 -7.8312 PRESSURE: 3908600 129.636 22.8565 136.893 22.8567 -185.698 64.959 136.893 64.9589 -63.2325 GPRESSURE: 3908600 157.354 75.4303 116.046 -24.4407 -167.683 -2.58323 131.71 27.577 -19.4458 PRESSAVG: 3908600 22.819 40.6273 23.6729 40.6272 10.3941 24.2346 23.6729 24.2346 -44.4776 GPRESSAVG: 3908600 21.831 37.8296 24.1219 42.083 10.921 23.4705 23.0837 25.3282 -44.5008 TIMING: 3908600 CPU: 11756.6, 0.00297742/step Wall: 11756.6, 0.00297742/step, 0.902656 hours remaining, 208.957031 MB of memory in use. ENERGY: 3908600 747.6336 2057.9166 1935.2662 110.4190 -206104.3836 17781.7151 0.0000 0.0000 34293.3035 -149178.1298 299.4919 -183471.4333 -149075.5804 299.5275 -39.7648 -9.9248 557997.9163 -3.7548 -3.9163 PRESSURE: 3908800 -54.0922 -45.9144 50.6734 -45.9148 -4.91665 -49.1246 50.6721 -49.1229 11.3828 GPRESSURE: 3908800 -43.0464 -87.0473 -19.1301 -7.88429 21.0968 1.22038 113.782 -90.6538 71.2239 PRESSAVG: 3908800 34.1825 -6.43319 -11.9671 -6.43314 2.59627 56.3798 -11.9672 56.3797 -33.8318 GPRESSAVG: 3908800 34.9717 -4.18565 -12.1073 -8.40542 2.53708 57.8136 -13.0727 56.2454 -34.5729 TIMING: 3908800 CPU: 11757.2, 0.00298037/step Wall: 11757.2, 0.00298037/step, 0.903382 hours remaining, 208.957031 MB of memory in use. ENERGY: 3908800 752.1844 2082.2170 1926.9914 115.7760 -206255.5670 17841.0458 0.0000 0.0000 34255.4303 -149281.9220 299.1612 -183537.3524 -149182.2482 299.5097 -15.8753 16.4248 558526.4742 0.9823 0.9786 PRESSURE: 3909000 56.6851 -137.241 31.161 -137.242 30.4804 -9.22345 31.1606 -9.22416 22.9988 GPRESSURE: 3909000 38.1591 -46.0417 61.403 -147.457 55.8019 -21.9424 -29.4797 -120.564 97.1332 PRESSAVG: 3909000 4.98227 -51.1036 -30.873 -51.1037 -52.411 -44.236 -30.873 -44.236 28.0265 GPRESSAVG: 3909000 4.79626 -50.6284 -29.2431 -49.7095 -53.459 -44.7981 -30.5204 -46.1379 29.3503 TIMING: 3909000 CPU: 11757.8, 0.00300964/step Wall: 11757.8, 0.00300964/step, 0.912089 hours remaining, 208.957031 MB of memory in use. ENERGY: 3909000 762.4902 2171.8871 1940.7097 111.1044 -206546.7039 18049.7701 0.0000 0.0000 34111.4341 -149399.3082 297.9036 -183510.7424 -149303.9144 298.5330 36.7214 63.6981 558894.9761 -6.4674 -6.4375 PRESSURE: 3909200 -123.722 -54.1196 69.522 -54.1194 76.5569 -63.54 69.5208 -63.5398 -59.6193 GPRESSURE: 3909200 -76.8414 -121.854 126.268 -6.82963 134.141 -21.7943 77.002 -30.5567 -67.4724 PRESSAVG: 3909200 44.8283 -59.0719 -35.6753 -59.0719 -23.6188 56.7856 -35.6753 56.7855 -22.9774 GPRESSAVG: 3909200 44.5545 -59.7601 -36.2369 -59.914 -23.4366 55.6419 -36.0528 59.4474 -23.2654 TIMING: 3909200 CPU: 11758.4, 0.00300484/step Wall: 11758.4, 0.00300484/step, 0.910465 hours remaining, 208.957031 MB of memory in use. ENERGY: 3909200 749.1312 2102.8530 1966.0770 121.8563 -206077.1112 17773.6119 0.0000 0.0000 34117.5006 -149246.0811 297.9566 -183363.5817 -149151.3736 298.6052 -35.5949 -3.3910 557094.7036 -0.5893 -0.7158 PRESSURE: 3909400 -51.6491 115.778 98.3173 115.779 -97.1048 -106.453 98.3169 -106.453 -137.2 GPRESSURE: 3909400 -32.6078 137.482 81.5416 154.007 -33.831 -72.2497 98.4192 -132.943 -120.536 PRESSAVG: 3909400 67.5533 -2.51926 -24.4207 -2.51927 -28.8751 -31.8522 -24.4209 -31.8521 -8.57632 GPRESSAVG: 3909400 67.8864 -1.50939 -25.454 -3.51877 -29.016 -32.3515 -23.7437 -30.4853 -8.98341 TIMING: 3909400 CPU: 11759, 0.00300928/step Wall: 11759, 0.00300928/step, 0.911644 hours remaining, 209.199219 MB of memory in use. ENERGY: 3909400 756.7636 2109.3227 1952.3590 119.9961 -206113.1542 17742.5136 0.0000 0.0000 34156.4192 -149275.7800 298.2965 -183432.1992 -149174.9554 299.3849 -95.3180 -62.3249 556861.3046 10.0340 9.9624 PRESSURE: 3909600 19.3283 -135.109 -36.3345 -135.11 104.901 -35.6736 -36.3347 -35.6745 -184.781 GPRESSURE: 3909600 -39.4444 -172.746 -31.0513 -93.0076 207.555 -41.5366 -64.7037 -6.70941 -139.119 PRESSAVG: 3909600 22.2409 0.604059 -25.2689 0.604096 -21.6438 -63.6168 -25.2691 -63.6167 -11.8628 GPRESSAVG: 3909600 22.3188 -0.399285 -25.4592 3.10444 -21.76 -62.8588 -26.2836 -63.9129 -11.9395 TIMING: 3909600 CPU: 11759.6, 0.00301101/step Wall: 11759.6, 0.00301101/step, 0.912 hours remaining, 209.199219 MB of memory in use. ENERGY: 3909600 723.1483 2120.3589 1925.9378 110.2589 -206321.1393 17658.6793 0.0000 0.0000 34504.1530 -149278.6031 301.3333 -183782.7561 -149185.7064 298.4972 -20.1838 9.6638 554664.2152 -3.7553 -3.7935 PRESSURE: 3909800 -125.54 57.4899 -28.6764 57.49 -201.557 28.9713 -28.6754 28.9715 -44.6601 GPRESSURE: 3909800 -89.5691 126.703 30.9229 17.3783 -180.03 -13.6386 -69.0555 81.5624 -6.26354 PRESSAVG: 3909800 59.7803 12.2449 -44.6375 12.2449 -9.19568 37.1985 -44.6376 37.1986 -42.1403 GPRESSAVG: 3909800 59.1033 12.6251 -42.2886 10.6969 -8.68666 35.5582 -44.3095 36.7548 -41.8126 TIMING: 3909800 CPU: 11760.2, 0.00299623/step Wall: 11760.2, 0.00299623/step, 0.907359 hours remaining, 209.199219 MB of memory in use. ENERGY: 3909800 764.9332 2140.8579 1944.0011 110.0488 -206404.2865 17711.1428 0.0000 0.0000 34471.5669 -149261.7358 301.0488 -183733.3027 -149161.3728 298.9409 -123.9187 -91.9543 557752.9686 2.8148 2.8680 PRESSURE: 3910000 -61.995 -52.4665 -214.422 -52.4654 254.555 -89.1654 -214.421 -89.1638 -36.6116 GPRESSURE: 3910000 -40.7564 56.7864 -306.996 -123.513 294.465 -114.144 -190.078 -128.216 4.12302 PRESSAVG: 3910000 -33.7544 -2.16191 -63.9364 -2.16194 -32.1509 -18.9803 -63.9363 -18.9803 64.394 GPRESSAVG: 3910000 -33.7939 -1.74049 -66.0317 -3.11793 -31.1576 -16.9209 -63.3259 -20.2662 63.5736 TIMING: 3910000 CPU: 11760.8, 0.00298341/step Wall: 11760.8, 0.00298341/step, 0.903309 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: 3910000 735.9537 2103.1776 1956.9261 119.0546 -206248.3241 17835.9807 0.0000 0.0000 34154.2885 -149342.9430 298.2779 -183497.2315 -149247.7659 298.8619 51.9829 85.9439 556476.2104 -0.5038 -0.4593 PRESSURE: 3910200 -102.536 -92.1087 112.577 -92.1091 -113.078 364.797 112.578 364.795 98.415 GPRESSURE: 3910200 -132.565 -35.1982 83.3054 -73.6857 -3.00456 332.775 44.405 365.837 114.8 PRESSAVG: 3910200 -33.968 20.6537 10.6953 20.6537 20.4842 0.6443 10.6953 0.644182 10.6717 GPRESSAVG: 3910200 -34.2043 21.5005 12.2806 19.6562 19.0721 -0.910064 9.7385 1.24737 11.4698 TIMING: 3910200 CPU: 11761.4, 0.00301372/step Wall: 11761.4, 0.00301372/step, 0.91232 hours remaining, 209.265625 MB of memory in use. ENERGY: 3910200 742.3685 2195.0367 1946.1642 110.7548 -206327.3693 17688.1652 0.0000 0.0000 34393.0427 -149251.8372 300.3630 -183644.8799 -149161.5737 299.3187 -39.0664 -6.9232 557379.8997 -0.9373 -1.2208 PRESSURE: 3910400 -240.817 -51.6489 -60.4396 -51.6485 7.01872 -71.7049 -60.4391 -71.7051 144.56 GPRESSURE: 3910400 -164.668 1.30669 68.1983 -157.269 10.2485 -115.695 -16.8103 -15.0889 154.685 PRESSAVG: 3910400 -23.5363 -1.96441 -2.75685 -1.96447 -33.874 19.4333 -2.75688 19.4332 9.45863 GPRESSAVG: 3910400 -23.3675 -2.95717 -3.10294 -0.913092 -32.4756 19.4865 -4.02066 19.4547 7.95532 TIMING: 3910400 CPU: 11762, 0.00300294/step Wall: 11762, 0.00300294/step, 0.908891 hours remaining, 209.265625 MB of memory in use. ENERGY: 3910400 790.2047 2137.6892 1925.5285 117.4832 -206414.5779 17807.9952 0.0000 0.0000 34255.2673 -149380.4099 299.1598 -183635.6771 -149284.4921 298.9819 -29.7460 0.0885 557644.1959 -15.9839 -15.9626 PRESSURE: 3910600 177.709 24.5986 -34.8928 24.5992 -140.312 67.9248 -34.8928 67.9254 -15.1567 GPRESSURE: 3910600 196.394 7.33184 -35.4623 -16.8623 -98.4526 -19.2828 -55.0863 114.749 15.1886 PRESSAVG: 3910600 -17.1218 -12.448 -9.78639 -12.4479 27.8468 -41.1793 -9.78641 -41.1793 11.4728 GPRESSAVG: 3910600 -17.2772 -12.0386 -9.89265 -13.2761 26.6313 -39.6711 -9.43012 -42.5125 13.0074 TIMING: 3910600 CPU: 11762.6, 0.0029901/step Wall: 11762.6, 0.0029901/step, 0.904837 hours remaining, 209.265625 MB of memory in use. ENERGY: 3910600 777.0811 2116.8766 1967.4173 116.1069 -206334.2047 17926.2635 0.0000 0.0000 34199.0970 -149231.3624 298.6692 -183430.4594 -149141.9427 299.2936 7.4135 37.7101 557638.4044 7.3993 7.4538 PRESSURE: 3910800 -198.086 148.439 -36.951 148.439 11.959 52.1313 -36.9511 52.132 -284.879 GPRESSURE: 3910800 -129.665 186.516 0.0782083 119.124 8.62184 73.1134 -35.0214 125.209 -261.961 PRESSAVG: 3910800 19.8502 20.8875 0.496678 20.8875 5.62112 15.1365 0.496601 15.1364 -43.4843 GPRESSAVG: 3910800 20.9072 21.2423 -1.01432 21.1707 5.88795 14.5736 2.06913 16.1794 -43.9522 TIMING: 3910800 CPU: 11763.2, 0.00299741/step Wall: 11763.2, 0.00299741/step, 0.906884 hours remaining, 209.265625 MB of memory in use. ENERGY: 3910800 802.0136 2054.7203 1967.4658 121.3798 -206346.5366 17883.5276 0.0000 0.0000 34289.8507 -149227.5787 299.4618 -183517.4294 -149129.2762 299.1458 -157.0021 -127.6680 558314.2215 -6.0043 -5.7190 PRESSURE: 3911000 -117.797 -9.25494 129.832 -9.25531 -330.35 124.32 129.833 124.32 19.0914 GPRESSURE: 3911000 -82.0578 45.472 188.297 -75.6537 -333.129 153.858 82.8364 148.921 78.6827 PRESSAVG: 3911000 27.015 13.5297 -14.7937 13.5297 -4.75185 3.60035 -14.7937 3.60027 -31.2655 GPRESSAVG: 3911000 25.3445 15.7784 -16.8983 10.1817 -4.83506 5.09198 -15.4955 3.58358 -30.1827 TIMING: 3911000 CPU: 11763.8, 0.00296053/step Wall: 11763.8, 0.00296053/step, 0.895559 hours remaining, 209.265625 MB of memory in use. ENERGY: 3911000 790.8859 2173.0405 1936.5185 116.4681 -205809.2041 17585.7591 0.0000 0.0000 34045.3540 -149161.1779 297.3265 -183206.5319 -149070.9358 298.8839 -143.0185 -112.1679 557431.0419 -3.0008 -3.2244 PRESSURE: 3911200 492.209 0.682344 177.204 0.682791 -200.362 25.6005 177.204 25.6005 162.632 GPRESSURE: 3911200 507.843 78.9144 255.372 -63.2129 -120.183 53.8229 132.749 6.24926 154.237 PRESSAVG: 3911200 57.1446 -45.6286 69.0671 -45.6286 -51.7566 25.8734 69.0671 25.8734 14.6972 GPRESSAVG: 3911200 57.9123 -48.2591 72.6214 -41.4528 -51.3573 26.4233 68.8444 25.4669 13.7558 TIMING: 3911200 CPU: 11764.4, 0.00297216/step Wall: 11764.4, 0.00297217/step, 0.898915 hours remaining, 209.265625 MB of memory in use. ENERGY: 3911200 767.5699 2123.3517 1940.1599 105.1728 -206415.2690 18137.3613 0.0000 0.0000 34250.6180 -149091.0354 299.1192 -183341.6534 -148996.6437 299.9596 151.4929 180.6321 556417.1077 6.6951 6.7703 PRESSURE: 3911400 -30.6726 -30.979 -88.1902 -30.9791 65.9484 -46.3531 -88.1903 -46.3522 -57.36 GPRESSURE: 3911400 -27.0266 48.8578 -72.2552 1.9085 87.5674 -10.0098 -194.184 -82.3629 25.7308 PRESSAVG: 3911400 9.1145 -21.477 51.9963 -21.477 -28.8007 -0.736954 51.9962 -0.736987 28.5375 GPRESSAVG: 3911400 8.61208 -21.8133 48.234 -21.3933 -28.1009 -3.16191 53.5289 0.674167 28.3443 TIMING: 3911400 CPU: 11765, 0.002978/step Wall: 11765, 0.002978/step, 0.900514 hours remaining, 209.265625 MB of memory in use. ENERGY: 3911400 769.2325 2106.1241 1956.6753 129.1394 -206290.4107 17841.1653 0.0000 0.0000 34386.5947 -149101.4795 300.3067 -183488.0742 -149003.2373 299.9966 -7.3614 28.7572 556354.8750 2.9504 2.9518 PRESSURE: 3911600 29.206 -268.431 77.3849 -268.431 -128.725 77.1791 77.3853 77.1799 124.442 GPRESSURE: 3911600 87.5644 -234.15 9.91114 -282.387 -80.2621 97.787 42.1773 95.3816 131.553 PRESSAVG: 3911600 -16.9763 -56.7897 31.0802 -56.7897 -62.3313 -7.78208 31.0803 -7.78202 38.923 GPRESSAVG: 3911600 -16.0674 -57.2856 32.068 -58.1069 -62.7971 -7.01012 30.8645 -9.2574 39.0627 TIMING: 3911600 CPU: 11765.6, 0.00299352/step Wall: 11765.6, 0.00299352/step, 0.905042 hours remaining, 209.265625 MB of memory in use. ENERGY: 3911600 759.6199 2106.3399 1923.7383 103.6495 -206347.7484 17920.1142 0.0000 0.0000 34320.4184 -149213.8683 299.7287 -183534.2866 -149121.6318 299.6080 8.3077 46.2853 557087.8427 -13.4615 -13.2673 PRESSURE: 3911800 -204.364 -0.85257 -82.9337 -0.853183 -47.1135 -135.561 -82.9335 -135.563 47.5522 GPRESSURE: 3911800 -126.316 57.8809 -44.1554 -10.6165 -30.6006 -162.728 -98.8107 -130.968 50.7859 PRESSAVG: 3911800 -3.70548 -29.1143 -7.95643 -29.1142 33.8868 -22.9053 -7.9564 -22.9052 -7.97125 GPRESSAVG: 3911800 -3.86621 -29.8298 -5.69875 -28.0844 33.5905 -21.0801 -9.22954 -24.9304 -7.744 TIMING: 3911800 CPU: 11766.2, 0.00297454/step Wall: 11766.2, 0.00297454/step, 0.899138 hours remaining, 209.265625 MB of memory in use. ENERGY: 3911800 773.5989 2133.5645 1940.6742 101.5668 -206275.0840 17801.8581 0.0000 0.0000 34296.4497 -149227.3717 299.5194 -183523.8214 -149125.7119 299.6846 -67.9751 -35.3769 557104.2872 7.4034 7.3268 PRESSURE: 3912000 -264.468 150.529 -134.338 150.529 -272.721 74.8117 -134.338 74.8129 -213.153 GPRESSURE: 3912000 -293.219 142.898 -181.461 83.9551 -250.43 118.235 -94.1116 31.1045 -111.585 PRESSAVG: 3912000 -23.0902 -33.6139 -20.332 -33.6141 50.8536 -17.9031 -20.3321 -17.9032 15.5599 GPRESSAVG: 3912000 -24.6356 -32.6744 -20.9318 -32.5929 51.2445 -18.3235 -20.1598 -17.4592 16.5739 TIMING: 3912000 CPU: 11766.8, 0.0029564/step Wall: 11766.8, 0.0029564/step, 0.89349 hours remaining, 209.265625 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: 3912000 757.1601 2043.6997 1943.5623 105.6601 -206206.5171 17572.8497 0.0000 0.0000 34358.4274 -149425.1576 300.0607 -183783.5851 -149335.5967 299.1061 -250.1143 -218.4114 558270.1205 14.4411 14.3943 PRESSURE: 3912200 257.066 9.52519 -10.9085 9.52527 -153.846 82.7445 -10.9095 82.7468 -251.905 GPRESSURE: 3912200 301.544 -42.5949 8.70278 36.1361 -128.648 156.237 -18.6858 -31.2571 -222.046 PRESSAVG: 3912200 -8.11929 -26.6031 1.04883 -26.6031 6.17455 -0.21215 1.04883 -0.212102 -7.83743 GPRESSAVG: 3912200 -7.72825 -27.6842 1.41316 -28.298 4.94569 -1.62462 2.83283 1.14587 -7.54099 TIMING: 3912200 CPU: 11767.4, 0.00297811/step Wall: 11767.4, 0.00297811/step, 0.899885 hours remaining, 209.265625 MB of memory in use. ENERGY: 3912200 731.8483 2069.0522 1948.0772 104.9493 -205940.1323 17539.4738 0.0000 0.0000 34155.3628 -149391.3687 298.2873 -183546.7315 -149287.8326 298.2052 -49.5618 -16.3834 556685.2247 -3.2607 -3.4412 LDB: ============= START OF LOAD BALANCING ============== 11770.9 LDB: ============== END OF LOAD BALANCING =============== 11770.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11770.9 LDB: ============= START OF LOAD BALANCING ============== 11771.2 LDB: Largest compute 4773 load 0.026043 is 22.0% of average load 0.118252 LDB: Average compute 0.001719 is 1.5% of average load 0.118252 LDB: TIME 11771.2 LOAD: AVG 0.118252 MAX 0.210712 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.688 MB LDB: TIME 11771.2 LOAD: AVG 0.118252 MAX 0.210712 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.891 MB LDB: TIME 11771.2 LOAD: AVG 0.118252 MAX 0.210712 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.891 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11771.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11771.2 PRESSURE: 3912400 -84.0717 -56.9969 105.436 -56.9981 -106.158 104.226 105.436 104.225 -95.9609 GPRESSURE: 3912400 -32.2967 -87.085 84.5427 -60.0371 -76.7867 39.0569 73.5123 98.1943 -71.16 PRESSAVG: 3912400 38.7088 -2.91664 -19.0013 -2.91664 -69.4583 37.9913 -19.0013 37.9914 26.5225 GPRESSAVG: 3912400 39.4682 -3.02526 -20.9684 -1.09624 -69.9169 38.07 -18.3649 39.2986 26.2211 TIMING: 3912400 CPU: 11768, 0.00301166/step Wall: 11768, 0.00301166/step, 0.909854 hours remaining, 209.902344 MB of memory in use. ENERGY: 3912400 761.1827 2095.4898 1968.7448 112.9210 -206076.2474 17575.7763 0.0000 0.0000 34137.3543 -149424.7786 298.1300 -183562.1328 -149327.8906 298.8601 -95.3968 -60.0811 556966.2090 -1.4090 -1.4092 PRESSURE: 3912600 16.5764 85.0295 18.689 85.029 34.2583 73.063 18.6887 73.063 165.741 GPRESSURE: 3912600 25.4087 7.36756 40.2672 80.4702 82.1095 38.1507 24.1736 32.6673 214.97 PRESSAVG: 3912600 30.5778 66.7719 25.4546 66.772 2.64675 48.6102 25.4546 48.6102 -36.0862 GPRESSAVG: 3912600 30.8325 66.8528 26.6622 66.4144 2.94167 47.6315 23.9093 48.3216 -36.8174 TIMING: 3912600 CPU: 11768.6, 0.00297204/step Wall: 11768.6, 0.00297204/step, 0.897721 hours remaining, 210.144531 MB of memory in use. ENERGY: 3912600 770.2031 2086.3251 1943.9665 102.1600 -206161.3709 17845.2020 0.0000 0.0000 34201.2244 -149212.2897 298.6878 -183413.5141 -149111.4183 298.5508 72.1920 107.4961 556358.5103 -0.9539 -1.0144 PRESSURE: 3912800 -121.833 -151.399 -67.7811 -151.4 -77.3484 51.8997 -67.7807 51.9008 -153.432 GPRESSURE: 3912800 -82.6346 -139.219 27.9455 -162.575 -47.8237 9.48693 -46.4598 168.743 -131.442 PRESSAVG: 3912800 7.95345 70.3542 -1.61331 70.3541 19.2965 -24.2702 -1.61334 -24.2703 -14.4144 GPRESSAVG: 3912800 6.73396 72.7194 -1.07439 68.8365 20.6334 -22.6345 -1.63608 -23.4422 -14.5451 TIMING: 3912800 CPU: 11769.2, 0.00296185/step Wall: 11769.2, 0.00296185/step, 0.89448 hours remaining, 210.281250 MB of memory in use. ENERGY: 3912800 751.6892 2056.0801 1965.7142 110.5096 -206240.4613 17722.0435 0.0000 0.0000 34300.0359 -149334.3887 299.5507 -183634.4246 -149233.7318 299.6145 -117.5376 -87.3000 557787.8495 4.2785 4.2741 PRESSURE: 3913000 -57.9069 132.289 -4.68407 132.29 250.19 22.9245 -4.68368 22.9238 -260.477 GPRESSURE: 3913000 19.4335 40.0431 -20.9381 182.064 204.709 48.1287 41.5414 22.1584 -204.05 PRESSAVG: 3913000 -9.3276 21.2679 -45.7876 21.2679 40.9889 21.6462 -45.7876 21.6462 -18.3393 GPRESSAVG: 3913000 -9.9814 20.5895 -46.8614 21.4644 40.6594 21.1706 -43.6386 21.8888 -17.3338 TIMING: 3913000 CPU: 11769.8, 0.0029694/step Wall: 11769.8, 0.0029694/step, 0.896594 hours remaining, 210.281250 MB of memory in use. ENERGY: 3913000 766.0424 2068.0634 1960.4681 118.5754 -206477.1355 17892.1993 0.0000 0.0000 34351.2696 -149320.5174 299.9982 -183671.7869 -149219.6077 298.9524 -22.7313 6.6977 557348.0000 4.4407 4.4481 PRESSURE: 3913200 11.7166 -13.351 75.229 -13.3505 49.8949 -200.462 75.2276 -200.462 192.767 GPRESSURE: 3913200 62.1302 -54.8274 -0.329603 -9.7579 75.7346 -275.109 49.2656 -189.272 213.256 PRESSAVG: 3913200 -36.9143 46.6031 -15.9928 46.6031 0.62635 19.8935 -15.9928 19.8934 60.6685 GPRESSAVG: 3913200 -35.2436 47.5477 -14.675 45.9678 -0.265563 18.3343 -19.2657 19.8376 59.9512 TIMING: 3913200 CPU: 11770.4, 0.00297716/step Wall: 11770.4, 0.00297716/step, 0.89877 hours remaining, 210.281250 MB of memory in use. ENERGY: 3913200 767.5237 2142.7293 1917.6807 118.6518 -206424.8215 17822.6986 0.0000 0.0000 34319.1652 -149336.3722 299.7178 -183655.5374 -149243.3695 299.6182 84.7928 117.0403 556000.7528 8.1268 8.1473 PRESSURE: 3913400 39.4971 1.8157 25.0008 1.81496 -17.8553 103.533 24.9997 103.532 108.482 GPRESSURE: 3913400 76.3055 -46.0859 -8.6085 61.6392 -10.8986 173.633 -9.24783 135.59 161.456 PRESSAVG: 3913400 -5.52857 54.8942 2.99144 54.8942 -8.76752 71.0738 2.99136 71.0738 3.27331 GPRESSAVG: 3913400 -6.31234 53.4772 4.16023 56.036 -9.34282 74.2096 2.93903 69.2608 5.1767 TIMING: 3913400 CPU: 11771, 0.003006/step Wall: 11771, 0.003006/step, 0.90731 hours remaining, 210.281250 MB of memory in use. ENERGY: 3913400 774.1033 2064.2776 1916.7782 119.5982 -206675.1925 18050.0524 0.0000 0.0000 34368.9115 -149381.4713 300.1523 -183750.3828 -149292.3283 298.7977 43.3747 75.6209 556580.5091 -3.6743 -3.4928 PRESSURE: 3913600 13.1146 -52.088 -26.7885 -52.0885 -132.254 30.8598 -26.7886 30.8612 -389.852 GPRESSURE: 3913600 12.5993 -47.4887 33.8882 -41.0292 -99.5317 -25.9732 -37.0879 104.103 -324.243 PRESSAVG: 3913600 2.28606 15.218 -34.3996 15.2181 -14.4604 -12.3457 -34.3996 -12.3457 16.3304 GPRESSAVG: 3913600 2.99458 16.622 -35.4798 14.5994 -13.4026 -12.8488 -32.9131 -11.2795 14.876 TIMING: 3913600 CPU: 11771.6, 0.00299376/step Wall: 11771.6, 0.00299376/step, 0.903451 hours remaining, 210.281250 MB of memory in use. ENERGY: 3913600 758.2037 2090.6578 1939.8716 104.8560 -205788.8608 17492.8252 0.0000 0.0000 34004.8945 -149397.5520 296.9732 -183402.4466 -149301.7577 299.3081 -169.6637 -137.0583 557208.0889 1.3853 1.4893 PRESSURE: 3913800 -104.693 88.5087 17.059 88.5081 -79.1753 163.358 17.0593 163.359 -254.313 GPRESSURE: 3913800 -117.835 86.6697 -14.8079 147.772 -34.285 83.1633 132.908 177.628 -197.634 PRESSAVG: 3913800 26.9009 89.5941 7.65796 89.5942 -1.40833 27.7217 7.65792 27.7217 28.6322 GPRESSAVG: 3913800 25.3939 87.7303 7.53162 90.1372 -0.876657 26.9585 7.63433 31.025 29.7558 TIMING: 3913800 CPU: 11772.2, 0.00299954/step Wall: 11772.2, 0.00299954/step, 0.905026 hours remaining, 210.281250 MB of memory in use. ENERGY: 3913800 759.0227 2124.1197 1910.3249 108.7563 -206475.4227 17769.1475 0.0000 0.0000 34335.4851 -149468.5665 299.8603 -183804.0517 -149375.3866 299.0056 -146.0604 -116.5846 557679.1593 18.0416 18.0910 PRESSURE: 3914000 -46.8252 18.3296 52.4286 18.3284 -315.106 -106.969 52.4282 -106.968 -163.952 GPRESSURE: 3914000 -4.65985 1.72077 83.1955 23.8588 -270.065 10.5991 38.7701 -15.5784 -146.223 PRESSAVG: 3914000 -26.4198 21.8151 52.1199 21.815 -1.3843 33.1781 52.1199 33.1781 20.7697 GPRESSAVG: 3914000 -25.2106 22.7581 53.2429 22.3653 -0.82754 33.2103 49.8387 31.7425 18.436 TIMING: 3914000 CPU: 11772.8, 0.00299776/step Wall: 11772.8, 0.00299776/step, 0.904325 hours remaining, 210.281250 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: 3914000 731.4498 2130.1471 1935.4656 114.1384 -205871.3034 17588.4447 0.0000 0.0000 33922.6975 -149448.9602 296.2554 -183371.6577 -149344.7444 298.7751 -175.2945 -140.3161 559452.5598 -2.3448 -2.5341 PRESSURE: 3914200 -339.342 49.0113 47.4789 49.0107 -138.491 42.819 47.4789 42.8198 -119.515 GPRESSURE: 3914200 -316.75 81.8956 55.2393 66.3489 -119.308 142.447 70.7187 -54.9538 -70.5295 PRESSAVG: 3914200 -11.2604 -3.73962 9.57632 -3.7396 -20.4427 36.8472 9.57634 36.8473 18.6891 GPRESSAVG: 3914200 -11.5733 -2.64624 8.39622 -5.14181 -20.6639 38.5076 12.2395 34.8368 19.0861 TIMING: 3914200 CPU: 11773.4, 0.00299849/step Wall: 11773.4, 0.00299849/step, 0.904379 hours remaining, 210.281250 MB of memory in use. ENERGY: 3914200 721.4245 2109.7539 1955.4670 102.9985 -206194.2925 17715.8297 0.0000 0.0000 34076.5151 -149512.3038 297.5987 -183588.8189 -149410.2613 298.6992 -199.1159 -168.8625 559469.5910 -4.3380 -4.3837 PRESSURE: 3914400 -259.832 -84.7338 -1.07733 -84.7329 134.14 -23.8041 -1.07679 -23.8042 -378.742 GPRESSURE: 3914400 -195.666 -116.079 -26.0741 -56.8084 159.246 -7.9502 -5.28608 -22.5599 -368.086 PRESSAVG: 3914400 -71.0975 -5.57151 -4.08892 -5.57143 38.7266 39.9055 -4.08893 39.9055 44.4915 GPRESSAVG: 3914400 -69.8409 -6.65281 -5.86686 -5.6969 37.8499 36.8563 -2.9653 40.656 44.7443 TIMING: 3914400 CPU: 11774, 0.00298431/step Wall: 11774, 0.00298431/step, 0.899934 hours remaining, 210.281250 MB of memory in use. ENERGY: 3914400 762.4173 2160.0868 1960.1278 117.6767 -206112.3959 17553.9784 0.0000 0.0000 34255.2642 -149302.8447 299.1597 -183558.1089 -149207.4341 298.6702 -168.1447 -134.8354 557119.2530 4.0402 4.2511 PRESSURE: 3914600 -37.1789 62.4097 -168.927 62.4098 -155.606 -79.0352 -168.928 -79.0371 204.255 GPRESSURE: 3914600 -4.96047 47.1433 -199.774 -40.4282 -99.1977 -66.3163 -141.428 -102.857 215.82 PRESSAVG: 3914600 12.976 -2.16263 16.157 -2.16255 46.2105 -17.7886 16.1571 -17.7886 -30.7159 GPRESSAVG: 3914600 11.8413 -4.06265 17.9602 -1.06219 46.6632 -16.8645 13.4836 -18.1313 -30.3004 TIMING: 3914600 CPU: 11774.6, 0.00295864/step Wall: 11774.6, 0.00295864/step, 0.89203 hours remaining, 210.281250 MB of memory in use. ENERGY: 3914600 781.3905 2078.6160 1947.5693 111.6074 -206318.1208 17781.2173 0.0000 0.0000 34318.6060 -149299.1142 299.7129 -183617.7202 -149203.4210 299.6594 3.8236 37.2205 557299.8924 9.4902 9.4013 PRESSURE: 3914800 355.813 -35.6533 149.507 -35.653 69.7284 -102.649 149.506 -102.649 193.149 GPRESSURE: 3914800 336.821 -110.139 160.497 2.45698 119.68 -18.8828 187.058 -123.332 262.865 PRESSAVG: 3914800 -16.5565 30.678 47.0636 30.678 46.9125 -58.3653 47.0635 -58.3653 -29.3952 GPRESSAVG: 3914800 -16.3771 31.5536 47.2641 29.4467 45.7493 -57.7984 48.2318 -58.402 -28.8841 TIMING: 3914800 CPU: 11775.2, 0.0030038/step Wall: 11775.2, 0.0030038/step, 0.905479 hours remaining, 210.281250 MB of memory in use. ENERGY: 3914800 731.7953 2114.0722 1926.7640 120.2660 -206120.5267 17811.3682 0.0000 0.0000 34029.8135 -149386.4475 297.1908 -183416.2610 -149287.2544 299.3151 206.2303 239.7888 555274.8539 0.3203 0.1627 PRESSURE: 3915000 -55.8847 -155.809 -116.479 -155.809 -320.808 15.6945 -116.478 15.6957 -16.0614 GPRESSURE: 3915000 17.1161 -102.936 -135.638 -125.596 -318.314 31.9724 -102.49 -16.0908 14.2775 PRESSAVG: 3915000 35.1539 7.44822 -7.58368 7.44821 2.29434 11.7957 -7.58377 11.7956 24.6104 GPRESSAVG: 3915000 34.3253 9.2046 -5.12589 7.38009 2.31024 11.0217 -7.94604 12.9998 25.7194 TIMING: 3915000 CPU: 11775.8, 0.00303036/step Wall: 11775.8, 0.00303036/step, 0.913317 hours remaining, 210.281250 MB of memory in use. ENERGY: 3915000 786.2113 2087.9063 1931.8992 104.6735 -206076.3356 17627.0611 0.0000 0.0000 34367.7112 -149170.8730 300.1418 -183538.5842 -149074.7277 300.0440 -130.9181 -95.6402 556530.9185 20.6862 20.7850 PRESSURE: 3915200 61.9017 -77.9815 133.253 -77.9816 -214.182 13.2792 133.254 13.2795 -241.024 GPRESSURE: 3915200 111.125 -178.829 25.0352 -58.0447 -189.991 6.37113 183.277 13.1148 -223.834 PRESSAVG: 3915200 52.6487 -21.707 -36.5168 -21.707 -90.5405 -44.7554 -36.5168 -44.7555 28.2042 GPRESSAVG: 3915200 52.8759 -23.4801 -38.9601 -19.4945 -90.5316 -44.981 -34.8224 -46.0005 28.083 TIMING: 3915200 CPU: 11776.4, 0.00299725/step Wall: 11776.4, 0.00299725/step, 0.903171 hours remaining, 210.281250 MB of memory in use. ENERGY: 3915200 744.1106 2103.2846 1967.7067 105.4301 -206046.9133 17548.3974 0.0000 0.0000 34320.6381 -149257.3458 299.7307 -183577.9839 -149156.7747 299.2917 -131.1011 -100.9000 556390.0276 -3.2292 -3.1909 PRESSURE: 3915400 42.05 52.1843 -2.81151 52.1845 -20.7148 1.17173 -2.81178 1.17233 -190.591 GPRESSURE: 3915400 87.9621 97.7039 -62.4137 25.5931 -14.1673 54.4804 45.6835 9.16032 -144.73 PRESSAVG: 3915400 47.5367 28.5246 -16.885 28.5247 -1.92178 38.9952 -16.885 38.9953 -50.051 GPRESSAVG: 3915400 48.0578 29.4584 -15.3933 27.3149 -0.995407 41.2996 -20.4707 37.8457 -50.9091 TIMING: 3915400 CPU: 11777, 0.00298234/step Wall: 11777, 0.00298234/step, 0.898514 hours remaining, 210.281250 MB of memory in use. ENERGY: 3915400 749.7534 2146.1060 1950.0516 105.5398 -206454.7179 17686.2338 0.0000 0.0000 34390.2785 -149426.7549 300.3389 -183817.0334 -149333.2378 299.0397 -56.4185 -23.6450 555770.0018 -1.4787 -1.2822 PRESSURE: 3915600 -317.954 28.666 111.168 28.6666 -299.55 36.4909 111.167 36.4912 -75.9127 GPRESSURE: 3915600 -301.142 41.455 165.163 -13.5916 -244.874 13.2064 55.4897 27.4652 -37.1416 PRESSAVG: 3915600 -16.0688 -2.28728 12.6469 -2.28734 51.8367 -34.4192 12.6468 -34.4192 -59.8282 GPRESSAVG: 3915600 -17.356 -3.27239 13.419 -3.5544 52.1512 -33.8674 12.1304 -35.8468 -59.2352 TIMING: 3915600 CPU: 11777.6, 0.00299223/step Wall: 11777.6, 0.00299223/step, 0.901327 hours remaining, 210.281250 MB of memory in use. ENERGY: 3915600 778.0138 2172.7242 1959.4723 112.7468 -206189.9545 17562.1652 0.0000 0.0000 34088.6967 -149516.1355 297.7051 -183604.8322 -149422.6582 298.9298 -231.1389 -194.3859 556760.7932 -8.0201 -8.1467 PRESSURE: 3915800 -139.632 26.4382 -4.4222 26.4388 -25.0188 -96.1732 -4.42148 -96.1733 132.8 GPRESSURE: 3915800 -84.5048 92.6375 -47.5099 -41.0471 -35.4018 -80.2399 -31.8406 -155.891 189.997 PRESSAVG: 3915800 -9.10113 -24.7316 -11.0767 -24.7316 -28.1477 10.4974 -11.0768 10.4973 39.8 GPRESSAVG: 3915800 -7.81951 -25.3016 -13.2126 -22.8439 -29.048 9.5209 -8.91482 11.0415 39.2928 TIMING: 3915800 CPU: 11778.1, 0.0029829/step Wall: 11778.1, 0.0029829/step, 0.89835 hours remaining, 210.281250 MB of memory in use. ENERGY: 3915800 778.4989 2134.0674 1937.4672 124.4143 -206044.8295 17722.0239 0.0000 0.0000 33823.7198 -149524.6380 295.3910 -183348.3579 -149434.7089 298.3784 -10.6169 23.3635 557512.6341 0.8504 0.8084 PRESSURE: 3916000 -131.638 110.473 -68.4906 110.474 29.7408 -77.989 -68.4917 -77.9885 133.175 GPRESSURE: 3916000 -35.0216 87.7803 -5.65019 100.077 89.556 -111.49 -124.168 -96.5908 74.4613 PRESSAVG: 3916000 4.34384 5.36395 10.8075 5.36404 19.1751 -19.6534 10.8075 -19.6534 -20.9506 GPRESSAVG: 3916000 4.37042 4.44196 10.6399 4.99025 18.9666 -19.5741 11.2186 -17.3636 -21.039 TIMING: 3916000 CPU: 11778.7, 0.00297383/step Wall: 11778.7, 0.00297383/step, 0.895452 hours remaining, 210.281250 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: 3916000 738.0208 2103.7223 1909.4651 96.0780 -206211.1934 17774.1599 0.0000 0.0000 34101.1320 -149488.6153 297.8137 -183589.7473 -149389.7022 298.4786 10.4257 42.9986 555227.6163 0.8561 0.7660 PRESSURE: 3916200 -270.34 -265.262 33.042 -265.262 -38.7834 0.919305 33.0412 0.918579 17.6847 GPRESSURE: 3916200 -208.881 -264.011 24.5381 -193.461 -65.2712 -82.6906 56.1495 46.1143 75.9975 PRESSAVG: 3916200 -1.32892 -24.1365 -32.0601 -24.1364 28.2351 16.8623 -32.0601 16.8623 -27.7042 GPRESSAVG: 3916200 -0.580056 -22.1705 -31.4832 -22.6309 28.305 16.6767 -32.8201 16.6057 -28.4677 TIMING: 3916200 CPU: 11779.3, 0.00299038/step Wall: 11779.3, 0.00299038/step, 0.900272 hours remaining, 210.281250 MB of memory in use. ENERGY: 3916200 725.6884 2081.7232 1932.5096 111.7338 -206187.3463 17501.6205 0.0000 0.0000 34093.7718 -149740.2990 297.7494 -183834.0707 -149646.6120 298.5543 -97.1464 -66.0516 556306.2377 -0.2660 -0.2476 LDB: ============= START OF LOAD BALANCING ============== 11782.9 LDB: ============== END OF LOAD BALANCING =============== 11782.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11782.9 LDB: ============= START OF LOAD BALANCING ============== 11783.2 LDB: Largest compute 4802 load 0.026807 is 22.7% of average load 0.118305 LDB: Average compute 0.001727 is 1.5% of average load 0.118305 LDB: TIME 11783.2 LOAD: AVG 0.118305 MAX 0.210536 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.633 MB LDB: TIME 11783.2 LOAD: AVG 0.118305 MAX 0.210536 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.633 MB LDB: TIME 11783.2 LOAD: AVG 0.118305 MAX 0.210536 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.633 MB LDB: ============== END OF LOAD BALANCING =============== 11783.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11783.2 PRESSURE: 3916400 -182.478 -90.1197 -73.5749 -90.1193 -170.259 90.365 -73.5758 90.3641 -258.955 GPRESSURE: 3916400 -242.174 -80.4564 -41.7982 -41.3056 -110.531 128.95 -89.0539 -25.701 -174.166 PRESSAVG: 3916400 -67.5479 -12.8538 -4.75172 -12.8538 52.7152 -32.5747 -4.7517 -32.5747 56.8012 GPRESSAVG: 3916400 -68.0889 -13.23 -5.05473 -16.0006 52.4677 -31.6268 -4.67247 -32.7641 57.2112 TIMING: 3916400 CPU: 11779.9, 0.0030389/step Wall: 11779.9, 0.0030389/step, 0.914708 hours remaining, 208.996094 MB of memory in use. ENERGY: 3916400 757.7505 2076.5068 1953.5435 115.6748 -206538.1155 17666.0939 0.0000 0.0000 34137.9924 -149830.5536 298.1356 -183968.5460 -149729.7395 298.5371 -203.8975 -175.6235 557612.8467 13.9895 13.8633 PRESSURE: 3916600 187.311 38.3988 6.0788 38.3979 -92.4631 -107.372 6.07921 -107.371 -145.651 GPRESSURE: 3916600 161.863 -17.2107 -33.5735 71.3112 -35.4992 -156.193 -49.618 -157.029 -84.3353 PRESSAVG: 3916600 0.426921 1.24035 -77.3775 1.24036 24.7472 61.4985 -77.3776 61.4986 -43.4414 GPRESSAVG: 3916600 -0.407929 -0.222819 -76.9272 1.43607 24.9502 59.6547 -77.258 63.5846 -42.814 TIMING: 3916600 CPU: 11780.5, 0.00297965/step Wall: 11780.5, 0.00297965/step, 0.896708 hours remaining, 208.996094 MB of memory in use. ENERGY: 3916600 725.0711 2107.4509 1935.5683 108.7427 -206501.1005 17878.4843 0.0000 0.0000 34041.2735 -149704.5097 297.2909 -183745.7832 -149607.6322 297.9521 -16.9345 14.0095 557853.7118 -6.0891 -6.0906 PRESSURE: 3916800 -48.0741 8.09643 -95.1023 8.09669 -203.728 272.937 -95.1011 272.937 -414.833 GPRESSURE: 3916800 -0.162379 -7.46235 -184.071 -4.97517 -217.37 157.529 -21.8461 309.616 -336.639 PRESSAVG: 3916800 115.161 17.592 7.21561 17.5919 -26.42 39.545 7.21553 39.5451 -41.3721 GPRESSAVG: 3916800 114.286 19.0832 7.00139 19.4975 -25.3679 41.6238 7.04267 36.8584 -41.5203 TIMING: 3916800 CPU: 11781.1, 0.00297732/step Wall: 11781.1, 0.00297732/step, 0.895842 hours remaining, 208.996094 MB of memory in use. ENERGY: 3916800 730.4352 2078.4649 1937.5887 117.0996 -206116.5071 17612.6741 0.0000 0.0000 34085.9763 -149554.2682 297.6813 -183640.2445 -149458.3637 297.7700 -222.2120 -184.7238 558606.3181 15.7896 15.7992 PRESSURE: 3917000 274.55 118.917 -19.3038 118.917 151.385 139.73 -19.3048 139.729 -214.584 GPRESSURE: 3917000 280.08 102.634 -116.606 140.67 206.774 193.446 55.8146 133.927 -165.016 PRESSAVG: 3917000 68.5828 56.0913 -15.2734 56.0913 -18.8902 6.28106 -15.2735 6.281 -55.6899 GPRESSAVG: 3917000 69.0829 55.8314 -15.7052 56.3297 -20.8043 5.97558 -15.787 7.39981 -54.6015 TIMING: 3917000 CPU: 11781.7, 0.00294004/step Wall: 11781.7, 0.00294004/step, 0.884461 hours remaining, 208.996094 MB of memory in use. ENERGY: 3917000 760.9253 2061.3813 1923.3351 105.7794 -206585.9447 18016.9644 0.0000 0.0000 34001.6036 -149715.9556 296.9445 -183717.5592 -149627.3175 298.6860 70.4505 107.2791 556881.0917 -1.9991 -2.1076 PRESSURE: 3917200 -174.487 30.4509 79.2461 30.4512 -241.91 231.991 79.2448 231.99 -124.848 GPRESSURE: 3917200 -154.524 40.4504 -62.4589 39.6266 -205.025 248.451 162.592 172.971 -62.0074 PRESSAVG: 3917200 72.7207 -42.4054 11.2644 -42.4054 24.1601 10.6507 11.2644 10.6506 -111.592 GPRESSAVG: 3917200 73.508 -43.0554 9.79059 -43.7771 24.3317 9.10086 12.0106 11.0367 -112.41 TIMING: 3917200 CPU: 11782.3, 0.00299177/step Wall: 11782.3, 0.00299176/step, 0.899856 hours remaining, 208.996094 MB of memory in use. ENERGY: 3917200 757.0426 2139.4323 1899.0195 107.9958 -206283.4682 17515.9185 0.0000 0.0000 34284.9739 -149579.0856 299.4192 -183864.0595 -149485.2641 298.7052 -180.4150 -140.5186 557558.2263 -4.9036 -4.8567 PRESSURE: 3917400 39.9246 110.724 -40.304 110.725 103.464 31.6 -40.3052 31.5986 275.426 GPRESSURE: 3917400 63.0485 125.516 -57.6899 104.003 168.398 39.4988 -37.1607 99.6916 285.525 PRESSAVG: 3917400 -30.383 48.1309 -6.11365 48.1309 7.46984 27.2639 -6.11365 27.2637 22.3973 GPRESSAVG: 3917400 -30.3432 49.8836 -5.97416 48.5164 8.64701 28.5782 -6.0835 26.926 21.3941 TIMING: 3917400 CPU: 11782.9, 0.00301987/step Wall: 11782.9, 0.00301987/step, 0.908142 hours remaining, 208.996094 MB of memory in use. ENERGY: 3917400 771.7372 2108.7735 1942.8405 105.0906 -206635.7325 17992.1050 0.0000 0.0000 34130.5837 -149584.6021 298.0709 -183715.1858 -149490.4262 298.3244 139.6048 172.3241 556200.6212 -0.1720 -0.1007 PRESSURE: 3917600 -103.804 -73.1339 -200.913 -73.1332 -132.709 227.074 -200.912 227.076 -186.099 GPRESSURE: 3917600 -72.0937 -57.7088 -227.272 -117.786 -101.622 268.498 -131.132 189.868 -149.141 PRESSAVG: 3917600 25.5492 34.9904 -9.49692 34.9904 -24.2726 11.335 -9.49703 11.335 3.07715 GPRESSAVG: 3917600 23.9899 32.9028 -8.80444 35.7126 -23.1808 13.3391 -10.5174 12.1595 3.78421 TIMING: 3917600 CPU: 11783.5, 0.00301677/step Wall: 11783.5, 0.00301677/step, 0.907041 hours remaining, 208.996094 MB of memory in use. ENERGY: 3917600 782.0513 2097.8325 1926.7264 114.7082 -206247.0312 17738.7185 0.0000 0.0000 34207.7892 -149379.2050 298.7451 -183586.9942 -149282.6783 298.5216 -140.8708 -107.6188 557354.1022 1.4512 1.5311 PRESSURE: 3917800 -94.0018 59.8905 -33.902 59.8907 -61.5108 56.9928 -33.903 56.9934 -196.947 GPRESSURE: 3917800 -68.9386 52.3204 -80.6821 -35.9878 5.35481 13.2993 -20.8621 45.4853 -177.751 PRESSAVG: 3917800 -22.1763 -27.5004 49.0366 -27.5005 32.514 50.6245 49.0366 50.6245 -50.1593 GPRESSAVG: 3917800 -20.5782 -21.6969 48.2002 -30.3964 30.2081 48.668 49.6863 51.1336 -49.8353 TIMING: 3917800 CPU: 11784.1, 0.00299909/step Wall: 11784.1, 0.00299909/step, 0.901561 hours remaining, 208.996094 MB of memory in use. ENERGY: 3917800 772.0111 2140.3702 1937.1955 115.3473 -206192.1226 17638.9073 0.0000 0.0000 34424.9828 -149163.3083 300.6419 -183588.2911 -149066.7702 299.2562 -117.4867 -80.4448 556592.1173 -13.2738 -13.4018 PRESSURE: 3918000 278.435 -68.0645 -208.754 -68.0645 158.145 -7.90525 -208.753 -7.90629 378.919 GPRESSURE: 3918000 320.827 -78.1763 -229.878 -54.5872 178.263 -44.6233 -132.535 9.67151 426.873 PRESSAVG: 3918000 -29.5639 0.354646 -43.055 0.354631 26.6768 37.3099 -43.0551 37.3099 0.966689 GPRESSAVG: 3918000 -30.1518 -3.33824 -42.2557 2.73575 27.8189 35.7597 -43.4652 36.7681 0.432319 TIMING: 3918000 CPU: 11784.7, 0.0029817/step Wall: 11784.7, 0.0029817/step, 0.896167 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: 3918000 726.3308 2119.5223 1937.9089 108.9524 -206489.0133 18105.7232 0.0000 0.0000 34225.1036 -149265.4722 298.8963 -183490.5757 -149171.2495 299.8636 271.8330 308.6541 555452.0212 -0.6401 -0.6336 PRESSURE: 3918200 -218.096 -24.9555 -133.67 -24.957 178.32 -249.269 -133.667 -249.27 -37.6165 GPRESSURE: 3918200 -180.336 -26.2059 -95.1349 -152.977 197.638 -101.913 -108.048 -345.987 4.44986 PRESSAVG: 3918200 -12.2333 22.8527 -92.4516 22.8526 62.1184 -0.92164 -92.4517 -0.921551 -60.9458 GPRESSAVG: 3918200 -12.6854 23.1524 -92.3632 22.0799 62.2994 1.42092 -92.9673 -1.59712 -60.4173 TIMING: 3918200 CPU: 11785.3, 0.00299457/step Wall: 11785.3, 0.00299457/step, 0.899867 hours remaining, 209.199219 MB of memory in use. ENERGY: 3918200 712.4120 2160.1666 1934.1989 105.3958 -206044.7399 17704.6943 0.0000 0.0000 34329.0829 -149098.7894 299.8044 -183427.8723 -148999.4739 299.9494 -25.7976 7.2504 557701.0404 -3.6869 -3.6011 PRESSURE: 3918400 2.36126 8.86287 26.2343 8.86355 -96.6114 -147.018 26.234 -147.019 100.432 GPRESSURE: 3918400 -14.894 -24.1021 84.7774 -49.0886 23.6596 -159.743 8.11776 -150.79 90.5737 PRESSAVG: 3918400 21.9292 -16.4284 -53.1381 -16.4284 -14.1688 -27.0833 -53.138 -27.0832 1.02803 GPRESSAVG: 3918400 22.1902 -17.0484 -51.7767 -17.1929 -14.0314 -26.547 -53.4912 -26.7491 1.06402 TIMING: 3918400 CPU: 11785.9, 0.00302189/step Wall: 11785.9, 0.00302189/step, 0.90791 hours remaining, 209.199219 MB of memory in use. ENERGY: 3918400 741.4373 2104.2471 1919.0426 133.7207 -205805.6504 17565.7182 0.0000 0.0000 34260.3988 -149081.0858 299.2046 -183341.4845 -148981.9542 299.5966 2.0607 33.1131 557508.5402 2.9295 3.0743 PRESSURE: 3918600 32.9032 -51.6441 -13.6628 -51.6439 -232.214 -72.1112 -13.661 -72.1112 40.5465 GPRESSURE: 3918600 110.78 -91.653 18.1587 -13.4447 -225.559 -126.306 -39.9068 -66.0156 47.2231 PRESSAVG: 3918600 -80.1537 39.2598 3.88387 39.2598 -35.103 -44.2966 3.88383 -44.2965 83.908 GPRESSAVG: 3918600 -80.9573 40.1431 2.97678 40.6153 -34.5343 -45.3885 5.24148 -43.9639 84.1853 TIMING: 3918600 CPU: 11786.5, 0.00300822/step Wall: 11786.5, 0.00300822/step, 0.903636 hours remaining, 209.199219 MB of memory in use. ENERGY: 3918600 701.9913 2112.1447 1930.0786 99.2135 -205894.1270 17546.9422 0.0000 0.0000 34475.5016 -149028.2551 301.0831 -183503.7566 -148929.7668 299.5830 -52.9214 -22.5186 556982.3387 -10.4495 -10.4354 PRESSURE: 3918800 -281.144 129.834 -3.68945 129.833 -121.04 -18.9492 -3.68911 -18.9494 63.557 GPRESSURE: 3918800 -251.543 98.7579 -26.3109 231.113 -85.1687 -62.2779 17.5415 20.2184 90.5338 PRESSAVG: 3918800 14.3908 45.2051 29.9059 45.2051 21.6612 -6.2442 29.9059 -6.24424 7.82258 GPRESSAVG: 3918800 15.4464 44.5755 29.8051 46.8044 19.8519 -5.77296 30.2973 -6.43433 7.85017 TIMING: 3918800 CPU: 11787.1, 0.00302749/step Wall: 11787.1, 0.00302749/step, 0.909255 hours remaining, 209.199219 MB of memory in use. ENERGY: 3918800 777.7994 2075.1042 1946.2068 119.1172 -205978.5767 17713.3599 0.0000 0.0000 34278.8480 -149068.1413 299.3657 -183346.9893 -148969.5956 299.7399 -112.8759 -82.0595 557522.4450 14.6249 14.3828 PRESSURE: 3919000 166.609 78.1493 -93.9119 78.1486 416.288 98.1298 -93.9117 98.1276 293.517 GPRESSURE: 3919000 210.662 116.919 -10.9617 -0.589283 432.151 134.444 -82.9781 120.547 323.715 PRESSAVG: 3919000 1.45142 11.6155 16.533 11.6155 57.8371 -10.1321 16.5331 -10.1321 -48.7879 GPRESSAVG: 3919000 1.62297 11.1152 16.9574 10.0923 57.6951 -8.79853 13.5982 -9.58839 -49.1515 TIMING: 3919000 CPU: 11787.7, 0.00297932/step Wall: 11787.7, 0.00297932/step, 0.894622 hours remaining, 209.199219 MB of memory in use. ENERGY: 3919000 743.6860 2083.1855 1946.8205 108.4325 -206574.6319 18304.0066 0.0000 0.0000 34416.0456 -148972.4553 300.5639 -183388.5009 -148877.5338 299.4292 292.1380 322.1759 557800.8381 3.5002 3.3889 PRESSURE: 3919200 -149.781 -32.4669 -86.7555 -32.4661 153.266 52.7795 -86.755 52.7796 -265.153 GPRESSURE: 3919200 -103.406 2.01268 -88.9902 -4.71374 161.917 94.3119 -56.8197 14.7717 -221.271 PRESSAVG: 3919200 -11.0903 -9.76449 35.7785 -9.76438 30.3579 -15.1124 35.7785 -15.1123 0.733497 GPRESSAVG: 3919200 -11.6006 -8.807 35.8999 -11.2671 32.4015 -17.6883 38.3367 -15.2571 -0.872575 TIMING: 3919200 CPU: 11788.3, 0.00299463/step Wall: 11788.3, 0.00299463/step, 0.899055 hours remaining, 209.199219 MB of memory in use. ENERGY: 3919200 735.0373 2102.6887 1933.7990 104.9040 -206208.1615 17888.5468 0.0000 0.0000 34423.0060 -149020.1797 300.6247 -183443.1857 -148919.7173 299.3319 -87.2229 -54.2533 559519.3553 6.6670 6.6428 PRESSURE: 3919400 5.50457 181.651 -46.7101 181.651 -160.997 46.0371 -46.7113 46.0394 -193.474 GPRESSURE: 3919400 29.2107 213.427 -16.6035 174.73 -138.856 -6.06069 -99.2253 32.9878 -143.07 PRESSAVG: 3919400 35.1651 24.6044 -31.4477 24.6045 -45.3192 22.494 -31.4476 22.4941 -44.7258 GPRESSAVG: 3919400 33.4773 23.7108 -30.8349 25.2488 -45.8052 23.134 -31.3296 21.8062 -42.7324 TIMING: 3919400 CPU: 11788.9, 0.00297142/step Wall: 11788.9, 0.00297142/step, 0.89192 hours remaining, 209.199219 MB of memory in use. ENERGY: 3919400 741.4587 2120.5750 1931.3614 128.9031 -206065.4668 17771.4117 0.0000 0.0000 34195.9815 -149175.7755 298.6420 -183371.7570 -149081.8089 299.2732 -116.3220 -84.2383 560298.4317 -18.2933 -18.3534 PRESSURE: 3919600 24.0312 -103.14 119.333 -103.14 51.9064 -14.9265 119.335 -14.9293 72.1472 GPRESSURE: 3919600 51.8636 -131.445 88.4986 31.2148 128.837 13.7357 107.092 16.78 68.6177 PRESSAVG: 3919600 16.8626 46.0236 18.289 46.0235 21.3349 -20.1757 18.2891 -20.1758 -77.0313 GPRESSAVG: 3919600 17.6142 47.7063 17.52 46.1776 20.8266 -19.7822 16.7164 -20.0814 -77.2458 TIMING: 3919600 CPU: 11789.5, 0.00296572/step Wall: 11789.5, 0.00296572/step, 0.890045 hours remaining, 209.199219 MB of memory in use. ENERGY: 3919600 778.8104 2101.5123 1950.7247 114.4250 -206077.8853 17911.2460 0.0000 0.0000 34236.6449 -148984.5221 298.9971 -183221.1670 -148897.5930 300.1237 49.3616 83.1062 558133.2096 -12.9446 -12.9350 PRESSURE: 3919800 65.8172 -72.0061 104.079 -72.0064 276.472 -25.8504 104.078 -25.8511 33.4936 GPRESSURE: 3919800 175.888 -108.901 103.271 -44.554 251.584 -61.9704 57.2474 -7.817 54.3742 PRESSAVG: 3919800 -34.9931 -62.1236 -28.7009 -62.1236 71.6232 45.9726 -28.7008 45.9725 -26.6203 GPRESSAVG: 3919800 -33.8621 -64.239 -29.1244 -61.3981 70.8171 45.5581 -26.6874 46.2743 -26.692 TIMING: 3919800 CPU: 11790.1, 0.00297339/step Wall: 11790.1, 0.00297339/step, 0.892183 hours remaining, 209.199219 MB of memory in use. ENERGY: 3919800 747.1994 2046.0482 1949.0465 116.0754 -206320.4674 18031.6564 0.0000 0.0000 34539.9588 -148890.4826 301.6461 -183430.4414 -148789.4280 299.8949 125.2609 160.6155 558274.7836 3.3366 3.4210 PRESSURE: 3920000 -123.579 111.794 58.8628 111.793 -163.198 19.6997 58.8634 19.7002 5.51365 GPRESSURE: 3920000 -104.031 102.548 0.436893 83.366 -125.124 -8.10035 90.4887 71.8397 50.7966 PRESSAVG: 3920000 -58.9804 -26.8352 8.06479 -26.8351 60.6222 -6.66861 8.06484 -6.66864 1.62712 GPRESSAVG: 3920000 -58.5618 -23.7625 7.99024 -28.7174 60.8669 -7.28538 9.73229 -7.39482 1.28832 TIMING: 3920000 CPU: 11790.7, 0.0029888/step Wall: 11790.7, 0.0029888/step, 0.89664 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: 3920000 744.8461 2111.8852 1928.8568 103.8316 -205514.7285 17498.8037 0.0000 0.0000 34322.6605 -148803.8446 299.7483 -183126.5051 -148716.4580 300.2187 -93.7543 -59.4528 558727.1215 1.0896 1.1978 PRESSURE: 3920200 -217.548 108.674 64.1306 108.674 -180.898 87.252 64.1304 87.253 -258.705 GPRESSURE: 3920200 -211.06 92.7802 85.347 111.631 -142.924 80.3206 -26.261 72.0425 -202.94 PRESSAVG: 3920200 -2.3627 -42.0418 19.5313 -42.0417 33.5869 14.9978 19.5313 14.9977 15.0832 GPRESSAVG: 3920200 -4.19652 -42.9773 19.6969 -40.1918 35.185 16.1706 17.3562 14.6912 15.0341 TIMING: 3920200 CPU: 11791.3, 0.00296908/step Wall: 11791.3, 0.00296908/step, 0.890558 hours remaining, 209.199219 MB of memory in use. ENERGY: 3920200 784.0090 2120.5942 1920.0031 113.8791 -205710.4086 17452.2733 0.0000 0.0000 34422.8922 -148896.7577 300.6237 -183319.6499 -148803.3066 300.5015 -219.0503 -185.6415 558280.5845 15.4358 15.3409 LDB: ============= START OF LOAD BALANCING ============== 11794.8 LDB: ============== END OF LOAD BALANCING =============== 11794.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11794.8 LDB: ============= START OF LOAD BALANCING ============== 11795.1 LDB: Largest compute 4773 load 0.027358 is 23.1% of average load 0.118306 LDB: Average compute 0.001722 is 1.5% of average load 0.118306 LDB: TIME 11795.1 LOAD: AVG 0.118306 MAX 0.212566 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.539 MB LDB: TIME 11795.1 LOAD: AVG 0.118306 MAX 0.212566 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.781 MB LDB: TIME 11795.1 LOAD: AVG 0.118306 MAX 0.212566 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.781 MB LDB: ============== END OF LOAD BALANCING =============== 11795.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11795.1 PRESSURE: 3920400 -11.9304 -98.4301 3.32932 -98.4292 -217.575 -18.12 3.32965 -18.1178 -268.448 GPRESSURE: 3920400 -4.4279 -124.913 69.6185 -114.051 -182.975 -98.4734 -7.58668 -7.66149 -217.023 PRESSAVG: 3920400 16.4669 33.6305 -24.8573 33.6305 -7.16785 28.1746 -24.8573 28.1745 -52.3388 GPRESSAVG: 3920400 17.5597 30.8687 -26.1757 34.5064 -8.89596 28.4448 -23.6198 28.1319 -51.451 TIMING: 3920400 CPU: 11791.9, 0.0030621/step Wall: 11791.9, 0.0030621/step, 0.918291 hours remaining, 209.199219 MB of memory in use. ENERGY: 3920400 731.1954 2101.5356 1937.2192 122.0012 -206177.4255 17759.1328 0.0000 0.0000 34532.6414 -148993.7001 301.5821 -183526.3415 -148895.0651 300.7728 -165.9846 -134.8084 559135.5931 -14.3466 -14.2624 PRESSURE: 3920600 15.2471 139.58 -78.8135 139.581 -74.9328 -186.529 -78.8116 -186.529 -149.169 GPRESSURE: 3920600 81.3281 194.285 -186.82 64.7524 -73.2107 -107.497 12.195 -232.882 -104.685 PRESSAVG: 3920600 30.9091 34.7583 -16.4744 34.7583 -42.5487 2.77659 -16.4743 2.77662 3.10642 GPRESSAVG: 3920600 30.324 35.3381 -14.8913 32.1616 -41.2793 2.01222 -17.8959 5.01048 2.17516 TIMING: 3920600 CPU: 11792.5, 0.00301232/step Wall: 11792.5, 0.00301232/step, 0.903193 hours remaining, 209.199219 MB of memory in use. ENERGY: 3920600 766.3542 2077.9398 1919.2133 125.1951 -206177.0342 17809.3085 0.0000 0.0000 34261.2333 -149217.7899 299.2119 -183479.0232 -149122.3725 299.9294 -69.6182 -32.1893 558415.3899 -2.8444 -2.9267 PRESSURE: 3920800 261.158 -5.04774 -17.8198 -5.04721 132.521 -34.0868 -17.8195 -34.0885 215.154 GPRESSURE: 3920800 343.251 -3.90323 -46.0432 -37.3073 158.068 -42.5108 -19.0738 65.9882 181.282 PRESSAVG: 3920800 -14.9921 3.56405 -8.90981 3.56414 -10.5287 -51.6672 -8.90985 -51.6671 48.1792 GPRESSAVG: 3920800 -14.1306 3.8173 -9.42871 3.19251 -11.2316 -49.5391 -8.75974 -52.8715 48.1829 TIMING: 3920800 CPU: 11793.1, 0.0030001/step Wall: 11793.1, 0.0030001/step, 0.899362 hours remaining, 209.199219 MB of memory in use. ENERGY: 3920800 740.3026 2121.3373 1946.1420 113.1556 -206026.9597 17814.0553 0.0000 0.0000 34233.9581 -149058.0088 298.9737 -183291.9669 -148968.4758 299.5950 202.9444 227.5338 558265.0656 7.5528 7.6069 PRESSURE: 3921000 20.7792 -50.5191 -9.63678 -50.519 234.812 -25.4525 -9.63769 -25.4534 48.678 GPRESSURE: 3921000 10.9078 21.0771 -38.7185 -71.2568 270.143 -30.0617 -6.8485 9.33379 107.092 PRESSAVG: 3921000 35.3089 -72.4114 -6.92307 -72.4114 18.1492 16.0422 -6.92317 16.0422 -28.5084 GPRESSAVG: 3921000 35.1314 -70.3382 -7.60735 -72.3569 18.1101 13.5584 -5.83085 16.0205 -28.3806 TIMING: 3921000 CPU: 11793.7, 0.00300907/step Wall: 11793.7, 0.00300907/step, 0.901885 hours remaining, 209.199219 MB of memory in use. ENERGY: 3921000 736.1102 2116.3376 1959.8329 128.8929 -206195.6913 17781.6399 0.0000 0.0000 34276.3562 -149196.5217 299.3439 -183472.8779 -149095.0243 299.7742 101.4231 129.3807 557821.7338 8.3166 8.2870 PRESSURE: 3921200 16.3846 76.3519 -168.763 76.3522 -323.111 -34.8326 -168.763 -34.8323 -191.938 GPRESSURE: 3921200 -35.6676 88.8185 -99.4637 161.378 -239.678 -44.591 -140.097 -60.2885 -128.037 PRESSAVG: 3921200 16.2418 11.2262 -2.03589 11.2262 0.79038 53.4594 -2.03599 53.4593 2.4917 GPRESSAVG: 3921200 16.2589 8.49517 -1.59324 12.9006 0.511451 54.9215 -2.39455 53.5717 3.2771 TIMING: 3921200 CPU: 11794.3, 0.00299975/step Wall: 11794.3, 0.00299975/step, 0.898926 hours remaining, 209.402344 MB of memory in use. ENERGY: 3921200 736.9236 2135.3079 1938.0494 109.1392 -205787.6274 17515.2336 0.0000 0.0000 34106.0169 -149246.9567 297.8563 -183352.9736 -149144.6383 298.4966 -166.2214 -134.4609 557530.3751 6.5080 6.6825 PRESSURE: 3921400 -236.234 166.231 -91.7711 166.231 -23.3208 13.1051 -91.7693 13.1058 -31.0484 GPRESSURE: 3921400 -187.351 137.578 -97.1012 158.468 15.2709 -25.7989 -72.4747 70.2273 -29.8509 PRESSAVG: 3921400 0.394094 29.2557 -38.0545 29.2557 67.3253 4.46239 -38.0545 4.46233 -71.7727 GPRESSAVG: 3921400 0.199028 29.3324 -38.4728 26.5988 68.5105 1.72663 -36.4506 5.79101 -72.611 TIMING: 3921400 CPU: 11794.9, 0.00301286/step Wall: 11794.9, 0.00301286/step, 0.902685 hours remaining, 209.402344 MB of memory in use. ENERGY: 3921400 777.4837 2115.7755 1949.1867 116.9521 -206113.0760 17655.7213 0.0000 0.0000 34245.3418 -149252.6149 299.0731 -183497.9567 -149174.8429 299.0417 -96.8678 -67.3102 558254.2660 -1.3511 -1.3005 PRESSURE: 3921600 -98.8987 -59.951 60.6385 -59.9514 -82.9025 121.291 60.6387 121.29 -206.935 GPRESSURE: 3921600 -53.5451 -167.166 56.9371 -14.3994 -13.7331 80.5914 75.5923 77.1053 -217.782 PRESSAVG: 3921600 -40.8748 48.4178 -64.1629 48.4178 3.11285 33.3261 -64.1629 33.3262 5.16726 GPRESSAVG: 3921600 -40.3337 49.4792 -63.475 51.1386 1.62428 35.0762 -63.2241 31.1746 5.1668 TIMING: 3921600 CPU: 11795.5, 0.00299145/step Wall: 11795.5, 0.00299145/step, 0.896106 hours remaining, 209.402344 MB of memory in use. ENERGY: 3921600 724.5593 2077.9629 1929.7368 113.8204 -205868.1297 17494.9935 0.0000 0.0000 34141.1375 -149385.9193 298.1630 -183527.0568 -149288.2009 298.9741 -129.5789 -95.0202 557046.2825 -10.8649 -11.1809 PRESSURE: 3921800 151.777 83.5533 -56.6605 83.5521 -91.0012 -188.115 -56.6606 -188.116 -124.604 GPRESSURE: 3921800 133.845 86.6603 -12.8259 45.371 -40.5542 -77.0124 -33.5746 -140.998 -66.4606 PRESSAVG: 3921800 42.8107 30.7378 -80.9525 30.7376 -22.8474 15.4627 -80.9525 15.4627 -39.6188 GPRESSAVG: 3921800 41.3842 30.0815 -80.763 29.4747 -21.4603 15.8455 -83.4943 17.1247 -39.7903 TIMING: 3921800 CPU: 11796.1, 0.00298518/step Wall: 11796.1, 0.00298518/step, 0.894062 hours remaining, 209.402344 MB of memory in use. ENERGY: 3921800 774.4137 2131.4304 1908.2013 109.7224 -206677.8071 17988.8381 0.0000 0.0000 34430.9444 -149334.2568 300.6940 -183765.2012 -149236.6874 298.5629 -21.2763 8.9433 556286.3619 -6.5518 -6.6222 PRESSURE: 3922000 -237.469 -50.4065 -116.208 -50.4055 -37.7095 22.0286 -116.207 22.0277 55.1144 GPRESSURE: 3922000 -134.439 47.8469 -66.7346 -44.8778 -48.5428 93.1723 -234.341 -9.0953 74.1107 PRESSAVG: 3922000 40.0915 49.734 -49.0419 49.7341 12.0575 27.6863 -49.042 27.6863 6.28129 GPRESSAVG: 3922000 42.0293 47.9438 -49.2739 52.0369 11.2271 29.4958 -49.696 26.2131 5.27547 TIMING: 3922000 CPU: 11796.7, 0.00299884/step Wall: 11796.7, 0.00299884/step, 0.897986 hours remaining, 209.402344 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: 3922000 703.6138 2140.6367 1947.7198 108.0418 -206474.2340 17868.1150 0.0000 0.0000 34403.4738 -149302.6331 300.4541 -183706.1069 -149202.3225 299.4333 -73.3547 -36.2903 555745.6135 19.4768 19.5106 PRESSURE: 3922200 -30.1942 -98.0441 -121.242 -98.0442 180.491 -107.95 -121.243 -107.951 165.915 GPRESSURE: 3922200 -54.9396 -45.571 -149.755 -157.443 180.381 -74.3634 -111.56 -134.275 296.543 PRESSAVG: 3922200 14.8569 14.1462 -13.9445 14.1461 -44.2632 -19.3074 -13.9445 -19.3073 61.9992 GPRESSAVG: 3922200 12.3975 15.4161 -14.228 12.4805 -43.9599 -22.2205 -13.4393 -18.0772 63.982 TIMING: 3922200 CPU: 11797.3, 0.00300454/step Wall: 11797.3, 0.00300454/step, 0.899525 hours remaining, 209.402344 MB of memory in use. ENERGY: 3922200 774.2664 2119.6625 1939.9569 104.8609 -206307.7399 17811.8761 0.0000 0.0000 34394.4120 -149162.7052 300.3750 -183557.1172 -149069.4378 299.3392 105.4039 140.6612 554985.3921 10.8643 10.8065 PRESSURE: 3922400 -50.794 64.5733 68.2562 64.573 189.084 60.441 68.2559 60.4396 143.298 GPRESSURE: 3922400 -22.2921 7.06349 120.837 146.957 255.453 87.5683 48.5765 128.878 141.718 PRESSAVG: 3922400 -31.7931 -4.83504 -14.3748 -4.83492 52.8526 -50.5909 -14.3748 -50.591 44.1794 GPRESSAVG: 3922400 -31.5483 -4.88712 -15.0626 -5.38681 52.1583 -50.2992 -13.6268 -51.6633 44.4511 TIMING: 3922400 CPU: 11797.9, 0.00301232/step Wall: 11797.9, 0.00301232/step, 0.901687 hours remaining, 209.402344 MB of memory in use. ENERGY: 3922400 741.2542 2132.0996 1942.4643 127.4123 -206349.7186 17923.2201 0.0000 0.0000 34223.8818 -149259.3864 298.8857 -183483.2682 -149172.1843 300.1786 93.8626 124.9599 555437.7990 21.7463 21.6870 PRESSURE: 3922600 -110.966 -67.8962 15.247 -67.8961 30.3745 -6.91936 15.2466 -6.91765 -12.5317 GPRESSURE: 3922600 -95.5135 -100.113 -77.4373 -47.6265 91.7782 41.9395 82.367 -56.873 5.02149 PRESSAVG: 3922600 25.5373 38.8713 14.6567 38.8713 22.8368 -1.3518 14.6567 -1.35183 17.6234 GPRESSAVG: 3922600 25.3966 39.8451 15.5691 38.9788 23.2668 0.954142 14.1252 -2.46681 16.8752 TIMING: 3922600 CPU: 11798.5, 0.0030101/step Wall: 11798.5, 0.0030101/step, 0.900855 hours remaining, 209.402344 MB of memory in use. ENERGY: 3922600 760.6097 2107.7887 1949.0042 103.8065 -206102.2712 17758.1491 0.0000 0.0000 34160.4815 -149262.4315 298.3320 -183422.9130 -149159.2141 300.1062 -31.0411 0.4287 557409.0746 21.9991 21.8462 PRESSURE: 3922800 -149.659 52.4274 127.292 52.4269 312.664 33.3819 127.292 33.3815 -38.8082 GPRESSURE: 3922800 -103.333 14.5333 150.159 42.1154 304.05 -2.10366 78.0423 32.4777 14.1156 PRESSAVG: 3922800 -68.7445 2.45009 19.5951 2.45008 57.6476 32.1713 19.5951 32.1714 -22.9003 GPRESSAVG: 3922800 -68.4661 0.539509 22.4685 1.31353 57.0961 30.4928 17.7779 32.3309 -22.7138 TIMING: 3922800 CPU: 11799.1, 0.00297568/step Wall: 11799.1, 0.00297568/step, 0.89039 hours remaining, 209.402344 MB of memory in use. ENERGY: 3922800 721.8237 2021.2182 1943.2000 113.4402 -206160.9609 17861.2350 0.0000 0.0000 34281.4048 -149218.6391 299.3880 -183500.0439 -149119.7171 299.1005 41.3991 71.6110 557266.4060 -11.3324 -11.3613 PRESSURE: 3923000 -126.955 19.9359 -9.12255 19.9376 -155.336 -330.898 -9.12114 -330.898 -68.8228 GPRESSURE: 3923000 -120.406 13.5485 4.66486 -34.0413 -83.2481 -297.488 15.3074 -305.366 -52.438 PRESSAVG: 3923000 15.5683 -30.6198 0.365229 -30.6198 18.6822 -30.4798 0.365298 -30.4798 -20.177 GPRESSAVG: 3923000 15.8871 -29.4066 -2.58858 -28.1737 19.0365 -32.3602 3.92809 -31.1099 -21.3062 TIMING: 3923000 CPU: 11799.7, 0.00297591/step Wall: 11799.7, 0.00297591/step, 0.890293 hours remaining, 209.402344 MB of memory in use. ENERGY: 3923000 807.1249 2062.1660 1931.2930 105.9742 -206202.9175 17828.4333 0.0000 0.0000 34272.7072 -149195.2189 299.3121 -183467.9261 -149099.8631 299.5645 -117.0381 -85.3642 557035.4839 4.6912 4.5391 PRESSURE: 3923200 0.305529 -134.471 -99.3673 -134.472 -34.6546 -42.0112 -99.3665 -42.0109 60.5852 GPRESSURE: 3923200 40.0844 -42.0802 -114.301 -221.649 13.7662 -18.9553 -106.877 -8.1439 65.073 PRESSAVG: 3923200 12.3575 4.07285 -54.5406 4.07291 19.2176 -37.4386 -54.5405 -37.4385 -11.015 GPRESSAVG: 3923200 11.8032 4.37914 -52.8974 2.44431 19.4267 -37.3105 -55.2006 -36.7482 -10.4047 TIMING: 3923200 CPU: 11800.3, 0.00299239/step Wall: 11800.3, 0.00299239/step, 0.895058 hours remaining, 209.402344 MB of memory in use. ENERGY: 3923200 768.9271 1993.9037 1974.5963 108.5509 -205932.5785 17773.8317 0.0000 0.0000 34265.5376 -149047.2312 299.2495 -183312.7688 -148955.0343 300.1196 8.7454 39.6412 557271.1761 6.8533 6.9417 PRESSURE: 3923400 -353.113 -47.3975 -22.7688 -47.3989 -233.758 144.229 -22.7683 144.227 -114.709 GPRESSURE: 3923400 -287.343 -142.68 -113.578 52.2549 -218.883 152.911 4.71799 81.4826 -97.3223 PRESSAVG: 3923400 12.6749 -48.3454 -84.7607 -48.3454 -16.1435 0.945736 -84.7608 0.945721 11.6241 GPRESSAVG: 3923400 11.9085 -48.9567 -85.2761 -47.6961 -16.0832 3.46107 -87.629 -0.0760795 12.2512 TIMING: 3923400 CPU: 11800.9, 0.00299217/step Wall: 11800.9, 0.00299217/step, 0.894824 hours remaining, 209.402344 MB of memory in use. ENERGY: 3923400 766.5429 2076.8073 1942.2882 115.7154 -205557.8472 17494.7076 0.0000 0.0000 34253.3554 -148908.4304 299.1431 -183161.7857 -148812.7789 299.8613 -233.8601 -201.1828 559262.3203 2.7185 2.6922 PRESSURE: 3923600 70.2251 30.3344 44.8189 30.3346 -226.444 -161.806 44.8192 -161.806 -81.213 GPRESSURE: 3923600 64.9666 68.0223 4.28432 106.307 -173.771 -151.89 19.39 -116.257 -40.4446 PRESSAVG: 3923600 41.4037 -1.41632 -6.5225 -1.41629 -8.90224 -0.745773 -6.52244 -0.745811 -12.9331 GPRESSAVG: 3923600 42.0718 -1.98711 -6.88138 -2.89496 -9.38661 -1.9877 -3.20394 0.987172 -13.054 TIMING: 3923600 CPU: 11801.5, 0.00299897/step Wall: 11801.5, 0.00299897/step, 0.896693 hours remaining, 209.402344 MB of memory in use. ENERGY: 3923600 737.0659 2066.7181 1936.4412 112.5625 -205721.9165 17550.2655 0.0000 0.0000 34518.5352 -148800.3282 301.4590 -183318.8634 -148700.6736 299.5821 -79.1439 -49.7496 557774.4821 6.5228 6.5437 PRESSURE: 3923800 83.1246 -52.2795 32.8131 -52.2796 107.235 -25.8276 32.812 -25.8274 -84.6953 GPRESSURE: 3923800 118.608 -90.7752 73.1469 -34.0965 126.451 -80.7619 -49.9593 2.06002 -42.6155 PRESSAVG: 3923800 4.37305 -32.409 14.5058 -32.4089 -10.4421 -39.2687 14.5058 -39.2687 35.0839 GPRESSAVG: 3923800 4.4984 -30.2919 14.1759 -32.8158 -10.3135 -38.9162 13.4789 -39.263 34.4128 TIMING: 3923800 CPU: 11802.1, 0.00295177/step Wall: 11802.1, 0.00295177/step, 0.882415 hours remaining, 209.402344 MB of memory in use. ENERGY: 3923800 747.7803 2149.1889 1924.9254 118.5631 -206016.6660 18010.0468 0.0000 0.0000 34323.3659 -148742.7957 299.7545 -183066.1616 -148651.5357 300.8150 35.2215 67.4811 558001.7643 9.6716 9.5325 PRESSURE: 3924000 76.5794 -102.828 53.7397 -102.828 193.688 -103.271 53.7415 -103.269 67.8599 GPRESSURE: 3924000 120.331 -77.2711 42.0469 -111.777 181.294 -152.238 2.64184 -123.061 129.643 PRESSAVG: 3924000 24.9342 -42.7977 -7.0708 -42.7977 30.6015 16.8275 -7.07073 16.8275 -4.6551 GPRESSAVG: 3924000 24.4836 -42.7181 -7.06966 -41.8039 30.4136 17.1467 -7.84919 15.9433 -4.06985 TIMING: 3924000 CPU: 11802.7, 0.00296433/step Wall: 11802.7, 0.00296433/step, 0.886004 hours remaining, 209.402344 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: 3924000 787.9515 2098.2857 1944.5636 99.2581 -205862.2741 17798.9473 0.0000 0.0000 34507.9934 -148625.2743 301.3669 -183133.2678 -148525.3260 300.8203 112.7092 143.7560 557884.8209 16.9602 16.9425 PRESSURE: 3924200 -51.6587 143.025 28.1885 143.024 -51.2837 20.4512 28.1875 20.4511 157.837 GPRESSURE: 3924200 -91.2088 161.316 38.7697 61.6185 -47.4766 38.5647 -25.0491 76.3644 294.024 PRESSAVG: 3924200 -32.5308 27.0319 -23.8172 27.0318 -10.3139 15.8897 -23.8171 15.8898 25.9079 GPRESSAVG: 3924200 -31.8243 26.667 -22.6995 25.9575 -10.1007 16.0921 -24.2258 16.8912 24.6919 TIMING: 3924200 CPU: 11803.3, 0.0029931/step Wall: 11803.3, 0.0029931/step, 0.894438 hours remaining, 209.402344 MB of memory in use. ENERGY: 3924200 756.0039 2183.5251 1921.3959 120.8551 -205929.6930 17889.2021 0.0000 0.0000 34485.1855 -148573.5255 301.1677 -183058.7110 -148480.1672 301.2144 18.2982 51.7796 558589.8691 -5.6456 -5.7444 LDB: ============= START OF LOAD BALANCING ============== 11806.8 LDB: ============== END OF LOAD BALANCING =============== 11806.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11806.8 LDB: ============= START OF LOAD BALANCING ============== 11807.1 LDB: Largest compute 4773 load 0.026266 is 22.2% of average load 0.118229 LDB: Average compute 0.001714 is 1.4% of average load 0.118229 LDB: TIME 11807.1 LOAD: AVG 0.118229 MAX 0.210415 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.281 MB LDB: TIME 11807.1 LOAD: AVG 0.118229 MAX 0.210415 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: TIME 11807.1 LOAD: AVG 0.118229 MAX 0.210415 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: ============== END OF LOAD BALANCING =============== 11807.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11807.1 PRESSURE: 3924400 -297.594 50.3719 -37.1711 50.3728 -72.7368 91.5071 -37.1701 91.5063 47.9821 GPRESSURE: 3924400 -271.838 57.0504 -43.7313 42.2348 14.0993 109.453 -47.386 166.111 42.3928 PRESSAVG: 3924400 0.66561 23.0674 25.0269 23.0674 -13.9033 72.6184 25.0269 72.6183 36.5453 GPRESSAVG: 3924400 0.529342 22.6453 23.5271 25.507 -14.0136 72.522 26.0039 72.939 37.1739 TIMING: 3924400 CPU: 11803.9, 0.00301848/step Wall: 11803.9, 0.00301848/step, 0.901856 hours remaining, 209.789062 MB of memory in use. ENERGY: 3924400 732.8023 2090.4963 1923.6811 108.1378 -205627.0324 17505.7608 0.0000 0.0000 34563.5477 -148702.6065 301.8521 -183266.1542 -148599.2314 301.0739 -107.4495 -71.7820 558741.5269 7.7692 7.8966 PRESSURE: 3924600 28.1302 55.4604 121.402 55.4616 -43.335 -17.5581 121.401 -17.5579 -66.9296 GPRESSURE: 3924600 -13.6697 127.886 19.1819 0.875127 30.615 46.7001 215.868 37.9237 8.97661 PRESSAVG: 3924600 -6.00758 1.43562 22.4603 1.43558 -21.5561 -7.68601 22.4604 -7.68608 21.844 GPRESSAVG: 3924600 -6.53875 1.46023 21.6781 0.313118 -22.1285 -7.58638 22.2633 -8.1988 23.0418 TIMING: 3924600 CPU: 11804.5, 0.00296423/step Wall: 11804.5, 0.00296423/step, 0.885481 hours remaining, 209.992188 MB of memory in use. ENERGY: 3924600 734.2880 2115.1204 1934.6636 118.3799 -205408.9129 17593.9778 0.0000 0.0000 34359.5785 -148552.9046 300.0707 -182912.4831 -148449.0012 300.9739 -27.3781 8.6406 558696.8481 -1.9066 -1.8751 PRESSURE: 3924800 -76.135 -50.6286 60.1088 -50.6282 235.466 -28.8842 60.1084 -28.8854 92.4307 GPRESSURE: 3924800 26.057 -45.3438 84.1016 -58.2295 265.409 21.7864 29.1687 -48.9585 44.4256 PRESSAVG: 3924800 -13.88 16.6835 33.6413 16.6835 64.0749 2.49449 33.6413 2.49444 -49.2298 GPRESSAVG: 3924800 -12.7931 16.8366 36.7758 16.2891 63.479 2.4413 31.7722 1.87342 -50.3309 TIMING: 3924800 CPU: 11805.1, 0.00295165/step Wall: 11805.1, 0.00295165/step, 0.88156 hours remaining, 209.992188 MB of memory in use. ENERGY: 3924800 764.5203 2067.9615 1959.9790 112.0689 -205748.8523 17846.6151 0.0000 0.0000 34302.7341 -148694.9733 299.5743 -182997.7074 -148599.6382 300.5999 83.9205 111.9638 557324.5289 0.3217 0.1183 PRESSURE: 3925000 -42.9276 -113.002 -22.4928 -113.004 -276.299 124.76 -22.4923 124.759 -102.728 GPRESSURE: 3925000 -84.381 -90.8975 -87.3066 -81.7087 -214.496 73.6473 39.2589 137.322 -32.4404 PRESSAVG: 3925000 -38.1807 44.8095 -47.7608 44.8095 53.7562 -24.3956 -47.7607 -24.3955 -60.7688 GPRESSAVG: 3925000 -39.9324 45.4555 -49.3597 44.9664 54.5094 -24.3576 -46.5766 -23.8166 -60.0481 TIMING: 3925000 CPU: 11805.7, 0.00296272/step Wall: 11805.7, 0.00296272/step, 0.884702 hours remaining, 209.992188 MB of memory in use. ENERGY: 3925000 735.2398 2048.3388 1952.6799 114.2556 -205832.8480 17680.2865 0.0000 0.0000 34589.2403 -148712.8072 302.0764 -183302.0475 -148615.0500 300.8492 -140.6516 -110.4393 557457.0137 -15.0644 -15.1570 PRESSURE: 3925200 -215.955 9.16471 -118.617 9.16483 -163.412 12.6092 -118.618 12.6082 -43.5314 GPRESSURE: 3925200 -148.594 -36.5405 -71.9836 1.59728 -91.2037 40.2572 -105.068 19.923 -89.0183 PRESSAVG: 3925200 35.5917 5.00605 7.65668 5.00598 -66.4144 19.2373 7.65667 19.2372 18.027 GPRESSAVG: 3925200 37.1978 4.95708 10.0583 4.09571 -66.8707 19.771 6.46141 17.4836 16.4308 TIMING: 3925200 CPU: 11806.3, 0.00294655/step Wall: 11806.3, 0.00294655/step, 0.879708 hours remaining, 209.992188 MB of memory in use. ENERGY: 3925200 723.3854 2099.3167 1931.6338 124.6344 -205501.3105 17368.6519 0.0000 0.0000 34601.8257 -148651.8626 302.1864 -183253.6883 -148557.7511 301.7662 -140.9661 -109.6053 558371.2969 -4.2652 -4.4141 PRESSURE: 3925400 -220.96 119.112 104.776 119.111 -237.707 171.335 104.776 171.336 10.0675 GPRESSURE: 3925400 -190.694 99.9292 60.5362 66.1735 -208.305 183.333 159.39 178.531 50.8833 PRESSAVG: 3925400 51.7591 41.3013 10.5423 41.3014 -15.8553 24.5826 10.5423 24.5826 -7.25093 GPRESSAVG: 3925400 50.7884 41.1171 8.17697 40.8672 -15.8424 24.6216 12.4333 25.5086 -6.56921 TIMING: 3925400 CPU: 11806.9, 0.00295571/step Wall: 11806.9, 0.00295571/step, 0.882278 hours remaining, 209.992188 MB of memory in use. ENERGY: 3925400 736.1571 2113.9168 1973.1129 104.8341 -205695.9805 17523.5157 0.0000 0.0000 34516.3267 -148728.1172 301.4397 -183244.4440 -148636.3361 301.3054 -149.5333 -116.0387 557932.6952 9.5510 9.4589 PRESSURE: 3925600 73.0324 5.40399 11.0835 5.40416 51.5496 -138.503 11.0834 -138.504 -200.427 GPRESSURE: 3925600 39.4011 -28.9574 -34.418 -3.49866 62.816 -167.984 -9.69398 -71.4012 -84.9918 PRESSAVG: 3925600 -10.9379 72.6863 39.1316 72.6862 40.2789 -17.9327 39.1315 -17.9327 -3.05565 GPRESSAVG: 3925600 -10.1706 73.1926 39.3222 71.4489 38.9392 -17.3025 37.512 -16.7366 -2.71333 TIMING: 3925600 CPU: 11807.5, 0.00297335/step Wall: 11807.5, 0.00297335/step, 0.887381 hours remaining, 209.992188 MB of memory in use. ENERGY: 3925600 701.5029 2140.1678 1957.3193 118.2743 -205653.6231 17591.5339 0.0000 0.0000 34327.9131 -148816.9117 299.7942 -183144.8248 -148723.6741 300.5004 -25.2818 5.7418 559076.9224 8.7618 8.6851 PRESSURE: 3925800 0.0377068 -38.5455 6.09612 -38.5455 -35.1871 116.492 6.09791 116.494 -293.961 GPRESSURE: 3925800 -31.2923 10.5507 88.6272 -35.6314 16.0672 102.752 -17.6824 119.737 -210.657 PRESSAVG: 3925800 46.9621 47.0399 43.0858 47.0399 -0.641013 -20.6359 43.0857 -20.6359 -5.92213 GPRESSAVG: 3925800 46.6788 45.9897 42.6513 49.219 1.04713 -22.3192 43.2281 -22.2056 -7.36525 TIMING: 3925800 CPU: 11808.1, 0.00298763/step Wall: 11808.1, 0.00298763/step, 0.891475 hours remaining, 209.992188 MB of memory in use. ENERGY: 3925800 728.6702 2127.7177 1914.2884 108.5456 -205640.9315 17681.6188 0.0000 0.0000 34480.3884 -148599.7025 301.1258 -183080.0909 -148498.7736 300.6189 -109.7034 -75.2939 560066.6432 13.4663 13.4536 PRESSURE: 3926000 -176.71 -88.7917 68.278 -88.7919 254.489 -63.656 68.2778 -63.6557 121.435 GPRESSURE: 3926000 -113.155 -94.1008 -11.8703 -65.7566 315.641 -28.5726 115.55 -67.4107 110.926 PRESSAVG: 3926000 -20.8987 -47.3411 19.8443 -47.341 25.3279 -15.155 19.8442 -15.155 -2.18802 GPRESSAVG: 3926000 -20.9792 -48.3885 19.1803 -46.7818 25.0621 -13.5469 21.6535 -17.9527 -1.68912 TIMING: 3926000 CPU: 11808.6, 0.00299032/step Wall: 11808.6, 0.00299032/step, 0.892111 hours remaining, 209.992188 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: 3926000 706.7880 2125.1279 1938.8039 125.5217 -205713.8556 17802.4708 0.0000 0.0000 34312.6753 -148702.4680 299.6611 -183015.1434 -148617.2752 300.9665 66.4046 104.4705 559305.1512 0.7470 0.7979 PRESSURE: 3926200 76.4534 -91.4433 -127.536 -91.4426 -6.77275 -49.7216 -127.537 -49.7229 56.004 GPRESSURE: 3926200 55.4438 -58.7704 -225.796 -43.1077 34.3982 -162.717 -136.646 -11.126 120.791 PRESSAVG: 3926200 2.97166 -6.8176 3.90217 -6.81766 0.120967 -20.4011 3.90222 -20.401 -4.47407 GPRESSAVG: 3926200 3.77771 -6.33604 3.80863 -5.17483 -1.21122 -21.5774 0.139259 -17.9939 -4.03051 TIMING: 3926200 CPU: 11809.2, 0.00298073/step Wall: 11809.2, 0.00298073/step, 0.889087 hours remaining, 209.992188 MB of memory in use. ENERGY: 3926200 730.7468 2090.1630 1925.5001 105.4519 -205783.9426 17869.4369 0.0000 0.0000 34385.7951 -148676.8490 300.2997 -183062.6440 -148571.5077 300.7423 41.8949 70.2111 559229.9238 -0.4605 -0.4880 PRESSURE: 3926400 -24.6001 76.3011 -1.8209 76.3009 116.522 -168.3 -1.82138 -168.301 -269.345 GPRESSURE: 3926400 62.7099 104.037 -39.3469 46.9228 148.772 -40.9065 44.4663 -204.649 -294.226 PRESSAVG: 3926400 -26.6117 0.016621 58.7682 0.0167021 35.5138 -75.0511 58.7681 -75.0512 -36.4151 GPRESSAVG: 3926400 -25.8413 -0.0796423 58.9935 -1.45186 35.513 -75.3706 61.4284 -73.1523 -37.4875 TIMING: 3926400 CPU: 11809.8, 0.00299191/step Wall: 11809.8, 0.00299191/step, 0.892253 hours remaining, 209.992188 MB of memory in use. ENERGY: 3926400 708.9748 2089.0556 1937.0297 105.6530 -205487.4210 17627.3334 0.0000 0.0000 34390.7214 -148628.6531 300.3427 -183019.3744 -148534.2706 300.5211 -59.1411 -27.5813 559822.2747 -9.1710 -9.2719 PRESSURE: 3926600 110.388 -48.737 85.5055 -48.7382 101.739 -22.1345 85.505 -22.1344 -232.272 GPRESSURE: 3926600 109.02 -33.2886 139.375 -61.0236 101.744 0.235316 -20.9698 -12.1845 -135.513 PRESSAVG: 3926600 38.0278 49.8822 31.0116 49.8823 3.5453 -6.94134 31.0116 -6.94125 -31.5957 GPRESSAVG: 3926600 35.5839 49.9026 30.4258 48.6185 4.65823 -6.22796 31.1083 -9.69476 -30.2838 TIMING: 3926600 CPU: 11810.4, 0.00302009/step Wall: 11810.4, 0.00302009/step, 0.900492 hours remaining, 209.992188 MB of memory in use. ENERGY: 3926600 756.1181 2135.8852 1933.7868 111.0235 -205844.4425 17809.9628 0.0000 0.0000 34432.1832 -148665.4828 300.7048 -183097.6661 -148571.0550 300.9186 -6.7150 25.0835 559134.6085 3.3258 3.3194 PRESSURE: 3926800 -46.2423 -2.10509 -69.0078 -2.10512 -146.884 -81.1928 -69.0077 -81.1917 -144.335 GPRESSURE: 3926800 22.4289 -8.6638 -16.1712 -92.9339 -140.814 -25.2977 -47.085 -9.82492 -130.28 PRESSAVG: 3926800 12.4287 39.517 12.8707 39.5169 -47.8842 -35.6522 12.8707 -35.652 10.4398 GPRESSAVG: 3926800 14.3993 40.9426 14.0759 39.1197 -49.9723 -37.2679 11.7151 -35.437 10.117 TIMING: 3926800 CPU: 11811, 0.00298449/step Wall: 11811, 0.00298449/step, 0.889708 hours remaining, 209.992188 MB of memory in use. ENERGY: 3926800 750.2882 2107.7940 1971.6596 108.0574 -205443.0965 17520.1132 0.0000 0.0000 34210.1589 -148775.0252 298.7658 -182985.1841 -148681.1802 300.7024 -112.4872 -82.8883 559403.3104 -8.3385 -8.4853 PRESSURE: 3927000 -32.4471 38.7736 50.2986 38.7728 103.264 170.051 50.2992 170.05 234.116 GPRESSURE: 3927000 10.3596 83.0467 -2.91156 41.4858 153.167 251.98 200.061 133.145 245.505 PRESSAVG: 3927000 28.3386 26.3015 -4.13528 26.3015 -14.9325 50.763 -4.13527 50.763 -2.10267 GPRESSAVG: 3927000 27.6256 25.2112 -4.73794 27.1173 -14.0807 51.4108 -3.1747 50.7069 -2.09213 TIMING: 3927000 CPU: 11811.6, 0.00296185/step Wall: 11811.6, 0.00296185/step, 0.882796 hours remaining, 209.992188 MB of memory in use. ENERGY: 3927000 740.2470 2100.4454 1943.6877 111.4080 -205792.5159 17905.8076 0.0000 0.0000 34087.0986 -148903.8217 297.6911 -182990.9203 -148805.6305 300.0374 101.6444 136.3440 557848.4895 3.7678 3.8176 PRESSURE: 3927200 241.63 82.8684 -20.8575 82.8678 361.541 39.8944 -20.8583 39.8952 269.844 GPRESSURE: 3927200 269.907 43.2234 -13.418 75.4933 399.075 26.2579 22.5854 -0.56839 313.159 PRESSAVG: 3927200 20.7842 -38.6258 -5.22468 -38.6258 65.2292 49.4577 -5.22478 49.4575 -46.1105 GPRESSAVG: 3927200 21.7251 -38.1343 -5.8669 -38.2167 64.1613 50.0957 -5.09053 49.889 -46.1056 TIMING: 3927200 CPU: 11812.2, 0.00296238/step Wall: 11812.2, 0.00296238/step, 0.88279 hours remaining, 209.992188 MB of memory in use. ENERGY: 3927200 736.9521 2051.8691 1957.9777 111.1241 -206270.6789 18180.9075 0.0000 0.0000 34267.7989 -148964.0494 299.2692 -183231.8484 -148867.5920 299.8000 291.0047 327.3802 557827.9453 13.3010 13.2603 PRESSURE: 3927400 -174.067 -64.4982 22.4197 -64.4992 318.896 31.709 22.4202 31.7085 48.3436 GPRESSURE: 3927400 -105.63 -46.2924 9.03009 -25.0682 313.758 14.4397 30.5296 45.87 70.9053 PRESSAVG: 3927400 -26.6722 -40.7767 1.08008 -40.7767 6.32012 9.5307 1.08008 9.53069 27.7112 GPRESSAVG: 3927400 -28.9026 -39.5323 2.67759 -43.3058 8.36742 8.55086 1.2872 9.97843 27.4885 TIMING: 3927400 CPU: 11812.8, 0.0029866/step Wall: 11812.8, 0.0029866/step, 0.889841 hours remaining, 209.992188 MB of memory in use. ENERGY: 3927400 737.6867 2049.0741 1950.7626 108.0306 -205869.5519 17704.6848 0.0000 0.0000 34303.1668 -149016.1462 299.5781 -183319.3130 -148917.8957 299.8760 64.3908 93.0112 559027.3556 2.4530 2.3178 PRESSURE: 3927600 227.042 -116.444 52.4369 -116.444 -162.486 43.7831 52.4366 43.7844 103.9 GPRESSURE: 3927600 200.414 -97.3325 51.6825 -127.179 -56.9667 2.77369 68.5033 71.8441 131.975 PRESSAVG: 3927600 72.5567 15.016 28.6887 15.016 -17.5299 -20.4085 28.6887 -20.4084 -5.56902 GPRESSAVG: 3927600 74.1889 14.974 27.8955 15.0378 -17.9101 -20.5902 27.5781 -18.644 -7.14939 TIMING: 3927600 CPU: 11813.4, 0.00296756/step Wall: 11813.4, 0.00296756/step, 0.884002 hours remaining, 209.992188 MB of memory in use. ENERGY: 3927600 746.7940 2059.7461 1958.8996 121.8492 -206267.0213 17874.1257 0.0000 0.0000 34491.2293 -149014.3774 301.2205 -183505.6067 -148918.7857 299.6175 56.1517 91.8073 557183.9090 16.4859 16.3764 PRESSURE: 3927800 -164.259 -135.901 3.01278 -135.902 -483.605 -48.8273 3.01224 -48.8256 -32.4886 GPRESSURE: 3927800 -136.547 -102.935 -5.03318 -48.587 -419.179 -86.9354 51.8479 -93.3756 -28.0952 PRESSAVG: 3927800 -16.6844 -4.971 -19.2643 -4.9711 -32.5286 -3.89252 -19.2643 -3.89251 33.4562 GPRESSAVG: 3927800 -17.3979 -4.66633 -20.0728 -3.06729 -32.7215 -2.81109 -18.4996 -6.10125 34.4671 TIMING: 3927800 CPU: 11814, 0.00297663/step Wall: 11814, 0.00297663/step, 0.886541 hours remaining, 209.992188 MB of memory in use. ENERGY: 3927800 750.5498 2108.7608 1947.2754 118.2450 -205066.6634 17077.0499 0.0000 0.0000 34100.3754 -148964.4071 297.8071 -183064.7825 -148875.0176 299.7699 -226.7841 -194.6070 557858.3272 -5.2523 -5.2174 PRESSURE: 3928000 82.2777 29.8006 3.85648 29.8006 -10.7522 56.6665 3.85702 56.6663 -161.627 GPRESSURE: 3928000 144.368 82.4622 -88.5713 12.384 -16.0857 5.49052 47.0208 103.013 -132.287 PRESSAVG: 3928000 -12.8154 -19.9933 16.4369 -19.9932 3.81288 4.56373 16.4369 4.56372 23.4223 GPRESSAVG: 3928000 -11.8269 -21.0017 18.0988 -22.3566 4.38899 5.121 15.0578 4.4359 22.044 TIMING: 3928000 CPU: 11814.6, 0.00295423/step Wall: 11814.6, 0.00295423/step, 0.879704 hours remaining, 209.992188 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: 3928000 783.2746 2102.7598 1970.8966 119.3738 -205761.6363 17619.8790 0.0000 0.0000 34250.0681 -148915.3845 299.1144 -183165.4525 -148828.3450 299.4322 -30.0339 -1.3350 557424.4290 4.8066 4.8687 PRESSURE: 3928200 0.64279 -66.3159 190.742 -66.3151 -195.253 46.1379 190.742 46.1375 -263.303 GPRESSURE: 3928200 73.5828 -114.382 161.716 38.1042 -163.165 145.179 180.894 23.4905 -277.539 PRESSAVG: 3928200 44.8984 -2.72513 28.3722 -2.72509 33.6338 35.9668 28.3721 35.9667 -91.2797 GPRESSAVG: 3928200 43.8246 -2.81323 25.9891 -1.6464 33.5962 36.0542 30.5988 35.6372 -89.3179 TIMING: 3928200 CPU: 11815.2, 0.00298149/step Wall: 11815.2, 0.00298149/step, 0.887656 hours remaining, 209.992188 MB of memory in use. ENERGY: 3928200 733.6733 2030.5727 1946.4801 112.0598 -205660.9760 17486.9761 0.0000 0.0000 34390.6311 -148960.5829 300.3419 -183351.2140 -148862.7167 299.3480 -152.6378 -122.3736 558047.6094 -4.2492 -3.9657 LDB: ============= START OF LOAD BALANCING ============== 11818.7 LDB: ============== END OF LOAD BALANCING =============== 11818.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11818.7 LDB: ============= START OF LOAD BALANCING ============== 11819 LDB: Largest compute 4773 load 0.025694 is 21.7% of average load 0.118288 LDB: Average compute 0.001709 is 1.4% of average load 0.118288 LDB: TIME 11819 LOAD: AVG 0.118288 MAX 0.215946 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 11819 LOAD: AVG 0.118288 MAX 0.215946 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.434 MB LDB: TIME 11819 LOAD: AVG 0.118288 MAX 0.215946 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.434 MB LDB: ============== END OF LOAD BALANCING =============== 11819 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11819 PRESSURE: 3928400 86.3133 8.19988 -153.813 8.20082 -251.016 -75.426 -153.812 -75.4269 157.974 GPRESSURE: 3928400 110.537 -42.4004 -150.372 76.9514 -181.642 -86.2639 -111.557 -6.89673 155.728 PRESSAVG: 3928400 80.1797 11.9189 31.7357 11.9189 -36.8226 26.8912 31.7357 26.8913 -80.8144 GPRESSAVG: 3928400 81.2752 11.6913 34.5483 12.446 -37.4065 26.6466 29.3722 27.6573 -81.2104 TIMING: 3928400 CPU: 11815.8, 0.00305369/step Wall: 11815.8, 0.00305369/step, 0.908982 hours remaining, 210.214844 MB of memory in use. ENERGY: 3928400 810.0510 2122.4430 1940.8263 116.7118 -206287.2698 17940.0197 0.0000 0.0000 34209.0348 -149148.1832 298.7560 -183357.2180 -149055.4077 300.0446 -2.2427 28.2077 558789.3322 -12.4858 -12.4472 PRESSURE: 3928600 88.6007 -196.587 27.2295 -196.587 -277.682 -48.5937 27.2302 -48.5946 -234.53 GPRESSURE: 3928600 170.821 -182.5 71.2229 -209.191 -250.599 -35.6846 -25.9986 -90.3706 -245.003 PRESSAVG: 3928600 48.5226 -33.5271 -8.58231 -33.5272 -65.0898 -38.9741 -8.58229 -38.9741 -25.3653 GPRESSAVG: 3928600 48.9401 -33.5527 -9.56064 -34.6042 -65.0463 -41.3027 -8.1937 -40.5446 -25.5065 TIMING: 3928600 CPU: 11816.4, 0.00298398/step Wall: 11816.4, 0.00298398/step, 0.888066 hours remaining, 210.417969 MB of memory in use. ENERGY: 3928600 763.7579 2110.8717 1952.0643 112.6422 -205747.2848 17631.8047 0.0000 0.0000 34116.6627 -149059.4814 297.9493 -183176.1440 -148959.4026 299.2263 -141.2038 -108.2606 558451.3730 -13.9775 -13.8709 PRESSURE: 3928800 -57.8424 -186.864 -74.2471 -186.865 -58.9222 -83.612 -74.2476 -83.6115 161.191 GPRESSURE: 3928800 7.24645 -222.781 -98.8497 -99.2857 -65.8627 -95.6264 -88.9695 -63.2323 206.032 PRESSAVG: 3928800 86.1366 3.72402 0.0470783 3.72395 -26.6857 -39.3187 0.0471691 -39.3187 -10.2942 GPRESSAVG: 3928800 84.7663 4.93718 -0.714194 5.1262 -26.695 -37.6431 0.416976 -37.3117 -8.89383 TIMING: 3928800 CPU: 11817, 0.00299673/step Wall: 11817, 0.00299673/step, 0.891693 hours remaining, 210.417969 MB of memory in use. ENERGY: 3928800 704.7189 2192.8809 1960.4112 113.1240 -206210.2093 17702.7634 0.0000 0.0000 34333.0706 -149203.2403 299.8392 -183536.3109 -149112.6145 299.5870 14.8089 49.1386 556817.3113 16.3856 16.3925 PRESSURE: 3929000 139.399 80.3609 -113.429 80.3622 -170.188 -33.7011 -113.428 -33.6995 -13.1896 GPRESSURE: 3929000 137.53 145.148 -110.38 39.3904 -112.214 46.0726 -29.4803 -94.7898 33.9287 PRESSAVG: 3929000 61.8655 -4.12511 -13.0597 -4.12506 -26.1156 -34.4084 -13.0597 -34.4083 -29.8615 GPRESSAVG: 3929000 62.7791 -3.38826 -12.5 -5.32092 -25.6636 -35.5356 -12.619 -33.6425 -31.197 TIMING: 3929000 CPU: 11817.6, 0.00299993/step Wall: 11817.6, 0.00299993/step, 0.892478 hours remaining, 210.417969 MB of memory in use. ENERGY: 3929000 737.9508 2115.6082 1980.6156 120.0456 -205988.1041 17700.8629 0.0000 0.0000 34151.4674 -149181.5536 298.2533 -183333.0210 -149079.8809 298.9550 -14.6595 19.7482 557686.2276 1.9628 1.9728 PRESSURE: 3929200 -86.6448 202.019 -29.3769 202.02 -119.729 92.747 -29.3765 92.7473 -152.236 GPRESSURE: 3929200 -7.914 152.593 -78.7379 175.673 -70.3545 54.243 -67.1999 60.858 -188.214 PRESSAVG: 3929200 32.7966 4.18489 -63.6904 4.18484 -47.5666 7.56744 -63.6904 7.56731 -21.4694 GPRESSAVG: 3929200 32.3075 3.73924 -64.125 5.81696 -47.8055 9.48319 -64.7352 4.35776 -21.0085 TIMING: 3929200 CPU: 11818.2, 0.00297851/step Wall: 11818.2, 0.00297851/step, 0.885942 hours remaining, 210.417969 MB of memory in use. ENERGY: 3929200 738.8632 2090.7840 1957.4989 122.2863 -206024.9460 17725.3760 0.0000 0.0000 34224.0439 -149166.0938 298.8871 -183390.1377 -149067.5401 299.2379 -119.5366 -88.8275 559108.4615 -12.0798 -12.1688 PRESSURE: 3929400 203.254 -119.74 -61.39 -119.739 180.956 -3.20241 -61.3892 -3.20122 83.8913 GPRESSURE: 3929400 178.145 -92.1254 -135.345 -102.316 244.717 -22.3311 -57.7328 -2.36375 136.861 PRESSAVG: 3929400 -53.336 17.0458 -35.1151 17.0458 47.5561 19.1686 -35.1151 19.1686 -2.79227 GPRESSAVG: 3929400 -52.671 16.2957 -34.081 16.0412 47.743 16.7684 -35.828 20.4242 -3.67608 TIMING: 3929400 CPU: 11818.8, 0.00300009/step Wall: 11818.8, 0.00300009/step, 0.892195 hours remaining, 210.417969 MB of memory in use. ENERGY: 3929400 744.3495 2124.6845 1952.0190 114.6934 -206635.2707 18023.4024 0.0000 0.0000 34441.7019 -149234.4200 300.7879 -183676.1219 -149141.3398 299.4369 156.0340 186.5742 556936.8926 -2.8574 -2.8680 PRESSURE: 3929600 -195.128 139.738 -112.668 139.738 -166.274 95.6363 -112.669 95.6361 -162.281 GPRESSURE: 3929600 -207.805 250.945 -20.3228 111.879 -67.7363 131.033 -169.569 107.617 -159.966 PRESSAVG: 3929600 -58.9298 -39.418 -44.9522 -39.418 13.2234 33.6487 -44.9523 33.6487 34.6446 GPRESSAVG: 3929600 -60.0992 -40.9657 -45.3338 -36.4139 12.937 33.4396 -43.9213 35.2206 36.0526 TIMING: 3929600 CPU: 11819.4, 0.00302261/step Wall: 11819.4, 0.00302261/step, 0.898723 hours remaining, 210.417969 MB of memory in use. ENERGY: 3929600 741.6476 2076.6454 1950.7476 105.7617 -206034.9759 17641.0649 0.0000 0.0000 34224.2926 -149294.8161 298.8893 -183519.1087 -149197.7940 299.9950 -174.5610 -145.1689 557326.2828 -3.6873 -3.7032 PRESSURE: 3929800 -60.3175 129.004 -108.979 129.003 -10.0865 -184.891 -108.979 -184.891 -134.159 GPRESSURE: 3929800 -48.961 79.3458 -49.6904 141.204 56.4766 -135.998 -78.2004 -180.186 -125.794 PRESSAVG: 3929800 30.2443 -13.9254 -34.3551 -13.9254 26.6221 -6.49184 -34.355 -6.49183 -12.0509 GPRESSAVG: 3929800 30.8579 -13.819 -34.0467 -15.5431 26.0653 -6.18777 -33.8051 -8.1819 -12.561 TIMING: 3929800 CPU: 11820, 0.00301972/step Wall: 11820, 0.00301972/step, 0.897696 hours remaining, 210.417969 MB of memory in use. ENERGY: 3929800 736.5765 2077.6300 1954.0574 107.4331 -206154.8139 17730.3411 0.0000 0.0000 34313.8247 -149234.9513 299.6712 -183548.7760 -149134.7572 299.4242 -68.1876 -39.4260 556405.6498 14.9385 14.7874 PRESSURE: 3930000 -54.5799 -104.363 25.2098 -104.363 -49.7816 -91.4765 25.2098 -91.4766 8.13466 GPRESSURE: 3930000 8.04128 -74.9499 13.8784 19.7729 -37.8196 -103.911 -0.955171 -102.117 18.5859 PRESSAVG: 3930000 1.28219 7.45752 30.5422 7.45747 -16.8077 15.0952 30.542 15.0951 19.4042 GPRESSAVG: 3930000 2.22837 8.84575 29.476 3.72349 -17.8407 15.4162 29.3797 16.1633 18.9912 TIMING: 3930000 CPU: 11820.6, 0.00298815/step Wall: 11820.6, 0.00298815/step, 0.888144 hours remaining, 210.609375 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: 3930000 771.1263 1998.7825 1947.5176 110.7199 -205998.9744 17597.6190 0.0000 0.0000 34372.6788 -149200.5303 300.1852 -183573.2091 -149100.6560 300.0840 -32.0756 -3.7308 556743.7908 1.2929 1.1263 PRESSURE: 3930200 -149.336 45.8787 190.759 45.879 -168.08 -8.14639 190.758 -8.1475 -15.4724 GPRESSURE: 3930200 -117.715 72.668 117.497 40.3113 -119.042 -54.0245 203.861 -36.6628 3.1327 PRESSAVG: 3930200 40.7584 -23.6535 -9.99267 -23.6536 -51.8218 -18.7078 -9.99271 -18.7078 15.1908 GPRESSAVG: 3930200 38.3122 -24.3489 -9.93654 -20.4339 -50.1544 -19.3823 -7.69198 -18.649 16.3229 TIMING: 3930200 CPU: 11821.2, 0.00297466/step Wall: 11821.2, 0.00297466/step, 0.88397 hours remaining, 210.609375 MB of memory in use. ENERGY: 3930200 751.4566 2021.9398 1933.9709 115.8750 -206167.3160 17719.8271 0.0000 0.0000 34307.1343 -149317.1123 299.6127 -183624.2466 -149225.8103 298.7985 -110.9626 -77.8748 557988.3052 1.3758 1.4936 PRESSURE: 3930400 -32.4672 28.4669 -22.6999 28.4683 -79.7916 -141.113 -22.7013 -141.113 146.507 GPRESSURE: 3930400 29.0165 38.0922 -20.5629 -24.5269 -54.0774 -69.3838 -94.2617 -176.163 152.817 PRESSAVG: 3930400 23.2481 -37.8178 -43.5183 -37.8178 29.1982 -56.4151 -43.5184 -56.4151 -11.2715 GPRESSAVG: 3930400 23.7137 -37.2712 -43.4856 -37.3725 29.2647 -56.0412 -44.854 -56.0544 -11.7557 TIMING: 3930400 CPU: 11821.8, 0.00296925/step Wall: 11821.8, 0.00296925/step, 0.882197 hours remaining, 210.609375 MB of memory in use. ENERGY: 3930400 729.8894 2120.5614 1933.7619 107.2421 -206073.3749 17754.0385 0.0000 0.0000 34279.9874 -149147.8941 299.3757 -183427.8815 -149049.8774 299.2428 11.4160 42.5852 559012.0482 13.7249 13.7409 PRESSURE: 3930600 -193.457 -56.2208 -71.5088 -56.221 -82.6789 117.828 -71.5071 117.828 46.9331 GPRESSURE: 3930600 -187.564 -123.728 -51.0564 -105.306 -49.6547 230.794 -69.3621 68.5135 114.266 PRESSAVG: 3930600 36.7317 -45.3427 -25.517 -45.3426 17.3719 -33.1192 -25.5169 -33.1193 -44.6923 GPRESSAVG: 3930600 36.5322 -47.8716 -24.0217 -45.5171 18.4026 -30.0902 -26.5946 -34.3697 -44.8867 TIMING: 3930600 CPU: 11822.4, 0.00296511/step Wall: 11822.4, 0.00296511/step, 0.880804 hours remaining, 210.609375 MB of memory in use. ENERGY: 3930600 764.4241 2119.5202 1922.5529 101.6133 -206159.2714 17918.8430 0.0000 0.0000 34163.8789 -149168.4392 298.3617 -183332.3180 -149070.1635 298.8825 -76.4010 -40.9842 558913.6169 3.1371 3.3494 PRESSURE: 3930800 -234.271 6.31742 42.5235 6.31705 -249.162 -121.543 42.524 -121.543 -42.816 GPRESSURE: 3930800 -226.948 48.6927 11.2028 23.3129 -218.138 -72.3923 38.4415 -168.849 33.4378 PRESSAVG: 3930800 -6.00645 -18.2881 -23.0929 -18.2881 17.521 45.7349 -23.0929 45.7348 -4.55104 GPRESSAVG: 3930800 -5.65933 -18.3009 -24.0669 -18.1466 16.2292 43.0022 -22.1327 43.6057 -3.33479 TIMING: 3930800 CPU: 11823, 0.003011/step Wall: 11823, 0.003011/step, 0.894266 hours remaining, 210.753906 MB of memory in use. ENERGY: 3930800 756.1403 2078.5287 1947.6785 109.3633 -206125.3087 17763.5388 0.0000 0.0000 34338.4575 -149131.6016 299.8863 -183470.0590 -149036.3568 299.0842 -175.4165 -137.2162 558707.7929 2.3212 2.4117 PRESSURE: 3931000 -142.276 -60.2091 -175.299 -60.21 -19.3113 -50.3434 -175.298 -50.3438 -51.7068 GPRESSURE: 3931000 -62.1199 -85.1946 -117.225 -46.6032 -0.611056 -33.9774 -231.043 -28.3321 -50.0234 PRESSAVG: 3931000 22.5231 12.5799 -44.9148 12.5799 8.96052 13.9963 -44.9148 13.9962 -5.19068 GPRESSAVG: 3931000 23.0993 12.0102 -44.6773 12.9269 9.71852 11.1714 -44.9145 16.2615 -6.60922 TIMING: 3931000 CPU: 11823.6, 0.00302196/step Wall: 11823.6, 0.00302196/step, 0.897354 hours remaining, 210.753906 MB of memory in use. ENERGY: 3931000 754.8177 2015.3713 1952.1274 109.6940 -205950.6729 17726.5486 0.0000 0.0000 34212.3921 -149179.7219 298.7853 -183392.1139 -149082.0672 299.2922 -71.0980 -37.5848 558508.9587 8.7643 8.7362 PRESSURE: 3931200 -79.6939 131.343 -20.0471 131.343 26.0045 106.674 -20.0468 106.674 -28.2651 GPRESSURE: 3931200 1.76388 40.985 12.4011 168.704 26.7256 163.304 47.4695 49.3806 -6.12744 PRESSAVG: 3931200 10.6056 -32.7739 -38.9393 -32.7739 31.1639 56.9359 -38.9393 56.936 -28.6841 GPRESSAVG: 3931200 10.5809 -30.5655 -38.8523 -37.2709 30.8337 57.6762 -41.7783 58.6519 -28.3158 TIMING: 3931200 CPU: 11824.2, 0.00303026/step Wall: 11824.2, 0.00303026/step, 0.899651 hours remaining, 210.753906 MB of memory in use. ENERGY: 3931200 740.0494 2120.0497 1946.6080 110.2590 -205842.5216 17680.3561 0.0000 0.0000 34073.3266 -149171.8728 297.5708 -183245.1994 -149072.7592 298.6791 -27.3182 7.4540 557882.3672 4.3618 4.3663 PRESSURE: 3931400 -42.8766 3.12638 -92.3088 3.12592 -184.079 63.4248 -92.3073 63.425 64.0763 GPRESSURE: 3931400 22.74 -32.9376 -41.8376 -48.4491 -142.447 117.683 -113.115 48.3824 64.6996 PRESSAVG: 3931400 55.4667 -48.494 1.42574 -48.4939 -27.2673 43.5246 1.4258 43.5247 3.29461 GPRESSAVG: 3931400 54.4676 -48.9212 -0.462995 -46.4343 -27.5464 42.4638 4.49016 43.6984 4.96223 TIMING: 3931400 CPU: 11824.8, 0.00301265/step Wall: 11824.8, 0.00301265/step, 0.894254 hours remaining, 210.753906 MB of memory in use. ENERGY: 3931400 713.6046 2085.2126 1984.1953 113.5031 -206091.1613 17808.2767 0.0000 0.0000 34167.0311 -149219.3379 298.3892 -183386.3690 -149119.5388 299.3546 -54.2931 -18.3357 558583.2386 10.4980 10.6278 PRESSURE: 3931600 -244.926 -68.7936 24.0341 -68.7929 -381.287 46.4675 24.0326 46.4666 -76.4319 GPRESSURE: 3931600 -197.488 -10.231 40.1795 -116.919 -337.333 75.1389 -74.8847 64.1035 -69.9231 PRESSAVG: 3931600 13.6344 -13.6102 35.2862 -13.6102 -33.9175 0.775538 35.2862 0.775403 39.6592 GPRESSAVG: 3931600 14.9372 -13.0182 35.48 -12.7237 -33.3959 1.97995 34.8198 -0.143914 38.0522 TIMING: 3931600 CPU: 11825.4, 0.00298273/step Wall: 11825.4, 0.00298273/step, 0.885209 hours remaining, 210.753906 MB of memory in use. ENERGY: 3931600 731.7632 2073.7595 1955.5071 101.5816 -205996.5149 17491.7842 0.0000 0.0000 34337.5696 -149304.5497 299.8785 -183642.1194 -149202.7850 298.6073 -234.2152 -201.5815 558400.2694 6.4587 6.5312 PRESSURE: 3931800 31.0183 181.86 144.14 181.862 9.71658 -133.161 144.141 -133.161 126.143 GPRESSURE: 3931800 24.2173 120.545 113.849 212.448 56.5703 -102.827 127.55 -131.849 187.792 PRESSAVG: 3931800 -6.29925 12.9989 -0.364226 12.999 -23.1383 -18.0616 -0.36438 -18.0615 10.3062 GPRESSAVG: 3931800 -6.62208 11.5937 -0.458553 11.2193 -23.5782 -15.0046 -0.441685 -21.151 11.5565 TIMING: 3931800 CPU: 11826, 0.00300608/step Wall: 11826, 0.00300608/step, 0.891971 hours remaining, 210.753906 MB of memory in use. ENERGY: 3931800 743.9255 2089.6060 1940.9984 120.9951 -206322.3665 17785.8803 0.0000 0.0000 34401.8032 -149239.1580 300.4395 -183640.9612 -149142.1046 298.8555 55.6259 89.5267 557645.0815 -6.3771 -6.2146 PRESSURE: 3932000 -135.877 17.1619 -113.225 17.1623 90.4892 81.0456 -113.223 81.0468 -145.934 GPRESSURE: 3932000 -54.2376 -39.6623 -104.697 -99.7857 66.3725 62.9075 -83.2102 107.8 -96.0755 PRESSAVG: 3932000 75.1699 -25.5625 -38.7746 -25.5626 -8.84688 8.31626 -38.7745 8.31614 -7.01128 GPRESSAVG: 3932000 75.615 -25.5685 -38.695 -23.8244 -8.69327 5.05742 -37.998 9.17239 -7.78787 TIMING: 3932000 CPU: 11826.6, 0.00297921/step Wall: 11826.6, 0.00297921/step, 0.883831 hours remaining, 210.753906 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: 3932000 718.0349 2111.0513 1942.8146 113.5729 -205933.8152 17667.6089 0.0000 0.0000 34064.1094 -149316.6233 297.4903 -183380.7327 -149221.9743 298.7717 -63.7739 -27.9802 558219.5729 19.7706 19.7113 PRESSURE: 3932200 -56.9072 102.278 -31.8328 102.28 -121.198 -7.90252 -31.8329 -7.90601 90.2522 GPRESSURE: 3932200 -73.4342 165.103 -88.3745 10.4066 -69.4566 33.3311 44.5868 -16.7285 162.145 PRESSAVG: 3932200 57.3635 -33.7133 -60.9973 -33.7133 -3.59377 -20.6146 -60.9973 -20.6146 -71.5924 GPRESSAVG: 3932200 57.1916 -33.1792 -61.2944 -33.891 -4.16132 -19.418 -60.8146 -21.4449 -70.2188 TIMING: 3932200 CPU: 11827.2, 0.00301041/step Wall: 11827.2, 0.00301041/step, 0.892923 hours remaining, 210.753906 MB of memory in use. ENERGY: 3932200 748.0548 2059.3281 1930.3913 121.1358 -206014.4136 17822.4801 0.0000 0.0000 34164.3985 -149168.6249 298.3662 -183333.0234 -149076.7970 299.2779 -29.2843 6.4181 558440.3553 -5.9409 -5.7295 LDB: ============= START OF LOAD BALANCING ============== 11830.7 LDB: ============== END OF LOAD BALANCING =============== 11830.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11830.7 LDB: ============= START OF LOAD BALANCING ============== 11831 LDB: Largest compute 4773 load 0.025396 is 21.5% of average load 0.118253 LDB: Average compute 0.001712 is 1.4% of average load 0.118253 LDB: TIME 11831 LOAD: AVG 0.118253 MAX 0.214328 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.742 MB LDB: TIME 11831 LOAD: AVG 0.118253 MAX 0.214328 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.801 MB LDB: TIME 11831 LOAD: AVG 0.118253 MAX 0.214328 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.801 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11831 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11831 PRESSURE: 3932400 -34.7429 -217.262 -106.933 -217.261 49.9054 -26.9899 -106.932 -26.9891 185.981 GPRESSURE: 3932400 10.4446 -81.2233 -83.6453 -229.847 57.5066 -20.9936 -104.348 -7.89653 219.803 PRESSAVG: 3932400 27.4615 -14.6701 -27.4088 -14.67 -31.5732 42.5158 -27.4089 42.5159 17.922 GPRESSAVG: 3932400 27.0556 -15.7538 -26.6544 -14.7396 -30.2265 43.1285 -27.1095 43.4008 17.2845 TIMING: 3932400 CPU: 11827.8, 0.00306777/step Wall: 11827.8, 0.00306777/step, 0.909766 hours remaining, 209.972656 MB of memory in use. ENERGY: 3932400 774.4620 2132.4791 1946.2517 118.0260 -206482.3365 17944.8291 0.0000 0.0000 34249.9174 -149316.3711 299.1130 -183566.2886 -149224.0930 298.8803 67.0479 95.9182 557050.7556 4.6034 4.7045 PRESSURE: 3932600 57.6498 -21.3457 -116.376 -21.3452 -94.1336 75.3121 -116.377 75.3132 -153.38 GPRESSURE: 3932600 61.7699 -79.5887 -212.082 -65.2577 -84.0463 59.3416 -52.5938 42.3464 -68.0432 PRESSAVG: 3932600 45.2916 9.61074 -54.091 9.61066 17.1929 51.4419 -54.091 51.4419 -13.5443 GPRESSAVG: 3932600 45.8173 10.8785 -53.4342 9.43069 16.544 49.1828 -54.1273 51.5533 -13.0752 TIMING: 3932600 CPU: 11828.4, 0.00301197/step Wall: 11828.4, 0.00301197/step, 0.893048 hours remaining, 209.972656 MB of memory in use. ENERGY: 3932600 741.4656 2100.4470 1953.6086 115.5854 -205870.7728 17689.4759 0.0000 0.0000 34022.0131 -149248.1771 297.1227 -183270.1902 -149148.0146 298.7800 -63.2878 -30.1065 559110.1781 16.3134 16.4287 PRESSURE: 3932800 -180.5 46.2225 42.7883 46.2223 191.316 30.2417 42.7898 30.2413 -230.49 GPRESSURE: 3932800 -138.589 103.321 -64.098 27.7632 208.857 6.89693 37.37 103.181 -207.546 PRESSAVG: 3932800 -7.20515 -29.9381 -29.9932 -29.9382 11.6495 21.4704 -29.9932 21.4704 -46.7642 GPRESSAVG: 3932800 -7.43911 -30.6749 -31.6958 -30.1238 11.7484 24.9148 -29.8817 22.3676 -46.4386 TIMING: 3932800 CPU: 11829, 0.00300958/step Wall: 11829, 0.00300958/step, 0.892172 hours remaining, 209.972656 MB of memory in use. ENERGY: 3932800 751.7444 2102.7614 1951.4127 113.5191 -206341.9419 17825.9662 0.0000 0.0000 34265.3502 -149331.1879 299.2478 -183596.5380 -149233.1442 299.5338 -73.2247 -45.7592 558027.5166 -14.1066 -14.0431 PRESSURE: 3933000 -269.501 3.51025 -23.9896 3.50973 -26.8581 -109.897 -23.9892 -109.898 -79.2985 GPRESSURE: 3933000 -185.263 -32.9072 19.3205 -49.9372 -20.9934 -152.176 -57.789 -13.3429 -64.8449 PRESSAVG: 3933000 -38.9614 48.5929 -19.7783 48.5929 90.8418 -27.1412 -19.7784 -27.1413 -6.60091 GPRESSAVG: 3933000 -37.8693 50.1049 -18.9427 48.3837 90.5975 -28.7472 -18.6288 -27.3389 -7.44011 TIMING: 3933000 CPU: 11829.6, 0.00300311/step Wall: 11829.6, 0.00300311/step, 0.890089 hours remaining, 209.972656 MB of memory in use. ENERGY: 3933000 757.6534 2082.8115 1942.4270 120.7427 -205813.6567 17527.8882 0.0000 0.0000 34194.3850 -149187.7487 298.6281 -183382.1337 -149095.1595 299.0634 -125.2191 -90.3670 558165.8423 15.0932 15.0960 PRESSURE: 3933200 -197.64 -158.233 -301.639 -158.234 120.125 -63.3088 -301.639 -63.3093 -99.786 GPRESSURE: 3933200 -144.827 -161.249 -241.977 -86.2585 89.1228 -37.2647 -216.725 -18.74 -22.9764 PRESSAVG: 3933200 -42.005 -6.00702 7.32519 -6.00706 67.456 -6.48931 7.32527 -6.48927 -34.2355 GPRESSAVG: 3933200 -41.7549 -7.74284 8.729 -3.18239 67.0044 -6.04473 5.09475 -5.50545 -33.7434 TIMING: 3933200 CPU: 11830.2, 0.00300661/step Wall: 11830.2, 0.00300661/step, 0.89096 hours remaining, 209.972656 MB of memory in use. ENERGY: 3933200 716.5522 2097.3269 1944.9708 119.7506 -205961.8553 17573.9067 0.0000 0.0000 34264.1711 -149245.1769 299.2375 -183509.3480 -149145.4987 299.6185 -59.1004 -26.2267 556064.0010 -2.9281 -2.8313 PRESSURE: 3933400 217.69 202.412 75.0775 202.412 -90.9413 -289.032 75.0779 -289.032 179.18 GPRESSURE: 3933400 283.346 209.468 27.3235 191.656 -107.626 -244.342 149.901 -286.216 238.952 PRESSAVG: 3933400 24.7252 13.9708 -32.6874 13.9708 -7.04925 -29.5558 -32.6874 -29.5558 -57.8941 GPRESSAVG: 3933400 25.1757 13.608 -33.5074 12.6351 -6.27771 -30.9452 -33.3834 -29.9758 -58.7904 TIMING: 3933400 CPU: 11830.8, 0.00300118/step Wall: 11830.8, 0.00300118/step, 0.889182 hours remaining, 209.972656 MB of memory in use. ENERGY: 3933400 734.5415 2098.5891 1954.6623 114.2280 -206134.3413 17911.3680 0.0000 0.0000 34069.5412 -149251.4114 297.5378 -183320.9525 -149160.5124 299.4831 101.9763 138.2243 556284.2015 -13.4060 -13.2975 PRESSURE: 3933600 -316.097 5.83369 -29.9633 5.83277 -41.62 -77.7277 -29.9618 -77.7279 253.725 GPRESSURE: 3933600 -181.161 -15.5142 -38.3903 42.5245 -34.5441 -71.2301 -94.7707 -47.3119 211.457 PRESSAVG: 3933600 47.9227 -15.7819 -51.9925 -15.7819 -61.8472 -40.9703 -51.9923 -40.9704 -2.87473 GPRESSAVG: 3933600 47.8085 -14.6324 -53.1566 -17.6596 -60.7884 -39.9417 -50.0114 -41.8049 -3.95858 TIMING: 3933600 CPU: 11831.4, 0.00300917/step Wall: 11831.4, 0.00300917/step, 0.891382 hours remaining, 209.972656 MB of memory in use. ENERGY: 3933600 712.5932 2111.1699 1921.6178 107.0800 -206253.4897 17881.7826 0.0000 0.0000 34369.7466 -149149.4996 300.1595 -183519.2462 -149048.6951 299.4391 -34.6642 -1.4163 556203.7831 -5.5997 -5.6462 PRESSURE: 3933800 -67.673 118.421 -24.8767 118.422 386.93 -9.01896 -24.8771 -9.01923 -72.9226 GPRESSURE: 3933800 -36.1651 112.334 7.48897 131.319 365.69 -15.2911 -44.8697 -17.3966 -4.26693 PRESSAVG: 3933800 51.6645 5.60671 -3.87303 5.60665 1.35011 27.0622 -3.87304 27.0623 -47.5163 GPRESSAVG: 3933800 51.2138 5.93278 -3.2885 6.36325 -0.0430967 25.6534 -4.36375 27.8556 -45.3673 TIMING: 3933800 CPU: 11832, 0.00298632/step Wall: 11832, 0.00298632/step, 0.884448 hours remaining, 209.972656 MB of memory in use. ENERGY: 3933800 767.2409 2173.2429 1941.6179 116.9059 -206119.7046 17796.4881 0.0000 0.0000 34309.7126 -149014.4962 299.6353 -183324.2089 -148920.7867 300.0922 82.1114 108.4192 556591.4426 1.8328 1.9345 PRESSURE: 3934000 106.979 196.108 69.8782 196.107 -153.425 -134.374 69.8777 -134.373 -73.5909 GPRESSURE: 3934000 76.5076 142.349 131.204 188.68 -90.0524 -162.715 35.2171 -138.614 -14.2768 PRESSAVG: 3934000 39.0816 40.4288 14.7143 40.4287 -110.841 -13.2848 14.7143 -13.2848 18.8218 GPRESSAVG: 3934000 39.3851 39.5815 17.522 41.8711 -109.316 -11.7376 13.1404 -13.9045 17.4019 TIMING: 3934000 CPU: 11832.6, 0.00299098/step Wall: 11832.6, 0.00299098/step, 0.885664 hours remaining, 209.972656 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: 3934000 726.4685 2119.3838 1911.8555 111.2322 -206273.8275 17804.4581 0.0000 0.0000 34285.2408 -149315.1886 299.4215 -183600.4294 -149213.6487 299.9541 -40.0121 -9.2739 556876.0112 -17.6460 -17.5095 PRESSURE: 3934200 164.342 134.639 -14.6694 134.639 50.1101 248.386 -14.6699 248.385 -60.2392 GPRESSURE: 3934200 192.429 165.451 16.1702 99.6027 60.1966 176.951 -110.525 214.002 4.76565 PRESSAVG: 3934200 30.2021 19.4515 1.94452 19.4514 -37.737 25.2976 1.94449 25.2976 19.7077 GPRESSAVG: 3934200 30.897 21.1972 0.162495 17.3977 -37.174 26.8582 2.86761 23.2065 18.4163 TIMING: 3934200 CPU: 11833.2, 0.0029618/step Wall: 11833.2, 0.0029618/step, 0.876857 hours remaining, 209.972656 MB of memory in use. ENERGY: 3934200 734.7088 2082.9988 1954.0310 111.0729 -206332.7208 17934.1620 0.0000 0.0000 34191.5046 -149324.2426 298.6029 -183515.7471 -149224.1908 299.9230 51.4042 85.7971 557995.0651 4.0576 4.0464 PRESSURE: 3934400 393.859 -2.21799 80.3273 -2.21834 172.999 57.7482 80.3273 57.7474 58.0048 GPRESSURE: 3934400 415.39 -30.2598 126.818 16.6264 193.385 25.8221 84.8544 89.3557 108.808 PRESSAVG: 3934400 12.3909 44.615 57.297 44.615 6.20638 -28.382 57.297 -28.3821 9.25909 GPRESSAVG: 3934400 12.6244 42.449 56.0351 45.4495 3.01125 -28.4811 55.7121 -25.3855 12.1089 TIMING: 3934400 CPU: 11833.8, 0.00297083/step Wall: 11833.8, 0.00297083/step, 0.879367 hours remaining, 209.972656 MB of memory in use. ENERGY: 3934400 748.1776 2103.6316 1941.0340 127.7990 -206491.7586 18043.5144 0.0000 0.0000 34077.9199 -149449.6820 297.6110 -183527.6019 -149356.7751 299.0395 208.2876 239.1942 556141.8532 9.2854 9.2482 PRESSURE: 3934600 -55.5433 -206.581 -62.9454 -206.58 -252.4 175.349 -62.9459 175.349 -15.1583 GPRESSURE: 3934600 -61.6438 -266.538 -70.3794 -127.34 -189.859 195.878 -91.0131 149.933 23.9912 PRESSAVG: 3934600 14.2104 9.59449 10.1884 9.59457 48.6237 48.3734 10.1884 48.3734 -13.2963 GPRESSAVG: 3934600 14.6974 12.1456 9.85946 9.04581 49.1719 47.547 12.5886 47.0723 -14.0175 TIMING: 3934600 CPU: 11834.4, 0.00298622/step Wall: 11834.4, 0.00298622/step, 0.883754 hours remaining, 209.972656 MB of memory in use. ENERGY: 3934600 726.5267 2077.4369 1947.8234 101.7629 -205863.4417 17505.2075 0.0000 0.0000 34273.7974 -149230.8869 299.3216 -183504.6842 -149131.3993 299.2821 -107.7005 -75.8370 557479.7146 16.5126 16.6173 PRESSURE: 3934800 146.55 -124.475 -40.4994 -124.474 -228.985 118.921 -40.4987 118.921 -122.418 GPRESSURE: 3934800 164.097 -155.174 -103.352 -115.915 -207.915 123.673 -0.981135 68.146 -56.1289 PRESSAVG: 3934800 14.3767 2.29473 14.2886 2.29472 9.17586 -32.08 14.2886 -32.08 -8.4262 GPRESSAVG: 3934800 13.0327 1.84883 18.2019 1.16148 9.96301 -33.0259 12.8529 -30.841 -7.92323 TIMING: 3934800 CPU: 11835, 0.00296415/step Wall: 11835, 0.00296415/step, 0.87706 hours remaining, 209.972656 MB of memory in use. ENERGY: 3934800 785.2954 2089.3683 1912.4726 117.0733 -206381.4422 17768.2297 0.0000 0.0000 34377.7429 -149331.2601 300.2294 -183709.0029 -149231.0668 299.3547 -68.2842 -33.3156 556668.2724 5.0421 5.0241 PRESSURE: 3935000 -162.452 -19.413 45.8393 -19.4134 297.148 42.5674 45.8397 42.5686 125.824 GPRESSURE: 3935000 -71.6076 50.4383 -64.5344 15.5012 263.183 72.9044 113.034 90.9957 173.744 PRESSAVG: 3935000 26.0402 -37.7927 10.7549 -37.7927 -29.786 0.611221 10.7549 0.611301 -21.1351 GPRESSAVG: 3935000 27.7403 -39.6747 6.42684 -36.3132 -30.7444 0.409702 11.8582 0.210445 -21.771 TIMING: 3935000 CPU: 11835.6, 0.00297133/step Wall: 11835.6, 0.00297133/step, 0.879017 hours remaining, 209.972656 MB of memory in use. ENERGY: 3935000 792.6200 2097.4407 1934.1548 111.8748 -206623.0586 17972.6060 0.0000 0.0000 34407.0444 -149307.3179 300.4853 -183714.3623 -149209.3950 299.2545 86.8400 121.7733 556660.1269 -8.2937 -8.2584 PRESSURE: 3935200 -107.055 7.15045 -14.6036 7.14908 -135.666 123.565 -14.6044 123.565 -216.424 GPRESSURE: 3935200 -123.365 -103.502 8.06424 34.4293 -76.7366 195.909 -80.2325 80.4184 -159.292 PRESSAVG: 3935200 -73.0017 -9.787 -55.081 -9.78706 12.8991 30.7486 -55.081 30.7487 60.8771 GPRESSAVG: 3935200 -74.9879 -8.26016 -51.4266 -9.10753 14.2217 32.0699 -55.5596 31.8436 61.1615 TIMING: 3935200 CPU: 11836.2, 0.00298422/step Wall: 11836.2, 0.00298422/step, 0.882667 hours remaining, 209.972656 MB of memory in use. ENERGY: 3935200 748.2610 2062.6168 1923.8190 111.8014 -206118.8657 17667.2609 0.0000 0.0000 34211.2058 -149393.9008 298.7750 -183605.1066 -149295.1210 299.2817 -153.0484 -119.7977 557206.9201 0.2582 0.1318 PRESSURE: 3935400 -171.311 -11.6399 41.5332 -11.64 -39.1076 -66.4573 41.5325 -66.4565 -109.887 GPRESSURE: 3935400 -99.2696 37.8862 -6.83675 -6.7846 -67.7843 -46.6902 42.0632 -107.346 -39.6083 PRESSAVG: 3935400 -46.3034 17.4145 14.446 17.4145 -22.818 -26.6007 14.446 -26.6006 72.1153 GPRESSAVG: 3935400 -46.0954 16.4191 12.3763 16.5064 -22.6772 -27.8741 14.526 -27.5784 72.1862 TIMING: 3935400 CPU: 11836.8, 0.00301974/step Wall: 11836.8, 0.00301974/step, 0.893004 hours remaining, 209.972656 MB of memory in use. ENERGY: 3935400 757.6538 2020.8142 1908.6120 108.7287 -206161.3415 17673.8257 0.0000 0.0000 34247.7921 -149443.9150 299.0945 -183691.7071 -149347.0090 298.5869 -106.7686 -68.8874 556889.3044 0.9980 1.1379 PRESSURE: 3935600 -126.512 15.3448 -13.1695 15.3439 122.813 -101.813 -13.1697 -101.812 -297.443 GPRESSURE: 3935600 -112.981 33.4596 -12.5605 23.3075 129.423 -106.956 -73.9519 -152.875 -197.207 PRESSAVG: 3935600 -33.9221 -43.0767 39.7056 -43.0767 22.9953 1.65712 39.7055 1.65706 33.4018 GPRESSAVG: 3935600 -33.382 -43.1752 38.8233 -41.4395 23.1924 2.80575 42.1867 2.07143 32.8245 TIMING: 3935600 CPU: 11837.4, 0.00300145/step Wall: 11837.4, 0.00300145/step, 0.887429 hours remaining, 210.031250 MB of memory in use. ENERGY: 3935600 711.0605 2038.6359 1914.7047 112.8030 -206140.7526 17559.1907 0.0000 0.0000 34292.8160 -149511.5418 299.4877 -183804.3578 -149414.2325 298.6324 -100.3809 -60.2550 556296.0652 7.4917 7.5450 PRESSURE: 3935800 -42.1048 32.3334 152.519 32.3323 -122.087 5.90013 152.519 5.89961 -57.5163 GPRESSURE: 3935800 26.6369 -35.7648 136.21 -44.5214 -105.615 53.0539 60.1657 -6.36696 -41.4621 PRESSAVG: 3935800 23.5864 -24.0793 15.8923 -24.0792 24.1549 -14.6409 15.8922 -14.6409 -62.452 GPRESSAVG: 3935800 23.9925 -24.0495 16.572 -24.4899 22.7046 -14.4413 13.4251 -13.9119 -61.9508 TIMING: 3935800 CPU: 11838, 0.00298925/step Wall: 11838, 0.00298925/step, 0.883654 hours remaining, 210.031250 MB of memory in use. ENERGY: 3935800 798.9204 2118.0328 1933.6528 98.2613 -206689.3198 17937.0016 0.0000 0.0000 34352.2695 -149451.1814 300.0069 -183803.4509 -149357.3315 298.6671 -73.9028 -40.1468 555959.6071 -4.9036 -5.0846 PRESSURE: 3936000 55.8267 -36.1321 179.55 -36.1317 31.1298 -26.8848 179.55 -26.8857 163.199 GPRESSURE: 3936000 113.067 -33.5063 110.027 -68.5961 56.658 -115.171 100.187 -7.86625 173.27 PRESSAVG: 3936000 111.313 -39.2613 5.8185 -39.2613 -19.8496 -10.9857 5.81861 -10.9857 -38.3369 GPRESSAVG: 3936000 110.685 -38.3382 5.35677 -41.7926 -19.7592 -13.505 4.89763 -10.9015 -37.6361 TIMING: 3936000 CPU: 11838.6, 0.00298071/step Wall: 11838.6, 0.00298071/step, 0.880966 hours remaining, 210.031250 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: 3936000 724.8322 2069.2312 1930.3820 111.5207 -206333.9975 17955.2547 0.0000 0.0000 34141.5978 -149401.1789 298.1671 -183542.7767 -149308.4982 298.9317 83.3853 114.3315 557129.1623 17.7088 17.7631 PRESSURE: 3936200 -108.78 17.4149 62.9986 17.4158 -364.726 125.434 62.9984 125.433 51.5904 GPRESSURE: 3936200 -65.0382 -33.5549 49.5886 -13.8023 -330.013 73.1468 84.0155 156.762 70.2015 PRESSAVG: 3936200 54.3027 -1.40557 -49.5151 -1.40561 -78.8746 39.05 -49.5152 39.0499 20.3361 GPRESSAVG: 3936200 54.1914 -2.05101 -47.5251 -0.615447 -78.0444 40.2844 -48.9753 39.1293 19.5258 TIMING: 3936200 CPU: 11839.2, 0.00295656/step Wall: 11839.2, 0.00295656/step, 0.873665 hours remaining, 210.031250 MB of memory in use. ENERGY: 3936200 769.4318 2053.7218 1959.7853 114.8795 -206204.6371 17693.7438 0.0000 0.0000 34209.7684 -149403.3066 298.7624 -183613.0749 -149304.3091 298.8010 -140.6388 -108.2831 558112.2988 -1.4119 -1.4424 LDB: ============= START OF LOAD BALANCING ============== 11842.7 LDB: ============== END OF LOAD BALANCING =============== 11842.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11842.7 LDB: ============= START OF LOAD BALANCING ============== 11843 LDB: Largest compute 4802 load 0.026344 is 22.3% of average load 0.118266 LDB: Average compute 0.001713 is 1.4% of average load 0.118266 LDB: TIME 11843 LOAD: AVG 0.118266 MAX 0.215 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.395 MB LDB: TIME 11843 LOAD: AVG 0.118266 MAX 0.215 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.602 MB LDB: TIME 11843 LOAD: AVG 0.118266 MAX 0.215 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.602 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11843 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11843 PRESSURE: 3936400 160.737 14.8597 -150.567 14.8612 -6.44915 93.0321 -150.569 93.0328 172.848 GPRESSURE: 3936400 205.56 19.0943 -177.925 -12.1589 37.9587 13.5557 -96.0474 82.9753 177.836 PRESSAVG: 3936400 51.1583 -5.31505 15.945 -5.31504 -85.8632 -22.6506 15.9449 -22.6507 9.28169 GPRESSAVG: 3936400 51.5076 -4.12739 13.4211 -5.1215 -86.0564 -20.9658 16.3126 -22.5107 9.89814 TIMING: 3936400 CPU: 11839.8, 0.00303796/step Wall: 11839.8, 0.00303796/step, 0.897547 hours remaining, 211.261719 MB of memory in use. ENERGY: 3936400 691.1579 2114.5293 1957.9460 106.8991 -206323.7007 18013.8716 0.0000 0.0000 34045.9447 -149393.3522 297.3317 -183439.2969 -149304.7763 298.6961 109.0451 140.4515 557872.7972 -8.4744 -8.2169 PRESSURE: 3936600 -207.896 -143.928 -49.0419 -143.928 -199.724 -29.3502 -49.0412 -29.3513 132.005 GPRESSURE: 3936600 -227.772 -129.716 -89.6656 -124.777 -121.004 -7.51204 61.0762 44.7211 162.172 PRESSAVG: 3936600 20.3893 32.79 -12.363 32.7901 -86.9714 -14.434 -12.3631 -14.434 120.249 GPRESSAVG: 3936600 20.4756 29.8817 -11.6269 33.6874 -85.9385 -14.3585 -12.2223 -14.3762 119.145 TIMING: 3936600 CPU: 11840.4, 0.00298969/step Wall: 11840.4, 0.00298969/step, 0.883121 hours remaining, 211.261719 MB of memory in use. ENERGY: 3936600 756.5693 2085.2089 1944.5105 107.5409 -206331.2891 17844.4562 0.0000 0.0000 34141.9058 -149451.0974 298.1698 -183593.0032 -149355.6834 298.1648 -91.8713 -62.2014 557887.5768 17.8891 17.8939 PRESSURE: 3936800 -327.913 44.0485 -10.4492 44.0474 -207.091 -69.1161 -10.4495 -69.1177 100.724 GPRESSURE: 3936800 -294.644 88.9009 -24.0395 52.3256 -169.636 -130.591 -13.1617 -49.3534 134.858 PRESSAVG: 3936800 -37.5237 -44.3698 -21.463 -44.3698 5.63942 -38.6686 -21.463 -38.6686 69.2557 GPRESSAVG: 3936800 -38.3828 -41.9914 -23.4333 -46.1506 4.66713 -39.6598 -22.9843 -39.3158 71.0246 TIMING: 3936800 CPU: 11841, 0.00300341/step Wall: 11841, 0.00300341/step, 0.887007 hours remaining, 211.261719 MB of memory in use. ENERGY: 3936800 695.8091 2106.2277 1948.8303 106.8614 -205983.5753 17494.1673 0.0000 0.0000 34311.5779 -149320.1015 299.6515 -183631.6795 -149222.6043 299.1912 -144.7597 -109.8072 557413.1789 12.4572 12.4363 PRESSURE: 3937000 -43.562 35.9654 -64.7407 35.964 26.8548 -15.725 -64.7411 -15.7243 -223.676 GPRESSURE: 3937000 -39.607 11.952 -40.9273 18.4609 18.9263 -14.9957 -42.4339 -15.0803 -125.371 PRESSAVG: 3937000 -48.6844 -1.09321 -49.0582 -1.09312 56.8305 29.8893 -49.0581 29.8893 -3.11153 GPRESSAVG: 3937000 -48.307 -2.28726 -47.0254 0.463146 57.4764 29.3214 -47.6094 28.878 -4.81409 TIMING: 3937000 CPU: 11841.6, 0.00300331/step Wall: 11841.6, 0.00300331/step, 0.886812 hours remaining, 211.261719 MB of memory in use. ENERGY: 3937000 751.0396 2130.9809 1940.4748 113.0006 -205963.5223 17611.3722 0.0000 0.0000 34260.8843 -149155.7699 299.2088 -183416.6542 -149061.3526 299.4751 -80.1276 -48.6840 557472.6299 1.6782 1.4517 PRESSURE: 3937200 -145.452 -120.548 -70.5165 -120.548 15.5115 110.858 -70.517 110.859 7.8374 GPRESSURE: 3937200 -133.248 -153.915 -167.715 -34.7945 70.5805 195.176 -56.278 23.8694 53.4857 PRESSAVG: 3937200 31.4119 1.8569 -46.3068 1.85688 35.7639 9.42392 -46.3069 9.42396 -28.1518 GPRESSAVG: 3937200 30.6262 3.10129 -46.5559 1.42236 36.7691 9.77295 -48.5512 10.8956 -28.2375 TIMING: 3937200 CPU: 11842.2, 0.00302046/step Wall: 11842.2, 0.00302046/step, 0.891707 hours remaining, 211.261719 MB of memory in use. ENERGY: 3937200 786.9010 2089.9650 1929.6665 117.7436 -206396.4176 17873.0334 0.0000 0.0000 34414.4444 -149184.6639 300.5499 -183599.1083 -149094.1007 299.5590 -40.7010 -3.0607 556624.1885 13.0080 13.0526 PRESSURE: 3937400 -121.072 3.87435 180.766 3.87349 -70.7432 -79.0601 180.766 -79.0601 -160.883 GPRESSURE: 3937400 -75.076 -35.2234 212.344 2.07955 -52.4443 -54.8171 154.247 -83.7613 -124.251 PRESSAVG: 3937400 80.0021 -9.63135 47.9052 -9.6313 -44.6318 18.175 47.9052 18.1748 -28.9499 GPRESSAVG: 3937400 80.1459 -8.76668 47.9482 -9.64542 -46.1047 18.1508 48.8919 16.5304 -27.8119 TIMING: 3937400 CPU: 11842.8, 0.00299346/step Wall: 11842.8, 0.00299346/step, 0.883569 hours remaining, 211.261719 MB of memory in use. ENERGY: 3937400 782.6837 2074.0276 1934.6482 113.4963 -206147.0742 17729.1230 0.0000 0.0000 34222.6034 -149290.4919 298.8745 -183513.0953 -149196.9073 299.1595 -117.5661 -83.9236 556445.7387 2.1401 2.0764 PRESSURE: 3937600 -58.5953 43.4841 126.289 43.4848 105.413 58.4507 126.289 58.4498 -53.169 GPRESSURE: 3937600 42.4941 44.3604 174.484 34.0007 67.7724 54.5456 129.975 26.6418 -19.7997 PRESSAVG: 3937600 54.9581 28.9718 -9.50572 28.9718 -10.2642 39.998 -9.50568 39.9981 -47.5176 GPRESSAVG: 3937600 54.1438 27.5344 -9.05973 29.3817 -11.4247 38.8722 -9.06171 38.6121 -45.3538 TIMING: 3937600 CPU: 11843.4, 0.00302169/step Wall: 11843.4, 0.00302169/step, 0.891735 hours remaining, 211.261719 MB of memory in use. ENERGY: 3937600 741.7355 2031.5713 1960.1221 119.1220 -206175.4684 17762.0571 0.0000 0.0000 34159.3333 -149401.5270 298.3220 -183560.8603 -149312.7612 298.9568 -2.1172 30.1556 555551.5335 -0.9412 -0.8782 PRESSURE: 3937800 55.3088 -34.4751 87.5576 -34.475 49.9375 51.2252 87.5567 51.2246 193.14 GPRESSURE: 3937800 51.6848 -54.2723 47.4411 -39.9187 95.0158 -66.1343 87.1027 51.3228 249.717 PRESSAVG: 3937800 -32.9552 14.294 39.1015 14.2939 17.7588 87.5814 39.1016 87.5815 0.206953 GPRESSAVG: 3937800 -32.1002 13.6004 36.9847 14.0607 18.9631 85.3791 39.1661 90.0664 -1.94803 TIMING: 3937800 CPU: 11844, 0.0030244/step Wall: 11844, 0.0030244/step, 0.892367 hours remaining, 211.464844 MB of memory in use. ENERGY: 3937800 743.7320 2069.5045 1933.8116 117.6035 -206094.7788 17717.9498 0.0000 0.0000 34145.4415 -149366.7360 298.2006 -183512.1774 -149258.8907 298.5245 99.4620 132.1393 556237.7773 -4.9965 -5.0284 PRESSURE: 3938000 -177.306 -81.7268 57.9445 -81.7265 -53.0577 7.80128 57.9447 7.80065 8.52002 GPRESSURE: 3938000 -156.179 -61.8304 -1.14444 -103.884 7.06732 34.6332 81.1531 -10.2605 34.5197 PRESSAVG: 3938000 34.3028 12.475 19.0172 12.475 -3.04976 8.55087 19.0173 8.55088 13.0267 GPRESSAVG: 3938000 34.188 14.0437 19.2942 11.3561 -4.12297 10.3129 19.2725 9.93203 14.2799 TIMING: 3938000 CPU: 11844.6, 0.00299458/step Wall: 11844.6, 0.00299458/step, 0.883402 hours remaining, 211.464844 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: 3938000 763.2822 2140.0913 1914.9926 106.5719 -206464.8636 17779.3508 0.0000 0.0000 34387.9160 -149372.6588 300.3182 -183760.5748 -149267.8622 298.8804 -73.9478 -38.1972 556459.9017 14.7599 14.7816 PRESSURE: 3938200 -186.863 -182.485 -77.6619 -182.485 -15.7542 55.3153 -77.6611 55.316 172.112 GPRESSURE: 3938200 -113.739 -224.14 -50.0014 -142.505 -13.3363 -14.6126 -94.8689 138.884 206.057 PRESSAVG: 3938200 -17.315 -28.6828 23.7589 -28.6828 31.998 -30.4105 23.7589 -30.4105 -16.9792 GPRESSAVG: 3938200 -17.2189 -29.0179 26.1883 -27.7123 33.316 -29.8256 22.4849 -30.626 -17.6251 TIMING: 3938200 CPU: 11845.2, 0.00300727/step Wall: 11845.2, 0.00300727/step, 0.886977 hours remaining, 211.464844 MB of memory in use. ENERGY: 3938200 759.6272 2066.3707 1943.7920 115.6945 -206031.1625 17703.7699 0.0000 0.0000 34105.2036 -149336.7047 297.8492 -183441.9083 -149236.9998 298.7701 -10.1684 26.3272 555963.3773 -0.7654 -0.5093 PRESSURE: 3938400 -129.027 28.7524 -12.7515 28.7509 -149.238 -76.7336 -12.7519 -76.7332 -92.8783 GPRESSURE: 3938400 -101.885 -96.1999 -24.988 99.9126 -125.309 -67.1422 -32.7006 -113.969 -35.0487 PRESSAVG: 3938400 17.6788 26.5291 -17.009 26.529 -54.5852 -26.4242 -17.009 -26.4242 10.4062 GPRESSAVG: 3938400 17.2731 26.5582 -18.6834 25.3546 -54.7222 -25.268 -15.4905 -26.7812 10.8655 TIMING: 3938400 CPU: 11845.8, 0.00297154/step Wall: 11845.8, 0.00297154/step, 0.876275 hours remaining, 211.464844 MB of memory in use. ENERGY: 3938400 762.1153 2076.7392 1949.7872 118.0439 -206448.5980 17854.8128 0.0000 0.0000 34381.4520 -149305.6477 300.2618 -183687.0997 -149207.6327 299.0892 -123.7144 -87.4145 557844.3981 -8.8334 -8.8612 PRESSURE: 3938600 -126.741 -75.4711 -240.823 -75.4707 45.6644 -172.663 -240.823 -172.663 -42.5656 GPRESSURE: 3938600 -117.36 -12.2035 -229.644 -148.585 86.9265 -203.351 -250.722 -29.7576 5.62299 PRESSAVG: 3938600 -39.2331 -28.859 13.014 -28.859 71.759 -6.77496 13.014 -6.77487 -15.999 GPRESSAVG: 3938600 -39.5182 -28.7672 14.2134 -30.3828 72.6439 -8.14482 12.0339 -8.46525 -16.1821 TIMING: 3938600 CPU: 11846.4, 0.0029741/step Wall: 11846.4, 0.0029741/step, 0.876865 hours remaining, 211.464844 MB of memory in use. ENERGY: 3938600 773.2014 2088.1841 1914.6573 112.8628 -206214.2049 17775.3139 0.0000 0.0000 34232.9887 -149316.9967 298.9652 -183549.9854 -149227.2919 299.2140 -41.2140 -8.2703 557468.2241 5.5090 5.6479 PRESSURE: 3938800 -214.654 -15.1201 -98.982 -15.1202 -122.554 129.829 -98.9815 129.829 -273.387 GPRESSURE: 3938800 -209.122 2.60852 -65.0274 -19.1542 -94.781 149.755 -50.3823 121.012 -209.117 PRESSAVG: 3938800 47.6019 1.89405 -20.8148 1.89404 39.5253 -5.49088 -20.8147 -5.49078 -48.7989 GPRESSAVG: 3938800 47.9441 1.02813 -21.508 2.0818 39.9766 -3.55206 -20.5971 -5.33498 -49.7494 TIMING: 3938800 CPU: 11847, 0.00297952/step Wall: 11847, 0.00297952/step, 0.878295 hours remaining, 211.464844 MB of memory in use. ENERGY: 3938800 759.2114 2074.2673 1924.1978 112.6197 -205990.2451 17394.0826 0.0000 0.0000 34337.4363 -149388.4302 299.8774 -183725.8665 -149286.4230 299.8345 -203.5318 -171.0068 557900.3121 12.7761 12.7238 PRESSURE: 3939000 -64.4459 -133.297 106.05 -133.298 -197.291 -70.9089 106.05 -70.9086 62.3599 GPRESSURE: 3939000 -49.8354 -109.453 160.566 -175.662 -102.24 -28.1068 36.7392 -57.5283 43.4696 PRESSAVG: 3939000 -32.3088 30.6524 -50.5164 30.6524 2.6166 0.694189 -50.5163 0.694217 63.9576 GPRESSAVG: 3939000 -32.7648 30.6658 -49.1403 31.7972 3.048 1.55228 -53.5946 -0.242024 63.7892 TIMING: 3939000 CPU: 11847.6, 0.0029712/step Wall: 11847.6, 0.0029712/step, 0.875678 hours remaining, 211.464844 MB of memory in use. ENERGY: 3939000 764.5369 2068.4567 1911.3938 112.8435 -206485.0815 17921.6931 0.0000 0.0000 34164.9444 -149541.2132 298.3710 -183706.1576 -149443.4061 298.5421 -66.4588 -36.2018 557862.9656 11.4218 11.3575 PRESSURE: 3939200 -103.411 57.4694 -334.253 57.469 42.7259 -22.7063 -334.253 -22.7073 -106.652 GPRESSURE: 3939200 -71.2343 86.8699 -339.587 19.9894 74.4937 -85.0355 -328.062 42.9312 -64.8237 PRESSAVG: 3939200 19.2369 -23.8995 -63.5929 -23.8995 -91.3891 -26.8215 -63.5929 -26.8216 46.9586 GPRESSAVG: 3939200 19.3188 -24.3643 -66.6894 -25.1285 -91.6881 -29.7054 -58.0357 -25.0285 47.8327 TIMING: 3939200 CPU: 11848.2, 0.00296582/step Wall: 11848.2, 0.00296582/step, 0.873927 hours remaining, 211.464844 MB of memory in use. ENERGY: 3939200 720.0971 2101.1498 1942.7270 106.3680 -206303.0538 17710.7719 0.0000 0.0000 34234.1089 -149487.8312 298.9750 -183721.9401 -149394.7934 298.1721 -55.7790 -20.5214 556130.3399 -8.3979 -8.1789 PRESSURE: 3939400 -101.502 -169.208 -11.0787 -169.208 -172.179 65.9359 -11.0797 65.9381 98.4881 GPRESSURE: 3939400 -95.9641 -246.273 -50.9452 -152.513 -55.6468 127.287 -36.6219 85.9921 79.454 PRESSAVG: 3939400 91.0921 -59.405 2.05152 -59.405 -80.1487 -11.611 2.05155 -11.6108 -44.6747 GPRESSAVG: 3939400 91.6198 -57.6005 4.17711 -59.0237 -80.2355 -10.6808 -0.389201 -12.8046 -45.1347 TIMING: 3939400 CPU: 11848.8, 0.00302971/step Wall: 11848.8, 0.00302971/step, 0.892587 hours remaining, 211.464844 MB of memory in use. ENERGY: 3939400 747.3657 2146.9278 1920.5933 113.1368 -206447.1390 17798.1314 0.0000 0.0000 34276.9404 -149444.0436 299.3490 -183720.9840 -149352.2260 299.2469 -58.3977 -24.0523 556948.6823 -11.2438 -11.2501 PRESSURE: 3939600 141.339 -34.1684 18.5403 -34.1696 5.48968 61.7169 18.5407 61.7173 96.7581 GPRESSURE: 3939600 163.553 -87.496 74.8223 -41.3076 48.485 107.315 -42.1398 30.8456 134.148 PRESSAVG: 3939600 36.278 -51.6333 -66.3434 -51.6333 -42.6901 -13.4849 -66.3435 -13.485 4.89087 GPRESSAVG: 3939600 36.7345 -52.368 -66.186 -52.8792 -41.6228 -12.4105 -66.2272 -13.3169 3.07932 TIMING: 3939600 CPU: 11849.4, 0.00297992/step Wall: 11849.4, 0.00297992/step, 0.877752 hours remaining, 211.464844 MB of memory in use. ENERGY: 3939600 703.0843 2084.7261 1939.9017 112.2660 -206614.4027 18076.0429 0.0000 0.0000 34056.4504 -149641.9313 297.4235 -183698.3817 -149546.2947 298.2736 81.1956 115.3953 557020.7997 -0.5071 -0.6030 PRESSURE: 3939800 -291.575 167.72 106.324 167.722 -275.095 -74.6099 106.325 -74.6116 -164.068 GPRESSURE: 3939800 -312.254 107.697 20.52 143.182 -159.054 -102.234 152.67 -39.3444 -156.069 PRESSAVG: 3939800 25.4662 -9.36269 -44.3185 -9.36274 -42.8821 -8.73739 -44.3186 -8.73742 3.65607 GPRESSAVG: 3939800 25.9471 -10.9439 -44.1217 -6.416 -44.0165 -8.55379 -45.3345 -6.62129 3.90617 TIMING: 3939800 CPU: 11850, 0.00299599/step Wall: 11850, 0.00299599/step, 0.882319 hours remaining, 211.464844 MB of memory in use. ENERGY: 3939800 749.2706 2056.4153 1932.4388 115.5024 -206237.5812 17649.7909 0.0000 0.0000 34290.4835 -149443.6798 299.4673 -183734.1633 -149355.1090 298.2448 -243.5795 -209.1256 557683.1682 -4.5866 -4.7211 PRESSURE: 3940000 243.698 269.318 0.0313906 269.319 164.385 -53.689 0.0308761 -53.6887 -80.5972 GPRESSURE: 3940000 267.171 254.751 -30.6426 213.019 157.169 -109.275 77.6591 9.01036 18.3545 PRESSAVG: 3940000 -66.9936 -23.8591 13.7323 -23.859 56.5164 -57.543 13.7323 -57.543 10.5411 GPRESSAVG: 3940000 -69.0145 -23.0697 14.8873 -25.9322 56.5297 -57.9999 13.9142 -60.087 12.7817 TIMING: 3940000 CPU: 11850.6, 0.00299784/step Wall: 11850.6, 0.00299784/step, 0.882697 hours remaining, 211.464844 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: 3940000 718.9348 2097.2145 1940.4394 119.4451 -206552.9403 18083.2587 0.0000 0.0000 34402.4241 -149191.2236 300.4449 -183593.6477 -149097.8520 299.0467 109.1619 147.5649 556850.5261 0.0213 0.0990 PRESSURE: 3940200 -135.412 -140.001 32.0757 -140.001 -234.663 187.057 32.0765 187.06 -128.001 GPRESSURE: 3940200 -84.4916 -120.182 -103.687 -113.818 -222.953 322.465 28.9206 125.813 -98.7611 PRESSAVG: 3940200 -22.952 -28.8718 -13.0158 -28.8718 -15.0172 -33.3694 -13.0158 -33.3695 64.4833 GPRESSAVG: 3940200 -22.1375 -31.0561 -13.9401 -28.4174 -14.4419 -35.961 -13.5156 -30.5356 62.7981 TIMING: 3940200 CPU: 11851.2, 0.00297726/step Wall: 11851.2, 0.00297726/step, 0.876472 hours remaining, 211.464844 MB of memory in use. ENERGY: 3940200 753.1378 2124.6169 1919.6998 118.8703 -205971.5402 17523.6567 0.0000 0.0000 34331.7952 -149199.7635 299.8281 -183531.5587 -149110.5374 299.1218 -166.0253 -135.4021 557325.3396 8.8381 8.7396 LDB: ============= START OF LOAD BALANCING ============== 11854.7 LDB: ============== END OF LOAD BALANCING =============== 11854.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11854.7 LDB: ============= START OF LOAD BALANCING ============== 11855 LDB: Largest compute 4773 load 0.026014 is 22.0% of average load 0.118223 LDB: Average compute 0.001714 is 1.5% of average load 0.118223 LDB: TIME 11855 LOAD: AVG 0.118223 MAX 0.211637 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.039 MB LDB: TIME 11855 LOAD: AVG 0.118223 MAX 0.211637 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.246 MB LDB: TIME 11855 LOAD: AVG 0.118223 MAX 0.211637 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.246 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11855 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11855 PRESSURE: 3940400 17.5433 -104.304 -21.2223 -104.302 -49.4304 -94.5152 -21.2221 -94.5168 64.9462 GPRESSURE: 3940400 28.1278 -159.396 20.2815 -68.9933 14.8222 -91.22 -6.63183 -77.7171 79.2106 PRESSAVG: 3940400 32.0218 10.647 31.3003 10.6471 -2.28322 0.502342 31.3004 0.50231 -33.1269 GPRESSAVG: 3940400 32.1765 11.7944 29.9315 9.73857 -2.23746 2.92407 32.6999 0.283289 -32.9308 TIMING: 3940400 CPU: 11851.8, 0.00306378/step Wall: 11851.8, 0.00306378/step, 0.901774 hours remaining, 208.429688 MB of memory in use. ENERGY: 3940400 748.9188 2078.5817 1858.8544 112.4900 -205931.0014 17878.8579 0.0000 0.0000 34008.8283 -149244.4704 297.0076 -183253.2986 -149148.5037 298.7194 11.0197 40.7202 557418.4931 -1.1294 -0.9972 PRESSURE: 3940600 -36.0734 -20.4399 46.1062 -20.4397 -64.157 74.1885 46.1057 74.1875 -99.4733 GPRESSURE: 3940600 56.9024 -5.94361 -34.422 -1.29895 -34.5652 19.2299 77.3199 116.358 -119.826 PRESSAVG: 3940600 -54.1199 -31.7038 41.289 -31.7039 23.0035 -2.92987 41.289 -2.92978 6.82746 GPRESSAVG: 3940600 -53.6244 -31.185 42.1691 -31.6514 21.9475 -2.74038 41.7806 -2.65315 7.41488 TIMING: 3940600 CPU: 11852.4, 0.00298956/step Wall: 11852.4, 0.00298956/step, 0.879762 hours remaining, 208.835938 MB of memory in use. ENERGY: 3940600 704.6027 2094.4664 1918.2140 107.8738 -206065.8468 17669.9704 0.0000 0.0000 34365.5488 -149205.1706 300.1229 -183570.7194 -149107.1374 299.2829 -66.5679 -32.4963 558712.2265 -8.0963 -8.0873 PRESSURE: 3940800 -3.74446 45.3026 -73.2625 45.3033 31.9216 -63.4531 -73.263 -63.4538 -107.499 GPRESSURE: 3940800 26.7622 85.9842 -51.0149 13.456 64.4779 -60.8739 -58.245 -85.8534 -86.4794 PRESSAVG: 3940800 31.2014 50.2395 -12.3533 50.2396 -28.541 -10.0984 -12.3533 -10.0983 40.1386 GPRESSAVG: 3940800 31.435 50.7258 -12.4468 50.2254 -28.0574 -10.515 -14.6493 -10.3061 39.2209 TIMING: 3940800 CPU: 11853, 0.00299657/step Wall: 11853, 0.00299657/step, 0.881659 hours remaining, 208.835938 MB of memory in use. ENERGY: 3940800 728.6951 2045.7431 1905.6554 102.9962 -205898.4899 17797.8092 0.0000 0.0000 34064.4618 -149253.1291 297.4934 -183317.5909 -149152.8367 299.9307 -26.4408 1.5869 559037.7662 14.2664 14.1995 PRESSURE: 3941000 202.204 159.103 -27.428 159.103 28.6137 4.85778 -27.4281 4.85738 -58.5364 GPRESSURE: 3941000 172.015 177.116 -56.8475 84.1198 103.905 78.0351 21.9516 -13.9876 6.61235 PRESSAVG: 3941000 5.53014 13.4855 -30.6885 13.4855 -37.8412 -13.1875 -30.6885 -13.1875 26.6943 GPRESSAVG: 3941000 5.70914 12.0556 -30.9189 14.1058 -37.6255 -12.268 -29.5294 -14.9916 26.8275 TIMING: 3941000 CPU: 11853.6, 0.00300245/step Wall: 11853.6, 0.00300245/step, 0.883219 hours remaining, 208.835938 MB of memory in use. ENERGY: 3941000 745.2638 2034.7768 1908.2301 98.9734 -206183.9880 17868.5093 0.0000 0.0000 34269.1305 -149259.1042 299.2808 -183528.2347 -149157.8178 298.5109 57.4270 94.1776 557791.8157 -1.8723 -1.6963 PRESSURE: 3941200 -248.561 -57.265 9.82879 -57.2662 111.033 104.765 9.82722 104.765 105.456 GPRESSURE: 3941200 -227.783 -67.9424 -28.5614 28.9488 126.88 69.226 102.853 103.595 175.421 PRESSAVG: 3941200 24.0379 63.8127 87.0083 63.8126 -7.0442 -5.47388 87.0084 -5.47387 22.2632 GPRESSAVG: 3941200 24.4915 66.3306 85.8644 64.1196 -8.24912 -5.91996 87.4765 -4.19394 22.7364 TIMING: 3941200 CPU: 11854.2, 0.0029915/step Wall: 11854.2, 0.0029915/step, 0.879833 hours remaining, 208.835938 MB of memory in use. ENERGY: 3941200 705.5074 2037.2163 1922.6922 119.0005 -206263.8424 17995.2431 0.0000 0.0000 34152.7678 -149331.4150 298.2646 -183484.1829 -149238.6794 298.3338 -10.6906 24.8393 559397.4453 13.0856 12.9929 PRESSURE: 3941400 -150.643 181.635 -180.891 181.635 -195.59 160.892 -180.89 160.892 133.004 GPRESSURE: 3941400 -151.977 134.972 -118.667 182.151 -144.225 95.3666 -193.235 180.341 167.101 PRESSAVG: 3941400 -13.871 -35.3645 -0.829494 -35.3644 39.735 57.275 -0.829467 57.275 -30.1019 GPRESSAVG: 3941400 -14.4262 -36.7688 1.01738 -34.3701 39.5579 56.1505 -1.53959 58.3568 -30.1419 TIMING: 3941400 CPU: 11854.8, 0.00300222/step Wall: 11854.8, 0.00300222/step, 0.882819 hours remaining, 208.835938 MB of memory in use. ENERGY: 3941400 746.9252 2051.6847 1933.1913 115.6242 -205929.9868 17736.3490 0.0000 0.0000 34187.0367 -149159.1758 298.5639 -183346.2124 -149064.8356 299.2777 -71.0764 -43.0338 559553.3945 -1.4126 -1.6700 PRESSURE: 3941600 -190.845 198.655 193.317 198.654 -313.577 -31.6761 193.317 -31.675 23.7986 GPRESSURE: 3941600 -116.3 204.383 136.03 135.629 -289.214 73.3466 181.476 -45.7536 20.7145 PRESSAVG: 3941600 -26.0556 1.67258 18.757 1.67261 -9.79014 -13.8841 18.757 -13.8841 41.7926 GPRESSAVG: 3941600 -25.6867 1.78656 19.0158 0.451685 -10.7217 -14.0254 19.8135 -15.0728 42.2499 TIMING: 3941600 CPU: 11855.4, 0.00298528/step Wall: 11855.4, 0.00298528/step, 0.877673 hours remaining, 208.835938 MB of memory in use. ENERGY: 3941600 743.4017 2113.7871 1926.3796 112.8237 -206068.5230 17708.3976 0.0000 0.0000 34295.6998 -149168.0335 299.5129 -183463.7333 -149070.1564 299.7458 -160.2078 -128.2668 559116.7055 1.9823 1.9472 PRESSURE: 3941800 200.175 95.585 -32.7533 95.5854 314.499 -202.562 -32.7533 -202.564 131.052 GPRESSURE: 3941800 247.154 84.3966 -60.7157 110.404 323.099 -168.354 -13.5421 -130.121 184.39 PRESSAVG: 3941800 37.4884 -34.4653 13.691 -34.4653 -60.3404 -37.6131 13.691 -37.6133 -5.71521 GPRESSAVG: 3941800 36.3938 -34.4736 13.7553 -35.3145 -59.7921 -38.3547 11.9404 -37.4486 -5.33615 TIMING: 3941800 CPU: 11856, 0.00298739/step Wall: 11856, 0.00298739/step, 0.878128 hours remaining, 208.835938 MB of memory in use. ENERGY: 3941800 717.9122 2057.8575 1929.9951 114.5789 -206262.3765 17971.1497 0.0000 0.0000 34262.8611 -149208.0221 299.2261 -183470.8832 -149112.9993 299.3009 215.2420 251.5474 555746.7688 -9.5224 -9.5782 PRESSURE: 3942000 -184.392 103.29 131.539 103.29 -175.519 -87.6072 131.541 -87.605 -129.567 GPRESSURE: 3942000 -207.232 105.446 129.808 91.8292 -112.89 -89.8103 184.177 -138.66 -71.5229 PRESSAVG: 3942000 60.3586 15.0139 11.2626 15.0139 -28.3988 -36.5425 11.2625 -36.5425 -53.1326 GPRESSAVG: 3942000 60.7242 16.3636 10.9908 16.2587 -27.9885 -34.5597 12.4824 -36.851 -53.5462 TIMING: 3942000 CPU: 11856.6, 0.00296669/step Wall: 11856.6, 0.00296669/step, 0.871877 hours remaining, 208.835938 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: 3942000 734.4340 2080.8137 1906.4675 100.5063 -205748.7249 17495.8577 0.0000 0.0000 34305.7755 -149124.8703 299.6009 -183430.6457 -149033.8179 299.6269 -163.1594 -130.5486 557637.8218 -7.0576 -6.9368 PRESSURE: 3942200 96.4015 106.577 -100.678 106.576 -251.463 -99.2606 -100.678 -99.26 -259.985 GPRESSURE: 3942200 148.967 117.502 -98.3369 58.2619 -154.816 -41.3202 -123.328 -76.1376 -311.351 PRESSAVG: 3942200 14.189 34.2505 65.1652 34.2504 6.15869 -44.209 65.1652 -44.209 -23.6267 GPRESSAVG: 3942200 14.2334 34.9339 64.0513 30.5033 7.31229 -44.1745 64.798 -45.1161 -24.7141 TIMING: 3942200 CPU: 11857.2, 0.00300434/step Wall: 11857.2, 0.00300434/step, 0.882775 hours remaining, 208.835938 MB of memory in use. ENERGY: 3942200 723.3707 2086.4200 1920.7653 97.8571 -205948.9655 17552.6694 0.0000 0.0000 34299.7444 -149268.1386 299.5482 -183567.8830 -149171.9650 299.8584 -138.3489 -105.7333 556322.6922 -1.0930 -1.0561 PRESSURE: 3942400 269.201 -78.7121 15.998 -78.7131 -178.983 -49.4131 15.998 -49.4136 -112.046 GPRESSURE: 3942400 286.612 -6.72108 -22.0184 -154.487 -135.642 -80.6856 65.667 64.0807 -63.8228 PRESSAVG: 3942400 15.4782 58.2175 38.0945 58.2175 15.8279 -9.96783 38.0944 -9.96796 -24.0444 GPRESSAVG: 3942400 15.2809 55.1365 37.2745 61.2851 15.5989 -10.6027 38.5843 -9.02108 -23.3558 TIMING: 3942400 CPU: 11857.8, 0.00296576/step Wall: 11857.8, 0.00296576/step, 0.871274 hours remaining, 208.835938 MB of memory in use. ENERGY: 3942400 745.0480 2062.0968 1913.2858 103.6090 -206167.6787 17648.1253 0.0000 0.0000 34389.7084 -149305.8054 300.3339 -183695.5138 -149209.2614 299.8249 -7.2759 29.0492 556691.6842 2.4206 2.5080 PRESSURE: 3942600 -46.6449 -7.89656 89.7025 -7.89743 -228.44 -24.5579 89.7028 -24.5595 -186.171 GPRESSURE: 3942600 -74.5025 20.3212 12.7105 12.6212 -149.428 -53.2498 82.5203 -3.63721 -148.212 PRESSAVG: 3942600 6.48028 8.76951 34.6649 8.76952 9.73003 -19.6976 34.665 -19.6977 2.75665 GPRESSAVG: 3942600 5.55545 10.0338 37.464 8.75034 10.3979 -19.5315 33.2825 -19.7747 3.04688 TIMING: 3942600 CPU: 11858.4, 0.00299062/step Wall: 11858.4, 0.00299062/step, 0.878412 hours remaining, 208.835938 MB of memory in use. ENERGY: 3942600 767.1491 2123.4536 1943.8345 108.3985 -205841.1062 17613.1985 0.0000 0.0000 34047.1798 -149237.8921 297.3425 -183285.0719 -149148.7809 299.2905 -153.7520 -124.0477 556883.2595 6.3223 6.3334 PRESSURE: 3942800 -72.6865 -151.041 51.9372 -151.042 -169.045 85.1243 51.9382 85.1249 -99.4616 GPRESSURE: 3942800 -48.126 -101.918 87.1036 -171.308 -127.183 47.4047 -102.622 134.6 -71.1749 PRESSAVG: 3942800 25.6849 -4.81889 12.7071 -4.81892 -7.18395 30.9266 12.7072 30.9265 -7.99387 GPRESSAVG: 3942800 26.3991 -3.65902 13.2655 -5.35157 -8.32969 29.8705 11.8817 30.0007 -7.65658 TIMING: 3942800 CPU: 11858.9, 0.00296031/step Wall: 11858.9, 0.00296031/step, 0.869345 hours remaining, 208.835938 MB of memory in use. ENERGY: 3942800 738.4232 2029.7423 1909.6799 112.7651 -205779.7203 17404.8320 0.0000 0.0000 34249.7429 -149334.5349 299.1115 -183584.2777 -149234.1171 299.5791 -113.7310 -82.1613 556611.9671 3.5023 3.4709 PRESSURE: 3943000 307.974 31.5795 210.449 31.5793 284.702 -24.2114 210.448 -24.2105 -5.48315 GPRESSURE: 3943000 375.805 60.8297 159.918 7.85103 308.685 -27.5682 272.737 -24.2364 -7.72499 PRESSAVG: 3943000 -6.35967 -30.6321 91.5227 -30.6321 -3.0611 42.0444 91.5227 42.0443 -1.24757 GPRESSAVG: 3943000 -6.19117 -32.1687 91.6353 -31.6677 -2.0683 44.74 92.7676 41.9238 -2.75077 TIMING: 3943000 CPU: 11859.5, 0.00298429/step Wall: 11859.5, 0.00298429/step, 0.876221 hours remaining, 208.835938 MB of memory in use. ENERGY: 3943000 751.2890 2069.6899 1949.1438 122.1177 -206419.3356 17996.0633 0.0000 0.0000 34394.5314 -149136.5006 300.3760 -183531.0320 -149047.2204 299.8780 195.7310 225.5882 555675.3737 -3.5561 -3.6701 PRESSURE: 3943200 6.10142 73.4573 -118.017 73.4565 -57.5769 8.79956 -118.017 8.79966 -193.183 GPRESSURE: 3943200 48.6444 70.8936 -140.733 130.25 -16.9132 50.8936 -58.372 -0.727951 -185.544 PRESSAVG: 3943200 -0.463091 1.94074 52.7302 1.94066 -8.48617 -10.1647 52.7302 -10.1647 19.0251 GPRESSAVG: 3943200 1.01957 1.389 51.9176 1.73028 -9.52175 -11.7143 53.7011 -11.3405 18.4284 TIMING: 3943200 CPU: 11860.1, 0.00300558/step Wall: 11860.1, 0.00300558/step, 0.882304 hours remaining, 208.835938 MB of memory in use. ENERGY: 3943200 784.5554 2082.9140 1943.0150 117.2357 -206235.2120 17864.3544 0.0000 0.0000 34300.5236 -149142.6139 299.5550 -183443.1376 -149048.7884 299.5114 -81.5528 -51.2709 556368.6794 3.3586 3.3087 PRESSURE: 3943400 -121.643 -72.4702 67.3813 -72.47 -148.84 -17.7145 67.3815 -17.7138 -51.971 GPRESSURE: 3943400 -80.2043 -91.018 1.5006 -68.6618 -115.255 -93.5654 74.1759 -29.4504 -29.8406 PRESSAVG: 3943400 -20.9105 31.4233 -16.6049 31.4234 -21.2629 23.7566 -16.6048 23.7565 73.9358 GPRESSAVG: 3943400 -21.9667 32.421 -18.1733 32.0822 -21.7167 22.478 -17.8195 26.28 75.1352 TIMING: 3943400 CPU: 11860.7, 0.00300471/step Wall: 11860.7, 0.00300471/step, 0.881882 hours remaining, 208.835938 MB of memory in use. ENERGY: 3943400 774.1258 2035.8284 1962.3275 106.3437 -205896.7423 17565.3380 0.0000 0.0000 34308.5560 -149144.2229 299.6252 -183452.7789 -149044.2897 299.4518 -107.4846 -75.1001 555966.4267 10.5874 10.4839 PRESSURE: 3943600 127.501 20.2823 33.745 20.2835 -118.688 -77.8451 33.7455 -77.8456 27.6987 GPRESSURE: 3943600 140.705 26.0136 31.603 -70.6487 -83.0064 -82.5059 50.2537 -107.433 75.5554 PRESSAVG: 3943600 60.0942 53.9264 -5.15179 53.9263 -62.1469 -13.3486 -5.15185 -13.3487 4.05118 GPRESSAVG: 3943600 59.3166 50.5378 -4.70221 55.5468 -60.501 -13.6514 -5.10614 -12.0326 3.70801 TIMING: 3943600 CPU: 11861.3, 0.00298983/step Wall: 11861.3, 0.00298983/step, 0.877348 hours remaining, 208.835938 MB of memory in use. ENERGY: 3943600 747.6038 2072.1689 1930.1310 111.7715 -205946.0742 17711.9428 0.0000 0.0000 34351.1204 -149021.3359 299.9969 -183372.4562 -148927.3391 299.8142 12.1706 44.4181 557204.8214 0.6661 0.8412 PRESSURE: 3943800 97.8667 107.161 20.1378 107.163 -349.091 15.5283 20.1385 15.5274 -74.3885 GPRESSURE: 3943800 154.597 95.673 32.0424 205.014 -324.998 33.1312 -14.082 26.3603 -59.2159 PRESSAVG: 3943800 24.5121 14.1566 16.925 14.1567 -66.188 -11.8273 16.9251 -11.8272 3.71431 GPRESSAVG: 3943800 26.2376 16.5916 16.2908 13.8168 -68.1614 -10.8828 18.3223 -13.8719 4.04459 TIMING: 3943800 CPU: 11861.9, 0.00297014/step Wall: 11861.9, 0.00297014/step, 0.871407 hours remaining, 208.835938 MB of memory in use. ENERGY: 3943800 765.5895 2047.9066 1948.4325 102.8612 -205785.2803 17471.3185 0.0000 0.0000 34489.9346 -148959.2374 301.2092 -183449.1720 -148863.6241 300.0302 -108.5375 -76.5391 556675.9177 -12.6539 -12.6264 PRESSURE: 3944000 -171.514 88.6839 14.3364 88.6839 -220.149 37.6612 14.3348 37.6612 -129.715 GPRESSURE: 3944000 -238.692 42.0064 -52.3995 50.4765 -149.587 5.84525 74.9136 52.1824 -45.9103 PRESSAVG: 3944000 2.68776 -10.4715 -63.7196 -10.4715 -34.5977 53.6399 -63.7196 53.6399 54.9321 GPRESSAVG: 3944000 0.681431 -11.3207 -63.4071 -10.7091 -33.9138 53.3188 -63.4555 53.554 55.9512 TIMING: 3944000 CPU: 11862.5, 0.00296058/step Wall: 11862.5, 0.00296058/step, 0.868437 hours remaining, 208.835938 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: 3944000 759.6652 2118.1161 1943.5544 102.5520 -206220.7683 17814.1749 0.0000 0.0000 34312.8656 -149169.8401 299.6628 -183482.7057 -149070.0971 300.2846 -173.7928 -144.7298 558394.8220 7.6740 7.5729 PRESSURE: 3944200 -291.949 -114.794 -48.8163 -114.793 -141.958 220.532 -48.8157 220.532 9.39801 GPRESSURE: 3944200 -305.282 -189.614 -47.4533 -65.1779 -92.0761 170.97 -16.2795 294.096 55.1852 PRESSAVG: 3944200 14.4435 10.6896 -31.9259 10.6898 24.48 -5.21542 -31.9259 -5.21533 -13.3478 GPRESSAVG: 3944200 15.0733 11.5442 -28.9437 10.5846 25.0027 -5.58501 -34.2565 -5.11975 -14.3771 TIMING: 3944200 CPU: 11863.1, 0.00297385/step Wall: 11863.1, 0.00297385/step, 0.872164 hours remaining, 208.835938 MB of memory in use. ENERGY: 3944200 767.0675 2119.0383 1951.2997 122.1725 -206140.1509 17744.1986 0.0000 0.0000 34320.5806 -149115.7936 299.7302 -183436.3741 -149020.5734 300.1564 -141.5027 -114.0578 559751.5352 8.5252 8.5663 LDB: ============= START OF LOAD BALANCING ============== 11866.6 LDB: ============== END OF LOAD BALANCING =============== 11866.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11866.6 LDB: ============= START OF LOAD BALANCING ============== 11866.9 LDB: Largest compute 4802 load 0.027401 is 23.2% of average load 0.118194 LDB: Average compute 0.001730 is 1.5% of average load 0.118194 LDB: TIME 11866.9 LOAD: AVG 0.118194 MAX 0.210462 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.738 MB LDB: TIME 11866.9 LOAD: AVG 0.118194 MAX 0.210462 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.742 MB LDB: TIME 11866.9 LOAD: AVG 0.118194 MAX 0.210462 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.742 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11866.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11867 PRESSURE: 3944400 436.898 76.2367 30.9897 76.2373 37.6477 -44.4233 30.9901 -44.4217 -40.1497 GPRESSURE: 3944400 469.31 22.0153 17.777 106.781 104.345 6.09681 -69.3266 -23.5727 -38.6388 PRESSAVG: 3944400 -3.53894 -7.28235 -34.4072 -7.28234 75.5043 -20.2724 -34.4072 -20.2726 -82.2231 GPRESSAVG: 3944400 -4.30152 -8.45106 -37.0437 -6.56288 76.0614 -18.3872 -33.4127 -21.0894 -82.4022 TIMING: 3944400 CPU: 11863.7, 0.00305975/step Wall: 11863.7, 0.00305975/step, 0.897187 hours remaining, 209.457031 MB of memory in use. ENERGY: 3944400 742.2921 2066.4176 1954.4003 109.8561 -206432.6845 18148.3599 0.0000 0.0000 34217.0256 -149194.3329 298.8258 -183411.3585 -149099.3577 299.0847 144.7988 178.3385 556638.7372 -3.4192 -3.5474 PRESSURE: 3944600 55.7956 -145.546 91.4486 -145.545 129.745 38.8472 91.45 38.8487 -155.662 GPRESSURE: 3944600 125.525 -193.702 138.187 -59.7049 129.449 46.7487 -6.49718 11.3561 -121.87 PRESSAVG: 3944600 37.5794 37.0998 -31.315 37.0998 19.1163 -9.11831 -31.315 -9.11821 -78.0712 GPRESSAVG: 3944600 38.3772 38.8208 -30.4869 35.2344 18.0274 -10.426 -31.0014 -7.3927 -77.9664 TIMING: 3944600 CPU: 11864.3, 0.00297047/step Wall: 11864.3, 0.00297047/step, 0.870843 hours remaining, 209.457031 MB of memory in use. ENERGY: 3944600 724.7645 2065.3198 1966.1222 123.1063 -206284.7612 17849.3169 0.0000 0.0000 34352.7703 -149203.3612 300.0113 -183556.1314 -149103.6913 299.5880 9.9593 44.3679 558714.0562 -7.1252 -7.1873 PRESSURE: 3944800 -17.1005 58.7979 185.422 58.7985 240.563 -45.4366 185.421 -45.4377 -400.095 GPRESSURE: 3944800 -19.4426 151.562 123.036 19.3513 291.765 44.4053 183.197 -71.0764 -358.554 PRESSAVG: 3944800 37.3363 -43.7096 0.78973 -43.7096 24.7147 2.02703 0.789669 2.02709 -88.1071 GPRESSAVG: 3944800 37.678 -44.795 0.806462 -41.5418 24.4599 3.72933 1.44747 0.468348 -88.5503 TIMING: 3944800 CPU: 11864.9, 0.00299013/step Wall: 11864.9, 0.00299013/step, 0.876441 hours remaining, 209.457031 MB of memory in use. ENERGY: 3944800 726.8220 2130.2166 1950.1196 114.7846 -206018.5538 17683.1103 0.0000 0.0000 34318.4581 -149095.0426 299.7116 -183413.5007 -148991.2431 299.0068 -58.8776 -28.7437 557315.1906 -8.6853 -8.8041 PRESSURE: 3945000 67.5494 111.004 41.8389 111.005 -416.633 76.1407 41.8387 76.1411 -203.274 GPRESSURE: 3945000 54.3663 112.149 47.6144 134.696 -371.738 -25.1493 67.5806 122.265 -142.693 PRESSAVG: 3945000 13.3998 31.6741 -10.7385 31.6741 22.0455 -10.0621 -10.7385 -10.0622 -52.8361 GPRESSAVG: 3945000 12.3832 31.4797 -11.8959 31.3185 21.5451 -10.434 -12.151 -10.3823 -51.6833 TIMING: 3945000 CPU: 11865.5, 0.00299376/step Wall: 11865.5, 0.00299376/step, 0.877338 hours remaining, 209.457031 MB of memory in use. ENERGY: 3945000 766.8416 2139.5928 1918.3050 121.6648 -205860.7476 17519.6674 0.0000 0.0000 34360.0629 -149034.6131 300.0750 -183394.6760 -148938.8685 299.9306 -184.1194 -153.3551 558307.1990 -5.7969 -5.9183 PRESSURE: 3945200 5.49967 86.248 103.616 86.2483 -327.629 -85.656 103.616 -85.6558 -310.338 GPRESSURE: 3945200 71.0516 -23.2934 51.7398 151.706 -292.058 -197.651 116.533 36.9945 -297.969 PRESSAVG: 3945200 26.4064 27.9882 18.3994 27.9882 -18.1791 0.565785 18.3994 0.565696 -0.872826 GPRESSAVG: 3945200 27.6607 28.7713 20.6162 26.2824 -18.302 1.20933 17.7295 0.646601 -2.08988 TIMING: 3945200 CPU: 11866.1, 0.00298143/step Wall: 11866.1, 0.00298143/step, 0.873559 hours remaining, 209.457031 MB of memory in use. ENERGY: 3945200 768.2816 2050.9446 1937.5686 101.6496 -205810.0240 17452.6529 0.0000 0.0000 34523.3817 -148975.5450 301.5013 -183498.9267 -148876.6283 300.4147 -210.8225 -172.9919 557824.7191 2.4515 2.4229 PRESSURE: 3945400 109.17 -115.739 259.677 -115.737 133.221 -72.7927 259.677 -72.7931 -51.1653 GPRESSURE: 3945400 77.8448 -109.9 248.627 -197.946 231.567 -100.663 291.03 -17.7339 -13.4195 PRESSAVG: 3945400 -50.6227 1.12337 11.2802 1.12338 22.9001 0.143958 11.2803 0.143902 11.3237 GPRESSAVG: 3945400 -52.8716 2.41646 10.8612 0.832979 23.9248 0.54346 10.4328 0.468477 12.1902 TIMING: 3945400 CPU: 11866.7, 0.00300543/step Wall: 11866.7, 0.00300543/step, 0.880423 hours remaining, 209.457031 MB of memory in use. ENERGY: 3945400 742.4083 2115.4297 1929.9455 107.9213 -206076.4073 17874.9002 0.0000 0.0000 34339.3128 -148966.4895 299.8938 -183305.8022 -148864.1764 300.3228 63.7419 98.6643 556591.7129 -5.4663 -5.5855 PRESSURE: 3945600 7.69386 177.143 -79.9039 177.144 -289.151 -61.9903 -79.9022 -61.9922 22.1399 GPRESSURE: 3945600 73.5549 205.367 -41.3352 131.522 -270.68 -42.1641 -18.9994 -10.8776 36.797 PRESSAVG: 3945600 -42.4008 27.4744 -8.6118 27.4743 71.1349 24.8629 -8.61182 24.8628 -34.2462 GPRESSAVG: 3945600 -41.9786 25.3223 -10.0002 27.7971 70.8984 25.1173 -6.73304 25.6272 -34.3327 TIMING: 3945600 CPU: 11867.3, 0.0030188/step Wall: 11867.3, 0.0030188/step, 0.884172 hours remaining, 209.457031 MB of memory in use. ENERGY: 3945600 723.2499 2111.8898 1959.3625 125.5526 -205864.2948 17697.3767 0.0000 0.0000 34413.2106 -148833.6528 300.5391 -183246.8633 -148740.3256 300.4008 -86.4392 -53.4429 558020.9167 -1.8374 -1.8043 PRESSURE: 3945800 -165.484 -139.808 101.033 -139.808 157.827 200.81 101.031 200.81 147.252 GPRESSURE: 3945800 -88.3429 -230.246 136.06 -31.8196 194.358 272.122 15.0292 205.427 139.651 PRESSAVG: 3945800 35.8721 2.12991 3.04528 2.12996 -11.1401 -3.63807 3.0453 -3.63821 -6.38904 GPRESSAVG: 3945800 35.8322 4.32738 1.69047 2.16331 -10.3531 -4.84699 3.6251 -3.22718 -7.25427 TIMING: 3945800 CPU: 11867.9, 0.0029853/step Wall: 11867.9, 0.0029853/step, 0.874195 hours remaining, 209.457031 MB of memory in use. ENERGY: 3945800 738.5434 2044.0905 1929.1075 116.1318 -206325.1513 18031.1784 0.0000 0.0000 34443.5779 -149022.5219 300.8043 -183466.0998 -148923.0904 300.2957 46.5316 81.8887 558590.9539 6.1143 6.0750 PRESSURE: 3946000 -71.5477 -134.234 152.408 -134.233 -165.54 -22.162 152.408 -22.161 193.495 GPRESSURE: 3946000 -43.5307 -141.079 176.309 -71.5583 -92.8034 -87.9199 84.3165 59.2439 185.032 PRESSAVG: 3946000 -46.0995 11.2082 10.2131 11.2082 -18.0586 45.7928 10.2131 45.7929 20.1081 GPRESSAVG: 3946000 -45.4083 10.6886 12.9296 11.0322 -19.638 45.4927 9.32372 44.7544 21.5759 TIMING: 3946000 CPU: 11868.5, 0.00297137/step Wall: 11868.5, 0.00297137/step, 0.86995 hours remaining, 209.457031 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: 3946000 740.1686 2123.6000 1928.9933 93.7818 -206209.9824 17809.9260 0.0000 0.0000 34362.9298 -149150.5830 300.1000 -183513.5128 -149058.4588 299.1866 -14.5310 16.2326 559245.4810 -14.6833 -14.4901 PRESSURE: 3946200 -176.041 -85.767 113.949 -85.7669 -213.313 -170.751 113.95 -170.752 -256.371 GPRESSURE: 3946200 -149.021 -34.7308 58.0975 -83.756 -185.618 -121.752 75.3648 -227.568 -201.22 PRESSAVG: 3946200 17.3551 -58.4522 42.8958 -58.4522 -56.9656 5.73203 42.8958 5.7319 33.9138 GPRESSAVG: 3946200 17.4919 -56.2538 44.1873 -60.0386 -57.1253 6.46044 41.7054 5.81313 33.9682 TIMING: 3946200 CPU: 11869.1, 0.00298112/step Wall: 11869.1, 0.00298112/step, 0.872641 hours remaining, 209.457031 MB of memory in use. ENERGY: 3946200 742.1465 2082.4664 1933.9784 108.3572 -205843.6330 17450.6151 0.0000 0.0000 34388.5538 -149137.5156 300.3238 -183526.0694 -149046.3913 299.1829 -215.2417 -178.6198 558615.2116 -1.8989 -1.8884 PRESSURE: 3946400 -17.4641 -130.108 125.74 -130.108 -202.482 45.9308 125.739 45.9305 241.469 GPRESSURE: 3946400 64.1727 -269.873 121.846 -142.533 -161.583 -16.6054 99.4147 85.092 209.247 PRESSAVG: 3946400 -75.6194 -21.6977 -49.4063 -21.6977 -54.739 12.9356 -49.4063 12.9355 95.3196 GPRESSAVG: 3946400 -75.4191 -24.0784 -52.1033 -21.2251 -54.8874 13.1199 -47.1552 14.0072 94.6307 TIMING: 3946400 CPU: 11869.7, 0.00297823/step Wall: 11869.7, 0.00297823/step, 0.871629 hours remaining, 209.457031 MB of memory in use. ENERGY: 3946400 731.9895 2048.2941 1934.4660 115.5060 -206131.2280 17864.6588 0.0000 0.0000 34380.9342 -149055.3794 300.2572 -183436.3136 -148957.3155 299.5864 7.1744 37.2788 558441.9197 -11.6796 -11.8919 PRESSURE: 3946600 11.2713 95.3486 -186.849 95.3484 -5.86088 169.896 -186.848 169.897 84.6923 GPRESSURE: 3946600 13.9782 12.7792 -186.74 119.112 62.4318 66.757 -128.858 154.239 108.53 PRESSAVG: 3946600 -8.07832 -21.5922 0.765423 -21.5922 14.6351 6.29296 0.765458 6.29304 30.5451 GPRESSAVG: 3946600 -8.39027 -21.5569 1.829 -19.7452 14.5472 5.11369 0.382456 6.2489 30.9412 TIMING: 3946600 CPU: 11870.3, 0.00300283/step Wall: 11870.3, 0.00300283/step, 0.87866 hours remaining, 209.457031 MB of memory in use. ENERGY: 3946600 729.4002 2075.8379 1901.4260 102.7278 -205779.9181 17741.9808 0.0000 0.0000 34031.9236 -149196.6218 297.2093 -183228.5453 -149101.7112 298.7461 30.0342 61.6467 559329.9155 12.3673 12.3661 PRESSURE: 3946800 -422.858 -10.3869 -6.80485 -10.3862 -195.954 43.4424 -6.80554 43.4417 8.06445 GPRESSURE: 3946800 -318.06 29.1187 -33.0477 -14.9837 -185.979 122.976 18.6835 -100.702 -3.23631 PRESSAVG: 3946800 -10.4581 -8.93134 -35.8009 -8.93134 34.1033 10.6028 -35.801 10.6028 38.3668 GPRESSAVG: 3946800 -11.4866 -7.7405 -35.2437 -11.5319 34.7853 9.62502 -36.8738 9.79906 38.1207 TIMING: 3946800 CPU: 11870.9, 0.00300489/step Wall: 11870.9, 0.00300489/step, 0.879096 hours remaining, 209.457031 MB of memory in use. ENERGY: 3946800 759.7701 2075.7036 1945.8754 116.0385 -205888.5024 17704.9937 0.0000 0.0000 34194.3524 -149091.7687 298.6278 -183286.1211 -148995.8593 299.3527 -203.5824 -169.0916 560340.3577 20.6707 20.4731 PRESSURE: 3947000 -179.557 55.9524 -36.4794 55.9537 -246.867 164.694 -36.4794 164.695 -279.108 GPRESSURE: 3947000 -108.271 10.8574 -22.5678 23.1843 -255.17 248.45 -72.9762 126.986 -254.417 PRESSAVG: 3947000 23.2358 17.9122 -7.53132 17.9123 -4.89531 85.7343 -7.53138 85.7343 -27.6961 GPRESSAVG: 3947000 23.426 17.93 -7.24457 18.9399 -5.18974 88.1586 -5.85283 85.5777 -27.5426 TIMING: 3947000 CPU: 11871.5, 0.00300568/step Wall: 11871.5, 0.00300568/step, 0.879162 hours remaining, 209.457031 MB of memory in use. ENERGY: 3947000 763.8829 2112.6026 1932.0524 108.8010 -205837.4555 17755.0083 0.0000 0.0000 34202.0616 -148963.0467 298.6951 -183165.1083 -148857.7631 300.1909 -235.1774 -205.9527 559220.3872 -3.1185 -3.1021 PRESSURE: 3947200 -94.2755 131.046 -29.1798 131.046 49.5138 85.3076 -29.1806 85.3076 -59.9036 GPRESSURE: 3947200 0.201198 250.426 -17.6614 88.1505 47.701 77.3173 5.09488 70.5813 -55.3356 PRESSAVG: 3947200 24.0272 -3.76666 -18.1238 -3.7667 -20.3977 81.9234 -18.1238 81.9234 -21.2455 GPRESSAVG: 3947200 23.4046 -3.32576 -20.5413 -2.82691 -19.4275 81.5193 -19.255 80.7603 -20.958 TIMING: 3947200 CPU: 11872.1, 0.00297275/step Wall: 11872.1, 0.00297275/step, 0.869363 hours remaining, 209.718750 MB of memory in use. ENERGY: 3947200 731.6721 2073.8683 1936.6867 104.0041 -206017.4951 17839.6767 0.0000 0.0000 34150.5988 -149180.9883 298.2457 -183331.5871 -149087.4155 299.1149 -34.8884 -2.4778 559858.1900 -5.8720 -5.6603 PRESSURE: 3947400 -106.122 -138.995 -92.6009 -138.994 -64.673 -11.8852 -92.6008 -11.8852 22.4544 GPRESSURE: 3947400 -101.539 -177.471 -73.0126 -106.559 -9.05364 -47.9917 -67.3573 -24.8183 53.2325 PRESSAVG: 3947400 -22.1568 -23.3086 -10.3906 -23.3087 28.4637 9.4833 -10.3905 9.48321 -59.1933 GPRESSAVG: 3947400 -21.0762 -25.1568 -10.0614 -24.2503 27.1346 9.18406 -9.05051 11.248 -59.0516 TIMING: 3947400 CPU: 11872.7, 0.0029799/step Wall: 11872.7, 0.0029799/step, 0.871289 hours remaining, 209.718750 MB of memory in use. ENERGY: 3947400 726.6713 2147.3969 1931.9981 114.6663 -206291.7142 18007.1532 0.0000 0.0000 34023.0362 -149340.7922 297.1316 -183363.8284 -149242.5317 298.7792 -49.4467 -19.1200 559686.2179 -17.6288 -17.6644 PRESSURE: 3947600 -387.256 -37.3091 77.6282 -37.3077 -99.87 -11.2946 77.6274 -11.2962 -205.373 GPRESSURE: 3947600 -338.501 9.05745 47.4584 -44.0825 -92.235 28.2075 65.6652 80.9748 -161.751 PRESSAVG: 3947600 -33.2685 -2.54761 10.2669 -2.54765 -0.272181 -2.38792 10.2668 -2.388 41.1128 GPRESSAVG: 3947600 -33.4271 -2.2865 12.104 -2.64019 0.640045 -3.57448 8.88949 -2.47155 40.1418 TIMING: 3947600 CPU: 11873.3, 0.00301217/step Wall: 11873.3, 0.00301217/step, 0.880558 hours remaining, 209.718750 MB of memory in use. ENERGY: 3947600 709.3996 2088.9122 1958.4146 116.6998 -205893.2856 17403.9836 0.0000 0.0000 34224.4808 -149391.3949 298.8909 -183615.8757 -149293.4192 298.6463 -230.8333 -197.4955 558308.0721 2.5240 2.4516 PRESSURE: 3947800 -22.997 72.182 -17.4671 72.1812 -202.272 -155.455 -17.4681 -155.456 -281.676 GPRESSURE: 3947800 -23.8853 91.6612 -28.061 76.2942 -104.778 -172.127 3.33352 -143.262 -283.328 PRESSAVG: 3947800 0.188395 6.27478 21.4226 6.27476 1.28515 -8.22921 21.4226 -8.22918 -14.5903 GPRESSAVG: 3947800 -0.119841 6.79171 21.7701 6.35245 1.32567 -8.99225 22.1627 -9.57088 -13.7421 TIMING: 3947800 CPU: 11873.9, 0.00302249/step Wall: 11873.9, 0.00302249/step, 0.883406 hours remaining, 209.718750 MB of memory in use. ENERGY: 3947800 755.8770 2089.9170 1917.8089 105.2877 -206072.4617 17606.1069 0.0000 0.0000 34205.5869 -149391.8772 298.7259 -183597.4642 -149297.8223 298.9042 -168.9817 -137.3304 557138.5520 -4.3722 -4.1788 PRESSURE: 3948000 151.799 -100.569 114.983 -100.568 43.9096 61.394 114.985 61.3955 -91.4339 GPRESSURE: 3948000 183.451 -0.794013 202.23 -109.75 59.6205 58.4277 34.6648 -0.931 -33.589 PRESSAVG: 3948000 20.8543 3.39511 2.64555 3.39518 22.5077 56.3234 2.64556 56.3234 -47.8955 GPRESSAVG: 3948000 21.1011 4.27304 1.89566 5.1438 21.4648 57.2857 2.41991 58.3383 -47.7591 TIMING: 3948000 CPU: 11874.5, 0.0029865/step Wall: 11874.5, 0.0029865/step, 0.872723 hours remaining, 209.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3948000 720.8121 2065.2155 1939.6990 117.8736 -206309.5358 17844.4458 0.0000 0.0000 34314.2635 -149307.2263 299.6750 -183621.4898 -149209.8578 299.4852 34.7582 69.8276 557206.6479 -1.5112 -1.7311 PRESSURE: 3948200 -12.817 25.485 -73.0172 25.4842 -53.3843 -68.2025 -73.0173 -68.2033 -21.1363 GPRESSURE: 3948200 8.48536 57.4237 -104.044 86.8852 -43.1756 -142.002 -10.3972 -55.1864 40.4435 PRESSAVG: 3948200 7.20572 -9.33384 -47.2715 -9.33389 15.4233 -5.52983 -47.2716 -5.52984 13.1834 GPRESSAVG: 3948200 7.31331 -9.22317 -48.2763 -10.7224 16.3705 -6.35982 -46.6955 -6.32237 12.2752 TIMING: 3948200 CPU: 11875.1, 0.00297408/step Wall: 11875.1, 0.00297408/step, 0.868928 hours remaining, 209.718750 MB of memory in use. ENERGY: 3948200 724.3427 2085.3223 1934.1477 125.4734 -206123.9198 17764.3979 0.0000 0.0000 34073.9481 -149416.2877 297.5763 -183490.2358 -149322.0229 298.7314 -29.1125 1.9178 558074.8605 11.9375 11.9863 LDB: ============= START OF LOAD BALANCING ============== 11878.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11878.6 LDB: =============== DONE WITH MIGRATION ================ 11878.6 LDB: ============= START OF LOAD BALANCING ============== 11878.9 LDB: Largest compute 4802 load 0.027588 is 23.3% of average load 0.118222 LDB: Average compute 0.001716 is 1.5% of average load 0.118222 LDB: TIME 11878.9 LOAD: AVG 0.118222 MAX 0.208507 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.652 MB LDB: TIME 11878.9 LOAD: AVG 0.118222 MAX 0.208507 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.723 MB LDB: TIME 11878.9 LOAD: AVG 0.118222 MAX 0.208507 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.723 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11878.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11878.9 PRESSURE: 3948400 26.3858 198.834 -109.232 198.835 130.514 -47.2585 -109.232 -47.2596 72.1187 GPRESSURE: 3948400 37.2008 189.641 -155.565 138.696 147.969 31.9901 -13.9168 -84.3256 145.134 PRESSAVG: 3948400 15.0122 8.0106 -18.3818 8.01062 -3.82426 -19.2008 -18.3818 -19.2008 -34.8567 GPRESSAVG: 3948400 15.8681 7.23935 -17.7069 9.68153 -4.17275 -19.5912 -17.9576 -20.4024 -35.0165 TIMING: 3948400 CPU: 11875.7, 0.003016/step Wall: 11875.7, 0.003016/step, 0.881007 hours remaining, 209.726562 MB of memory in use. ENERGY: 3948400 769.1245 2096.1040 1921.0447 122.1727 -206410.4787 17941.8505 0.0000 0.0000 34241.6485 -149318.5339 299.0408 -183560.1824 -149230.1451 298.6262 76.3394 110.1015 557382.4081 -7.8896 -7.7737 PRESSURE: 3948600 356.873 -9.91824 125.376 -9.91826 289.209 138.699 125.376 138.698 260.049 GPRESSURE: 3948600 393.146 -8.84047 117.554 28.2281 332.547 90.258 154.874 194.787 268.812 PRESSAVG: 3948600 2.8332 10.1967 -24.6454 10.1967 -30.667 31.9092 -24.6454 31.9093 47.0612 GPRESSAVG: 3948600 1.70787 9.92293 -25.2442 9.31825 -29.2721 31.7818 -25.1114 33.0589 46.1933 TIMING: 3948600 CPU: 11876.3, 0.00295092/step Wall: 11876.3, 0.00295092/step, 0.861833 hours remaining, 210.226562 MB of memory in use. ENERGY: 3948600 727.5364 2140.5745 1924.1381 100.7331 -206890.2627 18298.6764 0.0000 0.0000 34246.7632 -149451.8409 299.0855 -183698.6041 -149359.4205 298.6457 302.0435 331.5016 556478.7020 6.4091 6.2097 PRESSURE: 3948800 -142.85 116.733 86.5132 116.733 -68.7242 85.7321 86.513 85.7322 -125.573 GPRESSURE: 3948800 -111.322 138.518 49.0669 121.478 -79.3819 169.599 30.8339 -8.4099 -50.3718 PRESSAVG: 3948800 66.6228 29.4044 22.1317 29.4044 -42.2929 70.6794 22.1316 70.6794 -23.567 GPRESSAVG: 3948800 66.0192 29.7403 22.9396 29.1198 -43.004 72.2364 23.8189 69.5792 -22.1558 TIMING: 3948800 CPU: 11876.9, 0.0029677/step Wall: 11876.9, 0.0029677/step, 0.866568 hours remaining, 210.226562 MB of memory in use. ENERGY: 3948800 707.7771 2099.0921 1943.6548 118.3892 -206157.3100 17672.2730 0.0000 0.0000 34132.4797 -149483.6440 298.0874 -183616.1237 -149390.7618 298.2844 -112.3826 -80.3586 558128.9738 0.2543 0.2864 PRESSURE: 3949000 -118.507 -195.278 -99.4632 -195.28 -17.2998 68.5575 -99.4639 68.5566 61.068 GPRESSURE: 3949000 -66.2357 -167.22 -92.6079 -171.923 15.9955 53.8639 -124.231 78.903 61.9423 PRESSAVG: 3949000 31.0172 -39.6553 -8.64928 -39.6553 -13.3043 30.0907 -8.64931 30.0907 -12.4766 GPRESSAVG: 3949000 31.1025 -41.2315 -7.6259 -38.9742 -13.2776 32.091 -10.5255 31.5072 -12.6168 TIMING: 3949000 CPU: 11877.5, 0.00297152/step Wall: 11877.5, 0.00297152/step, 0.867519 hours remaining, 210.226562 MB of memory in use. ENERGY: 3949000 781.1618 2113.8386 1943.2840 101.4710 -206603.6388 17933.7678 0.0000 0.0000 34394.2746 -149335.8412 300.3738 -183730.1157 -149243.7911 299.3691 -24.9128 3.9007 556871.4537 1.7454 1.7360 PRESSURE: 3949200 -267.341 -196.128 -146.147 -196.127 -265.45 -63.9633 -146.148 -63.9604 112.331 GPRESSURE: 3949200 -212.211 -151.65 -189.89 -294.296 -210.187 -41.3197 -143.84 -208.156 117.043 PRESSAVG: 3949200 -23.5755 13.272 -22.1641 13.272 46.0138 25.406 -22.1642 25.4059 34.9256 GPRESSAVG: 3949200 -23.3419 14.9193 -21.3055 12.7603 46.0736 25.2177 -21.6993 24.5385 34.8488 TIMING: 3949200 CPU: 11878.1, 0.00294267/step Wall: 11878.1, 0.00294267/step, 0.858934 hours remaining, 210.226562 MB of memory in use. ENERGY: 3949200 769.5181 2059.4713 1933.6664 104.3039 -206241.1844 17747.1134 0.0000 0.0000 34173.1925 -149453.9188 298.4430 -183627.1113 -149353.7013 299.4673 -140.1530 -101.7848 557332.7901 19.1213 19.1935 PRESSURE: 3949400 5.71697 11.955 264.313 11.955 -103.371 89.6055 264.313 89.6056 261.725 GPRESSURE: 3949400 38.7021 84.0394 317.983 -35.0213 -107.062 39.1018 185.13 96.6682 331.555 PRESSAVG: 3949400 -121.909 -44.088 -30.5203 -44.0881 49.4794 -28.6457 -30.5204 -28.6457 50.4643 GPRESSAVG: 3949400 -121.858 -43.6764 -31.7391 -43.4836 49.3202 -29.6726 -29.3381 -29.3215 50.9897 TIMING: 3949400 CPU: 11878.7, 0.00294637/step Wall: 11878.7, 0.00294637/step, 0.859849 hours remaining, 210.226562 MB of memory in use. ENERGY: 3949400 737.2940 2055.9895 1922.1997 107.2183 -206602.5598 17923.4315 0.0000 0.0000 34353.7900 -149502.6368 300.0202 -183856.4268 -149410.1254 298.5496 54.6905 87.7316 555987.0206 -7.3219 -7.1827 PRESSURE: 3949600 7.10887 33.5502 -99.0716 33.5511 -69.2154 -184.139 -99.0714 -184.138 73.7828 GPRESSURE: 3949600 85.9964 25.8675 -75.7126 79.2823 -23.3007 -204.785 -7.95189 -157.086 41.6785 PRESSAVG: 3949600 9.61202 25.6559 -10.0824 25.6559 36.5303 -22.1181 -10.0824 -22.1181 -8.78038 GPRESSAVG: 3949600 9.34516 26.1 -9.03078 25.1008 37.295 -22.3202 -9.43542 -20.6861 -9.33864 TIMING: 3949600 CPU: 11879.2, 0.00291561/step Wall: 11879.2, 0.00291561/step, 0.850709 hours remaining, 210.226562 MB of memory in use. ENERGY: 3949600 707.8532 2100.1435 1920.2345 100.9257 -205768.4126 17602.7616 0.0000 0.0000 33891.5530 -149444.9410 295.9834 -183336.4941 -149351.2347 297.9620 3.8921 34.7914 556320.3432 12.4540 12.4338 PRESSURE: 3949800 -26.4094 -107.873 38.3353 -107.874 -61.1189 -130.347 38.3356 -130.347 121.367 GPRESSURE: 3949800 -14.9031 -93.0439 -21.8212 -151.968 9.27151 -134.588 1.43364 -106.141 136.193 PRESSAVG: 3949800 -18.1421 -35.2514 -30.7474 -35.2514 21.8272 -80.8349 -30.7474 -80.835 -18.2041 GPRESSAVG: 3949800 -17.9613 -36.7967 -32.3608 -35.0572 21.424 -81.5009 -31.4754 -79.1199 -18.2195 TIMING: 3949800 CPU: 11879.8, 0.00292474/step Wall: 11879.8, 0.00292474/step, 0.853212 hours remaining, 210.226562 MB of memory in use. ENERGY: 3949800 726.4837 2088.9018 1945.0614 110.4369 -206133.1480 17697.1728 0.0000 0.0000 34192.4925 -149372.5989 298.6115 -183565.0914 -149273.5765 299.2450 11.2794 43.5206 556209.7938 -4.8396 -4.9190 PRESSURE: 3950000 43.9111 -107.344 10.4857 -107.344 23.7431 9.49409 10.4855 9.49385 67.3277 GPRESSURE: 3950000 51.7854 -121.834 -17.761 -86.0295 101.829 -32.3762 3.06155 -18.4737 83.1391 PRESSAVG: 3950000 -7.92045 24.837 10.3919 24.837 30.4477 -38.1677 10.3919 -38.1677 -5.25176 GPRESSAVG: 3950000 -7.85065 26.9632 11.0466 25.0749 31.1397 -36.9711 8.77601 -40.3435 -5.96322 TIMING: 3950000 CPU: 11880.4, 0.00295058/step Wall: 11880.4, 0.00295058/step, 0.860587 hours remaining, 210.226562 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: 3950000 716.6990 2067.2841 1932.6198 111.1244 -206521.0526 17994.2690 0.0000 0.0000 34010.6854 -149688.3709 297.0238 -183699.0563 -149590.9121 298.2076 44.9940 78.9178 558530.6856 5.7585 5.7753 PRESSURE: 3950200 173.725 54.4695 -87.766 54.47 240.063 -90.8964 -87.7652 -90.8973 -28.1296 GPRESSURE: 3950200 202.212 -23.4275 -42.5643 113.05 233.506 -39.8986 -52.6545 -59.1878 45.0406 PRESSAVG: 3950200 -75.7217 29.1579 -31.7255 29.1579 20.2231 -42.9202 -31.7256 -42.9202 -13.6111 GPRESSAVG: 3950200 -75.9901 29.1236 -33.3597 28.6475 19.1354 -42.6727 -29.733 -41.1171 -12.4361 TIMING: 3950200 CPU: 11881, 0.00295425/step Wall: 11881, 0.00295425/step, 0.861491 hours remaining, 210.226562 MB of memory in use. ENERGY: 3950200 699.9111 2112.0428 1950.1166 106.4992 -206937.1209 18030.2331 0.0000 0.0000 34310.6010 -149727.7169 299.6430 -184038.3179 -149629.6677 297.5307 128.5530 160.2529 557128.1693 -23.0366 -23.0970 PRESSURE: 3950400 -58.0774 20.9998 24.9202 21 57.1599 120.386 24.9197 120.387 45.3698 GPRESSURE: 3950400 11.6916 0.514258 40.859 27.0502 57.1086 109.042 76.3445 95.87 66.1283 PRESSAVG: 3950400 35.8314 23.4495 9.33344 23.4496 22.2987 -8.07764 9.33348 -8.07765 -11.3483 GPRESSAVG: 3950400 35.7504 20.532 10.4749 24.4788 22.496 -10.6795 8.30057 -8.48073 -12.1351 TIMING: 3950400 CPU: 11881.6, 0.00294801/step Wall: 11881.6, 0.00294801/step, 0.859509 hours remaining, 210.226562 MB of memory in use. ENERGY: 3950400 751.3464 2121.6205 1904.1391 107.1786 -206610.4389 17945.8364 0.0000 0.0000 34041.8666 -149738.4514 297.2961 -183780.3180 -149636.9429 297.3370 14.8174 44.9762 557499.8845 15.5939 15.3704 PRESSURE: 3950600 67.9859 -25.6321 -61.0104 -25.6325 -44.3005 -105.928 -61.0092 -105.929 -83.0887 GPRESSURE: 3950600 63.393 15.5717 -39.6085 -15.1866 29.036 -220.092 -89.9566 -36.3447 -52.6698 PRESSAVG: 3950600 -37.1955 5.50133 4.69715 5.50137 38.8794 -26.3998 4.6971 -26.3998 -4.78248 GPRESSAVG: 3950600 -37.1663 7.37155 6.58847 6.79644 39.4356 -24.5992 5.47033 -28.2785 -5.17359 TIMING: 3950600 CPU: 11882.2, 0.00298484/step Wall: 11882.2, 0.00298484/step, 0.87008 hours remaining, 210.226562 MB of memory in use. ENERGY: 3950600 709.8901 2043.7566 1924.0544 108.1192 -206525.7253 17913.4105 0.0000 0.0000 34261.9682 -149564.5262 299.2183 -183826.4944 -149464.4103 298.1517 -19.8011 13.2530 558347.5289 -1.0329 -0.9681 PRESSURE: 3950800 86.7862 5.56243 -62.9576 5.56106 89.518 40.0174 -62.9579 40.0165 114.872 GPRESSURE: 3950800 121.816 29.5817 -51.3908 33.0137 105.565 37.7798 -43.9938 41.2565 153.837 PRESSAVG: 3950800 -51.5065 -1.83803 -52.7131 -1.83799 44.9068 16.0165 -52.7132 16.0164 13.9316 GPRESSAVG: 3950800 -49.9299 -2.17867 -52.7102 -2.87692 44.8554 14.6566 -53.632 16.4649 11.937 TIMING: 3950800 CPU: 11882.8, 0.00297942/step Wall: 11882.8, 0.00297943/step, 0.868337 hours remaining, 210.226562 MB of memory in use. ENERGY: 3950800 763.9133 2032.2308 1949.5019 107.7694 -206585.2980 18026.1736 0.0000 0.0000 34171.4022 -149534.3067 298.4274 -183705.7089 -149445.6949 298.1198 97.0587 127.0729 558146.1956 2.4440 2.2875 PRESSURE: 3951000 75.3859 -59.2423 -30.2148 -59.2408 -5.41746 -118.382 -30.2133 -118.381 -201.466 GPRESSURE: 3951000 47.4697 -54.1401 10.9153 -14.1077 58.8839 -81.9395 -121.096 -104.25 -140.728 PRESSAVG: 3951000 100.488 -9.16521 -10.1891 -9.16523 -41.4515 22.975 -10.1891 22.9751 -45.1455 GPRESSAVG: 3951000 100.275 -9.83693 -11.2985 -9.64845 -42.4967 23.0825 -9.37771 23.5497 -43.5412 TIMING: 3951000 CPU: 11883.4, 0.00298191/step Wall: 11883.4, 0.00298191/step, 0.868894 hours remaining, 210.226562 MB of memory in use. ENERGY: 3951000 758.3931 2071.3699 1938.4620 122.2655 -206358.7636 17983.0257 0.0000 0.0000 34150.5297 -149334.7176 298.2451 -183485.2473 -149246.8737 298.1034 -43.8325 -11.4581 558482.6698 4.6302 4.7455 PRESSURE: 3951200 -293.957 -32.6095 149.216 -32.6089 -360.589 83.8572 149.217 83.8597 -138.233 GPRESSURE: 3951200 -225.146 -58.7718 117.175 36.663 -277.592 65.1218 147.376 116.834 -194.352 PRESSAVG: 3951200 10.9781 -8.67696 20.5995 -8.67695 -32.6181 -55.2128 20.5996 -55.2126 4.86057 GPRESSAVG: 3951200 9.49493 -8.79204 19.8357 -8.49973 -32.0277 -53.3412 21.1921 -55.6555 6.05389 TIMING: 3951200 CPU: 11884, 0.00299118/step Wall: 11884, 0.00299118/step, 0.871431 hours remaining, 210.226562 MB of memory in use. ENERGY: 3951200 745.7848 2061.0948 1934.3318 111.7832 -206280.0777 17629.4598 0.0000 0.0000 34474.5189 -149323.1044 301.0745 -183797.6233 -149225.0320 299.1953 -264.2598 -232.3633 558758.6782 -5.5931 -5.4929 PRESSURE: 3951400 259.611 19.8691 -161.92 19.8699 -109.675 -87.4375 -161.92 -87.4375 -55.5183 GPRESSURE: 3951400 240.332 3.11069 -138.113 135.377 -49.2294 -3.75394 -149.998 -48.8818 -7.29729 PRESSAVG: 3951400 38.7674 20.2827 2.90881 20.2826 -7.80037 -66.3273 2.90865 -66.3273 -29.2405 GPRESSAVG: 3951400 39.2717 19.6995 2.41978 21.0485 -7.44348 -67.2159 2.83743 -65.9006 -30.334 TIMING: 3951400 CPU: 11884.6, 0.00296927/step Wall: 11884.6, 0.00296927/step, 0.864882 hours remaining, 210.351562 MB of memory in use. ENERGY: 3951400 762.1064 2083.4650 1937.4987 101.6337 -206442.3933 17968.0010 0.0000 0.0000 34417.7851 -149171.9034 300.5791 -183589.6886 -149072.5534 298.7662 31.4724 61.2685 557243.1205 0.5755 0.4981 PRESSURE: 3951600 297.625 173.434 -129.641 173.434 189.622 -7.21098 -129.64 -7.21354 172.546 GPRESSURE: 3951600 355.829 120.757 -58.9818 226.408 195.472 -2.45523 -90.9735 -21.8029 211.545 PRESSAVG: 3951600 -12.5349 36.9784 20.2235 36.9784 -57.9841 0.786117 20.2234 0.786113 73.0744 GPRESSAVG: 3951600 -12.4206 40.1758 20.5153 36.5067 -58.7061 2.93751 21.066 -0.43971 73.6665 TIMING: 3951600 CPU: 11885.2, 0.00298305/step Wall: 11885.2, 0.00298305/step, 0.86873 hours remaining, 210.351562 MB of memory in use. ENERGY: 3951600 744.7916 2086.0379 1949.0705 107.2067 -206650.7585 18224.6804 0.0000 0.0000 34216.6423 -149322.3291 298.8224 -183538.9715 -149229.3077 298.7948 219.9309 254.2820 556711.7787 0.8518 0.8466 PRESSURE: 3951800 -128.167 -128.239 -44.2845 -128.239 -198.754 -18.9687 -44.2841 -18.9691 -76.5036 GPRESSURE: 3951800 -88.1062 -125.641 -134.326 -146.589 -174.363 0.266037 -16.8818 -11.4682 -45.737 PRESSAVG: 3951800 18.138 -4.50423 2.42252 -4.50423 -47.1296 17.9584 2.42249 17.9584 -20.2815 GPRESSAVG: 3951800 17.2327 -4.55074 1.92823 -3.52342 -46.8732 14.8118 2.55727 19.2232 -19.7342 TIMING: 3951800 CPU: 11885.8, 0.00295626/step Wall: 11885.8, 0.00295626/step, 0.860764 hours remaining, 210.351562 MB of memory in use. ENERGY: 3951800 778.7520 2064.0861 1945.0472 111.3887 -205986.6995 17642.3679 0.0000 0.0000 34216.7195 -149228.3382 298.8231 -183445.0576 -149135.5588 298.2089 -134.4748 -102.7354 557838.6184 -16.4244 -16.4582 PRESSURE: 3952000 241.036 22.6831 -22.2293 22.6848 208.858 9.23136 -22.2303 9.2306 218.304 GPRESSURE: 3952000 251.597 83.1257 24.6621 -1.099 280.388 55.3998 -68.4284 -9.16147 220.956 PRESSAVG: 3952000 -2.42047 -0.652883 3.97065 -0.65293 9.48402 -39.9939 3.97071 -39.994 -20.6283 GPRESSAVG: 3952000 -2.51815 -3.23501 3.92446 -1.22564 9.41769 -41.1529 0.770464 -38.2951 -20.5157 TIMING: 3952000 CPU: 11886.4, 0.00294022/step Wall: 11886.4, 0.00294022/step, 0.855929 hours remaining, 210.351562 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: 3952000 729.0726 2066.0381 1931.5937 107.4111 -206371.8502 18124.8959 0.0000 0.0000 34300.7334 -149112.1052 299.5568 -183412.8386 -149015.1594 299.3773 222.7329 250.9801 556210.1875 -4.5216 -4.5387 PRESSURE: 3952200 -353.794 -82.9394 -49.884 -82.9387 -67.8556 -79.5236 -49.8829 -79.5231 -208.989 GPRESSURE: 3952200 -311.611 14.18 -64.0635 -164.048 -41.8555 -101.77 -56.2112 -115.038 -173.924 PRESSAVG: 3952200 11.5865 -41.6936 -10.7724 -41.6937 -7.32738 -35.4808 -10.7724 -35.4807 -58.1534 GPRESSAVG: 3952200 12.7302 -40.635 -9.24833 -42.6603 -8.59683 -34.9251 -10.2922 -35.7115 -57.9466 TIMING: 3952200 CPU: 11886.9, 0.00293897/step Wall: 11886.9, 0.00293897/step, 0.855404 hours remaining, 210.351562 MB of memory in use. ENERGY: 3952200 760.6330 2073.5484 1927.9399 123.4283 -205959.5794 17630.1062 0.0000 0.0000 34404.5327 -149039.3910 300.4633 -183443.9237 -148941.9446 299.9297 -210.2127 -175.7968 558123.8335 -17.9648 -17.9378 LDB: ============= START OF LOAD BALANCING ============== 11890.5 LDB: ============== END OF LOAD BALANCING =============== 11890.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11890.5 LDB: ============= START OF LOAD BALANCING ============== 11890.8 LDB: Largest compute 4773 load 0.025113 is 21.2% of average load 0.118279 LDB: Average compute 0.001714 is 1.4% of average load 0.118279 LDB: TIME 11890.8 LOAD: AVG 0.118279 MAX 0.21026 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.129 MB LDB: TIME 11890.8 LOAD: AVG 0.118279 MAX 0.21026 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: TIME 11890.8 LOAD: AVG 0.118279 MAX 0.21026 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11890.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11890.8 PRESSURE: 3952400 -149.505 -78.6781 -33.6093 -78.6787 -176.866 8.16176 -33.6099 8.16142 260.495 GPRESSURE: 3952400 -149.503 -36.6846 -65.4116 -63.445 -76.4633 -28.9604 -14.9682 42.1967 281.058 PRESSAVG: 3952400 10.3539 -17.57 -46.5369 -17.57 3.96595 -26.2033 -46.5369 -26.2033 16.5345 GPRESSAVG: 3952400 10.1793 -17.0984 -46.5409 -14.9275 5.34208 -26.4135 -46.8181 -27.3222 15.6901 TIMING: 3952400 CPU: 11887.5, 0.00300559/step Wall: 11887.5, 0.00300559/step, 0.874627 hours remaining, 209.960938 MB of memory in use. ENERGY: 3952400 765.0284 2043.6267 1944.1587 113.1186 -206161.5625 17884.0200 0.0000 0.0000 34471.2914 -148940.3186 301.0464 -183411.6100 -148837.3895 300.0666 -21.9586 18.3638 558387.1858 10.2848 10.4038 PRESSURE: 3952600 -93.5739 -29.5582 -201.588 -29.5578 37.646 57.0468 -201.588 57.0469 0.524972 GPRESSURE: 3952600 -68.905 41.4897 -168.736 -57.2332 47.9935 12.7305 -229.628 96.6827 69.3238 PRESSAVG: 3952600 15.1975 -26.238 -58.242 -26.238 2.90026 6.98467 -58.242 6.9847 -20.7983 GPRESSAVG: 3952600 15.2564 -27.9232 -57.9516 -25.4664 2.40797 7.30031 -57.4885 7.92443 -19.6414 TIMING: 3952600 CPU: 11888.1, 0.0029899/step Wall: 11888.1, 0.0029899/step, 0.869896 hours remaining, 210.164062 MB of memory in use. ENERGY: 3952600 727.7827 2104.5360 1962.8749 105.7852 -206265.9214 17904.0117 0.0000 0.0000 34674.2969 -148786.6339 302.8193 -183460.9308 -148691.7342 300.8991 -18.4676 16.1375 558316.5955 -0.9002 -0.6590 PRESSURE: 3952800 43.6812 -82.4695 4.52553 -82.4684 -182.285 -137.699 4.52582 -137.7 -22.6828 GPRESSURE: 3952800 94.5522 -131.429 73.1765 -15.8419 -149.595 -149.241 -7.70419 -110.736 -14.6644 PRESSAVG: 3952800 11.7468 -9.86928 -66.7357 -9.8693 32.7132 -22.3859 -66.7357 -22.3858 -49.2931 GPRESSAVG: 3952800 10.8037 -8.74696 -66.8271 -11.7129 33.6185 -23.5861 -67.5336 -21.7115 -49.4657 TIMING: 3952800 CPU: 11888.7, 0.00295458/step Wall: 11888.7, 0.00295458/step, 0.859455 hours remaining, 210.164062 MB of memory in use. ENERGY: 3952800 746.8194 2132.0832 1922.3260 125.0030 -206180.8059 17776.7306 0.0000 0.0000 34534.9237 -148942.9201 301.6021 -183477.8437 -148842.1494 300.8945 -53.7620 -23.2357 557111.0506 -1.6110 -1.6812 PRESSURE: 3953000 -38.4381 81.5342 -102.077 81.5331 -49.1071 -5.91974 -102.076 -5.91987 -136.718 GPRESSURE: 3953000 -52.0533 106.158 -98.6063 146.283 32.1472 -68.6547 -185.932 -42.4232 -109.176 PRESSAVG: 3953000 12.4081 8.35278 -4.57411 8.35284 17.8868 -75.6413 -4.57408 -75.6413 -4.01647 GPRESSAVG: 3953000 13.5755 8.1848 -4.13908 7.84707 17.9381 -75.5765 -3.93835 -74.0717 -5.86646 TIMING: 3953000 CPU: 11889.3, 0.00295315/step Wall: 11889.3, 0.00295315/step, 0.858874 hours remaining, 210.164062 MB of memory in use. ENERGY: 3953000 733.0480 2100.6448 1949.0906 116.8476 -206226.4807 17922.9771 0.0000 0.0000 34492.9717 -148910.9009 301.2357 -183403.8726 -148812.9866 300.8210 -74.7543 -43.0273 558267.5824 8.7595 8.5491 PRESSURE: 3953200 -164.002 -203.568 -77.2695 -203.569 49.4166 -26.1245 -77.2701 -26.124 -269.477 GPRESSURE: 3953200 -148.345 -203.113 -80.7591 -152.354 87.252 -29.459 -104.209 20.0416 -235.85 PRESSAVG: 3953200 -11.4762 30.9168 -10.565 30.9168 30.9581 43.713 -10.5651 43.713 5.07507 GPRESSAVG: 3953200 -12.415 31.1612 -12.0187 30.8469 30.7451 44.4399 -10.1705 43.6866 5.82403 TIMING: 3953200 CPU: 11889.9, 0.00299087/step Wall: 11889.9, 0.00299087/step, 0.869679 hours remaining, 210.164062 MB of memory in use. ENERGY: 3953200 721.7289 2069.5084 1923.5344 107.4511 -205829.1196 17492.8649 0.0000 0.0000 34566.0180 -148948.0141 301.8736 -183514.0321 -148844.0691 300.2053 -128.0208 -98.9808 559169.5876 8.1857 8.0514 PRESSURE: 3953400 -154.721 81.4523 -25.3269 81.4531 -192.765 -168.602 -25.3271 -168.603 186.8 GPRESSURE: 3953400 -90.1846 123.539 -52.6922 114.584 -161.958 -190.605 -108.727 -147.614 184.827 PRESSAVG: 3953400 38.9705 7.15695 1.25767 7.15692 -4.39306 48.652 1.25768 48.6522 -6.13283 GPRESSAVG: 3953400 38.7295 6.44597 0.300592 7.15427 -5.09624 52.0707 0.972963 45.0048 -4.8886 TIMING: 3953400 CPU: 11890.5, 0.00299192/step Wall: 11890.5, 0.00299192/step, 0.869818 hours remaining, 210.164062 MB of memory in use. ENERGY: 3953400 750.1000 2079.1361 1944.8731 106.6604 -206127.3450 17758.2793 0.0000 0.0000 34470.7506 -149017.5454 301.0416 -183488.2961 -148921.0961 300.2401 -53.5620 -22.4384 558818.2140 9.4815 9.5815 PRESSURE: 3953600 -112.367 -216.922 -77.2554 -216.923 -240.06 -27.6492 -77.255 -27.6499 -241.004 GPRESSURE: 3953600 -98.0556 -308.256 -116.297 -111.433 -228.16 59.8112 14.0235 -59.6009 -166.179 PRESSAVG: 3953600 15.8514 -6.03388 -40.9395 -6.03386 -40.0226 -2.49973 -40.9394 -2.49982 50.2731 GPRESSAVG: 3953600 16.3604 -5.75842 -40.1662 -5.15803 -38.3337 -4.08888 -41.6464 -2.02433 48.7004 TIMING: 3953600 CPU: 11891.1, 0.0029822/step Wall: 11891.1, 0.0029822/step, 0.866825 hours remaining, 210.164062 MB of memory in use. ENERGY: 3953600 734.6607 2020.9128 1959.8235 108.4537 -205871.5980 17575.3988 0.0000 0.0000 34247.2435 -149225.1050 299.0897 -183472.3485 -149123.2829 299.5740 -197.8102 -164.1315 558604.7187 8.7006 8.9090 PRESSURE: 3953800 -297.688 -57.1006 -29.608 -57.1009 64.5656 44.0679 -29.6075 44.0689 153.589 GPRESSURE: 3953800 -266.94 -62.7371 -43.5279 -44.6945 82.818 1.95895 -44.9825 34.1568 202.21 PRESSAVG: 3953800 -36.148 -28.3384 -15.3792 -28.3384 23.4906 -54.1913 -15.3793 -54.1913 -25.2927 GPRESSAVG: 3953800 -36.6267 -26.7505 -13.1135 -29.1688 23.5271 -53.3117 -15.1025 -53.9148 -24.2293 TIMING: 3953800 CPU: 11891.7, 0.00295676/step Wall: 11891.7, 0.00295676/step, 0.859268 hours remaining, 210.164062 MB of memory in use. ENERGY: 3953800 733.3226 2057.4593 1960.1371 100.8197 -205961.4458 17831.1552 0.0000 0.0000 34103.2398 -149175.3122 297.8321 -183278.5520 -149081.5020 299.9808 -26.5111 6.0293 558146.3338 -12.6500 -12.4429 PRESSURE: 3954000 -268.541 -63.7364 63.7744 -63.7365 -145.486 -107.64 63.7742 -107.64 67.9125 GPRESSURE: 3954000 -229.062 -80.8597 71.1186 -79.1062 -117.847 -111.578 38.4602 -139.067 93.6998 PRESSAVG: 3954000 -106.831 28.4944 -10.5407 28.4945 106.221 8.59345 -10.5406 8.59337 47.1109 GPRESSAVG: 3954000 -105.832 27.6932 -9.0085 31.1434 104.724 6.68187 -10.8162 9.26734 47.3456 TIMING: 3954000 CPU: 11892.3, 0.00297656/step Wall: 11892.3, 0.00297656/step, 0.864857 hours remaining, 210.457031 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: 3954000 747.8538 2098.5430 1934.9325 98.0685 -205998.2159 17630.6999 0.0000 0.0000 34288.5816 -149199.5366 299.4507 -183488.1182 -149107.9349 299.2224 -115.3716 -84.4030 557568.3708 15.5004 15.4124 PRESSURE: 3954200 96.1792 -124.792 -18.6729 -124.792 81.3173 -20.9557 -18.6735 -20.955 -34.0572 GPRESSURE: 3954200 82.5046 -88.3673 61.7254 -134.416 176.451 -1.27765 -37.5335 -1.56605 -23.1197 PRESSAVG: 3954200 3.08576 -9.09961 -18.718 -9.09959 55.2252 26.8264 -18.718 26.8264 -80.9125 GPRESSAVG: 3954200 2.75386 -8.05529 -24.0624 -11.9156 56.6488 28.4557 -16.7545 25.898 -82.7645 TIMING: 3954200 CPU: 11892.9, 0.00296577/step Wall: 11892.9, 0.00296577/step, 0.861555 hours remaining, 210.457031 MB of memory in use. ENERGY: 3954200 725.1793 2061.8157 1961.8607 111.6787 -206285.5691 17935.2073 0.0000 0.0000 34466.6568 -149023.1707 301.0059 -183489.8275 -148925.7564 300.2848 47.8131 78.6119 558307.9456 -7.5338 -7.7873 PRESSURE: 3954400 -472.048 -262.7 117.745 -262.7 -133.259 146.133 117.746 146.133 -5.97643 GPRESSURE: 3954400 -407.951 -159.051 80.84 -276.938 -91.2833 194.328 87.122 142.113 -17.6183 PRESSAVG: 3954400 -32.7898 -47.7912 3.79487 -47.7913 16.3342 3.94854 3.79495 3.94869 35.5198 GPRESSAVG: 3954400 -34.3755 -50.0485 5.29092 -44.7488 16.6369 5.37234 3.05646 4.44833 36.4004 TIMING: 3954400 CPU: 11893.5, 0.00300912/step Wall: 11893.5, 0.00300912/step, 0.873982 hours remaining, 210.457031 MB of memory in use. ENERGY: 3954400 772.4695 2059.8634 1951.5067 103.3378 -205964.2534 17571.7434 0.0000 0.0000 34446.5234 -149058.8093 300.8301 -183505.3327 -148962.7691 299.7037 -203.7612 -172.2843 558796.6971 6.3547 6.2206 PRESSURE: 3954600 -255.171 -12.9063 -7.01014 -12.9067 -181.011 -24.0412 -7.00924 -24.0406 -222.74 GPRESSURE: 3954600 -252.351 -49.5113 -13.1365 -15.0169 -110.855 3.97477 63.2149 -53.1066 -199.53 PRESSAVG: 3954600 20.6768 -36.9491 22.5271 -36.9491 -33.1728 2.48518 22.5272 2.4851 10.1818 GPRESSAVG: 3954600 21.3033 -35.6766 22.6057 -37.4277 -34.8297 0.30503 22.1002 4.59028 11.0796 TIMING: 3954600 CPU: 11894.1, 0.00300434/step Wall: 11894.1, 0.00300434/step, 0.872427 hours remaining, 210.457031 MB of memory in use. ENERGY: 3954600 758.4076 2106.9678 1928.5171 108.9402 -205871.8370 17566.3663 0.0000 0.0000 34232.1584 -149170.4797 298.9580 -183402.6380 -149069.8307 300.0282 -219.6408 -187.5785 558321.0722 -0.7714 -0.8156 PRESSURE: 3954800 13.3883 7.66618 -97.3811 7.6665 -310.226 91.8022 -97.3818 91.8019 -276.511 GPRESSURE: 3954800 15.6473 28.7177 -39.3194 -65.5384 -298.019 137.707 -61.7016 37.3385 -186.856 PRESSAVG: 3954800 -34.6798 1.74004 19.9886 1.74008 63.6807 -2.61677 19.9886 -2.61675 -36.1752 GPRESSAVG: 3954800 -33.5884 3.25869 21.6807 -0.255928 63.886 -4.02012 19.0867 -2.64077 -36.7827 TIMING: 3954800 CPU: 11894.7, 0.00298082/step Wall: 11894.7, 0.00298082/step, 0.86543 hours remaining, 210.457031 MB of memory in use. ENERGY: 3954800 749.3028 2122.5889 1958.9573 116.7174 -205958.6197 17631.7963 0.0000 0.0000 34318.3408 -149060.9161 299.7106 -183379.2569 -148971.3885 299.5485 -191.1162 -156.4093 557546.7882 -2.3914 -2.1617 PRESSURE: 3955000 93.5727 41.7373 87.7152 41.7381 300.534 64.0454 87.7146 64.0438 -214.468 GPRESSURE: 3955000 178.012 110.209 83.7198 -31.313 299.083 33.7491 170.568 154.427 -201.706 PRESSAVG: 3955000 16.7852 22.1632 32.2193 22.1633 39.404 21.3161 32.2193 21.3161 -44.3519 GPRESSAVG: 3955000 17.0731 20.8026 30.8092 20.1036 39.7877 21.8807 34.4483 18.8756 -45.3554 TIMING: 3955000 CPU: 11895.3, 0.00299944/step Wall: 11895.3, 0.00299944/step, 0.870672 hours remaining, 210.457031 MB of memory in use. ENERGY: 3955000 725.6072 2047.8777 1936.8105 106.9380 -206249.8779 17827.6596 0.0000 0.0000 34565.2112 -149039.7736 301.8666 -183604.9849 -148939.3951 300.4089 59.8795 91.7965 556413.9834 3.9458 3.8351 PRESSURE: 3955200 12.0973 -54.9756 -170.74 -54.9756 -0.634488 112.736 -170.741 112.736 309.383 GPRESSURE: 3955200 28.6536 -89.6519 -173.552 48.1821 49.3134 134.936 -191.764 96.1192 350.071 PRESSAVG: 3955200 -21.8279 33.9655 -33.3782 33.9655 61.6998 22.5622 -33.3782 22.5622 -60.1221 GPRESSAVG: 3955200 -22.5672 34.4461 -33.2821 38.8311 61.1856 23.4415 -35.8728 21.7411 -59.0466 TIMING: 3955200 CPU: 11895.9, 0.00300835/step Wall: 11895.9, 0.00300835/step, 0.873089 hours remaining, 210.457031 MB of memory in use. ENERGY: 3955200 700.9296 2111.5620 1961.9546 101.4841 -205990.8550 17737.6402 0.0000 0.0000 34331.8135 -149045.4711 299.8283 -183377.2846 -148945.7456 300.2541 106.9487 142.6794 556909.0256 -6.7501 -6.8094 PRESSURE: 3955400 78.2875 -24.4004 -22.7122 -24.3993 149.935 98.4085 -22.7106 98.4087 225.19 GPRESSURE: 3955400 95.6029 -85.1175 9.08975 -23.534 153.828 48.2231 -27.3449 44.4922 293.944 PRESSAVG: 3955400 -40.0824 -4.59053 12.3688 -4.59048 33.6806 28.4183 12.3689 28.4183 40.2509 GPRESSAVG: 3955400 -39.2914 -4.27586 10.6855 -7.251 32.6991 28.3735 14.0641 28.0147 39.8853 TIMING: 3955400 CPU: 11896.5, 0.00297564/step Wall: 11896.5, 0.00297564/step, 0.863431 hours remaining, 210.457031 MB of memory in use. ENERGY: 3955400 727.1437 2075.0214 1984.9869 115.9781 -206268.1648 17931.5969 0.0000 0.0000 34350.0086 -149083.4292 299.9872 -183433.4377 -148986.2304 299.8391 151.1374 181.1250 557723.9563 11.2830 11.0977 PRESSURE: 3955600 179.656 6.59144 -152.966 6.58944 -311.043 176.327 -152.965 176.328 173.071 GPRESSURE: 3955600 179.477 9.18357 -202.109 21.3474 -251.582 144.034 -159.81 272.137 204.425 PRESSAVG: 3955600 -34.7539 40.7267 -23.1864 40.7267 27.4817 18.5105 -23.1864 18.5103 -10.4634 GPRESSAVG: 3955600 -35.7462 40.768 -22.9487 40.434 29.0536 17.1067 -23.6377 21.0028 -10.3099 TIMING: 3955600 CPU: 11897.1, 0.00299525/step Wall: 11897.1, 0.00299525/step, 0.868956 hours remaining, 210.457031 MB of memory in use. ENERGY: 3955600 737.9040 2111.7346 1947.6785 111.3584 -206335.3942 17959.1278 0.0000 0.0000 34364.5194 -149103.0713 300.1139 -183467.5908 -149003.8222 300.2148 13.8944 44.1066 557000.7661 -5.9119 -5.6675 PRESSURE: 3955800 24.0947 47.4668 68.2925 47.466 79.9078 -110.947 68.2912 -110.948 -122.996 GPRESSURE: 3955800 8.33573 66.1157 35.2471 91.6529 131.365 -123.679 69.3551 -147.52 -67.0117 PRESSAVG: 3955800 18.8513 69.1277 5.7168 69.1278 -6.49272 9.37802 5.7168 9.37779 -10.9444 GPRESSAVG: 3955800 18.9267 69.9298 5.39341 70.7325 -6.42536 9.38872 3.68235 8.16198 -11.6568 TIMING: 3955800 CPU: 11897.7, 0.00300945/step Wall: 11897.7, 0.00300945/step, 0.872907 hours remaining, 210.457031 MB of memory in use. ENERGY: 3955800 729.5197 2116.0953 1911.4313 110.1961 -206268.4388 17898.1899 0.0000 0.0000 34301.9165 -149201.0900 299.5672 -183503.0065 -149103.1686 299.9637 -6.3313 24.2296 557843.8286 0.4714 0.2815 PRESSURE: 3956000 -329.267 -27.2864 132.98 -27.2875 -188.037 102.38 132.98 102.38 -76.6715 GPRESSURE: 3956000 -253.042 -29.9176 76.6575 -30.3185 -170.541 107.394 120.744 81.561 -68.4143 PRESSAVG: 3956000 -21.9655 12.5509 12.003 12.551 62.3041 -44.8108 12.0029 -44.8108 0.134646 GPRESSAVG: 3956000 -21.3765 11.7631 12.0645 11.5305 62.3594 -44.1305 14.6625 -44.8114 -0.664819 TIMING: 3956000 CPU: 11898.3, 0.00302116/step Wall: 11898.3, 0.00302116/step, 0.876137 hours remaining, 210.457031 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: 3956000 722.7058 2073.3122 1928.3090 112.7500 -205754.4274 17464.3368 0.0000 0.0000 34300.9788 -149152.0348 299.5590 -183453.0136 -149050.9657 299.9348 -197.9918 -163.9991 558001.5626 13.4911 13.4394 PRESSURE: 3956200 85.6764 107.222 -60.3532 107.222 -282.569 44.2573 -60.3532 44.2569 -96.8674 GPRESSURE: 3956200 128.002 112.898 -111.563 44.1338 -206.448 -22.4472 -7.87045 48.2571 -117.727 PRESSAVG: 3956200 25.675 46.9564 2.78285 46.9563 -24.2387 -46.8559 2.78296 -46.8558 25.4846 GPRESSAVG: 3956200 24.6489 45.8223 5.04013 47.1528 -24.5785 -46.3673 2.23939 -47.1524 26.8516 TIMING: 3956200 CPU: 11898.9, 0.00298736/step Wall: 11898.9, 0.00298736/step, 0.866168 hours remaining, 210.457031 MB of memory in use. ENERGY: 3956200 752.8797 2061.0873 1951.2315 112.2820 -206334.1237 17777.7553 0.0000 0.0000 34372.9452 -149305.9426 300.1875 -183678.8878 -149203.0699 299.1233 -97.9199 -65.3910 557176.9928 8.9736 8.9740 LDB: ============= START OF LOAD BALANCING ============== 11902.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11902.4 LDB: =============== DONE WITH MIGRATION ================ 11902.4 LDB: ============= START OF LOAD BALANCING ============== 11902.7 LDB: Largest compute 4773 load 0.024372 is 20.6% of average load 0.118269 LDB: Average compute 0.001713 is 1.4% of average load 0.118269 LDB: TIME 11902.7 LOAD: AVG 0.118269 MAX 0.210099 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.566 MB LDB: TIME 11902.7 LOAD: AVG 0.118269 MAX 0.210099 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.77 MB LDB: TIME 11902.7 LOAD: AVG 0.118269 MAX 0.210099 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.77 MB LDB: ============== END OF LOAD BALANCING =============== 11902.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11902.7 PRESSURE: 3956400 -131.426 -189.843 10.5684 -189.842 -73.2059 -57.509 10.5668 -57.5071 39.5245 GPRESSURE: 3956400 -89.9291 -157.793 -17.7356 -193.806 -20.0851 -86.5921 -33.1157 -25.5405 39.097 PRESSAVG: 3956400 -103.177 -4.50281 11.3289 -4.50285 -1.0265 -19.1601 11.3289 -19.1602 81.2176 GPRESSAVG: 3956400 -102.561 -5.18768 11.1704 -4.42937 -1.34979 -20.9276 8.91143 -18.3683 80.2493 TIMING: 3956400 CPU: 11899.5, 0.00303321/step Wall: 11899.5, 0.00303321/step, 0.879295 hours remaining, 209.769531 MB of memory in use. ENERGY: 3956400 740.2413 2091.6874 1899.2436 104.6146 -205908.9791 17793.1589 0.0000 0.0000 34008.4649 -149271.5685 297.0044 -183280.0334 -149170.0894 299.1604 -55.0358 -23.6391 558551.6883 -7.6620 -7.8872 PRESSURE: 3956600 -67.0547 122.917 -188.077 122.916 -5.61747 -43.1618 -188.078 -43.1612 -97.2077 GPRESSURE: 3956600 4.62918 184.595 -201.845 162.541 -8.78652 -109.465 -119.295 -68.7619 -74.4991 PRESSAVG: 3956600 50.7132 72.115 -11.8226 72.115 33.1451 47.4051 -11.8228 47.4051 -29.2756 GPRESSAVG: 3956600 50.6953 73.5409 -13.8508 71.9436 32.9653 47.8898 -10.099 46.9868 -29.2942 TIMING: 3956600 CPU: 11900.1, 0.00299751/step Wall: 11900.1, 0.00299751/step, 0.868779 hours remaining, 209.769531 MB of memory in use. ENERGY: 3956600 741.0315 2125.1062 1941.4198 96.5518 -206176.2980 17762.3124 0.0000 0.0000 34111.0630 -149398.8132 297.9004 -183509.8762 -149313.8786 298.8942 -56.6266 -26.2188 558182.5917 18.1942 18.1221 PRESSURE: 3956800 145.122 92.4178 7.7995 92.4187 -226.681 -56.9929 7.80038 -56.994 -207.605 GPRESSURE: 3956800 159.085 102.859 -62.741 130.016 -158.015 -28.5792 9.08841 -76.3288 -195.768 PRESSAVG: 3956800 -11.3632 4.73406 -77.6273 4.73412 15.1182 -20.0754 -77.6273 -20.0755 -16.2776 GPRESSAVG: 3956800 -11.3491 3.51147 -76.5437 5.78223 16.0247 -18.1463 -76.69 -20.7221 -16.8486 TIMING: 3956800 CPU: 11900.7, 0.00300626/step Wall: 11900.7, 0.00300626/step, 0.871148 hours remaining, 209.769531 MB of memory in use. ENERGY: 3956800 740.0726 2087.6344 1912.5170 104.1482 -206156.5712 17656.5791 0.0000 0.0000 34222.3339 -149433.2860 298.8722 -183655.6199 -149341.6600 298.4258 -96.3881 -64.8993 557334.1238 -4.1742 -4.0577 PRESSURE: 3957000 -198.095 -9.2771 72.649 -9.27739 60.6319 73.5379 72.6503 73.5355 -52.4198 GPRESSURE: 3957000 -136.379 52.343 -29.7872 -46.8108 110.155 73.4051 97.3785 78.5819 -64.0024 PRESSAVG: 3957000 59.8287 24.473 -55.4376 24.473 -23.2691 -16.8142 -55.4377 -16.8143 -19.8779 GPRESSAVG: 3957000 59.9976 26.9833 -56.3998 21.9993 -23.7434 -16.2795 -55.708 -15.1882 -19.523 TIMING: 3957000 CPU: 11901.3, 0.00302482/step Wall: 11901.3, 0.00302482/step, 0.876358 hours remaining, 209.769531 MB of memory in use. ENERGY: 3957000 743.6096 2110.3334 1958.2007 114.7873 -205781.6151 17573.4328 0.0000 0.0000 34192.6650 -149088.5863 298.6130 -183281.2513 -148992.0928 300.0364 -63.2942 -30.0756 556837.2894 5.5605 5.5771 PRESSURE: 3957200 28.7134 -22.0751 -147.167 -22.0753 122.148 -128.272 -147.168 -128.272 -3.86148 GPRESSURE: 3957200 89.6069 -32.303 -158.293 48.6632 124 -106.538 -181.743 -83.3956 35.4705 PRESSAVG: 3957200 -1.15483 -5.99304 -31.6825 -5.99302 69.9412 11.6366 -31.6826 11.6366 -26.5048 GPRESSAVG: 3957200 -1.09266 -7.60076 -29.7887 -5.12174 70.9429 9.26811 -32.042 13.6004 -27.3065 TIMING: 3957200 CPU: 11901.9, 0.00303013/step Wall: 11901.9, 0.00303013/step, 0.877727 hours remaining, 209.769531 MB of memory in use. ENERGY: 3957200 746.4879 2070.3578 1971.4856 117.4373 -206167.7821 17822.3723 0.0000 0.0000 34594.7551 -148844.8860 302.1246 -183439.6411 -148748.5528 300.0426 49.0001 83.0259 557099.4390 14.0939 14.1812 PRESSURE: 3957400 -49.2211 -57.0318 -180.083 -57.031 -94.3616 146.146 -180.083 146.147 29.0747 GPRESSURE: 3957400 -46.0533 -99.9603 -153.627 -62.1635 -42.5881 169.879 -175.549 139.65 75.8884 PRESSAVG: 3957400 -0.137246 5.33102 -90.1303 5.33106 26.0237 -24.5149 -90.1302 -24.5149 -29.4346 GPRESSAVG: 3957400 -0.679537 5.14565 -89.9758 5.26111 25.7612 -23.5106 -87.7942 -25.2944 -27.979 TIMING: 3957400 CPU: 11902.5, 0.00300973/step Wall: 11902.5, 0.00300973/step, 0.87165 hours remaining, 209.769531 MB of memory in use. ENERGY: 3957400 727.5650 2120.9598 1927.6757 117.4547 -205939.5110 17632.5035 0.0000 0.0000 34563.9000 -148849.4523 301.8551 -183413.3523 -148754.2793 300.9015 -38.1693 -4.2510 557062.6158 -1.1827 -0.9658 PRESSURE: 3957600 -163.701 -12.927 -205.978 -12.9268 -45.9218 -70.9852 -205.978 -70.986 -123.374 GPRESSURE: 3957600 -98.0044 -47.7846 -205.015 -30.2039 -29.2047 -120.337 -171.768 0.721812 -107.25 PRESSAVG: 3957600 33.809 0.229345 -58.4171 0.229299 -26.3848 -20.1402 -58.4172 -20.1403 -35.4907 GPRESSAVG: 3957600 34.9997 0.303124 -60.794 -0.510218 -27.1638 -21.2195 -57.4259 -20.2069 -36.2501 TIMING: 3957600 CPU: 11903.1, 0.0029628/step Wall: 11903.1, 0.0029628/step, 0.857894 hours remaining, 209.769531 MB of memory in use. ENERGY: 3957600 780.6367 2077.2807 1957.7301 110.0044 -205765.4124 17716.5080 0.0000 0.0000 34361.5546 -148761.6980 300.0880 -183123.2525 -148664.7620 300.3108 -110.9991 -78.1531 558683.2783 -9.3555 -9.4714 PRESSURE: 3957800 94.7604 189.242 16.5697 189.241 -336.835 25.6351 16.5691 25.6349 -69.803 GPRESSURE: 3957800 67.211 130.304 -118.652 203.566 -258.135 6.60402 48.1189 -8.3446 -25.8294 PRESSAVG: 3957800 -40.6715 3.32782 -24.3627 3.32791 -8.25773 -32.1715 -24.3627 -32.1714 50.4946 GPRESSAVG: 3957800 -42.2956 3.25058 -22.5999 2.78866 -9.14367 -30.9885 -27.1695 -32.2251 52.8021 TIMING: 3957800 CPU: 11903.7, 0.00298541/step Wall: 11903.7, 0.00298541/step, 0.864275 hours remaining, 209.769531 MB of memory in use. ENERGY: 3957800 736.2286 2111.3592 1982.7310 119.2764 -205413.9816 17352.2525 0.0000 0.0000 34421.1253 -148691.0087 300.6082 -183112.1339 -148599.6297 300.1033 -103.9593 -72.2513 557884.0453 0.5218 0.4543 PRESSURE: 3958000 -78.1712 35.153 -72.3662 35.1538 -7.26506 -5.79289 -72.3671 -5.79414 38.5375 GPRESSURE: 3958000 -62.9461 10.7936 -220.611 77.3144 18.893 17.6548 -40.0054 -111.267 84.1024 PRESSAVG: 3958000 -28.1133 -3.46779 -22.9272 -3.46778 23.7617 2.89349 -22.9272 2.89338 16.6434 GPRESSAVG: 3958000 -27.7128 -4.82607 -22.1331 -1.10326 24.2852 2.64491 -22.0009 0.720638 15.9917 TIMING: 3958000 CPU: 11904.3, 0.00299348/step Wall: 11904.3, 0.00299348/step, 0.866445 hours remaining, 209.769531 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: 3958000 777.1519 2075.0816 1944.5826 107.5958 -205980.6551 17715.4966 0.0000 0.0000 34572.4192 -148788.3273 301.9295 -183360.7466 -148692.1307 301.2031 -15.6329 13.3497 557511.0823 4.0972 4.1880 PRESSURE: 3958200 -222.586 122.215 139.688 122.214 -125.71 -87.8325 139.687 -87.8309 164.157 GPRESSURE: 3958200 -154.842 160.211 106.428 30.0902 -106.02 -66.9371 192.384 -120.545 175.367 PRESSAVG: 3958200 -53.5264 -33.7361 38.8452 -33.736 38.3388 -76.5362 38.8452 -76.5361 23.9632 GPRESSAVG: 3958200 -52.6185 -33.9871 39.8557 -34.511 37.9233 -76.6224 38.4195 -73.9465 23.2819 TIMING: 3958200 CPU: 11904.9, 0.0030225/step Wall: 11904.9, 0.0030225/step, 0.874677 hours remaining, 209.769531 MB of memory in use. ENERGY: 3958200 746.3672 2084.7458 1929.0775 107.7675 -205741.2557 17718.9017 0.0000 0.0000 34227.1296 -148927.2666 298.9140 -183154.3962 -148824.7336 300.5951 -61.3797 -28.4980 557952.4515 2.9252 2.8622 PRESSURE: 3958400 171.324 98.4238 15.9606 98.4223 26.1426 -81.4718 15.9604 -81.471 -57.5664 GPRESSURE: 3958400 241.369 173.709 29.8595 25.5856 75.5343 -9.31396 -73.4778 -69.9264 -80.0606 PRESSAVG: 3958400 15.8856 -43.2081 52.7212 -43.2082 9.06979 -64.6992 52.7212 -64.6992 -59.8115 GPRESSAVG: 3958400 15.8344 -40.7601 53.66 -44.0243 9.55125 -65.5373 51.7298 -64.0504 -60.0084 TIMING: 3958400 CPU: 11905.5, 0.00300264/step Wall: 11905.5, 0.00300264/step, 0.868765 hours remaining, 209.828125 MB of memory in use. ENERGY: 3958400 734.9462 2094.0451 1923.7830 117.1380 -206221.8409 17738.9025 0.0000 0.0000 34566.6585 -149046.3676 301.8792 -183613.0261 -148945.2392 299.8812 46.6334 78.9475 556276.0866 -11.6187 -11.5409 PRESSURE: 3958600 -115.651 -112.571 -13.0234 -112.572 -10.9969 -52.1316 -13.0232 -52.131 -443.352 GPRESSURE: 3958600 -96.4533 -76.2097 0.724372 -134.203 -20.2051 -66.7076 31.1232 12.8322 -362.73 PRESSAVG: 3958600 -49.3606 -12.9088 23.9959 -12.9088 -22.5886 -33.7459 23.9959 -33.7458 66.7019 GPRESSAVG: 3958600 -49.2394 -12.0269 22.3538 -11.8119 -21.8901 -32.8326 23.9374 -35.5394 65.9216 TIMING: 3958600 CPU: 11906.1, 0.00302273/step Wall: 11906.1, 0.00302273/step, 0.874409 hours remaining, 209.828125 MB of memory in use. ENERGY: 3958600 790.5070 2082.6343 1937.9143 112.8020 -205920.5724 17771.8771 0.0000 0.0000 34134.5580 -149090.2797 298.1056 -183224.8377 -148991.1522 299.3958 -189.9997 -159.7963 558714.2948 -1.7491 -1.7360 PRESSURE: 3958800 -386.724 -30.5815 -60.5564 -30.5805 -176.387 -10.8893 -60.5554 -10.889 0.945706 GPRESSURE: 3958800 -340.919 -83.7777 -57.0872 53.8497 -122.71 29.8712 -102.096 -63.7229 2.74219 PRESSAVG: 3958800 -32.5071 -8.62476 3.90507 -8.62467 0.970608 16.1635 3.90508 16.1635 87.1112 GPRESSAVG: 3958800 -32.0345 -10.7187 1.80984 -6.91613 0.262833 16.4786 5.75624 15.8906 87.3135 TIMING: 3958800 CPU: 11906.7, 0.00303275/step Wall: 11906.7, 0.00303275/step, 0.877139 hours remaining, 209.828125 MB of memory in use. ENERGY: 3958800 797.4186 2070.3490 1942.5159 119.6419 -205747.5052 17508.0435 0.0000 0.0000 34127.4801 -149182.0562 298.0438 -183309.5362 -149082.7130 299.7357 -187.3886 -153.6291 557736.7599 18.5249 18.5139 PRESSURE: 3959000 -163.805 71.6119 -26.9482 71.6118 92.5166 178.412 -26.9483 178.413 -28.2131 GPRESSURE: 3959000 -113.275 50.0229 -18.1755 160.624 84.4711 253.69 -84.2031 147.794 15.9387 PRESSAVG: 3959000 -40.4259 -2.23178 -30.7757 -2.23177 -32.734 36.3388 -30.7757 36.3388 77.8281 GPRESSAVG: 3959000 -41.3276 -3.1933 -28.5984 -3.50958 -33.5665 35.6261 -31.5531 37.7942 78.3874 TIMING: 3959000 CPU: 11907.3, 0.00301505/step Wall: 11907.3, 0.00301505/step, 0.871853 hours remaining, 209.828125 MB of memory in use. ENERGY: 3959000 796.6846 2108.4601 1941.3754 112.7646 -206560.4649 17989.3252 0.0000 0.0000 34368.3546 -149243.5004 300.1474 -183611.8550 -149147.2963 299.3820 -33.1670 -4.2884 557202.0212 1.5561 1.1644 PRESSURE: 3959200 -48.3542 -119.66 86.0411 -119.66 -60.4781 98.3055 86.0404 98.306 -222.409 GPRESSURE: 3959200 -54.0858 -28.0986 50.5491 -111.477 -2.94594 67.7608 90.8039 164.994 -178.23 PRESSAVG: 3959200 -41.1069 13.7267 -22.4649 13.7266 8.04025 50.1504 -22.4649 50.1505 51.5575 GPRESSAVG: 3959200 -41.8458 16.4113 -21.752 12.3441 8.52228 50.4853 -24.171 50.7995 52.5658 TIMING: 3959200 CPU: 11907.9, 0.00300241/step Wall: 11907.9, 0.00300241/step, 0.86803 hours remaining, 209.828125 MB of memory in use. ENERGY: 3959200 763.5189 2022.9300 1924.7853 116.7742 -206047.4464 17775.9993 0.0000 0.0000 34272.0915 -149171.3471 299.3067 -183443.4386 -149072.1295 298.7555 -110.4136 -78.4207 558711.3467 6.1636 6.4141 PRESSURE: 3959400 383.23 -19.4173 -22.9803 -19.4163 -80.8788 152.499 -22.9816 152.499 -219.846 GPRESSURE: 3959400 377.282 -56.9596 -26.0449 -32.1232 -54.0037 94.4448 -89.2573 192.75 -147.514 PRESSAVG: 3959400 8.65851 -2.60084 -11.3232 -2.60088 -35.8161 32.867 -11.3232 32.867 42.2014 GPRESSAVG: 3959400 9.05703 -2.84578 -11.5259 -1.71415 -35.5957 34.4824 -11.7451 30.049 42.0469 TIMING: 3959400 CPU: 11908.5, 0.00298081/step Wall: 11908.5, 0.00298081/step, 0.861621 hours remaining, 209.828125 MB of memory in use. ENERGY: 3959400 764.1671 2092.2695 1962.7564 115.7956 -206383.5091 17846.0236 0.0000 0.0000 34232.4759 -149370.0209 298.9607 -183602.4968 -149273.2458 298.9044 27.5020 58.5881 557265.9836 5.0146 5.1694 PRESSURE: 3959600 85.2488 -1.74515 -10.8002 -1.74615 -43.1096 -48.238 -10.8005 -48.2386 153.928 GPRESSURE: 3959600 68.9652 -53.8332 25.9681 -53.8753 22.5452 -36.135 -91.3711 -7.85667 192.094 PRESSAVG: 3959600 -4.83865 0.633785 -11.4031 0.633711 -29.844 10.4232 -11.4031 10.4233 13.548 GPRESSAVG: 3959600 -3.93981 0.907488 -9.69222 -0.15002 -29.2354 8.08697 -12.286 11.4658 12.3743 TIMING: 3959600 CPU: 11909.1, 0.00296709/step Wall: 11909.1, 0.00296709/step, 0.857489 hours remaining, 209.828125 MB of memory in use. ENERGY: 3959600 745.6076 2070.7946 1942.2621 103.1419 -206772.2417 18123.2017 0.0000 0.0000 34335.5743 -149451.6596 299.8611 -183787.2339 -149355.0924 298.9903 65.3556 94.5347 557351.0751 -7.0449 -6.9336 PRESSURE: 3959800 -92.7943 29.5951 -62.9334 29.5964 -78.2839 31.2749 -62.9323 31.2749 236.488 GPRESSURE: 3959800 -22.3358 52.3746 -117.252 15.6606 -86.5298 -54.0554 -99.1864 -4.1047 277.37 PRESSAVG: 3959800 32.2482 1.99516 1.52281 1.99514 -49.2554 -27.2772 1.52285 -27.2773 16.3519 GPRESSAVG: 3959800 31.4283 0.968305 -2.5018 2.0346 -49.1712 -26.9136 4.9691 -27.875 17.0165 TIMING: 3959800 CPU: 11909.7, 0.00298369/step Wall: 11909.7, 0.00298369/step, 0.862121 hours remaining, 209.828125 MB of memory in use. ENERGY: 3959800 746.8912 2066.0729 1936.5924 111.9726 -206624.7500 17931.6119 0.0000 0.0000 34420.4589 -149411.1501 300.6024 -183831.6090 -149312.6545 298.8671 21.8032 56.1680 557335.5224 -0.2184 -0.2421 PRESSURE: 3960000 43.7337 -20.8125 -2.16337 -20.8129 -65.6364 -153.029 -2.16299 -153.03 -296.236 GPRESSURE: 3960000 77.0814 74.7899 -24.2859 -0.104581 -49.2808 -154.751 -60.2402 -53.3731 -244.361 PRESSAVG: 3960000 -32.2822 0.552356 -3.94221 0.552379 35.4389 -13.9958 -3.94216 -13.9958 34.244 GPRESSAVG: 3960000 -32.5458 0.889269 -1.82863 1.10102 34.3544 -13.9104 -5.08515 -13.3132 35.179 TIMING: 3960000 CPU: 11910.3, 0.00295187/step Wall: 11910.3, 0.00295187/step, 0.852761 hours remaining, 209.828125 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: 3960000 729.7366 2104.9612 1925.2308 109.7471 -206391.6611 17876.7084 0.0000 0.0000 34342.3386 -149302.9384 299.9202 -183645.2770 -149205.0132 298.8654 -106.0462 -72.1868 557770.5398 12.4669 12.3292 PRESSURE: 3960200 -10.8074 14.3387 -151.723 14.3368 -293.182 -49.0185 -151.723 -49.0184 -184.646 GPRESSURE: 3960200 87.3567 -0.707774 -130.994 -4.10911 -287.875 -13.7244 -174.788 -9.20292 -206.382 PRESSAVG: 3960200 -1.06374 -8.25215 -21.4754 -8.25209 -80.7741 -33.7944 -21.4753 -33.7942 31.4968 GPRESSAVG: 3960200 -0.0701889 -8.19618 -21.4165 -8.91932 -78.771 -34.3836 -20.4578 -32.3407 28.8348 TIMING: 3960200 CPU: 11910.9, 0.0030038/step Wall: 11910.9, 0.0030038/step, 0.867596 hours remaining, 209.828125 MB of memory in use. ENERGY: 3960200 715.5629 2126.8575 1928.8956 115.0962 -206160.9208 17695.9913 0.0000 0.0000 34251.8390 -149326.6782 299.1298 -183578.5172 -149237.5755 299.6193 -162.8784 -135.6334 559400.9126 -16.7803 -16.6688 LDB: ============= START OF LOAD BALANCING ============== 11914.4 LDB: ============== END OF LOAD BALANCING =============== 11914.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11914.4 LDB: ============= START OF LOAD BALANCING ============== 11914.7 LDB: Largest compute 4773 load 0.024093 is 20.4% of average load 0.118318 LDB: Average compute 0.001711 is 1.4% of average load 0.118318 LDB: TIME 11914.7 LOAD: AVG 0.118318 MAX 0.209114 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.316 MB LDB: TIME 11914.7 LOAD: AVG 0.118318 MAX 0.209114 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.52 MB LDB: TIME 11914.7 LOAD: AVG 0.118318 MAX 0.209114 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.52 MB LDB: ============== END OF LOAD BALANCING =============== 11914.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11914.7 PRESSURE: 3960400 82.3594 -47.2645 -147.745 -47.2645 162.304 118.865 -147.745 118.865 181.106 GPRESSURE: 3960400 107.928 -34.8495 -113.498 -48.1966 224.377 92.0396 -199.541 15.2051 194.164 PRESSAVG: 3960400 52.1572 -36.2062 17.1016 -36.2061 -26.3195 41.1766 17.1015 41.1767 -1.0938 GPRESSAVG: 3960400 53.113 -36.5689 18.9804 -35.0074 -27.2432 43.7689 15.4718 40.8139 -0.839614 TIMING: 3960400 CPU: 11911.5, 0.00301359/step Wall: 11911.5, 0.00301359/step, 0.870259 hours remaining, 209.968750 MB of memory in use. ENERGY: 3960400 715.3079 2098.3476 1954.7389 113.3369 -206533.9485 17977.8420 0.0000 0.0000 34234.8535 -149439.5217 298.9815 -183674.3752 -149343.5200 299.3736 141.9229 175.4894 556532.7218 8.2480 8.3434 PRESSURE: 3960600 239.415 193.28 -21.1141 193.28 -36.0886 -39.5714 -21.113 -39.5719 18.3776 GPRESSURE: 3960600 262.463 150.903 -62.4401 203.335 -11.9425 -66.0476 -37.9427 33.4411 80.6994 PRESSAVG: 3960600 66.5167 -4.71412 13.3781 -4.71407 -53.8297 -35.8082 13.3783 -35.8083 -7.32938 GPRESSAVG: 3960600 64.2292 -2.73157 11.7015 -6.66556 -52.5062 -37.9241 13.0032 -36.5848 -6.11554 TIMING: 3960600 CPU: 11912.1, 0.00297806/step Wall: 11912.1, 0.00297806/step, 0.859832 hours remaining, 209.968750 MB of memory in use. ENERGY: 3960600 697.3511 2099.3667 1923.8760 118.4820 -206571.8995 17965.3735 0.0000 0.0000 34413.2719 -149354.1782 300.5397 -183767.4502 -149260.2640 299.8088 73.9015 110.4065 557350.7283 1.7859 1.8692 PRESSURE: 3960800 -141.565 75.0211 -0.382709 75.021 191.01 -19.7624 -0.383441 -19.7619 -40.2395 GPRESSURE: 3960800 -99.6954 144.572 -23.4395 133.304 195.644 -19.9249 70.4882 -9.1755 14.6414 PRESSAVG: 3960800 -3.01439 51.1647 17.7511 51.1647 46.8976 69.7457 17.7512 69.7457 -11.7307 GPRESSAVG: 3960800 -1.55038 51.6556 14.8643 50.9379 45.4211 70.9617 21.6349 69.7746 -11.3192 TIMING: 3960800 CPU: 11912.7, 0.00299314/step Wall: 11912.7, 0.00299314/step, 0.86402 hours remaining, 209.968750 MB of memory in use. ENERGY: 3960800 757.6002 2068.7499 1953.9906 96.4674 -206388.8461 17936.9599 0.0000 0.0000 34108.8063 -149466.2717 297.8807 -183575.0780 -149363.7255 299.0691 3.0688 36.8633 557417.8321 10.7175 10.8505 PRESSURE: 3961000 -94.8998 -109.812 64.4953 -109.811 -162.652 -170.045 64.497 -170.045 127.419 GPRESSURE: 3961000 -39.3442 -124.83 32.8387 -17.2218 -88.749 -191 81.1782 -216.135 96.7465 PRESSAVG: 3961000 16.3018 -50.8424 12.6353 -50.8424 8.47634 -35.2383 12.6353 -35.2383 -26.9421 GPRESSAVG: 3961000 15.7494 -52.7178 16.3567 -50.1661 9.40227 -36.531 9.49176 -34.4831 -27.2625 TIMING: 3961000 CPU: 11913.3, 0.00297902/step Wall: 11913.3, 0.00297902/step, 0.859777 hours remaining, 209.968750 MB of memory in use. ENERGY: 3961000 700.3700 2116.0909 1926.1477 125.9888 -206368.6425 17889.9964 0.0000 0.0000 34034.6417 -149575.4069 297.2330 -183610.0486 -149484.8243 298.1221 -43.3776 -10.4489 558219.5362 -0.7213 -0.7036 PRESSURE: 3961200 38.4865 82.891 -42.1749 82.8908 146.47 -8.85531 -42.1755 -8.85441 32.6094 GPRESSURE: 3961200 92.2385 55.456 24.6107 -1.25334 141.175 30.0471 -61.0731 -7.63934 86.6634 PRESSAVG: 3961200 -12.6869 -5.28706 49.1854 -5.2871 -12.0211 -2.17516 49.1853 -2.17507 17.6865 GPRESSAVG: 3961200 -14.3172 -5.81335 48.4337 -5.97928 -10.9149 -2.51938 48.4054 -0.643204 18.1877 TIMING: 3961200 CPU: 11913.9, 0.00299307/step Wall: 11913.9, 0.00299307/step, 0.863667 hours remaining, 209.968750 MB of memory in use. ENERGY: 3961200 749.8908 2121.9617 1914.7585 112.7341 -206422.0820 17948.3166 0.0000 0.0000 34050.8494 -149523.5709 297.3745 -183574.4203 -149428.5672 297.8120 72.5220 106.6924 557263.9741 -2.3405 -2.3481 PRESSURE: 3961400 -177.002 -88.873 65.6883 -88.8744 217.516 -93.7728 65.689 -93.7715 184.165 GPRESSURE: 3961400 -120.126 -88.2127 173.294 -117.452 280.243 -146.483 -19.1139 -107.395 167.087 PRESSAVG: 3961400 7.35915 -39.5453 17.4417 -39.5453 8.96007 -24.6477 17.4418 -24.6478 26.479 GPRESSAVG: 3961400 8.37049 -38.1964 18.139 -40.2421 7.77241 -23.4964 18.6227 -26.3055 26.2701 TIMING: 3961400 CPU: 11914.5, 0.00298306/step Wall: 11914.5, 0.00298306/step, 0.860613 hours remaining, 209.968750 MB of memory in use. ENERGY: 3961400 717.7436 2127.5284 1943.9760 116.7477 -206444.7442 17920.7784 0.0000 0.0000 34155.5910 -149462.3791 298.2893 -183617.9701 -149358.3991 298.2934 74.8929 109.0678 557092.4466 14.2661 14.1377 PRESSURE: 3961600 284.822 1.49985 125.803 1.50035 -169.845 -126.38 125.803 -126.38 -344.687 GPRESSURE: 3961600 288.824 30.9169 179.179 -9.28617 -129.456 -50.0723 91.0886 -138.458 -300.565 PRESSAVG: 3961600 31.4697 -15.7957 1.82435 -15.7958 -0.0564559 21.0744 1.82428 21.0744 -40.5828 GPRESSAVG: 3961600 32.1746 -16.488 1.17458 -14.7878 -0.312339 22.5428 1.99636 20.8365 -40.7653 TIMING: 3961600 CPU: 11915.1, 0.00297445/step Wall: 11915.1, 0.00297445/step, 0.857963 hours remaining, 209.968750 MB of memory in use. ENERGY: 3961600 714.0175 2149.9646 1941.5877 123.4060 -205722.6634 17577.6312 0.0000 0.0000 34061.4641 -149154.5921 297.4672 -183216.0562 -149060.8224 299.5562 -76.5699 -47.0660 557155.8285 -3.0565 -2.9677 PRESSURE: 3961800 202.779 -49.9564 12.0072 -49.9564 -149.588 -25.7398 12.0056 -25.7415 83.6861 GPRESSURE: 3961800 249.742 -52.3211 63.8498 -23.7198 -118.331 -39.8238 -17.9735 -36.8754 105.759 PRESSAVG: 3961800 17.3784 -15.9252 43.7563 -15.9251 -14.1535 22.8597 43.7563 22.8596 -15.9642 GPRESSAVG: 3961800 17.3064 -15.1891 43.8304 -16.3903 -14.0841 22.8208 42.2058 22.1243 -16.4226 TIMING: 3961800 CPU: 11915.7, 0.00300932/step Wall: 11915.7, 0.00300932/step, 0.867854 hours remaining, 209.968750 MB of memory in use. ENERGY: 3961800 744.5678 2097.2114 1943.6957 104.7217 -206464.7733 18046.9226 0.0000 0.0000 34419.2297 -149108.4243 300.5917 -183527.6540 -149007.4558 299.6177 45.6254 79.0565 557220.8856 -4.2464 -4.4001 PRESSURE: 3962000 6.01675 164.09 -87.6116 164.09 52.4581 -9.33237 -87.6118 -9.33367 -114.52 GPRESSURE: 3962000 -3.13832 207.724 -141.283 117.122 97.3589 44.2535 -21.2077 -4.78731 -51.1114 PRESSAVG: 3962000 13.0556 40.7173 -8.94024 40.7172 -34.8494 -16.0812 -8.94019 -16.0811 3.3386 GPRESSAVG: 3962000 12.3797 40.0228 -12.0237 40.7651 -34.5318 -19.2078 -7.08928 -14.7564 4.43311 TIMING: 3962000 CPU: 11916.3, 0.00299197/step Wall: 11916.3, 0.00299197/step, 0.862684 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: 3962000 765.0823 2099.2136 1928.5610 109.7618 -206197.8602 17972.4691 0.0000 0.0000 34166.2953 -149156.4772 298.3828 -183322.7725 -149061.5255 299.6465 -18.6817 14.3697 557411.0383 -6.1517 -5.9063 PRESSURE: 3962200 -23.5894 -252.246 -85.4673 -252.247 159.667 -54.5336 -85.4679 -54.5323 -242.849 GPRESSURE: 3962200 35.2849 -179.765 -152.905 -217.649 156.899 -23.0717 -110.316 -70.2529 -208.833 PRESSAVG: 3962200 5.34209 -35.8415 -21.7569 -35.8416 -32.7271 -46.5583 -21.7569 -46.5584 62.9276 GPRESSAVG: 3962200 6.09525 -35.4671 -19.0946 -36.1863 -32.5706 -44.1822 -22.6801 -47.1076 61.2275 TIMING: 3962200 CPU: 11916.9, 0.0029788/step Wall: 11916.9, 0.0029788/step, 0.858721 hours remaining, 209.968750 MB of memory in use. ENERGY: 3962200 766.9704 2020.8288 1915.4796 121.5081 -206176.1740 17821.5755 0.0000 0.0000 34248.3906 -149281.4210 299.0997 -183529.8116 -149180.9768 299.9025 -35.5901 -5.5496 557321.2400 11.8475 11.5841 PRESSURE: 3962400 30.2225 -149.4 126.577 -149.401 -69.2044 42.204 126.578 42.2062 86.3196 GPRESSURE: 3962400 69.6783 -135.242 43.7492 -95.9408 3.66724 58.4736 118.119 21.62 71.7082 PRESSAVG: 3962400 -81.7726 -1.85562 -19.866 -1.85566 45.8273 14.0298 -19.866 14.0299 8.46284 GPRESSAVG: 3962400 -81.6432 -0.179685 -19.5788 -1.34324 45.6242 12.7772 -21.0455 16.6703 8.91805 TIMING: 3962400 CPU: 11917.5, 0.00298577/step Wall: 11917.5, 0.00298577/step, 0.860565 hours remaining, 209.968750 MB of memory in use. ENERGY: 3962400 713.7177 2046.3850 1920.2386 122.8241 -206084.5681 17756.3391 0.0000 0.0000 34142.7233 -149382.3402 298.1769 -183525.0635 -149285.7380 298.9101 15.7793 48.3513 557589.9386 -9.1608 -9.0336 PRESSURE: 3962600 130.862 -119.014 25.5787 -119.013 100.619 -0.874446 25.5785 -0.873304 91.7044 GPRESSURE: 3962600 227.376 -48.0439 0.656267 -150.218 117.115 58.7141 74.2487 1.57519 88.8041 PRESSAVG: 3962600 9.44631 -50.2184 3.19892 -50.2184 -0.880879 75.0746 3.19893 75.0745 42.269 GPRESSAVG: 3962600 9.01907 -52.163 0.939614 -50.5078 -0.914516 75.3192 4.62688 71.8029 42.0391 TIMING: 3962600 CPU: 11918.1, 0.00301958/step Wall: 11918.1, 0.00301959/step, 0.870144 hours remaining, 209.968750 MB of memory in use. ENERGY: 3962600 727.4139 2110.4031 1941.9021 122.2971 -206259.2381 17907.1334 0.0000 0.0000 34097.6094 -149352.4790 297.7829 -183450.0885 -149254.3066 299.2173 107.7285 144.4318 556734.4564 16.9448 16.7146 PRESSURE: 3962800 -83.8911 95.7743 -46.7729 95.7729 2.30455 -1.4296 -46.772 -1.42951 -359.354 GPRESSURE: 3962800 -61.9273 25.3143 -51.5904 69.2032 47.0443 -10.4687 -17.9482 11.9592 -320.032 PRESSAVG: 3962800 -33.0466 16.2175 -41.4703 16.2174 40.4314 13.0394 -41.4703 13.0395 40.611 GPRESSAVG: 3962800 -34.7207 17.246 -39.7227 16.7161 40.5386 13.0448 -43.6766 13.5701 42.6169 TIMING: 3962800 CPU: 11918.7, 0.00298279/step Wall: 11918.7, 0.00298279/step, 0.859375 hours remaining, 209.968750 MB of memory in use. ENERGY: 3962800 768.6689 2057.0851 1933.8595 116.0398 -206240.6113 17571.0982 0.0000 0.0000 34259.2768 -149534.5828 299.1948 -183793.8597 -149441.2505 298.9803 -146.9801 -111.6382 556755.0834 15.9986 16.1449 PRESSURE: 3963000 -66.3628 29.3748 18.299 29.375 -142.192 -80.6341 18.299 -80.6356 -236.229 GPRESSURE: 3963000 -62.2403 47.5405 61.1912 39.2538 -102.734 -105.266 -17.4471 -35.8297 -184.922 PRESSAVG: 3963000 9.14728 16.1554 -41.4529 16.1554 17.1096 -20.113 -41.4528 -20.1129 -54.8616 GPRESSAVG: 3963000 10.7729 14.4725 -43.0229 17.3995 17.4668 -18.4438 -38.3095 -21.7196 -56.6906 TIMING: 3963000 CPU: 11919.3, 0.00297732/step Wall: 11919.3, 0.00297732/step, 0.857634 hours remaining, 209.968750 MB of memory in use. ENERGY: 3963000 730.0431 2092.0291 1966.9046 113.7777 -206355.9995 17630.3637 0.0000 0.0000 34265.9409 -149556.9404 299.2530 -183822.8813 -149459.8573 298.7604 -148.2613 -116.6320 556544.4302 -9.5349 -9.4836 PRESSURE: 3963200 136.598 81.575 72.1544 81.5745 -126.689 151.012 72.1542 151.011 272.44 GPRESSURE: 3963200 155.086 154.838 98.9419 35.5649 -137.617 125.134 45.1887 163.782 362.499 PRESSAVG: 3963200 -25.4224 -12.1148 7.21555 -12.1148 -1.38179 -30.8588 7.2155 -30.8588 -6.43258 GPRESSAVG: 3963200 -24.604 -9.51979 7.18507 -13.5922 -3.15855 -31.7337 6.20995 -29.9782 -5.41961 TIMING: 3963200 CPU: 11919.9, 0.00295995/step Wall: 11919.9, 0.00295995/step, 0.852465 hours remaining, 209.968750 MB of memory in use. ENERGY: 3963200 707.1724 2076.1907 1933.1471 113.9609 -206361.2295 17820.2552 0.0000 0.0000 34317.5202 -149392.9830 299.7034 -183710.5033 -149302.2731 299.0170 94.1162 126.6562 556389.3019 -11.0789 -11.0607 PRESSURE: 3963400 -164.967 -24.2303 -20.4424 -24.2302 -192.242 39.2993 -20.4429 39.2988 -56.9142 GPRESSURE: 3963400 -169.581 45.9464 -60.5052 -88.3116 -143.074 72.5833 63.6646 -6.56188 -2.34096 PRESSAVG: 3963400 16.006 1.58108 8.33524 1.58109 34.0109 3.24655 8.33527 3.24653 3.27273 GPRESSAVG: 3963400 13.8884 0.513167 7.81272 1.44884 36.4255 2.6001 9.57197 4.83371 2.81596 TIMING: 3963400 CPU: 11920.5, 0.00295963/step Wall: 11920.5, 0.00295963/step, 0.852208 hours remaining, 209.968750 MB of memory in use. ENERGY: 3963400 749.8112 2096.9322 1910.3445 118.6960 -206321.3213 17630.8258 0.0000 0.0000 34301.2180 -149513.4936 299.5611 -183814.7116 -149407.2752 298.8767 -138.0410 -104.9987 557610.6668 17.7632 17.7100 PRESSURE: 3963600 12.1992 -24.2731 -103.08 -24.2732 -15.5703 64.4437 -103.079 64.4428 -234.95 GPRESSURE: 3963600 92.6919 -0.415679 -16.6043 -21.2079 -42.9676 -16.001 -114.16 30.3408 -201.998 PRESSAVG: 3963600 -53.7354 36.1326 -6.49586 36.1328 78.2816 10.4284 -6.49578 10.4284 9.25945 GPRESSAVG: 3963600 -53.7421 35.822 -5.48799 37.8778 77.7177 11.355 -6.19502 9.04708 9.18983 TIMING: 3963600 CPU: 11921.1, 0.00298031/step Wall: 11921.1, 0.00298031/step, 0.857997 hours remaining, 209.968750 MB of memory in use. ENERGY: 3963600 748.9599 2078.8534 1914.6134 111.1205 -206231.0315 17768.9252 0.0000 0.0000 34052.1105 -149556.4486 297.3856 -183608.5591 -149464.0389 298.6086 -79.4405 -50.7579 557795.5129 11.2686 11.0551 PRESSURE: 3963800 -78.8255 122.286 27.1349 122.288 69.7281 115.474 27.1357 115.474 -204.841 GPRESSURE: 3963800 -34.2545 77.6125 120.409 193.647 90.838 114.286 41.9553 120.503 -161.644 PRESSAVG: 3963800 31.6874 -44.3588 37.1188 -44.3589 59.024 -16.4899 37.1187 -16.4898 -61.5295 GPRESSAVG: 3963800 31.6698 -45.6368 38.6356 -43.2622 58.387 -18.4744 36.2549 -14.6295 -61.3945 TIMING: 3963800 CPU: 11921.6, 0.00296338/step Wall: 11921.6, 0.00296338/step, 0.852958 hours remaining, 209.968750 MB of memory in use. ENERGY: 3963800 747.3911 2080.0312 1917.6705 106.5630 -206619.0377 17782.6780 0.0000 0.0000 34436.9369 -149547.7671 300.7463 -183984.7040 -149452.3488 298.5434 -71.3127 -35.0202 556698.9903 9.7273 9.5541 PRESSURE: 3964000 63.9299 63.3709 103.296 63.3689 142.465 -19.2709 103.295 -19.2705 61.0328 GPRESSURE: 3964000 51.4864 6.80582 219.943 26.3159 192.997 -32.2072 -9.25419 38.557 111.001 PRESSAVG: 3964000 34.5954 -33.4295 49.9504 -33.4295 -20.6998 6.46836 49.9504 6.46834 19.8453 GPRESSAVG: 3964000 35.1649 -33.4166 48.84 -35.4643 -20.5121 8.86525 49.6905 5.55959 18.8769 TIMING: 3964000 CPU: 11922.2, 0.00299217/step Wall: 11922.2, 0.00299217/step, 0.86108 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: 3964000 754.1037 2140.1340 1906.1997 111.2542 -206791.1827 18121.2699 0.0000 0.0000 34160.3190 -149597.9023 298.3306 -183758.2212 -149503.6171 298.8108 89.1425 118.4950 557109.4384 11.2469 11.1766 PRESSURE: 3964200 182.663 106.868 40.9683 106.867 -164.297 -167.167 40.9685 -167.167 -112.015 GPRESSURE: 3964200 223.406 88.4339 63.0909 162.566 -100.487 -170.458 4.00871 -145.022 -111.128 PRESSAVG: 3964200 45.3805 0.949773 48.8237 0.949831 2.75032 -5.8144 48.8237 -5.81437 -20.3948 GPRESSAVG: 3964200 44.6395 2.25609 49.8226 1.31339 3.24258 -7.22743 48.0397 -5.72156 -19.8318 TIMING: 3964200 CPU: 11922.8, 0.00298632/step Wall: 11922.8, 0.00298632/step, 0.859231 hours remaining, 209.968750 MB of memory in use. ENERGY: 3964200 731.0155 2070.4346 1917.2077 120.2040 -206267.4408 17821.3339 0.0000 0.0000 34022.4143 -149584.8307 297.1262 -183607.2451 -149488.7250 298.3051 -31.2165 3.9305 556839.5450 9.2453 9.3501 LDB: ============= START OF LOAD BALANCING ============== 11926.4 LDB: ============== END OF LOAD BALANCING =============== 11926.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11926.4 LDB: ============= START OF LOAD BALANCING ============== 11926.7 LDB: Largest compute 4773 load 0.025864 is 21.9% of average load 0.118224 LDB: Average compute 0.001712 is 1.4% of average load 0.118224 LDB: TIME 11926.7 LOAD: AVG 0.118224 MAX 0.209903 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.984 MB LDB: TIME 11926.7 LOAD: AVG 0.118224 MAX 0.209903 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.984 MB LDB: TIME 11926.7 LOAD: AVG 0.118224 MAX 0.209903 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.984 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11926.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11926.7 PRESSURE: 3964400 -254.303 75.3703 -48.7019 75.3691 -139.653 22.1659 -48.7014 22.1668 -12.2462 GPRESSURE: 3964400 -212.335 130.117 -6.9302 30.8961 -58.0543 51.7547 -53.6487 -13.134 -28.3021 PRESSAVG: 3964400 6.80632 35.3929 -3.60389 35.3929 -30.714 -39.631 -3.60392 -39.6311 3.7624 GPRESSAVG: 3964400 7.45108 35.3666 -3.52336 34.016 -31.563 -40.0793 -2.78084 -41.5759 3.71353 TIMING: 3964400 CPU: 11923.5, 0.00303621/step Wall: 11923.5, 0.00303621/step, 0.873416 hours remaining, 209.515625 MB of memory in use. ENERGY: 3964400 738.6277 2079.8441 1915.4824 117.9169 -206440.3519 17803.5364 0.0000 0.0000 34171.9516 -149612.9929 298.4322 -183784.9445 -149524.0334 297.8390 -135.4009 -99.5637 557423.8857 -6.7151 -6.7995 PRESSURE: 3964600 54.3227 -102.475 -88.7416 -102.474 -129.665 -117.947 -88.7419 -117.947 -6.33201 GPRESSURE: 3964600 84.4692 -98.3119 -52.1939 -115.209 -76.8918 -15.1872 -85.5532 -98.7055 14.8062 PRESSAVG: 3964600 -0.706654 13.1211 -22.323 13.1211 -14.1522 -1.46729 -22.3231 -1.46729 45.039 GPRESSAVG: 3964600 -2.10053 13.3976 -21.936 14.807 -14.4243 -1.07559 -24.6049 0.367105 46.2593 TIMING: 3964600 CPU: 11924.1, 0.00299533/step Wall: 11924.1, 0.00299532/step, 0.861489 hours remaining, 209.515625 MB of memory in use. ENERGY: 3964600 726.4453 2123.3491 1905.7216 105.8248 -206313.3087 17726.4909 0.0000 0.0000 34200.9949 -149524.4820 298.6858 -183725.4770 -149424.7690 298.9602 -27.2247 7.4612 557390.3507 10.0600 9.9115 PRESSURE: 3964800 -83.2138 -5.36519 87.8429 -5.36564 198.565 65.0916 87.8424 65.0928 253.441 GPRESSURE: 3964800 -20.8212 -31.815 13.4781 9.29322 194.994 40.0907 163.192 18.7945 292.583 PRESSAVG: 3964800 1.81614 -31.5433 -62.3409 -31.5433 -14.4548 -37.2327 -62.3407 -37.2327 37.9378 GPRESSAVG: 3964800 2.78306 -33.4653 -61.439 -31.3538 -14.7294 -37.8911 -60.4819 -37.4846 37.55 TIMING: 3964800 CPU: 11924.6, 0.00299187/step Wall: 11924.6, 0.00299187/step, 0.860328 hours remaining, 209.515625 MB of memory in use. ENERGY: 3964800 703.9880 2045.8391 1924.9936 108.2860 -206487.9925 17873.3158 0.0000 0.0000 34244.3298 -149587.2402 299.0642 -183831.5700 -149489.0786 299.2510 122.9309 155.5851 554904.2233 8.4331 8.5345 PRESSURE: 3965000 -325.145 -3.49948 15.4817 -3.49979 -43.4978 129.639 15.4834 129.637 -29.5328 GPRESSURE: 3965000 -293.492 -16.402 29.1581 51.3753 3.88868 88.7536 -7.73565 136.8 -14.1977 PRESSAVG: 3965000 -15.6344 -13.495 -19.9407 -13.4949 23.9561 13.6188 -19.9407 13.6188 -4.00942 GPRESSAVG: 3965000 -16.1226 -9.99558 -22.7649 -15.5937 24.3879 15.3845 -17.9048 12.2911 -4.21831 TIMING: 3965000 CPU: 11925.2, 0.00298874/step Wall: 11925.2, 0.00298874/step, 0.859264 hours remaining, 209.585938 MB of memory in use. ENERGY: 3965000 716.0253 2155.2928 1916.6344 105.9483 -206474.9892 17819.2788 0.0000 0.0000 34169.5836 -149592.2261 298.4115 -183761.8097 -149497.4793 298.3378 -132.7252 -101.2672 557032.6270 1.4374 1.3490 PRESSURE: 3965200 154.509 -233.406 -107.277 -233.406 -65.1534 73.1623 -107.278 73.1608 -13.8651 GPRESSURE: 3965200 157.667 -207.26 -135.091 -247.245 -58.8951 27.5621 -91.4294 83.4759 80.8025 PRESSAVG: 3965200 -23.9197 5.64423 -29.4938 5.6442 35.416 65.7581 -29.4938 65.7581 -53.6452 GPRESSAVG: 3965200 -24.3274 3.85638 -27.8726 5.67682 36.1153 63.18 -31.4978 66.5265 -53.537 TIMING: 3965200 CPU: 11925.8, 0.00299025/step Wall: 11925.8, 0.00299025/step, 0.85953 hours remaining, 209.585938 MB of memory in use. ENERGY: 3965200 737.1165 2109.0508 1920.9511 120.9890 -206357.4223 17835.9535 0.0000 0.0000 34131.9242 -149501.4372 298.0826 -183633.3614 -149406.4969 298.7960 25.1637 59.8582 556527.8536 -14.0496 -13.9164 PRESSURE: 3965400 118.377 -54.586 -47.2609 -54.5853 -52.4554 -215.594 -47.2619 -215.595 -98.4802 GPRESSURE: 3965400 117.655 -150.206 -21.2722 -47.1113 6.69971 -179.553 -50.2007 -209.609 -55.7797 PRESSAVG: 3965400 26.3114 -23.2313 -53.5777 -23.2313 -41.4706 -14.3509 -53.5777 -14.351 23.2588 GPRESSAVG: 3965400 27.4735 -23.3041 -54.2021 -23.5709 -42.1055 -11.0127 -51.9981 -15.6069 22.792 TIMING: 3965400 CPU: 11926.4, 0.00299515/step Wall: 11926.4, 0.00299515/step, 0.860772 hours remaining, 209.585938 MB of memory in use. ENERGY: 3965400 757.2952 2099.5523 1929.4353 106.9790 -206494.6958 17923.5150 0.0000 0.0000 34280.4116 -149397.5074 299.3794 -183677.9190 -149299.0194 299.2163 -10.8529 22.8585 556291.3122 2.6999 2.7200 PRESSURE: 3965600 -18.1921 -56.9861 21.7072 -56.9871 112.862 -59.9747 21.7077 -59.974 185.471 GPRESSURE: 3965600 -4.06091 -20.2217 27.867 24.0172 143.774 13.416 -54.2946 -115.993 234.434 PRESSAVG: 3965600 30.3011 9.01096 -70.777 9.01107 -6.76973 -20.7839 -70.777 -20.7839 29.1005 GPRESSAVG: 3965600 29.2462 9.64311 -69.8754 9.21416 -6.15907 -22.6787 -72.3867 -19.5963 30.1373 TIMING: 3965600 CPU: 11927, 0.00295225/step Wall: 11927, 0.00295225/step, 0.848279 hours remaining, 209.585938 MB of memory in use. ENERGY: 3965600 700.7985 2180.9662 1937.6167 112.1843 -206428.0036 17902.6795 0.0000 0.0000 34160.1567 -149433.6017 298.3291 -183593.7584 -149330.5256 299.1855 93.3802 124.7157 557072.9309 17.5439 17.7415 PRESSURE: 3965800 214.43 -17.0912 130.703 -17.0913 46.9856 15.3965 130.703 15.3972 177.025 GPRESSURE: 3965800 283.465 19.0895 110.15 -50.3667 6.59484 -72.2224 153.983 -9.58231 241.65 PRESSAVG: 3965800 0.80262 58.093 6.16099 58.0929 -16.547 -20.0519 6.16099 -20.052 6.02006 GPRESSAVG: 3965800 2.92087 59.5975 6.37354 58.7665 -19.3679 -19.8854 6.09195 -19.6148 6.54418 TIMING: 3965800 CPU: 11927.6, 0.0029654/step Wall: 11927.6, 0.0029654/step, 0.851895 hours remaining, 209.585938 MB of memory in use. ENERGY: 3965800 698.5441 2084.0306 1932.6085 106.4111 -206565.8271 18019.6587 0.0000 0.0000 34274.8328 -149449.7414 299.3306 -183724.5742 -149346.2306 298.8410 146.1469 177.2364 557624.2846 -3.2414 -3.3010 PRESSURE: 3966000 -17.2302 127.789 25.4556 127.789 -418.625 -57.5934 25.4569 -57.5938 -57.6593 GPRESSURE: 3966000 -4.48454 99.3422 16.6301 130.815 -357.706 -1.02368 -7.42903 -13.91 -31.9173 PRESSAVG: 3966000 54.5506 -31.2606 59.1351 -31.2607 -99.115 -18.1337 59.135 -18.1337 30.5306 GPRESSAVG: 3966000 52.6011 -34.2275 57.8784 -30.8111 -96.5373 -18.9044 60.0318 -18.4337 30.1691 TIMING: 3966000 CPU: 11928.2, 0.00297883/step Wall: 11928.2, 0.00297883/step, 0.855587 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: 3966000 759.8130 2119.7556 1948.2111 114.3308 -206401.8136 17705.9693 0.0000 0.0000 34189.7503 -149563.9834 298.5876 -183753.7337 -149471.2097 298.7377 -164.5048 -131.3692 558775.9195 -4.6779 -4.5890 PRESSURE: 3966200 -108.29 -39.1725 106.806 -39.1721 52.4298 67.0371 106.805 67.0382 -13.054 GPRESSURE: 3966200 -75.0042 -26.168 152.71 33.1568 65.0054 13.2023 57.7935 6.4786 56.5333 PRESSAVG: 3966200 28.0039 -22.4364 9.29873 -22.4364 -22.6296 1.86024 9.29869 1.86026 -7.55148 GPRESSAVG: 3966200 29.403 -21.1953 6.82901 -21.305 -23.4613 2.98951 8.683 1.63804 -7.6325 TIMING: 3966200 CPU: 11928.8, 0.00300068/step Wall: 11928.8, 0.00300068/step, 0.861695 hours remaining, 209.585938 MB of memory in use. ENERGY: 3966200 741.3848 2062.6033 1918.8990 117.3719 -206437.8023 17858.6597 0.0000 0.0000 34224.1276 -149514.7560 298.8878 -183738.8836 -149413.5864 298.1146 -22.9715 15.5115 557054.1614 -0.7257 -0.5636 PRESSURE: 3966400 -55.2113 37.2021 126.42 37.2019 229.241 67.0963 126.421 67.0976 -167.651 GPRESSURE: 3966400 -6.1738 102.778 135.948 13.939 225.794 77.5059 173.231 104.468 -115.444 PRESSAVG: 3966400 11.7075 45.544 -32.248 45.5441 -2.44374 -19.2165 -32.248 -19.2165 16.1717 GPRESSAVG: 3966400 10.7318 44.717 -29.7297 44.6153 -1.63979 -20.1573 -33.3947 -18.3049 16.3579 TIMING: 3966400 CPU: 11929.4, 0.00299222/step Wall: 11929.4, 0.00299222/step, 0.859098 hours remaining, 209.585938 MB of memory in use. ENERGY: 3966400 749.5142 2091.2233 1925.1554 106.9117 -206327.1238 17819.3934 0.0000 0.0000 34218.5741 -149416.3516 298.8393 -183634.9257 -149320.6118 298.5916 2.1261 34.7256 557793.0024 8.4785 8.4833 PRESSURE: 3966600 -83.3964 128.396 -35.9344 128.396 -32.8136 -31.2202 -35.934 -31.218 -48.2893 GPRESSURE: 3966600 -54.5697 131.813 -23.0228 126.178 -40.6491 -106.192 -89.8349 -48.7573 16.5044 PRESSAVG: 3966600 2.33041 26.901 66.9406 26.901 -4.24429 -29.9597 66.9406 -29.9598 -23.8384 GPRESSAVG: 3966600 3.31714 27.9978 66.7696 26.9319 -6.22668 -29.8725 68.2972 -29.9164 -23.6332 TIMING: 3966600 CPU: 11930, 0.00296133/step Wall: 11930, 0.00296133/step, 0.850066 hours remaining, 209.585938 MB of memory in use. ENERGY: 3966600 715.6218 2096.7953 1912.5696 113.2178 -206341.6974 17677.2163 0.0000 0.0000 34465.8161 -149360.4606 300.9985 -183826.2767 -149262.6391 298.4222 -54.8331 -26.2381 557730.5394 -8.5841 -8.8476 PRESSURE: 3966800 24.6993 53.915 79.2893 53.915 119.921 -95.0049 79.289 -95.0038 300.507 GPRESSURE: 3966800 41.4142 69.3745 120.006 55.1956 193.261 -58.4224 4.73742 -185.339 310.329 PRESSAVG: 3966800 -11.8451 -16.5374 29.5241 -16.5374 23.5107 -13.3267 29.5241 -13.3267 -34.0125 GPRESSAVG: 3966800 -13.9889 -16.1732 27.472 -18.7815 25.7059 -12.4106 29.8925 -14.1631 -33.6332 TIMING: 3966800 CPU: 11930.6, 0.00295479/step Wall: 11930.6, 0.00295479/step, 0.848026 hours remaining, 209.585938 MB of memory in use. ENERGY: 3966800 726.9536 2083.9431 1929.4116 123.4184 -206626.1810 18176.5919 0.0000 0.0000 34226.5145 -149359.3479 298.9087 -183585.8624 -149264.2812 299.2095 148.3755 181.6682 556939.8520 -7.4490 -7.3054 PRESSURE: 3967000 26.7981 111.627 -12.4547 111.626 -131.342 32.2812 -12.453 32.2834 -43.3755 GPRESSURE: 3967000 68.5746 114.139 -63.1266 42.62 -119.828 -25.644 17.8128 -10.5792 12.798 PRESSAVG: 3967000 42.1651 -4.221 7.06102 -4.22096 -0.84253 33.8206 7.06104 33.8205 -36.0405 GPRESSAVG: 3967000 43.1332 -4.78445 9.01436 -2.1716 -1.34345 34.4976 7.15339 34.3464 -36.5215 TIMING: 3967000 CPU: 11931.2, 0.002986/step Wall: 11931.2, 0.002986/step, 0.856815 hours remaining, 209.585938 MB of memory in use. ENERGY: 3967000 736.5003 2103.7530 1910.6743 93.6508 -205973.5334 17602.3641 0.0000 0.0000 34151.3032 -149375.2877 298.2518 -183526.5909 -149277.8789 298.3792 -49.3065 -12.8186 557301.7345 1.7607 1.7561 PRESSURE: 3967200 -148.361 -11.2463 -10.52 -11.247 -166.303 -97.8774 -10.5197 -97.8782 -120.031 GPRESSURE: 3967200 -96.0499 5.86393 106.982 -41.54 -136.964 -135.183 -25.4831 -139.658 -98.3338 PRESSAVG: 3967200 7.17607 -13.2279 0.0721649 -13.228 -17.1346 -16.2118 0.0722091 -16.2117 0.893597 GPRESSAVG: 3967200 7.3656 -12.3739 -0.24329 -14.3419 -16.888 -16.2376 -0.709655 -17.7729 1.24259 TIMING: 3967200 CPU: 11931.8, 0.00296209/step Wall: 11931.8, 0.00296209/step, 0.84979 hours remaining, 209.585938 MB of memory in use. ENERGY: 3967200 715.0873 2104.2183 1924.6716 117.3591 -206217.3794 17732.1813 0.0000 0.0000 34195.6515 -149428.2104 298.6391 -183623.8618 -149332.1474 298.9405 -144.8982 -110.4491 558216.4898 -3.0216 -2.7599 PRESSURE: 3967400 -105.866 -28.5429 35.4124 -28.5417 4.66703 -44.2926 35.411 -44.2945 -22.3901 GPRESSURE: 3967400 -69.1452 -100.221 79.714 -14.7407 24.8163 -128.895 -27.5819 -11.4429 17.3687 PRESSAVG: 3967400 -45.925 -19.3434 -65.4861 -19.3433 46.4718 -8.02687 -65.4861 -8.02689 6.15585 GPRESSAVG: 3967400 -45.992 -19.6529 -65.3565 -18.3891 46.1191 -7.62175 -65.4494 -6.57855 7.09802 TIMING: 3967400 CPU: 11932.4, 0.00299037/step Wall: 11932.4, 0.00299037/step, 0.857737 hours remaining, 209.585938 MB of memory in use. ENERGY: 3967400 780.0598 2141.0979 1901.7535 115.6196 -206627.5418 17994.7559 0.0000 0.0000 34147.9091 -149546.3460 298.2222 -183694.2551 -149441.9407 298.6694 -41.1963 -8.9867 556565.4750 2.2342 2.4084 PRESSURE: 3967600 352.118 -8.50081 71.8144 -8.50077 389.187 -52.6729 71.8148 -52.6736 303.167 GPRESSURE: 3967600 365.078 -2.35919 58.7007 -57.6423 454.762 -2.55437 13.967 8.43283 337.903 PRESSAVG: 3967600 48.8676 -35.728 18.3475 -35.7278 7.33215 30.5235 18.3474 30.5235 -29.0806 GPRESSAVG: 3967600 49.5482 -37.8929 17.9456 -34.8607 6.75425 29.9786 17.169 29.0195 -29.7248 TIMING: 3967600 CPU: 11933, 0.00302579/step Wall: 11933, 0.00302579/step, 0.86773 hours remaining, 209.585938 MB of memory in use. ENERGY: 3967600 729.0954 2043.9323 1921.0057 111.3092 -206979.2964 18376.0534 0.0000 0.0000 34182.6447 -149615.2556 298.5255 -183797.9004 -149523.1724 298.1949 348.1573 385.9144 555359.5568 9.0397 8.8592 PRESSURE: 3967800 -414.782 -37.4328 69.2024 -37.4318 -53.3548 -146.951 69.202 -146.951 -154.049 GPRESSURE: 3967800 -419.198 -98.5494 104.233 12.386 34.1051 -232.665 53.2495 -98.9784 -141.18 PRESSAVG: 3967800 -10.1653 41.2617 26.8023 41.2618 11.9953 -22.6731 26.8024 -22.6731 26.965 GPRESSAVG: 3967800 -9.96499 42.5701 28.6737 39.7153 11.0357 -24.1868 27.5252 -22.3859 27.351 TIMING: 3967800 CPU: 11933.6, 0.00300841/step Wall: 11933.6, 0.00300841/step, 0.862577 hours remaining, 209.585938 MB of memory in use. ENERGY: 3967800 738.1559 2114.9786 1952.8276 97.1538 -205952.3368 17475.2981 0.0000 0.0000 34167.5382 -149406.3844 298.3936 -183573.9227 -149316.3296 298.7860 -207.3952 -175.4244 558343.7754 9.5983 9.4739 PRESSURE: 3968000 322.953 233.863 212.327 233.864 227.613 -161.1 212.327 -161.099 -70.7673 GPRESSURE: 3968000 285.565 144.217 252.956 303.861 267.223 -261.427 214.267 -148.263 33.3682 PRESSAVG: 3968000 -64.0142 -42.5599 30.0606 -42.5599 68.3549 -33.6917 30.0606 -33.6916 -2.76606 GPRESSAVG: 3968000 -63.1003 -42.8817 29.4123 -41.0062 68.0943 -32.778 29.7766 -33.7922 -2.9024 TIMING: 3968000 CPU: 11934.2, 0.00296497/step Wall: 11934.2, 0.00296497/step, 0.849958 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: 3968000 744.2571 2104.9494 1961.0417 116.5977 -206537.8940 17903.8268 0.0000 0.0000 34350.7932 -149356.4281 299.9940 -183707.2213 -149258.7937 299.3123 159.9328 195.3852 556140.8836 0.5249 0.6972 PRESSURE: 3968200 -34.0694 -74.1168 92.147 -74.1166 -134.503 -50.4105 92.1476 -50.4104 -84.4389 GPRESSURE: 3968200 16.7908 -59.5287 89.1438 -90.1453 -96.2582 -42.1014 57.2193 -8.91511 -89.8538 PRESSAVG: 3968200 49.6736 -26.3097 89.9966 -26.3097 70.965 -41.0717 89.9966 -41.0717 -66.8954 GPRESSAVG: 3968200 48.7546 -26.0372 92.5524 -27.8441 72.1037 -40.5778 88.6936 -38.4159 -66.8422 TIMING: 3968200 CPU: 11934.8, 0.00296612/step Wall: 11934.8, 0.00296612/step, 0.850124 hours remaining, 209.585938 MB of memory in use. ENERGY: 3968200 734.1410 2080.0929 1964.5196 111.6284 -206466.4116 17819.5420 0.0000 0.0000 34433.8512 -149322.6363 300.7194 -183756.4876 -149224.0865 299.0386 -84.3372 -56.4404 558984.7121 17.9144 18.0054 LDB: ============= START OF LOAD BALANCING ============== 11938.3 LDB: ============== END OF LOAD BALANCING =============== 11938.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11938.3 LDB: ============= START OF LOAD BALANCING ============== 11938.6 LDB: Largest compute 4802 load 0.027313 is 23.1% of average load 0.118206 LDB: Average compute 0.001722 is 1.5% of average load 0.118206 LDB: TIME 11938.6 LOAD: AVG 0.118206 MAX 0.211239 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.477 MB LDB: TIME 11938.6 LOAD: AVG 0.118206 MAX 0.211239 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.535 MB LDB: TIME 11938.6 LOAD: AVG 0.118206 MAX 0.211239 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.535 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11938.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11938.6 PRESSURE: 3968400 92.7686 246.916 5.93706 246.917 -178.513 -110.498 5.93703 -110.497 -216.88 GPRESSURE: 3968400 117.36 299.09 -74.1603 131.355 -134.484 44.1782 49.6638 -208.708 -199.002 PRESSAVG: 3968400 66.1899 -12.0445 -29.4202 -12.0444 -18.8184 -31.0186 -29.4201 -31.0187 -94.4397 GPRESSAVG: 3968400 64.9308 -12.1194 -33.297 -14.1876 -18.9797 -30.8708 -28.412 -33.5249 -93.8109 TIMING: 3968400 CPU: 11935.4, 0.00301118/step Wall: 11935.4, 0.00301118/step, 0.862871 hours remaining, 208.023438 MB of memory in use. ENERGY: 3968400 754.1250 2158.0433 1930.8270 127.6404 -206093.3188 17647.3219 0.0000 0.0000 34185.6032 -149289.7580 298.5514 -183475.3612 -149208.2261 299.3574 -100.8748 -72.0422 558998.5741 -15.6894 -15.9533 PRESSURE: 3968600 -168.657 -65.38 46.5095 -65.3798 5.8144 100.203 46.5108 100.202 -200.767 GPRESSURE: 3968600 -165.466 -97.0812 -19.7646 -21.6633 62.0659 97.7745 94.614 69.1047 -154.562 PRESSAVG: 3968600 -24.7571 24.4721 57.5934 24.4722 26.5852 12.8287 57.5934 12.8286 -47.257 GPRESSAVG: 3968600 -23.1702 24.8976 57.3205 26.8625 26.8333 13.7533 59.4824 13.5004 -48.5595 TIMING: 3968600 CPU: 11936, 0.00297577/step Wall: 11936, 0.00297577/step, 0.852559 hours remaining, 208.226562 MB of memory in use. ENERGY: 3968600 788.9384 2100.5953 1946.2436 107.9338 -206413.7244 17853.6594 0.0000 0.0000 34383.2819 -149233.0720 300.2778 -183616.3540 -149144.0388 299.7555 -121.2030 -85.9875 558729.7201 -15.1429 -14.9655 PRESSURE: 3968800 125.952 -145.72 18.7888 -145.72 95.0723 -47.7275 18.7903 -47.7288 24.3229 GPRESSURE: 3968800 106.532 -106.17 56.3994 -168.436 115.186 -59.7273 15.5481 -82.3468 113.657 PRESSAVG: 3968800 -6.19639 -11.7269 13.7063 -11.7269 39.1073 2.12909 13.7063 2.129 -19.9236 GPRESSAVG: 3968800 -7.47017 -12.5453 15.7324 -11.8945 38.928 0.222341 13.3999 3.89084 -18.6864 TIMING: 3968800 CPU: 11936.6, 0.00297378/step Wall: 11936.6, 0.00297378/step, 0.851823 hours remaining, 208.226562 MB of memory in use. ENERGY: 3968800 737.2257 2170.1597 1917.5810 117.7563 -206658.1662 17971.9689 0.0000 0.0000 34499.0270 -149244.4477 301.2886 -183743.4747 -149145.3566 299.6324 81.7823 111.7915 555026.8052 4.3291 4.2572 PRESSURE: 3969000 27.4167 -109.262 9.34065 -109.262 -74.8879 215.971 9.34081 215.97 137.617 GPRESSURE: 3969000 86.7874 -63.399 -0.529472 -106.534 -40.4061 230.408 -44.7709 308.619 146.891 PRESSAVG: 3969000 -10.1219 3.42031 5.66475 3.4202 -26.6035 35.1978 5.66472 35.1978 40.4268 GPRESSAVG: 3969000 -8.88283 6.07708 4.05558 2.70884 -25.669 34.6638 4.20754 35.685 38.6434 TIMING: 3969000 CPU: 11937.2, 0.00295655/step Wall: 11937.2, 0.00295655/step, 0.846722 hours remaining, 208.226562 MB of memory in use. ENERGY: 3969000 729.2865 2120.7443 1923.3334 114.9383 -206275.9285 17847.3859 0.0000 0.0000 34308.0444 -149232.1957 299.6207 -183540.2401 -149131.3989 299.6491 30.0487 64.4242 557812.2638 1.2338 1.3638 PRESSURE: 3969200 -297.909 71.7 -109.088 71.7017 114.923 -150.734 -109.088 -150.733 -73.4841 GPRESSURE: 3969200 -228.588 19.5049 -120.296 46.3217 152.01 -134.595 -112.925 -160.173 -62.7779 PRESSAVG: 3969200 -42.5633 -28.0635 15.0077 -28.0636 13.6804 11.4441 15.0076 11.4442 -16.8597 GPRESSAVG: 3969200 -43.6694 -29.2074 14.8866 -28.9598 14.285 12.1311 14.2275 11.1441 -16.5996 TIMING: 3969200 CPU: 11937.8, 0.00297971/step Wall: 11937.8, 0.00297971/step, 0.85319 hours remaining, 208.226562 MB of memory in use. ENERGY: 3969200 774.8049 2069.6848 1931.5484 121.8111 -206090.5295 17693.9863 0.0000 0.0000 34035.9452 -149462.7488 297.2444 -183498.6940 -149364.6647 298.9273 -85.4899 -46.4519 558194.1238 -15.2476 -15.3280 PRESSURE: 3969400 -80.1716 206.736 126.161 206.736 -42.7683 -24.4568 126.162 -24.4555 -49.7112 GPRESSURE: 3969400 -50.6938 154.3 147.402 256.851 -15.3886 -78.8745 82.8445 94.6227 -22.1446 PRESSAVG: 3969400 -55.683 62.5269 29.7337 62.5268 58.1438 27.3551 29.7337 27.3553 40.9638 GPRESSAVG: 3969400 -56.2678 61.001 29.6383 63.3424 57.8548 28.3018 31.2532 25.9075 42.0547 TIMING: 3969400 CPU: 11938.4, 0.00296711/step Wall: 11938.4, 0.00296711/step, 0.849418 hours remaining, 208.226562 MB of memory in use. ENERGY: 3969400 754.4914 2133.1567 1938.6348 124.8464 -206596.3321 17985.9473 0.0000 0.0000 34313.2504 -149346.0050 299.6662 -183659.2554 -149250.2473 298.8297 -57.5504 -29.4090 559029.1963 14.4749 14.5473 PRESSURE: 3969600 82.9885 -51.2937 -79.2542 -51.2939 -81.1294 -86.9472 -79.2542 -86.9456 31.2015 GPRESSURE: 3969600 109.96 -72.865 -122.873 -21.6132 -24.8432 -19.2052 -45.0541 -92.4588 55.7514 PRESSAVG: 3969600 35.2913 -13.1095 10.684 -13.1095 -4.74401 12.0258 10.684 12.0258 3.21731 GPRESSAVG: 3969600 36.7908 -11.8565 11.2369 -13.1695 -5.51224 11.2493 9.96496 14.8138 2.51936 TIMING: 3969600 CPU: 11939, 0.00298897/step Wall: 11939, 0.00298897/step, 0.85551 hours remaining, 208.226562 MB of memory in use. ENERGY: 3969600 735.8495 2050.4350 1938.6805 119.5407 -206310.7478 17789.3830 0.0000 0.0000 34264.1400 -149412.7191 299.2373 -183676.8591 -149317.8105 298.8460 11.0202 46.9562 558021.6255 11.2549 11.2660 PRESSURE: 3969800 -105.315 -54.6558 116.282 -54.6551 157.625 -97.8087 116.283 -97.8107 -117.388 GPRESSURE: 3969800 -119.143 -80.1022 61.5407 34.4753 287.757 -130.771 178.435 -9.95346 -122.509 PRESSAVG: 3969800 -5.34942 12.91 -16.7321 12.91 21.0557 -19.9475 -16.732 -19.9475 0.661961 GPRESSAVG: 3969800 -6.02194 12.6264 -16.4331 13.6478 21.2414 -19.6608 -16.5682 -20.774 1.76049 TIMING: 3969800 CPU: 11939.6, 0.00300645/step Wall: 11939.6, 0.00300645/step, 0.860346 hours remaining, 208.429688 MB of memory in use. ENERGY: 3969800 790.1498 2116.2909 1918.0312 102.5715 -206690.7982 18043.6240 0.0000 0.0000 34212.4555 -149507.6752 298.7859 -183720.1307 -149408.3583 298.8557 -21.6929 15.3684 557284.8144 5.4561 5.6600 PRESSURE: 3970000 -338.389 41.6025 123.875 41.6024 -65.4733 57.6172 123.875 57.6163 85.1802 GPRESSURE: 3970000 -289.228 56.0063 90.5776 43.356 -50.7462 146.203 29.4939 -11.4876 122.154 PRESSAVG: 3970000 -35.5737 -21.3528 -57.9125 -21.3528 66.2196 2.75856 -57.9125 2.75843 -20.8846 GPRESSAVG: 3970000 -35.8038 -23.0086 -59.2697 -20.1594 66.5101 1.60334 -58.9004 2.55147 -21.2139 TIMING: 3970000 CPU: 11940.2, 0.00300261/step Wall: 11940.2, 0.00300261/step, 0.859079 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: 3970000 776.3100 2078.9823 1905.3273 117.8517 -206247.0135 17766.9235 0.0000 0.0000 34054.3154 -149547.3033 297.4048 -183601.6187 -149458.7249 298.6376 -106.2275 -72.6068 558393.8906 3.2537 3.1641 PRESSURE: 3970200 407.642 -110.316 251.055 -110.317 -96.7777 116.608 251.054 116.609 50.1501 GPRESSURE: 3970200 410.105 -64.8975 207.355 -139.742 -20.7296 53.1616 235.421 140.361 59.1766 PRESSAVG: 3970200 49.5193 -49.4019 -21.5169 -49.402 35.8052 -15.5248 -21.517 -15.5249 -62.2508 GPRESSAVG: 3970200 50.2364 -48.2203 -21.5656 -50.1234 35.5073 -13.7633 -18.0415 -16.5879 -62.699 TIMING: 3970200 CPU: 11940.8, 0.00297476/step Wall: 11940.8, 0.00297476/step, 0.850947 hours remaining, 208.429688 MB of memory in use. ENERGY: 3970200 747.3948 2124.7206 1924.6421 109.4888 -206910.8361 18207.1801 0.0000 0.0000 34173.1221 -149624.2877 298.4424 -183797.4097 -149534.8213 298.4500 120.3382 149.5174 556578.5347 7.6912 7.6816 PRESSURE: 3970400 -199.047 -6.38176 29.8307 -6.38122 -32.1678 -71.9177 29.8313 -71.9171 -153.907 GPRESSURE: 3970400 -134.409 85.401 -22.8376 -36.1449 -57.9343 -43.5118 36.8906 -95.4858 -81.2382 PRESSAVG: 3970400 -14.7152 -17.6296 43.6246 -17.6296 -38.4681 -46.4733 43.6246 -46.4733 -10.1015 GPRESSAVG: 3970400 -15.0882 -18.5949 45.7951 -15.9041 -39.7213 -47.4746 38.779 -43.9815 -8.38168 TIMING: 3970400 CPU: 11941.4, 0.00302318/step Wall: 11941.4, 0.00302318/step, 0.86463 hours remaining, 208.429688 MB of memory in use. ENERGY: 3970400 783.6031 2113.8579 1943.4702 109.6043 -206406.2095 17568.8090 0.0000 0.0000 34205.7776 -149681.0874 298.7276 -183886.8651 -149584.1908 297.9824 -128.3738 -91.1938 555846.5206 -21.0949 -21.0638 PRESSURE: 3970600 32.0519 -51.4081 9.28197 -51.4091 -147.352 -11.2085 9.28273 -11.2097 -301.527 GPRESSURE: 3970600 29.3485 -60.4608 70.0315 -85.4275 -106.959 -91.8008 -77.9871 48.6286 -240.127 PRESSAVG: 3970600 -12.6006 -4.37109 -3.77358 -4.37107 49.1233 -102.262 -3.77364 -102.261 -34.3519 GPRESSAVG: 3970600 -13.6412 -4.23629 -4.19698 -6.08631 49.9263 -100.471 -2.06664 -105.88 -34.1 TIMING: 3970600 CPU: 11942, 0.0030421/step Wall: 11942, 0.0030421/step, 0.869872 hours remaining, 208.429688 MB of memory in use. ENERGY: 3970600 733.8920 2093.6959 1945.7942 116.2853 -206123.5691 17537.6078 0.0000 0.0000 34082.4004 -149613.8936 297.6501 -183696.2940 -149513.5560 298.2841 -138.9422 -105.9125 558033.5849 0.7236 0.7284 PRESSURE: 3970800 -180.23 -235.811 -39.3074 -235.811 83.8604 108.801 -39.3078 108.804 -274.617 GPRESSURE: 3970800 -117.875 -288.23 -69.383 -203.081 106.93 147.175 -60.9149 48.7471 -265.447 PRESSAVG: 3970800 53.4943 -31.7518 38.3682 -31.7518 -22.1673 -17.8027 38.3682 -17.8027 -21.1886 GPRESSAVG: 3970800 54.5538 -32.6755 38.2893 -31.0702 -22.314 -19.9643 37.4452 -15.3369 -21.2411 TIMING: 3970800 CPU: 11942.6, 0.00302221/step Wall: 11942.6, 0.00302221/step, 0.864017 hours remaining, 208.429688 MB of memory in use. ENERGY: 3970800 767.8539 2086.0822 1928.2878 116.0346 -206173.9639 17654.7514 0.0000 0.0000 34070.5463 -149550.4076 297.5466 -183620.9539 -149458.6288 297.6115 -123.6621 -92.1304 558197.2615 3.3795 3.6662 PRESSURE: 3971000 -15.5337 72.871 165.201 72.8719 -224.201 17.2048 165.2 17.2033 34.3178 GPRESSURE: 3971000 1.41496 12.412 176.039 56.8753 -176.801 52.6108 133.662 -23.6007 62.8309 PRESSAVG: 3971000 -45.6778 -0.53579 2.46429 -0.535775 -25.5519 -1.4495 2.46437 -1.44953 31.7447 GPRESSAVG: 3971000 -45.0098 2.04086 3.01652 -1.31025 -24.9533 1.00188 0.950619 -0.987821 31.206 TIMING: 3971000 CPU: 11943.2, 0.00301856/step Wall: 11943.2, 0.00301856/step, 0.862806 hours remaining, 208.429688 MB of memory in use. ENERGY: 3971000 744.1704 2118.1998 1915.3609 111.2769 -206251.6334 17700.8280 0.0000 0.0000 34208.6813 -149453.1160 298.7529 -183661.7974 -149358.0587 298.2318 -68.4724 -37.5185 558343.3336 -13.1617 -12.9190 PRESSURE: 3971200 56.8931 -7.00234 -51.2745 -7.00086 -201.266 13.2509 -51.2754 13.2493 -17.8244 GPRESSURE: 3971200 59.8587 9.84526 -35.5618 -57.1819 -162.31 -34.6729 -86.128 21.5828 42.6377 PRESSAVG: 3971200 3.7836 53.1372 17.9407 53.1372 -12.878 -12.9136 17.9408 -12.9136 18.3393 GPRESSAVG: 3971200 3.63754 53.2701 18.3925 53.7901 -13.1069 -14.7328 21.17 -12.8306 19.3499 TIMING: 3971200 CPU: 11943.8, 0.00301298/step Wall: 11943.8, 0.00301298/step, 0.861042 hours remaining, 208.429688 MB of memory in use. ENERGY: 3971200 777.0475 2061.3518 1936.2742 105.7591 -206332.6202 17960.9201 0.0000 0.0000 34039.1716 -149452.0959 297.2726 -183491.2675 -149345.2636 298.1007 -54.0657 -19.9378 559435.1992 3.0816 3.2935 PRESSURE: 3971400 192.186 -91.0092 -104.47 -91.0098 147.866 38.6272 -104.471 38.627 150.284 GPRESSURE: 3971400 245.677 -60.3487 -90.5511 -106.879 208.198 73.4886 -65.7056 -47.0867 128.83 PRESSAVG: 3971400 22.2404 -23.9185 -23.1144 -23.9186 -86.2796 12.8763 -23.1144 12.8764 69.1517 GPRESSAVG: 3971400 22.8654 -26.6115 -23.145 -23.5373 -86.1356 14.7749 -23.7487 10.2997 68.1874 TIMING: 3971400 CPU: 11944.4, 0.00296585/step Wall: 11944.4, 0.00296585/step, 0.847409 hours remaining, 208.429688 MB of memory in use. ENERGY: 3971400 704.6735 2068.4185 1915.6284 101.0753 -206654.7546 18314.5385 0.0000 0.0000 34234.6446 -149315.7758 298.9797 -183550.4204 -149217.8504 298.9182 163.4453 194.2350 558554.0115 1.7042 1.6391 PRESSURE: 3971600 70.8724 -90.5472 114.835 -90.5467 -54.5939 -78.795 114.835 -78.7949 22.5155 GPRESSURE: 3971600 119.371 -87.0861 129.769 -93.9458 -47.3793 -100.965 69.8009 -35.7073 75.0834 PRESSAVG: 3971600 15.3869 4.39664 29.8851 4.39663 16.8101 -20.4329 29.885 -20.4329 -24.7744 GPRESSAVG: 3971600 15.6535 6.06734 29.6205 4.39016 15.7808 -20.657 28.8371 -19.0991 -24.0376 TIMING: 3971600 CPU: 11945, 0.00298524/step Wall: 11945, 0.00298524/step, 0.852783 hours remaining, 208.429688 MB of memory in use. ENERGY: 3971600 732.8588 2089.7649 1932.9275 106.3191 -206633.2634 17949.9658 0.0000 0.0000 34373.8465 -149447.5808 300.1954 -183821.4273 -149350.7666 298.8397 12.9313 49.0249 558258.1302 2.4742 2.4656 PRESSURE: 3971800 -298.576 -30.9496 -240.86 -30.9505 -172.795 86.5228 -240.86 86.5235 -40.9685 GPRESSURE: 3971800 -255.651 -8.5786 -228.801 -97.7712 -171.563 9.7342 -159.594 142.418 21.9553 PRESSAVG: 3971800 38.9612 24.0595 8.03604 24.0596 -36.2616 -22.4132 8.03613 -22.4131 5.68961 GPRESSAVG: 3971800 38.0889 26.1101 8.06069 22.5813 -35.9002 -22.8482 7.36016 -22.1708 6.95716 TIMING: 3971800 CPU: 11945.6, 0.002981/step Wall: 11945.6, 0.002981/step, 0.851407 hours remaining, 208.429688 MB of memory in use. ENERGY: 3971800 761.0755 2120.2096 1928.8495 114.1680 -206252.2869 17674.6427 0.0000 0.0000 34283.0589 -149370.2826 299.4025 -183653.3416 -149276.7560 299.3901 -170.7799 -135.0863 557778.2284 2.7964 3.0486 PRESSURE: 3972000 1.70226 19.4111 53.4764 19.4113 -87.7648 -199.002 53.4761 -199.002 47.1234 GPRESSURE: 3972000 41.3276 31.226 -17.0658 25.9699 -83.9744 -177.347 88.0188 -170.382 88.2187 PRESSAVG: 3972000 -0.861646 -18.7956 8.18756 -18.7957 -33.5538 9.01325 8.18766 9.01337 23.3538 GPRESSAVG: 3972000 -0.315236 -20.0719 8.87445 -18.3722 -33.7205 9.05523 9.25818 8.02551 22.9325 TIMING: 3972000 CPU: 11946.2, 0.00299956/step Wall: 11946.2, 0.00299956/step, 0.85654 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: 3972000 727.3379 2101.4247 1942.7650 113.4513 -206373.4896 17864.7365 0.0000 0.0000 34226.8969 -149396.8773 298.9120 -183623.7742 -149298.9416 299.3124 -12.9797 15.1907 558213.5603 -3.6872 -3.7011 PRESSURE: 3972200 1.9284 -181.6 -46.0117 -181.6 144.064 -49.731 -46.0127 -49.7324 171.469 GPRESSURE: 3972200 9.81804 -139.85 22.5625 -198.485 186.83 -99.6425 -146.558 3.56735 209.071 PRESSAVG: 3972200 -47.8122 -24.6886 -44.9066 -24.6887 37.7897 43.8052 -44.9065 43.8053 34.4248 GPRESSAVG: 3972200 -48.1871 -23.9304 -45.187 -25.705 39.4505 41.3722 -44.3948 44.3364 33.3417 TIMING: 3972200 CPU: 11946.8, 0.00300482/step Wall: 11946.8, 0.00300482/step, 0.857875 hours remaining, 208.429688 MB of memory in use. ENERGY: 3972200 714.5756 2046.2141 1946.0038 106.4939 -206343.8701 18010.2776 0.0000 0.0000 34092.3122 -149427.9929 297.7366 -183520.3051 -149331.0936 299.1976 105.8204 135.2394 558750.4963 8.1341 8.2017 LDB: ============= START OF LOAD BALANCING ============== 11950.3 LDB: ============== END OF LOAD BALANCING =============== 11950.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11950.3 LDB: ============= START OF LOAD BALANCING ============== 11950.6 LDB: Largest compute 4802 load 0.026091 is 22.0% of average load 0.118330 LDB: Average compute 0.001722 is 1.5% of average load 0.118330 LDB: TIME 11950.6 LOAD: AVG 0.11833 MAX 0.209991 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.25 MB LDB: TIME 11950.6 LOAD: AVG 0.11833 MAX 0.209991 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.25 MB LDB: TIME 11950.6 LOAD: AVG 0.11833 MAX 0.209991 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.25 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11950.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11950.6 PRESSURE: 3972400 -379.545 32.6225 -97.0843 32.6234 -92.5694 68.9875 -97.0846 68.9889 -9.02275 GPRESSURE: 3972400 -289.507 69.6119 -50.131 -13.9332 -97.7622 -24.923 -91.4168 88.5343 -7.61706 PRESSAVG: 3972400 -53.09 -10.1578 -1.53731 -10.1577 31.3555 4.30193 -1.53736 4.30171 -17.0367 GPRESSAVG: 3972400 -51.932 -9.38314 -0.265723 -7.37594 29.7041 5.92896 -4.54007 3.85433 -16.8933 TIMING: 3972400 CPU: 11947.4, 0.00306346/step Wall: 11947.4, 0.00306346/step, 0.874446 hours remaining, 208.417969 MB of memory in use. ENERGY: 3972400 769.7388 2024.4628 1956.8919 117.8683 -205973.8528 17557.2293 0.0000 0.0000 34051.5131 -149496.1485 297.3803 -183547.6617 -149397.8332 298.1624 -160.3792 -131.6288 558181.1352 -12.9237 -13.0404 PRESSURE: 3972600 117.846 -47.4313 148.161 -47.4316 -43.7642 -34.0922 148.161 -34.0912 -6.36836 GPRESSURE: 3972600 111.322 -95.6057 83.3874 19.6646 -18.4762 -109.352 172.877 -74.3107 78.61 PRESSAVG: 3972600 -77.7817 -17.4521 -40.1185 -17.4521 22.6969 32.2624 -40.1184 32.2624 103.026 GPRESSAVG: 3972600 -78.6849 -18.1941 -40.4755 -18.8891 25.0958 31.117 -40.778 31.8348 102.255 TIMING: 3972600 CPU: 11948, 0.00298595/step Wall: 11948, 0.00298595/step, 0.852156 hours remaining, 208.621094 MB of memory in use. ENERGY: 3972600 762.8688 2082.1656 1888.4845 106.6212 -206595.0953 17913.4070 0.0000 0.0000 34217.0894 -149624.4589 298.8264 -183841.5483 -149523.0209 298.1371 22.5712 57.1521 556705.0314 15.9805 16.2220 PRESSURE: 3972800 289.601 16.6896 47.9378 16.6893 305.484 -133.848 47.937 -133.849 -351.625 GPRESSURE: 3972800 286.25 79.2082 8.48498 71.4942 263.732 -115.495 32.8959 -80.6271 -226.129 PRESSAVG: 3972800 -21.9748 3.53824 6.18178 3.53818 14.3982 0.172943 6.18187 0.172978 9.2155 GPRESSAVG: 3972800 -21.1018 4.45727 4.70243 3.04719 12.3596 2.10636 9.09653 -0.106089 9.20431 TIMING: 3972800 CPU: 11948.6, 0.00297156/step Wall: 11948.6, 0.00297156/step, 0.847886 hours remaining, 208.621094 MB of memory in use. ENERGY: 3972800 734.6872 2093.3019 1956.1233 102.4401 -206358.7318 17967.8734 0.0000 0.0000 33983.9185 -149520.3872 296.7900 -183504.3058 -149426.1949 298.8732 81.1530 107.9512 556641.1224 0.5463 0.1540 PRESSURE: 3973000 -83.3912 29.5418 60.047 29.5443 -18.6723 4.66659 60.0467 4.66462 -366.255 GPRESSURE: 3973000 -46.0429 29.8552 44.0583 -22.4947 4.42798 2.45759 47.2409 33.9976 -324.548 PRESSAVG: 3973000 15.2345 17.2911 -60.9093 17.2912 11.7574 -50.5711 -60.9093 -50.5711 -21.097 GPRESSAVG: 3973000 13.8286 16.8543 -59.96 19.2806 12.9656 -54.2621 -61.2557 -49.2607 -20.963 TIMING: 3973000 CPU: 11949.2, 0.00296297/step Wall: 11949.2, 0.00296297/step, 0.845269 hours remaining, 208.621094 MB of memory in use. ENERGY: 3973000 734.1791 2096.9695 1930.2751 110.6873 -206200.6336 17641.0053 0.0000 0.0000 34227.4138 -149460.1035 298.9165 -183687.5173 -149372.1143 298.7554 -156.1061 -122.0542 557039.8008 1.9649 1.9437 PRESSURE: 3973200 212.283 179.342 114.636 179.343 -8.30524 -82.5717 114.635 -82.5719 -29.6052 GPRESSURE: 3973200 269.582 239.497 163.1 42.6659 -32.802 1.55001 36.446 -63.2861 34.2991 PRESSAVG: 3973200 -16.3979 46.3464 -17.6213 46.3465 -18.0575 -6.94512 -17.6213 -6.94521 29.7749 GPRESSAVG: 3973200 -16.443 44.5824 -17.837 47.5277 -18.434 -3.77842 -15.9392 -8.11942 30.0563 TIMING: 3973200 CPU: 11949.8, 0.00295564/step Wall: 11949.8, 0.00295564/step, 0.843014 hours remaining, 208.621094 MB of memory in use. ENERGY: 3973200 753.7933 2085.3657 1957.4739 119.0112 -206607.2062 18014.5538 0.0000 0.0000 34176.7221 -149500.2861 298.4738 -183677.0082 -149401.8415 298.4382 58.1242 90.3596 556299.7612 -1.5601 -1.6069 PRESSURE: 3973400 -206.756 143.232 -151.484 143.233 -69.7819 -5.50974 -151.485 -5.50999 -323.588 GPRESSURE: 3973400 -152.121 189.518 -90.6458 102.398 -64.5313 15.7248 -188.101 -77.042 -289.723 PRESSAVG: 3973400 40.8312 -20.7007 8.69535 -20.7007 2.61608 -20.3923 8.69529 -20.3922 -24.4049 GPRESSAVG: 3973400 41.2474 -20.1125 9.79819 -22.7784 2.06874 -23.1685 6.3375 -16.9197 -23.8941 TIMING: 3973400 CPU: 11950.4, 0.003024/step Wall: 11950.4, 0.003024/step, 0.862343 hours remaining, 208.621094 MB of memory in use. ENERGY: 3973400 778.1956 2044.8970 1938.3921 108.6538 -205826.2866 17351.4468 0.0000 0.0000 34271.9357 -149332.7656 299.3053 -183604.7013 -149228.9394 299.3487 -200.0419 -168.7917 556747.8331 6.3475 6.4740 PRESSURE: 3973600 -125.009 -15.7614 -14.9259 -15.7625 -101.228 246.609 -14.9259 246.608 75.8864 GPRESSURE: 3973600 -64.4409 -66.4185 -57.1707 52.7401 -66.4707 218.972 -4.69725 197.352 83.1633 PRESSAVG: 3973600 -12.0975 23.923 -22.9631 23.9229 -70.2371 25.481 -22.9632 25.481 18.121 GPRESSAVG: 3973600 -11.1735 23.982 -24.5412 23.9178 -69.3966 27.3728 -21.8056 22.1163 16.7025 TIMING: 3973600 CPU: 11951, 0.00299261/step Wall: 11951, 0.00299261/step, 0.853227 hours remaining, 208.824219 MB of memory in use. ENERGY: 3973600 755.6263 2098.1081 1942.1256 116.3337 -206529.4215 17801.7026 0.0000 0.0000 34384.4586 -149431.0666 300.2880 -183815.5252 -149337.4504 299.3687 -50.1168 -15.9161 556209.9786 -21.4045 -21.2892 PRESSURE: 3973800 -227.59 -187.73 -0.205826 -187.729 -345.554 38.1262 -0.20559 38.1249 -244.793 GPRESSURE: 3973800 -165.034 -194.654 16.5725 -263.036 -393.001 25.914 -19.9188 -32.0694 -157.258 PRESSAVG: 3973800 5.9167 0.875708 -8.87866 0.875765 -28.988 -17.5766 -8.87866 -17.5767 58.8978 GPRESSAVG: 3973800 5.9239 0.0410194 -9.22427 1.12536 -29.3786 -18.0117 -10.042 -16.3556 59.5682 TIMING: 3973800 CPU: 11951.5, 0.00297168/step Wall: 11951.5, 0.00297168/step, 0.847095 hours remaining, 208.824219 MB of memory in use. ENERGY: 3973800 778.7788 2148.4075 1959.1934 122.8517 -206174.7368 17645.1117 0.0000 0.0000 33981.0868 -149539.3068 296.7653 -183520.3936 -149446.2267 298.6823 -272.6456 -238.4312 557870.8265 11.9422 12.0378 PRESSURE: 3974000 -57.8908 35.2129 61.2628 35.2142 165.068 24.5113 61.2619 24.5105 135.134 GPRESSURE: 3974000 -9.30262 -21.8774 -20.5859 85.0805 155.658 33.9557 87.0599 51.5757 195.263 PRESSAVG: 3974000 32.5048 -4.35329 -24.9557 -4.35334 12.2365 -53.739 -24.9556 -53.7389 -42.8333 GPRESSAVG: 3974000 32.3907 -1.17489 -24.3482 -7.38441 11.7529 -52.7352 -23.5444 -53.934 -41.7389 TIMING: 3974000 CPU: 11952.1, 0.00299647/step Wall: 11952.1, 0.00299647/step, 0.853994 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: 3974000 778.4960 2090.5014 1933.5533 112.7715 -206840.7400 18144.4590 0.0000 0.0000 34222.8323 -149558.1265 298.8765 -183780.9588 -149460.3419 298.0596 80.7702 113.8728 556025.6854 0.6360 0.8016 PRESSURE: 3974200 -174.356 170.359 -98.138 170.359 -146.311 30.672 -98.1386 30.6718 -103.838 GPRESSURE: 3974200 -129.868 222.635 -5.54478 209.229 -95.4242 -5.50322 -146.177 46.1605 -97.2627 PRESSAVG: 3974200 -36.4286 33.1862 -3.43559 33.1861 3.13439 37.3701 -3.43546 37.37 69.2155 GPRESSAVG: 3974200 -37.0272 30.9875 -3.40018 34.9496 4.49119 36.8442 -2.64474 37.4411 68.4394 TIMING: 3974200 CPU: 11952.7, 0.00299848/step Wall: 11952.7, 0.00299848/step, 0.854401 hours remaining, 208.824219 MB of memory in use. ENERGY: 3974200 785.9642 2137.6276 1895.3818 118.4442 -205950.6697 17724.0505 0.0000 0.0000 34068.1701 -149221.0313 297.5258 -183289.2014 -149123.0322 298.6597 -141.5018 -107.5183 557212.3053 11.9738 11.9678 PRESSURE: 3974400 -111.924 -80.286 -36.2952 -80.2868 -274.666 -148.522 -36.295 -148.523 -189.134 GPRESSURE: 3974400 -77.8524 -144.049 3.80897 8.85075 -252.684 -32.2581 19.6847 -155.642 -156.083 PRESSAVG: 3974400 21.7795 57.2994 -69.4033 57.2993 -4.5718 -29.9061 -69.4033 -29.9062 -38.1775 GPRESSAVG: 3974400 21.924 58.7108 -67.8738 56.398 -5.93452 -28.6111 -67.8528 -28.9198 -37.7457 TIMING: 3974400 CPU: 11953.3, 0.00298642/step Wall: 11953.3, 0.00298642/step, 0.850797 hours remaining, 208.824219 MB of memory in use. ENERGY: 3974400 760.2007 2111.9808 1985.5994 116.5274 -205756.8131 17528.3233 0.0000 0.0000 34193.3324 -149060.8491 298.6189 -183254.1815 -148967.0849 299.2361 -191.9081 -162.2065 557506.3415 -6.9899 -7.2521 PRESSURE: 3974600 -385.415 -78.7117 51.3491 -78.7108 -251.002 62.5117 51.3497 62.5127 -273.246 GPRESSURE: 3974600 -312.65 -40.5843 -4.69313 -5.76209 -254.642 89.2426 -38.4821 5.97502 -231.269 PRESSAVG: 3974600 29.0427 -11.725 24.6813 -11.7251 -46.5228 -6.45673 24.6813 -6.45666 23.3078 GPRESSAVG: 3974600 28.6851 -11.0906 25.3722 -10.1015 -45.3299 -8.16141 23.8286 -5.87489 22.6032 TIMING: 3974600 CPU: 11953.9, 0.00300341/step Wall: 11953.9, 0.00300341/step, 0.85547 hours remaining, 208.824219 MB of memory in use. ENERGY: 3974600 780.3393 2122.2441 1971.7247 135.1397 -205824.1290 17297.7438 0.0000 0.0000 34374.0677 -149142.8697 300.1973 -183516.9375 -149046.2591 299.8521 -303.2209 -266.1870 557400.1936 1.9425 1.9861 PRESSURE: 3974800 -83.7924 -44.2228 -229.374 -44.2224 -147.296 -11.0392 -229.372 -11.0399 104.953 GPRESSURE: 3974800 -91.0519 -49.4842 -230.161 -77.3193 -99.2668 62.3955 -130.242 50.0879 157.836 PRESSAVG: 3974800 -45.9266 -12.2732 -17.898 -12.2732 19.1431 3.14314 -17.898 3.14311 -29.5132 GPRESSAVG: 3974800 -45.0371 -14.5386 -18.9917 -9.88195 18.4694 3.69207 -19.0518 1.79599 -29.7222 TIMING: 3974800 CPU: 11954.5, 0.00301318/step Wall: 11954.5, 0.00301318/step, 0.858087 hours remaining, 208.824219 MB of memory in use. ENERGY: 3974800 773.2996 2094.8407 1948.9432 128.6915 -205979.7847 17828.5909 0.0000 0.0000 34130.3284 -149075.0904 298.0686 -183205.4188 -148978.0922 299.5977 -42.0451 -10.8275 558213.3571 -18.7656 -18.7633 PRESSURE: 3975000 -173.803 118.162 -44.7857 118.162 -68.767 119.017 -44.7864 119.017 -23.5062 GPRESSURE: 3975000 -131.775 100.227 -40.1556 95.3084 -45.573 135.757 -70.4182 135.021 4.27435 PRESSAVG: 3975000 8.36541 40.8143 -7.62786 40.8143 4.36807 -18.7885 -7.62791 -18.7886 -7.38897 GPRESSAVG: 3975000 8.86003 39.5143 -7.51862 38.7145 3.56399 -18.592 -8.5597 -18.918 -6.81921 TIMING: 3975000 CPU: 11955.1, 0.00298086/step Wall: 11955.1, 0.00298086/step, 0.848717 hours remaining, 208.824219 MB of memory in use. ENERGY: 3975000 732.8584 2055.6669 1946.7450 113.8472 -206137.1553 17727.1059 0.0000 0.0000 34411.2821 -149149.6498 300.5223 -183560.9319 -149050.0085 299.9942 -88.6922 -57.6912 557480.4570 1.7815 1.8683 PRESSURE: 3975200 143.069 136.168 -37.6629 136.167 144.456 -339.476 -37.6645 -339.476 43.9222 GPRESSURE: 3975200 208.472 223.114 -37.7267 107.805 164.948 -349.585 -21.7887 -352.307 46.6286 PRESSAVG: 3975200 -34.8378 -42.8818 -33.2179 -42.8817 -0.523336 -38.95 -33.2178 -38.9501 36.249 GPRESSAVG: 3975200 -35.2205 -40.6202 -35.5248 -43.4303 0.471129 -40.2424 -30.622 -39.7149 35.7107 TIMING: 3975200 CPU: 11955.7, 0.00295679/step Wall: 11955.7, 0.00295679/step, 0.841699 hours remaining, 208.824219 MB of memory in use. ENERGY: 3975200 724.1141 2089.4759 1928.6250 105.7446 -206516.8901 18004.1741 0.0000 0.0000 34325.3334 -149339.4230 299.7717 -183664.7564 -149242.8083 298.8575 110.4824 140.0163 556546.1666 0.2960 0.3205 PRESSURE: 3975400 67.278 -208.33 11.4056 -208.331 125.58 -73.9594 11.4065 -73.9603 219.714 GPRESSURE: 3975400 76.9467 -210.47 -23.1017 -203.883 168.012 -46.8584 -33.3135 -56.6997 272.437 PRESSAVG: 3975400 19.8008 -2.88793 -34.9979 -2.88788 -11.4259 0.778208 -34.9978 0.778133 -16.3154 GPRESSAVG: 3975400 20.183 -3.63906 -32.6593 -2.66528 -12.8958 3.15267 -35.524 -0.639988 -15.1529 TIMING: 3975400 CPU: 11956.3, 0.00296511/step Wall: 11956.3, 0.00296511/step, 0.843904 hours remaining, 208.824219 MB of memory in use. ENERGY: 3975400 737.6898 2034.2407 1909.2346 106.3755 -206164.0519 17882.2761 0.0000 0.0000 34073.4546 -149420.7806 297.5720 -183494.2352 -149325.8659 298.6865 137.5241 172.4651 557819.3901 -2.6468 -2.6219 PRESSURE: 3975600 -60.3522 14.813 90.0205 14.8128 -43.7491 -13.693 90.0201 -13.6931 -80.0903 GPRESSURE: 3975600 -24.0935 -12.1447 127.836 132.863 -5.83319 -13.4464 47.7843 -20.2363 -62.1415 PRESSAVG: 3975600 -33.7244 6.31434 -2.98501 6.31436 55.9159 -6.58127 -2.98493 -6.58125 -43.5571 GPRESSAVG: 3975600 -33.6293 6.86106 -3.66227 6.35732 57.3673 -8.92926 -3.43853 -2.38957 -45.3339 TIMING: 3975600 CPU: 11956.9, 0.00296551/step Wall: 11956.9, 0.00296551/step, 0.843852 hours remaining, 208.824219 MB of memory in use. ENERGY: 3975600 725.2770 2052.3625 1929.7921 118.5070 -206509.3713 17878.3029 0.0000 0.0000 34272.3814 -149532.7484 299.3092 -183805.1298 -149437.9444 297.8401 -61.3972 -30.6894 558408.2637 -7.1219 -7.1986 PRESSURE: 3975800 -76.877 31.4967 49.3826 31.496 37.7279 66.4427 49.3818 66.4422 32.5027 GPRESSURE: 3975800 -103.869 -116.867 121.095 70.6375 132 50.6286 -14.7828 57.8312 61.86 PRESSAVG: 3975800 4.12846 -26.5895 5.87332 -26.5896 76.486 -18.6248 5.87322 -18.6248 -65.0554 GPRESSAVG: 3975800 4.18944 -25.5435 3.82256 -25.38 76.0817 -20.248 7.2506 -19.7369 -64.4655 TIMING: 3975800 CPU: 11957.5, 0.00298525/step Wall: 11957.5, 0.00298525/step, 0.849304 hours remaining, 208.824219 MB of memory in use. ENERGY: 3975800 728.3127 2060.8836 1920.8733 113.0805 -206192.5796 17733.1728 0.0000 0.0000 34114.8101 -149521.4466 297.9331 -183636.2566 -149425.9910 298.2534 -2.2155 29.9971 557305.5867 5.1863 5.2686 PRESSURE: 3976000 -170.553 99.7257 43.7735 99.7267 141.036 -24.1353 43.773 -24.1362 -170.466 GPRESSURE: 3976000 -136.427 61.3954 0.774337 7.44332 176.048 -31.4493 22.8388 -51.2238 -151.676 PRESSAVG: 3976000 13.8714 12.8127 -5.05989 12.8127 80.0977 -39.312 -5.05998 -39.3121 -71.6366 GPRESSAVG: 3976000 13.0978 12.6627 -3.16522 11.5119 80.245 -37.6976 -6.48309 -41.374 -71.4006 TIMING: 3976000 CPU: 11958.1, 0.00299715/step Wall: 11958.1, 0.00299715/step, 0.852524 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: 3976000 776.4804 2066.7175 1927.9438 105.1009 -206000.7240 17692.6073 0.0000 0.0000 34095.5555 -149336.3185 297.7650 -183431.8740 -149249.4778 298.4029 -66.6612 -37.3514 556719.0637 7.4442 7.3141 PRESSURE: 3976200 148.114 31.2257 19.6972 31.225 356.784 -35.5729 19.697 -35.5711 195.954 GPRESSURE: 3976200 129.783 50.1882 47.7867 46.7317 412.564 -20.8223 4.89718 -27.8846 242.147 PRESSAVG: 3976200 19.6038 -22.2602 -7.09052 -22.2601 26.5242 -23.5474 -7.09048 -23.5474 -16.2934 GPRESSAVG: 3976200 19.0796 -23.4899 -8.2452 -20.7087 26.9122 -23.7155 -7.81553 -22.2136 -16.5258 TIMING: 3976200 CPU: 11958.7, 0.00296993/step Wall: 11958.7, 0.00296993/step, 0.844616 hours remaining, 208.824219 MB of memory in use. ENERGY: 3976200 750.4705 2080.8723 1910.0882 112.5002 -206605.9013 18113.6069 0.0000 0.0000 34249.8876 -149388.4755 299.1128 -183638.3631 -149294.2124 298.6315 233.6175 261.4981 556115.1134 9.9449 9.8220 LDB: ============= START OF LOAD BALANCING ============== 11962.2 LDB: ============== END OF LOAD BALANCING =============== 11962.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11962.2 LDB: ============= START OF LOAD BALANCING ============== 11962.5 LDB: Largest compute 4802 load 0.028755 is 24.3% of average load 0.118313 LDB: Average compute 0.001725 is 1.5% of average load 0.118313 LDB: TIME 11962.5 LOAD: AVG 0.118313 MAX 0.210065 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.738 MB LDB: TIME 11962.5 LOAD: AVG 0.118313 MAX 0.210065 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.809 MB LDB: TIME 11962.5 LOAD: AVG 0.118313 MAX 0.210065 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.809 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11962.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11962.5 PRESSURE: 3976400 222.083 23.8317 -42.63 23.8326 -3.24668 56.7159 -42.6301 56.7137 168.986 GPRESSURE: 3976400 171.384 103.668 -55.5101 -4.78145 94.2744 17.7669 -103.978 91.3626 209.129 PRESSAVG: 3976400 48.2057 63.9774 -14.048 63.9774 23.0093 -92.7771 -14.048 -92.777 -56.4857 GPRESSAVG: 3976400 48.9076 64.2599 -12.5058 62.2308 22.3797 -93.1948 -13.909 -94.9575 -56.5602 TIMING: 3976400 CPU: 11959.3, 0.00301517/step Wall: 11959.3, 0.00301517/step, 0.857314 hours remaining, 208.996094 MB of memory in use. ENERGY: 3976400 724.3854 2024.3495 1920.0703 101.6901 -206318.5177 17825.0793 0.0000 0.0000 34333.8934 -149389.0498 299.8464 -183722.9432 -149293.1689 298.9207 129.2740 158.2624 556376.9948 4.9097 4.9090 PRESSURE: 3976600 83.5061 125.064 162.638 125.064 150.73 95.3087 162.639 95.3095 119.211 GPRESSURE: 3976600 144.662 94.9541 141.243 218.608 203.698 109.345 129.628 52.2096 114.662 PRESSAVG: 3976600 60.7181 -23.9754 18.4523 -23.9754 10.3617 -19.9636 18.4522 -19.9634 -16.0984 GPRESSAVG: 3976600 59.2296 -23.8007 17.7167 -23.6725 10.0542 -18.7296 17.4517 -18.6501 -13.9551 TIMING: 3976600 CPU: 11959.9, 0.00296616/step Wall: 11959.9, 0.00296616/step, 0.843213 hours remaining, 208.996094 MB of memory in use. ENERGY: 3976600 723.9175 2069.8726 1930.1876 106.0770 -206392.3185 17967.0409 0.0000 0.0000 34235.8896 -149359.3332 298.9905 -183595.2229 -149266.3672 299.6284 117.8155 154.3409 556335.0815 18.3271 18.4429 PRESSURE: 3976800 282.86 3.56532 76.3151 3.56419 -7.00236 -114.666 76.3139 -114.669 43.6432 GPRESSURE: 3976800 342.452 67.4323 79.3338 -57.5234 27.1628 -114.516 12.9245 -72.857 58.9228 PRESSAVG: 3976800 45.3262 3.35611 45.3259 3.35612 -34.0692 -33.7365 45.3258 -33.7364 -6.58175 GPRESSAVG: 3976800 46.5539 3.89955 44.7643 3.27622 -35.095 -35.9733 47.9454 -32.6917 -6.50498 TIMING: 3976800 CPU: 11960.5, 0.00297724/step Wall: 11960.5, 0.00297724/step, 0.846199 hours remaining, 208.996094 MB of memory in use. ENERGY: 3976800 765.8769 2071.1263 1926.4983 109.9098 -206668.7939 18026.9318 0.0000 0.0000 34376.7299 -149391.7209 300.2205 -183768.4508 -149303.1033 298.6972 106.5002 142.8458 556216.9498 1.5584 1.6513 PRESSURE: 3977000 -32.5656 -41.9106 83.4145 -41.9109 -78.5233 -2.68923 83.4142 -2.68906 -59.618 GPRESSURE: 3977000 43.8629 44.4151 77.1327 -71.4714 -53.5301 5.14864 78.5383 10.3018 -66.3913 PRESSAVG: 3977000 -25.0548 3.67188 9.45048 3.6719 17.393 -16.4508 9.45049 -16.4507 -21.6437 GPRESSAVG: 3977000 -24.5668 2.12665 11.6565 5.36494 18.0206 -16.6072 8.10198 -14.8888 -22.0674 TIMING: 3977000 CPU: 11961.1, 0.00295752/step Wall: 11961.1, 0.00295752/step, 0.84043 hours remaining, 208.996094 MB of memory in use. ENERGY: 3977000 727.2293 2073.6219 1935.2320 110.6724 -206016.5376 17606.5123 0.0000 0.0000 34235.5280 -149327.7418 298.9874 -183563.2698 -149226.3855 298.7839 -56.9023 -25.3528 557221.1282 -9.7685 -9.5379 PRESSURE: 3977200 -184.904 25.7441 -57.4519 25.7429 59.357 115.37 -57.4516 115.37 26.3444 GPRESSURE: 3977200 -149.777 125.957 -107.035 25.4131 78.1208 117.786 -43.8327 82.9452 65.9865 PRESSAVG: 3977200 14.5276 52.9749 -16.0137 52.975 39.8928 58.0688 -16.0136 58.069 -33.68 GPRESSAVG: 3977200 15.5485 55.9466 -15.5814 50.5503 39.6312 59.0076 -16.0709 58.1266 -34.4909 TIMING: 3977200 CPU: 11961.7, 0.00297854/step Wall: 11961.7, 0.00297854/step, 0.846235 hours remaining, 208.996094 MB of memory in use. ENERGY: 3977200 770.1341 2044.7064 1945.9632 111.7454 -205952.7566 17696.7066 0.0000 0.0000 34284.7160 -149098.7850 299.4170 -183383.5010 -149002.3893 299.0989 -33.0676 -1.8898 556064.2987 6.9135 6.8963 PRESSURE: 3977400 -288.62 -63.0833 -59.9676 -63.0819 -278.861 -42.8863 -59.9665 -42.8859 10.8951 GPRESSURE: 3977400 -259.303 -76.4604 5.80602 -70.9188 -249.677 -8.78689 -33.0041 -40.3074 47.9474 PRESSAVG: 3977400 12.9315 -12.2169 -3.71013 -12.2168 42.4004 -14.9876 -3.71017 -14.9876 -9.94558 GPRESSAVG: 3977400 11.3539 -13.2578 -4.19964 -15.0016 42.9075 -14.8459 -4.54596 -16.7827 -9.12957 TIMING: 3977400 CPU: 11962.3, 0.00296558/step Wall: 11962.3, 0.00296558/step, 0.842389 hours remaining, 208.996094 MB of memory in use. ENERGY: 3977400 760.5466 2073.8242 1947.8859 112.8181 -205802.7486 17452.5999 0.0000 0.0000 34306.7227 -149148.3511 299.6091 -183455.0738 -149043.8383 299.6194 -185.5287 -153.6776 557383.7850 15.1288 15.0439 PRESSURE: 3977600 -172.55 -63.3228 140.075 -63.3219 -171.339 44.8333 140.076 44.8334 -33.6796 GPRESSURE: 3977600 -210.187 -40.737 190.218 25.695 -97.3666 19.1576 95.9572 96.7882 22.2784 PRESSAVG: 3977600 -29.0561 -42.2694 -2.76064 -42.2695 -33.6859 44.7925 -2.76064 44.7924 25.8117 GPRESSAVG: 3977600 -27.509 -42.5712 -3.9692 -39.7112 -35.5916 45.8624 -1.01708 45.2529 26.4085 TIMING: 3977600 CPU: 11962.9, 0.00298598/step Wall: 11962.9, 0.00298598/step, 0.848018 hours remaining, 208.996094 MB of memory in use. ENERGY: 3977600 771.8056 2039.3519 1933.4743 121.3564 -205911.6368 17730.2725 0.0000 0.0000 34257.1372 -149058.2389 299.1761 -183315.3761 -148958.2761 299.6112 -125.8561 -95.0916 557761.1019 -12.3101 -12.2307 PRESSURE: 3977800 -42.0972 50.0861 39.8352 50.0854 16.612 94.4417 39.8349 94.4437 -35.9482 GPRESSURE: 3977800 6.095 5.20123 31.2285 -31.6238 12.7598 93.6703 59.8158 81.8497 31.325 PRESSAVG: 3977800 -35.319 -27.6837 30.7721 -27.6837 49.2806 33.1459 30.7721 33.1459 -14.6712 GPRESSAVG: 3977800 -35.8254 -26.7749 30.0446 -28.7513 51.129 30.549 31.6597 34.0904 -15.8857 TIMING: 3977800 CPU: 11963.5, 0.00297073/step Wall: 11963.5, 0.00297073/step, 0.843522 hours remaining, 208.996094 MB of memory in use. ENERGY: 3977800 714.9018 2144.6979 1941.6610 120.7417 -205943.7237 17609.1100 0.0000 0.0000 34244.4900 -149168.1213 299.0656 -183412.6113 -149066.5009 299.8384 -20.4778 16.7266 556456.4534 -0.2365 -0.1940 PRESSURE: 3978000 75.6782 -109.287 2.36319 -109.288 10.2579 -86.3748 2.36191 -86.374 -46.1341 GPRESSURE: 3978000 129.238 -144.887 -18.7575 -51.8127 11.9963 -60.1172 -50.2384 24.4803 -16.1391 PRESSAVG: 3978000 4.34037 -18.4571 -23.8092 -18.4572 33.0014 -5.20312 -23.8091 -5.20304 -16.9248 GPRESSAVG: 3978000 5.17145 -20.9002 -24.1516 -16.6649 31.6402 -3.42492 -25.1089 -5.79728 -16.2065 TIMING: 3978000 CPU: 11964.1, 0.00298461/step Wall: 11964.1, 0.00298461/step, 0.847297 hours remaining, 208.996094 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: 3978000 742.3195 2097.3584 1932.0976 126.3011 -205950.5113 17596.1109 0.0000 0.0000 34197.6824 -149258.6413 298.6569 -183456.3237 -149162.1064 299.5336 13.2673 41.6984 556624.9238 6.8057 6.8684 PRESSURE: 3978200 -71.8465 -35.8003 -51.6471 -35.7985 92.2426 64.5593 -51.6455 64.5599 -88.8358 GPRESSURE: 3978200 -52.0417 -132.036 -115.337 -4.03461 165.92 69.268 -11.1605 53.4077 -91.224 PRESSAVG: 3978200 -1.03762 -47.9056 -45.3348 -47.9056 -9.37968 32.6551 -45.3347 32.6551 -0.0611116 GPRESSAVG: 3978200 -1.65352 -48.309 -43.8583 -49.0164 -8.98484 32.7829 -47.9028 32.4824 -0.0121074 TIMING: 3978200 CPU: 11964.7, 0.00297766/step Wall: 11964.7, 0.00297766/step, 0.845158 hours remaining, 208.996094 MB of memory in use. ENERGY: 3978200 718.8168 2101.6028 1906.9623 108.7221 -206302.8813 17792.7747 0.0000 0.0000 34330.0494 -149343.9533 299.8129 -183674.0027 -149248.1491 298.8113 -22.8133 7.5515 556800.1402 -3.4928 -3.5502 PRESSURE: 3978400 -170.568 -172.513 -43.3065 -172.511 96.0911 155.006 -43.3081 155.006 52.9832 GPRESSURE: 3978400 -113.071 -236.928 -31.7755 -165.987 161.865 189.439 90.8431 101.064 32.8895 PRESSAVG: 3978400 23.5478 -79.4706 -10.312 -79.4707 46.489 59.7312 -10.3119 59.7312 -35.81 GPRESSAVG: 3978400 23.3688 -77.7489 -10.7918 -80.4816 46.9692 61.0994 -6.29928 58.8244 -35.8253 TIMING: 3978400 CPU: 11965.3, 0.00297016/step Wall: 11965.3, 0.00297016/step, 0.842865 hours remaining, 208.996094 MB of memory in use. ENERGY: 3978400 752.8421 2044.8921 1973.4892 115.9944 -206469.2517 17982.2330 0.0000 0.0000 34453.7936 -149146.0073 300.8935 -183599.8009 -149051.7675 299.4189 -7.1645 27.2280 557322.8910 11.4089 11.5042 PRESSURE: 3978600 -98.8947 -168.932 -213.226 -168.933 -274.287 -63.3459 -213.225 -63.3469 -152.848 GPRESSURE: 3978600 -60.6002 -196.475 -227.272 -159.032 -243.636 -78.2616 -169.489 -2.57579 -107.662 PRESSAVG: 3978600 9.85655 -51.9374 -48.9996 -51.9374 1.98816 22.8088 -48.9997 22.8088 11.8765 GPRESSAVG: 3978600 10.2012 -53.1059 -48.5296 -50.0688 1.19178 21.1172 -50.3426 21.643 12.2302 TIMING: 3978600 CPU: 11965.9, 0.00296952/step Wall: 11965.9, 0.00296952/step, 0.842519 hours remaining, 208.996094 MB of memory in use. ENERGY: 3978600 770.5885 2057.0644 1922.2005 113.8584 -205961.0000 17671.2844 0.0000 0.0000 34248.3564 -149177.6474 299.0994 -183426.0038 -149075.7690 299.7334 -175.3431 -137.2993 558489.9179 7.9071 7.8744 PRESSURE: 3978800 -336.824 70.9539 83.0331 70.9534 -68.3542 106.586 83.0321 106.587 6.99525 GPRESSURE: 3978800 -311.066 94.7809 5.33178 30.6995 -15.7398 80.1198 134.588 73.5664 25.2417 PRESSAVG: 3978800 -35.3398 -32.9908 -46.7415 -32.9908 72.6009 20.6872 -46.7414 20.6872 -48.8763 GPRESSAVG: 3978800 -35.884 -34.1507 -46.8537 -33.8855 73.9706 21.0989 -47.804 21.4021 -49.4801 TIMING: 3978800 CPU: 11966.5, 0.00299308/step Wall: 11966.5, 0.00299308/step, 0.849036 hours remaining, 208.996094 MB of memory in use. ENERGY: 3978800 733.2379 2121.4837 1924.5193 109.0738 -206181.7755 17723.3323 0.0000 0.0000 34293.3072 -149276.8213 299.4920 -183570.1285 -149176.3672 299.4796 -132.7278 -100.5212 558118.6871 -3.8717 -3.7978 PRESSURE: 3979000 125.059 -31.0747 27.6181 -31.0752 281.698 -22.9823 27.6183 -22.9819 121.147 GPRESSURE: 3979000 94.4547 -20.9799 -66.2421 -1.71333 328.566 -41.5079 21.9181 -66.3912 206.622 PRESSAVG: 3979000 -3.75527 -65.3145 16.1402 -65.3144 10.485 39.9974 16.1402 39.9975 29.4544 GPRESSAVG: 3979000 -3.58635 -63.4887 14.463 -65.4988 10.7568 39.4664 16.0103 39.3512 29.3613 TIMING: 3979000 CPU: 11967.1, 0.00305068/step Wall: 11967.1, 0.00305068/step, 0.865207 hours remaining, 208.996094 MB of memory in use. ENERGY: 3979000 719.8374 2127.4665 1930.8665 118.6803 -206555.2311 18065.5220 0.0000 0.0000 34300.7924 -149292.0660 299.5574 -183592.8584 -149195.2349 299.3289 175.9682 209.8807 557447.1573 12.0614 12.1772 PRESSURE: 3979200 72.9079 55.6911 -124.361 55.6903 -46.6014 68.5418 -124.36 68.5416 18.6364 GPRESSURE: 3979200 98.8774 -139.896 -130.305 101.039 -13.1125 17.5075 -135.428 157.352 62.2598 PRESSAVG: 3979200 16.8048 -70.6235 -28.0312 -70.6235 -11.3398 59.5715 -28.0313 59.5716 -39.7454 GPRESSAVG: 3979200 17.1069 -72.2217 -25.876 -68.3918 -12.3052 58.0655 -27.2655 60.469 -38.9959 TIMING: 3979200 CPU: 11967.7, 0.00300284/step Wall: 11967.7, 0.00300284/step, 0.851471 hours remaining, 208.996094 MB of memory in use. ENERGY: 3979200 779.9483 2098.3988 1943.5464 98.5959 -206399.6919 17968.1452 0.0000 0.0000 34215.0081 -149296.0492 298.8082 -183511.0574 -149196.5261 299.5061 14.9809 49.3415 557685.4860 -11.4268 -11.3981 PRESSURE: 3979400 78.2884 107.897 146.063 107.897 15.1775 -69.1603 146.062 -69.1605 505.364 GPRESSURE: 3979400 106.935 35.1051 125.579 192.743 67.8959 45.7416 167.605 -67.3928 514.334 PRESSAVG: 3979400 -45.9885 -1.83253 42.2934 -1.83248 -13.5941 8.50307 42.2934 8.50294 64.195 GPRESSAVG: 3979400 -46.3 -3.46576 44.0356 -2.71263 -12.7484 10.7055 42.6077 8.12976 63.8242 TIMING: 3979400 CPU: 11968.3, 0.00296073/step Wall: 11968.3, 0.00296073/step, 0.839367 hours remaining, 208.996094 MB of memory in use. ENERGY: 3979400 747.5037 2104.9462 1943.8402 102.4694 -206738.5058 18213.7120 0.0000 0.0000 34293.6356 -149332.3988 299.4948 -183626.0343 -149234.8186 299.7244 199.6101 229.7216 557930.1478 1.5375 1.5919 PRESSURE: 3979600 -142.775 -115.84 63.2561 -115.84 -156.481 74.842 63.256 74.842 -136.799 GPRESSURE: 3979600 -75.0152 -128.646 79.3945 -125.966 -118.479 9.42113 66.4683 133.68 -142.825 PRESSAVG: 3979600 -30.9106 13.4815 30.9587 13.4816 -27.6957 -5.722 30.9588 -5.72208 -3.27479 GPRESSAVG: 3979600 -30.9757 15.7772 29.4814 10.6794 -27.9985 -6.73568 30.4519 -6.54693 -2.82085 TIMING: 3979600 CPU: 11968.9, 0.0029723/step Wall: 11968.9, 0.0029723/step, 0.842481 hours remaining, 208.996094 MB of memory in use. ENERGY: 3979600 777.8516 2132.2588 1949.4758 108.7637 -206102.6333 17598.6186 0.0000 0.0000 34211.1729 -149324.4919 298.7747 -183535.6649 -149229.4705 299.6347 -145.3514 -112.1066 558226.1669 -20.6270 -20.5984 PRESSURE: 3979800 -169.578 -5.67308 -43.1534 -5.67332 -70.4674 77.6371 -43.1535 77.6371 -9.10147 GPRESSURE: 3979800 -144.6 -33.7611 7.50653 68.2088 -66.7353 41.5957 -0.733693 59.9529 65.6719 PRESSAVG: 3979800 -45.5358 -2.75768 -55.563 -2.7576 53.8139 46.1806 -55.5631 46.1807 38.3508 GPRESSAVG: 3979800 -46.3561 -2.32134 -53.8889 -0.514747 54.6684 47.5056 -53.705 47.3834 38.7132 TIMING: 3979800 CPU: 11969.4, 0.00297446/step Wall: 11969.4, 0.00297446/step, 0.842928 hours remaining, 208.996094 MB of memory in use. ENERGY: 3979800 713.9437 2103.3427 1959.8011 118.7555 -206343.9296 17714.1082 0.0000 0.0000 34308.1342 -149425.8443 299.6215 -183733.9784 -149324.2172 299.2832 -83.0490 -48.5545 558139.2876 15.5430 15.6752 PRESSURE: 3980000 49.9701 145.154 -136.007 145.154 212.1 75.8432 -136.008 75.8423 197.789 GPRESSURE: 3980000 132.113 171.678 -189.262 170.484 188.053 152.161 -182.442 -24.4252 241.725 PRESSAVG: 3980000 -12.2393 -22.6814 -29.1064 -22.6813 14.3838 6.82808 -29.1064 6.82815 14.6521 GPRESSAVG: 3980000 -10.9329 -23.7765 -29.3562 -21.1473 13.3431 5.14676 -31.2602 7.63425 13.7352 TIMING: 3980000 CPU: 11970, 0.00298419/step Wall: 11970, 0.00298419/step, 0.845522 hours remaining, 208.996094 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: 3980000 689.2236 2086.4342 1938.0226 114.4101 -206431.5787 18132.2109 0.0000 0.0000 34020.9813 -149450.2960 297.1137 -183471.2773 -149360.6439 298.5389 153.2863 187.2970 557624.2440 5.5989 5.3818 PRESSURE: 3980200 136.404 -23.4204 48.4401 -23.4213 152.235 -313.993 48.4396 -313.994 119.13 GPRESSURE: 3980200 117.911 1.03287 66.145 33.2977 230.097 -215.372 76.7233 -418.957 144.615 PRESSAVG: 3980200 47.7027 -40.5512 59.081 -40.5512 -20.126 13.4503 59.0809 13.4502 -1.96625 GPRESSAVG: 3980200 45.7808 -38.5973 59.0235 -43.8048 -18.0755 16.7043 58.7138 10.2643 -1.99829 TIMING: 3980200 CPU: 11970.6, 0.00296688/step Wall: 11970.6, 0.00296688/step, 0.840452 hours remaining, 208.996094 MB of memory in use. ENERGY: 3980200 695.8856 2122.4871 1965.9598 112.8718 -206506.3668 18006.0803 0.0000 0.0000 34222.9854 -149380.0969 298.8778 -183603.0823 -149283.6169 299.3161 135.9232 164.2078 557849.2860 8.5368 8.5690 LDB: ============= START OF LOAD BALANCING ============== 11974.2 LDB: ============== END OF LOAD BALANCING =============== 11974.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11974.2 LDB: ============= START OF LOAD BALANCING ============== 11974.5 LDB: Largest compute 4802 load 0.029091 is 24.6% of average load 0.118211 LDB: Average compute 0.001730 is 1.5% of average load 0.118211 LDB: TIME 11974.5 LOAD: AVG 0.118211 MAX 0.209689 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.57 MB LDB: TIME 11974.5 LOAD: AVG 0.118211 MAX 0.209689 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.574 MB LDB: TIME 11974.5 LOAD: AVG 0.118211 MAX 0.209689 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.574 MB LDB: ============== END OF LOAD BALANCING =============== 11974.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11974.5 PRESSURE: 3980400 -19.0634 87.7191 15.3833 87.719 96.8249 -31.5036 15.3825 -31.5029 -250.484 GPRESSURE: 3980400 -24.3412 90.179 33.2913 39.5449 148.067 -6.55608 -30.1551 -41.2347 -207.897 PRESSAVG: 3980400 -7.89197 15.9375 8.61968 15.9374 2.36903 -15.5834 8.61964 -15.5834 41.5532 GPRESSAVG: 3980400 -7.07928 15.6451 6.34748 16.4945 0.792635 -17.8001 8.80864 -11.6552 42.0779 TIMING: 3980400 CPU: 11971.2, 0.00302822/step Wall: 11971.2, 0.00302822/step, 0.85766 hours remaining, 212.531250 MB of memory in use. ENERGY: 3980400 695.4939 2177.0468 1944.6558 118.4412 -206449.6699 17814.6635 0.0000 0.0000 34236.4085 -149462.9603 298.9951 -183699.3688 -149369.4606 299.2649 -57.5741 -28.0571 557678.2575 12.0101 11.9304 PRESSURE: 3980600 1.03142 73.4432 28.8325 73.4436 -67.8666 -80.5526 28.8325 -80.5523 -170.122 GPRESSURE: 3980600 5.77864 90.9793 31.761 37.7934 -5.25915 -17.9127 11.9682 -125.112 -148.992 PRESSAVG: 3980600 10.9707 25.4569 11.2432 25.4569 9.471 -5.52284 11.2432 -5.52283 -40.3746 GPRESSAVG: 3980600 10.9009 25.779 12.6681 26.3019 9.70628 -4.66084 11.0841 -7.34637 -40.5083 TIMING: 3980600 CPU: 11971.8, 0.00299019/step Wall: 11971.8, 0.00299019/step, 0.846722 hours remaining, 212.671875 MB of memory in use. ENERGY: 3980600 760.9596 2127.1158 1938.8779 115.9228 -206455.5547 17771.8350 0.0000 0.0000 34284.4170 -149456.4266 299.4143 -183740.8436 -149367.3774 299.0651 -78.9859 -49.4909 557153.6776 -6.6443 -6.6337 PRESSURE: 3980800 209.444 -100.966 96.3256 -100.965 -95.7015 82.9487 96.3246 82.9498 1.76252 GPRESSURE: 3980800 176.757 -91.1196 111.133 -106.394 -39.6354 69.6868 31.9916 35.7159 72.4799 PRESSAVG: 3980800 -29.028 -1.75993 23.9605 -1.75983 17.7281 4.44861 23.9604 4.44868 3.34255 GPRESSAVG: 3980800 -28.2948 -1.38614 24.0296 -1.82124 17.7668 3.12249 24.816 4.6196 3.16164 TIMING: 3980800 CPU: 11972.4, 0.00300748/step Wall: 11972.4, 0.00300748/step, 0.851451 hours remaining, 212.671875 MB of memory in use. ENERGY: 3980800 721.5025 2136.2184 1920.4543 121.7663 -206548.4009 17894.4300 0.0000 0.0000 34228.3056 -149525.7238 298.9243 -183754.0294 -149426.6004 298.7933 38.5016 69.8671 555968.2233 -2.6524 -2.4554 PRESSURE: 3981000 -380.463 30.367 7.24688 30.3669 -140.265 76.1934 7.24744 76.1945 -127.507 GPRESSURE: 3981000 -359.799 65.0145 39.7864 41.0385 -93.0372 68.5101 50.1955 161.56 -101.744 PRESSAVG: 3981000 13.5692 3.75593 22.8636 3.75581 -26.473 10.7324 22.8637 10.7325 20.2479 GPRESSAVG: 3981000 12.7626 2.74893 22.4725 5.21077 -27.0013 10.6756 21.652 12.3767 21.2898 TIMING: 3981000 CPU: 11973, 0.00300194/step Wall: 11973, 0.00300194/step, 0.849716 hours remaining, 212.671875 MB of memory in use. ENERGY: 3981000 727.6179 2085.8778 1939.7847 124.2322 -205842.3445 17361.8709 0.0000 0.0000 34121.0059 -149481.9550 297.9872 -183602.9609 -149386.6178 298.6477 -216.0783 -184.8601 558046.1035 2.4480 2.3504 PRESSURE: 3981200 93.5114 2.31595 -97.3592 2.31652 0.516988 -35.0231 -97.3591 -35.0235 -86.3808 GPRESSURE: 3981200 139.147 -59.2146 -94.7559 -12.0304 79.9462 -79.2036 -116.813 54.1741 -119.273 PRESSAVG: 3981200 6.59694 -46.2612 25.935 -46.2612 56.545 14.5787 25.9351 14.5787 -41.8787 GPRESSAVG: 3981200 7.81174 -44.2552 26.1232 -46.952 55.9183 15.9 26.6555 15.4361 -42.9888 TIMING: 3981200 CPU: 11973.6, 0.00298976/step Wall: 11973.6, 0.00298976/step, 0.846103 hours remaining, 212.671875 MB of memory in use. ENERGY: 3981200 789.9660 2130.2644 1940.7774 105.0966 -206905.7221 18156.0271 0.0000 0.0000 34183.6431 -149599.9474 298.5343 -183783.5905 -149496.9125 298.1554 2.5492 33.2732 557496.7744 7.0878 6.9138 PRESSURE: 3981400 106.951 -86.3464 -139.907 -86.3458 20.6056 0.361881 -139.907 0.36059 14.7653 GPRESSURE: 3981400 118.216 -91.1935 -146.503 -138.614 101.072 81.5282 -171.792 37.8337 13.4002 PRESSAVG: 3981400 -58.903 -59.7482 2.9696 -59.7482 -10.0351 0.639721 2.9697 0.639768 58.2523 GPRESSAVG: 3981400 -59.8988 -58.5376 3.25846 -60.9953 -9.35676 0.779169 3.50591 -2.03804 58.269 TIMING: 3981400 CPU: 11974.2, 0.00298635/step Wall: 11974.2, 0.00298635/step, 0.84497 hours remaining, 212.671875 MB of memory in use. ENERGY: 3981400 777.3969 2102.6867 1917.4423 101.1591 -206667.6261 17994.1519 0.0000 0.0000 34196.0638 -149578.7253 298.6427 -183774.7891 -149478.3418 297.9258 47.4407 77.5626 557779.5031 -3.5619 -3.6622 PRESSURE: 3981600 188.631 -32.5029 92.8578 -32.5009 3.19774 27.182 92.8583 27.1828 -187.879 GPRESSURE: 3981600 207.685 -42.0068 49.1471 36.818 54.2136 -18.5232 120.175 134.88 -154.522 PRESSAVG: 3981600 8.95403 -44.7431 8.33957 -44.7432 0.0761756 13.6022 8.33963 13.6023 25.0279 GPRESSAVG: 3981600 9.36416 -47.3134 8.40668 -43.1122 -1.24128 9.4502 5.52585 15.0574 25.6773 TIMING: 3981600 CPU: 11974.8, 0.00299196/step Wall: 11974.8, 0.00299196/step, 0.846391 hours remaining, 212.671875 MB of memory in use. ENERGY: 3981600 710.2108 2025.3272 1947.4798 116.8425 -206478.2943 17879.8841 0.0000 0.0000 34164.4107 -149634.1392 298.3663 -183798.5499 -149532.1310 297.1239 1.3166 35.7922 556989.1679 11.3527 11.2667 PRESSURE: 3981800 26.9024 20.6004 45.4502 20.601 -198.057 -74.0758 45.4495 -74.0756 -206.526 GPRESSURE: 3981800 -33.6671 72.155 121.125 32.0602 -109.763 -64.8908 -24.9687 -143.177 -137.58 PRESSAVG: 3981800 75.7605 -22.0271 7.22016 -22.027 0.303332 -45.61 7.22027 -45.6101 -40.2549 GPRESSAVG: 3981800 75.3038 -21.8632 6.6253 -22.265 1.1239 -42.7376 7.81874 -45.6653 -40.8064 TIMING: 3981800 CPU: 11975.4, 0.00297192/step Wall: 11975.4, 0.00297192/step, 0.840557 hours remaining, 212.671875 MB of memory in use. ENERGY: 3981800 713.1465 2073.7919 1916.1165 109.8816 -206417.0802 17709.1480 0.0000 0.0000 34214.4282 -149680.5676 298.8031 -183894.9958 -149579.2923 297.6290 -125.8935 -93.6700 558722.1388 11.9363 11.8738 PRESSURE: 3982000 -34.098 81.5567 4.1826 81.5572 49.0239 5.58842 4.18358 5.58847 -194.504 GPRESSURE: 3982000 -7.19517 -3.22988 24.9903 85.1553 86.2388 53.8673 -35.7238 -29.5922 -168.205 PRESSAVG: 3982000 46.1562 -9.64325 -9.90755 -9.64321 -0.977413 -13.9003 -9.90761 -13.9003 -17.9067 GPRESSAVG: 3982000 47.1658 -9.74968 -10.576 -9.04261 -2.16284 -11.6324 -9.89425 -14.7862 -17.3563 TIMING: 3982000 CPU: 11976, 0.00300225/step Wall: 11976, 0.00300225/step, 0.848968 hours remaining, 212.671875 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: 3982000 778.4419 2054.7921 1952.6773 112.5702 -206538.6738 17857.8921 0.0000 0.0000 34262.7940 -149519.5061 299.2255 -183782.3001 -149429.4922 298.9417 -59.8592 -29.7203 557177.6078 9.0907 9.2156 PRESSURE: 3982200 -89.3229 29.7117 125.789 29.7115 -342.575 77.0975 125.788 77.0964 218.901 GPRESSURE: 3982200 -62.2578 26.1933 23.0598 94.7549 -273.276 118.108 105.477 7.90033 218.155 PRESSAVG: 3982200 20.0946 20.9941 -1.85448 20.9942 -33.5414 -26.1182 -1.85444 -26.1182 57.7898 GPRESSAVG: 3982200 19.9307 20.5992 -3.10738 20.3131 -33.6244 -28.3442 -0.565802 -24.6473 57.8427 TIMING: 3982200 CPU: 11976.6, 0.00299901/step Wall: 11976.6, 0.00299901/step, 0.847886 hours remaining, 212.671875 MB of memory in use. ENERGY: 3982200 786.6340 2072.9272 1956.3508 114.8546 -206515.1565 17769.3725 0.0000 0.0000 34377.6414 -149437.3760 300.2285 -183815.0174 -149345.0964 298.9258 -70.9990 -39.1261 556113.3319 14.7810 14.7163 PRESSURE: 3982400 136.606 51.8612 14.8743 51.8623 74.7234 -103.869 14.8758 -103.87 84.6904 GPRESSURE: 3982400 159.105 98.6534 40.8803 17.8889 88.5939 -218.002 13.4792 -46.1223 127.751 PRESSAVG: 3982400 -4.38601 40.0195 -11.1886 40.0194 -63.8633 14.3348 -11.1887 14.3348 61.1895 GPRESSAVG: 3982400 -5.59571 38.2018 -10.2431 40.0524 -63.5362 15.2115 -12.037 11.6796 61.2901 TIMING: 3982400 CPU: 11977.2, 0.00299564/step Wall: 11977.2, 0.00299564/step, 0.846768 hours remaining, 212.671875 MB of memory in use. ENERGY: 3982400 748.3684 2057.7299 1931.5917 123.1122 -206323.8401 18004.0979 0.0000 0.0000 33967.0965 -149491.8434 296.6431 -183458.9399 -149392.1211 298.6049 98.6732 125.1500 557018.8073 -2.3533 -2.6139 PRESSURE: 3982600 1.14282 -83.0027 -53.3368 -83.0035 55.2689 -20.6806 -53.3372 -20.6813 -288.941 GPRESSURE: 3982600 107.466 -114.389 -12.281 -2.07293 -34.4068 27.5651 5.32605 -51.1893 -210.824 PRESSAVG: 3982600 32.4098 14.1989 -19.4754 14.1989 -39.7863 -24.3983 -19.4755 -24.3982 20.3203 GPRESSAVG: 3982600 32.6226 16.044 -19.5372 14.0402 -39.88 -24.0824 -17.8862 -24.7174 19.6462 TIMING: 3982600 CPU: 11977.8, 0.00298093/step Wall: 11977.8, 0.00298093/step, 0.842444 hours remaining, 212.671875 MB of memory in use. ENERGY: 3982600 744.2613 2111.8898 1945.1310 117.3458 -206525.7022 17687.1798 0.0000 0.0000 34298.4780 -149621.4165 299.5371 -183919.8945 -149523.1168 298.4239 -77.5099 -45.9217 556765.9111 4.3146 4.1296 PRESSURE: 3982800 -20.0658 -21.5354 55.6043 -21.5358 -137.187 72.1014 55.6041 72.1027 -88.8759 GPRESSURE: 3982800 -67.5154 -137.861 4.04275 24.7645 -49.6822 81.1186 75.9401 42.08 -15.2501 PRESSAVG: 3982800 10.3003 -89.2516 22.1194 -89.2516 27.1419 65.4017 22.1195 65.4016 -72.0826 GPRESSAVG: 3982800 10.2566 -90.9909 21.8276 -88.6024 26.6603 63.4951 21.0376 66.8564 -71.6716 TIMING: 3982800 CPU: 11978.4, 0.00297015/step Wall: 11978.4, 0.00297015/step, 0.839233 hours remaining, 212.671875 MB of memory in use. ENERGY: 3982800 756.7948 2044.9915 1916.1494 113.5701 -206306.4140 17737.3088 0.0000 0.0000 34091.3477 -149646.2517 297.7282 -183737.5993 -149547.4464 297.8232 -82.0430 -44.1492 557038.0235 -11.5468 -11.5849 PRESSURE: 3983000 -64.8979 104.051 125.085 104.051 2.70391 4.0967 125.086 4.09623 319.403 GPRESSURE: 3983000 30.0954 74.3524 69.0451 28.9948 15.8279 -10.206 204.002 -47.3497 313.628 PRESSAVG: 3983000 19.1167 -46.912 -3.32918 -46.912 -31.2427 -3.61829 -3.32913 -3.61823 48.4167 GPRESSAVG: 3983000 20.2014 -45.9349 -0.723903 -44.9287 -32.6451 -2.35602 -4.34059 -3.79349 49.2942 TIMING: 3983000 CPU: 11979, 0.00297822/step Wall: 11979, 0.00297822/step, 0.841349 hours remaining, 212.671875 MB of memory in use. ENERGY: 3983000 730.2300 2108.4448 1950.5973 119.1726 -206550.4718 17858.9542 0.0000 0.0000 34338.3783 -149444.6946 299.8856 -183783.0729 -149349.8171 298.1954 85.7362 119.8504 556717.2800 12.0969 12.2835 PRESSURE: 3983200 66.0823 85.7194 59.6949 85.7192 -171.438 267.591 59.6947 267.588 328.142 GPRESSURE: 3983200 81.7947 136.498 47.718 70.7171 -86.7909 248.372 62.9697 200.766 318.474 PRESSAVG: 3983200 -61.0859 -4.5857 -28.3053 -4.58568 -2.65021 -2.2051 -28.3053 -2.20509 3.7186 GPRESSAVG: 3983200 -60.7597 -1.55068 -26.1222 -7.74821 -1.11938 -2.39613 -28.8935 -2.36573 2.06343 TIMING: 3983200 CPU: 11979.6, 0.0029839/step Wall: 11979.6, 0.0029839/step, 0.842786 hours remaining, 212.671875 MB of memory in use. ENERGY: 3983200 756.0213 2121.4902 1926.0892 130.7732 -206417.2593 17972.4203 0.0000 0.0000 34140.1143 -149370.3507 298.1541 -183510.4650 -149280.4008 298.3362 74.2623 104.4925 558008.1103 -20.0058 -19.9386 PRESSURE: 3983400 -94.9078 -78.1942 -77.2944 -78.195 343.848 -17.0581 -77.295 -17.0579 -78.2722 GPRESSURE: 3983400 -21.0468 -49.5874 -88.2459 -22.8459 299.752 68.2474 -52.0465 -72.5145 -3.4744 PRESSAVG: 3983400 -4.02818 3.41648 -2.67252 3.41653 -23.1971 -0.396203 -2.67256 -0.396112 56.7605 GPRESSAVG: 3983400 -4.80659 0.0380896 -5.19302 4.46947 -24.1985 0.876139 -2.88573 -1.64341 58.5942 TIMING: 3983400 CPU: 11980.2, 0.00299934/step Wall: 11980.2, 0.00299934/step, 0.846981 hours remaining, 212.671875 MB of memory in use. ENERGY: 3983400 768.6981 2146.2380 1935.4571 112.5862 -206427.2416 18010.4952 0.0000 0.0000 34088.6748 -149365.0923 297.7049 -183453.7670 -149273.8458 298.1416 56.8892 91.7437 557119.6062 9.8451 9.8631 PRESSURE: 3983600 -301.555 155.516 -84.1885 155.516 -53.767 41.7221 -84.189 41.723 285.316 GPRESSURE: 3983600 -267.188 140.056 -108.651 215.702 2.3147 21.6781 -44.3272 155.626 292.323 PRESSAVG: 3983600 -69.0965 22.7749 -58.4445 22.775 0.391531 32.3967 -58.4445 32.3968 81.5891 GPRESSAVG: 3983600 -68.654 22.4303 -56.4939 21.9914 1.40356 30.5078 -58.2115 34.2678 80.6533 TIMING: 3983600 CPU: 11980.8, 0.0030089/step Wall: 11980.8, 0.0030089/step, 0.849514 hours remaining, 212.671875 MB of memory in use. ENERGY: 3983600 743.5274 2163.8358 1930.6691 107.9789 -205875.4620 17588.5230 0.0000 0.0000 34109.3184 -149231.6094 297.8852 -183340.9278 -149139.4429 299.4809 -23.3356 9.1501 556945.1439 4.2947 4.4676 PRESSURE: 3983800 -27.8836 62.4067 -115.429 62.4068 -10.8392 90.9185 -115.429 90.9183 -122.542 GPRESSURE: 3983800 0.143501 105.672 -0.376952 -7.42732 -7.9668 119.489 -236.346 120.795 -58.8773 PRESSAVG: 3983800 27.447 81.6876 -68.1663 81.6877 -80.3137 10.477 -68.1663 10.477 16.0031 GPRESSAVG: 3983800 27.3947 81.876 -70.0506 82.2352 -79.7854 14.3392 -67.0828 9.74306 15.1397 TIMING: 3983800 CPU: 11981.4, 0.00300086/step Wall: 11981.4, 0.00300086/step, 0.847077 hours remaining, 212.671875 MB of memory in use. ENERGY: 3983800 799.4197 2141.4372 1923.7729 119.0103 -206090.3581 17721.5714 0.0000 0.0000 34038.7644 -149346.3823 297.2690 -183385.1467 -149254.0446 298.5437 -53.7549 -22.2335 557085.4577 -12.2879 -12.4170 PRESSURE: 3984000 -137.046 154.164 -127.818 154.165 -93.2884 75.1234 -127.817 75.1229 95.5511 GPRESSURE: 3984000 -118.034 138.324 -124.075 74.5689 -70.0736 138.644 -136.299 -40.38 147.668 PRESSAVG: 3984000 -0.404797 38.6023 18.8689 38.6022 -52.4637 28.3686 18.8689 28.3687 61.2706 GPRESSAVG: 3984000 -0.857346 40.2906 17.5878 37.6082 -53.7387 25.5525 17.8631 29.797 63.4156 TIMING: 3984000 CPU: 11982, 0.0029713/step Wall: 11982, 0.0029713/step, 0.838568 hours remaining, 212.671875 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: 3984000 749.1195 2104.8425 1930.0374 119.5222 -205939.4654 17538.8845 0.0000 0.0000 34113.7543 -149383.3050 297.9239 -183497.0593 -149282.6815 298.2044 -44.9276 -13.4800 556143.1788 2.8007 2.9399 PRESSURE: 3984200 105.582 27.3216 -80.7022 27.3193 -127.975 -153.476 -80.7014 -153.477 57.6868 GPRESSURE: 3984200 167.884 12.0919 -150.646 88.5227 -87.1361 -173.15 -96.9175 -74.1155 67.7379 PRESSAVG: 3984200 3.60258 15.5245 2.43043 15.5246 -37.3664 10.5039 2.43033 10.5038 26.2318 GPRESSAVG: 3984200 3.36903 11.9054 1.0348 16.585 -36.9978 9.74643 4.2723 10.9408 25.0167 TIMING: 3984200 CPU: 11982.6, 0.00297246/step Wall: 11982.6, 0.00297246/step, 0.838728 hours remaining, 212.671875 MB of memory in use. ENERGY: 3984200 730.7200 2135.1191 1949.6159 102.1281 -206428.9703 17729.1366 0.0000 0.0000 34277.1462 -149505.1044 299.3508 -183782.2506 -149412.7703 298.7671 11.7648 49.4953 556715.6292 -2.5107 -2.8707 LDB: ============= START OF LOAD BALANCING ============== 11986.1 LDB: ============== END OF LOAD BALANCING =============== 11986.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11986.1 LDB: ============= START OF LOAD BALANCING ============== 11986.4 LDB: Largest compute 4773 load 0.026122 is 22.1% of average load 0.118224 LDB: Average compute 0.001731 is 1.5% of average load 0.118224 LDB: TIME 11986.4 LOAD: AVG 0.118224 MAX 0.206546 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.75 MB LDB: TIME 11986.4 LOAD: AVG 0.118224 MAX 0.206546 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.75 MB LDB: TIME 11986.4 LOAD: AVG 0.118224 MAX 0.206546 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.75 MB LDB: ============== END OF LOAD BALANCING =============== 11986.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11986.4 PRESSURE: 3984400 51.2263 21.0141 98.2695 21.0131 83.6414 106.792 98.2693 106.791 141.532 GPRESSURE: 3984400 42.1762 -38.1951 155.04 1.55063 130.865 76.1214 39.1451 70.5967 193.083 PRESSAVG: 3984400 -2.24766 -4.23054 42.0484 -4.23041 -8.80153 -17.6371 42.0484 -17.6371 10.3424 GPRESSAVG: 3984400 -2.01392 -1.21913 48.0439 -1.64333 -8.64313 -16.7206 38.7169 -18.9841 10.2405 TIMING: 3984400 CPU: 11983.2, 0.00302596/step Wall: 11983.2, 0.00302596/step, 0.853658 hours remaining, 208.738281 MB of memory in use. ENERGY: 3984400 687.7900 2096.1051 1948.4159 101.9987 -206716.6488 18053.8877 0.0000 0.0000 34383.3781 -149445.0734 300.2786 -183828.4514 -149350.1103 298.9152 92.1332 122.0413 558240.1926 -0.2356 -0.1389 PRESSURE: 3984600 -16.4694 135.275 52.8251 135.275 -46.9351 59.5884 52.8251 59.589 103.033 GPRESSURE: 3984600 60.4595 73.7246 85.3398 155.612 -60.2945 -9.35115 84.9756 69.4072 129.34 PRESSAVG: 3984600 19.5078 28.6745 43.1708 28.6746 6.97245 -16.6024 43.1708 -16.6023 14.6582 GPRESSAVG: 3984600 20.4533 27.4697 39.8334 27.6105 5.76477 -16.2321 45.7984 -17.2875 14.9565 TIMING: 3984600 CPU: 11983.8, 0.00296722/step Wall: 11983.8, 0.00296722/step, 0.836921 hours remaining, 208.941406 MB of memory in use. ENERGY: 3984600 736.1752 2150.3101 1942.2433 110.2805 -206693.9952 18025.8114 0.0000 0.0000 34278.3945 -149450.7801 299.3617 -183729.1746 -149348.2519 299.5907 13.2094 43.1685 557880.1957 13.7128 13.7248 PRESSURE: 3984800 -145.742 12.4091 22.8342 12.4098 101.099 27.5565 22.8332 27.5585 4.64119 GPRESSURE: 3984800 -122.493 -28.3701 6.36548 17.129 122.67 48.628 10.5207 -29.7286 56.2309 PRESSAVG: 3984800 29.4856 29.8753 78.63 29.8754 -22.4244 19.9872 78.63 19.9873 11.3311 GPRESSAVG: 3984800 28.8648 31.7504 77.8478 27.7257 -21.1065 19.5693 79.8228 19.457 11.0729 TIMING: 3984800 CPU: 11984.4, 0.00296746/step Wall: 11984.4, 0.00296746/step, 0.836823 hours remaining, 208.941406 MB of memory in use. ENERGY: 3984800 755.3071 2171.0878 1911.1307 106.1542 -206663.6647 17923.7967 0.0000 0.0000 34332.4439 -149463.7443 299.8338 -183796.1882 -149360.7731 299.0997 -13.3338 18.8028 558333.8835 6.1308 6.2771 PRESSURE: 3985000 -56.3958 143.958 -69.4831 143.959 49.0631 -71.3309 -69.4844 -71.3285 135.898 GPRESSURE: 3985000 -114.886 101.581 -120.16 124.915 132.756 26.4055 -24.8725 -85.1302 203.831 PRESSAVG: 3985000 -30.8741 32.0254 14.1702 32.0254 -76.2684 -43.2429 14.1703 -43.2428 98.7913 GPRESSAVG: 3985000 -30.3326 31.8929 14.9239 33.8548 -76.4643 -42.866 12.1915 -41.2994 98.7695 TIMING: 3985000 CPU: 11985, 0.00297175/step Wall: 11985, 0.00297175/step, 0.837869 hours remaining, 208.941406 MB of memory in use. ENERGY: 3985000 783.9002 2086.0608 1972.7139 124.8300 -206345.3290 17945.1600 0.0000 0.0000 34068.3532 -149364.3110 297.5274 -183432.6642 -149272.5459 298.5874 42.8551 73.9001 558153.0910 -2.7838 -2.6758 PRESSURE: 3985200 337.108 175.717 -75.1847 175.717 151.618 42.7468 -75.1857 42.7463 128.463 GPRESSURE: 3985200 345.558 110.372 -91.1524 154.471 221.356 72.2357 -111.827 49.252 147.356 PRESSAVG: 3985200 10.1135 12.2993 7.43118 12.2992 28.1021 23.0692 7.43108 23.0693 -10.4258 GPRESSAVG: 3985200 9.68434 10.8291 7.90774 11.871 28.4222 22.7235 7.56484 21.5967 -10.2548 TIMING: 3985200 CPU: 11985.6, 0.0029626/step Wall: 11985.6, 0.0029626/step, 0.835125 hours remaining, 208.941406 MB of memory in use. ENERGY: 3985200 755.9195 2136.3818 1934.5535 108.9925 -206611.9824 18166.8280 0.0000 0.0000 34314.8168 -149194.4903 299.6798 -183509.3071 -149097.8592 299.4454 205.7297 238.0899 555857.0325 9.2633 9.2839 PRESSURE: 3985400 -81.2668 -185.127 -129.848 -185.126 -109.404 38.0446 -129.847 38.0452 -128.367 GPRESSURE: 3985400 -43.3818 -155.988 -141.144 -108.03 -92.1619 135.09 -146.673 22.7262 -101.207 PRESSAVG: 3985400 20.9279 8.72468 -27.9451 8.72466 59.5599 10.4547 -27.9451 10.4546 -47.8381 GPRESSAVG: 3985400 20.2667 10.552 -28.4316 7.91743 60.2218 10.3622 -27.6785 13.6176 -48.2953 TIMING: 3985400 CPU: 11986.2, 0.00296433/step Wall: 11986.2, 0.00296433/step, 0.835446 hours remaining, 208.941406 MB of memory in use. ENERGY: 3985400 740.7545 2153.3466 1947.0244 113.7588 -205797.5102 17523.7827 0.0000 0.0000 34096.8471 -149221.9962 297.7762 -183318.8432 -149121.7128 300.2102 -106.3461 -78.9170 558401.9253 10.8832 10.7311 PRESSURE: 3985600 94.9084 0.455836 -129.876 0.454805 125.945 -28.9294 -129.877 -28.9289 223.99 GPRESSURE: 3985600 108.547 -51.5119 -184.134 -49.9028 169.651 -22.4893 -95.8217 -44.3284 260.275 PRESSAVG: 3985600 -63.8942 12.2921 36.4599 12.2922 79.3592 8.20558 36.46 8.20545 -30.3187 GPRESSAVG: 3985600 -63.7009 13.0231 36.7338 12.3697 78.4467 6.52421 34.8743 7.71796 -29.7593 TIMING: 3985600 CPU: 11986.8, 0.00295893/step Wall: 11986.8, 0.00295893/step, 0.833761 hours remaining, 208.941406 MB of memory in use. ENERGY: 3985600 757.8396 2122.7430 1941.0215 119.6638 -206593.3149 18184.6978 0.0000 0.0000 34157.2286 -149310.1207 298.3036 -183467.3492 -149215.6435 299.0530 148.2808 179.4909 557620.5926 -4.9512 -5.0045 PRESSURE: 3985800 19.4112 -63.8567 -40.4421 -63.8572 39.5073 92.6364 -40.4429 92.6354 207.143 GPRESSURE: 3985800 43.4299 -127.3 -79.1543 -43.1582 103.573 139.036 -40.0465 27.5583 230.793 PRESSAVG: 3985800 -9.83072 -62.2835 -20.1115 -62.2835 73.0406 24.7624 -20.1114 24.7623 -2.31546 GPRESSAVG: 3985800 -10.4036 -64.039 -20.9266 -60.9065 74.4351 26.3383 -19.012 21.3459 -2.94707 TIMING: 3985800 CPU: 11987.4, 0.00296126/step Wall: 11987.4, 0.00296126/step, 0.834253 hours remaining, 208.941406 MB of memory in use. ENERGY: 3985800 763.0046 2056.1835 1955.6923 116.8175 -206198.9023 17917.2685 0.0000 0.0000 34125.2025 -149264.7335 298.0239 -183389.9359 -149171.8545 299.3692 88.6871 125.9319 557775.6996 20.2981 20.3615 PRESSURE: 3986000 -278.728 82.6508 60.6796 82.6508 33.1129 34.5439 60.6804 34.5441 136.532 GPRESSURE: 3986000 -232.309 113.444 13.2372 21.3388 60.1623 26.3337 126.675 83.1633 149.63 PRESSAVG: 3986000 -59.1541 -34.4646 45.2315 -34.4646 55.0142 3.63273 45.2315 3.63279 -11.2842 GPRESSAVG: 3986000 -58.4838 -32.8121 44.8907 -34.675 53.4781 3.67282 45.3835 4.69567 -11.1079 TIMING: 3986000 CPU: 11988, 0.00295287/step Wall: 11988, 0.00295287/step, 0.831724 hours remaining, 208.941406 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: 3986000 743.3642 2108.8209 1931.7813 111.1883 -206344.4841 17823.2553 0.0000 0.0000 34306.5308 -149319.5433 299.6075 -183626.0741 -149223.3422 298.7187 -36.3610 -7.5056 558657.0992 -5.1414 -5.3712 PRESSURE: 3986200 -81.2732 82.7676 -103.145 82.7677 -61.6182 6.55665 -103.145 6.55752 -132.523 GPRESSURE: 3986200 -76.9556 137.037 -80.4395 59.6666 3.34521 79.6366 -121.639 0.265228 -99.6173 PRESSAVG: 3986200 -35.3645 -28.4169 -21.8788 -28.417 41.3924 39.6104 -21.8789 39.6105 -22.8807 GPRESSAVG: 3986200 -35.6194 -29.2236 -21.8256 -30.7047 42.5785 41.0942 -21.0091 39.5039 -22.9829 TIMING: 3986200 CPU: 11988.5, 0.0029364/step Wall: 11988.5, 0.0029364/step, 0.826924 hours remaining, 208.941406 MB of memory in use. ENERGY: 3986200 738.1712 2104.2246 1962.8304 119.6213 -206094.7589 17677.2450 0.0000 0.0000 34199.9893 -149292.6771 298.6770 -183492.6664 -149193.2763 298.4803 -91.8048 -57.7425 558367.3313 -5.6176 -5.3413 PRESSURE: 3986400 -186.425 20.6856 -128.841 20.6859 -211.44 -35.2533 -128.841 -35.2539 -18.1304 GPRESSURE: 3986400 -85.3724 81.4413 -72.0449 15.8388 -183.588 -25.6126 -81.0084 -5.25139 -33.4604 PRESSAVG: 3986400 2.30103 16.8748 -11.9916 16.8748 23.8037 23.0416 -11.9917 23.0414 0.648523 GPRESSAVG: 3986400 2.20184 14.9521 -11.3115 19.363 24.0932 24.1717 -12.7676 22.5415 1.14457 TIMING: 3986400 CPU: 11989.1, 0.00298234/step Wall: 11989.1, 0.00298234/step, 0.839694 hours remaining, 208.941406 MB of memory in use. ENERGY: 3986400 747.5798 2084.4883 1962.5040 102.4321 -206239.2226 17777.7738 0.0000 0.0000 34220.9979 -149343.4467 298.8605 -183564.4446 -149244.1524 298.2837 -138.6652 -100.8069 557997.3553 8.9178 9.1465 PRESSURE: 3986600 -301.817 67.754 36.5858 67.7554 -71.6415 -33.1342 36.5879 -33.135 -151.027 GPRESSURE: 3986600 -280.591 106.628 79.4447 41.9473 -35.9408 -0.158453 -54.1453 -4.05525 -97.8719 PRESSAVG: 3986600 -21.6426 -41.4807 -79.8569 -41.4807 30.6025 43.7233 -79.8569 43.7235 -35.1338 GPRESSAVG: 3986600 -20.5935 -40.2936 -79.1417 -43.0035 29.6042 42.2509 -78.8164 43.3118 -35.451 TIMING: 3986600 CPU: 11989.7, 0.00301613/step Wall: 11989.7, 0.00301613/step, 0.84904 hours remaining, 208.941406 MB of memory in use. ENERGY: 3986600 750.1195 2165.0539 1914.3715 120.1811 -206079.2809 17603.3567 0.0000 0.0000 34074.6795 -149451.5187 297.5827 -183526.1982 -149356.0608 298.6499 -174.8284 -138.1346 557879.0756 -8.7246 -8.8135 PRESSURE: 3986800 177.578 -81.3573 -50.1487 -81.3581 -2.6957 -64.7022 -50.1488 -64.7034 223.766 GPRESSURE: 3986800 249.188 -117.755 -69.5193 -20.9613 1.51917 -64.7357 -66.611 4.50367 248.711 PRESSAVG: 3986800 16.5219 -36.6619 -45.3262 -36.6619 -50.9598 -13.5175 -45.3263 -13.5175 32.3781 GPRESSAVG: 3986800 15.7591 -35.8388 -45.1977 -36.5242 -50.5453 -14.3557 -46.5712 -11.3898 32.4859 TIMING: 3986800 CPU: 11990.3, 0.00298422/step Wall: 11990.3, 0.00298422/step, 0.839892 hours remaining, 208.941406 MB of memory in use. ENERGY: 3986800 743.8911 2095.3614 1953.3567 113.1889 -206527.4626 18175.0586 0.0000 0.0000 34197.7073 -149248.8985 298.6571 -183446.6058 -149157.2634 298.2025 132.8829 166.4729 556979.9166 -0.6866 -0.7667 PRESSURE: 3987000 42.1754 34.5655 18.6201 34.5658 22.5018 113.918 18.6211 113.916 95.7008 GPRESSURE: 3987000 74.6614 26.135 75.0527 102.89 67.5115 34.2979 10.0865 85.6281 102.914 PRESSAVG: 3987000 12.287 -11.5895 -4.2564 -11.5894 -21.2457 10.181 -4.25642 10.1809 19.1272 GPRESSAVG: 3987000 14.1697 -13.1784 -6.92371 -10.4222 -21.1799 10.0142 -3.07174 10.9655 17.078 TIMING: 3987000 CPU: 11990.9, 0.00297794/step Wall: 11990.9, 0.00297794/step, 0.83796 hours remaining, 208.941406 MB of memory in use. ENERGY: 3987000 741.8998 2127.9392 1967.0668 109.3851 -206256.5975 17804.4702 0.0000 0.0000 34225.3515 -149280.4849 298.8985 -183505.8364 -149183.5503 299.5449 53.4593 81.6957 555815.0498 3.3895 3.3559 PRESSURE: 3987200 56.8266 75.6605 212.278 75.6608 94.8916 -100.849 212.278 -100.848 -50.4199 GPRESSURE: 3987200 138.046 114.504 211.061 71.3364 167.982 -154.712 218.55 -60.0187 -85.4504 PRESSAVG: 3987200 45.8786 -0.402041 24.9409 -0.402083 7.22268 36.4489 24.9409 36.4489 -55.2863 GPRESSAVG: 3987200 43.9253 0.73892 25.8512 -0.560761 8.3917 36.7538 24.6699 34.8296 -54.0711 TIMING: 3987200 CPU: 11991.5, 0.00297237/step Wall: 11991.5, 0.00297237/step, 0.836227 hours remaining, 209.066406 MB of memory in use. ENERGY: 3987200 768.9702 2127.3197 1964.4288 114.4915 -206571.0221 18004.7276 0.0000 0.0000 34526.9759 -149064.1084 301.5327 -183591.0843 -148971.9802 299.7595 33.7661 73.5257 555989.1203 -0.7283 -0.5847 PRESSURE: 3987400 -292.69 -65.4383 -31.1151 -65.4373 -139.975 203.424 -31.1151 203.423 -184.824 GPRESSURE: 3987400 -263.548 -77.0612 -64.6255 -41.004 -132.014 264.326 -27.6164 224.966 -119.602 PRESSAVG: 3987400 -2.21399 -9.47847 8.27598 -9.47842 24.2272 -43.3444 8.276 -43.3444 21.4056 GPRESSAVG: 3987400 -2.17817 -7.60781 7.56264 -10.8248 23.1139 -43.8193 9.44518 -42.4829 22.0389 TIMING: 3987400 CPU: 11992.1, 0.00297377/step Wall: 11992.1, 0.00297377/step, 0.836455 hours remaining, 209.066406 MB of memory in use. ENERGY: 3987400 746.0975 2097.9878 1955.9119 113.1271 -205782.2421 17442.6365 0.0000 0.0000 34343.5569 -149082.9243 299.9308 -183426.4812 -148979.6554 300.0201 -205.8296 -171.7213 557316.0849 14.4729 14.3249 PRESSURE: 3987600 1.64177 -68.1269 -192.976 -68.1271 -100.56 -44.8021 -192.976 -44.8032 -51.3167 GPRESSURE: 3987600 56.4205 -77.9252 -123.095 -68.5573 -70.1323 25.2764 -166.288 -92.9255 -47.9653 PRESSAVG: 3987600 19.2832 18.1971 -10.1156 18.1972 41.4911 2.08443 -10.1155 2.08437 -45.7221 GPRESSAVG: 3987600 20.1464 15.8325 -8.11494 19.4709 41.3861 3.68513 -11.6311 0.356843 -46.0493 TIMING: 3987600 CPU: 11992.7, 0.00298376/step Wall: 11992.7, 0.00298376/step, 0.839099 hours remaining, 209.066406 MB of memory in use. ENERGY: 3987600 744.6799 2056.5848 1961.8439 115.5421 -205964.2748 17663.1009 0.0000 0.0000 34363.0389 -149059.4844 300.1010 -183422.5233 -148965.8650 300.0228 -50.0784 -20.5590 557999.5530 5.0174 5.1611 PRESSURE: 3987800 -86.3794 -7.64539 -60.6637 -7.64594 61.9186 -72.2081 -60.6637 -72.2081 64.5077 GPRESSURE: 3987800 -39.3552 -42.1179 -79.3966 -62.6655 133.3 -40.3657 -36.4163 -109.325 38.9964 PRESSAVG: 3987800 47.111 -78.6498 -47.693 -78.6497 -22.793 17.6457 -47.6931 17.6458 -32.0435 GPRESSAVG: 3987800 46.722 -77.0079 -50.2036 -79.5248 -23.0546 16.9094 -46.3794 20.4761 -31.284 TIMING: 3987800 CPU: 11993.3, 0.00299625/step Wall: 11993.3, 0.00299625/step, 0.842447 hours remaining, 209.066406 MB of memory in use. ENERGY: 3987800 745.7659 2125.9517 1966.9587 113.8922 -206381.6129 18009.3861 0.0000 0.0000 34205.7181 -149213.9402 298.7270 -183419.6583 -149123.3305 298.9868 13.3490 44.3137 556539.1244 -2.5752 -2.5389 PRESSURE: 3988000 -111.298 -42.0877 163.037 -42.0876 -4.08579 -7.09101 163.037 -7.0902 -129.513 GPRESSURE: 3988000 -67.1021 -40.385 170.682 -69.132 17.3612 0.825183 93.4736 -29.6146 -91.4694 PRESSAVG: 3988000 -10.6262 12.6568 -7.75789 12.6567 1.66279 56.3626 -7.75781 56.3626 19.0777 GPRESSAVG: 3988000 -9.96348 11.5275 -4.28803 12.3685 2.32653 55.6909 -8.8849 55.1323 18.3056 TIMING: 3988000 CPU: 11993.9, 0.00299819/step Wall: 11993.9, 0.00299819/step, 0.842825 hours remaining, 209.066406 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: 3988000 761.6594 2121.0378 1933.7652 100.5206 -206306.7359 17798.4008 0.0000 0.0000 34332.2850 -149259.0671 299.8324 -183591.3520 -149170.5581 299.1160 -81.6325 -47.0701 556772.6214 3.3714 3.5562 PRESSURE: 3988200 327.733 -125.858 -7.11535 -125.858 76.6857 -178.246 -7.11456 -178.247 -162.603 GPRESSURE: 3988200 309.28 -142.632 -89.2613 -133.829 84.9982 -139.456 4.33035 -136.307 -55.8559 PRESSAVG: 3988200 60.5637 -41.2264 44.7213 -41.2263 -27.0896 15.145 44.7214 15.145 -51.1443 GPRESSAVG: 3988200 59.3452 -41.0349 43.4095 -40.0745 -26.2379 16.4485 43.7466 12.5516 -50.7475 TIMING: 3988200 CPU: 11994.5, 0.0029988/step Wall: 11994.5, 0.0029988/step, 0.842831 hours remaining, 209.066406 MB of memory in use. ENERGY: 3988200 756.7656 2092.9589 1942.4702 119.1065 -206531.8604 18003.1410 0.0000 0.0000 34151.0079 -149466.4102 298.2492 -183617.4181 -149367.7240 298.8303 80.6052 112.8073 555780.4992 -5.8901 -5.8801 LDB: ============= START OF LOAD BALANCING ============== 11998 LDB: ============== END OF LOAD BALANCING =============== 11998 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11998 LDB: ============= START OF LOAD BALANCING ============== 11998.3 LDB: Largest compute 4773 load 0.028801 is 24.4% of average load 0.118207 LDB: Average compute 0.001731 is 1.5% of average load 0.118207 LDB: TIME 11998.3 LOAD: AVG 0.118207 MAX 0.209504 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.48 MB LDB: TIME 11998.3 LOAD: AVG 0.118207 MAX 0.209504 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.684 MB LDB: TIME 11998.3 LOAD: AVG 0.118207 MAX 0.209504 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.684 MB LDB: ============== END OF LOAD BALANCING =============== 11998.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11998.3 PRESSURE: 3988400 179.278 11.1307 -28.8795 11.1308 -10.7253 46.2576 -28.8796 46.2587 -373.561 GPRESSURE: 3988400 206.542 -18.8167 -12.7509 -26.1133 12.3586 39.0813 -26.4356 33.4048 -322.571 PRESSAVG: 3988400 -1.48208 -52.8077 -0.603491 -52.8078 -10.6271 -45.9793 -0.603446 -45.9793 -19.3255 GPRESSAVG: 3988400 -0.106938 -53.1324 -0.159209 -53.3245 -12.1924 -44.7466 1.2871 -45.8132 -19.3765 TIMING: 3988400 CPU: 11995.1, 0.0030487/step Wall: 11995.1, 0.0030487/step, 0.856684 hours remaining, 209.257812 MB of memory in use. ENERGY: 3988400 742.8681 2140.6805 1934.9673 116.7111 -206163.0312 17738.1811 0.0000 0.0000 34329.5076 -149160.1153 299.8081 -183489.6230 -149063.7741 298.4232 -68.3360 -34.5565 557279.1849 -10.4782 -10.5586 PRESSURE: 3988600 134.693 -49.1457 9.35491 -49.1465 -77.6699 146.996 9.35575 146.995 -81.3195 GPRESSURE: 3988600 166.067 -77.8168 -1.15011 12.7025 -23.9713 163.497 65.4712 127.764 -71.8471 PRESSAVG: 3988600 75.1201 70.011 16.2795 70.011 -35.683 -6.77787 16.2794 -6.77783 -39.8225 GPRESSAVG: 3988600 73.7767 69.4411 16.1671 71.2322 -36.2469 -4.88424 17.135 -7.42591 -38.2151 TIMING: 3988600 CPU: 11995.7, 0.00297013/step Wall: 11995.7, 0.00297013/step, 0.834441 hours remaining, 209.460938 MB of memory in use. ENERGY: 3988600 736.0162 2007.0713 1963.8401 116.9825 -206470.9979 17816.9344 0.0000 0.0000 34558.7661 -149271.3873 301.8103 -183830.1534 -149178.4022 299.1030 -8.0987 23.4164 555816.7364 -0.1285 -0.2284 PRESSURE: 3988800 -103.132 -69.3185 -100.12 -69.319 -194.055 -64.4817 -100.12 -64.4833 161.258 GPRESSURE: 3988800 -106.776 -154.75 -68.933 10.5914 -140.016 5.67056 -96.8527 -212.337 197.608 PRESSAVG: 3988800 33.0124 -6.58569 -20.3901 -6.58563 -32.9749 -52.6438 -20.3902 -52.6439 36.113 GPRESSAVG: 3988800 33.2848 -6.27022 -17.4775 -8.07334 -32.0187 -56.2377 -23.3561 -53.6465 34.4334 TIMING: 3988800 CPU: 11996.3, 0.00297009/step Wall: 11996.3, 0.00297009/step, 0.834264 hours remaining, 209.460938 MB of memory in use. ENERGY: 3988800 725.9601 2088.5277 1944.6794 119.5228 -206050.9174 17853.9037 0.0000 0.0000 33984.5954 -149333.7284 296.7959 -183318.3238 -149239.0001 299.6127 -45.3096 -16.3945 556842.9912 12.0502 11.8998 PRESSURE: 3989000 206.052 19.5881 -51.6993 19.5872 -138.863 102.617 -51.6997 102.614 181.014 GPRESSURE: 3989000 210.652 -51.6033 -103.46 -2.00029 -60.017 111.577 -111.059 64.6778 201.793 PRESSAVG: 3989000 10.6842 13.1118 -30.8274 13.1119 -65.1911 -35.7846 -30.8274 -35.7846 90.0052 GPRESSAVG: 3989000 9.75391 14.2964 -34.8188 11.6328 -64.5131 -35.7198 -30.2089 -32.5197 89.9964 TIMING: 3989000 CPU: 11996.9, 0.002982/step Wall: 11996.9, 0.002982/step, 0.837445 hours remaining, 209.460938 MB of memory in use. ENERGY: 3989000 780.0639 2127.7900 1945.0308 108.0639 -206333.5907 17878.1071 0.0000 0.0000 34153.2915 -149341.2436 298.2692 -183494.5351 -149249.5921 299.0006 82.7343 117.4761 554704.5057 11.8328 11.7458 PRESSURE: 3989200 -13.4735 118.962 101.295 118.961 -67.2186 -37.5617 101.296 -37.5619 -156.935 GPRESSURE: 3989200 60.1031 80.6617 34.0187 115.767 -49.0242 82.6844 183.733 -111.28 -143.617 PRESSAVG: 3989200 21.6088 33.0614 8.72868 33.0615 -40.62 -23.343 8.72857 -23.3432 34.015 GPRESSAVG: 3989200 21.3038 31.7265 7.85829 34.2319 -40.3786 -22.9431 11.2529 -24.9159 34.0152 TIMING: 3989200 CPU: 11997.5, 0.00296156/step Wall: 11997.5, 0.00296156/step, 0.831541 hours remaining, 209.460938 MB of memory in use. ENERGY: 3989200 734.2221 2006.2947 1917.3616 123.6502 -206549.3741 17778.2992 0.0000 0.0000 34400.4082 -149589.1381 300.4273 -183989.5463 -149486.4153 298.5656 -79.2092 -44.1793 555924.3910 5.0013 4.9801 PRESSURE: 3989400 150.259 -98.911 -62.3854 -98.9116 25.6683 34.4799 -62.3858 34.4785 142.651 GPRESSURE: 3989400 137.837 -38.7485 -59.0607 -50.4131 145.552 22.4683 -35.4126 -0.757344 136.844 PRESSAVG: 3989400 9.30701 10.1915 -11.7978 10.1914 20.8634 -1.15644 -11.7978 -1.15658 -36.1864 GPRESSAVG: 3989400 10.2332 11.0112 -10.7135 10.3793 19.8415 -2.25769 -14.5355 -0.0849908 -36.2725 TIMING: 3989400 CPU: 11998.1, 0.00299677/step Wall: 11998.1, 0.00299677/step, 0.841259 hours remaining, 209.460938 MB of memory in use. ENERGY: 3989400 730.6194 2076.5709 1927.6934 114.9105 -206185.1132 17905.0774 0.0000 0.0000 33952.7032 -149477.5385 296.5174 -183430.2417 -149371.6402 298.4101 106.1927 140.0777 556203.0120 -2.0053 -2.0659 PRESSURE: 3989600 -40.5843 98.7292 10.5972 98.7285 -39.0951 -96.4367 10.5972 -96.4365 -27.1932 GPRESSURE: 3989600 27.7129 58.6653 94.9698 85.4782 -24.8245 -81.1159 -140.177 -122.367 -7.96281 PRESSAVG: 3989600 34.4141 -4.25534 -20.083 -4.25542 -45.9871 -30.8839 -20.083 -30.8838 31.7319 GPRESSAVG: 3989600 34.9313 -2.00958 -17.6392 -6.65209 -47.1392 -30.683 -22.4673 -31.9663 32.4173 TIMING: 3989600 CPU: 11998.7, 0.00300812/step Wall: 11998.7, 0.00300812/step, 0.84428 hours remaining, 209.460938 MB of memory in use. ENERGY: 3989600 714.8871 2108.0443 1907.7436 124.5588 -206306.1514 17799.4947 0.0000 0.0000 34373.1805 -149278.2425 300.1895 -183651.4230 -149178.1827 298.6852 -35.6242 -1.6914 557992.7214 6.7197 6.7365 PRESSURE: 3989800 -16.1435 -104.886 58.4551 -104.886 233.301 119.191 58.4547 119.192 -41.0552 GPRESSURE: 3989800 54.692 -51.7946 67.2912 -158.841 230.474 77.7868 30.2252 123.217 -19.572 PRESSAVG: 3989800 73.5508 -39.6447 1.7361 -39.6448 -0.217955 -21.2838 1.73611 -21.2839 -45.284 GPRESSAVG: 3989800 73.3744 -40.4806 -0.524744 -39.272 1.4893 -20.9459 4.60686 -20.553 -46.5458 TIMING: 3989800 CPU: 11999.3, 0.00298477/step Wall: 11999.3, 0.00298477/step, 0.837561 hours remaining, 209.460938 MB of memory in use. ENERGY: 3989800 744.4594 2074.1296 1930.0554 102.1694 -206171.3039 17850.2945 0.0000 0.0000 34170.7439 -149299.4518 298.4216 -183470.1957 -149201.8903 299.5781 58.7006 88.5315 556696.4216 9.3496 9.4393 PRESSURE: 3990000 -111.512 112.291 -73.2661 112.29 135.683 14.6469 -73.2659 14.6462 -31.5648 GPRESSURE: 3990000 -37.927 72.4728 -105.693 48.1128 125.973 29.0423 -106.762 52.544 19.2929 PRESSAVG: 3990000 27.1541 51.7239 -11.3524 51.7239 -11.7755 -33.1756 -11.3523 -33.1755 -18.9847 GPRESSAVG: 3990000 26.4319 51.7493 -10.9106 53.7852 -12.2118 -32.7803 -11.8944 -33.187 -17.3873 TIMING: 3990000 CPU: 11999.9, 0.00301802/step Wall: 11999.9, 0.00301802/step, 0.846724 hours remaining, 209.460938 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: 3990000 731.2582 2121.7065 1906.5619 101.3217 -206037.5605 17843.1220 0.0000 0.0000 34229.5879 -149104.0023 298.9355 -183333.5902 -149014.2305 299.4821 -2.4648 35.7797 558090.7601 -1.2020 -1.0558 PRESSURE: 3990200 340.269 -104.762 -113.633 -104.762 -35.0465 209.288 -113.633 209.285 205.934 GPRESSURE: 3990200 360.253 -136.127 -11.7936 -117.396 -19.8383 239.717 -95.4531 83.1943 256.719 PRESSAVG: 3990200 75.6195 1.49499 -14.2028 1.49508 52.8948 -7.76006 -14.2029 -7.75999 -97.6719 GPRESSAVG: 3990200 76.6342 0.190009 -14.2739 0.586387 53.0782 -6.38957 -14.7855 -9.15682 -98.6939 TIMING: 3990200 CPU: 12000.5, 0.00298576/step Wall: 12000.5, 0.00298576/step, 0.837507 hours remaining, 209.460938 MB of memory in use. ENERGY: 3990200 721.8653 2116.1893 1923.6793 108.8326 -206357.3155 18032.2662 0.0000 0.0000 34302.0882 -149152.3946 299.5687 -183454.4828 -149060.2857 299.3917 170.3856 199.0443 558183.8095 10.2808 10.3395 PRESSURE: 3990400 201.519 83.8323 17.7798 83.8316 176.263 113.563 17.7796 113.564 -86.2977 GPRESSURE: 3990400 270.657 122.411 54.0034 108.33 172.324 67.0301 8.66234 28.0447 -40.726 PRESSAVG: 3990400 82.0017 -5.52813 -7.5619 -5.5282 -82.9018 8.28887 -7.56193 8.2889 44.563 GPRESSAVG: 3990400 82.6137 -4.86793 -7.6977 -4.53339 -82.2474 6.69924 -6.0617 8.56142 43.251 TIMING: 3990400 CPU: 12001.1, 0.00299597/step Wall: 12001.1, 0.00299597/step, 0.840203 hours remaining, 209.460938 MB of memory in use. ENERGY: 3990400 730.7935 2084.8825 1913.3492 109.6363 -206382.2644 17926.6813 0.0000 0.0000 34306.2233 -149310.6983 299.6048 -183616.9216 -149217.8834 299.7674 97.1612 134.0851 557811.8374 14.5543 14.5391 PRESSURE: 3990600 -232.036 -161.836 98.1669 -161.837 254.895 -118.768 98.1667 -118.767 -129.794 GPRESSURE: 3990600 -227.348 -130.34 178.805 -145.008 252.918 -139.604 110.01 -210.577 -44.3008 PRESSAVG: 3990600 45.0767 -6.52284 24.2699 -6.52289 -32.5788 32.2627 24.27 32.2628 -22.3231 GPRESSAVG: 3990600 44.1443 -6.5242 21.1364 -6.06759 -32.7041 31.7099 25.1376 32.5419 -21.0585 TIMING: 3990600 CPU: 12001.7, 0.00297913/step Wall: 12001.7, 0.00297913/step, 0.835314 hours remaining, 209.460938 MB of memory in use. ENERGY: 3990600 747.3945 2100.0121 1932.8509 113.5013 -206504.3756 17983.3995 0.0000 0.0000 34447.1551 -149180.0621 300.8356 -183627.2172 -149087.9578 299.3545 -35.6453 -6.2437 558002.8550 -3.2751 -3.2061 PRESSURE: 3990800 -125.172 90.7003 167.503 90.7011 -90.2498 64.3677 167.504 64.3682 -67.1099 GPRESSURE: 3990800 -89.6031 109.58 165.084 143.913 -117.427 41.9257 166.028 111.158 21.2978 PRESSAVG: 3990800 -22.1713 4.40725 12.51 4.40725 -13.299 -24.8236 12.5099 -24.8235 38.1324 GPRESSAVG: 3990800 -20.9935 2.80767 16.1542 5.26131 -14.7793 -24.0008 10.6337 -24.8946 38.7689 TIMING: 3990800 CPU: 12002.3, 0.00297915/step Wall: 12002.3, 0.00297915/step, 0.835154 hours remaining, 209.460938 MB of memory in use. ENERGY: 3990800 751.2810 2088.6244 1943.4627 107.4562 -206175.8696 17790.3018 0.0000 0.0000 34424.6712 -149070.0723 300.6392 -183494.7435 -148968.5745 299.9913 -94.1774 -61.9107 557950.0421 0.8873 0.9987 PRESSURE: 3991000 50.4268 -219.843 -70.7207 -219.844 -150.543 -181.422 -70.7201 -181.422 -220.877 GPRESSURE: 3991000 43.0562 -271.914 -177.192 -147.677 -82.0066 -215.534 -2.54211 -148.504 -172.805 PRESSAVG: 3991000 71.8676 -18.507 1.25333 -18.507 -79.3531 -20.5095 1.25338 -20.5094 -7.84535 GPRESSAVG: 3991000 69.655 -19.9363 -0.249535 -18.3333 -76.5247 -19.9873 2.07764 -18.7589 -8.24824 TIMING: 3991000 CPU: 12002.9, 0.00298515/step Wall: 12002.9, 0.00298515/step, 0.836671 hours remaining, 209.460938 MB of memory in use. ENERGY: 3991000 779.6778 2061.4809 1962.0294 119.3527 -205968.1120 17682.9422 0.0000 0.0000 34413.0992 -148949.5298 300.5382 -183362.6290 -148856.7798 300.4173 -106.9977 -70.5853 558195.3882 -5.1103 -5.0393 PRESSURE: 3991200 104.851 23.6887 36.4079 23.6901 304.187 -87.9249 36.4083 -87.9249 48.8987 GPRESSURE: 3991200 99.3282 2.97002 3.8848 10.6534 341.512 -96.8689 82.9829 -76.8975 104.199 PRESSAVG: 3991200 8.70873 9.1961 13.3501 9.19619 -42.0014 -49.7413 13.3501 -49.7413 32.9205 GPRESSAVG: 3991200 9.52379 9.39186 12.9619 10.0912 -43.1196 -50.0969 12.8464 -51.9484 34.1944 TIMING: 3991200 CPU: 12003.5, 0.00296817/step Wall: 12003.5, 0.00296817/step, 0.831746 hours remaining, 209.460938 MB of memory in use. ENERGY: 3991200 759.3664 2086.1501 1958.4435 120.0898 -206646.5589 18253.8953 0.0000 0.0000 34294.0974 -149174.5164 299.4989 -183468.6138 -149081.6231 300.0429 152.6456 181.6797 557889.1073 -0.1241 0.1995 PRESSURE: 3991400 -223.565 -1.35781 172.421 -1.35804 -312.939 -108.009 172.421 -108.011 -69.203 GPRESSURE: 3991400 -198.883 -31.3377 208.837 -33.4416 -227.484 -169.825 174.291 -78.7865 -63.2561 PRESSAVG: 3991400 0.420627 -21.9677 31.8193 -21.9677 -34.5214 34.873 31.8193 34.8731 29.5543 GPRESSAVG: 3991400 1.12446 -19.4657 33.6299 -26.1206 -33.5557 32.8953 30.6772 35.0293 28.1162 TIMING: 3991400 CPU: 12004.1, 0.00299004/step Wall: 12004.1, 0.00299004/step, 0.83771 hours remaining, 209.460938 MB of memory in use. ENERGY: 3991400 749.6559 2014.3098 1973.7519 104.3189 -205884.6997 17444.4928 0.0000 0.0000 34342.3964 -149255.7740 299.9207 -183598.1704 -149155.3531 299.5544 -201.9023 -163.2077 557089.3420 -1.5155 -1.4384 PRESSURE: 3991600 -39.1947 208.093 6.05931 208.094 -119.301 -46.8437 6.05869 -46.8459 249.696 GPRESSURE: 3991600 33.4448 116.098 17.8657 213.412 -119.883 -57.58 49.6825 -142.27 281.002 PRESSAVG: 3991600 15.2216 1.46524 55.2939 1.46533 -15.5412 -12.6328 55.294 -12.6329 42.3507 GPRESSAVG: 3991600 14.6696 -0.820261 55.5626 4.2015 -16.6038 -11.1486 54.2123 -14.3983 43.4311 TIMING: 3991600 CPU: 12004.7, 0.00299096/step Wall: 12004.7, 0.00299096/step, 0.837802 hours remaining, 209.460938 MB of memory in use. ENERGY: 3991600 738.5742 2034.5224 1952.2259 125.1577 -206575.7287 17969.0229 0.0000 0.0000 34341.7253 -149414.5003 299.9148 -183756.2255 -149322.7318 298.9288 30.4001 64.8546 557423.4798 14.0104 13.8323 PRESSURE: 3991800 -54.8638 -44.1825 114.787 -44.1824 38.3654 11.9823 114.787 11.9812 -300.785 GPRESSURE: 3991800 -39.6753 -116.872 163.034 -26.8239 68.26 49.826 44.3758 -29.3127 -238.552 PRESSAVG: 3991800 -10.0424 19.9566 44.5427 19.9566 15.4803 -12.8668 44.5427 -12.8667 -23.8967 GPRESSAVG: 3991800 -10.644 18.7659 44.799 17.6837 16.7763 -11.877 45.6402 -11.9297 -24.8714 TIMING: 3991800 CPU: 12005.3, 0.00302021/step Wall: 12005.3, 0.00302021/step, 0.845827 hours remaining, 209.460938 MB of memory in use. ENERGY: 3991800 747.2219 2012.1237 1947.2387 107.3581 -206585.4238 17940.9058 0.0000 0.0000 34089.9033 -149740.6723 297.7156 -183830.5755 -149644.1160 297.9491 -105.7612 -69.9889 557328.1757 -6.1529 -6.2464 PRESSURE: 3992000 343.791 -178.673 61.397 -178.672 -262.144 58.089 61.397 58.0898 311.097 GPRESSURE: 3992000 405.301 -170.501 117.892 -153.565 -226.439 79.8244 63.0948 18.7554 316.103 PRESSAVG: 3992000 27.7183 16.4814 12.8929 16.4812 -36.4239 23.6517 12.8928 23.6517 44.7638 GPRESSAVG: 3992000 28.155 20.47 12.0252 18.5429 -36.8782 20.6599 13.2102 25.7392 44.9954 TIMING: 3992000 CPU: 12005.9, 0.00299227/step Wall: 12005.9, 0.00299227/step, 0.837834 hours remaining, 209.460938 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: 3992000 723.8764 2096.9941 1931.9232 104.2069 -206347.5425 17828.1782 0.0000 0.0000 33972.3917 -149689.9718 296.6893 -183662.3636 -149597.4805 298.3134 130.9148 164.9882 557713.3998 12.0194 12.0907 PRESSURE: 3992200 -61.6764 37.1522 13.5995 37.1525 333.789 92.87 13.6002 92.8688 -54.8548 GPRESSURE: 3992200 -17.5309 -9.14054 46.5809 16.4582 383.029 33.5724 -13.9216 153.068 -47.8319 PRESSAVG: 3992200 21.6479 -55.7135 9.45579 -55.7135 -32.852 -27.6148 9.45584 -27.6148 19.1223 GPRESSAVG: 3992200 21.9848 -59.8511 11.5284 -56.3109 -33.7057 -26.9619 8.13715 -29.5735 19.8841 TIMING: 3992200 CPU: 12006.5, 0.00299272/step Wall: 12006.5, 0.00299272/step, 0.837795 hours remaining, 209.460938 MB of memory in use. ENERGY: 3992200 750.0269 2074.0367 1942.0127 108.0074 -206637.0158 17990.3784 0.0000 0.0000 34169.3667 -149603.1870 298.4096 -183772.5536 -149512.4153 297.9205 72.4191 105.8886 555954.6937 2.6394 2.7210 LDB: ============= START OF LOAD BALANCING ============== 12010 LDB: ============== END OF LOAD BALANCING =============== 12010 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12010 LDB: ============= START OF LOAD BALANCING ============== 12010.3 LDB: Largest compute 4773 load 0.027871 is 23.6% of average load 0.118248 LDB: Average compute 0.001727 is 1.5% of average load 0.118248 LDB: TIME 12010.3 LOAD: AVG 0.118248 MAX 0.206785 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.227 MB LDB: TIME 12010.3 LOAD: AVG 0.118248 MAX 0.206785 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: TIME 12010.3 LOAD: AVG 0.118248 MAX 0.206785 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12010.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12010.3 PRESSURE: 3992400 0.833268 107.222 -16.3339 107.222 -66.6392 234.259 -16.334 234.259 187.154 GPRESSURE: 3992400 54.1336 49.5722 23.8191 239.684 -77.3409 314.525 -51.861 212.707 238.426 PRESSAVG: 3992400 3.1123 -6.47339 78.9687 -6.47343 -18.6843 -13.1104 78.9687 -13.1104 8.14241 GPRESSAVG: 3992400 2.86222 -2.115 76.7588 -6.83264 -17.3995 -11.9755 79.7259 -12.0463 7.83196 TIMING: 3992400 CPU: 12007.1, 0.00302863/step Wall: 12007.1, 0.00302863/step, 0.847679 hours remaining, 208.687500 MB of memory in use. ENERGY: 3992400 740.0401 2044.9065 1960.5027 109.5996 -206396.5819 17918.0187 0.0000 0.0000 34160.0587 -149463.4557 298.3283 -183623.5144 -149367.6853 297.6864 40.4492 71.7395 559077.4839 -2.4765 -2.2351 PRESSURE: 3992600 -149.984 11.7423 17.2922 11.7426 -119.793 -126.704 17.2928 -126.704 -339.639 GPRESSURE: 3992600 -109.976 58.6897 44.6878 39.5374 -85.8292 -130.367 -5.00261 -87.8323 -310.394 PRESSAVG: 3992600 -21.6435 -5.7416 20.6784 -5.74153 0.137473 80.0083 20.6784 80.0083 54.4094 GPRESSAVG: 3992600 -20.5337 -6.75348 20.1753 -5.78602 -0.729855 78.6869 22.3402 78.8201 53.8642 TIMING: 3992600 CPU: 12007.7, 0.00298807/step Wall: 12007.7, 0.00298807/step, 0.836162 hours remaining, 208.890625 MB of memory in use. ENERGY: 3992600 736.7748 2103.0591 1923.9417 114.1322 -206129.4172 17585.2389 0.0000 0.0000 34070.3590 -149595.9114 297.5449 -183666.2704 -149498.5410 297.6747 -203.1386 -168.7331 557969.9084 10.9678 10.8669 PRESSURE: 3992800 307.11 -82.033 69.6824 -82.0332 -192.323 158.462 69.6806 158.463 122.959 GPRESSURE: 3992800 324.5 -61.8442 47.0676 -12.9357 -138.905 157.389 82.0862 145.849 142.447 PRESSAVG: 3992800 73.917 0.994927 13.081 0.994895 -69.8653 27.1905 13.081 27.1906 -28.9815 GPRESSAVG: 3992800 72.4128 -0.0242494 14.5791 1.10767 -69.2939 28.6186 12.5744 27.8503 -28.2222 TIMING: 3992800 CPU: 12008.3, 0.00299055/step Wall: 12008.3, 0.00299054/step, 0.836688 hours remaining, 208.890625 MB of memory in use. ENERGY: 3992800 768.3516 2127.3015 1952.0523 120.1353 -206609.7029 17949.5218 0.0000 0.0000 34139.6294 -149552.7111 298.1499 -183692.3405 -149450.5690 298.2139 79.2486 109.3473 557804.8030 -8.3099 -8.3678 PRESSURE: 3993000 86.4301 2.39253 -109.879 2.39214 40.9509 222.871 -109.877 222.87 297.374 GPRESSURE: 3993000 176.564 27.8258 -76.2569 0.0254935 43.3044 235.386 -148.144 252.612 307.171 PRESSAVG: 3993000 5.07588 9.76051 -27.5054 9.76047 -97.0768 36.6467 -27.5055 36.6468 87.6596 GPRESSAVG: 3993000 7.44831 8.42228 -27.6668 10.7246 -97.7355 32.9983 -27.0708 38.5707 86.0709 TIMING: 3993000 CPU: 12008.9, 0.00299432/step Wall: 12008.9, 0.00299432/step, 0.837577 hours remaining, 208.890625 MB of memory in use. ENERGY: 3993000 719.6875 2069.5272 1942.4626 112.9932 -206722.5673 18129.9717 0.0000 0.0000 34372.1097 -149375.8154 300.1802 -183747.9251 -149285.4648 298.5199 141.5851 175.6798 557528.7469 -1.4471 -1.4054 PRESSURE: 3993200 -351.444 14.5354 -184.116 14.5347 -65.2269 30.8289 -184.116 30.8274 -37.6742 GPRESSURE: 3993200 -324.652 -72.1998 -88.7418 -14.1536 -1.67319 65.2211 -202.688 -51.8159 -28.2768 PRESSAVG: 3993200 -54.4587 -6.92367 1.33217 -6.92368 37.5313 37.364 1.3322 37.3639 -3.18593 GPRESSAVG: 3993200 -54.7452 -4.60129 1.84695 -8.85301 37.2573 39.2177 0.4951 35.7719 -2.14016 TIMING: 3993200 CPU: 12009.5, 0.00298748/step Wall: 12009.5, 0.00298748/step, 0.835499 hours remaining, 208.890625 MB of memory in use. ENERGY: 3993200 746.2987 2076.9359 1939.5227 107.9343 -205928.7581 17517.8995 0.0000 0.0000 34155.2928 -149384.8741 298.2867 -183540.1669 -149286.0876 298.6808 -151.4485 -118.2006 557996.3407 -6.7044 -6.5427 PRESSURE: 3993400 37.8993 -22.6997 5.79267 -22.701 116.504 36.5737 5.79218 36.5729 -25.3643 GPRESSURE: 3993400 116.918 -8.28025 -4.63248 -18.1411 143.713 50.4861 44.3833 91.5661 -39.4664 PRESSAVG: 3993400 -37.5155 -1.70021 -33.4596 -1.70028 23.3491 39.4458 -33.4597 39.446 43.0234 GPRESSAVG: 3993400 -38.2995 -0.785011 -34.0761 -0.0719614 23.5519 40.6633 -33.4471 38.5293 43.8356 TIMING: 3993400 CPU: 12010.1, 0.00298744/step Wall: 12010.1, 0.00298744/step, 0.835321 hours remaining, 208.890625 MB of memory in use. ENERGY: 3993400 713.2805 2070.4673 1956.5307 117.1912 -206209.0980 17758.3789 0.0000 0.0000 34285.6711 -149307.5783 299.4253 -183593.2494 -149204.0479 298.5164 43.0129 73.7215 554807.4694 9.6190 9.6960 PRESSURE: 3993600 44.1672 27.8709 -225.438 27.8712 258.913 -101.977 -225.438 -101.977 -237.307 GPRESSURE: 3993600 89.9072 -67.2118 -193.305 114.664 244.364 -24.3418 -284.707 -31.6657 -178.688 PRESSAVG: 3993600 -26.0037 -15.4208 10.1692 -15.4208 82.7916 62.9067 10.1692 62.9067 17.5055 GPRESSAVG: 3993600 -27.4101 -15.9092 9.51683 -15.7693 84.3145 62.6378 11.0141 62.6098 17.5715 TIMING: 3993600 CPU: 12010.7, 0.00300468/step Wall: 12010.7, 0.00300468/step, 0.839976 hours remaining, 208.890625 MB of memory in use. ENERGY: 3993600 716.2775 2043.9335 1958.7146 114.0492 -206363.1884 17791.2369 0.0000 0.0000 34279.0240 -149459.9528 299.3672 -183738.9767 -149371.9351 298.5350 21.9245 51.8609 556261.9294 24.7645 24.8253 PRESSURE: 3993800 76.0073 -60.0245 44.3807 -60.0245 145.74 -107.24 44.3814 -107.243 209.357 GPRESSURE: 3993800 96.8205 -11.1489 14.7787 -85.7259 188.263 -97.7802 37.1374 -28.7032 252.169 PRESSAVG: 3993800 -51.9104 26.6636 -12.773 26.6637 64.7517 24.0014 -12.773 24.0013 12.9956 GPRESSAVG: 3993800 -50.7173 26.1727 -10.4121 24.0697 64.4678 22.0568 -14.8039 25.88 12.5014 TIMING: 3993800 CPU: 12011.3, 0.00296853/step Wall: 12011.3, 0.00296853/step, 0.829705 hours remaining, 208.890625 MB of memory in use. ENERGY: 3993800 759.3398 2092.4322 1943.7732 109.8465 -206386.5811 18096.9573 0.0000 0.0000 33939.4471 -149444.7851 296.4016 -183384.2322 -149344.2110 298.4011 143.7017 179.0840 556671.8717 8.6123 8.7506 PRESSURE: 3994000 26.5117 -49.2708 27.9054 -49.2691 -75.644 95.7127 27.905 95.7139 133.105 GPRESSURE: 3994000 65.4533 -21.4991 -0.589196 -124.424 -53.9853 168.092 -41.4495 6.60416 165.246 PRESSAVG: 3994000 -43.1384 19.9498 2.86772 19.9498 10.8122 69.4021 2.86773 69.4022 -4.45551 GPRESSAVG: 3994000 -42.2923 19.6178 1.42111 22.4053 10.6424 70.1281 3.2798 69.2558 -5.00395 TIMING: 3994000 CPU: 12011.9, 0.00301808/step Wall: 12011.9, 0.00301808/step, 0.843385 hours remaining, 208.890625 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: 3994000 750.9376 2057.8200 1950.8471 112.7984 -206117.6107 17852.3040 0.0000 0.0000 34083.8190 -149309.0846 297.6625 -183392.9036 -149210.4435 298.7960 27.9911 58.9046 556696.0911 -12.2606 -12.2180 PRESSURE: 3994200 -80.4654 -6.95573 -154.388 -6.956 -139.113 -1.8009 -154.388 -1.80272 -71.1372 GPRESSURE: 3994200 -35.5836 -54.5964 -156.225 29.2193 -102.518 73.4049 -231.088 -55.8699 -61.4679 PRESSAVG: 3994200 -71.4591 24.9413 -40.3829 24.9412 -20.981 2.92057 -40.3829 2.92066 72.7406 GPRESSAVG: 3994200 -72.2779 24.4934 -39.68 27.0791 -21.0102 3.13738 -41.8652 0.909795 73.8073 TIMING: 3994200 CPU: 12012.5, 0.00302469/step Wall: 12012.5, 0.00302469/step, 0.845064 hours remaining, 208.890625 MB of memory in use. ENERGY: 3994200 714.0968 2079.2425 1942.8990 112.6191 -206212.6575 17721.2920 0.0000 0.0000 34217.4307 -149425.0774 298.8293 -183642.5082 -149329.2858 297.5405 -96.9052 -66.5232 557699.6430 -6.5665 -6.4936 PRESSURE: 3994400 -264.388 -168.593 224.022 -168.593 -66.33 216.463 224.02 216.462 -151.638 GPRESSURE: 3994400 -210.962 -165.017 153.935 -38.5988 -48.1389 133.478 263.099 235.807 -126.151 PRESSAVG: 3994400 -16.6012 40.3782 45.9727 40.3783 26.9511 5.29913 45.9728 5.29905 12.6845 GPRESSAVG: 3994400 -15.7996 41.4217 45.9852 36.2718 25.9321 4.44212 46.7865 5.98571 12.702 TIMING: 3994400 CPU: 12013.1, 0.00304466/step Wall: 12013.1, 0.00304466/step, 0.850474 hours remaining, 208.890625 MB of memory in use. ENERGY: 3994400 782.4540 2060.1604 1945.9371 111.1031 -205780.9988 17408.6856 0.0000 0.0000 34175.6733 -149296.9854 298.4647 -183472.6587 -149203.5810 298.6528 -160.7851 -128.4175 557314.5319 7.6781 7.6115 PRESSURE: 3994600 -118.825 74.9893 -1.63873 74.9896 -10.5974 107.247 -1.63796 107.247 -303.187 GPRESSURE: 3994600 -94.533 47.6203 -31.374 121.183 23.9876 210.37 -13.6182 92.2415 -273.878 PRESSAVG: 3994600 -8.08049 -64.5885 9.76262 -64.5885 65.2831 44.6435 9.76267 44.6435 -22.8999 GPRESSAVG: 3994600 -6.908 -64.485 10.1866 -64.1042 64.6981 44.4644 8.81224 45.8886 -23.2684 TIMING: 3994600 CPU: 12013.7, 0.00298738/step Wall: 12013.7, 0.00298738/step, 0.834308 hours remaining, 208.890625 MB of memory in use. ENERGY: 3994600 745.4647 2120.7476 1937.8913 113.5544 -206386.2554 17670.4441 0.0000 0.0000 34352.2589 -149445.8945 300.0068 -183798.1534 -149345.4257 299.2340 -144.2030 -114.8078 556660.5246 11.4342 11.5072 PRESSURE: 3994800 -204.022 -72.3756 -6.16373 -72.3768 132.628 -38.7625 -6.16556 -38.7607 -203.137 GPRESSURE: 3994800 -164.075 -188.826 -98.632 -75.8613 130.205 -61.6637 93.4448 43.9868 -150.503 PRESSAVG: 3994800 -54.4002 -52.9291 10.9606 -52.9291 79.5597 67.1051 10.9606 67.105 -45.0624 GPRESSAVG: 3994800 -55.1239 -53.0197 8.71843 -52.4495 80.1875 68.3448 13.524 66.6072 -45.8735 TIMING: 3994800 CPU: 12014.3, 0.00299165/step Wall: 12014.3, 0.00299165/step, 0.835336 hours remaining, 208.890625 MB of memory in use. ENERGY: 3994800 764.3827 2104.4310 1946.2277 111.9011 -206134.9577 17662.6366 0.0000 0.0000 34209.2496 -149336.1291 298.7579 -183545.3787 -149243.1639 298.9790 -91.5103 -61.4575 556838.4645 -6.6343 -6.9366 PRESSURE: 3995000 -252.652 -49.696 -8.59969 -49.696 15.2608 -116.569 -8.59996 -116.57 56.9479 GPRESSURE: 3995000 -276.258 -140.358 25.895 21.9109 55.9512 -156.328 44.7835 -44.2622 147.816 PRESSAVG: 3995000 -65.523 -14.4102 41.4679 -14.4103 53.8621 51.1103 41.4679 51.1102 22.5081 GPRESSAVG: 3995000 -66.49 -17.0692 43.5494 -14.0237 54.0663 50.4988 39.7732 51.7343 23.6968 TIMING: 3995000 CPU: 12014.9, 0.0030013/step Wall: 12014.9, 0.0030013/step, 0.837863 hours remaining, 208.890625 MB of memory in use. ENERGY: 3995000 737.6772 2049.5668 1962.9544 118.4318 -206335.6408 17763.6729 0.0000 0.0000 34095.5376 -149607.8002 297.7648 -183703.3378 -149523.2599 298.5033 -60.1478 -24.1635 557883.0060 3.6157 3.7577 PRESSURE: 3995200 64.0091 -6.45163 48.7357 -6.45182 -256.146 94.987 48.735 94.986 -67.5043 GPRESSURE: 3995200 51.8903 -59.7831 94.9448 -10.3506 -215.853 25.4913 29.8057 72.4064 6.11769 PRESSAVG: 3995200 39.3674 23.0365 3.11154 23.0364 -53.6772 19.0801 3.11158 19.0801 8.00204 GPRESSAVG: 3995200 39.8636 21.3911 2.86202 24.8495 -53.2603 19.0264 4.52091 17.493 6.74863 TIMING: 3995200 CPU: 12015.5, 0.00296635/step Wall: 12015.5, 0.00296635/step, 0.82794 hours remaining, 208.890625 MB of memory in use. ENERGY: 3995200 730.8199 2098.8535 1923.2522 109.6776 -206413.4760 17752.9941 0.0000 0.0000 34219.5896 -149578.2891 298.8482 -183797.8787 -149476.2804 298.0134 -86.5470 -52.6148 559090.7174 -2.1026 -2.2160 PRESSURE: 3995400 -154.526 -86.4737 -56.748 -86.4727 44.1948 181.623 -56.7479 181.624 -101.685 GPRESSURE: 3995400 -101.875 -129.662 -111.149 -121.233 80.4347 128.57 -72.2795 243.648 -91.5657 PRESSAVG: 3995400 48.2619 -33.381 9.92284 -33.3809 -52.1263 -3.54187 9.92284 -3.54192 17.6547 GPRESSAVG: 3995400 48.2716 -30.1719 7.03568 -36.1569 -51.3332 -2.75613 9.88884 -1.82045 16.8419 TIMING: 3995400 CPU: 12016.1, 0.00297025/step Wall: 12016.1, 0.00297025/step, 0.828866 hours remaining, 208.890625 MB of memory in use. ENERGY: 3995400 705.8757 2139.7735 1928.8467 122.7984 -206475.0757 17909.9621 0.0000 0.0000 34142.0577 -149525.7615 298.1711 -183667.8192 -149436.2130 298.8619 -70.6721 -37.6686 558606.8675 4.5968 4.5935 PRESSURE: 3995600 52.7729 -109.129 44.4419 -109.129 -42.9095 -1.04244 44.4435 -1.0428 -12.8258 GPRESSURE: 3995600 97.7219 -94.3578 116.841 -23.9242 25.6894 -12.4719 20.5531 -41.1556 -24.6498 PRESSAVG: 3995600 -13.6699 -35.539 -47.1676 -35.5389 -10.2996 54.2117 -47.1676 54.2116 17.6482 GPRESSAVG: 3995600 -14.0022 -35.5103 -44.9472 -33.4372 -9.5692 52.9719 -48.5395 52.6644 17.9609 TIMING: 3995600 CPU: 12016.7, 0.00298749/step Wall: 12016.7, 0.00298749/step, 0.833509 hours remaining, 208.890625 MB of memory in use. ENERGY: 3995600 789.5006 2123.2975 1935.2565 114.9912 -206702.1933 18062.5734 0.0000 0.0000 34302.5519 -149374.0221 299.5727 -183676.5740 -149278.5103 298.9267 -0.9875 32.9205 558072.7976 -2.1071 -1.8701 PRESSURE: 3995800 67.9076 -44.5465 -42.0795 -44.5464 93.4959 87.4374 -42.0782 87.4361 -131.378 GPRESSURE: 3995800 119.024 -77.7902 -69.9026 -176.571 80.1424 90.0126 20.9207 124.362 -68.1713 PRESSAVG: 3995800 -6.17941 -36.8447 -14.6437 -36.8448 -10.7481 59.5783 -14.6438 59.5782 -17.8824 GPRESSAVG: 3995800 -6.52865 -35.8905 -14.333 -39.4437 -12.2118 58.948 -11.957 60.83 -16.5498 TIMING: 3995800 CPU: 12017.3, 0.00301394/step Wall: 12017.3, 0.00301394/step, 0.840721 hours remaining, 208.890625 MB of memory in use. ENERGY: 3995800 743.3507 2011.2110 1942.6220 115.4682 -205982.5984 17661.0188 0.0000 0.0000 34092.4292 -149416.4985 297.7377 -183508.9277 -149316.7317 298.1279 10.0084 43.6650 558489.3934 -11.6033 -11.7634 PRESSURE: 3996000 -76.8579 63.9594 11.8513 63.9585 -8.55373 162.783 11.8513 162.782 -92.8231 GPRESSURE: 3996000 -71.9306 10.7518 18.2482 101.398 65.2825 124.404 58.6934 133.69 -88.5189 PRESSAVG: 3996000 65.7554 -68.8705 -4.58688 -68.8705 -16.3333 21.9359 -4.5869 21.9359 -37.3663 GPRESSAVG: 3996000 65.9915 -71.6614 -4.20409 -66.1213 -15.9264 23.5784 -5.07012 21.0172 -38.2403 TIMING: 3996000 CPU: 12017.9, 0.00301017/step Wall: 12017.9, 0.00301017/step, 0.839503 hours remaining, 208.890625 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: 3996000 773.1404 2050.4862 1949.8322 114.6146 -206165.6123 17807.4513 0.0000 0.0000 34082.2905 -149387.7970 297.6491 -183470.0875 -149294.3938 297.9906 -59.4116 -31.7223 557175.3300 4.0186 3.9416 PRESSURE: 3996200 -117.991 144.071 42.1787 144.072 -113.397 101.235 42.1796 101.234 -464.647 GPRESSURE: 3996200 -37.3268 199.813 131.875 104.388 -88.7522 80.9145 -37.1495 84.3506 -475.268 PRESSAVG: 3996200 12.6037 2.81483 36.0632 2.81487 18.8683 -32.7845 36.0632 -32.7845 26.8443 GPRESSAVG: 3996200 12.9503 6.8728 34.9344 1.16153 17.8838 -33.1379 35.0262 -32.4948 29.0059 TIMING: 3996200 CPU: 12018.5, 0.00300113/step Wall: 12018.5, 0.00300113/step, 0.836816 hours remaining, 208.890625 MB of memory in use. ENERGY: 3996200 740.2841 2083.3659 1927.7836 106.4853 -206175.4848 17621.8618 0.0000 0.0000 34187.7700 -149507.9340 298.5703 -183695.7040 -149411.8622 298.8136 -232.0119 -200.4491 556872.9981 19.4388 19.9467 LDB: ============= START OF LOAD BALANCING ============== 12022 LDB: ============== END OF LOAD BALANCING =============== 12022 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12022 LDB: ============= START OF LOAD BALANCING ============== 12022.3 LDB: Largest compute 4802 load 0.029379 is 24.9% of average load 0.118208 LDB: Average compute 0.001735 is 1.5% of average load 0.118208 LDB: TIME 12022.3 LOAD: AVG 0.118208 MAX 0.211048 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.738 MB LDB: TIME 12022.3 LOAD: AVG 0.118208 MAX 0.211048 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.77 MB LDB: TIME 12022.3 LOAD: AVG 0.118208 MAX 0.211048 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.77 MB LDB: ============== END OF LOAD BALANCING =============== 12022.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12022.3 PRESSURE: 3996400 5.49963 194.933 105.295 194.933 -102.974 -92.4238 105.294 -92.4252 6.38222 GPRESSURE: 3996400 36.98 233.942 56.0652 69.2112 -75.0771 -65.8649 123.163 -135.391 51.8857 PRESSAVG: 3996400 24.605 1.05916 28.8345 1.05912 -15.9248 27.3117 28.8344 27.3117 -27.0025 GPRESSAVG: 3996400 24.3612 -1.40907 31.2618 2.55915 -14.8967 27.2441 26.3446 27.876 -27.5486 TIMING: 3996400 CPU: 12019.1, 0.00305622/step Wall: 12019.1, 0.00305622/step, 0.852005 hours remaining, 210.191406 MB of memory in use. ENERGY: 3996400 711.0733 2103.5594 1972.0718 108.0158 -206134.2648 17653.0882 0.0000 0.0000 34189.7943 -149396.6620 298.5880 -183586.4563 -149297.0898 298.9067 -30.3639 4.5962 555737.6498 -6.1074 -6.0280 PRESSURE: 3996600 103.461 32.8922 -84.0665 32.8922 367.401 -120.629 -84.0675 -120.63 158.733 GPRESSURE: 3996600 200.111 27.941 -173.158 21.6192 416.692 -79.4411 -16.043 -114.212 120.142 PRESSAVG: 3996600 -46.6727 30.2749 -60.015 30.2749 43.4823 16.8303 -60.015 16.8301 16.4424 GPRESSAVG: 3996600 -46.2357 30.3003 -61.8693 28.4627 43.704 16.6072 -56.2616 15.8961 15.5409 TIMING: 3996600 CPU: 12019.7, 0.00297884/step Wall: 12019.7, 0.00297884/step, 0.83027 hours remaining, 210.519531 MB of memory in use. ENERGY: 3996600 724.0908 2064.7699 1930.4134 107.2989 -206685.6517 18139.1783 0.0000 0.0000 34073.0620 -149646.8383 297.5685 -183719.9003 -149555.6043 298.5788 209.8650 245.6486 554519.8629 4.4173 4.3364 PRESSURE: 3996800 154.817 -70.8392 126.153 -70.8399 -105.922 -72.8075 126.153 -72.8076 28.2036 GPRESSURE: 3996800 204.769 -39.1338 52.8807 39.8947 -55.2617 -46.4703 154.651 -135.145 31.0106 PRESSAVG: 3996800 22.2178 -2.99995 53.0925 -2.99999 23.7116 29.8178 53.0925 29.8177 -19.6283 GPRESSAVG: 3996800 22.2734 -2.64489 53.3912 -2.82026 23.7516 31.4253 50.6876 28.1214 -19.6052 TIMING: 3996800 CPU: 12020.3, 0.00296793/step Wall: 12020.3, 0.00296793/step, 0.827062 hours remaining, 210.519531 MB of memory in use. ENERGY: 3996800 779.6737 2067.5986 1951.0670 101.6128 -206611.6624 17887.8738 0.0000 0.0000 34390.8978 -149432.9386 300.3443 -183823.8364 -149333.5392 298.8170 25.6996 60.1727 554748.7663 8.7670 8.8066 PRESSURE: 3997000 -16.4493 41.4311 88.487 41.4314 -72.9858 26.9638 88.486 26.9632 133.647 GPRESSURE: 3997000 25.8251 30.3997 81.5405 -6.87379 30.4577 34.3819 104.827 26.507 91.3666 PRESSAVG: 3997000 24.783 -5.17575 31.2221 -5.17577 -11.834 -89.5801 31.2221 -89.58 21.1484 GPRESSAVG: 3997000 24.9706 -5.56964 32.1743 -6.40326 -10.3108 -90.2967 32.1132 -85.9272 19.6214 TIMING: 3997000 CPU: 12020.9, 0.00297586/step Wall: 12020.9, 0.00297586/step, 0.829107 hours remaining, 210.519531 MB of memory in use. ENERGY: 3997000 739.7515 2037.2327 1956.9414 110.0390 -206534.1155 17981.5383 0.0000 0.0000 34306.0822 -149402.5304 299.6035 -183708.6126 -149308.6307 298.8757 14.7373 49.2164 555519.9880 11.3658 11.4270 PRESSURE: 3997200 -18.1436 0.366468 -96.0481 0.365634 257.312 -98.6 -96.0485 -98.6013 208.226 GPRESSURE: 3997200 -7.93065 -35.4828 -118.528 20.0282 268.225 -2.02377 -107.802 -147.63 272.317 PRESSAVG: 3997200 -57.7988 42.9014 -1.8754 42.9013 30.0865 -19.8227 -1.87545 -19.8228 31.2733 GPRESSAVG: 3997200 -57.745 41.1948 -2.65151 44.0642 28.201 -18.9365 -1.72144 -20.5399 33.6232 TIMING: 3997200 CPU: 12021.5, 0.00298225/step Wall: 12021.5, 0.00298225/step, 0.830723 hours remaining, 210.519531 MB of memory in use. ENERGY: 3997200 716.5588 2089.5435 1957.5161 133.0423 -206384.7884 18043.1512 0.0000 0.0000 34311.5308 -149133.4457 299.6511 -183444.9765 -149038.0367 299.1302 149.1313 177.5373 558000.0351 1.1870 1.3597 PRESSURE: 3997400 -159.083 136.51 -21.5506 136.509 -145.012 127.88 -21.5524 127.879 -223.33 GPRESSURE: 3997400 -169.374 133.953 -42.6013 73.7234 -40.6804 88.8081 -125.044 60.0252 -224.588 PRESSAVG: 3997400 -15.6198 45.8514 14.0814 45.8514 -19.0492 11.923 14.0814 11.9228 24.7772 GPRESSAVG: 3997400 -15.7347 48.8065 15.2999 45.1756 -18.7967 9.51785 12.3689 13.3067 24.0562 TIMING: 3997400 CPU: 12022.1, 0.00299368/step Wall: 12022.1, 0.00299368/step, 0.833739 hours remaining, 210.519531 MB of memory in use. ENERGY: 3997400 738.7378 2072.2243 1969.8540 117.3478 -205622.6912 17524.8082 0.0000 0.0000 34060.4189 -149139.3002 297.4581 -183199.7191 -149034.6207 299.0446 -175.8084 -144.8806 558669.4155 -3.2973 -3.4917 PRESSURE: 3997600 -320.65 60.3372 -57.2064 60.3357 -133.684 81.67 -57.2062 81.6692 -169.57 GPRESSURE: 3997600 -258.289 61.0696 -78.7873 82.3189 -159.874 64.4966 0.0404384 103.663 -110.239 PRESSAVG: 3997600 -20.1062 12.6114 23.7678 12.6114 -22.0768 16.7023 23.7678 16.7023 35.695 GPRESSAVG: 3997600 -20.2173 11.0902 20.8096 13.4202 -22.1007 18.9853 28.1943 14.0192 36.2389 TIMING: 3997600 CPU: 12022.7, 0.00298354/step Wall: 12022.7, 0.00298354/step, 0.83075 hours remaining, 210.519531 MB of memory in use. ENERGY: 3997600 727.0144 2054.1289 1938.9992 96.0044 -205607.9046 17440.8221 0.0000 0.0000 34180.0320 -149170.9037 298.5027 -183350.9357 -149073.9954 299.2753 -207.9679 -176.1339 558932.9708 -2.1627 -2.0264 PRESSURE: 3997800 116.366 130.876 42.2137 130.876 -110.394 -13.6673 42.2121 -13.6682 -92.5399 GPRESSURE: 3997800 159.182 127.448 87.7526 81.2158 -116.638 36.7993 34.6613 -43.9624 -34.2176 PRESSAVG: 3997800 -4.45535 4.52915 13.1843 4.52921 20.178 29.5062 13.1843 29.5062 -10.2211 GPRESSAVG: 3997800 -3.88646 6.1219 16.6324 3.39966 20.7522 30.164 11.0353 28.8827 -11.3218 TIMING: 3997800 CPU: 12023.3, 0.00299675/step Wall: 12023.3, 0.00299675/step, 0.834261 hours remaining, 210.519531 MB of memory in use. ENERGY: 3997800 714.8858 2091.4307 1920.2392 105.9289 -205899.4855 17611.4272 0.0000 0.0000 34307.5489 -149148.0250 299.6164 -183455.5738 -149056.6880 299.6443 -28.8561 2.7756 557180.3347 1.8339 1.8480 PRESSURE: 3998000 -142.359 44.4213 -39.1395 44.4231 -292.233 -53.644 -39.1407 -53.644 19.6666 GPRESSURE: 3998000 -63.7784 55.4303 -19.5981 87.2733 -300.935 6.11689 -125.796 -164.606 56.6992 PRESSAVG: 3998000 0.44042 -20.9436 15.3117 -20.9436 -39.1076 63.4875 15.3117 63.4875 3.20995 GPRESSAVG: 3998000 0.0639417 -22.5644 12.6964 -19.5912 -39.3114 62.76 16.0384 63.3693 3.57107 TIMING: 3998000 CPU: 12023.9, 0.00298315/step Wall: 12023.9, 0.00298315/step, 0.830309 hours remaining, 210.519531 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: 3998000 733.0520 2012.2693 1947.8624 114.1616 -206088.2207 17652.6600 0.0000 0.0000 34430.8513 -149197.3641 300.6932 -183628.2154 -149091.7534 299.4295 -138.3084 -102.6713 557291.7827 -11.8191 -11.8921 PRESSURE: 3998200 -98.7933 213.049 -104.63 213.05 -197.613 159.957 -104.628 159.957 -4.55603 GPRESSURE: 3998200 -80.3786 207.819 12.3941 164.605 -143.269 155.931 -116.174 102.535 26.123 PRESSAVG: 3998200 -18.2555 14.8349 -29.2055 14.8349 17.9716 13.6647 -29.2054 13.6647 38.584 GPRESSAVG: 3998200 -19.0189 14.1885 -29.9459 13.1799 17.276 13.5186 -27.7345 15.4781 39.841 TIMING: 3998200 CPU: 12024.5, 0.00298637/step Wall: 12024.5, 0.00298637/step, 0.831041 hours remaining, 210.519531 MB of memory in use. ENERGY: 3998200 723.6845 2102.7175 1943.2889 123.2520 -206301.2959 17954.6555 0.0000 0.0000 34074.7131 -149378.9844 297.5829 -183453.6974 -149287.7051 299.1221 -100.3209 -65.8414 558680.8018 12.7667 12.6994 PRESSURE: 3998400 -134.252 184.828 -7.2768 184.83 -169.338 -48.0148 -7.27662 -48.0137 -24.4936 GPRESSURE: 3998400 -77.2483 216.177 -107.286 105.224 -151.989 -63.1957 -64.4368 -73.8389 -1.0531 PRESSAVG: 3998400 4.36821 21.1152 -23.6824 21.1152 -88.078 -2.74784 -23.6824 -2.74774 70.0754 GPRESSAVG: 3998400 3.55747 23.0475 -21.5642 24.0616 -87.4568 -2.52608 -25.092 -3.24301 69.8854 TIMING: 3998400 CPU: 12025, 0.00297832/step Wall: 12025, 0.00297832/step, 0.828634 hours remaining, 210.519531 MB of memory in use. ENERGY: 3998400 725.9454 2060.9025 1933.0430 113.0190 -205896.6514 17560.4292 0.0000 0.0000 34154.5610 -149348.7515 298.2803 -183503.3124 -149257.2832 298.2581 -109.3613 -76.7636 559249.7839 -4.5448 -4.6713 PRESSURE: 3998600 -358.638 46.4826 168.465 46.4821 -175.542 53.48 168.464 53.4788 16.4752 GPRESSURE: 3998600 -309.408 92.2531 232.226 -12.7381 -139.415 55.8102 137.543 6.59089 27.3101 PRESSAVG: 3998600 -63.3104 24.561 25.0342 24.5611 -39.9459 -5.51447 25.0342 -5.51456 86.3468 GPRESSAVG: 3998600 -61.7053 23.1488 23.3068 23.1074 -41.7078 -6.33777 25.59 -4.96825 86.2826 TIMING: 3998600 CPU: 12025.7, 0.00301677/step Wall: 12025.7, 0.00301677/step, 0.839166 hours remaining, 210.519531 MB of memory in use. ENERGY: 3998600 727.5926 2140.9032 1926.8094 110.5222 -205748.7268 17355.2906 0.0000 0.0000 34116.5896 -149371.0192 297.9487 -183487.6088 -149276.5026 298.8086 -172.5682 -140.5043 558461.7997 -5.6365 -5.7101 PRESSURE: 3998800 98.767 162.695 69.8581 162.695 48.5449 19.6735 69.8577 19.6724 98.7948 GPRESSURE: 3998800 131.963 223.439 20.0019 91.4802 102.898 -57.8189 147.124 73.1634 108.278 PRESSAVG: 3998800 -39.0695 -14.9436 6.18414 -14.9436 -6.12105 30.6634 6.18415 30.6632 36.5598 GPRESSAVG: 3998800 -39.8358 -13.2671 6.27971 -16.0617 -3.82555 31.9963 6.62402 30.1656 35.8187 TIMING: 3998800 CPU: 12026.3, 0.00303423/step Wall: 12026.3, 0.00303423/step, 0.843853 hours remaining, 210.519531 MB of memory in use. ENERGY: 3998800 708.4707 2049.3867 1936.0025 107.2011 -206205.7125 17936.7959 0.0000 0.0000 34160.7579 -149307.0977 298.3344 -183467.8556 -149209.1186 297.9911 82.0356 114.3797 559045.6182 -2.8769 -2.6142 PRESSURE: 3999000 44.1302 -17.7686 171.209 -17.7674 -27.4728 33.4962 171.21 33.4968 -139.781 GPRESSURE: 3999000 92.886 -36.5834 184.304 -54.1831 16.4008 2.66002 180.754 42.389 -143.862 PRESSAVG: 3999000 26.7726 39.7955 81.8577 39.7954 -7.67681 36.9349 81.8577 36.9349 2.11462 GPRESSAVG: 3999000 28.5779 38.8912 81.2595 41.7537 -9.06773 36.1943 79.2016 36.258 1.74371 TIMING: 3999000 CPU: 12026.9, 0.00302113/step Wall: 12026.9, 0.00302113/step, 0.840042 hours remaining, 210.519531 MB of memory in use. ENERGY: 3999000 726.0927 2033.2510 1967.3553 127.7261 -206147.3560 17711.9610 0.0000 0.0000 34370.5476 -149210.4222 300.1665 -183580.9699 -149109.1651 299.1939 -41.0412 -11.5250 557167.7311 7.0701 7.0846 PRESSURE: 3999200 -69.8747 122.333 0.09738 122.333 15.7399 -57.9368 0.0977599 -57.9369 -267.016 GPRESSURE: 3999200 25.9464 143.283 4.90714 119.521 13.2963 -0.549308 21.2258 -14.2653 -262.679 PRESSAVG: 3999200 36.421 17.5895 56.5568 17.5895 -71.0335 -14.1785 56.5567 -14.1785 3.78117 GPRESSAVG: 3999200 34.864 19.2209 58.3095 16.2176 -70.5449 -14.8768 56.5897 -12.2448 5.14481 TIMING: 3999200 CPU: 12027.5, 0.00300778/step Wall: 12027.5, 0.00300778/step, 0.836162 hours remaining, 210.519531 MB of memory in use. ENERGY: 3999200 708.7829 2102.3580 1942.5669 126.4365 -206210.2127 17851.2310 0.0000 0.0000 34130.0413 -149348.7961 298.0661 -183478.8374 -149244.3337 298.7815 -107.0502 -74.4786 558898.0471 -10.2771 -10.1787 PRESSURE: 3999400 96.1529 3.97875 -21.7038 3.97884 -124.562 -86.2003 -21.7031 -86.2007 -78.9838 GPRESSURE: 3999400 101.749 -45.6772 -92.0265 106.684 -71.5722 -126.608 48.5906 -13.9196 -27.8996 PRESSAVG: 3999400 27.5797 -25.8369 -50.1203 -25.8369 -8.27246 30.8967 -50.1203 30.8967 -46.9292 GPRESSAVG: 3999400 27.044 -28.4254 -49.0576 -26.9429 -8.19798 32.0144 -50.7702 29.4052 -46.7331 TIMING: 3999400 CPU: 12028.1, 0.00296992/step Wall: 12028.1, 0.00296992/step, 0.825472 hours remaining, 210.519531 MB of memory in use. ENERGY: 3999400 746.9729 2045.8756 1958.0164 111.1689 -206268.1464 17745.2696 0.0000 0.0000 34348.5487 -149312.2943 299.9744 -183660.8429 -149220.9388 299.1951 -35.7978 0.7589 557546.2098 -9.2073 -9.2957 PRESSURE: 3999600 1.14907 -172.857 -0.813073 -172.858 -62.7188 135.616 -0.813021 135.618 -68.6459 GPRESSURE: 3999600 88.9366 -152.243 36.8034 -181.017 -66.5179 113.758 18.9298 158.591 -45.9509 PRESSAVG: 3999600 26.975 6.69809 16.103 6.69812 -2.89146 -0.540455 16.103 -0.540432 -14.0782 GPRESSAVG: 3999600 27.8386 7.0999 14.1462 7.16199 -3.55306 -1.15792 17.7188 0.243915 -14.3688 TIMING: 3999600 CPU: 12028.7, 0.0029867/step Wall: 12028.7, 0.0029867/step, 0.82997 hours remaining, 210.519531 MB of memory in use. ENERGY: 3999600 728.4722 2146.4855 1957.3920 114.6588 -206041.3784 17543.5764 0.0000 0.0000 34204.3935 -149346.4001 298.7155 -183550.7936 -149253.5079 299.0362 -43.4052 -7.8441 557010.0488 3.3351 3.3056 PRESSURE: 3999800 34.8878 -158.949 -30.9383 -158.949 101.129 169.747 -30.939 169.747 -202.21 GPRESSURE: 3999800 119.946 -203.62 87.0939 -200.523 121.873 223.429 -96.3397 41.5548 -216.39 PRESSAVG: 3999800 68.877 -66.3172 -7.50142 -66.3171 19.9925 14.4233 -7.50147 14.4234 -42.8059 GPRESSAVG: 3999800 68.0449 -66.445 -6.17906 -66.2975 19.9008 15.3127 -8.07729 13.0176 -42.016 TIMING: 3999800 CPU: 12029.3, 0.00300896/step Wall: 12029.3, 0.00300896/step, 0.83599 hours remaining, 210.519531 MB of memory in use. ENERGY: 3999800 723.7572 2072.0795 1916.8903 118.5378 -206282.6021 17835.5579 0.0000 0.0000 34251.7746 -149364.0049 299.1293 -183615.7795 -149270.6975 298.9740 -22.0642 8.4762 557343.5241 15.3546 15.3099 PRESSURE: 4000000 11.4749 -93.5873 -277.359 -93.5875 -242.83 17.3823 -277.358 17.3831 -72.2638 GPRESSURE: 4000000 65.6695 -104.198 -186.187 -42.6778 -229.636 -7.26727 -270.011 24.812 -43.0862 PRESSAVG: 4000000 0.129693 -79.1316 -43.8522 -79.1315 8.17473 6.52753 -43.8522 6.52744 -16.2185 GPRESSAVG: 4000000 0.773551 -79.0057 -44.9554 -79.4098 9.33455 8.34797 -44.6028 4.68969 -18.1674 TIMING: 4000000 CPU: 12029.9, 0.00298293/step Wall: 12029.9, 0.00298293/step, 0.828591 hours remaining, 210.519531 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: 4000000 773.0505 2048.7912 1935.9698 117.0395 -206242.0676 17759.3510 0.0000 0.0000 34228.3037 -149379.5617 298.9243 -183607.8654 -149283.7257 298.9655 -101.2063 -69.0176 557917.9649 -2.6380 -2.6864 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4000000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 4000000 WRITING COORDINATES TO RESTART FILE AT STEP 4000000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4000200 -119.352 231.044 69.2444 231.044 28.1316 18.5536 69.2437 18.553 -24.1126 GPRESSURE: 4000200 -56.3095 222.433 71.4606 214.236 56.534 90.4601 105.81 -32.6355 -28.9752 PRESSAVG: 4000200 -20.7234 -4.43888 -71.5108 -4.43886 -45.2988 -36.7091 -71.5108 -36.7091 55.1089 GPRESSAVG: 4000200 -21.7445 -5.53393 -68.9447 -4.19804 -44.4608 -37.3082 -73.2545 -35.4468 55.7415 TIMING: 4000200 CPU: 12030.5, 0.00304525/step Wall: 12030.5, 0.00304525/step, 0.845733 hours remaining, 210.519531 MB of memory in use. ENERGY: 4000200 757.1927 2010.8621 1956.1081 110.2375 -206322.3254 17906.8914 0.0000 0.0000 34288.8987 -149292.1350 299.4535 -183581.0337 -149199.5618 298.8781 -38.4445 -9.5835 559205.3638 -3.6378 -3.4880 LDB: ============= START OF LOAD BALANCING ============== 12034 LDB: ============== END OF LOAD BALANCING =============== 12034 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12034 LDB: ============= START OF LOAD BALANCING ============== 12034.3 LDB: Largest compute 4773 load 0.027862 is 23.6% of average load 0.118193 LDB: Average compute 0.001729 is 1.5% of average load 0.118193 LDB: TIME 12034.3 LOAD: AVG 0.118193 MAX 0.209119 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.027 MB LDB: TIME 12034.3 LOAD: AVG 0.118193 MAX 0.209119 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.086 MB LDB: TIME 12034.3 LOAD: AVG 0.118193 MAX 0.209119 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.086 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12034.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12034.3 PRESSURE: 4000400 -168.313 -7.31829 186.505 -7.31854 78.638 61.7461 186.505 61.7455 -88.2352 GPRESSURE: 4000400 -104.113 60.5634 137.387 -34.0818 111.421 56.153 215.749 18.4469 -74.4239 PRESSAVG: 4000400 -39.326 31.1922 -25.3798 31.1921 9.40087 7.70444 -25.3798 7.70442 56.2506 GPRESSAVG: 4000400 -37.7854 32.3774 -24.7854 30.6295 8.53158 6.43479 -24.1393 8.73772 55.2424 TIMING: 4000400 CPU: 12031.1, 0.00300629/step Wall: 12031.1, 0.00300629/step, 0.834747 hours remaining, 209.828125 MB of memory in use. ENERGY: 4000400 760.2873 2036.1372 1957.8337 117.4076 -206167.5596 17867.3211 0.0000 0.0000 34253.8154 -149174.7573 299.1471 -183428.5727 -149083.0092 299.4895 -59.3034 -22.3721 557857.1180 8.7752 8.6629 PRESSURE: 4000600 99.8327 308.359 -57.5738 308.36 -21.0301 14.9267 -57.5751 14.927 251.889 GPRESSURE: 4000600 161.618 351.229 -36.9069 214.058 18.4562 -21.1403 -75.4213 -13.0894 242.16 PRESSAVG: 4000600 -0.893586 20.2744 63.6905 20.2743 15.5502 12.4786 63.6905 12.4787 -23.1021 GPRESSAVG: 4000600 -0.713742 18.404 61.0135 23.6366 15.2472 14.4807 65.0952 10.4044 -22.6671 TIMING: 4000600 CPU: 12031.7, 0.00296772/step Wall: 12031.7, 0.00296772/step, 0.823871 hours remaining, 210.289062 MB of memory in use. ENERGY: 4000600 721.3002 2077.2647 1937.0520 109.6394 -206359.8609 18075.6031 0.0000 0.0000 34216.0666 -149222.9349 298.8174 -183439.0015 -149117.2832 298.8410 110.2304 140.7446 557673.4953 -2.8151 -2.7112 PRESSURE: 4000800 89.3538 81.0629 58.8674 81.0632 3.97027 1.63733 58.8672 1.63668 51.9285 GPRESSURE: 4000800 97.0125 84.6971 40.7336 47.7281 57.5035 -3.23435 104.933 13.1833 80.2518 PRESSAVG: 4000800 -32.383 41.1013 19.5085 41.1012 11.0083 68.2081 19.5086 68.2081 39.9009 GPRESSAVG: 4000800 -32.6316 44.4339 19.6823 36.9654 10.9349 65.3345 18.1239 69.9918 40.2631 TIMING: 4000800 CPU: 12032.3, 0.00296815/step Wall: 12032.3, 0.00296815/step, 0.823827 hours remaining, 210.289062 MB of memory in use. ENERGY: 4000800 732.7821 2066.4303 1927.1063 115.9064 -206028.6585 17865.8031 0.0000 0.0000 34206.6683 -149113.9620 298.7353 -183320.6302 -149019.2193 299.4038 48.4175 78.2559 558260.3519 6.1754 6.1888 PRESSURE: 4001000 -199.051 49.447 -44.3203 49.4474 -40.8833 63.8415 -44.3198 63.842 -250.917 GPRESSURE: 4001000 -170.826 -3.16141 13.0913 151.657 -39.0076 -4.24541 14.5676 154.909 -180.558 PRESSAVG: 4001000 -59.7242 14.6465 -5.09812 14.6465 -33.124 25.5975 -5.09818 25.5975 50.9738 GPRESSAVG: 4001000 -59.4335 12.6914 -5.34315 18.0356 -33.043 25.5492 -3.5292 24.3011 50.7259 TIMING: 4001000 CPU: 12032.8, 0.00298557/step Wall: 12032.8, 0.00298557/step, 0.828497 hours remaining, 210.289062 MB of memory in use. ENERGY: 4001000 768.3546 2017.7592 1940.3665 114.7735 -205692.0279 17573.0590 0.0000 0.0000 34260.4819 -149017.2333 299.2053 -183277.7151 -148921.2414 299.3032 -163.6170 -130.1306 558332.5297 -13.9581 -13.9169 PRESSURE: 4001200 52.5984 -19.5274 106.864 -19.5283 -94.1256 37.3349 106.865 37.3347 -12.8907 GPRESSURE: 4001200 67.0694 -30.9878 97.9287 -16.7836 -27.6586 98.3382 134.297 -109.467 14.8124 PRESSAVG: 4001200 -68.3557 77.7504 31.0531 77.7503 16.1793 38.5313 31.0531 38.5313 58.7706 GPRESSAVG: 4001200 -69.7406 78.4275 30.1011 75.4968 17.6256 40.2653 31.7017 39.741 58.6191 TIMING: 4001200 CPU: 12033.5, 0.00301457/step Wall: 12033.5, 0.00301457/step, 0.836376 hours remaining, 210.289062 MB of memory in use. ENERGY: 4001200 776.7374 2084.1484 1917.5311 112.8641 -206180.2655 17901.9724 0.0000 0.0000 34330.2119 -149056.8003 299.8143 -183387.0122 -148958.0914 299.9835 -18.1393 18.0744 558882.6066 2.1981 2.1680 PRESSURE: 4001400 -36.0064 -22.9695 89.1516 -22.9699 -36.909 285.292 89.1524 285.293 -148.342 GPRESSURE: 4001400 -18.5444 -58.5546 56.5806 20.9133 -0.436909 288.37 151.463 248.307 -101.635 PRESSAVG: 4001400 -14.6582 2.46841 48.6144 2.46841 7.87191 -12.908 48.6145 -12.9079 -18.0225 GPRESSAVG: 4001400 -13.5345 1.43693 49.3864 4.14843 6.68607 -14.0864 45.7554 -13.2412 -17.9299 TIMING: 4001400 CPU: 12034.1, 0.00299239/step Wall: 12034.1, 0.00299239/step, 0.830057 hours remaining, 210.289062 MB of memory in use. ENERGY: 4001400 756.7269 2060.7161 1943.4284 119.8544 -206371.2427 17976.5862 0.0000 0.0000 34458.1012 -149055.8296 300.9312 -183513.9308 -148967.7644 299.2527 -73.7525 -40.2054 559284.2141 -8.2696 -8.2595 PRESSURE: 4001600 54.1015 -35.9379 120.322 -35.9387 -44.7403 47.2375 120.321 47.2379 73.986 GPRESSURE: 4001600 97.0917 -90.6785 124.691 57.8217 -26.2871 1.76063 160.094 75.0672 113.266 PRESSAVG: 4001600 -5.30969 5.28209 -13.7079 5.28199 60.2721 4.86763 -13.7079 4.86766 -51.0801 GPRESSAVG: 4001600 -4.05471 5.64249 -13.5676 6.45874 59.2576 3.39246 -12.2811 5.95337 -51.4455 TIMING: 4001600 CPU: 12034.6, 0.00296886/step Wall: 12034.6, 0.00296886/step, 0.823364 hours remaining, 210.289062 MB of memory in use. ENERGY: 4001600 704.8717 2125.6729 1939.7750 119.4604 -206078.9711 17822.9461 0.0000 0.0000 34323.8274 -149042.4176 299.7585 -183366.2450 -148943.3649 300.3631 27.7824 61.3569 558949.6581 1.2941 1.2525 PRESSURE: 4001800 109.875 66.9663 -55.6079 66.9664 62.4002 23.5088 -55.6071 23.5098 -31.5283 GPRESSURE: 4001800 175.446 70.7191 -149.572 72.3732 92.1529 -50.8929 -40.0395 -14.6314 -34.1175 PRESSAVG: 4001800 8.91326 -4.6887 15.7963 -4.68873 51.9051 20.7688 15.7963 20.7689 -33.7898 GPRESSAVG: 4001800 7.24432 -3.26527 14.3197 -7.32801 52.4066 22.8925 17.1435 20.401 -32.6178 TIMING: 4001800 CPU: 12035.2, 0.0029745/step Wall: 12035.2, 0.0029745/step, 0.824763 hours remaining, 210.289062 MB of memory in use. ENERGY: 4001800 770.2264 2053.7289 1952.5217 115.6133 -206225.3875 17924.5918 0.0000 0.0000 34407.8614 -149000.8440 300.4924 -183408.7054 -148909.7022 300.2331 46.9155 77.8272 557682.5782 9.0095 9.0110 PRESSURE: 4002000 -263.819 106.121 154.329 106.121 24.7187 -41.8338 154.329 -41.835 -156.686 GPRESSURE: 4002000 -235.396 71.6553 177.674 132.5 71.416 -53.8328 140.381 -20.9211 -127.618 PRESSAVG: 4002000 -14.8356 8.10929 -7.42125 8.10922 8.62169 -37.1267 -7.42129 -37.1266 -49.8672 GPRESSAVG: 4002000 -15.0347 7.11453 -5.7095 10.0393 9.2053 -36.6746 -8.89627 -38.4191 -50.1981 TIMING: 4002000 CPU: 12035.8, 0.00297725/step Wall: 12035.8, 0.00297725/step, 0.82536 hours remaining, 210.289062 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: 4002000 759.5683 2077.5749 1918.7601 116.8449 -205932.5741 17620.6453 0.0000 0.0000 34423.8875 -149015.2931 300.6324 -183439.1807 -148915.0408 299.5106 -131.9290 -97.1996 557261.4598 -18.6937 -18.6758 PRESSURE: 4002200 -353.926 -219.134 -35.1959 -219.133 17.4062 73.5673 -35.1949 73.5667 -9.5227 GPRESSURE: 4002200 -320.448 -211.304 -50.1422 -182.497 34.4765 161.772 -24.0484 -79.3856 37.6049 PRESSAVG: 4002200 -43.8776 6.14586 48.8428 6.14594 58.15 -25.452 48.8429 -25.452 -4.01927 GPRESSAVG: 4002200 -43.2828 7.8319 48.705 6.45676 57.6622 -25.4743 49.283 -25.8951 -4.1932 TIMING: 4002200 CPU: 12036.4, 0.00294973/step Wall: 12036.4, 0.00294973/step, 0.817566 hours remaining, 210.289062 MB of memory in use. ENERGY: 4002200 755.4608 2051.0215 1944.5355 105.0954 -205865.0200 17563.0564 0.0000 0.0000 34263.9687 -149181.8817 299.2358 -183445.8504 -149091.4291 299.9697 -115.3476 -82.7889 559098.5446 3.4177 3.3954 PRESSURE: 4002400 42.5403 18.1735 133.825 18.1737 49.7496 56.0026 133.825 56.0032 139.801 GPRESSURE: 4002400 119.908 -33.6368 30.1546 32.2263 105.72 58.557 112.199 119.05 106.825 PRESSAVG: 4002400 53.9908 -43.7298 41.224 -43.7299 -22.0505 7.52581 41.2239 7.52587 -55.9496 GPRESSAVG: 4002400 54.3011 -46.6844 39.9993 -44.5113 -21.8395 6.30002 40.3255 9.74011 -56.6929 TIMING: 4002400 CPU: 12037, 0.00297903/step Wall: 12037, 0.00297903/step, 0.825523 hours remaining, 210.289062 MB of memory in use. ENERGY: 4002400 692.5295 2007.5369 1933.5471 111.3645 -206229.3089 17920.1935 0.0000 0.0000 34385.5728 -149178.5646 300.2978 -183564.1374 -149081.1567 298.7511 77.3635 110.8179 558764.9249 -8.0031 -8.0771 PRESSURE: 4002600 -114.592 -16.7427 168.115 -16.7432 121.597 -89.6122 168.115 -89.6112 -238.136 GPRESSURE: 4002600 -95.7434 5.36834 208.107 46.6636 94.5423 -121.58 114.799 -53.5014 -152.08 PRESSAVG: 4002600 -10.9393 -7.79945 61.3049 -7.7995 49.1644 -20.6535 61.3049 -20.6535 17.0238 GPRESSAVG: 4002600 -11.7322 -6.48231 63.2649 -8.23838 48.7447 -19.5656 62.7753 -23.2328 18.0369 TIMING: 4002600 CPU: 12037.6, 0.00298504/step Wall: 12037.6, 0.00298504/step, 0.827021 hours remaining, 210.289062 MB of memory in use. ENERGY: 4002600 712.6182 2073.1340 1951.5635 116.8522 -206160.6341 17818.7681 0.0000 0.0000 34330.1217 -149157.5763 299.8135 -183487.6979 -149062.0046 300.1857 -77.0435 -51.0936 558965.2884 18.4163 18.3498 PRESSURE: 4002800 -12.1574 7.32451 12.7091 7.32433 52.8584 -104.237 12.7086 -104.239 4.23849 GPRESSURE: 4002800 27.3631 -27.6049 55.0002 19.222 141.371 -65.6005 6.04813 -167.37 -36.31 PRESSAVG: 4002800 2.53004 -3.91888 65.38 -3.91889 47.244 56.4491 65.38 56.449 -50.1146 GPRESSAVG: 4002800 1.97714 -2.78174 64.6077 -3.15376 47.203 57.1441 64.2588 56.844 -49.793 TIMING: 4002800 CPU: 12038.2, 0.00296113/step Wall: 12038.2, 0.00296113/step, 0.820232 hours remaining, 210.289062 MB of memory in use. ENERGY: 4002800 723.4649 2048.3357 1950.1108 112.7432 -206042.0463 17795.0134 0.0000 0.0000 34209.0995 -149203.2788 298.7566 -183412.3783 -149105.1799 299.4167 14.9798 44.1414 558260.5609 -0.1135 -0.2043 PRESSURE: 4003000 275.747 33.7711 -97.9216 33.7717 121.304 -156.658 -97.9211 -156.659 -27.8453 GPRESSURE: 4003000 254.038 6.32977 -57.8366 44.1597 143.664 -174.062 -70.4071 -92.7914 54.0717 PRESSAVG: 4003000 7.54854 20.2253 22.5201 20.2253 -6.2056 -18.115 22.5202 -18.115 20.4835 GPRESSAVG: 4003000 6.84172 16.4819 21.9242 20.2591 -5.87502 -19.3733 21.1829 -16.8846 20.2861 TIMING: 4003000 CPU: 12038.8, 0.0029669/step Wall: 12038.8, 0.0029669/step, 0.821668 hours remaining, 210.289062 MB of memory in use. ENERGY: 4003000 690.9305 2108.5298 1927.3742 116.0271 -206060.6221 17872.8350 0.0000 0.0000 34161.6751 -149183.2504 298.3424 -183344.9255 -149089.8604 299.4086 123.0686 150.5912 557535.4647 7.2755 7.0843 PRESSURE: 4003200 -135.674 52.5393 -44.0931 52.5396 -180.961 -22.6045 -44.0931 -22.6039 176.595 GPRESSURE: 4003200 -122.624 73.25 -45.6205 -7.15665 -141.817 -76.1951 -44.7462 -4.38032 226.643 PRESSAVG: 4003200 -16.8225 -39.2466 -36.2108 -39.2467 -36.1014 -15.5051 -36.2109 -15.5051 36.3921 GPRESSAVG: 4003200 -14.822 -38.5517 -35.458 -38.7711 -35.5314 -13.7802 -35.5663 -16.3002 34.6595 TIMING: 4003200 CPU: 12039.4, 0.00296812/step Wall: 12039.4, 0.00296812/step, 0.82184 hours remaining, 210.492188 MB of memory in use. ENERGY: 4003200 764.4761 2078.5901 1929.3768 113.9668 -206255.0567 17745.8811 0.0000 0.0000 34568.6086 -149054.1571 301.8963 -183622.7657 -148959.4750 299.5884 -46.6800 -12.5996 556296.7351 -5.5106 -5.2313 PRESSURE: 4003400 -93.0467 120.894 -75.8565 120.895 -187.869 -45.0649 -75.856 -45.064 -448.826 GPRESSURE: 4003400 -48.478 183.673 -116.84 119.03 -197.798 -115.017 -75.6404 -11.103 -384.445 PRESSAVG: 4003400 -105.103 6.79455 -35.8534 6.79466 69.7296 3.04681 -35.8535 3.04672 -16.8783 GPRESSAVG: 4003400 -104.365 8.88939 -36.0635 5.82121 67.8787 0.933869 -34.5797 3.81913 -15.7144 TIMING: 4003400 CPU: 12040, 0.00296595/step Wall: 12040, 0.00296595/step, 0.821073 hours remaining, 210.492188 MB of memory in use. ENERGY: 4003400 738.6539 2073.6855 1939.2159 107.5186 -205687.7584 17286.5231 0.0000 0.0000 34527.3481 -149014.8133 301.5359 -183542.1614 -148909.8839 300.1034 -243.2472 -210.2407 556912.1115 -17.4173 -17.4001 PRESSURE: 4003600 -369.699 -39.4912 -52.0175 -39.4917 -494.343 157.757 -52.0181 157.757 45.7602 GPRESSURE: 4003600 -308.314 49.7787 -116.802 -135.846 -524.459 166.087 -31.234 38.9697 113.697 PRESSAVG: 4003600 13.5648 51.908 27.1025 51.9079 -51.5223 -17.4133 27.1024 -17.4134 14.1081 GPRESSAVG: 4003600 12.7238 53.2306 26.5178 50.0963 -50.5888 -15.7473 26.9638 -18.6312 13.9084 TIMING: 4003600 CPU: 12040.6, 0.00298903/step Wall: 12040.6, 0.00298903/step, 0.827297 hours remaining, 210.492188 MB of memory in use. ENERGY: 4003600 756.6257 2028.7849 1927.7404 128.2341 -205634.6853 17399.8849 0.0000 0.0000 34448.7580 -148944.6572 300.8496 -183393.4152 -148843.4141 300.2347 -272.7606 -239.6918 557057.7676 -7.9498 -7.9855 PRESSURE: 4003800 36.2718 127.795 62.4153 127.796 -207.47 117.065 62.4143 117.066 -249.526 GPRESSURE: 4003800 46.6113 141.844 -6.19458 132.001 -154.332 95.1454 100.566 76.5078 -212.213 PRESSAVG: 4003800 56.5402 -10.4979 15.6051 -10.4979 -27.9284 18.1865 15.6051 18.1865 37.6004 GPRESSAVG: 4003800 55.7714 -12.3038 13.8898 -10.6576 -26.2839 17.4464 16.2486 20.4074 36.6359 TIMING: 4003800 CPU: 12041.2, 0.00300448/step Wall: 12041.2, 0.00300448/step, 0.831406 hours remaining, 210.492188 MB of memory in use. ENERGY: 4003800 737.9952 2048.3588 1932.0766 106.7014 -205738.5179 17578.4009 0.0000 0.0000 34277.4248 -149057.5603 299.3533 -183334.9851 -148954.4037 300.1329 -140.2414 -106.6444 557686.7997 22.0707 22.0412 PRESSURE: 4004000 416.096 5.29307 202.807 5.29317 76.7529 87.3816 202.806 87.3817 -263.44 GPRESSURE: 4004000 482.698 -15.8613 163.905 74.2997 38.4383 110.57 251.809 109.18 -182.117 PRESSAVG: 4004000 87.5616 12.7235 37.9836 12.7235 -62.4587 1.19 37.9835 1.19005 -27.9183 GPRESSAVG: 4004000 89.2975 12.3074 41.9092 14.6522 -63.673 0.932665 35.5497 -0.852414 -27.7537 TIMING: 4004000 CPU: 12041.8, 0.00299378/step Wall: 12041.8, 0.00299378/step, 0.82828 hours remaining, 210.492188 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: 4004000 784.5202 2114.9743 1916.3488 104.5745 -206513.7817 18028.7432 0.0000 0.0000 34494.8426 -149069.7781 301.2520 -183564.6207 -148976.6460 300.1413 76.4696 113.0063 555602.1086 -0.9385 -0.7097 PRESSURE: 4004200 -61.0716 9.66525 102.267 9.66559 -131.656 -39.3819 102.266 -39.3828 -30.082 GPRESSURE: 4004200 -22.5784 18.7517 110.31 92.7507 -103.317 -56.2124 109.61 -70.1436 -0.93294 PRESSAVG: 4004200 32.9076 8.2609 48.1052 8.26086 -31.3651 -16.4105 48.1052 -16.4104 9.80209 GPRESSAVG: 4004200 32.5805 9.70888 46.1878 8.44978 -32.1643 -16.7217 49.4726 -14.9878 10.6917 TIMING: 4004200 CPU: 12042.4, 0.00298911/step Wall: 12042.4, 0.00298911/step, 0.826821 hours remaining, 210.492188 MB of memory in use. ENERGY: 4004200 723.7185 2096.9431 1942.2895 105.6390 -206090.9048 17663.9015 0.0000 0.0000 34273.8317 -149284.5815 299.3219 -183558.4132 -149192.8715 299.6280 -74.2700 -42.2761 557183.2395 3.7815 3.7026 LDB: ============= START OF LOAD BALANCING ============== 12045.9 LDB: ============== END OF LOAD BALANCING =============== 12045.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12045.9 LDB: ============= START OF LOAD BALANCING ============== 12046.2 LDB: Largest compute 4773 load 0.027910 is 23.6% of average load 0.118202 LDB: Average compute 0.001725 is 1.5% of average load 0.118202 LDB: TIME 12046.2 LOAD: AVG 0.118202 MAX 0.211096 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.43 MB LDB: TIME 12046.2 LOAD: AVG 0.118202 MAX 0.211096 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.633 MB LDB: TIME 12046.2 LOAD: AVG 0.118202 MAX 0.211096 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.633 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12046.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12046.2 PRESSURE: 4004400 -243.209 -20.4087 -1.15432 -20.4087 136.737 -74.384 -1.15509 -74.3839 -121.51 GPRESSURE: 4004400 -185.566 -65.0987 -67.3272 39.1012 148.491 25.7539 21.04 -105.375 -85.9501 PRESSAVG: 4004400 -39.1315 17.6262 -7.83902 17.6262 -11.6105 56.6953 -7.8391 56.6952 15.6582 GPRESSAVG: 4004400 -40.002 16.6683 -8.34277 16.637 -10.0515 58.3058 -7.69223 53.886 15.3409 TIMING: 4004400 CPU: 12043, 0.00305102/step Wall: 12043, 0.00305102/step, 0.843777 hours remaining, 209.769531 MB of memory in use. ENERGY: 4004400 732.8184 2036.8944 1951.7143 108.2628 -205820.3933 17511.4533 0.0000 0.0000 34213.9614 -149265.2888 298.7990 -183479.2502 -149162.3667 299.0182 -75.9942 -41.0085 557769.0680 -11.6946 -11.5709 PRESSURE: 4004600 22.9504 90.7284 180.797 90.7288 -65.2087 14.8606 180.798 14.8595 -69.5576 GPRESSURE: 4004600 74.7748 140.474 214.294 42.1472 -136.019 65.6776 174.316 -22.6515 48.604 PRESSAVG: 4004600 -31.087 -44.0511 82.7277 -44.0511 10.3218 19.4728 82.7278 19.4728 -2.73466 GPRESSAVG: 4004600 -31.6588 -42.5563 83.1287 -43.8029 9.73967 18.719 82.4905 20.9052 -1.72657 TIMING: 4004600 CPU: 12043.6, 0.00299959/step Wall: 12043.6, 0.00299959/step, 0.829388 hours remaining, 209.972656 MB of memory in use. ENERGY: 4004600 747.1018 2043.1542 1951.6738 119.0057 -206053.9213 17703.9805 0.0000 0.0000 34329.4005 -149159.6048 299.8072 -183489.0053 -149066.5836 299.0030 -37.2719 -4.2133 557632.5475 -7.8333 -7.8819 PRESSURE: 4004800 -91.9412 -36.3725 84.8302 -36.3731 53.7343 -40.7111 84.8298 -40.7104 130.906 GPRESSURE: 4004800 -42.5019 -45.5121 128.663 3.99444 94.0951 -102.865 123.185 -41.2133 133.694 PRESSAVG: 4004800 0.310067 9.88406 19.7895 9.88411 18.2311 64.4553 19.7895 64.4552 -19.5648 GPRESSAVG: 4004800 0.45286 9.53772 20.6091 8.91159 17.1997 64.4238 18.1214 64.6046 -18.508 TIMING: 4004800 CPU: 12044.2, 0.0030293/step Wall: 12044.2, 0.0030293/step, 0.837433 hours remaining, 209.972656 MB of memory in use. ENERGY: 4004800 745.7361 2076.5985 1949.2021 111.4570 -206231.8373 17760.0885 0.0000 0.0000 34425.0960 -149163.6591 300.6429 -183588.7551 -149060.9777 299.6746 30.8996 61.7624 556664.1186 -0.3412 -0.2851 PRESSURE: 4005000 -36.4402 -5.41319 -5.37398 -5.41288 -56.7772 -58.9157 -5.37453 -58.9161 97.8668 GPRESSURE: 4005000 -16.0595 40.4848 -9.92875 -78.4425 -6.44055 -25.2647 -26.7704 -110.158 121.637 PRESSAVG: 4005000 -15.6618 7.64625 25.6373 7.64624 41.2401 -38.4206 25.6372 -38.4207 27.0318 GPRESSAVG: 4005000 -15.5158 6.88403 24.0266 7.04878 41.5084 -40.203 26.4908 -35.5762 26.0095 TIMING: 4005000 CPU: 12044.8, 0.00296983/step Wall: 12044.8, 0.00296983/step, 0.820828 hours remaining, 209.972656 MB of memory in use. ENERGY: 4005000 722.6349 2084.5370 1944.6626 104.5673 -205769.7577 17722.8352 0.0000 0.0000 34138.4889 -149052.0318 298.1399 -183190.5207 -148954.0116 299.3503 1.5498 33.0456 558286.6331 17.5367 17.3341 PRESSURE: 4005200 54.9262 -47.0907 15.9616 -47.0902 -110.484 -146.422 15.9613 -146.42 139.805 GPRESSURE: 4005200 101.649 -72.0859 -3.83068 -105.847 -97.762 -146.26 66.633 -189.337 186.77 PRESSAVG: 4005200 -4.83922 26.0376 1.06419 26.0376 -28.9933 76.5135 1.06421 76.5135 -13.4664 GPRESSAVG: 4005200 -5.12949 27.3533 0.682521 25.928 -28.13 78.1483 0.77669 74.32 -13.5507 TIMING: 4005200 CPU: 12045.4, 0.00296704/step Wall: 12045.4, 0.00296704/step, 0.819892 hours remaining, 209.972656 MB of memory in use. ENERGY: 4005200 723.4470 2116.7109 1963.4819 109.2943 -206226.8006 17941.8606 0.0000 0.0000 34306.1849 -149065.8211 299.6044 -183372.0060 -148965.5681 299.4959 28.0821 63.5523 558917.2853 -15.7663 -15.6034 PRESSURE: 4005400 108.5 -16.7353 -23.0147 -16.7345 -54.7613 227.056 -23.014 227.057 -38.5181 GPRESSURE: 4005400 81.9605 3.57865 16.8857 -0.675651 37.465 258.056 36.3076 198.391 2.58856 PRESSAVG: 4005400 31.1056 -20.1359 3.82886 -20.1359 31.4197 58.8764 3.82892 58.8764 15.0335 GPRESSAVG: 4005400 31.1831 -21.3222 3.16502 -17.8482 31.2325 60.023 7.26172 59.4445 15.4488 TIMING: 4005400 CPU: 12046, 0.002987/step Wall: 12046, 0.002987/step, 0.825242 hours remaining, 209.972656 MB of memory in use. ENERGY: 4005400 739.8855 2018.3574 1925.1534 112.6778 -205852.3228 17849.0811 0.0000 0.0000 34264.0155 -148943.1521 299.2362 -183207.1676 -148845.3015 300.1455 5.0737 40.6714 558596.8328 25.8529 25.9548 PRESSURE: 4005600 153.333 -87.0598 -117.059 -87.0587 -15.9056 -55.0223 -117.06 -55.0231 -143.867 GPRESSURE: 4005600 188.378 -54.3427 -61.497 -51.2184 -5.69935 -50.8767 -121.378 -38.8336 -82.7004 PRESSAVG: 4005600 -37.9513 -22.9401 21.9102 -22.9401 40.9717 25.8395 21.9102 25.8395 -3.94412 GPRESSAVG: 4005600 -37.0343 -22.6141 23.9869 -23.8798 39.9838 25.6857 18.7279 26.2744 -3.91209 TIMING: 4005600 CPU: 12046.6, 0.0029892/step Wall: 12046.6, 0.0029892/step, 0.825684 hours remaining, 209.972656 MB of memory in use. ENERGY: 4005600 732.7838 2023.5508 1964.8874 101.6670 -205959.8594 17828.9079 0.0000 0.0000 34287.0099 -149021.0527 299.4370 -183308.0626 -148926.2535 299.9312 -2.1467 33.3262 557362.6356 -0.3079 -0.3209 PRESSURE: 4005800 -173.49 -107.983 19.9091 -107.984 -270.268 45.7357 19.9084 45.7357 316.386 GPRESSURE: 4005800 -73.4428 -33.2504 42.7329 -141.369 -279.241 39.0561 -40.8555 56.4414 330.504 PRESSAVG: 4005800 22.6261 -71.4146 16.7865 -71.4145 -58.3655 -5.74102 16.7865 -5.74101 61.9454 GPRESSAVG: 4005800 21.6361 -69.8049 17.3409 -72.0304 -56.6892 -5.06725 16.4341 -7.48611 61.6056 TIMING: 4005800 CPU: 12047.2, 0.00299798/step Wall: 12047.2, 0.00299798/step, 0.827941 hours remaining, 209.972656 MB of memory in use. ENERGY: 4005800 754.1708 2033.2950 1962.5935 106.0437 -206204.1191 17931.3963 0.0000 0.0000 34407.0191 -149009.6007 300.4851 -183416.6198 -148911.4676 299.3665 -42.4575 -7.3933 557463.2932 8.7353 8.8508 PRESSURE: 4006000 -154.798 -34.7004 -91.16 -34.6999 -113.495 -8.10201 -91.16 -8.10241 18.9905 GPRESSURE: 4006000 -118.644 -56.6183 -92.1985 -46.8279 -78.3577 54.2186 -90.936 -26.0636 30.1741 PRESSAVG: 4006000 -20.9029 1.24032 5.07903 1.24037 -58.2395 27.165 5.07894 27.1649 51.2314 GPRESSAVG: 4006000 -19.6876 0.131815 3.30609 2.73698 -59.1095 26.6225 5.79626 27.857 50.7138 TIMING: 4006000 CPU: 12047.8, 0.00299624/step Wall: 12047.8, 0.00299624/step, 0.827295 hours remaining, 209.972656 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: 4006000 752.5577 2133.2945 1942.7683 113.0468 -205448.1115 17469.3915 0.0000 0.0000 34114.4222 -148922.6305 297.9297 -183037.0527 -148827.2819 300.0969 -83.1009 -55.6093 559389.1153 -9.3037 -9.3611 PRESSURE: 4006200 58.4413 151.157 -84.7779 151.158 -111.803 17.104 -84.7766 17.1053 -60.2372 GPRESSURE: 4006200 184.466 184.792 -88.5809 129.155 -148.22 -3.6237 -159.874 144.689 -43.38 PRESSAVG: 4006200 25.8858 37.9803 -19.8156 37.9803 5.00259 -20.2559 -19.8156 -20.2558 -1.5787 GPRESSAVG: 4006200 26.7467 41.2342 -20.2614 35.3011 3.05523 -20.15 -18.3967 -20.4515 -0.166392 TIMING: 4006200 CPU: 12048.4, 0.00299537/step Wall: 12048.4, 0.00299537/step, 0.826889 hours remaining, 209.972656 MB of memory in use. ENERGY: 4006200 736.4784 2078.8108 1920.3611 109.4033 -205903.0577 17738.3579 0.0000 0.0000 34304.1611 -149015.4852 299.5868 -183319.6462 -148909.2829 300.3606 -37.8662 -2.3782 559048.5510 9.7699 9.8785 PRESSURE: 4006400 254.463 40.5846 73.6515 40.5835 -84.1647 24.2149 73.6495 24.2162 -2.03508 GPRESSURE: 4006400 272.105 66.2181 141.475 -10.1524 14.2534 27.9706 156.722 0.459612 -23.7247 PRESSAVG: 4006400 15.9487 65.9866 7.47862 65.9866 -54.1969 -2.21022 7.47852 -2.21019 28.3516 GPRESSAVG: 4006400 14.5313 63.2811 9.89013 66.5857 -50.7173 -2.59782 5.06155 -1.76231 26.9779 TIMING: 4006400 CPU: 12049, 0.00297362/step Wall: 12049, 0.00297362/step, 0.82072 hours remaining, 209.972656 MB of memory in use. ENERGY: 4006400 758.5235 2118.4358 1927.1847 117.9459 -206146.1064 17891.4329 0.0000 0.0000 34245.3341 -149087.2495 299.0730 -183332.5836 -148989.3549 299.2119 56.0879 87.5445 559341.7963 -3.2989 -3.0694 PRESSURE: 4006600 227.127 194.411 -46.3732 194.41 65.8108 -11.0753 -46.3731 -11.0747 89.1269 GPRESSURE: 4006600 273.485 151.266 -109.827 250.232 167.402 -41.6138 -11.4874 105.556 58.9312 PRESSAVG: 4006600 15.1464 71.1885 30.8016 71.1885 15.5575 -20.682 30.8016 -20.6821 -17.794 GPRESSAVG: 4006600 14.7954 69.8474 29.3215 72.1804 14.4347 -23.4957 30.7097 -19.9991 -16.5135 TIMING: 4006600 CPU: 12049.6, 0.00295609/step Wall: 12049.6, 0.00295609/step, 0.815717 hours remaining, 209.972656 MB of memory in use. ENERGY: 4006600 731.5481 2143.7877 1924.0402 105.3000 -205896.2145 17882.4734 0.0000 0.0000 33990.7180 -149118.3472 296.8494 -183109.0652 -149021.1504 299.5939 127.3548 166.6058 556803.0804 4.3033 4.2389 PRESSURE: 4006800 -166.89 62.4583 -16.9997 62.4581 92.4288 -160.414 -17.0001 -160.414 -261.107 GPRESSURE: 4006800 -148.126 49.3606 -54.0691 159.308 137.799 -248.51 111.578 -170.627 -219.694 PRESSAVG: 4006800 -1.22799 -21.7569 -49.7423 -21.7568 17.3617 -23.2899 -49.7424 -23.2898 -52.6779 GPRESSAVG: 4006800 -1.18801 -20.8433 -51.1744 -21.7445 16.9031 -22.0953 -47.5138 -22.8629 -52.6388 TIMING: 4006800 CPU: 12050.2, 0.00297037/step Wall: 12050.2, 0.00297037/step, 0.819492 hours remaining, 209.972656 MB of memory in use. ENERGY: 4006800 718.5424 2036.9211 1965.7260 108.1022 -205738.5621 17398.3370 0.0000 0.0000 34373.4016 -149137.5318 300.1915 -183510.9334 -149032.9109 298.9335 -111.8561 -76.6736 557651.6915 -12.1814 -12.3079 PRESSURE: 4007000 95.3437 198.525 62.6611 198.526 199.117 81.3841 62.6605 81.3838 160.94 GPRESSURE: 4007000 213.601 92.5535 97.6711 179.483 209.803 141.406 -24.9229 103.033 137.687 PRESSAVG: 4007000 -34.5963 41.1473 7.76417 41.1472 -0.320728 44.696 7.76412 44.696 -9.88567 GPRESSAVG: 4007000 -34.0402 40.9142 9.17974 41.5281 0.112987 45.8904 4.68761 45.6272 -11.0289 TIMING: 4007000 CPU: 12050.8, 0.00297568/step Wall: 12050.8, 0.00297568/step, 0.820792 hours remaining, 209.972656 MB of memory in use. ENERGY: 4007000 749.5329 2098.1300 1932.9191 98.1978 -206285.7243 17973.9401 0.0000 0.0000 34281.7375 -149151.2669 299.3909 -183433.0044 -149059.6544 299.0227 151.8001 187.0303 556278.2930 -14.9342 -14.9854 PRESSURE: 4007200 179.931 82.0132 183.18 82.0135 134.634 22.5936 183.179 22.5958 229.97 GPRESSURE: 4007200 209.984 100.058 175.277 50.4074 143.561 -3.5362 203.998 -85.1766 288.702 PRESSAVG: 4007200 -30.5259 60.3286 16.5437 60.3287 11.5134 8.5192 16.5436 8.51918 28.3973 GPRESSAVG: 4007200 -30.5014 61.0013 16.6366 57.6764 11.1756 7.77578 18.4295 7.28416 28.2853 TIMING: 4007200 CPU: 12051.4, 0.0029964/step Wall: 12051.4, 0.0029964/step, 0.826341 hours remaining, 209.972656 MB of memory in use. ENERGY: 4007200 720.8078 2066.0104 1929.7083 107.3301 -206404.8830 17981.9085 0.0000 0.0000 34363.1349 -149235.9830 300.1018 -183599.1179 -149140.1310 299.4840 181.5117 214.0823 557104.0674 3.1283 2.9865 PRESSURE: 4007400 256.218 -98.5142 -56.5331 -98.515 75.429 8.35234 -56.5331 8.35419 110.733 GPRESSURE: 4007400 268.739 -93.2446 -51.7375 -152.737 139.328 43.4685 29.4025 12.0132 136.173 PRESSAVG: 4007400 23.0753 12.418 2.283 12.4181 -11.8778 -7.49113 2.28293 -7.4911 -16.483 GPRESSAVG: 4007400 22.3013 11.9444 2.73267 12.8337 -11.7596 -6.69853 2.61327 -8.70429 -15.4936 TIMING: 4007400 CPU: 12052, 0.00302786/step Wall: 12052, 0.00302786/step, 0.834849 hours remaining, 209.972656 MB of memory in use. ENERGY: 4007400 704.0416 2103.8001 1972.2552 103.3938 -206057.4223 17810.0269 0.0000 0.0000 34139.1376 -149224.7672 298.1456 -183363.9048 -149119.9234 299.1743 147.4599 181.4133 557022.7875 -1.7618 -1.6506 PRESSURE: 4007600 -268.217 53.1607 130.758 53.1612 35.455 55.7887 130.758 55.7888 32.7938 GPRESSURE: 4007600 -247.414 64.8856 113.486 14.3405 56.0934 12.7883 88.19 109.216 83.8375 PRESSAVG: 4007600 21.4745 -18.0513 13.1774 -18.0513 0.374361 22.3606 13.1774 22.3605 2.45234 GPRESSAVG: 4007600 21.6089 -18.7469 13.2793 -17.4167 0.574509 22.5363 12.1241 22.482 1.67839 TIMING: 4007600 CPU: 12052.6, 0.00302597/step Wall: 12052.6, 0.00302597/step, 0.834158 hours remaining, 209.972656 MB of memory in use. ENERGY: 4007600 786.2631 2090.0410 1936.0431 115.3507 -206275.0210 17743.7539 0.0000 0.0000 34513.8552 -149089.7141 301.4181 -183603.5693 -148992.8468 299.4944 -66.6561 -35.8276 557421.8913 8.1004 7.9539 PRESSURE: 4007800 -199.336 -44.2085 36.9183 -44.2094 -64.6007 -67.2859 36.9206 -67.2848 -91.0794 GPRESSURE: 4007800 -130.748 -67.6933 51.9224 2.35631 -41.7395 -128.305 19.4123 -29.4241 -79.802 PRESSAVG: 4007800 36.8607 7.13456 -17.2241 7.13458 57.2045 -27.1188 -17.2242 -27.1188 -61.8013 GPRESSAVG: 4007800 37.7764 5.84526 -18.7875 7.21311 56.0193 -27.1063 -15.9796 -28.9646 -61.3026 TIMING: 4007800 CPU: 12053.2, 0.00301678/step Wall: 12053.2, 0.00301678/step, 0.831459 hours remaining, 209.972656 MB of memory in use. ENERGY: 4007800 742.5869 2175.4957 1916.9922 119.9856 -206076.8533 17672.2731 0.0000 0.0000 34275.9622 -149173.5576 299.3405 -183449.5198 -149078.6409 300.5919 -118.3386 -84.0966 559066.9896 10.7546 10.8310 PRESSURE: 4008000 -153.484 135.46 -146.814 135.459 -175.446 -35.657 -146.813 -35.6578 -268.493 GPRESSURE: 4008000 -127.764 59.8699 -114.535 228.149 -109.399 -5.05111 -71.3522 -98.9752 -253.769 PRESSAVG: 4008000 21.188 29.0601 -31.3942 29.06 -63.7033 -11.7998 -31.3941 -11.7998 17.7358 GPRESSAVG: 4008000 21.3878 30.4502 -30.5415 30.3894 -63.9507 -13.2502 -31.7597 -8.03822 17.6802 TIMING: 4008000 CPU: 12053.8, 0.00300162/step Wall: 12053.8, 0.00300162/step, 0.827112 hours remaining, 209.972656 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: 4008000 715.2341 2133.5347 1919.1411 105.6636 -205665.6921 17373.1671 0.0000 0.0000 34286.9593 -149131.9923 299.4365 -183418.9516 -149039.5350 299.6102 -199.1411 -163.6441 556890.8589 -8.2598 -8.2942 PRESSURE: 4008200 34.61 117.07 58.8938 117.069 -3.76724 -51.4238 58.8943 -51.4233 177.066 GPRESSURE: 4008200 74.7008 119.788 -17.2226 125.325 68.3071 -143.077 57.6788 120.531 154.615 PRESSAVG: 4008200 -18.5935 48.7678 -9.82514 48.7678 -37.5649 -86.9623 -9.82509 -86.9622 34.634 GPRESSAVG: 4008200 -19.4048 49.5288 -9.86245 46.811 -36.7022 -85.504 -9.71519 -90.1509 34.5711 TIMING: 4008200 CPU: 12054.4, 0.002974/step Wall: 12054.4, 0.002974/step, 0.819337 hours remaining, 209.972656 MB of memory in use. ENERGY: 4008200 729.7450 2061.4237 1938.2971 119.8248 -206424.3865 18028.2644 0.0000 0.0000 34252.3363 -149294.4952 299.1342 -183546.8315 -149198.1230 299.2668 69.3029 99.2078 557863.6980 -7.1748 -7.1786 LDB: ============= START OF LOAD BALANCING ============== 12057.9 LDB: ============== END OF LOAD BALANCING =============== 12057.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12057.9 LDB: ============= START OF LOAD BALANCING ============== 12058.2 LDB: Largest compute 4802 load 0.027671 is 23.4% of average load 0.118251 LDB: Average compute 0.001720 is 1.5% of average load 0.118251 LDB: TIME 12058.2 LOAD: AVG 0.118251 MAX 0.210322 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.25 MB LDB: TIME 12058.2 LOAD: AVG 0.118251 MAX 0.210322 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.254 MB LDB: TIME 12058.2 LOAD: AVG 0.118251 MAX 0.210322 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.254 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12058.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12058.2 PRESSURE: 4008400 -139.877 2.80415 -108.161 2.80394 -49.6713 167.499 -108.161 167.5 53.3754 GPRESSURE: 4008400 -98.6026 31.6778 18.5079 -44.5408 9.09173 248.796 -151.19 115.738 47.8795 PRESSAVG: 4008400 -13.7204 15.1571 -32.0565 15.157 11.9604 -32.7519 -32.0566 -32.7518 33.0961 GPRESSAVG: 4008400 -13.472 13.193 -32.3653 16.4553 11.2757 -31.8521 -33.2747 -31.4265 33.4935 TIMING: 4008400 CPU: 12055, 0.00304946/step Wall: 12055, 0.00304946/step, 0.839958 hours remaining, 209.089844 MB of memory in use. ENERGY: 4008400 686.9305 2140.2727 1943.7406 98.7436 -205898.1102 17691.0943 0.0000 0.0000 34088.9061 -149248.4224 297.7069 -183337.3285 -149149.8125 298.2589 -45.3911 -13.8771 559772.0297 10.4454 10.4324 PRESSURE: 4008600 -293.259 -80.1458 -251.066 -80.1453 -80.8092 -14.2109 -251.066 -14.2115 -197.814 GPRESSURE: 4008600 -293.419 -49.4315 -177.484 -107.467 -22.4425 -3.94694 -289.303 -2.05455 -164.1 PRESSAVG: 4008600 4.98387 21.0399 37.577 21.04 18.0989 41.6308 37.5771 41.6308 -32.7414 GPRESSAVG: 4008600 5.06366 21.3345 36.5979 20.9131 18.6629 40.0919 37.7792 41.3241 -33.0672 TIMING: 4008600 CPU: 12055.6, 0.00297375/step Wall: 12055.6, 0.00297375/step, 0.818937 hours remaining, 209.089844 MB of memory in use. ENERGY: 4008600 733.3093 2138.3653 1922.4343 121.8053 -205896.7794 17664.5890 0.0000 0.0000 34242.8338 -149073.4423 299.0512 -183316.2761 -148975.1483 298.6296 -190.6273 -159.9871 560881.5753 -3.2195 -3.1135 PRESSURE: 4008800 55.3342 166.567 115.016 166.567 -56.66 219.602 115.016 219.602 128.534 GPRESSURE: 4008800 140.652 129.917 100.6 181.695 -57.2493 159.408 122.833 172.654 148.456 PRESSAVG: 4008800 -41.4787 6.7893 17.4607 6.78921 58.6343 -24.1414 17.4607 -24.1413 -35.4442 GPRESSAVG: 4008800 -41.008 6.46398 19.6991 7.36341 57.6088 -22.4464 16.7544 -25.3573 -34.8232 TIMING: 4008800 CPU: 12056.2, 0.00298109/step Wall: 12056.2, 0.00298109/step, 0.820793 hours remaining, 209.289062 MB of memory in use. ENERGY: 4008800 699.4920 2073.7713 1941.3907 111.6161 -206175.7420 18060.7398 0.0000 0.0000 34134.2468 -149154.4854 298.1029 -183288.7322 -149055.9178 299.4707 42.4027 77.2862 560767.6699 -6.0962 -6.0741 PRESSURE: 4009000 -121.872 32.4579 14.6625 32.4586 -212.481 65.4719 14.6622 65.4735 -93.0117 GPRESSURE: 4009000 -83.2067 20.2733 88.5893 9.65826 -176.236 66.0681 -66.1737 85.0156 -57.6069 PRESSAVG: 4009000 -16.6748 -17.2913 -5.02178 -17.2913 20.4435 -7.86694 -5.02172 -7.8669 23.559 GPRESSAVG: 4009000 -17.1209 -15.8593 -5.42356 -19.78 21.9475 -8.70856 -6.09819 -7.97852 22.9376 TIMING: 4009000 CPU: 12056.8, 0.00297395/step Wall: 12056.8, 0.00297395/step, 0.818664 hours remaining, 209.289062 MB of memory in use. ENERGY: 4009000 725.1718 2078.9059 1929.1498 110.8013 -205754.2288 17680.0619 0.0000 0.0000 34125.1330 -149105.0050 298.0233 -183230.1380 -149004.2268 299.5113 -142.4550 -105.6831 559429.6001 9.1092 9.2548 PRESSURE: 4009200 -140.993 15.3421 -28.9931 15.3414 -164.611 11.0671 -28.9934 11.0667 -34.4053 GPRESSURE: 4009200 -145.704 33.8696 -61.6662 -68.6379 -99.4969 5.99043 15.1913 46.9852 8.36047 PRESSAVG: 4009200 -66.6401 20.6795 -5.38653 20.6795 43.2276 23.9709 -5.38657 23.971 19.0798 GPRESSAVG: 4009200 -65.8157 21.6942 -3.81502 18.8036 43.4366 23.6686 -4.23083 25.7181 17.4378 TIMING: 4009200 CPU: 12057.4, 0.00296587/step Wall: 12057.4, 0.00296587/step, 0.816273 hours remaining, 209.289062 MB of memory in use. ENERGY: 4009200 704.0013 2082.2878 1908.2532 118.2231 -206161.2575 17777.3085 0.0000 0.0000 34413.8513 -149157.3323 300.5447 -183571.1836 -149059.1377 299.4902 -113.3362 -78.9469 558805.6979 -1.4442 -1.6471 PRESSURE: 4009400 -58.9215 202.128 -69.0852 202.129 -220.103 8.20715 -69.0835 8.20699 31.8045 GPRESSURE: 4009400 -43.8762 145.213 -0.555701 248.23 -208.36 101.225 -71.8662 -8.69221 103.333 PRESSAVG: 4009400 -26.7853 0.693466 -31.1122 0.693569 -43.6834 47.3492 -31.112 47.3491 7.43232 GPRESSAVG: 4009400 -28.0728 -2.43624 -33.9682 4.86227 -43.6818 46.8662 -29.2421 47.2888 8.71421 TIMING: 4009400 CPU: 12057.9, 0.0029725/step Wall: 12057.9, 0.0029725/step, 0.817933 hours remaining, 209.289062 MB of memory in use. ENERGY: 4009400 730.3146 2128.9821 1927.6266 107.5314 -206000.4462 17660.5921 0.0000 0.0000 34232.9667 -149212.4327 298.9650 -183445.3994 -149116.4491 299.2580 -82.4067 -49.6343 558355.2539 -21.0121 -21.0135 PRESSURE: 4009600 152.448 -123.217 4.43755 -123.217 171.484 -58.0489 4.4381 -58.0479 -48.2362 GPRESSURE: 4009600 176.032 -136.934 20.8173 -142.435 255.766 -77.2613 -38.7212 -73.7816 -53.9916 PRESSAVG: 4009600 9.85111 18.9556 -10.0947 18.9557 44.0553 -53.1405 -10.0947 -53.1406 21.1173 GPRESSAVG: 4009600 10.3904 20.6896 -10.6171 19.1057 43.3247 -53.0445 -10.4939 -53.1942 20.9659 TIMING: 4009600 CPU: 12058.5, 0.00297632/step Wall: 12058.5, 0.00297632/step, 0.81882 hours remaining, 209.289062 MB of memory in use. ENERGY: 4009600 691.2294 2084.9168 1938.7968 111.1901 -206568.1403 18061.8428 0.0000 0.0000 34332.4395 -149347.7249 299.8337 -183680.1644 -149252.7415 299.3782 91.8986 125.9358 557314.8689 25.0079 24.8937 PRESSURE: 4009800 6.64618 44.5797 65.1904 44.5798 134.856 -21.7401 65.1893 -21.7396 -129.336 GPRESSURE: 4009800 56.4025 -71.2177 32.724 176.24 172.932 -38.7143 -6.02161 -86.7872 -123.977 PRESSAVG: 4009800 74.1059 32.8174 -20.7272 32.8174 -28.4585 -86.1001 -20.7272 -86.1001 -31.1099 GPRESSAVG: 4009800 73.1526 32.6453 -18.8853 32.1752 -28.5268 -85.2414 -21.6543 -87.9196 -30.607 TIMING: 4009800 CPU: 12059.1, 0.00300436/step Wall: 12059.1, 0.00300436/step, 0.826367 hours remaining, 209.289062 MB of memory in use. ENERGY: 4009800 741.2698 2068.6708 1946.5568 97.9575 -206351.6796 17926.5707 0.0000 0.0000 34159.2107 -149411.4433 298.3209 -183570.6540 -149310.7678 299.4547 4.0557 35.1192 557131.5541 4.8459 4.6729 PRESSURE: 4010000 -63.9412 -47.8838 59.422 -47.8831 4.99292 -119.162 59.4222 -119.161 207.217 GPRESSURE: 4010000 -56.9536 -39.7189 21.0806 -4.81067 66.4131 -106.284 114.462 -152.305 246.616 PRESSAVG: 4010000 71.9117 -15.8475 -17.7261 -15.8474 -48.2253 -44.74 -17.7261 -44.74 -28.9703 GPRESSAVG: 4010000 72.5775 -15.1257 -18.3854 -18.152 -47.3859 -44.5989 -16.5902 -43.052 -30.1421 TIMING: 4010000 CPU: 12059.7, 0.00301051/step Wall: 12059.7, 0.00301051/step, 0.827891 hours remaining, 209.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4010000 754.0792 2119.0091 1925.1330 112.7349 -206872.5543 18160.9135 0.0000 0.0000 34266.5944 -149534.0901 299.2587 -183800.6846 -149435.4337 298.2230 49.4228 85.3584 557122.6125 -1.7613 -1.6501 PRESSURE: 4010200 -229.105 -101.184 -60.9146 -101.184 -346.38 -153.22 -60.914 -153.221 -5.06915 GPRESSURE: 4010200 -188.571 -104.987 -13.8061 -157.557 -325.877 -182.744 -58.9863 -72.4355 17.3653 PRESSAVG: 4010200 -3.16706 -20.6092 3.42418 -20.6092 16.4988 33.5217 3.42426 33.5218 11.5612 GPRESSAVG: 4010200 -4.5681 -21.0796 4.38174 -18.8758 16.3777 33.4502 2.76533 32.8377 12.5745 TIMING: 4010200 CPU: 12060.3, 0.00299676/step Wall: 12060.3, 0.00299676/step, 0.823943 hours remaining, 209.289062 MB of memory in use. ENERGY: 4010200 815.4308 2117.6840 1932.3136 122.4811 -205998.9976 17593.0304 0.0000 0.0000 34198.1346 -149219.9231 298.6608 -183418.0577 -149126.4532 298.6741 -193.5180 -165.6943 557669.7700 8.2977 8.1280 PRESSURE: 4010400 16.7514 -106.434 72.3281 -106.435 90.0423 -82.62 72.3294 -82.6211 32.6419 GPRESSURE: 4010400 24.9199 -143.116 119.109 -100.334 98.8865 -2.19101 113.496 -38.4889 118.327 PRESSAVG: 4010400 -33.9205 -18.456 49.8999 -18.4561 5.47781 -40.7024 49.8999 -40.7026 4.19654 GPRESSAVG: 4010400 -33.3795 -18.574 50.4117 -18.259 5.02832 -40.9276 48.0622 -41.1196 3.88563 TIMING: 4010400 CPU: 12060.9, 0.00297704/step Wall: 12060.9, 0.00297704/step, 0.818355 hours remaining, 209.289062 MB of memory in use. ENERGY: 4010400 749.0191 2123.5877 1940.8827 118.4393 -205867.1978 17646.5097 0.0000 0.0000 34112.6849 -149176.0744 297.9146 -183288.7592 -149080.5319 299.1378 46.4785 80.7110 556505.3964 -8.0821 -8.1552 PRESSURE: 4010600 167.598 -43.9788 -68.6835 -43.9778 -17.0558 10.4271 -68.6834 10.4275 -65.4382 GPRESSURE: 4010600 245.808 -35.2982 9.91925 -5.12348 -16.6764 50.8822 -101.057 2.20297 -30.384 PRESSAVG: 4010600 -55.8807 -7.47245 -17.1281 -7.47239 35.5558 9.20094 -17.128 9.20077 13.0067 GPRESSAVG: 4010600 -56.5209 -6.71893 -16.8208 -8.76857 36.2417 9.72935 -16.6311 10.2437 13.076 TIMING: 4010600 CPU: 12061.5, 0.0029747/step Wall: 12061.5, 0.0029747/step, 0.817548 hours remaining, 209.289062 MB of memory in use. ENERGY: 4010600 737.6551 2105.3668 1936.1654 110.3141 -206235.8368 17761.3160 0.0000 0.0000 34435.7196 -149149.2998 300.7357 -183585.0194 -149055.6968 298.7730 28.3680 66.2492 556178.9643 -2.4394 -2.4010 PRESSURE: 4010800 -17.6661 -97.9224 -51.9017 -97.9227 246.211 24.4353 -51.9024 24.4349 -60.2108 GPRESSURE: 4010800 12.2266 -85.1023 -112.97 -106.112 259.054 -43.3345 62.1624 -20.5025 -14.1202 PRESSAVG: 4010800 -23.9566 6.34744 55.2724 6.34742 7.56413 -10.3268 55.2724 -10.3268 -1.45826 GPRESSAVG: 4010800 -23.0253 5.75639 55.7589 5.77927 7.16198 -12.3057 56.5016 -9.34542 -2.30941 TIMING: 4010800 CPU: 12062.1, 0.00296933/step Wall: 12062.1, 0.00296933/step, 0.815906 hours remaining, 209.289062 MB of memory in use. ENERGY: 4010800 726.5836 2087.7952 1949.7017 114.0966 -205736.3706 17645.9044 0.0000 0.0000 34171.1915 -149041.0975 298.4255 -183212.2890 -148951.3159 299.9303 56.1113 85.7201 556814.5649 -5.9502 -6.0576 PRESSURE: 4011000 -253.931 55.4923 186.622 55.4921 -77.855 -37.7448 186.622 -37.7468 -16.2714 GPRESSURE: 4011000 -152.534 77.2269 122.74 52.753 -95.9735 -18.1718 170.292 -73.9873 4.84812 PRESSAVG: 4011000 26.1634 24.8107 12.7567 24.8106 -21.1157 -4.71854 12.7567 -4.71856 41.876 GPRESSAVG: 4011000 26.6183 23.2357 11.3633 25.4703 -21.165 -1.64355 13.8332 -6.25331 41.7633 TIMING: 4011000 CPU: 12062.7, 0.00296914/step Wall: 12062.7, 0.00296914/step, 0.815688 hours remaining, 209.289062 MB of memory in use. ENERGY: 4011000 756.7376 2132.8776 1950.8619 105.1787 -205496.3614 17468.1267 0.0000 0.0000 34129.0674 -148953.5115 298.0576 -183082.5789 -148856.0726 299.4194 -116.0193 -81.2197 558029.1251 15.6412 15.7389 PRESSURE: 4011200 -5.70749 -15.2937 56.4907 -15.2948 -64.2354 -2.30835 56.491 -2.30701 -6.20072 GPRESSURE: 4011200 81.3383 17.5361 101.737 -40.0202 -82.1641 -46.9017 30.4201 76.5101 25.9242 PRESSAVG: 4011200 -77.4137 43.8179 -3.06672 43.8179 -13.9694 -85.9404 -3.06678 -85.9404 60.6047 GPRESSAVG: 4011200 -77.7732 44.1567 -0.657872 43.2789 -14.0136 -88.1163 -3.38962 -86.596 61.3935 TIMING: 4011200 CPU: 12063.3, 0.00296552/step Wall: 12063.3, 0.00296552/step, 0.814531 hours remaining, 209.289062 MB of memory in use. ENERGY: 4011200 732.6852 2058.7001 1934.8547 136.2811 -206050.0968 17849.5700 0.0000 0.0000 34240.4083 -149097.5974 299.0300 -183338.0057 -149001.6815 300.0375 -25.3812 8.3661 558811.1710 -10.2594 -10.1311 PRESSURE: 4011400 6.79999 -71.7905 -88.99 -71.7907 24.346 49.2541 -88.9892 49.2555 -121.553 GPRESSURE: 4011400 13.1066 -94.0931 -74.3067 -78.1683 116.498 -31.0653 -19.7485 20.9673 -125.555 PRESSAVG: 4011400 -7.93489 -17.8226 -19.4715 -17.8225 -35.0836 -25.5215 -19.4715 -25.5215 22.3084 GPRESSAVG: 4011400 -8.50294 -17.2401 -20.0121 -18.2005 -34.8691 -26.381 -20.6 -23.9627 22.6557 TIMING: 4011400 CPU: 12063.9, 0.00297423/step Wall: 12063.9, 0.00297423/step, 0.816755 hours remaining, 209.289062 MB of memory in use. ENERGY: 4011400 805.6228 2142.0841 1930.3517 111.4284 -206080.8095 17963.8857 0.0000 0.0000 34219.8504 -148907.5863 298.8505 -183127.4367 -148817.0607 299.2865 -30.1355 1.3499 558711.9974 -6.9034 -6.9054 PRESSURE: 4011600 75.4959 107.274 28.7416 107.275 -261.886 63.1304 28.742 63.1293 -312.151 GPRESSURE: 4011600 38.4537 200.041 99.3098 36.8831 -195.859 12.9458 34.5237 75.2677 -245.406 PRESSAVG: 4011600 -3.8621 19.238 -22.9552 19.2382 -6.79444 0.218022 -22.9552 0.218032 5.33381 GPRESSAVG: 4011600 -3.13725 20.0155 -23.2961 19.4737 -7.69554 1.22467 -23.4591 -0.736473 5.20371 TIMING: 4011600 CPU: 12064.5, 0.00297568/step Wall: 12064.5, 0.00297568/step, 0.81699 hours remaining, 209.289062 MB of memory in use. ENERGY: 4011600 762.4925 2079.4085 1933.1715 116.8168 -205593.9668 17545.0880 0.0000 0.0000 34297.4289 -148859.5606 299.5280 -183156.9895 -148757.9857 300.0031 -166.1803 -134.2704 559581.5591 -1.7742 -1.8764 PRESSURE: 4011800 -95.0277 -160.31 119.677 -160.31 -33.9713 236.329 119.678 236.328 35.5268 GPRESSURE: 4011800 -18.3395 -173.22 66.6249 -125.759 -15.3823 191.08 174.464 139.161 43.2417 PRESSAVG: 4011800 11.5548 -62.1669 12.2332 -62.1669 53.7211 -23.9317 12.2332 -23.9317 -35.5333 GPRESSAVG: 4011800 11.4599 -63.088 12.4831 -61.7642 54.5565 -22.6738 13.2592 -25.0919 -36.6894 TIMING: 4011800 CPU: 12065.1, 0.00301135/step Wall: 12065.1, 0.00301135/step, 0.826616 hours remaining, 209.289062 MB of memory in use. ENERGY: 4011800 784.8170 2054.6110 1944.1132 118.2758 -206012.7465 17885.6042 0.0000 0.0000 34229.4285 -148995.8967 298.9341 -183225.3252 -148903.2509 299.9626 -31.1574 3.1733 558749.1522 9.9142 9.7757 PRESSURE: 4012000 -216.977 45.6436 -54.5212 45.6437 -189.778 11.8745 -54.5202 11.8739 -147.391 GPRESSURE: 4012000 -172.117 106.851 -58.986 49.7339 -188.281 42.6959 -7.31277 38.97 -109.156 PRESSAVG: 4012000 12.2213 3.99154 -4.10493 3.99157 63.168 -8.05268 -4.10495 -8.05244 -81.326 GPRESSAVG: 4012000 11.9365 1.38709 -1.77381 7.16293 63.4188 -7.45742 -4.9653 -7.75255 -81.4657 TIMING: 4012000 CPU: 12065.7, 0.00297547/step Wall: 12065.7, 0.00297547/step, 0.816602 hours remaining, 209.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4012000 720.4622 2118.2189 1936.3051 114.0822 -205587.6539 17475.3305 0.0000 0.0000 34102.7649 -149120.4901 297.8279 -183223.2550 -149026.5377 299.2944 -184.7152 -156.5182 557394.6733 -1.9789 -2.0368 PRESSURE: 4012200 -133.442 -31.6561 -176.038 -31.6555 -34.7484 16.8735 -176.039 16.8749 373.451 GPRESSURE: 4012200 0.82892 -6.92795 -110.637 -45.8541 -47.8541 -66.2905 -228.933 44.6875 349.602 PRESSAVG: 4012200 83.107 -35.5995 8.81498 -35.5995 -5.1251 -12.4336 8.81497 -12.4336 -41.6118 GPRESSAVG: 4012200 82.5098 -32.3902 6.51804 -37.9568 -5.69064 -13.7263 8.27719 -10.2977 -41.0033 TIMING: 4012200 CPU: 12066.3, 0.00295712/step Wall: 12066.3, 0.00295712/step, 0.811401 hours remaining, 209.289062 MB of memory in use. ENERGY: 4012200 722.4590 2047.1920 1938.5838 107.5358 -206087.4674 17922.7292 0.0000 0.0000 34233.5144 -149115.4531 298.9698 -183348.9675 -149017.3511 299.3786 68.4203 100.8589 556948.5590 12.1233 11.9386 LDB: ============= START OF LOAD BALANCING ============== 12069.8 LDB: ============== END OF LOAD BALANCING =============== 12069.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12069.8 LDB: ============= START OF LOAD BALANCING ============== 12070.1 LDB: Largest compute 4802 load 0.026442 is 22.4% of average load 0.118164 LDB: Average compute 0.001715 is 1.5% of average load 0.118164 LDB: TIME 12070.1 LOAD: AVG 0.118164 MAX 0.207967 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.629 MB LDB: TIME 12070.1 LOAD: AVG 0.118164 MAX 0.207967 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.863 MB LDB: TIME 12070.1 LOAD: AVG 0.118164 MAX 0.207967 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.863 MB LDB: ============== END OF LOAD BALANCING =============== 12070.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12070.1 PRESSURE: 4012400 83.1054 -40.6603 -66.0825 -40.6605 309.813 -17.1634 -66.0834 -17.1637 393.334 GPRESSURE: 4012400 127.133 23.0795 -65.9591 -68.9633 329.12 -86.4829 -52.4604 -17.593 426.01 PRESSAVG: 4012400 6.78589 -5.26767 -18.1726 -5.26767 -2.50728 -0.789443 -18.1727 -0.789479 -37.0641 GPRESSAVG: 4012400 7.14159 -7.89335 -15.2298 -5.45558 -2.89184 -2.08253 -17.8263 -1.08341 -36.739 TIMING: 4012400 CPU: 12066.9, 0.00302643/step Wall: 12066.9, 0.00302644/step, 0.830252 hours remaining, 209.710938 MB of memory in use. ENERGY: 4012400 736.9054 2070.8622 1923.2026 114.5795 -206352.5853 18171.6803 0.0000 0.0000 34129.3777 -149205.9775 298.0603 -183335.3552 -149113.8459 299.3413 262.0843 294.0878 557560.9758 -10.9285 -10.8298 PRESSURE: 4012600 -158.785 28.0592 -86.8285 28.0589 -152.817 14.3379 -86.8274 14.3384 -126.018 GPRESSURE: 4012600 -91.2918 82.7677 -112.41 21.9755 -113.793 21.636 -99.458 -75.0968 -142.032 PRESSAVG: 4012600 -49.478 -24.9732 45.7597 -24.9732 48.2786 19.3524 45.7596 19.3524 20.7267 GPRESSAVG: 4012600 -51.525 -22.26 43.4732 -26.704 50.5487 21.5138 47.1244 17.8951 20.1459 TIMING: 4012600 CPU: 12067.5, 0.00296824/step Wall: 12067.5, 0.00296824/step, 0.814122 hours remaining, 209.914062 MB of memory in use. ENERGY: 4012600 770.1978 2124.3844 1921.9459 118.3027 -205690.3029 17461.6352 0.0000 0.0000 34136.7378 -149157.0989 298.1246 -183293.8367 -149059.4962 299.0442 -145.8733 -115.7056 559068.3882 6.5091 6.3899 PRESSURE: 4012800 -97.0575 -108.3 -32.5968 -108.3 -35.2388 95.1874 -32.5966 95.1898 -101.548 GPRESSURE: 4012800 -79.869 -117.971 19.2535 -49.0197 -4.27838 54.5985 -0.0752642 127.732 -50.297 PRESSAVG: 4012800 15.3702 -13.7462 -26.2019 -13.7462 -9.77296 -9.97557 -26.202 -9.97571 -27.4923 GPRESSAVG: 4012800 18.0962 -12.897 -25.2858 -13.1939 -12.8241 -11.9383 -27.7299 -6.20264 -27.5247 TIMING: 4012800 CPU: 12068.1, 0.00298669/step Wall: 12068.1, 0.00298669/step, 0.819016 hours remaining, 209.914062 MB of memory in use. ENERGY: 4012800 707.7884 2150.3636 1938.7429 110.4699 -206200.7042 17750.3316 0.0000 0.0000 34345.4955 -149197.5123 299.9478 -183543.0078 -149097.3359 298.9619 -77.9481 -44.8148 557578.5096 -7.2984 -7.4175 PRESSURE: 4013000 -46.8193 -139.543 -156.493 -139.543 59.9871 175.317 -156.493 175.316 -126.898 GPRESSURE: 4013000 17.9879 -155.338 -60.8118 -167.134 63.7018 202.589 -133.302 186.423 -104.482 PRESSAVG: 4013000 21.1161 -49.6584 -36.4258 -49.6584 -10.1935 -15.232 -36.4257 -15.232 31.282 GPRESSAVG: 4013000 19.6069 -51.0479 -37.4564 -49.3037 -8.65166 -12.6224 -35.5472 -18.2468 31.0219 TIMING: 4013000 CPU: 12068.7, 0.00296784/step Wall: 12068.7, 0.00296783/step, 0.813681 hours remaining, 209.914062 MB of memory in use. ENERGY: 4013000 718.8715 2142.0112 1917.4896 109.1389 -205984.4781 17696.3721 0.0000 0.0000 34342.1427 -149058.4520 299.9185 -183400.5947 -148960.3989 299.7562 -37.9102 -7.5976 556973.9491 14.0682 13.9924 PRESSURE: 4013200 100.381 -67.1505 118.737 -67.15 321.732 78.9955 118.737 78.9942 117.167 GPRESSURE: 4013200 176.387 -56.6656 115.442 -65.967 265.124 91.2818 147.075 26.5459 188.304 PRESSAVG: 4013200 6.47778 -35.6671 52.451 -35.667 -9.81961 1.4195 52.451 1.41953 13.5503 GPRESSAVG: 4013200 6.51606 -35.523 50.9108 -35.1668 -11.0856 -1.53748 53.3615 4.06326 14.1809 TIMING: 4013200 CPU: 12069.3, 0.0029733/step Wall: 12069.3, 0.0029733/step, 0.815015 hours remaining, 209.914062 MB of memory in use. ENERGY: 4013200 720.3599 2129.1883 1950.5461 110.4655 -206560.7317 17958.9457 0.0000 0.0000 34447.8404 -149243.3859 300.8416 -183691.2263 -149146.1996 299.2887 179.7599 209.9385 556958.9868 3.4028 3.2038 PRESSURE: 4013400 254.76 19.8641 45.1798 19.864 -45.4204 227.021 45.1795 227.022 386.273 GPRESSURE: 4013400 235.698 0.695815 21.9449 -16.3478 52.5809 247.016 93.1773 154.572 397.051 PRESSAVG: 4013400 -43.629 -7.74777 65.1917 -7.74781 18.527 0.656631 65.1916 0.656646 62.3519 GPRESSAVG: 4013400 -44.3571 -9.36695 67.0503 -6.61951 19.2331 2.14879 62.9695 -1.28179 62.0241 TIMING: 4013400 CPU: 12069.9, 0.00300385/step Wall: 12069.9, 0.00300385/step, 0.823221 hours remaining, 209.914062 MB of memory in use. ENERGY: 4013400 768.5476 2062.6488 1909.9252 101.7108 -206280.9617 18184.5748 0.0000 0.0000 33982.0264 -149271.5282 296.7735 -183253.5546 -149183.5326 299.3571 198.5375 228.4434 556816.9837 12.4166 12.3000 PRESSURE: 4013600 -202.323 59.0641 -95.4986 59.0636 31.1571 49.6634 -95.4981 49.663 -358.939 GPRESSURE: 4013600 -130.721 90.4122 -88.1164 -24.6331 41.4352 56.6799 -48.8347 22.3465 -329.584 PRESSAVG: 4013600 -11.8973 -16.621 40.4817 -16.6209 40.9709 4.23558 40.4817 4.23564 1.48297 GPRESSAVG: 4013600 -12.1601 -12.8008 40.4392 -17.4184 40.5363 4.53448 42.1654 4.38064 1.61981 TIMING: 4013600 CPU: 12070.5, 0.00296927/step Wall: 12070.5, 0.00296927/step, 0.81358 hours remaining, 209.914062 MB of memory in use. ENERGY: 4013600 760.5913 2067.6427 1936.0017 100.7085 -206055.0090 17582.8951 0.0000 0.0000 34337.0735 -149270.0963 299.8742 -183607.1698 -149177.3848 298.9472 -176.7017 -139.6232 558360.3607 10.1855 9.9986 PRESSURE: 4013800 -42.7214 -170.288 5.72275 -170.288 85.9264 -1.61436 5.72321 -1.61496 103.431 GPRESSURE: 4013800 -22.3907 -107.996 20.2543 -135.09 108.861 -36.8812 26.4703 -20.5471 157.299 PRESSAVG: 4013800 5.5049 5.73824 -18.1682 5.73824 37.6315 -2.38193 -18.1681 -2.38192 -7.04548 GPRESSAVG: 4013800 5.64478 2.65451 -20.2851 5.67139 38.0625 -3.74325 -17.9352 -0.694522 -7.17605 TIMING: 4013800 CPU: 12071.1, 0.00298071/step Wall: 12071.1, 0.00298071/step, 0.816549 hours remaining, 209.914062 MB of memory in use. ENERGY: 4013800 715.7962 2104.2086 1943.2814 107.4894 -206241.6137 17797.3580 0.0000 0.0000 34205.2353 -149368.2447 298.7228 -183573.4801 -149270.2295 299.0808 48.8788 81.2564 557550.3466 12.0303 12.1771 PRESSURE: 4014000 -130.235 4.24515 1.88432 4.24415 141.121 -107.202 1.88351 -107.202 191.465 GPRESSURE: 4014000 -145.05 -11.117 58.5984 118.907 197.015 -100.347 -79.2377 -144.565 234.986 PRESSAVG: 4014000 -43.8738 -120.825 -16.3745 -120.825 -18.3889 -36.7437 -16.3744 -36.7437 81.6899 GPRESSAVG: 4014000 -43.7319 -121.088 -13.5042 -119.309 -18.8467 -37.1 -18.2499 -39.0605 82.1025 TIMING: 4014000 CPU: 12071.7, 0.0029499/step Wall: 12071.7, 0.0029499/step, 0.807944 hours remaining, 209.914062 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: 4014000 710.6691 2169.2271 1956.6703 120.6626 -206389.7013 17952.6310 0.0000 0.0000 33979.4907 -149500.3504 296.7513 -183479.8412 -149400.3062 299.2588 67.4503 95.6503 558226.5369 6.4757 6.5079 PRESSURE: 4014200 173.719 -107.216 303.983 -107.216 212.003 -22.0767 303.983 -22.0773 -76.5589 GPRESSURE: 4014200 251.285 -164.389 310.251 -129.033 211.569 -43.9776 255.795 30.29 -61.1116 PRESSAVG: 4014200 -11.2438 -48.7122 83.4722 -48.7122 -25.3945 7.296 83.4722 7.29599 32.8391 GPRESSAVG: 4014200 -9.99939 -46.4598 80.2208 -51.5158 -25.9151 9.16371 85.4148 7.75021 32.5353 TIMING: 4014200 CPU: 12072.3, 0.00295703/step Wall: 12072.3, 0.00295703/step, 0.809733 hours remaining, 209.914062 MB of memory in use. ENERGY: 4014200 731.3549 2100.2661 1944.7321 106.9835 -206542.6131 18045.0128 0.0000 0.0000 34118.5685 -149495.6953 297.9659 -183614.2638 -149403.2952 298.4037 103.0544 133.9142 557474.1100 -1.2664 -1.1264 PRESSURE: 4014400 -70.9184 -209.031 -140.938 -209.031 292.618 22.2716 -140.938 22.2719 -141.254 GPRESSURE: 4014400 -2.72947 -146.648 -166.42 -208.553 295.183 97.4811 -104.763 -22.7849 -115.377 PRESSAVG: 4014400 48.512 -30.5615 25.083 -30.5616 -0.923109 35.242 25.083 35.2419 -41.3515 GPRESSAVG: 4014400 48.7855 -31.3216 26.1408 -27.9336 -0.601827 35.0048 24.9919 35.45 -41.4048 TIMING: 4014400 CPU: 12072.9, 0.0029903/step Wall: 12072.9, 0.0029903/step, 0.818679 hours remaining, 209.914062 MB of memory in use. ENERGY: 4014400 765.5014 2084.3952 1940.1926 122.3082 -206331.9153 17865.7689 0.0000 0.0000 34020.3570 -149533.3919 297.1082 -183553.7489 -149437.3022 298.5583 26.8152 59.0255 556030.7348 2.0791 2.2596 PRESSURE: 4014600 10.3197 -121.932 15.1341 -121.932 117.48 25.4758 15.1338 25.4744 -33.5747 GPRESSURE: 4014600 -1.26208 -84.4015 -94.8711 -102.939 194.333 34.0307 67.9429 18.2886 -6.59599 PRESSAVG: 4014600 32.5211 -37.0467 -12.2412 -37.0467 41.343 38.4162 -12.2412 38.4162 -0.360582 GPRESSAVG: 4014600 31.309 -35.9283 -11.1932 -39.0397 42.4224 37.6034 -14.2154 38.7657 0.0060299 TIMING: 4014600 CPU: 12073.5, 0.00299844/step Wall: 12073.5, 0.00299844/step, 0.820739 hours remaining, 209.914062 MB of memory in use. ENERGY: 4014600 769.5046 2107.3306 1945.0635 100.6754 -206527.8773 17894.9207 0.0000 0.0000 34265.0262 -149445.3564 299.2450 -183710.3825 -149345.3722 298.6937 31.4082 62.1585 556701.1235 24.5012 24.5791 PRESSURE: 4014800 -54.3682 -106.141 -8.44847 -106.141 -203.061 47.3377 -8.4499 47.3366 -378.714 GPRESSURE: 4014800 33.1441 -187.449 -8.79981 -138.782 -174.38 11.4459 -81.963 45.0251 -391.934 PRESSAVG: 4014800 -31.0444 -36.3216 -28.39 -36.3216 64.9947 17.1384 -28.3899 17.1384 -62.5999 GPRESSAVG: 4014800 -30.2023 -38.6551 -27.778 -35.0133 63.9164 16.731 -28.5831 16.4051 -62.8074 TIMING: 4014800 CPU: 12074, 0.0029744/step Wall: 12074, 0.0029744/step, 0.813995 hours remaining, 209.914062 MB of memory in use. ENERGY: 4014800 767.1389 2108.9072 1944.9041 111.5738 -206018.2454 17487.3711 0.0000 0.0000 34399.9014 -149198.4489 300.4229 -183598.3504 -149105.6722 299.5042 -212.0475 -177.7233 558310.5592 -9.5498 -9.6978 PRESSURE: 4015000 213.879 131.3 -247.879 131.3 135.666 -132.954 -247.879 -132.956 95.4861 GPRESSURE: 4015000 276.314 182.685 -192.228 163.335 78.4708 -179.54 -257.843 -70.4056 184.8 PRESSAVG: 4015000 -19.7896 -20.2504 -66.191 -20.2505 86.3836 -36.3374 -66.191 -36.3374 -43.3158 GPRESSAVG: 4015000 -19.7251 -19.3113 -67.3579 -20.2182 86.7991 -36.3621 -65.387 -36.4516 -43.5152 TIMING: 4015000 CPU: 12074.6, 0.00295109/step Wall: 12074.6, 0.00295109/step, 0.807452 hours remaining, 209.914062 MB of memory in use. ENERGY: 4015000 766.8087 2119.1665 1944.6316 111.4213 -206336.3189 17962.4765 0.0000 0.0000 34236.4270 -149195.3874 298.9952 -183431.8144 -149095.0412 299.4981 148.3437 179.8615 556755.1832 7.7594 7.8530 PRESSURE: 4015200 96.4086 -102.823 -44.3763 -102.822 95.2731 -161.983 -44.3782 -161.986 50.5777 GPRESSURE: 4015200 135.006 -145.225 -41.4514 -84.4839 119.093 -137.283 -19.0254 -171.599 85.4273 PRESSAVG: 4015200 42.7142 10.6955 -43.5635 10.6955 -57.2033 -23.134 -43.5635 -23.1342 -1.09336 GPRESSAVG: 4015200 41.9152 11.4987 -44.0229 10.3274 -56.2155 -21.4672 -42.8227 -22.32 -0.963467 TIMING: 4015200 CPU: 12075.2, 0.00295825/step Wall: 12075.2, 0.00295825/step, 0.809245 hours remaining, 209.914062 MB of memory in use. ENERGY: 4015200 759.2172 2099.0464 1939.8444 131.0599 -206109.9058 17905.8588 0.0000 0.0000 34154.0804 -149120.7986 298.2761 -183274.8790 -149023.2935 299.5438 80.7531 113.1755 557058.2542 -5.1941 -5.0879 PRESSURE: 4015400 58.2547 -28.3727 -99.5009 -28.3724 150.11 -165.117 -99.5007 -165.117 -153.702 GPRESSURE: 4015400 125.525 -59.0279 -71.0015 -37.101 147.05 -119.603 -126.665 -168.351 -121.282 PRESSAVG: 4015400 33.7381 11.1368 32.7957 11.1368 -11.1651 -25.235 32.7957 -25.235 -7.31621 GPRESSAVG: 4015400 34.4505 10.8893 34.37 11.6923 -11.2736 -25.5694 29.609 -25.5832 -7.94687 TIMING: 4015400 CPU: 12075.8, 0.00295376/step Wall: 12075.8, 0.00295376/step, 0.807854 hours remaining, 209.914062 MB of memory in use. ENERGY: 4015400 767.9806 2152.1726 1942.7220 105.1745 -206396.1101 17965.7029 0.0000 0.0000 34358.1075 -149104.2500 300.0579 -183462.3575 -149000.7689 300.4636 18.2208 50.4306 557105.0853 5.0856 5.0767 PRESSURE: 4015600 -31.529 -18.5281 -2.33901 -18.5276 -189.773 -16.9928 -2.3394 -16.9934 28.5485 GPRESSURE: 4015600 13.0987 13.1438 45.323 9.2874 -150.065 11.1702 -46.1772 -8.25781 52.5285 PRESSAVG: 4015600 -6.67314 6.52209 -9.82062 6.52212 -37.1264 35.1668 -9.8206 35.1667 25.5204 GPRESSAVG: 4015600 -6.63979 5.62857 -12.19 6.2361 -37.7808 34.5431 -5.59137 36.5689 25.9027 TIMING: 4015600 CPU: 12076.4, 0.00295695/step Wall: 12076.4, 0.00295695/step, 0.808563 hours remaining, 209.914062 MB of memory in use. ENERGY: 4015600 750.4116 2128.5483 1949.5145 127.9053 -206135.0913 17734.9910 0.0000 0.0000 34412.7019 -149031.0186 300.5347 -183443.7206 -148929.2266 299.6869 -64.2512 -28.1458 557968.4099 -6.0931 -6.1726 PRESSURE: 4015800 36.4668 61.1127 -69.9825 61.112 157.741 -39.8414 -69.9831 -39.8413 32.5787 GPRESSURE: 4015800 40.6379 108.424 -26.2187 43.612 186.312 7.79955 -77.0365 -63.024 101.232 PRESSAVG: 4015800 102.206 -20.0497 -4.05203 -20.0498 -39.5766 -11.9437 -4.05206 -11.9437 -8.89995 GPRESSAVG: 4015800 102.934 -19.084 -3.33536 -20.1489 -40.8513 -12.3541 -5.34748 -14.7677 -8.26095 TIMING: 4015800 CPU: 12077, 0.00299512/step Wall: 12077, 0.00299512/step, 0.818833 hours remaining, 209.914062 MB of memory in use. ENERGY: 4015800 761.7136 2109.9542 1954.9081 94.2957 -206480.7548 17856.4602 0.0000 0.0000 34572.7085 -149130.7144 301.9321 -183703.4229 -149033.0863 300.3442 75.5956 109.3941 556696.9192 17.9097 17.9405 PRESSURE: 4016000 -101.481 95.9476 39.2716 95.9469 -147.314 -146.539 39.2702 -146.538 -308.131 GPRESSURE: 4016000 -86.1937 134.462 14.1625 25.9277 -39.7513 -121.094 7.40153 -129.139 -332.64 PRESSAVG: 4016000 -4.81208 10.2391 36.2088 10.2392 7.63455 -39.1529 36.2089 -39.1529 52.6982 GPRESSAVG: 4016000 -5.83464 9.90643 36.0949 11.2863 8.62788 -38.8434 34.9752 -36.7447 52.6251 TIMING: 4016000 CPU: 12077.6, 0.00300706/step Wall: 12077.6, 0.00300706/step, 0.821931 hours remaining, 209.914062 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: 4016000 785.2306 2107.0996 1932.0420 120.8935 -205947.4030 17517.2478 0.0000 0.0000 34243.2228 -149241.6668 299.0546 -183484.8896 -149139.8855 299.3863 -185.6421 -152.8616 557555.7681 18.5069 18.4728 PRESSURE: 4016200 121.392 120.815 51.7671 120.816 -129.68 119.473 51.768 119.474 -175.89 GPRESSURE: 4016200 151.817 202.504 29.5159 46.04 -95.2497 43.6313 52.7562 116.562 -153.614 PRESSAVG: 4016200 27.4436 -6.19687 20.825 -6.19681 -5.67034 -2.17763 20.8249 -2.17759 -2.21978 GPRESSAVG: 4016200 27.1801 -5.72193 22.339 -7.23038 -5.4866 -3.28213 20.6631 -2.93117 -2.85355 TIMING: 4016200 CPU: 12078.2, 0.00297986/step Wall: 12078.2, 0.00297986/step, 0.814328 hours remaining, 209.914062 MB of memory in use. ENERGY: 4016200 761.3336 2136.0263 1945.4530 111.9153 -206187.5208 17745.0736 0.0000 0.0000 34168.9315 -149318.7874 298.4058 -183487.7189 -149216.0795 299.4378 -61.3924 -32.3489 556775.1248 6.5178 6.2800 LDB: ============= START OF LOAD BALANCING ============== 12081.7 LDB: ============== END OF LOAD BALANCING =============== 12081.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12081.7 LDB: ============= START OF LOAD BALANCING ============== 12082 LDB: Largest compute 4773 load 0.029275 is 24.8% of average load 0.118166 LDB: Average compute 0.001730 is 1.5% of average load 0.118166 LDB: TIME 12082 LOAD: AVG 0.118166 MAX 0.210362 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.707 MB LDB: TIME 12082 LOAD: AVG 0.118166 MAX 0.210362 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.707 MB LDB: TIME 12082 LOAD: AVG 0.118166 MAX 0.210362 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.707 MB LDB: ============== END OF LOAD BALANCING =============== 12082 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12082 PRESSURE: 4016400 1.72548 16.8621 39.9727 16.8621 180.478 -84.0744 39.9739 -84.0749 314.334 GPRESSURE: 4016400 67.506 34.0472 53.7823 -19.1634 200.178 -26.8397 12.1063 -111.689 310.593 PRESSAVG: 4016400 -41.2431 45.6242 8.96043 45.6241 80.0125 -23.1412 8.96048 -23.1413 -49.8399 GPRESSAVG: 4016400 -41.2231 46.8229 6.95155 45.2445 79.724 -20.7884 11.6522 -24.2961 -49.5697 TIMING: 4016400 CPU: 12078.8, 0.00305696/step Wall: 12078.8, 0.00305696/step, 0.835231 hours remaining, 208.687500 MB of memory in use. ENERGY: 4016400 748.6349 2094.3631 1950.2239 112.0784 -206494.5948 17873.8693 0.0000 0.0000 34333.5206 -149381.9046 299.8432 -183715.4252 -149278.6203 299.0480 165.5124 192.7590 555805.6059 -3.6902 -3.6896 PRESSURE: 4016600 103.227 112.437 -61.8405 112.437 129.447 0.250889 -61.8405 0.251935 -215.962 GPRESSURE: 4016600 156.747 57.0606 -52.05 207.947 60.8339 2.77391 -59.205 3.01001 -105.657 PRESSAVG: 4016600 33.4011 10.9142 -62.0547 10.9142 -32.2886 19.4576 -62.0547 19.4576 25.6611 GPRESSAVG: 4016600 33.7893 8.03937 -60.9094 13.6308 -32.8583 19.1729 -62.8651 18.5107 25.8614 TIMING: 4016600 CPU: 12079.4, 0.00298699/step Wall: 12079.4, 0.00298699/step, 0.815945 hours remaining, 208.890625 MB of memory in use. ENERGY: 4016600 725.5538 2126.4517 1961.3632 103.7529 -206316.1241 17773.2797 0.0000 0.0000 34442.0387 -149183.6841 300.7909 -183625.7229 -149082.0725 298.7721 5.5705 37.3081 557377.9130 8.9246 8.9308 PRESSURE: 4016800 -122.758 -57.7088 -113.052 -57.708 -58.4467 57.0227 -113.052 57.0231 157.635 GPRESSURE: 4016800 -86.9212 -52.2385 -152.022 -90.7551 6.37677 3.74431 -144.544 47.5245 165.145 PRESSAVG: 4016800 -20.0725 5.17134 -6.53078 5.1714 -43.1909 31.9414 -6.53068 31.9415 52.5391 GPRESSAVG: 4016800 -21.1142 8.36636 -6.72513 2.31318 -42.9801 30.0792 -6.90051 33.4937 53.2659 TIMING: 4016800 CPU: 12080, 0.0030252/step Wall: 12080, 0.0030252/step, 0.826216 hours remaining, 209.093750 MB of memory in use. ENERGY: 4016800 759.6900 2098.6070 1956.2956 131.0727 -206281.4788 17903.9251 0.0000 0.0000 34255.0798 -149176.8086 299.1581 -183431.8884 -149083.5626 299.7186 -7.8565 28.2001 558106.2653 -3.5748 -3.6095 PRESSURE: 4017000 117.837 -133.235 -59.5765 -133.235 -110.063 -27.5084 -59.5758 -27.5078 -135.49 GPRESSURE: 4017000 147.705 -82.4311 -39.2431 -153.809 -65.3478 -67.4794 42.2047 -21.7999 -108.729 PRESSAVG: 4017000 16.1454 4.7579 -14.4027 4.75793 -42.7963 19.1931 -14.4028 19.1931 11.6151 GPRESSAVG: 4017000 17.0036 4.95773 -13.7938 4.72448 -42.5142 19.758 -15.869 19.2693 10.8872 TIMING: 4017000 CPU: 12080.6, 0.00302226/step Wall: 12080.6, 0.00302226/step, 0.825245 hours remaining, 209.093750 MB of memory in use. ENERGY: 4017000 765.4362 2115.4889 1923.9591 120.3281 -206110.5676 17689.6069 0.0000 0.0000 34167.8860 -149327.8624 298.3966 -183495.7483 -149237.8538 298.1694 -42.5722 -8.7907 557455.1252 -5.0120 -4.8744 PRESSURE: 4017200 126.461 -35.6587 5.35671 -35.6599 -5.30292 59.623 5.35588 59.6216 -78.1134 GPRESSURE: 4017200 113.826 -6.94279 28.607 16.7277 56.5178 -102.201 23.4871 73.2277 -27.4957 PRESSAVG: 4017200 30.9508 -52.41 -13.1984 -52.4101 -39.2966 33.4285 -13.1985 33.4285 53.4082 GPRESSAVG: 4017200 30.2689 -55.3359 -12.2914 -49.564 -39.2981 32.8593 -12.51 34.2481 53.4509 TIMING: 4017200 CPU: 12081.2, 0.00304264/step Wall: 12081.2, 0.00304264/step, 0.830641 hours remaining, 209.093750 MB of memory in use. ENERGY: 4017200 755.9207 2139.8585 1921.9704 107.9592 -206266.3781 17814.7404 0.0000 0.0000 34099.6949 -149426.2340 297.8011 -183525.9289 -149329.4146 298.6469 14.3481 47.6161 557712.5843 15.0208 14.8072 PRESSURE: 4017400 -192.18 67.7643 2.60267 67.7645 137.186 -251.776 2.60203 -251.777 -63.2798 GPRESSURE: 4017400 -107.348 -3.13209 -13.4198 23.6494 110.118 -164.695 34.943 -259.428 -12.6071 PRESSAVG: 4017400 58.1669 4.49638 -8.04821 4.49645 -3.35145 -4.01403 -8.04826 -4.01403 -77.1508 GPRESSAVG: 4017400 59.3893 5.81348 -9.16438 1.73942 -3.50404 -3.98602 -10.3113 -4.16267 -78.1089 TIMING: 4017400 CPU: 12081.8, 0.00304711/step Wall: 12081.8, 0.00304711/step, 0.831692 hours remaining, 209.093750 MB of memory in use. ENERGY: 4017400 704.3596 2076.9434 1932.8356 133.7908 -206231.3522 17648.6937 0.0000 0.0000 34172.8252 -149561.9039 298.4398 -183734.7291 -149472.4589 297.9114 -39.4247 -3.2790 557284.5653 -7.4451 -7.4079 PRESSURE: 4017600 -130.031 -50.4056 43.8166 -50.4055 -97.289 26.0349 43.8171 26.0335 -329.611 GPRESSURE: 4017600 -57.4902 -103.82 -18.0538 -4.86638 -149.367 130.238 137.077 -27.9969 -256.746 PRESSAVG: 4017600 -2.36234 12.6605 -45.4906 12.6605 -10.2413 -2.24998 -45.4905 -2.25001 -13.3489 GPRESSAVG: 4017600 -1.97116 13.5248 -44.7306 15.7517 -10.5846 0.209172 -43.7415 -2.27659 -13.251 TIMING: 4017600 CPU: 12082.4, 0.00301123/step Wall: 12082.4, 0.00301123/step, 0.821731 hours remaining, 209.093750 MB of memory in use. ENERGY: 4017600 715.2057 2093.3187 1962.5405 111.0680 -205741.4554 17354.8357 0.0000 0.0000 34026.8763 -149477.6106 297.1652 -183504.4868 -149376.6485 297.8953 -185.6438 -154.5343 557505.2044 -8.6508 -8.6023 PRESSURE: 4017800 -395.479 -35.6386 36.4555 -35.6382 -397.345 72.2303 36.457 72.2308 -293.439 GPRESSURE: 4017800 -428.545 -37.9907 -42.8939 -20.2733 -353.098 -5.35832 1.10032 90.0583 -208.116 PRESSAVG: 4017800 26.103 -63.109 20.1994 -63.1089 5.3016 36.9057 20.1995 36.9058 -7.51642 GPRESSAVG: 4017800 23.992 -61.4682 20.432 -67.2661 5.59389 36.4007 20.0681 36.1881 -6.16396 TIMING: 4017800 CPU: 12083, 0.00302051/step Wall: 12083, 0.00302051/step, 0.824095 hours remaining, 209.093750 MB of memory in use. ENERGY: 4017800 792.0229 2075.2179 1940.5919 114.6581 -206383.4707 17789.3413 0.0000 0.0000 34251.3041 -149420.3345 299.1252 -183671.6385 -149322.4110 298.2038 -362.0875 -329.9199 558412.2236 7.9627 7.8073 PRESSURE: 4018000 -42.8708 99.5446 -4.09204 99.5442 -137.538 -72.1084 -4.09287 -72.1061 -220.775 GPRESSURE: 4018000 -39.3183 215.345 -27.483 41.0734 -72.2889 -38.4508 -1.01736 -102.952 -200.683 PRESSAVG: 4018000 31.1451 15.209 6.0234 15.209 -56.2442 24.3696 6.02329 24.3697 49.6725 GPRESSAVG: 4018000 32.4413 14.7958 3.99411 15.6786 -55.8457 24.675 5.26538 24.0995 48.3571 TIMING: 4018000 CPU: 12083.7, 0.0030114/step Wall: 12083.7, 0.0030114/step, 0.821444 hours remaining, 209.093750 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: 4018000 731.0503 2113.9658 1947.1604 97.7601 -206043.2483 17553.2033 0.0000 0.0000 34179.8343 -149420.2741 298.5010 -183600.1084 -149320.1018 299.0998 -133.7278 -104.0967 556497.3816 8.1911 8.3176 PRESSURE: 4018200 -57.0827 51.6458 50.9024 51.646 -182.432 -32.6166 50.9014 -32.6182 -50.9615 GPRESSURE: 4018200 -41.8212 -65.7376 14.7812 149.546 -167.279 -3.20889 -24.4464 -76.0639 12.7898 PRESSAVG: 4018200 4.64501 49.8158 3.44567 49.8157 18.9046 -2.15121 3.44574 -2.15117 -10.7268 GPRESSAVG: 4018200 4.75926 49.1552 4.84505 49.903 19.9098 -1.89197 3.43806 -1.07381 -11.4117 TIMING: 4018200 CPU: 12084.3, 0.00299926/step Wall: 12084.3, 0.00299926/step, 0.817964 hours remaining, 209.093750 MB of memory in use. ENERGY: 4018200 771.1472 2110.1758 1936.4789 119.0948 -206438.5283 17866.5692 0.0000 0.0000 34233.9468 -149401.1155 298.9736 -183635.0623 -149301.5565 298.5719 -96.8255 -65.4366 557213.3631 4.2742 4.4191 PRESSURE: 4018400 130.242 334.077 -123.488 334.077 -212.008 -33.427 -123.487 -33.4276 30.5582 GPRESSURE: 4018400 231.049 298.083 -80.8537 274.725 -236.418 -42.5709 -52.5036 -61.7323 52.4864 PRESSAVG: 4018400 17.8226 27.1188 -7.80908 27.1187 40.5487 -18.3521 -7.80908 -18.3523 -39.9771 GPRESSAVG: 4018400 17.8532 27.4662 -8.79777 26.4319 40.0757 -19.0035 -7.69989 -17.8207 -39.3018 TIMING: 4018400 CPU: 12084.8, 0.00296872/step Wall: 12084.8, 0.00296872/step, 0.809472 hours remaining, 209.093750 MB of memory in use. ENERGY: 4018400 746.4111 2088.9419 1950.1295 118.9253 -206583.8289 17951.5145 0.0000 0.0000 34415.7236 -149312.1828 300.5611 -183727.9065 -149214.3178 299.5743 -17.0692 15.7057 556571.9653 6.1314 6.2090 PRESSURE: 4018600 135.698 -99.7712 84.5078 -99.7709 101.791 35.5693 84.5076 35.5682 -140.802 GPRESSURE: 4018600 196.575 -91.4727 154.503 -82.75 131.042 -12.5929 51.3141 82.2651 -130.953 PRESSAVG: 4018600 3.96018 31.3064 6.45087 31.3064 33.3309 -7.57404 6.45091 -7.57406 -27.2282 GPRESSAVG: 4018600 4.22056 31.8784 6.79075 32.5716 32.1785 -8.19338 7.24611 -6.81517 -25.8024 TIMING: 4018600 CPU: 12085.4, 0.00296433/step Wall: 12085.4, 0.00296433/step, 0.808111 hours remaining, 209.093750 MB of memory in use. ENERGY: 4018600 772.9114 2171.6495 1933.5423 106.6953 -206475.8272 17963.5758 0.0000 0.0000 34142.5029 -149384.9501 298.1750 -183527.4529 -149294.1008 299.3812 32.2287 65.5546 557556.6119 3.3543 3.5322 PRESSURE: 4018800 12.2964 -20.3952 -77.8526 -20.395 -91.4887 15.0155 -77.8535 15.0149 -23.1671 GPRESSURE: 4018800 12.9976 5.59442 -96.467 -22.766 -89.2176 97.7135 -115.93 -23.3492 68.8728 PRESSAVG: 4018800 1.85505 -3.59187 -3.62919 -3.5919 90.0422 25.038 -3.62922 25.0381 -29.9267 GPRESSAVG: 4018800 2.44953 -5.59433 -4.09817 -5.70031 89.7566 25.7599 -2.98587 25.151 -29.8458 TIMING: 4018800 CPU: 12086, 0.00297295/step Wall: 12086, 0.00297295/step, 0.810293 hours remaining, 209.093750 MB of memory in use. ENERGY: 4018800 768.6310 2087.6959 1935.8257 114.6192 -206370.1812 17811.5747 0.0000 0.0000 34155.6488 -149496.1860 298.2898 -183651.8347 -149400.6125 298.8310 -34.1198 -2.4491 557307.1240 20.6569 20.7868 PRESSURE: 4019000 -174.9 -60.7176 46.9517 -60.7183 -234.069 71.3449 46.9537 71.3441 -87.9582 GPRESSURE: 4019000 -104.817 -56.2389 -77.9278 -126.143 -197.475 34.2537 86.0794 165.88 -99.6396 PRESSAVG: 4019000 -31.7071 -28.3463 -34.2535 -28.3464 74.5042 18.127 -34.2534 18.127 -48.1074 GPRESSAVG: 4019000 -33.0219 -27.6571 -33.7333 -26.2137 76.586 18.9198 -33.6657 17.5626 -48.664 TIMING: 4019000 CPU: 12086.6, 0.00295959/step Wall: 12086.6, 0.00295959/step, 0.806487 hours remaining, 209.093750 MB of memory in use. ENERGY: 4019000 707.2702 2113.9593 1929.0007 105.3075 -206496.9313 17863.6838 0.0000 0.0000 34210.0262 -149567.6837 298.7647 -183777.7099 -149468.2923 298.7409 -165.6426 -133.9771 557826.6506 -1.7701 -1.7000 PRESSURE: 4019200 4.28174 199.88 3.2882 199.88 54.9501 116.545 3.28866 116.545 66.2472 GPRESSURE: 4019200 9.75724 59.3598 37.0213 214.116 92.5253 118.899 3.7927 94.9001 123.468 PRESSAVG: 4019200 -53.3992 9.30712 44.1464 9.30711 42.2801 110.187 44.1464 110.187 -32.2028 GPRESSAVG: 4019200 -53.6322 9.04415 43.9141 8.21243 42.0392 110.484 43.3397 109.702 -32.2963 TIMING: 4019200 CPU: 12087.2, 0.00296704/step Wall: 12087.2, 0.00296704/step, 0.808353 hours remaining, 209.093750 MB of memory in use. ENERGY: 4019200 772.1914 2102.2037 1910.5182 115.3879 -206751.9814 18136.8329 0.0000 0.0000 34269.8511 -149444.9962 299.2871 -183714.8473 -149340.8531 298.0378 41.8263 75.2502 556603.8968 -14.4406 -14.6298 PRESSURE: 4019400 -21.3311 -48.7793 -60.5223 -48.7794 -98.0299 70.3484 -60.5208 70.3488 137.965 GPRESSURE: 4019400 52.6643 -62.6688 -72.1447 9.72665 -123.596 9.94672 -91.6463 74.4815 182.019 PRESSAVG: 4019400 -36.9041 38.8404 -8.82039 38.8403 15.8343 -6.76481 -8.82047 -6.76486 24.4504 GPRESSAVG: 4019400 -36.0871 38.6697 -9.62154 41.1724 15.0973 -8.76922 -9.36779 -6.77246 24.6024 TIMING: 4019400 CPU: 12087.8, 0.00296147/step Wall: 12087.8, 0.00296147/step, 0.806671 hours remaining, 209.093750 MB of memory in use. ENERGY: 4019400 766.5051 2085.9206 1938.9511 118.1528 -206401.0170 17805.6422 0.0000 0.0000 34181.8546 -149503.9907 298.5186 -183685.8452 -149408.9469 299.0243 6.2013 37.0291 557118.3329 1.1269 1.2042 PRESSURE: 4019600 -204.241 -57.6167 -210.503 -57.6165 -162.142 85.0617 -210.503 85.0627 11.2312 GPRESSURE: 4019600 -129.584 -28.7892 -132.811 -34.6069 -116.66 110.184 -260.725 74.883 -12.6983 PRESSAVG: 4019600 43.3914 2.85991 -3.78571 2.85988 -2.97759 -1.55649 -3.78573 -1.55636 -23.7315 GPRESSAVG: 4019600 43.7486 2.09077 -2.62723 1.63197 -1.9002 -0.235391 -4.34169 -0.638866 -25.0195 TIMING: 4019600 CPU: 12088.4, 0.00296403/step Wall: 12088.4, 0.00296403/step, 0.807204 hours remaining, 209.093750 MB of memory in use. ENERGY: 4019600 737.5906 2084.2201 1923.8597 115.3105 -206161.7375 17653.9489 0.0000 0.0000 34202.9190 -149443.8887 298.7026 -183646.8077 -149349.0866 299.0295 -118.3839 -86.3142 556688.9401 5.5608 5.6096 PRESSURE: 4019800 -100.9 39.6418 -25.6922 39.6419 -213.101 -99.5748 -25.6928 -99.5752 -46.0204 GPRESSURE: 4019800 -65.3544 -49.8579 -114.552 -12.8119 -235.384 -68.3532 -17.5225 -134.522 33.4167 PRESSAVG: 4019800 49.1432 -1.87555 37.8936 -1.87546 -50.9882 11.0483 37.8936 11.0481 4.12006 GPRESSAVG: 4019800 48.5565 0.417522 35.4776 -5.30483 -52.1133 12.5804 38.8685 9.25269 6.27345 TIMING: 4019800 CPU: 12089, 0.00299151/step Wall: 12089, 0.00299151/step, 0.814521 hours remaining, 209.093750 MB of memory in use. ENERGY: 4019800 772.6784 2100.1101 1940.6043 108.3070 -206338.1069 17801.6988 0.0000 0.0000 34291.3740 -149323.3342 299.4751 -183614.7082 -149221.6096 299.4604 -120.0073 -89.1074 556444.5500 0.7583 0.9056 PRESSURE: 4020000 -375.112 -88.6831 -122.244 -88.6832 165.719 -86.3575 -122.245 -86.3568 -43.4455 GPRESSURE: 4020000 -335.184 -102.055 -57.1696 -58.6416 163.266 -136.388 -170.349 -48.9213 15.8802 PRESSAVG: 4020000 -10.2438 -43.7644 6.83427 -43.7644 7.01325 39.6255 6.83442 39.6253 -1.46001 GPRESSAVG: 4020000 -10.2811 -44.6 8.29085 -41.194 8.00775 37.9644 6.12961 38.5071 -2.07412 TIMING: 4020000 CPU: 12089.6, 0.00298233/step Wall: 12089.6, 0.00298233/step, 0.811857 hours remaining, 209.093750 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: 4020000 762.9319 2034.8086 1936.2457 98.6061 -205800.9573 17738.9283 0.0000 0.0000 34027.6597 -149201.7770 297.1720 -183229.4367 -149106.0258 299.1002 -84.2798 -52.0124 558322.8125 -1.5635 -1.4492 PRESSURE: 4020200 -55.9451 -150.405 -5.43196 -150.406 -201.996 24.4155 -5.43197 24.4151 -183.985 GPRESSURE: 4020200 -80.9102 -185.303 -86.7191 -151.687 -109.861 54.5213 58.5577 -62.582 -150.844 PRESSAVG: 4020200 0.94395 -53.9041 29.1873 -53.9041 -19.6483 -0.64604 29.1874 -0.64592 28.6056 GPRESSAVG: 4020200 0.696571 -54.8101 29.6581 -54.6517 -18.438 -1.07294 28.7195 0.124818 27.5671 TIMING: 4020200 CPU: 12090.2, 0.0029877/step Wall: 12090.2, 0.0029877/step, 0.813151 hours remaining, 209.093750 MB of memory in use. ENERGY: 4020200 791.4269 2084.9787 1944.0752 112.1028 -205927.9829 17542.7701 0.0000 0.0000 34182.9307 -149269.6985 298.5280 -183452.6292 -149174.7058 299.3205 -147.3087 -113.8717 556411.0028 3.3004 3.2752 LDB: ============= START OF LOAD BALANCING ============== 12093.7 LDB: ============== END OF LOAD BALANCING =============== 12093.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12093.7 LDB: ============= START OF LOAD BALANCING ============== 12094 LDB: Largest compute 4773 load 0.027002 is 22.8% of average load 0.118234 LDB: Average compute 0.001713 is 1.4% of average load 0.118234 LDB: TIME 12094 LOAD: AVG 0.118234 MAX 0.20921 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.258 MB LDB: TIME 12094 LOAD: AVG 0.118234 MAX 0.20921 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.461 MB LDB: TIME 12094 LOAD: AVG 0.118234 MAX 0.20921 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.461 MB LDB: ============== END OF LOAD BALANCING =============== 12094 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12094 PRESSURE: 4020400 218.308 -97.2995 28.4915 -97.2993 131.284 23.1703 28.4905 23.1726 -18.5123 GPRESSURE: 4020400 228.565 -107.866 -3.06554 -8.75232 152.147 83.3888 2.62391 -18.7735 48.3495 PRESSAVG: 4020400 40.7312 -24.914 25.5651 -24.9139 53.7659 -18.1555 25.5651 -18.1553 -48.5347 GPRESSAVG: 4020400 41.6253 -25.406 24.8445 -22.5446 52.3736 -16.9972 25.5218 -18.5313 -48.2709 TIMING: 4020400 CPU: 12090.8, 0.00307686/step Wall: 12090.8, 0.00307686/step, 0.837247 hours remaining, 210.480469 MB of memory in use. ENERGY: 4020400 731.4767 2029.9979 1946.2992 127.1259 -205961.0007 17791.4006 0.0000 0.0000 34281.6295 -149053.0708 299.3900 -183334.7003 -148959.8508 300.0152 110.3598 143.0203 557055.3280 15.3208 15.2427 PRESSURE: 4020600 116.714 -20.506 -8.23288 -20.5059 -21.2025 49.5659 -8.2338 49.5672 26.4704 GPRESSURE: 4020600 123.741 96.8288 -65.2963 -53.5498 12.3717 13.629 35.6548 73.984 84.1224 PRESSAVG: 4020600 -37.8546 -15.9306 -4.82174 -15.9306 30.1984 76.9108 -4.8218 76.9108 -24.7824 GPRESSAVG: 4020600 -38.1883 -14.643 -3.95353 -18.0686 31.0446 74.8583 -4.24776 79.6785 -25.4252 TIMING: 4020600 CPU: 12091.4, 0.00300249/step Wall: 12091.4, 0.00300249/step, 0.816845 hours remaining, 210.480469 MB of memory in use. ENERGY: 4020600 754.8324 2080.3482 1927.0022 106.8465 -206116.0357 17789.1736 0.0000 0.0000 34329.2940 -149128.5388 299.8063 -183457.8329 -149038.3753 299.6004 40.6606 73.4118 557004.7308 -10.8129 -10.8563 PRESSURE: 4020800 129.142 174.179 -119.024 174.179 95.3016 40.0868 -119.024 40.0897 247.364 GPRESSURE: 4020800 157.705 154.209 -147.167 231.047 169.682 9.7237 -74.9599 92.7201 242.876 PRESSAVG: 4020800 -3.08033 -0.910004 22.1756 -0.909916 29.8773 22.2449 22.1755 22.2451 -17.1664 GPRESSAVG: 4020800 -1.56795 -0.503727 22.0441 -0.521263 28.9758 23.1263 23.2273 21.0706 -17.5386 TIMING: 4020800 CPU: 12092, 0.00299062/step Wall: 12092, 0.00299062/step, 0.813448 hours remaining, 210.480469 MB of memory in use. ENERGY: 4020800 767.3066 2123.7918 1948.6346 106.4182 -206449.4776 17978.5207 0.0000 0.0000 34284.4420 -149240.3637 299.4146 -183524.8057 -149139.4075 299.3051 157.2690 190.0874 555436.4113 3.2102 3.2897 PRESSURE: 4021000 108.736 42.2717 20.2917 42.2723 -63.8677 -64.8231 20.2927 -64.8232 305.107 GPRESSURE: 4021000 124.212 9.94828 58.9182 25.6636 12.4959 -72.016 60.4171 -116.621 304.874 PRESSAVG: 4021000 -26.2213 -34.7724 -2.27007 -34.7724 48.6017 20.0988 -2.27002 20.0989 -1.78348 GPRESSAVG: 4021000 -28.135 -35.2033 -3.63185 -35.345 49.8723 21.1215 -2.9076 17.0061 -1.33586 TIMING: 4021000 CPU: 12092.6, 0.00295115/step Wall: 12092.6, 0.00295115/step, 0.802549 hours remaining, 210.480469 MB of memory in use. ENERGY: 4021000 759.6686 2070.3016 1939.5219 105.3690 -206555.8681 18037.6298 0.0000 0.0000 34493.1331 -149150.2441 301.2371 -183643.3772 -149046.0366 299.5733 116.6584 147.1941 556452.1025 6.8656 6.8005 PRESSURE: 4021200 -175.236 58.2091 10.4551 58.2087 -168.36 -43.5512 10.4549 -43.5518 -91.1488 GPRESSURE: 4021200 -140.17 164.184 23.2097 -25.9469 -72.7272 -27.1207 1.51149 47.8978 -117.923 PRESSAVG: 4021200 -52.3185 -16.3823 -1.38438 -16.3823 70.5441 27.126 -1.38442 27.126 2.71635 GPRESSAVG: 4021200 -51.4869 -18.4611 -1.96832 -17.1297 70.8 26.3859 -1.00658 30.4329 1.75837 TIMING: 4021200 CPU: 12093.2, 0.00298939/step Wall: 12093.2, 0.00298939/step, 0.812782 hours remaining, 210.480469 MB of memory in use. ENERGY: 4021200 715.0063 2083.6397 1939.6829 114.9660 -206013.5841 17549.3909 0.0000 0.0000 34243.6023 -149367.2961 299.0579 -183610.8984 -149273.4363 299.5083 -144.9149 -110.2735 556930.3036 6.9806 7.0238 PRESSURE: 4021400 -176.166 -60.1607 -170.621 -60.1604 -4.52181 -61.1098 -170.62 -61.1092 77.3374 GPRESSURE: 4021400 -124.808 -37.6475 -195.272 -78.9839 36.7361 28.9078 -166.24 -135.688 84.3404 PRESSAVG: 4021400 19.7397 -29.6856 -10.7741 -29.6857 14.0054 13.5807 -10.7742 13.5806 5.01391 GPRESSAVG: 4021400 20.7541 -28.3864 -9.87477 -26.6808 12.5214 13.8965 -12.6752 11.5605 5.39821 TIMING: 4021400 CPU: 12093.8, 0.00296971/step Wall: 12093.8, 0.00296971/step, 0.807267 hours remaining, 210.480469 MB of memory in use. ENERGY: 4021400 749.6975 2101.7898 1936.8094 106.9631 -206319.1290 17843.1655 0.0000 0.0000 33913.4460 -149667.2578 296.1746 -183580.7037 -149575.4554 298.4325 -34.4502 -1.2438 557558.6982 12.9197 12.8912 PRESSURE: 4021600 -37.9924 -100.224 -90.0706 -100.224 29.7783 78.2742 -90.0703 78.2744 -153.229 GPRESSURE: 4021600 -58.1303 -88.3261 -136.142 -76.399 82.6791 45.9733 -3.33939 118.976 -93.1824 PRESSAVG: 4021600 32.9515 -6.24831 -4.77374 -6.24828 4.04016 15.6125 -4.7738 15.6126 -50.1536 GPRESSAVG: 4021600 33.2483 -6.7831 -3.93944 -6.29401 4.23017 17.4708 -3.78795 15.8751 -50.5315 TIMING: 4021600 CPU: 12094.4, 0.0029395/step Wall: 12094.4, 0.0029395/step, 0.79889 hours remaining, 210.480469 MB of memory in use. ENERGY: 4021600 765.5761 2044.6327 1926.4175 114.6975 -206323.6322 17875.2289 0.0000 0.0000 34035.9344 -149561.1451 297.2443 -183597.0795 -149471.8470 298.4456 -53.8145 -22.8778 557770.3214 -4.3873 -4.3510 PRESSURE: 4021800 -144.172 25.1455 -27.7698 25.1446 -93.2161 29.0856 -27.7712 29.0856 -128.707 GPRESSURE: 4021800 -101.446 -23.8793 15.6836 49.7487 -62.903 91.4306 -49.5747 -34.4652 -104.582 PRESSAVG: 4021800 -49.7913 -7.79395 -10.2821 -7.79395 13.1976 23.7998 -10.2822 23.7998 26.3518 GPRESSAVG: 4021800 -52.0804 -6.88544 -8.98202 -9.82531 13.7981 21.7019 -13.301 24.3401 27.975 TIMING: 4021800 CPU: 12095, 0.00295761/step Wall: 12095, 0.00295761/step, 0.803649 hours remaining, 210.480469 MB of memory in use. ENERGY: 4021800 730.1109 2043.7171 1938.4692 108.2553 -206259.4786 17643.2199 0.0000 0.0000 34222.5091 -149573.1971 298.8737 -183795.7062 -149475.2887 298.5571 -122.0317 -89.6438 558206.1167 -3.4140 -3.4358 PRESSURE: 4022000 48.3682 6.00868 -42.8135 6.01003 -292.803 -128.738 -42.8142 -128.739 -18.8428 GPRESSURE: 4022000 41.13 4.68781 -33.2722 5.06702 -239.805 -124.761 -38.0639 -93.6126 28.8642 PRESSAVG: 4022000 10.5619 38.2459 -33.2765 38.2458 -27.5859 7.76269 -33.2765 7.76269 25.8859 GPRESSAVG: 4022000 11.8454 36.9591 -36.1771 38.7815 -28.4815 9.27071 -29.2774 8.15863 25.5339 TIMING: 4022000 CPU: 12095.6, 0.00298595/step Wall: 12095.6, 0.00298595/step, 0.811184 hours remaining, 210.480469 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: 4022000 768.4714 2056.8712 1944.3127 117.4562 -206318.7053 17698.0224 0.0000 0.0000 34110.6077 -149622.9637 297.8964 -183733.5714 -149532.9266 298.1959 -87.7591 -56.6035 556870.9128 2.9540 2.9659 PRESSURE: 4022200 46.7974 -44.2074 -56.61 -44.2063 -144.005 17.9206 -56.6094 17.9206 -59.4824 GPRESSURE: 4022200 24.852 -83.4584 -32.5786 12.4857 -138.72 60.6166 -117.984 13.3416 46.9858 PRESSAVG: 4022200 7.56126 26.6874 5.41762 26.6873 -14.7862 4.40334 5.41772 4.40342 10.2269 GPRESSAVG: 4022200 7.44822 28.1448 5.78355 27.7731 -14.3812 2.24986 4.07183 5.07053 9.94636 TIMING: 4022200 CPU: 12096.2, 0.00298521/step Wall: 12096.2, 0.00298521/step, 0.810817 hours remaining, 210.480469 MB of memory in use. ENERGY: 4022200 755.2829 2089.2424 1940.1086 108.3342 -206335.6951 17776.1109 0.0000 0.0000 34071.5363 -149595.0798 297.5552 -183666.6161 -149499.6358 298.3479 -52.2300 -22.2939 556251.2003 1.0007 1.0044 PRESSURE: 4022400 -110.282 -2.48626 54.4444 -2.48504 -6.37641 112.544 54.4447 112.544 -154.998 GPRESSURE: 4022400 -123.277 67.1142 95.7612 -44.9339 76.314 108.273 38.282 178.541 -126.517 PRESSAVG: 4022400 -56.2268 -9.99748 -26.9117 -9.99744 -11.2375 4.44468 -26.9118 4.44468 25.7536 GPRESSAVG: 4022400 -57.1173 -11.5063 -25.2396 -9.15096 -10.92 3.19452 -27.3555 4.29887 25.7843 TIMING: 4022400 CPU: 12096.8, 0.00299314/step Wall: 12096.8, 0.00299314/step, 0.812804 hours remaining, 210.480469 MB of memory in use. ENERGY: 4022400 746.5437 2030.4839 1934.5754 116.4495 -206173.2331 17617.9365 0.0000 0.0000 34297.3971 -149429.8470 299.5277 -183727.2441 -149333.6400 298.3498 -90.5520 -57.8267 556801.8365 -13.9036 -14.0843 PRESSURE: 4022600 -197.72 -16.5148 -57.2441 -16.5136 -199.938 -24.0703 -57.2435 -24.0695 -21.7301 GPRESSURE: 4022600 -153.782 -52.2005 -101.935 2.37131 -170.009 -94.8354 -175.3 39.9414 4.43429 PRESSAVG: 4022600 5.98498 63.3468 29.9555 63.3467 16.7947 -8.22917 29.9555 -8.22902 17.4613 GPRESSAVG: 4022600 6.78107 64.5038 29.9785 61.7003 16.245 -6.45346 28.6472 -7.64878 17.4284 TIMING: 4022600 CPU: 12097.4, 0.002973/step Wall: 12097.4, 0.002973/step, 0.807169 hours remaining, 210.480469 MB of memory in use. ENERGY: 4022600 765.6725 2120.9269 1917.0400 115.3840 -206253.9202 17612.2418 0.0000 0.0000 34276.0949 -149446.5600 299.3417 -183722.6549 -149346.3569 299.0203 -139.7961 -106.4524 556650.6568 13.4137 13.4848 PRESSURE: 4022800 -75.143 -22.5268 -53.2747 -22.5262 -314.762 55.0475 -53.2736 55.047 -114.37 GPRESSURE: 4022800 -37.2883 -16.5686 -50.7869 -17.3321 -318.994 -42.1074 -16.6552 121.128 -56.464 PRESSAVG: 4022800 -65.3132 -22.8685 -14.7838 -22.8684 8.74123 -21.145 -14.7837 -21.145 17.3735 GPRESSAVG: 4022800 -64.9081 -24.4348 -13.9071 -22.2583 8.50683 -21.1076 -13.7435 -21.8412 17.6192 TIMING: 4022800 CPU: 12098, 0.00298953/step Wall: 12098, 0.00298953/step, 0.811492 hours remaining, 210.480469 MB of memory in use. ENERGY: 4022800 743.0557 2068.7889 1946.3363 109.4617 -205996.9356 17582.8770 0.0000 0.0000 34224.3432 -149322.0727 298.8897 -183546.4160 -149223.7928 298.6090 -168.0916 -137.5820 556503.3436 -13.0662 -12.9274 PRESSURE: 4023000 -293.699 28.6282 -31.0176 28.6291 -241.595 36.8939 -31.016 36.8938 -402.846 GPRESSURE: 4023000 -238.336 -44.6871 -59.578 148.042 -189.028 124.847 -58.7031 21.313 -415.772 PRESSAVG: 4023000 -62.665 -45.6724 -33.0625 -45.6723 -82.2333 -30.6825 -33.0626 -30.6824 61.6963 GPRESSAVG: 4023000 -62.6115 -46.8629 -36.7975 -45.6177 -81.191 -31.5767 -30.2465 -30.4932 60.89 TIMING: 4023000 CPU: 12098.5, 0.00295933/step Wall: 12098.5, 0.00295933/step, 0.80313 hours remaining, 210.480469 MB of memory in use. ENERGY: 4023000 768.9430 2042.0066 1943.2036 110.5399 -205997.0049 17429.8580 0.0000 0.0000 34233.9485 -149468.5054 298.9736 -183702.4539 -149368.0069 298.8595 -312.7132 -281.0455 556507.5601 -27.7340 -27.6375 PRESSURE: 4023200 -231.38 136.089 -100.945 136.09 12.3386 27.5617 -100.945 27.5596 -162.291 GPRESSURE: 4023200 -207.28 93.6404 -128.97 131.024 64.7299 -39.2884 -71.2574 117.439 -144.885 PRESSAVG: 4023200 36.8621 20.952 0.173478 20.9521 -34.8046 1.73777 0.173396 1.73764 29.3985 GPRESSAVG: 4023200 35.9599 22.5689 3.77272 21.8012 -34.2826 2.17256 -1.40978 2.37812 30.0043 TIMING: 4023200 CPU: 12099.1, 0.00297532/step Wall: 12099.1, 0.00297532/step, 0.807304 hours remaining, 210.480469 MB of memory in use. ENERGY: 4023200 745.9263 2102.5588 1917.0317 106.6142 -206122.8739 17506.7956 0.0000 0.0000 34212.3676 -149531.5797 298.7851 -183743.9473 -149444.5188 299.1876 -127.1107 -95.8115 555941.0119 10.4853 10.5605 PRESSURE: 4023400 94.9373 119.915 -137.849 119.915 -113.458 -90.6434 -137.851 -90.6448 -79.6004 GPRESSURE: 4023400 156.227 113.341 -151.394 110.683 -113.396 -96.861 -88.9304 -64.5398 -49.4911 PRESSAVG: 4023400 -23.4297 2.07486 1.63625 2.07492 -52.8458 -38.6953 1.63632 -38.6952 39.6468 GPRESSAVG: 4023400 -21.2377 2.5455 -0.540307 0.543763 -54.1679 -38.8274 1.30405 -38.8175 39.0653 TIMING: 4023400 CPU: 12099.7, 0.00298606/step Wall: 12099.7, 0.00298606/step, 0.81005 hours remaining, 210.480469 MB of memory in use. ENERGY: 4023400 759.3700 2062.0417 1955.3883 110.6542 -206084.9403 17675.9144 0.0000 0.0000 33961.7902 -149559.7816 296.5968 -183521.5717 -149463.6813 298.7524 -32.7071 -2.2200 556169.6940 -12.2096 -12.1134 PRESSURE: 4023600 -72.8863 -49.4507 -57.1741 -49.4515 -117.285 -168.177 -57.1742 -168.176 208.889 GPRESSURE: 4023600 -14.9827 44.4126 -37.1889 -4.51946 -77.3635 -163.682 -67.0267 -115.646 210.439 PRESSAVG: 4023600 60.1527 -2.24288 11.929 -2.24291 -35.3298 -24.8255 11.9291 -24.8254 35.5986 GPRESSAVG: 4023600 59.6803 -3.62672 13.639 -0.35241 -34.3581 -24.4421 9.63568 -26.0415 34.8739 TIMING: 4023600 CPU: 12100.3, 0.00298196/step Wall: 12100.3, 0.00298196/step, 0.808775 hours remaining, 210.480469 MB of memory in use. ENERGY: 4023600 762.0471 2073.1481 1960.8655 113.7637 -206459.6189 17803.7825 0.0000 0.0000 34132.4833 -149613.5288 298.0875 -183746.0121 -149526.1457 297.8012 6.2392 39.3642 556577.6611 20.1405 20.0654 PRESSURE: 4023800 113.589 -75.8561 115.412 -75.856 307.495 79.4743 115.41 79.4746 216.231 GPRESSURE: 4023800 200.127 -218.311 74.0424 -25.4672 307.373 -1.766 100.346 24.0778 229.022 PRESSAVG: 4023800 -4.89704 1.29837 43.0019 1.29839 -13.9693 51.8954 43.0019 51.8955 36.9772 GPRESSAVG: 4023800 -6.04203 2.76763 41.6919 2.57367 -14.0535 50.826 46.0263 51.4812 38.2039 TIMING: 4023800 CPU: 12100.9, 0.00297564/step Wall: 12100.9, 0.00297564/step, 0.806896 hours remaining, 210.480469 MB of memory in use. ENERGY: 4023800 738.2999 2064.8228 1952.1048 127.3399 -206866.8840 18132.1063 0.0000 0.0000 34154.2586 -149697.9519 298.2776 -183852.2105 -149604.5972 298.3089 212.4382 245.5073 556642.8723 6.0369 6.0361 PRESSURE: 4024000 318.896 -121.277 -25.7849 -121.277 213.224 120.934 -25.7845 120.933 -48.3313 GPRESSURE: 4024000 330.237 -151.408 -57.0051 -20.0481 266.674 25.3719 -14.581 115.876 -8.25599 PRESSAVG: 4024000 -52.9968 -85.4224 18.14 -85.4224 55.781 7.43404 18.14 7.43399 -22.3485 GPRESSAVG: 4024000 -53.1966 -83.8588 17.1624 -87.586 56.0571 5.97566 18.5352 6.89344 -22.4101 TIMING: 4024000 CPU: 12101.5, 0.00297609/step Wall: 12101.5, 0.00297609/step, 0.80685 hours remaining, 210.480469 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: 4024000 739.6661 2073.6737 1952.9259 125.0134 -206752.0665 18047.0972 0.0000 0.0000 34067.1888 -149746.5015 297.5172 -183813.6903 -149656.5757 297.6448 161.2627 196.2185 556267.4628 -6.5214 -6.5165 PRESSURE: 4024200 -104.88 -84.8752 -198.091 -84.8753 -147.104 187.003 -198.091 187.001 51.3741 GPRESSURE: 4024200 -43.7133 40.2337 -225.81 -158.039 -132.154 154.064 -190.28 213.289 71.6945 PRESSAVG: 4024200 16.1377 -42.9694 -13.7494 -42.9694 11.5 34.8917 -13.7493 34.8917 -34.5689 GPRESSAVG: 4024200 15.5883 -45.3759 -14.2752 -42.0228 11.6124 37.2656 -12.3085 35.6763 -34.2002 TIMING: 4024200 CPU: 12102.1, 0.00303235/step Wall: 12102.1, 0.00303235/step, 0.821936 hours remaining, 210.480469 MB of memory in use. ENERGY: 4024200 738.4441 2034.3668 1942.5477 107.1131 -206590.3698 17766.8464 0.0000 0.0000 34176.9973 -149824.0543 298.4762 -184001.0516 -149723.0693 297.1635 -66.8700 -34.7243 557411.1885 -2.3104 -2.3332 LDB: ============= START OF LOAD BALANCING ============== 12105.7 LDB: ============== END OF LOAD BALANCING =============== 12105.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12105.7 LDB: ============= START OF LOAD BALANCING ============== 12106 LDB: Largest compute 4773 load 0.027418 is 23.2% of average load 0.118145 LDB: Average compute 0.001718 is 1.5% of average load 0.118145 LDB: TIME 12106 LOAD: AVG 0.118145 MAX 0.209721 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.738 MB LDB: TIME 12106 LOAD: AVG 0.118145 MAX 0.209721 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.941 MB LDB: TIME 12106 LOAD: AVG 0.118145 MAX 0.209721 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.941 MB LDB: ============== END OF LOAD BALANCING =============== 12106 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12106 PRESSURE: 4024400 -271.217 6.83494 -116.798 6.83628 -372.075 84.2574 -116.798 84.2581 -269.035 GPRESSURE: 4024400 -270.672 -46.5234 -55.7238 -9.88813 -291.85 76.4027 -106.259 114.285 -261.81 PRESSAVG: 4024400 31.6429 19.5469 -29.6311 19.547 -32.2515 45.2092 -29.6311 45.2092 -83.9077 GPRESSAVG: 4024400 32.5404 18.642 -26.005 19.3419 -31.3727 45.6112 -32.5488 44.2306 -85.9153 TIMING: 4024400 CPU: 12102.7, 0.00308111/step Wall: 12102.7, 0.00308111/step, 0.834982 hours remaining, 211.445312 MB of memory in use. ENERGY: 4024400 764.5846 2082.0666 1947.8234 100.6953 -205715.8985 17334.9846 0.0000 0.0000 33836.7630 -149648.9810 295.5049 -183485.7440 -149564.0742 297.1720 -304.1088 -274.7774 558282.6887 -28.1721 -28.2492 PRESSURE: 4024600 -51.2388 22.4829 -126.484 22.4825 136.714 -12.5559 -126.483 -12.5546 209.027 GPRESSURE: 4024600 10.404 48.9119 -122.437 -117.145 141 -76.9709 -46.8564 20.5561 231.925 PRESSAVG: 4024600 1.47947 -55.862 -24.2528 -55.8621 -5.23878 37.1043 -24.2528 37.1041 41.0601 GPRESSAVG: 4024600 1.58955 -53.6456 -27.7557 -58.111 -6.04064 33.9349 -22.2779 37.5786 42.3305 TIMING: 4024600 CPU: 12103.3, 0.00297227/step Wall: 12103.3, 0.00297227/step, 0.805321 hours remaining, 211.511719 MB of memory in use. ENERGY: 4024600 743.2204 2115.2927 1911.7900 121.6382 -206564.6393 18106.5229 0.0000 0.0000 33975.0768 -149591.0983 296.7128 -183566.1751 -149502.9727 297.8831 98.1674 127.7764 558726.1411 12.4336 12.6265 PRESSURE: 4024800 64.2049 -67.1628 -32.0042 -67.1632 321.196 -89.4349 -32.0042 -89.4339 190.134 GPRESSURE: 4024800 90.7654 -69.4116 -35.1977 -32.9386 340.048 -47.4756 -20.8498 -41.716 245.925 PRESSAVG: 4024800 21.1166 -19.146 -28.3769 -19.146 -31.6477 -17.3529 -28.3768 -17.353 32.1662 GPRESSAVG: 4024800 21.6741 -21.1685 -25.1663 -15.699 -31.7565 -15.0355 -31.3533 -17.4069 31.8022 TIMING: 4024800 CPU: 12103.9, 0.00297924/step Wall: 12103.9, 0.00297924/step, 0.807042 hours remaining, 211.511719 MB of memory in use. ENERGY: 4024800 762.7436 2046.6145 1950.6772 103.0253 -206724.7514 18192.3796 0.0000 0.0000 34171.3690 -149497.9422 298.4271 -183669.3113 -149402.9298 297.9418 191.8450 225.5795 557449.4431 7.2117 7.2399 PRESSURE: 4025000 -215.13 230.034 -70.6797 230.034 24.0528 -167.8 -70.6798 -167.799 272.147 GPRESSURE: 4025000 -136.268 266.453 -48.4207 177.168 63.0819 -236.312 -32.1118 -114.657 251.536 PRESSAVG: 4025000 43.7188 -3.24186 2.19392 -3.24184 -26.9504 3.58214 2.19399 3.58223 17.9659 GPRESSAVG: 4025000 43.1819 -2.54778 0.371063 -5.90815 -26.7802 2.21234 4.4783 2.85716 18.4827 TIMING: 4025000 CPU: 12104.5, 0.00297895/step Wall: 12104.5, 0.00297895/step, 0.806798 hours remaining, 211.511719 MB of memory in use. ENERGY: 4025000 725.8349 2137.2637 1933.3893 119.5324 -206465.0044 17910.5216 0.0000 0.0000 34212.1523 -149426.3101 298.7832 -183638.4625 -149336.3590 298.0903 27.0232 59.4500 557765.6473 11.5781 11.6281 PRESSURE: 4025200 78.0876 5.75889 -28.5093 5.75928 -76.9464 -189.17 -28.5103 -189.171 8.91592 GPRESSURE: 4025200 128.888 -4.90332 40.4597 88.2288 -31.8659 -206.86 -56.2012 -175.977 16.3168 PRESSAVG: 4025200 23.8524 -14.6847 -0.326491 -14.6847 -22.6891 -69.5451 -0.326532 -69.5451 -22.6051 GPRESSAVG: 4025200 25.3001 -17.9203 0.943992 -13.5251 -22.9047 -68.8771 -1.2033 -68.2935 -23.7231 TIMING: 4025200 CPU: 12105.1, 0.00299346/step Wall: 12105.1, 0.00299346/step, 0.810563 hours remaining, 211.511719 MB of memory in use. ENERGY: 4025200 765.4286 2068.8204 1960.6357 118.1734 -206302.9727 17917.1360 0.0000 0.0000 34207.7463 -149265.0322 298.7448 -183472.7785 -149178.3189 299.3644 3.3524 37.7797 559718.9519 -7.1473 -7.1092 PRESSURE: 4025400 -482.458 -58.9571 -87.6361 -58.9577 -199.706 -94.2989 -87.6357 -94.2992 -211.215 GPRESSURE: 4025400 -414.018 -57.7169 -85.2329 -28.4504 -244.84 -127.339 -28.33 -111.512 -131.093 PRESSAVG: 4025400 -25.8817 5.76971 5.35899 5.7696 -12.4863 -5.19807 5.3591 -5.19791 30.497 GPRESSAVG: 4025400 -27.5184 6.50451 6.36075 7.64388 -12.1697 -4.77102 6.25937 -6.77674 31.8871 TIMING: 4025400 CPU: 12105.7, 0.00296805/step Wall: 12105.7, 0.00296805/step, 0.803517 hours remaining, 211.511719 MB of memory in use. ENERGY: 4025400 776.9351 2160.5894 1953.0071 106.7158 -206046.5938 17586.3602 0.0000 0.0000 34338.4032 -149124.5830 299.8858 -183462.9862 -149028.1072 299.5417 -297.7928 -263.3169 560055.7827 -2.6237 -2.6004 PRESSURE: 4025600 -353.844 143.871 -40.2369 143.871 -78.4857 -44.9111 -40.2367 -44.9105 -131.302 GPRESSURE: 4025600 -349.687 190.602 -95.5884 32.9468 -74.5977 -31.7164 51.4175 116.091 -50.7121 PRESSAVG: 4025600 -4.48748 19.4376 3.07013 19.4377 -14.0366 -8.61217 3.07017 -8.61209 48.2604 GPRESSAVG: 4025600 -4.10377 21.1286 3.20122 18.7271 -13.0451 -9.25466 1.67253 -6.12701 47.5515 TIMING: 4025600 CPU: 12106.3, 0.00297406/step Wall: 12106.3, 0.00297406/step, 0.804978 hours remaining, 211.511719 MB of memory in use. ENERGY: 4025600 736.0764 2108.7858 1949.5572 98.3868 -205812.2928 17530.0195 0.0000 0.0000 34183.6496 -149205.8174 298.5343 -183389.4670 -149107.5745 299.6222 -187.8772 -158.3322 559483.3957 9.9121 10.1342 PRESSURE: 4025800 -150.67 -129.604 22.4469 -129.605 -45.7162 -137.559 22.4485 -137.561 -136.475 GPRESSURE: 4025800 -102.635 -125.649 -51.099 -102.182 -6.06292 -74.2608 71.2606 -109.415 -124.978 PRESSAVG: 4025800 12.6511 -47.5913 44.7993 -47.5914 -28.0958 -70.0488 44.7994 -70.0488 57.706 GPRESSAVG: 4025800 12.5591 -48.5898 44.2681 -47.4083 -28.9287 -68.7878 45.6797 -73.0178 58.3949 TIMING: 4025800 CPU: 12106.9, 0.00297297/step Wall: 12106.9, 0.00297297/step, 0.80452 hours remaining, 211.511719 MB of memory in use. ENERGY: 4025800 741.3566 2176.5034 1960.9065 117.1999 -206308.8028 17523.3246 0.0000 0.0000 34488.4576 -149301.0543 301.1963 -183789.5119 -149201.0872 299.6420 -110.9539 -77.8921 556605.2031 14.0871 14.0084 PRESSURE: 4026000 339.614 -78.437 34.6142 -78.4383 25.8335 147.777 34.6147 147.775 258.508 GPRESSURE: 4026000 357.952 -81.1588 70.1013 -70.9225 59.3408 168.789 36.8353 153.457 299.871 PRESSAVG: 4026000 -1.85055 -26.4016 34.4077 -26.4015 -14.0281 -8.33826 34.4078 -8.3382 21.1323 GPRESSAVG: 4026000 -1.72993 -26.1141 32.4303 -24.8594 -13.6802 -8.00315 35.1126 -6.54027 20.9595 TIMING: 4026000 CPU: 12107.5, 0.00295826/step Wall: 12107.5, 0.00295826/step, 0.800372 hours remaining, 211.511719 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: 4026000 769.4928 2116.9609 1925.7230 108.0001 -206652.2514 18212.4311 0.0000 0.0000 34161.2357 -149358.4079 298.3386 -183519.6436 -149261.8266 298.3774 207.9851 239.0545 556541.9395 1.7512 1.8498 PRESSURE: 4026200 56.2843 -42.2178 -106.917 -42.2174 -235.381 -52.9548 -106.918 -52.9558 -42.1903 GPRESSURE: 4026200 101.935 -144.763 -83.553 -72.9554 -257.837 -149.344 -127.5 -2.41514 20.1976 PRESSAVG: 4026200 -10.5907 26.8139 23.7317 26.8139 -54.3754 41.4869 23.7317 41.4868 21.5216 GPRESSAVG: 4026200 -9.88468 26.7759 26.3393 24.877 -55.0283 42.7089 22.3659 41.3227 21.3562 TIMING: 4026200 CPU: 12108.1, 0.00294981/step Wall: 12108.1, 0.00294981/step, 0.797923 hours remaining, 211.511719 MB of memory in use. ENERGY: 4026200 759.5830 2095.5156 1979.7659 106.7645 -206022.6301 17528.7340 0.0000 0.0000 34343.5303 -149208.7369 299.9306 -183552.2672 -149121.0588 299.1467 -73.7622 -45.2347 556981.0926 -14.4815 -14.5189 PRESSURE: 4026400 61.1303 -71.1689 -25.6552 -71.1691 275.053 -33.7169 -25.6538 -33.7179 181.653 GPRESSURE: 4026400 101.992 -42.69 -25.0617 -54.0656 295.702 -83.5404 -136.954 28.5351 218.624 PRESSAVG: 4026400 34.2348 -13.8803 -20.8747 -13.8804 -28.6213 8.84576 -20.8746 8.84585 -11.6774 GPRESSAVG: 4026400 33.6521 -12.1171 -21.7058 -13.4636 -28.2704 7.03434 -19.5919 9.17115 -11.3182 TIMING: 4026400 CPU: 12108.7, 0.00296824/step Wall: 12108.7, 0.00296824/step, 0.802745 hours remaining, 211.511719 MB of memory in use. ENERGY: 4026400 751.8670 2131.2501 1913.0331 107.5896 -206529.4754 17976.5447 0.0000 0.0000 34290.5020 -149358.6889 299.4675 -183649.1910 -149267.5284 298.7701 172.6122 205.4395 557099.1210 -2.0213 -1.9788 PRESSURE: 4026600 -169.652 101.327 -41.0473 101.326 -68.7484 -148.837 -41.0468 -148.836 167.112 GPRESSURE: 4026600 -118.308 54.807 -79.1403 89.5143 -23.0661 -123.472 -44.3372 -134.263 171.837 PRESSAVG: 4026600 38.3886 75.9761 -1.22068 75.9761 -23.352 18.0476 -1.22074 18.0476 24.3872 GPRESSAVG: 4026600 38.9913 74.7808 -1.7925 74.0967 -22.7415 18.7506 -1.79728 15.433 23.251 TIMING: 4026600 CPU: 12109.3, 0.00296055/step Wall: 12109.3, 0.00296055/step, 0.800501 hours remaining, 211.511719 MB of memory in use. ENERGY: 4026600 735.1106 2086.2080 1938.9320 109.0189 -206539.8240 17972.5718 0.0000 0.0000 34290.8434 -149407.1392 299.4705 -183697.9826 -149313.7890 299.0001 -23.7629 10.1541 559016.5934 13.1413 13.1669 PRESSURE: 4026800 -269.533 17.2861 -195.374 17.2878 -319.513 -54.7018 -195.374 -54.7038 -144.27 GPRESSURE: 4026800 -246.979 16.8029 -185.86 27.9924 -289.636 69.6941 -220.835 -135.043 -100.751 PRESSAVG: 4026800 -22.4931 -44.7141 -29.1036 -44.714 -29.4604 11.4895 -29.1036 11.4895 22.782 GPRESSAVG: 4026800 -22.4091 -44.4228 -28.2604 -43.5512 -29.5778 13.4661 -29.5173 12.4523 22.815 TIMING: 4026800 CPU: 12109.9, 0.0029735/step Wall: 12109.9, 0.0029735/step, 0.803836 hours remaining, 211.511719 MB of memory in use. ENERGY: 4026800 758.7155 2107.6936 1939.4243 107.7006 -205550.1642 17268.5661 0.0000 0.0000 34036.6277 -149331.4365 297.2503 -183368.0641 -149234.8573 298.1100 -244.4387 -212.4554 557188.9699 -9.7239 -9.7240 PRESSURE: 4027000 -261.942 -289.784 -145.591 -289.785 -303.796 120.443 -145.59 120.443 -279.751 GPRESSURE: 4027000 -262.717 -294.053 -95.8199 -222.248 -259.446 -17.1437 -156.985 211.761 -238.278 PRESSAVG: 4027000 -66.5272 30.1673 -61.2411 30.1673 -16.2659 48.3741 -61.2411 48.3741 -18.4535 GPRESSAVG: 4027000 -66.7423 32.6263 -62.1619 29.4083 -15.3637 46.0148 -59.2847 49.7196 -18.9936 TIMING: 4027000 CPU: 12110.5, 0.00296385/step Wall: 12110.5, 0.00296385/step, 0.801063 hours remaining, 211.511719 MB of memory in use. ENERGY: 4027000 781.0978 2103.4932 1920.2979 100.7553 -206135.6199 17404.8318 0.0000 0.0000 34511.6505 -149313.4935 301.3988 -183825.1440 -149216.0222 298.6718 -281.8296 -253.4802 556720.0897 -33.7489 -33.6999 PRESSURE: 4027200 101.856 -30.2521 -63.1959 -30.2523 -48.8621 90.6239 -63.1951 90.6255 -80.4997 GPRESSURE: 4027200 120.723 -25.4171 -19.262 6.34455 -55.8434 99.825 -63.4696 -24.6365 -5.32865 PRESSAVG: 4027200 30.2247 -55.3931 -3.10409 -55.3931 4.99498 48.2352 -3.10416 48.2352 -0.165245 GPRESSAVG: 4027200 30.9262 -58.8091 -2.91729 -52.6057 4.42879 49.2912 -4.50315 46.4119 -0.31667 TIMING: 4027200 CPU: 12111.1, 0.0029616/step Wall: 12111.1, 0.0029616/step, 0.800291 hours remaining, 211.511719 MB of memory in use. ENERGY: 4027200 730.9417 2114.1673 1914.0633 109.2962 -206013.0890 17578.9027 0.0000 0.0000 34191.3956 -149374.3222 298.6020 -183565.7178 -149276.4468 299.3567 -9.1686 19.8505 556771.0397 11.6848 11.6794 PRESSURE: 4027400 179.305 51.1162 -57.0696 51.1174 137.302 173.156 -57.0695 173.158 -40.1966 GPRESSURE: 4027400 205.733 44.9725 -152.122 121.659 115.643 149.154 19.0552 103.085 50.0616 PRESSAVG: 4027400 7.83316 -62.8081 24.5235 -62.8081 47.5693 -16.6659 24.5234 -16.6658 -18.6268 GPRESSAVG: 4027400 7.11405 -60.8401 23.5346 -63.4138 46.0499 -17.2268 25.7494 -15.2572 -17.1175 TIMING: 4027400 CPU: 12111.7, 0.00294553/step Wall: 12111.7, 0.00294553/step, 0.795783 hours remaining, 211.511719 MB of memory in use. ENERGY: 4027400 762.7637 2129.6604 1929.3920 106.7989 -206395.8509 18000.8751 0.0000 0.0000 34195.3022 -149271.0585 298.6361 -183466.3608 -149169.5640 298.7265 92.1369 123.8125 556692.3832 12.2586 12.0155 PRESSURE: 4027600 12.2772 -5.45621 31.9438 -5.45676 89.8061 2.05738 31.9428 2.05717 -107.297 GPRESSURE: 4027600 29.029 55.6387 67.8843 9.73668 110.504 -28.6446 104.649 33.2065 -42.6406 PRESSAVG: 4027600 23.429 -7.20178 24.8199 -7.20181 47.5139 43.0578 24.8199 43.0577 -54.506 GPRESSAVG: 4027600 23.0428 -4.98828 26.6461 -8.64768 48.8426 41.4117 24.3755 41.6983 -55.2144 TIMING: 4027600 CPU: 12112.2, 0.00297707/step Wall: 12112.2, 0.00297707/step, 0.80414 hours remaining, 211.511719 MB of memory in use. ENERGY: 4027600 779.1174 2136.1421 1920.4491 105.4844 -206251.4441 17882.8976 0.0000 0.0000 33975.6390 -149451.7144 296.7177 -183427.3534 -149344.4286 299.0210 -1.7377 32.2976 556498.3805 5.4790 5.5570 PRESSURE: 4027800 119.009 114.175 -64.4819 114.174 41.5646 -39.4674 -64.4811 -39.4679 264.508 GPRESSURE: 4027800 189.453 52.4974 -147.58 213.229 72.335 11.8755 -19.4313 -103.097 253.792 PRESSAVG: 4027800 28.7311 9.3648 -29.1233 9.36474 -72.8624 -24.0068 -29.1235 -24.0069 56.4754 GPRESSAVG: 4027800 28.643 5.26531 -29.9344 10.4511 -72.206 -24.627 -27.5478 -21.2273 56.3125 TIMING: 4027800 CPU: 12112.8, 0.00296134/step Wall: 12112.8, 0.00296134/step, 0.799726 hours remaining, 211.511719 MB of memory in use. ENERGY: 4027800 697.5696 2084.7495 1925.9412 120.9270 -206508.6726 17944.9323 0.0000 0.0000 34457.5160 -149277.0369 300.9261 -183734.5529 -149175.8783 299.2351 141.6941 171.8599 557352.4110 4.1147 4.2498 PRESSURE: 4028000 -164.588 6.60008 56.607 6.60005 -38.3292 18.7566 56.6061 18.7561 108.563 GPRESSURE: 4028000 -127.972 -25.6875 15.4857 63.4161 -19.8021 69.482 85.1153 -17.3566 144.166 PRESSAVG: 4028000 9.71566 20.5547 26.9408 20.5548 -12.4532 52.8415 26.9407 52.8416 1.98114 GPRESSAVG: 4028000 10.1832 22.1405 27.7177 19.2724 -13.2521 55.1489 25.2979 51.8257 2.2962 TIMING: 4028000 CPU: 12113.4, 0.00296489/step Wall: 12113.4, 0.00296489/step, 0.800521 hours remaining, 211.511719 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: 4028000 745.5213 2043.8740 1951.3252 117.2196 -206028.8777 17756.1666 0.0000 0.0000 34176.5770 -149238.1940 298.4725 -183414.7711 -149138.5565 299.2544 -31.4515 -1.2027 557160.8662 -0.2521 -0.2576 PRESSURE: 4028200 -60.4265 -112.668 44.4158 -112.668 -51.0161 192.153 44.4166 192.153 -45.2251 GPRESSURE: 4028200 -12.3946 -175.377 -9.44177 -71.2583 -0.674344 48.6269 87.2853 265.218 -44.437 PRESSAVG: 4028200 -2.83472 23.8619 -4.69808 23.8619 34.8317 -11.8656 -4.698 -11.8656 1.11329 GPRESSAVG: 4028200 -2.31198 24.1307 -5.37407 24.1084 34.1484 -14.3204 -5.23997 -11.7049 1.29321 TIMING: 4028200 CPU: 12114, 0.0029707/step Wall: 12114, 0.0029707/step, 0.801924 hours remaining, 211.511719 MB of memory in use. ENERGY: 4028200 769.6404 2085.8235 1946.5991 108.1983 -206230.8310 17898.0594 0.0000 0.0000 34248.0989 -149174.4113 299.0972 -183422.5102 -149073.2518 300.0200 -52.2226 -19.1686 559424.8363 11.0368 11.0432 LDB: ============= START OF LOAD BALANCING ============== 12117.5 LDB: ============== END OF LOAD BALANCING =============== 12117.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12117.5 LDB: ============= START OF LOAD BALANCING ============== 12117.8 LDB: Largest compute 4773 load 0.028147 is 23.8% of average load 0.118165 LDB: Average compute 0.001723 is 1.5% of average load 0.118165 LDB: TIME 12117.8 LOAD: AVG 0.118165 MAX 0.206768 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.973 MB LDB: TIME 12117.8 LOAD: AVG 0.118165 MAX 0.206768 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.977 MB LDB: TIME 12117.8 LOAD: AVG 0.118165 MAX 0.206768 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.977 MB LDB: ============== END OF LOAD BALANCING =============== 12117.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12117.9 PRESSURE: 4028400 -325.753 116.761 -176.469 116.762 154.471 -26.8192 -176.47 -26.8177 67.8133 GPRESSURE: 4028400 -280.71 51.7131 -155.227 158.282 125.952 -20.2305 -239.378 35.1102 140.329 PRESSAVG: 4028400 22.3685 8.39273 -50.8368 8.39286 -60.6023 -32.926 -50.8368 -32.9261 49.7712 GPRESSAVG: 4028400 22.9447 7.70536 -48.9709 9.56836 -61.3445 -33.1306 -51.4507 -33.32 49.9062 TIMING: 4028400 CPU: 12114.6, 0.00304362/step Wall: 12114.6, 0.00304362/step, 0.821439 hours remaining, 208.429688 MB of memory in use. ENERGY: 4028400 796.5597 2076.2712 1961.0441 100.9179 -206279.9503 18063.6428 0.0000 0.0000 34158.9058 -149122.6089 298.3182 -183281.5147 -149019.0174 298.1533 -34.4896 -4.8098 559662.3851 3.8458 3.8355 PRESSURE: 4028600 5.9909 69.6395 -1.17026 69.6387 -17.0156 -6.5577 -1.16984 -6.55664 -215.652 GPRESSURE: 4028600 7.76256 146.2 16.0147 61.6221 61.2665 -52.3664 27.9372 48.6014 -189.527 PRESSAVG: 4028600 -30.7029 38.7268 4.29184 38.7268 20.3322 -39.3373 4.29185 -39.3373 37.9853 GPRESSAVG: 4028600 -30.6111 37.8842 3.27854 37.2441 20.7064 -38.8714 5.53635 -40.8553 37.3422 TIMING: 4028600 CPU: 12115.2, 0.00299548/step Wall: 12115.2, 0.00299548/step, 0.808281 hours remaining, 208.632812 MB of memory in use. ENERGY: 4028600 734.4729 2065.7968 1927.7268 116.2974 -206020.2609 17648.2369 0.0000 0.0000 34141.5709 -149386.1592 298.1668 -183527.7301 -149285.5999 298.6015 -75.5590 -40.1661 558728.7038 9.2049 9.1458 PRESSURE: 4028800 -503.31 34.1027 1.91547 34.101 -372.856 118.645 1.91571 118.645 -11.4352 GPRESSURE: 4028800 -417.423 9.43641 -43.6221 87.1987 -340.916 169.372 -140.786 46.9729 -14.1032 PRESSAVG: 4028800 -49.9 1.22935 19.6319 1.22934 -22.6014 -31.7181 19.6319 -31.718 72.3527 GPRESSAVG: 4028800 -50.7002 1.4421 18.549 2.08855 -23.68 -31.1954 19.6299 -30.5101 73.6283 TIMING: 4028800 CPU: 12115.8, 0.00298541/step Wall: 12115.8, 0.00298541/step, 0.805397 hours remaining, 208.632812 MB of memory in use. ENERGY: 4028800 797.5202 2057.7364 1947.0631 117.5269 -205995.1508 17562.9248 0.0000 0.0000 34257.1421 -149255.2374 299.1761 -183512.3794 -149155.8479 298.7675 -295.8670 -257.4808 559525.9079 -0.0496 -0.2507 PRESSURE: 4029000 99.7861 -35.993 60.7089 -35.9932 -156.231 145.136 60.709 145.137 -71.6122 GPRESSURE: 4029000 106.348 -21.7872 -13.3684 -62.6897 -110.071 94.1985 83.1223 72.734 -28.6069 PRESSAVG: 4029000 -5.77012 31.0655 -3.3682 31.0655 -55.8856 50.1304 -3.36819 50.1303 51.7093 GPRESSAVG: 4029000 -5.47024 33.0588 -4.06553 30.8123 -55.514 48.2211 -2.50543 51.7536 51.3746 TIMING: 4029000 CPU: 12116.4, 0.00299719/step Wall: 12116.4, 0.00299719/step, 0.808409 hours remaining, 208.632812 MB of memory in use. ENERGY: 4029000 745.2335 2124.5015 1915.1739 112.0118 -206128.7788 17763.5397 0.0000 0.0000 34170.8001 -149297.5182 298.4221 -183468.3183 -149203.8576 298.3827 -42.6857 -10.7767 558169.8298 -3.3155 -3.2032 PRESSURE: 4029200 -142.639 -6.28481 -92.5277 -6.2844 -235.366 209.711 -92.5286 209.713 3.20219 GPRESSURE: 4029200 -115.88 -25.2312 -6.97403 13.1604 -173.905 191.603 -126.324 131.684 6.66817 PRESSAVG: 4029200 -18.2228 10.2914 6.35982 10.2914 15.0898 -22.2562 6.35974 -22.2562 13.3844 GPRESSAVG: 4029200 -17.8207 9.24329 7.02187 11.1798 15.3225 -19.5108 4.32652 -23.4279 13.0548 TIMING: 4029200 CPU: 12117, 0.0030052/step Wall: 12117, 0.0030052/step, 0.810402 hours remaining, 208.632812 MB of memory in use. ENERGY: 4029200 787.2567 2138.2357 1940.9568 103.3167 -205848.4486 17646.9133 0.0000 0.0000 34104.2255 -149127.5438 297.8407 -183231.7693 -149032.0388 299.2058 -124.9343 -94.3724 558476.4499 3.4171 3.5189 PRESSURE: 4029400 -98.6067 76.8005 -59.2564 76.8017 -78.7967 45.1428 -59.2575 45.1437 -268.306 GPRESSURE: 4029400 -116.969 82.5458 -129.809 94.8584 -51.2303 39.1369 -54.3366 19.7063 -182.161 PRESSAVG: 4029400 -6.71273 -27.4975 20.1891 -27.4975 -7.15374 85.7375 20.189 85.7374 -35.6944 GPRESSAVG: 4029400 -6.56685 -26.537 19.8698 -28.0087 -6.3415 84.7358 20.7881 86.0542 -36.554 TIMING: 4029400 CPU: 12117.6, 0.00298006/step Wall: 12117.6, 0.00298006/step, 0.803456 hours remaining, 208.632812 MB of memory in use. ENERGY: 4029400 752.0724 2105.8336 1950.9221 109.2704 -205918.6343 17555.1782 0.0000 0.0000 34376.4787 -149068.8791 300.2183 -183445.3577 -148972.2945 299.6431 -148.5697 -116.7868 557764.6703 -16.5203 -16.4875 PRESSURE: 4029600 -189.502 9.32439 52.4424 9.32451 150.59 14.9015 52.4426 14.8995 229.573 GPRESSURE: 4029600 -130.404 91.5093 -7.73276 7.44277 172.111 -44.2653 73.1379 63.545 240.791 PRESSAVG: 4029600 -11.9885 -47.197 1.38532 -47.197 25.2662 29.0193 1.38539 29.0195 -7.97692 GPRESSAVG: 4029600 -11.1214 -48.6148 -0.0185476 -46.6963 24.8675 28.0314 1.62352 30.0292 -8.55752 TIMING: 4029600 CPU: 12118.2, 0.00296098/step Wall: 12118.2, 0.00296098/step, 0.798149 hours remaining, 208.632812 MB of memory in use. ENERGY: 4029600 725.3678 2080.5786 1933.2836 117.2717 -206063.3304 17861.8041 0.0000 0.0000 34409.2214 -148935.8032 300.5043 -183345.0246 -148845.9008 299.7337 63.5534 94.1661 556997.2142 1.7669 1.7295 PRESSURE: 4029800 165.236 -21.2071 -74.993 -21.2067 -8.40413 103.211 -74.9943 103.21 -103.712 GPRESSURE: 4029800 234.057 -31.1226 -75.8159 14.1587 6.10233 109.794 -17.9451 130.369 -99.7816 PRESSAVG: 4029800 11.5105 15.7578 -35.3597 15.7578 -44.8362 34.6704 -35.3597 34.6704 69.4605 GPRESSAVG: 4029800 10.3985 16.9882 -34.4459 14.9549 -44.1655 33.7981 -34.9683 34.6586 70.7431 TIMING: 4029800 CPU: 12118.8, 0.00296003/step Wall: 12118.8, 0.00296003/step, 0.797729 hours remaining, 208.632812 MB of memory in use. ENERGY: 4029800 782.1037 2060.2854 1957.0285 105.6196 -206290.8632 17948.6666 0.0000 0.0000 34326.2227 -149110.9366 299.7794 -183437.1594 -149019.6329 300.3240 17.7067 46.7926 557741.5134 12.0449 12.3254 PRESSURE: 4030000 11.7482 -107.904 -47.995 -107.904 170.583 108.299 -47.9951 108.299 -70.8084 GPRESSURE: 4030000 79.3814 -74.5863 -55.8501 -68.31 194.373 63.1583 -55.924 73.4367 -58.5728 PRESSAVG: 4030000 -2.16486 -6.77261 -60.5143 -6.7726 59.379 -33.9905 -60.5143 -33.9906 -27.653 GPRESSAVG: 4030000 -1.77973 -6.90189 -59.3164 -6.29476 60.1183 -32.8522 -60.5024 -34.5173 -28.5762 TIMING: 4030000 CPU: 12119.4, 0.0029648/step Wall: 12119.4, 0.0029648/step, 0.798849 hours remaining, 208.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4030000 770.7574 2082.3031 1927.2426 116.0876 -206516.9779 18001.0129 0.0000 0.0000 34452.6070 -149166.9672 300.8832 -183619.5742 -149070.3116 300.2195 37.1744 71.7272 557715.4106 9.8537 9.9208 PRESSURE: 4030200 -128.772 145.792 55.1116 145.792 -6.75445 9.42134 55.1113 9.42275 -197.487 GPRESSURE: 4030200 -89.9105 37.484 9.16755 178.585 2.95786 -7.99225 -23.1777 -46.2725 -133.68 PRESSAVG: 4030200 68.7838 18.6096 31.7672 18.6097 11.8118 15.5884 31.7672 15.5884 -57.2771 GPRESSAVG: 4030200 68.8186 18.782 29.7993 20.0497 10.9517 16.0763 31.5247 16.4033 -56.2673 TIMING: 4030200 CPU: 12120, 0.00297217/step Wall: 12120, 0.00297217/step, 0.800668 hours remaining, 208.632812 MB of memory in use. ENERGY: 4030200 765.3408 2096.9031 1919.1772 114.5742 -206280.4448 17833.5665 0.0000 0.0000 34367.7933 -149183.0897 300.1425 -183550.8830 -149080.0648 300.0556 -111.0042 -73.5443 557979.3726 7.7728 7.8343 PRESSURE: 4030400 -207.402 213.319 -45.9529 213.318 332.803 -96.8792 -45.9541 -96.8806 -170.737 GPRESSURE: 4030400 -139.354 182.68 -36.1545 169.142 360.862 -130.676 -63.0911 -74.4613 -168.988 PRESSAVG: 4030400 4.05158 93.9983 -56.5883 93.9983 38.5247 -14.4385 -56.5883 -14.4385 -54.2526 GPRESSAVG: 4030400 4.63867 94.2114 -57.0143 92.7902 37.8101 -16.0288 -54.2159 -15.0955 -54.2533 TIMING: 4030400 CPU: 12120.6, 0.00300357/step Wall: 12120.6, 0.00300357/step, 0.808961 hours remaining, 208.632812 MB of memory in use. ENERGY: 4030400 737.7025 2072.8535 1925.0011 113.4186 -206354.1702 17909.7027 0.0000 0.0000 34355.2016 -149240.2902 300.0325 -183595.4918 -149140.1246 299.1643 -15.1120 17.5065 558744.6570 -3.8921 -3.9348 PRESSURE: 4030600 -58.9858 33.2986 -95.0582 33.2979 -110.934 -23.7383 -95.0593 -23.7372 -30.4756 GPRESSURE: 4030600 -19.7787 -4.98958 -26.2351 30.6962 -103.017 -101.205 -77.8521 -52.4112 13.154 PRESSAVG: 4030600 -18.8357 58.4029 -40.1846 58.4029 -43.838 -37.7784 -40.1846 -37.7784 21.836 GPRESSAVG: 4030600 -20.2673 56.4996 -35.3874 59.2063 -42.5539 -34.2554 -45.5115 -39.5009 21.8226 TIMING: 4030600 CPU: 12121.2, 0.00299791/step Wall: 12121.2, 0.00299791/step, 0.80727 hours remaining, 208.632812 MB of memory in use. ENERGY: 4030600 751.1177 2024.7344 1924.0187 114.7361 -206203.4776 17867.6675 0.0000 0.0000 34190.3501 -149330.8530 298.5928 -183521.2031 -149240.2279 299.1054 -66.7986 -36.5471 559613.8645 -13.6126 -13.6662 PRESSURE: 4030800 127.247 -123.271 -11.542 -123.27 -85.1953 16.4669 -11.5429 16.4661 11.841 GPRESSURE: 4030800 157.669 -135.504 -8.55514 -178.577 -63.6991 -60.4251 -38.5803 -4.60316 47.3319 PRESSAVG: 4030800 -7.99179 -8.51183 4.82 -8.51179 -22.916 -50.6929 4.82003 -50.6928 27.0694 GPRESSAVG: 4030800 -8.25685 -8.50742 3.2516 -8.29319 -23.4788 -53.8519 7.34809 -47.9518 27.9966 TIMING: 4030800 CPU: 12121.8, 0.00297826/step Wall: 12121.8, 0.00297826/step, 0.801814 hours remaining, 208.632812 MB of memory in use. ENERGY: 4030800 747.6416 2045.6704 1961.4583 101.2402 -206235.7625 17904.8116 0.0000 0.0000 34150.9011 -149324.0394 298.2483 -183474.9405 -149229.6914 298.8290 17.9644 47.1006 558245.3596 -1.2794 -1.2464 PRESSURE: 4031000 74.8775 125.299 7.11003 125.299 12.9687 -134.171 7.11007 -134.171 -454.039 GPRESSURE: 4031000 92.9342 164.266 50.1071 125.532 64.225 -116.617 -36.7303 -150.303 -431.377 PRESSAVG: 4031000 2.89203 32.0567 -21.6626 32.0567 67.4105 -8.51386 -21.6626 -8.51385 -39.9773 GPRESSAVG: 4031000 3.74341 32.0683 -21.4529 30.8689 66.7824 -6.53165 -22.725 -12.1957 -40.4388 TIMING: 4031000 CPU: 12122.4, 0.00299675/step Wall: 12122.4, 0.00299675/step, 0.806625 hours remaining, 208.632812 MB of memory in use. ENERGY: 4031000 715.3870 2061.1689 1938.2071 112.0924 -205951.1777 17539.7394 0.0000 0.0000 34126.7565 -149457.8264 298.0375 -183584.5829 -149354.0960 298.6126 -122.0642 -91.4061 556761.0875 10.1084 10.0290 PRESSURE: 4031200 -10.5378 -99.0007 115.994 -99.0008 -65.3846 -116.212 115.994 -116.211 -213.264 GPRESSURE: 4031200 19.827 -85.3583 171.703 -34.191 -41.6582 -95.7726 133.379 -65.5247 -163.846 PRESSAVG: 4031200 26.986 2.1416 -14.1299 2.14162 34.4893 -41.7944 -14.1299 -41.7944 -91.3717 GPRESSAVG: 4031200 25.9922 3.38577 -14.9022 3.21034 36.5266 -42.5957 -14.4419 -38.5011 -92.3727 TIMING: 4031200 CPU: 12123, 0.00299643/step Wall: 12123, 0.00299643/step, 0.806373 hours remaining, 208.632812 MB of memory in use. ENERGY: 4031200 741.7927 2117.2820 1921.8459 115.6268 -206010.2623 17701.7117 0.0000 0.0000 34168.2374 -149243.7658 298.3997 -183412.0032 -149148.4359 298.4775 -96.3956 -61.8924 558000.4653 -9.9655 -9.9513 PRESSURE: 4031400 -350.971 77.7823 -129.745 77.7815 -123.062 142.364 -129.745 142.365 -363.925 GPRESSURE: 4031400 -367.629 74.0922 -62.004 -42.2929 -134.316 134.953 -215.518 69.2529 -238.648 PRESSAVG: 4031400 -41.7485 43.0599 -8.24511 43.0599 48.2249 -47.9977 -8.24521 -47.9977 -27.5751 GPRESSAVG: 4031400 -41.3591 44.3371 -9.64314 41.1722 47.5148 -47.4901 -6.43218 -48.9759 -26.7657 TIMING: 4031400 CPU: 12123.6, 0.00298522/step Wall: 12123.6, 0.00298522/step, 0.80319 hours remaining, 208.632812 MB of memory in use. ENERGY: 4031400 721.9662 2108.9655 1933.1729 116.6308 -205905.8636 17472.0802 0.0000 0.0000 34064.9125 -149488.1356 297.4974 -183553.0480 -149385.5557 299.2238 -279.3192 -246.8641 559381.3065 -7.0329 -6.8700 PRESSURE: 4031600 -61.1219 -39.7303 -49.2916 -39.7313 -243.517 -108.167 -49.2912 -108.166 -110.066 GPRESSURE: 4031600 -44.7052 -47.4443 -96.5081 -79.6981 -183.912 -187.387 -31.625 -151.487 -86.9745 PRESSAVG: 4031600 3.19443 30.2227 22.7747 30.2227 21.3182 -38.1581 22.7747 -38.1579 1.59368 GPRESSAVG: 4031600 3.53796 27.793 21.7763 30.4986 21.5484 -37.9117 24.4075 -39.7636 0.712848 TIMING: 4031600 CPU: 12124.2, 0.00297704/step Wall: 12124.2, 0.00297704/step, 0.800824 hours remaining, 208.632812 MB of memory in use. ENERGY: 4031600 762.7920 2082.8176 1942.5841 118.5616 -206201.3415 17737.2396 0.0000 0.0000 34116.2429 -149441.1036 297.9456 -183557.3465 -149342.8798 298.4350 -138.2349 -105.1971 558139.7749 8.7021 8.5997 PRESSURE: 4031800 32.8447 -40.7538 -88.3433 -40.755 -292.589 154.342 -88.3424 154.342 -205.005 GPRESSURE: 4031800 -32.9612 -59.9673 -157.313 39.3906 -182.864 124.45 -139.33 164.411 -160.017 PRESSAVG: 4031800 72.4533 -15.8308 -13.9824 -15.8308 14.8924 -47.9928 -13.9824 -47.9927 -59.8324 GPRESSAVG: 4031800 72.2222 -13.2032 -11.7409 -16.1879 14.3978 -48.0947 -16.134 -47.8253 -58.9085 TIMING: 4031800 CPU: 12124.8, 0.00296023/step Wall: 12124.8, 0.00296023/step, 0.796138 hours remaining, 208.632812 MB of memory in use. ENERGY: 4031800 786.5321 2106.1181 1934.5877 110.2710 -206337.3340 17779.1434 0.0000 0.0000 34213.0993 -149407.5824 298.7915 -183620.6817 -149310.6306 298.6502 -154.9163 -125.2808 558672.0408 9.1711 9.2372 PRESSURE: 4032000 133.987 5.2167 -27.7348 5.216 176.036 -67.9574 -27.7353 -67.956 39.4687 GPRESSURE: 4032000 141.701 33.9287 15.45 -62.9154 206.395 -47.7803 -8.69315 -136.004 100.674 PRESSAVG: 4032000 20.1466 -4.34743 -68.2047 -4.34756 4.13083 -17.796 -68.2046 -17.7959 -33.3009 GPRESSAVG: 4032000 20.8694 -6.03232 -68.1961 -3.17295 3.35675 -17.5701 -68.2287 -16.7361 -33.1475 TIMING: 4032000 CPU: 12125.4, 0.00297974/step Wall: 12125.4, 0.00297974/step, 0.801219 hours remaining, 208.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4032000 759.4493 2083.3270 1943.9862 114.4681 -207013.0200 18244.0998 0.0000 0.0000 34338.8241 -149528.8655 299.8895 -183867.6896 -149437.0163 299.1604 116.4972 149.5903 557975.1546 -3.0078 -2.9738 PRESSURE: 4032200 142.007 -83.4011 -71.6624 -83.4012 294.707 -45.3444 -71.6626 -45.3448 26.7258 GPRESSURE: 4032200 152.219 -91.777 -116.511 -89.0961 334.692 -49.5494 28.1913 -80.0755 74.0501 PRESSAVG: 4032200 24.0705 -10.195 4.93503 -10.195 -24.0987 -41.0474 4.9351 -41.0474 18.9558 GPRESSAVG: 4032200 22.1471 -7.83597 2.3838 -12.8832 -22.805 -42.6268 8.36485 -41.8547 19.9115 TIMING: 4032200 CPU: 12126, 0.00295313/step Wall: 12126, 0.00295313/step, 0.7939 hours remaining, 208.632812 MB of memory in use. ENERGY: 4032200 718.9170 2075.2841 1929.1171 103.4578 -206545.3777 18100.0629 0.0000 0.0000 34003.7178 -149614.8210 296.9629 -183618.5388 -149521.2817 298.1970 154.4802 186.9872 557033.7125 6.3092 6.4179 LDB: ============= START OF LOAD BALANCING ============== 12129.5 LDB: ============== END OF LOAD BALANCING =============== 12129.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12129.5 LDB: ============= START OF LOAD BALANCING ============== 12129.8 LDB: Largest compute 4773 load 0.028806 is 24.4% of average load 0.118148 LDB: Average compute 0.001724 is 1.5% of average load 0.118148 LDB: TIME 12129.8 LOAD: AVG 0.118148 MAX 0.206913 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.973 MB LDB: TIME 12129.8 LOAD: AVG 0.118148 MAX 0.206913 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.973 MB LDB: TIME 12129.8 LOAD: AVG 0.118148 MAX 0.206913 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.973 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12129.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12129.8 PRESSURE: 4032400 -90.8092 -154.617 -45.8413 -154.617 46.4654 -75.8954 -45.8419 -75.8962 -155.15 GPRESSURE: 4032400 -39.3033 -156.393 -59.8421 -80.0962 62.4994 24.4865 -116.118 -5.35744 -136.309 PRESSAVG: 4032400 -49.7099 -45.0778 12.8315 -45.0778 53.4795 25.3294 12.8316 25.3293 -7.25656 GPRESSAVG: 4032400 -47.7125 -47.3914 14.0736 -42.8492 53.0282 27.88 10.5117 25.4052 -8.577 TIMING: 4032400 CPU: 12126.6, 0.00304291/step Wall: 12126.6, 0.00304291/step, 0.817866 hours remaining, 208.957031 MB of memory in use. ENERGY: 4032400 759.4609 2061.9914 1927.3394 106.0456 -206222.5695 17816.4221 0.0000 0.0000 33963.5991 -149587.7110 296.6126 -183551.3101 -149495.1584 298.0377 -66.4980 -37.7044 558659.8412 -1.1623 -1.0871 PRESSURE: 4032600 3.69617 -137.324 47.1532 -137.323 116.333 -71.5002 47.1546 -71.4994 74.5834 GPRESSURE: 4032600 43.5676 -123.164 0.236559 -71.6533 167.52 -85.08 26.3534 -165.308 75.328 PRESSAVG: 4032600 0.425746 -52.5167 -29.7184 -52.5167 28.8347 -26.742 -29.7184 -26.7418 -13.9756 GPRESSAVG: 4032600 -0.480983 -51.5556 -29.969 -49.4973 28.4315 -29.3012 -31.123 -27.8169 -12.9549 TIMING: 4032600 CPU: 12127.2, 0.0029854/step Wall: 12127.2, 0.0029854/step, 0.802244 hours remaining, 209.160156 MB of memory in use. ENERGY: 4032600 775.9190 2024.2388 1961.1487 112.4223 -206784.4604 18080.5649 0.0000 0.0000 34172.6690 -149657.4976 298.4384 -183830.1666 -149557.8692 298.2006 64.8710 95.4719 557649.9564 5.0949 4.9985 PRESSURE: 4032800 -147.053 90.5962 -47.5164 90.5969 -47.2642 -211.848 -47.5162 -211.85 -132.659 GPRESSURE: 4032800 -95.6071 55.0587 -94.3142 27.4609 -34.9774 -247.071 26.5896 -197.377 -93.4462 PRESSAVG: 4032800 -2.65316 -22.0104 -3.25002 -22.0104 -27.6972 -2.9619 -3.2501 -2.96202 35.2631 GPRESSAVG: 4032800 -2.892 -21.5144 -1.81217 -25.6154 -27.3234 -2.71485 -0.987279 -2.49943 34.9598 TIMING: 4032800 CPU: 12127.8, 0.00295561/step Wall: 12127.8, 0.00295561/step, 0.794074 hours remaining, 209.160156 MB of memory in use. ENERGY: 4032800 766.3778 2106.0264 1957.9966 110.1715 -206637.4802 17901.2506 0.0000 0.0000 34284.3367 -149511.3205 299.4136 -183795.6573 -149408.8717 298.0751 -108.9921 -74.6769 558999.7677 1.6376 1.5814 PRESSURE: 4033000 -83.3015 -132.965 99.4637 -132.964 -158.239 40.8313 99.4629 40.8344 -282.128 GPRESSURE: 4033000 -19.1894 -111.156 82.6832 -115.844 -140.987 -76.0267 126.068 145.11 -256.204 PRESSAVG: 4033000 0.564471 -19.414 -14.8834 -19.414 36.2644 -22.6396 -14.8833 -22.6396 -36.0822 GPRESSAVG: 4033000 1.28427 -18.3279 -15.0542 -19.428 35.9924 -21.6491 -16.4594 -20.6085 -36.5869 TIMING: 4033000 CPU: 12128.4, 0.00296767/step Wall: 12128.4, 0.00296767/step, 0.797149 hours remaining, 209.160156 MB of memory in use. ENERGY: 4033000 737.8504 2068.9504 1902.6766 111.3699 -206286.1507 17624.6692 0.0000 0.0000 34320.7200 -149519.9143 299.7314 -183840.6344 -149421.0092 298.2543 -174.5562 -138.7933 557865.2275 0.2489 0.2299 PRESSURE: 4033200 -208.385 -58.6828 240.897 -58.6829 -318.643 -29.885 240.897 -29.8847 -122.309 GPRESSURE: 4033200 -173.244 -135.8 246.812 -5.84336 -239.938 -13.2548 246.966 -125.585 -137.337 PRESSAVG: 4033200 26.9232 28.2475 25.2391 28.2474 -0.540137 2.18476 25.239 2.18483 -17.6506 GPRESSAVG: 4033200 26.582 26.1729 23.6278 30.0625 0.807454 1.65235 24.5331 0.22449 -18.0138 TIMING: 4033200 CPU: 12128.9, 0.00296395/step Wall: 12128.9, 0.00296395/step, 0.795986 hours remaining, 209.160156 MB of memory in use. ENERGY: 4033200 760.6507 2034.5989 1936.9115 111.7628 -205986.4737 17597.8903 0.0000 0.0000 34074.7123 -149469.9471 297.5829 -183544.6594 -149369.4590 298.3628 -216.4456 -183.5065 558555.1535 2.9108 3.1252 PRESSURE: 4033400 -2.40129 71.9448 41.768 71.9445 -98.4893 97.9917 41.7685 97.9912 132.931 GPRESSURE: 4033400 27.7617 93.6062 -48.6315 39.4689 -72.1886 77.1959 41.6971 58.498 160.726 PRESSAVG: 4033400 -8.92343 -35.5004 19.8929 -35.5004 9.21659 21.3196 19.893 21.3195 -1.79729 GPRESSAVG: 4033400 -9.80181 -34.4452 20.6332 -36.9459 9.78021 21.0574 20.586 22.3999 -0.62766 TIMING: 4033400 CPU: 12129.5, 0.00295264/step Wall: 12129.5, 0.00295264/step, 0.792784 hours remaining, 209.160156 MB of memory in use. ENERGY: 4033400 787.1782 2146.2967 1907.3822 109.6927 -206651.3706 18124.1979 0.0000 0.0000 34291.7919 -149284.8310 299.4787 -183576.6228 -149198.1573 299.3382 10.6802 38.7664 555650.6107 -0.5014 -0.2164 PRESSURE: 4033600 -128.759 203.371 -208.875 203.373 -37.6018 78.1665 -208.875 78.1666 -39.3475 GPRESSURE: 4033600 -73.2854 212.611 -173.461 207.481 -24.1538 152.127 -162.416 122.892 0.257014 PRESSAVG: 4033600 15.0477 -35.8668 23.1162 -35.8669 -37.9402 36.0698 23.1161 36.0699 12.8632 GPRESSAVG: 4033600 15.7601 -37.4075 22.2803 -34.1057 -37.8627 35.9276 25.3239 36.2796 12.5452 TIMING: 4033600 CPU: 12130.1, 0.00298899/step Wall: 12130.1, 0.00298899/step, 0.802378 hours remaining, 209.160156 MB of memory in use. ENERGY: 4033600 707.8153 2152.4819 1938.5166 105.1534 -206327.7843 17743.0843 0.0000 0.0000 34458.2705 -149222.4623 300.9326 -183680.7327 -149128.6368 300.0907 -68.5694 -32.3941 557006.4007 -3.3431 -3.1858 PRESSURE: 4033800 -206.259 -74.4819 21.2314 -74.4841 -137.398 -135.952 21.2306 -135.951 69.9254 GPRESSURE: 4033800 -222.425 -85.0159 -10.438 -56.3952 -82.5805 -122.178 39.4678 -76.8924 117.143 PRESSAVG: 4033800 13.6878 46.4641 -3.91651 46.464 -64.7976 72.5519 -3.91654 72.5518 80.8921 GPRESSAVG: 4033800 14.2203 47.6729 -4.51059 44.9842 -64.8922 73.0973 -6.59072 74.9073 80.7317 TIMING: 4033800 CPU: 12130.7, 0.00300769/step Wall: 12130.7, 0.00300769/step, 0.80723 hours remaining, 209.363281 MB of memory in use. ENERGY: 4033800 722.0873 2100.7304 1942.0201 116.1694 -206119.9051 17759.8982 0.0000 0.0000 34260.6162 -149218.3835 299.2065 -183478.9997 -149128.2719 300.1279 -91.2439 -62.6209 558563.4215 9.9274 10.0199 PRESSURE: 4034000 -113.287 158.667 -117.096 158.666 -183.62 60.1949 -117.098 60.1939 -0.175922 GPRESSURE: 4034000 -99.0959 166.504 -220.895 138.343 -163.318 133.821 -55.0578 121.631 68.718 PRESSAVG: 4034000 13.3665 38.4147 4.76651 38.4147 -36.3411 3.27395 4.76659 3.27392 0.42976 GPRESSAVG: 4034000 13.6194 38.3643 5.42749 37.6389 -37.268 1.70613 5.54099 1.66225 1.09604 TIMING: 4034000 CPU: 12131.3, 0.00299313/step Wall: 12131.3, 0.00299313/step, 0.803157 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: 4034000 753.9322 2094.7623 1917.7022 116.8619 -205976.6058 17855.4765 0.0000 0.0000 34094.2426 -149143.6282 297.7535 -183237.8708 -149050.0815 299.4216 -99.0276 -64.5653 558999.4824 -7.5150 -7.5175 PRESSURE: 4034200 -218.293 -203.992 68.5311 -203.992 -186.466 -39.4219 68.5306 -39.4193 -346.4 GPRESSURE: 4034200 -124.741 -223.52 51.8615 -149.908 -196.809 31.4596 91.8335 -80.211 -336.652 PRESSAVG: 4034200 21.373 -1.89337 0.568684 -1.89338 -4.44244 4.32619 0.568701 4.32612 30.1548 GPRESSAVG: 4034200 20.6776 -3.02484 -2.16685 -0.088769 -2.50868 5.45292 0.160783 3.96013 28.8048 TIMING: 4034200 CPU: 12131.9, 0.00297866/step Wall: 12131.9, 0.00297866/step, 0.799108 hours remaining, 209.363281 MB of memory in use. ENERGY: 4034200 777.3688 2144.0499 1929.4906 123.6324 -206252.2594 17655.1546 0.0000 0.0000 34464.3377 -149158.2255 300.9856 -183622.5632 -149063.9252 300.1959 -250.3861 -219.4009 558776.4550 15.6951 15.6579 PRESSURE: 4034400 -141.733 -74.7225 -48.2769 -74.7226 -157.99 16.363 -48.2765 16.365 -338.82 GPRESSURE: 4034400 -111.927 -81.127 -126.164 -59.3366 -91.9387 -38.6616 -42.2289 129.693 -338.745 PRESSAVG: 4034400 38.2991 -15.1067 -38.6188 -15.1068 10.3316 -17.6348 -38.6188 -17.6348 -49.2326 GPRESSAVG: 4034400 38.7237 -14.5549 -35.4472 -15.3116 10.0064 -17.4627 -38.3574 -18.2476 -48.9998 TIMING: 4034400 CPU: 12132.5, 0.00301008/step Wall: 12132.5, 0.00301008/step, 0.807369 hours remaining, 209.363281 MB of memory in use. ENERGY: 4034400 723.8214 2055.9447 1935.4195 131.5674 -205970.3959 17559.9674 0.0000 0.0000 34260.3676 -149303.3079 299.2043 -183563.6755 -149210.2983 299.5477 -212.8479 -180.8704 558526.9763 -0.2007 -0.0899 PRESSURE: 4034600 0.953207 110.242 19.2198 110.242 74.0391 -186.483 19.2186 -186.483 -126.421 GPRESSURE: 4034600 45.7216 92.0489 34.2593 146.939 136.824 -177.158 -23.8534 -164.043 -137.969 PRESSAVG: 4034600 -21.9535 19.7328 -54.4811 19.7326 22.2944 52.3075 -54.4811 52.3074 -24.1005 GPRESSAVG: 4034600 -21.1303 19.3296 -56.1305 19.2299 22.068 52.8202 -54.469 51.6007 -24.2787 TIMING: 4034600 CPU: 12133.1, 0.00302724/step Wall: 12133.1, 0.00302724/step, 0.811805 hours remaining, 209.363281 MB of memory in use. ENERGY: 4034600 743.9124 2073.7882 1960.5720 124.8387 -206366.6077 17875.6861 0.0000 0.0000 34360.5750 -149227.2354 300.0794 -183587.8104 -149129.9864 298.8241 -17.1431 14.8591 556260.0165 -7.9199 -7.7803 PRESSURE: 4034800 24.4556 83.0164 25.8615 83.0161 -128.168 53.7901 25.8608 53.792 96.8986 GPRESSURE: 4034800 145.571 86.3456 51.6338 38.9401 -171.789 50.5987 -19.7007 18.9461 108.871 PRESSAVG: 4034800 56.676 28.1252 -66.7733 28.1251 -55.2002 13.3859 -66.7734 13.3858 -3.34828 GPRESSAVG: 4034800 55.8999 29.1331 -66.6285 27.3913 -55.2544 13.6051 -67.3257 13.1186 -3.09871 TIMING: 4034800 CPU: 12133.8, 0.00305022/step Wall: 12133.8, 0.00305022/step, 0.817798 hours remaining, 209.363281 MB of memory in use. ENERGY: 4034800 743.7042 2065.1805 1913.3004 116.3561 -206225.6646 17826.7376 0.0000 0.0000 34298.3849 -149262.0010 299.5363 -183560.3859 -149162.3747 298.9750 -2.2713 27.5510 558552.1807 -0.6242 -0.8177 PRESSURE: 4035000 174.951 -55.0462 119.383 -55.0473 153.858 33.7217 119.383 33.722 66.3145 GPRESSURE: 4035000 204.242 -44.5845 198.267 -67.9371 174.777 4.91506 21.3911 59.4989 111.048 PRESSAVG: 4035000 -6.25961 8.51793 30.6816 8.51791 -12.1687 31.0334 30.6816 31.0335 42.1808 GPRESSAVG: 4035000 -6.2269 10.0406 33.0617 8.10005 -12.5721 29.9026 31.4501 30.6565 42.1271 TIMING: 4035000 CPU: 12134.3, 0.00297898/step Wall: 12134.3, 0.00297897/step, 0.798531 hours remaining, 209.363281 MB of memory in use. ENERGY: 4035000 733.2392 2059.4917 1946.9081 101.8644 -206238.1672 17974.9742 0.0000 0.0000 34165.7537 -149255.9358 298.3780 -183421.6895 -149159.6346 298.9275 131.7077 163.3557 557662.8262 7.9175 7.7760 PRESSURE: 4035200 -135.289 -34.9542 10.0696 -34.9546 62.1845 -105.892 10.0701 -105.893 117.992 GPRESSURE: 4035200 -98.0846 -99.4561 -42.4593 23.0238 129.257 -71.403 -42.5827 -122.964 124.129 PRESSAVG: 4035200 -55.3423 -33.8258 5.24747 -33.8258 15.2106 21.343 5.24751 21.343 36.0221 GPRESSAVG: 4035200 -55.6065 -36.4776 3.4298 -33.0504 15.1397 21.2418 3.323 21.6593 36.1859 TIMING: 4035200 CPU: 12134.9, 0.00297921/step Wall: 12134.9, 0.00297921/step, 0.798428 hours remaining, 209.363281 MB of memory in use. ENERGY: 4035200 740.6095 2061.0674 1956.3864 111.7103 -206457.6111 18088.4662 0.0000 0.0000 34319.8504 -149179.5208 299.7238 -183499.3713 -149088.1368 299.4704 14.9625 51.7673 557373.0411 -1.3699 -1.4269 PRESSURE: 4035400 -179.739 20.2244 167.393 20.2248 171.484 -46.4161 167.393 -46.4165 -65.8831 GPRESSURE: 4035400 -140.597 101.115 133.655 -3.45142 199.64 -102.886 167.377 -16.485 -52.5389 PRESSAVG: 4035400 -18.9258 25.3682 34.947 25.3682 12.5072 4.44079 34.947 4.44072 5.59515 GPRESSAVG: 4035400 -17.9442 26.2189 32.5703 25.9947 12.7721 4.78812 36.755 4.63974 4.20495 TIMING: 4035400 CPU: 12135.5, 0.00301256/step Wall: 12135.5, 0.00301256/step, 0.807198 hours remaining, 209.363281 MB of memory in use. ENERGY: 4035400 730.3693 2030.1064 1930.5615 101.9456 -206088.6744 17730.5708 0.0000 0.0000 34304.7904 -149260.3304 299.5923 -183565.1208 -149161.8147 299.0409 -24.7126 2.1680 558267.0814 -0.2745 -0.3224 PRESSURE: 4035600 8.17502 -69.0791 -9.88336 -69.0787 -114.963 18.8245 -9.88176 18.8228 -197.62 GPRESSURE: 4035600 67.5648 1.77496 56.7052 -89.51 -98.2716 -34.7022 -29.8353 69.053 -183.022 PRESSAVG: 4035600 -29.9857 -23.5233 -7.41447 -23.5233 75.4117 -8.43523 -7.41443 -8.43525 -41.8553 GPRESSAVG: 4035600 -31.34 -22.8053 -5.25746 -25.3452 75.0297 -9.03845 -7.62002 -7.41165 -40.2676 TIMING: 4035600 CPU: 12136.1, 0.00301375/step Wall: 12136.1, 0.00301375/step, 0.80735 hours remaining, 209.363281 MB of memory in use. ENERGY: 4035600 768.2338 2032.0041 1928.2433 110.2239 -205858.4854 17755.2643 0.0000 0.0000 34004.9331 -149259.5829 296.9735 -183264.5160 -149157.0220 299.2115 -101.4694 -71.2428 558975.4674 1.1903 1.1407 PRESSURE: 4035800 106.749 97.8408 -105.74 97.8398 558.559 -66.9413 -105.741 -66.941 -35.6323 GPRESSURE: 4035800 127.673 113.84 -116.789 56.6029 625.042 -12.9999 -31.139 -63.7186 -41.3153 PRESSAVG: 4035800 4.34491 58.8189 25.8359 58.8189 80.1278 20.4658 25.8359 20.4658 -77.2548 GPRESSAVG: 4035800 5.31175 56.304 26.0132 60.7244 80.0175 22.8893 26.4648 18.6318 -78.06 TIMING: 4035800 CPU: 12136.7, 0.00298406/step Wall: 12136.7, 0.00298406/step, 0.799231 hours remaining, 209.363281 MB of memory in use. ENERGY: 4035800 699.3677 2003.8600 1947.2584 112.3009 -206749.8226 18236.3784 0.0000 0.0000 34437.1068 -149313.5504 300.7478 -183750.6573 -149220.1225 298.5710 209.8918 237.1332 558421.8587 2.4060 2.4231 PRESSURE: 4036000 -250.442 263.206 -67.2446 263.205 -76.8055 -94.6915 -67.2448 -94.6917 -180.869 GPRESSURE: 4036000 -259.763 283.581 -29.3495 200.723 23.6839 -95.7733 -120.143 -47.7333 -180.233 PRESSAVG: 4036000 -1.3219 13.3641 -22.3781 13.3641 48.1823 34.2894 -22.3781 34.2894 -21.981 GPRESSAVG: 4036000 -2.25886 15.6137 -22.1794 12.6051 49.1172 33.7402 -25.0101 35.6109 -21.8839 TIMING: 4036000 CPU: 12137.3, 0.00295066/step Wall: 12137.3, 0.00295066/step, 0.790122 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: 4036000 746.6064 2063.2979 1930.7351 117.6885 -206189.8664 17677.2207 0.0000 0.0000 34215.7572 -149438.5607 298.8147 -183654.3179 -149336.0606 298.5956 -169.3721 -138.7706 558219.4239 8.2931 8.3248 PRESSURE: 4036200 -97.7624 -178.432 -60.0266 -178.43 -281.954 -45.9015 -60.0266 -45.9021 198.245 GPRESSURE: 4036200 -57.1792 -77.2492 -77.6054 -162.556 -248.731 22.8762 -90.8104 -63.7441 223.753 PRESSAVG: 4036200 -48.0634 -9.42309 -55.6349 -9.42307 24.3528 -10.6113 -55.6349 -10.6114 9.8412 GPRESSAVG: 4036200 -47.0875 -9.07596 -56.0274 -9.40656 23.9402 -12.0067 -54.2382 -11.6651 9.24437 TIMING: 4036200 CPU: 12137.9, 0.00294367/step Wall: 12137.9, 0.00294367/step, 0.788085 hours remaining, 209.363281 MB of memory in use. ENERGY: 4036200 699.4753 2047.4150 1918.6125 101.0456 -205851.4574 17525.2076 0.0000 0.0000 34192.6311 -149367.0703 298.6128 -183559.7014 -149264.8668 297.9602 -60.4905 -27.3858 557935.3632 -4.6231 -4.6343 LDB: ============= START OF LOAD BALANCING ============== 12141.4 LDB: ============== END OF LOAD BALANCING =============== 12141.4 LDB: =============== DONE WITH MIGRATION ================ 12141.4 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 12141.7 LDB: Largest compute 4773 load 0.027340 is 23.1% of average load 0.118231 LDB: Average compute 0.001725 is 1.5% of average load 0.118231 LDB: TIME 12141.7 LOAD: AVG 0.118231 MAX 0.20689 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.312 MB LDB: TIME 12141.7 LOAD: AVG 0.118231 MAX 0.20689 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.555 MB LDB: TIME 12141.7 LOAD: AVG 0.118231 MAX 0.20689 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.555 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12141.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12141.7 PRESSURE: 4036400 -41.4045 22.1992 -115.156 22.1987 73.9273 72.8023 -115.156 72.8003 114.259 GPRESSURE: 4036400 -65.4889 16.1543 -104.692 15.0443 82.6888 31.1231 -84.3149 106.146 225.874 PRESSAVG: 4036400 -72.9786 20.4069 -21.2779 20.407 -46.8732 26.1174 -21.2778 26.1175 52.923 GPRESSAVG: 4036400 -73.0078 19.4439 -20.8633 21.5763 -46.8199 26.8627 -21.3436 28.4468 53.0187 TIMING: 4036400 CPU: 12138.5, 0.00300647/step Wall: 12138.5, 0.00300647/step, 0.804732 hours remaining, 209.132812 MB of memory in use. ENERGY: 4036400 788.4433 1996.3401 1920.8691 100.8155 -206660.7863 17988.3679 0.0000 0.0000 34444.8687 -149421.0817 300.8156 -183865.9503 -149320.8606 299.0422 48.9271 81.0246 558358.5762 -22.3096 -22.2697 PRESSURE: 4036600 368.171 43.4348 30.4154 43.4348 -182.081 12.06 30.4152 12.0608 -112.601 GPRESSURE: 4036600 383.78 58.1539 3.62158 -20.3333 -127.442 54.0073 42.3896 -115.325 -83.7217 PRESSAVG: 4036600 55.2595 -17.2028 -47.4789 -17.2028 -10.5947 -34.2094 -47.479 -34.2094 -1.52432 GPRESSAVG: 4036600 55.2229 -15.3231 -48.3439 -18.0198 -10.1758 -33.9844 -46.7397 -34.1334 -2.15301 TIMING: 4036600 CPU: 12139.1, 0.00297978/step Wall: 12139.1, 0.00297978/step, 0.797423 hours remaining, 209.132812 MB of memory in use. ENERGY: 4036600 700.0999 2073.3360 1924.1077 114.6403 -206267.6834 17939.4295 0.0000 0.0000 34176.9121 -149339.1580 298.4755 -183516.0701 -149240.7943 298.9302 24.4962 57.5385 558519.2562 14.3802 14.2980 PRESSURE: 4036800 -98.5052 -52.2853 -118.31 -52.2847 -77.4686 82.5865 -118.309 82.5851 -115.22 GPRESSURE: 4036800 -93.0864 -38.0678 -182.889 -9.26103 -48.0111 48.6808 -45.4368 123.361 -48.0141 PRESSAVG: 4036800 80.0777 -47.2006 -17.2184 -47.2005 -32.9988 10.6443 -17.2184 10.6443 -27.4664 GPRESSAVG: 4036800 80.5348 -47.0315 -16.9682 -46.5783 -34.78 8.60993 -15.7549 11.1407 -25.7898 TIMING: 4036800 CPU: 12139.7, 0.00302625/step Wall: 12139.7, 0.00302625/step, 0.809689 hours remaining, 209.132812 MB of memory in use. ENERGY: 4036800 758.0605 2102.8088 1938.6934 108.0851 -206060.2155 17705.6685 0.0000 0.0000 34108.5108 -149338.3884 297.8781 -183446.8992 -149246.7041 298.6849 -97.0647 -63.0372 557569.2285 6.5375 6.6550 PRESSURE: 4037000 164.082 39.4436 118.664 39.4429 -171.095 26.7681 118.666 26.7696 22.9532 GPRESSURE: 4037000 185.556 84.1936 104.96 8.64788 -157.602 94.3742 100.128 -30.088 87.7256 PRESSAVG: 4037000 35.1267 21.6495 -3.0156 21.6496 31.1962 -0.647187 -3.01562 -0.647067 -52.6784 GPRESSAVG: 4037000 34.7635 22.6932 -2.48092 19.7809 31.2434 -0.351896 -6.98365 -2.49448 -52.6459 TIMING: 4037000 CPU: 12140.3, 0.00299172/step Wall: 12140.3, 0.00299172/step, 0.800285 hours remaining, 209.132812 MB of memory in use. ENERGY: 4037000 763.2956 2093.6040 1950.8126 108.8496 -206399.1992 18008.3536 0.0000 0.0000 34164.5447 -149309.7392 298.3675 -183474.2839 -149206.0710 299.3967 5.3135 38.5597 558467.4779 4.5482 4.4537 PRESSURE: 4037200 73.7498 106.742 -54.8874 106.74 -91.8295 -148.887 -54.8879 -148.888 -269.758 GPRESSURE: 4037200 119.021 73.0902 -16.7711 52.0559 -80.3061 -121.67 42.3799 -124.909 -246.011 PRESSAVG: 4037200 37.8966 23.9459 -8.07763 23.9459 -2.95069 14.029 -8.07759 14.029 -12.7459 GPRESSAVG: 4037200 36.9508 21.7072 -8.13794 25.7652 -1.55526 15.9497 -4.52967 14.9715 -13.7813 TIMING: 4037200 CPU: 12140.9, 0.0029759/step Wall: 12140.9, 0.0029759/step, 0.795888 hours remaining, 209.132812 MB of memory in use. ENERGY: 4037200 713.7034 2111.7054 1942.6506 123.6638 -206294.2631 17770.9526 0.0000 0.0000 34273.6775 -149357.9096 299.3206 -183631.5871 -149252.9073 298.6327 -95.9458 -69.0987 558669.9907 7.4000 7.2048 PRESSURE: 4037400 -155.66 -158.957 -3.68672 -158.957 56.4358 139.254 -3.68655 139.255 -6.58861 GPRESSURE: 4037400 -124.455 -178.917 -28.1492 -98.9539 73.3458 92.8623 114.745 199.409 56.4088 PRESSAVG: 4037400 -73.6423 21.9075 -10.1809 21.9076 -13.8613 15.0398 -10.1808 15.0398 75.1334 GPRESSAVG: 4037400 -73.0667 21.8159 -8.73442 20.193 -14.3369 15.0021 -12.3068 13.8858 75.2467 TIMING: 4037400 CPU: 12141.5, 0.00297357/step Wall: 12141.5, 0.00297357/step, 0.795099 hours remaining, 209.132812 MB of memory in use. ENERGY: 4037400 734.2506 2076.4838 1914.7352 104.8292 -206081.6495 17743.9456 0.0000 0.0000 34243.6721 -149263.7331 299.0585 -183507.4051 -149165.1260 299.0643 -35.2711 1.7664 557534.8964 -4.1234 -4.0523 PRESSURE: 4037600 -37.7002 -22.3514 172.342 -22.3509 88.3311 64.0846 172.342 64.0849 265.738 GPRESSURE: 4037600 -7.57236 -1.47082 73.9564 -135.327 99.9229 47.1259 155.49 40.0354 321.053 PRESSAVG: 4037600 -68.2331 -59.2574 17.9495 -59.2574 33.4651 16.2329 17.9496 16.233 -12.8912 GPRESSAVG: 4037600 -67.9304 -59.8014 15.6263 -58.4285 33.811 16.7395 17.0573 16.104 -13.2383 TIMING: 4037600 CPU: 12142.1, 0.00296609/step Wall: 12142.1, 0.00296609/step, 0.792935 hours remaining, 209.132812 MB of memory in use. ENERGY: 4037600 707.7827 2098.4529 1922.0773 110.3046 -206281.1426 17915.5908 0.0000 0.0000 34190.6858 -149336.2485 298.5958 -183526.9343 -149237.8396 298.6578 105.4563 137.8013 557721.9773 -15.8864 -15.7859 PRESSURE: 4037800 203.822 -5.72957 -71.2803 -5.72938 285.434 -3.24499 -71.2813 -3.24525 33.5837 GPRESSURE: 4037800 210.242 91.0591 -140.311 49.8226 295.958 33.531 -122.532 -80.2171 116.708 PRESSAVG: 4037800 -2.92504 21.4536 -36.6875 21.4535 12.3092 -19.5315 -36.6876 -19.5316 -13.5433 GPRESSAVG: 4037800 -4.16652 23.0111 -35.002 23.3153 12.1007 -22.3847 -36.6682 -17.4265 -11.8752 TIMING: 4037800 CPU: 12142.7, 0.00295438/step Wall: 12142.7, 0.00295438/step, 0.789639 hours remaining, 209.132812 MB of memory in use. ENERGY: 4037800 727.3046 2048.3573 1937.5223 108.6284 -206550.9175 18136.5065 0.0000 0.0000 34077.3889 -149515.2094 297.6063 -183592.5983 -149414.6516 297.5417 174.2799 207.6358 556677.7162 -1.3864 -1.3137 PRESSURE: 4038000 -293.976 -57.2489 10.8136 -57.2493 -17.9033 -35.9052 10.8145 -35.9047 -164.942 GPRESSURE: 4038000 -270.39 -93.574 14.1047 -75.8355 -44.3434 -7.02231 56.0393 -63.512 -71.9132 PRESSAVG: 4038000 33.901 0.887608 -13.7717 0.887629 -2.68807 -4.82874 -13.7717 -4.8287 -14.0276 GPRESSAVG: 4038000 35.936 -0.860329 -12.2433 -1.4341 -4.03339 -3.15562 -10.2808 -7.38959 -14.9753 TIMING: 4038000 CPU: 12143.3, 0.00295511/step Wall: 12143.3, 0.00295511/step, 0.78967 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: 4038000 697.1480 2046.4089 1936.4328 117.7190 -206029.0553 17563.7080 0.0000 0.0000 34310.5802 -149357.0584 299.6428 -183667.6386 -149259.6880 298.1242 -158.9405 -128.8822 558841.9076 5.7284 5.6424 PRESSURE: 4038200 -59.2188 65.4663 -129.524 65.4676 -276.593 92.7631 -129.524 92.7622 -156.351 GPRESSURE: 4038200 31.735 21.0838 -99.8166 40.5534 -309.974 59.0568 -31.1281 17.7665 -120.581 PRESSAVG: 4038200 15.1247 -32.933 -32.2176 -32.9329 -38.5135 -4.18649 -32.2177 -4.18655 -7.51026 GPRESSAVG: 4038200 14.7889 -33.2299 -33.088 -30.82 -37.7473 -3.49948 -33.1998 -1.91774 -8.23041 TIMING: 4038200 CPU: 12143.9, 0.00297074/step Wall: 12143.9, 0.00297074/step, 0.793683 hours remaining, 209.132812 MB of memory in use. ENERGY: 4038200 759.9458 2085.5881 1910.1853 97.1870 -206115.0265 17664.5814 0.0000 0.0000 34236.7763 -149360.7624 298.9983 -183597.5388 -149268.4002 298.8788 -164.0542 -132.9400 558146.3016 -10.2997 -10.3963 PRESSURE: 4038400 -152.059 118.505 29.3134 118.506 -29.3819 177.731 29.3137 177.732 20.2159 GPRESSURE: 4038400 -171.007 57.1293 71.6534 98.1659 63.0436 94.1375 51.0702 182.528 39.6294 PRESSAVG: 4038400 -0.7515 15.1386 15.4793 15.1386 -21.1778 52.8057 15.4793 52.8057 5.21071 GPRESSAVG: 4038400 -1.11119 16.5663 16.449 13.386 -20.7306 52.7393 15.1847 51.1401 4.98852 TIMING: 4038400 CPU: 12144.5, 0.00295138/step Wall: 12144.5, 0.00295138/step, 0.788347 hours remaining, 209.132812 MB of memory in use. ENERGY: 4038400 754.5103 2070.1326 1894.9517 98.5471 -206151.8555 17768.8619 0.0000 0.0000 34214.5967 -149350.2553 298.8046 -183564.8519 -149254.1488 298.9026 -53.7418 -22.7779 557549.0196 -5.5729 -5.6177 PRESSURE: 4038600 72.0276 -16.342 -82.9158 -16.3395 194.817 -135.285 -82.9163 -135.286 -19.0287 GPRESSURE: 4038600 84.7994 -42.3122 -78.7676 2.79979 224.832 -80.3068 -127.386 -173.492 28.3885 PRESSAVG: 4038600 -27.0104 2.51237 -6.07973 2.51234 51.9626 28.1715 -6.0798 28.1714 7.6715 GPRESSAVG: 4038600 -26.3369 0.386205 -6.59201 3.45158 51.0622 27.7882 -5.80649 28.8838 7.56982 TIMING: 4038600 CPU: 12145.1, 0.00296086/step Wall: 12145.1, 0.00296086/step, 0.790715 hours remaining, 209.132812 MB of memory in use. ENERGY: 4038600 746.2717 2096.0611 1924.1645 117.2442 -206478.9124 17891.5103 0.0000 0.0000 34368.8567 -149334.8040 300.1518 -183703.6607 -149241.6776 299.5113 82.6053 112.6734 555855.4845 10.8746 10.7650 PRESSURE: 4038800 -59.912 141.938 -70.303 141.938 -48.1953 -154.95 -70.3028 -154.951 -73.8172 GPRESSURE: 4038800 -17.7481 117.061 2.45175 125.725 -23.8398 -238.743 -119.084 -140.805 -57.6378 PRESSAVG: 4038800 -25.9437 16.3337 13.5686 16.3336 31.1865 -70.138 13.5688 -70.1381 -44.8784 GPRESSAVG: 4038800 -25.5004 19.3276 12.2504 14.3901 31.1842 -69.2802 14.0887 -71.059 -45.1745 TIMING: 4038800 CPU: 12145.7, 0.00295585/step Wall: 12145.7, 0.00295585/step, 0.789213 hours remaining, 209.132812 MB of memory in use. ENERGY: 4038800 760.9021 2073.5301 1927.7554 109.3587 -205653.4439 17389.1825 0.0000 0.0000 34236.8462 -149155.8689 298.9989 -183392.7151 -149066.2358 298.9021 -60.6415 -33.0753 557193.3155 -13.2119 -13.1636 PRESSURE: 4039000 -32.3374 -54.0596 -61.7197 -54.0592 -281.344 -200.653 -61.7205 -200.651 -110.694 GPRESSURE: 4039000 -10.0194 -9.83837 -81.5915 -150.306 -217.292 -202.071 37.9302 -202.646 -107.259 PRESSAVG: 4039000 35.4595 -28.4088 5.17317 -28.4088 -24.844 -70.902 5.17324 -70.9021 -28.6142 GPRESSAVG: 4039000 34.6548 -29.0227 6.6387 -24.7774 -23.6845 -70.0081 2.928 -71.3545 -28.1618 TIMING: 4039000 CPU: 12146.2, 0.00295848/step Wall: 12146.2, 0.00295848/step, 0.78975 hours remaining, 209.132812 MB of memory in use. ENERGY: 4039000 736.0459 2056.9176 1960.3712 118.3937 -205827.1938 17597.6797 0.0000 0.0000 34186.0339 -149171.7518 298.5551 -183357.7857 -149072.2571 298.4689 -141.4585 -111.5233 558028.7108 -5.9996 -5.7305 PRESSURE: 4039200 169.161 64.0823 8.95164 64.0818 155.248 44.5275 8.95133 44.5282 325.059 GPRESSURE: 4039200 202.155 82.907 -71.8051 60.5077 142.33 22.1763 25.8658 -11.4223 412.583 PRESSAVG: 4039200 3.53419 54.1941 11.2113 54.194 -43.124 8.59501 11.2113 8.5949 7.15343 GPRESSAVG: 4039200 2.05235 55.6735 10.3781 51.4967 -43.5183 4.49239 12.2557 11.1591 8.41581 TIMING: 4039200 CPU: 12146.8, 0.002971/step Wall: 12146.8, 0.002971/step, 0.792927 hours remaining, 209.132812 MB of memory in use. ENERGY: 4039200 761.0347 2110.6842 1939.1379 109.1724 -206663.7741 18248.1428 0.0000 0.0000 34379.6359 -149115.9661 300.2459 -183495.6020 -149026.5903 298.9334 216.4894 252.3559 555734.9651 -10.8121 -11.0167 PRESSURE: 4039400 -300.579 -53.5509 -48.9753 -53.5514 -167.161 71.536 -48.9752 71.535 -337.374 GPRESSURE: 4039400 -216.244 -52.5919 21.3956 -69.2991 -218.298 28.0335 -22.2895 69.9624 -265.453 PRESSAVG: 4039400 63.1215 48.8158 -57.679 48.8159 8.70346 20.7101 -57.6791 20.7101 -13.5062 GPRESSAVG: 4039400 64.4836 48.3716 -57.6361 47.8234 7.64041 22.5546 -56.414 19.9361 -13.6619 TIMING: 4039400 CPU: 12147.4, 0.00299087/step Wall: 12147.4, 0.00299087/step, 0.798064 hours remaining, 209.132812 MB of memory in use. ENERGY: 4039400 769.9554 2092.5528 1938.3768 116.5090 -206113.0664 17484.5910 0.0000 0.0000 34560.2085 -149150.8728 301.8229 -183711.0813 -149045.6083 300.6129 -268.3714 -233.3317 557378.2471 19.4396 19.4874 PRESSURE: 4039600 172.498 67.0597 -26.8641 67.0588 -190.61 15.3686 -26.8643 15.3679 -184.68 GPRESSURE: 4039600 225.326 186.705 82.1451 18.6222 -195.619 37.355 -115.043 -5.63582 -143.972 PRESSAVG: 4039600 -52.2371 20.2467 2.51569 20.2467 79.0288 3.8995 2.51575 3.8994 -40.6242 GPRESSAVG: 4039600 -52.1908 19.9763 -0.0864446 21.2621 79.6432 4.59786 2.50934 1.8805 -40.9501 TIMING: 4039600 CPU: 12148, 0.00295899/step Wall: 12148, 0.00295899/step, 0.789392 hours remaining, 209.132812 MB of memory in use. ENERGY: 4039600 746.3483 2131.3008 1974.4779 108.2524 -205980.5385 17585.3546 0.0000 0.0000 34269.2683 -149165.5361 299.2820 -183434.8044 -149064.4487 300.7108 -67.5974 -38.0882 557913.8770 -4.6108 -4.4992 PRESSURE: 4039800 -90.251 -69.9585 -9.02438 -69.9595 178.791 -18.3826 -9.02458 -18.3839 -93.068 GPRESSURE: 4039800 -50.5512 -54.3682 79.6683 -72.0654 173.454 -25.8764 -48.1508 13.5343 -22.6959 PRESSAVG: 4039800 7.25721 -14.74 56.163 -14.74 60.4881 -18.1282 56.1631 -18.1281 -75.9855 GPRESSAVG: 4039800 6.94299 -15.5381 59.8028 -13.1491 61.3552 -19.6688 54.6501 -17.338 -75.6278 TIMING: 4039800 CPU: 12148.6, 0.00293389/step Wall: 12148.6, 0.00293389/step, 0.782535 hours remaining, 209.132812 MB of memory in use. ENERGY: 4039800 784.9304 2075.6839 1943.7231 108.9808 -206386.1857 17877.3567 0.0000 0.0000 34306.1128 -149289.3981 299.6038 -183595.5109 -149193.8611 299.9436 -1.5092 33.4025 557679.8115 -2.7467 -2.4432 PRESSURE: 4040000 -86.79 32.4483 -35.1205 32.4486 -271.266 47.2517 -35.1194 47.2505 -231.548 GPRESSURE: 4040000 -104.321 113.102 -87.5528 2.40798 -200.26 65.5591 -50.7134 2.68532 -185.884 PRESSAVG: 4040000 -40.3696 8.41436 16.2786 8.41431 81.4661 -15.1213 16.2785 -15.1214 1.62767 GPRESSAVG: 4040000 -39.2223 10.2611 13.9053 6.7952 80.7954 -15.7311 17.4436 -12.7391 0.825473 TIMING: 4040000 CPU: 12149.2, 0.00293655/step Wall: 12149.2, 0.00293655/step, 0.783081 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: 4040000 714.4125 2123.8241 1928.7379 112.4147 -205779.4617 17429.9896 0.0000 0.0000 34107.6260 -149362.4570 297.8704 -183470.0829 -149262.8537 298.3826 -196.5347 -163.4881 557422.2118 14.2414 14.1329 PRESSURE: 4040200 9.69092 -32.1401 -5.28046 -32.1405 100.279 -90.5017 -5.28038 -90.5033 -93.8058 GPRESSURE: 4040200 99.36 -36.7038 43.6748 -34.0509 156.189 -30.4335 23.5814 -149.19 -130.712 PRESSAVG: 4040200 -47.5208 -4.20921 67.9146 -4.20926 -30.0296 -35.5595 67.9147 -35.5595 73.4739 GPRESSAVG: 4040200 -48.8194 -3.973 67.386 -5.13784 -27.9062 -33.8775 67.6136 -36.5595 72.3482 TIMING: 4040200 CPU: 12149.8, 0.00296872/step Wall: 12149.8, 0.00296872/step, 0.791493 hours remaining, 209.132812 MB of memory in use. ENERGY: 4040200 745.3415 2014.1570 1967.6787 111.4669 -206040.3065 17633.3443 0.0000 0.0000 34358.5156 -149209.8025 300.0615 -183568.3181 -149122.8438 299.1658 5.3881 41.6124 556463.0776 -1.3588 -1.4591 LDB: ============= START OF LOAD BALANCING ============== 12153.3 LDB: ============== END OF LOAD BALANCING =============== 12153.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12153.3 LDB: ============= START OF LOAD BALANCING ============== 12153.6 LDB: Largest compute 4773 load 0.028129 is 23.8% of average load 0.118218 LDB: Average compute 0.001725 is 1.5% of average load 0.118218 LDB: TIME 12153.6 LOAD: AVG 0.118218 MAX 0.207167 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 12153.6 LOAD: AVG 0.118218 MAX 0.207167 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: TIME 12153.6 LOAD: AVG 0.118218 MAX 0.207167 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12153.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12153.6 PRESSURE: 4040400 51.2823 24.5992 8.03096 24.5984 273.336 18.5367 8.03111 18.5359 57.6966 GPRESSURE: 4040400 58.1851 8.59412 -4.29998 57.7089 324.875 -16.0391 4.04751 68.4148 96.1924 PRESSAVG: 4040400 -14.988 -63.9811 35.3652 -63.9812 -12.4835 12.829 35.3652 12.829 12.0204 GPRESSAVG: 4040400 -14.0643 -66.0696 38.3007 -62.4826 -14.1144 12.2311 34.5731 14.1758 12.5176 TIMING: 4040400 CPU: 12150.4, 0.00301662/step Wall: 12150.4, 0.00301662/step, 0.804096 hours remaining, 208.906250 MB of memory in use. ENERGY: 4040400 731.4823 2012.8660 1922.3577 109.7274 -206378.2015 17896.8490 0.0000 0.0000 34340.4130 -149364.5061 299.9034 -183704.9191 -149272.2260 299.6594 127.4383 159.7508 555729.8420 -5.1504 -5.2204 PRESSURE: 4040600 -17.5649 16.6282 95.692 16.6275 4.55155 -101.376 95.6918 -101.375 61.212 GPRESSURE: 4040600 -26.3482 19.34 23.1713 -53.3579 63.7692 -136.819 63.5645 -140.73 111.454 PRESSAVG: 4040600 26.6818 8.79445 1.93489 8.79436 14.1878 -1.79432 1.93495 -1.79421 11.0044 GPRESSAVG: 4040600 26.1336 11.6892 1.94198 7.36892 14.9747 -2.70298 0.455903 -3.40272 11.4824 TIMING: 4040600 CPU: 12151, 0.00295941/step Wall: 12151, 0.00295941/step, 0.788684 hours remaining, 209.164062 MB of memory in use. ENERGY: 4040600 790.0617 2028.5005 1922.8238 113.2685 -206276.4458 17962.5064 0.0000 0.0000 33985.1222 -149474.1627 296.8005 -183459.2849 -149375.8443 299.1468 16.0662 49.6249 556568.2686 17.2914 17.5302 PRESSURE: 4040800 -318.78 -19.5772 -26.9189 -19.5769 -289.977 5.71002 -26.9189 5.70968 42.0932 GPRESSURE: 4040800 -279.998 -43.7859 -60.4603 159.231 -217.108 65.8199 30.8158 -34.0718 35.3732 PRESSAVG: 4040800 -29.5297 -48.4284 26.1977 -48.4284 74.9094 -42.9049 26.1978 -42.9049 -29.3711 GPRESSAVG: 4040800 -30.0522 -53.781 26.1721 -44.9215 75.1467 -40.9163 28.3052 -41.3702 -29.4885 TIMING: 4040800 CPU: 12151.6, 0.00294139/step Wall: 12151.6, 0.00294139/step, 0.783717 hours remaining, 209.164062 MB of memory in use. ENERGY: 4040800 768.8349 2074.5374 1930.1691 103.0391 -205937.5987 17567.2315 0.0000 0.0000 34178.9594 -149314.8273 298.4934 -183493.7867 -149211.0232 299.1173 -188.8879 -153.9109 558498.3098 5.3362 5.2020 PRESSURE: 4041000 -74.8012 32.5551 41.9035 32.5547 -90.1888 148.284 41.9045 148.283 85.3377 GPRESSURE: 4041000 -18.1747 15.4305 69.7608 46.5429 -57.7756 74.1842 -23.8826 199.43 88.7956 PRESSAVG: 4041000 -60.4074 -26.2865 32.6067 -26.2865 53.8656 20.5788 32.6067 20.5788 8.56298 GPRESSAVG: 4041000 -59.5621 -21.8299 31.5377 -28.3976 52.7836 19.3326 33.244 19.1051 8.54878 TIMING: 4041000 CPU: 12152.2, 0.00296107/step Wall: 12152.2, 0.00296107/step, 0.788797 hours remaining, 209.164062 MB of memory in use. ENERGY: 4041000 759.5417 2079.4876 1923.6486 117.1568 -206096.6761 17828.5183 0.0000 0.0000 34060.1511 -149328.1720 297.4558 -183388.3231 -149235.2235 298.7604 -26.5508 4.2818 557553.6544 0.6737 0.5901 PRESSURE: 4041200 -99.0789 -39.4079 23.7141 -39.4083 -230.684 -15.63 23.7136 -15.6312 88.2587 GPRESSURE: 4041200 -27.5286 4.16095 -100.425 -36.6431 -236.14 16.1553 124.707 -33.0381 132.162 PRESSAVG: 4041200 -14.5617 2.21124 29.3528 2.21125 -9.82525 -28.1519 29.3528 -28.1519 12.3932 GPRESSAVG: 4041200 -14.4791 1.09306 28.9233 0.791873 -8.97764 -27.0081 28.5851 -28.6211 12.0452 TIMING: 4041200 CPU: 12152.8, 0.00298141/step Wall: 12152.8, 0.00298141/step, 0.794048 hours remaining, 209.164062 MB of memory in use. ENERGY: 4041200 731.4239 2114.3939 1926.0936 99.9881 -206265.0427 17694.4104 0.0000 0.0000 34266.1512 -149432.5816 299.2548 -183698.7328 -149347.2831 298.7287 -80.5015 -43.8354 556473.2308 -3.9979 -3.8039 PRESSURE: 4041400 -108.583 -68.3919 -138.794 -68.3911 73.3613 106.055 -138.795 106.056 133.974 GPRESSURE: 4041400 -71.4964 -32.7132 -126.317 -52.1839 66.802 94.6005 -63.4643 125.001 206.788 PRESSAVG: 4041400 -19.3719 -25.2516 47.5512 -25.2515 34.104 -18.4136 47.5512 -18.4137 14.3607 GPRESSAVG: 4041400 -19.3063 -25.5746 49.3461 -24.4274 33.1659 -18.8499 48.5556 -17.8862 14.91 TIMING: 4041400 CPU: 12153.4, 0.00296614/step Wall: 12153.4, 0.00296614/step, 0.789816 hours remaining, 209.164062 MB of memory in use. ENERGY: 4041400 718.4151 2061.2000 1928.3533 111.7707 -206125.6413 17855.3999 0.0000 0.0000 33974.0100 -149476.4923 296.7035 -183450.5023 -149377.0208 298.5854 32.9173 67.3646 558927.2975 9.6976 9.5899 PRESSURE: 4041600 81.5473 32.1781 -117.125 32.1789 294.831 41.4875 -117.125 41.4854 -124.79 GPRESSURE: 4041600 122.694 76.5116 -31.4324 -25.4192 321.959 13.7753 -69.2991 77.4614 -90.7502 PRESSAVG: 4041600 -80.5658 41.383 -6.37364 41.383 14.979 -20.534 -6.37361 -20.534 35.2222 GPRESSAVG: 4041600 -80.8373 41.0773 -8.00458 42.2971 15.742 -22.362 -6.95534 -21.2443 34.8315 TIMING: 4041600 CPU: 12154, 0.00298826/step Wall: 12154, 0.00298826/step, 0.795542 hours remaining, 209.164062 MB of memory in use. ENERGY: 4041600 753.9024 2085.7873 1926.2442 98.9873 -206798.3161 18166.0378 0.0000 0.0000 34347.5435 -149419.8136 299.9656 -183767.3571 -149329.5133 298.9305 83.8627 117.9674 556817.0942 -10.1215 -10.0879 PRESSURE: 4041800 -320.7 115.391 114.161 115.39 -207.727 56.7265 114.16 56.7273 -171.487 GPRESSURE: 4041800 -276.137 89.0292 95.8864 173.1 -189.055 21.0581 178.548 33.7021 -127.304 PRESSAVG: 4041800 -55.1539 7.39354 12.7661 7.39362 53.5528 69.1679 12.766 69.1678 -12.2435 GPRESSAVG: 4041800 -55.1853 7.58837 13.8401 7.8967 52.6605 67.8367 13.1815 72.4273 -12.0107 TIMING: 4041800 CPU: 12154.6, 0.00295996/step Wall: 12154.6, 0.00295996/step, 0.787844 hours remaining, 209.164062 MB of memory in use. ENERGY: 4041800 769.1720 2065.1630 1943.0804 120.0055 -206101.0921 17679.9343 0.0000 0.0000 34268.5956 -149255.1414 299.2762 -183523.7369 -149161.8564 299.3029 -233.3047 -197.4985 558818.6005 -4.6149 -4.8452 PRESSURE: 4042000 -65.7677 20.9758 171.181 20.975 181.9 58.6639 171.182 58.6643 63.3178 GPRESSURE: 4042000 -34.1172 106.152 89.2427 4.75693 234.311 24.5702 213.782 77.39 78.2405 PRESSAVG: 4042000 10.9107 32.118 -13.7946 32.1179 -2.51548 -13.7964 -13.7947 -13.7964 20.828 GPRESSAVG: 4042000 10.0573 34.0287 -15.8704 29.8895 -1.95688 -10.2867 -11.8381 -17.0633 21.5659 TIMING: 4042000 CPU: 12155.2, 0.00298192/step Wall: 12155.2, 0.00298192/step, 0.793523 hours remaining, 209.164062 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: 4042000 770.4407 2084.1839 1917.8087 108.4625 -206065.7206 17956.4208 0.0000 0.0000 33941.9649 -149286.4391 296.4236 -183228.4040 -149193.6469 299.0687 59.8169 92.8115 559095.0506 9.7411 9.8888 PRESSURE: 4042200 36.4829 260.215 -159.101 260.216 -27.4935 86.4288 -159.102 86.4305 -66.1271 GPRESSURE: 4042200 72.8653 206.321 -86.6106 238.283 -43.9357 147.819 -169.445 101.402 4.97343 PRESSAVG: 4042200 -58.3112 69.5806 -25.165 69.5806 48.7895 -12.7427 -25.165 -12.7427 -33.259 GPRESSAVG: 4042200 -57.7739 68.2477 -24.6981 69.6234 48.0054 -14.1461 -27.3961 -11.7468 -32.7534 TIMING: 4042200 CPU: 12155.7, 0.00295318/step Wall: 12155.7, 0.00295318/step, 0.785711 hours remaining, 209.164062 MB of memory in use. ENERGY: 4042200 778.6134 2050.3189 1956.4785 123.7143 -206437.1243 18047.8046 0.0000 0.0000 34269.7283 -149210.4665 299.2861 -183480.1948 -149117.6429 298.6069 -19.0459 11.3010 558830.0392 -14.2602 -14.1740 PRESSURE: 4042400 10.6468 -119.93 104.283 -119.932 54.6823 135.274 104.282 135.275 0.982877 GPRESSURE: 4042400 33.8331 -85.0806 44.7583 -81.737 82.8305 112.033 65.3048 32.4831 41.2505 PRESSAVG: 4042400 1.51525 -20.5109 6.08818 -20.5107 9.83304 45.0025 6.0881 45.0025 14.0861 GPRESSAVG: 4042400 1.80589 -20.9305 9.04199 -19.2561 10.9032 45.3128 6.7096 45.4345 12.1189 TIMING: 4042400 CPU: 12156.3, 0.00296096/step Wall: 12156.3, 0.00296096/step, 0.787616 hours remaining, 209.222656 MB of memory in use. ENERGY: 4042400 749.1524 2065.4678 1957.9961 104.2654 -206157.2277 17993.8377 0.0000 0.0000 34068.4181 -149218.0903 297.5280 -183286.5084 -149120.5804 298.8673 22.1040 52.6380 559193.7124 8.4781 8.2760 PRESSURE: 4042600 205.813 31.5799 -93.9059 31.5797 -139.959 -85.7856 -93.9064 -85.7844 -427.662 GPRESSURE: 4042600 188.496 -56.2425 -77.7264 60.1464 -116.53 -155.411 -79.9719 -23.0831 -332.143 PRESSAVG: 4042600 -3.55157 18.3334 -35.8766 18.3334 -25.2108 -33.1341 -35.8767 -33.1341 -13.9545 GPRESSAVG: 4042600 -4.74359 17.6874 -39.3178 19.6796 -24.5286 -33.2609 -33.9192 -31.9271 -13.2176 TIMING: 4042600 CPU: 12156.9, 0.0029664/step Wall: 12156.9, 0.0029664/step, 0.788898 hours remaining, 209.222656 MB of memory in use. ENERGY: 4042600 739.5115 2110.1766 1971.3406 108.2864 -205889.2487 17780.1667 0.0000 0.0000 33895.7411 -149284.0257 296.0199 -183179.7668 -149191.3679 298.9974 -120.6026 -86.7258 559935.3502 -14.2389 -14.1633 PRESSURE: 4042800 -50.4521 -16.8128 43.6124 -16.8119 46.5711 -98.8662 43.6134 -98.8665 -17.8145 GPRESSURE: 4042800 22.9424 -29.6164 2.0066 5.40515 83.5395 -134.484 28.1119 -42.994 -24.2249 PRESSAVG: 4042800 12.9737 -27.4548 -38.505 -27.4548 15.4644 -5.16146 -38.505 -5.16147 -3.35015 GPRESSAVG: 4042800 12.8078 -25.884 -36.7686 -29.2172 15.753 -5.48717 -39.0874 -5.14704 -4.06044 TIMING: 4042800 CPU: 12157.5, 0.00299692/step Wall: 12157.5, 0.00299692/step, 0.796849 hours remaining, 209.222656 MB of memory in use. ENERGY: 4042800 751.8187 2135.9891 1935.0845 107.3521 -206635.0019 17860.4139 0.0000 0.0000 34328.4139 -149515.9296 299.7986 -183844.3435 -149422.2361 298.0648 -7.2318 27.4190 556684.6782 8.3627 8.1668 PRESSURE: 4043000 -43.5167 -84.9156 60.0219 -84.9148 38.5659 -10.9952 60.0222 -10.9934 -86.1976 GPRESSURE: 4043000 -43.6328 -48.9755 125.172 -155.897 108.279 64.6538 -12.4542 -35.0019 -64.2542 PRESSAVG: 4043000 -48.404 -8.657 12.5689 -8.65691 50.0839 -18.0173 12.5689 -18.0174 17.9489 GPRESSAVG: 4043000 -47.8313 -9.50708 11.0798 -9.29195 50.0709 -16.9945 13.7805 -19.0633 17.3515 TIMING: 4043000 CPU: 12158.1, 0.00298068/step Wall: 12158.1, 0.00298068/step, 0.792364 hours remaining, 209.222656 MB of memory in use. ENERGY: 4043000 713.6697 2079.0836 1957.4366 112.6203 -206602.8666 17968.5260 0.0000 0.0000 34249.4314 -149522.0990 299.1088 -183771.5304 -149430.3286 297.6757 -30.3828 0.1306 558226.9154 6.5429 6.5303 PRESSURE: 4043200 -236.511 101.317 162.878 101.317 90.9086 -125.064 162.876 -125.064 41.9906 GPRESSURE: 4043200 -187.992 136.886 40.3075 94.7188 113.111 -171.964 103.572 -146.73 69.824 PRESSAVG: 4043200 -11.3165 -115.5 10.8615 -115.501 -6.43133 18.3258 10.8614 18.326 40.0121 GPRESSAVG: 4043200 -10.2322 -115.356 10.5522 -114.29 -7.53065 20.0902 9.81806 16.7978 39.9815 TIMING: 4043200 CPU: 12158.7, 0.00296593/step Wall: 12158.7, 0.00296593/step, 0.788279 hours remaining, 209.222656 MB of memory in use. ENERGY: 4043200 754.7316 2086.5454 1954.4808 115.4576 -206706.0991 18094.8811 0.0000 0.0000 33972.8464 -149727.1563 296.6933 -183700.0027 -149631.8188 298.1845 -34.5373 -1.6855 556262.9077 7.4214 7.4062 PRESSURE: 4043400 203.489 3.37392 65.9917 3.37217 285.252 9.42599 65.9927 9.42672 -108.07 GPRESSURE: 4043400 185.247 -18.6414 61.4354 96.2134 337.422 57.4899 89.9623 -55.4209 -38.8392 PRESSAVG: 4043400 -84.0591 -31.0868 -14.0481 -31.087 36.4835 23.1891 -14.0481 23.1891 61.1708 GPRESSAVG: 4043400 -85.5614 -31.5439 -13.5889 -31.2983 36.9643 21.3274 -14.3555 26.3811 62.2023 TIMING: 4043400 CPU: 12159.3, 0.00293758/step Wall: 12159.3, 0.00293758/step, 0.780579 hours remaining, 209.222656 MB of memory in use. ENERGY: 4043400 754.0959 2039.2443 1944.1452 118.8505 -206833.5949 18074.8021 0.0000 0.0000 34242.2200 -149660.2370 299.0458 -183902.4570 -149560.4322 297.6920 126.8903 161.2763 555490.6197 4.5317 4.5351 PRESSURE: 4043600 -157.846 158.556 186.478 158.556 -91.1207 63.2383 186.478 63.2391 -158.046 GPRESSURE: 4043600 -149.167 153.004 259.241 132.784 -41.0558 60.9473 93.1229 122.135 -109.772 PRESSAVG: 4043600 -64.9648 17.446 -26.7951 17.4459 82.1593 2.72812 -26.7952 2.72808 -5.58079 GPRESSAVG: 4043600 -63.8972 18.8693 -25.8408 18.4517 79.7518 3.16703 -26.6577 0.946586 -4.58414 TIMING: 4043600 CPU: 12159.9, 0.00296025/step Wall: 12159.9, 0.00296025/step, 0.78644 hours remaining, 209.222656 MB of memory in use. ENERGY: 4043600 711.9228 2036.6888 1950.2491 93.0370 -206750.6052 17836.6989 0.0000 0.0000 34408.8986 -149713.1100 300.5015 -184122.0086 -149621.7317 298.3008 -135.6710 -99.9984 557455.1642 3.8712 3.7568 PRESSURE: 4043800 1.58027 206.46 104.513 206.46 44.9721 -26.2515 104.514 -26.2517 40.3789 GPRESSURE: 4043800 22.1474 145.242 112.088 223.85 118.114 -52.234 79.8894 38.7506 35.7193 PRESSAVG: 4043800 66.8014 43.3986 -6.47609 43.3986 0.876031 -0.111684 -6.47605 -0.11156 -81.3752 GPRESSAVG: 4043800 66.6466 43.2856 -6.89694 41.3216 0.754926 -1.84162 -6.28049 0.618887 -81.5827 TIMING: 4043800 CPU: 12160.5, 0.00297811/step Wall: 12160.5, 0.00297811/step, 0.791018 hours remaining, 209.234375 MB of memory in use. ENERGY: 4043800 745.3241 2116.6826 1969.0898 111.3547 -206707.5148 17958.7772 0.0000 0.0000 34226.9231 -149579.3634 298.9122 -183806.2865 -149482.4370 298.9577 28.9771 58.6601 557396.0243 -4.5659 -4.7270 PRESSURE: 4044000 81.119 75.5834 -220.305 75.5838 -3.07931 6.27154 -220.306 6.27226 -350.587 GPRESSURE: 4044000 120.331 -107.59 -208.956 171.305 -27.2551 20.3552 -265.078 2.73103 -270.901 PRESSAVG: 4044000 -28.4717 41.9198 37.0922 41.9199 6.49277 32.9727 37.0922 32.9727 46.4853 GPRESSAVG: 4044000 -29.6741 40.3782 36.7937 41.2201 7.74663 33.3522 37.3047 32.9541 45.885 TIMING: 4044000 CPU: 12161.1, 0.00296546/step Wall: 12161.1, 0.00296546/step, 0.787494 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: 4044000 730.7552 2115.3560 1953.2218 111.5052 -206316.8421 17741.5460 0.0000 0.0000 33971.7618 -149692.6962 296.6838 -183664.4580 -149596.0103 298.2292 -90.8492 -59.2748 556917.1073 8.1688 7.9858 PRESSURE: 4044200 -98.2595 96.8368 -112.222 96.8361 330.568 64.7483 -112.222 64.7471 273.109 GPRESSURE: 4044200 -10.1269 136.598 -107.719 99.835 317.447 66.1712 -64.618 79.3843 288.949 PRESSAVG: 4044200 38.3653 47.7874 -19.3165 47.7874 21.6457 2.39485 -19.3166 2.39493 -54.9091 GPRESSAVG: 4044200 38.466 47.2856 -18.5794 48.2956 20.9199 3.46199 -19.0579 1.78619 -55.072 TIMING: 4044200 CPU: 12161.7, 0.00298719/step Wall: 12161.7, 0.00298719/step, 0.793098 hours remaining, 209.234375 MB of memory in use. ENERGY: 4044200 709.3902 2143.7723 1948.9020 120.1109 -206895.4613 18098.8084 0.0000 0.0000 34108.9060 -149765.5715 297.8816 -183874.4775 -149671.0552 298.2150 168.4725 198.7565 556087.5780 1.7006 1.4380 LDB: ============= START OF LOAD BALANCING ============== 12165.2 LDB: ============== END OF LOAD BALANCING =============== 12165.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12165.2 LDB: ============= START OF LOAD BALANCING ============== 12165.5 LDB: Largest compute 4773 load 0.027474 is 23.2% of average load 0.118184 LDB: Average compute 0.001727 is 1.5% of average load 0.118184 LDB: TIME 12165.5 LOAD: AVG 0.118184 MAX 0.210314 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.395 MB LDB: TIME 12165.5 LOAD: AVG 0.118184 MAX 0.210314 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.395 MB LDB: TIME 12165.5 LOAD: AVG 0.118184 MAX 0.210314 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.395 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12165.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12165.5 PRESSURE: 4044400 35.0989 -53.3269 -21.5163 -53.3263 172.453 -14.7821 -21.5164 -14.782 120.737 GPRESSURE: 4044400 60.5771 1.83067 -36.8293 -46.0965 192.527 28.2491 -18.0893 43.51 171.009 PRESSAVG: 4044400 -33.5247 28.0854 -46.1032 28.0854 21.0193 21.4163 -46.1032 21.4164 43.9417 GPRESSAVG: 4044400 -34.2479 28.4453 -44.9754 28.8381 21.4421 21.5347 -48.0476 22.7576 44.1799 TIMING: 4044400 CPU: 12162.3, 0.0030491/step Wall: 12162.3, 0.0030491/step, 0.809365 hours remaining, 207.882812 MB of memory in use. ENERGY: 4044400 724.0061 2063.2758 1946.5485 130.3765 -207102.6103 18162.8042 0.0000 0.0000 34317.0327 -149758.5664 299.6992 -184075.5991 -149652.8315 298.5471 109.4295 141.3713 555562.6645 10.4788 10.4580 PRESSURE: 4044600 -16.7687 -120.421 4.55044 -120.422 -49.3322 -107.26 4.55215 -107.26 141.895 GPRESSURE: 4044600 18.4685 -106.151 4.46464 -155.872 -41.6898 -20.2609 -23.3136 -109.977 190.461 PRESSAVG: 4044600 -95.6063 -11.729 -11.9913 -11.7291 28.9722 -9.99545 -11.9913 -9.99543 43.8907 GPRESSAVG: 4044600 -95.4998 -12.6749 -13.6395 -12.5604 28.376 -9.64553 -9.85997 -9.28934 44.2501 TIMING: 4044600 CPU: 12162.9, 0.0029928/step Wall: 12162.9, 0.0029928/step, 0.794255 hours remaining, 207.882812 MB of memory in use. ENERGY: 4044600 730.9551 2122.3128 1943.3964 118.1637 -206459.0636 17841.2050 0.0000 0.0000 33936.3116 -149766.7191 296.3742 -183703.0306 -149663.8823 297.7476 25.2648 55.7467 557770.7676 -7.5812 -7.6246 PRESSURE: 4044800 91.5846 -36.996 20.8811 -36.9957 -63.5582 29.2053 20.8804 29.207 -235.047 GPRESSURE: 4044800 47.549 -19.6359 -16.0195 41.4182 -13.4442 4.55148 44.4214 46.6296 -162.86 PRESSAVG: 4044800 -23.934 -37.2106 9.62483 -37.2106 -15.6772 10.7678 9.62483 10.7679 53.1796 GPRESSAVG: 4044800 -24.3836 -35.0743 11.1351 -37.7529 -15.3177 11.4938 7.47284 6.81822 53.3714 TIMING: 4044800 CPU: 12163.5, 0.00301102/step Wall: 12163.5, 0.00301102/step, 0.798925 hours remaining, 207.882812 MB of memory in use. ENERGY: 4044800 761.4767 2095.3571 1920.2386 118.1488 -206612.3975 17884.7654 0.0000 0.0000 34126.1285 -149706.2824 298.0320 -183832.4109 -149611.5125 297.6507 -69.0067 -42.9186 557851.4696 4.5228 4.5567 PRESSURE: 4045000 -199.371 -48.6442 30.8672 -48.645 -31.6095 -9.84567 30.8666 -9.84546 -150.502 GPRESSURE: 4045000 -197.599 -92.6378 -50.1838 -72.355 45.6752 -71.7482 67.781 14.8738 -133.962 PRESSAVG: 4045000 -19.4668 52.2979 -61.3903 52.2979 65.8443 -52.7746 -61.3903 -52.7746 -24.4707 GPRESSAVG: 4045000 -16.8581 54.3886 -62.7444 50.4548 65.2454 -55.6219 -60.2673 -49.8875 -26.4558 TIMING: 4045000 CPU: 12164.1, 0.0029914/step Wall: 12164.1, 0.0029914/step, 0.793552 hours remaining, 207.882812 MB of memory in use. ENERGY: 4045000 781.0147 2152.7122 1955.7798 112.5598 -206280.0358 17724.5808 0.0000 0.0000 34307.9123 -149245.4762 299.6195 -183553.3885 -149151.1615 298.3505 -127.1608 -95.2950 556190.2977 7.3023 7.3105 PRESSURE: 4045200 -102.978 126.626 -76.6585 126.626 57.1708 -19.0108 -76.6584 -19.0121 213.04 GPRESSURE: 4045200 -52.0129 90.0349 -5.72698 85.9579 89.2742 -52.4181 -108.022 -19.4013 211.388 PRESSAVG: 4045200 -90.7811 60.5388 -71.1533 60.5389 31.1986 -14.6582 -71.1533 -14.6582 35.0613 GPRESSAVG: 4045200 -91.9654 55.7704 -69.3113 63.2522 31.0426 -12.1001 -72.151 -14.9937 36.3981 TIMING: 4045200 CPU: 12164.7, 0.00300929/step Wall: 12164.7, 0.00300929/step, 0.798131 hours remaining, 207.882812 MB of memory in use. ENERGY: 4045200 711.4280 2096.6857 1912.2759 118.0229 -206240.5761 17792.4090 0.0000 0.0000 34343.5397 -149266.2150 299.9307 -183609.7547 -149163.0948 299.1357 55.7444 82.8830 557582.6523 -8.1738 -8.1749 PRESSURE: 4045400 52.8809 -10.7796 -64.3251 -10.7796 -75.679 -147.523 -64.3257 -147.523 -36.9732 GPRESSURE: 4045400 91.8108 65.0239 1.69822 -39.8642 -16.9499 -178.532 -112.596 -87.2915 -39.2628 PRESSAVG: 4045400 -76.7751 35.4231 -12.1125 35.4232 39.9644 -36.7482 -12.1125 -36.7482 24.2739 GPRESSAVG: 4045400 -76.8721 38.2624 -14.4757 33.7004 39.8238 -38.1501 -11.1106 -36.2122 24.8848 TIMING: 4045400 CPU: 12165.3, 0.00299088/step Wall: 12165.3, 0.00299088/step, 0.793081 hours remaining, 207.882812 MB of memory in use. ENERGY: 4045400 725.9408 2116.5692 1911.3119 112.4925 -206272.1982 17692.1689 0.0000 0.0000 34460.9147 -149252.8001 300.9557 -183713.7149 -149155.4151 299.6537 -19.9237 11.8660 556433.4497 -4.1790 -4.0545 PRESSURE: 4045600 -29.2547 218.078 23.0277 218.078 -8.44827 -186.735 23.026 -186.735 72.3019 GPRESSURE: 4045600 16.2527 264.405 99.7521 175.172 17.6091 -194.112 84.2839 -195.57 109.195 PRESSAVG: 4045600 -27.8572 -19.7784 -24.0947 -19.7784 -7.59525 -8.05224 -24.0946 -8.05219 42.8465 GPRESSAVG: 4045600 -28.6177 -21.9907 -22.7875 -16.2654 -6.5251 -7.00512 -24.6131 -10.4296 42.7243 TIMING: 4045600 CPU: 12165.9, 0.00299601/step Wall: 12165.9, 0.00299601/step, 0.794276 hours remaining, 207.882812 MB of memory in use. ENERGY: 4045600 745.7512 2117.4473 1927.6329 104.3487 -206340.6119 17830.2166 0.0000 0.0000 34297.8358 -149317.3793 299.5315 -183615.2151 -149218.1277 299.8335 11.5330 47.6857 556242.7111 2.4647 2.5272 PRESSURE: 4045800 117.47 98.1786 19.6957 98.1787 -76.2109 -73.9925 19.6946 -73.9928 127.636 GPRESSURE: 4045800 117.832 113.826 13.8355 80.7555 -4.75778 -177.794 39.2427 -54.9547 161.002 PRESSAVG: 4045800 -25.6133 28.4272 27.2124 28.4272 -2.2577 -95.8796 27.2123 -95.8794 17.0128 GPRESSAVG: 4045800 -25.8356 29.605 26.1058 27.333 -2.16763 -95.5645 26.1599 -94.6619 17.3309 TIMING: 4045800 CPU: 12166.5, 0.00298985/step Wall: 12166.5, 0.00298985/step, 0.792476 hours remaining, 207.882812 MB of memory in use. ENERGY: 4045800 740.8415 2131.2530 1944.8919 113.1249 -206469.2265 17970.7761 0.0000 0.0000 34332.0560 -149236.2830 299.8304 -183568.3390 -149141.1069 299.3425 56.2982 91.3587 557356.0851 -3.6194 -3.5574 PRESSURE: 4046000 -103.811 -286.412 -14.6625 -286.41 54.5961 74.9647 -14.6621 74.9658 -147.097 GPRESSURE: 4046000 -27.8801 -299.892 -73.7794 -304.931 26.1881 158.671 -94.3024 37.9528 -101.809 PRESSAVG: 4046000 -22.6875 -5.07286 -28.6417 -5.0728 -2.63541 -73.1186 -28.6416 -73.1186 -1.28116 GPRESSAVG: 4046000 -20.2246 -6.15025 -27.9836 -4.65208 -3.74537 -74.7976 -27.5169 -72.805 -2.81944 TIMING: 4046000 CPU: 12167.1, 0.00297046/step Wall: 12167.1, 0.00297046/step, 0.787172 hours remaining, 207.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4046000 731.7944 2122.4513 1967.6368 127.3375 -205877.0096 17640.0593 0.0000 0.0000 34172.5920 -149115.1384 298.4377 -183287.7304 -149022.2535 299.2710 -65.4372 -34.5002 557179.3137 -8.8680 -8.9298 PRESSURE: 4046200 -127.614 -35.9991 -27.1453 -36.0005 68.7691 -15.9483 -27.1459 -15.9485 -78.04 GPRESSURE: 4046200 -35.1783 -70.2577 -17.7789 -114.115 2.45095 -20.1722 -34.2053 -79.2538 -1.13736 PRESSAVG: 4046200 23.5901 -91.7429 -5.69377 -91.7429 13.6303 17.3809 -5.69383 17.381 -50.3001 GPRESSAVG: 4046200 21.9646 -91.3531 -4.45684 -92.5634 13.3627 17.3814 -5.83478 17.5909 -48.2328 TIMING: 4046200 CPU: 12167.7, 0.00296365/step Wall: 12167.7, 0.00296365/step, 0.785203 hours remaining, 207.882812 MB of memory in use. ENERGY: 4046200 719.4811 2087.1337 1920.4249 116.7214 -205896.1546 17716.1369 0.0000 0.0000 34273.6860 -149062.5706 299.3206 -183336.2566 -148964.0058 300.1881 -45.6282 -11.2882 558468.5955 -4.3599 -4.3018 PRESSURE: 4046400 175.814 -87.8349 89.314 -87.8343 7.39442 59.2077 89.313 59.208 434.894 GPRESSURE: 4046400 226.542 -125.732 142.572 -70.3986 59.4847 88.748 132.961 152.661 427.612 PRESSAVG: 4046400 -11.2069 -4.62279 11.9519 -4.6228 31.1823 5.59759 11.9519 5.59763 -18.0587 GPRESSAVG: 4046400 -12.5713 -4.3985 10.6948 -5.18022 32.9038 7.14523 13.0392 4.93983 -19.0587 TIMING: 4046400 CPU: 12168.3, 0.00297604/step Wall: 12168.3, 0.00297604/step, 0.788321 hours remaining, 207.882812 MB of memory in use. ENERGY: 4046400 739.7944 2099.4247 1942.1931 113.9106 -206321.0086 18062.7157 0.0000 0.0000 34414.3987 -148948.5714 300.5495 -183362.9701 -148853.9647 299.8134 206.0344 237.8796 556909.5665 0.6389 0.4246 PRESSURE: 4046600 24.2428 -2.35251 145.392 -2.35296 131.892 100.821 145.392 100.823 -146.443 GPRESSURE: 4046600 74.9539 51.9233 114.024 -70.0234 126.322 75.3076 162.168 137.845 -101.54 PRESSAVG: 4046600 -18.8782 -12.693 -56.2479 -12.6929 2.31836 80.296 -56.2479 80.2961 80.6885 GPRESSAVG: 4046600 -19.0449 -12.0143 -55.7848 -12.0518 2.04594 78.9338 -58.0533 80.8501 81.7855 TIMING: 4046600 CPU: 12168.9, 0.00297187/step Wall: 12168.9, 0.00297187/step, 0.787049 hours remaining, 207.882812 MB of memory in use. ENERGY: 4046600 775.8031 2115.6095 1944.0439 122.8719 -206258.9623 17724.0725 0.0000 0.0000 34524.6760 -149051.8855 301.5126 -183576.5615 -148953.5453 300.6833 3.2306 33.2455 557134.9723 21.3762 21.5955 PRESSURE: 4046800 49.0708 20.6756 10.564 20.6752 122.677 157.663 10.5641 157.664 65.74 GPRESSURE: 4046800 101.262 171.329 0.416503 -54.4947 144.182 130.551 71.7203 78.4487 90.395 PRESSAVG: 4046800 -20.4712 45.6723 0.530727 45.6722 88.7211 16.4779 0.530779 16.4779 -88.0041 GPRESSAVG: 4046800 -20.1225 44.8134 0.826576 43.9252 88.9948 14.8204 1.92404 15.9736 -88.0246 TIMING: 4046800 CPU: 12169.5, 0.00297654/step Wall: 12169.5, 0.00297654/step, 0.788123 hours remaining, 207.882812 MB of memory in use. ENERGY: 4046800 709.5710 2114.7063 1933.1781 107.9887 -206110.4974 17951.5825 0.0000 0.0000 34196.8775 -149096.5934 298.6498 -183293.4708 -148996.2907 300.4597 79.1627 111.9465 557811.3120 -6.5847 -6.3841 PRESSURE: 4047000 92.753 -85.4906 45.0093 -85.4908 19.4136 -149.675 45.0097 -149.675 -62.4792 GPRESSURE: 4047000 163.634 -100.071 56.7321 -105.84 1.62048 -162.761 70.8446 -84.7405 -16.2731 PRESSAVG: 4047000 29.2665 3.29487 6.18616 3.29478 -26.0247 -0.444738 6.18632 -0.444782 -6.13223 GPRESSAVG: 4047000 29.867 4.28292 4.60809 6.21104 -27.2408 3.57569 6.04895 -0.697161 -6.0387 TIMING: 4047000 CPU: 12170.1, 0.00298083/step Wall: 12170.1, 0.00298083/step, 0.789091 hours remaining, 207.882812 MB of memory in use. ENERGY: 4047000 740.5056 2087.5933 1933.6399 110.4343 -206361.6641 17861.3571 0.0000 0.0000 34306.4183 -149321.7156 299.6065 -183628.1339 -149228.9479 298.9823 16.5624 49.6604 556143.3972 -0.9635 -1.1375 PRESSURE: 4047200 -210.791 69.3912 41.9095 69.3909 -4.09774 91.4501 41.9104 91.4508 -22.2669 GPRESSURE: 4047200 -164.172 31.4742 0.440896 9.18065 -32.9259 99.977 49.4376 78.0673 56.4177 PRESSAVG: 4047200 -4.11579 -14.4245 9.12441 -14.4245 -10.6987 -37.0514 9.12444 -37.0514 36.832 GPRESSAVG: 4047200 -4.70161 -15.2172 13.5884 -13.9941 -9.00195 -37.5366 6.50342 -36.9057 35.4473 TIMING: 4047200 CPU: 12170.7, 0.00297257/step Wall: 12170.7, 0.00297257/step, 0.786741 hours remaining, 208.183594 MB of memory in use. ENERGY: 4047200 734.8125 2087.7525 1944.4812 117.0844 -206447.8421 17911.3471 0.0000 0.0000 34273.4092 -149378.9552 299.3182 -183652.3643 -149287.9622 299.0812 -79.0518 -46.8934 557757.6507 7.3392 7.2479 PRESSURE: 4047400 -33.6721 -14.0429 44.5748 -14.0437 -78.6717 -210.405 44.575 -210.406 -178.407 GPRESSURE: 4047400 20.6529 -87.1774 5.83944 77.1398 -24.1135 -249.983 124.652 -203.035 -196.621 PRESSAVG: 4047400 -21.6565 -8.57344 44.5113 -8.57342 38.2327 22.9421 44.5113 22.942 -45.9437 GPRESSAVG: 4047400 -22.0292 -8.84514 40.8142 -8.96123 37.9715 21.2421 47.6452 22.8543 -45.1817 TIMING: 4047400 CPU: 12171.2, 0.00294865/step Wall: 12171.2, 0.00294865/step, 0.780246 hours remaining, 208.183594 MB of memory in use. ENERGY: 4047400 782.6032 2104.1775 1961.0331 114.6579 -206244.6005 17971.6911 0.0000 0.0000 34059.6737 -149250.7639 297.4516 -183310.4376 -149156.1696 299.3579 -96.9168 -66.6940 558296.4873 -9.7892 -9.7464 PRESSURE: 4047600 -296.598 53.9641 -82.7803 53.9644 107.082 9.47368 -82.7811 9.47417 -116.392 GPRESSURE: 4047600 -240.188 93.3301 -62.6118 54.4763 121.994 18.726 -106.651 -13.0608 -93.8472 PRESSAVG: 4047600 -54.6375 -9.39092 -35.3955 -9.39094 90.8507 44.2975 -35.3956 44.2975 -21.0483 GPRESSAVG: 4047600 -53.5723 -9.24426 -33.5342 -8.75946 89.6493 43.5272 -34.7478 47.0285 -20.626 TIMING: 4047600 CPU: 12171.8, 0.00294045/step Wall: 12171.8, 0.00294045/step, 0.777913 hours remaining, 208.183594 MB of memory in use. ENERGY: 4047600 734.1094 2075.0859 1914.4470 107.6724 -206192.5734 17755.4971 0.0000 0.0000 34382.9850 -149222.7766 300.2752 -183605.7616 -149125.5700 298.9810 -101.9693 -70.6805 558476.5525 5.0549 5.1503 PRESSURE: 4047800 245.406 -74.1482 86.5474 -74.148 -7.90046 23.0039 86.547 23.0036 -166.108 GPRESSURE: 4047800 297.468 -93.6295 -4.70847 -68.5518 -41.2109 31.6255 180.222 -2.29942 -84.446 PRESSAVG: 4047800 -74.0671 -41.3716 16.4749 -41.3716 77.8112 -5.18989 16.4749 -5.18979 -38.7025 GPRESSAVG: 4047800 -74.0059 -42.0415 15.8389 -44.3085 79.2977 -4.2492 14.8044 -6.85233 -39.2526 TIMING: 4047800 CPU: 12172.4, 0.00294473/step Wall: 12172.4, 0.00294473/step, 0.778882 hours remaining, 208.183594 MB of memory in use. ENERGY: 4047800 727.9545 2073.9956 1924.1110 123.7370 -206632.6307 17970.7892 0.0000 0.0000 34532.0038 -149280.0397 301.5766 -183812.0435 -149185.2257 299.1123 23.7990 57.2704 557017.9524 -11.6528 -11.3203 PRESSURE: 4048000 -45.3658 104.924 -79.0308 104.924 -107.805 34.7664 -79.0313 34.7658 -243.594 GPRESSURE: 4048000 -25.2807 151.834 1.19047 27.8337 -105.297 49.3675 -127.914 46.073 -172.566 PRESSAVG: 4048000 -60.0032 12.6481 22.21 12.6481 118.275 -13.0174 22.21 -13.0175 -46.3841 GPRESSAVG: 4048000 -59.6749 12.3313 21.9449 13.516 118.445 -13.0897 22.2737 -13.2946 -46.8659 TIMING: 4048000 CPU: 12173, 0.00296808/step Wall: 12173, 0.00296808/step, 0.784893 hours remaining, 208.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4048000 730.7881 2101.4160 1954.4622 108.2028 -205979.9700 17579.6368 0.0000 0.0000 34316.7040 -149188.7602 299.6963 -183505.4641 -149088.4447 299.9348 -132.2552 -101.0481 558777.2210 3.9625 3.9680 PRESSURE: 4048200 -121.339 173.831 -65.1094 173.832 -170.442 79.8586 -65.1082 79.858 -37.6304 GPRESSURE: 4048200 -106.568 161.09 30.7423 260.153 -157.743 58.1058 -163.408 87.0556 22.1967 PRESSAVG: 4048200 -72.5631 -13.136 -22.4519 -13.136 -0.583952 -22.0752 -22.4519 -22.0752 45.5932 GPRESSAVG: 4048200 -72.6398 -11.694 -21.1307 -13.3731 -1.42511 -22.4081 -21.637 -21.8272 45.7971 TIMING: 4048200 CPU: 12173.6, 0.00296927/step Wall: 12173.6, 0.00296927/step, 0.785043 hours remaining, 208.183594 MB of memory in use. ENERGY: 4048200 761.9515 2080.6059 1947.0632 99.8014 -206464.4838 17894.0606 0.0000 0.0000 34472.3792 -149208.6220 301.0559 -183681.0012 -149110.9128 299.1666 -109.8040 -80.7049 560123.7081 -9.1846 -9.4226 LDB: ============= START OF LOAD BALANCING ============== 12177.1 LDB: ============== END OF LOAD BALANCING =============== 12177.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12177.1 LDB: ============= START OF LOAD BALANCING ============== 12177.4 LDB: Largest compute 4802 load 0.028003 is 23.7% of average load 0.118267 LDB: Average compute 0.001728 is 1.5% of average load 0.118267 LDB: TIME 12177.4 LOAD: AVG 0.118267 MAX 0.208222 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.977 MB LDB: TIME 12177.4 LOAD: AVG 0.118267 MAX 0.208222 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.18 MB LDB: TIME 12177.4 LOAD: AVG 0.118267 MAX 0.208222 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.18 MB LDB: ============== END OF LOAD BALANCING =============== 12177.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12177.4 PRESSURE: 4048400 55.4294 57.0124 -31.2577 57.013 71.4426 -63.8704 -31.258 -63.8702 -146.226 GPRESSURE: 4048400 60.8041 17.656 -133.174 -4.70338 100.192 -115.703 84.0763 -49.322 -87.2927 PRESSAVG: 4048400 -41.0367 67.6921 -33.464 67.6922 43.5193 23.7993 -33.4641 23.7993 0.227964 GPRESSAVG: 4048400 -41.3601 67.6773 -35.4402 68.618 44.3226 24.1639 -32.9007 23.6723 0.29692 TIMING: 4048400 CPU: 12174.2, 0.00301921/step Wall: 12174.2, 0.00301921/step, 0.798078 hours remaining, 207.921875 MB of memory in use. ENERGY: 4048400 744.1857 2116.6406 1939.2559 101.8021 -206394.0796 17874.4802 0.0000 0.0000 34346.3918 -149271.3233 299.9556 -183617.7151 -149172.4343 298.7529 -6.4515 24.5677 557291.6000 0.9035 1.0865 PRESSURE: 4048600 -204.991 -46.4523 142.419 -46.453 -190.372 24.403 142.42 24.4031 -36.2294 GPRESSURE: 4048600 -218.887 -36.0277 85.1892 -72.4008 -83.9808 -70.3044 172.831 69.1494 -45.9152 PRESSAVG: 4048600 -2.90258 16.0707 3.73711 16.0707 50.9182 2.23585 3.73717 2.23585 8.83331 GPRESSAVG: 4048600 -3.07339 15.9809 6.84955 14.6062 50.066 2.47161 2.50017 2.42804 9.81187 TIMING: 4048600 CPU: 12174.8, 0.00297241/step Wall: 12174.8, 0.00297241/step, 0.785542 hours remaining, 207.992188 MB of memory in use. ENERGY: 4048600 762.3009 2084.4084 1963.1452 118.0118 -206237.4224 17608.5935 0.0000 0.0000 34322.8416 -149378.1209 299.7499 -183700.9625 -149288.9438 298.8163 -143.8640 -116.2611 556549.9157 18.9497 18.9348 PRESSURE: 4048800 -163.553 126.562 60.1777 126.561 -182.184 -83.3934 60.1778 -83.3949 -139.355 GPRESSURE: 4048800 -115.117 184.859 4.46147 52.4491 -98.8448 -81.6951 76.3762 -29.4082 -176.927 PRESSAVG: 4048800 -14.7504 24.0648 36.026 24.0648 56.7902 -39.6321 36.0261 -39.6323 -2.34198 GPRESSAVG: 4048800 -15.5102 22.983 33.0717 25.6951 56.7461 -41.7468 35.6006 -38.2269 -1.34654 TIMING: 4048800 CPU: 12175.4, 0.00294391/step Wall: 12175.4, 0.00294391/step, 0.777846 hours remaining, 207.992188 MB of memory in use. ENERGY: 4048800 755.0345 2110.1834 1944.7755 116.3550 -205930.5475 17535.6998 0.0000 0.0000 33988.2167 -149480.2826 296.8276 -183468.4993 -149377.0180 298.8957 -161.6976 -130.2962 558458.1497 13.2326 13.2964 PRESSURE: 4049000 63.2497 73.0553 1.76186 73.0554 114.175 -71.6259 1.76142 -71.6256 -296.173 GPRESSURE: 4049000 88.6258 53.5753 83.6885 94.6694 92.45 -151.185 -9.93017 10.0353 -207.201 PRESSAVG: 4049000 -6.88791 32.0642 37.4996 32.0643 1.54579 20.3282 37.4996 20.3282 6.76326 GPRESSAVG: 4049000 -6.56632 29.8609 40.0392 33.9932 2.57791 21.4351 38.528 16.8389 4.66679 TIMING: 4049000 CPU: 12176, 0.00297975/step Wall: 12176, 0.00297975/step, 0.78715 hours remaining, 207.992188 MB of memory in use. ENERGY: 4049000 777.5285 2001.4720 1972.5179 120.4771 -206560.4261 17876.2188 0.0000 0.0000 34280.0218 -149532.1899 299.3760 -183812.2118 -149435.7426 298.3734 -39.5830 -8.7083 557147.8092 0.4737 0.2261 PRESSURE: 4049200 -21.692 124.192 -96.4563 124.193 -215.197 179.849 -96.4556 179.849 57.781 GPRESSURE: 4049200 28.3401 116.539 -181.193 166.477 -205.519 138.858 -21.7838 200.781 98.2658 PRESSAVG: 4049200 -38.5709 -8.95154 -22.6485 -8.95159 30.7845 -4.26962 -22.6485 -4.26961 -6.08674 GPRESSAVG: 4049200 -38.3429 -7.40232 -25.9952 -12.1674 30.0739 -3.43728 -22.7133 -3.14206 -5.62211 TIMING: 4049200 CPU: 12176.6, 0.00297118/step Wall: 12176.6, 0.00297118/step, 0.784721 hours remaining, 207.992188 MB of memory in use. ENERGY: 4049200 731.1404 2136.1767 1976.4786 114.4929 -206276.9482 17739.9243 0.0000 0.0000 34153.8941 -149424.8413 298.2745 -183578.7354 -149332.6293 298.9513 -59.7027 -26.3044 558258.6573 -4.6244 -4.6304 PRESSURE: 4049400 -215.542 -37.4596 31.1214 -37.4596 -341.764 -35.8489 31.1226 -35.8509 185.118 GPRESSURE: 4049400 -142.25 -20.5798 26.284 -94.6358 -284.388 -33.9737 -23.9094 1.54792 153.842 PRESSAVG: 4049400 15.4891 -43.008 14.2975 -43.008 -17.3166 11.2046 14.2974 11.2045 -0.00663443 GPRESSAVG: 4049400 16.8852 -43.9981 15.6361 -42.8883 -18.2914 10.5589 13.9985 10.89 0.230758 TIMING: 4049400 CPU: 12177.2, 0.00295073/step Wall: 12177.2, 0.00295073/step, 0.779156 hours remaining, 207.992188 MB of memory in use. ENERGY: 4049400 765.6535 2061.8636 1930.7853 122.2103 -206091.5049 17658.9013 0.0000 0.0000 34129.0498 -149423.0411 298.0575 -183552.0909 -149330.0928 298.6589 -124.0625 -90.9323 559485.0207 -0.6114 -0.3918 PRESSURE: 4049600 121.365 167.561 11.3494 167.562 96.3598 -21.7282 11.3493 -21.7275 -360.005 GPRESSURE: 4049600 147.587 84.7544 8.28756 183.457 68.4918 -44.7872 55.4374 18.1011 -269.955 PRESSAVG: 4049600 8.82109 47.5689 65.1186 47.569 55.3307 -20.6944 65.1186 -20.6945 -42.3005 GPRESSAVG: 4049600 8.00267 47.1028 66.6949 49.4761 56.3732 -19.6518 64.4386 -21.6014 -42.1709 TIMING: 4049600 CPU: 12177.8, 0.00296004/step Wall: 12177.8, 0.00296004/step, 0.781449 hours remaining, 207.992188 MB of memory in use. ENERGY: 4049600 749.1612 2054.9175 1940.8646 116.6382 -206610.4861 17947.7266 0.0000 0.0000 34277.4561 -149523.7218 299.3535 -183801.1780 -149424.9290 298.3807 -47.4266 -17.9587 557803.6177 7.2838 7.4016 PRESSURE: 4049800 201.875 80.0151 18.5826 80.0143 -193.288 -68.8387 18.5819 -68.8375 -174.557 GPRESSURE: 4049800 251.044 121.624 17.876 -12.3393 -185.445 -21.8266 -127.736 -83.4319 -131.514 PRESSAVG: 4049800 29.5718 58.3283 4.56449 58.3282 -16.1176 47.2339 4.56455 47.2338 -25.129 GPRESSAVG: 4049800 30.2512 60.7424 5.50194 55.3216 -17.3535 47.9605 2.26166 46.0492 -24.7656 TIMING: 4049800 CPU: 12178.4, 0.00294579/step Wall: 12178.4, 0.00294579/step, 0.777524 hours remaining, 207.992188 MB of memory in use. ENERGY: 4049800 709.2676 2024.4898 1930.0187 105.0466 -206080.4174 17567.4495 0.0000 0.0000 34228.3504 -149515.7949 298.9247 -183744.1452 -149415.7966 297.9818 -55.3235 -21.9718 558140.3759 -3.8916 -3.9560 PRESSURE: 4050000 -71.8615 103.54 115.989 103.539 76.1844 167.332 115.99 167.333 147.211 GPRESSURE: 4050000 21.5507 27.6941 6.79702 157.616 91.7654 110.465 191.733 236.915 145.358 PRESSAVG: 4050000 -18.2402 -4.42016 34.4949 -4.42021 28.0533 -22.9926 34.4949 -22.9925 -20.6425 GPRESSAVG: 4050000 -18.7206 -6.04975 31.618 -2.82567 28.9905 -24.6785 36.4514 -22.3065 -21.1602 TIMING: 4050000 CPU: 12178.9, 0.00296566/step Wall: 12178.9, 0.00296566/step, 0.782606 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: 4050000 706.5577 2057.5733 1940.9430 105.3789 -206321.2490 17811.6468 0.0000 0.0000 34250.2066 -149448.9427 299.1156 -183699.1493 -149358.2971 298.3318 50.5114 86.2248 557740.6186 -3.6098 -3.6301 PRESSURE: 4050200 -48.7841 -108.152 18.4229 -108.15 -233.969 -60.3163 18.4228 -60.3149 -234.027 GPRESSURE: 4050200 -39.7069 -156.783 48.1429 -44.8649 -196.658 35.4938 58.968 -66.9201 -175.869 PRESSAVG: 4050200 64.0141 -2.22552 -44.6535 -2.22549 2.34913 19.8385 -44.6535 19.8386 -14.2439 GPRESSAVG: 4050200 64.3985 -2.19469 -42.1094 -1.89295 2.33551 20.816 -45.9542 22.037 -14.1804 TIMING: 4050200 CPU: 12179.5, 0.00298025/step Wall: 12179.5, 0.00298025/step, 0.786289 hours remaining, 207.992188 MB of memory in use. ENERGY: 4050200 741.2984 2049.5189 1962.8191 108.9840 -206211.9087 17686.0646 0.0000 0.0000 34321.8403 -149341.3834 299.7412 -183663.2237 -149242.1234 298.8592 -172.2601 -137.4114 559418.3766 17.3731 17.5179 PRESSURE: 4050400 -327.184 75.4822 -23.7963 75.483 -89.6173 0.143014 -23.7954 0.143766 -188.726 GPRESSURE: 4050400 -280.018 72.0023 -0.207943 -3.96897 -77.6472 39.3901 -7.54198 -77.4552 -147.478 PRESSAVG: 4050400 -19.8146 24.9722 -32.9503 24.9722 -25.832 -15.2193 -32.9504 -15.2193 23.6247 GPRESSAVG: 4050400 -19.1808 23.8439 -33.7097 21.8523 -24.4073 -16.4986 -30.9167 -15.3334 22.4286 TIMING: 4050400 CPU: 12180.1, 0.00298353/step Wall: 12180.1, 0.00298353/step, 0.786989 hours remaining, 207.992188 MB of memory in use. ENERGY: 4050400 753.0321 2107.1589 1958.1284 125.9559 -206142.9344 17634.7281 0.0000 0.0000 34355.6585 -149208.2726 300.0365 -183563.9310 -149110.8525 298.6229 -201.8425 -168.3811 558579.6288 -7.3406 -7.0531 PRESSURE: 4050600 163.361 -235.165 46.5017 -235.166 23.2668 -73.4577 46.5035 -73.4559 -32.7539 GPRESSURE: 4050600 206.096 -234.532 32.7693 -172.352 54.246 -103.374 36.1005 -106.347 -10.375 PRESSAVG: 4050600 20.854 -43.4982 -50.8973 -43.4981 28.6599 -38.5364 -50.8973 -38.5363 -16.3171 GPRESSAVG: 4050600 20.545 -43.4178 -52.1437 -39.14 27.3555 -37.6297 -50.0654 -39.1561 -14.548 TIMING: 4050600 CPU: 12180.7, 0.00295016/step Wall: 12180.7, 0.00295016/step, 0.778024 hours remaining, 207.992188 MB of memory in use. ENERGY: 4050600 712.7151 2101.1285 1959.9760 104.9843 -206225.5182 17867.9840 0.0000 0.0000 34158.3890 -149320.3413 298.3137 -183478.7303 -149226.7324 299.1474 51.2914 83.3225 557617.4174 11.0656 11.1175 PRESSURE: 4050800 -11.8151 44.3273 -12.773 44.3274 -59.542 21.8943 -12.7738 21.8945 281.985 GPRESSURE: 4050800 23.3385 65.172 -167.572 -51.0405 -60.0695 -1.07867 37.3619 6.36145 344.726 PRESSAVG: 4050800 29.2838 -35.9103 21.8822 -35.9103 -20.9886 -25.0381 21.8822 -25.0381 37.8167 GPRESSAVG: 4050800 29.2133 -36.4442 22.3059 -37.5926 -21.0062 -25.2989 20.9575 -23.8911 38.2591 TIMING: 4050800 CPU: 12181.3, 0.0029464/step Wall: 12181.3, 0.0029464/step, 0.776868 hours remaining, 207.992188 MB of memory in use. ENERGY: 4050800 764.7376 2060.7851 1916.1270 119.3947 -206617.4961 17998.1175 0.0000 0.0000 34145.5849 -149612.7491 298.2019 -183758.3341 -149513.1372 298.6484 70.2094 102.6648 556323.4083 15.3706 15.4887 PRESSURE: 4051000 -114.781 -51.7855 -51.9833 -51.7872 139.314 25.6688 -51.9841 25.669 -278.538 GPRESSURE: 4051000 -78.9046 75.2204 -84.4943 -64.0408 142.385 59.3452 -74.0134 80.3636 -231.492 PRESSAVG: 4051000 13.3965 -20.3395 -36.9545 -20.3395 -20.8492 -2.83555 -36.9545 -2.83556 22.9051 GPRESSAVG: 4051000 13.9001 -19.3027 -35.13 -20.7441 -20.6114 -3.89402 -36.6864 -3.88443 22.8391 TIMING: 4051000 CPU: 12181.9, 0.00295203/step Wall: 12181.9, 0.00295203/step, 0.778187 hours remaining, 207.992188 MB of memory in use. ENERGY: 4051000 722.7196 2138.8487 1955.5573 116.2179 -206193.3860 17565.5615 0.0000 0.0000 34244.9481 -149449.5330 299.0696 -183694.4810 -149347.9182 298.4373 -84.6684 -56.0038 557054.0750 5.1508 5.3760 PRESSURE: 4051200 -35.8885 70.5456 75.447 70.5463 -89.0876 -131.195 75.4468 -131.195 -115.146 GPRESSURE: 4051200 -26.3769 10.2288 35.4405 115.648 -25.2972 -110.836 77.368 -236.45 -85.5284 PRESSAVG: 4051200 -0.784307 42.3799 43.0152 42.3798 -40.2729 -13.6235 43.0152 -13.6236 -7.58129 GPRESSAVG: 4051200 -2.42812 42.0835 41.9233 43.8284 -38.8681 -10.2236 43.2773 -14.626 -7.19884 TIMING: 4051200 CPU: 12182.5, 0.00298562/step Wall: 12182.5, 0.00298562/step, 0.786876 hours remaining, 207.992188 MB of memory in use. ENERGY: 4051200 705.0382 2102.8547 1928.3930 121.4926 -206194.9685 17571.3784 0.0000 0.0000 34357.1116 -149408.6999 300.0492 -183765.8116 -149313.4027 298.6031 -80.0407 -45.7342 556811.0232 -16.2128 -16.1650 PRESSURE: 4051400 88.1674 82.4676 136.031 82.4668 -32.0541 46.0307 136.029 46.031 -233.192 GPRESSURE: 4051400 106.591 113.025 79.4791 71.2519 5.06006 15.5426 89.6534 110.2 -193.279 PRESSAVG: 4051400 15.89 36.8711 54.3128 36.8712 51.1193 -41.2464 54.3128 -41.2465 -17.1828 GPRESSAVG: 4051400 16.3895 35.4234 54.8948 36.7649 51.0055 -42.8673 52.7191 -40.5561 -17.2308 TIMING: 4051400 CPU: 12183.1, 0.00297851/step Wall: 12183.1, 0.00297851/step, 0.784837 hours remaining, 207.992188 MB of memory in use. ENERGY: 4051400 745.8554 2061.9299 1957.6457 108.6318 -206277.2973 17838.7637 0.0000 0.0000 34036.2108 -149528.2600 297.2467 -183564.4708 -149429.3198 298.8235 -59.0261 -27.2092 555757.7239 16.6088 16.7214 PRESSURE: 4051600 35.0079 -136.07 -47.9887 -136.07 -210.14 -6.67794 -47.9884 -6.67914 -89.1196 GPRESSURE: 4051600 86.1374 -199.371 -38.5583 -139.532 -204.684 -11.1352 -44.7393 -2.91176 -46.2962 PRESSAVG: 4051600 50.0752 -38.3438 33.4879 -38.3439 8.91363 33.3227 33.4879 33.3227 -6.3058 GPRESSAVG: 4051600 50.2279 -36.2966 32.8636 -39.3472 8.83829 33.8119 36.7115 33.9002 -6.28036 TIMING: 4051600 CPU: 12183.7, 0.00300093/step Wall: 12183.7, 0.00300093/step, 0.790579 hours remaining, 207.992188 MB of memory in use. ENERGY: 4051600 718.4523 2139.4062 1942.8498 113.5912 -206138.1982 17718.9689 0.0000 0.0000 34218.2916 -149286.6382 298.8369 -183504.9298 -149194.6806 299.1482 -88.0839 -54.9477 556893.2902 17.5610 17.5953 PRESSURE: 4051800 -92.0344 -180.054 -70.2127 -180.053 -128.979 191.796 -70.2115 191.796 -247.332 GPRESSURE: 4051800 -15.9018 -155.348 -48.8825 -275.815 -143.842 144.523 -97.0221 239.609 -213.369 PRESSAVG: 4051800 -13.2496 -70.2427 -40.3637 -70.2425 -3.09467 28.2646 -40.3635 28.2645 33.581 GPRESSAVG: 4051800 -13.0823 -70.7314 -38.5015 -71.4522 -2.03324 26.4091 -41.6112 29.0334 32.2859 TIMING: 4051800 CPU: 12184.3, 0.00298772/step Wall: 12184.3, 0.00298772/step, 0.786933 hours remaining, 207.992188 MB of memory in use. ENERGY: 4051800 716.6688 2106.4120 1936.4383 115.9438 -205779.8276 17548.2484 0.0000 0.0000 34187.1403 -149168.9760 298.5648 -183356.1164 -149065.0563 299.6787 -156.1150 -124.3708 559239.6055 5.7456 5.7235 PRESSURE: 4052000 183.953 -47.0695 -50.0075 -47.0677 -194.325 141.43 -50.0079 141.43 111.209 GPRESSURE: 4052000 221.321 -32.4329 -156.054 29.7721 -183.464 52.779 -0.772586 178.635 143.497 PRESSAVG: 4052000 46.9889 -18.047 -46.9528 -18.0471 -37.8606 75.571 -46.9528 75.5708 19.6757 GPRESSAVG: 4052000 46.4299 -18.7033 -48.4426 -18.218 -39.0261 77.1531 -48.2847 75.0997 21.2138 TIMING: 4052000 CPU: 12184.9, 0.00299099/step Wall: 12184.9, 0.00299099/step, 0.787628 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: 4052000 739.3849 2136.2208 1933.4801 100.5965 -206535.7462 17927.8819 0.0000 0.0000 34404.9020 -149293.2799 300.4666 -183698.1819 -149197.9472 299.1070 33.6127 60.4513 557203.5862 9.6013 9.5392 PRESSURE: 4052200 231.163 -138.286 153.514 -138.287 16.478 100.388 153.513 100.39 50.5681 GPRESSURE: 4052200 301.427 -134.475 152.261 -111.983 67.8079 82.38 115.23 85.0672 14.6026 PRESSAVG: 4052200 0.273348 42.8496 -5.14556 42.8496 10.7714 87.2304 -5.14553 87.2304 49.8287 GPRESSAVG: 4052200 1.08623 43.9881 -5.65476 42.4905 10.4359 86.9871 -3.80169 87.5131 49.6321 TIMING: 4052200 CPU: 12185.5, 0.00297965/step Wall: 12185.5, 0.00297965/step, 0.784476 hours remaining, 208.195312 MB of memory in use. ENERGY: 4052200 703.4182 2061.9546 1955.6397 129.4972 -206246.9823 17911.0433 0.0000 0.0000 34162.4662 -149322.9632 298.3493 -183485.4294 -149229.3306 299.2758 99.4030 127.9460 556762.4526 20.2912 20.3847 LDB: ============= START OF LOAD BALANCING ============== 12189 LDB: ============== END OF LOAD BALANCING =============== 12189 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12189 LDB: ============= START OF LOAD BALANCING ============== 12189.3 LDB: Largest compute 4773 load 0.029004 is 24.5% of average load 0.118276 LDB: Average compute 0.001718 is 1.5% of average load 0.118276 LDB: TIME 12189.3 LOAD: AVG 0.118276 MAX 0.207187 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.793 MB LDB: TIME 12189.3 LOAD: AVG 0.118276 MAX 0.207187 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.035 MB LDB: TIME 12189.3 LOAD: AVG 0.118276 MAX 0.207187 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.035 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12189.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12189.3 PRESSURE: 4052400 175.04 112.821 -77.0161 112.821 -135.661 120.605 -77.0159 120.605 2.39824 GPRESSURE: 4052400 248.991 151.746 -111.093 34.8224 -132.059 96.599 2.92957 84.7238 22.609 PRESSAVG: 4052400 127.842 30.6022 51.2363 30.6022 -117.709 63.3508 51.2364 63.3508 28.702 GPRESSAVG: 4052400 127.32 31.0547 54.4351 31.6278 -115.791 65.5701 47.7295 63.701 27.5051 TIMING: 4052400 CPU: 12186.1, 0.00303783/step Wall: 12186.1, 0.00303783/step, 0.799624 hours remaining, 209.406250 MB of memory in use. ENERGY: 4052400 730.3650 2149.1701 1948.2779 103.5856 -206451.7244 17780.8854 0.0000 0.0000 34384.7310 -149354.7095 300.2904 -183739.4405 -149258.1765 298.3477 13.9256 46.5135 555474.7118 12.9452 13.0114 PRESSURE: 4052600 -50.5679 -65.3374 10.3537 -65.3385 -173.62 175.785 10.3521 175.785 240.187 GPRESSURE: 4052600 -73.3872 -9.12551 1.70427 -130.831 -102.646 110.724 81.4758 196.666 299.194 PRESSAVG: 4052600 -50.136 11.2552 -15.1153 11.2551 4.17407 49.3939 -15.1153 49.3939 51.0126 GPRESSAVG: 4052600 -49.4594 10.09 -18.2437 11.8326 3.37151 45.4299 -12.6759 49.4 51.0729 TIMING: 4052600 CPU: 12186.7, 0.00297094/step Wall: 12186.7, 0.00297094/step, 0.781853 hours remaining, 209.550781 MB of memory in use. ENERGY: 4052600 733.6819 2075.8437 1964.6333 120.9081 -206321.0712 17778.1349 0.0000 0.0000 34298.5185 -149349.3509 299.5375 -183647.8694 -149255.7190 298.5219 5.3329 41.0536 557075.6452 1.6836 1.6617 PRESSURE: 4052800 379.172 -21.8863 56.7766 -21.8854 -197.318 -169.722 56.7756 -169.722 -106.428 GPRESSURE: 4052800 390.638 -33.9259 8.99708 64.8023 -145.916 -282.938 26.6021 -170.248 -56.807 PRESSAVG: 4052800 29.0703 -35.5507 -16.8995 -35.5509 -10.3919 -6.31524 -16.8995 -6.31535 -32.0067 GPRESSAVG: 4052800 27.7815 -36.1651 -14.9868 -35.708 -10.9061 -4.78952 -17.1996 -8.04658 -30.9871 TIMING: 4052800 CPU: 12187.3, 0.00302943/step Wall: 12187.3, 0.00302943/step, 0.797078 hours remaining, 209.550781 MB of memory in use. ENERGY: 4052800 767.3966 2117.5139 1953.4004 111.1553 -206865.6432 18025.5544 0.0000 0.0000 34428.6767 -149461.9459 300.6742 -183890.6226 -149362.3702 298.8075 25.1422 62.6383 557652.6069 -4.4428 -4.7039 PRESSURE: 4053000 44.9437 -7.67699 -79.6145 -7.67656 -247.59 69.1206 -79.6148 69.1189 -211.224 GPRESSURE: 4053000 26.4175 51.4236 -95.109 -113.037 -238.044 31.8535 -133.05 6.91738 -107.379 PRESSAVG: 4053000 22.5208 -15.5505 -16.9622 -15.5504 20.8391 -38.3148 -16.9621 -38.3147 -33.3141 GPRESSAVG: 4053000 22.2613 -13.0193 -17.0719 -16.8253 21.3571 -38.8909 -18.5086 -38.2362 -33.8409 TIMING: 4053000 CPU: 12187.9, 0.00302578/step Wall: 12187.9, 0.00302578/step, 0.795948 hours remaining, 209.550781 MB of memory in use. ENERGY: 4053000 753.0766 2113.3299 1945.5131 119.9051 -206068.6293 17678.9186 0.0000 0.0000 34294.8577 -149163.0283 299.5055 -183457.8860 -149074.5038 298.9160 -137.9568 -106.3350 557980.2387 3.3486 3.2591 PRESSURE: 4053200 108.184 33.0508 138.452 33.0502 142.203 25.2422 138.454 25.2411 69.118 GPRESSURE: 4053200 205.178 1.8936 199.875 101.402 159.246 -2.17925 152.855 42.0268 53.0789 PRESSAVG: 4053200 28.741 -6.67905 6.4407 -6.6791 23.3926 -24.1224 6.44072 -24.1224 -41.2078 GPRESSAVG: 4053200 27.9441 -7.27379 5.23296 -5.80944 22.2436 -21.2191 7.28685 -23.4871 -39.5434 TIMING: 4053200 CPU: 12188.5, 0.00299488/step Wall: 12188.5, 0.00299488/step, 0.787654 hours remaining, 209.550781 MB of memory in use. ENERGY: 4053200 778.5238 2132.1709 1948.9799 112.1079 -206464.5035 18028.6410 0.0000 0.0000 34414.0938 -149049.9862 300.5468 -183464.0800 -148958.2128 299.5609 106.5017 139.1677 558519.8252 3.6419 3.5481 PRESSURE: 4053400 -62.5981 -110.788 -175.572 -110.787 237.794 3.97449 -175.572 3.97496 -69.0603 GPRESSURE: 4053400 -28.1769 -155.646 -62.8546 -53.9472 259.62 49.6255 -164.567 -92.3025 -22.0806 PRESSAVG: 4053400 38.3995 7.10801 79.7168 7.10808 -59.0465 -9.6906 79.7169 -9.69071 -1.48143 GPRESSAVG: 4053400 38.7432 8.87517 81.4417 7.11832 -57.9439 -10.1276 81.1014 -10.2419 -3.08659 TIMING: 4053400 CPU: 12189.1, 0.00295328/step Wall: 12189.1, 0.00295328/step, 0.776548 hours remaining, 209.550781 MB of memory in use. ENERGY: 4053400 733.6022 2119.7381 1941.4907 120.6392 -206147.2887 17836.5375 0.0000 0.0000 34401.9789 -148993.3021 300.4410 -183395.2810 -148900.8142 298.8483 35.3784 69.7874 558166.1768 -7.3762 -7.4291 PRESSURE: 4053600 62.5914 85.1827 -15.7568 85.1845 231.552 -23.8445 -15.757 -23.8447 160.924 GPRESSURE: 4053600 118.269 -10.0259 10.5888 83.7441 242.439 -38.0414 -154.438 -19.1927 198.307 PRESSAVG: 4053600 -41.5711 -17.4926 -42.9063 -17.4927 14.6393 -21.9858 -42.9064 -21.9858 -22.6207 GPRESSAVG: 4053600 -41.7502 -21.172 -44.8784 -18.1398 14.1109 -23.5188 -43.3822 -20.7259 -22.0038 TIMING: 4053600 CPU: 12189.7, 0.00298227/step Wall: 12189.7, 0.00298227/step, 0.784007 hours remaining, 209.550781 MB of memory in use. ENERGY: 4053600 728.2184 2104.6018 1936.6064 124.1818 -206152.9822 17969.7389 0.0000 0.0000 34316.2961 -148973.3388 299.6927 -183289.6349 -148872.4295 299.6593 151.6892 186.3386 557387.9578 -16.5175 -16.5477 PRESSURE: 4053800 -96.4163 -131.916 24.5976 -131.915 -179.882 -115.322 24.5974 -115.323 -146.804 GPRESSURE: 4053800 -92.2025 -139.748 18.9992 -137.799 -55.7631 -104.008 58.9692 5.15623 -172.04 PRESSAVG: 4053800 11.5295 -24.8149 -39.9485 -24.8148 10.882 -84.3861 -39.9485 -84.386 -40.2944 GPRESSAVG: 4053800 10.9385 -21.9308 -39.1833 -23.316 10.6206 -82.3435 -40.1278 -86.2723 -39.8696 TIMING: 4053800 CPU: 12190.3, 0.00298413/step Wall: 12190.3, 0.00298413/step, 0.784328 hours remaining, 209.550781 MB of memory in use. ENERGY: 4053800 742.0914 2064.7405 1940.6745 128.2557 -205942.9786 17541.6126 0.0000 0.0000 34466.1412 -149059.4627 301.0014 -183525.6039 -148961.5325 299.6885 -141.0343 -106.6684 557286.5746 -5.9610 -6.1035 PRESSURE: 4054000 164.259 15.5843 122.752 15.5836 93.2883 35.4733 122.754 35.4731 2.74429 GPRESSURE: 4054000 222.207 41.9543 148.769 32.5109 141.537 21.6658 80.3902 -21.6171 -2.97085 PRESSAVG: 4054000 52.4098 -15.3799 -16.1784 -15.3799 -12.9372 -35.767 -16.1785 -35.7669 18.8506 GPRESSAVG: 4054000 53.5231 -14.8855 -16.6524 -15.8176 -13.5623 -37.2057 -13.7417 -33.3928 17.7705 TIMING: 4054000 CPU: 12190.9, 0.00298575/step Wall: 12190.9, 0.00298575/step, 0.784589 hours remaining, 209.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4054000 754.5330 2106.8786 1966.8834 117.5465 -206236.7816 17813.9377 0.0000 0.0000 34329.1702 -149147.8321 299.8052 -183477.0024 -149060.2078 299.9297 86.7638 120.2578 556176.4770 19.4411 19.2438 PRESSURE: 4054200 125.072 -209.549 141.55 -209.55 -120.488 23.1158 141.55 23.1163 18.3411 GPRESSURE: 4054200 98.8568 -127.087 41.502 -188.277 -37.931 57.3097 227.993 -25.72 60.8807 PRESSAVG: 4054200 55.7124 3.92312 27.4916 3.92309 -27.6124 11.3114 27.4916 11.3114 18.7355 GPRESSAVG: 4054200 54.089 2.20492 29.3027 4.08432 -27.5366 12.1408 24.9006 11.0756 19.7626 TIMING: 4054200 CPU: 12191.5, 0.00298886/step Wall: 12191.5, 0.00298886/step, 0.78524 hours remaining, 209.664062 MB of memory in use. ENERGY: 4054200 780.6922 2137.1452 1936.1681 107.2385 -206461.3729 17898.7938 0.0000 0.0000 34369.6878 -149231.6473 300.1590 -183601.3351 -149142.2572 299.8123 7.6418 40.6022 557469.0947 15.6118 15.4383 PRESSURE: 4054400 -55.4173 100.098 -28.0395 100.099 133.689 -1.3429 -28.0405 -1.34229 -151.665 GPRESSURE: 4054400 -13.9508 64.7609 19.8414 116.833 188.805 17.5279 8.74265 -117.448 -155.371 PRESSAVG: 4054400 26.3172 -6.10777 3.43037 -6.10787 -14.893 -11.5865 3.4303 -11.5864 -6.20675 GPRESSAVG: 4054400 27.4806 -5.62437 3.89964 -7.19623 -15.0747 -10.9466 2.52691 -13.5276 -7.17299 TIMING: 4054400 CPU: 12192.1, 0.0029659/step Wall: 12192.1, 0.0029659/step, 0.779044 hours remaining, 209.664062 MB of memory in use. ENERGY: 4054400 763.2725 2091.1277 1943.6944 108.2022 -206213.3367 17766.5423 0.0000 0.0000 34218.2760 -149322.2215 298.8367 -183540.4975 -149222.9372 299.8329 -24.4646 6.4942 558949.0217 1.7391 1.7443 PRESSURE: 4054600 -8.92439 79.7243 110.068 79.7241 43.5232 26.1016 110.069 26.1014 -374.92 GPRESSURE: 4054600 -13.3049 10.3847 117.898 69.758 58.9498 29.7517 7.80744 -132.01 -292.869 PRESSAVG: 4054600 -47.281 4.9482 -30.4971 4.94816 29.9904 -8.60856 -30.4972 -8.60848 -20.3843 GPRESSAVG: 4054600 -47.5256 4.32006 -33.1193 5.87527 29.9829 -9.44294 -29.9957 -7.37182 -19.809 TIMING: 4054600 CPU: 12192.7, 0.00298476/step Wall: 12192.7, 0.00298476/step, 0.783832 hours remaining, 209.664062 MB of memory in use. ENERGY: 4054600 753.9208 2096.2021 1954.1449 113.5400 -206295.5242 17842.6243 0.0000 0.0000 34292.0078 -149243.0842 299.4806 -183535.0921 -149145.8728 298.4751 -113.4403 -82.4082 557933.1613 -12.5583 -12.4506 PRESSURE: 4054800 -132.662 -97.331 -75.8078 -97.3323 -39.9941 -128.148 -75.8079 -128.148 209.971 GPRESSURE: 4054800 -99.449 31.5512 -78.0905 -160.297 18.3987 -116.345 -185.722 -126.037 219.351 PRESSAVG: 4054800 -40.1349 54.9178 -9.72189 54.9178 50.0109 8.74199 -9.72198 8.74201 -51.6202 GPRESSAVG: 4054800 -39.3521 54.822 -7.46501 55.0455 48.7554 8.83579 -10.4849 7.8689 -50.9947 TIMING: 4054800 CPU: 12193.3, 0.00298209/step Wall: 12193.3, 0.00298209/step, 0.782964 hours remaining, 209.664062 MB of memory in use. ENERGY: 4054800 717.0874 2101.0259 1938.6591 104.0586 -206224.1501 17807.2903 0.0000 0.0000 34343.6675 -149212.3615 299.9318 -183556.0289 -149110.2834 299.1358 12.4381 46.1001 557762.5326 -13.9147 -13.8638 PRESSURE: 4055000 37.878 -97.8548 2.10516 -97.855 373.219 -12.5291 2.10588 -12.5285 -256.981 GPRESSURE: 4055000 51.91 -79.8205 -6.65405 -69.311 387.233 -53.4317 98.8718 -8.85811 -188.235 PRESSAVG: 4055000 61.4941 32.336 59.2129 32.3361 29.1615 3.62804 59.2129 3.62805 -63.2212 GPRESSAVG: 4055000 60.9138 32.336 58.088 31.6709 30.2541 3.99232 61.7198 3.86391 -64.0266 TIMING: 4055000 CPU: 12193.9, 0.00297859/step Wall: 12193.9, 0.00297859/step, 0.78188 hours remaining, 209.664062 MB of memory in use. ENERGY: 4055000 724.6167 2051.7843 1951.8388 104.0029 -205951.6425 17717.1071 0.0000 0.0000 34150.2372 -149252.0556 298.2425 -183402.2928 -149145.5081 298.1384 51.3720 83.6361 557468.6446 9.1448 9.0471 PRESSURE: 4055200 74.1805 25.1594 -37.2954 25.1592 -207.899 -21.8467 -37.2957 -21.8462 -43.9102 GPRESSURE: 4055200 51.2507 -1.11963 -72.0965 20.9839 -207.537 -27.5012 -6.8122 -117.613 79.7392 PRESSAVG: 4055200 -10.3653 -23.0452 7.50945 -23.0453 -24.091 -41.2406 7.50946 -41.2406 75.6834 GPRESSAVG: 4055200 -10.1179 -23.7002 8.74275 -21.7798 -24.7708 -42.0229 6.57886 -40.2305 76.3923 TIMING: 4055200 CPU: 12194.5, 0.00297689/step Wall: 12194.5, 0.00297689/step, 0.781267 hours remaining, 209.664062 MB of memory in use. ENERGY: 4055200 766.1421 2088.2646 1946.4758 115.0926 -205941.4962 17834.9398 0.0000 0.0000 34185.1142 -149005.4671 298.5471 -183190.5813 -148911.3628 299.1256 -59.2095 -25.5159 558918.2340 13.7424 13.8345 PRESSURE: 4055400 53.4507 100.429 -72.8465 100.43 50.2392 -105.1 -72.8461 -105.101 111.181 GPRESSURE: 4055400 98.1308 168.254 -15.6978 18.7428 45.9368 -52.0558 -85.2459 -58.8967 151.907 PRESSAVG: 4055400 3.92608 -7.46093 38.0919 -7.46089 -20.0497 -4.11598 38.0918 -4.11597 -11.787 GPRESSAVG: 4055400 4.40574 -6.4457 38.2619 -9.38126 -19.8196 -4.60753 37.0033 -3.44035 -11.8021 TIMING: 4055400 CPU: 12195.1, 0.00297712/step Wall: 12195.1, 0.00297712/step, 0.781164 hours remaining, 209.664062 MB of memory in use. ENERGY: 4055400 746.4586 2089.1104 1938.5252 121.8838 -206398.9851 17937.4645 0.0000 0.0000 34426.6722 -149138.8703 300.6567 -183565.5425 -149040.6661 298.8325 71.6237 98.6583 556573.4456 -9.3035 -9.0720 PRESSURE: 4055600 -45.6222 -15.142 -113.365 -15.1427 -225.958 -50.552 -113.367 -50.5501 118.868 GPRESSURE: 4055600 -48.2879 61.6191 -118.022 47.4687 -160.398 -23.5226 -150.996 -63.7954 158.132 PRESSAVG: 4055600 29.877 47.0719 -2.07401 47.0719 26.8542 -4.30619 -2.07396 -4.30603 -7.89407 GPRESSAVG: 4055600 29.0985 47.4174 -0.719154 48.9163 27.8312 -3.63921 -3.21646 -3.47188 -8.1303 TIMING: 4055600 CPU: 12195.7, 0.00297221/step Wall: 12195.7, 0.00297221/step, 0.77971 hours remaining, 209.664062 MB of memory in use. ENERGY: 4055600 756.2683 2137.4155 1954.3905 118.4405 -206189.6253 17710.3863 0.0000 0.0000 34382.5618 -149130.1623 300.2715 -183512.7242 -149026.2493 299.3838 -50.9040 -16.8515 557289.2682 16.2790 16.2665 PRESSURE: 4055800 -25.4592 -27.5287 -116.262 -27.5283 -20.7636 42.8414 -116.262 42.8437 40.9643 GPRESSURE: 4055800 -6.35809 28.3934 -109.507 -10.4295 4.01411 -13.2572 -127.433 9.37618 95.019 PRESSAVG: 4055800 -46.3239 -3.29297 -62.929 -3.29292 59.8167 -73.6024 -62.9288 -73.6022 -19.5504 GPRESSAVG: 4055800 -45.5847 -3.83291 -63.6303 -4.08812 59.7183 -75.0302 -60.6728 -73.3901 -20.6868 TIMING: 4055800 CPU: 12196.2, 0.0029793/step Wall: 12196.2, 0.0029793/step, 0.781403 hours remaining, 209.664062 MB of memory in use. ENERGY: 4055800 745.5527 2128.1940 1954.2837 112.0957 -206069.8663 17664.5064 0.0000 0.0000 34207.7053 -149257.5284 298.7444 -183465.2337 -149161.7238 299.7995 -1.7528 30.8917 557946.3432 -2.0192 -2.1844 PRESSURE: 4056000 39.7588 -98.3104 43.1819 -98.3092 -155.657 93.5606 43.1826 93.5599 -267.88 GPRESSURE: 4056000 119.166 -91.5901 45.3616 -112.499 -173.277 156.949 9.53904 50.7058 -238.502 PRESSAVG: 4056000 -6.23221 -20.473 9.81142 -20.4731 40.8396 -6.60675 9.81146 -6.60679 -48.3501 GPRESSAVG: 4056000 -6.99567 -18.8017 7.57086 -21.2018 40.7905 -5.75526 7.82034 -9.14054 -47.1203 TIMING: 4056000 CPU: 12196.8, 0.00295687/step Wall: 12196.8, 0.00295687/step, 0.775356 hours remaining, 209.664062 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: 4056000 780.1059 2106.0859 1951.0175 120.6355 -205918.0207 17551.4738 0.0000 0.0000 34332.0149 -149076.6872 299.8300 -183408.7021 -148980.6352 299.1107 -127.9260 -97.5376 558954.3142 -4.5809 -4.4418 PRESSURE: 4056200 144.393 -138.944 -16.742 -138.946 272.139 150.213 -16.7414 150.214 -131.854 GPRESSURE: 4056200 234.697 -161.968 5.3364 -82.8922 228.504 95.7986 13.6408 110.893 -87.2512 PRESSAVG: 4056200 57.4152 -15.3588 28.8351 -15.3589 -7.85844 -23.789 28.835 -23.7891 -44.1705 GPRESSAVG: 4056200 57.8131 -16.7334 29.9796 -14.5498 -7.56182 -22.8649 29.323 -23.2691 -44.882 TIMING: 4056200 CPU: 12197.4, 0.00296504/step Wall: 12197.4, 0.00296504/step, 0.777335 hours remaining, 209.664062 MB of memory in use. ENERGY: 4056200 730.7771 2089.6870 1967.4798 106.8202 -206195.2482 17882.9621 0.0000 0.0000 34078.1850 -149339.3369 297.6133 -183417.5219 -149246.6633 298.8560 94.8927 125.3166 557229.3421 1.7954 1.7898 LDB: ============= START OF LOAD BALANCING ============== 12200.9 LDB: ============== END OF LOAD BALANCING =============== 12200.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12200.9 LDB: ============= START OF LOAD BALANCING ============== 12201.2 LDB: Largest compute 4773 load 0.027595 is 23.3% of average load 0.118311 LDB: Average compute 0.001724 is 1.5% of average load 0.118311 LDB: TIME 12201.2 LOAD: AVG 0.118311 MAX 0.207189 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.027 MB LDB: TIME 12201.2 LOAD: AVG 0.118311 MAX 0.207189 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.031 MB LDB: TIME 12201.2 LOAD: AVG 0.118311 MAX 0.207189 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.031 MB LDB: ============== END OF LOAD BALANCING =============== 12201.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12201.2 PRESSURE: 4056400 -227.76 -16.1666 100.246 -16.1669 105.186 8.00805 100.246 8.01024 129.417 GPRESSURE: 4056400 -189.81 -73.0157 39.4227 -7.71969 128.52 48.2759 185.431 23.0526 156.637 PRESSAVG: 4056400 8.91814 23.3089 -22.5227 23.3089 78.2202 -17.1836 -22.5227 -17.1836 -32.3422 GPRESSAVG: 4056400 9.08973 23.186 -24.2279 22.75 77.7464 -16.3246 -21.3409 -18.2896 -31.677 TIMING: 4056400 CPU: 12198, 0.00299422/step Wall: 12198, 0.00299422/step, 0.784817 hours remaining, 209.902344 MB of memory in use. ENERGY: 4056400 711.2079 2115.5222 1947.5342 103.3869 -206236.7906 17752.6759 0.0000 0.0000 34229.8716 -149376.5920 298.9380 -183606.4636 -149274.9489 298.5916 2.2809 31.7824 557620.6723 18.2654 18.3864 PRESSURE: 4056600 176.289 -82.8643 9.65697 -82.8618 -178.218 -21.9823 9.65699 -21.9836 -60.9919 GPRESSURE: 4056600 132.54 -28.2446 58.846 -116.455 -126.923 -47.2779 -24.6332 86.4568 33.4344 PRESSAVG: 4056600 19.5968 -5.23029 40.2521 -5.23024 51.0253 8.63706 40.2521 8.63716 -34.1018 GPRESSAVG: 4056600 20.9035 -4.97008 40.2229 -4.77907 50.6253 6.63789 39.0942 11.6213 -34.5366 TIMING: 4056600 CPU: 12198.6, 0.00292628/step Wall: 12198.6, 0.00292628/step, 0.766847 hours remaining, 209.902344 MB of memory in use. ENERGY: 4056600 739.9763 2103.1810 1950.1858 104.8987 -206120.0292 17810.4982 0.0000 0.0000 34202.2329 -149209.0563 298.6966 -183411.2892 -149115.7831 299.3538 -20.9734 13.0170 557482.0946 12.1734 12.3308 PRESSURE: 4056800 46.0676 52.5902 -149.015 52.5904 89.8455 247.586 -149.015 247.586 70.1218 GPRESSURE: 4056800 63.1152 30.0452 -119.785 88.2571 109.158 307.521 -174.391 210.961 152.046 PRESSAVG: 4056800 18.6284 -21.325 -20.6243 -21.3252 -22.4533 -23.7443 -20.6243 -23.7442 61.071 GPRESSAVG: 4056800 17.6592 -20.5135 -20.4867 -20.1326 -22.9473 -24.8682 -21.7169 -24.773 62.4909 TIMING: 4056800 CPU: 12199.2, 0.00295144/step Wall: 12199.2, 0.00295144/step, 0.773277 hours remaining, 209.902344 MB of memory in use. ENERGY: 4056800 714.5734 2132.4639 1950.2435 103.7749 -206648.5178 17876.9506 0.0000 0.0000 34562.1300 -149308.3815 301.8397 -183870.5115 -149208.3484 299.7197 68.6783 108.1062 555802.2821 19.0820 19.0676 PRESSURE: 4057000 -170.095 -99.6673 -1.17611 -99.6673 -88.8264 178.92 -1.17736 178.922 -185.823 GPRESSURE: 4057000 -128.397 -117.039 -21.413 -89.8772 -71.3722 60.4591 65.1651 191.888 -153.965 PRESSAVG: 4057000 -21.424 37.2875 -1.54487 37.2875 27.0014 26.0485 -1.54494 26.0485 -20.7724 GPRESSAVG: 4057000 -21.8724 36.9337 -2.29273 38.1077 28.2623 28.8692 -0.362924 24.5008 -21.7726 TIMING: 4057000 CPU: 12199.8, 0.00296434/step Wall: 12199.8, 0.00296434/step, 0.776493 hours remaining, 209.902344 MB of memory in use. ENERGY: 4057000 762.1786 2102.9216 1950.0401 115.2499 -206226.2134 17785.3668 0.0000 0.0000 34173.6573 -149336.7991 298.4470 -183510.4564 -149239.5553 299.1365 -148.2481 -117.9112 557506.7941 -5.0650 -5.1276 PRESSURE: 4057200 -274.006 4.41839 -59.9217 4.4186 144.89 -9.8237 -59.9213 -9.82438 -252.083 GPRESSURE: 4057200 -247.074 33.2463 -18.4463 -57.8595 146.129 20.289 -9.40347 -17.0405 -171.454 PRESSAVG: 4057200 -17.257 30.9049 -0.49468 30.9049 27.6575 53.2621 -0.494754 53.2621 -2.00521 GPRESSAVG: 4057200 -18.1477 30.5817 0.0892063 29.0404 26.6806 53.1813 -0.683944 51.3602 -0.107119 TIMING: 4057200 CPU: 12200.4, 0.00299788/step Wall: 12200.4, 0.00299788/step, 0.785113 hours remaining, 209.902344 MB of memory in use. ENERGY: 4057200 742.1765 2121.3778 1944.8930 115.2471 -206271.0165 17814.7890 0.0000 0.0000 34188.0039 -149344.5292 298.5723 -183532.5331 -149246.4951 299.3164 -127.0664 -90.7993 557825.0047 2.7984 2.8086 PRESSURE: 4057400 -138.548 54.9136 100.531 54.9141 -38.4382 120.322 100.531 120.322 -173.08 GPRESSURE: 4057400 -66.2967 37.0437 159.594 99.4593 -27.2143 152.542 42.6741 83.5642 -166.334 PRESSAVG: 4057400 -31.3031 39.2846 35.7441 39.2846 54.7719 27.2176 35.7441 27.2176 -34.0316 GPRESSAVG: 4057400 -29.4322 41.3809 36.2039 39.647 55.3542 24.3595 33.8386 30.7924 -35.4776 TIMING: 4057400 CPU: 12201, 0.00298817/step Wall: 12201, 0.00298817/step, 0.782401 hours remaining, 209.902344 MB of memory in use. ENERGY: 4057400 746.4432 2114.0466 1912.3174 116.2711 -206282.1802 17714.3286 0.0000 0.0000 34366.8694 -149311.9039 300.1344 -183678.7733 -149218.0788 298.8069 -116.6886 -86.6149 558055.3299 -3.5210 -3.1852 PRESSURE: 4057600 -262.479 169.591 36.0027 169.591 32.8232 2.69868 36.0015 2.69945 -61.7746 GPRESSURE: 4057600 -235.242 196.895 -32.4443 159.927 80.7673 -37.4939 144.554 19.2948 -49.1616 PRESSAVG: 4057600 23.5008 49.6139 -11.7487 49.6137 -5.95372 35.975 -11.7488 35.975 20.9561 GPRESSAVG: 4057600 22.6237 47.051 -14.0409 48.6622 -4.42979 37.1921 -7.22765 36.487 20.8574 TIMING: 4057600 CPU: 12201.6, 0.00296813/step Wall: 12201.6, 0.00296813/step, 0.776991 hours remaining, 209.902344 MB of memory in use. ENERGY: 4057600 779.0574 2079.3519 1935.9444 125.7114 -205965.5207 17678.7011 0.0000 0.0000 34039.0969 -149327.6577 297.2719 -183366.7546 -149229.3832 299.3419 -97.1435 -67.8789 556846.8316 12.8344 13.0171 PRESSURE: 4057800 90.9943 86.6592 -93.9133 86.6599 -279.107 38.1364 -93.9141 38.1377 -158.045 GPRESSURE: 4057800 161.47 55.1684 -72.9284 51.2652 -270.977 57.434 -64.736 41.3506 -146.205 PRESSAVG: 4057800 -0.441509 74.0689 17.4042 74.0689 -13.314 -13.1297 17.4043 -13.1297 7.40938 GPRESSAVG: 4057800 0.19476 72.9139 20.2197 75.3654 -13.6421 -12.3808 13.3704 -15.6574 7.03163 TIMING: 4057800 CPU: 12202.2, 0.00297467/step Wall: 12202.2, 0.00297467/step, 0.778538 hours remaining, 210.097656 MB of memory in use. ENERGY: 4057800 768.1248 2110.3205 1934.2543 99.1038 -206069.6305 17658.7624 0.0000 0.0000 34244.9385 -149254.1261 299.0696 -183499.0646 -149159.6355 299.7495 -115.3861 -85.2371 557139.4757 -2.1154 -2.1386 PRESSURE: 4058000 -48.3603 25.4994 -123.481 25.4978 119.205 -94.0355 -123.481 -94.0346 -137.264 GPRESSURE: 4058000 -23.9854 -14.5391 -88.5088 -12.8933 144.415 -39.4773 -112.376 -110.063 -77.4285 PRESSAVG: 4058000 29.8364 25.7072 -61.5282 25.7072 39.3454 31.3362 -61.5281 31.3363 -51.1347 GPRESSAVG: 4058000 28.9643 25.9761 -59.9322 26.6856 39.6312 31.2836 -59.9778 32.2213 -50.2145 TIMING: 4058000 CPU: 12202.8, 0.00295965/step Wall: 12202.8, 0.00295965/step, 0.77444 hours remaining, 210.097656 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: 4058000 730.9786 2055.0235 1985.0574 114.5533 -206374.1523 17889.2297 0.0000 0.0000 34451.9457 -149147.3641 300.8774 -183599.3098 -149045.5019 299.7010 -22.1397 14.3338 556918.2017 6.0157 6.1270 PRESSURE: 4058200 151.836 56.3473 45.9961 56.3482 -35.2072 91.962 45.9958 91.9627 -151.26 GPRESSURE: 4058200 158.39 81.4099 -4.22061 97.302 -43.6483 162.371 -21.879 48.1567 -61.5419 PRESSAVG: 4058200 -89.6334 8.77085 -28.8848 8.77081 19.1059 -26.0707 -28.8848 -26.0709 28.1748 GPRESSAVG: 4058200 -91.3301 7.86566 -29.1271 7.49761 19.2867 -27.3041 -31.3426 -25.5531 29.1424 TIMING: 4058200 CPU: 12203.4, 0.00298124/step Wall: 12203.4, 0.00298124/step, 0.779925 hours remaining, 210.097656 MB of memory in use. ENERGY: 4058200 751.6130 2101.6769 1950.9563 109.8169 -206348.6137 17878.8018 0.0000 0.0000 34253.0670 -149302.6818 299.1406 -183555.7488 -149204.2036 299.4342 -11.5436 17.7331 556753.5477 -14.1176 -14.3003 PRESSURE: 4058400 135.503 34.9948 -14.9825 34.9952 5.98112 -61.1146 -14.983 -61.1151 -126.246 GPRESSURE: 4058400 171.563 3.81598 123.718 -16.8895 0.935906 -16.3404 -35.3092 -18.2304 -68.7072 PRESSAVG: 4058400 -2.41165 20.8633 -6.12592 20.8633 14.4512 -63.0564 -6.12589 -63.0564 -27.4989 GPRESSAVG: 4058400 -0.547328 23.0674 -6.91329 19.5156 13.9431 -62.9789 -3.03444 -63.6302 -28.7251 TIMING: 4058400 CPU: 12204, 0.00297706/step Wall: 12204, 0.00297706/step, 0.778666 hours remaining, 210.097656 MB of memory in use. ENERGY: 4058400 710.8431 2137.1055 1965.5759 115.3157 -206350.9746 17783.9054 0.0000 0.0000 34286.2499 -149351.9792 299.4303 -183638.2290 -149259.2547 299.9325 5.0794 34.5972 555534.2036 -5.1531 -5.1098 PRESSURE: 4058600 -225.301 -165.445 83.582 -165.445 82.0935 -88.4601 83.5829 -88.4599 -210.858 GPRESSURE: 4058600 -188.306 -125.186 118.307 -144.243 95.8998 -216.576 36.6628 -60.5883 -163.862 PRESSAVG: 4058600 -44.0372 -14.0048 -16.9045 -14.0047 24.6803 -13.2636 -16.9045 -13.2636 7.29461 GPRESSAVG: 4058600 -44.2134 -14.0856 -18.7616 -11.9625 24.6429 -13.084 -17.7377 -12.4701 7.54431 TIMING: 4058600 CPU: 12204.6, 0.0029879/step Wall: 12204.6, 0.00298789/step, 0.781334 hours remaining, 210.097656 MB of memory in use. ENERGY: 4058600 769.6578 2115.0057 1934.1545 113.3617 -206367.1712 17743.7096 0.0000 0.0000 34347.9005 -149343.3814 299.9688 -183691.2819 -149248.3126 299.2395 -118.0218 -85.4226 557757.3739 -4.0208 -4.0087 PRESSURE: 4058800 -58.5693 -126.814 93.1297 -126.815 133.088 -67.0786 93.1297 -67.0767 -309.387 GPRESSURE: 4058800 -69.5353 -159.245 -20.8544 -91.3328 100.338 -14.1177 132.499 -100.097 -156.851 PRESSAVG: 4058800 -49.6045 -23.5397 -37.8296 -23.5398 14.9624 -59.4317 -37.8296 -59.4317 -11.6278 GPRESSAVG: 4058800 -48.3002 -23.9603 -35.8638 -24.6178 14.937 -59.6027 -38.7663 -60.6657 -12.4209 TIMING: 4058800 CPU: 12205.2, 0.0029636/step Wall: 12205.2, 0.00296361/step, 0.774818 hours remaining, 210.097656 MB of memory in use. ENERGY: 4058800 737.2610 2098.0206 1961.3277 104.9886 -206175.0554 17807.0879 0.0000 0.0000 34214.5930 -149251.7765 298.8046 -183466.3695 -149159.4713 299.0071 -78.2895 -42.0161 558828.9050 -15.4233 -15.2614 PRESSURE: 4059000 -323.448 -75.1118 -70.2959 -75.1126 -145.58 -57.3032 -70.2949 -57.3039 -243.598 GPRESSURE: 4059000 -265.145 -103.001 -129.878 -102.039 -145.15 -55.5502 -106.226 -57.6804 -197.006 PRESSAVG: 4059000 4.30273 9.24284 -52.0764 9.24286 -1.93779 3.86263 -52.0764 3.86256 1.70587 GPRESSAVG: 4059000 3.62028 8.71434 -54.7427 9.67711 -1.39084 3.01256 -49.6541 5.38781 2.1693 TIMING: 4059000 CPU: 12205.8, 0.00295742/step Wall: 12205.8, 0.00295742/step, 0.773036 hours remaining, 210.097656 MB of memory in use. ENERGY: 4059000 747.3833 2162.1227 1945.3925 96.5871 -205977.8974 17477.9875 0.0000 0.0000 34087.6212 -149460.8030 297.6957 -183548.4242 -149364.1329 299.3571 -237.5421 -202.4336 559404.8970 1.3569 1.4662 PRESSURE: 4059200 182.374 122.201 -14.4087 122.201 61.2409 239.667 -14.408 239.668 40.4536 GPRESSURE: 4059200 249.954 93.6218 -92.3865 130.892 47.2291 348.308 12.2744 202.014 82.9158 PRESSAVG: 4059200 1.99536 11.2449 -2.15669 11.2449 26.0141 5.32772 -2.15666 5.32781 -4.56245 GPRESSAVG: 4059200 1.5436 10.0199 -2.16462 11.4109 26.3814 7.18109 -2.16585 4.3122 -4.88478 TIMING: 4059200 CPU: 12206.3, 0.00295738/step Wall: 12206.3, 0.00295738/step, 0.772863 hours remaining, 210.097656 MB of memory in use. ENERGY: 4059200 739.6789 2140.3894 1951.7019 125.4763 -206409.7103 18113.6272 0.0000 0.0000 33982.0961 -149356.7404 296.7741 -183338.8365 -149257.3594 299.1683 94.6894 126.6996 557910.5796 7.8157 7.6801 PRESSURE: 4059400 -195.338 -66.8657 242.009 -66.8653 -350.142 -209.341 242.008 -209.34 -206.655 GPRESSURE: 4059400 -153.035 5.29151 199.315 -62.9858 -342.905 -103.673 190.108 -254.009 -169.253 PRESSAVG: 4059400 19.781 -7.82037 47.8015 -7.82044 29.217 107.483 47.8015 107.483 -17.4745 GPRESSAVG: 4059400 19.8324 -4.76715 49.1089 -8.36096 28.6004 105.787 45.9198 109.756 -16.7109 TIMING: 4059400 CPU: 12206.9, 0.00296903/step Wall: 12206.9, 0.00296903/step, 0.775741 hours remaining, 210.097656 MB of memory in use. ENERGY: 4059400 775.8010 2095.0709 1976.1315 126.2588 -206093.3968 17573.0276 0.0000 0.0000 34148.2530 -149398.8540 298.2252 -183547.1070 -149300.6713 298.8865 -250.7115 -221.7310 558283.4628 10.5078 10.5740 PRESSURE: 4059600 121.489 -45.0914 21.1878 -45.0894 255.346 -79.0557 21.1882 -79.0554 103.23 GPRESSURE: 4059600 154.819 28.7442 6.13305 -41.9269 300.841 -28.5161 10.3903 -101.923 121.301 PRESSAVG: 4059600 -0.161243 27.5187 21.6487 27.5187 27.5759 79.3816 21.6487 79.3815 -16.7197 GPRESSAVG: 4059600 -1.19001 27.4693 19.5184 28.2204 28.6069 79.4352 25.8661 76.7114 -16.1167 TIMING: 4059600 CPU: 12207.5, 0.00294651/step Wall: 12207.5, 0.00294651/step, 0.769693 hours remaining, 210.097656 MB of memory in use. ENERGY: 4059600 731.0557 2100.7387 1912.9077 112.7646 -206350.3966 17861.1996 0.0000 0.0000 34104.6746 -149527.0557 297.8446 -183631.7303 -149433.3072 298.0433 160.0218 192.3205 555423.2831 3.5650 3.7667 PRESSURE: 4059800 5.06684 123.328 -76.8607 123.328 -223.29 -104.961 -76.8596 -104.961 -191.989 GPRESSURE: 4059800 102.002 98.292 -200.559 93.9964 -192.251 -162.895 11.7304 -48.5253 -200.817 PRESSAVG: 4059800 21.5537 -1.28032 43.1625 -1.28026 27.2608 46.2315 43.1625 46.2316 -63.5931 GPRESSAVG: 4059800 22.6108 -2.85351 43.1335 -3.01145 25.7659 45.3622 41.3945 46.3608 -63.1276 TIMING: 4059800 CPU: 12208.1, 0.00297089/step Wall: 12208.1, 0.00297089/step, 0.775897 hours remaining, 210.097656 MB of memory in use. ENERGY: 4059800 752.9792 2135.7134 1929.8107 109.3872 -206138.8936 17565.0306 0.0000 0.0000 33995.6202 -149650.3522 296.8922 -183645.9724 -149555.5154 298.3636 -136.7375 -97.0222 556307.1188 -4.9262 -4.9169 PRESSURE: 4060000 -391.994 -87.004 82.3876 -87.0052 -179.973 51.6452 82.3871 51.6439 90.7422 GPRESSURE: 4060000 -359.766 -100.314 102.112 -119.755 -116.022 69.0341 -42.3669 14.1115 96.6278 PRESSAVG: 4060000 12.0816 -29.7753 50.4214 -29.7753 -3.93661 -12.7322 50.4214 -12.7323 -4.66223 GPRESSAVG: 4060000 12.3504 -29.3011 51.5786 -28.5834 -3.4893 -12.5843 49.1708 -11.8225 -5.60382 TIMING: 4060000 CPU: 12208.7, 0.00294893/step Wall: 12208.7, 0.00294893/step, 0.769999 hours remaining, 210.097656 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: 4060000 762.7128 2103.4726 1940.8419 102.3308 -206525.0656 17880.2855 0.0000 0.0000 34192.2482 -149543.1738 298.6094 -183735.4220 -149446.5211 298.0229 -160.4082 -126.3869 558114.6253 1.1609 1.0858 PRESSURE: 4060200 -94.9192 227.303 -153.333 227.301 -82.2555 58.2341 -153.333 58.2339 -303.901 GPRESSURE: 4060200 -30.1339 258.259 -90.5967 267.433 -78.5007 157.364 -255.434 -25.1488 -269.656 PRESSAVG: 4060200 -23.1178 17.5226 -11.2141 17.5226 32.2605 43.2326 -11.214 43.2326 -44.5447 GPRESSAVG: 4060200 -23.6455 19.3187 -10.5164 17.4508 33.1798 44.9305 -12.9223 43.1798 -44.5683 TIMING: 4060200 CPU: 12209.3, 0.00293136/step Wall: 12209.3, 0.00293136/step, 0.765247 hours remaining, 210.097656 MB of memory in use. ENERGY: 4060200 769.4406 2084.8918 1931.4825 109.5201 -205941.7862 17518.7141 0.0000 0.0000 34095.3646 -149432.3726 297.7633 -183527.7371 -149336.3450 299.2639 -160.3584 -126.0969 557665.8136 -11.8006 -11.6780 LDB: ============= START OF LOAD BALANCING ============== 12212.8 LDB: ============== END OF LOAD BALANCING =============== 12212.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12212.8 LDB: ============= START OF LOAD BALANCING ============== 12213.1 LDB: Largest compute 4773 load 0.026926 is 22.8% of average load 0.118319 LDB: Average compute 0.001710 is 1.4% of average load 0.118319 LDB: TIME 12213.1 LOAD: AVG 0.118319 MAX 0.201172 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.121 MB LDB: TIME 12213.1 LOAD: AVG 0.118319 MAX 0.201172 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.121 MB LDB: TIME 12213.1 LOAD: AVG 0.118319 MAX 0.201172 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.121 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12213.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12213.1 PRESSURE: 4060400 106.827 -89.4461 -89.7824 -89.4453 -86.3594 -84.5799 -89.7819 -84.5818 20.5716 GPRESSURE: 4060400 142.536 -62.8422 -169.026 -84.4196 -122.196 51.7894 -21.7088 -70.3503 117.249 PRESSAVG: 4060400 18.504 13.5799 -57.4529 13.5798 -4.8534 34.9474 -57.4529 34.9474 -22.423 GPRESSAVG: 4060400 17.8714 11.442 -57.0235 14.6666 -3.88674 35.2444 -56.8955 34.69 -22.554 TIMING: 4060400 CPU: 12209.9, 0.00298683/step Wall: 12209.9, 0.00298683/step, 0.779562 hours remaining, 208.429688 MB of memory in use. ENERGY: 4060400 748.4843 2076.0657 1965.0696 115.9688 -206662.0246 17996.2506 0.0000 0.0000 34256.4029 -149503.7827 299.1697 -183760.1855 -149408.3795 299.2137 13.6798 45.8630 556619.7239 -2.9241 -2.8565 PRESSURE: 4060600 -241.182 33.8201 122.955 33.8207 158.306 -96.629 122.955 -96.6288 26.9937 GPRESSURE: 4060600 -178.675 43.5795 -7.12094 36.516 199.799 -169.216 110.833 -60.4579 20.2452 PRESSAVG: 4060600 -62.0339 -20.087 -2.31298 -20.0869 -71.2882 -18.2432 -2.31304 -18.2432 102.735 GPRESSAVG: 4060600 -60.4912 -17.5881 -3.49047 -21.6206 -71.5017 -19.2575 -1.78285 -17.8698 101.707 TIMING: 4060600 CPU: 12210.5, 0.00292138/step Wall: 12210.5, 0.00292138/step, 0.762319 hours remaining, 208.632812 MB of memory in use. ENERGY: 4060600 766.6629 2038.7344 1935.0386 117.4184 -206557.9632 17921.5112 0.0000 0.0000 34233.8099 -149544.7879 298.9724 -183778.5977 -149443.6490 298.3782 -18.6274 13.7898 556878.4471 -10.1958 -10.0954 PRESSURE: 4060800 -103.078 1.99744 -33.1051 1.99898 235.381 -39.3915 -33.1054 -39.3923 114.375 GPRESSURE: 4060800 -114.119 5.94362 -11.5119 13.0193 276.688 -42.1643 -70.9941 -88.4837 178.812 PRESSAVG: 4060800 -9.05151 66.82 18.8067 66.82 10.0941 -37.4035 18.8066 -37.4036 6.76328 GPRESSAVG: 4060800 -9.92187 64.9193 21.5975 69.73 9.82958 -35.3092 18.3405 -37.4956 7.99888 TIMING: 4060800 CPU: 12211.1, 0.0029508/step Wall: 12211.1, 0.0029508/step, 0.769831 hours remaining, 208.632812 MB of memory in use. ENERGY: 4060800 752.6391 2122.4457 1941.1755 114.2076 -206794.0878 18044.6958 0.0000 0.0000 34224.5929 -149594.3311 298.8919 -183818.9240 -149500.3955 298.5452 82.2260 113.7937 555655.6064 2.6020 2.6355 PRESSURE: 4061000 -192.916 53.6178 -14.4627 53.6166 51.9218 -149.87 -14.4629 -149.87 -190.504 GPRESSURE: 4061000 -208.271 36.2532 23.582 46.1552 175.53 -174.741 -31.7303 -100.131 -207.225 PRESSAVG: 4061000 -12.2576 -36.1714 -14.5406 -36.1715 18.5412 -57.1737 -14.5406 -57.1737 -32.3686 GPRESSAVG: 4061000 -12.119 -37.4963 -16.8094 -37.2801 19.4645 -58.7783 -15.1596 -58.8113 -33.6244 TIMING: 4061000 CPU: 12211.7, 0.00297558/step Wall: 12211.7, 0.00297558/step, 0.776132 hours remaining, 208.632812 MB of memory in use. ENERGY: 4061000 791.0167 2045.2216 1933.1509 105.5116 -206390.8705 17789.3320 0.0000 0.0000 34186.7713 -149539.8664 298.5616 -183726.6378 -149443.6838 299.0717 -110.4996 -79.9886 556789.0412 -8.6950 -8.7596 PRESSURE: 4061200 49.7174 -1.66819 -33.5777 -1.66758 -17.5771 -171.855 -33.5763 -171.856 254.801 GPRESSURE: 4061200 75.7597 -31.8854 -22.7719 -37.4894 44.615 -164.762 -19.6157 -196.207 266.136 PRESSAVG: 4061200 26.234 23.2759 16.5774 23.2759 33.7511 -43.5885 16.5773 -43.5885 5.68365 GPRESSAVG: 4061200 25.1489 24.8024 15.6213 22.4562 33.191 -44.5393 18.4738 -41.3233 7.06303 TIMING: 4061200 CPU: 12212.3, 0.00297296/step Wall: 12212.3, 0.00297296/step, 0.775283 hours remaining, 208.632812 MB of memory in use. ENERGY: 4061200 697.6395 2096.1452 1961.9912 116.6728 -206354.0492 17904.6218 0.0000 0.0000 34047.2113 -149529.7674 297.3428 -183576.9787 -149436.0346 298.5966 95.6471 128.8368 556559.4586 21.8896 21.8010 PRESSURE: 4061400 -274.428 -176.917 -55.5146 -176.917 -359.138 -22.9779 -55.515 -22.9807 -247.091 GPRESSURE: 4061400 -287.906 -233.733 -46.3244 -130.431 -320.469 -46.9837 -89.1768 -23.1978 -167.7 PRESSAVG: 4061400 10.2637 -57.3212 40.5404 -57.3212 108.369 -50.6465 40.5404 -50.6465 -81.7079 GPRESSAVG: 4061400 9.80633 -57.3389 42.3922 -57.7146 109.068 -49.9573 40.4847 -50.0574 -82.296 TIMING: 4061400 CPU: 12212.9, 0.00297169/step Wall: 12212.9, 0.00297169/step, 0.774785 hours remaining, 208.632812 MB of memory in use. ENERGY: 4061400 756.0032 2107.0347 1956.8504 123.1037 -206116.5032 17400.9554 0.0000 0.0000 34334.2988 -149438.2571 299.8500 -183772.5559 -149344.2253 298.7195 -293.5524 -258.6917 556734.1596 12.3083 12.1927 PRESSURE: 4061600 53.3551 116.13 -54.0684 116.13 -26.6453 -189.529 -54.0687 -189.528 -116.749 GPRESSURE: 4061600 78.9731 187.91 12.6536 76.5518 -5.08293 -167.521 27.7597 -153.518 -70.6385 PRESSAVG: 4061600 67.9947 -50.3561 -7.61367 -50.3561 -22.7892 -92.6513 -7.61377 -92.6513 24.4345 GPRESSAVG: 4061600 68.8742 -50.7098 -7.14363 -50.0601 -24.0734 -91.9001 -9.35025 -93.7959 24.8808 TIMING: 4061600 CPU: 12213.4, 0.00294511/step Wall: 12213.4, 0.00294511/step, 0.767693 hours remaining, 208.632812 MB of memory in use. ENERGY: 4061600 749.7954 2064.7124 1934.9348 128.6992 -206478.7947 17773.3490 0.0000 0.0000 34385.4294 -149441.8746 300.2965 -183827.3040 -149339.1365 299.2119 -30.0132 1.0839 556597.9714 23.2133 23.2272 PRESSURE: 4061800 207.659 -88.8356 18.0771 -88.8352 -92.7505 -196.757 18.0769 -196.757 131.161 GPRESSURE: 4061800 249.357 -47.8995 -0.453194 -27.8928 -43.2806 -139.308 -53.1422 -234.91 144.519 PRESSAVG: 4061800 -30.4434 -10.4936 -72.4177 -10.4936 -19.6293 -60.3316 -72.4177 -60.3315 59.8432 GPRESSAVG: 4061800 -31.8967 -9.89365 -73.6299 -9.80052 -18.7128 -60.4432 -71.5116 -62.3751 60.3702 TIMING: 4061800 CPU: 12214, 0.00295343/step Wall: 12214, 0.00295343/step, 0.769698 hours remaining, 208.632812 MB of memory in use. ENERGY: 4061800 738.8311 2084.2865 1943.0041 123.5864 -206437.7301 17780.3011 0.0000 0.0000 34348.1069 -149419.6142 299.9706 -183767.7210 -149329.0352 299.0545 82.0230 116.8653 556048.5505 3.2569 3.2536 PRESSURE: 4062000 -10.9545 67.7813 12.3215 67.7807 -43.7974 -54.0368 12.3217 -54.0359 -88.6731 GPRESSURE: 4062000 41.0997 76.227 30.4735 67.5397 7.41039 -68.573 22.4456 -48.9971 -98.6359 PRESSAVG: 4062000 28.927 1.70887 1.99756 1.70886 -8.13891 -29.6514 1.99753 -29.6513 -37.5725 GPRESSAVG: 4062000 30.729 0.479729 3.29946 2.00129 -8.84073 -29.2169 1.7009 -29.9401 -38.7431 TIMING: 4062000 CPU: 12214.6, 0.00295292/step Wall: 12214.6, 0.00295292/step, 0.769399 hours remaining, 208.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4062000 774.3917 2070.2742 1942.6710 123.1512 -206293.7957 17739.8441 0.0000 0.0000 34075.6453 -149567.8182 297.5911 -183643.4635 -149476.9281 298.4855 -47.8083 -16.7086 555702.7832 -5.5948 -5.6183 PRESSURE: 4062200 -195.081 18.4903 -82.2182 18.4927 -84.0163 -151.805 -82.2181 -151.807 -58.058 GPRESSURE: 4062200 -105.308 -11.5497 -94.4098 25.1447 -72.33 -120.387 -76.9048 -109.367 -53.8129 PRESSAVG: 4062200 32.5646 49.2707 -28.436 49.2708 -21.1081 -100.185 -28.436 -100.185 8.00597 GPRESSAVG: 4062200 32.7157 50.0155 -28.5349 46.2492 -20.5273 -100.88 -28.1006 -99.0333 7.5442 TIMING: 4062200 CPU: 12215.2, 0.00294323/step Wall: 12215.2, 0.00294323/step, 0.766712 hours remaining, 208.632812 MB of memory in use. ENERGY: 4062200 790.6277 2063.0137 1901.0381 105.0538 -206380.3179 17732.4244 0.0000 0.0000 34236.8573 -149551.3028 298.9990 -183788.1601 -149458.8571 298.7407 -112.3852 -77.1502 555647.1152 6.4875 6.5775 PRESSURE: 4062400 -266.623 87.6954 -71.2115 87.6952 -178.141 71.9864 -71.2116 71.9867 41.1784 GPRESSURE: 4062400 -269.299 59.9426 -64.8876 135.428 -128.189 140.439 -44.8216 -21.6583 85.939 PRESSAVG: 4062400 -42.3291 -13.2599 -3.40561 -13.2599 26.2764 -31.6323 -3.40565 -31.6323 38.5434 GPRESSAVG: 4062400 -43.0078 -13.6259 -4.4213 -11.0063 25.6877 -29.5528 -2.14189 -29.2187 39.5361 TIMING: 4062400 CPU: 12215.8, 0.0029197/step Wall: 12215.8, 0.0029197/step, 0.760419 hours remaining, 208.632812 MB of memory in use. ENERGY: 4062400 746.7019 2031.6914 1958.5132 127.6375 -206336.5512 17666.7350 0.0000 0.0000 34304.5721 -149500.7001 299.5904 -183805.2722 -149404.3471 299.1176 -134.5283 -103.8496 556671.4631 7.4969 7.4053 PRESSURE: 4062600 -313.912 114.162 77.5279 114.161 -121.572 124.064 77.5296 124.065 -41.2521 GPRESSURE: 4062600 -264.438 141.383 128.556 152.83 -17.2889 213.413 37.3488 138.269 -97.4365 PRESSAVG: 4062600 -87.4363 28.5232 52.7513 28.5232 40.6721 13.2533 52.7514 13.2532 45.2972 GPRESSAVG: 4062600 -88.1092 28.9849 52.2952 26.3705 41.0912 14.2106 52.2388 10.5077 45.4736 TIMING: 4062600 CPU: 12216.4, 0.00292863/step Wall: 12216.4, 0.00292863/step, 0.762582 hours remaining, 208.632812 MB of memory in use. ENERGY: 4062600 787.3209 2101.7581 1930.2579 121.4083 -206005.4457 17522.9840 0.0000 0.0000 34237.9060 -149303.8105 299.0081 -183541.7166 -149207.8567 299.3208 -158.9120 -126.3879 557341.8400 -0.4890 -0.5148 PRESSURE: 4062800 -305.534 -69.4707 12.17 -69.4714 -134.797 -7.95044 12.1689 -7.95137 52.0103 GPRESSURE: 4062800 -276.787 -137.716 -102.989 -54.9944 -142.771 11.7627 21.1199 -7.50728 115.618 PRESSAVG: 4062800 -15.7045 16.7004 14.5806 16.7004 -32.0598 -3.76813 14.5806 -3.76803 59.6908 GPRESSAVG: 4062800 -15.7092 16.9924 14.9355 19.0303 -31.2312 -5.50621 13.2557 -4.10551 58.3802 TIMING: 4062800 CPU: 12217, 0.00295509/step Wall: 12217, 0.00295509/step, 0.769308 hours remaining, 208.632812 MB of memory in use. ENERGY: 4062800 769.6030 2074.1044 1957.3165 117.6143 -205767.7881 17566.3710 0.0000 0.0000 34174.0576 -149108.7213 298.4505 -183282.7789 -149011.7198 299.1576 -129.4403 -101.3135 557705.0038 3.9755 3.8133 PRESSURE: 4063000 -30.6315 -5.90611 -121.612 -5.90755 115.504 -56.5142 -121.612 -56.5142 10.4081 GPRESSURE: 4063000 -11.8919 20.6868 -20.9676 22.9253 120.073 -84.5631 -134.302 4.27606 80.6452 PRESSAVG: 4063000 29.271 -46.2899 -52.0616 -46.2899 27.211 14.9375 -52.0615 14.9374 -22.6033 GPRESSAVG: 4063000 29.8766 -46.4394 -52.8473 -46.4806 26.3403 15.5689 -52.0491 13.9647 -22.7401 TIMING: 4063000 CPU: 12217.6, 0.00295065/step Wall: 12217.6, 0.00295065/step, 0.767988 hours remaining, 208.632812 MB of memory in use. ENERGY: 4063000 717.8276 2076.2798 1949.4065 113.7536 -206142.8435 17842.1592 0.0000 0.0000 34281.9712 -149161.4455 299.3930 -183443.4167 -149061.6197 299.2353 31.7602 62.9420 557026.8357 11.2929 11.1589 PRESSURE: 4063200 -208.149 131.899 159.128 131.899 -57.3966 -103.172 159.128 -103.173 -199.597 GPRESSURE: 4063200 -194.326 47.2221 219.926 201.768 14.4028 -87.7981 139.744 9.21693 -190.018 PRESSAVG: 4063200 -27.6456 25.073 -5.48434 25.073 63.5477 -20.1083 -5.48432 -20.1083 -25.3255 GPRESSAVG: 4063200 -27.6909 24.4158 -2.89597 24.8206 63.9014 -21.4839 -7.23832 -20.1216 -25.8963 TIMING: 4063200 CPU: 12218.2, 0.00297084/step Wall: 12218.2, 0.00297084/step, 0.773079 hours remaining, 208.632812 MB of memory in use. ENERGY: 4063200 754.8606 2093.9413 1933.4144 105.4482 -206099.8564 17571.8062 0.0000 0.0000 34275.8802 -149364.5056 299.3398 -183640.3858 -149265.8125 299.0778 -155.0476 -123.3138 558267.7945 3.5255 3.4381 PRESSURE: 4063400 -110.286 -142.592 50.4524 -142.592 -115.509 -82.4821 50.4519 -82.4804 -173.837 GPRESSURE: 4063400 -106.852 -142.105 29.4441 -134.328 -62.929 40.5739 15.6674 -184.506 -140.793 PRESSAVG: 4063400 -26.7654 -37.7933 -8.45371 -37.7932 13.3543 -6.79412 -8.45379 -6.79415 4.31417 GPRESSAVG: 4063400 -26.6856 -35.9904 -8.78918 -39.1121 12.2588 -6.45827 -4.90523 -5.52806 4.75524 TIMING: 4063400 CPU: 12218.8, 0.00297648/step Wall: 12218.8, 0.00297648/step, 0.77438 hours remaining, 208.632812 MB of memory in use. ENERGY: 4063400 750.4067 2078.0882 1975.2625 120.8665 -206240.6865 17651.6435 0.0000 0.0000 34398.9271 -149265.4920 300.4144 -183664.4190 -149159.5209 298.5396 -133.2105 -103.5247 559114.1929 -3.0323 -3.2239 PRESSURE: 4063600 226.244 -148.684 84.9844 -148.685 -78.1991 -57.8297 84.9833 -57.8303 -127.484 GPRESSURE: 4063600 235.366 -106.598 33.6301 -153.509 2.1915 -43.6801 84.3383 -144.486 -120.495 PRESSAVG: 4063600 14.482 -44.6589 7.96656 -44.6589 -43.4429 -11.1141 7.96658 -11.1142 -7.02082 GPRESSAVG: 4063600 14.0591 -45.3216 6.3387 -44.4324 -43.1171 -12.9424 4.92029 -9.1261 -6.00341 TIMING: 4063600 CPU: 12219.3, 0.00297057/step Wall: 12219.3, 0.00297057/step, 0.772679 hours remaining, 208.632812 MB of memory in use. ENERGY: 4063600 765.0991 2106.5953 1961.5844 107.2079 -206167.3134 17861.3068 0.0000 0.0000 34220.0288 -149145.4911 298.8520 -183365.5199 -149054.8680 298.7351 6.8538 39.0205 556916.7000 -11.9939 -11.6871 PRESSURE: 4063800 -80.5292 -164.774 -75.1709 -164.775 -58.9429 105.875 -75.1716 105.873 -88.3757 GPRESSURE: 4063800 1.88319 -87.8154 -104.659 -218.452 1.58514 66.676 -61.4925 94.9964 -132.702 PRESSAVG: 4063800 -32.294 -39.6531 67.6641 -39.653 -12.4295 -67.8624 67.6641 -67.8624 48.2494 GPRESSAVG: 4063800 -31.8359 -40.692 68.2491 -37.9708 -12.4387 -66.6895 69.7079 -69.757 47.7069 TIMING: 4063800 CPU: 12219.9, 0.00297455/step Wall: 12219.9, 0.00297455/step, 0.773549 hours remaining, 208.632812 MB of memory in use. ENERGY: 4063800 750.6555 2097.3142 1945.0094 112.1284 -205971.9956 17620.0472 0.0000 0.0000 34232.2186 -149214.6224 298.9585 -183446.8410 -149110.0095 299.2720 -75.9493 -43.0780 557378.5979 1.1753 1.1441 PRESSURE: 4064000 -213.974 -134.063 134.688 -134.063 47.5374 186.878 134.687 186.877 198.716 GPRESSURE: 4064000 -149.562 -74.2592 158.976 -157.309 73.6839 117.707 59.1877 222.643 206.484 PRESSAVG: 4064000 -20.6208 -76.5547 60.5792 -76.5548 10.1458 -55.2473 60.5791 -55.2474 22.8631 GPRESSAVG: 4064000 -20.4506 -76.6851 61.0271 -76.2773 11.1291 -55.3352 60.6347 -54.2246 21.9459 TIMING: 4064000 CPU: 12220.5, 0.00297354/step Wall: 12220.5, 0.00297354/step, 0.77312 hours remaining, 208.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4064000 721.7720 2074.2163 1927.1306 107.1290 -206347.4449 17847.5539 0.0000 0.0000 34319.1158 -149350.5272 299.7174 -183669.6430 -149250.9352 298.6886 10.7597 43.5354 556322.1429 4.1294 4.2081 PRESSURE: 4064200 114.449 10.5555 -238.682 10.555 104.688 81.5077 -238.681 81.5072 -63.5427 GPRESSURE: 4064200 137.021 40.5039 -225.811 19.01 120.967 -93.8131 -245.534 89.5285 -5.96187 PRESSAVG: 4064200 49.3636 45.2339 18.0324 45.2339 6.62352 31.0111 18.0325 31.011 -23.6177 GPRESSAVG: 4064200 48.9568 46.5638 17.6711 43.0562 6.30526 32.025 20.3047 30.6551 -22.4242 TIMING: 4064200 CPU: 12221.1, 0.00298424/step Wall: 12221.1, 0.00298424/step, 0.775738 hours remaining, 208.632812 MB of memory in use. ENERGY: 4064200 749.1965 2095.1266 1973.4044 107.7651 -206186.7104 17756.0297 0.0000 0.0000 34348.7168 -149156.4713 299.9759 -183505.1881 -149063.9370 299.4172 51.8650 84.0087 557300.9260 10.7898 10.9460 LDB: ============= START OF LOAD BALANCING ============== 12224.6 LDB: ============== END OF LOAD BALANCING =============== 12224.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12224.6 LDB: ============= START OF LOAD BALANCING ============== 12224.9 LDB: Largest compute 4802 load 0.027981 is 23.7% of average load 0.118235 LDB: Average compute 0.001730 is 1.5% of average load 0.118235 LDB: TIME 12224.9 LOAD: AVG 0.118235 MAX 0.205165 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.711 MB LDB: TIME 12224.9 LOAD: AVG 0.118235 MAX 0.205165 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.914 MB LDB: TIME 12224.9 LOAD: AVG 0.118235 MAX 0.205165 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.914 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12224.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12225 PRESSURE: 4064400 -122.463 -183.358 -245.588 -183.357 -237.307 45.0964 -245.588 45.0966 -310.103 GPRESSURE: 4064400 -114.061 -155.417 -229.288 -168.846 -137.824 105.255 -224.382 51.6212 -333.171 PRESSAVG: 4064400 -7.07299 7.70479 -40.7734 7.70473 -16.42 0.888618 -40.7734 0.888617 36.9065 GPRESSAVG: 4064400 -6.51933 9.06135 -40.7887 9.30844 -18.0958 2.71283 -40.7593 -1.33081 37.3718 TIMING: 4064400 CPU: 12221.7, 0.00302626/step Wall: 12221.7, 0.00302626/step, 0.786492 hours remaining, 209.148438 MB of memory in use. ENERGY: 4064400 750.4353 2109.3199 1946.9228 109.4577 -205858.7293 17563.8017 0.0000 0.0000 34275.1591 -149103.6328 299.3335 -183378.7918 -149001.6855 300.0178 -223.2911 -195.0187 557556.1731 4.4712 4.2522 PRESSURE: 4064600 -128.815 50.2114 -133.736 50.2119 -9.00363 -5.83797 -133.737 -5.83921 -149.887 GPRESSURE: 4064600 -137.945 105.185 -165.678 -39.7858 27.6001 -162.599 -107.828 45.0178 -80.3955 PRESSAVG: 4064600 24.5727 18.1334 -33.8518 18.1334 -57.4373 -5.93984 -33.8519 -5.93981 17.8185 GPRESSAVG: 4064600 23.9481 16.8634 -34.7847 18.0973 -56.5415 -8.23218 -35.5711 -3.64624 17.3211 TIMING: 4064600 CPU: 12222.3, 0.00300524/step Wall: 12222.3, 0.00300524/step, 0.780861 hours remaining, 209.199219 MB of memory in use. ENERGY: 4064600 777.2472 2099.0312 1925.8847 127.4392 -206121.5383 17700.2366 0.0000 0.0000 34402.6498 -149089.0497 300.4469 -183491.6995 -148990.1549 299.9107 -95.9019 -63.5800 555865.1400 -5.0154 -5.0908 PRESSURE: 4064800 -128.971 -121.218 -139.201 -121.217 -14.5274 -84.0272 -139.2 -84.027 -403.179 GPRESSURE: 4064800 -172.945 -81.2784 -225.356 -145.287 53.7943 -181.354 -79.9656 1.53749 -314.312 PRESSAVG: 4064800 44.4425 -14.6175 -38.466 -14.6174 -15.7299 -11.9106 -38.4659 -11.9106 -17.3716 GPRESSAVG: 4064800 43.8954 -14.0509 -38.2818 -16.1704 -14.758 -12.8673 -37.7261 -11.0794 -17.4413 TIMING: 4064800 CPU: 12222.9, 0.00298188/step Wall: 12222.9, 0.00298188/step, 0.774626 hours remaining, 209.199219 MB of memory in use. ENERGY: 4064800 768.5016 2099.8098 1953.7362 109.0942 -205695.9145 17544.7930 0.0000 0.0000 34102.9912 -149116.9885 297.8299 -183219.9797 -149020.3630 299.7918 -182.2256 -144.4877 556887.7817 3.7803 3.8987 PRESSURE: 4065000 159.598 -123.725 55.215 -123.725 75.337 118.61 55.2138 118.61 224.61 GPRESSURE: 4065000 265.249 -85.0049 137.796 -140.533 82.5328 116.376 65.7002 153.068 192.85 PRESSAVG: 4065000 52.3514 0.699731 -10.4982 0.699704 -23.1091 -4.44772 -10.4981 -4.44783 -36.2061 GPRESSAVG: 4065000 53.344 -2.12004 -10.2087 1.95842 -24.0633 -2.99761 -10.846 -7.64192 -36.0717 TIMING: 4065000 CPU: 12223.5, 0.002955/step Wall: 12223.5, 0.002955/step, 0.767479 hours remaining, 209.199219 MB of memory in use. ENERGY: 4065000 716.0768 2055.2124 1967.0567 109.6645 -206003.5698 17874.0363 0.0000 0.0000 34372.2187 -148909.3045 300.1811 -183281.5232 -148805.4021 299.8650 153.1817 180.2106 556405.8818 -2.3213 -2.2636 PRESSURE: 4065200 20.4858 -118.243 -39.0746 -118.243 94.8508 158.154 -39.0749 158.153 89.1096 GPRESSURE: 4065200 15.4818 -49.9952 -39.6195 -168.609 145.397 177.492 -86.5962 140.99 138.56 PRESSAVG: 4065200 31.4002 -51.8354 -20.1857 -51.8354 -23.8769 -19.5526 -20.1857 -19.5526 22.4062 GPRESSAVG: 4065200 30.9178 -50.2454 -19.6057 -52.1856 -23.078 -19.651 -22.3694 -17.9781 21.803 TIMING: 4065200 CPU: 12224.1, 0.00295236/step Wall: 12224.1, 0.00295236/step, 0.76663 hours remaining, 209.199219 MB of memory in use. ENERGY: 4065200 735.8655 2126.0336 1924.1891 102.5740 -205814.2068 17709.9193 0.0000 0.0000 34413.0677 -148802.5577 300.5379 -183215.6254 -148710.1489 300.4218 68.1487 99.8130 556318.6706 9.9765 9.8810 PRESSURE: 4065400 -12.0006 -127.529 -184.379 -127.529 -138.029 28.1879 -184.38 28.187 139.517 GPRESSURE: 4065400 20.0425 -163.251 -132.335 -60.8481 -71.4196 114.003 -153.89 -50.3633 145.166 PRESSAVG: 4065400 49.2497 -23.6771 -67.0082 -23.6771 -25.1732 -19.8137 -67.0082 -19.8138 -45.6088 GPRESSAVG: 4065400 48.4267 -22.5754 -69.0379 -23.3178 -25.887 -19.1959 -65.1253 -19.7579 -43.8628 TIMING: 4065400 CPU: 12224.7, 0.00295493/step Wall: 12224.7, 0.00295493/step, 0.767132 hours remaining, 209.199219 MB of memory in use. ENERGY: 4065400 773.2406 2097.4132 1934.1665 126.9537 -206019.2573 17835.8445 0.0000 0.0000 34289.0605 -148962.5782 299.4549 -183251.6387 -148870.0619 300.5831 -3.5043 31.2629 557959.3395 -7.1775 -7.1077 PRESSURE: 4065600 -27.0814 -4.47375 -150.912 -4.47397 186.401 53.6658 -150.91 53.6653 28.6901 GPRESSURE: 4065600 46.4436 55.8503 -56.0294 -78.1103 183.594 -7.72607 -163.731 77.326 64.8909 PRESSAVG: 4065600 18.1609 2.53978 -40.959 2.53989 35.8376 29.1962 -40.9589 29.1961 -50.4612 GPRESSAVG: 4065600 18.9773 1.2942 -39.1529 3.63473 36.175 29.3104 -42.0684 28.6254 -52.5882 TIMING: 4065600 CPU: 12225.3, 0.00298041/step Wall: 12225.3, 0.00298041/step, 0.773583 hours remaining, 209.199219 MB of memory in use. ENERGY: 4065600 748.8065 2064.7658 1939.3164 121.2059 -206199.7938 17812.3236 0.0000 0.0000 34483.3320 -149030.0435 301.1515 -183513.3755 -148941.5817 299.9444 62.6700 98.3095 556175.2002 1.1791 0.8547 PRESSURE: 4065800 -140.586 44.1126 25.9019 44.1129 121.886 38.4054 25.9008 38.4055 67.1881 GPRESSURE: 4065800 -103.726 42.6763 -51.337 52.6277 102.216 62.3336 -13.0388 9.77577 144.531 PRESSAVG: 4065800 -73.5521 -96.7387 -36.5098 -96.7387 113.737 -27.3426 -36.5098 -27.3427 -17.0773 GPRESSAVG: 4065800 -75.0067 -95.8055 -34.7263 -97.8082 113.227 -29.0317 -38.2915 -25.5626 -15.446 TIMING: 4065800 CPU: 12225.9, 0.00296444/step Wall: 12225.9, 0.00296444/step, 0.769272 hours remaining, 209.199219 MB of memory in use. ENERGY: 4065800 711.9594 2089.8788 1922.5035 118.2613 -205775.7272 17614.5620 0.0000 0.0000 34299.5184 -149019.0439 299.5462 -183318.5623 -148922.4713 299.8419 16.1627 47.6741 557450.9635 7.7025 7.5915 PRESSURE: 4066000 119.442 -43.3439 -146.144 -43.3439 -164.481 74.4459 -146.144 74.4438 -106.644 GPRESSURE: 4066000 133.508 -108.651 -163.884 -38.1511 -94.3898 74.8356 -139.098 71.8288 -91.1691 PRESSAVG: 4066000 -4.93018 -59.4692 0.608172 -59.4692 75.9506 -7.43523 0.608099 -7.43535 -50.8918 GPRESSAVG: 4066000 -2.9022 -61.3376 -3.26366 -60.982 76.0842 -4.73587 4.16581 -8.94236 -53.0326 TIMING: 4066000 CPU: 12226.5, 0.00296467/step Wall: 12226.5, 0.00296467/step, 0.769167 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: 4066000 732.4719 2068.2474 1936.9055 116.4632 -205965.6432 17719.7821 0.0000 0.0000 34362.2631 -149029.5101 300.0942 -183391.7731 -148927.1412 300.3081 -50.5610 -17.3503 558785.5918 6.7095 6.7164 PRESSURE: 4066200 -35.9853 -236.218 89.6991 -236.218 16.3867 -24.835 89.6977 -24.8356 52.1509 GPRESSURE: 4066200 33.9546 -232.015 160.778 -178.748 -83.7946 -29.2039 53.0896 -3.16734 164.858 PRESSAVG: 4066200 -4.82372 -6.44504 46.3393 -6.44505 -11.3401 34.4708 46.3395 34.4708 43.2141 GPRESSAVG: 4066200 -5.81961 -5.49685 49.1885 -4.50103 -11.5104 31.2684 43.0075 36.0912 44.559 TIMING: 4066200 CPU: 12227.1, 0.00297118/step Wall: 12227.1, 0.00297118/step, 0.770691 hours remaining, 209.199219 MB of memory in use. ENERGY: 4066200 721.7680 2072.1567 1968.9104 117.3443 -206089.0300 17950.5036 0.0000 0.0000 34271.8206 -148986.5263 299.3043 -183258.3470 -148896.9525 300.4138 10.8508 38.3392 560206.8900 9.0168 9.0763 PRESSURE: 4066400 131.848 61.1566 -23.9521 61.1559 54.4016 1.14596 -23.953 1.14556 -176.176 GPRESSURE: 4066400 145.977 68.1337 87.0797 50.4892 56.1851 -31.5525 36.1225 -21.3461 -98.2933 PRESSAVG: 4066400 -9.85254 36.6823 27.1029 36.6822 24.7229 14.5886 27.1028 14.5886 -44.9582 GPRESSAVG: 4066400 -9.44468 36.2023 27.0479 35.7948 23.4998 17.5136 29.4502 11.1681 -44.0601 TIMING: 4066400 CPU: 12227.7, 0.00297856/step Wall: 12227.7, 0.00297856/step, 0.772439 hours remaining, 209.199219 MB of memory in use. ENERGY: 4066400 727.9509 2089.3754 1921.9550 110.8092 -205917.7455 17782.3879 0.0000 0.0000 34329.3340 -148955.9331 299.8066 -183285.2671 -148854.0639 299.6398 3.3577 34.6230 559074.7050 -10.0293 -10.0017 PRESSURE: 4066600 -150.456 122.955 45.1684 122.955 255.109 -118.594 45.1679 -118.594 -158.911 GPRESSURE: 4066600 -105.589 156.12 38.1801 130.989 289.812 -135.876 37.5984 -114.727 -140.551 PRESSAVG: 4066600 -52.1962 10.9156 23.9457 10.9156 53.1267 12.5767 23.9458 12.5767 1.06569 GPRESSAVG: 4066600 -52.4127 11.8627 22.6336 9.89494 54.0251 8.60232 24.0216 15.2832 0.341815 TIMING: 4066600 CPU: 12228.3, 0.00298753/step Wall: 12228.3, 0.00298753/step, 0.774601 hours remaining, 209.199219 MB of memory in use. ENERGY: 4066600 764.0821 2148.6362 1961.1092 117.3369 -206111.6769 17849.7265 0.0000 0.0000 34362.4038 -148908.3822 300.0954 -183270.7860 -148814.8247 300.2357 -18.0862 14.5574 557920.3967 0.6654 0.6514 PRESSURE: 4066800 94.7384 36.1326 -24.9978 36.1322 -320.446 159.508 -24.9964 159.507 45.2375 GPRESSURE: 4066800 105.525 6.26235 23.3174 46.2606 -265.013 217.755 -48.7072 163.033 79.6382 PRESSAVG: 4066800 -16.0421 5.53382 12.226 5.53386 22.543 -54.9816 12.226 -54.9816 -9.57522 GPRESSAVG: 4066800 -16.1321 3.09422 12.2085 5.48023 22.4548 -52.0496 13.1797 -55.7493 -9.51117 TIMING: 4066800 CPU: 12228.9, 0.003009/step Wall: 12228.9, 0.003009/step, 0.780001 hours remaining, 209.199219 MB of memory in use. ENERGY: 4066800 728.8167 2139.6092 1968.3342 121.2662 -205852.5668 17687.5165 0.0000 0.0000 34365.2647 -148841.7594 300.1204 -183207.0241 -148743.8287 299.8883 -60.1566 -26.6166 558948.2091 -1.0248 -1.0628 PRESSURE: 4067000 129.76 -117.674 33.5904 -117.676 -167.596 -61.9797 33.5914 -61.9805 -179.178 GPRESSURE: 4067000 116.239 -91.5886 0.719743 -62.4554 -62.0335 -69.6947 33.2348 -109.99 -184.007 PRESSAVG: 4067000 -16.399 12.3433 -33.4774 12.3433 -15.8867 11.9768 -33.4773 11.9768 25.2904 GPRESSAVG: 4067000 -17.2851 13.3862 -32.4784 13.8496 -14.5469 10.2776 -34.0352 14.0294 24.3421 TIMING: 4067000 CPU: 12229.5, 0.00301758/step Wall: 12229.5, 0.00301758/step, 0.782057 hours remaining, 209.199219 MB of memory in use. ENERGY: 4067000 740.1659 2062.5522 1930.4575 115.1658 -205607.6708 17584.6220 0.0000 0.0000 34233.1088 -148941.5987 298.9663 -183174.7075 -148848.2696 300.0824 -72.3382 -43.2673 558341.7796 -2.3318 -2.4966 PRESSURE: 4067200 -185.628 -206.804 83.002 -206.804 22.2144 -119.562 83.0036 -119.563 191.047 GPRESSURE: 4067200 -138.446 -146.402 110.767 -217.539 104.309 -144.295 40.5271 -111.317 176.228 PRESSAVG: 4067200 25.2839 -5.07744 34.7982 -5.07743 20.0568 -39.9063 34.7982 -39.9063 -14.7107 GPRESSAVG: 4067200 25.258 -6.70298 34.7795 -2.7391 19.9252 -36.7841 33.3861 -42.1186 -14.674 TIMING: 4067200 CPU: 12230.1, 0.0029954/step Wall: 12230.1, 0.0029954/step, 0.776142 hours remaining, 209.199219 MB of memory in use. ENERGY: 4067200 745.0742 2088.6410 1917.4261 107.1055 -206286.2056 17950.8424 0.0000 0.0000 34478.4655 -148998.6510 301.1090 -183477.1165 -148908.9605 299.7765 9.2112 47.3635 557299.7902 10.2100 10.1697 PRESSURE: 4067400 -300.904 104.781 -88.9951 104.782 -160.222 -28.5721 -88.9965 -28.5719 61.2193 GPRESSURE: 4067400 -278.616 76.4297 -11.1225 167.049 -114.051 -59.5534 -43.7162 -28.5475 83.2729 PRESSAVG: 4067400 -25.8813 36.3395 -41.7652 36.3394 -18.0692 6.24047 -41.7651 6.24051 -2.76659 GPRESSAVG: 4067400 -26.0481 37.5682 -42.142 34.627 -17.8967 3.26086 -40.9606 8.67772 -2.81579 TIMING: 4067400 CPU: 12230.7, 0.00299314/step Wall: 12230.7, 0.00299314/step, 0.775389 hours remaining, 209.199219 MB of memory in use. ENERGY: 4067400 731.7728 2100.7202 1950.0729 118.0627 -205862.2420 17469.9222 0.0000 0.0000 34455.4875 -149036.2037 300.9083 -183491.6912 -148934.9765 300.0392 -133.3020 -103.1311 557769.6503 -15.5724 -15.5869 PRESSURE: 4067600 1.24173 6.93764 120.13 6.93645 116.346 -194.219 120.131 -194.219 -181.3 GPRESSURE: 4067600 0.467213 -30.2493 60.35 28.3874 175.243 -191.268 128.006 -143.708 -133.084 PRESSAVG: 4067600 58.7199 3.03873 -10.5938 3.0386 24.0325 17.0572 -10.5938 17.0572 -40.4672 GPRESSAVG: 4067600 58.578 4.29769 -11.9869 2.70747 23.9493 17.3152 -8.89142 13.8704 -39.5648 TIMING: 4067600 CPU: 12231.3, 0.00296878/step Wall: 12231.3, 0.00296878/step, 0.768913 hours remaining, 209.199219 MB of memory in use. ENERGY: 4067600 763.4479 2109.2418 1947.8262 103.3103 -206405.9786 17916.0085 0.0000 0.0000 34446.0866 -149120.0574 300.8262 -183566.1440 -149021.4860 300.4779 -21.2372 14.2085 556971.8670 14.0951 14.3208 PRESSURE: 4067800 101.205 -137.221 31.4759 -137.22 59.2311 33.9181 31.4752 33.9178 60.5819 GPRESSURE: 4067800 203.806 -162.607 16.1819 -125.244 56.4081 -87.9522 -36.675 59.4004 66.1129 PRESSAVG: 4067800 41.2852 -33.9724 -13.6404 -33.9725 -22.2759 -45.7435 -13.6404 -45.7434 -23.1104 GPRESSAVG: 4067800 42.5091 -34.8401 -12.1614 -33.5465 -23.4857 -45.3897 -12.9477 -43.5996 -23.4149 TIMING: 4067800 CPU: 12231.9, 0.00297999/step Wall: 12231.9, 0.00297999/step, 0.771651 hours remaining, 209.199219 MB of memory in use. ENERGY: 4067800 758.3004 2102.8073 1960.5842 118.5904 -206285.0413 18125.0497 0.0000 0.0000 34172.5946 -149047.1147 298.4378 -183219.7093 -148958.5578 300.4256 73.6726 108.7758 556990.3727 -1.3671 -1.4638 PRESSURE: 4068000 -214.361 249.879 -22.6818 249.879 -5.24157 -49.3764 -22.6826 -49.3779 86.3816 GPRESSURE: 4068000 -156.053 240.175 -0.0157195 250.007 18.3609 6.53942 -12.4723 13.9014 106.067 PRESSAVG: 4068000 -15.5055 3.4447 -17.7922 3.44474 19.8491 44.8495 -17.7922 44.8496 -1.91429 GPRESSAVG: 4068000 -14.8323 3.05362 -19.8595 2.83297 18.7836 46.9631 -18.9137 42.6366 -1.47845 TIMING: 4068000 CPU: 12232.5, 0.00297197/step Wall: 12232.5, 0.00297197/step, 0.769409 hours remaining, 209.402344 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: 4068000 770.5055 2130.6679 1936.5276 130.6546 -206394.2978 17904.3227 0.0000 0.0000 34470.1073 -149051.5121 301.0360 -183521.6194 -148956.2618 299.7260 -44.4069 -10.5417 558246.0076 0.8098 0.8243 PRESSURE: 4068200 -237.109 -281.356 -57.1996 -281.357 -395.277 -58.9545 -57.2002 -58.9547 -180.042 GPRESSURE: 4068200 -143.74 -293.718 -62.3278 -249.92 -391.171 -76.5716 -81.6143 16.5737 -189.805 PRESSAVG: 4068200 41.3358 -47.5101 -11.3922 -47.5102 -30.7478 -15.6356 -11.3923 -15.6356 61.1639 GPRESSAVG: 4068200 39.6622 -48.5107 -9.72579 -44.6994 -28.8599 -17.3552 -12.5949 -13.1425 61.102 TIMING: 4068200 CPU: 12233.1, 0.0029617/step Wall: 12233.1, 0.0029617/step, 0.766587 hours remaining, 209.402344 MB of memory in use. ENERGY: 4068200 757.4688 2102.4340 1953.4934 112.0547 -206127.6904 17583.4331 0.0000 0.0000 34321.6984 -149297.1080 299.7399 -183618.8064 -149199.3607 299.6991 -270.8094 -241.5721 559785.8662 23.9173 23.9681 LDB: ============= START OF LOAD BALANCING ============== 12236.6 LDB: ============== END OF LOAD BALANCING =============== 12236.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12236.6 LDB: ============= START OF LOAD BALANCING ============== 12236.9 LDB: Largest compute 4802 load 0.028226 is 23.9% of average load 0.118164 LDB: Average compute 0.001724 is 1.5% of average load 0.118164 LDB: TIME 12236.9 LOAD: AVG 0.118164 MAX 0.200498 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.895 MB LDB: TIME 12236.9 LOAD: AVG 0.118164 MAX 0.200498 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.098 MB LDB: TIME 12236.9 LOAD: AVG 0.118164 MAX 0.200498 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.098 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12236.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12236.9 PRESSURE: 4068400 -99.9007 -60.1908 7.65979 -60.191 -170.158 -25.2695 7.66065 -25.2689 -373.243 GPRESSURE: 4068400 -61.5076 -85.6606 -9.88746 -23.7275 -188.475 48.5737 -45.3871 -47.925 -292.872 PRESSAVG: 4068400 65.8181 -33.1446 -16.2771 -33.1446 -74.0679 -56.7918 -16.2771 -56.7919 0.355388 GPRESSAVG: 4068400 66.1761 -31.2187 -16.8814 -35.0802 -75.2979 -54.6203 -15.2158 -57.8632 1.36637 TIMING: 4068400 CPU: 12233.7, 0.00302435/step Wall: 12233.7, 0.00302435/step, 0.782635 hours remaining, 209.710938 MB of memory in use. ENERGY: 4068400 752.0150 2081.3655 1935.1542 104.8534 -206332.1827 17693.5061 0.0000 0.0000 34405.7444 -149359.5441 300.4739 -183765.2885 -149256.4034 299.2978 -214.4340 -180.9512 557743.6761 -2.6315 -2.5851 PRESSURE: 4068600 104.382 -79.8376 -17.29 -79.8375 158.166 -7.63149 -17.2899 -7.63078 97.7982 GPRESSURE: 4068600 105.828 -47.8024 23.9443 -82.9367 169.33 30.5385 -72.3788 -4.83121 181.154 PRESSAVG: 4068600 43.6266 15.0192 29.1764 15.019 -21.4871 -9.16677 29.1764 -9.16657 -6.42764 GPRESSAVG: 4068600 43.6338 15.2348 31.1537 14.3079 -20.5145 -12.4045 27.8834 -8.95354 -7.34686 TIMING: 4068600 CPU: 12234.2, 0.00294179/step Wall: 12234.2, 0.00294179/step, 0.761106 hours remaining, 209.914062 MB of memory in use. ENERGY: 4068600 735.9461 2088.0806 1941.4624 105.2455 -206690.9196 18056.1020 0.0000 0.0000 34408.3540 -149355.7290 300.4967 -183764.0829 -149259.2302 299.2295 120.1151 152.1042 557753.8887 5.2373 5.2575 PRESSURE: 4068800 -82.3528 22.5963 -214.326 22.5969 -197.112 -60.7279 -214.326 -60.7276 -128.643 GPRESSURE: 4068800 -35.7602 120.886 -193.209 -73.0061 -158.479 -29.6555 -244.683 -100.51 -118.144 PRESSAVG: 4068800 -4.4736 29.6195 -23.8451 29.6195 -18.0169 10.8311 -23.8451 10.8311 -36.3751 GPRESSAVG: 4068800 -5.00165 29.5101 -24.8814 30.9895 -18.5959 13.6604 -24.942 11.465 -35.2622 TIMING: 4068800 CPU: 12234.8, 0.00295469/step Wall: 12234.8, 0.00295469/step, 0.764281 hours remaining, 209.914062 MB of memory in use. ENERGY: 4068800 703.1017 2074.1238 1945.4389 127.4554 -205998.6977 17503.9348 0.0000 0.0000 34216.7789 -149427.8641 298.8236 -183644.6430 -149331.9137 298.1758 -136.0358 -104.1279 557897.0221 -19.6219 -19.6199 PRESSURE: 4069000 10.3396 1.84657 -51.146 1.8477 33.3408 9.77566 -51.146 9.7767 155.983 GPRESSURE: 4069000 4.93688 14.7979 19.7926 -29.5305 63.1593 22.5172 -97.3041 16.099 221.52 PRESSAVG: 4069000 17.4712 12.6032 -9.48587 12.6032 13.8376 8.37684 -9.48595 8.37679 6.84238 GPRESSAVG: 4069000 19.1797 13.1321 -9.59546 11.793 12.5327 6.72991 -9.44382 8.34932 7.08269 TIMING: 4069000 CPU: 12235.4, 0.00294016/step Wall: 12235.4, 0.00294016/step, 0.760359 hours remaining, 209.914062 MB of memory in use. ENERGY: 4069000 760.6560 2056.4549 1944.7817 125.8896 -206949.8702 18128.3462 0.0000 0.0000 34350.5151 -149583.2268 299.9916 -183933.7419 -149489.0231 298.5651 66.5543 96.5388 556515.7878 12.7171 12.9317 PRESSURE: 4069200 -149.438 61.6467 129.511 61.6466 -282.824 -9.44212 129.512 -9.4426 12.7825 GPRESSURE: 4069200 -129.344 128.829 158.182 2.6471 -249.201 -15.8407 182.461 -57.765 59.066 PRESSAVG: 4069200 37.9841 -34.9344 23.782 -34.9345 -2.60477 32.0119 23.782 32.012 -11.2646 GPRESSAVG: 4069200 36.8573 -36.19 22.3333 -32.9871 -0.852539 31.9694 24.6519 31.4091 -11.5478 TIMING: 4069200 CPU: 12236, 0.00293759/step Wall: 12236, 0.00293759/step, 0.75953 hours remaining, 209.914062 MB of memory in use. ENERGY: 4069200 788.1305 2122.8368 1924.3878 110.6551 -206191.5786 17707.3359 0.0000 0.0000 34046.1763 -149492.0562 297.3337 -183538.2325 -149399.3727 298.0690 -139.8267 -106.4932 559944.3807 8.0382 8.1523 PRESSURE: 4069400 -192.506 -75.9872 -68.1032 -75.9883 -136.087 80.6625 -68.1029 80.6607 -53.5184 GPRESSURE: 4069400 -152.338 -95.3845 -36.519 33.3932 -97.3129 29.4788 -41.7018 -9.36688 -23.5914 PRESSAVG: 4069400 -25.5714 26.0305 51.8035 26.0305 -3.99866 -40.1297 51.8036 -40.1298 1.06078 GPRESSAVG: 4069400 -25.4344 25.9091 52.53 25.3462 -3.86113 -40.4253 50.2364 -40.958 0.918553 TIMING: 4069400 CPU: 12236.6, 0.00295056/step Wall: 12236.6, 0.00295056/step, 0.76272 hours remaining, 209.972656 MB of memory in use. ENERGY: 4069400 730.9892 2112.5083 1943.7108 109.0633 -206382.5807 17806.9578 0.0000 0.0000 34073.5525 -149605.7987 297.5728 -183679.3512 -149510.6137 298.1557 -127.3707 -91.0806 557931.7262 -9.5031 -9.4590 PRESSURE: 4069600 58.1303 38.2381 -9.38596 38.238 10.2941 82.5757 -9.38532 82.5761 -70.9092 GPRESSURE: 4069600 88.0794 65.1056 73.9803 -15.5344 59.3306 55.2532 -8.35636 -1.64446 -45.6497 PRESSAVG: 4069600 43.5258 17.6486 -57.0425 17.6486 -24.4172 9.91201 -57.0424 9.91197 -34.6356 GPRESSAVG: 4069600 42.9159 19.0783 -56.0719 15.1424 -24.8613 9.71056 -55.5509 12.3707 -34.0843 TIMING: 4069600 CPU: 12237.2, 0.00297728/step Wall: 12237.2, 0.00297728/step, 0.769462 hours remaining, 209.972656 MB of memory in use. ENERGY: 4069600 763.4487 2120.3798 1911.1506 119.5530 -206419.8991 17712.9654 0.0000 0.0000 34195.2706 -149597.1309 298.6358 -183792.4015 -149507.3156 298.1146 -0.8283 33.9201 556331.6260 -5.1757 -5.3432 PRESSURE: 4069800 -86.6782 26.3702 13.9368 26.3705 21.1711 153.526 13.9373 153.525 196.397 GPRESSURE: 4069800 12.9393 -24.5233 36.3828 -25.6341 46.7267 99.6446 9.10874 181.318 170.476 PRESSAVG: 4069800 31.3025 -4.5175 -22.2428 -4.51755 18.1961 47.574 -22.2428 47.5739 -47.0136 GPRESSAVG: 4069800 32.291 -5.67647 -24.7265 -0.938561 17.5406 46.9418 -21.2629 45.6092 -47.4662 TIMING: 4069800 CPU: 12237.8, 0.00298813/step Wall: 12237.8, 0.00298813/step, 0.7721 hours remaining, 210.109375 MB of memory in use. ENERGY: 4069800 755.3952 2081.6871 1924.8478 106.0517 -206681.8759 18044.3000 0.0000 0.0000 34101.0919 -149668.5021 297.8133 -183769.5940 -149572.1412 298.3863 43.6298 76.7139 557618.3344 0.8283 0.7884 PRESSURE: 4070000 134.958 -193.275 -171.452 -193.274 90.8824 -39.6967 -171.451 -39.6979 -123.304 GPRESSURE: 4070000 166.182 -106.991 -121.001 -195.362 121.017 -4.11279 -180.4 -54.7869 -79.8686 PRESSAVG: 4070000 52.0781 -1.70639 1.92235 -1.70633 18.3767 7.00212 1.92243 7.00205 -71.0066 GPRESSAVG: 4070000 50.0208 0.56304 3.27649 -3.92123 18.2859 6.7075 0.454728 8.02181 -69.2131 TIMING: 4070000 CPU: 12238.4, 0.00296987/step Wall: 12238.4, 0.00296987/step, 0.767216 hours remaining, 210.109375 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: 4070000 734.4500 2108.3773 1943.3227 98.8570 -206449.4802 17940.3321 0.0000 0.0000 33872.5006 -149751.6405 295.8170 -183624.1411 -149656.1928 297.2593 34.1785 69.1100 558198.1920 -0.1840 -0.3021 PRESSURE: 4070200 -152.027 -87.0772 -50.0841 -87.0777 -331.758 40.8502 -50.0843 40.8498 -171.791 GPRESSURE: 4070200 -136.018 -73.9351 -21.5963 -77.8306 -278.671 -23.8014 -25.2188 -8.68525 -160.837 PRESSAVG: 4070200 61.8494 -6.01477 -37.8937 -6.0148 -1.86282 34.2904 -37.8938 34.2904 -79.5829 GPRESSAVG: 4070200 63.2757 -7.92842 -38.5604 -6.30067 -0.53223 35.7115 -38.2686 31.6338 -82.2168 TIMING: 4070200 CPU: 12239, 0.00298219/step Wall: 12239, 0.0029822/step, 0.770235 hours remaining, 210.109375 MB of memory in use. ENERGY: 4070200 740.7603 2054.3142 1940.0431 110.0395 -206675.8296 17866.6237 0.0000 0.0000 34258.4295 -149705.6194 299.1874 -183964.0489 -149612.0012 297.7568 -218.5255 -191.8419 558313.2334 -6.5321 -6.4911 PRESSURE: 4070400 35.3856 -79.6842 -170.533 -79.6833 40.157 -23.2185 -170.533 -23.2185 319.876 GPRESSURE: 4070400 58.3092 -65.8542 -102.031 10.7765 112.858 7.93649 -139.829 -8.51589 311.347 PRESSAVG: 4070400 63.3147 -47.344 -50.8536 -47.344 29.8614 -25.8384 -50.8537 -25.8384 -47.5618 GPRESSAVG: 4070400 63.0489 -46.9467 -50.8368 -45.644 29.1137 -27.7499 -50.3178 -22.6247 -46.8213 TIMING: 4070400 CPU: 12239.6, 0.00296933/step Wall: 12239.6, 0.00296933/step, 0.766746 hours remaining, 210.109375 MB of memory in use. ENERGY: 4070400 737.3743 2091.7629 1955.0611 112.2700 -206906.4156 18125.8616 0.0000 0.0000 34217.2491 -149666.8366 298.8277 -183884.0857 -149574.5019 297.9625 131.8062 160.8379 556086.9661 15.2048 15.1138 PRESSURE: 4070600 114.222 -3.27569 74.6581 -3.27692 -74.9294 102.835 74.6577 102.834 -30.2764 GPRESSURE: 4070600 200.011 -5.17674 131.782 20.4397 -28.099 135.589 0.0934254 89.7773 -63.9074 PRESSAVG: 4070600 -2.21635 -15.647 23.4179 -15.6471 81.9018 -21.6098 23.418 -21.6097 -89.8939 GPRESSAVG: 4070600 -1.69249 -17.8301 24.0128 -15.9383 81.6273 -20.8624 21.9208 -24.7703 -89.8941 TIMING: 4070600 CPU: 12240.2, 0.00296144/step Wall: 12240.2, 0.00296144/step, 0.764545 hours remaining, 210.109375 MB of memory in use. ENERGY: 4070600 739.0534 2107.0552 1915.5008 110.0839 -206104.9852 17679.5460 0.0000 0.0000 33984.7297 -149569.0161 296.7971 -183553.7458 -149479.3057 298.0965 3.0054 36.0014 556640.4052 -3.4028 -3.3198 PRESSURE: 4070800 35.8107 -155.389 -15.9328 -155.389 -173.434 -44.2819 -15.9325 -44.2822 -24.1884 GPRESSURE: 4070800 54.6883 -131.722 -75.2018 -150.796 -92.1941 -63.3723 -17.2203 -3.63927 -15.2151 PRESSAVG: 4070800 -2.49577 -8.16065 -1.72315 -8.1606 67.674 -16.8795 -1.72309 -16.8795 -43.4309 GPRESSAVG: 4070800 -2.81832 -3.86608 -3.69561 -9.78827 66.8723 -14.2815 0.395019 -14.0604 -42.7983 TIMING: 4070800 CPU: 12240.8, 0.00294104/step Wall: 12240.8, 0.00294104/step, 0.759116 hours remaining, 210.109375 MB of memory in use. ENERGY: 4070800 784.2644 2095.0642 1949.4976 107.1561 -206353.1927 17733.8692 0.0000 0.0000 34253.1217 -149430.2194 299.1410 -183683.3411 -149332.1225 298.2781 -53.9372 -17.5736 556859.6767 7.2491 7.0852 PRESSURE: 4071000 184.384 -20.2876 231.037 -20.288 129.485 -25.2778 231.037 -25.2778 -93.1045 GPRESSURE: 4071000 165.177 -104.876 241.773 1.09668 223.56 -46.8321 230.267 52.2546 -86.6084 PRESSAVG: 4071000 -6.02252 -86.8424 26.2888 -86.8424 60.037 27.4466 26.2888 27.4465 -67.0982 GPRESSAVG: 4071000 -5.79099 -88.4599 27.4038 -85.4064 59.3106 25.0356 25.8614 27.5598 -66.7516 TIMING: 4071000 CPU: 12241.4, 0.00298055/step Wall: 12241.4, 0.00298055/step, 0.769148 hours remaining, 210.109375 MB of memory in use. ENERGY: 4071000 715.8342 2069.3599 1913.0885 128.0364 -206360.2215 17765.0294 0.0000 0.0000 34225.2525 -149543.6205 298.8976 -183768.8730 -149440.4652 298.7523 73.5882 100.7096 556811.3328 -4.3612 -4.4107 PRESSURE: 4071200 -21.2523 -116.39 -134.458 -116.389 -65.8404 -65.2071 -134.456 -65.2067 -246.219 GPRESSURE: 4071200 -19.4501 -77.8385 -203.906 -179.328 -35.2226 -60.8977 -6.45284 -81.4565 -186.725 PRESSAVG: 4071200 5.62997 -30.1443 5.90164 -30.1443 23.0756 8.17441 5.90157 8.17453 -61.944 GPRESSAVG: 4071200 6.3957 -29.265 6.82783 -30.6822 22.4139 8.19858 5.88073 7.26053 -62.1747 TIMING: 4071200 CPU: 12242, 0.00297554/step Wall: 12242, 0.00297554/step, 0.76769 hours remaining, 210.109375 MB of memory in use. ENERGY: 4071200 742.5043 2151.5299 1928.6295 113.6732 -206355.5913 17764.3272 0.0000 0.0000 34221.9820 -149432.9452 298.8691 -183654.9271 -149339.9634 299.0708 -111.1038 -80.4660 558248.8807 -11.0795 -11.1217 PRESSURE: 4071400 -77.4944 213.73 -168.183 213.729 -217.921 -148.316 -168.183 -148.315 278.054 GPRESSURE: 4071400 -2.76862 284.797 -229.048 278.333 -159.16 -168.823 -117.584 -155.691 252.399 PRESSAVG: 4071400 -56.8312 12.6581 -0.326601 12.6582 27.4644 9.9283 -0.326552 9.92826 33.3818 GPRESSAVG: 4071400 -57.6686 11.6143 -1.62888 13.3385 28.2756 9.43481 0.287576 9.14006 33.2564 TIMING: 4071400 CPU: 12242.5, 0.00296987/step Wall: 12242.5, 0.00296987/step, 0.766062 hours remaining, 210.109375 MB of memory in use. ENERGY: 4071400 787.2844 2112.0947 1966.8665 123.1530 -206384.2676 17849.3711 0.0000 0.0000 34162.3522 -149383.1457 298.3483 -183545.4979 -149284.9141 298.8222 -5.7872 30.1569 555695.3772 1.3383 1.2878 PRESSURE: 4071600 -248.303 -43.2657 -6.08676 -43.2666 90.0648 -121.488 -6.08664 -121.488 9.75098 GPRESSURE: 4071600 -205.692 -38.4581 -70.6119 -19.6019 110.18 -84.4287 32.0527 -118.693 35.4679 PRESSAVG: 4071600 1.8612 15.6897 -0.0360462 15.6897 -17.7249 -8.0689 -0.0361307 -8.06895 8.10881 GPRESSAVG: 4071600 0.802599 14.221 2.91582 15.9884 -17.1241 -6.43919 0.557767 -6.78963 8.40679 TIMING: 4071600 CPU: 12243.1, 0.00295948/step Wall: 12243.1, 0.00295948/step, 0.763216 hours remaining, 210.109375 MB of memory in use. ENERGY: 4071600 763.0822 2061.0272 1955.5957 106.6000 -206491.5030 17731.2693 0.0000 0.0000 34334.9728 -149538.9559 299.8559 -183873.9287 -149437.0213 298.6533 -49.4959 -20.0147 555904.8874 -2.5850 -2.6382 PRESSURE: 4071800 -188.026 49.1017 -28.4451 49.1024 -351.962 27.2189 -28.4441 27.2197 -191.933 GPRESSURE: 4071800 -176.887 9.41416 -64.1911 142.187 -288.615 113.297 -56.2428 -19.648 -142.721 PRESSAVG: 4071800 -1.493 -40.4325 -29.0473 -40.4325 -8.63143 32.2854 -29.0473 32.2853 -6.47937 GPRESSAVG: 4071800 -0.971112 -40.4943 -31.6537 -41.086 -7.64035 31.6483 -31.5746 32.4135 -7.47497 TIMING: 4071800 CPU: 12243.7, 0.00296445/step Wall: 12243.7, 0.00296445/step, 0.764335 hours remaining, 210.109375 MB of memory in use. ENERGY: 4071800 717.6642 2122.3272 1909.5140 105.6672 -205831.0419 17491.3950 0.0000 0.0000 34002.9895 -149481.4848 296.9566 -183484.4743 -149381.6470 297.8764 -243.9737 -202.7412 558203.8145 -5.5346 -5.3621 PRESSURE: 4072000 215.968 59.2761 15.6649 59.2764 -45.5123 -21.2001 15.6641 -21.1982 -8.28629 GPRESSURE: 4072000 231.233 119.033 4.10874 22.6418 -4.8198 -23.0832 17.0294 27.5167 25.9507 PRESSAVG: 4072000 -31.9327 33.1442 -41.4513 33.1443 24.9344 -5.10244 -41.4512 -5.10249 14.2198 GPRESSAVG: 4072000 -31.2637 34.0198 -40.7601 31.9235 23.7693 -4.54317 -39.8499 -7.32764 14.8619 TIMING: 4072000 CPU: 12244.3, 0.00297124/step Wall: 12244.3, 0.00297123/step, 0.765918 hours remaining, 210.109375 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: 4072000 748.5380 2081.9843 1925.6891 113.7632 -206395.5073 17984.8455 0.0000 0.0000 33961.9583 -149578.7290 296.5982 -183540.6872 -149488.3163 298.4053 54.0564 84.1214 556438.3173 2.4072 2.4558 PRESSURE: 4072200 -166.939 -78.4525 -10.0579 -78.4502 -34.6107 18.0157 -10.0578 18.0161 -209.25 GPRESSURE: 4072200 -155.847 -33.6207 -29.4075 -86.3016 3.97909 69.9519 28.3295 41.5441 -147.387 PRESSAVG: 4072200 22.9068 19.634 -36.4911 19.634 42.0745 -15.7031 -36.491 -15.7031 -54.4006 GPRESSAVG: 4072200 23.2458 19.3322 -37.4335 20.7616 42.009 -16.1739 -35.7876 -13.9859 -54.9884 TIMING: 4072200 CPU: 12244.9, 0.00296054/step Wall: 12244.9, 0.00296054/step, 0.762996 hours remaining, 210.109375 MB of memory in use. ENERGY: 4072200 743.1271 2093.0320 1939.2686 120.7018 -206386.4768 17685.7783 0.0000 0.0000 34378.2979 -149426.2711 300.2342 -183804.5691 -149334.3746 298.3566 -136.9330 -99.7516 556099.7153 3.5269 3.4221 LDB: ============= START OF LOAD BALANCING ============== 12248.4 LDB: ============== END OF LOAD BALANCING =============== 12248.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12248.4 LDB: ============= START OF LOAD BALANCING ============== 12248.7 LDB: Largest compute 4773 load 0.027352 is 23.1% of average load 0.118240 LDB: Average compute 0.001716 is 1.5% of average load 0.118240 LDB: TIME 12248.7 LOAD: AVG 0.11824 MAX 0.201782 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.918 MB LDB: TIME 12248.7 LOAD: AVG 0.11824 MAX 0.201782 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.988 MB LDB: TIME 12248.7 LOAD: AVG 0.11824 MAX 0.201782 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.988 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12248.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12248.7 PRESSURE: 4072400 -184.208 -104.195 -40.5191 -104.195 -41.3034 13.0499 -40.5183 13.0503 -252.05 GPRESSURE: 4072400 -168.49 -108.273 -60.6831 -52.311 26.9762 4.45629 -57.8054 32.3855 -244.224 PRESSAVG: 4072400 -38.7398 -19.5477 -72.5827 -19.5477 14.0075 -27.4547 -72.5828 -27.4546 34.0141 GPRESSAVG: 4072400 -40.0241 -20.7517 -71.2804 -18.5569 13.5993 -26.9377 -73.3958 -26.613 35.7185 TIMING: 4072400 CPU: 12245.5, 0.00303976/step Wall: 12245.5, 0.00303976/step, 0.783246 hours remaining, 209.597656 MB of memory in use. ENERGY: 4072400 729.3605 2106.0947 1997.3869 118.4778 -206077.6919 17577.5724 0.0000 0.0000 34143.9351 -149404.8645 298.1875 -183548.7996 -149304.3095 298.5254 -159.1872 -128.5791 557872.9867 3.0939 3.0979 PRESSURE: 4072600 -106.007 187.506 3.91533 187.506 112.77 -17.5492 3.91525 -17.5511 104.88 GPRESSURE: 4072600 -90.8049 154.721 43.5356 152.875 164.481 -56.2291 -7.29556 -90.6706 140.823 PRESSAVG: 4072600 -39.9692 17.7144 -38.264 17.7143 36.7778 -32.2843 -38.264 -32.2843 12.9757 GPRESSAVG: 4072600 -38.9077 17.847 -39.1138 17.1909 36.3824 -33.2503 -37.2913 -32.1836 12.1317 TIMING: 4072600 CPU: 12246.1, 0.00296126/step Wall: 12246.1, 0.00296126/step, 0.762854 hours remaining, 209.800781 MB of memory in use. ENERGY: 4072600 769.9080 2031.8290 1951.8865 101.6148 -206510.3961 18029.2317 0.0000 0.0000 34339.7906 -149286.1356 299.8979 -183625.9262 -149184.0818 298.5136 37.2146 71.4997 557170.5236 3.2614 3.2021 PRESSURE: 4072800 61.073 29.0015 97.1374 29.0014 -172.781 -133.463 97.1389 -133.463 -2.26115 GPRESSURE: 4072800 72.3121 62.6578 -2.61086 4.90121 -103.341 -130.129 99.2527 -185.09 22.6515 PRESSAVG: 4072800 16.8596 29.9298 -6.36861 29.9298 -56.1054 -12.0618 -6.36875 -12.062 30.264 GPRESSAVG: 4072800 16.4846 30.9688 -5.98979 29.4746 -55.6148 -11.285 -7.40986 -13.7765 29.8084 TIMING: 4072800 CPU: 12246.7, 0.00295291/step Wall: 12246.7, 0.00295291/step, 0.760537 hours remaining, 209.800781 MB of memory in use. ENERGY: 4072800 768.5562 2099.1817 1966.4133 110.6102 -206287.4299 17793.8230 0.0000 0.0000 34251.6856 -149297.1599 299.1285 -183548.8455 -149195.4757 298.3604 -37.9896 -2.7924 556507.0568 -2.9939 -3.1073 PRESSURE: 4073000 25.8453 -0.562838 -33.3103 -0.5634 -80.9668 10.8323 -33.3106 10.8348 -204.604 GPRESSURE: 4073000 64.6783 78.0855 -102.231 -117.288 -56.2577 45.074 57.4109 -54.2969 -170.23 PRESSAVG: 4073000 31.388 -15.6211 16.2488 -15.6211 -20.0139 -30.9587 16.2488 -30.9586 -1.39874 GPRESSAVG: 4073000 31.6223 -16.0794 15.6839 -14.2616 -19.8397 -32.1657 15.8954 -30.0717 -1.68931 TIMING: 4073000 CPU: 12247.3, 0.00295986/step Wall: 12247.3, 0.00295986/step, 0.762163 hours remaining, 209.800781 MB of memory in use. ENERGY: 4073000 749.5153 2165.6229 1949.0095 105.1623 -206274.0768 17843.7123 0.0000 0.0000 34198.6037 -149262.4508 298.6649 -183461.0545 -149162.6778 298.8993 -86.5752 -53.9365 557739.1541 3.3251 3.3644 PRESSURE: 4073200 -125.27 -130.617 97.6631 -130.617 -491.53 -10.7125 97.663 -10.7119 -18.3606 GPRESSURE: 4073200 -171.786 -159.367 35.1967 -117.412 -370.327 -39.2764 156.597 -79.2226 1.47092 PRESSAVG: 4073200 -27.7325 23.6222 -15.0383 23.6222 82.9777 -25.088 -15.0383 -25.088 -21.9184 GPRESSAVG: 4073200 -28.8296 23.2294 -15.4311 23.5888 83.2108 -24.7035 -14.8123 -24.3533 -21.3342 TIMING: 4073200 CPU: 12247.9, 0.00293381/step Wall: 12247.9, 0.00293381/step, 0.755293 hours remaining, 209.800781 MB of memory in use. ENERGY: 4073200 774.9136 2064.2191 1945.2579 111.0752 -206159.7673 17517.4024 0.0000 0.0000 34409.3685 -149337.5306 300.5056 -183746.8991 -149241.7354 299.8558 -211.7202 -180.2139 557820.5606 11.1090 11.0157 PRESSURE: 4073400 -58.4178 -73.4671 -110.92 -73.4677 61.2459 132.589 -110.919 132.588 -26.1492 GPRESSURE: 4073400 -26.3669 -154.824 -166.308 -15.6036 109.93 75.9852 -123.27 169.401 -19.4604 PRESSAVG: 4073400 -26.9659 -21.155 7.44137 -21.1551 51.8394 -27.5909 7.44138 -27.591 -56.3388 GPRESSAVG: 4073400 -26.805 -21.7944 7.87596 -21.2734 51.337 -27.3151 7.18315 -27.9404 -56.2317 TIMING: 4073400 CPU: 12248.5, 0.00292411/step Wall: 12248.5, 0.00292411/step, 0.752634 hours remaining, 209.800781 MB of memory in use. ENERGY: 4073400 753.4039 2122.1254 1940.4353 110.8171 -206657.4816 18100.6444 0.0000 0.0000 34359.1101 -149270.9453 300.0667 -183630.0554 -149172.4581 299.2256 -7.7737 21.3676 557285.7085 -10.4884 -10.5666 PRESSURE: 4073600 227.021 -27.3147 -19.0145 -27.3157 134.424 148.727 -19.0155 148.728 -116.822 GPRESSURE: 4073600 245.376 -84.95 37.4056 -106.177 160.452 99.8918 -56.8428 171.856 -59.5207 PRESSAVG: 4073600 -67.1944 59.7502 -62.4703 59.7502 120.085 62.5928 -62.4704 62.5927 -39.4853 GPRESSAVG: 4073600 -66.0323 60.3908 -60.9446 59.4555 120.153 63.5759 -62.1412 63.6364 -41.2336 TIMING: 4073600 CPU: 12249.1, 0.00294934/step Wall: 12249.1, 0.00294934/step, 0.758963 hours remaining, 209.800781 MB of memory in use. ENERGY: 4073600 743.1673 2172.2384 1938.2191 103.4301 -206401.8610 17945.4719 0.0000 0.0000 34291.2087 -149208.1255 299.4737 -183499.3342 -149109.6112 299.9294 81.5408 115.4357 556704.6779 4.4685 4.2957 PRESSURE: 4073800 0.589202 -105.685 67.0372 -105.684 -11.7168 151.826 67.0368 151.825 -30.4898 GPRESSURE: 4073800 74.2024 -60.852 100.812 -63.9733 24.8078 242.186 54.0822 185.795 -58.3216 PRESSAVG: 4073800 -9.52346 26.3386 -8.56817 26.3386 89.3946 58.1749 -8.56815 58.1749 -10.4497 GPRESSAVG: 4073800 -10.8487 26.4643 -11.4646 26.4896 89.8578 57.8809 -7.411 57.4797 -9.76592 TIMING: 4073800 CPU: 12249.7, 0.00296228/step Wall: 12249.7, 0.00296228/step, 0.762129 hours remaining, 209.800781 MB of memory in use. ENERGY: 4073800 694.9536 2094.5692 1960.3680 104.9605 -206019.1339 17556.7176 0.0000 0.0000 34449.9895 -149157.5756 300.8603 -183607.5651 -149052.5101 299.9850 -13.8725 13.5629 556944.1620 23.1405 23.0811 PRESSURE: 4074000 108.485 -45.9863 67.4362 -45.9863 -47.5881 -131.146 67.4354 -131.146 -201.379 GPRESSURE: 4074000 103.667 -78.7663 79.3966 -33.0136 -4.07002 -128.288 6.01403 -134.926 -144.33 PRESSAVG: 4074000 5.6932 10.4269 15.8602 10.4269 -3.42572 -6.13312 15.8602 -6.13321 -7.9395 GPRESSAVG: 4074000 6.28065 10.0586 17.7854 10.5655 -3.54136 -6.47383 15.2817 -7.43248 -7.908 TIMING: 4074000 CPU: 12250.2, 0.00296065/step Wall: 12250.2, 0.00296065/step, 0.761546 hours remaining, 209.800781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4074000 767.5913 2131.7874 1950.1966 105.7660 -206310.2933 17787.2635 0.0000 0.0000 34251.0434 -149316.6452 299.1229 -183567.6886 -149220.5030 299.4836 -46.8273 -14.9110 556392.5412 -1.8907 -1.7229 PRESSURE: 4074200 52.3632 -5.79379 -91.6892 -5.79256 84.6446 -20.2234 -91.6899 -20.2243 98.2884 GPRESSURE: 4074200 41.6608 27.614 -175.893 -21.7585 117.963 -24.6628 -82.0032 101.294 171.508 PRESSAVG: 4074200 18.6525 30.6843 -11.3179 30.6842 -13.5284 -13.9982 -11.318 -13.9982 33.8461 GPRESSAVG: 4074200 18.1527 31.8998 -12.0332 29.245 -13.7348 -14.1941 -10.293 -12.4959 34.92 TIMING: 4074200 CPU: 12250.8, 0.00299815/step Wall: 12250.8, 0.00299815/step, 0.771023 hours remaining, 209.800781 MB of memory in use. ENERGY: 4074200 708.8196 2134.9954 1935.0399 119.6333 -206643.2624 18140.5156 0.0000 0.0000 34337.3852 -149266.8732 299.8769 -183604.2584 -149179.4229 298.5884 78.4321 110.3773 557290.3501 12.9901 13.1126 PRESSURE: 4074400 -87.096 64.4889 -50.3953 64.4884 -196.654 -15.2057 -50.3942 -15.2052 -299.466 GPRESSURE: 4074400 -70.7313 108.149 2.65492 10.8123 -166.967 -54.6628 -77.2988 -10.0286 -243.884 PRESSAVG: 4074400 -64.445 -21.5573 27.0667 -21.5574 53.4455 -1.12568 27.0667 -1.12563 6.62433 GPRESSAVG: 4074400 -62.4173 -22.1937 25.6362 -19.6084 51.619 0.478137 27.2853 -1.66416 5.74255 TIMING: 4074400 CPU: 12251.4, 0.0029695/step Wall: 12251.4, 0.0029695/step, 0.763491 hours remaining, 209.800781 MB of memory in use. ENERGY: 4074400 710.7948 2102.2850 1939.4182 105.1721 -205774.8039 17420.1080 0.0000 0.0000 34238.1977 -149258.8281 299.0107 -183497.0258 -149155.1461 298.9546 -194.4054 -160.5273 559659.7059 -1.4584 -1.6852 PRESSURE: 4074600 -521.831 -6.23325 39.6831 -6.23333 -97.1686 19.8009 39.6838 19.8016 -280.837 GPRESSURE: 4074600 -492.321 69.159 17.5917 20.9866 -41.3861 108.054 83.2231 -18.7709 -264.584 PRESSAVG: 4074600 8.04699 26.4711 -13.9632 26.4711 32.7281 -33.5101 -13.9632 -33.5102 -31.5461 GPRESSAVG: 4074600 6.74577 27.4791 -12.5297 27.9869 35.5396 -33.0264 -15.1493 -34.3886 -33.5179 TIMING: 4074600 CPU: 12252, 0.00296156/step Wall: 12252, 0.00296156/step, 0.761285 hours remaining, 209.800781 MB of memory in use. ENERGY: 4074600 758.4211 2139.4069 1978.2394 108.2935 -205955.9780 17310.2324 0.0000 0.0000 34075.8276 -149585.5571 297.5927 -183661.3847 -149486.4350 298.3822 -299.9455 -266.0971 557637.7187 3.0763 2.9225 PRESSURE: 4074800 -105.408 -23.4284 -89.4918 -23.4274 65.0297 -9.93775 -89.4916 -9.93842 -150.436 GPRESSURE: 4074800 -100.866 -7.40181 -92.8455 -43.7381 160.121 62.648 -109.291 -34.5069 -150.455 PRESSAVG: 4074800 -17.9474 -18.5769 -11.3499 -18.5768 25.8965 -2.55002 -11.3499 -2.55005 -27.3963 GPRESSAVG: 4074800 -16.9566 -19.4108 -11.33 -20.8612 24.6346 -4.18572 -12.5193 -0.889265 -26.6764 TIMING: 4074800 CPU: 12252.6, 0.00295273/step Wall: 12252.6, 0.00295273/step, 0.758852 hours remaining, 209.800781 MB of memory in use. ENERGY: 4074800 764.0906 2068.6894 1952.2293 111.3339 -206650.8977 17812.3655 0.0000 0.0000 34324.7022 -149617.4868 299.7662 -183942.1891 -149528.5207 298.0876 -63.6046 -30.4002 558044.5541 -6.4824 -6.3328 PRESSURE: 4075000 -249.958 94.1083 -70.6205 94.1089 8.41064 12.8654 -70.6209 12.866 -54.5366 GPRESSURE: 4075000 -188.448 81.7711 -63.8409 101.948 35.1806 -49.0815 -72.2776 77.7267 -45.9744 PRESSAVG: 4075000 35.7541 16.8488 18.7349 16.8488 -49.553 17.265 18.7348 17.265 -15.4045 GPRESSAVG: 4075000 34.8491 14.5682 18.8714 19.5402 -49.3848 20.4393 21.6114 15.5764 -14.7229 TIMING: 4075000 CPU: 12253.2, 0.00294711/step Wall: 12253.2, 0.00294711/step, 0.757243 hours remaining, 209.800781 MB of memory in use. ENERGY: 4075000 708.2077 2092.6774 1945.4606 105.0436 -205882.9529 17645.8478 0.0000 0.0000 34035.8621 -149349.8538 297.2436 -183385.7159 -149253.4871 298.2328 -98.6945 -66.4140 559819.4460 -9.7344 -9.7529 PRESSURE: 4075200 -14.1257 -83.176 -14.7909 -83.1761 -14.722 169.463 -14.7929 169.462 -170.41 GPRESSURE: 4075200 -48.526 -54.4034 -26.0793 -59.7339 38.4653 79.0368 -22.1997 179.401 -105.745 PRESSAVG: 4075200 -32.1344 56.1268 -21.2819 56.1268 25.7837 58.1681 -21.2819 58.1681 -16.4747 GPRESSAVG: 4075200 -32.0386 60.2406 -20.6747 51.7841 25.5145 55.6089 -23.1596 60.9409 -16.0558 TIMING: 4075200 CPU: 12253.8, 0.00297111/step Wall: 12253.8, 0.00297111/step, 0.763246 hours remaining, 209.800781 MB of memory in use. ENERGY: 4075200 771.6806 2038.8246 1968.8243 113.3165 -206407.8309 17911.2041 0.0000 0.0000 34205.5587 -149398.4221 298.7257 -183603.9808 -149300.0581 298.8958 -66.4194 -38.6020 559097.1912 -7.6084 -7.5266 PRESSURE: 4075400 139.772 -89.4193 232.953 -89.4189 -114.177 -32.2693 232.954 -32.2697 -392.692 GPRESSURE: 4075400 140.978 -19.9763 149.589 -178.9 -79.7437 -5.02488 172.018 50.4909 -335.023 PRESSAVG: 4075400 -19.252 8.27966 29.9411 8.2796 42.2254 46.167 29.941 46.167 -55.4094 GPRESSAVG: 4075400 -19.0691 6.3985 29.2766 10.641 44.0133 44.8395 28.8177 47.5813 -56.9679 TIMING: 4075400 CPU: 12254.4, 0.00297108/step Wall: 12254.4, 0.00297108/step, 0.763072 hours remaining, 209.800781 MB of memory in use. ENERGY: 4075400 746.8646 2112.7075 1922.9233 122.4268 -206265.3856 17767.9915 0.0000 0.0000 34168.9714 -149423.5005 298.4061 -183592.4719 -149324.0765 298.2997 -122.3658 -91.2628 557931.6858 -10.8120 -10.6746 PRESSURE: 4075600 -38.3448 -10.9477 -69.5505 -10.9483 -11.745 184.32 -69.5506 184.319 -8.35068 GPRESSURE: 4075600 41.729 33.4174 -55.9781 -49.9708 -65.5953 148.503 -4.36042 181.841 50.079 PRESSAVG: 4075600 23.7944 -38.0916 11.6959 -38.0916 -37.8558 12.5789 11.6959 12.5787 -0.607145 GPRESSAVG: 4075600 22.703 -37.946 11.3048 -38.762 -39.531 13.6274 12.5731 9.49968 2.09555 TIMING: 4075600 CPU: 12255, 0.00297038/step Wall: 12255, 0.00297038/step, 0.762728 hours remaining, 209.800781 MB of memory in use. ENERGY: 4075600 741.0783 2096.1818 1892.3299 103.4562 -206791.7187 18132.7399 0.0000 0.0000 34186.7636 -149639.1690 298.5615 -183825.9326 -149539.1086 297.8265 -19.4802 8.7376 556685.0671 -4.8895 -4.9108 PRESSURE: 4075800 -250.083 64.9695 -22.3768 64.9699 7.96106 -11.4715 -22.3767 -11.4718 -186.385 GPRESSURE: 4075800 -192.342 18.4814 -10.7098 88.5285 79.7671 -75.8136 -91.9912 13.9572 -212.652 PRESSAVG: 4075800 40.4684 21.1908 -0.842291 21.1906 -4.57052 38.3442 -0.842421 38.3441 -9.98334 GPRESSAVG: 4075800 40.6621 18.9535 0.925756 22.8249 -3.81656 39.0273 -2.05025 38.9867 -11.3606 TIMING: 4075800 CPU: 12255.6, 0.00300819/step Wall: 12255.6, 0.00300819/step, 0.772269 hours remaining, 210.062500 MB of memory in use. ENERGY: 4075800 720.7299 2020.1479 1931.7703 112.5536 -206129.4612 17650.1450 0.0000 0.0000 34170.3003 -149523.8143 298.4177 -183694.1145 -149421.1248 298.1807 -142.8357 -108.4089 557515.3739 8.6382 8.4950 PRESSURE: 4076000 -49.9758 48.2367 -47.9687 48.2375 -213.765 -134.594 -47.9669 -134.593 -139.967 GPRESSURE: 4076000 -52.8886 -10.4796 -47.6986 129.253 -152.143 -67.3464 -81.3065 -109.696 -121.416 PRESSAVG: 4076000 86.6417 -32.224 15.7317 -32.2241 -23.619 38.8879 15.7316 38.8879 -20.1239 GPRESSAVG: 4076000 87.401 -31.5366 13.6802 -32.9795 -24.3024 39.4481 18.8012 39.7213 -19.7993 TIMING: 4076000 CPU: 12256.2, 0.00299619/step Wall: 12256.2, 0.00299619/step, 0.769023 hours remaining, 210.062500 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: 4076000 742.9694 2101.3250 1937.9079 116.3795 -206222.7165 17718.3178 0.0000 0.0000 34087.3072 -149518.5097 297.6929 -183605.8169 -149421.2629 298.2326 -134.5693 -108.8158 557654.9199 14.2996 14.4331 PRESSURE: 4076200 -31.883 208.531 -102.738 208.53 -69.2863 -35.6512 -102.738 -35.651 37.9476 GPRESSURE: 4076200 13.3654 111.427 -183.457 205.851 26.9636 1.88568 -82.1007 -64.7813 -3.2729 PRESSAVG: 4076200 1.7679 24.7994 13.088 24.7993 48.8497 16.7146 13.0881 16.7144 -4.42723 GPRESSAVG: 4076200 1.80082 26.5857 12.6999 24.1368 48.4017 15.9462 11.6976 14.6387 -4.94371 TIMING: 4076200 CPU: 12256.8, 0.00297522/step Wall: 12256.8, 0.00297522/step, 0.763475 hours remaining, 210.062500 MB of memory in use. ENERGY: 4076200 800.4556 2085.5295 1926.6399 117.7212 -206164.2691 17938.5922 0.0000 0.0000 33901.5346 -149393.7960 296.0705 -183295.3306 -149303.8616 298.2190 -21.0739 12.3520 558093.8563 15.3968 15.0863 LDB: ============= START OF LOAD BALANCING ============== 12260.3 LDB: ============== END OF LOAD BALANCING =============== 12260.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12260.3 LDB: ============= START OF LOAD BALANCING ============== 12260.6 LDB: Largest compute 4802 load 0.028519 is 24.1% of average load 0.118197 LDB: Average compute 0.001721 is 1.5% of average load 0.118197 LDB: TIME 12260.6 LOAD: AVG 0.118197 MAX 0.202922 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.594 MB LDB: TIME 12260.6 LOAD: AVG 0.118197 MAX 0.202922 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.797 MB LDB: TIME 12260.6 LOAD: AVG 0.118197 MAX 0.202922 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.797 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12260.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12260.6 PRESSURE: 4076400 51.3552 25.51 23.2323 25.5096 163.866 -25.5937 23.2319 -25.5921 -167.498 GPRESSURE: 4076400 61.7273 49.0943 2.69325 -4.09281 198.172 -71.4799 -35.66 7.4014 -126.59 PRESSAVG: 4076400 11.506 93.1026 -57.4171 93.1025 6.49023 -30.8612 -57.4172 -30.861 5.50642 GPRESSAVG: 4076400 10.3572 94.1654 -57.7923 91.8419 7.9648 -30.3411 -57.9354 -29.0385 5.66452 TIMING: 4076400 CPU: 12257.4, 0.00300869/step Wall: 12257.4, 0.00300869/step, 0.771897 hours remaining, 209.804688 MB of memory in use. ENERGY: 4076400 770.7764 2070.7046 1922.4274 111.9241 -206619.7563 18058.1900 0.0000 0.0000 34340.1088 -149345.6250 299.9007 -183685.7338 -149257.3329 298.6870 15.9076 44.4362 558002.8678 7.8342 7.9955 PRESSURE: 4076600 -285.283 83.916 49.4264 83.9158 -4.3397 0.379365 49.4276 0.376627 -368.925 GPRESSURE: 4076600 -250.389 27.9393 7.24717 83.582 1.85496 -12.2098 28.3596 21.9326 -307.809 PRESSAVG: 4076600 -52.4967 36.5716 -39.9581 36.5715 80.7738 -14.6132 -39.9581 -14.6131 -5.83309 GPRESSAVG: 4076600 -51.4158 35.7599 -38.1852 36.7773 79.4809 -15.2831 -41.9694 -14.9382 -5.28074 TIMING: 4076600 CPU: 12258, 0.00297986/step Wall: 12258, 0.00297986/step, 0.764334 hours remaining, 210.007812 MB of memory in use. ENERGY: 4076600 766.1632 2106.2876 1928.8465 103.5195 -206066.0505 17555.2792 0.0000 0.0000 34361.8155 -149244.1390 300.0903 -183605.9544 -149143.4848 299.2467 -219.5160 -185.4475 558589.6043 7.4814 7.5948 PRESSURE: 4076800 95.2265 -115.334 -134.185 -115.334 -56.8694 -64.9569 -134.186 -64.9559 83.565 GPRESSURE: 4076800 143.067 -174.51 -224.501 -96.3874 -9.71101 -197.226 -74.1522 -34.8493 102.246 PRESSAVG: 4076800 50.8133 57.203 5.05352 57.2031 3.39939 -31.7489 5.05349 -31.7489 -53.7858 GPRESSAVG: 4076800 50.8091 56.8223 3.25656 57.7653 3.87125 -31.156 6.97146 -33.7251 -54.0163 TIMING: 4076800 CPU: 12258.6, 0.00296759/step Wall: 12258.6, 0.00296759/step, 0.761023 hours remaining, 210.007812 MB of memory in use. ENERGY: 4076800 758.3562 2079.1280 1896.4542 113.3597 -206473.5263 18093.1156 0.0000 0.0000 34276.8853 -149256.2273 299.3486 -183533.1126 -149154.4980 298.8176 40.6407 78.5342 557150.3564 0.1423 0.2213 PRESSURE: 4077000 -37.8983 42.5809 12.3483 42.5818 159.634 -12.0125 12.3486 -12.0133 204.566 GPRESSURE: 4077000 34.0519 66.4205 -3.34589 -47.0042 210.646 -38.8992 25.9598 -19.7555 186.926 PRESSAVG: 4077000 -31.5461 -59.7343 -55.9372 -59.7344 -84.5009 -69.2643 -55.9372 -69.2644 96.6154 GPRESSAVG: 4077000 -32.1089 -59.9607 -55.8321 -60.0719 -83.6337 -69.447 -56.3731 -68.406 96.8794 TIMING: 4077000 CPU: 12259.2, 0.00295681/step Wall: 12259.2, 0.00295681/step, 0.758094 hours remaining, 210.007812 MB of memory in use. ENERGY: 4077000 766.2840 2088.1366 1912.4985 119.0421 -206097.6282 17841.1696 0.0000 0.0000 34073.0248 -149297.4726 297.5682 -183370.4974 -149204.8769 298.6596 108.7673 143.8744 556481.5594 -6.4772 -6.2877 PRESSURE: 4077200 62.089 88.9159 -31.3415 88.916 37.7153 43.3517 -31.3417 43.3516 40.062 GPRESSURE: 4077200 88.5448 214.757 -21.6847 31.2234 64.5075 84.8698 -69.7726 16.9046 73.5109 PRESSAVG: 4077200 -18.7224 27.6649 -12.128 27.6649 43.7564 -8.41785 -12.1281 -8.41777 47.4455 GPRESSAVG: 4077200 -18.556 28.3699 -13.1404 27.154 43.4925 -8.56815 -11.601 -7.18074 46.9366 TIMING: 4077200 CPU: 12259.8, 0.00295673/step Wall: 12259.8, 0.00295673/step, 0.757907 hours remaining, 210.007812 MB of memory in use. ENERGY: 4077200 733.0643 2025.6384 1932.7922 118.8430 -206148.8481 17757.3292 0.0000 0.0000 34407.2722 -149173.9088 300.4873 -183581.1810 -149079.9366 299.3521 46.6221 75.5211 555656.6571 24.1598 23.9577 PRESSURE: 4077400 -105.27 -9.76332 26.654 -9.76395 314.267 2.78435 26.6529 2.78265 -53.131 GPRESSURE: 4077400 -12.0528 -53.0479 109.076 10.2882 321.184 11.9599 1.87573 12.4243 -55.9743 PRESSAVG: 4077400 4.69223 19.7589 -12.9259 19.7589 54.087 -37.2309 -12.9259 -37.231 -72.3536 GPRESSAVG: 4077400 3.49077 20.7578 -13.6961 19.7875 54.3516 -36.3826 -11.5852 -38.7375 -71.6897 TIMING: 4077400 CPU: 12260.4, 0.0029638/step Wall: 12260.4, 0.0029638/step, 0.759556 hours remaining, 210.007812 MB of memory in use. ENERGY: 4077400 724.4698 2112.3783 1918.5043 96.2324 -206517.0932 17954.7796 0.0000 0.0000 34453.2617 -149257.4669 300.8889 -183710.7287 -149159.2126 298.8624 51.9554 84.3858 555861.4809 -4.5248 -4.6158 PRESSURE: 4077600 112.652 -78.1249 109.166 -78.1259 180.378 23.2236 109.166 23.2206 -6.24628 GPRESSURE: 4077600 144.003 -27.702 162.77 -39.1013 214.49 99.3371 74.4717 -20.0875 24.6787 PRESSAVG: 4077600 -23.1375 -24.0389 47.7957 -24.0389 -31.0314 -9.56382 47.7957 -9.56391 -45.8394 GPRESSAVG: 4077600 -23.7379 -24.5312 50.602 -23.1019 -30.6446 -10.0972 45.9193 -7.23837 -45.5636 TIMING: 4077600 CPU: 12261, 0.00297571/step Wall: 12261, 0.00297571/step, 0.762443 hours remaining, 210.007812 MB of memory in use. ENERGY: 4077600 748.8985 2124.3360 1970.0460 126.1273 -206266.5202 17832.8249 0.0000 0.0000 34378.3997 -149085.8878 300.2351 -183464.2875 -148989.7195 299.1951 95.5945 127.7238 557094.3401 -33.3361 -33.3154 PRESSURE: 4077800 192.697 -78.9608 -94.4593 -78.9613 56.3546 -178.36 -94.4589 -178.36 -200.559 GPRESSURE: 4077800 275.367 -107.224 -87.262 -93.117 51.3967 -157.65 -95.3891 -208.718 -191.213 PRESSAVG: 4077800 11.1423 -12.6504 18.2913 -12.6504 -28.3971 -21.9453 18.2913 -21.9453 15.8957 GPRESSAVG: 4077800 12.5245 -13.9982 16.389 -12.4554 -29.3701 -21.6119 20.2202 -23.2329 15.7438 TIMING: 4077800 CPU: 12261.5, 0.00294599/step Wall: 12261.5, 0.00294599/step, 0.754663 hours remaining, 210.199219 MB of memory in use. ENERGY: 4077800 779.3199 2054.8972 1947.4595 111.6542 -206256.4388 18032.4395 0.0000 0.0000 34269.2547 -149061.4139 299.2819 -183330.6686 -148952.6001 299.1494 16.1642 45.1835 557741.1214 -0.4530 -0.3673 PRESSURE: 4078000 -133.021 131.744 -34.9767 131.744 -180.011 5.3603 -34.9754 5.36142 -151.937 GPRESSURE: 4078000 -13.5182 113.139 66.5886 43.899 -146.982 -36.8943 -17.5336 -79.9082 -198.381 PRESSAVG: 4078000 12.3933 27.7957 31.2794 27.7957 24.2288 -13.7357 31.2794 -13.7357 -35.886 GPRESSAVG: 4078000 12.5879 26.6922 33.3882 29.6651 23.6097 -13.0254 28.0329 -14.9281 -35.3254 TIMING: 4078000 CPU: 12262.1, 0.00294535/step Wall: 12262.1, 0.00294535/step, 0.754336 hours remaining, 210.199219 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: 4078000 779.2528 2074.2028 1930.1475 109.8849 -205775.1510 17531.8165 0.0000 0.0000 34226.2003 -149123.6461 298.9059 -183349.8464 -149031.7181 299.2123 -154.9894 -119.6269 558453.8922 0.2453 0.2907 PRESSURE: 4078200 -122.163 146.427 56.9829 146.427 -56.6224 -237.589 56.9832 -237.59 -202.135 GPRESSURE: 4078200 -122.421 148.154 37.8639 198.971 -37.0238 -187.798 47.1815 -227.097 -127.907 PRESSAVG: 4078200 -22.9837 55.9926 60.4447 55.9925 -50.6804 -35.8146 60.4447 -35.8145 45.4191 GPRESSAVG: 4078200 -23.3142 57.1038 59.8122 55.2558 -50.9035 -36.2284 61.6486 -34.2837 45.7873 TIMING: 4078200 CPU: 12262.7, 0.00295173/step Wall: 12262.7, 0.00295173/step, 0.755807 hours remaining, 210.199219 MB of memory in use. ENERGY: 4078200 777.6608 2102.8528 1940.2981 115.4058 -206278.2136 17816.9268 0.0000 0.0000 34301.1077 -149223.9616 299.5601 -183525.0693 -149135.6487 299.7955 -126.9735 -95.7839 557327.9175 -9.4150 -9.4768 PRESSURE: 4078400 -188.858 -108.748 50.9267 -108.748 -99.229 -115.193 50.9261 -115.193 -80.8493 GPRESSURE: 4078400 -113.82 -48.076 -3.18071 -99.4869 -49.7441 -86.7168 155.582 -76.2556 -108.749 PRESSAVG: 4078400 0.805867 42.0415 34.3435 42.0415 -4.96262 -3.78049 34.3435 -3.78042 29.9172 GPRESSAVG: 4078400 1.30754 41.2583 33.8605 40.9897 -3.88952 -3.32872 35.8545 -4.28159 27.4505 TIMING: 4078400 CPU: 12263.3, 0.00296678/step Wall: 12263.3, 0.00296678/step, 0.759495 hours remaining, 210.199219 MB of memory in use. ENERGY: 4078400 748.8674 2106.8081 1946.2602 118.0594 -206010.5440 17777.5509 0.0000 0.0000 34075.9947 -149237.0032 297.5941 -183312.9980 -149143.2743 299.1074 -122.9788 -90.7711 558857.5790 8.5868 8.2895 PRESSURE: 4078600 54.6983 34.2569 -112.395 34.2576 -185.516 108.383 -112.394 108.384 -6.65764 GPRESSURE: 4078600 69.5742 98.7112 -69.2048 -35.9955 -106.279 82.7711 -100.561 141.393 0.377732 PRESSAVG: 4078600 -19.0152 6.92535 54.0595 6.92534 -53.5014 -18.1762 54.0595 -18.1762 56.2483 GPRESSAVG: 4078600 -20.6338 5.16517 53.2739 7.04304 -53.1296 -17.7344 54.058 -20.5408 57.9496 TIMING: 4078600 CPU: 12263.9, 0.0029602/step Wall: 12263.9, 0.0029602/step, 0.757646 hours remaining, 210.199219 MB of memory in use. ENERGY: 4078600 737.0776 2096.9476 1936.8551 130.5127 -206033.8518 17816.7767 0.0000 0.0000 34013.7401 -149301.9420 297.0505 -183315.6821 -149203.9495 298.5736 -45.8250 -12.1088 558487.7130 -5.4228 -5.2713 PRESSURE: 4078800 -193.129 -243.29 7.10264 -243.29 93.0182 -76.3858 7.10204 -76.3844 -273.118 GPRESSURE: 4078800 -130.331 -166.119 -46.7506 -188.279 76.8307 -197.826 41.2676 2.38312 -227.901 PRESSAVG: 4078800 -19.2107 -57.3763 -76.1538 -57.3764 -35.0145 -7.44437 -76.1536 -7.44437 47.1121 GPRESSAVG: 4078800 -18.3301 -52.6741 -76.1507 -58.5776 -36.0655 -8.85131 -76.0721 -7.14638 46.6452 TIMING: 4078800 CPU: 12264.5, 0.00294795/step Wall: 12264.5, 0.00294795/step, 0.754347 hours remaining, 210.199219 MB of memory in use. ENERGY: 4078800 761.4378 2137.0948 1932.3667 103.8982 -206104.0410 17833.5089 0.0000 0.0000 33995.3974 -149340.3371 296.8903 -183335.7346 -149236.4887 298.4814 -124.4095 -93.8004 559604.1128 -2.3710 -2.5835 PRESSURE: 4079000 75.3469 -160.763 1.41624 -160.764 -82.6719 -77.9431 1.41605 -77.9439 -257.595 GPRESSURE: 4079000 60.4171 -161.144 111.799 -178.003 -38.2163 -67.8767 -40.0173 -104.79 -201.291 PRESSAVG: 4079000 15.3743 -33.961 16.4003 -33.9609 -24.2568 -26.6276 16.4003 -26.6275 -29.2404 GPRESSAVG: 4079000 14.329 -37.1029 16.7318 -34.1449 -23.4257 -27.1243 15.1522 -25.246 -29.2009 TIMING: 4079000 CPU: 12265.1, 0.00299962/step Wall: 12265.1, 0.00299962/step, 0.767403 hours remaining, 210.199219 MB of memory in use. ENERGY: 4079000 725.4811 2111.3349 1941.4754 105.8903 -206191.8737 17776.8515 0.0000 0.0000 34195.9261 -149334.9145 298.6415 -183530.8406 -149241.4438 299.0585 -88.3065 -59.6966 558118.0167 -12.7077 -12.7659 PRESSURE: 4079200 -348.79 -131.38 -73.3995 -131.38 -160.209 -15.061 -73.3992 -15.0607 -219.935 GPRESSURE: 4079200 -313.368 -127.792 -79.8768 -90.4975 -177.772 -52.6264 -93.1604 62.0413 -146.849 PRESSAVG: 4079200 -12.9426 -17.3227 21.4981 -17.3227 -6.75466 -45.3426 21.4981 -45.3427 22.3645 GPRESSAVG: 4079200 -12.9622 -15.4023 20.7056 -18.6546 -8.08628 -44.6138 21.2688 -46.2684 23.7954 TIMING: 4079200 CPU: 12265.7, 0.00299153/step Wall: 12265.7, 0.00299153/step, 0.765167 hours remaining, 210.199219 MB of memory in use. ENERGY: 4079200 738.1799 2097.3800 1928.1986 114.5723 -206029.1222 17512.0165 0.0000 0.0000 34281.0178 -149357.7571 299.3847 -183638.7749 -149257.8825 298.6131 -242.9777 -212.6630 558089.6488 0.8891 0.9156 PRESSURE: 4079400 -241.221 -43.8466 -14.0425 -43.8454 38.4235 -72.6615 -14.0422 -72.6625 -33.766 GPRESSURE: 4079400 -212.057 -19.1207 -29.9889 -22.9154 78.8769 -79.2619 6.41103 -102.392 -9.66611 PRESSAVG: 4079400 -16.28 -22.545 23.1772 -22.5451 67.3191 7.43422 23.1772 7.43424 -12.4509 GPRESSAVG: 4079400 -16.4197 -21.5924 24.2704 -22.3333 67.6912 7.71627 24.9486 9.88433 -12.9779 TIMING: 4079400 CPU: 12266.3, 0.00299816/step Wall: 12266.3, 0.00299816/step, 0.766695 hours remaining, 210.199219 MB of memory in use. ENERGY: 4079400 712.9711 2119.8474 1927.6374 113.1392 -206246.2440 17678.1109 0.0000 0.0000 34148.4899 -149546.0481 298.2273 -183694.5380 -149448.4318 298.4961 -78.8543 -47.6155 557305.9050 12.8627 12.7645 PRESSURE: 4079600 83.8046 -10.5506 93.7381 -10.5499 -338.488 -66.4129 93.738 -66.4145 -42.4811 GPRESSURE: 4079600 76.3702 -48.2461 68.8842 42.7119 -284.384 -53.647 97.0459 -116.496 1.76327 PRESSAVG: 4079600 11.9376 -26.9488 36.0404 -26.9488 -12.4388 -47.6993 36.0404 -47.6992 26.1592 GPRESSAVG: 4079600 12.2578 -29.0343 35.8134 -24.9914 -12.4739 -48.4721 34.6725 -48.5723 25.2603 TIMING: 4079600 CPU: 12266.9, 0.00300765/step Wall: 12266.9, 0.00300765/step, 0.768955 hours remaining, 210.402344 MB of memory in use. ENERGY: 4079600 755.0612 2032.3184 1921.0835 102.6373 -206054.1271 17760.5991 0.0000 0.0000 34161.0084 -149321.4192 298.3366 -183482.4276 -149220.4937 299.3590 -99.0548 -68.7501 558378.2150 8.5527 8.3481 PRESSURE: 4079800 224.404 -157.007 92.375 -157.007 -175.922 -38.4967 92.3743 -38.4968 5.47725 GPRESSURE: 4079800 186.936 -140.717 107.943 -187.373 -133.824 -74.4719 91.8334 -21.3774 101.835 PRESSAVG: 4079800 61.1535 54.1658 -36.5315 54.1658 -86.7939 -20.8436 -36.5315 -20.8436 -11.6567 GPRESSAVG: 4079800 61.9579 53.1062 -34.469 53.7913 -86.6238 -19.2999 -36.5116 -20.8309 -12.3688 TIMING: 4079800 CPU: 12267.5, 0.00295532/step Wall: 12267.5, 0.00295532/step, 0.755412 hours remaining, 210.402344 MB of memory in use. ENERGY: 4079800 717.0391 2015.3658 1913.3154 103.6414 -205999.1900 17746.7303 0.0000 0.0000 34115.9012 -149387.1968 297.9427 -183503.0981 -149286.9911 298.1251 17.9864 51.6489 557724.5358 -12.4324 -12.3449 PRESSURE: 4080000 -34.8651 -15.0328 -74.2237 -15.0326 -302.021 105.163 -74.2235 105.163 -155.087 GPRESSURE: 4080000 19.0291 -98.9246 -56.9887 5.97248 -326.802 163.209 -96.2642 35.1418 -77.1779 PRESSAVG: 4080000 13.9441 -11.1998 -4.51537 -11.1998 28.2495 -25.2357 -4.51543 -25.2356 -25.2965 GPRESSAVG: 4080000 13.9375 -11.9048 -6.8525 -10.2891 28.6509 -26.3806 -5.01626 -24.8746 -25.361 TIMING: 4080000 CPU: 12268.1, 0.00298135/step Wall: 12268.1, 0.00298135/step, 0.761901 hours remaining, 210.402344 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: 4080000 763.9203 2063.5583 1940.8865 128.4786 -205993.5881 17562.9712 0.0000 0.0000 34224.7977 -149308.9755 298.8937 -183533.7732 -149220.1701 298.7887 -163.9911 -128.3170 558422.3882 5.6323 5.7425 PRESSURE: 4080200 -151.841 -108.1 -10.5804 -108.101 -191.92 -44.3107 -10.5798 -44.3099 111.143 GPRESSURE: 4080200 -121.701 -129.055 -44.1555 -93.9838 -188.083 -41.3016 5.84607 -56.4929 171.823 PRESSAVG: 4080200 -3.96989 52.4594 48.6978 52.4594 2.52848 22.1077 48.6979 22.1077 54.6669 GPRESSAVG: 4080200 -3.86956 52.6239 51.7719 51.028 1.32045 22.5982 49.1375 20.376 55.7522 TIMING: 4080200 CPU: 12268.7, 0.00295471/step Wall: 12268.7, 0.00295471/step, 0.75493 hours remaining, 210.402344 MB of memory in use. ENERGY: 4080200 743.0424 2128.2433 1963.5965 103.0814 -206380.5729 17737.1223 0.0000 0.0000 34536.0332 -149169.4539 301.6118 -183705.4870 -149067.6584 299.4212 -77.5391 -45.9870 557744.1819 17.7418 17.7344 LDB: ============= START OF LOAD BALANCING ============== 12272.2 LDB: ============== END OF LOAD BALANCING =============== 12272.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12272.2 LDB: ============= START OF LOAD BALANCING ============== 12272.5 LDB: Largest compute 4773 load 0.027333 is 23.1% of average load 0.118202 LDB: Average compute 0.001721 is 1.5% of average load 0.118202 LDB: TIME 12272.5 LOAD: AVG 0.118202 MAX 0.204198 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.598 MB LDB: TIME 12272.5 LOAD: AVG 0.118202 MAX 0.204198 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.801 MB LDB: TIME 12272.5 LOAD: AVG 0.118202 MAX 0.204198 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.801 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12272.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12272.5 PRESSURE: 4080400 -92.5476 -82.8485 30.5636 -82.849 94.428 103.848 30.5641 103.848 215.168 GPRESSURE: 4080400 -87.849 -86.9997 40.4939 -151.037 183.913 128.03 46.5019 60.2421 215.277 PRESSAVG: 4080400 -83.1393 -56.6599 -12.1692 -56.66 -25.2129 -25.964 -12.1691 -25.964 29.0229 GPRESSAVG: 4080400 -83.2215 -57.6327 -13.5109 -56.7198 -25.844 -26.9488 -12.6534 -25.1743 29.5872 TIMING: 4080400 CPU: 12269.3, 0.00302314/step Wall: 12269.3, 0.00302314/step, 0.772244 hours remaining, 209.710938 MB of memory in use. ENERGY: 4080400 771.3566 2097.0714 1989.2740 130.8466 -206382.9872 18019.4093 0.0000 0.0000 34224.0692 -149150.9602 298.8873 -183375.0294 -149058.4485 299.5801 72.3495 103.7802 558327.8651 -26.4431 -26.4928 PRESSURE: 4080600 -56.9917 44.9131 -71.4939 44.9138 -77.298 -12.2965 -71.4932 -12.2979 -150.568 GPRESSURE: 4080600 -11.189 78.1749 27.8189 110.917 -15.2168 -69.0218 -175.737 -59.882 -139.563 PRESSAVG: 4080600 -54.0687 -36.7232 -14.5409 -36.7232 30.6792 -4.29875 -14.5409 -4.29878 44.7443 GPRESSAVG: 4080600 -54.0313 -35.6611 -14.4974 -37.7753 31.8485 -4.17371 -14.5303 -4.16557 43.7996 TIMING: 4080600 CPU: 12269.9, 0.00296165/step Wall: 12269.9, 0.00296165/step, 0.756372 hours remaining, 209.953125 MB of memory in use. ENERGY: 4080600 768.3576 2096.1763 1942.9299 125.3181 -206065.9979 17724.0780 0.0000 0.0000 34321.6445 -149087.4935 299.7395 -183409.1380 -148990.2411 299.9180 -94.9526 -55.3230 557870.8771 7.1183 7.2056 PRESSURE: 4080800 118.812 -71.5112 -56.1494 -71.511 -134.385 -23.0045 -56.1487 -23.0033 25.6844 GPRESSURE: 4080800 122.141 -7.1497 -151.602 -66.1209 -59.6902 -1.18933 30.7775 -21.659 49.6162 PRESSAVG: 4080800 7.90563 -73.1773 -19.7096 -73.1772 0.000874758 -1.53573 -19.7096 -1.53579 6.93555 GPRESSAVG: 4080800 8.03189 -72.9554 -19.2509 -73.5146 0.385212 -1.70497 -18.537 -1.92079 6.53719 TIMING: 4080800 CPU: 12270.5, 0.00297232/step Wall: 12270.5, 0.00297232/step, 0.758932 hours remaining, 209.953125 MB of memory in use. ENERGY: 4080800 747.1233 2152.8666 1945.6555 109.0410 -206188.9087 17817.1410 0.0000 0.0000 34477.5493 -148939.5320 301.1010 -183417.0813 -148847.4432 300.2948 3.3706 37.3557 556053.8563 4.9474 4.9848 PRESSURE: 4081000 -191.23 -55.7328 -151.043 -55.7325 -7.96278 -10.5676 -151.043 -10.5675 325.844 GPRESSURE: 4081000 -117.994 -53.054 -226.791 -7.69993 -15.191 -104.411 -148.036 54.9493 364.512 PRESSAVG: 4081000 -80.0919 -45.0794 1.11272 -45.0794 38.6049 -3.80532 1.1127 -3.8053 52.4686 GPRESSAVG: 4081000 -80.4909 -45.1925 -0.368891 -45.2026 38.3618 -2.17039 1.01137 -2.83805 52.896 TIMING: 4081000 CPU: 12271.1, 0.00297433/step Wall: 12271.1, 0.00297433/step, 0.759281 hours remaining, 209.953125 MB of memory in use. ENERGY: 4081000 760.5058 2114.9832 1926.6807 128.9126 -206460.9517 17861.1265 0.0000 0.0000 34476.7065 -149192.0364 301.0937 -183668.7429 -149106.4389 300.4257 42.2171 77.1090 555986.7588 3.6605 3.5890 PRESSURE: 4081200 256.991 177.354 -67.711 177.355 -52.0161 61.8113 -67.7109 61.8097 83.9672 GPRESSURE: 4081200 229.362 221.482 -105.425 177.394 19.2659 90.117 -63.1831 -14.7383 138.223 PRESSAVG: 4081200 -34.6221 20.9279 12.3114 20.9279 53.3731 -29.587 12.3115 -29.5869 -1.99494 GPRESSAVG: 4081200 -34.0645 20.4841 11.8382 21.5824 54.5167 -30.1105 11.2253 -29.8555 -3.38798 TIMING: 4081200 CPU: 12271.7, 0.00295966/step Wall: 12271.7, 0.00295966/step, 0.755372 hours remaining, 209.953125 MB of memory in use. ENERGY: 4081200 765.9149 2043.0076 1957.2542 107.9514 -206501.5820 18148.0595 0.0000 0.0000 34297.1236 -149182.2708 299.5253 -183479.3945 -149089.6432 299.7736 96.3140 128.9505 558046.7042 5.5854 5.6881 PRESSURE: 4081400 38.2189 -9.00574 -133.17 -9.00447 184.957 17.779 -133.169 17.7797 -158.382 GPRESSURE: 4081400 48.9027 -28.885 -140.988 -47.3148 207.393 57.612 -50.6539 30.7338 -93.987 PRESSAVG: 4081400 -10.5898 0.468306 19.9347 0.468219 40.2456 -34.0098 19.9347 -34.0099 -31.7718 GPRESSAVG: 4081400 -10.9202 0.975244 21.1757 0.0442056 40.023 -33.9813 21.4391 -33.8007 -31.5293 TIMING: 4081400 CPU: 12272.2, 0.00297616/step Wall: 12272.2, 0.00297616/step, 0.759418 hours remaining, 209.953125 MB of memory in use. ENERGY: 4081400 755.2454 2100.6582 1952.6874 109.5625 -206421.9396 17939.7647 0.0000 0.0000 34246.0169 -149318.0045 299.0790 -183564.0214 -149219.8481 298.8907 21.5981 54.1030 558027.0165 -0.7053 -0.8088 PRESSURE: 4081600 -106.535 -24.9891 152.065 -24.9884 56.0705 -11.5724 152.066 -11.5722 -64.0357 GPRESSURE: 4081600 -48.8124 -47.4634 138.22 -2.52063 62.3942 13.1969 182.808 -23.5327 -42.3395 PRESSAVG: 4081600 26.7288 23.5238 -37.098 23.5238 34.145 -67.9262 -37.098 -67.9262 -97.1584 GPRESSAVG: 4081600 26.9741 24.4812 -38.9474 22.0631 32.4877 -67.4572 -37.9573 -67.0266 -95.3354 TIMING: 4081600 CPU: 12272.8, 0.00298253/step Wall: 12272.8, 0.00298253/step, 0.760876 hours remaining, 209.953125 MB of memory in use. ENERGY: 4081600 735.8079 2088.4004 1950.6214 99.6827 -206531.4154 17977.4827 0.0000 0.0000 34270.1121 -149409.3081 299.2894 -183679.4202 -149320.2620 298.7584 -38.1669 -9.5859 557681.0535 -12.0949 -11.9579 PRESSURE: 4081800 55.7659 89.3756 59.788 89.3736 29.4271 31.8969 59.7882 31.8966 -129.804 GPRESSURE: 4081800 66.0265 109.887 44.5788 68.627 42.7773 75.8237 37.6121 -23.7824 -56.4128 PRESSAVG: 4081800 -17.3689 35.5257 -11.0716 35.5258 21.7121 -62.7157 -11.0716 -62.7157 -16.0328 GPRESSAVG: 4081800 -18.0676 34.7407 -9.58645 36.2732 23.2396 -61.7414 -12.9057 -64.6073 -16.2495 TIMING: 4081800 CPU: 12273.4, 0.00296955/step Wall: 12273.4, 0.00296955/step, 0.757401 hours remaining, 209.953125 MB of memory in use. ENERGY: 4081800 779.7230 2160.9577 1927.5057 129.2936 -206491.0984 17962.4508 0.0000 0.0000 34136.3924 -149394.7751 298.1216 -183531.1675 -149294.6941 298.4142 -14.8705 17.4636 557158.8607 -3.8965 -3.6925 PRESSURE: 4082000 65.338 -97.0969 -76.5606 -97.0961 -318.34 -47.6209 -76.5601 -47.6211 -195.905 GPRESSURE: 4082000 87.8596 -222.419 -116.664 -87.443 -303.623 -63.1926 4.24002 -32.7227 -133.706 PRESSAVG: 4082000 41.2658 17.8545 -8.07079 17.8545 -23.8594 -18.827 -8.07079 -18.827 -14.4866 GPRESSAVG: 4082000 41.8004 18.6036 -6.49155 18.013 -24.3001 -20.1941 -5.97062 -17.2992 -14.1629 TIMING: 4082000 CPU: 12274, 0.00295945/step Wall: 12274, 0.00295945/step, 0.754659 hours remaining, 209.953125 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: 4082000 765.1526 2094.7885 1905.8350 126.3527 -206305.3097 17640.6997 0.0000 0.0000 34258.7183 -149513.7629 299.1899 -183772.4812 -149415.0392 298.7827 -149.6354 -116.4900 558199.1269 0.9733 1.1125 PRESSURE: 4082200 -16.0066 28.0562 -114.508 28.0569 -102.301 31.0569 -114.509 31.0545 118.775 GPRESSURE: 4082200 20.9445 46.0211 -118.437 8.39745 -61.0976 -17.7284 -214.142 57.2154 154.654 PRESSAVG: 4082200 -31.8379 -39.8146 -36.1652 -39.8145 10.0466 26.8854 -36.1651 26.8854 11.3562 GPRESSAVG: 4082200 -32.8012 -40.6637 -39.1885 -38.9932 10.5186 26.573 -35.12 26.4478 11.5241 TIMING: 4082200 CPU: 12274.6, 0.00295069/step Wall: 12274.6, 0.00295069/step, 0.752263 hours remaining, 209.953125 MB of memory in use. ENERGY: 4082200 772.5145 2053.7661 1932.4538 120.4083 -206304.7376 17774.6158 0.0000 0.0000 34247.5593 -149403.4199 299.0925 -183650.9792 -149309.0731 299.4359 0.1560 38.1670 556423.4393 -3.4784 -3.5862 PRESSURE: 4082400 -148.472 68.7047 152.874 68.7034 302.317 -85.5384 152.876 -85.5371 271.125 GPRESSURE: 4082400 -86.8083 121.416 154.411 61.2446 297.596 -136.849 174.251 -17.0909 325.731 PRESSAVG: 4082400 28.2748 1.94676 27.5081 1.94674 -5.72096 -12.8293 27.5081 -12.8294 17.5307 GPRESSAVG: 4082400 29.7361 0.523498 29.7666 1.07041 -6.81413 -14.1809 25.0131 -12.1193 17.4904 TIMING: 4082400 CPU: 12275.2, 0.00294281/step Wall: 12275.2, 0.00294281/step, 0.750091 hours remaining, 209.953125 MB of memory in use. ENERGY: 4082400 738.6126 2077.6948 1949.0432 110.2349 -206244.4986 17895.2484 0.0000 0.0000 34272.7339 -149200.9308 299.3123 -183473.6647 -149104.7561 299.9750 141.6569 178.8396 556785.3849 13.3615 13.4708 PRESSURE: 4082600 -24.3549 11.5107 114.467 11.5121 -76.2194 24.0871 114.467 24.0874 69.0328 GPRESSURE: 4082600 4.46429 74.7828 72.3835 -79.068 -43.8852 60.1465 186.571 12.1334 107.79 PRESSAVG: 4082600 -10.0305 23.7859 -6.08598 23.7858 -46.8997 51.1998 -6.08593 51.1998 66.3929 GPRESSAVG: 4082600 -11.0702 23.3913 -6.03938 25.0187 -45.4664 53.1649 -5.65405 49.8876 65.4895 TIMING: 4082600 CPU: 12275.8, 0.0029471/step Wall: 12275.8, 0.0029471/step, 0.75102 hours remaining, 209.953125 MB of memory in use. ENERGY: 4082600 759.8759 2113.0695 1938.8567 128.2476 -206509.7321 17830.3578 0.0000 0.0000 34479.6205 -149259.7042 301.1191 -183739.3247 -149169.2070 299.7094 -10.5138 22.7898 556529.3959 3.1543 2.9843 PRESSURE: 4082800 239.076 118.342 28.866 118.341 72.1342 35.9308 28.8679 35.9294 113.395 GPRESSURE: 4082800 222.494 109.756 15.6367 95.7143 126.932 46.7968 71.8264 85.8293 175.249 PRESSAVG: 4082800 23.8595 49.7392 -17.3074 49.7392 -56.4881 40.6167 -17.3073 40.6166 82.6094 GPRESSAVG: 4082800 23.5118 49.381 -16.7277 49.3604 -57.0112 41.2712 -15.9851 40.28 83.176 TIMING: 4082800 CPU: 12276.4, 0.00295684/step Wall: 12276.4, 0.00295684/step, 0.753337 hours remaining, 209.953125 MB of memory in use. ENERGY: 4082800 758.2583 2082.7565 1941.4156 115.9991 -206271.2399 18015.4097 0.0000 0.0000 34242.5828 -149114.8179 299.0490 -183357.4007 -149017.1059 299.4605 141.5350 174.8919 555158.6714 16.6603 16.5589 PRESSURE: 4083000 296.104 64.4352 -43.6371 64.4358 -236.312 27.6367 -43.6359 27.6371 -162.468 GPRESSURE: 4083000 319.247 107.611 -7.41739 36.8163 -155.704 -17.0356 -83.0186 24.9754 -179.268 PRESSAVG: 4083000 45.1155 86.3314 29.299 86.3315 21.6151 10.0059 29.2989 10.0059 -38.6988 GPRESSAVG: 4083000 45.4691 89.0964 28.3825 84.8082 20.2073 9.34636 27.5894 10.6361 -38.1014 TIMING: 4083000 CPU: 12277, 0.00296109/step Wall: 12277, 0.00296109/step, 0.754256 hours remaining, 209.953125 MB of memory in use. ENERGY: 4083000 757.8542 2102.3898 1933.7069 102.5414 -206100.0995 17720.1738 0.0000 0.0000 34409.9149 -149073.5186 300.5103 -183483.4335 -148983.5526 299.8649 -34.2255 -5.2418 555631.8591 9.3439 9.1916 PRESSURE: 4083200 -173.257 105.258 23.6912 105.26 -163.427 47.1022 23.6909 47.1024 4.38615 GPRESSURE: 4083200 -132.669 132.009 91.926 95.2064 -115.392 84.2866 -63.2037 -0.543551 14.048 PRESSAVG: 4083200 95.5682 11.5412 -31.8949 11.5412 -39.426 19.7912 -31.8948 19.7911 -47.7978 GPRESSAVG: 4083200 94.2893 10.4431 -31.3363 10.5845 -37.9921 19.0115 -30.1779 17.9521 -48.3558 TIMING: 4083200 CPU: 12277.6, 0.00293953/step Wall: 12277.6, 0.00293953/step, 0.748601 hours remaining, 209.953125 MB of memory in use. ENERGY: 4083200 748.5233 2104.5034 1948.7567 111.8151 -205914.7045 17373.2632 0.0000 0.0000 34327.8680 -149299.9749 299.7938 -183627.8429 -149204.5814 299.9587 -110.7659 -78.0042 554561.3011 2.7815 2.6471 PRESSURE: 4083400 -169.962 72.1316 -6.2443 72.1311 -39.0443 42.1439 -6.24484 42.1432 -150.025 GPRESSURE: 4083400 -149.9 104.994 -18.1858 85.1239 12.2193 111.309 13.3905 -21.7975 -138.688 PRESSAVG: 4083400 -37.3932 25.3985 0.205645 25.3986 51.0725 -36.6999 0.205579 -36.6998 18.6087 GPRESSAVG: 4083400 -36.8559 25.4664 -1.42608 26.6596 51.7856 -36.3889 -2.09943 -34.396 17.3956 TIMING: 4083400 CPU: 12278.2, 0.00293867/step Wall: 12278.2, 0.00293867/step, 0.748219 hours remaining, 210.140625 MB of memory in use. ENERGY: 4083400 741.9416 2132.8638 1930.5223 122.7061 -205879.7904 17578.5469 0.0000 0.0000 34239.8244 -149133.3852 299.0249 -183373.2096 -149026.8022 299.6111 -119.6769 -92.1229 555741.9845 10.7627 10.7751 PRESSURE: 4083600 92.996 53.0387 -89.5003 53.0385 54.5657 132.384 -89.4994 132.382 -192.625 GPRESSURE: 4083600 154.744 36.6341 -51.1061 97.2806 107.63 121.429 -132.497 89.9583 -196.701 PRESSAVG: 4083600 1.50154 48.6996 -15.4559 48.6997 24.5452 4.17043 -15.4559 4.17047 -11.7196 GPRESSAVG: 4083600 1.71522 47.0034 -16.3269 49.0056 24.5418 3.34715 -14.0789 4.35542 -12.2684 TIMING: 4083600 CPU: 12278.7, 0.00294662/step Wall: 12278.7, 0.00294662/step, 0.750079 hours remaining, 210.140625 MB of memory in use. ENERGY: 4083600 753.9642 2064.5539 1976.3800 112.4630 -206321.3715 17897.8696 0.0000 0.0000 34425.8922 -149090.2486 300.6499 -183516.1408 -148996.7106 299.8674 -15.0212 21.8911 555955.7569 4.7757 4.6629 PRESSURE: 4083800 176.503 76.3315 -4.90532 76.3317 29.6344 -85.1511 -4.90573 -85.1504 46.5037 GPRESSURE: 4083800 274.077 71.1459 7.73951 57.2479 22.6336 -125.813 -12.4263 -137.468 60.753 PRESSAVG: 4083800 0.760037 10.6996 -9.31466 10.6996 -22.9193 -24.439 -9.3146 -24.439 45.892 GPRESSAVG: 4083800 1.21541 12.422 -9.10902 9.58615 -24.0278 -23.8884 -8.90006 -24.7018 46.3379 TIMING: 4083800 CPU: 12279.3, 0.00297547/step Wall: 12279.3, 0.00297547/step, 0.757258 hours remaining, 210.140625 MB of memory in use. ENERGY: 4083800 714.9469 2102.9480 1948.2383 114.6118 -206090.4769 17829.4601 0.0000 0.0000 34161.6555 -149218.6163 298.3422 -183380.2718 -149120.9828 299.4405 84.2137 119.1545 556795.4687 7.9109 7.8418 PRESSURE: 4084000 107.125 -131.506 156.764 -131.507 71.9046 75.4697 156.765 75.4691 -93.8261 GPRESSURE: 4084000 146.188 -127.338 157.699 -87.8855 73.1065 33.5475 220.864 100.577 -24.9028 PRESSAVG: 4084000 34.2721 18.7727 4.8731 18.7726 -45.4736 19.2234 4.87308 19.2234 7.2566 GPRESSAVG: 4084000 32.5619 19.2234 7.72764 19.5573 -44.9097 19.4753 4.06909 17.8059 8.27911 TIMING: 4084000 CPU: 12279.9, 0.00297586/step Wall: 12279.9, 0.00297586/step, 0.75719 hours remaining, 210.140625 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: 4084000 722.1593 2109.7536 1936.1415 132.4381 -206311.4865 17869.3202 0.0000 0.0000 34377.1268 -149164.5470 300.2240 -183541.6738 -149067.9431 300.0341 28.4011 64.7973 557703.0084 -1.3149 -1.3562 PRESSURE: 4084200 144.45 5.20863 26.9489 5.20936 125.676 110.01 26.9483 110.01 -228.586 GPRESSURE: 4084200 154.648 -5.05992 -6.02516 -1.68165 190.413 177.961 13.5626 134.368 -205.275 PRESSAVG: 4084200 20.6619 4.96548 -21.0119 4.96548 -86.0988 -10.9868 -21.0119 -10.9869 60.1475 GPRESSAVG: 4084200 21.8696 4.54736 -21.6362 3.2946 -87.7476 -10.3704 -22.1985 -12.0338 60.324 TIMING: 4084200 CPU: 12280.5, 0.00297475/step Wall: 12280.5, 0.00297475/step, 0.756743 hours remaining, 210.140625 MB of memory in use. ENERGY: 4084200 773.3660 2128.8349 1931.3282 115.4746 -206251.1346 17883.5195 0.0000 0.0000 34251.5079 -149167.1035 299.1269 -183418.6114 -149079.2139 299.9402 13.8467 46.5953 556554.8352 -1.7631 -1.8513 LDB: ============= START OF LOAD BALANCING ============== 12284.1 LDB: ============== END OF LOAD BALANCING =============== 12284.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12284.1 LDB: ============= START OF LOAD BALANCING ============== 12284.4 LDB: Largest compute 4773 load 0.028157 is 23.8% of average load 0.118137 LDB: Average compute 0.001724 is 1.5% of average load 0.118137 LDB: TIME 12284.4 LOAD: AVG 0.118137 MAX 0.20381 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.484 MB LDB: TIME 12284.4 LOAD: AVG 0.118137 MAX 0.20381 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.727 MB LDB: TIME 12284.4 LOAD: AVG 0.118137 MAX 0.20381 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.727 MB LDB: ============== END OF LOAD BALANCING =============== 12284.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12284.4 PRESSURE: 4084400 68.4519 -58.4503 3.21968 -58.4511 -274.013 46.1572 3.21921 46.1564 -81.4568 GPRESSURE: 4084400 110.481 33.1579 -31.5422 -103.532 -260.519 -78.2814 3.1631 40.5302 -35.7683 PRESSAVG: 4084400 138.157 -6.26846 27.9713 -6.2685 -12.5653 -18.5137 27.9713 -18.5137 -50.8922 GPRESSAVG: 4084400 139.178 -6.13051 25.1268 -5.70227 -11.5213 -19.447 29.6566 -18.1215 -52.6582 TIMING: 4084400 CPU: 12281.1, 0.00306356/step Wall: 12281.1, 0.00306356/step, 0.779164 hours remaining, 208.687500 MB of memory in use. ENERGY: 4084400 749.8547 2130.7330 1927.9360 109.8748 -206011.1879 17514.6077 0.0000 0.0000 34357.6368 -149220.5448 300.0538 -183578.1816 -149122.4592 299.6521 -95.6728 -61.9355 556294.6595 24.8998 24.9995 PRESSURE: 4084600 -158.218 -196.315 13.3376 -196.315 212.39 -212.745 13.3386 -212.744 -103.507 GPRESSURE: 4084600 -109.23 -186.208 79.4352 -196.311 256.038 -155.111 74.6 -170.107 -97.7624 PRESSAVG: 4084600 21.8369 -18.7572 10.912 -18.7573 -12.2062 -15.539 10.9121 -15.539 23.5641 GPRESSAVG: 4084600 22.2066 -19.8851 12.8001 -18.1339 -12.463 -15.5593 10.3378 -13.1714 24.2705 TIMING: 4084600 CPU: 12281.7, 0.00297376/step Wall: 12281.7, 0.00297376/step, 0.756161 hours remaining, 208.687500 MB of memory in use. ENERGY: 4084600 752.9304 2102.1815 1946.5230 107.1532 -206327.8116 17896.2051 0.0000 0.0000 34134.1054 -149388.7130 298.1016 -183522.8184 -149290.7764 299.6042 -16.4449 16.3485 556511.2388 11.0649 11.3380 PRESSURE: 4084800 153.688 -46.1761 129.689 -46.1738 25.6751 26.2595 129.688 26.2595 191.668 GPRESSURE: 4084800 175.831 -83.9599 137.462 -46.1968 107.78 48.8776 96.8599 33.2838 185.044 PRESSAVG: 4084800 -47.3849 35.9098 44.4198 35.9098 70.6443 -30.9378 44.4199 -30.9377 -17.9103 GPRESSAVG: 4084800 -47.6862 35.5259 42.8422 37.2717 70.8969 -30.9234 45.8305 -31.4791 -17.6982 TIMING: 4084800 CPU: 12282.3, 0.00294987/step Wall: 12282.3, 0.00294987/step, 0.749922 hours remaining, 208.687500 MB of memory in use. ENERGY: 4084800 712.8499 2051.7869 1944.9757 97.4903 -206471.3440 17799.5200 0.0000 0.0000 34473.4222 -149391.2989 301.0650 -183864.7211 -149285.1393 298.7155 123.6770 156.2186 556259.5351 1.7830 1.8375 PRESSURE: 4085000 -49.9954 -228.521 0.346536 -228.522 136.961 -34.0829 0.34726 -34.0826 -4.66905 GPRESSURE: 4085000 5.82005 -239.918 60.1129 -108.37 137.246 -52.6147 60.136 16.8679 45.9839 PRESSAVG: 4085000 25.4222 22.3567 82.4426 22.3566 -6.04007 -21.214 82.4426 -21.214 -7.11047 GPRESSAVG: 4085000 26.022 24.0327 83.2746 20.8156 -5.85242 -21.7964 81.7927 -21.6467 -7.84961 TIMING: 4085000 CPU: 12282.9, 0.00295308/step Wall: 12282.9, 0.00295308/step, 0.750575 hours remaining, 208.687500 MB of memory in use. ENERGY: 4085000 759.9297 2068.3422 1933.5986 100.9504 -206586.8621 17912.9998 0.0000 0.0000 34535.6517 -149275.3896 301.6084 -183811.0413 -149180.0056 299.6210 27.4322 63.0165 555292.7393 4.0906 4.1066 PRESSURE: 4085200 -457.664 87.4514 175.195 87.4506 -342.069 11.347 175.195 11.3449 -115.781 GPRESSURE: 4085200 -398.003 151.958 228.837 -76.8081 -336.637 -31.163 107.864 -38.8396 -90.0439 PRESSAVG: 4085200 -6.19003 -57.8799 64.9219 -57.88 8.64659 32.3129 64.9219 32.3129 34.1808 GPRESSAVG: 4085200 -6.75932 -58.34 65.8034 -56.5192 10.0462 30.7314 64.263 32.8932 33.796 TIMING: 4085200 CPU: 12283.5, 0.00294467/step Wall: 12283.5, 0.00294467/step, 0.748272 hours remaining, 208.687500 MB of memory in use. ENERGY: 4085200 769.1303 2090.5890 1947.4017 107.1124 -205749.4230 17407.6495 0.0000 0.0000 34242.6042 -149184.9361 299.0492 -183427.5403 -149094.3114 299.2483 -305.1711 -274.8945 558999.2434 12.2124 12.3609 PRESSURE: 4085400 61.8227 -9.51491 -90.1573 -9.51545 83.6852 -239.253 -90.1573 -239.253 227.748 GPRESSURE: 4085400 58.3515 -3.41503 -124.193 28.101 130.826 -218.022 -35.3619 -189.077 282.939 PRESSAVG: 4085400 1.83027 -31.065 10.6926 -31.0649 0.334869 -25.7898 10.6926 -25.7898 23.0323 GPRESSAVG: 4085400 1.98187 -31.5372 8.12783 -29.9078 -1.47043 -23.1997 11.4957 -28.1522 24.2076 TIMING: 4085400 CPU: 12284.1, 0.00297017/step Wall: 12284.1, 0.00297017/step, 0.754587 hours remaining, 208.687500 MB of memory in use. ENERGY: 4085400 735.0232 2044.4399 1935.6700 111.4092 -206135.1917 17850.0791 0.0000 0.0000 34226.0109 -149232.5594 298.9043 -183458.5703 -149141.6793 298.9890 124.4185 157.3719 555133.2710 8.3991 8.2397 PRESSURE: 4085600 -57.7862 -12.9901 16.8083 -12.9902 -68.6095 153.33 16.8077 153.329 -201.157 GPRESSURE: 4085600 35.5014 -70.2077 90.4349 35.7149 -77.8857 155.581 2.09063 162.534 -192.259 PRESSAVG: 4085600 -36.0855 -37.167 22.3482 -37.167 3.51358 -13.5846 22.3484 -13.5846 29.3199 GPRESSAVG: 4085600 -36.0746 -36.2999 22.3731 -39.4776 2.86702 -13.4653 22.3157 -10.3804 29.8779 TIMING: 4085600 CPU: 12284.7, 0.00293811/step Wall: 12284.7, 0.00293811/step, 0.746279 hours remaining, 208.687500 MB of memory in use. ENERGY: 4085600 739.1359 2084.2481 1930.1501 99.7238 -205860.5855 17453.7327 0.0000 0.0000 34342.7176 -149210.8774 299.9235 -183553.5949 -149114.6353 299.9661 -109.1843 -78.2145 557044.0952 -1.0840 -1.1099 PRESSURE: 4085800 58.9115 113.49 -24.9727 113.491 -324.092 186.492 -24.9733 186.49 396.636 GPRESSURE: 4085800 79.8517 87.1449 -62.2329 164.148 -227.59 175.701 4.63908 188.38 361.781 PRESSAVG: 4085800 -34.6503 28.6475 -1.37049 28.6474 -24.3856 79.8839 -1.3704 79.8839 57.1373 GPRESSAVG: 4085800 -34.4669 29.0285 -0.253065 29.2621 -22.5641 78.853 -1.13097 76.3355 54.5817 TIMING: 4085800 CPU: 12285.3, 0.00293817/step Wall: 12285.3, 0.00293817/step, 0.746132 hours remaining, 208.687500 MB of memory in use. ENERGY: 4085800 732.4560 2090.2489 1931.9193 108.1105 -206129.1622 17953.9457 0.0000 0.0000 34148.8512 -149163.6305 298.2304 -183312.4818 -149067.3788 300.1077 43.8185 71.3476 558386.2754 -0.6329 -0.8164 PRESSURE: 4086000 19.3118 44.9101 -24.4255 44.9096 -250.817 -106.367 -24.4251 -106.368 54.9432 GPRESSURE: 4086000 47.511 65.0841 -8.88551 41.5709 -246.499 -114.03 -102.355 -120.147 107.186 PRESSAVG: 4086000 -19.7624 37.406 -43.6864 37.4059 -61.652 55.3056 -43.6864 55.3057 49.9627 GPRESSAVG: 4086000 -19.5891 37.0964 -42.1183 37.7742 -63.0916 55.2021 -44.0828 57.6223 51.4475 TIMING: 4086000 CPU: 12285.9, 0.00293838/step Wall: 12285.9, 0.00293838/step, 0.746023 hours remaining, 208.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4086000 748.0386 2058.2478 1920.2424 112.0446 -205989.1638 17705.0663 0.0000 0.0000 34214.0415 -149231.4826 298.7997 -183445.5241 -149134.8059 298.9701 -58.8540 -30.6009 556925.7631 -10.4839 -10.4111 PRESSURE: 4086200 142.487 52.1012 -69.6689 52.102 -149.744 322.295 -69.6687 322.295 -295.285 GPRESSURE: 4086200 173.186 17.4161 -12.5028 -53.6968 -102.268 370.834 -75.0848 257.708 -266.154 PRESSAVG: 4086200 3.26188 50.2878 -43.6864 50.2877 -5.23799 54.5779 -43.6864 54.5781 10.932 GPRESSAVG: 4086200 2.7103 51.2064 -46.7881 49.8041 -5.27201 55.3438 -42.4943 53.4887 11.0423 TIMING: 4086200 CPU: 12286.5, 0.00292182/step Wall: 12286.5, 0.00292182/step, 0.741655 hours remaining, 208.687500 MB of memory in use. ENERGY: 4086200 745.9674 2099.9889 1953.9219 118.6063 -206150.1627 17796.8278 0.0000 0.0000 34275.7862 -149159.0641 299.3390 -183434.8503 -149063.9106 299.2541 -100.8475 -65.0786 558464.9096 2.9853 2.8269 PRESSURE: 4086400 80.1813 85.6364 -173.855 85.6358 90.8615 126.025 -173.855 126.026 94.72 GPRESSURE: 4086400 64.6193 38.0554 -224.585 67.7957 148.624 152.292 -93.2092 63.064 165.363 PRESSAVG: 4086400 -28.528 28.5752 -39.7527 28.5751 23.3815 56.669 -39.7527 56.669 24.2011 GPRESSAVG: 4086400 -28.76 28.5906 -39.4259 29.0475 24.661 56.8299 -38.8551 56.3564 23.2822 TIMING: 4086400 CPU: 12287, 0.00293502/step Wall: 12287, 0.00293502/step, 0.744843 hours remaining, 208.687500 MB of memory in use. ENERGY: 4086400 750.1597 2040.4195 1944.9959 115.7804 -206363.0055 17970.5470 0.0000 0.0000 34284.4855 -149256.6174 299.4149 -183541.1029 -149164.8175 300.1576 88.5876 126.2022 554606.8345 6.3515 6.3944 PRESSURE: 4086600 -14.2833 -45.6039 68.0033 -45.6049 -13.7605 32.7802 68.0044 32.7815 -178.206 GPRESSURE: 4086600 28.4539 -74.562 76.0935 -84.0322 -50.3164 78.9249 -19.0023 10.5021 -79.1567 PRESSAVG: 4086600 9.61121 -28.4898 -20.2688 -28.4898 -44.6763 -40.5263 -20.2688 -40.5263 49.2396 GPRESSAVG: 4086600 10.2054 -29.4102 -18.8844 -27.729 -46.1362 -41.0773 -21.9637 -39.56 50.3973 TIMING: 4086600 CPU: 12287.6, 0.00296661/step Wall: 12287.6, 0.00296661/step, 0.752696 hours remaining, 208.687500 MB of memory in use. ENERGY: 4086600 749.3643 2032.1171 1931.2620 107.9025 -206129.6612 17653.4769 0.0000 0.0000 34351.0068 -149304.5316 299.9959 -183655.5384 -149211.1915 299.2891 -68.7501 -33.6730 555909.9053 4.7248 4.8221 PRESSURE: 4086800 -167.465 145.43 -17.2115 145.43 12.7223 48.2153 -17.2108 48.2149 -135.659 GPRESSURE: 4086800 -99.4657 219.28 -0.522515 127.853 -6.30461 -6.40339 -74.0904 24.0671 -80.7053 PRESSAVG: 4086800 2.4835 54.0063 -28.6534 54.0063 2.61587 -19.6872 -28.6535 -19.6872 9.84151 GPRESSAVG: 4086800 2.74825 54.5418 -28.83 54.9371 2.89769 -18.9505 -27.2864 -19.8037 9.48642 TIMING: 4086800 CPU: 12288.2, 0.00296611/step Wall: 12288.2, 0.00296611/step, 0.752404 hours remaining, 208.687500 MB of memory in use. ENERGY: 4086800 775.6358 2089.6131 1919.7271 116.8001 -206209.4565 17814.0183 0.0000 0.0000 34402.1353 -149091.5268 300.4424 -183493.6621 -148994.0600 300.1392 -96.8004 -62.1585 556512.4534 4.9803 5.0441 PRESSURE: 4087000 -128.498 5.10979 8.97163 5.1085 -181.688 71.1211 8.97239 71.1194 19.9649 GPRESSURE: 4087000 -59.8974 67.7749 -17.6886 23.2598 -129.855 -10.5294 -36.0821 118.921 -7.70422 PRESSAVG: 4087000 -29.2327 20.6613 -53.6193 20.6613 19.779 -35.8019 -53.6193 -35.8018 40.5346 GPRESSAVG: 4087000 -29.9811 19.3382 -53.1702 21.0629 20.7975 -36.8154 -52.0803 -35.8088 40.1486 TIMING: 4087000 CPU: 12288.8, 0.00299592/step Wall: 12288.8, 0.00299592/step, 0.759799 hours remaining, 208.687500 MB of memory in use. ENERGY: 4087000 739.1044 2114.9947 1955.8938 109.8802 -206007.0362 17664.5973 0.0000 0.0000 34244.2546 -149178.3113 299.0636 -183422.5658 -149073.9019 300.0704 -96.7401 -65.8188 557544.7370 10.3603 10.3217 PRESSURE: 4087200 -107.296 78.1051 -14.3202 78.1049 -228.512 -10.2803 -14.3205 -10.2797 -192.689 GPRESSURE: 4087200 -159.379 41.1691 -38.428 107.337 -177.056 52.3771 55.2715 -71.4345 -107.828 PRESSAVG: 4087200 39.8717 44.8051 45.1921 44.805 -5.98912 -2.10026 45.192 -2.10028 -24.2801 GPRESSAVG: 4087200 39.6956 43.8608 44.1302 44.0986 -5.91274 -3.4797 43.5534 -1.37097 -24.2948 TIMING: 4087200 CPU: 12289.4, 0.00296657/step Wall: 12289.4, 0.00296657/step, 0.752191 hours remaining, 208.687500 MB of memory in use. ENERGY: 4087200 794.0926 2157.4645 1929.8395 102.9872 -206276.2565 17704.4379 0.0000 0.0000 34231.9040 -149355.5309 298.9557 -183587.4349 -149262.5847 300.0954 -176.1656 -148.0875 557083.1014 3.2008 3.1627 PRESSURE: 4087400 -157.743 -77.9051 -182.106 -77.9047 -110.47 63.974 -182.108 63.9747 -59.8665 GPRESSURE: 4087400 -112.318 -89.179 -208.426 -99.9685 -102.451 28.6044 -189.84 96.626 -23.4136 PRESSAVG: 4087400 -59.9245 -16.4556 14.7728 -16.4555 23.1464 -65.7362 14.7728 -65.7362 41.9342 GPRESSAVG: 4087400 -58.4766 -15.1505 16.1148 -16.0295 22.3183 -64.4268 14.435 -68.8481 41.2357 TIMING: 4087400 CPU: 12290, 0.00294559/step Wall: 12290, 0.00294559/step, 0.746706 hours remaining, 208.687500 MB of memory in use. ENERGY: 4087400 730.3253 2111.2266 1908.9034 105.6406 -206214.5520 17670.9064 0.0000 0.0000 34472.1381 -149215.4116 301.0538 -183687.5497 -149117.8734 299.1918 -109.3598 -79.3944 556404.2257 1.7187 1.6924 PRESSURE: 4087600 -8.26975 -128.849 144.822 -128.849 -92.4265 -80.8525 144.821 -80.8537 41.7069 GPRESSURE: 4087600 -17.8742 -97.5596 60.7142 -212.498 -35.0812 -18.4754 92.9438 -183.674 101.159 PRESSAVG: 4087600 38.8478 -3.12391 35.5125 -3.12383 28.6231 -9.20833 35.5125 -9.20827 -58.348 GPRESSAVG: 4087600 37.3935 -1.51815 33.4595 -5.68391 28.4784 -9.20506 32.8187 -6.05055 -57.0776 TIMING: 4087600 CPU: 12290.6, 0.0029585/step Wall: 12290.6, 0.0029585/step, 0.749816 hours remaining, 208.687500 MB of memory in use. ENERGY: 4087600 738.8295 2076.3627 1946.3750 113.3899 -205885.4071 17471.5263 0.0000 0.0000 34339.0271 -149199.8966 299.8913 -183538.9237 -149104.3731 299.1817 -19.6631 16.0678 557588.0692 3.0410 2.9315 PRESSURE: 4087800 23.629 -46.4076 90.7111 -46.4075 58.872 -130.219 90.7103 -130.218 36.9183 GPRESSURE: 4087800 36.3649 -109.695 71.5741 48.6184 52.7142 -127.593 107.035 -143.609 126.835 PRESSAVG: 4087800 -33.6724 -54.091 12.3508 -54.091 20.7727 -27.3276 12.3509 -27.3276 29.4489 GPRESSAVG: 4087800 -33.7307 -55.9959 14.9537 -53.0224 20.4121 -27.5783 14.1866 -27.0374 29.6017 TIMING: 4087800 CPU: 12291.2, 0.00292983/step Wall: 12291.2, 0.00292983/step, 0.742386 hours remaining, 208.687500 MB of memory in use. ENERGY: 4087800 715.5727 2097.2795 1975.5500 104.5349 -206217.8108 17880.5962 0.0000 0.0000 34439.2352 -149005.0422 300.7664 -183444.2775 -148909.4381 300.5807 39.8064 71.9715 556717.7942 5.5164 5.4277 PRESSURE: 4088000 -214.799 26.387 55.7385 26.3864 -196.711 46.4297 55.7386 46.4297 -381.545 GPRESSURE: 4088000 -188.784 99.6465 93.5598 14.01 -179.771 70.4192 -24.653 28.367 -332.42 PRESSAVG: 4088000 23.4235 -6.68469 -26.3731 -6.68476 -4.25602 0.0177849 -26.3731 0.0177353 -18.7573 GPRESSAVG: 4088000 24.1252 -6.41777 -28.9729 -4.63826 -2.93212 0.519834 -23.5855 -0.569379 -20.5866 TIMING: 4088000 CPU: 12291.8, 0.00292811/step Wall: 12291.8, 0.00292811/step, 0.741789 hours remaining, 208.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4088000 747.2049 2130.7974 1966.8108 121.8089 -205504.4564 17318.9509 0.0000 0.0000 34275.9412 -148942.9424 299.3403 -183218.8837 -148837.9386 300.4598 -264.3515 -233.6582 558422.5992 0.1367 0.2022 PRESSURE: 4088200 -137.396 9.09535 -96.1844 9.09634 -159.789 -110.729 -96.1846 -110.732 -112.497 GPRESSURE: 4088200 -99.6203 140.546 -27.4799 -16.3515 -67.6597 -90.3384 -37.4736 -100.754 -131.292 PRESSAVG: 4088200 29.0162 -17.7532 10.3655 -17.7532 -0.589656 -23.9569 10.3655 -23.9569 1.68361 GPRESSAVG: 4088200 29.1218 -17.535 11.8598 -19.4483 -1.17906 -23.6949 9.45602 -24.1054 2.71273 TIMING: 4088200 CPU: 12292.4, 0.00295238/step Wall: 12292.4, 0.00295238/step, 0.747773 hours remaining, 208.687500 MB of memory in use. ENERGY: 4088200 737.8703 2140.5372 1943.8519 123.5549 -205734.3633 17427.7054 0.0000 0.0000 34539.3511 -148821.4924 301.6407 -183360.8435 -148722.1634 300.6700 -136.5604 -99.5241 557793.5062 10.0367 10.2185 LDB: ============= START OF LOAD BALANCING ============== 12295.9 LDB: ============== END OF LOAD BALANCING =============== 12295.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12295.9 LDB: ============= START OF LOAD BALANCING ============== 12296.2 LDB: Largest compute 4773 load 0.028406 is 24.0% of average load 0.118255 LDB: Average compute 0.001718 is 1.5% of average load 0.118255 LDB: TIME 12296.2 LOAD: AVG 0.118255 MAX 0.201534 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.512 MB LDB: TIME 12296.2 LOAD: AVG 0.118255 MAX 0.201534 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.715 MB LDB: TIME 12296.2 LOAD: AVG 0.118255 MAX 0.201534 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12296.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12296.2 PRESSURE: 4088400 30.0023 187.477 -20.2107 187.477 -376.467 -91.8812 -20.2099 -91.8803 161.223 GPRESSURE: 4088400 40.6738 120.477 -63.4388 227.229 -351.597 -19.9478 11.2488 -118.346 231.331 PRESSAVG: 4088400 1.26538 31.6882 -25.9171 31.6882 -25.5544 -39.9001 -25.917 -39.9001 19.8805 GPRESSAVG: 4088400 0.92471 32.3065 -25.0483 30.9285 -26.1417 -40.3691 -25.9348 -39.9095 20.483 TIMING: 4088400 CPU: 12293, 0.00302364/step Wall: 12293, 0.00302364/step, 0.765654 hours remaining, 209.257812 MB of memory in use. ENERGY: 4088400 766.7023 2055.7981 1934.8086 101.0941 -205807.7572 17677.4914 0.0000 0.0000 34305.4507 -148966.4119 299.5980 -183271.8627 -148869.8687 300.5856 -61.7471 -26.5309 558313.7053 -1.4695 -1.5780 PRESSURE: 4088600 -75.474 -13.6446 82.2628 -13.6448 30.1706 42.401 82.2629 42.4 -10.4969 GPRESSURE: 4088600 -26.2978 -110.406 89.0306 -8.28248 6.88174 67.7968 74.9547 -23.518 67.4527 PRESSAVG: 4088600 34.6497 -16.0395 -17.0126 -16.0395 -21.7896 2.77529 -17.0127 2.7753 19.5875 GPRESSAVG: 4088600 35.7248 -16.6334 -16.4595 -14.2471 -22.1079 3.29783 -16.4189 1.3611 19.2923 TIMING: 4088600 CPU: 12293.6, 0.00296912/step Wall: 12293.6, 0.00296912/step, 0.751681 hours remaining, 209.460938 MB of memory in use. ENERGY: 4088600 755.6937 1993.0706 1937.0457 131.6179 -206175.9681 17780.8043 0.0000 0.0000 34582.6547 -148995.0811 302.0189 -183577.7359 -148888.9571 300.6876 -18.6001 16.0122 558637.1680 10.8159 10.9697 PRESSURE: 4088800 10.4676 -68.0382 -68.9494 -68.0392 -233.933 -35.953 -68.9487 -35.9537 244.167 GPRESSURE: 4088800 26.7948 -123.761 -57.2536 -155.135 -211.819 -64.1386 -78.1157 -12.0716 300.353 PRESSAVG: 4088800 58.6957 11.2076 -8.10583 11.2075 -60.022 41.8254 -8.10592 41.8253 26.3397 GPRESSAVG: 4088800 58.0859 12.7307 -9.6318 9.61256 -59.1716 41.5993 -7.59272 43.2438 26.0298 TIMING: 4088800 CPU: 12294.1, 0.00294585/step Wall: 12294.1, 0.00294585/step, 0.745627 hours remaining, 209.460938 MB of memory in use. ENERGY: 4088800 713.3585 2114.2808 1919.1992 113.1237 -205780.9433 17703.4829 0.0000 0.0000 34331.3415 -148886.1568 299.8241 -183217.4983 -148799.4407 300.4445 6.9005 38.4429 559251.7861 8.3378 8.3147 PRESSURE: 4089000 -36.9046 17.2632 -12.7293 17.2622 20.759 -5.51675 -12.7294 -5.51578 26.176 GPRESSURE: 4089000 -8.09317 -1.17867 41.742 61.8264 51.0321 -74.2089 -15.4795 60.6873 69.2109 PRESSAVG: 4089000 -22.9066 1.894 1.75394 1.89402 -40.6214 -52.6829 1.75391 -52.6829 63.4321 GPRESSAVG: 4089000 -24.5803 1.87636 0.775021 2.05508 -40.1343 -54.9923 0.748788 -52.7243 64.6952 TIMING: 4089000 CPU: 12294.7, 0.00296333/step Wall: 12294.7, 0.00296333/step, 0.749886 hours remaining, 209.460938 MB of memory in use. ENERGY: 4089000 725.3550 2086.1253 1956.8395 123.7186 -206177.6713 17918.0993 0.0000 0.0000 34476.6646 -148890.8690 301.0933 -183367.5336 -148795.9028 300.4840 3.3434 37.3833 558678.9777 -0.0320 -0.0065 PRESSURE: 4089200 275.817 50.0654 92.1729 50.0657 -201.404 58.122 92.1723 58.1202 115.492 GPRESSURE: 4089200 211.419 27.9884 121.347 123.33 -99.4478 92.0266 129.131 55.5295 170.147 PRESSAVG: 4089200 -24.8059 26.8947 52.2852 26.8947 -6.36058 27.2246 52.2852 27.2247 34.1001 GPRESSAVG: 4089200 -24.6878 26.2407 55.057 27.723 -6.43231 31.232 53.4439 26.0171 34.3518 TIMING: 4089200 CPU: 12295.3, 0.00295469/step Wall: 12295.3, 0.00295469/step, 0.747536 hours remaining, 209.460938 MB of memory in use. ENERGY: 4089200 701.9630 2140.1953 1942.0718 117.8179 -206088.5410 17762.3631 0.0000 0.0000 34542.2184 -148881.9115 301.6658 -183424.1299 -148792.3161 300.7196 63.3014 94.0393 556911.4333 0.9779 1.0772 PRESSURE: 4089400 92.2565 39.6134 31.3292 39.6149 168.997 41.7814 31.3299 41.7834 118.989 GPRESSURE: 4089400 82.5177 78.3155 -0.898381 35.0557 235.105 -27.2126 35.912 88.1685 144.268 PRESSAVG: 4089400 -16.8687 26.504 -0.627988 26.504 -22.4193 -25.7924 -0.627969 -25.7925 57.1738 GPRESSAVG: 4089400 -15.4851 26.5915 -2.5412 25.37 -22.8595 -28.2169 -0.803248 -25.9169 55.9664 TIMING: 4089400 CPU: 12295.9, 0.0029847/step Wall: 12295.9, 0.0029847/step, 0.754963 hours remaining, 209.460938 MB of memory in use. ENERGY: 4089400 725.8730 2124.4469 1902.5174 115.9323 -206523.4576 18158.4278 0.0000 0.0000 34468.9282 -149027.3321 301.0257 -183496.2602 -148927.9943 300.2407 126.7476 153.9637 557649.6605 5.9619 5.8739 PRESSURE: 4089600 -131.406 4.77622 -49.5697 4.77617 72.8232 -8.42649 -49.5693 -8.42617 -57.6634 GPRESSURE: 4089600 -63.8729 -28.3082 -22.8242 35.058 58.8928 -24.5822 51.2825 55.6856 -1.41606 PRESSAVG: 4089600 -4.93843 -26.8224 -21.0323 -26.8225 31.9309 -4.30794 -21.0323 -4.30788 9.56439 GPRESSAVG: 4089600 -6.03547 -25.1985 -20.6775 -27.7863 32.8288 -3.77864 -21.5166 -3.85564 9.71574 TIMING: 4089600 CPU: 12296.5, 0.002961/step Wall: 12296.5, 0.002961/step, 0.748804 hours remaining, 209.460938 MB of memory in use. ENERGY: 4089600 752.5141 2093.9090 1914.9390 107.4927 -206311.0585 17672.6402 0.0000 0.0000 34573.5326 -149196.0309 301.9393 -183769.5636 -149095.2531 299.9486 -38.7486 -2.1321 556773.7382 12.1856 12.1697 PRESSURE: 4089800 -196.582 -6.70985 -76.9795 -6.70864 -299.508 89.0288 -76.9778 89.0294 -198.744 GPRESSURE: 4089800 -142.059 -52.0574 -23.4496 -8.58033 -313.86 92.9417 -144.201 40.0047 -130.4 PRESSAVG: 4089800 37.5684 -3.11519 -7.63483 -3.11514 -54.7295 32.0518 -7.63481 32.0518 -6.70907 GPRESSAVG: 4089800 38.1648 -3.39547 -7.29893 -1.61689 -57.3601 31.9711 -7.17263 32.5887 -4.98428 TIMING: 4089800 CPU: 12297.1, 0.00296191/step Wall: 12297.1, 0.00296191/step, 0.748869 hours remaining, 209.460938 MB of memory in use. ENERGY: 4089800 749.3264 2123.6961 1945.4004 111.9961 -205906.5958 17522.2219 0.0000 0.0000 34276.1899 -149177.7648 299.3425 -183453.9547 -149079.8216 299.5252 -231.6112 -195.4397 557734.8136 -7.9567 -8.0599 PRESSURE: 4090000 59.7066 -92.0992 3.18242 -92.1005 161.951 27.3933 3.18377 27.3937 312.007 GPRESSURE: 4090000 85.9544 -102.884 60.3345 24.6326 244.727 125.421 11.8231 -46.0948 295.478 PRESSAVG: 4090000 -10.3911 4.37416 64.8824 4.37414 12.3427 -20.0485 64.8824 -20.0484 27.9722 GPRESSAVG: 4090000 -11.607 3.63073 64.5078 5.01353 14.8778 -17.2072 65.4624 -22.6346 26.3963 TIMING: 4090000 CPU: 12297.7, 0.00295628/step Wall: 12297.7, 0.00295628/step, 0.747281 hours remaining, 209.460938 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: 4090000 727.1287 2129.2822 1903.3166 109.5219 -206600.3332 18089.8909 0.0000 0.0000 34284.4650 -149356.7278 299.4148 -183641.1929 -149263.8572 299.4374 177.8883 208.7199 555940.7099 9.9746 9.8891 PRESSURE: 4090200 107.933 24.65 245.348 24.6495 -135.584 4.84478 245.346 4.84414 157.994 GPRESSURE: 4090200 129.304 7.44396 181.957 2.14901 -98.9248 15.008 341.783 -35.4892 186.791 PRESSAVG: 4090200 45.0608 18.61 53.0699 18.61 -2.85275 7.18423 53.0699 7.184 -29.7674 GPRESSAVG: 4090200 46.3789 17.4913 52.551 18.0801 -4.57906 5.51824 52.4916 8.04248 -29.4864 TIMING: 4090200 CPU: 12298.3, 0.00295278/step Wall: 12298.3, 0.00295278/step, 0.746234 hours remaining, 209.460938 MB of memory in use. ENERGY: 4090200 762.9832 2076.9268 1934.9711 112.3657 -206530.7999 18006.2952 0.0000 0.0000 34276.3658 -149360.8921 299.3440 -183637.2579 -149256.8002 298.8283 43.4476 72.3902 557435.0252 4.1469 4.1045 PRESSURE: 4090400 101.771 47.7677 12.1205 47.7661 2.4114 48.1856 12.1197 48.1868 -390.74 GPRESSURE: 4090400 133.894 81.0857 -2.65569 50.4929 26.2074 67.0163 96.3147 71.0506 -340.568 PRESSAVG: 4090400 90.9248 9.99069 6.03772 9.99059 -61.2067 1.95524 6.0377 1.95514 -16.842 GPRESSAVG: 4090400 89.8147 12.6609 5.92833 7.19431 -60.805 1.2182 4.69511 2.56228 -15.8272 TIMING: 4090400 CPU: 12298.9, 0.00299999/step Wall: 12298.9, 0.00299999/step, 0.757997 hours remaining, 209.460938 MB of memory in use. ENERGY: 4090400 760.4051 2059.5712 1938.1145 101.5832 -206325.1341 17841.4029 0.0000 0.0000 34365.3825 -149258.6747 300.1214 -183624.0573 -149162.5243 299.9491 -95.5193 -60.1556 558387.4554 4.2920 4.3942 PRESSURE: 4090600 318.598 167.173 -4.34439 167.174 -18.0712 157.568 -4.34487 157.567 32.4701 GPRESSURE: 4090600 307.592 177.371 -44.2373 87.1549 23.3921 104.128 -1.691 197.763 102.412 PRESSAVG: 4090600 40.2811 9.9188 42.7115 9.91875 8.6304 29.1697 42.7115 29.1698 -52.8747 GPRESSAVG: 4090600 40.332 9.84821 42.6369 11.2677 8.393 29.2 42.174 27.9098 -52.682 TIMING: 4090600 CPU: 12299.5, 0.00299007/step Wall: 12299.5, 0.00299007/step, 0.755326 hours remaining, 209.460938 MB of memory in use. ENERGY: 4090600 729.5380 2086.3282 1937.5294 116.0693 -206663.1887 18125.4381 0.0000 0.0000 34223.2660 -149445.0199 298.8803 -183668.2858 -149345.6121 299.2418 110.9990 144.4656 556409.2875 -1.3211 -1.3190 PRESSURE: 4090800 -129.947 -69.408 87.393 -69.4079 -70.0284 -87.25 87.3921 -87.2491 -144.291 GPRESSURE: 4090800 -90.4953 -35.5381 148.594 -129.756 -43.2126 -116.144 116.176 -74.4339 -106.152 PRESSAVG: 4090800 -40.4634 -2.70517 3.91393 -2.70513 27.902 9.08747 3.91394 9.08741 -4.98123 GPRESSAVG: 4090800 -39.645 -4.47955 3.69081 -2.63404 27.501 9.55617 6.93849 9.36059 -5.12265 TIMING: 4090800 CPU: 12300.1, 0.00296558/step Wall: 12300.1, 0.00296558/step, 0.748973 hours remaining, 209.460938 MB of memory in use. ENERGY: 4090800 735.2066 2072.0208 1916.0775 115.5649 -206145.9788 17747.2704 0.0000 0.0000 34262.6087 -149297.2300 299.2239 -183559.8387 -149206.9334 298.4992 -114.7555 -79.9532 557590.5230 -5.8476 -5.7555 PRESSURE: 4091000 125.029 -124.874 60.8342 -124.873 -8.24308 119.734 60.8358 119.734 -93.5287 GPRESSURE: 4091000 195.903 -106.203 35.4636 -17.202 22.1447 191.939 34.9282 87.8297 -85.9932 PRESSAVG: 4091000 12.0025 -9.59757 12.788 -9.59749 26.4922 43.4674 12.788 43.4675 -64.533 GPRESSAVG: 4091000 12.7528 -7.96118 14.7884 -9.50624 26.7051 43.839 11.6959 43.5164 -65.305 TIMING: 4091000 CPU: 12300.7, 0.00295016/step Wall: 12300.7, 0.00295016/step, 0.744915 hours remaining, 209.460938 MB of memory in use. ENERGY: 4091000 767.0821 2076.6409 1944.7372 121.9754 -205937.9273 17649.1453 0.0000 0.0000 34140.4638 -149237.8826 298.1572 -183378.3464 -149142.5269 298.7881 7.7524 44.0181 556870.9277 -8.6794 -8.6157 PRESSURE: 4091200 103.614 74.1642 114.435 74.1641 -66.8064 -150.532 114.436 -150.532 -56.8532 GPRESSURE: 4091200 133.914 9.73053 140.525 151.366 -10.0481 -128.322 113.578 -109.339 -41.8463 PRESSAVG: 4091200 11.3343 -43.0575 14.5435 -43.0575 11.6664 10.7921 14.5434 10.7918 -28.2415 GPRESSAVG: 4091200 11.2896 -43.9834 14.8243 -42.3608 12.5068 9.94771 12.1085 11.2634 -28.8389 TIMING: 4091200 CPU: 12301.3, 0.00296151/step Wall: 12301.3, 0.00296151/step, 0.747616 hours remaining, 209.460938 MB of memory in use. ENERGY: 4091200 772.0200 2059.8304 1940.8424 118.0331 -206057.6270 17714.8260 0.0000 0.0000 34129.3122 -149322.7629 298.0598 -183452.0751 -149228.3904 299.2248 -6.6818 27.3399 556639.8216 -1.7469 -1.6808 PRESSURE: 4091400 200.627 50.0183 -73.406 50.0173 166.484 16.9944 -73.407 16.9941 -122.499 GPRESSURE: 4091400 207.191 57.8601 -102.386 53.4724 198.551 49.7259 -22.8881 46.5602 -58.8541 PRESSAVG: 4091400 -4.04997 -1.37785 -26.0563 -1.37783 4.16678 -1.1834 -26.0564 -1.18339 5.10702 GPRESSAVG: 4091400 -4.14963 -1.36623 -28.1006 -0.65799 3.06993 -2.20894 -25.2659 1.07753 6.18655 TIMING: 4091400 CPU: 12301.9, 0.00298146/step Wall: 12301.9, 0.00298146/step, 0.752488 hours remaining, 209.460938 MB of memory in use. ENERGY: 4091400 738.8365 2075.8391 1930.9728 96.1633 -206026.2182 17636.8549 0.0000 0.0000 34165.2900 -149382.2616 298.3740 -183547.5516 -149285.5850 299.1123 81.5372 115.6294 554143.7879 1.7413 1.7023 PRESSURE: 4091600 -267.548 38.4235 -42.5046 38.4225 95.8761 -51.1999 -42.505 -51.1997 0.625838 GPRESSURE: 4091600 -215.256 21.8102 -53.9373 22.9243 121.152 -40.7572 -34.511 23.397 11.6976 PRESSAVG: 4091600 5.07212 -67.2154 -49.1363 -67.2155 37.2548 6.72341 -49.1362 6.72331 -23.7583 GPRESSAVG: 4091600 4.32029 -67.133 -48.9471 -68.018 37.2106 7.28541 -47.3454 5.14731 -23.1038 TIMING: 4091600 CPU: 12302.5, 0.00295763/step Wall: 12302.5, 0.00295763/step, 0.746307 hours remaining, 209.460938 MB of memory in use. ENERGY: 4091600 765.3131 2046.6993 1930.3818 112.3470 -206066.4960 17720.6197 0.0000 0.0000 34179.0345 -149312.1005 298.4940 -183491.1350 -149227.5149 299.1525 -57.0153 -27.4689 556816.3059 6.1895 6.1424 PRESSURE: 4091800 78.2282 40.6068 56.04 40.6058 -108.321 -90.8997 56.0402 -90.9003 324.39 GPRESSURE: 4091800 125.21 -15.3008 63.9427 129.375 -62.7169 -120.419 54.4906 -9.70299 321.818 PRESSAVG: 4091800 -62.164 -9.47178 23.9064 -9.47176 -15.635 -52.5317 23.9064 -52.5316 55.1016 GPRESSAVG: 4091800 -62.5894 -8.95039 24.1098 -8.70111 -14.2053 -52.8258 21.8421 -49.8043 54.025 TIMING: 4091800 CPU: 12303, 0.00295815/step Wall: 12303, 0.00295815/step, 0.746276 hours remaining, 209.460938 MB of memory in use. ENERGY: 4091800 737.7876 2105.4601 1910.5840 130.7126 -206136.2633 17890.5960 0.0000 0.0000 33857.1077 -149504.0153 295.6825 -183361.1230 -149407.7495 298.2426 98.0990 128.1038 555684.8271 -7.5658 -7.5899 PRESSURE: 4092000 155.255 138.475 177.745 138.477 11.3159 171.726 177.744 171.726 151.002 GPRESSURE: 4092000 199.14 121.236 201.821 86.5784 16.1614 196.96 175.728 202.278 203.133 PRESSAVG: 4092000 -35.0015 13.5315 -5.98202 13.5314 17.1088 60.6545 -5.98208 60.6544 72.4268 GPRESSAVG: 4092000 -32.7251 12.0759 -4.92263 13.9666 15.5076 59.0435 -6.17632 58.0599 71.4071 TIMING: 4092000 CPU: 12303.6, 0.00296692/step Wall: 12303.6, 0.00296692/step, 0.748323 hours remaining, 209.460938 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: 4092000 763.4296 2085.7758 1929.4589 119.8874 -206792.8961 18046.3356 0.0000 0.0000 34327.1364 -149520.8723 299.7874 -183848.0087 -149424.4740 298.6377 105.8578 139.4781 554900.5437 18.1780 18.0632 PRESSURE: 4092200 11.2041 -42.6773 120.775 -42.6769 222.87 66.3934 120.775 66.3935 17.5263 GPRESSURE: 4092200 13.0467 28.9775 168.706 37.1529 262.41 93.8624 71.4304 80.0743 76.3773 PRESSAVG: 4092200 19.0867 18.2048 44.2673 18.2048 63.031 26.4655 44.2672 26.4655 -61.2034 GPRESSAVG: 4092200 17.2194 18.2792 43.9589 16.7716 63.1997 29.0083 44.0284 26.9 -58.8181 TIMING: 4092200 CPU: 12304.2, 0.00296257/step Wall: 12304.2, 0.00296257/step, 0.747063 hours remaining, 209.460938 MB of memory in use. ENERGY: 4092200 736.6932 2069.5320 1903.8948 117.1682 -206487.7213 17987.7889 0.0000 0.0000 34280.1422 -149392.5019 299.3770 -183672.6442 -149294.9031 298.4491 83.8667 117.2781 558012.5811 6.9714 7.2003 LDB: ============= START OF LOAD BALANCING ============== 12307.8 LDB: ============== END OF LOAD BALANCING =============== 12307.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12307.8 LDB: ============= START OF LOAD BALANCING ============== 12308.1 LDB: Largest compute 4773 load 0.027475 is 23.2% of average load 0.118184 LDB: Average compute 0.001726 is 1.5% of average load 0.118184 LDB: TIME 12308.1 LOAD: AVG 0.118184 MAX 0.205121 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.867 MB LDB: TIME 12308.1 LOAD: AVG 0.118184 MAX 0.205121 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.07 MB LDB: TIME 12308.1 LOAD: AVG 0.118184 MAX 0.205121 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.07 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12308.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12308.1 PRESSURE: 4092400 79.1997 6.85813 74.7796 6.85897 -206.07 -60.0018 74.7783 -60.0028 -283.812 GPRESSURE: 4092400 105.604 -26.9025 28.2076 -19.0864 -155.939 -31.5328 5.24163 -24.6145 -265.307 PRESSAVG: 4092400 0.224691 37.7597 -17.8142 37.7597 1.3782 -22.3396 -17.8143 -22.3396 -14.9908 GPRESSAVG: 4092400 0.72906 40.1624 -17.7474 36.5208 1.77884 -25.0763 -17.7684 -20.4581 -15.6222 TIMING: 4092400 CPU: 12304.8, 0.00305187/step Wall: 12304.8, 0.00305187/step, 0.769411 hours remaining, 208.687500 MB of memory in use. ENERGY: 4092400 688.8181 2121.4454 1925.7885 104.4044 -206080.6372 17496.7772 0.0000 0.0000 34308.7334 -149434.6702 299.6267 -183743.4036 -149331.5346 298.7277 -136.8939 -105.2141 557355.1624 -4.4626 -4.3714 PRESSURE: 4092600 -93.649 54.3207 -1.44649 54.3184 -197.884 -153.158 -1.44752 -153.157 -72.3091 GPRESSURE: 4092600 -67.1051 -41.9088 -9.01917 81.3163 -156.125 -139.192 2.44617 -164.401 -48.7954 PRESSAVG: 4092600 45.6755 12.9539 0.748715 12.9539 -13.822 -95.873 0.74874 -95.8731 -52.8961 GPRESSAVG: 4092600 44.9955 8.98619 -0.0985001 14.9294 -14.1859 -93.9097 1.96732 -97.4048 -52.4844 TIMING: 4092600 CPU: 12305.4, 0.00296363/step Wall: 12305.4, 0.00296363/step, 0.747 hours remaining, 208.890625 MB of memory in use. ENERGY: 4092600 720.4390 2086.8856 1903.2087 109.7846 -206177.5944 17706.2243 0.0000 0.0000 34199.7651 -149451.2870 298.6751 -183651.0521 -149351.4830 298.3395 -121.2806 -90.6751 559048.2849 -7.0142 -7.2250 PRESSURE: 4092800 -176.486 167.079 -143.443 167.078 -70.0756 -325.453 -143.444 -325.452 -26.864 GPRESSURE: 4092800 -153.202 152.475 -46.5242 85.8028 -101.164 -375.721 -152.281 -179.023 91.3968 PRESSAVG: 4092800 16.6698 2.03938 -49.2103 2.03936 -23.9458 -68.8336 -49.2102 -68.8337 -23.0949 GPRESSAVG: 4092800 17.1468 2.43101 -49.0429 2.95774 -23.8245 -70.091 -49.5431 -69.7857 -23.43 TIMING: 4092800 CPU: 12306, 0.00293505/step Wall: 12306, 0.00293505/step, 0.739632 hours remaining, 208.890625 MB of memory in use. ENERGY: 4092800 785.2062 2057.3722 1926.0516 116.0291 -206592.5887 17861.8888 0.0000 0.0000 34408.7587 -149437.2820 300.5002 -183846.0408 -149341.7034 298.2656 -91.1419 -54.3233 557501.3949 -10.1237 -10.0359 PRESSURE: 4093000 152.878 63.2637 -62.8678 63.2649 -22.9571 21.9261 -62.868 21.926 238.918 GPRESSURE: 4093000 140.884 79.1718 -125.298 12.5855 18.6444 30.8406 -69.2419 107.903 306.227 PRESSAVG: 4093000 -60.5198 -34.2496 -58.2195 -34.2496 42.7234 -27.4936 -58.2195 -27.4936 14.1371 GPRESSAVG: 4093000 -60.7799 -33.3185 -57.8134 -34.3824 42.397 -26.3496 -58.2997 -28.411 14.1 TIMING: 4093000 CPU: 12306.6, 0.00295086/step Wall: 12306.6, 0.00295086/step, 0.743453 hours remaining, 208.890625 MB of memory in use. ENERGY: 4093000 769.0599 2062.0776 1932.8178 111.5232 -206801.0662 18229.7991 0.0000 0.0000 34091.9402 -149603.8485 297.7334 -183695.7886 -149507.5430 298.1904 122.9464 155.2519 558321.2721 -1.2197 -1.4276 PRESSURE: 4093200 43.599 -35.7022 22.6003 -35.7004 55.716 -250.363 22.6 -250.363 -80.0254 GPRESSURE: 4093200 61.2584 -9.62545 -63.0664 -4.44973 110.013 -302.929 23.4576 -242.454 -32.7787 PRESSAVG: 4093200 49.4049 55.4423 -12.0895 55.4423 23.0345 -28.9872 -12.0896 -28.9872 -10.4237 GPRESSAVG: 4093200 49.393 55.817 -12.7043 54.8717 23.8678 -28.7187 -13.8928 -25.8782 -11.4794 TIMING: 4093200 CPU: 12307.2, 0.00295243/step Wall: 12307.2, 0.00295243/step, 0.743684 hours remaining, 208.890625 MB of memory in use. ENERGY: 4093200 728.6556 2080.1650 1934.8348 111.9442 -206475.3074 18030.4092 0.0000 0.0000 34195.7114 -149393.5872 298.6397 -183589.2986 -149299.7247 298.8962 6.4299 46.1641 557678.2837 20.6719 20.5938 PRESSURE: 4093400 201.68 15.8233 -72.0929 15.8237 100.652 114.331 -72.0927 114.332 57.3141 GPRESSURE: 4093400 260.012 -3.28753 -21.0529 22.2213 104.414 103.467 -64.3079 105.016 94.8779 PRESSAVG: 4093400 -10.903 -47.7611 -11.7868 -47.7611 -18.5606 -31.0504 -11.7868 -31.0505 59.9482 GPRESSAVG: 4093400 -10.6074 -49.0751 -10.1983 -46.9625 -19.0943 -31.7654 -10.3967 -35.3733 60.2578 TIMING: 4093400 CPU: 12307.8, 0.00295054/step Wall: 12307.8, 0.00295054/step, 0.743043 hours remaining, 208.890625 MB of memory in use. ENERGY: 4093400 736.2769 2127.3601 1944.7054 101.2311 -206352.8470 18004.8839 0.0000 0.0000 34098.0832 -149340.3064 297.7870 -183438.3896 -149244.8097 297.7902 119.8822 153.1013 556793.7767 10.1616 10.1854 PRESSURE: 4093600 49.5991 -129.605 -1.87965 -129.604 -50.5581 -63.2371 -1.87904 -63.2351 -53.8986 GPRESSURE: 4093600 42.6928 -168.489 -70.6754 -126.294 60.2826 -115.293 42.5098 -3.17064 -70.0209 PRESSAVG: 4093600 -53.6317 -45.4343 8.8721 -45.4343 -59.326 -34.1383 8.87209 -34.1384 45.6618 GPRESSAVG: 4093600 -53.2521 -46.0842 9.89608 -45.1932 -59.0331 -34.8947 7.55801 -31.0505 44.3908 TIMING: 4093600 CPU: 12308.4, 0.00296038/step Wall: 12308.4, 0.00296038/step, 0.745358 hours remaining, 208.890625 MB of memory in use. ENERGY: 4093600 723.9916 2087.6989 1911.1901 106.4203 -206403.2348 17928.3332 0.0000 0.0000 34144.5451 -149501.0555 298.1928 -183645.6006 -149414.3266 298.5494 -18.2859 10.9849 557245.6501 -22.4320 -22.6315 PRESSURE: 4093800 -110.209 -156.51 28.5198 -156.511 16.1562 67.551 28.5202 67.5493 -44.166 GPRESSURE: 4093800 -7.12401 -175.123 49.8148 -98.1217 57.1721 21.3714 37.9794 9.19229 -98.5818 PRESSAVG: 4093800 45.4753 -44.2999 29.5776 -44.2999 9.47917 -4.54285 29.5776 -4.54288 -22.4166 GPRESSAVG: 4093800 47.0866 -42.9754 25.7556 -44.1877 8.55084 -1.60261 31.3367 -7.41684 -22.6936 TIMING: 4093800 CPU: 12309, 0.002941/step Wall: 12309, 0.002941/step, 0.740314 hours remaining, 208.890625 MB of memory in use. ENERGY: 4093800 749.9412 2154.5737 1942.6347 100.7270 -206476.6326 17851.2786 0.0000 0.0000 34119.6116 -149557.8657 297.9751 -183677.4773 -149466.0604 298.3032 -46.0731 -16.1779 557554.7300 10.8460 10.9813 PRESSURE: 4094000 -25.2168 -45.8783 52.3451 -45.8782 -48.7601 -14.8375 52.3459 -14.8356 -146.754 GPRESSURE: 4094000 42.6828 -145.627 45.1736 52.0177 -70.1738 -65.9983 61.65 28.2161 -90.2573 PRESSAVG: 4094000 -33.9839 -36.281 28.1755 -36.281 73.9147 26.9432 28.1754 26.9431 -50.9248 GPRESSAVG: 4094000 -36.1937 -34.5993 30.1951 -37.5724 74.3879 25.6886 26.2001 28.1827 -49.8124 TIMING: 4094000 CPU: 12309.6, 0.00295688/step Wall: 12309.6, 0.00295688/step, 0.744148 hours remaining, 208.890625 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: 4094000 715.5082 2076.1199 1947.4811 114.5107 -206355.3546 17723.0385 0.0000 0.0000 34293.1840 -149485.5121 299.4909 -183778.6961 -149390.4695 298.1541 -73.5770 -39.2494 556232.6892 -3.6647 -3.8727 PRESSURE: 4094200 -170.952 -69.75 -56.371 -69.7499 -190.05 46.3467 -56.3705 46.3467 213.473 GPRESSURE: 4094200 -100.82 -121.987 -83.4993 -99.9734 -94.9197 67.988 -40.2264 50.5546 161.915 PRESSAVG: 4094200 -39.4182 -88.0297 -3.01816 -88.0297 -61.9341 -6.9596 -3.01813 -6.95961 86.6818 GPRESSAVG: 4094200 -38.9527 -89.5237 -2.97719 -88.2107 -61.8013 -7.96202 -1.37378 -4.72723 86.2887 TIMING: 4094200 CPU: 12310.2, 0.00294581/step Wall: 12310.2, 0.00294581/step, 0.741198 hours remaining, 208.890625 MB of memory in use. ENERGY: 4094200 741.9338 2096.2513 1972.2253 111.9720 -206398.3342 17761.9712 0.0000 0.0000 34241.6207 -149472.3599 299.0406 -183713.9806 -149378.9694 298.3433 -49.1762 -11.2750 556145.6198 -4.8902 -4.8218 PRESSURE: 4094400 181.34 -92.2108 67.6926 -92.2098 121.857 -251.436 67.6928 -251.436 188.043 GPRESSURE: 4094400 192.648 -94.4 20.4504 -170.795 208.21 -255.416 61.802 -182.147 196.914 PRESSAVG: 4094400 35.8122 -8.7378 81.1184 -8.73771 -27.9101 -56.9657 81.1184 -56.9657 2.06182 GPRESSAVG: 4094400 35.9417 -9.30007 78.4557 -7.6194 -28.0954 -56.5697 82.8082 -58.8122 2.64492 TIMING: 4094400 CPU: 12310.7, 0.00294966/step Wall: 12310.7, 0.00294966/step, 0.742002 hours remaining, 208.890625 MB of memory in use. ENERGY: 4094400 737.4490 2009.7293 1927.3133 101.8005 -206425.9199 17926.4167 0.0000 0.0000 34299.6302 -149423.5810 299.5472 -183723.2112 -149325.0673 298.6431 163.7467 199.2571 555657.3751 3.3213 3.4971 PRESSURE: 4094600 109.55 -42.5576 51.2413 -42.557 13.485 -38.2216 51.2408 -38.2204 212.191 GPRESSURE: 4094600 174.967 10.02 -17.1001 -26.9889 36.5917 -17.4097 100.545 -78.9886 216.899 PRESSAVG: 4094600 15.5744 -83.8626 29.5302 -83.8625 4.21555 -29.9004 29.5303 -29.9002 -35.2148 GPRESSAVG: 4094600 15.2051 -81.4005 29.5733 -86.3039 4.24309 -30.8896 28.3829 -30.1804 -35.0874 TIMING: 4094600 CPU: 12311.3, 0.00296095/step Wall: 12311.3, 0.00296095/step, 0.744678 hours remaining, 208.890625 MB of memory in use. ENERGY: 4094600 724.4025 2092.7641 1935.4365 104.7883 -206372.7579 17972.5368 0.0000 0.0000 33980.5946 -149562.2351 296.7610 -183542.8297 -149472.2215 298.3110 111.7422 142.8193 557072.3705 -5.1416 -5.2131 PRESSURE: 4094800 -134.047 -32.1634 -36.9218 -32.164 -133.151 -112.394 -36.9212 -112.393 -26.1351 GPRESSURE: 4094800 -98.4075 -18.959 -40.6501 -19.3432 -90.0785 -101.063 -41.2858 -114.996 -2.67139 PRESSAVG: 4094800 6.40437 -42.2856 -30.0066 -42.2856 -93.8564 -34.5383 -30.0066 -34.5382 67.7255 GPRESSAVG: 4094800 7.6115 -42.513 -28.8933 -41.2805 -94.2934 -33.1845 -30.7468 -34.6942 67.4018 TIMING: 4094800 CPU: 12311.9, 0.00297383/step Wall: 12311.9, 0.00297383/step, 0.747752 hours remaining, 208.890625 MB of memory in use. ENERGY: 4094800 736.3344 2100.4282 1931.4053 104.1514 -206242.9958 17571.0388 0.0000 0.0000 34264.9016 -149534.7361 299.2439 -183799.6377 -149442.9181 298.3670 -97.7777 -63.7191 556500.9151 -6.5755 -6.4267 PRESSURE: 4095000 -56.2489 -71.2093 65.5527 -71.2098 20.991 -88.3376 65.5526 -88.3373 -91.6151 GPRESSURE: 4095000 -32.1575 25.1735 44.4284 -187.013 52.2738 -46.6111 119.9 -151.012 -36.2551 PRESSAVG: 4095000 13.7492 -25.4887 -26.608 -25.4886 -0.843522 -0.657999 -26.608 -0.657917 -19.1572 GPRESSAVG: 4095000 13.2398 -25.3502 -29.6217 -26.7271 -0.393691 -0.971956 -25.5084 -2.38159 -19.2186 TIMING: 4095000 CPU: 12312.5, 0.00295802/step Wall: 12312.5, 0.00295802/step, 0.743613 hours remaining, 208.890625 MB of memory in use. ENERGY: 4095000 760.3220 2063.7456 1942.7052 113.1832 -206137.5753 17775.9169 0.0000 0.0000 34229.9876 -149251.7148 298.9390 -183481.7024 -149152.3680 299.1573 -42.2910 -5.3796 557192.5809 -2.0838 -2.1242 PRESSURE: 4095200 10.2309 -69.4149 191.241 -69.4146 -12.6378 7.93759 191.241 7.93655 -304.474 GPRESSURE: 4095200 25.7835 -45.8721 210.304 -90.4189 7.06168 10.4158 257.594 -47.3176 -247.203 PRESSAVG: 4095200 10.0639 -39.7231 -43.9439 -39.7231 44.4562 6.175 -43.9438 6.17506 -62.332 GPRESSAVG: 4095200 11.4977 -41.9711 -39.5234 -37.7857 43.8722 6.32725 -45.8587 7.90944 -63.0638 TIMING: 4095200 CPU: 12313.1, 0.00295707/step Wall: 12313.1, 0.00295707/step, 0.743211 hours remaining, 208.890625 MB of memory in use. ENERGY: 4095200 735.6102 2108.0933 1966.6569 110.7227 -205548.1668 17551.7469 0.0000 0.0000 33964.6311 -149110.7057 296.6216 -183075.3368 -149012.3871 299.4304 -102.2938 -71.4527 558875.3758 -2.6040 -2.5646 PRESSURE: 4095400 42.4901 -55.3259 -149.739 -55.3254 -376.425 82.523 -149.74 82.5223 -77.8733 GPRESSURE: 4095400 75.9227 -150.963 -62.1094 -96.9017 -333.595 148.005 -172.65 46.6778 -65.4539 PRESSAVG: 4095400 37.7844 -11.8591 -4.76445 -11.859 -12.9617 14.402 -4.76449 14.402 -40.1673 GPRESSAVG: 4095400 36.5608 -10.8882 -6.19182 -11.9084 -12.5854 15.6362 -3.9222 13.675 -39.3809 TIMING: 4095400 CPU: 12313.7, 0.00296852/step Wall: 12313.7, 0.00296852/step, 0.745924 hours remaining, 208.890625 MB of memory in use. ENERGY: 4095400 758.5781 2060.0816 1964.4535 118.7264 -206075.2560 17780.5730 0.0000 0.0000 34242.5910 -149150.2524 299.0491 -183392.8434 -149054.9048 299.4560 -137.2693 -107.7088 558433.2641 -5.1149 -5.1352 PRESSURE: 4095600 -91.9284 169.778 55.8152 169.779 -44.0152 58.1808 55.8148 58.1818 -177.288 GPRESSURE: 4095600 -12.7646 170.577 31.4898 214.276 -32.9668 23.2529 89.7663 -4.58961 -179.201 PRESSAVG: 4095600 9.10682 -15.2727 28.7499 -15.2726 -34.7349 -19.3905 28.7499 -19.3905 36.3081 GPRESSAVG: 4095600 10.4305 -14.3321 28.7599 -15.9269 -35.2361 -22.3913 28.3694 -18.3562 35.725 TIMING: 4095600 CPU: 12314.3, 0.0029534/step Wall: 12314.3, 0.0029534/step, 0.741961 hours remaining, 208.890625 MB of memory in use. ENERGY: 4095600 747.8800 2117.8231 1944.7907 115.3408 -205872.3479 17519.1708 0.0000 0.0000 34196.0259 -149231.3164 298.6424 -183427.3424 -149139.0891 298.8409 -104.4106 -74.9776 557578.8944 3.5600 3.6398 PRESSURE: 4095800 -59.6776 -101.316 72.7827 -101.316 -93.3447 -65.492 72.7829 -65.4914 -55.4897 GPRESSURE: 4095800 21.3948 -30.7798 75.9725 -112.849 -101.392 -7.001 79.6447 -119.339 -35.6727 PRESSAVG: 4095800 7.6151 -28.7211 18.7824 -28.7212 -0.147025 -38.0468 18.7823 -38.0467 -14.2674 GPRESSAVG: 4095800 7.18646 -30.6071 17.1956 -27.0561 0.0902369 -36.6434 19.125 -37.6151 -13.8953 TIMING: 4095800 CPU: 12314.9, 0.00297098/step Wall: 12314.9, 0.00297098/step, 0.746211 hours remaining, 208.890625 MB of memory in use. ENERGY: 4095800 756.8374 2122.9182 1938.3767 98.6109 -206362.9851 17880.2669 0.0000 0.0000 34244.5066 -149321.4684 299.0658 -183565.9750 -149232.6898 298.7621 -69.5040 -38.5566 557141.6949 -2.2664 -2.2062 PRESSURE: 4096000 7.95515 48.331 -135.381 48.3313 44.206 -28.5956 -135.381 -28.5979 184.781 GPRESSURE: 4096000 57.0674 -53.1956 -110.189 -51.6444 106.667 -28.6293 -80.4462 -120.537 171.594 PRESSAVG: 4096000 22.8552 -60.055 11.8277 -60.055 14.3642 44.7749 11.8276 44.7748 -9.71513 GPRESSAVG: 4096000 23.1013 -59.5462 12.5346 -61.0841 14.8648 47.0031 11.1672 42.8696 -10.1941 TIMING: 4096000 CPU: 12315.5, 0.00296665/step Wall: 12315.5, 0.00296665/step, 0.744959 hours remaining, 208.890625 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: 4096000 763.9393 2001.7225 1921.8780 104.3319 -206390.9552 17858.3170 0.0000 0.0000 34367.1744 -149373.5921 300.1371 -183740.7665 -149267.0038 299.2112 78.9806 111.7761 555504.4338 9.1681 9.2573 PRESSURE: 4096200 198.226 11.9497 -73.0521 11.9489 76.8273 -148.471 -73.0521 -148.469 151.39 GPRESSURE: 4096200 233.855 10.8101 -92.8655 33.6286 171.128 -101.807 -55.5714 -113.66 124.597 PRESSAVG: 4096200 -19.0552 13.848 1.45672 13.848 -10.9163 -30.0428 1.45666 -30.0428 -11.0034 GPRESSAVG: 4096200 -20.1946 12.9055 3.33974 13.8877 -9.86795 -29.4957 1.89239 -29.2273 -11.0453 TIMING: 4096200 CPU: 12316.1, 0.00295252/step Wall: 12316.1, 0.00295252/step, 0.741246 hours remaining, 208.890625 MB of memory in use. ENERGY: 4096200 788.3874 2058.4768 1935.0079 110.9862 -206854.2716 18321.2936 0.0000 0.0000 34400.9416 -149239.1781 300.4320 -183640.1197 -149135.3973 299.6244 142.1479 176.5265 556367.5453 -13.6583 -13.7026 LDB: ============= START OF LOAD BALANCING ============== 12319.6 LDB: ============== END OF LOAD BALANCING =============== 12319.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12319.6 LDB: ============= START OF LOAD BALANCING ============== 12319.9 LDB: Largest compute 4802 load 0.026744 is 22.6% of average load 0.118202 LDB: Average compute 0.001723 is 1.5% of average load 0.118202 LDB: TIME 12319.9 LOAD: AVG 0.118202 MAX 0.204204 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.711 MB LDB: TIME 12319.9 LOAD: AVG 0.118202 MAX 0.204204 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.711 MB LDB: TIME 12319.9 LOAD: AVG 0.118202 MAX 0.204204 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.711 MB LDB: ============== END OF LOAD BALANCING =============== 12319.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12319.9 PRESSURE: 4096400 -105.019 -42.2844 -20.0183 -42.2858 -7.96487 70.143 -20.0167 70.1413 -59.5735 GPRESSURE: 4096400 -101.289 -83.6648 -89.0207 19.9229 3.09911 100.695 -32.5272 -100.394 16.9289 PRESSAVG: 4096400 9.87979 -24.1736 9.42198 -24.1736 50.1475 44.6597 9.42198 44.6596 -51.1286 GPRESSAVG: 4096400 10.7466 -24.0734 7.03381 -24.0322 48.5739 42.2595 9.73575 46.4144 -50.4525 TIMING: 4096400 CPU: 12316.7, 0.00300636/step Wall: 12316.7, 0.00300636/step, 0.754597 hours remaining, 208.941406 MB of memory in use. ENERGY: 4096400 727.4872 2090.4909 1928.7089 102.5516 -206218.8773 17833.3281 0.0000 0.0000 34318.7853 -149217.5252 299.7145 -183536.3105 -149121.6810 299.7075 -57.5190 -27.0869 556241.2555 2.9662 2.9560 PRESSURE: 4096600 2.67811 19.1381 53.6318 19.1377 -125.549 14.0298 53.6315 14.0304 -63.3291 GPRESSURE: 4096600 71.1162 18.558 123.502 -19.4455 -139.103 -3.64413 -22.275 98.2364 -8.68916 PRESSAVG: 4096600 13.3506 -7.19489 -43.1934 -7.19481 28.4863 7.33468 -43.1934 7.33471 -33.0825 GPRESSAVG: 4096600 13.1222 -7.10113 -43.5173 -7.17558 30.4314 8.0741 -43.0327 7.10451 -35.1905 TIMING: 4096600 CPU: 12317.3, 0.00298331/step Wall: 12317.3, 0.00298331/step, 0.748646 hours remaining, 209.183594 MB of memory in use. ENERGY: 4096600 761.7068 2041.8308 1953.5932 112.4595 -206236.9360 17831.6383 0.0000 0.0000 34379.0983 -149156.6092 300.2412 -183535.7075 -149053.7813 299.4450 -62.0668 -25.5586 557649.3118 2.9181 2.7877 PRESSURE: 4096800 14.6392 -38.5214 55.0794 -38.5221 168.671 -20.2612 55.0787 -20.2607 45.1912 GPRESSURE: 4096800 72.2408 7.50325 62.4748 -81.3004 202.198 -29.7968 94.4148 16.9422 39.1519 PRESSAVG: 4096800 -18.247 1.05326 44.407 1.05337 -19.1776 44.4003 44.407 44.4003 37.4419 GPRESSAVG: 4096800 -18.4824 2.88015 45.3433 0.659476 -19.9619 42.7508 43.2495 43.296 37.3663 TIMING: 4096800 CPU: 12317.9, 0.00296835/step Wall: 12317.9, 0.00296835/step, 0.744727 hours remaining, 209.183594 MB of memory in use. ENERGY: 4096800 732.1495 2191.2126 1958.7470 109.5163 -206524.9241 18100.5016 0.0000 0.0000 34200.9020 -149231.8951 298.6850 -183432.7971 -149146.1472 299.2712 76.1672 104.5301 558613.4137 0.0058 -0.3593 PRESSURE: 4097000 211.573 135.67 30.0304 135.671 20.9111 -84.9798 30.0305 -84.9808 -136.829 GPRESSURE: 4097000 209.296 193.247 -88.9345 70.0686 59.7749 24.6045 39.4218 -137.061 -80.8263 PRESSAVG: 4097000 56.0813 41.5767 8.89475 41.5766 17.2511 55.0603 8.89472 55.0603 -73.3281 GPRESSAVG: 4097000 54.8213 42.0343 7.76502 40.588 17.2882 56.0707 9.73477 54.582 -72.8829 TIMING: 4097000 CPU: 12318.5, 0.00295255/step Wall: 12318.5, 0.00295255/step, 0.740599 hours remaining, 209.183594 MB of memory in use. ENERGY: 4097000 700.3862 2066.0434 1950.8995 126.8145 -206146.2255 17902.6410 0.0000 0.0000 34301.3130 -149098.1278 299.5619 -183399.4409 -149013.0624 299.3584 31.8849 62.7481 557560.5774 0.0014 -0.2578 PRESSURE: 4097200 -263.338 40.114 299.008 40.1143 290.497 15.4138 299.007 15.4138 -266.663 GPRESSURE: 4097200 -233.706 84.6071 366.076 -2.55761 350.587 -52.8534 236.461 -85.1551 -253.849 PRESSAVG: 4097200 -57.5014 -4.62018 19.519 -4.62011 65.3396 36.5616 19.519 36.5616 -5.02918 GPRESSAVG: 4097200 -55.8075 -4.599 22.2944 -4.01499 63.988 37.1428 19.1487 37.4519 -4.72168 TIMING: 4097200 CPU: 12319.1, 0.00298417/step Wall: 12319.1, 0.00298417/step, 0.748364 hours remaining, 209.183594 MB of memory in use. ENERGY: 4097200 762.0322 2070.9706 1937.1316 106.4124 -205852.2681 17711.8510 0.0000 0.0000 34136.2509 -149127.6194 298.1204 -183263.8703 -149040.3060 299.2448 -79.8344 -45.6558 559004.6082 0.9363 1.1530 PRESSURE: 4097400 -61.9003 38.6315 -147.676 38.6311 78.7653 -6.00777 -147.675 -6.00652 -11.4068 GPRESSURE: 4097400 -14.3035 143.655 -163.186 14.4187 87.3483 24.7407 -193.236 -3.68231 28.2719 PRESSAVG: 4097400 -31.4486 10.0931 73.105 10.0931 16.8179 15.7021 73.1049 15.7021 17.2709 GPRESSAVG: 4097400 -31.9291 8.33292 71.0049 11.5001 17.5283 17.0289 74.0547 14.3112 16.7253 TIMING: 4097400 CPU: 12319.7, 0.00296746/step Wall: 12319.7, 0.00296746/step, 0.744009 hours remaining, 209.183594 MB of memory in use. ENERGY: 4097400 712.9758 2051.7417 1974.7732 101.6831 -205886.5226 17709.9271 0.0000 0.0000 34177.1943 -149158.2274 298.4779 -183335.4217 -149064.1423 299.1095 1.8194 33.7722 559480.3661 0.8800 0.7748 PRESSURE: 4097600 89.3781 10.1514 45.0061 10.1492 -60.5858 -28.7115 45.0067 -28.7115 133.214 GPRESSURE: 4097600 104.362 58.4645 -11.0151 -14.1462 -41.2095 62.7815 90.2169 -45.9039 182.815 PRESSAVG: 4097600 -2.40862 -7.13806 33.6864 -7.13798 -33.3669 -45.9934 33.6864 -45.9935 -7.58273 GPRESSAVG: 4097600 -1.8402 -5.65835 31.9997 -10.1588 -33.2812 -46.3079 35.6833 -45.4993 -7.74729 TIMING: 4097600 CPU: 12320.2, 0.00294225/step Wall: 12320.2, 0.00294225/step, 0.737525 hours remaining, 209.183594 MB of memory in use. ENERGY: 4097600 729.6742 2061.3639 1958.1792 107.4814 -206345.8175 18030.7546 0.0000 0.0000 34400.3040 -149058.0602 300.4264 -183458.3643 -148965.0248 298.3632 54.0020 81.9891 557721.0874 -14.4528 -14.2896 PRESSURE: 4097800 48.3971 95.2051 141.956 95.2048 102.539 28.6646 141.956 28.6639 55.7261 GPRESSURE: 4097800 103.878 40.1335 132.597 118.939 92.4276 71.4059 118.173 -4.27402 113.2 PRESSAVG: 4097800 -91.4975 20.7494 15.0813 20.7494 -11.4023 -64.713 15.0813 -64.713 113.398 GPRESSAVG: 4097800 -91.4613 19.2869 15.5885 22.9133 -11.2179 -64.4103 13.8038 -64.9419 113.456 TIMING: 4097800 CPU: 12320.8, 0.00293087/step Wall: 12320.8, 0.00293087/step, 0.734508 hours remaining, 209.183594 MB of memory in use. ENERGY: 4097800 732.3584 2124.6362 1966.0849 124.0407 -206471.3826 18062.7285 0.0000 0.0000 34437.3698 -149024.1643 300.7501 -183461.5341 -148930.7280 299.9461 68.8874 103.1684 559016.6922 3.4993 3.5924 PRESSURE: 4098000 -205.466 25.5727 -25.0759 25.5737 185.235 26.8364 -25.0753 26.8363 -126.87 GPRESSURE: 4098000 -173.02 -13.7611 43.6185 1.66454 220.097 -88.0208 -40.6358 -24.5221 -101.561 PRESSAVG: 4098000 -12.0474 43.6889 17.9586 43.6889 10.9183 -9.00682 17.9586 -9.00673 -23.517 GPRESSAVG: 4098000 -12.9113 44.2323 19.8012 44.6367 11.4576 -11.3896 17.3244 -6.25646 -23.0678 TIMING: 4098000 CPU: 12321.4, 0.00296281/step Wall: 12321.4, 0.00296281/step, 0.742348 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: 4098000 733.9709 2132.0010 1937.8780 114.3375 -205881.6964 17710.6044 0.0000 0.0000 34182.3531 -149070.5515 298.5230 -183252.9045 -148978.7318 299.4739 -49.0338 -18.1612 559534.3617 -8.2154 -8.1738 PRESSURE: 4098200 -161.783 46.0141 -166.603 46.0149 -189.05 -18.8574 -166.603 -18.8575 -145.582 GPRESSURE: 4098200 -74.9268 58.3176 -193.904 -1.57837 -223.315 -74.3183 -278.47 -88.304 -107.795 PRESSAVG: 4098200 -40.0374 -24.501 77.487 -24.501 82.6331 -19.8586 77.487 -19.8585 -38.2104 GPRESSAVG: 4098200 -38.99 -24.2239 77.7656 -24.9101 82.6278 -18.6747 76.291 -21.0283 -39.17 TIMING: 4098200 CPU: 12322, 0.0029986/step Wall: 12322, 0.0029986/step, 0.751149 hours remaining, 209.308594 MB of memory in use. ENERGY: 4098200 766.7493 2045.7832 1935.9074 108.9967 -206093.2835 17753.7591 0.0000 0.0000 34468.0443 -149014.0436 301.0180 -183482.0879 -148911.0990 299.9134 -165.4718 -135.3456 557903.6760 1.4618 1.4893 PRESSURE: 4098400 51.677 -3.57287 33.7779 -3.57304 -87.0774 -5.93642 33.7774 -5.93534 99.4543 GPRESSURE: 4098400 112.45 -76.1494 52.3514 92.9912 -59.9428 -28.2497 54.3962 -17.6755 98.4326 PRESSAVG: 4098400 -6.49247 -28.2391 14.7345 -28.239 9.65597 -7.86831 14.7344 -7.86845 -9.82536 GPRESSAVG: 4098400 -6.61495 -29.6179 12.3834 -28.8646 9.21834 -7.33118 16.5439 -8.0044 -9.54972 TIMING: 4098400 CPU: 12322.6, 0.00297723/step Wall: 12322.6, 0.00297724/step, 0.745632 hours remaining, 209.308594 MB of memory in use. ENERGY: 4098400 762.4591 2110.3110 1936.5707 121.1124 -206090.5572 17834.4487 0.0000 0.0000 34321.3099 -149004.3453 299.7365 -183325.6552 -148906.4445 299.6716 21.3513 50.3134 557876.6813 -2.2206 -2.3154 PRESSURE: 4098600 2.03762 32.6553 157.367 32.6556 149.266 67.4517 157.368 67.4521 -10.4544 GPRESSURE: 4098600 -1.61201 -49.2337 125.187 30.842 168.165 65.9301 162.6 93.206 64.5387 PRESSAVG: 4098600 13.6409 -26.0329 -11.4219 -26.0329 -33.1339 -16.6432 -11.422 -16.6432 49.6463 GPRESSAVG: 4098600 13.0147 -25.4652 -9.71331 -26.7761 -32.3952 -17.3678 -10.5945 -14.4606 49.6597 TIMING: 4098600 CPU: 12323.2, 0.00298901/step Wall: 12323.2, 0.00298901/step, 0.748416 hours remaining, 209.308594 MB of memory in use. ENERGY: 4098600 740.2473 2073.1014 1949.4841 110.1937 -206292.2013 18032.0262 0.0000 0.0000 34317.2883 -149069.8603 299.7014 -183387.1486 -148977.3058 299.6459 46.9497 77.0304 558575.4352 10.0511 10.0931 PRESSURE: 4098800 116.893 38.2155 -118.687 38.2144 262.91 -15.7432 -118.686 -15.7425 281.609 GPRESSURE: 4098800 116.777 -16.5799 -165.607 37.4694 348.813 34.466 -121.745 -17.4443 277.409 PRESSAVG: 4098800 -47.1543 14.0487 -1.35822 14.0487 27.8522 41.0152 -1.35826 41.0154 22.6762 GPRESSAVG: 4098800 -46.9961 15.1708 -0.901394 14.4165 27.0759 41.3723 -3.76248 39.8728 22.6946 TIMING: 4098800 CPU: 12323.8, 0.00297548/step Wall: 12323.8, 0.00297548/step, 0.744863 hours remaining, 209.308594 MB of memory in use. ENERGY: 4098800 723.9707 2122.2738 1962.5940 114.3546 -206450.9499 18160.8870 0.0000 0.0000 34472.6655 -148894.2044 301.0584 -183366.8698 -148807.0971 299.8622 220.4707 247.6664 558410.9838 1.1247 0.9248 PRESSURE: 4099000 74.7693 78.8512 78.8871 78.8508 460.572 -41.4039 78.8873 -41.4032 65.9643 GPRESSURE: 4099000 129.559 95.0028 19.6985 50.1987 489.856 -92.012 42.8369 -41.6162 77.9347 PRESSAVG: 4099000 -3.56019 28.4581 -48.8678 28.458 -17.1527 -21.4822 -48.8678 -21.4822 13.9401 GPRESSAVG: 4099000 -4.44596 28.7782 -48.8056 28.6337 -16.5978 -19.7107 -50.0755 -23.2185 13.9402 TIMING: 4099000 CPU: 12324.4, 0.00297805/step Wall: 12324.4, 0.00297805/step, 0.74534 hours remaining, 209.308594 MB of memory in use. ENERGY: 4099000 771.6723 2153.3192 1909.7983 105.8376 -206393.3294 18032.0001 0.0000 0.0000 34372.5077 -149048.1941 300.1837 -183420.7018 -148948.8496 300.4091 200.4353 232.4499 556896.1192 -2.2576 -2.3679 PRESSURE: 4099200 -187.136 -34.6187 -39.0889 -34.6183 -59.9355 123.545 -39.0888 123.546 174.197 GPRESSURE: 4099200 -116.418 -58.1921 -89.9749 71.9015 31.9181 196.268 -55.0233 102.524 101.684 PRESSAVG: 4099200 31.5854 38.0797 -6.29982 38.0797 -62.8656 -7.63185 -6.29986 -7.63194 20.1612 GPRESSAVG: 4099200 31.0776 36.0593 -7.23069 40.0762 -62.9998 -8.89419 -5.12138 -6.14681 20.6422 TIMING: 4099200 CPU: 12325, 0.00300265/step Wall: 12325, 0.00300265/step, 0.75133 hours remaining, 209.308594 MB of memory in use. ENERGY: 4099200 730.2487 2085.0264 1953.0348 106.0219 -205918.1833 17763.4940 0.0000 0.0000 34299.3794 -148980.9782 299.5450 -183280.3576 -148881.9951 299.5437 -24.2914 5.7280 558624.5569 -3.7063 -3.7600 PRESSURE: 4099400 -148 17.5103 159.586 17.5091 29.3157 -85.5543 159.586 -85.5529 -107.217 GPRESSURE: 4099400 -127.49 -75.8312 216.881 -2.5469 104.414 -152.13 90.6725 -36.9495 -93.6947 PRESSAVG: 4099400 -0.367592 -37.3723 62.2844 -37.3723 -34.0484 7.9581 62.2844 7.95814 11.9087 GPRESSAVG: 4099400 0.209859 -35.2406 61.741 -39.6238 -32.8227 8.38204 63.3675 7.48892 10.0762 TIMING: 4099400 CPU: 12325.6, 0.00296771/step Wall: 12325.6, 0.00296771/step, 0.742421 hours remaining, 209.308594 MB of memory in use. ENERGY: 4099400 776.1771 2127.9104 1936.9342 113.3818 -206220.2298 17882.2831 0.0000 0.0000 34163.9252 -149219.6179 298.3621 -183383.5432 -149128.3772 298.6305 -75.3002 -38.9236 558343.7606 -7.5024 -7.5122 PRESSURE: 4099600 -289.603 -116.949 214.538 -116.951 -62.3773 -9.02276 214.538 -9.02226 -124.88 GPRESSURE: 4099600 -197.464 -84.4003 214.178 -14.3502 -154.396 -25.8603 229.855 20.2767 -30.6213 PRESSAVG: 4099600 -17.9717 -82.1162 37.3261 -82.1163 62.6343 31.7734 37.3261 31.7734 -55.3219 GPRESSAVG: 4099600 -17.8997 -80.4316 37.7926 -83.5229 61.0142 30.7115 35.867 32.2589 -53.5602 TIMING: 4099600 CPU: 12326.2, 0.00295594/step Wall: 12326.2, 0.00295594/step, 0.739314 hours remaining, 209.308594 MB of memory in use. ENERGY: 4099600 688.5236 2098.8592 1952.8780 119.4843 -205811.0643 17550.3748 0.0000 0.0000 34269.5487 -149131.3958 299.2845 -183400.9444 -149032.5121 298.8092 -158.9536 -127.4940 557989.8453 -3.5531 -3.4819 PRESSURE: 4099800 213.404 94.7014 0.459064 94.7018 -271.455 55.1789 0.459429 55.1802 -281.967 GPRESSURE: 4099800 178.082 78.6066 -21.2771 116.934 -184.265 -5.04281 14.0836 81.2667 -232.186 PRESSAVG: 4099800 36.6642 -76.7939 5.62542 -76.7939 -3.43983 -32.1336 5.62537 -32.1335 -16.3585 GPRESSAVG: 4099800 37.8897 -77.3827 6.7668 -74.7765 -3.40182 -32.0707 5.36777 -32.4614 -16.8936 TIMING: 4099800 CPU: 12326.8, 0.0029769/step Wall: 12326.8, 0.0029769/step, 0.744391 hours remaining, 209.308594 MB of memory in use. ENERGY: 4099800 774.5313 2095.8107 1924.1670 112.7350 -206029.0150 17593.1310 0.0000 0.0000 34388.9600 -149139.6800 300.3273 -183528.6399 -149048.1732 299.5216 -113.3397 -79.4563 557709.4799 5.6219 5.8647 PRESSURE: 4100000 -325.574 166.998 135.05 166.998 -261.657 18.1082 135.051 18.1078 -230.532 GPRESSURE: 4100000 -293.6 206.13 118.644 163.045 -239.517 -5.54024 154.585 64.2114 -198.595 PRESSAVG: 4100000 -17.4418 -26.2194 12.8261 -26.2194 -65.299 14.1131 12.8262 14.113 33.592 GPRESSAVG: 4100000 -18.9625 -27.1676 14.2067 -28.2951 -64.6515 14.8846 11.5272 13.0906 34.0189 TIMING: 4100000 CPU: 12327.4, 0.00296984/step Wall: 12327.4, 0.00296984/step, 0.74246 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: 4100000 756.8908 2087.1203 1956.3005 106.2479 -205653.3086 17524.7939 0.0000 0.0000 34104.1454 -149117.8097 297.8400 -183221.9551 -149012.3098 299.0330 -272.5875 -243.9041 560174.4683 -16.3829 -16.5317 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4100000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 4100000 WRITING COORDINATES TO RESTART FILE AT STEP 4100000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4100200 297.149 6.57971 69.5022 6.57999 77.1783 -23.6286 69.5032 -23.6294 175.098 GPRESSURE: 4100200 294.855 7.89613 -50.5903 9.73361 192.11 23.8662 120.735 9.86054 164.361 PRESSAVG: 4100200 -14.0942 15.0701 21.7031 15.0701 14.3794 28.094 21.7031 28.0941 -8.42946 GPRESSAVG: 4100200 -13.5275 12.7822 19.2071 17.8283 14.4482 28.7491 22.8508 28.35 -8.9045 TIMING: 4100200 CPU: 12328, 0.00303536/step Wall: 12328, 0.00303536/step, 0.758672 hours remaining, 209.308594 MB of memory in use. ENERGY: 4100200 711.7555 2140.1788 1947.2884 116.5609 -206601.7508 18080.9526 0.0000 0.0000 34273.4514 -149331.5634 299.3186 -183605.0147 -149227.2031 298.7184 183.1415 217.1085 558160.6574 -2.7147 -2.6613 LDB: ============= START OF LOAD BALANCING ============== 12331.5 LDB: ============== END OF LOAD BALANCING =============== 12331.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12331.5 LDB: ============= START OF LOAD BALANCING ============== 12331.8 LDB: Largest compute 4802 load 0.028054 is 23.7% of average load 0.118216 LDB: Average compute 0.001726 is 1.5% of average load 0.118216 LDB: TIME 12331.8 LOAD: AVG 0.118216 MAX 0.199488 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.996 MB LDB: TIME 12331.8 LOAD: AVG 0.118216 MAX 0.199488 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.039 MB LDB: TIME 12331.8 LOAD: AVG 0.118216 MAX 0.199488 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.039 MB LDB: ============== END OF LOAD BALANCING =============== 12331.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12331.8 PRESSURE: 4100400 -133.059 -111.937 -39.9452 -111.937 -59.1707 104.289 -39.9445 104.288 183.138 GPRESSURE: 4100400 -79.9724 -75.2317 -116.169 -151.407 -33.7476 133.36 -68.1122 108.681 197.583 PRESSAVG: 4100400 -3.65837 48.4495 -15.8438 48.4494 -42.1438 9.13525 -15.8437 9.13531 12.0123 GPRESSAVG: 4100400 -5.0021 50.4657 -14.233 48.4941 -41.5532 9.43694 -16.2941 7.78808 13.5214 TIMING: 4100400 CPU: 12328.6, 0.00299818/step Wall: 12328.6, 0.00299818/step, 0.749212 hours remaining, 208.941406 MB of memory in use. ENERGY: 4100400 712.0504 2136.3446 1957.7768 113.2161 -206275.8686 17694.7016 0.0000 0.0000 34235.2058 -149426.5733 298.9846 -183661.7791 -149328.0181 298.8704 -3.0304 27.9542 556712.4018 -11.2633 -11.0113 PRESSURE: 4100600 106.864 3.25464 46.363 3.25494 -65.4097 80.2828 46.3632 80.2825 112.579 GPRESSURE: 4100600 118.648 22.4764 -72.9824 34.0228 22.3771 18.1448 -25.2243 37.8101 116.578 PRESSAVG: 4100600 -15.0493 14.8143 17.1485 14.8141 -31.5768 7.7969 17.1486 7.79679 39.1766 GPRESSAVG: 4100600 -13.3033 14.9029 16.9186 15.1782 -31.5418 7.01233 16.4171 8.52735 37.7338 TIMING: 4100600 CPU: 12329.2, 0.0029259/step Wall: 12329.2, 0.0029259/step, 0.730987 hours remaining, 209.269531 MB of memory in use. ENERGY: 4100600 790.0562 2088.2095 1971.9154 112.4744 -206878.9943 18049.3542 0.0000 0.0000 34447.7489 -149419.2357 300.8408 -183866.9847 -149321.3757 299.4294 51.3445 85.8680 556072.7816 -2.4832 -2.3704 PRESSURE: 4100800 160.988 52.1616 -123.267 52.1611 212.957 61.5067 -123.267 61.5057 151.142 GPRESSURE: 4100800 175.842 10.4199 -149.862 45.8144 240.533 6.68198 -23.9572 30.9329 205.869 PRESSAVG: 4100800 -19.8624 -9.81346 -11.0022 -9.81345 -34.6492 33.768 -11.0022 33.7681 34.3692 GPRESSAVG: 4100800 -20.3654 -10.2951 -10.3529 -11.3914 -35.5267 35.1304 -9.65401 32.3935 35.3843 TIMING: 4100800 CPU: 12329.8, 0.00295308/step Wall: 12329.8, 0.00295308/step, 0.737614 hours remaining, 209.269531 MB of memory in use. ENERGY: 4100800 749.0521 2123.2706 1924.2183 99.1214 -206537.1497 18036.9324 0.0000 0.0000 34163.3578 -149441.1970 298.3571 -183604.5549 -149343.5494 298.8777 175.0288 207.4149 557155.0845 -6.7142 -6.8359 PRESSURE: 4101000 54.7374 -297.202 34.2726 -297.202 183.36 -18.7214 34.2724 -18.7213 103.545 GPRESSURE: 4101000 113.13 -277.935 -9.56429 -274.445 215.547 -61.2569 83.4201 -45.3431 112.257 PRESSAVG: 4101000 -6.46899 -18.1965 -70.3857 -18.1964 -50.855 42.8164 -70.3857 42.8164 30.7377 GPRESSAVG: 4101000 -5.39687 -17.6157 -71.174 -17.4475 -50.9502 39.4978 -70.2828 45.4307 29.8359 TIMING: 4101000 CPU: 12330.4, 0.00298071/step Wall: 12330.4, 0.00298071/step, 0.744349 hours remaining, 209.269531 MB of memory in use. ENERGY: 4101000 734.8313 2109.8615 1955.4369 120.3129 -206488.7542 18033.1520 0.0000 0.0000 34174.8831 -149360.2764 298.4578 -183535.1595 -149277.3164 298.7251 113.8809 146.9781 555915.2617 -8.8621 -8.8370 PRESSURE: 4101200 -392.536 55.8197 -183.542 55.8175 -214.225 34.9107 -183.541 34.9103 -232.059 GPRESSURE: 4101200 -390.255 138.322 -149.85 -44.2752 -177.617 51.7529 -246.618 68.3298 -172.772 PRESSAVG: 4101200 -2.36523 -13.2184 -60.2515 -13.2184 -46.3525 70.1194 -60.2514 70.1194 45.2717 GPRESSAVG: 4101200 -3.17081 -14.4604 -59.6208 -13.4077 -46.7095 72.1725 -60.2721 69.5329 46.1577 TIMING: 4101200 CPU: 12330.9, 0.00297419/step Wall: 12330.9, 0.00297419/step, 0.742555 hours remaining, 209.269531 MB of memory in use. ENERGY: 4101200 743.7741 2051.9605 1962.1820 107.1989 -205822.8427 17347.6583 0.0000 0.0000 34238.4144 -149371.6544 299.0126 -183610.0688 -149280.5591 298.9675 -279.6065 -246.8815 557497.7659 -1.1487 -1.2409 PRESSURE: 4101400 -217.006 -124.638 29.6281 -124.64 -65.7913 1.85899 29.6293 1.85805 -255.729 GPRESSURE: 4101400 -225.284 -138.811 -9.63691 -87.9824 -18.921 -58.5629 111.07 56.758 -191.372 PRESSAVG: 4101400 -71.1718 -20.5892 -12.8162 -20.5891 70.7971 29.5148 -12.8163 29.5147 67.8409 GPRESSAVG: 4101400 -71.7111 -19.9624 -13.342 -19.4261 70.9505 28.1124 -11.8383 31.143 67.704 TIMING: 4101400 CPU: 12331.5, 0.00299101/step Wall: 12331.5, 0.00299101/step, 0.746589 hours remaining, 209.269531 MB of memory in use. ENERGY: 4101400 751.2855 2055.9148 1946.2378 113.9391 -206167.2839 17595.3352 0.0000 0.0000 34315.4197 -149389.1518 299.6851 -183704.5716 -149297.8298 299.1701 -179.5087 -145.1922 556145.3233 22.4887 22.3145 PRESSURE: 4101600 5.2363 -123.726 19.4554 -123.726 -79.5823 51.5223 19.4559 51.5222 -32.9297 GPRESSURE: 4101600 12.9896 -183.358 22.2626 -72.3945 -68.8229 5.29428 -6.28896 117.5 46.6673 PRESSAVG: 4101600 -21.5241 -33.8765 29.6342 -33.8764 5.68257 39.7723 29.6341 39.7724 59.9625 GPRESSAVG: 4101600 -22.9889 -35.3062 30.1531 -32.7783 7.50466 39.24 29.7492 39.8013 59.5476 TIMING: 4101600 CPU: 12332.1, 0.00295634/step Wall: 12332.1, 0.00295634/step, 0.737771 hours remaining, 209.269531 MB of memory in use. ENERGY: 4101600 727.0154 2082.8623 1933.5822 103.1450 -206186.1569 17673.4663 0.0000 0.0000 34232.8475 -149433.2381 298.9640 -183666.0856 -149340.6366 298.8047 -35.7586 -3.0553 556505.4219 14.7070 14.6878 PRESSURE: 4101800 -282.902 -82.5804 -6.28456 -82.5798 -213.231 -18.6156 -6.28546 -18.614 -94.4962 GPRESSURE: 4101800 -237.181 -151.172 -9.17807 -9.20913 -168.606 -31.2808 -0.443314 -16.652 -92.3157 PRESSAVG: 4101800 -15.4437 -5.89514 -6.95533 -5.89508 -22.5763 23.3696 -6.95525 23.3696 -5.7726 GPRESSAVG: 4101800 -14.1838 -7.54154 -6.49033 -6.91982 -23.8448 24.5147 -10.1004 20.6455 -5.78134 TIMING: 4101800 CPU: 12332.7, 0.00296946/step Wall: 12332.7, 0.00296946/step, 0.740881 hours remaining, 209.269531 MB of memory in use. ENERGY: 4101800 752.8697 2118.1937 1972.9027 119.0606 -205957.2740 17561.5674 0.0000 0.0000 33969.3472 -149463.3327 296.6628 -183432.6799 -149366.0112 298.1639 -196.8763 -166.0343 557559.8885 -14.5975 -14.6033 PRESSURE: 4102000 -115.349 -28.3477 159.013 -28.3484 -83.3332 17.8486 159.013 17.848 -45.2199 GPRESSURE: 4102000 -102.333 -18.9403 151.189 -0.610955 -32.3295 109.968 141.407 -0.638917 -24.2296 PRESSAVG: 4102000 -25.4831 10.5082 -13.8269 10.508 14.6785 -8.70446 -13.827 -8.70468 33.676 GPRESSAVG: 4102000 -23.5946 13.1337 -13.3049 11.0143 14.0031 -6.95829 -12.4534 -10.0344 32.7588 TIMING: 4102000 CPU: 12333.3, 0.00297363/step Wall: 12333.3, 0.00297363/step, 0.741755 hours remaining, 209.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4102000 758.8072 2186.4105 1963.4263 93.6729 -206383.0549 17744.0965 0.0000 0.0000 34133.2656 -149503.3758 298.0943 -183636.6414 -149406.2374 298.4333 -81.3006 -52.9641 556562.4597 7.6238 7.7224 PRESSURE: 4102200 169.148 -38.3065 -39.4722 -38.3073 53.5557 -49.1873 -39.4728 -49.188 147.901 GPRESSURE: 4102200 177.201 -19.9581 -79.2442 -106.968 80.9504 -42.8185 -17.0666 -82.4313 200.64 PRESSAVG: 4102200 -4.23061 6.12942 -36.1284 6.12943 -2.30033 -51.4946 -36.1284 -51.4945 39.6736 GPRESSAVG: 4102200 -6.47968 5.06854 -37.452 6.76884 -0.706809 -52.3773 -36.4639 -50.1967 40.3664 TIMING: 4102200 CPU: 12333.9, 0.00294775/step Wall: 12333.9, 0.00294775/step, 0.735137 hours remaining, 209.269531 MB of memory in use. ENERGY: 4102200 720.5718 2059.6963 1949.0066 119.1392 -206578.9118 17998.1398 0.0000 0.0000 34169.6570 -149562.7010 298.4121 -183732.3581 -149465.5440 298.9633 123.5350 152.9304 557973.3168 11.0476 11.0600 PRESSURE: 4102400 -98.9416 18.5452 -203.549 18.5431 -197.895 64.7728 -203.549 64.7727 -164.78 GPRESSURE: 4102400 -93.8759 -61.9288 -172.053 32.0569 -175.932 112.139 -210.058 65.9034 -82.7032 PRESSAVG: 4102400 -39.2153 13.9478 19.8428 13.9477 21.0265 -74.939 19.8429 -74.9389 6.9903 GPRESSAVG: 4102400 -38.5631 12.9993 19.7311 14.2558 21.6342 -77.4089 20.6474 -74.6868 6.64652 TIMING: 4102400 CPU: 12334.5, 0.00295758/step Wall: 12334.5, 0.00295758/step, 0.737423 hours remaining, 209.269531 MB of memory in use. ENERGY: 4102400 759.8806 2143.9191 1938.8351 119.5748 -206183.5712 17658.7393 0.0000 0.0000 34073.5774 -149489.0449 297.5730 -183562.6223 -149395.8259 298.2736 -153.8724 -117.5037 556464.9355 -3.7328 -3.4275 PRESSURE: 4102600 204.46 86.9709 -17.4313 86.9708 345.363 19.5966 -17.4311 19.5976 244.036 GPRESSURE: 4102600 229.781 92.1957 -59.4599 44.7959 419.399 95.5822 52.5348 -25.3982 249.969 PRESSAVG: 4102600 9.97115 16.6958 4.55901 16.6959 14.4076 -16.0977 4.55886 -16.0976 16.5883 GPRESSAVG: 4102600 10.2646 19.728 3.78326 12.4518 13.8857 -15.5286 5.97611 -15.6541 17.1414 TIMING: 4102600 CPU: 12335.1, 0.00296355/step Wall: 12335.1, 0.00296355/step, 0.738746 hours remaining, 209.269531 MB of memory in use. ENERGY: 4102600 749.3387 2085.5619 1954.7959 125.7413 -206462.1534 18087.8674 0.0000 0.0000 34150.3166 -149308.5317 298.2432 -183458.8483 -149209.2124 298.4318 264.6196 299.7164 555758.7056 13.6557 13.7639 PRESSURE: 4102800 167.541 59.6025 -31.1466 59.6032 221.419 -116.624 -31.1479 -116.625 96.221 GPRESSURE: 4102800 233.509 79.2535 -37.4286 -15.3024 222.24 -90.4384 -49.7155 -53.0819 127.912 PRESSAVG: 4102800 1.34289 -38.0667 11.4722 -38.0666 2.09812 -27.1573 11.4722 -27.1575 15.2728 GPRESSAVG: 4102800 1.34379 -41.2006 12.5706 -35.5799 2.74334 -27.456 8.86693 -27.0177 14.1277 TIMING: 4102800 CPU: 12335.7, 0.00298516/step Wall: 12335.7, 0.00298516/step, 0.743969 hours remaining, 209.269531 MB of memory in use. ENERGY: 4102800 744.9214 2073.1876 1927.5574 117.3499 -206563.1938 18128.6691 0.0000 0.0000 34308.3678 -149263.1406 299.6235 -183571.5084 -149165.4442 298.9630 161.7268 194.5537 555903.9555 6.2379 6.0716 PRESSURE: 4103000 -163.474 -119.818 102.61 -119.818 7.32992 -7.19248 102.611 -7.19242 243.958 GPRESSURE: 4103000 -101.565 -49.4398 51.0086 -73.5317 102.042 -74.1551 117.45 3.21114 196.154 PRESSAVG: 4103000 -44.2392 -43.7929 -13.0851 -43.793 6.86564 -43.1646 -13.085 -43.1646 44.6663 GPRESSAVG: 4103000 -44.2215 -40.6234 -14.0629 -44.0586 7.05648 -42.3697 -11.0037 -44.913 44.3972 TIMING: 4103000 CPU: 12336.3, 0.00300568/step Wall: 12336.3, 0.00300568/step, 0.748916 hours remaining, 209.269531 MB of memory in use. ENERGY: 4103000 778.7859 2088.1726 1948.7350 127.1611 -206456.6921 17992.3923 0.0000 0.0000 34286.7792 -149234.6661 299.4350 -183521.4452 -149147.0331 298.9705 29.2714 65.5435 557263.3784 2.4309 2.4107 PRESSURE: 4103200 -225.121 -88.6944 -5.65133 -88.6955 -48.792 35.2515 -5.65038 35.2506 -156.344 GPRESSURE: 4103200 -206.221 -70.9597 -11.6873 -66.7855 15.075 -18.5213 33.8441 -2.08715 -144.628 PRESSAVG: 4103200 91.5721 -29.021 -39.1446 -29.021 3.19658 -27.3957 -39.1446 -27.3958 -80.8928 GPRESSAVG: 4103200 91.7089 -31.0211 -39.9618 -28.5234 3.26647 -27.3038 -39.6995 -27.7426 -80.7162 TIMING: 4103200 CPU: 12336.9, 0.00296915/step Wall: 12336.9, 0.00296915/step, 0.739649 hours remaining, 209.269531 MB of memory in use. ENERGY: 4103200 776.2373 2091.3781 1972.2475 119.8355 -205994.2426 17848.6738 0.0000 0.0000 34194.7491 -148991.1213 298.6312 -183185.8704 -148903.5119 299.5450 -143.4190 -111.9247 558614.9672 4.6253 4.7531 PRESSURE: 4103400 -35.15 89.5709 23.2188 89.5717 -286.798 165.258 23.219 165.259 95.9681 GPRESSURE: 4103400 19.3677 106.699 -42.2914 116.245 -247.202 145.554 90.1378 176.25 110.3 PRESSAVG: 4103400 2.80087 -91.7458 -0.765534 -91.7459 -14.3723 -12.2087 -0.765654 -12.2088 33.9178 GPRESSAVG: 4103400 1.13307 -91.173 0.478247 -90.4246 -13.9024 -13.0889 0.134434 -10.5372 35.5964 TIMING: 4103400 CPU: 12337.5, 0.00292519/step Wall: 12337.5, 0.00292519/step, 0.728534 hours remaining, 209.269531 MB of memory in use. ENERGY: 4103400 773.5321 2095.3277 1965.4537 114.9345 -205864.2406 17735.4919 0.0000 0.0000 34178.2051 -149001.2955 298.4868 -183179.5006 -148895.7421 299.7397 -75.3265 -39.1779 557821.7901 7.4488 7.6090 PRESSURE: 4103600 -330.969 -54.1741 64.1442 -54.1735 -39.983 -125.09 64.1446 -125.09 144.239 GPRESSURE: 4103600 -297.075 6.47742 40.167 -12.5617 -6.03624 -169.855 76.9483 -63.7769 148.272 PRESSAVG: 4103600 -45.8741 36.777 -29.2759 36.777 -0.886245 34.5676 -29.2759 34.5677 56.9639 GPRESSAVG: 4103600 -44.5821 37.3795 -30.4538 35.635 -1.45519 32.8076 -30.0848 33.2643 56.2601 TIMING: 4103600 CPU: 12338.1, 0.00294143/step Wall: 12338.1, 0.00294143/step, 0.732416 hours remaining, 209.269531 MB of memory in use. ENERGY: 4103600 750.4875 2097.6331 1962.3224 110.6493 -205783.9228 17746.5304 0.0000 0.0000 34238.7609 -148877.5392 299.0156 -183116.3002 -148783.7170 299.4131 -75.5709 -51.6131 558005.7366 3.4012 3.4076 PRESSURE: 4103800 -236.011 84.4675 102.083 84.4665 -23.9346 -13.8933 102.085 -13.8958 -121.931 GPRESSURE: 4103800 -208.184 26.6465 25.89 91.199 24.3065 -49.7566 131.002 -52.0197 -102.65 PRESSAVG: 4103800 -51.8439 -75.7191 -16.1737 -75.7191 -34.0383 18.8813 -16.1736 18.8813 74.7592 GPRESSAVG: 4103800 -50.8084 -78.5743 -15.827 -77.2206 -35.5873 19.833 -15.5137 19.8728 75.5809 TIMING: 4103800 CPU: 12338.7, 0.00293086/step Wall: 12338.7, 0.00293086/step, 0.729621 hours remaining, 209.269531 MB of memory in use. ENERGY: 4103800 749.0590 2082.9299 1942.4692 114.7247 -205877.5245 17577.2890 0.0000 0.0000 34439.0644 -148971.9884 300.7649 -183411.0528 -148872.3913 300.1965 -127.2924 -95.5092 558958.8178 -3.7077 -3.6049 PRESSURE: 4104000 -27.7335 -38.3784 50.4827 -38.3779 227.526 -97.3455 50.4831 -97.3433 205.787 GPRESSURE: 4104000 24.9722 -108.796 -5.80832 -26.0234 254.217 -82.87 103.157 -138.801 221.816 PRESSAVG: 4104000 -48.5617 -3.4016 -20.6669 -3.40153 40.3056 53.0175 -20.667 53.0177 28.1459 GPRESSAVG: 4104000 -47.494 0.200313 -18.6494 -4.0915 41.7714 52.2605 -21.9677 52.6579 26.8132 TIMING: 4104000 CPU: 12339.2, 0.00293656/step Wall: 12339.2, 0.00293656/step, 0.730878 hours remaining, 209.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4104000 742.4679 2109.7291 1966.2542 112.3533 -206277.9382 17788.6303 0.0000 0.0000 34504.6300 -149053.8735 301.3375 -183558.5034 -148957.0728 299.5372 135.1931 167.0016 556593.2005 6.6300 7.0302 PRESSURE: 4104200 72.8496 19.347 43.4165 19.3466 -46.196 -90.0475 43.4159 -90.0468 237.666 GPRESSURE: 4104200 104.712 87.0572 -22.481 -1.27578 6.76334 -176.296 7.69264 -26.7509 246.944 PRESSAVG: 4104200 -17.7722 -15.8056 2.83305 -15.8056 -10.2913 -40.7432 2.833 -40.7433 2.29258 GPRESSAVG: 4104200 -18.6379 -16.711 1.9334 -16.2208 -9.96414 -40.6407 3.09139 -41.2446 2.77333 TIMING: 4104200 CPU: 12339.8, 0.0029685/step Wall: 12339.8, 0.0029685/step, 0.738662 hours remaining, 209.269531 MB of memory in use. ENERGY: 4104200 739.5988 2070.8247 1982.4453 127.4339 -206371.9792 17866.3773 0.0000 0.0000 34367.9642 -149217.3350 300.1440 -183585.2992 -149120.1827 299.5565 88.1067 119.4731 556037.4094 -8.5903 -8.6096 LDB: ============= START OF LOAD BALANCING ============== 12343.4 LDB: ============== END OF LOAD BALANCING =============== 12343.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12343.4 LDB: ============= START OF LOAD BALANCING ============== 12343.6 LDB: Largest compute 4802 load 0.025553 is 21.6% of average load 0.118198 LDB: Average compute 0.001721 is 1.5% of average load 0.118198 LDB: TIME 12343.7 LOAD: AVG 0.118198 MAX 0.204165 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.637 MB LDB: TIME 12343.7 LOAD: AVG 0.118198 MAX 0.204165 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.707 MB LDB: TIME 12343.7 LOAD: AVG 0.118198 MAX 0.204165 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.707 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12343.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12343.7 PRESSURE: 4104400 -235.064 -10.2587 39.828 -10.2604 -159.213 38.4889 39.8294 38.4897 -43.6719 GPRESSURE: 4104400 -171.117 67.2299 7.62423 -10.1541 -94.8998 110.784 117.729 1.99001 -76.3499 PRESSAVG: 4104400 6.82529 14.0495 -9.47723 14.0493 -32.2473 -7.54716 -9.47717 -7.54725 41.97 GPRESSAVG: 4104400 6.20889 13.157 -9.67009 15.1046 -31.4553 -5.77883 -9.66162 -7.57072 41.8348 TIMING: 4104400 CPU: 12340.4, 0.0030327/step Wall: 12340.4, 0.0030327/step, 0.754468 hours remaining, 208.796875 MB of memory in use. ENERGY: 4104400 781.5274 2075.6016 1966.4693 110.4613 -206143.0302 17790.4998 0.0000 0.0000 34208.0910 -149210.3798 298.7478 -183418.4708 -149115.2286 299.0302 -145.9832 -114.1222 557301.9435 5.5160 5.5295 PRESSURE: 4104600 11.6892 26.6568 67.652 26.6561 141.632 -158.028 67.6519 -158.028 -66.472 GPRESSURE: 4104600 48.1226 -28.1687 91.7621 109.357 150.614 -81.3264 69.6256 -231.724 4.58771 PRESSAVG: 4104600 -40.5091 2.40035 59.0387 2.40035 16.4935 -16.822 59.0388 -16.822 1.57574 GPRESSAVG: 4104600 -40.236 3.43565 59.6506 2.70831 15.0118 -18.0235 58.7642 -17.5002 2.31795 TIMING: 4104600 CPU: 12341, 0.0029678/step Wall: 12341, 0.0029678/step, 0.738158 hours remaining, 209.125000 MB of memory in use. ENERGY: 4104600 771.9832 2069.4620 1939.5398 101.0433 -206460.6970 17852.2687 0.0000 0.0000 34344.0485 -149382.3515 299.9351 -183726.4001 -149285.8364 299.5382 28.9497 67.7747 557378.3963 -7.4800 -7.6354 PRESSURE: 4104800 -24.316 49.7457 1.17507 49.7462 -202.732 -43.4154 1.17566 -43.415 17.76 GPRESSURE: 4104800 6.9299 -10.8451 -66.7089 67.4336 -175.727 30.0204 20.5654 -123.324 47.9227 PRESSAVG: 4104800 -23.8761 41.7253 -16 41.7254 -19.3715 -3.41373 -16 -3.41369 70.7923 GPRESSAVG: 4104800 -24.3139 41.9827 -15.3821 39.9963 -18.7822 -3.14102 -16.4453 -3.03322 70.2316 TIMING: 4104800 CPU: 12341.6, 0.00297111/step Wall: 12341.6, 0.00297111/step, 0.738816 hours remaining, 209.125000 MB of memory in use. ENERGY: 4104800 786.9646 2103.9420 1955.7241 106.3218 -206137.8424 17730.0709 0.0000 0.0000 34138.7766 -149316.0424 298.1424 -183454.8190 -149218.7365 298.8496 -69.7627 -40.2915 556879.3368 9.1816 9.0452 PRESSURE: 4105000 -71.2003 93.7948 -78.6385 93.7953 -61.9149 72.6155 -78.6386 72.6154 -76.9018 GPRESSURE: 4105000 -14.7953 98.105 -83.0124 15.8668 52.1623 46.0901 -159.899 66.1072 -165.042 PRESSAVG: 4105000 36.9702 34.6416 -34.3998 34.6416 7.24174 -22.9389 -34.3998 -22.9388 -45.0012 GPRESSAVG: 4105000 38.1511 35.342 -35.5811 36.4747 6.75524 -21.6563 -31.5259 -25.2612 -45.3804 TIMING: 4105000 CPU: 12342.2, 0.0029985/step Wall: 12342.2, 0.0029985/step, 0.74546 hours remaining, 209.125000 MB of memory in use. ENERGY: 4105000 745.3393 2137.0449 1923.2752 117.8375 -206320.9468 17784.5445 0.0000 0.0000 34281.0023 -149331.9030 299.3845 -183612.9053 -149232.9690 299.6161 -70.0056 -42.5582 557072.5498 -0.2631 -0.1580 PRESSURE: 4105200 -226.854 84.6948 -57.8507 84.6951 -255.237 -30.8728 -57.8484 -30.8732 -171.884 GPRESSURE: 4105200 -162.88 107.455 -26.5021 72.0258 -317.495 -40.3167 -31.6004 9.27621 -71.2076 PRESSAVG: 4105200 -65.6713 -32.6371 -17.2556 -32.6371 77.6288 37.5582 -17.2556 37.5581 -43.8199 GPRESSAVG: 4105200 -65.1401 -34.2655 -17.5484 -32.0543 79.0621 36.5481 -18.2058 37.9466 -44.879 TIMING: 4105200 CPU: 12342.8, 0.00294905/step Wall: 12342.8, 0.00294905/step, 0.733003 hours remaining, 209.125000 MB of memory in use. ENERGY: 4105200 761.1862 2041.6476 1943.8249 107.6368 -205938.6356 17543.9674 0.0000 0.0000 34110.3272 -149430.0454 297.8940 -183540.3726 -149322.9495 299.0828 -217.9918 -183.8610 557662.7208 -10.6208 -10.3190 PRESSURE: 4105400 -197.522 -7.10919 79.0761 -7.10911 -9.08415 -6.80155 79.0761 -6.80213 -53.7057 GPRESSURE: 4105400 -144.16 37.8131 68.4129 -25.7076 33.4991 -58.1526 90.4426 -3.76405 -51.2768 PRESSAVG: 4105400 -13.9817 -39.0457 -27.8693 -39.0456 24.0255 -1.90933 -27.8694 -1.90923 -14.9222 GPRESSAVG: 4105400 -14.8731 -38.1518 -28.1503 -38.8743 23.7168 -5.33294 -26.8757 1.20187 -13.3639 TIMING: 4105400 CPU: 12343.4, 0.00295743/step Wall: 12343.4, 0.00295743/step, 0.73492 hours remaining, 209.125000 MB of memory in use. ENERGY: 4105400 709.4602 2142.9956 1920.5558 110.2680 -206452.0405 17831.7131 0.0000 0.0000 34430.3431 -149306.7046 300.6888 -183737.0477 -149213.1657 299.2827 -86.7704 -53.9792 556274.6147 -1.6261 -1.5067 PRESSURE: 4105600 -226.677 -172.694 -21.2214 -172.693 -75.7668 59.3792 -21.2212 59.3789 -120.64 GPRESSURE: 4105600 -210.04 -55.7127 -30.7416 -265.643 -1.8588 44.1101 12.596 194.347 -123.759 PRESSAVG: 4105600 41.9288 2.0564 -40.4372 2.05637 -89.6005 28.3012 -40.4372 28.3011 20.7726 GPRESSAVG: 4105600 40.7107 1.10748 -38.7445 0.663558 -88.5797 30.878 -41.2423 26.722 20.8763 TIMING: 4105600 CPU: 12344, 0.00294506/step Wall: 12344, 0.00294506/step, 0.731684 hours remaining, 209.125000 MB of memory in use. ENERGY: 4105600 729.9160 2123.9926 1904.2581 116.2260 -206052.6377 17699.1003 0.0000 0.0000 34263.4410 -149215.7036 299.2312 -183479.1446 -149118.9167 299.2532 -141.0278 -111.8858 558271.2642 -8.9664 -8.9976 PRESSURE: 4105800 -179.553 52.1622 60.2361 52.1615 -81.2576 -68.5264 60.2362 -68.5263 -266.866 GPRESSURE: 4105800 -149.876 5.73822 91.4017 37.0715 -103.845 -41.8586 48.1105 -69.0007 -177.512 PRESSAVG: 4105800 1.2586 -5.38589 0.695958 -5.38588 -40.0729 65.0799 0.695896 65.08 -4.42774 GPRESSAVG: 4105800 2.04868 -6.09003 -0.529092 -3.90949 -40.9284 63.3952 -0.460833 66.535 -4.26121 TIMING: 4105800 CPU: 12344.6, 0.00296437/step Wall: 12344.6, 0.00296437/step, 0.736316 hours remaining, 209.125000 MB of memory in use. ENERGY: 4105800 782.1749 2139.7512 1935.3268 113.2649 -206099.2542 17653.6495 0.0000 0.0000 34225.9709 -149249.1159 298.9039 -183475.0868 -149157.1082 299.5297 -175.8923 -143.7445 557365.4749 -14.4140 -14.3803 PRESSURE: 4106000 275.139 -217.854 -163.026 -217.854 316.004 143.879 -163.027 143.88 -75.7739 GPRESSURE: 4106000 301.127 -212.299 -206.51 -137.843 323.427 151.884 -115.762 103.64 -12.8493 PRESSAVG: 4106000 71.9413 10.5674 0.161517 10.5673 50.1865 -9.54125 0.161401 -9.54143 -80.7184 GPRESSAVG: 4106000 71.4837 10.9891 0.870552 9.99729 49.7681 -10.0091 0.686349 -8.7527 -80.6327 TIMING: 4106000 CPU: 12345.2, 0.00295127/step Wall: 12345.2, 0.00295127/step, 0.732898 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: 4106000 715.3471 2085.9175 1956.3958 115.1696 -206696.6820 18127.0442 0.0000 0.0000 34373.3801 -149323.4277 300.1913 -183696.8077 -149229.1117 299.3599 171.7897 203.9016 555968.3714 13.8031 13.5397 PRESSURE: 4106200 231.808 29.1303 25.9976 29.1302 119.252 -101.433 25.9967 -101.433 133.285 GPRESSURE: 4106200 287.52 32.5916 63.6323 45.1148 135.724 -83.6712 104.384 -99.2127 149.302 PRESSAVG: 4106200 58.0578 -4.92854 8.23647 -4.92861 -57.9806 -6.93377 8.23645 -6.93378 -20.0966 GPRESSAVG: 4106200 58.246 -5.10096 10.615 -7.02438 -57.2957 -5.38989 6.30539 -7.65048 -21.1201 TIMING: 4106200 CPU: 12345.8, 0.00294725/step Wall: 12345.8, 0.00294725/step, 0.731738 hours remaining, 209.125000 MB of memory in use. ENERGY: 4106200 724.0134 2017.0667 1958.4090 122.7596 -206647.0946 18022.4630 0.0000 0.0000 34411.5295 -149390.8534 300.5244 -183802.3829 -149298.7240 299.0702 161.4482 190.8487 555629.8634 -6.6731 -6.7233 PRESSURE: 4106400 197.362 29.7895 3.43313 29.7886 -24.6279 12.3736 3.43393 12.3742 185.745 GPRESSURE: 4106400 222.461 56.8128 -19.0725 3.27248 -5.26764 -12.1046 -3.14684 31.1558 245.289 PRESSAVG: 4106400 11.3676 5.41259 -29.2322 5.41249 -51.4849 -24.3405 -29.2322 -24.3406 -2.50069 GPRESSAVG: 4106400 11.0112 7.40889 -31.7272 4.29619 -52.3547 -24.0098 -28.02 -24.3589 -1.31654 TIMING: 4106400 CPU: 12346.4, 0.00296137/step Wall: 12346.4, 0.00296137/step, 0.735077 hours remaining, 209.125000 MB of memory in use. ENERGY: 4106400 742.7192 2037.0256 1950.4874 95.9064 -206422.7687 17873.7707 0.0000 0.0000 34227.4387 -149495.4207 298.9167 -183722.8594 -149402.9302 298.5990 119.4930 154.1608 555578.7119 -14.2060 -14.2200 PRESSURE: 4106600 -103.797 -69.4231 -145.233 -69.4234 -12.2684 -121.407 -145.234 -121.405 111.702 GPRESSURE: 4106600 -47.8116 -10.6169 -214.008 -25.4083 3.42625 -98.6871 -133.388 -134.202 131.15 PRESSAVG: 4106600 -26.3779 -35.5441 -47.9513 -35.5442 39.9335 -32.4377 -47.9512 -32.4377 -32.5564 GPRESSAVG: 4106600 -25.0409 -36.7627 -47.476 -31.5971 38.9852 -33.6214 -47.9009 -34.388 -33.006 TIMING: 4106600 CPU: 12347, 0.00295243/step Wall: 12347, 0.00295243/step, 0.732694 hours remaining, 209.125000 MB of memory in use. ENERGY: 4106600 800.1119 2052.9276 1939.2801 108.3694 -206545.9024 17999.6004 0.0000 0.0000 34140.3715 -149505.2415 298.1564 -183645.6130 -149409.7741 298.6429 -1.4543 28.9216 556420.0561 -6.3336 -6.3539 PRESSURE: 4106800 -22.6967 -9.81806 -153.735 -9.81836 -23.5546 -6.93733 -153.736 -6.93889 44.61 GPRESSURE: 4106800 -9.02456 -90.1227 -142.636 30.3638 11.4918 -56.971 -114.582 11.9329 88.4454 PRESSAVG: 4106800 10.9777 -30.6827 -32.7208 -30.6827 -67.755 -51.732 -32.7208 -51.7319 10.0196 GPRESSAVG: 4106800 9.89472 -33.3264 -31.9199 -30.4255 -67.3465 -52.3175 -33.4034 -49.8279 10.5561 TIMING: 4106800 CPU: 12347.5, 0.00296562/step Wall: 12347.5, 0.00296562/step, 0.735804 hours remaining, 209.125000 MB of memory in use. ENERGY: 4106800 736.6896 2068.6944 1944.1699 101.3231 -206513.2433 17737.2655 0.0000 0.0000 34378.0341 -149547.0668 300.2319 -183925.1008 -149454.4776 298.5606 -0.5471 30.3042 556170.8172 -15.5859 -15.6319 PRESSURE: 4107000 -128.531 -272.813 78.2063 -272.812 -82.5203 -190.455 78.2056 -190.454 -21.1828 GPRESSURE: 4107000 -72.8481 -274.049 76.7757 -218.277 -51.0389 -277.505 114.639 -139.746 -17.1422 PRESSAVG: 4107000 -47.1569 4.6072 1.38359 4.60727 43.7291 14.8808 1.38364 14.8808 5.58948 GPRESSAVG: 4107000 -47.9315 6.87086 0.118005 3.83546 44.4152 16.7647 3.79436 13.7359 6.02105 TIMING: 4107000 CPU: 12348.1, 0.00297966/step Wall: 12348.1, 0.00297966/step, 0.73912 hours remaining, 209.125000 MB of memory in use. ENERGY: 4107000 768.0570 2117.9189 1972.5422 126.1997 -206453.8803 17777.1966 0.0000 0.0000 34266.6657 -149425.3001 299.2593 -183691.9658 -149331.4690 299.4033 -77.4114 -47.0097 556251.8216 0.7206 0.8349 PRESSURE: 4107200 -107.565 60.0396 12.4172 60.0395 -252.493 38.8511 12.4162 38.8512 -101.262 GPRESSURE: 4107200 -95.0364 60.1657 -57.1157 52.0007 -217.81 12.1032 44.0304 53.4098 -50.7493 PRESSAVG: 4107200 -45.5616 -9.36091 48.6077 -9.36086 50.0216 26.7304 48.6077 26.7304 25.6527 GPRESSAVG: 4107200 -44.6498 -9.67153 49.068 -8.26374 49.235 26.1706 46.1717 26.0638 25.2527 TIMING: 4107200 CPU: 12348.7, 0.00297205/step Wall: 12348.7, 0.00297205/step, 0.737068 hours remaining, 209.125000 MB of memory in use. ENERGY: 4107200 734.6028 2058.2528 1947.5448 110.8027 -206393.4633 17715.3494 0.0000 0.0000 34279.2228 -149547.6880 299.3690 -183826.9108 -149448.6857 299.1138 -153.7729 -121.1985 557961.2733 10.0376 9.9460 PRESSURE: 4107400 249.303 -14.7706 -58.6745 -14.772 -52.8147 -34.8544 -58.6751 -34.8535 48.2205 GPRESSURE: 4107400 302.363 -12.4175 -66.4283 90.5632 -72.4493 36.8803 -22.3902 -131.162 118.172 PRESSAVG: 4107400 6.89651 9.20324 -2.9525 9.20325 6.57209 -5.06497 -2.9526 -5.06503 27.8564 GPRESSAVG: 4107400 6.1809 10.8952 -3.58078 7.76809 6.92613 -5.33288 -2.29111 -3.9066 27.8479 TIMING: 4107400 CPU: 12349.3, 0.00298461/step Wall: 12349.3, 0.00298461/step, 0.740018 hours remaining, 209.125000 MB of memory in use. ENERGY: 4107400 769.3465 2132.0784 1987.3627 114.0036 -206402.8495 17890.7021 0.0000 0.0000 34072.1442 -149437.2119 297.5605 -183509.3561 -149349.0635 298.7830 81.5696 116.0286 557209.9731 13.7750 13.6516 PRESSURE: 4107600 388.323 -99.4157 -47.597 -99.4158 242.576 18.5465 -47.5969 18.5466 202.683 GPRESSURE: 4107600 355.663 -113.299 -100.316 -151.34 319.981 30.6139 3.66764 51.1038 257.616 PRESSAVG: 4107600 -23.9388 89.899 49.8941 89.8991 -5.1966 33.2531 49.8941 33.2531 15.0163 GPRESSAVG: 4107600 -24.0449 88.4064 51.3755 89.652 -3.79414 33.1683 50.4849 33.5635 13.5792 TIMING: 4107600 CPU: 12349.9, 0.00300751/step Wall: 12349.9, 0.00300751/step, 0.745529 hours remaining, 209.125000 MB of memory in use. ENERGY: 4107600 734.7759 2064.1767 1964.9772 126.0655 -207052.3126 18463.8998 0.0000 0.0000 34417.2317 -149281.1858 300.5742 -183698.4175 -149176.8733 298.7895 277.8606 311.0865 557476.8102 -4.7064 -4.7533 PRESSURE: 4107800 16.402 -34.5395 81.289 -34.5389 24.4279 -138.721 81.2886 -138.72 201.136 GPRESSURE: 4107800 62.4968 -20.1975 42.3229 -45.5613 52.6359 -147.919 82.5447 -93.219 224.798 PRESSAVG: 4107800 -2.96894 -11.9813 -23.6516 -11.9813 -28.0497 47.1028 -23.6517 47.1028 57.4029 GPRESSAVG: 4107800 -3.82325 -10.8032 -22.9521 -11.5752 -28.7768 50.0818 -24.7236 46.1926 58.7213 TIMING: 4107800 CPU: 12350.5, 0.00295875/step Wall: 12350.5, 0.00295875/step, 0.733276 hours remaining, 209.125000 MB of memory in use. ENERGY: 4107800 745.7059 2113.6663 1947.3685 121.0721 -206144.2411 17902.2991 0.0000 0.0000 34186.0544 -149128.0747 298.5553 -183314.1292 -149032.3218 299.1890 80.6552 113.3102 557782.3470 8.7948 8.7071 PRESSURE: 4108000 -48.5233 -323.675 71.1564 -323.676 -212.616 37.7143 71.1559 37.7145 -469.998 GPRESSURE: 4108000 41.3692 -204.017 7.14369 -406.6 -230.348 83.4189 69.6338 30.4539 -451.124 PRESSAVG: 4108000 -59.333 -12.9976 46.8391 -12.9978 42.7188 -35.1759 46.8391 -35.176 -22.0403 GPRESSAVG: 4108000 -57.7498 -13.901 44.3717 -10.6902 42.2588 -37.7023 47.2678 -33.9176 -22.8782 TIMING: 4108000 CPU: 12351.1, 0.00299143/step Wall: 12351.1, 0.00299143/step, 0.741209 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: 4108000 749.3299 2146.2514 1991.9876 106.0730 -205765.4376 17396.6170 0.0000 0.0000 34188.1199 -149187.0588 298.5734 -183375.1787 -149099.0561 299.4144 -243.7125 -213.3674 558925.1237 -12.8848 -12.7897 PRESSURE: 4108200 -324.625 93.3809 220.462 93.3801 -32.5436 -93.3342 220.462 -93.3331 -184.494 GPRESSURE: 4108200 -320.489 97.6285 213.304 55.1633 48.0058 -85.3299 134.271 -70.2185 -178.74 PRESSAVG: 4108200 -13.1674 -20.968 65.5085 -20.968 -38.0922 -2.30012 65.5085 -2.30006 44.0452 GPRESSAVG: 4108200 -15.5587 -21.2256 66.7035 -23.7977 -37.4886 -2.38648 65.6922 -3.56145 45.7624 TIMING: 4108200 CPU: 12351.7, 0.00296744/step Wall: 12351.7, 0.00296744/step, 0.735102 hours remaining, 209.125000 MB of memory in use. ENERGY: 4108200 747.9268 2093.4640 1936.4657 111.2684 -205861.2793 17422.1049 0.0000 0.0000 34271.5152 -149278.5343 299.3017 -183550.0495 -149184.5228 299.6009 -180.5540 -150.4076 556486.9171 -2.4048 -2.4283 LDB: ============= START OF LOAD BALANCING ============== 12355.2 LDB: ============== END OF LOAD BALANCING =============== 12355.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12355.2 LDB: ============= START OF LOAD BALANCING ============== 12355.5 LDB: Largest compute 4802 load 0.027281 is 23.1% of average load 0.118259 LDB: Average compute 0.001714 is 1.4% of average load 0.118259 LDB: TIME 12355.5 LOAD: AVG 0.118259 MAX 0.205206 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.086 MB LDB: TIME 12355.5 LOAD: AVG 0.118259 MAX 0.205206 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.152 MB LDB: TIME 12355.5 LOAD: AVG 0.118259 MAX 0.205206 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.152 MB LDB: ============== END OF LOAD BALANCING =============== 12355.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12355.5 PRESSURE: 4108400 -371.709 18.6453 -136.259 18.6458 46.1831 1.54607 -136.258 1.5468 -43.4114 GPRESSURE: 4108400 -348.901 -94.1004 -138.672 -2.85242 130.955 6.72194 -130.192 44.0356 -49.0347 PRESSAVG: 4108400 -58.8469 -37.7926 1.70765 -37.7926 32.7416 -18.6123 1.70769 -18.6123 -26.2634 GPRESSAVG: 4108400 -58.1181 -39.0102 4.1836 -38.3194 32.0836 -18.7588 1.20328 -17.604 -25.933 TIMING: 4108400 CPU: 12352.3, 0.00302385/step Wall: 12352.3, 0.00302385/step, 0.748906 hours remaining, 209.199219 MB of memory in use. ENERGY: 4108400 715.5852 2099.1844 1954.5431 122.5771 -206034.0925 17622.4832 0.0000 0.0000 34354.5273 -149165.1923 300.0266 -183519.7195 -149063.5564 299.7860 -122.9790 -88.9934 557292.0538 -17.4562 -17.3225 PRESSURE: 4108600 -13.6093 -5.41417 -24.7612 -5.414 103.59 -30.4958 -24.762 -30.4957 67.4237 GPRESSURE: 4108600 55.6899 -35.9702 -40.8173 33.8639 108.916 -80.8075 -11.0992 46.5257 89.1299 PRESSAVG: 4108600 -60.6902 -22.9167 -0.084761 -22.9166 24.9627 8.9666 -0.0848054 8.96666 58.6514 GPRESSAVG: 4108600 -59.2851 -22.8163 -2.04111 -20.8634 24.5308 10.9869 -0.0784451 7.37311 57.2131 TIMING: 4108600 CPU: 12352.9, 0.00297951/step Wall: 12352.9, 0.00297951/step, 0.73776 hours remaining, 209.199219 MB of memory in use. ENERGY: 4108600 724.2767 2065.0487 1935.7142 102.5056 -206023.8607 17734.0293 0.0000 0.0000 34186.9507 -149275.3357 298.5631 -183462.2863 -149176.9958 299.9378 52.4680 84.5786 556825.7303 7.6413 7.4863 PRESSURE: 4108800 143.059 0.821612 -37.948 0.82148 83.6025 -28.595 -37.9476 -28.596 -193.656 GPRESSURE: 4108800 165.714 14.623 -46.7192 -11.8746 133.246 14.1408 14.5848 -38.6606 -171.548 PRESSAVG: 4108800 26.3737 -30.5949 -42.5435 -30.5949 34.8264 -59.4167 -42.5434 -59.4167 -55.4181 GPRESSAVG: 4108800 25.2224 -28.9792 -44.3035 -31.4222 35.7345 -60.9339 -40.8586 -58.8183 -54.8355 TIMING: 4108800 CPU: 12353.5, 0.00295822/step Wall: 12353.5, 0.00295822/step, 0.732324 hours remaining, 209.199219 MB of memory in use. ENERGY: 4108800 740.9185 2124.4708 1977.6935 112.4442 -206459.1365 17981.8599 0.0000 0.0000 34091.0639 -149430.6856 297.7257 -183521.7496 -149335.5524 299.0762 11.0018 42.4707 557717.7241 1.9273 2.0404 PRESSURE: 4109000 -31.37 75.6113 -43.1281 75.6097 -451.151 40.7553 -43.129 40.7568 -155.2 GPRESSURE: 4109000 34.2519 78.9572 -6.62385 -2.17565 -415.466 62.636 -96.8487 38.2589 -151.205 PRESSAVG: 4109000 31.0442 41.7752 -35.7145 41.7753 -4.52044 7.3227 -35.7146 7.32264 -61.1544 GPRESSAVG: 4109000 31.0406 42.3559 -35.155 41.8943 -4.83804 6.65918 -36.4457 8.61573 -60.7904 TIMING: 4109000 CPU: 12354.1, 0.00297633/step Wall: 12354.1, 0.00297633/step, 0.736643 hours remaining, 209.199219 MB of memory in use. ENERGY: 4109000 713.9670 2077.4124 1923.5859 142.5388 -205944.8807 17410.7855 0.0000 0.0000 34256.1021 -149420.4890 299.1671 -183676.5912 -149327.5514 298.9243 -212.5737 -177.4730 556973.5541 -11.5436 -11.5293 PRESSURE: 4109200 -50.2819 36.7949 5.13386 36.7937 -261.68 -75.3468 5.13318 -75.3459 10.5171 GPRESSURE: 4109200 -11.3883 -13.8281 69.5703 64.2802 -256.483 -159.248 -61.8849 -91.3853 48.9703 PRESSAVG: 4109200 53.0333 83.0911 -30.06 83.0912 -17.1071 7.46923 -30.06 7.46923 -38.5392 GPRESSAVG: 4109200 53.4065 83.7628 -29.1389 84.3479 -18.2225 7.29173 -31.0049 10.1988 -38.4291 TIMING: 4109200 CPU: 12354.7, 0.00296098/step Wall: 12354.7, 0.00296098/step, 0.732677 hours remaining, 209.199219 MB of memory in use. ENERGY: 4109200 757.5661 2089.2575 1953.8394 105.4958 -206001.9243 17606.3806 0.0000 0.0000 34205.6397 -149283.7452 298.7264 -183489.3849 -149181.5783 298.7564 -100.4817 -72.9670 557534.9148 -0.8710 -1.0817 PRESSURE: 4109400 -31.2934 50.9348 -73.138 50.9341 -241.211 -13.9664 -73.1384 -13.9653 -48.4902 GPRESSURE: 4109400 -43.7763 6.75761 -65.5809 53.6037 -169.658 -1.30866 -15.2525 56.2553 -7.07071 PRESSAVG: 4109400 32.4992 41.8627 40.2007 41.8628 -39.387 -15.5507 40.2007 -15.5506 46.8207 GPRESSAVG: 4109400 30.9866 41.0463 39.7265 40.0856 -38.7613 -15.7069 42.9793 -17.4374 48.0527 TIMING: 4109400 CPU: 12355.3, 0.00293295/step Wall: 12355.3, 0.00293295/step, 0.725578 hours remaining, 209.199219 MB of memory in use. ENERGY: 4109400 745.3082 2145.2156 1930.1501 105.6521 -206127.4628 17748.4441 0.0000 0.0000 34357.4343 -149095.2584 300.0520 -183452.6927 -148999.3289 299.9683 -106.9981 -73.5017 557640.5377 13.3110 13.4260 PRESSURE: 4109600 38.121 -103.761 73.7512 -103.762 78.4107 63.4333 73.7521 63.433 73.27 GPRESSURE: 4109600 52.7737 -108.283 91.4976 -142.405 111.388 62.4748 108.629 51.5019 123.136 PRESSAVG: 4109600 -31.2128 -5.1541 -3.25338 -5.15412 38.698 -3.40348 -3.25348 -3.40346 35.2257 GPRESSAVG: 4109600 -30.6065 -5.73158 -3.0939 -3.75342 39.5524 -1.50111 -4.35858 -6.9403 34.0305 TIMING: 4109600 CPU: 12355.9, 0.00294794/step Wall: 12355.9, 0.00294794/step, 0.729123 hours remaining, 209.199219 MB of memory in use. ENERGY: 4109600 754.2663 2136.1709 1938.5024 113.9309 -206074.6174 17797.5984 0.0000 0.0000 34380.4207 -148953.7277 300.2528 -183334.1484 -148858.2204 299.8457 63.2672 95.7660 556402.1767 14.2370 14.3255 PRESSURE: 4109800 73.5509 74.8236 141.468 74.8234 111.587 5.46584 141.468 5.46546 40.2365 GPRESSURE: 4109800 60.7187 24.192 192.651 68.628 157.027 20.7412 125.999 2.53044 99.2853 PRESSAVG: 4109800 -14.5814 -2.78649 32.8131 -2.78648 -1.40571 -15.3703 32.8132 -15.3701 -33.8429 GPRESSAVG: 4109800 -14.8557 -3.33027 32.6436 -3.2673 -1.868 -13.1089 33.2314 -14.0036 -33.3977 TIMING: 4109800 CPU: 12356.5, 0.00294074/step Wall: 12356.5, 0.00294074/step, 0.727179 hours remaining, 209.199219 MB of memory in use. ENERGY: 4109800 748.8035 2103.4575 1937.6673 114.8577 -205859.8304 17828.3547 0.0000 0.0000 34237.6820 -148889.0077 299.0062 -183126.6897 -148794.1435 300.3364 75.1248 105.6771 556630.8424 -16.6100 -16.7072 PRESSURE: 4110000 55.3352 -68.0802 60.4298 -68.081 174.567 82.5185 60.429 82.5192 161.257 GPRESSURE: 4110000 91.6192 -44.1153 -3.28871 -97.1603 195.629 118.97 107.875 89.4715 200.204 PRESSAVG: 4110000 -66.2846 37.6267 53.4471 37.6268 -16.0582 37.2869 53.4471 37.287 72.5478 GPRESSAVG: 4110000 -65.8277 40.4063 52.5212 35.8125 -17.1652 35.0406 53.5397 38.9564 73.0848 TIMING: 4110000 CPU: 12357.1, 0.00294538/step Wall: 12357.1, 0.00294538/step, 0.728164 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: 4110000 722.6292 2103.5008 1947.0430 119.5269 -205815.4832 17716.8911 0.0000 0.0000 34341.2326 -148864.6596 299.9105 -183205.8923 -148761.5083 299.8161 130.3864 162.4842 555657.5664 -3.2650 -3.3027 PRESSURE: 4110200 -228.911 22.1928 76.9524 22.1928 -253.179 -105.446 76.9527 -105.447 -27.7259 GPRESSURE: 4110200 -173.233 17.8744 109.648 20.8458 -195.339 -217.69 71.2128 -37.1285 -31.1717 PRESSAVG: 4110200 -7.76182 6.39744 -10.3045 6.39736 43.5387 44.393 -10.3046 44.3931 -15.5543 GPRESSAVG: 4110200 -8.33948 5.0188 -9.52694 6.73568 44.2533 44.6438 -11.0208 42.2294 -15.2543 TIMING: 4110200 CPU: 12357.6, 0.00295392/step Wall: 12357.6, 0.00295392/step, 0.730109 hours remaining, 209.199219 MB of memory in use. ENERGY: 4110200 759.9935 2058.5025 1942.6582 116.4403 -205674.1681 17583.8927 0.0000 0.0000 34285.7101 -148926.9708 299.4256 -183212.6810 -148827.7265 299.9132 -169.9388 -133.2479 558287.0641 6.7409 6.8865 PRESSURE: 4110400 69.111 -135.031 108.605 -135.031 195.794 222.117 108.607 222.117 83.4154 GPRESSURE: 4110400 178.055 -95.5882 151.045 -173.281 188.702 247.908 76.8945 156.659 68.7205 PRESSAVG: 4110400 -7.46286 50.448 -16.7305 50.448 4.92652 59.3091 -16.7305 59.3091 31.6676 GPRESSAVG: 4110400 -6.35302 49.854 -15.5635 51.2076 5.74441 59.9205 -16.637 60.0694 29.613 TIMING: 4110400 CPU: 12358.2, 0.00296292/step Wall: 12358.2, 0.00296292/step, 0.732169 hours remaining, 209.199219 MB of memory in use. ENERGY: 4110400 740.2559 2085.4873 1922.0178 98.8309 -206195.2437 17978.5360 0.0000 0.0000 34487.7534 -148882.3624 301.1901 -183370.1158 -148783.0911 300.0516 116.1067 145.1592 557906.6711 9.7104 9.6681 PRESSURE: 4110600 -166.294 173.177 -116.618 173.175 126.481 42.3926 -116.618 42.3927 141.29 GPRESSURE: 4110600 -100.617 257.525 -119.243 136.995 147.965 16.4886 -54.6644 78.8904 153.175 PRESSAVG: 4110600 1.75187 15.017 9.74762 15.0169 10.7468 21.8389 9.74778 21.8389 13.4035 GPRESSAVG: 4110600 1.38571 15.9173 10.3636 14.6232 9.8118 20.3227 9.46613 23.3042 15.501 TIMING: 4110600 CPU: 12358.8, 0.00297593/step Wall: 12358.8, 0.00297593/step, 0.735221 hours remaining, 209.199219 MB of memory in use. ENERGY: 4110600 739.7210 2132.8831 1938.4065 99.0454 -206035.7387 17841.1862 0.0000 0.0000 34420.1288 -148864.3676 300.5995 -183284.4964 -148765.6937 300.5761 33.8257 66.8414 557360.4377 8.6341 8.8995 PRESSURE: 4110800 117.685 -14.9518 -39.2658 -14.9528 118.316 115.242 -39.2656 115.241 -2.47863 GPRESSURE: 4110800 182.404 -46.8508 32.1876 32.2458 143.006 115.396 -77.616 39.5848 14.1728 PRESSAVG: 4110800 13.018 26.2339 18.117 26.234 -35.099 77.8198 18.1169 77.8198 11.1806 GPRESSAVG: 4110800 12.8794 24.9454 16.8676 26.934 -34.8186 79.1148 17.5624 77.5925 10.8733 TIMING: 4110800 CPU: 12359.4, 0.00296809/step Wall: 12359.4, 0.00296809/step, 0.733118 hours remaining, 209.199219 MB of memory in use. ENERGY: 4110800 734.5256 2067.5313 1922.8695 102.8007 -206286.6529 17950.5022 0.0000 0.0000 34375.3844 -149133.0393 300.2088 -183508.4237 -149036.4220 300.2838 77.8409 113.1945 557525.9737 -3.6335 -3.6887 PRESSURE: 4111000 -78.6404 -21.6571 -70.4563 -21.6564 -573.867 -62.3517 -70.4556 -62.351 -339.877 GPRESSURE: 4111000 -122.922 -15.4587 -61.6292 -39.7709 -469.938 -57.6338 -44.556 -35.3598 -297.522 PRESSAVG: 4111000 26.7293 32.3056 6.1201 32.3056 -40.4465 -8.61493 6.12015 -8.61493 24.4661 GPRESSAVG: 4111000 26.8272 33.1414 6.46422 31.446 -39.7718 -8.56175 8.10581 -9.52685 23.7908 TIMING: 4111000 CPU: 12360, 0.00295194/step Wall: 12360, 0.00295194/step, 0.728965 hours remaining, 209.199219 MB of memory in use. ENERGY: 4111000 755.6699 2095.6729 1935.1539 108.5755 -205564.8974 17378.4517 0.0000 0.0000 34492.5632 -148798.8103 301.2321 -183291.3736 -148697.4358 300.7733 -330.7949 -296.7942 558629.2507 3.5830 3.6154 PRESSURE: 4111200 -289.432 -19.6663 6.75293 -19.6664 -76.988 -197.055 6.75264 -197.056 -200.795 GPRESSURE: 4111200 -236.761 8.96641 -74.5395 -6.24572 -38.4767 -208.248 113.978 -168.027 -200.291 PRESSAVG: 4111200 2.25264 37.2805 -30.5738 37.2806 -52.0086 -5.7421 -30.5737 -5.74217 -2.26117 GPRESSAVG: 4111200 3.01165 38.5614 -30.7281 40.1713 -52.6151 -6.70159 -32.3542 -4.49177 -1.67109 TIMING: 4111200 CPU: 12360.6, 0.00295963/step Wall: 12360.6, 0.00295963/step, 0.730699 hours remaining, 209.199219 MB of memory in use. ENERGY: 4111200 702.2425 2048.8868 1965.3504 103.1045 -205819.3545 17481.9338 0.0000 0.0000 34440.9953 -149076.8412 300.7818 -183517.8365 -148975.2627 300.1667 -189.0716 -158.5098 558640.9001 -17.3390 -17.0915 PRESSURE: 4111400 -138.663 -12.5854 11.5831 -12.5854 401.079 -80.1073 11.5831 -80.1069 37.7321 GPRESSURE: 4111400 -83.8716 4.45298 68.0092 -89.2312 444.931 -61.9158 -50.1853 -154.215 33.4183 PRESSAVG: 4111400 -76.7487 5.45641 45.6286 5.4564 40.1744 -30.4961 45.6287 -30.4961 49.1054 GPRESSAVG: 4111400 -77.8536 3.06849 45.0276 3.02065 41.9357 -30.2613 46.6048 -30.5852 48.2575 TIMING: 4111400 CPU: 12361.2, 0.00296409/step Wall: 12361.2, 0.00296409/step, 0.731635 hours remaining, 209.199219 MB of memory in use. ENERGY: 4111400 763.5157 2106.6565 1926.6057 98.7144 -206414.5011 18139.0247 0.0000 0.0000 34374.3841 -149005.6000 300.2000 -183379.9841 -148915.9563 299.6831 100.0494 131.4927 558724.9293 4.1770 4.1132 PRESSURE: 4111600 27.6507 -52.0628 -34.1527 -52.062 91.2094 84.9296 -34.1522 84.9301 409.31 GPRESSURE: 4111600 61.7203 40.1981 -71.7774 -97.7298 148.039 141.567 14.316 51.5922 415.517 PRESSAVG: 4111600 -6.9618 -49.0139 35.3254 -49.014 -45.3715 5.85087 35.3254 5.85084 68.1342 GPRESSAVG: 4111600 -6.60018 -47.9207 36.1881 -48.3091 -45.5693 6.27319 34.0279 6.05878 67.8054 TIMING: 4111600 CPU: 12361.8, 0.0029866/step Wall: 12361.8, 0.0029866/step, 0.737027 hours remaining, 209.199219 MB of memory in use. ENERGY: 4111600 728.6605 2097.7575 1948.5285 111.6235 -206178.4914 18012.6522 0.0000 0.0000 34358.4629 -148920.8065 300.0610 -183279.2694 -148819.2845 300.0664 176.0568 208.4255 557119.0066 5.2670 5.2120 PRESSURE: 4111800 146.218 -41.6222 -70.8743 -41.6219 -249.098 -12.3054 -70.876 -12.3056 76.117 GPRESSURE: 4111800 208.228 -120.18 -156.841 30.1739 -234.748 54.8582 -26.9289 -112.981 101.572 PRESSAVG: 4111800 19.583 -65.4023 23.3693 -65.4022 -20.4778 -8.60783 23.3692 -8.6078 57.3809 GPRESSAVG: 4111800 19.3697 -66.9097 22.304 -64.0323 -20.9115 -8.65206 25.3336 -9.88807 57.7863 TIMING: 4111800 CPU: 12362.4, 0.00295598/step Wall: 12362.4, 0.00295598/step, 0.729306 hours remaining, 209.199219 MB of memory in use. ENERGY: 4111800 742.2302 2103.1328 1963.3394 112.3970 -205864.7095 17727.2064 0.0000 0.0000 34258.2160 -148958.1878 299.1855 -183216.4038 -148861.0211 299.3712 -8.9211 25.0174 558284.9905 18.8287 18.7482 PRESSURE: 4112000 9.33201 47.4603 -84.7239 47.461 -431.099 3.14235 -84.7243 3.14394 -31.86 GPRESSURE: 4112000 49.5909 -15.6184 -261.633 121.014 -379.957 67.7785 -25.3195 -98.7053 -24.7254 PRESSAVG: 4112000 -7.22228 -14.4109 31.5687 -14.4109 -20.7231 18.2589 31.5687 18.2589 16.654 GPRESSAVG: 4112000 -7.84961 -13.8407 31.0103 -14.486 -20.0479 20.0075 30.6984 18.2361 16.8841 TIMING: 4112000 CPU: 12363, 0.00298628/step Wall: 12363, 0.00298628/step, 0.736616 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: 4112000 706.7905 2164.3340 1956.5472 106.6864 -206159.3211 17609.1764 0.0000 0.0000 34322.4053 -149293.3811 299.7461 -183615.7864 -149189.9395 299.3303 -151.2090 -118.3637 556569.8320 -3.7638 -3.6712 PRESSURE: 4112200 -97.7432 299.608 -114.336 299.608 90.4231 -81.9047 -114.335 -81.9059 19.2538 GPRESSURE: 4112200 -88.5204 218.219 -100.392 204.44 153.337 -117.629 -28.3389 -115.773 42.6648 PRESSAVG: 4112200 -49.882 15.1623 13.6289 15.1623 4.84951 -4.59967 13.6289 -4.59967 14.1111 GPRESSAVG: 4112200 -48.8958 16.7515 15.2377 11.3956 3.01655 -2.95612 12.6621 -5.95579 15.0512 TIMING: 4112200 CPU: 12363.6, 0.00296475/step Wall: 12363.6, 0.00296475/step, 0.731139 hours remaining, 209.199219 MB of memory in use. ENERGY: 4112200 765.3781 2101.4655 1911.3553 107.0371 -206235.6441 17822.7678 0.0000 0.0000 34236.9329 -149290.7073 298.9997 -183527.6402 -149198.4346 299.2902 3.9779 35.8271 556974.2778 -10.3071 -10.2760 LDB: ============= START OF LOAD BALANCING ============== 12367.1 LDB: ============== END OF LOAD BALANCING =============== 12367.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12367.1 LDB: ============= START OF LOAD BALANCING ============== 12367.4 LDB: Largest compute 4802 load 0.026443 is 22.4% of average load 0.118253 LDB: Average compute 0.001709 is 1.4% of average load 0.118253 LDB: TIME 12367.4 LOAD: AVG 0.118253 MAX 0.209747 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.797 MB LDB: TIME 12367.4 LOAD: AVG 0.118253 MAX 0.209747 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.855 MB LDB: TIME 12367.4 LOAD: AVG 0.118253 MAX 0.209747 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.855 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12367.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12367.4 PRESSURE: 4112400 -345.93 -29.7527 31.0273 -29.7525 -172.588 -78.4089 31.0266 -78.4093 -132.181 GPRESSURE: 4112400 -328.55 -38.4946 38.9206 -3.68941 -143.354 -100.952 87.5404 -76.7698 -83.253 PRESSAVG: 4112400 24.6806 63.0754 -45.2297 63.0753 17.0565 -69.7018 -45.2298 -69.7018 -24.2956 GPRESSAVG: 4112400 24.2442 62.4204 -46.0894 64.43 17.0383 -73.4966 -44.4285 -67.4582 -24.1328 TIMING: 4112400 CPU: 12364.2, 0.0030136/step Wall: 12364.2, 0.0030136/step, 0.743019 hours remaining, 208.554688 MB of memory in use. ENERGY: 4112400 745.9429 2060.4314 1926.2898 115.5635 -206202.2455 17717.2020 0.0000 0.0000 34020.8665 -149615.9493 297.1127 -183636.8158 -149522.3081 298.2784 -216.8996 -185.0522 557859.7181 5.8138 5.7165 PRESSURE: 4112600 -199.005 -25.1761 18.9167 -25.1759 45.9646 3.39759 18.9149 3.39811 207.364 GPRESSURE: 4112600 -154.859 -8.22109 31.0494 -54.6702 45.7163 -3.74924 38.693 63.6835 245.828 PRESSAVG: 4112600 11.8491 0.736574 -24.922 0.736561 -46.4984 -42.4224 -24.922 -42.4224 8.46611 GPRESSAVG: 4112600 11.3812 0.741744 -23.642 -0.32578 -46.7075 -43.0527 -24.7085 -41.1144 9.23619 TIMING: 4112600 CPU: 12364.8, 0.00297979/step Wall: 12364.8, 0.00297979/step, 0.734517 hours remaining, 208.554688 MB of memory in use. ENERGY: 4112600 712.6747 2044.3025 1961.7251 101.7342 -206399.7697 17729.2294 0.0000 0.0000 34214.9353 -149635.1685 298.8075 -183850.1038 -149539.3888 298.5985 18.1078 45.5619 556276.2500 -8.7277 -8.6967 PRESSURE: 4112800 -126.841 94.3733 -53.24 94.3731 78.7228 -48.1645 -53.2409 -48.1658 156.86 GPRESSURE: 4112800 -94.2789 77.3186 -103.071 179.811 133.074 -21.0785 -31.489 -87.5375 173.567 PRESSAVG: 4112800 -97.9953 24.956 -39.3281 24.956 33.2403 10.1947 -39.3281 10.1946 54.3637 GPRESSAVG: 4112800 -96.6562 25.9248 -40.4539 25.4923 33.4837 10.706 -39.3283 7.64393 53.2642 TIMING: 4112800 CPU: 12365.4, 0.00301284/step Wall: 12365.4, 0.00301284/step, 0.742498 hours remaining, 208.554688 MB of memory in use. ENERGY: 4112800 746.3440 2069.1294 1934.9366 106.2841 -206564.3616 17923.9120 0.0000 0.0000 34189.5683 -149594.1872 298.5860 -183783.7556 -149504.6524 298.0993 36.2474 70.7873 557025.3139 -3.4638 -3.3027 PRESSURE: 4113000 217.919 -1.36419 -86.9454 -1.36363 7.84881 83.1539 -86.9451 83.1544 -20.6811 GPRESSURE: 4113000 278.936 43.8063 -29.5908 -39.8177 45.466 76.7292 -66.8542 88.8941 -24.9785 PRESSAVG: 4113000 7.30012 5.31775 -36.4644 5.31774 14.3007 -18.9654 -36.4644 -18.9655 -1.04314 GPRESSAVG: 4113000 6.8596 2.31312 -35.6986 7.11907 15.5047 -18.574 -37.4595 -16.6978 -2.04214 TIMING: 4113000 CPU: 12366, 0.00300127/step Wall: 12366, 0.00300127/step, 0.73948 hours remaining, 208.554688 MB of memory in use. ENERGY: 4113000 778.2701 2071.5590 1950.7493 110.8265 -206412.7652 17828.6764 0.0000 0.0000 34093.0977 -149579.5861 297.7435 -183672.6838 -149488.0338 298.0986 68.3622 99.8077 553992.0800 6.8526 6.7741 PRESSURE: 4113200 -333.304 -64.7741 -41.718 -64.7732 -203.152 154.393 -41.7186 154.394 129.861 GPRESSURE: 4113200 -295.148 36.0569 -68.9897 -122.199 -171.782 151.258 -33.9235 145.782 154.865 PRESSAVG: 4113200 13.0418 -42.1192 25.7619 -42.1192 -6.47988 66.5309 25.7619 66.5309 30.9902 GPRESSAVG: 4113200 13.2847 -39.4965 25.4648 -42.9172 -8.51995 67.5017 27.0927 66.0737 32.4021 TIMING: 4113200 CPU: 12366.6, 0.002996/step Wall: 12366.6, 0.002996/step, 0.738015 hours remaining, 208.554688 MB of memory in use. ENERGY: 4113200 754.0644 2124.2274 1904.2562 120.3034 -205933.2408 17553.0072 0.0000 0.0000 34032.0208 -149445.3613 297.2101 -183477.3822 -149348.8584 298.1481 -135.5316 -104.0219 556204.2524 12.5174 12.3889 PRESSURE: 4113400 32.5702 -42.0528 21.613 -42.052 -206.072 2.19407 21.613 2.19378 -231.678 GPRESSURE: 4113400 37.2275 -102.019 -26.2368 35.4407 -210.09 -91.7691 75.8539 67.5967 -143.285 PRESSAVG: 4113400 -86.1514 3.95944 -9.20436 3.95949 55.7393 13.3758 -9.20437 13.3758 24.8714 GPRESSAVG: 4113400 -85.7328 2.34391 -8.39721 4.52468 56.0067 11.4426 -11.944 12.054 23.9593 TIMING: 4113400 CPU: 12367.2, 0.00300241/step Wall: 12367.2, 0.00300241/step, 0.739427 hours remaining, 208.554688 MB of memory in use. ENERGY: 4113400 742.1306 2090.6005 1932.3726 95.5556 -205913.4890 17540.6987 0.0000 0.0000 34423.8602 -149088.2708 300.6321 -183512.1310 -148999.3633 298.5434 -135.0601 -105.3826 557885.9934 -1.8469 -1.9223 PRESSURE: 4113600 159.157 -68.9664 -214.71 -68.9659 81.5023 -90.7435 -214.71 -90.7439 102.75 GPRESSURE: 4113600 220.98 -39.3828 -124.534 -85.4039 99.8705 -56.7541 -197.332 -88.4358 126.351 PRESSAVG: 4113600 -69.0227 12.4887 -27.3768 12.4886 44.9045 -25.3765 -27.3769 -25.3764 13.992 GPRESSAVG: 4113600 -69.938 14.1796 -26.8852 11.3507 44.9967 -23.1625 -28.1812 -25.9547 14.5138 TIMING: 4113600 CPU: 12367.8, 0.0029782/step Wall: 12367.8, 0.0029782/step, 0.7333 hours remaining, 208.554688 MB of memory in use. ENERGY: 4113600 698.5267 2022.1158 1923.0218 124.3597 -206206.4524 17973.1453 0.0000 0.0000 34296.2916 -149168.9916 299.5180 -183465.2832 -149064.0031 299.0667 114.4698 149.0672 558019.5747 -3.3754 -3.4758 PRESSURE: 4113800 39.4291 -42.5738 -59.5079 -42.5739 -158.952 45.0538 -59.5085 45.052 -436.346 GPRESSURE: 4113800 40.0581 -18.9331 -60.7971 -118.221 -176.513 -25.8362 -47.0102 84.6804 -304.295 PRESSAVG: 4113800 4.60773 21.2871 0.0387434 21.2871 -35.4653 -11.7437 0.0388138 -11.7437 -32.1144 GPRESSAVG: 4113800 5.87867 22.001 -0.324296 22.3407 -35.4561 -12.7028 2.63312 -9.57348 -32.7926 TIMING: 4113800 CPU: 12368.4, 0.00294422/step Wall: 12368.4, 0.00294422/step, 0.72477 hours remaining, 208.554688 MB of memory in use. ENERGY: 4113800 749.6732 2039.1912 1976.1618 98.6170 -205788.0698 17494.5211 0.0000 0.0000 34168.0115 -149261.8939 298.3977 -183429.9055 -149166.6616 299.5077 -185.2896 -146.9168 557648.8104 -20.9907 -20.7900 PRESSURE: 4114000 347.821 80.1646 99.4194 80.1643 128.291 115.563 99.4187 115.564 -130.87 GPRESSURE: 4114000 324.299 124.95 104.45 40.0748 165.643 103.526 70.7496 99.0839 -61.0815 PRESSAVG: 4114000 26.9443 25.7016 21.094 25.7016 24.0818 28.6903 21.0939 28.6902 -21.301 GPRESSAVG: 4114000 26.7761 25.0569 21.7071 25.6836 24.7048 29.1333 19.0022 29.7981 -21.5598 TIMING: 4114000 CPU: 12369, 0.00295505/step Wall: 12369, 0.00295505/step, 0.72727 hours remaining, 208.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4114000 736.5627 2071.9700 1922.3580 120.2517 -206065.0645 17820.9444 0.0000 0.0000 34182.1207 -149210.8571 298.5210 -183392.9778 -149118.1153 299.2692 115.0805 142.9536 556686.9911 9.9084 9.9737 PRESSURE: 4114200 119.666 -33.7636 5.41259 -33.7624 141.276 226.489 5.41283 226.491 -94.9496 GPRESSURE: 4114200 115.471 15.1687 -11.0621 -45.251 186.611 152.957 46.1529 233.017 -36.5794 PRESSAVG: 4114200 -7.57509 35.6756 -8.28605 35.6757 28.6887 70.1021 -8.28594 70.102 -47.1499 GPRESSAVG: 4114200 -7.67387 32.9466 -10.9116 37.9368 28.9676 69.9703 -5.09471 66.9238 -46.6487 TIMING: 4114200 CPU: 12369.5, 0.00296616/step Wall: 12369.5, 0.00296616/step, 0.729841 hours remaining, 208.554688 MB of memory in use. ENERGY: 4114200 736.2396 2130.6163 1934.1485 103.2810 -205991.2532 17776.1877 0.0000 0.0000 34301.5623 -149009.2178 299.5641 -183310.7801 -148923.9099 299.4098 55.3309 88.5009 557577.5731 -8.6788 -8.4517 PRESSURE: 4114400 106.286 28.2067 68.3378 28.2074 -317.4 40.4507 68.3371 40.4507 -59.2945 GPRESSURE: 4114400 81.2892 13.8702 16.039 -13.3866 -209.164 72.2018 53.5767 -37.7149 -51.2587 PRESSAVG: 4114400 51.1906 1.28261 33.8716 1.28269 26.7408 22.4428 33.8716 22.4428 -21.92 GPRESSAVG: 4114400 50.8614 3.5957 36.1965 0.493375 26.8031 21.3649 33.7514 22.2683 -22.1926 TIMING: 4114400 CPU: 12370.1, 0.00296225/step Wall: 12370.1, 0.00296225/step, 0.728712 hours remaining, 208.554688 MB of memory in use. ENERGY: 4114400 741.1999 2096.8423 1938.3523 112.2172 -205999.8608 17691.1586 0.0000 0.0000 34396.5057 -149023.5848 300.3932 -183420.0905 -148929.8741 299.8009 -90.1361 -59.7113 558528.0724 18.6705 18.4906 PRESSURE: 4114600 -230.671 182.485 52.0829 182.484 -66.3256 -0.509452 52.0809 -0.508795 -116.704 GPRESSURE: 4114600 -148.224 166.118 63.556 201.231 -87.4701 28.0192 122.345 3.87936 -71.1189 PRESSAVG: 4114600 -10.6626 7.38864 21.3763 7.38866 31.7435 26.46 21.3763 26.46 -55.3535 GPRESSAVG: 4114600 -10.2474 5.63943 18.2978 6.559 31.2284 24.9386 20.4892 29.5148 -55.0676 TIMING: 4114600 CPU: 12370.7, 0.00294544/step Wall: 12370.7, 0.00294544/step, 0.724415 hours remaining, 208.554688 MB of memory in use. ENERGY: 4114600 802.1137 2028.9145 1918.0217 118.6265 -205948.4219 17677.2165 0.0000 0.0000 34337.2510 -149066.2779 299.8758 -183403.5289 -148967.2429 299.6399 -137.9004 -102.2711 558021.6287 -11.4242 -11.3622 PRESSURE: 4114800 -148.1 -116.183 -34.6064 -116.182 -11.4945 71.4656 -34.6081 71.4641 240.072 GPRESSURE: 4114800 -102.015 -101.49 -8.45778 -105.949 17.01 121.332 -98.9655 57.458 268.766 PRESSAVG: 4114800 23.1012 62.3815 -33.5289 62.3815 4.50222 8.3423 -33.5288 8.34227 -16.1352 GPRESSAVG: 4114800 22.5495 62.5773 -30.8489 60.3059 5.64586 9.32023 -35.3579 6.02297 -16.5007 TIMING: 4114800 CPU: 12371.3, 0.00297102/step Wall: 12371.3, 0.00297102/step, 0.73054 hours remaining, 208.554688 MB of memory in use. ENERGY: 4114800 736.9694 2078.9664 1899.7103 104.9845 -205738.0965 17776.3695 0.0000 0.0000 34149.6869 -148991.4095 298.2377 -183141.0964 -148897.7179 299.7849 26.8256 61.2536 559977.7020 3.8227 3.8982 PRESSURE: 4115000 -217.108 19.9394 -5.16729 19.9381 -8.36966 -165.351 -5.16694 -165.351 -170.186 GPRESSURE: 4115000 -204.144 -10.3402 -40.0193 71.752 -3.05781 -200.034 -65.0597 -211.371 -90.132 PRESSAVG: 4115000 -31.6653 -25.9204 -21.8381 -25.9204 33.3233 34.2972 -21.8383 34.2972 25.0085 GPRESSAVG: 4115000 -31.9124 -26.1357 -21.75 -25.5207 32.9678 35.7142 -20.8901 33.4313 25.5529 TIMING: 4115000 CPU: 12371.9, 0.00296891/step Wall: 12371.9, 0.00296891/step, 0.729856 hours remaining, 208.757812 MB of memory in use. ENERGY: 4115000 756.2707 2047.2241 1915.5429 115.0705 -205840.3373 17585.0238 0.0000 0.0000 34582.7635 -148838.4418 302.0199 -183421.2053 -148739.5057 300.3859 -131.8877 -99.1111 559914.4457 8.8888 8.8694 PRESSURE: 4115200 -38.964 30.7543 -101.007 30.7557 -324.351 -38.6828 -101.007 -38.6836 -255.097 GPRESSURE: 4115200 5.20927 44.4178 -68.3773 9.72791 -312.554 48.209 -180.895 -40.4276 -215.14 PRESSAVG: 4115200 24.7236 61.6228 -4.2419 61.6229 -27.5806 -2.65222 -4.24193 -2.65222 21.2458 GPRESSAVG: 4115200 25.1899 63.9096 -2.37816 60.7062 -28.2804 -3.48436 -4.16597 -1.20541 21.3371 TIMING: 4115200 CPU: 12372.5, 0.00294163/step Wall: 12372.5, 0.00294163/step, 0.722987 hours remaining, 208.757812 MB of memory in use. ENERGY: 4115200 769.0752 2145.9574 1919.1019 117.0617 -205811.0892 17627.3124 0.0000 0.0000 34379.5131 -148853.0675 300.2448 -183232.5806 -148762.1250 300.6804 -206.1375 -174.1616 561394.3988 6.1296 6.0822 PRESSURE: 4115400 -145.48 -35.6278 -18.6058 -35.6275 -411.599 210.509 -18.6052 210.509 -138.543 GPRESSURE: 4115400 -102.706 -91.2436 -23.0989 34.2003 -397.853 240.475 -8.21635 168.612 -99.4029 PRESSAVG: 4115400 -18.2229 10.0958 -40.2736 10.0958 -4.72986 -15.0559 -40.2737 -15.0558 6.86087 GPRESSAVG: 4115400 -18.4983 7.69626 -40.8471 11.0837 -3.65136 -15.2563 -41.953 -16.0581 5.56752 TIMING: 4115400 CPU: 12373.1, 0.00297421/step Wall: 12373.1, 0.00297421/step, 0.73083 hours remaining, 208.757812 MB of memory in use. ENERGY: 4115400 777.2787 2117.4412 1947.9189 121.8508 -205640.7696 17516.0697 0.0000 0.0000 34246.4590 -148913.7513 299.0828 -183160.2103 -148818.9883 300.8262 -231.8740 -199.9873 558752.8132 -5.3640 -5.5274 PRESSURE: 4115600 76.0811 73.6794 -177.018 73.6792 153.427 43.0428 -177.019 43.0445 45.2371 GPRESSURE: 4115600 79.8814 59.7946 -178.336 95.8959 131.224 89.5848 -96.3477 -54.0297 157.873 PRESSAVG: 4115600 23.123 1.67567 -48.1175 1.6756 12.723 -25.3898 -48.1175 -25.3898 -24.5478 GPRESSAVG: 4115600 23.0696 1.6443 -48.4919 1.53973 12.5853 -27.7494 -46.9173 -24.3865 -23.9828 TIMING: 4115600 CPU: 12373.7, 0.00297223/step Wall: 12373.7, 0.00297223/step, 0.730177 hours remaining, 208.757812 MB of memory in use. ENERGY: 4115600 731.4731 2072.2836 1967.2682 113.0915 -206104.7924 17900.2231 0.0000 0.0000 34323.2499 -148997.2031 299.7535 -183320.4530 -148895.0345 299.7787 91.5816 122.9928 556957.6316 3.7661 3.8907 PRESSURE: 4115800 75.4014 -117.696 -64.4652 -117.698 238.027 -284.938 -64.4649 -284.938 22.2122 GPRESSURE: 4115800 109.959 -161.595 -10.991 -34.8696 273.098 -341.678 -61.2214 -255.933 63.512 PRESSAVG: 4115800 -6.51202 19.1583 -29.006 19.1583 20.6563 -45.2936 -29.006 -45.2935 -2.43781 GPRESSAVG: 4115800 -6.53132 19.7043 -30.2675 19.1169 20.8017 -43.3238 -27.7422 -43.6135 -2.35578 TIMING: 4115800 CPU: 12374.3, 0.00300112/step Wall: 12374.3, 0.00300112/step, 0.737108 hours remaining, 208.757812 MB of memory in use. ENERGY: 4115800 743.4304 2055.6837 1937.2587 102.8062 -206407.0669 18050.6652 0.0000 0.0000 34545.3205 -148971.9022 301.6929 -183517.2227 -148880.5644 300.2642 111.8803 148.8561 557757.6725 3.9021 3.9715 PRESSURE: 4116000 -75.6701 -42.3588 8.3194 -42.3584 -253.611 -118.837 8.31882 -118.837 13.236 GPRESSURE: 4116000 -83.4766 20.7963 -48.4929 -132.039 -197.032 -147.031 27.0394 -76.8581 75.2305 PRESSAVG: 4116000 -20.6623 18.3327 -21.2696 18.3327 27.495 22.2397 -21.2696 22.2397 -5.28991 GPRESSAVG: 4116000 -20.476 18.7408 -19.3912 18.1309 27.2412 21.0643 -23.755 23.0583 -5.78638 TIMING: 4116000 CPU: 12374.9, 0.00297223/step Wall: 12374.9, 0.00297223/step, 0.729847 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: 4116000 732.1037 2059.3027 1918.8765 115.4164 -206011.2860 17654.8310 0.0000 0.0000 34411.9584 -149118.7972 300.5282 -183530.7557 -149024.0410 300.1981 -105.3485 -68.4261 558136.1577 0.5143 0.3263 PRESSURE: 4116200 81.1852 170.512 -37.124 170.51 107.644 -79.1503 -37.1234 -79.1491 340.158 GPRESSURE: 4116200 148.26 98.819 13.2092 161.777 151.454 -156.889 31.1473 -2.91138 320.881 PRESSAVG: 4116200 -39.8714 -17.4074 16.2341 -17.4073 18.7251 7.45135 16.2341 7.45136 27.7591 GPRESSAVG: 4116200 -40.0777 -18.7934 16.1386 -17.2587 18.5031 8.90511 15.9639 4.62514 28.4077 TIMING: 4116200 CPU: 12375.5, 0.00298671/step Wall: 12375.5, 0.00298671/step, 0.733238 hours remaining, 208.757812 MB of memory in use. ENERGY: 4116200 737.3802 2081.5057 1952.4698 105.2077 -206412.4452 17983.5736 0.0000 0.0000 34332.8084 -149219.4997 299.8370 -183552.3081 -149121.1919 299.6032 176.3292 206.8650 556877.8652 2.2042 2.2777 LDB: ============= START OF LOAD BALANCING ============== 12379 LDB: ============== END OF LOAD BALANCING =============== 12379 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12379 LDB: ============= START OF LOAD BALANCING ============== 12379.3 LDB: Largest compute 4802 load 0.027605 is 23.3% of average load 0.118310 LDB: Average compute 0.001719 is 1.5% of average load 0.118310 LDB: TIME 12379.3 LOAD: AVG 0.11831 MAX 0.205557 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.969 MB LDB: TIME 12379.3 LOAD: AVG 0.11831 MAX 0.205557 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.035 MB LDB: TIME 12379.3 LOAD: AVG 0.11831 MAX 0.205557 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.035 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12379.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12379.3 PRESSURE: 4116400 -227.025 -253.701 53.7628 -253.703 -53.1672 77.2134 53.7635 77.2141 -126.813 GPRESSURE: 4116400 -145.911 -270.847 8.03325 -234.533 -24.9574 65.8776 22.108 95.748 -149.141 PRESSAVG: 4116400 -13.2468 -2.12913 68.148 -2.12911 18.6653 -9.35677 68.148 -9.35678 44.7386 GPRESSAVG: 4116400 -12.7265 -1.80361 67.4073 -0.786579 18.3914 -8.8064 67.561 -7.2046 44.0738 TIMING: 4116400 CPU: 12376.1, 0.0030211/step Wall: 12376.1, 0.0030211/step, 0.741512 hours remaining, 208.378906 MB of memory in use. ENERGY: 4116400 752.6421 2129.5863 1928.5560 110.9935 -206230.3591 17644.5781 0.0000 0.0000 34317.9512 -149346.0520 299.7072 -183664.0032 -149248.7616 299.9390 -135.6686 -106.6696 558559.9246 16.7191 16.5795 PRESSURE: 4116600 72.9337 -0.341845 41.6015 -0.341744 100.189 -82.0582 41.601 -82.0586 -7.14233 GPRESSURE: 4116600 121.857 -67.8979 0.800763 17.4293 156.547 -69.3439 -3.93653 -106.459 -12.932 PRESSAVG: 4116600 -13.9825 -26.1597 -1.41772 -26.1597 10.8736 -33.589 -1.4177 -33.589 12.3496 GPRESSAVG: 4116600 -15.2627 -24.2858 -1.87517 -26.7504 12.7483 -33.3563 1.73489 -35.4913 11.6017 TIMING: 4116600 CPU: 12376.7, 0.00295908/step Wall: 12376.7, 0.00295908/step, 0.726126 hours remaining, 208.582031 MB of memory in use. ENERGY: 4116600 742.0939 2046.3198 1924.1879 110.4869 -206356.3023 17939.7464 0.0000 0.0000 34353.9234 -149239.5441 300.0214 -183593.4674 -149136.9107 299.6641 55.3267 88.4906 557412.5399 3.0802 3.0291 PRESSURE: 4116800 210.289 55.9689 94.1038 55.9688 -157.168 95.8077 94.1047 95.8069 -150.224 GPRESSURE: 4116800 226.161 -137.425 119.453 157.27 -118.547 89.2898 102.499 42.4291 -120.622 PRESSAVG: 4116800 79.5792 61.0926 26.5704 61.0925 -60.0998 31.9502 26.5704 31.9503 -9.12398 GPRESSAVG: 4116800 79.7147 59.5914 26.3365 60.9985 -61.1918 31.5844 26.1967 33.0381 -8.30516 TIMING: 4116800 CPU: 12377.3, 0.00295256/step Wall: 12377.3, 0.00295256/step, 0.724361 hours remaining, 208.582031 MB of memory in use. ENERGY: 4116800 720.3050 2060.4711 1899.4854 109.2373 -205994.9025 17608.2006 0.0000 0.0000 34189.0195 -149408.1837 298.5812 -183597.2031 -149316.4180 299.0459 -32.3676 -4.3357 558351.1148 3.4518 3.4059 PRESSURE: 4117000 -101.573 -9.65589 -52.9626 -9.65614 -39.0759 -234.285 -52.961 -234.285 -107.602 GPRESSURE: 4117000 -73.569 -24.6485 -67.7488 36.8149 -11.2854 -184.764 11.6433 -197.837 -66.1585 PRESSAVG: 4117000 69.7561 72.608 70.0874 72.6079 13.0633 -26.6719 70.0873 -26.6719 -48.098 GPRESSAVG: 4117000 69.556 71.8199 70.5464 73.7071 12.4271 -26.6233 70.8817 -26.8919 -47.794 TIMING: 4117000 CPU: 12377.9, 0.00297046/step Wall: 12377.9, 0.00297046/step, 0.728589 hours remaining, 208.582031 MB of memory in use. ENERGY: 4117000 704.4351 2131.1839 1929.7406 107.4199 -206241.0972 17798.4559 0.0000 0.0000 34159.2955 -149410.5663 298.3216 -183569.8618 -149318.3093 299.0880 -82.7502 -50.3376 559098.7461 11.5738 11.3964 PRESSURE: 4117200 -260.639 -111.391 41.3287 -111.393 -290.791 10.1766 41.3295 10.1784 -190.263 GPRESSURE: 4117200 -245.197 -51.5153 -46.1164 -126.484 -220.303 -32.2931 16.4106 36.1073 -180.085 PRESSAVG: 4117200 -14.7095 12.4001 17.9814 12.4001 5.04177 -47.1571 17.9816 -47.1571 -35.5914 GPRESSAVG: 4117200 -13.3685 11.3097 17.4908 10.1398 5.8226 -48.8683 16.4223 -45.1063 -37.8665 TIMING: 4117200 CPU: 12378.5, 0.0029731/step Wall: 12378.5, 0.0029731/step, 0.729071 hours remaining, 208.582031 MB of memory in use. ENERGY: 4117200 745.2217 2085.6367 1925.4271 120.2766 -206256.5384 17580.5748 0.0000 0.0000 34334.2991 -149465.1024 299.8500 -183799.4015 -149367.3182 298.2346 -247.2311 -215.1952 557834.9805 -15.0864 -15.1375 PRESSURE: 4117400 64.487 -19.6003 32.2585 -19.5996 -254.585 -93.8399 32.2599 -93.8406 -51.269 GPRESSURE: 4117400 73.6634 -16.5211 3.55875 7.89804 -192.647 -116.156 9.52626 -78.3157 -27.8825 PRESSAVG: 4117400 22.0803 -23.2641 -22.1179 -23.2641 28.8894 -0.119656 -22.118 -0.119747 -39.0926 GPRESSAVG: 4117400 20.3902 -22.5901 -19.6086 -21.6254 29.1111 0.261239 -22.7408 -0.855652 -37.369 TIMING: 4117400 CPU: 12379.1, 0.00300067/step Wall: 12379.1, 0.00300067/step, 0.735663 hours remaining, 208.582031 MB of memory in use. ENERGY: 4117400 724.8738 2127.3155 1952.8664 113.8232 -206224.7856 17572.5223 0.0000 0.0000 34130.5851 -149602.7993 298.0709 -183733.3843 -149498.0863 298.4512 -80.4557 -48.9555 556290.7145 3.9591 4.0441 PRESSURE: 4117600 52.4128 -82.6794 -116.656 -82.6789 -7.75283 -94.5623 -116.656 -94.5621 232.517 GPRESSURE: 4117600 63.147 17.8827 -237.441 -180.055 25.8513 -99.4058 -1.39438 -91.573 287.802 PRESSAVG: 4117600 36.3974 -63.9648 -28.7083 -63.9647 -40.9561 1.29022 -28.7083 1.29022 24.6474 GPRESSAVG: 4117600 36.4544 -63.45 -30.7443 -64.3807 -42.4194 1.80186 -26.0474 1.7508 25.6697 TIMING: 4117600 CPU: 12379.7, 0.00302869/step Wall: 12379.7, 0.00302869/step, 0.742366 hours remaining, 208.582031 MB of memory in use. ENERGY: 4117600 739.2848 2197.1921 1926.0570 123.0556 -206476.0640 17905.7638 0.0000 0.0000 34333.5486 -149251.1622 299.8434 -183584.7108 -149157.5645 298.9067 92.3924 125.6000 556658.4032 6.6962 6.5683 PRESSURE: 4117800 -221.952 -7.2693 14.5857 -7.27043 -168.461 59.3289 14.5852 59.3285 -137.346 GPRESSURE: 4117800 -171.054 -34.2906 2.53791 -70.3294 -87.9305 89.7231 -61.6933 -24.3892 -174.567 PRESSAVG: 4117800 9.69531 -37.0118 -38.5286 -37.0118 -19.0845 34.8536 -38.5286 34.8535 -36.0551 GPRESSAVG: 4117800 9.45642 -36.8444 -37.9037 -35.642 -18.8201 34.1087 -38.4064 35.2744 -36.083 TIMING: 4117800 CPU: 12380.3, 0.00298582/step Wall: 12380.3, 0.00298582/step, 0.731691 hours remaining, 208.582031 MB of memory in use. ENERGY: 4117800 761.0635 2109.0204 1940.7951 98.6830 -206147.0022 17562.6087 0.0000 0.0000 34402.3786 -149272.4528 300.4445 -183674.8314 -149182.0265 299.0153 -175.9196 -144.5172 557499.0936 -15.1481 -15.1489 PRESSURE: 4118000 -138.126 127.89 -36.2973 127.888 232.439 -17.3593 -36.297 -17.3588 -22.6417 GPRESSURE: 4118000 -57.6153 154.677 -18.3764 135.216 232.951 -144.824 41.536 74.7271 -0.307335 PRESSAVG: 4118000 -11.1822 45.4804 46.8217 45.4804 55.3267 -57.7403 46.8217 -57.7404 -45.6026 GPRESSAVG: 4118000 -10.2904 46.8347 47.3807 43.6301 56.0114 -57.4978 44.1584 -58.1685 -46.8449 TIMING: 4118000 CPU: 12380.9, 0.0029945/step Wall: 12380.9, 0.0029945/step, 0.733652 hours remaining, 208.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4118000 727.2476 2086.8098 1937.3844 107.2919 -206314.3116 17932.2781 0.0000 0.0000 34233.6846 -149289.6152 298.9713 -183523.2998 -149194.4987 299.5225 23.8902 58.3428 557101.3109 -0.4860 -0.3746 PRESSURE: 4118200 -122.272 56.2591 1.66056 56.2595 -149.109 203.653 1.66124 203.653 -11.2683 GPRESSURE: 4118200 -92.5839 112.532 -67.7707 49.2411 -62.2018 177.76 -1.7724 195.019 -36.162 PRESSAVG: 4118200 32.0984 16.292 -9.88079 16.292 8.46436 -27.982 -9.88078 -27.982 -24.1879 GPRESSAVG: 4118200 31.4981 13.0986 -8.33455 17.9963 7.87351 -26.8342 -8.85659 -30.0556 -23.1604 TIMING: 4118200 CPU: 12381.5, 0.00298139/step Wall: 12381.5, 0.00298139/step, 0.730275 hours remaining, 208.582031 MB of memory in use. ENERGY: 4118200 706.7134 2104.5117 1927.9675 119.1576 -206368.9400 17816.7712 0.0000 0.0000 34331.7027 -149362.1159 299.8273 -183693.8186 -149262.9344 299.3262 -94.2164 -63.6492 557097.0443 5.4583 5.4037 PRESSURE: 4118400 -236.326 130.676 -26.2521 130.674 -52.0673 -105.776 -26.2513 -105.778 -268.875 GPRESSURE: 4118400 -203.255 201.141 -40.0405 84.7829 -47.925 -45.1137 22.1007 -159.719 -214.89 PRESSAVG: 4118400 -0.631843 54.5556 -4.00169 54.5556 -21.4238 36.6929 -4.00162 36.6929 -39.9009 GPRESSAVG: 4118400 -0.741415 56.0565 -6.49673 51.9019 -21.2027 35.2622 -4.1471 36.769 -39.5339 TIMING: 4118400 CPU: 12382.1, 0.00296878/step Wall: 12382.1, 0.00296878/step, 0.727021 hours remaining, 208.582031 MB of memory in use. ENERGY: 4118400 752.6723 2055.6739 1913.4076 125.4041 -206173.9671 17796.3611 0.0000 0.0000 34117.0358 -149413.4124 297.9526 -183530.4482 -149316.4042 298.7334 -185.7560 -155.3566 558315.8903 -20.6522 -20.4927 PRESSURE: 4118600 140.895 5.90763 -129.832 5.90713 15.4084 173.984 -129.832 173.983 -17.6302 GPRESSURE: 4118600 163.251 -14.8274 -235.787 -35.6848 41.3351 165.799 -134.308 149.371 32.3702 PRESSAVG: 4118600 -40.3792 4.08104 2.11647 4.08099 27.865 8.76672 2.11647 8.76672 12.9616 GPRESSAVG: 4118600 -39.8807 4.18748 1.76337 4.97422 27.2921 10.1997 1.42993 8.45793 12.8823 TIMING: 4118600 CPU: 12382.6, 0.00295551/step Wall: 12382.6, 0.00295551/step, 0.723607 hours remaining, 208.632812 MB of memory in use. ENERGY: 4118600 707.7705 2079.8105 1926.0151 107.3604 -206609.3882 18003.5968 0.0000 0.0000 34350.9997 -149433.8352 299.9958 -183784.8349 -149337.4785 299.7066 46.2244 78.9855 557152.2770 0.1492 0.0979 PRESSURE: 4118800 -141.829 -162.508 -5.25709 -162.509 -209.321 173.849 -5.2575 173.848 54.5216 GPRESSURE: 4118800 -86.9573 -193.736 -43.5168 -148.505 -185.71 176.559 71.8339 216.129 70.0424 PRESSAVG: 4118800 67.8481 -43.0249 -24.7479 -43.0248 -49.6381 -8.98481 -24.748 -8.98488 -72.3957 GPRESSAVG: 4118800 68.7851 -41.7007 -26.4558 -43.1129 -49.8248 -11.6837 -22.525 -5.62553 -72.6899 TIMING: 4118800 CPU: 12383.2, 0.00297744/step Wall: 12383.2, 0.00297744/step, 0.72881 hours remaining, 208.632812 MB of memory in use. ENERGY: 4118800 800.3703 2052.9601 1909.1197 114.1710 -206359.2691 17843.4840 0.0000 0.0000 34166.5309 -149472.6331 298.3848 -183639.1640 -149374.1036 298.8389 -98.8761 -67.5415 557498.1171 -18.0619 -17.9098 PRESSURE: 4119000 229.286 122.005 144.514 122.006 -14.4319 48.4957 144.516 48.4947 69.6588 GPRESSURE: 4119000 276.512 121.932 152.561 76.8319 -11.3994 64.1041 21.1532 -15.3335 121.705 PRESSAVG: 4119000 -9.69009 10.5309 -40.3598 10.531 -6.59494 46.5617 -40.3598 46.5617 17.3744 GPRESSAVG: 4119000 -9.78866 9.11135 -38.0436 11.781 -6.93585 47.7709 -41.5099 44.4013 17.3707 TIMING: 4119000 CPU: 12383.8, 0.00296016/step Wall: 12383.8, 0.00296016/step, 0.724418 hours remaining, 208.632812 MB of memory in use. ENERGY: 4119000 722.4460 2045.1347 1936.9284 108.2041 -206770.6799 18009.6467 0.0000 0.0000 34453.4046 -149494.9153 300.8902 -183948.3199 -149397.4093 298.1761 94.8376 128.9394 558398.4610 0.3631 0.2154 PRESSURE: 4119200 -27.4152 69.4766 -24.2798 69.4769 -36.0152 51.4315 -24.2804 51.4321 128.584 GPRESSURE: 4119200 5.78429 47.8228 -48.1304 97.6946 -43.0921 110.068 21.3835 9.69894 202.196 PRESSAVG: 4119200 -34.7333 26.6408 -49.3868 26.6408 -1.81677 -19.9213 -49.3868 -19.9213 46.6411 GPRESSAVG: 4119200 -35.9748 25.6544 -49.2577 26.5324 -0.975417 -20.2379 -51.476 -20.9031 46.6143 TIMING: 4119200 CPU: 12384.4, 0.00299436/step Wall: 12384.4, 0.00299436/step, 0.73262 hours remaining, 208.632812 MB of memory in use. ENERGY: 4119200 747.2712 2056.5024 1937.5889 112.6392 -206693.6268 18097.6871 0.0000 0.0000 34277.9314 -149464.0065 299.3577 -183741.9379 -149368.6510 298.4797 21.7178 54.9626 558156.7222 3.3637 3.2213 PRESSURE: 4119400 -183.56 172.667 -39.3115 172.667 -227.623 174.138 -39.3115 174.14 -116.402 GPRESSURE: 4119400 -156.536 156.409 20.7764 135.261 -178.184 131.026 -77.979 165.752 -103.164 PRESSAVG: 4119400 12.0316 -15.0981 9.87274 -15.098 -13.1836 3.13651 9.87276 3.13656 20.0624 GPRESSAVG: 4119400 12.6341 -13.3114 10.1058 -16.8433 -13.3639 0.696181 11.0018 5.50872 18.803 TIMING: 4119400 CPU: 12385, 0.00299292/step Wall: 12385, 0.00299292/step, 0.732103 hours remaining, 208.632812 MB of memory in use. ENERGY: 4119400 699.6030 2070.7068 1945.4700 119.6058 -206232.4301 17582.4784 0.0000 0.0000 34194.4191 -149620.1469 298.6284 -183814.5660 -149519.5116 298.6232 -175.8618 -145.9614 557414.5830 6.3035 6.0244 PRESSURE: 4119600 166.133 47.1251 -129.316 47.1252 246.022 -0.65062 -129.316 -0.650831 26.2057 GPRESSURE: 4119600 194.828 91.5167 -199.873 44.9928 309.921 47.1716 -5.78687 99.1654 23.6389 PRESSAVG: 4119600 -32.2188 -0.563993 -10.8933 -0.563973 31.333 -19.5465 -10.8933 -19.5465 35.6841 GPRESSAVG: 4119600 -32.367 -1.54231 -10.8815 1.58873 31.3784 -15.1089 -12.3349 -20.2797 35.6983 TIMING: 4119600 CPU: 12385.6, 0.00300575/step Wall: 12385.6, 0.00300575/step, 0.735074 hours remaining, 208.632812 MB of memory in use. ENERGY: 4119600 707.4217 2078.6911 1912.3170 113.9291 -206612.2143 18103.1154 0.0000 0.0000 34247.0003 -149449.7398 299.0876 -183696.7401 -149359.7228 298.8212 146.1202 176.1294 556032.6752 11.5994 11.5699 PRESSURE: 4119800 -66.5819 131.703 38.1934 131.702 -412.335 -71.3055 38.1935 -71.3061 45.4473 GPRESSURE: 4119800 -56.2309 135.642 31.3193 18.4722 -349.027 -84.7461 21.7872 -59.1255 87.9973 PRESSAVG: 4119800 29.5062 36.2153 -20.4971 36.2153 -39.8124 -24.4027 -20.4972 -24.4027 -1.68896 GPRESSAVG: 4119800 28.4129 38.0831 -21.0997 33.5807 -39.8571 -23.1779 -19.7482 -26.9082 -0.33678 TIMING: 4119800 CPU: 12386.2, 0.0029587/step Wall: 12386.2, 0.0029587/step, 0.723402 hours remaining, 208.632812 MB of memory in use. ENERGY: 4119800 753.9776 2089.9085 1918.5159 100.8957 -206338.7309 17742.1637 0.0000 0.0000 34247.1237 -149486.1458 299.0886 -183733.2695 -149389.8441 298.3798 -144.4899 -105.7536 556838.0814 -3.9984 -3.9270 PRESSURE: 4120000 -99.1988 -46.1143 181.95 -46.1132 -6.87885 -91.4861 181.949 -91.4862 -195.792 GPRESSURE: 4120000 -74.8169 -85.5998 153.484 -19.0823 106.967 -133.264 156.19 -56.4559 -250.787 PRESSAVG: 4120000 25.6773 32.4965 25.3263 32.4966 -47.9462 5.2976 25.3263 5.29753 16.4116 GPRESSAVG: 4120000 26.2016 32.2502 25.7338 33.797 -47.7612 4.14031 24.5897 7.11145 15.5737 TIMING: 4120000 CPU: 12386.8, 0.00295669/step Wall: 12386.8, 0.00295669/step, 0.722747 hours remaining, 208.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4120000 723.6065 2072.4080 1927.4442 104.1874 -206079.7728 17784.6600 0.0000 0.0000 34073.9479 -149393.5188 297.5763 -183467.4667 -149296.1554 298.1117 -100.6231 -72.8789 557792.5556 -1.9524 -1.9953 PRESSURE: 4120200 31.3261 47.2557 132.728 47.2552 -5.49687 16.0549 132.727 16.0563 133.887 GPRESSURE: 4120200 64.5348 106.303 169.342 -44.6968 51.9646 34.1601 186.386 48.6461 142.35 PRESSAVG: 4120200 21.5058 19.212 39.4399 19.212 0.429203 -12.1118 39.4399 -12.1119 9.21039 GPRESSAVG: 4120200 21.2584 19.3796 37.2176 19.8869 0.127826 -12.0086 41.2727 -14.0116 9.27061 TIMING: 4120200 CPU: 12387.4, 0.00297038/step Wall: 12387.4, 0.00297038/step, 0.725927 hours remaining, 208.632812 MB of memory in use. ENERGY: 4120200 737.5547 2078.2164 1927.4460 103.1929 -206394.8729 17976.4139 0.0000 0.0000 34307.7224 -149264.3265 299.6179 -183572.0489 -149162.0246 298.2954 53.2386 86.2831 557742.9284 10.3818 10.2189 LDB: ============= START OF LOAD BALANCING ============== 12390.9 LDB: ============== END OF LOAD BALANCING =============== 12390.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12390.9 LDB: ============= START OF LOAD BALANCING ============== 12391.2 LDB: Largest compute 4802 load 0.027508 is 23.3% of average load 0.118231 LDB: Average compute 0.001722 is 1.5% of average load 0.118231 LDB: TIME 12391.2 LOAD: AVG 0.118231 MAX 0.206979 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.223 MB LDB: TIME 12391.2 LOAD: AVG 0.118231 MAX 0.206979 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.426 MB LDB: TIME 12391.2 LOAD: AVG 0.118231 MAX 0.206979 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.426 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12391.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12391.2 PRESSURE: 4120400 59.4907 245.227 -89.0735 245.227 -74.4669 -147.911 -89.0728 -147.91 -330.916 GPRESSURE: 4120400 72.1637 180.957 -160.174 195.696 -18.6829 -88.7581 -40.0035 -120.276 -309.274 PRESSAVG: 4120400 23.9188 9.19425 -19.3734 9.19433 -10.3789 -38.9937 -19.3734 -38.9936 -8.12368 GPRESSAVG: 4120400 25.0209 8.82121 -19.2094 8.91798 -11.0955 -40.3337 -19.6641 -38.4317 -8.57243 TIMING: 4120400 CPU: 12388, 0.00300609/step Wall: 12388, 0.00300609/step, 0.734488 hours remaining, 210.484375 MB of memory in use. ENERGY: 4120400 742.6080 2040.5856 1941.7162 103.7834 -206131.7090 17615.3127 0.0000 0.0000 34257.1190 -149430.5841 299.1759 -183687.7031 -149330.9349 298.8837 -115.2973 -85.2644 557187.7697 1.8054 1.7844 PRESSURE: 4120600 -220.931 -41.609 -69.9181 -41.6104 -37.2162 -37.6945 -69.9185 -37.6933 -110.477 GPRESSURE: 4120600 -196.491 19.6085 -133.776 -14.7694 23.7065 -24.4644 -88.9863 -59.256 -83.5124 PRESSAVG: 4120600 -14.8002 -18.7922 12.8306 -18.7923 -14.6843 -33.3339 12.8306 -33.3338 54.3188 GPRESSAVG: 4120600 -15.2572 -18.849 13.8709 -17.7285 -12.6714 -35.1784 13.0143 -30.9029 53.0491 TIMING: 4120600 CPU: 12388.6, 0.00293685/step Wall: 12388.6, 0.00293685/step, 0.717408 hours remaining, 210.554688 MB of memory in use. ENERGY: 4120600 721.2188 2081.4013 1926.6107 101.4027 -206093.5006 17602.9453 0.0000 0.0000 34269.0214 -149390.9004 299.2799 -183659.9218 -149298.2279 298.8673 -122.8750 -85.4325 558558.7956 8.2781 8.3735 PRESSURE: 4120800 -83.947 -97.7734 -122.245 -97.7733 -80.4218 27.6133 -122.245 27.6116 125.774 GPRESSURE: 4120800 -77.6898 -166.459 -143.994 -61.8389 -47.7056 20.7354 -113.45 67.7966 175.683 PRESSAVG: 4120800 -17.0716 3.86003 -51.221 3.85998 8.69694 -8.30584 -51.221 -8.30584 23.1974 GPRESSAVG: 4120800 -17.8307 2.31237 -51.6464 3.41968 8.57305 -4.89848 -50.9784 -9.15609 24.0773 TIMING: 4120800 CPU: 12389.2, 0.00295376/step Wall: 12389.2, 0.00295376/step, 0.721373 hours remaining, 210.554688 MB of memory in use. ENERGY: 4120800 748.3013 2035.2473 1933.3300 126.9868 -206293.3822 17917.0314 0.0000 0.0000 34233.8735 -149298.6119 298.9729 -183532.4854 -149195.0400 299.2797 -12.8650 16.7624 557969.6511 4.9409 4.9399 PRESSURE: 4121000 -190.628 -56.3716 18.8129 -56.3729 -37.2616 -71.9917 18.8142 -71.9916 54.7954 GPRESSURE: 4121000 -109.181 -37.0147 -56.4586 21.2144 1.3495 -82.2546 63.8759 -45.3468 31.4321 PRESSAVG: 4121000 -57.0621 22.0638 4.08049 22.0638 34.2599 -8.70601 4.0806 -8.70595 35.9101 GPRESSAVG: 4121000 -56.7355 22.9998 3.8273 22.3606 33.7487 -9.59229 4.02644 -8.36334 35.6034 TIMING: 4121000 CPU: 12389.8, 0.00295182/step Wall: 12389.8, 0.00295182/step, 0.720737 hours remaining, 210.554688 MB of memory in use. ENERGY: 4121000 723.8198 2095.8340 1945.5865 109.0379 -206244.1739 17827.7264 0.0000 0.0000 34172.7696 -149369.3997 298.4393 -183542.1694 -149274.7691 298.9845 -57.6981 -25.4663 558288.6563 4.3693 4.2055 PRESSURE: 4121200 -138.734 155.891 46.0537 155.89 -282.125 9.81296 46.0536 9.81373 -3.49884 GPRESSURE: 4121200 -86.9775 185.182 47.8127 126.435 -303.815 25.1984 10.909 18.0171 55.487 PRESSAVG: 4121200 -75.3183 -40.4003 70.8367 -40.4002 -3.93488 -43.8218 70.8368 -43.8219 58.0466 GPRESSAVG: 4121200 -76.267 -39.3133 69.7898 -40.4436 -3.61844 -46.4709 71.0157 -43.5178 58.4806 TIMING: 4121200 CPU: 12390.4, 0.00296396/step Wall: 12390.4, 0.00296396/step, 0.723537 hours remaining, 210.554688 MB of memory in use. ENERGY: 4121200 730.4617 2110.2584 1950.1484 119.1859 -206159.7904 17684.0557 0.0000 0.0000 34122.7202 -149442.9602 298.0022 -183565.6804 -149345.6281 298.5442 -141.4525 -111.7685 558732.7209 -7.0689 -7.1350 PRESSURE: 4121400 321.552 -6.15439 -15.6308 -6.15355 229.099 -238.262 -15.6315 -238.264 14.8627 GPRESSURE: 4121400 347.864 -79.9296 -47.2646 -62.5696 191.145 -171.639 53.4952 -255.45 132.632 PRESSAVG: 4121400 17.8796 31.3911 23.7073 31.3912 -20.8591 -3.96908 23.7072 -3.96912 67.0941 GPRESSAVG: 4121400 17.6741 30.5246 24.3834 30.3555 -21.288 -4.18495 24.0652 -2.54406 67.1701 TIMING: 4121400 CPU: 12391, 0.0029479/step Wall: 12391, 0.0029479/step, 0.719451 hours remaining, 210.554688 MB of memory in use. ENERGY: 4121400 769.5439 2059.4271 1957.7254 102.6708 -206674.0599 18098.4176 0.0000 0.0000 34323.8498 -149362.4254 299.7587 -183686.2752 -149258.3304 298.6104 188.5046 223.8804 556136.1974 21.3715 21.1854 PRESSURE: 4121600 203.838 139.639 153.229 139.639 -229.62 50.3272 153.229 50.3273 -104.586 GPRESSURE: 4121600 220.86 112.922 245.712 211.039 -188.461 61.7292 179.668 163.597 -64.0688 PRESSAVG: 4121600 -7.03596 57.0772 54.263 57.0771 -10.2474 24.1662 54.2631 24.1663 37.3529 GPRESSAVG: 4121600 -7.38698 56.809 54.8755 57.8057 -9.7234 26.3844 52.9033 23.3335 37.3186 TIMING: 4121600 CPU: 12391.6, 0.00297633/step Wall: 12391.6, 0.00297633/step, 0.726224 hours remaining, 210.554688 MB of memory in use. ENERGY: 4121600 763.3659 2048.7408 1974.6339 104.3246 -206368.7694 17804.8473 0.0000 0.0000 34460.6676 -149212.1894 300.9536 -183672.8570 -149114.3533 299.6591 -43.4560 -10.5567 556313.8123 6.6898 6.7361 PRESSURE: 4121800 -367.795 8.83936 43.409 8.83955 -254.512 79.5679 43.4077 79.5671 -230.575 GPRESSURE: 4121800 -298.994 21.5893 29.3653 -57.6191 -235.249 43.119 44.3869 137.954 -232.256 PRESSAVG: 4121800 -75.828 74.7916 36.5505 74.7916 13.0667 0.954391 36.5505 0.954401 32.0364 GPRESSAVG: 4121800 -75.6415 75.907 37.9494 75.7098 12.9862 0.798883 36.5783 0.434173 31.6744 TIMING: 4121800 CPU: 12392.1, 0.00296542/step Wall: 12392.1, 0.00296542/step, 0.723397 hours remaining, 210.554688 MB of memory in use. ENERGY: 4121800 751.5693 2111.0082 1929.5979 113.2149 -205746.0180 17363.6875 0.0000 0.0000 34259.6284 -149217.3118 299.1979 -183476.9402 -149123.5130 299.3408 -284.2940 -255.4997 557531.0025 -10.2417 -10.3270 PRESSURE: 4122000 -36.0767 23.0335 14.2933 23.0322 0.119509 -4.70725 14.293 -4.70771 59.1822 GPRESSURE: 4122000 -1.60209 -25.3569 30.1193 -35.345 65.6614 -64.5077 68.5628 30.0801 58.4019 PRESSAVG: 4122000 11.0635 8.27896 52.0442 8.27885 54.9709 14.1177 52.0442 14.1177 -46.8287 GPRESSAVG: 4122000 11.6313 5.16739 50.6044 7.25235 54.0212 12.4792 52.564 12.3027 -46.3785 TIMING: 4122000 CPU: 12392.7, 0.00299434/step Wall: 12392.7, 0.00299434/step, 0.730287 hours remaining, 210.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4122000 740.7374 2065.4239 1954.8466 110.0246 -206317.5628 17747.7165 0.0000 0.0000 34537.9872 -149160.8266 301.6288 -183698.8137 -149062.7508 299.9750 7.7417 40.8204 557113.3265 6.4019 6.4247 PRESSURE: 4122200 129.793 50.5807 -49.6539 50.58 251.097 -94.1857 -49.6551 -94.1858 -95.964 GPRESSURE: 4122200 163.696 54.1442 48.8311 64.7823 277.863 -127.967 -61.3825 -79.6523 -50.9373 PRESSAVG: 4122200 -33.4556 58.0912 34.8074 58.0911 29.7437 -20.934 34.8075 -20.934 -30.6222 GPRESSAVG: 4122200 -34.1798 59.2985 35.2464 58.5892 30.8164 -19.8952 35.8797 -20.7272 -31.1692 TIMING: 4122200 CPU: 12393.3, 0.00294078/step Wall: 12393.3, 0.00294078/step, 0.717061 hours remaining, 210.554688 MB of memory in use. ENERGY: 4122200 723.0302 2085.9671 1942.7395 120.0115 -206250.4715 17839.9181 0.0000 0.0000 34358.1833 -149180.6218 300.0586 -183538.8051 -149083.4313 300.3486 94.9756 130.2074 556611.6580 -11.4447 -11.5109 PRESSURE: 4122400 -229.82 55.4666 20.8512 55.4659 7.72382 -5.74453 20.8507 -5.7428 -41.2936 GPRESSURE: 4122400 -188.83 123.035 10.1046 86.629 15.7086 94.7482 26.3136 -81.1126 2.62544 PRESSAVG: 4122400 19.7421 16.0265 73.0187 16.0264 3.7163 -52.3264 73.0187 -52.3266 -11.6799 GPRESSAVG: 4122400 20.1233 17.9665 71.3916 15.3751 4.29527 -50.7961 72.2514 -53.6294 -12.2019 TIMING: 4122400 CPU: 12393.9, 0.00297946/step Wall: 12393.9, 0.00297946/step, 0.726327 hours remaining, 210.554688 MB of memory in use. ENERGY: 4122400 778.5091 2089.9345 1929.1129 107.3653 -205980.9578 17712.5106 0.0000 0.0000 34243.3654 -149120.1600 299.0558 -183363.5254 -149024.3278 299.3873 -87.7965 -56.8318 555768.0493 3.9262 4.0722 PRESSURE: 4122600 -187.525 88.7739 207.385 88.7731 -314.815 103.557 207.386 103.557 -196.214 GPRESSURE: 4122600 -190.335 123.314 310.164 22.4046 -287.416 89.9217 174.033 20.4207 -128.566 PRESSAVG: 4122600 -63.1765 30.956 25.5661 30.956 -27.0855 45.3017 25.5661 45.3017 60.4652 GPRESSAVG: 4122600 -62.6305 29.6012 27.5882 30.7902 -27.4768 45.2044 24.3976 45.1679 60.5587 TIMING: 4122600 CPU: 12394.5, 0.00300273/step Wall: 12394.5, 0.00300273/step, 0.731832 hours remaining, 210.554688 MB of memory in use. ENERGY: 4122600 782.5302 2117.5235 1921.9502 106.3336 -205567.2769 17405.5074 0.0000 0.0000 34288.7678 -148944.6642 299.4523 -183233.4320 -148850.9742 299.8232 -232.8514 -202.1058 558645.0151 -9.9323 -9.8496 PRESSURE: 4122800 71.9137 67.3534 61.6678 67.3539 95.4564 -57.2552 61.6684 -57.2543 -8.11435 GPRESSURE: 4122800 132.819 95.2916 98.6012 88.325 103.864 -20.0373 106.187 -129.254 14.486 PRESSAVG: 4122800 -26.1991 65.4159 14.6099 65.4161 69.369 -25.2375 14.6099 -25.2376 -33.3146 GPRESSAVG: 4122800 -27.4332 65.0964 14.9198 65.7086 69.7331 -25.7808 15.0299 -24.8186 -32.07 TIMING: 4122800 CPU: 12395.1, 0.00301367/step Wall: 12395.1, 0.00301367/step, 0.734331 hours remaining, 210.554688 MB of memory in use. ENERGY: 4122800 748.3374 2126.0299 1942.8141 108.9136 -206090.7591 17936.9871 0.0000 0.0000 34154.0947 -149073.5822 298.2762 -183227.6769 -148977.3360 299.9584 53.0853 83.7231 557642.4379 3.2851 3.4100 PRESSURE: 4123000 -117.84 -150.85 12.722 -150.849 138.979 31.9452 12.7218 31.9444 205.666 GPRESSURE: 4123000 -85.2968 -188.323 65.7133 -136.248 184.972 -176.428 -6.02547 143.18 217.99 PRESSAVG: 4123000 -26.5963 26.947 -7.20495 26.9471 45.2333 2.5055 -7.20497 2.50546 2.48472 GPRESSAVG: 4123000 -24.8757 27.5813 -7.82071 27.8378 44.5417 0.761565 -7.11866 3.38401 2.06199 TIMING: 4123000 CPU: 12395.7, 0.00295769/step Wall: 12395.7, 0.00295769/step, 0.720526 hours remaining, 210.554688 MB of memory in use. ENERGY: 4123000 708.9345 2140.3625 1923.0334 105.8128 -206081.0148 17972.2664 0.0000 0.0000 34101.8937 -149128.7116 297.8203 -183230.6053 -149024.6665 299.6582 75.6015 105.8882 558169.2061 7.0406 7.2427 PRESSURE: 4123200 147.495 -20.9064 76.734 -20.9067 77.6121 55.3394 76.7339 55.3419 -29.7743 GPRESSURE: 4123200 182.356 19.2199 122.262 -8.69244 67.8158 35.4544 50.7624 51.3355 44.2318 PRESSAVG: 4123200 -38.0543 31.9201 -29.4219 31.92 7.65461 -21.986 -29.4218 -21.9859 60.2868 GPRESSAVG: 4123200 -39.6827 29.7208 -31.1645 31.3531 8.60227 -21.5547 -27.2673 -20.9323 61.6639 TIMING: 4123200 CPU: 12396.3, 0.00293839/step Wall: 12396.3, 0.00293839/step, 0.715661 hours remaining, 210.554688 MB of memory in use. ENERGY: 4123200 746.1681 2053.3330 1961.5519 103.5102 -206477.0594 18162.4923 0.0000 0.0000 34243.2228 -149206.7810 299.0546 -183450.0038 -149105.3366 299.1697 65.1108 98.1344 558099.1038 9.9624 10.1945 PRESSURE: 4123400 45.5145 -11.3544 -63.2443 -11.355 -205.249 0.279276 -63.244 0.28103 -108.89 GPRESSURE: 4123400 88.61 10.3 -92.1801 43.257 -161.077 49.5692 -116.529 -88.9334 -100.137 PRESSAVG: 4123400 -37.3705 -5.67645 -28.441 -5.67638 14.4006 53.7794 -28.441 53.7796 14.5067 GPRESSAVG: 4123400 -37.6663 -3.77418 -28.3304 -5.07007 14.9176 55.4144 -29.5176 52.7212 14.0661 TIMING: 4123400 CPU: 12396.9, 0.00293594/step Wall: 12396.9, 0.00293593/step, 0.7149 hours remaining, 210.554688 MB of memory in use. ENERGY: 4123400 732.9352 2086.9081 1946.5425 120.8214 -206031.3111 17700.5228 0.0000 0.0000 34120.0535 -149323.5275 297.9789 -183443.5810 -149228.9548 298.0285 -89.5415 -57.5349 558445.6232 -2.8211 -2.8942 PRESSURE: 4123600 -151.781 -15.5321 -131.014 -15.5318 27.1783 -137.641 -131.013 -137.64 -143.509 GPRESSURE: 4123600 -118.055 28.0626 -64.1405 -5.87974 23.8763 -82.7844 -2.71874 -135.05 -81.0227 PRESSAVG: 4123600 42.5591 28.5329 -8.61248 28.533 -51.5656 16.495 -8.61247 16.495 36.6707 GPRESSAVG: 4123600 43.7336 27.7527 -7.1445 28.8199 -52.1147 15.2416 -9.0126 14.731 36.0527 TIMING: 4123600 CPU: 12397.5, 0.00297177/step Wall: 12397.5, 0.00297177/step, 0.72346 hours remaining, 210.554688 MB of memory in use. ENERGY: 4123600 774.0598 2095.4339 1936.8747 114.0191 -206271.5814 17889.8897 0.0000 0.0000 34281.9500 -149179.3542 299.3928 -183461.3042 -149083.0113 299.4059 -89.3704 -58.4005 558533.0827 9.2214 9.2239 PRESSURE: 4123800 -43.6357 -3.86835 71.5677 -3.86852 -143.329 171.824 71.566 171.823 48.2029 GPRESSURE: 4123800 -34.5413 -39.3288 110.196 8.36173 -49.7319 172.691 19.4337 199.169 45.0932 PRESSAVG: 4123800 23.9971 0.440618 8.62925 0.440649 -21.6176 16.0893 8.62924 16.0892 -30.3777 GPRESSAVG: 4123800 22.1316 0.782227 6.9198 0.159726 -21.1439 15.0512 9.30876 18.7589 -28.8536 TIMING: 4123800 CPU: 12398.1, 0.00294715/step Wall: 12398.1, 0.00294715/step, 0.717304 hours remaining, 210.757812 MB of memory in use. ENERGY: 4123800 771.9919 2133.2719 1936.8335 111.8875 -205971.4774 17769.8988 0.0000 0.0000 34123.9368 -149123.6571 298.0128 -183247.5939 -149035.5134 299.4160 -46.2538 -13.0600 558163.5681 -9.3327 -9.2886 PRESSURE: 4124000 -224.379 -3.90439 -97.4107 -3.90371 -77.9771 -118.082 -97.4105 -118.083 92.9318 GPRESSURE: 4124000 -216.83 39.1891 -101.764 -33.7315 -35.6444 -196.623 -90.9517 -51.0445 143.143 PRESSAVG: 4124000 -26.042 -10.5151 -18.656 -10.5151 -8.87771 -16.0575 -18.6559 -16.0575 9.48489 GPRESSAVG: 4124000 -24.6593 -9.74006 -17.2861 -11.5005 -10.4432 -14.5486 -20.1716 -18.1463 9.52128 TIMING: 4124000 CPU: 12398.7, 0.00294885/step Wall: 12398.7, 0.00294884/step, 0.717552 hours remaining, 210.757812 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: 4124000 739.5909 2041.6735 1969.1432 123.9697 -206057.0797 17671.1708 0.0000 0.0000 34210.4733 -149301.0583 298.7686 -183511.5316 -149209.1058 299.0295 -69.8083 -36.4437 556609.5333 -8.4783 -8.5271 PRESSURE: 4124200 135.027 103.817 15.9113 103.817 -162.33 103.341 15.9123 103.34 -259.848 GPRESSURE: 4124200 139.653 76.0715 161.478 86.5299 -89.678 98.6901 -63.2946 66.2919 -233.662 PRESSAVG: 4124200 -17.5426 19.992 45.498 19.9921 16.1755 -6.48633 45.498 -6.4862 2.05935 GPRESSAVG: 4124200 -17.4523 18.476 45.6027 21.6399 17.1054 -7.93272 48.0531 -6.46309 0.919254 TIMING: 4124200 CPU: 12399.3, 0.00297846/step Wall: 12399.3, 0.00297846/step, 0.724594 hours remaining, 210.757812 MB of memory in use. ENERGY: 4124200 752.4020 2065.5329 1943.1963 98.2181 -206292.8946 17876.8790 0.0000 0.0000 34225.8487 -149330.8176 298.9028 -183556.6663 -149228.3179 298.8504 -95.7169 -61.2291 557475.4069 0.2308 0.1908 LDB: ============= START OF LOAD BALANCING ============== 12402.8 LDB: ============== END OF LOAD BALANCING =============== 12402.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12402.8 LDB: ============= START OF LOAD BALANCING ============== 12403.1 LDB: Largest compute 4802 load 0.026883 is 22.8% of average load 0.118157 LDB: Average compute 0.001724 is 1.5% of average load 0.118157 LDB: TIME 12403.1 LOAD: AVG 0.118157 MAX 0.210327 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 12403.1 LOAD: AVG 0.118157 MAX 0.210327 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: TIME 12403.1 LOAD: AVG 0.118157 MAX 0.210327 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.199 MB LDB: ============== END OF LOAD BALANCING =============== 12403.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12403.1 PRESSURE: 4124400 4.56345 160.192 -27.8903 160.192 -60.3482 49.5591 -27.89 49.5595 186.881 GPRESSURE: 4124400 43.7753 150.768 -29.4263 123.034 -12.6948 100.356 -16.5895 37.7042 211.615 PRESSAVG: 4124400 4.5683 46.4698 66.1202 46.4697 24.6535 8.1132 66.1202 8.11324 -46.2071 GPRESSAVG: 4124400 4.61923 47.5329 66.2071 45.4342 25.2595 8.39654 64.6597 9.55246 -46.7236 TIMING: 4124400 CPU: 12399.9, 0.00302974/step Wall: 12399.9, 0.00302974/step, 0.736899 hours remaining, 208.195312 MB of memory in use. ENERGY: 4124400 757.3746 2092.8510 1922.5792 107.8515 -206258.7561 17960.0484 0.0000 0.0000 34006.6819 -149411.3696 296.9888 -183418.0515 -149317.2303 298.4484 43.6988 80.8985 557624.7276 -5.6618 -5.6150 PRESSURE: 4124600 -115.344 64.914 -45.0564 64.914 53.7826 74.4057 -45.0553 74.4047 -185.288 GPRESSURE: 4124600 -79.0484 60.0923 -9.56156 61.3646 44.6235 76.4565 -64.6403 57.8647 -126.594 PRESSAVG: 4124600 -68.2813 1.50975 -2.86558 1.50968 40.9786 -19.2242 -2.86563 -19.2241 24.9945 GPRESSAVG: 4124600 -67.6582 -1.25991 -2.99981 3.87579 40.3254 -18.3896 -2.80801 -19.8661 24.9652 TIMING: 4124600 CPU: 12400.5, 0.0029887/step Wall: 12400.5, 0.0029887/step, 0.726752 hours remaining, 208.394531 MB of memory in use. ENERGY: 4124600 753.9992 2091.9049 1934.4787 116.8640 -206435.6158 17800.5333 0.0000 0.0000 34345.5221 -149392.3135 299.9480 -183737.8356 -149299.4162 298.8141 -82.2831 -53.6731 557550.5332 -0.7694 -0.7892 PRESSURE: 4124800 88.202 -73.3256 181.752 -73.3245 -59.4847 26.8416 181.752 26.8417 -103.635 GPRESSURE: 4124800 172.158 -51.3899 134.146 -96.8343 -36.0106 -48.0997 177.161 113.507 -114.658 PRESSAVG: 4124800 4.48059 11.7455 37.0473 11.7455 -2.23339 -17.8944 37.0473 -17.8945 45.5611 GPRESSAVG: 4124800 2.82785 14.555 35.5672 9.49281 -2.35954 -16.5183 37.7352 -19.4125 46.6981 TIMING: 4124800 CPU: 12401.1, 0.00301223/step Wall: 12401.1, 0.00301223/step, 0.732306 hours remaining, 208.394531 MB of memory in use. ENERGY: 4124800 736.3236 2060.5121 1933.9547 114.3019 -206266.6550 17896.0973 0.0000 0.0000 34209.7292 -149315.7361 298.7621 -183525.4653 -149209.1895 298.6736 -24.9727 7.1631 558155.6996 15.9361 15.7221 PRESSURE: 4125000 14.7614 -151.974 -58.2717 -151.975 -116.232 5.378 -58.2728 5.37883 -251.276 GPRESSURE: 4125000 -2.53138 -78.2671 -81.3922 -149.57 -62.8599 -35.5257 -51.2596 68.6433 -187.812 PRESSAVG: 4125000 -11.0787 47.4113 59.9759 47.4113 -32.3308 8.69499 59.9761 8.695 10.5961 GPRESSAVG: 4125000 -10.9113 46.3379 60.6356 48.263 -31.6684 5.91786 60.5387 9.75408 9.75799 TIMING: 4125000 CPU: 12401.7, 0.00298492/step Wall: 12401.7, 0.00298492/step, 0.725502 hours remaining, 208.394531 MB of memory in use. ENERGY: 4125000 752.8748 2095.8912 1926.7905 116.2740 -206297.6507 17685.9371 0.0000 0.0000 34349.0332 -149370.8499 299.9787 -183719.8831 -149268.8889 298.3940 -117.5821 -84.4011 557015.0849 -10.9378 -10.9406 PRESSURE: 4125200 -122.319 -111.221 -6.68083 -111.221 -216.366 -206.224 -6.67991 -206.225 -298.095 GPRESSURE: 4125200 -46.1822 -144.488 42.2625 -19.2341 -223.441 -108.408 -98.165 -213.165 -267.828 PRESSAVG: 4125200 22.8758 -30.61 43.5411 -30.61 -40.7506 21.5578 43.5412 21.5579 69.7021 GPRESSAVG: 4125200 23.8014 -27.9978 45.4394 -32.6938 -41.4729 20.5358 41.3757 23.6509 68.8243 TIMING: 4125200 CPU: 12402.3, 0.00296985/step Wall: 12402.3, 0.00296985/step, 0.721673 hours remaining, 208.394531 MB of memory in use. ENERGY: 4125200 745.0659 2143.2642 1903.6782 115.9811 -206266.4710 17628.7036 0.0000 0.0000 34433.9021 -149295.8760 300.7198 -183729.7781 -149191.2833 299.3088 -212.2600 -179.1504 557748.4880 17.2758 17.0510 PRESSURE: 4125400 159.231 47.8446 29.4108 47.845 -54.7226 67.4871 29.4107 67.4874 139.485 GPRESSURE: 4125400 222.174 50.4385 64.6908 63.2913 1.38902 19.0388 -16.4218 116.967 119.102 PRESSAVG: 4125400 10.2485 -9.28085 -0.64226 -9.28084 5.38385 53.8322 -0.642241 53.8322 -27.983 GPRESSAVG: 4125400 10.0836 -10.2275 -1.65751 -8.28493 5.21458 56.1168 -0.236366 50.646 -27.4637 TIMING: 4125400 CPU: 12402.9, 0.00295888/step Wall: 12402.9, 0.00295888/step, 0.718844 hours remaining, 208.394531 MB of memory in use. ENERGY: 4125400 711.3748 2046.3700 1921.6435 111.3592 -206352.5976 17887.3616 0.0000 0.0000 34328.8942 -149345.5943 299.8028 -183674.4885 -149251.0800 299.0786 81.3310 114.2217 557530.3414 -4.1169 -4.0552 PRESSURE: 4125600 62.0341 48.8859 79.1897 48.888 62.8262 -37.6585 79.1885 -37.6595 82.6846 GPRESSURE: 4125600 95.1986 102.816 105.677 87.8852 98.5731 -13.9455 88.6528 -5.04086 101.431 PRESSAVG: 4125600 67.1474 -16.6651 30.7656 -16.6651 -12.2595 -4.13125 30.7656 -4.13126 -50.487 GPRESSAVG: 4125600 67.7285 -15.466 30.2942 -16.7774 -12.0209 -4.36848 32.4673 -2.35887 -50.6333 TIMING: 4125600 CPU: 12403.5, 0.00296506/step Wall: 12403.5, 0.00296506/step, 0.720181 hours remaining, 208.394531 MB of memory in use. ENERGY: 4125600 744.1130 2125.6585 1925.3196 118.5175 -206583.4234 17955.8960 0.0000 0.0000 34412.2035 -149301.7152 300.5303 -183713.9187 -149197.6514 299.2558 69.1816 98.4009 556981.2783 1.4670 1.6914 PRESSURE: 4125800 -56.3029 -113.26 -73.1101 -113.261 434.866 -21.199 -73.1092 -21.1977 -97.6722 GPRESSURE: 4125800 15.2053 -80.4634 -70.793 -77.4265 401.732 -11.7508 -36.6971 4.41588 -46.2072 PRESSAVG: 4125800 40.9425 -62.3189 -9.62698 -62.3189 44.2984 -38.6621 -9.62697 -38.662 -39.9959 GPRESSAVG: 4125800 41.0734 -65.5739 -9.1811 -62.4501 44.713 -38.1776 -10.8597 -39.0286 -40.4186 TIMING: 4125800 CPU: 12404, 0.00293378/step Wall: 12404, 0.00293378/step, 0.712419 hours remaining, 208.394531 MB of memory in use. ENERGY: 4125800 754.0896 2075.8872 1946.7970 111.1906 -206550.2817 17995.9328 0.0000 0.0000 34469.9690 -149196.4156 301.0348 -183666.3846 -149094.9332 299.6527 93.6303 123.5767 556270.5369 15.0817 15.1226 PRESSURE: 4126000 -121.905 -175.244 133.475 -175.245 -3.70644 -13.9156 133.475 -13.9159 46.3786 GPRESSURE: 4126000 -112.012 -163.633 73.9231 -250.012 32.2976 8.83026 218.923 -59.2757 104.339 PRESSAVG: 4126000 76.8329 -42.6713 -11.0016 -42.6712 5.20253 29.2839 -11.0016 29.2839 -75.2542 GPRESSAVG: 4126000 75.8106 -40.7845 -11.4224 -43.7492 6.19887 29.9356 -9.582 29.2231 -75.1028 TIMING: 4126000 CPU: 12404.6, 0.0029727/step Wall: 12404.6, 0.0029727/step, 0.721706 hours remaining, 208.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4126000 770.6103 2140.3575 1940.2113 111.7562 -206109.3195 17799.1629 0.0000 0.0000 34162.6281 -149184.5934 298.3507 -183347.2215 -149083.7290 299.6959 -26.4110 8.2081 556771.1802 2.2604 2.3022 PRESSURE: 4126200 -71.2607 -17.2249 14.0798 -17.2231 -48.0553 68.6688 14.0797 68.6694 -150.854 GPRESSURE: 4126200 -113.715 45.3648 63.989 14.6525 -24.9377 24.9425 -36.4793 105.643 -36.5028 PRESSAVG: 4126200 113.781 -12.9051 -4.41991 -12.9051 6.88026 17.7725 -4.42001 17.7724 -49.071 GPRESSAVG: 4126200 113.915 -15.5722 -4.26774 -11.2452 6.32234 17.3909 -5.93601 18.3797 -48.6813 TIMING: 4126200 CPU: 12405.2, 0.00298315/step Wall: 12405.2, 0.00298315/step, 0.724078 hours remaining, 208.394531 MB of memory in use. ENERGY: 4126200 822.3239 2060.7625 1928.5101 112.1375 -206143.4125 17823.0878 0.0000 0.0000 34181.3272 -149215.2634 298.5140 -183396.5905 -149124.7933 299.3747 -90.0566 -58.3850 556658.2314 23.8636 23.8521 PRESSURE: 4126400 -103.793 116.44 -17.0675 116.44 -104.325 -38.4348 -17.0681 -38.4336 -161.308 GPRESSURE: 4126400 -84.047 136.783 -9.93368 30.6963 -59.7425 -34.1875 -31.0657 -31.9446 -137.011 PRESSAVG: 4126400 38.1387 -64.2926 -28.6326 -64.2926 41.5555 20.7423 -28.6326 20.7422 -66.2705 GPRESSAVG: 4126400 37.8227 -62.8381 -25.9731 -66.0129 43.2301 20.6357 -29.1502 20.2619 -67.5488 TIMING: 4126400 CPU: 12405.8, 0.00300694/step Wall: 12405.8, 0.00300694/step, 0.729683 hours remaining, 208.394531 MB of memory in use. ENERGY: 4126400 800.2114 2093.6099 1914.6935 114.9961 -206129.6498 17795.7268 0.0000 0.0000 34196.8139 -149213.5983 298.6493 -183410.4122 -149115.4312 298.6864 -123.1419 -93.6002 558074.9021 4.4746 4.5013 PRESSURE: 4126600 -72.133 -153.856 45.5439 -153.854 32.2201 -84.485 45.5431 -84.4838 45.6355 GPRESSURE: 4126600 7.34284 -169.033 -18.747 -146.166 60.6553 -20.8266 -24.6057 -96.574 26.0382 PRESSAVG: 4126600 44.138 -36.3957 -18.2602 -36.3958 -49.9762 16.1221 -18.2602 16.122 14.719 GPRESSAVG: 4126600 45.455 -36.0102 -19.4958 -34.6543 -51.1674 15.0978 -16.3155 17.8647 14.9732 TIMING: 4126600 CPU: 12406.4, 0.00298959/step Wall: 12406.4, 0.00298959/step, 0.725308 hours remaining, 208.394531 MB of memory in use. ENERGY: 4126600 720.9816 2160.7397 1913.6488 128.3718 -206130.1616 17876.2982 0.0000 0.0000 34066.7347 -149263.3867 297.5133 -183330.1215 -149166.8670 298.3758 1.9075 31.3454 558601.0034 2.9603 3.0870 PRESSURE: 4126800 -9.23187 96.555 -103.407 96.5565 48.7374 -3.03844 -103.407 -3.03966 123.439 GPRESSURE: 4126800 -36.5509 -2.05271 -98.4905 131.33 81.7685 -52.85 -63.7843 -55.5706 201.722 PRESSAVG: 4126800 -34.6339 44.5206 7.93917 44.5205 21.7685 -30.1009 7.93924 -30.1009 -30.401 GPRESSAVG: 4126800 -35.4975 44.4954 6.05142 43.3625 21.9943 -30.5034 7.42515 -31.42 -30.2214 TIMING: 4126800 CPU: 12407, 0.00298477/step Wall: 12407, 0.00298477/step, 0.723974 hours remaining, 208.394531 MB of memory in use. ENERGY: 4126800 747.0662 2101.4910 1930.4945 119.9163 -206408.6682 17863.0331 0.0000 0.0000 34310.4533 -149336.2138 299.6417 -183646.6671 -149232.6753 299.3692 54.3148 82.3133 556956.3551 -14.4222 -14.5749 PRESSURE: 4127000 92.1029 -110.84 -55.0901 -110.839 -185.806 -208.982 -55.0892 -208.981 238.136 GPRESSURE: 4127000 94.3086 -91.5818 -73.3497 -49.7161 -138.271 -150.617 6.81448 -118.421 291.674 PRESSAVG: 4127000 -53.5096 26.1536 37.4477 26.1536 25.7087 16.0477 37.4476 16.0478 52.3422 GPRESSAVG: 4127000 -54.0399 27.4762 39.1055 26.1059 25.6698 15.6272 36.2467 16.9849 52.7647 TIMING: 4127000 CPU: 12407.6, 0.00299831/step Wall: 12407.6, 0.00299831/step, 0.72709 hours remaining, 208.394531 MB of memory in use. ENERGY: 4127000 771.8600 2083.7089 1935.8784 117.7218 -206389.5178 17959.0029 0.0000 0.0000 34162.3199 -149359.0259 298.3480 -183521.3458 -149262.4804 299.0839 48.1442 82.5708 555882.9684 8.1804 8.1315 PRESSURE: 4127200 -14.0533 41.1794 87.685 41.1781 150.071 79.1933 87.6848 79.1949 -12.2989 GPRESSURE: 4127200 40.5771 62.172 3.03948 83.9544 201.217 152.669 116.296 90.2581 -22.3343 PRESSAVG: 4127200 -12.9286 9.18999 -5.78815 9.19003 -16.0253 -10.3466 -5.78809 -10.3466 34.6058 GPRESSAVG: 4127200 -12.0238 9.28795 -7.58141 7.83336 -15.7849 -8.87557 -4.96942 -11.3885 33.786 TIMING: 4127200 CPU: 12408.2, 0.00298269/step Wall: 12408.2, 0.00298269/step, 0.723138 hours remaining, 208.394531 MB of memory in use. ENERGY: 4127200 735.1510 2122.6157 1916.6409 99.0468 -206107.9332 17789.8256 0.0000 0.0000 34104.5504 -149340.1028 297.8435 -183444.6532 -149251.7013 298.6906 41.2396 73.1533 556291.2137 1.8840 1.9924 PRESSURE: 4127400 12.5493 -112.869 1.66724 -112.869 -41.3583 1.13506 1.66741 1.13483 -304.312 GPRESSURE: 4127400 51.2768 -140.505 -59.0061 -106.032 -11.1742 -47.9375 12.9164 5.19844 -275.53 PRESSAVG: 4127400 -38.0097 70.4791 -31.125 70.4789 71.1111 -50.7021 -31.125 -50.7022 10.65 GPRESSAVG: 4127400 -37.9264 68.4837 -31.219 71.4679 71.4349 -51.6685 -30.458 -50.8991 10.0843 TIMING: 4127400 CPU: 12408.8, 0.0030013/step Wall: 12408.8, 0.0030013/step, 0.727482 hours remaining, 208.394531 MB of memory in use. ENERGY: 4127400 738.1216 2059.4356 1933.1767 109.3796 -205899.2491 17657.9540 0.0000 0.0000 34240.8640 -149160.3176 299.0340 -183401.1817 -149061.5193 299.1522 -111.0402 -78.4759 557772.9925 14.5838 14.5309 PRESSURE: 4127600 -40.0788 -61.4313 -98.1958 -61.4325 313.423 74.4149 -98.1956 74.417 257.164 GPRESSURE: 4127600 11.8609 11.7743 -54.8651 -119.417 315.417 27.4593 -90.0419 89.2554 290.614 PRESSAVG: 4127600 -87.3786 -36.2332 16.1261 -36.2333 -3.88294 -0.492283 16.1261 -0.492236 91.1296 GPRESSAVG: 4127600 -86.9942 -36.5824 16.424 -36.0898 -5.44619 0.0852076 16.4553 0.150576 91.9019 TIMING: 4127600 CPU: 12409.4, 0.00300421/step Wall: 12409.4, 0.00300421/step, 0.72802 hours remaining, 208.394531 MB of memory in use. ENERGY: 4127600 744.0249 2133.4141 1928.0349 113.2939 -206171.0986 18010.3506 0.0000 0.0000 34057.9996 -149183.9805 297.4370 -183241.9802 -149093.6372 299.4175 176.8363 205.9640 556451.9861 -0.0440 -0.1795 PRESSURE: 4127800 18.3132 71.465 113.17 71.4654 -300.29 -104.346 113.172 -104.347 -128.937 GPRESSURE: 4127800 10.3315 95.6066 91.6665 122.361 -209.18 -102.682 134.658 -76.8845 -108.354 PRESSAVG: 4127800 52.796 -22.4782 7.52007 -22.4782 36.4744 5.19068 7.51998 5.19067 -108.343 GPRESSAVG: 4127800 52.2109 -20.5347 8.23089 -22.1331 37.1871 4.92471 8.10815 5.18893 -108.585 TIMING: 4127800 CPU: 12410, 0.00298619/step Wall: 12410, 0.00298619/step, 0.723488 hours remaining, 208.394531 MB of memory in use. ENERGY: 4127800 760.6431 2123.8431 1889.5861 108.1465 -205940.2273 17599.2097 0.0000 0.0000 34427.1394 -149031.6595 300.6608 -183458.7988 -148936.5886 299.3271 -136.9711 -102.4008 558061.0099 -6.3575 -6.3958 PRESSURE: 4128000 -157.835 32.4296 -75.5531 32.429 241.905 -14.8328 -75.5532 -14.8328 -28.8172 GPRESSURE: 4128000 -113.549 6.24121 -116.412 68.3409 213.248 -67.8213 -3.90548 -63.2418 51.8538 PRESSAVG: 4128000 -44.6807 -7.99159 37.011 -7.99162 57.4886 14.2944 37.011 14.2944 -13.0612 GPRESSAVG: 4128000 -44.0858 -9.59134 33.9925 -8.83005 56.1427 14.0474 36.5368 14.0349 -12.5693 TIMING: 4128000 CPU: 12410.6, 0.00298506/step Wall: 12410.6, 0.00298506/step, 0.723049 hours remaining, 208.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4128000 785.5413 2123.0446 1940.5185 103.4661 -206427.1426 17972.2972 0.0000 0.0000 34308.5560 -149193.7189 299.6252 -183502.2749 -149097.2578 299.9008 18.4177 50.5178 556796.2156 -0.0844 -0.1708 PRESSURE: 4128200 -9.95336 120.854 123.301 120.855 -9.19705 14.2991 123.301 14.299 -140.295 GPRESSURE: 4128200 -4.67092 154.346 91.8166 80.4316 15.7424 -52.5733 108.888 32.0263 -80.8924 PRESSAVG: 4128200 -6.71706 -58.2507 -4.37783 -58.2508 46.4885 3.24311 -4.37788 3.24316 -53.5938 GPRESSAVG: 4128200 -5.59971 -57.6291 -0.836563 -58.1604 46.3291 3.52133 -7.43747 3.73224 -54.8674 TIMING: 4128200 CPU: 12411.2, 0.00295756/step Wall: 12411.2, 0.00295756/step, 0.716222 hours remaining, 208.394531 MB of memory in use. ENERGY: 4128200 753.4317 2081.5319 1927.5974 110.9997 -205946.3493 17599.2693 0.0000 0.0000 34251.9405 -149221.5788 299.1307 -183473.5193 -149122.9320 299.1459 -53.1483 -23.2737 557804.3342 -4.6075 -4.7127 LDB: ============= START OF LOAD BALANCING ============== 12414.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12414.7 LDB: =============== DONE WITH MIGRATION ================ 12414.7 LDB: ============= START OF LOAD BALANCING ============== 12415 LDB: Largest compute 4802 load 0.027815 is 23.5% of average load 0.118222 LDB: Average compute 0.001730 is 1.5% of average load 0.118222 LDB: TIME 12415 LOAD: AVG 0.118222 MAX 0.213454 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.27 MB LDB: TIME 12415 LOAD: AVG 0.118222 MAX 0.213454 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.273 MB LDB: TIME 12415 LOAD: AVG 0.118222 MAX 0.213454 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.273 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12415 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12415 PRESSURE: 4128400 47.1016 -48.6168 111.379 -48.6172 -87.0163 31.769 111.378 31.768 -144.726 GPRESSURE: 4128400 62.3899 -59.207 57.565 7.11754 -54.1207 80.7775 139.686 73.0167 -99.5482 PRESSAVG: 4128400 90.8995 23.4337 14.4532 23.4337 -69.6534 34.9046 14.4532 34.9047 -7.36797 GPRESSAVG: 4128400 90.5789 24.4652 13.2268 24.626 -69.545 34.7648 17.4961 35.2706 -6.41176 TIMING: 4128400 CPU: 12411.8, 0.00303542/step Wall: 12411.8, 0.00303542/step, 0.734908 hours remaining, 209.808594 MB of memory in use. ENERGY: 4128400 750.4607 2005.5348 1946.9117 112.6128 -206143.8957 17795.0964 0.0000 0.0000 34252.6949 -149280.5845 299.1373 -183533.2794 -149178.6813 299.8129 -61.5470 -30.4263 558234.9564 4.6260 4.8741 PRESSURE: 4128600 -58.1544 -63.7762 -25.0647 -63.7747 62.9346 -95.1162 -25.0666 -95.1155 -38.1079 GPRESSURE: 4128600 -48.9739 -30.5975 -6.85205 -114.322 109.078 -42.2232 -82.567 -123.889 4.14095 PRESSAVG: 4128600 -4.90862 34.1745 -12.617 34.1745 -28.8523 -84.8623 -12.617 -84.8623 26.9851 GPRESSAVG: 4128600 -4.75735 34.1187 -12.1903 31.9076 -27.5969 -84.1262 -15.0724 -85.4279 26.1797 TIMING: 4128600 CPU: 12412.4, 0.00295505/step Wall: 12412.4, 0.00295505/step, 0.715287 hours remaining, 210.441406 MB of memory in use. ENERGY: 4128600 739.2282 2059.6491 1927.0266 105.2352 -206494.0509 18014.6282 0.0000 0.0000 34310.3340 -149337.9495 299.6407 -183648.2835 -149246.7646 299.4360 -11.1092 21.4152 559148.2967 -2.2586 -2.0582 PRESSURE: 4128800 24.7841 4.16689 24.1544 4.16547 -27.3478 23.7762 24.1547 23.7751 173.669 GPRESSURE: 4128800 33.5658 -6.24104 42.1556 0.16321 19.7013 -20.6011 24.8038 -16.9376 211.158 PRESSAVG: 4128800 -24.9293 -11.6378 10.7407 -11.6379 -1.61399 -7.54527 10.7408 -7.54536 1.02144 GPRESSAVG: 4128800 -26.3943 -11.9339 11.7938 -10.6102 -2.2058 -7.5256 11.3189 -9.025 2.72015 TIMING: 4128800 CPU: 12413, 0.00296334/step Wall: 12413, 0.00296334/step, 0.717129 hours remaining, 210.441406 MB of memory in use. ENERGY: 4128800 745.0325 2096.9451 1931.2463 110.7167 -206532.3392 18130.7431 0.0000 0.0000 34291.4938 -149226.1616 299.4761 -183517.6554 -149129.6334 299.7617 57.0351 88.1417 558941.3781 -8.5073 -8.6266 PRESSURE: 4129000 -69.9198 87.847 83.4515 87.8479 -196.92 87.7215 83.4529 87.7226 -406.436 GPRESSURE: 4129000 -106.14 51.7469 127.579 32.0072 -113.106 58.4372 157.065 112.892 -358.95 PRESSAVG: 4129000 62.2194 -27.2195 33.7573 -27.2195 21.1591 -20.2841 33.7574 -20.2841 -101.026 GPRESSAVG: 4129000 62.2231 -27.1924 32.017 -26.5901 21.2753 -24.2942 32.4365 -17.2428 -101.176 TIMING: 4129000 CPU: 12413.6, 0.00297968/step Wall: 12413.6, 0.00297968/step, 0.720916 hours remaining, 210.441406 MB of memory in use. ENERGY: 4129000 746.2714 2133.2209 1937.6058 109.3063 -206365.6401 17678.1465 0.0000 0.0000 34349.0987 -149411.9904 299.9792 -183761.0891 -149312.0687 298.8773 -224.4253 -192.7319 560445.8877 -5.8825 -5.8926 PRESSURE: 4129200 -179.526 88.2626 -47.02 88.2622 -183.921 16.2589 -47.0198 16.2583 63.4318 GPRESSURE: 4129200 -158.063 164.723 -70.2609 81.1039 -120.284 -20.5552 -96.8437 95.9062 72.8685 PRESSAVG: 4129200 12.8344 -22.9546 32.3636 -22.9547 -16.8011 29.4345 32.3636 29.4345 -20.6499 GPRESSAVG: 4129200 12.839 -21.647 33.3321 -22.921 -17.3263 32.7341 32.2348 26.573 -20.3157 TIMING: 4129200 CPU: 12414.2, 0.00296535/step Wall: 12414.2, 0.00296535/step, 0.717285 hours remaining, 210.441406 MB of memory in use. ENERGY: 4129200 751.3853 2117.9021 1942.0661 132.3094 -206129.9376 17803.2268 0.0000 0.0000 33840.0489 -149542.9991 295.5336 -183383.0480 -149447.5910 298.4842 -100.0048 -68.4930 559375.7741 -8.2055 -8.2677 PRESSURE: 4129400 -45.764 31.5469 -22.7292 31.5464 116.199 242.344 -22.7287 242.343 326.396 GPRESSURE: 4129400 -17.7324 34.192 -30.693 -31.057 178.129 228.352 -49.4383 209.44 325.358 PRESSAVG: 4129400 -24.8677 0.441624 -19.9497 0.441731 -3.17904 36.3022 -19.9497 36.3023 39.1979 GPRESSAVG: 4129400 -24.4922 -0.763727 -19.1129 0.938841 -2.96684 35.3433 -20.0584 38.1167 39.2325 TIMING: 4129400 CPU: 12414.8, 0.00295188/step Wall: 12414.8, 0.00295188/step, 0.713864 hours remaining, 210.441406 MB of memory in use. ENERGY: 4129400 743.4408 2124.0141 1925.0254 113.3878 -206895.1621 18269.6328 0.0000 0.0000 34378.4858 -149341.1755 300.2359 -183719.6613 -149248.7204 298.4450 132.2771 161.9181 558019.3004 3.7170 3.9245 PRESSURE: 4129600 88.3655 -8.05064 44.9591 -8.04957 158 86.2053 44.9591 86.2051 296.836 GPRESSURE: 4129600 125.877 13.6757 102.828 27.9945 199.986 95.1408 -17.1208 82.1048 311.55 PRESSAVG: 4129600 -45.9798 44.1209 -29.9553 44.1209 -28.7048 13.4573 -29.9552 13.4574 53.4406 GPRESSAVG: 4129600 -46.3949 42.2243 -31.579 44.2535 -27.3669 13.2461 -29.4699 12.568 52.5997 TIMING: 4129600 CPU: 12415.4, 0.00297736/step Wall: 12415.4, 0.00297736/step, 0.71986 hours remaining, 210.441406 MB of memory in use. ENERGY: 4129600 735.0632 2063.2424 1958.0375 112.1355 -206758.8520 18160.1423 0.0000 0.0000 34418.2881 -149311.9430 300.5835 -183730.2311 -149212.5081 299.6959 181.0672 212.4707 556312.1453 -7.0813 -7.0540 PRESSURE: 4129800 4.79562 116.622 -118.92 116.622 203.899 109.071 -118.92 109.07 -80.6765 GPRESSURE: 4129800 30.5442 149.632 -104.903 63.9005 231.796 148.062 -76.1112 20.658 -43.6565 PRESSAVG: 4129800 9.31742 34.5872 -13.684 34.5872 37.7804 51.6034 -13.6839 51.6034 12.9047 GPRESSAVG: 4129800 9.39702 37.2379 -13.1236 33.8668 36.9514 51.8889 -13.7236 52.8118 13.7427 TIMING: 4129800 CPU: 12416, 0.00298385/step Wall: 12416, 0.00298385/step, 0.721263 hours remaining, 210.441406 MB of memory in use. ENERGY: 4129800 739.5783 2093.5373 1932.0558 120.4862 -206226.6044 17775.0044 0.0000 0.0000 34145.7595 -149420.1829 298.2034 -183565.9424 -149319.8120 298.4716 42.6728 72.8947 556463.3242 20.0008 20.0304 PRESSURE: 4130000 -81.4634 -64.2765 120.355 -64.277 -176.909 -29.0606 120.355 -29.0603 29.0294 GPRESSURE: 4130000 -94.9624 -63.3561 135.633 -28.685 -77.9844 134.297 138.327 -112.264 35.6295 PRESSAVG: 4130000 10.3849 21.252 -2.54094 21.252 29.7944 -25.145 -2.54094 -25.145 -17.0278 GPRESSAVG: 4130000 11.7126 21.9584 -2.35092 18.9244 29.2773 -25.6504 -1.97142 -26.4283 -17.765 TIMING: 4130000 CPU: 12416.6, 0.00297466/step Wall: 12416.6, 0.00297466/step, 0.718877 hours remaining, 210.441406 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: 4130000 802.5038 2048.9731 1917.5314 110.2207 -206280.5458 17876.4912 0.0000 0.0000 34005.5914 -149519.2341 296.9793 -183524.8255 -149413.6890 299.1470 -76.4478 -45.7724 556542.5101 7.7172 7.7416 PRESSURE: 4130200 3.08402 33.0116 -110.227 33.0112 -2.53961 22.2972 -110.228 22.2975 31.8789 GPRESSURE: 4130200 26.3135 -15.049 -120.427 102.308 -3.53037 120.549 -104.076 -13.383 102.347 PRESSAVG: 4130200 26.0393 -13.7828 -11.2983 -13.7828 -20.919 34.2808 -11.2982 34.2807 -0.589121 GPRESSAVG: 4130200 24.889 -15.449 -10.5899 -10.3371 -20.4666 31.7921 -9.9005 39.4069 -0.277953 TIMING: 4130200 CPU: 12417.2, 0.00296442/step Wall: 12417.2, 0.00296442/step, 0.716236 hours remaining, 210.441406 MB of memory in use. ENERGY: 4130200 732.5191 2071.6654 1951.7515 119.1776 -206292.6168 17838.1392 0.0000 0.0000 34108.1419 -149471.2222 297.8749 -183579.3640 -149377.6635 298.3402 10.8078 41.7100 557428.9029 1.5104 1.3815 PRESSURE: 4130400 -211.178 -113.398 62.8252 -113.397 -15.339 -23.0337 62.8272 -23.0347 -233.629 GPRESSURE: 4130400 -192.241 -132.375 102.006 -94.3069 18.1524 -80.0155 57.1138 2.48527 -199.468 PRESSAVG: 4130400 12.3334 -56.0324 20.2618 -56.0324 8.66766 -13.1053 20.2619 -13.1053 5.56096 GPRESSAVG: 4130400 12.5837 -54.7067 17.5326 -59.3728 7.48283 -9.30727 18.59 -17.1363 6.25532 TIMING: 4130400 CPU: 12417.8, 0.00294966/step Wall: 12417.8, 0.00294966/step, 0.712507 hours remaining, 210.441406 MB of memory in use. ENERGY: 4130400 769.2149 2065.4733 1919.8111 116.6913 -206109.4613 17534.9235 0.0000 0.0000 34240.7636 -149462.5836 299.0331 -183703.3472 -149361.4998 299.2269 -153.3819 -124.5188 555617.8996 8.8540 8.7739 PRESSURE: 4130600 31.0174 -57.1305 -32.1733 -57.1299 14.4496 -102.476 -32.1738 -102.477 57.2034 GPRESSURE: 4130600 32.0828 -100.375 -114.634 -19.4412 65.5652 -171.349 22.6648 -48.1474 114.287 PRESSAVG: 4130600 19.7472 42.1356 -3.73116 42.1356 17.4452 -39.2407 -3.73118 -39.2406 -24.363 GPRESSAVG: 4130600 19.7162 42.8438 -3.5458 42.3647 18.0866 -41.0211 -1.44673 -37.7504 -25.4944 TIMING: 4130600 CPU: 12418.4, 0.00300097/step Wall: 12418.4, 0.00300097/step, 0.724735 hours remaining, 210.441406 MB of memory in use. ENERGY: 4130600 748.3897 2018.3728 1911.9291 112.9914 -206395.9652 17889.9897 0.0000 0.0000 34303.1681 -149411.1245 299.5781 -183714.2925 -149313.0297 299.2109 34.2235 70.6451 558345.2492 4.2764 4.1028 PRESSURE: 4130800 94.5906 28.2039 119.058 28.2038 88.7988 287.087 119.059 287.088 -115.541 GPRESSURE: 4130800 135.246 -17.9056 96.2091 154.927 121.368 267.121 216.534 253.832 -83.6184 PRESSAVG: 4130800 -14.1077 -0.69842 -7.72941 -0.698496 67.6765 -7.06875 -7.72953 -7.06874 -56.326 GPRESSAVG: 4130800 -14.1608 -0.760703 -8.15719 0.704176 67.976 -5.89942 -8.61679 -9.06017 -56.4138 TIMING: 4130800 CPU: 12419, 0.00300048/step Wall: 12419, 0.00300048/step, 0.72445 hours remaining, 210.441406 MB of memory in use. ENERGY: 4130800 738.1372 2069.2125 1928.5960 117.2792 -206302.7763 17889.7135 0.0000 0.0000 34103.4509 -149456.3870 297.8339 -183559.8379 -149363.7044 298.7349 22.6163 57.6651 558532.1642 -0.9191 -0.8662 PRESSURE: 4131000 -227.585 160.364 -119.666 160.363 -125.651 -15.2573 -119.667 -15.2577 196.006 GPRESSURE: 4131000 -210.884 182.084 -70.0073 137.556 -65.2953 -27.8292 -194.884 23.125 216.447 PRESSAVG: 4131000 63.3924 18.746 -41.9208 18.7461 -45.3154 -29.6183 -41.9208 -29.6182 -4.46467 GPRESSAVG: 4131000 63.5231 17.6294 -39.1591 19.0722 -46.4493 -31.7898 -42.1942 -28.8607 -3.45835 TIMING: 4131000 CPU: 12419.6, 0.00302678/step Wall: 12419.6, 0.00302678/step, 0.730631 hours remaining, 210.441406 MB of memory in use. ENERGY: 4131000 727.4037 2062.5515 1947.0618 117.0954 -206511.8796 17792.1768 0.0000 0.0000 34489.3175 -149376.2730 301.2038 -183865.5905 -149283.3509 299.2553 -52.4098 -19.9107 556749.8102 4.5374 4.5385 PRESSURE: 4131200 82.2951 58.9125 185.353 58.912 -88.8894 100.261 185.353 100.261 12.0164 GPRESSURE: 4131200 167.179 48.2268 227.272 73.5904 -51.1163 84.2051 123.516 108.183 -14.7109 PRESSAVG: 4131200 13.2477 35.2241 58.1337 35.2241 -25.0459 -5.58297 58.1337 -5.58291 24.8764 GPRESSAVG: 4131200 12.374 33.9021 58.3252 36.5116 -23.9962 -3.30755 56.9738 -5.94578 24.6553 TIMING: 4131200 CPU: 12420.2, 0.00298362/step Wall: 12420.2, 0.00298362/step, 0.720048 hours remaining, 210.441406 MB of memory in use. ENERGY: 4131200 762.8392 2138.5522 1920.0875 101.2409 -206240.3400 17752.5176 0.0000 0.0000 34169.8958 -149395.2067 298.4142 -183565.1025 -149298.3703 298.9589 1.8074 33.7839 556415.9457 4.3594 4.3443 PRESSURE: 4131400 -15.1597 43.379 -24.8997 43.3795 -142.617 148.668 -24.9006 148.667 7.08639 GPRESSURE: 4131400 -18.3458 11.7174 -80.4831 -5.22334 -154.325 163.573 8.44321 147.746 122.071 PRESSAVG: 4131400 11.3206 -2.54121 -5.80769 -2.54132 -49.5034 -10.0354 -5.80763 -10.0354 28.9637 GPRESSAVG: 4131400 12.2032 -2.33382 -7.7455 -2.55362 -49.3133 -10.3879 -5.08839 -7.33383 28.263 TIMING: 4131400 CPU: 12420.7, 0.00294663/step Wall: 12420.7, 0.00294663/step, 0.710957 hours remaining, 210.488281 MB of memory in use. ENERGY: 4131400 695.4744 2120.7684 1942.3718 108.4145 -205857.5661 17558.0652 0.0000 0.0000 34140.7828 -149291.6890 298.1599 -183432.4718 -149197.2430 298.8445 -50.2300 -16.8665 556830.9972 -3.0730 -2.9490 PRESSURE: 4131600 -240.854 -25.8056 -13.1209 -25.8059 114.633 -1.22459 -13.1209 -1.22426 -84.1936 GPRESSURE: 4131600 -177.511 1.63873 -6.46584 -94.5253 136.579 -34.8578 -67.8271 -14.2911 -64.6277 PRESSAVG: 4131600 -38.934 18.7075 -81.8916 18.7074 5.2495 -3.34842 -81.8916 -3.34834 30.4669 GPRESSAVG: 4131600 -39.6079 18.359 -81.641 16.6709 6.57743 -2.50066 -80.7614 -5.64493 29.6177 TIMING: 4131600 CPU: 12421.3, 0.00299633/step Wall: 12421.3, 0.00299633/step, 0.722781 hours remaining, 210.488281 MB of memory in use. ENERGY: 4131600 743.2969 2063.2094 1916.9113 100.4101 -206006.7322 17695.6026 0.0000 0.0000 34313.2859 -149174.0160 299.6665 -183487.3019 -149074.7393 299.4501 -70.1383 -35.1864 558960.0713 -1.0725 -1.1376 PRESSURE: 4131800 -71.812 -53.87 -39.6088 -53.871 -45.1054 28.8014 -39.6098 28.8016 -19.8044 GPRESSURE: 4131800 -15.8556 -24.7776 -18.7193 -39.2945 -34.9236 94.6521 -0.259376 -7.59659 6.81711 PRESSAVG: 4131800 -1.7086 -39.1866 -39.4527 -39.1866 40.4028 7.51904 -39.4526 7.51898 -6.72122 GPRESSAVG: 4131800 -0.997845 -37.5293 -39.9901 -38.2108 40.3605 6.2624 -41.3826 6.51383 -6.72741 TIMING: 4131800 CPU: 12421.9, 0.00297882/step Wall: 12421.9, 0.00297882/step, 0.718392 hours remaining, 210.488281 MB of memory in use. ENERGY: 4131800 770.1387 2075.7835 1905.2334 101.4197 -205850.9610 17546.3319 0.0000 0.0000 34314.5448 -149137.5090 299.6775 -183452.0538 -149046.2220 299.2017 -45.5739 -14.6540 557212.0214 10.6577 10.8784 PRESSURE: 4132000 100.191 24.4651 -77.2899 24.4663 -76.79 -178.652 -77.2895 -178.652 48.2788 GPRESSURE: 4132000 150.275 72.64 -129.971 -29.2288 -10.7315 -148.229 -103.304 -213.603 30.3342 PRESSAVG: 4132000 29.4959 -51.82 -0.365137 -51.8199 38.9094 -9.30011 -0.365055 -9.30017 -38.8147 GPRESSAVG: 4132000 30.063 -52.4448 -0.236643 -52.5066 38.7409 -8.70609 0.157562 -8.08533 -38.8644 TIMING: 4132000 CPU: 12422.5, 0.00295391/step Wall: 12422.5, 0.00295391/step, 0.71222 hours remaining, 210.488281 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: 4132000 742.3104 2134.4310 1938.5317 116.9280 -206104.5452 17725.3702 0.0000 0.0000 34294.6658 -149152.3081 299.5038 -183446.9739 -149051.6885 299.7763 23.8932 56.6258 556630.4582 9.8635 9.9798 PRESSURE: 4132200 52.8205 79.7064 29.7153 79.7082 -88.9013 -233.009 29.7155 -233.011 50.4147 GPRESSURE: 4132200 73.1527 114.497 -22.0897 53.6778 -47.8206 -193.329 10.2197 -279.212 92.2698 PRESSAVG: 4132200 -51.5465 -9.20352 -24.7526 -9.20343 42.5189 -22.188 -24.7526 -22.1879 10.8623 GPRESSAVG: 4132200 -51.8441 -10.0542 -24.7205 -7.97072 42.3461 -22.2088 -25.7756 -22.8717 12.5841 TIMING: 4132200 CPU: 12423.1, 0.00296268/step Wall: 12423.1, 0.00296268/step, 0.714171 hours remaining, 210.488281 MB of memory in use. ENERGY: 4132200 759.6679 2036.4982 1939.0332 100.6351 -206488.0328 17968.3129 0.0000 0.0000 34571.2374 -149112.6481 301.9192 -183683.8855 -149013.6906 300.5606 4.7780 39.2006 557183.0316 0.6116 1.0287 LDB: ============= START OF LOAD BALANCING ============== 12426.6 LDB: ============== END OF LOAD BALANCING =============== 12426.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12426.6 LDB: ============= START OF LOAD BALANCING ============== 12426.9 LDB: Largest compute 4802 load 0.028490 is 24.1% of average load 0.118207 LDB: Average compute 0.001736 is 1.5% of average load 0.118207 LDB: TIME 12426.9 LOAD: AVG 0.118207 MAX 0.210263 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 12426.9 LOAD: AVG 0.118207 MAX 0.210263 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.27 MB LDB: TIME 12426.9 LOAD: AVG 0.118207 MAX 0.210263 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.27 MB LDB: ============== END OF LOAD BALANCING =============== 12426.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12426.9 PRESSURE: 4132400 -39.3046 -137.263 -100.877 -137.263 81.2277 167.97 -100.878 167.971 -55.2841 GPRESSURE: 4132400 -18.4414 -85.6977 -146.005 -76.8221 116.71 219.557 -171.346 211.954 -8.47923 PRESSAVG: 4132400 10.2731 -1.74561 -45.8106 -1.74565 -2.69474 2.90239 -45.8106 2.90239 -9.78911 GPRESSAVG: 4132400 10.3591 -3.35758 -44.8158 -2.77847 -1.83065 2.8709 -44.2802 4.50289 -10.4828 TIMING: 4132400 CPU: 12423.7, 0.00300643/step Wall: 12423.7, 0.00300643/step, 0.72455 hours remaining, 208.429688 MB of memory in use. ENERGY: 4132400 756.8111 2079.5231 1907.8604 112.9750 -206293.6752 17957.0709 0.0000 0.0000 34340.6240 -149138.8107 299.9052 -183479.4347 -149043.3796 299.6599 -4.4537 29.9299 556880.9373 -0.7369 -0.6514 PRESSURE: 4132600 -154.89 137.781 -39.771 137.782 8.11391 -124.521 -39.77 -124.522 -88.4029 GPRESSURE: 4132600 -133.256 72.6519 -38.6455 132.721 61.5524 -79.2573 -3.57604 -75.5659 -61.6105 PRESSAVG: 4132600 -45.3522 1.96039 -28.1537 1.96036 20.4768 17.7527 -28.1537 17.7527 45.4251 GPRESSAVG: 4132600 -45.8308 4.62465 -29.5988 1.77361 20.7912 17.8149 -28.7238 15.313 46.0789 TIMING: 4132600 CPU: 12424.3, 0.00297289/step Wall: 12424.3, 0.00297289/step, 0.716301 hours remaining, 208.429688 MB of memory in use. ENERGY: 4132600 755.3632 2129.3021 1929.0586 114.0545 -206222.6239 17786.1039 0.0000 0.0000 34344.1372 -149164.6043 299.9359 -183508.7416 -149072.1305 299.4658 -78.3931 -44.4379 557120.6024 6.8499 7.0131 PRESSURE: 4132800 17.3033 26.8443 26.577 26.8444 -34.3665 74.3437 26.5764 74.3435 -176.44 GPRESSURE: 4132800 7.94083 9.0049 39.4352 83.1142 10.6608 106.218 -76.9565 75.1455 -104.27 PRESSAVG: 4132800 -65.6223 -23.597 10.1028 -23.5971 95.8988 -11.6117 10.1028 -11.6118 -21.1603 GPRESSAVG: 4132800 -64.5339 -24.8465 9.58 -22.1846 95.2116 -11.0123 9.96291 -11.1812 -20.997 TIMING: 4132800 CPU: 12424.9, 0.0029903/step Wall: 12424.9, 0.0029903/step, 0.72033 hours remaining, 208.429688 MB of memory in use. ENERGY: 4132800 755.2866 2056.3020 1942.9506 105.3255 -206458.1344 17953.8082 0.0000 0.0000 34321.8607 -149322.6008 299.7413 -183644.4615 -149220.1189 299.3125 -64.5009 -28.5560 557772.4648 3.0387 3.2269 PRESSURE: 4133000 251.435 -8.37776 -39.1476 -8.37772 109.215 202 -39.1467 202.001 83.4379 GPRESSURE: 4133000 272.941 4.7641 -143.717 -28.3446 125.185 227.057 97.2166 158.126 141.558 PRESSAVG: 4133000 76.2354 -39.5272 37.0471 -39.5273 13.1204 -21.5341 37.0472 -21.534 -127.943 GPRESSAVG: 4133000 77.2719 -38.1195 39.3926 -41.7093 13.6838 -21.9493 35.4795 -20.6709 -129.168 TIMING: 4133000 CPU: 12425.5, 0.00297045/step Wall: 12425.5, 0.00297045/step, 0.715382 hours remaining, 208.429688 MB of memory in use. ENERGY: 4133000 753.3746 2071.2749 1932.2093 100.8439 -206602.3960 18127.1815 0.0000 0.0000 34352.0704 -149265.4414 300.0052 -183617.5118 -149170.9826 298.8841 148.0292 179.8947 557323.8079 -12.8622 -12.7374 PRESSURE: 4133200 -156.932 51.5694 -86.2807 51.5691 234.283 49.9957 -86.2814 49.9965 134.978 GPRESSURE: 4133200 -139.935 61.1639 -128.187 96.2505 280.101 -60.6202 -0.272158 24.1761 165.515 PRESSAVG: 4133200 -3.67198 -42.8366 -7.90807 -42.8366 -4.62739 30.3272 -7.90813 30.3272 19.9649 GPRESSAVG: 4133200 -5.56299 -43.8275 -8.83836 -41.7751 -4.46474 29.8955 -6.65108 30.2763 21.3395 TIMING: 4133200 CPU: 12426.1, 0.00298195/step Wall: 12426.1, 0.00298195/step, 0.717988 hours remaining, 208.429688 MB of memory in use. ENERGY: 4133200 722.3065 2113.5155 1958.5317 103.6381 -206733.0369 17975.9843 0.0000 0.0000 34385.9257 -149473.1352 300.3008 -183859.0609 -149377.2251 299.1723 70.7762 101.8935 556994.9172 3.8885 3.7706 PRESSURE: 4133400 -85.3961 50.2733 -22.0775 50.2737 -144.307 -104.068 -22.0781 -104.069 -59.6975 GPRESSURE: 4133400 -12.6929 55.8149 -100.636 106.279 -82.0837 -172.785 23.6958 -75.3602 -87.026 PRESSAVG: 4133400 40.0416 11.6708 -22.4148 11.671 -21.9838 26.9974 -22.4148 26.9974 -7.08331 GPRESSAVG: 4133400 41.0602 11.9217 -21.664 12.3255 -22.0299 29.18 -22.5194 25.344 -8.55325 TIMING: 4133400 CPU: 12426.7, 0.00298387/step Wall: 12426.7, 0.00298387/step, 0.718283 hours remaining, 208.429688 MB of memory in use. ENERGY: 4133400 729.6172 2098.2348 1923.2133 118.4327 -206246.7847 17640.5498 0.0000 0.0000 34267.1732 -149469.5636 299.2637 -183736.7369 -149371.5865 298.7902 -96.4670 -60.6008 556940.7769 3.6582 3.4923 PRESSURE: 4133600 -50.0147 -107.636 -40.5309 -107.637 73.3642 141.352 -40.5297 141.351 93.2592 GPRESSURE: 4133600 -25.9979 -185.432 15.4192 -72.205 101.221 40.7199 -25.9441 183.73 145.711 PRESSAVG: 4133600 -1.56092 -25.9291 -4.22751 -25.929 10.0841 -55.5288 -4.22744 -55.5289 -0.0939529 GPRESSAVG: 4133600 -1.94411 -24.2441 -4.03241 -25.8583 10.7177 -57.9422 -5.64303 -53.4571 -0.324467 TIMING: 4133600 CPU: 12427.3, 0.00298232/step Wall: 12427.3, 0.00298232/step, 0.717744 hours remaining, 208.429688 MB of memory in use. ENERGY: 4133600 753.5089 2108.4669 1953.3276 114.2651 -206056.6255 17832.9320 0.0000 0.0000 33982.1738 -149311.9513 296.7748 -183294.1250 -149221.3338 299.1352 38.8696 73.6447 557131.1447 2.8098 2.8164 PRESSURE: 4133800 -203.294 58.9368 52.8212 58.9362 185.855 87.4565 52.8208 87.455 61.2704 GPRESSURE: 4133800 -85.2442 39.7299 88.3063 79.3177 133.466 120.613 76.0329 29.99 83.9302 PRESSAVG: 4133800 -47.7731 6.04549 -33.8636 6.04545 -21.9705 -5.77872 -33.8635 -5.77869 50.3786 GPRESSAVG: 4133800 -46.4654 4.62055 -34.4073 6.16027 -23.6168 -5.46704 -31.8157 -6.05958 50.5284 TIMING: 4133800 CPU: 12427.9, 0.00298429/step Wall: 12427.9, 0.00298429/step, 0.718053 hours remaining, 208.429688 MB of memory in use. ENERGY: 4133800 759.4569 2114.5874 1934.5867 116.6544 -206107.1554 17837.4171 0.0000 0.0000 34201.4509 -149143.0019 298.6898 -183344.4528 -149050.9622 299.0275 14.6106 44.0508 557810.0088 -6.4550 -6.5179 PRESSURE: 4134000 -232.16 79.5227 -127.108 79.5229 3.54921 -140.223 -127.108 -140.223 5.94458 GPRESSURE: 4134000 -209.589 36.333 -112.38 108.04 31.935 -171.653 -89.6656 -129.126 55.9637 PRESSAVG: 4134000 -31.2975 28.281 -23.0935 28.281 7.65795 -0.956022 -23.0935 -0.956078 0.507089 GPRESSAVG: 4134000 -33.0936 27.8083 -22.2011 27.9937 8.09242 0.636097 -23.8465 -1.79085 1.51414 TIMING: 4134000 CPU: 12428.5, 0.00298066/step Wall: 12428.5, 0.00298066/step, 0.717014 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: 4134000 746.0732 2092.3003 1926.0197 105.3599 -206176.1774 17742.5222 0.0000 0.0000 34332.0998 -149231.8025 299.8308 -183563.9023 -149137.6805 299.3553 -74.2220 -40.5636 558568.6592 -7.7108 -7.8290 PRESSURE: 4134200 -164.242 -146.257 107.398 -146.256 -391.21 -203.545 107.398 -203.545 -68.5005 GPRESSURE: 4134200 -86.3308 -229.932 118.849 -62.1946 -364.474 -245.986 103.444 -246.627 -71.9258 PRESSAVG: 4134200 -22.7461 -28.2788 -5.41805 -28.2788 6.18397 -47.7084 -5.41796 -47.7084 -10.9642 GPRESSAVG: 4134200 -21.7356 -28.691 -5.82134 -27.5415 6.7241 -49.5536 -7.29796 -47.4388 -11.6486 TIMING: 4134200 CPU: 12429.1, 0.0029767/step Wall: 12429.1, 0.0029767/step, 0.715897 hours remaining, 208.429688 MB of memory in use. ENERGY: 4134200 775.1663 2073.5174 1954.5348 117.7167 -206234.5102 17694.7703 0.0000 0.0000 34357.7229 -149261.0818 300.0545 -183618.8047 -149167.4880 299.0374 -207.9840 -174.2435 558786.9494 -9.1754 -8.8867 PRESSURE: 4134400 -47.0531 -73.6016 105.561 -73.602 92.7404 -142.821 105.562 -142.82 36.6327 GPRESSURE: 4134400 -16.2102 1.76458 58.8491 -24.7714 68.1011 -63.0961 97.2865 -188.586 126.332 PRESSAVG: 4134400 -20.3208 -11.6296 -10.7277 -11.6295 -18.8233 -64.8137 -10.7276 -64.8137 17.9108 GPRESSAVG: 4134400 -20.2487 -11.5502 -11.6141 -12.9626 -18.7251 -64.7087 -8.85717 -62.7503 18.0334 TIMING: 4134400 CPU: 12429.7, 0.00295789/step Wall: 12429.7, 0.00295789/step, 0.711209 hours remaining, 208.429688 MB of memory in use. ENERGY: 4134400 765.1675 2082.5922 1939.1333 98.1310 -206080.2311 17720.8812 0.0000 0.0000 34324.8455 -149149.4803 299.7674 -183474.3258 -149053.2376 299.6680 27.4400 59.4076 557114.8309 -7.0778 -6.9801 PRESSURE: 4134600 102.597 -96.2093 17.2561 -96.2096 72.6254 -102.001 17.2546 -102.003 -17.5376 GPRESSURE: 4134600 116.564 -17.7038 63.5227 -177.096 119.525 -0.430809 -10.9337 -109.982 21.1252 PRESSAVG: 4134600 57.2697 17.3355 -26.1301 17.3356 -26.2283 12.499 -26.1302 12.4991 59.6054 GPRESSAVG: 4134600 57.2982 17.8122 -25.459 20.628 -26.5958 14.99 -26.6865 11.9227 59.4202 TIMING: 4134600 CPU: 12430.3, 0.00297385/step Wall: 12430.3, 0.00297385/step, 0.714881 hours remaining, 208.429688 MB of memory in use. ENERGY: 4134600 774.6430 2036.3298 1939.8385 114.2131 -206192.5692 17922.8205 0.0000 0.0000 34295.2609 -149109.4633 299.5090 -183404.7243 -149009.7274 299.3209 52.5618 85.7381 558104.8832 30.2156 30.0409 PRESSURE: 4134800 -176.965 139.736 -62.6633 139.738 -49.8582 4.1597 -62.6641 4.15734 54.7904 GPRESSURE: 4134800 -164.657 107.459 -148.843 94.5888 5.09122 -29.9618 3.23444 77.2559 78.6489 PRESSAVG: 4134800 37.3569 -22.6911 -49.352 -22.6911 7.72305 -8.70751 -49.352 -8.70757 -48.718 GPRESSAVG: 4134800 35.9356 -22.4484 -49.38 -26.0194 7.54697 -10.7252 -50.0338 -9.16928 -47.2484 TIMING: 4134800 CPU: 12430.9, 0.00298636/step Wall: 12430.9, 0.00298636/step, 0.717723 hours remaining, 208.429688 MB of memory in use. ENERGY: 4134800 768.5680 2116.5748 1913.4282 111.8075 -206387.0622 17941.5843 0.0000 0.0000 34439.5280 -149095.5715 300.7690 -183535.0995 -148994.8556 299.7830 -57.3442 -26.9724 558321.4885 -1.2127 -1.2553 PRESSURE: 4135000 -31.3897 61.4124 -82.3171 61.4135 260.67 173.468 -82.3168 173.468 -74.0498 GPRESSURE: 4135000 49.1629 6.74506 43.3653 73.1213 269.845 124.676 -88.2038 175.626 -62.6937 PRESSAVG: 4135000 -9.85136 -70.999 2.03175 -70.999 24.9444 100.592 2.03167 100.592 -14.0644 GPRESSAVG: 4135000 -8.50101 -68.1764 0.782228 -72.4307 25.9707 100.837 4.56075 101.531 -16.4425 TIMING: 4135000 CPU: 12431.5, 0.00296133/step Wall: 12431.5, 0.00296133/step, 0.711542 hours remaining, 208.429688 MB of memory in use. ENERGY: 4135000 707.8093 2160.3920 1970.4027 126.4558 -206112.7492 17937.9766 0.0000 0.0000 34112.2447 -149097.4681 297.9107 -183209.7127 -149004.3155 299.9986 51.7436 85.4379 557950.6484 0.3429 0.3424 PRESSURE: 4135200 126.822 105.239 -77.6676 105.238 -325.837 -44.9585 -77.6668 -44.9588 32.7558 GPRESSURE: 4135200 166.969 77.2015 -0.91485 51.4307 -286.607 -84.8957 -122.005 6.2799 45.1824 PRESSAVG: 4135200 -2.79171 -23.9296 20.2008 -23.9296 21.5793 61.5869 20.2007 61.5869 -34.49 GPRESSAVG: 4135200 -2.3165 -27.8756 18.5589 -22.2972 20.4879 61.6618 18.1529 62.028 -32.9345 TIMING: 4135200 CPU: 12432.1, 0.00295414/step Wall: 12432.1, 0.00295414/step, 0.70965 hours remaining, 208.429688 MB of memory in use. ENERGY: 4135200 760.9571 2110.2880 1924.2803 112.6384 -205862.4103 17584.3318 0.0000 0.0000 34384.9118 -148985.0031 300.2920 -183369.9148 -148894.3823 299.3145 -55.4199 -24.8187 558104.9399 -5.2341 -4.9210 PRESSURE: 4135400 -312.406 12.2976 78.4091 12.2965 159.639 -55.7985 78.4094 -55.7996 172.01 GPRESSURE: 4135400 -255.068 32.4301 94.4469 -5.30323 183.827 -30.4695 101.876 -49.4553 178.433 PRESSAVG: 4135400 -27.0457 21.9884 15.2214 21.9885 -25.3395 32.2073 15.2213 32.2072 61.86 GPRESSAVG: 4135400 -26.9063 23.7328 17.355 21.3986 -24.5249 32.8974 15.2884 30.262 60.8835 TIMING: 4135400 CPU: 12432.6, 0.00297518/step Wall: 12432.6, 0.00297518/step, 0.71454 hours remaining, 208.429688 MB of memory in use. ENERGY: 4135400 749.5374 2163.5171 1946.1251 110.2137 -205951.5193 17830.3380 0.0000 0.0000 34289.0586 -148862.7294 299.4549 -183151.7880 -148764.5653 299.9168 6.4144 35.7308 558430.9028 3.1583 3.1507 PRESSURE: 4135600 -185.016 -141.889 203.693 -141.889 -171.897 -79.0075 203.692 -79.0078 -135.026 GPRESSURE: 4135600 -103.299 -97.0849 190.45 -164.101 -138.02 -122.852 159.209 -61.7535 -153.737 PRESSAVG: 4135600 -50.102 18.6707 -24.9151 18.6705 -9.29841 9.53022 -24.9151 9.53024 45.0088 GPRESSAVG: 4135600 -50.0398 19.7571 -25.2598 19.4355 -8.99179 9.52251 -26.1382 9.52671 45.2336 TIMING: 4135600 CPU: 12433.2, 0.00295772/step Wall: 12433.2, 0.00295772/step, 0.71018 hours remaining, 208.429688 MB of memory in use. ENERGY: 4135600 776.1984 2128.8197 1956.5141 108.8496 -205807.4757 17654.3906 0.0000 0.0000 34402.3055 -148780.3977 300.4439 -183182.7032 -148684.0860 300.6214 -163.9798 -131.6852 557896.5076 -4.7972 -4.5993 PRESSURE: 4135800 100.08 71.9867 -68.735 71.987 -100.482 -182.738 -68.7333 -182.739 -149.751 GPRESSURE: 4135800 83.6771 -63.3815 -75.7683 158.591 -66.2948 -169.311 -6.05527 -197.018 -70.2823 PRESSAVG: 4135800 37.6165 10.4767 -27.25 10.4767 -5.47858 -35.9346 -27.25 -35.9346 -14.6891 GPRESSAVG: 4135800 37.0409 7.55024 -26.0615 12.515 -5.7677 -38.4439 -26.4364 -34.7535 -14.412 TIMING: 4135800 CPU: 12433.8, 0.00297659/step Wall: 12433.8, 0.00297659/step, 0.714547 hours remaining, 208.429688 MB of memory in use. ENERGY: 4135800 763.0923 2092.9202 1962.7761 116.6205 -205905.4638 17793.3878 0.0000 0.0000 34428.6435 -148748.0236 300.6739 -183176.6670 -148651.0641 301.4096 -50.0509 -17.6333 557731.8060 5.8163 5.6204 PRESSURE: 4136000 -160.464 34.5607 45.3306 34.5607 -94.3786 -55.1872 45.3311 -55.1884 -6.51494 GPRESSURE: 4136000 -143.321 38.4898 60.2922 53.7467 -33.3114 -55.5092 71.2922 -10.3481 15.18 PRESSAVG: 4136000 -7.06538 51.6901 15.177 51.6902 -49.9102 -10.3076 15.177 -10.3074 66.0448 GPRESSAVG: 4136000 -8.6842 53.8975 15.768 50.3178 -48.8349 -6.3639 15.9358 -12.2567 66.6229 TIMING: 4136000 CPU: 12434.4, 0.00295173/step Wall: 12434.4, 0.00295173/step, 0.708415 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: 4136000 745.4591 2122.8355 1921.2097 119.5304 -205643.8675 17590.5501 0.0000 0.0000 34522.8241 -148621.4587 301.4964 -183144.2827 -148528.4371 300.9707 -87.1191 -53.8173 559195.3268 3.0231 3.0346 PRESSURE: 4136200 -153.893 61.6671 -12.344 61.666 47.3838 58.7276 -12.3439 58.7263 -145.471 GPRESSURE: 4136200 -137.653 25.4458 -17.4758 4.21251 57.9917 0.878395 33.0178 112.413 -85.8084 PRESSAVG: 4136200 -4.65465 21.5574 7.53559 21.5575 -72.9735 -22.3741 7.53551 -22.3741 59.9627 GPRESSAVG: 4136200 -4.50279 21.3885 6.36436 21.1037 -73.2391 -24.2514 5.82867 -21.9051 59.9676 TIMING: 4136200 CPU: 12435, 0.00297687/step Wall: 12435, 0.00297687/step, 0.714282 hours remaining, 208.429688 MB of memory in use. ENERGY: 4136200 714.3684 2083.8076 1967.5082 109.1984 -205710.7530 17569.2133 0.0000 0.0000 34540.9686 -148725.6885 301.6549 -183266.6571 -148615.0221 301.1868 -83.9935 -55.1567 558602.1702 -5.8885 -5.9248 LDB: ============= START OF LOAD BALANCING ============== 12438.5 LDB: ============== END OF LOAD BALANCING =============== 12438.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12438.5 LDB: ============= START OF LOAD BALANCING ============== 12438.8 LDB: Largest compute 4802 load 0.028802 is 24.4% of average load 0.118242 LDB: Average compute 0.001733 is 1.5% of average load 0.118242 LDB: TIME 12438.8 LOAD: AVG 0.118242 MAX 0.208532 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.703 MB LDB: TIME 12438.8 LOAD: AVG 0.118242 MAX 0.208532 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.906 MB LDB: TIME 12438.8 LOAD: AVG 0.118242 MAX 0.208532 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.906 MB LDB: ============== END OF LOAD BALANCING =============== 12438.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12438.8 PRESSURE: 4136400 -48.7547 152.618 -12.1664 152.617 -58.5627 -34.5689 -12.1663 -34.5706 -65.0282 GPRESSURE: 4136400 32.1266 106.566 37.8112 165.281 -71.85 -19.6694 -82.4467 -102.593 -37.9262 PRESSAVG: 4136400 1.20839 -2.07541 -7.32931 -2.07551 -15.7749 -44.3761 -7.32934 -44.3761 42.2275 GPRESSAVG: 4136400 2.11771 -1.54962 -8.44621 -1.29346 -15.8005 -44.7498 -6.74552 -43.9103 40.5559 TIMING: 4136400 CPU: 12435.6, 0.00300916/step Wall: 12435.6, 0.00300916/step, 0.721865 hours remaining, 208.687500 MB of memory in use. ENERGY: 4136400 742.4043 2163.5258 1923.4962 101.5643 -205712.3949 17593.2576 0.0000 0.0000 34431.5494 -148756.5974 300.6993 -183188.1467 -148657.0581 300.5228 -57.4485 -25.8832 559442.6449 9.2203 8.9577 PRESSURE: 4136600 -68.3487 198.983 -37.0394 198.983 -164.299 -53.2678 -37.0385 -53.2687 -33.4154 GPRESSURE: 4136600 -67.4694 241.929 -58.7013 150.769 -145.956 -34.3042 49.054 36.828 38.3243 PRESSAVG: 4136600 7.31381 77.4777 -3.61972 77.4778 -30.7771 37.9747 -3.61969 37.9747 16.5149 GPRESSAVG: 4136600 7.07969 76.4371 -3.18199 75.9995 -31.3467 39.1213 -4.06236 38.8282 16.9892 TIMING: 4136600 CPU: 12436.2, 0.002987/step Wall: 12436.2, 0.00298701/step, 0.716383 hours remaining, 208.687500 MB of memory in use. ENERGY: 4136600 761.3383 2129.7048 1928.6651 135.1994 -205889.7156 17644.8780 0.0000 0.0000 34262.5669 -149027.3631 299.2235 -183289.9300 -148933.9428 301.2432 -88.6878 -58.3670 558574.1738 -2.3161 -2.4260 PRESSURE: 4136800 62.3517 -79.4223 28.1479 -79.4222 -153.974 7.11743 28.1476 7.11747 -154.322 GPRESSURE: 4136800 78.2686 -129.907 29.2864 -45.4098 -104.339 70.9318 10.1331 -4.71217 -118.307 PRESSAVG: 4136800 44.4754 -8.3758 -14.1964 -8.37579 -26.8158 31.3589 -14.1963 31.3589 19.0406 GPRESSAVG: 4136800 43.712 -6.3133 -15.0951 -8.02881 -26.2199 29.4442 -13.1404 31.8394 19.5174 TIMING: 4136800 CPU: 12436.8, 0.00297774/step Wall: 12436.8, 0.00297774/step, 0.713996 hours remaining, 208.687500 MB of memory in use. ENERGY: 4136800 744.0613 2123.7790 1910.6442 111.3802 -206300.0606 17784.7432 0.0000 0.0000 34574.4862 -149050.9665 301.9476 -183625.4527 -148951.5408 299.9557 -81.9815 -48.1259 559047.6880 12.2334 12.3365 PRESSURE: 4137000 -158.29 -45.5616 139.351 -45.5615 -105.112 -227.108 139.353 -227.109 -253.156 GPRESSURE: 4137000 -124.856 -61.5949 94.7888 46.6757 -89.6767 -149.225 183.401 -259.831 -199.372 PRESSAVG: 4137000 -2.9166 47.2596 27.7732 47.2595 -28.8093 26.3083 27.7733 26.3083 33.2628 GPRESSAVG: 4137000 -2.32915 45.993 30.1605 47.8181 -29.5838 28.2689 26.4925 25.2241 33.0082 TIMING: 4137000 CPU: 12437.4, 0.00297999/step Wall: 12437.4, 0.00297999/step, 0.714371 hours remaining, 208.687500 MB of memory in use. ENERGY: 4137000 783.8961 2100.4881 1970.4805 109.7667 -206124.4459 17731.3699 0.0000 0.0000 34365.2143 -149063.2304 300.1200 -183428.4447 -148960.9838 299.3394 -172.1859 -137.9681 557899.8831 0.5123 0.3651 PRESSURE: 4137200 62.5671 37.4457 -79.872 37.4463 180.28 -26.4854 -79.8728 -26.485 -154.034 GPRESSURE: 4137200 64.4656 32.9731 -98.0701 101.335 221.111 21.7244 -69.6857 -23.9179 -95.9809 PRESSAVG: 4137200 -33.5514 42.2774 7.57096 42.2774 48.6122 29.53 7.57097 29.53 -9.72203 GPRESSAVG: 4137200 -34.2323 42.2341 7.22682 42.0964 48.736 28.3321 8.12474 29.7846 -9.64933 TIMING: 4137200 CPU: 12438, 0.00297443/step Wall: 12438, 0.00297443/step, 0.712871 hours remaining, 208.687500 MB of memory in use. ENERGY: 4137200 769.5290 2131.5474 1924.1866 106.3248 -206184.3614 17868.0575 0.0000 0.0000 34065.2360 -149319.4802 297.5002 -183384.7162 -149215.7421 299.2174 29.6043 63.1987 556879.0475 1.7796 1.6181 PRESSURE: 4137400 -57.2076 -6.83615 10.975 -6.83636 117.032 -43.1204 10.9761 -43.1205 197.81 GPRESSURE: 4137400 11.3726 -94.1103 50.1004 101.611 114.794 -28.443 21.0249 -53.2767 226.241 PRESSAVG: 4137400 -14.4598 32.6476 26.9358 32.6477 48.1919 20.5566 26.9359 20.5566 -35.5501 GPRESSAVG: 4137400 -15.2707 32.4938 26.6318 33.6375 48.5914 19.1123 27.285 22.7328 -34.8911 TIMING: 4137400 CPU: 12438.6, 0.0029683/step Wall: 12438.6, 0.0029683/step, 0.711237 hours remaining, 208.687500 MB of memory in use. ENERGY: 4137400 749.8794 2150.1515 1937.5631 100.7030 -206254.9357 17807.1901 0.0000 0.0000 34161.3872 -149348.0614 298.3399 -183509.4486 -149246.9717 299.5921 85.8781 117.4694 556445.1655 -0.6060 -0.5234 PRESSURE: 4137600 8.0947 11.9293 -11.9114 11.9288 -152.375 60.3926 -11.9117 60.3914 131.779 GPRESSURE: 4137600 65.0337 30.8634 -23.5815 28.4451 -71.0173 47.4123 -19.7786 77.0908 88.8045 PRESSAVG: 4137600 -8.36478 -29.9529 -8.24644 -29.9527 53.811 43.0691 -8.24656 43.0691 -0.36777 GPRESSAVG: 4137600 -8.78094 -29.5719 -8.38737 -30.9605 55.2427 44.5664 -7.36189 42.0119 -1.81346 TIMING: 4137600 CPU: 12439.2, 0.00295708/step Wall: 12439.2, 0.00295708/step, 0.708384 hours remaining, 208.687500 MB of memory in use. ENERGY: 4137600 734.5553 2095.9098 1958.9884 119.1625 -206026.9970 17690.1145 0.0000 0.0000 34157.6870 -149270.5795 298.3076 -183428.2665 -149171.2156 299.6253 -4.1673 27.6069 557046.1944 15.0262 14.8828 PRESSURE: 4137800 -104.614 -47.5225 -55.9713 -47.5227 57.5025 -5.30351 -55.9719 -5.3046 6.72716 GPRESSURE: 4137800 -96.9163 -26.009 -114.891 50.9902 112.181 32.5866 11.5886 -30.6697 43.3359 PRESSAVG: 4137800 -37.6019 -46.8342 0.332365 -46.8341 4.82563 45.9449 0.332393 45.9449 -1.47362 GPRESSAVG: 4137800 -37.0449 -49.0795 0.815251 -46.2256 3.4083 44.7875 -0.115967 45.9509 -0.36804 TIMING: 4137800 CPU: 12439.8, 0.00292206/step Wall: 12439.8, 0.00292206/step, 0.699832 hours remaining, 208.687500 MB of memory in use. ENERGY: 4137800 739.4960 2051.6453 1963.2670 109.4340 -206195.3270 17746.0552 0.0000 0.0000 34374.0640 -149211.3656 300.1972 -183585.4295 -149123.3984 299.2969 -13.4613 19.5337 557331.0739 -11.4166 -11.3349 PRESSURE: 4138000 107.989 -105.189 -99.8568 -105.189 -77.1575 97.652 -99.8566 97.6501 -88.9174 GPRESSURE: 4138000 130.041 -135.171 -101.964 -133.181 -14.1178 96.8235 -110.77 60.9109 -73.4391 PRESSAVG: 4138000 1.48347 -8.80685 51.9977 -8.80692 49.1113 30.0245 51.9977 30.0247 -22.3905 GPRESSAVG: 4138000 0.773419 -7.32622 50.3887 -9.32541 50.4945 31.5084 51.6939 28.3262 -22.7755 TIMING: 4138000 CPU: 12440.4, 0.00298539/step Wall: 12440.4, 0.00298539/step, 0.714834 hours remaining, 208.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4138000 717.6061 2106.7507 1947.7198 106.8455 -205732.8754 17557.0771 0.0000 0.0000 34148.1065 -149148.7696 298.2239 -183296.8761 -149053.1901 300.4057 -19.3619 14.1612 555120.0247 9.4014 9.4975 PRESSURE: 4138200 -11.4082 76.2902 138.267 76.2903 47.3696 -40.0211 138.269 -40.0179 53.2083 GPRESSURE: 4138200 17.4763 156.208 166.085 -41.7319 97.2897 -98.2253 165.162 67.8523 66.3471 PRESSAVG: 4138200 -30.5169 19.2534 63.5142 19.2534 49.4951 -10.5038 63.5142 -10.5037 -55.467 GPRESSAVG: 4138200 -30.8432 20.4434 64.1524 18.6833 49.8141 -9.85894 63.7177 -8.79091 -55.8465 TIMING: 4138200 CPU: 12441, 0.00298395/step Wall: 12441, 0.00298395/step, 0.714325 hours remaining, 208.687500 MB of memory in use. ENERGY: 4138200 733.0593 2147.8904 1930.4155 102.9263 -205794.6585 17566.8394 0.0000 0.0000 34281.3980 -149032.1295 299.3880 -183313.5276 -148937.0176 299.9951 29.7232 60.3710 557370.6669 -12.1630 -12.2919 PRESSURE: 4138400 172.779 140.891 104.14 140.892 -7.03008 -17.411 104.14 -17.4116 91.974 GPRESSURE: 4138400 210.962 102.261 60.8003 132.725 6.14474 30.9992 173.514 -30.6048 136.244 PRESSAVG: 4138400 -18.3565 -18.6732 -6.81853 -18.6732 -47.0992 11.866 -6.8185 11.8659 45.7006 GPRESSAVG: 4138400 -16.4344 -18.3807 -6.99793 -17.3353 -47.979 9.47657 -7.92519 11.7773 44.6977 TIMING: 4138400 CPU: 12441.6, 0.00298004/step Wall: 12441.6, 0.00298004/step, 0.713224 hours remaining, 208.687500 MB of memory in use. ENERGY: 4138400 744.0102 2122.8674 1948.5612 114.9309 -206030.4910 17817.2815 0.0000 0.0000 34206.4033 -149076.4365 298.7330 -183282.8398 -148993.2608 299.4281 85.9077 117.7837 556192.8841 -6.5850 -6.5719 PRESSURE: 4138600 -81.0444 -228.028 -61.531 -228.027 -144.495 40.6978 -61.5323 40.6989 66.6611 GPRESSURE: 4138600 -115.091 -252.769 -80.0657 -156.925 -100.901 35.2136 -59.582 90.8704 151.97 PRESSAVG: 4138600 -16.9874 10.5446 -33.2444 10.5447 -39.3388 11.4737 -33.2443 11.4738 60.0333 GPRESSAVG: 4138600 -18.7331 9.92696 -31.4896 10.8141 -38.8852 15.5701 -32.303 9.96819 61.4986 TIMING: 4138600 CPU: 12442.2, 0.00296551/step Wall: 12442.2, 0.00296551/step, 0.709581 hours remaining, 208.687500 MB of memory in use. ENERGY: 4138600 758.9427 2096.8054 1961.1214 106.4246 -205791.6237 17606.9176 0.0000 0.0000 34302.9332 -148958.4788 299.5760 -183261.4121 -148861.7128 300.0537 -52.9595 -21.3405 557793.5843 1.2357 1.2934 PRESSURE: 4138800 14.0025 83.8762 -36.7279 83.8769 75.1416 90.6232 -36.7277 90.6226 50.3781 GPRESSURE: 4138800 41.3134 -1.36557 -73.3634 50.9097 128.247 99.6854 34.1006 73.865 65.7326 PRESSAVG: 4138800 -54.2666 -3.90209 -29.1546 -3.9021 -24.9477 4.22522 -29.1546 4.2253 76.726 GPRESSAVG: 4138800 -54.3483 -3.52407 -31.9132 -5.56831 -25.2849 2.67709 -28.2837 5.49485 77.8594 TIMING: 4138800 CPU: 12442.8, 0.00298799/step Wall: 12442.8, 0.00298799/step, 0.714793 hours remaining, 208.687500 MB of memory in use. ENERGY: 4138800 717.8469 2077.8859 1946.8934 110.2324 -206245.9869 17891.0119 0.0000 0.0000 34271.0701 -149231.0462 299.2978 -183502.1163 -149140.2732 299.6359 46.5074 78.4309 557782.9668 -0.8294 -0.5912 PRESSURE: 4139000 -74.0019 58.2989 -124.831 58.2999 -234.288 -62.3719 -124.831 -62.3726 -77.0766 GPRESSURE: 4139000 -53.9684 39.8386 -122.589 43.6117 -219.468 -65.6959 -81.546 -99.6972 -15.5924 PRESSAVG: 4139000 -26.054 -14.265 -18.313 -14.265 -49.0879 -46.2863 -18.3131 -46.2863 52.0082 GPRESSAVG: 4139000 -25.1937 -16.2064 -18.3777 -12.5263 -49.6721 -45.9716 -19.0604 -47.3781 51.6971 TIMING: 4139000 CPU: 12443.4, 0.00296947/step Wall: 12443.4, 0.00296947/step, 0.710198 hours remaining, 208.687500 MB of memory in use. ENERGY: 4139000 742.7986 2091.0128 1932.2381 113.8205 -205971.9500 17606.4732 0.0000 0.0000 34345.6455 -149139.9613 299.9491 -183485.6068 -149037.3133 299.0227 -128.4553 -96.3428 558582.9100 -7.7112 -7.7229 PRESSURE: 4139200 -7.06286 32.1658 62.7458 32.1649 67.2041 -226.309 62.7451 -226.308 -167.301 GPRESSURE: 4139200 28.3593 74.9286 22.9061 28.1691 55.5681 -269.428 59.0915 -190.957 -109.199 PRESSAVG: 4139200 -37.8053 20.3766 0.433504 20.3766 -34.8496 19.9178 0.433513 19.9178 17.1018 GPRESSAVG: 4139200 -37.0955 22.6608 2.54857 18.4591 -34.7627 17.9858 -1.63587 21.5592 16.389 TIMING: 4139200 CPU: 12443.9, 0.00294027/step Wall: 12443.9, 0.00294027/step, 0.703051 hours remaining, 208.687500 MB of memory in use. ENERGY: 4139200 752.9568 2087.8226 1943.6920 116.3372 -205423.2064 17490.4648 0.0000 0.0000 34169.7481 -148862.1850 298.4129 -183031.9330 -148770.5026 299.2203 -35.7198 -8.4238 558270.8098 -18.5177 -18.4897 PRESSURE: 4139400 -127.619 -59.3849 -81.8099 -59.3841 341.573 -98.4545 -81.8099 -98.4553 159.142 GPRESSURE: 4139400 -86.6042 -13.8965 5.88214 -138.695 379.773 -40.9345 -112.766 -135.466 180.436 PRESSAVG: 4139400 -10.9622 102.766 -3.13559 102.766 -8.53689 -0.485916 -3.13561 -0.485955 -19.1761 GPRESSAVG: 4139400 -11.7601 101.654 -2.73989 102.337 -7.75419 0.254633 -2.71185 -0.850098 -19.8633 TIMING: 4139400 CPU: 12444.5, 0.00298425/step Wall: 12444.5, 0.00298425/step, 0.713403 hours remaining, 208.687500 MB of memory in use. ENERGY: 4139400 709.4947 2110.5667 1938.7881 109.9841 -205886.4345 17784.5056 0.0000 0.0000 34213.3100 -149019.7852 298.7933 -183233.0952 -148929.7111 299.4129 124.3653 157.8681 558120.6851 -12.8917 -13.1259 PRESSURE: 4139600 234.453 124.04 -80.0346 124.04 -34.8394 -221.147 -80.034 -221.146 -22.4511 GPRESSURE: 4139600 229.406 63.9961 -8.45422 126.437 20.2031 -187.387 -174.55 -179.614 -2.19429 PRESSAVG: 4139600 14.1124 14.283 -21.7665 14.283 13.9642 39.959 -21.7665 39.9589 8.0448 GPRESSAVG: 4139600 14.3915 14.5326 -21.9451 15.6992 13.6048 41.2447 -21.4474 39.1516 7.37898 TIMING: 4139600 CPU: 12445.1, 0.00301513/step Wall: 12445.1, 0.00301513/step, 0.720617 hours remaining, 208.687500 MB of memory in use. ENERGY: 4139600 757.3560 2124.1909 1941.6279 112.1858 -206230.9791 17905.3303 0.0000 0.0000 34375.8078 -149014.4805 300.2125 -183390.2883 -148916.2885 299.2903 59.0540 82.4717 557853.5347 12.0404 11.7918 PRESSURE: 4139800 423.601 -0.0966196 76.1523 -0.0965898 -37.8517 175.005 76.151 175.006 43.1883 GPRESSURE: 4139800 481.047 -17.0528 45.8107 -62.0247 -29.1129 154.787 123.61 204.332 79.7557 PRESSAVG: 4139800 -47.519 48.8911 -10.2762 48.8912 64.6776 10.4972 -10.2763 10.4971 0.260839 GPRESSAVG: 4139800 -48.9036 48.415 -12.6262 50.7582 64.7225 9.22834 -10.2114 11.5891 1.80071 TIMING: 4139800 CPU: 12445.7, 0.00304572/step Wall: 12445.7, 0.00304572/step, 0.727759 hours remaining, 208.687500 MB of memory in use. ENERGY: 4139800 754.0476 2084.3731 1948.4310 114.1103 -206296.9520 18173.1066 0.0000 0.0000 34240.8968 -148981.9865 299.0343 -183222.8833 -148889.1560 299.5940 142.9791 177.2301 555537.4443 5.8065 5.8732 PRESSURE: 4140000 67.9115 58.7291 226.472 58.7294 45.4763 -44.7618 226.471 -44.7613 -89.2223 GPRESSURE: 4140000 99.439 52.8147 256.032 104.007 79.7889 -100.635 226.779 -3.6551 -61.2178 PRESSAVG: 4140000 10.4883 -28.7304 19.3506 -28.7303 49.0765 19.011 19.3507 19.0109 -41.739 GPRESSAVG: 4140000 11.3073 -28.9493 22.0157 -30.0519 49.0944 17.7892 19.8389 18.0762 -42.6399 TIMING: 4140000 CPU: 12446.3, 0.00300087/step Wall: 12446.3, 0.00300087/step, 0.716875 hours remaining, 208.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4140000 767.0091 2148.9837 1933.2031 114.5471 -206260.7702 17791.6315 0.0000 0.0000 34458.8387 -149046.5570 300.9376 -183505.3957 -148944.9760 299.7788 8.0552 39.3367 555564.8969 5.9419 5.9206 PRESSURE: 4140200 -139.418 149.993 -58.2219 149.993 16.9079 -72.0036 -58.2226 -72.0035 45.2249 GPRESSURE: 4140200 -108.047 69.8964 -98.5927 201.036 62.873 -55.2955 -28.1471 -64.4381 69.8662 PRESSAVG: 4140200 14.4068 -5.70901 25.5913 -5.7089 10.2052 29.7607 25.5914 29.7606 17.3172 GPRESSAVG: 4140200 14.9944 -5.95256 22.8636 -6.34401 10.4102 29.5929 25.3939 28.8828 17.2637 TIMING: 4140200 CPU: 12447, 0.00301626/step Wall: 12447, 0.00301626/step, 0.720384 hours remaining, 208.687500 MB of memory in use. ENERGY: 4140200 756.7243 2114.8106 1912.6145 112.5972 -206134.9779 17786.8709 0.0000 0.0000 34339.9471 -149111.4132 299.8993 -183451.3604 -149014.2587 299.8383 -25.7618 8.2307 557183.7122 13.9764 14.2227 LDB: ============= START OF LOAD BALANCING ============== 12450.5 LDB: ============== END OF LOAD BALANCING =============== 12450.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12450.5 LDB: ============= START OF LOAD BALANCING ============== 12450.8 LDB: Largest compute 4802 load 0.029694 is 25.1% of average load 0.118196 LDB: Average compute 0.001738 is 1.5% of average load 0.118196 LDB: TIME 12450.8 LOAD: AVG 0.118196 MAX 0.20955 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.242 MB LDB: TIME 12450.8 LOAD: AVG 0.118196 MAX 0.20955 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.445 MB LDB: TIME 12450.8 LOAD: AVG 0.118196 MAX 0.20955 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.445 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12450.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12450.8 PRESSURE: 4140400 -250.762 -4.69048 -10.3812 -4.69037 -89.3926 -104.694 -10.3794 -104.695 56.8129 GPRESSURE: 4140400 -203.99 33.754 35.4432 36.8003 -82.4766 -49.9723 -20.1943 -119.35 91.7469 PRESSAVG: 4140400 -26.011 -3.85754 37.0655 -3.85743 12.0509 2.05081 37.0655 2.05058 6.37224 GPRESSAVG: 4140400 -27.0849 -2.3471 37.6062 -4.62686 11.1803 3.98587 38.0651 2.02054 8.39184 TIMING: 4140400 CPU: 12447.6, 0.00304858/step Wall: 12447.6, 0.00304858/step, 0.727934 hours remaining, 209.218750 MB of memory in use. ENERGY: 4140400 806.4661 2089.3769 1939.8563 106.1565 -206027.1716 17808.2243 0.0000 0.0000 34230.6573 -149046.4342 298.9448 -183277.0915 -148943.9308 299.6874 -94.4472 -64.9067 559185.2907 -2.5293 -2.5042 PRESSURE: 4140600 -79.4452 -126.667 -37.4092 -126.667 169.391 -37.2877 -37.4092 -37.2882 -46.5117 GPRESSURE: 4140600 16.7418 -119.274 -57.858 -119.719 221.887 -20.9998 18.8886 -12.4178 -99.2239 PRESSAVG: 4140600 11.4381 -14.4509 -42.9709 -14.4508 -38.3909 13.775 -42.9709 13.7748 31.3677 GPRESSAVG: 4140600 12.3764 -15.768 -42.9908 -14.0181 -37.5991 13.8612 -43.1048 14.3101 29.8269 TIMING: 4140600 CPU: 12448.2, 0.00296838/step Wall: 12448.2, 0.00296838/step, 0.708618 hours remaining, 209.460938 MB of memory in use. ENERGY: 4140600 778.5288 2151.1607 1929.2698 121.8429 -206419.4437 17997.0555 0.0000 0.0000 34345.4490 -149096.1370 299.9473 -183441.5861 -149002.8536 300.2541 14.4781 46.4681 557585.8837 1.4716 1.5347 PRESSURE: 4140800 153.226 -125.15 -3.5624 -125.149 -5.33742 -33.8145 -3.56219 -33.8146 -69.9605 GPRESSURE: 4140800 219.201 -111.806 -52.2677 -105.693 5.07366 69.0617 23.9346 -43.9823 -38.7636 PRESSAVG: 4140800 -27.5607 -50.106 0.366786 -50.1059 -6.21942 -34.0917 0.366843 -34.0917 -11.5958 GPRESSAVG: 4140800 -26.8711 -48.4069 1.21487 -50.7003 -6.8332 -33.8864 -2.19384 -35.5912 -11.4357 TIMING: 4140800 CPU: 12448.8, 0.00299425/step Wall: 12448.8, 0.00299425/step, 0.714628 hours remaining, 209.460938 MB of memory in use. ENERGY: 4140800 770.6868 2112.6175 1955.2523 116.8293 -206259.4504 17944.6376 0.0000 0.0000 34368.0192 -148991.4076 300.1445 -183359.4268 -148896.6268 299.5585 25.9759 61.8370 557975.8808 -15.1253 -15.0467 PRESSURE: 4141000 -118.172 -181.131 93.7211 -181.131 -18.546 -134.142 93.7213 -134.14 181.941 GPRESSURE: 4141000 -44.5187 -179.543 59.0061 -162.268 -16.459 -157.57 31.4564 -144.234 192.67 PRESSAVG: 4141000 11.2837 20.4687 34.0339 20.4688 -18.6773 -20.0652 34.0338 -20.0653 33.8216 GPRESSAVG: 4141000 8.86231 19.6508 35.5035 19.7558 -16.6436 -20.2325 36.0451 -18.2254 34.2955 TIMING: 4141000 CPU: 12449.4, 0.00299125/step Wall: 12449.4, 0.00299125/step, 0.713745 hours remaining, 209.460938 MB of memory in use. ENERGY: 4141000 737.2452 2130.2425 1896.4748 108.1394 -205964.2077 17688.4623 0.0000 0.0000 34415.1320 -148988.5115 300.5559 -183403.6435 -148887.9542 299.5129 15.0742 43.8975 557394.3842 8.8093 8.8381 PRESSURE: 4141200 8.21252 -30.0876 4.50415 -30.0859 180.398 -46.5073 4.50592 -46.5075 168.241 GPRESSURE: 4141200 39.5297 -49.8295 -2.05713 19.0025 231.335 11.6911 23.0014 -5.99543 179.148 PRESSAVG: 4141200 -55.293 -16.4223 29.8711 -16.4223 -29.9975 -18.312 29.8711 -18.3121 101.048 GPRESSAVG: 4141200 -54.9026 -16.1428 29.5377 -15.9818 -31.4476 -19.0305 28.5751 -18.8086 101.724 TIMING: 4141200 CPU: 12450, 0.00300038/step Wall: 12450, 0.00300038/step, 0.715758 hours remaining, 209.585938 MB of memory in use. ENERGY: 4141200 742.2954 2128.6678 1931.8638 100.2621 -206176.5785 18001.0491 0.0000 0.0000 34302.6427 -148969.7976 299.5735 -183272.4403 -148871.6936 300.1887 118.9505 150.0042 557699.3309 5.2526 5.1244 PRESSURE: 4141400 -240.807 -42.0938 47.1753 -42.0932 -16.9035 275.152 47.1746 275.152 -177.991 GPRESSURE: 4141400 -217.902 -26.6785 101.348 -112.909 3.49051 155.729 -67.087 225.504 -135.727 PRESSAVG: 4141400 -19.7337 -14.7194 -19.4324 -14.7194 70.8086 24.7099 -19.4324 24.7098 -7.80244 GPRESSAVG: 4141400 -18.5847 -17.3902 -19.7302 -13.5403 70.2746 23.5239 -19.1043 25.5165 -8.97389 TIMING: 4141400 CPU: 12450.6, 0.00300512/step Wall: 12450.6, 0.00300512/step, 0.716722 hours remaining, 209.585938 MB of memory in use. ENERGY: 4141400 718.2538 2125.7578 1938.9657 120.6949 -205771.9527 17411.3592 0.0000 0.0000 34524.7420 -148932.1793 301.5132 -183456.9213 -148823.7101 299.6123 -145.2339 -116.7129 556679.1625 14.4242 14.2387 PRESSURE: 4141600 -100.311 -80.3046 111.932 -80.3043 -176.207 112.598 111.931 112.598 -247.857 GPRESSURE: 4141600 -62.2091 -42.2133 218.398 -117.247 -136.424 65.2629 110.108 122.473 -225.331 PRESSAVG: 4141600 21.7353 0.338713 9.00196 0.338672 -15.3099 94.8491 9.00196 94.8491 18.9393 GPRESSAVG: 4141600 20.6618 2.61524 8.1196 -0.939843 -15.6815 97.1749 9.85333 92.5741 20.3433 TIMING: 4141600 CPU: 12451.2, 0.0030252/step Wall: 12451.2, 0.0030252/step, 0.721342 hours remaining, 209.585938 MB of memory in use. ENERGY: 4141600 771.6551 2172.0173 1939.7630 113.4776 -205941.9886 17525.5022 0.0000 0.0000 34402.9304 -149016.6430 300.4493 -183419.5734 -148918.0418 300.3663 -174.7915 -141.3211 557380.5473 8.4549 8.4412 PRESSURE: 4141800 -211.414 -68.1584 3.92578 -68.1584 191.913 48.0504 3.92559 48.0502 -185.753 GPRESSURE: 4141800 -235.262 -144.263 50.2941 -46.2882 215.657 64.9118 -53.9748 58.3502 -88.6427 PRESSAVG: 4141800 61.9921 -41.1091 8.30005 -41.109 -5.56885 1.46997 8.30009 1.47003 -22.7915 GPRESSAVG: 4141800 61.4046 -40.6412 7.1968 -40.0471 -5.03462 2.08737 9.83459 4.1596 -23.6411 TIMING: 4141800 CPU: 12451.8, 0.00298179/step Wall: 12451.8, 0.00298179/step, 0.710826 hours remaining, 209.585938 MB of memory in use. ENERGY: 4141800 723.3016 2145.3667 1946.8961 102.1116 -206273.2325 17804.8733 0.0000 0.0000 34246.9162 -149303.7671 299.0868 -183550.6833 -149201.0636 299.4350 -68.4180 -36.0828 557419.8342 11.2106 10.9096 PRESSURE: 4142000 -286.934 182.009 -16.7057 182.009 -20.4376 107.001 -16.7056 107.001 -187.057 GPRESSURE: 4142000 -215.234 138.784 -35.0245 125.646 -28.4314 64.3388 22.611 40.0397 -143.076 PRESSAVG: 4142000 -28.4389 13.3659 14.0537 13.366 32.0592 53.7997 14.0537 53.7996 -15.8949 GPRESSAVG: 4142000 -27.3419 12.8025 15.2879 13.6701 31.0128 51.6992 11.8749 52.9533 -15.9843 TIMING: 4142000 CPU: 12452.3, 0.00297556/step Wall: 12452.3, 0.00297556/step, 0.709174 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: 4142000 757.9842 2142.6370 1949.0093 120.4524 -206121.4257 17715.2649 0.0000 0.0000 34211.2848 -149224.7931 298.7757 -183436.0779 -149131.9466 298.4955 -164.8092 -128.9136 558894.9561 -4.0916 -4.1044 PRESSURE: 4142200 -43.4187 7.44142 -50.6127 7.44273 127.737 20.9157 -50.6113 20.9149 -229.622 GPRESSURE: 4142200 -4.65271 31.3248 -105.496 -65.3783 160.324 105.332 6.91248 -9.02834 -220.16 PRESSAVG: 4142200 -2.0354 -2.69708 -18.9012 -2.69704 31.8384 -4.59665 -18.9012 -4.59666 -9.83746 GPRESSAVG: 4142200 -1.36712 -4.71051 -20.7747 -2.19715 31.196 -5.7633 -18.5227 -2.89687 -10.1234 TIMING: 4142200 CPU: 12452.9, 0.00296728/step Wall: 12452.9, 0.00296728/step, 0.707036 hours remaining, 209.585938 MB of memory in use. ENERGY: 4142200 728.6601 2122.7262 1959.1652 119.9929 -206346.8910 17830.8021 0.0000 0.0000 34388.3624 -149197.1822 300.3221 -183585.5445 -149101.6167 299.6105 -48.4344 -21.4962 558691.9291 6.6552 6.5685 PRESSURE: 4142400 -132.4 178.368 14.9013 178.368 -343.439 152.06 14.9011 152.061 -389.636 GPRESSURE: 4142400 -84.7442 142.335 70.9554 221.721 -347.103 110.294 5.52739 160.248 -339.262 PRESSAVG: 4142400 7.18795 16.5836 -49.6542 16.5836 81.346 51.0229 -49.6542 51.0231 -84.6828 GPRESSAVG: 4142400 5.80448 18.5477 -49.321 15.9858 82.7691 52.2128 -50.2199 48.6658 -83.7992 TIMING: 4142400 CPU: 12453.5, 0.00295254/step Wall: 12453.5, 0.00295254/step, 0.70336 hours remaining, 209.585938 MB of memory in use. ENERGY: 4142400 751.9650 2104.5212 1949.5452 128.9416 -205754.4624 17398.2712 0.0000 0.0000 34278.2091 -149143.0091 299.3601 -183421.2182 -149043.4681 300.0684 -288.4918 -257.0365 558192.8181 1.2837 1.5915 PRESSURE: 4142600 -303.957 -87.5474 91.0752 -87.5468 78.3065 -228.987 91.0754 -228.985 -67.774 GPRESSURE: 4142600 -273.895 -120.231 118.285 -85.0244 108.639 -207.115 134.115 -168.247 -31.4587 PRESSAVG: 4142600 7.66382 -6.73214 27.9709 -6.73215 67.8672 -24.6826 27.971 -24.6825 -56.1147 GPRESSAVG: 4142600 7.56438 -7.87446 29.3416 -6.56263 67.3823 -23.0873 27.9642 -25.0459 -55.8579 TIMING: 4142600 CPU: 12454.1, 0.00294002/step Wall: 12454.1, 0.00294002/step, 0.700215 hours remaining, 209.585938 MB of memory in use. ENERGY: 4142600 729.4302 2120.2734 1952.8919 118.8223 -205931.4901 17557.5090 0.0000 0.0000 34320.5307 -149132.0327 299.7297 -183452.5633 -149033.2426 299.9441 -97.8082 -65.5715 557011.1645 6.4721 6.3629 PRESSURE: 4142800 -109.28 -15.6763 -51.0042 -15.6769 -323.215 -15.33 -51.0045 -15.3304 -181.685 GPRESSURE: 4142800 -146.311 21.1609 -32.1102 -25.3648 -200.511 13.0855 -37.5552 -85.3102 -164.758 PRESSAVG: 4142800 25.6429 -28.2192 25.4584 -28.2192 3.9869 -6.9996 25.4584 -6.99954 -30.0092 GPRESSAVG: 4142800 26.4287 -26.4026 23.9575 -29.3864 3.9412 -8.90178 27.5311 -6.83739 -31.1178 TIMING: 4142800 CPU: 12454.7, 0.00298414/step Wall: 12454.7, 0.00298414/step, 0.710557 hours remaining, 209.789062 MB of memory in use. ENERGY: 4142800 780.0979 2061.7509 1990.8597 120.3825 -206047.8242 17614.7374 0.0000 0.0000 34293.1955 -149186.8003 299.4910 -183479.9958 -149098.1817 299.7258 -204.7267 -170.5268 557039.7575 -0.1265 -0.2493 PRESSURE: 4143000 195.261 -176.703 39.4474 -176.702 -62.2049 27.016 39.4475 27.0171 -30.1237 GPRESSURE: 4143000 244.058 -133.532 5.61286 -228.596 -48.1091 15.1946 119.923 61.6889 -0.41596 PRESSAVG: 4143000 -44.7039 -18.4387 42.2556 -18.4386 -5.06117 45.9023 42.2556 45.9024 54.4357 GPRESSAVG: 4143000 -45.0668 -19.3887 43.7694 -18.3282 -5.21036 47.5334 40.7064 46.268 54.565 TIMING: 4143000 CPU: 12455.3, 0.00298398/step Wall: 12455.3, 0.00298398/step, 0.710352 hours remaining, 209.789062 MB of memory in use. ENERGY: 4143000 738.6221 2074.4166 1919.0642 114.2377 -206419.3938 17830.7751 0.0000 0.0000 34428.9613 -149313.3167 300.6767 -183742.2781 -149220.1314 299.4514 34.3109 65.1777 554389.8012 1.5569 1.4293 PRESSURE: 4143200 -97.5279 -134.006 -0.0163674 -134.006 153.023 180.01 -0.0170134 180.011 -98.5278 GPRESSURE: 4143200 -84.2861 -130.194 -83.0148 -138.697 177.058 155.9 -21.8811 227.601 -38.4315 PRESSAVG: 4143200 -49.8597 -55.1911 0.474548 -55.1911 75.4212 114.772 0.474554 114.772 -34.5945 GPRESSAVG: 4143200 -49.6936 -55.2439 1.48161 -52.7731 74.0834 112.832 -0.355998 113.995 -33.1786 TIMING: 4143200 CPU: 12455.9, 0.00300021/step Wall: 12455.9, 0.00300021/step, 0.714049 hours remaining, 209.789062 MB of memory in use. ENERGY: 4143200 737.7251 2085.9827 1953.8551 103.6714 -205815.3541 17510.0650 0.0000 0.0000 34254.3402 -149169.7147 299.1517 -183424.0549 -149074.2060 299.6481 -14.3442 18.1134 556621.7227 -3.0110 -2.9296 PRESSURE: 4143400 -251.47 -13.8306 38.5361 -13.8311 55.8013 109.682 38.5359 109.682 -184.917 GPRESSURE: 4143400 -223.405 5.96336 -42.5848 -19.8494 115.122 80.4453 43.5556 127.109 -192.752 PRESSAVG: 4143400 -82.6523 -1.86221 17.4616 -1.86221 33.6037 20.0531 17.4617 20.0531 28.0363 GPRESSAVG: 4143400 -82.2213 -3.12212 16.2789 -3.53614 35.0687 19.9124 19.0874 22.1046 26.2972 TIMING: 4143400 CPU: 12456.5, 0.00298089/step Wall: 12456.5, 0.00298089/step, 0.709286 hours remaining, 209.789062 MB of memory in use. ENERGY: 4143400 766.9830 2048.3584 1942.9148 107.6252 -206030.0508 17552.7509 0.0000 0.0000 34367.8543 -149243.5643 300.1430 -183611.4186 -149152.5729 298.7997 -126.8620 -100.3451 556812.1211 -7.0041 -6.9518 PRESSURE: 4143600 -98.1118 -21.4276 -47.7262 -21.4279 28.2407 105.744 -47.7258 105.744 -182.269 GPRESSURE: 4143600 -42.2951 80.0906 -79.9143 93.1852 40.7881 82.8303 -18.9344 227.27 -154.108 PRESSAVG: 4143600 0.79973 0.26336 6.43696 0.263405 28.3407 74.5569 6.43701 74.5568 -2.55824 GPRESSAVG: 4143600 -0.0665694 2.30363 6.02319 0.106201 28.7113 75.0001 4.95514 72.6742 -2.39929 TIMING: 4143600 CPU: 12457.1, 0.0029453/step Wall: 12457.1, 0.00294529/step, 0.700653 hours remaining, 209.789062 MB of memory in use. ENERGY: 4143600 742.5086 2082.4166 1928.1304 113.4579 -206227.0750 17757.9493 0.0000 0.0000 34173.3068 -149429.3055 298.4440 -183602.6122 -149332.3995 297.9163 -84.0465 -51.8716 557494.3814 8.8607 8.7485 PRESSURE: 4143800 -185.807 -103.166 -99.4015 -103.166 184.727 142.988 -99.4013 142.988 -69.291 GPRESSURE: 4143800 -112.287 -110.909 -75.5113 -136.197 142.302 211.574 -144.68 53.1432 -2.17015 PRESSAVG: 4143800 8.85192 -7.50247 -14.8593 -7.50258 9.90905 66.1472 -14.8593 66.1472 9.21761 GPRESSAVG: 4143800 10.9931 -9.12235 -15.9554 -8.33567 8.67547 68.1765 -14.3989 67.3653 8.48216 TIMING: 4143800 CPU: 12457.7, 0.00296336/step Wall: 12457.7, 0.00296336/step, 0.704786 hours remaining, 209.789062 MB of memory in use. ENERGY: 4143800 750.1644 2105.3907 1951.8685 113.6884 -206358.6188 17797.2408 0.0000 0.0000 34230.8905 -149409.3754 298.9469 -183640.2659 -149319.3985 299.3223 -23.4570 9.2816 555336.7053 9.3262 9.3836 PRESSURE: 4144000 -36.356 191.914 106.824 191.914 -204.808 -20.456 106.825 -20.455 -31.2872 GPRESSURE: 4144000 -22.1726 159.498 4.64789 253.143 -157.572 -110.034 79.0445 127.458 -4.42338 PRESSAVG: 4144000 -38.2817 -6.09268 0.579068 -6.09258 -21.0614 19.15 0.579062 19.1499 44.3322 GPRESSAVG: 4144000 -38.3511 -4.87738 2.28118 -6.4101 -21.9511 17.865 2.4522 19.0849 45.1565 TIMING: 4144000 CPU: 12458.3, 0.00295153/step Wall: 12458.3, 0.00295153/step, 0.701809 hours remaining, 209.789062 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: 4144000 741.2586 2083.7136 1935.2441 109.5974 -206307.0697 17724.6401 0.0000 0.0000 34263.7773 -149448.8386 299.2341 -183712.6159 -149357.8262 298.4408 -90.8171 -61.3893 555023.6153 -5.0037 -5.0485 PRESSURE: 4144200 -66.5457 91.9353 65.0725 91.9364 86.0181 -2.67363 65.073 -2.6735 -174.032 GPRESSURE: 4144200 -40.9111 112.428 8.84476 58.6675 134.992 -6.90365 161.139 -23.9353 -144.474 PRESSAVG: 4144200 39.2722 16.4702 65.638 16.4702 -42.3702 -71.1737 65.6381 -71.1736 12.9195 GPRESSAVG: 4144200 37.6505 16.4004 66.616 16.8637 -41.2808 -72.5755 64.9056 -70.3178 12.915 TIMING: 4144200 CPU: 12458.9, 0.00294543/step Wall: 12458.9, 0.00294543/step, 0.700194 hours remaining, 209.789062 MB of memory in use. ENERGY: 4144200 756.4247 2090.4899 1946.3312 126.2131 -206221.4317 17661.3663 0.0000 0.0000 34096.7277 -149543.8788 297.7752 -183640.6065 -149446.7716 298.3953 -51.5200 -16.7977 555124.2276 3.2738 3.0949 LDB: ============= START OF LOAD BALANCING ============== 12462.4 LDB: ============== END OF LOAD BALANCING =============== 12462.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12462.4 LDB: ============= START OF LOAD BALANCING ============== 12462.7 LDB: Largest compute 4802 load 0.029392 is 24.9% of average load 0.118274 LDB: Average compute 0.001725 is 1.5% of average load 0.118274 LDB: TIME 12462.7 LOAD: AVG 0.118274 MAX 0.209821 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.426 MB LDB: TIME 12462.7 LOAD: AVG 0.118274 MAX 0.209821 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.492 MB LDB: TIME 12462.7 LOAD: AVG 0.118274 MAX 0.209821 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.492 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12462.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12462.7 PRESSURE: 4144400 -75.7256 -184.864 -32.6283 -184.863 -189.219 -259.638 -32.6294 -259.637 -115.183 GPRESSURE: 4144400 -23.1815 -205.615 1.01961 -146.776 -153.715 -173.561 -5.48816 -338.975 -116.87 PRESSAVG: 4144400 8.42513 -6.12146 54.92 -6.12147 -34.36 35.8429 54.92 35.8428 26.6703 GPRESSAVG: 4144400 8.77314 -6.1043 51.9161 -5.19044 -35.3946 36.6202 53.7938 35.8086 27.0373 TIMING: 4144400 CPU: 12459.5, 0.00302671/step Wall: 12459.5, 0.00302672/step, 0.719349 hours remaining, 209.968750 MB of memory in use. ENERGY: 4144400 801.4719 2045.8420 1953.3739 109.5627 -206076.0393 17644.8398 0.0000 0.0000 34059.6331 -149461.3160 297.4512 -183520.9491 -149362.7329 298.5605 -126.7092 -97.9220 555997.4526 0.2451 0.1386 PRESSURE: 4144600 -216.569 -42.4395 -32.4544 -42.4396 -122.789 83.9894 -32.4546 83.9878 -36.5412 GPRESSURE: 4144600 -188.79 -88.3281 46.5064 -105.449 -112.785 88.9058 -79.4459 18.4126 19.8121 PRESSAVG: 4144600 28.7166 -45.4602 5.76543 -45.4602 24.0552 -16.9115 5.76539 -16.9114 -25.1093 GPRESSAVG: 4144600 28.7009 -44.8146 8.48684 -48.0611 25.6916 -15.5468 4.6962 -16.9154 -26.1288 TIMING: 4144600 CPU: 12460.1, 0.00295472/step Wall: 12460.1, 0.00295472/step, 0.702075 hours remaining, 210.039062 MB of memory in use. ENERGY: 4144600 711.2215 2105.1645 1946.1003 114.3149 -206232.8319 17594.8462 0.0000 0.0000 34340.1805 -149421.0041 299.9013 -183761.1846 -149328.3431 298.9969 -125.2998 -93.9210 557017.4571 9.2208 9.4212 PRESSURE: 4144800 182.824 -224.861 -19.9839 -224.862 -56.547 -66.5749 -19.9833 -66.5741 -160.955 GPRESSURE: 4144800 224.095 -264.517 -25.1256 -146.188 -30.0292 -21.324 29.8543 -68.3539 -133.898 PRESSAVG: 4144800 17.4204 -63.2773 21.9366 -63.2774 -43.8084 -36.5356 21.9366 -36.5356 1.40835 GPRESSAVG: 4144800 17.6941 -62.1395 18.9023 -62.7461 -43.8757 -37.1593 25.0648 -38.1698 0.816212 TIMING: 4144800 CPU: 12460.7, 0.00296229/step Wall: 12460.7, 0.00296229/step, 0.703708 hours remaining, 210.039062 MB of memory in use. ENERGY: 4144800 768.8976 2114.6473 1928.5414 112.2773 -206283.5281 17775.1834 0.0000 0.0000 34138.2189 -149445.7622 298.1376 -183583.9811 -149350.6440 298.2412 -11.5591 20.0560 555729.0501 -8.3266 -8.4551 PRESSURE: 4145000 278.882 -235.405 44.2426 -235.406 -54.5072 -14.0935 44.2435 -14.0945 -150.977 GPRESSURE: 4145000 300.673 -261.16 38.2275 -287.295 -44.8138 35.4169 46.4113 -98.1135 -90.6352 PRESSAVG: 4145000 34.4733 -39.9523 -29.0054 -39.9524 -66.8518 18.2986 -29.0054 18.2987 -7.46241 GPRESSAVG: 4145000 34.3561 -43.1834 -24.8649 -36.3033 -67.7224 17.3741 -30.4591 18.7167 -6.68614 TIMING: 4145000 CPU: 12461.3, 0.00296327/step Wall: 12461.3, 0.00296327/step, 0.703776 hours remaining, 210.039062 MB of memory in use. ENERGY: 4145000 746.9916 2035.9399 1972.7203 121.7610 -206303.0050 17913.8147 0.0000 0.0000 34101.8850 -149409.8926 297.8202 -183511.7776 -149307.1350 298.6302 24.4661 55.0746 556868.1812 -13.2803 -13.3508 PRESSURE: 4145200 32.5475 -175.726 25.8026 -175.726 -165.814 -58.0222 25.8034 -58.0214 74.9609 GPRESSURE: 4145200 4.0874 -223.666 42.7949 -197.622 -68.7208 -153.75 -61.3638 55.8624 115.305 PRESSAVG: 4145200 54.543 -42.2388 16.3877 -42.2388 2.81735 -44.8583 16.3879 -44.8583 -53.2422 GPRESSAVG: 4145200 53.0445 -40.4105 14.2561 -44.6617 4.43198 -44.7299 17.6759 -43.5275 -53.6067 TIMING: 4145200 CPU: 12461.9, 0.00300176/step Wall: 12461.9, 0.00300176/step, 0.712751 hours remaining, 210.039062 MB of memory in use. ENERGY: 4145200 738.8680 2115.8050 1953.6203 112.0544 -206380.8497 17766.9698 0.0000 0.0000 34341.5115 -149352.0207 299.9130 -183693.5321 -149259.7203 299.2361 -19.4351 16.8907 556764.2179 1.3727 1.2899 PRESSURE: 4145400 -210.265 -36.4817 -45.7317 -36.4822 -260.022 -36.8339 -45.7322 -36.8339 -81.5181 GPRESSURE: 4145400 -99.2539 -59.9669 -21.6222 1.52971 -273.132 -88.0773 -92.9259 -29.6081 -89.3863 PRESSAVG: 4145400 4.38246 -36.7978 27.6349 -36.7978 -28.0892 17.6302 27.6351 17.6302 16.8559 GPRESSAVG: 4145400 6.08726 -37.2403 28.459 -36.3855 -28.9955 17.0366 25.0778 16.7942 16.1348 TIMING: 4145400 CPU: 12462.5, 0.00300796/step Wall: 12462.5, 0.00300796/step, 0.714057 hours remaining, 210.039062 MB of memory in use. ENERGY: 4145400 785.8045 2124.4138 1940.6765 118.5495 -206354.9313 17670.0726 0.0000 0.0000 34160.2719 -149555.1424 298.3302 -183715.4143 -149454.1150 298.4272 -183.9351 -153.9240 556435.5332 -2.2836 -2.2578 PRESSURE: 4145600 38.8278 18.3839 -32.6734 18.3844 101.181 80.082 -32.6731 80.0822 258.917 GPRESSURE: 4145600 78.9283 0.471461 -16.4511 -31.0108 119.537 130.876 -43.3559 73.539 286.77 PRESSAVG: 4145600 56.6016 -17.6319 -1.15206 -17.632 -71.0705 -40.2036 -1.15211 -40.2037 2.8372 GPRESSAVG: 4145600 56.1761 -18.5976 -1.6392 -16.6787 -71.8431 -40.0054 1.2302 -40.453 3.49249 TIMING: 4145600 CPU: 12463.1, 0.00298856/step Wall: 12463.1, 0.00298856/step, 0.709285 hours remaining, 210.039062 MB of memory in use. ENERGY: 4145600 712.8738 2135.5846 1938.7536 110.0810 -206838.7691 18090.2949 0.0000 0.0000 34204.2981 -149646.8830 298.7146 -183851.1812 -149541.1405 298.1236 132.9751 161.7451 556361.0372 -3.8772 -4.0582 PRESSURE: 4145800 -372.025 -116.277 36.7797 -116.279 -203.971 91.518 36.7794 91.5175 -380.406 GPRESSURE: 4145800 -299.644 -164.828 85.1712 -54.5812 -187.057 50.5948 11.7035 75.0979 -371.956 PRESSAVG: 4145800 -41.0881 20.3475 -5.24537 20.3475 24.0648 -4.81067 -5.24544 -4.81075 41.4212 GPRESSAVG: 4145800 -42.0947 19.7103 -5.53748 19.9944 24.8473 -4.96287 -7.09184 -3.42672 41.8511 TIMING: 4145800 CPU: 12463.6, 0.00294853/step Wall: 12463.6, 0.00294853/step, 0.69962 hours remaining, 210.039062 MB of memory in use. ENERGY: 4145800 756.8114 2090.5947 1932.3431 127.8069 -206324.3853 17662.2797 0.0000 0.0000 34323.6432 -149430.9063 299.7569 -183754.5494 -149328.6941 298.6363 -318.8010 -286.2191 559613.8148 8.1326 8.2013 PRESSURE: 4146000 -107.306 67.7885 -97.2678 67.7884 -152.93 -74.9878 -97.2674 -74.9902 108.189 GPRESSURE: 4146000 -76.4008 52.3641 -119.972 156.033 -59.5885 -33.9585 -67.4272 -59.287 82.5316 PRESSAVG: 4146000 -7.09621 -19.5333 -7.16292 -19.5334 20.7077 30.0425 -7.16303 30.0424 -9.76437 GPRESSAVG: 4146000 -6.99988 -18.0532 -6.89982 -19.7012 21.37 31.8939 -4.10611 27.1188 -10.8343 TIMING: 4146000 CPU: 12464.2, 0.0029736/step Wall: 12464.2, 0.0029736/step, 0.705405 hours remaining, 210.039062 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: 4146000 724.1834 2096.7482 1953.4873 110.8216 -206412.3995 17751.5419 0.0000 0.0000 34368.6952 -149406.9218 300.1504 -183775.6170 -149301.2718 299.0367 -50.6822 -17.8193 557501.2986 1.2824 1.1786 PRESSURE: 4146200 -3.82101 -68.6809 -9.074 -68.6806 181.263 -55.1712 -9.07496 -55.1703 222.355 GPRESSURE: 4146200 81.4684 -107.894 94.1697 -99.4852 206.257 -25.9831 56.3571 -44.6491 213.682 PRESSAVG: 4146200 37.0418 36.2474 -20.1683 36.2472 -48.2337 10.8537 -20.1683 10.8537 32.7088 GPRESSAVG: 4146200 37.2536 35.9865 -19.4529 35.3893 -49.0438 11.3364 -21.9281 11.5607 33.2408 TIMING: 4146200 CPU: 12464.8, 0.00296152/step Wall: 12464.8, 0.00296152/step, 0.702374 hours remaining, 210.039062 MB of memory in use. ENERGY: 4146200 771.9022 2068.1630 1932.0341 119.8071 -206378.1124 18039.2390 0.0000 0.0000 34169.2727 -149277.6943 298.4088 -183446.9670 -149187.2700 299.6201 133.2655 167.1358 556978.0689 7.1723 7.1502 PRESSURE: 4146400 82.2221 26.9846 34.8947 26.9842 -153.394 106.547 34.8939 106.548 -118.914 GPRESSURE: 4146400 123.397 -22.6256 106.791 -58.6481 -105.955 139.887 8.72319 102.352 -100.805 PRESSAVG: 4146400 -11.7081 11.1103 -8.47085 11.1103 4.74947 43.137 -8.47079 43.137 -5.8634 GPRESSAVG: 4146400 -11.3916 12.2343 -7.22282 10.7087 4.71432 41.0342 -10.254 44.799 -6.35286 TIMING: 4146400 CPU: 12465.4, 0.00296468/step Wall: 12465.4, 0.00296468/step, 0.702959 hours remaining, 210.039062 MB of memory in use. ENERGY: 4146400 715.7641 2142.0136 1960.9765 118.9979 -206100.9789 17764.0282 0.0000 0.0000 34159.7641 -149239.4345 298.3257 -183399.1986 -149146.3598 299.7036 -63.3618 -27.7876 557876.7318 -4.2740 -4.3434 PRESSURE: 4146600 64.2941 130.804 23.88 130.804 300.379 110.385 23.879 110.384 105.473 GPRESSURE: 4146600 119.801 61.8963 -65.8236 80.4248 334.233 100.933 104.385 99.2809 108.992 PRESSAVG: 4146600 -7.28053 -24.0165 -26.0915 -24.0163 34.4966 4.71502 -26.0916 4.7149 -61.8456 GPRESSAVG: 4146600 -6.28143 -25.725 -27.9418 -23.9142 33.9005 4.94484 -26.8477 2.6095 -62.2945 TIMING: 4146600 CPU: 12466, 0.00294606/step Wall: 12466, 0.00294606/step, 0.698381 hours remaining, 210.039062 MB of memory in use. ENERGY: 4146600 767.1788 2115.7720 1948.0031 116.8040 -206490.5562 17971.1740 0.0000 0.0000 34526.4152 -149045.2090 301.5278 -183571.6242 -148944.8973 299.5132 156.7152 187.6753 556054.2711 -11.5432 -11.5585 PRESSURE: 4146800 -88.4527 117.487 26.4377 117.487 -242.185 22.432 26.4378 22.4327 61.6487 GPRESSURE: 4146800 -62.369 81.3273 72.022 79.5735 -176.549 -39.5096 37.3309 -6.07431 70.6235 PRESSAVG: 4146800 57.9016 39.6651 9.90793 39.6652 -10.9413 -65.779 9.90784 -65.779 -48.4463 GPRESSAVG: 4146800 57.3031 43.2957 9.90902 40.5307 -10.4834 -67.7674 12.9255 -63.7854 -48.0216 TIMING: 4146800 CPU: 12466.6, 0.00293959/step Wall: 12466.6, 0.00293959/step, 0.696684 hours remaining, 210.039062 MB of memory in use. ENERGY: 4146800 776.8298 2105.6028 1935.3328 117.8109 -206355.3136 17900.5366 0.0000 0.0000 34425.9188 -149093.2819 300.6501 -183519.2007 -148991.9057 300.4936 -89.6630 -56.0983 557713.7989 -0.4953 -0.4006 PRESSURE: 4147000 33.6295 66.2756 -41.8092 66.2751 -23.3511 1.25574 -41.8103 1.25662 -132.115 GPRESSURE: 4147000 70.4664 82.6607 -16.7998 -72.9646 19.4335 -8.12712 -54.9626 -7.8434 -118.092 PRESSAVG: 4147000 10.8683 33.8134 4.42864 33.8135 -32.3338 -1.64394 4.42868 -1.64389 0.789088 GPRESSAVG: 4147000 10.4233 33.9584 7.55447 32.4304 -32.2026 1.01581 2.15695 -3.4734 1.03316 TIMING: 4147000 CPU: 12467.2, 0.0029647/step Wall: 12467.2, 0.0029647/step, 0.702468 hours remaining, 210.039062 MB of memory in use. ENERGY: 4147000 736.9713 2118.5639 1939.4777 105.4687 -206273.8504 17849.2966 0.0000 0.0000 34401.3230 -149122.7490 300.4353 -183524.0720 -149019.5997 300.6702 -40.6121 -9.3974 557528.2464 -6.8921 -6.9154 PRESSURE: 4147200 119.088 -16.0394 17.3565 -16.0399 -205.691 -179.797 17.3553 -179.796 -196.712 GPRESSURE: 4147200 179.638 -61.0159 74.8244 -25.0603 -210.846 -169.737 -60.3685 -276.481 -138.272 PRESSAVG: 4147200 17.0578 -16.2893 -9.16491 -16.2893 -40.1407 10.6787 -9.1649 10.6787 28.6783 GPRESSAVG: 4147200 18.0263 -18.5305 -9.8963 -14.5648 -40.2872 10.2767 -9.61479 11.5944 28.2226 TIMING: 4147200 CPU: 12467.8, 0.00298477/step Wall: 12467.8, 0.00298477/step, 0.70706 hours remaining, 210.039062 MB of memory in use. ENERGY: 4147200 739.5702 2116.4652 1931.5735 99.8272 -205945.4110 17691.9389 0.0000 0.0000 34313.3360 -149052.7000 299.6669 -183366.0360 -148963.1135 299.6157 -94.4383 -56.4931 557865.2204 1.8651 1.9872 PRESSURE: 4147400 -79.9155 92.2236 -29.9393 92.2224 -250.181 15.2679 -29.94 15.2687 53.0487 GPRESSURE: 4147400 -67.2563 145.261 -70.3843 31.8002 -163.295 45.4506 29.5418 -9.28775 38.8692 PRESSAVG: 4147400 31.8798 22.1839 -57.3251 22.1839 3.64675 -19.5799 -57.3252 -19.5799 -37.2349 GPRESSAVG: 4147400 31.1251 24.1393 -59.1096 20.7865 3.14405 -20.5079 -54.618 -18.1471 -36.2362 TIMING: 4147400 CPU: 12468.4, 0.00295949/step Wall: 12468.4, 0.00295949/step, 0.700905 hours remaining, 210.039062 MB of memory in use. ENERGY: 4147400 760.4844 2098.6360 1928.8550 110.2705 -206045.9030 17752.0760 0.0000 0.0000 34253.5195 -149142.0617 299.1445 -183395.5812 -149046.2264 300.2155 -92.3493 -63.8941 558267.6389 -0.5694 -0.6557 PRESSURE: 4147600 -147.013 -24.2901 63.69 -24.2907 -80.5306 -49.6371 63.6901 -49.6369 -103.988 GPRESSURE: 4147600 -98.0744 55.5161 59.7016 -92.6488 -63.7358 -34.1832 58.064 -91.1143 -69.4021 PRESSAVG: 4147600 -41.8148 -15.2143 5.96792 -15.2142 -16.3706 -2.2434 5.96788 -2.24338 0.879924 GPRESSAVG: 4147600 -42.3573 -17.4696 6.2984 -14.4788 -15.7878 -1.77258 5.96294 -4.76928 0.979323 TIMING: 4147600 CPU: 12469, 0.00297826/step Wall: 12469, 0.00297826/step, 0.705187 hours remaining, 210.039062 MB of memory in use. ENERGY: 4147600 738.4764 2108.5418 1932.8746 119.1275 -205907.2256 17517.8424 0.0000 0.0000 34290.5903 -149199.7728 299.4683 -183490.3630 -149098.2644 300.0078 -110.5104 -77.0708 557549.3121 -19.1018 -19.0552 PRESSURE: 4147800 -47.5164 -177.869 -107.495 -177.869 -48.1323 -13.731 -107.496 -13.7321 -196.139 GPRESSURE: 4147800 7.76433 -252.055 -111.29 -56.8161 -14.6908 127.266 -81.2474 -67.9421 -185.316 PRESSAVG: 4147800 -32.7487 -31.3986 -3.70121 -31.3986 81.3463 -12.65 -3.70128 -12.65 -45.9156 GPRESSAVG: 4147800 -31.8795 -31.4034 -3.78995 -30.0365 81.1537 -12.2927 -3.68494 -10.3316 -46.544 TIMING: 4147800 CPU: 12469.6, 0.00297192/step Wall: 12469.6, 0.00297192/step, 0.703519 hours remaining, 210.039062 MB of memory in use. ENERGY: 4147800 737.2136 2100.4253 1943.3538 117.9595 -206167.8933 17613.4574 0.0000 0.0000 34337.9372 -149317.5465 299.8817 -183655.4837 -149227.9527 299.6565 -97.2627 -64.0808 557163.7942 0.8940 0.9101 PRESSURE: 4148000 65.3527 -1.39336 53.2382 -1.39287 49.9496 30.0669 53.2383 30.0647 127.545 GPRESSURE: 4148000 97.3148 -23.2716 104.151 -60.6106 93.734 -7.35393 44.4632 94.6738 153.869 PRESSAVG: 4148000 -75.4496 -2.66861 -3.57074 -2.66861 64.2037 -36.5432 -3.57077 -36.5432 -35.4131 GPRESSAVG: 4148000 -76.6833 -1.57834 -2.11755 -4.87601 66.0452 -36.8447 -4.61999 -37.6983 -35.4162 TIMING: 4148000 CPU: 12470.2, 0.00296347/step Wall: 12470.2, 0.00296347/step, 0.701355 hours remaining, 210.039062 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: 4148000 771.2359 2117.1433 1953.8007 117.6516 -206545.0926 18045.1557 0.0000 0.0000 34241.4403 -149298.6651 299.0390 -183540.1054 -149195.2604 299.6495 80.9490 114.9725 556591.7349 -15.5530 -15.3515 PRESSURE: 4148200 -6.28642 81.3155 32.9008 81.315 18.9792 -2.02808 32.9008 -2.02721 123.158 GPRESSURE: 4148200 16.8425 74.164 81.0185 35.8847 44.1729 -54.4252 -37.7838 -34.2574 167.008 PRESSAVG: 4148200 -33.2839 4.97969 8.76827 4.97975 -15.2555 -21.7987 8.76837 -21.7987 9.69857 GPRESSAVG: 4148200 -33.5307 4.39252 8.77787 5.43051 -16.5712 -21.7576 7.7865 -23.1002 11.46 TIMING: 4148200 CPU: 12470.8, 0.00298862/step Wall: 12470.8, 0.00298862/step, 0.707141 hours remaining, 210.039062 MB of memory in use. ENERGY: 4148200 754.9813 2075.8091 1929.9411 122.5382 -205914.0294 17770.6864 0.0000 0.0000 33944.1972 -149315.8761 296.4431 -183260.0733 -149221.0439 298.9059 45.2837 76.0077 558218.2586 -12.9469 -12.8807 LDB: ============= START OF LOAD BALANCING ============== 12474.3 LDB: ============== END OF LOAD BALANCING =============== 12474.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12474.3 LDB: ============= START OF LOAD BALANCING ============== 12474.6 LDB: Largest compute 4802 load 0.029789 is 25.2% of average load 0.118246 LDB: Average compute 0.001731 is 1.5% of average load 0.118246 LDB: TIME 12474.6 LOAD: AVG 0.118246 MAX 0.212615 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.277 MB LDB: TIME 12474.6 LOAD: AVG 0.118246 MAX 0.212615 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.348 MB LDB: TIME 12474.6 LOAD: AVG 0.118246 MAX 0.212615 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.348 MB LDB: ============== END OF LOAD BALANCING =============== 12474.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12474.6 PRESSURE: 4148400 35.4991 -195.216 7.6089 -195.215 57.2868 99.974 7.60952 99.9729 9.00001 GPRESSURE: 4148400 25.863 -250.306 60.1707 -94.1611 113.985 109.555 -103.451 114.551 47.585 PRESSAVG: 4148400 -23.976 5.63961 -37.2936 5.63957 14.5779 -26.7629 -37.2937 -26.7631 35.1873 GPRESSAVG: 4148400 -23.6669 5.21768 -38.1118 5.93489 14.8002 -27.6953 -36.5913 -28.5145 34.7583 TIMING: 4148400 CPU: 12471.4, 0.0030634/step Wall: 12471.4, 0.0030634/step, 0.724664 hours remaining, 208.476562 MB of memory in use. ENERGY: 4148400 737.4068 2078.5388 1926.5881 118.5036 -206246.9446 18028.1300 0.0000 0.0000 34018.9035 -149338.8739 297.0955 -183357.7773 -149239.6940 297.9977 33.9286 62.4776 558571.9659 8.5964 8.6305 PRESSURE: 4148600 159.332 -6.41627 -104.51 -6.41602 46.2729 -33.1146 -104.509 -33.1133 -250.336 GPRESSURE: 4148600 202.591 61.3064 -203.781 -5.36428 19.4404 -32.5057 -43.1902 -5.67387 -172.212 PRESSAVG: 4148600 46.0121 -2.18756 -42.1835 -2.18741 6.05099 -19.9792 -42.1836 -19.9792 -2.98239 GPRESSAVG: 4148600 44.9396 -0.36637 -42.8468 -3.61465 6.39876 -18.9118 -42.3781 -18.1055 -2.68064 TIMING: 4148600 CPU: 12472, 0.00301305/step Wall: 12472, 0.00301305/step, 0.712587 hours remaining, 208.785156 MB of memory in use. ENERGY: 4148600 734.0014 2078.3725 1947.1459 118.2440 -205814.0803 17644.1786 0.0000 0.0000 34122.3245 -149169.8135 297.9987 -183292.1380 -149079.7473 299.3020 -14.9103 16.6065 557848.0328 16.3602 16.2192 PRESSURE: 4148800 139.195 133.163 15.4366 133.163 131.417 -68.3661 15.4378 -68.3652 -105.699 GPRESSURE: 4148800 183.943 112.161 7.12162 131.289 187.429 -95.4247 20.566 -41.2039 -99.0967 PRESSAVG: 4148800 40.2475 -15.418 -17.7487 -15.4181 -38.2193 -55.7342 -17.7487 -55.7341 1.9611 GPRESSAVG: 4148800 41.1825 -17.7643 -16.5153 -15.063 -37.8064 -56.5283 -17.058 -55.7974 1.39669 TIMING: 4148800 CPU: 12472.6, 0.00300387/step Wall: 12472.6, 0.00300387/step, 0.71025 hours remaining, 208.843750 MB of memory in use. ENERGY: 4148800 731.4379 2117.2321 1926.0145 111.6972 -206069.8091 17860.5567 0.0000 0.0000 34149.0810 -149173.7897 298.2324 -183322.8707 -149081.5965 299.4251 54.9710 90.7583 557287.1125 1.3298 1.5909 PRESSURE: 4149000 193.367 -4.40122 -112.478 -4.40297 -97.5492 98.7472 -112.477 98.747 18.1762 GPRESSURE: 4149000 233.286 16.4724 -228.328 -58.104 -76.101 148.106 -46.0506 50.6323 46.8288 PRESSAVG: 4149000 19.3407 11.7749 -55.6704 11.775 -4.46451 -30.7006 -55.6702 -30.7006 24.9543 GPRESSAVG: 4149000 19.394 13.7373 -56.9866 10.1012 -4.64425 -28.5593 -56.6288 -30.669 24.9697 TIMING: 4149000 CPU: 12473.2, 0.00298274/step Wall: 12473.2, 0.00298274/step, 0.705087 hours remaining, 208.843750 MB of memory in use. ENERGY: 4149000 717.5464 2143.7238 1914.4409 113.7663 -206384.6874 17818.0299 0.0000 0.0000 34388.5920 -149288.5880 300.3241 -183677.1801 -149195.7798 299.7022 37.9981 68.0045 556054.2569 13.2769 13.2398 PRESSURE: 4149200 334.939 -48.4942 -215.586 -48.4936 101.457 208.697 -215.586 208.696 221.894 GPRESSURE: 4149200 380.944 -80.9388 -204.321 -39.6413 118.355 260.485 -131.202 150.079 253.585 PRESSAVG: 4149200 30.8228 -7.76623 -4.10151 -7.76619 25.1665 23.749 -4.1016 23.7491 4.40915 GPRESSAVG: 4149200 30.7786 -7.55576 -2.8567 -4.66106 25.6789 22.9134 -5.08423 25.2071 3.83649 TIMING: 4149200 CPU: 12473.8, 0.00298777/step Wall: 12473.8, 0.00298777/step, 0.706109 hours remaining, 208.843750 MB of memory in use. ENERGY: 4149200 750.7050 2109.5732 1924.0752 107.5846 -206390.9476 18091.9870 0.0000 0.0000 34258.0871 -149148.9354 299.1844 -183407.0225 -149052.5952 299.5100 219.4300 250.9614 556381.7921 20.1328 20.0980 PRESSURE: 4149400 8.46317 -34.823 -48.772 -34.8229 30.0731 24.8639 -48.7727 24.8635 -118.697 GPRESSURE: 4149400 100.044 -62.5171 -75.1531 -32.4367 6.89203 64.6451 0.390125 28.5384 -90.2322 PRESSAVG: 4149400 -20.0332 -24.2504 -64.7073 -24.2504 6.30083 -15.2851 -64.7073 -15.2851 43.0524 GPRESSAVG: 4149400 -20.3799 -23.8988 -65.9581 -26.555 5.11358 -14.2607 -64.7563 -17.7497 44.2188 TIMING: 4149400 CPU: 12474.4, 0.00299305/step Wall: 12474.4, 0.00299305/step, 0.707191 hours remaining, 208.843750 MB of memory in use. ENERGY: 4149400 747.0653 2052.5439 1954.3846 114.8183 -206051.0146 17781.2647 0.0000 0.0000 34251.2212 -149149.7166 299.1244 -183400.9378 -149050.0854 299.4020 -26.7202 5.5679 557561.2843 9.7733 9.6508 PRESSURE: 4149600 -347.761 119.834 -87.9816 119.833 41.7862 -94.1504 -87.9821 -94.1514 -162.226 GPRESSURE: 4149600 -374.299 124.197 -74.1995 36.0223 105.139 -107.567 -62.4705 -85.1863 -97.0201 PRESSAVG: 4149600 -39.3458 36.055 -37.4404 36.055 -47.8343 -5.83207 -37.4404 -5.83212 77.8307 GPRESSAVG: 4149600 -39.3276 35.3529 -36.8489 35.5799 -47.0358 -5.39676 -36.349 -4.00496 77.171 TIMING: 4149600 CPU: 12475, 0.00294857/step Wall: 12475, 0.00294857/step, 0.696518 hours remaining, 208.843750 MB of memory in use. ENERGY: 4149600 739.2870 2070.0193 1946.6308 108.1319 -205993.1459 17670.3111 0.0000 0.0000 34308.3402 -149150.4255 299.6233 -183458.7657 -149054.8933 299.8716 -156.0671 -122.0599 558106.4615 -3.1165 -3.0642 PRESSURE: 4149800 28.3109 28.1323 53.1628 28.1325 -341.738 -16.4776 53.1635 -16.4783 -107.802 GPRESSURE: 4149800 25.1027 18.0237 57.3431 21.7262 -258.949 -42.9294 26.9161 60.3008 -94.9215 PRESSAVG: 4149800 -27.0499 35.6361 -37.8444 35.6361 -29.6762 -28.2744 -37.8444 -28.2745 32.1039 GPRESSAVG: 4149800 -27.8494 36.542 -38.08 36.841 -29.2588 -27.7182 -36.4152 -30.0505 32.4975 TIMING: 4149800 CPU: 12475.6, 0.00298166/step Wall: 12475.6, 0.00298166/step, 0.704168 hours remaining, 208.843750 MB of memory in use. ENERGY: 4149800 734.7676 2060.0909 1980.2905 114.8538 -205620.3857 17495.3139 0.0000 0.0000 34012.8741 -149222.1949 297.0429 -183235.0689 -149128.6198 299.7361 -140.4097 -109.5893 558065.1498 -8.2074 -8.2036 PRESSURE: 4150000 66.4994 -64.3141 40.8455 -64.3137 -20.8082 -145.472 40.8449 -145.472 -53.3777 GPRESSURE: 4150000 129.357 65.9477 92.1107 -104.653 5.34736 -269.135 -1.42881 -66.5969 -37.8925 PRESSAVG: 4150000 37.5518 -32.9038 -2.33634 -32.9037 5.6369 -17.482 -2.33632 -17.4819 -37.0683 GPRESSAVG: 4150000 37.7752 -33.2826 -2.15104 -31.9746 5.40492 -20.974 -2.97102 -14.6538 -36.4668 TIMING: 4150000 CPU: 12476.2, 0.0029864/step Wall: 12476.2, 0.0029864/step, 0.705121 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: 4150000 739.0737 2078.5617 1921.4572 118.7501 -206376.9318 17844.4872 0.0000 0.0000 34488.2368 -149186.3652 301.1944 -183674.6020 -149090.0671 299.0067 -2.5622 32.2705 557511.6685 2.0401 2.2378 PRESSURE: 4150200 -142.858 166.173 -106.92 166.174 133.356 -46.5398 -106.92 -46.5396 -27.5212 GPRESSURE: 4150200 -101.413 182.744 -217.424 141.04 158.564 -118.3 -105.101 -124.795 4.7496 PRESSAVG: 4150200 -36.4465 59.0908 -23.7371 59.0907 65.5811 4.29596 -23.7371 4.29595 -6.8827 GPRESSAVG: 4150200 -36.663 61.2836 -24.5895 56.5107 65.4518 7.00892 -24.319 2.07259 -6.74757 TIMING: 4150200 CPU: 12476.7, 0.00296428/step Wall: 12476.7, 0.00296428/step, 0.699736 hours remaining, 208.843750 MB of memory in use. ENERGY: 4150200 702.0835 2040.8201 1929.2660 110.5095 -206176.1193 17783.0215 0.0000 0.0000 34471.9309 -149138.4877 301.0519 -183610.4187 -149046.3412 300.0881 -12.3413 20.6334 558805.5985 7.4173 7.3471 PRESSURE: 4150400 -195.23 -129.429 -92.0146 -129.427 -0.0503759 -34.2129 -92.0161 -34.2128 230.88 GPRESSURE: 4150400 -151.273 -129.328 -167.637 -134.053 89.106 -6.32042 -82.659 -51.9955 200.47 PRESSAVG: 4150400 -42.9184 72.1902 -11.8369 72.1902 2.3472 2.38728 -11.8369 2.38728 9.63431 GPRESSAVG: 4150400 -42.9543 69.9644 -11.3973 72.6013 3.18324 2.53567 -11.5906 1.90749 8.43299 TIMING: 4150400 CPU: 12477.3, 0.00295396/step Wall: 12477.3, 0.00295396/step, 0.697135 hours remaining, 208.843750 MB of memory in use. ENERGY: 4150400 744.7339 2070.0216 1920.8091 107.3987 -205959.8967 17842.1023 0.0000 0.0000 34130.1834 -149144.6477 298.0674 -183274.8311 -149058.7106 299.7654 11.8664 46.1008 558123.2601 -10.3123 -10.4460 PRESSURE: 4150600 186.528 47.4148 62.3271 47.4155 -84.5422 -53.6352 62.3282 -53.6353 102.159 GPRESSURE: 4150600 205.906 136.847 57.8222 13.9854 -44.8016 -115.973 107.269 67.8024 121.218 PRESSAVG: 4150600 28.7151 4.73612 2.47551 4.73615 43.8213 -4.32212 2.47555 -4.32205 -21.9262 GPRESSAVG: 4150600 28.2152 5.99709 2.14206 5.63608 43.3998 -7.34401 4.33349 -2.79602 -21.32 TIMING: 4150600 CPU: 12477.9, 0.00295685/step Wall: 12477.9, 0.00295685/step, 0.697652 hours remaining, 208.843750 MB of memory in use. ENERGY: 4150600 752.6323 2065.9241 1942.3539 111.6578 -205827.9717 17681.2278 0.0000 0.0000 34222.2031 -149051.9726 298.8710 -183274.1757 -148960.9747 299.1072 68.0484 94.1074 556206.8138 16.8701 16.7650 PRESSURE: 4150800 84.8902 236.692 35.609 236.692 -127.172 -79.2296 35.6095 -79.2321 182.588 GPRESSURE: 4150800 132.462 213.606 48.7095 142.567 -115.44 -104.366 71.9358 -58.4163 229.48 PRESSAVG: 4150800 24.3028 -44.8142 51.8035 -44.8143 30.3315 -39.9198 51.8035 -39.92 -45.4559 GPRESSAVG: 4150800 24.2786 -45.4338 52.6282 -44.0771 30.2896 -38.5969 50.4797 -40.626 -45.0459 TIMING: 4150800 CPU: 12478.5, 0.00297018/step Wall: 12478.5, 0.00297018/step, 0.700633 hours remaining, 208.843750 MB of memory in use. ENERGY: 4150800 739.0758 2096.3508 1910.3436 110.1361 -205956.5383 17884.0165 0.0000 0.0000 34259.7837 -148956.8319 299.1992 -183216.6156 -148864.9058 300.2706 46.7689 82.1671 559185.6418 3.0595 3.1741 PRESSURE: 4151000 15.8504 199.926 -19.4641 199.928 -203.037 -33.8408 -19.4644 -33.8396 -77.1273 GPRESSURE: 4151000 29.6815 156.695 -55.3761 175.633 -215.594 -26.055 51.8555 5.33982 22.3363 PRESSAVG: 4151000 -18.2954 32.4656 -47.7539 32.4657 -30.1675 -3.04962 -47.754 -3.04973 52.3223 GPRESSAVG: 4151000 -17.5655 33.0832 -46.3449 31.8463 -30.5539 -4.05181 -49.3832 -2.14293 51.3695 TIMING: 4151000 CPU: 12479.1, 0.00297043/step Wall: 12479.1, 0.00297043/step, 0.700527 hours remaining, 208.843750 MB of memory in use. ENERGY: 4151000 752.6697 2041.4827 1959.0340 102.2494 -206131.1921 17777.2307 0.0000 0.0000 34382.4259 -149116.0997 300.2703 -183498.5256 -149019.6436 299.7902 -88.1047 -54.5253 557453.0540 1.2865 1.0834 PRESSURE: 4151200 159.306 -63.6779 -84.102 -63.6779 13.2693 -91.6893 -84.1018 -91.6905 -1.51887 GPRESSURE: 4151200 139.141 -36.8096 -58.933 -119.354 70.9605 -119.468 -115.597 -27.4686 62.3955 PRESSAVG: 4151200 32.9913 61.8264 -9.77364 61.8265 -69.5775 -30.6547 -9.77369 -30.6548 13.0492 GPRESSAVG: 4151200 32.6018 63.7471 -10.5777 61.4316 -68.8868 -29.9876 -8.88185 -29.5914 13.143 TIMING: 4151200 CPU: 12479.7, 0.00294688/step Wall: 12479.7, 0.00294688/step, 0.694808 hours remaining, 208.843750 MB of memory in use. ENERGY: 4151200 772.1645 2116.2025 1939.9012 124.5096 -206275.1232 17810.1338 0.0000 0.0000 34398.8422 -149113.3694 300.4136 -183512.2116 -149023.1402 300.1049 57.0189 90.8324 555772.4901 -7.8457 -7.7140 PRESSURE: 4151400 -286.176 -54.7023 -52.3135 -54.7031 70.923 37.4714 -52.3124 37.4715 -256.668 GPRESSURE: 4151400 -240.209 -31.0741 8.69595 -37.0199 53.3456 -8.11057 -92.8027 20.9746 -188.508 PRESSAVG: 4151400 -30.5571 -5.0724 3.32827 -5.07237 17.2057 -15.4071 3.32829 -15.4071 51.5883 GPRESSAVG: 4151400 -30.7645 -6.71412 1.34972 -5.38715 16.7064 -13.8601 5.4553 -18.4672 52.2319 TIMING: 4151400 CPU: 12480.3, 0.0029538/step Wall: 12480.3, 0.0029538/step, 0.696276 hours remaining, 208.843750 MB of memory in use. ENERGY: 4151400 722.8215 2082.6470 1938.6942 108.2992 -205755.6668 17479.4910 0.0000 0.0000 34158.3525 -149265.3615 298.3134 -183423.7140 -149170.2331 299.5323 -157.3070 -125.1237 558182.7275 12.7456 12.7246 PRESSURE: 4151600 -29.6997 91.164 -152.908 91.164 -127.317 91.763 -152.909 91.7627 -6.81012 GPRESSURE: 4151600 -30.2409 92.147 -125.245 102.818 -39.6192 64.4626 -113.784 172.839 -2.03281 PRESSAVG: 4151600 12.5435 21.6126 -32.9983 21.6127 -16.3267 27.3633 -32.9983 27.3633 2.29031 GPRESSAVG: 4151600 12.3718 22.74 -33.2195 23.5431 -15.7836 24.3995 -34.2863 28.5721 2.43076 TIMING: 4151600 CPU: 12480.9, 0.002945/step Wall: 12480.9, 0.002945/step, 0.694038 hours remaining, 208.843750 MB of memory in use. ENERGY: 4151600 708.6122 2034.0038 1960.9341 122.1711 -206476.9480 17916.5158 0.0000 0.0000 34497.0917 -149237.6192 301.2717 -183734.7109 -149147.4768 299.5203 -54.6091 -23.9643 557648.2850 -0.4976 -0.3270 PRESSURE: 4151800 -68.4268 100.239 215.636 100.24 56.9011 26.7524 215.636 26.7531 231.626 GPRESSURE: 4151800 -25.6931 80.546 222.031 100.374 73.1078 19.655 192.056 -2.63629 255.207 PRESSAVG: 4151800 -11.6068 12.2738 19.7322 12.2737 1.15929 39.5789 19.7322 39.579 4.96872 GPRESSAVG: 4151800 -10.5596 10.3312 21.7528 12.6509 0.59766 41.0915 20.0894 40.7637 5.04253 TIMING: 4151800 CPU: 12481.5, 0.00295328/step Wall: 12481.5, 0.00295328/step, 0.695826 hours remaining, 208.855469 MB of memory in use. ENERGY: 4151800 729.7736 2084.5045 1928.1171 110.7772 -206385.3230 17898.1380 0.0000 0.0000 34116.2021 -149517.8106 297.9453 -183634.0126 -149423.7394 299.0727 73.3668 100.8740 556364.1000 -1.8263 -1.6398 PRESSURE: 4152000 -302.608 100.431 -126.946 100.431 2.91868 60.9941 -126.946 60.9922 -179.121 GPRESSURE: 4152000 -239.767 92.3285 -159.135 36.5643 8.63659 106.635 -62.1565 -11.5154 -140.401 PRESSAVG: 4152000 -14.5114 -18.8834 -21.6981 -18.8833 21.7715 32.699 -21.6982 32.6988 7.35269 GPRESSAVG: 4152000 -12.7621 -17.104 -21.7373 -20.505 22.4886 30.7732 -22.2504 32.3816 5.32356 TIMING: 4152000 CPU: 12482.1, 0.00294606/step Wall: 12482.1, 0.00294606/step, 0.69396 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: 4152000 719.6484 2103.9733 1915.6175 104.4527 -206179.7979 17603.9920 0.0000 0.0000 34153.3957 -149578.7185 298.2701 -183732.1142 -149482.8685 298.5275 -159.6036 -123.8438 558361.5099 4.8709 5.0167 PRESSURE: 4152200 -181.304 96.7294 -21.2932 96.7298 -129.243 -93.9843 -21.2934 -93.9845 183.607 GPRESSURE: 4152200 -154.774 193.335 -34.7758 113.927 -41.5147 -117.961 -21.9037 -132.377 179.917 PRESSAVG: 4152200 -43.1709 75.9362 -8.41401 75.9362 64.9431 -55.3945 -8.41404 -55.3946 9.63821 GPRESSAVG: 4152200 -45.1208 75.0898 -8.63137 77.9602 65.7809 -55.781 -6.16656 -54.7628 11.1947 TIMING: 4152200 CPU: 12482.7, 0.00293384/step Wall: 12482.7, 0.00293384/step, 0.690918 hours remaining, 208.855469 MB of memory in use. ENERGY: 4152200 738.3247 2110.5289 1923.9607 110.0754 -206534.0467 17835.6085 0.0000 0.0000 34180.8557 -149634.6929 298.5099 -183815.5486 -149538.7451 298.3417 -42.3133 -5.4572 555852.0929 10.4701 10.6183 LDB: ============= START OF LOAD BALANCING ============== 12486.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12486.2 LDB: =============== DONE WITH MIGRATION ================ 12486.2 LDB: ============= START OF LOAD BALANCING ============== 12486.5 LDB: Largest compute 4773 load 0.029192 is 24.7% of average load 0.118244 LDB: Average compute 0.001720 is 1.5% of average load 0.118244 LDB: TIME 12486.5 LOAD: AVG 0.118244 MAX 0.210564 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.426 MB LDB: TIME 12486.5 LOAD: AVG 0.118244 MAX 0.210564 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.426 MB LDB: TIME 12486.5 LOAD: AVG 0.118244 MAX 0.210564 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.426 MB LDB: ============== END OF LOAD BALANCING =============== 12486.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12486.5 PRESSURE: 4152400 -153.73 -18.6134 244.259 -18.6143 128.185 67.5562 244.26 67.5561 23.7321 GPRESSURE: 4152400 -127.592 -85.6994 316.901 53.9772 152.167 137.037 267.974 152.53 70.5548 PRESSAVG: 4152400 -35.0096 3.34086 -12.5399 3.34089 52.5618 23.5554 -12.5398 23.5554 -14.3179 GPRESSAVG: 4152400 -34.8712 3.07869 -13.1545 3.47264 52.3219 25.3059 -14.3477 22.0001 -13.3194 TIMING: 4152400 CPU: 12483.3, 0.00301384/step Wall: 12483.3, 0.00301384/step, 0.709591 hours remaining, 210.867188 MB of memory in use. ENERGY: 4152400 755.4519 2092.1541 1915.3712 113.2050 -206460.1164 17708.8509 0.0000 0.0000 34189.1986 -149685.8846 298.5828 -183875.0832 -149584.9443 298.5858 -0.6044 31.7100 555045.0308 1.0781 1.3771 PRESSURE: 4152600 -57.3722 67.9141 116.676 67.9163 -179.813 136.847 116.676 136.846 25.6748 GPRESSURE: 4152600 26.9444 37.1648 153.22 55.4801 -184.166 121 126.852 108.737 46.523 PRESSAVG: 4152600 20.2068 -53.2239 16.7108 -53.2239 5.6564 42.4498 16.7109 42.4498 10.7057 GPRESSAVG: 4152600 21.5617 -53.0546 15.0415 -53.7039 5.62068 41.5611 18.2686 44.1124 9.88608 TIMING: 4152600 CPU: 12483.8, 0.00296357/step Wall: 12483.8, 0.00296357/step, 0.697592 hours remaining, 211.070312 MB of memory in use. ENERGY: 4152600 761.0144 2103.8077 1923.2377 106.1606 -206430.2020 17826.7952 0.0000 0.0000 34103.5746 -149605.6117 297.8350 -183709.1863 -149513.0569 298.2748 -70.5033 -36.8995 556391.5925 12.1896 12.3562 PRESSURE: 4152800 -204.956 -67.429 -21.8791 -67.4285 -88.4023 -22.2589 -21.8774 -22.2593 56.5001 GPRESSURE: 4152800 -170.559 -64.8556 -14.864 -29.0293 -62.7739 -52.2309 1.52935 -17.621 105.69 PRESSAVG: 4152800 -36.908 -2.86936 53.0076 -2.86932 -10.5992 -41.9441 53.0076 -41.944 53.1729 GPRESSAVG: 4152800 -38.9851 -2.86412 54.8816 -2.77617 -9.41258 -42.6356 51.6258 -42.3468 53.9024 TIMING: 4152800 CPU: 12484.4, 0.00295775/step Wall: 12484.4, 0.00295775/step, 0.696057 hours remaining, 211.070312 MB of memory in use. ENERGY: 4152800 781.5228 2063.4394 1937.6440 112.3959 -206359.0675 17868.0262 0.0000 0.0000 34316.8092 -149279.2299 299.6972 -183596.0390 -149187.7813 298.8046 -78.9529 -42.5475 556457.0213 1.8886 1.8349 PRESSURE: 4153000 -286.065 -68.0409 22.4424 -68.0414 -117.377 21.0302 22.4426 21.0291 -286.1 GPRESSURE: 4153000 -255.259 -56.6075 110.663 -165.778 -142.077 93.399 -13.0685 -3.86323 -199.681 PRESSAVG: 4153000 22.0561 -39.493 2.38879 -39.493 -35.3696 16.6328 2.38884 16.6327 35.5761 GPRESSAVG: 4153000 23.5857 -40.6159 2.13599 -41.3914 -37.0553 18.4688 0.539059 14.7247 35.3403 TIMING: 4153000 CPU: 12485, 0.00299267/step Wall: 12485, 0.00299267/step, 0.704108 hours remaining, 211.273438 MB of memory in use. ENERGY: 4153000 767.7178 2087.8504 1920.8640 100.0597 -206079.9385 17443.4260 0.0000 0.0000 34371.5064 -149388.5143 300.1749 -183760.0206 -149288.9604 299.4163 -229.8472 -199.0055 555818.2418 7.4209 7.2902 PRESSURE: 4153200 398.106 -210.014 -52.5676 -210.013 42.4507 -89.7261 -52.5683 -89.7253 214.265 GPRESSURE: 4153200 383.711 -266.585 2.24314 -157.951 65.3783 -114.445 -44.2033 -80.8832 305.592 PRESSAVG: 4153200 -4.03597 -76.7389 -14.0818 -76.7388 42.2445 75.2664 -14.0818 75.2664 -25.7422 GPRESSAVG: 4153200 -6.0934 -75.4371 -16.1824 -73.299 43.9333 75.4477 -9.84801 74.0888 -25.3617 TIMING: 4153200 CPU: 12485.6, 0.00299185/step Wall: 12485.6, 0.00299185/step, 0.70375 hours remaining, 211.273438 MB of memory in use. ENERGY: 4153200 722.3252 2047.2070 1927.5929 109.8739 -206642.4329 18143.7380 0.0000 0.0000 34079.6063 -149612.0895 297.6257 -183691.6958 -149513.6850 299.0287 218.2738 251.5602 556905.4254 4.1554 4.1594 PRESSURE: 4153400 29.4231 -58.4042 113.971 -58.4034 134.354 120.219 113.97 120.218 195.303 GPRESSURE: 4153400 32.0134 -40.0114 77.3106 -169.568 183.924 -3.08111 113.574 178.58 239.749 PRESSAVG: 4153400 38.1641 -23.4573 43.0976 -23.4573 -44.3118 31.0164 43.0976 31.0163 -3.74061 GPRESSAVG: 4153400 39.1922 -23.3868 44.3211 -26.1118 -45.4003 30.7357 39.7971 31.7374 -4.02986 TIMING: 4153400 CPU: 12486.2, 0.00296381/step Wall: 12486.2, 0.00296381/step, 0.69699 hours remaining, 211.273438 MB of memory in use. ENERGY: 4153400 767.7072 2136.5052 1938.7391 114.9452 -206584.7217 18080.4035 0.0000 0.0000 34126.3074 -149420.1141 298.0335 -183546.4214 -149324.4872 298.5568 119.6931 151.8956 555861.9876 -3.2961 -3.4127 PRESSURE: 4153600 205.467 -55.5595 60.5014 -55.5592 -120.325 -22.1311 60.5016 -22.1317 -250.295 GPRESSURE: 4153600 251.311 -20.9917 57.9341 -8.17419 -134.551 0.514939 63.6588 -102.8 -184.593 PRESSAVG: 4153600 26.913 -39.2192 -20.6833 -39.2194 7.65663 0.344995 -20.6834 0.345004 -33.7659 GPRESSAVG: 4153600 26.4895 -41.2485 -20.3287 -37.5489 7.97392 0.779296 -20.0729 0.494371 -33.4529 TIMING: 4153600 CPU: 12486.8, 0.0029517/step Wall: 12486.8, 0.0029517/step, 0.693978 hours remaining, 211.273438 MB of memory in use. ENERGY: 4153600 738.0522 2029.9131 1950.7438 118.8977 -206073.3039 17700.6851 0.0000 0.0000 34215.3600 -149319.6520 298.8112 -183535.0120 -149219.0473 299.2119 -55.0508 -22.6109 558429.3277 0.2679 0.3368 PRESSURE: 4153800 36.1609 3.62635 132.281 3.6258 -40.5788 246.864 132.28 246.864 -3.97457 GPRESSURE: 4153800 62.5605 14.9866 36.2178 -51.4183 8.2458 185.257 113.83 261.873 21.1959 PRESSAVG: 4153800 15.0426 3.21712 -20.7487 3.21705 -8.08384 -24.9952 -20.7488 -24.9952 54.1298 GPRESSAVG: 4153800 15.9943 5.37059 -20.5419 3.46956 -7.86221 -27.6005 -19.7417 -25.0152 53.1477 TIMING: 4153800 CPU: 12487.4, 0.00295134/step Wall: 12487.4, 0.00295134/step, 0.693729 hours remaining, 211.281250 MB of memory in use. ENERGY: 4153800 759.6549 2102.6171 1925.8739 120.3237 -206734.8354 18046.4716 0.0000 0.0000 34432.9880 -149346.9062 300.7118 -183779.8942 -149259.3645 299.3306 -2.7975 30.6674 558102.6189 20.3629 20.4266 PRESSURE: 4154000 -294.735 -129.47 -120.57 -129.472 -239.639 46.8465 -120.571 46.846 -81.8478 GPRESSURE: 4154000 -240.165 -153.742 -104.223 -65.0565 -263.652 30.3897 -74.1397 33.5092 -25.2265 PRESSAVG: 4154000 66.2298 -65.7551 -15.9969 -65.7551 -32.5791 -47.2278 -15.9969 -47.2277 -56.1585 GPRESSAVG: 4154000 66.2522 -65.3531 -14.6323 -67.7891 -33.9754 -43.0418 -17.5712 -48.4767 -55.3513 TIMING: 4154000 CPU: 12488, 0.00296887/step Wall: 12488, 0.00296887/step, 0.697684 hours remaining, 211.281250 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: 4154000 769.1878 2093.2517 1945.8525 111.8920 -206218.6526 17674.1983 0.0000 0.0000 34186.6794 -149437.5909 298.5608 -183624.2704 -149333.1641 298.5865 -205.4074 -176.3479 557291.2710 -7.5026 -7.6915 PRESSURE: 4154200 58.2723 -50.3424 46.9151 -50.3432 101.553 112.188 46.9148 112.188 172.143 GPRESSURE: 4154200 85.6124 -85.4629 3.26123 -74.4374 81.1825 108.687 80.9176 90.427 261.272 PRESSAVG: 4154200 -25.1006 -34.2483 17.2527 -34.2482 43.1353 24.8214 17.2528 24.8214 -61.0246 GPRESSAVG: 4154200 -25.0546 -36.5107 16.6511 -33.0577 44.4745 19.7752 17.1954 27.4549 -61.9814 TIMING: 4154200 CPU: 12488.6, 0.00296522/step Wall: 12488.6, 0.00296522/step, 0.696661 hours remaining, 211.281250 MB of memory in use. ENERGY: 4154200 730.2833 2064.3144 1936.2485 112.7691 -206419.3232 17971.3490 0.0000 0.0000 34170.3171 -149434.0418 298.4179 -183604.3589 -149344.7237 298.6285 110.6562 142.6890 555758.2186 -14.3300 -14.1872 PRESSURE: 4154400 -341.124 121.015 10.3226 121.015 158.868 222.577 10.3226 222.577 -166.377 GPRESSURE: 4154400 -272.289 84.0799 129.606 -3.66114 187.192 186.097 16.6003 284.958 -168.305 PRESSAVG: 4154400 -17.8162 31.6649 37.9642 31.6648 72.1254 85.4409 37.9642 85.4407 -38.0026 GPRESSAVG: 4154400 -16.9164 33.0882 37.1765 31.2014 71.7931 88.6973 41.1099 84.2271 -38.249 TIMING: 4154400 CPU: 12489.2, 0.00295127/step Wall: 12489.2, 0.00295127/step, 0.69322 hours remaining, 211.281250 MB of memory in use. ENERGY: 4154400 739.8582 2092.6896 1950.8692 129.1629 -206216.3972 17674.6564 0.0000 0.0000 34168.4920 -149460.6691 298.4019 -183629.1611 -149358.7901 299.3577 -116.2110 -84.4674 556550.1666 5.4355 5.5426 PRESSURE: 4154600 195.074 -163.626 -41.9294 -163.627 24.1237 92.1765 -41.9291 92.1753 52.4758 GPRESSURE: 4154600 212.667 -54.7995 -39.26 -230.043 65.0793 103.113 -7.81533 31.8376 68.1114 PRESSAVG: 4154600 -2.4637 17.6614 -35.514 17.6614 -2.35262 37.4162 -35.5139 37.4162 43.4502 GPRESSAVG: 4154600 -3.0943 16.5001 -34.4635 17.8236 -1.43427 35.4401 -38.5655 37.8543 43.2078 TIMING: 4154600 CPU: 12489.8, 0.00297148/step Wall: 12489.8, 0.00297148/step, 0.697802 hours remaining, 211.281250 MB of memory in use. ENERGY: 4154600 706.8745 2130.5152 1970.1486 120.9138 -206538.0213 17848.6287 0.0000 0.0000 34227.9978 -149532.9427 298.9216 -183760.9405 -149432.2334 297.9018 90.5577 115.2858 556003.6894 12.8780 12.8931 PRESSURE: 4154800 -103.657 248.013 -23.2506 248.012 -277.487 12.0709 -23.2523 12.0717 -57.0352 GPRESSURE: 4154800 -99.3416 269.943 -22.9315 210.479 -277.545 96.5051 -52.2304 -50.1458 29.4261 PRESSAVG: 4154800 -13.0447 9.63234 -11.281 9.63226 -13.957 -5.30727 -11.2811 -5.30726 42.4008 GPRESSAVG: 4154800 -12.6611 11.5517 -11.0935 8.5777 -14.8598 -3.83966 -10.6995 -4.20674 43.2515 TIMING: 4154800 CPU: 12490.4, 0.00299271/step Wall: 12490.4, 0.00299271/step, 0.702621 hours remaining, 211.281250 MB of memory in use. ENERGY: 4154800 759.9605 2082.0104 1933.8587 112.6476 -206581.0266 17847.4158 0.0000 0.0000 34404.5155 -149440.6182 300.4632 -183845.1337 -149344.4712 299.1946 -146.0599 -115.8203 558117.2660 5.1330 5.2435 PRESSURE: 4155000 -79.1569 -196.858 -176.969 -196.86 13.5553 50.3879 -176.969 50.386 18.3445 GPRESSURE: 4155000 -24.0924 -229.61 -166.778 -132.769 32.8455 -44.1935 -235.901 69.6286 40.8187 PRESSAVG: 4155000 44.7091 -25.9169 10.5627 -25.9168 -2.25642 -0.840921 10.5627 -0.840991 -17.3274 GPRESSAVG: 4155000 44.1829 -26.3718 10.0692 -25.8725 -1.8744 -2.71306 11.1268 -1.41132 -16.8586 TIMING: 4155000 CPU: 12491, 0.00295625/step Wall: 12491, 0.00295625/step, 0.693897 hours remaining, 211.281250 MB of memory in use. ENERGY: 4155000 756.8937 2129.7016 1924.4249 114.0412 -206531.9331 17841.3968 0.0000 0.0000 34158.7239 -149606.7510 298.3166 -183765.4749 -149511.2628 298.7893 -15.7524 16.5239 556351.8148 8.3751 8.4833 PRESSURE: 4155200 57.8228 -146.161 -25.1788 -146.161 -2.93625 -36.0047 -25.1792 -36.0037 -218.932 GPRESSURE: 4155200 35.0636 -129.257 -1.71504 -151.341 48.0463 -33.9556 -66.0282 -77.7609 -157.284 PRESSAVG: 4155200 -50.8095 -18.9386 8.99208 -18.9386 19.6946 34.0679 8.99202 34.0679 2.01709 GPRESSAVG: 4155200 -50.9654 -17.6671 8.48301 -19.6431 19.0504 35.5822 8.10142 34.7986 2.6583 TIMING: 4155200 CPU: 12491.6, 0.00293433/step Wall: 12491.6, 0.00293433/step, 0.688589 hours remaining, 211.281250 MB of memory in use. ENERGY: 4155200 707.0641 2094.3925 1953.0795 115.8109 -206161.2239 17745.3225 0.0000 0.0000 34032.9750 -149512.5793 297.2184 -183545.5543 -149414.9826 298.3036 -54.6817 -24.7246 557506.6544 -9.6993 -9.7522 PRESSURE: 4155400 -32.0805 123.437 67.6945 123.438 111.688 -37.4489 67.6959 -37.4511 -155.372 GPRESSURE: 4155400 11.2938 139.333 52.6083 135.255 119.731 -46.7782 110.671 -43.194 -129.843 PRESSAVG: 4155400 -27.5741 13.8357 7.02085 13.8357 5.25705 -26.606 7.02077 -26.6061 -7.06864 GPRESSAVG: 4155400 -27.7101 10.4847 7.3451 14.9698 5.51859 -28.7593 8.9663 -26.402 -7.7129 TIMING: 4155400 CPU: 12492.2, 0.0029661/step Wall: 12492.2, 0.0029661/step, 0.695881 hours remaining, 211.281250 MB of memory in use. ENERGY: 4155400 739.9155 2119.6964 1917.6135 120.9958 -206340.1682 17763.6551 0.0000 0.0000 34124.4832 -149553.8085 298.0176 -183678.2918 -149457.7211 298.7762 -25.2547 0.3938 555216.3250 -9.7952 -9.9681 PRESSURE: 4155600 -2.13803 27.9123 32.0768 27.9133 44.3481 -189.245 32.0769 -189.247 -442.663 GPRESSURE: 4155600 43.7461 114.71 14.6665 13.458 84.9017 -205.565 -13.0776 -149.444 -445.152 PRESSAVG: 4155600 72.4978 45.479 42.2857 45.479 -2.29731 -35.4622 42.2858 -35.4622 -110.31 GPRESSAVG: 4155600 71.7408 45.9551 41.4976 46.8395 -1.16762 -34.157 40.1135 -37.4205 -111.071 TIMING: 4155600 CPU: 12492.8, 0.00300115/step Wall: 12492.8, 0.00300115/step, 0.703936 hours remaining, 211.281250 MB of memory in use. ENERGY: 4155600 771.0337 2117.5039 1964.5268 95.2667 -206838.0183 17838.6247 0.0000 0.0000 34312.7609 -149738.3017 299.6619 -184051.0626 -149643.0016 298.9867 -133.4844 -105.5013 556397.1336 -13.3699 -13.4994 PRESSURE: 4155800 -190.238 85.9491 7.88517 85.9474 82.3653 35.7564 7.88445 35.7574 -63.2822 GPRESSURE: 4155800 -197.102 134.653 -7.13474 35.0612 145.255 118.112 2.6526 27.2845 -12.1375 PRESSAVG: 4155800 41.216 13.126 39.0136 13.1259 6.45724 11.6302 39.0136 11.6302 20.2608 GPRESSAVG: 4155800 42.7973 16.2696 39.4912 12.1999 5.96118 11.6824 39.5316 12.1704 19.8773 TIMING: 4155800 CPU: 12493.3, 0.00298662/step Wall: 12493.3, 0.00298662/step, 0.700362 hours remaining, 211.281250 MB of memory in use. ENERGY: 4155800 775.1565 2138.2961 1934.7739 107.4533 -206694.7235 17997.1754 0.0000 0.0000 34159.8662 -149582.0022 298.3266 -183741.8684 -149495.3769 298.3722 -57.0518 -21.3281 557406.5813 22.6447 22.8786 PRESSURE: 4156000 -161.728 -15.4783 98.6074 -15.4786 85.727 26.9605 98.6079 26.9603 -28.8219 GPRESSURE: 4156000 -116.462 11.5214 0.982389 -8.75873 101.241 1.57136 113.799 18.9504 4.14685 PRESSAVG: 4156000 -78.0359 -15.2658 8.96212 -15.2659 24.2543 -22.4317 8.96211 -22.4316 27.8884 GPRESSAVG: 4156000 -79.7218 -15.0693 8.75668 -17.6425 24.5866 -21.7868 8.88325 -23.0524 29.2617 TIMING: 4156000 CPU: 12493.9, 0.00299577/step Wall: 12493.9, 0.00299577/step, 0.70234 hours remaining, 211.281250 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: 4156000 720.6464 2065.1100 1935.8488 106.2052 -206510.7286 17767.9940 0.0000 0.0000 34233.4848 -149681.4393 298.9695 -183914.9241 -149579.0508 297.5516 -34.9409 -3.6916 556187.3466 -8.6311 -8.6245 PRESSURE: 4156200 -332.981 -34.1947 -53.0357 -34.1954 -215.875 27.9677 -53.0361 27.9669 -530.552 GPRESSURE: 4156200 -347.112 -51.4703 23.3363 -18.4675 -235.274 -36.5258 -95.2372 68.105 -390.53 PRESSAVG: 4156200 9.82963 19.5951 55.2911 19.5951 8.84646 28.3192 55.2911 28.3192 -48.7646 GPRESSAVG: 4156200 10.9203 17.57 56.1919 23.0744 7.60932 30.3204 55.1763 27.5234 -48.4764 TIMING: 4156200 CPU: 12494.6, 0.0030299/step Wall: 12494.6, 0.0030299/step, 0.710175 hours remaining, 211.281250 MB of memory in use. ENERGY: 4156200 760.1240 2101.5314 1913.7101 113.4273 -205637.2958 17215.0027 0.0000 0.0000 33895.1967 -149638.3036 296.0152 -183533.5003 -149540.1776 297.5379 -359.8029 -324.3054 557090.7612 -10.0295 -9.9823 LDB: ============= START OF LOAD BALANCING ============== 12498.1 LDB: ============== END OF LOAD BALANCING =============== 12498.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12498.1 LDB: ============= START OF LOAD BALANCING ============== 12498.4 LDB: Largest compute 4773 load 0.029437 is 24.9% of average load 0.118265 LDB: Average compute 0.001735 is 1.5% of average load 0.118265 LDB: TIME 12498.4 LOAD: AVG 0.118265 MAX 0.211887 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.609 MB LDB: TIME 12498.4 LOAD: AVG 0.118265 MAX 0.211887 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.68 MB LDB: TIME 12498.4 LOAD: AVG 0.118265 MAX 0.211887 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.68 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12498.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12498.4 PRESSURE: 4156400 -81.6784 19.4059 -36.2367 19.4056 -234.433 -82.0338 -36.2361 -82.0332 -107.542 GPRESSURE: 4156400 -88.9777 2.75815 -1.85604 15.7004 -261.207 -78.3725 6.75631 -111.973 16.2418 PRESSAVG: 4156400 -20.7193 -41.8463 2.29401 -41.8464 3.55383 51.6369 2.294 51.6369 3.96053 GPRESSAVG: 4156400 -20.9033 -42.4412 3.07324 -42.8872 4.20695 51.0896 1.81357 51.6389 3.52856 TIMING: 4156400 CPU: 12495.2, 0.00306987/step Wall: 12495.2, 0.00306987/step, 0.719372 hours remaining, 210.601562 MB of memory in use. ENERGY: 4156400 770.4484 2054.3400 1921.3417 115.8385 -205952.2279 17602.5465 0.0000 0.0000 33989.1096 -149498.6034 296.8353 -183487.7130 -149406.0643 298.0211 -141.2178 -111.3143 556369.9927 -4.4016 -4.3893 PRESSURE: 4156600 223.258 54.2114 28.617 54.2103 -91.2004 32.5486 28.6177 32.5483 101.372 GPRESSURE: 4156600 261.474 95.0499 -38.2771 31.9902 -64.7961 95.0653 28.6739 27.2843 136.478 PRESSAVG: 4156600 3.6448 -7.75498 16.428 -7.75493 28.0157 -26.2227 16.428 -26.2226 -10.5934 GPRESSAVG: 4156600 2.08294 -9.85405 15.5843 -7.69188 28.2914 -28.9442 15.1442 -24.4874 -10.0433 TIMING: 4156600 CPU: 12495.8, 0.00300197/step Wall: 12495.8, 0.00300197/step, 0.703296 hours remaining, 211.062500 MB of memory in use. ENERGY: 4156600 731.4748 2088.7768 1926.6772 116.0522 -206428.5174 17861.0348 0.0000 0.0000 34184.3895 -149520.1121 298.5408 -183704.5016 -149422.1650 298.8033 77.8101 111.0519 557197.9394 7.0224 6.7770 PRESSURE: 4156800 112.7 -102.939 -90.0423 -102.939 -21.0824 -47.4408 -90.0415 -47.4406 173.423 GPRESSURE: 4156800 138.62 -71.0432 -103.573 -159.641 55.4633 -64.2614 -91.6112 -72.7607 154.233 PRESSAVG: 4156800 -3.88589 -9.37857 -7.85612 -9.37856 8.87531 -8.51863 -7.85603 -8.51869 -21.2862 GPRESSAVG: 4156800 -2.94486 -5.81528 -7.64062 -10.5018 9.5564 -5.11531 -7.93218 -9.73536 -23.1046 TIMING: 4156800 CPU: 12496.4, 0.00294639/step Wall: 12496.4, 0.00294639/step, 0.690109 hours remaining, 211.324219 MB of memory in use. ENERGY: 4156800 722.4419 2085.9180 1929.6272 105.0329 -206478.0290 17914.1983 0.0000 0.0000 34191.6500 -149529.1608 298.6042 -183720.8108 -149435.8666 298.4913 88.3468 116.1054 556270.1278 -5.4323 -5.4977 PRESSURE: 4157000 434.884 49.3394 -94.8279 49.3404 37.1101 3.64851 -94.8275 3.65098 203.175 GPRESSURE: 4157000 418.754 107.513 -71.627 23.5913 115.707 -25.3801 -116.05 -27.6185 238.75 PRESSAVG: 4157000 98.5859 13.7294 45.2816 13.7294 -33.9094 19.155 45.2816 19.155 -60.7883 GPRESSAVG: 4157000 97.2886 13.6133 47.2407 12.3238 -34.5812 16.9438 46.5009 18.986 -59.736 TIMING: 4157000 CPU: 12497, 0.00297717/step Wall: 12497, 0.00297717/step, 0.697154 hours remaining, 211.335938 MB of memory in use. ENERGY: 4157000 724.8821 2023.2938 1925.7153 101.0881 -206820.4010 18256.3922 0.0000 0.0000 34177.0590 -149611.9705 298.4768 -183789.0295 -149523.0642 298.0948 225.0564 257.7373 556874.6608 1.2961 0.9905 PRESSURE: 4157200 -228.363 -149.119 -160.29 -149.119 -120.852 6.05383 -160.29 6.05464 -286.226 GPRESSURE: 4157200 -174.948 -112.317 -160.43 -154.325 -136.177 62.0077 -125.127 -1.30662 -223.127 PRESSAVG: 4157200 63.9736 -4.06872 -6.0772 -4.0688 -6.43896 46.8365 -6.0772 46.8366 -83.3471 GPRESSAVG: 4157200 64.8374 -6.48553 -8.30528 -0.355054 -7.77774 47.8439 -5.40995 47.0367 -82.6583 TIMING: 4157200 CPU: 12497.5, 0.00296289/step Wall: 12497.5, 0.00296289/step, 0.693646 hours remaining, 211.335938 MB of memory in use. ENERGY: 4157200 743.9036 2076.4748 1945.4066 106.7622 -205997.8235 17623.9133 0.0000 0.0000 34017.2417 -149484.1212 297.0810 -183501.3630 -149384.6309 298.4452 -211.8135 -178.0838 557641.3846 -8.6042 -8.5329 PRESSURE: 4157400 -78.9095 13.4842 -53.5741 13.4835 -68.3273 -116.844 -53.5749 -116.845 -2.35581 GPRESSURE: 4157400 -36.0145 -40.3811 -55.5454 69.8054 2.937 -41.8766 -87.1253 -62.0789 -11.3577 PRESSAVG: 4157400 52.0588 25.6753 -53.7949 25.6753 -28.2924 -3.55008 -53.7949 -3.55008 -11.5658 GPRESSAVG: 4157400 52.4042 26.1047 -54.657 23.7764 -27.124 -4.60662 -54.2163 -2.45007 -12.9912 TIMING: 4157400 CPU: 12498.1, 0.00295419/step Wall: 12498.1, 0.00295419/step, 0.691444 hours remaining, 211.335938 MB of memory in use. ENERGY: 4157400 783.8852 2002.2740 1962.7218 111.3708 -206416.7062 17804.4435 0.0000 0.0000 34359.6685 -149392.3423 300.0715 -183752.0108 -149290.2741 298.9537 -49.8642 -14.8117 557667.8119 4.0669 4.0963 PRESSURE: 4157600 -69.087 97.309 -18.6523 97.3076 -130.757 -10.3108 -18.652 -10.3104 -95.8386 GPRESSURE: 4157600 -25.7608 31.2519 -41.4212 99.5873 -70.243 3.18403 -78.5335 -7.41601 -96.6706 PRESSAVG: 4157600 57.134 40.4029 -24.9487 40.4031 4.53954 10.9337 -24.9488 10.9335 -45.061 GPRESSAVG: 4157600 58.1766 42.1795 -23.5124 39.2723 3.72405 10.0792 -24.8479 11.7784 -45.2807 TIMING: 4157600 CPU: 12498.7, 0.00296667/step Wall: 12498.7, 0.00296667/step, 0.694201 hours remaining, 211.335938 MB of memory in use. ENERGY: 4157600 717.0521 2078.9421 1945.6086 112.0487 -206078.5886 17659.1891 0.0000 0.0000 34299.7174 -149266.0307 299.5480 -183565.7481 -149174.6556 299.4776 -98.5608 -64.2248 558489.2177 5.5375 5.5400 PRESSURE: 4157800 -267.981 -116.71 30.8259 -116.71 48.772 -41.9411 30.826 -41.9399 -137.542 GPRESSURE: 4157800 -237.335 -48.698 24.6106 -146.696 33.7898 -111.721 95.083 15.3224 -47.9173 PRESSAVG: 4157800 -12.4571 -5.73476 48.4056 -5.73485 -17.0511 -9.69296 48.4055 -9.69298 -32.5192 GPRESSAVG: 4157800 -14.186 -5.89595 47.4132 -6.52835 -17.3053 -8.39429 46.8811 -11.3077 -30.5069 TIMING: 4157800 CPU: 12499.3, 0.00302642/step Wall: 12499.3, 0.00302642/step, 0.708015 hours remaining, 211.335938 MB of memory in use. ENERGY: 4157800 752.3141 2116.8948 1913.5141 111.6095 -205941.3808 17657.3768 0.0000 0.0000 34152.1681 -149237.5035 298.2594 -183389.6716 -149141.5466 299.1439 -118.9168 -83.8209 558750.3907 -20.6758 -20.6661 PRESSURE: 4158000 251.16 -45.3966 67.0539 -45.3964 -142.746 -194.032 67.0535 -194.033 -162.631 GPRESSURE: 4158000 291.93 -8.15291 3.52594 -11.4288 -86.921 -173.946 88.2082 -229.801 -164.604 PRESSAVG: 4158000 35.5038 -2.08124 15.9452 -2.08121 26.6753 -13.2732 15.9452 -13.2733 -46.6023 GPRESSAVG: 4158000 36.9018 -4.09937 16.7838 0.00404512 26.1409 -12.9942 19.119 -14.9391 -47.4198 TIMING: 4158000 CPU: 12499.9, 0.00303515/step Wall: 12499.9, 0.00303515/step, 0.709889 hours remaining, 211.335938 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: 4158000 769.9582 2084.2732 1958.2617 118.3237 -206577.0331 18158.4977 0.0000 0.0000 34383.8582 -149103.8605 300.2828 -183487.7187 -149012.6052 299.2387 -18.0725 13.4685 558007.8129 5.1923 5.2076 PRESSURE: 4158200 231.786 -87.4005 -81.9995 -87.4006 -24.5435 -107.743 -82.0001 -107.744 198.056 GPRESSURE: 4158200 276.784 -80.1376 -86.1605 -97.348 -4.85488 -46.7079 -77.3078 -112.268 228.889 PRESSAVG: 4158200 32.7983 -41.7343 -57.3591 -41.7344 17.5404 10.3429 -57.3591 10.3428 -51.6364 GPRESSAVG: 4158200 31.8387 -40.8608 -56.5783 -41.5353 18.6083 8.35964 -59.756 12.6594 -51.3237 TIMING: 4158200 CPU: 12500.5, 0.00302246/step Wall: 12500.5, 0.00302246/step, 0.706751 hours remaining, 211.335938 MB of memory in use. ENERGY: 4158200 760.6083 2060.1745 1919.2822 105.3440 -206624.9734 18211.7249 0.0000 0.0000 34273.5713 -149294.2682 299.3196 -183567.8394 -149203.6995 299.6579 135.0997 166.9394 557157.1012 -0.4325 -0.2922 PRESSURE: 4158400 28.7495 -38.6027 -91.6147 -38.6032 233.185 -84.4512 -91.6152 -84.45 -43.7253 GPRESSURE: 4158400 129.848 -44.2828 -154.919 -5.40555 145.465 -86.4891 -87.3835 -79.1917 46.7569 PRESSAVG: 4158400 28.9618 -58.759 -45.2766 -58.759 2.88419 41.6086 -45.2767 41.6086 -18.5185 GPRESSAVG: 4158400 29.8833 -59.9498 -47.065 -57.387 2.26168 40.9809 -41.8177 42.3818 -18.3594 TIMING: 4158400 CPU: 12501.1, 0.00297677/step Wall: 12501.1, 0.00297677/step, 0.695902 hours remaining, 211.335938 MB of memory in use. ENERGY: 4158400 717.6909 2142.1055 1957.0715 120.7975 -206378.2591 17874.6676 0.0000 0.0000 34218.0157 -149347.9104 298.8344 -183565.9261 -149243.7892 299.9088 72.7365 107.3565 558183.0993 4.4425 4.5952 PRESSURE: 4158600 -153.018 -30.9299 117.852 -30.9305 -254.41 187.655 117.852 187.655 -543.485 GPRESSURE: 4158600 -132.268 -22.7122 137.794 23.0704 -230.941 220.287 43.8415 162.439 -484.359 PRESSAVG: 4158600 63.1728 -5.86728 -12.9197 -5.86734 -32.8663 -40.1359 -12.9198 -40.136 -37.4353 GPRESSAVG: 4158600 62.4563 -4.79582 -12.5179 -8.3031 -32.8975 -38.4728 -15.4871 -41.9011 -36.8777 TIMING: 4158600 CPU: 12501.7, 0.00296314/step Wall: 12501.7, 0.00296314/step, 0.692552 hours remaining, 211.335938 MB of memory in use. ENERGY: 4158600 792.5570 2167.8547 1941.3893 113.4454 -205924.2473 17548.0631 0.0000 0.0000 34291.6167 -149069.3209 299.4772 -183360.9376 -148973.7056 299.5972 -316.9710 -282.5228 559270.5824 -2.3762 -2.4396 PRESSURE: 4158800 -126.093 -128.005 -32.2303 -128.006 -48.9065 -83.2421 -32.2301 -83.2429 -380.093 GPRESSURE: 4158800 -63.4357 -94.0874 -98.0112 -161.589 -57.6024 -101.282 49.6796 -92.6692 -314.123 PRESSAVG: 4158800 16.713 -6.23526 -3.51269 -6.23524 -43.0246 9.20404 -3.51274 9.20402 20.8112 GPRESSAVG: 4158800 17.3019 -5.52992 -4.28089 -6.51411 -43.8452 7.72516 -2.10331 11.4642 20.3595 TIMING: 4158800 CPU: 12502.3, 0.00294224/step Wall: 12502.3, 0.00294224/step, 0.687503 hours remaining, 211.335938 MB of memory in use. ENERGY: 4158800 718.6549 2115.2342 1947.7929 124.0938 -205770.1709 17477.4836 0.0000 0.0000 34227.5745 -149159.3369 298.9179 -183386.9114 -149063.5644 299.6293 -185.0307 -145.0539 557383.2230 -1.8335 -2.0613 PRESSURE: 4159000 -95.2523 -31.3989 38.0897 -31.3996 170.287 -11.0923 38.0906 -11.0911 -247.757 GPRESSURE: 4159000 -82.9952 40.382 23.6681 -27.9443 222.262 -112.837 34.0171 -5.88315 -220.626 PRESSAVG: 4159000 5.50415 -3.91303 22.1219 -3.91299 17.7171 11.5142 22.1219 11.5141 -49.7531 GPRESSAVG: 4159000 4.53242 -2.85673 21.6636 -4.10432 17.5428 12.8259 21.7144 11.1499 -48.2977 TIMING: 4159000 CPU: 12502.9, 0.0029417/step Wall: 12502.9, 0.0029417/step, 0.687214 hours remaining, 211.335938 MB of memory in use. ENERGY: 4159000 735.2618 2052.9576 1979.8277 111.0703 -205966.0652 17701.8995 0.0000 0.0000 34310.4844 -149074.5640 299.6420 -183385.0483 -148982.7507 299.3492 -57.5740 -27.1199 557290.7697 -8.8440 -8.7408 PRESSURE: 4159200 80.4398 55.2738 -47.8834 55.2744 -106.654 76.1961 -47.8845 76.1954 -48.666 GPRESSURE: 4159200 64.8295 93.7014 -55.1753 -52.4901 -95.2378 170.485 -102.686 57.3986 63.4318 PRESSAVG: 4159200 26.6821 -12.1278 9.39701 -12.1278 35.2908 -9.64535 9.39697 -9.64545 -31.6008 GPRESSAVG: 4159200 28.6094 -13.6814 9.75552 -11.3927 34.5657 -9.13777 10.0574 -10.0093 -32.6204 TIMING: 4159200 CPU: 12503.5, 0.00297174/step Wall: 12503.5, 0.00297174/step, 0.694066 hours remaining, 211.335938 MB of memory in use. ENERGY: 4159200 760.9787 2085.7320 1894.3148 113.2261 -206150.8585 17711.8177 0.0000 0.0000 34416.9658 -149167.8234 300.5719 -183584.7892 -149062.2789 300.0051 -24.9599 11.0078 556760.3773 10.1240 10.1849 PRESSURE: 4159400 -138.962 26.5273 236.698 26.5272 -258.477 22.8752 236.698 22.8755 121.928 GPRESSURE: 4159400 -143.41 -43.7349 273.49 86.7359 -216.719 7.91956 218.147 16.0068 185.859 PRESSAVG: 4159400 -53.8473 7.40175 -35.0923 7.40174 37.9485 -3.86326 -35.0923 -3.86326 16.3867 GPRESSAVG: 4159400 -56.0304 8.84658 -35.6588 6.66698 39.1588 -4.20893 -37.4214 -3.91361 17.0391 TIMING: 4159400 CPU: 12504.1, 0.00296324/step Wall: 12504.1, 0.00296324/step, 0.691916 hours remaining, 211.335938 MB of memory in use. ENERGY: 4159400 758.0847 2050.7623 1938.4784 104.9079 -205884.4054 17596.9368 0.0000 0.0000 34208.1985 -149227.0367 298.7487 -183435.2352 -149125.9944 299.1595 -91.8367 -58.0898 558241.0970 0.1626 0.0558 PRESSURE: 4159600 -394.759 17.6727 -214.571 17.6706 -43.7285 -61.6681 -214.572 -61.6682 -236.932 GPRESSURE: 4159600 -323.36 57.5244 -160.497 57.7062 -61.4935 -55.3525 -163.449 -85.8599 -184.216 PRESSAVG: 4159600 -0.297719 11.2112 44.8064 11.2112 25.753 -7.58043 44.8065 -7.58045 -16.2169 GPRESSAVG: 4159600 1.98891 10.7773 45.8172 12.8247 23.8101 -7.2282 45.7209 -8.34215 -16.9128 TIMING: 4159600 CPU: 12504.7, 0.00295378/step Wall: 12504.7, 0.00295378/step, 0.689543 hours remaining, 211.335938 MB of memory in use. ENERGY: 4159600 779.4992 2095.3549 1947.1205 121.4506 -205751.6289 17348.1397 0.0000 0.0000 34379.7856 -149080.2784 300.2472 -183460.0640 -148981.9732 299.4978 -225.1399 -189.6896 557604.1939 3.0794 2.9621 PRESSURE: 4159800 -17.2791 -153.868 193.497 -153.869 1.28763 -210.481 193.497 -210.482 -34.0606 GPRESSURE: 4159800 26.1513 -161.165 169.65 -194.157 0.856914 -260.252 189.775 -190.335 16.6209 PRESSAVG: 4159800 -34.9653 3.66573 -11.465 3.66568 87.7268 -25.4734 -11.4651 -25.4734 -4.03371 GPRESSAVG: 4159800 -35.6508 1.90041 -12.8293 4.69477 87.6189 -27.3679 -9.87618 -24.7461 -2.8571 TIMING: 4159800 CPU: 12505.3, 0.00298114/step Wall: 12505.3, 0.00298114/step, 0.695765 hours remaining, 211.335938 MB of memory in use. ENERGY: 4159800 806.8819 2108.5148 1930.6206 121.1674 -206719.8237 17986.7946 0.0000 0.0000 34447.8402 -149318.0042 300.8416 -183765.8444 -149223.5209 300.1472 -16.6840 14.5430 556679.5633 16.2426 16.3703 PRESSURE: 4160000 3.98799 -152.07 46.4948 -152.068 286.417 116.161 46.4945 116.161 198.812 GPRESSURE: 4160000 97.8136 -190.756 5.18396 -114.738 308.795 -21.2765 42.2743 155.454 185.386 PRESSAVG: 4160000 -69.2005 -56.9361 10.6102 -56.9361 23.3256 -25.5323 10.6101 -25.5323 13.439 GPRESSAVG: 4160000 -68.7303 -55.6035 11.1053 -58.5702 23.6753 -25.5439 10.715 -28.1362 12.2201 TIMING: 4160000 CPU: 12505.9, 0.00297325/step Wall: 12505.9, 0.00297325/step, 0.693757 hours remaining, 211.335938 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: 4160000 766.4183 2112.0268 1953.3116 104.3992 -206591.9265 18174.6858 0.0000 0.0000 34319.0627 -149162.0220 299.7169 -183481.0847 -149072.0376 299.5450 163.0725 197.3315 556186.8625 -10.8120 -10.9449 PRESSURE: 4160200 177.714 -48.0343 177.694 -48.0338 19.6748 -15.4023 177.693 -15.4018 -74.5817 GPRESSURE: 4160200 203.657 -8.24398 168.403 3.20951 60.7754 16.8144 188.757 -48.9748 -37.6673 PRESSAVG: 4160200 -5.50844 -33.7124 101.785 -33.7125 -24.6206 -79.6686 101.785 -79.6687 40.2593 GPRESSAVG: 4160200 -5.73603 -31.6694 103.585 -34.2609 -24.0153 -78.8293 99.1573 -76.5836 39.85 TIMING: 4160200 CPU: 12506.5, 0.00297098/step Wall: 12506.5, 0.00297098/step, 0.693063 hours remaining, 211.335938 MB of memory in use. ENERGY: 4160200 765.9176 2070.7978 1943.4365 114.0367 -206165.4571 17889.6051 0.0000 0.0000 34156.7357 -149224.9276 298.2993 -183381.6634 -149125.3437 300.1224 40.9358 75.5885 557531.9673 3.3768 3.3662 LDB: ============= START OF LOAD BALANCING ============== 12510 LDB: ============== END OF LOAD BALANCING =============== 12510 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12510 LDB: ============= START OF LOAD BALANCING ============== 12510.3 LDB: Largest compute 4802 load 0.030089 is 25.5% of average load 0.118219 LDB: Average compute 0.001728 is 1.5% of average load 0.118219 LDB: TIME 12510.3 LOAD: AVG 0.118219 MAX 0.211536 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.156 MB LDB: TIME 12510.3 LOAD: AVG 0.118219 MAX 0.211536 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.156 MB LDB: TIME 12510.3 LOAD: AVG 0.118219 MAX 0.211536 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.156 MB LDB: ============== END OF LOAD BALANCING =============== 12510.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12510.3 PRESSURE: 4160400 22.1986 24.4231 231.168 24.4229 16.1131 -5.78779 231.168 -5.78718 -97.4309 GPRESSURE: 4160400 90.8151 51.7278 235.2 10.1553 42.3857 2.72429 283.909 37.9155 -98.0238 PRESSAVG: 4160400 -5.52895 -2.71111 34.8608 -2.71112 -29.9824 0.532129 34.8609 0.532136 21.069 GPRESSAVG: 4160400 -5.10286 -5.3326 32.9173 -2.60729 -30.27 1.72871 37.2673 -1.49504 21.2954 TIMING: 4160400 CPU: 12507.1, 0.0030302/step Wall: 12507.1, 0.0030302/step, 0.706711 hours remaining, 210.242188 MB of memory in use. ENERGY: 4160400 741.9810 2113.0067 1939.3048 99.9690 -206443.5250 17854.3087 0.0000 0.0000 34272.1458 -149422.8090 299.3072 -183694.9547 -149332.3959 299.1088 -19.7064 11.7257 555891.9139 -4.8141 -4.6925 PRESSURE: 4160600 146.895 -193.859 -111.498 -193.858 -81.2503 -9.008 -111.499 -9.00736 -287.844 GPRESSURE: 4160600 130.312 -137.15 -126.658 -248.475 -69.9553 -17.8235 -134.848 26.3949 -186.957 PRESSAVG: 4160600 -42.4934 -15.3667 -6.66149 -15.3668 33.0267 -76.6444 -6.66158 -76.6444 26.8204 GPRESSAVG: 4160600 -43.0439 -14.2112 -5.83723 -15.0733 33.2312 -79.0739 -7.88043 -73.2437 27.4028 TIMING: 4160600 CPU: 12507.7, 0.00297597/step Wall: 12507.7, 0.00297597/step, 0.693898 hours remaining, 210.351562 MB of memory in use. ENERGY: 4160600 771.9485 2062.7791 1946.5540 116.5329 -206460.3232 17805.1979 0.0000 0.0000 34398.7631 -149358.5477 300.4130 -183757.3108 -149263.7800 299.1085 -74.0665 -42.2001 556956.1807 5.7846 5.8634 PRESSURE: 4160800 214.61 70.1371 -223.098 70.1367 383.611 -83.721 -223.099 -83.7187 109.374 GPRESSURE: 4160800 194.013 163.41 -228.447 37.3995 427.281 -138.138 -113.065 -95.6162 185.683 PRESSAVG: 4160800 36.1748 21.4494 -36.5422 21.4494 -26.0776 9.8964 -36.5421 9.89646 20.2685 GPRESSAVG: 4160800 37.2901 22.2492 -38.9659 22.324 -26.2943 11.2429 -34.32 7.51223 19.2881 TIMING: 4160800 CPU: 12508.3, 0.00297125/step Wall: 12508.3, 0.00297125/step, 0.692632 hours remaining, 210.351562 MB of memory in use. ENERGY: 4160800 739.7589 2107.2588 1969.6922 103.9806 -206414.9114 17945.2648 0.0000 0.0000 34372.6946 -149176.2614 300.1853 -183548.9561 -149083.0906 299.9739 235.8651 268.9924 555796.8328 10.1219 10.0946 PRESSURE: 4161000 -25.7558 -194.872 105.783 -194.872 -241.423 62.1435 105.784 62.1412 -354.453 GPRESSURE: 4161000 9.45234 -274.355 105.921 -181.826 -219.243 69.6019 98.581 98.9365 -312.643 PRESSAVG: 4161000 25.3834 -42.6608 -67.3711 -42.6608 -32.7739 -28.3388 -67.3711 -28.3388 18.3149 GPRESSAVG: 4161000 24.771 -44.4252 -64.857 -44.939 -33.3394 -27.3505 -69.8736 -29.2452 18.9399 TIMING: 4161000 CPU: 12508.9, 0.00298284/step Wall: 12508.9, 0.00298284/step, 0.695167 hours remaining, 210.351562 MB of memory in use. ENERGY: 4161000 741.1744 2112.9055 1954.9567 106.3416 -205816.7357 17456.5702 0.0000 0.0000 34301.8459 -149142.9414 299.5666 -183444.7872 -149054.4128 300.3379 -207.2105 -174.1444 556792.5186 3.6415 3.4572 PRESSURE: 4161200 -57.0375 -24.5989 -35.2482 -24.5985 43.3427 91.9147 -35.249 91.9144 212.671 GPRESSURE: 4161200 -8.60811 -28.3356 -96.0817 7.44787 116.255 75.7926 58.701 100.706 203.448 PRESSAVG: 4161200 0.345292 -4.75091 0.492636 -4.75086 17.1625 -43.6147 0.492746 -43.6148 -23.2513 GPRESSAVG: 4161200 0.247456 -1.85755 -0.337567 -5.14706 17.1292 -45.1731 -0.0819998 -43.9658 -23.309 TIMING: 4161200 CPU: 12509.5, 0.00297881/step Wall: 12509.5, 0.00297881/step, 0.694063 hours remaining, 210.617188 MB of memory in use. ENERGY: 4161200 742.0648 2085.3968 1950.2095 122.5326 -206611.1275 18101.7925 0.0000 0.0000 34242.9536 -149366.1777 299.0522 -183609.1314 -149264.3560 299.8809 66.3253 103.6983 555118.3002 -1.9145 -1.9774 PRESSURE: 4161400 43.196 -91.0781 -116.534 -91.0766 -161.514 1.93415 -116.534 1.93309 12.7747 GPRESSURE: 4161400 57.2313 -117.568 -169.115 -89.6634 -118.669 14.0715 -68.5512 -5.87386 44.4108 PRESSAVG: 4161400 -69.6178 -6.52554 -37.3509 -6.52558 31.4951 -18.4851 -37.3509 -18.485 21.6518 GPRESSAVG: 4161400 -68.4588 -10.1333 -37.7254 -3.46245 31.9089 -18.3338 -37.0372 -15.6616 20.3064 TIMING: 4161400 CPU: 12510.1, 0.0029766/step Wall: 12510.1, 0.0029766/step, 0.693383 hours remaining, 210.617188 MB of memory in use. ENERGY: 4161400 754.3312 2083.0026 1951.1997 104.8774 -206416.9022 17843.0451 0.0000 0.0000 34288.4168 -149392.0294 299.4493 -183680.4462 -149298.4662 300.0199 -35.1812 -5.6755 558184.4174 -5.4903 -5.4145 PRESSURE: 4161600 91.8103 105.668 82.4188 105.668 -167.813 19.4015 82.4195 19.3995 -295.299 GPRESSURE: 4161600 174.276 4.76236 112.969 176.088 -168.525 75.8038 113.436 -0.668577 -275.11 PRESSAVG: 4161600 31.8248 15.1569 25.6062 15.1569 -24.2532 -21.4247 25.6063 -21.4248 -18.9176 GPRESSAVG: 4161600 31.1011 16.6881 27.933 13.5814 -23.9184 -20.1449 24.1875 -23.7977 -18.636 TIMING: 4161600 CPU: 12510.7, 0.00296788/step Wall: 12510.7, 0.00296788/step, 0.691187 hours remaining, 210.617188 MB of memory in use. ENERGY: 4161600 784.0822 2078.9475 1923.8121 117.7349 -206575.2457 17824.1601 0.0000 0.0000 34474.1276 -149372.3813 301.0711 -183846.5089 -149269.9424 299.6357 -123.7674 -89.7863 557263.7951 -3.7820 -3.8178 PRESSURE: 4161800 -18.7891 -25.2749 129.565 -25.2738 279.493 -219.721 129.565 -219.721 -56.3019 GPRESSURE: 4161800 -3.11775 -49.0413 58.6457 -10.891 322.146 -238.281 141.648 -134.733 -15.5993 PRESSAVG: 4161800 -0.987457 108.929 19.2745 108.929 -52.1909 -34.5418 19.2745 -34.542 44.4437 GPRESSAVG: 4161800 0.807619 107.814 16.3282 108.443 -53.368 -34.0821 21.4434 -32.7442 44.0656 TIMING: 4161800 CPU: 12511.2, 0.00298675/step Wall: 12511.2, 0.00298675/step, 0.695414 hours remaining, 210.617188 MB of memory in use. ENERGY: 4161800 788.7824 2132.9966 1924.9872 111.7445 -206357.3283 17989.4545 0.0000 0.0000 34109.9784 -149299.3848 297.8909 -183409.3632 -149204.2546 299.1924 68.1339 101.1429 557438.7239 -2.9116 -2.8316 PRESSURE: 4162000 205.232 -42.3841 -71.1259 -42.3847 236.646 -115.736 -71.1258 -115.737 149.878 GPRESSURE: 4162000 274.047 -69.8584 -102.645 28.5683 266.53 -70.989 -44.9481 -110.585 156.546 PRESSAVG: 4162000 -18.2985 -6.12725 -22.7053 -6.12725 38.3516 -17.21 -22.7053 -17.2101 -4.9598 GPRESSAVG: 4162000 -19.5331 -5.13012 -19.7174 -5.71469 38.7307 -19.7227 -24.4546 -16.3715 -4.24978 TIMING: 4162000 CPU: 12511.8, 0.00295775/step Wall: 12511.8, 0.00295775/step, 0.688498 hours remaining, 210.617188 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: 4162000 738.6607 2136.5150 1946.5362 110.6305 -206550.9767 18108.2453 0.0000 0.0000 34425.6411 -149084.7478 300.6477 -183510.3890 -148992.5380 299.5848 197.2522 232.3744 557501.1091 5.0311 4.9826 PRESSURE: 4162200 -154.04 136.163 -134.215 136.162 -155.001 -165.748 -134.215 -165.748 -236.033 GPRESSURE: 4162200 -156.975 42.4829 -62.083 165.909 -64.4107 -87.9891 -143.426 -301.739 -225.422 PRESSAVG: 4162200 39.3248 -1.98346 -16.5958 -1.9835 -32.356 0.437811 -16.5957 0.437769 8.09611 GPRESSAVG: 4162200 39.4817 -1.72665 -16.5408 -3.36067 -32.8623 -0.842148 -14.6118 -2.32071 7.7851 TIMING: 4162200 CPU: 12512.4, 0.00296857/step Wall: 12512.4, 0.00296857/step, 0.690853 hours remaining, 210.617188 MB of memory in use. ENERGY: 4162200 792.9929 2119.6622 1924.2377 113.8195 -205900.8147 17651.5548 0.0000 0.0000 34149.7799 -149148.7676 298.2385 -183298.5475 -149050.9423 300.1612 -181.6912 -148.9360 557297.9184 5.0216 4.8015 PRESSURE: 4162400 52.8295 122.145 127.974 122.145 126.746 109.908 127.973 109.909 91.5463 GPRESSURE: 4162400 100.119 72.6538 108.842 78.3455 144.738 156.087 118.811 87.7699 115.87 PRESSAVG: 4162400 64.1673 6.40518 0.454893 6.40522 17.9852 -0.265234 0.454828 -0.265178 -46.9771 GPRESSAVG: 4162400 64.8367 4.56383 -5.68238 8.25329 18.2674 2.73953 1.33113 0.256181 -47.2807 TIMING: 4162400 CPU: 12513, 0.00295659/step Wall: 12513, 0.00295659/step, 0.687899 hours remaining, 210.617188 MB of memory in use. ENERGY: 4162400 763.7831 2119.8996 1935.1626 97.5497 -206419.9950 17772.3999 0.0000 0.0000 34451.6116 -149279.5885 300.8745 -183731.2001 -149185.1717 299.7516 90.3740 120.2423 555025.1774 11.7251 11.9411 PRESSURE: 4162600 -50.7785 -158.088 -76.8794 -158.089 -193.97 -140.521 -76.8793 -140.52 -122.023 GPRESSURE: 4162600 -6.51127 -159.903 -108.88 -120.453 -119.598 -48.4748 -29.3968 -189.877 -129.806 PRESSAVG: 4162600 72.7609 2.89979 68.0522 2.89985 -23.205 -22.0911 68.0522 -22.0911 -22.8885 GPRESSAVG: 4162600 72.4022 2.97706 71.314 1.91865 -22.3907 -21.9116 67.599 -22.7834 -22.5794 TIMING: 4162600 CPU: 12513.6, 0.0029791/step Wall: 12513.6, 0.0029791/step, 0.692972 hours remaining, 210.617188 MB of memory in use. ENERGY: 4162600 763.0022 2087.1061 1955.2058 123.5171 -206134.4033 17781.6995 0.0000 0.0000 34411.2150 -149012.6576 300.5217 -183423.8726 -148916.8416 299.3580 -122.2570 -85.3049 557548.4336 8.8891 9.1440 PRESSURE: 4162800 62.8706 -87.5517 -13.0784 -87.5524 -7.19961 27.5591 -13.0795 27.5585 167.908 GPRESSURE: 4162800 87.8241 -131.814 30.4346 3.60907 92.3242 10.0009 -100.06 36.878 149.465 PRESSAVG: 4162800 12.541 29.4858 -30.0634 29.4857 -73.8837 17.671 -30.0634 17.671 -7.8098 GPRESSAVG: 4162800 11.7712 30.7433 -30.5401 29.1232 -73.6714 16.5357 -30.6856 17.4232 -7.58787 TIMING: 4162800 CPU: 12514.2, 0.00296032/step Wall: 12514.2, 0.00296032/step, 0.688439 hours remaining, 210.617188 MB of memory in use. ENERGY: 4162800 773.3363 2113.0791 1944.3469 102.5771 -206271.5215 17974.2078 0.0000 0.0000 34411.6430 -148952.3314 300.5254 -183363.9744 -148862.6662 299.5575 74.5262 109.8711 557236.3357 -23.0508 -23.1627 PRESSURE: 4163000 167.696 60.7268 -45.3398 60.7258 157.747 -21.8515 -45.3401 -21.8493 -233.802 GPRESSURE: 4163000 153.141 29.0008 -54.3042 38.7574 214.826 -54.6351 18.382 -10.9044 -182.087 PRESSAVG: 4163000 72.9467 18.2646 -52.8413 18.2647 -12.818 4.61098 -52.8413 4.61101 -25.5275 GPRESSAVG: 4163000 73.3727 17.641 -50.7587 19.7592 -12.9556 2.35754 -52.3491 7.71193 -25.5413 TIMING: 4163000 CPU: 12514.8, 0.00296102/step Wall: 12514.8, 0.00296102/step, 0.688436 hours remaining, 210.617188 MB of memory in use. ENERGY: 4163000 775.7820 2102.5866 1927.3650 110.4019 -206009.4948 17860.6830 0.0000 0.0000 34264.7957 -148967.8804 299.2430 -183232.6761 -148870.6313 300.0747 30.5466 61.9604 557663.1904 11.5337 11.6253 PRESSURE: 4163200 -69.4481 98.5943 -22.7255 98.5936 -148.866 -69.0672 -22.7255 -69.068 -255.155 GPRESSURE: 4163200 1.83739 100.44 69.063 81.0649 -165.561 -7.79497 -91.3791 -115.147 -215.796 PRESSAVG: 4163200 -16.1785 -21.1533 -7.50108 -21.1533 70.299 32.3146 -7.50099 32.3146 5.85266 GPRESSAVG: 4163200 -15.7916 -21.6272 -7.13423 -22.1772 69.7462 34.5475 -9.34249 29.5721 6.29721 TIMING: 4163200 CPU: 12515.4, 0.00295558/step Wall: 12515.4, 0.00295558/step, 0.687008 hours remaining, 210.617188 MB of memory in use. ENERGY: 4163200 738.8938 2154.0942 1936.7628 118.4940 -205656.0029 17549.7010 0.0000 0.0000 34377.6363 -148780.4206 300.2284 -183158.0570 -148675.6629 301.0119 -157.8229 -126.5065 557666.5103 19.9910 20.0839 PRESSURE: 4163400 106.415 -7.74967 22.6017 -7.74898 74.9382 -40.2986 22.6031 -40.2997 -69.018 GPRESSURE: 4163400 135.757 104.087 54.3419 -70.7385 75.3653 -21.3238 -12.3852 -83.6156 -1.97825 PRESSAVG: 4163400 -9.41611 38.7761 -24.8872 38.7761 27.7807 26.789 -24.8873 26.789 -6.36217 GPRESSAVG: 4163400 -8.59968 38.4215 -26.459 39.0953 26.7463 25.2026 -23.4993 27.8214 -6.12534 TIMING: 4163400 CPU: 12516, 0.00295641/step Wall: 12516, 0.00295641/step, 0.687036 hours remaining, 210.617188 MB of memory in use. ENERGY: 4163400 748.2660 2079.9026 1921.4574 108.8364 -206189.6949 17794.5737 0.0000 0.0000 34635.5081 -148901.1508 302.4805 -183536.6589 -148798.3673 300.5250 37.4452 69.7146 556389.1383 4.0008 4.0071 PRESSURE: 4163600 59.7016 28.4183 24.4767 28.4184 150.034 -35.9204 24.4762 -35.9204 140.991 GPRESSURE: 4163600 78.1487 18.1644 -45.9368 122.153 186.701 -11.264 60.8572 -17.7696 177.718 PRESSAVG: 4163600 0.335157 0.908946 -32.6007 0.908857 57.6783 28.6846 -32.6007 28.6846 -28.0089 GPRESSAVG: 4163600 0.640011 0.807499 -34.8023 1.28361 57.5522 31.0593 -29.3798 28.319 -28.8984 TIMING: 4163600 CPU: 12516.6, 0.00296536/step Wall: 12516.6, 0.00296536/step, 0.688952 hours remaining, 210.617188 MB of memory in use. ENERGY: 4163600 756.3136 2051.3928 1935.8623 108.1483 -205944.3261 17853.3514 0.0000 0.0000 34335.0928 -148904.1649 299.8569 -183239.2577 -148804.3805 300.6563 116.9087 147.5224 558567.9178 10.0015 9.7646 PRESSURE: 4163800 232.124 113.917 -73.556 113.918 159.098 -30.4418 -73.5553 -30.4429 120.384 GPRESSURE: 4163800 304.293 100.148 -103.275 100.036 188.446 67.2787 -14.7043 -66.5498 117.904 PRESSAVG: 4163800 7.60147 -42.1393 12.8257 -42.1392 18.1037 16.6064 12.8257 16.6063 -27.5538 GPRESSAVG: 4163800 6.05531 -39.9519 14.5138 -43.1712 18.5654 16.2067 12.6069 15.9382 -26.3841 TIMING: 4163800 CPU: 12517.2, 0.0029866/step Wall: 12517.2, 0.0029866/step, 0.693721 hours remaining, 210.617188 MB of memory in use. ENERGY: 4163800 706.8522 2113.5355 1938.2339 109.0918 -206217.4061 17930.8499 0.0000 0.0000 34375.8680 -149042.9747 300.2130 -183418.8427 -148955.0251 299.6394 170.5356 203.5477 557323.6488 -0.6162 -0.5878 PRESSURE: 4164000 152.557 -84.5132 -138.637 -84.5137 -136.143 193.393 -138.637 193.394 -132.267 GPRESSURE: 4164000 139.775 -97.2823 -176.137 -124.066 -90.0049 234.864 -100.208 160.694 -70.335 PRESSAVG: 4164000 -6.00779 0.743738 -20.5547 0.743734 63.2103 73.786 -20.5546 73.7859 -24.7031 GPRESSAVG: 4164000 -6.45865 0.847825 -20.4765 -0.995655 63.7949 71.943 -22.0536 74.3497 -25.4504 TIMING: 4164000 CPU: 12517.8, 0.002967/step Wall: 12517.8, 0.002967/step, 0.689003 hours remaining, 210.617188 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: 4164000 709.3570 2082.3897 1940.0470 110.7406 -205959.3105 17647.7784 0.0000 0.0000 34492.2128 -148976.7851 301.2291 -183468.9979 -148875.6297 299.7931 -38.6178 -6.8549 559615.0167 10.8331 10.6286 PRESSURE: 4164200 48.7939 -15.5178 -179.938 -15.5173 64.7756 38.7956 -179.937 38.7946 98.9769 GPRESSURE: 4164200 47.7373 -105.795 -234.706 -32.1641 113.865 -24.6609 -118.271 10.3432 129.307 PRESSAVG: 4164200 -2.95417 27.2307 -21.1477 27.2306 28.8278 26.437 -21.1477 26.4369 15.2137 GPRESSAVG: 4164200 -3.73082 23.9612 -20.144 28.7556 28.7659 25.2325 -21.7039 28.174 15.7485 TIMING: 4164200 CPU: 12518.4, 0.00295104/step Wall: 12518.4, 0.00295104/step, 0.685133 hours remaining, 210.617188 MB of memory in use. ENERGY: 4164200 778.6961 2134.3521 1938.3724 112.8422 -206602.2125 18031.0808 0.0000 0.0000 34248.4745 -149358.3944 299.1004 -183606.8689 -149265.7529 299.2022 70.8488 96.9696 556706.9698 13.6958 13.5945 LDB: ============= START OF LOAD BALANCING ============== 12521.9 LDB: ============== END OF LOAD BALANCING =============== 12521.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12521.9 LDB: ============= START OF LOAD BALANCING ============== 12522.2 LDB: Largest compute 4802 load 0.030397 is 25.7% of average load 0.118196 LDB: Average compute 0.001731 is 1.5% of average load 0.118196 LDB: TIME 12522.2 LOAD: AVG 0.118196 MAX 0.207441 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.879 MB LDB: TIME 12522.2 LOAD: AVG 0.118196 MAX 0.207441 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.938 MB LDB: TIME 12522.2 LOAD: AVG 0.118196 MAX 0.207441 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.938 MB LDB: ============== END OF LOAD BALANCING =============== 12522.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12522.2 PRESSURE: 4164400 11.5477 -18.2557 2.11524 -18.256 -17.8232 85.1338 2.11596 85.1346 217.095 GPRESSURE: 4164400 16.7851 -35.2923 -48.9737 4.57665 44.4178 68.0512 2.50631 107.489 242.004 PRESSAVG: 4164400 -9.40803 -22.6369 9.67562 -22.6368 13.3066 -9.59044 9.67567 -9.59028 -0.35049 GPRESSAVG: 4164400 -8.99954 -19.2425 9.92874 -21.7307 14.2675 -7.66018 8.57942 -10.8805 -1.42541 TIMING: 4164400 CPU: 12519, 0.00303648/step Wall: 12519, 0.00303648/step, 0.7048 hours remaining, 208.625000 MB of memory in use. ENERGY: 4164400 721.9389 2057.9748 1959.8455 112.2207 -206051.1603 17787.1960 0.0000 0.0000 34134.3315 -149277.6528 298.1036 -183411.9844 -149180.4326 299.5952 70.2730 101.0689 556844.1072 1.1827 1.2809 PRESSURE: 4164600 -153.631 -13.6193 177.167 -13.6193 99.7737 184.633 177.165 184.634 2.9801 GPRESSURE: 4164600 -108.318 2.36852 29.5118 30.2825 111.43 153.532 181.507 179.665 48.9224 PRESSAVG: 4164600 -23.3971 32.3777 57.5688 32.3778 90.0139 17.3457 57.5688 17.3456 -13.8639 GPRESSAVG: 4164600 -23.1753 27.7514 56.7445 33.4697 89.1392 17.2418 58.6576 18.9248 -13.2692 TIMING: 4164600 CPU: 12519.6, 0.0029946/step Wall: 12519.6, 0.0029946/step, 0.694914 hours remaining, 208.867188 MB of memory in use. ENERGY: 4164600 741.2333 2092.6326 1925.2408 120.0386 -206461.6572 17793.4317 0.0000 0.0000 34459.5056 -149329.5746 300.9434 -183789.0802 -149226.7260 299.1123 -16.9590 17.3449 559186.9324 17.5843 17.5649 PRESSURE: 4164800 100.399 103.127 -41.1319 103.126 -60.9054 -73.0072 -41.1326 -73.0083 -83.2169 GPRESSURE: 4164800 19.2558 80.1794 11.6765 90.0188 3.38462 -36.2988 -20.8287 -101.156 22.9378 PRESSAVG: 4164800 -9.79798 31.3595 6.70898 31.3595 -9.12053 0.135867 6.70902 0.135913 -11.7279 GPRESSAVG: 4164800 -10.2069 34.0252 7.9012 29.665 -8.27847 -0.100038 7.12171 -1.45998 -12.1565 TIMING: 4164800 CPU: 12520.2, 0.00297937/step Wall: 12520.2, 0.00297937/step, 0.691214 hours remaining, 208.867188 MB of memory in use. ENERGY: 4164800 776.8813 2092.3436 1957.0772 109.5499 -206384.9730 17984.0712 0.0000 0.0000 34172.9450 -149292.1048 298.4408 -183465.0498 -149196.4801 299.4277 -14.5746 15.1928 559250.3480 -10.2155 -10.2140 PRESSURE: 4165000 -65.2235 176.969 -63.1459 176.968 -319.086 98.3287 -63.1466 98.3302 -155.93 GPRESSURE: 4165000 -8.62905 129.415 17.5351 184.181 -305.031 49.9493 -3.0481 129.4 -128.207 PRESSAVG: 4165000 -14.9632 9.01601 -1.54367 9.01592 10.4955 -7.6298 -1.54367 -7.62982 -15.648 GPRESSAVG: 4165000 -14.2353 10.8297 0.111454 9.20642 10.4591 -6.48701 -2.5604 -7.89725 -16.7983 TIMING: 4165000 CPU: 12520.8, 0.00297629/step Wall: 12520.8, 0.00297629/step, 0.690334 hours remaining, 208.867188 MB of memory in use. ENERGY: 4165000 751.4114 2137.2877 1953.9987 111.7604 -206180.4493 17606.2690 0.0000 0.0000 34194.5023 -149425.2199 298.6291 -183619.7221 -149338.4552 298.3866 -180.0796 -147.2889 557741.7856 -6.7052 -6.8582 PRESSURE: 4165200 25.9378 88.9385 213.39 88.9378 60.7975 54.4264 213.391 54.4275 37.0766 GPRESSURE: 4165200 26.6082 40.7196 245.847 42.8667 94.5392 46.4767 232.765 5.32409 96.6422 PRESSAVG: 4165200 -45.4313 -1.72383 23.4669 -1.72394 6.2078 36.6476 23.4668 36.6475 -2.63756 GPRESSAVG: 4165200 -43.6795 -4.15586 22.3943 -3.04859 4.09781 36.5632 24.0743 36.948 -2.1211 TIMING: 4165200 CPU: 12521.4, 0.00299564/step Wall: 12521.4, 0.00299564/step, 0.694656 hours remaining, 208.867188 MB of memory in use. ENERGY: 4165200 749.6121 2065.8275 1930.5523 113.3060 -206259.6387 17801.8738 0.0000 0.0000 34346.0881 -149252.3789 299.9529 -183598.4670 -149161.3646 298.1526 41.2706 72.5965 556357.4759 -13.9537 -13.9009 PRESSURE: 4165400 42.4102 -127.226 -54.6478 -127.225 -11.0147 -127.317 -54.6461 -127.317 -44.6545 GPRESSURE: 4165400 105.219 -80.1667 -6.70001 -105.723 58.6241 -81.736 -90.7852 -184.852 -83.7671 PRESSAVG: 4165400 -16.1117 9.209 6.71645 9.20904 -4.56253 22.1442 6.71645 22.1442 31.4896 GPRESSAVG: 4165400 -17.3917 8.41947 6.88072 9.7799 -3.96512 21.9089 7.14312 22.1787 32.2872 TIMING: 4165400 CPU: 12522, 0.00300744/step Wall: 12522, 0.00300744/step, 0.697226 hours remaining, 208.867188 MB of memory in use. ENERGY: 4165400 706.8160 2041.0792 1949.5729 120.5939 -206441.3630 17882.2453 0.0000 0.0000 34170.9052 -149570.1505 298.4230 -183741.0557 -149475.9369 298.4430 -4.4197 26.6919 557040.8304 3.6051 3.6435 PRESSURE: 4165600 -158.803 26.4572 -114.673 26.458 -155.675 65.0052 -114.672 65.0048 -286.87 GPRESSURE: 4165600 -63.9018 -95.3471 -125.945 102.814 -143.7 81.2384 -117.174 -11.2705 -289.783 PRESSAVG: 4165600 51.3392 10.5999 4.32606 10.5999 10.8858 11.9982 4.32613 11.9983 -52.5445 GPRESSAVG: 4165600 50.8818 11.0359 3.71395 11.82 11.8014 11.9505 5.65479 12.4937 -53.3328 TIMING: 4165600 CPU: 12522.6, 0.00301478/step Wall: 12522.6, 0.00301478/step, 0.69876 hours remaining, 208.867188 MB of memory in use. ENERGY: 4165600 747.9983 2046.1477 1968.8352 129.9452 -206032.7402 17563.7096 0.0000 0.0000 34173.2109 -149402.8933 298.4432 -183576.1042 -149303.9470 298.0434 -200.4491 -165.7951 558332.6107 3.2268 3.1168 PRESSURE: 4165800 -198.297 -14.7667 -308.047 -14.767 37.2727 -56.0034 -308.047 -56.0027 -187.057 GPRESSURE: 4165800 -201.54 -78.9968 -340.236 -22.8509 43.6074 -58.915 -230.091 -108.437 -96.3931 PRESSAVG: 4165800 39.5976 -32.154 -37.3284 -32.1539 -52.751 13.3964 -37.3283 13.3963 -37.2807 GPRESSAVG: 4165800 40.4033 -32.0896 -39.5277 -30.8018 -54.2769 12.5552 -37.5153 13.2401 -36.9032 TIMING: 4165800 CPU: 12523.2, 0.00300154/step Wall: 12523.2, 0.00300154/step, 0.695523 hours remaining, 208.925781 MB of memory in use. ENERGY: 4165800 752.0420 2064.7473 1963.0663 104.4265 -206216.7654 17628.3693 0.0000 0.0000 34446.7137 -149257.4003 300.8317 -183704.1140 -149157.6457 299.4338 -116.0273 -84.7753 556295.4676 -16.8113 -16.9256 PRESSURE: 4166000 54.2786 16.1915 -56.9738 16.1912 6.95964 20.0411 -56.9742 20.0407 -243.077 GPRESSURE: 4166000 99.1618 77.9497 -56.1312 -60.9528 6.08475 -25.8244 -91.0159 100.823 -190.821 PRESSAVG: 4166000 -32.662 -14.9424 -23.2531 -14.9423 41.3872 -28.3407 -23.253 -28.3407 -16.9469 GPRESSAVG: 4166000 -34.7312 -14.6534 -20.7296 -17.5246 42.0829 -27.7687 -23.6226 -27.7401 -16.2506 TIMING: 4166000 CPU: 12523.8, 0.00298922/step Wall: 12523.8, 0.00298922/step, 0.692502 hours remaining, 208.925781 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: 4166000 775.8079 2182.3998 1937.1909 101.2807 -206361.6426 17739.2483 0.0000 0.0000 34425.3265 -149200.3885 300.6449 -183625.7150 -149106.2413 299.3680 -60.6129 -28.5248 555865.2510 -2.7406 -2.9663 PRESSURE: 4166200 32.5519 -138.194 82.0877 -138.193 -29.9662 86.2413 82.0868 86.2409 85.4271 GPRESSURE: 4166200 105.039 -51.9814 93.6929 -143.873 -49.5235 37.2559 53.5553 58.8543 141.695 PRESSAVG: 4166200 49.4603 33.3996 -32.9815 33.3997 5.26963 34.7908 -32.9815 34.791 -61.093 GPRESSAVG: 4166200 49.9164 33.0902 -32.998 33.8871 4.70314 37.1374 -33.8338 33.0363 -60.7554 TIMING: 4166200 CPU: 12524.4, 0.00297764/step Wall: 12524.4, 0.00297764/step, 0.689654 hours remaining, 208.925781 MB of memory in use. ENERGY: 4166200 742.2989 2099.3303 1939.3442 107.8409 -206196.5584 17841.8930 0.0000 0.0000 34153.3349 -149312.5162 298.2696 -183465.8512 -149214.7748 299.4157 29.3376 65.7367 556966.6091 -2.1210 -2.0453 PRESSURE: 4166400 -133.179 -50.0798 7.09554 -50.079 223.682 15.924 7.0964 15.9254 -93.8479 GPRESSURE: 4166400 -97.9658 -79.0946 -45.7569 -28.2517 258.242 26.9128 68.3425 24.4727 -68.2818 PRESSAVG: 4166400 -20.1897 4.46144 -15.4948 4.4615 10.6608 54.4154 -15.4948 54.4155 -22.2876 GPRESSAVG: 4166400 -20.714 4.18418 -14.7685 5.88545 9.55853 52.9177 -14.7805 53.1142 -21.3409 TIMING: 4166400 CPU: 12525, 0.00298121/step Wall: 12525, 0.00298121/step, 0.690316 hours remaining, 208.925781 MB of memory in use. ENERGY: 4166400 754.7229 2195.2099 1931.9982 117.0044 -206252.8573 17839.1290 0.0000 0.0000 34254.2179 -149160.5750 299.1506 -183414.7929 -149061.1900 299.9209 -1.1151 30.6650 555862.2475 -10.6055 -10.8321 PRESSURE: 4166600 21.3639 -86.9796 -32.8455 -86.9796 -107.417 -115.389 -32.845 -115.388 127.533 GPRESSURE: 4166600 -6.05448 -44.4141 -70.6069 -131.991 6.18321 -150.885 -81.4762 -56.2652 128.826 PRESSAVG: 4166600 -24.391 2.5967 -14.646 2.59668 19.0907 0.948565 -14.6461 0.948521 18.4199 GPRESSAVG: 4166600 -23.2049 3.85565 -16.1016 2.16355 19.7445 2.45456 -15.2539 2.37669 16.9667 TIMING: 4166600 CPU: 12525.5, 0.00296594/step Wall: 12525.5, 0.00296594/step, 0.686616 hours remaining, 208.925781 MB of memory in use. ENERGY: 4166600 753.4993 2122.6728 1936.6478 112.0782 -206353.9105 17944.8664 0.0000 0.0000 34301.3459 -149182.8001 299.5622 -183484.1460 -149086.9479 299.8381 13.8268 42.9848 556478.4600 4.3732 4.5021 PRESSURE: 4166800 -313.853 -6.07846 3.34892 -6.07702 -54.8886 -38.123 3.34941 -38.1248 -144.918 GPRESSURE: 4166800 -246.248 19.1092 4.09188 18.6399 -23.6231 -11.8669 -10.4118 -81.4064 -137.967 PRESSAVG: 4166800 24.7234 -15.2609 -5.1227 -15.2609 -25.3664 8.06045 -5.12267 8.06047 25.0943 GPRESSAVG: 4166800 24.415 -15.6301 -3.4096 -15.3845 -24.4632 5.47421 -3.67262 8.82302 24.7141 TIMING: 4166800 CPU: 12526.1, 0.00295719/step Wall: 12526.1, 0.00295719/step, 0.684425 hours remaining, 208.925781 MB of memory in use. ENERGY: 4166800 747.4453 2121.1667 1933.2727 110.5803 -206037.4915 17685.0322 0.0000 0.0000 34294.2603 -149145.7339 299.5003 -183439.9942 -149044.6209 299.7465 -171.2201 -135.9460 558078.3860 8.1504 8.2220 PRESSURE: 4167000 163.613 113.828 -36.465 113.829 35.674 -152.696 -36.4643 -152.695 275.491 GPRESSURE: 4167000 237.412 90.8543 4.92216 68.0828 68.9327 -167.441 12.4341 -172.31 259.165 PRESSAVG: 4167000 66.6401 7.18488 -2.01657 7.18486 -72.8334 -9.21694 -2.01662 -9.21694 -23.2305 GPRESSAVG: 4167000 66.8691 8.1235 -1.65134 6.24938 -73.5057 -8.21827 -2.35869 -8.26481 -22.9705 TIMING: 4167000 CPU: 12526.7, 0.00295431/step Wall: 12526.7, 0.00295431/step, 0.683595 hours remaining, 208.925781 MB of memory in use. ENERGY: 4167000 734.2758 2144.8623 1962.1993 122.6225 -206706.5135 18126.1373 0.0000 0.0000 34281.7815 -149334.6348 299.3913 -183616.4163 -149237.0271 299.9075 158.2593 188.5032 557393.9037 -9.8079 -9.8690 PRESSURE: 4167200 -185.806 154.72 -105.423 154.719 57.4981 22.7603 -105.423 22.7607 32.151 GPRESSURE: 4167200 -160.509 218.35 -58.6716 36.8583 119.708 1.156 -139.02 63.3478 46.3602 PRESSAVG: 4167200 15.2504 24.0223 -7.67413 24.0222 -6.80071 7.32605 -7.67415 7.32598 30.9116 GPRESSAVG: 4167200 14.6258 23.8415 -8.4215 23.9571 -6.29832 7.88677 -10.1687 7.18088 30.8468 TIMING: 4167200 CPU: 12527.3, 0.00297481/step Wall: 12527.3, 0.00297481/step, 0.688172 hours remaining, 208.925781 MB of memory in use. ENERGY: 4167200 740.8335 2110.7354 1968.4085 117.6117 -206772.6744 18120.5590 0.0000 0.0000 34328.4502 -149386.0762 299.7989 -183714.5263 -149291.4451 298.9471 -32.0522 1.8530 557599.5710 13.1204 13.0581 PRESSURE: 4167400 106.88 -42.6139 53.9972 -42.6157 157.247 17.8237 53.9974 17.8227 132.889 GPRESSURE: 4167400 189.631 56.981 119.98 -41.2565 199.983 33.6562 -74.4522 77.3471 106.715 PRESSAVG: 4167400 36.1761 2.80683 15.8736 2.80672 0.911116 9.50712 15.8737 9.50711 -25.5213 GPRESSAVG: 4167400 38.1963 2.41949 16.1615 3.55425 -0.980085 7.87193 17.0136 10.4235 -25.4877 TIMING: 4167400 CPU: 12527.9, 0.00300105/step Wall: 12527.9, 0.00300105/step, 0.694075 hours remaining, 208.925781 MB of memory in use. ENERGY: 4167400 699.3338 2122.1570 1947.9295 131.3038 -206281.1331 18014.1828 0.0000 0.0000 34274.9116 -149091.3146 299.3313 -183366.2262 -148995.2328 299.2696 132.3384 165.4430 557796.4750 3.8553 3.9095 PRESSURE: 4167600 59.8178 64.8374 -32.9384 64.8385 -139.354 -116.059 -32.9387 -116.059 -110.162 GPRESSURE: 4167600 109.441 27.1397 -78.9652 31.977 -119.069 -193.882 9.33082 -92.942 -89.1091 PRESSAVG: 4167600 25.0604 -0.624022 19.8243 -0.623955 -9.95814 -65.6621 19.8244 -65.6621 -27.7257 GPRESSAVG: 4167600 23.7252 -0.494466 19.0817 -1.22687 -8.08508 -64.5645 22.4401 -66.4753 -27.8574 TIMING: 4167600 CPU: 12528.5, 0.00298314/step Wall: 12528.5, 0.00298314/step, 0.689768 hours remaining, 208.925781 MB of memory in use. ENERGY: 4167600 776.7911 2103.0878 1939.9698 118.8399 -206293.7499 17864.3231 0.0000 0.0000 34285.3201 -149205.4181 299.4222 -183490.7382 -149111.8025 299.2010 -63.2327 -32.9124 557175.0533 -4.2078 -4.0724 PRESSURE: 4167800 -43.4229 -151.838 112.151 -151.839 156.379 103.863 112.149 103.863 238.232 GPRESSURE: 4167800 -13.2885 -144.657 8.88604 -74.6006 199.225 115.917 122.966 113.044 267.92 PRESSAVG: 4167800 40.1986 -56.7346 22.952 -56.7346 35.2071 -32.6269 22.952 -32.627 -24.8736 GPRESSAVG: 4167800 39.6834 -55.467 23.4735 -57.1865 35.2903 -30.6779 20.3251 -34.0821 -24.4714 TIMING: 4167800 CPU: 12529.1, 0.00296598/step Wall: 12529.1, 0.00296598/step, 0.685636 hours remaining, 208.925781 MB of memory in use. ENERGY: 4167800 722.5809 2105.2733 1929.7512 107.8427 -206432.0513 17916.2460 0.0000 0.0000 34361.4516 -149288.9055 300.0871 -183650.3571 -149195.7730 299.5326 117.0627 151.2856 556615.3596 16.8440 16.8341 PRESSURE: 4168000 -167.865 -29.2441 114.907 -29.2438 90.7739 39.761 114.907 39.7608 8.21207 GPRESSURE: 4168000 -112.313 50.082 205.399 7.49283 63.4576 101.239 69.9926 -50.8357 71.0693 PRESSAVG: 4168000 -8.26806 18.6487 34.0099 18.6487 5.71335 -64.83 34.0098 -64.8299 20.5485 GPRESSAVG: 4168000 -7.02519 17.4379 33.7043 20.689 5.04826 -66.3956 34.708 -65.6124 19.7123 TIMING: 4168000 CPU: 12529.7, 0.00296123/step Wall: 12529.7, 0.00296123/step, 0.684373 hours remaining, 208.925781 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: 4168000 719.6520 2110.5499 1958.4123 106.1034 -205931.8467 17622.2542 0.0000 0.0000 34233.9455 -149180.9294 298.9736 -183414.8749 -149093.8555 299.0608 -22.9598 7.4046 556570.4716 5.9979 5.9118 PRESSURE: 4168200 -89.191 -124.724 53.9473 -124.724 -94.3943 -0.62226 53.9468 -0.62249 -403.848 GPRESSURE: 4168200 -56.2645 -128.843 -27.2964 -130.213 -66.7855 10.9904 68.7069 16.9508 -371.077 PRESSAVG: 4168200 35.0054 9.52655 69.7 9.52653 58.9849 -71.6959 69.7 -71.6959 -74.2487 GPRESSAVG: 4168200 34.0275 10.2053 69.9061 7.8736 58.3781 -71.6 68.2556 -69.7458 -72.6866 TIMING: 4168200 CPU: 12530.3, 0.0029636/step Wall: 12530.3, 0.0029636/step, 0.684756 hours remaining, 208.925781 MB of memory in use. ENERGY: 4168200 758.8569 2083.0584 1906.8595 110.7321 -206067.8853 17579.3813 0.0000 0.0000 34353.3817 -149275.6154 300.0166 -183628.9971 -149177.7845 299.6981 -195.8112 -164.7089 557752.8042 6.5805 6.5730 LDB: ============= START OF LOAD BALANCING ============== 12533.8 LDB: ============== END OF LOAD BALANCING =============== 12533.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12533.8 LDB: ============= START OF LOAD BALANCING ============== 12534.1 LDB: Largest compute 4802 load 0.027769 is 23.5% of average load 0.118226 LDB: Average compute 0.001730 is 1.5% of average load 0.118226 LDB: TIME 12534.1 LOAD: AVG 0.118226 MAX 0.208976 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.941 MB LDB: TIME 12534.1 LOAD: AVG 0.118226 MAX 0.208976 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.941 MB LDB: TIME 12534.1 LOAD: AVG 0.118226 MAX 0.208976 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.941 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12534.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12534.1 PRESSURE: 4168400 -256.017 108.066 -75.5908 108.065 -121.309 -75.3274 -75.5916 -75.3285 -148.035 GPRESSURE: 4168400 -247.083 117.778 -38.9701 154.711 -50.071 -62.4523 58.3371 -98.1193 -133.31 PRESSAVG: 4168400 3.94981 18.0423 17.0211 18.0423 45.4125 12.0902 17.0211 12.0903 -57.7364 GPRESSAVG: 4168400 3.92709 17.3313 15.6164 18.0024 46.0642 11.9814 19.6297 10.9947 -58.2559 TIMING: 4168400 CPU: 12530.9, 0.00302541/step Wall: 12530.9, 0.00302541/step, 0.69887 hours remaining, 208.941406 MB of memory in use. ENERGY: 4168400 760.3458 2095.7633 1938.0183 115.7988 -206170.1123 17707.2172 0.0000 0.0000 34218.3502 -149334.6187 298.8374 -183552.9690 -149237.8835 298.9217 -175.1201 -143.4882 558213.2659 -2.7914 -2.7549 PRESSURE: 4168600 -99.2929 176.576 -150.965 176.576 275.639 60.704 -150.965 60.7038 122.821 GPRESSURE: 4168600 -37.0617 155.765 -150.419 85.0574 297.743 48.8221 -158.426 69.3012 144.776 PRESSAVG: 4168600 7.88949 38.5782 -83.0494 38.5782 37.789 28.9284 -83.0494 28.9284 -11.1017 GPRESSAVG: 4168600 8.07081 36.7362 -81.6604 40.8635 36.1314 31.2465 -83.8779 27.9859 -10.2436 TIMING: 4168600 CPU: 12531.5, 0.00297806/step Wall: 12531.5, 0.00297806/step, 0.687767 hours remaining, 209.144531 MB of memory in use. ENERGY: 4168600 777.7790 2086.7678 1938.5192 118.6879 -206509.1490 18096.9467 0.0000 0.0000 34244.4669 -149245.9816 299.0654 -183490.4485 -149145.2398 299.5892 99.7222 135.1522 557753.7464 11.5256 11.3195 PRESSURE: 4168800 -308.592 -33.1778 -56.5873 -33.1791 -63.5366 -185.639 -56.5859 -185.638 -207.404 GPRESSURE: 4168800 -290.53 -107.613 -103.012 84.385 -26.2162 -131.134 -39.5876 -163.707 -175.649 PRESSAVG: 4168800 -42.0636 15.7186 8.60795 15.7186 8.8916 -18.4267 8.60797 -18.4265 44.706 GPRESSAVG: 4168800 -42.0503 16.9735 8.61539 13.2342 9.3199 -19.1025 7.55071 -16.1662 44.2533 TIMING: 4168800 CPU: 12532.1, 0.00297277/step Wall: 12532.1, 0.00297277/step, 0.686379 hours remaining, 209.144531 MB of memory in use. ENERGY: 4168800 776.5619 2092.4467 1945.7732 118.5494 -206606.3423 17829.7691 0.0000 0.0000 34291.6216 -149551.6204 299.4773 -183843.2420 -149455.5443 298.9587 -193.1775 -164.1315 558794.7077 3.8447 3.8410 PRESSURE: 4169000 -278.019 -68.484 29.3638 -68.4845 -144.966 -5.73557 29.3651 -5.73489 -79.1954 GPRESSURE: 4169000 -204.436 26.4028 19.6693 -99.271 -141.553 -29.8469 -50.548 -14.9844 -60.2916 PRESSAVG: 4169000 11.8839 -8.53928 -16.999 -8.53929 41.0761 -10.6782 -16.9989 -10.6783 -19.6814 GPRESSAVG: 4169000 11.7404 -7.7663 -18.3085 -9.09269 42.3138 -10.7015 -17.6281 -13.2588 -20.6396 TIMING: 4169000 CPU: 12532.7, 0.00299759/step Wall: 12532.7, 0.00299759/step, 0.691945 hours remaining, 209.144531 MB of memory in use. ENERGY: 4169000 734.9402 2101.9205 1894.4059 115.7230 -206156.4426 17599.3675 0.0000 0.0000 34318.1640 -149391.9215 299.7091 -183710.0856 -149291.5787 299.0484 -167.3932 -135.4267 556065.0347 11.0929 11.1382 PRESSURE: 4169200 -258.592 -168.715 -30.8314 -168.713 -56.4185 -201.015 -30.8319 -201.014 -82.3428 GPRESSURE: 4169200 -207.696 -109.878 -11.9016 -116.111 -55.2516 -152.045 -0.474537 -176.773 -50.2201 PRESSAVG: 4169200 -67.9838 -4.93384 13.1483 -4.93383 31.4751 11.0659 13.1483 11.0659 5.71818 GPRESSAVG: 4169200 -68.3563 -4.05993 12.5456 -3.58186 30.3483 11.8856 14.3518 11.7631 6.59476 TIMING: 4169200 CPU: 12533.3, 0.00300026/step Wall: 12533.3, 0.00300026/step, 0.692393 hours remaining, 209.144531 MB of memory in use. ENERGY: 4169200 743.7800 2110.6388 1918.3079 123.9661 -205999.6262 17474.0952 0.0000 0.0000 34330.2773 -149298.5609 299.8149 -183628.8382 -149197.6694 298.9670 -132.4512 -104.3891 555759.7095 -10.2635 -10.4711 PRESSURE: 4169400 3.95487 -106.156 -17.3345 -106.155 422.875 -137.041 -17.3332 -137.04 28.804 GPRESSURE: 4169400 15.8351 -145.076 -15.5594 -36.4258 464.162 -126.413 -42.1787 -201.781 70.3156 PRESSAVG: 4169400 -23.5748 -6.87467 4.50619 -6.87476 -7.53163 12.9059 4.50623 12.9061 9.4712 GPRESSAVG: 4169400 -23.8377 -8.78466 2.93122 -7.9726 -5.82016 11.5134 3.74056 13.4577 8.99369 TIMING: 4169400 CPU: 12533.9, 0.00298417/step Wall: 12533.9, 0.00298417/step, 0.688515 hours remaining, 209.144531 MB of memory in use. ENERGY: 4169400 739.6042 2150.0575 1925.7156 114.8408 -206326.7965 17703.9514 0.0000 0.0000 34319.5544 -149373.0725 299.7212 -183692.6270 -149275.3877 299.5710 151.8778 183.4375 554309.0769 -7.2117 -6.8881 PRESSURE: 4169600 6.91335 87.9559 42.5418 87.9559 -231.633 102.085 42.543 102.085 59.4103 GPRESSURE: 4169600 63.4079 88.3466 -3.34912 179.799 -190.756 98.5507 86.9637 155.375 67.3363 PRESSAVG: 4169600 -13.4311 -40.2555 43.9766 -40.2556 32.6805 19.0368 43.9765 19.0369 -19.6569 GPRESSAVG: 4169600 -12.9655 -39.8857 46.2353 -38.2228 32.4518 17.2246 44.9318 19.3792 -20.4736 TIMING: 4169600 CPU: 12534.5, 0.00298164/step Wall: 12534.5, 0.00298164/step, 0.687765 hours remaining, 209.144531 MB of memory in use. ENERGY: 4169600 756.3889 2089.7277 1898.5637 107.0702 -206178.1070 17571.8103 0.0000 0.0000 34389.2304 -149365.3159 300.3297 -183754.5462 -149263.5197 298.9706 -55.1033 -20.0040 556136.7519 -0.1358 -0.3291 PRESSURE: 4169800 -107.283 70.1132 94.655 70.1146 -151.152 -165.269 94.6555 -165.268 -259.442 GPRESSURE: 4169800 -93.445 74.7213 92.4443 69.6585 -165.002 -216.14 155.507 -141.462 -161.331 PRESSAVG: 4169800 -19.8246 29.6642 7.67622 29.6642 22.2338 -10.5612 7.67627 -10.5614 10.7695 GPRESSAVG: 4169800 -19.9452 27.9154 6.64377 28.4439 21.1223 -10.3271 9.66137 -10.5664 12.1706 TIMING: 4169800 CPU: 12535.1, 0.00296526/step Wall: 12535.1, 0.00296526/step, 0.683821 hours remaining, 209.144531 MB of memory in use. ENERGY: 4169800 796.6360 2162.4317 1942.7063 111.6571 -206154.5308 17745.9487 0.0000 0.0000 34239.6134 -149155.5377 299.0231 -183395.1510 -149061.7081 299.6106 -172.6260 -139.9261 557866.3694 4.3929 4.4492 PRESSURE: 4170000 69.302 -82.4984 236.602 -82.4994 113.282 -67.3427 236.603 -67.3422 0.874926 GPRESSURE: 4170000 68.3412 -44.2519 278.253 -113.501 158.611 -54.6891 156.728 -134.412 47.3916 PRESSAVG: 4170000 11.9243 -34.584 14.5679 -34.5839 -19.631 -52.6888 14.568 -52.6888 -17.0482 GPRESSAVG: 4170000 11.4959 -33.0058 14.1874 -34.299 -19.2332 -52.5635 13.7191 -50.5848 -17.13 TIMING: 4170000 CPU: 12535.7, 0.00298975/step Wall: 12535.7, 0.00298975/step, 0.689304 hours remaining, 209.144531 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: 4170000 738.8739 2074.6365 1965.7123 109.5851 -206126.1160 17728.2663 0.0000 0.0000 34286.9245 -149222.1174 299.4362 -183509.0419 -149122.3992 299.4005 61.1531 91.4479 555830.1457 -8.2516 -8.2891 PRESSURE: 4170200 120.992 -34.6593 -106.314 -34.6584 56.6118 -115.941 -106.313 -115.941 61.3235 GPRESSURE: 4170200 154.592 -20.3466 -166.698 45.0222 90.1687 -51.3041 -6.5925 -69.9641 94.4771 PRESSAVG: 4170200 41.3961 21.1693 -0.372335 21.1693 3.33667 -16.8469 -0.372283 -16.8469 -34.8439 GPRESSAVG: 4170200 42.2775 21.0735 1.99232 21.0838 2.9705 -15.1454 -1.13012 -17.7492 -35.1566 TIMING: 4170200 CPU: 12536.3, 0.00298011/step Wall: 12536.3, 0.00298011/step, 0.686916 hours remaining, 209.144531 MB of memory in use. ENERGY: 4170200 772.2985 2067.6816 1938.3116 109.6605 -206243.3810 17887.0310 0.0000 0.0000 34393.2341 -149075.1637 300.3647 -183468.3978 -148977.3275 299.8671 79.6425 113.0793 555410.0138 3.2963 3.3638 PRESSURE: 4170400 -239.569 -19.1094 -180.36 -19.109 -43.9283 -30.9055 -180.361 -30.903 -300.104 GPRESSURE: 4170400 -220.655 25.3766 -202.523 -32.5714 25.5937 -12.1613 -115.332 4.63043 -287.659 PRESSAVG: 4170400 40.5202 20.6588 19.8808 20.6587 43.4753 -22.0067 19.8808 -22.0066 -62.6504 GPRESSAVG: 4170400 40.042 22.6308 17.679 18.61 43.8575 -22.0197 20.8546 -23.9739 -61.9305 TIMING: 4170400 CPU: 12536.9, 0.00300689/step Wall: 12536.9, 0.00300689/step, 0.692921 hours remaining, 209.144531 MB of memory in use. ENERGY: 4170400 787.7066 2155.1451 1954.1159 114.7065 -206009.3342 17445.0661 0.0000 0.0000 34299.3617 -149253.2322 299.5449 -183552.5939 -149153.3427 299.5444 -194.5336 -160.9069 556745.3518 7.1150 7.3230 PRESSURE: 4170600 -35.2401 -87.3411 185.159 -87.3421 -201.247 -129.028 185.159 -129.028 62.1775 GPRESSURE: 4170600 33.5513 -52.2022 270.134 -132.752 -213.005 -153.162 129.125 -137.894 110.571 PRESSAVG: 4170600 19.2723 47.2709 54.488 47.2709 13.4318 1.18305 54.488 1.18304 -61.9455 GPRESSAVG: 4170600 19.1307 46.1834 55.5195 48.6203 12.8246 0.746036 53.8463 1.51805 -61.2276 TIMING: 4170600 CPU: 12537.5, 0.00297923/step Wall: 12537.5, 0.00297923/step, 0.686382 hours remaining, 209.144531 MB of memory in use. ENERGY: 4170600 786.1950 2118.3670 1954.6290 106.7033 -206442.4147 17755.3579 0.0000 0.0000 34418.6400 -149302.5224 300.5865 -183721.1624 -149207.9295 298.9330 -58.1032 -22.9608 555052.1129 -9.7471 -9.7575 PRESSURE: 4170800 -193.094 -137.178 55.2222 -137.177 18.6951 62.0296 55.2223 62.0295 -84.7435 GPRESSURE: 4170800 -191.159 -76.3569 36.6492 -175.174 78.6472 167.734 24.3094 -49.6657 -35.938 PRESSAVG: 4170800 76.6521 26.5126 12.4292 26.5126 -38.0018 -8.07142 12.4293 -8.07142 -47.454 GPRESSAVG: 4170800 77.5107 27.3487 11.0372 25.8468 -37.3569 -7.25859 13.2086 -7.19365 -48.595 TIMING: 4170800 CPU: 12538.1, 0.00301502/step Wall: 12538.1, 0.00301502/step, 0.694459 hours remaining, 209.144531 MB of memory in use. ENERGY: 4170800 790.2809 2092.0291 1934.7687 111.3983 -206307.4567 17703.8068 0.0000 0.0000 34510.1950 -149164.9779 301.3861 -183675.1729 -149073.0628 299.7379 -86.3808 -49.4834 555532.0151 -2.9346 -2.8138 PRESSURE: 4171000 163.197 -79.8038 83.4438 -79.8016 -290.175 -92.9766 83.4428 -92.9761 30.189 GPRESSURE: 4171000 156.239 -78.6555 75.0528 -41.4812 -287.35 -32.0659 132.966 -44.5753 138.393 PRESSAVG: 4171000 31.9037 -35.1112 -0.578482 -35.1112 -22.855 -0.946143 -0.578598 -0.946003 -0.184946 GPRESSAVG: 4171000 31.3433 -34.8282 0.070987 -34.5123 -22.8577 -1.01422 -1.32442 0.881562 0.675738 TIMING: 4171000 CPU: 12538.7, 0.0030054/step Wall: 12538.7, 0.0030054/step, 0.692077 hours remaining, 209.347656 MB of memory in use. ENERGY: 4171000 791.6563 2050.2581 1942.3188 117.4040 -205840.2609 17609.7557 0.0000 0.0000 34340.3736 -148988.4944 299.9030 -183328.8680 -148895.3545 299.8054 -32.2630 2.4274 556336.0422 2.9546 3.0538 PRESSURE: 4171200 26.868 -154.514 130.901 -154.514 -242.663 88.8894 130.902 88.89 -164.252 GPRESSURE: 4171200 67.0715 -196.168 97.1614 -114.044 -192.375 72.5802 144.621 79.2518 -160.783 PRESSAVG: 4171200 35.1448 -21.1587 -10.7685 -21.1588 -33.858 -4.62217 -10.7685 -4.62221 -11.6174 GPRESSAVG: 4171200 36.1806 -21.5095 -11.3402 -19.842 -35.0338 -4.88087 -9.24215 -6.32715 -11.4566 TIMING: 4171200 CPU: 12539.3, 0.00299448/step Wall: 12539.3, 0.00299448/step, 0.689397 hours remaining, 209.347656 MB of memory in use. ENERGY: 4171200 790.8129 2071.7400 1991.9741 105.1692 -205844.9732 17553.5324 0.0000 0.0000 34285.8759 -149045.8686 299.4271 -183331.7445 -148953.8148 300.0815 -126.6821 -95.3624 555348.2358 -3.4435 -3.4366 PRESSURE: 4171400 -126.054 -8.722 -116.532 -8.72277 -78.5719 40.5601 -116.533 40.5611 -28.6011 GPRESSURE: 4171400 -70.6945 -26.65 -79.6831 -24.0148 -45.2372 98.1582 -102.145 27.9676 -13.6409 PRESSAVG: 4171400 6.76803 -2.41508 22.1255 -2.415 -6.6737 -4.73263 22.1254 -4.73263 6.32887 GPRESSAVG: 4171400 6.68097 -2.51305 25.1672 -3.42588 -5.2832 -5.5122 18.8379 -4.02056 5.40699 TIMING: 4171400 CPU: 12539.9, 0.00297711/step Wall: 12539.9, 0.00297711/step, 0.685232 hours remaining, 209.347656 MB of memory in use. ENERGY: 4171400 802.3898 2154.7795 1944.0645 95.2618 -206358.4140 17787.3346 0.0000 0.0000 34406.9550 -149167.6289 300.4845 -183574.5838 -149071.6034 299.5838 -77.7424 -43.1909 556575.4576 2.1411 2.2683 PRESSURE: 4171600 -51.1345 26.4744 -97.5029 26.4741 100.719 -31.6581 -97.5033 -31.6574 -51.139 GPRESSURE: 4171600 -21.1905 81.4062 -131.522 28.1818 131.786 -45.2595 -71.6893 22.407 -4.55341 PRESSAVG: 4171600 -13.2485 13.3887 -51.0834 13.3886 31.0513 -34.2869 -51.0834 -34.2868 -15.6559 GPRESSAVG: 4171600 -14.9269 14.7401 -55.133 11.1126 31.6817 -34.2433 -47.112 -33.9296 -14.8607 TIMING: 4171600 CPU: 12540.5, 0.00299936/step Wall: 12540.5, 0.00299936/step, 0.690186 hours remaining, 209.347656 MB of memory in use. ENERGY: 4171600 758.7542 2154.0242 1918.1902 108.6249 -206063.2277 17867.0431 0.0000 0.0000 34172.9916 -149083.5995 298.4412 -183256.5912 -148989.1870 299.4507 -0.5181 35.3473 556359.6283 0.7156 0.6314 PRESSURE: 4171800 -104.824 16.9641 81.8608 16.9647 221.388 -133.295 81.8615 -133.296 77.4835 GPRESSURE: 4171800 -107.483 80.7199 69.9102 -30.4925 367.085 -118.331 84.3044 -96.3847 25.1942 PRESSAVG: 4171800 -52.5976 -0.659465 38.4956 -0.659451 26.7149 -32.9876 38.4956 -32.9875 9.18151 GPRESSAVG: 4171800 -51.3705 -0.712515 40.9267 -0.238558 25.3861 -33.0718 37.1019 -32.6309 8.93905 TIMING: 4171800 CPU: 12541.1, 0.00297538/step Wall: 12541.1, 0.00297538/step, 0.684503 hours remaining, 209.347656 MB of memory in use. ENERGY: 4171800 746.0917 2122.1348 1949.5019 97.6483 -205981.9309 17799.8017 0.0000 0.0000 34258.7747 -149007.9779 299.1904 -183266.7526 -148900.8842 299.4744 64.6826 94.9317 556367.2197 -5.5671 -5.6818 PRESSURE: 4172000 -153.865 -119.333 -108.247 -119.334 -60.4196 -106.568 -108.245 -106.568 -71.895 GPRESSURE: 4172000 -151.594 -172.076 -139.988 -205.695 2.96887 -119.229 -62.8628 -59.3333 -30.5784 PRESSAVG: 4172000 -25.4232 -36.2261 -10.1682 -36.2261 13.5514 3.18397 -10.1682 3.184 13.8924 GPRESSAVG: 4172000 -26.2835 -38.9885 -9.61988 -35.745 13.932 2.74321 -11.6168 4.78836 13.5542 TIMING: 4172000 CPU: 12541.7, 0.00295802/step Wall: 12541.7, 0.00295802/step, 0.680346 hours remaining, 209.347656 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: 4172000 759.3804 2047.4419 1928.8338 102.9753 -205670.7927 17635.4316 0.0000 0.0000 34083.3971 -149113.3326 297.6588 -183196.7297 -149020.9879 298.8856 -95.3931 -59.7345 558704.2370 0.6735 0.4009 PRESSURE: 4172200 232.29 -136.965 -112.222 -136.967 -88.2582 -0.725076 -112.223 -0.722352 76.6186 GPRESSURE: 4172200 268.924 -188.384 -71.9991 -166.618 -76.6031 -12.0645 -133.244 61.7532 126.93 PRESSAVG: 4172200 9.36429 27.2401 -42.0846 27.24 7.8469 22.6895 -42.0846 22.6895 28.0273 GPRESSAVG: 4172200 11.3476 28.1337 -41.7364 26.3407 6.30722 23.6616 -42.2213 19.3418 27.6052 TIMING: 4172200 CPU: 12542.3, 0.0029748/step Wall: 12542.3, 0.0029748/step, 0.684039 hours remaining, 209.347656 MB of memory in use. ENERGY: 4172200 715.3711 2065.4081 1924.3685 127.7903 -205645.9916 17644.3686 0.0000 0.0000 34121.7763 -149046.9088 297.9940 -183168.6851 -148956.4465 299.0176 73.5501 106.4171 555789.0026 15.0795 15.0867 LDB: ============= START OF LOAD BALANCING ============== 12545.8 LDB: ============== END OF LOAD BALANCING =============== 12545.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12545.8 LDB: ============= START OF LOAD BALANCING ============== 12546.1 LDB: Largest compute 4802 load 0.029275 is 24.8% of average load 0.118136 LDB: Average compute 0.001733 is 1.5% of average load 0.118136 LDB: TIME 12546.1 LOAD: AVG 0.118136 MAX 0.210612 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.453 MB LDB: TIME 12546.1 LOAD: AVG 0.118136 MAX 0.210612 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.562 MB LDB: TIME 12546.1 LOAD: AVG 0.118136 MAX 0.210612 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.562 MB LDB: ============== END OF LOAD BALANCING =============== 12546.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12546.1 PRESSURE: 4172400 142.165 -108.846 99.3118 -108.845 21.5238 170.925 99.3107 170.927 468.563 GPRESSURE: 4172400 208.758 -62.4808 143.465 -94.553 33.7067 167.239 88.7277 156.643 475.222 PRESSAVG: 4172400 14.5169 -45.2349 -42.4155 -45.2349 -73.6007 30.3946 -42.4156 30.3946 51.0724 GPRESSAVG: 4172400 12.9016 -44.2142 -41.5324 -45.8229 -73.4534 28.3757 -42.2572 34.4692 52.5225 TIMING: 4172400 CPU: 12542.9, 0.00304612/step Wall: 12542.9, 0.00304612/step, 0.700269 hours remaining, 209.906250 MB of memory in use. ENERGY: 4172400 748.5413 2058.3126 1920.5193 102.9626 -205965.3334 17980.8888 0.0000 0.0000 34293.5234 -148860.5855 299.4939 -183154.1089 -148764.0931 300.1697 210.7504 239.2289 557806.5535 -2.6705 -2.6764 PRESSURE: 4172600 -282.045 -233.977 102.612 -233.977 -353.637 166.869 102.612 166.871 -180.86 GPRESSURE: 4172600 -193.496 -176.431 34.7456 -287.225 -337.031 77.9671 131.872 202.625 -194.006 PRESSAVG: 4172600 7.25514 -51.2886 -15.2616 -51.2886 3.30812 62.2541 -15.2617 62.2542 29.5979 GPRESSAVG: 4172600 7.27882 -52.3963 -16.8742 -50.9416 3.29645 63.1651 -14.237 59.1449 29.5001 TIMING: 4172600 CPU: 12543.5, 0.00298015/step Wall: 12543.5, 0.00298015/step, 0.684937 hours remaining, 210.367188 MB of memory in use. ENERGY: 4172600 754.0433 2067.1151 1938.9195 114.4479 -205369.6531 17372.5300 0.0000 0.0000 34293.3730 -148829.2243 299.4926 -183122.5973 -148732.5372 299.4878 -272.1808 -241.5109 558261.6931 13.3870 13.3585 PRESSURE: 4172800 -59.8728 119.394 -152.214 119.395 101.953 49.2537 -152.213 49.2537 -41.9184 GPRESSURE: 4172800 19.7452 47.7999 -160.076 146.912 43.5024 -26.6404 -193.697 68.9439 31.5879 PRESSAVG: 4172800 -15.6027 -33.6745 -1.1059 -33.6744 -30.5755 74.2258 -1.10595 74.2257 32.8505 GPRESSAVG: 4172800 -14.214 -34.164 1.60889 -33.7709 -31.9359 74.7002 -2.52076 72.9459 33.1792 TIMING: 4172800 CPU: 12544.1, 0.00299098/step Wall: 12544.1, 0.00299098/step, 0.68726 hours remaining, 210.367188 MB of memory in use. ENERGY: 4172800 747.1080 2115.5673 1927.6095 110.4743 -205729.7113 17758.3859 0.0000 0.0000 34343.8720 -148726.6943 299.9336 -183070.5663 -148629.7486 300.0904 0.0541 31.6118 557515.2576 -4.4426 -4.3236 PRESSURE: 4173000 303.416 -10.1002 177.938 -10.1009 156.226 24.6686 177.938 24.6696 -36.2438 GPRESSURE: 4173000 333.55 -8.64205 105.671 73.0397 157.1 98.9179 190.532 -33.9082 48.1027 PRESSAVG: 4173000 -10.4087 6.20279 7.81524 6.20278 -41.9702 12.4674 7.81525 12.4675 26.7264 GPRESSAVG: 4173000 -11.0637 7.67778 3.53806 6.08742 -40.7256 13.6504 10.6169 12.3958 26.3999 TIMING: 4173000 CPU: 12544.7, 0.00299098/step Wall: 12544.7, 0.00299098/step, 0.687095 hours remaining, 210.367188 MB of memory in use. ENERGY: 4173000 752.0827 2036.3757 1956.6774 116.8805 -205833.8413 17859.0019 0.0000 0.0000 34358.6687 -148754.1544 300.0628 -183112.8231 -148656.5256 300.3840 141.1327 179.5845 557548.2482 -8.5509 -8.4631 PRESSURE: 4173200 52.6818 49.5175 82.1651 49.5172 306.307 36.6913 82.167 36.6918 -1.83911 GPRESSURE: 4173200 130.525 33.612 123.276 36.3219 269.844 -18.1901 56.6678 79.4211 53.688 PRESSAVG: 4173200 74.1116 30.9774 57.3056 30.9774 -37.4576 33.7366 57.3055 33.7366 -4.52601 GPRESSAVG: 4173200 73.6918 29.5545 58.7507 31.595 -37.3485 31.5629 57.5781 34.994 -4.67676 TIMING: 4173200 CPU: 12545.2, 0.00297768/step Wall: 12545.2, 0.00297768/step, 0.683873 hours remaining, 210.367188 MB of memory in use. ENERGY: 4173200 753.5014 2131.6029 1941.7516 109.4603 -205934.6656 17900.6197 0.0000 0.0000 34394.0906 -148703.6391 300.3721 -183097.7297 -148605.3276 300.5144 119.0500 151.3525 559364.9225 10.7093 10.5555 PRESSURE: 4173400 -0.799081 23.8893 -95.7644 23.8893 -247.709 -46.2741 -95.7633 -46.273 -395.178 GPRESSURE: 4173400 12.7594 -46.9683 -87.2796 4.13661 -231.361 -93.6536 -123.5 10.0704 -326.201 PRESSAVG: 4173400 40.0319 -24.8819 -76.8597 -24.882 45.8534 -10.3274 -76.8598 -10.3273 -46.3817 GPRESSAVG: 4173400 39.4441 -23.6343 -78.0613 -25.6274 45.405 -8.99043 -77.0438 -8.37953 -45.8807 TIMING: 4173400 CPU: 12545.8, 0.002949/step Wall: 12545.8, 0.002949/step, 0.677124 hours remaining, 210.472656 MB of memory in use. ENERGY: 4173400 742.3488 2091.2253 1942.4858 107.1723 -205379.9391 17377.1693 0.0000 0.0000 34406.3907 -148713.1469 300.4796 -183119.5376 -148616.4561 300.4187 -214.5620 -181.6011 560326.1238 13.1679 12.9895 PRESSURE: 4173600 -103.148 90.4646 100.229 90.4646 -144.204 173.676 100.228 173.677 384.029 GPRESSURE: 4173600 -83.6579 10.7195 75.9526 111.249 -124.112 192.366 151.949 169.375 444.406 PRESSAVG: 4173600 50.8414 -36.9129 -27.0646 -36.9128 -26.9905 25.881 -27.0646 25.881 -30.5221 GPRESSAVG: 4173600 50.6585 -37.2885 -24.7999 -36.4189 -25.5213 26.6968 -29.2444 25.7856 -32.1714 TIMING: 4173600 CPU: 12546.4, 0.00295557/step Wall: 12546.4, 0.00295557/step, 0.678466 hours remaining, 210.472656 MB of memory in use. ENERGY: 4173600 749.4827 2043.8536 1946.4088 122.4316 -205825.3158 17924.3407 0.0000 0.0000 34411.0823 -148627.7160 300.5205 -183038.7983 -148530.3267 301.0422 45.5591 78.8786 557456.9926 -2.2237 -2.3447 PRESSURE: 4173800 -281.619 27.5319 -37.2536 27.5303 -124.432 184.509 -37.2533 184.509 -171.711 GPRESSURE: 4173800 -283.451 90.1968 -43.8288 44.6742 -55.3033 268.693 -82.7472 107.813 -131.455 PRESSAVG: 4173800 73.7045 6.93337 33.9689 6.93332 -49.4385 -16.445 33.9689 -16.4449 1.18447 GPRESSAVG: 4173800 73.2071 6.78863 33.4125 8.04009 -50.7798 -16.061 35.6801 -18.9243 2.74414 TIMING: 4173800 CPU: 12547, 0.00296858/step Wall: 12547, 0.00296858/step, 0.681289 hours remaining, 210.472656 MB of memory in use. ENERGY: 4173800 741.7781 2070.4957 1939.9629 105.3220 -205780.9863 17650.8625 0.0000 0.0000 34668.5039 -148604.0612 302.7687 -183272.5651 -148501.7184 301.3225 -192.5871 -156.7362 560361.1025 8.4835 8.3905 PRESSURE: 4174000 -75.063 -31.5245 -63.4861 -31.5254 110.648 -93.4653 -63.4861 -93.4655 -54.4436 GPRESSURE: 4174000 10.4 1.31932 -74.1279 -54.6366 142.976 -137.698 -54.6909 -70.2682 -80.8331 PRESSAVG: 4174000 30.0883 3.07642 10.4316 3.07649 -30.8541 -32.6507 10.4314 -32.6507 -7.90187 GPRESSAVG: 4174000 31.6276 1.75488 9.56642 3.02443 -30.9045 -33.0871 11.043 -30.697 -9.60177 TIMING: 4174000 CPU: 12547.6, 0.00297143/step Wall: 12547.6, 0.00297143/step, 0.681779 hours remaining, 210.472656 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: 4174000 756.7566 2040.7466 1941.0497 109.8204 -205806.6215 17899.9536 0.0000 0.0000 34429.2102 -148629.0844 300.6789 -183058.2946 -148533.6255 300.7563 -6.2861 24.1811 559099.6466 -2.8892 -2.9595 PRESSURE: 4174200 151.471 57.0309 121.513 57.0305 8.45975 80.4293 121.515 80.4288 199.74 GPRESSURE: 4174200 194.912 72.8004 77.9322 29.4302 53.2511 5.11322 57.8936 88.609 200.692 PRESSAVG: 4174200 -2.8977 -43.2859 55.8591 -43.2859 11.2539 -74.428 55.859 -74.428 49.1979 GPRESSAVG: 4174200 -5.25666 -40.0797 55.3041 -45.5205 12.1874 -75.3902 53.6848 -75.9786 51.1364 TIMING: 4174200 CPU: 12548.2, 0.00298222/step Wall: 12548.2, 0.00298222/step, 0.684088 hours remaining, 210.472656 MB of memory in use. ENERGY: 4174200 708.9461 2062.6333 1965.4981 108.1182 -206071.3383 18029.0706 0.0000 0.0000 34575.8802 -148621.1918 301.9598 -183197.0720 -148518.3131 300.4203 119.8902 149.6185 557776.3102 19.1847 19.3557 PRESSURE: 4174400 114.343 -4.44818 -45.9996 -4.44782 -109.164 -26.803 -45.9988 -26.8039 159.75 GPRESSURE: 4174400 140.394 3.90685 -85.4568 54.9355 -34.5881 33.8816 28.1844 -108.637 164.929 PRESSAVG: 4174400 -61.7757 3.57258 11.8244 3.57256 12.5671 -11.4411 11.8243 -11.4411 33.0479 GPRESSAVG: 4174400 -60.8886 2.64847 13.3895 4.64485 10.8458 -10.83 12.8925 -9.26797 33.3526 TIMING: 4174400 CPU: 12548.8, 0.00299207/step Wall: 12548.8, 0.00299207/step, 0.686181 hours remaining, 210.472656 MB of memory in use. ENERGY: 4174400 740.0037 2036.1542 1990.5111 115.8108 -205854.9544 18029.9443 0.0000 0.0000 34369.9294 -148572.6010 300.1611 -182942.5304 -148480.8103 300.6510 54.9764 90.2448 558656.4267 -5.3869 -5.5634 PRESSURE: 4174600 -143.493 66.983 -0.363627 66.9815 -253.127 -14.6852 -0.363037 -14.6854 -178.114 GPRESSURE: 4174600 -78.5456 70.6745 -58.1437 40.4978 -230.237 72.1595 4.44795 2.78626 -160.353 PRESSAVG: 4174600 -24.1734 -3.7247 10.6429 -3.7248 20.0945 0.194417 10.6429 0.194447 16.2047 GPRESSAVG: 4174600 -23.4279 -3.61205 11.2609 -2.52724 21.8655 -0.783629 10.0647 0.84044 13.8769 TIMING: 4174600 CPU: 12549.4, 0.00297276/step Wall: 12549.4, 0.00297276/step, 0.681588 hours remaining, 210.472656 MB of memory in use. ENERGY: 4174600 766.7539 2033.6057 1935.5229 112.6812 -205531.1967 17673.4377 0.0000 0.0000 34356.7752 -148652.4201 300.0463 -183009.1953 -148553.4329 300.9355 -191.5780 -156.3784 559151.7654 4.0419 4.1048 PRESSURE: 4174800 37.2025 -110.339 410.627 -110.338 -40.8035 -36.1371 410.626 -36.1361 5.26413 GPRESSURE: 4174800 57.2394 -169.202 390.104 -34.3501 -37.9131 -89.6436 390.326 50.3774 74.948 PRESSAVG: 4174800 -24.4411 -10.0816 76.7024 -10.0815 -3.81892 12.5179 76.7024 12.518 18.8954 GPRESSAVG: 4174800 -24.8176 -12.1942 76.4928 -9.49313 -4.51364 12.1654 76.9021 11.9056 20.0774 TIMING: 4174800 CPU: 12550, 0.00298842/step Wall: 12550, 0.00298842/step, 0.685011 hours remaining, 210.472656 MB of memory in use. ENERGY: 4174800 716.9115 2042.0587 1942.0534 121.4142 -205994.7487 17870.4937 0.0000 0.0000 34516.1601 -148785.6571 301.4382 -183301.8172 -148684.7325 300.5386 0.5544 31.4248 559613.5016 -3.1215 -3.0846 PRESSURE: 4175000 -287.815 -112.841 -18.9086 -112.841 -231.284 -77.3427 -18.9087 -77.3435 -126.925 GPRESSURE: 4175000 -272.764 -25.6788 -73.2509 -108.826 -176.416 -81.3745 -20.3583 -82.1354 -108.25 PRESSAVG: 4175000 -25.1255 -11.5499 40.8234 -11.55 20.4268 45.9493 40.8233 45.9492 20.5071 GPRESSAVG: 4175000 -25.2242 -9.02647 39.31 -14.5476 19.9458 47.2838 41.0701 43.9175 20.8629 TIMING: 4175000 CPU: 12550.6, 0.00300791/step Wall: 12550.6, 0.00300791/step, 0.689312 hours remaining, 210.472656 MB of memory in use. ENERGY: 4175000 730.5613 2113.1058 1928.5031 118.2099 -205795.2178 17532.5617 0.0000 0.0000 34500.9427 -148871.3333 301.3053 -183372.2760 -148771.1969 300.1941 -215.3414 -185.8101 559375.0416 5.2695 5.1948 PRESSURE: 4175200 108.61 98.8668 175.438 98.8658 -148.799 101.426 175.439 101.425 -61.4512 GPRESSURE: 4175200 102.082 151.28 202.724 177.125 -185.029 188.611 116.454 95.089 69.9905 PRESSAVG: 4175200 -50.1024 25.9233 30.3562 25.9233 -13.4345 55.4064 30.3562 55.4063 37.4225 GPRESSAVG: 4175200 -49.664 24.1887 29.8397 29.1368 -13.1055 53.6926 31.8566 57.1973 37.0095 TIMING: 4175200 CPU: 12551.2, 0.00299871/step Wall: 12551.2, 0.00299871/step, 0.687038 hours remaining, 210.472656 MB of memory in use. ENERGY: 4175200 748.5151 2076.8251 1936.3749 107.6309 -205830.9792 17732.3887 0.0000 0.0000 34251.7986 -148977.4459 299.1295 -183229.2445 -148880.3745 299.8988 -33.8800 -4.3188 558311.4368 -8.7048 -8.5867 PRESSURE: 4175400 60.95 28.0931 4.40059 28.0939 -87.4948 162.534 4.40237 162.534 -195.26 GPRESSURE: 4175400 54.2913 90.2967 -16.4647 -46.6609 -21.0843 167.489 -19.9444 114.721 -158.609 PRESSAVG: 4175400 -41.17 -4.38432 19.7046 -4.38431 22.6972 26.1246 19.7047 26.1247 52.3733 GPRESSAVG: 4175400 -40.911 -2.79417 21.8157 -7.11911 23.3045 27.1722 19.2457 26.8052 51.501 TIMING: 4175400 CPU: 12551.8, 0.00297798/step Wall: 12551.8, 0.00297798/step, 0.682123 hours remaining, 210.472656 MB of memory in use. ENERGY: 4175400 743.2487 2059.3240 1942.7405 104.3427 -205586.1959 17673.3573 0.0000 0.0000 34261.1328 -148802.0499 299.2110 -183063.1827 -148699.6772 299.7097 -73.9350 -41.8006 560091.4977 11.3002 11.2982 PRESSURE: 4175600 -346.764 -86.8514 122.291 -86.8508 -118.032 48.3764 122.29 48.3795 -298.213 GPRESSURE: 4175600 -239.389 -133.75 146.622 -97.3368 -140.383 137.701 214.15 43.9339 -297.744 PRESSAVG: 4175600 37.0931 -27.3507 -11.8696 -27.3506 -42.8399 -6.83341 -11.8696 -6.83345 42.5548 GPRESSAVG: 4175600 37.9642 -27.6053 -10.5183 -25.273 -45.1429 -5.6294 -13.3718 -8.17747 43.2456 TIMING: 4175600 CPU: 12552.4, 0.00298341/step Wall: 12552.4, 0.00298341/step, 0.683201 hours remaining, 210.472656 MB of memory in use. ENERGY: 4175600 732.5505 2056.2303 1917.9229 131.0206 -205529.2575 17414.3091 0.0000 0.0000 34403.2049 -148874.0192 300.4517 -183277.2241 -148776.7562 300.1666 -254.3362 -225.8386 559341.1079 12.2693 12.0223 PRESSURE: 4175800 24.9061 29.7576 -74.219 29.7588 -97.941 184.743 -74.2198 184.744 51.9398 GPRESSURE: 4175800 2.63084 93.2355 -39.6867 76.7158 -40.03 211.869 -66.9743 201.219 103.634 PRESSAVG: 4175800 -43.558 -46.0898 29.1191 -46.0899 -48.0792 -7.38757 29.1191 -7.38761 46.6079 GPRESSAVG: 4175800 -45.5336 -45.4785 26.4069 -47.7483 -45.8972 -7.28779 30.9349 -6.63263 46.2484 TIMING: 4175800 CPU: 12553, 0.00293197/step Wall: 12553, 0.00293197/step, 0.671258 hours remaining, 210.472656 MB of memory in use. ENERGY: 4175800 737.8027 2130.9028 1928.2005 100.6755 -206252.0208 17981.1923 0.0000 0.0000 34276.4403 -149096.8067 299.3447 -183373.2470 -149002.8494 299.3629 -7.0317 22.0782 557371.4292 -15.0098 -15.0608 PRESSURE: 4176000 -39.3975 37.1177 22.7088 37.1184 -122.203 -98.6962 22.7087 -98.6953 -71.9162 GPRESSURE: 4176000 -48.4043 53.2464 24.412 63.5905 -11.1033 -71.4939 -22.438 -153.405 -72.3166 PRESSAVG: 4176000 -14.5175 -12.546 -12.8894 -12.5459 -31.771 1.91654 -12.8895 1.91655 33.335 GPRESSAVG: 4176000 -14.0024 -12.5122 -11.2785 -12.1706 -32.102 0.59149 -13.2809 0.629513 33.0123 TIMING: 4176000 CPU: 12553.6, 0.00294228/step Wall: 12553.6, 0.00294228/step, 0.673456 hours remaining, 210.472656 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: 4176000 790.1520 2038.0048 1936.9339 103.7243 -205678.5165 17536.6105 0.0000 0.0000 34250.1586 -149022.9324 299.1152 -183273.0910 -148921.6571 299.5650 -77.8389 -43.9414 557892.4069 -4.3178 -4.3640 PRESSURE: 4176200 144.144 -52.4601 -47.153 -52.4594 -136.584 49.2193 -47.1529 49.2204 58.4329 GPRESSURE: 4176200 158.259 -59.9606 -23.6578 -146.644 -115.958 14.2307 -25.5102 206.775 117.162 PRESSAVG: 4176200 32.141 30.4714 -7.43928 30.4714 -38.9938 25.1845 -7.4392 25.1845 9.25068 GPRESSAVG: 4176200 32.1843 28.7392 -7.32331 31.4232 -38.8401 24.9094 -9.36308 25.2948 9.50816 TIMING: 4176200 CPU: 12554.2, 0.00294822/step Wall: 12554.2, 0.00294822/step, 0.674652 hours remaining, 210.472656 MB of memory in use. ENERGY: 4176200 809.3875 2046.5441 1951.4372 114.3955 -206751.3660 18181.4089 0.0000 0.0000 34481.3389 -149166.8539 301.1341 -183648.1929 -149062.5106 299.6254 21.9977 53.1542 558014.2484 0.7993 0.9508 LDB: ============= START OF LOAD BALANCING ============== 12557.7 LDB: ============== END OF LOAD BALANCING =============== 12557.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12557.7 LDB: ============= START OF LOAD BALANCING ============== 12558 LDB: Largest compute 4773 load 0.028678 is 24.2% of average load 0.118264 LDB: Average compute 0.001731 is 1.5% of average load 0.118264 LDB: TIME 12558 LOAD: AVG 0.118264 MAX 0.206752 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.93 MB LDB: TIME 12558 LOAD: AVG 0.118264 MAX 0.206752 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.133 MB LDB: TIME 12558 LOAD: AVG 0.118264 MAX 0.206752 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.133 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12558 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12558 PRESSURE: 4176400 -293.736 73.7324 -139.575 73.7328 266.065 -92.3186 -139.577 -92.3182 -56.0738 GPRESSURE: 4176400 -199.474 69.081 -154.545 64.1982 271.586 -85.7532 -82.7126 -59.3789 -64.8109 PRESSAVG: 4176400 -26.1014 -29.8009 19.1606 -29.8009 -25.9649 50.7766 19.1606 50.7766 33.8531 GPRESSAVG: 4176400 -25.4646 -27.2501 19.8063 -29.9636 -26.3683 51.2632 20.2694 50.6398 33.9619 TIMING: 4176400 CPU: 12554.8, 0.0030079/step Wall: 12554.8, 0.0030079/step, 0.688142 hours remaining, 211.253906 MB of memory in use. ENERGY: 4176400 730.1842 2056.6258 1949.6912 109.2167 -206002.6780 17897.5998 0.0000 0.0000 34271.4344 -148987.9258 299.3010 -183259.3602 -148889.8469 299.6711 -27.9149 2.4335 558974.3837 -6.0711 -5.9570 PRESSURE: 4176600 144.698 64.1393 49.4337 64.1392 -94.3517 32.9819 49.4339 32.9824 14.3406 GPRESSURE: 4176600 203.515 78.4656 34.006 50.3729 -47.5361 107.917 -33.4515 -9.70016 16.2066 PRESSAVG: 4176600 36.1138 24.3731 44.6546 24.3731 31.4409 -15.6642 44.6547 -15.6641 -59.2524 GPRESSAVG: 4176600 34.7877 21.8098 42.8813 23.9883 32.5506 -15.5515 45.5074 -17.1921 -58.9708 TIMING: 4176600 CPU: 12555.4, 0.00295874/step Wall: 12555.4, 0.00295874/step, 0.676729 hours remaining, 211.320312 MB of memory in use. ENERGY: 4176600 731.0628 2042.8005 1936.2961 117.4933 -205755.3985 17623.1250 0.0000 0.0000 34218.1398 -149086.4810 298.8355 -183304.6208 -148986.6615 299.4954 21.5623 57.3952 558262.7545 2.7674 2.7892 PRESSURE: 4176800 -222.255 3.64035 18.2486 3.63967 51.0681 2.94453 18.2493 2.944 50.5336 GPRESSURE: 4176800 -203.099 42.6377 5.22556 -63.2182 97.4498 -2.02356 -24.3589 -32.545 75.3129 PRESSAVG: 4176800 -56.8567 18.0794 -26.5846 18.0795 11.6406 11.7859 -26.5844 11.7858 20.0477 GPRESSAVG: 4176800 -56.5605 21.0375 -27.1364 17.1881 10.8777 12.5127 -26.5093 10.9852 20.4229 TIMING: 4176800 CPU: 12555.9, 0.00296373/step Wall: 12555.9, 0.00296373/step, 0.677707 hours remaining, 211.320312 MB of memory in use. ENERGY: 4176800 724.1214 2052.5226 1945.1099 120.0860 -206210.8438 17770.6338 0.0000 0.0000 34401.8589 -149196.5113 300.4400 -183598.3702 -149092.7165 299.7175 -40.2177 -10.1121 558373.8596 -8.3895 -8.4200 PRESSURE: 4177000 -86.6986 165.751 -143.956 165.751 9.94024 -108.119 -143.955 -108.12 40.1784 GPRESSURE: 4177000 -83.5664 144.137 -147.693 184.538 50.7316 -140.903 -151.008 -118.076 85.1142 PRESSAVG: 4177000 42.1161 -33.7879 -13.175 -33.7878 4.81754 12.7378 -13.1749 12.7378 1.51402 GPRESSAVG: 4177000 42.7983 -35.6843 -12.2244 -31.3339 4.99036 12.7264 -15.8039 11.9471 0.914144 TIMING: 4177000 CPU: 12556.5, 0.00296744/step Wall: 12556.5, 0.00296744/step, 0.67839 hours remaining, 211.320312 MB of memory in use. ENERGY: 4177000 743.1913 2106.6879 1944.0584 108.1913 -206522.0676 18008.9826 0.0000 0.0000 34431.9774 -149178.9788 300.7030 -183610.9561 -149081.2794 299.2064 -12.1933 17.4265 557732.9657 16.1492 16.2343 PRESSURE: 4177200 -154.828 -50.3316 -120.344 -50.3313 -128.267 138.389 -120.344 138.389 275.271 GPRESSURE: 4177200 -147.77 -7.85944 -72.871 -78.24 -76.7121 126.888 -156.157 150.803 310.767 PRESSAVG: 4177200 35.2232 26.4222 -5.41155 26.4222 -12.8704 8.6029 -5.41158 8.60299 -29.6801 GPRESSAVG: 4177200 34.2128 24.5506 -6.2725 26.7559 -12.3918 7.26615 -3.83269 10.7311 -29.1437 TIMING: 4177200 CPU: 12557.1, 0.00297614/step Wall: 12557.1, 0.00297614/step, 0.680212 hours remaining, 211.320312 MB of memory in use. ENERGY: 4177200 725.2698 2071.4923 1942.6621 111.9089 -206253.7851 17731.0074 0.0000 0.0000 34377.1200 -149294.3246 300.2239 -183671.4446 -149197.3190 300.0375 -2.6083 28.7616 558613.6148 -2.4424 -2.4409 PRESSURE: 4177400 -356.243 -238.527 -42.8483 -238.527 -76.4183 130.123 -42.8474 130.122 -201.073 GPRESSURE: 4177400 -315.427 -174.243 -19.3551 -168.702 -61.6992 119.866 76.8684 121.366 -147.715 PRESSAVG: 4177400 -30.5113 -14.1202 -1.15319 -14.1201 -63.3177 32.8069 -1.15318 32.8067 69.3962 GPRESSAVG: 4177400 -30.0973 -12.5587 -0.383555 -15.7673 -62.51 31.8616 0.0415434 32.4536 68.6099 TIMING: 4177400 CPU: 12557.7, 0.00299015/step Wall: 12557.7, 0.00299015/step, 0.68325 hours remaining, 211.320312 MB of memory in use. ENERGY: 4177400 764.8494 2064.7709 1944.2314 120.9200 -205924.2475 17484.4115 0.0000 0.0000 34283.7473 -149261.3171 299.4085 -183545.0644 -149168.0410 299.2997 -211.2448 -174.9472 558588.6796 -8.1443 -7.9991 PRESSURE: 4177600 288.637 104.909 133.728 104.909 63.8395 135.543 133.729 135.545 72.333 GPRESSURE: 4177600 345.788 146.626 147.073 61.0098 83.4861 179.362 143.263 113.127 97.4477 PRESSAVG: 4177600 40.2477 23.3371 -21.8758 23.3371 -67.101 5.07008 -21.8759 5.07015 18.2852 GPRESSAVG: 4177600 41.1654 24.5641 -21.1311 22.1726 -67.8506 5.84934 -22.3323 6.74511 18.9493 TIMING: 4177600 CPU: 12558.3, 0.00298354/step Wall: 12558.3, 0.00298354/step, 0.681574 hours remaining, 211.320312 MB of memory in use. ENERGY: 4177600 683.4100 2096.3735 1937.2968 129.5842 -206344.8267 17957.3207 0.0000 0.0000 34344.1423 -149196.6991 299.9359 -183540.8414 -149107.6977 299.2360 141.6032 175.5738 557320.7494 -2.8560 -2.5787 PRESSURE: 4177800 84.1225 -35.8164 -78.5274 -35.8159 185.675 -83.6535 -78.5272 -83.654 219.518 GPRESSURE: 4177800 143.596 -51.4816 -95.8854 -55.7476 175.31 -53.6163 -56.349 -93.6454 258.042 PRESSAVG: 4177800 69.2772 -33.2542 46.1391 -33.2542 -102.992 -1.31122 46.139 -1.31122 4.50507 GPRESSAVG: 4177800 68.077 -35.3314 44.0428 -33.7822 -101.723 -0.774265 46.3539 -1.9686 3.96599 TIMING: 4177800 CPU: 12558.9, 0.00303337/step Wall: 12558.9, 0.00303337/step, 0.692789 hours remaining, 211.320312 MB of memory in use. ENERGY: 4177800 713.1602 2128.2939 1940.9802 118.5943 -205986.3339 17829.8203 0.0000 0.0000 34020.2701 -149235.2150 297.1075 -183255.4851 -149146.8699 298.7875 163.1052 192.3159 557549.3087 -9.7365 -9.8934 PRESSURE: 4178000 -149.364 -141.165 72.073 -141.165 -159.325 -22.2893 72.0735 -22.2894 -147.729 GPRESSURE: 4178000 -114.319 -117.681 119.662 -38.868 -112.798 -73.9731 113.616 92.112 -136.208 PRESSAVG: 4178000 17.175 -5.73156 -25.7092 -5.73147 -85.2546 -37.7064 -25.7092 -37.7064 109.978 GPRESSAVG: 4178000 17.8086 -4.37088 -23.0066 -4.69855 -85.4729 -37.8161 -27.4804 -37.3772 109.837 TIMING: 4178000 CPU: 12559.5, 0.00300734/step Wall: 12559.5, 0.00300734/step, 0.686677 hours remaining, 211.320312 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: 4178000 728.9679 2153.8061 1941.2629 120.7579 -205872.3136 17379.4821 0.0000 0.0000 34214.6654 -149333.3715 298.8052 -183548.0368 -149236.0653 299.0287 -152.1391 -121.1083 557402.1719 13.9661 14.0577 PRESSURE: 4178200 -83.3363 -18.9938 -62.3596 -18.9932 29.9331 -107.005 -62.3595 -107.007 -60.7278 GPRESSURE: 4178200 -53.5059 15.8955 18.9471 -70.9378 37.1536 -131.449 -132.171 -35.8988 2.54016 PRESSAVG: 4178200 -55.353 -8.43716 -9.91685 -8.43712 37.6962 39.7816 -9.91701 39.7816 32.832 GPRESSAVG: 4178200 -55.2375 -8.12598 -10.8496 -9.54083 36.9664 40.4083 -9.59003 39.7935 33.3761 TIMING: 4178200 CPU: 12560.1, 0.00300217/step Wall: 12560.1, 0.00300217/step, 0.685329 hours remaining, 211.320312 MB of memory in use. ENERGY: 4178200 733.7370 2092.5931 1947.2485 106.0815 -206236.1754 17815.6375 0.0000 0.0000 34232.2115 -149308.6663 298.9584 -183540.8778 -149214.2504 298.0829 -38.0437 -4.6041 558542.3620 5.0584 5.0350 PRESSURE: 4178400 -273.975 132.218 8.08851 132.218 -28.1633 2.48851 8.08933 2.48746 -109.713 GPRESSURE: 4178400 -273.447 273.003 -24.7994 35.7455 16.7327 -22.5801 5.32293 13.8315 -59.4746 PRESSAVG: 4178400 -5.34123 -0.9905 8.09193 -0.990434 102.895 43.2357 8.09193 43.2356 -67.7288 GPRESSAVG: 4178400 -6.3915 -3.00651 8.33062 1.95326 103.746 43.7495 7.72137 43.0229 -67.6537 TIMING: 4178400 CPU: 12560.7, 0.00301931/step Wall: 12560.7, 0.00301932/step, 0.689075 hours remaining, 211.320312 MB of memory in use. ENERGY: 4178400 756.8933 2037.2141 1929.8198 104.4608 -206036.4257 17549.0290 0.0000 0.0000 34352.0291 -149306.9796 300.0048 -183659.0086 -149207.6911 298.9286 -137.2836 -105.3963 556623.7652 9.9415 9.9003 PRESSURE: 4178600 85.8107 228.307 -47.4751 228.308 -55.6691 -137.486 -47.4743 -137.485 2.85978 GPRESSURE: 4178600 120.96 137.669 -35.8766 321.188 -45.9439 -198.078 -20.5821 -114.064 48.4905 PRESSAVG: 4178600 -34.6927 -11.8281 -72.0011 -11.8281 17.372 27.4375 -72.0012 27.4376 34.0407 GPRESSAVG: 4178600 -33.9766 -9.75474 -72.9663 -12.7896 16.28 27.0126 -72.3257 26.8509 34.3538 TIMING: 4178600 CPU: 12561.3, 0.00298374/step Wall: 12561.3, 0.00298374/step, 0.680791 hours remaining, 211.320312 MB of memory in use. ENERGY: 4178600 731.3263 2014.5348 1964.8832 103.1652 -206065.0211 17684.8368 0.0000 0.0000 34223.9672 -149342.3075 298.8864 -183566.2748 -149241.6902 299.0472 11.0005 41.1690 557535.2679 5.5733 5.5524 PRESSURE: 4178800 138.25 -66.6754 -54.1233 -66.6749 118.286 68.9753 -54.1227 68.9759 -12.952 GPRESSURE: 4178800 167.73 -47.3564 -144.929 -129.188 103.44 0.0584511 9.6831 99.6095 73.6953 PRESSAVG: 4178800 -3.62927 -9.01535 -29.0923 -9.01534 -39.859 6.27991 -29.0923 6.27996 38.954 GPRESSAVG: 4178800 -2.35116 -10.031 -30.099 -9.38789 -39.9103 6.30532 -28.7682 5.79677 38.041 TIMING: 4178800 CPU: 12561.9, 0.0029676/step Wall: 12561.9, 0.0029676/step, 0.676944 hours remaining, 211.320312 MB of memory in use. ENERGY: 4178800 707.7269 2059.4470 1939.3857 107.8425 -206298.5757 17833.2988 0.0000 0.0000 34257.8187 -149393.0561 299.1821 -183650.8748 -149304.0217 297.8268 81.1948 114.9553 557828.7581 -1.5114 -1.4068 PRESSURE: 4179000 -370.991 -33.3214 -24.4545 -33.321 -277.955 -41.5555 -24.4536 -41.5564 -128.541 GPRESSURE: 4179000 -330.495 -44.4512 -1.36403 12.447 -258.926 -32.169 -36.1395 -134.048 -97.7533 PRESSAVG: 4179000 15.8735 7.82309 -80.5035 7.82315 -16.7025 -34.462 -80.5036 -34.4621 -11.9666 GPRESSAVG: 4179000 14.6531 10.0978 -79.1608 6.53637 -15.699 -33.3886 -81.2361 -34.4752 -12.0038 TIMING: 4179000 CPU: 12562.5, 0.00298705/step Wall: 12562.5, 0.00298705/step, 0.681212 hours remaining, 211.320312 MB of memory in use. ENERGY: 4179000 751.5504 2064.8498 1952.5432 107.0542 -206088.8022 17520.8363 0.0000 0.0000 34198.7741 -149493.1943 298.6664 -183691.9684 -149396.2027 298.6410 -259.1621 -229.0580 559190.9055 -4.2652 -4.3499 PRESSURE: 4179200 292.562 84.4681 34.3726 84.4693 267.118 -167.448 34.3725 -167.446 184.456 GPRESSURE: 4179200 317.634 107.964 -16.9458 23.421 313.5 -42.5169 38.72 -161.384 197.922 PRESSAVG: 4179200 39.9849 7.00443 -8.4023 7.00442 -32.8363 -56.8828 -8.40232 -56.8828 4.62342 GPRESSAVG: 4179200 40.4116 5.40147 -9.8369 8.18649 -33.7039 -57.3487 -5.95266 -56.813 5.28844 TIMING: 4179200 CPU: 12563.1, 0.00297071/step Wall: 12563.1, 0.00297071/step, 0.677322 hours remaining, 211.320312 MB of memory in use. ENERGY: 4179200 732.0058 2073.0042 1922.4236 121.5502 -206923.4822 18360.7220 0.0000 0.0000 34444.1051 -149269.6712 300.8089 -183713.7764 -149177.1130 298.7907 248.0452 276.3520 555495.7256 3.9240 3.9987 PRESSURE: 4179400 -201.931 -87.1169 -106.433 -87.1167 -91.7793 42.6787 -106.434 42.6788 73.5031 GPRESSURE: 4179400 -152.52 -7.80115 -70.6162 -105.231 -39.0912 34.5142 -81.5603 -43.1894 71.5091 PRESSAVG: 4179400 -17.4175 43.1696 2.66158 43.1695 -30.5133 7.20034 2.66147 7.20022 40.5856 GPRESSAVG: 4179400 -18.0012 42.5651 3.82575 43.1434 -30.3192 4.72084 1.6099 6.69052 40.8161 TIMING: 4179400 CPU: 12563.7, 0.0029592/step Wall: 12563.7, 0.0029592/step, 0.674533 hours remaining, 211.320312 MB of memory in use. ENERGY: 4179400 771.7458 2049.6602 1943.0287 100.6027 -206407.3119 17866.0282 0.0000 0.0000 34295.9708 -149380.2754 299.5152 -183676.2462 -149284.4400 298.5042 -73.4023 -40.0341 556695.7024 -2.4484 -2.5014 PRESSURE: 4179600 116.123 13.6902 63.9225 13.6909 7.60384 -18.6608 63.9222 -18.6618 -179.29 GPRESSURE: 4179600 139.857 -44.2345 159.263 42.6728 30.2733 -92.0207 2.48927 4.16447 -133.836 PRESSAVG: 4179600 20.9736 38.275 2.12096 38.275 -3.55718 20.6327 2.12092 20.6327 -11.4281 GPRESSAVG: 4179600 20.7985 38.9778 2.47857 39.4475 -3.33936 21.2093 2.47467 23.1225 -11.2487 TIMING: 4179600 CPU: 12564.3, 0.00297181/step Wall: 12564.3, 0.00297181/step, 0.677243 hours remaining, 211.320312 MB of memory in use. ENERGY: 4179600 790.1979 2051.3741 1929.0256 99.5503 -206213.7394 17835.1173 0.0000 0.0000 34160.1989 -149348.2753 298.3295 -183508.4741 -149245.6798 299.2513 -18.5212 12.0984 556157.4314 1.9961 2.0701 PRESSURE: 4179800 394.418 43.8512 -20.4169 43.8509 242.591 68.6385 -20.4163 68.64 158.414 GPRESSURE: 4179800 391.593 38.0839 55.8445 53.9266 295.251 17.3461 45.9564 106.908 199.518 PRESSAVG: 4179800 106.003 31.8527 20.2114 31.8527 -61.0021 39.4433 20.2114 39.4433 -20.0051 GPRESSAVG: 4179800 106.128 33.138 20.1254 30.5 -61.45 42.2558 19.7305 37.0156 -19.2142 TIMING: 4179800 CPU: 12564.9, 0.00299301/step Wall: 12564.9, 0.00299301/step, 0.681907 hours remaining, 211.320312 MB of memory in use. ENERGY: 4179800 751.9863 2090.8007 1944.2677 119.9124 -206599.4625 17991.4621 0.0000 0.0000 34360.2557 -149340.7777 300.0767 -183701.0334 -149241.6222 298.6953 265.1413 295.4539 555110.2159 8.3321 8.4880 PRESSURE: 4180000 179.906 -70.494 199.45 -70.4948 196.532 -80.1742 199.452 -80.1735 -95.5036 GPRESSURE: 4180000 269.744 37.4506 93.0027 -22.9965 223.633 -95.9817 138.102 42.7904 -122.717 PRESSAVG: 4180000 77.461 -2.57018 -4.08804 -2.57011 -2.7156 14.7196 -4.08811 14.7196 -80.5888 GPRESSAVG: 4180000 77.5386 -4.99129 -2.11175 -1.71284 -2.53453 11.4508 -5.4391 15.019 -80.7791 TIMING: 4180000 CPU: 12565.5, 0.00300801/step Wall: 12565.5, 0.00300801/step, 0.685158 hours remaining, 211.320312 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: 4180000 730.6801 2066.5997 1953.6094 110.0832 -206169.6643 17758.9134 0.0000 0.0000 34251.5238 -149298.2547 299.1271 -183549.7785 -149196.5732 299.0810 93.6450 123.5532 556070.1862 -1.9478 -1.9250 PRESSURE: 4180200 -93.0594 -358.175 185.216 -358.174 -157.28 -210.613 185.215 -210.614 -312.13 GPRESSURE: 4180200 -73.185 -443.815 91.7979 -172.244 -124.712 -191.215 215.685 -210.741 -273.009 PRESSAVG: 4180200 -1.98743 -21.3206 11.2665 -21.3206 -24.1332 26.2549 11.2665 26.255 20.7836 GPRESSAVG: 4180200 -1.90937 -20.3536 8.37399 -21.9896 -22.849 25.7221 11.2981 28.9164 19.6847 TIMING: 4180200 CPU: 12566.1, 0.0030165/step Wall: 12566.1, 0.0030165/step, 0.686924 hours remaining, 211.515625 MB of memory in use. ENERGY: 4180200 788.8437 2143.0581 1939.2300 114.6597 -206151.0441 17522.3383 0.0000 0.0000 34376.8670 -149266.0473 300.2217 -183642.9143 -149175.5953 299.5189 -187.4899 -156.9685 556611.9804 -1.7790 -1.6912 LDB: ============= START OF LOAD BALANCING ============== 12569.6 LDB: ============== END OF LOAD BALANCING =============== 12569.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12569.6 LDB: ============= START OF LOAD BALANCING ============== 12569.9 LDB: Largest compute 4802 load 0.030538 is 25.8% of average load 0.118191 LDB: Average compute 0.001730 is 1.5% of average load 0.118191 LDB: TIME 12569.9 LOAD: AVG 0.118191 MAX 0.213405 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.383 MB LDB: TIME 12569.9 LOAD: AVG 0.118191 MAX 0.213405 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.387 MB LDB: TIME 12569.9 LOAD: AVG 0.118191 MAX 0.213405 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.387 MB LDB: ============== END OF LOAD BALANCING =============== 12569.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12569.9 PRESSURE: 4180400 -197.63 97.93 -141.333 97.9302 31.4036 -44.5359 -141.333 -44.5347 12.6431 GPRESSURE: 4180400 -146.805 34.4497 -109.408 117.823 58.7193 -143.779 -186.217 13.1011 44.9081 PRESSAVG: 4180400 -25.242 55.0942 22.8767 55.0942 6.88186 -41.3532 22.8767 -41.3532 36.5145 GPRESSAVG: 4180400 -24.5284 53.0893 24.2846 56.4506 6.4121 -38.6666 24.8066 -43.6978 35.8848 TIMING: 4180400 CPU: 12566.7, 0.00306766/step Wall: 12566.7, 0.00306766/step, 0.698404 hours remaining, 208.796875 MB of memory in use. ENERGY: 4180400 756.2049 2156.4223 1936.3550 109.5909 -206547.7576 17880.4722 0.0000 0.0000 34342.9274 -149365.7848 299.9253 -183708.7122 -149271.7591 299.8234 -51.1944 -14.3925 556033.3900 6.0515 5.9228 PRESSURE: 4180600 -370.506 120.229 -40.2204 120.229 131.018 65.0763 -40.2201 65.0771 -265.735 GPRESSURE: 4180600 -310.038 -30.9607 -41.1853 160.844 65.0764 15.8993 10.8781 113.676 -155.096 PRESSAVG: 4180600 -77.9018 49.1903 -33.2226 49.1904 -2.93708 -24.5935 -33.2226 -24.5934 76.4815 GPRESSAVG: 4180600 -78.4098 47.8801 -33.778 49.7263 -4.6572 -29.2444 -34.3191 -22.7873 78.8381 TIMING: 4180600 CPU: 12567.3, 0.00297794/step Wall: 12567.3, 0.00297794/step, 0.677812 hours remaining, 208.796875 MB of memory in use. ENERGY: 4180600 736.0487 2113.1408 1959.0129 109.4250 -206244.9733 17703.2182 0.0000 0.0000 34086.1532 -149537.9746 297.6829 -183624.1277 -149441.4504 298.8928 -168.4076 -133.3526 557890.2217 -1.4524 -1.4096 PRESSURE: 4180800 -169.3 18.7524 59.528 18.7522 -203.384 158.889 59.5266 158.888 -352.081 GPRESSURE: 4180800 -156.176 1.65834 6.40188 -27.2634 -157.87 168.453 29.2519 139.567 -313.992 PRESSAVG: 4180800 0.00977481 13.085 -25.9517 13.085 18.8728 23.5566 -25.9517 23.5564 -24.8703 GPRESSAVG: 4180800 -0.575232 15.425 -25.7388 9.80433 20.7536 26.819 -26.4998 22.8197 -26.7641 TIMING: 4180800 CPU: 12567.9, 0.00296314/step Wall: 12567.9, 0.00296314/step, 0.674278 hours remaining, 208.796875 MB of memory in use. ENERGY: 4180800 734.7917 2083.4032 1922.4937 110.9005 -205943.3790 17378.0581 0.0000 0.0000 34219.5652 -149494.1666 298.8480 -183713.7318 -149401.2576 298.7696 -241.5885 -209.3461 556120.5885 -1.9959 -2.1952 PRESSURE: 4181000 -194.281 4.6183 84.3138 4.61716 -314.776 -132.377 84.3134 -132.375 -51.3879 GPRESSURE: 4181000 -142.631 4.32478 -4.76059 -77.7677 -281.779 -112.784 102.468 -102.61 -38.9146 PRESSAVG: 4181000 -17.7565 -23.1093 -0.767136 -23.1094 -4.7006 -1.61432 -0.767224 -1.6144 2.86851 GPRESSAVG: 4181000 -17.8823 -24.311 -1.75634 -21.6198 -4.27587 -1.15118 1.71695 -2.76938 2.50225 TIMING: 4181000 CPU: 12568.5, 0.00295799/step Wall: 12568.5, 0.00295799/step, 0.672943 hours remaining, 208.796875 MB of memory in use. ENERGY: 4181000 765.1358 2049.5521 1964.0503 104.3025 -206213.5051 17616.5465 0.0000 0.0000 34216.3980 -149497.5200 298.8203 -183713.9180 -149395.9858 298.6875 -186.8152 -154.4414 558229.3329 -6.5295 -6.5520 PRESSURE: 4181200 167.732 144.352 95.1545 144.351 42.9945 -44.2627 95.1547 -44.2613 -175.873 GPRESSURE: 4181200 134.198 82.1846 37.9787 91.0864 129.777 -71.5295 144.374 59.2364 -142.931 PRESSAVG: 4181200 3.89089 6.81272 -3.45903 6.8128 -6.67915 -0.512731 -3.45903 -0.512886 4.27124 GPRESSAVG: 4181200 3.62747 6.03018 -2.53109 5.96336 -6.43867 -1.206 -4.69429 1.26707 4.11644 TIMING: 4181200 CPU: 12569.1, 0.00297133/step Wall: 12569.1, 0.00297133/step, 0.675812 hours remaining, 208.796875 MB of memory in use. ENERGY: 4181200 781.0075 2074.0124 1940.4440 100.0714 -206450.4930 17955.2370 0.0000 0.0000 34056.5110 -149543.2097 297.4240 -183599.7207 -149436.0679 298.3591 11.6177 40.3479 557727.4441 0.4943 0.4351 PRESSURE: 4181400 192.233 -23.189 -32.5231 -23.1872 32.7769 182.314 -32.5243 182.314 -340.749 GPRESSURE: 4181400 173.477 -56.4622 -2.64629 21.9075 91.2782 184.482 -69.5759 169.307 -287.831 PRESSAVG: 4181400 55.2937 -9.39604 -4.01613 -9.39606 15.3971 -8.48677 -4.01616 -8.48671 -70.4277 GPRESSAVG: 4181400 54.9343 -8.80782 -6.96487 -8.17891 15.6493 -8.96831 -4.31836 -8.40129 -70.4709 TIMING: 4181400 CPU: 12569.7, 0.00298388/step Wall: 12569.7, 0.00298388/step, 0.678501 hours remaining, 208.796875 MB of memory in use. ENERGY: 4181400 762.4987 2089.3933 1895.0226 108.1274 -206279.1286 17766.3027 0.0000 0.0000 34009.9750 -149647.8089 297.0176 -183657.7839 -149552.2004 298.1567 -38.5795 -7.6921 557389.0616 0.0877 0.0376 PRESSURE: 4181600 -36.5415 -8.50086 -92.5018 -8.50068 -186.593 144.205 -92.5008 144.205 -151.342 GPRESSURE: 4181600 2.97158 -10.3511 -51.6335 68.1948 -172.585 113.995 -73.2947 107.834 -115.967 PRESSAVG: 4181600 97.207 -31.2246 -61.6892 -31.2246 34.3666 -1.05961 -61.6891 -1.05939 -96.4128 GPRESSAVG: 4181600 96.9288 -31.5319 -59.3328 -31.2175 34.799 -2.26033 -62.8326 -1.09889 -95.8259 TIMING: 4181600 CPU: 12570.3, 0.00297683/step Wall: 12570.3, 0.00297683/step, 0.676732 hours remaining, 208.796875 MB of memory in use. ENERGY: 4181600 748.0306 2040.1039 1913.8914 120.1306 -206552.1202 17707.3866 0.0000 0.0000 34378.9859 -149643.5913 300.2402 -184022.5771 -149540.6932 298.2554 -124.8257 -95.1935 557091.0209 11.7202 11.9673 PRESSURE: 4181800 55.1933 228.008 -231.923 228.007 32.6386 14.7047 -231.922 14.7037 157.844 GPRESSURE: 4181800 63.4771 227.991 -233.504 212.809 53.7877 17.6378 -231.315 48.5054 235.007 PRESSAVG: 4181800 48.4784 35.6116 -47.3308 35.6116 15.7102 4.34857 -47.3307 4.34858 -69.5465 GPRESSAVG: 4181800 49.5051 36.1588 -47.0917 33.4003 16.0585 5.99599 -47.9578 4.33701 -70.427 TIMING: 4181800 CPU: 12570.9, 0.00296722/step Wall: 12570.9, 0.00296722/step, 0.674382 hours remaining, 208.796875 MB of memory in use. ENERGY: 4181800 726.9208 2051.2498 1923.6491 111.0339 -206589.5588 18050.4068 0.0000 0.0000 34158.3466 -149567.9518 298.3133 -183726.2985 -149467.4084 298.4328 81.8920 117.4241 558743.7962 -1.7860 -1.6211 PRESSURE: 4182000 -139.024 34.1733 -129.059 34.1724 146.322 -47.8578 -129.059 -47.8586 -113.562 GPRESSURE: 4182000 -109.657 16.6572 -97.859 37.6588 163.043 -21.4476 -119.249 -105.041 -71.9849 PRESSAVG: 4182000 33.3128 35.1143 -41.9287 35.1142 63.341 4.48102 -41.9287 4.48088 -77.302 GPRESSAVG: 4182000 33.4987 36.8111 -42.2002 37.6756 62.7681 6.29261 -38.5131 3.60025 -76.7128 TIMING: 4182000 CPU: 12571.5, 0.003002/step Wall: 12571.5, 0.003002/step, 0.682122 hours remaining, 208.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4182000 725.0593 2107.4388 1940.2679 119.6079 -206230.4098 17833.2717 0.0000 0.0000 34096.3454 -149408.4188 297.7719 -183504.7642 -149322.1820 298.6233 -35.4213 -6.1996 558726.3010 6.4506 6.5180 PRESSURE: 4182200 -141.465 135.429 -38.8625 135.43 4.69261 50.0822 -38.8627 50.0842 -11.6241 GPRESSURE: 4182200 -72.0319 127.144 55.0022 74.4518 38.6559 2.98588 -101.522 75.966 -19.6946 PRESSAVG: 4182200 -57.812 36.1064 -21.6451 36.1063 13.2353 3.82536 -21.6452 3.82537 -12.3752 GPRESSAVG: 4182200 -57.9296 34.6178 -20.8129 35.7952 13.7714 2.24592 -24.0928 4.5346 -12.7244 TIMING: 4182200 CPU: 12572.1, 0.00299953/step Wall: 12572.1, 0.00299953/step, 0.681392 hours remaining, 208.796875 MB of memory in use. ENERGY: 4182200 761.0948 2121.8231 1943.2324 116.2297 -206254.4470 17836.9692 0.0000 0.0000 34029.5712 -149445.5265 297.1887 -183475.0977 -149343.6973 298.6346 -49.4656 -17.6902 557784.6423 -18.9840 -18.9609 PRESSURE: 4182400 -21.72 -172.715 46.8161 -172.715 -127.413 -123.62 46.8161 -123.62 72.1406 GPRESSURE: 4182400 24.2315 -133.319 49.3575 -141.2 -66.3379 -58.2995 -48.2167 -156.63 80.0755 PRESSAVG: 4182400 31.3164 35.1404 -17.2891 35.1404 30.3014 28.1082 -17.289 28.1084 -46.9548 GPRESSAVG: 4182400 32.3578 36.6005 -16.9932 33.159 29.6331 25.7841 -16.5787 29.8055 -47.3705 TIMING: 4182400 CPU: 12572.7, 0.00295968/step Wall: 12572.7, 0.00295968/step, 0.672175 hours remaining, 208.796875 MB of memory in use. ENERGY: 4182400 752.9444 2091.3272 1921.8493 115.1891 -206558.1539 18008.6702 0.0000 0.0000 34320.8758 -149347.2978 299.7327 -183668.1736 -149249.3590 298.6463 -25.6641 12.6563 558923.5090 4.8877 4.8734 PRESSURE: 4182600 24.1129 59.855 -31.3954 59.8527 215.386 2.52054 -31.3962 2.52082 28.9995 GPRESSURE: 4182600 109.467 100.972 23.3016 45.841 227.63 -84.8976 -133.747 117.064 33.909 PRESSAVG: 4182600 20.9324 9.01526 -33.5408 9.01525 1.90761 26.9997 -33.5408 26.9998 -22.9648 GPRESSAVG: 4182600 20.6096 7.22672 -33.7317 10.5232 1.28886 30.4549 -34.1971 23.7494 -22.3701 TIMING: 4182600 CPU: 12573.3, 0.00300231/step Wall: 12573.3, 0.00300231/step, 0.681692 hours remaining, 208.796875 MB of memory in use. ENERGY: 4182600 719.5879 2049.8175 1923.0990 123.4835 -206246.4867 18013.5468 0.0000 0.0000 34059.2142 -149357.7379 297.4476 -183416.9520 -149254.0890 298.7111 89.4995 123.6687 558446.5610 -0.0416 -0.1572 PRESSURE: 4182800 -402.537 -20.9144 33.7829 -20.9139 -112.9 20.5366 33.783 20.5368 -174.702 GPRESSURE: 4182800 -393.904 -51.8894 31.026 -16.3663 -116.737 -7.74492 -47.8078 12.0159 -77.2734 PRESSAVG: 4182800 -70.0144 6.71106 -60.7198 6.71103 64.8685 -63.8902 -60.7199 -63.8901 -13.486 GPRESSAVG: 4182800 -71.2619 7.39957 -62.5385 5.9226 66.5142 -65.2739 -60.1914 -62.921 -13.6628 TIMING: 4182800 CPU: 12573.9, 0.00297729/step Wall: 12573.9, 0.00297729/step, 0.675845 hours remaining, 208.796875 MB of memory in use. ENERGY: 4182800 746.2803 2091.4355 1943.4407 124.5593 -205490.0710 17285.4434 0.0000 0.0000 34109.4553 -149189.4565 297.8864 -183298.9118 -149091.4334 299.0060 -230.0461 -195.9716 557984.5681 -6.2106 -6.1368 PRESSURE: 4183000 -192.808 -57.2574 14.6004 -57.2583 -20.0917 -40.1074 14.6009 -40.1086 -212.429 GPRESSURE: 4183000 -184.502 -83.5343 -27.3498 -63.7791 -45.1723 -14.8685 -12.3473 -18.7205 -92.341 PRESSAVG: 4183000 -12.299 -8.98825 -2.05896 -8.98821 3.06753 -18.8743 -2.05893 -18.8744 13.1065 GPRESSAVG: 4183000 -12.0434 -8.69164 -0.546565 -10.2039 2.11746 -19.7442 -0.593572 -18.0348 13.488 TIMING: 4183000 CPU: 12574.5, 0.00297689/step Wall: 12574.5, 0.00297689/step, 0.675588 hours remaining, 208.796875 MB of memory in use. ENERGY: 4183000 731.4476 2108.9721 1951.7118 122.4100 -206166.3435 17722.9121 0.0000 0.0000 34254.9228 -149273.9672 299.1568 -183528.8900 -149171.0125 299.1901 -141.7763 -107.3383 559189.4331 1.2917 1.1873 PRESSURE: 4183200 -99.7194 53.2066 -15.3299 53.2076 -94.629 -129.374 -15.33 -129.374 189.171 GPRESSURE: 4183200 -95.15 38.3467 -7.13439 -9.58642 -75.7473 -104.974 33.5469 -54.7309 258.885 PRESSAVG: 4183200 -4.98164 -9.28812 -58.8161 -9.28808 15.6153 -49.885 -58.8161 -49.885 -18.962 GPRESSAVG: 4183200 -5.67892 -7.93379 -57.3326 -9.98861 16.9272 -47.0567 -60.2393 -50.8239 -19.2247 TIMING: 4183200 CPU: 12575.1, 0.00299031/step Wall: 12575.1, 0.00299031/step, 0.678468 hours remaining, 208.796875 MB of memory in use. ENERGY: 4183200 747.4476 2076.1379 1933.7955 103.3911 -206319.7708 18003.8928 0.0000 0.0000 34312.0516 -149143.0544 299.6557 -183455.1060 -149045.2582 299.1028 -1.7258 29.3291 559866.7339 -2.7761 -2.6588 PRESSURE: 4183400 -413.91 -219.713 172.373 -219.714 -162.071 -180.869 172.373 -180.869 -361.345 GPRESSURE: 4183400 -379.415 -193.958 31.1173 -167.202 -140.895 -99.3514 223.733 -197.254 -321.595 PRESSAVG: 4183400 -15.0776 52.2415 -26.4961 52.2415 -21.9568 9.92664 -26.496 9.92667 1.4736 GPRESSAVG: 4183400 -14.2165 49.211 -29.2425 55.0576 -23.0959 9.76856 -24.3842 11.5851 2.16611 TIMING: 4183400 CPU: 12575.7, 0.0030137/step Wall: 12575.7, 0.0030137/step, 0.683607 hours remaining, 208.796875 MB of memory in use. ENERGY: 4183400 778.6870 2088.2687 1915.8907 116.5221 -205504.8509 17336.7128 0.0000 0.0000 34117.9988 -149150.7708 297.9610 -183268.7696 -149053.1360 298.8215 -312.4418 -280.6351 558514.1895 -11.8536 -11.7154 PRESSURE: 4183600 -183.394 44.4422 -20.1692 44.4422 -237.516 2.53535 -20.1702 2.53511 49.6291 GPRESSURE: 4183600 -195.958 45.1103 10.0758 132.634 -159.041 53.0416 -35.0399 -32.6601 76.7085 PRESSAVG: 4183600 14.9409 -49.0059 10.6843 -49.0058 -49.662 1.14609 10.6843 1.14594 55.3606 GPRESSAVG: 4183600 15.2692 -47.8135 8.71601 -51.8757 -48.6726 0.558463 9.75508 0.0416357 54.1902 TIMING: 4183600 CPU: 12576.3, 0.00300279/step Wall: 12576.3, 0.0030028/step, 0.680967 hours remaining, 209.000000 MB of memory in use. ENERGY: 4183600 728.4103 2147.1442 1891.3141 109.2578 -205787.0650 17627.9726 0.0000 0.0000 34136.7034 -149146.2626 298.1243 -183282.9660 -149045.3390 299.5015 -123.7603 -92.7635 557753.9239 6.8799 6.9289 PRESSURE: 4183800 25.9218 -34.3312 -11.4383 -34.3306 -248.335 165.62 -11.4378 165.619 -66.745 GPRESSURE: 4183800 46.9359 -70.5007 41.1815 -41.9276 -207.952 167.867 -133.916 152.392 -21.9893 PRESSAVG: 4183800 50.9759 -24.5257 30.9026 -24.5257 -7.6212 3.7269 30.9026 3.72694 -33.3194 GPRESSAVG: 4183800 51.4741 -26.1202 32.204 -22.6123 -8.85959 3.49652 30.1028 2.67467 -32.6532 TIMING: 4183800 CPU: 12576.9, 0.00298269/step Wall: 12576.9, 0.00298269/step, 0.676242 hours remaining, 209.000000 MB of memory in use. ENERGY: 4183800 747.7992 2020.2973 1927.3001 116.6333 -206094.6181 17849.9346 0.0000 0.0000 34215.7877 -149216.8658 298.8150 -183432.6535 -149118.7647 299.5348 -96.3860 -61.0018 558710.3182 3.3451 3.3205 PRESSURE: 4184000 158.955 -40.5755 51.3265 -40.5744 -21.263 31.2844 51.3284 31.2845 194.826 GPRESSURE: 4184000 193.929 -66.3737 86.906 -38.2432 44.5311 52.5251 118.386 58.0234 181.367 PRESSAVG: 4184000 43.4192 -4.3279 16.0038 -4.32788 -63.815 14.453 16.0038 14.453 46.5543 GPRESSAVG: 4184000 43.1763 -3.11242 17.1418 -4.80602 -63.4951 12.6975 16.3864 16.713 45.9674 TIMING: 4184000 CPU: 12577.5, 0.00295939/step Wall: 12577.5, 0.00295939/step, 0.670796 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: 4184000 708.1855 2085.5444 1925.7406 100.6104 -206341.8997 17997.8697 0.0000 0.0000 34227.4495 -149296.4995 298.9168 -183523.9490 -149206.7610 298.6054 110.8393 139.9422 557709.8702 8.7195 8.5495 PRESSURE: 4184200 132.39 -71.4309 57.5615 -71.4314 97.3066 90.6592 57.562 90.6603 13.762 GPRESSURE: 4184200 122.025 -55.9277 8.67083 -20.7885 172.553 42.8083 97.1843 152.379 44.8916 PRESSAVG: 4184200 -29.938 53.018 -2.29443 53.018 19.2338 18.6569 -2.29436 18.657 -28.0978 GPRESSAVG: 4184200 -30.925 54.6411 -4.63669 52.9295 20.2248 21.4679 0.198303 17.1952 -27.8449 TIMING: 4184200 CPU: 12578.1, 0.00294653/step Wall: 12578.1, 0.00294653/step, 0.667716 hours remaining, 209.000000 MB of memory in use. ENERGY: 4184200 730.0351 2163.3293 1958.4229 109.1335 -206291.9950 17981.5061 0.0000 0.0000 34371.7538 -148977.8143 300.1771 -183349.5681 -148887.2399 299.2081 81.1529 113.1563 555907.4970 -12.9340 -12.8484 LDB: ============= START OF LOAD BALANCING ============== 12581.6 LDB: ============== END OF LOAD BALANCING =============== 12581.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12581.6 LDB: ============= START OF LOAD BALANCING ============== 12581.9 LDB: Largest compute 4802 load 0.029166 is 24.7% of average load 0.118311 LDB: Average compute 0.001731 is 1.5% of average load 0.118311 LDB: TIME 12581.9 LOAD: AVG 0.118311 MAX 0.209791 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.898 MB LDB: TIME 12581.9 LOAD: AVG 0.118311 MAX 0.209791 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.898 MB LDB: TIME 12581.9 LOAD: AVG 0.118311 MAX 0.209791 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.898 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12581.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12581.9 PRESSURE: 4184400 -1.50602 70.0013 99.9639 69.9999 88.4246 -52.5007 99.9633 -52.5008 -144.429 GPRESSURE: 4184400 48.2502 113.766 -0.278456 -45.8695 128.306 -135.154 104.746 -43.6827 -135.901 PRESSAVG: 4184400 12.6875 30.2202 12.7178 30.2202 23.6985 -49.8247 12.7178 -49.8246 -67.6488 GPRESSAVG: 4184400 13.0423 29.7191 15.2683 28.0242 23.0925 -51.3397 10.8373 -48.939 -67.1311 TIMING: 4184400 CPU: 12578.7, 0.0030224/step Wall: 12578.7, 0.0030224/step, 0.684743 hours remaining, 208.941406 MB of memory in use. ENERGY: 4184400 755.1104 2103.3906 1948.3479 105.8562 -205967.1689 17650.3786 0.0000 0.0000 34403.3203 -149000.7650 300.4528 -183404.0853 -148906.1000 299.6937 -19.1701 13.5515 556201.9734 -10.4209 -10.3321 PRESSURE: 4184600 116.167 21.488 104.786 21.4885 53.8018 -110.122 104.787 -110.123 -58.4655 GPRESSURE: 4184600 174.249 132.743 84.9122 -5.06572 50.3016 -111.678 -8.66013 -147.738 -5.55487 PRESSAVG: 4184600 -21.6049 55.7194 21.7354 55.7194 7.51966 -26.8395 21.7354 -26.8394 11.605 GPRESSAVG: 4184600 -21.5662 53.3462 20.8911 57.2384 7.44604 -24.4877 20.4153 -28.5987 11.4697 TIMING: 4184600 CPU: 12579.3, 0.00298055/step Wall: 12579.3, 0.00298055/step, 0.675094 hours remaining, 209.183594 MB of memory in use. ENERGY: 4184600 784.0363 2117.8989 1938.7698 109.2552 -206061.7998 17812.2529 0.0000 0.0000 34488.1472 -148811.4395 301.1936 -183299.5867 -148719.3726 300.2523 37.1677 72.9984 555962.9073 -0.8268 -0.8835 PRESSURE: 4184800 85.4741 74.6352 -114.533 74.6358 -297.615 -48.7337 -114.534 -48.7339 -71.6937 GPRESSURE: 4184800 116.895 85.8713 -78.7241 172.548 -298.556 71.5398 -74.5074 -36.9481 2.61749 PRESSAVG: 4184800 11.2338 -4.35581 -22.0917 -4.35585 -11.236 -3.34208 -22.0917 -3.34205 4.30035 GPRESSAVG: 4184800 11.0268 -2.8942 -20.7007 -1.5449 -10.6195 -3.59666 -21.3117 -1.13331 4.23477 TIMING: 4184800 CPU: 12579.8, 0.00298609/step Wall: 12579.8, 0.00298609/step, 0.676184 hours remaining, 209.183594 MB of memory in use. ENERGY: 4184800 792.9679 2078.7282 1931.0837 132.4061 -205834.9080 17513.0079 0.0000 0.0000 34528.7666 -148857.9477 301.5483 -183386.7142 -148762.5616 300.9996 -94.6116 -59.6811 556797.5269 1.4327 1.5473 PRESSURE: 4185000 -24.958 -27.237 130.226 -27.2367 -133.194 -81.0025 130.225 -81.0021 -373.333 GPRESSURE: 4185000 -5.88755 -53.1553 53.8611 -54.4932 -65.3823 -158.831 99.9236 -97.7876 -362.165 PRESSAVG: 4185000 -46.376 0.0718809 50.3661 0.0718421 37.9916 -23.821 50.3661 -23.8209 -10.2867 GPRESSAVG: 4185000 -45.7532 0.74373 48.5104 -2.41812 38.0185 -25.8326 49.0434 -24.6508 -10.7939 TIMING: 4185000 CPU: 12580.4, 0.00294621/step Wall: 12580.4, 0.00294621/step, 0.666989 hours remaining, 209.183594 MB of memory in use. ENERGY: 4185000 739.9663 2107.1122 1952.0246 111.9749 -205700.6227 17588.9624 0.0000 0.0000 34414.0649 -148786.5173 300.5466 -183200.5822 -148696.5532 300.6694 -177.1616 -144.4784 558393.1420 -6.2237 -6.1762 PRESSURE: 4185200 -102.494 -136.138 -2.23752 -136.139 -248.603 12.4653 -2.23727 12.4663 -184.506 GPRESSURE: 4185200 -91.3812 -157.071 58.7995 -131.244 -175.135 8.39804 39.2574 -12.9185 -170.546 PRESSAVG: 4185200 96.0587 -67.7983 -11.4629 -67.7982 -17.5378 9.86126 -11.4629 9.86143 -63.4264 GPRESSAVG: 4185200 97.1368 -67.5815 -10.1961 -66.6007 -17.9553 12.0865 -10.0066 9.92214 -63.7998 TIMING: 4185200 CPU: 12581, 0.00296822/step Wall: 12581, 0.00296822/step, 0.671808 hours remaining, 209.445312 MB of memory in use. ENERGY: 4185200 787.4180 2129.5086 1973.5698 102.9763 -205773.0822 17551.5559 0.0000 0.0000 34331.4501 -148896.6036 299.8251 -183228.0537 -148802.2698 300.5760 -178.5343 -145.6872 556748.1105 5.0315 5.1272 PRESSURE: 4185400 66.5443 52.1056 111.746 52.1059 246.494 -84.6091 111.747 -84.6114 126.451 GPRESSURE: 4185400 200.28 6.75778 54.4296 71.1535 221.537 -123.306 188.016 -75.8977 107.896 PRESSAVG: 4185400 0.457072 -13.7311 -11.8203 -13.7311 6.7539 -29.7686 -11.8204 -29.7687 -22.0812 GPRESSAVG: 4185400 0.118562 -14.6521 -12.983 -14.242 6.00602 -30.1146 -12.1013 -30.0928 -20.8783 TIMING: 4185400 CPU: 12581.6, 0.00295245/step Wall: 12581.6, 0.00295245/step, 0.668075 hours remaining, 209.445312 MB of memory in use. ENERGY: 4185400 738.2227 2144.1467 1932.6124 120.1659 -206073.8682 17804.5966 0.0000 0.0000 34311.4571 -149022.6669 299.6505 -183334.1240 -148930.8162 300.2316 146.4966 176.5708 555458.6931 -4.9567 -4.9179 PRESSURE: 4185600 99.8874 -64.5423 -142.845 -64.5431 90.9534 155.252 -142.847 155.254 11.4501 GPRESSURE: 4185600 122.168 -77.2485 -192.161 -23.2547 142.069 196.35 -154.558 79.2991 29.7711 PRESSAVG: 4185600 -30.9923 -3.12161 -9.47882 -3.12166 63.1183 50.0768 -9.47877 50.0768 -22.74 GPRESSAVG: 4185600 -31.5219 -3.4212 -8.69157 -3.804 62.8064 50.5516 -9.26419 49.9951 -22.2006 TIMING: 4185600 CPU: 12582.2, 0.00294767/step Wall: 12582.2, 0.00294767/step, 0.666827 hours remaining, 209.445312 MB of memory in use. ENERGY: 4185600 749.5681 2118.8550 1946.1797 120.2038 -206120.0022 17795.7168 0.0000 0.0000 34250.2074 -149139.2714 299.1156 -183389.4788 -149042.7866 299.7506 67.4303 98.0027 556581.2441 3.1286 3.0280 PRESSURE: 4185800 -32.5832 54.495 -53.5875 54.4938 -228.121 169.853 -53.5873 169.851 -59.2189 GPRESSURE: 4185800 14.8344 56.0374 -30.0229 53.9732 -260.615 112.138 -60.9565 168.029 19.5551 PRESSAVG: 4185800 21.7889 -17.1009 -18.5835 -17.1007 3.39428 6.19359 -18.5835 6.19357 -20.3254 GPRESSAVG: 4185800 23.407 -18.3252 -19.4858 -16.4645 3.30854 4.55213 -18.1804 7.78882 -22.0782 TIMING: 4185800 CPU: 12582.8, 0.00297607/step Wall: 12582.8, 0.00297607/step, 0.673089 hours remaining, 209.445312 MB of memory in use. ENERGY: 4185800 740.0356 2120.6910 1934.0129 115.2604 -206154.1971 17683.7905 0.0000 0.0000 34493.1512 -149067.2554 301.2373 -183560.4066 -148966.2792 299.9891 -106.6409 -75.4086 558122.2689 1.6193 1.5458 PRESSURE: 4186000 -51.5618 32.4194 12.3807 32.4201 1.66721 -27.4207 12.3818 -27.4209 -168.935 GPRESSURE: 4186000 -8.08932 98.9141 -25.7093 12.7854 -25.2294 -48.0075 20.5911 -0.484739 -99.9244 PRESSAVG: 4186000 49.4487 40.0304 0.690574 40.0304 -62.4823 -27.6467 0.690482 -27.6466 -14.3381 GPRESSAVG: 4186000 48.8143 42.5491 2.26265 37.9614 -61.718 -26.7101 -0.8165 -28.8284 -14.0057 TIMING: 4186000 CPU: 12583.4, 0.00297365/step Wall: 12583.4, 0.00297365/step, 0.672375 hours remaining, 209.445312 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: 4186000 790.4442 2143.8186 1950.8058 118.7680 -206085.7141 17746.7140 0.0000 0.0000 34208.1537 -149127.0097 298.7483 -183335.1634 -149032.5160 300.0766 -72.9431 -44.4144 557646.4791 -9.1239 -8.9698 PRESSURE: 4186200 29.5344 42.7696 -28.4642 42.7687 64.8546 -108.266 -28.4648 -108.266 -140.854 GPRESSURE: 4186200 40.6872 -37.8135 1.44649 45.6097 74.5777 -150.89 14.5494 -121.318 -60.0133 PRESSAVG: 4186200 22.5133 -25.817 13.9108 -25.8171 49.2221 -45.6892 13.9107 -45.6892 -52.9836 GPRESSAVG: 4186200 22.7512 -27.2548 13.4931 -24.1646 48.5486 -46.4162 15.3181 -46.7355 -53.0774 TIMING: 4186200 CPU: 12584, 0.00298538/step Wall: 12584, 0.00298538/step, 0.674861 hours remaining, 209.445312 MB of memory in use. ENERGY: 4186200 763.4827 2145.1768 1913.8612 111.2342 -206183.6202 17899.4240 0.0000 0.0000 34173.6578 -149176.7835 298.4471 -183350.4413 -149080.0188 300.2387 -15.4883 18.4172 558468.9199 6.2506 6.0741 PRESSURE: 4186400 -208.545 24.9119 -91.2605 24.9119 -167.846 49.4701 -91.2607 49.4711 -146.055 GPRESSURE: 4186400 -159.422 -7.24051 -153.736 52.7347 -173.393 96.6004 -37.3864 23.6128 -95.002 PRESSAVG: 4186400 -17.3308 -6.11131 -37.5121 -6.11131 -24.067 -6.92948 -37.5121 -6.9294 -16.4408 GPRESSAVG: 4186400 -16.4143 -5.33951 -37.7797 -6.99072 -24.7865 -5.23025 -36.4442 -6.38044 -15.9829 TIMING: 4186400 CPU: 12584.6, 0.00298667/step Wall: 12584.6, 0.00298667/step, 0.674988 hours remaining, 209.445312 MB of memory in use. ENERGY: 4186400 752.5397 2155.9170 1938.0756 98.9021 -205782.7745 17627.8263 0.0000 0.0000 34385.8390 -148823.6749 300.3001 -183209.5139 -148727.0893 299.5020 -174.1486 -142.6058 559553.3939 -19.2795 -19.0612 PRESSURE: 4186600 88.0658 -61.983 45.4474 -61.9832 -27.1914 -95.427 45.4464 -95.4263 50.3927 GPRESSURE: 4186600 80.1264 -40.1171 -8.87752 -80.271 52.3786 -68.2226 54.6916 -32.6844 79.3599 PRESSAVG: 4186600 7.75359 -11.85 -55.3229 -11.85 44.2536 11.6055 -55.3229 11.6054 2.49988 GPRESSAVG: 4186600 8.05347 -13.4555 -54.8083 -9.80357 44.0946 9.0166 -59.413 12.0918 2.37556 TIMING: 4186600 CPU: 12585.2, 0.00297835/step Wall: 12585.2, 0.00297835/step, 0.672942 hours remaining, 209.445312 MB of memory in use. ENERGY: 4186600 743.1717 2123.7438 1951.6530 121.2988 -205882.0055 17844.9761 0.0000 0.0000 34358.0588 -148739.1033 300.0575 -183097.1621 -148633.3187 300.0315 37.0890 70.6216 557216.8486 18.1690 18.1746 PRESSURE: 4186800 -101.974 34.7676 53.4222 34.7661 -48.3055 -16.2149 53.4226 -16.2144 12.8829 GPRESSURE: 4186800 -50.0159 74.7405 -6.85068 31.4738 -42.8438 24.825 85.6505 -45.0475 50.0794 PRESSAVG: 4186800 27.0716 5.0734 -1.39937 5.07338 -71.9671 38.3596 -1.39937 38.3595 46.016 GPRESSAVG: 4186800 25.4627 6.24199 -2.81558 3.74871 -71.4995 38.5512 2.49401 38.6423 46.9019 TIMING: 4186800 CPU: 12585.8, 0.0029678/step Wall: 12585.8, 0.0029678/step, 0.670393 hours remaining, 209.445312 MB of memory in use. ENERGY: 4186800 729.4421 2099.1962 1944.7170 107.7955 -205797.4118 17693.0245 0.0000 0.0000 34331.1240 -148892.1125 299.8222 -183223.2365 -148797.0089 300.2066 -45.7989 -14.2601 558777.1679 0.3735 0.2883 PRESSURE: 4187000 507.569 -111.66 12.0119 -111.659 35.3501 118.581 12.0116 118.581 312.563 GPRESSURE: 4187000 440.292 -4.26763 78.8196 -121.455 122.203 116.915 -2.68509 145.787 389.571 PRESSAVG: 4187000 79.3646 25.9018 48.5529 25.9018 -84.1795 45.4762 48.553 45.4761 16.1706 GPRESSAVG: 4187000 78.8712 24.4224 52.2744 28.2928 -84.6338 47.5171 46.5114 44.6655 16.6641 TIMING: 4187000 CPU: 12586.4, 0.0029703/step Wall: 12586.4, 0.0029703/step, 0.670793 hours remaining, 209.445312 MB of memory in use. ENERGY: 4187000 716.3967 2130.1808 1921.1114 126.3117 -206462.2403 18294.1076 0.0000 0.0000 34415.9646 -148858.1675 300.5632 -183274.1321 -148764.8752 300.5587 285.1605 317.3555 556595.4462 3.7852 3.6338 PRESSURE: 4187200 -56.4684 -33.2717 -91.7212 -33.271 -291.56 -166.346 -91.7221 -166.348 -44.0052 GPRESSURE: 4187200 -18.4129 -2.35928 -103.129 31.203 -217.137 -138.967 -97.3771 -69.183 -53.6717 PRESSAVG: 4187200 -19.0856 13.1413 -29.0846 13.1412 -78.7866 -21.7337 -29.0845 -21.7338 65.3375 GPRESSAVG: 4187200 -18.5624 12.2771 -30.0155 13.2754 -78.3016 -23.2567 -29.431 -20.7916 63.8175 TIMING: 4187200 CPU: 12587, 0.00294611/step Wall: 12587, 0.00294611/step, 0.665165 hours remaining, 209.445312 MB of memory in use. ENERGY: 4187200 785.0031 2094.4421 1959.5941 111.4541 -205898.8355 17546.3483 0.0000 0.0000 34573.0238 -148828.9699 301.9348 -183401.9938 -148719.0557 300.5137 -130.6779 -96.4073 556946.0984 -10.8449 -11.0155 PRESSURE: 4187400 32.8155 91.7767 69.3789 91.7758 -85.964 -28.0944 69.3782 -28.0951 -321.748 GPRESSURE: 4187400 67.4306 130.983 109.682 64.1719 -102.651 -63.5914 -2.16752 -75.5953 -240.811 PRESSAVG: 4187400 -22.4021 107.622 -18.9113 107.622 36.2298 -20.821 -18.9113 -20.821 -5.14362 GPRESSAVG: 4187400 -22.7493 109.139 -20.1506 107.224 35.6894 -19.179 -16.8399 -21.6185 -3.89337 TIMING: 4187400 CPU: 12587.6, 0.00297904/step Wall: 12587.6, 0.00297904/step, 0.672435 hours remaining, 209.445312 MB of memory in use. ENERGY: 4187400 802.0194 2136.7625 1927.4487 120.5580 -206004.2251 17847.1221 0.0000 0.0000 34342.9676 -148827.3467 299.9257 -183170.3143 -148724.3816 300.7300 -124.9654 -92.0104 558945.5782 2.8947 3.0156 PRESSURE: 4187600 118.409 119.735 -128.32 119.735 104.559 -84.2772 -128.32 -84.2766 -14.9758 GPRESSURE: 4187600 143.079 92.977 -149.091 51.7608 120.056 -11.3166 -73.4783 -89.7064 45.0575 PRESSAVG: 4187600 74.4577 -10.7679 -13.7367 -10.768 -24.0778 28.2332 -13.7367 28.2332 -22.0595 GPRESSAVG: 4187600 74.4599 -11.5973 -11.17 -11.2214 -24.2711 28.5011 -16.0586 27.9229 -21.9926 TIMING: 4187600 CPU: 12588.2, 0.002985/step Wall: 12588.2, 0.002985/step, 0.673616 hours remaining, 209.445312 MB of memory in use. ENERGY: 4187600 754.1917 2178.9300 1940.4406 106.1421 -205940.3736 17892.9268 0.0000 0.0000 34203.0861 -148864.6564 298.7041 -183067.7425 -148777.6202 300.1494 69.3305 102.7310 556506.2258 9.4401 9.3987 PRESSURE: 4187800 -102.129 318.47 94.5604 318.469 -220.36 89.7093 94.5603 89.7087 -57.287 GPRESSURE: 4187800 -66.1368 273.504 98.2291 385.647 -130.919 164.295 -28.5905 120.959 -76.9782 PRESSAVG: 4187800 54.6799 28.7878 -9.74077 28.7879 29.688 -4.91988 -9.74083 -4.9199 -54.9224 GPRESSAVG: 4187800 53.5357 30.6843 -11.4051 27.4389 30.5199 -5.76167 -10.0827 -4.9345 -54.7074 TIMING: 4187800 CPU: 12588.8, 0.00299359/step Wall: 12588.8, 0.00299359/step, 0.675387 hours remaining, 209.445312 MB of memory in use. ENERGY: 4187800 802.1314 2072.2128 1930.4088 125.5661 -205927.0438 17754.8203 0.0000 0.0000 34446.2944 -148795.6100 300.8281 -183241.9044 -148700.4298 300.4507 -126.5919 -91.3446 558170.3293 9.8151 9.7828 PRESSURE: 4188000 47.2982 -62.5435 64.3141 -62.5421 137.73 154.186 64.3151 154.186 -368.334 GPRESSURE: 4188000 82.7718 -50.058 140.504 -80.431 186.423 129.764 31.6674 176.552 -344.369 PRESSAVG: 4188000 -25.9893 -36.7095 46.8904 -36.7096 81.9421 6.37896 46.8904 6.37887 -64.2137 GPRESSAVG: 4188000 -25.8795 -38.4386 45.911 -33.4927 82.2805 5.23291 48.0324 8.36297 -64.4203 TIMING: 4188000 CPU: 12589.4, 0.00299649/step Wall: 12589.4, 0.00299649/step, 0.675875 hours remaining, 209.445312 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: 4188000 767.8685 2117.1764 1918.3446 112.6939 -206002.6515 17864.6032 0.0000 0.0000 34228.9866 -148992.9782 298.9303 -183221.9648 -148899.3597 300.1962 -61.1021 -25.0579 557471.8684 -2.7536 -2.6731 PRESSURE: 4188200 -51.7437 -18.9256 -21.5972 -18.9261 173.981 -6.26104 -21.5961 -6.26019 66.1403 GPRESSURE: 4188200 35.5646 -57.665 -3.37046 -42.0922 177.316 42.527 -24.652 -28.2328 60.0904 PRESSAVG: 4188200 22.9233 3.04081 23.8844 3.04078 27.8532 -9.53411 23.8844 -9.53416 -57.6654 GPRESSAVG: 4188200 23.9824 3.24687 24.599 0.165378 27.3816 -6.97357 23.8311 -10.8054 -58.3564 TIMING: 4188200 CPU: 12590, 0.00296773/step Wall: 12590, 0.00296773/step, 0.669224 hours remaining, 209.476562 MB of memory in use. ENERGY: 4188200 716.1996 2143.6412 1940.0514 111.8741 -205653.3428 17811.6412 0.0000 0.0000 34091.4759 -148838.4593 297.7293 -182929.9353 -148746.2843 299.9910 62.7924 90.9904 558761.1488 -2.2963 -2.3308 LDB: ============= START OF LOAD BALANCING ============== 12593.5 LDB: ============== END OF LOAD BALANCING =============== 12593.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12593.5 LDB: ============= START OF LOAD BALANCING ============== 12593.8 LDB: Largest compute 4802 load 0.029763 is 25.2% of average load 0.118184 LDB: Average compute 0.001732 is 1.5% of average load 0.118184 LDB: TIME 12593.8 LOAD: AVG 0.118184 MAX 0.208062 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.941 MB LDB: TIME 12593.8 LOAD: AVG 0.118184 MAX 0.208062 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.145 MB LDB: TIME 12593.8 LOAD: AVG 0.118184 MAX 0.208062 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.145 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12593.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12593.8 PRESSURE: 4188400 -88.4381 -5.4642 -19.1429 -5.46278 83.9014 -8.37472 -19.1437 -8.37378 -161.293 GPRESSURE: 4188400 -5.52506 -54.1419 58.5639 -61.9598 61.4037 14.7134 42.9138 -63.6572 -123.483 PRESSAVG: 4188400 -32.2222 -9.83363 -61.7305 -9.83361 44.6038 -27.9947 -61.7305 -27.9947 -5.98653 GPRESSAVG: 4188400 -32.9618 -9.70815 -59.9748 -9.66999 45.1217 -29.7389 -62.328 -27.1406 -5.70573 TIMING: 4188400 CPU: 12590.6, 0.00302837/step Wall: 12590.6, 0.00302837/step, 0.682728 hours remaining, 209.710938 MB of memory in use. ENERGY: 4188400 737.2892 2093.9325 1919.8918 101.2427 -205639.7336 17577.5769 0.0000 0.0000 34318.0484 -148891.7521 299.7081 -183209.8005 -148798.0136 300.0864 -55.2767 -22.5348 559205.2383 2.1317 2.1514 PRESSURE: 4188600 -189.167 71.7071 -17.7303 71.7067 -277.013 -223.973 -17.7305 -223.972 32.0645 GPRESSURE: 4188600 -151.407 124.337 -88.1569 85.7148 -198.943 -218.965 4.20197 -180.73 14.6241 PRESSAVG: 4188600 16.1295 17.4331 28.8372 17.4332 5.98509 -45.3174 28.8371 -45.3173 19.3987 GPRESSAVG: 4188600 16.8584 17.5392 25.1231 19.0029 6.62946 -45.6434 30.0825 -44.293 18.3783 TIMING: 4188600 CPU: 12591.2, 0.00298437/step Wall: 12591.2, 0.00298437/step, 0.672644 hours remaining, 209.710938 MB of memory in use. ENERGY: 4188600 785.6816 2079.2949 1905.5810 110.8034 -205711.1779 17634.1473 0.0000 0.0000 34362.1168 -148833.5528 300.0929 -183195.6696 -148741.2664 300.1757 -144.7054 -111.9088 558761.7292 13.8378 13.9554 PRESSURE: 4188800 204.57 -138.82 184.516 -138.819 -79.1749 8.16839 184.517 8.16887 -123.097 GPRESSURE: 4188800 212.71 -188.26 113.442 -247.877 -14.2314 -4.16118 168.433 30.9065 -103.542 PRESSAVG: 4188800 10.1815 -18.5405 21.1608 -18.5405 -0.489359 32.5318 21.1607 32.5318 -23.7216 GPRESSAVG: 4188800 9.40728 -19.1423 23.2688 -20.1771 -1.13898 33.1491 20.779 30.5726 -22.2187 TIMING: 4188800 CPU: 12591.8, 0.00298048/step Wall: 12591.8, 0.00298048/step, 0.671602 hours remaining, 209.710938 MB of memory in use. ENERGY: 4188800 728.7197 2170.2617 1922.3041 121.1405 -206016.5430 17818.6874 0.0000 0.0000 34361.6316 -148893.7980 300.0887 -183255.4296 -148791.4495 300.0012 0.7661 31.6457 557731.8594 -4.6765 -4.6501 PRESSURE: 4189000 174.18 10.4732 37.5704 10.4726 -10.7905 136.039 37.5692 136.04 228.414 GPRESSURE: 4189000 203.226 91.927 15.8962 -41.6026 32.5619 149.221 -4.59732 158.24 256.549 PRESSAVG: 4189000 -11.962 -32.9637 11.1113 -32.9637 7.27242 38.051 11.1113 38.0511 14.8755 GPRESSAVG: 4189000 -11.0452 -33.9258 8.64398 -30.2819 7.17242 39.2857 12.6384 37.5044 13.8796 TIMING: 4189000 CPU: 12592.3, 0.00298382/step Wall: 12592.3, 0.00298382/step, 0.672188 hours remaining, 209.781250 MB of memory in use. ENERGY: 4189000 735.2200 2070.6019 1916.5597 105.5363 -206202.7359 18013.5617 0.0000 0.0000 34434.3289 -148926.9275 300.7236 -183361.2564 -148827.3980 300.4582 130.6012 164.1122 556222.2216 3.3953 3.3356 PRESSURE: 4189200 -148.774 18.3316 43.9706 18.3318 -301.588 -53.399 43.9714 -53.3985 -59.6078 GPRESSURE: 4189200 -139.118 101.448 134.245 116.986 -210.232 -44.1846 83.7869 -84.0196 -47.5588 PRESSAVG: 4189200 31.5171 -3.19852 -18.1357 -3.19849 -13.5319 17.7703 -18.1357 17.7704 12.2278 GPRESSAVG: 4189200 30.5043 -2.69726 -18.9912 -3.54627 -12.354 17.9988 -19.82 16.8975 12.0424 TIMING: 4189200 CPU: 12592.9, 0.00295042/step Wall: 12592.9, 0.00295042/step, 0.664499 hours remaining, 209.781250 MB of memory in use. ENERGY: 4189200 755.6395 2072.4938 1936.2977 102.6844 -205370.5689 17304.2469 0.0000 0.0000 34433.9907 -148765.2158 300.7206 -183199.2066 -148668.6841 300.2308 -169.9899 -132.3027 557313.8381 10.0710 10.0642 PRESSURE: 4189400 93.2772 42.5469 107.381 42.546 -158.526 61.948 107.381 61.9496 42.377 GPRESSURE: 4189400 141.322 13.9613 105.956 -11.5993 -103.533 52.4201 127.904 50.7213 42.825 PRESSAVG: 4189400 -0.515441 42.3396 -2.00583 42.3396 44.9391 -20.7379 -2.00578 -20.7379 -34.3045 GPRESSAVG: 4189400 1.03122 41.6851 0.174689 40.72 43.9538 -21.6198 -2.39922 -19.1901 -35.4161 TIMING: 4189400 CPU: 12593.5, 0.00294571/step Wall: 12593.5, 0.00294571/step, 0.663276 hours remaining, 209.781250 MB of memory in use. ENERGY: 4189400 728.6700 2092.9265 1952.7081 126.9865 -205937.1284 17617.4261 0.0000 0.0000 34635.9091 -148782.5020 302.4840 -183418.4112 -148684.1610 301.2482 -7.6239 26.8712 556282.3574 3.3731 3.1897 PRESSURE: 4189600 -107.82 -80.1025 60.8089 -80.1028 122.009 94.5676 60.8097 94.5682 43.9862 GPRESSURE: 4189600 -87.6234 -141.38 67.0782 -1.6816 188.73 167.44 -30.9646 30.6793 59.7261 PRESSAVG: 4189600 4.50199 16.774 55.1399 16.7739 -16.6024 -26.2045 55.1399 -26.2046 -0.085281 GPRESSAVG: 4189600 3.23356 18.4758 54.3354 17.0932 -16.8456 -26.0999 56.172 -26.9277 2.01989 TIMING: 4189600 CPU: 12594.1, 0.00294561/step Wall: 12594.1, 0.00294561/step, 0.66309 hours remaining, 209.781250 MB of memory in use. ENERGY: 4189600 698.6183 2075.2125 1961.4595 128.5272 -205868.9582 17598.5044 0.0000 0.0000 34404.4886 -149002.1478 300.4630 -183406.6364 -148904.7061 300.7769 19.3916 53.6110 558821.0067 -4.0619 -3.8640 PRESSURE: 4189800 -124.765 -135.484 -10.6954 -135.483 78.1113 -71.2687 -10.6958 -71.2699 -15.5886 GPRESSURE: 4189800 -117.574 -131.01 -86.5622 -160.787 112.414 -103.85 8.34944 -48.8237 29.9489 PRESSAVG: 4189800 -20.7199 -35.6483 3.80066 -35.6483 1.41398 -75.6611 3.80077 -75.661 -27.6997 GPRESSAVG: 4189800 -20.1917 -35.6725 3.92901 -35.6932 0.736899 -75.8822 4.02296 -74.6584 -27.4113 TIMING: 4189800 CPU: 12594.7, 0.00294652/step Wall: 12594.7, 0.00294652/step, 0.66313 hours remaining, 209.781250 MB of memory in use. ENERGY: 4189800 731.2933 2025.4837 1920.9023 108.8173 -205796.8552 17552.0974 0.0000 0.0000 34339.7058 -149118.5553 299.8972 -183458.2611 -149021.9788 300.6186 -20.7475 8.2629 557253.5898 -15.6685 -15.6220 PRESSURE: 4190000 15.8558 14.107 39.8481 14.1065 -121.828 -3.359 39.8481 -3.35819 -139.222 GPRESSURE: 4190000 -11.892 -24.0059 81.3563 15.9445 -69.9373 12.4943 83.041 -60.1952 -68.6511 PRESSAVG: 4190000 60.9911 -38.1447 44.5563 -38.1447 -23.4825 -38.9498 44.5564 -38.9498 2.8194 GPRESSAVG: 4190000 61.4721 -39.1145 45.3313 -38.69 -22.7625 -37.6818 43.5887 -39.9628 2.00841 TIMING: 4190000 CPU: 12595.3, 0.0029247/step Wall: 12595.3, 0.0029247/step, 0.658057 hours remaining, 209.781250 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: 4190000 773.8413 2110.9325 1939.5592 109.4931 -205739.1263 17629.1185 0.0000 0.0000 34121.0302 -149055.1516 297.9874 -183176.1817 -148958.5751 300.1135 -81.7315 -50.1601 558847.8429 13.4427 13.5727 PRESSURE: 4190200 -59.2433 -18.9482 -75.4277 -18.9487 -297.903 -145.815 -75.4284 -145.815 -178.267 GPRESSURE: 4190200 -79.5145 -38.906 -74.7099 -106.419 -304.218 -129.535 -101.78 -101.882 -45.5565 PRESSAVG: 4190200 36.5552 -25.3032 -4.15381 -25.3032 -2.77005 -21.733 -4.15373 -21.7328 -21.8569 GPRESSAVG: 4190200 35.5895 -24.1081 -4.09264 -23.8646 -1.56547 -22.944 -4.69596 -19.544 -21.5877 TIMING: 4190200 CPU: 12595.9, 0.00298169/step Wall: 12595.9, 0.00298169/step, 0.670714 hours remaining, 209.781250 MB of memory in use. ENERGY: 4190200 774.9040 2099.5704 1938.2544 125.8159 -205676.6906 17600.6848 0.0000 0.0000 34334.7503 -148802.7107 299.8539 -183137.4610 -148708.8200 300.3212 -178.4710 -143.0965 558518.2270 3.9761 4.1454 PRESSURE: 4190400 206.278 -195.118 36.7835 -195.118 66.7106 -85.2932 36.783 -85.2932 59.5802 GPRESSURE: 4190400 228.07 -26.736 52.2978 -283.029 74.921 -146.908 138.407 -45.6059 123.143 PRESSAVG: 4190400 10.4337 16.2393 -16.0162 16.2393 14.3866 -34.1407 -16.0162 -34.1406 -20.5032 GPRESSAVG: 4190400 11.0092 16.3563 -16.5634 15.0831 13.3178 -34.1862 -13.3052 -35.8963 -20.3095 TIMING: 4190400 CPU: 12596.5, 0.00299068/step Wall: 12596.5, 0.00299068/step, 0.67257 hours remaining, 209.781250 MB of memory in use. ENERGY: 4190400 767.6157 2074.5892 1945.9779 109.3256 -206529.3086 18035.3990 0.0000 0.0000 34583.3708 -149013.0305 302.0252 -183596.4013 -148913.4237 300.5148 110.8563 142.0447 557514.6490 1.4390 1.3392 PRESSURE: 4190600 -106.924 -12.6844 -57.7199 -12.6853 -59.6285 -10.1998 -57.7187 -10.1992 -15.5538 GPRESSURE: 4190600 -42.048 44.7383 -30.9175 -17.5959 -20.6994 17.625 -124.181 6.72404 -13.8061 PRESSAVG: 4190600 63.1464 -5.13462 -68.8577 -5.13458 -24.8594 -32.9425 -68.8576 -32.9424 11.0244 GPRESSAVG: 4190600 61.5966 -4.38923 -67.7062 -5.44015 -24.6089 -32.9391 -70.3509 -33.4325 11.9999 TIMING: 4190600 CPU: 12597.1, 0.00299455/step Wall: 12597.1, 0.00299455/step, 0.673275 hours remaining, 209.781250 MB of memory in use. ENERGY: 4190600 698.5111 2132.8470 1928.7152 105.2922 -206210.9864 17907.9025 0.0000 0.0000 34418.4707 -149019.2479 300.5851 -183437.7186 -148921.2019 300.4354 -60.7022 -25.5179 559214.7809 16.4371 16.3292 PRESSURE: 4190800 -40.2119 176.765 -51.4798 176.764 -168.499 144.372 -51.4787 144.371 -267.457 GPRESSURE: 4190800 -26.2939 179.295 -21.5464 125.719 -140.589 165.037 -147.28 140.345 -220.443 PRESSAVG: 4190800 -4.27338 -14.5152 -24.2524 -14.5152 13.9833 -14.1134 -24.2524 -14.1135 -26.0244 GPRESSAVG: 4190800 -3.05856 -16.283 -24.7362 -13.4148 14.2953 -13.6222 -24.2501 -14.5553 -27.8029 TIMING: 4190800 CPU: 12597.7, 0.00296466/step Wall: 12597.7, 0.00296466/step, 0.666389 hours remaining, 209.781250 MB of memory in use. ENERGY: 4190800 728.0768 2082.7089 1928.0124 117.0913 -205836.8956 17668.6992 0.0000 0.0000 34230.9768 -149081.3302 298.9476 -183312.3071 -148991.7122 299.9977 -158.7227 -129.1087 558897.3792 -5.4382 -5.5220 PRESSURE: 4191000 -79.3921 -50.0595 75.8949 -50.0597 -48.2428 -151.123 75.8938 -151.123 -53.6823 GPRESSURE: 4191000 -74.4312 -157.496 -48.6865 13.3708 -46.8222 -108.593 118.264 -134.178 31.7839 PRESSAVG: 4191000 86.6984 58.0218 -27.4809 58.0218 -22.0229 28.6638 -27.4809 28.6639 -47.4379 GPRESSAVG: 4191000 85.6544 58.7766 -28.7595 56.4286 -22.0771 28.8097 -26.9058 30.482 -46.4631 TIMING: 4191000 CPU: 12598.3, 0.00300945/step Wall: 12598.3, 0.00300945/step, 0.676289 hours remaining, 209.781250 MB of memory in use. ENERGY: 4191000 749.6173 2078.0490 1939.5962 108.8338 -206106.5306 17781.5223 0.0000 0.0000 34375.5092 -149073.4029 300.2099 -183448.9121 -148981.0980 299.4430 -60.4391 -29.8232 557147.1734 5.7459 5.7048 PRESSURE: 4191200 -36.3028 54.6055 -32.1031 54.604 -31.918 142.385 -32.1012 142.385 -95.6089 GPRESSURE: 4191200 76.8151 13.0911 3.20673 52.5588 -104.942 115.729 -147.582 100.726 -50.3411 PRESSAVG: 4191200 -22.9802 -28.3579 -26.0532 -28.3579 -8.97619 34.0577 -26.0533 34.0576 50.9771 GPRESSAVG: 4191200 -22.0967 -29.084 -25.1357 -27.2792 -9.97367 33.7156 -25.6593 33.3424 51.0305 TIMING: 4191200 CPU: 12598.9, 0.00301168/step Wall: 12598.9, 0.00301168/step, 0.676625 hours remaining, 209.781250 MB of memory in use. ENERGY: 4191200 778.5546 2156.4112 1932.2163 103.1805 -206045.2522 17703.2670 0.0000 0.0000 34327.7262 -149043.8965 299.7926 -183371.6226 -148943.4005 300.5517 -54.6099 -26.1561 557109.9944 6.3402 6.3200 PRESSURE: 4191400 -87.1905 74.655 -18.9815 74.6548 -81.8152 -5.13918 -18.981 -5.13788 -321.138 GPRESSURE: 4191400 -67.1355 106.494 17.7952 168.153 -24.6398 -11.2629 -23.0803 22.3885 -309.751 PRESSAVG: 4191400 40.2646 -26.6354 36.0673 -26.6354 -59.8645 19.5935 36.0673 19.5937 12.3986 GPRESSAVG: 4191400 40.3581 -26.5527 39.1212 -26.6423 -59.4436 19.3384 33.6967 20.2722 11.7817 TIMING: 4191400 CPU: 12599.5, 0.00297236/step Wall: 12599.5, 0.00297236/step, 0.667626 hours remaining, 209.781250 MB of memory in use. ENERGY: 4191400 767.4265 2074.2155 1972.0246 111.7206 -206039.0079 17564.4031 0.0000 0.0000 34525.7483 -149023.4695 301.5219 -183549.2178 -148922.9678 300.8727 -163.3813 -133.8419 556832.2187 -2.4004 -2.4346 PRESSURE: 4191600 64.2097 171.722 -210.357 171.721 -358.104 14.6368 -210.358 14.636 -227.63 GPRESSURE: 4191600 23.2548 214.742 -268.117 145.648 -325.132 64.4163 -121.108 -24.5369 -125.349 PRESSAVG: 4191600 -41.4926 -22.4305 42.0022 -22.4304 52.4393 8.5361 42.0021 8.53605 -49.002 GPRESSAVG: 4191600 -41.9428 -21.8459 39.1619 -21.6669 52.5444 8.47482 44.3796 9.57894 -48.0884 TIMING: 4191600 CPU: 12600.1, 0.00298495/step Wall: 12600.1, 0.00298495/step, 0.670288 hours remaining, 209.984375 MB of memory in use. ENERGY: 4191600 772.8114 2134.7262 1933.3364 109.9768 -205981.1356 17513.4211 0.0000 0.0000 34589.3097 -148927.5540 302.0770 -183516.8637 -148831.1412 300.4426 -173.8414 -142.4085 557203.5333 -12.6851 -12.4956 PRESSURE: 4191800 -87.6249 39.7696 -131.089 39.7684 -284.535 75.7078 -131.09 75.7073 -91.6069 GPRESSURE: 4191800 -50.1276 119.59 -83.2362 20.1176 -279.517 17.9963 -181.499 139.761 -38.1717 PRESSAVG: 4191800 59.9201 -34.1952 -43.2329 -34.1952 -24.7027 14.3687 -43.2329 14.3687 -51.7993 GPRESSAVG: 4191800 60.1121 -34.2618 -42.9203 -34.7548 -25.3913 16.9971 -43.5056 11.4068 -51.5477 TIMING: 4191800 CPU: 12600.7, 0.00298512/step Wall: 12600.7, 0.00298512/step, 0.67016 hours remaining, 209.984375 MB of memory in use. ENERGY: 4191800 767.7666 2129.4036 1933.9573 116.2581 -205970.1907 17652.9738 0.0000 0.0000 34602.4668 -148767.3643 302.1919 -183369.8312 -148673.2167 300.8313 -154.5889 -122.6055 556903.8814 -5.5273 -5.6090 PRESSURE: 4192000 -188.181 -49.8662 70.4428 -49.8668 -56.2828 230.468 70.4424 230.467 -109.608 GPRESSURE: 4192000 -103.549 -10.7142 86.0143 -18.7711 -50.1685 240.076 86.4924 276.088 -92.8347 PRESSAVG: 4192000 16.4177 -69.023 -6.6515 -69.0229 -36.3394 103.945 -6.65152 103.945 45.1396 GPRESSAVG: 4192000 17.229 -68.9534 -5.12526 -70.5897 -36.315 103.53 -7.78064 105.088 44.2964 TIMING: 4192000 CPU: 12601.3, 0.00295402/step Wall: 12601.3, 0.00295402/step, 0.663014 hours remaining, 209.984375 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: 4192000 759.6119 2147.8144 1967.5555 106.7954 -205800.3727 17550.1661 0.0000 0.0000 34586.9277 -148681.5017 302.0562 -183268.4293 -148584.1584 301.0926 -118.0240 -82.1842 556930.3282 8.4060 8.4035 PRESSURE: 4192200 50.8655 2.91934 46.0687 2.91874 -54.8002 66.3421 46.068 66.3411 40.1887 GPRESSURE: 4192200 74.7681 -7.23338 1.33496 29.4852 3.53989 42.6103 73.0645 48.9047 53.5116 PRESSAVG: 4192200 -67.227 1.86367 2.33338 1.86364 43.7698 34.5046 2.33331 34.5046 -28.0064 GPRESSAVG: 4192200 -66.8121 3.8008 1.50217 2.00598 44.2509 33.7415 0.682609 35.4328 -28.4814 TIMING: 4192200 CPU: 12601.9, 0.00295319/step Wall: 12601.9, 0.00295319/step, 0.662664 hours remaining, 209.984375 MB of memory in use. ENERGY: 4192200 722.6675 2114.1380 1944.0454 114.4328 -205843.2311 17687.3878 0.0000 0.0000 34599.9072 -148660.6525 302.1696 -183260.5597 -148562.1001 300.8183 12.0847 43.9399 557341.6396 -17.1545 -17.0142 LDB: ============= START OF LOAD BALANCING ============== 12605.4 LDB: ============== END OF LOAD BALANCING =============== 12605.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12605.4 LDB: ============= START OF LOAD BALANCING ============== 12605.7 LDB: Largest compute 4802 load 0.028641 is 24.2% of average load 0.118229 LDB: Average compute 0.001734 is 1.5% of average load 0.118229 LDB: TIME 12605.7 LOAD: AVG 0.118229 MAX 0.207777 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.227 MB LDB: TIME 12605.7 LOAD: AVG 0.118229 MAX 0.207777 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.227 MB LDB: TIME 12605.7 LOAD: AVG 0.118229 MAX 0.207777 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.227 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12605.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12605.7 PRESSURE: 4192400 -24.3357 -236.554 -24.2903 -236.553 57.798 -58.8872 -24.2901 -58.887 15.66 GPRESSURE: 4192400 34.4534 -276.675 -43.6827 -202.712 66.3102 -0.775851 -6.41434 -49.4482 14.4768 PRESSAVG: 4192400 31.5145 -72.2077 -22.4761 -72.2077 -20.8641 2.28625 -22.4762 2.28635 0.996967 GPRESSAVG: 4192400 30.4775 -76.0118 -21.7362 -71.4147 -20.8851 1.94964 -19.567 2.18106 1.83337 TIMING: 4192400 CPU: 12602.5, 0.0030012/step Wall: 12602.5, 0.0030012/step, 0.67327 hours remaining, 209.000000 MB of memory in use. ENERGY: 4192400 747.3896 2111.4334 1948.5087 109.0988 -205815.5406 17903.2343 0.0000 0.0000 34382.7516 -148613.1240 300.2731 -182995.8756 -148524.0790 301.0264 16.3741 38.4135 556500.2177 3.8824 3.8086 PRESSURE: 4192600 -19.9617 -99.3976 -48.5384 -99.3977 -323.268 -10.8442 -48.5379 -10.8447 -157.644 GPRESSURE: 4192600 55.799 -87.6608 -53.8847 -117.435 -332.619 -57.5368 5.67903 31.5076 -125.853 PRESSAVG: 4192600 -16.6476 -24.2511 -23.7559 -24.2512 -6.73188 -34.8192 -23.7559 -34.8191 55.9127 GPRESSAVG: 4192600 -15.0086 -21.367 -25.8735 -23.3293 -7.45368 -36.6099 -24.7771 -32.9556 55.5264 TIMING: 4192600 CPU: 12603, 0.00296056/step Wall: 12603, 0.00296056/step, 0.663988 hours remaining, 209.460938 MB of memory in use. ENERGY: 4192600 740.0951 2105.9390 1949.1991 109.8920 -205589.6932 17518.7335 0.0000 0.0000 34488.5838 -148677.2508 301.1974 -183165.8346 -148581.8271 300.6301 -166.9578 -134.2244 558381.5978 10.8444 11.0214 PRESSURE: 4192800 277.673 -48.3778 66.7446 -48.3771 21.652 43.8404 66.7449 43.8404 97.1005 GPRESSURE: 4192800 315.189 29.3713 79.6585 -121.558 24.918 8.82671 59.93 33.8261 150.929 PRESSAVG: 4192800 25.156 -40.3001 42.8765 -40.3 -2.80566 -70.3762 42.8765 -70.3763 -48.877 GPRESSAVG: 4192800 24.0428 -40.3369 45.4103 -42.0268 -2.59436 -69.7961 40.0073 -71.3112 -49.0451 TIMING: 4192800 CPU: 12603.6, 0.00297602/step Wall: 12603.6, 0.00297602/step, 0.667289 hours remaining, 209.460938 MB of memory in use. ENERGY: 4192800 762.0291 2104.4851 1904.0191 115.3545 -205598.8344 17818.3587 0.0000 0.0000 34422.1920 -148472.3959 300.6176 -182894.5879 -148370.1974 300.3683 132.1419 163.6788 555699.4792 -8.8422 -9.1989 PRESSURE: 4193000 -100.967 -25.1602 -44.7803 -25.1596 15.2186 -72.1658 -44.7787 -72.1682 -14.3356 GPRESSURE: 4193000 -24.5177 -60.514 -163.186 -29.5613 23.4594 -28.8939 41.8839 -83.2378 -20.2097 PRESSAVG: 4193000 45.8352 -13.7467 -37.4008 -13.7467 -16.2269 20.7627 -37.4007 20.7627 18.0277 GPRESSAVG: 4193000 45.2671 -13.278 -38.8602 -13.8465 -15.9348 21.124 -35.6832 19.3065 18.4788 TIMING: 4193000 CPU: 12604.2, 0.00294846/step Wall: 12604.2, 0.00294846/step, 0.660947 hours remaining, 209.460938 MB of memory in use. ENERGY: 4193000 731.9855 2134.1028 1940.3403 121.3485 -205281.6780 17511.3559 0.0000 0.0000 34156.7465 -148685.7984 298.2994 -182842.5449 -148585.6996 300.6157 -33.3612 -7.0893 558394.7268 15.8787 15.9370 PRESSURE: 4193200 137.954 -16.7125 -35.2916 -16.7112 60.8853 -18.5968 -35.2925 -18.5943 291.277 GPRESSURE: 4193200 184.365 -53.3699 -38.713 -9.32867 94.3386 -37.409 -35.8854 -18.1158 301.462 PRESSAVG: 4193200 -80.7292 -8.9069 -27.5667 -8.90687 8.23277 1.77003 -27.5666 1.7701 73.0105 GPRESSAVG: 4193200 -79.5974 -10.6266 -28.1026 -7.78218 8.80793 4.0202 -25.2678 0.705909 71.6512 TIMING: 4193200 CPU: 12604.8, 0.00294169/step Wall: 12604.8, 0.00294169/step, 0.659265 hours remaining, 209.460938 MB of memory in use. ENERGY: 4193200 748.9284 2129.2969 1941.5767 124.4255 -206279.7666 18038.7938 0.0000 0.0000 34474.2272 -148822.5181 301.0720 -183296.7453 -148721.6056 300.7337 163.3719 193.3886 557635.2378 0.1714 0.2872 PRESSURE: 4193400 25.7631 93.2443 10.0129 93.2446 -64.9162 32.7284 10.0133 32.7289 -97.631 GPRESSURE: 4193400 63.1013 44.8687 -16.9323 139.693 -90.5969 68.7821 52.1182 62.9539 -12.0245 PRESSAVG: 4193400 -39.6852 58.837 -89.834 58.837 52.9758 -29.7035 -89.834 -29.7034 -27.39 GPRESSAVG: 4193400 -39.9196 58.2562 -89.3014 58.309 51.9711 -33.1905 -89.9336 -25.9239 -26.5267 TIMING: 4193400 CPU: 12605.4, 0.00298905/step Wall: 12605.4, 0.00298905/step, 0.669714 hours remaining, 209.460938 MB of memory in use. ENERGY: 4193400 775.1003 2130.9300 1925.9751 106.4101 -205572.0622 17563.3287 0.0000 0.0000 34384.0676 -148686.2504 300.2846 -183070.3179 -148599.5783 300.7219 -45.5947 -13.1734 557704.4592 -4.6998 -4.8251 PRESSURE: 4193600 -15.4207 36.7291 223.957 36.7279 220.539 56.031 223.957 56.0321 51.0157 GPRESSURE: 4193600 45.199 40.5708 179.632 -17.9231 236.879 83.5786 227.284 38.3751 76.7973 PRESSAVG: 4193600 -49.0402 -11.049 52.8396 -11.049 6.60346 23.891 52.8397 23.891 31.4565 GPRESSAVG: 4193600 -49.9139 -9.14033 55.1572 -10.3963 6.12064 24.424 51.4411 21.6031 32.6601 TIMING: 4193600 CPU: 12606, 0.00298214/step Wall: 12606, 0.00298214/step, 0.667999 hours remaining, 209.460938 MB of memory in use. ENERGY: 4193600 753.1776 2182.6172 1947.6791 116.1526 -205912.0996 17694.4088 0.0000 0.0000 34571.5920 -148646.4724 301.9223 -183218.0644 -148546.1064 300.6343 85.3781 119.6250 557353.9644 -3.6601 -3.7111 PRESSURE: 4193800 291.521 -65.8935 137.867 -65.8923 120.919 -17.4963 137.868 -17.4973 -225.16 GPRESSURE: 4193800 322.064 -97.3403 191.431 -60.0917 158.951 -37.685 95.4472 77.1087 -198.596 PRESSAVG: 4193800 -25.8237 28.9682 31.998 28.9682 33.0124 -7.26257 31.998 -7.26263 -8.73823 GPRESSAVG: 4193800 -24.493 26.9438 30.6736 27.538 33.2762 -5.02919 32.0591 -5.41794 -9.86766 TIMING: 4193800 CPU: 12606.6, 0.00293762/step Wall: 12606.6, 0.00293762/step, 0.657864 hours remaining, 209.460938 MB of memory in use. ENERGY: 4193800 728.9510 2121.0693 1932.7626 96.5340 -205652.4055 17662.9498 0.0000 0.0000 34274.3634 -148835.7754 299.3265 -183110.1388 -148736.4209 300.6396 62.4268 94.1395 557548.7159 -0.5165 -0.3615 PRESSURE: 4194000 58.5949 -85.2621 -14.2789 -85.2622 10.4174 80.0022 -14.2788 80.0031 202.318 GPRESSURE: 4194000 95.7376 -28.817 1.94506 -22.8078 45.0508 79.7116 8.51356 48.8629 223.871 PRESSAVG: 4194000 -16.7361 -21.0374 5.28988 -21.0374 42.5464 -23.5521 5.28989 -23.5521 -62.5212 GPRESSAVG: 4194000 -17.6718 -20.6249 6.70752 -19.1502 43.6815 -24.7167 3.01502 -26.0189 -63.0034 TIMING: 4194000 CPU: 12607.2, 0.00296457/step Wall: 12607.2, 0.00296457/step, 0.663735 hours remaining, 209.460938 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: 4194000 746.0236 2173.6540 1941.2826 105.7235 -206354.3224 17983.3880 0.0000 0.0000 34414.5728 -148989.6779 300.5510 -183404.2507 -148895.9142 300.1741 90.4433 121.5531 558254.5952 -12.2369 -12.3312 PRESSURE: 4194200 -78.3259 -77.3002 -174.793 -77.3004 66.2367 99.1565 -174.794 99.1567 16.1867 GPRESSURE: 4194200 -56.0078 -43.9674 -266.002 -70.782 110.803 88.3984 -94.8802 181.492 37.1998 PRESSAVG: 4194200 22.2384 -40.6939 -9.65331 -40.6939 12.1346 36.1586 -9.65328 36.1585 -25.9433 GPRESSAVG: 4194200 22.5645 -41.3421 -9.98953 -43.0064 10.6395 34.3645 -8.9006 38.1632 -25.0927 TIMING: 4194200 CPU: 12607.8, 0.00294667/step Wall: 12607.8, 0.00294667/step, 0.659562 hours remaining, 209.460938 MB of memory in use. ENERGY: 4194200 731.7165 2140.5089 1924.0978 109.2903 -205938.7371 17794.6989 0.0000 0.0000 34318.6421 -148919.7827 299.7132 -183238.4248 -148823.0273 300.1631 1.3658 30.6649 558835.9833 2.8099 2.7038 PRESSURE: 4194400 139.357 28.4828 6.05834 28.4842 23.2107 16.6272 6.05885 16.6257 -111.366 GPRESSURE: 4194400 222.715 36.3158 62.1305 48.3977 -27.4025 131.4 -41.1432 -68.3201 -54.5149 PRESSAVG: 4194400 6.63875 -7.996 -61.3718 -7.99603 41.023 8.07099 -61.3718 8.07095 -41.166 GPRESSAVG: 4194400 7.08924 -7.57811 -58.6498 -9.39404 41.0182 10.592 -61.7711 5.29006 -41.325 TIMING: 4194400 CPU: 12608.4, 0.0029246/step Wall: 12608.4, 0.0029246/step, 0.654461 hours remaining, 209.531250 MB of memory in use. ENERGY: 4194400 760.3134 2114.5944 1953.0094 105.6439 -206216.4941 17973.2898 0.0000 0.0000 34296.2281 -149013.4152 299.5175 -183309.6432 -148926.0840 300.2267 17.0671 46.9326 557589.0175 2.1652 2.2608 PRESSURE: 4194600 -229.836 -145.35 -171.091 -145.35 -107.623 56.8033 -171.092 56.8029 -4.31003 GPRESSURE: 4194600 -164.558 -178.863 -203.239 -34.5771 -87.9446 -3.30067 -97.7345 89.6205 13.3836 PRESSAVG: 4194600 -3.12366 -23.2795 -16.1312 -23.2795 8.55416 8.06291 -16.1313 8.06289 -11.7286 GPRESSAVG: 4194600 -2.61432 -24.4106 -19.9742 -21.4168 8.85809 8.00886 -14.2271 8.3683 -12.7785 TIMING: 4194600 CPU: 12609, 0.00293108/step Wall: 12609, 0.00293108/step, 0.655747 hours remaining, 209.531250 MB of memory in use. ENERGY: 4194600 748.6802 2120.5017 1920.5570 113.9475 -206244.7628 17743.0548 0.0000 0.0000 34389.9916 -149208.0299 300.3363 -183598.0215 -149106.1490 299.7234 -113.9230 -79.7063 558498.7402 -2.0994 -2.1782 PRESSURE: 4194800 -33.13 216.049 62.597 216.047 9.72548 -70.7791 62.5967 -70.779 2.3399 GPRESSURE: 4194800 -55.955 176.976 79.3592 188.198 52.7435 17.7219 47.9722 -102.532 68.281 PRESSAVG: 4194800 -32.7644 -10.5011 -28.8532 -10.5012 43.9805 -12.0828 -28.8532 -12.0827 3.05242 GPRESSAVG: 4194800 -34.6631 -8.48863 -28.5726 -11.6791 44.4368 -12.8947 -29.5745 -10.8677 4.50849 TIMING: 4194800 CPU: 12609.5, 0.00295634/step Wall: 12609.5, 0.00295634/step, 0.661235 hours remaining, 209.531250 MB of memory in use. ENERGY: 4194800 734.8589 2098.3327 1942.4229 114.0080 -205982.9636 17807.3857 0.0000 0.0000 34171.8288 -149114.1266 298.4311 -183285.9553 -149013.0649 300.2533 -7.0216 21.6898 556721.4651 4.7562 4.7607 PRESSURE: 4195000 -265.92 98.0911 -309.877 98.0912 -92.3804 -137.273 -309.876 -137.273 -198.508 GPRESSURE: 4195000 -279.056 112.103 -256.894 97.121 -79.2858 -99.4882 -262.732 -179.183 -119.976 PRESSAVG: 4195000 12.2505 -5.41958 -53.8776 -5.41963 55.1932 -25.3038 -53.8776 -25.3038 -54.921 GPRESSAVG: 4195000 11.2876 -9.46892 -52.7442 -3.64301 54.1782 -25.8013 -54.308 -25.038 -54.1154 TIMING: 4195000 CPU: 12610.1, 0.00296853/step Wall: 12610.1, 0.00296853/step, 0.663797 hours remaining, 209.531250 MB of memory in use. ENERGY: 4195000 766.9907 2117.1417 1945.5356 92.4477 -205802.4824 17498.4996 0.0000 0.0000 34300.9407 -149080.9265 299.5586 -183381.8672 -148977.7602 300.0604 -185.6028 -159.4392 556404.2144 4.1742 3.7834 PRESSURE: 4195200 -254.892 17.8238 102.135 17.8243 -100.055 -121.046 102.135 -121.046 -267.176 GPRESSURE: 4195200 -156.078 28.4735 79.3005 -25.6694 -95.5378 -56.9939 -25.709 -217.403 -255.94 PRESSAVG: 4195200 -76.9181 18.6897 -25.1517 18.6898 73.7443 -23.4776 -25.1517 -23.4776 10.7746 GPRESSAVG: 4195200 -75.4234 21.8387 -25.3063 17.3276 75.0494 -22.8968 -25.956 -25.1554 8.33266 TIMING: 4195200 CPU: 12610.7, 0.00296027/step Wall: 12610.7, 0.00296027/step, 0.661785 hours remaining, 209.531250 MB of memory in use. ENERGY: 4195200 760.8406 2097.7209 1943.6935 102.8552 -205697.8806 17392.4586 0.0000 0.0000 34389.9234 -149010.3883 300.3358 -183400.3117 -148913.5640 299.3024 -207.3743 -169.1853 558086.8989 2.5336 2.6529 PRESSURE: 4195400 -182.633 -46.281 -146.466 -46.281 156.33 -53.8866 -146.465 -53.8873 -200.601 GPRESSURE: 4195400 -202.021 -38.9574 -112.657 -123.035 177.396 -43.8234 -128.557 -10.1497 -108.168 PRESSAVG: 4195400 -27.8516 -50.5933 -73.7027 -50.5932 75.4672 -41.2793 -73.7025 -41.2793 -34.3538 GPRESSAVG: 4195400 -28.6873 -50.1276 -72.3012 -50.19 75.4247 -43.4495 -73.8096 -39.7158 -33.4501 TIMING: 4195400 CPU: 12611.3, 0.00299667/step Wall: 12611.3, 0.00299667/step, 0.669755 hours remaining, 209.531250 MB of memory in use. ENERGY: 4195400 705.8286 2069.0019 1963.1898 104.8371 -205644.2431 17542.8041 0.0000 0.0000 34298.6541 -148959.9275 299.5387 -183258.5816 -148860.3562 299.8888 -75.6350 -44.2644 557843.6913 4.4206 4.4291 PRESSURE: 4195600 -242.094 -86.3912 -120.229 -86.3914 -8.50527 -94.1536 -120.23 -94.1541 -363.683 GPRESSURE: 4195600 -228.959 -96.9803 -112.58 -66.6748 26.7733 -49.3413 -78.2953 -65.0496 -309.79 PRESSAVG: 4195600 2.96815 5.12071 -29.5358 5.12071 44.2048 -36.1422 -29.5358 -36.1422 -65.5042 GPRESSAVG: 4195600 3.24842 3.9089 -31.4761 4.32972 43.868 -34.3922 -29.5869 -36.4178 -65.0255 TIMING: 4195600 CPU: 12611.9, 0.00298699/step Wall: 12611.9, 0.00298699/step, 0.667427 hours remaining, 209.531250 MB of memory in use. ENERGY: 4195600 749.2249 2144.7783 1938.6186 101.1083 -205689.8277 17546.1417 0.0000 0.0000 34111.7086 -149098.2473 297.9060 -183209.9559 -149002.4900 299.8210 -204.7604 -170.6588 558680.1805 -6.1104 -5.9697 PRESSURE: 4195800 182.903 119.834 173.882 119.832 79.64 -21.2324 173.88 -21.2316 39.548 GPRESSURE: 4195800 273.368 88.8205 64.1409 71.382 80.9349 -25.1384 236.774 13.06 38.303 PRESSAVG: 4195800 -2.58808 41.4385 -2.9761 41.4384 81.7778 -29.2743 -2.97618 -29.2742 -36.181 GPRESSAVG: 4195800 -2.1968 43.5665 -4.1581 40.446 83.0237 -27.8061 -1.91477 -28.946 -37.9667 TIMING: 4195800 CPU: 12612.5, 0.0029671/step Wall: 12612.5, 0.0029671/step, 0.662817 hours remaining, 209.531250 MB of memory in use. ENERGY: 4195800 728.2376 2117.9861 1940.6267 118.1352 -206039.4046 17896.9935 0.0000 0.0000 34142.9893 -149094.4363 298.1792 -183237.4255 -149003.3311 299.5943 100.6971 130.8685 558102.4131 14.3362 14.2867 PRESSURE: 4196000 102.749 29.644 -38.5694 29.6453 5.96244 -59.7007 -38.5692 -59.701 -94.2087 GPRESSURE: 4196000 99.3672 -1.44745 2.40522 53.1858 6.54566 -93.7933 -85.6602 -36.3114 -2.18496 PRESSAVG: 4196000 -1.04991 -20.6427 -55.4674 -20.6427 -36.0921 -54.601 -55.4674 -54.601 28.2099 GPRESSAVG: 4196000 -2.13608 -22.2141 -53.5977 -21.6439 -36.2035 -57.9162 -54.9576 -53.6623 28.3342 TIMING: 4196000 CPU: 12613.1, 0.00299187/step Wall: 12613.1, 0.00299187/step, 0.668184 hours remaining, 209.531250 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: 4196000 747.5866 2083.4798 1954.0912 114.2203 -206188.1732 17749.1542 0.0000 0.0000 34589.2368 -148950.4043 302.0764 -183539.6411 -148856.9270 299.9901 4.8343 34.5760 558183.3561 -2.9773 -3.3351 PRESSURE: 4196200 100.689 -117.09 -159.494 -117.089 -163.773 15.6929 -159.494 15.6922 98.285 GPRESSURE: 4196200 132.053 -82.6097 -186.666 -53.2418 -150.133 52.1898 -115.136 -23.8059 155.932 PRESSAVG: 4196200 23.3789 2.6493 -27.4458 2.64926 -14.8876 7.89639 -27.4458 7.89633 -28.842 GPRESSAVG: 4196200 24.4989 1.47266 -28.2342 5.24485 -17.9173 9.54658 -29.0363 7.07692 -27.159 TIMING: 4196200 CPU: 12613.7, 0.0029796/step Wall: 12613.7, 0.0029796/step, 0.665278 hours remaining, 209.531250 MB of memory in use. ENERGY: 4196200 789.2501 2079.8043 1917.6921 119.4451 -206146.5873 17952.2846 0.0000 0.0000 34255.4475 -149032.6636 299.1613 -183288.1111 -148942.2332 299.8240 11.7334 45.9509 558412.1528 -6.7836 -6.8592 LDB: ============= START OF LOAD BALANCING ============== 12617.2 LDB: ============== END OF LOAD BALANCING =============== 12617.2 LDB: =============== DONE WITH MIGRATION ================ 12617.2 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 12617.5 LDB: Largest compute 4802 load 0.029903 is 25.3% of average load 0.118165 LDB: Average compute 0.001735 is 1.5% of average load 0.118165 LDB: TIME 12617.5 LOAD: AVG 0.118165 MAX 0.204462 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.172 MB LDB: TIME 12617.5 LOAD: AVG 0.118165 MAX 0.204462 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.172 MB LDB: TIME 12617.5 LOAD: AVG 0.118165 MAX 0.204462 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.172 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12617.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12617.5 PRESSURE: 4196400 18.0625 -74.3773 15.0859 -74.3769 -94.2236 -13.3955 15.0855 -13.3942 -134.586 GPRESSURE: 4196400 53.2672 4.5142 16.5793 -68.5228 -76.3278 -39.6141 -21.6801 -5.3525 -96.9029 PRESSAVG: 4196400 36.2204 0.975651 -16.5801 0.975644 -81.4185 17.6615 -16.5802 17.6614 17.5367 GPRESSAVG: 4196400 37.7667 2.46725 -15.7172 1.2637 -81.2782 19.6036 -15.4754 17.3676 15.7192 TIMING: 4196400 CPU: 12614.3, 0.00304121/step Wall: 12614.3, 0.00304121/step, 0.678865 hours remaining, 209.066406 MB of memory in use. ENERGY: 4196400 741.5137 2105.6744 1928.3609 103.0154 -206151.5272 17742.0001 0.0000 0.0000 34373.5961 -149157.3667 300.1932 -183530.9628 -149062.5008 298.9726 -70.2490 -39.9878 558778.6658 -9.2205 -9.2641 PRESSURE: 4196600 125.227 32.2591 90.7206 32.2578 76.8549 -127.47 90.7211 -127.469 -246.247 GPRESSURE: 4196600 159.121 77.0066 159.951 -2.41586 83.6388 -99.775 89.0645 -110.845 -184.325 PRESSAVG: 4196600 -36.5848 -34.8892 -17.1454 -34.8892 34.0496 20.525 -17.1454 20.5251 5.10752 GPRESSAVG: 4196600 -37.8721 -35.1084 -16.5032 -35.2565 35.1683 19.4352 -16.8923 20.3714 6.10332 TIMING: 4196600 CPU: 12614.9, 0.00296944/step Wall: 12614.9, 0.00296944/step, 0.662681 hours remaining, 209.269531 MB of memory in use. ENERGY: 4196600 790.0280 2090.7412 1944.7380 108.4369 -206254.9837 18023.4716 0.0000 0.0000 34290.4233 -149007.1447 299.4668 -183297.5680 -148908.2288 299.5495 -14.7218 19.4785 558099.7464 0.8574 1.1332 PRESSURE: 4196800 -146.692 108.717 0.925255 108.718 116.985 9.45883 0.924873 9.46084 23.9376 GPRESSURE: 4196800 -143.725 109.866 2.85694 180.075 169.115 -149.036 9.72053 75.8784 57.4509 PRESSAVG: 4196800 -13.2373 7.81207 38.3199 7.81219 29.1717 -25.9862 38.3199 -25.9861 9.87917 GPRESSAVG: 4196800 -14.0565 7.63723 36.3956 7.71993 30.0476 -25.8656 39.1714 -24.5435 9.70572 TIMING: 4196800 CPU: 12615.5, 0.0029647/step Wall: 12615.5, 0.0029647/step, 0.661458 hours remaining, 209.269531 MB of memory in use. ENERGY: 4196800 767.1773 2105.5156 1962.5829 120.3385 -206335.2449 17840.6797 0.0000 0.0000 34482.6614 -149056.2894 301.1457 -183538.9509 -148960.3948 300.5514 -1.9234 27.6136 557086.3045 8.6045 8.5656 PRESSURE: 4197000 -291.219 172.92 -47.8091 172.92 276.024 47.7014 -47.8092 47.701 257.368 GPRESSURE: 4197000 -254.227 127.524 -77.2672 188.621 322.564 41.5032 -34.8426 150.582 267.726 PRESSAVG: 4197000 -38.9206 -33.3476 19.9646 -33.3476 -19.3933 31.8724 19.9645 31.8724 53.0087 GPRESSAVG: 4197000 -37.5196 -33.0334 21.9418 -33.693 -20.0794 32.7367 17.4307 31.5029 52.247 TIMING: 4197000 CPU: 12616.1, 0.00295441/step Wall: 12616.1, 0.00295441/step, 0.658998 hours remaining, 209.269531 MB of memory in use. ENERGY: 4197000 739.8782 2125.1832 1952.8551 123.4573 -206510.8311 18011.8420 0.0000 0.0000 34526.5917 -149031.0236 301.5293 -183557.6153 -148934.0514 300.1737 80.7244 112.0211 558163.1692 -1.7684 -1.7840 PRESSURE: 4197200 -112.486 -128.465 136.111 -128.464 137.852 -123.302 136.112 -123.302 108.433 GPRESSURE: 4197200 -84.6965 -200.883 204.58 -89.0397 178.461 -84.8225 71.0633 -173.825 130.788 PRESSAVG: 4197200 -10.5498 17.2527 2.27339 17.2527 6.92163 -55.0765 2.27343 -55.0764 29.4956 GPRESSAVG: 4197200 -11.4259 16.5167 -0.101493 17.6481 8.08177 -57.8905 4.35124 -55.499 29.3045 TIMING: 4197200 CPU: 12616.7, 0.0029746/step Wall: 12616.7, 0.0029746/step, 0.663337 hours remaining, 209.269531 MB of memory in use. ENERGY: 4197200 752.7290 2107.8894 1932.4497 107.2006 -206019.2292 17855.0931 0.0000 0.0000 34245.8456 -149018.0218 299.0775 -183263.8674 -148918.9146 299.7485 44.5995 74.8510 556661.8328 8.6225 8.6534 PRESSURE: 4197400 146.048 -81.1777 -30.0337 -81.1764 54.4494 61.9065 -30.0332 61.9053 -219.545 GPRESSURE: 4197400 160.095 5.48318 -52.776 -106.007 88.6295 30.1493 -51.9215 129.634 -179.917 PRESSAVG: 4197400 44.1637 -46.348 38.0423 -46.3481 -13.0628 -87.9179 38.0423 -87.918 6.87651 GPRESSAVG: 4197400 44.382 -44.602 37.4322 -47.9181 -12.7271 -87.5569 40.2243 -86.5149 6.54623 TIMING: 4197400 CPU: 12617.3, 0.00295994/step Wall: 12617.3, 0.00295994/step, 0.659903 hours remaining, 209.269531 MB of memory in use. ENERGY: 4197400 718.5335 2086.3116 1944.7036 121.3368 -206044.9657 17595.5395 0.0000 0.0000 34339.2918 -149239.2490 299.8936 -183578.5408 -149141.9678 299.6333 -6.3492 22.9359 556361.4476 12.6591 12.7337 PRESSURE: 4197600 219.457 18.5329 203.489 18.5331 60.0902 27.9423 203.488 27.9425 -145.919 GPRESSURE: 4197600 257.122 23.9757 104.888 3.37819 49.4631 -27.3981 250.034 -29.0543 -83.9995 PRESSAVG: 4197600 71.9092 -62.3332 -39.5951 -62.3331 -9.46847 5.64102 -39.5952 5.641 -71.8485 GPRESSAVG: 4197600 72.2706 -64.0524 -41.0035 -61.3204 -11.0208 6.9387 -40.6349 3.20316 -70.4237 TIMING: 4197600 CPU: 12617.9, 0.00298077/step Wall: 12617.9, 0.00298077/step, 0.664381 hours remaining, 209.269531 MB of memory in use. ENERGY: 4197600 729.0720 2121.1903 1934.0887 111.8785 -206227.6609 17830.7190 0.0000 0.0000 34239.3820 -149261.3304 299.0210 -183500.7124 -149166.4366 299.8986 44.5425 74.1951 555910.1150 -3.1359 -3.0580 PRESSURE: 4197800 -57.1259 65.085 41.0468 65.0849 193.718 63.9881 41.0474 63.987 -110.364 GPRESSURE: 4197800 -28.8614 2.27659 36.9126 118.576 233.238 14.8111 2.62888 92.7262 -77.9434 PRESSAVG: 4197800 -10.2536 4.29709 8.12377 4.29703 37.1576 12.9704 8.12386 12.9704 -10.387 GPRESSAVG: 4197800 -10.3314 4.28266 9.3525 4.82489 36.9693 12.7449 5.9691 13.0377 -10.1494 TIMING: 4197800 CPU: 12618.5, 0.00296245/step Wall: 12618.5, 0.00296245/step, 0.660132 hours remaining, 209.269531 MB of memory in use. ENERGY: 4197800 762.3991 2086.6737 1944.8782 108.0072 -206305.3092 17902.5808 0.0000 0.0000 34166.8219 -149333.9483 298.3874 -183500.7702 -149233.6682 300.0533 8.7428 42.1444 556865.5954 5.5057 5.4961 PRESSURE: 4198000 -41.0706 -82.7962 -3.37774 -82.7959 -156.749 -4.18849 -3.37705 -4.18884 -305.383 GPRESSURE: 4198000 -66.3035 -112.29 0.790516 -61.8525 -186.523 22.159 60.7091 10.8276 -156.6 PRESSAVG: 4198000 67.2474 -0.25234 -45.9048 -0.252299 28.6223 47.9435 -45.9047 47.9435 -105.675 GPRESSAVG: 4198000 66.6727 -0.241458 -45.6397 -0.0408651 28.9385 49.1883 -45.5431 48.9845 -105.992 TIMING: 4198000 CPU: 12619.1, 0.00295688/step Wall: 12619.1, 0.00295688/step, 0.658727 hours remaining, 209.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4198000 752.6950 2083.4691 1943.6696 104.1122 -206244.7305 17685.4981 0.0000 0.0000 34342.3837 -149332.9027 299.9206 -183675.2865 -149238.8894 298.4823 -167.7343 -136.4754 557972.2784 -3.2682 -3.4603 PRESSURE: 4198200 136.836 -10.8921 -82.9315 -10.8914 -117.938 8.17273 -82.9314 8.17236 275.299 GPRESSURE: 4198200 118.137 -47.7154 -81.4294 49.316 -70.6477 -26.7145 -113.433 30.3705 317.289 PRESSAVG: 4198200 -18.6233 19.3147 -6.2373 19.3147 3.87201 -55.085 -6.2372 -55.0851 -8.37826 GPRESSAVG: 4198200 -19.6279 21.3799 -4.82935 18.5945 4.37091 -55.2786 -8.24127 -54.7647 -7.83872 TIMING: 4198200 CPU: 12619.7, 0.0029833/step Wall: 12619.7, 0.0029833/step, 0.664447 hours remaining, 209.269531 MB of memory in use. ENERGY: 4198200 760.7917 2099.5369 1946.2382 109.6146 -206393.3082 17915.2180 0.0000 0.0000 34195.8919 -149366.0169 298.6412 -183561.9088 -149271.7753 299.1597 98.0656 121.5928 558086.7673 -7.7098 -7.6986 PRESSURE: 4198400 -72.5182 127.934 -33.6715 127.934 -31.8661 45.2028 -33.6713 45.2037 -458.166 GPRESSURE: 4198400 -10.9319 154.6 -145.954 76.4909 -35.1311 -7.97603 -9.42609 8.24609 -407.167 PRESSAVG: 4198400 48.5964 -13.4883 -36.335 -13.4885 -39.7735 16.2518 -36.335 16.2518 -38.3492 GPRESSAVG: 4198400 50.2743 -13.7269 -37.4941 -14.5219 -40.4551 15.9982 -34.4242 17.8993 -38.7282 TIMING: 4198400 CPU: 12620.3, 0.00297897/step Wall: 12620.3, 0.00297897/step, 0.663318 hours remaining, 209.269531 MB of memory in use. ENERGY: 4198400 745.4383 2171.9319 1938.9602 115.9789 -206150.9212 17646.7614 0.0000 0.0000 34267.6091 -149264.2414 299.2676 -183531.8505 -149166.3662 299.2608 -187.5168 -151.0768 558085.0494 -9.8421 -9.6364 PRESSURE: 4198600 -55.8815 -113.416 46.6819 -113.417 103.217 166.673 46.6829 166.676 20.3203 GPRESSURE: 4198600 -72.3641 -127.909 91.2873 -142.301 156.995 130.429 15.8918 106.614 78.3214 PRESSAVG: 4198600 0.662693 -15.6347 -26.3339 -15.6346 11.8302 5.09024 -26.3338 5.0903 17.3274 GPRESSAVG: 4198600 0.410621 -16.105 -26.1136 -14.5351 11.7452 5.71801 -24.7719 2.57803 17.2411 TIMING: 4198600 CPU: 12620.9, 0.00299727/step Wall: 12620.9, 0.00299727/step, 0.667226 hours remaining, 209.269531 MB of memory in use. ENERGY: 4198600 722.7881 2075.2386 1918.2912 116.0801 -206009.1981 17703.3221 0.0000 0.0000 34251.4557 -149222.0224 299.1265 -183473.4781 -149124.3583 299.1699 22.5518 54.3176 555085.1371 9.9401 9.7990 PRESSURE: 4198800 -378.209 -157.146 78.7927 -157.146 -84.2878 62.7245 78.7932 62.7238 -140.501 GPRESSURE: 4198800 -371.176 -128.926 36.0072 -159.97 2.94508 36.2138 58.7308 87.4752 -141.559 PRESSAVG: 4198800 -19.9554 -40.7812 -1.27176 -40.7813 10.1694 15.5189 -1.27172 15.5189 17.7466 GPRESSAVG: 4198800 -21.2242 -43.8806 -1.8695 -40.6517 11.6221 16.4309 -2.68245 16.2752 16.8942 TIMING: 4198800 CPU: 12621.5, 0.00296074/step Wall: 12621.5, 0.00296074/step, 0.65893 hours remaining, 209.269531 MB of memory in use. ENERGY: 4198800 752.1211 2075.6413 1920.1600 126.0328 -205640.0368 17225.0876 0.0000 0.0000 34283.4223 -149257.5717 299.4057 -183540.9940 -149155.9485 299.3557 -200.9995 -169.9302 555609.3252 2.6536 2.4307 PRESSURE: 4199000 -153.64 -30.0151 88.1096 -30.0159 -168.917 105.856 88.109 105.857 213.929 GPRESSURE: 4199000 -66.4369 -16.7048 105.308 -15.9596 -152.86 7.21328 62.1183 212.712 216.513 PRESSAVG: 4199000 -20.5159 53.3118 21.7348 53.3118 35.9735 11.9659 21.7348 11.9658 23.2894 GPRESSAVG: 4199000 -20.4177 55.9769 20.9564 53.7053 35.7097 11.5683 22.7896 12.7362 23.6673 TIMING: 4199000 CPU: 12622, 0.00297062/step Wall: 12622, 0.00297062/step, 0.660963 hours remaining, 209.269531 MB of memory in use. ENERGY: 4199000 734.1984 2079.9717 1947.5185 115.0640 -206483.2913 17894.4259 0.0000 0.0000 34541.7291 -149170.3839 301.6615 -183712.1129 -149083.7145 299.2427 -36.2091 -0.9280 556283.9320 12.9157 12.9864 PRESSURE: 4199200 -273.32 -40.017 -53.7215 -40.0165 -25.0508 -36.1378 -53.7212 -36.1378 -140.954 GPRESSURE: 4199200 -255.31 -13.3489 -82.6918 -23.9779 -18.5665 10.9094 -13.8115 -77.5511 -60.3857 PRESSAVG: 4199200 43.8557 13.9628 -22.8393 13.9627 -7.6887 30.4479 -22.8391 30.448 -30.8292 GPRESSAVG: 4199200 44.404 13.3463 -22.1192 13.6987 -7.93251 30.1395 -24.642 30.3027 -31.7226 TIMING: 4199200 CPU: 12622.6, 0.00299751/step Wall: 12622.6, 0.00299751/step, 0.666779 hours remaining, 209.269531 MB of memory in use. ENERGY: 4199200 771.4880 2058.0490 1930.7533 112.3681 -206126.1433 17720.3175 0.0000 0.0000 34293.0055 -149240.1618 299.4893 -183533.1674 -149146.3135 299.5138 -146.4414 -111.4207 556526.4292 1.7793 1.5830 PRESSURE: 4199400 -301.739 146.234 2.32816 146.233 62.195 55.5132 2.32781 55.5142 -144.394 GPRESSURE: 4199400 -255.224 138.726 -17.9681 94.1872 149.933 63.3093 82.2265 -48.5911 -182.181 PRESSAVG: 4199400 -45.2871 23.4386 1.81771 23.4386 22.3359 -53.4331 1.81773 -53.4331 24.7122 GPRESSAVG: 4199400 -45.156 22.3084 2.23504 23.024 22.975 -55.1259 2.9653 -53.7874 24.1833 TIMING: 4199400 CPU: 12623.2, 0.00298811/step Wall: 12623.2, 0.00298811/step, 0.664522 hours remaining, 209.269531 MB of memory in use. ENERGY: 4199400 713.3611 2105.4290 1932.1577 113.3422 -206002.4684 17558.3133 0.0000 0.0000 34231.2188 -149348.6463 298.9497 -183579.8651 -149251.9852 299.3200 -127.9793 -95.8240 558665.0861 0.5870 0.6674 PRESSURE: 4199600 -102.06 -93.2542 184.145 -93.2544 -83.3665 36.7005 184.144 36.7002 231.898 GPRESSURE: 4199600 -59.8984 -39.6895 114.548 -66.0967 -79.4457 65.0905 171.257 -17.4497 284.942 PRESSAVG: 4199600 -39.5459 28.824 26.7594 28.824 19.5635 -1.86071 26.7593 -1.86067 -8.56206 GPRESSAVG: 4199600 -39.054 29.2095 24.9874 30.0315 19.8215 -0.0263892 25.825 -2.65922 -9.0087 TIMING: 4199600 CPU: 12623.8, 0.00297974/step Wall: 12623.8, 0.00297974/step, 0.662497 hours remaining, 209.269531 MB of memory in use. ENERGY: 4199600 759.0836 2038.8905 1939.3974 117.0858 -206565.6108 18072.2243 0.0000 0.0000 34351.8727 -149287.0565 300.0034 -183638.9292 -149186.0969 298.6287 15.4905 48.5326 557842.6525 -9.5148 -9.4137 PRESSURE: 4199800 -77.6823 111.636 83.7796 111.636 -63.3758 -107.277 83.7805 -107.277 -39.3282 GPRESSURE: 4199800 -68.0471 62.0307 74.3025 126.936 -14.543 -117.131 59.3727 -125.353 -3.13071 PRESSAVG: 4199800 -44.1861 2.74672 -3.00805 2.74659 46.6206 -16.3 -3.00804 -16.3 -11.5514 GPRESSAVG: 4199800 -45.1158 2.43381 -3.11313 1.97301 46.0944 -19.1922 -2.65903 -14.5554 -9.90329 TIMING: 4199800 CPU: 12624.4, 0.0029932/step Wall: 12624.4, 0.0029932/step, 0.665322 hours remaining, 209.269531 MB of memory in use. ENERGY: 4199800 749.8632 2132.1741 1928.2853 107.9459 -206085.8166 17597.7803 0.0000 0.0000 34300.2750 -149269.4928 299.5528 -183569.7677 -149178.4348 299.0612 -60.1288 -28.5736 556128.4633 -3.0390 -2.9749 PRESSURE: 4200000 -128.68 170.793 34.0679 170.793 -99.6012 21.1538 34.0676 21.1546 -46.022 GPRESSURE: 4200000 -53.3252 174.948 13.0973 199.938 -96.6553 3.57289 47.3283 11.5508 -14.115 PRESSAVG: 4200000 -46.6626 49.03 -2.52219 49.03 85.8836 15.6073 -2.52222 15.6075 -14.3529 GPRESSAVG: 4200000 -45.5864 49.9169 -3.00432 47.8694 84.6913 16.7706 -1.69304 15.1712 -15.0486 TIMING: 4200000 CPU: 12625, 0.00298292/step Wall: 12625, 0.00298292/step, 0.662871 hours remaining, 209.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4200000 770.5164 2065.0903 1947.6329 114.4198 -205927.4743 17812.4427 0.0000 0.0000 34117.1704 -149100.2018 297.9537 -183217.3722 -149011.7196 299.1572 -91.4342 -54.6985 558246.9074 8.2894 8.0188 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4200000 WRITING COORDINATES TO DCD FILE MD.3.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 -75.8128 35.2117 141.091 35.2114 5.95405 20.5935 141.09 20.595 104.928 GPRESSURE: 4200200 -60.6908 92.6196 135.862 -10.7606 96.0932 64.5935 148.648 -14.7039 102.385 PRESSAVG: 4200200 -12.3159 -13.9502 -0.632864 -13.9502 -4.21658 21.5911 -0.632884 21.5911 -1.73091 GPRESSAVG: 4200200 -13.0855 -12.6357 0.419512 -12.7506 -2.80998 21.0441 -2.81227 21.0189 -2.69773 TIMING: 4200200 CPU: 12625.6, 0.00303816/step Wall: 12625.6, 0.00303816/step, 0.674978 hours remaining, 209.269531 MB of memory in use. ENERGY: 4200200 755.8711 2087.6875 1923.8668 112.1860 -206156.6188 17831.4977 0.0000 0.0000 34372.3961 -149073.1136 300.1827 -183445.5097 -148973.4362 299.1511 11.6898 45.9290 557404.4358 -6.0878 -6.1978 LDB: ============= START OF LOAD BALANCING ============== 12629.2 LDB: ============== END OF LOAD BALANCING =============== 12629.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12629.2 LDB: ============= START OF LOAD BALANCING ============== 12629.5 LDB: Largest compute 4773 load 0.031581 is 26.7% of average load 0.118103 LDB: Average compute 0.001737 is 1.5% of average load 0.118103 LDB: TIME 12629.5 LOAD: AVG 0.118103 MAX 0.202138 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.43 MB LDB: TIME 12629.5 LOAD: AVG 0.118103 MAX 0.202138 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: TIME 12629.5 LOAD: AVG 0.118103 MAX 0.202138 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12629.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12629.5 PRESSURE: 4200400 -95.6312 -8.71907 -24.5453 -8.71892 -134.659 -56.2364 -24.5461 -56.2358 108.33 GPRESSURE: 4200400 -3.36414 -63.6704 109.833 97.0245 -158.966 -33.7488 -46.7469 4.89776 129.201 PRESSAVG: 4200400 48.9652 12.5594 -22.3682 12.5594 -57.0056 57.1129 -22.3683 57.1129 -16.3514 GPRESSAVG: 4200400 48.4569 7.94923 -22.684 15.2489 -57.8108 57.0871 -21.4118 57.3112 -14.8268 TIMING: 4200400 CPU: 12626.2, 0.00302595/step Wall: 12626.2, 0.00302595/step, 0.672096 hours remaining, 210.027344 MB of memory in use. ENERGY: 4200400 774.4922 2097.3011 1921.6500 107.6199 -206227.6306 17865.2446 0.0000 0.0000 34340.4348 -149120.8880 299.9036 -183461.3228 -149028.4610 299.5230 -40.6537 -11.0432 558461.3063 -8.1306 -8.0602 PRESSURE: 4200600 78.6776 -19.616 26.0094 -19.6158 -126.373 136.877 26.0101 136.879 20.5671 GPRESSURE: 4200600 61.4828 -10.6769 49.1033 -40.8805 -52.1498 119.195 -49.1544 180.588 61.001 PRESSAVG: 4200600 -26.7726 86.1992 14.5646 86.1992 -4.26441 -25.5112 14.5647 -25.5113 34.1378 GPRESSAVG: 4200600 -26.6356 88.4434 14.7134 83.8672 -4.06281 -25.0678 13.2157 -25.816 34.7783 TIMING: 4200600 CPU: 12626.8, 0.00298438/step Wall: 12626.8, 0.00298439/step, 0.662699 hours remaining, 210.210938 MB of memory in use. ENERGY: 4200600 752.8331 2103.1495 1899.8066 119.7585 -206245.3336 17986.4219 0.0000 0.0000 34395.7342 -148987.6299 300.3865 -183383.3641 -148895.3906 299.9505 -9.0429 23.4446 558824.7531 1.0336 1.3600 PRESSURE: 4200800 -228.598 -86.0335 -89.025 -86.0338 -273.982 74.1878 -89.0242 74.1894 -47.6135 GPRESSURE: 4200800 -208.82 -61.5162 -9.09923 -76.1171 -187.288 -35.859 -98.6616 137.621 -53.8614 PRESSAVG: 4200800 10.7117 46.6003 -0.969394 46.6002 26.0912 24.6708 -0.969378 24.6707 -22.5552 GPRESSAVG: 4200800 9.51156 47.4819 -0.325688 45.7654 27.1065 23.5597 -0.189842 26.5997 -22.797 TIMING: 4200800 CPU: 12627.4, 0.00299575/step Wall: 12627.4, 0.00299575/step, 0.665056 hours remaining, 210.210938 MB of memory in use. ENERGY: 4200800 752.5922 2029.9133 1931.1233 104.2076 -205964.6089 17643.6825 0.0000 0.0000 34360.3327 -149142.7572 300.0773 -183503.0899 -149045.6257 300.0731 -183.3978 -149.9898 557715.0830 4.7492 4.6070 PRESSURE: 4201000 -230.245 -117.585 174.537 -117.586 -96.9662 98.4493 174.538 98.4495 -87.0323 GPRESSURE: 4201000 -220.115 -49.987 196.99 -122.063 -71.6417 92.7788 235.634 83.4632 -39.0286 PRESSAVG: 4201000 -34.6721 -42.0851 10.6213 -42.0851 10.5988 -42.0127 10.6213 -42.0127 28.4127 GPRESSAVG: 4201000 -33.7566 -41.266 9.32772 -42.4387 9.24022 -38.4544 11.5435 -44.8886 28.9997 TIMING: 4201000 CPU: 12628, 0.00299568/step Wall: 12628, 0.00299568/step, 0.664876 hours remaining, 210.210938 MB of memory in use. ENERGY: 4201000 734.7184 2108.3307 1893.5110 115.7059 -205712.1253 17535.1583 0.0000 0.0000 34281.9908 -149042.7102 299.3932 -183324.7009 -148953.5526 299.2544 -138.0812 -110.2618 558905.2749 1.4465 1.4944 PRESSURE: 4201200 245.739 -5.69888 42.3982 -5.69863 91.448 -32.4769 42.3971 -32.4771 21.8182 GPRESSURE: 4201200 292.443 18.5139 102.451 34.5664 79.3357 -49.0443 14.2061 -105.947 92.095 PRESSAVG: 4201200 -8.45913 4.30892 52.9746 4.30891 65.0886 39.443 52.9746 39.443 -41.816 GPRESSAVG: 4201200 -7.35104 2.95633 54.5013 5.12222 65.6933 38.4939 52.4971 40.6836 -43.5418 TIMING: 4201200 CPU: 12628.6, 0.00300012/step Wall: 12628.6, 0.00300012/step, 0.665693 hours remaining, 210.210938 MB of memory in use. ENERGY: 4201200 703.0874 2090.9725 1957.8130 105.5630 -206166.7811 18020.0450 0.0000 0.0000 34288.0742 -149001.2259 299.4463 -183289.3001 -148904.5619 299.9245 119.6684 154.6244 558090.0278 4.9378 4.9335 PRESSURE: 4201400 -76.2835 96.0527 -242.01 96.0532 -13.4561 -50.838 -242.01 -50.8385 -65.9958 GPRESSURE: 4201400 -12.7781 96.7672 -213.979 106.214 18.1034 -46.3833 -239.323 -91.9766 -61.8973 PRESSAVG: 4201400 0.254744 34.9357 -21.8152 34.9358 64.6708 10.8996 -21.8152 10.8997 -16.6908 GPRESSAVG: 4201400 0.0674768 35.4142 -24.5177 36.5303 63.0334 9.40159 -21.9187 11.1245 -15.298 TIMING: 4201400 CPU: 12629.2, 0.00298207/step Wall: 12629.2, 0.00298207/step, 0.661522 hours remaining, 210.210938 MB of memory in use. ENERGY: 4201400 720.2351 2099.0101 1935.3380 121.1905 -205802.7866 17607.1621 0.0000 0.0000 34309.1423 -149010.7085 299.6303 -183319.8508 -148910.6643 299.5956 -51.9118 -18.8573 558898.9317 16.0782 15.9343 PRESSURE: 4201600 95.2064 78.157 -69.5942 78.1561 18.6396 23.8761 -69.5944 23.8754 -44.7764 GPRESSURE: 4201600 92.7679 52.7821 -65.1714 43.3926 43.6366 19.6912 -117.519 2.11829 29.2415 PRESSAVG: 4201600 59.2356 -10.2355 -27.7673 -10.2355 32.2724 12.0306 -27.7673 12.0307 -62.0865 GPRESSAVG: 4201600 58.0843 -10.5126 -26.0466 -12.1121 31.9207 13.1873 -28.7247 12.4311 -60.2196 TIMING: 4201600 CPU: 12629.8, 0.00296335/step Wall: 12629.8, 0.00296335/step, 0.657206 hours remaining, 210.210938 MB of memory in use. ENERGY: 4201600 766.4161 2048.6998 1908.1099 123.6904 -206121.8079 17873.8643 0.0000 0.0000 34384.9089 -149016.1184 300.2920 -183401.0274 -148917.3708 299.3595 23.0232 55.2153 558041.3169 9.8072 9.9285 PRESSURE: 4201800 -68.2122 -47.0741 -32.4247 -47.0743 -12.4425 58.7971 -32.4259 58.7968 101.835 GPRESSURE: 4201800 -94.293 0.964351 1.64841 -7.0849 45.72 65.5883 -3.27518 39.5209 161.931 PRESSAVG: 4201800 -48.0923 -30.297 5.88175 -30.2971 -20.0461 60.3517 5.88168 60.3516 70.9535 GPRESSAVG: 4201800 -48.6155 -30.8072 5.5547 -29.699 -19.2957 59.9734 7.18362 60.9081 70.5158 TIMING: 4201800 CPU: 12630.4, 0.00295007/step Wall: 12630.4, 0.00295007/step, 0.654096 hours remaining, 210.210938 MB of memory in use. ENERGY: 4201800 737.2223 2094.0573 1936.5623 118.7763 -206112.9348 17903.9966 0.0000 0.0000 34329.4733 -148992.8467 299.8078 -183322.3200 -148893.1277 300.0505 7.0602 37.7860 558623.3595 0.9384 0.8682 PRESSURE: 4202000 -3.94376 -92.061 -232.111 -92.0604 -83.1108 -54.9514 -232.113 -54.9519 -53.6464 GPRESSURE: 4202000 12.7442 35.1966 -128.96 -73.8855 -61.7712 13.4029 -271.495 -88.9292 2.40682 PRESSAVG: 4202000 20.8551 1.88392 -11.3773 1.88394 -42.9747 -5.25308 -11.3773 -5.25313 22.679 GPRESSAVG: 4202000 22.0715 3.54316 -11.2471 1.30844 -44.0832 -4.16622 -12.3599 -4.99227 22.6627 TIMING: 4202000 CPU: 12631, 0.00294094/step Wall: 12631, 0.00294094/step, 0.651908 hours remaining, 210.210938 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: 4202000 753.2640 2087.5834 1916.3737 116.3894 -205891.7910 17706.7802 0.0000 0.0000 34382.0640 -148929.3362 300.2671 -183311.4002 -148825.2613 300.2969 -46.9003 -15.5400 558491.4803 0.1865 0.2170 PRESSURE: 4202200 -176.263 -185.523 36.2519 -185.525 -87.375 137.09 36.2524 137.089 183.574 GPRESSURE: 4202200 -166.33 -207.824 31.7101 -231.395 -43.3616 136.031 -76.2622 52.7094 211.982 PRESSAVG: 4202200 -12.8307 -22.8801 -11.526 -22.8801 -0.947733 23.6987 -11.526 23.6986 1.31447 GPRESSAVG: 4202200 -13.1609 -23.8823 -12.2695 -21.7151 -0.0502265 23.6159 -11.918 22.6576 0.894838 TIMING: 4202200 CPU: 12631.6, 0.00296614/step Wall: 12631.6, 0.00296614/step, 0.65733 hours remaining, 210.210938 MB of memory in use. ENERGY: 4202200 731.4499 2042.5987 1894.6320 120.2854 -205719.1577 17690.0695 0.0000 0.0000 34275.5010 -148964.6212 299.3365 -183240.1223 -148865.2058 300.1461 -26.6880 0.7637 559111.1239 -4.1546 -4.1054 PRESSURE: 4202400 -118.239 93.6269 -56.0147 93.6274 -244.311 190.716 -56.015 190.716 -231.011 GPRESSURE: 4202400 -83.4021 111.909 -50.0265 90.1827 -178.641 293.672 -106.108 125.697 -238.871 PRESSAVG: 4202400 -26.7841 35.5376 13.8078 35.5376 -33.9622 53.6223 13.8079 53.6223 33.8186 GPRESSAVG: 4202400 -28.4622 35.5769 13.4539 33.8974 -31.8558 53.088 13.3329 51.8612 33.2686 TIMING: 4202400 CPU: 12632.2, 0.0029476/step Wall: 12632.2, 0.0029476/step, 0.653057 hours remaining, 210.210938 MB of memory in use. ENERGY: 4202400 772.3148 2073.0770 1917.4782 89.6610 -205503.2595 17417.6333 0.0000 0.0000 34353.2936 -148879.8014 300.0159 -183233.0951 -148770.7918 299.5576 -197.8536 -166.9715 560226.9294 -8.9759 -9.0165 PRESSURE: 4202600 -20.0587 62.5936 23.4123 62.5953 80.7944 -129.494 23.4129 -129.494 -82.0534 GPRESSURE: 4202600 -18.8164 55.0159 -3.02799 96.7836 120.39 -202.776 55.1956 -127.978 -26.0437 PRESSAVG: 4202600 -73.8899 52.6559 -30.4658 52.6559 -24.3933 -13.6461 -30.4658 -13.6463 93.1132 GPRESSAVG: 4202600 -72.7369 51.7518 -29.4728 54.8295 -26.7988 -12.6259 -28.8313 -10.5197 93.5173 TIMING: 4202600 CPU: 12632.8, 0.00298018/step Wall: 12632.8, 0.00298018/step, 0.66011 hours remaining, 210.210938 MB of memory in use. ENERGY: 4202600 733.2185 2063.4640 1932.5522 117.3954 -205753.6174 17795.7803 0.0000 0.0000 34346.2319 -148764.9752 299.9542 -183111.2071 -148675.7207 299.6229 -7.1059 25.1768 558338.2231 -1.7233 -2.0062 PRESSURE: 4202800 72.5779 32.3573 161.382 32.3575 123.177 42.4507 161.382 42.4529 -40.1668 GPRESSURE: 4202800 101.968 12.925 309.433 97.5535 154.226 56.2713 103.414 32.4447 3.04363 PRESSAVG: 4202800 -12.3444 24.848 26.9749 24.848 -49.5223 -46.3265 26.9749 -46.3265 60.5748 GPRESSAVG: 4202800 -11.4751 25.1076 26.3348 23.6006 -49.5071 -45.9983 27.0234 -47.9552 59.7395 TIMING: 4202800 CPU: 12633.4, 0.0029843/step Wall: 12633.4, 0.0029843/step, 0.660856 hours remaining, 210.210938 MB of memory in use. ENERGY: 4202800 711.4077 2118.8387 1947.1686 119.3585 -205817.7737 17758.2748 0.0000 0.0000 34370.0204 -148792.7051 300.1619 -183162.7255 -148702.0339 299.7757 51.8627 86.4124 558863.9783 -0.4307 -0.4142 PRESSURE: 4203000 -21.5861 83.8721 145.224 83.8721 89.4638 78.5757 145.225 78.576 325.288 GPRESSURE: 4203000 50.0788 148.811 214.67 -8.108 56.733 39.5925 175.147 95.5435 383.35 PRESSAVG: 4203000 -11.0566 48.6542 65.7106 48.6543 61.4673 28.5471 65.7106 28.547 -9.60028 GPRESSAVG: 4203000 -12.9402 48.8022 66.0878 48.3969 61.4366 26.2373 65.579 30.5247 -6.88209 TIMING: 4203000 CPU: 12634, 0.00297719/step Wall: 12634, 0.00297719/step, 0.659116 hours remaining, 210.210938 MB of memory in use. ENERGY: 4203000 719.9498 2106.4365 1934.3607 111.4239 -205752.7689 17753.6291 0.0000 0.0000 34194.0744 -148932.8945 298.6254 -183126.9689 -148837.6869 300.4320 131.0554 163.3871 558329.0086 13.6035 13.8714 PRESSURE: 4203200 -99.6976 175.848 -14.417 175.849 -314.187 176.757 -14.4161 176.758 5.86237 GPRESSURE: 4203200 -39.2766 171.876 -24.7977 200.81 -264.087 124.34 -21.4336 196.216 -5.42622 PRESSAVG: 4203200 -46.7458 44.7488 32.4722 44.7488 37.2063 -1.21927 32.4721 -1.21922 25.0533 GPRESSAVG: 4203200 -44.998 45 31.757 43.3812 37.1076 0.846842 33.534 -2.72852 23.6092 TIMING: 4203200 CPU: 12634.6, 0.00299851/step Wall: 12634.6, 0.00299851/step, 0.663669 hours remaining, 210.210938 MB of memory in use. ENERGY: 4203200 724.7736 2091.5066 1923.4259 119.1557 -205856.7233 17601.8144 0.0000 0.0000 34466.9596 -148929.0874 301.0085 -183396.0470 -148830.3041 299.9343 -136.0074 -102.9300 558159.1495 5.1713 5.2396 PRESSURE: 4203400 -57.6039 104.26 47.1885 104.259 -141.086 22.9289 47.1878 22.9277 -140.895 GPRESSURE: 4203400 -29.5895 17.4981 7.33069 91.6467 -77.911 17.9451 105.022 88.6833 -133.711 PRESSAVG: 4203400 16.0306 8.86054 25.8388 8.86053 -5.11096 6.99352 25.8388 6.99355 6.66688 GPRESSAVG: 4203400 14.831 8.42621 26.0641 11.911 -4.94896 5.68638 25.7649 9.13669 7.90866 TIMING: 4203400 CPU: 12635.2, 0.00298536/step Wall: 12635.2, 0.00298536/step, 0.660594 hours remaining, 210.210938 MB of memory in use. ENERGY: 4203400 736.4141 2057.4233 1887.1527 123.6527 -205346.6085 17367.0215 0.0000 0.0000 34342.1530 -148832.7912 299.9186 -183174.9443 -148743.0735 299.8296 -113.1948 -80.4037 558357.4503 5.8622 5.9302 PRESSURE: 4203600 337.875 8.92028 -62.6181 8.92123 203.077 102.851 -62.6187 102.85 92.5928 GPRESSURE: 4203600 352.067 -20.865 -81.724 -4.96111 209.266 114.817 5.60067 118.144 164.953 PRESSAVG: 4203600 -4.77662 -5.01161 -5.20906 -5.01169 20.7259 11.4974 -5.20912 11.4972 -31.4687 GPRESSAVG: 4203600 -3.47385 -3.70097 -3.69953 -6.17275 20.4003 11.0969 -5.98074 10.6068 -32.1689 TIMING: 4203600 CPU: 12635.8, 0.00296927/step Wall: 12635.8, 0.00296927/step, 0.65687 hours remaining, 210.210938 MB of memory in use. ENERGY: 4203600 716.9475 2097.4397 1946.5941 107.7331 -206175.9365 18058.2962 0.0000 0.0000 34464.4723 -148784.4536 300.9868 -183248.9259 -148693.3296 300.3889 211.1815 242.0952 557819.2415 -5.1731 -5.0808 PRESSURE: 4203800 133.053 -30.9658 -9.70941 -30.9669 -291.925 -89.1396 -9.70967 -89.1398 2.07317 GPRESSURE: 4203800 164.741 -28.8918 5.02126 -15.7841 -231.342 -110.143 -130.353 -40.7085 3.82544 PRESSAVG: 4203800 45.2472 9.75937 -16.843 9.7594 -1.88307 -18.9254 -16.843 -18.9255 -23.5659 GPRESSAVG: 4203800 45.5353 9.32592 -17.3195 8.6715 -2.48893 -17.7371 -18.0524 -20.566 -22.9087 TIMING: 4203800 CPU: 12636.4, 0.00295134/step Wall: 12636.4, 0.00295134/step, 0.652738 hours remaining, 210.210938 MB of memory in use. ENERGY: 4203800 745.9263 2023.2100 1958.2005 104.2479 -205752.5977 17733.5283 0.0000 0.0000 34282.2312 -148905.2536 299.3953 -183187.4848 -148798.3338 300.1900 -52.2662 -20.9253 558139.9789 6.5994 6.7126 PRESSURE: 4204000 -148.616 -38.8716 -20.3706 -38.8716 239.104 -31.5204 -20.3713 -31.5195 -94.5452 GPRESSURE: 4204000 -116.755 -57.756 21.3201 -41.5597 325.589 10.4446 -67.3741 -53.7158 -111.124 PRESSAVG: 4204000 41.0929 -4.12518 -8.81596 -4.12518 -60.5758 -23.2374 -8.81605 -23.2375 5.63947 GPRESSAVG: 4204000 40.2544 -3.66053 -8.19708 -2.36049 -59.0879 -24.8579 -8.12708 -22.1226 5.74311 TIMING: 4204000 CPU: 12637, 0.00296459/step Wall: 12637, 0.00296459/step, 0.655504 hours remaining, 210.210938 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: 4204000 737.7767 2077.5022 1927.8780 128.4191 -205947.2765 17804.7067 0.0000 0.0000 34273.7976 -148997.1962 299.3216 -183270.9938 -148895.9494 300.1798 -1.3524 32.5697 558394.3248 -4.6145 -4.3635 PRESSURE: 4204200 143.98 39.9588 24.0319 39.9581 -19.124 -104.407 24.0311 -104.407 247.949 GPRESSURE: 4204200 180.391 -5.34339 -9.9281 57.9357 8.44893 -121.701 -16.059 -87.0602 272.124 PRESSAVG: 4204200 42.3739 4.25222 -49.3249 4.25216 -17.7896 -2.71841 -49.325 -2.71845 -31.1251 GPRESSAVG: 4204200 42.9719 4.176 -50.2432 2.66603 -17.6121 -1.33989 -47.2442 -2.49311 -31.3513 TIMING: 4204200 CPU: 12637.5, 0.00295177/step Wall: 12637.5, 0.00295177/step, 0.652504 hours remaining, 210.210938 MB of memory in use. ENERGY: 4204200 768.9949 2095.5777 1911.6191 107.2305 -206154.0544 17917.9126 0.0000 0.0000 34233.7749 -149118.9447 298.9721 -183352.7196 -149021.9414 299.9336 124.2681 153.6545 558541.2122 -2.1803 -1.9972 LDB: ============= START OF LOAD BALANCING ============== 12641.1 LDB: ============== END OF LOAD BALANCING =============== 12641.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12641.1 LDB: ============= START OF LOAD BALANCING ============== 12641.4 LDB: Largest compute 4773 load 0.028702 is 24.3% of average load 0.118087 LDB: Average compute 0.001735 is 1.5% of average load 0.118087 LDB: TIME 12641.4 LOAD: AVG 0.118087 MAX 0.203405 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.637 MB LDB: TIME 12641.4 LOAD: AVG 0.118087 MAX 0.203405 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.762 MB LDB: TIME 12641.4 LOAD: AVG 0.118087 MAX 0.203405 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.762 MB LDB: ============== END OF LOAD BALANCING =============== 12641.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12641.4 PRESSURE: 4204400 97.6674 95.2219 10.4662 95.2222 21.6975 -188.841 10.4665 -188.841 -86.5066 GPRESSURE: 4204400 94.8859 81.3546 -48.0347 8.06219 41.4477 -148.349 -29.0356 -232.758 -15.4696 PRESSAVG: 4204400 -16.5214 25.7947 16.9374 25.7948 7.35546 -41.5309 16.9373 -41.5309 8.70282 GPRESSAVG: 4204400 -16.7803 23.798 15.7936 27.2433 6.63203 -41.1832 14.0957 -42.1114 9.1604 TIMING: 4204400 CPU: 12638.1, 0.00301213/step Wall: 12638.1, 0.00301213/step, 0.66568 hours remaining, 213.175781 MB of memory in use. ENERGY: 4204400 742.2012 2106.6784 1946.6263 121.6113 -206126.6864 17786.3110 0.0000 0.0000 34105.2537 -149318.0044 297.8497 -183423.2580 -149226.3699 299.3776 10.9528 40.2880 557710.0984 -0.1544 -0.3293 PRESSURE: 4204600 30.1245 6.33468 57.7863 6.33512 19.0078 72.5025 57.7878 72.5024 60.0437 GPRESSURE: 4204600 15.3075 -12.6427 15.4422 49.1159 121.934 153.96 67.1922 55.9317 80.0549 PRESSAVG: 4204600 25.4693 28.8082 -31.9719 28.8082 12.6513 -4.36725 -31.9718 -4.36731 2.02261 GPRESSAVG: 4204600 25.1337 29.8851 -29.1147 28.4146 12.3702 -3.75734 -30.2908 -7.261 2.49943 TIMING: 4204600 CPU: 12638.7, 0.00294024/step Wall: 12638.7, 0.00294024/step, 0.64963 hours remaining, 213.187500 MB of memory in use. ENERGY: 4204600 743.7092 2100.4827 1953.8860 114.2197 -206462.8448 17830.8995 0.0000 0.0000 34437.1361 -149282.5116 300.7481 -183719.6477 -149196.2777 299.8218 36.3920 72.4321 557001.9710 13.3811 13.3345 PRESSURE: 4204800 -224.724 12.0163 -77.1482 12.0165 81.3471 -82.9455 -77.1479 -82.9467 297.822 GPRESSURE: 4204800 -190.149 -23.9007 -95.9906 24.3728 135.261 -43.7558 -82.7644 -59.8976 304.719 PRESSAVG: 4204800 42.6571 0.901104 41.1713 0.901117 -44.8674 -2.3078 41.1713 -2.30785 -15.1204 GPRESSAVG: 4204800 43.9017 0.294594 40.1306 0.286436 -44.5498 -4.00221 39.2335 0.74426 -17.0546 TIMING: 4204800 CPU: 12639.3, 0.00294456/step Wall: 12639.3, 0.00294456/step, 0.65042 hours remaining, 213.187500 MB of memory in use. ENERGY: 4204800 747.2651 2059.3897 1942.2034 114.0059 -206543.4994 17992.8126 0.0000 0.0000 34448.5792 -149239.2436 300.8480 -183687.8228 -149145.2575 298.8994 51.4817 83.2772 556705.7974 -5.7769 -5.9009 PRESSURE: 4205000 -6.89941 56.2046 9.3441 56.204 -213.05 102.056 9.34374 102.056 180.069 GPRESSURE: 4205000 -19.3265 117.901 -22.2065 -25.6356 -204.113 91.0475 39.7507 125.746 273.255 PRESSAVG: 4205000 59.4386 -17.106 27.1059 -17.1061 -39.1051 -63.6275 27.106 -63.6276 29.9883 GPRESSAVG: 4205000 56.9664 -16.1603 26.8302 -17.1219 -37.8965 -63.7922 28.8043 -62.4018 31.0559 TIMING: 4205000 CPU: 12639.9, 0.00292333/step Wall: 12639.9, 0.00292333/step, 0.645568 hours remaining, 213.187500 MB of memory in use. ENERGY: 4205000 753.4415 2040.2945 1939.5012 114.4683 -206356.3552 17700.0988 0.0000 0.0000 34464.9930 -149343.5579 300.9914 -183808.5509 -149249.1961 299.0726 -13.2937 16.6052 555280.4122 16.7740 16.7086 PRESSURE: 4205200 336.307 -153.591 -53.0503 -153.592 144.242 -31.4677 -53.0517 -31.4681 220.122 GPRESSURE: 4205200 340.228 -152.307 -76.5668 -164.786 151.087 -135.457 -21.3771 -1.83433 302.51 PRESSAVG: 4205200 -9.15934 -72.0884 -30.6396 -72.0884 -72.2965 5.3242 -30.6395 5.32412 48.9535 GPRESSAVG: 4205200 -7.69906 -72.0081 -29.308 -72.1406 -73.9022 4.36898 -30.7146 4.80086 48.683 TIMING: 4205200 CPU: 12640.5, 0.00294076/step Wall: 12640.5, 0.00294076/step, 0.649255 hours remaining, 213.312500 MB of memory in use. ENERGY: 4205200 732.0935 2069.0137 1966.7976 111.0135 -206808.4625 17961.9971 0.0000 0.0000 34435.7352 -149531.8119 300.7358 -183967.5471 -149436.2621 298.8830 233.5569 264.6081 555332.1140 -10.8341 -10.9728 PRESSURE: 4205400 150.4 41.0715 50.3224 41.0711 -15.02 23.0565 50.3215 23.0562 182.695 GPRESSURE: 4205400 171.417 51.9167 31.9043 57.0806 29.7319 22.96 93.8815 3.69169 215.691 PRESSAVG: 4205400 9.5143 -14.4615 71.0242 -14.4616 13.3917 12.1901 71.0242 12.19 0.784791 GPRESSAVG: 4205400 11.0402 -13.2093 70.5144 -13.7211 12.9379 14.8756 71.2543 9.43015 -0.579828 TIMING: 4205400 CPU: 12641.1, 0.0029547/step Wall: 12641.1, 0.0029547/step, 0.652168 hours remaining, 213.312500 MB of memory in use. ENERGY: 4205400 742.5927 2108.6122 1936.4134 113.0618 -206676.7766 18057.4064 0.0000 0.0000 34113.2851 -149605.4049 297.9198 -183718.6901 -149512.8440 298.2780 106.0252 138.9465 556912.4959 7.8969 7.7994 PRESSURE: 4205600 -137.318 -13.1008 42.6166 -13.1009 -343.165 -110.596 42.6161 -110.597 -267.393 GPRESSURE: 4205600 -110.551 -46.1988 94.1869 19.8689 -295.01 -80.014 49.9433 -156.425 -262.937 PRESSAVG: 4205600 63.9172 -53.2025 -50.5665 -53.2025 -94.4136 14.904 -50.5666 14.9041 54.6379 GPRESSAVG: 4205600 62.6862 -55.0271 -49.7345 -52.6535 -93.9486 14.409 -50.8328 18.8032 55.6489 TIMING: 4205600 CPU: 12641.7, 0.00296911/step Wall: 12641.7, 0.00296911/step, 0.655184 hours remaining, 213.312500 MB of memory in use. ENERGY: 4205600 747.2431 2033.2284 1957.5822 109.9598 -206353.7823 17607.8723 0.0000 0.0000 34374.6353 -149523.2610 300.2022 -183897.8963 -149426.4507 298.8736 -249.2920 -222.8326 557825.8368 8.0472 8.1288 PRESSURE: 4205800 -358.183 2.34585 84.0556 2.34569 -201.039 31.5651 84.0569 31.565 -32.6592 GPRESSURE: 4205800 -326.49 -120.968 38.0121 64.4334 -177.379 37.5306 83.022 52.027 11.8677 PRESSAVG: 4205800 79.8617 3.34181 0.317604 3.34188 -98.1041 -1.1111 0.317647 -1.11107 39.4182 GPRESSAVG: 4205800 79.096 3.12063 -1.58003 2.7389 -97.6036 -2.42827 -0.677138 -2.54532 39.912 TIMING: 4205800 CPU: 12642.3, 0.00295254/step Wall: 12642.3, 0.00295254/step, 0.651363 hours remaining, 213.312500 MB of memory in use. ENERGY: 4205800 757.7698 2139.2347 1944.0796 110.4672 -206510.0819 17645.2500 0.0000 0.0000 34304.8038 -149608.4767 299.5924 -183913.2805 -149515.6515 298.8325 -197.2937 -164.0006 556770.3024 7.0586 7.1348 PRESSURE: 4206000 -175.981 197.719 123.702 197.718 -126.328 -13.4928 123.701 -13.4933 22.6124 GPRESSURE: 4206000 -153.26 113.738 168.601 187.504 -99.6918 9.08165 176.173 -38.9616 57.1321 PRESSAVG: 4206000 42.2503 -5.82452 18.739 -5.82448 -24.7979 -14.9213 18.739 -14.9213 5.35463 GPRESSAVG: 4206000 42.0507 -4.28962 18.4286 -5.823 -24.8118 -14.1806 20.86 -16.6996 6.15638 TIMING: 4206000 CPU: 12642.9, 0.00297476/step Wall: 12642.9, 0.00297476/step, 0.656101 hours remaining, 213.382812 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: 4206000 744.0390 2146.9637 1942.5201 102.3538 -206595.8243 17667.9844 0.0000 0.0000 34258.6337 -149733.3295 299.1892 -183991.9632 -149636.2739 298.9491 -93.2321 -65.2732 558239.4213 7.6023 7.7984 PRESSURE: 4206200 -19.2658 -54.6118 -127.022 -54.612 50.6064 -26.6697 -127.021 -26.67 -37.3187 GPRESSURE: 4206200 8.03004 -60.9384 -123.709 -34.2451 127.216 -42.1932 -122.35 -28.521 -36.8126 PRESSAVG: 4206200 32.3679 61.6039 31.8887 61.6039 -6.8561 -9.54511 31.8887 -9.54519 -38.0237 GPRESSAVG: 4206200 32.9973 60.1546 34.0838 60.2403 -6.41011 -10.7623 31.6039 -8.77774 -38.7349 TIMING: 4206200 CPU: 12643.5, 0.00297448/step Wall: 12643.5, 0.00297448/step, 0.655873 hours remaining, 213.382812 MB of memory in use. ENERGY: 4206200 749.1877 2118.9729 1934.6502 107.8008 -206572.8435 17842.6860 0.0000 0.0000 33963.1309 -149856.4151 296.6085 -183819.5460 -149767.2951 298.1848 -1.9927 32.8112 556576.3349 -4.1706 -4.0492 PRESSURE: 4206400 -42.0335 -121.778 11.6955 -121.779 -238.556 -108.737 11.6951 -108.739 -535.08 GPRESSURE: 4206400 -38.9009 -117.734 50.2857 -127.151 -223.531 -152.126 -19.1471 -71.5335 -462.502 PRESSAVG: 4206400 12.3982 -3.24312 5.90165 -3.24307 30.0496 -48.0337 5.90175 -48.0338 -4.83119 GPRESSAVG: 4206400 12.1953 -1.74162 3.98801 -3.40754 30.0487 -46.8398 4.86499 -48.0528 -3.75828 TIMING: 4206400 CPU: 12644.1, 0.00295435/step Wall: 12644.1, 0.00295435/step, 0.65127 hours remaining, 213.382812 MB of memory in use. ENERGY: 4206400 799.1495 2081.1195 1930.7532 121.2295 -206536.5208 17752.8481 0.0000 0.0000 34271.1502 -149580.2709 299.2985 -183851.4210 -149481.7857 297.9892 -271.8899 -241.6447 557927.7821 12.5389 12.8286 PRESSURE: 4206600 -204.137 137.058 -93.5235 137.058 41.0014 -45.9661 -93.5236 -45.9663 102.438 GPRESSURE: 4206600 -136.735 46.4191 -43.3021 235.5 100.134 -193.359 -130.538 30.2616 66.9214 PRESSAVG: 4206600 20.6163 44.2854 19.3763 44.2855 5.30309 -9.10808 19.3763 -9.10809 -0.651932 GPRESSAVG: 4206600 21.3739 44.4178 17.9362 43.8977 5.69924 -9.08156 19.1845 -8.10872 -1.69858 TIMING: 4206600 CPU: 12644.6, 0.00295939/step Wall: 12644.6, 0.00295939/step, 0.652216 hours remaining, 213.382812 MB of memory in use. ENERGY: 4206600 716.4035 2130.9315 1947.6675 109.8318 -206497.7797 17875.2384 0.0000 0.0000 34167.9931 -149549.7139 298.3976 -183717.7070 -149452.2853 298.2651 -20.2322 10.1070 559094.6973 8.4225 8.4582 PRESSURE: 4206800 -362.024 13.5178 120.798 13.5183 -72.0907 -50.7085 120.798 -50.7067 -53.8977 GPRESSURE: 4206800 -343.175 -55.6759 107.854 60.983 -52.7333 15.5458 120.745 -56.5348 -2.64596 PRESSAVG: 4206800 -10.5141 -8.4276 -12.575 -8.4274 42.9122 -31.0089 -12.5751 -31.0089 -78.775 GPRESSAVG: 4206800 -10.0449 -8.19935 -11.2207 -8.06767 42.6902 -29.1679 -12.8919 -31.5338 -78.7767 TIMING: 4206800 CPU: 12645.2, 0.00295243/step Wall: 12645.2, 0.00295243/step, 0.650518 hours remaining, 213.382812 MB of memory in use. ENERGY: 4206800 745.4917 2062.4061 1933.4453 110.9893 -206316.3086 17661.8385 0.0000 0.0000 34143.9364 -149658.2013 298.1875 -183802.1377 -149558.8160 299.0129 -162.6708 -132.8515 557399.0279 -15.4590 -15.3771 PRESSURE: 4207000 -131.838 146.661 188.034 146.66 202.204 59.5544 188.033 59.5542 148.353 GPRESSURE: 4207000 -87.9061 138.544 289.219 111.878 245.282 12.2431 105.541 78.8361 157.264 PRESSAVG: 4207000 -52.8726 -12.6485 -19.2389 -12.6484 30.5328 67.9494 -19.2389 67.9494 43.1806 GPRESSAVG: 4207000 -53.301 -14.6412 -17.6212 -12.3752 31.7757 65.9309 -19.111 68.5965 42.8796 TIMING: 4207000 CPU: 12645.8, 0.00295621/step Wall: 12645.8, 0.00295621/step, 0.651187 hours remaining, 213.382812 MB of memory in use. ENERGY: 4207000 762.6476 2091.0413 1945.6196 112.9869 -206470.4230 17962.6438 0.0000 0.0000 34007.9832 -149587.5007 297.0002 -183595.4839 -149495.6167 298.3853 72.9067 104.8800 557274.7965 6.9469 7.1181 PRESSURE: 4207200 -135.106 186.601 71.8944 186.601 -128.407 -68.776 71.8932 -68.7775 -125.481 GPRESSURE: 4207200 -119.493 202.26 109.315 183.172 -113.818 -83.7554 131.62 -19.0494 -63.4211 PRESSAVG: 4207200 -17.1803 -47.2959 18.0132 -47.2958 -88.1873 47.523 18.0132 47.523 93.3265 GPRESSAVG: 4207200 -16.3041 -46.6327 15.5553 -47.8722 -88.6987 48.573 19.9347 46.2868 93.1314 TIMING: 4207200 CPU: 12646.4, 0.00295897/step Wall: 12646.4, 0.00295897/step, 0.651631 hours remaining, 213.382812 MB of memory in use. ENERGY: 4207200 697.7385 2150.3418 1918.6228 125.7043 -206174.2259 17479.1393 0.0000 0.0000 34153.5025 -149649.1768 298.2710 -183802.6793 -149551.6859 298.0328 -129.6648 -98.9106 557262.2619 -4.0137 -3.9572 PRESSURE: 4207400 -171.733 41.6514 -15.9428 41.6496 -96.4822 27.8937 -15.9423 27.8927 -78.5259 GPRESSURE: 4207400 -185.951 69.6705 12.7054 -24.9325 -72.0645 -24.2925 10.1902 64.6023 13.0797 PRESSAVG: 4207400 -43.9734 10.3908 57.3798 10.3908 25.1621 -23.5395 57.3798 -23.5394 36.42 GPRESSAVG: 4207400 -44.4859 10.0139 60.1939 12.6007 24.8218 -23.5531 56.6632 -23.0512 37.0673 TIMING: 4207400 CPU: 12647, 0.00297912/step Wall: 12647, 0.00297912/step, 0.655904 hours remaining, 213.382812 MB of memory in use. ENERGY: 4207400 720.5600 2064.4360 1959.2643 101.7628 -206321.1846 17844.3424 0.0000 0.0000 33961.8246 -149668.9944 296.5971 -183630.8190 -149579.1933 298.2272 -115.5803 -81.6453 557757.2284 5.8696 5.8011 PRESSURE: 4207600 -9.29847 -93.5368 -8.5278 -93.535 -57.2453 154.626 -8.52696 154.624 -24.0338 GPRESSURE: 4207600 48.7361 -30.4307 69.9953 -69.0773 -66.7278 192.204 67.6379 136.425 20.1108 PRESSAVG: 4207600 66.2821 3.38148 -31.8674 3.38162 -38.1209 39.0747 -31.8673 39.0747 -12.5184 GPRESSAVG: 4207600 67.1643 5.00732 -33.6488 0.82751 -37.4889 39.1257 -31.6441 40.9489 -13.2095 TIMING: 4207600 CPU: 12647.6, 0.00296812/step Wall: 12647.6, 0.00296812/step, 0.653315 hours remaining, 213.382812 MB of memory in use. ENERGY: 4207600 773.0352 2067.2494 1949.9809 105.3294 -206177.0921 17645.3841 0.0000 0.0000 34152.5567 -149483.5564 298.2628 -183636.1131 -149388.9755 297.6688 -30.1925 0.7063 555277.3102 5.2143 5.4886 PRESSURE: 4207800 -260.542 137.009 56.193 137.009 -83.4763 51.0779 56.1945 51.0782 -236.094 GPRESSURE: 4207800 -272.42 131.602 7.11957 110.905 -30.8248 27.9446 72.0024 98.7589 -188.417 PRESSAVG: 4207800 4.2385 -27.697 83.4045 -27.697 32.1244 34.8597 83.4044 34.8598 -57.0183 GPRESSAVG: 4207800 2.66447 -28.0591 83.5059 -25.6111 32.5044 34.7803 83.1533 34.4935 -56.3812 TIMING: 4207800 CPU: 12648.2, 0.0030232/step Wall: 12648.2, 0.0030232/step, 0.665271 hours remaining, 213.382812 MB of memory in use. ENERGY: 4207800 753.3144 2133.3748 1957.7876 115.6182 -206419.2226 17578.2379 0.0000 0.0000 34444.4694 -149436.4202 300.8121 -183880.8896 -149333.9983 297.7166 -193.3705 -163.8873 556522.0929 -6.8851 -7.0708 PRESSURE: 4208000 -462.112 18.7846 24.0968 18.7842 -103.657 147.925 24.0955 147.925 -252.697 GPRESSURE: 4208000 -378.072 133.599 -48.6441 38.3593 -122.824 226.843 2.37434 106.091 -224.712 PRESSAVG: 4208000 -0.290951 44.1096 16.1604 44.1096 -46.4126 48.3866 16.1602 48.3864 27.4194 GPRESSAVG: 4208000 1.51246 43.596 17.0951 41.458 -46.5588 48.0489 14.2271 48.9984 26.6125 TIMING: 4208000 CPU: 12648.8, 0.00302418/step Wall: 12648.8, 0.00302418/step, 0.66532 hours remaining, 213.382812 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: 4208000 753.9619 2087.7672 1942.3166 105.6869 -206283.0369 17540.8559 0.0000 0.0000 34263.2014 -149589.2472 299.2291 -183852.4485 -149490.6466 298.0464 -272.8221 -241.8693 557671.1962 -6.4280 -6.1446 PRESSURE: 4208200 178.353 195.154 -198.977 195.153 -279.313 -213.766 -198.977 -213.766 -126.321 GPRESSURE: 4208200 170.407 187.43 -227.988 158.857 -237.608 -162.745 -186.037 -182.585 -57.9205 PRESSAVG: 4208200 -0.748086 77.2854 10.1038 77.2855 -11.7664 41.9403 10.1038 41.9404 28.1255 GPRESSAVG: 4208200 -1.14303 77.1897 10.6331 80.5528 -12.691 40.4697 11.6288 41.7887 29.866 TIMING: 4208200 CPU: 12649.4, 0.00299511/step Wall: 12649.4, 0.00299511/step, 0.658758 hours remaining, 213.382812 MB of memory in use. ENERGY: 4208200 780.3000 2150.1041 1941.2681 108.3563 -206458.3124 17851.1799 0.0000 0.0000 34075.6963 -149551.4078 297.5915 -183627.1040 -149452.4873 298.7648 -75.7604 -41.7070 558559.4769 5.2037 5.3440 LDB: ============= START OF LOAD BALANCING ============== 12652.9 LDB: ============== END OF LOAD BALANCING =============== 12652.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12652.9 LDB: ============= START OF LOAD BALANCING ============== 12653.2 LDB: Largest compute 4773 load 0.031660 is 26.8% of average load 0.118245 LDB: Average compute 0.001735 is 1.5% of average load 0.118245 LDB: TIME 12653.2 LOAD: AVG 0.118245 MAX 0.203084 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.918 MB LDB: TIME 12653.2 LOAD: AVG 0.118245 MAX 0.203084 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.918 MB LDB: TIME 12653.2 LOAD: AVG 0.118245 MAX 0.203084 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.918 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12653.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12653.2 PRESSURE: 4208400 -184.557 100.917 25.1454 100.916 -8.00865 -56.949 25.1458 -56.9502 67.9331 GPRESSURE: 4208400 -179.489 30.8169 27.8281 78.5474 -10.2707 9.93936 105.045 -129.568 156.432 PRESSAVG: 4208400 -29.9542 -27.5989 -11.7875 -27.5989 23.5321 -21.0714 -11.7875 -21.0714 40.0716 GPRESSAVG: 4208400 -29.1437 -27.9676 -10.6884 -29.9014 24.2808 -20.0151 -10.1282 -21.1726 38.5247 TIMING: 4208400 CPU: 12650, 0.00304132/step Wall: 12650, 0.00304132/step, 0.668751 hours remaining, 208.421875 MB of memory in use. ENERGY: 4208400 712.0185 2099.5456 1954.3023 106.6639 -206163.0827 17710.0120 0.0000 0.0000 33991.9429 -149588.5974 296.8601 -183580.5404 -149487.4513 297.8898 -41.5441 -11.1093 558329.5107 11.2165 11.2206 PRESSURE: 4208600 -44.8799 49.3873 122.86 49.3869 191.424 -113.537 122.86 -113.536 330.447 GPRESSURE: 4208600 -16.7249 -15.5003 132.473 54.4716 209.826 -101.801 88.1248 -141.555 371.812 PRESSAVG: 4208600 -53.3442 59.0473 22.5182 59.0473 5.06804 11.6662 22.5182 11.6662 8.90308 GPRESSAVG: 4208600 -54.8043 58.2264 21.7553 59.7792 6.199 13.101 20.2074 8.74204 9.36948 TIMING: 4208600 CPU: 12650.6, 0.00296476/step Wall: 12650.6, 0.00296476/step, 0.651753 hours remaining, 208.421875 MB of memory in use. ENERGY: 4208600 716.6280 2124.1532 1944.1336 108.2495 -206706.0686 18119.5764 0.0000 0.0000 34088.8414 -149604.4864 297.7063 -183693.3278 -149502.4049 298.3877 158.9970 188.3042 557824.1061 -13.1244 -13.0786 PRESSURE: 4208800 -35.178 143.843 130.785 143.842 -94.3479 16.804 130.786 16.8047 -298.401 GPRESSURE: 4208800 36.7657 167.142 107.748 87.2205 -117.108 49.8519 86.5993 24.3761 -267.936 PRESSAVG: 4208800 41.6981 -26.4601 35.6755 -26.4601 9.11457 -26.6457 35.6755 -26.6457 -42.3814 GPRESSAVG: 4208800 41.5228 -23.4794 34.4135 -26.1496 7.84065 -29.0293 34.8425 -23.098 -41.0737 TIMING: 4208800 CPU: 12651.2, 0.00297974/step Wall: 12651.2, 0.00297974/step, 0.654881 hours remaining, 208.421875 MB of memory in use. ENERGY: 4208800 763.3112 2098.1558 1951.4850 120.1640 -206581.1712 17925.5338 0.0000 0.0000 34159.9591 -149562.5623 298.3274 -183722.5215 -149462.4476 297.8829 -142.6425 -116.0928 558603.1754 2.8104 2.7633 PRESSURE: 4209000 -145.465 45.2652 10.8432 45.265 -39.6922 140.617 10.8437 140.617 -13.6759 GPRESSURE: 4209000 -85.6557 102.946 -72.0727 -6.36255 -47.8561 67.3285 59.2975 126.548 34.4986 PRESSAVG: 4209000 33.2618 11.7789 29.4324 11.7788 55.6687 1.80024 29.4324 1.80023 -37.6952 GPRESSAVG: 4209000 35.4124 10.8181 29.8597 11.0096 55.7186 0.341234 29.7644 2.44477 -39.9889 TIMING: 4209000 CPU: 12651.8, 0.00296337/step Wall: 12651.8, 0.00296337/step, 0.651118 hours remaining, 208.421875 MB of memory in use. ENERGY: 4209000 738.5876 2107.0988 1943.7685 124.3127 -206792.1995 18148.6567 0.0000 0.0000 34190.3080 -149539.4673 298.5925 -183729.7753 -149445.4792 298.6392 -66.2778 -33.0044 558758.2495 17.0785 17.0474 PRESSURE: 4209200 -184.43 24.8218 -123.181 24.8208 -19.0663 15.3454 -123.181 15.3433 0.70537 GPRESSURE: 4209200 -166.417 -39.507 -98.6554 -17.2254 14.2235 40.8058 -120.183 -59.4091 47.0185 PRESSAVG: 4209200 -8.98287 -28.8161 -37.6727 -28.8161 -4.54489 -28.7303 -37.6728 -28.7302 18.2014 GPRESSAVG: 4209200 -9.16641 -30.0054 -37.3588 -27.6831 -4.52578 -26.0985 -38.2875 -31.8459 18.8588 TIMING: 4209200 CPU: 12652.4, 0.00294721/step Wall: 12652.4, 0.00294721/step, 0.647403 hours remaining, 208.421875 MB of memory in use. ENERGY: 4209200 709.7205 2079.5897 1927.2114 118.9526 -206231.5528 17751.6120 0.0000 0.0000 33949.6222 -149694.8446 296.4905 -183644.4667 -149594.3146 298.4066 -67.5969 -35.0583 558500.3255 1.5579 1.7222 PRESSURE: 4209400 122.793 -77.6704 -83.1582 -77.6696 132.028 -52.5178 -83.1592 -52.5197 176.636 GPRESSURE: 4209400 185.22 -85.6718 -163.334 -62.278 118.952 -50.7064 -126.735 -79.7558 231.289 PRESSAVG: 4209400 -10.241 -14.1043 -22.2436 -14.1044 -1.04846 -11.5381 -22.2437 -11.538 -0.761323 GPRESSAVG: 4209400 -11.8871 -11.2915 -24.5214 -16.3813 0.112331 -13.5306 -20.3297 -9.87678 -0.374186 TIMING: 4209400 CPU: 12653, 0.00296618/step Wall: 12653, 0.00296618/step, 0.651406 hours remaining, 208.656250 MB of memory in use. ENERGY: 4209400 740.8542 2068.6783 1916.3714 109.2114 -206614.0491 18111.8280 0.0000 0.0000 34274.5146 -149392.5912 299.3279 -183667.1058 -149292.9862 298.6486 143.8194 178.4871 557560.0729 -4.0169 -4.0496 PRESSURE: 4209600 169.406 35.134 -157.446 35.1354 18.5013 4.23148 -157.445 4.23253 -154.828 GPRESSURE: 4209600 208.305 -4.65359 -128.582 0.105312 39.4832 -37.3852 -46.6107 31.2243 -117.134 PRESSAVG: 4209600 -44.4929 -35.6821 -51.73 -35.6821 115.961 -1.26696 -51.7301 -1.26712 -85.1752 GPRESSAVG: 4209600 -44.0098 -39.3944 -49.612 -32.8933 115.632 0.631443 -50.8582 -3.13253 -85.1884 TIMING: 4209600 CPU: 12653.6, 0.002955/step Wall: 12653.6, 0.002955/step, 0.648787 hours remaining, 208.656250 MB of memory in use. ENERGY: 4209600 715.9136 2103.1399 1942.8025 114.5577 -206221.7007 17877.3184 0.0000 0.0000 34136.4615 -149331.5073 298.1222 -183467.9687 -149233.5717 299.0688 11.0265 43.5515 558582.8000 -4.5692 -4.5219 PRESSURE: 4209800 -231.167 1.72819 -77.6833 1.728 23.8079 -14.611 -77.6838 -14.6094 -102.726 GPRESSURE: 4209800 -219.473 29.1559 10.2761 -23.8209 65.3419 -45.8416 -48.2561 -29.1184 -52.1965 PRESSAVG: 4209800 -58.0994 -6.69592 -30.7962 -6.69597 76.2295 17.1443 -30.7962 17.1443 -26.7524 GPRESSAVG: 4209800 -58.8694 -5.03965 -31.8415 -6.41943 75.9115 15.8839 -32.0411 18.5317 -25.7536 TIMING: 4209800 CPU: 12654.2, 0.00295322/step Wall: 12654.2, 0.00295322/step, 0.648232 hours remaining, 208.656250 MB of memory in use. ENERGY: 4209800 753.5784 2051.2058 1937.3392 128.5544 -206036.9584 17738.8568 0.0000 0.0000 34150.8853 -149276.5385 298.2482 -183427.4238 -149184.9167 298.9555 -103.3617 -68.7757 557219.1176 -2.8741 -2.9038 PRESSURE: 4210000 -10.4094 76.2139 21.5245 76.2146 11.1577 293.501 21.5251 293.501 98.429 GPRESSURE: 4210000 52.6339 108.123 93.7137 131.906 -8.92955 301.647 -6.24839 250.701 162.055 PRESSAVG: 4210000 2.62408 35.0047 -12.191 35.0046 -16.4625 59.9925 -12.1909 59.9924 24.5737 GPRESSAVG: 4210000 3.03299 33.0723 -10.9291 36.929 -17.3677 61.2401 -11.8458 58.332 25.1364 TIMING: 4210000 CPU: 12654.8, 0.00295406/step Wall: 12654.8, 0.00295406/step, 0.648251 hours remaining, 208.656250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4210000 713.1720 2104.9576 1948.0187 104.3904 -206324.4399 17930.1443 0.0000 0.0000 34160.8657 -149362.8912 298.3353 -183523.7569 -149266.4573 298.8831 33.0591 68.5864 557240.1765 3.5784 3.6006 PRESSURE: 4210200 9.05636 64.4257 -98.5481 64.427 -61.3169 -1.31645 -98.5475 -1.31665 0.598568 GPRESSURE: 4210200 50.3683 15.5787 -49.0165 56.1148 -51.9065 -75.8657 -187.95 33.1607 42.3721 PRESSAVG: 4210200 15.7721 52.7061 -9.1073 52.7061 -29.4727 -53.2551 -9.10731 -53.2551 36.7127 GPRESSAVG: 4210200 16.263 54.5477 -9.36424 50.3417 -28.945 -54.6734 -8.49457 -50.4241 35.9578 TIMING: 4210200 CPU: 12655.4, 0.00296262/step Wall: 12655.4, 0.00296262/step, 0.649966 hours remaining, 208.656250 MB of memory in use. ENERGY: 4210200 758.9633 2119.2793 1949.1916 113.9000 -206456.5938 17900.0499 0.0000 0.0000 34199.0587 -149416.1510 298.6689 -183615.2097 -149317.2744 298.9458 -17.2207 13.6113 558331.3892 7.6707 7.7586 PRESSURE: 4210400 -353.823 -16.1394 77.7618 -16.1394 -549.393 -20.7077 77.7618 -20.7081 -313.704 GPRESSURE: 4210400 -326.595 -84.3056 120.883 37.3074 -516.021 -28.508 5.35927 -30.653 -271.674 PRESSAVG: 4210400 -17.5539 13.0525 -5.91888 13.0525 10.727 -46.0914 -5.91898 -46.0914 -4.95845 GPRESSAVG: 4210400 -18.7067 13.78 -7.94646 12.65 10.8097 -45.7003 -5.69265 -47.472 -4.22077 TIMING: 4210400 CPU: 12655.9, 0.0029683/step Wall: 12655.9, 0.0029683/step, 0.651048 hours remaining, 208.656250 MB of memory in use. ENERGY: 4210400 769.4356 2038.5897 1954.6114 97.8710 -205565.1299 17347.6167 0.0000 0.0000 34103.0355 -149253.9699 297.8303 -183357.0054 -149162.5632 299.0235 -405.6402 -371.4300 560670.2198 -3.9285 -4.0392 PRESSURE: 4210600 -266.258 -60.8935 -144.238 -60.8927 -315.244 96.49 -144.237 96.4892 286.423 GPRESSURE: 4210600 -209.922 -65.6079 -62.0625 -88.3547 -293.668 98.6661 -122.73 91.357 303.429 PRESSAVG: 4210600 -41.0017 -51.2879 -0.130745 -51.2879 -48.242 -27.7159 -0.130808 -27.7157 61.5311 GPRESSAVG: 4210600 -40.8016 -51.2385 5.0579 -50.2989 -47.0304 -26.4444 -1.31718 -28.9661 60.3983 TIMING: 4210600 CPU: 12656.5, 0.00298507/step Wall: 12656.5, 0.00298507/step, 0.654559 hours remaining, 208.656250 MB of memory in use. ENERGY: 4210600 761.6514 2020.5634 1948.9523 108.8328 -205775.8598 17643.8414 0.0000 0.0000 34071.6343 -149220.3841 297.5561 -183292.0184 -149123.8285 298.4859 -98.3598 -66.7203 557992.6251 -9.2375 -9.1446 PRESSURE: 4210800 119.317 -83.5614 32.2643 -83.5618 86.2325 -92.0754 32.264 -92.0734 181.335 GPRESSURE: 4210800 187.037 -74.9331 -12.996 -31.03 77.2421 -179.25 -8.728 44.7775 226.769 PRESSAVG: 4210800 53.3965 17.1233 -30.0914 17.1232 -70.6229 -5.07818 -30.0915 -5.07814 -20.9742 GPRESSAVG: 4210800 53.9992 15.9255 -33.6281 15.7385 -71.2834 -5.2885 -30.79 -4.01826 -20.39 TIMING: 4210800 CPU: 12657.1, 0.00296457/step Wall: 12657.1, 0.00296457/step, 0.649899 hours remaining, 208.656250 MB of memory in use. ENERGY: 4210800 729.9932 2045.5847 1933.6320 112.5743 -206416.1022 18014.6087 0.0000 0.0000 34420.8099 -149158.8994 300.6055 -183579.7093 -149060.4982 299.5128 128.9614 163.6828 555309.3587 -12.7335 -12.5581 PRESSURE: 4211000 28.8675 -118.975 -134.124 -118.976 -178.773 -12.6463 -134.123 -12.6468 -96.0183 GPRESSURE: 4211000 39.9784 -192.883 -94.3077 -34.2303 -155.52 26.522 -130.636 -59.3638 -39.0112 PRESSAVG: 4211000 -8.42644 1.93677 -2.12647 1.93676 -25.706 -36.6249 -2.12642 -36.6248 22.1746 GPRESSAVG: 4211000 -8.2394 1.61795 0.247331 2.8283 -26.1871 -37.4962 -3.40277 -37.2233 22.2333 TIMING: 4211000 CPU: 12657.7, 0.00295999/step Wall: 12657.7, 0.00295999/step, 0.648731 hours remaining, 208.656250 MB of memory in use. ENERGY: 4211000 744.3592 2051.5496 1890.7169 111.1347 -205831.4620 17460.6171 0.0000 0.0000 34225.1502 -149347.9343 298.8967 -183573.0846 -149248.9852 299.2371 -81.9746 -51.5176 557717.4297 -3.9860 -4.0644 PRESSURE: 4211200 -228.838 -41.4904 -30.2472 -41.49 -151.167 80.911 -30.2469 80.9116 31.5656 GPRESSURE: 4211200 -144.266 -27.3115 4.0938 -96.9289 -142.483 29.1755 -45.182 39.7543 39.6477 PRESSAVG: 4211200 -32.3545 -35.1206 28.8588 -35.1205 -31.7557 20.154 28.8588 20.154 49.1566 GPRESSAVG: 4211200 -32.5609 -36.3475 26.4192 -33.6762 -31.9849 19.6023 30.2372 21.5651 49.7533 TIMING: 4211200 CPU: 12658.3, 0.0029543/step Wall: 12658.3, 0.0029543/step, 0.64732 hours remaining, 208.656250 MB of memory in use. ENERGY: 4211200 748.2983 2078.0669 1958.7419 117.8583 -206364.4238 17815.1345 0.0000 0.0000 34356.2348 -149290.0892 300.0415 -183646.3240 -149188.1920 298.7141 -116.1463 -82.3673 558118.5288 -4.9845 -4.9308 PRESSURE: 4211400 123.184 156.568 -127.783 156.568 -152.851 24.6393 -127.784 24.638 166.701 GPRESSURE: 4211400 133.756 98.6367 -30.1087 219.214 -81.728 -27.5977 -202.706 57.8684 176.967 PRESSAVG: 4211400 52.4671 -32.4644 25.5529 -32.4644 -86.1502 32.1844 25.5529 32.1844 17.6512 GPRESSAVG: 4211400 51.0509 -30.2243 26.4537 -34.1555 -84.8083 31.8321 25.5708 30.0558 17.6277 TIMING: 4211400 CPU: 12658.9, 0.00295373/step Wall: 12658.9, 0.00295373/step, 0.64703 hours remaining, 208.859375 MB of memory in use. ENERGY: 4211400 739.7086 2101.1966 1981.8364 122.9691 -206635.4598 17994.4137 0.0000 0.0000 34267.6573 -149427.6781 299.2680 -183695.3354 -149331.2122 299.1705 45.6778 76.3316 557513.7867 -5.3440 -5.3766 PRESSURE: 4211600 -176.096 77.2702 34.0523 77.2696 -31.6798 99.6516 34.0519 99.6512 106.928 GPRESSURE: 4211600 -123.918 109.821 11.1216 39.8313 33.0422 99.5645 47.4186 30.0036 92.1298 PRESSAVG: 4211600 -5.97001 15.0069 -55.414 15.007 -13.5445 61.1457 -55.414 61.1458 9.76618 GPRESSAVG: 4211600 -5.09934 13.6926 -56.3242 14.6095 -15.231 61.7082 -54.7974 62.2831 10.2453 TIMING: 4211600 CPU: 12659.5, 0.00296439/step Wall: 12659.5, 0.00296439/step, 0.649201 hours remaining, 208.859375 MB of memory in use. ENERGY: 4211600 721.7713 2142.2154 1946.1306 119.2995 -206330.3424 17786.1934 0.0000 0.0000 34292.4630 -149322.2691 299.4846 -183614.7322 -149221.6534 299.0360 -33.6159 0.4180 558496.6840 -3.2494 -3.3617 PRESSURE: 4211800 356.736 -18.721 157.732 -18.721 343.522 -51.062 157.731 -51.0639 562.999 GPRESSURE: 4211800 384.192 71.8854 157.37 -44.9269 415.17 -49.3045 139.216 -54.8515 567.277 PRESSAVG: 4211800 -48.3658 37.4058 27.7042 37.4058 53.0552 -24.7742 27.7042 -24.7741 11.7346 GPRESSAVG: 4211800 -48.7415 38.9938 26.1975 37.3278 54.0697 -24.9012 28.1588 -24.7262 11.1872 TIMING: 4211800 CPU: 12660.1, 0.002987/step Wall: 12660.1, 0.002987/step, 0.653988 hours remaining, 208.859375 MB of memory in use. ENERGY: 4211800 755.3881 2096.2280 1960.5888 112.5136 -206953.4280 18484.9680 0.0000 0.0000 34353.8840 -149189.8576 300.0210 -183543.7416 -149096.8283 299.5087 421.0858 455.5464 557018.7852 5.4747 5.5051 PRESSURE: 4212000 106.993 47.8076 -83.3874 47.8067 -12.9542 71.9868 -83.3868 71.9869 -48.933 GPRESSURE: 4212000 121.72 99.1019 -101.373 140.892 46.3669 1.98924 -89.1438 74.5044 -34.834 PRESSAVG: 4212000 47.399 16.1516 22.7312 16.1515 29.2767 -14.8783 22.7311 -14.8783 -20.0685 GPRESSAVG: 4212000 47.3899 16.0602 24.0311 17.8441 29.3215 -14.627 21.7582 -14.3014 -19.9302 TIMING: 4212000 CPU: 12660.7, 0.00297786/step Wall: 12660.7, 0.00297786/step, 0.65182 hours remaining, 208.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4212000 721.5655 2077.9440 1962.5196 97.2138 -206517.6662 18015.6417 0.0000 0.0000 34411.2249 -149231.5568 300.5218 -183642.7817 -149131.6845 299.2096 15.0352 44.4177 557959.1864 18.8691 18.9271 PRESSURE: 4212200 -19.8398 -59.2998 21.0046 -59.3003 -2.89061 -61.9113 21.0045 -61.9114 -366.441 GPRESSURE: 4212200 -34.3904 -36.0668 0.533863 -99.5413 -1.94096 -56.1507 57.5424 -42.2403 -270.517 PRESSAVG: 4212200 -6.84414 44.9099 3.89269 44.91 -50.2893 24.7233 3.89271 24.7233 48.6107 GPRESSAVG: 4212200 -5.96699 45.0859 2.16212 43.554 -50.7921 22.1465 6.27791 24.9296 48.3962 TIMING: 4212200 CPU: 12661.3, 0.00298824/step Wall: 12661.3, 0.00298824/step, 0.653927 hours remaining, 208.859375 MB of memory in use. ENERGY: 4212200 759.6373 2071.2741 1962.8338 117.8913 -205687.6488 17654.7394 0.0000 0.0000 34010.8122 -149110.4607 297.0249 -183121.2729 -149018.9181 299.8703 -129.7239 -102.2828 559157.9717 -2.8409 -2.7876 LDB: ============= START OF LOAD BALANCING ============== 12664.8 LDB: ============== END OF LOAD BALANCING =============== 12664.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12664.8 LDB: ============= START OF LOAD BALANCING ============== 12665.1 LDB: Largest compute 4773 load 0.030646 is 25.9% of average load 0.118124 LDB: Average compute 0.001742 is 1.5% of average load 0.118124 LDB: TIME 12665.1 LOAD: AVG 0.118124 MAX 0.203578 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.934 MB LDB: TIME 12665.1 LOAD: AVG 0.118124 MAX 0.203578 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.176 MB LDB: TIME 12665.1 LOAD: AVG 0.118124 MAX 0.203578 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.176 MB LDB: ============== END OF LOAD BALANCING =============== 12665.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12665.1 PRESSURE: 4212400 -182.757 -36.2151 38.596 -36.2147 125.685 -27.4127 38.5961 -27.413 106.285 GPRESSURE: 4212400 -108.683 -158.11 44.2134 27.3142 96.2369 -25.7256 41.7823 46.5639 143.294 PRESSAVG: 4212400 -6.17684 -14.0952 -35.7032 -14.0952 13.8236 -6.35435 -35.7032 -6.35451 -13.4748 GPRESSAVG: 4212400 -5.52311 -14.9422 -34.0874 -14.0938 13.1766 -3.37059 -36.1666 -8.80072 -13.4955 TIMING: 4212400 CPU: 12661.9, 0.00304348/step Wall: 12661.9, 0.00304348/step, 0.665846 hours remaining, 208.746094 MB of memory in use. ENERGY: 4212400 776.9721 2047.9442 1955.9495 108.8235 -206263.0648 18069.6820 0.0000 0.0000 34238.9321 -149064.7615 299.0171 -183303.6936 -148959.7530 299.2800 16.4043 43.6158 558753.6062 -1.9427 -1.9474 PRESSURE: 4212600 2.64247 23.6674 189.862 23.6672 38.5097 -45.3779 189.863 -45.377 -38.2723 GPRESSURE: 4212600 -55.7345 -57.7153 143.197 0.406157 83.0111 3.64213 197.416 -38.1341 65.3379 PRESSAVG: 4212600 29.003 -17.1351 19.3973 -17.1351 -65.1699 42.8224 19.3973 42.8225 75.1972 GPRESSAVG: 4212600 27.7344 -16.9048 17.2661 -17.6325 -62.9406 46.0835 20.2288 42.2232 74.7344 TIMING: 4212600 CPU: 12662.5, 0.00296904/step Wall: 12662.5, 0.00296904/step, 0.649395 hours remaining, 208.746094 MB of memory in use. ENERGY: 4212600 745.7839 2102.9090 1984.6331 132.3288 -206224.8767 17951.1845 0.0000 0.0000 34148.8266 -149159.2107 298.2302 -183308.0373 -149059.1786 299.7158 0.9600 30.8715 558237.3056 13.0101 13.1761 PRESSURE: 4212800 -198.275 57.2176 137.415 57.2176 6.44545 113.682 137.417 113.683 -10.6724 GPRESSURE: 4212800 -128.204 22.3765 168.244 87.0574 21.4765 194.366 50.943 91.6484 -12.8799 PRESSAVG: 4212800 34.2679 -68.4148 21.7555 -68.4147 -29.2613 57.3621 21.7555 57.3622 -5.35954 GPRESSAVG: 4212800 34.4416 -69.186 24.3061 -66.0239 -30.624 53.9451 18.6007 59.8057 -3.65528 TIMING: 4212800 CPU: 12663.1, 0.00296128/step Wall: 12663.1, 0.00296128/step, 0.647533 hours remaining, 208.746094 MB of memory in use. ENERGY: 4212800 772.6405 2108.5419 1969.6713 102.8723 -206258.6728 17915.1611 0.0000 0.0000 34271.8213 -149117.9644 299.3043 -183389.7857 -149029.1110 299.8458 -67.5007 -39.8691 557754.7448 -0.1176 0.0541 PRESSURE: 4213000 23.7919 -40.6535 -3.39447 -40.655 -95.3696 -14.633 -3.39474 -14.6333 -10.6024 GPRESSURE: 4213000 115.272 -75.4542 71.4231 31.0848 -65.5989 -56.4042 -57.4268 -46.8007 -23.5703 PRESSAVG: 4213000 7.70174 -55.9955 7.0351 -55.9956 -39.4629 7.44527 7.03516 7.44523 20.3925 GPRESSAVG: 4213000 9.93014 -55.3878 5.18304 -56.5838 -40.6634 8.34705 9.78904 6.14393 19.6622 TIMING: 4213000 CPU: 12663.7, 0.00292255/step Wall: 12663.7, 0.00292255/step, 0.638903 hours remaining, 208.746094 MB of memory in use. ENERGY: 4213000 783.1238 2069.2370 1943.2574 103.4371 -206168.2620 17841.0821 0.0000 0.0000 34261.5581 -149166.5664 299.2147 -183428.1246 -149070.7641 299.5355 -27.3934 8.7010 557544.8409 -3.7895 -3.6904 PRESSURE: 4213200 -85.6543 -14.5578 206.082 -14.5578 232.532 22.3371 206.081 22.3384 62.7877 GPRESSURE: 4213200 -50.5782 78.0899 73.6439 -32.5741 231.683 24.06 189.007 -15.6283 112.361 PRESSAVG: 4213200 -43.6939 16.0685 22.3313 16.0684 2.47758 35.0668 22.3312 35.0669 -2.92106 GPRESSAVG: 4213200 -45.5863 14.0877 24.6098 16.9854 3.34151 34.8525 20.5771 34.842 -2.2103 TIMING: 4213200 CPU: 12664.3, 0.00295154/step Wall: 12664.3, 0.00295154/step, 0.645076 hours remaining, 208.746094 MB of memory in use. ENERGY: 4213200 755.9071 2097.7472 1931.8524 115.7949 -206010.0260 17745.4855 0.0000 0.0000 34246.9030 -149116.3359 299.0867 -183363.2389 -149024.1732 299.7065 69.8886 97.8220 557151.0246 -14.7124 -14.8184 PRESSURE: 4213400 -48.2729 251.934 98.203 251.933 57.445 -62.1268 98.2021 -62.1271 264.885 GPRESSURE: 4213400 3.80778 299.958 69.603 148.443 7.17525 -80.5971 125.241 -30.451 354.856 PRESSAVG: 4213400 4.56752 31.2248 15.9149 31.2247 3.63492 10.4585 15.9148 10.4585 -57.6324 GPRESSAVG: 4213400 6.31025 33.6875 15.2185 28.9441 2.49199 10.6527 15.572 10.4935 -57.7818 TIMING: 4213400 CPU: 12664.9, 0.00294407/step Wall: 12664.9, 0.00294407/step, 0.643279 hours remaining, 208.746094 MB of memory in use. ENERGY: 4213400 708.0781 2067.7727 1935.9178 113.3713 -206268.2544 17832.0471 0.0000 0.0000 34413.6040 -149197.4634 300.5426 -183611.0674 -149101.8188 299.3504 91.3523 121.9463 556526.0192 -16.4767 -16.3265 PRESSURE: 4213600 -265.792 56.769 41.8522 56.7689 32.8691 5.90481 41.8528 5.90596 -55.0084 GPRESSURE: 4213600 -227.27 2.47133 26.2 85.848 65.2268 44.113 37.1953 -72.8537 -38.6018 PRESSAVG: 4213600 13.0856 24.9702 -5.47754 24.9702 11.1267 -0.737858 -5.47755 -0.737858 -4.4279 GPRESSAVG: 4213600 12.0433 23.0552 -5.49253 25.2902 13.9907 -1.12088 -5.76862 -0.126305 -6.39729 TIMING: 4213600 CPU: 12665.4, 0.00294829/step Wall: 12665.4, 0.00294829/step, 0.644038 hours remaining, 208.746094 MB of memory in use. ENERGY: 4213600 736.8163 2140.8794 1949.5726 108.1278 -206063.0907 17696.5936 0.0000 0.0000 34526.5738 -148904.5272 301.5292 -183431.1010 -148807.0889 300.2213 -95.9772 -66.8816 558980.9518 6.5948 6.5456 PRESSURE: 4213800 -102.032 -26.8223 3.21628 -26.8226 253.526 247.134 3.21813 247.133 78.3771 GPRESSURE: 4213800 -46.4518 -53.5168 -67.585 16.8368 273.94 234.423 75.7467 165.984 107.308 PRESSAVG: 4213800 -5.30237 55.2952 -3.88931 55.2952 36.5968 2.56297 -3.88932 2.56303 -29.5662 GPRESSAVG: 4213800 -6.35112 56.1937 -2.26848 54.9113 35.3949 2.76218 -3.0613 1.05361 -27.5356 TIMING: 4213800 CPU: 12666, 0.00297622/step Wall: 12666, 0.00297622/step, 0.649973 hours remaining, 208.816406 MB of memory in use. ENERGY: 4213800 729.3527 2178.5311 1942.1126 115.9631 -206168.5144 17947.5686 0.0000 0.0000 34390.5099 -148864.4762 300.3409 -183254.9861 -148765.2747 300.4594 76.6237 111.5990 558854.5380 0.5761 0.5027 PRESSURE: 4214000 155.251 -125.158 95.8174 -125.159 4.44422 63.1327 95.8184 63.1329 -97.6839 GPRESSURE: 4214000 207.354 -103.975 82.4116 -98.3027 34.1196 108.209 25.82 92.1861 -86.154 PRESSAVG: 4214000 -23.5627 4.46351 11.1336 4.46335 17.9272 22.3741 11.1335 22.3741 -33.932 GPRESSAVG: 4214000 -24.3501 4.99037 10.5271 3.07404 20.082 20.8958 11.793 23.5072 -35.1759 TIMING: 4214000 CPU: 12666.6, 0.00296356/step Wall: 12666.6, 0.00296356/step, 0.647043 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: 4214000 757.1192 2108.3370 1949.3872 106.9270 -206264.5341 17997.5807 0.0000 0.0000 34272.6710 -149072.5120 299.3118 -183345.1830 -148974.0053 300.4477 20.6703 51.7731 558697.5814 -13.1891 -13.1480 PRESSURE: 4214200 -186.629 54.1295 74.8953 54.1297 7.3024 -118.481 74.8955 -118.481 -81.7349 GPRESSURE: 4214200 -202.051 69.5692 96.6684 -0.0383168 -1.22358 -134.125 56.7997 -17.7387 44.0205 PRESSAVG: 4214200 -55.9476 18.1319 50.7801 18.1319 22.8035 14.598 50.78 14.598 -8.68698 GPRESSAVG: 4214200 -55.2274 18.4432 48.7259 18.5893 21.5556 14.9061 50.5804 16.1461 -8.04813 TIMING: 4214200 CPU: 12667.2, 0.00297176/step Wall: 12667.2, 0.00297176/step, 0.64867 hours remaining, 208.816406 MB of memory in use. ENERGY: 4214200 758.1153 2126.7594 1954.1599 118.5690 -205848.4819 17639.7631 0.0000 0.0000 34355.0739 -148896.0412 300.0314 -183251.1152 -148799.3370 299.8415 -87.0205 -53.0849 557913.4041 -13.9437 -13.9066 PRESSURE: 4214400 -288.059 -75.761 118.692 -75.76 116.706 -30.5428 118.693 -30.5421 -96.5293 GPRESSURE: 4214400 -258.877 -153.975 234.772 -57.5323 128.053 29.6225 33.1126 -34.4105 -34.9117 PRESSAVG: 4214400 -46.3795 15.9232 45.8866 15.9233 -13.0709 -17.4616 45.8866 -17.4616 24.7767 GPRESSAVG: 4214400 -46.8761 14.6259 50.2879 18.7707 -12.8793 -16.8194 42.604 -19.5265 25.0003 TIMING: 4214400 CPU: 12667.8, 0.0029659/step Wall: 12667.8, 0.0029659/step, 0.647225 hours remaining, 208.816406 MB of memory in use. ENERGY: 4214400 778.1475 2148.2383 1938.5294 129.7991 -206277.5489 17817.0482 0.0000 0.0000 34343.8725 -149121.9140 299.9336 -183465.7864 -149022.4703 300.7598 -89.2942 -55.2451 558536.0437 -11.5579 -11.5850 PRESSURE: 4214600 -314.816 -10.9487 99.8331 -10.9485 -154.162 -135.505 99.8326 -135.505 -462.847 GPRESSURE: 4214600 -319.614 -27.3254 167.372 -78.2131 -88.878 -178.557 102.377 -167.311 -415.647 PRESSAVG: 4214600 -59.3795 15.7037 20.5108 15.7038 57.7585 3.4771 20.5108 3.47722 19.812 GPRESSAVG: 4214600 -59.9843 17.6086 18.9651 13.8942 57.5586 3.00631 23.4262 2.01426 20.4575 TIMING: 4214600 CPU: 12668.4, 0.00295164/step Wall: 12668.4, 0.00295164/step, 0.64395 hours remaining, 208.816406 MB of memory in use. ENERGY: 4214600 759.6087 2118.2691 1953.8421 126.7766 -205989.7548 17572.5896 0.0000 0.0000 34362.1048 -149096.5639 300.0928 -183458.6687 -149001.5392 299.8108 -310.6081 -274.7131 559806.8664 6.0637 6.0106 PRESSURE: 4214800 -9.24119 174.721 -46.8931 174.723 -10.7362 -91.49 -46.8921 -91.4883 -15.8328 GPRESSURE: 4214800 -2.63917 176.203 -43.712 140.707 39.0981 -60.3899 -3.49968 -76.3515 12.9994 PRESSAVG: 4214800 -6.70874 38.2972 9.34652 38.2971 74.1599 -25.0681 9.34654 -25.0682 -30.2206 GPRESSAVG: 4214800 -5.83411 35.5158 7.43211 38.4795 74.6139 -24.7435 11.6425 -20.3491 -31.7313 TIMING: 4214800 CPU: 12669, 0.00295825/step Wall: 12669, 0.00295825/step, 0.645227 hours remaining, 208.816406 MB of memory in use. ENERGY: 4214800 725.1283 2121.9333 1916.7664 109.8934 -205789.4372 17639.9293 0.0000 0.0000 34109.8261 -149165.9603 297.8896 -183275.7864 -149082.4081 299.3722 -11.9368 16.4861 558625.6849 12.4102 12.3495 PRESSURE: 4215000 -231.887 -133.884 -52.3039 -133.885 -7.6851 292.322 -52.3049 292.321 -127.958 GPRESSURE: 4215000 -206.404 -107.027 19.3907 -49.8261 30.1145 353.29 -37.3525 301.247 -103.048 PRESSAVG: 4215000 32.8872 25.1808 11.2288 25.1809 -17.5036 4.79926 11.2288 4.7992 -31.5023 GPRESSAVG: 4215000 32.9207 25.659 13.5564 26.7298 -18.1115 6.14892 9.31747 1.73252 -30.2974 TIMING: 4215000 CPU: 12669.6, 0.00296394/step Wall: 12669.6, 0.00296394/step, 0.646304 hours remaining, 208.816406 MB of memory in use. ENERGY: 4215000 730.0949 2085.5482 1933.7805 103.2965 -206153.7387 17655.5198 0.0000 0.0000 34424.0172 -149221.4816 300.6335 -183645.4989 -149123.6285 299.3311 -122.5098 -93.1124 558995.6850 -5.3729 -5.1628 PRESSURE: 4215200 -91.4436 -69.4333 -109.565 -69.4341 -7.30888 21.653 -109.564 21.6518 -49.2991 GPRESSURE: 4215200 -63.5881 -68.1942 3.57333 -67.6728 -5.03285 32.1865 -144.222 68.9569 10.5167 PRESSAVG: 4215200 54.362 -3.21531 67.6798 -3.2154 1.57768 80.3808 67.6799 80.3807 -103.152 GPRESSAVG: 4215200 53.4026 -1.84732 66.6302 -5.77422 2.68678 77.8217 65.9617 82.7807 -103.286 TIMING: 4215200 CPU: 12670.2, 0.00296183/step Wall: 12670.2, 0.00296183/step, 0.645679 hours remaining, 208.816406 MB of memory in use. ENERGY: 4215200 752.9765 2064.6737 1927.3881 118.6700 -206098.3533 17679.9853 0.0000 0.0000 34341.7331 -149212.9266 299.9149 -183554.6597 -149110.1967 299.6339 -49.3505 -19.3681 557110.6940 -15.7376 -15.7324 PRESSURE: 4215400 -117.347 -18.8385 -38.9571 -18.8383 -301.246 -84.0161 -38.9557 -84.0171 -167.664 GPRESSURE: 4215400 -86.3135 -30.8176 40.4509 7.75292 -275.058 -95.0946 -116.602 -40.5059 -150.364 PRESSAVG: 4215400 18.706 -0.591497 -1.98721 -0.591438 4.28669 -11.0835 -1.98726 -11.0834 -0.395829 GPRESSAVG: 4215400 20.2804 -2.89787 -2.28426 0.924128 3.68577 -9.09498 -0.895833 -12.6505 -1.2942 TIMING: 4215400 CPU: 12670.8, 0.00295376/step Wall: 12670.8, 0.00295376/step, 0.643756 hours remaining, 208.816406 MB of memory in use. ENERGY: 4215400 759.4395 2130.6383 1956.1102 114.8513 -206110.2719 17531.9425 0.0000 0.0000 34354.8265 -149262.4637 300.0292 -183617.2902 -149165.9501 299.3093 -195.4189 -170.5786 558387.9360 7.5323 7.5573 PRESSURE: 4215600 -457.593 -105.705 33.6396 -105.705 -304.584 -250.354 33.6401 -250.353 39.1383 GPRESSURE: 4215600 -455.059 -84.6267 35.3326 -122.361 -221.041 -254.759 36.1881 -206.728 49.9582 PRESSAVG: 4215600 -41.5056 -29.4328 75.4603 -29.4329 8.62373 77.2114 75.4602 77.2114 -6.21633 GPRESSAVG: 4215600 -42.7601 -27.6227 74.6194 -31.1538 9.0666 75.8008 75.6733 77.7158 -4.65101 TIMING: 4215600 CPU: 12671.4, 0.002976/step Wall: 12671.4, 0.002976/step, 0.648437 hours remaining, 208.816406 MB of memory in use. ENERGY: 4215600 776.3619 2061.1476 1960.5142 116.1834 -205714.9272 17304.9452 0.0000 0.0000 34199.4577 -149296.3173 298.6724 -183495.7750 -149202.5792 299.2281 -241.0130 -208.7139 555958.1699 -13.0327 -12.7815 PRESSURE: 4215800 -312.113 -163.53 51.9779 -163.53 141.906 28.1761 51.9783 28.1766 -97.9768 GPRESSURE: 4215800 -243.28 -185.548 13.1346 -151.333 125.839 43.329 103.039 31.3737 -57.7353 PRESSAVG: 4215800 -18.2636 -2.04133 18.1345 -2.04143 14.9177 11.3975 18.1346 11.3975 23.3703 GPRESSAVG: 4215800 -16.3652 -1.2107 18.2275 -1.98279 13.4807 12.8457 19.8511 10.3719 22.6227 TIMING: 4215800 CPU: 12672, 0.00297164/step Wall: 12672, 0.00297164/step, 0.647322 hours remaining, 208.816406 MB of memory in use. ENERGY: 4215800 749.8211 2127.3352 1966.0015 99.1291 -205976.8493 17690.3894 0.0000 0.0000 33986.4667 -149357.7062 296.8123 -183344.1729 -149262.0236 299.1609 -89.3945 -58.3920 556512.9600 6.6748 6.5794 PRESSURE: 4216000 -243.131 100.92 153.757 100.921 -92.1366 25.4215 153.756 25.4211 -9.36282 GPRESSURE: 4216000 -213.81 77.6134 167.12 96.7932 -52.0556 55.1176 160.326 50.9011 10.497 PRESSAVG: 4216000 -21.9831 6.44768 -52.4679 6.44782 -54.4743 23.4055 -52.4678 23.4055 92.9296 GPRESSAVG: 4216000 -22.304 7.043 -51.7424 6.428 -53.9511 21.8536 -53.9287 24.1939 92.4058 TIMING: 4216000 CPU: 12672.6, 0.00296117/step Wall: 12672.6, 0.00296117/step, 0.644878 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: 4216000 734.9997 2046.7479 1933.0848 112.5230 -205715.5505 17321.7343 0.0000 0.0000 34212.8346 -149353.6263 298.7892 -183566.4609 -149256.5238 297.9234 -114.8769 -85.1228 555579.1169 5.4907 5.3836 PRESSURE: 4216200 7.72468 63.3889 -12.5664 63.3896 50.0422 41.5192 -12.5657 41.5206 13.5743 GPRESSURE: 4216200 51.4769 107.854 46.3657 36.8846 88.6694 24.562 -78.3917 20.1619 34.4316 PRESSAVG: 4216200 -33.5596 -32.2263 0.547168 -32.2263 53.4667 47.3432 0.54721 47.3431 0.925095 GPRESSAVG: 4216200 -34.0253 -33.4968 -0.737052 -31.9724 53.5946 48.3785 -1.21622 45.4592 1.30113 TIMING: 4216200 CPU: 12673.2, 0.00297268/step Wall: 12673.2, 0.00297268/step, 0.647218 hours remaining, 208.960938 MB of memory in use. ENERGY: 4216200 728.8898 2154.4520 1947.2873 115.1297 -206195.3616 17674.8732 0.0000 0.0000 34499.7855 -149074.9441 301.2952 -183574.7296 -148975.4604 299.3937 23.7804 58.1926 554449.0751 6.9441 6.9568 LDB: ============= START OF LOAD BALANCING ============== 12676.7 LDB: ============== END OF LOAD BALANCING =============== 12676.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12676.7 LDB: ============= START OF LOAD BALANCING ============== 12677 LDB: Largest compute 4773 load 0.029433 is 24.9% of average load 0.118197 LDB: Average compute 0.001736 is 1.5% of average load 0.118197 LDB: TIME 12677 LOAD: AVG 0.118197 MAX 0.205306 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.254 MB LDB: TIME 12677 LOAD: AVG 0.118197 MAX 0.205307 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.488 MB LDB: TIME 12677 LOAD: AVG 0.118197 MAX 0.205307 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.488 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12677 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12677 PRESSURE: 4216400 100.502 58.2408 79.5245 58.2413 -143.325 -95.6805 79.5253 -95.6818 -77.6147 GPRESSURE: 4216400 170.373 -49.5204 -52.3519 135.586 -125.16 -62.1391 116.728 -24.4623 -88.9779 PRESSAVG: 4216400 -22.1516 6.76868 -1.52764 6.76872 -21.5822 20.3553 -1.52764 20.3554 34.8993 GPRESSAVG: 4216400 -21.6011 6.28186 -0.805886 8.12077 -22.1751 20.4116 -0.886245 21.6019 35.9144 TIMING: 4216400 CPU: 12673.8, 0.00302381/step Wall: 12673.8, 0.00302381/step, 0.658182 hours remaining, 210.097656 MB of memory in use. ENERGY: 4216400 718.1157 2094.7980 1941.1198 106.8246 -205848.0482 17494.8878 0.0000 0.0000 34352.7642 -149139.5381 300.0112 -183492.3022 -149041.3766 300.1876 -40.1457 -14.5882 554962.8115 -2.9448 -2.6206 PRESSURE: 4216600 -378.567 -13.6079 14.5725 -13.6076 49.6111 107.076 14.5733 107.074 -205.599 GPRESSURE: 4216600 -259.546 -100.4 37.0824 -28.2336 47.295 120.342 -0.320076 135.533 -215.705 PRESSAVG: 4216600 7.8615 -58.8579 -2.18865 -58.8578 4.24284 9.13993 -2.18859 9.14006 12.9096 GPRESSAVG: 4216600 7.65239 -58.8497 -3.15112 -58.9557 5.88628 6.84665 -1.90342 8.80292 11.2327 TIMING: 4216600 CPU: 12674.3, 0.00296379/step Wall: 12674.3, 0.00296379/step, 0.644955 hours remaining, 210.300781 MB of memory in use. ENERGY: 4216600 749.7588 2060.0837 1946.9706 115.8325 -206201.4913 17677.6767 0.0000 0.0000 34423.0478 -149228.1213 300.6250 -183651.1690 -149126.9575 299.1619 -178.1851 -142.6520 557082.3725 8.3380 8.2571 PRESSURE: 4216800 -9.32668 -125.716 8.60226 -125.716 -25.9356 -24.6835 8.60064 -24.6838 186.616 GPRESSURE: 4216800 79.6884 -90.6149 74.6292 -49.6541 15.8447 -20.0053 3.15332 -6.61851 162.448 PRESSAVG: 4216800 -41.1036 -52.2985 -2.59254 -52.2986 30.8462 -34.4674 -2.5926 -34.4676 7.27074 GPRESSAVG: 4216800 -40.6392 -52.6962 -1.50544 -51.7976 29.2194 -33.1859 -3.0191 -34.6441 8.20779 TIMING: 4216800 CPU: 12674.9, 0.00296391/step Wall: 12674.9, 0.00296391/step, 0.644815 hours remaining, 210.300781 MB of memory in use. ENERGY: 4216800 770.4250 2164.0997 1937.4057 117.2036 -206262.1994 17687.2800 0.0000 0.0000 34313.4154 -149272.3700 299.6676 -183585.7854 -149178.7307 299.2926 50.4514 85.9937 556352.2120 -0.9956 -1.0707 PRESSURE: 4217000 75.5878 -52.1412 97.5229 -52.1409 -215.693 117.77 97.5234 117.769 12.4068 GPRESSURE: 4217000 100.831 -66.9588 123.675 -55.1789 -140.551 118.1 92.847 126.283 4.18321 PRESSAVG: 4217000 12.3055 9.23313 30.6129 9.23305 -37.7706 33.9414 30.613 33.9413 51.6565 GPRESSAVG: 4217000 12.0548 10.2669 32.3356 8.7917 -37.6553 34.3671 31.0943 34.4133 51.7545 TIMING: 4217000 CPU: 12675.5, 0.00297893/step Wall: 12675.5, 0.00297893/step, 0.647917 hours remaining, 210.300781 MB of memory in use. ENERGY: 4217000 769.3793 2082.9549 1924.4534 131.7349 -206194.6740 17731.4600 0.0000 0.0000 34220.6229 -149334.0687 298.8572 -183554.6916 -149230.7526 299.3938 -42.5662 -11.8454 557469.0112 8.7305 8.7180 PRESSURE: 4217200 -183.593 -76.7239 -107.491 -76.7237 -1.77611 222.808 -107.49 222.807 -108.168 GPRESSURE: 4217200 -188.855 -78.7604 -92.5141 -18.869 -4.40463 301.405 -145.488 169.265 -4.85064 PRESSAVG: 4217200 -31.3205 -15.0713 2.48669 -15.0713 -39.2752 29.7669 2.48664 29.7669 78.1611 GPRESSAVG: 4217200 -31.9739 -15.4729 2.67353 -17.5644 -37.3637 28.3783 2.11609 30.2574 76.7189 TIMING: 4217200 CPU: 12676.1, 0.0029549/step Wall: 12676.1, 0.0029549/step, 0.642527 hours remaining, 210.300781 MB of memory in use. ENERGY: 4217200 705.1635 2153.5409 1956.1884 127.8429 -205905.4478 17562.4130 0.0000 0.0000 34083.9112 -149316.3878 297.6633 -183400.2990 -149221.5918 298.5316 -97.8457 -66.0366 556028.7236 2.5218 2.4604 PRESSURE: 4217400 57.8558 -163.338 -52.5789 -163.337 -49.8982 -134.631 -52.5788 -134.63 55.9515 GPRESSURE: 4217400 90.4716 -171.144 -59.3706 -122.939 -50.2746 -66.8965 -89.1265 -172.053 111.004 PRESSAVG: 4217400 -17.7638 -83.6218 -41.7391 -83.6217 -10.0214 36.0315 -41.7392 36.0315 65.9 GPRESSAVG: 4217400 -16.3324 -83.7 -42.8715 -81.2847 -11.2781 36.2391 -40.0943 35.0488 66.287 TIMING: 4217400 CPU: 12676.7, 0.00295411/step Wall: 12676.7, 0.00295411/step, 0.642191 hours remaining, 210.300781 MB of memory in use. ENERGY: 4217400 746.1524 2045.4429 1942.8401 124.7134 -206027.0641 17679.6577 0.0000 0.0000 34349.5020 -149138.7556 299.9827 -183488.2576 -149042.1483 298.8134 21.3030 50.4004 557423.0293 12.7049 12.8922 PRESSURE: 4217600 -71.2759 -93.2863 25.7939 -93.2875 63.2968 -39.7191 25.7938 -39.7188 46.1496 GPRESSURE: 4217600 -71.3919 -118.118 35.062 -99.6879 131.755 -14.4129 67.8606 -65.6432 66.2938 PRESSAVG: 4217600 -57.3284 -28.3035 -28.439 -28.3036 -47.9873 38.2231 -28.4391 38.2231 83.5001 GPRESSAVG: 4217600 -58.2375 -30.4816 -28.4087 -28.0663 -47.3576 39.4079 -30.2835 37.3129 83.6325 TIMING: 4217600 CPU: 12677.3, 0.00296843/step Wall: 12677.3, 0.00296843/step, 0.645139 hours remaining, 210.300781 MB of memory in use. ENERGY: 4217600 696.9209 2201.3395 1930.5578 119.3829 -205959.9351 17643.6930 0.0000 0.0000 34224.9896 -149143.0515 298.8953 -183368.0412 -149051.9316 299.4273 12.7235 42.2190 557903.9415 -7.2719 -7.3209 PRESSURE: 4217800 116.075 -85.3874 -144.825 -85.3881 92.4281 -6.34593 -144.824 -6.34654 162.111 GPRESSURE: 4217800 111.8 -90.2821 -161.132 -76.2558 109.55 66.2299 -52.9305 -0.0345271 238.957 PRESSAVG: 4217800 -39.1829 -41.5409 46.7631 -41.541 -2.16503 43.9893 46.7631 43.9895 60.5226 GPRESSAVG: 4217800 -39.306 -40.112 48.6301 -41.8818 -2.28712 42.7837 48.4396 47.051 61.1368 TIMING: 4217800 CPU: 12677.9, 0.00299715/step Wall: 12677.9, 0.00299715/step, 0.651214 hours remaining, 210.300781 MB of memory in use. ENERGY: 4217800 751.3070 2060.5780 1962.5078 119.5723 -206526.6276 18054.5913 0.0000 0.0000 34462.0254 -149116.0460 300.9654 -183578.0714 -149023.7927 299.3670 123.5382 153.4355 557031.2945 6.3916 6.5146 PRESSURE: 4218000 100.418 25.857 159.52 25.8564 -196.602 102.723 159.519 102.722 -118.654 GPRESSURE: 4218000 149.932 -28.2656 183.656 121.054 -199.029 145.811 149.945 63.3217 -65.6302 PRESSAVG: 4218000 -53.8411 16.3476 -1.73116 16.3476 20.0818 25.8074 -1.73114 25.8074 17.1646 GPRESSAVG: 4218000 -54.1991 17.1163 -1.15488 16.7308 20.8163 24.1448 -3.78734 23.4911 16.7368 TIMING: 4218000 CPU: 12678.5, 0.00300084/step Wall: 12678.5, 0.00300084/step, 0.65185 hours remaining, 210.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4218000 754.2918 2118.1246 1938.2543 113.2060 -205994.4365 17665.6924 0.0000 0.0000 34330.1511 -149074.7162 299.8137 -183404.8673 -148978.8635 300.2068 -71.6125 -38.2424 557893.7820 -5.5316 -5.5486 PRESSURE: 4218200 -189.179 -220.39 -32.5263 -220.39 -241.484 171.191 -32.5251 171.192 -40.3097 GPRESSURE: 4218200 -198.571 -227.46 -23.4743 -192.266 -217.671 135.276 6.40399 273.935 36.009 PRESSAVG: 4218200 51.4074 20.4563 4.72479 20.4563 2.87681 3.10558 4.72481 3.10542 -16.076 GPRESSAVG: 4218200 52.9927 19.3234 2.99167 19.9556 1.11792 6.17372 5.05871 2.54018 -15.8863 TIMING: 4218200 CPU: 12679.1, 0.0029925/step Wall: 12679.1, 0.0029925/step, 0.649871 hours remaining, 210.300781 MB of memory in use. ENERGY: 4218200 732.9076 2107.3831 1982.1043 105.7937 -205855.1954 17662.8725 0.0000 0.0000 34233.3055 -149030.8287 298.9680 -183264.1341 -148936.1253 300.0206 -156.9906 -126.7446 557535.8253 12.7361 12.7414 PRESSURE: 4218400 -66.9892 64.9269 -41.0063 64.9254 -15.9406 -46.5099 -41.0059 -46.5084 -252.482 GPRESSURE: 4218400 -24.7171 -10.6821 37.6165 45.3683 20.7646 -21.3858 -54.8154 -117.525 -241.087 PRESSAVG: 4218400 -10.4666 35.8616 -47.0939 35.8617 15.2281 54.5925 -47.094 54.5925 -19.0388 GPRESSAVG: 4218400 -11.0799 37.1554 -46.8761 34.6365 15.3884 52.3074 -47.4113 55.4663 -18.5685 TIMING: 4218400 CPU: 12679.7, 0.00298056/step Wall: 12679.7, 0.00298056/step, 0.647112 hours remaining, 210.300781 MB of memory in use. ENERGY: 4218400 746.9747 2118.8615 1928.4280 114.4293 -205648.8871 17435.0691 0.0000 0.0000 34227.2603 -149077.8643 298.9152 -183305.1247 -148975.6833 299.5663 -111.8041 -81.6798 558062.3788 -4.7591 -4.7533 PRESSURE: 4218600 -81.2015 -216.345 -279.036 -216.346 -205.867 21.2792 -279.036 21.279 -233.7 GPRESSURE: 4218600 -52.9383 -141.113 -261.508 -204.926 -200.977 58.9016 -326.9 -13.9376 -174.682 PRESSAVG: 4218600 2.78296 20.2463 -12.7569 20.2463 22.937 -16.7416 -12.7568 -16.7417 -27.4846 GPRESSAVG: 4218600 3.46353 20.4616 -12.6914 21.7266 23.7891 -16.7408 -11.8947 -17.3628 -29.257 TIMING: 4218600 CPU: 12680.3, 0.00298175/step Wall: 12680.3, 0.00298175/step, 0.647205 hours remaining, 210.300781 MB of memory in use. ENERGY: 4218600 725.7605 2129.9751 1955.0961 134.5411 -205831.4741 17467.6015 0.0000 0.0000 34281.8413 -149136.6586 299.3918 -183418.4999 -149044.7102 299.4348 -173.5897 -142.8657 558499.8555 -0.5882 -0.6681 PRESSURE: 4218800 -378.726 -121.214 180.083 -121.214 -55.5438 15.8354 180.081 15.8358 -131.018 GPRESSURE: 4218800 -302.877 -124.226 74.7999 -145.591 -35.4258 20.7115 267.022 26.6339 -135.565 PRESSAVG: 4218800 -43.2854 -19.2311 -6.9542 -19.2311 78.5674 3.98467 -6.95427 3.98466 -66.8908 GPRESSAVG: 4218800 -44.3513 -20.3056 -7.76396 -21.5596 78.04 5.73947 -6.27666 4.48691 -65.188 TIMING: 4218800 CPU: 12680.9, 0.002989/step Wall: 12680.9, 0.002989/step, 0.648614 hours remaining, 210.300781 MB of memory in use. ENERGY: 4218800 733.2321 2071.1794 1930.4258 116.7144 -206038.4996 17606.9786 0.0000 0.0000 34214.4473 -149365.5220 298.8033 -183579.9693 -149268.6730 298.9655 -188.4294 -157.9560 558147.8375 -10.5362 -10.4998 PRESSURE: 4219000 99.3826 -78.3068 -122.129 -78.3071 -83.2883 -89.928 -122.13 -89.9291 -226.869 GPRESSURE: 4219000 120.675 -86.6811 -147.654 28.7129 -22.6166 -65.2724 -17.4919 -120.304 -224.727 PRESSAVG: 4219000 -13.3132 4.50744 0.720195 4.5075 16.6849 30.7577 0.720235 30.7577 -17.0223 GPRESSAVG: 4219000 -12.9114 4.61237 2.59252 4.41936 15.9034 30.6004 -1.42347 29.9657 -17.4806 TIMING: 4219000 CPU: 12681.5, 0.00297961/step Wall: 12681.5, 0.00297961/step, 0.646409 hours remaining, 210.300781 MB of memory in use. ENERGY: 4219000 738.0511 2131.2053 1919.5767 107.5861 -206158.0637 17594.3377 0.0000 0.0000 34368.4124 -149298.8944 300.1479 -183667.3068 -149206.0551 298.9107 -70.2584 -42.2230 557016.7934 -4.5502 -4.8295 PRESSURE: 4219200 -0.665622 -176.573 -90.0507 -176.572 124.237 -62.3326 -90.0502 -62.3332 74.8686 GPRESSURE: 4219200 29.6369 -159.487 1.69643 -254.161 119.901 -62.7709 -133.674 -54.0149 138.602 PRESSAVG: 4219200 -3.00169 -28.5723 -39.7517 -28.5723 16.63 19.2956 -39.7517 19.2956 36.2056 GPRESSAVG: 4219200 -4.21723 -29.7038 -41.3439 -26.3292 18.6189 18.6501 -37.7993 19.2363 35.9056 TIMING: 4219200 CPU: 12682.1, 0.00295461/step Wall: 12682.1, 0.00295461/step, 0.640822 hours remaining, 210.300781 MB of memory in use. ENERGY: 4219200 712.6748 2163.8618 1958.7865 117.6190 -206075.4555 17705.0047 0.0000 0.0000 34005.0546 -149412.4541 296.9746 -183417.5087 -149313.4334 298.1908 66.1466 96.0465 556936.0293 16.6113 16.7691 PRESSURE: 4219400 -47.1983 97.9084 -45.9059 97.9063 -146.942 124.711 -45.9055 124.713 88.9181 GPRESSURE: 4219400 -54.2122 152.991 -21.5465 140.416 -81.8243 162.436 -35.0525 148.017 133.756 PRESSAVG: 4219400 -36.9893 -36.3549 -46.6659 -36.355 30.2283 -0.214217 -46.6658 -0.214037 6.46262 GPRESSAVG: 4219400 -36.7757 -35.9079 -46.2496 -36.4403 30.0168 -1.0985 -47.1635 1.33591 5.90378 TIMING: 4219400 CPU: 12682.7, 0.00295815/step Wall: 12682.7, 0.00295815/step, 0.641426 hours remaining, 210.300781 MB of memory in use. ENERGY: 4219400 748.6691 2124.1612 1934.6522 112.7761 -206388.1783 17767.0090 0.0000 0.0000 34107.1990 -149593.7117 297.8667 -183700.9107 -149501.7411 299.1208 -35.0742 -0.7601 556706.0589 -0.0995 -0.2851 PRESSURE: 4219600 -46.9526 96.1267 7.71423 96.1263 67.0801 -209.385 7.71442 -209.384 57.5919 GPRESSURE: 4219600 24.588 107.202 -29.0399 63.5787 94.1469 -128.81 -35.5465 -240.595 63.7832 PRESSAVG: 4219600 28.3433 29.2973 -10.911 29.2972 -4.22225 -5.69022 -10.9111 -5.69032 18.5994 GPRESSAVG: 4219600 28.3096 29.3576 -10.3212 27.1692 -4.24361 -7.03786 -11.6145 -5.26544 18.6739 TIMING: 4219600 CPU: 12683.3, 0.0029597/step Wall: 12683.3, 0.0029597/step, 0.641596 hours remaining, 210.300781 MB of memory in use. ENERGY: 4219600 772.1490 2057.9130 1972.9612 116.7726 -206804.3980 18051.7219 0.0000 0.0000 34245.1394 -149587.7409 299.0713 -183832.8802 -149487.8437 298.5781 25.9064 60.8394 555153.0881 14.2402 14.2466 PRESSURE: 4219800 -170.019 -18.7692 48.7001 -18.7687 20.7681 138.888 48.7009 138.888 -204.287 GPRESSURE: 4219800 -96.7767 -50.636 37.5769 -14.0312 -2.45507 126.591 55.282 115.93 -160.271 PRESSAVG: 4219800 -9.26812 -8.39746 -14.883 -8.39749 34.6341 -25.4443 -14.883 -25.4442 -30.104 GPRESSAVG: 4219800 -8.7154 -6.90217 -14.7332 -7.04961 33.964 -24.2232 -14.789 -27.3235 -29.6473 TIMING: 4219800 CPU: 12683.9, 0.00295189/step Wall: 12683.9, 0.00295189/step, 0.639739 hours remaining, 210.300781 MB of memory in use. ENERGY: 4219800 758.0611 2069.7680 1921.7110 117.1841 -206434.0232 17792.9173 0.0000 0.0000 34040.1032 -149734.2785 297.2807 -183774.3817 -149631.6316 297.6653 -117.8461 -86.5009 557522.1919 -1.5793 -1.4662 PRESSURE: 4220000 54.7162 45.658 40.1417 45.6569 168.278 -0.506456 40.1416 -0.5034 47.8943 GPRESSURE: 4220000 37.1106 70.3138 -36.5374 46.5879 173.384 87.4528 80.9608 18.36 152.447 PRESSAVG: 4220000 -58.5128 7.5722 -37.5835 7.57222 83.1582 -1.1578 -37.5836 -1.15781 23.0422 GPRESSAVG: 4220000 -58.3291 3.95837 -35.9305 7.93066 82.7832 -2.34442 -38.4838 1.22284 23.0918 TIMING: 4220000 CPU: 12684.5, 0.00296751/step Wall: 12684.5, 0.00296751/step, 0.64296 hours remaining, 210.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4220000 733.4895 2086.8425 1928.5961 107.3496 -206639.6257 18016.8814 0.0000 0.0000 34057.5809 -149708.8858 297.4333 -183766.4667 -149613.3167 297.6662 90.2961 120.9806 557291.2020 15.8958 15.8487 PRESSURE: 4220200 -38.2719 -152.622 57.9187 -152.621 283.075 78.6464 57.9184 78.6474 -88.6972 GPRESSURE: 4220200 20.662 -165.798 72.5316 -144.689 306.272 115.708 131.751 -22.5672 -55.198 PRESSAVG: 4220200 -62.7194 -66.4984 18.0759 -66.4984 21.1951 55.0878 18.0759 55.0878 -22.8502 GPRESSAVG: 4220200 -63.2714 -65.3869 15.2862 -67.5403 20.9887 56.933 20.0545 54.0979 -22.2997 TIMING: 4220200 CPU: 12685.1, 0.00298712/step Wall: 12685.1, 0.00298712/step, 0.647043 hours remaining, 210.300781 MB of memory in use. ENERGY: 4220200 741.0097 2051.4068 1956.1567 123.4585 -206594.0809 17936.8076 0.0000 0.0000 34173.8547 -149611.3869 298.4488 -183785.2416 -149515.5295 297.8482 52.0352 90.5785 556483.1291 -21.4582 -21.5275 LDB: ============= START OF LOAD BALANCING ============== 12688.6 LDB: ============== END OF LOAD BALANCING =============== 12688.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12688.6 LDB: ============= START OF LOAD BALANCING ============== 12688.9 LDB: Largest compute 4773 load 0.029366 is 24.9% of average load 0.118151 LDB: Average compute 0.001735 is 1.5% of average load 0.118151 LDB: TIME 12688.9 LOAD: AVG 0.118151 MAX 0.205191 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.457 MB LDB: TIME 12688.9 LOAD: AVG 0.118151 MAX 0.205191 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.461 MB LDB: TIME 12688.9 LOAD: AVG 0.118151 MAX 0.205191 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.461 MB LDB: ============== END OF LOAD BALANCING =============== 12688.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12688.9 PRESSURE: 4220400 60.7017 85.1166 62.6437 85.1154 78.8546 -196.078 62.6444 -196.077 52.561 GPRESSURE: 4220400 128.816 58.4444 -19.7135 121.802 67.4879 -155.505 51.1843 -228.868 98.441 PRESSAVG: 4220400 6.4562 13.5041 49.3243 13.5043 27.8947 -28.0591 49.3243 -28.0591 13.4364 GPRESSAVG: 4220400 6.9798 14.7645 50.3878 13.8151 28.9254 -28.6099 49.2374 -27.5274 12.454 TIMING: 4220400 CPU: 12685.7, 0.00301285/step Wall: 12685.7, 0.00301285/step, 0.65245 hours remaining, 209.199219 MB of memory in use. ENERGY: 4220400 722.6181 2095.0345 1935.0814 113.0460 -206640.9001 17962.7405 0.0000 0.0000 34172.9217 -149639.4580 298.4406 -183812.3796 -149537.2640 298.6445 64.0391 98.2482 555977.5679 15.9291 16.1197 PRESSURE: 4220600 57.2981 -30.3098 152.591 -30.31 130.369 116.23 152.591 116.231 -95.4132 GPRESSURE: 4220600 133.373 8.93494 102.48 -92.0869 178.944 101.123 143.201 159.296 -121.56 PRESSAVG: 4220600 13.1984 18.8226 -7.12327 18.8226 24.9698 17.5718 -7.12336 17.5718 -29.7097 GPRESSAVG: 4220600 13.7883 16.8719 -5.97541 20.0581 24.9986 17.0768 -7.66581 17.7245 -30.5132 TIMING: 4220600 CPU: 12686.2, 0.00297378/step Wall: 12686.2, 0.00297378/step, 0.643823 hours remaining, 209.199219 MB of memory in use. ENERGY: 4220600 754.1765 2055.3796 1943.8652 107.7508 -206496.6693 18050.9533 0.0000 0.0000 34017.4189 -149567.1248 297.0826 -183584.5437 -149476.8764 298.6294 30.7513 63.5854 558398.6643 2.8195 2.7579 PRESSURE: 4220800 84.5545 -53.6364 74.2296 -53.6371 -8.90112 -30.8995 74.2307 -30.8987 -100.447 GPRESSURE: 4220800 101.498 -62.4418 83.4896 19.9889 41.237 -124.802 77.8177 -34.8979 -75.5897 PRESSAVG: 4220800 -49.8269 -29.7599 -8.51035 -29.7599 85.6261 24.7538 -8.51033 24.7538 -25.7724 GPRESSAVG: 4220800 -49.2685 -28.6669 -9.87513 -28.4842 84.2469 25.5593 -7.44859 23.0146 -24.8798 TIMING: 4220800 CPU: 12686.8, 0.00296986/step Wall: 12686.8, 0.00296986/step, 0.642809 hours remaining, 209.199219 MB of memory in use. ENERGY: 4220800 745.4139 2073.1324 1969.0698 134.2680 -206454.5914 17812.1268 0.0000 0.0000 34124.4779 -149596.1025 298.0176 -183720.5804 -149501.4204 298.3661 -8.2646 22.3817 556837.6137 3.3423 3.3662 PRESSURE: 4221000 3.30923 -101.18 132.386 -101.182 57.1703 -102.766 132.387 -102.766 -265.931 GPRESSURE: 4221000 17.4205 -139.876 107.147 -116.406 67.7772 -66.667 80.6563 -115.419 -188.437 PRESSAVG: 4221000 13.2462 -17.0096 42.2235 -17.0096 62.986 3.65302 42.2235 3.65303 -50.3535 GPRESSAVG: 4221000 12.6319 -18.0857 41.8314 -17.0116 64.0436 4.19307 41.7452 3.80836 -50.583 TIMING: 4221000 CPU: 12687.4, 0.002961/step Wall: 12687.4, 0.002961/step, 0.640727 hours remaining, 209.199219 MB of memory in use. ENERGY: 4221000 727.3769 2089.6033 1912.8392 109.4768 -206531.8827 17822.5107 0.0000 0.0000 34222.5207 -149647.5550 298.8738 -183870.0757 -149546.5452 297.7286 -68.4836 -34.4132 557531.5510 8.6262 8.6975 PRESSURE: 4221200 -128.226 -41.4021 148.39 -41.4022 9.81958 -42.2442 148.39 -42.2431 6.82389 GPRESSURE: 4221200 -127.962 -20.5373 144.992 -77.6042 88.5974 -13.1678 147.314 -106.881 21.7004 PRESSAVG: 4221200 13.4888 2.15839 18.593 2.15839 74.2254 20.4019 18.5932 20.4017 -57.2202 GPRESSAVG: 4221200 13.6118 2.83454 21.8535 0.782718 73.6049 21.6493 16.7888 21.1321 -56.4312 TIMING: 4221200 CPU: 12688, 0.00296176/step Wall: 12688, 0.00296176/step, 0.640726 hours remaining, 209.265625 MB of memory in use. ENERGY: 4221200 747.0634 2108.2119 1962.9661 117.6790 -206479.1746 17803.3063 0.0000 0.0000 34128.2229 -149611.7249 298.0503 -183739.9478 -149517.5139 298.3904 -37.1943 -5.8880 557141.0920 10.1647 10.2618 PRESSURE: 4221400 265.324 23.2525 80.6032 23.2508 77.5177 24.966 80.6031 24.9654 270.649 GPRESSURE: 4221400 333.972 27.6106 18.3378 64.7077 116.525 69.859 117.419 70.8581 263.397 PRESSAVG: 4221400 -25.5328 36.9029 -0.559042 36.9028 -10.2055 24.166 -0.559075 24.1659 2.24953 GPRESSAVG: 4221400 -25.5808 38.8206 -3.03417 37.0587 -9.79973 23.6562 0.00409752 24.726 1.85887 TIMING: 4221400 CPU: 12688.6, 0.00294065/step Wall: 12688.6, 0.00294065/step, 0.635997 hours remaining, 209.265625 MB of memory in use. ENERGY: 4221400 766.7596 2133.8844 1934.8628 112.2708 -207091.1440 18359.9104 0.0000 0.0000 34164.9177 -149618.5383 298.3707 -183783.4560 -149521.9110 298.6654 204.4969 237.9647 556651.8481 -11.1629 -11.1739 PRESSURE: 4221600 -178.791 -5.13928 151.141 -5.13927 -126.778 216.948 151.14 216.949 -85.8353 GPRESSURE: 4221600 -201.629 -80.985 173.169 -39.8304 -80.8641 265.503 94.0104 90.3196 -19.4654 PRESSAVG: 4221600 -41.0884 -4.95896 -8.27543 -4.95903 42.7152 -7.52553 -8.27544 -7.52541 11.678 GPRESSAVG: 4221600 -41.6298 -5.74651 -7.1283 -5.38105 43.488 -7.08537 -7.02668 -10.0459 11.9127 TIMING: 4221600 CPU: 12689.2, 0.00295077/step Wall: 12689.2, 0.00295077/step, 0.638023 hours remaining, 209.265625 MB of memory in use. ENERGY: 4221600 809.2833 2081.1299 1941.7982 112.2308 -206637.0569 17882.9253 0.0000 0.0000 34206.4131 -149603.2762 298.7331 -183809.6893 -149506.6064 298.3490 -130.4681 -100.6528 556989.9665 4.4349 4.5903 PRESSURE: 4221800 -119.087 -145.314 67.0614 -145.314 -7.32243 -123.601 67.0625 -123.603 -117.238 GPRESSURE: 4221800 -80.9825 -258.032 -11.3934 -69.728 46.9283 -91.6176 28.6999 -104.049 -120.304 PRESSAVG: 4221800 -18.4224 46.1462 19.3065 46.1464 57.848 -60.4864 19.3066 -60.4864 -22.8493 GPRESSAVG: 4221800 -18.6822 44.5069 19.2027 47.9285 57.5331 -62.5598 18.527 -56.9607 -22.771 TIMING: 4221800 CPU: 12689.8, 0.00293342/step Wall: 12689.8, 0.00293342/step, 0.634107 hours remaining, 209.265625 MB of memory in use. ENERGY: 4221800 748.8542 2105.1610 1965.4719 120.9010 -206439.5768 17863.1158 0.0000 0.0000 34101.0107 -149535.0621 297.8126 -183636.0729 -149437.2685 298.6989 -81.2159 -51.4529 558413.3981 5.5254 5.3600 PRESSURE: 4222000 26.5285 -242.834 154.352 -242.835 -70.6404 5.92391 154.353 5.92253 53.3856 GPRESSURE: 4222000 87.8527 -339.024 113.61 -232.191 -68.1587 -10.8855 186.242 99.2315 80.9133 PRESSAVG: 4222000 -6.75683 -15.6443 -8.5961 -15.6442 -33.6454 -21.6479 -8.59614 -21.648 22.1008 GPRESSAVG: 4222000 -7.11878 -14.6547 -8.8415 -19.5537 -33.1177 -21.4165 -8.08795 -23.2255 22.1589 TIMING: 4222000 CPU: 12690.4, 0.00295632/step Wall: 12690.4, 0.00295632/step, 0.638894 hours remaining, 209.265625 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: 4222000 747.6590 2105.7619 1915.5047 105.2820 -206621.6804 17936.9838 0.0000 0.0000 34151.1160 -149659.3730 298.2502 -183810.4891 -149565.3202 298.1509 3.0912 33.5358 556189.4670 -6.1005 -6.0259 PRESSURE: 4222200 -122.262 -37.8917 135.205 -37.8918 -76.6584 132.193 135.206 132.193 109.277 GPRESSURE: 4222200 -108.03 -20.7089 120.799 -79.795 -33.2759 92.0754 186.929 183.65 131.393 PRESSAVG: 4222200 -1.80696 -102.293 31.3498 -102.293 20.5997 -20.7828 31.3497 -20.7829 7.26469 GPRESSAVG: 4222200 -0.340495 -102.218 29.4904 -98.5442 19.7358 -20.7396 35.3345 -21.2207 6.31153 TIMING: 4222200 CPU: 12691, 0.00296385/step Wall: 12691, 0.00296385/step, 0.640357 hours remaining, 209.265625 MB of memory in use. ENERGY: 4222200 762.0598 2049.1237 1942.8320 117.7160 -206450.2379 17818.8212 0.0000 0.0000 34193.6576 -149566.0276 298.6217 -183759.6852 -149466.1566 298.3280 -29.8814 -3.3044 556090.6122 8.6858 8.5689 PRESSURE: 4222400 15.4947 147.873 -19.51 147.872 145.109 -29.1626 -19.5109 -29.1635 240.881 GPRESSURE: 4222400 71.6189 86.6045 -36.3721 144.844 149.909 -123.807 9.66445 34.6694 276.508 PRESSAVG: 4222400 21.1164 -22.3502 24.6644 -22.3502 -52.2827 -6.43227 24.6644 -6.43244 50.4607 GPRESSAVG: 4222400 19.9772 -24.3105 26.906 -22.5832 -51.7556 -5.01396 22.6074 -6.06074 51.5776 TIMING: 4222400 CPU: 12691.6, 0.00294329/step Wall: 12691.6, 0.00294329/step, 0.635751 hours remaining, 209.265625 MB of memory in use. ENERGY: 4222400 748.6973 2063.9056 1927.8019 110.5410 -206551.1821 17970.2090 0.0000 0.0000 34226.8205 -149503.2068 298.9113 -183730.0272 -149406.1529 297.8446 133.8284 166.0119 556988.8014 6.4315 6.5998 PRESSURE: 4222600 134.14 -37.5255 -6.05711 -37.5253 -180.295 55.496 -6.05669 55.4947 12.0245 GPRESSURE: 4222600 128.563 -52.1917 30.2605 -122.491 -152.108 21.0356 60.031 100.006 90.0296 PRESSAVG: 4222600 44.6103 -32.6877 51.8729 -32.6877 -45.1003 27.2944 51.8729 27.2944 9.22039 GPRESSAVG: 4222600 44.7976 -31.8458 51.2284 -32.5253 -45.2309 25.6452 51.1898 26.8584 9.20285 TIMING: 4222600 CPU: 12692.2, 0.00295809/step Wall: 12692.2, 0.00295809/step, 0.638783 hours remaining, 209.265625 MB of memory in use. ENERGY: 4222600 725.4431 2097.6864 1946.5985 104.4050 -206214.0451 17691.9951 0.0000 0.0000 34180.1475 -149467.7695 298.5037 -183647.9171 -149364.0323 298.5400 -11.3770 22.1616 557883.0407 2.9101 2.9232 PRESSURE: 4222800 -58.196 94.4861 16.8789 94.4861 69.0007 12.4586 16.8795 12.4582 -90.2668 GPRESSURE: 4222800 -24.0344 101.174 -12.0394 137.767 83.2467 44.6628 1.06878 -9.04325 -44.0421 PRESSAVG: 4222800 58.345 19.4288 22.4515 19.4288 -12.8479 -20.6405 22.4514 -20.6406 -31.767 GPRESSAVG: 4222800 57.9189 18.7719 22.889 20.4349 -12.1992 -19.7452 20.836 -20.8205 -31.9082 TIMING: 4222800 CPU: 12692.7, 0.00294463/step Wall: 12692.7, 0.00294463/step, 0.635713 hours remaining, 209.265625 MB of memory in use. ENERGY: 4222800 778.6266 2103.0562 1940.3834 111.8356 -206392.7755 17902.9672 0.0000 0.0000 34122.4083 -149433.4980 297.9995 -183555.9064 -149329.9827 299.0016 -26.4873 5.0567 557192.1549 4.5767 4.6038 PRESSURE: 4223000 31.8318 123.192 -110.26 123.192 -50.1588 110.165 -110.259 110.165 164.552 GPRESSURE: 4223000 41.0219 22.7309 -65.3729 148.83 25.9499 29.0456 -106.182 108.717 175.855 PRESSAVG: 4223000 29.5573 35.2732 19.0727 35.2733 -4.21132 9.0584 19.0727 9.05824 -55.2268 GPRESSAVG: 4223000 29.4976 35.1216 18.0441 34.9613 -4.21972 11.8422 20.7846 8.4934 -55.2849 TIMING: 4223000 CPU: 12693.3, 0.00295649/step Wall: 12693.3, 0.00295649/step, 0.638108 hours remaining, 209.265625 MB of memory in use. ENERGY: 4223000 764.4074 2083.7643 1936.0644 126.6649 -206184.3346 17776.6122 0.0000 0.0000 34112.7391 -149384.0823 297.9150 -183496.8214 -149289.5731 299.0595 48.7416 80.9422 556743.1649 -9.9603 -10.0024 PRESSURE: 4223200 -105.351 23.6995 -22.2717 23.6987 13.4213 -42.1427 -22.2702 -42.1431 -44.5615 GPRESSURE: 4223200 -41.8756 7.99807 0.289032 -71.223 -29.9878 -100.3 -45.2664 -66.1062 29.1546 PRESSAVG: 4223200 10.0341 4.68614 22.9213 4.68615 2.17213 4.32457 22.9214 4.32451 -4.03965 GPRESSAVG: 4223200 9.98628 4.44751 24.1775 3.56861 1.78339 1.21847 23.204 4.52356 -3.89213 TIMING: 4223200 CPU: 12693.9, 0.00295907/step Wall: 12693.9, 0.00295907/step, 0.638502 hours remaining, 209.265625 MB of memory in use. ENERGY: 4223200 781.3919 2119.9639 1933.9270 122.6698 -206539.2672 17862.2745 0.0000 0.0000 34460.0714 -149258.9688 300.9484 -183719.0401 -149167.4757 299.3593 -45.4970 -14.2363 557547.4402 2.7222 2.6258 PRESSURE: 4223400 116.908 8.93598 124.565 8.93728 2.0639 -28.5087 124.565 -28.5107 -227.787 GPRESSURE: 4223400 133.784 18.017 62.2592 26.2749 94.2053 -20.9386 74.086 -59.3138 -250.23 PRESSAVG: 4223400 61.7444 10.8863 5.4499 10.8862 -12.1728 -14.8659 5.4499 -14.8659 -15.3089 GPRESSAVG: 4223400 60.6894 11.6849 5.34683 8.89457 -12.4251 -14.0451 3.48751 -13.6508 -14.4685 TIMING: 4223400 CPU: 12694.5, 0.00294339/step Wall: 12694.5, 0.00294339/step, 0.634955 hours remaining, 209.265625 MB of memory in use. ENERGY: 4223400 759.7743 2110.3400 1919.6744 115.2302 -206006.1523 17697.0752 0.0000 0.0000 34201.9046 -149202.1537 298.6937 -183404.0582 -149105.2997 299.3985 -36.2716 -7.4134 556394.9998 11.4209 11.2653 PRESSURE: 4223600 108.608 84.5709 89.4413 84.5713 -170.484 -122.817 89.4419 -122.817 -392.586 GPRESSURE: 4223600 174.426 131.124 44.1395 69.0593 -134.045 -145.334 -0.364389 -105.879 -384.708 PRESSAVG: 4223600 36.756 -43.9727 28.3117 -43.9727 23.0903 -19.6688 28.3115 -19.6689 -92.2153 GPRESSAVG: 4223600 37.8854 -43.3675 29.1911 -44.8036 22.2143 -19.9039 28.4561 -20.7492 -92.8801 TIMING: 4223600 CPU: 12695.1, 0.00297964/step Wall: 12695.1, 0.00297964/step, 0.64261 hours remaining, 209.265625 MB of memory in use. ENERGY: 4223600 759.3793 2113.5694 1908.9708 100.5851 -205815.0285 17582.7014 0.0000 0.0000 34193.9165 -149155.9059 298.6240 -183349.8225 -149062.8621 299.4804 -151.4875 -114.7756 557887.5363 -10.7897 -10.9268 PRESSURE: 4223800 287.4 3.06376 -28.8648 3.06391 42.9737 -109.632 -28.8653 -109.633 -33.3603 GPRESSURE: 4223800 370.094 17.6182 -88.9751 -15.6877 9.67231 -114.189 12.0256 -94.2509 11.0329 PRESSAVG: 4223800 66.0875 2.63192 27.2739 2.63196 -10.2826 -23.7941 27.2739 -23.7941 -15.6948 GPRESSAVG: 4223800 64.9566 4.02106 25.8807 2.80189 -10.2505 -24.9562 28.8171 -24.5209 -14.2444 TIMING: 4223800 CPU: 12695.7, 0.00294444/step Wall: 12695.7, 0.00294444/step, 0.634855 hours remaining, 209.265625 MB of memory in use. ENERGY: 4223800 730.7216 2146.1871 1929.4973 105.8432 -206135.5198 17813.8235 0.0000 0.0000 34168.4808 -149240.9663 298.4018 -183409.4471 -149136.9533 299.5220 99.0046 130.2664 556783.4839 13.3700 13.4872 PRESSURE: 4224000 -89.8683 -170.06 -99.9973 -170.06 -177.294 -68.83 -99.9972 -68.8298 -105.504 GPRESSURE: 4224000 -55.6051 -172.237 -106.318 -112.054 -134.998 -59.1518 -85.766 -124.959 -80.5009 PRESSAVG: 4224000 26.2615 6.96096 -23.8912 6.9611 -70.4217 -30.6394 -23.8912 -30.6393 10.0903 GPRESSAVG: 4224000 26.1769 6.78408 -25.8293 7.45307 -69.9839 -28.798 -23.872 -28.934 9.27306 TIMING: 4224000 CPU: 12696.3, 0.00296944/step Wall: 12696.3, 0.00296944/step, 0.640079 hours remaining, 209.265625 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: 4224000 764.8652 2116.6653 1910.9503 122.0418 -206035.5889 17653.1571 0.0000 0.0000 34178.7420 -149289.1672 298.4915 -183467.9092 -149192.5825 299.8819 -124.2222 -90.3680 557558.1635 -11.3566 -11.5113 PRESSURE: 4224200 -110.755 -15.8325 61.0574 -15.832 -325.643 140.959 61.0572 140.959 -65.5786 GPRESSURE: 4224200 -82.9416 -40.3692 19.4988 32.9172 -329.861 193.577 116.461 110.378 9.44187 PRESSAVG: 4224200 35.7574 32.8425 -27.669 32.8425 -10.3788 32.4301 -27.669 32.4301 23.5803 GPRESSAVG: 4224200 35.6428 31.1283 -27.038 32.2922 -11.0018 32.2278 -27.2526 32.268 23.6343 TIMING: 4224200 CPU: 12696.9, 0.0029665/step Wall: 12696.9, 0.0029665/step, 0.639281 hours remaining, 209.265625 MB of memory in use. ENERGY: 4224200 794.1874 2079.2554 1970.9545 134.8887 -206400.2547 17729.2189 0.0000 0.0000 34388.7543 -149302.9954 300.3255 -183691.7497 -149201.3989 299.3041 -167.3253 -134.4535 557183.9513 16.3196 16.0918 LDB: ============= START OF LOAD BALANCING ============== 12700.4 LDB: ============== END OF LOAD BALANCING =============== 12700.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12700.4 LDB: ============= START OF LOAD BALANCING ============== 12700.7 LDB: Largest compute 4772 load 0.027952 is 23.6% of average load 0.118219 LDB: Average compute 0.001726 is 1.5% of average load 0.118219 LDB: TIME 12700.7 LOAD: AVG 0.118219 MAX 0.208108 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.867 MB LDB: TIME 12700.7 LOAD: AVG 0.118219 MAX 0.208108 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.883 MB LDB: TIME 12700.7 LOAD: AVG 0.118219 MAX 0.208108 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.883 MB LDB: ============== END OF LOAD BALANCING =============== 12700.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12700.7 PRESSURE: 4224400 -89.5028 139.28 -38.0139 139.281 -476.507 -78.5899 -38.0124 -78.5912 -218.994 GPRESSURE: 4224400 -70.7561 144.386 -55.4513 141.18 -453.848 -22.4708 -4.96252 -82.8505 -158.221 PRESSAVG: 4224400 -14.2916 -3.8327 -21.6471 -3.83265 -18.2689 -6.39349 -21.6472 -6.39352 48.6121 GPRESSAVG: 4224400 -13.9124 -4.56567 -19.5615 -1.7406 -18.6267 -7.242 -23.086 -5.11222 48.281 TIMING: 4224400 CPU: 12697.5, 0.00305014/step Wall: 12697.5, 0.00305014/step, 0.657136 hours remaining, 208.683594 MB of memory in use. ENERGY: 4224400 764.3373 2092.3980 1953.4815 105.6053 -205938.4555 17564.9402 0.0000 0.0000 34037.2401 -149420.4532 297.2557 -183457.6933 -149325.7689 299.5163 -261.6679 -227.6085 558202.2848 5.3505 5.2473 PRESSURE: 4224600 131.604 50.4192 107.095 50.4196 -101.929 92.581 107.094 92.5795 163.513 GPRESSURE: 4224600 157.979 49.8217 -46.6049 30.7181 -22.6912 54.4345 202.587 209.855 156.526 PRESSAVG: 4224600 43.3735 -13.3707 -52.0641 -13.3707 -59.1816 -66.0797 -52.0642 -66.0797 44.0014 GPRESSAVG: 4224600 42.8216 -14.1111 -54.3252 -13.5812 -57.955 -65.1528 -49.8097 -68.7238 42.9958 TIMING: 4224600 CPU: 12698.1, 0.00297559/step Wall: 12698.1, 0.00297559/step, 0.640909 hours remaining, 208.683594 MB of memory in use. ENERGY: 4224600 732.2270 2084.8924 1948.0570 117.3707 -206464.6192 17994.0245 0.0000 0.0000 34196.9792 -149391.0684 298.6507 -183588.0476 -149301.2769 299.0047 64.3962 97.2713 556865.8793 9.3978 9.2875 PRESSURE: 4224800 -16.1011 -113.506 240.115 -113.506 -195.687 -105.123 240.115 -105.122 -116.295 GPRESSURE: 4224800 23.3345 -149.692 262.213 -130.752 -266.134 -37.4163 245.99 -129.207 13.7285 PRESSAVG: 4224800 7.9298 19.3442 38.3845 19.3443 -44.2446 -19.5068 38.3844 -19.5068 45.8749 GPRESSAVG: 4224800 7.96972 19.867 38.38 20.5445 -45.2592 -20.9832 36.8499 -18.5851 46.6102 TIMING: 4224800 CPU: 12698.7, 0.00296355/step Wall: 12698.7, 0.00296355/step, 0.638151 hours remaining, 208.683594 MB of memory in use. ENERGY: 4224800 785.3914 2081.4023 1902.9343 121.5176 -205741.9868 17604.5216 0.0000 0.0000 34038.6460 -149207.5737 297.2680 -183246.2197 -149116.1732 298.5335 -109.3612 -76.3569 556761.8382 3.1867 3.1069 PRESSURE: 4225000 131.915 96.5331 71.9671 96.5338 160.264 143.707 71.9658 143.708 237.355 GPRESSURE: 4225000 195.306 61.2125 79.611 85.2915 144.435 123.879 39.3346 138.784 286.411 PRESSAVG: 4225000 21.1351 12.1581 -7.87848 12.1582 -29.4338 56.3188 -7.87856 56.3189 25.808 GPRESSAVG: 4225000 20.1571 12.868 -6.10683 11.0871 -28.4342 55.3781 -7.38554 54.8537 25.1245 TIMING: 4225000 CPU: 12699.3, 0.00298858/step Wall: 12699.3, 0.00298858/step, 0.643375 hours remaining, 208.683594 MB of memory in use. ENERGY: 4225000 748.2089 2131.6683 1906.9792 114.8223 -206558.5393 18062.3470 0.0000 0.0000 34294.6497 -149299.8640 299.5037 -183594.5137 -149204.4136 298.9581 176.5114 208.7175 557294.8868 5.8364 5.6158 PRESSURE: 4225200 69.0667 -77.6752 18.8511 -77.6753 -337.332 -67.6201 18.8509 -67.6193 -22.8758 GPRESSURE: 4225200 138.285 -55.7314 -3.26345 -19.0785 -266.882 -109.557 41.0642 -52.9248 -56.8261 PRESSAVG: 4225200 31.4292 -26.1689 21.6298 -26.1689 18.1389 56.5876 21.6299 56.5877 -48.1964 GPRESSAVG: 4225200 31.7716 -25.5073 19.2179 -25.9236 17.341 59.7169 22.9061 56.7871 -47.5771 TIMING: 4225200 CPU: 12699.9, 0.00297435/step Wall: 12699.9, 0.00297435/step, 0.640146 hours remaining, 208.683594 MB of memory in use. ENERGY: 4225200 735.9726 2126.4058 1954.0463 129.3690 -206009.2614 17739.3484 0.0000 0.0000 34207.5004 -149116.6189 298.7426 -183324.1193 -149025.0397 299.0664 -97.0469 -61.8077 558257.2413 0.4572 0.5118 PRESSURE: 4225400 213.2 169.868 110.569 169.868 160.316 108.919 110.567 108.918 -80.1364 GPRESSURE: 4225400 241.443 147.632 153.871 127.567 204.712 65.8882 -37.4291 65.0251 -58.1109 PRESSAVG: 4225400 -39.1099 -28.1017 -1.02171 -28.1017 14.6158 2.02509 -1.02168 2.02522 11.7159 GPRESSAVG: 4225400 -38.8837 -28.0181 -0.932479 -29.0714 16.0349 1.23481 -3.8623 4.19964 10.2297 TIMING: 4225400 CPU: 12700.5, 0.00296658/step Wall: 12700.5, 0.00296658/step, 0.638309 hours remaining, 208.683594 MB of memory in use. ENERGY: 4225400 775.5761 2125.6003 1957.5349 122.8688 -206410.5344 17873.9460 0.0000 0.0000 34396.0900 -149158.9183 300.3896 -183555.0083 -149067.0948 299.4133 97.7933 129.3479 555902.5704 -4.2594 -4.2064 PRESSURE: 4225600 62.1609 -86.3091 -23.2721 -86.3095 -120.984 -84.5085 -23.2718 -84.5079 -248.294 GPRESSURE: 4225600 124.763 -73.1162 -125.338 -100.31 -124.054 -122.473 11.3732 19.5292 -207.021 PRESSAVG: 4225600 -18.1931 -10.6074 -53.0587 -10.6074 44.3261 69.9287 -53.0587 69.9288 -51.0796 GPRESSAVG: 4225600 -17.448 -10.7893 -52.9732 -10.4862 42.8907 69.2722 -49.4761 69.0004 -50.3386 TIMING: 4225600 CPU: 12701.1, 0.00296099/step Wall: 12701.1, 0.00296099/step, 0.636941 hours remaining, 208.683594 MB of memory in use. ENERGY: 4225600 779.2835 2069.3585 1931.7344 119.6159 -205834.9307 17490.0905 0.0000 0.0000 34244.1922 -149200.6555 299.0630 -183444.8478 -149115.3521 299.0778 -102.3721 -68.7708 556403.8056 -8.3155 -8.2986 PRESSURE: 4225800 -292.311 2.1375 108.316 2.13731 -62.0074 49.031 108.316 49.0307 -160.053 GPRESSURE: 4225800 -221.829 -39.3445 121.656 62.8484 -3.73755 7.83264 129.531 103.463 -197.806 PRESSAVG: 4225800 -12.7344 -12.8492 -17.7058 -12.8492 49.5919 -23.6686 -17.7057 -23.6686 13.4977 GPRESSAVG: 4225800 -12.459 -11.9506 -17.5262 -12.6856 48.516 -21.8988 -17.683 -24.5288 14.7851 TIMING: 4225800 CPU: 12701.7, 0.00294157/step Wall: 12701.7, 0.00294157/step, 0.632602 hours remaining, 208.683594 MB of memory in use. ENERGY: 4225800 717.1770 2144.0628 1954.8630 104.1512 -205816.3090 17345.3282 0.0000 0.0000 34305.8915 -149244.8352 299.6019 -183550.7268 -149152.3713 298.9043 -171.4571 -141.1242 556515.7677 16.7850 16.9474 PRESSURE: 4226000 53.3907 -85.8036 -62.2932 -85.804 307.439 234.726 -62.2924 234.726 168.416 GPRESSURE: 4226000 61.0904 -99.7205 -56.5865 -37.6765 368.008 153.353 -38.6634 272.396 194.005 PRESSAVG: 4226000 -94.5141 -17.1537 -4.29722 -17.1537 43.6334 64.9505 -4.29726 64.9505 49.746 GPRESSAVG: 4226000 -94.9757 -19.4626 -5.56989 -16.4284 45.3702 64.5551 -5.43254 64.9788 49.0712 TIMING: 4226000 CPU: 12702.2, 0.00296873/step Wall: 12702.2, 0.00296873/step, 0.638277 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: 4226000 746.2921 2050.6817 1953.3524 124.0381 -206551.9621 18186.6708 0.0000 0.0000 34303.6407 -149187.2863 299.5822 -183490.9270 -149089.8267 299.3298 176.4155 207.7011 556595.9295 -0.3783 -0.1781 PRESSURE: 4226200 -78.9208 -110.484 -163.997 -110.486 -66.284 124.667 -163.999 124.669 47.4022 GPRESSURE: 4226200 -55.8025 -179.808 -195.081 -94.4025 -52.2303 130.582 -145.435 140.899 98.5523 PRESSAVG: 4226200 -9.66246 3.38337 -46.6386 3.38332 -24.4829 48.0002 -46.6385 48.0002 24.5401 GPRESSAVG: 4226200 -9.15678 3.46316 -45.6233 2.30633 -24.685 46.7673 -45.1683 48.1899 24.8547 TIMING: 4226200 CPU: 12702.8, 0.00295505/step Wall: 12702.8, 0.00295505/step, 0.635171 hours remaining, 208.683594 MB of memory in use. ENERGY: 4226200 744.4205 2045.8117 1970.3971 114.5104 -206068.7407 17766.9348 0.0000 0.0000 34326.4449 -149100.2212 299.7814 -183426.6661 -149004.3627 299.1835 -32.6009 -3.1602 558786.6016 -3.2017 -2.9957 PRESSURE: 4226400 -175.671 20.3446 4.66988 20.3447 -36.026 -157.41 4.66839 -157.41 -254.63 GPRESSURE: 4226400 -155.868 32.9928 -93.9004 -6.26917 -19.2548 -174.054 40.4459 -166.206 -189.924 PRESSAVG: 4226400 15.3742 -10.4176 -26.9419 -10.4176 6.42179 -36.6712 -26.9419 -36.6712 -51.8575 GPRESSAVG: 4226400 14.2743 -9.24487 -28.707 -8.10786 7.10362 -37.2441 -27.1489 -36.8782 -52.0505 TIMING: 4226400 CPU: 12703.4, 0.00294855/step Wall: 12703.4, 0.00294855/step, 0.63361 hours remaining, 208.746094 MB of memory in use. ENERGY: 4226400 747.2780 2066.4923 1949.5115 97.0809 -206153.8234 17692.9776 0.0000 0.0000 34203.2288 -149397.2544 298.7053 -183600.4832 -149298.1337 299.0247 -155.4422 -121.6823 559429.3816 -10.0205 -10.2242 PRESSURE: 4226600 -177.345 -19.3992 36.3156 -19.3975 -373.368 102.823 36.3157 102.824 -26.3285 GPRESSURE: 4226600 -139.451 -29.8774 85.8832 -56.724 -338.35 37.5693 -3.98854 109.449 1.80572 PRESSAVG: 4226600 -87.7707 37.454 -6.53119 37.454 69.36 -5.76245 -6.5311 -5.76247 -39.6193 GPRESSAVG: 4226600 -86.9886 36.0446 -3.9295 34.3319 68.1658 -5.46858 -8.64738 -6.05095 -39.287 TIMING: 4226600 CPU: 12704, 0.0029531/step Wall: 12704, 0.0029531/step, 0.634424 hours remaining, 208.746094 MB of memory in use. ENERGY: 4226600 747.6403 2100.5386 1934.5865 120.6730 -206255.1584 17654.9617 0.0000 0.0000 34138.8275 -149557.9308 298.1429 -183696.7583 -149453.0818 298.3543 -192.3471 -158.6650 559788.1479 -19.3433 -19.3699 PRESSURE: 4226800 -297.569 185.694 -209.542 185.693 -8.46572 -89.9897 -209.542 -89.9892 -78.2372 GPRESSURE: 4226800 -270.41 232.378 -141.724 145.014 19.4833 -161.75 -201.131 -108.285 -43.0377 PRESSAVG: 4226800 -66.0086 14.0096 -21.1835 14.0096 -30.9373 12.9765 -21.1835 12.9765 72.7085 GPRESSAVG: 4226800 -66.0826 13.801 -21.2936 14.9012 -30.731 12.4578 -19.9046 14.9807 73.0608 TIMING: 4226800 CPU: 12704.6, 0.00294318/step Wall: 12704.6, 0.00294318/step, 0.63213 hours remaining, 208.746094 MB of memory in use. ENERGY: 4226800 753.3016 2112.9422 1936.6167 117.4425 -205943.4949 17749.4512 0.0000 0.0000 33957.1975 -149316.5432 296.5567 -183273.7407 -149216.6030 297.4966 -128.0905 -97.9880 558216.8510 -8.0791 -7.9176 PRESSURE: 4227000 -57.1274 -22.499 -80.2424 -22.4982 -56.1702 -15.236 -80.242 -15.2346 170.083 GPRESSURE: 4227000 -1.3683 -5.94236 -104.399 -101.979 8.45802 31.1442 -152.159 -5.56433 146.43 PRESSAVG: 4227000 -78.8868 -62.1854 -21.3521 -62.1853 -26.5191 -55.9713 -21.3521 -55.9713 67.0662 GPRESSAVG: 4227000 -79.2082 -60.8283 -21.5322 -63.634 -25.0006 -54.2403 -21.4769 -57.6105 65.9751 TIMING: 4227000 CPU: 12705.2, 0.00294013/step Wall: 12705.2, 0.00294013/step, 0.63131 hours remaining, 208.746094 MB of memory in use. ENERGY: 4227000 719.5863 2097.9087 1941.0407 111.3757 -206437.0756 18017.1193 0.0000 0.0000 34169.1510 -149380.8938 298.4077 -183550.0448 -149282.2423 297.9315 18.9286 51.1733 558214.3312 -12.7799 -12.7446 PRESSURE: 4227200 -52.9358 -93.2769 -163.705 -93.2757 -168.298 -10.3082 -163.706 -10.307 -267.773 GPRESSURE: 4227200 -66.5222 -42.7636 -197.915 -93.8132 -126.489 -46.6945 -151.865 27.7289 -186.208 PRESSAVG: 4227200 -15.5098 62.395 -53.3355 62.3951 -5.51769 -11.6417 -53.3355 -11.6417 40.416 GPRESSAVG: 4227200 -15.5757 63.0597 -54.6226 65.1183 -6.89272 -12.3191 -52.1855 -12.0302 41.5341 TIMING: 4227200 CPU: 12705.8, 0.00294841/step Wall: 12705.8, 0.00294841/step, 0.632925 hours remaining, 208.746094 MB of memory in use. ENERGY: 4227200 719.8735 2037.6765 1954.2983 108.2918 -206216.6358 17845.2420 0.0000 0.0000 34100.7337 -149450.5200 297.8102 -183551.2537 -149344.2661 298.5405 -163.0021 -126.4063 559843.5167 6.4628 6.3552 PRESSURE: 4227400 4.81046 -177.166 -91.0911 -177.167 -152.922 15.1202 -91.0914 15.1186 79.7605 GPRESSURE: 4227400 13.5854 -124.109 -64.9077 -164.475 -108.046 -1.17298 -216.25 62.7446 134.54 PRESSAVG: 4227400 7.91839 10.929 -32.3712 10.929 -13.8027 -22.1987 -32.3712 -22.1987 30.2105 GPRESSAVG: 4227400 7.72722 8.7241 -31.8402 8.66988 -13.4294 -21.849 -32.3594 -22.9673 30.7021 TIMING: 4227400 CPU: 12706.4, 0.00297474/step Wall: 12706.4, 0.00297474/step, 0.638412 hours remaining, 208.746094 MB of memory in use. ENERGY: 4227400 736.8865 2064.3933 1967.2128 110.5063 -206253.3596 17812.0194 0.0000 0.0000 34127.4287 -149434.9126 298.0433 -183562.3413 -149345.1055 298.6819 -22.7838 13.3598 557894.4721 8.1087 8.3333 PRESSURE: 4227600 -147.127 -29.4689 -70.8921 -29.4676 66.5065 96.2741 -70.8909 96.2755 378.218 GPRESSURE: 4227600 -93.6492 -70.1733 -78.585 -59.058 95.8828 147.456 -63.8972 85.5508 381.905 PRESSAVG: 4227600 9.23486 -1.70804 21.2611 -1.7081 30.9662 28.8973 21.261 28.8972 5.44067 GPRESSAVG: 4227600 9.86548 -1.0539 20.1739 0.458971 31.2407 28.7332 18.2497 29.6284 4.53467 TIMING: 4227600 CPU: 12707, 0.00295345/step Wall: 12707, 0.00295345/step, 0.633678 hours remaining, 208.746094 MB of memory in use. ENERGY: 4227600 711.7132 2125.1647 1947.6002 105.4379 -206389.8376 17842.6477 0.0000 0.0000 34278.4154 -149378.8584 299.3619 -183657.2738 -149278.7803 298.5735 99.1991 128.0463 556453.4186 15.2139 15.2136 PRESSURE: 4227800 -146.268 36.5429 -45.5241 36.5432 -198.402 -123.69 -45.5244 -123.691 -299.845 GPRESSURE: 4227800 -134.645 -41.3541 -21.5232 70.9046 -163.087 -115.573 -163.536 -102.672 -242.832 PRESSAVG: 4227800 -9.7976 -8.2963 -21.7821 -8.2963 60.3586 -6.8564 -21.7821 -6.8563 -72.1044 GPRESSAVG: 4227800 -8.94961 -6.88998 -20.2441 -9.12434 60.0231 -6.58283 -20.6689 -6.36259 -72.3884 TIMING: 4227800 CPU: 12707.6, 0.00295527/step Wall: 12707.6, 0.00295527/step, 0.633905 hours remaining, 208.746094 MB of memory in use. ENERGY: 4227800 741.3586 2104.9834 1934.8050 121.1760 -206149.3753 17619.6866 0.0000 0.0000 34332.6686 -149294.6970 299.8357 -183627.3657 -149195.7363 298.8614 -214.8381 -180.1881 558577.4918 -7.1811 -7.1050 PRESSURE: 4228000 -112.142 -55.1165 155.146 -55.1175 -13.8563 72.1481 155.146 72.1465 -260.988 GPRESSURE: 4228000 -31.1528 -50.5612 97.8438 21.9174 -39.6387 -7.30712 238.7 111.31 -212.559 PRESSAVG: 4228000 -0.957371 9.79576 11.8965 9.79577 67.3017 40.2612 11.8964 40.2612 -72.5922 GPRESSAVG: 4228000 -0.43338 8.2059 10.4879 10.5385 66.4368 40.5024 11.2195 39.8677 -72.8798 TIMING: 4228000 CPU: 12708.2, 0.00295834/step Wall: 12708.2, 0.00295834/step, 0.634399 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: 4228000 769.2128 2047.2223 1934.1136 106.4417 -206283.9682 17851.0447 0.0000 0.0000 34255.5999 -149320.3333 299.1627 -183575.9332 -149222.9860 298.3513 -128.9953 -94.4503 557843.4240 -2.0826 -2.2921 PRESSURE: 4228200 13.3984 -126.155 -63.4002 -126.154 213.029 29.7123 -63.3995 29.7104 -89.2722 GPRESSURE: 4228200 22.8573 -121.081 -16.5078 -126.162 267.207 6.46553 -112.386 22.2319 -56.3883 PRESSAVG: 4228200 1.03094 -36.9529 -61.9868 -36.9528 63.1287 11.7016 -61.9866 11.7017 -41.7949 GPRESSAVG: 4228200 -0.0907243 -36.5796 -59.5883 -37.1738 63.1278 9.99678 -62.3831 13.6309 -40.6172 TIMING: 4228200 CPU: 12708.7, 0.00297596/step Wall: 12708.7, 0.00297596/step, 0.638013 hours remaining, 208.746094 MB of memory in use. ENERGY: 4228200 737.4987 2041.5108 1932.8404 116.9315 -206022.7510 17716.0773 0.0000 0.0000 34309.8161 -149168.0763 299.6362 -183477.8924 -149065.8576 299.4281 45.7184 77.8921 557328.4659 7.4549 7.4733 LDB: ============= START OF LOAD BALANCING ============== 12712.3 LDB: ============== END OF LOAD BALANCING =============== 12712.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12712.3 LDB: ============= START OF LOAD BALANCING ============== 12712.6 LDB: Largest compute 4773 load 0.029591 is 25.0% of average load 0.118248 LDB: Average compute 0.001730 is 1.5% of average load 0.118248 LDB: TIME 12712.6 LOAD: AVG 0.118248 MAX 0.206826 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.48 MB LDB: TIME 12712.6 LOAD: AVG 0.118248 MAX 0.206826 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.48 MB LDB: TIME 12712.6 LOAD: AVG 0.118248 MAX 0.206826 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.48 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12712.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12712.6 PRESSURE: 4228400 35.2682 39.3452 88.8474 39.3458 -168.281 -49.2016 88.848 -49.201 -230.422 GPRESSURE: 4228400 108.582 56.604 156.468 3.91313 -173.945 -22.3165 -7.13586 -72.7457 -198.151 PRESSAVG: 4228400 -50.6296 -0.786558 -5.67446 -0.786561 54.0801 28.9405 -5.67444 28.9404 -55.1106 GPRESSAVG: 4228400 -49.7148 -0.54904 -5.18505 -0.425183 54.2686 29.6825 -5.89788 27.912 -56.5526 TIMING: 4228400 CPU: 12709.4, 0.00302708/step Wall: 12709.4, 0.00302708/step, 0.648804 hours remaining, 207.917969 MB of memory in use. ENERGY: 4228400 726.5264 2058.2995 1943.8673 107.1093 -205769.2740 17613.1354 0.0000 0.0000 34182.3316 -149138.0045 298.5228 -183320.3361 -149046.6277 298.7099 -121.1451 -87.8381 558227.8289 -17.2200 -17.3329 PRESSURE: 4228600 -152.467 -31.3863 -9.47771 -31.3861 120.084 -88.0193 -9.47796 -88.0203 19.1429 GPRESSURE: 4228600 -177.846 -75.4732 -14.3504 10.507 213.149 54.5375 -15.3576 -124.779 51.2637 PRESSAVG: 4228600 12.1082 42.8396 23.0118 42.8396 39.8518 -28.0876 23.0117 -28.0876 -26.8102 GPRESSAVG: 4228600 11.3159 42.0977 22.2694 43.8571 41.0382 -27.8068 24.4976 -26.8594 -27.6342 TIMING: 4228600 CPU: 12709.9, 0.00293733/step Wall: 12709.9, 0.00293733/step, 0.629404 hours remaining, 208.121094 MB of memory in use. ENERGY: 4228600 743.4962 2094.4622 1939.3000 103.7300 -206348.0264 17965.3731 0.0000 0.0000 34352.1591 -149149.5058 300.0059 -183501.6650 -149059.5411 299.7199 -4.4133 28.8555 558350.2570 8.3832 8.2400 PRESSURE: 4228800 -127.139 -111.613 -2.21055 -111.611 -412.405 -140.638 -2.21036 -140.638 -140.35 GPRESSURE: 4228800 -75.6367 -145.672 -101.099 -123.337 -434.316 -156.132 39.7732 -186.402 -77.0919 PRESSAVG: 4228800 22.1818 -4.0846 -27.09 -4.08461 46.3613 -5.35469 -27.0898 -5.35475 -71.1018 GPRESSAVG: 4228800 22.2466 -2.09861 -27.9111 -5.39798 44.6758 -5.67854 -27.7843 -5.25842 -70.4696 TIMING: 4228800 CPU: 12710.5, 0.00296836/step Wall: 12710.5, 0.00296836/step, 0.635889 hours remaining, 208.121094 MB of memory in use. ENERGY: 4228800 761.7911 2045.9801 1950.9003 121.2947 -205754.4683 17492.4933 0.0000 0.0000 34090.2158 -149291.7930 297.7183 -183382.0088 -149196.4688 299.5090 -226.6314 -195.6816 558350.0555 -0.8529 -1.1824 PRESSURE: 4229000 24.1125 -25.3651 -9.27351 -25.3631 87.492 -26.5319 -9.27364 -26.5334 -46.1111 GPRESSURE: 4229000 55.2299 -77.3165 8.20396 14.6139 150.939 -82.9621 7.26574 -49.1866 -34.5352 PRESSAVG: 4229000 -5.10929 1.57848 -31.4519 1.5785 -0.527489 -20.1582 -31.452 -20.1581 12.0636 GPRESSAVG: 4229000 -4.74482 -2.53589 -32.3967 2.5742 -0.262031 -20.3051 -30.0061 -22.4345 11.2226 TIMING: 4229000 CPU: 12711.1, 0.00296356/step Wall: 12711.1, 0.00296356/step, 0.634695 hours remaining, 208.121094 MB of memory in use. ENERGY: 4229000 754.5931 2130.9425 1939.0107 108.0724 -206519.4912 18088.6373 0.0000 0.0000 34171.4409 -149326.7944 298.4277 -183498.2353 -149240.1615 299.1588 21.8311 57.2113 557946.6577 2.1423 2.0719 PRESSURE: 4229200 175.635 -37.7576 -116.021 -37.7583 -114.747 3.38305 -116.021 3.38306 -82.2784 GPRESSURE: 4229200 210.448 -80.2393 -72.6188 -22.9268 -117.296 -10.2756 -143.603 53.7585 -12.5574 PRESSAVG: 4229200 34.8401 21.9667 42.8733 21.9668 40.4947 -42.413 42.8733 -42.4129 -37.2105 GPRESSAVG: 4229200 34.5253 23.8926 44.2009 22.1864 40.3856 -42.8396 39.8885 -41.6282 -36.7595 TIMING: 4229200 CPU: 12711.7, 0.00295846/step Wall: 12711.7, 0.00295846/step, 0.633439 hours remaining, 208.121094 MB of memory in use. ENERGY: 4229200 739.0915 2125.9735 1944.4788 103.8218 -206344.9263 17747.9021 0.0000 0.0000 34400.3497 -149283.3089 300.4268 -183683.6586 -149182.1523 299.3338 -7.1302 26.8646 557054.8578 12.7081 12.7171 PRESSURE: 4229400 -323.608 6.63228 118.639 6.63159 -23.2081 -107.228 118.639 -107.227 -38.8672 GPRESSURE: 4229400 -315.154 -14.3696 99.5998 -2.86929 13.2723 -62.5611 117.996 -170.33 15.8766 PRESSAVG: 4229400 11.0985 64.6187 26.2058 64.6187 10.3768 -8.19216 26.2058 -8.19225 13.7121 GPRESSAVG: 4229400 10.5354 65.2798 24.5706 65.717 10.1346 -8.23728 27.7987 -9.62464 14.5233 TIMING: 4229400 CPU: 12712.3, 0.00295824/step Wall: 12712.3, 0.00295824/step, 0.633228 hours remaining, 208.121094 MB of memory in use. ENERGY: 4229400 763.0460 2062.3454 1954.9163 101.7308 -205936.5460 17572.0256 0.0000 0.0000 34159.1450 -149323.3369 298.3203 -183482.4818 -149227.6464 298.8972 -128.5610 -95.3351 557785.0434 11.7292 11.7311 PRESSURE: 4229600 -181.937 61.3935 -47.839 61.3946 89.4269 34.9037 -47.8402 34.9029 -189.79 GPRESSURE: 4229600 -142.95 97.4835 -112.082 71.018 109.948 76.4979 -62.3418 65.2815 -161.375 PRESSAVG: 4229600 40.6676 3.87011 55.156 3.87015 14.2667 -21.8636 55.156 -21.8637 -41.5158 GPRESSAVG: 4229600 42.6499 2.82566 54.8339 3.43347 13.8007 -20.4898 55.4167 -21.5825 -42.9451 TIMING: 4229600 CPU: 12712.9, 0.00294448/step Wall: 12712.9, 0.00294448/step, 0.630119 hours remaining, 208.121094 MB of memory in use. ENERGY: 4229600 748.8801 2134.0737 1946.8365 108.1987 -206395.5729 17779.2981 0.0000 0.0000 34340.1072 -149338.1787 299.9007 -183678.2858 -149246.9780 299.2682 -94.1002 -64.7924 557878.1196 4.4729 4.5018 PRESSURE: 4229800 -45.3195 -47.6269 -64.5447 -47.6274 57.7401 218.017 -64.544 218.017 -180.642 GPRESSURE: 4229800 -20.781 19.0511 -143.279 -35.8955 66.9024 75.1429 -19.809 243.456 -115.616 PRESSAVG: 4229800 62.4972 -24.8661 -16.1222 -24.8661 -10.5912 -23.6303 -16.1222 -23.6303 -21.7472 GPRESSAVG: 4229800 61.4297 -24.295 -15.2524 -24.4827 -10.0018 -27.3974 -15.1623 -20.7895 -20.8661 TIMING: 4229800 CPU: 12713.5, 0.00293202/step Wall: 12713.5, 0.00293202/step, 0.627289 hours remaining, 208.121094 MB of memory in use. ENERGY: 4229800 750.9740 2054.6016 1949.5925 111.7862 -206268.3919 17721.7506 0.0000 0.0000 34143.6658 -149536.0212 298.1851 -183679.6870 -149436.7006 298.5429 -56.0738 -23.1648 557290.6430 10.0529 10.1873 PRESSURE: 4230000 -87.9409 -21.3903 17.484 -21.3909 -86.1075 -90.9418 17.4839 -90.9407 7.6776 GPRESSURE: 4230000 -56.4922 -64.5645 -50.5013 72.3707 -13.7175 -43.8952 25.5403 -52.4766 0.24365 PRESSAVG: 4230000 27.6582 55.1992 34.4343 55.1991 26.9575 16.0567 34.4345 16.0567 -52.1619 GPRESSAVG: 4230000 27.0839 54.7021 34.2535 56.2265 27.8039 16.2527 33.1071 16.4721 -52.4193 TIMING: 4230000 CPU: 12714.1, 0.00296205/step Wall: 12714.1, 0.00296204/step, 0.633548 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: 4230000 770.8138 2082.4123 1902.7591 108.0868 -206117.9302 17594.7774 0.0000 0.0000 34228.1767 -149430.9042 298.9232 -183659.0809 -149336.7732 298.8994 -55.4569 -23.3220 557323.3591 0.8180 0.8229 PRESSURE: 4230200 332.142 -90.9714 80.9415 -90.9722 -180.057 8.47155 80.9417 8.47271 -7.63461 GPRESSURE: 4230200 345.77 -122.087 73.5056 38.625 -137.385 -12.0117 103.998 -7.73784 21.442 PRESSAVG: 4230200 37.7661 1.60207 6.34911 1.60192 63.731 62.8835 6.34912 62.8836 -51.5664 GPRESSAVG: 4230200 38.6317 2.95509 7.73284 -0.600164 62.392 65.4923 5.92948 60.2258 -51.841 TIMING: 4230200 CPU: 12714.7, 0.00295887/step Wall: 12714.7, 0.00295888/step, 0.632706 hours remaining, 208.121094 MB of memory in use. ENERGY: 4230200 747.1667 2080.9794 1954.3124 117.4265 -206374.1205 17807.9118 0.0000 0.0000 34087.4741 -149578.8495 297.6944 -183666.3237 -149496.1650 298.5869 48.1501 76.6088 555668.6965 16.6436 16.3942 PRESSURE: 4230400 -191.229 203.665 100.9 203.665 -36.6155 -1.46285 100.9 -1.46173 -346.168 GPRESSURE: 4230400 -173.217 276.934 10.563 83.9546 8.25581 17.4872 173.124 -38.0848 -320.774 PRESSAVG: 4230400 40.8513 25.4763 59.7184 25.4762 -13.3226 9.81275 59.7184 9.81272 -55.698 GPRESSAVG: 4230400 39.2559 25.3392 59.6325 26.186 -12.8471 10.9506 59.6781 9.82064 -54.5736 TIMING: 4230400 CPU: 12715.3, 0.00297312/step Wall: 12715.3, 0.00297312/step, 0.635587 hours remaining, 208.121094 MB of memory in use. ENERGY: 4230400 755.1594 2106.0223 1930.7913 113.5072 -206206.8364 17661.9001 0.0000 0.0000 33992.9469 -149646.5092 296.8689 -183639.4561 -149549.5199 298.1852 -191.3375 -161.9117 557846.3042 -9.3898 -9.3883 PRESSURE: 4230600 150.53 130.342 -91.6005 130.343 207.658 31.8666 -91.5997 31.8658 264.068 GPRESSURE: 4230600 253.204 194.254 16.004 40.8997 166.661 37.7698 -117.643 22.1215 306.915 PRESSAVG: 4230600 -23.5841 23.3046 -16.4297 23.3046 33.9344 -22.538 -16.4297 -22.538 -39.6412 GPRESSAVG: 4230600 -22.0764 23.5777 -15.8123 23.7829 33.2499 -24.8372 -15.1914 -19.9538 -40.5643 TIMING: 4230600 CPU: 12715.9, 0.00296281/step Wall: 12715.9, 0.00296281/step, 0.633219 hours remaining, 208.121094 MB of memory in use. ENERGY: 4230600 770.6347 2017.0382 1950.2951 109.9112 -206687.2116 18031.5861 0.0000 0.0000 34117.0608 -149690.6855 297.9528 -183807.7463 -149584.1433 297.9479 207.4183 242.2602 553927.7924 -9.7637 -9.7969 PRESSURE: 4230800 -85.9769 111.669 15.7332 111.669 355.385 -89.6486 15.7336 -89.6481 -17.9088 GPRESSURE: 4230800 -51.9108 173.47 -68.6384 33.4562 352.215 -102.991 4.36015 -52.195 47.567 PRESSAVG: 4230800 -29.3496 15.0799 30.056 15.0799 26.5002 -36.7588 30.056 -36.7588 3.0257 GPRESSAVG: 4230800 -29.7722 14.768 27.4732 15.4012 27.0018 -35.4501 28.846 -39.2004 2.13269 TIMING: 4230800 CPU: 12716.5, 0.00298024/step Wall: 12716.5, 0.00298024/step, 0.636779 hours remaining, 208.121094 MB of memory in use. ENERGY: 4230800 784.5109 2100.5969 1935.1569 118.6594 -206584.2481 17954.1382 0.0000 0.0000 34062.0690 -149629.1169 297.4725 -183691.1858 -149520.9208 298.2480 83.8332 115.9571 556063.8598 0.0588 -0.2126 PRESSURE: 4231000 8.21155 -33.6956 71.9605 -33.6952 -51.8227 -78.512 71.9604 -78.5122 -112.647 GPRESSURE: 4231000 13.3044 1.33591 97.0556 -98.7201 -55.216 -63.969 126.188 -111.572 -20.5295 PRESSAVG: 4231000 -35.7571 2.31554 17.787 2.31552 4.45389 -64.0547 17.787 -64.0546 8.49921 GPRESSAVG: 4231000 -36.4181 3.34648 16.1317 1.0455 4.3533 -64.0133 19.7861 -63.2823 9.25701 TIMING: 4231000 CPU: 12717.1, 0.00297662/step Wall: 12717.1, 0.00297662/step, 0.63584 hours remaining, 208.121094 MB of memory in use. ENERGY: 4231000 730.1534 2052.6960 1957.6876 137.4027 -206571.0190 17796.8997 0.0000 0.0000 34221.2830 -149674.8966 298.8630 -183896.1796 -149581.1165 298.3116 -52.0861 -20.8137 557130.0427 -7.6013 -7.6026 PRESSURE: 4231200 -154.218 -31.7892 -112.836 -31.7888 -233.906 -98.1191 -112.835 -98.1183 -91.2619 GPRESSURE: 4231200 -105.927 4.20154 -75.7414 -93.3739 -194.962 46.3571 -159.851 -132.534 -72.527 PRESSAVG: 4231200 16.8361 -65.4115 -37.1594 -65.4115 -29.0633 -46.0445 -37.1594 -46.0445 31.6124 GPRESSAVG: 4231200 17.2709 -64.5799 -35.4189 -64.6616 -28.5972 -43.5026 -41.4618 -48.5581 30.8644 TIMING: 4231200 CPU: 12717.6, 0.00295749/step Wall: 12717.6, 0.00295749/step, 0.631588 hours remaining, 208.121094 MB of memory in use. ENERGY: 4231200 767.1737 2125.5312 1948.7448 110.5103 -206126.9531 17587.7760 0.0000 0.0000 34108.3901 -149478.8269 297.8771 -183587.2170 -149383.6574 298.7307 -159.7951 -124.4720 556578.9145 6.4617 6.5127 PRESSURE: 4231400 188.669 74.2926 -173.929 74.2926 -8.4684 147.326 -173.929 147.325 187.264 GPRESSURE: 4231400 306.269 47.3516 -158.539 -14.1705 -60.2924 63.9859 -162.073 146.419 211.884 PRESSAVG: 4231400 45.145 -2.33771 -42.1803 -2.33762 -37.1273 -6.69207 -42.1803 -6.69202 31.2231 GPRESSAVG: 4231400 45.6547 -5.84253 -41.0452 -1.9838 -37.9104 -10.7711 -40.7556 -2.94819 31.8011 TIMING: 4231400 CPU: 12718.2, 0.00296746/step Wall: 12718.2, 0.00296746/step, 0.633553 hours remaining, 208.121094 MB of memory in use. ENERGY: 4231400 710.1478 2057.0778 1946.4795 103.2104 -206523.5310 18058.0284 0.0000 0.0000 34180.6253 -149467.9618 298.5079 -183648.5871 -149376.1128 298.3140 122.4881 152.6201 557930.3390 13.0802 13.1818 PRESSURE: 4231600 49.1049 -9.35736 111.137 -9.35768 -272.415 -20.0697 111.139 -20.071 -403.388 GPRESSURE: 4231600 66.7399 54.4485 103.031 2.95637 -252.99 43.6572 138.342 -44.1207 -323.203 PRESSAVG: 4231600 28.8493 29.6917 -3.0425 29.6917 -22.4116 12.0645 -3.04241 12.0646 9.56479 GPRESSAVG: 4231600 28.2971 32.8392 -4.03829 28.8913 -21.8835 13.9712 -2.65453 10.991 9.0196 TIMING: 4231600 CPU: 12718.8, 0.00295699/step Wall: 12718.8, 0.00295699/step, 0.631153 hours remaining, 208.121094 MB of memory in use. ENERGY: 4231600 752.8745 2063.1814 1969.0020 104.1200 -206232.1224 17799.5808 0.0000 0.0000 34234.9606 -149308.4030 298.9824 -183543.3636 -149215.1287 298.7961 -208.8992 -169.8178 558933.0038 5.3342 5.1444 PRESSURE: 4231800 186.351 -47.4252 70.9997 -47.4259 100.241 156.495 71.0006 156.494 19.1255 GPRESSURE: 4231800 174.774 19.3617 34.6136 -46.752 191.263 138.529 55.2421 169.485 46.1017 PRESSAVG: 4231800 -15.0534 -29.3668 -0.402776 -29.3669 -58.5693 31.3531 -0.402782 31.3531 30.1388 GPRESSAVG: 4231800 -15.8477 -30.3707 0.00377765 -28.2375 -57.6848 31.008 1.47789 30.4898 30.1747 TIMING: 4231800 CPU: 12719.4, 0.00297679/step Wall: 12719.4, 0.00297679/step, 0.635213 hours remaining, 208.121094 MB of memory in use. ENERGY: 4231800 718.7360 2062.5583 1929.0453 111.3086 -206007.6778 17769.8859 0.0000 0.0000 34209.7982 -149206.3456 298.7627 -183416.1438 -149107.0880 298.7083 101.9057 137.3795 556489.7750 -14.4946 -14.4526 PRESSURE: 4232000 -308.597 99.1043 85.6398 99.1033 108.677 29.3562 85.6401 29.3577 30.3753 GPRESSURE: 4232000 -244.318 1.96906 -37.4148 111.004 155.948 1.29353 139.709 24.0196 6.63635 PRESSAVG: 4232000 35.675 5.19051 24.8683 5.19058 43.8407 1.6649 24.8683 1.66499 -30.5562 GPRESSAVG: 4232000 35.2873 1.88198 24.2817 4.75467 43.4576 2.72266 23.5921 2.51495 -30.7791 TIMING: 4232000 CPU: 12720, 0.00300714/step Wall: 12720, 0.00300714/step, 0.641523 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: 4232000 776.4428 2077.0501 1960.8131 113.4409 -206149.4201 17776.7343 0.0000 0.0000 34184.4143 -149260.5246 298.5410 -183444.9389 -149163.9786 299.0842 -56.5149 -27.2444 556602.3500 16.3198 15.9886 PRESSURE: 4232200 206.491 34.5321 -147.986 34.5322 -285.5 -31.5471 -147.985 -31.546 -98.2583 GPRESSURE: 4232200 261.971 69.25 -104.749 71.8151 -228.954 -99.9353 -110.493 -50.1625 -111.687 PRESSAVG: 4232200 11.9794 -18.1619 -28.7817 -18.162 -5.57799 -24.0026 -28.7816 -24.0025 2.56472 GPRESSAVG: 4232200 13.3154 -16.5336 -30.187 -17.2645 -5.90194 -26.339 -28.6849 -24.6901 1.80811 TIMING: 4232200 CPU: 12720.6, 0.00300132/step Wall: 12720.6, 0.00300132/step, 0.640115 hours remaining, 208.121094 MB of memory in use. ENERGY: 4232200 743.1717 2104.7491 1929.6514 114.1441 -206223.0646 17703.0618 0.0000 0.0000 34142.3205 -149485.9660 298.1734 -183628.2865 -149391.5481 298.9111 -59.0893 -26.2233 556162.7776 2.9887 3.0739 LDB: ============= START OF LOAD BALANCING ============== 12724.1 LDB: ============== END OF LOAD BALANCING =============== 12724.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12724.1 LDB: ============= START OF LOAD BALANCING ============== 12724.4 LDB: Largest compute 4773 load 0.027048 is 22.9% of average load 0.118200 LDB: Average compute 0.001722 is 1.5% of average load 0.118200 LDB: TIME 12724.4 LOAD: AVG 0.1182 MAX 0.206885 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.48 MB LDB: TIME 12724.4 LOAD: AVG 0.1182 MAX 0.206885 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.684 MB LDB: TIME 12724.4 LOAD: AVG 0.1182 MAX 0.206885 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.684 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12724.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12724.4 PRESSURE: 4232400 205.124 -21.4212 -79.9933 -21.4188 229.205 -61.8067 -79.994 -61.8066 336.453 GPRESSURE: 4232400 202.686 -150.48 2.06863 69.0192 251.7 -15.6896 -13.2009 19.6018 409.386 PRESSAVG: 4232400 -17.0571 9.59388 -25.3809 9.59394 -30.7189 -27.5204 -25.3808 -27.5205 10.326 GPRESSAVG: 4232400 -18.9154 11.0101 -21.401 9.63837 -31.844 -26.451 -26.9716 -27.4026 13.2435 TIMING: 4232400 CPU: 12721.2, 0.00304841/step Wall: 12721.2, 0.00304841/step, 0.649989 hours remaining, 209.968750 MB of memory in use. ENERGY: 4232400 704.8721 2124.6003 1929.0535 102.8266 -206672.7991 18252.4465 0.0000 0.0000 34240.3385 -149318.6616 299.0294 -183559.0001 -149222.5484 298.4810 256.9276 287.9240 555568.6529 -12.4833 -12.5053 PRESSURE: 4232600 62.5485 -3.43261 74.7894 -3.43368 -350.56 47.9312 74.7896 47.9308 -62.3845 GPRESSURE: 4232600 68.4448 40.672 24.5288 -100.31 -303.424 82.7674 54.8668 -3.82817 -19.7386 PRESSAVG: 4232600 11.5914 42.4023 7.75195 42.4023 23.6465 -31.942 7.7519 -31.942 -11.5571 GPRESSAVG: 4232600 12.6609 42.4581 5.82117 42.465 24.9669 -32.7513 7.91417 -31.1831 -14.3974 TIMING: 4232600 CPU: 12721.8, 0.00298604/step Wall: 12721.8, 0.00298604/step, 0.636525 hours remaining, 210.429688 MB of memory in use. ENERGY: 4232600 722.6317 2025.4583 1940.7811 112.5102 -206010.5918 17577.2642 0.0000 0.0000 34176.5957 -149455.3507 298.4727 -183631.9464 -149354.8609 298.9933 -116.7987 -84.9059 558260.7560 7.8936 7.7435 PRESSURE: 4232800 69.2157 -28.5532 -13.8317 -28.5521 -35.4301 -49.7736 -13.8319 -49.7736 -106.633 GPRESSURE: 4232800 142.664 -9.15859 -65.3483 -51.3396 1.48656 -199.715 17.5054 73.54 -132.292 PRESSAVG: 4232800 57.1487 -8.30975 -7.8403 -8.3098 -57.8457 1.22578 -7.84032 1.22577 -31.2267 GPRESSAVG: 4232800 56.9648 -8.74361 -4.71962 -8.29788 -57.913 0.444979 -9.67588 2.64582 -30.8784 TIMING: 4232800 CPU: 12722.4, 0.00301528/step Wall: 12722.4, 0.00301528/step, 0.642589 hours remaining, 210.429688 MB of memory in use. ENERGY: 4232800 759.1391 2074.2598 1916.5128 106.2005 -206167.2806 17684.7266 0.0000 0.0000 34395.6196 -149230.8222 300.3855 -183626.4419 -149136.4367 298.2163 -24.2826 3.9529 558943.6056 -10.6412 -10.6089 PRESSURE: 4233000 -202.211 106.832 -41.6218 106.832 176.815 -25.1725 -41.6223 -25.1708 -62.7485 GPRESSURE: 4233000 -155.594 177.574 -129.507 117.707 127.475 77.5819 4.52927 -17.2813 38.2667 PRESSAVG: 4233000 3.48197 35.047 -36.4623 35.047 -1.64705 15.5206 -36.4623 15.5205 -6.53709 GPRESSAVG: 4233000 5.34506 36.222 -40.786 33.8948 -3.24432 17.5975 -32.1957 14.3995 -6.47401 TIMING: 4233000 CPU: 12723, 0.00300566/step Wall: 12723, 0.00300566/step, 0.640373 hours remaining, 210.429688 MB of memory in use. ENERGY: 4233000 710.5397 2072.3125 1954.6455 112.7296 -206319.6890 17874.9048 0.0000 0.0000 34258.5291 -149336.0278 299.1883 -183594.5569 -149243.5186 298.7336 -29.3814 3.3824 558645.6067 -1.5674 -1.4578 PRESSURE: 4233200 -57.6463 -188.674 -73.8661 -188.674 -108.168 49.0585 -73.8666 49.0558 -280.328 GPRESSURE: 4233200 -27.8149 -131.683 -142.415 -288.049 -93.4088 75.5246 13.3393 41.3528 -232.157 PRESSAVG: 4233200 15.408 -42.0501 11.443 -42.0501 28.5999 -21.4494 11.4429 -21.4495 -5.46212 GPRESSAVG: 4233200 12.853 -41.332 13.0961 -42.5199 28.9872 -20.2209 7.5287 -22.6117 -3.48415 TIMING: 4233200 CPU: 12723.6, 0.00297691/step Wall: 12723.6, 0.00297691/step, 0.634083 hours remaining, 210.429688 MB of memory in use. ENERGY: 4233200 762.0910 2034.7059 1946.4277 110.8210 -205984.7016 17695.7594 0.0000 0.0000 34219.0760 -149215.8207 298.8437 -183434.8966 -149121.7468 299.7403 -148.7141 -117.7937 558698.3601 12.8486 12.7853 PRESSURE: 4233400 -167.007 112.121 43.4959 112.122 -94.9677 41.4677 43.497 41.4685 111.333 GPRESSURE: 4233400 -141.16 151.062 4.00361 94.1765 -35.6691 40.5099 8.54419 8.48642 124.494 PRESSAVG: 4233400 -77.4736 -50.3194 10.5883 -50.3194 63.7711 3.77675 10.5884 3.77687 4.66279 GPRESSAVG: 4233400 -76.4231 -50.7254 11.1844 -48.9663 64.7718 -0.188678 11.9059 3.80299 2.29164 TIMING: 4233400 CPU: 12724.2, 0.00291874/step Wall: 12724.2, 0.00291874/step, 0.62153 hours remaining, 210.429688 MB of memory in use. ENERGY: 4233400 747.7555 2118.9885 1948.1463 121.5850 -206378.5463 17868.9483 0.0000 0.0000 34367.4540 -149205.6688 300.1395 -183573.1227 -149113.6377 298.8783 -50.2138 -17.4453 557431.3051 -3.0132 -3.1199 PRESSURE: 4233600 71.0518 -30.0745 -13.4831 -30.0741 -208.365 -193.054 -13.4836 -193.055 39.0063 GPRESSURE: 4233600 61.8083 -17.497 -27.9966 103.2 -114.036 -153.992 -78.8523 -222.308 62.4267 PRESSAVG: 4233600 -25.7227 15.2903 56.6052 15.2902 96.9324 -43.1088 56.6053 -43.1086 -27.1733 GPRESSAVG: 4233600 -24.7245 15.3992 55.5953 15.506 95.7985 -40.7043 55.8878 -42.7854 -26.5688 TIMING: 4233600 CPU: 12724.8, 0.00294481/step Wall: 12724.8, 0.00294481/step, 0.626918 hours remaining, 210.429688 MB of memory in use. ENERGY: 4233600 738.1242 2030.8541 1930.9645 108.7491 -206045.9431 17604.6562 0.0000 0.0000 34238.2902 -149394.3047 299.0115 -183632.5949 -149299.5786 299.3733 -32.7690 3.3995 555543.6154 14.6788 14.8350 PRESSURE: 4233800 -49.4865 -151.48 -28.7512 -151.48 -238.101 -111.335 -28.7517 -111.334 -52.5993 GPRESSURE: 4233800 -14.0838 -99.8307 -65.6761 -86.9647 -185.682 -77.0611 44.8588 -135.421 -49.649 PRESSAVG: 4233800 27.358 54.3751 -44.5609 54.375 10.9274 -2.30898 -44.5609 -2.3089 -46.1056 GPRESSAVG: 4233800 27.2307 54.7042 -43.2593 53.1877 11.7896 -2.36062 -43.1987 -2.24296 -46.5114 TIMING: 4233800 CPU: 12725.4, 0.00295884/step Wall: 12725.4, 0.00295884/step, 0.62974 hours remaining, 210.429688 MB of memory in use. ENERGY: 4233800 715.8900 2129.3909 1927.6878 117.5145 -205857.4610 17560.5500 0.0000 0.0000 34115.9958 -149290.4320 297.9435 -183406.4278 -149205.9279 299.5763 -113.3956 -83.1382 557105.5831 -2.6067 -2.4971 PRESSURE: 4234000 -182.283 -163.407 -16.1115 -163.407 -218.645 30.8344 -16.1112 30.8341 -256.741 GPRESSURE: 4234000 -176.946 -153.186 22.4391 -208.167 -197.228 0.135173 -78.015 -63.7024 -196.059 PRESSAVG: 4234000 -40.5537 10.0516 -17.8277 10.0515 81.7619 -2.12011 -17.8276 -2.12021 19.1586 GPRESSAVG: 4234000 -41.6366 9.51228 -18.1567 10.4553 82.3911 -2.96698 -17.9233 -2.79318 19.9247 TIMING: 4234000 CPU: 12726, 0.0029735/step Wall: 12726, 0.0029735/step, 0.632694 hours remaining, 210.429688 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: 4234000 749.5124 2078.1901 1945.4027 116.7167 -206094.0868 17647.3071 0.0000 0.0000 34262.3940 -149294.5637 299.2220 -183556.9577 -149204.4063 299.3455 -219.2229 -190.0776 557472.7850 20.1222 20.2264 PRESSURE: 4234200 7.14213 -84.1809 95.2442 -84.1815 -96.0468 -70.9853 95.2444 -70.986 -283.707 GPRESSURE: 4234200 15.106 -4.68739 66.2223 -81.9572 -28.5145 -163.105 106.151 -29.873 -265.211 PRESSAVG: 4234200 -47.2753 -43.4884 -20.6831 -43.4884 -4.66039 67.9676 -20.6832 67.9675 18.926 GPRESSAVG: 4234200 -47.4048 -43.7737 -22.6572 -43.8342 -3.81921 68.7547 -20.4285 68.8795 17.7492 TIMING: 4234200 CPU: 12726.6, 0.0029584/step Wall: 12726.6, 0.0029584/step, 0.629317 hours remaining, 210.429688 MB of memory in use. ENERGY: 4234200 744.0394 2060.8259 1970.4385 116.0126 -205968.6453 17665.5390 0.0000 0.0000 34053.7669 -149358.0230 297.4000 -183411.7899 -149259.3889 299.0912 -124.2040 -92.8733 557953.7792 -11.0032 -11.1583 PRESSURE: 4234400 20.8575 -18.263 155.398 -18.2619 145.066 -9.1364 155.398 -9.13726 149.472 GPRESSURE: 4234400 61.8196 -13.0208 197.521 -9.23245 166.355 -94.3453 201.439 6.44024 171.557 PRESSAVG: 4234400 -41.5886 -54.8186 34.2352 -54.8185 82.9044 20.9804 34.2353 20.9804 -41.8529 GPRESSAVG: 4234400 -42.2815 -53.6906 35.5623 -55.6939 82.4142 19.7293 33.2445 22.8563 -40.7113 TIMING: 4234400 CPU: 12727.2, 0.00294042/step Wall: 12727.2, 0.00294042/step, 0.625329 hours remaining, 210.429688 MB of memory in use. ENERGY: 4234400 743.4888 2135.9491 1961.4346 128.7585 -206562.2837 17921.7109 0.0000 0.0000 34328.6317 -149342.3101 299.8005 -183670.9418 -149247.9283 299.0933 105.1319 133.2438 555828.1442 -0.1790 -0.1929 PRESSURE: 4234600 30.443 -122.297 65.5083 -122.297 251.918 67.3306 65.5087 67.3317 67.894 GPRESSURE: 4234600 56.5631 -169.579 47.975 -134.233 270.748 -29.7621 32.8717 34.555 120.432 PRESSAVG: 4234600 -13.4073 19.2694 16.3591 19.2694 50.9156 -19.4956 16.3591 -19.4955 -74.3398 GPRESSAVG: 4234600 -12.2875 18.9514 16.0596 21.2957 50.6227 -16.3277 17.1039 -21.8493 -74.1518 TIMING: 4234600 CPU: 12727.8, 0.00296976/step Wall: 12727.8, 0.00296976/step, 0.631404 hours remaining, 210.429688 MB of memory in use. ENERGY: 4234600 750.3718 2046.7285 1976.4635 104.2243 -206541.0883 18098.3216 0.0000 0.0000 34112.4112 -149452.5674 297.9122 -183564.9786 -149350.7776 298.7439 116.7516 149.2479 557708.6804 -12.2772 -11.9389 PRESSURE: 4234800 368.094 70.9032 -13.6145 70.9038 31.4851 34.1422 -13.6161 34.142 116.562 GPRESSURE: 4234800 352.868 21.895 -6.81045 64.5861 98.5091 -133.992 36.9589 69.2502 160.445 PRESSAVG: 4234800 -23.4591 7.05874 38.4855 7.05877 7.53093 -3.2512 38.4854 -3.25117 -11.1515 GPRESSAVG: 4234800 -23.1047 7.02191 37.2659 6.6293 7.14828 -5.55816 37.7608 -3.17202 -11.1421 TIMING: 4234800 CPU: 12728.4, 0.00298503/step Wall: 12728.4, 0.00298503/step, 0.634485 hours remaining, 210.695312 MB of memory in use. ENERGY: 4234800 712.5303 2095.1842 1967.6843 118.1774 -206913.5146 18129.7844 0.0000 0.0000 34419.9654 -149470.1885 300.5981 -183890.1539 -149377.6560 298.4340 172.0473 203.9407 555485.4369 -9.0265 -9.0328 PRESSURE: 4235000 29.1671 129.086 -85.4385 129.086 74.6062 -196.382 -85.4388 -196.382 -21.7232 GPRESSURE: 4235000 11.0153 144.239 -54.4109 165.359 139.117 -169.807 -25.1927 -144.846 32.0816 PRESSAVG: 4235000 7.85098 40.9762 -15.0695 40.9762 37.3951 -27.7644 -15.0694 -27.7645 17.2517 GPRESSAVG: 4235000 7.9074 39.6737 -14.4525 40.682 37.7443 -28.0655 -13.9269 -26.3413 17.1928 TIMING: 4235000 CPU: 12729, 0.00300122/step Wall: 12729, 0.00300122/step, 0.63776 hours remaining, 210.695312 MB of memory in use. ENERGY: 4235000 747.9843 2065.9644 1925.4755 113.3240 -206218.5081 17846.9662 0.0000 0.0000 34113.8784 -149404.9152 297.9250 -183518.7936 -149309.0114 299.0331 27.3500 60.7380 556379.8556 20.8326 20.9482 PRESSURE: 4235200 -243.299 -180.083 -118.255 -180.083 -73.6303 -37.552 -118.254 -37.5525 -141.09 GPRESSURE: 4235200 -223.525 -170.545 -190.515 -193.862 -55.3373 43.016 -106.063 -104.903 -81.0758 PRESSAVG: 4235200 38.5666 -4.84979 -48.6949 -4.84977 -28.1458 -51.5351 -48.6949 -51.535 -36.0445 GPRESSAVG: 4235200 38.6816 -4.19401 -47.7168 -3.328 -28.2743 -49.6652 -47.7703 -50.7671 -36.0311 TIMING: 4235200 CPU: 12729.6, 0.00298775/step Wall: 12729.6, 0.00298775/step, 0.63473 hours remaining, 210.695312 MB of memory in use. ENERGY: 4235200 739.6944 2078.6755 1941.1883 112.1647 -205934.8888 17505.4281 0.0000 0.0000 34318.8635 -149238.8742 299.7152 -183557.7377 -149143.2064 299.2935 -152.6731 -119.9795 556517.1646 -8.5412 -8.5413 PRESSURE: 4235400 136.683 -77.2644 108.482 -77.2643 5.12239 -192.194 108.481 -192.193 -218.667 GPRESSURE: 4235400 82.2518 -127.596 -27.7124 -43.0512 78.5385 -266.072 44.8753 -133.026 -145.897 PRESSAVG: 4235400 31.8501 13.2018 -24.3425 13.2019 -0.976233 3.29902 -24.3425 3.29906 -21.8765 GPRESSAVG: 4235400 31.5065 14.0091 -26.7765 12.2326 -0.653228 1.7186 -25.6173 1.73333 -21.0953 TIMING: 4235400 CPU: 12730.2, 0.00299896/step Wall: 12730.2, 0.00299896/step, 0.636946 hours remaining, 210.695312 MB of memory in use. ENERGY: 4235400 744.6896 1981.9672 1923.5597 99.2795 -205950.7794 17718.2260 0.0000 0.0000 34329.4736 -149153.5838 299.8078 -183483.0575 -149050.8130 299.4077 -25.6205 4.9645 556429.8272 2.9991 3.2527 PRESSURE: 4235600 275.502 1.61762 -98.8373 1.61667 164.508 -13.9748 -98.8362 -13.9752 118.068 GPRESSURE: 4235600 278.087 3.12206 -97.5281 -56.6166 216.038 59.8714 10.9874 20.7348 156.514 PRESSAVG: 4235600 -31.118 5.58763 -1.51932 5.58757 20.6398 -25.8531 -1.51929 -25.8531 -31.6475 GPRESSAVG: 4235600 -30.983 5.33164 -0.616401 5.16103 21.5732 -25.725 0.338184 -23.8775 -32.3234 TIMING: 4235600 CPU: 12730.8, 0.00300241/step Wall: 12730.8, 0.00300241/step, 0.637511 hours remaining, 210.695312 MB of memory in use. ENERGY: 4235600 707.6754 2095.3516 1946.7424 121.0068 -206170.3073 17957.6758 0.0000 0.0000 34363.3733 -148978.4820 300.1039 -183341.8553 -148890.8115 299.2062 186.0263 216.8799 557621.8702 -14.0419 -13.9110 PRESSURE: 4235800 6.11147 146.323 -71.8669 146.323 49.9006 -183.888 -71.8667 -183.888 250.345 GPRESSURE: 4235800 48.3523 142.811 -133.146 114.08 76.6172 -117.148 -70.0525 -270.077 287.768 PRESSAVG: 4235800 -27.4791 -27.854 -1.00454 -27.8541 45.5882 -6.15067 -1.00455 -6.15062 -49.0416 GPRESSAVG: 4235800 -26.8888 -27.76 -0.673313 -27.5772 44.0484 -6.71224 -1.93839 -7.83708 -48.4777 TIMING: 4235800 CPU: 12731.4, 0.00299722/step Wall: 12731.4, 0.00299722/step, 0.636243 hours remaining, 210.695312 MB of memory in use. ENERGY: 4235800 742.0363 2040.7700 1945.8578 122.3751 -205932.4859 17876.4053 0.0000 0.0000 34364.3428 -148840.6987 300.1124 -183205.0415 -148746.9576 299.8318 102.1190 137.5793 558001.1475 -10.3108 -10.4394 PRESSURE: 4236000 -47.2323 -36.2984 12.8315 -36.299 -104.988 -26.3158 12.831 -26.3149 -95.7593 GPRESSURE: 4236000 -10.0446 -105.776 96.1502 -46.0504 -52.3567 -152.561 11.5915 101.893 -86.6332 PRESSAVG: 4236000 -1.55578 40.5958 66.3332 40.5958 61.4575 -21.6622 66.3331 -21.6621 -4.8948 GPRESSAVG: 4236000 -0.423723 40.0515 66.9393 41.944 61.9422 -22.3186 65.6849 -19.3506 -6.04485 TIMING: 4236000 CPU: 12732, 0.00299388/step Wall: 12732, 0.00299388/step, 0.635367 hours remaining, 210.695312 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: 4236000 763.0692 2047.8942 1921.0029 117.4692 -205859.2167 17583.0342 0.0000 0.0000 34561.6541 -148865.0929 301.8355 -183426.7470 -148762.6628 300.6231 -82.6600 -49.6782 557806.6844 18.3356 18.4912 PRESSURE: 4236200 -58.1005 -99.4197 -59.6313 -99.4203 70.8329 -104.64 -59.6316 -104.639 -134.487 GPRESSURE: 4236200 14.4995 -122.282 -123.185 -107.307 33.5123 -67.2675 -130.32 -152.65 -67.3584 PRESSAVG: 4236200 -10.9614 -39.8005 16.2648 -39.8004 29.2839 -46.8959 16.2648 -46.8959 -5.23613 GPRESSAVG: 4236200 -11.4782 -38.6355 16.6462 -41.5058 28.6666 -45.25 16.7017 -47.8038 -3.50345 TIMING: 4236200 CPU: 12732.6, 0.00298381/step Wall: 12732.6, 0.00298381/step, 0.633065 hours remaining, 210.695312 MB of memory in use. ENERGY: 4236200 756.4719 2065.0734 1966.4705 111.7608 -205966.2019 17805.8107 0.0000 0.0000 34289.0736 -148971.5410 299.4550 -183260.6146 -148868.0540 300.0894 -40.5848 -6.4489 557985.4641 4.3621 4.5617 LDB: ============= START OF LOAD BALANCING ============== 12736.1 LDB: ============== END OF LOAD BALANCING =============== 12736.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12736.1 LDB: ============= START OF LOAD BALANCING ============== 12736.4 LDB: Largest compute 4773 load 0.027525 is 23.3% of average load 0.118179 LDB: Average compute 0.001737 is 1.5% of average load 0.118179 LDB: TIME 12736.4 LOAD: AVG 0.118179 MAX 0.20303 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.441 MB LDB: TIME 12736.4 LOAD: AVG 0.118179 MAX 0.20303 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.516 MB LDB: TIME 12736.4 LOAD: AVG 0.118179 MAX 0.20303 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.516 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12736.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12736.4 PRESSURE: 4236400 -163.697 -69.5977 27.8331 -69.5975 -180.208 142.817 27.8326 142.818 -440.163 GPRESSURE: 4236400 -153.808 -16.6692 102.767 -60.6952 -145.721 46.6737 -34.741 150.221 -398.227 PRESSAVG: 4236400 69.406 -20.1834 -5.65728 -20.1834 -34.1649 2.27163 -5.65733 2.27163 -70.5427 GPRESSAVG: 4236400 70.0088 -18.1936 -5.09574 -20.6167 -33.3163 0.0399446 -8.20339 2.47266 -72.0476 TIMING: 4236400 CPU: 12733.2, 0.00303142/step Wall: 12733.2, 0.00303142/step, 0.642999 hours remaining, 210.250000 MB of memory in use. ENERGY: 4236400 765.7468 2085.9597 1939.5969 123.8801 -205869.1450 17638.0460 0.0000 0.0000 34176.8933 -149139.0222 298.4753 -183315.9154 -149038.4223 299.4747 -261.3558 -232.5856 559700.4597 -11.7672 -11.7850 PRESSURE: 4236600 71.9296 285.086 14.4732 285.086 -27.2587 87.2815 14.4728 87.2826 -85.3381 GPRESSURE: 4236600 97.6897 289.855 50.7279 257.926 55.7609 136.743 -6.57738 137.417 -94.2072 PRESSAVG: 4236600 30.551 0.920272 -43.9864 0.920178 -14.0667 46.9673 -43.9865 46.9672 -17.9522 GPRESSAVG: 4236600 29.8113 -1.73634 -46.0606 1.41515 -14.6133 47.7286 -39.7492 47.4206 -17.3919 TIMING: 4236600 CPU: 12733.8, 0.00298342/step Wall: 12733.8, 0.00298342/step, 0.63265 hours remaining, 210.453125 MB of memory in use. ENERGY: 4236600 731.5851 2043.9824 1966.5499 109.2979 -206088.2428 17832.9831 0.0000 0.0000 34079.0865 -149324.7580 297.6211 -183403.8445 -149221.4641 298.9421 -13.5558 19.7478 557020.6654 -0.4893 -0.7313 PRESSURE: 4236800 -95.9883 33.2442 -73.1441 33.2445 -247.324 35.6519 -73.1458 35.6511 -26.8735 GPRESSURE: 4236800 -57.2873 27.7405 -114.012 14.2685 -247.798 -48.3858 -17.4987 -13.9235 23.3181 PRESSAVG: 4236800 74.4597 -35.6194 -19.4174 -35.6194 -35.904 61.0018 -19.4175 61.0018 -38.1504 GPRESSAVG: 4236800 74.8589 -35.6423 -19.9851 -35.4892 -35.9936 63.5169 -21.0547 59.4324 -38.1739 TIMING: 4236800 CPU: 12734.4, 0.00297226/step Wall: 12734.4, 0.00297226/step, 0.630118 hours remaining, 210.453125 MB of memory in use. ENERGY: 4236800 734.1111 2100.7438 1925.4904 110.7959 -205976.8867 17746.2031 0.0000 0.0000 34157.0351 -149202.5073 298.3019 -183359.5424 -149103.5940 299.1794 -123.3954 -93.9224 558882.0325 0.1351 0.2305 PRESSURE: 4237000 130.327 -9.66011 91.5796 -9.65975 115.697 -149.974 91.5781 -149.974 -107.681 GPRESSURE: 4237000 152.32 -116.333 86.1187 1.95451 118.745 -115.855 92.4214 -89.0809 -35.8617 PRESSAVG: 4237000 36.4282 -21.2284 -8.36897 -21.2283 7.63724 37.571 -8.36899 37.571 -30.31 GPRESSAVG: 4237000 35.8932 -20.8379 -6.31575 -21.7395 7.89722 35.5375 -10.1175 38.1872 -30.2893 TIMING: 4237000 CPU: 12734.9, 0.00296532/step Wall: 12734.9, 0.00296532/step, 0.628484 hours remaining, 210.453125 MB of memory in use. ENERGY: 4237000 734.5982 2078.3769 1932.8535 110.5742 -206522.2935 17963.6573 0.0000 0.0000 34401.9949 -149300.2384 300.4412 -183702.2333 -149197.0004 298.9776 46.1146 78.4010 560026.7849 4.5852 4.5004 PRESSURE: 4237200 4.08439 76.0357 -63.2291 76.0343 -120.61 -24.7034 -63.2287 -24.703 65.185 GPRESSURE: 4237200 78.5458 132.085 -152.019 75.1917 -146.803 19.7222 16.8843 -57.5714 100.507 PRESSAVG: 4237200 14.9009 32.5116 -59.9397 32.5115 37.2824 16.6247 -59.9398 16.6246 -17.4729 GPRESSAVG: 4237200 15.3149 31.4946 -62.4563 34.8278 37.2093 16.6899 -58.3293 16.1741 -16.6867 TIMING: 4237200 CPU: 12735.5, 0.00295349/step Wall: 12735.5, 0.00295349/step, 0.625812 hours remaining, 210.453125 MB of memory in use. ENERGY: 4237200 769.4936 2061.0197 1929.7482 112.9049 -206659.7802 18210.7161 0.0000 0.0000 34266.7850 -149309.1127 299.2604 -183575.8977 -149209.7691 299.1016 -17.1137 10.7499 560328.6657 11.5701 11.9458 PRESSURE: 4237400 -215.127 -31.523 -53.2993 -31.5224 -369.482 139.714 -53.2986 139.715 -317.434 GPRESSURE: 4237400 -172.136 -16.1052 -63.8701 -130.898 -317.146 77.1702 -65.744 134.585 -316.302 PRESSAVG: 4237400 27.7464 -23.2802 -15.8028 -23.2802 -64.2389 29.2592 -15.8027 29.2592 27.281 GPRESSAVG: 4237400 27.7009 -21.3358 -13.6966 -25.2239 -62.5819 30.0002 -16.7514 28.192 25.9766 TIMING: 4237400 CPU: 12736.1, 0.00295686/step Wall: 12736.1, 0.00295686/step, 0.626361 hours remaining, 210.453125 MB of memory in use. ENERGY: 4237400 754.2627 2044.0153 1938.1291 114.1685 -205960.4176 17592.6251 0.0000 0.0000 34346.2760 -149170.9410 299.9546 -183517.2170 -149078.7948 299.2305 -300.6809 -268.5280 559697.3908 -3.0705 -2.9681 PRESSURE: 4237600 208.976 47.2896 -104.806 47.2902 210.248 -142.464 -104.805 -142.466 95.8607 GPRESSURE: 4237600 233.566 -12.4329 -151.484 44.2267 197.779 -69.0695 -45.8559 -218.605 183.578 PRESSAVG: 4237600 62.8352 -7.16155 -31.4162 -7.16157 -43.6564 15.0859 -31.4162 15.0858 30.6061 GPRESSAVG: 4237600 63.4789 -6.71286 -33.9015 -9.41949 -44.8904 14.0391 -28.2899 17.689 31.9754 TIMING: 4237600 CPU: 12736.7, 0.0029391/step Wall: 12736.7, 0.0029391/step, 0.622435 hours remaining, 210.453125 MB of memory in use. ENERGY: 4237600 760.7050 2090.5321 1957.8696 123.3179 -206608.9877 18177.3783 0.0000 0.0000 34325.7122 -149173.4726 299.7750 -183499.1848 -149072.8636 299.7668 171.6948 204.9746 557993.6438 16.5950 16.8546 PRESSURE: 4237800 135.738 -128.694 99.9753 -128.695 -137.596 -33.7891 99.975 -33.7888 19.641 GPRESSURE: 4237800 134.614 -119.093 82.0717 -75.1457 -107.064 -21.2837 20.9073 -64.0991 89.6259 PRESSAVG: 4237800 19.3856 -46.3502 18.4663 -46.3502 -7.43386 -10.0508 18.4663 -10.0507 -6.14334 GPRESSAVG: 4237800 18.4143 -47.5178 20.2356 -43.9606 -6.29266 -7.94528 15.0399 -13.3534 -5.837 TIMING: 4237800 CPU: 12737.3, 0.00294551/step Wall: 12737.3, 0.00294551/step, 0.62363 hours remaining, 210.453125 MB of memory in use. ENERGY: 4237800 746.0460 2128.2309 1976.6369 111.0164 -206220.2653 17773.0565 0.0000 0.0000 34197.1788 -149288.0998 298.6525 -183485.2786 -149189.6530 299.4436 5.9278 39.0586 555882.0001 1.9361 2.0949 PRESSURE: 4238000 -295.222 45.1326 79.5078 45.1333 -239.065 88.5691 79.5078 88.5693 -49.5795 GPRESSURE: 4238000 -295.015 60.8872 180.876 115.876 -201.206 19.8064 83.2546 104.276 0.98323 PRESSAVG: 4238000 -51.9267 35.0743 50.1692 35.0743 1.40318 -41.0265 50.1692 -41.0264 -2.43684 GPRESSAVG: 4238000 -51.3888 34.8511 51.4051 36.4736 0.0328969 -42.3108 50.1593 -37.9101 -1.3607 TIMING: 4238000 CPU: 12737.9, 0.00294533/step Wall: 12737.9, 0.00294533/step, 0.623428 hours remaining, 210.453125 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: 4238000 712.3505 2115.4062 1949.9211 101.7276 -205789.8795 17337.6718 0.0000 0.0000 34346.1074 -149226.6948 299.9531 -183572.8022 -149130.8080 299.1395 -194.6221 -165.0794 558315.8145 -17.6534 -17.5722 PRESSURE: 4238200 -78.1209 -57.1086 -14.8237 -57.1095 -234.091 -32.858 -14.8223 -32.8587 -169.298 GPRESSURE: 4238200 -47.1851 -56.0874 -5.86575 -65.3042 -215.564 -86.0938 -6.07913 33.5031 -129.499 PRESSAVG: 4238200 9.50942 -50.0618 -18.2332 -50.0617 -39.6905 -0.401254 -18.2332 -0.401193 36.1444 GPRESSAVG: 4238200 8.99076 -49.3956 -19.8824 -51.7312 -38.2164 -0.240993 -17.3077 -2.00845 34.8743 TIMING: 4238200 CPU: 12738.5, 0.00294162/step Wall: 12738.5, 0.00294162/step, 0.62248 hours remaining, 210.453125 MB of memory in use. ENERGY: 4238200 781.2574 2151.7017 1974.2675 101.5616 -206330.8869 17677.3489 0.0000 0.0000 34343.3428 -149301.4069 299.9290 -183644.7497 -149211.6944 299.0853 -160.5033 -130.7496 557944.1228 1.9878 1.8829 PRESSURE: 4238400 108.512 50.1374 -15.7511 50.1375 -111.754 72.4533 -15.7508 72.4522 90.6169 GPRESSURE: 4238400 178.081 -30.5463 20.1125 56.516 -67.3419 165.752 63.148 -18.0027 72.7902 PRESSAVG: 4238400 -14.8602 20.6196 -36.8975 20.6195 -49.0139 -77.3255 -36.8976 -77.3255 31.7772 GPRESSAVG: 4238400 -13.5373 18.6034 -33.8248 23.0437 -49.5899 -75.2902 -37.5824 -77.4696 31.71 TIMING: 4238400 CPU: 12739.1, 0.00294268/step Wall: 12739.1, 0.00294268/step, 0.62254 hours remaining, 210.453125 MB of memory in use. ENERGY: 4238400 725.6795 2130.3627 1950.9989 111.6956 -206237.2383 17856.7404 0.0000 0.0000 34195.5360 -149266.2252 298.6381 -183461.7612 -149172.5706 299.1672 29.1248 61.1765 558488.9513 -10.6990 -10.4724 PRESSURE: 4238600 138.927 75.4484 -168.571 75.4478 30.5389 115.758 -168.571 115.757 16.3125 GPRESSURE: 4238600 136.228 104.603 -237.959 -10.1067 50.2137 24.3169 -87.9825 160.882 102.45 PRESSAVG: 4238600 -7.56924 27.9907 4.58961 27.9908 29.0546 -25.594 4.58956 -25.594 7.49167 GPRESSAVG: 4238600 -8.14382 28.3718 3.43134 26.8392 28.9355 -28.5028 6.58365 -25.0387 8.79634 TIMING: 4238600 CPU: 12739.7, 0.00294809/step Wall: 12739.7, 0.00294809/step, 0.623522 hours remaining, 210.453125 MB of memory in use. ENERGY: 4238600 753.1773 2028.6088 1936.7996 107.1597 -206266.3602 17901.2998 0.0000 0.0000 34057.2394 -149482.0756 297.4303 -183539.3150 -149384.5498 298.9782 61.9262 96.2973 558041.1823 9.6590 9.8627 PRESSURE: 4238800 152.008 109.765 140.167 109.765 -74.927 -34.7165 140.167 -34.7152 -278.067 GPRESSURE: 4238800 148.017 65.2425 169.864 120.303 -12.2562 0.121765 171.638 20.9963 -242.582 PRESSAVG: 4238800 -71.6085 8.90373 23.5351 8.90372 6.4546 4.17179 23.5352 4.17168 40.6988 GPRESSAVG: 4238800 -72.3103 9.58726 22.0134 9.04952 8.38952 5.42933 22.7315 5.02326 39.9436 TIMING: 4238800 CPU: 12740.2, 0.00294929/step Wall: 12740.2, 0.00294929/step, 0.623611 hours remaining, 210.453125 MB of memory in use. ENERGY: 4238800 773.2864 2082.8389 1949.5880 110.9291 -206146.6433 17622.5822 0.0000 0.0000 34112.2921 -149495.1267 297.9111 -183607.4188 -149398.1314 298.4303 -66.9953 -35.6072 556992.7962 -8.1517 -7.9924 PRESSURE: 4239000 69.8729 -49.2207 -101.616 -49.2213 -35.7984 42.5818 -101.616 42.5826 145.114 GPRESSURE: 4239000 150.803 -119.317 -148.486 -26.5929 -21.6587 132.41 -122.758 -37.2265 158.696 PRESSAVG: 4239000 10.8993 33.7842 -22.4111 33.7841 17.2363 -21.6607 -22.4111 -21.6605 -3.81175 GPRESSAVG: 4239000 12.1888 34.0786 -21.2921 32.3206 16.1142 -20.3593 -24.6426 -22.3933 -3.85414 TIMING: 4239000 CPU: 12740.8, 0.00296582/step Wall: 12740.8, 0.00296582/step, 0.626942 hours remaining, 210.453125 MB of memory in use. ENERGY: 4239000 737.4860 2101.3216 1932.9375 113.6962 -206588.9330 18044.7056 0.0000 0.0000 34049.9975 -149608.7886 297.3671 -183658.7861 -149515.9374 298.5865 59.7294 95.9468 557177.7314 8.1079 8.1496 PRESSURE: 4239200 48.6839 105.121 -0.100666 105.121 -1.51671 46.8141 -0.100325 46.8139 -229.321 GPRESSURE: 4239200 112.319 101.79 14.5208 103.385 -7.19229 39.8166 -18.3856 27.0164 -194.806 PRESSAVG: 4239200 16.969 -16.0546 7.51911 -16.0546 22.1987 29.809 7.51916 29.8091 -52.4546 GPRESSAVG: 4239200 15.8767 -16.3958 6.00339 -15.3023 21.9361 27.7952 8.87451 31.9308 -50.7011 TIMING: 4239200 CPU: 12741.4, 0.0029553/step Wall: 12741.4, 0.0029553/step, 0.624554 hours remaining, 210.453125 MB of memory in use. ENERGY: 4239200 727.2594 2107.5785 1968.5193 109.6858 -206284.7880 17745.9029 0.0000 0.0000 34161.9047 -149463.9374 298.3444 -183625.8421 -149367.3286 298.7447 -60.7178 -29.8928 557567.8590 -4.4290 -4.2961 PRESSURE: 4239400 17.1521 -131.572 23.1622 -131.571 -148.821 148.869 23.1629 148.869 13.421 GPRESSURE: 4239400 16.1575 -114.629 24.3884 -118.45 -91.8445 147.629 -28.3872 144.054 52.3474 PRESSAVG: 4239400 -13.7011 -57.9296 37.6353 -57.9296 2.0577 -25.2048 37.6353 -25.2048 46.244 GPRESSAVG: 4239400 -12.8893 -59.863 38.7547 -57.3608 2.26622 -22.0403 38.1406 -27.4085 45.4588 TIMING: 4239400 CPU: 12742, 0.00293915/step Wall: 12742, 0.00293915/step, 0.620978 hours remaining, 210.453125 MB of memory in use. ENERGY: 4239400 779.4410 2100.7144 1949.9589 105.2116 -205986.7768 17762.0073 0.0000 0.0000 34001.1620 -149288.2815 296.9406 -183289.4436 -149189.5761 299.6284 -39.4159 -7.7799 556909.7941 11.5336 11.6119 PRESSURE: 4239600 92.7582 -85.4931 -49.5448 -85.4932 -114.536 -59.1505 -49.5442 -59.1514 447.049 GPRESSURE: 4239600 101.989 -59.5014 29.5989 -105.882 -18.7947 -33.3315 -83.1975 -86.9652 434.731 PRESSAVG: 4239600 11.7695 -73.8996 8.72742 -73.8996 -41.9922 -49.2826 8.72741 -49.2827 30.8657 GPRESSAVG: 4239600 11.563 -72.4211 8.31038 -74.2711 -41.4423 -50.712 9.03922 -48.8611 30.7886 TIMING: 4239600 CPU: 12742.6, 0.00295823/step Wall: 12742.6, 0.00295823/step, 0.624843 hours remaining, 210.453125 MB of memory in use. ENERGY: 4239600 742.2843 2092.6912 1960.2370 112.8726 -206405.3868 17973.3111 0.0000 0.0000 34251.4842 -149272.5064 299.1267 -183523.9907 -149181.7496 299.1071 141.7572 172.6416 555631.2556 0.2143 0.3031 PRESSURE: 4239800 -41.9896 9.94222 16.2825 9.94283 -27.91 10.8986 16.2819 10.8999 -326.15 GPRESSURE: 4239800 42.6157 23.9408 66.7614 65.4328 -35.5961 -44.0798 -66.3551 95.6158 -306.434 PRESSAVG: 4239800 57.3318 -25.2131 46.1424 -25.2131 6.49621 -12.5152 46.1425 -12.5152 4.58854 GPRESSAVG: 4239800 57.5338 -24.9106 45.6674 -24.8364 7.02587 -13.0925 43.8246 -12.3647 4.10635 TIMING: 4239800 CPU: 12743.2, 0.00296561/step Wall: 12743.2, 0.00296561/step, 0.626238 hours remaining, 210.453125 MB of memory in use. ENERGY: 4239800 735.1852 2062.1404 1944.7037 120.9207 -205924.6619 17551.9283 0.0000 0.0000 34290.6257 -149219.1578 299.4686 -183509.7835 -149116.2047 299.7269 -132.0165 -99.8049 556713.7539 22.8055 22.8887 PRESSURE: 4240000 103.057 -51.6847 -147.101 -51.684 158.038 -78.2596 -147.101 -78.2596 277.042 GPRESSURE: 4240000 160.038 -168.254 -98.1367 -102.074 157.719 -112.453 -128.316 -64.7286 318.945 PRESSAVG: 4240000 -29.7324 17.3136 3.33361 17.3136 -8.52302 55.4851 3.33354 55.4851 -5.21287 GPRESSAVG: 4240000 -28.1251 16.7685 3.82391 16.396 -10.1388 55.3371 3.2335 54.6632 -4.79715 TIMING: 4240000 CPU: 12743.8, 0.0029427/step Wall: 12743.8, 0.0029427/step, 0.621236 hours remaining, 210.453125 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: 4240000 753.6257 2030.7298 1969.3911 109.3013 -206486.8618 18113.2174 0.0000 0.0000 34455.2162 -149055.3803 300.9060 -183510.5965 -148961.3410 299.8173 179.3789 212.2341 555903.0926 -14.4894 -14.3537 PRESSURE: 4240200 87.1997 -14.3175 100.88 -14.3164 66.9235 -54.9801 100.879 -54.979 -100.165 GPRESSURE: 4240200 131.195 21.6059 59.4358 -41.8444 100.42 17.2119 107.341 -24.2932 -76.1455 PRESSAVG: 4240200 -29.594 -30.0812 -34.7919 -30.0812 41.4884 40.0791 -34.7919 40.0792 -67.7733 GPRESSAVG: 4240200 -30.6484 -30.3782 -34.6847 -29.4591 42.3393 39.8844 -34.483 40.6185 -67.5503 TIMING: 4240200 CPU: 12744.4, 0.00295955/step Wall: 12744.4, 0.00295955/step, 0.624629 hours remaining, 210.453125 MB of memory in use. ENERGY: 4240200 724.9557 2028.2729 1968.4553 112.1184 -205901.0187 17671.4322 0.0000 0.0000 34497.5022 -148898.2820 301.2753 -183395.7842 -148803.4037 299.5878 17.9862 51.8234 556942.1766 -18.6263 -18.6198 LDB: ============= START OF LOAD BALANCING ============== 12747.9 LDB: ============== END OF LOAD BALANCING =============== 12747.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12747.9 LDB: ============= START OF LOAD BALANCING ============== 12748.2 LDB: Largest compute 4773 load 0.027440 is 23.2% of average load 0.118129 LDB: Average compute 0.001734 is 1.5% of average load 0.118129 LDB: TIME 12748.2 LOAD: AVG 0.118129 MAX 0.20386 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.508 MB LDB: TIME 12748.2 LOAD: AVG 0.118129 MAX 0.20386 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.711 MB LDB: TIME 12748.2 LOAD: AVG 0.118129 MAX 0.20386 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.711 MB LDB: ============== END OF LOAD BALANCING =============== 12748.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12748.2 PRESSURE: 4240400 94.1746 25.1141 -81.2911 25.1135 -4.38194 -95.8104 -81.2919 -95.8094 -68.3042 GPRESSURE: 4240400 133.594 -80.4817 -108.838 96.789 49.1706 -63.3067 16.382 -149.356 -48.7638 PRESSAVG: 4240400 60.4083 -15.9982 2.06521 -15.9983 39.8467 -28.9509 2.06515 -28.9509 -49.6335 GPRESSAVG: 4240400 61.4446 -12.8583 2.38626 -18.1392 39.0203 -31.3687 2.87187 -27.8053 -49.8647 TIMING: 4240400 CPU: 12745, 0.00301299/step Wall: 12745, 0.00301299/step, 0.635741 hours remaining, 209.515625 MB of memory in use. ENERGY: 4240400 723.0476 2044.0830 1959.5982 115.9948 -205714.5305 17694.5299 0.0000 0.0000 34315.1384 -148862.1386 299.6826 -183177.2769 -148764.2864 300.3053 7.1628 44.6670 556297.3180 16.8738 16.8667 PRESSURE: 4240600 215.233 -184.783 -28.4712 -184.782 320.414 -40.2676 -28.4708 -40.2683 27.4126 GPRESSURE: 4240600 256.892 -295.481 -126.015 -198.298 319.321 -35.1295 -20.4024 -21.0017 80.1517 PRESSAVG: 4240600 53.7521 -12.3716 27.9016 -12.3715 -74.6016 9.64235 27.9018 9.64231 12.9824 GPRESSAVG: 4240600 51.4532 -13.3329 28.416 -12.0415 -72.9977 11.5971 26.2912 7.30926 12.7772 TIMING: 4240600 CPU: 12745.6, 0.00293805/step Wall: 12745.6, 0.00293805/step, 0.619766 hours remaining, 209.730469 MB of memory in use. ENERGY: 4240600 767.5438 2045.7842 1974.7390 113.6453 -206246.0803 17927.2611 0.0000 0.0000 34538.4057 -148878.7012 301.6325 -183417.1069 -148779.1403 300.5950 187.6866 218.7879 555286.0421 -2.6224 -2.9224 PRESSURE: 4240800 -198.714 29.1872 -66.727 29.1872 -59.808 -40.8029 -66.7269 -40.8029 -157.396 GPRESSURE: 4240800 -152.026 -2.53426 -61.7197 59.4268 -76.8145 -6.47681 -74.5405 61.592 -92.5085 PRESSAVG: 4240800 -22.5978 9.80443 43.153 9.80445 53.2212 17.968 43.153 17.9681 -22.9269 GPRESSAVG: 4240800 -20.5384 8.26429 41.8881 10.5438 51.1391 18.1568 44.3593 17.9434 -23.3996 TIMING: 4240800 CPU: 12746.2, 0.00294968/step Wall: 12746.2, 0.00294968/step, 0.622054 hours remaining, 209.730469 MB of memory in use. ENERGY: 4240800 728.7400 2037.8552 1937.2831 120.3856 -205502.1577 17294.9959 0.0000 0.0000 34498.5717 -148884.3262 301.2846 -183382.8979 -148785.9257 300.2947 -138.6393 -107.1165 557137.4112 2.5655 2.4004 PRESSURE: 4241000 53.4322 -60.8042 80.985 -60.8035 -26.1101 50.895 80.9857 50.8936 -273.735 GPRESSURE: 4241000 91.4525 -35.7858 17.931 -150.373 -10.9335 59.9153 58.5772 46.3929 -213.112 PRESSAVG: 4241000 -31.5676 12.7818 38.1363 12.7817 69.7319 -64.8716 38.1363 -64.8715 -49.6303 GPRESSAVG: 4241000 -32.8641 14.8607 39.6788 12.8413 70.1826 -64.4849 38.6177 -62.6091 -48.6017 TIMING: 4241000 CPU: 12746.8, 0.00293309/step Wall: 12746.8, 0.00293309/step, 0.618394 hours remaining, 209.730469 MB of memory in use. ENERGY: 4241000 765.7970 2077.2912 1945.7790 110.0394 -205762.0654 17540.0841 0.0000 0.0000 34552.1231 -148770.9516 301.7523 -183323.0747 -148670.9269 299.9240 -82.1376 -44.1976 557280.4599 -3.8220 -3.7611 PRESSURE: 4241200 128.782 23.4769 -21.6702 23.4779 105.453 53.4253 -21.6704 53.4246 -177.5 GPRESSURE: 4241200 126.433 108.382 17.2792 23.1404 110.17 24.2953 -56.4652 75.2548 -86.8967 PRESSAVG: 4241200 88.9291 6.24144 24.6702 6.24146 22.501 -28.2908 24.6703 -28.2908 -72.9311 GPRESSAVG: 4241200 88.8343 4.98316 23.664 7.88153 22.715 -31.0203 23.9386 -27.6659 -73.0315 TIMING: 4241200 CPU: 12747.3, 0.00296456/step Wall: 12747.3, 0.00296456/step, 0.624864 hours remaining, 209.730469 MB of memory in use. ENERGY: 4241200 712.5559 2150.1884 1944.4660 118.9783 -205718.1238 17622.4137 0.0000 0.0000 34369.5567 -148799.9648 300.1579 -183169.5215 -148703.5284 300.7045 18.9117 49.9021 557047.3490 12.8330 12.8393 PRESSURE: 4241400 4.44581 53.8455 -177.071 53.8452 -307.855 -78.8081 -177.071 -78.8077 -169.202 GPRESSURE: 4241400 34.776 -57.1669 -153.006 162.027 -275.821 -72.5609 -191.579 -90.9352 -154.348 PRESSAVG: 4241400 20.7846 11.592 -39.6051 11.592 -10.8488 -8.66595 -39.605 -8.66585 -21.8977 GPRESSAVG: 4241400 21.4859 11.8031 -39.5902 11.7955 -10.787 -7.48322 -40.2457 -8.62321 -23.4015 TIMING: 4241400 CPU: 12747.9, 0.00294806/step Wall: 12747.9, 0.00294806/step, 0.621223 hours remaining, 209.730469 MB of memory in use. ENERGY: 4241400 746.1807 2112.9297 1967.6018 103.6202 -205656.5201 17401.6860 0.0000 0.0000 34403.2488 -148921.2529 300.4521 -183324.5017 -148821.7722 300.7044 -157.5371 -131.7978 557709.5858 -3.9873 -4.2342 PRESSURE: 4241600 10.6809 92.1532 50.1127 92.1527 -84.8254 18.1516 50.1128 18.1529 -57.6625 GPRESSURE: 4241600 40.2826 50.7588 29.244 80.705 -79.2161 -114.671 12.2067 32.1591 13.9454 PRESSAVG: 4241600 43.8587 20.3936 -67.1071 20.3936 29.5518 -26.4417 -67.107 -26.4415 -30.5017 GPRESSAVG: 4241600 44.4794 19.1921 -67.1986 20.6182 27.9755 -28.2348 -68.2851 -28.3158 -29.2652 TIMING: 4241600 CPU: 12748.5, 0.00294571/step Wall: 12748.5, 0.00294571/step, 0.620564 hours remaining, 209.730469 MB of memory in use. ENERGY: 4241600 761.2487 2079.7452 1936.8668 106.2550 -206016.5165 17720.7979 0.0000 0.0000 34630.5525 -148781.0504 302.4372 -183411.6029 -148678.5744 301.1206 -43.9357 -8.3294 557362.0035 14.3029 14.3966 PRESSURE: 4241800 -53.8996 12.7295 -125.76 12.7296 91.2693 119.052 -125.761 119.051 -5.00696 GPRESSURE: 4241800 -40.0277 -59.2907 -172.701 9.86083 155.914 76.0997 -35.7134 182.535 14.9116 PRESSAVG: 4241800 26.0272 -3.34295 -53.1429 -3.34292 43.6429 41.0966 -53.143 41.0965 -64.4294 GPRESSAVG: 4241800 25.6279 -2.14059 -52.7085 -4.71455 44.6096 42.471 -51.1546 43.3835 -65.2196 TIMING: 4241800 CPU: 12749.1, 0.002946/step Wall: 12749.1, 0.002946/step, 0.62046 hours remaining, 209.730469 MB of memory in use. ENERGY: 4241800 719.3567 2121.4619 1925.6875 110.6358 -205788.5671 17699.9241 0.0000 0.0000 34266.8628 -148944.6383 299.2610 -183211.5011 -148847.4615 300.0417 10.7876 43.5993 557472.4454 1.7469 1.6726 PRESSURE: 4242000 -80.0921 -58.0473 -255.099 -58.0469 -95.7206 -14.2439 -255.099 -14.2445 -172.703 GPRESSURE: 4242000 -106.325 -50.0444 -299.879 72.4593 -61.6641 113.195 -290.262 -100.944 -91.9312 PRESSAVG: 4242000 -9.77897 -23.1253 -39.5041 -23.1252 45.0754 17.7013 -39.5041 17.7013 16.2531 GPRESSAVG: 4242000 -11.4226 -23.5286 -38.8261 -22.7521 45.716 18.2547 -39.354 17.5809 17.1617 TIMING: 4242000 CPU: 12749.7, 0.00296688/step Wall: 12749.7, 0.00296688/step, 0.624693 hours remaining, 209.730469 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: 4242000 775.7834 2044.7495 1940.2953 112.9605 -206031.7998 17713.6206 0.0000 0.0000 34383.7948 -149060.5957 300.2822 -183444.3905 -148958.6826 299.9908 -116.1719 -86.6400 557510.0525 17.1832 17.1517 PRESSURE: 4242200 71.3419 -45.1961 3.27892 -45.1962 -97.3885 -60.3459 3.27986 -60.345 -11.3206 GPRESSURE: 4242200 109.29 23.889 4.32704 -36.3769 -46.8494 -37.2763 -49.7356 -35.8679 -7.787 PRESSAVG: 4242200 -10.6222 -17.2612 -7.43921 -17.2613 19.6685 24.7068 -7.43922 24.7068 11.7777 GPRESSAVG: 4242200 -10.6815 -17.1403 -9.21972 -16.898 20.0642 24.818 -7.11706 23.4073 11.3085 TIMING: 4242200 CPU: 12750.3, 0.00298253/step Wall: 12750.3, 0.00298253/step, 0.627823 hours remaining, 209.730469 MB of memory in use. ENERGY: 4242200 732.3443 2144.2836 1920.8831 105.1282 -206209.9061 17768.9011 0.0000 0.0000 34392.7874 -149145.5783 300.3608 -183538.3657 -149047.4215 299.6926 -12.4558 18.2177 557185.6236 6.9413 6.8970 PRESSURE: 4242400 -291.315 111.146 4.8466 111.146 -91.7854 133.087 4.84612 133.086 -96.9312 GPRESSURE: 4242400 -191.084 60.3992 8.34848 212.486 -76.5079 84.5001 35.1731 236.031 -125.435 PRESSAVG: 4242400 -48.2097 -14.1431 46.2651 -14.143 0.847567 -3.946 46.2651 -3.94607 0.726762 GPRESSAVG: 4242400 -47.7612 -14.4651 47.3685 -13.7598 1.00365 -3.9503 46.249 -3.90087 -0.194654 TIMING: 4242400 CPU: 12750.9, 0.00296715/step Wall: 12750.9, 0.00296715/step, 0.624419 hours remaining, 209.730469 MB of memory in use. ENERGY: 4242400 723.5708 2151.8001 1926.4079 109.3001 -205969.7510 17628.9561 0.0000 0.0000 34358.5662 -149071.1499 300.0619 -183429.7160 -148980.0317 299.4688 -160.0104 -131.0088 557360.8251 -15.5451 -15.6507 PRESSURE: 4242600 178.649 4.57694 -27.194 4.57663 -2.73048 46.4145 -27.194 46.4156 -200.268 GPRESSURE: 4242600 231.64 -3.85177 -27.8514 22.9272 -12.2148 90.4766 37.7852 -66.8544 -164.276 PRESSAVG: 4242600 73.5994 -29.2007 3.1709 -29.2007 -36.9048 -10.6551 3.17097 -10.6551 -32.6894 GPRESSAVG: 4242600 72.7549 -28.8957 4.37451 -30.1459 -36.7373 -10.1456 1.88704 -9.70165 -31.9801 TIMING: 4242600 CPU: 12751.5, 0.00298363/step Wall: 12751.5, 0.00298363/step, 0.627723 hours remaining, 209.730469 MB of memory in use. ENERGY: 4242600 755.6341 2189.3643 1919.2006 110.9477 -206510.8632 17928.2186 0.0000 0.0000 34425.4504 -149182.0476 300.6460 -183607.4980 -149087.8909 299.9230 -8.1165 18.3830 556672.0413 1.3351 1.3458 PRESSURE: 4242800 -295.853 89.2235 -5.07202 89.2242 19.6844 206.916 -5.07135 206.917 -184.837 GPRESSURE: 4242800 -257.153 11.4325 65.8701 74.17 48.9903 87.0824 -22.9262 221.695 -155.962 PRESSAVG: 4242800 48.4835 28.37 43.2542 28.37 -12.9322 6.8961 43.2543 6.89603 -38.9399 GPRESSAVG: 4242800 48.4492 28.2965 41.3027 27.3348 -11.4993 8.51228 45.6847 4.16938 -40.0546 TIMING: 4242800 CPU: 12752.1, 0.00297067/step Wall: 12752.1, 0.00297067/step, 0.624832 hours remaining, 209.730469 MB of memory in use. ENERGY: 4242800 761.8055 2077.1306 1951.6226 104.0604 -205889.2853 17350.3294 0.0000 0.0000 34542.9025 -149101.4342 301.6718 -183644.3368 -149010.7226 300.5621 -153.6686 -121.3750 556058.5105 -1.1295 -1.0349 PRESSURE: 4243000 0.739918 10.3257 66.7791 10.3262 228.378 -44.3015 66.7803 -44.3 186.251 GPRESSURE: 4243000 3.27112 -28.7944 71.3918 30.7364 283.255 -87.9685 76.8534 -33.8788 222.937 PRESSAVG: 4243000 -1.06704 -16.6607 6.38532 -16.6607 26.3636 74.8934 6.3854 74.8934 3.55464 GPRESSAVG: 4243000 -0.930054 -16.8073 4.70374 -15.7391 24.6598 73.1901 5.5227 76.5173 4.68458 TIMING: 4243000 CPU: 12752.7, 0.00298954/step Wall: 12752.7, 0.00298954/step, 0.628633 hours remaining, 209.730469 MB of memory in use. ENERGY: 4243000 745.5557 2046.9005 1968.2025 119.2471 -206155.2574 17941.9376 0.0000 0.0000 34224.2581 -149109.1560 298.8890 -183333.4141 -149018.3013 300.0162 138.4561 169.8209 555932.5707 9.6171 9.4714 PRESSURE: 4243200 -49.6727 -14.9191 -20.5525 -14.9196 -25.3752 -76.0825 -20.5528 -76.0828 -147.409 GPRESSURE: 4243200 -75.5089 -7.91977 -20.6547 -102.792 10.7627 -37.6076 -35.9141 -38.8625 -49.4087 PRESSAVG: 4243200 31.9381 28.2401 13.4173 28.2401 17.2856 -11.1553 13.4174 -11.1554 -14.5414 GPRESSAVG: 4243200 32.076 28.7326 16.6445 28.3988 17.7863 -9.55365 12.5317 -10.894 -15.4033 TIMING: 4243200 CPU: 12753.3, 0.00297518/step Wall: 12753.3, 0.00297518/step, 0.625448 hours remaining, 209.730469 MB of memory in use. ENERGY: 4243200 736.3456 2046.1218 1940.7069 116.5543 -205813.7380 17731.8743 0.0000 0.0000 34208.3206 -149033.8144 298.7498 -183242.1350 -148946.3524 299.7682 -74.1522 -38.0516 560320.3307 11.5608 11.4863 PRESSURE: 4243400 243.004 -104.377 29.8984 -104.376 -237.29 -52.9132 29.8989 -52.9158 -216.371 GPRESSURE: 4243400 229.035 -70.3694 53.7612 -89.403 -230.591 -66.6946 52.5346 -27.5398 -124.646 PRESSAVG: 4243400 26.978 16.7382 -4.31371 16.7382 25.1164 -9.91102 -4.31369 -9.91108 -66.0062 GPRESSAVG: 4243400 27.1335 15.8693 -4.42676 15.5191 24.8499 -10.9647 -4.57491 -10.0848 -65.7284 TIMING: 4243400 CPU: 12753.9, 0.00297435/step Wall: 12753.9, 0.00297435/step, 0.625109 hours remaining, 209.730469 MB of memory in use. ENERGY: 4243400 731.1087 2073.4293 1950.7893 113.9397 -206064.3595 17778.3655 0.0000 0.0000 34482.7926 -148933.9344 301.1468 -183416.7270 -148837.4872 299.7216 -70.2189 -42.0675 559044.8932 -4.6373 -4.5816 PRESSURE: 4243600 -207.381 -32.3578 -93.7464 -32.36 -183.034 25.3758 -93.7485 25.3761 -309.172 GPRESSURE: 4243600 -211.976 -14.4522 -117.009 -23.8265 -145.238 -16.2918 -29.0266 -3.01885 -236.653 PRESSAVG: 4243600 -4.84324 -66.859 -10.2995 -66.8591 14.4236 17.1868 -10.2994 17.1868 -41.7873 GPRESSAVG: 4243600 -4.17565 -66.2531 -11.5129 -64.0834 14.1503 16.6798 -11.1633 16.887 -42.284 TIMING: 4243600 CPU: 12754.5, 0.0029701/step Wall: 12754.5, 0.0029701/step, 0.624052 hours remaining, 209.730469 MB of memory in use. ENERGY: 4243600 744.6010 2088.0950 1960.1913 117.7414 -205475.2487 17348.8810 0.0000 0.0000 34228.4813 -148987.2577 298.9258 -183215.7389 -148891.9414 300.0326 -233.1956 -197.9560 559564.5609 -10.7356 -10.7698 PRESSURE: 4243800 203.476 -13.1415 73.3706 -13.1414 40.4478 99.582 73.3707 99.581 -72.0354 GPRESSURE: 4243800 247.999 13.5096 98.9508 38.7118 61.4629 54.3597 83.7025 52.5447 -50.9895 PRESSAVG: 4243800 -23.4711 27.591 71.3548 27.5911 -65.6334 10.2569 71.3548 10.2568 70.5944 GPRESSAVG: 4243800 -23.157 27.0575 71.5197 26.2323 -66.3534 10.0121 73.3712 9.65761 71.3055 TIMING: 4243800 CPU: 12755.1, 0.00300172/step Wall: 12755.1, 0.00300172/step, 0.630528 hours remaining, 209.730469 MB of memory in use. ENERGY: 4243800 748.3591 2126.6956 1949.7556 110.7661 -206089.1437 17778.6911 0.0000 0.0000 34329.4686 -149045.4076 299.8078 -183374.8763 -148947.1209 299.4903 57.2961 86.1574 558595.1537 -6.1701 -6.0683 PRESSURE: 4244000 244.064 -43.2685 186.787 -43.2677 -2.0338 20.5551 186.788 20.5566 -137.737 GPRESSURE: 4244000 271.908 -14.1394 199.906 2.81665 -17.176 -0.853251 123.554 115.711 -51.2314 PRESSAVG: 4244000 18.686 -10.4558 15.0929 -10.4558 5.20673 -13.1697 15.093 -13.1697 -17.3442 GPRESSAVG: 4244000 18.761 -8.63845 15.3369 -12.3561 5.28356 -12.6792 14.7286 -11.5547 -17.356 TIMING: 4244000 CPU: 12755.7, 0.00299579/step Wall: 12755.7, 0.00299579/step, 0.629116 hours remaining, 209.730469 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: 4244000 756.0000 2111.7314 1942.0649 119.3064 -206209.6020 18039.3714 0.0000 0.0000 34253.1402 -148987.9877 299.1412 -183241.1279 -148892.8478 299.4969 34.7644 67.8337 558844.7572 2.1828 2.2295 PRESSURE: 4244200 6.01872 64.8574 47.8458 64.858 -116.315 -93.3556 47.8449 -93.3555 -254.059 GPRESSURE: 4244200 1.62458 14.7265 117.52 108.684 -66.1565 -100.797 157.256 -76.5281 -200.559 PRESSAVG: 4244200 38.2227 -2.58021 41.4463 -2.58018 -6.4217 29.8177 41.4462 29.8177 -5.05486 GPRESSAVG: 4244200 38.3674 -3.68724 39.5448 -1.13472 -5.23945 30.6872 42.421 30.745 -6.06709 TIMING: 4244200 CPU: 12756.3, 0.00298561/step Wall: 12756.3, 0.00298561/step, 0.626812 hours remaining, 209.730469 MB of memory in use. ENERGY: 4244200 741.2570 2102.7590 1959.4212 113.8467 -205579.2647 17480.4447 0.0000 0.0000 34247.5258 -148934.0102 299.0922 -183181.5360 -148842.8242 299.4495 -121.4516 -88.3635 557302.0685 8.9154 9.0203 LDB: ============= START OF LOAD BALANCING ============== 12759.8 LDB: ============== END OF LOAD BALANCING =============== 12759.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12759.8 LDB: ============= START OF LOAD BALANCING ============== 12760.1 LDB: Largest compute 4773 load 0.027782 is 23.5% of average load 0.118102 LDB: Average compute 0.001734 is 1.5% of average load 0.118102 LDB: TIME 12760.1 LOAD: AVG 0.118102 MAX 0.204818 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209 MB LDB: TIME 12760.1 LOAD: AVG 0.118102 MAX 0.204818 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.234 MB LDB: TIME 12760.1 LOAD: AVG 0.118102 MAX 0.204818 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.234 MB LDB: ============== END OF LOAD BALANCING =============== 12760.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12760.1 PRESSURE: 4244400 208.83 4.25119 -48.2829 4.25007 149.91 -182.237 -48.2829 -182.236 86.2687 GPRESSURE: 4244400 230.215 26.5474 -4.9072 61.2452 180.671 -172.505 -16.0062 -247.917 131.671 PRESSAVG: 4244400 -11.929 -61.7288 -24.3097 -61.7287 28.0071 13.2911 -24.3097 13.291 8.32046 GPRESSAVG: 4244400 -12.5166 -62.3645 -21.3141 -62.0674 28.0975 16.1346 -27.9651 11.5814 9.27562 TIMING: 4244400 CPU: 12756.9, 0.00302419/step Wall: 12756.9, 0.00302419/step, 0.634745 hours remaining, 207.406250 MB of memory in use. ENERGY: 4244400 710.8366 2107.2552 1961.2914 118.8386 -206245.1943 18051.9345 0.0000 0.0000 34318.0148 -148977.0232 299.7078 -183295.0380 -148882.8144 300.6516 148.3362 180.8520 556223.5774 8.1329 8.2855 PRESSURE: 4244600 1.59403 -72.8875 -65.1283 -72.8881 -42.1936 182.71 -65.1284 182.71 191.68 GPRESSURE: 4244600 101.175 -154.005 6.01892 -37.0062 -7.68915 259.449 -80.626 147.452 157.103 PRESSAVG: 4244600 -29.1653 -44.6149 61.2889 -44.6149 18.637 -1.45672 61.2889 -1.45668 33.7231 GPRESSAVG: 4244600 -28.1264 -45.9821 60.1336 -42.7711 19.1403 -3.64469 63.3718 -2.97702 32.9818 TIMING: 4244600 CPU: 12757.5, 0.00296213/step Wall: 12757.5, 0.00296213/step, 0.621555 hours remaining, 207.406250 MB of memory in use. ENERGY: 4244600 721.9293 2125.7797 1935.5063 113.5973 -206246.1031 17877.0174 0.0000 0.0000 34413.2755 -149058.9977 300.5397 -183472.2732 -148961.8649 299.3867 50.3602 83.5298 557170.5034 7.7316 7.9986 PRESSURE: 4244800 122.439 -3.00999 117.039 -3.01015 94.3158 -59.0154 117.039 -59.0141 229.264 GPRESSURE: 4244800 163.254 -33.7562 97.3834 -3.5289 128.729 -85.9692 73.3319 -67.041 251.148 PRESSAVG: 4244800 29.3626 -55.4884 36.3531 -55.4884 -56.0943 37.6735 36.3531 37.6735 15.0104 GPRESSAVG: 4244800 29.1384 -52.5724 36.1566 -58.4811 -56.8695 35.2444 38.1151 39.7665 15.8298 TIMING: 4244800 CPU: 12758.1, 0.0029476/step Wall: 12758.1, 0.0029476/step, 0.618341 hours remaining, 207.406250 MB of memory in use. ENERGY: 4244800 745.0523 2123.6383 1935.5465 114.5488 -206095.2153 17868.9560 0.0000 0.0000 34344.2431 -148963.2303 299.9368 -183307.4735 -148875.0630 299.2732 148.6727 181.0437 555819.3546 -3.9071 -3.9671 PRESSURE: 4245000 333.06 -42.8857 -29.1722 -42.8855 193.651 -96.9865 -29.1728 -96.9861 129.506 GPRESSURE: 4245000 378.944 -34.5317 -32.6357 -9.04451 207.566 -34.7712 20.7469 -115.28 165.954 PRESSAVG: 4245000 -51.1732 -23.3934 -34.4789 -23.3933 9.01246 29.9605 -34.4789 29.9604 48.81 GPRESSAVG: 4245000 -52.7454 -25.7795 -35.9274 -20.8081 9.22067 30.1549 -36.1104 28.3598 49.4237 TIMING: 4245000 CPU: 12758.6, 0.00293975/step Wall: 12758.6, 0.00293975/step, 0.616531 hours remaining, 207.406250 MB of memory in use. ENERGY: 4245000 722.0324 2057.1601 1956.7495 117.5747 -206256.4653 17954.3829 0.0000 0.0000 34510.6852 -148937.8805 301.3904 -183448.5657 -148839.6120 300.3681 218.7391 250.8212 556722.0613 2.2164 1.9663 PRESSURE: 4245200 99.4586 1.23309 -21.0337 1.23244 -103.873 -98.029 -21.0329 -98.0292 40.3542 GPRESSURE: 4245200 151.173 1.90648 -21.3279 -9.2363 -30.2423 -118.45 -15.3515 -77.7092 7.18376 PRESSAVG: 4245200 28.7243 -27.5264 -15.8654 -27.5265 59.0035 -12.5084 -15.8654 -12.5084 -40.6347 GPRESSAVG: 4245200 28.6847 -26.5891 -15.8237 -28.1637 58.7942 -10.7539 -15.7751 -12.7 -40.5456 TIMING: 4245200 CPU: 12759.2, 0.00296418/step Wall: 12759.2, 0.00296418/step, 0.62149 hours remaining, 207.406250 MB of memory in use. ENERGY: 4245200 774.4487 2084.2423 1941.3896 118.0333 -206010.4644 17805.2495 0.0000 0.0000 34353.3861 -148933.7149 300.0167 -183287.1010 -148835.8374 300.1188 11.9799 42.7049 556469.1800 15.6977 15.6444 PRESSURE: 4245400 137.966 65.4535 -20.8872 65.4535 195.602 -36.4773 -20.8867 -36.4759 274.213 GPRESSURE: 4245400 199.126 84.4813 -84.6505 -51.1211 174.415 -103.951 -24.6469 -18.3632 330.757 PRESSAVG: 4245400 -23.5076 -9.03982 -20.1362 -9.03986 13.3197 -24.9221 -20.1362 -24.9221 11.3463 GPRESSAVG: 4245400 -23.2539 -9.1521 -19.2729 -10.0245 13.4273 -27.6793 -20.7984 -20.3551 10.8979 TIMING: 4245400 CPU: 12759.8, 0.00297463/step Wall: 12759.8, 0.00297463/step, 0.623516 hours remaining, 207.406250 MB of memory in use. ENERGY: 4245400 746.4887 2067.8553 1948.0883 119.2489 -205839.4006 17868.5360 0.0000 0.0000 34213.0200 -148876.1632 298.7908 -183089.1832 -148785.3813 300.4271 202.5935 234.7658 557006.3792 0.3861 0.3571 PRESSURE: 4245600 -132.12 9.26522 85.9911 9.26529 -164.399 -83.8171 85.9913 -83.8157 -53.2712 GPRESSURE: 4245600 -126.436 111.488 105.123 3.77439 -95.5443 -110.707 152.789 -54.9913 -34.9573 PRESSAVG: 4245600 22.8658 -6.52506 19.2526 -6.52503 14.9692 -11.6191 19.2525 -11.6191 -43.9467 GPRESSAVG: 4245600 24.8872 -6.37177 17.066 -3.16828 14.5675 -9.23562 22.5268 -15.4321 -45.6663 TIMING: 4245600 CPU: 12760.4, 0.00297207/step Wall: 12760.4, 0.00297207/step, 0.622813 hours remaining, 207.406250 MB of memory in use. ENERGY: 4245600 763.6002 2030.5805 1977.4701 114.7627 -205883.2951 17669.6155 0.0000 0.0000 34476.3746 -148850.8914 301.0908 -183327.2660 -148761.1873 300.5938 -116.5966 -85.6458 558077.7959 -2.0372 -2.0705 PRESSURE: 4245800 -152.642 -241.169 -109.871 -241.17 -143.596 112.517 -109.869 112.517 -100.639 GPRESSURE: 4245800 -79.7296 -179.26 -119.962 -208.872 -145.255 188.399 -160.002 86.4614 -70.6712 PRESSAVG: 4245800 38.6993 0.74513 -11.4033 0.745096 -41.8616 36.201 -11.4032 36.201 -5.6421 GPRESSAVG: 4245800 37.8608 1.40409 -8.21754 -1.24738 -40.3646 35.1594 -14.1422 37.4197 -5.37443 TIMING: 4245800 CPU: 12761, 0.00298091/step Wall: 12761, 0.00298091/step, 0.6245 hours remaining, 207.406250 MB of memory in use. ENERGY: 4245800 765.7143 2057.4517 1979.0444 104.1236 -205751.8972 17557.5520 0.0000 0.0000 34377.5999 -148910.4113 300.2281 -183288.0112 -148805.8913 300.1157 -132.2927 -98.5521 558042.8119 -2.9348 -2.6261 PRESSURE: 4246000 -182.334 258.176 -56.3751 258.176 217.505 88.3228 -56.3731 88.3221 -352.283 GPRESSURE: 4246000 -148.079 156.006 -106.529 342.613 231.736 102.119 -38.0706 37.2776 -307.179 PRESSAVG: 4246000 13.9466 -36.8763 17.4669 -36.8763 25.6737 62.1011 17.467 62.1011 -1.70839 GPRESSAVG: 4246000 14.3272 -38.849 16.8851 -37.3619 24.3781 63.7625 17.7405 62.0424 -1.23399 TIMING: 4246000 CPU: 12761.6, 0.00297974/step Wall: 12761.6, 0.00297974/step, 0.624089 hours remaining, 207.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4246000 744.1361 2029.4175 1969.1959 120.6954 -205570.9802 17591.4019 0.0000 0.0000 34385.5501 -148730.5831 300.2976 -183116.1333 -148634.9519 300.4710 -105.7039 -74.5077 559293.5265 12.6373 12.4904 PRESSURE: 4246200 -147.969 -88.7122 154.148 -88.7115 -168.811 71.2796 154.148 71.2791 24.9666 GPRESSURE: 4246200 -132.529 -39.9234 158.427 -143.448 -95.0959 117.337 240.605 89.5853 28.6086 PRESSAVG: 4246200 -59.2586 24.0645 -64.4378 24.0646 83.3695 11.3069 -64.4377 11.3069 -24.1406 GPRESSAVG: 4246200 -60.2124 26.9734 -64.9107 22.8947 83.9123 10.843 -64.6016 10.5305 -24.3468 TIMING: 4246200 CPU: 12762.2, 0.00300402/step Wall: 12762.2, 0.00300402/step, 0.629008 hours remaining, 207.406250 MB of memory in use. ENERGY: 4246200 714.8732 2067.8886 1915.9185 119.0870 -205910.5131 17791.0961 0.0000 0.0000 34401.1228 -148900.5268 300.4336 -183301.6496 -148807.5544 300.5092 -97.2710 -66.3387 560581.1808 -0.0099 -0.2156 PRESSURE: 4246400 -124.012 18.6737 29.7949 18.6728 280.387 21.2654 29.7959 21.2653 -136.038 GPRESSURE: 4246400 -97.3205 -3.56117 20.2446 86.2706 303.691 94.0898 6.60817 -23.314 -83.6856 PRESSAVG: 4246400 1.39343 -11.6275 0.369267 -11.6275 1.03303 36.3234 0.369207 36.3234 -22.7216 GPRESSAVG: 4246400 2.36876 -14.7969 2.40563 -7.81499 -0.127947 34.8906 -0.334176 38.8187 -22.9309 TIMING: 4246400 CPU: 12762.8, 0.00296645/step Wall: 12762.8, 0.00296645/step, 0.620976 hours remaining, 207.406250 MB of memory in use. ENERGY: 4246400 744.0087 2118.3479 1948.4855 108.9675 -205608.1003 17658.5697 0.0000 0.0000 34277.4406 -148752.2803 299.3534 -183029.7209 -148654.0556 300.2328 6.7791 40.8949 558580.8271 -6.7650 -6.8967 PRESSURE: 4246600 -301.219 71.4866 176.466 71.4872 -192.147 20.6174 176.467 20.6181 -46.5674 GPRESSURE: 4246600 -257.993 38.6188 191.925 55.161 -181.834 7.46278 138.439 70.1833 -4.80283 PRESSAVG: 4246600 -31.5774 -37.2129 13.229 -37.213 8.65644 9.45399 13.229 9.45399 -14.2932 GPRESSAVG: 4246600 -32.8038 -37.2371 11.5137 -37.7823 9.46182 8.93355 14.2574 10.1648 -12.8613 TIMING: 4246600 CPU: 12763.4, 0.00294262/step Wall: 12763.4, 0.00294262/step, 0.615826 hours remaining, 207.406250 MB of memory in use. ENERGY: 4246600 725.6891 2044.8977 1947.3247 123.4384 -205457.5933 17402.9193 0.0000 0.0000 34268.1168 -148945.2073 299.2720 -183213.3241 -148844.6314 299.2047 -179.9776 -148.2100 559954.7609 -12.4047 -12.0677 PRESSURE: 4246800 199.449 -298.775 -6.90121 -298.776 206.77 -65.1572 -6.90151 -65.1566 29.3694 GPRESSURE: 4246800 211.728 -277.531 -29.9053 -237.787 233.958 -123.273 52.9613 -52.1637 81.3736 PRESSAVG: 4246800 -38.5347 26.4204 -12.6284 26.4204 63.0095 1.789 -12.6283 1.78894 -23.9679 GPRESSAVG: 4246800 -38.2907 27.5827 -11.5683 24.7877 63.9857 3.98649 -13.3347 -3.12648 -25.0441 TIMING: 4246800 CPU: 12764, 0.00296625/step Wall: 12764, 0.00296625/step, 0.620606 hours remaining, 207.406250 MB of memory in use. ENERGY: 4246800 734.6940 2013.9535 1925.4212 120.7064 -206138.6412 17923.4759 0.0000 0.0000 34533.8544 -148886.5358 301.5927 -183420.3902 -148799.6739 300.1305 145.1963 175.6865 557425.8810 0.1690 0.2170 PRESSURE: 4247000 17.8615 -15.3201 -19.9324 -15.3177 52.5804 -17.8662 -19.933 -17.867 252.274 GPRESSURE: 4247000 40.1376 5.54352 -66.671 14.4404 108.686 -27.5648 48.4761 -42.8734 274.044 PRESSAVG: 4247000 -3.4848 -11.1114 -15.2505 -11.1114 30.311 18.7221 -15.2505 18.7221 -0.837848 GPRESSAVG: 4247000 -2.86777 -10.9318 -15.9233 -9.82385 29.0945 16.0596 -14.57 21.3168 0.180505 TIMING: 4247000 CPU: 12764.6, 0.00295876/step Wall: 12764.6, 0.00295876/step, 0.618874 hours remaining, 207.406250 MB of memory in use. ENERGY: 4247000 764.0689 2056.2728 1936.1431 121.6973 -206171.0017 18030.0044 0.0000 0.0000 34462.9512 -148799.8641 300.9735 -183262.8153 -148706.1913 300.1970 107.5721 140.9556 556686.1682 8.6628 8.8024 PRESSURE: 4247200 -29.3929 64.5838 123.818 64.5839 -97.8083 81.189 123.82 81.1893 -136.793 GPRESSURE: 4247200 -25.3982 7.48975 170.308 46.271 -39.2409 118.403 91.651 49.189 -95.3553 PRESSAVG: 4247200 7.8563 8.51765 -18.6937 8.51764 22.3566 16.6745 -18.6936 16.6747 -12.2774 GPRESSAVG: 4247200 8.51062 8.71054 -19.9517 6.93767 21.5355 18.5053 -19.2456 17.0794 -12.629 TIMING: 4247200 CPU: 12765.2, 0.00294671/step Wall: 12765.2, 0.00294671/step, 0.616189 hours remaining, 207.406250 MB of memory in use. ENERGY: 4247200 749.0430 2035.4686 1915.5279 104.1090 -205669.5421 17652.1265 0.0000 0.0000 34433.2223 -148780.0447 300.7139 -183213.2670 -148682.5978 300.3081 -87.9979 -53.3315 559011.9681 5.9785 5.8057 PRESSURE: 4247400 -66.9313 -51.4271 -129.611 -51.4266 98.7905 -126.972 -129.609 -126.97 24.0715 GPRESSURE: 4247400 -20.1441 27.8702 -91.7612 -105.321 105.649 -156.35 -132.362 -56.2841 49.4906 PRESSAVG: 4247400 10.9773 17.8314 0.18042 17.8314 -34.0045 3.71609 0.180408 3.71609 6.63264 GPRESSAVG: 4247400 11.2241 18.5214 0.95828 19.0384 -33.4586 3.00124 2.21188 3.31967 6.06342 TIMING: 4247400 CPU: 12765.8, 0.00295435/step Wall: 12765.8, 0.00295435/step, 0.617624 hours remaining, 207.406250 MB of memory in use. ENERGY: 4247400 740.4778 2116.1641 1924.9610 108.3148 -205756.8738 17779.2862 0.0000 0.0000 34416.0840 -148671.5858 300.5642 -183087.6698 -148574.0387 300.3253 18.6436 44.9986 558798.7963 -5.4648 -5.3904 PRESSURE: 4247600 10.0853 8.96867 -18.9284 8.96861 210.63 19.4167 -18.9275 19.4165 -118.778 GPRESSURE: 4247600 69.7907 58.8061 -31.4354 33.0272 265.74 14.1054 36.0835 -1.07953 -143.794 PRESSAVG: 4247600 12.4497 1.47 17.929 1.47003 1.76085 -22.679 17.9291 -22.6789 7.33842 GPRESSAVG: 4247600 11.963 -0.555119 17.6312 -0.0717308 1.35292 -22.5228 16.5774 -22.3428 8.21191 TIMING: 4247600 CPU: 12766.4, 0.0029522/step Wall: 12766.4, 0.0029522/step, 0.61701 hours remaining, 207.406250 MB of memory in use. ENERGY: 4247600 736.0897 2119.7096 1947.0261 108.4555 -205751.3423 17813.0222 0.0000 0.0000 34275.8576 -148751.1816 299.3396 -183027.0393 -148652.7524 300.5392 33.9789 63.9124 558477.3104 7.1830 7.1759 PRESSURE: 4247800 -172.208 63.144 17.3455 63.1433 -56.728 183.231 17.3462 183.232 -23.7603 GPRESSURE: 4247800 -98.9007 96.3793 69.8668 60.6545 -34.3408 130.723 -18.3057 284.929 -27.0478 PRESSAVG: 4247800 1.5235 -45.395 -15.5474 -45.395 -17.3928 5.08749 -15.5473 5.08744 7.56007 GPRESSAVG: 4247800 1.98219 -42.8044 -15.5937 -45.3084 -17.3102 4.41991 -14.5579 4.54256 7.25632 TIMING: 4247800 CPU: 12766.9, 0.00291738/step Wall: 12766.9, 0.00291738/step, 0.609571 hours remaining, 207.406250 MB of memory in use. ENERGY: 4247800 746.0758 2066.8380 1930.9689 126.9397 -205509.2522 17547.2600 0.0000 0.0000 34369.7464 -148721.4234 300.1595 -183091.1698 -148621.3909 300.6013 -84.2320 -53.4298 557981.7984 -2.7697 -2.6906 PRESSURE: 4248000 -100.09 142.275 24.9894 142.275 134.092 -19.9173 24.9891 -19.9171 90.6726 GPRESSURE: 4248000 -41.0367 74.4548 131.248 149.144 159.019 49.0965 -40.4019 -57.3195 105.635 PRESSAVG: 4248000 9.04941 -31.208 -16.5018 -31.2079 -33.0417 1.6243 -16.5018 1.62423 27.7153 GPRESSAVG: 4248000 9.42353 -31.2782 -16.9696 -31.2414 -33.6711 0.278341 -17.748 2.82951 27.3876 TIMING: 4248000 CPU: 12767.5, 0.00295202/step Wall: 12767.5, 0.00295202/step, 0.616644 hours remaining, 207.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4248000 748.1894 2007.0878 1932.1621 111.7843 -205991.1374 17827.4962 0.0000 0.0000 34416.8974 -148947.5203 300.5713 -183364.4176 -148854.2816 300.0531 41.5583 74.5390 557583.8920 1.2410 1.0467 PRESSURE: 4248200 47.3591 -111.211 75.5753 -111.212 17.5409 74.2153 75.5747 74.2152 -10.2088 GPRESSURE: 4248200 105.096 -107.425 92.6874 -87.6264 52.836 23.0568 114.416 6.60215 6.32447 PRESSAVG: 4248200 39.9967 38.5156 -30.6856 38.5155 39.5383 65.4327 -30.6857 65.4327 -55.2834 GPRESSAVG: 4248200 40.6753 36.9767 -30.3264 40.3561 39.8105 67.056 -29.4431 64.3718 -55.2989 TIMING: 4248200 CPU: 12768.1, 0.00293532/step Wall: 12768.1, 0.00293532/step, 0.612992 hours remaining, 207.406250 MB of memory in use. ENERGY: 4248200 724.9014 2108.3792 1959.1912 116.7060 -206151.8218 17860.4067 0.0000 0.0000 34438.1637 -148944.0734 300.7570 -183382.2372 -148851.3042 299.6849 18.2304 54.7523 557943.1373 8.0839 8.3956 LDB: ============= START OF LOAD BALANCING ============== 12771.6 LDB: ============== END OF LOAD BALANCING =============== 12771.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12771.6 LDB: ============= START OF LOAD BALANCING ============== 12771.9 LDB: Largest compute 4773 load 0.029811 is 25.2% of average load 0.118085 LDB: Average compute 0.001734 is 1.5% of average load 0.118085 LDB: TIME 12771.9 LOAD: AVG 0.118085 MAX 0.202974 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.711 MB LDB: TIME 12771.9 LOAD: AVG 0.118085 MAX 0.202974 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.914 MB LDB: TIME 12771.9 LOAD: AVG 0.118085 MAX 0.202974 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.914 MB LDB: ============== END OF LOAD BALANCING =============== 12771.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12771.9 PRESSURE: 4248400 -60.9912 247.611 -29.0047 247.611 119.299 118.795 -29.0057 118.795 72.0551 GPRESSURE: 4248400 -27.4299 250.83 37.2827 219.3 203.712 79.943 -36.8971 67.6734 54.0216 PRESSAVG: 4248400 17.9491 88.6118 57.4922 88.6118 37.1909 11.048 57.4922 11.0479 -59.8756 GPRESSAVG: 4248400 17.1025 88.5607 57.6888 88.3167 37.4334 11.3089 57.6013 10.4477 -59.8676 TIMING: 4248400 CPU: 12768.7, 0.00299902/step Wall: 12768.7, 0.00299902/step, 0.626129 hours remaining, 209.527344 MB of memory in use. ENERGY: 4248400 733.5411 2118.3864 1925.1829 107.4322 -205654.7193 17781.6712 0.0000 0.0000 34070.7101 -148917.7954 297.5480 -182988.5055 -148821.4421 300.2694 43.4542 76.7680 558857.0648 -1.5785 -1.7772 PRESSURE: 4248600 -292.933 43.1203 -97.2392 43.1195 -11.9335 -64.3639 -97.24 -64.3629 -218.928 GPRESSURE: 4248600 -298.904 106.007 -156.673 46.203 17.0274 -115.57 -99.3827 -167.511 -150.383 PRESSAVG: 4248600 -32.9936 1.88799 9.52094 1.88806 61.2835 7.95332 9.52091 7.95322 -7.54993 GPRESSAVG: 4248600 -33.9846 0.528277 9.69554 1.41917 61.8306 5.75531 8.92558 10.2676 -7.13607 TIMING: 4248600 CPU: 12769.3, 0.00293308/step Wall: 12769.3, 0.00293308/step, 0.612199 hours remaining, 209.730469 MB of memory in use. ENERGY: 4248600 784.9960 2067.1352 1950.2944 114.2216 -205966.8718 17710.0618 0.0000 0.0000 34430.6580 -148909.5047 300.6915 -183340.1628 -148808.6138 299.8030 -174.5983 -144.0865 558508.0531 6.9133 6.9033 PRESSURE: 4248800 72.6361 -142.911 74.542 -142.911 38.6192 69.9002 74.5421 69.8998 -136.234 GPRESSURE: 4248800 98.3929 -103.916 118.583 -95.7636 83.4787 133.155 -6.03568 109.106 -110.759 PRESSAVG: 4248800 17.6296 -25.2511 49.6049 -25.2509 53.7075 37.1594 49.6049 37.1594 -37.481 GPRESSAVG: 4248800 18.8244 -24.2353 50.9992 -25.2182 52.3722 39.3891 49.5446 35.8877 -37.4224 TIMING: 4248800 CPU: 12769.9, 0.00294858/step Wall: 12769.9, 0.00294858/step, 0.61527 hours remaining, 209.730469 MB of memory in use. ENERGY: 4248800 715.2487 2122.3058 1932.8714 113.3663 -206063.4529 17629.8464 0.0000 0.0000 34594.5133 -148955.3009 302.1225 -183549.8142 -148857.8022 300.3070 -8.3262 23.7041 558537.5487 11.2854 11.2581 PRESSURE: 4249000 65.0643 -86.2046 -32.3307 -86.2057 -109.866 130.235 -32.3299 130.235 211.377 GPRESSURE: 4249000 64.6618 37.3143 5.21056 -87.023 -52.8748 223.907 -64.9984 59.7445 245.988 PRESSAVG: 4249000 72.6376 -55.8497 58.2488 -55.8497 26.5271 -40.6201 58.2488 -40.62 -50.1941 GPRESSAVG: 4249000 71.6768 -54.3798 56.9372 -56.5973 28.0748 -40.4634 56.142 -40.3564 -51.7428 TIMING: 4249000 CPU: 12770.5, 0.00294893/step Wall: 12770.5, 0.00294894/step, 0.615181 hours remaining, 209.730469 MB of memory in use. ENERGY: 4249000 770.0710 2166.8557 1962.3787 110.2055 -205963.2691 17848.2009 0.0000 0.0000 34369.8779 -148735.6794 300.1607 -183105.5573 -148640.0053 300.6427 55.5251 85.9251 556215.5938 16.3235 16.0029 PRESSURE: 4249200 -281.921 -23.6972 201.546 -23.6965 -208.111 95.5934 201.546 95.5923 64.4868 GPRESSURE: 4249200 -222.847 -101.452 199.738 50.2336 -179.432 142.961 246.422 31.0028 82.5952 PRESSAVG: 4249200 -7.30177 63.8667 36.8411 63.8666 -16.6164 -36.8589 36.8412 -36.8589 16.0892 GPRESSAVG: 4249200 -6.50326 62.2127 35.3931 63.7275 -17.5034 -36.0993 40.655 -37.7098 17.1209 TIMING: 4249200 CPU: 12771.1, 0.00292945/step Wall: 12771.1, 0.00292945/step, 0.610952 hours remaining, 209.730469 MB of memory in use. ENERGY: 4249200 805.1599 2098.2733 1950.3933 104.2695 -205547.5808 17582.8590 0.0000 0.0000 34147.5988 -148859.0270 298.2195 -183006.6258 -148765.6222 300.0709 -141.8484 -106.5613 558064.2209 -2.6097 -2.2952 PRESSURE: 4249400 -168.39 -68.4471 -13.7866 -68.4479 -24.3081 -66.8948 -13.7864 -66.8944 202.282 GPRESSURE: 4249400 -104.398 -110.861 -2.91422 -18.2651 -23.7645 -38.9357 84.5702 -132.113 225.68 PRESSAVG: 4249400 -16.0678 31.1284 -0.103597 31.1284 -49.6767 -5.08902 -0.103503 -5.08913 44.9726 GPRESSAVG: 4249400 -18.1225 31.8025 1.07644 32.849 -49.5199 -6.67274 -2.31033 -2.7508 45.4594 TIMING: 4249400 CPU: 12771.7, 0.00293549/step Wall: 12771.7, 0.00293549/step, 0.61205 hours remaining, 209.730469 MB of memory in use. ENERGY: 4249400 741.1376 2113.8618 1936.8748 121.9988 -206220.2846 17786.5014 0.0000 0.0000 34605.6453 -148914.2650 302.2197 -183519.9103 -148827.7708 300.9458 3.1947 32.5058 556075.6619 -6.9240 -7.3943 PRESSURE: 4249600 24.2268 -28.8867 -78.3205 -28.8862 59.7477 91.6668 -78.3199 91.6686 -98.7904 GPRESSURE: 4249600 89.6804 -74.4279 38.0752 -16.023 69.7421 160.858 -211.049 88.6516 -80.76 PRESSAVG: 4249600 51.7953 -30.361 -13.9111 -30.3609 46.2031 23.9708 -13.9111 23.9709 -48.4542 GPRESSAVG: 4249600 52.6366 -29.7335 -11.5078 -32.799 45.3187 24.7224 -13.3042 23.0011 -48.5919 TIMING: 4249600 CPU: 12772.2, 0.0029423/step Wall: 12772.2, 0.0029423/step, 0.613306 hours remaining, 209.730469 MB of memory in use. ENERGY: 4249600 732.8690 2133.4036 1940.7936 120.7840 -205673.5442 17683.6064 0.0000 0.0000 34158.8434 -148903.2442 298.3177 -183062.0876 -148805.4493 300.2516 -4.9387 26.2208 557926.7807 16.5147 16.4545 PRESSURE: 4249800 66.4668 -26.0005 122.499 -26.0002 -10.8499 -126.281 122.5 -126.281 -4.47037 GPRESSURE: 4249800 30.4117 -70.8993 195.755 -84.2105 43.7451 -172.822 105.277 -99.2611 67.443 PRESSAVG: 4249800 -4.09326 -5.74589 13.1796 -5.74592 -10.2258 11.0407 13.1796 11.0407 45.2662 GPRESSAVG: 4249800 -4.10619 -6.22 10.9861 -6.1727 -9.37045 10.4522 14.7956 12.7325 44.3405 TIMING: 4249800 CPU: 12772.8, 0.00296872/step Wall: 12772.8, 0.00296872/step, 0.618649 hours remaining, 209.730469 MB of memory in use. ENERGY: 4249800 761.8958 2112.3522 1953.3970 108.0251 -206197.2554 17864.5674 0.0000 0.0000 34311.5878 -149085.4301 299.6516 -183397.0179 -148989.3852 299.9242 17.0488 47.1999 555795.6818 10.3157 10.2879 PRESSURE: 4250000 -372.693 167.365 -116.812 167.364 -14.7674 72.1949 -116.812 72.1948 88.9472 GPRESSURE: 4250000 -297.359 212.867 -202.403 37.7975 -42.0531 143.857 -64.525 70.0541 132.518 PRESSAVG: 4250000 -2.14319 30.7676 -62.5008 30.7677 21.6385 -21.7691 -62.5007 -21.7691 -4.04696 GPRESSAVG: 4250000 -1.24498 31.7876 -63.1573 29.7838 20.8888 -21.9629 -63.2176 -25.1014 -5.02001 TIMING: 4250000 CPU: 12773.4, 0.00297108/step Wall: 12773.4, 0.00297108/step, 0.618975 hours remaining, 209.730469 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: 4250000 763.9509 2192.6940 1901.4424 116.0584 -206060.4304 17806.2823 0.0000 0.0000 34202.6779 -149077.3245 298.7005 -183280.0024 -148985.1235 299.9516 -99.5045 -68.9645 557448.4408 5.1494 4.8746 PRESSURE: 4250200 -42.8933 42.1037 82.4672 42.1037 78.1105 -99.9793 82.4676 -99.9783 59.1741 GPRESSURE: 4250200 44.5623 4.91554 32.8447 42.0589 144.195 11.1332 84.2595 -90.2286 14.6272 PRESSAVG: 4250200 -32.5023 34.3839 -24.8931 34.3838 35.8134 13.0311 -24.893 13.0311 36.2219 GPRESSAVG: 4250200 -33.0636 34.7999 -22.5622 36.8934 35.2238 14.9791 -27.6993 14.6296 37.2044 TIMING: 4250200 CPU: 12774, 0.0029639/step Wall: 12774, 0.0029639/step, 0.617315 hours remaining, 209.730469 MB of memory in use. ENERGY: 4250200 758.1600 2082.6099 1912.2484 99.9674 -206144.1450 17906.3485 0.0000 0.0000 34240.7259 -149144.0849 299.0328 -183384.8108 -149041.5326 299.7061 31.4638 67.7949 557818.1108 13.1777 13.1215 PRESSURE: 4250400 35.0117 97.0958 -65.619 97.0959 47.1225 -215.931 -65.619 -215.934 -203.676 GPRESSURE: 4250400 68.3662 37.9821 6.87326 43.3821 12.358 -175.575 -102.032 -167.411 -106.132 PRESSAVG: 4250400 7.99423 -25.7235 -56.537 -25.7235 24.8034 10.3232 -56.537 10.3233 -19.7954 GPRESSAVG: 4250400 7.79213 -28.2204 -56.7383 -26.7105 25.1876 8.07273 -55.8192 10.4817 -20.0627 TIMING: 4250400 CPU: 12774.6, 0.00299132/step Wall: 12774.6, 0.00299132/step, 0.62286 hours remaining, 209.730469 MB of memory in use. ENERGY: 4250400 761.4025 2094.6184 1924.2904 122.8404 -206315.0901 17902.6084 0.0000 0.0000 34370.7567 -149138.5733 300.1684 -183509.3300 -149050.6745 299.1498 -40.5139 -8.4692 558450.8683 4.3341 4.3057 PRESSURE: 4250600 -313.691 -107.633 92.5985 -107.632 69.7857 140.39 92.5977 140.391 -149.42 GPRESSURE: 4250600 -308.349 -59.0147 44.8426 -46.2728 109.519 52.4078 68.8421 225.348 -111.876 PRESSAVG: 4250600 43.398 -7.38538 -25.4946 -7.38539 -37.9453 -53.6096 -25.4946 -53.6098 -21.6014 GPRESSAVG: 4250600 42.0614 -4.46195 -26.6053 -7.4773 -38.0882 -54.2328 -25.1996 -51.1417 -20.3203 TIMING: 4250600 CPU: 12775.2, 0.00297962/step Wall: 12775.2, 0.00297962/step, 0.620257 hours remaining, 209.730469 MB of memory in use. ENERGY: 4250600 734.2455 2110.8802 1911.1153 116.8760 -206129.3957 17677.2127 0.0000 0.0000 34548.1922 -149030.8738 301.7180 -183579.0660 -148936.2861 299.9824 -131.1084 -103.5688 557919.3843 -5.3829 -5.4490 PRESSURE: 4250800 -173.7 54.4096 -279.747 54.4097 57.498 -137.032 -279.745 -137.032 -240.427 GPRESSURE: 4250800 -99.2686 86.129 -206.291 124.171 92.0733 -159.531 -179.13 -53.6217 -255.504 PRESSAVG: 4250800 -25.5666 32.1275 -19.9833 32.1276 15.2048 -2.83231 -19.9833 -2.83231 0.662124 GPRESSAVG: 4250800 -24.5091 29.5635 -21.2227 33.7637 16.4815 0.107109 -17.1168 -4.90946 -1.19461 TIMING: 4250800 CPU: 12775.8, 0.00302336/step Wall: 12775.8, 0.00302336/step, 0.629195 hours remaining, 209.730469 MB of memory in use. ENERGY: 4250800 768.0416 2062.8213 1948.6660 111.5097 -205986.4448 17624.5482 0.0000 0.0000 34324.0398 -149146.8182 299.7604 -183470.8580 -149049.4729 300.2438 -118.8765 -87.5666 558800.6400 -3.2332 -3.0741 PRESSURE: 4251000 19.5944 -101.577 -324.051 -101.578 -167.764 75.4009 -324.05 75.3992 -365.106 GPRESSURE: 4251000 10.4602 -74.5836 -313.432 -43.6987 -102.414 148.376 -247.014 0.893503 -325.033 PRESSAVG: 4251000 57.3151 21.6003 -35.5924 21.6003 -15.7245 61.7056 -35.5924 61.7057 -37.7006 GPRESSAVG: 4251000 57.2347 23.1878 -34.7925 21.1182 -15.9242 60.0077 -36.4651 62.6168 -37.4544 TIMING: 4251000 CPU: 12776.4, 0.00298944/step Wall: 12776.4, 0.00298944/step, 0.621969 hours remaining, 209.730469 MB of memory in use. ENERGY: 4251000 779.6923 2062.5306 1943.1740 108.2538 -205957.3444 17553.1644 0.0000 0.0000 34344.2234 -149166.3060 299.9366 -183510.5293 -149064.7410 299.7309 -171.0921 -138.9955 558438.9896 1.2967 1.2853 PRESSURE: 4251200 285.749 -137.569 -69.8342 -137.57 -184.786 83.6265 -69.8333 83.6272 -32.9716 GPRESSURE: 4251200 363.657 -125.057 -86.898 -95.925 -135.505 -43.9759 -81.8793 161.05 -53.9739 PRESSAVG: 4251200 7.80313 -40.5205 -43.6402 -40.5204 58.9894 35.3284 -43.6402 35.3284 -47.8099 GPRESSAVG: 4251200 6.76928 -41.4665 -43.1234 -40.7546 59.2807 36.975 -45.4212 32.8572 -47.271 TIMING: 4251200 CPU: 12777, 0.00299065/step Wall: 12777, 0.00299065/step, 0.622055 hours remaining, 209.972656 MB of memory in use. ENERGY: 4251200 736.2487 2170.5289 1925.4532 116.0159 -206175.2140 17844.0068 0.0000 0.0000 34196.3060 -149186.6544 298.6448 -183382.9604 -149091.4685 299.0594 22.6640 58.0594 557954.7853 6.3275 6.2596 PRESSURE: 4251400 -18.7613 -86.7132 -175.447 -86.7133 -72.411 49.9862 -175.447 49.9864 -143.91 GPRESSURE: 4251400 14.958 -49.2502 -209.03 -118.318 -21.4623 -18.4052 -234.466 25.7408 -140.199 PRESSAVG: 4251400 9.54113 -36.1563 -60.4105 -36.1563 -2.15987 27.548 -60.4105 27.5479 -46.5215 GPRESSAVG: 4251400 8.22516 -35.2809 -59.7112 -36.6476 -1.97732 24.8667 -60.0999 28.2965 -45.1336 TIMING: 4251400 CPU: 12777.6, 0.00298506/step Wall: 12777.6, 0.00298506/step, 0.620728 hours remaining, 209.972656 MB of memory in use. ENERGY: 4251400 766.4272 2096.8149 1911.9287 114.8722 -205967.5896 17636.6458 0.0000 0.0000 34227.8625 -149213.0383 298.9204 -183440.9008 -149118.2720 298.8621 -78.3608 -48.9009 557896.3021 -13.0467 -12.9619 PRESSURE: 4251600 -106.125 118.094 -35.1511 118.093 -64.4958 -83.2591 -35.152 -83.2574 -125.18 GPRESSURE: 4251600 -48.0062 87.3255 -24.2286 161.71 -85.051 -203.249 -30.0517 -57.1074 -55.6344 PRESSAVG: 4251600 37.1932 -29.0781 -9.61824 -29.0782 -7.85975 0.14709 -9.61824 0.147149 -52.4613 GPRESSAVG: 4251600 38.4981 -29.5301 -10.1315 -28.1806 -8.45451 -0.0257078 -10.5772 1.94904 -53.1494 TIMING: 4251600 CPU: 12778.2, 0.00296673/step Wall: 12778.2, 0.00296673/step, 0.616751 hours remaining, 209.972656 MB of memory in use. ENERGY: 4251600 777.6625 2082.7326 1927.8532 110.6447 -205841.8729 17652.0266 0.0000 0.0000 34057.2803 -149233.6729 297.4307 -183290.9532 -149143.0400 298.9507 -98.6004 -62.8972 558052.7156 -7.7093 -7.7019 PRESSURE: 4251800 -136.377 73.2388 -73.7026 73.2372 -49.6382 -38.2459 -73.7037 -38.2475 -269.996 GPRESSURE: 4251800 -105.301 10.324 -55.9747 47.9965 -58.5637 -20.2175 -35.1105 -13.2889 -188.831 PRESSAVG: 4251800 -45.84 10.7569 -38.094 10.7569 32.5907 -25.6019 -38.0941 -25.6019 32.9432 GPRESSAVG: 4251800 -45.8245 9.60988 -39.3577 9.69633 31.9229 -23.9576 -35.4294 -27.0381 34.353 TIMING: 4251800 CPU: 12778.8, 0.00299019/step Wall: 12778.8, 0.00299019/step, 0.621462 hours remaining, 209.972656 MB of memory in use. ENERGY: 4251800 738.3370 2098.7527 1973.4839 95.6415 -206148.4404 17618.2861 0.0000 0.0000 34378.0559 -149245.8833 300.2321 -183623.9391 -149149.5425 299.0419 -152.0037 -117.5652 558027.8109 6.5646 6.8172 PRESSURE: 4252000 260.961 137.025 -39.7425 137.025 15.994 100.116 -39.7446 100.117 141.064 GPRESSURE: 4252000 276.751 148.957 -58.7611 156.993 101.866 102.587 -78.1375 35.2257 134.031 PRESSAVG: 4252000 -18.2849 30.9779 28.5966 30.978 -35.8339 -29.7376 28.5966 -29.7375 26.0392 GPRESSAVG: 4252000 -17.774 31.9176 28.5361 32.491 -35.46 -30.9 26.5652 -28.098 25.1861 TIMING: 4252000 CPU: 12779.4, 0.003005/step Wall: 12779.4, 0.003005/step, 0.624372 hours remaining, 209.972656 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: 4252000 724.5899 2121.6666 1940.5934 106.6598 -206138.0980 17889.3859 0.0000 0.0000 34247.2755 -149107.9269 299.0900 -183355.2024 -149009.4647 299.2709 139.3395 170.8827 558457.5886 -9.3599 -9.3493 PRESSURE: 4252200 -49.8169 -79.486 89.7394 -79.4874 -116.595 -13.3784 89.7385 -13.3781 -12.3109 GPRESSURE: 4252200 -1.53677 8.66618 72.7681 -112.136 -124.667 29.7055 154.39 -20.352 31.7494 PRESSAVG: 4252200 23.0052 -49.6407 11.5115 -49.6407 -76.6477 45.3767 11.5116 45.3768 32.0716 GPRESSAVG: 4252200 23.4679 -49.6378 9.70217 -51.5239 -76.6841 46.1289 10.8241 42.7626 30.8965 TIMING: 4252200 CPU: 12780, 0.00298698/step Wall: 12780, 0.00298698/step, 0.620462 hours remaining, 209.972656 MB of memory in use. ENERGY: 4252200 723.8633 2105.1849 1941.6115 121.9281 -205817.3428 17595.6427 0.0000 0.0000 34349.4073 -148979.7050 299.9819 -183329.1123 -148888.9388 299.6516 -59.5741 -31.4847 558816.4341 -7.1903 -7.4399 LDB: ============= START OF LOAD BALANCING ============== 12783.5 LDB: ============== END OF LOAD BALANCING =============== 12783.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12783.5 LDB: ============= START OF LOAD BALANCING ============== 12783.8 LDB: Largest compute 4773 load 0.028462 is 24.1% of average load 0.118191 LDB: Average compute 0.001738 is 1.5% of average load 0.118191 LDB: TIME 12783.8 LOAD: AVG 0.118191 MAX 0.208965 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 12783.8 LOAD: AVG 0.118191 MAX 0.208965 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.441 MB LDB: TIME 12783.8 LOAD: AVG 0.118191 MAX 0.208965 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.441 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12783.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12783.8 PRESSURE: 4252400 172.996 87.6344 48.2561 87.6349 4.49025 -80.1387 48.2569 -80.1376 -161.372 GPRESSURE: 4252400 163.046 -14.644 84.8035 123.392 42.0139 -46.1477 35.4069 -107.183 -89.255 PRESSAVG: 4252400 24.3676 -9.58916 62.8388 -9.58921 -15.3902 59.3808 62.8388 59.3808 -0.760803 GPRESSAVG: 4252400 23.8183 -10.4536 66.0366 -7.82915 -15.1657 59.1087 61.6551 59.7803 -0.121145 TIMING: 4252400 CPU: 12780.6, 0.00305684/step Wall: 12780.6, 0.00305684/step, 0.634804 hours remaining, 209.445312 MB of memory in use. ENERGY: 4252400 753.1707 2063.9953 1917.8698 109.6814 -206503.4495 17911.9003 0.0000 0.0000 34621.3757 -149125.4563 302.3571 -183746.8320 -149024.8385 299.6637 5.3714 38.6017 556734.5752 2.7389 2.8438 PRESSURE: 4252600 -76.3001 -74.9442 -149.287 -74.9447 -136.606 -12.8243 -149.288 -12.8237 213.669 GPRESSURE: 4252600 -79.2484 -39.232 -161.14 -69.3157 -59.1999 -25.4881 -167.823 34.2849 220.363 PRESSAVG: 4252600 -43.2233 -16.166 25.6497 -16.166 14.5163 -20.2844 25.6497 -20.2845 52.1952 GPRESSAVG: 4252600 -43.4118 -16.0682 23.691 -15.3323 13.9583 -20.9841 28.0553 -18.9396 53.221 TIMING: 4252600 CPU: 12781.2, 0.0029828/step Wall: 12781.2, 0.0029828/step, 0.619263 hours remaining, 209.648438 MB of memory in use. ENERGY: 4252600 747.3594 2133.9715 1969.8234 98.7261 -206351.6123 17895.9078 0.0000 0.0000 34463.3499 -149042.4743 300.9770 -183505.8241 -148946.5480 300.0835 0.2541 27.3050 558158.0291 7.8294 7.9225 PRESSURE: 4252800 -316.667 -89.4352 82.3722 -89.4363 -415.403 -28.3869 82.372 -28.3868 -323.83 GPRESSURE: 4252800 -285.444 -81.2078 25.8092 41.0997 -360.547 30.5719 49.9691 -62.5033 -307.549 PRESSAVG: 4252800 -27.6335 -57.0078 -2.08089 -57.0078 24.586 39.2451 -2.08093 39.245 -14.9741 GPRESSAVG: 4252800 -26.0138 -55.3993 0.205849 -57.9748 23.9587 39.8294 -3.46808 39.9603 -16.2701 TIMING: 4252800 CPU: 12781.8, 0.00295831/step Wall: 12781.8, 0.00295831/step, 0.614013 hours remaining, 209.648438 MB of memory in use. ENERGY: 4252800 753.8299 2058.4947 1932.0958 99.7849 -205864.4253 17506.2374 0.0000 0.0000 34349.4084 -149164.5743 299.9819 -183513.9827 -149065.4344 299.3606 -351.9669 -317.8467 559730.2216 -6.0072 -6.1084 PRESSURE: 4253000 -26.6461 -151.249 -140.525 -151.249 155.013 -125.692 -140.523 -125.692 -143.711 GPRESSURE: 4253000 -9.33526 -186.072 -64.7018 -112.267 152.602 -30.2962 -154.582 -220.089 -61.0124 PRESSAVG: 4253000 -25.8535 -21.5903 4.37682 -21.5902 2.89223 11.2167 4.37681 11.2168 -12.3358 GPRESSAVG: 4253000 -27.603 -22.4272 4.92158 -18.7915 3.09098 12.0208 5.58138 9.41846 -10.4791 TIMING: 4253000 CPU: 12782.4, 0.00296066/step Wall: 12782.4, 0.00296066/step, 0.614336 hours remaining, 209.648438 MB of memory in use. ENERGY: 4253000 723.1754 2071.9441 1906.0358 111.0104 -206362.7489 17903.4649 0.0000 0.0000 34246.5111 -149400.6073 299.0833 -183647.1183 -149293.9749 299.1432 -5.1148 27.4180 557429.1786 -11.7657 -11.6637 PRESSURE: 4253200 101.962 -107.116 -40.3229 -107.115 133.069 50.8311 -40.3235 50.831 199.739 GPRESSURE: 4253200 116.553 -129.861 -24.0996 -30.5047 161.955 -23.8923 -97.7065 150.766 241.041 PRESSAVG: 4253200 -82.6232 -16.3521 21.1343 -16.3521 -23.5476 -7.40618 21.1342 -7.40627 40.0039 GPRESSAVG: 4253200 -82.1937 -14.8196 18.6268 -20.1925 -23.1078 -7.518 18.6124 -7.20152 39.0295 TIMING: 4253200 CPU: 12783, 0.00297992/step Wall: 12783, 0.00297992/step, 0.618167 hours remaining, 209.648438 MB of memory in use. ENERGY: 4253200 708.8938 2082.7367 1931.0979 117.4471 -206153.2565 17833.9743 0.0000 0.0000 34055.7948 -149423.3119 297.4177 -183479.1067 -149328.3693 298.1033 144.9233 173.1831 558052.5076 -22.0557 -22.0907 PRESSURE: 4253400 189.107 -262.624 -3.1162 -262.624 6.52148 -13.8642 -3.11693 -13.864 42.645 GPRESSURE: 4253400 166.02 -249.887 -4.04574 -252.861 57.2322 20.9099 41.2074 -75.6428 96.7026 PRESSAVG: 4253400 -71.7525 4.16276 70.0569 4.1627 27.6464 7.87412 70.0569 7.87408 88.375 GPRESSAVG: 4253400 -72.5874 5.41548 71.9372 3.98518 28.2483 7.93746 71.8488 8.29479 88.8958 TIMING: 4253400 CPU: 12783.6, 0.0029811/step Wall: 12783.6, 0.0029811/step, 0.618247 hours remaining, 209.648438 MB of memory in use. ENERGY: 4253400 726.9164 2060.7604 1921.3085 122.9675 -206440.5104 18082.0953 0.0000 0.0000 34202.9527 -149323.5096 298.7029 -183526.4623 -149236.8459 298.8976 79.4244 106.6516 557319.7270 14.7563 14.8522 PRESSURE: 4253600 -17.1853 66.9979 89.6791 66.999 15.1423 68.6292 89.6781 68.628 11.4567 GPRESSURE: 4253600 -85.0705 23.7455 -42.0235 44.6939 95.8777 122.678 128.969 101.011 111.474 PRESSAVG: 4253600 -36.6757 -11.0111 38.4376 -11.0111 7.89159 87.656 38.4376 87.6559 53.8178 GPRESSAVG: 4253600 -35.9569 -11.4574 39.036 -9.00537 8.2593 88.3 37.5882 87.2846 52.904 TIMING: 4253600 CPU: 12784.2, 0.00297673/step Wall: 12784.2, 0.00297673/step, 0.617175 hours remaining, 209.648438 MB of memory in use. ENERGY: 4253600 764.3842 2113.0566 1927.6907 114.7119 -206310.4869 17871.9469 0.0000 0.0000 34245.2989 -149273.3975 299.0727 -183518.6965 -149177.5909 299.2798 3.1379 40.7602 557538.2607 8.3446 8.4021 PRESSURE: 4253800 85.108 -89.9484 23.0313 -89.949 -163.979 119.148 23.0324 119.147 -30.0423 GPRESSURE: 4253800 121.072 -85.6676 29.7643 -152.793 -135.342 116.217 88.0007 53.6372 1.90022 PRESSAVG: 4253800 -49.9258 16.6971 -8.38209 16.697 23.9203 100.96 -8.38207 100.96 20.2372 GPRESSAVG: 4253800 -49.3348 14.264 -10.3139 17.9368 22.662 100.176 -5.2857 102.077 20.6902 TIMING: 4253800 CPU: 12784.8, 0.00294764/step Wall: 12784.8, 0.00294764/step, 0.610981 hours remaining, 209.648438 MB of memory in use. ENERGY: 4253800 719.8996 2048.5687 1918.6473 106.7337 -206233.9809 17614.8081 0.0000 0.0000 34442.5353 -149382.7882 300.7952 -183825.3236 -149278.3569 299.0775 -36.3044 -4.1233 557121.5738 -1.9228 -1.9942 PRESSURE: 4254000 -64.2481 -64.1923 159.32 -64.1936 -18.666 33.2897 159.32 33.2896 -177.469 GPRESSURE: 4254000 -43.2568 -21.6205 156.662 27.8578 41.4171 -21.3886 189.159 6.13191 -162.478 PRESSAVG: 4254000 -65.226 -12.1915 46.8712 -12.1916 -0.27574 14.2232 46.8711 14.2233 23.6157 GPRESSAVG: 4254000 -66.578 -12.5919 48.6751 -12.9105 0.32048 15.7104 44.6325 13.4688 24.2912 TIMING: 4254000 CPU: 12785.4, 0.00295908/step Wall: 12785.4, 0.00295908/step, 0.613186 hours remaining, 209.648438 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: 4254000 784.1274 2096.0475 1924.9568 97.4474 -206582.7512 17826.1931 0.0000 0.0000 34324.1615 -149529.8175 299.7614 -183853.9790 -149429.8117 299.0721 -86.7945 -54.7725 558162.0122 -13.9620 -13.9888 PRESSURE: 4254200 302.944 89.5422 17.4748 89.542 -17.0504 7.36025 17.4755 7.36082 -32.0732 GPRESSURE: 4254200 311.397 52.623 -54.5454 143.423 67.0018 29.0528 -10.5902 80.9292 -34.0233 PRESSAVG: 4254200 12.1621 25.3273 45.3317 25.3273 -22.7327 -9.60076 45.3317 -9.60063 -17.4145 GPRESSAVG: 4254200 13.712 26.5526 44.0004 24.6649 -23.7073 -9.95704 45.6595 -9.01501 -18.0874 TIMING: 4254200 CPU: 12786, 0.00295006/step Wall: 12786, 0.00295006/step, 0.611153 hours remaining, 209.648438 MB of memory in use. ENERGY: 4254200 765.0046 2129.2228 1914.4914 112.1060 -206228.2626 17888.5368 0.0000 0.0000 33962.3169 -149456.5841 296.6014 -183418.9009 -149359.2916 298.3788 84.6069 114.7919 558254.8249 -9.3284 -9.3609 PRESSURE: 4254400 -121.838 81.3212 112.282 81.32 67.1163 -106.903 112.282 -106.903 64.6402 GPRESSURE: 4254400 -71.4319 87.3385 99.422 135 102.199 -182.864 57.0025 -57.0449 82.2971 PRESSAVG: 4254400 -10.5059 22.8747 9.87806 22.8747 26.3467 -7.57356 9.87795 -7.57343 -15.5308 GPRESSAVG: 4254400 -10.6472 21.1191 6.46562 23.0462 27.2184 -8.0515 12.9968 -7.04267 -16.4128 TIMING: 4254400 CPU: 12786.5, 0.00294547/step Wall: 12786.5, 0.00294547/step, 0.61004 hours remaining, 209.648438 MB of memory in use. ENERGY: 4254400 751.6581 2035.1324 1927.7967 126.3701 -206498.3939 17924.0364 0.0000 0.0000 34073.0185 -149660.3818 297.5681 -183733.4003 -149570.5350 298.9366 3.3061 37.6879 558469.0171 0.1033 0.0528 PRESSURE: 4254600 -7.84399 50.0771 5.16002 50.0769 10.1233 -112.789 5.16028 -112.788 34.2734 GPRESSURE: 4254600 39.3494 31.3572 62.574 23.0425 78.2739 -140.742 -34.0574 -172.594 21.2259 PRESSAVG: 4254600 42.6614 11.8577 8.8162 11.8575 32.0553 -17.8786 8.81622 -17.8786 -32.401 GPRESSAVG: 4254600 43.4119 12.442 11.6596 12.2391 33.1444 -20.0016 7.74415 -20.7631 -33.1939 TIMING: 4254600 CPU: 12787.1, 0.0029574/step Wall: 12787.1, 0.0029574/step, 0.612347 hours remaining, 209.648438 MB of memory in use. ENERGY: 4254600 781.7351 2043.6643 1919.1146 113.3131 -206826.7098 18171.3914 0.0000 0.0000 34188.6945 -149608.7967 298.5784 -183797.4913 -149509.2728 298.4647 12.1842 46.2830 557950.8989 14.1052 14.4541 PRESSURE: 4254800 -335.62 -87.7726 31.1003 -87.7732 -113.781 158.13 31.1004 158.129 66.1534 GPRESSURE: 4254800 -256.819 -123.768 39.0876 -58.4905 -107.86 155.341 49.3497 140.895 70.7171 PRESSAVG: 4254800 10.6536 -0.548408 -26.2694 -0.548506 -51.1836 -44.0264 -26.2696 -44.0263 55.6368 GPRESSAVG: 4254800 9.71161 1.26685 -23.28 -0.908407 -52.1716 -42.4789 -28.6144 -43.0377 57.2058 TIMING: 4254800 CPU: 12787.7, 0.00295437/step Wall: 12787.7, 0.00295437/step, 0.611554 hours remaining, 209.648438 MB of memory in use. ENERGY: 4254800 713.6510 2085.2653 1948.6382 113.9545 -206439.2364 17715.1106 0.0000 0.0000 34051.9639 -149810.6528 297.3843 -183862.6167 -149713.1377 298.0302 -127.7492 -97.9873 558194.2433 5.0356 4.9153 PRESSURE: 4255000 -87.3951 87.5435 -44.0928 87.5426 4.67231 66.808 -44.0938 66.8075 42.0197 GPRESSURE: 4255000 19.8947 47.9286 -91.2301 35.4026 -3.7176 5.99259 21.1938 -28.0081 42.9825 PRESSAVG: 4255000 -5.20845 26.7464 48.6549 26.7464 -72.9642 -8.10707 48.6549 -8.1073 109.661 GPRESSAVG: 4255000 -5.65327 25.7133 46.2028 25.8196 -72.9345 -8.30455 50.3368 -7.235 109.944 TIMING: 4255000 CPU: 12788.3, 0.00296713/step Wall: 12788.3, 0.00296713/step, 0.614031 hours remaining, 209.648438 MB of memory in use. ENERGY: 4255000 735.8477 2110.7810 1920.2520 104.4965 -206509.4566 17843.2371 0.0000 0.0000 34213.9764 -149580.8659 298.7992 -183794.8422 -149487.3191 298.4349 -13.5677 19.7199 558069.1949 10.4962 10.4521 PRESSURE: 4255200 65.0172 2.83444 -13.6244 2.83566 25.6106 52.6469 -13.624 52.6456 -292.236 GPRESSURE: 4255200 36.2661 -0.00605289 -78.5848 -72.5225 91.0911 79.0089 2.57735 97.2912 -227.634 PRESSAVG: 4255200 47.4418 3.95783 8.45696 3.9579 -45.4306 29.7961 8.45704 29.796 13.5411 GPRESSAVG: 4255200 46.2304 3.58632 8.33384 5.68937 -43.9346 29.7 7.95227 31.4777 12.9426 TIMING: 4255200 CPU: 12788.9, 0.0029595/step Wall: 12788.9, 0.0029595/step, 0.612287 hours remaining, 209.648438 MB of memory in use. ENERGY: 4255200 773.3338 2074.1519 1926.0565 107.4366 -206468.5817 17773.5669 0.0000 0.0000 34106.9129 -149707.1232 297.8642 -183814.0361 -149612.0218 297.9027 -67.2028 -33.4257 556035.7330 5.1841 5.0795 PRESSURE: 4255400 -166.965 -173.866 24.8809 -173.865 19.207 -114.701 24.8802 -114.704 -6.80189 GPRESSURE: 4255400 -154.996 -116.478 13.5741 -152.952 48.2456 -68.5957 75.9973 -125.417 40.9405 PRESSAVG: 4255400 -27.1771 3.14784 38.2847 3.14781 32.7578 -14.2881 38.2846 -14.2881 -13.1399 GPRESSAVG: 4255400 -26.4191 4.66663 38.8155 2.1185 30.9289 -15.018 38.3544 -15.0613 -12.5325 TIMING: 4255400 CPU: 12789.5, 0.00296376/step Wall: 12789.5, 0.00296376/step, 0.613004 hours remaining, 209.648438 MB of memory in use. ENERGY: 4255400 762.8785 2100.6622 1939.5889 106.6787 -206079.6154 17601.3216 0.0000 0.0000 33898.3337 -149670.1517 296.0426 -183568.4854 -149575.0037 297.9661 -51.5199 -21.9366 556855.7545 -2.5197 -2.6742 PRESSURE: 4255600 155.887 -2.80921 -2.07766 -2.80956 -152.737 -141.284 -2.07761 -141.284 140.289 GPRESSURE: 4255600 227.829 14.9753 9.07178 7.64367 -63.6474 -149.536 58.4555 -124.797 95.756 PRESSAVG: 4255600 -41.581 30.3117 4.59741 30.3117 -27.5279 -1.00898 4.59736 -1.00897 65.8315 GPRESSAVG: 4255600 -42.4951 29.2818 3.36855 29.9883 -26.3852 0.436793 6.54389 -2.92024 65.4474 TIMING: 4255600 CPU: 12790.1, 0.00297047/step Wall: 12790.1, 0.00297047/step, 0.614227 hours remaining, 209.648438 MB of memory in use. ENERGY: 4255600 746.6763 2112.3843 1932.8562 119.7192 -206627.3721 17965.7390 0.0000 0.0000 34025.8818 -149724.1153 297.1565 -183749.9971 -149633.8877 297.7268 47.8129 86.6458 558056.6187 -1.0925 -1.1443 PRESSURE: 4255800 44.3101 135.646 101.228 135.646 53.1928 -161.013 101.228 -161.013 12.6805 GPRESSURE: 4255800 39.7856 124.399 71.3449 132.276 64.1461 -201.823 106.327 -180.457 109.055 PRESSAVG: 4255800 -3.77628 9.15507 16.9915 9.15518 -32.665 -48.0739 16.9915 -48.0738 19.0489 GPRESSAVG: 4255800 -3.14308 10.7962 17.6677 9.13225 -33.7526 -49.3203 16.7088 -46.9594 19.9766 TIMING: 4255800 CPU: 12790.7, 0.00297787/step Wall: 12790.7, 0.00297787/step, 0.615591 hours remaining, 209.648438 MB of memory in use. ENERGY: 4255800 752.9893 2086.0367 1940.7020 111.7262 -206677.9800 18115.2550 0.0000 0.0000 34178.3000 -149492.9707 298.4876 -183671.2707 -149401.6271 297.5969 36.7278 70.9956 558396.2732 -5.7975 -5.6397 PRESSURE: 4256000 -53.8405 -182.243 -141.956 -182.244 -197.971 -11.2011 -141.956 -11.202 266.691 GPRESSURE: 4256000 57.726 -188.941 -122.458 -116.589 -199.055 25.9343 -201.845 -1.32525 243.283 PRESSAVG: 4256000 14.6967 -15.6325 -6.40178 -15.6324 7.94517 -25.6423 -6.40179 -25.6424 -30.8817 GPRESSAVG: 4256000 15.7771 -14.6193 -3.5425 -16.1965 7.25137 -24.7266 -9.9655 -27.0333 -31.6227 TIMING: 4256000 CPU: 12791.3, 0.00297633/step Wall: 12791.3, 0.00297633/step, 0.615108 hours remaining, 209.648438 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: 4256000 759.7273 2068.6539 1953.8208 124.5693 -206756.0309 18173.8988 0.0000 0.0000 34197.9588 -149477.4020 298.6593 -183675.3608 -149375.8684 298.9195 4.9598 33.9849 557748.6106 -2.7466 -2.8648 PRESSURE: 4256200 -78.4563 -3.18656 -23.1089 -3.18571 -315.455 120.453 -23.1088 120.454 21.0145 GPRESSURE: 4256200 -40.2416 40.0412 -1.09836 -58.5078 -308.679 93.2455 -4.18463 83.8666 66.5759 PRESSAVG: 4256200 -4.03856 1.01401 -19.7889 1.01418 -15.5084 -7.49404 -19.789 -7.49401 3.92839 GPRESSAVG: 4256200 -5.15089 0.438812 -22.4231 0.828562 -14.7667 -7.93111 -18.4401 -7.27652 4.12892 TIMING: 4256200 CPU: 12791.9, 0.00297835/step Wall: 12791.9, 0.00297835/step, 0.61536 hours remaining, 209.648438 MB of memory in use. ENERGY: 4256200 719.5071 2099.3931 1947.0524 112.9643 -205902.2853 17463.3486 0.0000 0.0000 34110.9441 -149449.0757 297.8994 -183560.0198 -149352.7437 298.9743 -124.2988 -94.1149 557007.3944 -5.2062 -5.2629 LDB: ============= START OF LOAD BALANCING ============== 12795.4 LDB: ============== END OF LOAD BALANCING =============== 12795.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12795.4 LDB: ============= START OF LOAD BALANCING ============== 12795.7 LDB: Largest compute 4773 load 0.028946 is 24.5% of average load 0.118155 LDB: Average compute 0.001726 is 1.5% of average load 0.118155 LDB: TIME 12795.7 LOAD: AVG 0.118155 MAX 0.204952 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.633 MB LDB: TIME 12795.7 LOAD: AVG 0.118155 MAX 0.204952 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.633 MB LDB: TIME 12795.7 LOAD: AVG 0.118155 MAX 0.204952 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.633 MB LDB: ============== END OF LOAD BALANCING =============== 12795.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12795.7 PRESSURE: 4256400 28.4582 -282.739 39.2256 -282.74 -214.018 72.2126 39.226 72.2121 -319.588 GPRESSURE: 4256400 90.169 -233.527 122.011 -270.316 -190.952 113.852 -30.4179 18.7031 -295.347 PRESSAVG: 4256400 -7.27881 -26.1752 12.243 -26.1751 41.463 45.2816 12.2431 45.2814 -51.8899 GPRESSAVG: 4256400 -7.72656 -28.4403 11.9211 -23.5944 42.3374 45.9609 12.3094 45.4631 -52.4702 TIMING: 4256400 CPU: 12792.5, 0.00301339/step Wall: 12792.5, 0.00301339/step, 0.622432 hours remaining, 209.429688 MB of memory in use. ENERGY: 4256400 726.3314 2061.8890 1930.9421 114.8752 -205739.9209 17486.7077 0.0000 0.0000 34135.7116 -149283.4640 298.1157 -183419.1755 -149187.0703 299.2428 -168.3826 -132.0431 556749.5510 -5.9019 -5.9531 PRESSURE: 4256600 -61.0225 84.5942 169.39 84.5949 2.13808 -79.2566 169.389 -79.2565 63.1259 GPRESSURE: 4256600 -46.6091 3.43037 153.683 157.766 64.1584 -37.8122 166.634 -77.5658 82.478 PRESSAVG: 4256600 -29.0397 -43.4972 -9.18425 -43.4973 4.22789 -18.8747 -9.18433 -18.8748 22.1807 GPRESSAVG: 4256600 -29.5892 -44.1132 -10.6215 -41.6567 4.71657 -19.4368 -8.08594 -19.7157 22.1365 TIMING: 4256600 CPU: 12793.1, 0.00299709/step Wall: 12793.1, 0.00299709/step, 0.6189 hours remaining, 209.632812 MB of memory in use. ENERGY: 4256600 745.0654 2072.6342 1924.1557 111.4532 -206291.3784 17809.0035 0.0000 0.0000 34244.6485 -149384.4178 299.0670 -183629.0663 -149283.9530 299.1993 1.4138 33.3424 555924.8993 -0.8770 -0.9121 PRESSURE: 4256800 -315.467 -22.819 25.6742 -22.8195 -59.8028 -79.5139 25.6716 -79.5143 -106.48 GPRESSURE: 4256800 -258.161 14.3503 51.0639 -44.134 -45.2324 -31.7016 -49.5212 -110.488 -89.34 PRESSAVG: 4256800 7.34984 -3.49485 21.0592 -3.49491 18.371 -18.772 21.0593 -18.7719 -40.4165 GPRESSAVG: 4256800 7.98282 -2.41262 22.1927 -7.45024 17.518 -19.557 20.9268 -17.5837 -40.7809 TIMING: 4256800 CPU: 12793.7, 0.00303001/step Wall: 12793.7, 0.00303001/step, 0.62553 hours remaining, 209.632812 MB of memory in use. ENERGY: 4256800 748.3130 2117.4921 1958.6153 119.7511 -205941.2774 17471.2879 0.0000 0.0000 34177.4077 -149348.4104 298.4798 -183525.8181 -149252.1049 299.0940 -160.5833 -130.9110 556826.2534 -4.8985 -5.0934 PRESSURE: 4257000 -358.349 118.643 -49.006 118.643 -403.895 55.7514 -49.0063 55.7523 -109.721 GPRESSURE: 4257000 -363.555 132.07 -6.26906 117.078 -376.896 209.757 -117.228 -3.98204 -38.4516 PRESSAVG: 4257000 -21.1274 2.39634 2.09878 2.39634 20.2098 1.53081 2.09881 1.53082 44.4975 GPRESSAVG: 4257000 -21.4572 1.45419 3.71924 3.88477 18.7503 2.22565 1.13827 1.32794 46.4278 TIMING: 4257000 CPU: 12794.3, 0.00300294/step Wall: 12794.3, 0.00300294/step, 0.619774 hours remaining, 209.632812 MB of memory in use. ENERGY: 4257000 757.3965 2097.3186 1930.9455 123.8037 -205975.6735 17491.3423 0.0000 0.0000 34161.6852 -149413.1817 298.3425 -183574.8669 -149312.6559 298.6628 -290.6551 -259.6340 558543.3952 14.5266 14.5736 PRESSURE: 4257200 206.928 -69.9144 -47.0995 -69.914 18.9758 -67.2709 -47.1002 -67.2701 -111.237 GPRESSURE: 4257200 257.098 -128.174 -11.9502 39.5643 71.1516 -121.074 -6.94307 -96.9602 -111.145 PRESSAVG: 4257200 49.4352 49.5945 -39.9154 49.5945 -20.2595 -10.5628 -39.9155 -10.5629 -20.8697 GPRESSAVG: 4257200 50.6552 51.0779 -38.4584 49.2421 -20.4835 -11.5732 -40.6965 -10.2787 -21.6036 TIMING: 4257200 CPU: 12794.9, 0.00300044/step Wall: 12794.9, 0.00300044/step, 0.619091 hours remaining, 209.632812 MB of memory in use. ENERGY: 4257200 750.3932 2094.3717 1949.8917 105.3555 -206441.5268 17828.2114 0.0000 0.0000 34464.9824 -149248.3209 300.9913 -183713.3033 -149141.1784 299.0343 38.2225 72.3682 556906.0763 2.7687 2.8560 PRESSURE: 4257400 26.2467 51.9931 -148.372 51.9917 -0.254935 -50.7532 -148.371 -50.7545 -101.966 GPRESSURE: 4257400 9.25372 -13.2843 -186.227 63.5325 94.1197 -73.7717 -124.084 17.5637 -83.8155 PRESSAVG: 4257400 39.6069 -24.5414 -39.4104 -24.5414 -7.26398 4.87486 -39.4104 4.87488 -47.3708 GPRESSAVG: 4257400 39.7813 -26.3784 -41.06 -24.0948 -7.17888 7.38515 -38.4439 4.04329 -48.34 TIMING: 4257400 CPU: 12795.5, 0.00301472/step Wall: 12795.5, 0.00301472/step, 0.62187 hours remaining, 209.632812 MB of memory in use. ENERGY: 4257400 722.7380 2047.7391 1927.7412 121.7483 -206174.5706 17798.1698 0.0000 0.0000 34346.9483 -149209.4858 299.9604 -183556.4341 -149109.6320 299.6977 -25.3249 6.5193 557840.3910 -5.0093 -5.2459 PRESSURE: 4257600 57.8384 -39.4736 -78.6862 -39.474 239.103 164.947 -78.6873 164.947 240.554 GPRESSURE: 4257600 151.933 -57.8803 -146.008 -38.6059 253.46 152.661 -67.2072 198.631 224.419 PRESSAVG: 4257600 18.2041 28.4881 25.3331 28.4881 -18.1642 81.4255 25.3331 81.4255 34.0118 GPRESSAVG: 4257600 17.4433 29.5334 24.556 27.554 -16.9488 79.1197 26.3902 82.93 34.1115 TIMING: 4257600 CPU: 12796.1, 0.00298021/step Wall: 12796.1, 0.00298021/step, 0.614586 hours remaining, 209.632812 MB of memory in use. ENERGY: 4257600 731.7978 2103.1744 1928.3638 110.2139 -206693.7861 18145.0932 0.0000 0.0000 34402.2506 -149272.8925 300.4434 -183675.1431 -149172.2283 299.9868 179.1651 209.9372 555954.8358 11.3506 11.5353 PRESSURE: 4257800 -42.2077 32.3663 -113.682 32.3663 -27.9445 -26.9398 -113.682 -26.9392 -94.3735 GPRESSURE: 4257800 34.9405 52.8419 -53.3565 74.9469 -58.9933 -49.8797 -111.439 -0.980559 -28.5121 PRESSAVG: 4257800 48.9829 -30.4854 18.9346 -30.4854 17.9056 32.0036 18.9346 32.0036 -84.7669 GPRESSAVG: 4257800 49.2591 -31.3354 20.3755 -30.1157 16.9757 33.5939 17.1804 33.7459 -84.0954 TIMING: 4257800 CPU: 12796.7, 0.00297001/step Wall: 12796.7, 0.00297001/step, 0.612316 hours remaining, 209.632812 MB of memory in use. ENERGY: 4257800 762.8579 2119.7056 1940.6699 103.8329 -206455.0063 17854.6819 0.0000 0.0000 34366.7477 -149306.5104 300.1334 -183673.2581 -149207.4114 299.6089 -54.8419 -17.5216 556185.1402 -5.9595 -5.9535 PRESSURE: 4258000 -256.314 167.705 64.9663 167.706 48.9012 -77.4124 64.9653 -77.4129 -150.953 GPRESSURE: 4258000 -205.595 188.938 42.3985 114.366 82.1136 -93.9428 -1.62271 -131.993 -149.873 PRESSAVG: 4258000 -13.212 -0.363209 -1.84108 -0.363277 -23.7946 -42.7165 -1.84116 -42.7164 31.0108 GPRESSAVG: 4258000 -13.9501 -0.185527 -2.81713 0.52155 -23.3705 -42.2358 -1.26464 -43.0312 30.8418 TIMING: 4258000 CPU: 12797.3, 0.00296652/step Wall: 12797.3, 0.00296652/step, 0.611433 hours remaining, 209.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4258000 760.8333 2123.9040 1942.2381 106.4416 -206637.4514 17870.5576 0.0000 0.0000 34397.3166 -149436.1602 300.4003 -183833.4769 -149341.6963 298.8007 -119.4551 -91.1182 556575.1403 -1.9986 -2.1596 PRESSURE: 4258200 1.37082 -128.373 -5.6734 -128.374 -88.7661 94.7093 -5.67332 94.7081 -178.381 GPRESSURE: 4258200 8.43867 -116.643 20.7714 -125.561 -38.0655 87.0911 -7.69483 161.143 -141.848 PRESSAVG: 4258200 54.1721 -24.5563 39.0097 -24.5565 -13.2617 -60.7327 39.0097 -60.7327 5.28238 GPRESSAVG: 4258200 54.9469 -23.8899 38.7376 -25.2543 -12.831 -62.0519 40.0227 -60.3936 4.28435 TIMING: 4258200 CPU: 12797.9, 0.00298045/step Wall: 12797.9, 0.00298045/step, 0.614138 hours remaining, 209.632812 MB of memory in use. ENERGY: 4258200 775.6152 2112.6572 1953.6425 101.2834 -206213.9197 17738.2686 0.0000 0.0000 34047.3391 -149485.1136 297.3439 -183532.4527 -149389.7864 299.0387 -88.5922 -57.1583 557260.0406 15.3976 15.4667 PRESSURE: 4258400 143.467 -51.769 48.4938 -51.7692 -25.4016 -61.8839 48.4931 -61.8842 -56.8298 GPRESSURE: 4258400 122.415 -46.9054 68.4515 -61.6801 -6.5097 -10.4591 25.357 -78.5348 47.3574 PRESSAVG: 4258400 35.6039 3.1256 28.23 3.1255 -51.9119 7.83221 28.23 7.83222 3.31166 GPRESSAVG: 4258400 35.2083 4.46397 27.5192 -1.08221 -51.7836 8.83905 27.4459 5.98091 4.14985 TIMING: 4258400 CPU: 12798.5, 0.00296054/step Wall: 12798.5, 0.00296054/step, 0.609872 hours remaining, 209.632812 MB of memory in use. ENERGY: 4258400 745.1896 2068.1620 1940.7669 122.0397 -206457.2943 17931.0788 0.0000 0.0000 34125.1627 -149524.8946 298.0235 -183650.0573 -149432.5016 298.1718 20.4120 54.4210 557401.5547 -4.3321 -4.1418 PRESSURE: 4258600 10.8386 17.9698 20.0327 17.971 129.426 -37.496 20.0322 -37.4961 20.2842 GPRESSURE: 4258600 87.6546 19.473 -13.3446 -52.8548 165.02 2.74718 -119.719 -42.0593 9.0894 PRESSAVG: 4258600 -34.4129 -19.4026 4.22751 -19.4026 20.799 17.6577 4.22748 17.6577 -6.01801 GPRESSAVG: 4258600 -33.5552 -18.2344 4.04062 -16.3598 21.3491 15.2918 4.25881 20.1173 -7.3298 TIMING: 4258600 CPU: 12799.1, 0.00296826/step Wall: 12799.1, 0.00296826/step, 0.611296 hours remaining, 209.632812 MB of memory in use. ENERGY: 4258600 753.9596 2107.9749 1923.6969 107.9412 -206870.3452 18248.4390 0.0000 0.0000 34226.1768 -149502.1567 298.9057 -183728.3335 -149409.2535 298.1436 53.5163 87.2546 557346.7347 -6.5440 -6.5120 PRESSURE: 4258800 5.15905 64.0228 -40.711 64.024 -62.9452 34.0447 -40.7098 34.0455 41.1627 GPRESSURE: 4258800 29.6073 113.695 -48.4699 45.5569 -46.2443 110.709 -10.5015 121.866 99.3416 PRESSAVG: 4258800 -14.0806 21.1415 -19.5056 21.1416 -53.4022 60.5378 -19.5055 60.5377 26.4559 GPRESSAVG: 4258800 -14.6198 20.5453 -18.3859 21.0655 -54.6536 63.3916 -19.2183 58.9811 28.2713 TIMING: 4258800 CPU: 12799.7, 0.00296668/step Wall: 12799.7, 0.00296668/step, 0.610807 hours remaining, 209.632812 MB of memory in use. ENERGY: 4258800 743.7826 2140.9286 1905.4626 102.9716 -206203.7738 17751.0134 0.0000 0.0000 34049.3165 -149510.2984 297.3611 -183559.6149 -149410.2743 298.2057 -5.5412 27.5682 556966.7774 -13.6756 -13.6674 PRESSURE: 4259000 231.461 -58.7114 -10.7115 -58.7107 69.3698 44.1494 -10.7111 44.151 -131.602 GPRESSURE: 4259000 262.376 -17.5587 -0.57519 -171.228 129.638 79.1772 45.5616 38.0917 -122.637 PRESSAVG: 4259000 38.3195 -12.07 0.194436 -12.07 -27.7289 16.0854 0.194463 16.0853 -6.46975 GPRESSAVG: 4259000 38.997 -13.6441 -1.13214 -13.2319 -27.3599 12.9333 1.88242 16.8837 -7.94795 TIMING: 4259000 CPU: 12800.3, 0.00298298/step Wall: 12800.3, 0.00298298/step, 0.613996 hours remaining, 209.894531 MB of memory in use. ENERGY: 4259000 742.3794 2141.2564 1905.0308 122.3640 -206372.3272 17891.4543 0.0000 0.0000 34098.5250 -149471.3173 297.7909 -183569.8423 -149377.8869 299.1219 56.4096 89.7925 557392.6526 1.3736 1.2297 PRESSURE: 4259200 0.893334 -85.424 -16.3501 -85.4252 303.86 -28.4381 -16.3502 -28.4399 -93.8249 GPRESSURE: 4259200 36.0504 -27.2336 44.3357 -181.663 282.845 -39.659 -77.5781 2.94396 -13.5591 PRESSAVG: 4259200 78.3386 18.7105 9.68422 18.7106 -30.7542 15.103 9.68419 15.1031 -5.67126 GPRESSAVG: 4259200 77.5503 19.26 10.2731 20.7009 -31.2221 16.9161 7.83341 14.6504 -4.9896 TIMING: 4259200 CPU: 12800.8, 0.0029592/step Wall: 12800.8, 0.0029592/step, 0.608937 hours remaining, 209.937500 MB of memory in use. ENERGY: 4259200 731.9254 2062.2707 1952.3532 108.0219 -206250.1077 17840.8880 0.0000 0.0000 34284.5614 -149270.0871 299.4156 -183554.6485 -149171.2452 298.6246 70.3096 101.7787 557251.0719 13.9710 13.7795 PRESSURE: 4259400 -332.579 48.8565 48.8815 48.8566 -267.467 -54.6038 48.8803 -54.6037 -489.751 GPRESSURE: 4259400 -296.861 76.7345 123.781 46.6862 -256.895 34.1776 -10.0909 -34.9743 -457.57 PRESSAVG: 4259400 7.11295 64.9258 73.4497 64.9258 -5.66542 32.1522 73.4496 32.1522 -9.13167 GPRESSAVG: 4259400 7.31876 64.1817 73.8774 64.9485 -5.56024 32.3888 75.6877 31.8137 -9.27535 TIMING: 4259400 CPU: 12801.4, 0.00293135/step Wall: 12801.4, 0.00293135/step, 0.603044 hours remaining, 209.937500 MB of memory in use. ENERGY: 4259400 751.9414 2065.9815 1929.8620 112.3589 -205562.0151 17163.2332 0.0000 0.0000 34266.4549 -149272.1831 299.2575 -183538.6380 -149177.5963 299.1448 -363.2658 -337.1085 558741.3667 -2.5614 -2.5056 PRESSURE: 4259600 -275.303 21.1254 88.3967 21.1259 -136.264 75.3539 88.3962 75.3543 -224.079 GPRESSURE: 4259600 -224.58 23.5994 93.9804 120.798 -102.663 36.0087 98.5712 106.219 -227.386 PRESSAVG: 4259600 -13.8628 1.09874 39.5286 1.09858 -7.19014 84.9404 39.5286 84.9405 31.6525 GPRESSAVG: 4259600 -13.4614 0.599392 40.392 1.65311 -8.12648 86.813 38.2319 85.0421 31.3276 TIMING: 4259600 CPU: 12802, 0.00292607/step Wall: 12802, 0.00292607/step, 0.601795 hours remaining, 209.937500 MB of memory in use. ENERGY: 4259600 740.7545 2068.6654 1941.4700 130.7489 -206075.8636 17539.4953 0.0000 0.0000 34484.8077 -149169.9217 301.1644 -183654.7294 -149074.4907 299.6178 -211.8820 -184.8764 558290.5583 3.5332 3.2466 PRESSURE: 4259800 94.1203 102.919 -101.862 102.918 -29.2597 -276.31 -101.862 -276.311 -20.5455 GPRESSURE: 4259800 132.399 127.622 -103.46 58.9775 5.2477 -278.342 -83.6646 -185.192 11.9129 PRESSAVG: 4259800 22.588 -17.5129 -8.07662 -17.5127 -29.9015 -26.8296 -8.07666 -26.8297 20.2502 GPRESSAVG: 4259800 23.2851 -17.5886 -10.8266 -17.6182 -31.5841 -30.0168 -4.42323 -28.3051 21.2005 TIMING: 4259800 CPU: 12802.6, 0.00299259/step Wall: 12802.6, 0.00299259/step, 0.61531 hours remaining, 209.937500 MB of memory in use. ENERGY: 4259800 744.6127 2083.2058 1959.0480 116.7714 -206237.8508 17957.4402 0.0000 0.0000 34206.0321 -149170.7405 298.7298 -183376.7726 -149080.7116 299.4955 14.7717 49.8532 556807.2374 4.3122 4.3005 PRESSURE: 4260000 -199.002 -23.4431 51.291 -23.4428 -220.281 -9.38951 51.2928 -9.38896 -2.15935 GPRESSURE: 4260000 -151.208 -110.234 77.2761 67.0046 -136.36 -70.7112 40.4995 13.9223 -18.5876 PRESSAVG: 4260000 -6.72732 -47.6798 21.8133 -47.6799 11.087 -3.38662 21.8133 -3.38669 -4.85423 GPRESSAVG: 4260000 -8.69525 -48.6599 22.8785 -48.2741 13.219 -1.5452 18.0535 -1.22864 -5.15877 TIMING: 4260000 CPU: 12803.2, 0.00298383/step Wall: 12803.2, 0.00298383/step, 0.613343 hours remaining, 209.937500 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: 4260000 728.7735 2085.7459 1957.9184 113.0701 -205951.3966 17495.9816 0.0000 0.0000 34413.2960 -149156.6110 300.5399 -183569.9070 -149067.7683 299.6692 -140.4806 -102.0519 557026.1684 -0.1648 -0.2117 PRESSURE: 4260200 -236.645 92.2334 -106.793 92.2329 82.1906 -78.8953 -106.792 -78.8934 -6.17286 GPRESSURE: 4260200 -175.786 22.1746 -122.508 95.0877 127.643 -7.67164 -79.0506 -84.6533 -15.2365 PRESSAVG: 4260200 -14.9925 -12.0375 -13.7164 -12.0374 50.7373 -6.51124 -13.7163 -6.51121 -13.3134 GPRESSAVG: 4260200 -14.3801 -10.8173 -11.0525 -12.0414 50.0819 -9.16802 -12.9921 -7.31357 -13.8807 TIMING: 4260200 CPU: 12803.8, 0.00293656/step Wall: 12803.8, 0.00293656/step, 0.603463 hours remaining, 209.937500 MB of memory in use. ENERGY: 4260200 773.3910 2091.1451 1925.3569 101.4815 -206257.9497 17897.9920 0.0000 0.0000 34251.6412 -149216.9419 299.1281 -183468.5831 -149115.1070 299.0846 -53.5425 -21.1264 557316.3465 7.4771 7.2737 LDB: ============= START OF LOAD BALANCING ============== 12807.3 LDB: ============== END OF LOAD BALANCING =============== 12807.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12807.3 LDB: ============= START OF LOAD BALANCING ============== 12807.6 LDB: Largest compute 4773 load 0.028448 is 24.1% of average load 0.118136 LDB: Average compute 0.001723 is 1.5% of average load 0.118136 LDB: TIME 12807.6 LOAD: AVG 0.118136 MAX 0.203154 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.156 MB LDB: TIME 12807.6 LOAD: AVG 0.118136 MAX 0.203154 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.359 MB LDB: TIME 12807.6 LOAD: AVG 0.118136 MAX 0.203154 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.359 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12807.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12807.6 PRESSURE: 4260400 -141.267 221.511 -146.319 221.511 -179.456 144.092 -146.319 144.091 -251.66 GPRESSURE: 4260400 -129.73 120.972 -215.942 246.316 -148.23 157.023 -100.108 75.5595 -189.941 PRESSAVG: 4260400 -53.4599 15.6199 -38.0855 15.6199 26.5312 0.211233 -38.0855 0.211201 -7.30604 GPRESSAVG: 4260400 -53.2898 15.3518 -41.2313 16.388 26.1534 2.02033 -38.3581 -0.840301 -7.29282 TIMING: 4260400 CPU: 12804.4, 0.00298296/step Wall: 12804.4, 0.00298296/step, 0.612833 hours remaining, 208.449219 MB of memory in use. ENERGY: 4260400 771.7574 2084.7392 1936.8777 104.1819 -206350.3202 17759.0296 0.0000 0.0000 34449.6214 -149244.1130 300.8571 -183693.7345 -149154.2724 298.7131 -190.7943 -155.9671 559459.0348 -11.4116 -11.4764 PRESSURE: 4260600 -238.695 -55.9186 60.2517 -55.9195 -273.22 -118.498 60.252 -118.497 -247.055 GPRESSURE: 4260600 -246.556 -26.2304 157.12 -42.7366 -214.624 16.097 26.0286 -164.057 -206.77 PRESSAVG: 4260600 -27.4384 50.3826 14.1442 50.3825 19.25 3.45868 14.1442 3.45877 14.2447 GPRESSAVG: 4260600 -28.5545 49.646 15.9517 50.3692 19.5582 3.67878 14.2849 3.35597 14.9246 TIMING: 4260600 CPU: 12805, 0.00293994/step Wall: 12805, 0.00293994/step, 0.603831 hours remaining, 208.691406 MB of memory in use. ENERGY: 4260600 757.0136 2064.5604 1943.2281 107.2087 -205565.5897 17406.4048 0.0000 0.0000 34183.5131 -149103.6610 298.5331 -183287.1741 -149004.9630 299.2742 -252.9901 -222.6496 559532.4934 2.0188 1.9761 PRESSURE: 4260800 136.459 -79.4256 -110.568 -79.4253 37.581 -148.584 -110.569 -148.584 3.71435 GPRESSURE: 4260800 147.786 -68.2571 -175.012 -53.4023 85.4033 -140.049 -153.719 -85.2141 49.5931 PRESSAVG: 4260800 -17.2423 -14.362 26.4538 -14.3619 6.58254 2.21528 26.4539 2.2153 -3.68472 GPRESSAVG: 4260800 -17.0516 -12.1143 26.6661 -12.6023 6.66955 1.97304 24.9178 2.19622 -4.25477 TIMING: 4260800 CPU: 12805.6, 0.00293373/step Wall: 12805.6, 0.00293373/step, 0.602392 hours remaining, 208.691406 MB of memory in use. ENERGY: 4260800 715.2830 2107.0155 1963.1955 117.8607 -206114.9997 18038.7429 0.0000 0.0000 34102.5670 -149070.3351 297.8262 -183172.9021 -148978.1320 298.9821 59.2514 94.2609 560284.9211 -4.7815 -4.8789 PRESSURE: 4261000 292.671 -177.864 -226.84 -177.864 147.89 137.469 -226.841 137.468 279.46 GPRESSURE: 4261000 336.493 -175.866 -197.83 -139.895 186.318 57.5248 -134.866 129.095 299.079 PRESSAVG: 4261000 -47.2339 -63.8387 -69.7175 -63.8387 -9.70978 18.9397 -69.7174 18.9398 53.6914 GPRESSAVG: 4261000 -47.0791 -63.9599 -67.6 -66.2119 -9.68145 16.8815 -70.0173 21.4602 53.8201 TIMING: 4261000 CPU: 12806.2, 0.00295581/step Wall: 12806.2, 0.00295581/step, 0.606763 hours remaining, 208.761719 MB of memory in use. ENERGY: 4261000 743.0098 2090.4741 1948.0624 106.6875 -206606.8024 18344.1756 0.0000 0.0000 34432.0477 -148942.3454 300.7036 -183374.3931 -148845.9273 299.6469 240.0072 273.9631 558485.6531 -1.0841 -0.9802 PRESSURE: 4261200 -88.7706 -123.167 -228.248 -123.167 -71.596 84.9365 -228.25 84.9365 68.6097 GPRESSURE: 4261200 -81.0644 -92.1771 -162.756 -89.6275 -37.1205 54.6521 -194.188 182.225 134.893 PRESSAVG: 4261200 -17.1198 -22.6979 -16.1979 -22.6979 15.4604 -24.6032 -16.1979 -24.6031 0.858317 GPRESSAVG: 4261200 -18.2209 -21.3671 -19.8629 -22.3528 16.6881 -24.5367 -13.9701 -25.3313 1.0985 TIMING: 4261200 CPU: 12806.7, 0.00293577/step Wall: 12806.7, 0.00293577/step, 0.602485 hours remaining, 208.761719 MB of memory in use. ENERGY: 4261200 786.2485 2111.5291 1925.8222 105.4980 -206376.9668 18095.0519 0.0000 0.0000 34387.7056 -148965.1115 300.3164 -183352.8172 -148870.3153 299.8907 -30.5856 5.5693 559270.4631 -0.2670 -0.1447 PRESSURE: 4261400 -72.0733 10.3475 -42.1312 10.3471 260.438 -18.4664 -42.1296 -18.4652 54.4909 GPRESSURE: 4261400 -2.51331 12.6098 -58.8377 12.3442 236.726 -68.2535 -2.42495 16.9433 102.035 PRESSAVG: 4261400 -0.493948 -32.8734 14.9917 -32.8733 16.5989 3.32404 14.9917 3.32395 -10.5968 GPRESSAVG: 4261400 -0.360007 -33.7354 15.0947 -32.2146 14.806 5.2074 15.0308 3.69876 -9.15493 TIMING: 4261400 CPU: 12807.3, 0.00291999/step Wall: 12807.3, 0.00291998/step, 0.599084 hours remaining, 208.761719 MB of memory in use. ENERGY: 4261400 751.9339 2118.0917 1933.1121 122.7475 -206756.9357 18121.6999 0.0000 0.0000 34564.4541 -149144.8965 301.8600 -183709.3506 -149047.7753 299.9222 80.9519 112.0824 557519.2587 1.8361 1.7637 PRESSURE: 4261600 -10.9676 -32.9139 -31.7494 -32.914 -125.817 109.871 -31.7483 109.872 -207.505 GPRESSURE: 4261600 -9.54347 11.5677 -140.74 -17.1974 -112.016 102.026 -31.7004 81.7199 -119.598 PRESSAVG: 4261600 46.6833 -20.9874 -7.15822 -20.9874 31.521 20.5071 -7.15816 20.5071 -68.5046 GPRESSAVG: 4261600 48.3671 -22.6638 -7.61095 -19.45 32.4754 19.5664 -6.46568 18.5741 -71.1871 TIMING: 4261600 CPU: 12807.9, 0.00292018/step Wall: 12807.9, 0.00292018/step, 0.598961 hours remaining, 208.761719 MB of memory in use. ENERGY: 4261600 746.7831 2116.8210 1949.7722 113.3852 -206033.3841 17836.8814 0.0000 0.0000 34125.6654 -149144.0759 298.0279 -183269.7412 -149044.2215 299.3551 -114.7634 -80.3858 559830.4094 3.2332 3.2185 PRESSURE: 4261800 -246.216 -55.1797 -119.734 -55.1809 -18.1477 -121.416 -119.734 -121.417 60.8639 GPRESSURE: 4261800 -187.044 -1.26555 -162.023 -77.6565 18.4928 -113.208 -124.894 -211.112 51.502 PRESSAVG: 4261800 0.346223 -2.32949 -42.5623 -2.32938 -34.121 -15.1576 -42.5623 -15.1575 33.6445 GPRESSAVG: 4261800 -0.0370252 -2.46516 -39.853 -3.67978 -35.5889 -13.4096 -44.3351 -16.8218 34.5702 TIMING: 4261800 CPU: 12808.5, 0.00296024/step Wall: 12808.5, 0.00296024/step, 0.607014 hours remaining, 208.761719 MB of memory in use. ENERGY: 4261800 737.6708 2080.1993 1938.0361 112.9824 -205986.6360 17634.6383 0.0000 0.0000 34358.9797 -149124.1293 300.0655 -183483.1090 -149024.3377 299.2066 -67.8333 -39.0166 558503.2691 -0.0434 -0.3519 PRESSURE: 4262000 -12.3924 60.6804 -113.013 60.6794 44.5819 -97.9106 -113.015 -97.9108 -203.307 GPRESSURE: 4262000 -50.5317 56.5817 -173.046 159.987 86.7035 -59.4849 -32.1741 -68.2802 -101.813 PRESSAVG: 4262000 -6.58337 -10.4882 -15.0594 -10.4882 -9.27849 2.71345 -15.0594 2.7136 0.149048 GPRESSAVG: 4262000 -7.69479 -7.28289 -16.1448 -11.0275 -7.56384 0.864412 -13.4419 5.82975 -0.366312 TIMING: 4262000 CPU: 12809.1, 0.00296604/step Wall: 12809.1, 0.00296604/step, 0.608039 hours remaining, 208.964844 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: 4262000 724.3060 2071.7728 1908.7699 116.0068 -205787.1716 17520.0944 0.0000 0.0000 34319.5286 -149126.6931 299.7210 -183446.2217 -149024.1515 299.7121 -57.0390 -21.8805 556474.2857 -5.2376 -5.2083 PRESSURE: 4262200 -209.428 43.8695 -3.8156 43.8696 -118.413 79.3201 -3.81622 79.3201 -84.2938 GPRESSURE: 4262200 -170.44 3.51637 1.89612 130.519 -98.3927 87.8499 9.83352 -25.6517 -50.8601 PRESSAVG: 4262200 -28.5785 -60.8838 2.46521 -60.8838 83.8556 -8.8284 2.46526 -8.82837 -65.7785 GPRESSAVG: 4262200 -28.0917 -63.1415 1.76234 -59.1542 82.515 -8.42435 1.85604 -9.37958 -64.9637 TIMING: 4262200 CPU: 12809.7, 0.00297369/step Wall: 12809.7, 0.00297369/step, 0.609441 hours remaining, 208.964844 MB of memory in use. ENERGY: 4262200 749.6764 2087.7052 1942.7138 93.5475 -205998.8277 17594.7585 0.0000 0.0000 34322.0225 -149208.4038 299.7428 -183530.4264 -149110.6663 299.6163 -137.3784 -106.5642 557048.0007 -3.5005 -3.5135 PRESSURE: 4262400 -25.7625 134.617 -6.35671 134.618 195.677 -34.1863 -6.35692 -34.1871 -76.472 GPRESSURE: 4262400 19.8428 144.154 -5.92173 71.9388 247.024 -92.1636 10.6669 34.6547 -89.1669 PRESSAVG: 4262400 9.36106 52.899 -59.4208 52.899 26.0019 -47.7212 -59.4207 -47.721 -30.4912 GPRESSAVG: 4262400 8.74216 53.7114 -57.6365 50.75 27.0886 -48.1336 -60.7765 -46.5767 -30.7288 TIMING: 4262400 CPU: 12810.3, 0.00298775/step Wall: 12810.3, 0.00298775/step, 0.612157 hours remaining, 208.964844 MB of memory in use. ENERGY: 4262400 754.7426 2069.3630 1943.6765 98.4556 -206224.8860 17962.8074 0.0000 0.0000 34097.9008 -149297.9401 297.7854 -183395.8409 -149196.0044 298.7161 31.1474 59.2334 557879.5835 1.6239 1.7007 PRESSURE: 4262600 69.2133 101.662 61.5353 101.662 -326.338 53.8028 61.5355 53.8024 -95.1772 GPRESSURE: 4262600 78.0766 116.109 -33.4804 92.4396 -265.615 70.8128 150.31 48.6444 -63.56 PRESSAVG: 4262600 31.6548 6.25488 38.8015 6.25495 -2.38248 -36.9755 38.8016 -36.9757 -29.0365 GPRESSAVG: 4262600 31.2576 5.34041 39.5193 5.49873 -2.28523 -36.8146 38.3594 -36.2824 -28.0736 TIMING: 4262600 CPU: 12810.9, 0.00301771/step Wall: 12810.9, 0.00301771/step, 0.618127 hours remaining, 208.964844 MB of memory in use. ENERGY: 4262600 728.0109 2093.8983 1951.0293 114.3433 -206063.9286 17671.2475 0.0000 0.0000 34251.9274 -149253.4720 299.1306 -183505.3993 -149159.6614 298.9796 -117.4341 -83.6994 558235.2252 0.0786 0.2996 PRESSURE: 4262800 -170.876 68.7012 -58.6661 68.7019 56.6166 34.5757 -58.6651 34.575 123.425 GPRESSURE: 4262800 -128.855 161.64 14.2444 -32.2113 78.6788 40.7965 -72.8919 52.0396 157.846 PRESSAVG: 4262800 24.3809 8.9479 31.5289 8.94785 -44.9936 -31.5777 31.5289 -31.5776 68.7391 GPRESSAVG: 4262800 25.3448 8.52617 27.0556 11.5801 -45.4526 -30.7853 34.776 -34.6083 67.7728 TIMING: 4262800 CPU: 12811.5, 0.00294384/step Wall: 12811.5, 0.00294384/step, 0.602832 hours remaining, 208.964844 MB of memory in use. ENERGY: 4262800 748.8269 2109.5061 1952.9879 102.8710 -206076.8548 17795.1156 0.0000 0.0000 34219.2056 -149148.3417 298.8448 -183367.5474 -149050.8503 299.2425 3.0554 35.8900 558772.6668 16.0421 15.8883 PRESSURE: 4263000 -153.74 66.1957 -209.963 66.1951 37.9064 181.679 -209.964 181.679 -2.27361 GPRESSURE: 4263000 -97.1374 89.6833 -157.531 17.4537 73.5968 167.891 -189.7 270.755 7.30586 PRESSAVG: 4263000 28.2841 3.76176 3.75555 3.76178 -96.8905 -32.9221 3.75556 -32.9221 82.5334 GPRESSAVG: 4263000 29.6435 5.77739 6.32681 1.91579 -97.1036 -36.5657 1.7933 -29.9391 82.1211 TIMING: 4263000 CPU: 12812.1, 0.00296421/step Wall: 12812.1, 0.00296421/step, 0.60684 hours remaining, 208.964844 MB of memory in use. ENERGY: 4263000 738.4298 2109.9513 1943.8273 105.6385 -206181.6670 17788.8209 0.0000 0.0000 34285.5608 -149209.4384 299.4243 -183494.9992 -149119.8451 299.2167 -39.3690 -5.4116 558412.0114 4.6423 4.8870 PRESSURE: 4263200 157.918 -133.568 168.025 -133.568 42.8167 138.456 168.025 138.455 107.481 GPRESSURE: 4263200 181.303 -170.339 102.831 -141.327 91.996 154.297 153.825 119.826 125.873 PRESSAVG: 4263200 -35.965 -22.9896 -15.1933 -22.9896 -3.65177 -6.21283 -15.1933 -6.21283 27.3931 GPRESSAVG: 4263200 -36.0575 -23.8425 -16.1481 -24.3365 -2.11719 -3.04915 -15.5324 -6.41077 26.4746 TIMING: 4263200 CPU: 12812.7, 0.00297935/step Wall: 12812.7, 0.00297935/step, 0.609773 hours remaining, 208.964844 MB of memory in use. ENERGY: 4263200 708.1579 2088.8699 1946.9718 112.0001 -206236.4722 17907.6507 0.0000 0.0000 34330.9308 -149141.8911 299.8206 -183472.8219 -149048.3860 300.0013 102.7386 133.0576 556631.4115 -4.0746 -3.9000 PRESSURE: 4263400 -295.35 1.27486 79.5913 1.27561 110.678 -116.787 79.5904 -116.789 -203.688 GPRESSURE: 4263400 -256.497 78.0886 99.7886 5.64403 173.574 -112.162 98.2015 -107.602 -195.405 PRESSAVG: 4263400 -55.9024 -49.4536 19.94 -49.4536 41.8954 -66.0361 19.9401 -66.0361 45.3687 GPRESSAVG: 4263400 -56.6797 -50.003 19.7461 -46.9627 41.9202 -64.7059 20.5683 -66.9248 46.1097 TIMING: 4263400 CPU: 12813.3, 0.00297765/step Wall: 12813.3, 0.00297765/step, 0.609261 hours remaining, 208.964844 MB of memory in use. ENERGY: 4263400 750.6448 2090.3080 1964.4267 117.1902 -205838.3943 17616.4884 0.0000 0.0000 34138.5086 -149160.8275 298.1401 -183299.3361 -149064.6600 299.6442 -129.4535 -92.7760 556885.1499 10.4539 10.4501 PRESSURE: 4263600 52.1606 -32.9182 68.3533 -32.9175 212.426 8.99019 68.3551 8.99086 -258.097 GPRESSURE: 4263600 82.0477 83.6332 71.9974 -79.7933 222.603 -59.2305 74.2965 73.8734 -194.45 PRESSAVG: 4263600 -8.13493 11.9421 12.6867 11.9422 17.7048 -31.519 12.6867 -31.5191 5.17148 GPRESSAVG: 4263600 -7.66566 13.0151 13.8953 11.4971 15.636 -32.1135 11.5466 -29.9587 7.22944 TIMING: 4263600 CPU: 12813.9, 0.00299288/step Wall: 12813.9, 0.00299288/step, 0.612209 hours remaining, 208.964844 MB of memory in use. ENERGY: 4263600 724.1127 2141.1547 1937.4520 113.0507 -206046.7905 17698.9151 0.0000 0.0000 34160.0520 -149272.0533 298.3282 -183432.1053 -149171.8934 299.5852 2.1629 36.7336 556322.5642 4.9138 5.0666 PRESSURE: 4263800 -287.282 15.7292 -36.2952 15.728 245.614 54.2726 -36.2944 54.2736 -239.659 GPRESSURE: 4263800 -237.446 15.7864 -12.9961 72.6626 286.298 94.6211 -28.3644 40.8114 -224.055 PRESSAVG: 4263800 29.5029 6.98943 -20.2789 6.98936 14.4299 -4.47086 -20.2789 -4.47093 -52.5471 GPRESSAVG: 4263800 29.7989 3.78302 -19.7741 9.7252 14.7869 -5.90113 -20.1813 -4.86538 -52.7455 TIMING: 4263800 CPU: 12814.5, 0.00297825/step Wall: 12814.5, 0.00297825/step, 0.609053 hours remaining, 208.964844 MB of memory in use. ENERGY: 4263800 756.2005 2096.4204 1969.0027 110.1800 -206007.6881 17613.1283 0.0000 0.0000 34243.0630 -149219.6932 299.0532 -183462.7562 -149130.8055 299.0226 -93.7758 -58.4010 557959.1366 -2.8714 -2.7199 PRESSURE: 4264000 78.8999 63.6621 -44.7024 63.6614 -326.827 -118.163 -44.7035 -118.163 -215.91 GPRESSURE: 4264000 94.231 140.617 -58.2808 114.789 -308.596 -72.5139 -35.0109 -134.805 -156.344 PRESSAVG: 4264000 74.4497 37.8314 -28.5609 37.8313 -6.55183 -40.3719 -28.5609 -40.372 -91.4773 GPRESSAVG: 4264000 74.539 42.3586 -30.98 36.6003 -6.58206 -41.2764 -27.6502 -39.8837 -91.5641 TIMING: 4264000 CPU: 12815.1, 0.00301279/step Wall: 12815.1, 0.00301279/step, 0.615948 hours remaining, 208.964844 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: 4264000 751.9648 2109.1463 1956.9555 114.2324 -206089.2382 17536.3179 0.0000 0.0000 34320.8818 -149299.7393 299.7328 -183620.6212 -149204.5462 299.3960 -154.6121 -123.5697 556478.4163 -7.8598 -7.8691 PRESSURE: 4264200 -255.169 -30.3042 138.553 -30.3051 139.101 -26.5543 138.554 -26.5554 -122.087 GPRESSURE: 4264200 -193.739 -84.2941 94.3994 -19.5299 212.048 -6.84303 157.75 7.61207 -165.708 PRESSAVG: 4264200 -74.7983 19.4688 2.56454 19.4687 74.3451 -38.9375 2.56452 -38.9375 16.2222 GPRESSAVG: 4264200 -72.9129 17.7165 4.40753 17.7417 73.0274 -36.8704 0.991646 -39.167 16.0994 TIMING: 4264200 CPU: 12815.7, 0.00299448/step Wall: 12815.7, 0.00299448/step, 0.612039 hours remaining, 208.964844 MB of memory in use. ENERGY: 4264200 729.4052 2099.2609 1901.2599 110.7873 -206209.8517 17787.4722 0.0000 0.0000 34132.6062 -149449.0600 298.0885 -183581.6661 -149345.8432 299.0635 -79.3850 -49.1330 557961.9674 5.2564 5.4046 LDB: ============= START OF LOAD BALANCING ============== 12819.2 LDB: ============== END OF LOAD BALANCING =============== 12819.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12819.2 LDB: ============= START OF LOAD BALANCING ============== 12819.5 LDB: Largest compute 4773 load 0.027823 is 23.6% of average load 0.118135 LDB: Average compute 0.001735 is 1.5% of average load 0.118135 LDB: TIME 12819.5 LOAD: AVG 0.118135 MAX 0.206941 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.934 MB LDB: TIME 12819.5 LOAD: AVG 0.118135 MAX 0.206941 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210 MB LDB: TIME 12819.5 LOAD: AVG 0.118135 MAX 0.206941 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210 MB LDB: ============== END OF LOAD BALANCING =============== 12819.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12819.5 PRESSURE: 4264400 -24.786 -123.175 203.081 -123.177 -228.811 -162.53 203.081 -162.53 -152.653 GPRESSURE: 4264400 7.54393 -121.95 222.348 -69.9292 -207.92 -90.8569 162.347 -229.896 -108.745 PRESSAVG: 4264400 -34.0949 -3.55883 -8.58672 -3.55885 52.9971 -65.4965 -8.58668 -65.4966 7.69841 GPRESSAVG: 4264400 -35.9403 -3.02939 -7.42273 -2.34382 54.9523 -65.9485 -7.78637 -68.0627 7.76345 TIMING: 4264400 CPU: 12816.3, 0.00303726/step Wall: 12816.3, 0.00303726/step, 0.620614 hours remaining, 208.226562 MB of memory in use. ENERGY: 4264400 754.4430 2052.7381 1935.7877 117.3732 -206212.9216 17755.1859 0.0000 0.0000 34126.3299 -149471.0638 298.0337 -183597.3937 -149371.2219 298.7353 -135.4167 -103.0403 557883.9958 8.8669 8.9251 PRESSURE: 4264600 151.413 -3.01657 102.023 -3.0166 129.322 13.5535 102.023 13.5539 17.7988 GPRESSURE: 4264600 140.977 -18.4075 83.0976 -24.8496 210.652 92.7117 129.548 -6.78377 48.2851 PRESSAVG: 4264600 -22.0172 29.0277 -11.6131 29.0277 37.8141 2.11359 -11.613 2.11369 -34.8754 GPRESSAVG: 4264600 -20.8491 28.89 -13.3917 29.4809 36.1595 2.52068 -11.3823 3.57199 -35.0206 TIMING: 4264600 CPU: 12816.9, 0.00300196/step Wall: 12816.9, 0.00300196/step, 0.613234 hours remaining, 208.226562 MB of memory in use. ENERGY: 4264600 747.8933 2066.8922 1949.9855 108.4502 -206390.7687 17934.9781 0.0000 0.0000 34299.8809 -149282.6884 299.5494 -183582.5694 -149184.7492 298.4634 99.5114 133.3048 556453.3559 -6.3595 -6.5701 PRESSURE: 4264800 29.9803 104.778 -44.4866 104.777 -65.9588 -91.9926 -44.4866 -91.9914 -88.5391 GPRESSURE: 4264800 53.6545 50.8526 -158.626 182.739 -25.6824 -159.805 34.4493 -6.18074 -63.3136 PRESSAVG: 4264800 13.3624 -12.021 19.606 -12.021 46.741 -42.167 19.6059 -42.1671 -7.58706 GPRESSAVG: 4264800 11.6126 -13.0988 20.3704 -13.1288 48.6054 -41.6858 20.5461 -41.2241 -7.43747 TIMING: 4264800 CPU: 12817.5, 0.00299174/step Wall: 12817.5, 0.00299174/step, 0.61098 hours remaining, 208.226562 MB of memory in use. ENERGY: 4264800 742.5937 2100.0003 1948.0284 113.8876 -206068.8681 17708.6385 0.0000 0.0000 34191.3276 -149264.3921 298.6014 -183455.7197 -149167.0851 299.4104 -41.5059 -11.7805 556117.9314 17.5054 17.5935 PRESSURE: 4265000 -111.341 -52.3151 69.762 -52.3126 29.0641 15.7433 69.7626 15.7444 -382.298 GPRESSURE: 4265000 -71.5132 -49.8914 0.59888 -38.4959 70.8936 -57.5906 67.1867 80.5062 -369.472 PRESSAVG: 4265000 -11.363 -21.9008 -13.9775 -21.9008 53.7072 -26.0381 -13.9776 -26.0382 -53.5901 GPRESSAVG: 4265000 -9.39823 -21.5431 -15.1632 -21.1409 52.7786 -27.06 -15.5211 -28.2912 -54.5037 TIMING: 4265000 CPU: 12818.1, 0.00298105/step Wall: 12818.1, 0.00298105/step, 0.608631 hours remaining, 208.226562 MB of memory in use. ENERGY: 4265000 753.7271 2091.6243 1919.8777 109.5277 -206210.0251 17571.6448 0.0000 0.0000 34286.0635 -149477.5600 299.4287 -183763.6235 -149384.5596 298.4130 -154.8585 -123.3638 555260.2934 -3.7486 -3.7078 PRESSURE: 4265200 -68.7492 163.919 78.7028 163.92 1.64359 -36.3092 78.703 -36.3103 -165.199 GPRESSURE: 4265200 9.85309 141.189 31.4238 280.898 -30.0817 -70.6366 122.355 -139.332 -124.382 PRESSAVG: 4265200 30.6815 41.8296 -17.6365 41.8295 -1.97508 -35.0326 -17.6366 -35.0327 -54.8108 GPRESSAVG: 4265200 31.1667 43.8503 -17.1553 41.2851 -2.16145 -35.5496 -16.6768 -33.9275 -55.0519 TIMING: 4265200 CPU: 12818.7, 0.00296197/step Wall: 12818.7, 0.00296197/step, 0.60457 hours remaining, 208.429688 MB of memory in use. ENERGY: 4265200 778.6103 2069.0144 1948.8573 106.1592 -205934.5374 17600.6407 0.0000 0.0000 33956.7606 -149474.4948 296.5528 -183431.2554 -149381.3123 298.0761 -77.4349 -48.2037 556381.5836 -8.7015 -8.6822 PRESSURE: 4265400 -87.004 -31.3214 -14.5885 -31.3226 -132.037 137.268 -14.5907 137.267 -243.334 GPRESSURE: 4265400 -34.7265 -75.2307 -67.3147 -41.8706 -108.901 247.091 33.5269 138.523 -214.97 PRESSAVG: 4265400 36.3816 28.6617 5.99875 28.6617 64.0142 51.9202 5.99881 51.9202 -96.4163 GPRESSAVG: 4265400 35.2689 28.2122 5.9308 26.7 64.1727 51.943 2.69648 53.0997 -95.015 TIMING: 4265400 CPU: 12819.3, 0.00297507/step Wall: 12819.3, 0.00297507/step, 0.607079 hours remaining, 208.429688 MB of memory in use. ENERGY: 4265400 775.9162 2040.9872 1946.5732 111.2984 -206208.5249 17582.3616 0.0000 0.0000 34374.6591 -149376.7291 300.2024 -183751.3882 -149284.5956 297.9100 -154.1251 -119.5326 556175.7136 1.3265 1.4756 PRESSURE: 4265600 -74.5489 46.9135 167.987 46.9132 -12.1043 -24.1011 167.987 -24.1008 -119.336 GPRESSURE: 4265600 -58.8496 58.7397 110.039 70.6537 -2.55704 -57.707 156.627 -2.13051 -39.9884 PRESSAVG: 4265600 18.2783 -23.9373 -34.4615 -23.9372 -14.7837 8.14533 -34.4615 8.14549 -0.645448 GPRESSAVG: 4265600 19.39 -25.081 -33.8924 -23.35 -15.5492 7.67895 -30.5919 9.03861 -0.63109 TIMING: 4265600 CPU: 12819.9, 0.00300702/step Wall: 12819.9, 0.00300702/step, 0.613432 hours remaining, 208.429688 MB of memory in use. ENERGY: 4265600 732.3531 2081.6654 1951.6592 114.7360 -205963.6488 17548.2167 0.0000 0.0000 34178.0028 -149357.0156 298.4850 -183535.0185 -149260.7168 299.1626 -68.6631 -33.7983 558144.6754 0.9497 1.0699 PRESSURE: 4265800 39.8207 246.192 -9.90148 246.193 -81.1652 -222.864 -9.90341 -222.863 103.753 GPRESSURE: 4265800 22.912 156.072 -24.7765 219.242 -13.3178 -206.812 12.8553 -265.566 139.335 PRESSAVG: 4265800 34.7842 -18.7154 -21.8211 -18.7154 0.597 10.4494 -21.8212 10.4493 -62.3254 GPRESSAVG: 4265800 34.7134 -17.5296 -20.9776 -18.3371 1.03929 9.75833 -22.5711 9.42282 -63.323 TIMING: 4265800 CPU: 12820.4, 0.00296882/step Wall: 12820.4, 0.00296882/step, 0.605474 hours remaining, 208.429688 MB of memory in use. ENERGY: 4265800 764.4010 2112.0138 1939.0183 108.4640 -206635.1402 18147.2739 0.0000 0.0000 34124.2228 -149439.7464 298.0153 -183563.9692 -149336.4625 298.7461 20.8029 49.6431 559145.8386 -8.9814 -9.1901 PRESSURE: 4266000 -44.3522 55.3539 -109.68 55.3541 -152.544 19.627 -109.681 19.6272 -139.707 GPRESSURE: 4266000 -21.4206 13.8442 -128.239 136.272 -127.675 90.7897 -75.9736 -46.9695 -104.875 PRESSAVG: 4266000 5.9861 11.787 -17.0018 11.787 -47.1167 -9.82319 -17.0018 -9.82318 4.41371 GPRESSAVG: 4266000 5.7198 12.5992 -19.5054 11.7517 -47.0166 -7.63605 -17.8943 -8.93767 4.73847 TIMING: 4266000 CPU: 12821.1, 0.00300234/step Wall: 12821.1, 0.00300234/step, 0.612144 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: 4266000 778.9192 2140.0856 1927.9847 96.8510 -206034.9819 17681.4446 0.0000 0.0000 34075.3565 -149334.3404 297.5886 -183409.6969 -149241.8680 299.1941 -112.2011 -84.6566 558890.8235 -12.2389 -12.1861 PRESSURE: 4266200 151.481 94.34 -46.5939 94.3412 178.171 56.0753 -46.5946 56.0741 79.0516 GPRESSURE: 4266200 117.839 102.433 -32.5022 54.2151 297.416 7.63621 57.397 46.5041 93.5716 PRESSAVG: 4266200 15.5123 25.0171 -2.59956 25.0171 14.5628 7.06206 -2.59955 7.06211 -60.8076 GPRESSAVG: 4266200 15.4491 23.7977 -2.76023 26.8952 14.2473 6.6383 -1.14018 6.50218 -60.3173 TIMING: 4266200 CPU: 12821.6, 0.00297667/step Wall: 12821.6, 0.00297667/step, 0.606744 hours remaining, 208.429688 MB of memory in use. ENERGY: 4266200 749.4590 2070.2288 1954.8450 117.6742 -206490.6002 17917.7988 0.0000 0.0000 34214.9559 -149465.6385 298.8077 -183680.5944 -149367.7333 299.2310 136.2343 169.6091 555986.5423 -10.2442 -10.2070 PRESSURE: 4266400 -36.1676 61.1765 113.034 61.1766 202.096 2.4543 113.033 2.45415 269.906 GPRESSURE: 4266400 -2.25777 1.22662 139.572 81.1771 218.85 9.31208 138.214 38.1327 300.638 PRESSAVG: 4266400 0.557707 47.4394 -32.8952 47.4394 49.2361 -3.30266 -32.8953 -3.30272 -9.92205 GPRESSAVG: 4266400 1.78744 45.6508 -30.522 46.6496 48.1103 -4.9543 -33.2683 -3.48851 -10.3991 TIMING: 4266400 CPU: 12822.2, 0.00295792/step Wall: 12822.2, 0.00295792/step, 0.602758 hours remaining, 208.429688 MB of memory in use. ENERGY: 4266400 737.7426 2084.5990 1949.4217 122.3026 -206722.7641 17996.1194 0.0000 0.0000 34355.9009 -149476.6779 300.0386 -183832.5788 -149385.6848 298.8126 145.2779 172.4101 555861.6480 13.2906 13.1662 PRESSURE: 4266600 29.676 -187.039 -50.7914 -187.038 12.5166 126.167 -50.7933 126.168 -29.4046 GPRESSURE: 4266600 62.1654 -303.259 16.9614 -95.3744 20.748 81.1779 6.571 113.29 25.2017 PRESSAVG: 4266600 -26.923 30.3199 1.41351 30.3198 47.5303 25.8706 1.41349 25.8706 -22.1423 GPRESSAVG: 4266600 -28.4109 31.8968 1.23602 31.5688 48.1242 29.0776 1.02958 25.202 -21.4356 TIMING: 4266600 CPU: 12822.8, 0.00298548/step Wall: 12822.8, 0.00298548/step, 0.608209 hours remaining, 208.429688 MB of memory in use. ENERGY: 4266600 743.1246 2056.8729 1949.8740 95.4650 -206477.5243 17892.5269 0.0000 0.0000 34288.6523 -149451.0086 299.4513 -183739.6610 -149353.7248 299.5576 4.2627 36.0384 555973.1275 -0.5116 -0.5741 PRESSURE: 4266800 -159.588 -54.2252 22.1296 -54.2263 62.5541 -80.8452 22.1308 -80.8456 -90.9186 GPRESSURE: 4266800 -149.117 -121.447 67.2801 -60.8366 94.3913 -112.49 -35.3682 -100.154 -40.8787 PRESSAVG: 4266800 28.7462 -46.3545 -19.6461 -46.3545 -19.5252 -42.122 -19.6461 -42.1222 -21.6327 GPRESSAVG: 4266800 28.0123 -47.1588 -19.0697 -47.0219 -18.7702 -44.5616 -20.6886 -43.1003 -22.0328 TIMING: 4266800 CPU: 12823.4, 0.00298205/step Wall: 12823.4, 0.00298205/step, 0.607343 hours remaining, 208.429688 MB of memory in use. ENERGY: 4266800 729.1836 2104.4338 1923.8176 115.0502 -206132.5492 17694.2207 0.0000 0.0000 34080.9993 -149484.8440 297.6378 -183565.8432 -149386.7846 298.7752 -62.6507 -31.8681 557413.0697 -4.1372 -4.2636 PRESSURE: 4267000 -301.927 -142.896 34.0721 -142.896 -332.679 45.6875 34.0714 45.6883 -347.227 GPRESSURE: 4267000 -313.95 -54.7841 8.34545 -115.817 -295.457 71.2512 65.1298 48.7001 -270.019 PRESSAVG: 4267000 -31.3174 -18.0192 4.03162 -18.0192 -9.34301 -58.0463 4.03158 -58.0463 19.5963 GPRESSAVG: 4267000 -29.7019 -17.4856 0.656035 -19.5041 -10.5541 -54.5775 7.67864 -59.0605 19.2885 TIMING: 4267000 CPU: 12824, 0.00298374/step Wall: 12824, 0.00298374/step, 0.607523 hours remaining, 208.429688 MB of memory in use. ENERGY: 4267000 784.7810 2084.9019 1976.4913 117.9990 -206294.8308 17601.5756 0.0000 0.0000 34249.0350 -149480.0469 299.1053 -183729.0819 -149383.1322 298.5397 -327.2776 -293.1416 557793.5998 -7.0214 -6.9892 PRESSURE: 4267200 -11.0759 -126.155 -69.1002 -126.156 -124.449 -102.178 -69.1009 -102.178 49.0642 GPRESSURE: 4267200 0.671572 -115.492 -120.343 -121.926 -34.4824 -155.233 -52.5499 -168.614 33.4088 PRESSAVG: 4267200 -15.1024 -32.4738 -70.2974 -32.4738 -24.0247 -43.534 -70.2974 -43.5342 1.32028 GPRESSAVG: 4267200 -16.4092 -30.7057 -67.4627 -30.0361 -23.3318 -47.1581 -73.9488 -41.5463 2.47444 TIMING: 4267200 CPU: 12824.6, 0.0029789/step Wall: 12824.6, 0.0029789/step, 0.606371 hours remaining, 208.429688 MB of memory in use. ENERGY: 4267200 708.1757 2066.3046 1973.5879 114.0717 -206615.7726 17921.5884 0.0000 0.0000 34191.8720 -149640.1722 298.6061 -183832.0442 -149543.9250 299.0641 -28.8204 -0.1340 557525.2031 -12.6023 -12.4222 PRESSURE: 4267400 -214.296 103.782 83.7604 103.782 81.6944 -17.5988 83.7607 -17.5992 -151.944 GPRESSURE: 4267400 -157.88 135.474 90.9149 41.4051 132.556 -54.7405 13.1916 41.5364 -168.155 PRESSAVG: 4267400 -22.6006 -43.9287 -10.5952 -43.9288 43.6314 -17.2644 -10.5951 -17.2644 -20.4242 GPRESSAVG: 4267400 -22.3317 -44.233 -10.9895 -45.103 43.7102 -15.7847 -10.1047 -19.1244 -20.5335 TIMING: 4267400 CPU: 12825.2, 0.00295155/step Wall: 12825.2, 0.00295155/step, 0.60064 hours remaining, 208.429688 MB of memory in use. ENERGY: 4267400 760.1906 2109.9278 1942.1143 110.7038 -206247.0157 17661.5897 0.0000 0.0000 34218.7492 -149443.7404 298.8408 -183662.4896 -149348.3308 299.4938 -94.8484 -64.4929 555921.8700 0.2022 0.2817 PRESSURE: 4267600 -173.374 9.67866 -42.2988 9.68016 -126.106 -143.588 -42.2979 -143.588 -0.498821 GPRESSURE: 4267600 -142.658 2.14506 -45.7902 -21.1539 -76.3464 -98.1128 -165.585 -138.586 26.6917 PRESSAVG: 4267600 -41.919 9.56981 -16.1831 9.56978 -8.65067 -25.8245 -16.1831 -25.8243 39.0924 GPRESSAVG: 4267600 -42.3697 8.06391 -15.4185 9.38271 -7.77708 -25.7218 -15.1188 -25.2141 38.9951 TIMING: 4267600 CPU: 12825.8, 0.00295599/step Wall: 12825.8, 0.00295599/step, 0.60138 hours remaining, 208.429688 MB of memory in use. ENERGY: 4267600 786.3911 2112.8276 1947.0413 123.2654 -206552.9469 17764.3275 0.0000 0.0000 34454.1575 -149364.9365 300.8967 -183819.0940 -149273.0962 298.8146 -99.9931 -64.1044 556952.1211 -3.8258 -3.7172 PRESSURE: 4267800 -88.5081 107.788 -55.4742 107.788 -25.938 20.7867 -55.4746 20.7856 -167.377 GPRESSURE: 4267800 -66.0768 104.792 -14.4526 96.1213 45.2774 37.558 -13.4326 26.1614 -160.675 PRESSAVG: 4267800 -8.34794 39.2984 -44.3214 39.2984 -57.1661 -31.6881 -44.3214 -31.6882 95.5021 GPRESSAVG: 4267800 -8.48418 39.8176 -44.2052 37.7571 -56.5261 -34.0456 -43.2118 -32.0343 94.9381 TIMING: 4267800 CPU: 12826.4, 0.00296605/step Wall: 12826.4, 0.00296605/step, 0.603261 hours remaining, 208.429688 MB of memory in use. ENERGY: 4267800 783.2868 2086.9035 1949.6762 111.1275 -206141.4365 17667.2577 0.0000 0.0000 34146.7805 -149396.4045 298.2123 -183543.1850 -149301.0306 299.2035 -93.9410 -60.4915 557902.6978 9.9960 9.9759 PRESSURE: 4268000 -86.8617 118.246 -142.189 118.246 153.465 127.448 -142.189 127.45 12.5579 GPRESSURE: 4268000 -8.10279 95.1673 -168.745 142.466 181.841 124.072 -167.46 69.9801 6.68869 PRESSAVG: 4268000 -8.5562 6.92067 -15.1122 6.92079 -9.12262 -7.46832 -15.1123 -7.46851 1.4384 GPRESSAVG: 4268000 -8.40023 7.25211 -15.5776 7.58435 -10.2294 -5.31071 -14.8432 -6.85464 1.82525 TIMING: 4268000 CPU: 12827, 0.00297414/step Wall: 12827, 0.00297414/step, 0.604742 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: 4268000 749.2845 2073.0823 1966.8215 115.1280 -206734.2318 17977.9268 0.0000 0.0000 34300.0246 -149551.9641 299.5506 -183851.9887 -149454.8758 299.3293 26.3871 60.1425 557364.8899 -5.4135 -5.6015 PRESSURE: 4268200 -151.194 25.5301 60.7815 25.5294 -247.632 -91.81 60.7803 -91.8108 -301.666 GPRESSURE: 4268200 -176.898 106.197 138.742 -60.2597 -215.992 -84.0939 49.7809 -88.5417 -225.444 PRESSAVG: 4268200 34.8764 95.4778 49.8433 95.4778 41.8644 14.2938 49.8434 14.2937 -56.3551 GPRESSAVG: 4268200 34.0619 94.3575 52.731 96.5826 41.9014 14.1767 48.0205 15.2204 -56.1016 TIMING: 4268200 CPU: 12827.6, 0.00298892/step Wall: 12827.6, 0.00298892/step, 0.607581 hours remaining, 208.429688 MB of memory in use. ENERGY: 4268200 737.9279 2019.7552 1982.0465 104.8303 -206068.3240 17523.9284 0.0000 0.0000 34154.3331 -149545.5027 298.2783 -183699.8358 -149441.1021 299.2766 -233.4974 -206.1112 559850.9419 6.7952 6.6206 LDB: ============= START OF LOAD BALANCING ============== 12831.1 LDB: ============== END OF LOAD BALANCING =============== 12831.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12831.1 LDB: ============= START OF LOAD BALANCING ============== 12831.4 LDB: Largest compute 4773 load 0.029079 is 24.6% of average load 0.118197 LDB: Average compute 0.001729 is 1.5% of average load 0.118197 LDB: TIME 12831.4 LOAD: AVG 0.118197 MAX 0.208413 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.797 MB LDB: TIME 12831.4 LOAD: AVG 0.118197 MAX 0.208413 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.863 MB LDB: TIME 12831.4 LOAD: AVG 0.118197 MAX 0.208413 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.863 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12831.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12831.4 PRESSURE: 4268400 -196.611 0.424023 -85.5098 0.423189 -138.168 64.9165 -85.5088 64.9158 -241.502 GPRESSURE: 4268400 -168.495 -6.45673 -76.5946 -81.1565 -114.192 95.8491 -29.823 111.913 -179.957 PRESSAVG: 4268400 -10.8363 0.263343 -24.1704 0.263451 47.2991 23.5045 -24.1703 23.5045 -12.4492 GPRESSAVG: 4268400 -10.2027 2.03558 -24.8099 -1.61222 48.1471 23.1603 -23.8251 24.9063 -13.7242 TIMING: 4268400 CPU: 12828.2, 0.00302471/step Wall: 12828.2, 0.00302471/step, 0.614689 hours remaining, 210.855469 MB of memory in use. ENERGY: 4268400 774.9355 2035.7950 1966.7622 115.8839 -206402.8489 17772.8821 0.0000 0.0000 34302.9600 -149433.6301 299.5763 -183736.5901 -149333.7316 299.7299 -192.0934 -154.2143 559080.9305 8.0045 8.0734 PRESSURE: 4268600 -114.358 -174.187 -39.8063 -174.188 25.2668 32.8945 -39.8046 32.8946 -390.527 GPRESSURE: 4268600 -105.124 -173.701 -86.5812 -107.169 71.996 85.5302 -100.183 27.4983 -348.922 PRESSAVG: 4268600 -55.8985 18.1105 -74.7205 18.1105 91.7547 -23.9773 -74.7205 -23.9771 -14.7542 GPRESSAVG: 4268600 -55.8987 17.2398 -75.2881 19.8448 90.6654 -24.7463 -73.8245 -24.4558 -14.4394 TIMING: 4268600 CPU: 12828.8, 0.0029877/step Wall: 12828.8, 0.0029877/step, 0.607001 hours remaining, 211.058594 MB of memory in use. ENERGY: 4268600 791.5545 2040.9880 1928.9569 108.1669 -206614.8877 17992.6748 0.0000 0.0000 34341.5664 -149410.9802 299.9134 -183752.5466 -149318.6265 299.2563 -159.8730 -127.3498 558966.3674 7.0340 6.7757 PRESSURE: 4268800 -62.0086 34.4664 -168.923 34.466 12.3467 -259.509 -168.923 -259.508 91.7854 GPRESSURE: 4268800 23.0808 101.177 -78.5728 19.5836 58.0912 -239.99 -184.194 -215.634 64.5043 PRESSAVG: 4268800 -63.2313 36.0583 -60.3564 36.0582 16.6112 1.86472 -60.3564 1.86479 62.3703 GPRESSAVG: 4268800 -62.7682 35.8658 -59.8579 35.1472 16.3425 3.22652 -60.5174 0.331913 62.1926 TIMING: 4268800 CPU: 12829.4, 0.00298882/step Wall: 12829.4, 0.00298882/step, 0.607062 hours remaining, 211.058594 MB of memory in use. ENERGY: 4268800 742.6280 2054.6049 1946.4842 102.8298 -206441.4114 17688.1401 0.0000 0.0000 34211.9625 -149694.7618 298.7816 -183906.7243 -149591.8148 298.9303 14.0411 48.5588 556410.7847 5.2501 5.2556 PRESSURE: 4269000 28.4412 72.9495 4.73855 72.9472 147.174 31.5549 4.73681 31.5541 -8.33115 GPRESSURE: 4269000 142.648 139.509 -15.0766 33.4712 150.635 61.1789 15.4965 -12.2978 -34.1121 PRESSAVG: 4269000 -20.6255 14.416 -26.1996 14.416 17.0078 -28.011 -26.1997 -28.0111 -24.3223 GPRESSAVG: 4269000 -22.1989 16.1846 -28.408 14.8798 18.0113 -27.6638 -25.7149 -28.4061 -23.4551 TIMING: 4269000 CPU: 12830, 0.00298852/step Wall: 12830, 0.00298852/step, 0.606835 hours remaining, 211.058594 MB of memory in use. ENERGY: 4269000 711.3736 2135.0691 1954.6230 108.6725 -206500.3029 17836.6214 0.0000 0.0000 34239.3255 -149514.6179 299.0205 -183753.9434 -149417.6558 298.2721 55.7615 86.3903 556801.0281 -9.3133 -9.2142 PRESSURE: 4269200 -168.101 -23.2888 57.5454 -23.2896 -16.6383 -37.767 57.5455 -37.767 -47.068 GPRESSURE: 4269200 -125.046 -24.0883 -25.0692 14.7955 30.0436 -49.2907 17.5488 -60.1787 -41.8929 PRESSAVG: 4269200 -14.7335 39.7427 27.4879 39.7427 -28.0608 -29.8024 27.4878 -29.8023 44.1986 GPRESSAVG: 4269200 -14.4302 36.6735 28.095 41.0995 -27.8625 -31.3478 27.4017 -28.4985 44.0829 TIMING: 4269200 CPU: 12830.6, 0.00298526/step Wall: 12830.6, 0.00298526/step, 0.606007 hours remaining, 211.058594 MB of memory in use. ENERGY: 4269200 751.4212 2097.2957 1957.5941 117.6181 -206347.9136 17753.1512 0.0000 0.0000 34188.7838 -149482.0496 298.5792 -183670.8333 -149388.4927 298.4287 -77.2692 -45.6319 557911.6694 0.4681 0.5967 PRESSURE: 4269400 63.6114 -30.2709 15.0626 -30.2712 -103.444 17.2413 15.0632 17.2406 195.618 GPRESSURE: 4269400 41.3989 -25.6368 33.1769 15.1486 -31.9156 14.3456 46.4128 -14.6284 244.859 PRESSAVG: 4269400 -17.7905 -1.87675 -18.0153 -1.87682 -0.876053 -30.87 -18.0153 -30.8701 20.3545 GPRESSAVG: 4269400 -17.0536 -0.728929 -17.0895 -4.53127 -1.3485 -30.437 -18.8385 -30.618 19.8594 TIMING: 4269400 CPU: 12831.2, 0.00298747/step Wall: 12831.2, 0.00298747/step, 0.606291 hours remaining, 211.058594 MB of memory in use. ENERGY: 4269400 721.6442 2116.1361 1927.0978 118.3146 -206345.8887 17670.0783 0.0000 0.0000 34285.4707 -149507.1470 299.4235 -183792.6176 -149407.8873 298.2444 51.9285 84.7809 557111.4574 0.5626 0.4858 PRESSURE: 4269600 -94.5026 -35.3202 50.9528 -35.3186 -76.0563 -147.442 50.9543 -147.442 -131.722 GPRESSURE: 4269600 -78.7749 -133.814 70.3705 -3.00706 -18.8816 -132.387 85.9313 -136.516 -109.62 PRESSAVG: 4269600 -48.2337 -3.20873 35.7614 -3.20875 56.7417 -46.0633 35.7614 -46.0634 0.979918 GPRESSAVG: 4269600 -48.2505 -4.78502 35.0502 -2.06426 57.0974 -44.5684 36.8188 -47.6256 0.642779 TIMING: 4269600 CPU: 12831.8, 0.00300391/step Wall: 12831.8, 0.00300391/step, 0.609459 hours remaining, 211.058594 MB of memory in use. ENERGY: 4269600 742.0068 2078.6570 1939.8393 114.8656 -206228.5982 17678.6041 0.0000 0.0000 34380.1537 -149294.4718 300.2504 -183674.6255 -149199.9686 298.7657 -100.7603 -69.0923 557227.0751 3.1626 3.1632 PRESSURE: 4269800 -209.367 75.524 139.745 75.5228 -59.9389 -101.888 139.745 -101.889 -30.8875 GPRESSURE: 4269800 -193.532 3.41955 106.394 137.571 -56.7685 -51.8599 163.867 -190.027 44.819 PRESSAVG: 4269800 29.4479 46.9395 -41.4618 46.9395 3.00502 -39.6633 -41.4618 -39.6633 -14.7791 GPRESSAVG: 4269800 28.8963 47.1189 -40.4679 46.2522 2.90671 -40.3359 -42.3729 -40.6393 -14.1573 TIMING: 4269800 CPU: 12832.4, 0.00299174/step Wall: 12832.4, 0.00299174/step, 0.606825 hours remaining, 211.058594 MB of memory in use. ENERGY: 4269800 711.4993 2123.7394 1969.1435 113.4589 -206095.2817 17543.2550 0.0000 0.0000 34236.4663 -149397.7191 298.9956 -183634.1855 -149303.0935 299.5724 -100.0645 -68.4939 557297.4938 5.8913 5.8819 PRESSURE: 4270000 310.159 79.4653 108.605 79.465 -126.165 -96.6149 108.605 -96.6132 -70.9723 GPRESSURE: 4270000 354.162 53.551 31.1642 162.968 -50.1271 -156.07 143.552 -93.7819 -82.6155 PRESSAVG: 4270000 -24.3601 -39.6224 24.3596 -39.6224 30.6797 -38.6985 24.3595 -38.6987 -1.72055 GPRESSAVG: 4270000 -24.5244 -38.9625 22.3452 -39.4538 30.3061 -37.3697 25.4037 -38.9185 -0.916073 TIMING: 4270000 CPU: 12833, 0.00298783/step Wall: 12833, 0.00298783/step, 0.605866 hours remaining, 211.261719 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: 4270000 754.0014 2141.0433 1924.4887 94.6122 -206615.8003 17947.4988 0.0000 0.0000 34209.1613 -149544.9946 298.7571 -183754.1559 -149455.1112 298.9564 37.6740 73.8066 557108.2883 1.5330 1.6219 PRESSURE: 4270200 56.7325 22.4992 24.7241 22.4997 -249.279 215.003 24.7229 215.001 75.9213 GPRESSURE: 4270200 68.0319 1.46355 -24.1228 5.88174 -171.008 268.571 22.6611 65.7532 84.2276 PRESSAVG: 4270200 32.5575 39.2139 -4.54794 39.2139 -66.3417 19.0468 -4.54792 19.0469 26.8013 GPRESSAVG: 4270200 32.6336 39.3052 -4.19416 38.4698 -65.8129 16.1798 -4.82002 19.9539 27.1191 TIMING: 4270200 CPU: 12833.6, 0.00298273/step Wall: 12833.6, 0.00298273/step, 0.604666 hours remaining, 211.261719 MB of memory in use. ENERGY: 4270200 763.9845 2079.2853 1947.9045 118.5220 -206523.2195 17814.9783 0.0000 0.0000 34223.2678 -149575.2770 298.8803 -183798.5449 -149474.0270 298.5005 -38.8751 -6.2496 557174.6866 -2.3276 -2.0201 PRESSURE: 4270400 89.537 75.4751 30.2765 75.4743 -116.641 -37.5042 30.2747 -37.5037 -303.957 GPRESSURE: 4270400 76.2145 159.311 -16.6197 5.58763 -70.8532 -49.861 45.0186 -19.5111 -248.577 PRESSAVG: 4270400 43.2798 -20.006 -17.9224 -20.006 -68.5476 8.90215 -17.9224 8.90219 -20.8306 GPRESSAVG: 4270400 44.5137 -21.5602 -19.3196 -18.5749 -68.3489 8.88563 -17.8348 10.3781 -22.3563 TIMING: 4270400 CPU: 12834.2, 0.0030072/step Wall: 12834.2, 0.0030072/step, 0.609458 hours remaining, 211.261719 MB of memory in use. ENERGY: 4270400 730.0115 2113.3456 1962.2584 123.1416 -206092.0246 17555.8004 0.0000 0.0000 34043.7000 -149563.7670 297.3121 -183607.4671 -149472.8595 298.1462 -110.3540 -81.0717 556301.1464 -15.3661 -15.3972 PRESSURE: 4270600 -61.3757 -24.7009 -71.5784 -24.7009 -97.8935 73.0648 -71.5771 73.0662 73.7003 GPRESSURE: 4270600 -39.5688 66.788 -59.063 -56.8687 -48.5107 83.0203 -47.9295 117.888 92.1879 PRESSAVG: 4270600 21.3051 4.06454 12.747 4.0645 -57.6623 -24.6048 12.7469 -24.6048 2.35472 GPRESSAVG: 4270600 20.7574 5.7723 17.0239 3.37478 -57.9245 -23.9354 9.60207 -28.2043 3.27071 TIMING: 4270600 CPU: 12834.8, 0.00297172/step Wall: 12834.8, 0.00297172/step, 0.602104 hours remaining, 211.261719 MB of memory in use. ENERGY: 4270600 758.9784 2063.0867 1972.4656 120.7020 -206294.8193 17642.9397 0.0000 0.0000 34139.8724 -149596.7744 298.1520 -183736.6468 -149496.3189 297.5367 -28.5229 1.3695 555796.5248 -11.3342 -11.2988 PRESSURE: 4270800 -91.3684 50.7819 -96.3696 50.7832 -319.587 -195.794 -96.3703 -195.793 -140.212 GPRESSURE: 4270800 -51.8745 46.9198 -116.549 70.6526 -268.971 -152.06 -86.7924 -247.71 -145.933 PRESSAVG: 4270800 65.5215 74.7492 -28.1759 74.7493 -17.4455 -21.3158 -28.1759 -21.3159 -42.551 GPRESSAVG: 4270800 65.9919 74.2723 -30.3189 74.3421 -16.6786 -21.0485 -26.409 -19.5766 -43.987 TIMING: 4270800 CPU: 12835.4, 0.0029741/step Wall: 12835.4, 0.0029741/step, 0.602421 hours remaining, 211.261719 MB of memory in use. ENERGY: 4270800 750.0866 2098.2988 1951.5559 119.1981 -206216.7393 17471.9876 0.0000 0.0000 34158.8769 -149666.7353 298.3180 -183825.6122 -149572.4131 297.9626 -183.7222 -155.5926 556492.2423 1.8417 1.7754 PRESSURE: 4271000 42.5618 -20.8835 -43.2705 -20.8822 13.4129 -119.574 -43.2692 -119.574 -81.4554 GPRESSURE: 4271000 115.944 -8.56301 -92.432 -11.8753 2.18534 -156.096 -50.2854 -92.6637 -47.7786 PRESSAVG: 4271000 31.1089 31.3015 -18.5361 31.3015 15.2136 -33.316 -18.536 -33.316 -60.1659 GPRESSAVG: 4271000 30.9067 31.9469 -19.15 30.5727 13.9973 -31.8296 -17.2632 -34.4584 -58.5595 TIMING: 4271000 CPU: 12836, 0.00298299/step Wall: 12836, 0.00298299/step, 0.604056 hours remaining, 211.261719 MB of memory in use. ENERGY: 4271000 716.1117 2096.4047 1939.1170 107.2763 -206360.0583 17728.0524 0.0000 0.0000 33987.0011 -149786.0951 296.8169 -183773.0962 -149688.7325 297.5319 -8.4935 23.4502 555812.7298 -4.6145 -4.5518 PRESSURE: 4271200 11.8497 -89.8227 72.5851 -89.8227 139.067 -175.728 72.5854 -175.728 66.8744 GPRESSURE: 4271200 55.3414 -165.792 110.829 -90.0009 178.835 -183.606 -0.242294 -139.116 84.3618 PRESSAVG: 4271200 50.9248 -49.4005 -22.5522 -49.4005 -65.2985 0.531769 -22.5522 0.531801 -8.05581 GPRESSAVG: 4271200 50.169 -51.2046 -22.4057 -46.4656 -63.3619 -1.19911 -23.1995 0.00851358 -9.29717 TIMING: 4271200 CPU: 12836.6, 0.00296568/step Wall: 12836.6, 0.00296568/step, 0.600386 hours remaining, 211.261719 MB of memory in use. ENERGY: 4271200 740.8487 1990.8683 1963.0531 120.0421 -206480.7552 17845.9554 0.0000 0.0000 34222.8189 -149597.1687 298.8764 -183819.9876 -149501.5518 298.1669 72.5969 106.1795 555885.8213 -7.4765 -7.4967 PRESSURE: 4271400 -303.127 -100.668 64.5447 -100.666 -299.646 47.1741 64.545 47.1725 183.855 GPRESSURE: 4271400 -254.995 -74.5259 112.656 -22.5165 -260.863 30.155 59.8341 10.7794 194.12 PRESSAVG: 4271400 4.04987 -8.7762 -21.0718 -8.7761 -18.9447 -67.6513 -21.0718 -67.6514 -22.2357 GPRESSAVG: 4271400 4.536 -6.74056 -21.2458 -9.316 -20.8468 -67.7882 -19.862 -65.2676 -20.888 TIMING: 4271400 CPU: 12837.2, 0.00297473/step Wall: 12837.2, 0.00297473/step, 0.602052 hours remaining, 211.261719 MB of memory in use. ENERGY: 4271400 748.8682 2110.2394 1969.7851 114.1250 -206212.3112 17583.6595 0.0000 0.0000 34099.1929 -149586.4411 297.7967 -183685.6340 -149491.1717 298.2501 -139.6395 -107.2460 558616.7562 -12.3768 -12.3996 PRESSURE: 4271600 85.8039 -153.25 25.7391 -153.249 -90.4775 -45.8862 25.7372 -45.8847 62.7507 GPRESSURE: 4271600 120.398 -70.6218 2.41205 -191.484 -97.7923 39.7813 75.6741 -13.8559 129.715 PRESSAVG: 4271600 1.2719 -15.621 51.3075 -15.621 -40.3482 -16.5915 51.3075 -16.5916 16.1016 GPRESSAVG: 4271600 2.18365 -14.1332 51.7922 -16.8242 -40.3798 -17.5045 49.3397 -17.4862 15.3144 TIMING: 4271600 CPU: 12837.7, 0.00296517/step Wall: 12837.7, 0.00296517/step, 0.599952 hours remaining, 211.261719 MB of memory in use. ENERGY: 4271600 754.6346 2055.5802 1956.1193 114.8740 -206646.3861 17981.6532 0.0000 0.0000 34330.4080 -149453.1168 299.8160 -183783.5248 -149351.9199 298.2868 19.3590 50.7737 556624.7230 -7.6583 -7.6273 PRESSURE: 4271800 83.3008 -123.183 -1.29069 -123.183 -90.8883 -10.9478 -1.29034 -10.9469 196.138 GPRESSURE: 4271800 129.326 -71.8827 -62.5756 -60.354 -72.3304 31.9044 75.4091 -33.7566 241.076 PRESSAVG: 4271800 -28.0987 -26.7517 -4.8226 -26.7518 -28.1621 7.15378 -4.8225 7.15381 20.6342 GPRESSAVG: 4271800 -29.6855 -29.4806 -3.67377 -25.8286 -27.3718 10.2602 -4.18769 5.45879 21.0274 TIMING: 4271800 CPU: 12838.3, 0.00296482/step Wall: 12838.3, 0.00296482/step, 0.599717 hours remaining, 211.261719 MB of memory in use. ENERGY: 4271800 755.6507 2097.6228 1940.4305 111.9235 -206408.9896 17948.5488 0.0000 0.0000 34213.3813 -149341.4321 298.7940 -183554.8134 -149252.3261 298.8751 62.8501 99.3572 559276.7998 -11.8755 -12.0100 PRESSURE: 4272000 69.6348 -9.91956 57.9779 -9.91937 27.3452 -19.2374 57.9761 -19.2391 -125.235 GPRESSURE: 4272000 78.1795 3.54854 107.9 69.0373 37.2105 -39.5284 56.9851 -49.3378 -36.515 PRESSAVG: 4272000 -15.879 -68.949 -14.2266 -68.9489 0.390147 6.10381 -14.2266 6.10368 -15.9017 GPRESSAVG: 4272000 -14.7767 -67.6125 -14.2243 -71.0189 0.173788 4.15826 -12.8809 8.32875 -16.9294 TIMING: 4272000 CPU: 12838.9, 0.002972/step Wall: 12838.9, 0.002972/step, 0.601004 hours remaining, 211.261719 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: 4272000 803.6546 2060.6898 1967.0500 107.1922 -206422.7429 18038.7680 0.0000 0.0000 34063.1578 -149382.2306 297.4820 -183445.3884 -149293.5047 298.5964 -9.4184 26.2916 558073.3002 -10.4635 -10.5107 PRESSURE: 4272200 17.3921 40.1081 46.3675 40.1063 48.1284 -15.7519 46.369 -15.7524 50.3456 GPRESSURE: 4272200 65.1886 -51.3966 63.092 115.665 75.6845 -14.6812 16.0225 -11.0765 63.712 PRESSAVG: 4272200 13.3626 -38.1285 59.8676 -38.1286 -30.9093 -38.3934 59.8676 -38.3935 26.1965 GPRESSAVG: 4272200 11.6746 -37.5044 60.161 -36.6463 -31.437 -39.8639 60.0622 -38.1678 28.1094 TIMING: 4272200 CPU: 12839.5, 0.00293448/step Wall: 12839.5, 0.00293448/step, 0.593254 hours remaining, 211.261719 MB of memory in use. ENERGY: 4272200 753.6135 2102.1955 1950.9511 124.0473 -206430.1755 17915.0668 0.0000 0.0000 34130.1964 -149454.1050 298.0675 -183584.3014 -149352.0050 298.1551 38.6220 68.1950 557362.5770 2.8833 2.7823 LDB: ============= START OF LOAD BALANCING ============== 12843 LDB: ============== END OF LOAD BALANCING =============== 12843 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12843 LDB: ============= START OF LOAD BALANCING ============== 12843.3 LDB: Largest compute 4802 load 0.028230 is 23.9% of average load 0.118133 LDB: Average compute 0.001733 is 1.5% of average load 0.118133 LDB: TIME 12843.3 LOAD: AVG 0.118133 MAX 0.201996 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.027 MB LDB: TIME 12843.3 LOAD: AVG 0.118133 MAX 0.201996 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.027 MB LDB: TIME 12843.3 LOAD: AVG 0.118133 MAX 0.201996 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.027 MB LDB: ============== END OF LOAD BALANCING =============== 12843.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12843.3 PRESSURE: 4272400 185.603 16.7565 66.9686 16.7567 -53.0393 -105.126 66.968 -105.128 158.467 GPRESSURE: 4272400 222.081 63.5521 113.848 -14.849 -86.4803 -101.124 53.0978 -113.308 249.624 PRESSAVG: 4272400 25.3928 18.6897 5.13086 18.6898 -35.729 6.6133 5.13088 6.61321 -33.2025 GPRESSAVG: 4272400 26.9251 18.3086 4.44871 17.6427 -35.1968 6.77116 5.41357 5.581 -35.1812 TIMING: 4272400 CPU: 12840.1, 0.00299169/step Wall: 12840.1, 0.00299169/step, 0.604654 hours remaining, 209.335938 MB of memory in use. ENERGY: 4272400 741.6125 2162.8781 1914.2461 99.5327 -206216.3137 17948.8626 0.0000 0.0000 34017.3736 -149331.8081 297.0822 -183349.1817 -149242.7727 299.0118 97.0104 128.4080 557289.5979 -14.5129 -14.4843 PRESSURE: 4272600 39.4501 -136.313 -245.376 -136.314 -82.3721 -91.7047 -245.375 -91.7063 56.3348 GPRESSURE: 4272600 75.919 -213.392 -305.344 -99.095 -40.4986 -104.404 -189.086 -63.2534 76.6202 PRESSAVG: 4272600 50.8525 -46.9033 -57.2214 -46.9033 -5.81129 20.2348 -57.2214 20.2349 -15.8418 GPRESSAVG: 4272600 50.5067 -48.0694 -57.2401 -46.6964 -6.30052 22.336 -58.4363 20.957 -14.9875 TIMING: 4272600 CPU: 12840.7, 0.00293707/step Wall: 12840.7, 0.00293707/step, 0.593451 hours remaining, 209.335938 MB of memory in use. ENERGY: 4272600 762.6611 2105.5499 1935.3545 111.2240 -206449.5716 17941.6643 0.0000 0.0000 34347.2048 -149245.9128 299.9627 -183593.1177 -149149.3818 298.9320 4.4709 37.3469 558453.1677 9.7331 9.7396 PRESSURE: 4272800 -11.0866 -47.5797 -141.862 -47.5786 -121.984 -50.4172 -141.861 -50.4162 -2.936 GPRESSURE: 4272800 -29.4743 -104.003 -163.512 -111.412 4.30322 -15.7457 -80.5135 -119.569 -25.8129 PRESSAVG: 4272800 1.34598 -7.78668 -4.02413 -7.78663 -26.39 38.96 -4.02412 38.9601 -2.87337 GPRESSAVG: 4272800 -0.0563911 -6.56213 -3.4031 -8.56144 -26.0729 37.8113 -5.09334 39.43 -2.06252 TIMING: 4272800 CPU: 12841.3, 0.00293402/step Wall: 12841.3, 0.00293402/step, 0.592672 hours remaining, 209.335938 MB of memory in use. ENERGY: 4272800 732.3354 2076.0385 1938.3711 106.8756 -206341.6202 17870.2055 0.0000 0.0000 34113.4459 -149504.3482 297.9212 -183617.7941 -149412.1830 298.3604 -45.3357 -16.9947 558775.5958 -9.3058 -9.3973 PRESSURE: 4273000 -64.2747 221.939 122.056 221.939 -418.052 -130.593 122.054 -130.593 -265.208 GPRESSURE: 4273000 -11.6593 206.729 95.9673 221.303 -405.575 -147.369 52.4549 -49.8166 -231.538 PRESSAVG: 4273000 -28.8381 -17.8241 -0.360539 -17.8242 15.266 -44.5035 -0.360686 -44.5036 9.03134 GPRESSAVG: 4273000 -27.6153 -18.5914 -0.271526 -16.7641 14.7814 -43.4099 0.442593 -45.1604 7.97006 TIMING: 4273000 CPU: 12841.9, 0.00295547/step Wall: 12841.9, 0.00295547/step, 0.59684 hours remaining, 209.335938 MB of memory in use. ENERGY: 4273000 740.5993 2139.0931 1938.0928 114.5391 -205772.1874 17512.6957 0.0000 0.0000 34069.6710 -149257.4965 297.5389 -183327.1675 -149148.6647 298.4585 -249.1782 -216.2572 560272.8786 -1.5136 -1.6213 PRESSURE: 4273200 408.806 164.646 23.1521 164.646 -30.2049 72.2213 23.1519 72.2212 -94.9431 GPRESSURE: 4273200 329.687 223.532 -13.1871 184.566 51.5565 59.696 41.2105 82.4532 -5.78874 PRESSAVG: 4273200 20.6731 34.0884 -35.0447 34.0884 -51.1947 -31.8893 -35.0448 -31.8891 32.0934 GPRESSAVG: 4273200 19.6067 35.3397 -34.76 34.9029 -51.0089 -34.2723 -34.4835 -28.8731 32.52 TIMING: 4273200 CPU: 12842.5, 0.00299096/step Wall: 12842.5, 0.00299096/step, 0.603841 hours remaining, 209.335938 MB of memory in use. ENERGY: 4273200 701.2213 2153.4018 1938.2989 105.0376 -206210.7080 17830.5151 0.0000 0.0000 34285.6356 -149196.5977 299.4250 -183482.2333 -149104.8280 298.8531 94.5525 125.1514 558379.4270 0.5239 0.3726 PRESSURE: 4273400 47.3788 154.339 -36.321 154.34 210.944 -178.137 -36.3207 -178.139 -60.7665 GPRESSURE: 4273400 132.171 165.498 -77.3074 164.79 229.954 -216.438 -29.8666 -63.9865 -76.1913 PRESSAVG: 4273400 81.1649 -0.759724 -6.25273 -0.759729 -52.9172 21.9509 -6.25281 21.9509 -18.6665 GPRESSAVG: 4273400 81.5739 -2.15942 -6.69739 -2.55453 -52.1965 23.033 -6.12949 20.1789 -19.6296 TIMING: 4273400 CPU: 12843.1, 0.00298358/step Wall: 12843.1, 0.00298358/step, 0.602186 hours remaining, 209.335938 MB of memory in use. ENERGY: 4273400 737.3275 2034.9052 1947.1283 138.4677 -206401.9933 18000.2430 0.0000 0.0000 34374.0993 -149169.8223 300.1976 -183543.9216 -149073.4486 299.8396 65.8520 95.3112 557413.3226 3.1937 3.2492 PRESSURE: 4273600 269.175 -6.66893 -122.38 -6.66948 -70.8738 110.894 -122.379 110.894 282.157 GPRESSURE: 4273600 276.532 51.6085 -162.303 7.49378 -6.75336 104.491 -109.725 144.251 312.199 PRESSAVG: 4273600 21.2876 20.8445 -20.632 20.8444 9.39742 31.2953 -20.632 31.2954 -14.5363 GPRESSAVG: 4273600 21.2388 21.0915 -20.5416 21.3589 8.02909 32.7433 -21.5617 30.5369 -13.1468 TIMING: 4273600 CPU: 12843.7, 0.00298596/step Wall: 12843.7, 0.00298596/step, 0.602501 hours remaining, 209.539062 MB of memory in use. ENERGY: 4273600 791.1698 2058.2729 1950.0901 110.3714 -206554.0703 18186.1338 0.0000 0.0000 34229.0299 -149229.0023 298.9306 -183458.0322 -149128.6628 299.4857 160.1526 193.9925 556036.3245 5.3829 5.3737 PRESSURE: 4273800 349.581 -26.1611 146.816 -26.1589 -24.7751 -70.5694 146.815 -70.5691 6.84974 GPRESSURE: 4273800 344.856 -32.3079 170.909 -5.36525 15.3301 -35.8317 155.929 38.01 57.5762 PRESSAVG: 4273800 33.865 -6.08454 -27.2686 -6.0845 -0.608722 13.748 -27.2685 13.7479 -6.52808 GPRESSAVG: 4273800 32.9885 -5.22851 -27.958 -6.8938 0.322635 9.86527 -25.5901 14.8247 -6.9531 TIMING: 4273800 CPU: 12844.3, 0.00299157/step Wall: 12844.3, 0.00299157/step, 0.603467 hours remaining, 209.539062 MB of memory in use. ENERGY: 4273800 773.0027 2064.7051 1959.6226 112.7144 -206494.7328 17932.0810 0.0000 0.0000 34219.9872 -149432.6198 298.8517 -183652.6070 -149336.9666 298.5702 110.5517 139.2541 556069.0282 8.9094 8.7860 PRESSURE: 4274000 -102.401 -150.815 45.9942 -150.816 -111.163 -133.106 45.9944 -133.105 -158.072 GPRESSURE: 4274000 -85.8798 -52.1315 124.913 -153.287 -98.577 -59.5926 90.68 -130.603 -105.085 PRESSAVG: 4274000 -19.9683 -62.4092 45.0817 -62.4093 22.7761 -20.1226 45.0816 -20.1225 16.8555 GPRESSAVG: 4274000 -18.4116 -62.6123 45.3083 -61.5405 21.9896 -16.326 44.2337 -20.21 15.6248 TIMING: 4274000 CPU: 12844.9, 0.00298018/step Wall: 12844.9, 0.00298018/step, 0.601002 hours remaining, 209.539062 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: 4274000 776.8089 2049.2801 1989.1970 116.5180 -206327.6581 17678.3002 0.0000 0.0000 34302.0865 -149415.4673 299.5687 -183717.5538 -149316.1477 299.5828 -123.8788 -96.5138 556262.4983 6.5544 6.4009 PRESSURE: 4274200 -272.224 61.1211 14.5242 61.1204 158.839 49.4042 14.5231 49.4034 -10.0494 GPRESSURE: 4274200 -207.719 56.6358 -19.4763 14.335 160.842 109.467 121.875 -20.1989 15.7294 PRESSAVG: 4274200 -40.1012 -63.5219 -27.6475 -63.5219 39.0236 -35.11 -27.6475 -35.11 41.5752 GPRESSAVG: 4274200 -41.3095 -62.8488 -27.7736 -62.6518 38.9079 -34.8822 -29.2012 -37.5383 43.4088 TIMING: 4274200 CPU: 12845.5, 0.0029776/step Wall: 12845.5, 0.0029776/step, 0.600318 hours remaining, 209.539062 MB of memory in use. ENERGY: 4274200 744.5905 2098.4909 1930.4679 110.1089 -206317.4959 17625.9822 0.0000 0.0000 34259.6432 -149548.2122 299.1980 -183807.8554 -149456.8494 298.9767 -41.1446 -10.3827 555372.2611 13.4992 13.6691 PRESSURE: 4274400 26.1401 146.666 45.5089 146.667 -144.633 -23.7142 45.5096 -23.7133 -117.692 GPRESSURE: 4274400 52.9025 78.68 39.2323 112.284 -105.15 18.6534 9.91294 -15.6041 -87.2612 PRESSAVG: 4274400 11.5308 7.90064 -10.1197 7.90062 19.507 -30.0084 -10.1197 -30.0084 -45.9038 GPRESSAVG: 4274400 12.418 6.93465 -8.43567 8.4061 19.2363 -29.369 -10.0349 -29.2902 -46.534 TIMING: 4274400 CPU: 12846.1, 0.00297315/step Wall: 12846.1, 0.00297315/step, 0.599255 hours remaining, 209.539062 MB of memory in use. ENERGY: 4274400 718.8828 2099.5359 1927.9247 115.2502 -206408.5887 17742.8999 0.0000 0.0000 34204.6071 -149599.4882 298.7173 -183804.0953 -149503.4841 299.0557 -78.7283 -46.5029 556193.1214 -4.9553 -4.9599 PRESSURE: 4274600 -50.3093 -68.1247 67.2221 -68.1256 -170.33 -3.3998 67.2213 -3.40021 -123.429 GPRESSURE: 4274600 -7.53718 -18.7116 7.7713 -103.264 -179.378 4.3832 52.0806 54.2206 -54.8805 PRESSAVG: 4274600 24.7244 -8.91254 43.1509 -8.91255 -8.8941 -10.4687 43.1509 -10.4688 -16.9715 GPRESSAVG: 4274600 24.2172 -9.62988 41.1598 -10.594 -7.99494 -12.8952 45.4857 -9.29486 -17.2274 TIMING: 4274600 CPU: 12846.7, 0.00297151/step Wall: 12846.7, 0.00297151/step, 0.59876 hours remaining, 209.539062 MB of memory in use. ENERGY: 4274600 740.2354 2146.3803 1937.9329 112.7019 -205751.9345 17387.8512 0.0000 0.0000 34016.6254 -149410.2075 297.0757 -183426.8328 -149317.5836 299.1191 -114.6894 -80.5985 556606.5056 -0.3804 -0.3350 PRESSURE: 4274800 225.772 95.6799 153.07 95.6787 142.107 -4.70512 153.07 -4.70506 255.666 GPRESSURE: 4274800 167.712 143.596 123.46 61.2082 234.947 49.3163 238.101 -26.2722 305.148 PRESSAVG: 4274800 6.89573 1.53398 61.2491 1.53411 -2.2789 13.009 61.2491 13.0092 0.981144 GPRESSAVG: 4274800 6.45537 2.08925 61.8683 2.04662 -1.76246 13.329 59.8714 12.986 0.686024 TIMING: 4274800 CPU: 12847.2, 0.00294779/step Wall: 12847.2, 0.00294779/step, 0.593817 hours remaining, 209.539062 MB of memory in use. ENERGY: 4274800 723.4936 2091.2911 1951.5705 123.8409 -206503.3656 17995.5602 0.0000 0.0000 34183.8623 -149433.7469 298.5362 -183617.6092 -149335.4445 298.8363 207.8482 235.9356 555426.6143 1.8660 1.7930 PRESSURE: 4275000 17.9101 46.2103 183.323 46.2095 -72.3637 -55.1071 183.323 -55.1094 106.691 GPRESSURE: 4275000 94.5546 151.16 173.129 -25.9357 -15.9973 -55.4918 76.9599 7.7184 56.1612 PRESSAVG: 4275000 -5.79847 78.8991 25.3496 78.8992 -36.3373 -7.91974 25.3496 -7.91966 9.06825 GPRESSAVG: 4275000 -3.78468 81.6511 25.7711 76.3079 -37.8691 -6.15276 24.5367 -8.30705 8.91664 TIMING: 4275000 CPU: 12847.8, 0.00297331/step Wall: 12847.8, 0.00297331/step, 0.598792 hours remaining, 209.539062 MB of memory in use. ENERGY: 4275000 738.0836 2085.1675 1961.7793 110.9131 -206352.5071 17927.3141 0.0000 0.0000 34247.7385 -149281.5111 299.0940 -183529.2496 -149185.5410 299.4834 17.4124 44.9062 557046.0357 -11.0225 -10.9124 PRESSURE: 4275200 144.992 -34.6699 40.014 -34.6696 541.593 104.501 40.0127 104.501 34.577 GPRESSURE: 4275200 181.578 26.5652 21.3073 -81.8923 600.152 146.897 52.173 124.533 32.5518 PRESSAVG: 4275200 5.58552 25.1573 5.31882 25.1572 73.6117 -40.4852 5.31886 -40.4852 -8.22545 GPRESSAVG: 4275200 4.18901 21.7162 4.26614 27.7218 74.4987 -41.0726 6.93472 -40.2413 -7.92178 TIMING: 4275200 CPU: 12848.4, 0.00301092/step Wall: 12848.4, 0.00301092/step, 0.606198 hours remaining, 209.539062 MB of memory in use. ENERGY: 4275200 733.1811 2078.0859 1941.6568 117.6101 -206373.4041 18243.1508 0.0000 0.0000 34102.9996 -149156.7199 297.8300 -183259.7194 -149059.9828 299.1406 240.3873 271.4272 558502.6244 23.6573 23.5886 PRESSURE: 4275400 -129.495 -28.0862 39.6787 -28.087 -97.0726 123.787 39.6784 123.787 -268.181 GPRESSURE: 4275400 -142.101 35.2518 107.414 -30.3681 -49.4342 115.056 -0.441248 106.213 -204.014 PRESSAVG: 4275400 -65.6385 13.334 4.8651 13.334 48.7441 31.7866 4.86504 31.7866 -8.50971 GPRESSAVG: 4275400 -65.4987 14.0588 7.86055 11.7936 49.944 31.0701 4.32927 32.5535 -9.30156 TIMING: 4275400 CPU: 12849, 0.00296737/step Wall: 12849, 0.00296737/step, 0.597265 hours remaining, 209.539062 MB of memory in use. ENERGY: 4275400 742.1834 2105.3707 1966.6755 112.1513 -206120.5980 17696.0397 0.0000 0.0000 34300.3966 -149197.7808 299.5539 -183498.1774 -149098.9849 298.8439 -164.9162 -131.8500 559672.8752 -8.4680 -8.2854 PRESSURE: 4275600 -59.4174 -123.808 -75.8104 -123.807 215.805 153.011 -75.8089 153.013 -52.2213 GPRESSURE: 4275600 -45.5711 -146.526 -76.714 -127.221 207.574 124.608 -61.2488 189.225 16.8505 PRESSAVG: 4275600 -40.5307 10.9262 -55.1586 10.9263 67.2119 -39.6225 -55.1585 -39.6224 -24.0458 GPRESSAVG: 4275600 -39.8539 12.6405 -56.5207 11.6987 66.3326 -40.3151 -55.5433 -39.8213 -23.5552 TIMING: 4275600 CPU: 12849.6, 0.00299912/step Wall: 12849.6, 0.00299912/step, 0.60349 hours remaining, 209.539062 MB of memory in use. ENERGY: 4275600 708.6660 2123.7768 1921.3783 119.5848 -206415.1358 17973.2655 0.0000 0.0000 34417.2515 -149151.2130 300.5744 -183568.4644 -149061.7278 299.7619 34.7221 59.6180 557804.5463 0.8785 0.9745 PRESSURE: 4275800 0.0597452 132.867 0.837062 132.867 90.2253 137.72 0.837274 137.719 -94.7076 GPRESSURE: 4275800 36.6745 84.519 69.7679 131.185 82.665 68.7148 15.1976 169.466 -23.4582 PRESSAVG: 4275800 -6.41535 18.1126 -48.8257 18.1127 39.1201 30.0895 -48.8257 30.0895 -9.55477 GPRESSAVG: 4275800 -7.0272 17.6849 -51.0038 18.3906 40.2918 30.4298 -48.7796 29.2692 -9.54832 TIMING: 4275800 CPU: 12850.2, 0.00301915/step Wall: 12850.2, 0.00301915/step, 0.607353 hours remaining, 209.539062 MB of memory in use. ENERGY: 4275800 766.4414 2108.2045 1932.8606 107.6561 -206171.5537 17817.1443 0.0000 0.0000 34151.6402 -149287.6066 298.2548 -183439.2468 -149184.8917 299.5248 -1.4742 31.9604 559706.8697 7.7166 7.9054 PRESSURE: 4276000 9.11064 106.469 -62.4732 106.469 1.0112 99.1815 -62.4729 99.1832 -80.1432 GPRESSURE: 4276000 60.9514 120.707 -62.6016 86.5938 -2.31418 151.057 65.8265 42.1498 -17.8249 PRESSAVG: 4276000 -30.5447 49.416 23.9652 49.416 -8.66124 -16.047 23.9653 -16.047 44.324 GPRESSAVG: 4276000 -30.6369 49.8583 26.4143 47.7376 -8.98578 -15.0162 25.2838 -16.9161 44.4631 TIMING: 4276000 CPU: 12850.8, 0.0030538/step Wall: 12850.8, 0.0030538/step, 0.614153 hours remaining, 209.539062 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: 4276000 730.6982 2083.1790 1936.4426 103.9909 -206148.5980 17839.2380 0.0000 0.0000 34231.6812 -149223.3682 298.9538 -183455.0494 -149123.2913 298.3731 -23.3404 13.6041 558036.5967 1.7060 1.6135 PRESSURE: 4276200 -56.1769 160.098 -71.9689 160.097 235.008 -117.683 -71.9688 -117.682 44.0566 GPRESSURE: 4276200 -34.3913 122.194 -39.1118 78.0207 259.568 -138.718 -31.3701 -182.996 83.6304 PRESSAVG: 4276200 -0.927149 17.4143 15.7624 17.4143 36.2031 -40.3811 15.7624 -40.381 -54.232 GPRESSAVG: 4276200 -0.330148 18.042 15.6202 16.5055 36.0116 -39.1327 13.9096 -38.7221 -54.433 TIMING: 4276200 CPU: 12851.5, 0.00303813/step Wall: 12851.5, 0.00303813/step, 0.610832 hours remaining, 209.539062 MB of memory in use. ENERGY: 4276200 705.1203 2096.4748 1951.5001 131.3431 -206175.7389 17854.3226 0.0000 0.0000 34233.1449 -149203.8332 298.9666 -183436.9781 -149106.2568 298.9055 74.2959 102.9356 556934.4284 -6.3187 -6.2505 LDB: ============= START OF LOAD BALANCING ============== 12855 LDB: ============== END OF LOAD BALANCING =============== 12855 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12855 LDB: ============= START OF LOAD BALANCING ============== 12855.3 LDB: Largest compute 4802 load 0.028770 is 24.3% of average load 0.118178 LDB: Average compute 0.001727 is 1.5% of average load 0.118178 LDB: TIME 12855.3 LOAD: AVG 0.118178 MAX 0.20962 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.965 MB LDB: TIME 12855.3 LOAD: AVG 0.118178 MAX 0.20962 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.211 MB LDB: TIME 12855.3 LOAD: AVG 0.118178 MAX 0.20962 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.211 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12855.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12855.3 PRESSURE: 4276400 -119.568 -49.2187 -84.6855 -49.2194 -235.82 -56.0836 -84.6866 -56.0836 -41.4306 GPRESSURE: 4276400 -119.5 -41.9905 -109.741 -52.9868 -179.057 -6.51676 -61.4445 -7.37507 -12.467 PRESSAVG: 4276400 13.066 4.90305 31.6724 4.90313 33.8635 46.5033 31.6725 46.5032 -62.0316 GPRESSAVG: 4276400 12.8037 1.03308 29.8374 6.16391 34.5034 45.6629 32.2005 44.5879 -62.252 TIMING: 4276400 CPU: 12852.1, 0.00306182/step Wall: 12852.1, 0.00306182/step, 0.615426 hours remaining, 207.406250 MB of memory in use. ENERGY: 4276400 751.4019 2023.2345 1965.5476 110.9813 -206095.9351 17689.9945 0.0000 0.0000 34341.9280 -149212.8474 299.9166 -183554.7754 -149112.5995 298.7361 -132.2728 -103.6746 558847.9980 -5.0340 -4.9816 PRESSURE: 4276600 -68.2062 37.2482 -96.531 37.2479 151.572 141.645 -96.5309 141.646 -33.0182 GPRESSURE: 4276600 -51.673 64.1952 -99.8784 -27.0581 271.329 43.3041 -52.0664 165.615 -64.4214 PRESSAVG: 4276600 4.36158 -43.3498 -6.93974 -43.3496 19.8522 11.9185 -6.93982 11.9185 6.03396 GPRESSAVG: 4276600 4.21548 -40.8435 -6.86976 -42.3529 20.5389 9.91394 -6.55157 12.6617 5.58006 TIMING: 4276600 CPU: 12852.7, 0.0029915/step Wall: 12852.7, 0.0029915/step, 0.601126 hours remaining, 207.406250 MB of memory in use. ENERGY: 4276600 734.5738 2068.8654 1929.3206 100.6760 -206604.5907 17970.7533 0.0000 0.0000 34390.7213 -149409.6801 300.3427 -183800.4015 -149316.0881 298.9011 16.7826 51.7449 558060.9620 10.0826 10.1115 PRESSURE: 4276800 -246.936 202.665 20.9646 202.664 -284.207 2.21943 20.9636 2.22101 -157.902 GPRESSURE: 4276800 -98.7297 264.767 45.8874 270.705 -300.9 14.1022 48.2979 -16.2653 -184.48 PRESSAVG: 4276800 -57.1607 -7.02907 47.6366 -7.02901 58.1984 30.7936 47.6366 30.7936 -3.49419 GPRESSAVG: 4276800 -57.413 -7.35697 46.7392 -6.22587 57.1744 30.3176 49.2343 29.5027 -2.5521 TIMING: 4276800 CPU: 12853.3, 0.00300981/step Wall: 12853.3, 0.00300981/step, 0.604637 hours remaining, 207.406250 MB of memory in use. ENERGY: 4276800 758.4887 2079.1884 1941.9880 106.0256 -206039.6581 17566.9078 0.0000 0.0000 34169.1117 -149417.9481 298.4074 -183587.0597 -149316.8290 298.6681 -229.6816 -194.7030 558527.8674 -0.8189 -0.9302 PRESSURE: 4277000 137.865 -79.167 -3.42202 -79.1663 18.4722 99.7409 -3.42212 99.7425 58.4882 GPRESSURE: 4277000 162.257 -65.1732 69.2741 3.3426 15.1122 75.0839 -28.0023 131.938 131.895 PRESSAVG: 4277000 -19.1034 10.5739 -31.3568 10.5739 -3.82474 24.0324 -31.3568 24.0322 6.75193 GPRESSAVG: 4277000 -18.3547 10.3279 -29.4702 9.5095 -3.73347 25.7077 -31.6989 23.6514 6.3089 TIMING: 4277000 CPU: 12853.9, 0.00299452/step Wall: 12853.9, 0.00299452/step, 0.6014 hours remaining, 207.406250 MB of memory in use. ENERGY: 4277000 733.3888 2086.6357 1953.4712 110.9258 -206433.0092 17796.3773 0.0000 0.0000 34364.6208 -149387.5896 300.1148 -183752.2103 -149288.9954 299.3503 71.6084 103.0879 555895.9503 -5.3921 -5.2597 PRESSURE: 4277200 -198.496 -62.0987 119.133 -62.0976 152.938 54.5793 119.133 54.5805 -248.61 GPRESSURE: 4277200 -130.311 -79.1658 50.5993 -76.4361 177.333 99.2452 134.627 -28.1576 -236.975 PRESSAVG: 4277200 -41.9224 -12.5943 37.8443 -12.5942 -5.49042 7.45871 37.8443 7.4587 52.9917 GPRESSAVG: 4277200 -42.4233 -15.4941 36.3279 -12.7225 -4.91225 6.59227 36.9719 8.54134 52.8087 TIMING: 4277200 CPU: 12854.5, 0.00299594/step Wall: 12854.5, 0.00299594/step, 0.601518 hours remaining, 207.406250 MB of memory in use. ENERGY: 4277200 741.6589 2038.5363 1934.0322 114.9370 -206020.8721 17646.4458 0.0000 0.0000 34093.4219 -149451.8401 297.7463 -183545.2619 -149367.3164 298.6104 -98.0560 -63.3179 557720.6023 1.8596 1.8244 PRESSURE: 4277400 -90.0794 3.91621 110.229 3.91746 -349.521 -8.00452 110.229 -8.006 -50.8051 GPRESSURE: 4277400 -70.9227 9.25774 57.7102 -21.3288 -312.89 39.7611 168.07 -69.7581 2.00675 PRESSAVG: 4277400 15.4094 16.3077 6.98266 16.3076 23.0237 -13.8673 6.98267 -13.8672 -2.8309 GPRESSAVG: 4277400 15.9111 18.9347 7.46035 16.7619 22.8344 -14.06 7.90576 -13.3337 -3.25317 TIMING: 4277400 CPU: 12855.1, 0.00301758/step Wall: 12855.1, 0.00301758/step, 0.605695 hours remaining, 207.406250 MB of memory in use. ENERGY: 4277400 773.3572 2031.0360 1916.4330 111.1898 -206002.0349 17589.8113 0.0000 0.0000 34212.0940 -149368.1136 298.7827 -183580.2076 -149272.0503 298.6195 -163.4684 -127.2686 558047.0457 11.8674 11.8308 PRESSURE: 4277600 38.0587 -17.2731 -76.812 -17.2727 208.517 31.5151 -76.8129 31.5136 310.597 GPRESSURE: 4277600 93.4368 -3.2994 -103.657 -50.968 218.212 -76.3492 -37.8522 80.6009 339.397 PRESSAVG: 4277600 -51.0116 -27.9838 -54.9337 -27.9837 3.42008 26.0045 -54.9338 26.0044 41.7187 GPRESSAVG: 4277600 -52.0705 -29.812 -52.5801 -27.218 3.8191 26.3888 -55.9154 25.2221 42.6548 TIMING: 4277600 CPU: 12855.7, 0.00299446/step Wall: 12855.7, 0.00299446/step, 0.600888 hours remaining, 207.406250 MB of memory in use. ENERGY: 4277600 747.6818 2063.0885 1952.3257 101.6687 -206551.5344 18104.6826 0.0000 0.0000 34122.2386 -149459.8486 297.9980 -183582.0872 -149366.0044 298.6532 185.7242 217.0152 556586.5017 -1.9576 -1.8655 PRESSURE: 4277800 51.6287 68.6902 -41.4223 68.6917 109.575 68.9946 -41.422 68.9935 90.6618 GPRESSURE: 4277800 82.9997 97.7909 73.3791 49.0765 147.394 14.8243 -120.991 47.1639 120.929 PRESSAVG: 4277800 -43.7162 -29.4759 11.5226 -29.4759 29.5425 -9.83178 11.5226 -9.83188 2.63588 GPRESSAVG: 4277800 -43.8631 -29.8106 12.0293 -30.63 29.6934 -9.13406 10.9646 -9.83075 2.39757 TIMING: 4277800 CPU: 12856.3, 0.00297885/step Wall: 12856.3, 0.00297885/step, 0.59759 hours remaining, 207.406250 MB of memory in use. ENERGY: 4277800 731.9072 2074.6770 1954.8921 113.2277 -206584.1291 17919.4300 0.0000 0.0000 34062.8882 -149727.1070 297.4797 -183789.9952 -149637.8525 297.7112 83.9552 117.1075 556434.2877 -3.8459 -3.9240 PRESSURE: 4278000 -299.686 -76.8722 -102.965 -76.8725 -125.886 61.1033 -102.965 61.1034 -18.4503 GPRESSURE: 4278000 -240.81 -74.1117 -250.461 -121.165 -92.903 74.7732 -101.362 71.6321 -17.8974 PRESSAVG: 4278000 -96.6421 -18.7295 -6.84561 -18.7295 8.49379 21.728 -6.84561 21.7279 51.5988 GPRESSAVG: 4278000 -95.401 -19.1478 -8.77261 -17.0555 7.46808 20.057 -6.48506 24.5854 51.0397 TIMING: 4278000 CPU: 12856.9, 0.00302387/step Wall: 12856.9, 0.00302387/step, 0.606455 hours remaining, 207.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4278000 719.5261 2002.9085 1951.7163 96.5008 -206232.7336 17613.2778 0.0000 0.0000 34236.8307 -149611.9733 298.9988 -183848.8040 -149509.3612 297.6553 -148.0076 -117.2035 556792.3724 -12.1832 -12.2977 PRESSURE: 4278200 54.2477 108.538 137.083 108.538 168.17 -86.0474 137.085 -86.0477 -38.924 GPRESSURE: 4278200 33.9152 82.6155 196.737 61.951 218.457 39.7741 56.5282 -153.686 25.5097 PRESSAVG: 4278200 -1.62667 -14.0705 12.9298 -14.0705 52.0012 11.333 12.9297 11.333 -30.5001 GPRESSAVG: 4278200 -2.51113 -12.9449 13.3432 -15.8078 51.415 13.8761 10.5252 8.79957 -28.9205 TIMING: 4278200 CPU: 12857.5, 0.00299563/step Wall: 12857.5, 0.00299563/step, 0.600623 hours remaining, 207.406250 MB of memory in use. ENERGY: 4278200 743.1213 2047.4172 1933.5782 125.1120 -206606.1049 17851.4184 0.0000 0.0000 34190.2512 -149715.2068 298.5920 -183905.4579 -149622.9221 298.6154 61.1647 92.6273 555840.6755 6.6248 6.6611 PRESSURE: 4278400 280.366 -27.9744 -237.927 -27.9755 275.272 -216.404 -237.926 -216.404 31.8994 GPRESSURE: 4278400 329.811 -24.7347 -212.053 2.38434 285.197 -258.864 -218.337 -169.728 62.6777 PRESSAVG: 4278400 29.2692 -41.6149 -13.5805 -41.6149 92.3537 -4.91501 -13.5805 -4.91489 -76.9602 GPRESSAVG: 4278400 29.3473 -39.6479 -12.3774 -42.0357 93.2963 -4.52212 -13.3437 -4.53703 -77.7008 TIMING: 4278400 CPU: 12858.1, 0.00300477/step Wall: 12858.1, 0.00300477/step, 0.602289 hours remaining, 207.406250 MB of memory in use. ENERGY: 4278400 692.6927 2033.7123 1957.5977 106.7933 -207068.6276 18208.6640 0.0000 0.0000 34261.7073 -149807.4601 299.2160 -184069.1675 -149713.0202 298.2624 195.8457 225.8951 556588.1061 14.8876 14.9809 PRESSURE: 4278600 -145.713 183.521 -232.728 183.522 -140.966 168.348 -232.729 168.347 -66.6613 GPRESSURE: 4278600 -126.13 236.877 -217.922 147.112 -67.0941 124.638 -253.912 211.611 -78.499 PRESSAVG: 4278600 16.947 24.062 -56.5925 24.0621 18.7953 18.9462 -56.5926 18.946 -85.2946 GPRESSAVG: 4278600 16.3415 23.1954 -56.2802 24.3731 19.1342 18.2031 -56.0264 18.6298 -84.7629 TIMING: 4278600 CPU: 12858.7, 0.00299564/step Wall: 12858.7, 0.00299564/step, 0.600292 hours remaining, 207.406250 MB of memory in use. ENERGY: 4278600 724.1020 2099.4525 1941.1848 112.9082 -206565.7491 17806.2577 0.0000 0.0000 34118.9156 -149762.9282 297.9690 -183881.8438 -149676.5267 298.0748 -117.7799 -90.5745 558167.0352 -16.5174 -16.4291 PRESSURE: 4278800 -268.82 47.0326 10.7205 47.0328 -197.964 -17.4038 10.7205 -17.403 -49.791 GPRESSURE: 4278800 -246.047 71.4614 5.5043 65.417 -119.658 -0.660714 -6.79629 69.6782 -59.5992 PRESSAVG: 4278800 -27.4273 -6.12509 -24.8873 -6.12511 -18.2017 69.6974 -24.8873 69.6973 -18.1073 GPRESSAVG: 4278800 -25.6937 -7.38824 -24.1719 -4.59722 -18.8153 69.5766 -24.7653 71.9826 -18.3603 TIMING: 4278800 CPU: 12859.3, 0.0030051/step Wall: 12859.3, 0.0030051/step, 0.602021 hours remaining, 207.406250 MB of memory in use. ENERGY: 4278800 741.7785 2086.1881 1920.0941 115.4794 -206143.6311 17489.9548 0.0000 0.0000 34115.7305 -149674.4056 297.9412 -183790.1361 -149580.3608 297.9476 -172.1916 -141.7680 556140.3188 -21.2454 -20.9564 PRESSURE: 4279000 101.46 37.6846 19.9787 37.6861 -26.2709 16.1985 19.9779 16.1979 -288.729 GPRESSURE: 4279000 187.245 69.0863 87.6409 -7.6352 -46.2527 42.6812 -72.1962 -9.62559 -261.389 PRESSAVG: 4279000 14.2755 49.6445 -35.7906 49.6445 -40.7737 35.1985 -35.7906 35.1984 -6.06314 GPRESSAVG: 4279000 12.8823 51.6936 -36.6199 46.7348 -39.4371 34.303 -36.6763 34.3904 -6.88274 TIMING: 4279000 CPU: 12859.9, 0.00300307/step Wall: 12859.9, 0.00300307/step, 0.601449 hours remaining, 207.406250 MB of memory in use. ENERGY: 4279000 721.0859 2057.0903 1948.7681 113.7447 -206464.8985 17640.3275 0.0000 0.0000 34287.5490 -149696.3330 299.4417 -183983.8820 -149597.5382 297.7889 -71.1799 -40.1321 556568.2907 -10.8538 -11.1458 PRESSURE: 4279200 230.102 -24.6965 -72.6832 -24.6971 -82.3828 3.95325 -72.6826 3.95271 -53.4307 GPRESSURE: 4279200 210.562 8.14975 -62.2118 -97.9773 -48.7288 -29.2594 -42.0088 -38.4389 21.2006 PRESSAVG: 4279200 36.2439 29.3826 -54.9607 29.3826 50.948 23.466 -54.9607 23.466 -57.109 GPRESSAVG: 4279200 35.9206 27.5741 -56.5782 31.6953 49.6522 24.7229 -54.2256 22.6448 -55.6693 TIMING: 4279200 CPU: 12860.5, 0.00299416/step Wall: 12860.5, 0.00299416/step, 0.599496 hours remaining, 207.406250 MB of memory in use. ENERGY: 4279200 749.8181 2043.4342 1923.4410 109.4487 -206589.8545 17906.7321 0.0000 0.0000 33986.2580 -149870.7224 296.8104 -183856.9804 -149783.1687 297.1524 31.4296 61.0113 558124.4149 10.0276 9.9678 PRESSURE: 4279400 -186.569 -111.164 -75.043 -111.164 -255.672 188.186 -75.042 188.188 -22.7284 GPRESSURE: 4279400 -168.167 -85.4362 -104.316 -52.8949 -211.537 132.932 -67.6819 200.303 23.3943 PRESSAVG: 4279400 1.32189 -46.9257 -13.1259 -46.9256 -39.8122 -3.21508 -13.1259 -3.21508 -38.1959 GPRESSAVG: 4279400 1.85761 -46.6442 -11.6417 -46.4347 -39.6848 -4.29627 -12.6322 -3.73856 -39.3196 TIMING: 4279400 CPU: 12861.1, 0.00299466/step Wall: 12861.1, 0.00299466/step, 0.599432 hours remaining, 207.406250 MB of memory in use. ENERGY: 4279400 732.2002 2055.3708 1926.8946 99.6281 -206496.8910 17824.2372 0.0000 0.0000 34111.0877 -149747.4724 297.9006 -183858.5601 -149655.2920 297.9145 -154.9899 -118.7698 558463.1680 -25.5620 -25.7156 PRESSURE: 4279600 -140.979 -65.4166 -72.7146 -65.4163 9.17027 -4.47373 -72.7149 -4.47168 185.006 GPRESSURE: 4279600 -89.6971 -25.2724 -149.763 -117.479 12.5539 -8.97547 -25.6164 113.574 222.665 PRESSAVG: 4279600 -26.3438 -60.4865 -23.1819 -60.4864 19.0962 54.9442 -23.1819 54.9442 3.89988 GPRESSAVG: 4279600 -26.5096 -60.1648 -23.4401 -62.4852 18.436 54.6102 -21.7923 54.2926 4.41465 TIMING: 4279600 CPU: 12861.7, 0.00297261/step Wall: 12861.7, 0.00297261/step, 0.594853 hours remaining, 207.406250 MB of memory in use. ENERGY: 4279600 725.8907 2094.0626 1950.0528 103.7450 -206593.4999 18023.5944 0.0000 0.0000 34161.0335 -149535.1208 298.3368 -183696.1543 -149435.5409 298.5782 17.7323 48.5071 557731.3617 -1.1159 -1.2197 PRESSURE: 4279800 -178.365 -175.566 -48.8575 -175.564 -133.767 -116.966 -48.8575 -116.966 -137.37 GPRESSURE: 4279800 -177.209 -183.994 34.4379 -203.235 -83.8469 -130.09 -57.8467 -117.691 -100.93 PRESSAVG: 4279800 -80.2939 10.6087 -41.7486 10.6088 44.4196 -14.2887 -41.7486 -14.2886 15.6234 GPRESSAVG: 4279800 -80.2762 8.69656 -41.6996 13.5655 45.8918 -15.4025 -43.5064 -12.8372 14.2329 TIMING: 4279800 CPU: 12862.3, 0.00298049/step Wall: 12862.3, 0.00298049/step, 0.596263 hours remaining, 207.406250 MB of memory in use. ENERGY: 4279800 705.2225 2056.3488 1938.9691 119.8175 -205914.1110 17587.2941 0.0000 0.0000 33971.7153 -149534.7436 296.6834 -183506.4589 -149440.5728 298.2189 -149.8340 -120.6619 556910.9283 -6.7503 -6.7172 PRESSURE: 4280000 225.788 127.63 256.186 127.63 6.10888 103.286 256.186 103.286 74.3012 GPRESSURE: 4280000 258.621 57.1801 235.718 148.974 42.8085 77.9569 228.976 135.973 112.633 PRESSAVG: 4280000 -38.1338 -31.3942 30.0527 -31.3941 19.4528 6.05737 30.0527 6.05722 25.5003 GPRESSAVG: 4280000 -38.4203 -31.47 29.4119 -31.1828 18.8143 6.09065 30.9218 7.37783 26.5515 TIMING: 4280000 CPU: 12862.9, 0.0030169/step Wall: 12862.9, 0.0030169/step, 0.60338 hours remaining, 207.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4280000 734.2992 2062.4128 1953.9378 106.1653 -206684.4444 18092.8004 0.0000 0.0000 34267.5815 -149467.2474 299.2673 -183734.8289 -149368.8767 299.0026 102.0659 138.0210 557943.2532 2.2731 2.3152 PRESSURE: 4280200 -83.4337 -39.9078 147.934 -39.9081 147.928 185.803 147.935 185.802 69.7187 GPRESSURE: 4280200 -16.3491 -59.2432 137.642 9.0308 160.585 261.945 90.9221 86.3555 80.99 PRESSAVG: 4280200 29.1542 -33.6078 -14.9343 -33.6078 -7.31258 48.0165 -14.9343 48.0166 7.20674 GPRESSAVG: 4280200 29.727 -31.4965 -13.9275 -35.2395 -6.82904 48.5085 -16.8489 46.4639 6.33195 TIMING: 4280200 CPU: 12863.5, 0.00299551/step Wall: 12863.5, 0.00299551/step, 0.598936 hours remaining, 207.406250 MB of memory in use. ENERGY: 4280200 750.2464 2091.9197 1917.4188 108.1121 -206569.6726 17952.5684 0.0000 0.0000 34267.1301 -149482.2770 299.2634 -183749.4071 -149384.0632 298.8751 44.7377 75.0753 556422.9186 9.6828 9.7433 LDB: ============= START OF LOAD BALANCING ============== 12867 LDB: ============== END OF LOAD BALANCING =============== 12867 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12867 LDB: ============= START OF LOAD BALANCING ============== 12867.3 LDB: Largest compute 4802 load 0.028665 is 24.3% of average load 0.118084 LDB: Average compute 0.001725 is 1.5% of average load 0.118084 LDB: TIME 12867.3 LOAD: AVG 0.118084 MAX 0.210255 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.711 MB LDB: TIME 12867.3 LOAD: AVG 0.118084 MAX 0.210255 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.914 MB LDB: TIME 12867.3 LOAD: AVG 0.118084 MAX 0.210255 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.914 MB LDB: ============== END OF LOAD BALANCING =============== 12867.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12867.3 PRESSURE: 4280400 -56.6994 -131.518 -4.3873 -131.52 -126.789 185.237 -4.38853 185.238 -80.5348 GPRESSURE: 4280400 -7.53791 -119.001 -9.24436 -121.75 -64.558 173.48 -3.25194 164.485 -94.7449 PRESSAVG: 4280400 25.0778 -57.4233 2.01489 -57.4233 33.4422 33.2754 2.01489 33.2754 22.5502 GPRESSAVG: 4280400 25.563 -58.8179 1.66336 -56.0484 33.8958 33.5054 4.23087 32.1077 21.6278 TIMING: 4280400 CPU: 12864.1, 0.00308694/step Wall: 12864.1, 0.00308694/step, 0.617045 hours remaining, 209.457031 MB of memory in use. ENERGY: 4280400 772.8115 2131.0602 1907.4615 104.7946 -206435.5329 17796.3528 0.0000 0.0000 34278.1459 -149444.9063 299.3596 -183723.0522 -149346.3457 298.9817 -88.0076 -55.6136 555728.8021 27.0234 27.0289 PRESSURE: 4280600 -135.383 52.2304 -151.655 52.2297 -40.2726 -20.8667 -151.656 -20.8674 -15.3229 GPRESSURE: 4280600 -99.9001 120.4 -157.543 43.6991 -29.968 5.643 -69.6473 -101.43 38.3368 PRESSAVG: 4280600 13.5553 -31.7788 -35.6743 -31.7788 -4.88443 25.4905 -35.6743 25.4904 -1.7133 GPRESSAVG: 4280600 11.4092 -31.1985 -35.6095 -33.1451 -4.88947 25.8503 -36.4821 25.5171 -0.181751 TIMING: 4280600 CPU: 12864.7, 0.00302051/step Wall: 12864.7, 0.00302051/step, 0.603598 hours remaining, 209.597656 MB of memory in use. ENERGY: 4280600 780.1733 2130.8847 1933.3391 111.1830 -206434.2604 17805.1190 0.0000 0.0000 34352.2540 -149321.3074 300.0068 -183673.5614 -149221.5414 299.1930 -63.6596 -30.5104 557026.6964 2.3192 2.1126 PRESSURE: 4280800 -120.393 46.1473 149.907 46.1471 -75.5202 -26.0729 149.907 -26.0736 73.4388 GPRESSURE: 4280800 -79.0307 75.4021 233.905 29.1691 -19.4251 74.3891 124.072 31.119 75.8199 PRESSAVG: 4280800 45.6324 11.5449 37.743 11.5449 -49.4611 -12.3193 37.743 -12.3193 3.8817 GPRESSAVG: 4280800 46.872 10.2212 37.9362 12.1927 -50.0769 -13.2263 36.5925 -11.2313 2.87916 TIMING: 4280800 CPU: 12865.3, 0.00303398/step Wall: 12865.3, 0.00303398/step, 0.606122 hours remaining, 209.597656 MB of memory in use. ENERGY: 4280800 736.7861 2165.2992 1924.1678 114.1507 -206142.0221 17693.2514 0.0000 0.0000 34292.2336 -149216.1332 299.4826 -183508.3669 -149115.2511 300.3478 -40.8247 -7.5453 556492.0519 0.0177 -0.1086 PRESSURE: 4281000 -284.705 -102.692 -0.654791 -102.691 -156.5 -159.141 -0.656184 -159.14 -37.892 GPRESSURE: 4281000 -327.271 -63.6381 -1.82438 -153.424 -73.289 -131.96 -116.155 -175.626 23.9813 PRESSAVG: 4281000 -12.732 81.7236 63.2285 81.7236 28.5459 18.1691 63.2285 18.1691 -39.4833 GPRESSAVG: 4281000 -14.1621 85.3644 61.515 80.1611 29.1365 17.3148 64.6525 17.9341 -38.885 TIMING: 4281000 CPU: 12865.9, 0.00301826/step Wall: 12865.9, 0.00301826/step, 0.602814 hours remaining, 209.597656 MB of memory in use. ENERGY: 4281000 750.7267 2090.1399 1938.6327 124.2106 -206122.0453 17465.0211 0.0000 0.0000 34469.5808 -149283.7335 301.0314 -183753.3143 -149176.9274 300.2165 -159.6991 -125.5261 556889.7080 -7.8898 -7.9702 PRESSURE: 4281200 -98.3487 24.4814 -25.2025 24.4801 -1.22228 62.9297 -25.2031 62.9286 -30.3203 GPRESSURE: 4281200 -63.0732 6.32854 -67.1325 45.3523 23.8798 60.7039 4.75482 76.0336 -2.09564 PRESSAVG: 4281200 52.653 -9.5671 39.0788 -9.56722 -86.6465 3.92255 39.0788 3.92257 61.5096 GPRESSAVG: 4281200 54.4288 -10.9258 39.5861 -8.72276 -87.7487 6.1351 38.6233 3.63175 61.5599 TIMING: 4281200 CPU: 12866.5, 0.00298926/step Wall: 12866.5, 0.00298926/step, 0.596855 hours remaining, 209.597656 MB of memory in use. ENERGY: 4281200 769.4477 2078.8190 1952.6618 113.0829 -206246.7623 17746.5980 0.0000 0.0000 34426.0862 -149160.0667 300.6516 -183586.1529 -149066.8412 300.4350 -43.2971 -13.7630 558233.4457 9.1720 9.4133 PRESSURE: 4281400 -22.2779 44.838 -50.9698 44.8377 -223.281 134.073 -50.9684 134.073 30.8339 GPRESSURE: 4281400 18.4034 57.0229 -56.3533 51.0351 -213.189 106.79 4.38045 59.6321 80.8099 PRESSAVG: 4281400 -7.64214 -2.47833 31.1933 -2.47838 -24.3458 30.1819 31.1932 30.182 36.4825 GPRESSAVG: 4281400 -7.4611 -2.9974 31.8893 -3.46851 -23.616 27.5071 29.5016 31.897 35.9391 TIMING: 4281400 CPU: 12867.1, 0.00297804/step Wall: 12867.1, 0.00297804/step, 0.594449 hours remaining, 209.597656 MB of memory in use. ENERGY: 4281400 725.9608 2103.0391 1958.8673 115.0708 -206190.3843 17860.4327 0.0000 0.0000 34103.4244 -149323.5891 297.8337 -183427.0135 -149228.1752 299.4823 -71.5749 -37.9920 559959.5781 1.4982 1.6207 PRESSURE: 4281600 -191.913 -157.122 94.4571 -157.123 -217.881 -34.5754 94.4561 -34.5766 -172.016 GPRESSURE: 4281600 -193.619 -187.12 19.9037 2.22949 -174.07 -34.7802 92.3188 -43.8695 -126.652 PRESSAVG: 4281600 -43.6761 7.08514 -41.5588 7.08516 -46.7264 -32.9949 -41.5588 -32.995 86.7186 GPRESSAVG: 4281600 -44.1648 9.28685 -38.9385 7.73873 -46.2313 -29.9309 -41.4724 -35.4539 86.6913 TIMING: 4281600 CPU: 12867.7, 0.00295424/step Wall: 12867.7, 0.00295424/step, 0.589535 hours remaining, 209.597656 MB of memory in use. ENERGY: 4281600 770.2374 2107.5687 1959.4530 115.6151 -205897.5285 17386.9560 0.0000 0.0000 34244.1108 -149313.5875 299.0623 -183557.6982 -149217.8532 298.8396 -193.9367 -164.7801 558935.6908 -1.2280 -1.2349 PRESSURE: 4281800 -102.543 79.4584 -27.0448 79.4575 -304.497 -151.675 -27.0464 -151.675 -345.18 GPRESSURE: 4281800 -64.5213 153.254 -56.2316 26.2514 -258.283 -145.787 23.8472 -135.342 -326.547 PRESSAVG: 4281800 -28.605 -46.0489 6.30354 -46.0489 -0.0455869 -27.1505 6.30355 -27.1504 9.97368 GPRESSAVG: 4281800 -27.2942 -45.5241 6.0219 -45.5362 0.105587 -29.5946 7.08705 -26.2357 8.81304 TIMING: 4281800 CPU: 12868.3, 0.00297171/step Wall: 12868.3, 0.00297171/step, 0.592856 hours remaining, 209.597656 MB of memory in use. ENERGY: 4281800 762.7851 2073.2395 1959.6331 117.8908 -206041.0558 17546.6713 0.0000 0.0000 34274.8732 -149305.9627 299.3310 -183580.8359 -149202.0013 299.0654 -250.7399 -216.4504 559227.2174 -6.2256 -6.1252 PRESSURE: 4282000 35.3256 19.6876 -117.799 19.6871 85.9683 -17.9073 -117.799 -17.9072 63.6 GPRESSURE: 4282000 63.3142 -58.1996 -113.851 -2.96298 106.047 -51.1251 -81.204 26.2652 110.627 PRESSAVG: 4282000 81.2459 17.1672 -18.7157 17.1674 -73.3374 -30.7829 -18.7157 -30.7829 10.5379 GPRESSAVG: 4282000 79.8887 15.1995 -20.7205 17.0056 -73.721 -32.2226 -16.3236 -29.6441 12.5311 TIMING: 4282000 CPU: 12868.9, 0.00297937/step Wall: 12868.9, 0.00297937/step, 0.594218 hours remaining, 209.597656 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: 4282000 752.5241 2082.4819 1943.0118 123.2430 -206491.0423 18054.9668 0.0000 0.0000 34167.6874 -149367.1274 298.3949 -183534.8148 -149263.5379 299.0632 61.6313 93.3294 558308.4922 6.1488 6.2329 PRESSURE: 4282200 27.6259 -12.3743 77.3803 -12.3737 125.548 -45.2617 77.3789 -45.2628 103.904 GPRESSURE: 4282200 24.5861 19.5357 0.623572 -116.285 148.911 -70.0652 119.53 -2.55164 170.208 PRESSAVG: 4282200 33.8805 9.1882 2.21651 9.18831 -21.1576 -20.9357 2.2165 -20.9357 -38.7434 GPRESSAVG: 4282200 35.5202 8.00018 2.45336 10.0114 -21.7675 -18.7973 -0.396339 -21.7645 -39.2436 TIMING: 4282200 CPU: 12869.5, 0.00298129/step Wall: 12869.5, 0.00298129/step, 0.594435 hours remaining, 209.597656 MB of memory in use. ENERGY: 4282200 685.1501 2131.8226 1972.9464 113.5108 -206570.8255 18017.3032 0.0000 0.0000 34161.9853 -149488.1071 298.3451 -183650.0924 -149386.4566 298.5894 85.6926 114.5684 558039.6877 -8.6735 -8.4970 PRESSURE: 4282400 90.8352 -42.7327 122.048 -42.7324 -189.099 8.76406 122.048 8.76362 78.3002 GPRESSURE: 4282400 189.875 5.08579 75.6894 -35.2736 -198.502 19.8872 89.4322 10.7684 83.397 PRESSAVG: 4282400 26.2135 -16.1121 19.1806 -16.1122 -31.2513 -67.0276 19.1806 -67.0277 -14.5549 GPRESSAVG: 4282400 25.2563 -13.8778 18.0454 -16.7843 -31.0368 -65.9304 18.9707 -68.7494 -14.1371 TIMING: 4282400 CPU: 12870.1, 0.00298157/step Wall: 12870.1, 0.00298157/step, 0.594326 hours remaining, 209.597656 MB of memory in use. ENERGY: 4282400 744.5161 2157.9720 1952.4789 112.5824 -206766.4906 17933.7048 0.0000 0.0000 34379.8746 -149485.3618 300.2480 -183865.2364 -149389.6866 298.4649 -6.6545 24.9233 559014.2885 -6.5309 -6.6392 PRESSURE: 4282600 -30.8675 91.4658 121.795 91.4657 103.929 -48.7552 121.795 -48.7564 -182.419 GPRESSURE: 4282600 -22.15 105.96 156.317 142.56 112.828 -80.2976 112.419 -77.9326 -97.1059 PRESSAVG: 4282600 29.6586 -16.973 -40.8922 -16.9731 -18.3389 -60.2348 -40.8921 -60.2347 2.89671 GPRESSAVG: 4282600 28.7699 -19.4134 -38.166 -16.633 -16.8412 -62.5342 -42.6524 -58.5816 2.43502 TIMING: 4282600 CPU: 12870.7, 0.00297127/step Wall: 12870.7, 0.00297127/step, 0.592108 hours remaining, 209.597656 MB of memory in use. ENERGY: 4282600 718.8491 2092.4491 1961.5471 108.6913 -206326.1938 17898.5375 0.0000 0.0000 34154.8948 -149391.2249 298.2832 -183546.1197 -149295.1672 299.0864 -36.4523 -2.1426 559325.8514 4.7388 4.7879 PRESSURE: 4282800 -69.5126 -103.383 -281.229 -103.384 -273.177 93.3034 -281.228 93.3018 -323.488 GPRESSURE: 4282800 -96.3989 -169.274 -255.169 -120.593 -245.208 153.209 -256.012 86.0296 -242.095 PRESSAVG: 4282800 7.52393 -48.9042 4.60149 -48.9042 3.00293 10.1935 4.60147 10.1935 -10.3794 GPRESSAVG: 4282800 7.49587 -46.3649 3.27539 -48.0157 3.38192 10.9282 5.06838 8.61448 -10.3192 TIMING: 4282800 CPU: 12871.2, 0.00296913/step Wall: 12871.2, 0.00296913/step, 0.591518 hours remaining, 209.597656 MB of memory in use. ENERGY: 4282800 755.0910 2102.9641 1931.6804 117.3473 -205851.3434 17321.5512 0.0000 0.0000 34119.0749 -149503.6345 297.9704 -183622.7094 -149407.7640 298.2530 -222.0591 -194.5671 557544.9555 0.0491 0.1862 PRESSURE: 4283000 -205.668 -95.8571 108.987 -95.8562 78.5748 131.244 108.986 131.243 -113.309 GPRESSURE: 4283000 -116.118 -176.819 74.4927 0.875932 48.8033 133.227 138.2 111.718 -62.491 PRESSAVG: 4283000 10.5809 -9.98069 -67.3569 -9.98062 3.08564 61.4714 -67.357 61.4714 -37.1239 GPRESSAVG: 4283000 11.8283 -10.4275 -67.0747 -10.9534 2.37731 62.175 -66.0499 64.788 -37.3922 TIMING: 4283000 CPU: 12871.8, 0.00296821/step Wall: 12871.8, 0.00296821/step, 0.591169 hours remaining, 209.597656 MB of memory in use. ENERGY: 4283000 765.9993 2065.5734 1981.4404 112.3622 -206584.8020 17895.5312 0.0000 0.0000 34224.7137 -149539.1818 298.8929 -183763.8955 -149445.2226 298.1853 -80.1343 -43.2685 556607.7370 -7.8191 -7.7289 PRESSURE: 4283200 26.2547 -90.7871 208.494 -90.7872 -44.151 -149.817 208.492 -149.818 45.5753 GPRESSURE: 4283200 80.3748 -79.1131 191.444 -43.5576 3.40299 -231.745 189.215 -105.594 33.7592 PRESSAVG: 4283200 -21.7866 -27.9438 -14.3241 -27.9438 45.158 -11.5044 -14.324 -11.5044 -37.444 GPRESSAVG: 4283200 -22.0141 -26.4342 -13.2983 -29.7116 44.876 -11.1716 -13.2523 -12.6774 -37.1302 TIMING: 4283200 CPU: 12872.4, 0.00294858/step Wall: 12872.4, 0.00294858/step, 0.587094 hours remaining, 209.597656 MB of memory in use. ENERGY: 4283200 732.6541 2111.1472 1955.6009 116.5771 -206458.3154 17928.7437 0.0000 0.0000 34254.8402 -149358.7522 299.1560 -183613.5924 -149257.5745 299.2635 9.2263 39.1790 557260.1734 -4.6908 -4.7561 PRESSURE: 4283400 -263.888 -46.2814 -27.0376 -46.2804 -5.1038 -41.987 -27.0372 -41.9865 -305.634 GPRESSURE: 4283400 -184.222 52.6593 -26.5556 -87.5077 -1.35219 -6.31868 -41.0927 -85.1908 -304.063 PRESSAVG: 4283400 -5.07393 -17.2018 -7.02578 -17.2017 -9.26317 -14.2408 -7.02583 -14.2409 -31.8107 GPRESSAVG: 4283400 -4.7562 -18.9246 -8.53136 -15.9147 -10.7204 -14.3855 -7.2635 -13.47 -31.4523 TIMING: 4283400 CPU: 12873, 0.0029581/step Wall: 12873, 0.0029581/step, 0.588827 hours remaining, 209.597656 MB of memory in use. ENERGY: 4283400 749.1764 2135.2925 1961.0856 108.8872 -206042.7530 17520.4091 0.0000 0.0000 34062.5496 -149505.3526 297.4767 -183567.9022 -149415.5501 298.9280 -191.5420 -163.2123 558419.7602 -15.3826 -15.6430 PRESSURE: 4283600 120.715 105.145 -97.6623 105.146 7.64563 -12.9484 -97.6627 -12.9478 -4.76484 GPRESSURE: 4283600 190.567 130.394 -17.6246 96.8273 -3.58501 5.81363 -90.2034 64.9419 39.0892 PRESSAVG: 4283600 27.1705 38.9262 -42.6459 38.9262 -23.5316 27.9417 -42.6458 27.9417 17.6225 GPRESSAVG: 4283600 26.7277 37.6199 -42.5709 37.8282 -22.8291 28.2362 -42.2892 25.4582 17.5323 TIMING: 4283600 CPU: 12873.6, 0.00299546/step Wall: 12873.6, 0.00299546/step, 0.596097 hours remaining, 209.597656 MB of memory in use. ENERGY: 4283600 748.7741 2082.5542 1937.0180 127.0933 -206321.6904 18003.9126 0.0000 0.0000 34065.9234 -149356.4148 297.5062 -183422.3383 -149263.9278 298.3429 41.1986 75.3571 557089.6934 7.0871 7.1436 PRESSURE: 4283800 -217.944 22.2446 42.919 22.2441 -45.4138 -275.292 42.9189 -275.293 -122.746 GPRESSURE: 4283800 -140.662 12.4999 -26.678 -11.7997 -4.16076 -206.617 30.1629 -291.474 -137.767 PRESSAVG: 4283800 25.0901 4.53909 2.51367 4.53899 -16.7622 9.90499 2.51375 9.9049 -51.0714 GPRESSAVG: 4283800 24.3222 6.11478 3.90238 5.73051 -16.4274 10.883 1.13894 11.6032 -50.6822 TIMING: 4283800 CPU: 12874.2, 0.00299848/step Wall: 12874.2, 0.00299848/step, 0.596531 hours remaining, 209.597656 MB of memory in use. ENERGY: 4283800 777.3325 2087.8316 1944.6495 102.3335 -205997.7818 17629.4635 0.0000 0.0000 34078.8449 -149377.3262 297.6190 -183456.1712 -149281.3874 298.5870 -128.7013 -94.1966 557881.7470 -14.2479 -14.2625 PRESSURE: 4284000 8.32675 98.7631 23.6363 98.7645 22.4893 -62.8586 23.6356 -62.8588 -132.969 GPRESSURE: 4284000 15.1416 167.183 52.6368 47.0149 45.5958 -32.9344 75.3989 -66.4751 -78.6528 PRESSAVG: 4284000 24.9232 -20.4989 -32.8701 -20.4989 -35.1518 -3.45127 -32.8701 -3.45143 19.1634 GPRESSAVG: 4284000 25.6899 -21.0531 -34.3301 -20.0375 -34.8779 -4.1936 -32.4219 -4.09935 18.3874 TIMING: 4284000 CPU: 12874.8, 0.00299583/step Wall: 12874.8, 0.00299583/step, 0.595837 hours remaining, 209.597656 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: 4284000 770.2628 2050.5734 1966.3590 123.5777 -206103.6368 17709.3185 0.0000 0.0000 34161.6445 -149321.9011 298.3421 -183483.5456 -149230.2255 298.9535 -34.0511 -5.9718 557107.1264 2.9783 3.0665 PRESSURE: 4284200 385.563 181.794 -143.94 181.793 121.418 0.0225683 -143.939 0.0229939 -48.2364 GPRESSURE: 4284200 349.087 122.766 -69.9003 232.093 169.07 -9.00267 -120.264 7.93482 36.4025 PRESSAVG: 4284200 -64.2443 46.7742 -15.0274 46.7743 -12.7201 21.2945 -15.0275 21.2945 26.2146 GPRESSAVG: 4284200 -65.1983 45.8721 -13.7113 46.8378 -11.9828 21.5952 -15.7626 21.2903 26.5504 TIMING: 4284200 CPU: 12875.4, 0.00299029/step Wall: 12875.4, 0.00299029/step, 0.594569 hours remaining, 209.597656 MB of memory in use. ENERGY: 4284200 695.9913 2092.8338 1958.3857 115.3097 -206358.3525 17984.6107 0.0000 0.0000 34178.9138 -149332.3077 298.4930 -183511.2214 -149238.2461 299.1355 152.9150 184.8531 557785.0717 -16.9166 -16.8769 LDB: ============= START OF LOAD BALANCING ============== 12878.9 LDB: ============== END OF LOAD BALANCING =============== 12878.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12878.9 LDB: ============= START OF LOAD BALANCING ============== 12879.2 LDB: Largest compute 4773 load 0.027164 is 23.0% of average load 0.118167 LDB: Average compute 0.001723 is 1.5% of average load 0.118167 LDB: TIME 12879.2 LOAD: AVG 0.118167 MAX 0.208831 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.258 MB LDB: TIME 12879.2 LOAD: AVG 0.118167 MAX 0.208831 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.461 MB LDB: TIME 12879.2 LOAD: AVG 0.118167 MAX 0.208831 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.461 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12879.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12879.2 PRESSURE: 4284400 -96.4841 50.0423 -86.2535 50.0419 -76.9273 -57.2634 -86.2538 -57.2635 -34.3959 GPRESSURE: 4284400 -60.1226 45.6341 -163.625 48.4288 0.770322 -74.1335 -47.8458 -98.1953 -60.5174 PRESSAVG: 4284400 5.10804 85.6679 -15.148 85.6679 -4.33629 6.55567 -15.148 6.55572 28.3233 GPRESSAVG: 4284400 6.14343 84.1412 -17.1207 86.2253 -5.29392 4.47272 -14.6364 8.08675 27.8614 TIMING: 4284400 CPU: 12876, 0.00306084/step Wall: 12876, 0.00306084/step, 0.608427 hours remaining, 210.539062 MB of memory in use. ENERGY: 4284400 742.6739 2062.3678 1957.6297 113.6683 -206113.1102 17573.0026 0.0000 0.0000 34382.7755 -149280.9925 300.2733 -183663.7680 -149193.6022 299.3471 -69.2691 -39.9566 557617.5037 9.6984 9.5703 PRESSURE: 4284600 41.0057 136.465 28.6854 136.465 -135.963 100.912 28.6853 100.91 164.434 GPRESSURE: 4284600 72.2663 79.454 119.237 236.514 -90.8855 201.483 -24.0165 10.8191 181.6 PRESSAVG: 4284600 49.7729 77.3779 -36.616 77.3779 -34.9444 0.390152 -36.616 0.390195 -4.67438 GPRESSAVG: 4284600 49.422 77.6369 -34.4375 78.7342 -35.0138 3.19936 -36.3813 -1.91929 -4.53869 TIMING: 4284600 CPU: 12876.6, 0.00300424/step Wall: 12876.6, 0.00300424/step, 0.597009 hours remaining, 211.039062 MB of memory in use. ENERGY: 4284600 772.5548 2034.9747 1954.3755 95.6009 -206583.3974 17925.9094 0.0000 0.0000 34413.7041 -149386.2780 300.5434 -183799.9821 -149290.4020 299.6335 23.1588 54.3269 557044.3902 3.3847 3.2898 PRESSURE: 4284800 40.2327 -186.327 205.218 -186.327 236.805 -0.700188 205.219 -0.700767 277.223 GPRESSURE: 4284800 85.343 -226.989 250.932 -211.128 228.347 -54.3402 203.361 -21.4342 328.318 PRESSAVG: 4284800 71.1858 14.2915 22.7524 14.2914 -8.9933 66.6633 22.7523 66.6633 -42.0459 GPRESSAVG: 4284800 71.0348 13.7371 21.3052 13.2402 -8.89112 64.4414 23.0502 69.8994 -41.9695 TIMING: 4284800 CPU: 12877.2, 0.00298164/step Wall: 12877.2, 0.00298164/step, 0.592353 hours remaining, 211.039062 MB of memory in use. ENERGY: 4284800 721.3093 2109.1160 1951.5111 109.2419 -206595.4031 18048.3225 0.0000 0.0000 34192.1090 -149463.7932 298.6082 -183655.9023 -149371.9214 298.5674 184.7537 214.0025 557500.2793 6.7156 6.7247 PRESSURE: 4285000 -2.50096 83.6329 -13.8697 83.6325 -177.297 -121.728 -13.869 -121.729 57.7045 GPRESSURE: 4285000 29.4883 111.171 -40.5759 148.162 -123.931 -106.764 14.0205 -99.9702 65.603 PRESSAVG: 4285000 30.2608 24.0894 28.792 24.0893 -23.6331 -43.2327 28.7921 -43.2327 39.0591 GPRESSAVG: 4285000 31.6641 27.6981 27.6462 23.0209 -24.6649 -41.548 28.4713 -45.168 38.7304 TIMING: 4285000 CPU: 12877.8, 0.00297632/step Wall: 12877.8, 0.00297632/step, 0.59113 hours remaining, 211.039062 MB of memory in use. ENERGY: 4285000 713.4980 2078.9730 1958.0645 116.5083 -205905.6092 17500.5893 0.0000 0.0000 34261.4883 -149276.4878 299.2141 -183537.9761 -149172.1153 298.8523 -40.6980 -9.6132 556690.7401 15.2289 15.2432 PRESSURE: 4285200 -54.0163 -162.089 -5.08148 -162.089 -316.013 -79.3989 -5.08014 -79.3971 -411.649 GPRESSURE: 4285200 -54.1125 -113.038 46.2434 -128.879 -227.176 -34.7759 -57.9612 -102.942 -400.451 PRESSAVG: 4285200 11.8775 -20.8693 -3.55577 -20.8694 25.913 -36.7099 -3.5558 -36.7099 -39.7089 GPRESSAVG: 4285200 11.0907 -23.8761 -1.90753 -18.5639 27.7472 -36.683 -4.34859 -35.3181 -40.2582 TIMING: 4285200 CPU: 12878.4, 0.00300281/step Wall: 12878.4, 0.00300281/step, 0.596225 hours remaining, 211.039062 MB of memory in use. ENERGY: 4285200 725.4484 2098.7203 1945.3949 135.1168 -205512.5837 17262.7896 0.0000 0.0000 34168.9417 -149176.1719 298.4059 -183345.1136 -149078.4370 299.4847 -260.5595 -227.2464 558541.3734 -0.6395 -0.4734 PRESSURE: 4285400 182.042 52.6744 80.2368 52.6742 153.884 105.472 80.237 105.47 140.154 GPRESSURE: 4285400 228.567 39.1387 103.115 75.9439 136.743 168.147 -40.0332 158.778 211.797 PRESSAVG: 4285400 -10.526 0.966275 -15.1925 0.966295 -11.6448 -42.6126 -15.1925 -42.6126 7.39176 GPRESSAVG: 4285400 -11.383 2.01185 -16.3955 -1.3235 -12.2857 -43.9454 -14.7739 -41.8178 7.94981 TIMING: 4285400 CPU: 12879, 0.00301007/step Wall: 12879, 0.00301007/step, 0.597499 hours remaining, 211.039062 MB of memory in use. ENERGY: 4285400 747.4967 2035.5118 1943.0030 99.3317 -206357.7858 18135.1288 0.0000 0.0000 34136.6300 -149260.6837 298.1237 -183397.3137 -149163.4515 299.5189 158.6934 192.3688 558699.7424 -4.9263 -5.2396 PRESSURE: 4285600 -357.753 147.882 177.551 147.882 -238.295 47.2048 177.551 47.2039 -108.646 GPRESSURE: 4285600 -298.8 199.589 165.647 91.3583 -183.046 95.1827 162.006 12.5575 -125.214 PRESSAVG: 4285600 -30.6129 -19.8445 19.3008 -19.8445 51.9389 2.75437 19.3009 2.75434 22.1521 GPRESSAVG: 4285600 -30.9023 -20.2861 18.7017 -18.6765 52.3777 2.66896 19.8431 0.847223 22.2015 TIMING: 4285600 CPU: 12879.6, 0.00296772/step Wall: 12879.6, 0.00296772/step, 0.588928 hours remaining, 211.039062 MB of memory in use. ENERGY: 4285600 747.3083 2087.3335 1943.6722 110.3667 -205845.1275 17501.0801 0.0000 0.0000 34056.1986 -149399.1681 297.4213 -183455.3667 -149313.6399 299.3224 -234.8980 -202.3533 557391.2297 14.4927 14.5590 PRESSURE: 4285800 -36.1224 131.592 -64.6359 131.592 -198.729 -23.5431 -64.6366 -23.5421 70.5924 GPRESSURE: 4285800 -25.7797 143.864 -22.8335 135.888 -128.131 -1.83676 -15.6397 -6.83741 73.4146 PRESSAVG: 4285800 -59.925 51.9428 22.1678 51.9427 33.122 36.0153 22.1679 36.0154 68.5241 GPRESSAVG: 4285800 -59.132 52.4281 23.1199 51.8052 33.0841 36.7781 20.7124 37.3935 67.6906 TIMING: 4285800 CPU: 12880.2, 0.00298155/step Wall: 12880.2, 0.00298155/step, 0.591507 hours remaining, 211.039062 MB of memory in use. ENERGY: 4285800 768.2373 2099.5798 1928.8958 108.6539 -206074.3291 17741.9896 0.0000 0.0000 34149.7064 -149277.2664 298.2379 -183426.9728 -149183.5401 299.2346 -54.7530 -26.8321 556969.6651 13.9071 13.8809 PRESSURE: 4286000 432.688 -35.3095 85.3144 -35.3093 236.585 -54.7248 85.3134 -54.7237 102.201 GPRESSURE: 4286000 431.862 -53.7458 129.375 25.9137 243.062 -82.6417 31.5587 -29.3214 188.838 PRESSAVG: 4286000 16.4521 6.92102 -22.845 6.92105 14.1577 31.7756 -22.845 31.7755 -22.3311 GPRESSAVG: 4286000 15.0447 7.71231 -23.6247 5.75079 13.5097 31.355 -21.1625 33.7749 -20.0983 TIMING: 4286000 CPU: 12880.8, 0.00300985/step Wall: 12880.8, 0.00300985/step, 0.596954 hours remaining, 211.039062 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: 4286000 758.0517 2034.3475 1960.5594 116.5624 -206710.4161 18136.0004 0.0000 0.0000 34425.7741 -149279.1206 300.6488 -183704.8947 -149183.7529 300.0583 257.1582 287.9209 556364.6177 2.7596 2.8187 PRESSURE: 4286200 -103.371 -34.2299 61.3743 -34.2303 25.6096 19.2599 61.3766 19.2617 321.935 GPRESSURE: 4286200 -44.726 43.0435 27.0335 -96.4713 110.219 13.4475 58.1142 50.3098 279.647 PRESSAVG: 4286200 -1.38487 15.3724 -58.8856 15.3724 -10.8715 -12.2635 -58.8856 -12.2635 -9.52878 GPRESSAVG: 4286200 0.433645 13.8677 -58.7814 17.104 -12.5998 -13.1382 -60.7527 -12.875 -9.3948 TIMING: 4286200 CPU: 12881.4, 0.00300754/step Wall: 12881.4, 0.00300754/step, 0.596329 hours remaining, 211.039062 MB of memory in use. ENERGY: 4286200 770.6474 2166.7488 1927.6251 109.7065 -206587.0829 18032.5932 0.0000 0.0000 34373.4312 -149206.3307 300.1917 -183579.7619 -149111.4224 299.4425 81.3910 115.0467 556754.3306 -7.2617 -7.1870 PRESSURE: 4286400 -366.39 -92.3797 23.9549 -92.3803 14.643 107.586 23.9541 107.587 -501.147 GPRESSURE: 4286400 -336.64 -31.7269 79.574 -127.669 5.68464 98.2843 87.789 123.214 -429.87 PRESSAVG: 4286400 -32.7263 18.4657 13.6712 18.4656 21.8097 5.87227 13.6712 5.87223 24.6617 GPRESSAVG: 4286400 -33.0719 20.9463 13.7895 17.8067 23.4042 6.9584 15.3424 4.88615 23.2299 TIMING: 4286400 CPU: 12882, 0.00303802/step Wall: 12882, 0.00303802/step, 0.602203 hours remaining, 211.039062 MB of memory in use. ENERGY: 4286400 757.2686 2090.1851 1946.7614 107.7738 -206270.0898 17576.2066 0.0000 0.0000 34240.8563 -149551.0381 299.0339 -183791.8944 -149452.4534 298.8954 -284.2982 -253.6085 556413.6400 4.5817 4.5207 PRESSURE: 4286600 -137.588 -50.1078 -1.35481 -50.107 -100.308 130.61 -1.35435 130.61 84.759 GPRESSURE: 4286600 -66.9726 -56.8938 -81.0205 3.66558 -55.6022 86.78 103.902 160.402 76.4816 PRESSAVG: 4286600 -26.2079 65.6333 26.4901 65.6333 44.5924 47.512 26.49 47.512 -30.7907 GPRESSAVG: 4286600 -27.1187 64.4444 25.9651 66.9708 45.0879 47.4002 26.131 47.9842 -30.9795 TIMING: 4286600 CPU: 12882.6, 0.00301711/step Wall: 12882.6, 0.00301711/step, 0.59789 hours remaining, 211.039062 MB of memory in use. ENERGY: 4286600 770.0773 2096.4233 1904.2219 112.4506 -206278.5434 17720.6081 0.0000 0.0000 34154.6319 -149520.1303 298.2809 -183674.7622 -149423.0914 298.3081 -51.0458 -15.3644 556212.4963 -4.1354 -4.3368 PRESSURE: 4286800 -162.76 -41.5071 -30.6286 -41.507 -74.6857 -51.7363 -30.6284 -51.7378 140.215 GPRESSURE: 4286800 -124.44 -50.2929 -14.6021 51.4415 -39.0308 -60.6167 -22.9502 -89.0551 169.155 PRESSAVG: 4286800 -21.8324 15.2605 -22.7727 15.2605 -65.8986 17.5532 -22.7727 17.5533 54.8157 GPRESSAVG: 4286800 -20.744 15.8749 -24.0838 12.6595 -66.2302 20.2427 -22.4695 15.7896 54.2768 TIMING: 4286800 CPU: 12883.2, 0.00296629/step Wall: 12883.2, 0.00296629/step, 0.587656 hours remaining, 211.109375 MB of memory in use. ENERGY: 4286800 708.8486 2087.1403 1950.9497 112.9508 -206539.0521 17835.4939 0.0000 0.0000 34271.2367 -149572.4321 299.2992 -183843.6688 -149476.1452 298.1436 -32.4103 1.8948 556642.9689 -10.9717 -10.8991 PRESSURE: 4287000 -81.9261 -6.97847 -244.93 -6.97789 -8.96686 -21.155 -244.928 -21.1551 -65.8432 GPRESSURE: 4287000 -83.7229 86.132 -224.449 -61.7664 58.4789 -13.5109 -227.285 3.32146 -35.8285 PRESSAVG: 4287000 -6.37152 78.5215 2.11796 78.5215 -31.7289 62.7075 2.11799 62.7076 30.853 GPRESSAVG: 4287000 -7.60461 79.2006 4.18575 79.0359 -31.2632 60.6743 0.831733 63.4125 31.0002 TIMING: 4287000 CPU: 12883.8, 0.00297894/step Wall: 12883.8, 0.00297894/step, 0.589996 hours remaining, 211.109375 MB of memory in use. ENERGY: 4287000 745.2040 2109.9047 1958.5855 104.0964 -206663.4116 17921.0979 0.0000 0.0000 34242.7694 -149581.7537 299.0506 -183824.5232 -149480.7767 298.7535 -52.2454 -20.3575 557660.8297 -2.4158 -2.6225 PRESSURE: 4287200 36.0413 64.4532 96.1846 64.453 -22.4681 13.9086 96.1839 13.908 -452.66 GPRESSURE: 4287200 88.4366 -41.3299 149.665 80.2107 3.33189 39.7413 43.3525 75.4976 -429.681 PRESSAVG: 4287200 57.4726 38.5352 -36.0338 38.5353 -5.82109 69.0543 -36.0338 69.0541 -57.7557 GPRESSAVG: 4287200 57.1598 37.3331 -36.0631 38.8292 -6.53894 69.1373 -35.3463 67.4173 -56.9329 TIMING: 4287200 CPU: 12884.4, 0.00295695/step Wall: 12884.4, 0.00295695/step, 0.585476 hours remaining, 211.109375 MB of memory in use. ENERGY: 4287200 753.9703 2019.0586 1932.3929 120.2616 -206526.1258 17836.5360 0.0000 0.0000 34242.4498 -149621.4566 299.0478 -183863.9064 -149527.2083 298.6136 -146.3622 -112.6376 557185.0795 -2.0347 -2.1040 PRESSURE: 4287400 -234.019 -133.393 166.297 -133.393 -10.8497 -121.661 166.297 -121.66 241.02 GPRESSURE: 4287400 -141.741 11.3483 225.527 -158.38 -23.0077 -136.206 82.0701 -201.482 242.787 PRESSAVG: 4287400 24.3114 -23.0252 -2.15294 -23.0252 58.0151 19.0998 -2.15291 19.0998 -53.2234 GPRESSAVG: 4287400 24.6082 -21.3709 -2.08364 -22.942 57.6801 20.1813 -3.14981 21.5202 -53.6651 TIMING: 4287400 CPU: 12885, 0.0029843/step Wall: 12885, 0.0029843/step, 0.590726 hours remaining, 211.109375 MB of memory in use. ENERGY: 4287400 708.0805 2137.8112 1958.1334 106.4866 -206353.6635 17707.3428 0.0000 0.0000 34033.4330 -149702.3760 297.2224 -183735.8090 -149617.6076 298.7934 -1.2829 26.0128 556878.2930 9.7010 9.5411 PRESSURE: 4287600 18.4735 -68.8206 -69.5785 -68.8213 197.452 -28.6242 -69.5789 -28.6234 183.598 GPRESSURE: 4287600 79.8318 -73.706 -27.1507 -63.1431 199.103 -30.3886 -81.4086 -45.3638 219.585 PRESSAVG: 4287600 -50.4641 -51.8514 11.2965 -51.8514 -13.3206 -25.8224 11.2965 -25.8223 67.5248 GPRESSAVG: 4287600 -50.3957 -54.4317 12.369 -53.0447 -13.0372 -26.4812 11.3756 -27.0285 67.6588 TIMING: 4287600 CPU: 12885.6, 0.00298871/step Wall: 12885.6, 0.00298871/step, 0.591433 hours remaining, 211.109375 MB of memory in use. ENERGY: 4287600 764.8676 2067.6712 1948.6939 112.3219 -206826.9595 18136.5415 0.0000 0.0000 34381.4150 -149415.4484 300.2614 -183796.8634 -149313.3758 298.5066 133.1746 166.1731 556713.4056 1.2467 1.4086 PRESSURE: 4287800 105.93 -125.673 -15.8044 -125.672 28.0221 -51.1926 -15.8051 -51.1929 -222.688 GPRESSURE: 4287800 82.6225 -102.615 -23.1592 -28.3683 30.5379 -30.7414 -82.2418 -51.8528 -117.931 PRESSAVG: 4287800 14.6607 -12.8106 -8.48709 -12.8105 -21.8559 -17.7695 -8.48707 -17.7695 -12.6745 GPRESSAVG: 4287800 14.4887 -13.2121 -9.68323 -11.2999 -22.4517 -18.3882 -7.12817 -17.4454 -11.6932 TIMING: 4287800 CPU: 12886.2, 0.00295697/step Wall: 12886.2, 0.00295697/step, 0.584988 hours remaining, 211.109375 MB of memory in use. ENERGY: 4287800 746.7034 2083.3329 1984.8939 115.6809 -206247.9347 17727.0807 0.0000 0.0000 34119.4672 -149470.7758 297.9738 -183590.2429 -149375.9592 299.4628 -29.5789 -1.5903 557351.7768 -6.6232 -6.5521 PRESSURE: 4288000 -153.09 -201.943 -126.558 -201.941 -94.148 -158.083 -126.56 -158.084 -49.8896 GPRESSURE: 4288000 -218.392 -148.886 50.0176 -224.399 18.5539 -59.7139 -212.685 -193.878 8.08585 PRESSAVG: 4288000 4.56787 -31.2597 -10.1332 -31.2597 -15.2727 -77.2461 -10.1333 -77.2461 0.839852 GPRESSAVG: 4288000 3.91534 -31.2521 -10.6118 -30.6789 -14.8709 -78.0937 -11.0462 -77.9849 0.673593 TIMING: 4288000 CPU: 12886.8, 0.00299633/step Wall: 12886.8, 0.00299633/step, 0.592608 hours remaining, 211.109375 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: 4288000 727.7122 2152.9726 1946.6388 120.4746 -206211.3595 17717.1058 0.0000 0.0000 34060.8654 -149485.5902 297.4620 -183546.4556 -149384.4604 298.1832 -99.0425 -63.9175 557660.6039 -3.2883 -3.4273 PRESSURE: 4288200 -61.4696 -48.514 20.0869 -48.5151 -124.095 -63.8031 20.0884 -63.8031 -214.793 GPRESSURE: 4288200 -38.376 -82.9448 -79.9745 -10.8461 -114.505 -148.716 36.7932 49.7603 -166.871 PRESSAVG: 4288200 -51.7262 -17.4254 26.2379 -17.4254 -17.2636 -12.978 26.2379 -12.978 35.9793 GPRESSAVG: 4288200 -50.0424 -15.5947 27.2896 -20.0129 -17.5308 -11.0548 27.1001 -13.6308 35.0736 TIMING: 4288200 CPU: 12887.4, 0.00299416/step Wall: 12887.4, 0.00299416/step, 0.592012 hours remaining, 211.109375 MB of memory in use. ENERGY: 4288200 719.6139 2147.4235 1927.5193 110.0067 -206153.4319 17666.8379 0.0000 0.0000 34205.6282 -149376.4023 298.7263 -183582.0305 -149275.7287 298.8721 -133.4522 -106.5838 557713.8910 -11.0035 -10.8332 LDB: ============= START OF LOAD BALANCING ============== 12890.9 LDB: ============== END OF LOAD BALANCING =============== 12890.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12890.9 LDB: ============= START OF LOAD BALANCING ============== 12891.2 LDB: Largest compute 4802 load 0.027736 is 23.5% of average load 0.118198 LDB: Average compute 0.001735 is 1.5% of average load 0.118198 LDB: TIME 12891.2 LOAD: AVG 0.118198 MAX 0.206581 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.086 MB LDB: TIME 12891.2 LOAD: AVG 0.118198 MAX 0.206581 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.156 MB LDB: TIME 12891.2 LOAD: AVG 0.118198 MAX 0.206581 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.156 MB LDB: ============== END OF LOAD BALANCING =============== 12891.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12891.2 PRESSURE: 4288400 133.782 -12.8289 -132.957 -12.8294 124.404 95.8601 -132.957 95.8613 -146.232 GPRESSURE: 4288400 148.944 -1.90694 -39.5941 9.9408 157.752 16.1384 -164.858 106.287 -94.6286 PRESSAVG: 4288400 -5.86287 -34.2595 6.02391 -34.2595 -24.8794 -30.0032 6.02387 -30.0032 -35.0625 GPRESSAVG: 4288400 -7.13469 -35.1525 4.03497 -34.5289 -23.6911 -31.1498 6.50808 -27.5218 -35.3222 TIMING: 4288400 CPU: 12888, 0.00302586/step Wall: 12888, 0.00302586/step, 0.598111 hours remaining, 210.730469 MB of memory in use. ENERGY: 4288400 761.5427 2075.6053 1955.6744 116.7466 -206457.8833 18017.5536 0.0000 0.0000 34240.8997 -149289.8610 299.0343 -183530.7607 -149197.6463 298.5952 37.3178 70.6890 558211.3164 -21.9349 -22.0493 PRESSURE: 4288600 -106.174 97.6726 -29.2299 97.6715 35.6431 -76.3722 -29.2292 -76.3697 -381.223 GPRESSURE: 4288600 -74.1229 0.265441 24.2079 150.772 74.3491 -111.831 -31.4663 -26.757 -349.651 PRESSAVG: 4288600 8.45689 2.14713 3.27655 2.1471 74.8382 44.2654 3.27663 44.2655 -38.2454 GPRESSAVG: 4288600 9.01127 -0.156351 5.03464 5.70211 74.1003 44.7038 2.38136 42.0068 -37.9388 TIMING: 4288600 CPU: 12888.6, 0.00293698/step Wall: 12888.6, 0.00293698/step, 0.580381 hours remaining, 210.730469 MB of memory in use. ENERGY: 4288600 760.3637 2084.7910 1950.2431 109.1215 -206169.7866 17764.4469 0.0000 0.0000 34343.8825 -149156.9377 299.9337 -183500.8203 -149057.7195 299.1119 -150.5848 -116.4749 558751.8891 15.0166 15.0576 PRESSURE: 4288800 74.834 -11.2057 36.0679 -11.2055 177.389 121.305 36.0671 121.306 90.5708 GPRESSURE: 4288800 147.553 24.7667 127.322 -27.1111 201.451 37.3254 -49.2311 137.904 98.4531 PRESSAVG: 4288800 -15.0734 9.97528 27.9809 9.97542 50.9994 37.4743 27.9809 37.4744 -60.9573 GPRESSAVG: 4288800 -15.7457 12.4728 28.7227 7.05873 52.6293 37.4251 27.9006 37.1478 -61.7102 TIMING: 4288800 CPU: 12889.2, 0.00297906/step Wall: 12889.2, 0.00297906/step, 0.588531 hours remaining, 210.730469 MB of memory in use. ENERGY: 4288800 744.2500 2050.4404 1963.8315 112.0610 -206568.4481 18064.9412 0.0000 0.0000 34425.4832 -149207.4408 300.6463 -183632.9239 -149116.5570 299.4468 114.2645 149.1523 556295.1091 -8.3438 -8.2755 PRESSURE: 4289000 108.376 -112.632 -62.502 -112.632 -122.715 -23.101 -62.5015 -23.1003 -65.9644 GPRESSURE: 4289000 118.756 -98.9222 -8.1831 -25.5524 -83.0801 -14.2499 -129.915 -88.3588 -11.405 PRESSAVG: 4289000 -18.8375 10.7828 11.0318 10.7827 18.1109 -12.4474 11.0318 -12.4473 2.03609 GPRESSAVG: 4289000 -19.0179 10.851 10.2008 10.7605 17.1542 -12.6068 11.1728 -11.1652 2.55618 TIMING: 4289000 CPU: 12889.8, 0.00296368/step Wall: 12889.8, 0.00296368/step, 0.585327 hours remaining, 210.730469 MB of memory in use. ENERGY: 4289000 772.7374 2111.2375 1940.3018 110.7759 -206417.0070 17942.5280 0.0000 0.0000 34262.0166 -149277.4098 299.2187 -183539.4264 -149181.1859 299.8933 -26.7676 8.0903 556288.2925 0.4365 0.2308 PRESSURE: 4289200 -10.3939 -42.6415 -25.944 -42.6411 220.976 -179.515 -25.9436 -179.515 -29.5992 GPRESSURE: 4289200 5.17901 -41.927 -5.02262 -57.5973 242.643 -59.2167 48.0386 -157.572 20.7703 PRESSAVG: 4289200 14.4031 -66.3181 -28.986 -66.318 6.4717 -34.1775 -28.9859 -34.1776 15.2533 GPRESSAVG: 4289200 14.8683 -65.5255 -29.5251 -65.1334 6.04407 -32.9212 -29.3268 -35.189 15.4864 TIMING: 4289200 CPU: 12890.4, 0.00297702/step Wall: 12890.4, 0.00297702/step, 0.587797 hours remaining, 210.730469 MB of memory in use. ENERGY: 4289200 737.4168 2092.8613 1961.5432 112.1314 -206068.3830 17823.7583 0.0000 0.0000 34136.6623 -149204.0097 298.1240 -183340.6720 -149109.1988 299.0807 60.3277 89.5306 556945.4787 12.0427 12.1329 PRESSURE: 4289400 40.1779 91.2662 14.6581 91.2666 -91.0666 86.245 14.6595 86.2454 -377.463 GPRESSURE: 4289400 72.0505 70.962 -10.0155 153.888 -89.2551 34.3058 5.15713 86.8284 -326.832 PRESSAVG: 4289400 40.6013 8.84114 16.2789 8.84114 -26.0839 -17.5056 16.2789 -17.5057 -33.1274 GPRESSAVG: 4289400 41.1456 7.37616 15.3584 8.87656 -25.4726 -18.7722 16.717 -16.6895 -33.9535 TIMING: 4289400 CPU: 12891, 0.00296563/step Wall: 12891, 0.00296563/step, 0.585383 hours remaining, 210.730469 MB of memory in use. ENERGY: 4289400 745.3243 2065.4817 1922.9861 110.4618 -206433.7476 17831.8942 0.0000 0.0000 34483.5141 -149274.0853 301.1531 -183757.5994 -149178.9939 299.3246 -142.7839 -114.6790 557784.6040 -6.2033 -6.0935 PRESSURE: 4289600 87.4873 -183.247 -19.6627 -183.247 -279.537 68.5808 -19.6624 68.579 -4.75348 GPRESSURE: 4289600 117.505 -119.467 35.54 -145.086 -247.745 2.58365 2.43314 103.166 33.2696 PRESSAVG: 4289600 57.1565 4.52146 28.1668 4.5214 16.5696 -8.00818 28.1668 -8.00828 -85.1801 GPRESSAVG: 4289600 56.5984 3.12044 29.0966 5.2779 16.411 -9.27395 28.7003 -7.91387 -84.5562 TIMING: 4289600 CPU: 12891.6, 0.00297639/step Wall: 12891.6, 0.00297639/step, 0.587342 hours remaining, 210.730469 MB of memory in use. ENERGY: 4289600 795.7135 2067.7982 1960.0423 110.2294 -206123.7799 17910.3764 0.0000 0.0000 34078.1860 -149201.4340 297.6133 -183279.6200 -149107.6060 299.0445 -65.6009 -32.3235 558442.8672 -3.8180 -3.8490 PRESSURE: 4289800 -35.5238 11.0424 -114.361 11.0424 -147.828 95.063 -114.362 95.0643 -127.294 GPRESSURE: 4289800 36.8192 28.1056 -74.3969 7.4173 -171.293 143.738 -38.1872 4.6075 -90.6514 PRESSAVG: 4289800 30.3583 11.5998 -7.78045 11.5998 -29.8084 6.34157 -7.78048 6.34149 -4.61192 GPRESSAVG: 4289800 31.5163 13.0274 -8.6307 10.3894 -30.9484 5.45095 -7.2038 6.91611 -3.97923 TIMING: 4289800 CPU: 12892.2, 0.00297827/step Wall: 12892.2, 0.00297827/step, 0.587546 hours remaining, 210.730469 MB of memory in use. ENERGY: 4289800 744.5394 2160.9075 1963.5299 119.7265 -206151.8090 17851.4101 0.0000 0.0000 34017.3622 -149294.3334 297.0821 -183311.6956 -149197.7126 298.7730 -103.5484 -75.0418 559346.8108 -1.3540 -1.1371 PRESSURE: 4290000 -208.729 162.578 -121.912 162.579 4.29185 254.747 -121.913 254.748 -100.7 GPRESSURE: 4290000 -95.8497 149.79 -149.493 170.203 9.37264 173.057 -51.3358 204.833 -120.265 PRESSAVG: 4290000 29.205 21.048 -37.9734 21.0481 -5.21201 54.8756 -37.9734 54.8757 -55.6322 GPRESSAVG: 4290000 27.9466 21.5394 -36.8552 19.5299 -3.56435 56.4058 -40.1496 54.8886 -55.7919 TIMING: 4290000 CPU: 12892.8, 0.00298052/step Wall: 12892.8, 0.00298052/step, 0.587825 hours remaining, 210.730469 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: 4290000 757.8065 2163.5457 1932.9027 109.5566 -206635.9476 18029.1350 0.0000 0.0000 34381.5015 -149261.4995 300.2622 -183643.0010 -149159.3917 299.3483 -101.7124 -68.9141 558432.0790 -10.5464 -10.4699 PRESSURE: 4290200 17.6904 -60.5013 78.1692 -60.5015 -147.789 114.471 78.1689 114.47 2.55857 GPRESSURE: 4290200 -2.90448 8.9427 44.3899 -5.58713 -73.9931 130.994 39.996 96.349 34.2591 PRESSAVG: 4290200 0.216948 5.65582 -48.6852 5.65571 -23.8263 12.9339 -48.6853 12.934 2.55443 GPRESSAVG: 4290200 0.860373 3.60096 -49.9274 8.36183 -24.3167 13.9112 -48.6922 11.9923 2.52107 TIMING: 4290200 CPU: 12893.3, 0.00296985/step Wall: 12893.3, 0.00296985/step, 0.585556 hours remaining, 210.730469 MB of memory in use. ENERGY: 4290200 741.4545 2133.6640 1945.7129 122.9956 -206339.4744 17800.6266 0.0000 0.0000 34211.9199 -149383.1008 298.7812 -183595.0207 -149287.1098 299.1264 -42.5132 -14.2128 558220.9317 -7.0183 -6.9784 PRESSURE: 4290400 84.8778 114.317 -67.2053 114.317 -12.9413 14.5366 -67.2055 14.5378 -217.982 GPRESSURE: 4290400 68.1472 181.843 -180.453 113.014 54.2685 98.9187 18.4462 -101.65 -169.659 PRESSAVG: 4290400 30.8014 25.2574 -36.2676 25.2574 18.9681 -28.0826 -36.2676 -28.0826 -31.3083 GPRESSAVG: 4290400 31.0704 26.5884 -36.8475 25.0097 18.483 -28.0726 -37.5181 -28.8856 -31.4299 TIMING: 4290400 CPU: 12893.9, 0.00296876/step Wall: 12893.9, 0.00296875/step, 0.585175 hours remaining, 210.730469 MB of memory in use. ENERGY: 4290400 770.4193 2101.5941 1931.4184 105.4357 -206564.5138 17913.7183 0.0000 0.0000 34430.4046 -149311.5234 300.6893 -183741.9280 -149210.0584 299.0643 -48.6818 -15.7476 557345.6200 6.1537 6.0411 PRESSURE: 4290600 244.948 28.1539 37.3507 28.153 -23.2358 6.53917 37.3505 6.54087 -88.6959 GPRESSURE: 4290600 261.315 88.0028 47.023 -20.1967 25.5225 -5.15535 61.2513 54.7714 -50.9374 PRESSAVG: 4290600 62.9033 38.6274 -5.64919 38.6273 -33.8707 -4.05441 -5.64925 -4.05445 -17.3124 GPRESSAVG: 4290600 63.1377 38.4056 -5.57628 38.5021 -33.6468 -5.22096 -4.60599 -2.77514 -17.9233 TIMING: 4290600 CPU: 12894.5, 0.00296936/step Wall: 12894.5, 0.00296936/step, 0.585129 hours remaining, 210.730469 MB of memory in use. ENERGY: 4290600 742.6209 2076.5640 1922.3853 111.9290 -206629.3020 18020.1187 0.0000 0.0000 34398.6673 -149357.0168 300.4121 -183755.6841 -149262.3215 298.9081 44.3389 78.6333 556825.4650 3.9068 3.8559 PRESSURE: 4290800 -57.9371 -28.5549 -111.297 -28.5553 318.106 24.0401 -111.298 24.0414 -166.147 GPRESSURE: 4290800 -45.2108 -60.0694 -96.9848 -28.6453 351.636 33.8568 -110.291 1.16488 -113.666 PRESSAVG: 4290800 23.8632 32.6531 -5.71975 32.6531 20.9318 47.6103 -5.71976 47.6103 -94.8426 GPRESSAVG: 4290800 22.8716 30.4839 -5.66532 32.8702 21.2729 46.2026 -4.19542 48.1255 -94.18 TIMING: 4290800 CPU: 12895.1, 0.00297461/step Wall: 12895.1, 0.00297461/step, 0.585997 hours remaining, 210.730469 MB of memory in use. ENERGY: 4290800 718.8863 2176.3938 1925.8912 114.0338 -206283.5928 17736.4968 0.0000 0.0000 34496.7583 -149115.1326 301.2688 -183611.8910 -149015.4645 299.1606 31.3406 64.2530 556852.5631 -16.6826 -16.6785 PRESSURE: 4291000 36.4517 51.1747 -71.7874 51.175 -217.25 54.288 -71.7877 54.2865 -137.988 GPRESSURE: 4291000 25.0616 56.654 -38.184 112.651 -180.026 82.9832 -69.527 55.1891 -70.8272 PRESSAVG: 4291000 -10.0037 10.5468 -16.5256 10.5468 -12.4236 -37.303 -16.5257 -37.303 18.4085 GPRESSAVG: 4291000 -9.65854 12.4629 -15.5182 9.76562 -12.4549 -35.2382 -16.2578 -39.9606 17.5679 TIMING: 4291000 CPU: 12895.7, 0.00296375/step Wall: 12895.7, 0.00296375/step, 0.583694 hours remaining, 210.730469 MB of memory in use. ENERGY: 4291000 740.4356 2118.0032 1956.8787 106.6877 -205781.7172 17611.9999 0.0000 0.0000 34260.5185 -148987.1936 299.2056 -183247.7121 -148884.7232 299.5207 -106.2619 -75.2640 558112.5585 -1.3396 -1.5152 PRESSURE: 4291200 133.447 -108.253 -101.604 -108.254 25.9047 -160.383 -101.606 -160.382 -45.5553 GPRESSURE: 4291200 147.975 -110.283 -136.165 -93.3089 69.3925 -113.324 -48.2601 -253.759 -6.39674 PRESSAVG: 4291200 7.17621 -5.1301 23.9075 -5.13002 50.1887 -72.5733 23.9075 -72.5734 -34.5949 GPRESSAVG: 4291200 8.32885 -4.62442 23.1604 -5.84731 49.2985 -74.034 23.9501 -70.77 -34.4892 TIMING: 4291200 CPU: 12896.3, 0.00301673/step Wall: 12896.3, 0.00301673/step, 0.59396 hours remaining, 210.730469 MB of memory in use. ENERGY: 4291200 777.3783 2120.3227 1944.4393 122.4808 -206256.4936 17953.3594 0.0000 0.0000 34376.0127 -148962.5004 300.2143 -183338.5131 -148866.8419 299.9613 37.9321 70.3237 558338.6860 7.5900 7.7127 PRESSURE: 4291400 192.25 -5.25066 85.8175 -5.24967 155.375 -48.2146 85.8166 -48.2124 190.197 GPRESSURE: 4291400 268.238 18.8555 89.8894 -35.1086 193.122 71.8633 37.379 -101.001 172.699 PRESSAVG: 4291400 -19.8998 44.73 -14.9156 44.73 -39.6861 23.02 -14.9156 23.0201 36.372 GPRESSAVG: 4291400 -21.1457 44.2165 -14.1365 45.4473 -38.9739 24.2461 -16.5264 23.518 37.0196 TIMING: 4291400 CPU: 12896.9, 0.00299457/step Wall: 12896.9, 0.00299457/step, 0.589431 hours remaining, 210.730469 MB of memory in use. ENERGY: 4291400 725.6009 2100.3679 1960.5856 120.0205 -206246.8040 17976.0950 0.0000 0.0000 34432.3986 -148931.7354 300.7067 -183364.1340 -148839.8096 299.9071 179.2738 211.3533 557666.7860 -7.7380 -7.7000 PRESSURE: 4291600 -216.67 -9.60808 64.2926 -9.60952 -33.4166 18.5109 64.2941 18.5101 -124.911 GPRESSURE: 4291600 -223.734 -96.622 28.4867 -35.0458 55.0585 -30.2346 37.9545 -21.0962 -110.181 PRESSAVG: 4291600 33.8045 64.3665 36.2704 64.3665 -59.1511 -4.37747 36.2704 -4.37753 45.4335 GPRESSAVG: 4291600 34.7902 66.2373 36.1102 63.0958 -58.9833 -4.55354 34.7955 -5.93587 44.5243 TIMING: 4291600 CPU: 12897.5, 0.00298836/step Wall: 12897.5, 0.00298836/step, 0.588044 hours remaining, 210.730469 MB of memory in use. ENERGY: 4291600 775.9746 2064.6191 1935.5765 101.8370 -206190.4474 17742.5215 0.0000 0.0000 34585.6179 -148984.3008 302.0448 -183569.9187 -148884.4490 300.1574 -124.9990 -92.9524 558563.3965 6.6957 6.7771 PRESSURE: 4291800 172.435 52.4814 -46.3632 52.4822 -104.036 62.9368 -46.362 62.9363 -183.048 GPRESSURE: 4291800 160.798 39.6595 39.7387 67.2018 -50.5251 69.8418 -83.1418 59.565 -127.554 PRESSAVG: 4291800 50.2888 23.9888 52.6222 23.9889 -53.279 43.7433 52.6222 43.7432 24.6059 GPRESSAVG: 4291800 48.7903 21.8318 51.6872 24.539 -52.7185 43.0373 53.9118 45.5667 25.3464 TIMING: 4291800 CPU: 12898.1, 0.00297374/step Wall: 12898.1, 0.00297374/step, 0.585 hours remaining, 210.730469 MB of memory in use. ENERGY: 4291800 743.2557 2094.1973 1965.3546 114.0901 -205779.3239 17557.7226 0.0000 0.0000 34300.5960 -149004.1077 299.5556 -183304.7037 -148906.2292 300.1779 -38.2164 -5.7604 556889.6685 7.2052 7.1394 PRESSURE: 4292000 -241.401 -18.8698 -81.1936 -18.8701 -35.0381 -77.9941 -81.193 -77.9948 318.887 GPRESSURE: 4292000 -209.985 -30.5999 -57.1697 51.2318 6.61342 -229.919 -63.972 -13.6375 337.55 PRESSAVG: 4292000 5.13908 12.1498 17.4092 12.1498 20.1166 -28.5049 17.4093 -28.5049 -50.282 GPRESSAVG: 4292000 5.60427 11.7834 17.6899 12.4901 19.8876 -27.2045 18.0275 -29.6397 -50.3794 TIMING: 4292000 CPU: 12898.7, 0.00302147/step Wall: 12898.7, 0.00302147/step, 0.594222 hours remaining, 210.730469 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: 4292000 745.2392 2074.6709 1954.9961 129.0943 -205889.8713 17708.3251 0.0000 0.0000 34254.1437 -149023.4020 299.1500 -183277.5457 -148925.8264 300.1428 14.1494 44.7260 555591.8079 -8.3421 -8.2958 PRESSURE: 4292200 97.0935 12.8741 160.831 12.8739 234.373 -71.5907 160.832 -71.5919 81.8384 GPRESSURE: 4292200 79.8647 16.3751 75.1211 83.9397 258.032 -79.8332 243.649 -69.9089 158.31 PRESSAVG: 4292200 -39.2019 18.608 62.3051 18.6081 11.2701 -39.6322 62.3051 -39.6322 44.7948 GPRESSAVG: 4292200 -38.7267 19.2895 61.5009 18.558 11.1436 -39.3714 62.5819 -41.022 44.8459 TIMING: 4292200 CPU: 12899.3, 0.00298293/step Wall: 12899.3, 0.00298293/step, 0.586478 hours remaining, 210.730469 MB of memory in use. ENERGY: 4292200 750.1751 2054.3702 1945.6855 118.9039 -206288.9088 17861.5189 0.0000 0.0000 34387.3729 -149170.8824 300.3135 -183558.2553 -149070.5930 299.9977 137.7683 165.4022 556323.9755 5.6210 5.7543 LDB: ============= START OF LOAD BALANCING ============== 12902.8 LDB: ============== END OF LOAD BALANCING =============== 12902.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12902.8 LDB: ============= START OF LOAD BALANCING ============== 12903.1 LDB: Largest compute 4802 load 0.029551 is 25.0% of average load 0.118258 LDB: Average compute 0.001734 is 1.5% of average load 0.118258 LDB: TIME 12903.1 LOAD: AVG 0.118258 MAX 0.209171 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.289 MB LDB: TIME 12903.1 LOAD: AVG 0.118258 MAX 0.209171 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.359 MB LDB: TIME 12903.1 LOAD: AVG 0.118258 MAX 0.209171 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.359 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12903.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12903.1 PRESSURE: 4292400 184.468 99.8436 86.3416 99.8437 -152.793 -62.3436 86.342 -62.3443 117.248 GPRESSURE: 4292400 151.955 85.6775 70.5914 82.3127 -56.1117 -91.8415 38.1999 -72.9823 150.786 PRESSAVG: 4292400 -35.4403 45.7381 15.9248 45.738 -72.0187 0.246857 15.9248 0.246852 91.9353 GPRESSAVG: 4292400 -35.0675 46.2164 16.7433 45.902 -72.0511 -0.545206 16.0701 1.90097 91.5514 TIMING: 4292400 CPU: 12899.9, 0.00303267/step Wall: 12899.9, 0.00303267/step, 0.596088 hours remaining, 209.316406 MB of memory in use. ENERGY: 4292400 703.9083 2114.9400 1938.3666 99.2850 -205564.4135 17487.9069 0.0000 0.0000 34070.8626 -149149.1440 297.5493 -183220.0066 -149051.1176 298.9930 49.6409 82.2099 558245.9217 -5.1746 -5.1891 PRESSURE: 4292600 -192.753 26.3255 7.66106 26.3255 -45.7096 -12.4537 7.66056 -12.4537 107.768 GPRESSURE: 4292600 -182.941 -37.522 23.6431 -11.733 11.7252 -69.0354 -27.6297 -108.214 134.335 PRESSAVG: 4292600 29.3114 -20.8396 -5.22782 -20.8396 -55.1654 11.4732 -5.22783 11.4732 33.5968 GPRESSAVG: 4292600 29.0226 -21.1639 -4.05766 -20.9097 -54.6611 11.716 -5.43582 10.6503 33.3172 TIMING: 4292600 CPU: 12900.5, 0.00296649/step Wall: 12900.5, 0.00296649/step, 0.582916 hours remaining, 209.558594 MB of memory in use. ENERGY: 4292600 733.1066 2077.3189 1973.9712 120.0265 -206232.6675 17697.5368 0.0000 0.0000 34481.7749 -149148.9327 301.1379 -183630.7075 -149057.4165 299.6588 -43.5648 -12.2937 558263.9688 2.5809 2.5596 PRESSURE: 4292800 0.954477 -71.2201 -5.23076 -71.2196 -80.0714 96.7006 -5.2298 96.7013 -202.861 GPRESSURE: 4292800 61.5116 -79.4751 -67.0465 31.1574 -21.6385 108.842 24.322 37.5404 -222.931 PRESSAVG: 4292800 66.9526 39.2117 -41.8803 39.2117 -29.2257 -72.0853 -41.8803 -72.0853 15.86 GPRESSAVG: 4292800 67.0973 39.3806 -41.51 41.0316 -29.4814 -71.9445 -41.8148 -73.6282 15.9826 TIMING: 4292800 CPU: 12901.1, 0.00297567/step Wall: 12901.1, 0.00297567/step, 0.584555 hours remaining, 209.558594 MB of memory in use. ENERGY: 4292800 774.4580 2053.3882 1920.1882 121.7631 -206206.1945 17584.1521 0.0000 0.0000 34562.6919 -149189.5531 301.8446 -183752.2450 -149084.7848 299.8255 -93.9926 -61.0193 558138.1623 17.8623 17.8662 PRESSURE: 4293000 -350.627 26.9749 34.2145 26.9743 39.8504 140.187 34.2139 140.186 -200.497 GPRESSURE: 4293000 -306.248 103.448 -22.2753 -15.2025 57.3594 90.1357 -4.57962 59.1276 -163.569 PRESSAVG: 4293000 -4.87665 1.71568 5.42822 1.71556 26.1718 -7.4768 5.42817 -7.47671 -15.0303 GPRESSAVG: 4293000 -5.54652 1.99989 5.31178 -1.12229 26.3192 -7.80836 5.07686 -4.61907 -14.8416 TIMING: 4293000 CPU: 12901.7, 0.00297183/step Wall: 12901.7, 0.00297183/step, 0.583635 hours remaining, 209.558594 MB of memory in use. ENERGY: 4293000 764.0411 2135.7763 1954.1907 115.7347 -206234.9163 17767.9211 0.0000 0.0000 34361.0896 -149136.1629 300.0839 -183497.2525 -149036.8521 299.9521 -170.4245 -137.4860 558771.0323 2.0883 1.9770 PRESSURE: 4293200 246.229 41.3928 9.87479 41.3933 -9.891 6.45799 9.87436 6.45721 -126.936 GPRESSURE: 4293200 261.844 70.9522 -55.1139 32.5382 37.2913 -61.9143 108.933 31.0557 -95.5383 PRESSAVG: 4293200 34.4893 9.32506 -42.0659 9.32513 -7.07955 -81.8349 -42.0659 -81.835 17.1296 GPRESSAVG: 4293200 34.6149 8.99032 -42.3601 10.0291 -7.51014 -81.889 -42.0811 -83.3014 17.2162 TIMING: 4293200 CPU: 12902.3, 0.00295851/step Wall: 12902.3, 0.00295851/step, 0.580853 hours remaining, 209.558594 MB of memory in use. ENERGY: 4293200 701.4976 2074.1283 1934.3637 115.0286 -206533.0772 17875.4880 0.0000 0.0000 34492.8486 -149339.7223 301.2346 -183832.5709 -149239.9105 299.4604 36.4674 67.8657 557725.8454 14.8464 14.7736 PRESSURE: 4293400 71.9873 126.612 -2.6848 126.612 -350.181 95.9787 -2.68538 95.9794 54.347 GPRESSURE: 4293400 91.1756 215.965 -18.0242 53.5467 -322.1 72.5321 -0.658434 220.075 97.1793 PRESSAVG: 4293400 23.3689 -0.912776 -9.62141 -0.912855 -30.9262 -16.5229 -9.62141 -16.523 35.3422 GPRESSAVG: 4293400 25.0947 -1.37472 -9.53437 -0.900608 -32.7633 -17.504 -10.1284 -15.1111 35.8833 TIMING: 4293400 CPU: 12902.9, 0.00298576/step Wall: 12902.9, 0.00298576/step, 0.586038 hours remaining, 209.558594 MB of memory in use. ENERGY: 4293400 735.2837 2014.1578 1943.3970 132.2383 -205801.8400 17546.6486 0.0000 0.0000 34218.2910 -149211.8235 298.8368 -183430.1145 -149112.7042 300.0641 -74.6155 -44.5818 558517.7282 9.2616 9.4049 PRESSURE: 4293600 -183.328 -127.1 -43.1405 -127.101 -235.896 -103.651 -43.1403 -103.65 -96.9043 GPRESSURE: 4293600 -217.024 -164.394 -63.3514 -49.6436 -165.343 -126.903 -61.1235 -2.40412 -42.2497 PRESSAVG: 4293600 -0.540283 -41.4517 -30.2033 -41.4516 64.8405 -9.06431 -30.2033 -9.06425 -21.7949 GPRESSAVG: 4293600 -1.48239 -39.7586 -30.2381 -41.3384 66.4651 -10.2126 -29.0649 -7.70828 -21.7227 TIMING: 4293600 CPU: 12903.5, 0.00298806/step Wall: 12903.5, 0.00298806/step, 0.586323 hours remaining, 209.558594 MB of memory in use. ENERGY: 4293600 737.3270 2073.2208 1947.8156 113.9624 -206057.2485 17521.4641 0.0000 0.0000 34373.4129 -149290.0456 300.1916 -183663.4585 -149189.4409 299.6417 -172.0428 -141.5386 557088.8313 14.1684 14.4200 PRESSURE: 4293800 -127.014 99.7877 -4.76142 99.7873 -202.832 178.97 -4.76095 178.971 -49.6367 GPRESSURE: 4293800 -159.998 94.103 -3.30122 107.476 -158.012 206.857 20.9437 165.252 41.3785 PRESSAVG: 4293800 -67.0304 -12.6348 -93.1027 -12.6348 26.333 6.44334 -93.1027 6.44338 -3.85791 GPRESSAVG: 4293800 -68.3351 -11.5682 -93.558 -14.2914 27.0703 6.94498 -92.5385 4.78058 -3.20407 TIMING: 4293800 CPU: 12904.1, 0.00297719/step Wall: 12904.1, 0.00297719/step, 0.584024 hours remaining, 209.558594 MB of memory in use. ENERGY: 4293800 753.5142 2054.8497 1922.4442 103.2543 -205878.9038 17602.6515 0.0000 0.0000 34221.3424 -149220.8476 298.8635 -183442.1899 -149122.0371 300.0369 -126.4939 -92.2106 557384.7618 -14.8518 -14.8230 PRESSURE: 4294000 -160.569 155.967 73.0912 155.967 -40.2538 80.685 73.0894 80.6848 -27.1926 GPRESSURE: 4294000 -101.491 124.213 48.8841 209.622 -41.4626 48.3315 141.94 37.3998 -3.41992 PRESSAVG: 4294000 -81.7917 19.785 5.25417 19.7849 11.6529 23.5188 5.25415 23.5188 81.8789 GPRESSAVG: 4294000 -79.5373 17.243 5.96146 21.6263 9.99385 23.3287 4.08624 24.2347 81.6273 TIMING: 4294000 CPU: 12904.7, 0.00297467/step Wall: 12904.7, 0.00297467/step, 0.583365 hours remaining, 209.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4294000 705.1027 2047.4292 1959.1593 118.4035 -205919.4705 17611.0063 0.0000 0.0000 34282.8789 -149195.4907 299.4009 -183478.3696 -149098.7207 298.7184 -76.0050 -48.7912 557686.7129 3.9134 4.0279 PRESSURE: 4294200 -79.7357 -94.2012 -34.7184 -94.1995 -54.9091 -91.7434 -34.7181 -91.7423 155.88 GPRESSURE: 4294200 -44.6294 -114.013 78.9193 -85.9101 -35.2313 -0.511015 -38.6406 -142.491 207.02 PRESSAVG: 4294200 -71.4709 -2.69455 -28.5265 -2.69454 44.4758 5.85654 -28.5265 5.85656 49.885 GPRESSAVG: 4294200 -72.9743 -0.631035 -29.5121 -3.73334 46.038 8.13616 -28.0199 3.09518 50.1927 TIMING: 4294200 CPU: 12905.3, 0.00299446/step Wall: 12905.3, 0.00299446/step, 0.58708 hours remaining, 209.558594 MB of memory in use. ENERGY: 4294200 733.2683 2105.3542 1933.4368 121.8402 -206171.1624 17757.8488 0.0000 0.0000 34279.0703 -149240.3438 299.3676 -183519.4141 -149149.0186 299.0658 7.0784 42.3865 557199.8949 7.6300 7.7521 PRESSURE: 4294400 -145.952 -100.386 -190.881 -100.386 20.4973 162.24 -190.88 162.239 144.99 GPRESSURE: 4294400 -105.373 -113.897 -180.28 -93.7542 69.7934 81.3722 -77.585 30.6763 147.141 PRESSAVG: 4294400 -80.1476 13.095 -43.8808 13.0951 44.4459 14.966 -43.8809 14.966 -7.84995 GPRESSAVG: 4294400 -80.1961 12.0944 -42.5344 14.1563 43.6717 14.7783 -44.6041 15.5667 -7.54392 TIMING: 4294400 CPU: 12905.9, 0.00297217/step Wall: 12905.9, 0.00297217/step, 0.582546 hours remaining, 209.558594 MB of memory in use. ENERGY: 4294400 741.4701 2079.2331 1936.3332 105.8550 -206130.5511 17789.2911 0.0000 0.0000 34303.3136 -149175.0550 299.5794 -183478.3686 -149077.1131 299.6758 6.5119 37.1870 558748.4194 -14.5172 -14.6894 PRESSURE: 4294600 43.2412 -178.106 -158.474 -178.104 -231.152 63.6003 -158.474 63.5996 -199.432 GPRESSURE: 4294600 49.6191 -146.948 -151.24 -68.5729 -245.722 118.319 -149.696 -20.3829 -99.5564 PRESSAVG: 4294600 1.84601 -47.8221 5.73015 -47.8222 14.6682 6.75986 5.73013 6.75988 -36 GPRESSAVG: 4294600 2.58486 -50.6679 3.9763 -48.9191 14.4096 5.8004 6.8233 7.75097 -36.8996 TIMING: 4294600 CPU: 12906.5, 0.00297749/step Wall: 12906.5, 0.00297749/step, 0.583422 hours remaining, 209.558594 MB of memory in use. ENERGY: 4294600 802.4683 2075.7831 1921.1633 121.5182 -206287.0917 17802.5219 0.0000 0.0000 34272.0337 -149291.6032 299.3062 -183563.6369 -149197.5813 299.1026 -129.1141 -98.5532 558678.4434 -6.4953 -6.6351 PRESSURE: 4294800 -356.592 -257.191 55.2209 -257.19 -250.751 -155.597 55.2216 -155.596 -342.901 GPRESSURE: 4294800 -352.627 -241.873 140.165 -196.411 -188.688 -156.163 75.4508 -148.623 -310.807 PRESSAVG: 4294800 45.7679 -74.1873 -26.7093 -74.1872 -6.6735 -36.0355 -26.7093 -36.0355 -42.2612 GPRESSAVG: 4294800 44.7244 -69.7988 -26.0858 -74.2836 -6.05763 -35.9759 -27.7212 -36.4207 -42.3052 TIMING: 4294800 CPU: 12907.1, 0.00297142/step Wall: 12907.1, 0.00297142/step, 0.582069 hours remaining, 209.558594 MB of memory in use. ENERGY: 4294800 752.3362 2164.1645 1967.1671 111.6707 -205946.9910 17507.1157 0.0000 0.0000 34043.0454 -149401.4914 297.3064 -183444.5368 -149308.8449 299.3238 -316.7480 -284.0408 559158.0169 -1.0556 -1.2128 PRESSURE: 4295000 121.623 -68.0563 -6.28793 -68.0567 -81.7481 -132.045 -6.28774 -132.046 -445.212 GPRESSURE: 4295000 140.952 -143.045 60.1305 -2.21199 -49.6847 -103.97 -118.12 -158.575 -406.841 PRESSAVG: 4295000 3.85159 -92.5356 8.60643 -92.5355 -21.6294 -28.8196 8.60637 -28.8197 -17.5082 GPRESSAVG: 4295000 4.50692 -94.5164 6.61979 -92.5308 -22.643 -27.0486 9.58272 -29.292 -17.0357 TIMING: 4295000 CPU: 12907.7, 0.00297946/step Wall: 12907.7, 0.00297946/step, 0.583478 hours remaining, 209.558594 MB of memory in use. ENERGY: 4295000 720.2833 2145.3297 1928.3676 104.4958 -205930.1582 17602.4350 0.0000 0.0000 34121.2149 -149308.0320 297.9891 -183429.2468 -149213.1217 298.6893 -135.1121 -105.1913 558481.6037 -11.7620 -11.7239 PRESSURE: 4295200 -11.5646 65.5071 143.817 65.507 -18.6905 -79.834 143.817 -79.8351 180.129 GPRESSURE: 4295200 51.1955 91.1493 160.389 1.90625 31.052 -49.0596 112.277 -41.8552 157.306 PRESSAVG: 4295200 33.4007 -68.6733 -4.61668 -68.6732 6.29215 35.4705 -4.61678 35.4705 -4.21397 GPRESSAVG: 4295200 33.5693 -68.1876 -3.52347 -68.8649 6.71044 33.5946 -5.60486 35.1717 -4.52471 TIMING: 4295200 CPU: 12908.3, 0.00296662/step Wall: 12908.3, 0.00296662/step, 0.580798 hours remaining, 209.558594 MB of memory in use. ENERGY: 4295200 730.7119 2119.7510 1941.6614 106.8654 -206499.3629 17994.2659 0.0000 0.0000 34361.3620 -149244.7453 300.0863 -183606.1073 -149147.2504 298.9595 49.9579 79.8510 556846.5304 11.8263 11.9183 PRESSURE: 4295400 53.6003 62.796 59.7478 62.7958 63.4846 -18.1786 59.7491 -18.1786 6.46696 GPRESSURE: 4295400 79.9386 -24.6016 52.1851 73.576 39.8136 -17.978 79.2642 -96.0205 90.0127 PRESSAVG: 4295400 28.7877 16.075 19.9537 16.0751 -6.95231 -12.5894 19.9537 -12.5894 16.4994 GPRESSAVG: 4295400 28.0928 16.8015 18.5503 14.243 -5.80557 -12.4108 21.5157 -12.7907 16.1044 TIMING: 4295400 CPU: 12908.8, 0.00297473/step Wall: 12908.8, 0.00297473/step, 0.582222 hours remaining, 209.558594 MB of memory in use. ENERGY: 4295400 735.3468 2124.3141 1928.7663 100.3787 -206352.4175 17894.5477 0.0000 0.0000 34300.9624 -149268.1017 299.5588 -183569.0641 -149170.9137 298.9877 41.1840 69.9216 559449.8837 12.7783 12.7972 PRESSURE: 4295600 37.7984 -43.4432 0.532183 -43.4429 17.9745 -0.195178 0.532292 -0.196724 -70.8958 GPRESSURE: 4295600 70.0786 -13.9884 -17.839 -52.432 -20.4366 -38.5419 26.7703 43.6412 30.1356 PRESSAVG: 4295600 18.6228 24.527 21.7334 24.527 -22.5455 -15.5334 21.7333 -15.5333 39.2159 GPRESSAVG: 4295600 18.3371 24.0294 22.4682 25.423 -23.8153 -16.5653 19.4381 -15.0585 41.0434 TIMING: 4295600 CPU: 12909.4, 0.00298565/step Wall: 12909.4, 0.00298565/step, 0.584193 hours remaining, 209.558594 MB of memory in use. ENERGY: 4295600 735.7392 2134.0655 1950.5507 121.9727 -205985.5923 17761.0254 0.0000 0.0000 34142.1553 -149140.0836 298.1719 -183282.2388 -149047.6189 299.1865 -5.0410 26.5926 558712.6169 11.7644 11.8551 PRESSURE: 4295800 67.6704 101.569 43.2628 101.57 63.2022 24.6087 43.2635 24.6092 -74.1645 GPRESSURE: 4295800 79.8468 135.505 20.1291 50.0885 56.9238 14.017 67.5695 14.1704 7.62859 PRESSAVG: 4295800 16.5216 37.9737 15.5002 37.9736 -13.9291 -26.132 15.5002 -26.132 5.33774 GPRESSAVG: 4295800 17.4025 35.5653 16.0347 40.4191 -14.416 -25.5384 15.4622 -24.7025 4.82637 TIMING: 4295800 CPU: 12910, 0.00301181/step Wall: 12910, 0.00301181/step, 0.589144 hours remaining, 209.558594 MB of memory in use. ENERGY: 4295800 754.8811 2135.7502 1960.9369 118.0844 -206746.0239 17972.6532 0.0000 0.0000 34513.9389 -149289.7791 301.4188 -183803.7181 -149197.4135 299.7068 18.9027 48.1330 557270.3057 2.6434 2.6043 PRESSURE: 4296000 -132.342 10.2409 10.0848 10.2412 -73.3634 -142.378 10.0848 -142.378 14.8748 GPRESSURE: 4296000 -108.67 39.7595 5.28708 -22.2407 -67.4736 -104.751 11.3978 -189.437 85.6699 PRESSAVG: 4296000 -11.7207 -59.0334 -22.6911 -59.0335 -55.7671 5.94724 -22.6911 5.94726 67.6325 GPRESSAVG: 4296000 -11.2281 -58.7664 -23.3283 -57.9896 -55.4873 6.56904 -20.963 6.63463 66.9568 TIMING: 4296000 CPU: 12910.6, 0.00295298/step Wall: 12910.6, 0.00295298/step, 0.577471 hours remaining, 209.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4296000 758.0930 2089.7519 1958.5207 100.8641 -206291.6045 17708.5138 0.0000 0.0000 34401.5032 -149274.3579 300.4369 -183675.8611 -149180.4478 299.4532 -63.6102 -30.1581 557821.2912 0.0482 0.0805 PRESSURE: 4296200 -8.77351 18.5666 225.607 18.5678 -102.161 -88.3439 225.607 -88.342 -56.169 GPRESSURE: 4296200 -15.5957 -26.4009 84.8443 96.7773 5.69894 -70.6634 276.285 -34.2484 -57.9062 PRESSAVG: 4296200 49.6334 -16.4659 -3.74565 -16.4659 -6.71735 -17.6716 -3.74563 -17.6716 -20.2025 GPRESSAVG: 4296200 48.5799 -15.0373 -2.173 -17.9147 -5.54646 -19.2142 -5.83878 -18.5547 -20.504 TIMING: 4296200 CPU: 12911.2, 0.00295181/step Wall: 12911.2, 0.00295181/step, 0.577078 hours remaining, 209.558594 MB of memory in use. ENERGY: 4296200 778.2458 2063.2515 1940.6988 116.9774 -206011.4939 17711.4284 0.0000 0.0000 34214.0217 -149186.8703 298.7996 -183400.8920 -149098.7875 299.8748 -55.7011 -22.6010 557553.2207 7.5712 7.5098 LDB: ============= START OF LOAD BALANCING ============== 12914.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12914.7 LDB: =============== DONE WITH MIGRATION ================ 12914.7 LDB: ============= START OF LOAD BALANCING ============== 12915 LDB: Largest compute 4802 load 0.026644 is 22.5% of average load 0.118177 LDB: Average compute 0.001740 is 1.5% of average load 0.118177 LDB: TIME 12915 LOAD: AVG 0.118177 MAX 0.207001 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.453 MB LDB: TIME 12915 LOAD: AVG 0.118177 MAX 0.207001 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.453 MB LDB: TIME 12915 LOAD: AVG 0.118177 MAX 0.207001 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.453 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12915 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12915.1 PRESSURE: 4296400 62.1908 -119.77 68.6026 -119.771 87.7661 128.276 68.6025 128.275 -111.594 GPRESSURE: 4296400 108.64 -99.6498 21.3109 -126.574 62.8065 115.689 47.4769 172.332 -43.4198 PRESSAVG: 4296400 29.7905 -39.1326 20.5791 -39.1325 3.3041 43.1346 20.579 43.1348 -33.3107 GPRESSAVG: 4296400 30.0637 -42.4533 17.5093 -38.6744 2.63879 42.9893 24.0365 45.0659 -32.8407 TIMING: 4296400 CPU: 12911.8, 0.0030391/step Wall: 12911.8, 0.0030391/step, 0.593975 hours remaining, 208.941406 MB of memory in use. ENERGY: 4296400 750.4312 2011.7895 1935.6569 108.9538 -206269.5244 17868.6701 0.0000 0.0000 34207.6190 -149386.4039 298.7436 -183594.0229 -149293.5112 298.7111 12.7876 42.6755 557574.6181 -0.0720 -0.0461 PRESSURE: 4296600 57.8402 236.349 213.605 236.349 218.702 231.491 213.605 231.49 -116.656 GPRESSURE: 4296600 48.2783 218.69 284.405 182.289 234.261 222.286 203.634 138.359 -28.0893 PRESSAVG: 4296600 -26.8062 -54.5791 9.61481 -54.5792 56.7208 45.1977 9.61471 45.1977 -20.3901 GPRESSAVG: 4296600 -26.3665 -53.2498 11.881 -55.0516 56.8307 46.956 7.24969 43.1227 -20.7794 TIMING: 4296600 CPU: 12912.4, 0.00293923/step Wall: 12912.4, 0.00293923/step, 0.574294 hours remaining, 208.941406 MB of memory in use. ENERGY: 4296600 734.1324 2138.2790 1914.5522 110.1226 -206445.2179 17911.3642 0.0000 0.0000 34087.4405 -149549.3269 297.6941 -183636.7674 -149455.2338 298.3992 53.2953 84.8166 557881.1411 3.1748 3.2283 PRESSURE: 4296800 -86.5169 -140.865 36.0727 -140.864 -217.053 15.6264 36.073 15.6274 111.825 GPRESSURE: 4296800 -41.2165 -84.847 -13.1655 -132.928 -175.378 23.5141 110.523 37.1747 123.484 PRESSAVG: 4296800 46.7118 -0.653417 -0.0301369 -0.653411 -37.6935 5.11353 -0.0300937 5.11352 -16.0518 GPRESSAVG: 4296800 46.9058 0.107606 -1.215 -0.466935 -38.0126 4.23908 0.0418268 5.88175 -16.0195 TIMING: 4296800 CPU: 12913, 0.00295057/step Wall: 12913, 0.00295057/step, 0.576345 hours remaining, 208.941406 MB of memory in use. ENERGY: 4296800 720.5311 2073.0596 1969.2966 106.2816 -206481.5223 17809.0466 0.0000 0.0000 34056.8352 -149746.4717 297.4268 -183803.3068 -149648.8338 297.9811 -63.9149 -31.0369 557658.0254 -2.3445 -2.3755 PRESSURE: 4297000 -234.966 25.3973 93.9809 25.3983 -176.51 -30.0857 93.98 -30.0871 -360.181 GPRESSURE: 4297000 -208.101 2.54127 130.041 43.2576 -164.557 -60.4186 18.6723 -14.6187 -312.085 PRESSAVG: 4297000 31.0718 -9.42157 79.0564 -9.42168 -54.2594 -21.6288 79.0562 -21.6288 2.82866 GPRESSAVG: 4297000 30.4509 -7.64575 81.219 -12.1609 -54.3106 -21.6747 79.1022 -21.4084 3.72985 TIMING: 4297000 CPU: 12913.6, 0.00295271/step Wall: 12913.6, 0.00295271/step, 0.576599 hours remaining, 208.941406 MB of memory in use. ENERGY: 4297000 759.3131 2045.9272 1965.3282 125.3449 -206119.8073 17573.6121 0.0000 0.0000 33886.4784 -149763.8033 295.9390 -183650.2817 -149665.8485 297.7620 -257.2190 -228.2477 557999.4105 -6.7863 -6.7099 PRESSURE: 4297200 -42.991 -41.9541 59.9028 -41.9547 63.989 6.92854 59.9027 6.92765 -68.3536 GPRESSURE: 4297200 -7.50028 -1.71139 -46.6073 -66.7955 102.011 -64.3094 104.449 74.5448 -34.9713 PRESSAVG: 4297200 49.4965 -75.4176 16.7272 -75.4176 -19.8167 -37.005 16.7273 -37.005 3.74858 GPRESSAVG: 4297200 48.6731 -75.2883 14.6602 -73.6239 -19.3919 -36.2712 18.8599 -38.5644 3.9649 TIMING: 4297200 CPU: 12914.2, 0.00296407/step Wall: 12914.2, 0.00296407/step, 0.578652 hours remaining, 208.941406 MB of memory in use. ENERGY: 4297200 779.9251 2057.5923 1927.9030 109.0114 -206892.3187 17898.3235 0.0000 0.0000 34252.4468 -149867.1166 299.1351 -184119.5634 -149762.2421 297.9643 -15.7852 19.8464 556536.8591 11.1428 11.0820 PRESSURE: 4297400 -131.351 -44.6332 17.9637 -44.6334 27.9368 -95.9757 17.9647 -95.9759 -217.908 GPRESSURE: 4297400 -57.0856 -106.809 74.4762 -32.3219 35.0827 -65.5514 -28.5157 -97.5774 -207.89 PRESSAVG: 4297400 25.1199 2.47752 87.2155 2.47754 -14.8025 13.1161 87.2155 13.1163 -44.1636 GPRESSAVG: 4297400 25.5075 1.10703 87.5691 4.17712 -14.2344 13.2729 86.8672 13.0294 -45.0376 TIMING: 4297400 CPU: 12914.8, 0.00293204/step Wall: 12914.8, 0.00293204/step, 0.572236 hours remaining, 208.941406 MB of memory in use. ENERGY: 4297400 739.7696 2093.7577 1930.4290 106.3298 -206778.9259 17841.9991 0.0000 0.0000 34246.2235 -149820.4171 299.0808 -184066.6406 -149735.4639 297.7169 -107.1074 -76.6311 557680.8437 -11.2821 -11.2548 PRESSURE: 4297600 -85.0292 161.594 91.9129 161.592 -149.143 -62.8293 91.9127 -62.8294 -22.9889 GPRESSURE: 4297600 -54.7655 148.439 66.0444 194.712 -149.797 -48.7638 88.9102 -36.76 52.4161 PRESSAVG: 4297600 -19.7045 0.406634 0.375752 0.406656 56.7485 -34.6719 0.375726 -34.6721 -63.2041 GPRESSAVG: 4297600 -19.5483 -0.251059 0.19387 -0.177177 56.9785 -33.9174 0.56214 -36.3575 -63.5387 TIMING: 4297600 CPU: 12915.4, 0.0029359/step Wall: 12915.4, 0.0029359/step, 0.572827 hours remaining, 208.941406 MB of memory in use. ENERGY: 4297600 759.6734 2064.9664 1922.3035 107.9842 -206552.8177 17794.1618 0.0000 0.0000 34145.1572 -149758.5712 298.1982 -183903.7284 -149660.8208 297.9378 -85.7203 -50.7155 556687.9502 -8.7200 -8.7028 PRESSURE: 4297800 -124.092 162.336 54.8577 162.337 -158.123 89.5965 54.8582 89.596 -131.615 GPRESSURE: 4297800 -68.4253 103.009 107.161 146.912 -131.779 151.307 -1.00852 70.6294 -130.74 PRESSAVG: 4297800 69.5345 91.6423 26.8372 91.6422 5.12486 -17.1717 26.8373 -17.1717 -63.7067 GPRESSAVG: 4297800 70.6772 92.8996 28.9686 91.9938 3.74711 -17.6065 24.2168 -16.1894 -63.7364 TIMING: 4297800 CPU: 12916, 0.00295081/step Wall: 12916, 0.00295081/step, 0.575572 hours remaining, 208.941406 MB of memory in use. ENERGY: 4297800 740.6514 2053.9416 1950.5310 129.2050 -206262.1923 17688.1189 0.0000 0.0000 34014.6985 -149685.0459 297.0588 -183699.7444 -149586.9336 297.5376 -137.9432 -110.3149 557121.3414 3.6509 3.5626 PRESSURE: 4298000 -217.137 -60.8016 218.886 -60.8015 33.7751 37.097 218.886 37.095 -72.3144 GPRESSURE: 4298000 -158.479 26.9774 257.516 -148.138 64.1213 9.06205 222.774 39.5244 -69.8189 PRESSAVG: 4298000 -3.36008 -3.78799 58.6208 -3.78807 72.5623 -14.6278 58.6207 -14.628 -44.6385 GPRESSAVG: 4298000 -3.67208 -4.88056 58.1403 -5.21169 73.8457 -14.9873 60.2927 -14.5247 -45.4912 TIMING: 4298000 CPU: 12916.6, 0.00295839/step Wall: 12916.6, 0.00295839/step, 0.576886 hours remaining, 209.144531 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: 4298000 712.7381 2014.0836 1945.3500 132.7596 -206215.9123 17657.5780 0.0000 0.0000 34098.9037 -149654.4993 297.7942 -183753.4030 -149560.3244 296.9678 -85.2255 -54.7257 557662.0610 8.1879 8.2274 PRESSURE: 4298200 -225.613 -82.9569 7.12682 -82.9583 154.068 -59.3566 7.12784 -59.356 -136.16 GPRESSURE: 4298200 -167.746 -44.5091 53.308 -173.762 196.206 21.8883 -10.0079 -137.258 -144.916 PRESSAVG: 4298200 -18.3056 -1.17751 84.3086 -1.17746 33.1208 10.192 84.3086 10.192 -27.9418 GPRESSAVG: 4298200 -17.4059 0.909323 83.1979 -1.72276 31.9822 9.16726 86.3339 12.3906 -27.5116 TIMING: 4298200 CPU: 12917.2, 0.00298826/step Wall: 12917.2, 0.00298826/step, 0.582544 hours remaining, 209.144531 MB of memory in use. ENERGY: 4298200 767.5250 2087.6123 1926.8873 98.3646 -206296.2125 17759.2960 0.0000 0.0000 34015.8065 -149640.7208 297.0685 -183656.5273 -149539.8884 298.5020 -69.2350 -38.8187 558383.4885 -4.3755 -4.3118 PRESSURE: 4298400 208.187 -31.8286 82.9809 -31.8281 -77.4939 6.89176 82.9809 6.89095 240.609 GPRESSURE: 4298400 191.063 -62.255 67.2672 -28.9532 0.114504 13.6924 39.0579 84.4874 272.635 PRESSAVG: 4298400 -5.15188 5.60198 -10.1496 5.60208 2.03473 19.7356 -10.1496 19.7357 3.15493 GPRESSAVG: 4298400 -6.7461 4.58248 -9.97976 6.09304 2.60859 18.8612 -12.862 20.4641 4.02491 TIMING: 4298400 CPU: 12917.7, 0.00297853/step Wall: 12917.7, 0.00297853/step, 0.580482 hours remaining, 209.144531 MB of memory in use. ENERGY: 4298400 733.2784 2097.3985 1932.2552 103.4924 -206654.7793 18153.7603 0.0000 0.0000 34307.9232 -149326.6713 299.6196 -183634.5945 -149230.8943 298.1310 123.7674 154.6042 557360.9967 0.0126 -0.0375 PRESSURE: 4298600 -159.276 91.0631 -23.0781 91.0628 47.9528 99.2413 -23.0779 99.2408 -37.053 GPRESSURE: 4298600 -127.654 103.325 -0.656817 84.9374 66.6314 62.2544 -118.406 158.629 16.2913 PRESSAVG: 4298600 -27.6357 42.2202 9.022 42.2202 34.9242 -59.0237 9.02207 -59.0237 1.37018 GPRESSAVG: 4298600 -29.1184 39.8227 8.25699 42.7932 35.6993 -59.6176 9.85635 -59.1603 2.05049 TIMING: 4298600 CPU: 12918.3, 0.00299182/step Wall: 12918.3, 0.00299182/step, 0.582906 hours remaining, 209.144531 MB of memory in use. ENERGY: 4298600 762.1596 2025.7060 1956.6709 112.4880 -206500.1898 17951.2639 0.0000 0.0000 34372.9731 -149318.9284 300.1877 -183691.9014 -149222.8906 298.9109 -49.4589 -14.9104 558118.2738 2.8862 2.8771 PRESSURE: 4298800 -111.889 -66.8888 -104.704 -66.8885 330.745 -29.1259 -104.704 -29.1263 -15.0788 GPRESSURE: 4298800 -90.4947 -57.7797 -117.729 -133.172 351.82 -78.7501 -155.303 3.95426 43.3006 PRESSAVG: 4298800 -59.8106 -51.0159 31.1184 -51.016 23.047 -13.5234 31.1184 -13.5234 42.0267 GPRESSAVG: 4298800 -59.0564 -47.1274 31.4335 -52.3731 22.9155 -10.5882 30.8055 -14.8079 40.6176 TIMING: 4298800 CPU: 12918.9, 0.00298468/step Wall: 12918.9, 0.00298468/step, 0.58135 hours remaining, 209.144531 MB of memory in use. ENERGY: 4298800 723.3851 2070.6317 1944.1303 119.7941 -206292.8417 18068.4959 0.0000 0.0000 34085.2638 -149281.1408 297.6751 -183366.4046 -149182.6497 299.0898 67.9259 101.5419 559531.5153 1.7544 1.4923 PRESSURE: 4299000 13.794 14.3451 -120.962 14.3436 -71.5773 -83.4154 -120.962 -83.4158 -400.335 GPRESSURE: 4299000 40.803 -72.3007 -8.03814 15.9186 -90.985 -62.0185 -166.435 -48.9656 -311.363 PRESSAVG: 4299000 28.9218 -30.7644 46.3612 -30.7644 -6.05349 -0.593826 46.3612 -0.593674 -12.0333 GPRESSAVG: 4299000 28.9671 -31.9214 48.9224 -29.2358 -5.64997 -0.934064 47.9791 1.4812 -12.6577 TIMING: 4299000 CPU: 12919.5, 0.0029903/step Wall: 12919.5, 0.0029903/step, 0.582277 hours remaining, 209.144531 MB of memory in use. ENERGY: 4299000 769.9521 2058.9030 1961.9571 110.9455 -206096.4470 17753.3198 0.0000 0.0000 34181.3644 -149260.0051 298.5144 -183441.3696 -149160.7718 299.2396 -152.7059 -120.5152 558007.5311 3.6117 3.5531 PRESSURE: 4299200 106.895 145.677 -60.4607 145.677 -33.8076 80.847 -60.4608 80.8469 -100.05 GPRESSURE: 4299200 119.203 200.472 -110.034 143.234 10.0464 71.0961 -29.3026 111.29 -77.8561 PRESSAVG: 4299200 69.7177 -8.58073 6.30425 -8.5808 -45.5107 -1.18741 6.30427 -1.18744 -43.57 GPRESSAVG: 4299200 69.862 -10.6949 2.96913 -8.97077 -45.7866 0.325825 6.81995 -2.8126 -42.5499 TIMING: 4299200 CPU: 12920.1, 0.00297584/step Wall: 12920.1, 0.00297584/step, 0.579298 hours remaining, 209.144531 MB of memory in use. ENERGY: 4299200 759.2786 2072.9457 1937.8049 101.6755 -206563.5294 18036.0700 0.0000 0.0000 34300.8296 -149354.9251 299.5577 -183655.7547 -149262.9820 298.9555 -8.9875 17.1312 557952.3721 -6.4543 -6.1582 PRESSURE: 4299400 92.1086 29.0179 -133.352 29.0177 97.1422 204.149 -133.351 204.148 311.352 GPRESSURE: 4299400 101.577 -23.8882 -29.0894 26.245 147.825 224.003 -171.133 210.693 350.888 PRESSAVG: 4299400 84.1524 9.29811 -15.2675 9.29811 -54.929 -12.5471 -15.2675 -12.5472 15.1581 GPRESSAVG: 4299400 84.5203 8.6315 -12.7466 10.3327 -55.9826 -13.254 -17.4569 -10.8819 15.8943 TIMING: 4299400 CPU: 12920.7, 0.00299501/step Wall: 12920.7, 0.00299501/step, 0.582863 hours remaining, 209.144531 MB of memory in use. ENERGY: 4299400 716.0677 2087.7449 1980.7987 120.7439 -206730.6698 18281.6632 0.0000 0.0000 34310.1810 -149233.4704 299.6393 -183543.6515 -149133.5910 299.4885 166.8677 200.0966 557795.4836 14.7938 14.8107 PRESSURE: 4299600 44.8749 37.7348 65.7323 37.7354 -23.5146 80.2297 65.7318 80.2281 -309.517 GPRESSURE: 4299600 60.3912 66.1599 40.8221 66.6321 12.2341 24.8597 34.3085 177.165 -270.684 PRESSAVG: 4299600 57.5307 73.4933 -41.936 73.4934 -10.3965 27.8398 -41.936 27.8399 -37.7729 GPRESSAVG: 4299600 58.0343 75.2564 -45.6497 72.5244 -10.5837 26.9343 -41.9956 27.0632 -38.4929 TIMING: 4299600 CPU: 12921.3, 0.00297757/step Wall: 12921.3, 0.00297757/step, 0.579302 hours remaining, 209.144531 MB of memory in use. ENERGY: 4299600 724.1450 2119.5601 1947.3935 113.0313 -206200.3862 17817.2235 0.0000 0.0000 34302.1097 -149176.9231 299.5689 -183479.0328 -149078.6051 299.4416 -96.0524 -66.0195 558599.2123 3.1204 2.9859 PRESSURE: 4299800 -32.3127 53.0879 -141.378 53.0883 -158.077 96.0337 -141.378 96.034 -2.09605 GPRESSURE: 4299800 13.0924 83.9709 -179.369 -20.01 -136.088 -24.2462 -99.1671 183.64 0.622545 PRESSAVG: 4299800 6.53362 52.2721 2.58855 52.2721 1.13758 29.1082 2.58851 29.1082 -5.23381 GPRESSAVG: 4299800 5.58572 51.2596 2.81748 52.0978 0.871188 27.677 3.89941 27.9572 -4.25849 TIMING: 4299800 CPU: 12921.9, 0.00298918/step Wall: 12921.9, 0.00298918/step, 0.581396 hours remaining, 209.144531 MB of memory in use. ENERGY: 4299800 755.6736 2111.2568 1936.8595 110.6600 -206072.8980 17545.9165 0.0000 0.0000 34473.6396 -149138.8919 301.0669 -183612.5314 -149048.5553 300.1355 -64.1621 -40.7910 558774.4038 0.8125 0.7328 PRESSURE: 4300000 -124.026 95.9915 13.9888 95.9923 -64.9759 -16.3975 13.9887 -16.3958 -168.237 GPRESSURE: 4300000 -68.884 71.0008 111.074 221.863 -64.7986 -33.6384 21.4937 22.959 -119.385 PRESSAVG: 4300000 -13.3406 41.61 1.57207 41.61 -21.5258 -1.40979 1.57203 -1.40973 26.4146 GPRESSAVG: 4300000 -12.7678 43.6553 1.33975 42.2302 -20.2253 -0.494702 1.00649 -0.882269 24.6584 TIMING: 4300000 CPU: 12922.5, 0.00297471/step Wall: 12922.5, 0.00297471/step, 0.578416 hours remaining, 209.144531 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: 4300000 747.1983 2087.5812 1946.0762 122.6727 -205980.5140 17647.0903 0.0000 0.0000 34254.9246 -149174.9706 299.1568 -183429.8952 -149071.4309 299.2925 -119.0796 -84.3559 558712.9251 -2.8172 -2.7782 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4300000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 4300000 WRITING COORDINATES TO RESTART FILE AT STEP 4300000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4300000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4300200 -199.615 11.9458 -135.862 11.9449 -133.426 -98.4198 -135.862 -98.4192 -16.5986 GPRESSURE: 4300200 -198.868 78.1336 -136.916 19.4191 -32.0926 -57.2224 -164.419 -117.181 -24.0076 PRESSAVG: 4300200 5.96394 43.9315 45.9585 43.9315 -76.9884 0.814563 45.9586 0.814565 41.0269 GPRESSAVG: 4300200 5.98468 42.0353 47.4789 43.1419 -77.0284 2.24674 44.4757 0.260486 41.1548 TIMING: 4300200 CPU: 12923.2, 0.00341137/step Wall: 12923.2, 0.00341137/step, 0.663132 hours remaining, 209.269531 MB of memory in use. ENERGY: 4300200 754.2545 2133.5765 1942.5043 113.0882 -206116.3702 17567.3255 0.0000 0.0000 34386.8247 -149218.7964 300.3087 -183605.6211 -149122.1375 299.3269 -116.5466 -84.9894 556254.9339 -9.9992 -9.9630 LDB: ============= START OF LOAD BALANCING ============== 12926.7 LDB: ============== END OF LOAD BALANCING =============== 12926.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12926.7 LDB: ============= START OF LOAD BALANCING ============== 12927 LDB: Largest compute 4802 load 0.025892 is 21.9% of average load 0.118200 LDB: Average compute 0.001734 is 1.5% of average load 0.118200 LDB: TIME 12927 LOAD: AVG 0.1182 MAX 0.207873 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.836 MB LDB: TIME 12927 LOAD: AVG 0.1182 MAX 0.207873 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.039 MB LDB: TIME 12927 LOAD: AVG 0.1182 MAX 0.207873 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.039 MB LDB: ============== END OF LOAD BALANCING =============== 12927 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12927 PRESSURE: 4300400 53.3301 -95.3016 -182.756 -95.3012 -146.603 -125.386 -182.758 -125.385 -208.383 GPRESSURE: 4300400 -4.19405 -132.106 -169.453 -139.12 -63.1207 -151.584 -220.527 -114.134 -135.393 PRESSAVG: 4300400 2.86517 4.31099 -39.8343 4.31106 38.8986 -31.8143 -39.8343 -31.8143 -38.0113 GPRESSAVG: 4300400 2.28278 4.81863 -41.1989 5.16827 38.104 -33.4283 -38.0681 -31.6815 -36.6258 TIMING: 4300400 CPU: 12923.8, 0.00301604/step Wall: 12923.8, 0.00301604/step, 0.586117 hours remaining, 209.328125 MB of memory in use. ENERGY: 4300400 797.9959 2126.5781 1943.4809 107.0707 -206310.7814 17643.7015 0.0000 0.0000 34519.9612 -149171.9930 301.4714 -183691.9542 -149077.1005 299.7322 -100.5519 -67.5693 556645.9565 1.2508 1.2537 PRESSURE: 4300600 -272.627 -248.325 15.9177 -248.325 -197.458 85.9324 15.9188 85.9324 -241.093 GPRESSURE: 4300600 -247.362 -230.626 -38.9924 -203.912 -182.49 50.503 -53.3863 100.984 -185.182 PRESSAVG: 4300600 -11.0457 -35.2021 -50.006 -35.2021 13.1208 -31.4591 -50.006 -31.4591 -0.0271634 GPRESSAVG: 4300600 -8.74392 -35.6086 -49.0013 -36.6289 13.6344 -33.052 -50.3396 -30.7653 -2.58721 TIMING: 4300600 CPU: 12924.4, 0.00295044/step Wall: 12924.4, 0.00295044/step, 0.573205 hours remaining, 209.785156 MB of memory in use. ENERGY: 4300600 778.1227 2100.5562 1964.3149 117.6713 -206006.6496 17366.0428 0.0000 0.0000 34511.6390 -149168.3028 301.3987 -183679.9417 -149074.7477 300.0233 -237.0594 -205.0113 557214.5640 0.6826 0.7678 PRESSURE: 4300800 58.931 41.8576 -17.2612 41.8587 -102.047 -79.0575 -17.2611 -79.0577 -20.0574 GPRESSURE: 4300800 92.0971 57.781 -27.0698 -22.6906 -26.1489 -145.967 -75.3493 -13.0429 -48.0473 PRESSAVG: 4300800 -33.4056 -36.038 -34.0248 -36.038 49.9298 -14.7735 -34.0247 -14.7736 26.221 GPRESSAVG: 4300800 -34.5145 -36.4139 -34.5789 -34.4719 51.1273 -13.972 -33.9721 -16.235 26.6493 TIMING: 4300800 CPU: 12925, 0.00294763/step Wall: 12925, 0.00294763/step, 0.572495 hours remaining, 209.785156 MB of memory in use. ENERGY: 4300800 745.9880 2108.0467 1943.8107 117.2842 -206474.8515 17867.8714 0.0000 0.0000 34523.2175 -149168.6329 301.4998 -183691.8504 -149071.4894 300.4444 -21.0576 5.9670 556243.4358 14.2484 14.4207 PRESSURE: 4301000 -139.831 34.2307 -7.0423 34.2302 296.114 51.9393 -7.04162 51.94 21.1192 GPRESSURE: 4301000 -88.2908 22.764 -11.868 33.8024 345.142 28.9805 -29.0604 56.4088 17.965 PRESSAVG: 4301000 -24.4923 -68.0088 -36.1147 -68.0088 22.4376 -48.7482 -36.1147 -48.7482 -15.0683 GPRESSAVG: 4301000 -24.6685 -66.635 -35.4579 -71.6681 22.0639 -49.5371 -37.0021 -47.6089 -15.169 TIMING: 4301000 CPU: 12925.6, 0.00295946/step Wall: 12925.6, 0.00295946/step, 0.574629 hours remaining, 209.785156 MB of memory in use. ENERGY: 4301000 729.6623 2120.4561 1952.6908 109.1872 -206232.3314 17919.8772 0.0000 0.0000 34108.6878 -149291.7700 297.8797 -183400.4578 -149196.0414 299.5421 59.1341 91.6055 556843.7468 -5.7077 -5.9245 PRESSURE: 4301200 137.036 38.4327 91.9047 38.4336 92.6079 -28.688 91.9057 -28.6879 -144.963 GPRESSURE: 4301200 176.638 19.1815 166.55 37.778 103.595 -37.0796 55.5566 -17.6263 -94.8396 PRESSAVG: 4301200 -1.37754 27.0569 -34.7727 27.0569 38.0605 0.129424 -34.7726 0.129344 -70.8519 GPRESSAVG: 4301200 -1.90295 26.1195 -35.3915 30.6983 38.3877 2.62162 -33.0845 0.0393187 -70.9603 TIMING: 4301200 CPU: 12926.2, 0.00294773/step Wall: 12926.2, 0.00294773/step, 0.572187 hours remaining, 209.785156 MB of memory in use. ENERGY: 4301200 741.4095 2087.3926 1930.0823 120.5903 -206390.5459 17894.1978 0.0000 0.0000 34230.2821 -149386.5912 298.9416 -183616.8733 -149292.1582 299.2736 28.2268 61.7980 558267.4595 -11.3897 -11.4918 PRESSURE: 4301400 -95.6931 22.2786 -135.667 22.2771 -140.508 -56.6217 -135.668 -56.6216 64.4959 GPRESSURE: 4301400 -68.0929 68.5902 -90.0715 -14.654 -113.747 34.1845 -188.612 -126.236 93.57 PRESSAVG: 4301400 1.82338 -28.0284 3.85798 -28.0286 -2.19635 -30.8343 3.85783 -30.8342 35.1669 GPRESSAVG: 4301400 2.22685 -27.0571 4.18753 -29.0655 -3.27208 -31.6596 2.22589 -29.9927 35.5656 TIMING: 4301400 CPU: 12926.8, 0.00294641/step Wall: 12926.8, 0.00294641/step, 0.571767 hours remaining, 209.785156 MB of memory in use. ENERGY: 4301400 730.4564 2048.8470 1964.1266 99.6560 -206102.8937 17643.0526 0.0000 0.0000 34141.1925 -149475.5626 298.1635 -183616.7551 -149377.7871 298.5577 -57.2350 -29.4233 558205.1647 11.5980 11.5068 PRESSURE: 4301600 -119.409 228.294 29.0385 228.294 -140.294 68.0981 29.0392 68.0967 -27.875 GPRESSURE: 4301600 -102.781 268.875 17.6709 129.327 -133.848 53.7493 44.4471 69.6153 31.3159 PRESSAVG: 4301600 -22.7999 14.1385 -7.58428 14.1384 40.4119 -3.27529 -7.58424 -3.2752 6.60961 GPRESSAVG: 4301600 -23.8927 14.3912 -6.06508 14.3234 42.1261 -3.85873 -8.11903 -4.76897 6.23411 TIMING: 4301600 CPU: 12927.3, 0.00293432/step Wall: 12927.3, 0.00293432/step, 0.569258 hours remaining, 209.785156 MB of memory in use. ENERGY: 4301600 767.8971 2076.2252 1959.8501 100.4782 -206048.0305 17661.3308 0.0000 0.0000 34135.8994 -149346.3496 298.1173 -183482.2491 -149250.3699 299.1858 -95.8593 -68.4375 559199.0151 8.0739 8.1558 PRESSURE: 4301800 -58.8945 11.0284 -3.24824 11.0288 174.799 -134.268 -3.24983 -134.269 -24.7874 GPRESSURE: 4301800 -52.6403 -4.56456 64.7981 15.5065 202.465 -131.028 -19.012 -119.004 23.8153 PRESSAVG: 4301800 -4.92832 35.5022 -19.7788 35.5022 -50.3142 -45.3474 -19.7789 -45.3473 58.6293 GPRESSAVG: 4301800 -4.97802 34.9088 -20.0236 34.1099 -52.6694 -44.8576 -18.6626 -44.9084 60.8389 TIMING: 4301800 CPU: 12927.9, 0.00295426/step Wall: 12927.9, 0.00295426/step, 0.572963 hours remaining, 209.785156 MB of memory in use. ENERGY: 4301800 732.7756 2074.3353 1944.9705 111.0718 -206429.1368 17958.0126 0.0000 0.0000 34322.1409 -149285.8301 299.7438 -183607.9710 -149192.4828 298.8428 30.3723 57.8799 558664.7978 1.1289 1.0638 PRESSURE: 4302000 -236.317 -130.061 36.9652 -130.061 -137.37 -36.7643 36.9663 -36.7647 -15.43 GPRESSURE: 4302000 -181.183 -168.461 53.3558 -96.3806 -120.67 -51.569 12.2096 -71.7427 9.9016 PRESSAVG: 4302000 -56.9373 3.05616 -24.1281 3.05603 50.3457 -11.6624 -24.1281 -11.6625 10.8863 GPRESSAVG: 4302000 -56.9646 1.05596 -24.2732 4.16786 51.9481 -12.5991 -21.0005 -11.6043 9.04982 TIMING: 4302000 CPU: 12928.5, 0.00296657/step Wall: 12928.5, 0.00296657/step, 0.575185 hours remaining, 209.785156 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: 4302000 744.1894 2098.0921 1961.2481 119.0497 -206404.8153 17798.1412 0.0000 0.0000 34227.0468 -149457.0482 298.9133 -183684.0950 -149358.5244 298.9545 -129.7057 -97.3170 556680.3077 1.4316 1.3444 PRESSURE: 4302200 252.99 -126.422 -89.4682 -126.422 -30.0632 -109.584 -89.4679 -109.585 189.245 GPRESSURE: 4302200 312.961 -140.907 -78.2353 -70.5739 28.5201 -153.194 -69.4662 -121.276 166.843 PRESSAVG: 4302200 42.163 -42.7504 -2.88874 -42.7504 -99.1824 22.5977 -2.88871 22.5978 54.4139 GPRESSAVG: 4302200 42.2004 -40.7623 -2.91082 -42.8929 -99.5178 22.543 -3.97647 20.2869 54.6342 TIMING: 4302200 CPU: 12929.1, 0.00294917/step Wall: 12929.1, 0.00294917/step, 0.571648 hours remaining, 209.851562 MB of memory in use. ENERGY: 4302200 741.0866 2115.1788 1947.3182 101.2480 -206786.6187 18143.2811 0.0000 0.0000 34267.7442 -149470.7619 299.2687 -183738.5060 -149379.6242 298.9837 137.3906 169.4416 556969.2257 -0.8685 -0.8944 PRESSURE: 4302400 153.745 -27.1682 -7.00169 -27.1671 -132.856 -185.28 -7.00239 -185.28 17.2508 GPRESSURE: 4302400 184.011 0.314647 -41.4963 -152.844 -61.1084 -217.735 -62.3039 -221.323 18.8834 PRESSAVG: 4302400 76.3174 -87.3467 -15.287 -87.3467 -65.8554 -29.6793 -15.287 -29.6794 -5.76184 GPRESSAVG: 4302400 76.7519 -88.5157 -16.446 -87.2336 -66.1244 -28.4726 -16.2448 -28.6454 -6.11371 TIMING: 4302400 CPU: 12929.7, 0.00293885/step Wall: 12929.7, 0.00293885/step, 0.569484 hours remaining, 209.851562 MB of memory in use. ENERGY: 4302400 730.9077 2126.6468 1963.4919 99.8176 -206490.1042 17881.4394 0.0000 0.0000 34264.4178 -149423.3830 299.2397 -183687.8008 -149331.7008 298.6102 12.7131 47.2621 556956.1691 1.5667 1.5046 PRESSURE: 4302600 -94.0514 -2.32416 -103.393 -2.32459 -198.283 63.1571 -103.393 63.1561 -76.1302 GPRESSURE: 4302600 -108.8 28.9407 -96.4097 0.577713 -156.141 6.78348 -104.089 41.5849 -12.4251 PRESSAVG: 4302600 26.9586 13.1341 -31.1784 13.1341 17.8441 -42.5083 -31.1784 -42.5084 -78.1421 GPRESSAVG: 4302600 28.2086 14.45 -31.3783 13.4289 16.7342 -42.7592 -32.1477 -43.219 -78.4501 TIMING: 4302600 CPU: 12930.3, 0.00293744/step Wall: 12930.3, 0.00293744/step, 0.569048 hours remaining, 209.851562 MB of memory in use. ENERGY: 4302600 785.1941 2063.2581 1935.1578 119.7064 -206355.4985 17681.9764 0.0000 0.0000 34304.4837 -149465.7219 299.5896 -183770.2056 -149367.5860 298.3506 -122.8216 -92.4552 557202.1155 -11.1131 -11.1691 PRESSURE: 4302800 -196.165 17.4094 50.5611 17.4096 94.6663 -84.7013 50.5608 -84.7018 10.7896 GPRESSURE: 4302800 -127.224 -6.66233 46.7301 15.6247 102.84 -127.262 49.7761 -70.1169 26.8435 PRESSAVG: 4302800 63.1978 -25.4436 8.36198 -25.4436 -8.82555 -50.6855 8.36217 -50.6854 -55.4246 GPRESSAVG: 4302800 62.7578 -26.1858 8.39327 -27.3132 -7.65936 -49.8071 9.74989 -50.8184 -56.1947 TIMING: 4302800 CPU: 12930.9, 0.0029199/step Wall: 12930.9, 0.0029199/step, 0.565487 hours remaining, 209.851562 MB of memory in use. ENERGY: 4302800 753.9023 2009.5891 1929.0184 111.3353 -206226.0930 17796.5871 0.0000 0.0000 34042.4100 -149583.2509 297.3008 -183625.6609 -149489.0944 298.5530 -30.2362 0.8198 557096.5780 -0.3508 -0.3654 PRESSURE: 4303000 13.7473 -83.3969 42.9403 -83.3976 -23.5122 12.735 42.9419 12.7348 -266.04 GPRESSURE: 4303000 9.16408 -163.244 68.7061 -118.395 -21.7437 -39.8545 31.5449 -18.1468 -182.652 PRESSAVG: 4303000 1.88841 -22.6597 3.39804 -22.6597 30.6555 1.02828 3.39802 1.02839 1.30483 GPRESSAVG: 4303000 1.88537 -22.0486 4.91886 -21.8273 30.4297 -0.532382 2.76544 2.69582 2.14961 TIMING: 4303000 CPU: 12931.5, 0.00295824/step Wall: 12931.5, 0.00295824/step, 0.572748 hours remaining, 209.851562 MB of memory in use. ENERGY: 4303000 713.4646 2037.0096 1937.8088 105.3719 -206236.4241 17660.6204 0.0000 0.0000 34233.6082 -149548.5406 298.9706 -183782.1488 -149450.4924 298.8409 -91.9351 -65.0771 557946.1714 11.2829 11.4882 PRESSURE: 4303200 120.608 -9.71985 32.5692 -9.71936 70.7989 -126.222 32.5693 -126.224 479.071 GPRESSURE: 4303200 125.353 -12.1587 76.7999 35.9178 127.332 -120.49 -11.2129 -91.2187 514.319 PRESSAVG: 4303200 81.2696 -49.1939 14.077 -49.1939 -90.2714 7.16399 14.077 7.16398 13.8586 GPRESSAVG: 4303200 81.9048 -48.2455 13.3315 -48.7145 -89.964 8.18752 13.9757 6.75941 13.7238 TIMING: 4303200 CPU: 12932.1, 0.00296211/step Wall: 12932.1, 0.00296211/step, 0.573332 hours remaining, 209.851562 MB of memory in use. ENERGY: 4303200 723.3765 2055.1501 1939.5773 98.1203 -206482.3220 18100.4695 0.0000 0.0000 33966.6253 -149599.0031 296.6390 -183565.6284 -149504.0607 298.5755 223.4925 255.6677 557965.9797 1.6189 1.8882 PRESSURE: 4303400 105.587 -6.50733 32.6515 -6.5072 74.9431 88.6193 32.6516 88.6195 205.388 GPRESSURE: 4303400 146.326 3.10212 73.3725 7.95893 163.175 81.9766 15.0685 81.9906 167.778 PRESSAVG: 4303400 14.7339 -38.9863 -44.3998 -38.9862 -10.4013 1.84423 -44.3997 1.84427 31.1685 GPRESSAVG: 4303400 15.2456 -38.9335 -46.5007 -39.0319 -9.45978 0.0436542 -43.9826 3.40391 30.0798 TIMING: 4303400 CPU: 12932.7, 0.0029488/step Wall: 12932.7, 0.0029488/step, 0.570592 hours remaining, 209.851562 MB of memory in use. ENERGY: 4303400 741.6927 2019.8971 1953.2391 115.8802 -206328.3331 17879.1032 0.0000 0.0000 33990.2428 -149628.2782 296.8452 -183618.5209 -149534.5382 298.0301 128.6393 159.0933 556958.7560 11.8337 11.9552 PRESSURE: 4303600 -283.02 -96.381 106.828 -96.3811 -19.6096 8.9376 106.829 8.93872 -226.965 GPRESSURE: 4303600 -250.427 -95.7819 108.154 -73.6683 5.75129 88.8915 95.1638 -68.6679 -190.634 PRESSAVG: 4303600 15.6513 -57.0667 6.92836 -57.0667 60.3699 26.8702 6.92834 26.8701 -20.7323 GPRESSAVG: 4303600 15.3394 -56.2389 12.3252 -58.2354 59.9328 29.8622 3.79714 23.478 -19.4118 TIMING: 4303600 CPU: 12933.2, 0.00297311/step Wall: 12933.2, 0.00297311/step, 0.575131 hours remaining, 209.851562 MB of memory in use. ENERGY: 4303600 732.0261 2041.4623 1957.7379 106.5289 -206216.0098 17570.1218 0.0000 0.0000 34193.0241 -149615.1087 298.6162 -183808.1329 -149518.0485 297.8472 -176.5312 -145.1033 557536.9726 18.4297 18.6201 PRESSURE: 4303800 40.4715 -68.8898 -149.48 -68.8891 -74.9074 56.8757 -149.481 56.8757 133.656 GPRESSURE: 4303800 100.226 -140.395 -184.159 -75.1081 -37.5647 -0.787577 -123.54 75.0683 128.307 PRESSAVG: 4303800 -17.9275 -39.2514 21.729 -39.2514 -34.2756 76.3394 21.729 76.3394 23.0371 GPRESSAVG: 4303800 -17.2064 -40.9524 17.3241 -38.622 -34.2315 75.9707 24.8972 77.2442 22.4097 TIMING: 4303800 CPU: 12933.8, 0.00296089/step Wall: 12933.8, 0.00296089/step, 0.572603 hours remaining, 209.851562 MB of memory in use. ENERGY: 4303800 752.6885 2097.0598 1939.7144 125.9390 -206641.9811 17958.6780 0.0000 0.0000 34101.2533 -149666.6481 297.8147 -183767.9014 -149568.8877 297.8807 33.0734 63.6561 557991.4046 -9.7220 -9.6761 PRESSURE: 4304000 -314.001 67.1312 -80.472 67.1317 216.7 -27.4443 -80.4727 -27.4447 91.9631 GPRESSURE: 4304000 -216.087 111.751 -54.8904 -15.8305 252.428 -2.05192 -101.095 -66.376 52.8648 PRESSAVG: 4304000 -27.8001 66.5559 12.9321 66.556 10.0945 97.9922 12.9321 97.9922 26.7211 GPRESSAVG: 4304000 -28.7515 66.6242 13.0732 65.342 9.92244 97.1018 9.2382 98.0644 27.2376 TIMING: 4304000 CPU: 12934.4, 0.00297354/step Wall: 12934.4, 0.00297354/step, 0.574885 hours remaining, 209.851562 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: 4304000 748.1245 2056.8282 1945.5257 114.8373 -206683.8969 18058.3072 0.0000 0.0000 34308.1592 -149452.1149 299.6217 -183760.2740 -149357.9732 298.0799 -1.7792 29.7351 557569.1317 3.0052 2.8028 PRESSURE: 4304200 -112.681 -62.1052 -27.417 -62.1044 -15.091 -81.1672 -27.4168 -81.1661 299.617 GPRESSURE: 4304200 -104.756 -84.6203 56.8069 -72.4892 14.5233 -24.923 -86.0907 -66.478 347.922 PRESSAVG: 4304200 -36.0397 30.1993 16.3581 30.1993 3.99301 49.0809 16.3581 49.0809 46.9488 GPRESSAVG: 4304200 -36.1681 28.7981 17.5375 32.2483 2.77102 49.6563 18.3426 50.1665 47.8557 TIMING: 4304200 CPU: 12935, 0.00296979/step Wall: 12935, 0.00296979/step, 0.573994 hours remaining, 209.851562 MB of memory in use. ENERGY: 4304200 747.2754 2078.6678 1950.1849 114.2665 -206681.5458 18012.2798 0.0000 0.0000 34373.9645 -149404.9068 300.1964 -183778.8713 -149303.9098 298.9512 57.2817 85.8966 557161.6114 4.9674 4.8195 LDB: ============= START OF LOAD BALANCING ============== 12938.5 LDB: ============== END OF LOAD BALANCING =============== 12938.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12938.5 LDB: ============= START OF LOAD BALANCING ============== 12938.8 LDB: Largest compute 4802 load 0.027234 is 23.0% of average load 0.118184 LDB: Average compute 0.001735 is 1.5% of average load 0.118184 LDB: TIME 12938.8 LOAD: AVG 0.118184 MAX 0.207956 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.469 MB LDB: TIME 12938.8 LOAD: AVG 0.118184 MAX 0.207956 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.672 MB LDB: TIME 12938.8 LOAD: AVG 0.118184 MAX 0.207956 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.672 MB LDB: ============== END OF LOAD BALANCING =============== 12938.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12938.9 PRESSURE: 4304400 145.143 -13.3148 101.418 -13.3155 -53.6138 -129.704 101.418 -129.704 -97.248 GPRESSURE: 4304400 149.126 -115.845 107.76 -0.797029 14.5056 -119.271 181.476 -68.0871 -64.4912 PRESSAVG: 4304400 -4.05911 17.7937 -26.8854 17.7937 -32.9763 -4.13566 -26.8854 -4.13562 46.8363 GPRESSAVG: 4304400 -4.61116 16.3067 -26.7206 18.6205 -31.5105 -4.89842 -26.8191 -3.08668 46.3796 TIMING: 4304400 CPU: 12935.6, 0.00303118/step Wall: 12935.6, 0.00303118/step, 0.585692 hours remaining, 208.371094 MB of memory in use. ENERGY: 4304400 745.5712 2086.5412 1979.2987 105.0841 -206446.7066 17803.6889 0.0000 0.0000 34301.9572 -149424.5654 299.5675 -183726.5226 -149329.8216 298.3326 -1.9063 33.0468 556188.0567 3.2669 3.4193 PRESSURE: 4304600 -77.5368 -128.083 67.2465 -128.085 -180.921 -103.291 67.2461 -103.292 -217.596 GPRESSURE: 4304600 -78.2187 -100.488 8.91076 -111.115 -130.905 -183.145 88.4446 -90.9404 -168.144 PRESSAVG: 4304600 55.2108 -22.5299 -5.49011 -22.53 -16.1165 36.3241 -5.49017 36.3241 1.82591 GPRESSAVG: 4304600 56.8179 -20.4655 -5.05887 -24.0088 -16.7661 37.4234 -6.53409 33.4572 1.12164 TIMING: 4304600 CPU: 12936.2, 0.00296131/step Wall: 12936.2, 0.00296131/step, 0.572027 hours remaining, 208.699219 MB of memory in use. ENERGY: 4304600 727.4935 2038.7675 1958.6441 114.5595 -206313.7684 17683.5473 0.0000 0.0000 34174.8040 -149615.9524 298.4571 -183790.7564 -149521.3545 298.5231 -158.6845 -125.7560 557016.9065 13.6401 13.7245 PRESSURE: 4304800 -79.2648 10.2372 140.58 10.2361 -26.5537 -198.841 140.58 -198.839 -188.607 GPRESSURE: 4304800 -122.926 -71.0038 159.294 -77.0962 76.8861 -154.247 96.9308 -130.167 -155.115 PRESSAVG: 4304800 -51.1002 34.274 10.7307 34.274 -25.5808 -13.8524 10.7307 -13.8525 73.7277 GPRESSAVG: 4304800 -51.078 32.3013 8.43999 34.701 -26.247 -14.026 13.7005 -10.279 74.4642 TIMING: 4304800 CPU: 12936.8, 0.00295858/step Wall: 12936.8, 0.00295858/step, 0.571335 hours remaining, 208.699219 MB of memory in use. ENERGY: 4304800 777.4223 2105.1911 1955.6256 112.2507 -206562.4607 17795.1876 0.0000 0.0000 34075.6472 -149741.1362 297.5911 -183816.7833 -149647.0610 298.4346 -98.1420 -67.0517 556931.5666 -0.9845 -0.9536 PRESSURE: 4305000 98.8107 -35.0779 58.7791 -35.0783 -112.765 -9.48184 58.779 -9.48327 40.0719 GPRESSURE: 4305000 100.473 -83.5058 75.3112 -32.9685 -47.3853 -25.9677 24.5623 14.4293 85.6704 PRESSAVG: 4305000 19.7623 1.13744 44.3809 1.13744 17.3451 -15.2442 44.3809 -15.2442 -35.3455 GPRESSAVG: 4305000 19.4063 2.60063 45.5183 -0.0776997 18.5604 -16.9107 43.6045 -16.2445 -35.8532 TIMING: 4305000 CPU: 12937.4, 0.00296003/step Wall: 12937.4, 0.00296003/step, 0.571451 hours remaining, 208.699219 MB of memory in use. ENERGY: 4305000 739.2131 2102.5472 1981.2399 119.7419 -206563.0220 17817.1122 0.0000 0.0000 34041.5355 -149761.6321 297.2932 -183803.1677 -149666.9774 297.7671 8.7057 46.2529 556566.2467 0.5873 0.7045 PRESSURE: 4305200 29.566 56.0307 -67.7991 56.0322 -162.426 44.073 -67.7979 44.0736 -124.479 GPRESSURE: 4305200 37.1729 81.3802 -48.1917 130.912 -123.927 -28.9342 -80.8731 134.092 -49.1248 PRESSAVG: 4305200 33.3864 7.14757 10.7718 7.14754 63.3981 22.6512 10.7718 22.6511 -85.1519 GPRESSAVG: 4305200 32.9336 8.44254 11.0586 6.85833 62.8599 23.6072 10.3155 21.5489 -84.4528 TIMING: 4305200 CPU: 12938, 0.00294926/step Wall: 12938, 0.00294926/step, 0.569207 hours remaining, 208.699219 MB of memory in use. ENERGY: 4305200 771.3356 2077.5731 1943.4314 105.0374 -206805.2114 17954.7735 0.0000 0.0000 34231.9220 -149721.1386 298.9559 -183953.0606 -149624.1755 297.7869 -85.7797 -45.2928 555934.5799 3.8776 3.7802 PRESSURE: 4305400 20.7086 105.679 -93.8544 105.68 -176.301 91.198 -93.854 91.1977 -287.445 GPRESSURE: 4305400 114.891 75.6915 -115.061 56.8238 -165.282 131.201 -69.8271 139.128 -287.179 PRESSAVG: 4305400 114.342 -4.8089 -22.3406 -4.80893 -29.2057 14.6343 -22.3405 14.6345 -63.8352 GPRESSAVG: 4305400 116.324 -5.65747 -23.3803 -3.92476 -29.6926 14.3985 -21.1747 15.1708 -65.3013 TIMING: 4305400 CPU: 12938.6, 0.00294881/step Wall: 12938.6, 0.00294881/step, 0.568956 hours remaining, 208.699219 MB of memory in use. ENERGY: 4305400 727.6497 2071.8189 1940.1554 114.5029 -206488.7967 17719.3721 0.0000 0.0000 34100.5223 -149814.7755 297.8083 -183915.2978 -149714.6898 297.6087 -147.6794 -112.5236 557076.8610 7.1005 7.1101 PRESSURE: 4305600 -31.4628 -94.574 16.9297 -94.5737 -49.5202 53.6351 16.9306 53.6355 199.207 GPRESSURE: 4305600 3.62047 -153.463 40.4712 -44.97 -65.5909 8.53964 -27.0226 60.5802 274.292 PRESSAVG: 4305600 -69.3115 -25.6734 -35.1851 -25.6735 15.9655 -9.41972 -35.1851 -9.41989 30.2614 GPRESSAVG: 4305600 -70.2059 -24.5232 -33.4809 -26.6901 15.8871 -10.4208 -36.0467 -9.59618 31.3209 TIMING: 4305600 CPU: 12939.2, 0.0029676/step Wall: 12939.2, 0.0029676/step, 0.572417 hours remaining, 208.699219 MB of memory in use. ENERGY: 4305600 743.4867 2109.7779 1939.5410 113.9026 -206969.0526 17973.3798 0.0000 0.0000 34166.1095 -149922.8551 298.3811 -184088.9646 -149824.5581 298.1145 39.4079 70.7737 555539.7004 -7.6949 -7.6660 PRESSURE: 4305800 203.083 -30.0982 170.203 -30.0997 110.482 132.273 170.203 132.272 -42.8601 GPRESSURE: 4305800 284.884 26.5381 158.479 14.268 109.22 82.3211 129.794 72.0145 -29.9106 PRESSAVG: 4305800 24.1528 17.8788 -5.6503 17.8788 4.91266 16.3949 -5.65039 16.3948 -9.72771 GPRESSAVG: 4305800 23.7711 15.1104 -6.49331 20.0412 4.32662 16.1526 -5.09548 16.019 -9.19388 TIMING: 4305800 CPU: 12939.8, 0.00298649/step Wall: 12939.8, 0.00298649/step, 0.575896 hours remaining, 208.699219 MB of memory in use. ENERGY: 4305800 757.4985 2116.6782 1968.4464 121.3922 -206958.7887 18006.4648 0.0000 0.0000 34150.8220 -149837.4866 298.2476 -183988.3086 -149744.4155 298.3312 90.2352 121.3979 555373.1171 6.4459 6.3013 PRESSURE: 4306000 144.89 112.799 -148.66 112.799 -66.7103 -51.9771 -148.661 -51.9785 -115.03 GPRESSURE: 4306000 122.515 209.161 -149.817 81.9658 8.02505 -86.0421 -40.6942 -69.1435 -84.0799 PRESSAVG: 4306000 97.6423 -0.312598 -42.3151 -0.312562 -38.0892 -8.67673 -42.3151 -8.67683 -72.6387 GPRESSAVG: 4306000 96.5658 0.749105 -43.9274 0.481329 -36.5594 -9.55479 -42.6588 -7.94604 -73.3624 TIMING: 4306000 CPU: 12940.4, 0.00296636/step Wall: 12940.4, 0.00296636/step, 0.571848 hours remaining, 208.699219 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: 4306000 749.5308 2123.8912 1971.1317 113.4528 -206579.9689 17748.8660 0.0000 0.0000 34062.9214 -149810.1750 297.4800 -183873.0964 -149714.0159 297.8079 -12.2837 15.4867 555821.2436 -4.3619 -4.4520 PRESSURE: 4306200 -32.0805 -125.61 -18.6613 -125.611 -174.76 -136.566 -18.6612 -136.566 -175.399 GPRESSURE: 4306200 12.2334 -124.049 5.13436 -173.894 -173.266 -130.163 -44.5685 -84.3765 -130.114 PRESSAVG: 4306200 29.5398 -10.1752 -52.6215 -10.1752 -34.9849 -55.1688 -52.6216 -55.1688 3.0864 GPRESSAVG: 4306200 29.4418 -10.1603 -51.6216 -10.7709 -34.8326 -55.7062 -52.5016 -55.9551 3.00533 TIMING: 4306200 CPU: 12941, 0.00295848/step Wall: 12941, 0.00295848/step, 0.570165 hours remaining, 208.699219 MB of memory in use. ENERGY: 4306200 724.2341 2155.8631 1917.0998 107.3489 -206500.8975 17765.7618 0.0000 0.0000 34015.9770 -149814.6128 297.0700 -183830.5898 -149716.0297 298.3085 -127.4130 -97.0486 557437.2094 -0.7862 -0.7952 PRESSURE: 4306400 -75.391 24.6986 -143.615 24.6968 -232.544 -17.7193 -143.615 -17.7202 -284.246 GPRESSURE: 4306400 -59.1508 45.8928 -34.0719 -45.8945 -233.739 -76.4673 -216.708 -49.4663 -186.171 PRESSAVG: 4306400 54.9641 6.63538 -30.7807 6.63531 17.0746 13.8185 -30.7807 13.8185 -36.159 GPRESSAVG: 4306400 55.4899 7.06272 -31.6051 6.66908 16.7504 17.8056 -31.285 11.7475 -36.0565 TIMING: 4306400 CPU: 12941.6, 0.00296035/step Wall: 12941.6, 0.00296035/step, 0.570361 hours remaining, 208.699219 MB of memory in use. ENERGY: 4306400 765.3936 2098.2121 1977.3683 102.1212 -206778.2699 17770.7054 0.0000 0.0000 34226.0395 -149838.4297 298.9045 -184064.4693 -149745.4889 297.9812 -197.3934 -159.6869 557421.0981 11.9599 12.0613 PRESSURE: 4306600 -239.164 -129.134 -121.674 -129.133 -189.513 114.079 -121.674 114.08 -361.862 GPRESSURE: 4306600 -188.909 -194.601 -153.393 -131.295 -155.474 131.132 -124.447 70.1475 -342.671 PRESSAVG: 4306600 61.5452 -58.3554 0.931243 -58.3554 -28.7758 -25.0262 0.931305 -25.0264 -24.9903 GPRESSAVG: 4306600 62.4994 -59.4869 1.91252 -58.2007 -29.47 -26.6177 0.410947 -23.793 -25.2227 TIMING: 4306600 CPU: 12942.2, 0.00300826/step Wall: 12942.2, 0.00300826/step, 0.579424 hours remaining, 208.699219 MB of memory in use. ENERGY: 4306600 744.5338 2066.9031 1959.4862 129.3727 -206503.3438 17620.4070 0.0000 0.0000 34099.7645 -149882.8765 297.8017 -183982.6410 -149790.4198 298.1486 -263.5130 -229.0182 559346.7864 2.5930 2.6023 PRESSURE: 4306800 41.1239 39.3689 124.692 39.3681 170.135 -19.0144 124.693 -19.0155 -207.925 GPRESSURE: 4306800 93.0135 80.8864 161.216 49.0965 184.514 -24.7463 88.6613 -37.3009 -171.269 PRESSAVG: 4306800 38.7996 -16.9461 5.53402 -16.946 -49.6439 -46.1307 5.53394 -46.1307 26.6856 GPRESSAVG: 4306800 38.3077 -17.2471 5.70489 -19.0691 -49.7815 -45.721 6.40788 -45.7639 26.7596 TIMING: 4306800 CPU: 12942.8, 0.00297322/step Wall: 12942.8, 0.00297322/step, 0.57251 hours remaining, 208.699219 MB of memory in use. ENERGY: 4306800 765.8329 2082.4118 1951.6242 112.1817 -206571.5733 17892.2438 0.0000 0.0000 34019.2436 -149748.0352 297.0985 -183767.2788 -149654.4092 298.1592 1.1113 35.4194 555790.9325 5.2804 5.0953 PRESSURE: 4307000 -1.14243 -165.153 58.4254 -165.154 -426.867 -62.8287 58.4252 -62.8276 -179.955 GPRESSURE: 4307000 2.11271 -102.916 37.7146 -277.446 -376.927 -52.346 172.292 -72.2101 -126.038 PRESSAVG: 4307000 15.7421 -21.9966 39.3487 -21.9966 0.786229 54.2963 39.3487 54.2965 -9.49824 GPRESSAVG: 4307000 15.455 -20.6965 37.9968 -20.8622 1.1556 54.918 40.8484 53.5428 -9.40384 TIMING: 4307000 CPU: 12943.3, 0.00294958/step Wall: 12943.3, 0.00294958/step, 0.567795 hours remaining, 208.699219 MB of memory in use. ENERGY: 4307000 758.7241 2088.0061 1939.6539 126.1246 -206643.1158 17851.5772 0.0000 0.0000 34217.6094 -149661.4206 298.8309 -183879.0300 -149560.2880 297.4487 -202.6548 -166.9508 559230.7896 2.3434 2.4023 PRESSURE: 4307200 0.0175509 11.8052 -40.5489 11.8051 -211.427 101.031 -40.5487 101.03 -91.9781 GPRESSURE: 4307200 9.57666 5.62566 83.0914 -4.15283 -250.992 108.072 -98.8193 70.5872 32.2239 PRESSAVG: 4307200 -10.7731 -13.4659 6.52148 -13.4659 9.66259 3.67238 6.5215 3.67235 12.0161 GPRESSAVG: 4307200 -10.934 -13.2119 7.28583 -15.179 9.44049 1.19022 3.6086 4.05282 11.8853 TIMING: 4307200 CPU: 12943.9, 0.00297203/step Wall: 12943.9, 0.00297203/step, 0.571951 hours remaining, 208.699219 MB of memory in use. ENERGY: 4307200 772.0798 2082.1463 1979.1037 115.8145 -206629.5330 17846.9009 0.0000 0.0000 33999.0603 -149834.4275 296.9222 -183833.4878 -149738.9343 297.7953 -101.1292 -69.7304 557849.0216 3.6352 3.4639 PRESSURE: 4307400 -404.207 -232.961 8.84995 -232.961 -269.723 -106.344 8.84931 -106.344 119.428 GPRESSURE: 4307400 -384.034 -269.102 -47.6329 -229.097 -214.591 -15.6124 -34.6821 -32.2046 135.697 PRESSAVG: 4307400 21.9449 -15.0524 0.0211971 -15.0524 -12.6369 21.3943 0.0212585 21.3944 -24.6386 GPRESSAVG: 4307400 22.6026 -14.9895 -0.602365 -13.186 -13.4337 23.5508 2.32447 22.2293 -24.5302 TIMING: 4307400 CPU: 12944.5, 0.00297121/step Wall: 12944.5, 0.00297121/step, 0.571629 hours remaining, 208.699219 MB of memory in use. ENERGY: 4307400 726.9623 2131.9467 1929.0360 122.9719 -206384.5289 17585.8373 0.0000 0.0000 34136.5900 -149751.1846 298.1233 -183887.7747 -149655.8514 297.3054 -184.8340 -154.3095 558271.6958 -5.1102 -5.1204 PRESSURE: 4307600 289.195 -35.7701 165.532 -35.77 30.5605 -53.7587 165.532 -53.7595 144.254 GPRESSURE: 4307600 360.471 -24.1174 197.204 -46.358 90.739 103.06 163.775 -56.4251 108.84 PRESSAVG: 4307600 -23.1951 -10.7636 -28.1454 -10.7636 -50.8667 19.7239 -28.1454 19.724 45.8648 GPRESSAVG: 4307600 -24.7946 -10.1077 -26.8848 -12.0405 -49.8485 19.3355 -28.2878 17.4601 46.4461 TIMING: 4307600 CPU: 12945.1, 0.00296938/step Wall: 12945.1, 0.00296938/step, 0.571111 hours remaining, 208.699219 MB of memory in use. ENERGY: 4307600 754.8324 2068.1059 1959.3495 113.3426 -206627.5587 18017.2494 0.0000 0.0000 34109.4729 -149605.2061 297.8865 -183714.6790 -149515.9340 298.7842 154.6700 186.6834 557464.9044 -9.3990 -9.3990 PRESSURE: 4307800 -135.948 6.82383 127.078 6.82349 -125.204 27.7848 127.078 27.784 78.6224 GPRESSURE: 4307800 -100.466 -15.7523 131.997 -9.01892 -109.073 104.749 78.7733 -65.5155 128.031 PRESSAVG: 4307800 32.8724 54.3345 77.3073 54.3345 -12.0344 -20.706 77.3073 -20.7061 32.8889 GPRESSAVG: 4307800 33.761 53.4363 76.1765 56.5014 -13.7616 -19.1395 74.8452 -20.2755 33.0994 TIMING: 4307800 CPU: 12945.7, 0.00298274/step Wall: 12945.7, 0.00298274/step, 0.573515 hours remaining, 208.699219 MB of memory in use. ENERGY: 4307800 710.3875 2128.6026 1949.5279 123.0829 -206507.0810 17810.8854 0.0000 0.0000 34279.3329 -149505.2618 299.3699 -183784.5947 -149403.6922 298.0837 -60.8431 -27.1696 558616.6299 17.9089 17.6996 PRESSURE: 4308000 217.815 83.4967 15.5832 83.4972 78.008 -198.488 15.5827 -198.489 66.6893 GPRESSURE: 4308000 339.578 65.0531 -9.04296 123.85 68.4542 -190.786 44.2639 -148.459 66.2054 PRESSAVG: 4308000 -25.3641 15.5602 -8.74031 15.5603 -2.29781 -13.231 -8.74032 -13.231 18.1905 GPRESSAVG: 4308000 -26.2832 15.1731 -8.76017 14.3264 -1.13675 -16.0195 -6.43662 -11.5748 17.4407 TIMING: 4308000 CPU: 12946.3, 0.00297802/step Wall: 12946.3, 0.00297802/step, 0.572441 hours remaining, 208.699219 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: 4308000 741.1137 2091.0272 1960.0819 123.6525 -206472.7523 17927.0460 0.0000 0.0000 34144.4642 -149485.3667 298.1921 -183629.8310 -149390.0304 298.4131 120.8376 158.0794 556245.0351 -3.1571 -3.3264 PRESSURE: 4308200 -143.774 56.577 0.160857 56.576 -96.2193 9.92516 0.160993 9.92505 -239.118 GPRESSURE: 4308200 -96.2029 110.508 -48.8131 64.4418 -56.8491 -46.645 75.1239 48.6952 -224.48 PRESSAVG: 4308200 23.2489 67.8704 7.55771 67.8705 24.1241 -63.3156 7.55784 -63.3156 -1.92444 GPRESSAVG: 4308200 23.3973 67.2353 7.89308 67.4938 25.0241 -62.5039 7.98139 -64.4944 -2.57591 TIMING: 4308200 CPU: 12946.9, 0.00297485/step Wall: 12946.9, 0.00297485/step, 0.571667 hours remaining, 208.699219 MB of memory in use. ENERGY: 4308200 771.7458 2156.9585 1919.4997 115.5408 -206036.7963 17423.1216 0.0000 0.0000 34231.8297 -149418.1001 298.9551 -183649.9298 -149320.3352 298.3057 -159.7038 -125.8441 555503.9583 15.1495 15.2818 LDB: ============= START OF LOAD BALANCING ============== 12950.4 LDB: ============== END OF LOAD BALANCING =============== 12950.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12950.4 LDB: ============= START OF LOAD BALANCING ============== 12950.7 LDB: Largest compute 4802 load 0.027845 is 23.6% of average load 0.118162 LDB: Average compute 0.001735 is 1.5% of average load 0.118162 LDB: TIME 12950.7 LOAD: AVG 0.118162 MAX 0.208526 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.816 MB LDB: TIME 12950.7 LOAD: AVG 0.118162 MAX 0.208526 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.816 MB LDB: TIME 12950.7 LOAD: AVG 0.118162 MAX 0.208526 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.816 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12950.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12950.7 PRESSURE: 4308400 48.0242 0.534555 -85.3433 0.535468 33.4016 42.1969 -85.3418 42.195 -55.671 GPRESSURE: 4308400 93.3347 -95.5708 -69.2316 56.4098 96.9559 -5.51972 -99.5614 111.696 -53.6524 PRESSAVG: 4308400 2.19178 -18.3476 -35.8045 -18.3477 -20.8134 15.8226 -35.8046 15.8226 58.6108 GPRESSAVG: 4308400 3.20484 -17.4981 -34.8046 -19.2198 -21.2512 15.4314 -35.8267 16.8695 57.8929 TIMING: 4308400 CPU: 12947.5, 0.00301599/step Wall: 12947.5, 0.00301599/step, 0.579404 hours remaining, 210.109375 MB of memory in use. ENERGY: 4308400 728.1949 2065.4522 1953.3605 115.7078 -206222.8709 17812.6483 0.0000 0.0000 33972.4341 -149575.0732 296.6897 -183547.5073 -149473.1232 299.1060 8.5849 45.5461 556713.7308 13.3297 13.2822 PRESSURE: 4308600 -49.443 -17.4014 159.726 -17.4019 15.0691 65.7631 159.726 65.7632 -257.992 GPRESSURE: 4308600 -38.1703 -9.09607 154.26 -116.501 48.601 97.3831 183.336 61.7634 -208.48 PRESSAVG: 4308600 -14.3762 -10.8277 -3.6017 -10.8277 37.8011 14.6066 -3.60172 14.6065 8.45129 GPRESSAVG: 4308600 -15.0825 -10.3243 -5.55763 -9.5236 37.0149 17.8213 -4.24794 10.8549 9.81 TIMING: 4308600 CPU: 12948.1, 0.00294987/step Wall: 12948.1, 0.00294987/step, 0.566539 hours remaining, 210.476562 MB of memory in use. ENERGY: 4308600 751.6229 2076.7184 1937.0603 110.3605 -205966.5370 17637.8259 0.0000 0.0000 34165.8561 -149287.0931 298.3789 -183452.9491 -149190.8164 298.6943 -97.4554 -66.0166 558194.1961 10.6254 10.5808 PRESSURE: 4308800 12.4443 -71.4654 -48.415 -71.465 -164.468 14.5211 -48.4158 14.5209 247.315 GPRESSURE: 4308800 51.7052 -124.334 -122.43 32.9033 -69.9992 -0.249871 -20.4086 0.732413 213.479 PRESSAVG: 4308800 -56.6082 -78.821 -8.1458 -78.821 11.3357 29.0879 -8.14578 29.0879 77.6728 GPRESSAVG: 4308800 -57.9753 -81.0187 -7.6433 -79.2136 12.4883 23.9014 -8.32866 32.5562 78.0944 TIMING: 4308800 CPU: 12948.7, 0.00295648/step Wall: 12948.7, 0.00295648/step, 0.567645 hours remaining, 210.476562 MB of memory in use. ENERGY: 4308800 747.3986 2074.0040 1947.3008 114.2838 -206330.1233 17904.9568 0.0000 0.0000 34358.9785 -149183.2008 300.0655 -183542.1793 -149089.0824 299.8218 31.7636 65.0616 557865.9406 10.8001 10.8692 PRESSURE: 4309000 47.1793 -88.7501 71.9604 -88.7509 -38.8945 20.933 71.9602 20.9337 -23.0044 GPRESSURE: 4309000 87.2046 -62.762 208.092 -106.315 -4.36468 46.6773 6.34575 21.5227 -1.51185 PRESSAVG: 4309000 -29.374 -30.5671 38.7484 -30.567 -20.9496 -20.8753 38.7483 -20.8753 15.3563 GPRESSAVG: 4309000 -27.8069 -29.3151 40.4447 -31.7681 -22.0411 -17.5026 37.0216 -20.8511 15.3095 TIMING: 4309000 CPU: 12949.3, 0.00297154/step Wall: 12949.3, 0.00297154/step, 0.570371 hours remaining, 210.664062 MB of memory in use. ENERGY: 4309000 747.9878 2043.4237 1969.6605 123.2874 -205850.1630 17716.4658 0.0000 0.0000 34066.6135 -149182.7241 297.5122 -183249.3376 -149086.8337 299.4918 -4.9065 27.1093 556687.5529 -11.6558 -11.5128 PRESSURE: 4309200 362.392 -53.9982 -108.664 -53.998 -191.177 -23.8301 -108.666 -23.8302 19.5196 GPRESSURE: 4309200 377.107 -147.21 -128.519 -22.8782 -157.118 25.851 -196.593 -52.6067 72.1675 PRESSAVG: 4309200 -5.70692 -30.6737 7.79279 -30.6737 -33.5823 11.0209 7.7928 11.0209 41.574 GPRESSAVG: 4309200 -5.8758 -30.5851 6.10627 -30.1419 -32.445 12.0836 10.1629 8.12986 40.8279 TIMING: 4309200 CPU: 12949.9, 0.00298257/step Wall: 12949.9, 0.00298257/step, 0.572322 hours remaining, 210.664062 MB of memory in use. ENERGY: 4309200 743.4066 2077.1615 1978.1565 110.7815 -206310.3774 18018.1817 0.0000 0.0000 34209.7747 -149172.9149 298.7625 -183382.6896 -149078.5602 299.2640 63.5781 97.3855 558402.3023 0.7616 0.8357 PRESSURE: 4309400 5.45564 -43.4252 -85.8772 -43.4257 16.3552 -87.0615 -85.8765 -87.0605 176.886 GPRESSURE: 4309400 85.3637 -93.9223 -54.5523 27.627 9.65651 -129.617 -52.0864 -52.387 210.254 PRESSAVG: 4309400 29.6597 -57.5198 30.5803 -57.5198 -45.1782 -2.02398 30.5801 -2.02396 47.4108 GPRESSAVG: 4309400 29.2398 -55.7799 30.9231 -57.7918 -45.4868 -3.65022 31.1902 -0.603589 48.3681 TIMING: 4309400 CPU: 12950.5, 0.00295304/step Wall: 12950.5, 0.00295304/step, 0.566491 hours remaining, 210.664062 MB of memory in use. ENERGY: 4309400 710.0082 2107.2586 1964.8852 105.6014 -206331.6295 17943.6827 0.0000 0.0000 34250.3618 -149249.8316 299.1169 -183500.1933 -149154.1827 299.9230 66.2324 101.7581 556585.0941 10.6308 10.7070 PRESSURE: 4309600 -0.0412888 33.109 -16.545 33.1077 83.2905 -157.696 -16.5453 -157.696 14.7689 GPRESSURE: 4309600 46.7746 -23.3258 61.7262 16.3928 90.1864 -194.897 8.78412 -119.973 54.651 PRESSAVG: 4309600 43.0359 -34.1965 48.1627 -34.1965 -5.10499 -16.7133 48.1627 -16.7134 -66.179 GPRESSAVG: 4309600 43.6188 -34.6265 47.9632 -33.7453 -5.63579 -17.5522 47.0072 -15.1017 -66.2455 TIMING: 4309600 CPU: 12951.1, 0.00295909/step Wall: 12951.1, 0.00295909/step, 0.567488 hours remaining, 210.664062 MB of memory in use. ENERGY: 4309600 751.0869 2069.4111 1968.6979 108.7766 -206493.5054 18036.8662 0.0000 0.0000 34083.7199 -149474.9468 297.6616 -183558.6667 -149377.1602 299.0648 32.6727 63.8707 558050.0006 -9.4160 -9.4208 PRESSURE: 4309800 9.87678 -1.39062 -69.4499 -1.3904 -137.936 -65.9201 -69.4477 -65.9211 -57.7923 GPRESSURE: 4309800 34.7997 64.4993 -18.2731 -14.8766 -128.534 -34.1206 -86.5714 -42.7179 16.4849 PRESSAVG: 4309800 27.7196 -33.5642 25.397 -33.5642 8.25724 7.35028 25.397 7.35029 4.787 GPRESSAVG: 4309800 28.0212 -34.1632 25.3767 -31.7508 8.14806 7.77795 25.3119 5.30863 4.87477 TIMING: 4309800 CPU: 12951.7, 0.0029784/step Wall: 12951.7, 0.0029784/step, 0.571025 hours remaining, 210.664062 MB of memory in use. ENERGY: 4309800 704.0455 2089.0086 1961.4939 113.3162 -206541.4561 17942.1677 0.0000 0.0000 34328.1718 -149403.2525 299.7965 -183731.4243 -149308.5823 297.9896 -61.9504 -25.7500 558441.7624 13.5880 13.6813 PRESSURE: 4310000 185.51 -105.89 178.408 -105.89 64.288 -3.82805 178.409 -3.8265 -166.259 GPRESSURE: 4310000 219.438 -66.3234 168.533 -104.39 98.2325 -58.1589 208.131 69.9889 -136.287 PRESSAVG: 4310000 37.0845 -4.45128 32.6268 -4.45128 -65.1109 27.8662 32.6269 27.8663 31.3064 GPRESSAVG: 4310000 37.42 -4.98825 34.7261 -5.62052 -64.8864 27.7216 32.5974 28.937 30.8189 TIMING: 4310000 CPU: 12952.3, 0.00299816/step Wall: 12952.3, 0.00299816/step, 0.574648 hours remaining, 210.664062 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: 4310000 731.5419 2088.9275 1941.4952 103.9897 -206395.9896 17896.2114 0.0000 0.0000 34411.0991 -149222.7247 300.5207 -183633.8238 -149133.5115 299.4762 27.8464 60.4610 557984.8265 1.0933 1.1175 PRESSURE: 4310200 -86.5684 25.7923 -88.0108 25.7921 120.767 -20.7487 -88.0108 -20.7508 51.6483 GPRESSURE: 4310200 -18.3468 105.03 -29.9805 -25.0082 115.139 -22.0919 -94.8576 -76.8511 95.9422 PRESSAVG: 4310200 -10.3212 -12.1413 -18.2085 -12.1413 -19.9075 -26.5514 -18.2085 -26.5515 14.0312 GPRESSAVG: 4310200 -11.7656 -13.3575 -20.951 -11.2146 -19.4084 -26.5668 -17.2937 -26.638 15.0054 TIMING: 4310200 CPU: 12952.9, 0.00297377/step Wall: 12952.9, 0.00297377/step, 0.569807 hours remaining, 210.664062 MB of memory in use. ENERGY: 4310200 742.2101 2087.0504 1947.6501 113.8178 -206076.7402 17722.4930 0.0000 0.0000 34157.9108 -149305.6081 298.3095 -183463.5189 -149207.3057 299.4347 28.6157 64.2447 557930.5261 -5.3992 -5.3895 PRESSURE: 4310400 -20.8409 -77.7721 -56.6813 -77.7734 93.9239 265.55 -56.6808 265.552 14.969 GPRESSURE: 4310400 8.50687 -147.431 -50.101 -73.1033 103.993 310.548 -10.0832 195.04 75.0628 PRESSAVG: 4310400 -52.9919 48.6756 27.1811 48.6756 25.7444 29.2656 27.1811 29.2657 -2.92093 GPRESSAVG: 4310400 -51.9179 50.4578 30.4683 46.529 25.9046 30.443 24.9755 28.9649 -4.41448 TIMING: 4310400 CPU: 12953.5, 0.00297698/step Wall: 12953.5, 0.00297698/step, 0.570257 hours remaining, 210.664062 MB of memory in use. ENERGY: 4310400 782.4496 2063.8758 1979.0936 127.5646 -206335.8695 17922.4080 0.0000 0.0000 34238.9468 -149221.5309 299.0172 -183460.4777 -149118.4102 299.2152 29.3507 62.5208 558013.9900 -10.0561 -10.1426 PRESSURE: 4310600 -39.5397 116.149 126.749 116.15 -207.073 327.174 126.751 327.172 73.7081 GPRESSURE: 4310600 -13.2889 -38.5309 94.337 169.171 -169.614 334.016 65.2777 345.883 106.601 PRESSAVG: 4310600 -9.39371 46.6035 21.4506 46.6034 50.0378 47.143 21.4506 47.1431 1.31283 GPRESSAVG: 4310600 -9.10726 44.9859 19.216 47.1205 49.1339 46.1164 22.8445 46.6498 2.2885 TIMING: 4310600 CPU: 12954, 0.00295904/step Wall: 12954, 0.00295904/step, 0.566656 hours remaining, 210.664062 MB of memory in use. ENERGY: 4310600 766.5947 2115.0082 1963.7925 119.9498 -206228.0433 17733.8395 0.0000 0.0000 34319.0852 -149209.7735 299.7171 -183528.8587 -149112.1830 298.6772 -57.6350 -25.4341 558694.7260 13.9856 14.1051 PRESSURE: 4310800 124.548 -26.8236 104.5 -26.8237 -218.44 -86.3884 104.501 -86.3872 -411.228 GPRESSURE: 4310800 124.05 -68.4292 56.739 11.3804 -175.691 -37.1045 128.418 -91.7441 -343.478 PRESSAVG: 4310800 -7.3182 -38.5646 77.0174 -38.5646 -60.8362 10.0041 77.0175 10.004 70.8278 GPRESSAVG: 4310800 -7.63148 -35.9524 77.7592 -38.165 -61.3901 9.50191 76.3265 10.2882 71.1099 TIMING: 4310800 CPU: 12954.6, 0.0029669/step Wall: 12954.6, 0.0029669/step, 0.567996 hours remaining, 210.664062 MB of memory in use. ENERGY: 4310800 764.4111 2121.8539 1951.2961 110.8380 -205713.4169 17578.6311 0.0000 0.0000 34162.8954 -149023.4914 298.3531 -183186.3867 -148916.9560 299.1297 -168.3732 -131.7064 558465.5874 0.8912 0.6961 PRESSURE: 4311000 233.639 20.4799 168.771 20.4786 58.506 40.0908 168.772 40.0916 -95.9735 GPRESSURE: 4311000 307.225 63.4361 260.575 51.1293 48.0284 3.22487 141.447 15.6101 -71.3279 PRESSAVG: 4311000 9.70233 -43.7144 90.7655 -43.7144 12.72 -23.2757 90.7654 -23.2755 -31.5018 GPRESSAVG: 4311000 9.43494 -45.4485 91.9225 -44.6857 13.3925 -22.6844 90.1763 -23.3092 -31.7936 TIMING: 4311000 CPU: 12955.2, 0.00297384/step Wall: 12955.2, 0.00297384/step, 0.56916 hours remaining, 210.664062 MB of memory in use. ENERGY: 4311000 747.0502 2087.9437 1942.2849 112.9269 -206275.2354 17912.3923 0.0000 0.0000 34382.3847 -149090.2526 300.2699 -183472.6373 -148991.5999 299.0854 65.3905 94.6417 556805.3910 -3.0265 -2.9887 PRESSURE: 4311200 116.447 84.2888 82.3123 84.2896 79.1055 -13.8905 82.3115 -13.8909 -9.91344 GPRESSURE: 4311200 160.18 41.6442 58.3816 -78.1109 104.335 26.7808 144.636 -27.1872 11.1 PRESSAVG: 4311200 -2.22748 -3.10045 33.6639 -3.10052 -8.25471 -26.3425 33.6639 -26.3426 32.2751 GPRESSAVG: 4311200 -1.02054 -3.72905 32.5861 -3.41933 -8.81552 -24.5912 33.4422 -25.989 31.6485 TIMING: 4311200 CPU: 12955.8, 0.00295917/step Wall: 12955.8, 0.00295917/step, 0.566188 hours remaining, 210.664062 MB of memory in use. ENERGY: 4311200 722.5252 2134.5827 1976.9929 109.3281 -206425.3835 17830.6038 0.0000 0.0000 34457.2978 -149194.0532 300.9242 -183651.3510 -149093.8451 299.5638 61.8798 91.8717 556540.3608 7.2643 7.2708 PRESSURE: 4311400 -150.096 12.8204 -105.282 12.8189 -162.123 -25.8997 -105.282 -25.901 219.246 GPRESSURE: 4311400 -124.244 105.578 -30.5202 43.5691 -134.426 -61.8441 -134.514 -81.3947 266.372 PRESSAVG: 4311400 -29.4765 45.1369 5.63483 45.1369 -26.8676 38.0313 5.63485 38.0314 42.3129 GPRESSAVG: 4311400 -30.3099 46.3519 6.41961 47.6418 -25.8918 36.3571 5.27675 38.3405 41.7022 TIMING: 4311400 CPU: 12956.4, 0.00294424/step Wall: 12956.4, 0.00294424/step, 0.563167 hours remaining, 210.664062 MB of memory in use. ENERGY: 4311400 735.4219 2033.8907 1939.5897 108.1140 -205970.9419 17668.5183 0.0000 0.0000 34341.1548 -149144.2524 299.9098 -183485.4072 -149038.9708 298.8679 -30.9910 2.5675 557317.3917 -4.6771 -4.8332 PRESSURE: 4311600 -12.3511 43.8975 123.242 43.8968 -101.388 -227.76 123.242 -227.759 -136.529 GPRESSURE: 4311600 12.5925 -31.5909 194.105 91.8691 -79.978 -223.541 2.18837 -220.163 -71.6552 PRESSAVG: 4311600 11.3482 -6.71286 26.0866 -6.71273 -53.6836 -9.13655 26.0866 -9.13663 52.6687 GPRESSAVG: 4311600 10.9583 -9.17227 24.8961 -8.43112 -54.8718 -9.82885 28.098 -7.646 54.1981 TIMING: 4311600 CPU: 12957, 0.00297185/step Wall: 12957, 0.00297185/step, 0.568284 hours remaining, 210.664062 MB of memory in use. ENERGY: 4311600 744.3768 2070.3287 1969.7357 104.7797 -206199.1958 17768.6589 0.0000 0.0000 34091.9868 -149449.3294 297.7338 -183541.3161 -149354.3267 299.3801 -83.4228 -46.3469 556762.5726 3.4444 3.4282 PRESSURE: 4311800 12.7736 -76.0134 119.483 -76.0126 459.869 -24.1254 119.484 -24.1266 220.058 GPRESSURE: 4311800 32.8456 -50.8786 93.1225 -82.9793 508.344 1.94042 104.075 -130.765 241.893 PRESSAVG: 4311800 -27.5833 1.85666 61.0059 1.85671 -4.93252 -38.6054 61.0058 -38.6054 2.1144 GPRESSAVG: 4311800 -26.8636 1.48337 60.2122 4.02106 -5.28671 -39.7346 59.4559 -39.5794 0.956171 TIMING: 4311800 CPU: 12957.6, 0.00295924/step Wall: 12957.6, 0.00295924/step, 0.565707 hours remaining, 210.664062 MB of memory in use. ENERGY: 4311800 716.0612 2080.6154 1948.2653 111.9000 -206400.3489 18027.4413 0.0000 0.0000 34048.9199 -149467.1459 297.3577 -183516.0658 -149376.2855 297.8862 230.9002 261.0276 556966.2999 -10.1338 -10.3981 PRESSURE: 4312000 -3.92318 52.1498 26.9339 52.1487 -172.797 113.824 26.9351 113.823 1.36283 GPRESSURE: 4312000 73.2944 121.88 89.2372 1.99315 -184.155 112.417 7.05175 153.522 40.1983 PRESSAVG: 4312000 -4.98786 -11.2099 -1.82557 -11.2099 -47.4121 24.7348 -1.82556 24.7349 33.8109 GPRESSAVG: 4312000 -4.35187 -10.4059 0.933416 -11.3799 -47.5674 25.6675 -1.01151 25.3755 33.5163 TIMING: 4312000 CPU: 12958.2, 0.00295889/step Wall: 12958.2, 0.00295889/step, 0.565477 hours remaining, 210.664062 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: 4312000 753.1327 2035.6136 1932.2587 117.4318 -206130.2335 17816.6669 0.0000 0.0000 34137.9250 -149337.2048 298.1350 -183475.1298 -149246.0574 298.2745 -58.4524 -23.5540 557580.1557 -6.1964 -6.1343 PRESSURE: 4312200 139.525 112.358 103.811 112.358 135.786 39.3603 103.811 39.3593 70.838 GPRESSURE: 4312200 121.934 160.682 153.097 -5.08624 197.545 -44.7435 17.9086 50.6659 132.909 PRESSAVG: 4312200 9.04681 35.6128 8.75433 35.6128 -30.2065 13.0451 8.75432 13.0451 44.6225 GPRESSAVG: 4312200 8.81625 36.3488 8.56177 34.6462 -29.7793 12.683 8.98179 12.3573 45.0999 TIMING: 4312200 CPU: 12958.8, 0.00294374/step Wall: 12958.8, 0.00294374/step, 0.562418 hours remaining, 210.664062 MB of memory in use. ENERGY: 4312200 723.5218 2053.5416 1928.7384 118.1081 -206384.2547 18216.7889 0.0000 0.0000 34191.9425 -149151.6134 298.6067 -183343.5559 -149063.3579 299.0295 115.3828 150.7962 558293.1301 7.8209 8.0456 LDB: ============= START OF LOAD BALANCING ============== 12962.3 LDB: ============== END OF LOAD BALANCING =============== 12962.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12962.3 LDB: ============= START OF LOAD BALANCING ============== 12962.6 LDB: Largest compute 4773 load 0.027628 is 23.4% of average load 0.118122 LDB: Average compute 0.001731 is 1.5% of average load 0.118122 LDB: TIME 12962.6 LOAD: AVG 0.118122 MAX 0.208233 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.875 MB LDB: TIME 12962.6 LOAD: AVG 0.118122 MAX 0.208233 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.078 MB LDB: TIME 12962.6 LOAD: AVG 0.118122 MAX 0.208233 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.078 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12962.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12962.6 PRESSURE: 4312400 101.399 163.783 -110.659 163.782 104.223 42.6256 -110.657 42.6244 417.709 GPRESSURE: 4312400 98.1322 107.501 -149.11 176.759 142.249 56.1458 -101.013 71.412 468.344 PRESSAVG: 4312400 -17.9561 54.5661 19.2424 54.5662 -32.3625 53.1237 19.2424 53.1236 52.2724 GPRESSAVG: 4312400 -18.4924 54.129 17.1612 54.6206 -32.5246 54.8549 21.1052 51.6826 52.6585 TIMING: 4312400 CPU: 12959.4, 0.00304598/step Wall: 12959.4, 0.00304598/step, 0.581782 hours remaining, 209.394531 MB of memory in use. ENERGY: 4312400 730.9146 2063.7017 1933.2500 113.7672 -206189.5580 18101.5382 0.0000 0.0000 34143.3953 -149102.9910 298.1828 -183246.3863 -149003.0054 299.3165 207.7771 236.2418 557397.7223 0.6512 0.5471 PRESSURE: 4312600 105.799 260.986 -164.728 260.986 -290.968 -36.4034 -164.729 -36.4042 -108.959 GPRESSURE: 4312600 117.449 139.084 -94.704 322.208 -235.611 -66.2198 -76.9182 0.74894 -81.0415 PRESSAVG: 4312600 66.4352 73.1594 -52.4922 73.1593 -107.301 16.8634 -52.4923 16.8634 8.87384 GPRESSAVG: 4312600 67.5535 73.7203 -50.4771 71.7162 -107.713 16.707 -54.3453 17.076 8.53498 TIMING: 4312600 CPU: 12960, 0.00302198/step Wall: 12960, 0.00302198/step, 0.577031 hours remaining, 209.597656 MB of memory in use. ENERGY: 4312600 723.1408 2054.4624 1934.6273 117.8749 -206199.6131 17906.2863 0.0000 0.0000 34188.8204 -149274.4009 298.5795 -183463.2213 -149174.9010 299.2092 -98.0427 -66.4010 558637.3768 -10.6641 -10.5415 PRESSURE: 4312800 78.2793 7.6574 24.2633 7.65825 -128.893 6.66079 24.2644 6.6608 -67.5768 GPRESSURE: 4312800 147.459 -18.3515 -15.5736 37.9123 -90.9659 6.0044 -42.8643 61.0265 -77.7061 PRESSAVG: 4312800 51.2766 92.6709 -2.99009 92.671 -17.4353 69.6731 -2.98997 69.6729 6.67198 GPRESSAVG: 4312800 51.1841 91.4693 -6.2814 93.8418 -17.8209 71.1526 -2.2511 69.3952 7.13513 TIMING: 4312800 CPU: 12960.6, 0.00298908/step Wall: 12960.6, 0.00298908/step, 0.570583 hours remaining, 209.597656 MB of memory in use. ENERGY: 4312800 744.6850 2060.1106 1979.1224 103.8177 -206435.0544 17880.7731 0.0000 0.0000 34429.2191 -149237.3264 300.6789 -183666.5455 -149139.1249 299.1134 -39.3969 -7.0711 558384.8700 13.5044 13.4995 PRESSURE: 4313000 102.186 -36.7539 -48.1779 -36.755 70.5075 -8.09819 -48.1754 -8.09751 -92.1212 GPRESSURE: 4313000 111.324 -43.6257 -67.6941 -144.901 118.826 -23.7616 -111.419 -30.0849 -51.4401 PRESSAVG: 4313000 21.5071 21.1287 -26.7244 21.1288 -9.65778 -22.3236 -26.7243 -22.3236 -31.2009 GPRESSAVG: 4313000 22.1085 20.318 -23.5282 22.1529 -8.85829 -24.7407 -28.7634 -19.6682 -32.191 TIMING: 4313000 CPU: 12961.2, 0.00296584/step Wall: 12961.2, 0.00296584/step, 0.56598 hours remaining, 209.656250 MB of memory in use. ENERGY: 4313000 728.6353 2097.9010 1939.0334 117.1322 -206164.5025 17908.5427 0.0000 0.0000 34189.0879 -149184.1700 298.5818 -183373.2579 -149093.1221 300.1172 26.8575 59.5700 557860.3590 -6.4505 -6.3136 PRESSURE: 4313200 -127.472 23.313 -56.4713 23.3123 -182.853 47.1626 -56.4713 47.1599 -150.963 GPRESSURE: 4313200 -72.6328 24.1817 -106.803 -41.0796 -197.027 40.7246 -1.1098 6.85288 -80.6279 PRESSAVG: 4313200 1.41456 3.5056 -45.2834 3.50552 19.6162 -18.1066 -45.2833 -18.1065 -11.4567 GPRESSAVG: 4313200 0.438092 3.4638 -44.8343 2.88945 19.0734 -17.7336 -44.9055 -19.639 -10.4107 TIMING: 4313200 CPU: 12961.8, 0.00295379/step Wall: 12961.8, 0.00295379/step, 0.563518 hours remaining, 209.792969 MB of memory in use. ENERGY: 4313200 744.4063 2125.3469 1945.9370 102.7976 -206134.4666 17660.5337 0.0000 0.0000 34345.8166 -149209.6285 299.9506 -183555.4451 -149112.9681 299.8982 -153.7627 -116.7626 557627.7182 3.1913 3.0336 PRESSURE: 4313400 -42.3423 201.276 3.74484 201.276 147.828 47.2848 3.744 47.2842 -75.915 GPRESSURE: 4313400 -11.8366 197.528 -52.2529 209.33 197.923 35.5753 76.8417 -8.78921 -60.549 PRESSAVG: 4313400 40.0241 33.9239 -60.5535 33.924 -46.2741 -9.44992 -60.5536 -9.4498 8.67531 GPRESSAVG: 4313400 39.8474 36.3186 -62.1357 32.3084 -45.4933 -10.1092 -60.9495 -9.30422 7.76407 TIMING: 4313400 CPU: 12962.4, 0.00294671/step Wall: 12962.4, 0.00294671/step, 0.562003 hours remaining, 209.792969 MB of memory in use. ENERGY: 4313400 727.4420 2094.0609 1951.7724 100.9427 -206335.4430 17884.4240 0.0000 0.0000 34204.4249 -149372.3760 298.7157 -183576.8009 -149270.8479 299.2424 9.8570 41.8459 557907.7009 0.8084 0.7061 PRESSURE: 4313600 -230.131 7.99727 -92.7431 7.99694 -294.763 20.856 -92.7431 20.8559 -128.859 GPRESSURE: 4313600 -208.192 21.9309 -67.6846 -31.9656 -287.697 77.0919 -113.007 73.3153 -62.4179 PRESSAVG: 4313600 37.6262 2.66676 -78.5482 2.66676 -25.7951 45.3767 -78.5482 45.3768 -21.776 GPRESSAVG: 4313600 37.9708 2.6309 -79.5872 4.37272 -26.6572 44.3563 -76.7533 45.0359 -21.5518 TIMING: 4313600 CPU: 12963, 0.00296347/step Wall: 12963, 0.00296347/step, 0.565035 hours remaining, 209.792969 MB of memory in use. ENERGY: 4313600 757.8871 2095.5527 1961.9320 110.5451 -206110.8180 17627.4915 0.0000 0.0000 34075.9063 -149481.5033 297.5934 -183557.4096 -149375.8420 299.0223 -217.9180 -186.1023 558416.9373 -3.3150 -3.4127 PRESSURE: 4313800 356.106 -72.5774 41.4109 -72.5771 205.551 -220.608 41.411 -220.608 295.307 GPRESSURE: 4313800 375.851 -40.0196 78.9588 -33.7943 252.588 -157.006 16.3858 -261.509 335.247 PRESSAVG: 4313800 28.7309 40.4297 -16.7011 40.4297 -15.5924 11.1699 -16.701 11.1699 4.00805 GPRESSAVG: 4313800 29.0407 38.9265 -16.5746 38.8783 -15.5212 12.7503 -16.6317 11.4045 3.37882 TIMING: 4313800 CPU: 12963.6, 0.00299135/step Wall: 12963.6, 0.00299135/step, 0.570184 hours remaining, 209.792969 MB of memory in use. ENERGY: 4313800 719.1703 2106.4351 1949.7855 104.6094 -206881.7470 18254.6221 0.0000 0.0000 34315.0809 -149432.0437 299.6821 -183747.1246 -149331.9395 298.7950 285.6546 321.2286 557119.2316 5.7155 5.6328 PRESSURE: 4314000 -36.0695 120.696 -36.354 120.697 -456.949 -51.829 -36.3527 -51.8295 -54.978 GPRESSURE: 4314000 -9.68657 151.912 -22.5216 121.895 -384.914 -86.039 -70.6813 -16.4538 -68.8588 PRESSAVG: 4314000 62.463 2.81695 -25.9267 2.8169 -8.8105 -86.8984 -25.9267 -86.8985 -11.9826 GPRESSAVG: 4314000 62.8691 3.93231 -24.9622 2.06975 -9.83087 -86.5432 -25.6656 -86.0455 -11.2545 TIMING: 4314000 CPU: 12964.2, 0.00296543/step Wall: 12964.2, 0.00296543/step, 0.56508 hours remaining, 209.792969 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: 4314000 762.5301 2099.8177 1936.6507 116.0715 -205843.9230 17571.4619 0.0000 0.0000 33904.7738 -149452.6173 296.0988 -183357.3911 -149357.5775 298.9584 -182.6655 -154.4866 559928.2864 13.8900 13.9279 PRESSURE: 4314200 -343.284 120.548 153.965 120.548 -70.1422 -151.646 153.965 -151.648 -67.9472 GPRESSURE: 4314200 -306.302 26.4568 82.4955 150.857 19.9627 -152.093 138.021 -96.9562 -82.0299 PRESSAVG: 4314200 15.4732 19.7381 -45.9967 19.7382 7.26505 -50.4695 -45.9967 -50.4696 -11.2863 GPRESSAVG: 4314200 14.4151 18.9248 -45.5444 20.3534 8.7111 -51.1392 -45.5505 -51.7349 -11.7849 TIMING: 4314200 CPU: 12964.8, 0.00298576/step Wall: 12964.8, 0.00298576/step, 0.568787 hours remaining, 209.792969 MB of memory in use. ENERGY: 4314200 737.8341 2060.3371 1941.0231 121.1878 -206176.0523 17727.0041 0.0000 0.0000 34105.3651 -149483.3011 297.8506 -183588.6662 -149388.2828 298.2767 -160.4578 -122.7898 558762.6965 3.8173 3.7804 PRESSURE: 4314400 -300.941 -132.364 0.585014 -132.363 -162.273 85.4642 0.584245 85.4632 -72.5062 GPRESSURE: 4314400 -305.097 -161.212 -50.0972 -144.984 -92.5492 69.3026 -10.3693 47.0471 -43.9214 PRESSAVG: 4314400 -32.1369 -13.9708 31.796 -13.9709 2.75643 -22.7752 31.796 -22.7752 49.7121 GPRESSAVG: 4314400 -32.403 -13.2611 29.8581 -12.7652 3.36541 -23.4732 31.997 -24.4116 49.8488 TIMING: 4314400 CPU: 12965.4, 0.00299618/step Wall: 12965.4, 0.00299618/step, 0.570606 hours remaining, 209.792969 MB of memory in use. ENERGY: 4314400 773.8777 2076.0541 1941.9219 119.8383 -206169.5293 17641.7814 0.0000 0.0000 34337.6740 -149278.3819 299.8794 -183616.0559 -149184.7803 298.5644 -178.5733 -147.1892 558609.3972 6.7772 6.9371 PRESSURE: 4314600 41.8537 -7.88556 271.886 -7.88622 -159.48 96.6494 271.884 96.6509 -72.9305 GPRESSURE: 4314600 86.8881 47.6158 221.334 -21.4589 -179.093 32.0084 243.8 94.5025 0.229624 PRESSAVG: 4314600 -67.2308 -2.12964 -20.2089 -2.12965 44.5132 -55.3605 -20.2089 -55.3604 38.7292 GPRESSAVG: 4314600 -66.9934 -2.5622 -18.8206 -3.68903 42.7639 -53.2467 -20.7927 -56.4163 40.3406 TIMING: 4314600 CPU: 12966, 0.00301675/step Wall: 12966, 0.00301675/step, 0.574355 hours remaining, 209.792969 MB of memory in use. ENERGY: 4314600 755.5004 2056.0290 1948.7025 125.5824 -206531.0981 17842.1963 0.0000 0.0000 34429.8424 -149373.2452 300.6844 -183803.0876 -149272.6994 299.7543 -63.5189 -30.6584 556330.1410 5.3372 5.3704 PRESSURE: 4314800 -245.191 87.2652 18.8379 87.2649 25.2581 25.2752 18.8375 25.2761 65.0141 GPRESSURE: 4314800 -187.793 138.159 22.5374 14.8609 28.6717 8.48503 14.5676 119.966 98.4641 PRESSAVG: 4314800 -53.9032 -2.95547 -24.4935 -2.95548 28.184 -44.6369 -24.4935 -44.6369 39.5421 GPRESSAVG: 4314800 -53.0795 -1.17806 -24.4545 -1.48828 28.7149 -46.2508 -25.5992 -41.8437 38.2171 TIMING: 4314800 CPU: 12966.6, 0.00299345/step Wall: 12966.6, 0.00299345/step, 0.569754 hours remaining, 209.792969 MB of memory in use. ENERGY: 4314800 733.3000 2069.0713 1985.8343 109.6451 -206406.5979 17723.8106 0.0000 0.0000 34463.6834 -149321.2534 300.9799 -183784.9367 -149225.4665 299.0614 -51.6397 -20.2191 556687.2558 4.6076 4.6175 PRESSURE: 4315000 84.4021 -29.3802 51.2204 -29.3803 141.971 -124.223 51.2192 -124.224 -105.144 GPRESSURE: 4315000 104.868 -20.9006 143.321 46.5186 199.914 -59.2188 6.0877 -40.2431 -90.1129 PRESSAVG: 4315000 -19.7309 20.8188 8.314 20.8188 8.22374 -3.35022 8.31401 -3.35026 15.7132 GPRESSAVG: 4315000 -20.5704 19.5835 9.66727 21.1496 7.37831 -1.96559 8.49979 -4.15115 17.3293 TIMING: 4315000 CPU: 12967.2, 0.00301057/step Wall: 12967.2, 0.00301057/step, 0.572845 hours remaining, 209.792969 MB of memory in use. ENERGY: 4315000 752.7643 2097.5471 1951.6574 107.5616 -206169.6197 17865.7127 0.0000 0.0000 34192.3592 -149202.0173 298.6104 -183394.3766 -149101.0896 299.0834 40.4094 71.5564 557680.9025 1.4020 1.3791 PRESSURE: 4315200 -234.457 132.569 95.2962 132.568 -54.7929 -119.049 95.2969 -119.05 -14.6448 GPRESSURE: 4315200 -201.845 96.7419 78.3925 32.2675 17.7625 -75.3514 45.5374 -207.002 -22.5718 PRESSAVG: 4315200 17.5057 24.1649 12.326 24.1649 -21.4985 -76.9949 12.3261 -76.995 12.0505 GPRESSAVG: 4315200 17.5271 24.0465 9.25839 22.8594 -19.8406 -77.9577 12.1966 -76.0471 10.2999 TIMING: 4315200 CPU: 12967.7, 0.00296517/step Wall: 12967.7, 0.00296517/step, 0.564041 hours remaining, 209.792969 MB of memory in use. ENERGY: 4315200 730.1207 2101.7082 1966.8544 114.0944 -205784.5075 17642.6694 0.0000 0.0000 33957.1026 -149271.9578 296.5558 -183229.0604 -149179.2659 298.9156 -101.2981 -68.8847 558318.3535 2.6859 2.6621 PRESSURE: 4315400 -94.6488 82.3467 15.6386 82.346 -81.6902 -99.5328 15.6377 -99.5342 -31.1719 GPRESSURE: 4315400 -57.9725 182.576 16.474 44.703 -52.0785 -68.1201 97.4029 -141.892 0.0802769 PRESSAVG: 4315400 -81.6436 -42.0312 31.3264 -42.0312 1.87504 -23.5665 31.3264 -23.5665 58.5037 GPRESSAVG: 4315400 -81.3873 -41.1433 32.7331 -42.4123 0.774757 -23.819 30.3849 -23.2378 59.7748 TIMING: 4315400 CPU: 12968.3, 0.00295297/step Wall: 12968.3, 0.00295297/step, 0.561556 hours remaining, 209.792969 MB of memory in use. ENERGY: 4315400 763.2457 2040.1840 1952.5473 98.2425 -206007.9401 17658.1952 0.0000 0.0000 34183.1769 -149312.3483 298.5302 -183495.5253 -149216.5501 299.1507 -69.1703 -36.6569 556299.1091 -7.0883 -6.9459 PRESSURE: 4315600 -90.4027 -153.125 -60.3809 -153.126 -143.381 -0.196146 -60.3805 -0.195621 -300.504 GPRESSURE: 4315600 -75.9033 -175.519 4.05645 -209.645 -114.292 -38.6656 -109.293 -88.6407 -254.096 PRESSAVG: 4315600 -39.3195 -15.5978 6.40463 -15.5978 54.9073 -12.33 6.40467 -12.33 9.64771 GPRESSAVG: 4315600 -39.1057 -14.6935 4.85806 -16.4796 55.885 -12.7268 7.96385 -12.8249 8.85654 TIMING: 4315600 CPU: 12968.9, 0.00299623/step Wall: 12968.9, 0.00299623/step, 0.569617 hours remaining, 209.792969 MB of memory in use. ENERGY: 4315600 784.1812 2103.5461 1921.8283 108.3251 -205823.0985 17623.4795 0.0000 0.0000 34056.2190 -149225.5194 297.4214 -183281.7384 -149128.4763 299.0295 -178.0961 -148.0972 557322.1379 8.4118 8.5453 PRESSURE: 4315800 36.178 -172.289 43.3808 -172.289 -177.283 -160.394 43.3821 -160.394 22.0291 GPRESSURE: 4315800 43.4579 -232.267 -60.4926 -91.3441 -95.8635 -135.626 165.282 -168.741 30.9106 PRESSAVG: 4315800 -48.8057 -92.7977 10.3509 -92.7977 37.4686 25.5648 10.3509 25.5649 10.0073 GPRESSAVG: 4315800 -49.1386 -94.4483 11.1818 -91.7029 36.9508 26.1005 10.0224 24.8674 10.1082 TIMING: 4315800 CPU: 12969.5, 0.00296952/step Wall: 12969.5, 0.00296952/step, 0.564373 hours remaining, 209.792969 MB of memory in use. ENERGY: 4315800 748.1933 2127.0370 1936.1731 108.1012 -205774.5819 17733.7238 0.0000 0.0000 34056.3278 -149065.0256 297.4224 -183121.3534 -148970.7588 299.3144 -39.6920 -7.1650 558156.1987 -0.4433 -0.6932 PRESSURE: 4316000 266.736 -61.2209 15.8278 -61.2206 263.948 -196.877 15.8276 -196.878 211.094 GPRESSURE: 4316000 310.313 -23.2175 48.3919 -66.0663 292.792 -153.078 -18.0353 -135.439 232.457 PRESSAVG: 4316000 61.3734 -9.99619 -20.0863 -9.99614 29.531 -13.6744 -20.0862 -13.6744 -76.6676 GPRESSAVG: 4316000 61.36 -11.7046 -20.2989 -7.86857 30.2664 -12.7939 -21.1518 -13.1903 -77.0392 TIMING: 4316000 CPU: 12970.1, 0.00295854/step Wall: 12970.1, 0.00295854/step, 0.562123 hours remaining, 209.792969 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: 4316000 741.9575 2149.8726 1917.3766 134.1560 -206783.1551 18372.1268 0.0000 0.0000 34426.6618 -149041.0039 300.6566 -183467.6657 -148942.1367 299.9023 247.2591 278.5209 557981.8848 4.7456 4.8624 PRESSURE: 4316200 -222.501 -28.9919 -45.5817 -28.9926 165.632 52.3311 -45.5826 52.3294 -118.037 GPRESSURE: 4316200 -190.079 13.7654 -31.5808 -103.405 211.231 6.50521 -31.1426 -19.5136 -95.7587 PRESSAVG: 4316200 22.9633 -17.6712 -16.3976 -17.6713 -41.9888 22.0441 -16.3976 22.0442 -0.218619 GPRESSAVG: 4316200 21.2379 -16.4429 -16.4961 -20.0081 -40.7554 22.2588 -17.2068 20.4482 -0.330031 TIMING: 4316200 CPU: 12970.7, 0.00297538/step Wall: 12970.7, 0.00297538/step, 0.565157 hours remaining, 209.792969 MB of memory in use. ENERGY: 4316200 757.5454 2058.7993 1931.1412 109.3443 -205907.7224 17598.6889 0.0000 0.0000 34334.9291 -149117.2742 299.8555 -183452.2033 -149015.7611 299.8522 -58.3022 -24.8691 558121.4548 -6.4147 -6.6158 LDB: ============= START OF LOAD BALANCING ============== 12974.2 LDB: ============== END OF LOAD BALANCING =============== 12974.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12974.2 LDB: ============= START OF LOAD BALANCING ============== 12974.5 LDB: Largest compute 4802 load 0.028035 is 23.7% of average load 0.118106 LDB: Average compute 0.001733 is 1.5% of average load 0.118106 LDB: TIME 12974.5 LOAD: AVG 0.118106 MAX 0.204928 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.941 MB LDB: TIME 12974.5 LOAD: AVG 0.118106 MAX 0.204928 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.145 MB LDB: TIME 12974.5 LOAD: AVG 0.118106 MAX 0.204928 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.145 MB LDB: ============== END OF LOAD BALANCING =============== 12974.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12974.5 PRESSURE: 4316400 -280.68 -13.708 9.73625 -13.7091 -139.688 -127.484 9.73676 -127.484 -39.6229 GPRESSURE: 4316400 -228.605 -6.33731 28.9857 -57.9678 -143.479 -70.3255 75.9952 -69.5924 1.76068 PRESSAVG: 4316400 -14.1896 27.6853 -16.2821 27.6853 40.5497 1.73221 -16.282 1.73228 6.78439 GPRESSAVG: 4316400 -13.4273 25.8824 -16.275 29.1061 39.0174 0.846233 -16.0141 4.31472 7.67394 TIMING: 4316400 CPU: 12971.3, 0.00305388/step Wall: 12971.3, 0.00305388/step, 0.579897 hours remaining, 209.257812 MB of memory in use. ENERGY: 4316400 784.4570 2091.0757 1970.3814 115.7962 -206248.5383 17929.5911 0.0000 0.0000 34171.5561 -149185.6809 298.4287 -183357.2370 -149088.9639 299.7013 -153.3301 -123.4411 559758.2926 11.0482 11.0880 PRESSURE: 4316600 127.174 -50.6305 -111.109 -50.6311 -218.008 -2.0779 -111.109 -2.0787 -274.474 GPRESSURE: 4316600 108.332 -3.9199 -56.1784 -37.8427 -196.03 -9.5562 -98.9432 -8.88248 -185.458 PRESSAVG: 4316600 -1.04064 9.04105 -1.1077 9.04128 -0.162475 -14.4956 -1.10769 -14.4957 16.5703 GPRESSAVG: 4316600 -0.590534 9.20531 -0.967842 8.60331 -0.267265 -14.4723 0.637128 -15.5191 15.961 TIMING: 4316600 CPU: 12971.9, 0.00297931/step Wall: 12971.9, 0.00297931/step, 0.565572 hours remaining, 209.367188 MB of memory in use. ENERGY: 4316600 781.7368 2079.3286 1956.6702 107.7179 -205899.4070 17632.8709 0.0000 0.0000 34194.7462 -149146.3364 298.6312 -183341.0826 -149048.8749 300.0299 -121.7694 -91.0518 558917.0011 5.1224 5.0344 PRESSURE: 4316800 -86.1931 -40.2869 86.8896 -40.288 10.2708 84.9876 86.891 84.9897 -360.616 GPRESSURE: 4316800 -31.445 41.9608 74.5271 -48.6793 40.7093 137.907 113.078 6.70109 -352.238 PRESSAVG: 4316800 19.2465 20.1369 -5.58586 20.1369 39.7659 -20.3225 -5.58574 -20.3225 -64.4304 GPRESSAVG: 4316800 19.6012 22.2195 -3.34348 20.141 38.8756 -21.2938 -6.27422 -19.721 -64.2813 TIMING: 4316800 CPU: 12972.5, 0.00297772/step Wall: 12972.5, 0.00297772/step, 0.565105 hours remaining, 209.367188 MB of memory in use. ENERGY: 4316800 760.6736 2137.0623 2000.5894 99.8649 -206302.0381 17683.0297 0.0000 0.0000 34533.3104 -149087.5077 301.5880 -183620.8181 -148993.6028 299.5903 -145.5128 -114.3245 558204.2346 -1.8060 -1.9348 PRESSURE: 4317000 73.3065 -148.95 77.2206 -148.95 27.8851 6.35812 77.2215 6.35786 -79.0187 GPRESSURE: 4317000 159.647 -193.909 54.0137 -121.955 12.8444 42.8596 11.2974 -14.7405 -66.9764 PRESSAVG: 4317000 -2.40495 -18.0336 76.5615 -18.0336 73.3641 -30.1797 76.5616 -30.1797 -32.9007 GPRESSAVG: 4317000 -2.60404 -19.2002 73.9892 -17.4115 74.1186 -29.858 75.8549 -31.5907 -33.7323 TIMING: 4317000 CPU: 12973.1, 0.0029789/step Wall: 12973.1, 0.0029789/step, 0.565164 hours remaining, 209.367188 MB of memory in use. ENERGY: 4317000 756.1532 2072.4419 1958.0642 112.2391 -206346.1992 17894.1664 0.0000 0.0000 34368.6096 -149184.5246 300.1496 -183553.1343 -149089.6207 299.1157 7.3910 35.1716 558668.0721 12.6861 12.5941 PRESSURE: 4317200 125.563 -148.409 -26.2406 -148.409 71.9862 -42.455 -26.2402 -42.4541 -88.1588 GPRESSURE: 4317200 86.1345 -147.692 -85.675 -192.908 118.6 -191.72 13.1937 -52.0884 -9.00612 PRESSAVG: 4317200 -57.545 -5.75606 55.7685 -5.75606 -39.1072 18.5457 55.7685 18.5457 48.5126 GPRESSAVG: 4317200 -57.3814 -4.27546 54.9317 -7.98258 -40.8039 18.3579 56.1782 19.9911 49.2241 TIMING: 4317200 CPU: 12973.7, 0.0029998/step Wall: 12973.7, 0.0029998/step, 0.568961 hours remaining, 209.367188 MB of memory in use. ENERGY: 4317200 714.5118 2073.5591 1975.1438 111.6528 -206023.8825 17761.2856 0.0000 0.0000 34286.5627 -149101.1666 299.4331 -183387.7293 -149006.3586 299.7858 36.4636 65.2428 558323.1586 -16.0465 -16.3204 PRESSURE: 4317400 -192.313 -67.3037 -55.9261 -67.304 -348.569 29.561 -55.9253 29.5608 -69.8211 GPRESSURE: 4317400 -152.176 -58.7605 -28.8571 -82.1989 -278.513 -10.9179 -4.61968 21.9587 -72.8215 PRESSAVG: 4317400 37.8218 -46.8013 23.6064 -46.8013 -34.3029 -28.2814 23.6064 -28.2814 9.50565 GPRESSAVG: 4317400 36.5741 -46.8948 26.136 -45.7045 -33.0897 -29.1212 23.4089 -27.8001 9.93729 TIMING: 4317400 CPU: 12974.3, 0.00297816/step Wall: 12974.3, 0.00297816/step, 0.564692 hours remaining, 209.367188 MB of memory in use. ENERGY: 4317400 737.3572 2075.0527 1922.1320 120.3925 -205884.8520 17487.0969 0.0000 0.0000 34350.2616 -149192.5592 299.9894 -183542.8208 -149089.6074 298.7796 -203.5677 -167.8366 559263.8753 4.3415 4.4739 PRESSURE: 4317600 130.937 -58.406 80.9685 -58.4058 47.2603 43.6789 80.9674 43.6777 -97.2275 GPRESSURE: 4317600 170.602 -87.131 187.216 -26.8248 58.7952 17.7874 27.1548 47.6663 -58.95 PRESSAVG: 4317600 -25.4911 -47.9442 -11.2094 -47.9442 -25.9068 18.514 -11.2094 18.514 -4.31628 GPRESSAVG: 4317600 -25.1925 -49.21 -10.9099 -45.9342 -25.9489 19.5895 -12.9331 16.7031 -4.68714 TIMING: 4317600 CPU: 12974.9, 0.00297836/step Wall: 12974.9, 0.00297836/step, 0.564564 hours remaining, 209.367188 MB of memory in use. ENERGY: 4317600 718.8167 2070.2748 1928.2862 114.5867 -205967.6609 17865.2948 0.0000 0.0000 34096.1686 -149174.2330 297.7703 -183270.4016 -149071.5573 298.0222 26.9899 56.8158 558072.1921 -18.5714 -18.6095 PRESSURE: 4317800 -230.855 -48.9297 -52.2757 -48.9305 -66.624 118.579 -52.2744 118.58 -71.8493 GPRESSURE: 4317800 -176.504 -22.1829 -26.3486 -44.0479 -38.1169 132.583 0.355803 110.076 -55.7041 PRESSAVG: 4317800 -9.63809 -8.19626 9.29371 -8.19624 17.5657 9.02512 9.29366 9.02506 2.99392 GPRESSAVG: 4317800 -10.2994 -6.47832 8.44981 -9.32328 19.3166 8.19889 11.4522 9.39104 2.00122 TIMING: 4317800 CPU: 12975.5, 0.00296707/step Wall: 12975.5, 0.00296707/step, 0.56226 hours remaining, 209.367188 MB of memory in use. ENERGY: 4317800 721.7707 2086.3537 1949.1960 113.0101 -206171.3705 17654.9741 0.0000 0.0000 34377.7793 -149268.2867 300.2297 -183646.0660 -149168.2880 299.0216 -123.1093 -90.1083 558102.6346 3.6405 3.6728 PRESSURE: 4318000 122.736 66.0007 -66.1104 66.0008 -53.5862 51.8706 -66.1098 51.8694 11 GPRESSURE: 4318000 161.858 77.9877 1.99722 18.2432 3.98098 44.1307 -130.891 69.3204 10.6727 PRESSAVG: 4318000 -103.084 -14.6241 -31.1208 -14.6241 21.1694 14.4138 -31.1207 14.4138 72.6652 GPRESSAVG: 4318000 -102.951 -14.9352 -30.2633 -14.4381 19.582 15.2266 -32.3929 16.1445 73.6628 TIMING: 4318000 CPU: 12976.1, 0.00299965/step Wall: 12976.1, 0.00299965/step, 0.568266 hours remaining, 209.367188 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: 4318000 718.9551 2086.4504 1959.6738 117.7178 -206194.8355 17892.2157 0.0000 0.0000 34113.1242 -149306.6986 297.9184 -183419.8228 -149207.3019 299.6872 26.7166 58.8373 558157.4643 -3.0831 -3.2354 PRESSURE: 4318200 352.367 182.539 34.9627 182.539 7.77911 66.5732 34.963 66.5743 50.1589 GPRESSURE: 4318200 325.118 162.267 16.3029 194.214 61.4505 36.5722 3.29428 35.144 108.769 PRESSAVG: 4318200 -29.4158 27.2724 -8.85755 27.2725 -22.2496 10.5605 -8.85743 10.5606 34.6459 GPRESSAVG: 4318200 -29.285 26.626 -9.02991 27.5241 -22.4535 10.0433 -8.5411 10.1287 34.5046 TIMING: 4318200 CPU: 12976.7, 0.00300169/step Wall: 12976.7, 0.00300169/step, 0.568487 hours remaining, 209.367188 MB of memory in use. ENERGY: 4318200 740.6309 2106.6700 1933.0054 121.9113 -206198.0918 17951.8461 0.0000 0.0000 34088.4833 -149255.5449 297.7032 -183344.0282 -149157.2057 298.8482 136.7682 165.1127 556711.5194 -5.6732 -5.7446 PRESSURE: 4318400 -218.301 -100.974 -142.081 -100.975 -162.039 -112.042 -142.082 -112.043 82.8563 GPRESSURE: 4318400 -208.538 -73.4697 -143.226 -180.047 -105.933 -121.747 -132.635 -89.1393 111.494 PRESSAVG: 4318400 24.8962 -1.16422 0.32889 -1.1642 -51.1364 4.14532 0.328799 4.14538 6.18218 GPRESSAVG: 4318400 24.9086 -0.319439 -0.325454 -3.54929 -52.0193 3.64921 -0.0218156 5.26791 7.3157 TIMING: 4318400 CPU: 12977.3, 0.00299253/step Wall: 12977.3, 0.00299253/step, 0.566585 hours remaining, 209.367188 MB of memory in use. ENERGY: 4318400 772.2472 2080.3219 1944.4029 118.3364 -206151.2885 17766.3251 0.0000 0.0000 34030.9053 -149438.7497 297.2004 -183469.6550 -149341.1030 298.9106 -99.1611 -67.6590 557795.8862 -6.6860 -6.5983 PRESSURE: 4318600 62.6767 8.15476 19.9846 8.15446 -379.055 -66.007 19.9852 -66.0089 175.735 GPRESSURE: 4318600 113.849 -8.32126 58.5126 -56.6886 -393.244 -108.063 40.849 -6.96925 237.077 PRESSAVG: 4318600 33.3632 17.5507 2.74354 17.5508 -77.5436 48.0246 2.7435 48.0245 26.6286 GPRESSAVG: 4318600 33.2702 17.2823 1.41006 20.0173 -76.1995 48.7085 4.47315 45.8852 25.8331 TIMING: 4318600 CPU: 12977.9, 0.00299033/step Wall: 12977.9, 0.00299033/step, 0.566004 hours remaining, 209.367188 MB of memory in use. ENERGY: 4318600 745.1252 2026.2577 1963.7695 113.8081 -206664.7392 17961.9818 0.0000 0.0000 34329.6957 -149524.1012 299.8098 -183853.7969 -149432.3346 298.3510 -46.8812 -14.1062 558441.9889 -5.8506 -5.6987 PRESSURE: 4318800 157.588 -137.281 -128.655 -137.282 3.25826 33.201 -128.655 33.1993 -98.3332 GPRESSURE: 4318800 178.944 -70.4484 -175.291 -198.227 -1.59572 83.8594 -78.6719 42.468 -30.3818 PRESSAVG: 4318800 -4.59831 19.4638 20.1794 19.4639 -113.593 63.3244 20.1794 63.3243 107.857 GPRESSAVG: 4318800 -5.01608 19.7583 20.3001 19.2545 -114.424 61.8172 20.9059 64.2928 108.508 TIMING: 4318800 CPU: 12978.5, 0.00298331/step Wall: 12978.5, 0.00298331/step, 0.564509 hours remaining, 209.367188 MB of memory in use. ENERGY: 4318800 700.9997 2086.0211 1960.6774 120.6411 -206099.5599 17797.9608 0.0000 0.0000 34081.8182 -149351.4416 297.6450 -183433.2598 -149250.7735 298.4013 20.8376 48.9889 556986.5539 -3.4447 -3.6442 PRESSURE: 4319000 -193.385 115.633 39.7712 115.634 -105.212 150.735 39.7713 150.734 210.443 GPRESSURE: 4319000 -110.04 114.584 78.6332 111.617 -71.58 180.533 -68.1256 74.8118 178.316 PRESSAVG: 4319000 -17.0328 12.906 -3.08442 12.906 -85.427 91.5711 -3.08439 91.5712 128.953 GPRESSAVG: 4319000 -16.5966 12.1025 -2.63536 12.8557 -85.2128 93.8721 -4.87451 90.587 128.848 TIMING: 4319000 CPU: 12979.1, 0.00298615/step Wall: 12979.1, 0.00298615/step, 0.56488 hours remaining, 209.367188 MB of memory in use. ENERGY: 4319000 741.4350 2085.7137 1933.7324 120.9296 -206153.2220 17758.5036 0.0000 0.0000 34128.1723 -149384.7353 298.0498 -183512.9076 -149290.7756 298.8085 -29.3847 -1.1016 556946.0735 8.8312 9.0130 PRESSURE: 4319200 -2.89995 -68.7307 169.283 -68.73 -56.4904 46.8368 169.283 46.838 156.701 GPRESSURE: 4319200 47.8345 -55.4217 202.844 -22.3867 -83.6401 -53.984 161.762 -44.8911 218.451 PRESSAVG: 4319200 -4.91542 19.0753 -2.91314 19.0753 -32.1409 10.852 -2.91315 10.852 94.595 GPRESSAVG: 4319200 -4.46009 20.7617 -1.91832 18.1242 -32.1474 10.0377 -3.55316 11.8871 94.4451 TIMING: 4319200 CPU: 12979.7, 0.00295084/step Wall: 12979.7, 0.00295084/step, 0.558036 hours remaining, 209.367188 MB of memory in use. ENERGY: 4319200 770.7556 2063.3929 1951.0244 92.2297 -206262.5034 17880.5563 0.0000 0.0000 34174.9599 -149329.5845 298.4584 -183504.5444 -149237.2164 299.1566 32.4368 60.8819 557360.9553 19.1796 19.2792 PRESSURE: 4319400 -159.707 -230.215 -129.223 -230.215 -112.289 147.347 -129.224 147.348 -184.717 GPRESSURE: 4319400 -106.971 -296.554 -91.6342 -216.597 -88.765 48.1898 -156.926 176.539 -180.308 PRESSAVG: 4319400 42.8691 -31.294 -15.5108 -31.2939 -8.37353 61.7591 -15.5107 61.7591 -8.94509 GPRESSAVG: 4319400 43.0366 -33.5982 -15.9092 -31.2491 -8.66312 60.9506 -15.6502 60.3003 -8.85553 TIMING: 4319400 CPU: 12980.3, 0.0029734/step Wall: 12980.3, 0.0029734/step, 0.562138 hours remaining, 209.367188 MB of memory in use. ENERGY: 4319400 743.0050 2104.0006 1936.8274 102.6830 -205732.9093 17466.9656 0.0000 0.0000 34282.1199 -149097.3079 299.3943 -183379.4278 -149000.5054 299.0923 -152.2375 -125.3481 558199.0072 8.5168 8.5060 PRESSURE: 4319600 170.568 173.545 -45.8952 173.545 61.6572 -80.3289 -45.8944 -80.3297 248.941 GPRESSURE: 4319600 173.657 207.654 -133.721 88.0491 107.72 -73.3268 -50.6787 -153.361 291.389 PRESSAVG: 4319600 -6.04826 -56.02 -73.9444 -56.0199 7.3847 -14.8756 -73.9443 -14.8756 24.2469 GPRESSAVG: 4319600 -7.43592 -53.8636 -74.2671 -56.0905 9.15563 -14.5388 -72.6222 -13.2001 24.1272 TIMING: 4319600 CPU: 12980.9, 0.00298855/step Wall: 12980.9, 0.00298855/step, 0.564837 hours remaining, 209.367188 MB of memory in use. ENERGY: 4319600 730.9435 2043.4719 1932.4983 115.2832 -206707.1351 18253.5905 0.0000 0.0000 34737.8542 -148893.4934 303.3743 -183631.3476 -148795.6711 300.4828 160.3888 190.9221 556153.1051 8.5278 8.6156 PRESSURE: 4319800 151.526 -87.2744 -85.904 -87.2739 146.483 -83.9819 -85.9062 -83.9809 67.4064 GPRESSURE: 4319800 230.035 -93.2317 -76.7385 50.8918 163.304 -52.3277 -40.4028 -97.6539 74.0849 PRESSAVG: 4319800 69.7886 8.54029 -21.5896 8.5404 -57.165 -19.4518 -21.5897 -19.4518 -47.8472 GPRESSAVG: 4319800 70.0465 7.91755 -20.7268 9.77584 -58.1588 -17.9756 -21.4061 -19.9134 -47.3884 TIMING: 4319800 CPU: 12981.5, 0.00297182/step Wall: 12981.5, 0.00297182/step, 0.561509 hours remaining, 209.367188 MB of memory in use. ENERGY: 4319800 710.6227 2109.6850 1958.6474 98.0580 -206191.7773 17930.0949 0.0000 0.0000 34357.8103 -149026.8591 300.0553 -183384.6693 -148928.0940 300.3188 121.8052 155.8081 556547.3580 -11.7412 -11.8335 PRESSURE: 4320000 273.27 -65.4033 -8.25521 -65.4039 -126.162 -93.8869 -8.25554 -93.8863 176.894 GPRESSURE: 4320000 308.574 -115.444 0.33895 -97.0799 -77.0351 -45.081 -107.238 -89.7416 196.955 PRESSAVG: 4320000 59.8898 9.30585 -29.7177 9.30581 -18.9524 -4.55439 -29.7177 -4.5543 -28.8345 GPRESSAVG: 4320000 61.6212 7.33257 -30.9499 8.22117 -19.439 -6.05502 -29.6327 -4.21665 -30.0233 TIMING: 4320000 CPU: 12982.1, 0.00298689/step Wall: 12982.1, 0.00298689/step, 0.564191 hours remaining, 209.367188 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: 4320000 712.6688 2095.5057 1939.4912 113.3837 -205972.6771 17795.9551 0.0000 0.0000 34395.4361 -148920.2365 300.3839 -183315.6726 -148820.2035 300.3008 108.0008 142.8316 557079.4488 4.0343 4.0530 PRESSURE: 4320200 -290.823 110.927 -63.758 110.926 -146.441 -201.905 -63.7593 -201.907 -469.186 GPRESSURE: 4320200 -283.074 124.33 -96.2148 114.079 -165.471 -223.517 -39.6526 -143.265 -367.154 PRESSAVG: 4320200 55.735 -6.21351 -33.5343 -6.21355 -16.7138 -24.4613 -33.5344 -24.4612 -23.3568 GPRESSAVG: 4320200 54.8349 -6.13608 -30.727 -4.71663 -16.873 -23.1185 -36.1857 -26.1407 -22.1868 TIMING: 4320200 CPU: 12982.7, 0.0029694/step Wall: 12982.7, 0.0029694/step, 0.560722 hours remaining, 209.367188 MB of memory in use. ENERGY: 4320200 755.3128 2135.5626 1982.2195 105.7300 -205541.0173 17399.9030 0.0000 0.0000 34293.8593 -148868.4302 299.4968 -183162.2894 -148768.4438 300.6944 -302.1501 -271.8995 558173.4347 5.2215 5.2584 LDB: ============= START OF LOAD BALANCING ============== 12986.2 LDB: ============== END OF LOAD BALANCING =============== 12986.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12986.2 LDB: ============= START OF LOAD BALANCING ============== 12986.5 LDB: Largest compute 4802 load 0.028373 is 24.0% of average load 0.118084 LDB: Average compute 0.001732 is 1.5% of average load 0.118084 LDB: TIME 12986.5 LOAD: AVG 0.118084 MAX 0.207547 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.676 MB LDB: TIME 12986.5 LOAD: AVG 0.118084 MAX 0.207547 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.918 MB LDB: TIME 12986.5 LOAD: AVG 0.118084 MAX 0.207547 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.918 MB LDB: ============== END OF LOAD BALANCING =============== 12986.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12986.5 PRESSURE: 4320400 1.76969 -144.587 31.3638 -144.587 -85.6578 145.003 31.366 145.001 -136.765 GPRESSURE: 4320400 1.74542 -171.319 59.1038 -183.938 -34.5829 171.332 48.6667 77.6646 -98.7133 PRESSAVG: 4320400 28.6991 -19.0721 42.4277 -19.0721 32.1067 41.4325 42.4277 41.4323 -37.6496 GPRESSAVG: 4320400 29.6628 -16.4712 42.581 -21.8774 32.3288 40.9423 44.3191 42.8809 -38.7753 TIMING: 4320400 CPU: 12983.3, 0.00304113/step Wall: 12983.3, 0.00304113/step, 0.574098 hours remaining, 209.710938 MB of memory in use. ENERGY: 4320400 767.3906 2082.6968 1947.2818 110.0487 -205781.8338 17509.2441 0.0000 0.0000 34524.9793 -148840.1923 301.5152 -183365.1717 -148748.0147 300.1698 -73.5512 -43.8502 556761.9714 7.7187 7.7388 PRESSURE: 4320600 7.88795 13.4338 119.264 13.4337 -4.23077 -40.853 119.265 -40.853 -147.072 GPRESSURE: 4320600 -1.15427 4.23853 76.9438 -75.5335 61.7445 -70.3586 116.129 -16.9277 -93.2149 PRESSAVG: 4320600 44.4474 -18.5558 -25.1821 -18.556 -11.5249 13.3424 -25.1821 13.3424 14.5342 GPRESSAVG: 4320600 43.9668 -19.9299 -27.962 -17.539 -12.5019 12.0111 -26.1011 13.2431 16.0672 TIMING: 4320600 CPU: 12983.9, 0.00298259/step Wall: 12983.9, 0.00298259/step, 0.562882 hours remaining, 209.968750 MB of memory in use. ENERGY: 4320600 751.7453 2093.4508 1947.1401 119.0061 -205657.2632 17590.5755 0.0000 0.0000 34379.9514 -148775.3940 300.2487 -183155.3454 -148680.1772 300.3108 -47.8051 -10.8749 557876.4750 15.8189 15.8440 PRESSURE: 4320800 269.66 33.883 20.8298 33.8815 -83.1156 33.5903 20.8299 33.5892 -109.513 GPRESSURE: 4320800 238.106 61.0053 -76.7936 -19.9384 -10.2136 73.8338 75.0263 11.1127 -55.7085 PRESSAVG: 4320800 7.25021 -17.4974 10.0534 -17.4973 -42.6929 -38.0828 10.0535 -38.0828 -2.95976 GPRESSAVG: 4320800 6.87262 -17.8259 12.0964 -16.2296 -41.3363 -37.5938 8.77779 -38.236 -4.15177 TIMING: 4320800 CPU: 12984.5, 0.00299515/step Wall: 12984.5, 0.00299515/step, 0.565085 hours remaining, 209.968750 MB of memory in use. ENERGY: 4320800 715.6738 2088.5916 1952.7722 97.1761 -206013.8697 17800.7277 0.0000 0.0000 34533.2263 -148825.7021 301.5873 -183358.9283 -148734.2688 300.1087 25.6770 57.3948 558965.0457 -12.8008 -12.8718 PRESSURE: 4321000 -100.041 -69.0229 15.9275 -69.0222 -147.016 -13.2689 15.9256 -13.2691 -57.6448 GPRESSURE: 4321000 -98.7021 -33.6825 22.7309 11.2593 -87.9427 -42.7948 41.0398 -73.8473 -18.1314 PRESSAVG: 4321000 -33.2348 15.9425 53.3067 15.9425 -1.26064 -90.7354 53.3066 -90.7355 60.6571 GPRESSAVG: 4321000 -33.9196 14.868 51.6455 18.2604 -1.64526 -91.1146 54.6368 -90.6456 61.5343 TIMING: 4321000 CPU: 12985.1, 0.00299849/step Wall: 12985.1, 0.00299849/step, 0.565549 hours remaining, 209.968750 MB of memory in use. ENERGY: 4321000 743.5271 2089.3643 1941.6568 117.9094 -205718.0425 17696.9458 0.0000 0.0000 34377.6357 -148751.0035 300.2284 -183128.6391 -148658.0560 299.8216 -101.5673 -68.2587 559455.0641 8.7205 8.6565 PRESSURE: 4321200 86.4837 -138.902 -106.405 -138.901 -76.7524 -1.75399 -106.403 -1.75534 -247.697 GPRESSURE: 4321200 44.2473 -139.25 24.3791 -50.6873 -41.5457 -79.2187 -148.944 46.7216 -152.059 PRESSAVG: 4321200 -31.3628 0.456807 11.6112 0.456728 -26.5509 0.074705 11.6112 0.0746929 65.5714 GPRESSAVG: 4321200 -30.9322 0.848317 10.5558 -1.89762 -27.1428 2.78316 11.3198 -1.59398 66.2911 TIMING: 4321200 CPU: 12985.7, 0.00298546/step Wall: 12985.7, 0.00298546/step, 0.562926 hours remaining, 210.039062 MB of memory in use. ENERGY: 4321200 776.2340 2090.0551 1956.0151 105.5233 -205578.2643 17589.4978 0.0000 0.0000 34277.1262 -148783.8128 299.3507 -183060.9390 -148683.0804 300.4323 -79.3219 -49.7858 559763.7230 2.5526 2.7387 PRESSURE: 4321400 -166.029 -71.5808 50.8656 -71.5823 -126.182 49.536 50.8655 49.5367 40.1842 GPRESSURE: 4321400 -97.0927 -4.4106 84.2978 -31.6573 -99.2944 85.2503 120.195 41.5318 32.2178 PRESSAVG: 4321400 -47.8189 -32.4779 6.5999 -32.4779 6.83257 29.5399 6.59992 29.54 42.2476 GPRESSAVG: 4321400 -47.6814 -31.4067 10.3579 -32.6865 7.46739 27.4425 5.17334 30.4572 41.7166 TIMING: 4321400 CPU: 12986.3, 0.0029716/step Wall: 12986.3, 0.0029716/step, 0.560146 hours remaining, 210.039062 MB of memory in use. ENERGY: 4321400 757.0052 2089.1671 1944.6950 109.8122 -205799.5426 17606.3824 0.0000 0.0000 34509.1910 -148783.2897 301.3773 -183292.4807 -148691.6278 300.4652 -84.0088 -54.7231 558689.9080 0.4204 0.5009 PRESSURE: 4321600 187.715 101.685 142.879 101.685 85.5962 -113.532 142.879 -113.531 254.618 GPRESSURE: 4321600 175.918 197.269 85.0119 85.9813 136.073 -98.4975 236.81 -77.9823 304.155 PRESSAVG: 4321600 -31.7114 15.8686 11.5449 15.8686 -24.8767 14.0522 11.5449 14.0523 50.4128 GPRESSAVG: 4321600 -30.9879 15.505 9.04928 15.4451 -24.8614 14.2049 13.6391 17.0536 49.5792 TIMING: 4321600 CPU: 12986.9, 0.0029914/step Wall: 12986.9, 0.0029914/step, 0.563713 hours remaining, 210.039062 MB of memory in use. ENERGY: 4321600 749.8060 2062.0192 1912.0708 109.9057 -206116.3110 18070.8255 0.0000 0.0000 34520.2369 -148691.4468 301.4738 -183211.6837 -148597.2369 300.8796 175.9763 205.3822 558723.9109 -2.0584 -2.0900 PRESSURE: 4321800 -331.27 -116.187 106.719 -116.187 -179.513 -126.398 106.719 -126.398 337.802 GPRESSURE: 4321800 -230.282 -147.819 44.8603 -140.072 -223.611 -168.324 118.786 -120.688 375.759 PRESSAVG: 4321800 -10.7076 -6.43848 -1.57939 -6.43843 22.2414 -23.2152 -1.57933 -23.2151 26.6992 GPRESSAVG: 4321800 -10.5352 -5.47539 -1.24985 -5.77448 21.2212 -20.94 -0.658419 -25.5356 27.4633 TIMING: 4321800 CPU: 12987.5, 0.00299855/step Wall: 12987.5, 0.00299855/step, 0.564894 hours remaining, 210.039062 MB of memory in use. ENERGY: 4321800 753.1637 2089.0822 1910.5396 109.9888 -205964.4853 17854.0471 0.0000 0.0000 34400.9072 -148846.7567 300.4317 -183247.6639 -148748.8122 300.5096 -57.6600 -26.0450 558222.2504 12.7443 12.7164 PRESSURE: 4322000 -12.8123 62.6602 76.9825 62.6599 -249.297 73.0078 76.9828 73.0081 -75.6372 GPRESSURE: 4322000 68.891 84.6347 135.322 42.5403 -276.484 49.0772 55.8923 19.4348 -29.4502 PRESSAVG: 4322000 22.196 66.7434 -32.9575 66.7434 18.35 39.7704 -32.9575 39.7703 34.0251 GPRESSAVG: 4322000 20.6441 66.198 -32.3929 64.8881 19.5323 37.7024 -34.1429 41.3989 34.2827 TIMING: 4322000 CPU: 12988, 0.00297008/step Wall: 12988, 0.00297008/step, 0.559365 hours remaining, 210.039062 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: 4322000 747.5074 2040.6952 1910.2255 113.6159 -205500.9432 17594.6101 0.0000 0.0000 34211.3014 -148882.9876 298.7758 -183094.2891 -148786.9984 300.0054 -112.5821 -79.0145 558686.4070 24.8570 24.8197 PRESSURE: 4322200 -47.7916 105.33 -12.7673 105.329 87.6061 59.9172 -12.7672 59.9166 17.0998 GPRESSURE: 4322200 -62.3725 138.095 23.1249 114.006 182.83 38.9413 -76.6184 50.287 27.4695 PRESSAVG: 4322200 -32.7026 46.7412 -51.2512 46.7411 -50.5004 -25.5221 -51.2512 -25.5221 76.2473 GPRESSAVG: 4322200 -31.1966 46.9312 -52.808 48.406 -51.0526 -24.1135 -51.1022 -24.7039 75.3699 TIMING: 4322200 CPU: 12988.6, 0.00301236/step Wall: 12988.6, 0.00301236/step, 0.567161 hours remaining, 210.039062 MB of memory in use. ENERGY: 4322200 752.9566 2029.0749 1938.9364 108.2764 -205977.3588 17913.6272 0.0000 0.0000 34355.2524 -148879.2349 300.0330 -183234.4873 -148785.2279 300.0529 18.9714 49.3091 559928.2226 -2.3186 -2.2931 PRESSURE: 4322400 -58.3317 65.9313 19.6107 65.9305 142.346 52.9118 19.6124 52.9118 -92.7208 GPRESSURE: 4322400 -87.4553 -17.2307 -21.6887 -18.6572 173.866 73.7385 26.043 59.069 -4.38485 PRESSAVG: 4322400 64.3727 4.93549 33.9498 4.93548 -74.9174 24.3868 33.9499 24.3866 11.5843 GPRESSAVG: 4322400 63.9471 3.39235 35.8757 5.52738 -74.7038 23.5789 35.0686 22.1764 11.779 TIMING: 4322400 CPU: 12989.3, 0.00301542/step Wall: 12989.3, 0.00301542/step, 0.567569 hours remaining, 210.039062 MB of memory in use. ENERGY: 4322400 746.1958 2073.1226 1959.4462 101.1860 -205689.4680 17893.9735 0.0000 0.0000 34071.6064 -148843.9375 297.5558 -182915.5439 -148745.1257 299.7601 -2.9021 27.3420 560128.5834 0.3465 0.3407 PRESSURE: 4322600 -336.201 27.9783 -144 27.9783 71.4846 61.2343 -143.999 61.2344 -32.7785 GPRESSURE: 4322600 -307.6 106.975 -208.916 7.17152 134.979 23.2394 -30.2937 67.0254 -21.8995 PRESSAVG: 4322600 -26.6871 32.3372 -27.8277 32.3371 -33.5057 -26.5539 -27.8276 -26.5539 81.6487 GPRESSAVG: 4322600 -27.26 33.8615 -27.8596 32.0269 -33.5815 -26.6076 -28.5964 -25.6551 82.0705 TIMING: 4322600 CPU: 12989.8, 0.00298888/step Wall: 12989.8, 0.00298888/step, 0.562408 hours remaining, 210.039062 MB of memory in use. ENERGY: 4322600 730.4092 2084.7687 1925.8735 107.1913 -205558.7883 17517.0681 0.0000 0.0000 34415.2344 -148778.2430 300.5568 -183193.4774 -148687.3550 300.8502 -99.1649 -64.8401 559964.6606 7.1520 7.0763 PRESSURE: 4322800 -168.604 72.7996 103.952 72.7992 -63.5192 42.8029 103.952 42.8033 -54.6825 GPRESSURE: 4322800 -135.059 -1.18862 99.3671 111.262 -7.50869 91.9017 98.2059 10.6662 -49.3083 PRESSAVG: 4322800 -58.068 32.7022 13.3581 32.7022 -34.5747 5.14905 13.3581 5.14922 86.5502 GPRESSAVG: 4322800 -56.3861 31.3667 14.7411 32.2013 -35.7694 5.50657 10.9273 6.65205 86.5836 TIMING: 4322800 CPU: 12990.4, 0.00297064/step Wall: 12990.4, 0.00297064/step, 0.558811 hours remaining, 210.039062 MB of memory in use. ENERGY: 4322800 734.4642 2094.0640 1923.0182 112.3136 -205498.7937 17556.8020 0.0000 0.0000 34422.0277 -148656.1039 300.6161 -183078.1316 -148568.3917 301.0862 -95.6020 -63.9585 558449.4698 -2.0308 -1.8573 PRESSURE: 4323000 -87.3335 68.4481 -66.8271 68.4476 -156.595 86.2141 -66.8284 86.2151 -50.9251 GPRESSURE: 4323000 -51.9999 40.1086 -9.33521 35.1 -74.5829 53.2434 -63.9126 144 -77.9062 PRESSAVG: 4323000 2.80702 37.1937 -1.78579 37.1938 63.9406 17.0854 -1.78585 17.0854 -60.4119 GPRESSAVG: 4323000 2.65962 38.721 -1.13281 37.3101 64.4729 16.1437 -1.14954 15.6479 -61.1387 TIMING: 4323000 CPU: 12991, 0.00297458/step Wall: 12991, 0.00297458/step, 0.559386 hours remaining, 210.039062 MB of memory in use. ENERGY: 4323000 740.2977 2104.6974 1946.4469 110.7834 -205910.6582 17789.1986 0.0000 0.0000 34416.1784 -148803.0560 300.5650 -183219.2343 -148704.3287 300.7481 -98.2845 -68.1630 557992.8616 2.1119 1.9979 PRESSURE: 4323200 50.3584 -77.9511 117.801 -77.9517 108.808 -85.0495 117.803 -85.0486 153.612 GPRESSURE: 4323200 70.2063 -120.162 111.82 -83.1414 172.129 -31.1112 121.969 -66.4254 165.758 PRESSAVG: 4323200 -6.49063 37.0574 20.3088 37.0574 54.9034 -18.3448 20.3088 -18.3448 -50.6048 GPRESSAVG: 4323200 -8.41341 37.496 18.751 37.908 56.6633 -17.6196 22.2912 -18.969 -50.1974 TIMING: 4323200 CPU: 12991.6, 0.00296163/step Wall: 12991.6, 0.00296163/step, 0.556787 hours remaining, 210.039062 MB of memory in use. ENERGY: 4323200 686.2183 2110.3333 1959.3682 121.5793 -205825.6077 17840.0067 0.0000 0.0000 34210.9751 -148897.1268 298.7730 -183108.1018 -148800.1802 300.0399 104.2598 136.0311 557209.0752 -0.7307 -0.6492 PRESSURE: 4323400 163.717 117.31 51.4093 117.31 255.679 124.683 51.4104 124.683 82.0875 GPRESSURE: 4323400 272.527 130.53 122.318 109.672 246.19 43.54 118.985 119.193 90.1101 PRESSAVG: 4323400 -33.0759 -14.3369 66.8307 -14.337 87.2189 -19.1844 66.8308 -19.1843 -32.9505 GPRESSAVG: 4323400 -31.9597 -15.578 65.1679 -14.9957 86.0738 -19.5168 67.985 -17.8219 -32.5397 TIMING: 4323400 CPU: 12992.2, 0.002972/step Wall: 12992.2, 0.002972/step, 0.558572 hours remaining, 210.039062 MB of memory in use. ENERGY: 4323400 756.7978 2129.2188 1934.7867 104.2944 -205824.6749 17725.5515 0.0000 0.0000 34297.3901 -148876.6356 299.5276 -183174.0256 -148782.2258 300.1078 167.1611 202.9423 556698.9942 7.0641 7.1914 PRESSURE: 4323600 253.695 -145.597 -10.4075 -145.596 -40.8865 -87.5297 -10.407 -87.5296 149.54 GPRESSURE: 4323600 280.984 -61.2156 5.07298 -98.0701 11.3397 -69.9357 -66.6046 -105.94 170.943 PRESSAVG: 4323600 -8.67872 -8.46253 8.37203 -8.46249 -28.7798 -10.0468 8.372 -10.0468 -8.01766 GPRESSAVG: 4323600 -7.85796 -8.31366 9.30564 -8.89351 -28.8412 -8.90606 8.21733 -12.0765 -8.30496 TIMING: 4323600 CPU: 12992.8, 0.00299398/step Wall: 12992.8, 0.00299398/step, 0.562536 hours remaining, 210.039062 MB of memory in use. ENERGY: 4323600 727.4203 2122.7273 1928.4581 126.9266 -205969.3203 17936.4964 0.0000 0.0000 34145.5854 -148981.7062 298.2019 -183127.2916 -148885.6150 299.7778 120.7827 154.4222 557945.5497 -15.1587 -15.0014 PRESSURE: 4323800 -60.763 -114.142 -53.0451 -114.143 64.8348 -127.916 -53.0451 -127.915 25.0274 GPRESSURE: 4323800 -8.67104 -82.4702 48.2819 -120.033 95.7373 -101.869 -94.9932 -193.243 35.7169 PRESSAVG: 4323800 5.82982 -39.399 30.7088 -39.3991 50.6438 -23.5993 30.7088 -23.5991 -58.9292 GPRESSAVG: 4323800 4.29028 -41.1028 32.0328 -40.2194 52.4762 -24.7695 30.1435 -22.3375 -58.4391 TIMING: 4323800 CPU: 12993.4, 0.00298035/step Wall: 12993.4, 0.00298035/step, 0.55981 hours remaining, 210.039062 MB of memory in use. ENERGY: 4323800 748.0698 2115.5427 1930.1007 115.4965 -205968.8090 17602.3022 0.0000 0.0000 34519.4486 -148937.8486 301.4669 -183457.2972 -148845.7943 300.2017 9.6997 40.9277 556596.0789 -0.8185 -0.5575 PRESSURE: 4324000 -106.364 -176.552 -160.03 -176.552 -154.619 93.1282 -160.031 93.1285 -83.0999 GPRESSURE: 4324000 -94.8229 -188.862 -37.0938 -167.869 -122.128 226.859 -144.878 92.1056 -25.1096 PRESSAVG: 4324000 -84.2742 -15.4533 -3.08908 -15.4532 -47.7287 -9.05957 -3.08906 -9.05946 70.1698 GPRESSAVG: 4324000 -84.4552 -13.7352 -3.61447 -12.7641 -48.3782 -8.93689 -2.80922 -9.35256 70.8119 TIMING: 4324000 CPU: 12994, 0.00298645/step Wall: 12994, 0.00298645/step, 0.56079 hours remaining, 210.039062 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: 4324000 773.5024 2111.9877 1952.5316 98.1904 -206037.5699 17640.1911 0.0000 0.0000 34564.4935 -148896.6732 301.8603 -183461.1667 -148806.5006 300.2200 -114.6944 -80.6868 557562.1977 -20.6110 -20.6738 PRESSURE: 4324200 -174.633 -3.57569 22.5674 -3.57548 191.088 101.602 22.5667 101.602 -211.108 GPRESSURE: 4324200 -150.285 -29.8098 -18.4323 -108.013 205.215 108.446 58.2677 48.1706 -152.051 PRESSAVG: 4324200 -22.7551 -0.903853 -7.03245 -0.903937 -3.70014 -8.07011 -7.03259 -8.07017 20.0321 GPRESSAVG: 4324200 -23.0133 -1.40643 -7.18632 -0.891432 -3.49127 -6.72572 -7.99769 -9.43998 19.3353 TIMING: 4324200 CPU: 12994.6, 0.00297183/step Wall: 12994.6, 0.00297183/step, 0.557879 hours remaining, 210.039062 MB of memory in use. ENERGY: 4324200 741.6874 2076.6851 1986.7864 105.9591 -205763.0976 17659.8981 0.0000 0.0000 34349.3805 -148842.7010 299.9817 -183192.0814 -148745.5610 300.3102 -64.8845 -32.3739 558472.0844 -2.1410 -2.3898 LDB: ============= START OF LOAD BALANCING ============== 12998.1 LDB: ============== END OF LOAD BALANCING =============== 12998.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12998.1 LDB: ============= START OF LOAD BALANCING ============== 12998.4 LDB: Largest compute 4802 load 0.026983 is 22.8% of average load 0.118151 LDB: Average compute 0.001731 is 1.5% of average load 0.118151 LDB: TIME 12998.4 LOAD: AVG 0.118151 MAX 0.208763 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.973 MB LDB: TIME 12998.4 LOAD: AVG 0.118151 MAX 0.208763 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.031 MB LDB: TIME 12998.4 LOAD: AVG 0.118151 MAX 0.208763 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.031 MB LDB: ============== END OF LOAD BALANCING =============== 12998.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12998.4 PRESSURE: 4324400 -86.4868 6.59011 -53.758 6.5889 274.081 59.3924 -53.7573 59.3935 -94.9489 GPRESSURE: 4324400 -4.1359 33.6676 -16.5909 14.0026 243.023 98.0663 -41.9863 4.71194 -46.0063 PRESSAVG: 4324400 -23.5316 -25.4759 -18.882 -25.476 77.3441 -47.4069 -18.8821 -47.4069 -63.484 GPRESSAVG: 4324400 -23.2541 -25.0366 -17.7887 -27.3162 76.2661 -49.0987 -19.3304 -45.9779 -62.6756 TIMING: 4324400 CPU: 12995.2, 0.00302128/step Wall: 12995.2, 0.00302128/step, 0.566993 hours remaining, 208.042969 MB of memory in use. ENERGY: 4324400 751.6324 2145.5289 1896.3480 112.0254 -206085.5000 17885.5388 0.0000 0.0000 34393.3158 -148901.1107 300.3654 -183294.4265 -148802.0874 300.2384 30.8816 64.2936 557752.5690 -3.2238 -3.2212 PRESSURE: 4324600 24.2244 -211.087 -65.2853 -211.088 334.302 -1.5072 -65.2851 -1.50661 -266.145 GPRESSURE: 4324600 51.9766 -237.923 -24.0296 -86.4852 376.198 -32.6538 -12.0624 44.2871 -232.718 PRESSAVG: 4324600 -6.27836 -35.6099 -35.0014 -35.61 47.5796 1.79069 -35.0013 1.7906 -10.6347 GPRESSAVG: 4324600 -6.04321 -35.4264 -34.9878 -35.7308 48.7293 3.76228 -35.6177 0.562313 -11.6487 TIMING: 4324600 CPU: 12995.8, 0.00297291/step Wall: 12995.8, 0.00297291/step, 0.557752 hours remaining, 208.246094 MB of memory in use. ENERGY: 4324600 742.4508 2070.6508 1940.1494 111.4470 -206006.1670 17754.4470 0.0000 0.0000 34451.3561 -148935.6658 300.8723 -183387.0220 -148835.1096 299.8479 30.7940 65.1522 557807.8641 10.2222 10.3458 PRESSURE: 4324800 -229.024 -23.6565 -73.9373 -23.657 -13.1127 -127.27 -73.9374 -127.269 -117.324 GPRESSURE: 4324800 -207.62 6.67776 -107.67 -64.4001 -29.5265 -102.549 -57.2277 -103.506 -30.0157 PRESSAVG: 4324800 -62.5653 -22.8933 3.62947 -22.8933 29.8434 -22.252 3.62946 -22.2521 12.2652 GPRESSAVG: 4324800 -63.1878 -24.6088 2.63057 -22.1612 29.5947 -23.829 4.50256 -19.3398 12.8486 TIMING: 4324800 CPU: 12996.4, 0.00299971/step Wall: 12996.4, 0.00299971/step, 0.562612 hours remaining, 208.246094 MB of memory in use. ENERGY: 4324800 735.8510 2052.0917 1956.6850 116.6177 -205966.1017 17686.2966 0.0000 0.0000 34560.9988 -148857.5610 301.8298 -183418.5598 -148756.7415 300.2511 -119.8201 -89.0542 557708.5755 -6.8189 -6.9148 PRESSURE: 4325000 -284.747 71.9412 -9.3529 71.9421 -229.444 -99.9188 -9.35312 -99.9189 -321.932 GPRESSURE: 4325000 -267.586 34.6926 -8.70595 51.3564 -164.577 -79.8203 -11.1337 -185.663 -314.844 PRESSAVG: 4325000 -81.2993 59.2997 1.75514 59.2996 54.4701 28.2742 1.75522 28.2742 -5.38783 GPRESSAVG: 4325000 -80.6471 61.2368 3.32927 58.0713 53.8664 27.6267 0.781172 27.4018 -5.62237 TIMING: 4325000 CPU: 12997, 0.00301952/step Wall: 12997, 0.00301952/step, 0.566161 hours remaining, 208.246094 MB of memory in use. ENERGY: 4325000 752.1829 2088.9213 1970.9246 118.5566 -205649.4818 17351.4026 0.0000 0.0000 34314.2620 -149053.2318 299.6750 -183367.4938 -148960.9916 299.5100 -278.7077 -249.0024 557556.6847 -10.7390 -10.8010 PRESSURE: 4325200 231.529 44.1431 -127.017 44.1412 262.77 -60.0776 -127.016 -60.0774 43.1137 GPRESSURE: 4325200 282.245 -3.8236 -40.7117 -39.487 281.209 -40.5284 -164.757 10.0626 69.9797 PRESSAVG: 4325200 67.0378 15.2908 0.967103 15.2908 -34.8281 3.57127 0.967083 3.57136 -2.32393 GPRESSAVG: 4325200 66.4791 12.2825 0.467467 15.8221 -34.9739 4.00092 1.67532 3.31952 -2.1307 TIMING: 4325200 CPU: 12997.6, 0.00302376/step Wall: 12997.6, 0.00302376/step, 0.566787 hours remaining, 208.246094 MB of memory in use. ENERGY: 4325200 727.6980 2061.5100 1943.2321 115.3899 -205883.1436 17868.0618 0.0000 0.0000 34059.1148 -149108.1370 297.4467 -183167.2519 -149003.4411 299.6187 179.1374 211.1445 556542.6988 9.9619 9.7915 PRESSURE: 4325400 69.7893 67.409 -178.504 67.4095 -51.3481 -293.021 -178.503 -293.022 -358.038 GPRESSURE: 4325400 52.0014 38.9175 -244.654 75.6533 -23.2527 -279.321 -205.191 -333.707 -267.432 PRESSAVG: 4325400 24.0985 3.74319 -26.2329 3.74309 1.11661 -44.9776 -26.2329 -44.9773 1.12051 GPRESSAVG: 4325400 23.6844 5.69766 -28.5567 4.04926 1.19895 -46.1874 -24.3323 -43.8121 1.24643 TIMING: 4325400 CPU: 12998.2, 0.00300399/step Wall: 12998.2, 0.00300399/step, 0.562914 hours remaining, 208.246094 MB of memory in use. ENERGY: 4325400 747.8594 2062.9876 1952.5684 113.6526 -205507.1238 17612.9687 0.0000 0.0000 34201.4746 -148815.6124 298.6900 -183017.0870 -148718.6006 299.4040 -113.1990 -79.5610 557494.5801 8.7785 8.7099 PRESSURE: 4325600 26.7572 137.665 5.89741 137.666 -0.588669 -7.74522 5.89757 -7.7455 207.381 GPRESSURE: 4325600 37.4561 113.281 23.8729 94.5802 47.9427 43.7604 -35.6235 -28.6409 249.609 PRESSAVG: 4325600 30.8329 15.8456 -13.6527 15.8457 -15.8311 -24.5819 -13.6527 -24.5818 -31.3976 GPRESSAVG: 4325600 31.302 14.6095 -12.057 15.4631 -15.5705 -23.8596 -14.1995 -24.5675 -31.8469 TIMING: 4325600 CPU: 12998.8, 0.00296623/step Wall: 12998.8, 0.00296623/step, 0.555674 hours remaining, 208.246094 MB of memory in use. ENERGY: 4325600 749.4209 2081.9225 1941.5569 117.0504 -205791.1759 17761.0391 0.0000 0.0000 34169.1390 -148971.0472 298.4076 -183140.1863 -148885.0099 299.9895 77.8500 111.6694 556403.8241 -5.4653 -5.3718 PRESSURE: 4325800 -8.61511 -127.406 116.101 -127.406 -23.2632 -156.487 116.101 -156.487 258.309 GPRESSURE: 4325800 40.0048 -67.0265 123.75 -100.362 1.79372 -155.612 150.195 -108.711 282.096 PRESSAVG: 4325800 -12.7513 -36.1739 -10.8775 -36.1739 -2.11691 18.2421 -10.8775 18.2422 17.9308 GPRESSAVG: 4325800 -12.0628 -34.6457 -12.1673 -35.5935 -2.32866 19.7838 -9.52278 16.2963 17.9527 TIMING: 4325800 CPU: 12999.4, 0.00299998/step Wall: 12999.4, 0.00299998/step, 0.56183 hours remaining, 208.246094 MB of memory in use. ENERGY: 4325800 703.3795 2071.0945 1965.2594 116.5602 -205928.1320 17806.4183 0.0000 0.0000 34189.3483 -149076.0718 298.5841 -183265.4200 -148970.2836 299.7473 75.4771 107.9647 557088.8153 1.0209 1.1871 PRESSURE: 4326000 -305.359 102.446 202.605 102.447 -277.984 263.074 202.604 263.073 -39.8044 GPRESSURE: 4326000 -304.79 112.908 81.0471 221.137 -224.925 333.043 264.082 246.758 -4.7303 PRESSAVG: 4326000 -43.7527 -21.8841 29.6407 -21.8841 -5.93462 60.08 29.6408 60.08 66.2184 GPRESSAVG: 4326000 -42.6768 -24.8317 31.0518 -21.974 -7.73107 57.8612 27.2651 59.7703 66.5198 TIMING: 4326000 CPU: 13000, 0.00297466/step Wall: 13000, 0.00297466/step, 0.556922 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: 4326000 758.6827 2050.3484 1979.6741 114.7741 -205595.3019 17330.8961 0.0000 0.0000 34294.2922 -149066.6342 299.5006 -183360.9264 -148969.7560 299.7170 -207.7158 -178.1484 558953.9436 5.5104 5.3707 PRESSURE: 4326200 168.592 -59.1792 108.728 -59.1781 -183.887 55.2867 108.729 55.2877 -99.737 GPRESSURE: 4326200 143.913 -51.9995 123.662 -118.543 -143.072 64.2338 162.112 42.3533 -18.5866 PRESSAVG: 4326200 58.102 -21.3144 -0.771795 -21.3144 -52.074 -59.3748 -0.771692 -59.3748 9.31775 GPRESSAVG: 4326200 57.3911 -19.2381 -1.91101 -22.0866 -50.8292 -58.5842 0.980943 -59.9194 9.2683 TIMING: 4326200 CPU: 13000.6, 0.00296028/step Wall: 13000.6, 0.00296028/step, 0.554065 hours remaining, 208.246094 MB of memory in use. ENERGY: 4326200 692.4131 2106.8511 1955.3076 115.1488 -205847.9564 17754.9485 0.0000 0.0000 34308.3557 -148914.9317 299.6234 -183223.2874 -148824.4986 299.8785 -38.3441 -5.9151 557860.9734 5.1152 5.2767 PRESSURE: 4326400 17.0182 -123.758 -20.1834 -123.758 77.8102 -80.3097 -20.1841 -80.3094 -78.7524 GPRESSURE: 4326400 97.5958 -27.9759 -67.4758 -136.989 41.7619 -110.869 -8.61785 -89.9654 -28.3058 PRESSAVG: 4326400 39.2424 6.85518 -15.7798 6.85524 -51.2523 -39.7233 -15.7797 -39.7234 -0.287314 GPRESSAVG: 4326400 39.6385 6.2698 -14.9735 8.37634 -50.7349 -42.1027 -15.6318 -37.2422 -0.562133 TIMING: 4326400 CPU: 13001.2, 0.00299966/step Wall: 13001.2, 0.00299966/step, 0.561269 hours remaining, 208.246094 MB of memory in use. ENERGY: 4326400 743.7970 2096.1907 1956.1759 124.0623 -205985.4103 17805.9670 0.0000 0.0000 34245.5048 -149013.7127 299.0745 -183259.2175 -148928.0326 299.7145 5.3587 37.0173 557840.0737 -4.0991 -3.8862 PRESSURE: 4326600 -118.247 -49.5632 -76.6775 -49.5637 140.531 30.9188 -76.6775 30.9189 -37.7793 GPRESSURE: 4326600 -63.4019 -33.5563 -103.058 -78.503 168.147 66.4923 -89.8066 -7.28652 -21.1762 PRESSAVG: 4326600 19.7042 36.6666 -40.9878 36.6665 60.3957 26.6177 -40.9878 26.6178 -42.5902 GPRESSAVG: 4326600 19.2411 37.7372 -41.0398 35.2415 60.8272 27.5836 -41.9228 26.8073 -42.3953 TIMING: 4326600 CPU: 13001.8, 0.00298496/step Wall: 13001.8, 0.00298496/step, 0.558353 hours remaining, 208.246094 MB of memory in use. ENERGY: 4326600 772.8999 2079.7246 1945.7155 122.2390 -206090.3284 17706.8751 0.0000 0.0000 34452.8265 -149010.0479 300.8851 -183462.8744 -148918.2962 299.9636 -5.1650 27.8563 555634.7452 12.5032 12.5576 PRESSURE: 4326800 130.211 -46.8472 -126.588 -46.8465 103.058 -38.7331 -126.587 -38.7344 -29.9871 GPRESSURE: 4326800 245.879 95.7611 -71.5884 -103.09 55.0349 -13.8529 -101.467 -111.467 -0.3612 PRESSAVG: 4326800 -26.4367 12.7938 -4.46551 12.7938 0.174443 -5.42248 -4.46552 -5.42254 -22.4259 GPRESSAVG: 4326800 -26.6446 11.7154 -2.37438 12.2795 -0.659345 -4.81591 -4.89059 -6.64016 -21.8652 TIMING: 4326800 CPU: 13002.4, 0.00299481/step Wall: 13002.4, 0.00299481/step, 0.560029 hours remaining, 208.246094 MB of memory in use. ENERGY: 4326800 746.9816 2042.3884 1945.1054 97.5325 -206088.5234 17906.2236 0.0000 0.0000 34420.6708 -148929.6212 300.6043 -183350.2920 -148838.6343 300.2288 67.7607 100.1841 557788.8496 -16.2294 -16.3897 PRESSURE: 4327000 264.712 226.966 47.6235 226.966 181.311 -17.6084 47.6237 -17.6082 -86.3036 GPRESSURE: 4327000 273.624 195.289 82.449 271.767 217.708 90.9863 -74.2869 -26.8069 -52.3171 PRESSAVG: 4327000 13.2651 14.839 17.1009 14.8389 -65.929 -53.6406 17.1009 -53.6406 39.3913 GPRESSAVG: 4327000 12.5875 14.9188 14.8444 14.8598 -64.6243 -52.9815 17.7017 -54.6963 38.3879 TIMING: 4327000 CPU: 13003, 0.00299604/step Wall: 13003, 0.00299604/step, 0.560093 hours remaining, 208.246094 MB of memory in use. ENERGY: 4327000 720.9800 2088.3891 1943.0460 117.2342 -205875.4287 17784.8079 0.0000 0.0000 34293.3113 -148927.6603 299.4920 -183220.9716 -148831.3799 300.2167 119.9065 146.3385 556620.2684 -4.4242 -4.5496 PRESSURE: 4327200 -163.639 -36.8044 -25.1039 -36.8046 -32.5386 -120.065 -25.1051 -120.063 -14.7484 GPRESSURE: 4327200 -94.5225 -36.3306 10.4267 -27.0287 -40.5714 -42.7517 -62.5562 -146.703 21.8537 PRESSAVG: 4327200 -34.8312 -63.9511 7.32476 -63.9511 33.768 -47.3144 7.32467 -47.3144 9.65419 GPRESSAVG: 4327200 -33.4585 -63.4896 7.79381 -60.8968 33.0634 -47.3598 5.89715 -45.6884 9.5671 TIMING: 4327200 CPU: 13003.6, 0.00300216/step Wall: 13003.6, 0.00300216/step, 0.561071 hours remaining, 208.246094 MB of memory in use. ENERGY: 4327200 721.2817 2089.1322 1942.4042 107.9529 -205565.1541 17673.3635 0.0000 0.0000 34042.1533 -148988.8662 297.2986 -183031.0195 -148886.3719 299.3536 -70.3087 -37.7467 558731.8607 2.8637 3.0573 PRESSURE: 4327400 84.9158 -104.766 109.425 -104.766 180.844 59.872 109.425 59.8726 -73.3657 GPRESSURE: 4327400 84.2174 -31.9127 -3.16909 -53.2223 232.297 167.735 188.504 -10.2668 -29.9839 PRESSAVG: 4327400 -109.122 -41.4292 4.75717 -41.4293 42.373 -0.682483 4.75717 -0.682448 62.0983 GPRESSAVG: 4327400 -109.768 -42.5274 4.99716 -41.58 41.7829 -0.748608 4.81531 -0.606997 63.1839 TIMING: 4327400 CPU: 13004.2, 0.00299556/step Wall: 13004.2, 0.00299556/step, 0.559671 hours remaining, 208.246094 MB of memory in use. ENERGY: 4327400 725.6345 2130.6065 1967.2235 103.5935 -206032.6641 17794.4716 0.0000 0.0000 34315.3157 -148995.8188 299.6842 -183311.1345 -148898.5186 299.4924 64.1314 95.5101 558616.7485 -1.5502 -1.6004 PRESSURE: 4327600 -342.612 -92.8766 37.9684 -92.8778 -95.7369 -22.0774 37.9677 -22.0769 -296.604 GPRESSURE: 4327600 -326.362 -180.629 56.5585 -64.2115 -25.0557 -20.1995 89.3948 -41.5345 -286.391 PRESSAVG: 4327600 -44.7315 -31.0671 -63.9051 -31.0671 60.1762 -48.7599 -63.9051 -48.7599 -26.3849 GPRESSAVG: 4327600 -44.7283 -31.265 -63.7667 -32.5549 60.189 -50.7677 -63.8192 -47.8426 -26.7427 TIMING: 4327600 CPU: 13004.8, 0.00300312/step Wall: 13004.8, 0.00300312/step, 0.560916 hours remaining, 208.246094 MB of memory in use. ENERGY: 4327600 748.7844 2082.0211 1932.9333 102.6673 -205350.4573 17348.9295 0.0000 0.0000 34209.6535 -148925.4683 298.7614 -183135.1218 -148829.9266 300.0659 -244.9843 -212.6030 560229.9276 -3.6467 -3.7607 PRESSURE: 4327800 -279.177 -78.2744 12.6043 -78.2745 12.6619 93.7856 12.6038 93.7848 73.1494 GPRESSURE: 4327800 -182.126 -96.3391 26.5913 -64.7616 2.11742 37.0746 -38.658 42.8827 77.078 PRESSAVG: 4327800 -2.35235 -66.4826 25.4017 -66.4825 56.7002 16.5695 25.4016 16.5697 -73.4919 GPRESSAVG: 4327800 -1.48939 -66.0505 25.0892 -65.0081 56.0208 17.8224 25.596 16.7041 -73.8491 TIMING: 4327800 CPU: 13005.4, 0.00299629/step Wall: 13005.4, 0.00299629/step, 0.559473 hours remaining, 208.246094 MB of memory in use. ENERGY: 4327800 766.6649 2089.6718 1900.3382 124.8105 -206052.9886 17774.6578 0.0000 0.0000 34407.0463 -148989.7990 300.4853 -183396.8453 -148883.7970 299.7449 -64.4552 -34.3103 558761.2927 -6.3814 -6.4392 PRESSURE: 4328000 173.539 -114.838 -2.80611 -114.838 -155.744 42.7709 -2.80541 42.7704 32.8004 GPRESSURE: 4328000 194.743 -79.0587 74.439 -118.632 -97.0491 -13.1845 -14.5832 51.3734 45.5421 PRESSAVG: 4328000 33.3931 -53.645 19.3962 -53.645 36.1918 17.7744 19.3962 17.7743 -8.34235 GPRESSAVG: 4328000 33.7956 -53.2206 19.0456 -55.0196 37.0697 17.3529 21.5279 17.0156 -9.29815 TIMING: 4328000 CPU: 13006, 0.00300639/step Wall: 13006, 0.00300639/step, 0.561194 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: 4328000 723.2734 2074.7240 1899.0536 110.0774 -205736.0118 17745.7808 0.0000 0.0000 34208.8010 -148974.3015 298.7540 -183183.1026 -148881.0065 299.7291 16.8653 47.7454 559691.7633 20.4142 20.5224 PRESSURE: 4328200 -77.0732 -160.291 -105.902 -160.291 -35.2437 -151.763 -105.9 -151.761 -29.316 GPRESSURE: 4328200 -80.5823 -102.063 -113.406 -200.517 11.9768 -196.844 -39.5325 -60.4319 16.0136 PRESSAVG: 4328200 -32.189 -47.2811 6.66841 -47.2811 40.7149 -3.24154 6.66831 -3.2415 3.64905 GPRESSAVG: 4328200 -33.1881 -45.7527 7.22246 -48.9898 41.9095 -0.546004 4.49596 -3.00518 4.17481 TIMING: 4328200 CPU: 13006.6, 0.00298368/step Wall: 13006.6, 0.00298368/step, 0.556789 hours remaining, 208.246094 MB of memory in use. ENERGY: 4328200 740.9900 2087.6680 1926.2909 128.5232 -205671.0173 17574.7504 0.0000 0.0000 34252.0337 -148960.7611 299.1315 -183212.7948 -148861.6477 299.9278 -47.2110 -17.5306 558415.7393 4.0583 4.2988 LDB: ============= START OF LOAD BALANCING ============== 13010.1 LDB: ============== END OF LOAD BALANCING =============== 13010.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13010.1 LDB: ============= START OF LOAD BALANCING ============== 13010.4 LDB: Largest compute 4802 load 0.028256 is 23.9% of average load 0.118217 LDB: Average compute 0.001730 is 1.5% of average load 0.118217 LDB: TIME 13010.4 LOAD: AVG 0.118217 MAX 0.207845 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.965 MB LDB: TIME 13010.4 LOAD: AVG 0.118217 MAX 0.207845 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.168 MB LDB: TIME 13010.4 LOAD: AVG 0.118217 MAX 0.207845 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.168 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13010.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13010.4 PRESSURE: 4328400 78.8319 69.8662 -200.274 69.8662 -32.5256 42.1549 -200.275 42.1542 429.738 GPRESSURE: 4328400 125.778 75.6438 -237.572 80.1182 11.9911 9.65307 -80.7744 66.2118 442.217 PRESSAVG: 4328400 -50.5225 -35.3603 -18.7921 -35.3604 50.6514 -22.3304 -18.7921 -22.3303 -25.8216 GPRESSAVG: 4328400 -49.9522 -36.5746 -19.9402 -33.8572 49.8256 -22.9661 -18.7143 -22.2277 -25.5635 TIMING: 4328400 CPU: 13007.2, 0.00301248/step Wall: 13007.2, 0.00301248/step, 0.561994 hours remaining, 207.339844 MB of memory in use. ENERGY: 4328400 757.1145 2030.9194 1933.5113 106.9533 -206202.0157 18083.0050 0.0000 0.0000 34373.5030 -148917.0093 300.1924 -183290.5123 -148825.2433 300.0980 158.6813 193.3288 556250.9012 -8.5642 -8.5634 PRESSURE: 4328600 30.2267 9.2828 110.192 9.28185 31.474 -79.5664 110.193 -79.5652 76.5193 GPRESSURE: 4328600 63.7359 42.1941 39.625 -118.837 99.6875 -19.4175 105.851 -84.0324 64.296 PRESSAVG: 4328600 -1.75835 -33.3787 -32.0502 -33.3786 14.3732 4.24341 -32.0502 4.24353 -18.2294 GPRESSAVG: 4328600 -2.41445 -35.7522 -31.8947 -31.7269 14.5255 4.71553 -30.3873 2.65491 -18.22 TIMING: 4328600 CPU: 13007.8, 0.00298843/step Wall: 13007.8, 0.00298843/step, 0.557342 hours remaining, 207.339844 MB of memory in use. ENERGY: 4328600 749.4402 2091.8575 1924.7515 115.7921 -205870.2980 17759.2035 0.0000 0.0000 34119.2717 -149109.9815 297.9721 -183229.2531 -149016.7195 299.4603 46.0733 75.9064 556333.4781 -1.8715 -2.0363 PRESSURE: 4328800 -206.704 -186.442 -109.492 -186.443 -94.7334 -45.1192 -109.492 -45.1184 139.944 GPRESSURE: 4328800 -118.324 -190.94 -47.3207 -206.633 -79.8269 -19.4943 -54.9845 -53.134 143.154 PRESSAVG: 4328800 -3.72272 23.1582 27.1714 23.1581 19.3855 -4.26762 27.1715 -4.26764 14.205 GPRESSAVG: 4328800 -3.57623 24.8731 28.1898 22.4612 19.746 -5.69529 26.431 -3.55738 13.7856 TIMING: 4328800 CPU: 13008.4, 0.00299638/step Wall: 13008.4, 0.00299638/step, 0.558658 hours remaining, 207.339844 MB of memory in use. ENERGY: 4328800 762.9799 2033.2736 1951.0761 107.3889 -206230.5468 17744.4582 0.0000 0.0000 34489.1810 -149142.1891 301.2026 -183631.3702 -149051.4800 299.3643 -53.8310 -18.3323 555085.5934 9.9559 9.9851 PRESSURE: 4329000 21.5032 -129.169 21.3599 -129.17 -83.9482 -81.388 21.3613 -81.388 -71.8412 GPRESSURE: 4329000 -15.9381 -253.75 18.1991 -78.438 -52.2476 -132.865 94.3707 -24.0415 35.0243 PRESSAVG: 4329000 -12.3276 -23.528 28.9835 -23.528 -47.1313 -63.6923 28.9834 -63.6922 18.2726 GPRESSAVG: 4329000 -13.1645 -23.7983 28.6015 -23.6961 -47.3683 -63.0987 28.4851 -62.9111 19.1297 TIMING: 4329000 CPU: 13009, 0.00299021/step Wall: 13009, 0.00299021/step, 0.557341 hours remaining, 207.339844 MB of memory in use. ENERGY: 4329000 737.5713 2091.9804 1947.5877 118.6636 -206085.4397 17636.4849 0.0000 0.0000 34483.6985 -149069.4532 301.1547 -183553.1517 -148978.2141 299.6867 -44.7621 -11.0538 555388.5691 -13.7288 -13.8010 PRESSURE: 4329200 -12.0104 -12.0046 50.1926 -12.0029 -75.9516 50.8254 50.1924 50.8261 -196.359 GPRESSURE: 4329200 -43.9027 43.4234 36.044 -96.8298 -15.6159 108.75 39.7384 51.1525 -126.497 PRESSAVG: 4329200 -9.13235 -30.8012 4.72845 -30.8013 -3.16915 32.2951 4.72848 32.295 55.0362 GPRESSAVG: 4329200 -8.37499 -31.1591 5.07645 -30.1994 -3.6015 31.3742 4.93944 32.5055 54.0903 TIMING: 4329200 CPU: 13009.6, 0.00299526/step Wall: 13009.6, 0.00299526/step, 0.558117 hours remaining, 207.406250 MB of memory in use. ENERGY: 4329200 793.7488 1996.1094 1944.7320 117.7040 -205952.7518 17657.0646 0.0000 0.0000 34428.6667 -149014.7262 300.6741 -183443.3929 -148915.8833 300.2918 -94.7738 -62.0053 556719.4127 14.2449 14.0379 PRESSURE: 4329400 -135.981 172.99 -125.119 172.99 -172.657 229.939 -125.119 229.938 -233.026 GPRESSURE: 4329400 -146.805 200.972 -134.007 166.218 -118.4 130.429 -73.7311 273.013 -180.662 PRESSAVG: 4329400 7.31912 3.4769 -49.6385 3.47685 55.996 47.1417 -49.6384 47.1417 -53.4366 GPRESSAVG: 4329400 7.42698 4.46883 -50.9043 2.58037 55.3663 46.9725 -48.8663 48.8886 -53.095 TIMING: 4329400 CPU: 13010.2, 0.00299288/step Wall: 13010.2, 0.00299288/step, 0.557506 hours remaining, 207.406250 MB of memory in use. ENERGY: 4329400 760.8313 2057.0785 1945.1237 116.5286 -205840.7178 17524.9769 0.0000 0.0000 34361.8180 -149074.3610 300.0903 -183436.1790 -148971.7321 299.7315 -180.5546 -148.6227 558395.9512 3.2928 3.2328 PRESSURE: 4329600 179.846 -48.7848 -14.6981 -48.7839 46.3417 108.217 -14.6989 108.217 -91.1091 GPRESSURE: 4329600 212.406 -150.506 -112.42 60.5065 58.3947 99.8186 -12.9034 72.543 -41.1631 PRESSAVG: 4329600 26.5992 50.5687 -31.9062 50.5688 -8.13712 -24.7406 -31.9062 -24.7407 -28.9329 GPRESSAVG: 4329600 25.6185 50.9785 -30.1896 50.1929 -7.40521 -23.0915 -33.3126 -28.168 -28.8488 TIMING: 4329600 CPU: 13010.8, 0.00303408/step Wall: 13010.8, 0.00303408/step, 0.565013 hours remaining, 207.406250 MB of memory in use. ENERGY: 4329600 777.9277 2044.1500 1926.8573 106.8505 -206343.0457 17943.6404 0.0000 0.0000 34355.1683 -149188.4515 300.0322 -183543.6198 -149096.2484 299.6783 45.0261 76.5459 556246.5520 -3.4902 -3.5452 PRESSURE: 4329800 -202.063 -41.5563 -74.7868 -41.5557 -279.887 -114.948 -74.7869 -114.948 -224.63 GPRESSURE: 4329800 -203.847 -41.18 -62.5819 -87.9551 -233.129 -38.7507 -40.6197 -103.326 -184.982 PRESSAVG: 4329800 54.0444 -4.11406 -11.146 -4.11395 -6.50736 -12.6602 -11.1461 -12.6601 -60.9732 GPRESSAVG: 4329800 54.3724 -5.78452 -13.1352 -3.25644 -7.176 -14.0834 -9.45883 -11.7451 -60.6521 TIMING: 4329800 CPU: 13011.4, 0.00303089/step Wall: 13011.4, 0.00303089/step, 0.56425 hours remaining, 207.406250 MB of memory in use. ENERGY: 4329800 756.1187 2051.4499 1953.7958 122.5490 -205528.6713 17304.8599 0.0000 0.0000 34263.1676 -149076.7306 299.2288 -183339.8982 -148984.6484 299.5746 -235.5265 -207.3195 557719.1476 -4.4787 -4.4852 PRESSURE: 4330000 -12.1177 98.654 153.738 98.6556 -107.104 69.4839 153.739 69.4841 10.429 GPRESSURE: 4330000 9.46071 90.404 87.1047 99.077 -102.212 26.4098 187.433 -72.0693 63.6006 PRESSAVG: 4330000 60.488 47.4946 7.71083 47.4946 -26.8031 -7.9493 7.71082 -7.94935 -40.0796 GPRESSAVG: 4330000 60.3308 47.8324 7.5479 46.0422 -26.1746 -7.95896 8.25546 -8.08897 -39.9036 TIMING: 4330000 CPU: 13012, 0.00298962/step Wall: 13012, 0.00298962/step, 0.556401 hours remaining, 207.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4330000 730.5457 2078.7374 1954.9255 102.5145 -205875.4216 17609.2696 0.0000 0.0000 34345.2955 -149054.1334 299.9460 -183399.4289 -148958.5854 299.6049 -36.2644 -9.7169 557542.4345 -2.1316 -1.9158 PRESSURE: 4330200 95.9504 -186.144 130.312 -186.145 373.263 75.6901 130.311 75.6899 -32.9007 GPRESSURE: 4330200 173.834 -154.321 73.313 -211.625 355.193 32.83 156.766 108.035 11.3057 PRESSAVG: 4330200 -37.2996 -5.55447 32.3649 -5.55449 37.6408 -22.5096 32.3649 -22.5096 41.3929 GPRESSAVG: 4330200 -36.4663 -5.10121 32.4147 -4.6615 37.2127 -21.4443 31.1801 -22.161 40.8143 TIMING: 4330200 CPU: 13012.6, 0.0029827/step Wall: 13012.6, 0.0029827/step, 0.554947 hours remaining, 207.406250 MB of memory in use. ENERGY: 4330200 726.5599 2089.0329 1939.8387 107.7116 -206087.6717 17953.7570 0.0000 0.0000 34194.4455 -149076.3262 298.6286 -183270.7717 -148979.4177 299.6800 145.4375 180.1109 556622.1286 13.9113 13.8536 PRESSURE: 4330400 99.0238 73.1966 98.6571 73.1951 -99.8298 -76.1257 98.6574 -76.1259 30.3163 GPRESSURE: 4330400 143.772 23.8687 45.2463 179.873 -74.2973 -54.6382 150.991 -98.5978 62.9147 PRESSAVG: 4330400 -43.1884 57.0681 44.8869 57.0681 -25.8523 -19.7271 44.8869 -19.727 21.4136 GPRESSAVG: 4330400 -43.335 54.114 46.223 58.3965 -25.6169 -19.508 44.9921 -18.9446 21.7204 TIMING: 4330400 CPU: 13013.2, 0.00299357/step Wall: 13013.2, 0.00299357/step, 0.556804 hours remaining, 207.406250 MB of memory in use. ENERGY: 4330400 742.0937 2087.4484 1942.7926 110.7575 -205738.7276 17674.9499 0.0000 0.0000 34192.9169 -148987.7685 298.6152 -183180.6855 -148893.1458 299.3346 9.8368 44.1299 557232.0692 -15.8757 -15.7438 PRESSURE: 4330600 -175.032 -32.5761 71.6337 -32.5745 55.0613 72.8749 71.6341 72.8734 -134.866 GPRESSURE: 4330600 -102.324 -26.9853 48.8889 -158.468 57.9045 110.144 53.4057 48.2369 -109.529 PRESSAVG: 4330600 -9.98063 39.212 21.85 39.212 -1.01937 -23.3587 21.85 -23.3587 28.9366 GPRESSAVG: 4330600 -10.7818 41.4768 21.0119 37.3658 -0.150939 -25.2646 22.2131 -24.448 29.1169 TIMING: 4330600 CPU: 13013.8, 0.00297476/step Wall: 13013.8, 0.00297476/step, 0.55314 hours remaining, 207.406250 MB of memory in use. ENERGY: 4330600 723.9922 2088.9600 1936.9684 116.9657 -205599.0176 17546.3210 0.0000 0.0000 34273.7312 -148912.0791 299.3210 -183185.8103 -148817.8376 299.4595 -84.9456 -51.3162 558198.8662 5.9789 6.0614 PRESSURE: 4330800 142.3 49.0296 270.057 49.0286 -229.644 236.164 270.058 236.163 -80.3744 GPRESSURE: 4330800 172.147 17.2975 161.123 57.8479 -190.881 97.9805 314.82 313.23 -53.7266 PRESSAVG: 4330800 -23.585 29.4659 56.6917 29.466 29.7097 -21.0736 56.6916 -21.0737 10.3008 GPRESSAVG: 4330800 -24.2753 28.1299 54.9496 29.9286 29.6289 -20.5534 58.777 -20.6556 11.1186 TIMING: 4330800 CPU: 13014.4, 0.00297261/step Wall: 13014.4, 0.00297261/step, 0.552576 hours remaining, 207.406250 MB of memory in use. ENERGY: 4330800 734.7051 2076.0891 1950.4628 126.3109 -205375.2756 17604.7845 0.0000 0.0000 34157.3839 -148725.5394 298.3049 -182882.9232 -148628.5331 300.0359 -55.9063 -24.1535 558212.7784 5.4752 5.4908 PRESSURE: 4331000 -61.0921 -76.6147 -148.48 -76.6132 -17.4035 166.483 -148.479 166.483 223.298 GPRESSURE: 4331000 -37.9633 13.8789 -164.438 -43.2505 22.5766 107.638 -100.267 260.072 246.341 PRESSAVG: 4331000 26.5349 -37.5052 82.4193 -37.5052 0.0933808 11.6196 82.4193 11.6196 41.4275 GPRESSAVG: 4331000 27.8739 -35.9885 85.6126 -36.8644 0.166107 14.1488 79.5339 9.99856 39.8447 TIMING: 4331000 CPU: 13015, 0.00296487/step Wall: 13015, 0.00296487/step, 0.550972 hours remaining, 207.406250 MB of memory in use. ENERGY: 4331000 744.7840 2077.6170 1953.5589 118.9388 -205744.9783 17834.8690 0.0000 0.0000 34429.6436 -148585.5670 300.6826 -183015.2106 -148483.8333 300.3984 48.2674 76.9847 558944.7222 22.6853 22.6282 PRESSURE: 4331200 -155.163 8.17957 -85.4223 8.18027 -412.173 -21.5607 -85.423 -21.5612 -94.895 GPRESSURE: 4331200 -118.69 -76.9408 0.293273 15.824 -349.397 -52.2777 -64.3159 19.9238 -86.245 PRESSAVG: 4331200 42.2409 -14.6069 2.80096 -14.6068 -76.3982 38.8188 2.8009 38.8188 17.6116 GPRESSAVG: 4331200 41.2098 -15.2846 1.96768 -15.5483 -77.1534 37.4681 5.09713 40.2774 19.0688 TIMING: 4331200 CPU: 13015.6, 0.00300027/step Wall: 13015.6, 0.00300027/step, 0.557383 hours remaining, 207.406250 MB of memory in use. ENERGY: 4331200 759.0672 2068.9172 1917.7943 107.0162 -205355.3863 17425.4592 0.0000 0.0000 34384.8887 -148692.2434 300.2918 -183077.1322 -148584.8891 301.0726 -220.7437 -184.7775 558916.5852 -5.5152 -5.6249 PRESSURE: 4331400 2.88453 -28.6303 36.4261 -28.6318 -239.316 174.567 36.4248 174.567 -44.997 GPRESSURE: 4331400 -22.3702 -129.114 33.1321 70.6672 -163.93 169.691 76.477 246.114 -6.78602 PRESSAVG: 4331400 12.1499 -23.4026 12.1466 -23.4028 12.6842 46.1155 12.1466 46.1155 -25.3455 GPRESSAVG: 4331400 12.2493 -22.7316 12.9373 -23.9143 13.0997 46.6606 10.2994 46.5107 -25.539 TIMING: 4331400 CPU: 13016.2, 0.00300992/step Wall: 13016.2, 0.00300992/step, 0.559009 hours remaining, 207.406250 MB of memory in use. ENERGY: 4331400 751.8104 2045.5527 1946.1011 113.6468 -205681.9450 17571.2360 0.0000 0.0000 34518.4220 -148735.1759 301.4580 -183253.5979 -148634.9398 300.8403 -93.8095 -64.3620 557192.7498 -0.1705 -0.0633 PRESSURE: 4331600 -97.716 -42.4901 152.684 -42.4906 99.245 -56.9448 152.685 -56.9454 123.746 GPRESSURE: 4331600 -87.5715 4.74805 154.383 -13.6261 122.337 6.33555 86.0801 -54.5457 177.66 PRESSAVG: 4331600 64.6197 21.8532 43.754 21.8531 65.9623 -1.06206 43.7538 -1.06217 -89.3352 GPRESSAVG: 4331600 63.1668 22.7432 43.4098 21.0989 67.7423 -1.02075 41.8776 -2.10047 -89.7546 TIMING: 4331600 CPU: 13016.8, 0.0030049/step Wall: 13016.8, 0.0030049/step, 0.557909 hours remaining, 207.406250 MB of memory in use. ENERGY: 4331600 732.6957 2096.2182 1927.0069 118.5097 -205874.4439 17867.4359 0.0000 0.0000 34350.8647 -148781.7127 299.9946 -183132.5774 -148690.3601 301.1760 41.7582 70.8087 558000.1109 13.7489 13.7182 PRESSURE: 4331800 -122.045 -0.909217 206.131 -0.909178 -276.835 -9.01148 206.13 -9.01214 -123.971 GPRESSURE: 4331800 -97.5114 -54.186 83.4786 37.4366 -246.811 -40.7069 226.378 61.2762 -76.4881 PRESSAVG: 4331800 -12.3725 -10.1333 46.4124 -10.1331 -117.55 -22.1027 46.4124 -22.1028 125.668 GPRESSAVG: 4331800 -11.3247 -10.201 46.4102 -8.93148 -119.353 -21.9723 48.4086 -20.744 126.206 TIMING: 4331800 CPU: 13017.4, 0.00301067/step Wall: 13017.4, 0.00301067/step, 0.558813 hours remaining, 207.406250 MB of memory in use. ENERGY: 4331800 730.5498 2054.3985 1920.1657 102.3135 -205702.3472 17538.4924 0.0000 0.0000 34484.4546 -148871.9728 301.1613 -183356.4274 -148780.1341 300.7561 -174.2837 -140.2703 558137.2627 -1.4182 -1.4905 PRESSURE: 4332000 -42.7711 -303.614 106.388 -303.613 63.0365 1.56531 106.389 1.56623 46.7283 GPRESSURE: 4332000 -46.3024 -318.625 92.7749 -353.465 134.502 40.8852 89.3953 -55.0201 84.0098 PRESSAVG: 4332000 -33.8772 -27.6334 -17.1039 -27.6334 -18.1625 -11.5991 -17.1038 -11.5991 26.8384 GPRESSAVG: 4332000 -34.8699 -28.5659 -18.3957 -26.8414 -16.8274 -10.5723 -18.0901 -12.461 25.8644 TIMING: 4332000 CPU: 13018, 0.00300494/step Wall: 13018, 0.00300494/step, 0.557583 hours remaining, 207.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4332000 741.2738 2071.3185 1935.9937 115.1392 -205644.7540 17660.2361 0.0000 0.0000 34156.5966 -148964.1960 298.2981 -183120.7926 -148874.1865 300.3001 22.3312 57.4032 559721.6283 -8.4005 -8.6110 PRESSURE: 4332200 24.6942 9.71544 -209.287 9.71647 140.218 -192.5 -209.287 -192.498 -247.981 GPRESSURE: 4332200 47.857 -2.63191 -227.732 18.8912 147.661 -201.933 -181.616 -171.803 -176.754 PRESSAVG: 4332200 73.9101 -57.0586 41.1803 -57.0586 -94.2251 -60.2638 41.1802 -60.2638 16.8956 GPRESSAVG: 4332200 73.0063 -55.8711 40.7793 -57.3681 -94.6219 -62.0004 40.9917 -59.0359 17.9678 TIMING: 4332200 CPU: 13018.6, 0.00300743/step Wall: 13018.6, 0.00300743/step, 0.557878 hours remaining, 207.406250 MB of memory in use. ENERGY: 4332200 737.3256 2086.3117 1950.1700 116.0949 -206180.5396 17805.9130 0.0000 0.0000 34563.2528 -148921.4716 301.8495 -183484.7244 -148821.5287 300.0819 -27.6896 6.2547 558860.1960 -1.1398 -1.2160 LDB: ============= START OF LOAD BALANCING ============== 13022.1 LDB: ============== END OF LOAD BALANCING =============== 13022.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13022.1 LDB: ============= START OF LOAD BALANCING ============== 13022.4 LDB: Largest compute 4772 load 0.026944 is 22.8% of average load 0.118085 LDB: Average compute 0.001736 is 1.5% of average load 0.118085 LDB: TIME 13022.4 LOAD: AVG 0.118085 MAX 0.214111 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.715 MB LDB: TIME 13022.4 LOAD: AVG 0.118085 MAX 0.214111 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.719 MB LDB: TIME 13022.4 LOAD: AVG 0.118085 MAX 0.214111 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.719 MB LDB: ============== END OF LOAD BALANCING =============== 13022.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13022.4 PRESSURE: 4332400 -199.208 -24.2129 5.6172 -24.2132 -293.072 -74.7284 5.61761 -74.7278 -19.9213 GPRESSURE: 4332400 -175.825 -78.8043 -34.9611 3.95335 -212.111 -83.9251 56.1316 -108.265 -32.5844 PRESSAVG: 4332400 21.2506 15.6588 9.5941 15.6588 -86.1248 -48.7955 9.59404 -48.7955 48.6852 GPRESSAVG: 4332400 22.5808 13.5891 10.2356 14.7636 -86.2188 -48.2162 11.1533 -49.8613 47.6503 TIMING: 4332400 CPU: 13019.2, 0.00307895/step Wall: 13019.2, 0.00307895/step, 0.570974 hours remaining, 209.710938 MB of memory in use. ENERGY: 4332400 740.5588 2068.8336 1961.1676 107.4742 -205623.0897 17411.2954 0.0000 0.0000 34398.1804 -148935.5797 300.4079 -183333.7601 -148831.2476 300.2044 -170.7336 -140.1734 557394.9350 -5.3963 -5.3292 PRESSURE: 4332600 -247.87 46.4568 109.063 46.4566 -41.1807 45.41 109.063 45.4083 -104.79 GPRESSURE: 4332600 -216.339 -9.20567 102.717 25.0433 -46.1826 -116.867 43.8143 134.788 -37.1811 PRESSAVG: 4332600 58.5331 -22.2179 29.8576 -22.2179 -7.06992 -0.901667 29.8576 -0.901662 -23.8661 GPRESSAVG: 4332600 57.2281 -23.0509 29.8062 -22.8795 -6.26377 0.224701 28.861 -2.96523 -23.2741 TIMING: 4332600 CPU: 13019.8, 0.00300814/step Wall: 13019.8, 0.00300814/step, 0.557676 hours remaining, 209.710938 MB of memory in use. ENERGY: 4332600 787.0217 2072.3865 1961.3374 118.4943 -205865.0764 17670.1785 0.0000 0.0000 34404.9463 -148850.7118 300.4670 -183255.6581 -148760.2493 300.0179 -131.2802 -99.9009 559030.0289 9.1990 9.2301 PRESSURE: 4332800 -191.768 -69.7726 -17.6082 -69.773 48.3529 -156.086 -17.608 -156.088 -18.2049 GPRESSURE: 4332800 -183.764 22.7444 -17.8416 -42.488 89.456 -122.951 -17.5272 -181.084 16.7583 PRESSAVG: 4332800 -39.3263 -6.25485 45.9212 -6.25491 3.25844 -33.3548 45.9212 -33.3548 32.4796 GPRESSAVG: 4332800 -38.0429 -4.09301 47.3392 -5.4149 1.83913 -32.7291 46.4455 -32.4451 32.1123 TIMING: 4332800 CPU: 13020.4, 0.00297376/step Wall: 13020.4, 0.00297376/step, 0.551138 hours remaining, 209.835938 MB of memory in use. ENERGY: 4332800 782.6141 2064.0191 1942.0180 92.6938 -205761.6638 17745.9291 0.0000 0.0000 34316.8222 -148817.5675 299.6973 -183134.3897 -148716.8587 300.2382 -53.8732 -25.8500 557986.0271 -1.1961 -1.3638 PRESSURE: 4333000 31.4662 84.3024 -118.149 84.3027 -43.9338 -168.212 -118.149 -168.213 -8.50607 GPRESSURE: 4333000 55.7826 87.2037 -102.122 122.191 29.2608 -132.396 -124.513 -178.242 -12.1764 PRESSAVG: 4333000 15.513 -21.3018 13.9721 -21.3018 5.73125 -18.6465 13.9721 -18.6465 -6.85088 GPRESSAVG: 4333000 14.4202 -22.673 13.5306 -22.1119 8.5022 -19.8278 13.6749 -18.6434 -8.48642 TIMING: 4333000 CPU: 13021, 0.00298535/step Wall: 13021, 0.00298535/step, 0.553119 hours remaining, 209.835938 MB of memory in use. ENERGY: 4333000 798.2253 2048.9049 1925.4034 124.5489 -205676.1722 17676.3853 0.0000 0.0000 34324.3541 -148778.3503 299.7631 -183102.7044 -148682.2775 300.5212 -6.9912 24.2890 558324.6732 4.7978 4.8120 PRESSURE: 4333200 -61.0422 88.6664 107.393 88.667 -104.28 12.7071 107.393 12.7076 -191.098 GPRESSURE: 4333200 9.60475 135.653 129.148 63.6062 -73.6158 61.514 35.214 -64.9121 -179.937 PRESSAVG: 4333200 -8.45019 40.2293 -71.9305 40.2293 -15.4951 -12.697 -71.9305 -12.697 -0.559046 GPRESSAVG: 4333200 -8.792 40.4352 -73.801 40.1304 -17.2099 -12.9933 -72.7903 -13.0843 1.78667 TIMING: 4333200 CPU: 13021.6, 0.00296972/step Wall: 13021.6, 0.00296972/step, 0.550058 hours remaining, 209.835938 MB of memory in use. ENERGY: 4333200 773.7255 2085.2872 1915.2923 99.8625 -205545.8843 17663.2867 0.0000 0.0000 34399.2802 -148609.1499 300.4175 -183008.4301 -148511.9898 299.9176 -118.8068 -81.3160 557757.9410 -8.1681 -8.0718 PRESSURE: 4333400 -291.995 -115.571 7.3958 -115.571 116.629 -179.019 7.39697 -179.018 108.263 GPRESSURE: 4333400 -227.402 -183.763 -39.8942 -71.0458 145.044 -160.181 34.1851 -175.484 105.42 PRESSAVG: 4333400 -26.3101 19.4935 51.5721 19.4935 89.0679 -23.4567 51.5722 -23.4567 6.15161 GPRESSAVG: 4333400 -24.5497 22.0666 52.9514 19.1597 90.1667 -23.6671 50.021 -23.842 3.5409 TIMING: 4333400 CPU: 13022.2, 0.0029961/step Wall: 13022.2, 0.0029961/step, 0.554778 hours remaining, 209.835938 MB of memory in use. ENERGY: 4333400 752.5085 2081.7093 1959.8192 102.9966 -205568.6375 17675.1319 0.0000 0.0000 34435.7326 -148560.7396 300.7358 -182996.4722 -148457.4254 300.9317 -22.3676 7.6872 557507.0558 22.9698 23.0526 PRESSURE: 4333600 17.9247 -143.044 97.1265 -143.044 327.597 -70.5969 97.1267 -70.5966 144.425 GPRESSURE: 4333600 46.1526 -156.471 51.4415 -177.429 362.303 -22.0707 127.076 -52.8421 167.068 PRESSAVG: 4333600 -87.9567 5.6739 -47.9711 5.67389 81.1617 16.9788 -47.9711 16.9788 -2.80622 GPRESSAVG: 4333600 -88.8395 3.68371 -46.9661 6.01284 79.8324 16.3188 -49.2047 20.0329 -0.580648 TIMING: 4333600 CPU: 13022.8, 0.00301984/step Wall: 13022.8, 0.00301984/step, 0.559006 hours remaining, 209.835938 MB of memory in use. ENERGY: 4333600 730.5953 2110.8854 1946.8661 106.5687 -206107.8338 18083.3276 0.0000 0.0000 34557.4945 -148572.0960 301.7992 -183129.5906 -148477.1677 301.3432 163.3156 191.8412 557630.2150 -3.2004 -3.1959 PRESSURE: 4333800 13.4179 69.4102 75.3091 69.4092 -14.0123 -39.7582 75.309 -39.7585 -208.136 GPRESSURE: 4333800 57.6094 65.0693 29.3795 -13.8376 32.1827 -71.8733 55.8009 36.2654 -207.613 PRESSAVG: 4333800 73.2649 -26.701 17.7763 -26.701 20.2335 21.6758 17.7764 21.6758 -78.956 GPRESSAVG: 4333800 72.9154 -26.765 16.6191 -27.7126 20.9808 21.4917 20.9459 22.0854 -78.9976 TIMING: 4333800 CPU: 13023.4, 0.00299034/step Wall: 13023.4, 0.00299034/step, 0.553379 hours remaining, 209.835938 MB of memory in use. ENERGY: 4333800 722.5804 2092.1427 1941.5004 122.8010 -205657.0806 17664.9771 0.0000 0.0000 34432.1663 -148680.9128 300.7047 -183113.0790 -148580.4914 300.6165 -69.5768 -39.2735 558928.1875 4.8475 4.9662 PRESSURE: 4334000 17.7994 9.08571 82.4083 9.08579 131.461 94.026 82.4071 94.0284 121.156 GPRESSURE: 4334000 67.7551 40.6299 23.7969 39.6036 129.598 77.46 88.9918 116.917 176.719 PRESSAVG: 4334000 -14.098 70.8935 14.9861 70.8933 25.4089 -9.99562 14.9861 -9.99562 13.8674 GPRESSAVG: 4334000 -12.8843 70.4676 15.7244 71.3068 24.3616 -8.44773 13.1 -12.3147 14.4498 TIMING: 4334000 CPU: 13024, 0.00297952/step Wall: 13024, 0.00297952/step, 0.551212 hours remaining, 209.835938 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: 4334000 756.1820 2074.7198 1942.0413 120.4076 -205936.4357 17888.0483 0.0000 0.0000 34414.9839 -148740.0527 300.5546 -183155.0367 -148646.8334 300.3206 90.1388 124.6906 556655.4995 8.3928 8.6424 PRESSURE: 4334200 -165.778 -27.2162 15.8506 -27.217 -126.619 -74.4206 15.8494 -74.4194 -227.659 GPRESSURE: 4334200 -112.883 5.14303 42.1832 -40.7173 -64.8375 6.05091 7.63096 -31.4143 -246.32 PRESSAVG: 4334200 22.9062 24.4888 12.4257 24.4888 8.0022 7.76833 12.4258 7.76826 -45.5535 GPRESSAVG: 4334200 23.9128 26.1588 13.1965 23.4453 8.4683 8.59307 12.6336 7.53394 -47.3494 TIMING: 4334200 CPU: 13024.6, 0.0029911/step Wall: 13024.6, 0.0029911/step, 0.553186 hours remaining, 209.835938 MB of memory in use. ENERGY: 4334200 773.5762 2094.5629 1935.9517 115.6959 -205528.0015 17533.3461 0.0000 0.0000 34417.8766 -148656.9921 300.5799 -183074.8687 -148561.7388 300.7990 -173.3520 -141.3467 559053.7346 -4.8817 -4.9894 PRESSURE: 4334400 -220.211 8.66923 20.8532 8.67107 200.859 123.245 20.8534 123.243 436.153 GPRESSURE: 4334400 -162.203 -4.0203 64.5724 55.5413 197.014 141.43 36.9923 128.954 481.408 PRESSAVG: 4334400 20.1488 21.0494 24.9872 21.0493 31.3999 44.6966 24.9872 44.6966 -26.0601 GPRESSAVG: 4334400 18.4035 20.7812 24.4483 22.3381 31.4003 43.399 25.2039 45.0481 -24.0735 TIMING: 4334400 CPU: 13025.2, 0.002967/step Wall: 13025.2, 0.002967/step, 0.548565 hours remaining, 209.835938 MB of memory in use. ENERGY: 4334400 743.1984 2034.9621 1923.2429 107.9872 -205765.9356 17867.0541 0.0000 0.0000 34343.2795 -148746.2113 299.9284 -183089.4908 -148649.5309 300.2017 138.9335 172.0729 557376.0091 8.4962 8.5768 PRESSURE: 4334600 -6.82218 46.5169 15.9887 46.5185 -150.159 51.844 15.9888 51.8434 -231.82 GPRESSURE: 4334600 -39.5671 37.7973 90.861 -9.66542 -106.961 -14.6424 -88.1846 141.158 -153.985 PRESSAVG: 4334600 4.12557 10.6638 30.7017 10.6638 -27.3359 -1.45058 30.7017 -1.45071 25.0834 GPRESSAVG: 4334600 4.50454 11.8533 30.8194 8.38252 -26.1731 -1.98506 32.0862 -1.68705 23.5903 TIMING: 4334600 CPU: 13025.8, 0.00298913/step Wall: 13025.8, 0.00298913/step, 0.55249 hours remaining, 209.835938 MB of memory in use. ENERGY: 4334600 729.0661 2079.9046 1936.2138 115.6500 -205178.2691 17248.3448 0.0000 0.0000 34466.4506 -148602.6394 301.0041 -183069.0899 -148502.3898 300.6478 -129.6005 -100.1711 557272.4909 0.6244 0.6406 PRESSURE: 4334800 -72.8216 -81.1789 26.3728 -81.1787 -60.6983 24.8094 26.3735 24.8096 -147.585 GPRESSURE: 4334800 7.35937 -41.567 90.2337 -87.6329 -93.7349 75.3288 -45.3707 38.3571 -95.0449 PRESSAVG: 4334800 -26.8006 0.300978 45.271 0.301032 -28.5109 -11.7961 45.2709 -11.7961 57.4115 GPRESSAVG: 4334800 -26.6352 -0.966044 41.6634 1.56799 -28.3708 -13.8567 46.5236 -10.0979 57.0785 TIMING: 4334800 CPU: 13026.4, 0.00298686/step Wall: 13026.4, 0.00298686/step, 0.551906 hours remaining, 209.835938 MB of memory in use. ENERGY: 4334800 790.9391 2042.5891 1938.0511 109.2456 -205689.8674 17662.3197 0.0000 0.0000 34474.4730 -148672.2499 301.0741 -183146.7229 -148569.4980 300.8654 -93.7017 -60.4735 557580.4169 0.7000 0.6909 PRESSURE: 4335000 91.4954 96.0804 -21.4877 96.0809 63.1452 54.8999 -21.4871 54.9003 354.785 GPRESSURE: 4335000 163.108 113.917 8.13748 39.5524 100.509 36.0469 46.042 36.2633 337.901 PRESSAVG: 4335000 67.221 14.2816 -18.0713 14.2816 -64.0282 15.4406 -18.0713 15.4407 41.8695 GPRESSAVG: 4335000 66.5928 14.9858 -14.1445 13.3193 -64.1478 15.16 -20.2007 13.7514 42.6097 TIMING: 4335000 CPU: 13027, 0.0029451/step Wall: 13027, 0.0029451/step, 0.544026 hours remaining, 209.835938 MB of memory in use. ENERGY: 4335000 746.2691 2037.4963 1929.9407 103.2400 -205675.3171 17820.0960 0.0000 0.0000 34259.4302 -148778.8448 299.1961 -183038.2750 -148681.1081 300.3730 169.8085 200.5059 557381.5922 15.0208 15.0182 PRESSURE: 4335200 -118.992 17.4686 88.3656 17.4684 -78.9855 23.3438 88.367 23.3439 86.3713 GPRESSURE: 4335200 -35.8388 72.0226 120.986 -38.6191 -16.1379 59.0497 69.3063 23.5426 33.9323 PRESSAVG: 4335200 16.3054 -13.798 -3.86028 -13.798 -25.4559 1.23157 -3.8603 1.23167 -31.9409 GPRESSAVG: 4335200 16.7811 -16.4235 -4.83499 -10.1385 -25.2244 4.46958 -2.5428 2.57514 -32.5667 TIMING: 4335200 CPU: 13027.6, 0.00299488/step Wall: 13027.6, 0.00299488/step, 0.553054 hours remaining, 209.835938 MB of memory in use. ENERGY: 4335200 753.2238 2034.5904 1939.1847 104.7262 -206206.8862 17747.9696 0.0000 0.0000 34604.7241 -149022.4674 302.2117 -183627.1915 -148923.2124 300.1803 -37.2019 -6.0148 557928.8605 -13.6971 -13.6700 PRESSURE: 4335400 -94.5449 14.6648 1.34382 14.6651 -102.982 -154.272 1.34535 -154.272 -42.6209 GPRESSURE: 4335400 -100.6 80.8542 -39.3889 -42.3326 -116.076 -60.8411 35.4144 -209.242 58.3282 PRESSAVG: 4335400 -58.0168 -33.957 26.8279 -33.957 -23.302 13.2652 26.8279 13.2653 18.1892 GPRESSAVG: 4335400 -59.1772 -30.7492 24.7687 -38.6095 -23.2941 9.93637 27.1126 13.6761 19.205 TIMING: 4335400 CPU: 13028.2, 0.00297364/step Wall: 13028.2, 0.00297364/step, 0.548967 hours remaining, 209.835938 MB of memory in use. ENERGY: 4335400 784.9550 2056.5542 1937.9005 113.3825 -206261.4318 17837.7505 0.0000 0.0000 34423.5755 -149107.3136 300.6296 -183530.8891 -149008.9839 300.4757 -80.0491 -52.7826 559148.2505 -21.0432 -21.0888 PRESSURE: 4335600 -91.4341 -49.209 -2.81663 -49.2095 -21.9202 3.14097 -2.81774 3.13955 -281.776 GPRESSURE: 4335600 -130.149 -6.50018 -56.4678 18.8444 39.0335 -33.0752 10.2149 -10.2872 -214.153 PRESSAVG: 4335600 30.4156 20.053 38.256 20.053 -84.0344 -18.4693 38.256 -18.4693 32.341 GPRESSAVG: 4335600 31.4067 19.3266 40.3939 23.6017 -84.6559 -16.9206 37.558 -19.0863 32.3645 TIMING: 4335600 CPU: 13028.8, 0.00299615/step Wall: 13028.8, 0.00299615/step, 0.552955 hours remaining, 209.835938 MB of memory in use. ENERGY: 4335600 745.9106 2153.9457 1930.1839 107.2582 -206161.8907 17608.4480 0.0000 0.0000 34465.3467 -149150.7975 300.9944 -183616.1443 -149051.6803 299.9336 -131.7100 -101.7559 559299.7019 -7.0926 -6.9615 PRESSURE: 4335800 -54.6295 -13.9528 -18.2854 -13.9533 -461.936 206.955 -18.2848 206.956 260.157 GPRESSURE: 4335800 -46.688 3.06124 -37.3166 -54.0035 -367.852 153.724 4.08476 287.613 242.694 PRESSAVG: 4335800 -47.8943 -13.5215 16.4016 -13.5215 -21.1527 48.2195 16.4016 48.2196 30.1579 GPRESSAVG: 4335800 -48.2904 -13.7451 15.0835 -15.4843 -20.3171 50.133 18.1296 47.7709 30.098 TIMING: 4335800 CPU: 13029.4, 0.00298928/step Wall: 13029.4, 0.00298928/step, 0.551522 hours remaining, 209.835938 MB of memory in use. ENERGY: 4335800 759.6948 2124.1777 1950.6922 110.8204 -205972.9364 17765.0604 0.0000 0.0000 34297.8114 -148964.6795 299.5313 -183262.4909 -148863.6609 299.9443 -85.4695 -57.2823 558555.0852 -12.9630 -12.8365 PRESSURE: 4336000 -14.8821 -53.5495 249.817 -53.5494 -67.7964 121.555 249.818 121.554 -55.0026 GPRESSURE: 4336000 35.7367 -6.713 224.639 -57.6038 -35.7072 127.843 347.416 110.599 -38.5892 PRESSAVG: 4336000 -4.2144 -10.334 62.9642 -10.3338 -59.911 51.4793 62.9642 51.4793 24.3528 GPRESSAVG: 4336000 -4.43322 -11.8366 62.987 -8.57091 -60.5034 49.8118 62.3583 52.8703 25.5974 TIMING: 4336000 CPU: 13029.9, 0.00297436/step Wall: 13029.9, 0.00297436/step, 0.548604 hours remaining, 209.835938 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: 4336000 727.0146 2060.8160 1967.9903 130.6376 -205639.3382 17550.5025 0.0000 0.0000 34418.3691 -148784.0082 300.5842 -183202.3772 -148692.7647 300.5961 -45.8937 -12.8533 558127.2236 -13.2575 -13.1131 PRESSURE: 4336200 40.4425 -154.926 -39.7475 -154.926 71.0144 86.5071 -39.7472 86.5076 130.116 GPRESSURE: 4336200 59.4034 -71.148 -3.40382 -132.668 182.511 22.8164 -75.953 80.0068 88.3652 PRESSAVG: 4336200 28.2015 -43.0103 4.54776 -43.0102 -50.7301 72.7851 4.54772 72.7853 5.47609 GPRESSAVG: 4336200 29.6556 -38.8723 6.3225 -45.2689 -50.6345 74.2639 3.49955 69.8299 3.76243 TIMING: 4336200 CPU: 13030.5, 0.00297533/step Wall: 13030.5, 0.00297533/step, 0.548617 hours remaining, 209.835938 MB of memory in use. ENERGY: 4336200 722.8423 2105.1562 1967.9331 114.5409 -205818.2662 17750.0974 0.0000 0.0000 34435.0349 -148722.6615 300.7297 -183157.6963 -148628.5603 300.8156 80.5242 110.0931 557269.9882 -5.6842 -5.7388 LDB: ============= START OF LOAD BALANCING ============== 13034.1 LDB: ============== END OF LOAD BALANCING =============== 13034.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13034.1 LDB: ============= START OF LOAD BALANCING ============== 13034.4 LDB: Largest compute 4773 load 0.026479 is 22.4% of average load 0.118113 LDB: Average compute 0.001735 is 1.5% of average load 0.118113 LDB: TIME 13034.4 LOAD: AVG 0.118113 MAX 0.20964 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.918 MB LDB: TIME 13034.4 LOAD: AVG 0.118113 MAX 0.20964 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.918 MB LDB: TIME 13034.4 LOAD: AVG 0.118113 MAX 0.20964 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.918 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13034.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13034.4 PRESSURE: 4336400 -47.3575 79.5967 -23.1361 79.5983 -7.01549 -21.239 -23.1358 -21.2385 -296.827 GPRESSURE: 4336400 -10.9403 44.2882 -87.3335 159.209 -49.7951 -10.9198 -3.02684 -31.0378 -199.12 PRESSAVG: 4336400 44.6274 -2.30069 -33.9289 -2.30076 -7.01265 -13.0857 -33.9287 -13.0857 -38.593 GPRESSAVG: 4336400 44.3391 -6.36756 -35.3709 0.302148 -7.88861 -14.6397 -34.1143 -12.1838 -38.0304 TIMING: 4336400 CPU: 13031.1, 0.00303575/step Wall: 13031.1, 0.00303575/step, 0.559589 hours remaining, 210.300781 MB of memory in use. ENERGY: 4336400 743.0149 2093.9949 1926.4321 113.1255 -205613.8325 17522.9792 0.0000 0.0000 34360.4029 -148853.8829 300.0779 -183214.2858 -148752.2625 300.5527 -117.0665 -86.6186 556407.0009 -0.3261 -0.5266 PRESSURE: 4336600 218.328 -251.237 -143.07 -251.236 33.44 -7.23367 -143.071 -7.23228 -82.3857 GPRESSURE: 4336600 227.242 -232.024 -132.213 -210.736 68.5454 -33.4875 -37.7927 -10.9836 -35.7291 PRESSAVG: 4336600 5.88233 3.41394 95.7458 3.41394 49.2259 -31.8095 95.7459 -31.8094 -36.8146 GPRESSAVG: 4336600 5.19431 3.90731 96.3055 1.79543 50.0998 -30.6375 97.9149 -33.1963 -36.7444 TIMING: 4336600 CPU: 13031.7, 0.00296617/step Wall: 13031.7, 0.00296617/step, 0.5466 hours remaining, 210.300781 MB of memory in use. ENERGY: 4336600 774.1207 2089.4406 1952.1739 112.5668 -206239.5113 17800.4497 0.0000 0.0000 34531.8235 -148978.9360 301.5750 -183510.7595 -148880.0182 300.8957 56.4607 86.6860 555964.9801 6.0979 6.1832 PRESSURE: 4336800 -80.2486 7.66305 74.9004 7.6635 77.4989 160.068 74.8995 160.066 -19.9442 GPRESSURE: 4336800 -43.598 -118.188 88.4343 129.84 65.9923 124.177 122.482 119.303 51.9791 PRESSAVG: 4336800 -3.06208 -31.0597 3.87135 -31.0596 -27.7928 25.3452 3.87132 25.3451 -5.02844 GPRESSAVG: 4336800 -3.45025 -30.1431 1.84262 -29.9097 -28.2178 25.079 2.27491 25.2501 -4.52705 TIMING: 4336800 CPU: 13032.3, 0.00295758/step Wall: 13032.3, 0.00295758/step, 0.544852 hours remaining, 210.300781 MB of memory in use. ENERGY: 4336800 788.0260 2106.9070 1959.9274 108.3095 -205855.7449 17836.5600 0.0000 0.0000 34257.1413 -148798.8736 299.1761 -183056.0149 -148695.5341 300.4309 -7.5646 24.7911 557153.7992 -11.9611 -12.0650 PRESSURE: 4337000 -246.22 178.164 240.685 178.165 -231.02 -193.123 240.685 -193.123 -25.4257 GPRESSURE: 4337000 -166.98 140.853 109.658 233.17 -231.01 -177.248 242.725 -203.774 -9.27155 PRESSAVG: 4337000 -16.0045 -27.8743 19.6312 -27.8742 14.0499 -27.0021 19.6312 -27.0022 32.7762 GPRESSAVG: 4337000 -16.0173 -27.0315 19.5107 -27.7928 15.0878 -27.756 18.1451 -25.5636 31.6098 TIMING: 4337000 CPU: 13032.9, 0.00295927/step Wall: 13032.9, 0.00295927/step, 0.544999 hours remaining, 210.300781 MB of memory in use. ENERGY: 4337000 758.0617 2127.9033 1918.2371 98.6290 -205785.5475 17677.4020 0.0000 0.0000 34284.5707 -148920.7437 299.4157 -183205.3144 -148830.5709 300.6281 -167.5555 -135.7536 559282.8023 10.2739 10.2267 PRESSURE: 4337200 -278.341 -93.3598 -132.675 -93.3603 -8.61102 -121.071 -132.674 -121.07 -121.313 GPRESSURE: 4337200 -257.027 -8.26171 -136.397 -76.499 -0.985699 -87.5028 -144.689 -81.3399 -61.0074 PRESSAVG: 4337200 -19.0327 -51.4925 -40.5728 -51.4925 44.7294 -19.1597 -40.5728 -19.1595 -18.6337 GPRESSAVG: 4337200 -18.5105 -52.5437 -38.5624 -51.5542 44.5517 -18.0362 -38.6003 -19.007 -18.7477 TIMING: 4337200 CPU: 13033.5, 0.00295605/step Wall: 13033.5, 0.00295605/step, 0.544242 hours remaining, 210.371094 MB of memory in use. ENERGY: 4337200 726.5456 2113.3746 1954.4126 138.4809 -206023.6359 17791.4511 0.0000 0.0000 34296.2555 -149003.1157 299.5177 -183299.3712 -148913.5474 300.2826 -136.0882 -106.3399 559280.2436 2.3543 2.4312 PRESSURE: 4337400 -7.43004 11.9064 -107.671 11.9057 28.6328 -188.56 -107.671 -188.56 -82.634 GPRESSURE: 4337400 30.6643 -100.01 -23.4097 136.759 88.3505 -92.4352 -142.424 -243.325 -86.9046 PRESSAVG: 4337400 -39.2286 4.34315 -81.5988 4.34322 -27.1156 -77.1586 -81.5989 -77.1586 41.3904 GPRESSAVG: 4337400 -39.8452 4.07156 -80.2763 4.54805 -26.306 -75.3256 -84.197 -78.3882 41.5673 TIMING: 4337400 CPU: 13034.1, 0.00295991/step Wall: 13034.1, 0.00295991/step, 0.544787 hours remaining, 210.371094 MB of memory in use. ENERGY: 4337400 773.0559 2055.1979 1966.7927 114.1681 -206039.7546 17784.3453 0.0000 0.0000 34338.4708 -149007.7240 299.8864 -183346.1948 -148908.6801 300.2110 -20.4771 10.7034 556176.4852 -8.3179 -8.1946 PRESSURE: 4337600 35.6679 60.7695 -62.0621 60.7705 -88.3184 -34.9491 -62.0605 -34.9485 30.1449 GPRESSURE: 4337600 103.584 61.9233 -49.9072 4.66231 -60.8055 -21.7479 -63.2073 -60.2861 32.3 PRESSAVG: 4337600 -22.9637 -24.6096 -26.8748 -24.6098 18.4858 15.8688 -26.8748 15.8689 8.15133 GPRESSAVG: 4337600 -22.9088 -24.1968 -28.4322 -26.1453 17.587 14.6904 -24.26 16.5284 9.13079 TIMING: 4337600 CPU: 13034.7, 0.00295303/step Wall: 13034.7, 0.00295303/step, 0.543357 hours remaining, 210.371094 MB of memory in use. ENERGY: 4337600 704.0687 2114.4853 1958.9721 113.3167 -206152.7499 17559.0492 0.0000 0.0000 34455.0831 -149247.7749 300.9048 -183702.8580 -149149.2762 299.3131 -7.5019 25.0262 555976.2011 1.2245 1.2697 PRESSURE: 4337800 -110.252 34.1456 -53.346 34.1465 -16.3534 -216.103 -53.3453 -216.104 -150.281 GPRESSURE: 4337800 -35.5304 74.2918 -118.205 71.5238 26.7847 -183.674 33.9687 -269.382 -172.649 PRESSAVG: 4337800 -13.4261 16.4014 -61.8693 16.4014 14.4306 -74.131 -61.8693 -74.1311 -12.257 GPRESSAVG: 4337800 -13.988 15.8046 -59.6455 18.7232 15.3023 -77.1809 -65.0996 -73.8281 -12.7668 TIMING: 4337800 CPU: 13035.3, 0.00295657/step Wall: 13035.3, 0.00295657/step, 0.543845 hours remaining, 210.371094 MB of memory in use. ENERGY: 4337800 741.1174 2060.5690 1944.9361 126.3366 -205882.1253 17626.8328 0.0000 0.0000 34160.5000 -149221.8333 298.3321 -183382.3333 -149123.3281 299.4780 -92.2951 -60.4650 557893.3986 -3.7508 -3.8175 PRESSURE: 4338000 87.1389 -89.8972 -18.5617 -89.8964 -93.5855 115.883 -18.5618 115.883 -112.581 GPRESSURE: 4338000 157.354 -49.8458 29.1054 -109.39 -99.2707 163.938 -131.198 137.26 -85.4251 PRESSAVG: 4338000 -41.5374 -4.35825 -44.8273 -4.35821 33.079 -79.1209 -44.8272 -79.121 6.81427 GPRESSAVG: 4338000 -40.1214 -3.84861 -46.2779 -5.94981 31.651 -76.4197 -42.817 -79.9228 6.24701 TIMING: 4338000 CPU: 13035.9, 0.00297089/step Wall: 13035.9, 0.00297089/step, 0.546314 hours remaining, 210.371094 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: 4338000 742.9290 2109.6970 1973.9720 115.3763 -205884.6885 17718.2558 0.0000 0.0000 34146.6576 -149077.8009 298.2113 -183224.4585 -148974.7899 299.6770 -39.6757 -9.1140 558174.3397 -0.5480 -0.7411 PRESSURE: 4338200 131.385 -147.616 -99.0576 -147.616 -142.061 -23.9957 -99.0587 -23.9986 29.6007 GPRESSURE: 4338200 121.448 -102.623 -77.4888 -165.471 -24.1899 -15.1337 -123.099 -51.0273 9.70446 PRESSAVG: 4338200 21.366 -9.77402 -17.9761 -9.7741 -18.9182 12.6355 -17.9761 12.6354 39.997 GPRESSAVG: 4338200 20.2223 -10.088 -18.3542 -7.93 -17.1621 11.7403 -16.3079 13.9129 39.543 TIMING: 4338200 CPU: 13036.5, 0.00301062/step Wall: 13036.5, 0.00301062/step, 0.553453 hours remaining, 210.371094 MB of memory in use. ENERGY: 4338200 740.1879 2062.7477 1955.5667 105.2315 -206185.5209 17993.2358 0.0000 0.0000 34172.0296 -149156.5218 298.4328 -183328.5514 -149063.7762 299.4814 6.3080 35.6540 557331.2715 14.1483 14.2011 PRESSURE: 4338400 -328.147 -106.893 89.1014 -106.893 -215.556 -37.6306 89.101 -37.6306 -4.11889 GPRESSURE: 4338400 -241.723 -115.037 98.5282 -98.0413 -226.634 8.88459 100.046 -86.1036 12.2522 PRESSAVG: 4338400 -3.57665 10.6472 -50.7708 10.6473 26.0735 -14.5724 -50.7708 -14.5724 -18.4367 GPRESSAVG: 4338400 -3.39211 10.8471 -53.015 9.96193 24.9751 -12.5457 -48.8165 -17.3924 -17.5705 TIMING: 4338400 CPU: 13037.1, 0.00300605/step Wall: 13037.1, 0.00300605/step, 0.552445 hours remaining, 210.371094 MB of memory in use. ENERGY: 4338400 762.5421 2114.2644 1972.0973 122.5499 -206213.7496 17738.9738 0.0000 0.0000 34476.2383 -149027.0837 301.0896 -183503.3221 -148931.6966 299.3620 -182.6071 -152.0351 559444.3034 1.3534 1.3375 PRESSURE: 4338600 -329.314 188.785 92.3411 188.786 -237.861 179.909 92.3417 179.909 -63.562 GPRESSURE: 4338600 -359.638 210.151 110.48 171.386 -193.756 160.102 97.1902 132.296 16.6881 PRESSAVG: 4338600 -14.278 48.0301 23.5423 48.0301 -28.0931 -34.9832 23.5422 -34.9832 30.0962 GPRESSAVG: 4338600 -13.9888 47.1675 26.2636 48.9501 -28.8413 -35.2378 20.7805 -33.6152 30.9347 TIMING: 4338600 CPU: 13037.7, 0.00301713/step Wall: 13037.7, 0.00301713/step, 0.554314 hours remaining, 210.371094 MB of memory in use. ENERGY: 4338600 741.6595 2096.6317 1948.4280 104.5897 -206014.9544 17653.8586 0.0000 0.0000 34334.3994 -149135.3875 299.8508 -183469.7869 -149043.9706 299.9291 -210.2458 -178.9021 559001.7716 -4.0916 -3.9651 PRESSURE: 4338800 35.0182 193.405 -71.7822 193.405 310.361 124.713 -71.7827 124.714 209.796 GPRESSURE: 4338800 144.778 152.55 51.2291 72.4648 287.034 87.2481 -149.905 275.902 222.938 PRESSAVG: 4338800 29.7214 21.8963 14.4542 21.8962 8.99222 43.9677 14.4541 43.9678 -43.16 GPRESSAVG: 4338800 29.6859 22.7975 15.9397 20.2845 10.2986 44.7282 13.9811 44.3044 -44.0572 TIMING: 4338800 CPU: 13038.3, 0.00299992/step Wall: 13038.3, 0.00299992/step, 0.550986 hours remaining, 210.371094 MB of memory in use. ENERGY: 4338800 724.9466 2086.2508 1949.0067 124.2586 -206655.6930 18072.8898 0.0000 0.0000 34252.7651 -149445.5754 299.1379 -183698.3406 -149350.4474 299.1492 185.0584 218.2500 556587.5727 -1.4821 -1.3576 PRESSURE: 4339000 -269.964 51.4311 6.69122 51.4315 -22.2405 -6.67547 6.69158 -6.67602 107.272 GPRESSURE: 4339000 -217.377 -7.22513 48.1735 38.9821 37.1029 -39.8972 27.4325 -26.7098 91.2955 PRESSAVG: 4339000 -42.7938 12.7172 41.2279 12.7172 -2.46212 31.6207 41.2279 31.6207 13.2431 GPRESSAVG: 4339000 -42.8286 13.1708 37.7354 12.3104 -3.45835 31.1658 42.6631 32.1016 13.7571 TIMING: 4339000 CPU: 13038.9, 0.00299556/step Wall: 13038.9, 0.00299556/step, 0.550018 hours remaining, 210.371094 MB of memory in use. ENERGY: 4339000 761.6552 2062.2457 1955.7086 113.0104 -206252.7698 17625.7593 0.0000 0.0000 34161.8569 -149572.5336 298.3440 -183734.3905 -149470.8354 298.9409 -61.6442 -29.6595 557499.6958 -10.6709 -10.8433 PRESSURE: 4339200 32.0331 71.1664 45.1534 71.166 -65.8562 -75.723 45.1539 -75.724 -138.82 GPRESSURE: 4339200 32.4827 20.5558 48.8213 107.599 -71.9467 -127.234 58.5965 -61.6518 -35.1183 PRESSAVG: 4339200 20.5004 24.6274 -18.29 24.6274 -30.3271 -37.0809 -18.2899 -37.0809 64.6873 GPRESSAVG: 4339200 18.4967 23.4172 -17.07 23.4377 -29.3022 -38.832 -18.2131 -35.4759 65.9428 TIMING: 4339200 CPU: 13039.5, 0.00297422/step Wall: 13039.5, 0.00297422/step, 0.545935 hours remaining, 210.371094 MB of memory in use. ENERGY: 4339200 758.8733 2088.5452 1943.4315 110.9178 -206318.4741 17807.7734 0.0000 0.0000 34302.9861 -149305.9467 299.5765 -183608.9328 -149219.0790 298.6375 -57.5476 -24.8608 556529.3068 18.2869 18.3791 PRESSURE: 4339400 434.565 -116.608 -66.821 -116.606 -218.482 74.3113 -66.8193 74.3119 307.896 GPRESSURE: 4339400 418.813 -93.1436 25.9938 -170.216 -119.008 19.8741 -84.8784 129.349 322.425 PRESSAVG: 4339400 11.6293 -37.9253 -23.6456 -37.9252 -13.8425 4.43049 -23.6456 4.43031 49.9636 GPRESSAVG: 4339400 13.3117 -37.2112 -23.2462 -36.826 -13.9582 4.37342 -24.252 3.86023 48.7169 TIMING: 4339400 CPU: 13040.1, 0.00302965/step Wall: 13040.1, 0.00302965/step, 0.55594 hours remaining, 210.574219 MB of memory in use. ENERGY: 4339400 749.7588 2027.3646 1953.1487 103.4176 -206252.9406 17939.6875 0.0000 0.0000 34209.2624 -149270.3010 298.7580 -183479.5634 -149168.8261 299.2562 174.6597 207.4099 555692.2332 15.9168 16.0235 PRESSURE: 4339600 -17.517 -81.7523 22.0158 -81.7523 -280.446 133.622 22.0156 133.621 -213.511 GPRESSURE: 4339600 -50.1657 5.19215 32.8049 -54.2428 -211.203 159.027 86.049 98.3437 -152.61 PRESSAVG: 4339600 -46.4074 -3.91381 7.39236 -3.91384 -2.65594 43.582 7.39236 43.582 46.7759 GPRESSAVG: 4339600 -45.9201 -5.58008 8.59236 -1.99741 -2.05661 44.1078 7.59003 42.1586 45.7895 TIMING: 4339600 CPU: 13040.7, 0.00296659/step Wall: 13040.7, 0.00296659/step, 0.544205 hours remaining, 210.574219 MB of memory in use. ENERGY: 4339600 735.2230 2078.2230 1966.0906 103.5721 -206023.4140 17432.3811 0.0000 0.0000 34354.5457 -149353.3786 300.0268 -183707.9243 -149258.7185 299.4281 -170.4911 -137.9927 557200.5597 -0.7625 -0.7291 PRESSURE: 4339800 -104.859 166.059 128.727 166.059 -119.802 180.638 128.728 180.639 94.2159 GPRESSURE: 4339800 -38.2188 201.888 157.248 201.174 -51.8489 247.387 33.8414 166.208 66.0585 PRESSAVG: 4339800 59.0726 11.2332 -33.0183 11.2331 -84.5948 10.5914 -33.0182 10.5913 22.9262 GPRESSAVG: 4339800 59.8413 13.1064 -32.6736 8.79427 -84.3546 11.7607 -34.9726 10.6062 22.3239 TIMING: 4339800 CPU: 13041.3, 0.00299563/step Wall: 13041.3, 0.00299563/step, 0.549366 hours remaining, 210.574219 MB of memory in use. ENERGY: 4339800 762.8281 2088.8884 1976.4541 119.6163 -206441.9379 17878.0005 0.0000 0.0000 34369.0220 -149247.1286 300.1532 -183616.1506 -149148.8825 299.6848 -43.4817 -8.0031 557099.2296 -0.8653 -0.7298 PRESSURE: 4340000 -41.5987 -57.5393 36.5613 -57.5386 168.75 -81.5087 36.561 -81.5073 -141.624 GPRESSURE: 4340000 -29.9308 -83.9703 51.8703 -7.85073 136.202 -36.3188 -17.2783 -105.645 -29.9759 PRESSAVG: 4340000 -23.3555 29.8294 3.22656 29.8295 -9.81679 21.7038 3.22665 21.7038 42.6113 GPRESSAVG: 4340000 -24.4564 28.2174 1.34679 31.8023 -9.64132 19.2014 4.30021 23.6951 43.5327 TIMING: 4340000 CPU: 13041.9, 0.00294523/step Wall: 13041.9, 0.00294523/step, 0.539958 hours remaining, 210.574219 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: 4340000 770.5511 2062.5670 1977.6791 100.6195 -206292.1498 17727.0840 0.0000 0.0000 34401.9394 -149251.7096 300.4407 -183653.6491 -149151.7369 299.4100 -4.8242 25.4317 555686.3906 3.1463 3.1450 PRESSURE: 4340200 341.991 -162.762 16.954 -162.763 335.056 -102.087 16.9541 -102.087 92.2643 GPRESSURE: 4340200 342.861 -171.544 41.1785 -144.02 363.636 -46.6833 -21.0439 -46.3328 164.982 PRESSAVG: 4340200 39.2522 -38.612 -29.988 -38.612 41.9704 -60.6453 -29.9881 -60.6453 -60.0104 GPRESSAVG: 4340200 39.5893 -36.697 -30.9531 -41.9596 41.0045 -57.9057 -28.515 -62.3016 -59.3485 TIMING: 4340200 CPU: 13042.5, 0.0029582/step Wall: 13042.5, 0.0029582/step, 0.542172 hours remaining, 210.574219 MB of memory in use. ENERGY: 4340200 756.2653 2122.7587 1960.7370 106.3226 -206742.4327 18300.3920 0.0000 0.0000 34228.5507 -149267.4064 298.9264 -183495.9571 -149173.3774 299.4381 256.4370 290.4930 557635.3814 7.0708 7.0818 LDB: ============= START OF LOAD BALANCING ============== 13046 LDB: ============== END OF LOAD BALANCING =============== 13046 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13046 LDB: ============= START OF LOAD BALANCING ============== 13046.3 LDB: Largest compute 4802 load 0.026767 is 22.7% of average load 0.118158 LDB: Average compute 0.001734 is 1.5% of average load 0.118158 LDB: TIME 13046.3 LOAD: AVG 0.118158 MAX 0.210827 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.117 MB LDB: TIME 13046.3 LOAD: AVG 0.118158 MAX 0.210827 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.184 MB LDB: TIME 13046.3 LOAD: AVG 0.118158 MAX 0.210827 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.184 MB LDB: ============== END OF LOAD BALANCING =============== 13046.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13046.3 PRESSURE: 4340400 150.152 -65.5402 -103.616 -65.5398 303.04 70.8722 -103.616 70.871 106.119 GPRESSURE: 4340400 131.399 -17.9718 -19.9338 -113.965 396.559 69.1211 -111.779 48.8021 118.83 PRESSAVG: 4340400 -10.7047 -8.40043 19.0086 -8.40043 65.3661 13.3352 19.0086 13.3352 -6.25226 GPRESSAVG: 4340400 -10.8911 -8.39107 20.5808 -7.48615 67.3458 10.7778 17.5098 14.686 -7.17067 TIMING: 4340400 CPU: 13043.1, 0.00301743/step Wall: 13043.1, 0.00301743/step, 0.55286 hours remaining, 209.015625 MB of memory in use. ENERGY: 4340400 746.2613 2131.3410 1960.8060 106.5801 -206144.9895 17982.2966 0.0000 0.0000 34197.2462 -149020.4582 298.6531 -183217.7044 -148922.0880 300.1923 186.4369 215.5959 556771.2360 16.1364 16.4280 PRESSURE: 4340600 22.4934 94.765 -75.5539 94.7661 29.1044 24.3574 -75.555 24.357 66.651 GPRESSURE: 4340600 77.5506 130.829 -102.44 85.1777 39.8707 92.6368 16.1498 -5.61447 100.168 PRESSAVG: 4340600 -50.9949 5.38254 -64.629 5.38253 27.9593 -32.2603 -64.6289 -32.2604 50.0709 GPRESSAVG: 4340600 -50.3054 3.62143 -63.6831 4.81934 26.718 -30.2041 -64.9272 -33.0197 50.143 TIMING: 4340600 CPU: 13043.7, 0.00294311/step Wall: 13043.7, 0.00294312/step, 0.539081 hours remaining, 209.015625 MB of memory in use. ENERGY: 4340600 729.7354 2109.3974 1939.4529 118.0474 -205776.2199 17681.4655 0.0000 0.0000 34398.6411 -148799.4803 300.4119 -183198.1214 -148702.2666 300.3543 39.4163 72.5298 555763.2104 9.0118 8.8519 PRESSURE: 4340800 -221.845 48.7782 -10.1365 48.7781 83.8757 -54.1696 -10.1361 -54.1698 -189.711 GPRESSURE: 4340800 -161.164 -30.5771 27.869 142.723 91.4426 -24.3657 -63.5452 -67.1314 -163.051 PRESSAVG: 4340800 -18.2985 24.1671 43.6806 24.1671 12.9032 -1.30481 43.6807 -1.30498 10.3217 GPRESSAVG: 4340800 -19.291 24.5839 42.7579 27.2278 13.6551 -1.28352 42.8329 -1.24885 10.6952 TIMING: 4340800 CPU: 13044.3, 0.00298273/step Wall: 13044.3, 0.00298273/step, 0.546172 hours remaining, 209.015625 MB of memory in use. ENERGY: 4340800 752.2149 2051.6927 1950.7765 108.9793 -205871.7019 17589.3856 0.0000 0.0000 34549.0518 -148869.6009 301.7255 -183418.6527 -148764.9455 300.3710 -109.2269 -77.5908 559002.0843 1.6421 1.6864 PRESSURE: 4341000 201.187 -31.4991 -24.5611 -31.4987 22.0625 -20.5806 -24.5621 -20.5811 -43.0421 GPRESSURE: 4341000 217.111 -139.977 10.3949 81.7106 43.5965 -23.7382 -80.9711 8.7597 1.68805 PRESSAVG: 4341000 39.5711 -27.2029 -39.5893 -27.2029 -46.7775 22.7039 -39.5893 22.7038 -19.5894 GPRESSAVG: 4341000 40.8479 -27.678 -38.3684 -27.8599 -47.8852 23.2118 -41.9671 22.573 -20.0982 TIMING: 4341000 CPU: 13044.9, 0.00299963/step Wall: 13044.9, 0.00299963/step, 0.549099 hours remaining, 209.015625 MB of memory in use. ENERGY: 4341000 730.8464 2074.0171 1954.4151 111.1790 -206041.4560 17979.4049 0.0000 0.0000 34446.3300 -148745.2634 300.8284 -183191.5935 -148644.1692 301.2537 60.0691 87.4651 558640.1312 -8.9319 -9.0452 PRESSURE: 4341200 -53.8476 -32.2758 117.791 -32.2753 -77.4547 -26.8819 117.791 -26.8825 265.129 GPRESSURE: 4341200 33.1965 -55.266 20.4301 -38.2722 -72.494 -31.5631 107.179 44.842 270.973 PRESSAVG: 4341200 38.3612 13.407 -18.3369 13.407 6.11216 12.7539 -18.3369 12.754 -80.09 GPRESSAVG: 4341200 37.5846 15.2958 -19.9349 12.4748 6.03068 12.6764 -15.6306 13.0136 -79.4824 TIMING: 4341200 CPU: 13045.5, 0.00301016/step Wall: 13045.5, 0.00301016/step, 0.550858 hours remaining, 209.015625 MB of memory in use. ENERGY: 4341200 757.0142 2083.6681 1961.6426 111.2022 -206366.4970 18107.8302 0.0000 0.0000 34351.2229 -148993.9168 299.9978 -183345.1398 -148903.1769 300.5446 44.6090 77.2252 559327.4801 -11.8722 -11.9557 PRESSURE: 4341400 -97.7927 158.568 140.381 158.567 -205.068 116.968 140.381 116.967 38.6412 GPRESSURE: 4341400 -60.5609 92.9474 146.169 94.7762 -200.723 161.827 90.2205 96.0936 83.5092 PRESSAVG: 4341400 5.84114 37.0761 18.4128 37.0761 -22.361 11.0255 18.4127 11.0256 17.6275 GPRESSAVG: 4341400 5.9379 35.1563 18.3012 38.3018 -22.1501 12.9252 17.4152 7.86723 17.344 TIMING: 4341400 CPU: 13046, 0.00296985/step Wall: 13046, 0.00296985/step, 0.543317 hours remaining, 209.015625 MB of memory in use. ENERGY: 4341400 728.7305 2126.8501 1929.5719 108.7748 -206107.0550 17782.8239 0.0000 0.0000 34365.4337 -149064.8700 300.1219 -183430.3037 -148970.8842 299.8681 -88.0731 -59.2581 557915.1113 0.3692 0.3773 PRESSURE: 4341600 -15.0158 17.3654 -6.215 17.3663 195.817 150.186 -6.21555 150.186 61.3811 GPRESSURE: 4341600 27.6821 -12.0888 -31.4115 17.5991 226.057 209.082 17.5962 136.165 73.5179 PRESSAVG: 4341600 -23.3301 16.4101 -47.4858 16.4102 -18.6524 20.6437 -47.4858 20.6437 54.7144 GPRESSAVG: 4341600 -24.5281 17.2888 -47.7353 13.3456 -17.9777 17.8208 -44.9084 22.8772 55.183 TIMING: 4341600 CPU: 13046.7, 0.00301479/step Wall: 13046.7, 0.00301479/step, 0.551371 hours remaining, 209.015625 MB of memory in use. ENERGY: 4341600 710.5088 2080.1713 1947.2535 104.4706 -205725.0245 17790.8866 0.0000 0.0000 34132.4322 -148959.3015 298.0870 -183091.7337 -148867.4998 299.2382 80.7275 109.0855 560017.1236 4.2440 4.2257 PRESSURE: 4341800 117.411 -107.868 -67.0876 -107.867 21.9903 -102.258 -67.0881 -102.258 34.5071 GPRESSURE: 4341800 163.494 -72.1438 -111.711 -37.1748 49.1099 -126.19 -21.0968 -12.3054 76.9183 PRESSAVG: 4341800 -15.4556 -12.6724 24.6112 -12.6725 6.84056 29.7395 24.6112 29.7394 21.8353 GPRESSAVG: 4341800 -15.2936 -14.3382 22.2123 -10.9534 6.75095 30.9676 23.2161 29.4587 21.6581 TIMING: 4341800 CPU: 13047.3, 0.00300163/step Wall: 13047.3, 0.00300163/step, 0.548797 hours remaining, 209.015625 MB of memory in use. ENERGY: 4341800 762.0694 2020.9572 1956.0718 121.1552 -206270.5364 17877.7653 0.0000 0.0000 34523.4806 -149009.0370 301.5021 -183532.5175 -148918.6698 300.0863 57.9693 96.5076 558100.7252 4.4068 4.3718 PRESSURE: 4342000 194.359 -125.521 95.1516 -125.522 372.868 5.82878 95.1515 5.83102 218.557 GPRESSURE: 4342000 264.91 -112.82 92.635 -154.328 377.576 24.472 134.286 1.34226 251.875 PRESSAVG: 4342000 2.56213 -11.2569 3.68506 -11.2568 23.5522 -1.73905 3.68504 -1.73907 -58.2146 GPRESSAVG: 4342000 2.62091 -10.2777 6.78571 -12.581 22.4989 -2.5449 4.16793 -2.96277 -57.4239 TIMING: 4342000 CPU: 13047.9, 0.00301424/step Wall: 13047.9, 0.00301424/step, 0.550937 hours remaining, 209.015625 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: 4342000 712.8829 2107.4402 1972.1495 117.8225 -206311.1795 18198.5936 0.0000 0.0000 34278.4856 -148923.8052 299.3625 -183202.2908 -148822.4180 299.9887 261.9282 298.1200 558641.1909 -10.7001 -10.7680 PRESSURE: 4342200 -166.867 -1.93934 70.2053 -1.9395 -180.821 -67.2058 70.2051 -67.2052 -164.088 GPRESSURE: 4342200 -149.023 82.4052 34.3646 -56.6924 -177.395 -147.45 -2.09949 -48.8375 -105.515 PRESSAVG: 4342200 -5.60652 -31.0274 17.2529 -31.0274 -16.1689 -63.0782 17.2528 -63.0781 -1.06834 GPRESSAVG: 4342200 -5.28249 -31.0894 14.9187 -30.0363 -15.969 -62.536 17.0038 -62.3042 -1.2415 TIMING: 4342200 CPU: 13048.5, 0.00301321/step Wall: 13048.5, 0.00301321/step, 0.550581 hours remaining, 209.015625 MB of memory in use. ENERGY: 4342200 763.1010 2026.7138 1932.6388 107.1182 -205686.1313 17532.0105 0.0000 0.0000 34444.4546 -148880.0945 300.8120 -183324.5491 -148778.9962 299.7803 -170.5920 -143.9777 559671.1553 -7.6146 -7.4976 PRESSURE: 4342400 143.202 285.482 -91.5952 285.482 -179.3 -59.7751 -91.5962 -59.7752 -54.8449 GPRESSURE: 4342400 221.739 274.151 8.89557 314.937 -202.639 -60.6132 -136.723 -101.987 -6.96152 PRESSAVG: 4342400 60.0997 -34.3223 -5.05392 -34.3224 -12.2835 47.3456 -5.05402 47.3456 10.6762 GPRESSAVG: 4342400 59.3393 -35.1884 -3.55288 -33.7659 -11.9704 45.7399 -3.44017 50.4132 11.2552 TIMING: 4342400 CPU: 13049.1, 0.00298734/step Wall: 13049.1, 0.00298734/step, 0.545687 hours remaining, 209.015625 MB of memory in use. ENERGY: 4342400 756.3138 2129.7283 1951.6469 116.9916 -205846.2753 17784.8376 0.0000 0.0000 34241.3283 -148865.4288 299.0380 -183106.7571 -148764.8235 300.1300 -30.3142 4.0464 559257.5568 19.4975 19.5414 PRESSURE: 4342600 -71.9786 -120.329 -119.768 -120.329 -252.022 -193.19 -119.768 -193.191 -168.119 GPRESSURE: 4342600 -17.489 -250.385 -143.288 -59.51 -234.66 -186.384 -150.619 -169.85 -132.153 PRESSAVG: 4342600 2.53729 -2.03169 -48.5615 -2.03173 18.1274 18.1735 -48.5614 18.1734 -14.6742 GPRESSAVG: 4342600 2.33492 -1.3459 -49.3773 -2.3874 19.5502 16.2633 -49.1311 16.5895 -15.7839 TIMING: 4342600 CPU: 13049.7, 0.00299113/step Wall: 13049.7, 0.00299113/step, 0.546213 hours remaining, 209.015625 MB of memory in use. ENERGY: 4342600 704.6457 2117.7644 1940.7515 115.7108 -205532.6204 17684.9823 0.0000 0.0000 34051.0024 -148917.7633 297.3759 -182968.7657 -148823.3952 300.5271 -164.0399 -128.1007 560424.7387 1.9968 2.0337 PRESSURE: 4342800 -200.876 -93.7877 -150.797 -93.7865 121.061 -57.9577 -150.797 -57.9572 12.1893 GPRESSURE: 4342800 -166.97 -170.24 -191.742 -31.768 126.402 -70.0716 -191.17 -26.5703 67.6345 PRESSAVG: 4342800 11.9144 29.3524 -51.6241 29.3524 19.8758 -5.50081 -51.6242 -5.50086 1.73585 GPRESSAVG: 4342800 11.5419 29.2661 -50.4807 28.8366 19.2407 -4.25701 -52.9056 -4.33057 3.01654 TIMING: 4342800 CPU: 13050.2, 0.0029612/step Wall: 13050.2, 0.0029612/step, 0.540583 hours remaining, 209.015625 MB of memory in use. ENERGY: 4342800 751.9780 2021.3790 1963.5290 109.3485 -205803.2446 17841.4107 0.0000 0.0000 34267.2983 -148848.3012 299.2648 -183115.5995 -148751.3913 299.5045 -22.5421 9.0222 557451.0700 11.1753 11.2664 PRESSURE: 4343000 139.107 -114.027 132.82 -114.027 -176.955 -22.9414 132.821 -22.9402 -34.9546 GPRESSURE: 4343000 187.086 -106.009 130.1 -117.059 -149.887 -48.2448 88.8963 30.5053 -13.3546 PRESSAVG: 4343000 -30.3364 -16.9542 -26.8556 -16.9541 -13.8002 30.8345 -26.8556 30.8344 51.0227 GPRESSAVG: 4343000 -29.7582 -17.9526 -27.7824 -16.5294 -14.6335 30.9208 -25.1734 30.8576 50.9891 TIMING: 4343000 CPU: 13050.8, 0.00298654/step Wall: 13050.8, 0.00298654/step, 0.545043 hours remaining, 209.015625 MB of memory in use. ENERGY: 4343000 748.3454 2032.3216 1968.0556 113.8064 -206023.8338 17764.7267 0.0000 0.0000 34576.6677 -148819.9104 301.9666 -183396.5780 -148720.2241 300.0965 -24.2677 7.9481 558219.0367 2.2954 2.1991 PRESSURE: 4343200 -40.9812 -235.674 99.3891 -235.673 -122.231 29.3027 99.3894 29.303 -260.909 GPRESSURE: 4343200 2.5782 -194.496 82.354 -281.756 -79.4894 -1.82396 164.335 10.8013 -254.089 PRESSAVG: 4343200 5.76814 36.0966 3.42139 36.0967 -39.9413 -3.89142 3.42143 -3.89126 -25.342 GPRESSAVG: 4343200 6.0418 34.1585 3.11188 38.256 -39.8211 -1.44397 3.80573 -4.95983 -25.9878 TIMING: 4343200 CPU: 13051.4, 0.00296781/step Wall: 13051.4, 0.00296781/step, 0.541461 hours remaining, 209.015625 MB of memory in use. ENERGY: 4343200 783.8203 2084.7630 1936.7757 110.0464 -206051.9436 17738.7285 0.0000 0.0000 34370.3734 -149027.4363 300.1650 -183397.8097 -148930.7431 299.8696 -141.3737 -110.3333 557822.9442 -19.8384 -19.9224 PRESSURE: 4343400 330.895 -138.322 -12.1619 -138.323 -12.647 265.853 -12.1602 265.853 24.9171 GPRESSURE: 4343400 347.571 -141.404 94.7993 -118.757 23.4988 281.398 0.000742706 210.383 72.3365 PRESSAVG: 4343400 -26.372 -50.8487 28.8772 -50.8487 24.3355 29.8354 28.8772 29.8354 12.811 GPRESSAVG: 4343400 -25.7811 -47.5753 28.9672 -51.9045 23.2293 27.5062 27.6699 31.3743 13.5302 TIMING: 4343400 CPU: 13052, 0.00298443/step Wall: 13052, 0.00298443/step, 0.544327 hours remaining, 209.015625 MB of memory in use. ENERGY: 4343400 755.4188 2069.1191 1952.1547 105.6314 -206363.4987 18143.4101 0.0000 0.0000 34443.2514 -148894.5132 300.8015 -183337.7646 -148791.0004 299.5314 114.3884 147.8020 558290.5084 3.5915 3.6595 PRESSURE: 4343600 95.6552 -58.2179 99.6437 -58.219 -133.04 -11.2826 99.6435 -11.2821 -87.8986 GPRESSURE: 4343600 142.638 -31.8097 98.3506 -45.6038 -75.483 -5.12283 57.3284 31.5411 -98.091 PRESSAVG: 4343600 59.5941 -33.3053 29.0865 -33.3053 -7.96528 10.643 29.0865 10.6429 -15.5018 GPRESSAVG: 4343600 59.1321 -34.8516 27.1907 -33.9065 -8.25255 11.5537 29.2724 10.5833 -15.3189 TIMING: 4343600 CPU: 13052.6, 0.00298623/step Wall: 13052.6, 0.00298623/step, 0.544489 hours remaining, 209.015625 MB of memory in use. ENERGY: 4343600 755.0215 2099.6291 1940.7347 117.6311 -205991.4645 17767.2796 0.0000 0.0000 34319.5309 -148991.6375 299.7210 -183311.1683 -148898.5876 300.0145 -41.7612 -10.3120 557327.5455 12.0424 11.8536 PRESSURE: 4343800 12.5053 -9.92707 110.96 -9.92792 50.6001 24.6507 110.959 24.6522 -76.0637 GPRESSURE: 4343800 60.266 53.5423 115.511 -28.5011 51.0502 63.2336 126.22 -44.78 -27.9568 PRESSAVG: 4343800 25.5434 29.1239 56.3257 29.1238 7.34862 20.6595 56.3257 20.6595 -64.2399 GPRESSAVG: 4343800 25.1342 30.5504 58.7058 25.4482 6.83771 21.5657 54.1118 18.3354 -63.5648 TIMING: 4343800 CPU: 13053.2, 0.00296766/step Wall: 13053.2, 0.00296766/step, 0.540939 hours remaining, 209.015625 MB of memory in use. ENERGY: 4343800 733.3312 2114.1500 1921.9877 114.5644 -206058.1476 17796.4420 0.0000 0.0000 34159.9163 -149217.7560 298.3270 -183377.6723 -149116.7156 299.4533 -4.3194 27.7865 557505.7140 -10.4493 -10.5310 PRESSURE: 4344000 132.409 46.6654 108.925 46.6653 -104.222 21.3108 108.926 21.3121 -25.7649 GPRESSURE: 4344000 155.013 -37.2798 75.392 -20.7373 -29.4278 -92.0769 125.67 87.4469 -46.0866 PRESSAVG: 4344000 -44.8712 -3.63465 36.4726 -3.63469 44.8733 3.34199 36.4726 3.3419 0.387739 GPRESSAVG: 4344000 -44.042 -4.65335 36.1117 -0.133925 44.4212 1.96696 39.2319 4.20564 -0.172631 TIMING: 4344000 CPU: 13053.8, 0.00296839/step Wall: 13053.8, 0.00296839/step, 0.540906 hours remaining, 209.015625 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: 4344000 731.2080 2046.9849 1937.5310 110.1487 -206131.6567 17748.7705 0.0000 0.0000 34429.1157 -149127.8980 300.6780 -183557.0136 -149024.4581 299.7751 0.8073 26.4994 557643.3467 0.1299 0.0689 PRESSURE: 4344200 555.292 -158.499 237.96 -158.499 106.995 -145.781 237.957 -145.78 -38.1133 GPRESSURE: 4344200 593.834 -215.708 217.162 -96.1866 143.39 -102.094 245.67 -118.972 -22.2162 PRESSAVG: 4344200 7.31083 -22.019 35.4873 -22.0191 -25.7443 -28.5429 35.4873 -28.543 10.5218 GPRESSAVG: 4344200 6.98557 -19.9103 34.868 -23.534 -24.8938 -27.2642 35.2803 -29.6116 10.335 TIMING: 4344200 CPU: 13054.4, 0.00296524/step Wall: 13054.4, 0.00296524/step, 0.540167 hours remaining, 209.015625 MB of memory in use. ENERGY: 4344200 728.9358 2032.3690 1946.4655 112.6066 -206376.9866 18331.8129 0.0000 0.0000 34145.0165 -149079.7803 298.1969 -183224.7969 -148981.9052 299.5474 208.0581 238.3358 559890.3591 -2.6372 -2.5244 LDB: ============= START OF LOAD BALANCING ============== 13057.9 LDB: ============== END OF LOAD BALANCING =============== 13057.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13057.9 LDB: ============= START OF LOAD BALANCING ============== 13058.2 LDB: Largest compute 4802 load 0.027906 is 23.6% of average load 0.118119 LDB: Average compute 0.001739 is 1.5% of average load 0.118119 LDB: TIME 13058.2 LOAD: AVG 0.118119 MAX 0.204303 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 212.164 MB LDB: TIME 13058.2 LOAD: AVG 0.118119 MAX 0.204303 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 212.234 MB LDB: TIME 13058.2 LOAD: AVG 0.118119 MAX 0.204303 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 212.234 MB LDB: ============== END OF LOAD BALANCING =============== 13058.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13058.2 PRESSURE: 4344400 -71.8487 -101.954 -17.7982 -101.955 -46.5589 67.7409 -17.7969 67.7421 59.9063 GPRESSURE: 4344400 -43.4147 -121.378 34.5267 -123.893 -43.5019 -13.1164 -60.9425 84.2006 134.351 PRESSAVG: 4344400 27.9633 37.6737 49.5329 37.6737 -65.6418 -36.0487 49.5329 -36.0488 58.2357 GPRESSAVG: 4344400 27.3585 36.5492 50.6129 40.0223 -64.4684 -38.3227 49.7517 -33.8826 57.7819 TIMING: 4344400 CPU: 13055, 0.00299611/step Wall: 13055, 0.00299611/step, 0.545624 hours remaining, 210.257812 MB of memory in use. ENERGY: 4344400 726.4351 2099.8744 1928.5356 112.3698 -205999.4890 17889.7249 0.0000 0.0000 34165.9665 -149076.5827 298.3799 -183242.5492 -148982.2453 299.3887 -19.5004 15.8115 558468.1072 6.8524 6.8907 PRESSURE: 4344600 -108.517 60.2026 7.19836 60.2024 25.1717 -127.243 7.19853 -127.243 97.267 GPRESSURE: 4344600 -92.9899 72.6034 13.6852 37.7319 60.2046 -165.481 -4.00631 -67.1539 146.615 PRESSAVG: 4344600 -20.5971 -27.168 32.3971 -27.168 -43.1344 -31.6192 32.3971 -31.6192 49.0923 GPRESSAVG: 4344600 -19.4032 -26.4965 31.8861 -29.565 -45.0497 -33.3604 31.5195 -31.5324 49.4845 TIMING: 4344600 CPU: 13055.6, 0.00295696/step Wall: 13055.6, 0.00295696/step, 0.538331 hours remaining, 210.257812 MB of memory in use. ENERGY: 4344600 739.1550 2019.9712 1919.9651 103.1313 -205968.5314 17836.4211 0.0000 0.0000 34140.5266 -149209.3611 298.1577 -183349.8876 -149124.9902 300.1397 4.6405 37.9431 558522.6239 -4.8797 -4.9895 PRESSURE: 4344800 -239.94 -161.553 -51.5667 -161.553 -63.1771 84.2774 -51.5659 84.2778 75.8091 GPRESSURE: 4344800 -174.236 -179.557 -51.9567 -138.891 -51.7592 118.942 -13.3949 88.282 102.005 PRESSAVG: 4344800 23.8934 -14.8983 -18.5719 -14.8983 -46.1579 -55.8711 -18.5718 -55.871 21.2411 GPRESSAVG: 4344800 23.3615 -16.8279 -19.906 -12.6383 -45.8301 -54.0659 -18.5589 -57.4137 21.6161 TIMING: 4344800 CPU: 13056.2, 0.00296805/step Wall: 13056.2, 0.00296805/step, 0.540185 hours remaining, 210.257812 MB of memory in use. ENERGY: 4344800 739.6558 2081.2551 1952.1409 111.2433 -205862.7846 17598.1775 0.0000 0.0000 34315.7242 -149064.5878 299.6878 -183380.3120 -148973.7100 299.7215 -75.7693 -41.3299 558363.0494 -0.3411 -0.2842 PRESSURE: 4345000 91.9173 -111.765 7.05984 -111.764 -135.809 -72.1978 7.06098 -72.1981 3.53951 GPRESSURE: 4345000 67.7094 -174.252 32.5986 -24.4437 -77.579 -50.3528 -23.723 62.2364 64.1419 PRESSAVG: 4345000 47.4967 -8.91078 -13.2467 -8.91086 -54.3509 23.305 -13.2467 23.3051 50.5903 GPRESSAVG: 4345000 46.1981 -8.58058 -11.2614 -9.03535 -53.2879 23.1246 -13.7986 25.3115 50.5468 TIMING: 4345000 CPU: 13056.8, 0.00297266/step Wall: 13056.8, 0.00297266/step, 0.540859 hours remaining, 210.257812 MB of memory in use. ENERGY: 4345000 751.2475 2146.2432 1935.3391 112.7439 -205818.7157 17682.7842 0.0000 0.0000 34172.6992 -149017.6585 298.4387 -183190.3577 -148925.3017 299.7758 -13.4507 18.0908 558486.2552 14.5787 14.4857 PRESSURE: 4345200 86.0475 73.7991 72.8847 73.7992 -137.182 56.6667 72.8863 56.6661 -320.976 GPRESSURE: 4345200 92.8221 113.892 58.6228 17.822 -154.987 5.17896 149.277 105.798 -209.509 PRESSAVG: 4345200 19.7559 1.0831 3.93109 1.08308 -37.0937 -17.1148 3.93105 -17.1149 21.1827 GPRESSAVG: 4345200 21.0124 1.98659 2.30324 1.65616 -38.2809 -15.2051 5.44128 -21.0109 20.677 TIMING: 4345200 CPU: 13057.4, 0.00295592/step Wall: 13057.4, 0.00295592/step, 0.53765 hours remaining, 210.460938 MB of memory in use. ENERGY: 4345200 731.6347 2093.5476 1943.4528 114.4566 -206137.2280 17700.3310 0.0000 0.0000 34412.9646 -149140.8406 300.5370 -183553.8052 -149050.2789 299.1830 -124.0368 -90.5579 559399.0425 1.2816 1.1362 PRESSURE: 4345400 -64.32 94.3781 189.775 94.3779 -89.9902 111.488 189.773 111.487 -268.549 GPRESSURE: 4345400 41.3044 70.3208 222.132 195.889 -143.69 65.0546 115.026 66.6953 -215.74 PRESSAVG: 4345400 -10.7128 47.2959 -6.61372 47.2959 -29.9552 -14.9494 -6.61363 -14.9494 -11.1564 GPRESSAVG: 4345400 -12.1201 46.3538 -6.81076 46.3043 -28.6687 -16.4592 -6.93474 -12.9874 -10.7598 TIMING: 4345400 CPU: 13058, 0.00298849/step Wall: 13058, 0.00298849/step, 0.543408 hours remaining, 210.460938 MB of memory in use. ENERGY: 4345400 732.2230 2099.2764 1937.1975 102.9702 -205824.1662 17708.1512 0.0000 0.0000 34285.3859 -148958.9619 299.4228 -183244.3479 -148863.6469 299.2367 -140.9530 -106.0417 559969.6589 -17.2748 -17.1829 PRESSURE: 4345600 -29.9907 99.0657 26.2549 99.0659 -140.81 -48.9381 26.2549 -48.938 -30.5008 GPRESSURE: 4345600 14.7969 105.363 24.7312 66.6726 -70.372 29.3094 53.8246 -80.1759 -37.6788 PRESSAVG: 4345600 -27.2637 24.5158 10.7117 24.5157 26.3831 20.2617 10.7117 20.2618 -11.2373 GPRESSAVG: 4345600 -26.338 25.7088 10.8595 26.0878 26.4189 20.3714 10.7931 20.9726 -12.5685 TIMING: 4345600 CPU: 13058.6, 0.00299714/step Wall: 13058.6, 0.00299714/step, 0.544814 hours remaining, 210.460938 MB of memory in use. ENERGY: 4345600 727.0974 2140.9538 1929.9734 95.5245 -205783.1297 17702.9032 0.0000 0.0000 34084.1560 -149102.5213 297.6654 -183186.6773 -149010.0049 299.0873 -67.1006 -31.0847 559669.8918 -4.0393 -4.1625 PRESSURE: 4345800 65.1358 -34.895 28.2022 -34.8958 -29.7701 -72.6108 28.2012 -72.6084 144.376 GPRESSURE: 4345800 60.8795 81.738 55.2088 -170.993 66.4564 -68.7129 48.7651 -48.3342 153.948 PRESSAVG: 4345800 -39.1919 39.855 23.7586 39.8551 21.6483 49.1097 23.7587 49.1096 11.3972 GPRESSAVG: 4345800 -39.3639 40.7699 25.5618 37.2219 21.7646 49.1933 22.8897 48.8798 11.3254 TIMING: 4345800 CPU: 13059.2, 0.00301362/step Wall: 13059.2, 0.00301362/step, 0.547641 hours remaining, 210.460938 MB of memory in use. ENERGY: 4345800 717.7526 2048.0291 1956.7286 109.9746 -206270.7364 17981.1957 0.0000 0.0000 34235.3299 -149221.7258 298.9857 -183457.0557 -149129.1788 299.2584 59.9139 93.7613 558281.8112 -2.0488 -2.0913 PRESSURE: 4346000 -68.1212 25.268 90.3176 25.2679 48.6233 -51.4959 90.3182 -51.4966 -239.76 GPRESSURE: 4346000 -58.8377 -5.09088 50.1123 -29.8469 49.2708 -11.9137 52.151 2.43198 -167.99 PRESSAVG: 4346000 -30.8889 25.1836 29.3144 25.1834 21.6159 3.4608 29.3144 3.46079 32.2826 GPRESSAVG: 4346000 -30.4802 22.927 30.2682 25.9855 21.4531 1.61911 28.2409 4.48398 31.705 TIMING: 4346000 CPU: 13059.8, 0.00301178/step Wall: 13059.8, 0.00301178/step, 0.547141 hours remaining, 210.460938 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: 4346000 770.9600 2089.4800 1949.0468 109.1883 -205980.3784 17849.0215 0.0000 0.0000 34130.4011 -149082.2807 298.0693 -183212.6819 -148992.5961 299.5927 -86.4191 -59.1855 559671.1485 7.6699 7.5593 PRESSURE: 4346200 -38.0009 27.7998 105.655 27.8001 -118.976 -105.961 105.654 -105.962 -155.409 GPRESSURE: 4346200 -69.9057 -7.26409 45.8327 34.6024 -59.8717 -125.724 126.822 -72.8363 -87.4319 PRESSAVG: 4346200 15.2346 34.2988 23.3821 34.2987 25.8848 18.3634 23.382 18.3635 -28.6808 GPRESSAVG: 4346200 14.4151 36.3373 21.1415 33.7975 26.2153 21.0054 24.062 18.4623 -27.9789 TIMING: 4346200 CPU: 13060.4, 0.00297303/step Wall: 13060.4, 0.00297303/step, 0.539935 hours remaining, 210.460938 MB of memory in use. ENERGY: 4346200 729.0880 2130.9744 1959.5672 127.7714 -206104.6748 17794.6504 0.0000 0.0000 34434.9125 -148927.7109 300.7287 -183362.6234 -148833.9677 300.0141 -104.1286 -72.4031 558111.3696 4.1462 4.2172 PRESSURE: 4346400 69.8299 1.51179 22.4018 1.51083 -296.141 -249.521 22.4024 -249.521 -37.5282 GPRESSURE: 4346400 128.429 -45.1813 -14.2298 -39.2402 -246.677 -174.066 9.11383 -315.583 -42.1365 PRESSAVG: 4346400 10.5047 2.20962 40.9325 2.20964 -17.3685 22.4125 40.9324 22.4126 -33.2333 GPRESSAVG: 4346400 10.1485 1.25472 41.6231 0.82622 -16.9161 21.9574 40.4394 22.1151 -32.5579 TIMING: 4346400 CPU: 13061, 0.00300138/step Wall: 13061, 0.00300138/step, 0.544917 hours remaining, 210.460938 MB of memory in use. ENERGY: 4346400 806.9260 2123.5727 1955.4552 127.2522 -206105.2018 17824.6441 0.0000 0.0000 34223.9502 -149043.4013 298.8863 -183267.3515 -148953.5071 300.2615 -87.9463 -53.4615 558861.7845 -13.3657 -13.1085 PRESSURE: 4346600 74.5335 -128.515 -112.375 -128.513 163.891 8.39356 -112.375 8.39295 13.1705 GPRESSURE: 4346600 124.211 -61.297 -63.1154 -126.974 170.072 -2.3702 0.966414 -80.1828 46.4065 PRESSAVG: 4346600 -30.4092 -11.9608 40.1512 -11.9608 57.1518 -22.5881 40.1511 -22.5881 -61.4512 GPRESSAVG: 4346600 -30.3478 -12.5794 39.9777 -9.84515 57.0967 -23.7211 39.8038 -24.369 -61.1608 TIMING: 4346600 CPU: 13061.6, 0.00303135/step Wall: 13061.6, 0.00303135/step, 0.55019 hours remaining, 210.460938 MB of memory in use. ENERGY: 4346600 720.5755 2100.1471 1908.7624 110.7852 -206388.8631 17990.6955 0.0000 0.0000 34375.6201 -149182.2774 300.2108 -183557.8974 -149083.0096 298.8629 83.8649 113.5633 558975.3744 -11.5695 -11.4706 PRESSURE: 4346800 114.249 54.7502 73.6367 54.7484 172.863 41.2823 73.6366 41.2822 -103.938 GPRESSURE: 4346800 140.913 -45.7202 -2.39182 76.1083 159.327 83.6885 202.705 2.06926 -9.13747 PRESSAVG: 4346800 -7.65394 -6.95393 3.37066 -6.95385 38.3756 -31.3454 3.37071 -31.3454 -30.3876 GPRESSAVG: 4346800 -7.52009 -7.77181 2.60436 -6.65848 38.1846 -30.7919 4.15033 -28.715 -30.2534 TIMING: 4346800 CPU: 13062.2, 0.00301245/step Wall: 13062.2, 0.00301245/step, 0.546592 hours remaining, 210.531250 MB of memory in use. ENERGY: 4346800 727.0600 2101.7810 1964.7556 116.9441 -206253.9662 17970.1841 0.0000 0.0000 34422.9047 -148950.3367 300.6238 -183373.2414 -148855.8830 299.3254 61.0580 97.0343 558185.8797 0.1114 0.1370 PRESSURE: 4347000 167.871 -20.8679 -17.4732 -20.8685 -17.6505 1.77055 -17.4734 1.76918 196.021 GPRESSURE: 4347000 186.216 55.2376 66.1657 -150.353 -1.14632 -30.5196 -23.4933 74.9669 255.179 PRESSAVG: 4347000 46.0706 -78.9465 -36.2016 -78.9464 20.7122 7.68311 -36.2015 7.68308 -39.0805 GPRESSAVG: 4347000 45.871 -77.5236 -34.3024 -81.644 20.7208 8.18703 -37.2622 6.1001 -38.8147 TIMING: 4347000 CPU: 13062.8, 0.00299195/step Wall: 13062.8, 0.00299195/step, 0.542707 hours remaining, 210.531250 MB of memory in use. ENERGY: 4347000 784.5725 2123.8918 1943.4695 113.5618 -206281.1996 18025.4657 0.0000 0.0000 34467.2450 -148822.9932 301.0110 -183290.2383 -148732.9961 300.4152 115.4137 146.7498 557746.9315 9.2341 9.2590 PRESSURE: 4347200 -44.7861 249.824 66.0963 249.823 -298.179 -63.5817 66.0948 -63.5816 147.118 GPRESSURE: 4347200 -4.77828 84.3267 4.56782 295.193 -295.197 24.6497 77.5621 -118.002 203.123 PRESSAVG: 4347200 -36.1168 -54.6568 0.802159 -54.6568 -34.1224 -12.4832 0.80216 -12.4832 88.5072 GPRESSAVG: 4347200 -35.7336 -54.8213 -0.279575 -52.7974 -35.0163 -12.3437 0.607987 -13.0121 88.6874 TIMING: 4347200 CPU: 13063.4, 0.002972/step Wall: 13063.4, 0.00297199/step, 0.538922 hours remaining, 210.531250 MB of memory in use. ENERGY: 4347200 749.4628 2084.4353 1939.5438 103.5719 -206037.6227 17694.7533 0.0000 0.0000 34545.4456 -148920.4101 301.6940 -183465.8557 -148826.6769 300.3052 -65.2823 -32.2839 557133.9655 6.0893 5.9792 PRESSURE: 4347400 -235.943 12.6621 85.6493 12.6623 -143.033 -103.995 85.6506 -103.992 -239.538 GPRESSURE: 4347400 -247.632 -75.5049 17.9321 87.4597 -72.3398 -100.175 136.99 -118.366 -203.843 PRESSAVG: 4347400 43.603 -9.87345 38.6456 -9.87348 -60.7833 -50.7587 38.6456 -50.7587 62.2823 GPRESSAVG: 4347400 43.5208 -11.7104 38.0924 -8.84648 -59.6079 -48.7007 40.5937 -52.4913 61.079 TIMING: 4347400 CPU: 13064, 0.00299521/step Wall: 13064, 0.00299521/step, 0.542965 hours remaining, 210.531250 MB of memory in use. ENERGY: 4347400 748.9941 2096.8663 1953.3852 110.4344 -205792.9257 17508.2727 0.0000 0.0000 34413.9073 -148961.0657 300.5452 -183374.9730 -148861.4469 300.5646 -206.1713 -174.6052 558846.1352 15.0340 14.9973 PRESSURE: 4347600 -25.6077 -0.292846 28.4404 -0.293755 -77.7057 1.66929 28.4398 1.66979 102.272 GPRESSURE: 4347600 8.83731 -77.5851 -20.859 -34.5019 -53.0711 15.1329 70.7489 -69.3159 146.718 PRESSAVG: 4347600 -76.6533 -3.46947 -52.8273 -3.46932 -1.15731 -47.9054 -52.8273 -47.9053 24.5901 GPRESSAVG: 4347600 -76.0462 -1.3294 -53.8112 -4.75651 -1.34671 -51.0459 -54.4932 -47.9374 24.2585 TIMING: 4347600 CPU: 13064.6, 0.00296368/step Wall: 13064.6, 0.00296368/step, 0.537085 hours remaining, 210.531250 MB of memory in use. ENERGY: 4347600 742.3880 2107.6966 1936.3321 114.7868 -205649.6208 17524.6024 0.0000 0.0000 34433.1310 -148790.6840 300.7131 -183223.8150 -148701.1877 300.5090 -0.3471 34.1615 557065.5353 -17.7402 -17.7115 PRESSURE: 4347800 139.054 -109.731 -39.1841 -109.731 92.0043 3.63832 -39.1831 3.63807 -47.5934 GPRESSURE: 4347800 193.425 -68.0876 -18.812 -138.334 146.34 -1.63274 -12.1152 -9.65384 -53.4786 PRESSAVG: 4347800 5.57792 -17.1422 -21.5881 -17.1421 -16.3517 2.82575 -21.5882 2.82571 30.697 GPRESSAVG: 4347800 5.53174 -16.0628 -19.9871 -16.9643 -16.6369 2.16076 -20.1978 4.44198 30.9706 TIMING: 4347800 CPU: 13065.2, 0.00295454/step Wall: 13065.2, 0.00295454/step, 0.535265 hours remaining, 210.531250 MB of memory in use. ENERGY: 4347800 735.5812 2110.1327 1950.3836 114.4870 -206335.5702 17839.6001 0.0000 0.0000 34516.2526 -149069.1331 301.4390 -183585.3856 -148975.1328 300.7110 61.1549 95.4289 556265.5102 6.6411 6.6218 PRESSURE: 4348000 -223.454 -166.635 -73.4301 -166.635 -7.75984 -74.3321 -73.4317 -74.3321 -98.1821 GPRESSURE: 4348000 -139.829 -215.109 -82.6382 -220.15 10.1976 -67.3156 -109.242 44.263 -108.386 PRESSAVG: 4348000 62.1096 -62.9702 -42.6812 -62.9702 -24.2521 -8.05718 -42.6812 -8.05722 -11.4227 GPRESSAVG: 4348000 62.7159 -65.391 -41.0729 -61.9811 -24.4032 -8.48858 -45.3016 -7.45201 -11.9387 TIMING: 4348000 CPU: 13065.8, 0.00298363/step Wall: 13065.8, 0.00298363/step, 0.540368 hours remaining, 210.531250 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: 4348000 753.4593 2014.4038 1969.2704 104.2999 -206067.6899 17780.1664 0.0000 0.0000 34473.6126 -148972.4775 301.0666 -183446.0901 -148873.5055 300.0525 -109.7987 -79.3392 557760.8961 8.8116 8.7913 PRESSURE: 4348200 -55.785 -12.2556 74.6219 -12.2559 -101.518 -26.7245 74.6214 -26.7235 -107.813 GPRESSURE: 4348200 -27.9897 -3.12594 3.76598 -10.8594 -58.5655 -27.5182 138.433 -75.2326 -77.5045 PRESSAVG: 4348200 -78.9423 4.26819 -24.4698 4.2682 -1.25808 -32.2609 -24.4698 -32.261 8.64086 GPRESSAVG: 4348200 -79.4502 3.69562 -26.2927 5.71282 -0.380534 -30.2041 -22.4238 -32.0664 8.41936 TIMING: 4348200 CPU: 13066.4, 0.00302409/step Wall: 13066.4, 0.00302409/step, 0.547528 hours remaining, 210.531250 MB of memory in use. ENERGY: 4348200 744.7458 2071.4871 1942.1778 117.6371 -205305.8810 17386.6444 0.0000 0.0000 34015.8799 -149027.3089 297.0691 -183043.1888 -148940.0839 300.3965 -88.3723 -54.6866 557889.5114 -23.8532 -23.8038 LDB: ============= START OF LOAD BALANCING ============== 13069.9 LDB: ============== END OF LOAD BALANCING =============== 13069.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13069.9 LDB: ============= START OF LOAD BALANCING ============== 13070.2 LDB: Largest compute 4773 load 0.027154 is 23.0% of average load 0.118217 LDB: Average compute 0.001728 is 1.5% of average load 0.118217 LDB: TIME 13070.2 LOAD: AVG 0.118217 MAX 0.209583 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.094 MB LDB: TIME 13070.2 LOAD: AVG 0.118217 MAX 0.209583 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.16 MB LDB: TIME 13070.2 LOAD: AVG 0.118217 MAX 0.209583 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.16 MB LDB: ============== END OF LOAD BALANCING =============== 13070.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13070.2 PRESSURE: 4348400 32.5408 299.66 -59.0652 299.66 30.052 21.4683 -59.0663 21.467 95.5516 GPRESSURE: 4348400 89.0492 382.231 -15.5924 227.873 83.0874 8.27215 -77.2228 41.88 92.8677 PRESSAVG: 4348400 -7.60828 33.0589 -14.4411 33.0587 41.1893 31.9181 -14.4411 31.9181 -48.9354 GPRESSAVG: 4348400 -8.10154 33.9571 -14.1392 31.9024 41.1618 31.5845 -13.5518 30.6619 -48.1081 TIMING: 4348400 CPU: 13067, 0.00305505/step Wall: 13067, 0.00305505/step, 0.552963 hours remaining, 212.003906 MB of memory in use. ENERGY: 4348400 742.3065 2048.5233 1958.5425 118.5756 -206099.1359 17768.7220 0.0000 0.0000 34235.0238 -149227.4422 298.9830 -183462.4660 -149134.8972 299.6972 52.7148 88.3348 556227.5196 -5.1181 -5.0160 PRESSURE: 4348600 118.012 65.9134 -47.0339 65.914 -128.615 -5.39183 -47.0344 -5.39147 6.99188 GPRESSURE: 4348600 161.139 29.0422 -36.1269 112.069 -92.4275 -1.68681 -36.1162 -20.7373 19.5496 PRESSAVG: 4348600 21.02 10.167 -10.4042 10.167 -1.65466 8.06732 -10.4043 8.06746 -47.013 GPRESSAVG: 4348600 20.9477 9.51774 -11.3666 12.5262 -2.05133 9.16002 -11.1332 7.50198 -46.3607 TIMING: 4348600 CPU: 13067.6, 0.00300179/step Wall: 13067.6, 0.00300179/step, 0.543158 hours remaining, 212.187500 MB of memory in use. ENERGY: 4348600 732.3101 2113.2468 1918.9637 116.3319 -205711.1886 17561.4038 0.0000 0.0000 34073.8311 -149195.1011 297.5752 -183268.9323 -149102.6055 298.2735 -1.2038 29.4203 556706.2819 -9.2159 -9.1547 PRESSURE: 4348800 397.774 -92.1189 -126.815 -92.1192 -112.734 -163.897 -126.814 -163.898 -154.502 GPRESSURE: 4348800 353.553 -84.7635 -111.321 -124.842 -71.8576 -199.667 -143.414 -191.784 -71.437 PRESSAVG: 4348800 11.9557 -27.7586 -44.0374 -27.7586 13.4546 14.3802 -44.0374 14.3802 -19.1239 GPRESSAVG: 4348800 13.1063 -26.1227 -45.2813 -31.0688 12.4405 12.1217 -43.3678 16.1058 -19.3872 TIMING: 4348800 CPU: 13068.2, 0.00295296/step Wall: 13068.2, 0.00295296/step, 0.534159 hours remaining, 212.187500 MB of memory in use. ENERGY: 4348800 707.8584 2077.7824 1964.6660 119.3403 -205974.5796 17718.2673 0.0000 0.0000 34294.4057 -149092.2595 299.5016 -183386.6653 -148990.7910 299.8797 43.5126 70.0861 556819.3525 2.0954 2.0532 PRESSURE: 4349000 33.7054 55.4203 34.904 55.421 72.3246 110.445 34.9034 110.442 8.11397 GPRESSURE: 4349000 18.5243 110.125 62.1757 -23.8431 152.008 74.2145 56.0771 149.44 38.7812 PRESSAVG: 4349000 16.332 -44.9112 41.2936 -44.9111 -12.3451 -22.166 41.2937 -22.166 -16.9222 GPRESSAVG: 4349000 15.4285 -44.6847 42.423 -43.9749 -11.5373 -21.5226 39.0376 -24.4514 -17.012 TIMING: 4349000 CPU: 13068.8, 0.00298785/step Wall: 13068.8, 0.00298785/step, 0.540303 hours remaining, 212.187500 MB of memory in use. ENERGY: 4349000 767.9213 2100.2136 1919.9833 107.3069 -205985.3189 17787.3155 0.0000 0.0000 34264.0984 -149038.4799 299.2369 -183302.5783 -148940.3718 299.4434 38.0480 69.7712 556743.8007 -4.3118 -4.3736 PRESSURE: 4349200 35.2744 -60.5567 -30.8202 -60.5568 -98.9603 106.071 -30.8206 106.071 203.916 GPRESSURE: 4349200 66.7811 -91.8659 -64.4015 -45.4033 -15.7988 133.523 70.8414 158.691 182.858 PRESSAVG: 4349200 10.639 35.6832 31.3775 35.6833 36.0404 35.4201 31.3775 35.4201 -23.9571 GPRESSAVG: 4349200 11.2255 32.1721 29.5922 38.0493 36.6349 36.4731 31.9262 36.0304 -25.0421 TIMING: 4349200 CPU: 13069.4, 0.00298815/step Wall: 13069.4, 0.00298815/step, 0.540191 hours remaining, 212.187500 MB of memory in use. ENERGY: 4349200 734.6684 2111.2805 1967.0184 122.6395 -205744.1188 17609.3594 0.0000 0.0000 34293.3673 -148905.7852 299.4925 -183199.1525 -148806.5049 300.4929 46.7435 77.9467 555875.4141 7.5741 7.6061 PRESSURE: 4349400 -189.462 -40.7521 -77.3653 -40.7526 -23.3912 35.5401 -77.3662 35.5406 25.1056 GPRESSURE: 4349400 -150.443 -76.2763 -89.8663 -3.20322 -33.1934 66.7168 -93.477 33.8712 101.089 PRESSAVG: 4349400 -39.4204 4.0148 -29.6024 4.01481 -28.8687 -35.9151 -29.6025 -35.9152 59.137 GPRESSAVG: 4349400 -39.73 5.19526 -27.3276 3.23982 -29.5596 -35.31 -28.5213 -36.7307 59.5843 TIMING: 4349400 CPU: 13070, 0.00300618/step Wall: 13070, 0.00300618/step, 0.543283 hours remaining, 212.187500 MB of memory in use. ENERGY: 4349400 754.9049 2100.6269 1962.3857 105.7241 -205628.7491 17522.9866 0.0000 0.0000 34143.4327 -149038.6882 298.1831 -183182.1209 -148941.8470 300.7749 -62.5825 -27.5157 557421.2001 -3.0507 -3.2351 PRESSURE: 4349600 -428.769 -95.3317 -132.837 -95.3334 -266.034 34.6263 -132.838 34.6251 -476.46 GPRESSURE: 4349600 -376.608 -98.6083 -58.0589 -63.4928 -255.796 49.2153 -207.003 21.9475 -430.624 PRESSAVG: 4349600 -52.2041 -28.1375 7.52508 -28.1375 0.967572 -29.1073 7.52503 -29.1073 32.6287 GPRESSAVG: 4349600 -51.9897 -26.0835 9.11067 -28.7511 0.424522 -30.8884 7.35226 -30.456 33.2733 TIMING: 4349600 CPU: 13070.6, 0.00299136/step Wall: 13070.6, 0.00299136/step, 0.540439 hours remaining, 212.187500 MB of memory in use. ENERGY: 4349600 816.3168 2051.6101 1943.6385 107.8964 -205685.0328 17422.1017 0.0000 0.0000 34256.4374 -149087.0319 299.1700 -183343.4693 -148987.6954 299.5658 -390.4208 -354.3424 559133.7361 -6.2026 -6.0973 PRESSURE: 4349800 -205.917 -45.3502 -64.4982 -45.3478 -227.303 45.4584 -64.4975 45.4597 15.8569 GPRESSURE: 4349800 -156.316 -112.725 -48.5957 64.9578 -171.238 100.315 -132.675 37.582 3.13583 PRESSAVG: 4349800 -35.9103 -81.6567 6.46475 -81.6567 -40.1753 36.6925 6.46477 36.6923 62.2168 GPRESSAVG: 4349800 -35.5122 -80.6073 3.83557 -82.0731 -38.3832 36.3903 6.60714 39.6228 59.3962 TIMING: 4349800 CPU: 13071.2, 0.00295833/step Wall: 13071.2, 0.00295833/step, 0.534307 hours remaining, 212.187500 MB of memory in use. ENERGY: 4349800 747.7928 2128.2334 1924.8119 99.2528 -205764.0590 17485.8858 0.0000 0.0000 34245.5401 -149132.5423 299.0748 -183378.0824 -149039.5748 299.5014 -139.1209 -108.1395 557136.0089 -4.6229 -4.8330 PRESSURE: 4350000 367.651 26.281 -145.506 26.282 276.981 -0.379131 -145.505 -0.380228 78.4801 GPRESSURE: 4350000 393.916 -16.7218 -66.093 12.7262 280.409 -15.0898 -178.055 -3.16145 124.112 PRESSAVG: 4350000 -46.9339 -20.8217 40.6971 -20.8217 -16.3893 27.7287 40.6972 27.7287 49.009 GPRESSAVG: 4350000 -47.0612 -21.522 41.6104 -19.917 -17.3885 27.7155 39.2435 25.6784 49.7094 TIMING: 4350000 CPU: 13071.8, 0.00300549/step Wall: 13071.8, 0.00300549/step, 0.542658 hours remaining, 212.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4350000 726.4822 2153.7897 1965.2392 123.7176 -206566.5901 18233.8433 0.0000 0.0000 34120.3008 -149243.2173 297.9811 -183363.5181 -149152.7905 299.1834 241.0373 266.1459 557056.3081 -4.7714 -4.9134 PRESSURE: 4350200 45.6693 -38.1787 103.378 -38.1791 -218.598 -59.6198 103.379 -59.62 -416.357 GPRESSURE: 4350200 81.1671 -17.1056 146.931 -185.001 -176.221 -33.0201 23.7135 -112.324 -398.521 PRESSAVG: 4350200 32.385 -1.42417 29.167 -1.42413 -23.3452 -12.4509 29.1669 -12.451 -34.2049 GPRESSAVG: 4350200 32.8518 -0.704714 28.4907 -3.73744 -23.8932 -12.4249 29.6893 -12.0887 -33.7864 TIMING: 4350200 CPU: 13072.4, 0.00299334/step Wall: 13072.4, 0.00299334/step, 0.540298 hours remaining, 212.187500 MB of memory in use. ENERGY: 4350200 753.9559 2086.5933 1997.5158 112.8784 -205760.1886 17527.3488 0.0000 0.0000 34266.0630 -149015.8336 299.2541 -183281.8965 -148909.5699 299.7328 -196.4283 -164.5251 558355.7895 -8.3884 -8.2759 PRESSURE: 4350400 105.448 -34.0257 3.20116 -34.0262 -164.542 20.2216 3.19883 20.2211 -151.539 GPRESSURE: 4350400 184.946 8.0948 -37.533 -95.135 -139.626 38.2359 -118.953 29.9983 -150.577 PRESSAVG: 4350400 -17.4169 22.9469 27.6402 22.9468 -11.7567 44.4631 27.6402 44.4632 11.2973 GPRESSAVG: 4350400 -18.7024 21.5715 29.1845 23.9872 -10.5788 42.6627 26.2936 46.4119 11.917 TIMING: 4350400 CPU: 13072.9, 0.00296685/step Wall: 13072.9, 0.00296685/step, 0.535352 hours remaining, 212.187500 MB of memory in use. ENERGY: 4350400 741.3846 2075.8755 1952.4384 103.1187 -205911.5639 17588.9177 0.0000 0.0000 34243.3240 -149206.5048 299.0555 -183449.8288 -149095.6549 300.1492 -70.2110 -35.0857 557495.9504 -5.9588 -5.7881 PRESSURE: 4350600 -45.6399 85.6338 5.18296 85.6339 175.61 55.788 5.18295 55.7872 -70.3775 GPRESSURE: 4350600 -28.0995 75.8578 70.6261 138.486 216.028 66.64 -6.70075 75.8075 -34.4877 PRESSAVG: 4350600 -8.65395 36.6682 58.5452 36.6681 25.5402 9.36967 58.5452 9.36967 -11.4219 GPRESSAVG: 4350600 -7.9559 38.1878 57.4686 35.2177 25.2458 13.2556 61.1299 7.20602 -12.0255 TIMING: 4350600 CPU: 13073.5, 0.00301361/step Wall: 13073.5, 0.00301361/step, 0.543622 hours remaining, 212.187500 MB of memory in use. ENERGY: 4350600 749.6131 2127.3850 1956.6725 113.7320 -206336.4533 17795.3936 0.0000 0.0000 34311.5837 -149282.0733 299.6516 -183593.6570 -149183.9228 299.6468 19.8642 51.1468 556562.4521 1.8214 1.7548 PRESSURE: 4350800 13.7004 9.38452 22.7877 9.3861 94.1304 107.794 22.788 107.793 77.8772 GPRESSURE: 4350800 59.2233 -23.1688 -17.6248 102.797 144.467 81.4937 44.8937 248.567 78.271 PRESSAVG: 4350800 -3.67719 5.69838 29.6925 5.69837 62.2612 10.3028 29.6926 10.3027 23.8635 GPRESSAVG: 4350800 -4.13968 2.72982 28.9269 8.95339 63.7508 8.41666 31.4231 11.8108 23.1331 TIMING: 4350800 CPU: 13074.2, 0.00302244/step Wall: 13074.2, 0.00302244/step, 0.545047 hours remaining, 212.187500 MB of memory in use. ENERGY: 4350800 729.0216 2120.4891 1939.9406 110.0162 -206635.7921 18031.9544 0.0000 0.0000 34433.1168 -149271.2533 300.7130 -183704.3702 -149178.5450 299.2369 61.9026 93.9870 557173.9897 27.4825 27.5814 PRESSURE: 4351000 -120.095 23.7463 -33.1151 23.7466 77.5786 132.534 -33.1156 132.534 -15.2555 GPRESSURE: 4351000 -59.0269 8.38537 -27.7598 11.9593 52.9909 139.468 -61.1713 191.727 43.9269 PRESSAVG: 4351000 -22.8618 -41.1181 5.91027 -41.1181 80.6453 16.6395 5.91026 16.6395 11.0329 GPRESSAVG: 4351000 -22.698 -38.3187 6.5456 -42.0202 79.799 15.6737 3.11399 15.4986 11.7814 TIMING: 4351000 CPU: 13074.7, 0.00297098/step Wall: 13074.7, 0.00297098/step, 0.535601 hours remaining, 212.187500 MB of memory in use. ENERGY: 4351000 751.5834 2115.1060 1959.6691 133.5861 -206011.7977 17757.5328 0.0000 0.0000 34384.7829 -148909.5374 300.2909 -183294.3203 -148818.0460 299.8817 -19.2572 12.6303 557181.2353 22.9388 22.9608 PRESSURE: 4351200 94.0588 -118.742 -202.669 -118.743 227.306 78.3762 -202.67 78.3773 -239.313 GPRESSURE: 4351200 191.307 -129.825 -131.264 -176.482 245.961 41.3215 -250.954 96.8218 -260.421 PRESSAVG: 4351200 -38.8544 -43.8331 -85.6591 -43.8331 27.2941 -22.5289 -85.659 -22.5288 -1.64813 GPRESSAVG: 4351200 -40.4841 -43.3597 -86.8637 -43.9906 28.9907 -22.9244 -84.7627 -22.6229 -1.82218 TIMING: 4351200 CPU: 13075.3, 0.00293978/step Wall: 13075.3, 0.00293978/step, 0.529814 hours remaining, 212.187500 MB of memory in use. ENERGY: 4351200 755.3141 2091.3924 1938.6323 106.5692 -206200.6370 17924.0431 0.0000 0.0000 34457.4108 -148927.2751 300.9251 -183384.6859 -148828.7243 301.1808 27.3505 58.9489 557080.2248 -4.4028 -4.4385 PRESSURE: 4351400 -355.021 -9.68196 -57.5875 -9.68226 -203.382 72.3026 -57.587 72.302 -353.671 GPRESSURE: 4351400 -320.574 -15.162 66.6189 -53.5718 -199.228 56.9111 -161.48 48.2922 -283.807 PRESSAVG: 4351400 24.4559 12.4891 -41.0746 12.4891 40.9621 36.0893 -41.0746 36.0893 -37.3227 GPRESSAVG: 4351400 25.794 12.7514 -40.9031 11.0777 39.7923 38.2577 -40.8646 36.6953 -37.592 TIMING: 4351400 CPU: 13075.9, 0.00300077/step Wall: 13075.9, 0.00300077/step, 0.54064 hours remaining, 212.187500 MB of memory in use. ENERGY: 4351400 767.0168 2153.5089 1939.3830 116.3079 -205746.2878 17428.1215 0.0000 0.0000 34275.7230 -149066.2267 299.3384 -183341.9497 -148968.6889 300.6139 -304.0247 -267.8698 558052.8938 9.3651 9.3314 PRESSURE: 4351600 -163.456 -164.33 8.65008 -164.329 3.7233 27.7413 8.65057 27.7421 -115.674 GPRESSURE: 4351600 -172.78 -118.093 35.8222 -166.619 60.7074 1.48069 13.6809 69.0533 -66.9714 PRESSAVG: 4351600 -69.0517 -29.2138 15.5922 -29.2138 27.2786 -62.4427 15.5923 -62.4426 44.8987 GPRESSAVG: 4351600 -67.9641 -30.1722 18.4249 -27.3504 26.8337 -64.3852 14.2644 -62.4973 44.2755 TIMING: 4351600 CPU: 13076.5, 0.00299769/step Wall: 13076.5, 0.00299769/step, 0.539918 hours remaining, 212.187500 MB of memory in use. ENERGY: 4351600 751.2354 2126.4848 1948.1914 124.6903 -205801.6574 17605.4910 0.0000 0.0000 34307.8554 -148937.7091 299.6190 -183245.5645 -148845.1344 299.6156 -91.8023 -59.6815 558056.2937 1.0419 1.0484 PRESSURE: 4351800 99.0664 -106.722 154.423 -106.723 80.1664 46.0813 154.422 46.0807 313.419 GPRESSURE: 4351800 165.66 -123.244 93.7739 -56.272 70.6416 29.4374 113.565 61.4049 355.368 PRESSAVG: 4351800 -26.4359 9.71706 -25.7279 9.71712 -35.4894 59.5432 -25.7279 59.5431 35.3578 GPRESSAVG: 4351800 -26.9566 9.82688 -27.054 8.77467 -35.1279 61.1953 -25.5587 58.9048 35.1549 TIMING: 4351800 CPU: 13077.1, 0.00295646/step Wall: 13077.1, 0.00295646/step, 0.532327 hours remaining, 212.187500 MB of memory in use. ENERGY: 4351800 744.0299 2106.4260 1934.8156 116.8621 -206190.4255 18177.9236 0.0000 0.0000 34369.2880 -148741.0804 300.1555 -183110.3684 -148640.2205 300.5181 164.2172 197.2229 559345.4795 -8.8558 -8.9765 PRESSURE: 4352000 -57.3982 -13.2051 -85.8426 -13.2056 85.0829 9.9566 -85.8433 9.95636 104.662 GPRESSURE: 4352000 15.6241 -39.4976 -120.685 46.9359 77.4081 83.4785 -50.7571 -14.4295 137.537 PRESSAVG: 4352000 -70.882 5.84145 -19.8637 5.84141 -9.09949 31.6455 -19.8638 31.6454 69.2849 GPRESSAVG: 4352000 -70.983 4.97249 -20.121 5.97273 -9.35405 31.656 -18.8551 33.4445 69.2253 TIMING: 4352000 CPU: 13077.7, 0.00295903/step Wall: 13077.7, 0.00295903/step, 0.532625 hours remaining, 212.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4352000 721.3200 2072.6617 1955.2842 101.6464 -205953.1333 17857.4378 0.0000 0.0000 34456.5105 -148788.2728 300.9173 -183244.7833 -148688.5335 300.0448 44.1155 76.8564 558981.8762 -3.5655 -3.7039 PRESSURE: 4352200 43.2691 75.8491 -46.6325 75.849 49.077 -7.92147 -46.6325 -7.91985 -129.105 GPRESSURE: 4352200 82.986 132.395 75.7756 6.66246 57.4103 -0.721204 -84.3511 -27.572 -83.4936 PRESSAVG: 4352200 -57.7477 -10.7468 -28.1144 -10.7468 43.4794 -5.3206 -28.1144 -5.32066 70.8524 GPRESSAVG: 4352200 -57.9316 -10.9562 -27.338 -10.4626 43.5211 -5.64364 -28.354 -6.32245 71.3519 TIMING: 4352200 CPU: 13078.3, 0.00297788/step Wall: 13078.3, 0.00297788/step, 0.535853 hours remaining, 212.187500 MB of memory in use. ENERGY: 4352200 737.9915 2069.4374 1934.6081 108.8008 -205774.3364 17803.2721 0.0000 0.0000 34334.3155 -148785.9110 299.8501 -183120.2265 -148690.8227 300.2614 -12.2529 18.9676 559828.5966 18.8614 18.9804 LDB: ============= START OF LOAD BALANCING ============== 13081.8 LDB: ============== END OF LOAD BALANCING =============== 13081.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13081.8 LDB: ============= START OF LOAD BALANCING ============== 13082.1 LDB: Largest compute 4773 load 0.027085 is 22.9% of average load 0.118066 LDB: Average compute 0.001729 is 1.5% of average load 0.118066 LDB: TIME 13082.1 LOAD: AVG 0.118066 MAX 0.205905 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.551 MB LDB: TIME 13082.1 LOAD: AVG 0.118066 MAX 0.205905 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.754 MB LDB: TIME 13082.1 LOAD: AVG 0.118066 MAX 0.205905 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.754 MB LDB: ============== END OF LOAD BALANCING =============== 13082.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13082.1 PRESSURE: 4352400 151.653 6.08706 -17.3289 6.08714 156.142 -160.236 -17.3294 -160.235 264.864 GPRESSURE: 4352400 164.466 34.4472 -4.20253 -24.4744 189.798 -159.267 -12.4628 -205.518 300.876 PRESSAVG: 4352400 35.4282 -30.9523 -48.9199 -30.9522 0.529093 56.9875 -48.9201 56.9876 -42.5789 GPRESSAVG: 4352400 35.604 -31.7024 -48.5347 -29.7466 1.11026 58.0897 -49.1252 57.8861 -43.1631 TIMING: 4352400 CPU: 13078.9, 0.00304119/step Wall: 13078.9, 0.00304119/step, 0.547076 hours remaining, 207.941406 MB of memory in use. ENERGY: 4352400 741.4405 2080.1018 1961.3003 112.0362 -206164.1208 18002.2735 0.0000 0.0000 34429.0677 -148837.9008 300.6776 -183266.9685 -148737.6473 299.5717 190.8864 218.3801 558516.0061 -2.2072 -2.1496 PRESSURE: 4352600 17.0104 -269.437 4.84463 -269.441 -56.7961 -2.84048 4.84445 -2.84086 -59.6136 GPRESSURE: 4352600 64.4819 -277.513 26.0953 -253.643 1.07872 -42.8358 1.15948 63.6496 -56.5473 PRESSAVG: 4352600 28.6382 -90.1273 -33.2419 -90.1273 -46.9653 -3.72778 -33.2419 -3.72783 -26.5187 GPRESSAVG: 4352600 28.5012 -86.1889 -33.9252 -91.7252 -47.0448 -5.11184 -31.6106 -3.80332 -25.7696 TIMING: 4352600 CPU: 13079.5, 0.00295888/step Wall: 13079.5, 0.00295888/step, 0.532105 hours remaining, 207.941406 MB of memory in use. ENERGY: 4352600 686.0547 2050.2473 1922.9793 101.0775 -205648.9290 17573.7709 0.0000 0.0000 34376.9866 -148937.8128 300.2228 -183314.7994 -148837.9565 300.3342 -33.1331 3.0045 558267.9916 -14.9486 -14.7711 PRESSURE: 4352800 98.4722 -46.8303 -67.2463 -46.8311 31.6036 -3.5039 -67.2477 -3.50494 20.7032 GPRESSURE: 4352800 202.643 -90.4335 36.582 -27.9216 27.4282 21.122 -92.1275 51.2577 10.2504 PRESSAVG: 4352800 28.6098 -21.9469 1.49715 -21.9469 6.4737 -54.7958 1.49718 -54.7958 -86.0231 GPRESSAVG: 4352800 29.2655 -25.4132 2.37922 -20.4065 5.96776 -55.3608 0.346884 -53.5761 -86.4587 TIMING: 4352800 CPU: 13080.1, 0.00294504/step Wall: 13080.1, 0.00294504/step, 0.529453 hours remaining, 207.941406 MB of memory in use. ENERGY: 4352800 752.8545 2033.8343 1962.4544 119.5179 -206102.0677 17925.4617 0.0000 0.0000 34393.7372 -148914.2077 300.3691 -183307.9449 -148825.1276 300.2998 50.2596 80.1072 557961.4495 -16.9798 -17.0751 PRESSURE: 4353000 -23.0123 23.8847 -135.889 23.8844 -22.2837 -23.9619 -135.889 -23.9621 -82.1682 GPRESSURE: 4353000 -56.9223 -20.0327 -18.411 38.3646 42.0361 43.7201 -206.742 -25.0496 -23.7039 PRESSAVG: 4353000 55.2852 -0.810641 -20.6794 -0.810667 -11.7657 46.2686 -20.6793 46.2686 -33.4728 GPRESSAVG: 4353000 53.3344 1.30697 -20.1201 -3.55651 -10.5159 46.649 -21.308 43.9008 -32.1002 TIMING: 4353000 CPU: 13080.7, 0.00296199/step Wall: 13080.7, 0.00296199/step, 0.532335 hours remaining, 207.941406 MB of memory in use. ENERGY: 4353000 748.5142 2079.5478 1965.2380 121.3077 -205610.3203 17496.3105 0.0000 0.0000 34263.5885 -148935.8136 299.2324 -183199.4022 -148845.3813 300.2162 -42.4881 -12.8634 556885.8489 3.3489 3.5727 PRESSURE: 4353200 48.7104 36.9043 -32.322 36.903 65.036 86.8272 -32.3207 86.8268 338.323 GPRESSURE: 4353200 103.566 47.0887 -105.611 4.37138 126.975 59.2292 13.6308 68.0362 320.001 PRESSAVG: 4353200 16.5203 -38.0961 -19.9404 -38.0961 -20.1841 71.594 -19.9405 71.594 18.9122 GPRESSAVG: 4353200 18.3402 -38.1789 -24.1456 -36.7411 -21.0635 73.6414 -19.7095 70.256 18.0008 TIMING: 4353200 CPU: 13081.3, 0.00295387/step Wall: 13081.3, 0.00295387/step, 0.530711 hours remaining, 207.941406 MB of memory in use. ENERGY: 4353200 740.0923 2090.8446 1937.7668 123.4984 -206254.7394 17844.4488 0.0000 0.0000 34541.8956 -148976.1929 301.6630 -183518.0885 -148880.7491 300.5624 150.6897 183.5140 554508.4790 5.0828 5.0925 PRESSURE: 4353400 62.4176 -22.952 109.624 -22.9507 -89.0104 -156.712 109.623 -156.712 380.248 GPRESSURE: 4353400 94.5738 -15.5507 111.444 -39.1867 -52.5466 -163.859 103.332 -61.0924 412.396 PRESSAVG: 4353400 24.8414 41.0834 -26.0892 41.0835 -73.4645 -34.4615 -26.0893 -34.4614 62.1846 GPRESSAVG: 4353400 24.7434 39.4055 -25.3099 40.2583 -73.2538 -35.3589 -25.4043 -32.3087 61.6677 TIMING: 4353400 CPU: 13081.9, 0.0029705/step Wall: 13081.9, 0.0029705/step, 0.533534 hours remaining, 207.941406 MB of memory in use. ENERGY: 4353400 751.3565 2047.4633 1940.1996 117.9483 -206537.3902 18017.6776 0.0000 0.0000 34504.0622 -149158.6827 301.3326 -183662.7448 -149061.9913 299.8858 117.8852 151.4744 555199.3735 4.5205 4.3858 PRESSURE: 4353600 -95.6799 -11.9462 -11.684 -11.9455 61.5194 104.405 -11.6845 104.406 -393.316 GPRESSURE: 4353600 -82.5521 -7.40942 7.19498 20.5418 106.187 154.406 -71.0083 118.152 -358.867 PRESSAVG: 4353600 -39.3542 1.44237 44.9231 1.44238 38.519 0.841954 44.923 0.841958 -3.10384 GPRESSAVG: 4353600 -40.0018 3.62281 48.0619 0.869008 39.2744 1.99479 42.4646 -0.932431 -2.74111 TIMING: 4353600 CPU: 13082.5, 0.00295728/step Wall: 13082.5, 0.00295728/step, 0.530996 hours remaining, 207.941406 MB of memory in use. ENERGY: 4353600 729.9244 2042.0113 1962.7659 119.0951 -205881.2435 17556.2868 0.0000 0.0000 34269.2093 -149201.9508 299.2815 -183471.1601 -149101.3112 299.5912 -142.4923 -111.7441 557786.0593 -1.3130 -1.1562 PRESSURE: 4353800 -35.4749 -119.225 111.382 -119.226 -310.961 -251.185 111.382 -251.188 4.7629 GPRESSURE: 4353800 16.5575 -120.044 108.757 -90.4097 -264.559 -274.418 147.177 -237.897 1.12647 PRESSAVG: 4353800 3.11925 -80.2349 33.8241 -80.2349 55.7194 4.76389 33.8242 4.76388 -68.269 GPRESSAVG: 4353800 3.26518 -79.7399 31.3937 -81.753 54.9177 3.59774 35.9693 5.36507 -67.7922 TIMING: 4353800 CPU: 13083.1, 0.00299853/step Wall: 13083.1, 0.00299853/step, 0.538237 hours remaining, 207.941406 MB of memory in use. ENERGY: 4353800 734.1400 2120.0947 1939.5018 123.4212 -205834.4064 17481.6971 0.0000 0.0000 34104.5577 -149330.9939 297.8436 -183435.5516 -149231.6169 298.9353 -113.8912 -82.2918 557349.7289 -3.1435 -3.2031 PRESSURE: 4354000 46.6859 116.507 93.6239 116.506 272.282 49.5701 93.6243 49.5699 -75.5855 GPRESSURE: 4354000 103.202 142.681 39.9003 107.925 293.175 9.29744 67.4134 57.7285 -50.8124 PRESSAVG: 4354000 -11.3699 -8.49674 9.31006 -8.49674 1.7376 -31.0629 9.31009 -31.0629 8.23505 GPRESSAVG: 4354000 -11.8404 -10.1664 9.34508 -6.94965 2.27136 -30.3557 10.6565 -32.5701 8.00039 TIMING: 4354000 CPU: 13083.7, 0.00296746/step Wall: 13083.7, 0.00296746/step, 0.532494 hours remaining, 207.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4354000 768.5010 2062.1634 1934.2100 113.4061 -206383.1096 18067.6846 0.0000 0.0000 34175.8931 -149261.2515 298.4666 -183437.1446 -149162.7347 299.0675 81.1276 115.1882 557601.2225 -0.4658 -0.5229 PRESSURE: 4354200 -23.6217 190.447 -22.5049 190.446 -94.3765 44.7924 -22.5044 44.7932 -190.085 GPRESSURE: 4354200 -3.2185 186.135 -50.1563 169.165 -29.001 72.7651 -61.3696 71.5947 -176.834 PRESSAVG: 4354200 -29.4363 54.9207 19.7372 54.9207 -51.798 43.8594 19.7372 43.8593 29.9895 GPRESSAVG: 4354200 -27.7392 55.5017 20.5098 55.5817 -52.0795 42.1192 18.1646 45.5331 29.0346 TIMING: 4354200 CPU: 13084.3, 0.0029666/step Wall: 13084.3, 0.0029666/step, 0.532175 hours remaining, 207.941406 MB of memory in use. ENERGY: 4354200 699.7827 2084.5234 1921.2289 102.2866 -206084.6513 17753.3930 0.0000 0.0000 34137.9184 -149385.5181 298.1349 -183523.4366 -149291.6502 298.7693 -102.6945 -69.6844 559539.4001 -17.0816 -16.9280 PRESSURE: 4354400 104.239 -46.0069 -49.5878 -46.0067 -152.031 -36.1722 -49.5864 -36.1716 170.109 GPRESSURE: 4354400 146.544 -63.8503 -97.4503 15.9884 -163.991 -32.7736 -23.1148 35.7368 245.848 PRESSAVG: 4354400 21.1983 26.7843 12.5615 26.7843 -33.9902 27.5817 12.5615 27.5816 -52.8734 GPRESSAVG: 4354400 20.7164 26.6847 12.6717 25.8312 -33.7674 26.398 10.8365 27.5544 -52.1845 TIMING: 4354400 CPU: 13084.8, 0.0029543/step Wall: 13084.8, 0.0029543/step, 0.529805 hours remaining, 207.941406 MB of memory in use. ENERGY: 4354400 726.6832 2133.9310 1916.8798 108.8102 -206635.1927 18020.3760 0.0000 0.0000 34396.0497 -149332.4630 300.3893 -183728.5126 -149239.1000 298.5620 40.7723 76.1334 557745.0382 -21.8884 -21.7452 PRESSURE: 4354600 -165.013 -181.685 48.1513 -181.684 18.5029 -3.88948 48.1516 -3.88917 1.38728 GPRESSURE: 4354600 -129.322 -169.547 16.4729 -249.246 76.2871 11.6672 72.831 55.9854 11.9021 PRESSAVG: 4354600 75.7539 -83.1217 -19.2177 -83.1216 -44.6179 -0.650806 -19.2177 -0.650762 31.5762 GPRESSAVG: 4354600 76.4852 -84.4453 -19.945 -82.7659 -45.4896 1.55914 -16.3722 -0.500086 31.8779 TIMING: 4354600 CPU: 13085.4, 0.0029733/step Wall: 13085.4, 0.0029733/step, 0.533046 hours remaining, 207.953125 MB of memory in use. ENERGY: 4354600 743.0629 2111.9877 1981.1705 119.2636 -205960.0709 17559.3291 0.0000 0.0000 34113.2303 -149332.0268 297.9193 -183445.2572 -149227.6167 299.3257 -48.3742 -13.7108 557450.4381 20.9041 20.9578 PRESSURE: 4354800 -164.615 -25.9894 108.486 -25.9873 -226.358 -135.871 108.486 -135.87 -144.805 GPRESSURE: 4354800 -166.352 -30.5791 94.5462 -7.83989 -193.581 -186.351 170.438 -148.011 -75.8106 PRESSAVG: 4354800 -12.0666 -100.004 -5.37395 -100.004 -40.9918 28.9051 -5.37398 28.9052 20.2247 GPRESSAVG: 4354800 -13.2641 -98.7563 -4.54716 -100.328 -39.1074 26.5018 -6.14808 30.5317 19.5836 TIMING: 4354800 CPU: 13086, 0.00297942/step Wall: 13086, 0.00297942/step, 0.533979 hours remaining, 207.953125 MB of memory in use. ENERGY: 4354800 757.6795 2167.8528 1967.1080 120.4045 -206389.6968 17638.3561 0.0000 0.0000 34499.3302 -149238.9658 301.2912 -183738.2960 -149139.7603 299.5190 -178.5928 -145.2478 558634.3676 -10.9446 -10.9293 PRESSURE: 4355000 141.587 -54.375 -70.1114 -54.3757 166.875 -98.189 -70.1115 -98.1899 -114.411 GPRESSURE: 4355000 147.72 44.9216 -33.2724 -95.8869 250.75 -67.5559 -70.3063 -46.0892 -110.856 PRESSAVG: 4355000 5.42069 -68.1385 27.9049 -68.1385 -42.4719 -19.1639 27.9048 -19.164 27.8786 GPRESSAVG: 4355000 4.38599 -67.2867 26.9103 -63.8456 -42.1611 -15.3104 28.892 -21.6432 29.4615 TIMING: 4355000 CPU: 13086.6, 0.00296667/step Wall: 13086.6, 0.00296667/step, 0.531529 hours remaining, 207.953125 MB of memory in use. ENERGY: 4355000 743.1762 2103.9675 1963.5486 124.4275 -206734.6476 18071.5627 0.0000 0.0000 34355.3012 -149372.6639 300.0334 -183727.9651 -149279.8211 299.2068 64.6837 95.8711 557584.6463 -3.0575 -2.7712 PRESSURE: 4355200 -30.5545 70.89 -17.4747 70.8896 -6.47209 56.0754 -17.4738 56.0739 25.6309 GPRESSURE: 4355200 -45.7102 28.7991 -18.8893 98.2291 42.8294 116.215 -20.1031 -29.3651 83.3715 PRESSAVG: 4355200 -25.0397 -26.7549 36.3466 -26.7549 -9.15351 -24.7107 36.3467 -24.7106 11.2012 GPRESSAVG: 4355200 -23.6945 -27.1005 37.4734 -29.041 -9.68056 -28.3191 35.2079 -24.0346 10.1609 TIMING: 4355200 CPU: 13087.2, 0.00295073/step Wall: 13087.2, 0.00295073/step, 0.528509 hours remaining, 207.953125 MB of memory in use. ENERGY: 4355200 702.1741 2026.3653 1922.9627 108.6632 -206167.0474 17895.7058 0.0000 0.0000 34168.5110 -149342.6652 298.4021 -183511.1762 -149241.0102 298.7927 -3.7986 26.8302 558243.1870 -7.6640 -7.7381 PRESSURE: 4355400 269.348 -14.5764 -72.1211 -14.5763 15.8208 26.7424 -72.1197 26.7421 259.821 GPRESSURE: 4355400 261.918 -33.185 -25.8463 -16.7564 76.56 -19.2599 -127.329 47.1101 289.135 PRESSAVG: 4355400 0.166351 -24.5162 -4.33759 -24.5162 -23.1334 -19.865 -4.33759 -19.865 -14.1219 GPRESSAVG: 4355400 0.874334 -23.7746 -4.64024 -25.7765 -24.3308 -18.0866 -5.87871 -20.4275 -13.6443 TIMING: 4355400 CPU: 13087.8, 0.00299361/step Wall: 13087.8, 0.00299361/step, 0.536022 hours remaining, 207.953125 MB of memory in use. ENERGY: 4355400 723.3567 2078.1752 1962.5855 115.8411 -206322.9224 17921.2415 0.0000 0.0000 34202.3668 -149319.3556 298.6978 -183521.7223 -149230.3562 299.0276 181.6633 209.2044 557414.3963 -12.3630 -12.3669 PRESSURE: 4355600 -161.915 -47.9846 -215.982 -47.9859 41.685 -19.7541 -215.982 -19.7538 -382.138 GPRESSURE: 4355600 -142.325 -43.6694 -225.232 -22.2235 37.0341 -38.8873 -110.641 -94.3283 -294.363 PRESSAVG: 4355600 -5.70688 -48.7023 -48.0717 -48.7023 26.2313 -70.8728 -48.0717 -70.8728 -23.4975 GPRESSAVG: 4355600 -5.61409 -49.9612 -50.6319 -46.7924 26.2984 -72.1084 -45.203 -71.0362 -23.3925 TIMING: 4355600 CPU: 13088.4, 0.00296543/step Wall: 13088.4, 0.00296543/step, 0.530813 hours remaining, 207.953125 MB of memory in use. ENERGY: 4355600 806.1745 2070.8318 1937.9017 105.9663 -206237.7386 17834.0573 0.0000 0.0000 34209.9156 -149272.8913 298.7637 -183482.8069 -149171.9637 299.2768 -167.4561 -133.2181 557888.7138 -0.9910 -0.9027 PRESSURE: 4355800 -256.134 15.8598 -29.2986 15.859 223.504 20.8546 -29.3009 20.8536 134.353 GPRESSURE: 4355800 -193.876 18.345 -16.1053 -28.4569 249.027 -9.12734 -26.5162 24.541 133.868 PRESSAVG: 4355800 -10.0331 -32.7475 -12.8516 -32.7475 57.2395 36.6132 -12.8514 36.6131 -20.8439 GPRESSAVG: 4355800 -9.72954 -32.996 -10.6326 -33.0252 58.0403 37.9706 -13.6859 37.5523 -21.5948 TIMING: 4355800 CPU: 13089, 0.0029593/step Wall: 13089, 0.0029593/step, 0.529551 hours remaining, 207.953125 MB of memory in use. ENERGY: 4355800 767.1607 2098.8562 1951.0293 110.7736 -206210.0939 17755.5684 0.0000 0.0000 34263.3406 -149263.3650 299.2303 -183526.7057 -149163.4098 298.9782 33.9074 63.0063 556511.5914 8.7875 8.9053 PRESSURE: 4356000 -136.33 95.7015 63.9152 95.7015 173.969 -19.908 63.916 -19.9081 -175.462 GPRESSURE: 4356000 -55.694 122.505 88.6503 106.861 122.387 18.8458 160.685 33.7253 -105.469 PRESSAVG: 4356000 12.3681 -12.2732 -14.5228 -12.2731 -25.984 21.3772 -14.5227 21.3771 29.9674 GPRESSAVG: 4356000 11.7279 -14.937 -15.5815 -10.5293 -25.3226 22.7668 -15.4383 18.5294 30.3752 TIMING: 4356000 CPU: 13089.6, 0.00296655/step Wall: 13089.6, 0.00296655/step, 0.530684 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: 4356000 743.2522 2090.8837 1930.5182 105.1366 -206029.5468 17662.1459 0.0000 0.0000 34329.1774 -149168.4328 299.8052 -183497.6103 -149070.7076 299.3084 -45.9411 -12.9255 557039.9205 5.4505 5.5935 PRESSURE: 4356200 175.271 149.828 -188.811 149.828 -156.137 -11.2532 -188.81 -11.2543 73.1278 GPRESSURE: 4356200 233.44 107.859 -103.312 204.6 -121.277 -1.61374 -178.148 -13.0764 90.6684 PRESSAVG: 4356200 -15.7681 25.7035 -82.6936 25.7035 -11.5779 24.4983 -82.6935 24.4983 35.5354 GPRESSAVG: 4356200 -15.706 26.4213 -81.1789 23.3103 -11.2555 24.7684 -82.2419 25.4479 35.1561 TIMING: 4356200 CPU: 13090.2, 0.0029582/step Wall: 13090.2, 0.0029582/step, 0.529025 hours remaining, 207.953125 MB of memory in use. ENERGY: 4356200 754.2526 2091.8347 1939.1959 123.7914 -206321.3728 17858.1511 0.0000 0.0000 34362.7240 -149191.4231 300.0982 -183554.1472 -149093.7722 299.8670 30.7540 67.6108 555930.5618 2.7298 2.7315 LDB: ============= START OF LOAD BALANCING ============== 13093.7 LDB: ============== END OF LOAD BALANCING =============== 13093.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13093.7 LDB: ============= START OF LOAD BALANCING ============== 13094 LDB: Largest compute 4773 load 0.026275 is 22.2% of average load 0.118231 LDB: Average compute 0.001721 is 1.5% of average load 0.118231 LDB: TIME 13094 LOAD: AVG 0.118231 MAX 0.208715 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.234 MB LDB: TIME 13094 LOAD: AVG 0.118231 MAX 0.208715 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.438 MB LDB: TIME 13094 LOAD: AVG 0.118231 MAX 0.208715 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.438 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13094 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13094 PRESSURE: 4356400 -106.839 -0.529235 23.7635 -0.528767 41.2899 87.1564 23.764 87.1569 -60.5736 GPRESSURE: 4356400 -75.0839 20.8199 1.02957 0.0153641 97.8988 -27.4899 43.8581 111.932 -44.4311 PRESSAVG: 4356400 -30.9062 15.8175 9.85503 15.8175 -32.3078 27.274 9.85495 27.2739 22.1105 GPRESSAVG: 4356400 -30.8724 17.0892 7.29652 15.9388 -32.7537 26.3579 10.2312 28.8612 22.353 TIMING: 4356400 CPU: 13090.8, 0.00303955/step Wall: 13090.8, 0.00303955/step, 0.543405 hours remaining, 209.292969 MB of memory in use. ENERGY: 4356400 765.8662 2015.0768 1954.3467 132.2726 -206216.4514 17770.2020 0.0000 0.0000 34413.6689 -149165.0181 300.5431 -183578.6870 -149062.3213 299.2028 -42.0409 -7.2054 556203.8888 -13.7011 -13.7577 PRESSURE: 4356600 -152.656 172.828 -149.893 172.829 -17.2596 -40.694 -149.893 -40.6949 1.42787 GPRESSURE: 4356600 -151.161 81.1628 -90.5451 174.824 37.4883 -25.5018 -180.795 28.4878 49.7279 PRESSAVG: 4356600 -40.2676 38.1928 -54.7869 38.1927 -12.6688 -5.66606 -54.7868 -5.66591 76.4711 GPRESSAVG: 4356600 -39.7365 37.8279 -53.4407 37.6666 -12.2807 -5.43322 -55.33 -5.06574 75.8931 TIMING: 4356600 CPU: 13091.4, 0.00296648/step Wall: 13091.4, 0.00296648/step, 0.530176 hours remaining, 209.496094 MB of memory in use. ENERGY: 4356600 749.5779 2208.7402 1937.3770 108.6806 -206108.1000 17599.7200 0.0000 0.0000 34131.3616 -149372.6426 298.0777 -183504.0043 -149274.5170 300.0339 -56.1626 -21.3150 555423.8781 7.8449 7.9586 PRESSURE: 4356800 -116.959 148.182 -5.55389 148.183 -327.45 -13.3099 -5.55484 -13.3104 -35.7904 GPRESSURE: 4356800 -64.8174 182.224 16.4102 160.06 -305.656 25.2783 -106.732 14.7665 1.53017 PRESSAVG: 4356800 -65.7722 -5.88197 5.59457 -5.8819 -21.8379 -2.71943 5.59449 -2.71955 33.8359 GPRESSAVG: 4356800 -66.4491 -5.10703 6.2676 -5.6007 -20.7271 -1.7236 5.5114 -5.02426 34.0067 TIMING: 4356800 CPU: 13092, 0.00295649/step Wall: 13092, 0.00295649/step, 0.528225 hours remaining, 209.496094 MB of memory in use. ENERGY: 4356800 761.3949 2065.7381 1923.1735 113.6409 -205998.9546 17581.4937 0.0000 0.0000 34324.3020 -149229.2115 299.7627 -183553.5135 -149125.6683 299.2776 -160.0663 -122.9809 557568.5248 -17.9247 -17.7232 PRESSURE: 4357000 83.4746 -15.0061 161.258 -15.0063 172.987 -80.6939 161.258 -80.6958 45.1719 GPRESSURE: 4357000 146.872 4.4625 183.707 -69.3132 151.531 -100.762 74.7941 -36.9061 98.668 PRESSAVG: 4357000 -5.63298 19.6182 -27.4148 19.6181 -45.7554 31.4895 -27.4148 31.4895 81.9413 GPRESSAVG: 4357000 -5.33726 19.0883 -27.3782 21.2459 -46.0515 30.7778 -25.9701 33.4356 81.9094 TIMING: 4357000 CPU: 13092.6, 0.00298693/step Wall: 13092.6, 0.00298693/step, 0.533499 hours remaining, 209.496094 MB of memory in use. ENERGY: 4357000 763.5290 2089.5117 1932.8604 112.6044 -206301.3525 17902.1454 0.0000 0.0000 34119.5558 -149381.1457 297.9746 -183500.7015 -149290.2078 299.0973 100.5444 132.3570 556087.7245 10.1843 10.1736 PRESSURE: 4357200 -232.668 -21.3039 -82.5033 -21.3041 -221.302 25.8869 -82.5044 25.8858 111.459 GPRESSURE: 4357200 -207.818 -84.1973 -159.068 -25.1975 -164.957 96.972 -78.4559 54.8705 129.631 PRESSAVG: 4357200 -16.0459 -23.1061 -1.85881 -23.1061 18.2167 13.5208 -1.85886 13.5209 11.9392 GPRESSAVG: 4357200 -16.8218 -22.1628 -1.9949 -25.6975 18.9389 13.7217 -2.82803 13.0873 12.2789 TIMING: 4357200 CPU: 13093.2, 0.00295559/step Wall: 13093.2, 0.00295559/step, 0.527738 hours remaining, 209.496094 MB of memory in use. ENERGY: 4357200 763.7614 2011.2837 1923.4058 100.3504 -206187.4200 17676.8137 0.0000 0.0000 34198.1262 -149513.6787 298.6607 -183711.8050 -149416.8751 298.8522 -114.1701 -81.0479 556261.8115 4.7033 4.7986 PRESSURE: 4357400 -10.6717 -21.787 24.8908 -21.7877 -298.681 205.461 24.891 205.461 -202.055 GPRESSURE: 4357400 -24.0781 -100.577 8.17389 43.5413 -256.531 190.384 111.573 98.4763 -133.039 PRESSAVG: 4357400 -24.6921 2.48465 -8.02896 2.4847 -85.1533 -2.25143 -8.02904 -2.25137 105.315 GPRESSAVG: 4357400 -24.2634 2.16029 -9.20246 2.95816 -85.8788 -2.80704 -8.74614 -1.08264 105.627 TIMING: 4357400 CPU: 13093.8, 0.00295957/step Wall: 13093.8, 0.00295957/step, 0.528284 hours remaining, 209.496094 MB of memory in use. ENERGY: 4357400 742.0274 2043.1302 1934.7874 117.1555 -206144.2364 17677.6418 0.0000 0.0000 34268.4713 -149361.0227 299.2751 -183629.4940 -149270.2613 299.0873 -170.4692 -137.8827 557857.3662 -1.5102 -1.5051 PRESSURE: 4357600 -76.0603 -77.5393 173.601 -77.5389 -80.7828 156.221 173.601 156.222 -189.568 GPRESSURE: 4357600 -20.6112 -16.7756 200.533 -49.9925 -43.526 148.411 94.048 287.202 -189.131 PRESSAVG: 4357600 22.7134 1.15014 44.4853 1.15013 -26.4348 -13.5034 44.4853 -13.5035 9.11575 GPRESSAVG: 4357600 23.2494 0.496565 45.0949 2.64704 -27.0099 -14.2168 44.9477 -14.2535 9.86097 TIMING: 4357600 CPU: 13094.4, 0.00296291/step Wall: 13094.4, 0.00296291/step, 0.528715 hours remaining, 209.496094 MB of memory in use. ENERGY: 4357600 776.9413 2057.9961 1931.4421 121.4475 -206302.6717 17853.0846 0.0000 0.0000 34211.9763 -149349.7838 298.7817 -183561.7602 -149256.2071 298.8456 -115.4705 -84.4227 557839.2195 1.7981 2.0335 PRESSURE: 4357800 205.483 89.6019 -52.9335 89.6016 195.38 -39.819 -52.9343 -39.8195 -83.7715 GPRESSURE: 4357800 311.034 137.621 -55.1661 0.763186 151.274 -29.4648 -43.0588 -81.4725 -56.9943 PRESSAVG: 4357800 91.9164 3.15602 29.6812 3.15586 -120.396 7.97362 29.6812 7.97358 -6.73675 GPRESSAVG: 4357800 91.1387 2.33789 27.979 3.31568 -119.025 7.26536 31.7386 7.64986 -7.56467 TIMING: 4357800 CPU: 13094.9, 0.0029495/step Wall: 13094.9, 0.0029495/step, 0.526158 hours remaining, 209.554688 MB of memory in use. ENERGY: 4357800 737.7491 2048.2278 1936.9609 119.8224 -206535.9986 18135.2608 0.0000 0.0000 34239.9346 -149318.0429 299.0259 -183557.9776 -149228.5245 298.6007 105.6974 135.1047 558675.6900 -11.7387 -11.8169 PRESSURE: 4358000 176.196 15.3659 -31.0538 15.3658 158.339 41.5814 -31.0544 41.5828 -89.9482 GPRESSURE: 4358000 213.719 2.52074 2.38583 36.284 168.144 27.1165 47.702 -3.90322 -27.272 PRESSAVG: 4358000 -31.4735 49.5021 21.6569 49.5021 -16.2879 -13.3319 21.6569 -13.3319 53.5407 GPRESSAVG: 4358000 -31.4409 50.7209 22.4012 46.9487 -16.275 -10.9881 21.1521 -14.0176 53.9462 TIMING: 4358000 CPU: 13095.5, 0.00295986/step Wall: 13095.5, 0.00295986/step, 0.527841 hours remaining, 209.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4358000 737.8418 2080.1970 1913.7412 117.4601 -206365.5841 17961.5200 0.0000 0.0000 34270.7143 -149284.1096 299.2947 -183554.8239 -149197.9426 298.3277 81.5289 118.1971 557628.3709 1.9264 2.0768 PRESSURE: 4358200 -123.365 -19.3963 115.684 -19.3954 88.2242 -208.832 115.684 -208.832 28.825 GPRESSURE: 4358200 -83.3579 -21.1703 89.5123 35.2162 104.802 -100.577 145.235 -233.671 65.6251 PRESSAVG: 4358200 10.0194 26.4105 -12.3246 26.4106 38.5819 -19.846 -12.3246 -19.846 -38.6284 GPRESSAVG: 4358200 11.2316 26.9086 -11.5398 26.1426 37.0381 -19.4534 -13.4681 -18.1484 -38.0964 TIMING: 4358200 CPU: 13096.1, 0.0029523/step Wall: 13096.1, 0.0029523/step, 0.526329 hours remaining, 209.554688 MB of memory in use. ENERGY: 4358200 776.3062 2039.8337 1932.1719 113.2225 -206356.3796 17890.7594 0.0000 0.0000 34254.4665 -149349.6194 299.1528 -183604.0859 -149253.9304 298.6155 -2.1053 29.0229 556907.7177 3.3243 3.3911 PRESSURE: 4358400 46.0136 100.2 81.9157 100.2 -115.092 -51.8368 81.9161 -51.8373 -218.444 GPRESSURE: 4358400 100.415 81.5313 172.548 94.0714 -62.0218 -30.0894 69.7944 -31.0792 -218.618 PRESSAVG: 4358400 12.8029 15.4254 -41.3787 15.4256 50.0968 30.4341 -41.3787 30.4341 -66.2131 GPRESSAVG: 4358400 12.174 14.7794 -40.27 17.3732 51.5952 27.7568 -39.6355 29.0926 -66.4035 TIMING: 4358400 CPU: 13096.7, 0.00295029/step Wall: 13096.7, 0.00295029/step, 0.525807 hours remaining, 209.554688 MB of memory in use. ENERGY: 4358400 773.3319 2036.9617 1924.3738 96.4932 -205994.6708 17718.4394 0.0000 0.0000 34083.2870 -149361.7837 297.6578 -183445.0707 -149273.6627 298.4485 -95.8409 -60.0749 557551.7635 -1.1045 -0.8781 PRESSURE: 4358600 -41.9004 108.527 -23.2569 108.527 154.401 -152.496 -23.2566 -152.496 134.07 GPRESSURE: 4358600 -34.7641 43.6537 -26.2529 137.384 192.904 -123.591 35.0553 -153.02 172.497 PRESSAVG: 4358600 -1.00312 -21.1871 -42.2407 -21.187 61.4717 -35.4617 -42.2407 -35.4616 -64.7164 GPRESSAVG: 4358600 0.457613 -21.5646 -42.2891 -20.8098 60.6537 -34.1229 -44.8162 -35.1897 -65.3714 TIMING: 4358600 CPU: 13097.3, 0.00295977/step Wall: 13097.3, 0.00295977/step, 0.527333 hours remaining, 209.554688 MB of memory in use. ENERGY: 4358600 733.6642 2047.1205 1929.9163 106.1921 -206163.2310 17878.2235 0.0000 0.0000 34139.7780 -149328.3364 298.1512 -183468.1144 -149230.7995 298.7666 82.1901 110.2121 556526.8398 -1.4159 -1.4200 PRESSURE: 4358800 -111.904 -39.8142 -9.84481 -39.8131 -53.8497 -29.8628 -9.84416 -29.8632 -83.8369 GPRESSURE: 4358800 -115.177 -39.361 -122.62 26.3601 -11.5311 -43.8583 59.2931 63.7101 -26.7618 PRESSAVG: 4358800 27.5923 66.0266 41.4316 66.0266 -30.3952 17.0385 41.4316 17.0384 28.8962 GPRESSAVG: 4358800 27.2686 65.6647 41.7412 66.6764 -30.1922 17.4539 43.4847 14.4738 29.2579 TIMING: 4358800 CPU: 13097.9, 0.0029831/step Wall: 13097.9, 0.0029831/step, 0.531323 hours remaining, 209.554688 MB of memory in use. ENERGY: 4358800 726.3234 2040.1555 1941.8226 114.5234 -206095.6567 17679.4930 0.0000 0.0000 34344.4848 -149248.8539 299.9389 -183593.3387 -149145.0170 299.2502 -83.1970 -51.1567 558060.9393 8.6978 8.7781 PRESSURE: 4359000 -167.408 -120.995 95.9735 -120.994 -408.213 56.8873 95.9744 56.8866 -321.148 GPRESSURE: 4359000 -177.08 -120.115 119.148 -86.02 -342.334 18.6015 54.864 81.6239 -280.713 PRESSAVG: 4359000 -2.31639 -74.5423 -61.104 -74.5423 -22.6074 -14.4112 -61.104 -14.4112 -28.7294 GPRESSAVG: 4359000 -2.74033 -73.6459 -61.5683 -75.8665 -22.8321 -14.1772 -62.4052 -13.348 -27.9012 TIMING: 4359000 CPU: 13098.5, 0.00295735/step Wall: 13098.5, 0.00295735/step, 0.526573 hours remaining, 209.554688 MB of memory in use. ENERGY: 4359000 766.6105 2111.4557 1951.8089 117.0027 -205927.2900 17508.6676 0.0000 0.0000 34202.5484 -149269.1962 298.6994 -183471.7446 -149180.8375 299.4592 -298.9231 -266.7093 558202.2538 -17.8844 -17.8245 PRESSURE: 4359200 -154.991 -77.5981 -164.946 -77.599 68.2026 158.619 -164.946 158.619 96.2903 GPRESSURE: 4359200 -78.6184 -110.768 -156.129 -137.326 81.8703 177.896 -171.922 135.167 98.3946 PRESSAVG: 4359200 13.3773 -26.1528 -10.9845 -26.1528 -53.2817 -13.6041 -10.9845 -13.6041 64.9661 GPRESSAVG: 4359200 15.0242 -26.6314 -10.6689 -25.5098 -53.1588 -12.6185 -11.8407 -11.7109 63.7283 TIMING: 4359200 CPU: 13099.1, 0.00298124/step Wall: 13099.1, 0.00298124/step, 0.530661 hours remaining, 209.554688 MB of memory in use. ENERGY: 4359200 744.9482 2088.0313 1952.8422 111.8813 -206314.8615 17815.9411 0.0000 0.0000 34204.3653 -149396.8522 298.7152 -183601.2174 -149295.2833 299.2464 3.1674 33.8822 555913.2831 8.3539 8.5312 PRESSURE: 4359400 -83.6979 -160.071 61.7974 -160.072 -105.362 8.97654 61.7994 8.97674 -165.14 GPRESSURE: 4359400 -70.9401 -156.234 -41.4119 -153.973 -118.317 58.8765 59.9515 28.5854 -51.5803 PRESSAVG: 4359400 -12.4035 -19.2844 -9.74267 -19.2844 -6.67387 1.12773 -9.74271 1.12768 47.6679 GPRESSAVG: 4359400 -12.3244 -19.9491 -11.0556 -18.3895 -8.10802 2.15186 -7.67802 -0.585154 48.9821 TIMING: 4359400 CPU: 13099.7, 0.00297123/step Wall: 13099.7, 0.00297123/step, 0.528713 hours remaining, 209.554688 MB of memory in use. ENERGY: 4359400 778.8011 2112.3841 1942.6641 131.9790 -206393.8092 17757.6357 0.0000 0.0000 34338.0844 -149332.2608 299.8830 -183670.3452 -149239.5625 299.1763 -118.0665 -80.2791 557420.1933 9.5302 9.5166 PRESSURE: 4359600 -104.856 -35.536 6.40486 -35.5358 -77.6069 4.03892 6.40509 4.0406 16.7878 GPRESSURE: 4359600 -68.6571 32.6657 20.7346 -74.6921 -20.7163 -56.4485 4.08849 69.4631 16.6266 PRESSAVG: 4359600 -46.0947 -5.95662 -2.6396 -5.95647 20.5239 -73.0537 -2.63948 -73.0537 -0.603047 GPRESSAVG: 4359600 -46.2274 -4.76686 -3.2846 -7.43503 21.3175 -75.4217 -3.7226 -72.7295 -1.0482 TIMING: 4359600 CPU: 13100.3, 0.00296535/step Wall: 13100.3, 0.00296535/step, 0.527503 hours remaining, 209.554688 MB of memory in use. ENERGY: 4359600 727.5043 2035.1555 1944.1929 113.8743 -206268.5924 17836.5689 0.0000 0.0000 34201.2194 -149410.0770 298.6878 -183611.2964 -149318.7524 299.0247 -55.2250 -24.2490 557021.0003 -8.7246 -8.6527 PRESSURE: 4359800 -218.561 127.265 -69.5196 127.265 74.604 -10.9324 -69.5201 -10.932 99.4885 GPRESSURE: 4359800 -207.773 99.4406 -54.6371 190.384 95.277 -16.1631 -79.8504 -96.5492 169.491 PRESSAVG: 4359800 -3.05183 34.579 -57.866 34.579 29.3003 19.5946 -57.8661 19.5947 -24.4256 GPRESSAVG: 4359800 -2.7177 34.0675 -56.9643 36.0186 29.2756 20.0797 -56.463 19.6476 -25.0736 TIMING: 4359800 CPU: 13100.9, 0.00296643/step Wall: 13100.9, 0.00296643/step, 0.52753 hours remaining, 209.554688 MB of memory in use. ENERGY: 4359800 802.4985 2026.6944 1928.1380 117.3760 -206249.4489 17895.6049 0.0000 0.0000 33999.3844 -149479.7526 296.9251 -183479.1370 -149383.5530 298.6666 -14.8228 18.9983 558102.7832 0.6076 0.4948 PRESSURE: 4360000 -290.46 -10.2673 -48.2685 -10.268 -315.565 14.5143 -48.2678 14.5151 -58.2881 GPRESSURE: 4360000 -236.983 16.273 -155.003 -75.1677 -267.214 38.9769 -39.7003 51.5793 -68.1259 PRESSAVG: 4360000 -23.4793 49.3866 -7.9424 49.3866 8.93179 29.8468 -7.9425 29.8468 25.4148 GPRESSAVG: 4360000 -23.9163 49.7275 -6.77443 48.0023 9.05643 29.7374 -9.41614 30.0345 25.0861 TIMING: 4360000 CPU: 13101.5, 0.00298733/step Wall: 13101.5, 0.00298733/step, 0.531081 hours remaining, 209.621094 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: 4360000 741.7065 2068.0559 1944.4821 121.3148 -206452.4821 17766.8608 0.0000 0.0000 34156.3287 -149653.7332 298.2957 -183810.0619 -149552.2681 298.6505 -221.4378 -190.7741 558385.0084 3.6224 3.4087 PRESSURE: 4360200 -172.916 -20.0674 15.96 -20.0682 -3.52357 169.592 15.9606 169.592 -275.998 GPRESSURE: 4360200 -190.937 12.3449 59.816 -107.291 81.6959 221.047 61.6891 127.16 -248.096 PRESSAVG: 4360200 -45.2527 -18.0957 54.0819 -18.0958 -14.3128 32.2125 54.082 32.2126 58.6988 GPRESSAVG: 4360200 -45.684 -18.9402 53.2651 -18.3672 -14.9649 32.1366 53.2787 32.6014 58.9938 TIMING: 4360200 CPU: 13102.1, 0.00295499/step Wall: 13102.1, 0.00295499/step, 0.525167 hours remaining, 209.621094 MB of memory in use. ENERGY: 4360200 722.8330 2111.3632 1964.0002 124.6426 -206177.4298 17717.2825 0.0000 0.0000 34134.2486 -149403.0598 298.1029 -183537.3083 -149302.3605 298.2101 -150.8127 -119.1124 557599.4483 -0.2889 -0.5517 LDB: ============= START OF LOAD BALANCING ============== 13105.6 LDB: ============== END OF LOAD BALANCING =============== 13105.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13105.6 LDB: ============= START OF LOAD BALANCING ============== 13105.9 LDB: Largest compute 4773 load 0.027144 is 23.0% of average load 0.118158 LDB: Average compute 0.001735 is 1.5% of average load 0.118158 LDB: TIME 13105.9 LOAD: AVG 0.118158 MAX 0.206747 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.93 MB LDB: TIME 13105.9 LOAD: AVG 0.118158 MAX 0.206747 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.055 MB LDB: TIME 13105.9 LOAD: AVG 0.118158 MAX 0.206747 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.055 MB LDB: ============== END OF LOAD BALANCING =============== 13105.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13105.9 PRESSURE: 4360400 -308.195 34.4818 103.217 34.48 -87.2664 87.8227 103.218 87.8206 -270.127 GPRESSURE: 4360400 -301.256 113.42 130.877 94.5889 -45.6382 107.543 47.4098 106.427 -219.068 PRESSAVG: 4360400 -37.7156 6.77083 -15.8335 6.77081 19.12 22.0254 -15.8334 22.0254 19.1516 GPRESSAVG: 4360400 -38.8112 7.29687 -14.8796 6.95779 20.0784 23.0335 -15.4344 22.5906 19.0366 TIMING: 4360400 CPU: 13102.7, 0.00301634/step Wall: 13102.7, 0.00301634/step, 0.535904 hours remaining, 209.042969 MB of memory in use. ENERGY: 4360400 781.3783 2060.3415 1963.3557 120.8895 -206132.5547 17623.7372 0.0000 0.0000 34155.6680 -149427.1845 298.2899 -183582.8526 -149332.2383 299.2160 -221.8628 -188.6541 558741.7659 0.1853 0.1013 PRESSURE: 4360600 -16.1118 62.0409 9.93382 62.0425 -222.509 -29.1192 9.93476 -29.1186 160.111 GPRESSURE: 4360600 -1.29157 -16.2621 -11.5583 35.0755 -125.893 -14.7202 39.8521 -81.6595 155.801 PRESSAVG: 4360600 -66.6838 -50.3615 4.3215 -50.3614 2.86071 11.9985 4.32154 11.9985 26.242 GPRESSAVG: 4360600 -66.4398 -48.4428 1.80962 -50.3955 2.77624 12.2066 4.65274 9.26814 25.9033 TIMING: 4360600 CPU: 13103.3, 0.00296564/step Wall: 13103.3, 0.00296564/step, 0.526731 hours remaining, 209.246094 MB of memory in use. ENERGY: 4360600 720.1492 2080.0130 1965.1351 115.6769 -206153.3209 17672.2779 0.0000 0.0000 34234.6452 -149365.4236 298.9797 -183600.0688 -149275.0548 299.0030 -26.1697 9.5387 556745.5551 -12.5270 -12.5868 PRESSURE: 4360800 -103.097 -29.9227 -66.8641 -29.9249 37.3128 -161.233 -66.8648 -161.233 4.19668 GPRESSURE: 4360800 -99.665 -12.7487 -39.8856 -41.3662 68.0228 -220.024 72.5515 -224.773 62.6657 PRESSAVG: 4360800 -12.689 -18.3085 -0.175583 -18.3085 -4.95929 -44.4812 -0.175575 -44.4812 43.0592 GPRESSAVG: 4360800 -12.3937 -20.1317 0.55466 -17.1276 -5.53976 -46.3203 0.693043 -41.8452 43.8313 TIMING: 4360800 CPU: 13103.9, 0.00298676/step Wall: 13103.9, 0.00298676/step, 0.530315 hours remaining, 209.246094 MB of memory in use. ENERGY: 4360800 717.7196 2070.0777 1936.8335 118.2575 -206606.4998 17849.0060 0.0000 0.0000 34461.4213 -149453.1844 300.9602 -183914.6057 -149362.9959 298.8340 -20.5292 10.3412 556956.3226 8.4703 8.6326 PRESSURE: 4361000 106.789 52.219 -15.1861 52.2207 207.038 7.96161 -15.1854 7.96079 56.4199 GPRESSURE: 4361000 133.993 16.1591 -41.8216 19.8765 194.524 11.1404 49.4581 38.5432 123.853 PRESSAVG: 4361000 -14.4388 -34.0324 -7.08977 -34.0323 15.6528 35.2197 -7.08979 35.2197 -17.1298 GPRESSAVG: 4361000 -12.6402 -34.8089 -6.42252 -33.2917 16.2735 38.972 -7.18891 31.9173 -18.7425 TIMING: 4361000 CPU: 13104.5, 0.00301238/step Wall: 13104.5, 0.00301238/step, 0.534698 hours remaining, 209.246094 MB of memory in use. ENERGY: 4361000 747.8627 2054.8766 1946.2994 103.5658 -206570.6568 17958.0675 0.0000 0.0000 34210.1952 -149549.7896 298.7661 -183759.9848 -149450.2160 298.7391 123.4156 150.7900 555766.4373 -5.3052 -5.0364 PRESSURE: 4361200 90.0048 88.0722 -95.6379 88.0702 -234.717 100.784 -95.6383 100.785 -74.1767 GPRESSURE: 4361200 87.4667 55.3637 6.0449 94.1772 -175.118 136.951 -78.1071 131.718 -28.1857 PRESSAVG: 4361200 -62.4477 23.206 -23.204 23.206 43.6641 14.0306 -23.2041 14.0307 28.9846 GPRESSAVG: 4361200 -64.0671 25.7683 -23.2201 19.7699 43.9908 12.2876 -25.3967 13.9445 30.5287 TIMING: 4361200 CPU: 13105.1, 0.00299046/step Wall: 13105.1, 0.00299046/step, 0.530641 hours remaining, 209.246094 MB of memory in use. ENERGY: 4361200 733.9409 2044.1061 1984.0530 120.7988 -206336.2888 17830.0220 0.0000 0.0000 34306.9932 -149316.3748 299.6115 -183623.3679 -149220.5101 299.1445 -72.9630 -38.6124 557728.2522 3.4003 3.4841 PRESSURE: 4361400 161.713 -132.725 -95.4608 -132.724 -141.447 -101.154 -95.4605 -101.154 154.18 GPRESSURE: 4361400 229.311 -106.788 -153.693 -187.843 -105.871 -119.427 -119.516 -66.8811 163.151 PRESSAVG: 4361400 -8.34478 -3.38725 -2.37419 -3.38727 66.4122 59.191 -2.37427 59.1912 -32.919 GPRESSAVG: 4361400 -8.37471 -5.41768 -2.55822 -2.25228 66.2559 59.3368 -1.14769 59.4736 -32.0541 TIMING: 4361400 CPU: 13105.7, 0.00299719/step Wall: 13105.7, 0.0029972/step, 0.531669 hours remaining, 209.246094 MB of memory in use. ENERGY: 4361400 750.6946 2097.4323 1935.3555 117.8946 -206600.2308 18048.3917 0.0000 0.0000 34486.8264 -149163.6356 301.1820 -183650.4620 -149057.3125 299.5010 58.1484 95.5301 557925.0970 8.3828 8.6090 PRESSURE: 4361600 211.071 28.7253 -22.9545 28.7241 11.1007 -154.305 -22.9542 -154.305 159.105 GPRESSURE: 4361600 257.65 32.4582 -67.9646 84.6719 -2.24949 -256.657 -13.6077 -68.8914 223.537 PRESSAVG: 4361600 15.5897 9.37426 56.2457 9.37421 36.2541 -63.2264 56.2457 -63.2264 -28.1209 GPRESSAVG: 4361600 15.4747 10.585 53.2924 10.3268 36.9654 -64.1558 57.2594 -61.8335 -28.9131 TIMING: 4361600 CPU: 13106.3, 0.0029761/step Wall: 13106.3, 0.0029761/step, 0.527761 hours remaining, 209.371094 MB of memory in use. ENERGY: 4361600 727.9121 2053.3959 1954.0441 109.8111 -206233.7510 18027.3510 0.0000 0.0000 34163.7818 -149197.4551 298.3608 -183361.2369 -149101.4055 299.2049 127.0925 159.6458 557173.6915 7.9076 7.8423 PRESSURE: 4361800 66.7127 -31.593 145.956 -31.5932 2.98859 -5.09858 145.956 -5.09814 21.4046 GPRESSURE: 4361800 132.003 31.8235 125.096 -108.21 42.948 -51.2261 159.94 8.15336 8.84858 PRESSAVG: 4361800 -21.4175 -43.3975 4.96212 -43.3975 11.837 -11.5666 4.96208 -11.5665 -13.672 GPRESSAVG: 4361800 -20.9674 -42.4475 6.84922 -46.2471 11.7529 -13.5522 4.32496 -10.843 -13.989 TIMING: 4361800 CPU: 13106.8, 0.00298439/step Wall: 13106.8, 0.00298439/step, 0.529066 hours remaining, 209.371094 MB of memory in use. ENERGY: 4361800 727.2476 2064.4668 1948.2077 114.8382 -206295.2652 17849.3549 0.0000 0.0000 34530.8023 -149060.3477 301.5661 -183591.1500 -148962.0202 299.3984 30.3686 61.2666 558300.1844 -7.7508 -7.7345 PRESSURE: 4362000 -44.0177 153.531 23.245 153.532 91.5693 -117.513 23.2452 -117.514 114.387 GPRESSURE: 4362000 -55.7366 169.004 -30.989 152.742 153.498 -96.055 32.5668 -129.119 149.275 PRESSAVG: 4362000 18.5787 -38.0931 53.2517 -38.0931 -65.9542 9.48983 53.2516 9.48981 17.035 GPRESSAVG: 4362000 18.2843 -39.9151 53.0209 -34.7884 -66.9343 11.0551 52.4607 8.06809 18.193 TIMING: 4362000 CPU: 13107.4, 0.00297854/step Wall: 13107.4, 0.00297854/step, 0.527863 hours remaining, 209.371094 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: 4362000 725.1810 2117.4137 1960.1408 111.4919 -205963.5720 17959.7252 0.0000 0.0000 34170.1069 -148919.5126 298.4160 -183089.6194 -148832.3274 299.5796 53.9796 82.3455 559674.9161 -10.1135 -10.1524 PRESSURE: 4362200 140.463 -18.7805 113.571 -18.7804 -154.663 1.37916 113.571 1.38173 113.422 GPRESSURE: 4362200 182.644 -64.6077 114.204 9.0513 -142.812 -17.0791 147.226 23.8 168.06 PRESSAVG: 4362200 10.1142 4.03543 22.1002 4.03542 -26.0861 0.990276 22.1001 0.990389 4.75314 GPRESSAVG: 4362200 9.96804 5.46975 23.3546 3.59931 -25.4383 0.993717 21.9114 0.653275 4.55539 TIMING: 4362200 CPU: 13108, 0.00297322/step Wall: 13108, 0.00297322/step, 0.526756 hours remaining, 209.371094 MB of memory in use. ENERGY: 4362200 769.8099 2114.5513 1946.0433 108.7877 -206149.1221 18046.0151 0.0000 0.0000 34428.3240 -148735.5908 300.6711 -183163.9147 -148643.7662 300.3302 33.0741 69.2973 559974.7992 -3.7396 -3.6383 PRESSURE: 4362400 -111.998 129.468 -73.8531 129.469 -224.508 168.514 -73.8516 168.513 189.611 GPRESSURE: 4362400 -87.2365 120.458 -98.0085 142.18 -192.623 209.024 -5.85956 161.956 213.998 PRESSAVG: 4362400 61.579 -30.6567 79.5738 -30.6567 -16.1635 -11.9526 79.5738 -11.9528 2.76911 GPRESSAVG: 4362400 63.2154 -32.3554 77.143 -32.8821 -17.2189 -11.0817 80.7946 -11.1311 1.57746 TIMING: 4362400 CPU: 13108.6, 0.00297877/step Wall: 13108.6, 0.00297877/step, 0.527574 hours remaining, 209.371094 MB of memory in use. ENERGY: 4362400 766.6248 2120.0145 1946.3800 109.0951 -205820.4819 17725.1270 0.0000 0.0000 34658.0557 -148495.1848 302.6774 -183153.2405 -148402.2883 301.9146 -48.9651 -21.9539 559225.0751 16.0615 15.8580 PRESSURE: 4362600 248.331 77.2808 -1.8138 77.28 23.184 66.4812 -1.81504 66.4823 54.3801 GPRESSURE: 4362600 310.475 16.0216 -35.7435 76.2282 40.8593 111.002 94.6605 112.779 74.0411 PRESSAVG: 4362600 -73.687 -38.4289 -38.0262 -38.4289 -40.2723 8.63344 -38.0262 8.63346 76.0618 GPRESSAVG: 4362600 -75.7711 -37.5009 -39.7887 -39.058 -39.2879 8.25712 -35.5355 8.50419 76.9147 TIMING: 4362600 CPU: 13109.2, 0.00297464/step Wall: 13109.2, 0.00297464/step, 0.526676 hours remaining, 209.382812 MB of memory in use. ENERGY: 4362600 731.6651 2088.9128 1957.0460 117.4172 -205763.7934 17852.8889 0.0000 0.0000 34460.9409 -148554.9224 300.9560 -183015.8634 -148466.0019 300.9647 108.6316 141.7917 557892.7882 -12.6325 -12.7147 PRESSURE: 4362800 1.31552 -84.2024 -91.6202 -84.2017 12.0065 -36.082 -91.6202 -36.081 -230.052 GPRESSURE: 4362800 41.8867 -119.62 -77.0665 -174.521 22.4862 -59.5669 -102.036 -54.1908 -179.042 PRESSAVG: 4362800 5.26322 15.1479 -22.2544 15.1479 -21.2685 -0.893879 -22.2545 -0.893884 -1.00399 GPRESSAVG: 4362800 6.16188 16.0499 -19.1694 16.3484 -22.0345 0.240987 -25.5854 -0.409277 -0.786482 TIMING: 4362800 CPU: 13109.8, 0.00294941/step Wall: 13109.8, 0.00294941/step, 0.522045 hours remaining, 209.382812 MB of memory in use. ENERGY: 4362800 770.2324 2083.6009 1941.5975 109.6809 -205343.4834 17624.9993 0.0000 0.0000 34215.5682 -148597.8041 298.8131 -182813.3724 -148506.3658 301.3871 -72.2435 -38.2230 559168.9009 -5.6698 -5.5530 PRESSURE: 4363000 -143.081 107.093 58.9627 107.092 -158.457 -2.38729 58.9619 -2.38912 -90.1109 GPRESSURE: 4363000 -104.283 88.5363 150.051 173.573 -140.389 97.0254 34.798 -45.2907 -47.6278 PRESSAVG: 4363000 22.8281 11.1881 17.5611 11.1881 25.9338 -15.2904 17.5612 -15.2904 -36.8764 GPRESSAVG: 4363000 22.4396 10.1156 15.0947 10.8548 27.45 -16.1547 20.1742 -14.8304 -37.6039 TIMING: 4363000 CPU: 13110.4, 0.00296139/step Wall: 13110.4, 0.00296139/step, 0.524001 hours remaining, 209.382812 MB of memory in use. ENERGY: 4363000 764.2153 2057.1301 1942.0655 107.5610 -205598.7294 17546.8667 0.0000 0.0000 34512.2136 -148668.6771 301.4037 -183180.8907 -148568.4382 300.5237 -130.5497 -97.4332 559014.6270 3.9618 4.0952 PRESSURE: 4363200 -95.7793 -47.3648 41.4257 -47.3643 127.989 83.144 41.4259 83.1458 -305.858 GPRESSURE: 4363200 -65.8343 -54.3877 41.7712 -85.8991 130.287 100.626 -40.868 106.44 -248.69 PRESSAVG: 4363200 -0.181913 -12.2034 -34.6165 -12.2035 27.4705 23.9495 -34.6166 23.9496 -38.5068 GPRESSAVG: 4363200 -0.0367079 -12.1775 -31.6123 -11.2706 27.4643 24.0448 -38.0898 24.5291 -38.867 TIMING: 4363200 CPU: 13111, 0.00296414/step Wall: 13111, 0.00296414/step, 0.524323 hours remaining, 209.382812 MB of memory in use. ENERGY: 4363200 728.4720 2091.8344 1951.7925 103.6785 -205415.4720 17453.8756 0.0000 0.0000 34422.3542 -148663.4647 300.6190 -183085.8189 -148556.5277 300.3672 -91.2159 -61.4124 557685.7040 -3.7394 -3.8131 PRESSURE: 4363400 -133.853 -4.79183 40.1471 -4.79182 190.022 -74.6018 40.1464 -74.6024 49.5638 GPRESSURE: 4363400 -78.4069 4.31506 65.5171 -0.932889 225.138 -48.57 14.2025 -90.4549 47.0091 PRESSAVG: 4363400 -8.89263 -11.5348 -15.1809 -11.5348 30.3015 28.3015 -15.181 28.3016 -23.3224 GPRESSAVG: 4363400 -8.09214 -10.731 -14.962 -11.1816 30.1088 30.7001 -14.0149 25.7846 -23.562 TIMING: 4363400 CPU: 13111.6, 0.00296327/step Wall: 13111.6, 0.00296327/step, 0.524005 hours remaining, 209.382812 MB of memory in use. ENERGY: 4363400 713.0784 2094.1578 1960.2241 113.7005 -205445.9795 17667.5473 0.0000 0.0000 34306.7651 -148590.5064 299.6095 -182897.2715 -148493.5917 300.3402 35.2445 64.5802 557106.4139 -0.6378 -0.5151 PRESSURE: 4363600 105.619 70.0962 -15.5344 70.0962 -106.382 149.428 -15.5339 149.427 -73.7451 GPRESSURE: 4363600 116.473 -24.8323 -37.7957 -26.8149 -73.8974 144.522 -68.1225 136.461 -29.6752 PRESSAVG: 4363600 27.92 -13.9445 34.5849 -13.9444 36.8573 -4.39881 34.5848 -4.39882 -48.6144 GPRESSAVG: 4363600 26.3611 -14.7634 34.5394 -14.1729 37.5558 -8.23439 34.3022 -1.64999 -47.5995 TIMING: 4363600 CPU: 13112.2, 0.0029422/step Wall: 13112.2, 0.0029422/step, 0.520115 hours remaining, 209.382812 MB of memory in use. ENERGY: 4363600 697.8498 2089.8363 1947.6972 106.5989 -205467.4237 17531.5841 0.0000 0.0000 34494.6912 -148599.1661 301.2507 -183093.8574 -148504.2937 300.6267 -24.8359 4.3000 556707.2254 5.3876 5.4391 PRESSURE: 4363800 -12.7388 61.8285 122.234 61.8284 138.963 -47.8917 122.235 -47.89 -16.5586 GPRESSURE: 4363800 44.32 107.108 85.6195 -4.66846 144.545 -39.747 109.379 -48.5605 7.70313 PRESSAVG: 4363800 40.9456 18.1504 35.8244 18.1504 -35.4123 5.6632 35.8244 5.66322 10.1329 GPRESSAVG: 4363800 42.3871 18.1212 34.8013 19.0805 -35.8573 5.98877 36.6705 5.12585 9.49135 TIMING: 4363800 CPU: 13112.8, 0.00295566/step Wall: 13112.8, 0.00295566/step, 0.522331 hours remaining, 209.382812 MB of memory in use. ENERGY: 4363800 745.6747 2096.1229 1938.4446 103.5894 -205828.1232 17722.7450 0.0000 0.0000 34624.3705 -148597.1761 302.3832 -183221.5466 -148499.6155 302.0961 36.5553 65.5227 556329.2573 5.2221 5.3404 PRESSURE: 4364000 -169.081 102.391 77.813 102.391 325.56 99.6739 77.8132 99.6741 -68.4315 GPRESSURE: 4364000 -135.139 128.355 22.0921 119.914 405.592 93.7539 4.45951 115.705 -73.2646 PRESSAVG: 4364000 -19.3038 72.1298 24.6437 72.1297 63.4709 21.7259 24.6436 21.726 -13.2621 GPRESSAVG: 4364000 -20.3179 72.7723 23.0794 71.6443 64.5362 21.9129 23.2652 20.8312 -12.9579 TIMING: 4364000 CPU: 13113.4, 0.00296507/step Wall: 13113.4, 0.00296507/step, 0.523829 hours remaining, 209.382812 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: 4364000 766.5641 2147.5289 1939.1518 116.3088 -205888.8146 17758.5135 0.0000 0.0000 34285.5186 -148875.2289 299.4240 -183160.7475 -148774.5420 301.2536 29.3493 65.7294 556024.3400 10.3017 10.4201 PRESSURE: 4364200 -34.5302 -11.8855 -70.4422 -11.8852 -48.8391 -76.5085 -70.4406 -76.509 -99.3502 GPRESSURE: 4364200 -21.5701 -6.03436 -110.741 -57.6 5.95939 -99.9843 -78.7053 -53.3272 -65.1457 PRESSAVG: 4364200 -21.9183 58.04 28.3008 58.04 43.3794 38.4748 28.3009 38.4749 21.3656 GPRESSAVG: 4364200 -22.1567 59.5231 28.6225 57.4326 43.8052 38.9321 30.2808 41.0618 21.2643 TIMING: 4364200 CPU: 13114, 0.0029882/step Wall: 13114, 0.0029882/step, 0.527749 hours remaining, 209.382812 MB of memory in use. ENERGY: 4364200 787.7412 2090.7007 1943.7655 109.1286 -205918.6598 17765.3440 0.0000 0.0000 34327.7247 -148894.2549 299.7926 -183221.9796 -148792.3094 300.6051 -60.9065 -26.9188 556282.3079 14.2756 14.3043 LDB: ============= START OF LOAD BALANCING ============== 13117.5 LDB: ============== END OF LOAD BALANCING =============== 13117.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13117.5 LDB: ============= START OF LOAD BALANCING ============== 13117.8 LDB: Largest compute 4773 load 0.026551 is 22.5% of average load 0.118179 LDB: Average compute 0.001730 is 1.5% of average load 0.118179 LDB: TIME 13117.8 LOAD: AVG 0.118179 MAX 0.203546 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.953 MB LDB: TIME 13117.8 LOAD: AVG 0.118179 MAX 0.203546 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.953 MB LDB: TIME 13117.8 LOAD: AVG 0.118179 MAX 0.203546 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.953 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13117.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13117.8 PRESSURE: 4364400 -69.1484 -99.8553 -15.148 -99.8552 -33.9991 54.7559 -15.1482 54.7546 149.663 GPRESSURE: 4364400 -22.0247 -58.4789 50.8404 -103.931 -35.0275 54.8032 -100.826 92.1864 202.464 PRESSAVG: 4364400 24.842 -43.3058 39.7322 -43.3058 -27.5052 7.92896 39.7322 7.92884 22.4449 GPRESSAVG: 4364400 25.0807 -45.2423 41.0087 -43.6559 -27.6821 7.49898 40.4057 6.48315 22.466 TIMING: 4364400 CPU: 13114.6, 0.00300985/step Wall: 13114.6, 0.00300985/step, 0.531406 hours remaining, 209.234375 MB of memory in use. ENERGY: 4364400 758.3368 2115.0193 1950.7224 116.5568 -206137.4722 17717.3937 0.0000 0.0000 34304.4254 -149175.0179 299.5891 -183479.4433 -149075.9377 299.9950 15.5053 48.4705 556509.6973 6.5939 6.6215 PRESSURE: 4364600 111.064 28.0968 53.2467 28.0982 -172.306 1.36837 53.2476 1.36807 105.274 GPRESSURE: 4364600 121.899 -18.3372 24.2075 -38.3291 -175.817 60.6247 41.4827 45.1859 185.969 PRESSAVG: 4364600 -9.54458 24.0856 -62.2289 24.0856 -65.3824 -52.6606 -62.2289 -52.6604 18.1593 GPRESSAVG: 4364600 -9.84406 25.9483 -63.4294 24.1732 -66.7185 -50.8127 -63.0176 -54.8742 19.8002 TIMING: 4364600 CPU: 13115.2, 0.00295074/step Wall: 13115.2, 0.00295074/step, 0.520806 hours remaining, 209.437500 MB of memory in use. ENERGY: 4364600 765.1209 2121.4878 1946.5714 104.6476 -206223.7030 17889.0005 0.0000 0.0000 34242.4255 -149154.4492 299.0476 -183396.8747 -149052.9373 299.7313 14.6774 44.0172 556753.8109 -18.9226 -18.9208 PRESSURE: 4364800 112.394 15.7365 -167.985 15.7366 -135.519 -159.757 -167.986 -159.758 -16.3198 GPRESSURE: 4364800 58.7195 -70.2739 -178.306 111.749 -68.7471 -165.261 -148.077 -204.146 64.5827 PRESSAVG: 4364800 13.7501 18.3324 -28.9499 18.3323 -54.3433 -22.9174 -28.95 -22.9175 12.1866 GPRESSAVG: 4364800 13.5222 17.4888 -30.5427 20.3484 -53.6534 -25.7622 -28.7853 -20.2753 11.8922 TIMING: 4364800 CPU: 13115.8, 0.00295999/step Wall: 13115.8, 0.00295999/step, 0.522273 hours remaining, 209.437500 MB of memory in use. ENERGY: 4364800 730.1643 2166.8818 1950.1600 115.3015 -206010.4808 17739.1443 0.0000 0.0000 34251.2827 -149057.5463 299.1250 -183308.8290 -148962.2912 299.4517 -13.1483 18.1850 557955.5001 -9.4689 -9.4130 PRESSURE: 4365000 143.243 4.80224 3.315 4.80299 -1.81349 -120.433 3.31365 -120.434 -194.938 GPRESSURE: 4365000 100.541 7.63388 -32.53 13.2882 120.624 -44.9201 -0.324759 -229.813 -185.247 PRESSAVG: 4365000 40.5477 34.0742 -8.47107 34.0741 -74.5898 -11.5061 -8.47103 -11.506 8.47435 GPRESSAVG: 4365000 41.6701 35.0354 -6.47763 32.2266 -74.0928 -12.3094 -8.0106 -11.4103 6.38905 TIMING: 4365000 CPU: 13116.3, 0.00294446/step Wall: 13116.3, 0.00294446/step, 0.51937 hours remaining, 209.437500 MB of memory in use. ENERGY: 4365000 731.5634 2165.1455 1939.7196 115.3451 -206125.1060 17764.3140 0.0000 0.0000 34279.8175 -149129.2009 299.3742 -183409.0183 -149033.7610 299.6207 -17.8361 11.9725 557903.9677 -8.5226 -8.6779 PRESSURE: 4365200 68.4525 21.2334 -37.0607 21.2331 -156.362 -38.9199 -37.0605 -38.9194 66.2001 GPRESSURE: 4365200 151.858 -12.3794 -34.539 -17.8712 -132.821 -23.1349 -90.4972 -73.2417 56.5894 PRESSAVG: 4365200 8.19786 79.1069 -41.0368 79.1069 56.0589 -1.15251 -41.0368 -1.15253 -16.225 GPRESSAVG: 4365200 8.44045 78.468 -41.3596 79.4825 54.9087 0.340151 -42.5253 -1.55418 -15.3913 TIMING: 4365200 CPU: 13116.9, 0.00295154/step Wall: 13116.9, 0.00295154/step, 0.520454 hours remaining, 209.437500 MB of memory in use. ENERGY: 4365200 779.3601 2154.9806 1935.5303 115.6716 -206249.8573 17725.9190 0.0000 0.0000 34423.5672 -149114.8285 300.6296 -183538.3957 -149015.5251 300.2246 -7.2364 25.2089 555607.5506 16.0106 15.9860 PRESSURE: 4365400 17.7183 -26.5763 -143.157 -26.5767 -56.5316 92.0011 -143.159 92.0009 -237.203 GPRESSURE: 4365400 61.1924 -13.5057 -77.9404 2.31424 -30.499 135.442 -201.339 39.3453 -213.993 PRESSAVG: 4365400 2.66176 8.6691 -13.6589 8.66905 -48.7674 29.3704 -13.659 29.3704 44.0116 GPRESSAVG: 4365400 2.80516 10.6006 -12.3599 8.88543 -47.9718 30.3129 -13.0932 28.0932 43.4082 TIMING: 4365400 CPU: 13117.5, 0.00296526/step Wall: 13117.5, 0.00296526/step, 0.522709 hours remaining, 209.437500 MB of memory in use. ENERGY: 4365400 763.9234 2107.1041 1953.3576 119.2768 -206340.3619 17802.5521 0.0000 0.0000 34345.6121 -149248.5359 299.9488 -183594.1479 -149150.4086 300.1071 -92.0055 -61.0999 556154.7010 -0.6980 -0.5861 PRESSURE: 4365600 -167.346 19.7958 163.273 19.7972 -273.211 -85.037 163.273 -85.0384 -94.8234 GPRESSURE: 4365600 -120.22 -36.3271 239.838 68.3362 -278.405 -110.617 35.253 -107.267 -44.762 PRESSAVG: 4365600 -28.9042 29.5485 -32.5046 29.5485 108.249 8.3722 -32.5046 8.37224 -32.3508 GPRESSAVG: 4365600 -29.8605 27.1558 -32.9365 30.7658 109.242 6.63305 -31.6578 8.65253 -32.6311 TIMING: 4365600 CPU: 13118.1, 0.00298432/step Wall: 13118.1, 0.00298432/step, 0.525903 hours remaining, 209.437500 MB of memory in use. ENERGY: 4365600 736.2924 2075.7329 1961.0746 100.2685 -206041.1646 17530.8584 0.0000 0.0000 34227.1138 -149409.8241 298.9139 -183636.9379 -149311.5094 299.1915 -178.4601 -147.7956 557273.2028 15.6648 15.5836 PRESSURE: 4365800 -39.8252 -112.359 -80.9716 -112.359 309.043 -7.1878 -80.9711 -7.18766 60.6954 GPRESSURE: 4365800 8.17803 -185.73 -58.457 -120.356 298.984 79.8394 -58.1203 61.0374 123.968 PRESSAVG: 4365800 -33.6156 17.9479 4.90139 17.9479 21.1262 -47.0245 4.90139 -47.0244 16.4347 GPRESSAVG: 4365800 -33.7464 18.5789 4.00011 16.5416 21.211 -42.881 5.45436 -47.4761 17.0607 TIMING: 4365800 CPU: 13118.7, 0.00297493/step Wall: 13118.7, 0.00297493/step, 0.524084 hours remaining, 209.437500 MB of memory in use. ENERGY: 4365800 736.0419 2118.7144 1926.3804 116.2408 -206398.6850 17796.8056 0.0000 0.0000 34219.2042 -149485.2977 298.8448 -183704.5019 -149388.5490 298.3699 109.9712 143.7099 556102.1501 1.3151 1.5085 PRESSURE: 4366000 -173.422 -203.476 -106.791 -203.477 25.2281 -111.453 -106.791 -111.452 -69.5996 GPRESSURE: 4366000 -111.866 -144.547 -73.5239 -199.579 74.049 -229.765 -101.154 -117.549 -82.4551 PRESSAVG: 4366000 -41.2238 -53.1178 -30.5749 -53.1177 35.6612 23.4607 -30.5749 23.4608 -4.96213 GPRESSAVG: 4366000 -40.3725 -52.6195 -30.0971 -53.5171 34.0629 21.2898 -32.664 23.6255 -3.87092 TIMING: 4366000 CPU: 13119.3, 0.00296629/step Wall: 13119.3, 0.00296629/step, 0.522397 hours remaining, 209.437500 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: 4366000 770.1112 2138.5344 1949.3690 109.5814 -206458.0960 17794.3687 0.0000 0.0000 34218.0716 -149478.0598 298.8349 -183696.1313 -149389.8502 298.0040 -72.5979 -40.0907 555327.1908 -3.5083 -3.3935 PRESSURE: 4366200 86.6419 169.682 26.531 169.682 -156.166 128.767 26.5306 128.766 3.77047 GPRESSURE: 4366200 142.218 162.2 86.2031 145.123 -106.548 114.177 -47.7356 74.54 -12.4851 PRESSAVG: 4366200 25.9632 -56.6006 5.71385 -56.6005 6.42478 15.2229 5.71386 15.2229 -4.07041 GPRESSAVG: 4366200 26.0806 -56.0108 5.30337 -56.6849 6.99534 14.703 6.08119 15.3269 -4.46584 TIMING: 4366200 CPU: 13119.9, 0.00297336/step Wall: 13119.9, 0.00297336/step, 0.523477 hours remaining, 209.437500 MB of memory in use. ENERGY: 4366200 744.1927 2035.9544 1955.8473 107.8763 -206154.1823 17752.4996 0.0000 0.0000 34094.3032 -149463.5088 297.7540 -183557.8120 -149367.9112 299.0813 -21.9177 7.7281 556011.0275 9.4392 9.5367 PRESSURE: 4366400 -24.6783 -99.0665 -3.25172 -99.0657 50.1805 9.04036 -3.25006 9.04263 -301.914 GPRESSURE: 4366400 38.3222 -75.5248 -1.30018 -212.039 2.24659 -41.037 -22.83 45.4073 -218.887 PRESSAVG: 4366400 60.3328 20.0355 36.9602 20.0355 -63.7777 4.52214 36.9602 4.52216 39.0489 GPRESSAVG: 4366400 59.7867 19.6808 38.1991 21.5292 -63.6205 5.31893 36.703 4.00373 39.3752 TIMING: 4366400 CPU: 13120.5, 0.00296429/step Wall: 13120.5, 0.00296429/step, 0.521716 hours remaining, 209.437500 MB of memory in use. ENERGY: 4366400 743.2403 2037.2163 1935.4759 106.7530 -206247.8744 17739.0113 0.0000 0.0000 34019.9542 -149666.2234 297.1047 -183686.1776 -149571.5852 298.4620 -92.1373 -59.4393 557034.2677 11.8680 11.8471 PRESSURE: 4366600 61.6611 -245.889 186.565 -245.889 149.593 -111.018 186.564 -111.018 -32.4158 GPRESSURE: 4366600 124.985 -269.175 197.621 -207.802 138.143 -141.982 75.9093 -102.331 5.07454 PRESSAVG: 4366600 24.9497 -14.2428 41.393 -14.2428 -12.949 12.0577 41.393 12.0576 -22.5611 GPRESSAVG: 4366600 24.4564 -14.3766 40.6365 -14.9938 -13.0932 11.287 41.5558 11.9703 -21.4783 TIMING: 4366600 CPU: 13121.1, 0.0029669/step Wall: 13121.1, 0.0029669/step, 0.52201 hours remaining, 209.437500 MB of memory in use. ENERGY: 4366600 720.1842 2071.2505 1927.7393 118.1633 -206630.1600 18053.3887 0.0000 0.0000 34008.3261 -149731.1079 297.0032 -183739.4340 -149642.3857 298.3865 59.6126 89.4007 557763.5741 -3.5201 -3.3717 PRESSURE: 4366800 -84.7126 114.989 -208.23 114.989 90.0231 139.747 -208.228 139.747 42.7016 GPRESSURE: 4366800 -77.5693 161.884 -260.166 15.5092 107.573 151.086 -153.687 214.121 119.405 PRESSAVG: 4366800 -80.911 -26.3972 -47.355 -26.3973 48.0301 1.26516 -47.3549 1.26522 21.5279 GPRESSAVG: 4366800 -79.3764 -26.2625 -48.6566 -26.3705 48.4328 0.268269 -45.8018 2.10198 19.3235 TIMING: 4366800 CPU: 13121.7, 0.00294836/step Wall: 13121.7, 0.00294836/step, 0.518584 hours remaining, 209.437500 MB of memory in use. ENERGY: 4366800 712.9711 2030.6565 1952.0422 119.9452 -206609.6126 18007.2976 0.0000 0.0000 34053.9521 -149732.7480 297.4016 -183786.7000 -149641.3171 297.9043 16.0040 49.8030 557881.4825 -3.7843 -3.8734 PRESSURE: 4367000 -1.23091 -176.475 73.031 -176.475 -91.4826 -115.779 73.0299 -115.779 -173.535 GPRESSURE: 4367000 64.4282 -113.335 61.4257 -203.472 -103.211 -113.008 23.4677 -134.679 -128.207 PRESSAVG: 4367000 37.402 -35.0187 -12.8291 -35.0187 8.38509 18.9089 -12.8291 18.9091 -42.9172 GPRESSAVG: 4367000 36.5286 -34.6853 -13.1673 -35.7469 8.5821 18.9334 -13.6701 18.7559 -41.796 TIMING: 4367000 CPU: 13122.3, 0.00294681/step Wall: 13122.3, 0.00294681/step, 0.518147 hours remaining, 209.437500 MB of memory in use. ENERGY: 4367000 777.4197 2014.2944 1960.7023 117.9177 -206381.7401 17774.1918 0.0000 0.0000 34093.8109 -149643.4033 297.7497 -183737.2142 -149539.1340 297.5000 -88.7494 -55.6633 557625.1964 0.9566 1.1049 PRESSURE: 4367200 16.965 -60.0486 45.1925 -60.0473 174.231 -21.1607 45.1919 -21.1614 141.266 GPRESSURE: 4367200 73.0874 -35.6523 -51.2678 -19.1499 216.201 11.0719 44.4065 -32.6173 139.484 PRESSAVG: 4367200 38.0692 -51.9613 -6.9584 -51.9613 -62.8059 42.2996 -6.9583 42.2995 39.2747 GPRESSAVG: 4367200 38.7024 -53.4141 -6.03001 -52.9586 -62.8831 44.9059 -6.66459 40.9707 38.9078 TIMING: 4367200 CPU: 13122.9, 0.00297235/step Wall: 13122.9, 0.00297235/step, 0.522472 hours remaining, 209.437500 MB of memory in use. ENERGY: 4367200 745.0741 2033.4086 1931.9310 117.1359 -206785.9390 18077.2394 0.0000 0.0000 34151.9443 -149729.2058 298.2574 -183881.1501 -149633.3227 297.6831 110.8207 142.9243 557223.6674 4.8460 4.9090 PRESSURE: 4367400 11.6366 10.3615 224.759 10.3621 -182.291 222.481 224.758 222.482 115.958 GPRESSURE: 4367400 68.0349 47.6109 225.578 46.3115 -191.165 161.812 199.048 185.248 162.035 PRESSAVG: 4367400 -54.8962 2.93119 -7.1878 2.93113 7.76653 41.5449 -7.18775 41.545 67.9992 GPRESSAVG: 4367400 -55.3376 3.32062 -8.57399 3.94993 7.77595 40.3207 -7.2176 43.1004 68.4896 TIMING: 4367400 CPU: 13123.5, 0.00296104/step Wall: 13123.5, 0.00296104/step, 0.520321 hours remaining, 209.437500 MB of memory in use. ENERGY: 4367400 727.1930 2052.5044 1954.2782 115.0361 -206278.9970 17801.6150 0.0000 0.0000 34041.0734 -149587.2970 297.2892 -183628.3703 -149491.9669 298.2361 -18.2321 12.9683 558449.4983 6.9565 6.9760 PRESSURE: 4367600 -297.699 34.6492 -184.059 34.6477 -372.762 58.9947 -184.06 58.9947 -95.0786 GPRESSURE: 4367600 -221.591 3.31443 -74.7362 45.6348 -362.194 118.684 -176.709 28.1302 -86.5422 PRESSAVG: 4367600 7.78144 22.3935 47.5138 22.3934 5.59583 37.46 47.5137 37.46 28.3246 GPRESSAVG: 4367600 8.20685 21.6067 49.5999 23.67 6.45969 36.0844 46.8959 38.3525 26.7074 TIMING: 4367600 CPU: 13124, 0.0029597/step Wall: 13124, 0.0029597/step, 0.519921 hours remaining, 209.437500 MB of memory in use. ENERGY: 4367600 732.3373 2099.4320 1934.8293 120.3486 -206129.0465 17427.8000 0.0000 0.0000 34273.9639 -149540.3354 299.3231 -183814.2993 -149436.7608 298.9279 -255.1798 -223.4423 557805.5080 13.9006 13.7913 PRESSURE: 4367800 102.762 87.542 102.638 87.5424 -10.483 -201.925 102.639 -201.925 233.467 GPRESSURE: 4367800 143.722 95.7434 68.8064 42.1014 -8.19247 -143.754 175.175 -270.462 286.203 PRESSAVG: 4367800 7.98321 19.2223 -41.2563 19.2223 9.91016 1.78851 -41.2563 1.78849 0.0359668 GPRESSAVG: 4367800 6.95861 19.8735 -40.8018 19.7782 9.38777 2.32834 -41.4919 0.147447 1.4258 TIMING: 4367800 CPU: 13124.6, 0.00296826/step Wall: 13124.6, 0.00296826/step, 0.521259 hours remaining, 209.437500 MB of memory in use. ENERGY: 4367800 722.5670 2092.0984 1947.8349 116.1969 -206594.5750 18167.9999 0.0000 0.0000 34077.7908 -149470.0872 297.6098 -183547.8780 -149372.7023 298.2205 108.5823 140.5775 557312.5402 5.9764 5.9241 PRESSURE: 4368000 -143.734 -195.271 50.7796 -195.271 88.3028 57.2969 50.7805 57.2969 -138.21 GPRESSURE: 4368000 -75.7017 -209.525 37.6073 -145.33 125.156 78.5559 86.1052 34.7345 -140.76 PRESSAVG: 4368000 7.73219 -27.1173 10.7901 -27.1174 36.7381 64.9189 10.7901 64.9189 -40.6025 GPRESSAVG: 4368000 7.91993 -28.268 9.49947 -27.7815 36.6612 63.082 11.3092 65.8863 -40.6514 TIMING: 4368000 CPU: 13125.2, 0.00295052/step Wall: 13125.2, 0.00295052/step, 0.51798 hours remaining, 209.437500 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: 4368000 754.1724 2081.4631 1956.0088 100.9305 -206352.4190 17853.3406 0.0000 0.0000 33984.4020 -149622.1017 296.7942 -183606.5037 -149529.5492 297.5931 -64.5470 -30.4353 556167.9438 1.2893 1.3099 PRESSURE: 4368200 -8.36589 30.7681 14.4487 30.7676 -379.911 42.6825 14.4468 42.6832 75.9686 GPRESSURE: 4368200 33.2506 -1.20464 5.39623 142.668 -231.805 116.188 -43.3624 -0.028161 -14.5962 PRESSAVG: 4368200 -19.6923 -20.8158 36.9363 -20.8159 -68.9992 10.9204 36.9362 10.9204 77.7876 GPRESSAVG: 4368200 -20.5598 -18.9621 38.17 -22.0129 -68.2194 11.5161 36.5312 11.7839 77.8829 TIMING: 4368200 CPU: 13125.8, 0.00294734/step Wall: 13125.8, 0.00294734/step, 0.517259 hours remaining, 209.437500 MB of memory in use. ENERGY: 4368200 755.6049 2106.6886 1930.1675 114.5237 -206175.0525 17702.4248 0.0000 0.0000 34070.8615 -149494.7816 297.5493 -183565.6431 -149402.4925 298.4110 -104.1026 -71.0503 556844.5682 -3.6347 -3.6321 LDB: ============= START OF LOAD BALANCING ============== 13129.3 LDB: ============== END OF LOAD BALANCING =============== 13129.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13129.3 LDB: ============= START OF LOAD BALANCING ============== 13129.6 LDB: Largest compute 4773 load 0.028131 is 23.8% of average load 0.118082 LDB: Average compute 0.001744 is 1.5% of average load 0.118082 LDB: TIME 13129.6 LOAD: AVG 0.118082 MAX 0.202123 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.895 MB LDB: TIME 13129.6 LOAD: AVG 0.118082 MAX 0.202123 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.098 MB LDB: TIME 13129.6 LOAD: AVG 0.118082 MAX 0.202123 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.098 MB LDB: ============== END OF LOAD BALANCING =============== 13129.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13129.6 PRESSURE: 4368400 -160.712 13.5061 54.4012 13.5055 -116.248 -172.055 54.4013 -172.055 -75.1194 GPRESSURE: 4368400 -146.394 -5.82556 -43.313 -38.6825 -48.243 -289.027 91.9858 -132.989 -46.0876 PRESSAVG: 4368400 8.31012 23.3395 26.9246 23.3396 41.4019 -9.09686 26.9247 -9.09687 -1.40881 GPRESSAVG: 4368400 7.28832 24.8851 27.1737 23.0907 42.1649 -8.34148 25.4547 -10.0342 -0.882095 TIMING: 4368400 CPU: 13126.4, 0.00301731/step Wall: 13126.4, 0.00301731/step, 0.52937 hours remaining, 208.980469 MB of memory in use. ENERGY: 4368400 754.4497 2063.3461 1924.8426 114.7437 -206033.9683 17609.6046 0.0000 0.0000 34363.1711 -149203.8104 300.1021 -183566.9815 -149099.6746 299.1084 -117.3598 -80.2415 556198.1440 16.1011 16.1904 PRESSURE: 4368600 -117.661 40.4915 -10.2251 40.4918 37.357 50.1823 -10.2258 50.1822 81.6944 GPRESSURE: 4368600 -98.9917 18.8961 128.521 106.191 94.644 -2.59829 -109.687 168.042 96.0723 PRESSAVG: 4368600 -50.3299 53.9504 -13.2372 53.9504 -33.5434 10.9636 -13.2373 10.9635 68.5079 GPRESSAVG: 4368600 -48.8617 52.6311 -12.5334 53.2963 -33.3136 11.089 -14.0574 10.2913 67.6747 TIMING: 4368600 CPU: 13127, 0.00295978/step Wall: 13127, 0.00295978/step, 0.519112 hours remaining, 209.183594 MB of memory in use. ENERGY: 4368600 737.0066 2096.6734 1920.7134 116.4414 -205670.1284 17652.4898 0.0000 0.0000 34123.4419 -149023.3619 298.0085 -183146.8039 -148919.5154 298.5977 0.4635 30.5749 558301.7118 -5.1218 -4.8335 PRESSURE: 4368800 -13.1966 57.7789 -11.101 57.7799 -215.691 33.6294 -11.1001 33.6304 110.083 GPRESSURE: 4368800 2.77625 104.985 -127.719 58.2722 -183.655 47.6834 0.988941 48.8305 162.276 PRESSAVG: 4368800 -22.5819 47.4988 61.1582 47.4988 -66.8627 14.5357 61.1582 14.5358 74.144 GPRESSAVG: 4368800 -22.8276 47.9261 59.0398 48.6857 -67.855 12.7134 62.1859 17.4897 75.4928 TIMING: 4368800 CPU: 13127.6, 0.00295467/step Wall: 13127.6, 0.00295467/step, 0.518052 hours remaining, 209.183594 MB of memory in use. ENERGY: 4368800 794.1348 2122.8332 1934.9483 107.2858 -206197.6366 17832.9334 0.0000 0.0000 34345.9729 -149059.5283 299.9519 -183405.5013 -148959.8099 299.1132 -39.6015 -6.2010 556484.5085 -5.1002 -5.0633 PRESSURE: 4369000 36.3435 -33.6077 95.4934 -33.6074 157.832 169.731 95.4922 169.73 122.469 GPRESSURE: 4369000 64.0177 -102.439 90.74 -96.9996 151.733 163.848 121.457 217.571 202.229 PRESSAVG: 4369000 -26.9375 -15.0301 2.6328 -15.0302 -45.2221 19.3268 2.6327 19.3268 58.0948 GPRESSAVG: 4369000 -25.5686 -15.2112 3.72722 -14.9463 -46.082 20.5688 2.69913 16.818 57.8147 TIMING: 4369000 CPU: 13128.2, 0.00297723/step Wall: 13128.2, 0.00297723/step, 0.521842 hours remaining, 209.183594 MB of memory in use. ENERGY: 4369000 717.1630 2091.6510 1971.3053 112.8806 -206151.2079 17917.8271 0.0000 0.0000 34348.5230 -148991.8579 299.9742 -183340.3808 -148883.1654 299.7708 105.5482 139.3267 556637.2060 -4.6883 -4.6120 PRESSURE: 4369200 -234.629 -29.1296 -174.856 -29.1298 101.496 -26.2495 -174.855 -26.2492 -41.2702 GPRESSURE: 4369200 -140.656 -30.5261 -212.973 9.47038 43.0377 -38.8136 -140.811 8.5008 7.6101 PRESSAVG: 4369200 -14.9716 -38.9812 -59.5124 -38.9812 10.614 28.2423 -59.5124 28.2422 38.9519 GPRESSAVG: 4369200 -15.6265 -39.2441 -60.9821 -38.6374 10.989 28.0191 -57.4442 28.5206 38.7028 TIMING: 4369200 CPU: 13128.8, 0.00298435/step Wall: 13128.8, 0.00298435/step, 0.522924 hours remaining, 209.183594 MB of memory in use. ENERGY: 4369200 794.9924 2042.8549 1964.4032 106.5474 -205888.1539 17672.7544 0.0000 0.0000 34243.8951 -149062.7065 299.0605 -183306.6016 -148964.1135 300.5009 -58.1346 -30.0028 556669.4879 11.5314 11.3551 PRESSURE: 4369400 -72.6095 -31.673 68.634 -31.6731 -158.199 184.486 68.6348 184.485 -148.32 GPRESSURE: 4369400 32.0988 -34.0013 -55.811 -60.6115 -153.269 193.332 144.315 163.712 -147.468 PRESSAVG: 4369400 -45.2678 -2.10826 -31.1079 -2.10826 21.6493 17.1682 -31.1079 17.1681 5.64251 GPRESSAVG: 4369400 -45.1051 -0.821294 -31.9236 -1.52954 21.0472 18.7168 -31.4032 15.4245 6.12119 TIMING: 4369400 CPU: 13129.4, 0.00297042/step Wall: 13129.4, 0.00297042/step, 0.520319 hours remaining, 209.183594 MB of memory in use. ENERGY: 4369400 782.2611 2075.1599 1928.2717 112.3442 -206393.8968 17905.7941 0.0000 0.0000 34439.8559 -149150.2099 300.7718 -183590.0658 -149058.3516 299.6353 -126.3762 -89.5458 559682.5246 -5.9920 -5.9789 PRESSURE: 4369600 -138.844 51.7565 170.832 51.7572 -392.435 14.4867 170.832 14.4859 -297.707 GPRESSURE: 4369600 -172.312 65.7981 105.479 3.77615 -292.754 -50.4724 194.482 28.0411 -275.855 PRESSAVG: 4369600 38.895 -25.1494 -11.6831 -25.1493 -45.0873 29.0254 -11.6832 29.0255 -2.01403 GPRESSAVG: 4369600 38.4652 -27.0984 -8.69004 -25.707 -44.7849 27.9397 -14.009 28.9181 -1.88459 TIMING: 4369600 CPU: 13130, 0.00296795/step Wall: 13130, 0.00296795/step, 0.51972 hours remaining, 209.183594 MB of memory in use. ENERGY: 4369600 776.3458 2080.0419 1957.0900 111.3795 -205555.2398 17317.1240 0.0000 0.0000 34167.7767 -149145.4819 298.3957 -183313.2585 -149041.5402 299.4943 -276.3287 -246.9736 559516.2893 -2.7354 -2.7348 PRESSURE: 4369800 19.1473 -33.3598 -168.503 -33.3606 74.0402 -72.7298 -168.504 -72.7313 146.754 GPRESSURE: 4369800 48.2132 -106.964 -78.4028 -58.3487 123.753 -42.6791 -157.92 63.8463 161.987 PRESSAVG: 4369800 -2.97781 -12.6974 7.14609 -12.6975 -13.1863 9.7814 7.14614 9.78139 25.6228 GPRESSAVG: 4369800 -2.06003 -13.2959 4.17352 -11.7436 -13.2927 8.84509 10.0818 10.9629 24.9699 TIMING: 4369800 CPU: 13130.6, 0.0029657/step Wall: 13130.6, 0.0029657/step, 0.519163 hours remaining, 209.183594 MB of memory in use. ENERGY: 4369800 725.1179 2095.0739 1934.9229 118.9231 -206050.9096 17803.5960 0.0000 0.0000 34167.3211 -149205.9548 298.3917 -183373.2759 -149110.0291 299.1540 79.9807 111.3176 556462.7543 3.1529 3.2057 PRESSURE: 4370000 -111.323 111.86 9.41567 111.861 97.9346 -61.1431 9.41592 -61.144 -111.476 GPRESSURE: 4370000 -112.071 154.098 -16.1448 97.1559 143.39 -111.876 116.876 4.27468 -58.7025 PRESSAVG: 4370000 33.5421 35.4251 8.06409 35.4251 49.535 -10.8274 8.0642 -10.8273 -41.6577 GPRESSAVG: 4370000 33.0782 37.2602 9.47304 34.4545 50.0094 -10.1463 6.00629 -11.2658 -41.4837 TIMING: 4370000 CPU: 13131.2, 0.00295375/step Wall: 13131.2, 0.00295375/step, 0.516906 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: 4370000 719.0778 2154.3407 1932.6905 111.0094 -205824.1709 17584.0611 0.0000 0.0000 34222.0707 -149100.9207 298.8699 -183322.9914 -149012.5714 299.1415 -41.6215 -9.1280 558453.0207 13.8065 13.8680 PRESSURE: 4370200 -8.18489 125.554 80.015 125.554 122.985 183.479 80.016 183.478 -3.23981 GPRESSURE: 4370200 55.3051 78.5044 57.2028 119.092 115.636 186.393 48.1931 237.191 35.8516 PRESSAVG: 4370200 -6.09325 90.1983 24.4587 90.1984 27.2031 6.26722 24.4588 6.26729 -37.081 GPRESSAVG: 4370200 -5.75988 93.1415 25.1311 88.0181 27.7647 5.42239 23.9439 7.4506 -37.8091 TIMING: 4370200 CPU: 13131.8, 0.00293276/step Wall: 13131.8, 0.00293276/step, 0.51307 hours remaining, 209.183594 MB of memory in use. ENERGY: 4370200 708.6686 2037.3634 1922.8628 105.2624 -205813.2701 17751.3006 0.0000 0.0000 34210.0069 -149077.8055 298.7645 -183287.8124 -148983.5629 299.3271 37.1866 68.9310 557691.1449 -5.3237 -5.2681 PRESSURE: 4370400 -95.1266 63.5643 187.029 63.5642 -98.2337 104.474 187.027 104.472 157.134 GPRESSURE: 4370400 -55.307 49.1903 74.2565 48.664 -57.5721 186.535 248.093 -11.4066 169.957 PRESSAVG: 4370400 -25.0636 9.64376 23.786 9.64377 21.8421 67.4135 23.786 67.4135 -31.3105 GPRESSAVG: 4370400 -25.8243 8.21763 25.0033 11.6989 21.3135 67.6381 23.698 65.8893 -30.4313 TIMING: 4370400 CPU: 13132.3, 0.00295083/step Wall: 13132.3, 0.00295083/step, 0.516067 hours remaining, 209.183594 MB of memory in use. ENERGY: 4370400 732.2060 2061.0174 1945.5173 117.1344 -205678.7546 17554.7011 0.0000 0.0000 34300.9287 -148967.2497 299.5585 -183268.1783 -148876.6521 299.0081 -12.0755 19.0260 558192.1881 -11.5107 -11.6474 PRESSURE: 4370600 138 -60.3946 -25.1206 -60.3956 11.569 132.183 -25.1212 132.184 111.106 GPRESSURE: 4370600 218.127 -127.37 -31.1015 24.4849 71.949 140.286 -61.8736 144.199 80.6108 PRESSAVG: 4370600 -33.4299 41.171 34.0244 41.171 -16.3399 60.9953 34.0242 60.9953 39.9542 GPRESSAVG: 4370600 -33.4377 40.7884 33.1463 38.0086 -17.0617 62.3739 33.5241 60.3169 40.5833 TIMING: 4370600 CPU: 13132.9, 0.00294365/step Wall: 13132.9, 0.00294365/step, 0.514647 hours remaining, 209.183594 MB of memory in use. ENERGY: 4370600 722.3708 2039.1641 1942.5679 111.6747 -206464.4882 18058.6872 0.0000 0.0000 34428.5138 -149161.5097 300.6728 -183590.0235 -149073.2274 298.9220 86.8918 123.5622 557814.7242 -3.2719 -3.3054 PRESSURE: 4370800 39.8106 70.3483 -8.78384 70.3479 98.8089 -26.5473 -8.7834 -26.5475 -21.4443 GPRESSURE: 4370800 20.5713 107.25 -86.3903 62.9667 106.618 -27.0772 -53.6541 -58.7249 82.2056 PRESSAVG: 4370800 18.8316 0.653849 -5.08771 0.653907 -28.5513 10.2798 -5.08772 10.2797 -0.366816 GPRESSAVG: 4370800 20.9273 -0.383317 -4.09303 2.04963 -28.4667 9.19431 -3.75267 10.5986 -2.75022 TIMING: 4370800 CPU: 13133.5, 0.0029467/step Wall: 13133.5, 0.0029467/step, 0.515017 hours remaining, 209.183594 MB of memory in use. ENERGY: 4370800 738.4827 2094.1881 1936.3417 112.1800 -206110.9020 17818.1714 0.0000 0.0000 34180.9521 -149230.5859 298.5108 -183411.5381 -149138.3949 298.7988 39.0584 69.7981 558756.4647 -3.3622 -3.4299 PRESSURE: 4371000 -270.432 -3.35844 96.1216 -3.3583 -175.384 -76.9844 96.1215 -76.9879 20.7208 GPRESSURE: 4371000 -203.376 3.06692 41.1725 64.9358 -159.286 -35.0798 100.408 -60.179 22.8608 PRESSAVG: 4371000 23.3105 43.8209 12.8497 43.8209 -21.6293 -2.97811 12.8496 -2.97831 46.9925 GPRESSAVG: 4371000 22.6934 44.1693 11.024 44.2632 -22.066 -1.81461 12.0021 -2.6845 47.6681 TIMING: 4371000 CPU: 13134.1, 0.00295039/step Wall: 13134.1, 0.00295039/step, 0.515499 hours remaining, 209.183594 MB of memory in use. ENERGY: 4371000 760.9243 2039.8846 1958.8113 110.1159 -205952.9705 17579.8066 0.0000 0.0000 34171.6835 -149331.7443 298.4298 -183503.4278 -149243.4059 298.5888 -141.6983 -113.2669 557021.5784 16.2245 16.0985 PRESSURE: 4371200 72.047 -72.8756 239.411 -72.8753 -387.462 170.603 239.411 170.603 -51.0469 GPRESSURE: 4371200 97.3351 -39.9477 292.742 -128.223 -341.188 179.532 175.75 184.565 -25.1392 PRESSAVG: 4371200 24.1881 4.43286 48.9799 4.43288 -81.7543 2.37919 48.9799 2.37914 23.806 GPRESSAVG: 4371200 23.9537 5.48614 50.3416 3.53665 -82.0565 2.91408 48.9482 2.05984 24.6494 TIMING: 4371200 CPU: 13134.7, 0.0029643/step Wall: 13134.7, 0.0029643/step, 0.517765 hours remaining, 209.183594 MB of memory in use. ENERGY: 4371200 764.0966 2039.3422 1944.2055 104.3131 -206167.3138 17711.6117 0.0000 0.0000 34506.9285 -149096.8162 301.3576 -183603.7447 -148994.1093 299.6924 -122.1540 -89.6640 558158.9508 -11.2534 -11.1511 PRESSURE: 4371400 196.965 -124.378 100.979 -124.376 206.529 17.898 100.979 17.8988 -22.254 GPRESSURE: 4371400 210.128 -187.19 191.771 -60.9499 240.587 10.9928 72.731 39.0407 28.5909 PRESSAVG: 4371400 12.0657 -17.2524 10.1344 -17.2523 -35.5822 29.3571 10.1344 29.357 7.16895 GPRESSAVG: 4371400 11.7028 -18.2485 8.38669 -16.8437 -35.5954 27.2202 13.2271 30.8016 7.24587 TIMING: 4371400 CPU: 13135.3, 0.00295376/step Wall: 13135.3, 0.00295376/step, 0.515759 hours remaining, 209.183594 MB of memory in use. ENERGY: 4371400 744.4059 2117.4159 1949.3759 109.8398 -206040.7974 17860.2351 0.0000 0.0000 34080.1800 -149179.3448 297.6307 -183259.5248 -149084.7247 299.6417 127.0801 159.7687 555741.7044 -5.4492 -5.5489 PRESSURE: 4371600 299.375 -16.0295 -5.73072 -16.0299 147.952 -97.5613 -5.72967 -97.5619 -11.4506 GPRESSURE: 4371600 351.945 -90.8835 -12.5326 9.55899 124.378 -124.842 -38.1317 -96.8112 48.9885 PRESSAVG: 4371600 -18.0488 18.9155 17.54 18.9155 47.1946 21.2721 17.5401 21.2721 -13.7652 GPRESSAVG: 4371600 -17.5329 18.9485 17.2001 21.0029 48.3419 23.1876 15.7163 19.1946 -14.9857 TIMING: 4371600 CPU: 13135.9, 0.00295655/step Wall: 13135.9, 0.00295655/step, 0.516082 hours remaining, 209.183594 MB of memory in use. ENERGY: 4371600 763.4956 2063.7946 1975.8841 119.9050 -206239.5278 17745.9675 0.0000 0.0000 34321.5972 -149248.8839 299.7390 -183570.4811 -149149.8225 299.5045 145.2923 175.1038 555115.4375 5.1269 5.2744 PRESSURE: 4371800 223.292 -26.4936 -247.189 -26.4941 46.6876 50.1335 -247.189 50.1328 135.439 GPRESSURE: 4371800 240.355 13.9691 -273.141 -56.851 124.109 67.0683 -173.577 39.7485 134.455 PRESSAVG: 4371800 45.2068 34.5998 42.7638 34.5998 -52.0139 17.707 42.7637 17.707 -24.9581 GPRESSAVG: 4371800 45.0278 34.08 41.5916 33.0937 -52.3446 17.0793 43.8324 19.6482 -24.5022 TIMING: 4371800 CPU: 13136.5, 0.00296187/step Wall: 13136.5, 0.00296187/step, 0.516846 hours remaining, 209.183594 MB of memory in use. ENERGY: 4371800 766.6166 2092.4229 1951.2753 118.6575 -206699.6766 18054.3012 0.0000 0.0000 34510.9913 -149205.4119 301.3931 -183716.4032 -149113.3777 299.4292 135.1394 166.3065 555950.3233 -10.5884 -10.6063 PRESSURE: 4372000 203.889 -60.2374 76.7374 -60.2366 135.227 -106.992 76.7381 -106.994 328.163 GPRESSURE: 4372000 257.576 -84.3002 -49.1806 -62.4413 179.435 -86.8307 185.762 -98.2071 342.818 PRESSAVG: 4372000 5.64204 -0.0429109 -14.6952 -0.0429227 -32.1669 -1.09951 -14.6951 -1.09964 2.42935 GPRESSAVG: 4372000 6.85486 2.3038 -10.9411 0.0697561 -33.0847 -1.62332 -17.378 -2.38418 2.08729 TIMING: 4372000 CPU: 13137.1, 0.00295553/step Wall: 13137.1, 0.00295553/step, 0.515575 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: 4372000 761.6774 2090.0731 1924.1905 131.0937 -206797.4394 18348.9508 0.0000 0.0000 34427.0611 -149114.3929 300.6601 -183541.4540 -149020.6215 299.1097 222.4264 259.9428 557173.9700 -8.0319 -8.0475 PRESSURE: 4372200 101.752 46.0575 -48.4545 46.0557 -14.093 -5.37912 -48.454 -5.37849 -105.96 GPRESSURE: 4372200 113.757 -25.694 -47.1676 24.6055 63.4101 -32.8731 -80.6093 67.0231 -99.1591 PRESSAVG: 4372200 11.8952 46.9805 -30.3863 46.9805 49.392 16.1158 -30.3862 16.1158 -62.7406 GPRESSAVG: 4372200 11.4106 46.3866 -35.1556 47.2255 50.4312 15.9254 -27.8589 15.1657 -63.132 TIMING: 4372200 CPU: 13137.7, 0.00293028/step Wall: 13137.7, 0.00293028/step, 0.511008 hours remaining, 209.183594 MB of memory in use. ENERGY: 4372200 734.7495 2062.3901 1953.7902 111.7024 -206145.7329 17729.1909 0.0000 0.0000 34360.1963 -149193.7135 300.0761 -183553.9098 -149092.8846 300.3705 -6.1001 26.0026 557949.1752 -0.4845 -0.4301 LDB: ============= START OF LOAD BALANCING ============== 13141.2 LDB: ============== END OF LOAD BALANCING =============== 13141.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13141.2 LDB: ============= START OF LOAD BALANCING ============== 13141.5 LDB: Largest compute 4773 load 0.027470 is 23.2% of average load 0.118151 LDB: Average compute 0.001740 is 1.5% of average load 0.118151 LDB: TIME 13141.5 LOAD: AVG 0.118151 MAX 0.205568 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.492 MB LDB: TIME 13141.5 LOAD: AVG 0.118151 MAX 0.205568 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.492 MB LDB: TIME 13141.5 LOAD: AVG 0.118151 MAX 0.205568 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.492 MB LDB: ============== END OF LOAD BALANCING =============== 13141.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13141.5 PRESSURE: 4372400 107.35 101.161 -157.595 101.16 -35.1425 306.123 -157.597 306.121 1.27914 GPRESSURE: 4372400 158.432 54.8816 -143.489 190.62 -9.58773 270.096 -231.866 272.553 12.9726 PRESSAVG: 4372400 30.7634 57.2026 21.338 57.2025 18.7441 19.5226 21.3381 19.5226 -42.5924 GPRESSAVG: 4372400 30.7749 55.5341 23.0925 57.8364 18.2389 20.1873 20.8076 18.5682 -42.5593 TIMING: 4372400 CPU: 13138.3, 0.00299882/step Wall: 13138.3, 0.00299882/step, 0.522794 hours remaining, 209.488281 MB of memory in use. ENERGY: 4372400 736.4216 2061.7603 1948.5131 111.7130 -205974.2922 17757.9452 0.0000 0.0000 34201.1381 -149156.8010 298.6870 -183357.9391 -149068.4343 299.5643 24.4955 53.9389 558165.1887 2.3050 2.1515 PRESSURE: 4372600 -58.0304 -51.5473 97.6953 -51.5479 -59.8981 -88.8059 97.6942 -88.8041 -129.777 GPRESSURE: 4372600 40.6172 19.8038 111.747 -51.6642 -22.9571 39.4573 58.3298 -150.282 -175.578 PRESSAVG: 4372600 0.213073 18.8422 4.78122 18.8423 26.6967 0.951329 4.78124 0.951303 -63.8607 GPRESSAVG: 4372600 -0.111862 20.435 5.76298 18.8031 27.163 1.16543 2.20693 2.81819 -63.9086 TIMING: 4372600 CPU: 13138.9, 0.00296414/step Wall: 13138.9, 0.00296414/step, 0.516583 hours remaining, 209.949219 MB of memory in use. ENERGY: 4372600 695.1397 2103.1084 1965.3759 115.4090 -206235.6578 17796.4495 0.0000 0.0000 34279.9357 -149280.2397 299.3752 -183560.1754 -149178.5381 299.1730 -82.5685 -52.6392 558004.2418 -12.3170 -12.2858 PRESSURE: 4372800 -137.173 25.4769 -131.27 25.4765 44.9018 -16.6684 -131.269 -16.6667 -17.1508 GPRESSURE: 4372800 -138.097 10.3461 -63.3079 16.8081 88.5385 -19.6123 -222.962 -48.7974 30.2902 PRESSAVG: 4372800 -5.16998 6.49597 -5.06725 6.49601 89.8276 -7.69319 -5.06744 -7.69335 -74.5301 GPRESSAVG: 4372800 -5.9147 5.69378 -5.43069 5.02757 89.1131 -8.16248 -4.01572 -8.40561 -73.174 TIMING: 4372800 CPU: 13139.4, 0.00294815/step Wall: 13139.4, 0.00294815/step, 0.513634 hours remaining, 209.949219 MB of memory in use. ENERGY: 4372800 725.5199 2058.3529 1953.9874 120.1728 -206241.3736 17810.8097 0.0000 0.0000 34123.1290 -149449.4019 298.0058 -183572.5309 -149353.5141 299.3734 -36.4740 -6.4229 558958.7457 3.3758 3.3415 PRESSURE: 4373000 -346.999 -174.891 94.9272 -174.893 39.4331 27.4888 94.9278 27.4881 251.089 GPRESSURE: 4373000 -325.453 -148.373 158.44 -163.084 54.0785 35.7663 14.5253 69.3359 310.113 PRESSAVG: 4373000 -51.5574 30.2151 -1.21457 30.2152 70.6123 6.29046 -1.21463 6.2905 -26.1806 GPRESSAVG: 4373000 -51.7269 29.4066 -0.878724 33.3588 70.4551 6.38233 -0.0346466 6.95457 -25.5493 TIMING: 4373000 CPU: 13140, 0.00294237/step Wall: 13140, 0.00294237/step, 0.512462 hours remaining, 209.949219 MB of memory in use. ENERGY: 4373000 710.0852 2100.8908 1950.7983 121.7907 -206407.2974 17873.6646 0.0000 0.0000 34064.1098 -149585.9582 297.4903 -183650.0679 -149499.6305 298.5354 -18.8258 12.9130 557198.7363 -2.3752 -2.2737 PRESSURE: 4373200 53.485 25.6478 133.363 25.6484 119.664 -68.3625 133.363 -68.3617 -114.526 GPRESSURE: 4373200 111.675 39.5275 185.405 -41.8673 105.169 -88.4957 113.101 -110.752 -69.5035 PRESSAVG: 4373200 -81.5498 -22.1729 38.8446 -22.1728 23.9117 26.0849 38.8447 26.085 65.6187 GPRESSAVG: 4373200 -80.3292 -21.1958 38.0289 -24.9828 23.7362 24.1696 38.1097 26.0763 64.3304 TIMING: 4373200 CPU: 13140.6, 0.00292269/step Wall: 13140.6, 0.00292269/step, 0.508873 hours remaining, 209.949219 MB of memory in use. ENERGY: 4373200 726.2072 2073.7291 1972.8340 117.5459 -206731.1940 18000.8716 0.0000 0.0000 34356.6103 -149483.3960 300.0448 -183840.0063 -149389.8640 298.3925 19.5410 49.1132 556179.3592 2.6602 2.5791 PRESSURE: 4373400 -418.556 -101.336 22.2485 -101.338 -284.434 149.224 22.2488 149.224 -45.8179 GPRESSURE: 4373400 -401.493 -155.362 24.8284 -66.5875 -262.649 80.4558 -43.6308 190.859 -0.982359 PRESSAVG: 4373400 -5.79666 -2.93546 38.5641 -2.9355 -37.1429 17.4891 38.5642 17.4891 40.7468 GPRESSAVG: 4373400 -5.85217 -1.85814 39.3415 -2.17069 -38.0128 19.6519 37.7224 16.9552 42.0488 TIMING: 4373400 CPU: 13141.2, 0.00293939/step Wall: 13141.2, 0.00293939/step, 0.511617 hours remaining, 210.007812 MB of memory in use. ENERGY: 4373400 731.4646 2054.4667 1955.0708 109.5454 -205985.1704 17416.8550 0.0000 0.0000 34357.2248 -149360.5431 300.0502 -183717.7679 -149268.6982 299.0554 -249.6024 -221.7080 559108.9363 -0.7309 -0.6054 PRESSURE: 4373600 210.549 -59.3249 -67.8574 -59.3248 -8.90229 -30.2274 -67.8581 -30.2272 175.775 GPRESSURE: 4373600 231.273 -52.2804 -169.838 -76.0175 48.3142 -118.534 27.2128 47.0687 187.104 PRESSAVG: 4373600 -28.0756 -21.469 -0.572224 -21.4691 -16.6213 -5.63871 -0.572144 -5.63874 57.5709 GPRESSAVG: 4373600 -27.9352 -22.2746 -1.80837 -21.5734 -16.9912 -6.0417 2.29463 -6.13689 57.6204 TIMING: 4373600 CPU: 13141.8, 0.00293347/step Wall: 13141.8, 0.00293347/step, 0.510423 hours remaining, 210.007812 MB of memory in use. ENERGY: 4373600 757.6806 2056.3965 1960.7972 114.6413 -206286.0729 17908.3050 0.0000 0.0000 34151.3277 -149336.9246 298.2520 -183488.2523 -149247.3765 298.9752 125.8073 155.5635 557089.9646 4.2913 4.2313 PRESSURE: 4373800 103.672 149.961 182.265 149.962 32.4864 12.5877 182.266 12.5877 391.815 GPRESSURE: 4373800 196.862 36.769 201.628 181.445 55.1384 -25.5575 180.694 49.009 374.693 PRESSAVG: 4373800 -29.9907 -14.4143 15.4942 -14.4142 4.65518 13.7327 15.4941 13.7326 14.1339 GPRESSAVG: 4373800 -30.1941 -12.4977 17.714 -15.2031 5.87516 12.4327 13.7208 13.8154 13.7215 TIMING: 4373800 CPU: 13142.4, 0.00292485/step Wall: 13142.4, 0.00292485/step, 0.508762 hours remaining, 210.019531 MB of memory in use. ENERGY: 4373800 719.1301 2108.0166 1992.9822 118.6223 -206525.0456 18158.3259 0.0000 0.0000 34139.0654 -149288.9031 298.1449 -183427.9685 -149194.1612 299.0406 175.9909 208.8981 557213.8525 -3.7339 -3.5325 PRESSURE: 4374000 -415.086 5.32978 -288.101 5.33032 -386.604 82.9187 -288.102 82.9185 -168.413 GPRESSURE: 4374000 -379.951 44.4325 -184.626 22.1166 -327.965 98.6815 -292.658 114.624 -151.645 PRESSAVG: 4374000 -34.4403 -57.0837 2.47567 -57.0836 -76.6388 -29.8617 2.4756 -29.8617 115.401 GPRESSAVG: 4374000 -34.4356 -58.6885 2.44865 -56.7181 -75.9505 -28.443 0.480039 -27.3396 114.935 TIMING: 4374000 CPU: 13143, 0.00292348/step Wall: 13143, 0.00292348/step, 0.508361 hours remaining, 210.019531 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: 4374000 767.1869 2082.1098 2001.3093 123.5951 -205790.6852 17398.0802 0.0000 0.0000 34331.5963 -149086.8077 299.8264 -183418.4040 -148985.0833 299.0235 -323.3676 -286.5202 558216.7094 1.4408 1.5163 PRESSURE: 4374200 -125.619 -67.5779 253.201 -67.5775 -19.5821 -73.8116 253.201 -73.8126 -125.526 GPRESSURE: 4374200 -36.6049 -56.4405 301.877 -29.3575 -38.3777 -58.7437 84.2277 -60.6358 -106.256 PRESSAVG: 4374200 -12.1145 -4.05497 15.8036 -4.055 -61.8078 -45.2106 15.8036 -45.2108 84.5387 GPRESSAVG: 4374200 -11.4751 -2.8893 14.862 -4.55797 -62.8379 -44.667 16.6825 -47.3594 84.8817 TIMING: 4374200 CPU: 13143.5, 0.00292351/step Wall: 13143.5, 0.00292351/step, 0.508204 hours remaining, 210.019531 MB of memory in use. ENERGY: 4374200 718.8162 2113.6786 1956.1808 97.4590 -205948.9114 17498.5526 0.0000 0.0000 34420.9901 -149143.2342 300.6071 -183564.2242 -149031.8183 299.0964 -90.2424 -60.4127 558904.1184 3.5388 3.5229 PRESSURE: 4374400 -146.918 95.5084 -55.2171 95.5084 95.9519 17.1162 -55.2182 17.1162 61.6862 GPRESSURE: 4374400 -72.1816 0.355694 -167.174 124.31 108.511 59.6538 16.9961 39.5007 82.6646 PRESSAVG: 4374400 -16.0095 -11.7685 25.76 -11.7686 -23.8019 -8.72512 25.76 -8.72503 15.4515 GPRESSAVG: 4374400 -15.1685 -12.9225 24.8929 -11.2352 -24.716 -9.23176 26.761 -7.53571 15.1933 TIMING: 4374400 CPU: 13144.1, 0.00295143/step Wall: 13144.1, 0.00295143/step, 0.512893 hours remaining, 210.019531 MB of memory in use. ENERGY: 4374400 724.1672 2062.7187 1968.4222 107.6848 -206124.1343 17844.8594 0.0000 0.0000 34332.9043 -149083.3777 299.8378 -183416.2820 -148988.1950 299.6638 3.5734 39.6648 559533.4712 -8.1200 -8.2304 PRESSURE: 4374600 -187.109 32.8261 -41.3715 32.8252 -250.833 -41.4431 -41.3723 -41.443 63.1944 GPRESSURE: 4374600 -179.192 43.4313 -18.8808 13.7109 -239.893 -89.0953 -65.0756 -137.578 148.777 PRESSAVG: 4374600 -39.8361 -0.561308 -6.51835 -0.561333 -42.9693 50.9833 -6.5185 50.9832 54.1825 GPRESSAVG: 4374600 -41.1123 0.0647402 -4.21053 -1.36831 -40.344 50.5105 -8.9459 50.7368 53.2448 TIMING: 4374600 CPU: 13144.7, 0.00296022/step Wall: 13144.7, 0.00296022/step, 0.514256 hours remaining, 210.019531 MB of memory in use. ENERGY: 4374600 717.8562 2111.3738 1955.0907 99.9575 -206004.9689 17516.9151 0.0000 0.0000 34526.5851 -149077.1904 301.5293 -183603.7755 -148973.7548 299.5501 -124.9158 -90.1027 558156.5260 -9.5410 -9.4038 PRESSURE: 4374800 -9.01526 34.5795 -12.8463 34.5801 -370.558 56.1134 -12.8471 56.1126 -0.549058 GPRESSURE: 4374800 17.1483 97.6398 7.15909 -47.2113 -312.283 88.9747 3.37761 54.3666 21.6835 PRESSAVG: 4374800 37.2489 19.3077 -6.29617 19.3076 -51.2193 24.0318 -6.29623 24.0319 46.4175 GPRESSAVG: 4374800 36.0207 19.39 -6.22761 20.5053 -51.861 24.5005 -7.10597 23.2767 47.9746 TIMING: 4374800 CPU: 13145.3, 0.00296289/step Wall: 13145.3, 0.00296289/step, 0.514556 hours remaining, 210.019531 MB of memory in use. ENERGY: 4374800 756.4845 2083.0399 1938.3304 114.0817 -205925.9826 17718.5950 0.0000 0.0000 34296.5480 -149018.9030 299.5203 -183315.4510 -148924.5616 299.2663 -126.7075 -91.1504 558991.8822 10.8157 10.7114 PRESSURE: 4375000 126.819 -87.714 54.1555 -87.7128 87.5002 107.279 54.1558 107.279 -103.736 GPRESSURE: 4375000 206.95 -45.0321 -14.4759 -166.107 75.0177 182.819 146.804 96.4956 -85.0682 PRESSAVG: 4375000 42.7884 33.7746 22.42 33.7746 -69.0549 44.175 22.4199 44.175 -0.599402 GPRESSAVG: 4375000 44.1124 34.1358 18.9142 33.5102 -70.6961 43.8463 27.4719 45.1395 -0.470979 TIMING: 4375000 CPU: 13145.9, 0.00293696/step Wall: 13145.9, 0.00293696/step, 0.509889 hours remaining, 210.019531 MB of memory in use. ENERGY: 4375000 706.7226 2071.2198 1914.0245 112.2903 -206222.9122 17938.5547 0.0000 0.0000 34365.1505 -149114.9498 300.1194 -183480.1003 -149013.3001 299.5655 36.8608 65.6330 557601.3535 -8.9553 -9.0182 PRESSURE: 4375200 -114.209 0.737591 21.4983 0.736505 -11.59 65.8684 21.4994 65.867 -107.946 GPRESSURE: 4375200 -63.2804 -82.5888 65.8051 11.312 -60.3684 91.0115 12.5512 49.7462 -12.2222 PRESSAVG: 4375200 2.41122 -12.8521 -58.2338 -12.8521 26.0111 -5.2734 -58.2337 -5.27334 -35.7992 GPRESSAVG: 4375200 3.55518 -14.7871 -56.9601 -13.0869 26.2258 -6.30883 -58.4676 -5.50933 -36.6365 TIMING: 4375200 CPU: 13146.5, 0.00292475/step Wall: 13146.5, 0.00292475/step, 0.507606 hours remaining, 210.019531 MB of memory in use. ENERGY: 4375200 750.0518 2085.8020 1913.0422 101.7977 -205680.0495 17658.2488 0.0000 0.0000 34099.8802 -149071.2269 297.8027 -183171.1070 -148975.8275 299.3577 -77.9151 -45.2903 558189.0569 -2.4589 -2.2852 PRESSURE: 4375400 -34.0321 -10.8424 -81.6304 -10.8416 -7.37808 -131.08 -81.6314 -131.08 94.3902 GPRESSURE: 4375400 18.6086 42.2255 -11.0904 -55.8225 28.5034 -98.9027 -117.874 -107.28 108.416 PRESSAVG: 4375400 -44.3026 -31.9789 -6.10178 -31.9789 -24.4063 -58.6634 -6.10183 -58.6634 68.2272 GPRESSAVG: 4375400 -45.1647 -30.8305 -5.06305 -32.2388 -23.2601 -56.8785 -9.22415 -60.4243 67.7384 TIMING: 4375400 CPU: 13147.1, 0.0029461/step Wall: 13147.1, 0.0029461/step, 0.511149 hours remaining, 210.019531 MB of memory in use. ENERGY: 4375400 728.7995 2003.0127 1929.2153 110.0725 -206083.6540 17872.8015 0.0000 0.0000 34422.6408 -149017.1117 300.6215 -183439.7525 -148921.6592 299.1412 17.6600 51.8427 557457.2925 -0.1606 -0.2288 PRESSURE: 4375600 -147.85 -68.5386 -81.4382 -68.5369 146.018 -121.126 -81.4376 -121.126 70.3309 GPRESSURE: 4375600 -144.372 47.5616 -52.2723 -135.172 180.168 56.4667 -108.428 -129.084 123.565 PRESSAVG: 4375600 -57.7412 -1.91513 -9.1139 -1.91512 0.218431 10.8946 -9.11386 10.8946 79.7554 GPRESSAVG: 4375600 -57.1191 -3.80942 -9.69486 -0.848943 -0.286874 10.7737 -9.15545 12.465 79.6517 TIMING: 4375600 CPU: 13147.7, 0.00296687/step Wall: 13147.7, 0.00296687/step, 0.514587 hours remaining, 210.019531 MB of memory in use. ENERGY: 4375600 741.4951 2084.4851 1942.9172 120.1337 -205893.7724 17791.6803 0.0000 0.0000 34284.6721 -148928.3889 299.4166 -183213.0610 -148836.5271 299.7858 22.8329 53.1202 559371.7202 7.4109 7.4152 PRESSURE: 4375800 153.988 4.00217 -213.578 4.00088 -91.3851 53.4308 -213.577 53.4315 144.668 GPRESSURE: 4375800 216.94 -47.4125 -114.943 94.6615 -59.7299 41.7874 -284.512 77.7823 144.13 PRESSAVG: 4375800 10.9003 -76.5254 -6.22907 -76.5254 -31.2712 -24.1259 -6.2291 -24.1257 62.5388 GPRESSAVG: 4375800 10.5889 -75.6948 -6.07271 -77.0585 -31.7595 -22.7923 -4.47249 -24.9195 63.0946 TIMING: 4375800 CPU: 13148.3, 0.00300897/step Wall: 13148.3, 0.00300897/step, 0.521721 hours remaining, 210.019531 MB of memory in use. ENERGY: 4375800 731.1368 2044.3155 1959.2336 104.4711 -205894.3360 17766.4044 0.0000 0.0000 34196.0016 -149092.7731 298.6422 -183288.7747 -148995.5925 299.5217 69.0901 100.4465 557273.6802 14.0560 13.9747 PRESSURE: 4376000 134.306 -56.1947 86.1954 -56.1954 -161.641 -25.407 86.1962 -25.4077 -90.9115 GPRESSURE: 4376000 138.654 -24.1512 156.513 -162.362 -95.3857 -28.7834 13.9077 -61.6093 -59.8689 PRESSAVG: 4376000 5.05592 -39.2615 0.36194 -39.2614 29.6588 -33.3408 0.361822 -33.3407 -32.0638 GPRESSAVG: 4376000 5.40236 -40.9602 1.94644 -37.8977 30.6598 -33.6365 -0.0575228 -33.4922 -33.2199 TIMING: 4376000 CPU: 13148.9, 0.00302021/step Wall: 13148.9, 0.00302021/step, 0.523503 hours remaining, 210.019531 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: 4376000 763.3231 2074.3792 1929.1937 108.0661 -205838.3397 17737.7785 0.0000 0.0000 34207.9706 -149017.6284 298.7467 -183225.5990 -148916.3661 299.9937 -39.4156 -5.5336 558440.3813 0.8836 0.9474 PRESSURE: 4376200 -97.6177 -111.848 150.172 -111.848 -59.5328 171.208 150.172 171.208 41.007 GPRESSURE: 4376200 -68.9147 -41.8528 63.1342 -150.898 1.6371 179.52 301.303 90.3639 43.6642 PRESSAVG: 4376200 -8.56759 -9.955 -2.76224 -9.95502 -66.1137 27.5802 -2.76229 27.5801 37.5423 GPRESSAVG: 4376200 -8.17348 -7.63385 -4.19555 -10.8546 -68.5641 28.0423 -1.27136 29.2708 39.1781 TIMING: 4376200 CPU: 13149.5, 0.00299728/step Wall: 13149.5, 0.00299728/step, 0.519363 hours remaining, 210.019531 MB of memory in use. ENERGY: 4376200 771.6697 2055.7152 1941.6700 106.8291 -205804.6195 17884.5211 0.0000 0.0000 34074.9186 -148969.2958 297.5847 -183044.2144 -148875.6948 299.6181 -38.7145 -7.8711 558806.2920 -12.3797 -12.5198 LDB: ============= START OF LOAD BALANCING ============== 13153 LDB: ============== END OF LOAD BALANCING =============== 13153 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13153 LDB: ============= START OF LOAD BALANCING ============== 13153.3 LDB: Largest compute 4773 load 0.027887 is 23.6% of average load 0.118179 LDB: Average compute 0.001731 is 1.5% of average load 0.118179 LDB: TIME 13153.3 LOAD: AVG 0.118179 MAX 0.205603 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.234 MB LDB: TIME 13153.3 LOAD: AVG 0.118179 MAX 0.205603 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.238 MB LDB: TIME 13153.3 LOAD: AVG 0.118179 MAX 0.205603 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.238 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13153.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13153.3 PRESSURE: 4376400 -286.454 32.3228 10.658 32.3236 -246.123 161.393 10.6579 161.393 55.0791 GPRESSURE: 4376400 -244.725 47.5201 88.4428 -4.84423 -219.218 237.008 -3.69046 133.404 92.4775 PRESSAVG: 4376400 35.35 -59.0649 8.43112 -59.0648 -44.0075 42.6165 8.43113 42.6163 12.405 GPRESSAVG: 4376400 34.8919 -59.0701 9.05711 -61.0524 -42.196 40.9643 7.38339 42.4238 11.0554 TIMING: 4376400 CPU: 13150.1, 0.00304792/step Wall: 13150.1, 0.00304792/step, 0.527967 hours remaining, 209.746094 MB of memory in use. ENERGY: 4376400 771.7279 2106.1906 1941.1248 107.8300 -205853.7228 17589.1430 0.0000 0.0000 34338.2121 -148999.4944 299.8841 -183337.7065 -148898.6434 299.9502 -159.1659 -123.8219 558424.0169 1.2492 1.2504 PRESSURE: 4376600 -30.4872 44.5527 -60.7273 44.5516 -158.756 4.16739 -60.7271 4.16699 155.013 GPRESSURE: 4376600 -44.2989 34.5337 1.49893 1.6953 -95.681 -64.4016 -75.7148 66.0755 207.649 PRESSAVG: 4376600 -41.306 -17.1951 -8.14471 -17.1951 -67.2656 58.9847 -8.14476 58.9848 42.3685 GPRESSAVG: 4376600 -41.5142 -18.0442 -9.44037 -16.6438 -67.47 57.729 -5.78436 59.8096 43.1209 TIMING: 4376600 CPU: 13150.7, 0.00297429/step Wall: 13150.7, 0.00297429/step, 0.515048 hours remaining, 209.988281 MB of memory in use. ENERGY: 4376600 788.0221 2068.7340 1946.1925 105.1631 -206126.3159 17916.6127 0.0000 0.0000 34146.9501 -149154.6414 298.2138 -183301.5915 -149058.0366 299.7160 -11.4101 22.5562 558767.5306 -22.0677 -21.9544 PRESSURE: 4376800 -36.6928 96.3268 24.0938 96.3276 -35.3897 8.04307 24.093 8.04441 -182.528 GPRESSURE: 4376800 -10.8171 91.9739 80.9999 70.4835 -7.47229 -69.4743 13.8325 115.29 -138.198 PRESSAVG: 4376800 18.5431 -32.455 22.6213 -32.455 -12.828 7.25006 22.6213 7.25009 5.08302 GPRESSAVG: 4376800 18.9857 -32.4857 23.5158 -31.0778 -12.7958 9.02469 20.211 6.02497 4.52579 TIMING: 4376800 CPU: 13151.3, 0.0029642/step Wall: 13151.3, 0.0029642/step, 0.513135 hours remaining, 210.046875 MB of memory in use. ENERGY: 4376800 759.1060 2027.5816 1919.1450 92.7280 -205608.4372 17598.5352 0.0000 0.0000 34127.8771 -149083.4644 298.0472 -183211.3414 -148988.1008 299.2016 -84.8702 -52.1626 557895.5143 3.5994 3.5719 PRESSURE: 4377000 104.579 96.0764 -56.7943 96.0761 -1.19496 -60.9956 -56.7952 -60.9958 173.434 GPRESSURE: 4377000 145.699 125.333 -157.769 12.3174 79.8506 -4.93273 -34.0406 -127.546 153.363 PRESSAVG: 4377000 50.3005 33.7122 -15.8093 33.7122 -4.64731 2.34893 -15.8093 2.34885 -32.0327 GPRESSAVG: 4377000 49.8149 33.6769 -18.3589 34.4515 -3.75791 3.643 -13.1728 1.5743 -32.0969 TIMING: 4377000 CPU: 13151.9, 0.00298732/step Wall: 13151.9, 0.00298732/step, 0.516973 hours remaining, 210.046875 MB of memory in use. ENERGY: 4377000 749.3862 2049.1968 1916.9251 114.1479 -206072.2061 17825.9426 0.0000 0.0000 34294.7806 -149121.8269 299.5048 -183416.6075 -149030.0884 299.2593 92.2728 126.3040 557403.2525 4.5402 4.6534 PRESSURE: 4377200 125.898 13.6158 238.597 13.6162 -124.444 -112.936 238.596 -112.934 169.664 GPRESSURE: 4377200 200.159 33.6586 321.737 -31.5321 -129.101 2.86345 190.975 -58.4498 199.31 PRESSAVG: 4377200 -9.53494 23.32 31.38 23.3202 -31.3609 -10.3394 31.38 -10.3396 2.66401 GPRESSAVG: 4377200 -9.04925 24.9001 33.0353 20.2845 -32.3407 -13.4819 30.2865 -8.56192 3.33853 TIMING: 4377200 CPU: 13152.5, 0.00299008/step Wall: 13152.5, 0.00299008/step, 0.517284 hours remaining, 210.046875 MB of memory in use. ENERGY: 4377200 736.1160 2061.0176 1950.8765 117.9500 -205720.8605 17689.7934 0.0000 0.0000 34206.4311 -148958.6759 298.7333 -183165.1070 -148870.3585 299.8123 57.0391 90.1227 557244.3513 -12.7440 -12.6838 PRESSURE: 4377400 208.015 -63.9985 -119.14 -63.9991 -234.139 217.213 -119.139 217.213 130.783 GPRESSURE: 4377400 218.915 -170.146 -71.4395 -42.6457 -169.293 220.19 -165.677 245.895 150.1 PRESSAVG: 4377400 50.8699 18.6323 -12.7155 18.6322 -57.2136 20.6396 -12.7155 20.6397 -11.5594 GPRESSAVG: 4377400 48.8854 17.9578 -10.7687 19.7463 -55.1884 23.685 -13.1341 18.9152 -10.9588 TIMING: 4377400 CPU: 13153.1, 0.00296606/step Wall: 13153.1, 0.00296606/step, 0.512964 hours remaining, 210.046875 MB of memory in use. ENERGY: 4377400 724.0573 2105.0098 1922.3594 103.8270 -206149.0154 17774.3382 0.0000 0.0000 34444.1431 -149075.2806 300.8093 -183519.4237 -148978.6447 300.0844 34.8865 66.5738 557129.1191 -5.9677 -5.7539 PRESSURE: 4377600 71.3084 -88.6875 -19.4516 -88.6886 132.191 -124.624 -19.4514 -124.623 29.7086 GPRESSURE: 4377600 133.483 -73.4605 -27.6795 -71.6842 163.918 -104.876 -102.051 -115.337 38.4076 PRESSAVG: 4377600 45.4972 35.1791 -65.9726 35.1791 -18.8765 -1.96865 -65.9727 -1.96858 9.14267 GPRESSAVG: 4377600 47.8347 33.6544 -67.8199 36.6986 -21.1671 -5.42681 -65.8442 0.0862722 8.8873 TIMING: 4377600 CPU: 13153.7, 0.00296517/step Wall: 13153.7, 0.00296517/step, 0.512645 hours remaining, 210.046875 MB of memory in use. ENERGY: 4377600 736.6385 2051.3760 1926.4959 111.3075 -205914.0131 17765.0770 0.0000 0.0000 34243.4909 -149079.6273 299.0569 -183323.1182 -148980.3715 299.2462 77.7361 111.9362 556370.9952 11.9211 11.8516 PRESSURE: 4377800 -278.258 77.2077 45.9064 77.2083 -92.8766 -41.1585 45.9052 -41.1587 -6.75663 GPRESSURE: 4377800 -214.108 30.4834 97.0772 131.291 -78.6272 -76.4459 47.933 -20.6351 17.7005 PRESSAVG: 4377800 -1.37826 4.67964 -5.96472 4.67965 -36.5643 43.3255 -5.96469 43.3256 -7.48352 GPRESSAVG: 4377800 -0.890884 5.69504 -5.32484 3.60608 -36.1872 45.0235 -7.76527 41.6219 -8.28887 TIMING: 4377800 CPU: 13154.3, 0.00298026/step Wall: 13154.3, 0.00298026/step, 0.515088 hours remaining, 210.046875 MB of memory in use. ENERGY: 4377800 739.1997 2064.8972 1929.7691 107.7909 -205683.6896 17541.7281 0.0000 0.0000 34353.5717 -148946.7330 300.0183 -183300.3047 -148856.0720 299.7139 -125.9639 -91.6784 559449.9030 -15.1420 -15.1223 PRESSURE: 4378000 -30.7905 -15.2126 -63.5755 -15.2123 -17.169 114.486 -63.5755 114.485 -211.095 GPRESSURE: 4378000 -63.898 -54.5099 -128.597 42.1737 55.5079 101.998 19.5482 150.955 -147.491 PRESSAVG: 4378000 -43.7519 -54.6795 25.4494 -54.6794 32.3342 -66.0213 25.4494 -66.0213 3.4211 GPRESSAVG: 4378000 -45.2484 -54.9627 24.9514 -53.9936 33.117 -65.821 26.8845 -65.9521 3.93788 TIMING: 4378000 CPU: 13154.9, 0.00301165/step Wall: 13154.9, 0.00301165/step, 0.520346 hours remaining, 210.046875 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: 4378000 736.3429 2073.3807 1919.8419 113.9122 -205714.5291 17715.1324 0.0000 0.0000 34176.2636 -148979.6554 298.4698 -183155.9191 -148875.7879 300.1081 -86.3516 -51.9605 559760.0677 -2.6655 -2.7312 PRESSURE: 4378200 -148.904 55.3866 -37.9571 55.3858 -133.307 -37.5104 -37.9581 -37.5092 -251.972 GPRESSURE: 4378200 -96.6164 30.4123 -67.0708 72.8697 -135.359 -63.324 16.7607 22.9824 -195.247 PRESSAVG: 4378200 21.8197 -25.0627 -30.2335 -25.0627 -7.59466 11.8755 -30.2336 11.8755 -13.3006 GPRESSAVG: 4378200 21.1299 -25.8533 -31.0478 -26.1356 -7.21366 11.5032 -31.5562 11.6882 -12.9494 TIMING: 4378200 CPU: 13155.5, 0.00296421/step Wall: 13155.5, 0.00296421/step, 0.511984 hours remaining, 210.046875 MB of memory in use. ENERGY: 4378200 739.0414 2067.6337 1916.4601 117.4564 -205735.9675 17561.3056 0.0000 0.0000 34484.4940 -148849.5764 301.1617 -183334.0704 -148761.9415 299.6768 -178.0611 -142.4077 559701.3173 0.3081 0.3223 PRESSURE: 4378400 -241.79 -34.9468 -28.8837 -34.9479 -62.135 -57.949 -28.8843 -57.9501 -55.8236 GPRESSURE: 4378400 -181.424 -141.97 21.6717 16.7452 -41.0624 -155.954 -36.0535 -14.1529 -35.9655 PRESSAVG: 4378400 66.8568 -13.0687 20.9455 -13.0687 -44.3572 -2.28539 20.9455 -2.28536 13.8732 GPRESSAVG: 4378400 67.2294 -11.0602 20.0702 -14.289 -46.3191 0.54954 23.7542 -2.87585 15.6602 TIMING: 4378400 CPU: 13156, 0.00297744/step Wall: 13156, 0.00297744/step, 0.514104 hours remaining, 210.046875 MB of memory in use. ENERGY: 4378400 716.3011 2053.8866 1952.3664 103.9017 -205467.3417 17428.1126 0.0000 0.0000 34300.7500 -148912.0234 299.5570 -183212.7734 -148820.6095 299.6824 -119.9162 -86.1505 559068.2905 12.1243 12.1901 PRESSURE: 4378600 136.698 112.811 -11.3451 112.811 -93.1729 145.282 -11.3464 145.282 -16.2864 GPRESSURE: 4378600 208.059 147.691 23.756 145.079 -81.2059 122.151 -46.976 104.089 -3.83017 PRESSAVG: 4378600 18.9716 18.7404 121.606 18.7403 -72.4183 -21.7567 121.606 -21.7566 64.2054 GPRESSAVG: 4378600 19.6288 18.7079 121.068 19.4877 -71.5237 -22.5929 121.47 -21.5688 61.97 TIMING: 4378600 CPU: 13156.6, 0.002986/step Wall: 13156.6, 0.002986/step, 0.515418 hours remaining, 210.046875 MB of memory in use. ENERGY: 4378600 724.3337 2122.2038 1917.0653 115.4836 -205961.8387 17660.2681 0.0000 0.0000 34380.5440 -149041.9400 300.2538 -183422.4840 -148945.5032 299.9445 9.0794 41.0078 557977.6285 3.5862 3.3584 PRESSURE: 4378800 -152.064 -50.8115 135.208 -50.8123 -41.7428 151.498 135.208 151.499 -376.56 GPRESSURE: 4378800 -116.73 15.3705 153.462 -113.664 -30.6495 176.934 139.437 217.27 -321.115 PRESSAVG: 4378800 6.47615 85.4637 80.5229 85.4636 8.86566 27.878 80.5229 27.878 0.254482 GPRESSAVG: 4378800 5.63472 86.3768 80.587 84.6651 8.44531 24.9845 82.7056 29.8108 0.973625 TIMING: 4378800 CPU: 13157.2, 0.003016/step Wall: 13157.2, 0.003016/step, 0.520427 hours remaining, 210.046875 MB of memory in use. ENERGY: 4378800 735.5355 2090.0858 1915.0750 110.9724 -205696.4470 17489.0762 0.0000 0.0000 34387.8723 -148967.8299 300.3178 -183355.7022 -148869.5274 300.1402 -190.1223 -156.1647 557551.6988 5.1988 5.0179 PRESSURE: 4379000 6.38613 -44.2443 -21.6644 -44.246 133.353 -3.10473 -21.6635 -3.10477 -151.183 GPRESSURE: 4379000 74.4299 -70.558 -22.9898 -48.0603 78.185 26.8692 -47.2711 58.4702 -65.2246 PRESSAVG: 4379000 -50.0037 -1.30308 90.7353 -1.303 77.9376 24.3871 90.7353 24.387 -64.7034 GPRESSAVG: 4379000 -49.9841 -2.07458 90.0423 -0.160371 76.9391 26.5102 90.2354 24.4313 -63.9585 TIMING: 4379000 CPU: 13157.9, 0.0030202/step Wall: 13157.9, 0.0030202/step, 0.520984 hours remaining, 210.046875 MB of memory in use. ENERGY: 4379000 706.4967 2133.4167 1912.5924 115.2873 -205724.2473 17602.6529 0.0000 0.0000 34461.4183 -148792.3829 300.9601 -183253.8012 -148694.8330 300.2036 -3.8148 29.1301 558447.8757 -12.2565 -12.3345 PRESSURE: 4379200 10.7261 205.291 20.6606 205.292 43.053 119.056 20.6606 119.058 -56.347 GPRESSURE: 4379200 79.2398 217.648 94.3618 247.856 64.1004 0.433402 16.9835 142.191 -32.0821 PRESSAVG: 4379200 -30.6702 -2.41027 1.46977 -2.41026 -4.97714 39.9003 1.46975 39.9003 32.4036 GPRESSAVG: 4379200 -30.0025 -2.47887 4.78855 -1.62861 -4.4898 38.8618 0.0130546 38.7837 31.7844 TIMING: 4379200 CPU: 13158.4, 0.00299061/step Wall: 13158.4, 0.00299061/step, 0.515713 hours remaining, 210.277344 MB of memory in use. ENERGY: 4379200 729.7095 2085.6963 1963.5469 113.4287 -206012.8299 17838.6479 0.0000 0.0000 34319.0516 -148962.7489 299.7168 -183281.8005 -148874.0066 300.6937 -0.8559 37.0860 558047.5669 -1.0812 -0.9027 PRESSURE: 4379400 42.8042 111.831 49.8196 111.831 -148.538 39.7423 49.82 39.7423 74.2444 GPRESSURE: 4379400 52.4255 131.532 8.45779 142.466 -58.5263 141.873 50.8711 -54.4478 66.2993 PRESSAVG: 4379400 -18.9425 48.8533 6.69561 48.8533 24.613 -34.1309 6.69561 -34.1309 -26.0796 GPRESSAVG: 4379400 -18.5384 48.0997 5.43056 48.5499 26.0711 -33.1155 6.08878 -33.6986 -27.6189 TIMING: 4379400 CPU: 13159, 0.00298434/step Wall: 13159, 0.00298434/step, 0.514466 hours remaining, 210.277344 MB of memory in use. ENERGY: 4379400 720.1422 2152.6246 1953.3533 105.2486 -206178.6550 17832.9351 0.0000 0.0000 34339.1073 -149075.2439 299.8920 -183414.3512 -148986.1066 300.2323 -10.4965 20.0662 558047.9804 -6.8030 -6.6954 PRESSURE: 4379600 -235.627 49.0669 -137.512 49.0669 59.6111 31.3657 -137.512 31.3654 -63.5896 GPRESSURE: 4379600 -185.289 35.9877 -133.822 -58.0985 25.1917 -67.0362 -136.914 89.9691 23.8709 PRESSAVG: 4379600 24.9442 30.3802 27.098 30.3802 -42.8502 -12.7346 27.098 -12.7345 17.9824 GPRESSAVG: 4379600 25.2055 30.0978 24.6271 30.1555 -43.6212 -14.1757 27.4917 -14.253 19.1114 TIMING: 4379600 CPU: 13159.6, 0.00297246/step Wall: 13159.6, 0.00297246/step, 0.512254 hours remaining, 210.277344 MB of memory in use. ENERGY: 4379600 718.0357 2078.8277 1943.1881 121.0658 -206015.1895 17757.2568 0.0000 0.0000 34287.7971 -149109.0184 299.4439 -183396.8154 -149010.7321 299.8952 -79.8685 -45.4088 557943.9726 0.0255 0.2319 PRESSURE: 4379800 -191.85 76.6585 27.4452 76.6579 -171.507 81.399 27.4456 81.3994 6.19862 GPRESSURE: 4379800 -192.934 36.1314 -4.20103 78.5173 -138.722 104.458 105.239 78.3134 61.301 PRESSAVG: 4379800 4.46065 -9.66968 -69.0793 -9.66971 23.2132 -33.6476 -69.0793 -33.6477 -17.0463 GPRESSAVG: 4379800 3.08576 -9.14133 -66.4489 -10.3554 24.3908 -32.4751 -69.337 -32.7568 -17.0973 TIMING: 4379800 CPU: 13160.2, 0.00295175/step Wall: 13160.2, 0.00295175/step, 0.508521 hours remaining, 210.277344 MB of memory in use. ENERGY: 4379800 768.2377 2095.4467 1931.2897 114.9808 -206130.5925 17683.0079 0.0000 0.0000 34316.9902 -149220.6396 299.6988 -183537.6298 -149131.3409 299.8125 -119.0531 -90.1185 558628.9180 3.5425 3.4598 PRESSURE: 4380000 -64.1841 -72.0554 88.9741 -72.0552 -194.407 -22.9863 88.9751 -22.9858 -50.2586 GPRESSURE: 4380000 -29.387 -11.7883 141.492 -31.5845 -151.708 -78.1016 155.057 -51.9045 -40.1781 PRESSAVG: 4380000 -19.3296 -48.7555 46.5481 -48.7556 58.3312 -2.0434 46.5481 -2.04342 -27.4544 GPRESSAVG: 4380000 -19.5898 -49.5896 45.441 -43.7411 57.8743 -1.98628 46.8183 -1.67442 -26.668 TIMING: 4380000 CPU: 13160.8, 0.00295892/step Wall: 13160.8, 0.00295892/step, 0.509592 hours remaining, 210.277344 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: 4380000 738.9887 2088.5340 1949.4998 109.5650 -206167.1257 17635.4450 0.0000 0.0000 34387.2315 -149257.8617 300.3122 -183645.0932 -149161.3490 299.1357 -102.9498 -73.7578 558382.3838 3.8491 3.8722 PRESSURE: 4380200 115.414 13.7829 199.713 13.7829 231.191 138.181 199.713 138.181 103.108 GPRESSURE: 4380200 139.868 -55.9247 205.86 62.3533 260.703 181.517 110.223 136.16 153.844 PRESSAVG: 4380200 -93.0021 59.5062 75.2268 59.5063 88.1795 -29.9158 75.2267 -29.9157 -3.57504 GPRESSAVG: 4380200 -91.0551 57.7321 75.3735 56.6065 88.7775 -31.1402 77.3243 -30.3233 -5.47104 TIMING: 4380200 CPU: 13161.4, 0.00295988/step Wall: 13161.4, 0.00295988/step, 0.509593 hours remaining, 210.277344 MB of memory in use. ENERGY: 4380200 714.6982 2065.4652 1924.8648 119.7262 -206498.7840 18058.2150 0.0000 0.0000 34224.2658 -149391.5489 298.8890 -183615.8147 -149296.2203 298.7939 149.9040 184.8051 556497.5594 -2.7992 -2.5829 LDB: ============= START OF LOAD BALANCING ============== 13164.9 LDB: ============== END OF LOAD BALANCING =============== 13164.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13164.9 LDB: ============= START OF LOAD BALANCING ============== 13165.2 LDB: Largest compute 4773 load 0.027678 is 23.4% of average load 0.118037 LDB: Average compute 0.001734 is 1.5% of average load 0.118037 LDB: TIME 13165.2 LOAD: AVG 0.118037 MAX 0.20525 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.91 MB LDB: TIME 13165.2 LOAD: AVG 0.118037 MAX 0.20525 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.977 MB LDB: TIME 13165.2 LOAD: AVG 0.118037 MAX 0.20525 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.977 MB LDB: ============== END OF LOAD BALANCING =============== 13165.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13165.2 PRESSURE: 4380400 105.146 5.72508 -93.7227 5.72534 -31.9451 -98.6738 -93.7223 -98.6741 -54.3601 GPRESSURE: 4380400 128.276 -4.10306 -96.459 12.2978 -11.6769 -13.5678 -181.327 -172.37 -6.69406 PRESSAVG: 4380400 -19.6908 -58.5608 19.4099 -58.5609 51.7486 -17.3672 19.4098 -17.3673 -40.5169 GPRESSAVG: 4380400 -20.1233 -57.013 19.3185 -58.4496 50.919 -16.1091 17.2923 -17.5972 -39.6368 TIMING: 4380400 CPU: 13162, 0.00302/step Wall: 13162, 0.00302/step, 0.519776 hours remaining, 210.023438 MB of memory in use. ENERGY: 4380400 729.2016 2012.7261 1953.0632 110.3375 -206237.4591 17772.4727 0.0000 0.0000 34187.6906 -149471.9674 298.5696 -183659.6580 -149376.3542 298.6000 6.2801 36.6352 557543.7582 -2.8197 -2.9470 PRESSURE: 4380600 -34.858 198.754 104.406 198.753 -2.24107 -25.3097 104.407 -25.3092 -191.478 GPRESSURE: 4380600 1.93213 183.856 90.0285 182.813 8.25443 -7.73949 48.7604 -15.6708 -142.482 PRESSAVG: 4380600 4.16362 -12.2025 -6.2851 -12.2027 63.7567 -47.0013 -6.28501 -47.0014 -50.6053 GPRESSAVG: 4380600 5.07809 -10.6133 -6.85393 -13.4268 62.3407 -49.2144 -4.50535 -45.6057 -50.4503 TIMING: 4380600 CPU: 13162.6, 0.00292176/step Wall: 13162.6, 0.00292176/step, 0.502706 hours remaining, 210.023438 MB of memory in use. ENERGY: 4380600 737.8930 2089.4640 1923.8753 103.9358 -206516.8572 17848.8783 0.0000 0.0000 34385.4796 -149427.3312 300.2969 -183812.8108 -149339.3177 298.8842 -76.1922 -44.0986 557041.9246 5.7717 5.6562 PRESSURE: 4380800 -122.456 78.0432 -87.0823 78.0428 405.029 -87.7811 -87.0823 -87.7817 130.724 GPRESSURE: 4380800 -57.5422 88.7606 -67.2995 -1.72538 352.471 -140.007 -31.1881 -100.157 211.296 PRESSAVG: 4380800 -24.3078 50.8876 2.28733 50.8876 38.8994 17.1202 2.2874 17.1203 -17.9317 GPRESSAVG: 4380800 -25.1909 50.7701 4.16403 49.6332 39.7318 19.8455 0.137392 15.1847 -17.9669 TIMING: 4380800 CPU: 13163.2, 0.00292577/step Wall: 13163.2, 0.00292577/step, 0.503233 hours remaining, 210.023438 MB of memory in use. ENERGY: 4380800 723.9950 2052.5544 1957.3763 112.1348 -206378.0770 17989.3322 0.0000 0.0000 34171.2547 -149371.4296 298.4261 -183542.6844 -149273.4186 298.6688 137.7655 168.7416 556771.3433 -1.1134 -1.1420 PRESSURE: 4381000 47.1472 -117.737 -104.624 -117.737 158.577 -202.338 -104.623 -202.338 133.371 GPRESSURE: 4381000 37.8717 -77.6233 -75.4512 -172.346 183.047 -174.035 -82.7954 -231.395 214.224 PRESSAVG: 4381000 21.6904 -11.7392 -51.5411 -11.7391 41.3753 60.1978 -51.5411 60.1977 -56.6677 GPRESSAVG: 4381000 20.9908 -11.9681 -52.6866 -10.3694 41.4543 60.7135 -50.3881 60.9518 -56.1613 TIMING: 4381000 CPU: 13163.8, 0.00295518/step Wall: 13163.8, 0.00295518/step, 0.508127 hours remaining, 210.023438 MB of memory in use. ENERGY: 4381000 734.8868 2072.4358 1897.3639 124.4185 -206131.1487 17910.7818 0.0000 0.0000 34260.7159 -149130.5460 299.2074 -183391.2620 -149034.7079 299.2446 113.0316 145.0475 557460.3239 2.1327 2.0946 PRESSURE: 4381200 -216.957 129.528 -48.4084 129.529 -180.172 -106.292 -48.4081 -106.292 223.416 GPRESSURE: 4381200 -143.273 16.2363 4.3787 152.329 -129.983 -11.6024 -94.2521 -119.031 193.258 PRESSAVG: 4381200 23.807 -36.0297 -19.1217 -36.0297 43.5282 -8.6932 -19.1217 -8.69314 -20.6752 GPRESSAVG: 4381200 22.9028 -38.0498 -20.1526 -35.777 43.9506 -10.9036 -20.1221 -7.07589 -19.9921 TIMING: 4381200 CPU: 13164.4, 0.00296238/step Wall: 13164.4, 0.00296238/step, 0.5092 hours remaining, 210.023438 MB of memory in use. ENERGY: 4381200 722.9628 2145.5157 1945.5293 102.5009 -205793.7509 17611.1982 0.0000 0.0000 34084.5865 -149181.4576 297.6692 -183266.0441 -149089.9695 298.9802 -57.9045 -26.6661 556789.4175 15.5533 15.6204 PRESSURE: 4381400 53.1575 -19.7787 74.4251 -19.7782 5.86171 72.9039 74.4246 72.9045 -12.3446 GPRESSURE: 4381400 95.7687 46.4616 83.7017 -16.3385 53.9627 98.8533 51.5477 162.946 -8.49473 PRESSAVG: 4381400 -16.4865 9.04474 41.4999 9.04474 56.3155 -2.17498 41.4999 -2.17501 -60.8624 GPRESSAVG: 4381400 -15.0497 10.3561 43.2685 9.09058 55.5211 -0.39205 40.9764 -3.06288 -61.4909 TIMING: 4381400 CPU: 13165, 0.0029723/step Wall: 13165, 0.00297231/step, 0.510741 hours remaining, 210.023438 MB of memory in use. ENERGY: 4381400 761.6831 2118.2546 1936.2401 106.6630 -205944.4009 17741.4199 0.0000 0.0000 33988.4904 -149291.6496 296.8299 -183280.1400 -149193.9294 298.6825 15.5582 47.0789 556286.6194 -7.0111 -7.0065 PRESSURE: 4381600 144.451 -39.4407 -43.6395 -39.4405 148.73 5.4842 -43.6396 5.48366 -295.463 GPRESSURE: 4381600 155.837 -31.7286 -7.25408 -69.9975 162.754 -17.7091 -32.6103 7.95195 -224.938 PRESSAVG: 4381600 17.6974 26.849 21.117 26.849 40.6177 17.8019 21.117 17.8018 -41.3262 GPRESSAVG: 4381600 16.5503 27.0739 21.6154 26.8632 41.3604 15.1226 22.3639 17.1576 -40.7846 TIMING: 4381600 CPU: 13165.6, 0.00299161/step Wall: 13165.6, 0.00299161/step, 0.513893 hours remaining, 210.023438 MB of memory in use. ENERGY: 4381600 740.6784 2074.0255 1974.6672 115.4257 -206395.4815 17888.0159 0.0000 0.0000 34313.0821 -149289.5867 299.6647 -183602.6688 -149188.6549 298.5748 -0.7609 31.2174 555588.2626 5.6630 5.7087 PRESSURE: 4381800 -292.15 -70.8186 -55.246 -70.8197 -110.272 -42.5186 -55.2469 -42.5188 -35.0328 GPRESSURE: 4381800 -209.734 -82.8237 -128.293 -12.7439 -103.691 -23.2526 -7.49539 -29.9972 -15.802 PRESSAVG: 4381800 37.9254 17.4814 5.59867 17.4814 -33.6642 1.7527 5.59857 1.75267 -28.1855 GPRESSAVG: 4381800 38.5094 16.9269 5.496 15.1745 -33.8128 3.47302 5.991 2.7374 -28.1629 TIMING: 4381800 CPU: 13166.2, 0.0029603/step Wall: 13166.2, 0.0029603/step, 0.50835 hours remaining, 210.023438 MB of memory in use. ENERGY: 4381800 753.1905 2061.9810 1950.0516 125.2198 -205815.1886 17427.3634 0.0000 0.0000 34148.7412 -149348.6410 298.2295 -183497.3822 -149251.5746 299.0224 -145.8185 -109.7421 556290.3148 -7.9748 -7.8221 PRESSURE: 4382000 49.2488 141.738 -1.42368 141.738 -362.605 15.3189 -1.42423 15.3177 95.8028 GPRESSURE: 4382000 121.093 170.708 29.6267 152.073 -350.022 76.2483 -38.387 -125.069 117.139 PRESSAVG: 4382000 -38.0176 46.1666 -8.18945 46.1665 46.9672 -5.58264 -8.1894 -5.58264 -6.06276 GPRESSAVG: 4382000 -38.1239 46.3821 -9.79281 47.1123 47.6777 -5.80843 -6.91745 -6.25235 -6.09149 TIMING: 4382000 CPU: 13166.8, 0.00298317/step Wall: 13166.8, 0.00298317/step, 0.51211 hours remaining, 210.023438 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: 4382000 766.0839 2039.3304 1924.9439 105.8718 -206201.5499 17705.8784 0.0000 0.0000 34120.6568 -149538.7848 297.9842 -183659.4415 -149439.4633 298.8778 -72.5178 -37.2633 557578.5568 0.9623 1.1541 PRESSURE: 4382200 35.5855 33.6837 -2.58117 33.6841 -187.773 -66.3647 -2.58069 -66.3649 -165.169 GPRESSURE: 4382200 70.8466 -53.1308 -52.7152 115.729 -67.1841 -91.8997 66.0839 3.70201 -219.016 PRESSAVG: 4382200 9.83506 -24.905 -20.7879 -24.9049 -63.2679 -79.8176 -20.7879 -79.8177 57.3051 GPRESSAVG: 4382200 9.27852 -25.9503 -20.0564 -24.6492 -62.3284 -77.6439 -23.5153 -81.2425 57.2427 TIMING: 4382200 CPU: 13167.3, 0.00296096/step Wall: 13167.3, 0.00296096/step, 0.508134 hours remaining, 210.218750 MB of memory in use. ENERGY: 4382200 749.9640 2084.5566 1954.7674 108.6527 -206186.1500 17705.4327 0.0000 0.0000 34214.4699 -149368.3067 298.8035 -183582.7766 -149263.8836 298.3074 -105.7853 -71.7845 557609.7985 1.2907 1.3976 PRESSURE: 4382400 0.0733015 56.2227 -62.288 56.2225 137.754 111.019 -62.2877 111.019 33.2655 GPRESSURE: 4382400 29.411 -39.4197 -112.77 87.3276 150.397 140.127 -15.4027 123.685 92.6595 PRESSAVG: 4382400 -13.0925 17.3987 -59.4725 17.3987 -5.05228 10.2758 -59.4724 10.2758 -19.176 GPRESSAVG: 4382400 -12.0639 18.753 -60.7415 18.1069 -5.74097 6.84272 -57.5258 12.3322 -19.0625 TIMING: 4382400 CPU: 13167.9, 0.00297258/step Wall: 13167.9, 0.00297258/step, 0.509963 hours remaining, 210.460938 MB of memory in use. ENERGY: 4382400 720.7204 2124.6795 1920.7659 114.6414 -206253.7986 17933.3996 0.0000 0.0000 34044.3251 -149395.2667 297.3176 -183439.5918 -149296.9493 298.5344 57.0311 90.8224 557487.1128 -12.4403 -12.2891 PRESSURE: 4382600 147.125 55.1086 -24.2852 55.1086 -19.9045 -188.243 -24.2849 -188.243 96.2831 GPRESSURE: 4382600 194.006 3.0382 -70.071 59.8462 16.1941 -339.577 -28.5794 -114.426 122.653 PRESSAVG: 4382600 7.64445 30.899 -6.23671 30.8991 20.1698 -38.1984 -6.23671 -38.1984 -29.5885 GPRESSAVG: 4382600 7.98037 31.6665 -4.45866 30.1386 20.0786 -37.2953 -6.12754 -39.1118 -29.9024 TIMING: 4382600 CPU: 13168.5, 0.00296717/step Wall: 13168.5, 0.00296717/step, 0.508869 hours remaining, 210.460938 MB of memory in use. ENERGY: 4382600 707.5205 2086.1540 1931.7699 115.9274 -206507.8167 17861.4662 0.0000 0.0000 34366.2196 -149438.7593 300.1287 -183804.9788 -149349.4078 298.4764 74.5011 110.9513 556591.4289 -0.5914 -0.6145 PRESSURE: 4382800 -256.556 22.6425 20.5382 22.643 -121.158 137.033 20.5369 137.032 12.1547 GPRESSURE: 4382800 -216.685 -29.6572 78.1391 99.5749 -83.6308 147.648 -65.9306 119.441 29.8053 PRESSAVG: 4382800 -20.2761 -6.02605 4.28019 -6.02602 -32.6355 -23.8194 4.2803 -23.8194 71.6435 GPRESSAVG: 4382800 -20.7234 -6.46976 4.73557 -4.14434 -32.604 -24.4352 3.28978 -23.5864 72.0948 TIMING: 4382800 CPU: 13169.1, 0.00297665/step Wall: 13169.1, 0.00297665/step, 0.51033 hours remaining, 210.460938 MB of memory in use. ENERGY: 4382800 730.5500 2127.4773 1933.6129 112.5851 -206487.8797 17772.4318 0.0000 0.0000 34351.8417 -149459.3809 300.0032 -183811.2226 -149360.0699 298.7854 -121.8532 -90.1702 559094.0629 6.2440 6.2558 PRESSURE: 4383000 -44.0163 -91.4018 -82.9669 -91.4017 -132.355 -46.0572 -82.9684 -46.0571 26.8982 GPRESSURE: 4383000 -22.9205 -32.3914 -57.1036 -51.9747 -69.2595 -67.1899 -29.7675 -54.0186 36.4033 PRESSAVG: 4383000 -21.3263 62.9577 10.1454 62.9577 -6.63033 8.10507 10.1454 8.10496 41.7806 GPRESSAVG: 4383000 -21.2608 62.0701 9.58925 61.7701 -5.78139 9.24237 10.0146 8.67505 41.0758 TIMING: 4383000 CPU: 13169.7, 0.00295244/step Wall: 13169.7, 0.00295244/step, 0.506015 hours remaining, 210.460938 MB of memory in use. ENERGY: 4383000 754.8885 2020.5849 1927.3278 121.9072 -206254.0742 17723.1151 0.0000 0.0000 34227.5031 -149478.7476 298.9173 -183706.2507 -149380.5939 298.3789 -49.8244 -18.5923 557988.2109 4.6080 4.6779 PRESSURE: 4383200 -165.045 99.2347 75.9256 99.2365 -13.4076 105.883 75.9258 105.883 156.554 GPRESSURE: 4383200 -119.129 58.5793 76.8982 120.881 89.7062 84.7935 30.9678 121.32 102.118 PRESSAVG: 4383200 -97.9417 3.11463 5.4874 3.11467 9.39912 -1.37094 5.48736 -1.37108 66.1925 GPRESSAVG: 4383200 -97.0731 3.5337 5.69253 4.72282 9.10844 -0.826683 5.57528 -2.39633 65.9727 TIMING: 4383200 CPU: 13170.3, 0.0029665/step Wall: 13170.3, 0.0029665/step, 0.508261 hours remaining, 210.460938 MB of memory in use. ENERGY: 4383200 745.0702 2023.2104 1938.8238 108.4072 -206335.4016 17799.6658 0.0000 0.0000 34208.9729 -149511.2512 298.7555 -183720.2241 -149411.5865 297.8053 -7.2996 24.2315 557969.8222 -7.4500 -7.3306 PRESSURE: 4383400 -161.419 -49.1937 -177.103 -49.1947 -458.456 -51.4556 -177.102 -51.4548 14.2584 GPRESSURE: 4383400 -145.756 -97.7692 -174.491 -11.3208 -404.737 -74.6553 -203.233 -49.2176 39.882 PRESSAVG: 4383400 -102.521 -4.76101 5.64835 -4.76114 50.9629 12.1758 5.6483 12.1757 71.3513 GPRESSAVG: 4383400 -101.454 -5.56259 5.82213 -5.47286 49.9759 10.6762 4.47113 12.4244 71.9048 TIMING: 4383400 CPU: 13170.9, 0.00298045/step Wall: 13170.9, 0.00298045/step, 0.510485 hours remaining, 210.460938 MB of memory in use. ENERGY: 4383400 705.9543 2105.2896 1944.4884 113.3140 -205920.1666 17288.8767 0.0000 0.0000 34327.9319 -149434.3117 299.7944 -183762.2435 -149335.1581 298.7112 -201.8724 -170.2037 557226.8983 6.5978 6.8089 PRESSURE: 4383600 44.5169 43.8102 -201.876 43.8102 161.297 174.633 -201.876 174.633 -110.984 GPRESSURE: 4383600 106.531 48.1878 -260.244 23.703 140.181 195.282 -240.826 139.367 -64.7195 PRESSAVG: 4383600 -26.3715 7.14209 -26.3219 7.14212 49.1223 3.03911 -26.3219 3.0392 -2.91072 GPRESSAVG: 4383600 -26.0148 8.22679 -26.9305 8.04793 49.3088 2.98804 -24.6003 3.20889 -3.53261 TIMING: 4383600 CPU: 13171.5, 0.00295561/step Wall: 13171.5, 0.00295561/step, 0.506066 hours remaining, 210.460938 MB of memory in use. ENERGY: 4383600 744.1769 2085.5462 1913.5743 119.2644 -206545.7565 17964.0585 0.0000 0.0000 34171.5414 -149547.5948 298.4286 -183719.1362 -149452.3362 298.2641 31.6101 60.6640 557534.2981 6.6134 6.5871 PRESSURE: 4383800 68.828 60.8048 25.9285 60.804 46.5779 134.908 25.9277 134.908 107.579 GPRESSURE: 4383800 95.5819 13.5651 -10.8588 98.8132 59.9089 178.414 96.4672 35.84 162.69 PRESSAVG: 4383800 -74.7149 -20.1324 -50.0798 -20.1324 56.8371 -14.1257 -50.0798 -14.1258 37.4148 GPRESSAVG: 4383800 -75.5987 -20.0451 -49.616 -19.5718 57.9602 -15.8528 -51.5715 -13.8089 37.6642 TIMING: 4383800 CPU: 13172.1, 0.00295494/step Wall: 13172.1, 0.00295494/step, 0.505787 hours remaining, 210.460938 MB of memory in use. ENERGY: 4383800 742.4878 2111.7042 1935.9754 104.2658 -206819.7674 18107.4080 0.0000 0.0000 34210.1210 -149607.8053 298.7655 -183817.9263 -149505.8244 298.3295 74.3284 106.0603 556383.2073 6.5123 6.6752 PRESSURE: 4384000 153.958 -22.3812 33.5195 -22.38 -16.6084 -13.2992 33.519 -13.2984 54.0676 GPRESSURE: 4384000 164.722 -46.6672 116.148 54.2137 49.3855 -32.1166 14.7041 68.0886 85.3096 PRESSAVG: 4384000 29.3572 -14.5017 26.0927 -14.5017 8.17633 -8.56737 26.0926 -8.56741 -18.2278 GPRESSAVG: 4384000 28.9973 -16.1437 27.0389 -14.6447 8.15892 -6.59987 25.5512 -8.84203 -17.8544 TIMING: 4384000 CPU: 13172.7, 0.00299204/step Wall: 13172.7, 0.00299204/step, 0.511971 hours remaining, 210.460938 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: 4384000 726.5320 2094.6464 1941.3914 105.0196 -206612.1574 17982.7920 0.0000 0.0000 34157.7306 -149604.0455 298.3080 -183761.7761 -149510.2588 297.8082 63.8057 99.8058 556225.6312 6.4352 6.4340 PRESSURE: 4384200 0.476047 -133.258 44.0057 -133.257 0.33265 -15.1827 44.0066 -15.1821 66.8539 GPRESSURE: 4384200 68.0581 -157.108 106.485 -67.6942 11.4175 -60.533 41.2605 30.6908 71.6342 PRESSAVG: 4384200 -6.73191 18.793 14.327 18.793 -31.3098 -12.4073 14.327 -12.4074 -6.52442 GPRESSAVG: 4384200 -6.19233 20.3523 15.1833 16.4688 -32.1587 -12.8033 14.887 -13.3213 -6.04061 TIMING: 4384200 CPU: 13173.3, 0.00298484/step Wall: 13173.3, 0.00298484/step, 0.510573 hours remaining, 210.460938 MB of memory in use. ENERGY: 4384200 738.7130 2027.8453 1926.2634 111.6250 -206778.4839 17921.6481 0.0000 0.0000 34127.4470 -149924.9421 298.0435 -184052.3891 -149826.0692 297.6719 22.5542 50.3699 556366.2871 -14.8554 -14.7972 LDB: ============= START OF LOAD BALANCING ============== 13176.8 LDB: ============== END OF LOAD BALANCING =============== 13176.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13176.8 LDB: ============= START OF LOAD BALANCING ============== 13177.1 LDB: Largest compute 4773 load 0.028149 is 23.8% of average load 0.118109 LDB: Average compute 0.001727 is 1.5% of average load 0.118109 LDB: TIME 13177.1 LOAD: AVG 0.118109 MAX 0.20535 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.906 MB LDB: TIME 13177.1 LOAD: AVG 0.118109 MAX 0.20535 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.906 MB LDB: TIME 13177.1 LOAD: AVG 0.118109 MAX 0.20535 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.906 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13177.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13177.1 PRESSURE: 4384400 92.9278 -63.167 142.716 -63.1669 110.466 -138.923 142.714 -138.922 -142.126 GPRESSURE: 4384400 200.565 -28 175.886 -3.63379 122.586 -142.128 94.4774 -83.8913 -165.896 PRESSAVG: 4384400 60.6716 1.54209 -19.9923 1.54211 -76.7261 -1.81043 -19.9923 -1.81059 25.3709 GPRESSAVG: 4384400 60.8677 0.400901 -22.5056 0.966867 -77.3336 -0.596395 -18.9096 0.841941 25.7208 TIMING: 4384400 CPU: 13173.9, 0.00304332/step Wall: 13173.9, 0.00304332/step, 0.520408 hours remaining, 209.234375 MB of memory in use. ENERGY: 4384400 717.9633 2123.6965 1943.9322 118.4775 -206690.3558 17941.8499 0.0000 0.0000 33889.9391 -149954.4972 295.9693 -183844.4363 -149852.3122 297.3222 20.4228 52.4185 555736.4875 3.1055 3.0850 PRESSURE: 4384600 88.5194 -132.208 -179.554 -132.208 -143.908 -127.758 -179.555 -127.758 11.3619 GPRESSURE: 4384600 116.881 -87.2448 -156.4 -82.0807 -79.7325 -82.7458 -167.044 -113.797 18.3511 PRESSAVG: 4384600 6.41901 -39.9523 6.37269 -39.9523 35.4859 -81.9328 6.37273 -81.9328 -59.4223 GPRESSAVG: 4384600 6.9034 -40.4707 8.35846 -38.6977 35.1384 -83.1249 4.98091 -83.4184 -59.7143 TIMING: 4384600 CPU: 13174.5, 0.00299645/step Wall: 13174.5, 0.00299645/step, 0.512227 hours remaining, 209.234375 MB of memory in use. ENERGY: 4384600 741.3952 2043.1229 1923.5381 115.0609 -206989.9780 18040.2407 0.0000 0.0000 34253.7440 -149872.8762 299.1465 -184126.6201 -149782.6458 297.6190 -14.6755 18.4999 555881.9950 -5.8391 -5.8908 PRESSURE: 4384800 1.0795 -108.625 -40.0498 -108.625 -220.482 60.1375 -40.0486 60.1387 118.133 GPRESSURE: 4384800 28.773 -61.7039 -40.3792 -80.4137 -149.393 44.265 40.453 137.036 115.602 PRESSAVG: 4384800 18.049 -42.0524 25.9973 -42.0524 -28.0685 -10.524 25.9974 -10.524 7.87016 GPRESSAVG: 4384800 16.8765 -41.4359 25.6175 -41.9214 -26.5618 -11.7297 25.0172 -9.15044 7.2887 TIMING: 4384800 CPU: 13175.1, 0.00298837/step Wall: 13175.1, 0.00298837/step, 0.510679 hours remaining, 209.234375 MB of memory in use. ENERGY: 4384800 743.7927 2035.7431 1936.1655 112.4633 -206266.2687 17794.7833 0.0000 0.0000 33877.5361 -149765.7848 295.8609 -183643.3209 -149679.8715 298.0173 -33.7565 -1.6724 556196.6717 -0.7164 -0.7988 PRESSURE: 4385000 41.5722 142.679 -13.8579 142.68 -219.929 13.3164 -13.8574 13.3162 110.845 GPRESSURE: 4385000 87.5937 201.63 11.0986 172.578 -142.888 74.351 -59.3169 -29.1489 78.2986 PRESSAVG: 4385000 26.4797 13.1933 19.3831 13.1932 22.5983 21.3645 19.3831 21.3644 8.53158 GPRESSAVG: 4385000 27.981 13.1803 18.6914 14.1504 20.6629 23.5453 20.9299 19.2447 9.14422 TIMING: 4385000 CPU: 13175.7, 0.00296443/step Wall: 13175.7, 0.00296443/step, 0.506423 hours remaining, 209.234375 MB of memory in use. ENERGY: 4385000 751.9881 2113.0827 1932.5912 124.8578 -206365.8292 17769.5347 0.0000 0.0000 34090.7129 -149583.0619 297.7227 -183673.7747 -149478.1182 297.7432 -22.5040 7.6682 555579.8862 19.2032 19.2627 PRESSURE: 4385200 204.745 -97.7999 -104.167 -97.8006 305.654 80.9167 -104.168 80.9173 41.5366 GPRESSURE: 4385200 241.992 -168.721 -94.8032 -66.8347 326.27 156.916 -219.84 53.6916 97.9839 PRESSAVG: 4385200 10.9089 -16.5181 -37.2156 -16.5181 12.9836 30.9777 -37.2157 30.9777 -37.9406 GPRESSAVG: 4385200 10.1122 -17.3262 -36.8011 -17.8283 14.858 30.2975 -38.4292 32.0004 -38.82 TIMING: 4385200 CPU: 13176.3, 0.00296873/step Wall: 13176.3, 0.00296873/step, 0.506993 hours remaining, 209.234375 MB of memory in use. ENERGY: 4385200 751.4224 2081.3631 1922.7221 98.2791 -206724.6727 18188.0235 0.0000 0.0000 34190.4800 -149492.3825 298.5940 -183682.8625 -149400.2196 298.1093 183.9783 222.0821 556446.2368 -4.6827 -4.6166 PRESSURE: 4385400 -211.857 -117.642 -120.112 -117.642 -76.3505 22.6972 -120.112 22.6989 -17.9836 GPRESSURE: 4385400 -189.003 -120.148 -50.4554 -90.7436 -70.0613 63.3028 -167.914 27.7092 44.7008 PRESSAVG: 4385400 -32.8376 2.71187 17.0888 2.71189 10.1815 54.2395 17.0888 54.2395 -4.74726 GPRESSAVG: 4385400 -32.9027 3.34362 16.2511 2.12777 9.48202 53.8237 16.9734 54.4219 -3.57135 TIMING: 4385400 CPU: 13176.9, 0.00297404/step Wall: 13176.9, 0.00297404/step, 0.507735 hours remaining, 209.234375 MB of memory in use. ENERGY: 4385400 718.4583 2101.9467 1950.0784 113.1842 -206379.4523 17745.2915 0.0000 0.0000 34129.6233 -149620.8700 298.0625 -183750.4932 -149524.0249 297.6474 -102.0636 -71.4545 558222.7859 -9.1344 -8.9973 PRESSURE: 4385600 177.959 -37.565 -16.1485 -37.5652 242.058 102.75 -16.1502 102.748 175.349 GPRESSURE: 4385600 196.525 -23.9544 32.0583 -51.9344 245.78 67.4416 -82.0224 108.021 246.996 PRESSAVG: 4385600 6.20218 9.28867 -61.2972 9.28871 33.1871 -16.7368 -61.2972 -16.7368 -3.9593 GPRESSAVG: 4385600 6.84121 8.65761 -61.3811 9.66039 33.7891 -16.6892 -60.8157 -17.3993 -5.01057 TIMING: 4385600 CPU: 13177.5, 0.00294827/step Wall: 13177.5, 0.00294827/step, 0.503171 hours remaining, 209.234375 MB of memory in use. ENERGY: 4385600 744.2663 2134.6019 1938.7698 116.4397 -206705.4987 18126.3056 0.0000 0.0000 34104.2640 -149540.8514 297.8410 -183645.1154 -149445.4581 298.2775 198.4553 229.7666 556119.3517 11.8100 11.8732 PRESSURE: 4385800 -154.311 170.321 97.8191 170.321 -241.401 -11.6928 97.8192 -11.6936 82.925 GPRESSURE: 4385800 -141.049 157.43 149.573 192.162 -184.31 -5.34836 27.7458 -33.5424 111.087 PRESSAVG: 4385800 25.8071 -10.6287 -52.3385 -10.6286 -18.3857 13.7593 -52.3384 13.7592 17.9688 GPRESSAVG: 4385800 26.8969 -10.6721 -51.5152 -10.3726 -19.9441 12.7589 -50.3367 14.1826 18.2004 TIMING: 4385800 CPU: 13178.1, 0.00295546/step Wall: 13178.1, 0.00295546/step, 0.504234 hours remaining, 209.234375 MB of memory in use. ENERGY: 4385800 747.0213 2111.8237 1933.7844 130.9393 -206766.7769 17933.5577 0.0000 0.0000 34313.2387 -149596.4119 299.6660 -183909.6506 -149503.6151 298.5709 -104.2624 -71.4242 557937.6545 8.4634 8.3844 PRESSURE: 4386000 235.422 -76.412 56.6224 -76.4123 124.822 -30.7735 56.622 -30.7735 157.021 GPRESSURE: 4386000 224.16 -124.542 112.461 -70.8291 179.32 35.6368 50.9192 -96.3248 207.609 PRESSAVG: 4386000 -27.1122 27.2395 -1.74565 27.2395 22.9862 -14.1456 -1.74568 -14.1454 8.19451 GPRESSAVG: 4386000 -27.2347 28.25 -2.00853 29.7087 24.2708 -15.0861 -2.88822 -14.4606 7.44096 TIMING: 4386000 CPU: 13178.6, 0.00295834/step Wall: 13178.6, 0.00295834/step, 0.504561 hours remaining, 209.437500 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: 4386000 732.4119 2048.5246 1928.4781 110.8433 -206930.0498 18472.3098 0.0000 0.0000 34019.2822 -149618.1998 297.0989 -183637.4820 -149521.0513 298.1865 172.4218 203.6964 558215.0229 1.3562 1.4923 PRESSURE: 4386200 284.506 -59.7472 -84.0898 -59.7469 56.1764 -42.3941 -84.0899 -42.3924 -71.9627 GPRESSURE: 4386200 301.538 -49.5782 -55.1192 -102.352 101.201 -152.183 -88.8471 3.04627 -38.9484 PRESSAVG: 4386200 -0.22792 14.0942 -10.6034 14.0941 57.1897 -14.2874 -10.6034 -14.2874 -42.5428 GPRESSAVG: 4386200 -0.133754 13.9998 -10.1888 11.3758 56.0154 -12.7048 -10.2928 -14.2774 -40.9068 TIMING: 4386200 CPU: 13179.2, 0.00296766/step Wall: 13179.2, 0.00296766/step, 0.505986 hours remaining, 209.437500 MB of memory in use. ENERGY: 4386200 737.6009 2053.5191 1962.6948 107.9357 -206674.6366 18154.5358 0.0000 0.0000 34115.3501 -149543.0003 297.9378 -183658.3504 -149446.9709 298.1115 89.5732 121.2635 558266.9024 4.8063 4.9916 PRESSURE: 4386400 -356.842 -37.0026 217.465 -37.0037 -199.884 22.9128 217.464 22.9116 -318.149 GPRESSURE: 4386400 -389.971 -12.1736 248.299 -9.59192 -131.679 22.1967 196.016 -25.7137 -259.595 PRESSAVG: 4386400 -20.8188 -3.74057 59.828 -3.7407 84.8476 -12.328 59.8281 -12.328 -51.5378 GPRESSAVG: 4386400 -21.8767 -2.34617 58.561 -5.16062 85.5341 -12.4114 59.4288 -11.8611 -51.1792 TIMING: 4386400 CPU: 13179.8, 0.00296537/step Wall: 13179.8, 0.00296537/step, 0.505431 hours remaining, 209.437500 MB of memory in use. ENERGY: 4386400 744.6084 2042.6666 1945.7054 105.2072 -206082.3388 17675.0376 0.0000 0.0000 34017.7006 -149551.4130 297.0850 -183569.1136 -149457.0548 298.1328 -291.6248 -260.4147 560346.9398 4.1637 4.1594 PRESSURE: 4386600 95.0565 45.8637 -74.2194 45.8622 89.8089 -157.878 -74.2204 -157.879 73.2328 GPRESSURE: 4386600 96.9049 -22.446 11.5605 115.673 120.707 -129.335 -118.634 -145.653 128.238 PRESSAVG: 4386600 -21.4413 10.3658 38.9096 10.3658 0.0583184 0.186614 38.9095 0.186654 -5.93362 GPRESSAVG: 4386600 -20.2123 7.30114 39.3356 15.2385 0.383106 0.742759 40.2975 1.10543 -6.90137 TIMING: 4386600 CPU: 13180.4, 0.00297214/step Wall: 13180.4, 0.00297213/step, 0.506419 hours remaining, 209.437500 MB of memory in use. ENERGY: 4386600 732.7966 2085.2987 1969.0102 100.7949 -206730.3490 18125.8022 0.0000 0.0000 34103.2033 -149613.4432 297.8318 -183716.6464 -149518.7185 298.3322 86.0327 115.2832 558223.3861 -9.1055 -8.9102 PRESSURE: 4386800 13.1687 -34.4157 -14.3687 -34.4155 222.474 -205.519 -14.367 -205.519 -43.7856 GPRESSURE: 4386800 83.2845 -123.02 -48.2602 -20.6501 215.213 -244.512 79.0031 -263.016 -14.3366 PRESSAVG: 4386800 7.38371 -14.7362 27.7796 -14.7363 -0.604736 -33.719 27.7796 -33.719 -15.9029 GPRESSAVG: 4386800 6.98142 -12.4973 26.991 -16.814 -1.17456 -35.6161 28.9725 -35.7091 -14.5409 TIMING: 4386800 CPU: 13181, 0.00297187/step Wall: 13181, 0.00297187/step, 0.506208 hours remaining, 209.437500 MB of memory in use. ENERGY: 4386800 732.9359 1991.9439 1960.9743 103.1119 -206388.2777 17900.8800 0.0000 0.0000 34225.4505 -149472.9811 298.8994 -183698.4316 -149373.2713 298.1937 63.9524 94.7203 558363.1862 -3.0413 -2.9113 PRESSURE: 4387000 -19.6607 -115.207 -52.9122 -115.205 -10.8938 -91.5522 -52.9104 -91.5515 171.15 GPRESSURE: 4387000 -5.39348 -108.887 -53.6569 -156.609 71.0967 -79.3304 -14.8482 -83.1863 169.488 PRESSAVG: 4387000 5.05031 -56.7878 17.9815 -56.7878 -22.635 -13.8314 17.9815 -13.8314 -3.00751 GPRESSAVG: 4387000 5.24596 -55.9113 17.464 -57.4249 -22.8152 -14.5298 15.3579 -11.3751 -2.96706 TIMING: 4387000 CPU: 13181.6, 0.00295784/step Wall: 13181.6, 0.00295784/step, 0.503654 hours remaining, 209.437500 MB of memory in use. ENERGY: 4387000 711.7324 2110.1899 1947.5329 106.4474 -206225.6452 17895.5631 0.0000 0.0000 34067.9719 -149386.2075 297.5241 -183454.1794 -149290.1172 298.2862 46.8650 78.3970 558593.8909 -6.8641 -6.8454 PRESSURE: 4387200 -59.2029 -177.015 -165.847 -177.016 -163.913 24.4968 -165.847 24.4964 -223.559 GPRESSURE: 4387200 -26.7024 -239.984 -128.117 -51.8544 -133.761 -22.2846 -162.853 22.4187 -194.934 PRESSAVG: 4387200 12.8667 3.03776 -11.9865 3.03772 20.717 30.2649 -11.9866 30.2648 3.77694 GPRESSAVG: 4387200 12.4737 2.59113 -11.3699 3.65893 21.2356 31.5291 -11.1061 30.9673 3.4993 TIMING: 4387200 CPU: 13182.2, 0.00296372/step Wall: 13182.2, 0.00296372/step, 0.504492 hours remaining, 209.437500 MB of memory in use. ENERGY: 4387200 758.5057 2037.9330 1943.1976 117.2201 -205892.1084 17594.3502 0.0000 0.0000 33915.8621 -149525.0395 296.1957 -183440.9017 -149424.7737 297.7313 -148.8915 -118.4658 558006.0960 12.4536 12.4029 PRESSURE: 4387400 -419.931 48.668 45.0021 48.668 100.668 3.32026 45.0033 3.32016 -119.533 GPRESSURE: 4387400 -372.439 46.1038 5.47754 -88.1434 155.825 13.2657 93.8832 -14.2483 -121.913 PRESSAVG: 4387400 1.51855 57.1202 -24.3656 57.1202 20.543 30.0759 -24.3656 30.0759 -31.3899 GPRESSAVG: 4387400 1.97924 59.9266 -24.7867 55.3306 20.3342 28.6224 -23.3295 30.7707 -31.1245 TIMING: 4387400 CPU: 13182.8, 0.00295731/step Wall: 13182.8, 0.00295731/step, 0.503235 hours remaining, 209.437500 MB of memory in use. ENERGY: 4387400 762.0765 1970.3776 1993.0798 116.0372 -205764.6325 17541.3767 0.0000 0.0000 34055.3590 -149326.3257 297.4139 -183381.6847 -149232.2794 298.0830 -146.2651 -112.8423 559407.2611 -3.1094 -2.9370 PRESSURE: 4387600 173.626 -158.532 -18.1815 -158.533 207.182 41.3331 -18.181 41.3338 125.655 GPRESSURE: 4387600 160.853 -164.644 23.7531 -80.7491 225.181 -2.22199 -78.1599 43.6123 213.17 PRESSAVG: 4387600 -3.34366 39.0734 43.3409 39.0734 35.4431 21.0284 43.341 21.0285 33.1079 GPRESSAVG: 4387600 -4.07514 36.0026 44.5974 39.8038 35.9982 23.2506 39.301 20.5036 33.2291 TIMING: 4387600 CPU: 13183.4, 0.00295251/step Wall: 13183.4, 0.00295251/step, 0.502255 hours remaining, 209.437500 MB of memory in use. ENERGY: 4387600 757.0741 2042.7839 1964.9181 113.2909 -206825.1671 18218.4363 0.0000 0.0000 34147.7102 -149580.9536 298.2204 -183728.6638 -149485.0364 299.0762 168.8213 199.7346 557672.0167 21.7358 21.7174 PRESSURE: 4387800 -156.17 125.737 21.6062 125.738 1.40647 -58.8072 21.6069 -58.8081 -163.989 GPRESSURE: 4387800 -146.301 77.2334 13.1935 152.111 25.99 -50.0741 1.75933 -10.6994 -111.737 PRESSAVG: 4387800 -18.4305 18.4208 20.7954 18.4208 9.32966 27.8218 20.7954 27.8217 18.9253 GPRESSAVG: 4387800 -18.0824 18.9192 19.8894 19.1729 8.73699 27.3312 22.8608 25.9846 18.8271 TIMING: 4387800 CPU: 13184, 0.00294581/step Wall: 13184, 0.00294581/step, 0.500951 hours remaining, 209.437500 MB of memory in use. ENERGY: 4387800 714.8833 2087.1283 1958.6815 112.4033 -206211.0460 17648.8418 0.0000 0.0000 34110.8530 -149578.2548 297.8986 -183689.1079 -149476.1817 297.7774 -106.2506 -77.3493 557986.4660 3.2748 3.1606 PRESSURE: 4388000 -226.998 156.321 -102.275 156.321 63.886 -73.8752 -102.275 -73.8755 -90.2325 GPRESSURE: 4388000 -136.418 165.245 -159.856 118.721 99.2159 -35.1241 -87.4268 -14.7132 -120.316 PRESSAVG: 4388000 -13.2274 29.1142 -45.0337 29.1142 48.9706 -46.4993 -45.0337 -46.4993 12.6357 GPRESSAVG: 4388000 -13.6711 28.6019 -44.6122 28.228 50.178 -47.2293 -45.0021 -45.5383 11.29 TIMING: 4388000 CPU: 13184.6, 0.00295829/step Wall: 13184.6, 0.00295829/step, 0.502909 hours remaining, 209.437500 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: 4388000 748.1528 2135.6542 1970.0978 113.0574 -206038.8009 17546.1678 0.0000 0.0000 34070.9344 -149454.7365 297.5499 -183525.6709 -149363.5666 298.4627 -84.4481 -52.5061 557329.3197 16.1263 15.9323 PRESSURE: 4388200 -77.7985 -157.487 -129.188 -157.488 -206.805 184 -129.188 184.002 -229.899 GPRESSURE: 4388200 -39.2242 -159.113 -141.447 -205.536 -165.573 196.849 -135.603 276.593 -211.699 PRESSAVG: 4388200 -85.5902 6.73093 -44.4314 6.73095 74.0738 -13.0912 -44.4313 -13.0912 -23.8227 GPRESSAVG: 4388200 -85.5188 8.33993 -44.7161 6.78514 72.7445 -12.4235 -42.9055 -13.3207 -23.078 TIMING: 4388200 CPU: 13185.2, 0.00296624/step Wall: 13185.2, 0.00296624/step, 0.504096 hours remaining, 209.437500 MB of memory in use. ENERGY: 4388200 765.4413 2140.3062 1929.3160 108.8467 -206208.3565 17569.4939 0.0000 0.0000 34323.0317 -149371.9207 299.7516 -183694.9524 -149275.9528 298.6305 -171.5007 -138.8323 558234.7846 -11.7797 -11.9508 LDB: ============= START OF LOAD BALANCING ============== 13188.7 LDB: ============== END OF LOAD BALANCING =============== 13188.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13188.7 LDB: ============= START OF LOAD BALANCING ============== 13189 LDB: Largest compute 4773 load 0.027519 is 23.3% of average load 0.118072 LDB: Average compute 0.001733 is 1.5% of average load 0.118072 LDB: TIME 13189 LOAD: AVG 0.118072 MAX 0.205737 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.234 MB LDB: TIME 13189 LOAD: AVG 0.118072 MAX 0.205737 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.305 MB LDB: TIME 13189 LOAD: AVG 0.118072 MAX 0.205737 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.305 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13189 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13189 PRESSURE: 4388400 87.2978 -35.5974 133.247 -35.5968 -32.7955 139.857 133.247 139.854 -67.5289 GPRESSURE: 4388400 103.783 -89.7651 88.7691 -16.57 -39.1795 115.546 133.997 176.108 8.34081 PRESSAVG: 4388400 7.8898 -41.1061 -3.36873 -41.106 -15.2025 84.5609 -3.36873 84.5609 -18.9653 GPRESSAVG: 4388400 7.40235 -43.4807 -3.01673 -40.267 -15.9852 84.2657 -2.37898 84.1766 -18.0838 TIMING: 4388400 CPU: 13185.8, 0.00301522/step Wall: 13185.8, 0.00301522/step, 0.512252 hours remaining, 209.898438 MB of memory in use. ENERGY: 4388400 730.8630 2122.3545 1928.6402 116.9198 -206200.7617 17803.3424 0.0000 0.0000 34194.6137 -149304.0281 298.6301 -183498.6418 -149208.6116 298.9770 -4.3422 24.3146 557289.3438 -8.7593 -8.8889 PRESSURE: 4388600 -235.697 252.249 160.164 252.25 -15.3653 -88.7198 160.164 -88.7195 -442.242 GPRESSURE: 4388600 -186.372 194.126 192.18 258.603 -30.0357 -36.8811 224.05 -158.249 -369.947 PRESSAVG: 4388600 -8.47858 1.4661 65.6531 1.46613 85.7659 15.1302 65.6531 15.1301 -57.1552 GPRESSAVG: 4388600 -8.6717 1.7193 67.1879 0.966139 86.7202 15.8752 63.6701 15.1672 -57.089 TIMING: 4388600 CPU: 13186.4, 0.00295972/step Wall: 13186.4, 0.00295972/step, 0.50266 hours remaining, 210.101562 MB of memory in use. ENERGY: 4388600 746.2801 2113.3150 1940.2523 105.7643 -205802.1035 17299.8588 0.0000 0.0000 34315.9688 -149280.6642 299.6899 -183596.6330 -149180.1050 299.7479 -231.1015 -195.4515 557552.2196 6.7107 6.9865 PRESSURE: 4388800 141.678 11.9505 -7.72592 11.9496 -83.1219 -48.102 -7.72556 -48.1021 127.619 GPRESSURE: 4388800 98.922 -41.246 2.95301 2.38155 -32.3515 -26.0785 -93.7418 -49.4219 201.858 PRESSAVG: 4388800 1.79482 -46.3178 -29.5679 -46.3179 38.8426 -29.9751 -29.568 -29.975 -62.4368 GPRESSAVG: 4388800 0.340147 -44.9612 -31.6738 -47.6361 39.5277 -29.8687 -28.1637 -31.7172 -62.1347 TIMING: 4388800 CPU: 13186.9, 0.00295102/step Wall: 13186.9, 0.00295102/step, 0.501018 hours remaining, 210.101562 MB of memory in use. ENERGY: 4388800 742.8441 2099.4432 1963.2474 105.7777 -206174.9228 17762.4649 0.0000 0.0000 34235.8357 -149265.3099 298.9901 -183501.1456 -149166.8259 299.5039 62.0585 89.4763 556166.0041 -7.2664 -7.4223 PRESSURE: 4389000 -433.456 26.6549 -101.775 26.6546 -325.875 40.0134 -101.776 40.0122 -290.795 GPRESSURE: 4389000 -400.309 33.0042 -116.703 -50.0196 -311.907 -35.9569 -81.4091 75.2602 -248.185 PRESSAVG: 4389000 -57.8984 -17.0352 -25.9611 -17.0353 85.6803 -37.9741 -25.9612 -37.974 18.8638 GPRESSAVG: 4389000 -56.0916 -18.0375 -26.1961 -15.6602 85.7859 -38.0005 -25.4412 -36.8685 16.9318 TIMING: 4389000 CPU: 13187.5, 0.00297798/step Wall: 13187.5, 0.00297798/step, 0.50543 hours remaining, 210.101562 MB of memory in use. ENERGY: 4389000 768.8300 2113.1755 1923.2115 102.3865 -205695.3966 17307.2386 0.0000 0.0000 34152.1820 -149328.3726 298.2595 -183480.5546 -149234.5576 299.2806 -350.0420 -320.1336 559114.6308 15.5486 15.5421 PRESSURE: 4389200 -3.59547 -71.6149 -98.1523 -71.6148 -321.013 -167.991 -98.1528 -167.99 12.6084 GPRESSURE: 4389200 -4.72065 -53.1035 -62.5785 -68.0622 -278.852 -87.5465 -64.227 -232.167 75.2569 PRESSAVG: 4389200 -3.52468 -14.1686 -37.9954 -14.1685 -52.8564 -52.5249 -37.9953 -52.5247 65.9196 GPRESSAVG: 4389200 -2.38265 -13.4084 -37.1012 -14.6489 -55.0518 -51.8607 -39.2859 -51.7302 67.2852 TIMING: 4389200 CPU: 13188.1, 0.00301817/step Wall: 13188.1, 0.00301817/step, 0.512082 hours remaining, 210.101562 MB of memory in use. ENERGY: 4389200 777.7109 2088.0116 1941.9801 100.2008 -206237.4379 17749.8936 0.0000 0.0000 34269.0862 -149310.5546 299.2805 -183579.6408 -149215.8112 299.0014 -104.0002 -69.4386 556389.2511 3.1795 3.2836 PRESSURE: 4389400 -71.6682 71.5905 137.589 71.5915 -41.5977 -56.0656 137.59 -56.0667 2.13443 GPRESSURE: 4389400 -22.5802 96.5314 220.531 103.614 -28.1238 -77.7777 64.1988 -12.2182 23.0239 PRESSAVG: 4389400 -23.9565 53.2034 6.70133 53.2034 -21.7446 -30.4715 6.70134 -30.4714 19.4327 GPRESSAVG: 4389400 -24.569 54.6997 7.07277 54.4827 -20.3198 -31.7066 6.80276 -31.1893 18.5107 TIMING: 4389400 CPU: 13188.7, 0.00300603/step Wall: 13188.7, 0.00300603/step, 0.509856 hours remaining, 210.101562 MB of memory in use. ENERGY: 4389400 742.7369 2064.1310 1992.4506 115.2782 -206108.8234 17778.7525 0.0000 0.0000 34237.6781 -149177.7961 299.0062 -183415.4742 -149083.6590 299.4378 -37.0438 -9.2267 558461.6988 -8.7561 -8.7927 PRESSURE: 4389600 -53.2965 127.81 -178.29 127.811 -301.674 -109.358 -178.289 -109.359 -511.252 GPRESSURE: 4389600 -47.4953 42.5347 -212.797 191.298 -275.265 -84.0924 -178.57 -133.93 -446.314 PRESSAVG: 4389600 -59.6305 21.3063 -8.40603 21.3064 7.4876 12.9464 -8.40608 12.9463 60.6797 GPRESSAVG: 4389600 -60.6987 18.1768 -9.44423 21.8814 6.98431 13.7757 -10.274 12.2364 62.868 TIMING: 4389600 CPU: 13189.3, 0.00299838/step Wall: 13189.3, 0.00299838/step, 0.508393 hours remaining, 210.101562 MB of memory in use. ENERGY: 4389600 755.3281 1990.8312 1950.3923 95.4361 -205805.7020 17497.0997 0.0000 0.0000 34207.1249 -149309.4896 298.7393 -183516.6145 -149215.6650 299.0930 -288.7408 -256.3578 558966.1507 2.8456 3.0512 PRESSURE: 4389800 319.769 -3.24532 108.367 -3.24478 24.5221 -58.4578 108.367 -58.4595 22.4111 GPRESSURE: 4389800 321.611 20.8268 18.4265 -47.5671 98.3622 -11.1666 186.568 -103.596 39.4417 PRESSAVG: 4389800 19.5626 27.6678 12.4727 27.6678 25.6682 -38.9202 12.4726 -38.9203 -18.654 GPRESSAVG: 4389800 20.7303 29.703 10.4151 25.8881 25.015 -38.7545 13.5365 -36.8586 -19.2726 TIMING: 4389800 CPU: 13189.9, 0.00301129/step Wall: 13189.9, 0.00301129/step, 0.510413 hours remaining, 210.101562 MB of memory in use. ENERGY: 4389800 721.3096 2111.4076 1952.2066 116.6141 -206554.4257 18124.2815 0.0000 0.0000 34279.8646 -149248.7418 299.3746 -183528.6063 -149157.5575 299.5098 122.2341 153.1382 557727.7830 8.8589 8.8242 PRESSURE: 4390000 36.4226 -34.0959 10.0279 -34.0947 68.2683 83.0007 10.0279 83.0009 -23.3802 GPRESSURE: 4390000 84.5034 -51.4082 -95.6971 31.5633 56.3992 85.0302 36.1942 95.3159 36.2683 PRESSAVG: 4390000 -17.1471 26.3811 -1.00893 26.3811 22.7774 -0.316982 -1.00894 -0.317036 -16.3329 GPRESSAVG: 4390000 -17.2872 27.2037 -0.582806 26.5715 22.7079 -2.07197 0.521248 -2.6038 -16.1374 TIMING: 4390000 CPU: 13190.5, 0.00296395/step Wall: 13190.5, 0.00296395/step, 0.502225 hours remaining, 210.101562 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: 4390000 720.6215 2103.0648 1918.7663 134.5409 -206094.2037 17792.3869 0.0000 0.0000 34319.2060 -149105.6173 299.7182 -183424.8233 -149008.8959 299.2926 27.1036 59.0570 557750.2928 -3.5675 -3.5722 PRESSURE: 4390200 -27.5877 39.961 141.68 39.9602 -152.462 -98.0497 141.681 -98.0499 -82.8183 GPRESSURE: 4390200 23.2662 -31.7756 171.401 114.729 -120.319 -148.596 55.2479 -45.136 -59.8668 PRESSAVG: 4390200 -32.6322 50.5 -9.28172 50.5 56.4295 -66.9352 -9.28177 -66.9352 2.38707 GPRESSAVG: 4390200 -32.5765 49.2441 -8.82243 50.6237 56.6729 -66.6602 -12.3194 -67.4126 2.09498 TIMING: 4390200 CPU: 13191.1, 0.00295669/step Wall: 13191.1, 0.00295669/step, 0.50083 hours remaining, 210.101562 MB of memory in use. ENERGY: 4390200 734.3719 2030.5969 1971.1749 108.6646 -205905.0751 17601.9763 0.0000 0.0000 34321.4429 -149136.8476 299.7377 -183458.2905 -149039.3420 299.9482 -87.6228 -52.3066 557802.5434 8.7281 8.7305 PRESSURE: 4390400 78.7089 102.057 71.2972 102.057 5.06196 -3.62829 71.2982 -3.62884 210.345 GPRESSURE: 4390400 136.971 143.997 110.187 62.7436 67.9198 -82.3319 18.067 13.0735 191.259 PRESSAVG: 4390400 30.9361 9.71107 -19.5888 9.71109 -33.2701 -34.9093 -19.5889 -34.9093 -19.4554 GPRESSAVG: 4390400 30.4412 9.11142 -17.7161 12.3385 -32.6391 -35.013 -18.5728 -32.2153 -20.0474 TIMING: 4390400 CPU: 13191.7, 0.00295858/step Wall: 13191.7, 0.00295858/step, 0.500986 hours remaining, 210.101562 MB of memory in use. ENERGY: 4390400 756.4071 2039.2172 1925.1230 122.4463 -206498.6281 18082.5208 0.0000 0.0000 34506.6856 -149066.2282 301.3555 -183572.9137 -148973.7479 299.9232 98.0386 132.0499 556779.3301 -7.2631 -7.4151 PRESSURE: 4390600 -92.7027 54.4929 170.043 54.4921 -270.141 -61.7866 170.043 -61.787 -167.609 GPRESSURE: 4390600 -57.394 37.5336 139.822 65.1094 -248.625 42.2091 161.713 -100.205 -124.322 PRESSAVG: 4390600 17.0672 -38.3927 22.9372 -38.3927 -47.4091 -19.7991 22.9371 -19.7991 27.0245 GPRESSAVG: 4390600 17.3439 -38.1745 22.0464 -38.4748 -47.4509 -18.5624 23.9536 -20.3523 26.7184 TIMING: 4390600 CPU: 13192.3, 0.00295519/step Wall: 13192.3, 0.00295519/step, 0.500247 hours remaining, 210.101562 MB of memory in use. ENERGY: 4390600 724.6434 2094.8423 1912.7755 117.5994 -205807.4015 17438.8231 0.0000 0.0000 34558.2760 -148960.4418 301.8060 -183518.7178 -148868.2870 299.9561 -176.8175 -143.4469 558125.9368 -1.1058 -1.1295 PRESSURE: 4390800 -138.048 112.138 -60.7453 112.138 151.747 -20.6866 -60.7463 -20.6854 77.8337 GPRESSURE: 4390800 -95.7992 82.4433 21.2042 129.849 176.889 33.4417 -136.356 28.4483 102.168 PRESSAVG: 4390800 27.4535 17.0021 -12.7694 17.0021 1.575 -48.5225 -12.7694 -48.5225 -8.03357 GPRESSAVG: 4390800 27.7217 15.9483 -13.0558 18.2918 0.532699 -48.376 -12.8358 -48.6242 -7.55655 TIMING: 4390800 CPU: 13192.9, 0.00296279/step Wall: 13192.9, 0.00296279/step, 0.50137 hours remaining, 210.101562 MB of memory in use. ENERGY: 4390800 774.9497 2061.4232 1990.1808 109.4077 -206306.6486 17779.1708 0.0000 0.0000 34762.0516 -148829.4648 303.5856 -183591.5164 -148736.9395 299.4077 30.5108 61.0857 557842.8717 6.9983 6.8993 PRESSURE: 4391000 91.6152 92.2081 11.5955 92.2083 41.4598 108.628 11.5964 108.628 216.1 GPRESSURE: 4391000 113.11 80.0601 -35.3799 59.4783 114.06 142.542 83.0518 74.9 227.454 PRESSAVG: 4391000 -16.2312 -64.1879 -25.7326 -64.188 47.4394 -29.7542 -25.7326 -29.7542 -43.833 GPRESSAVG: 4391000 -16.8883 -60.9696 -23.1648 -67.748 47.9 -29.7524 -28.2006 -31.4177 -42.9208 TIMING: 4391000 CPU: 13193.5, 0.00299322/step Wall: 13193.5, 0.00299322/step, 0.506353 hours remaining, 210.101562 MB of memory in use. ENERGY: 4391000 752.5091 2123.3468 1952.0537 105.0512 -205950.0980 17881.0956 0.0000 0.0000 34248.4479 -148887.5936 299.1002 -183136.0415 -148791.1716 300.9720 116.3915 151.5412 557966.3658 -4.2083 -3.9697 PRESSURE: 4391200 -111.273 54.3977 124.162 54.3988 -126.146 -55.8426 124.162 -55.8434 82.1734 GPRESSURE: 4391200 -59.8637 74.8417 122 78.4991 -106.689 46.6671 206.233 -143.322 115.772 PRESSAVG: 4391200 -26.8151 -14.4597 12.8485 -14.4597 19.4148 -87.0482 12.8485 -87.0482 -44.7221 GPRESSAVG: 4391200 -26.8592 -15.9519 10.3775 -12.4625 19.5054 -86.708 15.0074 -84.7614 -44.881 TIMING: 4391200 CPU: 13194.1, 0.00297409/step Wall: 13194.1, 0.00297409/step, 0.502951 hours remaining, 210.101562 MB of memory in use. ENERGY: 4391200 747.2668 2064.2702 1939.2117 107.9663 -205851.6216 17786.5255 0.0000 0.0000 34151.6352 -149054.7458 298.2547 -183206.3811 -148959.9333 299.6852 -51.7485 -16.9270 559095.5214 -17.3741 -17.4116 PRESSURE: 4391400 33.6881 125.089 -10.3219 125.088 8.4022 -7.38148 -10.3207 -7.38216 -139.061 GPRESSURE: 4391400 57.8671 46.5352 81.2816 192.701 35.0243 -78.7392 -181.484 -26.9855 -78.5543 PRESSAVG: 4391400 17.2895 -22.218 36.394 -22.218 0.981013 -44.5012 36.3942 -44.5011 -37.7681 GPRESSAVG: 4391400 17.5218 -21.2868 36.6186 -24.792 1.82595 -45.3269 35.556 -43.8006 -38.4955 TIMING: 4391400 CPU: 13194.7, 0.00297852/step Wall: 13194.7, 0.00297852/step, 0.503535 hours remaining, 210.101562 MB of memory in use. ENERGY: 4391400 744.3124 2135.3599 1937.3069 109.7011 -205976.4299 17687.1550 0.0000 0.0000 34155.2519 -149207.3427 298.2863 -183362.5946 -149105.2380 299.3466 -32.3237 4.7790 558099.8843 -6.4992 -6.3826 PRESSURE: 4391600 -157.735 1.43499 61.5513 1.43301 -120.767 130.307 61.5517 130.307 137.879 GPRESSURE: 4391600 -106.411 -22.8542 71.588 107.147 -48.8185 85.1645 35.8971 181.885 110.626 PRESSAVG: 4391600 53.2785 6.32285 -43.6911 6.32276 -46.35 3.67827 -43.6911 3.67837 21.5715 GPRESSAVG: 4391600 51.6895 4.80236 -43.258 6.76016 -46.1715 4.57898 -42.784 2.11639 22.2286 TIMING: 4391600 CPU: 13195.3, 0.00295906/step Wall: 13195.3, 0.00295906/step, 0.500082 hours remaining, 210.101562 MB of memory in use. ENERGY: 4391600 757.7486 2097.2911 1924.0157 113.4218 -206118.5544 17748.7782 0.0000 0.0000 34252.6222 -149224.6768 299.1367 -183477.2990 -149123.6974 299.5114 -46.8742 -14.8675 556942.5991 9.5000 9.2489 PRESSURE: 4391800 134.88 -10.29 -181.662 -10.2892 128.425 -132.37 -181.662 -132.369 -185.885 GPRESSURE: 4391800 122.488 8.44524 -140.438 -81.7412 182.408 -153.898 -198.156 -146.888 -139.152 PRESSAVG: 4391800 12.0622 29.9862 -31.2904 29.9861 -2.8387 -9.5264 -31.2904 -9.52637 4.21964 GPRESSAVG: 4391800 12.9135 30.7612 -31.5935 30.1093 -3.71967 -11.4075 -31.5109 -7.70611 4.60341 TIMING: 4391800 CPU: 13195.9, 0.00298624/step Wall: 13195.9, 0.00298624/step, 0.504509 hours remaining, 210.101562 MB of memory in use. ENERGY: 4391800 762.4518 2104.0575 1954.2512 99.3552 -206269.3151 17789.4873 0.0000 0.0000 34178.1662 -149381.5461 298.4864 -183559.7123 -149291.9495 298.9544 25.8064 55.2480 555722.3224 4.4811 4.5991 PRESSURE: 4392000 245.42 -290.24 200.443 -290.239 169.884 1.56409 200.445 1.56617 60.502 GPRESSURE: 4392000 311.76 -305.87 154.031 -249.497 182.067 -2.23063 198.029 -22.1531 79.5247 PRESSAVG: 4392000 -3.79259 -7.2983 -17.0316 -7.29831 26.7752 -14.2749 -17.0316 -14.275 -1.03732 GPRESSAVG: 4392000 -3.11456 -7.57014 -15.4732 -7.19645 25.4996 -15.173 -16.1702 -13.8262 -1.00041 TIMING: 4392000 CPU: 13196.5, 0.00295376/step Wall: 13196.5, 0.00295376/step, 0.498857 hours remaining, 210.101562 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: 4392000 718.9856 2133.0996 1916.8512 109.4606 -206600.5666 18070.6083 0.0000 0.0000 34280.4228 -149371.1385 299.3795 -183651.5613 -149275.3647 298.9896 158.6020 191.1172 558122.9969 7.3151 7.1282 PRESSURE: 4392200 -105.659 27.3658 31.5395 27.3666 -189.803 -216.523 31.5401 -216.524 -53.2872 GPRESSURE: 4392200 0.992489 33.1961 12.9392 73.6408 -206.166 -200.043 61.8014 -228.656 -52.468 PRESSAVG: 4392200 37.788 14.7511 2.46454 14.7511 -12.9513 -34.3662 2.46458 -34.3661 -3.11538 GPRESSAVG: 4392200 38.8343 15.8101 2.69784 14.903 -11.8088 -34.5263 1.2132 -34.9917 -5.27959 TIMING: 4392200 CPU: 13197.1, 0.00295286/step Wall: 13197.1, 0.00295286/step, 0.498541 hours remaining, 210.101562 MB of memory in use. ENERGY: 4392200 745.3749 2112.4530 1951.5695 114.7829 -206424.1314 17930.6869 0.0000 0.0000 34237.4356 -149331.8287 299.0040 -183569.2643 -149232.3014 298.9410 -116.2496 -85.8804 559169.0013 7.2404 7.2486 LDB: ============= START OF LOAD BALANCING ============== 13200.6 LDB: ============== END OF LOAD BALANCING =============== 13200.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13200.6 LDB: ============= START OF LOAD BALANCING ============== 13200.9 LDB: Largest compute 4773 load 0.027117 is 23.0% of average load 0.118122 LDB: Average compute 0.001732 is 1.5% of average load 0.118122 LDB: TIME 13200.9 LOAD: AVG 0.118122 MAX 0.204344 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.344 MB LDB: TIME 13200.9 LOAD: AVG 0.118122 MAX 0.204344 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.344 MB LDB: TIME 13200.9 LOAD: AVG 0.118122 MAX 0.204344 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.344 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13200.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13200.9 PRESSURE: 4392400 97.7981 61.3682 -0.473843 61.3686 -159.028 -40.4906 -0.473891 -40.4909 0.897209 GPRESSURE: 4392400 113.507 37.8116 76.2897 83.3943 -154.335 -40.6863 -22.0659 -36.2938 62.7287 PRESSAVG: 4392400 42.9162 16.7695 37.2499 16.7694 12.0096 -3.27277 37.2499 -3.27284 -63.3817 GPRESSAVG: 4392400 41.7219 15.0894 38.3584 17.3923 11.263 -1.5384 36.9091 -4.48721 -61.5268 TIMING: 4392400 CPU: 13197.7, 0.00299243/step Wall: 13197.7, 0.00299244/step, 0.505057 hours remaining, 209.667969 MB of memory in use. ENERGY: 4392400 767.6486 2106.9815 1980.0888 105.2202 -206846.9074 17960.0457 0.0000 0.0000 34498.3131 -149428.6095 301.2823 -183926.9226 -149330.6162 298.6871 -20.1110 7.3003 557989.4853 -2.8186 -2.8473 PRESSURE: 4392600 -114.426 -97.3289 56.9027 -97.329 -11.0784 -101.108 56.9037 -101.107 -89.4862 GPRESSURE: 4392600 -120.687 -92.5529 54.1141 -113.122 92.0261 4.58345 -1.77801 -139.069 -79.9312 PRESSAVG: 4392600 47.472 33.5422 48.2111 33.5422 12.7717 -35.6818 48.211 -35.6818 -20.4939 GPRESSAVG: 4392600 46.1463 35.0636 47.7915 32.9171 13.8368 -34.1734 48.7239 -37.1991 -20.2304 TIMING: 4392600 CPU: 13198.3, 0.00294695/step Wall: 13198.3, 0.00294695/step, 0.497216 hours remaining, 209.667969 MB of memory in use. ENERGY: 4392600 765.9893 2134.8083 1968.1514 111.8692 -206774.8650 17928.9403 0.0000 0.0000 34235.9398 -149629.1667 298.9910 -183865.1065 -149529.1914 299.4698 -71.6635 -36.1974 557153.6232 13.2499 13.2509 PRESSURE: 4392800 -160.276 -104.944 -316.047 -104.944 -182.701 -1.52761 -316.046 -1.52799 -273.178 GPRESSURE: 4392800 -142.939 -43.7155 -316.837 -95.7094 -131.79 -21.0308 -236.108 -114.278 -242.131 PRESSAVG: 4392800 47.6139 5.86514 -20.4303 5.86514 -35.2252 -7.73854 -20.4303 -7.7385 2.52492 GPRESSAVG: 4392800 47.7887 4.93267 -20.0536 5.58934 -36.2013 -8.61384 -20.7632 -7.12369 2.62725 TIMING: 4392800 CPU: 13198.8, 0.00296296/step Wall: 13198.8, 0.00296296/step, 0.499753 hours remaining, 209.667969 MB of memory in use. ENERGY: 4392800 770.8883 2149.4502 1958.4657 123.0913 -206216.3811 17637.6258 0.0000 0.0000 33917.2532 -149659.6065 296.2078 -183576.8597 -149565.5811 298.6815 -205.3850 -172.2865 556732.8248 4.9712 4.7382 PRESSURE: 4393000 0.761936 32.0213 -65.1682 32.0197 -582.225 7.18711 -65.1668 7.18863 -254.62 GPRESSURE: 4393000 -9.70301 61.9439 -68.8092 -26.6268 -517.089 -145.687 -74.73 27.0865 -205.723 PRESSAVG: 4393000 -21.7069 -27.5511 -17.148 -27.551 -35.0126 24.9224 -17.1479 24.9223 87.0821 GPRESSAVG: 4393000 -20.3628 -25.9637 -17.8167 -26.8192 -34.7731 23.266 -17.5945 23.9177 85.7416 TIMING: 4393000 CPU: 13199.4, 0.00296142/step Wall: 13199.4, 0.00296142/step, 0.499328 hours remaining, 209.667969 MB of memory in use. ENERGY: 4393000 763.6935 2086.6549 1947.2197 113.2148 -206315.0237 17665.5726 0.0000 0.0000 34125.2238 -149613.4446 298.0241 -183738.6683 -149520.6662 298.7722 -278.6943 -244.1718 558784.8039 10.1208 10.2019 PRESSURE: 4393200 -27.8496 -93.4824 -59.4262 -93.481 -214.751 149.358 -59.4256 149.359 -74.7552 GPRESSURE: 4393200 23.3306 -182.35 -11.3254 -79.6308 -246.087 37.2771 -57.4269 211.23 -0.678598 PRESSAVG: 4393200 19.4512 -18.4451 10.0713 -18.445 -16.3052 54.1079 10.0713 54.1078 -20.0383 GPRESSAVG: 4393200 18.8469 -20.3131 7.94747 -19.1432 -17.2948 57.2798 12.3482 55.5217 -18.6762 TIMING: 4393200 CPU: 13200, 0.00296478/step Wall: 13200, 0.00296478/step, 0.49973 hours remaining, 209.871094 MB of memory in use. ENERGY: 4393200 752.7309 2092.3652 1946.0430 107.5762 -206492.2320 17905.5488 0.0000 0.0000 34000.4248 -149687.5430 296.9342 -183687.9678 -149581.3737 297.8959 -105.7852 -74.4785 558375.0590 -5.6308 -5.7080 PRESSURE: 4393400 -116.931 -9.79807 -72.4808 -9.79946 212.643 -58.937 -72.4802 -58.9375 77.3237 GPRESSURE: 4393400 -25.5526 -13.5123 9.2877 80.7541 171.608 18.8455 -32.8448 -128.422 137.622 PRESSAVG: 4393400 41.3478 -12.5864 -29.3561 -12.5865 -19.9981 -32.9236 -29.3562 -32.9237 -23.0247 GPRESSAVG: 4393400 41.573 -12.5263 -27.0136 -13.0242 -18.7413 -35.1667 -31.2575 -32.6677 -24.2464 TIMING: 4393400 CPU: 13200.6, 0.00297183/step Wall: 13200.6, 0.00297183/step, 0.500754 hours remaining, 209.871094 MB of memory in use. ENERGY: 4393400 753.8793 2132.5502 1944.5557 114.2481 -206681.0693 18140.8186 0.0000 0.0000 34061.3892 -149533.6281 297.4666 -183595.0173 -149435.6343 297.6463 57.6785 94.5592 557905.7545 -0.5583 -0.4716 PRESSURE: 4393600 -37.9508 -10.3932 190.868 -10.3938 -110.412 -128.915 190.866 -128.914 32.7811 GPRESSURE: 4393600 12.0366 -7.49713 189.424 -94.9462 -48.2279 -105.575 181.775 -122.687 26.471 PRESSAVG: 4393600 -18.0566 -43.88 49.8569 -43.8799 3.85416 -51.1955 49.8569 -51.1954 19.9933 GPRESSAVG: 4393600 -17.7676 -43.2643 48.0906 -44.8561 4.05605 -51.1975 50.5503 -51.3852 18.9704 TIMING: 4393600 CPU: 13201.2, 0.00293752/step Wall: 13201.2, 0.00293752/step, 0.494809 hours remaining, 209.871094 MB of memory in use. ENERGY: 4393600 749.0574 2076.4691 1935.6587 118.9006 -206291.6396 17865.5872 0.0000 0.0000 33989.2183 -149556.7482 296.8363 -183545.9666 -149463.6454 298.3666 -38.5272 -3.2401 557893.8757 1.9303 1.7530 PRESSURE: 4393800 -30.2898 -101.913 112.756 -101.912 30.1174 -8.32385 112.755 -8.32297 132.769 GPRESSURE: 4393800 55.3566 -1.71089 164.986 -114.772 25.508 61.2609 20.7735 -85.7019 149.889 PRESSAVG: 4393800 -36.3246 -17.5432 22.5541 -17.5432 18.9766 -62.7137 22.5541 -62.7138 34.9205 GPRESSAVG: 4393800 -35.5775 -18.7344 24.5124 -16.9776 18.0344 -62.0629 21.0034 -62.4791 34.9784 TIMING: 4393800 CPU: 13201.8, 0.00294926/step Wall: 13201.8, 0.00294926/step, 0.496622 hours remaining, 209.871094 MB of memory in use. ENERGY: 4393800 765.8824 2104.4476 1922.3871 114.8251 -206418.9357 17948.5368 0.0000 0.0000 33990.0934 -149572.7633 296.8439 -183562.8567 -149481.9709 297.9014 44.1989 76.9179 557150.2978 5.8575 5.8118 PRESSURE: 4394000 -185.585 -42.1753 -9.17177 -42.1745 -147.345 15.5678 -9.17278 15.567 -137.75 GPRESSURE: 4394000 -129.939 -131.096 3.19001 10.8252 -134.145 -66.6322 26.4448 116.957 -109.942 PRESSAVG: 4394000 -64.7001 -18.2874 -24.5561 -18.2874 -10.405 -36.7828 -24.5561 -36.7827 48.467 GPRESSAVG: 4394000 -64.7051 -17.5554 -27.507 -18.5491 -10.5731 -37.0823 -23.1413 -35.6593 49.0143 TIMING: 4394000 CPU: 13202.4, 0.00296924/step Wall: 13202.4, 0.00296924/step, 0.499822 hours remaining, 209.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4394000 718.4564 2075.0613 1906.7873 128.5893 -205990.6254 17483.6729 0.0000 0.0000 33988.5134 -149689.5448 296.8301 -183678.0582 -149590.1726 297.9545 -156.8931 -124.6755 557592.0182 -8.8794 -8.7546 PRESSURE: 4394200 -268.418 -2.84105 205.553 -2.83994 13.3925 -2.6024 205.553 -2.60135 54.9712 GPRESSURE: 4394200 -202.585 7.38863 229.309 0.427242 4.769 18.6546 140.643 -31.2945 103.147 PRESSAVG: 4394200 -26.1497 8.17043 -2.08016 8.17046 3.95482 -25.9182 -2.08025 -25.918 49.4214 GPRESSAVG: 4394200 -27.3881 8.49425 1.85965 9.23644 4.11377 -24.9294 -3.91907 -27.6364 50.5177 TIMING: 4394200 CPU: 13203, 0.00296305/step Wall: 13203, 0.00296305/step, 0.498616 hours remaining, 209.871094 MB of memory in use. ENERGY: 4394200 756.8068 2105.4323 1933.8835 118.1098 -206596.8971 17926.7166 0.0000 0.0000 34172.8410 -149583.1072 298.4399 -183755.9482 -149488.5113 297.9442 -66.6848 -31.5562 556495.4116 9.0755 9.0811 PRESSURE: 4394400 -140.655 -254.094 -42.1656 -254.095 51.2402 -111.081 -42.166 -111.083 -114.115 GPRESSURE: 4394400 -54.7905 -247.018 -60.6267 -209.495 54.3939 -19.4145 -5.36851 -158.516 -92.8208 PRESSAVG: 4394400 -48.1345 -41.742 -22.1237 -41.7421 -22.5291 44.5328 -22.1236 44.5328 42.4972 GPRESSAVG: 4394400 -48.1534 -42.5089 -25.2801 -41.2823 -22.5206 45.5167 -19.5389 44.2766 42.4722 TIMING: 4394400 CPU: 13203.6, 0.00293491/step Wall: 13203.6, 0.00293491/step, 0.493717 hours remaining, 209.871094 MB of memory in use. ENERGY: 4394400 763.2042 2106.9216 1937.6680 107.4841 -206247.7935 17805.9994 0.0000 0.0000 33947.3499 -149579.1663 296.4706 -183526.5161 -149479.5051 298.2897 -67.8435 -31.0725 558568.8774 -9.3888 -9.4006 PRESSURE: 4394600 -200.879 230.413 198.163 230.412 -4.03836 118.132 198.165 118.135 76.218 GPRESSURE: 4394600 -162.584 197.526 86.1381 194.795 43.9413 115.143 194.825 141.899 85.739 PRESSAVG: 4394600 14.5827 13.6012 -16.8293 13.6011 -8.44864 46.3592 -16.8292 46.3591 5.96221 GPRESSAVG: 4394600 14.517 14.4333 -16.2848 13.3066 -6.75141 46.5433 -17.6451 45.669 3.71259 TIMING: 4394600 CPU: 13204.2, 0.00293013/step Wall: 13204.2, 0.00293013/step, 0.49275 hours remaining, 209.871094 MB of memory in use. ENERGY: 4394600 720.6945 2081.4746 1942.4910 119.9591 -206397.6382 17676.6746 0.0000 0.0000 34260.9421 -149595.4023 299.2093 -183856.3443 -149494.8237 298.4623 -42.8998 -10.9680 556114.4320 4.0321 3.8261 PRESSURE: 4394800 -238.426 -252.727 59.263 -252.727 163.458 -50.4759 59.2631 -50.4747 -105.626 GPRESSURE: 4394800 -237.263 -301.157 105.279 -172.543 233.131 -156.895 109.793 -15.5592 -85.2126 PRESSAVG: 4394800 -118.06 -35.1048 52.6459 -35.1049 87.287 -47.4119 52.6459 -47.4119 35.0206 GPRESSAVG: 4394800 -118.272 -34.4082 54.1632 -33.6719 86.8128 -49.0554 52.5552 -48.3074 35.6475 TIMING: 4394800 CPU: 13204.8, 0.00294472/step Wall: 13204.8, 0.00294472/step, 0.49504 hours remaining, 209.871094 MB of memory in use. ENERGY: 4394800 695.1120 2091.1834 1973.2601 120.4763 -206550.0733 17808.5106 0.0000 0.0000 34323.0198 -149538.5111 299.7515 -183861.5309 -149453.5046 298.6575 -60.1980 -29.7816 556394.2565 1.4159 1.3960 PRESSURE: 4395000 125.013 -74.1025 -10.716 -74.1024 -18.9943 -54.9229 -10.7152 -54.9234 -281.589 GPRESSURE: 4395000 141.408 -52.1025 71.941 13.6525 16.3495 -64.0216 -30.019 -35.7238 -222.95 PRESSAVG: 4395000 -12.1518 -20.5199 -2.76563 -20.5199 20.277 -63.6277 -2.76562 -63.6277 -4.36555 GPRESSAVG: 4395000 -11.8761 -18.3566 -4.22488 -22.782 18.2203 -63.7785 -2.59273 -62.8402 -2.381 TIMING: 4395000 CPU: 13205.3, 0.00296227/step Wall: 13205.3, 0.00296227/step, 0.497826 hours remaining, 209.871094 MB of memory in use. ENERGY: 4395000 743.1291 2117.5909 1923.6221 102.4625 -206547.7624 17709.0591 0.0000 0.0000 34358.3317 -149593.5670 300.0599 -183951.8986 -149494.2134 299.0174 -58.5233 -21.7308 556256.2093 1.2532 1.3210 PRESSURE: 4395200 176.84 -26.5791 115.465 -26.5806 -135.206 34.5628 115.464 34.5638 77.0437 GPRESSURE: 4395200 264.674 -16.2887 140.89 -9.84363 -116.258 31.7605 111.551 43.4348 51.7407 PRESSAVG: 4395200 42.6351 34.1532 -43.4437 34.1531 3.06919 -16.8561 -43.4437 -16.856 -15.4184 GPRESSAVG: 4395200 43.5149 31.7462 -40.685 34.4394 4.47889 -17.4444 -44.9935 -14.2391 -17.7599 TIMING: 4395200 CPU: 13205.9, 0.00294393/step Wall: 13205.9, 0.00294393/step, 0.494581 hours remaining, 209.871094 MB of memory in use. ENERGY: 4395200 761.1705 2127.7803 1964.0828 111.0700 -206816.4141 17970.6474 0.0000 0.0000 34351.9218 -149529.7413 300.0039 -183881.6631 -149438.3647 298.8530 39.5592 66.7187 556342.7693 10.0953 10.0780 PRESSURE: 4395400 -127.528 -32.8285 32.272 -32.8282 60.5331 -75.6391 32.2734 -75.6398 -46.2168 GPRESSURE: 4395400 -91.9981 -36.2711 -7.63766 34.227 75.5795 -114.029 126.742 -58.5024 -7.02839 PRESSAVG: 4395400 42.2731 36.9403 29.3395 36.9404 -26.7725 0.703633 29.3396 0.703566 -32.1957 GPRESSAVG: 4395400 41.4965 34.4936 28.6039 37.6321 -27.7539 0.92423 29.211 -0.818803 -30.8548 TIMING: 4395400 CPU: 13206.5, 0.00296205/step Wall: 13206.5, 0.00296205/step, 0.49746 hours remaining, 209.871094 MB of memory in use. ENERGY: 4395400 701.9394 2155.1872 1952.7309 118.0627 -206341.5840 17778.4482 0.0000 0.0000 34048.3099 -149586.9056 297.3524 -183635.2155 -149492.2025 298.5068 -37.7371 -7.8156 558336.2383 -5.5650 -5.7041 PRESSURE: 4395600 -40.5676 158.56 49.6404 158.559 104.061 13.053 49.6398 13.0538 65.9378 GPRESSURE: 4395600 -7.17327 199.869 -15.5292 133.402 155.749 -50.4956 -46.4327 -10.9262 72.6907 PRESSAVG: 4395600 -31.8232 0.355638 3.37878 0.355743 45.0786 -17.6067 3.37877 -17.6068 -18.5221 GPRESSAVG: 4395600 -31.4721 0.865888 3.57211 -0.577177 44.7465 -18.0808 4.49487 -15.2066 -18.476 TIMING: 4395600 CPU: 13207.1, 0.00296871/step Wall: 13207.1, 0.00296872/step, 0.498414 hours remaining, 209.871094 MB of memory in use. ENERGY: 4395600 746.4997 2128.8213 1956.4576 107.5904 -206636.9829 18010.8410 0.0000 0.0000 34155.3097 -149531.4633 298.2868 -183686.7730 -149437.2026 298.3192 43.1436 73.7555 557396.3766 -1.7556 -1.7338 PRESSURE: 4395800 101.438 87.1737 58.7293 87.1743 313.854 104.893 58.7287 104.893 -19.9768 GPRESSURE: 4395800 153.615 42.8609 104.055 48.9138 332.48 128.643 20.4169 45.6882 5.6544 PRESSAVG: 4395800 -2.01075 -29.8776 -13.4486 -29.8775 100.254 -36.4164 -13.4486 -36.4164 -27.5915 GPRESSAVG: 4395800 -1.41818 -27.8065 -15.0525 -32.2111 101.005 -32.8124 -14.683 -38.001 -28.9116 TIMING: 4395800 CPU: 13207.7, 0.00296335/step Wall: 13207.7, 0.00296335/step, 0.497349 hours remaining, 209.871094 MB of memory in use. ENERGY: 4395800 746.1378 2093.9843 1946.5785 128.0621 -206719.8433 18088.0004 0.0000 0.0000 34185.0363 -149532.0439 298.5464 -183717.0803 -149434.1413 298.3113 131.7719 163.9165 557653.8739 23.5505 23.5584 PRESSURE: 4396000 108.65 -78.4668 -80.4176 -78.4665 -49.2199 232.695 -80.4167 232.697 4.40806 GPRESSURE: 4396000 129.616 -62.2954 -46.9249 -34.367 -48.5401 248.364 -114.003 251.318 61.1096 PRESSAVG: 4396000 18.1364 -9.10833 -26.9436 -9.10828 -96.8337 14.5436 -26.9437 14.5438 62.0092 GPRESSAVG: 4396000 17.3554 -9.81786 -26.0268 -5.63252 -96.0848 11.8611 -24.6178 14.484 62.2489 TIMING: 4396000 CPU: 13208.3, 0.0029695/step Wall: 13208.3, 0.0029695/step, 0.498216 hours remaining, 209.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4396000 798.8783 2086.9426 1940.5613 120.1395 -206660.9503 17832.9931 0.0000 0.0000 34367.5101 -149513.9253 300.1400 -183881.4354 -149426.1131 299.0121 21.2795 47.3950 557523.7597 -5.5627 -5.4935 PRESSURE: 4396200 -192.623 -1.55531 -54.7287 -1.55367 -178.357 35.9499 -54.7295 35.9495 54.1084 GPRESSURE: 4396200 -165.735 -51.3341 -126.037 -48.0856 -142.354 2.14009 -93.165 26.0984 95.7036 PRESSAVG: 4396200 -35.4325 -11.1574 24.7951 -11.1575 -13.1327 3.71418 24.7951 3.7142 24.2215 GPRESSAVG: 4396200 -35.2591 -11.0348 26.2206 -13.1481 -13.5876 2.92771 21.0273 3.74632 24.8768 TIMING: 4396200 CPU: 13208.9, 0.0029659/step Wall: 13208.9, 0.0029659/step, 0.497447 hours remaining, 209.871094 MB of memory in use. ENERGY: 4396200 791.9397 2126.5611 1926.0426 114.1450 -206344.3833 17898.6016 0.0000 0.0000 34144.3363 -149342.7569 298.1910 -183487.0932 -149244.0492 298.5012 -105.6238 -70.7953 556527.6481 -8.1146 -7.9899 LDB: ============= START OF LOAD BALANCING ============== 13212.4 LDB: ============== END OF LOAD BALANCING =============== 13212.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13212.4 LDB: ============= START OF LOAD BALANCING ============== 13212.7 LDB: Largest compute 4772 load 0.026913 is 22.8% of average load 0.118158 LDB: Average compute 0.001735 is 1.5% of average load 0.118158 LDB: TIME 13212.7 LOAD: AVG 0.118158 MAX 0.206941 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.918 MB LDB: TIME 13212.7 LOAD: AVG 0.118158 MAX 0.206941 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.922 MB LDB: TIME 13212.7 LOAD: AVG 0.118158 MAX 0.206941 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.922 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13212.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13212.7 PRESSURE: 4396400 -84.2329 61.5605 -30.658 61.5617 74.0085 -114.904 -30.6578 -114.905 -130.084 GPRESSURE: 4396400 -71.8664 91.8087 -63.3509 86.4589 126.751 -95.4794 10.6805 -84.1348 -103.523 PRESSAVG: 4396400 -25.7573 -38.6029 5.26686 -38.603 50.3445 45.553 5.26691 45.5531 -6.30528 GPRESSAVG: 4396400 -25.6981 -40.0088 5.12823 -37.8525 49.9247 45.6496 8.44568 45.039 -5.86293 TIMING: 4396400 CPU: 13209.5, 0.00299179/step Wall: 13209.5, 0.00299179/step, 0.501623 hours remaining, 208.976562 MB of memory in use. ENERGY: 4396400 780.8378 2019.8630 1933.9257 113.1982 -206411.7338 17977.9985 0.0000 0.0000 34129.2220 -149456.6886 298.0590 -183585.9106 -149354.4545 298.9531 -46.7693 -16.2126 556855.9096 6.0940 6.1212 PRESSURE: 4396600 19.8799 51.0848 163.765 51.083 -7.99971 -44.8092 163.765 -44.809 56.4032 GPRESSURE: 4396600 115.46 101.959 287.687 -22.9878 -8.80838 -191.937 61.3198 -46.5865 53.6138 PRESSAVG: 4396600 -19.5168 62.3595 29.8455 62.3594 23.3745 29.4656 29.8455 29.4655 3.23817 GPRESSAVG: 4396600 -18.6458 63.8534 29.2794 62.8802 24.1549 28.7913 28.9128 29.4451 1.82509 TIMING: 4396600 CPU: 13210.1, 0.00293178/step Wall: 13210.1, 0.00293178/step, 0.491399 hours remaining, 209.179688 MB of memory in use. ENERGY: 4396600 747.7238 2076.2961 1948.0655 109.6388 -206403.0630 18010.0335 0.0000 0.0000 34173.4707 -149337.8345 298.4454 -183511.3052 -149233.8896 298.7730 22.7611 53.4219 558655.9043 2.3653 2.4447 PRESSURE: 4396800 20.9712 -124.888 45.4333 -124.888 -206.633 170.804 45.4336 170.804 -79.0149 GPRESSURE: 4396800 59.4091 -116.509 74.7803 -88.5218 -160.158 183.664 53.6163 130.227 -77.8968 PRESSAVG: 4396800 -11.6846 -11.8321 -11.504 -11.832 -15.7974 35.0235 -11.5041 35.0234 6.68759 GPRESSAVG: 4396800 -10.9434 -11.0147 -12.2951 -12.5687 -15.5453 36.5052 -11.8813 33.0508 5.66351 TIMING: 4396800 CPU: 13210.7, 0.00292999/step Wall: 13210.7, 0.00292999/step, 0.490936 hours remaining, 209.179688 MB of memory in use. ENERGY: 4396800 701.8516 2138.8460 1929.6669 114.7748 -206404.7259 17763.7352 0.0000 0.0000 34393.6695 -149362.1820 300.3685 -183755.8515 -149267.7293 298.5091 -88.2256 -59.5484 558460.4690 -6.9315 -6.9418 PRESSURE: 4397000 -56.7267 120.536 27.8556 120.535 -71.293 62.8981 27.8555 62.8977 -162.45 GPRESSURE: 4397000 -44.7871 -54.4904 34.9593 114.048 -46.2555 107.861 32.383 71.8681 -99.5442 PRESSAVG: 4397000 55.2273 1.25377 20.7186 1.25381 -43.6571 26.7053 20.7187 26.7052 -19.1297 GPRESSAVG: 4397000 54.3422 -0.994692 19.0484 1.08131 -44.7137 26.9821 22.8599 27.9882 -17.6406 TIMING: 4397000 CPU: 13211.3, 0.00294219/step Wall: 13211.3, 0.00294219/step, 0.492817 hours remaining, 209.179688 MB of memory in use. ENERGY: 4397000 801.6713 2129.8976 1928.5722 116.4503 -206653.3063 17929.6551 0.0000 0.0000 34212.0717 -149534.9881 298.7825 -183747.0598 -149437.8625 298.2232 -96.8233 -63.5290 557602.0866 -2.5198 -2.6707 PRESSURE: 4397200 -76.0376 -34.0113 -30.8366 -34.0106 -79.7709 76.8463 -30.8371 76.8466 -128.366 GPRESSURE: 4397200 -38.3424 -36.6101 -35.4357 -148.365 -21.77 104.798 13.9804 59.428 -123.553 PRESSAVG: 4397200 25.7324 -7.8611 -42.4564 -7.86108 -43.6637 -31.5361 -42.4565 -31.5361 -23.4159 GPRESSAVG: 4397200 24.4198 -6.61956 -42.0477 -7.55754 -43.1912 -33.2724 -44.0571 -29.639 -22.446 TIMING: 4397200 CPU: 13211.9, 0.00295598/step Wall: 13211.9, 0.00295598/step, 0.494962 hours remaining, 209.179688 MB of memory in use. ENERGY: 4397200 761.2768 2087.1267 1948.5975 110.2911 -206670.0476 17834.2151 0.0000 0.0000 34382.9281 -149545.6123 300.2747 -183928.5404 -149447.9513 298.0950 -94.7249 -61.2218 557572.0992 -13.7824 -13.7391 PRESSURE: 4397400 71.6217 62.8349 -48.697 62.8356 135.703 33.1307 -48.6975 33.1307 15.3162 GPRESSURE: 4397400 135.228 -17.0293 -42.565 81.5098 124.295 9.33006 -34.1713 6.73473 50.3631 PRESSAVG: 4397400 -22.1702 11.1379 -34.1608 11.1379 -7.52315 55.7108 -34.1608 55.7108 20.3607 GPRESSAVG: 4397400 -20.2888 10.0928 -34.9272 11.9017 -8.39846 58.0659 -33.9145 52.2462 19.2818 TIMING: 4397400 CPU: 13212.4, 0.00298699/step Wall: 13212.4, 0.00298699/step, 0.499989 hours remaining, 209.382812 MB of memory in use. ENERGY: 4397400 729.9704 2080.3579 1950.9555 115.3844 -206278.8653 17757.9428 0.0000 0.0000 34213.7392 -149430.5151 298.7971 -183644.2543 -149328.3952 298.2353 74.2135 103.2953 555232.6767 -3.1109 -3.1351 PRESSURE: 4397600 49.3679 127.228 -188.682 127.225 -38.4199 95.2278 -188.681 95.2262 -128.79 GPRESSURE: 4397600 143.995 91.7951 -171.698 39.2412 -103.639 65.7456 -227.557 67.2219 -63.257 PRESSAVG: 4397600 -1.30353 13.3738 3.35879 13.3739 -37.4169 59.8827 3.35874 59.8827 52.5168 GPRESSAVG: 4397600 -3.44681 15.4182 3.92014 11.7255 -37.181 59.808 3.51525 60.7216 54.256 TIMING: 4397600 CPU: 13213, 0.00297495/step Wall: 13213, 0.00297495/step, 0.497808 hours remaining, 209.382812 MB of memory in use. ENERGY: 4397600 753.2560 2108.4509 1916.2381 105.4956 -206565.1379 17798.3272 0.0000 0.0000 34384.9850 -149498.3850 300.2926 -183883.3700 -149400.0273 298.9504 -39.2807 -7.6338 557396.3679 4.5988 4.5427 PRESSURE: 4397800 105.467 -125.733 98.4937 -125.734 -313.618 -7.74064 98.4951 -7.7403 -20.3565 GPRESSURE: 4397800 158.902 -122.186 34.8811 -71.4583 -286.799 -59.2054 91.5844 -32.7072 2.01179 PRESSAVG: 4397800 83.4223 30.5414 -24.8534 30.5413 -52.0946 -0.527275 -24.8534 -0.527303 -4.3207 GPRESSAVG: 4397800 84.3181 28.8196 -23.0267 30.2725 -51.5712 -1.85326 -26.5867 1.26008 -5.26463 TIMING: 4397800 CPU: 13213.6, 0.00297073/step Wall: 13213.6, 0.00297073/step, 0.496938 hours remaining, 209.382812 MB of memory in use. ENERGY: 4397800 729.5354 2052.9935 1924.7706 122.8321 -206238.2545 17673.7106 0.0000 0.0000 34125.1076 -149609.3047 298.0231 -183734.4124 -149509.0385 298.2038 -76.1692 -41.9619 556373.1434 9.0023 9.1608 PRESSURE: 4398000 -340.657 6.74092 28.1183 6.7422 -348.488 170.432 28.1191 170.433 -207.396 GPRESSURE: 4398000 -210.675 -18.6209 61.6318 -45.5227 -365.363 159.097 -57.1824 211.681 -229.762 PRESSAVG: 4398000 52.2313 69.5892 -31.4352 69.5892 -64.7557 14.77 -31.4353 14.77 -2.69789 GPRESSAVG: 4398000 52.6715 70.596 -32.4126 71.3471 -66.3172 15.568 -29.5612 15.1602 -2.36736 TIMING: 4398000 CPU: 13214.2, 0.00295642/step Wall: 13214.2, 0.00295642/step, 0.494379 hours remaining, 209.382812 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: 4398000 789.0919 2090.6174 1941.9528 104.9614 -206428.5757 17721.9125 0.0000 0.0000 34069.3026 -149710.7372 297.5357 -183780.0397 -149613.7090 298.2903 -298.8471 -268.5999 559436.8138 -5.0741 -5.3377 PRESSURE: 4398200 113.598 0.895571 83.4917 0.897438 -112.532 -121.928 83.4913 -121.928 -113.596 GPRESSURE: 4398200 123.459 23.8141 64.0403 -90.9159 -104.599 -140.306 160.204 -146.233 -20.4668 PRESSAVG: 4398200 42.8409 18.2549 -1.07126 18.2551 -67.6443 -16.7509 -1.07114 -16.7509 21.6143 GPRESSAVG: 4398200 41.6811 18.0088 -1.41813 17.8143 -66.8969 -19.1296 -3.76169 -17.5883 22.2546 TIMING: 4398200 CPU: 13214.8, 0.00293257/step Wall: 13214.8, 0.00293257/step, 0.490227 hours remaining, 209.382812 MB of memory in use. ENERGY: 4398200 722.9781 2051.5290 1950.7911 115.1044 -206561.1900 17886.0300 0.0000 0.0000 34160.8467 -149673.9105 298.3352 -183834.7572 -149583.2201 297.5946 -37.5100 -0.5355 558336.5040 -1.0630 -0.9871 PRESSURE: 4398400 -70.0385 116.53 5.60069 116.531 -108.852 332.509 5.60061 332.508 -32.0483 GPRESSURE: 4398400 -74.2076 108.854 11.1923 116.065 14.7344 343.789 17.5791 288.341 -55.8318 PRESSAVG: 4398400 26.2271 33.4012 3.06507 33.4012 -38.9377 9.56259 3.065 9.56246 18.0341 GPRESSAVG: 4398400 27.1453 30.788 0.29748 33.8417 -37.5627 11.1572 5.83888 10.4222 15.5474 TIMING: 4398400 CPU: 13215.4, 0.00293227/step Wall: 13215.4, 0.00293227/step, 0.490016 hours remaining, 209.382812 MB of memory in use. ENERGY: 4398400 706.0975 2043.4977 1939.9818 118.2601 -206758.8303 17866.2673 0.0000 0.0000 34271.9431 -149812.7828 299.3054 -184084.7260 -149710.5299 298.3677 -70.3128 -38.4350 557347.7694 1.7745 1.7100 PRESSURE: 4398600 -95.4497 22.6697 -88.7445 22.67 -357.331 84.8456 -88.7441 84.8464 121.565 GPRESSURE: 4398600 -80.621 20.9119 -2.32127 105.984 -270.562 115.532 -167.512 1.06318 121.777 PRESSAVG: 4398600 -17.902 6.13488 2.68443 6.13482 6.85795 59.4173 2.68444 59.4171 40.464 GPRESSAVG: 4398600 -18.6798 8.11341 3.31351 5.31302 6.94215 61.2324 2.26035 56.9313 41.638 TIMING: 4398600 CPU: 13216, 0.00295818/step Wall: 13216, 0.00295818/step, 0.49418 hours remaining, 209.382812 MB of memory in use. ENERGY: 4398600 746.8304 2040.8557 1931.2610 119.6505 -206698.8182 17865.9308 0.0000 0.0000 34060.7414 -149933.5485 297.4609 -183994.2899 -149836.6583 298.5363 -110.4051 -76.4686 557049.4162 9.8066 9.9668 PRESSURE: 4398800 -37.5888 53.4998 -37.344 53.5009 12.6555 45.1002 -37.3438 45.0999 -191.57 GPRESSURE: 4398800 23.4376 37.3741 -80.4658 125.252 49.2576 1.47814 -2.03152 -53.887 -191.366 PRESSAVG: 4398800 -27.005 0.59401 -23.1293 0.594121 36.3408 37.8983 -23.1294 37.8982 -19.1732 GPRESSAVG: 4398800 -26.6881 0.434637 -23.5869 1.76696 35.5895 36.14 -22.6374 40.2598 -18.9623 TIMING: 4398800 CPU: 13216.6, 0.00293976/step Wall: 13216.6, 0.00293976/step, 0.49094 hours remaining, 209.382812 MB of memory in use. ENERGY: 4398800 719.4866 2036.4788 1939.7410 106.1954 -206591.9438 17894.1415 0.0000 0.0000 34004.2502 -149891.6502 296.9676 -183895.9004 -149794.8230 296.9735 -72.1678 -39.5571 558383.0352 -3.2791 -3.3536 PRESSURE: 4399000 120.209 7.81245 81.9527 7.81243 89.2215 36.5621 81.9524 36.5608 167.942 GPRESSURE: 4399000 107.637 2.53011 66.0235 -56.6262 184.873 50.2181 27.5496 -9.49348 187.032 PRESSAVG: 4399000 27.9441 -7.00506 17.3635 -7.00506 -33.3456 51.5961 17.3635 51.596 -19.0773 GPRESSAVG: 4399000 27.1449 -7.34355 19.0204 -6.50863 -32.2664 52.9058 15.1083 49.416 -19.1918 TIMING: 4399000 CPU: 13217.2, 0.00294718/step Wall: 13217.2, 0.00294718/step, 0.492016 hours remaining, 209.382812 MB of memory in use. ENERGY: 4399000 715.8956 2070.6903 1932.9916 108.9756 -206839.0857 18169.2338 0.0000 0.0000 34211.2845 -149630.0143 298.7757 -183841.2988 -149531.8230 298.2943 125.7909 159.8470 558085.9002 -8.1596 -8.1044 PRESSURE: 4399200 -92.0407 -183.336 -76.8453 -183.336 -153.632 99.5239 -76.8436 99.5249 -275.914 GPRESSURE: 4399200 8.75741 -147.931 -150.403 -223.899 -141.185 62.3173 -24.4975 114.264 -287.866 PRESSAVG: 4399200 -50.4445 5.74857 -35.4575 5.74848 7.89038 33.3394 -35.4575 33.3394 5.27644 GPRESSAVG: 4399200 -49.1424 4.49393 -34.9614 4.86007 5.82316 33.1184 -33.8861 31.6231 5.39688 TIMING: 4399200 CPU: 13217.8, 0.00296911/step Wall: 13217.8, 0.00296911/step, 0.495511 hours remaining, 209.382812 MB of memory in use. ENERGY: 4399200 750.9115 2080.6792 1912.6424 98.6585 -206259.2675 17757.0955 0.0000 0.0000 33852.0272 -149807.2533 295.6382 -183659.2805 -149719.7012 297.7996 -173.8621 -140.0979 558775.8756 -12.4259 -12.6408 PRESSURE: 4399400 -83.2051 -121.698 34.7906 -121.697 -145.871 -93.6344 34.7889 -93.635 22.4914 GPRESSURE: 4399400 -56.0593 -114.422 3.45796 -123.464 -110.922 -98.8794 97.5884 -96.1681 61.927 PRESSAVG: 4399400 20.5008 -25.904 -34.1589 -25.9041 -44.6645 -0.495105 -34.1589 -0.495151 27.2887 GPRESSAVG: 4399400 20.3769 -24.0396 -33.3088 -27.3463 -42.4532 -1.28782 -35.2134 0.922635 26.2051 TIMING: 4399400 CPU: 13218.4, 0.00298351/step Wall: 13218.4, 0.00298351/step, 0.497749 hours remaining, 209.382812 MB of memory in use. ENERGY: 4399400 729.3653 2052.1896 1925.2294 113.8438 -205961.4878 17618.4193 0.0000 0.0000 33890.3480 -149632.0924 295.9728 -183522.4404 -149535.0099 297.6593 -68.8616 -35.0183 556829.7870 1.0417 1.3763 PRESSURE: 4399600 37.7907 -179.617 -127.713 -179.617 19.2864 95.5305 -127.712 95.5299 39.2782 GPRESSURE: 4399600 25.1746 -125.352 -119.887 -218.348 104.502 66.1131 -145.169 227.542 68.8461 PRESSAVG: 4399600 17.0542 -4.40513 33.024 -4.40518 6.34066 8.72466 33.024 8.72468 -12.0378 GPRESSAVG: 4399600 16.3644 -4.21574 30.8081 -3.39833 4.60145 9.34208 35.6688 10.3467 -10.5899 TIMING: 4399600 CPU: 13219, 0.00298763/step Wall: 13219, 0.00298763/step, 0.49827 hours remaining, 209.382812 MB of memory in use. ENERGY: 4399600 721.8854 2077.2265 1946.9789 112.2177 -206116.4857 17922.2163 0.0000 0.0000 33973.3869 -149362.5739 296.6980 -183335.9608 -149279.6507 297.9799 32.1184 66.1743 558141.5470 3.7857 3.4587 PRESSURE: 4399800 40.0347 50.094 43.8843 50.0939 -253.521 24.3898 43.8843 24.39 -47.8126 GPRESSURE: 4399800 37.4675 71.0215 173.713 5.17633 -249.864 58.9767 51.8041 5.21044 32.4841 PRESSAVG: 4399800 -62.9107 -3.36469 61.6624 -3.36479 27.8351 4.33574 61.6624 4.33586 45.4325 GPRESSAVG: 4399800 -62.1304 -5.0362 63.0122 -3.81995 28.2773 3.81381 59.8446 5.06085 44.8555 TIMING: 4399800 CPU: 13219.6, 0.00295882/step Wall: 13219.6, 0.00295882/step, 0.4933 hours remaining, 209.382812 MB of memory in use. ENERGY: 4399800 729.0416 2091.0599 1968.8469 103.5821 -205850.8664 17548.8034 0.0000 0.0000 34142.7367 -149266.7958 298.1770 -183409.5325 -149173.9616 298.9057 -87.0996 -59.9710 557955.6161 3.4523 3.6674 PRESSURE: 4400000 -40.7755 154.693 -62.5672 154.693 51.9441 105.842 -62.5677 105.841 -49.7159 GPRESSURE: 4400000 3.97989 241.911 -77.4948 118.526 44.909 169.498 -52.3076 107.984 2.88879 PRESSAVG: 4400000 29.6966 47.066 35.9933 47.066 -23.9788 44.1136 35.9934 44.1136 -37.9684 GPRESSAVG: 4400000 28.9549 48.2314 36.2244 46.3964 -23.9407 43.9894 35.3052 43.7352 -37.1839 TIMING: 4400000 CPU: 13220.1, 0.00297747/step Wall: 13220.1, 0.00297747/step, 0.496245 hours remaining, 209.382812 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: 4400000 739.3464 2057.2071 1945.0095 111.0160 -205941.9286 17632.3206 0.0000 0.0000 34111.4860 -149345.5430 297.9041 -183457.0291 -149252.4401 298.8303 -12.8491 17.2592 557023.4733 -10.7502 -10.7232 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4400000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 4400000 WRITING COORDINATES TO RESTART FILE AT STEP 4400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4400200 -15.4065 160.037 -111.572 160.036 -12.6266 -27.3546 -111.572 -27.3559 -280.749 GPRESSURE: 4400200 11.4483 153.208 -186.2 186.704 2.80929 -18.9557 -39.4925 37.1119 -225.948 PRESSAVG: 4400200 40.1657 77.1312 12.6023 77.1314 -6.58951 30.573 12.6023 30.5729 -35.0299 GPRESSAVG: 4400200 41.2033 76.0641 11.7651 77.4594 -7.56282 31.0034 14.9145 28.4335 -35.0026 TIMING: 4400200 CPU: 13220.8, 0.0030593/step Wall: 13220.8, 0.0030593/step, 0.509713 hours remaining, 209.507812 MB of memory in use. ENERGY: 4400200 739.1127 2085.6658 1949.5523 113.0702 -205964.4720 17640.1160 0.0000 0.0000 34208.7211 -149228.2339 298.7533 -183436.9550 -149128.2680 299.1805 -102.9274 -70.5636 557036.8336 -0.4846 -0.4540 LDB: ============= START OF LOAD BALANCING ============== 13224.3 LDB: ============== END OF LOAD BALANCING =============== 13224.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13224.3 LDB: ============= START OF LOAD BALANCING ============== 13224.6 LDB: Largest compute 4773 load 0.027237 is 23.1% of average load 0.118082 LDB: Average compute 0.001729 is 1.5% of average load 0.118082 LDB: TIME 13224.6 LOAD: AVG 0.118082 MAX 0.206646 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.52 MB LDB: TIME 13224.6 LOAD: AVG 0.118082 MAX 0.206646 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.723 MB LDB: TIME 13224.6 LOAD: AVG 0.118082 MAX 0.206646 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.723 MB LDB: ============== END OF LOAD BALANCING =============== 13224.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13224.6 PRESSURE: 4400400 -30.8028 -120.41 84.423 -120.41 241.249 77.8913 84.423 77.8899 195.143 GPRESSURE: 4400400 -67.7893 -28.6758 134.755 -184.604 290.167 121.435 65.0009 25.5785 282.439 PRESSAVG: 4400400 30.4092 -5.39849 28.9587 -5.39855 28.4594 24.4686 28.9589 24.4685 -82.7212 GPRESSAVG: 4400400 29.8082 -7.15831 29.9321 -2.72446 29.2043 25.3954 28.1885 27.4289 -82.7455 TIMING: 4400400 CPU: 13221.4, 0.00300791/step Wall: 13221.4, 0.00300791/step, 0.500985 hours remaining, 209.203125 MB of memory in use. ENERGY: 4400400 698.5380 2089.9320 1942.8884 112.9696 -206062.9606 17910.4815 0.0000 0.0000 34117.8156 -149190.3355 297.9594 -183308.1511 -149092.0608 298.9911 135.1966 168.2724 557493.7092 -7.9509 -7.9110 PRESSURE: 4400600 57.797 -19.1401 -80.5236 -19.1402 -169.49 109.428 -80.523 109.428 -139.801 GPRESSURE: 4400600 77.2786 50.92 -46.3867 -106.881 -144.641 101.46 -44.8229 125.66 -86.4935 PRESSAVG: 4400600 40.6577 -1.52334 -43.2801 -1.5233 3.27017 51.1646 -43.2801 51.1646 2.63933 GPRESSAVG: 4400600 39.6954 0.42626 -44.4607 -2.91063 4.17784 51.0638 -44.1169 49.077 2.87449 TIMING: 4400600 CPU: 13221.9, 0.0029377/step Wall: 13221.9, 0.0029377/step, 0.489127 hours remaining, 209.406250 MB of memory in use. ENERGY: 4400600 769.7778 2102.9126 1956.6031 108.6018 -206305.0249 17829.6085 0.0000 0.0000 34187.2846 -149350.2365 298.5661 -183537.5211 -149254.8512 298.9717 -83.8312 -51.2853 556784.1278 15.5224 15.5826 PRESSURE: 4400800 -91.0903 -65.9471 -8.95694 -65.9469 -207.838 -16.5229 -8.95719 -16.5229 -276.996 GPRESSURE: 4400800 -91.5368 -50.8647 -6.73676 -54.6313 -151.272 -131.092 -42.0082 36.6595 -239.671 PRESSAVG: 4400800 36.9604 8.38662 -2.50969 8.38672 -9.58786 15.9882 -2.50965 15.9883 -3.98357 GPRESSAVG: 4400800 39.0054 9.4173 -2.12701 7.28191 -10.566 15.9401 -1.8472 15.4106 -5.06525 TIMING: 4400800 CPU: 13222.5, 0.00294022/step Wall: 13222.5, 0.00294022/step, 0.489384 hours remaining, 209.406250 MB of memory in use. ENERGY: 4400800 745.2062 2036.6887 1912.7178 102.6714 -205739.5764 17409.0919 0.0000 0.0000 34418.4490 -149114.7514 300.5849 -183533.2004 -149018.6723 299.4425 -191.9749 -160.8264 557459.5428 7.7963 7.7914 PRESSURE: 4401000 -130.817 0.680118 -63.2941 0.680856 -8.65445 11.2135 -63.2923 11.2127 -124.584 GPRESSURE: 4401000 -117.051 12.9929 -109.781 -21.975 47.4263 45.3638 -19.0907 -3.67568 -90.4897 PRESSAVG: 4401000 -24.3973 -48.9944 -41.3637 -48.9943 34.8017 28.9941 -41.3638 28.9942 -23.2274 GPRESSAVG: 4401000 -24.6983 -50.7664 -41.2712 -47.1871 35.2068 27.9314 -41.364 29.5879 -23.6336 TIMING: 4401000 CPU: 13223.1, 0.00296558/step Wall: 13223.1, 0.00296558/step, 0.493439 hours remaining, 209.535156 MB of memory in use. ENERGY: 4401000 790.3348 2063.6850 1941.9410 104.8716 -206275.4226 17918.3504 0.0000 0.0000 34289.3399 -149166.9000 299.4573 -183456.2398 -149066.1273 299.3840 -88.0183 -53.3715 557946.5961 -4.2743 -4.3750 PRESSURE: 4401200 -150.584 -113.494 -62.1377 -113.495 -143.616 82.2276 -62.1379 82.2294 188.109 GPRESSURE: 4401200 -151.139 -60.0281 -70.4735 -173.089 -73.1994 102.672 -34.7307 55.5366 228.302 PRESSAVG: 4401200 -73.4765 -82.4797 -27.4646 -82.4797 6.72346 -38.0627 -27.4646 -38.0627 47.1725 GPRESSAVG: 4401200 -74.6016 -83.9527 -26.8595 -82.7421 6.56977 -37.9 -27.5021 -38.8681 48.3792 TIMING: 4401200 CPU: 13223.7, 0.00299318/step Wall: 13223.7, 0.00299318/step, 0.497866 hours remaining, 209.535156 MB of memory in use. ENERGY: 4401200 721.5690 2081.1005 1934.5688 102.7047 -205569.5746 17549.5596 0.0000 0.0000 33987.0122 -149193.0598 296.8170 -183180.0720 -149094.8423 298.9365 -35.3636 1.3213 556798.0202 -6.5269 -6.5509 PRESSURE: 4401400 115.722 -40.6501 -9.40736 -40.652 8.82082 126.995 -9.40664 126.993 -110.709 GPRESSURE: 4401400 175.526 -94.3895 17.7938 46.807 9.36567 128.445 -19.9139 196.932 -71.495 PRESSAVG: 4401400 -0.495966 -17.9335 11.3247 -17.9335 5.7622 58.8029 11.3248 58.8028 -20.4332 GPRESSAVG: 4401400 0.237916 -14.7823 10.1135 -19.1759 4.53307 57.766 10.0505 58.6491 -20.2544 TIMING: 4401400 CPU: 13224.3, 0.00299687/step Wall: 13224.3, 0.00299687/step, 0.498314 hours remaining, 209.535156 MB of memory in use. ENERGY: 4401400 685.0313 2101.0187 1948.5356 101.5598 -205852.6806 17762.8065 0.0000 0.0000 34285.4082 -148968.3205 299.4230 -183253.7287 -148866.5496 299.6955 4.6113 37.7990 559152.6743 -5.0557 -5.1611 PRESSURE: 4401600 109.408 -94.896 16.4959 -94.896 69.2853 -61.2435 16.4949 -61.2442 -22.1358 GPRESSURE: 4401600 164.787 -58.3106 44.6737 -129.516 79.8321 23.9596 -50.8165 -7.74922 3.71731 PRESSAVG: 4401600 6.48234 17.9924 -10.373 17.9923 8.59605 30.0599 -10.373 30.0598 -50.7445 GPRESSAVG: 4401600 6.3885 17.4109 -9.23948 19.7672 9.60844 32.5872 -11.9486 29.0434 -50.7378 TIMING: 4401600 CPU: 13224.9, 0.00296818/step Wall: 13224.9, 0.00296818/step, 0.493378 hours remaining, 209.535156 MB of memory in use. ENERGY: 4401600 735.0228 2066.4033 1950.9217 127.6035 -206093.0540 17804.9625 0.0000 0.0000 34361.7886 -149046.3516 300.0900 -183408.1402 -148947.7665 300.0249 52.1859 82.7787 557624.2630 -11.8887 -11.5803 PRESSURE: 4401800 -11.6269 27.0257 -19.4577 27.0265 -92.8168 -47.2471 -19.459 -47.2466 -109.759 GPRESSURE: 4401800 17.4463 80.5163 -36.7691 73.2608 -117.124 -30.9533 -83.5562 -23.9328 -14.0808 PRESSAVG: 4401800 26.5789 42.3024 -5.75075 42.3024 20.8121 12.586 -5.7508 12.586 -10.5436 GPRESSAVG: 4401800 27.351 43.9132 -7.96355 42.0721 21.2668 11.1276 -4.80797 14.5421 -11.398 TIMING: 4401800 CPU: 13225.5, 0.00295836/step Wall: 13225.5, 0.00295836/step, 0.491581 hours remaining, 209.535156 MB of memory in use. ENERGY: 4401800 731.1992 2133.0044 1936.5696 123.0897 -205936.9400 17623.5413 0.0000 0.0000 34395.3657 -148994.1702 300.3833 -183389.5359 -148898.9753 299.7463 -71.4009 -37.9195 557620.7442 12.2825 12.4066 PRESSURE: 4402000 -115.877 112.074 52.8275 112.075 -335.555 85.3471 52.827 85.3471 70.4735 GPRESSURE: 4402000 -102.547 29.773 12.723 218.766 -251.118 84.0842 50.7627 50.1244 87.3603 PRESSAVG: 4402000 -8.24544 17.1156 -11.2851 17.1156 -53.4629 37.2452 -11.285 37.2452 49.0594 GPRESSAVG: 4402000 -8.99784 14.163 -8.97495 19.5322 -53.5399 37.5978 -9.2364 35.8878 49.6596 TIMING: 4402000 CPU: 13226.1, 0.00296376/step Wall: 13226.1, 0.00296376/step, 0.492313 hours remaining, 209.535156 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: 4402000 739.8364 2157.2822 1943.9732 107.4734 -205865.0949 17542.7110 0.0000 0.0000 34470.9802 -148902.8385 301.0436 -183373.8187 -148802.3344 299.7240 -126.9862 -88.7681 558046.9008 -4.2163 -4.2927 PRESSURE: 4402200 -118.856 -106.534 -48.4821 -106.535 47.2834 21.9129 -48.4814 21.9124 146.421 GPRESSURE: 4402200 -72.0551 -75.2346 -76.4907 -80.9539 131.272 89.6736 -84.6144 -67.9248 128.81 PRESSAVG: 4402200 5.84358 -2.22403 21.4793 -2.22397 -35.1558 28.8267 21.4792 28.8268 50.2726 GPRESSAVG: 4402200 5.54639 -2.15191 19.7973 -3.71111 -36.2954 30.2545 21.6573 27.4594 51.3704 TIMING: 4402200 CPU: 13226.7, 0.0029581/step Wall: 13226.7, 0.0029581/step, 0.491209 hours remaining, 209.535156 MB of memory in use. ENERGY: 4402200 752.6004 2126.0615 1954.2540 105.3932 -205968.1967 17874.7491 0.0000 0.0000 34172.5105 -148982.6281 298.4370 -183155.1385 -148885.0887 299.6736 24.9493 62.6757 558109.8880 6.9868 6.8738 PRESSURE: 4402400 -55.3191 -90.6803 6.94135 -90.6812 -127.206 -2.10571 6.9434 -2.10714 295.794 GPRESSURE: 4402400 -67.0678 -74.2958 15.0773 -45.8018 -21.3022 -25.9989 8.98116 -21.2511 287.43 PRESSAVG: 4402400 -60.0804 10.721 -24.4014 10.7211 -12.7717 -45.1778 -24.4014 -45.1778 79.0837 GPRESSAVG: 4402400 -60.1213 10.8846 -23.1175 9.80448 -12.2984 -50.072 -25.5267 -42.067 78.9715 TIMING: 4402400 CPU: 13227.3, 0.0029733/step Wall: 13227.3, 0.0029733/step, 0.493567 hours remaining, 209.535156 MB of memory in use. ENERGY: 4402400 736.0498 2150.8118 1916.3795 114.5717 -205947.3863 17884.7423 0.0000 0.0000 34318.3531 -148826.4780 299.7107 -183144.8311 -148722.9171 299.8878 37.7560 66.3535 558660.9429 2.0772 2.1839 PRESSURE: 4402600 56.4048 -60.598 20.2213 -60.5969 -24.784 -20.3635 20.2212 -20.3649 113.209 GPRESSURE: 4402600 75.3979 -89.9908 -20.1329 -15.3827 27.3745 32.3798 107.86 -89.2137 128.307 PRESSAVG: 4402600 -49.4682 12.5253 -12.6311 12.5254 6.06261 -50.4942 -12.6311 -50.4942 26.3908 GPRESSAVG: 4402600 -50.1159 12.6957 -13.2517 12.4204 6.93084 -48.8392 -12.3251 -50.9562 26.1911 TIMING: 4402600 CPU: 13227.9, 0.00298246/step Wall: 13227.9, 0.00298246/step, 0.494923 hours remaining, 209.535156 MB of memory in use. ENERGY: 4402600 759.5355 2127.3760 1917.6587 110.1755 -205510.0215 17512.2175 0.0000 0.0000 34323.7966 -148759.2616 299.7583 -183083.0582 -148660.2157 300.5251 48.2767 77.0265 556864.1950 -5.6716 -5.6646 PRESSURE: 4402800 -5.6644 -7.51083 -72.6895 -7.51207 -34.3322 -2.20838 -72.6882 -2.20848 -33.4789 GPRESSURE: 4402800 -8.08155 -61.923 -125.77 -52.6233 38.8586 -96.2598 -35.8514 33.6535 -4.45527 PRESSAVG: 4402800 21.7643 3.77157 -1.21713 3.77159 0.0788128 -19.4402 -1.21713 -19.4403 -9.28278 GPRESSAVG: 4402800 21.9683 4.43927 -0.987714 4.83059 0.02874 -20.0608 -1.66156 -18.8722 -9.74597 TIMING: 4402800 CPU: 13228.5, 0.00301764/step Wall: 13228.5, 0.00301764/step, 0.500594 hours remaining, 209.535156 MB of memory in use. ENERGY: 4402800 753.1947 2065.3593 1946.5173 114.7971 -205901.8836 17832.7869 0.0000 0.0000 34341.8194 -148847.4089 299.9157 -183189.2283 -148753.0102 300.1040 -24.4919 8.7739 559139.8168 4.1868 4.0837 PRESSURE: 4403000 -74.147 58.0259 123.942 58.0255 -70.0691 -50.5485 123.942 -50.5485 113.616 GPRESSURE: 4403000 -63.3412 6.24613 118.352 140.995 -1.08742 -97.0859 138.691 31.578 113.446 PRESSAVG: 4403000 42.1311 60.0748 -9.4765 60.0748 -2.73873 37.8444 -9.47657 37.8444 -72.6954 GPRESSAVG: 4403000 42.5017 56.637 -7.13414 60.0948 -2.26951 38.6117 -10.0032 37.8627 -73.6003 TIMING: 4403000 CPU: 13229.1, 0.00297771/step Wall: 13229.1, 0.00297771/step, 0.493803 hours remaining, 209.535156 MB of memory in use. ENERGY: 4403000 763.7721 2105.3094 1888.9633 115.8997 -206090.0817 17761.5699 0.0000 0.0000 34525.5789 -148928.9884 301.5205 -183454.5673 -148831.4233 299.9147 -10.2001 16.3390 558284.1678 -11.1010 -11.1227 PRESSURE: 4403200 197.501 17.7415 -80.018 17.743 -55.4033 140.222 -80.0169 140.221 -26.3517 GPRESSURE: 4403200 195.951 115.412 -91.7427 13.6336 12.0617 140.373 -45.6304 174.63 4.5716 PRESSAVG: 4403200 58.799 9.54842 -23.6428 9.54835 6.76267 -24.9323 -23.6429 -24.9323 -28.1814 GPRESSAVG: 4403200 58.4913 12.4839 -25.1612 8.97059 6.10149 -24.0602 -22.7392 -24.5116 -27.3218 TIMING: 4403200 CPU: 13229.7, 0.00296788/step Wall: 13229.7, 0.00296788/step, 0.492008 hours remaining, 209.535156 MB of memory in use. ENERGY: 4403200 803.8816 2116.2822 1906.8358 101.5742 -205897.2549 17904.0680 0.0000 0.0000 34327.2698 -148737.3433 299.7886 -183064.6132 -148636.1894 299.9453 38.5821 70.8613 558056.7059 12.4601 12.4237 PRESSURE: 4403400 -276.719 224.576 28.3803 224.576 180.156 153.114 28.3785 153.113 -268.506 GPRESSURE: 4403400 -297.143 218.931 75.6918 169.462 164.184 113.625 72.7004 84.2272 -142.755 PRESSAVG: 4403400 46.9073 -18.1906 -17.7508 -18.1906 7.95593 62.7085 -17.7507 62.7084 -43.0902 GPRESSAVG: 4403400 46.0727 -17.4207 -16.1993 -21.4059 7.78799 62.0963 -18.9374 61.3935 -42.1867 TIMING: 4403400 CPU: 13230.3, 0.00297847/step Wall: 13230.3, 0.00297847/step, 0.493598 hours remaining, 209.535156 MB of memory in use. ENERGY: 4403400 750.9148 2065.8280 1942.0640 111.6482 -205807.9931 17758.6439 0.0000 0.0000 34475.5181 -148703.3761 301.0833 -183178.8942 -148604.0759 300.3701 -121.6894 -91.9046 558786.0834 3.9244 3.8913 PRESSURE: 4403600 23.6834 14.7788 80.6045 14.7786 -154.076 157.536 80.6033 157.537 -114.131 GPRESSURE: 4403600 6.26861 -28.7812 102.598 57.7225 -112.691 143.171 17.2304 107.065 -47.4593 PRESSAVG: 4403600 60.4289 -12.4682 7.3845 -12.4683 -26.7356 21.3351 7.38455 21.3351 -41.504 GPRESSAVG: 4403600 60.335 -13.3866 4.57627 -11.5958 -27.3215 21.927 8.40928 21.099 -41.1127 TIMING: 4403600 CPU: 13230.9, 0.00294201/step Wall: 13230.9, 0.00294201/step, 0.487393 hours remaining, 209.535156 MB of memory in use. ENERGY: 4403600 739.7810 2049.4765 1926.0534 120.2053 -205920.9668 17846.6397 0.0000 0.0000 34523.4480 -148715.3629 301.5019 -183238.8109 -148607.8833 300.4345 -81.5079 -51.2940 559677.6771 -2.6035 -2.6997 PRESSURE: 4403800 -216.589 59.8431 11.5684 59.8426 -8.12335 94.7873 11.5679 94.7873 -234.425 GPRESSURE: 4403800 -200.366 103.003 -65.0121 30.8964 24.6852 64.1043 131.724 75.754 -184.752 PRESSAVG: 4403800 -4.84212 -13.4381 6.37013 -13.4382 -51.2943 35.6734 6.37008 35.6734 16.7269 GPRESSAVG: 4403800 -4.29141 -10.1558 5.03891 -14.8282 -51.2078 38.0795 6.47355 35.8453 16.5457 TIMING: 4403800 CPU: 13231.5, 0.00295077/step Wall: 13231.5, 0.00295077/step, 0.48868 hours remaining, 209.535156 MB of memory in use. ENERGY: 4403800 729.6005 2083.4667 1924.3921 111.3934 -205756.9145 17727.3358 0.0000 0.0000 34479.1832 -148701.5428 301.1153 -183180.7261 -148602.1735 300.7907 -153.0456 -120.1441 559749.8879 -13.1365 -12.9845 PRESSURE: 4404000 69.8407 42.6037 -220.988 42.6045 163.757 149.115 -220.986 149.116 -96.9219 GPRESSURE: 4404000 66.9172 31.03 -310.826 107.585 207.152 122.286 -195.401 134.398 -40.6768 PRESSAVG: 4404000 -21.2367 -9.62666 -16.7766 -9.62666 50.9344 61.6855 -16.7766 61.6857 -56.2587 GPRESSAVG: 4404000 -21.6689 -12.564 -15.381 -6.69584 51.5143 59.8578 -17.8402 62.2363 -56.3525 TIMING: 4404000 CPU: 13232, 0.00297294/step Wall: 13232, 0.00297294/step, 0.492187 hours remaining, 209.535156 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: 4404000 748.2666 2099.9951 1913.3128 122.3729 -205664.4100 17847.5461 0.0000 0.0000 34132.6615 -148800.2550 298.0890 -182932.9165 -148701.9682 299.2773 45.5587 77.7974 559489.9939 -8.8537 -8.8357 PRESSURE: 4404200 -22.8062 -33.9144 132.857 -33.9145 60.6916 -30.1418 132.858 -30.142 86.2869 GPRESSURE: 4404200 -13.6497 -0.30803 189.119 -118.254 65.3309 -22.5914 19.7744 -53.331 184.151 PRESSAVG: 4404200 -56.8539 -23.3741 -3.02148 -23.374 61.7079 24.0435 -3.02153 24.0436 20.2725 GPRESSAVG: 4404200 -55.7616 -21.562 -3.79318 -24.4209 61.0248 22.988 -1.2472 24.9062 19.4645 TIMING: 4404200 CPU: 13232.6, 0.00298367/step Wall: 13232.6, 0.00298367/step, 0.493797 hours remaining, 209.535156 MB of memory in use. ENERGY: 4404200 748.8876 2107.9023 1934.1818 124.2882 -206264.3704 18010.5300 0.0000 0.0000 34500.2749 -148838.3056 301.2995 -183338.5805 -148740.7067 300.4140 41.3908 78.6106 557233.1753 8.3755 8.2426 LDB: ============= START OF LOAD BALANCING ============== 13236.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13236.2 LDB: =============== DONE WITH MIGRATION ================ 13236.2 LDB: ============= START OF LOAD BALANCING ============== 13236.5 LDB: Largest compute 4773 load 0.027428 is 23.2% of average load 0.118185 LDB: Average compute 0.001727 is 1.5% of average load 0.118185 LDB: TIME 13236.5 LOAD: AVG 0.118185 MAX 0.208034 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.137 MB LDB: TIME 13236.5 LOAD: AVG 0.118185 MAX 0.208034 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.203 MB LDB: TIME 13236.5 LOAD: AVG 0.118185 MAX 0.208034 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.203 MB LDB: ============== END OF LOAD BALANCING =============== 13236.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13236.5 PRESSURE: 4404400 -53.5737 19.4144 -157.289 19.4139 149.755 174.991 -157.289 174.993 -112.436 GPRESSURE: 4404400 -17.1206 -28.9227 -82.5924 24.7319 169.324 118.394 -250.924 227.193 -73.3885 PRESSAVG: 4404400 5.46723 -18.2714 -7.36164 -18.2714 30.1377 27.0666 -7.36168 27.0665 -27.1943 GPRESSAVG: 4404400 3.61906 -19.6647 -5.57919 -16.2155 31.353 27.7902 -6.66221 26.0793 -26.3765 TIMING: 4404400 CPU: 13233.3, 0.00303408/step Wall: 13233.3, 0.00303408/step, 0.501972 hours remaining, 209.910156 MB of memory in use. ENERGY: 4404400 718.7069 2056.7004 1946.1394 102.6518 -205965.3138 17804.9404 0.0000 0.0000 34383.7269 -148952.4481 300.2816 -183336.1750 -148849.4899 300.9547 -5.4184 26.2716 558601.4411 2.8035 2.8652 PRESSURE: 4404600 -219.104 -123.915 -85.1678 -123.915 47.9493 63.9541 -85.1678 63.9556 272.123 GPRESSURE: 4404600 -192.436 -126.079 -90.4965 -53.9735 120.915 26.1655 -86.6876 41.5701 270.778 PRESSAVG: 4404600 -16.7069 3.7227 -42.9284 3.72278 55.002 -9.90543 -42.9283 -9.90539 -23.9236 GPRESSAVG: 4404600 -15.1887 4.21837 -44.2433 2.0624 54.0362 -9.46358 -42.7317 -10.1404 -25.0746 TIMING: 4404600 CPU: 13233.8, 0.0029729/step Wall: 13233.8, 0.0029729/step, 0.491685 hours remaining, 209.910156 MB of memory in use. ENERGY: 4404600 720.9506 2029.0353 1926.7369 89.5272 -205778.6007 17766.8132 0.0000 0.0000 34360.4637 -148885.0738 300.0785 -183245.5374 -148786.2758 300.5560 33.6563 66.4189 557291.5722 4.7905 4.5910 PRESSURE: 4404800 -224.743 12.3642 -112.053 12.3644 -543.026 98.3189 -112.052 98.3191 -160.869 GPRESSURE: 4404800 -227.88 -21.0552 -104.721 32.2288 -466.433 60.9626 -189.884 132.134 -128.256 PRESSAVG: 4404800 -57.6935 -20.9167 -23.8057 -20.9166 25.8346 -15.9887 -23.8057 -15.9887 46.5863 GPRESSAVG: 4404800 -58.4523 -21.9596 -24.0506 -18.815 26.2485 -17.672 -24.3008 -14.5139 46.6234 TIMING: 4404800 CPU: 13234.4, 0.00295723/step Wall: 13234.4, 0.00295723/step, 0.488929 hours remaining, 209.910156 MB of memory in use. ENERGY: 4404800 767.9195 2077.4970 1926.3962 114.6394 -205644.5194 17449.7799 0.0000 0.0000 34335.9207 -148972.3667 299.8641 -183308.2874 -148880.9637 299.9872 -309.5461 -274.1897 558788.7726 4.9091 4.8065 PRESSURE: 4405000 -115.385 164.399 63.4472 164.4 -85.7198 14.4913 63.4478 14.4902 -189.425 GPRESSURE: 4405000 -44.9605 80.3836 112.621 134.346 -74.4386 64.6473 -2.68066 -98.0101 -157.916 PRESSAVG: 4405000 56.5986 -16.7077 32.8957 -16.7077 -61.1104 45.3673 32.8957 45.3674 -14.4641 GPRESSAVG: 4405000 56.6507 -14.8042 35.0908 -19.2659 -60.9973 48.6259 32.5971 44.5596 -14.7886 TIMING: 4405000 CPU: 13235, 0.00297433/step Wall: 13235, 0.00297433/step, 0.491591 hours remaining, 209.910156 MB of memory in use. ENERGY: 4405000 755.2181 2086.6591 1930.8290 114.5304 -205577.7080 17500.9439 0.0000 0.0000 34260.4694 -148929.0582 299.2052 -183189.5275 -148828.3947 299.7051 -130.1767 -92.4382 557852.5857 -6.3253 -6.3784 PRESSURE: 4405200 -184.183 -19.937 -66.5052 -19.9369 -133.23 70.1866 -66.505 70.1856 -84.3034 GPRESSURE: 4405200 -139.657 79.3128 -108.641 -99.073 -133.632 157.615 -153.167 19.8992 -14.9211 PRESSAVG: 4405200 11.5546 29.3059 -1.30099 29.3058 23.7223 22.2175 -1.30102 22.2176 -23.8832 GPRESSAVG: 4405200 11.8538 29.28 -3.25279 29.7786 22.5247 20.1493 -0.374979 23.7581 -22.9289 TIMING: 4405200 CPU: 13235.6, 0.00295084/step Wall: 13235.6, 0.00295084/step, 0.487545 hours remaining, 210.066406 MB of memory in use. ENERGY: 4405200 779.8228 2035.6283 1988.5037 96.6206 -205984.2108 17846.9099 0.0000 0.0000 34198.0241 -149038.7015 298.6599 -183236.7256 -148938.8818 299.6878 -133.9054 -96.0699 559406.3070 3.7979 3.8165 PRESSURE: 4405400 159.061 -158.964 9.7709 -158.963 -169.776 -139.457 9.77062 -139.455 116.693 GPRESSURE: 4405400 163.799 -101.885 21.9038 -173.183 -88.9402 -149.184 57.8845 -166.813 133.737 PRESSAVG: 4405400 34.7837 19.5349 -15.0957 19.5349 -36.0919 -4.45687 -15.0956 -4.45689 65.3821 GPRESSAVG: 4405400 34.2232 17.8826 -14.9166 19.1218 -35.4464 -5.85088 -15.6488 -5.47117 65.2717 TIMING: 4405400 CPU: 13236.2, 0.00298315/step Wall: 13236.2, 0.00298315/step, 0.492718 hours remaining, 210.066406 MB of memory in use. ENERGY: 4405400 758.4324 2094.9868 1903.0018 116.5729 -206338.1320 18112.1173 0.0000 0.0000 34307.5272 -149045.4936 299.6162 -183353.0209 -148951.4101 299.0008 35.3261 69.5317 559273.7769 21.3580 21.3495 PRESSURE: 4405600 90.4464 -15.9482 79.763 -15.9482 -53.907 77.4256 79.7627 77.4241 -198.337 GPRESSURE: 4405600 127.566 -19.4915 110.374 -35.9812 -15.5651 60.5504 12.3151 51.5866 -161.676 PRESSAVG: 4405600 15.8657 -65.0484 41.0487 -65.0483 5.18273 -14.9593 41.0488 -14.9593 -14.4211 GPRESSAVG: 4405600 14.9491 -65.8477 39.0067 -63.7327 6.22619 -14.0422 39.6165 -16.9751 -14.4885 TIMING: 4405600 CPU: 13236.8, 0.00295376/step Wall: 13236.8, 0.00295376/step, 0.487699 hours remaining, 210.066406 MB of memory in use. ENERGY: 4405600 793.2222 2117.6398 1961.6184 116.7575 -206132.9847 17895.1080 0.0000 0.0000 34260.7972 -148987.8416 299.2081 -183248.6388 -148897.2464 299.5298 -53.9326 -16.5584 559459.3161 2.2091 2.2289 PRESSURE: 4405800 -119.628 -107.774 44.082 -107.774 -152.76 -84.2701 44.0814 -84.2683 -60.867 GPRESSURE: 4405800 -119.222 -121.637 10.5282 -75.1041 -137.775 -86.7703 53.6877 -105.926 4.34292 PRESSAVG: 4405800 39.5653 -15.5829 43.6904 -15.5829 -12.3597 8.39874 43.6904 8.39871 -29.937 GPRESSAVG: 4405800 39.6692 -13.9242 43.5247 -16.9099 -13.7681 7.37626 46.5619 10.9901 -29.0502 TIMING: 4405800 CPU: 13237.4, 0.00299229/step Wall: 13237.4, 0.00299229/step, 0.493894 hours remaining, 210.066406 MB of memory in use. ENERGY: 4405800 770.0633 2095.7747 1948.0257 112.5613 -205994.4663 17682.4622 0.0000 0.0000 34249.3437 -149136.2353 299.1080 -183385.5790 -149041.9362 299.4937 -111.0848 -84.2180 559652.7667 -0.9105 -1.0497 PRESSURE: 4406000 -204.631 -77.9157 -39.7132 -77.9162 59.524 75.5127 -39.7131 75.5128 110.211 GPRESSURE: 4406000 -144.46 23.5446 -12.7262 -74.2642 123.783 58.2455 61.8937 3.16008 92.0699 PRESSAVG: 4406000 -12.4993 -59.2827 -16.7121 -59.2827 29.8172 -9.55663 -16.7121 -9.55658 -17.2872 GPRESSAVG: 4406000 -12.1409 -60.2213 -14.4287 -57.6567 30.8191 -10.5727 -20.5299 -11.7559 -19.0413 TIMING: 4406000 CPU: 13238, 0.00297791/step Wall: 13238, 0.00297791/step, 0.491356 hours remaining, 210.066406 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: 4406000 705.1759 2111.8155 1931.4885 113.8539 -206193.4964 17804.5237 0.0000 0.0000 34281.7806 -149244.8583 299.3913 -183526.6389 -149144.7745 299.7483 -11.6320 23.7976 558378.9406 0.0102 -0.1210 PRESSURE: 4406200 -386.515 -47.796 -112.651 -47.7962 -183.993 -170.088 -112.651 -170.087 -127.352 GPRESSURE: 4406200 -356.441 -73.8242 -143.255 0.109626 -138.785 -108.724 -97.8845 -230.229 -96.388 PRESSAVG: 4406200 -9.16143 -8.38238 -47.5673 -8.38253 22.2708 -16.8922 -47.5672 -16.8921 4.02983 GPRESSAVG: 4406200 -10.3058 -8.97795 -48.8364 -9.009 22.1724 -15.4706 -43.5313 -16.7624 5.48666 TIMING: 4406200 CPU: 13238.6, 0.00297092/step Wall: 13238.6, 0.00297092/step, 0.490037 hours remaining, 210.066406 MB of memory in use. ENERGY: 4406200 764.1834 2086.3710 1935.7792 121.7576 -205931.6090 17692.9063 0.0000 0.0000 34147.6616 -149182.9501 298.2200 -183330.6116 -149075.4579 300.2971 -232.6198 -197.2048 558748.5570 5.7131 5.7844 PRESSURE: 4406400 -395.267 -37.2749 14.8093 -37.2757 -98.7315 -163.52 14.8084 -163.52 78.983 GPRESSURE: 4406400 -334.244 -50.8002 13.0919 -2.00887 -85.7533 -76.9135 60.6753 -137.247 97.6993 PRESSAVG: 4406400 -5.19227 -21.5522 -27.5758 -21.5522 53.8122 35.0272 -27.5757 35.0272 -27.511 GPRESSAVG: 4406400 -4.20598 -20.7564 -25.4883 -23.6523 54.0012 34.754 -29.5504 36.5273 -29.2927 TIMING: 4406400 CPU: 13239.2, 0.00299161/step Wall: 13239.2, 0.00299161/step, 0.493284 hours remaining, 210.066406 MB of memory in use. ENERGY: 4406400 757.0349 2120.0468 1935.2831 109.5186 -205922.4951 17673.0642 0.0000 0.0000 34282.7871 -149044.7605 299.4001 -183327.5476 -148948.2096 298.9926 -138.3383 -107.4328 558741.8076 7.0363 6.8342 PRESSURE: 4406600 -126.092 -29.6736 180.912 -29.6729 -43.8121 -287.376 180.912 -287.377 -40.8585 GPRESSURE: 4406600 -108.985 -57.3318 177.661 97.026 17.2529 -260.74 223.147 -266.031 -23.7142 PRESSAVG: 4406600 13.4757 7.40331 -16.1059 7.40331 51.5826 -36.4881 -16.1058 -36.4882 -69.1615 GPRESSAVG: 4406600 14.4665 5.48992 -16.207 9.30693 50.2686 -37.8336 -16.25 -36.6166 -69.3223 TIMING: 4406600 CPU: 13239.8, 0.00297511/step Wall: 13239.8, 0.00297511/step, 0.490397 hours remaining, 210.066406 MB of memory in use. ENERGY: 4406600 725.8338 2004.3545 1944.2152 119.2378 -206009.6290 17892.5091 0.0000 0.0000 34078.4193 -149245.0593 297.6153 -183323.4786 -149140.6290 299.1695 -70.2542 -38.4820 559578.8697 -1.3677 -1.5291 PRESSURE: 4406800 -106.862 -53.2648 -70.7635 -53.2658 -53.8806 21.6362 -70.7643 21.6352 -5.32232 GPRESSURE: 4406800 -59.7958 -29.8962 -50.1831 -78.1584 -29.9763 63.0841 -9.04347 88.3753 13.7881 PRESSAVG: 4406800 16.1019 8.49241 -3.77881 8.49245 7.5392 -15.9871 -3.77887 -15.9871 -17.8435 GPRESSAVG: 4406800 15.8152 11.1964 -4.6204 7.72283 7.70343 -14.662 -4.92684 -16.1525 -17.4631 TIMING: 4406800 CPU: 13240.4, 0.00298294/step Wall: 13240.4, 0.00298294/step, 0.491522 hours remaining, 210.066406 MB of memory in use. ENERGY: 4406800 748.5088 1993.5374 1950.3412 131.2374 -205836.4870 17795.6913 0.0000 0.0000 34126.1962 -149090.9747 298.0326 -183217.1709 -148999.2775 299.1473 -55.3551 -25.3280 559990.9633 1.9325 2.0185 PRESSURE: 4407000 303.424 -25.3612 125.809 -25.3613 97.0994 34.9756 125.808 34.9752 -87.8669 GPRESSURE: 4407000 284.141 52.2696 93.2091 28.1155 162.67 68.4005 32.993 1.24169 -42.3368 PRESSAVG: 4407000 11.658 43.3279 19.9696 43.3278 38.9208 27.815 19.9696 27.815 -49.1027 GPRESSAVG: 4407000 11.5206 43.2597 18.8852 43.6857 38.3364 28.178 19.7304 25.615 -48.9206 TIMING: 4407000 CPU: 13241, 0.0029588/step Wall: 13241, 0.0029588/step, 0.48738 hours remaining, 210.066406 MB of memory in use. ENERGY: 4407000 722.4211 2136.4026 1959.9689 105.7212 -206474.5908 18021.3192 0.0000 0.0000 34356.4733 -149172.2844 300.0436 -183528.7577 -149084.6763 299.2830 104.2187 134.8246 558729.0554 0.4921 0.3121 PRESSURE: 4407200 4.24073 -43.2228 52.6562 -43.2223 -206.103 149.149 52.6567 149.149 90.5806 GPRESSURE: 4407200 69.7155 -104.309 121.148 -3.29218 -184.395 196.21 -5.81509 -23.2353 101.295 PRESSAVG: 4407200 -29.5353 -59.7545 28.2486 -59.7545 -22.5621 -16.5283 28.2485 -16.5284 16.1317 GPRESSAVG: 4407200 -30.6292 -59.5631 31.1414 -60.1741 -21.7822 -17.703 29.4533 -14.0785 16.3975 TIMING: 4407200 CPU: 13241.6, 0.00297422/step Wall: 13241.6, 0.00297422/step, 0.489754 hours remaining, 210.066406 MB of memory in use. ENERGY: 4407200 758.4864 2058.7926 1929.1375 113.1231 -206467.8862 17979.6927 0.0000 0.0000 34406.3401 -149222.3138 300.4791 -183628.6538 -149127.1823 299.2104 -37.0940 -4.4613 559316.3030 -11.9886 -12.0046 PRESSURE: 4407400 115.761 112.537 69.2581 112.537 -76.5287 58.2332 69.258 58.2332 -142.95 GPRESSURE: 4407400 132.722 82.7181 62.829 92.8705 -46.5872 55.7046 59.1467 60.9311 -100.698 PRESSAVG: 4407400 -43.0599 17.0039 -16.5623 17.0039 21.9713 13.7668 -16.5622 13.7668 10.8318 GPRESSAVG: 4407400 -42.4518 16.2404 -19.877 16.7071 22.0697 12.4517 -16.4488 14.2082 10.1768 TIMING: 4407400 CPU: 13242.2, 0.00297622/step Wall: 13242.2, 0.00297622/step, 0.489919 hours remaining, 210.066406 MB of memory in use. ENERGY: 4407400 753.6793 2147.0057 1921.3645 118.1935 -206288.6425 17802.3644 0.0000 0.0000 34256.9313 -149289.1039 299.1743 -183546.0351 -149193.9949 298.6623 -34.5725 -4.8545 558371.2110 -3.4189 -3.4018 PRESSURE: 4407600 -45.0271 -67.4493 -51.2762 -67.4483 102.445 -17.212 -51.2768 -17.2109 -92.5989 GPRESSURE: 4407600 7.97594 -89.8413 -106.654 31.1109 128.186 -7.53905 6.97479 -43.3525 -70.0002 PRESSAVG: 4407600 94.2413 -40.9713 -19.9563 -40.9715 -26.1464 68.0517 -19.9563 68.0517 -66.812 GPRESSAVG: 4407600 94.4487 -42.4965 -19.0049 -38.9315 -26.3778 70.0188 -22.1863 66.6098 -67.0483 TIMING: 4407600 CPU: 13242.8, 0.00299105/step Wall: 13242.8, 0.00299105/step, 0.492194 hours remaining, 210.199219 MB of memory in use. ENERGY: 4407600 711.3209 2034.8543 1963.0499 117.7821 -206312.3080 18018.3980 0.0000 0.0000 34058.4689 -149408.4338 297.4411 -183466.9027 -149304.9788 298.7945 -11.7270 22.0540 558777.9333 0.4276 0.3408 PRESSURE: 4407800 -76.5111 -199.631 64.9911 -199.63 48.9581 -30.0721 64.9919 -30.0719 46.0577 GPRESSURE: 4407800 -17.2316 -218.919 3.71335 -207.311 90.7349 -144.165 111.328 12.7465 32.1319 PRESSAVG: 4407800 59.7222 -29.0768 7.10332 -29.0768 -7.74037 41.7425 7.10331 41.7426 -39.325 GPRESSAVG: 4407800 60.3913 -28.6781 5.93006 -27.9106 -7.8779 41.3092 9.9103 41.6085 -40.0879 TIMING: 4407800 CPU: 13243.4, 0.00295763/step Wall: 13243.4, 0.00295763/step, 0.486531 hours remaining, 210.199219 MB of memory in use. ENERGY: 4407800 745.5566 2087.2927 1948.9646 107.7392 -206410.0913 17985.9535 0.0000 0.0000 33960.2832 -149574.3015 296.5836 -183534.5846 -149474.8319 298.4496 6.1682 35.2117 559237.2282 4.2190 4.1418 PRESSURE: 4408000 -2.02895 -39.5019 39.5396 -39.5015 -107.827 231.442 39.5383 231.442 -296.47 GPRESSURE: 4408000 35.9879 25.8308 46.1283 -62.7793 -86.7972 204.784 7.0784 183.51 -262.556 PRESSAVG: 4408000 -58.9062 -12.8576 -12.8569 -12.8576 46.9497 -14.7217 -12.8569 -14.7216 15.3083 GPRESSAVG: 4408000 -60.6273 -12.6759 -12.4149 -12.8115 46.6289 -14.536 -11.2601 -15.0743 16.5365 TIMING: 4408000 CPU: 13244, 0.00295145/step Wall: 13244, 0.00295145/step, 0.485349 hours remaining, 210.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4408000 759.5941 2076.4306 1950.2758 116.1283 -206167.9942 17667.6632 0.0000 0.0000 34045.6342 -149552.2679 297.3290 -183597.9021 -149458.6301 297.8188 -135.4421 -104.4550 558175.8126 1.1172 0.8460 PRESSURE: 4408200 12.9312 68.4193 96.2629 68.4188 269.919 131.424 96.2629 131.423 169.375 GPRESSURE: 4408200 0.00876309 84.6346 123.304 142.456 301.18 113.992 153.597 53.3348 240.261 PRESSAVG: 4408200 -25.6451 23.7116 -1.88418 23.7116 -54.0511 -31.1227 -1.88409 -31.1227 56.3461 GPRESSAVG: 4408200 -25.7296 26.3296 -1.11818 22.7075 -53.7898 -30.8297 -3.64493 -31.4953 56.9178 TIMING: 4408200 CPU: 13244.6, 0.0029987/step Wall: 13244.6, 0.0029987/step, 0.492952 hours remaining, 210.199219 MB of memory in use. ENERGY: 4408200 767.0610 2071.4217 1963.4202 97.7939 -206480.6966 18109.0983 0.0000 0.0000 34023.2770 -149448.6246 297.1337 -183471.9015 -149353.5001 298.0695 150.7415 180.4835 557671.2196 -7.7834 -7.5339 LDB: ============= START OF LOAD BALANCING ============== 13248.1 LDB: ============== END OF LOAD BALANCING =============== 13248.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13248.1 LDB: ============= START OF LOAD BALANCING ============== 13248.4 LDB: Largest compute 4773 load 0.027591 is 23.3% of average load 0.118178 LDB: Average compute 0.001728 is 1.5% of average load 0.118178 LDB: TIME 13248.4 LOAD: AVG 0.118178 MAX 0.207828 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.977 MB LDB: TIME 13248.4 LOAD: AVG 0.118178 MAX 0.207828 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.18 MB LDB: TIME 13248.4 LOAD: AVG 0.118178 MAX 0.207828 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.18 MB LDB: ============== END OF LOAD BALANCING =============== 13248.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13248.4 PRESSURE: 4408400 -183.908 70.2846 -119.633 70.2844 -42.9928 -219.51 -119.632 -219.51 19.2129 GPRESSURE: 4408400 -144.145 40.0596 -78.3425 110.285 -5.28741 -141.787 -52.9188 -162.384 34.2928 PRESSAVG: 4408400 -110.755 -0.912069 -29.7595 -0.912105 56.5994 -76.098 -29.7595 -76.0979 33.29 GPRESSAVG: 4408400 -110.442 -0.350434 -29.0767 -2.80767 55.2416 -75.3185 -29.0374 -75.0663 33.4372 TIMING: 4408400 CPU: 13245.2, 0.00305512/step Wall: 13245.2, 0.00305512/step, 0.502058 hours remaining, 208.871094 MB of memory in use. ENERGY: 4408400 779.0405 2086.1101 1935.3845 102.9563 -206480.1627 17934.4652 0.0000 0.0000 34147.2183 -149494.9878 298.2162 -183642.2061 -149402.7686 298.3329 -69.2294 -38.3799 558093.7657 -6.9552 -7.2544 PRESSURE: 4408600 -136.233 74.4734 71.0036 74.4734 127.592 -67.0843 71.0033 -67.085 280.715 GPRESSURE: 4408600 -134.53 36.7376 34.4623 147.717 194.663 -32.5019 -15.4181 -47.8318 303.642 PRESSAVG: 4408600 3.80515 -32.5073 -9.78876 -32.5073 35.1999 -69.3812 -9.78877 -69.3811 40.087 GPRESSAVG: 4408600 3.47991 -33.1919 -10.1776 -33.285 35.7588 -70.6106 -11.5806 -68.5246 39.0783 TIMING: 4408600 CPU: 13245.8, 0.00300616/step Wall: 13245.8, 0.00300616/step, 0.493846 hours remaining, 209.074219 MB of memory in use. ENERGY: 4408600 749.6811 2070.0153 1947.8157 121.7212 -206550.2471 18201.9695 0.0000 0.0000 34164.0540 -149294.9903 298.3632 -183459.0444 -149201.6187 298.4160 90.6915 121.2586 557233.2115 26.3640 26.1057 PRESSURE: 4408800 155.232 -146.351 106.934 -146.351 214.495 -24.6661 106.935 -24.6655 40.4748 GPRESSURE: 4408800 204.301 -132.801 109.395 -107.616 165.93 -82.8994 -16.7746 -15.6462 143.602 PRESSAVG: 4408800 -4.30267 2.40801 0.799924 2.40801 12.0772 -20.7958 0.799908 -20.7957 30.2075 GPRESSAVG: 4408800 -4.43469 2.74007 2.45481 3.78119 11.1926 -21.0456 1.87064 -21.6773 30.7509 TIMING: 4408800 CPU: 13246.4, 0.00298755/step Wall: 13246.4, 0.00298755/step, 0.490622 hours remaining, 209.074219 MB of memory in use. ENERGY: 4408800 730.8951 2073.2277 1954.2552 114.1410 -206693.4428 18127.8013 0.0000 0.0000 34400.5734 -149292.5491 300.4288 -183693.1225 -149194.6998 299.2135 136.7340 171.2779 557242.3181 12.6607 12.5029 PRESSURE: 4409000 -71.8472 -22.6958 46.9707 -22.6959 30.7178 171.481 46.9714 171.48 -47.8703 GPRESSURE: 4409000 -44.7228 -49.6169 120.732 -54.8656 96.2359 152.704 15.3246 201.174 -34.6721 PRESSAVG: 4409000 -21.4113 19.1446 20.9101 19.1446 7.54748 23.4462 20.9101 23.4462 30.5922 GPRESSAVG: 4409000 -20.4761 17.0984 17.2394 18.8419 7.43809 24.3836 21.6795 23.6244 29.9872 TIMING: 4409000 CPU: 13247, 0.00296951/step Wall: 13247, 0.00296951/step, 0.487494 hours remaining, 209.074219 MB of memory in use. ENERGY: 4409000 770.9684 2014.3862 1959.6461 109.3626 -206317.8187 17864.3313 0.0000 0.0000 34301.3372 -149297.7869 299.5621 -183599.1241 -149201.4262 299.2586 -29.6666 5.6137 556397.4221 5.5762 5.6497 PRESSURE: 4409200 36.8372 78.3152 17.4647 78.3141 68.8783 155.276 17.4642 155.277 251.093 GPRESSURE: 4409200 36.7905 -30.3518 66.79 61.6507 173.054 139.544 43.0486 235.738 244.875 PRESSAVG: 4409200 85.2534 -1.47539 -12.9812 -1.4755 -1.78339 -5.15359 -12.9811 -5.1536 -9.93734 GPRESSAVG: 4409200 84.4774 -0.711058 -9.4565 -1.20419 -0.429192 -4.85575 -13.9028 -5.09054 -10.6316 TIMING: 4409200 CPU: 13247.5, 0.00297124/step Wall: 13247.5, 0.00297124/step, 0.487614 hours remaining, 209.132812 MB of memory in use. ENERGY: 4409200 770.5341 2071.7317 1939.4295 104.9130 -206192.6835 17929.7256 0.0000 0.0000 34209.4824 -149166.8672 298.7599 -183376.3496 -149074.1538 299.2465 118.9360 151.5730 556535.7178 24.5109 24.4722 PRESSURE: 4409400 29.8208 93.1723 93.5205 93.1728 57.3813 -25.3629 93.5214 -25.3634 24.3575 GPRESSURE: 4409400 82.2136 122.95 26.6641 83.4695 99.5734 -55.5489 121.415 32.5062 32.2591 PRESSAVG: 4409400 -65.9714 27.0168 -1.30555 27.0167 14.6697 -14.216 -1.3056 -14.2161 4.91229 GPRESSAVG: 4409400 -65.9385 29.2057 -1.86275 26.2574 14.8563 -15.3084 -0.839247 -14.1821 4.22719 TIMING: 4409400 CPU: 13248.1, 0.00297303/step Wall: 13248.1, 0.00297303/step, 0.487742 hours remaining, 209.132812 MB of memory in use. ENERGY: 4409400 759.7752 2079.8928 1963.9410 113.9922 -206385.4790 18038.5363 0.0000 0.0000 34124.1331 -149305.2085 298.0145 -183429.3415 -149210.2922 299.3948 37.1865 71.3487 557995.9870 -15.4631 -15.6183 PRESSURE: 4409600 -4.34897 -78.5208 -43.7589 -78.5204 -39.5322 153.318 -43.7595 153.32 -64.5242 GPRESSURE: 4409600 10.2868 -61.8043 -45.3136 -12.3325 -46.7077 168.507 -47.6455 136.793 18.5935 PRESSAVG: 4409600 -20.033 -8.39911 -14.05 -8.39911 17.102 27.8299 -14.05 27.83 5.77388 GPRESSAVG: 4409600 -20.9231 -10.4351 -13.7427 -7.72183 16.3863 28.8561 -12.5681 28.4081 7.78381 TIMING: 4409600 CPU: 13248.7, 0.00298837/step Wall: 13248.7, 0.00298837/step, 0.490093 hours remaining, 209.132812 MB of memory in use. ENERGY: 4409600 733.7966 2127.9787 1914.6454 101.9532 -206062.8233 17668.8308 0.0000 0.0000 34384.6901 -149130.9285 300.2901 -183515.6186 -149031.3236 299.2655 -36.1351 -5.9425 556747.4973 0.9476 1.0823 PRESSURE: 4409800 -129.115 94.267 -36.8631 94.2676 -85.375 -0.116569 -36.8625 -0.118026 -23.6906 GPRESSURE: 4409800 -119.696 91.5165 22.358 38.3083 -23.4993 -3.18004 -95.5092 15.9223 -6.6621 PRESSAVG: 4409800 -2.96504 28.1702 -37.596 28.1701 -51.1404 8.02582 -37.596 8.02573 34.0955 GPRESSAVG: 4409800 -1.34913 27.8188 -40.6494 27.9431 -52.0245 8.05239 -36.7629 7.43195 33.6629 TIMING: 4409800 CPU: 13249.3, 0.0030091/step Wall: 13249.3, 0.0030091/step, 0.493326 hours remaining, 209.132812 MB of memory in use. ENERGY: 4409800 745.8259 2082.7213 1954.8903 114.5992 -206272.0053 17715.5218 0.0000 0.0000 34394.5651 -149263.8818 300.3763 -183658.4469 -149166.4505 299.4232 -79.3937 -49.9524 557817.4924 -6.6700 -6.5703 PRESSURE: 4410000 359.852 -82.9205 -79.4768 -82.9207 247.404 1.63471 -79.4783 1.63648 49.2628 GPRESSURE: 4410000 346.802 -103.975 -153.863 -135.407 293.052 -45.9055 -87.1767 -3.045 113.219 PRESSAVG: 4410000 67.7676 21.6387 -6.62548 21.6386 -31.0777 -15.5273 -6.62552 -15.5274 -46.8543 GPRESSAVG: 4410000 65.4217 24.092 -5.86163 20.2377 -28.8599 -15.7144 -6.93934 -13.3844 -46.9876 TIMING: 4410000 CPU: 13249.9, 0.00299803/step Wall: 13249.9, 0.00299803/step, 0.491344 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: 4410000 777.9271 2047.7897 1936.5080 110.7251 -206688.9217 18251.8912 0.0000 0.0000 34370.1716 -149193.9092 300.1633 -183564.0807 -149097.3146 299.8833 218.8397 251.0242 556798.2187 -3.3881 -3.4753 PRESSURE: 4410200 5.48991 -53.3743 101.801 -53.3737 -126.762 -109.985 101.8 -109.986 -314.078 GPRESSURE: 4410200 32.7663 -77.5418 134.553 -26.0494 -71.8517 -129.49 58.4768 -124.483 -308.244 PRESSAVG: 4410200 2.79171 -3.08041 -15.2072 -3.08041 -3.05784 8.00035 -15.2071 8.0004 2.00572 GPRESSAVG: 4410200 4.2809 -6.32931 -13.2714 -0.166685 -3.9218 9.38813 -16.4947 8.17448 1.42025 TIMING: 4410200 CPU: 13250.5, 0.00296722/step Wall: 13250.5, 0.00296722/step, 0.486129 hours remaining, 209.132812 MB of memory in use. ENERGY: 4410200 722.6304 2081.1449 1932.9198 105.3984 -205765.9514 17465.2236 0.0000 0.0000 34269.6899 -149188.9444 299.2857 -183458.6343 -149094.3754 299.7651 -145.1166 -115.7763 557726.4261 0.5799 0.5931 PRESSURE: 4410400 -31.3003 144.921 58.685 144.922 225.933 -142.42 58.6854 -142.421 -3.08016 GPRESSURE: 4410400 29.789 169.203 83.3493 151.003 240.734 -70.4559 44.4442 -168.429 7.75451 PRESSAVG: 4410400 32.8154 30.2357 -13.5619 30.2357 -8.99683 2.33326 -13.562 2.33317 -14.4456 GPRESSAVG: 4410400 33.1867 30.7584 -11.67 28.6984 -9.22475 3.1013 -16.1245 -1.33122 -14.5603 TIMING: 4410400 CPU: 13251.1, 0.00296745/step Wall: 13251.1, 0.00296745/step, 0.486003 hours remaining, 209.132812 MB of memory in use. ENERGY: 4410400 761.4024 2122.2507 1936.0450 106.3009 -206190.8344 17873.6290 0.0000 0.0000 34355.7968 -149035.4095 300.0377 -183391.2063 -148946.8186 299.0361 63.8510 92.7591 558308.2132 3.1243 3.1339 PRESSURE: 4410600 -234.25 12.4663 -79.9842 12.4662 -38.1837 -306.192 -79.9847 -306.191 -172.929 GPRESSURE: 4410600 -148.273 -78.9633 -153.187 67.2232 8.3356 -304.59 -69.7788 -225.651 -215.784 PRESSAVG: 4410600 14.0671 44.5703 -33.5689 44.5703 47.4418 -36.8924 -33.5689 -36.8925 -70.6582 GPRESSAVG: 4410600 14.5152 43.423 -35.8596 46.4254 48.0802 -38.7758 -30.8834 -35.632 -71.512 TIMING: 4410600 CPU: 13251.7, 0.00298951/step Wall: 13251.7, 0.00298951/step, 0.489449 hours remaining, 209.132812 MB of memory in use. ENERGY: 4410600 799.3985 2033.8537 1915.9310 121.6792 -205987.1454 17834.1295 0.0000 0.0000 34272.5823 -149009.5712 299.3110 -183282.1535 -148912.4672 299.7920 -148.4542 -118.5737 559499.5621 -3.0498 -2.9722 PRESSURE: 4410800 54.3095 152.959 37.5307 152.961 207.579 -83.1994 37.5303 -83.199 -2.12066 GPRESSURE: 4410800 115.282 119.177 -43.859 155.217 207.725 -77.027 72.7172 -81.5954 25.5878 PRESSAVG: 4410800 27.2832 -7.91441 -15.3813 -7.9144 62.7859 -64.0209 -15.3813 -64.021 -63.0378 GPRESSAVG: 4410800 27.4042 -7.55343 -14.4866 -8.68817 61.7059 -64.9005 -16.3517 -63.116 -61.8425 TIMING: 4410800 CPU: 13252.3, 0.00294552/step Wall: 13252.3, 0.00294552/step, 0.482084 hours remaining, 209.132812 MB of memory in use. ENERGY: 4410800 728.4536 2122.6507 1944.4992 113.0814 -206279.5672 18053.8637 0.0000 0.0000 34329.5351 -148987.4835 299.8084 -183317.0186 -148894.6773 299.8422 86.5893 116.1984 558590.7823 9.0104 9.0892 PRESSURE: 4411000 63.5895 -107.423 -69.4087 -107.424 86.2168 21.8917 -69.4096 21.8913 -27.5744 GPRESSURE: 4411000 94.3784 -98.9394 36.9529 -100.221 141.248 -58.318 -107.875 0.449265 -7.59182 PRESSAVG: 4411000 -70.7257 1.42016 -16.1553 1.42012 73.0058 -34.9818 -16.1553 -34.9819 -25.8508 GPRESSAVG: 4411000 -71.1598 2.86084 -16.7145 1.38587 72.5849 -36.4097 -15.9475 -33.4775 -25.5423 TIMING: 4411000 CPU: 13252.9, 0.00299329/step Wall: 13252.9, 0.00299329/step, 0.489736 hours remaining, 209.132812 MB of memory in use. ENERGY: 4411000 750.3177 2112.2417 1931.2482 118.5584 -206219.8788 17871.4636 0.0000 0.0000 34237.4917 -149198.5574 299.0045 -183436.0491 -149097.2540 299.2401 40.7440 76.0114 557158.7383 -7.8569 -8.0391 PRESSURE: 4411200 -79.8872 49.1688 43.2097 49.169 92.3989 -17.308 43.2106 -17.308 244.727 GPRESSURE: 4411200 1.98638 -45.6391 -53.2616 7.11211 136.976 5.04299 16.9658 26.0266 213.271 PRESSAVG: 4411200 33.0672 -31.4109 -10.7072 -31.4109 56.454 11.0183 -10.7071 11.0183 -101.453 GPRESSAVG: 4411200 32.9271 -32.5414 -8.53884 -32.0519 57.7565 14.3301 -11.9816 9.30999 -102.445 TIMING: 4411200 CPU: 13253.5, 0.0029638/step Wall: 13253.5, 0.0029638/step, 0.484747 hours remaining, 209.132812 MB of memory in use. ENERGY: 4411200 724.0794 2085.6007 1929.0660 113.4115 -206275.3962 17787.5187 0.0000 0.0000 34382.7582 -149252.9617 300.2732 -183635.7200 -149155.4367 299.9255 85.7462 117.4111 555870.9023 -3.9772 -3.9204 PRESSURE: 4411400 -102.909 -45.9989 -172.087 -45.9992 -6.24339 -16.1518 -172.089 -16.151 -140.152 GPRESSURE: 4411400 -31.8135 -36.3551 -149.772 -5.3502 11.1885 3.97101 -157.631 -99.4922 -117.147 PRESSAVG: 4411400 -11.6841 -32.2786 2.97232 -32.2787 22.9257 -31.9953 2.97229 -31.9954 -28.5724 GPRESSAVG: 4411400 -11.4601 -29.8333 -0.0229605 -32.8714 22.0349 -33.1074 3.69415 -33.1217 -27.7524 TIMING: 4411400 CPU: 13254.1, 0.0029433/step Wall: 13254.1, 0.0029433/step, 0.481229 hours remaining, 209.304688 MB of memory in use. ENERGY: 4411400 708.2998 2088.1144 1931.9729 106.4708 -206068.4079 17648.7360 0.0000 0.0000 34330.2391 -149254.5749 299.8145 -183584.8141 -149156.3680 299.4168 -83.1015 -45.9240 556631.8393 -5.7769 -5.7258 PRESSURE: 4411600 118.313 75.5814 -51.1849 75.5806 -243.642 79.73 -51.1853 79.7314 -231.044 GPRESSURE: 4411600 153.674 56.4735 -16.6682 85.0733 -240.953 8.91397 -23.8813 87.2232 -169.542 PRESSAVG: 4411600 24.274 -44.0162 -7.43068 -44.0163 -21.2278 -46.4077 -7.4307 -46.4077 22.8805 GPRESSAVG: 4411600 24.0895 -45.6637 -7.15683 -42.6682 -20.4068 -46.0571 -4.64855 -46.0604 22.0009 TIMING: 4411600 CPU: 13254.7, 0.00293161/step Wall: 13254.7, 0.00293161/step, 0.479155 hours remaining, 209.304688 MB of memory in use. ENERGY: 4411600 746.5112 2090.2058 1929.4786 110.2154 -205865.5471 17611.3665 0.0000 0.0000 34188.1178 -149189.6516 298.5733 -183377.7694 -149090.5357 298.9862 -118.7910 -85.6068 557868.0920 8.6422 8.5612 PRESSURE: 4411800 132.407 6.42808 -105.322 6.42787 82.0098 -313.562 -105.321 -313.561 76.9707 GPRESSURE: 4411800 174.887 147.649 -43.9817 -131.318 145.477 -309.823 -163.836 -255.109 59.9816 PRESSAVG: 4411800 -12.5771 -1.78116 -12.2835 -1.78101 20.6708 -24.9955 -12.2834 -24.9955 10.0666 GPRESSAVG: 4411800 -12.0271 -2.36154 -12.7293 -2.5365 19.8401 -24.5825 -15.5179 -24.5447 10.8774 TIMING: 4411800 CPU: 13255.3, 0.00297227/step Wall: 13255.3, 0.00297227/step, 0.485635 hours remaining, 209.304688 MB of memory in use. ENERGY: 4411800 715.6600 2085.2253 1932.8211 112.9249 -206248.1428 17915.8896 0.0000 0.0000 34078.6713 -149406.9505 297.6175 -183485.6218 -149308.5616 299.1499 97.1291 126.7819 557573.5992 6.0534 6.2302 PRESSURE: 4412000 482.728 -275.596 -103.68 -275.596 -95.7163 142.57 -103.679 142.571 130.499 GPRESSURE: 4412000 478.031 -201.11 -107.229 -234.501 -29.4109 128.756 -96.5482 85.446 175.826 PRESSAVG: 4412000 -31.9889 -5.16276 -41.4899 -5.16276 -27.2784 -3.22331 -41.4899 -3.22341 81.0659 GPRESSAVG: 4412000 -31.7144 -3.73029 -40.6138 -4.77541 -26.0247 -2.70318 -38.7487 -3.69474 80.0451 TIMING: 4412000 CPU: 13255.9, 0.00297458/step Wall: 13255.9, 0.00297458/step, 0.485847 hours remaining, 209.304688 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: 4412000 750.2264 2044.5906 1912.8922 113.9199 -206785.6051 18149.7910 0.0000 0.0000 34532.2879 -149281.8971 301.5791 -183814.1850 -149179.3355 299.0169 172.5038 208.1489 556249.4650 7.2662 7.4353 PRESSURE: 4412200 -284.134 -43.1614 -106.303 -43.1607 284.812 206.238 -106.303 206.237 20.3559 GPRESSURE: 4412200 -283.596 -14.7703 -96.1111 -6.19464 334.398 212.5 -97.315 184.229 63.7126 PRESSAVG: 4412200 -16.6498 -72.7032 -25.6755 -72.7031 -19.5031 3.13243 -25.6755 3.13257 34.2025 GPRESSAVG: 4412200 -15.8225 -74.594 -25.3318 -72.2237 -20.6674 1.76938 -26.4269 1.94372 34.1835 TIMING: 4412200 CPU: 13256.5, 0.00296187/step Wall: 13256.5, 0.00296187/step, 0.483607 hours remaining, 209.304688 MB of memory in use. ENERGY: 4412200 752.6680 2035.8903 1931.3465 116.6968 -206295.1219 17809.5415 0.0000 0.0000 34374.6983 -149274.2805 300.2028 -183648.9788 -149186.6760 298.8509 7.0113 38.1716 556066.1664 -0.6501 -0.7688 LDB: ============= START OF LOAD BALANCING ============== 13260 LDB: ============== END OF LOAD BALANCING =============== 13260 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13260 LDB: ============= START OF LOAD BALANCING ============== 13260.3 LDB: Largest compute 4773 load 0.029039 is 24.6% of average load 0.118057 LDB: Average compute 0.001733 is 1.5% of average load 0.118057 LDB: TIME 13260.3 LOAD: AVG 0.118057 MAX 0.202995 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.234 MB LDB: TIME 13260.3 LOAD: AVG 0.118057 MAX 0.202995 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.438 MB LDB: TIME 13260.3 LOAD: AVG 0.118057 MAX 0.202995 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.438 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13260.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13260.3 PRESSURE: 4412400 -250.058 -9.95284 106.979 -9.95182 -45.7282 -12.3416 106.979 -12.3428 111.477 GPRESSURE: 4412400 -208.507 4.25729 77.1608 2.09095 22.3301 -7.48363 178.824 -51.4791 89.254 PRESSAVG: 4412400 -36.9247 -26.0482 16.5152 -26.0482 -12.7027 15.5303 16.5151 15.5304 54.1519 GPRESSAVG: 4412400 -36.8027 -23.9305 17.1773 -26.8068 -12.4797 15.3097 15.1189 17.494 54.2499 TIMING: 4412400 CPU: 13257.1, 0.00302346/step Wall: 13257.1, 0.00302346/step, 0.493496 hours remaining, 209.234375 MB of memory in use. ENERGY: 4412400 745.7338 2093.9713 1942.1703 120.4293 -206399.8506 17914.8312 0.0000 0.0000 34393.6473 -149189.0673 300.3683 -183582.7146 -149091.0752 299.9035 -61.4363 -32.3078 558817.8163 1.5082 1.6558 PRESSURE: 4412600 128.419 -2.27319 -48.6492 -2.27334 -114.212 -74.0697 -48.649 -74.0697 93.7266 GPRESSURE: 4412600 146.791 -34.1627 24.3483 17.7635 -70.0237 -140.516 -115.509 7.31895 120.228 PRESSAVG: 4412600 37.7417 12.7785 -4.81096 12.7783 -16.9906 -28.098 -4.81092 -28.0979 -57.28 GPRESSAVG: 4412600 37.7969 9.62035 -5.05514 13.1369 -15.8107 -27.0242 -5.06608 -28.3756 -57.7295 TIMING: 4412600 CPU: 13257.7, 0.00295675/step Wall: 13257.7, 0.00295675/step, 0.482442 hours remaining, 209.234375 MB of memory in use. ENERGY: 4412600 752.2197 2039.0837 1899.9660 110.1592 -206016.3110 17793.1436 0.0000 0.0000 34244.6132 -149177.1255 299.0667 -183421.7387 -149075.8438 299.2043 35.9779 65.6652 556605.2946 -12.1763 -11.9144 PRESSURE: 4412800 44.2051 -60.969 -75.8121 -60.968 -228.871 47.3229 -75.8132 47.3231 -335.533 GPRESSURE: 4412800 64.466 27.1502 -99.392 -51.2661 -168.155 99.7595 21.2949 31.8854 -314.468 PRESSAVG: 4412800 26.4401 31.7273 3.60749 31.7272 -32.3311 -30.8601 3.60752 -30.8602 11.6743 GPRESSAVG: 4412800 26.057 35.7739 3.54771 32.3525 -33.4771 -30.3866 4.92957 -30.0687 12.5781 TIMING: 4412800 CPU: 13258.2, 0.00294765/step Wall: 13258.2, 0.00294765/step, 0.480795 hours remaining, 209.234375 MB of memory in use. ENERGY: 4412800 764.1234 2050.2654 1919.3352 117.4705 -205951.1587 17634.3541 0.0000 0.0000 34384.2260 -149081.3840 300.2860 -183465.6100 -148986.6559 299.7488 -173.3997 -139.3858 558132.5899 1.9278 1.7194 PRESSURE: 4413000 -41.4461 -152.189 -54.795 -152.188 288.558 -48.994 -54.795 -48.9934 87.0981 GPRESSURE: 4413000 -36.826 -202.157 -120.124 -58.1277 313.954 -30.9118 -38.636 -4.02308 154.274 PRESSAVG: 4413000 0.485617 -46.6738 -17.8852 -46.6737 9.99941 -55.1803 -17.8851 -55.1803 -3.6553 GPRESSAVG: 4413000 -0.203365 -49.577 -18.9072 -46.1906 11.0658 -54.6156 -17.7592 -57.4502 -3.96267 TIMING: 4413000 CPU: 13258.8, 0.00294554/step Wall: 13258.8, 0.00294554/step, 0.480287 hours remaining, 209.234375 MB of memory in use. ENERGY: 4413000 742.9730 2051.8670 1924.0924 109.8348 -205673.7273 17737.8305 0.0000 0.0000 34145.3023 -148961.8273 298.1994 -183107.1296 -148858.5859 300.1033 111.4032 143.8009 558697.1103 2.2766 2.2999 PRESSURE: 4413200 -241.488 127.578 89.8745 127.576 -57.2265 64.5225 89.875 64.5219 -121.432 GPRESSURE: 4413200 -189.386 41.6499 16.6249 195.281 -71.1442 38.0767 86.9697 103.99 -58.4348 PRESSAVG: 4413200 -39.661 -28.4101 -7.91642 -28.4101 35.4208 -33.6176 -7.91636 -33.6176 -24.9046 GPRESSAVG: 4413200 -38.7884 -27.8474 -6.94961 -28.8377 35.3423 -33.3778 -7.63405 -31.1292 -25.198 TIMING: 4413200 CPU: 13259.4, 0.00296234/step Wall: 13259.4, 0.00296234/step, 0.482862 hours remaining, 209.234375 MB of memory in use. ENERGY: 4413200 715.1149 2067.5296 1900.1883 114.3112 -205801.0280 17776.7611 0.0000 0.0000 34289.0280 -148938.0949 299.4546 -183227.1229 -148845.1981 299.6331 -140.0485 -106.3218 561309.0046 -9.7149 -9.5481 PRESSURE: 4413400 -202.844 11.2988 -66.3505 11.2983 146.633 94.0126 -66.3499 94.0129 -66.0674 GPRESSURE: 4413400 -155.321 -62.6686 -83.6283 49.2848 168.025 148.045 -91.0653 34.6114 -27.9654 PRESSAVG: 4413400 -49.7914 32.7323 30.0102 32.7323 52.9876 45.7246 30.0103 45.7245 -21.7924 GPRESSAVG: 4413400 -48.888 31.5932 28.7775 32.226 51.7068 44.5706 29.0598 44.9595 -20.9505 TIMING: 4413400 CPU: 13260, 0.00296228/step Wall: 13260, 0.00296228/step, 0.482687 hours remaining, 209.234375 MB of memory in use. ENERGY: 4413400 730.1204 2065.6589 1925.1402 114.6025 -205829.3485 17639.9714 0.0000 0.0000 34388.1573 -148965.6980 300.3203 -183353.8553 -148873.6733 300.4075 -40.7593 -5.0871 559516.7440 -6.1987 -6.0439 PRESSURE: 4413600 -173.151 64.7125 30.5234 64.7142 -64.904 -20.6608 30.5247 -20.6598 62.2788 GPRESSURE: 4413600 -125.683 77.7185 9.84552 111.615 -68.3045 -68.9311 61.4565 6.93982 106.321 PRESSAVG: 4413600 -24.6249 9.22547 23.4935 9.22549 86.6486 -3.49701 23.4935 -3.49706 -23.2055 GPRESSAVG: 4413600 -25.6706 11.0344 24.4673 8.56732 86.5988 -3.27747 25.6075 -3.6056 -22.0943 TIMING: 4413600 CPU: 13260.6, 0.00296452/step Wall: 13260.6, 0.00296452/step, 0.482887 hours remaining, 209.234375 MB of memory in use. ENERGY: 4413600 736.1775 2115.8547 1909.3735 114.5687 -205800.0697 17617.2466 0.0000 0.0000 34452.1801 -148854.6687 300.8795 -183306.8487 -148752.0070 300.0467 -58.5922 -29.2220 558704.5323 12.9394 12.9446 PRESSURE: 4413800 -158.434 -35.7259 160.195 -35.7262 -62.0063 65.4899 160.194 65.4887 -87.3194 GPRESSURE: 4413800 -121.736 -67.1225 5.62779 -32.9911 -5.13994 113.759 150.04 14.7851 -87.5794 PRESSAVG: 4413800 -52.0932 -1.1433 3.45374 -1.14338 58.4404 -40.243 3.45384 -40.2431 -12.3434 GPRESSAVG: 4413800 -51.6391 -0.190432 2.28269 -1.80003 58.7683 -39.7036 2.03029 -41.2319 -13.6628 TIMING: 4413800 CPU: 13261.2, 0.00296343/step Wall: 13261.2, 0.00296343/step, 0.482546 hours remaining, 209.234375 MB of memory in use. ENERGY: 4413800 726.7369 2096.5248 1939.7756 106.4799 -205896.6398 17649.1811 0.0000 0.0000 34337.9963 -149039.9453 299.8823 -183377.9415 -148945.2019 299.9998 -102.5867 -71.4853 558666.7524 -1.9988 -2.1779 PRESSURE: 4414000 -125.638 131.838 18.2055 131.837 -425.275 95.062 18.2054 95.0629 -141.228 GPRESSURE: 4414000 -122.814 194.238 99.7219 101.422 -383.204 166.667 -41.8267 117.42 -85.1417 PRESSAVG: 4414000 -42.1591 46.3141 -20.8941 46.3141 107.594 -18.3607 -20.8941 -18.3608 -48.1633 GPRESSAVG: 4414000 -42.4547 43.9765 -19.5344 47.4256 107.701 -18.1665 -21.6188 -15.2971 -48.3788 TIMING: 4414000 CPU: 13261.8, 0.00298529/step Wall: 13261.8, 0.00298529/step, 0.485939 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: 4414000 766.9703 2122.7756 1922.4365 106.7928 -205700.1567 17459.1161 0.0000 0.0000 34296.7593 -149025.3060 299.5221 -183322.0654 -148920.1246 300.2243 -230.7136 -197.0534 558230.6369 5.7572 5.6225 PRESSURE: 4414200 318.444 -139.46 9.45295 -139.461 125.442 -144.791 9.45255 -144.791 167.616 GPRESSURE: 4414200 338.086 -142.411 18.5041 -181.254 177.124 -85.342 -49.2241 -179.941 192.923 PRESSAVG: 4414200 -25.3368 15.773 -45.4873 15.7729 59.3422 16.1211 -45.4874 16.1211 -32.6091 GPRESSAVG: 4414200 -26.5125 17.0131 -45.8445 14.4853 58.7655 16.3059 -44.2711 14.6931 -31.1131 TIMING: 4414200 CPU: 13262.4, 0.00295698/step Wall: 13262.4, 0.00295698/step, 0.481166 hours remaining, 209.234375 MB of memory in use. ENERGY: 4414200 710.7063 2104.3459 1948.5870 112.9706 -206100.1533 17912.6889 0.0000 0.0000 34282.7988 -149028.0556 299.4002 -183310.8544 -148926.9302 300.1010 203.8341 236.0443 556678.1992 0.4654 0.3800 PRESSURE: 4414400 22.3916 -62.4732 -35.8211 -62.4743 130.17 -154.8 -35.8206 -154.799 -184.557 GPRESSURE: 4414400 56.8456 53.4551 5.93352 -66.2944 157.854 -184.05 -50.7924 -145.646 -155.861 PRESSAVG: 4414400 42.6134 29.8082 -22.563 29.8082 67.617 -37.8208 -22.5631 -37.8207 -78.3217 GPRESSAVG: 4414400 43.3702 28.8866 -23.3401 31.1249 67.4997 -39.2921 -24.3767 -38.571 -79.106 TIMING: 4414400 CPU: 13263, 0.00297041/step Wall: 13263, 0.00297041/step, 0.483186 hours remaining, 209.234375 MB of memory in use. ENERGY: 4414400 736.0090 2089.8932 1924.2998 100.9885 -206043.2081 17658.3848 0.0000 0.0000 34537.2032 -148996.4295 301.6220 -183533.6327 -148894.1904 300.1311 -10.6649 19.6127 556611.6308 10.6362 10.5880 PRESSURE: 4414600 -41.2107 -116.798 222.974 -116.798 184.16 6.22031 222.973 6.22004 -75.117 GPRESSURE: 4414600 -20.7408 -154.62 219.232 -120.313 234.786 19.9967 284.039 -1.07389 -35.367 PRESSAVG: 4414600 -71.3226 36.7281 40.1854 36.7281 65.6809 17.6467 40.1853 17.6467 42.9988 GPRESSAVG: 4414600 -71.4119 36.7485 40.494 37.8536 66.0425 18.4267 41.9776 18.8904 42.1261 TIMING: 4414600 CPU: 13263.6, 0.00297076/step Wall: 13263.6, 0.00297076/step, 0.483078 hours remaining, 209.234375 MB of memory in use. ENERGY: 4414600 758.9735 2120.8319 1940.1238 120.7213 -206144.5368 17994.2345 0.0000 0.0000 34223.0943 -148986.5576 298.8788 -183209.6519 -148894.4484 299.7484 22.6108 59.5595 557467.6427 12.4524 12.2522 PRESSURE: 4414800 26.2397 -33.6489 60.1872 -33.6486 -131.354 -59.6967 60.1874 -59.697 -218.214 GPRESSURE: 4414800 46.6482 -13.44 38.7893 -41.9176 -104.805 0.178243 54.8856 -90.2829 -165.089 PRESSAVG: 4414800 -23.3876 12.883 13.3586 12.8829 -26.8143 24.6633 13.3586 24.6632 28.4712 GPRESSAVG: 4414800 -25.3323 15.4157 13.5897 12.6035 -25.2811 26.0719 13.6651 23.8506 29.3351 TIMING: 4414800 CPU: 13264.2, 0.00296212/step Wall: 13264.2, 0.00296212/step, 0.481509 hours remaining, 209.234375 MB of memory in use. ENERGY: 4414800 756.1868 2050.4197 1929.3626 112.4657 -205641.4616 17564.7691 0.0000 0.0000 34391.1156 -148837.1420 300.3462 -183228.2576 -148740.8488 300.1973 -107.7760 -74.4154 557843.5403 -7.2436 -7.0928 PRESSURE: 4415000 -185.612 201.52 -105.435 201.52 -355.525 49.0299 -105.436 49.031 117.939 GPRESSURE: 4415000 -121.544 160.043 -145.727 126.541 -293.07 110.96 16.804 -21.6916 91.0158 PRESSAVG: 4415000 -52.9839 86.1392 -57.9446 86.1392 -23.2053 15.0486 -57.9446 15.0486 46.0809 GPRESSAVG: 4415000 -52.1981 85.0828 -59.0896 85.2969 -23.4329 16.1818 -57.721 13.6169 45.7813 TIMING: 4415000 CPU: 13264.8, 0.00294593/step Wall: 13264.8, 0.00294593/step, 0.478714 hours remaining, 209.234375 MB of memory in use. ENERGY: 4415000 721.1950 2045.3137 1930.3819 95.6679 -205789.8928 17546.0941 0.0000 0.0000 34415.8782 -149035.3620 300.5624 -183451.2402 -148930.8637 300.4365 -141.0662 -107.8660 558510.3096 -10.0361 -9.9499 PRESSURE: 4415200 -209.923 -14.8252 -169.944 -14.8261 -58.2766 -81.6399 -169.944 -81.6425 -140.997 GPRESSURE: 4415200 -159.78 16.5263 -279.771 -23.4873 -29.7689 -59.8792 -79.4097 -68.6536 -113.073 PRESSAVG: 4415200 26.5131 4.21181 -39.2675 4.21181 -39.0175 15.4289 -39.2675 15.4289 23.5211 GPRESSAVG: 4415200 26.8656 2.62725 -39.6859 4.41031 -39.3354 14.7243 -38.3716 17.3444 23.0856 TIMING: 4415200 CPU: 13265.4, 0.00297946/step Wall: 13265.4, 0.00297946/step, 0.483997 hours remaining, 209.234375 MB of memory in use. ENERGY: 4415200 752.9057 2134.7455 1922.1012 117.7802 -205799.0626 17689.7983 0.0000 0.0000 34171.0663 -149010.6654 298.4244 -183181.7317 -148918.9569 299.3891 -136.3990 -100.8739 558804.3167 3.6722 3.5386 PRESSURE: 4415400 111.26 -14.9937 -72.775 -14.9952 213.982 -112.688 -72.7741 -112.687 56.7641 GPRESSURE: 4415400 120.182 4.45054 12.0698 -90.3644 277.506 -35.1445 -153.117 -105.304 82.2057 PRESSAVG: 4415400 -44.0349 6.70018 -27.2496 6.70025 101.149 59.8106 -27.2495 59.8107 -50.455 GPRESSAVG: 4415400 -43.3209 8.70633 -25.489 4.9081 101.037 57.7252 -30.0933 60.9134 -50.6842 TIMING: 4415400 CPU: 13266, 0.00296339/step Wall: 13266, 0.00296339/step, 0.481222 hours remaining, 209.234375 MB of memory in use. ENERGY: 4415400 744.4587 2141.4070 1924.0272 106.5013 -206367.8123 18127.8577 0.0000 0.0000 34366.6829 -148956.8774 300.1328 -183323.5603 -148864.6828 299.8556 127.3353 159.9644 557308.3617 2.2196 2.3439 PRESSURE: 4415600 29.678 91.7998 -118.057 91.799 -59.7633 -150.809 -118.057 -150.808 145.129 GPRESSURE: 4415600 6.24004 39.5756 -167.252 32.6739 24.9688 -102.176 -49.7794 -195.075 176.819 PRESSAVG: 4415600 -23.3589 -6.10974 9.14454 -6.10959 -24.6414 -1.76851 9.14451 -1.7684 48.4519 GPRESSAVG: 4415600 -24.6425 -6.09118 9.14557 -3.42357 -24.6893 -0.313604 10.1717 -2.33096 49.8326 TIMING: 4415600 CPU: 13266.5, 0.00296113/step Wall: 13266.5, 0.00296113/step, 0.480691 hours remaining, 209.234375 MB of memory in use. ENERGY: 4415600 703.4184 2081.8711 1948.2947 102.6166 -205759.6049 17763.8865 0.0000 0.0000 34362.2200 -148797.2976 300.0938 -183159.5176 -148706.7744 300.2313 38.3478 69.3425 558675.2581 0.1505 0.1669 PRESSURE: 4415800 93.0519 -61.414 42.5791 -61.4131 95.9132 39.3662 42.5791 39.364 -154.313 GPRESSURE: 4415800 98.511 -143.955 -35.2167 3.8111 180.073 31.744 -1.41822 40.4992 -143.878 PRESSAVG: 4415800 16.5163 11.7396 32.268 11.7396 20.1925 -3.11004 32.268 -3.10998 -9.81916 GPRESSAVG: 4415800 17.5533 11.8222 32.6149 10.7535 19.5913 -2.44765 32.362 -3.5889 -10.8798 TIMING: 4415800 CPU: 13267.1, 0.00298508/step Wall: 13267.1, 0.00298508/step, 0.484413 hours remaining, 209.234375 MB of memory in use. ENERGY: 4415800 740.5859 2079.3904 1920.9678 103.9294 -205657.0428 17607.5348 0.0000 0.0000 34538.1973 -148666.4372 301.6307 -183204.6345 -148578.0081 300.2432 11.5508 44.9021 557232.8873 8.9632 8.7549 PRESSURE: 4416000 -155.902 29.9394 -125.004 29.9381 6.23901 -17.7505 -125.004 -17.7517 -170.175 GPRESSURE: 4416000 -90.6269 9.7254 -146.883 56.9814 31.6328 -8.95364 -144.89 -17.5128 -163.451 PRESSAVG: 4416000 -22.2858 -39.4777 -4.07319 -39.4777 3.69813 11.0735 -4.0732 11.0736 -15.263 GPRESSAVG: 4416000 -23.191 -41.426 -6.60506 -38.3825 4.4433 11.165 -2.88028 12.1669 -14.6742 TIMING: 4416000 CPU: 13267.7, 0.00296487/step Wall: 13267.7, 0.00296487/step, 0.480967 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: 4416000 759.4142 2142.3198 1944.0887 123.4551 -205858.1095 17578.5420 0.0000 0.0000 34452.3355 -148857.9542 300.8808 -183310.2897 -148770.2555 301.8743 -106.6126 -74.1485 557440.9952 -11.2835 -11.1406 PRESSURE: 4416200 -2.32116 -164.476 84.0612 -164.476 -68.5285 1.87448 84.0616 1.87496 62.9637 GPRESSURE: 4416200 7.82185 -42.6729 148.016 -196.73 -47.9532 10.2946 38.7254 13.1276 130.334 PRESSAVG: 4416200 -63.3227 -8.65451 -12.4269 -8.65459 93.9217 -11.3264 -12.4269 -11.3264 -12.3158 GPRESSAVG: 4416200 -63.265 -7.12964 -11.6557 -9.12933 93.0641 -13.3686 -13.4712 -8.99011 -11.5396 TIMING: 4416200 CPU: 13268.3, 0.0029697/step Wall: 13268.3, 0.0029697/step, 0.481586 hours remaining, 209.234375 MB of memory in use. ENERGY: 4416200 763.1129 2094.3552 1923.5053 111.0590 -205994.8667 17910.1616 0.0000 0.0000 34409.0732 -148783.5995 300.5030 -183192.6727 -148689.9866 300.7653 -2.6286 30.0675 556602.5479 6.0944 6.0865 LDB: ============= START OF LOAD BALANCING ============== 13271.8 LDB: ============== END OF LOAD BALANCING =============== 13271.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13271.8 LDB: ============= START OF LOAD BALANCING ============== 13272.1 LDB: Largest compute 4773 load 0.028793 is 24.4% of average load 0.118082 LDB: Average compute 0.001737 is 1.5% of average load 0.118082 LDB: TIME 13272.1 LOAD: AVG 0.118082 MAX 0.20558 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.98 MB LDB: TIME 13272.1 LOAD: AVG 0.118082 MAX 0.20558 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.98 MB LDB: TIME 13272.2 LOAD: AVG 0.118082 MAX 0.20558 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.98 MB LDB: ============== END OF LOAD BALANCING =============== 13272.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13272.2 PRESSURE: 4416400 -76.8394 252.197 25.2622 252.197 -2.84035 -119.627 25.2632 -119.626 67.2523 GPRESSURE: 4416400 -83.9308 183.064 -0.00899081 240.817 111.048 -260.23 60.636 -99.0182 63.7758 PRESSAVG: 4416400 -10.0231 6.62481 -34.6892 6.62483 58.6536 -31.5195 -34.6891 -31.5196 24.2631 GPRESSAVG: 4416400 -9.75242 5.27339 -33.6349 7.09068 58.9624 -31.6417 -35.4859 -33.6569 23.2942 TIMING: 4416400 CPU: 13268.9, 0.00303835/step Wall: 13268.9, 0.00303835/step, 0.492551 hours remaining, 209.234375 MB of memory in use. ENERGY: 4416400 733.5164 2103.0158 1936.9212 110.1441 -205367.4414 17570.6369 0.0000 0.0000 34110.8022 -148802.4049 297.8981 -182913.2071 -148708.8367 300.0240 -4.1425 30.2976 558123.8703 24.2979 24.1681 PRESSURE: 4416600 30.0208 186.579 59.0188 186.578 -199.57 -243.376 59.0186 -243.376 3.69441 GPRESSURE: 4416600 48.947 175.8 6.76363 269.029 -181.227 -278.374 35.9672 -137.251 71.0652 PRESSAVG: 4416600 -31.1699 2.36855 -27.4878 2.36857 46.8955 -89.6141 -27.4879 -89.6139 -13.6904 GPRESSAVG: 4416600 -30.8708 3.23548 -29.0689 2.02091 46.3312 -88.2721 -27.3359 -88.5242 -13.9741 TIMING: 4416600 CPU: 13269.5, 0.00302635/step Wall: 13269.5, 0.00302635/step, 0.490437 hours remaining, 209.437500 MB of memory in use. ENERGY: 4416600 727.8234 2153.7846 1895.8113 99.0404 -205814.1623 17683.5670 0.0000 0.0000 34352.4928 -148901.6428 300.0089 -183254.1357 -148801.4725 300.1648 -55.2850 -20.4050 556992.3905 0.6784 0.4955 PRESSURE: 4416800 192.31 -62.3734 -91.9201 -62.3743 64.6098 1.13947 -91.9191 1.13773 346.359 GPRESSURE: 4416800 309.605 14.4354 -10.0863 -114.024 73.6648 -1.60844 -152.424 21.3219 321.334 PRESSAVG: 4416800 -10.1386 54.2223 5.16809 54.2222 89.6179 -19.3294 5.16816 -19.3294 -65.5073 GPRESSAVG: 4416800 -10.776 53.3996 6.90795 55.0216 90.2913 -18.9853 4.80249 -21.366 -64.9501 TIMING: 4416800 CPU: 13270.1, 0.00301353/step Wall: 13270.1, 0.00301353/step, 0.488192 hours remaining, 209.437500 MB of memory in use. ENERGY: 4416800 731.0297 2078.0990 1941.2419 113.9708 -206169.2723 18011.5151 0.0000 0.0000 34281.0323 -149012.3836 299.3848 -183293.4159 -148919.1320 299.1992 201.0930 234.8678 556297.7983 4.6573 4.8551 PRESSURE: 4417000 -264.359 45.2477 12.8307 45.2485 -240.904 27.7178 12.8302 27.7185 -88.1729 GPRESSURE: 4417000 -242.897 -18.647 0.769949 54.0263 -156.413 -9.51773 55.4739 6.46052 -99.257 PRESSAVG: 4417000 9.0151 -15.7278 25.1632 -15.7277 -26.2869 -40.1151 25.1632 -40.1152 -34.3389 GPRESSAVG: 4417000 9.5997 -16.4626 23.9533 -15.7416 -26.8379 -40.8927 26.2647 -38.3515 -34.1823 TIMING: 4417000 CPU: 13270.7, 0.00299002/step Wall: 13270.7, 0.00299002/step, 0.484217 hours remaining, 209.437500 MB of memory in use. ENERGY: 4417000 792.9636 2031.4881 1924.8583 120.4606 -205870.9254 17571.0135 0.0000 0.0000 34251.5815 -149178.5598 299.1276 -183430.1412 -149078.3841 299.5402 -197.8120 -166.1890 557397.0139 -17.2035 -17.1401 PRESSURE: 4417200 296.482 -29.1647 -179.447 -29.1647 -212.045 117.197 -179.448 117.197 61.1621 GPRESSURE: 4417200 359.379 -42.855 -128.934 -76.6642 -205.597 82.5038 -224.165 166.633 81.194 PRESSAVG: 4417200 -13.4528 68.2831 24.1032 68.283 -47.1411 10.9833 24.1032 10.9833 17.1328 GPRESSAVG: 4417200 -12.6237 67.1666 24.2928 68.5599 -46.0255 12.1207 23.5331 12.2993 15.4276 TIMING: 4417200 CPU: 13271.3, 0.0029813/step Wall: 13271.3, 0.0029813/step, 0.482639 hours remaining, 209.437500 MB of memory in use. ENERGY: 4417200 723.2055 2082.1380 1935.1250 98.4930 -206180.5706 17872.0861 0.0000 0.0000 34417.5101 -149052.0129 300.5767 -183469.5231 -148953.6039 298.7670 48.5330 78.3256 556908.8995 -14.4870 -14.4072 PRESSURE: 4417400 -155.81 89.0284 -78.1651 89.029 -22.5959 -28.6278 -78.1654 -28.6264 19.5401 GPRESSURE: 4417400 -98.7106 178.731 30.4098 145.782 0.84126 -117.057 -12.4957 -18.2276 40.6172 PRESSAVG: 4417400 49.3715 26.9482 8.95786 26.9482 -66.2617 -2.04807 8.95784 -2.04811 -24.4187 GPRESSAVG: 4417400 48.2492 29.064 9.58417 26.0511 -66.2439 -3.06998 11.7842 -3.43416 -23.5835 TIMING: 4417400 CPU: 13271.9, 0.00297303/step Wall: 13271.9, 0.00297303/step, 0.481136 hours remaining, 209.437500 MB of memory in use. ENERGY: 4417400 731.6214 2105.1403 1919.4771 122.3939 -205682.7371 17519.3086 0.0000 0.0000 34010.5172 -149274.2785 297.0223 -183284.7957 -149181.4624 299.0114 -52.9551 -19.0840 557616.0725 -13.7696 -13.8594 PRESSURE: 4417600 117.539 -28.4585 -158.625 -28.459 -59.422 -48.3534 -158.626 -48.3553 -176.878 GPRESSURE: 4417600 115.682 -5.79063 -80.4692 9.76398 -26.5465 -7.51837 -266.049 -91.5687 -108.568 PRESSAVG: 4417600 -1.70017 -38.6739 0.544328 -38.6739 -4.57337 -23.1703 0.54434 -23.1703 9.6343 GPRESSAVG: 4417600 -1.78528 -38.5367 1.17548 -39.2603 -5.33184 -23.0603 -2.56036 -22.8139 10.6613 TIMING: 4417600 CPU: 13272.5, 0.00298103/step Wall: 13272.5, 0.00298103/step, 0.482264 hours remaining, 209.437500 MB of memory in use. ENERGY: 4417600 717.3133 2019.8288 1907.2965 120.0789 -206165.0676 17850.3333 0.0000 0.0000 34313.8256 -149236.3911 299.6712 -183550.2167 -149134.8991 298.9473 -39.5868 -6.4775 557519.7803 1.1203 1.1814 PRESSURE: 4417800 3.57378 17.2623 -76.994 17.2613 -300.206 -66.2124 -76.9939 -66.2136 332.662 GPRESSURE: 4417800 69.9071 -116.889 -65.0756 117.027 -298.974 -43.7943 -40.2689 -81.4215 362.382 PRESSAVG: 4417800 19.4788 1.59416 -9.69887 1.59412 -56.6248 -20.8006 -9.6988 -20.8005 44.0343 GPRESSAVG: 4417800 20.3781 0.12714 -11.4504 3.25912 -56.2426 -19.7074 -8.94328 -21.8203 43 TIMING: 4417800 CPU: 13273.1, 0.00299027/step Wall: 13273.1, 0.00299027/step, 0.483593 hours remaining, 209.437500 MB of memory in use. ENERGY: 4417800 733.1869 2102.3344 1918.8908 115.2801 -206316.5968 17943.9925 0.0000 0.0000 34437.0388 -149065.8733 300.7472 -183502.9121 -148974.6305 298.9498 12.0101 44.4381 556604.2217 2.2961 2.3785 PRESSURE: 4418000 293.464 -35.6444 -50.5126 -35.6444 -122.248 67.1402 -50.5134 67.1409 -172.495 GPRESSURE: 4418000 233.466 -7.49963 -40.8253 39.8845 -20.2553 22.6318 0.224213 136.769 -124.037 PRESSAVG: 4418000 11.5809 -24.3376 11.7579 -24.3376 -40.2242 20.2166 11.758 20.2165 6.92983 GPRESSAVG: 4418000 9.93619 -23.7521 15.0283 -27.0742 -39.1346 20.8944 10.4126 23.0251 7.64976 TIMING: 4418000 CPU: 13273.7, 0.00298263/step Wall: 13273.7, 0.00298263/step, 0.482191 hours remaining, 209.437500 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: 4418000 752.0941 2131.2582 1919.5595 109.8228 -206382.0669 17814.2772 0.0000 0.0000 34345.5736 -149309.4816 299.9484 -183655.0552 -149211.8149 299.1750 -0.4261 29.7245 556419.9125 -7.2378 -7.1829 PRESSURE: 4418200 -67.3633 10.9238 65.9593 10.9235 177.653 273.751 65.9594 273.75 -94.8181 GPRESSURE: 4418200 -11.8372 24.3977 0.818424 37.1355 176.459 232.063 1.83671 212.447 -50.4767 PRESSAVG: 4418200 -50.4756 -31.7526 -12.7785 -31.7526 -5.5621 -37.9286 -12.7785 -37.9287 48.6867 GPRESSAVG: 4418200 -50.6769 -29.8417 -15.1669 -31.9765 -6.50856 -39.8808 -11.7571 -38.5908 49.8216 TIMING: 4418200 CPU: 13274.3, 0.00296966/step Wall: 13274.3, 0.00296966/step, 0.479931 hours remaining, 209.437500 MB of memory in use. ENERGY: 4418200 757.5279 2160.3039 1916.3036 124.3089 -206278.5243 17757.6057 0.0000 0.0000 34276.9287 -149285.5456 299.3489 -183562.4743 -149188.1871 299.4732 5.1573 38.0483 556363.3209 -2.4503 -2.4546 PRESSURE: 4418400 -46.9078 -178.373 30.0041 -178.375 268.5 -49.2473 30.0042 -49.2466 178.751 GPRESSURE: 4418400 -14.4182 -80.0486 23.4641 -225.424 257.665 -50.8446 -27.3287 -83.2575 253.006 PRESSAVG: 4418400 -35.6525 -60.6001 -0.697095 -60.6001 42.7225 -66.258 -0.697231 -66.2581 0.292083 GPRESSAVG: 4418400 -34.5433 -60.6478 -0.692777 -59.8184 42.4309 -65.8657 -1.35525 -67.6312 -1.00192 TIMING: 4418400 CPU: 13274.9, 0.00298182/step Wall: 13274.9, 0.00298182/step, 0.481729 hours remaining, 209.437500 MB of memory in use. ENERGY: 4418400 688.6461 2075.5746 1941.2014 110.1229 -206241.0245 17832.0923 0.0000 0.0000 34251.0413 -149342.3457 299.1229 -183593.3871 -149244.3075 300.0763 133.4476 165.4178 556416.0779 2.4540 2.2952 PRESSURE: 4418600 -182.505 57.4798 102.555 57.4793 -108.834 -58.7298 102.555 -58.7305 46.4167 GPRESSURE: 4418600 -114.843 -47.1192 119.885 88.9775 -100.182 -93.022 118.104 -61.8402 48.1329 PRESSAVG: 4418600 -37.2756 -57.299 -7.08467 -57.2991 40.1932 -8.92994 -7.0847 -8.92997 25.9118 GPRESSAVG: 4418600 -36.795 -57.8883 -4.91609 -57.892 39.92 -9.47844 -7.06995 -6.84382 25.8405 TIMING: 4418600 CPU: 13275.5, 0.00297346/step Wall: 13275.5, 0.00297346/step, 0.480214 hours remaining, 209.437500 MB of memory in use. ENERGY: 4418600 743.1333 2100.5783 1950.3184 113.7045 -206016.5347 17604.5245 0.0000 0.0000 34291.9703 -149212.3054 299.4803 -183504.2757 -149112.3158 299.7441 -81.6406 -55.6307 556638.8980 9.6098 9.6552 PRESSURE: 4418800 -68.7859 -57.853 57.4917 -57.8527 -271.64 9.89973 57.4921 9.90066 -191.169 GPRESSURE: 4418800 -50.5479 -69.0563 80.3577 -80.8919 -198.829 31.2158 124.836 -25.1596 -161.651 PRESSAVG: 4418800 -67.956 32.1557 39.0461 32.1557 -3.05487 -7.48393 39.0462 -7.48384 25.3814 GPRESSAVG: 4418800 -68.3333 30.1268 38.1903 33.9542 -2.15198 -5.45132 39.7352 -11.0055 25.8673 TIMING: 4418800 CPU: 13276.1, 0.00295106/step Wall: 13276.1, 0.00295106/step, 0.476432 hours remaining, 209.437500 MB of memory in use. ENERGY: 4418800 748.9618 2096.7619 1910.6282 113.8357 -205956.2464 17591.2451 0.0000 0.0000 34173.1864 -149321.6274 298.4429 -183494.8138 -149222.8463 299.4544 -177.1981 -137.0093 557436.4951 -15.2098 -14.8727 PRESSURE: 4419000 -103.389 0.676737 -11.9484 0.678379 -212.157 -47.1584 -11.9497 -47.1581 -16.7571 GPRESSURE: 4419000 -23.8416 88.3684 7.21452 -34.326 -191.272 8.9439 -45.0465 -89.1087 -25.7989 PRESSAVG: 4419000 73.2661 -6.15149 15.6981 -6.15152 -63.8386 -45.0827 15.6981 -45.0827 6.19413 GPRESSAVG: 4419000 74.5455 -3.09119 15.5499 -7.37372 -64.4794 -44.8034 14.621 -45.7853 5.73702 TIMING: 4419000 CPU: 13276.7, 0.00294562/step Wall: 13276.7, 0.00294562/step, 0.47539 hours remaining, 209.437500 MB of memory in use. ENERGY: 4419000 776.5165 2083.5093 1939.0311 122.6170 -206107.1299 17777.9657 0.0000 0.0000 34228.8387 -149178.6514 298.9290 -183407.4902 -149071.3348 299.1752 -110.7680 -80.3043 558407.9835 5.2072 5.2677 PRESSURE: 4419200 -19.7311 -63.8204 -18.933 -63.8223 -15.42 -5.95521 -18.9321 -5.95324 136.035 GPRESSURE: 4419200 40.4503 -146.496 -15.8907 1.50165 55.6015 53.4726 -146.764 -4.16362 104.374 PRESSAVG: 4419200 5.8758 56.8703 42.8272 56.8702 8.13758 0.264266 42.8272 0.264182 14.7036 GPRESSAVG: 4419200 6.38359 54.8158 41.8789 55.9866 8.3371 -1.23803 44.171 4.49062 14.5808 TIMING: 4419200 CPU: 13277.3, 0.00295026/step Wall: 13277.3, 0.00295026/step, 0.475976 hours remaining, 209.437500 MB of memory in use. ENERGY: 4419200 778.3450 2049.2533 1945.4302 117.9013 -206245.3896 18079.4812 0.0000 0.0000 34006.6448 -149268.3338 296.9885 -183274.9786 -149176.0227 299.1506 33.6280 66.8086 558206.7001 9.5723 9.7672 PRESSURE: 4419400 -120.11 -183.869 -24.9411 -183.87 -430.043 60.6089 -24.9389 60.6083 -187.618 GPRESSURE: 4419400 -112.112 -117.17 -104.671 -274.913 -384.222 76.2469 -89.9468 -4.31357 -139.487 PRESSAVG: 4419400 29.6475 67.5691 12.4266 67.569 15.0738 -46.9216 12.4267 -46.9216 14.9099 GPRESSAVG: 4419400 28.5536 69.405 12.5707 67.2825 15.974 -44.4529 12.4221 -50.0827 15.2229 TIMING: 4419400 CPU: 13277.9, 0.00298821/step Wall: 13277.9, 0.00298821/step, 0.481931 hours remaining, 209.437500 MB of memory in use. ENERGY: 4419400 786.2694 2044.2861 1939.8301 111.8547 -206089.1238 17555.0853 0.0000 0.0000 34203.8047 -149447.9936 298.7103 -183651.7983 -149358.9494 298.8640 -245.9235 -211.9401 558762.3586 19.8771 19.9168 PRESSURE: 4419600 5.83536 29.6686 -7.51712 29.6687 303.515 -79.7659 -7.51707 -79.7655 206.967 GPRESSURE: 4419600 42.3157 8.52037 -1.02218 -57.3825 284.319 -126.368 -2.11265 -82.9647 282.063 PRESSAVG: 4419600 9.17579 -12.7266 33.0417 -12.7267 26.4481 -31.0368 33.0417 -31.0369 -47.4188 GPRESSAVG: 4419600 9.37421 -12.7099 34.1477 -11.0486 26.1051 -32.3158 32.8569 -27.8235 -47.3395 TIMING: 4419600 CPU: 13278.5, 0.00298067/step Wall: 13278.5, 0.00298067/step, 0.48055 hours remaining, 209.437500 MB of memory in use. ENERGY: 4419600 698.9211 2109.0041 1917.4171 114.0548 -206311.2603 17897.3809 0.0000 0.0000 34057.4276 -149517.0548 297.4320 -183574.4824 -149416.5263 298.3954 172.1060 202.8994 557068.5680 -3.9316 -3.9534 PRESSURE: 4419800 -221.13 21.7234 -23.611 21.7239 171.49 162.471 -23.6108 162.471 -40.5992 GPRESSURE: 4419800 -177.145 29.3012 -58.3763 -25.1002 160.666 216.386 -16.989 174.475 24.8623 PRESSAVG: 4419800 5.84758 -6.23477 4.57436 -6.23482 27.1877 51.1193 4.57436 51.1193 -14.5113 GPRESSAVG: 4419800 5.38339 -7.53674 5.01726 -7.33107 27.2365 51.1803 5.27378 49.327 -13.9071 TIMING: 4419800 CPU: 13279.1, 0.00295243/step Wall: 13279.1, 0.00295243/step, 0.475834 hours remaining, 209.437500 MB of memory in use. ENERGY: 4419800 776.4066 2144.8756 1948.6595 111.2042 -206397.4146 17878.6952 0.0000 0.0000 34185.3224 -149352.2512 298.5489 -183537.5735 -149259.4088 298.2986 -30.0795 2.7946 556684.9761 6.1746 6.2376 PRESSURE: 4420000 95.4624 -29.8708 58.6253 -29.8696 338.141 119.626 58.625 119.626 30.4029 GPRESSURE: 4420000 154.242 -64.5848 111.092 -51.9996 324.79 98.1829 35.9966 59.6798 94.3411 PRESSAVG: 4420000 35.6741 25.5088 64.8831 25.5087 -14.9134 77.0349 64.883 77.035 -45.8001 GPRESSAVG: 4420000 36.3725 27.1741 63.2962 26.9811 -15.8797 75.8789 64.486 78.6104 -45.8664 TIMING: 4420000 CPU: 13279.7, 0.0029513/step Wall: 13279.7, 0.0029513/step, 0.475488 hours remaining, 209.437500 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: 4420000 749.2190 2101.8563 1937.6129 110.4000 -206512.0989 18082.9718 0.0000 0.0000 34181.1209 -149348.9180 298.5122 -183530.0389 -149250.6993 298.3590 154.6688 191.1243 556548.6888 -8.3465 -8.4579 PRESSURE: 4420200 -94.4161 169.384 147.477 169.384 -30.6164 29.5164 147.479 29.5165 46.1044 GPRESSURE: 4420200 -33.988 196.604 156.716 270.543 -24.5329 13.1953 188.6 78.785 81.1832 PRESSAVG: 4420200 33.6415 -43.272 8.33402 -43.2719 34.462 -15.0315 8.33405 -15.0316 -36.2761 GPRESSAVG: 4420200 34.8589 -42.4125 8.75287 -44.9161 34.7885 -14.625 11.0154 -16.2994 -37.9339 TIMING: 4420200 CPU: 13280.2, 0.00294405/step Wall: 13280.2, 0.00294405/step, 0.474155 hours remaining, 209.437500 MB of memory in use. ENERGY: 4420200 751.4061 2114.9761 1921.7369 106.0696 -206317.1438 17746.0671 0.0000 0.0000 34346.7226 -149330.1654 299.9585 -183676.8880 -149238.2202 298.9252 -26.3094 7.5541 557553.5226 10.6091 10.5711 LDB: ============= START OF LOAD BALANCING ============== 13283.8 LDB: ============== END OF LOAD BALANCING =============== 13283.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13283.8 LDB: ============= START OF LOAD BALANCING ============== 13284.1 LDB: Largest compute 4773 load 0.028935 is 24.5% of average load 0.118063 LDB: Average compute 0.001730 is 1.5% of average load 0.118063 LDB: TIME 13284.1 LOAD: AVG 0.118063 MAX 0.207728 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.008 MB LDB: TIME 13284.1 LOAD: AVG 0.118063 MAX 0.207729 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.078 MB LDB: TIME 13284.1 LOAD: AVG 0.118063 MAX 0.207729 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.078 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13284.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13284.1 PRESSURE: 4420400 -240.659 37.0371 -90.2433 37.0365 -67.3139 -16.4046 -90.2435 -16.4043 -196.252 GPRESSURE: 4420400 -211.364 67.2537 -78.7465 -67.1853 -21.0536 -64.8176 -45.228 -25.667 -173.542 PRESSAVG: 4420400 -5.24519 7.59263 25.3148 7.59262 4.47588 -24.4134 25.3148 -24.4134 8.48824 GPRESSAVG: 4420400 -6.26949 3.9355 25.6123 8.69875 4.5578 -24.7315 23.2798 -23.5034 8.60938 TIMING: 4420400 CPU: 13280.9, 0.00304887/step Wall: 13280.9, 0.00304887/step, 0.490868 hours remaining, 209.292969 MB of memory in use. ENERGY: 4420400 734.4426 2045.5370 1933.1745 112.3102 -205471.3229 17472.2543 0.0000 0.0000 34090.2790 -149083.3253 297.7189 -183173.6043 -148982.7747 299.0619 -168.0748 -135.3196 557386.4773 2.5730 2.2992 PRESSURE: 4420600 -174.346 6.2212 251.464 6.22 -389.963 -191.048 251.464 -191.048 -166.34 GPRESSURE: 4420600 -181.712 20.3383 232.769 -40.5388 -285.424 -143.179 212.563 -150.454 -155.353 PRESSAVG: 4420600 90.1953 -42.2175 55.1525 -42.2174 -45.2386 -5.66886 55.1525 -5.66883 11.0186 GPRESSAVG: 4420600 87.895 -40.8801 55.7518 -40.8974 -45.3008 -5.82725 54.721 -5.0388 13.5399 TIMING: 4420600 CPU: 13281.5, 0.0030044/step Wall: 13281.5, 0.0030044/step, 0.483541 hours remaining, 209.292969 MB of memory in use. ENERGY: 4420600 722.2386 2076.4120 1966.4377 129.2659 -205602.6145 17308.3266 0.0000 0.0000 34459.1082 -148940.8255 300.9400 -183399.9336 -148842.2957 299.7419 -243.5496 -207.4964 556714.8038 18.6585 18.7114 PRESSURE: 4420800 41.0546 123.016 73.8156 123.016 -198.665 -129.16 73.8155 -129.159 -367.217 GPRESSURE: 4420800 72.5174 134.514 60.9151 99.9542 -174.648 -143.824 139.907 -107.809 -313.091 PRESSAVG: 4420800 44.3628 -45.5783 -7.6273 -45.5783 25.0043 69.4747 -7.62721 69.4747 -9.43146 GPRESSAVG: 4420800 46.249 -46.1208 -8.06852 -46.8618 24.9929 71.2556 -6.77279 69.5261 -11.1311 TIMING: 4420800 CPU: 13282.1, 0.00298792/step Wall: 13282.1, 0.00298792/step, 0.480723 hours remaining, 209.292969 MB of memory in use. ENERGY: 4420800 750.0755 2031.2565 1929.0229 104.4397 -205865.6397 17539.2802 0.0000 0.0000 34332.7220 -149178.8430 299.8362 -183511.5650 -149080.2600 300.2502 -174.9424 -138.4071 557488.4842 19.9785 20.0369 PRESSURE: 4421000 60.4479 -59.7498 -91.1142 -59.7502 70.5403 -83.0505 -91.1132 -83.0498 18.5212 GPRESSURE: 4421000 88.007 -83.1786 -82.6647 -24.8404 52.4787 -198.847 -80.4391 -11.5378 105.148 PRESSAVG: 4421000 50.4574 -2.12938 -33.3839 -2.1294 -28.7782 26.5172 -33.3839 26.5172 13.1767 GPRESSAVG: 4421000 49.4715 -0.00326132 -33.0049 -2.5971 -27.7642 26.5977 -35.7736 23.9497 13.6408 TIMING: 4421000 CPU: 13282.7, 0.00301296/step Wall: 13282.7, 0.00301296/step, 0.484584 hours remaining, 209.292969 MB of memory in use. ENERGY: 4421000 740.9956 2038.6719 1937.1938 101.9599 -206452.4414 18074.7499 0.0000 0.0000 34226.4216 -149332.4485 298.9079 -183558.8701 -149240.2074 299.1617 49.8365 81.8777 555980.5335 11.6186 11.7827 PRESSURE: 4421200 -358.942 -120.169 109.62 -120.169 31.1264 56.9631 109.62 56.9647 378.948 GPRESSURE: 4421200 -340.33 -103.268 161.522 -155.534 71.4535 123.666 5.63869 51.4609 430.19 PRESSAVG: 4421200 -25.8117 33.1889 17.2737 33.1889 -19.9172 40.3486 17.2737 40.3485 77.9781 GPRESSAVG: 4421200 -24.2048 32.2581 17.0321 33.1226 -21.7815 41.0633 18.3825 41.5347 78.4238 TIMING: 4421200 CPU: 13283.3, 0.00301872/step Wall: 13283.3, 0.00301872/step, 0.485342 hours remaining, 209.292969 MB of memory in use. ENERGY: 4421200 726.7744 2072.1377 1913.4904 98.5775 -205952.1413 17700.8291 0.0000 0.0000 34269.9812 -149170.3510 299.2883 -183440.3322 -149081.4135 299.5039 17.0441 53.7712 557351.9746 10.7497 10.8125 PRESSURE: 4421400 -49.4256 24.9641 47.6821 24.9641 -50.5886 -69.7766 47.6814 -69.7773 -202.52 GPRESSURE: 4421400 -14.3534 -8.84487 30.4697 23.0059 -17.4192 -138.285 49.4816 -21.6837 -184.222 PRESSAVG: 4421400 45.0513 0.0372779 -45.113 0.0373881 -50.4329 -48.3627 -45.1129 -48.3627 33.3844 GPRESSAVG: 4421400 45.4307 -0.271588 -43.9389 0.31843 -50.0908 -49.1843 -44.3231 -49.999 32.7744 TIMING: 4421400 CPU: 13283.9, 0.00298293/step Wall: 13283.9, 0.00298293/step, 0.479423 hours remaining, 209.292969 MB of memory in use. ENERGY: 4421400 766.9615 2099.9058 1939.3703 109.7283 -205735.6033 17593.0554 0.0000 0.0000 34102.4602 -149124.1218 297.8253 -183226.5820 -149028.4419 298.9212 -100.8446 -71.9982 558249.2639 9.3343 9.3714 PRESSURE: 4421600 26.0639 -31.7859 -14.4057 -31.7855 142.09 -91.2313 -14.4065 -91.2311 184.784 GPRESSURE: 4421600 89.8296 -58.3999 -0.406 26.6907 151.888 -38.5831 37.6157 -110.06 204.941 PRESSAVG: 4421600 -4.39758 23.1654 -39.0736 23.1654 14.1794 10.0229 -39.0736 10.023 -2.19353 GPRESSAVG: 4421600 -5.27752 24.4526 -41.03 22.5251 14.8752 9.86681 -38.7893 11.9219 -2.54746 TIMING: 4421600 CPU: 13284.5, 0.00299992/step Wall: 13284.5, 0.00299992/step, 0.481988 hours remaining, 209.292969 MB of memory in use. ENERGY: 4421600 737.3083 2174.8088 1932.1610 119.9808 -206400.7968 17970.3841 0.0000 0.0000 34099.8399 -149366.3140 297.8024 -183466.1539 -149272.4317 298.5707 117.6461 148.8862 557854.4029 2.5294 2.3501 PRESSURE: 4421800 -26.4579 -12.2776 -37.4791 -12.2774 -44.4325 -22.0859 -37.4797 -22.0846 147.964 GPRESSURE: 4421800 -77.014 -50.1465 -74.2877 16.7161 56.8254 -74.486 -40.641 -82.1797 198.336 PRESSAVG: 4421800 45.2522 41.121 -70.6415 41.1211 -16.0486 9.75416 -70.6415 9.75411 -31.4224 GPRESSAVG: 4421800 45.3246 41.7234 -69.8528 41.0175 -16.2639 9.28271 -72.4804 9.23899 -31.2585 TIMING: 4421800 CPU: 13285.1, 0.00299292/step Wall: 13285.1, 0.00299292/step, 0.480696 hours remaining, 209.292969 MB of memory in use. ENERGY: 4421800 767.1821 2083.3831 1963.8402 112.4628 -206190.7343 17748.8632 0.0000 0.0000 34170.2776 -149344.7253 298.4175 -183515.0029 -149250.7553 299.0079 25.6912 59.3824 557688.6854 -0.7396 -0.7326 PRESSURE: 4422000 255.526 -88.6225 -120.981 -88.6224 80.3448 201.938 -120.982 201.938 278.195 GPRESSURE: 4422000 276.335 -74.1382 -129.792 -24.6158 85.5431 186.437 -190.918 251.371 344.951 PRESSAVG: 4422000 23.5016 -2.52522 19.4659 -2.5253 -1.06177 41.2638 19.4659 41.2638 22.4677 GPRESSAVG: 4422000 22.4325 -3.50392 19.4862 0.347302 -0.835279 41.6678 20.93 40.2538 23.6407 TIMING: 4422000 CPU: 13285.7, 0.00297927/step Wall: 13285.7, 0.00297927/step, 0.478339 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: 4422000 750.4055 2104.0909 1938.5556 116.1963 -206512.8829 18171.8924 0.0000 0.0000 34297.7634 -149133.9788 299.5309 -183431.7422 -149035.0783 299.2976 204.6885 235.6097 555803.4141 14.9692 15.0793 PRESSURE: 4422200 266.391 24.72 -96.8488 24.7216 112.12 10.6574 -96.8479 10.6575 103.914 GPRESSURE: 4422200 309.727 25.4247 -64.1252 49.8084 114.289 -6.20934 -74.7067 41.0029 168.722 PRESSAVG: 4422200 103.489 42.8142 -13.0607 42.8142 -41.337 -0.387467 -13.0607 -0.387532 -19.3122 GPRESSAVG: 4422200 103.925 41.1671 -14.1246 42.8629 -41.0446 -0.758035 -13.316 1.97433 -19.7007 TIMING: 4422200 CPU: 13286.2, 0.00298175/step Wall: 13286.2, 0.00298175/step, 0.478571 hours remaining, 209.292969 MB of memory in use. ENERGY: 4422200 771.4875 2053.1878 1945.5608 110.1323 -206329.9492 17947.3560 0.0000 0.0000 34473.3984 -149028.8263 301.0648 -183502.2247 -148933.1348 299.8778 160.8084 197.5795 555313.7826 14.2799 14.3933 PRESSURE: 4422400 -244.69 47.1694 87.395 47.1694 -85.7891 92.4178 87.3947 92.4172 -177.984 GPRESSURE: 4422400 -190.975 27.5945 137.809 129.058 -60.6527 99.1014 -41.7954 45.6294 -150.696 PRESSAVG: 4422400 11.7762 -30.406 24.8894 -30.406 -8.46139 37.8575 24.8894 37.8575 -18.9175 GPRESSAVG: 4422400 11.6585 -31.1873 25.0794 -30.2163 -9.01753 39.8999 25.6092 36.9303 -18.0865 TIMING: 4422400 CPU: 13286.8, 0.00300867/step Wall: 13286.8, 0.00300867/step, 0.482725 hours remaining, 209.292969 MB of memory in use. ENERGY: 4422400 763.6416 2067.1488 1952.3299 106.2852 -206089.1434 17619.9952 0.0000 0.0000 34426.7963 -149152.9464 300.6578 -183579.7427 -149058.8929 300.0343 -169.4876 -134.1077 557425.0137 -5.2009 -5.1485 PRESSURE: 4422600 -112.494 -9.40633 43.2767 -9.40726 -135.531 -169.412 43.2774 -169.412 -43.7809 GPRESSURE: 4422600 -66.977 -88.2977 84.4356 -46.5096 -111.883 -161.158 57.6323 -148.657 -0.141526 PRESSAVG: 4422600 -89.0772 11.7979 2.53261 11.798 26.7983 62.5115 2.53271 62.5116 39.558 GPRESSAVG: 4422600 -87.9727 14.3108 2.62734 10.59 28.4689 60.8318 3.2708 62.9118 37.3935 TIMING: 4422600 CPU: 13287.4, 0.00297265/step Wall: 13287.4, 0.00297265/step, 0.47678 hours remaining, 209.292969 MB of memory in use. ENERGY: 4422600 753.4507 2074.6798 1942.0720 119.0395 -205595.6088 17468.4952 0.0000 0.0000 34255.2288 -148982.6427 299.1594 -183237.8715 -148875.2025 300.2911 -97.2687 -59.6672 556464.7677 -7.5736 -7.3701 PRESSURE: 4422800 191.173 97.3878 -121.284 97.3867 102.674 -203.892 -121.284 -203.892 243.272 GPRESSURE: 4422800 267.672 109.938 -148.366 91.1543 92.558 -175.73 -42.3393 -195.976 270.818 PRESSAVG: 4422800 50.3866 -41.3117 0.198677 -41.3117 -34.3113 -12.7131 0.198689 -12.7131 -15.2791 GPRESSAVG: 4422800 49.2613 -40.1796 0.645778 -42.4845 -34.9067 -14.0809 -0.948644 -13.5491 -13.3538 TIMING: 4422800 CPU: 13288, 0.00296417/step Wall: 13288, 0.00296417/step, 0.475255 hours remaining, 209.292969 MB of memory in use. ENERGY: 4422800 721.2139 2090.9539 1931.5280 118.9138 -206385.0090 18079.0362 0.0000 0.0000 34365.0300 -149078.3332 300.1184 -183443.3632 -148982.8947 300.0147 179.0394 210.3494 555624.6379 0.2654 0.3336 PRESSURE: 4423000 -58.944 -101.119 247.899 -101.118 109.203 -42.872 247.9 -42.8702 110.378 GPRESSURE: 4423000 -42.4598 -141.86 184.716 -91.6079 129.051 63.0115 300.05 -155.044 178.361 PRESSAVG: 4423000 -35.4017 25.5927 7.23519 25.5928 22.7934 -78.5786 7.23519 -78.5787 -13.3627 GPRESSAVG: 4423000 -35.5234 23.9651 8.07401 27.2287 22.2407 -78.4373 8.46416 -78.0717 -12.4421 TIMING: 4423000 CPU: 13288.6, 0.00299114/step Wall: 13288.6, 0.00299114/step, 0.479413 hours remaining, 209.437500 MB of memory in use. ENERGY: 4423000 790.5006 2144.7234 1925.6494 115.8560 -206274.3892 17863.4270 0.0000 0.0000 34268.0050 -149166.2277 299.2710 -183434.2327 -149063.0867 300.6501 53.5459 88.3173 556533.7611 -8.6570 -8.5749 PRESSURE: 4423200 -327.415 -9.67986 -82.3215 -9.68001 -124.062 -117.467 -82.3208 -117.468 -60.1886 GPRESSURE: 4423200 -321.853 62.6157 -8.02263 19.0626 -60.0792 -140.599 -113.193 -35.7595 -31.0201 PRESSAVG: 4423200 -17.7248 4.44397 -18.1163 4.44392 62.4976 -63.2826 -18.1165 -63.2827 -49.1041 GPRESSAVG: 4423200 -17.4837 6.42987 -17.0635 2.46981 62.9561 -64.2592 -17.7491 -64.6225 -49.8295 TIMING: 4423200 CPU: 13289.2, 0.00294403/step Wall: 13289.2, 0.00294403/step, 0.471699 hours remaining, 209.437500 MB of memory in use. ENERGY: 4423200 820.1152 2114.1347 1927.0969 107.3191 -206005.9731 17665.8495 0.0000 0.0000 34203.1378 -149168.3199 298.7045 -183371.4577 -149074.1603 299.8086 -170.5552 -137.6507 556537.9425 -1.4438 -1.4524 PRESSURE: 4423400 -183.219 -167.471 -12.7516 -167.47 -141.026 -228.616 -12.7516 -228.614 88.8559 GPRESSURE: 4423400 -93.3653 -117.277 -50.3917 -77.2889 -136.209 -248.035 80.9321 -260.31 87.0896 PRESSAVG: 4423400 -55.2225 17.2834 9.61622 17.2834 -8.75484 -40.9195 9.61617 -40.9194 82.6558 GPRESSAVG: 4423400 -55.1517 15.8975 7.92943 19.5016 -8.14612 -37.9205 6.85521 -41.2571 81.9787 TIMING: 4423400 CPU: 13289.8, 0.00297096/step Wall: 13289.8, 0.00297096/step, 0.475849 hours remaining, 209.640625 MB of memory in use. ENERGY: 4423400 723.4355 2084.3571 1928.3603 110.0416 -205896.3725 17446.0282 0.0000 0.0000 34377.8858 -149226.2640 300.2306 -183604.1498 -149130.7108 299.0291 -78.4630 -47.4948 557078.6510 6.2261 6.2270 PRESSURE: 4423600 90.1824 -48.6903 -72.0661 -48.6892 -417.944 -84.2661 -72.0673 -84.2663 -13.3099 GPRESSURE: 4423600 156.755 -89.1889 -46.3527 23.0188 -412.543 -42.3045 -108.506 -146.5 1.02773 PRESSAVG: 4423600 -8.68434 -45.3739 11.8062 -45.3739 -20.8974 -56.0602 11.8062 -56.0602 -1.98829 GPRESSAVG: 4423600 -7.63267 -44.3745 11.5997 -45.8455 -21.7834 -57.5799 12.1261 -55.9959 -2.05936 TIMING: 4423600 CPU: 13290.4, 0.00298442/step Wall: 13290.4, 0.00298442/step, 0.477839 hours remaining, 209.640625 MB of memory in use. ENERGY: 4423600 766.0858 2074.6426 1929.3189 110.2897 -206848.0629 17939.7491 0.0000 0.0000 34600.0631 -149427.9136 302.1710 -184027.9768 -149331.5875 298.6016 -113.6905 -84.9201 557784.1918 -10.5233 -10.4918 PRESSURE: 4423800 198.309 -173.165 164.953 -173.166 43.9346 79.1506 164.953 79.1505 186.722 GPRESSURE: 4423800 206.5 -86.7077 80.4164 -145.93 83.2794 77.9047 109.649 113.851 238.133 PRESSAVG: 4423800 -47.2427 -70.5429 -35.99 -70.543 -9.78318 -29.1402 -35.99 -29.1401 43.0898 GPRESSAVG: 4423800 -48.3832 -70.8751 -35.7336 -72.0795 -8.51565 -27.5602 -35.1457 -28.6277 43.2619 TIMING: 4423800 CPU: 13291, 0.00297145/step Wall: 13291, 0.00297145/step, 0.475597 hours remaining, 209.640625 MB of memory in use. ENERGY: 4423800 758.1088 2134.0669 1939.9998 112.8735 -206878.2766 18131.2795 0.0000 0.0000 34128.5864 -149673.3616 298.0534 -183801.9480 -149584.3035 298.4659 142.9887 175.9708 556180.1743 -4.6454 -4.5457 PRESSURE: 4424000 -53.1277 -195.586 -146.142 -195.587 61.4715 -109.592 -146.142 -109.592 140.378 GPRESSURE: 4424000 34.1369 -192.241 -105.936 -178.124 72.7247 -29.7568 -208.865 -185.322 155.975 PRESSAVG: 4424000 12.3961 -47.1195 14.4262 -47.1195 2.47913 -54.3875 14.4262 -54.3874 -11.3368 GPRESSAVG: 4424000 12.8452 -47.6738 15.0111 -45.81 3.20454 -55.2794 13.9129 -51.6042 -11.9921 TIMING: 4424000 CPU: 13291.6, 0.00295495/step Wall: 13291.6, 0.00295495/step, 0.472793 hours remaining, 209.640625 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: 4424000 761.6086 2131.4919 1914.4121 113.7475 -206467.0609 18016.0040 0.0000 0.0000 34186.4806 -149343.3161 298.5590 -183529.7967 -149247.3727 298.0137 49.5738 87.6121 556948.6034 1.1795 1.3525 PRESSURE: 4424200 90.5731 -44.2405 19.425 -44.2405 -39.3072 -160.678 19.425 -160.679 148.491 GPRESSURE: 4424200 123.974 24.6943 -15.2723 -112.466 -0.687223 -171.225 46.4067 -142.395 170.907 PRESSAVG: 4424200 52.6751 -58.0458 52.6611 -58.0458 -8.7039 -68.6146 52.661 -68.6145 -30.8629 GPRESSAVG: 4424200 51.8628 -59.7196 51.9598 -59.6089 -8.42154 -67.5188 53.8422 -71.2063 -30.6755 TIMING: 4424200 CPU: 13292.2, 0.00298366/step Wall: 13292.2, 0.00298366/step, 0.47722 hours remaining, 209.640625 MB of memory in use. ENERGY: 4424200 767.2681 2071.2653 1946.5847 106.4224 -206379.6868 17911.7395 0.0000 0.0000 34097.2974 -149479.1094 297.7802 -183576.4068 -149389.6538 299.2198 66.5856 98.0645 557428.4216 4.3694 4.2552 LDB: ============= START OF LOAD BALANCING ============== 13295.7 LDB: ============== END OF LOAD BALANCING =============== 13295.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13295.7 LDB: ============= START OF LOAD BALANCING ============== 13296 LDB: Largest compute 4773 load 0.027204 is 23.0% of average load 0.118090 LDB: Average compute 0.001732 is 1.5% of average load 0.118090 LDB: TIME 13296 LOAD: AVG 0.11809 MAX 0.204675 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.305 MB LDB: TIME 13296 LOAD: AVG 0.11809 MAX 0.204675 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.305 MB LDB: TIME 13296 LOAD: AVG 0.11809 MAX 0.204675 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.305 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13296 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 PRESSURE: 4424400 131.96 -93.5611 -111.193 -93.5606 32.5402 -78.2575 -111.193 -78.2564 -23.612 GPRESSURE: 4424400 119.871 -61.395 -15.0228 -67.8912 67.5217 -127.45 -52.7622 -77.4974 67.8077 PRESSAVG: 4424400 48.0307 -44.9712 13.1517 -44.9712 -29.7155 10.9253 13.1517 10.9255 17.9089 GPRESSAVG: 4424400 47.9595 -44.7278 12.9894 -43.6448 -29.6514 7.96445 13.6928 11.3296 17.9506 TIMING: 4424400 CPU: 13292.8, 0.00302642/step Wall: 13292.8, 0.00302642/step, 0.483891 hours remaining, 208.976562 MB of memory in use. ENERGY: 4424400 757.1960 2070.3753 1923.6013 104.8961 -206809.8506 18108.2185 0.0000 0.0000 34377.8136 -149467.7499 300.2300 -183845.5634 -149369.2298 299.1333 46.9629 85.0669 557664.9740 12.0747 12.0862 PRESSURE: 4424600 -44.223 174.691 43.1198 174.69 -30.1499 140.052 43.1215 140.053 -162.873 GPRESSURE: 4424600 -39.5677 181.99 73.0379 170.661 14.0429 117.102 109.346 153.648 -104.606 PRESSAVG: 4424600 22.0033 -24.4399 -0.612763 -24.4399 34.0747 13.5387 -0.612762 13.5387 -34.7873 GPRESSAVG: 4424600 23.6005 -25.0186 0.267573 -24.0806 33.2186 15.6358 -1.89314 14.7626 -34.7777 TIMING: 4424600 CPU: 13293.4, 0.00295351/step Wall: 13293.4, 0.00295351/step, 0.472069 hours remaining, 209.179688 MB of memory in use. ENERGY: 4424600 732.1006 2063.5826 1963.2849 112.7045 -206062.4811 17875.1146 0.0000 0.0000 33935.5453 -149380.1487 296.3676 -183315.6940 -149283.6526 298.8340 -79.0821 -43.3768 559531.0345 7.0969 7.3471 PRESSURE: 4424800 -96.4877 -5.00997 -35.1242 -5.01034 177.269 -16.1056 -35.1247 -16.1073 105.641 GPRESSURE: 4424800 -42.5604 -25.1265 -25.5507 -21.1456 138.421 -44.3363 -56.9507 -38.5425 182.894 PRESSAVG: 4424800 31.8079 1.4907 41.9113 1.49063 10.6922 3.03304 41.9113 3.03315 -71.579 GPRESSAVG: 4424800 30.6655 1.32023 44.2016 2.49781 11.1328 4.25351 41.3413 1.26264 -70.8359 TIMING: 4424800 CPU: 13294, 0.00295956/step Wall: 13294, 0.00295956/step, 0.472873 hours remaining, 209.269531 MB of memory in use. ENERGY: 4424800 720.3172 2081.5598 1947.0675 117.1265 -206665.7233 18035.7284 0.0000 0.0000 34307.3449 -149456.5789 299.6146 -183763.9239 -149364.1013 299.0534 62.1409 92.9183 557640.1587 -9.6930 -9.6792 PRESSURE: 4425000 12.6855 -89.4101 -200.271 -89.4115 210.033 131.127 -200.271 131.126 -131.797 GPRESSURE: 4425000 52.9597 -80.4273 -108.045 -139.294 253.452 112.37 -148.675 125.406 -113.573 PRESSAVG: 4425000 36.3156 -16.3091 2.04342 -16.3091 -12.568 23.549 2.04339 23.5492 -89.292 GPRESSAVG: 4425000 38.1396 -15.2013 -0.241431 -17.0395 -13.0007 23.8888 3.97699 23.9469 -90.6123 TIMING: 4425000 CPU: 13294.6, 0.00293295/step Wall: 13294.6, 0.00293295/step, 0.468458 hours remaining, 209.269531 MB of memory in use. ENERGY: 4425000 758.7782 2091.9408 1924.6278 118.0373 -206422.6744 17929.2684 0.0000 0.0000 34265.1297 -149334.8921 299.2459 -183600.0218 -149240.2036 299.1965 30.3073 64.2797 557528.6553 -21.8481 -21.8244 PRESSURE: 4425200 -6.75877 65.5144 43.6005 65.5138 -28.4416 -159.781 43.6009 -159.782 -59.8998 GPRESSURE: 4425200 39.1711 11.2861 83.7394 112.069 -18.3328 -185.866 77.2485 -109.341 -22.4158 PRESSAVG: 4425200 5.86107 24.5822 -10.1539 24.5822 11.8159 40.0971 -10.1539 40.0971 -37.7311 GPRESSAVG: 4425200 5.12821 25.1861 -8.99606 23.2952 10.939 38.652 -11.0066 40.6631 -36.5124 TIMING: 4425200 CPU: 13295.2, 0.00294297/step Wall: 13295.2, 0.00294297/step, 0.469894 hours remaining, 209.269531 MB of memory in use. ENERGY: 4425200 724.6803 2087.7917 1946.9520 120.2270 -206032.8950 17636.3058 0.0000 0.0000 34253.0579 -149263.8804 299.1405 -183516.9382 -149167.7775 298.4773 -31.7001 -0.5258 557057.1880 -6.6847 -6.8151 PRESSURE: 4425400 -59.2221 91.808 -40.6892 91.8079 -224.114 -5.59353 -40.688 -5.59365 -8.0282 GPRESSURE: 4425400 -29.7128 106.026 39.7848 121.817 -197.968 44.4228 -112.997 -54.5899 37.3045 PRESSAVG: 4425400 114.931 -51.8236 18.9822 -51.8236 -74.5246 26.0185 18.9823 26.0185 -22.2878 GPRESSAVG: 4425400 113.884 -51.4157 19.658 -50.7481 -74.2035 26.3347 18.8823 25.3502 -22.1195 TIMING: 4425400 CPU: 13295.8, 0.00295523/step Wall: 13295.8, 0.00295523/step, 0.471687 hours remaining, 209.269531 MB of memory in use. ENERGY: 4425400 738.2561 2064.0487 1925.2149 110.5134 -205986.9523 17652.6357 0.0000 0.0000 34344.9804 -149151.3031 299.9433 -183496.2835 -149052.3088 299.2755 -97.1214 -63.4586 558403.6818 6.0397 5.8537 PRESSURE: 4425600 -47.2267 65.1338 -220.083 65.135 77.8517 135.088 -220.081 135.088 -23.0872 GPRESSURE: 4425600 59.1146 2.33145 -270.383 92.0104 61.2307 174.284 -195.11 145.815 12.2629 PRESSAVG: 4425600 -11.764 17.4074 -42.213 17.4075 -24.876 19.091 -42.213 19.091 46.8983 GPRESSAVG: 4425600 -10.7692 16.4151 -42.6888 17.348 -24.2734 18.3069 -40.3223 19.8439 45.4939 TIMING: 4425600 CPU: 13296.3, 0.00296257/step Wall: 13296.3, 0.00296257/step, 0.472695 hours remaining, 209.269531 MB of memory in use. ENERGY: 4425600 740.8797 2057.5760 1956.4540 114.5041 -206312.6448 17863.9955 0.0000 0.0000 34482.4261 -149096.8095 301.1436 -183579.2356 -148993.6113 300.3340 2.5126 44.2027 556565.0153 3.4195 3.4838 PRESSURE: 4425800 -184.433 -33.4058 -1.89453 -33.4051 19.4661 252.328 -1.89362 252.329 -82.3514 GPRESSURE: 4425800 -173.899 33.9044 1.04927 -42.7163 26.641 260.865 23.3995 215.244 -3.8545 PRESSAVG: 4425800 20.2461 59.7537 4.53004 59.7536 -79.6653 34.265 4.53011 34.2651 43.3391 GPRESSAVG: 4425800 19.9269 61.3327 5.24433 58.6312 -79.4188 35.0684 1.97607 34.0404 43.8195 TIMING: 4425800 CPU: 13296.9, 0.00297039/step Wall: 13296.9, 0.00297039/step, 0.473777 hours remaining, 209.269531 MB of memory in use. ENERGY: 4425800 757.5939 2065.1035 1917.4191 98.1533 -205947.8334 17674.1360 0.0000 0.0000 34373.4503 -149061.9774 300.1919 -183435.4276 -148971.5589 299.9230 -82.4394 -50.3710 558342.8882 -5.3600 -5.2241 PRESSURE: 4426000 -206.936 -16.2564 -29.2271 -16.256 -456.029 185.042 -29.2257 185.042 -155.037 GPRESSURE: 4426000 -188.435 13.6407 -110.472 28.7947 -394.521 169.196 -112.694 203.987 -151.58 PRESSAVG: 4426000 26.7628 27.5889 -58.2714 27.5889 25.5249 9.6008 -58.2713 9.60077 -28.2115 GPRESSAVG: 4426000 27.2703 25.4585 -58.8011 29.0226 25.2548 8.76959 -59.3162 11.1353 -28.8524 TIMING: 4426000 CPU: 13297.5, 0.00295911/step Wall: 13297.5, 0.00295911/step, 0.471813 hours remaining, 209.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4426000 737.1292 2077.4015 1916.3684 113.4435 -205738.0897 17553.3777 0.0000 0.0000 34343.2473 -148997.1221 299.9281 -183340.3695 -148901.1536 299.2868 -272.6671 -244.8453 559596.2991 8.0254 7.8909 PRESSURE: 4426200 35.1971 -27.567 -56.0468 -27.5662 316.212 -128.509 -56.047 -128.51 129.476 GPRESSURE: 4426200 26.8475 61.5096 -61.2434 -64.7275 378.028 -173.503 -54.9692 -90.6763 166.459 PRESSAVG: 4426200 -21.6569 29.9689 0.237001 29.9689 20.6353 47.2628 0.237016 47.2628 11.0513 GPRESSAVG: 4426200 -22.5911 34.0295 -1.13397 27.508 21.8737 46.9886 1.66337 46.5093 11.3865 TIMING: 4426200 CPU: 13298.1, 0.00298048/step Wall: 13298.1, 0.00298048/step, 0.475055 hours remaining, 209.269531 MB of memory in use. ENERGY: 4426200 738.8750 2025.6339 1939.8537 111.9962 -206183.0999 18071.3303 0.0000 0.0000 34356.6526 -148938.7582 300.0452 -183295.4108 -148836.0407 299.8055 160.2948 190.4450 558850.8143 3.3432 3.5564 PRESSURE: 4426400 -113.18 29.1522 49.4714 29.1525 49.9898 109.795 49.4703 109.796 -44.9651 GPRESSURE: 4426400 -136.514 36.1828 117.69 43.1558 60.6612 89.0598 9.79096 84.2611 58.4486 PRESSAVG: 4426400 52.7347 5.5495 -49.7385 5.54945 -30.0425 3.67783 -49.7384 3.67775 -10.3641 GPRESSAVG: 4426400 52.3093 1.44273 -50.0629 9.50052 -30.8903 3.62701 -49.3113 3.48059 -9.1388 TIMING: 4426400 CPU: 13298.7, 0.00294401/step Wall: 13298.7, 0.00294401/step, 0.469078 hours remaining, 209.269531 MB of memory in use. ENERGY: 4426400 721.6781 2165.6264 1947.9533 116.1197 -206175.8495 17859.0107 0.0000 0.0000 34401.4316 -148964.0297 300.4363 -183365.4613 -148873.7568 300.0419 -36.0517 -5.8012 559270.0871 4.1094 4.0934 PRESSURE: 4426600 176.333 -1.87892 -95.2284 -1.87822 -58.6508 177.926 -95.2292 177.927 -88.7058 GPRESSURE: 4426600 206.495 26.2486 -66.1368 -110.453 35.1191 174.667 -56.6944 127.279 -118.546 PRESSAVG: 4426600 5.91639 -14.2547 -2.08056 -14.2547 17.2819 24.2917 -2.08059 24.2916 0.0136444 GPRESSAVG: 4426600 7.06134 -12.9861 -1.03861 -17.1466 17.1876 22.9508 -2.35144 25.6947 -1.24366 TIMING: 4426600 CPU: 13299.3, 0.00293192/step Wall: 13299.3, 0.00293192/step, 0.46699 hours remaining, 209.269531 MB of memory in use. ENERGY: 4426600 754.4387 2048.0312 1942.7346 106.0962 -206119.9022 18091.9686 0.0000 0.0000 34291.1729 -148885.4599 299.4733 -183176.6328 -148793.8257 300.0905 9.6588 41.0225 557899.2592 7.7373 7.6684 PRESSURE: 4426800 27.487 8.11003 133.491 8.10819 -43.9652 -229.958 133.492 -229.954 -160.263 GPRESSURE: 4426800 26.9896 -99.9458 131.345 80.6671 -0.173527 -209.749 152.143 -249.595 -107.446 PRESSAVG: 4426800 30.5973 -25.5924 41.7839 -25.5924 -36.9296 2.59787 41.7838 2.59799 33.8698 GPRESSAVG: 4426800 30.0452 -24.6956 42.8946 -25.578 -37.2592 4.11905 40.4806 1.10484 34.5329 TIMING: 4426800 CPU: 13299.9, 0.00296149/step Wall: 13299.9, 0.00296149/step, 0.471536 hours remaining, 209.269531 MB of memory in use. ENERGY: 4426800 748.1260 2038.8176 1935.1030 109.8198 -206011.9676 17793.1203 0.0000 0.0000 34368.9106 -149018.0703 300.1522 -183386.9809 -148922.0016 300.0476 -58.9138 -26.8767 557972.5025 9.1792 9.1063 PRESSURE: 4427000 -196.702 -187.39 -305.01 -187.391 -201.797 46.069 -305.01 46.0684 -67.7254 GPRESSURE: 4427000 -147.087 -158.822 -350.327 -196.416 -142.155 41.1788 -341.392 10.4711 -79.3064 PRESSAVG: 4427000 -52.4671 -20.365 8.73798 -20.365 -18.9482 18.73 8.73805 18.7299 24.583 GPRESSAVG: 4427000 -52.9001 -20.8224 8.17769 -19.3009 -18.4339 15.8633 7.81994 19.5259 24.2964 TIMING: 4427000 CPU: 13300.5, 0.00298182/step Wall: 13300.5, 0.00298182/step, 0.474606 hours remaining, 209.269531 MB of memory in use. ENERGY: 4427000 763.4104 2012.7470 1929.0298 97.3418 -205786.7902 17677.4888 0.0000 0.0000 34297.2465 -149009.5260 299.5264 -183306.7725 -148916.1254 300.0018 -155.4081 -122.8492 558785.2955 -15.6108 -15.6792 PRESSURE: 4427200 -168.023 192.505 8.32901 192.505 -181.895 47.6251 8.32832 47.6246 -79.2925 GPRESSURE: 4427200 -131.153 198.148 86.0331 60.9349 -196.869 48.2986 -10.1721 6.03686 -10.9355 PRESSAVG: 4427200 -2.73142 -23.9235 -45.6355 -23.9235 3.46604 -7.83552 -45.6355 -7.83545 52.6635 GPRESSAVG: 4427200 -2.26982 -24.2655 -47.2527 -25.6676 3.32067 -5.83225 -43.7302 -9.04848 52.7911 TIMING: 4427200 CPU: 13301.1, 0.00296347/step Wall: 13301.1, 0.00296347/step, 0.471521 hours remaining, 209.269531 MB of memory in use. ENERGY: 4427200 755.9551 2090.3262 1940.5692 117.4347 -205990.5577 17706.0838 0.0000 0.0000 34151.4102 -149228.7785 298.2528 -183380.1887 -149137.8294 299.7203 -143.0700 -112.9859 558620.5723 17.7994 17.9473 PRESSURE: 4427400 244.067 10.0996 8.27836 10.0998 317.467 -142.385 8.27797 -142.385 -98.8576 GPRESSURE: 4427400 298.909 -27.8931 56.0014 38.4432 332.415 -136.522 -108.5 -199.574 -64.5144 PRESSAVG: 4427400 15.7701 -4.57919 42.0837 -4.57918 13.5291 -11.4147 42.0837 -11.4147 -0.193215 GPRESSAVG: 4427400 15.3868 -3.72472 44.6658 -4.43222 13.4935 -11.5449 39.7651 -11.5091 0.127714 TIMING: 4427400 CPU: 13301.7, 0.00295108/step Wall: 13301.7, 0.00295108/step, 0.469386 hours remaining, 209.269531 MB of memory in use. ENERGY: 4427400 712.1583 2056.7493 1939.9726 104.1731 -206446.7586 18128.0443 0.0000 0.0000 34333.7942 -149171.8668 299.8456 -183505.6610 -149078.6001 299.5925 154.2256 188.9363 558661.3879 9.7020 9.6693 PRESSURE: 4427600 79.9581 150.474 5.93181 150.474 49.6349 4.13811 5.93192 4.13847 45.6559 GPRESSURE: 4427600 151.129 163.11 -42.2843 159.36 32.3823 61.5694 8.29767 0.781938 81.2998 PRESSAVG: 4427600 33.3315 61.8339 -10.1366 61.834 -19.3503 -17.9712 -10.1366 -17.9712 7.53216 GPRESSAVG: 4427600 32.458 61.1904 -12.9131 62.9965 -18.6338 -18.6266 -8.31079 -18.8685 8.07858 TIMING: 4427600 CPU: 13302.3, 0.00294207/step Wall: 13302.3, 0.00294207/step, 0.46779 hours remaining, 209.269531 MB of memory in use. ENERGY: 4427600 709.5213 2060.5573 1928.0224 111.1667 -206285.4978 17892.0300 0.0000 0.0000 34308.6321 -149275.5680 299.6258 -183584.2001 -149178.4916 299.7002 58.4163 88.2705 558655.3143 7.1711 7.3009 PRESSURE: 4427800 -19.2754 71.506 83.7574 71.507 -138.504 -107.308 83.7577 -107.308 -153.516 GPRESSURE: 4427800 21.8752 89.9817 39.807 94.7262 -157.907 -93.8967 167.036 -36.7482 -78.0013 PRESSAVG: 4427800 35.4027 3.0773 -11.9222 3.07731 38.0304 17.6475 -11.9222 17.6474 -80.2411 GPRESSAVG: 4427800 36.687 1.92509 -11.06 2.9851 38.3997 17.7791 -11.3059 20.1327 -82.1962 TIMING: 4427800 CPU: 13302.9, 0.00296272/step Wall: 13302.9, 0.00296272/step, 0.470908 hours remaining, 209.269531 MB of memory in use. ENERGY: 4427800 730.2998 2084.2782 1948.4481 101.6538 -205943.2577 17644.5665 0.0000 0.0000 34109.4168 -149324.5945 297.8860 -183434.0113 -149225.2264 298.5963 -103.7651 -71.3444 558662.9431 -2.2693 -2.3699 PRESSURE: 4428000 -75.7635 49.5116 -76.881 49.5112 143.479 -37.6109 -76.8813 -37.6109 -43.6682 GPRESSURE: 4428000 -65.4166 83.4994 -4.12513 19.1453 214.258 92.4587 -92.2317 -42.4504 -26.7247 PRESSAVG: 4428000 -84.4497 -26.5942 -62.0588 -26.5942 41.8711 -0.974256 -62.0588 -0.974301 -9.4822 GPRESSAVG: 4428000 -84.5914 -24.4692 -60.1507 -25.6779 40.8732 0.586974 -64.1672 -2.32892 -8.25618 TIMING: 4428000 CPU: 13303.5, 0.00299152/step Wall: 13303.5, 0.00299152/step, 0.47532 hours remaining, 209.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4428000 738.8509 2111.1493 1933.1441 109.8187 -206193.7614 17827.0319 0.0000 0.0000 34206.5823 -149267.1842 298.7346 -183473.7665 -149171.6673 298.6525 8.0158 40.7057 559275.3669 -17.3536 -17.3248 PRESSURE: 4428200 -53.7169 -165.622 102.279 -165.622 95.7059 104.552 102.278 104.552 -12.338 GPRESSURE: 4428200 -69.3461 -136.397 33.3067 -155.584 159.104 99.1824 90.009 111.147 36.2774 PRESSAVG: 4428200 3.61594 -26.4077 -55.279 -26.4076 48.047 -26.577 -55.279 -26.577 8.27864 GPRESSAVG: 4428200 2.68611 -26.0202 -55.6691 -26.6759 48.6729 -25.9534 -53.6742 -27.611 8.82978 TIMING: 4428200 CPU: 13304.1, 0.00300323/step Wall: 13304.1, 0.00300323/step, 0.477013 hours remaining, 209.269531 MB of memory in use. ENERGY: 4428200 803.7545 2079.0369 1892.3388 113.5151 -206611.5867 17959.6415 0.0000 0.0000 34278.1205 -149485.1795 299.3594 -183763.2999 -149399.9034 299.3028 9.8837 42.0119 557887.7580 19.9805 20.0629 LDB: ============= START OF LOAD BALANCING ============== 13307.6 LDB: ============== END OF LOAD BALANCING =============== 13307.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13307.6 LDB: ============= START OF LOAD BALANCING ============== 13307.9 LDB: Largest compute 4773 load 0.027389 is 23.2% of average load 0.118097 LDB: Average compute 0.001732 is 1.5% of average load 0.118097 LDB: TIME 13307.9 LOAD: AVG 0.118097 MAX 0.206104 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.945 MB LDB: TIME 13307.9 LOAD: AVG 0.118097 MAX 0.206104 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.953 MB LDB: TIME 13307.9 LOAD: AVG 0.118097 MAX 0.206104 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.953 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13307.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13307.9 PRESSURE: 4428400 -49.7099 77.9029 -109.589 77.9034 -45.9534 133.473 -109.589 133.473 37.5521 GPRESSURE: 4428400 30.1129 58.8689 -65.2993 194.425 -26.1163 169.835 -125.802 51.5172 34.0483 PRESSAVG: 4428400 2.52784 -26.9779 -37.1008 -26.9778 -15.2344 69.7815 -37.1006 69.7815 -11.2944 GPRESSAVG: 4428400 3.32857 -27.8663 -39.5679 -27.441 -14.0185 67.6791 -35.8261 70.4948 -13.7248 TIMING: 4428400 CPU: 13304.7, 0.00303448/step Wall: 13304.7, 0.00303448/step, 0.481808 hours remaining, 210.515625 MB of memory in use. ENERGY: 4428400 725.3293 2059.6101 1932.9024 127.6147 -206204.3876 17852.7546 0.0000 0.0000 34122.4881 -149383.6885 298.0002 -183506.1765 -149288.8426 298.7758 -19.3704 12.6816 558324.3099 -8.0003 -8.1382 PRESSURE: 4428600 102.508 31.8712 -57.2044 31.8722 108.201 7.52612 -57.204 7.52406 -124.441 GPRESSURE: 4428600 96.331 26.7899 -8.97587 89.3009 188.001 70.3684 -131.626 -94.3015 -91.6977 PRESSAVG: 4428600 37.588 -13.3593 -68.6346 -13.3593 -3.88664 12.2629 -68.6346 12.263 -17.5503 GPRESSAVG: 4428600 36.8111 -12.5365 -67.5994 -12.2557 -6.17359 13.9445 -69.6795 12.9384 -14.2839 TIMING: 4428600 CPU: 13305.3, 0.00297108/step Wall: 13305.3, 0.00297108/step, 0.471577 hours remaining, 210.718750 MB of memory in use. ENERGY: 4428600 725.3617 2107.5583 1930.5037 114.7800 -206539.7720 18021.3595 0.0000 0.0000 34309.0886 -149331.1203 299.6298 -183640.2089 -149236.0220 299.2159 28.7558 64.2116 558239.3474 5.3837 5.4512 PRESSURE: 4428800 -16.9934 45.1368 63.9219 45.1371 202.578 -57.9197 63.9197 -57.9201 74.4161 GPRESSURE: 4428800 20.2961 41.5667 -18.5024 98.118 204.26 -46.8419 116.561 -29.5848 147.298 PRESSAVG: 4428800 -33.7279 19.033 55.4368 19.033 40.7829 -3.61016 55.4368 -3.61018 -35.9254 GPRESSAVG: 4428800 -34.3142 17.523 55.3064 18.9475 41.5871 -3.77697 57.0919 -4.67778 -35.806 TIMING: 4428800 CPU: 13305.8, 0.00296421/step Wall: 13305.8, 0.00296422/step, 0.470322 hours remaining, 210.718750 MB of memory in use. ENERGY: 4428800 747.1580 2072.4659 1922.0024 104.8987 -206352.3744 17973.6120 0.0000 0.0000 34163.9867 -149368.2507 298.3626 -183532.2374 -149268.0218 298.8505 86.6668 123.9514 558740.3455 -9.6235 -9.5110 PRESSURE: 4429000 -129.906 29.6315 74.1615 29.6315 290.363 -21.4368 74.1616 -21.4377 -119.61 GPRESSURE: 4429000 -139.425 33.9767 36.7801 86.883 325.917 -57.3614 46.3575 42.6513 -56.9324 PRESSAVG: 4429000 -40.6606 10.7824 23.7637 10.7824 25.546 -27.7111 23.7637 -27.7111 9.86067 GPRESSAVG: 4429000 -40.0911 9.36794 23.875 10.5603 25.6234 -26.828 22.2446 -28.9901 8.98145 TIMING: 4429000 CPU: 13306.4, 0.00296881/step Wall: 13306.4, 0.00296881/step, 0.470886 hours remaining, 210.718750 MB of memory in use. ENERGY: 4429000 723.1194 2094.9747 1931.0035 117.8081 -206622.8381 17896.7129 0.0000 0.0000 34226.9237 -149632.2958 298.9122 -183859.2195 -149534.4640 298.4039 13.6160 43.1865 558446.5827 -1.7513 -1.8287 PRESSURE: 4429200 161.904 -78.7933 -249.245 -78.7934 169.556 25.9224 -249.245 25.9223 -62.5006 GPRESSURE: 4429200 200.62 -55.3567 -241.926 -49.7586 193.435 76.3517 -146.017 28.438 -25.6597 PRESSAVG: 4429200 -83.6288 18.9621 28.5605 18.9622 50.8919 53.2774 28.5605 53.2774 -5.83893 GPRESSAVG: 4429200 -83.2248 22.7958 28.7284 18.2957 50.9016 53.5275 29.3277 54.8848 -5.74608 TIMING: 4429200 CPU: 13307, 0.00297196/step Wall: 13307, 0.00297196/step, 0.47122 hours remaining, 210.789062 MB of memory in use. ENERGY: 4429200 761.2460 2068.5358 1915.1740 124.6830 -206721.0350 18080.8517 0.0000 0.0000 34073.4211 -149697.1234 297.5717 -183770.5445 -149596.5557 297.9019 89.6530 122.7982 556918.5546 -12.8586 -12.6898 PRESSURE: 4429400 -148.999 4.88044 -209.687 4.87984 -75.3349 99.9824 -209.687 99.9833 -430.703 GPRESSURE: 4429400 -97.9147 -15.1634 -184.555 23.195 -45.4909 110.773 -164.717 55.6484 -412.586 PRESSAVG: 4429400 24.7621 1.72786 -22.9479 1.72789 11.1551 33.8727 -22.9479 33.8728 -9.58937 GPRESSAVG: 4429400 23.9337 1.0977 -24.2765 0.933697 11.036 34.2563 -21.7945 32.9146 -8.89027 TIMING: 4429400 CPU: 13307.6, 0.002959/step Wall: 13307.6, 0.002959/step, 0.469002 hours remaining, 210.789062 MB of memory in use. ENERGY: 4429400 758.6905 2076.0661 1925.1486 124.6394 -206325.9180 17738.9053 0.0000 0.0000 34164.2493 -149538.2189 298.3649 -183702.4682 -149447.2480 298.0219 -218.3455 -185.3307 557253.8182 8.7759 8.6931 PRESSURE: 4429600 -78.2566 20.8112 -115.422 20.8121 31.7005 -95.6023 -115.422 -95.6012 -117.177 GPRESSURE: 4429600 -55.2357 50.9348 -120.76 41.2392 84.6412 -46.0125 -42.9791 -109.457 -88.3828 PRESSAVG: 4429600 -14.5224 5.50877 50.0985 5.50873 -4.41633 1.59873 50.0984 1.59881 6.03858 GPRESSAVG: 4429600 -14.269 6.18144 51.4243 4.47765 -3.89043 -0.109804 47.0041 3.05024 5.27875 TIMING: 4429600 CPU: 13308.2, 0.00296546/step Wall: 13308.2, 0.00296546/step, 0.46986 hours remaining, 210.789062 MB of memory in use. ENERGY: 4429600 751.3858 2059.7423 1934.6293 104.3027 -206385.4289 17815.0534 0.0000 0.0000 34024.3706 -149695.9447 297.1433 -183720.3153 -149608.8238 298.2134 -54.5777 -19.6591 557896.5289 -4.3000 -4.2936 PRESSURE: 4429800 147.043 120.836 84.0445 120.837 65.6056 -120.189 84.0435 -120.19 31.1984 GPRESSURE: 4429800 180.815 174.065 13.5036 164.701 71.9018 -102.328 88.4996 -66.8208 89.3181 PRESSAVG: 4429800 21.2288 37.3064 -9.82745 37.3064 -1.1132 4.97121 -9.82751 4.97113 17.3674 GPRESSAVG: 4429800 22.7783 34.0019 -9.62963 39.7912 -1.49483 5.60079 -8.96895 5.62288 16.1405 TIMING: 4429800 CPU: 13308.8, 0.0029665/step Wall: 13308.8, 0.0029665/step, 0.469861 hours remaining, 210.789062 MB of memory in use. ENERGY: 4429800 716.9062 2105.7033 1922.0628 116.2731 -206519.4346 17790.3418 0.0000 0.0000 34197.6651 -149670.4823 298.6567 -183868.1474 -149573.6343 297.8326 81.2824 114.0118 556580.1000 12.4944 12.4747 PRESSURE: 4430000 303.469 -70.61 64.9499 -70.6104 -221.298 92.7174 64.9505 92.7163 -73.867 GPRESSURE: 4430000 336.184 -93.0253 85.0259 -111.801 -182.594 74.3477 33.3539 22.0414 -50.0616 PRESSAVG: 4430000 1.71065 16.6226 -37.0296 16.6226 0.166362 -7.71802 -37.0295 -7.71817 -3.42975 GPRESSAVG: 4430000 0.394263 19.7555 -38.6606 13.2757 0.592074 -7.82807 -34.7926 -8.69529 -3.05808 TIMING: 4430000 CPU: 13309.4, 0.00297434/step Wall: 13309.4, 0.00297434/step, 0.470938 hours remaining, 210.789062 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: 4430000 703.3169 2085.7065 1927.3493 122.4240 -206554.8046 17905.7713 0.0000 0.0000 34188.8811 -149621.3554 298.5800 -183810.2366 -149531.1138 298.2348 2.7678 34.5094 556761.3431 -0.5176 -0.6906 PRESSURE: 4430200 95.5555 -45.8207 -5.16459 -45.8216 -285.537 -45.4156 -5.1636 -45.4149 25.5999 GPRESSURE: 4430200 119.933 -57.1112 -17.6702 -115.264 -216.973 27.4068 -3.70276 -48.9231 27.9606 PRESSAVG: 4430200 40.5935 -12.4873 21.7309 -12.4872 -12.9944 -26.8311 21.7309 -26.8311 -57.5455 GPRESSAVG: 4430200 40.5772 -15.4433 21.7133 -8.4087 -13.2029 -26.2187 21.191 -27.8234 -57.3788 TIMING: 4430200 CPU: 13310, 0.00297295/step Wall: 13310, 0.00297295/step, 0.470551 hours remaining, 210.789062 MB of memory in use. ENERGY: 4430200 739.9855 2145.4455 1947.2603 118.2263 -206362.2513 17739.3732 0.0000 0.0000 34035.0042 -149636.9564 297.2362 -183671.9606 -149543.1255 298.4063 -54.7938 -23.0266 556175.8909 -9.9821 -10.0015 PRESSURE: 4430400 -369.071 27.6921 51.7163 27.6913 -65.8438 -68.3131 51.716 -68.3128 -122.333 GPRESSURE: 4430400 -367.527 10.8025 12.9117 32.7921 9.74847 20.3892 18.0246 -140.402 -98.2739 PRESSAVG: 4430400 -58.8141 -13.7569 12.3864 -13.7569 40.0998 -1.83773 12.3863 -1.83784 6.87141 GPRESSAVG: 4430400 -59.6196 -12.3583 10.9991 -15.0594 41.0373 -1.37658 11.5253 -0.686928 6.84057 TIMING: 4430400 CPU: 13310.6, 0.00298377/step Wall: 13310.6, 0.00298377/step, 0.472099 hours remaining, 210.789062 MB of memory in use. ENERGY: 4430400 774.5697 2056.2491 1906.2758 111.3680 -206093.9090 17694.9463 0.0000 0.0000 33872.8278 -149677.6722 295.8198 -183550.5000 -149580.6558 298.1277 -185.7492 -152.0176 558040.6916 -3.9476 -3.9139 PRESSURE: 4430600 -289.115 162.007 -229.695 162.008 -248.469 7.45349 -229.696 7.45368 -79.9721 GPRESSURE: 4430600 -230.907 196.482 -83.1852 135.713 -188.551 -7.00552 -212.538 -18.4468 -105.45 PRESSAVG: 4430600 -3.66675 -19.3849 -8.99027 -19.385 26.1973 -37.7517 -8.9902 -37.7517 -24.5642 GPRESSAVG: 4430600 -2.13472 -19.6507 -7.62674 -20.4185 24.3809 -38.9674 -7.36613 -37.4629 -24.3113 TIMING: 4430600 CPU: 13311.2, 0.00297711/step Wall: 13311.2, 0.00297711/step, 0.470879 hours remaining, 210.789062 MB of memory in use. ENERGY: 4430600 779.6068 2115.5266 1921.8242 104.6036 -206749.0836 17936.5271 0.0000 0.0000 34046.5640 -149844.4312 297.3371 -183890.9953 -149745.1397 297.1796 -205.8521 -174.9694 557915.3326 -0.6779 -0.6884 PRESSURE: 4430800 -186.295 114.334 -15.7568 114.332 -161.846 87.5198 -15.7567 87.5195 100.656 GPRESSURE: 4430800 -159.478 11.8739 4.92715 80.506 -122.34 116.793 17.0389 100.177 134.322 PRESSAVG: 4430800 -36.4788 -20.1912 -20.5564 -20.1912 -0.985733 2.15989 -20.5563 2.15995 15.9646 GPRESSAVG: 4430800 -37.0552 -20.2169 -19.4624 -19.2919 -0.501959 3.46547 -23.1044 2.14037 16.3112 TIMING: 4430800 CPU: 13311.8, 0.00294493/step Wall: 13311.8, 0.00294493/step, 0.465626 hours remaining, 210.789062 MB of memory in use. ENERGY: 4430800 745.5455 2088.6243 1922.2589 110.9660 -206608.5243 17818.3590 0.0000 0.0000 34020.3525 -149902.4181 297.1082 -183922.7706 -149802.3415 297.5988 -82.4948 -49.1655 556181.9428 -7.1666 -7.0820 PRESSURE: 4431000 123.699 -89.2131 -164.008 -89.2126 -57.715 49.4441 -164.007 49.4427 255.279 GPRESSURE: 4431000 208.88 -41.7626 -133.329 -105.963 -34.98 89.5117 -117.55 11.5712 252.04 PRESSAVG: 4431000 -96.3572 37.0443 -43.9764 37.0443 70.7939 -38.6679 -43.9763 -38.6679 28.7329 GPRESSAVG: 4431000 -96.4804 36.7621 -45.5048 38.8567 70.8897 -36.9142 -41.2281 -40.556 28.7467 TIMING: 4431000 CPU: 13312.4, 0.00294039/step Wall: 13312.4, 0.00294039/step, 0.464745 hours remaining, 210.789062 MB of memory in use. ENERGY: 4431000 764.4685 2159.9663 1974.6404 118.3926 -206668.0825 17953.8060 0.0000 0.0000 33972.6010 -149724.2078 296.6912 -183696.8088 -149636.3486 297.8908 107.0876 141.9800 556370.5768 1.0566 1.0520 PRESSURE: 4431200 -94.2809 9.26991 100.986 9.2712 54.1342 46.3161 100.986 46.3159 174.504 GPRESSURE: 4431200 -47.9632 -13.2709 42.7612 49.0654 105.079 -61.0185 168.621 72.3362 168.515 PRESSAVG: 4431200 -13.6367 -11.4058 -57.7546 -11.4058 24.9049 -75.2819 -57.7545 -75.2819 -5.26263 GPRESSAVG: 4431200 -12.0476 -11.4904 -56.9376 -12.4297 24.0221 -77.7758 -57.8635 -75.2198 -5.93705 TIMING: 4431200 CPU: 13313, 0.00297061/step Wall: 13313, 0.00297061/step, 0.469357 hours remaining, 210.789062 MB of memory in use. ENERGY: 4431200 742.9148 2065.5798 1946.6429 118.5881 -206517.1917 17956.3830 0.0000 0.0000 34100.0104 -149587.0727 297.8039 -183687.0830 -149492.5931 298.1131 44.7859 75.2100 558281.6990 2.0018 2.0125 PRESSURE: 4431400 180.613 -24.0097 -59.8542 -24.0097 86.1288 -129.034 -59.8544 -129.033 354.164 GPRESSURE: 4431400 206.13 20.4807 5.8198 -102.87 113.013 -124.414 -33.009 -120.844 393.979 PRESSAVG: 4431400 -14.6127 -10.3092 -15.1041 -10.3092 5.8569 -75.4026 -15.1041 -75.4025 7.56938 GPRESSAVG: 4431400 -15.5104 -10.1607 -16.5027 -11.6802 6.34146 -73.7092 -16.0925 -76.8031 7.93713 TIMING: 4431400 CPU: 13313.6, 0.00298206/step Wall: 13313.6, 0.00298206/step, 0.471 hours remaining, 210.789062 MB of memory in use. ENERGY: 4431400 707.1202 2046.6429 1954.4318 107.2677 -206684.4239 18152.0568 0.0000 0.0000 34235.1566 -149481.7478 298.9841 -183716.9044 -149379.3059 298.1038 206.9687 237.7072 556594.7004 -0.3955 -0.4106 PRESSURE: 4431600 -180.189 41.9738 103.711 41.9739 150.545 -134.409 103.711 -134.409 -149.797 GPRESSURE: 4431600 -133.035 55.6197 124.05 34.9663 162.948 -119.392 81.9852 -64.2746 -124.872 PRESSAVG: 4431600 -16.9913 0.0628723 16.037 0.0630006 37.7736 -18.9344 16.037 -18.9343 23.8306 GPRESSAVG: 4431600 -17.0249 0.378876 16.9721 -1.21121 38.1712 -20.5672 16.263 -16.258 23.1607 TIMING: 4431600 CPU: 13314.2, 0.002972/step Wall: 13314.2, 0.002972/step, 0.469245 hours remaining, 210.789062 MB of memory in use. ENERGY: 4431600 753.6672 2064.0381 1950.4932 120.9876 -206263.5785 17751.6948 0.0000 0.0000 34125.9521 -149496.7455 298.0304 -183622.6976 -149403.6011 298.7545 -59.8137 -31.6530 556012.7721 14.8709 14.7690 PRESSURE: 4431800 -42.5188 -128.859 103.539 -128.859 -23.7415 -40.3982 103.539 -40.3984 31.3044 GPRESSURE: 4431800 -30.3509 -125.504 124.034 -197.502 -0.746622 0.704139 127.537 21.3429 102.918 PRESSAVG: 4431800 30.0163 -12.9456 59.9449 -12.9456 -3.47334 52.9137 59.9448 52.9136 -24.0806 GPRESSAVG: 4431800 29.522 -13.2802 61.3169 -14.0421 -3.48337 55.498 58.936 51.442 -23.0592 TIMING: 4431800 CPU: 13314.8, 0.00297379/step Wall: 13314.8, 0.00297379/step, 0.469363 hours remaining, 210.789062 MB of memory in use. ENERGY: 4431800 754.9640 2094.7130 1942.8470 112.0956 -206536.7981 17842.5352 0.0000 0.0000 34317.5039 -149472.1396 299.7033 -183789.6435 -149375.3803 299.0791 -11.6520 23.9403 556571.3121 0.8208 0.9931 PRESSURE: 4432000 -157.987 178.329 9.1587 178.33 -90.1664 -94.5522 9.15781 -94.5522 -398.348 GPRESSURE: 4432000 -168.889 198.208 7.89038 100.484 -16.1821 -96.9972 13.3672 -97.5329 -365.271 PRESSAVG: 4432000 53.9505 -9.95096 17.5678 -9.95105 5.58731 -51.3472 17.5678 -51.3472 -11.3347 GPRESSAVG: 4432000 53.476 -9.97985 17.7696 -7.18117 6.55481 -54.0191 17.8151 -50.0052 -12.5573 TIMING: 4432000 CPU: 13315.3, 0.00296025/step Wall: 13315.3, 0.00296025/step, 0.467062 hours remaining, 210.789062 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: 4432000 794.4450 2073.3162 1946.7456 109.6046 -206470.0031 17833.5125 0.0000 0.0000 34519.0161 -149193.3633 301.4632 -183712.3793 -149089.0641 299.4586 -215.5002 -183.4474 558809.0173 16.0677 15.8245 PRESSURE: 4432200 -59.1579 26.8191 -0.193303 26.8188 -368.857 10.3806 -0.192538 10.381 -20.3266 GPRESSURE: 4432200 -16.1676 5.1549 1.96914 -27.1202 -311.077 47.5689 -17.2155 -28.2355 -19.9514 PRESSAVG: 4432200 3.16354 10.5156 -28.823 10.5155 -29.5792 -52.1219 -28.823 -52.1219 57.5399 GPRESSAVG: 4432200 3.75205 9.99259 -30.1252 9.90566 -31.1332 -53.2435 -28.9747 -52.2675 58.4393 TIMING: 4432200 CPU: 13315.9, 0.00295061/step Wall: 13315.9, 0.00295061/step, 0.465378 hours remaining, 210.789062 MB of memory in use. ENERGY: 4432200 714.9353 2115.6031 1935.8678 107.2868 -206056.9571 17615.6469 0.0000 0.0000 34193.9410 -149373.6761 298.6242 -183567.6171 -149273.9042 299.7661 -149.4473 -115.7322 559118.0143 10.3748 10.3527 LDB: ============= START OF LOAD BALANCING ============== 13319.4 LDB: ============== END OF LOAD BALANCING =============== 13319.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13319.4 LDB: ============= START OF LOAD BALANCING ============== 13319.7 LDB: Largest compute 4773 load 0.028603 is 24.2% of average load 0.118142 LDB: Average compute 0.001738 is 1.5% of average load 0.118142 LDB: TIME 13319.7 LOAD: AVG 0.118142 MAX 0.204083 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.977 MB LDB: TIME 13319.7 LOAD: AVG 0.118142 MAX 0.204083 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.18 MB LDB: TIME 13319.7 LOAD: AVG 0.118142 MAX 0.204083 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.18 MB LDB: ============== END OF LOAD BALANCING =============== 13319.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13319.8 PRESSURE: 4432400 -106.467 -26.6396 -108.918 -26.6406 -232.328 -24.7139 -108.918 -24.7121 34.1969 GPRESSURE: 4432400 -18.339 -9.82091 7.14369 -87.5934 -235.918 -60.8426 -218.721 -38.5044 47.6458 PRESSAVG: 4432400 16.7314 -13.5111 -22.4697 -13.511 -94.9599 -68.416 -22.4697 -68.416 93.1812 GPRESSAVG: 4432400 17.3437 -12.3026 -23.5666 -13.8465 -94.3633 -67.1816 -21.8127 -70.6991 92.2946 TIMING: 4432400 CPU: 13316.5, 0.00302622/step Wall: 13316.5, 0.00302622/step, 0.477135 hours remaining, 210.316406 MB of memory in use. ENERGY: 4432400 747.0366 2045.8039 1985.9668 125.3252 -206212.7113 17649.2599 0.0000 0.0000 34385.0074 -149274.3116 300.2928 -183659.3190 -149168.6070 299.9303 -101.5325 -68.8702 558152.4070 4.9842 5.0917 PRESSURE: 4432600 -108.432 27.6352 165.611 27.6352 -167.923 103.778 165.611 103.777 -59.7929 GPRESSURE: 4432600 -83.0077 13.8922 40.7395 10.2504 -142.733 83.2591 218.79 153.363 2.24474 PRESSAVG: 4432600 -0.547052 -39.9696 -5.31655 -39.9696 -40.0355 10.5373 -5.31657 10.5373 46.2473 GPRESSAVG: 4432600 -0.966196 -40.3846 -5.40321 -37.9923 -40.6373 10.3646 -3.47696 10.6831 47.6273 TIMING: 4432600 CPU: 13317.1, 0.00299316/step Wall: 13317.1, 0.00299316/step, 0.471755 hours remaining, 210.316406 MB of memory in use. ENERGY: 4432600 762.4164 2062.5799 1963.7524 109.7901 -206219.5704 17802.7174 0.0000 0.0000 34224.5739 -149293.7403 298.8917 -183518.3143 -149196.8097 299.7930 -112.0494 -74.4987 559551.3451 1.8882 2.0079 PRESSURE: 4432800 -306.597 -134.33 -11.123 -134.331 -201.024 -115.821 -11.1226 -115.823 -289.216 GPRESSURE: 4432800 -258.178 -122.878 -18.5564 -97.7984 -177.753 -101.025 6.02217 -82.1559 -261.911 PRESSAVG: 4432800 -1.75916 -8.21464 -43.3302 -8.2146 4.40431 -24.6619 -43.3303 -24.6619 1.70497 GPRESSAVG: 4432800 -2.58636 -9.19415 -43.8409 -9.4096 5.84533 -24.4648 -44.6937 -23.5096 1.34053 TIMING: 4432800 CPU: 13317.7, 0.00299262/step Wall: 13317.7, 0.00299262/step, 0.471504 hours remaining, 210.316406 MB of memory in use. ENERGY: 4432800 761.0888 2092.9356 1925.6208 109.1498 -206035.9196 17786.2434 0.0000 0.0000 34192.8313 -149168.0500 298.6145 -183360.8812 -149073.1056 299.3167 -265.6126 -232.6140 559962.5151 1.4500 1.5332 PRESSURE: 4433000 -141.057 7.19207 -82.6264 7.19021 -238.077 91.4698 -82.6276 91.4713 -297.525 GPRESSURE: 4433000 -104.348 14.7497 -28.2139 1.26452 -247.133 -14.0673 -165.495 61.2424 -234.945 PRESSAVG: 4433000 -6.13405 -50.9232 35.3675 -50.9232 16.5685 11.4747 35.3675 11.4747 26.5545 GPRESSAVG: 4433000 -6.15967 -50.4647 35.5801 -49.3755 16.2225 11.7641 36.0779 11.505 26.9765 TIMING: 4433000 CPU: 13318.3, 0.00298487/step Wall: 13318.3, 0.00298487/step, 0.470117 hours remaining, 210.316406 MB of memory in use. ENERGY: 4433000 797.7116 2068.6761 1938.3053 113.3733 -205954.0900 17687.5954 0.0000 0.0000 34134.7798 -149213.6486 298.1075 -183348.4284 -149108.7185 298.7760 -225.5529 -195.4757 559367.2637 12.3296 12.3465 PRESSURE: 4433200 -5.54766 67.0714 -109.146 67.07 74.437 65.0586 -109.146 65.0598 -41.5612 GPRESSURE: 4433200 -1.87669 93.6939 -153.442 62.4181 96.4348 25.386 -99.5666 23.7917 25.4657 PRESSAVG: 4433200 -36.1575 9.82727 1.37808 9.82723 -9.79442 -13.0372 1.37812 -13.0374 18.8922 GPRESSAVG: 4433200 -34.476 9.00419 2.35551 10.1268 -10.0299 -15.1965 0.541459 -13.4345 17.5538 TIMING: 4433200 CPU: 13318.9, 0.00297206/step Wall: 13318.9, 0.00297206/step, 0.467934 hours remaining, 210.316406 MB of memory in use. ENERGY: 4433200 778.1072 2075.9453 1929.8676 114.9406 -206289.3405 17775.4222 0.0000 0.0000 34213.1305 -149401.9270 298.7918 -183615.0575 -149308.8955 299.0150 9.1094 40.0079 558120.9151 -9.0199 -8.9840 PRESSURE: 4433400 -176.578 32.8055 150.15 32.8064 -125.869 -120.209 150.149 -120.211 54.9167 GPRESSURE: 4433400 -84.6099 52.1092 54.319 20.3698 -121.539 -117.425 213.807 -72.434 52.7272 PRESSAVG: 4433400 5.0218 -9.56387 43.5655 -9.56384 -31.3602 12.149 43.5654 12.1489 -34.4129 GPRESSAVG: 4433400 4.9596 -9.15978 44.4485 -11.1974 -31.4098 14.0661 44.888 13.5913 -34.3119 TIMING: 4433400 CPU: 13319.5, 0.00296631/step Wall: 13319.5, 0.00296631/step, 0.466865 hours remaining, 210.316406 MB of memory in use. ENERGY: 4433400 725.0411 2065.1357 1941.1494 111.6485 -206228.2480 17705.1629 0.0000 0.0000 34310.0363 -149370.0740 299.6381 -183680.1103 -149270.3393 299.1890 -82.5102 -51.1407 558459.3900 -20.2504 -20.2540 PRESSURE: 4433600 -138.879 71.4706 -95.5082 71.4701 83.9482 127.171 -95.508 127.173 106.353 GPRESSURE: 4433600 -97.6917 56.7515 -132.413 52.0447 103.83 94.8349 -68.5674 145.955 134.728 PRESSAVG: 4433600 1.28777 -39.6467 63.5421 -39.6467 -27.4486 41.5515 63.5421 41.5515 32.6975 GPRESSAVG: 4433600 -0.25589 -39.4681 63.8735 -40.1713 -26.7271 39.0282 61.551 41.4349 33.4067 TIMING: 4433600 CPU: 13320.1, 0.00296973/step Wall: 13320.1, 0.00296973/step, 0.467238 hours remaining, 210.316406 MB of memory in use. ENERGY: 4433600 732.5977 2075.1565 1932.1333 120.4040 -206565.8619 17871.3460 0.0000 0.0000 34345.2336 -149488.9908 299.9455 -183834.2244 -149391.1191 298.3776 17.1406 46.9554 557092.0813 2.1789 2.1412 PRESSURE: 4433800 -155.794 -57.6441 -5.03853 -57.6449 -218.183 105.208 -5.03988 105.207 -48.7914 GPRESSURE: 4433800 -141.821 -91.8274 1.88921 -74.8982 -157.179 96.3379 -68.2051 117.932 -31.9306 PRESSAVG: 4433800 57.3032 -88.5011 32.2681 -88.5011 -4.53362 6.58759 32.268 6.58761 -13.2741 GPRESSAVG: 4433800 58.8374 -88.7422 31.2175 -87.7568 -4.41114 9.55601 31.9485 6.10049 -15.2145 TIMING: 4433800 CPU: 13320.7, 0.00297691/step Wall: 13320.7, 0.00297691/step, 0.468201 hours remaining, 210.316406 MB of memory in use. ENERGY: 4433800 761.5228 2078.5226 1944.8987 111.5462 -206367.6865 17885.8750 0.0000 0.0000 34220.5078 -149364.8134 298.8562 -183585.3212 -149275.3041 299.5122 -140.9228 -110.3104 558939.4894 13.1652 13.0706 PRESSURE: 4434000 -104.653 31.6452 140.504 31.6456 -86.8979 -59.09 140.505 -59.0883 -373.316 GPRESSURE: 4434000 -112.818 30.7672 123.091 8.53969 -8.67481 -36.6249 227.42 -43.365 -352.288 PRESSAVG: 4434000 -9.2518 -16.2872 -15.061 -16.2872 35.0665 -5.87738 -15.0609 -5.87743 -4.57439 GPRESSAVG: 4434000 -8.92955 -15.5172 -14.8623 -16.3235 34.3376 -5.87776 -15.8183 -6.33196 -3.9213 TIMING: 4434000 CPU: 13321.3, 0.00295567/step Wall: 13321.3, 0.00295567/step, 0.464697 hours remaining, 210.316406 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: 4434000 741.6036 2201.9636 1930.5298 123.6885 -205902.1645 17630.5929 0.0000 0.0000 34277.3797 -148996.4065 299.3529 -183273.7862 -148896.2300 299.2375 -188.2891 -157.9270 559154.3077 7.0801 7.1623 PRESSURE: 4434200 113.223 17.6171 237.383 17.6169 -150.669 -23.913 237.384 -23.9121 -313.04 GPRESSURE: 4434200 129.369 81.5129 198.672 21.4924 -131.943 -128.39 177.638 -29.7436 -247.652 PRESSAVG: 4434200 50.7157 -32.672 -23.9077 -32.672 2.27244 0.637132 -23.9076 0.63704 -18.907 GPRESSAVG: 4434200 50.8149 -34.7538 -24.0139 -31.4028 2.17595 -1.64799 -22.8615 -0.161361 -19.4732 TIMING: 4434200 CPU: 13321.9, 0.00294505/step Wall: 13321.9, 0.00294505/step, 0.462864 hours remaining, 210.316406 MB of memory in use. ENERGY: 4434200 762.9655 2079.5638 1942.8648 109.8344 -205868.1040 17670.6848 0.0000 0.0000 34307.8296 -148994.3611 299.6188 -183302.1907 -148901.5274 300.3989 -116.8286 -83.4085 558638.3785 11.3604 11.1725 PRESSURE: 4434400 46.4809 -20.0147 -42.6542 -20.0153 88.6175 -61.4651 -42.6539 -61.4653 -66.3202 GPRESSURE: 4434400 71.1069 -67.586 24.3098 -76.2093 54.2702 27.8208 -86.2731 -114.804 28.1145 PRESSAVG: 4434400 31.2674 -44.313 -2.64575 -44.313 -23.1271 45.5588 -2.64577 45.5587 -41.6089 GPRESSAVG: 4434400 30.9846 -44.0187 -1.8436 -45.8844 -23.2603 47.1094 -3.37404 47.51 -41.2866 TIMING: 4434400 CPU: 13322.5, 0.00298425/step Wall: 13322.5, 0.00298425/step, 0.46886 hours remaining, 210.316406 MB of memory in use. ENERGY: 4434400 739.2621 2066.4661 1935.5995 114.7252 -206109.7581 17932.8469 0.0000 0.0000 34387.0211 -148933.8372 300.3104 -183320.8583 -148838.5608 300.2818 22.9260 51.1638 558807.2540 -11.1562 -11.1874 PRESSURE: 4434600 122.839 -81.1938 17.6234 -81.1934 -90.7269 108.106 17.6233 108.105 47.8747 GPRESSURE: 4434600 64.2841 -74.0473 92.489 -115.043 6.21042 193.674 8.36636 -3.6071 117.093 PRESSAVG: 4434600 -5.00981 -4.49946 14.2767 -4.49941 -16.1042 9.66165 14.2767 9.66179 -15.6526 GPRESSAVG: 4434600 -6.32707 -3.59118 14.8508 -5.04068 -15.423 10.3676 14.6772 7.69992 -14.5586 TIMING: 4434600 CPU: 13323.1, 0.00295909/step Wall: 13323.1, 0.00295909/step, 0.464741 hours remaining, 210.316406 MB of memory in use. ENERGY: 4434600 733.5257 2074.6435 1947.1469 120.2345 -205916.5650 17742.3445 0.0000 0.0000 34199.2428 -149099.4271 298.6705 -183298.6699 -149004.1000 299.6405 26.6623 62.5291 557347.4882 -12.2556 -12.1029 PRESSURE: 4434800 -41.9114 31.0017 24.9656 31.0006 -192.337 134.851 24.9674 134.851 -269.24 GPRESSURE: 4434800 -26.8641 29.8368 61.2056 66.3014 -135.133 211.736 99.0225 39.6929 -248.704 PRESSAVG: 4434800 36.9911 12.797 66.6452 12.7969 -5.95498 10.4966 66.6452 10.4966 10.1497 GPRESSAVG: 4434800 38.3391 11.8086 67.26 14.2162 -6.58492 11.2802 67.1503 9.28568 9.21332 TIMING: 4434800 CPU: 13323.7, 0.00296074/step Wall: 13323.7, 0.00296074/step, 0.464836 hours remaining, 210.316406 MB of memory in use. ENERGY: 4434800 764.8665 2081.8742 1952.2309 110.7116 -205807.1134 17648.6690 0.0000 0.0000 34019.3775 -149229.3838 297.0997 -183248.7612 -149136.6893 299.3157 -167.8296 -136.9004 558727.5573 13.7286 13.6558 PRESSURE: 4435000 -196.972 3.73852 -63.5404 3.73741 -13.7249 -17.3994 -63.5407 -17.3985 -189.862 GPRESSURE: 4435000 -164.726 51.5488 -95.7592 10.2085 -9.57841 14.4244 -7.31927 1.35871 -146.368 PRESSAVG: 4435000 -22.6633 24.8159 20.9845 24.816 33.6417 37.1353 20.9845 37.1353 -19.0685 GPRESSAVG: 4435000 -25.0169 25.3798 19.3941 24.2416 34.5756 35.676 20.8606 37.3604 -17.8397 TIMING: 4435000 CPU: 13324.3, 0.00297767/step Wall: 13324.3, 0.00297767/step, 0.467329 hours remaining, 210.441406 MB of memory in use. ENERGY: 4435000 756.3651 2107.6705 1933.7040 108.1191 -206161.0581 17756.1512 0.0000 0.0000 34343.2537 -149155.7945 299.9282 -183499.0483 -149067.5006 299.6326 -133.5194 -106.8907 558176.5229 -2.6967 -2.7603 PRESSURE: 4435200 204.667 -126.864 -39.2536 -126.864 34.6963 -192.206 -39.2529 -192.207 122.776 GPRESSURE: 4435200 217.072 -164.02 12.603 -227.629 50.1379 -297.739 -67.0657 -139.906 193.598 PRESSAVG: 4435200 -75.4024 -14.8877 2.69194 -14.8877 20.0202 -65.2909 2.69198 -65.2909 48.0537 GPRESSAVG: 4435200 -74.6912 -14.373 5.31045 -16.5824 19.6038 -65.0892 1.22138 -63.6233 47.1819 TIMING: 4435200 CPU: 13324.9, 0.00301016/step Wall: 13324.9, 0.00301016/step, 0.472261 hours remaining, 210.441406 MB of memory in use. ENERGY: 4435200 723.8444 2044.9860 1935.3203 108.2952 -206132.7244 18071.7091 0.0000 0.0000 34100.4052 -149148.1644 297.8073 -183248.5695 -149054.5100 298.5646 120.7130 153.6027 558981.5578 -2.4428 -2.6352 PRESSURE: 4435400 -119.235 -147.726 -250.056 -147.725 100.935 -97.7341 -250.056 -97.7327 -23.4108 GPRESSURE: 4435400 -52.6489 -86.8166 -226.02 -110.571 124.692 -142.697 -309.369 -121.47 -10.3819 PRESSAVG: 4435400 -48.6209 -29.4099 -36.5347 -29.4099 9.50784 -25.6544 -36.5349 -25.6543 37.5004 GPRESSAVG: 4435400 -47.8366 -27.9669 -37.2939 -28.8128 8.56593 -24.9096 -38.6453 -27.1349 37.9184 TIMING: 4435400 CPU: 13325.5, 0.0030199/step Wall: 13325.5, 0.0030199/step, 0.473621 hours remaining, 210.441406 MB of memory in use. ENERGY: 4435400 734.7559 2103.3845 1945.7631 105.0693 -206366.2201 18078.1189 0.0000 0.0000 34357.8095 -149041.3191 300.0553 -183399.1285 -148945.1819 299.1892 -13.9036 20.5538 558843.8524 -0.5375 -0.4507 PRESSURE: 4435600 -361.552 -63.1031 -215.476 -63.1043 -190.454 -229.238 -215.475 -229.238 -283.726 GPRESSURE: 4435600 -301.844 -158.245 -136.83 -4.91733 -205.909 -137.634 -274.84 -276.786 -232.496 PRESSAVG: 4435600 -25.9839 -30.1211 16.4867 -30.1211 22.2364 -39.7819 16.4868 -39.7819 52.8433 GPRESSAVG: 4435600 -27.0749 -31.7246 15.5419 -29.3049 22.6051 -39.4522 19.8961 -38.9113 53.6224 TIMING: 4435600 CPU: 13326.1, 0.00297015/step Wall: 13326.1, 0.00297015/step, 0.465653 hours remaining, 210.441406 MB of memory in use. ENERGY: 4435600 758.7065 2050.7517 1945.6148 113.0009 -205704.2236 17485.4015 0.0000 0.0000 34267.2639 -149083.4843 299.2645 -183350.7482 -148985.3712 299.8463 -278.5775 -246.7496 558950.3144 16.3653 16.3842 PRESSURE: 4435800 -196.911 -9.72505 3.33419 -9.72492 27.9573 -55.0626 3.33363 -55.0619 -53.4288 GPRESSURE: 4435800 -138.631 -47.0654 1.90369 -6.54137 34.0472 -12.621 41.5129 -9.27719 -23.7838 PRESSAVG: 4435800 64.3962 -15.6948 -49.3521 -15.6947 -60.8295 -11.1564 -49.3521 -11.1563 -5.44211 GPRESSAVG: 4435800 65.605 -13.6947 -47.6104 -16.9261 -61.5018 -12.583 -50.8442 -9.77554 -6.39499 TIMING: 4435800 CPU: 13326.7, 0.00294851/step Wall: 13326.7, 0.00294851/step, 0.462098 hours remaining, 210.441406 MB of memory in use. ENERGY: 4435800 733.2349 2131.0885 1925.0339 111.4141 -205733.2246 17505.0167 0.0000 0.0000 34082.5336 -149244.9029 297.6512 -183327.4365 -149147.4254 299.1097 -74.1275 -42.7891 557402.1260 -0.6251 -0.7639 PRESSURE: 4436000 -19.9778 -161.078 -195.156 -161.077 231.72 69.4668 -195.156 69.4668 -116.376 GPRESSURE: 4436000 19.8313 -156.941 -257.54 -163.029 226.126 23.3546 -154.841 95.9704 -71.279 PRESSAVG: 4436000 -18.7346 -4.78773 -9.74075 -4.78771 -45.5657 -11.6527 -9.74087 -11.6526 26.4781 GPRESSAVG: 4436000 -19.6676 -3.78723 -9.81897 -5.70598 -44.4591 -10.4136 -10.687 -12.5488 26.9783 TIMING: 4436000 CPU: 13327.2, 0.0029621/step Wall: 13327.2, 0.0029621/step, 0.464062 hours remaining, 210.519531 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: 4436000 692.4118 2124.8020 1916.7766 102.7711 -206273.3839 17641.0162 0.0000 0.0000 34619.3871 -149176.2189 302.3397 -183795.6060 -149084.4829 299.0503 31.7886 58.2260 556992.6503 -12.6074 -12.3828 PRESSURE: 4436200 91.8151 -161.093 -25.8135 -161.093 35.104 9.19402 -25.8129 9.19512 -110.975 GPRESSURE: 4436200 142.088 -78.8965 -107.75 -187.858 56.911 53.9131 -25.4978 41.4894 -94.2839 PRESSAVG: 4436200 -57.5986 -79.1603 49.377 -79.1604 -5.45309 16.4397 49.377 16.4397 39.1639 GPRESSAVG: 4436200 -56.44 -82.0816 49.9143 -77.526 -5.35386 17.8949 50.0807 14.4719 37.5564 TIMING: 4436200 CPU: 13327.8, 0.00297448/step Wall: 13327.8, 0.00297448/step, 0.465837 hours remaining, 210.519531 MB of memory in use. ENERGY: 4436200 727.5039 2102.2188 1937.9929 104.2366 -205979.3034 17590.5121 0.0000 0.0000 34368.6959 -149148.1432 300.1504 -183516.8391 -149054.1411 299.7724 5.3148 34.9050 556267.4085 -7.9626 -8.0792 LDB: ============= START OF LOAD BALANCING ============== 13331.4 LDB: ============== END OF LOAD BALANCING =============== 13331.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13331.4 LDB: ============= START OF LOAD BALANCING ============== 13331.7 LDB: Largest compute 4773 load 0.027627 is 23.4% of average load 0.118144 LDB: Average compute 0.001732 is 1.5% of average load 0.118144 LDB: TIME 13331.7 LOAD: AVG 0.118144 MAX 0.200335 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.562 MB LDB: TIME 13331.7 LOAD: AVG 0.118144 MAX 0.200335 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.766 MB LDB: TIME 13331.7 LOAD: AVG 0.118144 MAX 0.200335 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.766 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13331.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13331.7 PRESSURE: 4436400 15.036 -143.175 -9.09684 -143.175 -56.9841 34.3316 -9.09826 34.3313 -136.344 GPRESSURE: 4436400 19.0019 -160.249 -134.793 -176.05 -20.1658 -37.1706 21.9556 80.3439 -81.6839 PRESSAVG: 4436400 -28.6438 -5.57522 -17.5972 -5.57511 45.2365 51.9807 -17.5972 51.9807 11.883 GPRESSAVG: 4436400 -29.7716 -3.79667 -19.3696 -6.90253 45.8543 48.9525 -15.9845 55.832 13.2221 TIMING: 4436400 CPU: 13328.4, 0.00300255/step Wall: 13328.4, 0.00300255/step, 0.470066 hours remaining, 208.464844 MB of memory in use. ENERGY: 4436400 732.9644 2122.2643 1962.8103 116.4181 -206298.2752 17676.3143 0.0000 0.0000 34522.7475 -149164.7562 301.4957 -183687.5037 -149060.8359 299.6697 -59.4307 -27.6159 556746.0177 9.4919 9.7683 PRESSURE: 4436600 -71.9191 187.118 -87.2797 187.118 -123.664 36.0458 -87.2793 36.0448 36.1248 GPRESSURE: 4436600 2.48261 188.375 -86.1133 236.672 -145.081 13.9856 -170.714 93.8259 80.9296 PRESSAVG: 4436600 -10.549 -41.6411 40.202 -41.6412 21.9471 -27.2258 40.2021 -27.2258 -6.36483 GPRESSAVG: 4436600 -10.2565 -42.7481 40.9655 -41.1319 20.8526 -26.5696 40.5507 -28.288 -5.64545 TIMING: 4436600 CPU: 13329, 0.00294312/step Wall: 13329, 0.00294312/step, 0.460598 hours remaining, 208.464844 MB of memory in use. ENERGY: 4436600 750.0689 2040.7704 1940.7763 99.5962 -205839.5282 17640.5615 0.0000 0.0000 34111.1225 -149256.6324 297.9009 -183367.7549 -149167.7478 299.8298 -53.1527 -20.5561 557545.3684 1.6777 1.6502 PRESSURE: 4436800 92.5116 -5.85076 3.28167 -5.85129 -26.6054 -20.2263 3.28251 -20.2266 -195.332 GPRESSURE: 4436800 103.934 85.7985 -51.2503 -21.7013 -61.1339 -44.2141 -60.2614 -44.9542 -78.2649 PRESSAVG: 4436800 23.1066 -20.8585 -19.7641 -20.8584 -44.0528 -18.5829 -19.7641 -18.583 0.523215 GPRESSAVG: 4436800 22.4582 -20.4302 -19.5013 -19.961 -43.1284 -19.4588 -21.4713 -17.5427 0.211367 TIMING: 4436800 CPU: 13329.6, 0.00296444/step Wall: 13329.6, 0.00296444/step, 0.463771 hours remaining, 208.464844 MB of memory in use. ENERGY: 4436800 742.6364 2085.6814 1933.5439 91.5794 -206253.4630 17785.5218 0.0000 0.0000 34136.2726 -149478.2275 298.1206 -183614.5001 -149385.2420 298.8538 -43.1421 -11.8216 557221.6706 -6.8077 -6.8196 PRESSURE: 4437000 365.181 -249.189 -81.6469 -249.188 -283.397 -86.1975 -81.6458 -86.1975 -360.659 GPRESSURE: 4437000 399.171 -201.183 -160.827 -209.849 -241.97 -79.7559 -23.5397 -38.483 -339.247 PRESSAVG: 4437000 14.6979 -45.1647 31.1727 -45.1646 -16.6557 48.2171 31.1726 48.217 8.91217 GPRESSAVG: 4437000 15.3715 -44.9431 31.322 -43.3834 -16.7666 49.965 33.2759 46.3227 8.35804 TIMING: 4437000 CPU: 13330.2, 0.00300721/step Wall: 13330.2, 0.00300721/step, 0.470294 hours remaining, 208.464844 MB of memory in use. ENERGY: 4437000 734.7698 2076.7266 1937.6948 109.8984 -206054.6269 17605.0584 0.0000 0.0000 34216.0499 -149374.4291 298.8173 -183590.4790 -149281.8826 298.4517 -92.9585 -60.6820 557470.9327 2.3181 2.3210 PRESSURE: 4437200 -164.912 189.621 -33.0305 189.62 -31.3892 145.646 -33.029 145.648 -221.276 GPRESSURE: 4437200 -128.993 240.026 -95.4721 224.212 -18.7578 208.701 77.3678 136.5 -162.387 PRESSAVG: 4437200 -1.64604 14.0164 -43.6201 14.0164 14.1061 11.6903 -43.6201 11.6904 20.1787 GPRESSAVG: 4437200 -1.45433 14.6449 -42.2972 11.7215 14.4278 11.2853 -46.173 10.4246 19.5767 TIMING: 4437200 CPU: 13330.8, 0.00298885/step Wall: 13330.8, 0.00298885/step, 0.467257 hours remaining, 208.464844 MB of memory in use. ENERGY: 4437200 741.9232 2017.1956 1945.6407 107.6232 -206002.9449 17704.8954 0.0000 0.0000 34097.1666 -149388.5003 297.7790 -183485.6669 -149292.6971 298.6407 -139.1922 -103.3793 558179.3268 10.8796 10.8501 PRESSURE: 4437400 -29.7423 95.8805 5.42904 95.88 -116.964 44.0592 5.4291 44.0606 125.622 GPRESSURE: 4437400 29.8738 68.1008 -32.3468 95.4397 -103.914 19.9137 24.6672 27.1319 161.748 PRESSAVG: 4437400 10.7778 -29.8809 -38.5082 -29.8809 16.0682 14.0725 -38.5081 14.0725 -27.1194 GPRESSAVG: 4437400 11.1659 -31.5839 -41.2601 -28.8405 14.8994 14.0845 -34.4353 16.4698 -26.3323 TIMING: 4437400 CPU: 13331.4, 0.00297457/step Wall: 13331.4, 0.00297457/step, 0.464859 hours remaining, 208.464844 MB of memory in use. ENERGY: 4437400 728.7167 2034.5888 1949.2710 118.6684 -206412.4729 17992.0879 0.0000 0.0000 34170.9334 -149418.2066 298.4233 -183589.1400 -149323.6683 298.3999 -7.0278 29.2358 557891.6374 -0.0911 -0.0890 PRESSURE: 4437600 -14.5111 -42.7507 81.7915 -42.7496 -256.696 105.12 81.7912 105.121 -35.1335 GPRESSURE: 4437600 -16.4976 56.4899 50.6063 -67.2955 -173.165 81.4249 72.5993 96.2524 -15.0942 PRESSAVG: 4437600 19.786 8.69971 -10.4514 8.69974 -46.963 45.6192 -10.4514 45.6191 18.0465 GPRESSAVG: 4437600 18.0598 10.7669 -8.68526 7.74398 -45.3546 44.4061 -13.2257 45.5542 19.1276 TIMING: 4437600 CPU: 13332, 0.00298595/step Wall: 13332, 0.00298595/step, 0.466472 hours remaining, 208.589844 MB of memory in use. ENERGY: 4437600 746.1823 2092.1216 1941.6491 111.6801 -206267.2198 17741.4806 0.0000 0.0000 34136.9899 -149497.1162 298.1268 -183634.1061 -149403.7013 298.4594 -102.1134 -68.2522 558332.3619 -3.0435 -2.7224 PRESSURE: 4437800 -58.4439 85.6312 -51.6527 85.6317 170.004 -61.5204 -51.6531 -61.5219 316.246 GPRESSURE: 4437800 -3.69916 20.8619 -161.801 140.635 166.596 -39.5005 -103.968 -173.029 376.33 PRESSAVG: 4437800 27.1734 -12.889 36.6756 -12.889 31.5193 14.0227 36.6757 14.0227 -81.0176 GPRESSAVG: 4437800 27.8737 -14.4195 37.2685 -13.4717 30.9648 16.1053 36.3894 12.0971 -80.6382 TIMING: 4437800 CPU: 13332.6, 0.00297441/step Wall: 13332.6, 0.00297441/step, 0.464504 hours remaining, 208.589844 MB of memory in use. ENERGY: 4437800 757.7057 2095.8208 1945.9166 123.1668 -206712.0724 18063.5125 0.0000 0.0000 34239.8194 -149486.1306 299.0249 -183725.9501 -149391.3816 298.9519 142.6021 179.7423 556511.1605 -7.4417 -7.2666 PRESSURE: 4438000 91.6954 -89.9259 6.63063 -89.9271 -235.308 -60.7021 6.6295 -60.7014 6.06372 GPRESSURE: 4438000 79.4276 -99.5516 34.0974 -182.994 -137.058 -26.4758 20.1609 -55.3743 20.9315 PRESSAVG: 4438000 39.4717 -3.92387 27.4789 -3.92381 40.9615 42.5935 27.4788 42.5934 -30.6859 GPRESSAVG: 4438000 39.6407 -3.5283 28.2038 -2.70233 40.7432 39.8508 26.9302 45.7693 -30.5492 TIMING: 4438000 CPU: 13333.2, 0.00295246/step Wall: 13333.2, 0.00295246/step, 0.460912 hours remaining, 208.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4438000 742.9545 2114.9585 1928.1920 94.2438 -206477.6318 17801.9049 0.0000 0.0000 34272.1285 -149523.2496 299.3070 -183795.3781 -149423.5889 298.9388 -45.8497 -12.2330 556822.1919 16.5824 16.6116 PRESSURE: 4438200 -117.196 -83.2751 67.5327 -83.2748 35.8818 44.8149 67.5326 44.8152 -324.788 GPRESSURE: 4438200 -77.0437 -60.9961 44.5653 -111.497 82.6773 10.3941 189.436 46.5718 -298.731 PRESSAVG: 4438200 47.7165 46.2839 -11.8103 46.284 7.41159 -26.6847 -11.8104 -26.6846 -45.0711 GPRESSAVG: 4438200 48.7452 46.3618 -11.8385 45.034 6.78071 -23.8869 -12.1156 -29.1622 -45.4827 TIMING: 4438200 CPU: 13333.8, 0.00296379/step Wall: 13333.8, 0.00296379/step, 0.462516 hours remaining, 208.589844 MB of memory in use. ENERGY: 4438200 721.8073 2123.0087 1928.8820 111.2519 -206090.1005 17501.4982 0.0000 0.0000 34324.4048 -149379.2476 299.7636 -183703.6524 -149275.1501 299.5301 -135.3676 -97.6991 557123.8072 3.3523 3.3478 PRESSURE: 4438400 -33.5959 94.4096 -22.3637 94.4097 93.7718 -150.942 -22.3652 -150.943 80.0143 GPRESSURE: 4438400 -8.86409 121.01 -29.5516 87.2403 114.174 -75.0652 -64.4953 -156.82 142.427 PRESSAVG: 4438400 48.2986 6.89984 9.00512 6.89984 -41.8854 25.8404 9.0051 25.8403 -8.46527 GPRESSAVG: 4438400 48.7579 6.89208 9.4649 6.63422 -42.2085 24.6671 8.20935 25.3796 -8.29171 TIMING: 4438400 CPU: 13334.4, 0.00297839/step Wall: 13334.4, 0.00297839/step, 0.464629 hours remaining, 208.589844 MB of memory in use. ENERGY: 4438400 756.6108 2111.4989 1927.6122 108.7451 -206354.5787 17973.5674 0.0000 0.0000 34175.4918 -149301.0524 298.4631 -183476.5442 -149208.2201 298.1478 46.7300 82.5788 557427.7720 -0.6840 -0.5808 PRESSURE: 4438600 -185.31 27.0479 -45.9093 27.0474 140.822 7.56061 -45.9081 7.56097 -159.555 GPRESSURE: 4438600 -149.031 -34.3356 -34.6941 56.6605 120.642 92.8571 17.9242 -2.89702 -80.3569 PRESSAVG: 4438600 -20.9778 -31.6488 63.2051 -31.6488 14.9404 36.5922 63.205 36.5923 21.0536 GPRESSAVG: 4438600 -21.7983 -33.6643 61.0429 -28.9829 16.0218 37.4211 65.1917 37.5615 21.1692 TIMING: 4438600 CPU: 13335, 0.00297014/step Wall: 13335, 0.00297014/step, 0.463177 hours remaining, 208.589844 MB of memory in use. ENERGY: 4438600 739.2475 2136.7869 1923.2006 114.4003 -206203.2977 17708.7860 0.0000 0.0000 34244.1666 -149336.7097 299.0628 -183580.8763 -149237.9201 299.1564 -68.0143 -36.2486 556930.4449 5.0054 5.1309 PRESSURE: 4438800 302.88 -187.271 -6.41509 -187.271 -53.2563 103.88 -6.41537 103.879 57.9999 GPRESSURE: 4438800 321.384 -186.752 27.7512 -106.853 -49.6614 48.9416 -57.5765 93.577 142.843 PRESSAVG: 4438800 41.0397 -26.7806 24.0899 -26.7805 -53.4756 -20.6071 24.0899 -20.6071 30.9164 GPRESSAVG: 4438800 40.3563 -27.6631 24.6174 -27.3314 -53.131 -21.3768 25.4942 -19.7018 30.8808 TIMING: 4438800 CPU: 13335.6, 0.00300865/step Wall: 13335.6, 0.00300865/step, 0.469015 hours remaining, 208.589844 MB of memory in use. ENERGY: 4438800 743.0496 2094.9472 1932.0055 123.6802 -206301.4840 17865.1941 0.0000 0.0000 34322.5861 -149220.0214 299.7477 -183542.6075 -149129.1669 299.1897 102.5412 138.1884 556968.3446 6.1602 6.0354 PRESSURE: 4439000 307.483 -112.632 2.82786 -112.632 117.909 11.4538 2.82781 11.4532 142.15 GPRESSURE: 4439000 329.146 -80.114 20.7652 -56.3377 186.163 60.2362 0.241731 25.0986 145.091 PRESSAVG: 4439000 -10.5307 -32.8348 17.0912 -32.8347 -61.0305 3.49436 17.0912 3.4943 61.5718 GPRESSAVG: 4439000 -10.9151 -31.5144 17.6574 -34.6428 -60.7083 4.08398 12.9771 2.52876 61.5909 TIMING: 4439000 CPU: 13336.2, 0.00296808/step Wall: 13336.2, 0.00296808/step, 0.462525 hours remaining, 208.589844 MB of memory in use. ENERGY: 4439000 751.9707 2066.7934 1957.8124 117.5454 -206645.7992 18239.4914 0.0000 0.0000 34265.5657 -149246.6202 299.2497 -183512.1859 -149147.3273 299.1839 189.1806 220.1334 557063.8722 -3.3298 -3.3442 PRESSURE: 4439200 12.5778 -115.757 246.003 -115.757 22.8705 139.354 246.003 139.354 -141.852 GPRESSURE: 4439200 72.9706 -136.204 258.347 -82.131 35.0793 146.486 133.221 241.716 -131.287 PRESSAVG: 4439200 43.0414 23.6671 36.6794 23.667 -34.2112 68.6407 36.6794 68.6408 -60.1634 GPRESSAVG: 4439200 43.4281 24.1631 35.2764 24.6272 -35.1406 67.3514 37.8677 67.5486 -59.8988 TIMING: 4439200 CPU: 13336.8, 0.00297658/step Wall: 13336.8, 0.00297658/step, 0.463685 hours remaining, 208.589844 MB of memory in use. ENERGY: 4439200 714.4543 2069.7651 1934.3683 119.1251 -205846.4705 17490.4213 0.0000 0.0000 34236.4274 -149281.9089 298.9952 -183518.3363 -149183.4890 299.3836 -35.4679 -7.7456 558409.4522 -17.1110 -17.2038 PRESSURE: 4439400 -73.473 -35.0513 7.53555 -35.0516 15.1465 -1.95961 7.53643 -1.95878 117.447 GPRESSURE: 4439400 -41.6919 -75.4566 12.4508 -13.0317 69.0966 38.7389 -35.6005 10.2375 127.004 PRESSAVG: 4439400 -7.88249 75.2678 4.5095 75.2679 1.68224 -0.948833 4.50953 -0.948915 -24.4232 GPRESSAVG: 4439400 -7.12511 74.2995 5.28491 74.1294 0.920449 0.755578 6.13352 -0.982872 -24.4553 TIMING: 4439400 CPU: 13337.4, 0.00296011/step Wall: 13337.4, 0.00296011/step, 0.460954 hours remaining, 208.589844 MB of memory in use. ENERGY: 4439400 732.6587 2082.7100 1915.7863 123.4492 -206137.4544 17999.7657 0.0000 0.0000 34031.4423 -149251.6421 297.2050 -183283.0844 -149149.6356 298.4239 19.7068 51.4696 560018.2067 -10.2078 -10.2200 PRESSURE: 4439600 158.922 69.1754 -29.9122 69.1754 127.333 170.617 -29.9118 170.615 -187.683 GPRESSURE: 4439600 254.591 172.301 -4.93436 -6.31091 79.7788 123.329 -67.8501 129.81 -122.076 PRESSAVG: 4439600 11.0504 42.3774 -30.268 42.3773 -36.9293 12.8916 -30.2679 12.8917 10.5938 GPRESSAVG: 4439600 9.44869 43.1402 -28.5311 42.7406 -37.1084 9.63735 -32.3785 16.1597 12.3308 TIMING: 4439600 CPU: 13338, 0.0029643/step Wall: 13338, 0.0029643/step, 0.461442 hours remaining, 208.589844 MB of memory in use. ENERGY: 4439600 750.7660 2142.2207 1941.8581 127.5105 -205975.8864 17782.9202 0.0000 0.0000 34199.8298 -149030.7811 298.6756 -183230.6109 -148936.6520 299.6342 32.8571 70.7644 557885.9057 -5.0950 -5.1096 PRESSURE: 4439800 71.3863 -40.127 -107.132 -40.1264 -94.425 111.852 -107.132 111.85 45.499 GPRESSURE: 4439800 80.1817 -13.5693 -5.97564 -101.278 -17.2932 144.719 -138.169 55.2138 62.5737 PRESSAVG: 4439800 50.7808 -15.5677 39.896 -15.5676 -56.7122 24.9852 39.896 24.9851 -35.5558 GPRESSAVG: 4439800 51.6424 -16.4341 38.7156 -14.5104 -54.8425 27.401 40.765 21.7933 -38.1394 TIMING: 4439800 CPU: 13338.6, 0.00296211/step Wall: 13338.6, 0.00296211/step, 0.460938 hours remaining, 208.589844 MB of memory in use. ENERGY: 4439800 781.8724 2051.8128 1919.3696 115.2395 -206393.2580 18038.9835 0.0000 0.0000 34255.3766 -149230.6036 299.1607 -183485.9801 -149126.1437 298.8091 7.4868 41.8207 558576.0370 -13.8291 -13.7798 PRESSURE: 4440000 -129.75 6.56723 58.2921 6.56739 -18.7655 -84.4804 58.2923 -84.4807 282.815 GPRESSURE: 4440000 -115.606 -42.7745 57.1333 88.2047 40.1304 -68.7737 73.0468 -138.043 309.301 PRESSAVG: 4440000 -31.2398 -43.7709 51.3264 -43.7708 -61.4417 -63.5704 51.3263 -63.5704 66.114 GPRESSAVG: 4440000 -30.9104 -43.5583 51.1553 -45.1676 -62.7946 -65.1418 51.5528 -62.454 67.6948 TIMING: 4440000 CPU: 13339.1, 0.00297116/step Wall: 13339.1, 0.00297116/step, 0.46218 hours remaining, 208.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4440000 716.8570 2091.8458 1942.0422 116.9769 -206215.5415 17964.9003 0.0000 0.0000 34196.0491 -149186.8703 298.6426 -183382.9194 -149093.0496 298.6453 44.7666 77.9416 560067.9355 -8.8558 -8.6701 PRESSURE: 4440200 -183.311 24.366 118.053 24.365 75.421 -15.6897 118.053 -15.6887 100.124 GPRESSURE: 4440200 -153.197 -5.47493 76.5433 33.7518 154.525 13.6577 177.192 5.15603 98.1624 PRESSAVG: 4440200 51.4899 17.0575 42.5651 17.0574 -43.9529 47.1794 42.565 47.1793 -15.5984 GPRESSAVG: 4440200 51.5359 16.946 41.0786 18.5809 -43.1952 51.2863 43.5383 43.8646 -16.9135 TIMING: 4440200 CPU: 13339.7, 0.00295441/step Wall: 13339.7, 0.00295441/step, 0.459411 hours remaining, 208.589844 MB of memory in use. ENERGY: 4440200 735.4908 2114.3482 1944.0127 111.1684 -206326.8796 17829.4047 0.0000 0.0000 34339.1577 -149253.2971 299.8924 -183592.4547 -149154.2770 299.1890 -2.5887 33.1635 558290.3148 -2.6871 -2.8576 LDB: ============= START OF LOAD BALANCING ============== 13343.2 LDB: ============== END OF LOAD BALANCING =============== 13343.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13343.2 LDB: ============= START OF LOAD BALANCING ============== 13343.5 LDB: Largest compute 4773 load 0.027683 is 23.4% of average load 0.118130 LDB: Average compute 0.001737 is 1.5% of average load 0.118130 LDB: TIME 13343.5 LOAD: AVG 0.11813 MAX 0.202089 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.125 MB LDB: TIME 13343.5 LOAD: AVG 0.11813 MAX 0.202089 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.328 MB LDB: TIME 13343.5 LOAD: AVG 0.11813 MAX 0.202089 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.328 MB LDB: ============== END OF LOAD BALANCING =============== 13343.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13343.6 PRESSURE: 4440400 -342.629 -77.6366 -70.2937 -77.6366 -222.072 -79.8536 -70.2948 -79.8528 -581.788 GPRESSURE: 4440400 -327.339 -66.8071 -60.2223 -45.5306 -189.763 39.1926 -65.4065 -114.183 -534.072 PRESSAVG: 4440400 56.4486 10.9258 4.79574 10.9257 -16.7506 -12.4987 4.79568 -12.4987 -13.0936 GPRESSAVG: 4440400 57.1398 12.6695 6.4316 7.7468 -16.4146 -13.9108 4.91425 -10.9479 -14.2596 TIMING: 4440400 CPU: 13340.3, 0.00298486/step Wall: 13340.3, 0.00298486/step, 0.46398 hours remaining, 208.992188 MB of memory in use. ENERGY: 4440400 762.2401 2123.2778 1936.9336 116.1850 -205419.2553 17124.1354 0.0000 0.0000 34150.9833 -149205.5002 298.2490 -183356.4835 -149103.9363 299.1005 -382.1633 -350.3912 557950.4134 8.8681 8.8219 PRESSURE: 4440600 -9.36408 14.5114 39.3324 14.5105 -33.4317 25.4343 39.3325 25.4328 -231.834 GPRESSURE: 4440600 24.3147 11.7279 -105.313 -51.5114 4.28845 -12.1809 33.6693 32.7534 -201.233 PRESSAVG: 4440600 7.52579 -14.7978 -7.89825 -14.7978 39.2202 27.801 -7.89824 27.801 -16.978 GPRESSAVG: 4440600 6.81925 -14.2913 -9.35853 -14.2943 37.6448 28.1827 -8.94505 27.9699 -14.6896 TIMING: 4440600 CPU: 13340.9, 0.00292289/step Wall: 13340.9, 0.00292289/step, 0.454185 hours remaining, 209.195312 MB of memory in use. ENERGY: 4440600 729.3170 2104.5970 1929.6770 116.1037 -205926.2648 17659.1169 0.0000 0.0000 34396.0043 -148991.4489 300.3889 -183387.4532 -148892.7369 299.5473 -91.5432 -57.5433 559290.8284 9.9227 9.9248 PRESSURE: 4440800 -335.574 -4.8602 -170.932 -4.85968 -295.692 154.146 -170.932 154.146 -180.89 GPRESSURE: 4440800 -282.351 25.9137 -167.315 10.701 -274.493 157.169 -193.051 167.687 -144.539 PRESSAVG: 4440800 -35.8185 19.6293 -72.5754 19.6292 68.7676 18.349 -72.5754 18.3493 -22.1645 GPRESSAVG: 4440800 -36.7445 17.1176 -69.7469 20.4543 70.0402 17.4972 -74.0277 18.0175 -22.3959 TIMING: 4440800 CPU: 13341.5, 0.00292006/step Wall: 13341.5, 0.00292006/step, 0.453583 hours remaining, 209.195312 MB of memory in use. ENERGY: 4440800 712.6251 2112.6555 1927.0067 120.2564 -205484.7851 17366.1669 0.0000 0.0000 34285.9484 -148960.1261 299.4277 -183246.0745 -148868.0134 300.1747 -270.7187 -233.7941 559473.7888 3.5949 3.6333 PRESSURE: 4441000 -158.846 92.3324 -249.081 92.3322 -31.4911 66.8243 -249.081 66.8256 142.929 GPRESSURE: 4441000 -135.373 72.0038 -236.721 71.813 21.5369 96.9688 -232.686 -2.07212 152.481 PRESSAVG: 4441000 -15.3996 19.8925 -40.7233 19.8926 70.5743 -4.75236 -40.7233 -4.75246 -54.6222 GPRESSAVG: 4441000 -14.2371 18.9317 -42.5568 22.3449 71.3104 -4.37371 -39.6501 -4.94787 -56.2736 TIMING: 4441000 CPU: 13342.1, 0.0029498/step Wall: 13342.1, 0.0029498/step, 0.458039 hours remaining, 209.265625 MB of memory in use. ENERGY: 4441000 707.2028 2097.0564 1909.7538 116.1883 -205531.0639 17624.2532 0.0000 0.0000 34013.2896 -149063.3197 297.0465 -183076.6093 -148971.6284 299.0896 -15.8027 12.8816 558116.1272 0.1842 0.2666 PRESSURE: 4441200 169.404 -73.1203 136.184 -73.1207 219.834 124.907 136.182 124.907 -78.5282 GPRESSURE: 4441200 241.155 -91.6018 151.675 -70.8206 219.818 46.5955 52.742 197.734 -57.327 PRESSAVG: 4441200 -53.1874 -3.45456 21.4635 -3.45465 59.9629 -2.73474 21.4635 -2.7346 11.3287 GPRESSAVG: 4441200 -53.3518 -1.74936 20.1439 -4.44385 58.5259 -2.64223 21.5467 -2.6992 12.8018 TIMING: 4441200 CPU: 13342.7, 0.00298033/step Wall: 13342.7, 0.00298033/step, 0.462614 hours remaining, 209.265625 MB of memory in use. ENERGY: 4441200 732.8828 2085.7707 1947.4774 99.0587 -206443.3460 18037.6119 0.0000 0.0000 34452.4032 -149088.1413 300.8814 -183540.5445 -148991.3220 298.7984 103.5702 134.5486 557302.1668 6.0347 5.9920 PRESSURE: 4441400 45.2298 25.5504 57.0664 25.5479 189.935 75.5644 57.0678 75.5627 191.086 GPRESSURE: 4441400 111.549 39.5487 -13.704 34.3493 262.619 76.7595 -28.1161 104.704 150.737 PRESSAVG: 4441400 -11.0938 -8.78303 -26.3686 -8.78311 -61.9881 3.98981 -26.3685 3.98994 56.0565 GPRESSAVG: 4441400 -10.681 -8.10909 -24.7514 -11.1018 -61.0739 2.83722 -26.8399 6.14187 54.6721 TIMING: 4441400 CPU: 13343.3, 0.00293167/step Wall: 13343.3, 0.00293167/step, 0.454897 hours remaining, 209.265625 MB of memory in use. ENERGY: 4441400 719.9318 2126.4007 1962.2757 124.4324 -206124.3730 17894.1569 0.0000 0.0000 34277.8020 -149019.3735 299.3566 -183297.1755 -148926.6743 299.2066 142.0836 174.9682 556394.0250 -5.6751 -5.6943 PRESSURE: 4441600 -63.9656 -17.1873 41.4433 -17.1871 200.908 -53.3914 41.4442 -53.391 187.804 GPRESSURE: 4441600 -19.2732 -23.3106 52.0499 -30.1602 242.035 -153.256 -19.9834 47.6581 200.051 PRESSAVG: 4441600 31.5809 -1.57486 51.3504 -1.57488 7.97645 -58.7427 51.3505 -58.7425 -31.7292 GPRESSAVG: 4441600 30.9926 -0.339991 50.0727 -1.06427 7.8328 -58.6988 51.9137 -59.5601 -31.1086 TIMING: 4441600 CPU: 13343.9, 0.00295742/step Wall: 13343.9, 0.00295742/step, 0.458728 hours remaining, 209.265625 MB of memory in use. ENERGY: 4441600 751.1231 2104.6831 1941.0760 107.8687 -206347.9279 18044.8157 0.0000 0.0000 34328.1322 -149070.2290 299.7961 -183398.3613 -148976.9021 299.6841 108.2486 140.9374 556721.7771 2.6094 2.5723 PRESSURE: 4441800 95.4764 -83.0672 87.7896 -83.0674 -209.68 40.7216 87.79 40.7229 -152.119 GPRESSURE: 4441800 75.4848 -159.763 144.08 7.23163 -121.657 87.3099 151.74 -14.6296 -127.39 PRESSAVG: 4441800 -20.7126 26.6044 54.4058 26.6044 -21.9904 10.2556 54.4058 10.2556 23.7646 GPRESSAVG: 4441800 -21.1968 25.87 56.7845 24.9227 -21.8495 9.89261 53.1067 8.72577 23.9318 TIMING: 4441800 CPU: 13344.5, 0.0029705/step Wall: 13344.5, 0.0029705/step, 0.460592 hours remaining, 209.265625 MB of memory in use. ENERGY: 4441800 722.8746 2190.7401 1945.3734 109.0373 -205665.2694 17466.1569 0.0000 0.0000 34193.0676 -149038.0196 298.6166 -183231.0872 -148939.3952 299.8024 -88.7743 -57.8542 558294.2677 -6.3128 -6.3715 PRESSURE: 4442000 -107.333 -39.0479 -185.393 -39.048 -242.732 -24.9954 -185.393 -24.9954 -182.102 GPRESSURE: 4442000 -38.8472 -78.3187 -197.038 -30.9187 -200.793 28.9602 -120.237 19.842 -194.913 PRESSAVG: 4442000 9.81059 22.0457 21.7933 22.0458 -17.8523 -10.4067 21.7933 -10.4066 10.3845 GPRESSAVG: 4442000 9.24899 22.7918 20.3104 21.5033 -17.4034 -12.3817 20.8578 -7.59395 10.5498 TIMING: 4442000 CPU: 13345.1, 0.00296624/step Wall: 13345.1, 0.00296624/step, 0.459767 hours remaining, 209.265625 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: 4442000 748.8330 2114.7235 1955.7893 114.7570 -205502.4397 17227.5753 0.0000 0.0000 34293.4140 -149047.3476 299.4929 -183340.7616 -148947.2895 299.6646 -177.3889 -144.8511 557486.8084 0.7809 0.7984 PRESSURE: 4442200 -34.1388 -173.148 83.311 -173.148 179.068 -2.63979 83.3112 -2.63929 164.326 GPRESSURE: 4442200 16.6004 -109.637 137.563 -241.575 185.873 4.57744 80.9534 -24.7278 204.166 PRESSAVG: 4442200 49.9555 -25.112 15.3337 -25.112 -4.37558 23.5459 15.3336 23.5459 9.864 GPRESSAVG: 4442200 51.5623 -25.9105 15.5037 -23.6559 -6.15825 26.6245 16.7948 21.0788 9.70487 TIMING: 4442200 CPU: 13345.6, 0.00296601/step Wall: 13345.6, 0.00296601/step, 0.459566 hours remaining, 209.265625 MB of memory in use. ENERGY: 4442200 726.2836 2070.6830 1947.6372 104.8777 -206045.5961 17901.8105 0.0000 0.0000 34246.6017 -149047.7026 299.0841 -183294.3042 -148951.8416 299.8595 103.0849 135.5467 556828.0887 18.4813 18.3696 PRESSURE: 4442400 -233.03 -56.8378 17.2543 -56.8368 11.4432 15.8903 17.2555 15.8927 -76.9113 GPRESSURE: 4442400 -199.691 -31.5403 40.0563 -80.7147 30.9145 -13.4558 65.0872 24.9848 -41.7017 PRESSAVG: 4442400 27.9429 -45.9022 5.11548 -45.9021 -32.6503 -29.1877 5.11543 -29.1877 8.14221 GPRESSAVG: 4442400 27.0043 -44.2817 4.86998 -45.843 -32.6644 -31.5742 7.98135 -28.5368 8.73416 TIMING: 4442400 CPU: 13346.2, 0.00293897/step Wall: 13346.2, 0.00293897/step, 0.455214 hours remaining, 209.265625 MB of memory in use. ENERGY: 4442400 760.4025 2081.4990 1955.9616 109.5082 -205710.0388 17653.6414 0.0000 0.0000 34085.9593 -149063.0667 297.6812 -183149.0260 -148967.8319 299.7724 -99.4994 -70.1595 558737.4534 1.1449 1.0247 PRESSURE: 4442600 -189.779 133.618 84.3741 133.618 -162.139 -37.209 84.3745 -37.2104 -152.607 GPRESSURE: 4442600 -175.829 113.395 73.2532 112.034 -132.582 -8.04601 96.4483 -35.2034 -100.29 PRESSAVG: 4442600 3.7191 20.8607 6.13604 20.8607 -77.5157 1.83509 6.13602 1.83515 3.53335 GPRESSAVG: 4442600 4.40052 18.0441 6.97314 22.7529 -76.6065 4.34207 2.81159 1.64809 2.65524 TIMING: 4442600 CPU: 13346.8, 0.00294552/step Wall: 13346.8, 0.00294552/step, 0.456065 hours remaining, 209.265625 MB of memory in use. ENERGY: 4442600 766.5300 2095.2577 1938.3110 116.6789 -206089.5554 17658.0483 0.0000 0.0000 34490.7217 -149024.0077 301.2161 -183514.7294 -148927.5327 299.4595 -168.1752 -136.2335 559077.7434 -23.4211 -23.1836 PRESSURE: 4442800 -13.2056 -6.95176 -146.486 -6.95259 -226.378 169.963 -146.485 169.963 -83.7396 GPRESSURE: 4442800 36.5265 74.5185 -73.7848 -38.801 -194.725 157.334 -131.917 144.23 -62.7005 PRESSAVG: 4442800 18.7207 27.4574 14.6725 27.4575 -12.1521 -37.2494 14.6725 -37.2493 13.3473 GPRESSAVG: 4442800 18.8483 29.5393 15.902 25.8898 -11.7333 -35.9858 15.6942 -37.6124 12.9952 TIMING: 4442800 CPU: 13347.4, 0.00295429/step Wall: 13347.4, 0.00295429/step, 0.457258 hours remaining, 209.265625 MB of memory in use. ENERGY: 4442800 782.6982 2095.7508 1947.5833 104.8493 -206209.4998 17677.1679 0.0000 0.0000 34602.4519 -148998.9984 302.1918 -183601.4503 -148894.3783 300.2733 -107.7745 -73.6329 557403.8957 6.6386 6.7034 PRESSURE: 4443000 70.2191 -63.1434 -0.757463 -63.143 -235.865 -162.137 -0.757148 -162.136 -128.104 GPRESSURE: 4443000 115.918 -77.4619 -134.635 -88.3189 -232.18 -212.998 48.0622 -99.1111 -75.9883 PRESSAVG: 4443000 6.79706 20.7984 -37.0294 20.7983 -64.6279 -18.635 -37.0294 -18.6352 -4.23073 GPRESSAVG: 4443000 5.90005 18.6131 -38.271 20.8591 -64.5128 -17.8758 -35.8193 -20.2668 -2.7557 TIMING: 4443000 CPU: 13348, 0.00298217/step Wall: 13348, 0.00298217/step, 0.461408 hours remaining, 209.265625 MB of memory in use. ENERGY: 4443000 743.5849 2036.2733 1959.1362 103.9329 -205955.6582 17666.2199 0.0000 0.0000 34365.5871 -149080.9237 300.1232 -183446.5109 -148991.8003 299.8134 -97.9164 -64.0836 558272.5994 -20.6872 -20.4562 PRESSURE: 4443200 -325.687 34.6682 113.839 34.668 59.3371 -127.24 113.84 -127.24 248.678 GPRESSURE: 4443200 -296.093 -4.03859 103.899 30.5087 87.8077 -57.3135 95.4983 -92.0693 290.235 PRESSAVG: 4443200 3.73929 -28.2048 -10.7298 -28.2047 33.0173 -24.1711 -10.7298 -24.171 -50.8739 GPRESSAVG: 4443200 4.85052 -26.7761 -11.1669 -27.6222 31.7963 -26.9114 -13.2309 -21.7915 -50.2888 TIMING: 4443200 CPU: 13348.6, 0.00294736/step Wall: 13348.6, 0.00294736/step, 0.455858 hours remaining, 209.265625 MB of memory in use. ENERGY: 4443200 759.2237 2105.3912 1927.5123 103.2102 -205855.1187 17742.8988 0.0000 0.0000 34143.0135 -149073.8690 298.1794 -183216.8825 -148981.4468 299.7502 -5.8907 27.3166 557518.3455 -4.7058 -4.5473 PRESSURE: 4443400 60.0842 21.0434 -131.532 21.0454 -68.1714 -112.169 -131.533 -112.168 -133.665 GPRESSURE: 4443400 104.019 103.404 -64.0741 -109.353 -54.9662 -96.9673 -156.279 -137.957 -92.8309 PRESSAVG: 4443400 14.0026 -39.7918 67.79 -39.7918 11.7501 3.23829 67.79 3.23835 -44.7452 GPRESSAVG: 4443400 12.8598 -40.5019 69.3434 -40.8156 13.0304 2.00694 67.3024 3.60797 -44.8174 TIMING: 4443400 CPU: 13349.2, 0.00295116/step Wall: 13349.2, 0.00295116/step, 0.456283 hours remaining, 209.265625 MB of memory in use. ENERGY: 4443400 715.9316 2037.8440 1977.6278 105.9639 -205924.0963 17709.9440 0.0000 0.0000 34260.2999 -149116.4851 299.2037 -183376.7850 -149018.9356 299.5157 -47.2508 -14.5928 558284.3938 -6.3308 -6.3091 PRESSURE: 4443600 -185.364 42.8755 46.988 42.8755 100.987 4.75222 46.9866 4.75214 46.7405 GPRESSURE: 4443600 -138.8 29.8302 -69.8608 73.4532 118.657 -16.3789 126.109 -19.4876 80.734 PRESSAVG: 4443600 30.3818 14.344 -20.2252 14.344 -34.9375 -24.1889 -20.2251 -24.1889 22.2297 GPRESSAVG: 4443600 32.6065 14.3749 -21.2992 15.2751 -35.4994 -21.7541 -18.0089 -25.8165 20.8946 TIMING: 4443600 CPU: 13349.8, 0.00296143/step Wall: 13349.8, 0.00296143/step, 0.457706 hours remaining, 209.265625 MB of memory in use. ENERGY: 4443600 765.3243 2097.6845 1922.4512 122.8278 -206291.4792 17851.2686 0.0000 0.0000 34204.5887 -149327.3340 298.7172 -183531.9227 -149231.0300 299.2719 -12.5458 20.1968 557874.5044 5.8913 6.0005 PRESSURE: 4443800 58.3331 183.04 7.54897 183.04 -144.539 -117.565 7.5475 -117.565 272.817 GPRESSURE: 4443800 135.351 184.424 39.8648 131.468 -115.022 -132.829 87.2068 -72.4491 264.361 PRESSAVG: 4443800 -31.9762 -4.09128 25.6867 -4.09125 -5.7858 -4.28301 25.6867 -4.28294 16.5522 GPRESSAVG: 4443800 -31.8664 -3.02908 26.825 -5.92251 -5.14763 -5.148 25.4681 -4.36797 15.9094 TIMING: 4443800 CPU: 13350.4, 0.00298697/step Wall: 13350.4, 0.00298697/step, 0.461487 hours remaining, 209.265625 MB of memory in use. ENERGY: 4443800 743.4422 2088.6897 1939.7324 102.7005 -206377.6325 17885.9014 0.0000 0.0000 34288.9842 -149328.1821 299.4542 -183617.1663 -149231.0337 298.3887 62.2035 94.8966 556864.1316 -7.0699 -7.0349 PRESSURE: 4444000 -28.7017 -135.007 136.908 -135.008 -206.844 -168.604 136.907 -168.603 -88.6474 GPRESSURE: 4444000 -7.97835 -79.4473 191.767 -217.63 -169.562 -179.627 127.595 -126.464 -43.4205 PRESSAVG: 4444000 19.6334 13.7097 -27.854 13.7096 -34.6793 9.56377 -27.8541 9.5637 5.13583 GPRESSAVG: 4444000 18.5628 11.6768 -29.1206 16.508 -35.5303 8.89428 -29.371 8.66687 6.7703 TIMING: 4444000 CPU: 13351, 0.00296364/step Wall: 13351, 0.00296364/step, 0.457718 hours remaining, 209.265625 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: 4444000 740.0897 2079.7321 1946.6153 116.3700 -206028.1938 17587.8682 0.0000 0.0000 34211.5473 -149345.9710 298.7780 -183557.5184 -149252.7185 299.2037 -108.0644 -73.6537 556959.5966 -3.3034 -3.3991 PRESSURE: 4444200 -45.0865 -143.99 30.6956 -143.989 -19.1754 -28.7371 30.6958 -28.7389 0.582146 GPRESSURE: 4444200 -88.0182 -225.939 117.666 -98.3884 62.9098 -20.6511 61.9044 -115.045 49.6914 PRESSAVG: 4444200 -0.306185 -30.8869 12.7773 -30.8867 -54.0009 -27.9046 12.7773 -27.9047 61.7541 GPRESSAVG: 4444200 -1.09531 -29.8203 14.1519 -31.5893 -52.8895 -26.197 13.6802 -28.7807 61.1023 TIMING: 4444200 CPU: 13351.6, 0.00297251/step Wall: 13351.6, 0.00297251/step, 0.458922 hours remaining, 209.265625 MB of memory in use. ENERGY: 4444200 734.2844 2118.9928 1934.5158 104.4238 -206275.4921 17748.7731 0.0000 0.0000 34263.3556 -149371.1467 299.2304 -183634.5023 -149272.3633 298.7937 -21.2266 8.1943 556065.3200 2.4823 2.3725 LDB: ============= START OF LOAD BALANCING ============== 13355.1 LDB: ============== END OF LOAD BALANCING =============== 13355.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13355.1 LDB: ============= START OF LOAD BALANCING ============== 13355.4 LDB: Largest compute 4773 load 0.026746 is 22.6% of average load 0.118144 LDB: Average compute 0.001739 is 1.5% of average load 0.118144 LDB: TIME 13355.4 LOAD: AVG 0.118144 MAX 0.206 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.281 MB LDB: TIME 13355.4 LOAD: AVG 0.118144 MAX 0.206 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.281 MB LDB: TIME 13355.4 LOAD: AVG 0.118144 MAX 0.206 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.281 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13355.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13355.4 PRESSURE: 4444400 92.4261 26.034 -84.8776 26.0332 191.67 -74.0146 -84.8763 -74.0118 159.256 GPRESSURE: 4444400 120.259 47.0437 -137.799 -3.11426 257.32 -78.6044 -69.8154 -120.735 175.982 PRESSAVG: 4444400 -45.7476 -6.42144 -48.2691 -6.42145 38.4944 -44.9025 -48.269 -44.9025 28.7545 GPRESSAVG: 4444400 -45.3284 -6.69703 -48.1621 -5.26754 38.0291 -48.1384 -51.2383 -43.1636 29.1918 TIMING: 4444400 CPU: 13352.2, 0.00306418/step Wall: 13352.2, 0.00306418/step, 0.472905 hours remaining, 209.234375 MB of memory in use. ENERGY: 4444400 717.9534 2067.5406 1928.0622 118.3715 -206712.1525 18238.0303 0.0000 0.0000 34168.3988 -149473.7956 298.4011 -183642.1944 -149371.7801 299.0455 147.7840 184.5201 558483.9230 7.1671 7.2975 PRESSURE: 4444600 -238.289 -114.935 -115.567 -114.934 -124.574 -2.80889 -115.566 -2.80911 0.78395 GPRESSURE: 4444600 -217.736 -130.586 -160.629 -145.241 -81.1166 -18.6629 -47.5607 40.0412 30.1828 PRESSAVG: 4444600 -6.09424 -40.7306 -18.0349 -40.7307 16.534 24.1891 -18.035 24.1891 44.0474 GPRESSAVG: 4444600 -6.76111 -39.4761 -18.6164 -41.7379 16.0912 25.5068 -16.7731 24.275 44.8653 TIMING: 4444600 CPU: 13352.8, 0.00299672/step Wall: 13352.8, 0.00299672/step, 0.462328 hours remaining, 209.476562 MB of memory in use. ENERGY: 4444600 710.9885 2093.0391 1914.8778 122.6272 -206583.8847 17873.6633 0.0000 0.0000 34382.2029 -149486.4857 300.2683 -183868.6887 -149385.5548 299.5065 -120.6931 -89.5567 558648.4025 18.1624 18.0651 PRESSURE: 4444800 -190.181 -104.607 -46.9757 -104.607 -17.1872 -34.7254 -46.9753 -34.7268 -88.1389 GPRESSURE: 4444800 -142.591 -116.648 -13.5709 -124.474 -10.9324 -56.9807 -22.5484 -65.2958 -58.2818 PRESSAVG: 4444800 -44.3347 19.886 -24.5817 19.8859 -19.2008 -6.46418 -24.5816 -6.46427 25.8111 GPRESSAVG: 4444800 -44.0083 19.045 -23.4372 18.7976 -19.2559 -6.27118 -24.8216 -5.61117 25.4518 TIMING: 4444800 CPU: 13353.4, 0.00301212/step Wall: 13353.4, 0.00301212/step, 0.464535 hours remaining, 209.476562 MB of memory in use. ENERGY: 4444800 753.5298 2097.1467 1925.4485 106.6786 -206040.8392 17701.8164 0.0000 0.0000 34187.0787 -149269.1405 298.5643 -183456.2192 -149173.5469 299.2695 -98.5024 -70.6017 560150.9178 -12.5748 -12.6041 PRESSURE: 4445000 -359.333 16.1496 132.712 16.1492 -298.418 12.8133 132.713 12.8124 -232.245 GPRESSURE: 4445000 -351.928 -67.5857 199.137 35.5665 -222.507 11.3797 97.7902 40.9169 -222.163 PRESSAVG: 4445000 -58.4202 -10.7101 -28.8278 -10.71 87.1004 30.5633 -28.8278 30.5632 -0.384332 GPRESSAVG: 4445000 -58.2502 -12.4204 -31.0943 -9.82021 86.841 32.4072 -27.5568 25.9053 -0.29326 TIMING: 4445000 CPU: 13354, 0.00296682/step Wall: 13354, 0.00296682/step, 0.457385 hours remaining, 209.476562 MB of memory in use. ENERGY: 4445000 736.4369 2099.9783 1952.0271 119.4068 -205617.9163 17306.6545 0.0000 0.0000 34051.0929 -149352.3198 297.3767 -183403.4127 -149247.9198 299.0243 -296.6657 -265.5325 559975.0962 9.4320 9.4325 PRESSURE: 4445200 159.681 66.0468 37.031 66.0464 128.977 -60.133 37.0298 -60.1338 73.1273 GPRESSURE: 4445200 191.478 6.15724 -25.6679 68.237 177.088 -22.3184 -29.8388 -128.71 84.8079 PRESSAVG: 4445200 -1.3869 49.3065 8.81169 49.3065 39.1288 12.8857 8.81165 12.8857 -71.3472 GPRESSAVG: 4445200 -1.07363 51.1425 12.462 48.7936 39.2793 10.1567 8.21075 15.4574 -71.6597 TIMING: 4445200 CPU: 13354.6, 0.00293876/step Wall: 13354.6, 0.00293876/step, 0.452896 hours remaining, 209.476562 MB of memory in use. ENERGY: 4445200 702.9710 2055.3469 1917.9153 115.1848 -205986.4548 17874.0753 0.0000 0.0000 34104.5860 -149216.3753 297.8438 -183320.9614 -149121.1328 299.2047 120.5951 151.1246 558887.1508 -11.2018 -11.1514 PRESSURE: 4445400 -152.564 165.554 -89.3304 165.553 -179.744 -25.6405 -89.3305 -25.6387 -222.49 GPRESSURE: 4445400 -150.735 289.232 -36.8448 126.1 -135.626 -40.0238 -102.29 21.7714 -166.913 PRESSAVG: 4445400 65.6547 27.6385 8.0732 27.6386 -2.60408 37.5056 8.07329 37.5056 -38.8067 GPRESSAVG: 4445400 65.9061 27.4154 6.42869 28.6955 -2.22734 38.7535 8.40298 38.2742 -39.4566 TIMING: 4445400 CPU: 13355.2, 0.00296432/step Wall: 13355.2, 0.00296432/step, 0.45667 hours remaining, 209.476562 MB of memory in use. ENERGY: 4445400 737.0437 2104.7670 1939.9605 111.4148 -205501.6291 17383.4151 0.0000 0.0000 34068.5269 -149156.5010 297.5289 -183225.0279 -149065.0242 299.3075 -184.9328 -151.0914 557596.8834 8.0813 8.0740 PRESSURE: 4445600 10.5691 61.2929 -22.0328 61.2923 56.9792 11.8607 -22.0341 11.8624 -144.351 GPRESSURE: 4445600 40.8769 123.975 -91.3098 7.94525 49.6304 34.0811 57.3103 -35.3105 -76.2659 PRESSAVG: 4445600 19.743 6.94673 18.5593 6.94659 95.9088 2.2763 18.5593 2.27633 -31.8027 GPRESSAVG: 4445600 19.4651 7.56895 18.144 5.66122 95.7339 2.12281 20.8134 3.87703 -31.2026 TIMING: 4445600 CPU: 13355.7, 0.00295677/step Wall: 13355.7, 0.00295677/step, 0.455343 hours remaining, 209.476562 MB of memory in use. ENERGY: 4445600 720.2777 2071.7568 1933.0484 92.3602 -206262.5521 17749.0777 0.0000 0.0000 34260.9448 -149435.0866 299.2094 -183696.0313 -149345.7809 299.0644 -25.6010 4.7471 557986.6374 27.9497 27.9988 PRESSURE: 4445800 -68.3117 54.7445 105.31 54.7453 -128.512 79.6463 105.31 79.6457 52.7762 GPRESSURE: 4445800 -44.7383 98.6287 120.765 24.8339 -65.4307 165.046 93.8521 58.5741 66.9719 PRESSAVG: 4445800 -8.99928 -30.5062 20.9378 -30.5061 47.2511 87.0695 20.9378 87.0694 30.7509 GPRESSAVG: 4445800 -9.96661 -29.7363 20.2425 -32.2413 47.1211 86.7278 18.2756 85.6279 31.2609 TIMING: 4445800 CPU: 13356.3, 0.00297474/step Wall: 13356.3, 0.00297474/step, 0.457944 hours remaining, 209.476562 MB of memory in use. ENERGY: 4445800 713.6268 2087.0706 1922.9443 111.9348 -206105.2753 17825.6141 0.0000 0.0000 34078.6879 -149365.3969 297.6177 -183444.0847 -149276.9429 298.5448 -48.0157 -14.3990 559856.2867 23.0009 22.8052 PRESSURE: 4446000 204.083 26.0445 115.474 26.0434 -75.8818 10.5772 115.475 10.5766 137.254 GPRESSURE: 4446000 230.055 61.0771 116.902 -22.3002 -41.1384 -28.0972 113.688 5.2515 175.687 PRESSAVG: 4446000 -25.3272 27.1293 56.9937 27.1293 -7.54841 52.9026 56.9936 52.9025 13.4368 GPRESSAVG: 4446000 -24.7525 27.2242 57.7656 27.9035 -7.91753 53.8977 57.8709 51.5489 13.3147 TIMING: 4446000 CPU: 13356.9, 0.00297517/step Wall: 13356.9, 0.00297517/step, 0.457846 hours remaining, 209.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4446000 734.7214 2115.9769 1913.1885 98.9754 -206426.8254 18020.6280 0.0000 0.0000 34207.5145 -149335.8207 298.7427 -183543.3352 -149242.4532 298.9920 88.4850 121.5345 557902.1761 -6.4796 -6.4518 PRESSURE: 4446200 156.674 -129.518 -46.5253 -129.519 83.6915 17.1585 -46.5272 17.1555 132.257 GPRESSURE: 4446200 155.166 -86.9354 53.3792 -193.319 106.525 42.3654 -47.4319 -22.6078 195.7 PRESSAVG: 4446200 11.7877 11.6738 30.7422 11.6737 -19.5759 42.7068 30.7422 42.7068 -21.1935 GPRESSAVG: 4446200 13.0942 11.7862 31.5032 10.3572 -19.9913 44.4828 30.5678 42.5095 -22.1115 TIMING: 4446200 CPU: 13357.5, 0.00297151/step Wall: 13357.5, 0.00297151/step, 0.457117 hours remaining, 209.535156 MB of memory in use. ENERGY: 4446200 784.2603 2071.1563 1937.0620 112.0889 -206480.2874 18146.7333 0.0000 0.0000 34233.3221 -149195.6644 298.9681 -183428.9865 -149097.5584 298.8483 124.2077 152.4633 557862.0787 -9.6606 -9.6695 PRESSURE: 4446400 63.6841 30.5583 -36.2572 30.5599 -44.997 -43.9429 -36.2551 -43.9424 14.2907 GPRESSURE: 4446400 100.13 72.658 -57.618 15.6949 -13.608 -71.1166 -47.4603 -3.4742 41.2923 PRESSAVG: 4446400 20.6541 50.9155 -30.1311 50.9155 27.5465 5.03076 -30.1312 5.03074 -12.8306 GPRESSAVG: 4446400 19.8363 50.5444 -32.3206 52.3182 26.9297 4.01617 -28.704 6.24336 -10.9678 TIMING: 4446400 CPU: 13358.1, 0.00299488/step Wall: 13358.1, 0.00299488/step, 0.460545 hours remaining, 209.535156 MB of memory in use. ENERGY: 4446400 725.1875 2091.0292 1945.2514 106.9209 -206590.7301 17959.9625 0.0000 0.0000 34578.6673 -149183.7112 301.9841 -183762.3785 -149089.4243 299.5937 10.9926 42.6049 558462.2748 11.7900 11.9327 PRESSURE: 4446600 363.752 0.905703 89.4745 0.906085 99.0281 33.8036 89.4748 33.8048 -125.858 GPRESSURE: 4446600 398.583 20.2383 38.2133 -46.3551 119.928 -43.845 167.598 19.885 -86.883 PRESSAVG: 4446600 45.2156 34.2486 -22.1733 34.2486 -13.4698 16.1584 -22.1732 16.1585 -2.11317 GPRESSAVG: 4446600 45.1782 32.5009 -21.9854 37.1437 -12.8641 14.9724 -22.842 16.2223 -2.63081 TIMING: 4446600 CPU: 13358.7, 0.00297729/step Wall: 13358.7, 0.00297729/step, 0.457676 hours remaining, 209.535156 MB of memory in use. ENERGY: 4446600 751.0499 2049.1786 1938.5716 106.8233 -206508.0770 18087.4215 0.0000 0.0000 34381.7285 -149193.3036 300.2642 -183575.0320 -149104.0784 299.4869 112.3074 143.8759 558485.9300 9.8775 9.8944 PRESSURE: 4446800 166.397 -182.867 -117.866 -182.867 -39.3554 -18.1558 -117.867 -18.156 -21.0528 GPRESSURE: 4446800 190.728 -121.334 -156.562 -189.291 69.2818 58.1649 -92.9379 0.53064 -55.4407 PRESSAVG: 4446800 -12.8718 -5.82982 3.57207 -5.82987 10.504 39.2954 3.5721 39.2955 -28.9004 GPRESSAVG: 4446800 -12.4023 -4.89429 4.48849 -8.4105 10.1337 39.8768 4.53537 40.3244 -29.0933 TIMING: 4446800 CPU: 13359.3, 0.00297541/step Wall: 13359.3, 0.00297541/step, 0.457222 hours remaining, 209.535156 MB of memory in use. ENERGY: 4446800 703.8116 2094.4809 1971.6208 122.2473 -206206.0967 17858.6431 0.0000 0.0000 34207.7224 -149247.5705 298.7445 -183455.2930 -149148.9217 299.2993 35.3297 68.1897 558452.2688 -10.4227 -10.4539 PRESSURE: 4447000 -233.521 -45.3424 -17.3648 -45.3427 -408.561 -25.7349 -17.3641 -25.7346 -105.349 GPRESSURE: 4447000 -175.968 -11.6142 -5.23436 -183.784 -436.106 20.2756 -90.4577 -123.817 -38.3397 PRESSAVG: 4447000 19.3728 4.37281 -17.3997 4.37292 26.5487 10.6885 -17.3997 10.6886 -22.3951 GPRESSAVG: 4447000 19.1713 4.88646 -17.1904 4.51649 27.2749 10.4161 -16.9321 8.92365 -22.6518 TIMING: 4447000 CPU: 13359.9, 0.00300227/step Wall: 13359.9, 0.00300227/step, 0.461182 hours remaining, 209.535156 MB of memory in use. ENERGY: 4447000 751.5360 2138.4037 1936.8825 114.4256 -205841.6074 17432.7136 0.0000 0.0000 34119.6955 -149347.9504 297.9758 -183467.6459 -149250.4064 299.2595 -249.1436 -216.8044 558821.1520 7.8421 7.9315 PRESSURE: 4447200 -85.0352 17.4641 -184.249 17.4643 239.943 15.1103 -184.25 15.1092 -37.7812 GPRESSURE: 4447200 -45.953 86.0462 -272.48 35.4018 237.577 57.3337 -111.593 -171.416 30.3455 PRESSAVG: 4447200 -57.1128 -18.2768 -12.5601 -18.2767 86.1698 41.6993 -12.5602 41.6995 7.16737 GPRESSAVG: 4447200 -57.3191 -17.7303 -10.8705 -18.7934 84.7898 40.3827 -14.9322 41.5274 8.60396 TIMING: 4447200 CPU: 13360.5, 0.00298298/step Wall: 13360.5, 0.00298298/step, 0.458053 hours remaining, 209.535156 MB of memory in use. ENERGY: 4447200 738.5726 2078.3077 1963.2058 110.0954 -206369.6290 17916.6365 0.0000 0.0000 34345.9493 -149216.8616 299.9517 -183562.8109 -149116.3118 299.0832 39.0422 73.9898 557226.6776 12.0748 12.0249 PRESSURE: 4447400 73.8073 -17.5304 -56.1629 -17.5306 -74.8164 -2.23576 -56.1636 -2.23605 19.0069 GPRESSURE: 4447400 114.539 -14.2267 -79.0845 33.613 -76.9336 14.7537 -54.4164 15.7534 86.2417 PRESSAVG: 4447400 -82.5942 -35.8466 -31.1843 -35.8467 34.8865 18.9695 -31.1842 18.9695 47.2633 GPRESSAVG: 4447400 -81.6204 -37.5765 -32.6409 -33.2855 34.7187 19.8028 -29.8227 19.1007 46.7844 TIMING: 4447400 CPU: 13361.1, 0.00298118/step Wall: 13361.1, 0.00298118/step, 0.457611 hours remaining, 209.535156 MB of memory in use. ENERGY: 4447400 746.9856 2136.5725 1936.1585 108.2910 -206130.2690 17784.4640 0.0000 0.0000 34247.9653 -149169.8322 299.0960 -183417.7975 -149068.1219 298.9945 5.9993 41.2825 557564.8532 -0.1481 -0.0391 PRESSURE: 4447600 -104.229 98.0685 11.0786 98.0689 56.42 -101.384 11.0775 -101.385 -77.807 GPRESSURE: 4447600 -29.1521 56.0724 39.1559 20.1856 40.0461 -21.6314 -17.724 -98.337 -31.0246 PRESSAVG: 4447600 29.2785 22.3598 -3.92805 22.3599 -63.9565 7.94654 -3.92796 7.94672 33.2519 GPRESSAVG: 4447600 28.7773 24.1855 -1.8085 18.6727 -63.0329 9.90617 -6.3254 8.20501 32.8849 TIMING: 4447600 CPU: 13361.7, 0.00298718/step Wall: 13361.7, 0.00298718/step, 0.458366 hours remaining, 209.535156 MB of memory in use. ENERGY: 4447600 779.4522 2099.2504 1926.4027 98.1961 -206221.1293 17751.6289 0.0000 0.0000 34413.4274 -149152.7717 300.5410 -183566.1990 -149053.8362 299.9155 -41.8722 -6.7102 555668.2990 -0.4754 -0.4569 PRESSURE: 4447800 -189.734 40.1463 1.38386 40.1471 37.9426 8.47662 1.38321 8.47553 194.132 GPRESSURE: 4447800 -157.724 26.5335 32.8712 35.9812 95.0118 44.027 -89.227 -106.995 191.409 PRESSAVG: 4447800 -43.3896 -28.2823 1.14994 -28.2822 10.9556 -30.0973 1.14992 -30.0973 74.1196 GPRESSAVG: 4447800 -43.9115 -28.1919 -2.30711 -26.3025 11.1345 -31.9315 4.35779 -30.3354 73.8317 TIMING: 4447800 CPU: 13362.3, 0.00295739/step Wall: 13362.3, 0.00295739/step, 0.453631 hours remaining, 209.535156 MB of memory in use. ENERGY: 4447800 742.5735 2094.5315 1920.4635 109.8594 -205873.6433 17684.7347 0.0000 0.0000 34356.5779 -148964.9027 300.0445 -183321.4806 -148875.2039 299.8100 14.1133 42.8988 557576.3776 13.8952 13.6849 PRESSURE: 4448000 -168.384 53.6167 -44.8235 53.6152 -74.8564 -72.6354 -44.8237 -72.6334 62.9631 GPRESSURE: 4448000 -136.54 131.455 46.8872 28.9493 -79.0839 -6.28311 -41.1246 -170.242 132.357 PRESSAVG: 4448000 -43.4548 12.3227 14.3118 12.3227 -4.12962 -38.6174 14.3118 -38.6174 83.4168 GPRESSAVG: 4448000 -43.7449 10.6274 15.0825 12.7487 -4.35643 -38.7803 14.4688 -37.7883 84.1688 TIMING: 4448000 CPU: 13362.9, 0.00298803/step Wall: 13362.9, 0.00298803/step, 0.458165 hours remaining, 209.535156 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: 4448000 760.4891 2034.2364 1961.8806 113.8928 -205846.1218 17721.5056 0.0000 0.0000 34504.0646 -148750.0528 301.3326 -183254.1174 -148655.4670 300.9810 -60.0926 -27.7558 557942.3395 11.9441 12.0225 PRESSURE: 4448200 -203.47 -27.7889 -76.1147 -27.7897 -11.9936 163.319 -76.1141 163.32 -11.2431 GPRESSURE: 4448200 -170.378 -37.7085 -18.4641 -42.8747 47.4517 127.594 -64.228 201.276 -5.34255 PRESSAVG: 4448200 -23.0171 39.4278 -28.2235 39.4277 -50.7408 30.923 -28.2235 30.923 64.6637 GPRESSAVG: 4448200 -23.1648 40.8713 -26.1847 37.9637 -50.2938 31.2957 -30.8807 32.0244 64.6171 TIMING: 4448200 CPU: 13363.5, 0.00300638/step Wall: 13363.5, 0.00300638/step, 0.460812 hours remaining, 209.535156 MB of memory in use. ENERGY: 4448200 765.8270 2077.2572 1934.5995 112.4850 -205310.4563 17466.0073 0.0000 0.0000 34143.9335 -148810.3469 298.1875 -182954.2803 -148714.6981 300.6812 -75.5687 -42.7564 558621.3672 -3.0314 -2.9472 LDB: ============= START OF LOAD BALANCING ============== 13367 LDB: ============== END OF LOAD BALANCING =============== 13367 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13367 LDB: ============= START OF LOAD BALANCING ============== 13367.3 LDB: Largest compute 4773 load 0.027894 is 23.6% of average load 0.118139 LDB: Average compute 0.001734 is 1.5% of average load 0.118139 LDB: TIME 13367.3 LOAD: AVG 0.118139 MAX 0.206317 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.52 MB LDB: TIME 13367.3 LOAD: AVG 0.118139 MAX 0.206317 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.723 MB LDB: TIME 13367.3 LOAD: AVG 0.118139 MAX 0.206317 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.723 MB LDB: ============== END OF LOAD BALANCING =============== 13367.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13367.3 PRESSURE: 4448400 -277.353 38.1831 -66.5174 38.183 -195.073 106.15 -66.5175 106.151 214.125 GPRESSURE: 4448400 -224.21 -1.74828 -105.773 -3.65816 -169.399 91.9251 -40.367 27.6383 231.331 PRESSAVG: 4448400 -2.54267 -43.4975 -21.4241 -43.4975 -0.428329 46.96 -21.4241 46.96 46.6916 GPRESSAVG: 4448400 -2.78923 -44.2266 -22.9411 -41.5981 -0.0767317 48.1932 -18.4824 46.8495 46.5381 TIMING: 4448400 CPU: 13364.1, 0.00304537/step Wall: 13364.1, 0.00304537/step, 0.466618 hours remaining, 210.257812 MB of memory in use. ENERGY: 4448400 728.9255 2064.8468 1932.1915 106.5145 -205786.4188 17541.3617 0.0000 0.0000 34352.0848 -149060.4939 300.0053 -183412.5788 -148956.3462 300.4298 -86.1005 -54.0926 558445.3837 14.5735 14.5574 PRESSURE: 4448600 -38.7659 5.88774 -4.61895 5.88756 -51.2453 116.968 -4.61976 116.967 157.825 GPRESSURE: 4448600 -10.8717 35.867 -89.9532 58.1628 -7.64201 150.408 -33.9339 130.026 190.088 PRESSAVG: 4448600 -38.3575 -3.35771 8.37718 -3.35775 -0.522008 -0.314396 8.37718 -0.314461 18.8413 GPRESSAVG: 4448600 -37.5002 -1.26946 8.42383 -2.89223 -0.744252 -1.39093 6.9551 -0.960408 18.0648 TIMING: 4448600 CPU: 13364.7, 0.00299243/step Wall: 13364.7, 0.00299243/step, 0.458341 hours remaining, 210.460938 MB of memory in use. ENERGY: 4448600 740.1122 2050.4278 1949.7853 124.0627 -205983.5244 17607.7054 0.0000 0.0000 34353.3523 -149158.0787 300.0164 -183511.4310 -149068.0132 299.7319 22.6046 57.1915 556655.3829 -6.6794 -6.7265 PRESSURE: 4448800 -121.667 -19.8413 -51.2221 -19.8392 153.755 15.2652 -51.2219 15.2657 -265.136 GPRESSURE: 4448800 -127.089 1.81091 -94.2401 -86.7847 195.646 55.2263 -17.079 -6.45952 -207.606 PRESSAVG: 4448800 58.4004 -68.0164 5.22369 -68.0164 -41.7618 31.5268 5.2237 31.5268 -27.9253 GPRESSAVG: 4448800 57.7207 -69.1477 5.18536 -70.1322 -42.4342 31.7965 5.27198 31.8578 -27.3139 TIMING: 4448800 CPU: 13365.3, 0.00300338/step Wall: 13365.3, 0.00300338/step, 0.459851 hours remaining, 210.460938 MB of memory in use. ENERGY: 4448800 763.9163 2099.2890 1920.2341 107.8645 -206076.2533 17682.8200 0.0000 0.0000 34220.4342 -149281.6951 298.8556 -183502.1293 -149189.4766 299.5459 -77.6823 -46.3496 556676.9562 -3.7622 -4.0091 PRESSURE: 4449000 -149.729 10.7635 91.5679 10.7629 -245.247 60.0465 91.5685 60.0454 -230.057 GPRESSURE: 4449000 -144.276 -9.72581 86.1642 44.8795 -179.218 109.46 48.0193 65.0675 -212.378 PRESSAVG: 4449000 18.2062 -9.61258 21.6527 -9.61255 16.8394 -16.1457 21.6527 -16.1457 -8.74439 GPRESSAVG: 4449000 18.6469 -8.50458 22.5787 -7.89596 16.7366 -15.7294 21.8574 -17.3939 -8.7211 TIMING: 4449000 CPU: 13365.9, 0.00296027/step Wall: 13365.9, 0.00296027/step, 0.453086 hours remaining, 210.460938 MB of memory in use. ENERGY: 4449000 766.0715 2055.6320 1918.6784 115.9079 -206085.4378 17642.0398 0.0000 0.0000 34168.4046 -149418.7035 298.4012 -183587.1081 -149315.6082 299.2313 -208.3445 -178.6240 557788.6397 8.7671 8.8875 PRESSURE: 4449200 -129.544 -187.585 69.1874 -187.585 -291.949 168.378 69.1875 168.378 -135.011 GPRESSURE: 4449200 -115.714 -216.452 164.433 -110.041 -270.598 166.114 -24.1684 126.349 -69.4837 PRESSAVG: 4449200 41.5525 -24.8107 -26.8057 -24.8108 -78.9004 45.976 -26.8057 45.9759 49.345 GPRESSAVG: 4449200 40.6792 -25.8793 -27.29 -23.9034 -77.4939 48.4822 -27.3736 44.8821 49.3422 TIMING: 4449200 CPU: 13366.5, 0.0029868/step Wall: 13366.5, 0.0029868/step, 0.45698 hours remaining, 210.460938 MB of memory in use. ENERGY: 4449200 775.1902 2029.0948 1940.2158 106.8865 -206072.6213 17499.0278 0.0000 0.0000 34346.6829 -149375.5233 299.9581 -183722.2062 -149281.6194 298.8097 -185.5014 -151.9318 557082.1218 3.9990 4.1758 PRESSURE: 4449400 63.0015 29.5346 -164.285 29.5356 111.123 -52.7176 -164.284 -52.7159 82.9433 GPRESSURE: 4449400 49.5517 99.5697 -134.078 52.9345 123.112 -68.8342 -226.468 59.567 188.083 PRESSAVG: 4449400 39.1066 -19.6693 17.8592 -19.6692 -28.5696 -13.0867 17.8591 -13.0866 -24.8953 GPRESSAVG: 4449400 39.9252 -17.7859 17.7497 -21.3701 -30.3716 -15.95 17.4126 -9.80247 -23.8799 TIMING: 4449400 CPU: 13367.1, 0.00299673/step Wall: 13367.1, 0.00299673/step, 0.458332 hours remaining, 210.460938 MB of memory in use. ENERGY: 4449400 739.8872 2096.8666 1942.2888 112.0655 -206657.8815 17878.1186 0.0000 0.0000 34211.6983 -149676.9563 298.7793 -183888.6547 -149574.0100 298.3208 85.6892 120.2490 555505.1850 -4.7861 -4.7754 PRESSURE: 4449600 -213.187 43.2936 -50.7452 43.2935 95.136 51.3967 -50.7441 51.3972 -111.131 GPRESSURE: 4449600 -117.624 117.966 -86.6603 50.5961 63.8466 126.427 21.136 2.99744 -70.2895 PRESSAVG: 4449600 -18.8241 31.1127 -61.0456 31.1127 -16.5991 -6.11291 -61.0456 -6.11299 45.4394 GPRESSAVG: 4449600 -19.7835 27.5004 -63.0202 32.5242 -15.0416 -7.32852 -59.666 -8.4368 45.2906 TIMING: 4449600 CPU: 13367.7, 0.0029946/step Wall: 13367.7, 0.0029946/step, 0.457842 hours remaining, 210.664062 MB of memory in use. ENERGY: 4449600 727.2915 2043.1437 1902.9676 114.3385 -206690.3672 17882.9227 0.0000 0.0000 34216.4842 -149803.2190 298.8211 -184019.7032 -149704.6975 297.4526 -76.3940 -41.3556 558006.5509 3.3387 3.4885 PRESSURE: 4449800 -14.2262 17.2232 65.9105 17.2236 20.6807 -0.198005 65.91 -0.198784 -94.7296 GPRESSURE: 4449800 1.86439 23.9047 41.7731 95.6576 60.1729 -35.3396 116.528 15.5684 -57.1505 PRESSAVG: 4449800 -44.5665 35.6176 0.821998 35.6176 42.3622 10.1055 0.822034 10.1054 -0.345731 GPRESSAVG: 4449800 -43.9133 38.6909 2.16514 35.2816 42.9355 10.792 0.207396 11.9578 -1.42436 TIMING: 4449800 CPU: 13368.3, 0.002989/step Wall: 13368.3, 0.002989/step, 0.456819 hours remaining, 210.664062 MB of memory in use. ENERGY: 4449800 726.1644 2119.4158 1917.3787 119.5797 -206404.2651 17929.4983 0.0000 0.0000 33809.0902 -149783.1379 295.2632 -183592.2281 -149684.4881 297.6565 -29.4250 1.6289 558371.4037 -0.8500 -0.8007 PRESSURE: 4450000 -244.761 35.1163 -46.353 35.1169 -147.226 -108.275 -46.3535 -108.276 113.413 GPRESSURE: 4450000 -195.847 -1.42602 -33.9624 53.1886 -92.0259 -114.142 27.5389 -141.925 96.9774 PRESSAVG: 4450000 -45.4007 24.7716 -39.4101 24.7715 -9.71802 -19.744 -39.41 -19.744 21.7429 GPRESSAVG: 4450000 -46.186 23.2459 -41.2402 25.1055 -9.60102 -17.5778 -39.8865 -21.0787 21.7757 TIMING: 4450000 CPU: 13368.9, 0.00297053/step Wall: 13368.9, 0.00297053/step, 0.453831 hours remaining, 210.664062 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: 4450000 726.7484 2100.2204 1910.5407 117.2737 -206820.5526 17847.2009 0.0000 0.0000 34310.5220 -149808.0466 299.6423 -184118.5686 -149708.7021 298.4560 -92.8581 -63.6319 558055.9308 -11.1253 -11.3371 PRESSURE: 4450200 68.37 115.238 51.9473 115.238 26.0957 194.305 51.9473 194.305 298.342 GPRESSURE: 4450200 136.853 83.6864 31.3086 152.367 27.9742 184.068 50.3801 207.54 322.48 PRESSAVG: 4450200 -13.2466 86.9282 -24.3692 86.9281 66.329 34.1758 -24.3692 34.1759 28.5375 GPRESSAVG: 4450200 -12.086 85.4175 -24.0544 86.9643 65.4236 33.2781 -24.3807 35.1587 27.8695 TIMING: 4450200 CPU: 13369.5, 0.00300566/step Wall: 13369.5, 0.00300566/step, 0.459032 hours remaining, 210.664062 MB of memory in use. ENERGY: 4450200 795.7558 2144.6253 1924.2617 99.3122 -206812.9323 18234.3781 0.0000 0.0000 33911.8439 -149702.7553 296.1606 -183614.5992 -149609.7703 297.7607 130.9358 162.4357 556422.9873 27.2066 27.0690 PRESSURE: 4450400 -177.414 -85.5659 -75.4781 -85.5667 -216.753 51.8146 -75.4783 51.8121 -227.544 GPRESSURE: 4450400 -157.723 -50.8238 -21.9744 -77.806 -167.61 15.5261 -20.6161 95.0925 -198.776 PRESSAVG: 4450400 -4.16601 52.2339 -4.3096 52.234 -13.9775 -12.8214 -4.30971 -12.8213 27.9077 GPRESSAVG: 4450400 -5.53496 51.9775 -4.34084 52.4911 -13.9038 -11.031 -3.19314 -13.0594 29.6621 TIMING: 4450400 CPU: 13370.1, 0.00298347/step Wall: 13370.1, 0.00298347/step, 0.455477 hours remaining, 210.664062 MB of memory in use. ENERGY: 4450400 809.5602 2041.3086 1921.0457 126.7444 -206534.6182 17856.0020 0.0000 0.0000 34216.7538 -149563.2034 298.8234 -183779.9573 -149465.7169 298.2548 -207.2372 -174.7029 557105.5422 3.2547 3.4078 PRESSURE: 4450600 -275.73 12.3794 -50.4488 12.3795 -191.982 -61.8474 -50.4492 -61.8454 89.6603 GPRESSURE: 4450600 -273.432 53.0412 -75.8942 -42.8455 -103.899 -33.1434 -95.2126 -96.0882 95.3915 PRESSAVG: 4450600 17.0748 -16.5397 -39.0995 -16.5396 -14.9548 -10.387 -39.0994 -10.3869 6.5829 GPRESSAVG: 4450600 16.3896 -15.7351 -39.2415 -17.2757 -14.3923 -13.2789 -40.9474 -11.0187 6.76587 TIMING: 4450600 CPU: 13370.7, 0.00296543/step Wall: 13370.7, 0.00296543/step, 0.452558 hours remaining, 210.664062 MB of memory in use. ENERGY: 4450600 736.5432 2127.3996 1933.9588 115.0531 -206708.8126 17752.5777 0.0000 0.0000 34348.5957 -149694.6845 299.9748 -184043.2803 -149596.2939 298.6176 -126.0172 -93.9798 557374.9776 2.9010 2.9210 PRESSURE: 4450800 24.0695 16.4117 87.1735 16.4118 9.73567 -61.9434 87.1753 -61.9424 236.181 GPRESSURE: 4450800 90.9403 78.6337 112.622 22.5129 -0.311922 -78.4146 26.2019 -120.153 292.567 PRESSAVG: 4450800 4.02784 5.94965 23.0766 5.94971 31.4605 -78.7133 23.0766 -78.7132 -25.269 GPRESSAVG: 4450800 5.57591 6.43479 23.1238 5.7682 30.9543 -77.1243 23.6887 -77.3972 -25.7987 TIMING: 4450800 CPU: 13371.3, 0.00299321/step Wall: 13371.3, 0.00299321/step, 0.456631 hours remaining, 210.664062 MB of memory in use. ENERGY: 4450800 691.4028 2099.7155 1917.8225 126.8951 -206403.7592 17943.5181 0.0000 0.0000 33908.5663 -149715.8387 296.1319 -183624.4051 -149624.1882 298.2441 89.9953 127.7318 558146.8362 3.4065 3.5772 PRESSURE: 4451000 200.17 -42.409 -106.214 -42.4069 81.4701 65.7614 -106.213 65.7604 -117.007 GPRESSURE: 4451000 217.061 -104.166 -30.8732 21.4969 158.643 64.8628 -23.0896 48.2978 -120.925 PRESSAVG: 4451000 49.1614 -23.1838 30.9826 -23.1837 -18.8245 -24.1721 30.9826 -24.1721 -42.574 GPRESSAVG: 4451000 49.7309 -25.1387 33.3117 -22.5101 -18.4273 -25.8357 29.7923 -23.7111 -43.363 TIMING: 4451000 CPU: 13371.9, 0.00299355/step Wall: 13371.9, 0.00299355/step, 0.456517 hours remaining, 210.664062 MB of memory in use. ENERGY: 4451000 747.5097 2105.9722 1941.3031 109.7451 -206672.9429 18026.9183 0.0000 0.0000 34144.9698 -149596.5246 298.1965 -183741.4945 -149504.3106 298.7006 54.8779 84.9267 558188.7297 -4.0790 -4.0198 PRESSURE: 4451200 192.117 86.3024 -39.4155 86.3031 -302.932 -8.57649 -39.4157 -8.57689 17.5982 GPRESSURE: 4451200 222.836 60.5595 -30.7458 77.7384 -324.241 7.67376 -35.3815 -78.4139 98.3341 PRESSAVG: 4451200 60.1852 -39.6716 2.67705 -39.6717 -14.2095 20.5951 2.67698 20.5951 -31.098 GPRESSAVG: 4451200 58.9202 -39.0684 2.40028 -39.5777 -13.2541 19.2059 3.06079 21.8449 -30.5745 TIMING: 4451200 CPU: 13372.5, 0.0029666/step Wall: 13372.5, 0.0029666/step, 0.452241 hours remaining, 210.664062 MB of memory in use. ENERGY: 4451200 802.3968 2110.1132 1901.0671 111.0684 -206871.0547 18104.0673 0.0000 0.0000 34291.1094 -149551.2325 299.4728 -183842.3419 -149448.1717 297.9824 -31.0723 -1.0238 558098.8172 4.9592 5.0305 PRESSURE: 4451400 450.513 196.551 -89.2308 196.55 175.648 20.6906 -89.2307 20.689 -84.7996 GPRESSURE: 4451400 421.497 318.591 -91.4032 61.0988 208.081 25.914 -57.7215 95.0023 8.54096 PRESSAVG: 4451400 25.4607 -28.2619 -6.90403 -28.262 -19.6464 -4.11663 -6.90408 -4.11659 11.7989 GPRESSAVG: 4451400 25.4628 -27.6032 -8.74039 -30.2407 -19.994 -1.62239 -5.05212 -6.84834 12.4747 TIMING: 4451400 CPU: 13373.1, 0.00297959/step Wall: 13373.1, 0.00297959/step, 0.454056 hours remaining, 210.664062 MB of memory in use. ENERGY: 4451400 774.9748 2090.4999 1934.6105 113.9339 -207122.7345 18299.5652 0.0000 0.0000 34277.0406 -149632.1096 299.3499 -183909.1502 -149533.8342 298.2722 180.4540 212.7062 555219.6541 5.8711 5.9811 PRESSURE: 4451600 37.8665 282.116 90.5535 282.115 90.6236 -138.529 90.5538 -138.529 338.073 GPRESSURE: 4451600 80.1017 388.052 34.9893 211.712 89.2461 -122.699 134.359 -79.3023 399.598 PRESSAVG: 4451600 55.7951 33.6636 21.3988 33.6637 -33.6286 -23.8427 21.3989 -23.8428 18.517 GPRESSAVG: 4451600 57.7414 32.095 24.0705 35.914 -34.2452 -24.038 17.2563 -23.5506 17.5748 TIMING: 4451600 CPU: 13373.7, 0.00296764/step Wall: 13373.7, 0.00296764/step, 0.45207 hours remaining, 210.664062 MB of memory in use. ENERGY: 4451600 749.7770 2090.6328 1929.7002 103.8619 -206663.0894 18024.7874 0.0000 0.0000 34118.7681 -149645.5619 297.9677 -183764.3300 -149551.9238 298.1910 155.5211 189.6484 556468.1616 13.5612 13.6904 PRESSURE: 4451800 -66.4218 -0.601298 -235.053 -0.600268 -406.035 -12.6339 -235.054 -12.6339 -111.776 GPRESSURE: 4451800 -36.747 -5.15171 -181.372 47.2786 -271.629 56.1204 -223.94 -64.4415 -177.85 PRESSAVG: 4451800 0.161583 44.618 -37.8296 44.6179 -37.6314 -7.78985 -37.8296 -7.78984 55.6804 GPRESSAVG: 4451800 -0.983472 45.961 -38.8087 44.5745 -36.4687 -9.10403 -34.9367 -5.86949 55.0017 TIMING: 4451800 CPU: 13374.2, 0.00294237/step Wall: 13374.2, 0.00294237/step, 0.448058 hours remaining, 210.664062 MB of memory in use. ENERGY: 4451800 753.6646 2067.1871 1929.8663 113.4154 -206537.0037 17726.8334 0.0000 0.0000 34137.6844 -149808.3526 298.1329 -183946.0370 -149710.0648 297.8611 -194.7445 -162.0755 555019.3378 6.0702 5.8498 PRESSURE: 4452000 -106.064 115.588 -97.6682 115.588 -130.373 -144.26 -97.6671 -144.261 43.2551 GPRESSURE: 4452000 -85.1052 71.5816 -54.3509 112.266 -103.738 -119.545 -128.584 -143.386 106.064 PRESSAVG: 4452000 8.74393 -31.6019 -26.8094 -31.6019 21.6793 -34.5149 -26.8094 -34.5148 -37.2006 GPRESSAVG: 4452000 8.79472 -32.1886 -30.1788 -31.4588 21.1741 -34.4586 -25.6202 -35.001 -37.2815 TIMING: 4452000 CPU: 13374.8, 0.00296494/step Wall: 13374.8, 0.00296494/step, 0.451329 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: 4452000 712.5899 2028.9789 1933.1391 103.6616 -206736.1941 17846.0450 0.0000 0.0000 34426.7935 -149684.9860 300.6578 -184111.7795 -149583.5385 298.5039 -64.3937 -27.5932 556887.4481 -2.2591 -2.4376 PRESSURE: 4452200 -90.7903 -5.42712 64.8414 -5.4267 -195.017 54.7392 64.8413 54.7388 27.7373 GPRESSURE: 4452200 -41.7149 -48.2567 5.20463 31.8612 -159.209 -27.7695 112.014 23.4363 37.3308 PRESSAVG: 4452200 -3.05949 28.4901 -11.6901 28.4902 -75.6668 -29.5449 -11.6901 -29.5448 44.7601 GPRESSAVG: 4452200 -3.63079 29.7722 -9.18391 28.8578 -76.6635 -27.953 -12.2765 -29.6034 45.9514 TIMING: 4452200 CPU: 13375.4, 0.00294546/step Wall: 13375.4, 0.00294546/step, 0.448201 hours remaining, 210.867188 MB of memory in use. ENERGY: 4452200 742.8195 2068.3940 1923.6881 103.0944 -206517.0773 17875.7585 0.0000 0.0000 34156.2092 -149647.1138 298.2947 -183803.3230 -149549.6889 298.1735 -86.0233 -54.5310 557868.3662 -11.3221 -11.4476 LDB: ============= START OF LOAD BALANCING ============== 13378.9 LDB: ============== END OF LOAD BALANCING =============== 13378.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13378.9 LDB: ============= START OF LOAD BALANCING ============== 13379.2 LDB: Largest compute 4773 load 0.027192 is 23.0% of average load 0.118134 LDB: Average compute 0.001732 is 1.5% of average load 0.118134 LDB: TIME 13379.2 LOAD: AVG 0.118134 MAX 0.20691 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.465 MB LDB: TIME 13379.2 LOAD: AVG 0.118134 MAX 0.20691 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.465 MB LDB: TIME 13379.2 LOAD: AVG 0.118134 MAX 0.20691 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.465 MB LDB: ============== END OF LOAD BALANCING =============== 13379.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13379.3 PRESSURE: 4452400 432.192 -157.384 -99.6843 -157.382 58.999 -220.446 -99.6846 -220.447 232.754 GPRESSURE: 4452400 432.252 -231.058 -88.1801 -51.0986 118.865 -208.249 -112.267 -260.841 268.897 PRESSAVG: 4452400 19.4183 -29.9173 28.3844 -29.9173 -76.1924 -63.1724 28.3843 -63.1724 45.4137 GPRESSAVG: 4452400 19.1429 -30.6554 27.7453 -29.7756 -75.2678 -62.5486 29.9794 -64.3846 44.4846 TIMING: 4452400 CPU: 13376, 0.00303704/step Wall: 13376, 0.00303704/step, 0.461968 hours remaining, 209.203125 MB of memory in use. ENERGY: 4452400 696.6557 2072.6744 1959.0297 118.9896 -206635.4212 18065.9920 0.0000 0.0000 34122.8509 -149599.2289 298.0033 -183722.0798 -149507.5735 298.6717 241.3153 273.3380 555558.2753 -3.7868 -3.8801 PRESSURE: 4452600 -110.023 -43.2547 -39.6923 -43.2548 269.539 22.1129 -39.6924 22.1113 157.64 GPRESSURE: 4452600 -3.85722 -34.3407 -1.01231 -11.2447 228.534 20.5488 42.1207 21.6926 199.026 PRESSAVG: 4452600 -18.1936 5.3397 -22.56 5.33975 -0.890851 -74.934 -22.56 -74.934 28.7307 GPRESSAVG: 4452600 -17.6178 4.3103 -21.1951 6.31715 -0.980038 -78.8395 -23.3895 -72.9781 28.3442 TIMING: 4452600 CPU: 13376.6, 0.00297633/step Wall: 13376.6, 0.00297633/step, 0.452568 hours remaining, 209.531250 MB of memory in use. ENERGY: 4452600 722.7422 2056.4434 1939.9226 98.5969 -206643.3765 18104.5906 0.0000 0.0000 34110.5735 -149610.5075 297.8961 -183721.0810 -149524.4136 297.3800 105.7188 141.2341 556938.1882 3.2154 3.2488 PRESSURE: 4452800 -97.3086 181.464 35.576 181.464 230.685 -57.6349 35.5767 -57.6344 247.251 GPRESSURE: 4452800 -74.8609 160.218 -39.9402 191.847 254.087 23.6364 0.462818 -56.475 301.607 PRESSAVG: 4452800 -57.0305 7.7533 4.96874 7.75338 64.1969 24.1593 4.96867 24.1593 -0.526468 GPRESSAVG: 4452800 -57.0121 8.58172 5.04421 5.91806 62.9463 27.2294 2.21717 22.4721 0.47705 TIMING: 4452800 CPU: 13377.2, 0.0029415/step Wall: 13377.2, 0.0029415/step, 0.447108 hours remaining, 209.531250 MB of memory in use. ENERGY: 4452800 711.7857 2071.8484 1912.2574 105.3993 -206486.6191 17826.3820 0.0000 0.0000 34044.1041 -149814.8423 297.3156 -183858.9463 -149723.7814 297.4899 126.8758 160.2778 555800.9232 2.2133 2.1371 PRESSURE: 4453000 78.0096 53.9766 -74.0574 53.9771 45.41 32.6209 -74.058 32.6206 -57.8837 GPRESSURE: 4453000 128.695 63.664 -11.3746 12.2611 110.362 23.2239 -43.7556 26.1823 -76.5855 PRESSAVG: 4453000 2.56979 -26.1885 -59.6581 -26.1885 35.7438 22.9233 -59.6582 22.9233 -11.8577 GPRESSAVG: 4453000 2.14848 -29.128 -61.3786 -25.0975 35.7862 20.4083 -55.7697 24.0803 -11.6514 TIMING: 4453000 CPU: 13377.8, 0.00298814/step Wall: 13377.8, 0.00298814/step, 0.454031 hours remaining, 209.601562 MB of memory in use. ENERGY: 4453000 688.0357 2065.6108 1937.7104 108.1739 -206404.3348 17731.9730 0.0000 0.0000 34290.7371 -149582.0939 299.4695 -183872.8310 -149478.9690 297.6058 21.8453 54.1573 557287.1536 8.8186 8.7611 PRESSURE: 4453200 303.342 44.0828 58.4374 44.0826 183.852 -75.7847 58.4387 -75.7846 -36.1687 GPRESSURE: 4453200 295.714 60.3788 93.0652 55.1547 247.887 -120.477 88.3164 -35.1945 11.1733 PRESSAVG: 4453200 26.4051 48.3547 -26.5518 48.3547 19.3914 -16.0037 -26.5517 -16.0038 -39.0266 GPRESSAVG: 4453200 26.7093 50.6598 -26.8169 48.0796 19.3243 -15.1469 -27.4057 -14.4294 -39.0385 TIMING: 4453200 CPU: 13378.4, 0.00296665/step Wall: 13378.4, 0.00296665/step, 0.450601 hours remaining, 209.601562 MB of memory in use. ENERGY: 4453200 739.0187 2059.2304 1912.9309 120.9302 -206424.4835 18131.2004 0.0000 0.0000 34143.0059 -149318.1670 298.1794 -183461.1728 -149220.9475 298.5348 150.3419 184.9247 557111.9998 2.2566 2.3317 PRESSURE: 4453400 -82.6042 -84.1642 -27.1456 -84.1643 -146.763 -11.5628 -27.1466 -11.5638 113.07 GPRESSURE: 4453400 -65.3367 -80.2306 -118.153 -59.3736 -37.7524 28.9821 -65.597 -19.9233 85.4399 PRESSAVG: 4453400 37.1923 51.4039 24.748 51.4038 -28.4493 -20.6418 24.7478 -20.6419 4.77951 GPRESSAVG: 4453400 36.928 52.1767 25.2076 50.4022 -27.3469 -17.9168 25.4902 -23.2643 3.76122 TIMING: 4453400 CPU: 13379, 0.00298308/step Wall: 13379, 0.00298308/step, 0.452931 hours remaining, 209.601562 MB of memory in use. ENERGY: 4453400 747.2742 2069.6250 1968.6887 115.7728 -206316.2473 17773.6004 0.0000 0.0000 34438.0234 -149203.2629 300.7558 -183641.2863 -149103.9979 298.9441 -38.7655 -5.8831 557111.9129 4.5075 4.4474 PRESSURE: 4453600 -103.442 -92.2209 27.169 -92.221 62.1758 5.03749 27.169 5.03833 234.463 GPRESSURE: 4453600 -70.3838 -83.0687 102.069 -14.4286 108.821 14.4856 6.23013 -49.8043 260.606 PRESSAVG: 4453600 41.1001 49.2095 46.4091 49.2095 -4.65848 40.7703 46.4091 40.7702 18.7348 GPRESSAVG: 4453600 40.0343 49.8325 46.3103 50.4573 -4.11826 39.1566 47.5956 43.1544 19.4985 TIMING: 4453600 CPU: 13379.6, 0.00298062/step Wall: 13379.6, 0.00298062/step, 0.452391 hours remaining, 209.601562 MB of memory in use. ENERGY: 4453600 745.4114 2070.1818 1934.0291 104.8507 -206188.0456 17884.3100 0.0000 0.0000 34290.2070 -149159.0555 299.4649 -183449.2625 -149063.4023 299.7835 64.3988 99.6812 556282.3874 18.3922 18.4715 PRESSURE: 4453800 -41.0255 -55.2441 -199.71 -55.2439 -127.418 40.0914 -199.71 40.0932 -144.237 GPRESSURE: 4453800 -7.36622 -101.891 -223.576 28.9934 -104.001 0.814791 -216.789 29.7272 -104.453 PRESSAVG: 4453800 17.771 36.0873 -19.1006 36.0874 -46.3627 -67.2344 -19.1007 -67.2345 38.4926 GPRESSAVG: 4453800 18.5561 34.5868 -17.9406 37.1001 -46.5181 -64.8417 -22.0719 -69.7371 37.991 TIMING: 4453800 CPU: 13380.2, 0.00296468/step Wall: 13380.2, 0.00296468/step, 0.449808 hours remaining, 209.601562 MB of memory in use. ENERGY: 4453800 734.9464 2119.5040 1938.7145 124.5203 -206174.8169 17690.4267 0.0000 0.0000 34173.5056 -149393.1993 298.4457 -183566.7049 -149296.3110 298.6078 -104.2267 -71.9400 557591.0760 3.3003 3.3430 PRESSURE: 4454000 -6.43378 -13.038 25.296 -13.0373 22.1933 -72.5679 25.2975 -72.5687 -91.2783 GPRESSURE: 4454000 -9.67454 6.25411 -15.3277 15.027 46.1422 -23.8882 70.8801 -129.896 -20.7672 PRESSAVG: 4454000 15.0129 15.092 -25.8716 15.0921 -16.422 53.7415 -25.8716 53.7416 15.9725 GPRESSAVG: 4454000 14.3434 15.1616 -27.0098 16.1915 -16.3827 52.8967 -24.2259 55.4231 16.7301 TIMING: 4454000 CPU: 13380.8, 0.00297421/step Wall: 13380.8, 0.00297421/step, 0.451089 hours remaining, 209.601562 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: 4454000 787.2034 2045.2341 1933.6768 120.4972 -206466.5200 17867.7546 0.0000 0.0000 34264.1884 -149447.9654 299.2377 -183712.1538 -149348.5130 298.9832 -25.1729 5.2335 556762.8000 4.8544 4.8969 PRESSURE: 4454200 -177.632 -20.214 77.6141 -20.2134 -275.352 -177.774 77.6148 -177.774 170.038 GPRESSURE: 4454200 -117.327 -10.1504 112.063 -18.3967 -278.22 -140.461 28.6905 -209.019 194.238 PRESSAVG: 4454200 -42.8349 -36.4518 30.6869 -36.4518 -3.07517 57.0198 30.6869 57.0198 42.4254 GPRESSAVG: 4454200 -40.9598 -34.5681 33.0612 -38.3035 -3.65267 57.1325 30.6156 54.9222 41.5008 TIMING: 4454200 CPU: 13381.4, 0.00297468/step Wall: 13381.4, 0.00297468/step, 0.450994 hours remaining, 209.601562 MB of memory in use. ENERGY: 4454200 753.5143 2090.7861 1941.7434 101.6129 -206305.9977 17744.0525 0.0000 0.0000 34083.6278 -149590.6607 297.6608 -183674.2886 -149493.9578 298.8804 -94.3158 -67.1032 556996.5515 -1.1615 -1.0372 PRESSURE: 4454400 -326.024 -68.1834 62.5419 -68.1824 -1.40254 118.825 62.5418 118.826 -278.136 GPRESSURE: 4454400 -307.608 -83.4283 52.4318 -91.4005 74.0333 123.332 68.4204 97.7334 -267.527 PRESSAVG: 4454400 -15.0585 -3.93315 -50.1719 -3.93312 13.8338 -6.72157 -50.1719 -6.72144 -39.8075 GPRESSAVG: 4454400 -17.1217 -4.05414 -50.5752 -2.41433 15.5753 -8.06827 -50.6233 -4.83121 -39.5937 TIMING: 4454400 CPU: 13382, 0.00296367/step Wall: 13382, 0.00296367/step, 0.44916 hours remaining, 209.601562 MB of memory in use. ENERGY: 4454400 779.5814 2066.0624 1927.4878 116.8586 -205975.0465 17487.4003 0.0000 0.0000 34072.2615 -149525.3946 297.5615 -183597.6561 -149432.0208 298.0886 -201.8542 -167.0342 557844.3627 -13.6774 -13.7134 PRESSURE: 4454600 -81.7122 -40.4965 -41.805 -40.4976 -141.217 112.165 -41.8063 112.167 -93.8066 GPRESSURE: 4454600 -65.8257 -44.1394 58.7096 -37.9264 -121.327 162.09 -80.2269 66.842 -46.3406 PRESSAVG: 4454600 65.7009 59.37 1.2286 59.37 -9.14707 19.4407 1.22852 19.4407 -52.755 GPRESSAVG: 4454600 66.7718 59.1692 1.02709 56.8339 -10.0265 19.962 0.406648 18.66 -52.7299 TIMING: 4454600 CPU: 13382.6, 0.0029213/step Wall: 13382.6, 0.0029213/step, 0.442577 hours remaining, 209.601562 MB of memory in use. ENERGY: 4454600 766.5927 2070.8852 1938.2181 104.3919 -206489.0497 17747.7963 0.0000 0.0000 34105.4324 -149755.7330 297.8512 -183861.1654 -149659.5755 299.1382 -105.5787 -77.8311 555896.2179 1.2663 1.3385 PRESSURE: 4454800 212.797 -2.0825 -154.311 -2.08214 -80.1863 49.2237 -154.311 49.2238 328.127 GPRESSURE: 4454800 243.633 39.8221 -244.734 -58.6033 -25.085 91.7712 -168.734 -26.6865 342.655 PRESSAVG: 4454800 51.6435 42.8561 20.4283 42.8561 -24.4542 3.68491 20.4283 3.68488 -27.8859 GPRESSAVG: 4454800 51.3144 42.9855 19.2528 44.4523 -24.4399 4.48071 22.0448 4.35336 -27.7251 TIMING: 4454800 CPU: 13383.2, 0.00294845/step Wall: 13383.2, 0.00294845/step, 0.446526 hours remaining, 209.601562 MB of memory in use. ENERGY: 4454800 719.9050 2097.5505 1916.1927 120.4733 -206809.4142 18121.8415 0.0000 0.0000 34317.1123 -149516.3389 299.6999 -183833.4511 -149419.7078 297.8289 153.5793 187.0676 557278.4160 -0.2322 -0.2835 PRESSURE: 4455000 -8.99001 167.583 -133.153 167.582 -38.6308 2.9521 -133.153 2.95234 -74.9286 GPRESSURE: 4455000 15.271 145.892 -102.064 196.73 6.12788 47.2772 -128.157 15.4573 -49.9621 PRESSAVG: 4455000 29.0548 6.93574 -3.76575 6.93564 -66.7736 13.5807 -3.76574 13.5808 38.8627 GPRESSAVG: 4455000 29.5623 8.47884 -4.31717 5.54501 -67.5608 13.5957 -4.24612 13.8005 39.2035 TIMING: 4455000 CPU: 13383.7, 0.00295744/step Wall: 13383.7, 0.00295744/step, 0.447724 hours remaining, 209.601562 MB of memory in use. ENERGY: 4455000 770.8402 2065.8916 1939.0486 123.8322 -206781.5850 17946.0853 0.0000 0.0000 34329.4360 -149606.4512 299.8075 -183935.8872 -149504.7178 298.0072 -40.8498 -9.5211 556714.0967 0.3813 0.4017 PRESSURE: 4455200 4.66853 -123.965 82.2318 -123.966 195.127 -103.004 82.232 -103.004 -264.355 GPRESSURE: 4455200 54.8591 -85.1377 112.486 -191.565 200.609 -90.4394 81.7785 -22.7213 -224.912 PRESSAVG: 4455200 -4.92805 -16.9343 -16.7743 -16.9343 27.8144 9.39907 -16.7743 9.39902 14.5096 GPRESSAVG: 4455200 -4.6611 -18.7171 -16.074 -15.8023 27.7694 8.30933 -15.8273 8.68332 14.5071 TIMING: 4455200 CPU: 13384.3, 0.00299546/step Wall: 13384.3, 0.00299546/step, 0.453313 hours remaining, 209.601562 MB of memory in use. ENERGY: 4455200 737.8809 2143.1552 1938.9069 137.8340 -206145.6056 17698.1167 0.0000 0.0000 34083.0546 -149406.6572 297.6558 -183489.7118 -149317.8171 298.6315 -21.5197 10.1857 557773.5536 12.4653 12.5385 PRESSURE: 4455400 382.799 -169.783 -108.758 -169.783 -489.965 29.6081 -108.759 29.6089 -50.5247 GPRESSURE: 4455400 378.867 -84.7306 -149.175 -304.982 -472.467 -74.4218 -19.4581 78.1338 29.0009 PRESSAVG: 4455400 15.796 -9.27495 -18.7512 -9.27489 -66.2452 8.36074 -18.7513 8.36071 95.1713 GPRESSAVG: 4455400 16.4204 -11.1287 -18.4473 -9.97586 -66.7186 8.19965 -20.8157 9.20413 94.5211 TIMING: 4455400 CPU: 13384.9, 0.00297325/step Wall: 13384.9, 0.00297325/step, 0.449786 hours remaining, 209.601562 MB of memory in use. ENERGY: 4455400 744.9562 2069.2158 1947.7906 108.7141 -206527.8947 17875.4397 0.0000 0.0000 34246.4507 -149535.3275 299.0828 -183781.7781 -149428.5625 298.5638 -52.5636 -21.5330 557827.6522 14.9073 14.7410 PRESSURE: 4455600 -340.183 19.5018 115.172 19.5013 -389.565 3.24828 115.172 3.24891 -82.6221 GPRESSURE: 4455600 -268.258 23.022 133.725 18.1605 -322.651 -51.8454 19.7926 43.8452 -120.075 PRESSAVG: 4455600 16.4968 -5.78695 46.362 -5.78685 -36.3447 23.3457 46.3619 23.3458 57.1899 GPRESSAVG: 4455600 16.0666 -3.05931 43.8916 -4.30699 -35.8334 22.8944 47.4278 22.8557 57.4691 TIMING: 4455600 CPU: 13385.5, 0.00297865/step Wall: 13385.5, 0.00297865/step, 0.450438 hours remaining, 209.601562 MB of memory in use. ENERGY: 4455600 751.3437 2091.5726 1974.0639 117.1785 -206174.2073 17476.6413 0.0000 0.0000 34183.9044 -149579.5028 298.5365 -183763.4072 -149487.8218 297.7426 -270.7902 -236.9948 558734.4468 12.4474 12.5674 PRESSURE: 4455800 -152.702 -102.022 16.275 -102.021 7.41748 141.935 16.2754 141.935 -109.674 GPRESSURE: 4455800 -161.323 -120.859 16.9812 -34.8118 15.0958 193.2 107.299 124.355 -12.4278 PRESSAVG: 4455800 -18.7782 26.4105 9.28022 26.4105 -53.5663 15.4514 9.28015 15.4514 46.9085 GPRESSAVG: 4455800 -19.3351 24.2836 10.571 26.0672 -53.867 15.4096 9.36218 17.0821 47.4951 TIMING: 4455800 CPU: 13386.1, 0.00298679/step Wall: 13386.1, 0.00298679/step, 0.451503 hours remaining, 209.601562 MB of memory in use. ENERGY: 4455800 689.3619 2049.3108 1969.0054 104.1380 -206055.9374 17685.6366 0.0000 0.0000 33976.0547 -149582.4301 296.7213 -183558.4848 -149487.3322 297.6684 -84.9861 -52.8849 560373.7092 -8.4787 -8.5690 PRESSURE: 4456000 349.08 67.5747 189.38 67.5736 185.613 -90.2216 189.379 -90.2224 214.262 GPRESSURE: 4456000 401.14 65.5441 205.426 41.9659 207.163 -139.754 125.051 -134.104 235.959 PRESSAVG: 4456000 77.6622 15.3889 56.9976 15.3889 41.3841 5.59113 56.9976 5.59111 -85.7778 GPRESSAVG: 4456000 76.9589 15.2202 56.9146 16.3083 42.298 7.43078 57.0158 4.75615 -85.5659 TIMING: 4456000 CPU: 13386.7, 0.00298376/step Wall: 13386.7, 0.00298376/step, 0.45088 hours remaining, 209.601562 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: 4456000 705.0749 2046.2272 1962.0683 128.0551 -206806.7205 18219.9281 0.0000 0.0000 34173.9909 -149571.3760 298.4500 -183745.3669 -149477.0560 297.9444 249.6514 281.4206 557451.8532 11.0895 11.2303 PRESSURE: 4456200 -65.9791 -29.1712 100.649 -29.1711 -304.988 -21.2345 100.649 -21.2341 51.3862 GPRESSURE: 4456200 -49.8166 -14.8112 66.1923 -50.0116 -249.848 -75.9636 87.7914 23.9609 67.1471 PRESSAVG: 4456200 -16.8002 77.4629 20.1614 77.4629 0.160134 -17.0483 20.1612 -17.0484 37.9337 GPRESSAVG: 4456200 -15.3403 78.5389 20.7793 76.3238 0.369325 -19.4122 19.8053 -17.4868 36.2149 TIMING: 4456200 CPU: 13387.3, 0.00297842/step Wall: 13387.3, 0.00297842/step, 0.449907 hours remaining, 209.601562 MB of memory in use. ENERGY: 4456200 719.5113 2033.8234 1947.2476 113.6843 -206171.3925 17496.4638 0.0000 0.0000 34095.4160 -149765.2461 297.7637 -183860.6622 -149674.4270 298.3939 -106.5269 -77.5057 557562.4423 7.0979 7.0813 LDB: ============= START OF LOAD BALANCING ============== 13390.8 LDB: ============== END OF LOAD BALANCING =============== 13390.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13390.8 LDB: ============= START OF LOAD BALANCING ============== 13391.1 LDB: Largest compute 4773 load 0.027604 is 23.4% of average load 0.118108 LDB: Average compute 0.001737 is 1.5% of average load 0.118108 LDB: TIME 13391.1 LOAD: AVG 0.118108 MAX 0.204165 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.484 MB LDB: TIME 13391.1 LOAD: AVG 0.118108 MAX 0.204165 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.688 MB LDB: TIME 13391.1 LOAD: AVG 0.118108 MAX 0.204165 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.688 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13391.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13391.2 PRESSURE: 4456400 -96.839 22.9337 64.9005 22.933 60.0847 56.0764 64.8998 56.0771 -94.124 GPRESSURE: 4456400 -83.0264 54.528 19.087 -83.78 95.4953 78.2918 178.129 94.2006 -52.3902 PRESSAVG: 4456400 -38.0267 -17.6136 30.0943 -17.6136 19.2352 -13.7228 30.0943 -13.7228 26.1577 GPRESSAVG: 4456400 -38.4798 -16.9026 30.3731 -18.9227 18.4349 -14.1093 31.8794 -12.9419 27.5689 TIMING: 4456400 CPU: 13387.9, 0.00304453/step Wall: 13387.9, 0.00304453/step, 0.459724 hours remaining, 209.511719 MB of memory in use. ENERGY: 4456400 767.4967 2100.6757 1944.5808 104.6292 -206591.8463 17831.4550 0.0000 0.0000 34066.3370 -149776.6720 297.5098 -183843.0089 -149676.3334 298.5513 -43.6261 -13.3071 556183.9726 2.4554 2.5080 PRESSURE: 4456600 -16.0546 199.478 155.073 199.478 -213.981 -47.2593 155.073 -47.2591 -164.028 GPRESSURE: 4456600 -12.55 240.035 216.362 118.256 -235.822 -26.987 114.206 -28.4073 -51.3588 PRESSAVG: 4456600 -5.69402 -2.4985 27.2087 -2.49852 -28.3015 -43.4464 27.2087 -43.4464 6.52156 GPRESSAVG: 4456600 -4.94677 -2.30506 27.774 -2.93109 -28.3285 -40.3199 26.1732 -44.7714 6.13616 TIMING: 4456600 CPU: 13388.5, 0.00298058/step Wall: 13388.5, 0.00298058/step, 0.449902 hours remaining, 209.972656 MB of memory in use. ENERGY: 4456600 778.5838 2079.7301 1947.9954 112.9082 -206454.0306 17617.2023 0.0000 0.0000 34262.2767 -149655.3342 299.2210 -183917.6109 -149553.7457 298.5452 -131.3544 -99.9103 555431.8631 -9.1580 -9.0464 PRESSURE: 4456800 -118.231 -12.184 -41.3756 -12.1845 97.7578 156.913 -41.3752 156.91 245.752 GPRESSURE: 4456800 -89.3971 -14.3595 -55.6234 -64.2181 86.5223 178.627 51.7324 198.477 320.936 PRESSAVG: 4456800 -15.3762 5.86857 -33.7636 5.86861 20.479 -1.56745 -33.7636 -1.56751 32.1213 GPRESSAVG: 4456800 -15.0644 7.14785 -35.6674 6.29245 19.9615 -3.31239 -33.3104 1.07732 32.5394 TIMING: 4456800 CPU: 13389.1, 0.00298314/step Wall: 13389.1, 0.00298314/step, 0.450123 hours remaining, 209.972656 MB of memory in use. ENERGY: 4456800 710.6236 2090.3205 1955.0982 103.3999 -206648.5349 17995.8300 0.0000 0.0000 34129.4645 -149663.7984 298.0611 -183793.2628 -149568.7488 297.9325 75.0928 106.0203 558194.1473 12.4080 12.4789 PRESSURE: 4457000 -214.052 110.085 -21.8279 110.085 -110.349 -42.3745 -21.8276 -42.3727 17.3805 GPRESSURE: 4457000 -161.638 3.02091 -44.9348 167.053 -21.0817 -26.6407 -82.8883 -18.7353 -15.2352 PRESSAVG: 4457000 2.4836 42.9558 16.0043 42.9559 15.1181 -8.09683 16.0042 -8.0969 -24.159 GPRESSAVG: 4457000 3.87758 40.0219 16.7184 44.3447 15.2354 -6.39386 16.5422 -12.2093 -25.2342 TIMING: 4457000 CPU: 13389.7, 0.00295574/step Wall: 13389.7, 0.00295574/step, 0.445824 hours remaining, 209.972656 MB of memory in use. ENERGY: 4457000 714.3229 2049.3510 1933.0237 119.3879 -206819.3466 17941.8401 0.0000 0.0000 34135.8595 -149925.5615 298.1170 -184061.4211 -149826.8498 297.7083 -102.3404 -65.9850 558380.6125 -2.1858 -2.0404 PRESSURE: 4457200 249.649 -15.637 -100.664 -15.6372 171.291 -110.82 -100.666 -110.818 290.146 GPRESSURE: 4457200 278.635 29.7537 -65.9791 67.3261 186.319 -75.2589 -55.3533 -107.361 349.311 PRESSAVG: 4457200 28.2965 -27.5737 -30.4346 -27.5737 23.9269 27.9672 -30.4346 27.9673 -70.1453 GPRESSAVG: 4457200 25.4516 -25.3911 -29.4123 -28.6368 24.6749 24.9036 -32.9604 32.764 -67.9187 TIMING: 4457200 CPU: 13390.3, 0.00296017/step Wall: 13390.3, 0.00296017/step, 0.446328 hours remaining, 209.972656 MB of memory in use. ENERGY: 4457200 700.5369 2115.0575 1933.5206 117.4871 -206844.2827 18154.6512 0.0000 0.0000 34045.1602 -149777.8692 297.3249 -183823.0294 -149673.3877 297.4137 237.0285 271.4216 556168.6011 -5.9740 -5.9307 PRESSURE: 4457400 -285.185 118.289 -140.616 118.289 -508.468 -22.224 -140.616 -22.2248 -328.263 GPRESSURE: 4457400 -282.344 124.802 -203.833 19.6842 -450.559 -24.6983 -124.207 17.5296 -294.656 PRESSAVG: 4457400 72.8794 -41.744 -5.94933 -41.744 -6.90723 -42.9199 -5.94931 -42.9198 -21.0954 GPRESSAVG: 4457400 74.6799 -41.5945 -7.21948 -42.0555 -8.5004 -40.6695 -4.49664 -45.4575 -21.2995 TIMING: 4457400 CPU: 13390.9, 0.00298544/step Wall: 13390.9, 0.00298544/step, 0.449972 hours remaining, 209.972656 MB of memory in use. ENERGY: 4457400 758.9653 2108.3786 1939.4975 114.1984 -205994.2636 17255.8444 0.0000 0.0000 34268.7717 -149548.6077 299.2777 -183817.3794 -149457.2448 298.0125 -373.9721 -342.5197 557607.0107 14.9589 14.9600 PRESSURE: 4457600 -12.6946 113.962 58.9362 113.961 -159.019 -20.602 58.9356 -20.6029 -184.785 GPRESSURE: 4457600 -32.7272 87.357 99.2011 201.543 -127.689 -8.36129 45.2788 -4.70068 -95.164 PRESSAVG: 4457600 -7.4023 -4.67699 14.6473 -4.67698 4.41091 13.85 14.6472 13.85 -46.1318 GPRESSAVG: 4457600 -9.15345 -4.09737 15.9943 -5.70416 7.39109 13.9598 15.1473 14.2804 -47.3027 TIMING: 4457600 CPU: 13391.5, 0.00299712/step Wall: 13391.5, 0.00299712/step, 0.451567 hours remaining, 210.039062 MB of memory in use. ENERGY: 4457600 758.7380 2118.0584 1923.9869 111.6383 -205833.1045 17409.8878 0.0000 0.0000 34108.2921 -149402.5031 297.8762 -183510.7952 -149307.0012 298.1172 -118.8327 -85.1935 556471.1384 -16.3744 -16.3550 PRESSURE: 4457800 -55.0846 123.745 49.9761 123.745 106.825 -72.0374 49.9753 -72.0379 69.6099 GPRESSURE: 4457800 -52.1383 267.505 126.15 23.3647 189.006 -28.1618 117.073 -99.3006 78.4716 PRESSAVG: 4457800 2.7006 -44.6884 10.6671 -44.6884 13.2951 33.2804 10.6671 33.2804 -44.6167 GPRESSAVG: 4457800 4.37977 -47.6924 10.5826 -43.0481 11.9272 32.1585 9.69916 33.5114 -45.0505 TIMING: 4457800 CPU: 13392.1, 0.00293602/step Wall: 13392.1, 0.00293602/step, 0.442197 hours remaining, 210.039062 MB of memory in use. ENERGY: 4457800 748.6909 2073.7585 1938.7881 126.1349 -206195.6976 17771.2389 0.0000 0.0000 34112.4990 -149424.5873 297.9129 -183537.0864 -149323.4736 298.4660 40.4499 71.7796 555789.9895 -9.5404 -9.5812 PRESSURE: 4458000 -144.105 123.752 -19.2799 123.753 -308.336 84.5693 -19.2806 84.5716 -389.099 GPRESSURE: 4458000 -40.3065 120.551 7.92663 114.851 -276.72 55.5741 -112.609 -46.7991 -417.094 PRESSAVG: 4458000 4.49738 66.3712 0.0173258 66.3712 -8.55732 -28.6596 0.0174135 -28.6596 -10.7601 GPRESSAVG: 4458000 3.94144 68.5981 -2.1216 65.4035 -9.02051 -28.9998 1.45177 -30.5507 -9.49055 TIMING: 4458000 CPU: 13392.7, 0.0029341/step Wall: 13392.7, 0.0029341/step, 0.441745 hours remaining, 210.039062 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: 4458000 768.0129 2095.3921 1921.9089 106.7843 -205755.3907 17343.8297 0.0000 0.0000 34291.4012 -149228.0617 299.4753 -183519.4629 -149126.4910 299.1873 -280.5132 -244.7066 557755.9010 -4.9400 -4.8565 PRESSURE: 4458200 -94.2871 -95.1617 73.7763 -95.1619 -100.999 25.6516 73.7759 25.6506 -46.6333 GPRESSURE: 4458200 0.682899 -59.2321 60.8959 -14.7335 -107.716 13.4196 53.2198 -56.5773 -26.8413 PRESSAVG: 4458200 -45.2117 -39.8188 -47.6825 -39.8188 74.5204 -60.8844 -47.6824 -60.8843 -55.5297 GPRESSAVG: 4458200 -44.8262 -40.6353 -46.3652 -38.2274 74.8941 -58.922 -48.4338 -59.9723 -55.8911 TIMING: 4458200 CPU: 13393.3, 0.0029482/step Wall: 13393.3, 0.0029482/step, 0.443704 hours remaining, 210.039062 MB of memory in use. ENERGY: 4458200 756.1281 2128.9613 1938.1469 110.8851 -206221.1143 17610.1211 0.0000 0.0000 34494.4560 -149182.4156 301.2487 -183676.8716 -149086.7496 299.8128 -80.6398 -44.6246 556252.4914 -8.7403 -8.6077 PRESSURE: 4458400 -99.5335 -198.082 -137.171 -198.083 -258.501 -271.493 -137.171 -271.495 -140.539 GPRESSURE: 4458400 -57.4046 -204.821 -87.7919 -235.833 -172.153 -98.2827 -151.674 -250.407 -151.197 PRESSAVG: 4458400 7.37197 -38.2481 33.1657 -38.248 -19.0209 -60.677 33.1657 -60.677 -7.36648 GPRESSAVG: 4458400 7.25967 -38.49 33.6047 -38.9389 -19.1386 -62.6815 32.1474 -60.0525 -7.49293 TIMING: 4458400 CPU: 13393.9, 0.00294841/step Wall: 13393.9, 0.00294841/step, 0.443572 hours remaining, 210.039062 MB of memory in use. ENERGY: 4458400 800.6974 2113.2227 1920.4183 112.1620 -206465.3290 17872.8111 0.0000 0.0000 34250.7741 -149395.2434 299.1205 -183646.0175 -149303.1824 299.1753 -166.1915 -126.9181 556762.6287 -6.3385 -6.4573 PRESSURE: 4458600 -128.87 -10.055 -11.3703 -10.0541 -67.0651 12.2939 -11.3704 12.2949 -135.131 GPRESSURE: 4458600 -106.628 -23.4981 -83.8417 -22.2446 -36.5112 -84.4983 36.2449 -3.05156 -72.2232 PRESSAVG: 4458600 -26.7928 2.89716 -69.5253 2.89711 36.7558 -70.2482 -69.5253 -70.2481 1.14615 GPRESSAVG: 4458600 -27.0261 3.03058 -70.4925 3.47518 35.8253 -70.664 -67.6122 -70.8915 2.07489 TIMING: 4458600 CPU: 13394.4, 0.00293765/step Wall: 13394.4, 0.00293765/step, 0.441789 hours remaining, 210.039062 MB of memory in use. ENERGY: 4458600 765.4250 2086.7339 1950.9904 118.5442 -206303.3785 17670.8246 0.0000 0.0000 34321.6573 -149389.2030 299.7396 -183710.8603 -149294.0090 299.4686 -110.3554 -71.7876 556625.2087 3.7031 3.6247 PRESSURE: 4458800 -18.467 -70.8744 -86.0673 -70.8741 61.5345 -144.543 -86.0678 -144.545 -9.05113 GPRESSURE: 4458800 -1.79612 -81.9276 -106.705 -63.3903 92.7305 -87.0944 -15.1527 -130.934 31.4642 PRESSAVG: 4458800 -65.9362 -11.9932 -19.0022 -11.9931 38.4959 -39.0094 -19.0022 -39.0095 -1.67209 GPRESSAVG: 4458800 -67.2848 -11.5943 -18.3156 -13.3908 39.4885 -37.1166 -19.6966 -39.4414 -1.19553 TIMING: 4458800 CPU: 13395, 0.0029704/step Wall: 13395, 0.0029704/step, 0.44655 hours remaining, 210.039062 MB of memory in use. ENERGY: 4458800 758.5500 2085.7426 1934.5881 117.4609 -206555.2223 17968.9331 0.0000 0.0000 34260.3064 -149429.6412 299.2038 -183689.9476 -149334.3331 299.3766 11.3388 40.7995 556861.9679 -9.7041 -9.6639 PRESSURE: 4459000 -164.804 -78.8261 -267.313 -78.827 -126.158 -55.9075 -267.313 -55.9054 -251.173 GPRESSURE: 4459000 -138.268 -87.2006 -258.974 -95.5901 -49.1075 -31.889 -257.669 -27.0689 -253.735 PRESSAVG: 4459000 -27.0625 30.1674 -34.9205 30.1674 32.9018 -0.854237 -34.9205 -0.854136 -42.4735 GPRESSAVG: 4459000 -25.9953 30.3087 -35.4363 29.9096 33.013 0.0994086 -33.146 -1.80284 -43.5752 TIMING: 4459000 CPU: 13395.6, 0.00297111/step Wall: 13395.6, 0.00297111/step, 0.446492 hours remaining, 210.039062 MB of memory in use. ENERGY: 4459000 762.9548 2111.6523 1944.4935 105.7149 -206251.9534 17763.4711 0.0000 0.0000 34124.1082 -149439.5587 298.0143 -183563.6669 -149343.9363 298.4323 -180.7117 -147.0368 559540.2416 -12.2114 -12.1858 PRESSURE: 4459200 223.492 -59.6329 -23.9823 -59.6336 89.2999 -69.305 -23.9825 -69.3051 -182.042 GPRESSURE: 4459200 205.147 15.3174 -105.884 -76.4827 140.424 13.1643 110.98 -16.7718 -125.842 PRESSAVG: 4459200 -9.61859 -31.0662 -29.0707 -31.0661 26.0464 -23.928 -29.0708 -23.9281 -13.3558 GPRESSAVG: 4459200 -9.81795 -29.9336 -29.0864 -30.5774 26.4188 -24.0916 -30.0874 -23.7826 -13.6755 TIMING: 4459200 CPU: 13396.2, 0.00299515/step Wall: 13396.2, 0.00299515/step, 0.449938 hours remaining, 210.039062 MB of memory in use. ENERGY: 4459200 736.4651 2070.7796 1951.9606 124.6089 -206845.1509 18074.6125 0.0000 0.0000 34257.6861 -149629.0381 299.1809 -183886.7242 -149537.4922 298.4811 43.5833 73.2430 557342.3161 1.0240 0.9751 PRESSURE: 4459400 192.114 41.8901 -57.0418 41.8889 32.8683 -60.8355 -57.041 -60.8352 -130.385 GPRESSURE: 4459400 217.244 -15.6843 -130.279 128.19 73.6134 -71.3558 -96.7856 -30.3506 -97.9498 PRESSAVG: 4459400 39.317 12.7405 -11.9841 12.7405 42.709 -53.355 -11.9841 -53.355 -54.8358 GPRESSAVG: 4459400 39.2905 12.4872 -12.4409 12.1413 42.8397 -55.4549 -12.809 -51.6139 -54.8309 TIMING: 4459400 CPU: 13396.8, 0.00299867/step Wall: 13396.8, 0.00299867/step, 0.4503 hours remaining, 210.039062 MB of memory in use. ENERGY: 4459400 747.3411 2050.0047 1930.4666 107.4437 -206516.3779 17839.3788 0.0000 0.0000 34096.9428 -149744.8001 297.7771 -183841.7430 -149649.9693 298.2794 31.5321 64.3026 555992.8261 9.0634 9.0998 PRESSURE: 4459600 190.498 83.1979 113.515 83.1971 149.177 -150.541 113.516 -150.54 339.391 GPRESSURE: 4459600 198.774 74.9661 121.172 91.5481 221.934 -181.266 77.6581 -196.04 365.098 PRESSAVG: 4459600 3.63101 31.7696 33.0296 31.7695 -3.75852 -42.7564 33.0296 -42.7566 -13.4692 GPRESSAVG: 4459600 2.69955 30.5667 33.9242 34.2258 -3.74625 -41.7953 33.01 -43.7713 -12.4943 TIMING: 4459600 CPU: 13397.4, 0.0030196/step Wall: 13397.4, 0.0030196/step, 0.453276 hours remaining, 210.039062 MB of memory in use. ENERGY: 4459600 751.2658 2083.9522 1942.4236 117.8820 -206816.7883 18019.1135 0.0000 0.0000 34187.0649 -149715.0863 298.5641 -183902.1512 -149623.8267 298.3367 226.3554 261.9352 555260.1029 -4.5322 -4.5137 PRESSURE: 4459800 12.2643 -39.6061 117.642 -39.6052 5.91414 -10.6859 117.642 -10.6853 356.245 GPRESSURE: 4459800 81.0763 24.0566 5.86981 -48.3821 -4.51267 -30.3682 125.228 -74.0863 402.649 PRESSAVG: 4459800 -0.12529 10.5659 50.3445 10.566 -14.6215 -7.07923 50.3446 -7.07919 -11.0462 GPRESSAVG: 4459800 0.26157 12.2083 51.9944 9.00983 -15.3273 -6.81159 47.7059 -7.94656 -10.5611 TIMING: 4459800 CPU: 13398, 0.00299582/step Wall: 13398, 0.00299582/step, 0.449539 hours remaining, 210.039062 MB of memory in use. ENERGY: 4459800 740.0022 2109.0317 1943.5104 110.4151 -206814.0207 17776.2507 0.0000 0.0000 34317.2354 -149817.5752 299.7010 -184134.8106 -149720.2142 298.2694 124.8077 159.7374 554687.7580 -8.5976 -8.5423 PRESSURE: 4460000 -135.527 107.646 -34.1279 107.647 0.0108512 84.1615 -34.1292 84.1614 -102.649 GPRESSURE: 4460000 -165.541 168.822 16.4808 -2.8611 84.9284 74.6844 -154.549 107.085 -51.1656 PRESSAVG: 4460000 62.6049 -15.2658 32.4843 -15.2658 -14.7534 28.1704 32.4843 28.1704 -26.1591 GPRESSAVG: 4460000 62.4733 -15.8321 28.8045 -16.2984 -13.8218 27.6481 33.8807 29.7313 -26.7534 TIMING: 4460000 CPU: 13398.6, 0.00298432/step Wall: 13398.6, 0.00298432/step, 0.447648 hours remaining, 210.039062 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: 4460000 789.1939 2086.3050 1907.8131 93.5221 -206722.5752 17791.2783 0.0000 0.0000 34193.2823 -149861.1805 298.6184 -184054.4628 -149766.4351 298.4336 -79.3884 -43.9261 554791.4077 7.2308 7.2994 PRESSURE: 4460200 -233.176 -38.9148 -6.77545 -38.915 85.4723 89.3265 -6.77483 89.3263 -378.13 GPRESSURE: 4460200 -179.968 -118.785 38.8239 23.5556 87.8805 -6.29226 -23.7459 151.985 -329.277 PRESSAVG: 4460200 -9.22179 -10.2847 2.10986 -10.2847 70.8854 -58.3171 2.10992 -58.3171 -12.0085 GPRESSAVG: 4460200 -8.28074 -10.7016 3.64071 -9.78338 70.629 -59.2739 1.99198 -59.4541 -12.6803 TIMING: 4460200 CPU: 13399.2, 0.0029814/step Wall: 13399.2, 0.0029814/step, 0.447045 hours remaining, 210.039062 MB of memory in use. ENERGY: 4460200 701.8004 2141.6152 1941.3484 106.0565 -206028.3677 17503.8731 0.0000 0.0000 34068.2497 -149565.4245 297.5265 -183633.6742 -149474.3890 298.4330 -175.2780 -140.4549 558242.8436 16.5517 16.5560 LDB: ============= START OF LOAD BALANCING ============== 13402.8 LDB: ============== END OF LOAD BALANCING =============== 13402.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13402.8 LDB: ============= START OF LOAD BALANCING ============== 13403 LDB: Largest compute 4773 load 0.027050 is 22.9% of average load 0.118265 LDB: Average compute 0.001736 is 1.5% of average load 0.118265 LDB: TIME 13403.1 LOAD: AVG 0.118265 MAX 0.208175 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.934 MB LDB: TIME 13403.1 LOAD: AVG 0.118265 MAX 0.208175 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.137 MB LDB: TIME 13403.1 LOAD: AVG 0.118265 MAX 0.208175 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.137 MB LDB: ============== END OF LOAD BALANCING =============== 13403.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13403.1 PRESSURE: 4460400 -306.046 66.1948 -62.4104 66.1935 -68.4589 -69.9376 -62.4112 -69.9378 -191.957 GPRESSURE: 4460400 -231.569 1.53266 -33.1366 168.086 -94.0396 -44.4957 -113.999 -2.25676 -129.556 PRESSAVG: 4460400 13.9561 -2.75051 16.1413 -2.75048 9.67735 7.22496 16.1412 7.2249 -26.7195 GPRESSAVG: 4460400 13.8584 -0.401272 16.1506 -2.14199 9.52461 9.16209 16.0398 8.63797 -26.7169 TIMING: 4460400 CPU: 13399.8, 0.00304492/step Wall: 13399.8, 0.00304492/step, 0.4564 hours remaining, 210.007812 MB of memory in use. ENERGY: 4460400 772.2923 2096.0964 1920.0534 120.3437 -206240.9841 17640.4572 0.0000 0.0000 34141.9389 -149549.8022 298.1700 -183691.7411 -149451.2470 298.2786 -188.8205 -151.7217 557367.1710 -1.0287 -1.1113 PRESSURE: 4460600 -136.078 133.159 -106.392 133.159 75.5237 2.3998 -106.393 2.40018 92.9718 GPRESSURE: 4460600 -73.6295 93.5604 -117.498 172.313 71.2828 -27.166 -38.4861 24.0706 139.842 PRESSAVG: 4460600 -6.85435 4.09162 -19.823 4.09166 -29.5621 -13.1043 -19.823 -13.1043 18.0516 GPRESSAVG: 4460600 -7.82356 2.43072 -20.1507 3.43942 -29.5559 -14.4924 -19.2482 -14.9956 18.5181 TIMING: 4460600 CPU: 13400.4, 0.00299536/step Wall: 13400.4, 0.00299536/step, 0.448805 hours remaining, 210.007812 MB of memory in use. ENERGY: 4460600 755.8800 2161.5914 1953.3994 115.5942 -206608.2832 17991.3956 0.0000 0.0000 34133.7914 -149496.6312 298.0989 -183630.4227 -149407.6081 298.4366 10.8058 45.8318 556650.7667 -6.1216 -6.2871 PRESSURE: 4460800 -196.713 31.2808 -5.37057 31.2814 121.654 55.7934 -5.36986 55.7937 -12.6054 GPRESSURE: 4460800 -135.864 87.6291 -42.2279 -1.44743 159.963 76.024 53.9998 -14.7714 -9.63146 PRESSAVG: 4460800 -16.7822 30.0115 -0.00198122 30.0115 12.0461 -94.3806 -0.00197811 -94.3806 -19.0526 GPRESSAVG: 4460800 -15.6793 29.4399 -0.28564 30.9567 10.7929 -94.012 -0.393974 -94.5377 -18.9403 TIMING: 4460800 CPU: 13401, 0.00297888/step Wall: 13401, 0.00297888/step, 0.446169 hours remaining, 210.007812 MB of memory in use. ENERGY: 4460800 753.1162 2107.5863 1936.9756 99.2542 -206054.0349 17675.8572 0.0000 0.0000 33778.6112 -149702.6341 294.9970 -183481.2453 -149601.6018 298.1865 -29.2212 4.8225 557494.6465 -7.9295 -7.9422 PRESSURE: 4461000 6.82959 76.0851 80.2895 76.0844 -14.3168 85.3248 80.2908 85.3261 79.0957 GPRESSURE: 4461000 68.8145 -17.2729 58.1929 26.4951 -23.475 18.4806 49.9381 150.995 119.365 PRESSAVG: 4461000 -19.1011 67.6831 36.8018 67.6831 -20.2589 -6.43579 36.8018 -6.43581 27.3347 GPRESSAVG: 4461000 -20.1669 66.9909 37.0964 66.8109 -19.5579 -8.92059 36.0172 -4.77555 27.4482 TIMING: 4461000 CPU: 13401.6, 0.00297692/step Wall: 13401.6, 0.00297692/step, 0.445711 hours remaining, 210.007812 MB of memory in use. ENERGY: 4461000 769.3769 2057.0754 1930.3205 111.7734 -206661.4400 17903.2711 0.0000 0.0000 34116.5523 -149773.0704 297.9483 -183889.6227 -149672.9165 297.6377 23.8695 54.9015 556158.2783 -4.0085 -4.0922 PRESSURE: 4461200 3.03628 63.3684 43.0757 63.3688 -86.8296 -23.428 43.077 -23.4266 31.3962 GPRESSURE: 4461200 57.6559 33.0044 41.459 129.572 -65.1145 -56.0181 54.7717 -60.2608 62.1301 PRESSAVG: 4461200 2.20747 39.5303 28.8446 39.5303 -62.2559 -27.8012 28.8446 -27.8013 32.7987 GPRESSAVG: 4461200 2.60545 39.9712 29.541 40.9764 -62.5097 -25.9653 28.1843 -29.3065 32.957 TIMING: 4461200 CPU: 13402.2, 0.00296761/step Wall: 13402.2, 0.00296761/step, 0.444152 hours remaining, 210.074219 MB of memory in use. ENERGY: 4461200 730.5082 2086.4030 1946.7075 113.4464 -206382.1057 17800.0142 0.0000 0.0000 34060.8282 -149644.1982 297.4617 -183705.0264 -149551.1426 297.1751 -17.4657 18.2239 556052.1461 -9.0833 -8.9824 PRESSURE: 4461400 127.421 126.264 -111.111 126.265 25.5587 68.3205 -111.111 68.3203 145.612 GPRESSURE: 4461400 60.197 216.086 -86.085 61.9846 162.14 69.3605 -184.918 84.7072 176.121 PRESSAVG: 4461400 -26.2699 49.1708 -17.3517 49.1707 -3.38038 14.3234 -17.3517 14.3235 43.7282 GPRESSAVG: 4461400 -26.8256 48.6184 -16.8237 48.6864 -3.30464 17.2027 -17.3712 12.848 43.7664 TIMING: 4461400 CPU: 13402.8, 0.00297201/step Wall: 13402.8, 0.00297201/step, 0.444645 hours remaining, 210.074219 MB of memory in use. ENERGY: 4461400 732.2321 2120.4510 1917.0827 116.8463 -206767.4208 18039.9637 0.0000 0.0000 34119.7278 -149721.1171 297.9761 -183840.8450 -149635.1841 297.9509 99.5308 132.8193 556286.0161 4.6926 4.5454 PRESSURE: 4461600 -84.548 132.108 -97.2813 132.107 -124.345 107.369 -97.279 107.369 -131.54 GPRESSURE: 4461600 -99.9667 34.8998 -127.103 172.132 -48.6156 70.7309 -32.4892 100.637 -103.986 PRESSAVG: 4461600 -50.3592 9.70413 -19.9468 9.70413 65.0917 -20.6604 -19.9468 -20.6605 20.9763 GPRESSAVG: 4461600 -49.557 10.1327 -21.9549 8.61609 65.4811 -24.2599 -20.3337 -18.5349 19.2824 TIMING: 4461600 CPU: 13403.4, 0.00294572/step Wall: 13403.4, 0.00294572/step, 0.440549 hours remaining, 210.074219 MB of memory in use. ENERGY: 4461600 734.0742 2116.7980 1906.9363 109.1622 -206395.6280 17794.0719 0.0000 0.0000 34094.1263 -149640.4591 297.7525 -183734.5854 -149540.2177 298.5219 -113.4778 -84.1894 557097.6304 11.9030 11.7355 PRESSURE: 4461800 -205.332 -319.259 -126.103 -319.259 -58.5292 80.0727 -126.103 80.0738 -162.936 GPRESSURE: 4461800 -196.583 -200.283 -35.3042 -316.978 -25.1402 -10.4843 -111.419 92.008 -107.818 PRESSAVG: 4461800 41.0349 39.07 -18.6328 39.0701 -8.31273 19.9765 -18.6327 19.9764 -9.38765 GPRESSAVG: 4461800 40.36 40.194 -18.6172 38.924 -8.47526 21.4058 -15.3179 18.7933 -8.30186 TIMING: 4461800 CPU: 13404, 0.00295152/step Wall: 13404, 0.00295152/step, 0.441252 hours remaining, 210.074219 MB of memory in use. ENERGY: 4461800 727.4411 2178.3098 1933.9939 101.3736 -206346.3476 17561.1633 0.0000 0.0000 34285.8223 -149558.2435 299.4266 -183844.0658 -149455.9651 299.4591 -142.2658 -109.8472 557642.5975 7.7782 7.8610 PRESSURE: 4462000 276.306 141.403 -85.8127 141.403 259.544 49.362 -85.8127 49.3638 -1.49829 GPRESSURE: 4462000 327.094 63.1454 -79.2483 155.136 275.989 -12.3148 -74.7672 42.6471 17.5232 PRESSAVG: 4462000 13.4603 4.7838 -77.0532 4.78386 -58.2018 17.8681 -77.0533 17.8682 46.3048 GPRESSAVG: 4462000 14.0007 3.0698 -76.9098 7.29643 -57.8168 18.3498 -77.4624 18.9374 44.6176 TIMING: 4462000 CPU: 13404.6, 0.00294677/step Wall: 13404.6, 0.00294677/step, 0.440378 hours remaining, 210.074219 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: 4462000 737.8922 2148.9075 1939.7046 109.0555 -206736.2671 18147.1864 0.0000 0.0000 33948.3414 -149705.1796 296.4793 -183653.5211 -149612.6732 298.4891 178.1174 206.8686 555645.0236 0.5211 0.2672 PRESSURE: 4462200 30.2151 26.074 21.2562 26.0744 -74.0795 -63.6482 21.2568 -63.6468 30.9524 GPRESSURE: 4462200 104.51 40.6425 4.55023 -15.5535 -56.5618 -45.7331 -30.312 -41.6442 25.0209 PRESSAVG: 4462200 29.1644 40.6492 -29.7808 40.6493 11.1948 16.1684 -29.7807 16.1685 -26.0776 GPRESSAVG: 4462200 27.3356 44.3782 -29.629 37.4621 10.7805 14.868 -31.5282 17.3961 -24.0667 TIMING: 4462200 CPU: 13405.2, 0.00298977/step Wall: 13405.2, 0.00298977/step, 0.446639 hours remaining, 210.074219 MB of memory in use. ENERGY: 4462200 746.5004 2133.0813 1949.4575 106.1885 -206455.1494 17801.1970 0.0000 0.0000 34140.0520 -149578.6726 298.1536 -183718.7246 -149492.4845 298.1889 -4.3040 24.3229 556907.2977 4.7605 4.6831 PRESSURE: 4462400 233.523 12.1419 -14.0649 12.1425 -69.1195 45.7801 -14.0631 45.7811 -215.121 GPRESSURE: 4462400 246.844 -13.4424 -23.6802 5.19482 -44.8707 51.1312 30.9254 80.3046 -144.955 PRESSAVG: 4462400 35.2506 60.2401 15.8254 60.2401 32.8216 35.4779 15.8253 35.478 -50.5002 GPRESSAVG: 4462400 35.3137 55.5584 17.1643 62.6096 32.2808 36.7092 17.2746 34.129 -50.453 TIMING: 4462400 CPU: 13405.8, 0.00300097/step Wall: 13405.8, 0.00300097/step, 0.448145 hours remaining, 210.074219 MB of memory in use. ENERGY: 4462400 773.3766 2041.9359 1951.6602 115.3688 -207040.5185 18052.0042 0.0000 0.0000 34411.1868 -149694.9860 300.5215 -184106.1728 -149601.4883 298.4166 -16.9057 19.0058 556115.7107 5.8574 5.7138 PRESSURE: 4462600 4.49038 8.90341 -125.654 8.90327 -18.2617 105.332 -125.654 105.331 102.109 GPRESSURE: 4462600 21.4214 21.0622 -126.274 3.6833 16.4745 89.5455 -126.749 162.348 134.486 PRESSAVG: 4462600 -9.488 26.3195 -34.6699 26.3195 -43.0256 5.67808 -34.6698 5.67804 -40.5277 GPRESSAVG: 4462600 -8.76563 26.2019 -34.3191 26.4708 -43.7686 3.71012 -34.6896 7.21926 -41.1523 TIMING: 4462600 CPU: 13406.4, 0.00300408/step Wall: 13406.4, 0.00300408/step, 0.448443 hours remaining, 210.074219 MB of memory in use. ENERGY: 4462600 732.3230 2137.5687 1942.4785 116.6064 -206485.8005 17803.5968 0.0000 0.0000 34126.1359 -149627.0912 298.0320 -183753.2271 -149525.2794 298.3813 29.4459 57.4607 556181.1339 -31.0138 -31.2288 PRESSURE: 4462800 -105.11 91.9117 100.89 91.9122 212.764 161.419 100.89 161.421 -144.204 GPRESSURE: 4462800 -56.3491 50.4407 91.0603 101.6 204.221 225.395 164.421 79.813 -88.3788 PRESSAVG: 4462800 4.07559 29.927 -3.55949 29.927 -5.85969 -31.7162 -3.55958 -31.7163 -14.0646 GPRESSAVG: 4462800 3.60418 32.1182 -3.67533 28.393 -6.23358 -30.4555 -4.0922 -33.705 -13.352 TIMING: 4462800 CPU: 13407, 0.00299843/step Wall: 13407, 0.00299843/step, 0.447432 hours remaining, 210.074219 MB of memory in use. ENERGY: 4462800 733.5465 2107.8276 1943.7827 114.8610 -206319.6173 17822.7571 0.0000 0.0000 34141.3667 -149455.4757 298.1650 -183596.8424 -149363.3676 298.3124 -12.1834 19.8310 557208.7408 -5.2829 -5.3271 PRESSURE: 4463000 -217.442 24.8364 43.933 24.8375 -193.636 -84.7853 43.9321 -84.7839 -264.065 GPRESSURE: 4463000 -194.186 -63.1344 1.71721 57.6199 -150.118 -42.1428 66.6877 -126.515 -233.727 PRESSAVG: 4463000 7.75024 46.7665 21.7744 46.7664 32.1163 -5.90608 21.7744 -5.90613 -27.8803 GPRESSAVG: 4463000 7.79591 44.3801 20.7256 46.5522 33.3163 -6.36186 20.6978 -7.36203 -29.5384 TIMING: 4463000 CPU: 13407.6, 0.00297615/step Wall: 13407.6, 0.00297615/step, 0.443943 hours remaining, 210.074219 MB of memory in use. ENERGY: 4463000 683.5065 2065.1033 1925.3764 116.6860 -205825.8338 17445.9264 0.0000 0.0000 34202.4735 -149386.7617 298.6987 -183589.2352 -149290.2207 298.7148 -225.0477 -192.6770 558199.3554 3.9954 3.8579 PRESSURE: 4463200 185.741 26.9714 214.556 26.9721 -26.0481 -86.5276 214.555 -86.5283 -239.806 GPRESSURE: 4463200 172.91 118.572 170.688 40.5508 41.3378 -102.422 210.246 -102.401 -203.814 PRESSAVG: 4463200 35.2686 -0.797692 66.4591 -0.797782 -7.1283 -61.3207 66.4591 -61.3206 -44.6515 GPRESSAVG: 4463200 35.5697 0.880714 67.2401 -1.79505 -8.23869 -58.9879 66.8443 -59.4409 -44.1371 TIMING: 4463200 CPU: 13408.2, 0.0029799/step Wall: 13408.2, 0.0029799/step, 0.444336 hours remaining, 210.074219 MB of memory in use. ENERGY: 4463200 728.8007 2062.9743 1898.0923 116.2830 -206216.3369 17820.2610 0.0000 0.0000 34315.8862 -149274.0393 299.6892 -183589.9255 -149179.5604 299.3858 -26.7044 3.4779 558606.2528 -5.5037 -5.6020 PRESSURE: 4463400 -36.5243 100.415 73.757 100.414 -6.99197 -131.421 73.7575 -131.421 -46.2548 GPRESSURE: 4463400 -21.4506 102.412 42.9117 145.196 43.2304 -172.519 53.9969 -129.693 -31.3426 PRESSAVG: 4463400 36.8525 39.7925 1.92884 39.7925 -9.31692 -28.8541 1.92869 -28.8541 -54.9008 GPRESSAVG: 4463400 37.4254 40.3337 0.0573475 42.3153 -8.65572 -29.6055 0.901672 -29.0453 -55.7802 TIMING: 4463400 CPU: 13408.8, 0.00299339/step Wall: 13408.8, 0.00299339/step, 0.446181 hours remaining, 210.074219 MB of memory in use. ENERGY: 4463400 772.2330 2049.2199 1900.3435 118.0602 -206182.5113 17836.9162 0.0000 0.0000 34350.9725 -149154.7660 299.9956 -183505.7385 -149049.0304 299.4999 -29.9237 -3.1876 557277.3277 -9.1217 -9.0035 PRESSURE: 4463600 172.75 -270.833 143.352 -270.833 -83.9377 -38.3184 143.353 -38.3184 49.5378 GPRESSURE: 4463600 166.132 -232.203 145.652 -212.63 -63.9444 -82.6013 196.932 10.1521 132.07 PRESSAVG: 4463600 -23.9093 -52.178 -5.38047 -52.178 12.8474 -20.3587 -5.38049 -20.3587 5.46409 GPRESSAVG: 4463600 -24.9145 -52.447 -4.60191 -52.5044 14.258 -23.1049 -3.73012 -18.2021 4.64139 TIMING: 4463600 CPU: 13409.4, 0.00295826/step Wall: 13409.4, 0.00295826/step, 0.440781 hours remaining, 210.074219 MB of memory in use. ENERGY: 4463600 739.8494 2122.8889 1923.2456 115.9143 -206176.8640 17776.6528 0.0000 0.0000 34481.7949 -149016.5182 301.1381 -183498.3130 -148920.2840 300.0538 46.1169 78.0861 558158.7077 -1.8659 -2.0050 PRESSURE: 4463800 -66.4391 -61.9254 45.6665 -61.9245 -176.568 192.621 45.6648 192.621 269.617 GPRESSURE: 4463800 -13.0123 -44.9288 6.72204 -13.7986 -189.688 150.6 -19.0641 247.197 320.534 PRESSAVG: 4463800 4.0612 15.3901 2.73429 15.3901 -3.74703 71.7616 2.73448 71.7615 -0.131599 GPRESSAVG: 4463800 3.77561 14.9114 1.90451 15.95 -4.87227 73.1438 2.18486 69.2818 0.546151 TIMING: 4463800 CPU: 13410, 0.00299821/step Wall: 13410, 0.00299821/step, 0.446567 hours remaining, 210.074219 MB of memory in use. ENERGY: 4463800 738.9639 2115.8940 1916.7410 118.2429 -206197.2017 17751.0191 0.0000 0.0000 34348.7741 -149207.5667 299.9764 -183556.3409 -149112.9000 300.4106 8.8700 39.2780 558018.8335 0.0609 -0.1835 PRESSURE: 4464000 -140.247 34.3267 -26.9795 34.3263 -157.297 -4.90398 -26.9802 -4.9042 -26.6174 GPRESSURE: 4464000 -80.5024 35.6208 -17.7503 35.5261 -151.65 -7.91852 -72.3205 53.8206 8.82147 PRESSAVG: 4464000 -21.1751 -3.05298 15.1962 -3.05298 -12.2751 48.1047 15.1962 48.1047 44.2882 GPRESSAVG: 4464000 -20.7551 -3.60672 18.012 -1.91481 -12.4087 47.578 13.7512 47.468 44.3875 TIMING: 4464000 CPU: 13410.6, 0.00299155/step Wall: 13410.6, 0.00299155/step, 0.445409 hours remaining, 210.074219 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: 4464000 752.3364 2108.1043 1938.8051 113.6209 -205671.4669 17473.1641 0.0000 0.0000 34205.1750 -149080.2612 298.7223 -183285.4362 -148981.9337 299.6215 -108.0538 -74.4436 557787.6261 3.6127 3.7412 PRESSURE: 4464200 60.643 89.9648 -34.3284 89.9651 -159.786 83.3478 -34.3278 83.3486 -28.8965 GPRESSURE: 4464200 76.8032 94.8229 -49.4337 113.843 -81.0009 25.3407 -74.5826 119.621 -30.5482 PRESSAVG: 4464200 24.7855 4.70791 -86.2098 4.70797 -50.2592 9.82219 -86.2099 9.82213 -3.36603 GPRESSAVG: 4464200 25.4981 5.77579 -86.7863 2.97985 -50.0395 11.2111 -86.6293 10.8675 -4.50773 TIMING: 4464200 CPU: 13411.2, 0.00295041/step Wall: 13411.2, 0.00295041/step, 0.439119 hours remaining, 210.074219 MB of memory in use. ENERGY: 4464200 745.9801 2112.5172 1930.4105 108.2662 -206172.4652 17874.6298 0.0000 0.0000 34275.0356 -149125.6257 299.3324 -183400.6613 -149031.7611 300.1964 -42.6799 -11.5820 557759.9848 -9.6132 -9.6830 LDB: ============= START OF LOAD BALANCING ============== 13414.7 LDB: ============== END OF LOAD BALANCING =============== 13414.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13414.7 LDB: ============= START OF LOAD BALANCING ============== 13415 LDB: Largest compute 4773 load 0.026591 is 22.5% of average load 0.118087 LDB: Average compute 0.001740 is 1.5% of average load 0.118087 LDB: TIME 13415 LOAD: AVG 0.118087 MAX 0.207378 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.465 MB LDB: TIME 13415 LOAD: AVG 0.118087 MAX 0.207378 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.668 MB LDB: TIME 13415 LOAD: AVG 0.118087 MAX 0.207378 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.668 MB LDB: ============== END OF LOAD BALANCING =============== 13415 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13415 PRESSURE: 4464400 35.7841 -102.106 -43.8185 -102.106 -78.5081 45.6544 -43.8194 45.6546 -38.8269 GPRESSURE: 4464400 30.2759 -25.4445 -65.1949 -159.658 -21.8232 12.9465 -72.6728 77.0759 4.76786 PRESSAVG: 4464400 23.2978 16.7772 -17.6702 16.7772 15.3537 2.98691 -17.6702 2.98689 -57.8564 GPRESSAVG: 4464400 22.4693 17.9235 -18.6628 16.2509 15.3761 2.28071 -18.1132 3.78565 -56.7695 TIMING: 4464400 CPU: 13411.8, 0.0030372/step Wall: 13411.8, 0.0030372/step, 0.451867 hours remaining, 211.343750 MB of memory in use. ENERGY: 4464400 751.8218 2099.8245 1921.4001 106.1242 -206314.4214 17797.2539 0.0000 0.0000 34276.3086 -149361.6883 299.3435 -183637.9969 -149266.2193 299.2888 -27.1836 4.4069 557822.0437 -6.4016 -6.3081 PRESSURE: 4464600 -52.2311 -103.182 -16.8113 -103.182 -152.181 -23.1405 -16.8123 -23.1394 -86.2669 GPRESSURE: 4464600 -55.2687 -76.7774 -28.8021 -72.359 -122.475 -68.7081 42.1945 28.7685 -13.27 PRESSAVG: 4464600 16.883 -21.8397 -34.6624 -21.8397 -40.1465 1.69675 -34.6624 1.69663 10.9717 GPRESSAVG: 4464600 17.7098 -23.6209 -35.1378 -20.4096 -40.0583 0.805679 -32.3791 1.70836 10.4077 TIMING: 4464600 CPU: 13412.4, 0.00298646/step Wall: 13412.4, 0.00298646/step, 0.444153 hours remaining, 211.414062 MB of memory in use. ENERGY: 4464600 771.1304 2099.9468 1933.2041 116.1475 -206038.7898 17838.8709 0.0000 0.0000 34117.9973 -149161.4927 297.9610 -183279.4900 -149067.2267 298.9922 -96.8930 -63.6712 559292.1848 -4.0973 -3.9803 PRESSURE: 4464800 -55.8582 -67.8759 -78.798 -67.8766 -149.638 115.304 -78.7979 115.304 77.2139 GPRESSURE: 4464800 -15.0707 -159.071 -107.948 -49.9399 -108.067 32.1526 -36.4789 92.1132 86.7012 PRESSAVG: 4464800 26.8386 50.3734 -17.3731 50.3734 9.64085 -12.5029 -17.373 -12.5027 14.2646 GPRESSAVG: 4464800 27.0017 51.0787 -17.9147 48.3248 9.84434 -10.559 -14.5175 -13.7187 14.1406 TIMING: 4464800 CPU: 13413, 0.00297123/step Wall: 13413, 0.00297123/step, 0.441723 hours remaining, 211.414062 MB of memory in use. ENERGY: 4464800 736.3188 2074.1173 1940.7366 106.2494 -206021.2249 17779.7416 0.0000 0.0000 34242.7791 -149141.2820 299.0507 -183384.0611 -149045.1347 299.5290 -42.7608 -12.1455 557798.3398 16.9147 16.9956 PRESSURE: 4465000 -161.174 -177.63 170.749 -177.63 -205.805 15.3922 170.749 15.3928 -113.223 GPRESSURE: 4465000 -197.03 -211.715 169.763 -154.104 -167.49 18.7955 156.426 0.338422 -29.3985 PRESSAVG: 4465000 12.0672 34.5436 20.3838 34.5436 -27.9279 33.5582 20.3839 33.5583 22.1562 GPRESSAVG: 4465000 11.9564 33.4231 21.5784 35.5597 -28.6855 30.0253 17.5461 35.6978 22.9253 TIMING: 4465000 CPU: 13413.5, 0.00294659/step Wall: 13413.5, 0.00294659/step, 0.437896 hours remaining, 211.414062 MB of memory in use. ENERGY: 4465000 735.8038 2136.8217 1962.7603 110.4226 -205899.9400 17479.1457 0.0000 0.0000 34180.2322 -149294.7538 298.5045 -183474.9860 -149205.2687 299.6436 -160.0677 -131.3063 558146.7784 2.0985 2.0654 PRESSURE: 4465200 -108.322 9.00604 -3.06334 9.00706 -137.497 -1.4664 -3.06238 -1.46547 -25.5661 GPRESSURE: 4465200 -162.877 32.0886 24.6344 -0.806429 -81.316 110.159 73.6956 -112.82 69.746 PRESSAVG: 4465200 -7.77935 -15.6123 -36.3814 -15.6122 -30.0384 -82.1599 -36.3814 -82.1599 71.2344 GPRESSAVG: 4465200 -9.23361 -13.6358 -35.5089 -16.5119 -29.112 -78.2632 -36.7994 -84.8095 71.9417 TIMING: 4465200 CPU: 13414.1, 0.0029503/step Wall: 13414.1, 0.0029503/step, 0.438283 hours remaining, 211.425781 MB of memory in use. ENERGY: 4465200 732.8235 2094.9506 1954.3068 113.4110 -206174.5064 17665.4540 0.0000 0.0000 34373.5142 -149240.0462 300.1924 -183613.5604 -149144.8580 299.4844 -90.4618 -58.1489 557131.7331 11.1389 11.1987 PRESSURE: 4465400 147.57 -86.0718 98.4581 -86.072 76.1821 -128.484 98.458 -128.484 150.33 GPRESSURE: 4465400 202.304 -88.3997 63.2998 -81.9894 83.9245 29.2006 98.6675 -202.886 198.323 PRESSAVG: 4465400 21.2803 -30.3655 27.7666 -30.3655 24.9156 -44.1564 27.7666 -44.1564 -2.05193 GPRESSAVG: 4465400 23.4569 -29.7225 27.1577 -30.2668 23.3676 -46.2657 27.127 -43.7561 -3.22712 TIMING: 4465400 CPU: 13414.7, 0.00295071/step Wall: 13414.7, 0.00295071/step, 0.438181 hours remaining, 211.425781 MB of memory in use. ENERGY: 4465400 758.5996 2080.5821 1958.9766 126.7948 -206589.2982 18199.5515 0.0000 0.0000 34323.4299 -149141.3636 299.7551 -183464.7935 -149035.5415 299.1410 124.6941 161.5173 557569.1668 14.7147 14.5324 PRESSURE: 4465600 71.2393 -82.6268 92.1819 -82.6255 6.86478 -37.1679 92.18 -37.1672 -477.388 GPRESSURE: 4465600 120.218 0.902027 129.456 -75.5074 -9.77434 2.44864 58.052 -58.1335 -406.828 PRESSAVG: 4465600 -20.9878 10.2619 60.4541 10.2619 -5.60512 -29.2031 60.4541 -29.203 47.5226 GPRESSAVG: 4465600 -21.6981 9.96867 62.6122 10.8394 -4.38458 -27.4535 59.0676 -30.2017 47.2852 TIMING: 4465600 CPU: 13415.3, 0.00296006/step Wall: 13415.3, 0.00296006/step, 0.439404 hours remaining, 211.425781 MB of memory in use. ENERGY: 4465600 736.9028 2153.7223 1920.3829 119.0062 -205856.3297 17684.3990 0.0000 0.0000 34173.1956 -149068.7210 298.4430 -183241.9166 -148970.7916 299.9100 -133.0946 -98.7948 559141.6380 6.9766 7.0675 PRESSURE: 4465800 -246.954 207.303 -149.284 207.302 -324.095 -56.7622 -149.284 -56.7641 321.91 GPRESSURE: 4465800 -237.954 136.061 -137.373 167.988 -241.292 4.936 -75.2063 -35.9949 330.476 PRESSAVG: 4465800 -4.75928 -5.94633 -15.7068 -5.9464 6.69667 -5.75139 -15.7067 -5.75148 -19.1841 GPRESSAVG: 4465800 -5.74537 -8.18422 -16.7636 -5.42612 7.65405 -6.10486 -15.9757 -4.82325 -19.2923 TIMING: 4465800 CPU: 13415.9, 0.00296623/step Wall: 13415.9, 0.00296623/step, 0.440156 hours remaining, 211.425781 MB of memory in use. ENERGY: 4465800 756.3528 2152.6534 1945.7054 106.1875 -206003.5443 17712.6844 0.0000 0.0000 34239.7562 -149090.2047 299.0243 -183329.9609 -148997.1266 299.9933 -83.0462 -49.5902 557858.8468 -5.7489 -5.7945 PRESSURE: 4466000 -147.42 -7.83565 -268.328 -7.836 13.404 -0.952422 -268.328 -0.953915 93.5282 GPRESSURE: 4466000 -78.326 -6.29471 -360.121 -44.3916 31.0347 -26.5304 -166.571 47.3098 110.597 PRESSAVG: 4466000 -59.5108 63.6191 -96.7303 63.6191 -40.5322 -11.171 -96.7305 -11.171 11.6405 GPRESSAVG: 4466000 -60.0482 65.5259 -97.5387 63.1566 -41.2405 -12.4245 -94.2336 -9.27443 12.711 TIMING: 4466000 CPU: 13416.5, 0.00296412/step Wall: 13416.5, 0.00296412/step, 0.439677 hours remaining, 211.425781 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: 4466000 742.2438 2128.2842 1919.3145 113.9565 -205928.7398 17768.3916 0.0000 0.0000 34005.3374 -149251.2118 296.9771 -183256.5492 -149158.0895 299.4790 -13.4959 21.1020 557750.1605 -29.4675 -29.5259 PRESSURE: 4466200 54.4282 -43.2797 62.8272 -43.2795 15.1311 -100.445 62.827 -100.445 27.8218 GPRESSURE: 4466200 54.5134 -54.999 31.7699 -69.0841 64.0027 5.35765 41.977 -97.1851 60.7844 PRESSAVG: 4466200 -62.0758 -34.9734 -41.9416 -34.9734 7.89195 14.8568 -41.9415 14.8569 42.9743 GPRESSAVG: 4466200 -62.6292 -37.1473 -41.1489 -34.7149 7.09827 15.4893 -44.3655 14.0468 43.2859 TIMING: 4466200 CPU: 13417.1, 0.00297113/step Wall: 13417.1, 0.00297113/step, 0.440553 hours remaining, 211.425781 MB of memory in use. ENERGY: 4466200 807.7972 2088.5554 1948.3499 119.0128 -206421.7500 17943.6147 0.0000 0.0000 34217.2164 -149297.2036 298.8275 -183514.4200 -149199.4243 299.0117 32.4604 59.7668 558586.6424 -3.7365 -4.0817 PRESSURE: 4466400 -74.1233 32.6429 24.0539 32.6424 -233.282 28.8929 24.053 28.8929 -236.758 GPRESSURE: 4466400 -57.1033 9.97699 41.4378 20.503 -198.845 34.5218 -23.5158 18.6727 -193.28 PRESSAVG: 4466400 -12.3607 13.275 -34.1233 13.275 47.8127 -11.1593 -34.1234 -11.1595 -27.6035 GPRESSAVG: 4466400 -11.0281 16.5567 -34.733 10.9171 48.5877 -11.3595 -31.5526 -12.4151 -30.1793 TIMING: 4466400 CPU: 13417.7, 0.00295021/step Wall: 13417.7, 0.00295021/step, 0.437287 hours remaining, 211.425781 MB of memory in use. ENERGY: 4466400 763.8599 2033.8588 1944.6137 112.9250 -206204.3146 17685.0338 0.0000 0.0000 34431.9743 -149232.0490 300.7030 -183664.0233 -149142.3819 299.3856 -181.3877 -149.7429 559212.1073 2.6162 2.4601 PRESSURE: 4466600 55.2546 -6.12152 27.3902 -6.12288 -36.5383 6.44993 27.3898 6.45106 19.5992 GPRESSURE: 4466600 94.7251 26.7397 28.6844 3.07042 8.42186 27.2123 29.9813 11.2119 54.4602 PRESSAVG: 4466600 -0.268768 -6.6235 9.90919 -6.62352 28.5326 10.3249 9.90912 10.325 24.5282 GPRESSAVG: 4466600 -0.364138 -8.36633 9.17404 -3.14725 27.083 9.53703 9.54828 11.5572 26.0174 TIMING: 4466600 CPU: 13418.3, 0.00296879/step Wall: 13418.3, 0.00296879/step, 0.439875 hours remaining, 211.425781 MB of memory in use. ENERGY: 4466600 742.7036 2077.2137 1947.5119 104.5620 -206189.5572 17701.8280 0.0000 0.0000 34325.9839 -149289.7542 299.7774 -183615.7381 -149194.6239 299.5229 12.7718 52.5357 556686.0921 17.5973 17.5788 PRESSURE: 4466800 -72.0774 74.6915 54.0678 74.6906 94.4238 -65.0926 54.0682 -65.0934 144.459 GPRESSURE: 4466800 -101.342 132.127 147.989 -19.4059 152.581 -105.694 32.6448 30.489 208.378 PRESSAVG: 4466800 -8.46616 -1.76444 16.4377 -1.76445 46.8323 -0.107897 16.4376 -0.107863 -3.4741 GPRESSAVG: 4466800 -8.10381 -1.74974 17.6444 -3.99084 46.73 1.45552 14.9074 -0.800601 -4.06028 TIMING: 4466800 CPU: 13418.9, 0.00296536/step Wall: 13418.9, 0.00296536/step, 0.439203 hours remaining, 211.425781 MB of memory in use. ENERGY: 4466800 759.8683 2076.2313 1945.1770 109.4203 -206417.1489 17951.8454 0.0000 0.0000 34398.1290 -149176.4775 300.4074 -183574.6065 -149086.4058 299.4019 55.6016 86.5390 555483.3035 11.6307 11.5220 PRESSURE: 4467000 -41.9173 63.8157 217.922 63.8159 -220.554 -38.038 217.922 -38.0384 -73.2168 GPRESSURE: 4467000 -21.8989 87.4183 197.505 13.9334 -162.769 -4.26913 203.723 -63.7749 -36.3415 PRESSAVG: 4467000 15.9833 -53.8637 35.8917 -53.8636 51.8861 8.11577 35.8918 8.11566 -77.9489 GPRESSAVG: 4467000 15.1315 -53.5864 35.3182 -52.1969 53.3675 6.71528 36.4954 8.69935 -78.4875 TIMING: 4467000 CPU: 13419.5, 0.00296216/step Wall: 13419.5, 0.00296216/step, 0.438564 hours remaining, 211.425781 MB of memory in use. ENERGY: 4467000 743.1880 2061.4420 1938.1839 99.6594 -205599.2802 17460.6068 0.0000 0.0000 34047.4663 -149248.7338 297.3450 -183296.2000 -149151.5245 299.2446 -111.8962 -73.6699 557422.0684 -3.3598 -3.3295 PRESSURE: 4467200 -76.4852 88.7601 -71.5331 88.7605 10.1508 101.659 -71.5341 101.659 -164.672 GPRESSURE: 4467200 27.754 57.4896 20.6788 105.124 38.8105 158.06 -88.4338 80.4257 -203.355 PRESSAVG: 4467200 23.665 35.5191 27.1604 35.5192 -24.8341 50.3892 27.1603 50.3891 -36.9251 GPRESSAVG: 4467200 23.0315 34.9478 26.6361 35.999 -25.8423 50.3243 29.0204 50.3863 -34.8025 TIMING: 4467200 CPU: 13420.1, 0.00294531/step Wall: 13420.1, 0.00294531/step, 0.435906 hours remaining, 211.425781 MB of memory in use. ENERGY: 4467200 734.8400 2064.8781 1936.7864 100.9070 -206075.1225 17796.5384 0.0000 0.0000 34339.8712 -149101.3015 299.8986 -183441.1727 -149000.4156 299.2356 -77.0022 -45.5968 558237.6454 -12.6980 -12.5378 PRESSURE: 4467400 62.9099 19.2446 62.8326 19.2456 -36.2026 -27.5694 62.8325 -27.5693 240.554 GPRESSURE: 4467400 86.6464 31.1324 -32.7885 1.66216 21.9417 -19.0691 33.4777 3.77777 260.679 PRESSAVG: 4467400 -41.9412 26.7634 60.8709 26.7634 -16.4575 58.4973 60.8709 58.4973 29.899 GPRESSAVG: 4467400 -40.4287 29.3368 62.436 24.7737 -16.4118 58.0373 58.9868 58.0249 28.3756 TIMING: 4467400 CPU: 13420.6, 0.00295265/step Wall: 13420.6, 0.00295265/step, 0.436828 hours remaining, 211.425781 MB of memory in use. ENERGY: 4467400 753.2737 2062.5956 1933.6370 111.7297 -206254.0842 18062.4217 0.0000 0.0000 34324.3320 -149006.0946 299.7629 -183330.4266 -148915.9234 299.8614 89.0870 123.0891 558138.2383 -9.4999 -9.4883 PRESSURE: 4467600 -205.752 35.0168 71.1569 35.0158 -186.793 -53.3827 71.1568 -53.3836 -135.195 GPRESSURE: 4467600 -131.198 -7.19351 -4.92689 59.814 -146.575 -32.7818 88.4769 -30.8342 -159.419 PRESSAVG: 4467600 -11.6116 23.3892 -40.5599 23.3892 -9.85216 -14.6666 -40.56 -14.6667 -10.1328 GPRESSAVG: 4467600 -11.2824 20.7572 -43.1215 26.9753 -10.1278 -13.9618 -39.9372 -14.9925 -9.6889 TIMING: 4467600 CPU: 13421.2, 0.00297754/step Wall: 13421.2, 0.00297754/step, 0.440345 hours remaining, 211.628906 MB of memory in use. ENERGY: 4467600 740.1867 2076.2431 1915.8056 108.3262 -205652.7337 17398.8879 0.0000 0.0000 34338.0973 -149075.1870 299.8831 -183413.2843 -148970.4393 300.0877 -175.9134 -145.7307 557722.9978 -10.5322 -10.3663 PRESSURE: 4467800 136.526 -12.1516 67.7459 -12.1503 -344.836 -90.3776 67.7459 -90.3783 9.50973 GPRESSURE: 4467800 152.42 -3.97163 107.721 3.07081 -248.108 -136.737 62.7494 -44.0015 0.77839 PRESSAVG: 4467800 -33.9371 -40.7812 28.0938 -40.7812 -24.981 -30.202 28.0937 -30.2021 33.779 GPRESSAVG: 4467800 -34.0503 -40.1556 28.9684 -43.299 -23.1895 -29.6281 28.9209 -30.4803 32.1211 TIMING: 4467800 CPU: 13421.8, 0.00300445/step Wall: 13421.8, 0.00300445/step, 0.444159 hours remaining, 211.628906 MB of memory in use. ENERGY: 4467800 726.7104 2065.5643 1940.6070 119.0661 -205844.1610 17581.3673 0.0000 0.0000 34371.8248 -149039.0210 300.1777 -183410.8458 -148937.7045 300.1047 -66.2665 -31.6366 556221.7939 -8.3797 -8.3729 PRESSURE: 4468000 -113.061 -156.975 15.1718 -156.976 -127.915 -29.2662 15.1717 -29.2664 -401.772 GPRESSURE: 4468000 -58.3721 -57.3678 27.1031 -217.035 -111.202 16.967 25.9932 -54.7435 -361.127 PRESSAVG: 4468000 48.1061 18.6873 -12.5159 18.6873 28.9227 -16.0376 -12.5159 -16.0376 -102.891 GPRESSAVG: 4468000 47.5083 18.3284 -11.2393 19.8109 27.975 -14.8098 -14.5531 -15.9712 -101.451 TIMING: 4468000 CPU: 13422.4, 0.00301016/step Wall: 13422.4, 0.00301016/step, 0.444835 hours remaining, 211.628906 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: 4468000 759.8506 2085.9818 1949.6414 120.1052 -205464.2541 17296.8283 0.0000 0.0000 34160.6187 -149091.2280 298.3332 -183251.8467 -148992.9033 299.7221 -214.2491 -176.9003 556147.8079 -8.6209 -8.6561 PRESSURE: 4468200 -175.207 -22.796 124.458 -22.7947 -182.195 164.773 124.458 164.772 -187.698 GPRESSURE: 4468200 -150.225 -48.9442 115.462 -36.9472 -129.88 210.893 171.75 93.036 -166.41 PRESSAVG: 4468200 -37.6074 -23.8248 31.7737 -23.8249 27.3004 -27.5944 31.7738 -27.5943 22.1082 GPRESSAVG: 4468200 -37.8595 -22.228 33.4676 -23.8171 27.3013 -28.304 32.5092 -26.9244 21.7654 TIMING: 4468200 CPU: 13423, 0.00299524/step Wall: 13423, 0.00299524/step, 0.442463 hours remaining, 211.628906 MB of memory in use. ENERGY: 4468200 737.1170 2061.4375 1935.5139 123.4136 -205866.0770 17340.6152 0.0000 0.0000 34346.3756 -149321.6043 299.9554 -183667.9799 -149232.2278 299.5882 -181.6997 -148.8384 556375.2667 3.9337 3.7357 LDB: ============= START OF LOAD BALANCING ============== 13426.6 LDB: ============== END OF LOAD BALANCING =============== 13426.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13426.6 LDB: ============= START OF LOAD BALANCING ============== 13426.9 LDB: Largest compute 4773 load 0.025701 is 21.8% of average load 0.118069 LDB: Average compute 0.001734 is 1.5% of average load 0.118069 LDB: TIME 13426.9 LOAD: AVG 0.118069 MAX 0.209639 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.805 MB LDB: TIME 13426.9 LOAD: AVG 0.118069 MAX 0.209639 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.91 MB LDB: TIME 13426.9 LOAD: AVG 0.118069 MAX 0.209639 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.91 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13426.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13426.9 PRESSURE: 4468400 -220.278 103.173 35.4362 103.175 -18.3824 110.121 35.436 110.122 189.981 GPRESSURE: 4468400 -201.908 109.644 73.3925 98.3674 66.8575 38.0154 -2.59895 111.776 186.387 PRESSAVG: 4468400 -19.2834 -5.63943 1.59136 -5.63943 2.29224 57.3144 1.59138 57.3143 30.7536 GPRESSAVG: 4468400 -19.3064 -4.29435 -1.9396 -7.83838 2.00355 55.9596 2.84972 56.5539 30.6944 TIMING: 4468400 CPU: 13423.6, 0.00302682/step Wall: 13423.6, 0.00302682/step, 0.44696 hours remaining, 209.089844 MB of memory in use. ENERGY: 4468400 725.0797 2084.6875 1956.5260 124.0521 -205811.8444 17642.9435 0.0000 0.0000 34091.8013 -149186.7542 297.7322 -183278.5555 -149087.7784 299.1222 -16.2265 17.1121 556165.8589 4.5875 4.4639 PRESSURE: 4468600 -86.9739 -33.3214 -163.423 -33.323 -11.4996 23.6338 -163.424 23.6332 -78.58 GPRESSURE: 4468600 -32.1688 -42.1701 -195.37 -55.8367 2.0196 40.3157 -112.681 124.273 -44.6786 PRESSAVG: 4468600 -19.4578 -25.4898 -26.5224 -25.4897 -0.023273 84.1495 -26.5225 84.1495 16.8666 GPRESSAVG: 4468600 -19.4143 -28.8701 -26.2005 -21.6808 -0.353383 83.9582 -27.4662 85.8615 17.1557 TIMING: 4468600 CPU: 13424.2, 0.00298266/step Wall: 13424.2, 0.00298266/step, 0.440274 hours remaining, 209.292969 MB of memory in use. ENERGY: 4468600 727.4976 2032.3764 1946.2795 113.9880 -205923.5007 17612.4590 0.0000 0.0000 34260.0534 -149230.8468 299.2016 -183490.9002 -149139.8857 299.2377 -59.0178 -24.9426 556979.7645 -0.8715 -0.8707 PRESSURE: 4468800 -279.654 -81.8678 -115.184 -81.8686 -213.881 70.8958 -115.183 70.8984 -163.991 GPRESSURE: 4468800 -187.073 -114.018 -112.863 -106.963 -209.375 -74.3473 -22.955 150.019 -181.166 PRESSAVG: 4468800 69.2774 -12.6457 -16.9198 -12.6457 15.2471 40.3968 -16.9199 40.3967 -41.4146 GPRESSAVG: 4468800 68.8585 -13.1573 -14.9335 -12.0383 16.1369 38.8391 -16.6892 40.3476 -42.3147 TIMING: 4468800 CPU: 13424.9, 0.00302468/step Wall: 13424.9, 0.00302468/step, 0.446309 hours remaining, 209.292969 MB of memory in use. ENERGY: 4468800 746.8083 2069.4450 1946.4312 117.3813 -205948.9340 17593.5457 0.0000 0.0000 34411.3211 -149064.0013 300.5226 -183475.3225 -148971.7955 299.3288 -219.1755 -192.5384 558186.2801 14.3699 14.2269 PRESSURE: 4469000 86.8889 -29.1102 40.5179 -29.1096 -81.4149 -58.0286 40.5186 -58.0283 27.3107 GPRESSURE: 4469000 100.841 0.898212 40.527 -73.7649 -75.5885 -12.4046 68.2467 -79.8957 88.0862 PRESSAVG: 4469000 60.7097 -38.1347 23.8344 -38.1347 -38.6326 40.0903 23.8344 40.0904 -5.42436 GPRESSAVG: 4469000 60.0331 -37.737 24.4255 -40.263 -39.2428 41.5263 23.5896 40.2267 -4.22489 TIMING: 4469000 CPU: 13425.4, 0.00298732/step Wall: 13425.4, 0.00298732/step, 0.440629 hours remaining, 209.292969 MB of memory in use. ENERGY: 4469000 713.0402 2084.4983 1939.9225 108.9217 -206044.8223 17779.1956 0.0000 0.0000 34369.6466 -149049.5974 300.1587 -183419.2440 -148954.5309 300.5335 10.9282 37.7797 557819.8336 5.5509 5.5218 PRESSURE: 4469200 148.859 -93.3407 55.3004 -93.3413 143.116 -113.29 55.3014 -113.289 279.037 GPRESSURE: 4469200 156.642 -134.754 11.4207 -35.4551 199.471 -111.862 95.6326 -38.9011 314.988 PRESSAVG: 4469200 5.62996 4.41369 34.2425 4.41373 -11.8406 67.3135 34.2426 67.3135 35.8323 GPRESSAVG: 4469200 5.55307 7.75527 31.96 4.24419 -12.3952 66.2757 33.9016 68.5604 37.461 TIMING: 4469200 CPU: 13426, 0.00298806/step Wall: 13426, 0.00298806/step, 0.440573 hours remaining, 209.292969 MB of memory in use. ENERGY: 4469200 724.0567 2045.8091 1946.4653 109.4256 -206598.6140 18195.6223 0.0000 0.0000 34455.6070 -149121.6279 300.9094 -183577.2349 -149026.1216 300.2644 190.3371 223.7001 558110.0012 9.8739 10.2063 PRESSURE: 4469400 207.763 23.3213 -5.47924 23.322 58.4129 99.4642 -5.47855 99.4638 12.1066 GPRESSURE: 4469400 206.322 86.2968 21.4815 25.4978 100.974 115.425 9.51141 131.726 65.715 PRESSAVG: 4469400 -60.7193 24.0005 36.1181 24.0005 25.3488 -48.1578 36.1181 -48.1578 -7.01632 GPRESSAVG: 4469400 -61.6045 21.6966 36.7078 24.6752 26.5106 -45.3695 36.9746 -48.9605 -6.91352 TIMING: 4469400 CPU: 13426.6, 0.00301456/step Wall: 13426.6, 0.00301456/step, 0.444313 hours remaining, 209.292969 MB of memory in use. ENERGY: 4469400 724.7976 2047.8015 1924.8697 103.3366 -206393.7551 17970.7258 0.0000 0.0000 34395.2379 -149226.9860 300.3822 -183622.2239 -149124.6411 298.7745 92.7609 124.3370 556818.3153 -14.1289 -14.0025 PRESSURE: 4469600 36.3217 102.311 -114.674 102.311 -5.28697 -115.159 -114.674 -115.161 198.544 GPRESSURE: 4469600 52.4359 126.289 -30.6041 58.8416 31.9262 -58.0731 -24.1376 -204.126 245.253 PRESSAVG: 4469600 -13.9791 -31.0787 -18.4171 -31.0788 3.41563 -4.197 -18.4172 -4.19703 18.0034 GPRESSAVG: 4469600 -13.6623 -30.4146 -18.3444 -32.9387 4.57547 -4.76123 -18.557 -3.66334 16.7262 TIMING: 4469600 CPU: 13427.2, 0.00299105/step Wall: 13427.2, 0.00299105/step, 0.440681 hours remaining, 209.292969 MB of memory in use. ENERGY: 4469600 728.7091 2088.8344 1952.6016 113.6571 -206022.3848 17840.0721 0.0000 0.0000 34115.7194 -149182.7910 297.9411 -183298.5104 -149094.7361 298.7372 76.5263 109.8718 557888.1656 2.4800 2.5465 PRESSURE: 4469800 -86.0458 6.25912 -77.9516 6.25987 180.286 207.19 -77.9515 207.191 -158.024 GPRESSURE: 4469800 -59.0884 -8.96983 3.34223 -36.9082 191.488 184.321 -134.896 224.989 -101.952 PRESSAVG: 4469800 -26.6007 34.2023 7.88683 34.2023 12.6006 1.98274 7.88677 1.98269 19.2145 GPRESSAVG: 4469800 -26.6062 34.6472 10.0726 34.8491 11.7773 1.91645 6.17203 -0.330615 19.4876 TIMING: 4469800 CPU: 13427.8, 0.00296857/step Wall: 13427.8, 0.00296857/step, 0.437205 hours remaining, 209.292969 MB of memory in use. ENERGY: 4469800 705.3887 2027.0676 1943.2940 102.9226 -206084.6983 17795.9486 0.0000 0.0000 34336.1036 -149173.9732 299.8657 -183510.0768 -149068.6829 299.4277 -21.2613 10.1492 557256.7346 1.7381 1.5529 PRESSURE: 4470000 16.0465 249.766 -106.233 249.765 219.242 -60.3493 -106.233 -60.3496 28.0897 GPRESSURE: 4470000 62.371 272.995 -99.716 212.833 234.04 -49.8036 1.72784 -56.0682 57.5441 PRESSAVG: 4470000 1.46883 25.5955 4.68298 25.5956 8.21383 25.1298 4.68308 25.1297 -35.9101 GPRESSAVG: 4470000 2.1689 25.6781 2.87289 23.5856 8.33767 25.8555 4.5203 26.2085 -36.1293 TIMING: 4470000 CPU: 13428.4, 0.00296912/step Wall: 13428.4, 0.00296912/step, 0.43712 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: 4470000 705.8914 2106.7227 1926.9190 106.3282 -206042.7562 17744.0184 0.0000 0.0000 34204.6434 -149248.2331 298.7177 -183452.8765 -149151.4770 299.2352 87.7928 117.9850 556627.6641 -8.7425 -8.5409 PRESSURE: 4470200 -193.452 4.7892 22.7805 4.78963 -231.633 -66.2047 22.7792 -66.203 2.9632 GPRESSURE: 4470200 -188.828 37.1339 -8.74832 37.6084 -236.095 -1.35029 86.7622 -62.8686 111.482 PRESSAVG: 4470200 12.3133 68.0059 -64.2259 68.0059 -19.7021 -0.336961 -64.2259 -0.336913 17.4439 GPRESSAVG: 4470200 12.0926 66.3928 -64.9789 70.602 -19.3146 -2.21091 -64.4361 -0.684787 17.3724 TIMING: 4470200 CPU: 13429, 0.00299224/step Wall: 13429, 0.00299224/step, 0.440359 hours remaining, 209.292969 MB of memory in use. ENERGY: 4470200 728.0705 2114.2278 1958.2517 112.8826 -206312.1769 17619.6230 0.0000 0.0000 34435.6693 -149343.4519 300.7353 -183779.1212 -149244.6544 299.4799 -140.7072 -104.4801 557506.5083 3.3517 3.3835 PRESSURE: 4470400 -176.016 -0.474178 -125.061 -0.472645 -134.698 69.5004 -125.061 69.4999 -231.065 GPRESSURE: 4470400 -213.853 55.8048 -0.413335 9.15744 -116.343 128.035 -246.272 102.86 -123.165 PRESSAVG: 4470400 -32.0266 16.258 -0.00947188 16.258 6.51781 -46.3002 -0.00945348 -46.3002 39.8079 GPRESSAVG: 4470400 -31.3394 18.4233 -1.01553 14.8826 6.18501 -44.1592 1.00901 -47.2797 39.8932 TIMING: 4470400 CPU: 13429.6, 0.00296575/step Wall: 13429.6, 0.00296575/step, 0.436294 hours remaining, 209.292969 MB of memory in use. ENERGY: 4470400 740.0242 2121.1220 1954.2176 111.9768 -206486.6809 17843.1448 0.0000 0.0000 34443.1290 -149273.0666 300.8004 -183716.1956 -149171.4449 299.9943 -180.5932 -151.1204 557925.0382 4.7664 4.9129 PRESSURE: 4470600 92.4798 40.5648 4.83529 40.5647 113.689 145.537 4.83502 145.537 54.1076 GPRESSURE: 4470600 120.929 85.1091 16.0717 -36.4006 182.451 96.8001 33.5475 128.84 52.7919 PRESSAVG: 4470600 -11.977 -11.0948 -4.40687 -11.0949 14.1507 -44.2693 -4.40689 -44.2693 -37.2852 GPRESSAVG: 4470600 -12.627 -11.9461 -2.3869 -9.41161 13.6994 -46.185 -6.09205 -44.2664 -36.3261 TIMING: 4470600 CPU: 13430.2, 0.00294277/step Wall: 13430.2, 0.00294277/step, 0.43275 hours remaining, 209.292969 MB of memory in use. ENERGY: 4470600 724.4913 2115.5491 1949.4529 122.0225 -206389.0820 17945.2814 0.0000 0.0000 34348.3390 -149183.9457 299.9726 -183532.2847 -149082.2505 298.9839 86.7587 118.7238 556137.7144 -11.7039 -11.7512 PRESSURE: 4470800 -162.399 77.9412 100.183 77.9412 76.9299 -100.459 100.184 -100.458 -69.046 GPRESSURE: 4470800 -71.9823 75.6936 86.7971 49.6388 79.6639 -127.469 70.3082 -133.562 -72.8868 PRESSAVG: 4470800 -28.0627 21.7985 25.1538 21.7985 16.2919 -18.317 25.1539 -18.3169 28.1036 GPRESSAVG: 4470800 -28.1367 21.668 23.4384 21.9173 16.9246 -16.9023 27.65 -18.376 27.8361 TIMING: 4470800 CPU: 13430.8, 0.00296317/step Wall: 13430.8, 0.00296317/step, 0.435586 hours remaining, 209.292969 MB of memory in use. ENERGY: 4470800 767.6060 2054.1748 1983.1326 103.3051 -206277.8272 17980.2595 0.0000 0.0000 34178.9577 -149210.3915 298.4933 -183389.3492 -149113.6055 299.8826 -51.5049 -21.7351 558627.6072 5.4443 5.5413 PRESSURE: 4471000 -65.9364 -32.6031 -44.1781 -32.6026 -144.865 143.452 -44.1786 143.452 -52.3391 GPRESSURE: 4471000 -5.55587 -81.6036 -34.7129 -53.9099 -126.373 145.984 24.0762 74.9046 -28.0495 PRESSAVG: 4471000 -8.00263 18.9516 50.2968 18.9516 54.1297 23.1701 50.2968 23.1701 -39.4394 GPRESSAVG: 4471000 -8.11178 19.8036 50.6659 16.4246 55.604 20.3866 50.0227 25.2336 -40.2718 TIMING: 4471000 CPU: 13431.4, 0.00298458/step Wall: 13431.4, 0.00298458/step, 0.438568 hours remaining, 209.292969 MB of memory in use. ENERGY: 4471000 742.4874 2037.6573 1966.3379 102.5345 -205975.2981 17704.3720 0.0000 0.0000 34220.4802 -149201.4289 298.8560 -183421.9091 -149106.5655 299.1764 -87.7135 -53.3262 557878.3385 2.2292 2.4068 PRESSURE: 4471200 -11.9977 -172.543 18.6656 -172.542 17.4215 102.959 18.6658 102.959 41.3352 GPRESSURE: 4471200 -28.8642 -180.297 31.6446 -109.998 37.4865 96.1126 -21.9103 47.5616 129.599 PRESSAVG: 4471200 -1.27696 -14.1348 52.2039 -14.1347 -25.0783 12.7458 52.2038 12.7458 27.4737 GPRESSAVG: 4471200 -0.150063 -14.8975 54.0855 -12.9984 -27.3783 14.6496 50.7552 10.0623 28.1156 TIMING: 4471200 CPU: 13432, 0.00297479/step Wall: 13432, 0.00297479/step, 0.436964 hours remaining, 209.292969 MB of memory in use. ENERGY: 4471200 726.1510 2078.7840 1985.6381 112.9307 -206138.3959 17848.8941 0.0000 0.0000 34255.2052 -149130.7928 299.1592 -183385.9980 -149033.7077 299.3452 15.5864 46.0739 557275.0727 0.3728 0.1957 PRESSURE: 4471400 30.8868 -117.543 262.155 -117.543 -127.038 -16.5327 262.156 -16.5323 -16.6234 GPRESSURE: 4471400 34.4242 -104.975 328.339 -80.159 -128.175 -19.4926 261.061 -40.4144 83.6498 PRESSAVG: 4471400 1.9173 -26.1318 41.2543 -26.1317 -10.7605 2.23528 41.2543 2.23534 7.49584 GPRESSAVG: 4471400 0.923832 -24.6128 41.0428 -27.3047 -10.1872 0.411446 42.4429 3.42595 8.31328 TIMING: 4471400 CPU: 13432.6, 0.0029637/step Wall: 13432.6, 0.0029637/step, 0.43517 hours remaining, 209.292969 MB of memory in use. ENERGY: 4471400 740.7341 2097.8972 1962.4202 115.7845 -205842.5316 17612.5792 0.0000 0.0000 34278.9744 -149034.1419 299.3668 -183313.1164 -148942.5586 299.7385 -37.5917 -3.3671 556741.4638 -0.4491 -0.3167 PRESSURE: 4471600 5.51083 -79.2665 34.405 -79.2666 -217.671 24.1406 34.4055 24.1418 -55.6512 GPRESSURE: 4471600 30.0552 -133.126 -8.67256 -41.623 -167.359 -26.3331 -26.4787 -18.8405 -37.3102 PRESSAVG: 4471600 -12.6595 23.7818 43.0792 23.7819 15.9232 23.753 43.079 23.753 -31.251 GPRESSAVG: 4471600 -11.9491 23.283 42.0181 24.7328 15.7495 25.9978 41.3746 24.0215 -31.6351 TIMING: 4471600 CPU: 13433.2, 0.00296072/step Wall: 13433.2, 0.00296072/step, 0.434568 hours remaining, 209.292969 MB of memory in use. ENERGY: 4471600 775.9459 2087.5674 1969.0885 106.4033 -206063.0841 17669.5917 0.0000 0.0000 34278.4973 -149175.9900 299.3626 -183454.4873 -149073.9467 299.1209 -89.2704 -58.2046 556587.9559 -9.3291 -9.2782 PRESSURE: 4471800 -13.1229 36.2234 -12.7309 36.2242 -23.941 137.18 -12.731 137.179 -172.349 GPRESSURE: 4471800 -23.8526 3.45753 -7.8447 80.4326 -4.51694 204.598 -66.4082 148.931 -81.7349 PRESSAVG: 4471800 27.2696 6.65134 -73.8946 6.65129 -0.525885 39.113 -73.8946 39.113 -15.9036 GPRESSAVG: 4471800 26.4877 3.08561 -73.011 8.30071 0.574953 38.8472 -73.6212 38.1933 -16.7217 TIMING: 4471800 CPU: 13433.8, 0.0029499/step Wall: 13433.8, 0.0029499/step, 0.432816 hours remaining, 209.292969 MB of memory in use. ENERGY: 4471800 767.7120 2076.0818 1918.9592 102.9424 -206006.7812 17692.9036 0.0000 0.0000 34055.4843 -149392.6979 297.4150 -183448.1822 -149296.8232 299.1495 -69.8042 -36.7015 557708.3699 3.6134 3.4470 PRESSURE: 4472000 -181.005 -145.063 40.6211 -145.063 -245.933 13.7805 40.622 13.7799 -33.7 GPRESSURE: 4472000 -139.254 -145.295 36.7953 -94.7242 -205.131 -63.2236 -32.929 133.155 -30.3779 PRESSAVG: 4472000 -4.82072 20.2151 -40.9021 20.2152 51.5737 12.3621 -40.9021 12.362 -34.2643 GPRESSAVG: 4472000 -2.50107 21.0137 -43.272 21.5075 49.7428 10.8433 -39.8022 12.1717 -34.6957 TIMING: 4472000 CPU: 13434.4, 0.00297767/step Wall: 13434.4, 0.00297767/step, 0.436725 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: 4472000 765.9805 2075.2823 1958.3688 109.9790 -206112.7260 17663.1264 0.0000 0.0000 34151.6317 -149388.3574 298.2547 -183539.9891 -149295.0837 298.8760 -153.5460 -124.9208 556343.6189 4.1629 4.1820 PRESSURE: 4472200 -259.513 -3.46276 98.7026 -3.46311 -145.906 30.9224 98.7032 30.9215 -154.417 GPRESSURE: 4472200 -301.961 61.7533 109.775 -32.2517 -92.7579 29.4755 77.0266 45.54 -69.3685 PRESSAVG: 4472200 61.0714 -0.134408 14.447 -0.134402 -33.9684 47.6325 14.447 47.6325 -10.6781 GPRESSAVG: 4472200 60.1006 2.32875 17.3527 -4.42227 -33.146 48.7453 13.815 48.164 -10.1828 TIMING: 4472200 CPU: 13435, 0.00299281/step Wall: 13435, 0.00299281/step, 0.43878 hours remaining, 209.292969 MB of memory in use. ENERGY: 4472200 751.2571 2097.1678 1935.7133 108.2172 -206001.1690 17382.4409 0.0000 0.0000 34249.4114 -149476.9614 299.1086 -183726.3728 -149379.9673 298.8712 -186.6121 -154.6957 556630.5129 5.4750 5.5906 LDB: ============= START OF LOAD BALANCING ============== 13438.5 LDB: ============== END OF LOAD BALANCING =============== 13438.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13438.5 LDB: ============= START OF LOAD BALANCING ============== 13438.8 LDB: Largest compute 4773 load 0.027865 is 23.6% of average load 0.118157 LDB: Average compute 0.001741 is 1.5% of average load 0.118157 LDB: TIME 13438.8 LOAD: AVG 0.118157 MAX 0.206778 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.148 MB LDB: TIME 13438.8 LOAD: AVG 0.118157 MAX 0.206778 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.148 MB LDB: TIME 13438.8 LOAD: AVG 0.118157 MAX 0.206778 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.148 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13438.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13438.8 PRESSURE: 4472400 -241.845 1.57157 -93.1299 1.57145 125.6 28.0535 -93.1287 28.0529 196.839 GPRESSURE: 4472400 -191.26 -23.1751 -62.347 14.5642 175.516 42.905 -147.032 -103.794 199.095 PRESSAVG: 4472400 -19.2785 -15.5996 -12.0792 -15.5996 10.7145 -0.30532 -12.0792 -0.305406 4.96365 GPRESSAVG: 4472400 -18.151 -16.7525 -11.8669 -13.2556 9.45399 -1.78475 -12.9973 -0.826952 4.97981 TIMING: 4472400 CPU: 13435.6, 0.00303091/step Wall: 13435.6, 0.00303091/step, 0.444196 hours remaining, 211.027344 MB of memory in use. ENERGY: 4472400 743.6807 2060.5125 1947.2814 117.3521 -206158.9577 17743.6072 0.0000 0.0000 34138.3552 -149408.1685 298.1387 -183546.5237 -149314.2339 298.0264 26.8648 61.1170 557370.4507 -1.2001 -1.2391 PRESSURE: 4472600 -348.461 43.6019 -67.6314 43.6008 -261.651 184.525 -67.6313 184.525 -97.2352 GPRESSURE: 4472600 -357.155 -4.25291 -34.4916 54.4413 -189.373 152.375 -55.5375 292.606 -64.0652 PRESSAVG: 4472600 -46.804 -23.6836 10.609 -23.6835 -9.47921 43.2544 10.6091 43.2544 16.0471 GPRESSAVG: 4472600 -48.6522 -21.5941 7.55983 -26.8641 -7.8231 44.8113 14.5547 43.2622 16.3212 TIMING: 4472600 CPU: 13436.2, 0.00298011/step Wall: 13436.2, 0.00298011/step, 0.436586 hours remaining, 211.300781 MB of memory in use. ENERGY: 4472600 801.0995 2097.8843 1960.1545 112.6620 -206469.8293 17761.3249 0.0000 0.0000 34273.6346 -149463.0695 299.3202 -183736.7040 -149366.8891 298.9590 -235.7826 -203.5309 558035.7855 -13.4120 -13.3847 PRESSURE: 4472800 -80.122 23.0802 124.837 23.0819 -144.694 -80.3333 124.838 -80.3336 165.96 GPRESSURE: 4472800 -14.5517 61.0979 160.024 15.3134 -147.541 -77.5795 -1.80971 -59.5032 216.328 PRESSAVG: 4472800 -35.1001 -34.2209 46.079 -34.221 -4.56652 24.9075 46.079 24.9077 29.8009 GPRESSAVG: 4472800 -33.0711 -36.1526 48.6451 -30.1924 -6.59216 25.0179 42.3271 25.2956 29.9722 TIMING: 4472800 CPU: 13436.8, 0.00300283/step Wall: 13436.8, 0.00300283/step, 0.439748 hours remaining, 211.300781 MB of memory in use. ENERGY: 4472800 713.6640 2065.1561 1959.5103 119.3883 -206308.5414 17757.0615 0.0000 0.0000 34216.0559 -149477.7053 298.8173 -183693.7611 -149377.0940 299.2877 -19.6186 18.0783 558066.1346 -3.2886 -3.2304 PRESSURE: 4473000 -109.423 83.1964 10.4945 83.1972 148.974 -64.3765 10.4939 -64.3769 3.03712 GPRESSURE: 4473000 -48.8841 61.1011 -31.1483 99.7594 157.896 -92.0196 21.9314 -122.228 24.606 PRESSAVG: 4473000 -9.56008 -21.2063 24.0958 -21.2064 43.5543 -26.8115 24.0958 -26.8116 -38.4991 GPRESSAVG: 4473000 -10.2503 -19.7836 22.0564 -23.0821 44.324 -26.3236 24.9976 -26.7521 -38.5877 TIMING: 4473000 CPU: 13437.4, 0.00297945/step Wall: 13437.4, 0.00297945/step, 0.436159 hours remaining, 211.300781 MB of memory in use. ENERGY: 4473000 706.5090 2079.3380 1961.2496 112.8202 -206226.1478 17814.6107 0.0000 0.0000 34074.9626 -149476.6578 297.5851 -183551.6203 -149381.1875 298.7531 14.1960 44.5392 557840.2533 -1.5016 -1.5047 PRESSURE: 4473200 -104.806 32.0032 -125.122 32.0034 69.5778 46.4652 -125.123 46.4639 -248.337 GPRESSURE: 4473200 -115.835 77.4624 -40.3762 75.0391 91.9851 64.7981 -162.179 22.6686 -180.589 PRESSAVG: 4473200 14.8773 -74.728 63.7987 -74.7279 15.7151 4.7216 63.7987 4.72144 -22.8908 GPRESSAVG: 4473200 15.8294 -76.5068 65.1679 -73.4552 15.896 5.13223 64.0859 6.1799 -23.7299 TIMING: 4473200 CPU: 13438, 0.00296754/step Wall: 13438, 0.00296754/step, 0.43425 hours remaining, 211.300781 MB of memory in use. ENERGY: 4473200 735.2549 2049.2822 1943.9480 112.8595 -206117.1504 17663.2791 0.0000 0.0000 34134.3549 -149478.1718 298.1038 -183612.5267 -149375.7997 298.5875 -94.5217 -68.1464 558361.0598 2.5672 2.6652 PRESSURE: 4473400 -4.77279 4.80676 -100.427 4.80685 -139.406 75.8775 -100.428 75.8781 44.0686 GPRESSURE: 4473400 27.3647 89.0663 -80.1181 -140.183 -198.822 154.56 -82.1835 -14.3446 157.445 PRESSAVG: 4473400 -30.1124 -35.5747 4.71661 -35.5747 -42.7083 5.88858 4.71657 5.8885 35.3623 GPRESSAVG: 4473400 -31.0172 -36.3704 3.49361 -34.5833 -43.0624 4.76906 4.59325 4.40662 36.6711 TIMING: 4473400 CPU: 13438.5, 0.00295175/step Wall: 13438.5, 0.00295175/step, 0.431775 hours remaining, 211.300781 MB of memory in use. ENERGY: 4473400 743.8431 2118.5955 1932.7277 107.3965 -206495.4675 17888.8560 0.0000 0.0000 34261.7362 -149442.3125 299.2163 -183704.0488 -149349.4075 298.3727 -33.3701 -4.6709 556870.1736 -12.4861 -12.4695 PRESSURE: 4473600 89.6238 82.4018 61.3947 82.4012 -1.98054 -83.8977 61.3944 -83.8969 -481.623 GPRESSURE: 4473600 63.4784 73.3729 85.3368 88.773 78.0916 -41.6705 -5.5464 -67.2311 -428.28 PRESSAVG: 4473600 -68.1709 -12.0357 21.6909 -12.0356 8.70853 8.26628 21.6909 8.26639 71.9045 GPRESSAVG: 4473600 -67.2119 -9.08837 22.0162 -14.2987 7.68319 8.83986 20.2828 7.45443 71.6722 TIMING: 4473600 CPU: 13439.1, 0.00294426/step Wall: 13439.1, 0.00294426/step, 0.430516 hours remaining, 211.300781 MB of memory in use. ENERGY: 4473600 751.6316 2083.6633 1966.6148 98.2187 -206084.5333 17603.5793 0.0000 0.0000 34073.5328 -149507.2929 297.5726 -183580.8256 -149404.0189 298.0062 -131.3267 -95.5700 557396.4515 4.1474 4.0478 PRESSURE: 4473800 1.18183 -83.0355 -143.546 -83.0356 -172.603 -13.9065 -143.545 -13.9043 -33.931 GPRESSURE: 4473800 2.92591 -129.059 -84.3058 -70.3315 -132.625 -23.9555 -186.351 25.2391 15.2838 PRESSAVG: 4473800 -23.0294 -45.691 2.34665 -45.6911 76.2252 45.6815 2.34668 45.6815 -56.9622 GPRESSAVG: 4473800 -23.3744 -46.5378 2.98241 -45.6188 76.5026 45.3426 3.63842 45.9785 -56.2701 TIMING: 4473800 CPU: 13439.7, 0.00295301/step Wall: 13439.7, 0.00295301/step, 0.431632 hours remaining, 211.300781 MB of memory in use. ENERGY: 4473800 729.7420 2068.2729 1970.7113 112.2292 -206184.8340 17673.4757 0.0000 0.0000 34201.5576 -149428.8453 298.6907 -183630.4029 -149331.7414 298.3314 -68.4506 -38.1383 557468.4910 -1.2555 -1.0473 PRESSURE: 4474000 51.6321 -111.977 -80.5431 -111.976 -10.8189 24.2924 -80.5418 24.2929 4.12224 GPRESSURE: 4474000 109.829 -165.921 16.8391 -67.143 -38.6198 -72.475 -128.813 36.6952 57.01 PRESSAVG: 4474000 23.3295 -49.5214 -46.8506 -49.5214 2.02336 39.1202 -46.8505 39.1202 7.29779 GPRESSAVG: 4474000 23.1912 -51.1209 -46.1266 -50.0005 2.31292 40.6327 -47.0423 41.4659 6.97482 TIMING: 4474000 CPU: 13440.3, 0.00300912/step Wall: 13440.3, 0.00300912/step, 0.439666 hours remaining, 211.300781 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: 4474000 775.2575 2071.7540 1960.4451 101.4924 -205996.6245 17657.9359 0.0000 0.0000 34102.1772 -149327.5625 297.8228 -183429.7397 -149228.7873 298.2931 14.9785 42.7397 556130.1711 10.8836 10.8263 PRESSURE: 4474200 91.5184 97.6802 22.4706 97.6781 138.003 15.0383 22.4702 15.0383 170.084 GPRESSURE: 4474200 170.314 146.817 37.599 84.8914 120.896 10.8374 -13.6529 118.669 205.304 PRESSAVG: 4474200 13.17 -21.3923 -26.292 -21.3922 -51.5095 -54.9973 -26.2919 -54.9973 -2.02246 GPRESSAVG: 4474200 12.8212 -20.4186 -27.2636 -21.3937 -50.3482 -55.6503 -26.2432 -56.8022 -2.14691 TIMING: 4474200 CPU: 13440.9, 0.00297181/step Wall: 13440.9, 0.00297181/step, 0.434049 hours remaining, 211.300781 MB of memory in use. ENERGY: 4474200 717.7402 2046.9100 1947.6488 107.8507 -206653.0499 18095.0125 0.0000 0.0000 34409.6676 -149328.2201 300.5082 -183737.8877 -149237.0776 298.6476 133.2016 165.5048 556548.3269 -13.4540 -13.2246 PRESSURE: 4474400 -340.205 -30.8975 22.8412 -30.8967 -154.057 56.672 22.8413 56.6711 -404.433 GPRESSURE: 4474400 -327.03 -63.3693 50.5832 8.73062 -142.732 83.8439 -1.25503 10.4728 -335.123 PRESSAVG: 4474400 -28.4 -2.81744 25.5876 -2.81743 -52.2299 -23.1962 25.5877 -23.1962 55.6767 GPRESSAVG: 4474400 -27.754 -5.37086 26.3071 -0.718898 -52.8675 -21.8668 25.2314 -21.9895 55.9589 TIMING: 4474400 CPU: 13441.5, 0.00298846/step Wall: 13441.5, 0.00298846/step, 0.436315 hours remaining, 211.300781 MB of memory in use. ENERGY: 4474400 752.4769 2141.8411 1958.8861 120.3466 -205877.5115 17447.8805 0.0000 0.0000 34187.1622 -149268.9180 298.5650 -183456.0802 -149174.1350 299.2897 -299.5649 -268.2946 559668.9758 -8.3177 -8.2209 PRESSURE: 4474600 -118.762 -98.8903 79.6217 -98.8911 47.0402 -36.993 79.6227 -36.9926 -310.955 GPRESSURE: 4474600 -117.76 -62.9878 176.438 -71.2951 110.805 -87.7892 34.2893 -107.318 -281.425 PRESSAVG: 4474600 134.923 -10.6004 9.10933 -10.6005 -49.1326 -14.6683 9.10944 -14.6683 -26.9299 GPRESSAVG: 4474600 135.217 -9.15516 6.72435 -12.5087 -48.0692 -14.7929 7.71925 -17.1613 -27.7845 TIMING: 4474600 CPU: 13442.1, 0.00299705/step Wall: 13442.1, 0.00299705/step, 0.437403 hours remaining, 211.300781 MB of memory in use. ENERGY: 4474600 752.7204 2067.7443 1954.9280 114.4989 -206052.3942 17573.6093 0.0000 0.0000 34227.6488 -149361.2444 298.9186 -183588.8932 -149268.0769 299.5692 -127.5588 -96.1267 556607.8071 19.6203 19.7879 PRESSURE: 4474800 161.546 -66.7137 -203.825 -66.7155 69.3612 -176.405 -203.824 -176.404 7.62326 GPRESSURE: 4474800 196.054 -68.1119 -265.682 -67.5257 92.256 -172.749 -177.808 -196.146 55.0131 PRESSAVG: 4474800 -0.334427 -25.1797 32.3207 -25.1799 -8.61419 -18.2735 32.3207 -18.2735 45.5033 GPRESSAVG: 4474800 -0.186763 -24.888 33.3207 -23.6618 -9.51004 -19.2016 32.574 -16.0827 45.9565 TIMING: 4474800 CPU: 13442.7, 0.00301609/step Wall: 13442.7, 0.00301609/step, 0.440015 hours remaining, 211.300781 MB of memory in use. ENERGY: 4474800 750.1080 2156.3074 1957.1947 125.4989 -206610.0766 17970.0846 0.0000 0.0000 34211.0097 -149439.8733 298.7733 -183650.8831 -149348.9426 298.6929 79.5100 114.4409 556374.4182 12.1849 12.0866 PRESSURE: 4475000 -25.8582 238.472 70.7417 238.471 -140.622 78.3666 70.743 78.367 34.8911 GPRESSURE: 4475000 -12.6214 234.939 32.0492 177.392 -44.7371 106.784 21.6873 -25.5748 26.9567 PRESSAVG: 4475000 -21.9603 22.1424 -16.1123 22.1424 -32.7122 -12.3469 -16.1122 -12.3469 31.1188 GPRESSAVG: 4475000 -22.7322 22.537 -17.1293 21.9275 -32.0944 -11.0896 -15.1034 -14.5274 31.4152 TIMING: 4475000 CPU: 13443.3, 0.00298611/step Wall: 13443.3, 0.00298611/step, 0.435474 hours remaining, 211.300781 MB of memory in use. ENERGY: 4475000 740.5064 2070.7474 1980.2603 114.0234 -206413.9296 17702.8956 0.0000 0.0000 34277.0372 -149528.4594 299.3499 -183805.4966 -149430.0743 298.4788 -43.8629 -10.1339 556061.0514 -7.8512 -7.8038 PRESSURE: 4475200 16.4106 133.775 -76.7469 133.775 36.4388 -30.0226 -76.7472 -30.0227 78.6321 GPRESSURE: 4475200 46.7307 165.62 -21.4153 99.3107 37.3987 -90.198 -97.3859 49.2284 135.19 PRESSAVG: 4475200 -33.3794 75.8878 6.85482 75.8878 -10.7395 -22.0669 6.85476 -22.0669 45.9821 GPRESSAVG: 4475200 -33.2001 77.1111 8.6363 74.331 -11.0174 -22.0395 6.24063 -21.6892 45.8927 TIMING: 4475200 CPU: 13443.9, 0.00299324/step Wall: 13443.9, 0.00299324/step, 0.436348 hours remaining, 211.300781 MB of memory in use. ENERGY: 4475200 752.5916 2095.8990 1930.4832 100.6184 -205780.0497 17664.1078 0.0000 0.0000 33935.4916 -149300.8581 296.3671 -183236.3497 -149213.4268 298.8753 43.8272 73.1065 556362.7054 0.6211 0.5584 PRESSURE: 4475400 0.849645 -9.51905 -84.0915 -9.51844 -160.824 -39.2282 -84.092 -39.2279 42.4503 GPRESSURE: 4475400 34.4004 28.6467 -84.1273 33.0031 -135.037 -56.9018 -82.1139 -72.6956 86.8029 PRESSAVG: 4475400 -9.99686 -11.848 -43.4249 -11.8481 -58.2804 -33.5204 -43.4249 -33.5205 32.7691 GPRESSAVG: 4475400 -10.749 -12.1798 -43.4991 -10.2002 -57.871 -35.9441 -42.1633 -30.9287 33.024 TIMING: 4475400 CPU: 13444.5, 0.00294089/step Wall: 13444.5, 0.00294089/step, 0.428553 hours remaining, 211.300781 MB of memory in use. ENERGY: 4475400 738.6943 2065.4067 1916.5463 105.8906 -206474.5161 17846.8524 0.0000 0.0000 34501.0267 -149300.0990 301.3060 -183801.1257 -149195.6844 299.2068 -39.1746 -4.6112 556963.4301 -11.8361 -11.8653 PRESSURE: 4475600 -76.3223 67.5595 124.676 67.5584 174.856 66.8162 124.676 66.8159 -105.714 GPRESSURE: 4475600 -14.861 52.316 126.048 40.6942 130.163 -62.6227 104.856 115.959 -27.1386 PRESSAVG: 4475600 -8.11574 19.8833 -20.4039 19.8834 17.5983 15.2155 -20.404 15.2155 10.7615 GPRESSAVG: 4475600 -7.65928 19.3639 -22.1808 20.0982 17.6499 15.4278 -20.6511 15.9572 9.32172 TIMING: 4475600 CPU: 13445.1, 0.00296433/step Wall: 13445.1, 0.00296433/step, 0.431805 hours remaining, 211.300781 MB of memory in use. ENERGY: 4475600 762.9400 2050.7393 1945.7764 108.9578 -206318.4771 17847.4954 0.0000 0.0000 34276.8455 -149325.7227 299.3482 -183602.5682 -149228.5055 299.5628 -2.3935 29.3879 557763.3305 6.7480 6.4374 PRESSURE: 4475800 150.394 95.1701 22.4286 95.1712 -32.6315 -65.2257 22.4292 -65.2245 -52.0581 GPRESSURE: 4475800 138.775 115.112 18.3476 62.6673 34.3179 -57.1403 -31.4454 -138.826 -33.2783 PRESSAVG: 4475800 -19.4335 -15.7679 -18.7591 -15.7679 54.7457 -9.44499 -18.7591 -9.44496 22.0468 GPRESSAVG: 4475800 -20.3996 -19.3932 -16.0161 -14.8495 54.589 -9.63032 -19.375 -10.5484 22.7634 TIMING: 4475800 CPU: 13445.7, 0.00296758/step Wall: 13445.7, 0.00296758/step, 0.432112 hours remaining, 211.300781 MB of memory in use. ENERGY: 4475800 744.4127 2052.1411 1953.6487 109.5336 -206283.9864 17777.9548 0.0000 0.0000 34292.8954 -149353.4001 299.4884 -183646.2955 -149260.9492 299.2273 21.9015 46.6049 556464.3212 19.1197 18.9843 PRESSURE: 4476000 -177.744 65.3344 -32.2175 65.3341 -155.306 201.627 -32.2172 201.628 22.9365 GPRESSURE: 4476000 -136.835 95.4958 -70.9289 48.8542 -136.537 311.879 3.63258 113.809 56.2175 PRESSAVG: 4476000 39.5253 22.6157 -9.89426 22.6157 -2.58417 -71.9007 -9.89419 -71.9009 -56.5041 GPRESSAVG: 4476000 40.0748 26.846 -12.8015 20.5224 -2.20747 -70.3251 -9.16078 -72.1289 -57.6613 TIMING: 4476000 CPU: 13446.3, 0.00295883/step Wall: 13446.3, 0.00295883/step, 0.430673 hours remaining, 211.300781 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: 4476000 740.0110 2117.6826 1936.9170 113.3574 -205939.4267 17618.1377 0.0000 0.0000 34115.4681 -149297.8529 297.9389 -183413.3210 -149198.1916 299.2138 -103.3713 -72.3850 556646.3491 -6.5210 -6.5980 PRESSURE: 4476200 -154.708 -64.719 -88.6965 -64.7193 -324.466 -124.743 -88.6967 -124.742 -104.831 GPRESSURE: 4476200 -153.925 -100.434 -57.3077 -24.1214 -262.286 9.16097 -73.9637 -131.71 -67.9105 PRESSAVG: 4476200 -30.1888 39.0733 2.66956 39.0732 4.90299 -27.0725 2.66957 -27.0725 20.6954 GPRESSAVG: 4476200 -31.8298 38.6263 3.56009 39.6645 3.71395 -28.994 3.19267 -26.6683 23.4919 TIMING: 4476200 CPU: 13446.9, 0.00295433/step Wall: 13446.9, 0.00295433/step, 0.429855 hours remaining, 211.300781 MB of memory in use. ENERGY: 4476200 739.0851 2130.5973 1950.7265 121.3296 -205900.6002 17467.8309 0.0000 0.0000 34227.5233 -149263.5075 298.9175 -183491.0308 -149163.7788 298.8332 -194.6683 -161.3737 557070.0877 -1.5301 -1.5413 LDB: ============= START OF LOAD BALANCING ============== 13450.4 LDB: ============== END OF LOAD BALANCING =============== 13450.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13450.4 LDB: ============= START OF LOAD BALANCING ============== 13450.7 LDB: Largest compute 4773 load 0.026702 is 22.6% of average load 0.118198 LDB: Average compute 0.001743 is 1.5% of average load 0.118198 LDB: TIME 13450.7 LOAD: AVG 0.118198 MAX 0.206293 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.578 MB LDB: TIME 13450.7 LOAD: AVG 0.118198 MAX 0.206293 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.578 MB LDB: TIME 13450.7 LOAD: AVG 0.118198 MAX 0.206293 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.578 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13450.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13450.7 PRESSURE: 4476400 65.7876 17.3472 133.557 17.347 -193.166 -73.5879 133.557 -73.5864 -70.4987 GPRESSURE: 4476400 96.4915 46.1888 127.291 -5.27209 -150.182 -97.4002 85.7659 -19.3427 -34.2401 PRESSAVG: 4476400 22.4485 -11.7469 13.4719 -11.7469 21.6341 -40.2857 13.4719 -40.2856 -39.8239 GPRESSAVG: 4476400 23.2096 -13.3625 15.1119 -13.3559 23.1735 -39.6008 12.614 -42.0053 -42.0981 TIMING: 4476400 CPU: 13447.5, 0.00302516/step Wall: 13447.5, 0.00302516/step, 0.439992 hours remaining, 209.351562 MB of memory in use. ENERGY: 4476400 761.7933 2048.8286 1977.4472 119.3937 -205779.0202 17596.9643 0.0000 0.0000 34270.9302 -149003.6629 299.2966 -183274.5931 -148908.8247 299.0793 -65.9590 -29.3103 557586.2152 1.4196 1.4283 PRESSURE: 4476600 170.085 44.9633 -20.5642 44.963 -129.911 -59.724 -20.5635 -59.7238 291.308 GPRESSURE: 4476600 222.558 73.9412 34.3839 -1.82769 -72.2648 -130.59 10.8049 -28.6332 277.27 PRESSAVG: 4476600 -12.7574 -19.5598 -30.0353 -19.5597 -0.427733 -2.67054 -30.0353 -2.67043 -16.3045 GPRESSAVG: 4476600 -11.8584 -19.6469 -30.5569 -17.564 -2.32735 -3.10618 -29.4851 0.496473 -15.6236 TIMING: 4476600 CPU: 13448.1, 0.002983/step Wall: 13448.1, 0.002983/step, 0.433695 hours remaining, 209.613281 MB of memory in use. ENERGY: 4476600 757.5462 2084.8812 1965.8822 114.3577 -206104.5085 17938.9625 0.0000 0.0000 34131.2721 -149111.6067 298.0769 -183242.8789 -149016.7389 299.3753 110.4939 142.5210 558595.2937 -9.8299 -9.9364 PRESSURE: 4476800 269.752 100.005 -15.8133 100.004 171.342 67.2998 -15.811 67.2995 -145.637 GPRESSURE: 4476800 257.382 185.5 -60.193 91.6921 234.36 115.158 -3.21321 47.6202 -122.142 PRESSAVG: 4476800 31.1746 54.6967 -4.3496 54.6967 -11.4402 -4.43968 -4.34962 -4.43966 27.7023 GPRESSAVG: 4476800 31.0209 54.0191 -6.45579 55.2393 -12.0064 -4.35875 -2.97778 -6.25103 28.0497 TIMING: 4476800 CPU: 13448.7, 0.00297382/step Wall: 13448.7, 0.00297382/step, 0.432195 hours remaining, 209.613281 MB of memory in use. ENERGY: 4476800 701.4629 2133.1902 1937.5083 110.0839 -206234.8614 17994.6270 0.0000 0.0000 34363.9869 -148994.0022 300.1092 -183357.9891 -148898.0499 299.7299 98.4856 123.2001 557427.6891 15.8122 15.6881 PRESSURE: 4477000 -139.189 -48.8241 39.1647 -48.823 375.688 118.872 39.1646 118.871 57.3762 GPRESSURE: 4477000 -59.0668 -19.3327 15.5799 -163.572 362.568 34.3584 5.50463 89.1842 86.0922 PRESSAVG: 4477000 -23.5079 16.3978 -28.1211 16.3978 31.0991 6.27789 -28.1211 6.27788 -0.149516 GPRESSAVG: 4477000 -23.9515 15.5973 -26.5512 15.5832 32.0383 5.65084 -30.3895 4.05691 -0.808342 TIMING: 4477000 CPU: 13449.3, 0.00296958/step Wall: 13449.3, 0.00296958/step, 0.431414 hours remaining, 209.613281 MB of memory in use. ENERGY: 4477000 715.7502 2089.6688 1959.7777 127.5647 -206145.3636 17883.6488 0.0000 0.0000 34260.8681 -149108.0854 299.2087 -183368.9535 -149008.4482 300.1767 97.9585 129.8645 556401.8402 2.4806 2.4262 PRESSURE: 4477200 150.754 21.8817 63.9988 21.8803 -180.159 -0.28527 63.9989 -0.285194 334.861 GPRESSURE: 4477200 159.546 -30.3323 121.002 77.143 -83.9623 51.795 -26.3516 -21.2559 328.639 PRESSAVG: 4477200 -55.1714 -5.04752 59.2621 -5.04755 16.3993 30.4321 59.262 30.4322 9.97865 GPRESSAVG: 4477200 -55.0575 -4.08468 59.5143 -6.04529 17.4565 32.3709 60.4402 31.194 8.38308 TIMING: 4477200 CPU: 13449.9, 0.00296164/step Wall: 13449.9, 0.00296164/step, 0.430096 hours remaining, 209.613281 MB of memory in use. ENERGY: 4477200 725.2187 2084.9335 1950.8846 114.4677 -206605.4373 18162.3397 0.0000 0.0000 34478.5857 -149089.0074 301.1101 -183567.5931 -148996.6511 300.1953 101.8188 134.7407 557421.8027 -9.5978 -9.7393 PRESSURE: 4477400 -97.5905 93.7347 12.637 93.7342 -256.421 -25.479 12.6372 -25.4775 -2.29094 GPRESSURE: 4477400 -128.369 159.587 58.9368 49.5827 -189.868 -109.369 31.418 -2.49487 51.7945 PRESSAVG: 4477400 -0.465753 -29.2668 -46.7306 -29.2666 49.2123 -28.0134 -46.7305 -28.0134 21.745 GPRESSAVG: 4477400 -1.44194 -31.3729 -45.6219 -27.7472 48.6344 -30.1067 -50.087 -26.4785 22.8362 TIMING: 4477400 CPU: 13450.5, 0.00296421/step Wall: 13450.5, 0.00296421/step, 0.430305 hours remaining, 209.613281 MB of memory in use. ENERGY: 4477400 775.0127 2072.9481 1942.0384 113.9483 -206091.4534 17686.6383 0.0000 0.0000 34371.5123 -149129.3553 300.1750 -183500.8676 -149033.7647 299.8931 -118.7673 -88.8143 558505.6568 23.4972 23.3429 PRESSURE: 4477600 -157.757 54.6488 -49.4038 54.6493 -50.3292 -114.337 -49.4035 -114.335 -323.857 GPRESSURE: 4477600 -132.098 128.909 36.365 -58.9008 13.6868 -135.517 -158.014 -14.9262 -312.788 PRESSAVG: 4477600 9.16218 -16.3665 -43.6905 -16.3665 1.30136 -20.8059 -43.6904 -20.8059 -33.9199 GPRESSAVG: 4477600 9.88874 -13.7019 -44.2923 -16.4169 0.673413 -21.0396 -40.7222 -18.9469 -33.7171 TIMING: 4477600 CPU: 13451, 0.00297044/step Wall: 13451, 0.00297044/step, 0.431044 hours remaining, 209.613281 MB of memory in use. ENERGY: 4477600 734.5383 2074.2444 1946.3859 113.0406 -205676.6403 17509.2402 0.0000 0.0000 33948.2098 -149350.9810 296.4782 -183299.1908 -149250.4114 299.1678 -177.3145 -143.7330 559322.1637 -7.8188 -7.7183 PRESSURE: 4477800 -45.6806 -73.0359 -60.5171 -73.0353 43.1107 -106.076 -60.5181 -106.076 -36.2747 GPRESSURE: 4477800 -45.5782 -96.5997 22.4046 -52.7965 100.913 -134.936 -52.6008 -40.37 6.2973 PRESSAVG: 4477800 -40.5292 51.6507 -42.8661 51.6506 17.1439 -12.4266 -42.8662 -12.4266 5.0585 GPRESSAVG: 4477800 -41.3354 49.5846 -42.3136 51.6116 19.1166 -9.04898 -42.5118 -14.7169 3.77389 TIMING: 4477800 CPU: 13451.6, 0.00298731/step Wall: 13451.6, 0.00298731/step, 0.433325 hours remaining, 209.613281 MB of memory in use. ENERGY: 4477800 770.6246 2068.6422 1931.1095 116.0091 -206505.1185 18024.9133 0.0000 0.0000 34352.1853 -149241.6346 300.0062 -183593.8199 -149143.5136 298.8377 -12.9482 20.5439 557877.4630 -6.1089 -6.1483 PRESSURE: 4478000 -154.592 -60.1775 71.5198 -60.1789 -229.815 84.7487 71.5192 84.7488 -219.553 GPRESSURE: 4478000 -74.5709 20.2067 50.4279 -53.0539 -241.296 99.5922 72.3971 61.2794 -193.853 PRESSAVG: 4478000 14.5321 94.4444 6.02431 94.4444 -13.3618 25.4151 6.0242 25.4153 -15.1468 GPRESSAVG: 4478000 14.5226 96.8068 5.24113 94.1069 -14.3182 22.6294 3.71421 25.6717 -14.125 TIMING: 4478000 CPU: 13452.2, 0.00300196/step Wall: 13452.2, 0.00300196/step, 0.435284 hours remaining, 209.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4478000 726.4186 2038.9974 1958.5540 111.8804 -206145.6213 17558.3756 0.0000 0.0000 34233.2768 -149518.1185 298.9677 -183751.3953 -149420.8845 298.6852 -201.3200 -169.9066 558436.4169 -4.6588 -4.6402 PRESSURE: 4478200 -287.298 39.3633 92.8151 39.3636 -134.898 -132.023 92.8152 -132.022 -106.634 GPRESSURE: 4478200 -226.041 -7.82775 133.742 123.647 -112.859 -200.347 127.556 -153.188 -94.7085 PRESSAVG: 4478200 41.5722 52.5394 -7.7253 52.5394 -47.048 9.15583 -7.72531 9.1559 -31.0936 GPRESSAVG: 4478200 42.5908 52.2121 -7.526 53.8794 -46.7518 10.4607 -5.20028 8.05006 -32.3697 TIMING: 4478200 CPU: 13452.8, 0.00296188/step Wall: 13452.8, 0.00296188/step, 0.429308 hours remaining, 209.613281 MB of memory in use. ENERGY: 4478200 756.2188 2078.7207 1957.7184 124.1551 -206122.0678 17679.9899 0.0000 0.0000 34091.5466 -149433.7183 297.7300 -183525.2649 -149334.1390 298.7519 -176.2766 -144.5359 557992.0081 -12.1898 -12.1769 PRESSURE: 4478400 -76.7755 112.126 231.049 112.124 -64.1023 -49.4097 231.048 -49.4102 108.831 GPRESSURE: 4478400 -53.263 96.2669 199.72 172.467 30.9476 49.9326 194.555 -70.5286 93.1978 PRESSAVG: 4478400 58.1872 48.3166 23.2513 48.3165 -28.0533 -22.852 23.2513 -22.852 -70.3855 GPRESSAVG: 4478400 57.8701 49.1377 25.3992 47.7464 -27.3847 -24.0024 20.501 -21.2778 -70.3356 TIMING: 4478400 CPU: 13453.4, 0.0029333/step Wall: 13453.4, 0.0029333/step, 0.425002 hours remaining, 209.613281 MB of memory in use. ENERGY: 4478400 741.0120 2049.9753 1925.9575 120.1312 -206290.2740 17724.2071 0.0000 0.0000 34383.3260 -149345.6651 300.2781 -183728.9910 -149249.2292 298.5479 -10.6821 23.6275 558024.9950 -13.4172 -13.2834 PRESSURE: 4478600 323.008 -51.173 -23.3144 -51.172 -151.736 59.6094 -23.3135 59.6096 76.1403 GPRESSURE: 4478600 435.329 -8.47397 -21.2421 -121.54 -147.345 129.919 -12.8747 -89.4942 73.053 PRESSAVG: 4478600 16.9122 11.4103 7.56307 11.4104 -5.85637 7.57368 7.56316 7.5737 -0.387621 GPRESSAVG: 4478600 17.5321 13.5525 6.08544 9.18364 -7.57892 9.6414 9.16487 6.21904 0.225146 TIMING: 4478600 CPU: 13454, 0.00291191/step Wall: 13454, 0.00291191/step, 0.421742 hours remaining, 209.613281 MB of memory in use. ENERGY: 4478600 696.3716 2055.7086 1948.0456 106.5549 -206292.5471 17947.2012 0.0000 0.0000 34023.4372 -149515.2280 297.1351 -183538.6652 -149419.5403 299.3323 82.4708 120.3456 557335.4527 3.5561 3.3928 PRESSURE: 4478800 -35.0952 -16.8556 118.519 -16.8545 -143 -92.2657 118.52 -92.2661 -209.523 GPRESSURE: 4478800 -17.9501 24.1139 121.151 -178.689 -87.7189 -81.8299 288.269 -61.0411 -196.754 PRESSAVG: 4478800 125.69 -9.49979 14.1387 -9.49985 -72.9955 14.6334 14.1387 14.6334 -67.459 GPRESSAVG: 4478800 124.908 -11.5352 12.8674 -7.89639 -73.266 13.9716 14.633 15.7099 -66.5129 TIMING: 4478800 CPU: 13454.6, 0.00293279/step Wall: 13454.6, 0.00293279/step, 0.424603 hours remaining, 209.613281 MB of memory in use. ENERGY: 4478800 766.3968 2062.3361 1962.2737 106.0368 -205923.1218 17511.0746 0.0000 0.0000 34085.3266 -149429.6772 297.6756 -183515.0038 -149340.2125 298.1077 -129.2062 -100.8075 557540.0374 -4.9215 -4.9569 PRESSURE: 4479000 2.58993 -18.0298 72.0869 -18.0307 -54.4512 46.061 72.0872 46.0607 264.877 GPRESSURE: 4479000 35.8443 29.699 60.7206 -54.986 44.8381 34.0812 102.779 55.2894 212.565 PRESSAVG: 4479000 -7.94576 -27.6607 -3.68873 -27.6608 0.815845 -24.0505 -3.68876 -24.0505 32.9435 GPRESSAVG: 4479000 -7.94815 -28.5798 -3.01519 -25.8817 1.72949 -23.9256 -4.5549 -25.1306 31.2744 TIMING: 4479000 CPU: 13455.2, 0.00295511/step Wall: 13455.2, 0.00295511/step, 0.42767 hours remaining, 209.613281 MB of memory in use. ENERGY: 4479000 725.0179 2015.8802 1952.0726 114.5196 -206178.6230 17790.4128 0.0000 0.0000 34217.1102 -149363.6097 298.8265 -183580.7199 -149262.8925 298.3281 71.0051 97.7492 556707.1387 8.6045 8.3519 PRESSURE: 4479200 -148.176 25.4407 -58.9271 25.4417 -85.1741 66.3954 -58.9261 66.3953 -16.154 GPRESSURE: 4479200 -84.0472 61.4861 -68.2531 54.2152 -59.3785 -53.549 16.7172 106.187 -7.2813 PRESSAVG: 4479200 -61.8686 17.7485 -35.2306 17.7486 -14.3033 51.0298 -35.2306 51.0298 81.0796 GPRESSAVG: 4479200 -61.8035 19.9602 -35.9124 15.893 -15.2829 51.2151 -35.5158 51.4451 81.7584 TIMING: 4479200 CPU: 13455.8, 0.00298554/step Wall: 13455.8, 0.00298554/step, 0.431909 hours remaining, 209.613281 MB of memory in use. ENERGY: 4479200 712.5453 2075.9998 1935.7876 113.5291 -206127.3360 17625.4665 0.0000 0.0000 34401.0153 -149262.9925 300.4326 -183664.0077 -149165.4101 299.3749 -83.1679 -50.2357 558423.0744 1.6359 1.5573 PRESSURE: 4479400 -42.3632 67.8078 -110.241 67.8069 -247.095 66.3406 -110.241 66.3391 -89.6793 GPRESSURE: 4479400 -8.62348 28.6633 -138.015 87.9073 -211.379 6.00544 -53.4478 70.4841 -56.6284 PRESSAVG: 4479400 51.9632 12.1046 20.7881 12.1046 -25.7242 24.1432 20.7882 24.1432 -11.8907 GPRESSAVG: 4479400 52.0294 9.1756 20.278 12.3525 -25.5198 25.3572 23.0555 23.8224 -11.9401 TIMING: 4479400 CPU: 13456.4, 0.00298302/step Wall: 13456.4, 0.00298302/step, 0.431378 hours remaining, 209.613281 MB of memory in use. ENERGY: 4479400 738.1771 2027.9682 1939.4477 124.7652 -206262.7545 17712.9516 0.0000 0.0000 34473.9814 -149245.4633 301.0699 -183719.4447 -149146.9832 299.1316 -126.3791 -92.2102 557721.4612 4.7828 4.8565 PRESSURE: 4479600 -312.794 -56.7675 -15.7738 -56.7666 -308.6 -117.609 -15.7747 -117.61 -74.3927 GPRESSURE: 4479600 -261.297 -59.8607 19.2543 0.196121 -276.615 -111.574 -8.78897 -211.588 -73.7136 PRESSAVG: 4479600 22.8471 11.016 -5.02127 11.016 -39.7777 -5.39307 -5.0213 -5.39306 3.51521 GPRESSAVG: 4479600 23.6781 12.908 -3.15097 10.4476 -40.8495 -6.24544 -6.47718 -4.87074 3.74208 TIMING: 4479600 CPU: 13457, 0.00299087/step Wall: 13457, 0.00299087/step, 0.432347 hours remaining, 209.613281 MB of memory in use. ENERGY: 4479600 754.1914 2115.6057 1933.4283 111.5181 -206039.1962 17585.3803 0.0000 0.0000 34242.1356 -149296.9369 299.0451 -183539.0726 -149202.2325 298.8906 -231.9290 -203.8752 557521.4101 -4.4718 -4.4764 PRESSURE: 4479800 1.37635 -228.6 111.325 -228.599 -191.018 -104.514 111.324 -104.515 -134.885 GPRESSURE: 4479800 26.0638 -211.882 31.4416 -183.434 -161.037 -145.228 171.294 -105.414 -82.6156 PRESSAVG: 4479800 -8.84779 7.95864 20.8765 7.95855 25.3273 -46.9793 20.8765 -46.9793 -13.8917 GPRESSAVG: 4479800 -9.73968 8.53506 20.1065 8.02685 26.1587 -47.3911 21.4573 -46.7657 -13.6962 TIMING: 4479800 CPU: 13457.6, 0.00297331/step Wall: 13457.6, 0.00297331/step, 0.429644 hours remaining, 209.613281 MB of memory in use. ENERGY: 4479800 744.8233 2034.5475 1923.3371 128.5272 -206144.1757 17731.6381 0.0000 0.0000 34343.3025 -149238.0001 299.9286 -183581.3026 -149135.3068 299.1659 -108.1753 -72.5295 557908.0194 0.8626 0.9076 PRESSURE: 4480000 -310.948 -34.1234 -16.2694 -34.1235 -155.907 -127.83 -16.2689 -127.83 -145.238 GPRESSURE: 4480000 -299.273 -3.0866 35.085 -26.3237 -129.11 -166.169 -87.3563 -126.183 -92.6671 PRESSAVG: 4480000 -13.7702 -7.80316 13.2685 -7.80321 -53.212 -48.4236 13.2685 -48.4235 62.3267 GPRESSAVG: 4480000 -14.4701 -9.93601 14.1243 -6.96032 -53.5334 -48.9238 10.4082 -47.3397 62.5649 TIMING: 4480000 CPU: 13458.2, 0.00297773/step Wall: 13458.2, 0.00297773/step, 0.430116 hours remaining, 209.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4480000 769.1889 2105.7687 1917.7020 115.2365 -205899.6204 17518.6978 0.0000 0.0000 34201.7695 -149271.2570 298.6926 -183473.0264 -149175.1663 299.1727 -204.0311 -173.6832 557329.4568 -1.5518 -1.8129 PRESSURE: 4480200 -196.433 51.922 20.3515 51.9199 38.5222 -0.0240635 20.3518 -0.0244331 -15.7883 GPRESSURE: 4480200 -135.692 68.1293 23.4106 64.2813 59.2666 -59.7394 3.90994 54.6977 -4.57967 PRESSAVG: 4480200 -0.860577 10.7839 -7.09429 10.7839 -8.06423 -17.1599 -7.09429 -17.16 39.2026 GPRESSAVG: 4480200 0.145454 12.3416 -9.0832 8.61771 -7.70102 -18.1212 -2.99062 -18.907 38.2816 TIMING: 4480200 CPU: 13458.8, 0.00299803/step Wall: 13458.8, 0.00299803/step, 0.432882 hours remaining, 209.613281 MB of memory in use. ENERGY: 4480200 728.4752 2064.5356 1953.9130 123.0654 -205973.8900 17784.5958 0.0000 0.0000 34089.2412 -149230.0639 297.7098 -183319.3051 -149139.5366 298.7977 -57.8998 -27.0017 558755.0499 10.0926 10.2420 LDB: ============= START OF LOAD BALANCING ============== 13462.3 LDB: ============== END OF LOAD BALANCING =============== 13462.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13462.3 LDB: ============= START OF LOAD BALANCING ============== 13462.6 LDB: Largest compute 4802 load 0.027151 is 23.0% of average load 0.118181 LDB: Average compute 0.001743 is 1.5% of average load 0.118181 LDB: TIME 13462.6 LOAD: AVG 0.118181 MAX 0.206453 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.492 MB LDB: TIME 13462.6 LOAD: AVG 0.118181 MAX 0.206453 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.492 MB LDB: TIME 13462.6 LOAD: AVG 0.118181 MAX 0.206453 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.492 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13462.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13462.6 PRESSURE: 4480400 111.523 20.863 -59.2963 20.8622 81.19 17.4635 -59.2959 17.4656 76.4536 GPRESSURE: 4480400 81.4594 23.3646 -13.6237 11.1728 150.962 24.2788 -50.8096 84.2385 130.558 PRESSAVG: 4480400 20.8214 40.0295 1.16722 40.0296 -32.2436 -4.4121 1.16726 -4.41203 29.9227 GPRESSAVG: 4480400 20.031 39.0287 3.44269 40.5589 -32.4067 -3.34533 -0.765159 -4.93992 31.0579 TIMING: 4480400 CPU: 13459.4, 0.00303709/step Wall: 13459.4, 0.00303709/step, 0.438353 hours remaining, 211.152344 MB of memory in use. ENERGY: 4480400 739.4499 2056.3087 1942.3320 119.8377 -206427.2706 18024.2541 0.0000 0.0000 34455.5461 -149089.5422 300.9089 -183545.0882 -148991.0527 300.3408 89.7221 120.9931 557610.5006 6.1668 6.2274 PRESSURE: 4480600 -74.6435 -72.8694 38.1671 -72.8702 -158.465 -53.2784 38.1682 -53.2783 210.326 GPRESSURE: 4480600 5.61653 -140.14 24.7243 -2.08811 -98.2824 -11.5632 -65.0906 -127.028 184.908 PRESSAVG: 4480600 -15.7102 -46.2286 -38.5797 -46.2286 -29.3622 -4.77857 -38.5796 -4.77848 -0.465562 GPRESSAVG: 4480600 -15.8213 -46.1021 -39.4091 -46.1595 -28.4721 -5.5348 -39.5821 -4.78135 -1.65101 TIMING: 4480600 CPU: 13460, 0.00299773/step Wall: 13460, 0.00299773/step, 0.432506 hours remaining, 211.355469 MB of memory in use. ENERGY: 4480600 775.4795 2013.6981 1921.9378 110.7245 -205873.1385 17614.3743 0.0000 0.0000 34240.3291 -149196.5951 299.0293 -183436.9242 -149098.7378 299.8872 -7.5940 30.7473 556625.3009 -15.1793 -15.3148 PRESSURE: 4480800 -144.672 -68.24 -165.386 -68.2398 -132.937 70.9864 -165.385 70.9836 -169.568 GPRESSURE: 4480800 -146.384 -2.59481 -142.508 -96.776 -74.7413 88.3402 -121.213 89.3529 -119.821 PRESSAVG: 4480800 41.4214 52.7951 -48.1706 52.7952 -15.5292 -23.0134 -48.1705 -23.0134 -7.31883 GPRESSAVG: 4480800 41.1201 52.9175 -49.4773 52.6346 -15.7364 -21.5865 -47.6525 -22.0398 -6.72216 TIMING: 4480800 CPU: 13460.6, 0.00296722/step Wall: 13460.6, 0.00296722/step, 0.427939 hours remaining, 211.355469 MB of memory in use. ENERGY: 4480800 739.5226 2045.4354 1969.2776 123.9078 -205931.3608 17544.9528 0.0000 0.0000 34220.1911 -149288.0734 298.8534 -183508.2645 -149179.3063 299.4907 -149.0591 -113.6487 558680.4857 6.1911 6.2205 PRESSURE: 4481000 137.446 -72.5569 129.61 -72.5564 44.7224 80.981 129.611 80.9823 -165.286 GPRESSURE: 4481000 123.709 34.1199 197.147 -97.406 91.0396 143.805 199.953 77.117 -105.063 PRESSAVG: 4481000 55.6339 -23.6265 -24.6198 -23.6265 -91.6198 48.457 -24.6198 48.457 34.6653 GPRESSAVG: 4481000 54.8901 -23.1629 -22.6727 -24.0096 -92.1439 48.8735 -24.7939 48.0837 35.2091 TIMING: 4481000 CPU: 13461.2, 0.00295025/step Wall: 13461.2, 0.00295025/step, 0.425327 hours remaining, 211.355469 MB of memory in use. ENERGY: 4481000 745.6453 2088.7199 1941.3146 112.9909 -206390.6872 17979.6031 0.0000 0.0000 34199.0484 -149323.3649 298.6688 -183522.4134 -149227.5323 299.1322 5.6275 36.5620 557693.2278 -0.4402 -0.6815 PRESSURE: 4481200 154.416 71.9819 -98.5731 71.9818 -227.396 41.0454 -98.5734 41.0453 138.639 GPRESSURE: 4481200 145.836 21.1328 -95.741 101.737 -132.758 -24.4267 -140.578 129.581 150.266 PRESSAVG: 4481200 -31.0198 27.8479 28.0728 27.8478 -76.1191 28.4861 28.0728 28.4861 71.0702 GPRESSAVG: 4481200 -30.6111 28.7095 27.1834 27.3309 -75.4217 27.2731 28.6875 26.0456 70.2166 TIMING: 4481200 CPU: 13461.7, 0.0029532/step Wall: 13461.7, 0.0029532/step, 0.42559 hours remaining, 211.355469 MB of memory in use. ENERGY: 4481200 747.9409 2093.0965 1948.4108 102.3211 -206855.4044 18131.3993 0.0000 0.0000 34427.1509 -149405.0850 300.6609 -183832.2358 -149312.1282 299.1687 21.8863 54.4482 556326.9903 -12.0229 -11.9387 PRESSURE: 4481400 -98.7858 -82.9518 38.2876 -82.9532 -24.8308 68.3502 38.2875 68.3499 -67.4341 GPRESSURE: 4481400 -28.6885 -61.2773 70.617 -132.554 -37.9088 4.2893 37.4596 59.3829 -40.2046 PRESSAVG: 4481400 39.2762 -7.44324 33.944 -7.44314 -43.0584 27.9125 33.9439 27.9126 43.6864 GPRESSAVG: 4481400 39.7619 -6.90546 33.7429 -7.9402 -44.1816 27.7287 33.765 29.3639 44.0436 TIMING: 4481400 CPU: 13462.3, 0.00297979/step Wall: 13462.3, 0.00297979/step, 0.429255 hours remaining, 211.355469 MB of memory in use. ENERGY: 4481400 744.2293 2075.5411 1941.3843 117.7058 -206174.4149 17670.1170 0.0000 0.0000 34280.3888 -149345.0487 299.3792 -183625.4375 -149242.6922 298.8981 -63.6836 -35.6007 556589.8095 13.3014 13.2080 PRESSURE: 4481600 108.169 -53.3757 141.609 -53.3781 15.0405 77.9701 141.609 77.9693 51.5907 GPRESSURE: 4481600 170.175 -8.02043 98.5676 55.7569 54.5501 39.6463 117.989 88.4765 47.624 PRESSAVG: 4481600 40.7773 -38.1385 40.7406 -38.1385 -38.4872 20.0507 40.7406 20.0506 -11.0857 GPRESSAVG: 4481600 41.449 -39.928 39.301 -37.2877 -38.6143 21.6094 41.6621 20.7102 -10.971 TIMING: 4481600 CPU: 13462.9, 0.00297114/step Wall: 13462.9, 0.00297114/step, 0.427844 hours remaining, 211.355469 MB of memory in use. ENERGY: 4481600 757.9368 2076.5936 1950.4990 102.7743 -206440.0259 17866.9490 0.0000 0.0000 34280.3637 -149404.9096 299.3789 -183685.2733 -149302.4854 299.2194 58.2667 90.7832 556206.2203 -2.9319 -2.7121 PRESSURE: 4481800 -46.3374 99.7586 -161.402 99.76 -291.812 137.312 -161.401 137.313 327.587 GPRESSURE: 4481800 0.204002 204.672 -198.656 109.213 -238.094 171.655 -115.344 127.728 320.485 PRESSAVG: 4481800 -11.8614 -15.1786 -14.6058 -15.1786 -12.2426 48.4429 -14.6057 48.4429 55.4777 GPRESSAVG: 4481800 -11.5812 -15.5167 -13.6001 -14.8252 -11.6398 48.6565 -14.5017 49.8637 54.6152 TIMING: 4481800 CPU: 13463.5, 0.00295914/step Wall: 13463.5, 0.00295914/step, 0.425951 hours remaining, 211.355469 MB of memory in use. ENERGY: 4481800 737.4919 2179.1863 1918.8932 109.9199 -206153.1479 17590.6128 0.0000 0.0000 34298.4252 -149318.6186 299.5367 -183617.0438 -149228.0591 299.0003 -3.5208 27.5317 555825.6689 10.4579 10.4647 PRESSURE: 4482000 62.5449 -33.6459 19.1846 -33.646 -67.0696 153.685 19.1844 153.685 -131.453 GPRESSURE: 4482000 97.5371 -129.778 0.922172 41.3166 -45.5109 163.729 2.22166 307.371 -97.7844 PRESSAVG: 4482000 -79.2026 2.99472 -8.11254 2.99468 10.335 27.9983 -8.11252 27.9983 77.6573 GPRESSAVG: 4482000 -81.5139 2.65234 -9.29983 4.42301 12.7306 26.2747 -8.23298 29.5142 77.7997 TIMING: 4482000 CPU: 13464.1, 0.00295923/step Wall: 13464.1, 0.00295923/step, 0.425801 hours remaining, 211.566406 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: 4482000 774.4192 2056.9368 1938.7131 118.2017 -206144.0205 17654.5085 0.0000 0.0000 34387.7368 -149213.5043 300.3167 -183601.2411 -149115.2826 300.0078 -45.3259 -15.2527 557539.7280 2.9299 3.0055 PRESSURE: 4482200 133.088 61.2834 -128.973 61.284 377.68 73.0426 -128.973 73.0421 -44.0236 GPRESSURE: 4482200 157.463 36.2711 -162.528 51.2734 369.692 151.535 -168.049 33.7951 49.4946 PRESSAVG: 4482200 35.7727 -41.8946 -37.4718 -41.8945 -33.2404 55.2106 -37.4718 55.2105 8.67147 GPRESSAVG: 4482200 36.3415 -42.3008 -38.3289 -43.0183 -34.2585 56.5511 -37.8531 52.3368 9.43671 TIMING: 4482200 CPU: 13464.7, 0.00297272/step Wall: 13464.7, 0.00297272/step, 0.427576 hours remaining, 211.566406 MB of memory in use. ENERGY: 4482200 751.9673 2085.0643 1943.5601 108.3550 -206450.8185 18136.4549 0.0000 0.0000 34407.6526 -149017.7642 300.4906 -183425.4168 -148924.4065 299.7240 155.5813 192.2166 556648.0319 3.7346 3.8399 PRESSURE: 4482400 28.6698 -1.01488 12.2456 -1.01402 -17.3685 -20.4402 12.2458 -20.4402 183.975 GPRESSURE: 4482400 88.4939 39.3449 -58.2204 -87.7576 7.33809 -37.1965 59.4151 -15.4569 183.312 PRESSAVG: 4482400 9.35718 -4.25298 64.5662 -4.25283 6.48073 -22.7703 64.5661 -22.7704 -16.3779 GPRESSAVG: 4482400 10.392 -1.33839 63.6053 -5.48119 5.98397 -23.7639 65.0426 -22.5236 -16.9405 TIMING: 4482400 CPU: 13465.3, 0.00295931/step Wall: 13465.3, 0.00295931/step, 0.425484 hours remaining, 211.636719 MB of memory in use. ENERGY: 4482400 739.4175 2115.1315 1919.8130 109.9700 -206335.6805 17852.7381 0.0000 0.0000 34520.0995 -149078.5110 301.4726 -183598.6106 -148981.8769 299.9779 65.0919 93.0479 555377.3756 -0.1800 -0.1882 PRESSURE: 4482600 130.274 -15.9756 110.447 -15.976 -159.214 45.233 110.447 45.2338 -29.4953 GPRESSURE: 4482600 154.819 -50.9797 99.5204 -110.964 -161.669 40.7751 99.7587 75.648 39.2341 PRESSAVG: 4482600 -23.3259 -5.96675 -16.9906 -5.96667 -45.9616 29.5139 -16.9907 29.5138 47.7209 GPRESSAVG: 4482600 -23.8174 -7.65819 -13.3073 -6.37905 -46.1168 29.9271 -15.2332 30.1766 47.7725 TIMING: 4482600 CPU: 13465.9, 0.00296449/step Wall: 13465.9, 0.00296449/step, 0.426064 hours remaining, 211.636719 MB of memory in use. ENERGY: 4482600 774.0269 2090.8751 1955.6150 111.3619 -206334.6793 17852.0792 0.0000 0.0000 34296.2882 -149254.4330 299.5180 -183550.7212 -149161.1512 299.3150 -19.4785 10.7945 558081.9836 -7.1889 -7.3872 PRESSURE: 4482800 -159.562 146.266 -24.3917 146.266 124.581 -88.3184 -24.3931 -88.3159 -5.40766 GPRESSURE: 4482800 -88.8251 111.661 63.3635 128.938 152.482 -23.3956 -58.5794 -138.253 -3.26512 PRESSAVG: 4482800 19.7462 17.0836 7.21989 17.0836 -48.1261 -34.0659 7.21987 -34.0659 52.3896 GPRESSAVG: 4482800 20.6297 17.7651 5.30059 18.7844 -49.6238 -33.1714 5.84715 -33.7481 52.929 TIMING: 4482800 CPU: 13466.5, 0.00294724/step Wall: 13466.5, 0.00294724/step, 0.42342 hours remaining, 211.636719 MB of memory in use. ENERGY: 4482800 776.7784 2131.9049 1968.0260 122.0818 -206243.1476 17883.8698 0.0000 0.0000 34216.9991 -149143.4876 298.8256 -183360.4868 -149044.7155 300.0587 -13.4630 20.1307 557717.8254 8.0032 7.9783 PRESSURE: 4483000 -128.456 19.757 -77.5143 19.7566 158.975 86.4438 -77.5138 86.4451 58.2883 GPRESSURE: 4483000 -44.0154 16.2769 -31.9025 57.5114 140.967 46.2155 -126.12 71.8922 86.8219 PRESSAVG: 4483000 15.9608 8.77648 42.4236 8.77653 -34.2273 5.61213 42.4236 5.61207 11.632 GPRESSAVG: 4483000 15.1146 7.04916 45.2283 9.0062 -33.1463 3.3714 43.2147 6.81431 11.7532 TIMING: 4483000 CPU: 13467.1, 0.00294227/step Wall: 13467.1, 0.00294227/step, 0.422543 hours remaining, 211.636719 MB of memory in use. ENERGY: 4483000 722.3765 2091.5484 1954.6382 113.0553 -206062.9497 17843.8992 0.0000 0.0000 34098.3751 -149239.0569 297.7896 -183337.4321 -149140.3611 299.1756 29.6025 61.2579 558241.3892 -2.2115 -2.0928 PRESSURE: 4483200 -12.8706 -77.8396 126.865 -77.8387 -174.465 156.563 126.865 156.561 58.6571 GPRESSURE: 4483200 33.334 -51.3968 105.007 -68.6351 -147.66 121.095 139.288 196.27 96.5668 PRESSAVG: 4483200 -38.0727 2.94245 25.4136 2.94236 2.66286 -8.89701 25.4136 -8.89711 40.2713 GPRESSAVG: 4483200 -37.1636 5.0927 25.9753 1.80444 1.7017 -9.08349 24.3521 -7.74925 40.0525 TIMING: 4483200 CPU: 13467.7, 0.00295179/step Wall: 13467.7, 0.00295179/step, 0.423746 hours remaining, 211.636719 MB of memory in use. ENERGY: 4483200 767.5686 2066.2032 1938.8153 109.7450 -206071.3172 17851.9427 0.0000 0.0000 34277.1315 -149059.9109 299.3507 -183337.0424 -148967.6379 299.1181 -42.8928 -5.9197 558319.7390 1.6205 1.5302 PRESSURE: 4483400 -136.645 41.4661 1.37334 41.4669 39.9403 -29.6651 1.37395 -29.666 -75.2298 GPRESSURE: 4483400 -93.7603 43.4905 45.285 62.4931 106.241 -103.239 -7.47754 44.1953 -88.6602 PRESSAVG: 4483400 26.7061 -12.9463 -1.98586 -12.9463 32.0826 44.0458 -1.98587 44.0458 -17.646 GPRESSAVG: 4483400 26.0423 -14.9953 -2.02373 -11.5131 33.2551 45.5821 -0.418636 43.2448 -17.9794 TIMING: 4483400 CPU: 13468.3, 0.00294237/step Wall: 13468.3, 0.00294237/step, 0.42223 hours remaining, 211.636719 MB of memory in use. ENERGY: 4483400 699.5401 2029.7694 1962.1320 113.1879 -205927.3589 17715.0560 0.0000 0.0000 34212.9623 -149194.7111 298.7903 -183407.6734 -149099.5992 299.2406 -57.3114 -25.3931 558517.1971 13.7142 13.7727 PRESSURE: 4483600 -57.3947 -62.8181 22.2667 -62.8173 121.565 -128.461 22.2672 -128.463 -201.143 GPRESSURE: 4483600 -49.8942 -87.9313 -39.3786 47.9703 175.784 -169.016 45.8483 -161.614 -168.744 PRESSAVG: 4483600 33.3418 28.876 -3.31533 28.876 -72.5001 -3.5261 -3.31532 -3.52608 13.8254 GPRESSAVG: 4483600 32.7325 29.5877 -4.48909 28.6608 -72.0727 -3.20832 -4.45164 -4.79449 13.6572 TIMING: 4483600 CPU: 13468.9, 0.00296033/step Wall: 13468.9, 0.00296033/step, 0.424643 hours remaining, 211.636719 MB of memory in use. ENERGY: 4483600 720.8386 2081.7241 1938.6950 101.5588 -205795.7520 17692.9609 0.0000 0.0000 34231.3980 -149028.5766 298.9513 -183259.9746 -148933.8687 299.1651 -45.6574 -14.2847 558641.6676 -8.4443 -8.5610 PRESSURE: 4483800 -12.1207 61.483 185.766 61.4814 -87.9688 -17.4763 185.766 -17.4766 -181.464 GPRESSURE: 4483800 11.7069 82.5525 191.427 -17.1397 -36.9887 -29.8632 154.102 67.4993 -143.308 PRESSAVG: 4483800 -10.9821 33.722 -6.63603 33.722 -19.9458 -38.5635 -6.63607 -38.5636 27.7596 GPRESSAVG: 4483800 -10.0611 33.0965 -6.98167 36.6134 -20.0521 -38.3401 -6.64127 -36.8812 27.8264 TIMING: 4483800 CPU: 13469.4, 0.00298507/step Wall: 13469.4, 0.00298507/step, 0.428026 hours remaining, 211.636719 MB of memory in use. ENERGY: 4483800 785.5202 2005.9353 1928.5682 109.8822 -206047.6459 17766.3190 0.0000 0.0000 34187.7033 -149263.7177 298.5697 -183451.4210 -149172.9831 299.1900 -93.8512 -56.1967 558736.0141 -1.0561 -0.7623 PRESSURE: 4484000 -244.091 10.767 107.006 10.7679 -175.683 -10.311 107.007 -10.3113 -279.311 GPRESSURE: 4484000 -158.578 -34.976 -2.05971 4.44359 -193.497 82.3144 171.23 -66.6334 -258.276 PRESSAVG: 4484000 -3.56395 24.4926 44.8205 24.4928 -24.2618 -16.7677 44.8206 -16.7678 2.31047 GPRESSAVG: 4484000 -2.90685 24.9622 46.0605 21.2966 -24.3757 -17.0077 44.4917 -18.83 2.4292 TIMING: 4484000 CPU: 13470, 0.00297647/step Wall: 13470, 0.00297647/step, 0.426628 hours remaining, 211.636719 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: 4484000 761.7882 2061.3517 1940.4101 102.6696 -205712.0559 17450.7785 0.0000 0.0000 34272.7446 -149122.3132 299.3124 -183395.0579 -149027.0275 299.3766 -233.0284 -203.4502 557320.1911 -8.5051 -8.2845 PRESSURE: 4484200 -3.718 -29.7998 184.649 -29.7991 100.729 -110.931 184.649 -110.931 0.279056 GPRESSURE: 4484200 46.4686 16.7187 97.4773 -0.4742 168.138 -104.476 202.358 -54.4239 -26.845 PRESSAVG: 4484200 19.0439 -18.4395 -14.8463 -18.4395 60.7515 -32.977 -14.8463 -32.9769 -37.6362 GPRESSAVG: 4484200 19.7046 -18.6458 -16.3898 -18.7307 60.6989 -32.7848 -13.8504 -33.5612 -38.2905 TIMING: 4484200 CPU: 13470.6, 0.00297502/step Wall: 13470.6, 0.00297502/step, 0.426254 hours remaining, 211.636719 MB of memory in use. ENERGY: 4484200 701.1414 2051.4804 1938.8795 112.8894 -206216.8443 17781.0962 0.0000 0.0000 34415.9406 -149215.4168 300.5630 -183631.3574 -149114.5034 299.1157 32.4300 62.5874 556790.4790 14.0531 14.0377 LDB: ============= START OF LOAD BALANCING ============== 13474.2 LDB: ============== END OF LOAD BALANCING =============== 13474.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13474.2 LDB: ============= START OF LOAD BALANCING ============== 13474.4 LDB: Largest compute 4802 load 0.026233 is 22.2% of average load 0.118151 LDB: Average compute 0.001734 is 1.5% of average load 0.118151 LDB: TIME 13474.4 LOAD: AVG 0.118151 MAX 0.203975 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.465 MB LDB: TIME 13474.4 LOAD: AVG 0.118151 MAX 0.203975 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.668 MB LDB: TIME 13474.4 LOAD: AVG 0.118151 MAX 0.203975 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.668 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13474.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13474.5 PRESSURE: 4484400 58.2638 -85.8877 -13.1633 -85.8869 -171.026 -147.341 -13.1625 -147.34 -145.776 GPRESSURE: 4484400 92.8315 -87.5226 -16.9014 -79.9644 -125.316 -149.15 -22.4029 -71.7665 -134.22 PRESSAVG: 4484400 16.8058 30.8813 14.7998 30.8813 10.1377 -33.0731 14.7998 -33.0731 18.6135 GPRESSAVG: 4484400 16.6686 31.4731 15.1801 32.2232 9.84926 -30.8499 11.9356 -32.9843 18.8566 TIMING: 4484400 CPU: 13471.2, 0.00300867/step Wall: 13471.2, 0.00300867/step, 0.430908 hours remaining, 209.234375 MB of memory in use. ENERGY: 4484400 755.8144 2082.3681 1940.6840 107.9463 -206496.2416 17848.3357 0.0000 0.0000 34561.6981 -149199.3950 301.8359 -183761.0930 -149106.3448 299.5670 -86.1791 -55.5683 557971.3725 15.1856 15.1248 PRESSURE: 4484600 72.8466 -150.848 127.995 -150.848 237.102 -7.00781 127.996 -7.00757 144.488 GPRESSURE: 4484600 122.83 -239.177 103.597 -146.956 232.789 62.404 134.647 -37.5214 191.073 PRESSAVG: 4484600 38.3892 -71.1626 31.3605 -71.1625 -27.4428 -24.2575 31.3605 -24.2574 -17.5748 GPRESSAVG: 4484600 36.4944 -72.8613 31.7006 -71.4687 -27.1638 -25.1055 33.236 -24.8043 -15.4188 TIMING: 4484600 CPU: 13471.8, 0.00295096/step Wall: 13471.8, 0.00295096/step, 0.422479 hours remaining, 209.234375 MB of memory in use. ENERGY: 4484600 732.2771 2035.2673 1934.9772 99.1703 -206462.1412 18017.3610 0.0000 0.0000 34523.8474 -149119.2409 301.5053 -183643.0882 -149022.4543 299.2006 151.4788 182.2304 556636.4974 -2.2095 -2.0294 PRESSURE: 4484800 -128.905 -71.2103 29.3198 -71.2104 -218.226 55.829 29.3191 55.828 -348.178 GPRESSURE: 4484800 -129.509 -71.0097 67.2561 -114.77 -172.69 88.3376 82.9434 4.78451 -291.965 PRESSAVG: 4484800 -9.05473 -34.5051 48.3301 -34.5051 21.4856 14.8116 48.33 14.8116 22.5635 GPRESSAVG: 4484800 -7.66717 -33.7165 50.0451 -34.6273 22.0052 11.8461 47.6524 16.2975 20.3365 TIMING: 4484800 CPU: 13472.4, 0.00297406/step Wall: 13472.4, 0.00297406/step, 0.425621 hours remaining, 209.234375 MB of memory in use. ENERGY: 4484800 773.2129 2013.4778 1959.2147 103.3078 -205757.2228 17422.6748 0.0000 0.0000 34293.6915 -149191.6434 299.4953 -183485.3349 -149097.9362 300.1455 -231.7696 -198.0547 556876.0322 11.6648 11.5582 PRESSURE: 4485000 162.595 -19.4822 2.29606 -19.4823 117.468 -58.3172 2.29646 -58.3185 -175.975 GPRESSURE: 4485000 198.261 25.2723 -85.1349 -89.0903 116.075 -38.9574 69.6181 -36.4241 -115.041 PRESSAVG: 4485000 -6.41687 -46.5976 45.5145 -46.5975 31.0721 -19.1507 45.5145 -19.1506 11.6382 GPRESSAVG: 4485000 -6.7334 -44.9177 42.5343 -49.3597 30.5713 -18.1929 48.2834 -19.1194 12.494 TIMING: 4485000 CPU: 13473, 0.00296073/step Wall: 13473, 0.00296073/step, 0.423549 hours remaining, 209.234375 MB of memory in use. ENERGY: 4485000 728.4525 2025.9137 1912.4361 116.1844 -205938.3803 17730.9718 0.0000 0.0000 34261.6902 -149162.7317 299.2159 -183424.4219 -149065.7603 299.7702 34.6963 66.4313 556396.2241 12.0978 12.1106 PRESSURE: 4485200 -211.046 -30.735 -66.1687 -30.7338 -22.2033 -110.395 -66.1683 -110.394 -158.336 GPRESSURE: 4485200 -190.856 -37.4968 -74.1071 -21.673 4.16872 -141.82 -33.8201 -130.603 -103.852 PRESSAVG: 4485200 19.333 10.3193 8.6418 10.3193 -3.95867 -51.5775 8.64171 -51.5774 -20.5573 GPRESSAVG: 4485200 18.8767 6.60129 9.8639 12.9244 -4.23689 -51.861 6.32992 -52.7135 -19.3416 TIMING: 4485200 CPU: 13473.6, 0.00297555/step Wall: 13473.6, 0.00297555/step, 0.425504 hours remaining, 209.437500 MB of memory in use. ENERGY: 4485200 726.5812 2077.0480 1954.4839 106.6461 -206050.8341 17557.4101 0.0000 0.0000 34308.4328 -149320.2318 299.6241 -183628.6647 -149223.4577 299.4337 -130.5284 -96.8464 558293.7002 -1.7277 -1.5673 PRESSURE: 4485400 -183.943 -81.0748 -26.1513 -81.0737 -13.1507 -126.178 -26.151 -126.179 142.34 GPRESSURE: 4485400 -140.836 -89.0837 -63.5958 -122.396 18.1727 -124.456 0.754783 -159.681 172.987 PRESSAVG: 4485400 -21.9958 -50.7151 29.797 -50.7151 9.49925 5.71263 29.797 5.71263 66.4667 GPRESSAVG: 4485400 -22.0709 -48.6019 29.9465 -50.6172 10.5782 6.76385 27.4803 5.02806 66.1479 TIMING: 4485400 CPU: 13474.2, 0.00296939/step Wall: 13474.2, 0.00296939/step, 0.424457 hours remaining, 209.640625 MB of memory in use. ENERGY: 4485400 714.7359 2093.5493 1927.5737 113.0754 -205771.1008 17659.0522 0.0000 0.0000 34179.4392 -149083.6751 298.4975 -183263.1143 -148986.2733 299.0769 -18.2514 16.7746 557445.2837 17.9900 18.2184 PRESSURE: 4485600 -302.766 15.8458 70.837 15.8468 -401.641 -106.456 70.8362 -106.456 -250.702 GPRESSURE: 4485600 -326.096 0.977492 78.2636 31.2842 -352.002 -47.8642 17.6418 -34.0574 -190.989 PRESSAVG: 4485600 7.82598 8.05494 8.02972 8.05486 -57.6073 -34.9606 8.02969 -34.9606 61.1183 GPRESSAVG: 4485600 7.80748 10.6678 7.31464 4.98317 -58.3434 -36.3193 10.8421 -34.6941 61.5195 TIMING: 4485600 CPU: 13474.8, 0.00297565/step Wall: 13474.8, 0.00297565/step, 0.425187 hours remaining, 209.640625 MB of memory in use. ENERGY: 4485600 758.5475 2065.6727 1922.1656 99.8264 -205644.8862 17393.6365 0.0000 0.0000 34389.8301 -149015.2073 300.3349 -183405.0374 -148925.6619 299.5978 -318.3695 -289.6959 558411.7816 3.7790 3.6612 PRESSURE: 4485800 -189.303 -10.1586 31.5906 -10.1578 -138.705 49.0127 31.5931 49.0128 -305.698 GPRESSURE: 4485800 -199.609 44.6822 -27.7246 -9.34274 -74.8617 8.50868 42.7148 83.5738 -263.979 PRESSAVG: 4485800 -11.3681 -0.472617 15.9103 -0.472541 -58.0292 -33.5806 15.9104 -33.5806 29.1894 GPRESSAVG: 4485800 -11.6983 -1.7756 14.8031 1.81682 -58.4417 -34.0838 16.6382 -33.1286 29.8151 TIMING: 4485800 CPU: 13475.4, 0.00295912/step Wall: 13475.4, 0.00295912/step, 0.422661 hours remaining, 209.640625 MB of memory in use. ENERGY: 4485800 738.5209 2068.5776 1925.3332 112.6912 -205952.9629 17716.4114 0.0000 0.0000 34383.0900 -149008.3385 300.2761 -183391.4286 -148913.0765 299.7188 -211.2353 -179.4835 559771.0204 -13.4026 -13.4416 PRESSURE: 4486000 35.5129 -29.9368 37.8015 -29.9355 -46.4522 110.967 37.8001 110.968 190.749 GPRESSURE: 4486000 81.4158 -22.7998 92.4201 -84.6435 -8.88173 35.5081 115.69 158.927 200.469 PRESSAVG: 4486000 -21.1609 -34.9198 18.2608 -34.9198 -47.7068 -54.33 18.2608 -54.33 47.0786 GPRESSAVG: 4486000 -21.0881 -36.8922 19.0107 -33.7745 -47.1979 -54.0936 17.7143 -54.0483 46.0781 TIMING: 4486000 CPU: 13476, 0.00297759/step Wall: 13476, 0.00297759/step, 0.425133 hours remaining, 209.640625 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: 4486000 743.5400 2050.5480 1930.0737 103.9717 -206019.2818 18010.6854 0.0000 0.0000 34229.1710 -148951.2920 298.9319 -183180.4630 -148851.8848 299.8516 59.9365 91.0010 559220.2957 -7.2630 -7.4026 PRESSURE: 4486200 -297.973 2.75405 -37.9186 2.75548 -170.525 -53.3951 -37.9179 -53.3949 -85.6783 GPRESSURE: 4486200 -237.213 -7.94374 -75.5198 15.5508 -155.986 -85.1984 -16.0577 -13.0374 -65.0722 PRESSAVG: 4486200 -20.5362 15.4509 70.1351 15.451 -76.5215 -4.4882 70.135 -4.48817 79.1754 GPRESSAVG: 4486200 -20.0988 17.7865 69.9803 15.3301 -77.6126 -5.43792 69.6911 -3.40068 80.0052 TIMING: 4486200 CPU: 13476.6, 0.00297656/step Wall: 13476.6, 0.00297656/step, 0.424822 hours remaining, 209.640625 MB of memory in use. ENERGY: 4486200 757.7302 2065.5135 1915.8746 113.8464 -205672.0064 17430.4026 0.0000 0.0000 34341.4554 -149047.1836 299.9125 -183388.6390 -148949.9709 299.1418 -184.7255 -152.7571 558732.9476 -5.9608 -5.9021 PRESSURE: 4486400 103.611 62.3903 -22.8765 62.3912 -5.02629 239.836 -22.8762 239.837 -158.15 GPRESSURE: 4486400 92.3693 109.393 0.494335 -30.8367 20.6844 144.279 4.50786 196.05 -78.3817 PRESSAVG: 4486400 -63.527 -23.9109 60.6939 -23.9109 11.1549 36.6875 60.6939 36.6875 49.596 GPRESSAVG: 4486400 -64.2277 -24.2056 61.9757 -24.5945 11.5827 37.606 61.0462 36.4837 49.3657 TIMING: 4486400 CPU: 13477.2, 0.00296101/step Wall: 13477.2, 0.00296101/step, 0.422438 hours remaining, 209.640625 MB of memory in use. ENERGY: 4486400 763.5705 2036.9311 1896.0843 124.4207 -206015.0944 17813.1532 0.0000 0.0000 34332.5270 -149048.4077 299.8345 -183380.9347 -148952.0537 299.4758 -19.8553 11.5573 557528.3694 -0.9254 -1.0931 PRESSURE: 4486600 -193.67 -142.988 -64.445 -142.986 32.2897 -98.1386 -64.4459 -98.1383 -44.4825 GPRESSURE: 4486600 -144.079 -184 -132.963 -162.748 32.3577 -68.7887 -9.90308 -171.567 6.29582 PRESSAVG: 4486600 -10.8333 17.7193 -36.0036 17.7193 -1.57956 10.5835 -36.0035 10.5835 9.04061 GPRESSAVG: 4486600 -9.7094 14.3157 -38.2766 20.3734 -1.88719 11.1764 -34.3467 7.5667 8.47285 TIMING: 4486600 CPU: 13477.8, 0.00296051/step Wall: 13477.8, 0.00296051/step, 0.422202 hours remaining, 209.640625 MB of memory in use. ENERGY: 4486600 715.4197 2092.9716 1924.5661 109.6225 -205921.0086 17798.8333 0.0000 0.0000 34130.6579 -149148.9376 298.0715 -183279.5955 -149046.5778 299.3305 -68.6209 -35.1418 558172.7896 -1.1241 -1.0412 PRESSURE: 4486800 -113.684 89.7518 119.443 89.7518 -61.3248 -64.63 119.442 -64.6306 46.6624 GPRESSURE: 4486800 -68.5813 130.739 86.3618 87.1826 -76.1945 -32.2333 82.1242 -66.174 128.71 PRESSAVG: 4486800 12.1139 -77.8489 65.8023 -77.8489 18.7916 -38.0968 65.8023 -38.0968 -58.0882 GPRESSAVG: 4486800 11.5483 -76.3115 67.4473 -79.4162 19.2076 -37.6207 64.7286 -35.3809 -57.7362 TIMING: 4486800 CPU: 13478.4, 0.00296868/step Wall: 13478.4, 0.00296868/step, 0.423202 hours remaining, 209.640625 MB of memory in use. ENERGY: 4486800 768.2014 2007.3023 1949.1748 109.7391 -206475.9768 17991.7983 0.0000 0.0000 34369.3563 -149280.4046 300.1561 -183649.7609 -149189.9332 299.4352 -42.7821 -5.3553 558187.0812 -9.0609 -8.9934 PRESSURE: 4487000 45.2433 115.949 127.909 115.95 -99.9029 26.5691 127.908 26.5692 -3.46647 GPRESSURE: 4487000 89.7363 194.268 157.541 133.932 -86.4276 81.367 112.719 -119.657 39.5078 PRESSAVG: 4487000 -8.25229 -12.4272 -38.4145 -12.4271 42.9532 -22.2324 -38.4147 -22.2323 -2.09781 GPRESSAVG: 4487000 -7.86208 -11.7423 -37.3999 -11.1093 42.8035 -22.5146 -40.0061 -23.2343 -2.7825 TIMING: 4487000 CPU: 13479, 0.00295414/step Wall: 13479, 0.00295414/step, 0.420966 hours remaining, 209.640625 MB of memory in use. ENERGY: 4487000 748.1686 2117.9829 1942.5270 103.0400 -206110.7130 17811.8571 0.0000 0.0000 34151.0212 -149236.1162 298.2494 -183387.1374 -149137.6878 299.3998 -19.3754 14.2722 557979.4820 10.8677 10.7196 PRESSURE: 4487200 -208.218 -158.391 -65.2125 -158.389 -103.938 20.8125 -65.213 20.812 -265.235 GPRESSURE: 4487200 -230.562 -171.398 1.14888 -146.566 -44.7645 129.693 -4.79502 -40.3762 -198.748 PRESSAVG: 4487200 -44.7859 -27.5506 9.15888 -27.5505 -6.62218 32.4115 9.15882 32.4114 20.2152 GPRESSAVG: 4487200 -45.4747 -27.346 8.0434 -27.5558 -7.34529 33.8521 10.0322 33.1802 21.0699 TIMING: 4487200 CPU: 13479.5, 0.0029565/step Wall: 13479.5, 0.0029565/step, 0.421136 hours remaining, 209.640625 MB of memory in use. ENERGY: 4487200 754.7407 2078.3943 1933.3672 116.4333 -206125.6167 17556.4231 0.0000 0.0000 34309.6018 -149376.6563 299.6343 -183686.2582 -149277.8407 298.7233 -192.4636 -158.0250 557491.5913 -10.3976 -10.5834 PRESSURE: 4487400 -382.3 -99.3889 14.2007 -99.3875 -223.069 250.443 14.2016 250.443 -342.318 GPRESSURE: 4487400 -348.633 -83.7935 54.4477 -120.793 -165.521 144.854 -33.8502 313.965 -331.559 PRESSAVG: 4487400 -18.1909 -13.3807 1.14694 -13.3808 78.2298 36.4983 1.14681 36.4981 -74.3766 GPRESSAVG: 4487400 -18.8427 -14.8315 -0.172497 -11.4764 78.63 35.6397 2.94841 35.1083 -74.8919 TIMING: 4487400 CPU: 13480.1, 0.00295013/step Wall: 13480.1, 0.00295013/step, 0.420066 hours remaining, 209.640625 MB of memory in use. ENERGY: 4487400 766.0484 2052.8879 1967.3060 100.7599 -205628.6213 17219.8407 0.0000 0.0000 34074.0460 -149447.7323 297.5771 -183521.7783 -149347.8316 298.5242 -315.8954 -281.9043 557907.0542 -4.7792 -5.0349 PRESSURE: 4487600 -204.389 -66.3878 -118.022 -66.3879 139.09 92.4593 -118.021 92.4597 36.1505 GPRESSURE: 4487600 -171.792 -191.795 -92.2195 -50.9892 217.208 61.7833 -134.585 85.6335 11.871 PRESSAVG: 4487600 -36.9883 -8.74635 -48.3051 -8.74621 46.6911 86.4925 -48.3051 86.4926 4.81242 GPRESSAVG: 4487600 -37.5256 -7.74502 -47.2575 -11.3412 47.6244 84.5767 -49.0641 87.38 4.50143 TIMING: 4487600 CPU: 13480.7, 0.00295634/step Wall: 13480.7, 0.00295634/step, 0.420786 hours remaining, 209.640625 MB of memory in use. ENERGY: 4487600 767.9368 2089.4773 1958.6082 118.5609 -206343.7529 17829.3131 0.0000 0.0000 34294.4848 -149285.3718 299.5023 -183579.8566 -149184.5591 299.0303 -9.7162 19.0957 556630.2263 4.8384 4.8668 PRESSURE: 4487800 148.617 44.2937 -50.0476 44.2941 -312.499 -89.6881 -50.0479 -89.6887 31.9298 GPRESSURE: 4487800 119.938 62.6443 -50.168 43.8242 -214.739 -8.15369 -29.4545 -183.201 66.1127 PRESSAVG: 4487800 -26.613 7.21997 -17.4473 7.22003 35.204 3.55778 -17.4472 3.55788 -50.9816 GPRESSAVG: 4487800 -26.6121 8.80972 -18.8622 7.69262 34.4378 5.41695 -17.4341 2.86331 -50.2825 TIMING: 4487800 CPU: 13481.3, 0.00294059/step Wall: 13481.3, 0.00294059/step, 0.418381 hours remaining, 209.640625 MB of memory in use. ENERGY: 4487800 747.9052 2056.2474 1959.2453 122.1525 -206205.7859 17699.2246 0.0000 0.0000 34337.2981 -149283.7128 299.8762 -183621.0109 -149181.6725 298.8521 -43.9842 -9.5627 557513.9380 -14.1302 -14.1523 PRESSURE: 4488000 -126.214 109.596 -39.5755 109.596 -95.2073 267.869 -39.5754 267.867 -119.907 GPRESSURE: 4488000 9.37823 64.5336 -18.0913 93.8618 -103.556 277.004 -19.9212 211.566 -139.48 PRESSAVG: 4488000 51.8878 66.1239 19.3018 66.1239 -20.0311 -2.56926 19.3018 -2.56927 -57.0236 GPRESSAVG: 4488000 52.5026 66.4981 19.7234 65.069 -20.026 -4.47171 19.6407 -2.35171 -57.5174 TIMING: 4488000 CPU: 13481.9, 0.00293671/step Wall: 13481.9, 0.00293671/step, 0.417665 hours remaining, 209.640625 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: 4488000 753.0999 2093.8265 1934.9630 123.8187 -206165.4832 17676.4745 0.0000 0.0000 34091.9820 -149491.3186 297.7338 -183583.3006 -149392.6505 299.2278 -113.7760 -77.8860 555884.9178 -8.3890 -8.3469 PRESSURE: 4488200 -72.0879 2.84403 88.3433 2.84451 -249.759 162.333 88.3432 162.332 -351.56 GPRESSURE: 4488200 -84.8475 -28.6976 80.1536 -23.0626 -235.806 176.854 65.1839 200.479 -257.267 PRESSAVG: 4488200 36.8102 37.114 25.713 37.114 43.101 30.3103 25.7129 30.3103 -63.7239 GPRESSAVG: 4488200 37.8912 38.7905 25.6113 35.5427 42.9562 32.5173 24.6108 29.4343 -64.5245 TIMING: 4488200 CPU: 13482.5, 0.00293374/step Wall: 13482.5, 0.00293374/step, 0.417079 hours remaining, 209.640625 MB of memory in use. ENERGY: 4488200 773.8361 2103.7875 1949.6702 117.4942 -205989.0310 17418.4822 0.0000 0.0000 33999.0608 -149626.6999 296.9223 -183625.7607 -149526.9052 298.7499 -224.4691 -192.6400 555829.6246 5.3958 5.4410 LDB: ============= START OF LOAD BALANCING ============== 13486 LDB: ============== END OF LOAD BALANCING =============== 13486 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13486 LDB: ============= START OF LOAD BALANCING ============== 13486.3 LDB: Largest compute 4773 load 0.027698 is 23.4% of average load 0.118155 LDB: Average compute 0.001741 is 1.5% of average load 0.118155 LDB: TIME 13486.3 LOAD: AVG 0.118155 MAX 0.204318 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.98 MB LDB: TIME 13486.3 LOAD: AVG 0.118155 MAX 0.204318 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.113 MB LDB: TIME 13486.3 LOAD: AVG 0.118155 MAX 0.204318 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.113 MB LDB: ============== END OF LOAD BALANCING =============== 13486.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13486.3 PRESSURE: 4488400 80.2152 76.1925 -88.2934 76.1913 -40.2323 68.4098 -88.2931 68.4106 242.68 GPRESSURE: 4488400 121.545 65.0205 -51.0444 23.4761 -3.01918 55.1864 -72.0306 66.2573 268.942 PRESSAVG: 4488400 4.75658 -44.1509 1.8485 -44.1509 -64.1215 0.952941 1.84856 0.952937 60.3911 GPRESSAVG: 4488400 2.84298 -44.7415 1.07351 -43.4926 -64.0419 0.682919 3.41817 3.51201 61.601 TIMING: 4488400 CPU: 13483.1, 0.00300768/step Wall: 13483.1, 0.00300768/step, 0.427424 hours remaining, 208.523438 MB of memory in use. ENERGY: 4488400 726.0114 2089.6178 1949.4659 114.5106 -206532.5339 17892.6505 0.0000 0.0000 34208.9225 -149551.3552 298.7550 -183760.2777 -149451.9062 298.2743 94.2209 129.1560 556865.4633 0.3421 0.1340 PRESSURE: 4488600 34.5444 14.9371 -143.207 14.937 184.766 -15.4694 -143.208 -15.4694 133.315 GPRESSURE: 4488600 81.866 6.20796 -62.2256 72.2981 233.347 6.53352 -151.821 -4.21776 131.051 PRESSAVG: 4488600 38.0925 40.3885 -29.4236 40.3885 -0.151282 -5.96186 -29.4236 -5.96182 -23.9892 GPRESSAVG: 4488600 39.3727 40.6382 -29.5393 40.2926 -0.530997 -6.08513 -30.4837 -7.34011 -24.6237 TIMING: 4488600 CPU: 13483.7, 0.00296634/step Wall: 13483.7, 0.00296634/step, 0.421384 hours remaining, 208.726562 MB of memory in use. ENERGY: 4488600 729.9057 2104.2320 1939.3132 115.7354 -206371.2018 17866.7036 0.0000 0.0000 34093.7175 -149521.5945 297.7489 -183615.3119 -149423.9727 298.2830 117.5419 148.7548 555782.8419 4.6507 4.7393 PRESSURE: 4488800 -57.7761 -129.637 -54.1209 -129.639 227.722 94.0827 -54.1213 94.0822 36.5369 GPRESSURE: 4488800 11.1888 -120.621 -105.675 -112.253 257.49 164.99 17.5167 9.5237 36.3368 PRESSAVG: 4488800 19.9797 12.604 -12.6918 12.6041 25.5508 -19.3814 -12.6918 -19.3814 -31.5491 GPRESSAVG: 4488800 20.1418 10.6522 -13.6509 13.2468 25.3512 -19.0321 -11.3889 -20.0259 -31.4987 TIMING: 4488800 CPU: 13484.3, 0.00297994/step Wall: 13484.3, 0.00297994/step, 0.423152 hours remaining, 208.726562 MB of memory in use. ENERGY: 4488800 720.2930 2113.1074 1946.8117 126.4794 -206082.9752 17713.6592 0.0000 0.0000 34136.4074 -149326.2170 298.1217 -183462.6244 -149241.2389 298.5881 68.8275 101.6720 556000.0699 4.6605 4.6647 PRESSURE: 4489000 -228.441 8.80323 -94.0258 8.80439 -106.413 -80.4216 -94.0253 -80.4205 -112.281 GPRESSURE: 4489000 -187.782 -17.3498 -122.262 19.1538 -101.484 -53.8783 -111.782 -54.7111 -53.9921 PRESSAVG: 4489000 -23.9391 -2.97435 -33.9273 -2.97451 93.832 -16.218 -33.9273 -16.218 -10.5021 GPRESSAVG: 4489000 -23.7902 -2.23369 -32.6227 -2.67434 94.52 -16.9475 -36.1692 -15.7717 -10.9576 TIMING: 4489000 CPU: 13484.9, 0.00296319/step Wall: 13484.9, 0.0029632/step, 0.420609 hours remaining, 208.726562 MB of memory in use. ENERGY: 4489000 748.4477 2115.3147 1926.5227 122.8355 -205916.6728 17612.5496 0.0000 0.0000 34086.1590 -149304.8437 297.6829 -183391.0027 -149205.3159 298.8548 -149.0453 -114.4193 557653.3781 19.7969 19.9240 PRESSURE: 4489200 145.555 -85.4218 -85.2436 -85.4205 322.665 14.5911 -85.2438 14.5908 -258.007 GPRESSURE: 4489200 181.961 -157.171 -38.7387 24.9113 355.014 -15.1818 -149.479 72.6591 -225.456 PRESSAVG: 4489200 22.4259 29.723 -15.7648 29.7229 -10.0413 -9.30903 -15.7649 -9.30906 -0.42796 GPRESSAVG: 4489200 21.8288 29.1814 -16.2042 29.7839 -10.0009 -8.18771 -14.4042 -8.50554 -0.240603 TIMING: 4489200 CPU: 13485.5, 0.00295254/step Wall: 13485.5, 0.00295254/step, 0.418933 hours remaining, 208.726562 MB of memory in use. ENERGY: 4489200 751.3693 2122.1950 1954.3012 115.1335 -206135.0441 17857.7070 0.0000 0.0000 34022.3168 -149312.0214 297.1254 -183334.3382 -149216.7703 298.6449 70.0711 103.8397 556321.4978 3.9856 3.8624 PRESSURE: 4489400 -109.421 3.30781 60.1752 3.30762 -434.124 -138.135 60.175 -138.135 64.7887 GPRESSURE: 4489400 -116.071 -16.0815 -18.2668 63.7181 -305.105 -160.093 74.7857 -83.9258 58.0143 PRESSAVG: 4489400 57.4454 -41.9774 -4.3448 -41.9774 -70.0282 -38.5793 -4.34481 -38.5793 15.2212 GPRESSAVG: 4489400 57.2294 -42.9222 -5.18898 -42.2844 -68.6643 -39.572 -5.31128 -37.6027 14.2952 TIMING: 4489400 CPU: 13486.1, 0.00297934/step Wall: 13486.1, 0.00297934/step, 0.42257 hours remaining, 208.726562 MB of memory in use. ENERGY: 4489400 747.2686 2120.0118 1931.9055 106.6164 -206141.3382 17665.3451 0.0000 0.0000 34277.7112 -149292.4796 299.3558 -183570.1908 -149190.7936 299.0666 -159.5854 -121.0539 557564.8631 0.8795 0.9534 PRESSURE: 4489600 -132.048 36.8723 -147.933 36.8728 -105.104 12.2124 -147.933 12.2121 20.6879 GPRESSURE: 4489600 -101.934 9.28958 -65.3018 19.0103 -107.887 31.5141 -148.155 55.4812 94.3831 PRESSAVG: 4489600 6.19271 -6.91562 -106.658 -6.91566 -41.6283 -83.5972 -106.658 -83.5973 17.1271 GPRESSAVG: 4489600 7.38663 -5.8333 -104.745 -8.41873 -44.1954 -84.5274 -107.671 -84.5087 18.273 TIMING: 4489600 CPU: 13486.6, 0.00296382/step Wall: 13486.6, 0.00296382/step, 0.420204 hours remaining, 208.726562 MB of memory in use. ENERGY: 4489600 735.8348 2094.9577 1924.9449 113.7981 -206110.8996 17589.3812 0.0000 0.0000 34385.6760 -149266.3068 300.2987 -183651.9828 -149175.7386 299.0828 -72.1547 -38.4793 557033.5359 -6.1028 -6.1786 PRESSURE: 4489800 377.592 -51.2632 -181.562 -51.2638 3.23247 88.465 -181.562 88.4657 105.013 GPRESSURE: 4489800 385.897 10.2722 -149.264 -132.111 -1.04298 16.5405 -79.2425 152.767 199.589 PRESSAVG: 4489800 -50.3442 -18.1352 -43.8438 -18.1353 53.3568 -38.7037 -43.8438 -38.7036 -9.53933 GPRESSAVG: 4489800 -51.4534 -15.8009 -44.0533 -17.1422 53.8857 -36.6046 -43.7455 -39.7668 -8.72956 TIMING: 4489800 CPU: 13487.2, 0.0029729/step Wall: 13487.2, 0.0029729/step, 0.421326 hours remaining, 208.726562 MB of memory in use. ENERGY: 4489800 738.7137 2025.1874 1958.5225 110.9828 -206662.1155 18107.4291 0.0000 0.0000 34266.2743 -149455.0057 299.2559 -183721.2800 -149359.1511 299.0439 161.9459 194.8145 555390.0504 -2.1756 -2.0991 PRESSURE: 4490000 -329.21 12.0935 -56.711 12.0923 -163.068 25.0472 -56.7115 25.0469 -241.215 GPRESSURE: 4490000 -295.321 -20.4428 -123.595 -56.1665 -131.623 20.6551 -14.1462 -92.0077 -200.898 PRESSAVG: 4490000 4.53206 36.708 -24.8615 36.708 24.7614 11.809 -24.8616 11.8091 29.1588 GPRESSAVG: 4490000 4.09836 37.0116 -27.1671 35.7355 26.286 9.69634 -21.6266 12.1366 28.0051 TIMING: 4490000 CPU: 13487.8, 0.00296353/step Wall: 13487.8, 0.00296353/step, 0.419834 hours remaining, 208.726562 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: 4490000 740.7183 2070.8978 1970.9482 104.4556 -205876.5646 17475.3425 0.0000 0.0000 34049.0955 -149465.1066 297.3592 -183514.2021 -149372.3650 298.3387 -244.4973 -209.2805 558020.8883 19.4841 19.4632 PRESSURE: 4490200 81.4483 -163.29 46.0242 -163.29 -121.277 -29.9704 46.0237 -29.9709 -29.6855 GPRESSURE: 4490200 119.586 -131.213 190.828 -249.795 -64.2225 -22.4612 -27.0069 -30.1267 -26.3502 PRESSAVG: 4490200 -84.9143 -2.31909 23.8608 -2.31912 -5.02306 -53.3606 23.8608 -53.3606 30.3059 GPRESSAVG: 4490200 -83.9455 -3.43226 27.7532 -1.50188 -6.58211 -52.155 22.8665 -51.2913 30.9389 TIMING: 4490200 CPU: 13488.4, 0.00297611/step Wall: 13488.4, 0.00297611/step, 0.421451 hours remaining, 208.726562 MB of memory in use. ENERGY: 4490200 737.5267 2121.4092 1968.9033 122.7932 -206381.8349 17808.0958 0.0000 0.0000 34148.6405 -149474.4661 298.2286 -183623.1066 -149380.8997 298.8411 -23.1714 9.6711 556819.7306 -19.8772 -19.8629 PRESSURE: 4490400 -81.271 -60.2159 60.5022 -60.2169 -49.7892 41.0774 60.5018 41.079 142.153 GPRESSURE: 4490400 -89.8645 -121.171 132.99 53.4241 29.42 58.3514 42.8609 61.9549 175.987 PRESSAVG: 4490400 -42.9022 -35.331 37.871 -35.3309 -57.5287 -44.832 37.871 -44.832 63.0539 GPRESSAVG: 4490400 -43.985 -37.5099 37.3644 -33.6737 -56.2102 -44.3867 35.9523 -46.102 62.9295 TIMING: 4490400 CPU: 13489, 0.00293964/step Wall: 13489, 0.00293964/step, 0.416122 hours remaining, 208.726562 MB of memory in use. ENERGY: 4490400 725.1241 2024.8604 1942.4286 109.2696 -206530.0755 18063.4331 0.0000 0.0000 34264.8815 -149400.0783 299.2437 -183664.9597 -149305.9429 298.5672 3.6976 38.5142 556989.2692 -12.4590 -12.4219 PRESSURE: 4490600 -3.67261 -77.9351 -76.1527 -77.935 -230.164 135.447 -76.154 135.447 -5.29699 GPRESSURE: 4490600 10.8525 -87.7675 -140.953 -10.5943 -207.479 111.067 -104.23 131.313 50.1547 PRESSAVG: 4490600 -1.88554 33.3109 19.4732 33.311 -64.0581 -34.4413 19.4732 -34.4411 85.6905 GPRESSAVG: 4490600 -0.515551 35.5901 20.3311 31.3397 -64.8327 -34.5822 21.5056 -36.8474 84.9245 TIMING: 4490600 CPU: 13489.6, 0.0029796/step Wall: 13489.6, 0.0029796/step, 0.421614 hours remaining, 208.726562 MB of memory in use. ENERGY: 4490600 736.9184 2052.8252 1953.6036 123.8469 -205927.6129 17690.1179 0.0000 0.0000 34165.4109 -149204.8899 298.3750 -183370.3008 -149112.9671 298.9154 -79.7112 -48.8239 556474.0126 6.5823 6.5254 PRESSURE: 4490800 -56.7943 76.9689 29.8595 76.9703 -112.789 131.871 29.8596 131.871 -172.259 GPRESSURE: 4490800 -33.8113 20.7889 28.598 81.0761 -67.6835 106.941 15.1774 152.261 -147.551 PRESSAVG: 4490800 -16.4574 21.5891 1.80206 21.5892 26.8084 -58.9257 1.80205 -58.9257 17.8625 GPRESSAVG: 4490800 -17.2604 20.1405 2.51507 21.869 26.7759 -59.9033 -1.40284 -56.5889 18.414 TIMING: 4490800 CPU: 13490.2, 0.00295692/step Wall: 13490.2, 0.00295692/step, 0.41824 hours remaining, 208.726562 MB of memory in use. ENERGY: 4490800 715.9025 2075.8416 1948.0922 118.2616 -205642.1919 17438.3467 0.0000 0.0000 34319.2636 -149026.4837 299.7187 -183345.7473 -148922.1662 299.6606 -113.9474 -83.0151 557703.3066 9.4045 9.3098 PRESSURE: 4491000 -30.6417 44.0157 -111.47 44.0172 70.5497 -110.292 -111.472 -110.293 85.4369 GPRESSURE: 4491000 -10.9748 19.9859 -40.6826 17.5498 98.4336 -107.082 -203.647 -86.2949 123.714 PRESSAVG: 4491000 48.9773 -23.3981 -36.8262 -23.3982 -19.9055 53.5447 -36.8262 53.5447 -52.2275 GPRESSAVG: 4491000 48.23 -23.4369 -39.1337 -21.1581 -19.7271 53.4505 -33.32 53.3333 -51.606 TIMING: 4491000 CPU: 13490.8, 0.00298717/step Wall: 13490.8, 0.00298717/step, 0.422352 hours remaining, 208.726562 MB of memory in use. ENERGY: 4491000 733.2827 2066.8954 1944.0050 105.6506 -205914.2802 17685.0320 0.0000 0.0000 34284.3635 -149095.0510 299.4139 -183379.4145 -148992.8878 299.8832 41.7817 70.3909 557441.4479 -7.7185 -7.7010 PRESSURE: 4491200 -176.783 -88.1622 -198.028 -88.1622 -29.8213 1.52436 -198.026 1.52495 -177.943 GPRESSURE: 4491200 -134.298 -48.6548 -212.879 -156.533 -40.8889 19.9356 -199.525 19.7127 -122.366 PRESSAVG: 4491200 -7.97583 -77.0783 -0.0183805 -77.0782 -26.1253 13.5825 -0.0183596 13.5824 30.8756 GPRESSAVG: 4491200 -7.26904 -76.2964 -1.49987 -78.7241 -26.2622 12.085 -1.85741 15.1677 31.0075 TIMING: 4491200 CPU: 13491.4, 0.00294744/step Wall: 13491.4, 0.00294744/step, 0.416571 hours remaining, 208.726562 MB of memory in use. ENERGY: 4491200 760.2022 2108.0452 1937.6038 96.9280 -205744.8434 17584.1846 0.0000 0.0000 33999.2075 -149258.6721 296.9235 -183257.8796 -149169.8994 298.5379 -128.1824 -99.1845 557060.8365 -1.0752 -0.8413 PRESSURE: 4491400 74.842 -6.21577 -65.4738 -6.21611 -182.123 5.29839 -65.474 5.29839 108.573 GPRESSURE: 4491400 151.174 44.8987 -22.0079 -49.0514 -190.848 -31.3562 -62.193 65.4321 142.647 PRESSAVG: 4491400 52.2936 -12.3985 37.67 -12.3986 -43.2488 4.13092 37.67 4.13085 -25.5221 GPRESSAVG: 4491400 52.7152 -11.7437 40.816 -12.9295 -42.2621 7.76108 36.809 1.26211 -26.5449 TIMING: 4491400 CPU: 13492, 0.00294326/step Wall: 13492, 0.00294326/step, 0.415818 hours remaining, 208.726562 MB of memory in use. ENERGY: 4491400 807.3171 2114.1905 1926.2930 104.3347 -205972.4361 17698.3403 0.0000 0.0000 34254.8151 -149067.1454 299.1558 -183321.9604 -148980.0772 299.3914 0.4307 34.3241 555650.3525 -5.4924 -5.3639 PRESSURE: 4491600 -70.2276 -113.07 123.277 -113.067 -203.452 -35.1653 123.276 -35.1663 55.3932 GPRESSURE: 4491600 40.9881 -140.645 214.927 -11.6243 -196.018 -30.8572 124.341 -78.4185 36.7468 PRESSAVG: 4491600 -2.90045 -17.5852 35.7843 -17.5852 -37.3049 -41.9425 35.7842 -41.9425 5.84988 GPRESSAVG: 4491600 -2.26597 -18.9647 35.4493 -16.6107 -38.5838 -43.3266 37.9068 -41.6259 6.31413 TIMING: 4491600 CPU: 13492.6, 0.00293445/step Wall: 13492.6, 0.00293445/step, 0.41441 hours remaining, 208.726562 MB of memory in use. ENERGY: 4491600 786.1075 2096.0219 1950.8047 109.1562 -206264.7339 17868.0054 0.0000 0.0000 34415.4209 -149039.2173 300.5584 -183454.6382 -148939.1499 299.9414 -72.7620 -39.4277 557257.0765 -11.4518 -11.5119 PRESSURE: 4491800 39.1407 -47.1822 92.6581 -47.181 27.0372 -38.6238 92.6575 -38.6254 -84.3702 GPRESSURE: 4491800 56.0801 29.8353 121.568 -112.019 78.0926 40.9852 9.44507 -88.9985 -57.5936 PRESSAVG: 4491800 34.8305 -28.5695 -8.92671 -28.5694 -33.1671 43.9603 -8.92661 43.9602 1.00298 GPRESSAVG: 4491800 35.1692 -27.2805 -8.66096 -31.779 -33.4343 44.5948 -9.6902 44.1265 1.17888 TIMING: 4491800 CPU: 13493.2, 0.00294462/step Wall: 13493.2, 0.00294462/step, 0.415683 hours remaining, 208.726562 MB of memory in use. ENERGY: 4491800 743.2129 2074.6860 1938.4856 103.5823 -206315.1057 17910.1629 0.0000 0.0000 34258.2719 -149286.7041 299.1860 -183544.9760 -149186.7460 300.1332 -6.0641 25.5264 557771.7662 0.8888 0.9712 PRESSURE: 4492000 232.611 -70.0654 41.2241 -70.0672 18.298 -54.2353 41.2231 -54.2348 250.992 GPRESSURE: 4492000 244.696 35.3091 86.8957 -156.633 119.892 -92.2616 4.95908 -62.1423 239.335 PRESSAVG: 4492000 28.0704 1.92456 27.6036 1.92444 -33.7002 -51.3154 27.6036 -51.3154 -17.2872 GPRESSAVG: 4492000 27.0384 0.839633 26.7708 5.01939 -33.0651 -52.0432 28.2186 -51.184 -17.8159 TIMING: 4492000 CPU: 13493.8, 0.00295846/step Wall: 13493.8, 0.00295846/step, 0.417471 hours remaining, 208.726562 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: 4492000 734.6129 2067.7694 1932.9146 112.5761 -206507.9722 18052.4248 0.0000 0.0000 34332.7574 -149274.9171 299.8365 -183607.6745 -149185.1479 299.3254 167.3004 201.3078 555613.5957 -7.6390 -7.9475 PRESSURE: 4492200 -106.283 -15.5171 82.4182 -15.5187 -313.462 108.188 82.4185 108.189 29.5632 GPRESSURE: 4492200 -91.0638 45.6885 10.9741 -54.2304 -329.322 108.554 155.506 141.236 138.171 PRESSAVG: 4492200 -51.9916 1.30066 7.37599 1.30074 -21.7744 51.5919 7.37587 51.592 110.89 GPRESSAVG: 4492200 -52.3268 4.22152 7.34992 -0.413637 -20.6136 51.3226 8.51651 50.8575 110.499 TIMING: 4492200 CPU: 13494.3, 0.00295149/step Wall: 13494.3, 0.00295149/step, 0.416324 hours remaining, 208.726562 MB of memory in use. ENERGY: 4492200 776.2740 2047.3373 1965.4116 115.8880 -205788.5826 17560.1279 0.0000 0.0000 34022.3729 -149301.1709 297.1258 -183323.5438 -149208.7097 299.1094 -130.0605 -94.0715 556881.7754 12.3747 12.5195 LDB: ============= START OF LOAD BALANCING ============== 13497.9 LDB: ============== END OF LOAD BALANCING =============== 13497.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13497.9 LDB: ============= START OF LOAD BALANCING ============== 13498.2 LDB: Largest compute 4773 load 0.027723 is 23.5% of average load 0.118153 LDB: Average compute 0.001730 is 1.5% of average load 0.118153 LDB: TIME 13498.2 LOAD: AVG 0.118153 MAX 0.207083 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.465 MB LDB: TIME 13498.2 LOAD: AVG 0.118153 MAX 0.207083 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.668 MB LDB: TIME 13498.2 LOAD: AVG 0.118153 MAX 0.207083 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.668 MB LDB: ============== END OF LOAD BALANCING =============== 13498.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13498.2 PRESSURE: 4492400 68.1396 -36.5623 89.2222 -36.5634 -268.95 151.984 89.2208 151.986 138.991 GPRESSURE: 4492400 136.417 -92.2386 113.253 -57.5177 -258.202 133.164 119.828 93.3468 156.984 PRESSAVG: 4492400 12.667 35.3778 59.7231 35.3778 -48.6854 38.2672 59.723 38.2672 -53.3937 GPRESSAVG: 4492400 13.7811 33.3174 60.3361 34.1355 -50.2949 39.1939 60.0083 36.8174 -53.099 TIMING: 4492400 CPU: 13494.9, 0.00302211/step Wall: 13494.9, 0.00302211/step, 0.426117 hours remaining, 209.746094 MB of memory in use. ENERGY: 4492400 740.0328 2067.1811 1957.4986 125.1282 -206142.6780 17878.1962 0.0000 0.0000 34236.4540 -149138.1872 298.9955 -183374.6411 -149043.0940 299.0898 -20.6065 11.7327 557883.4800 -29.8040 -29.8709 PRESSURE: 4492600 137.082 75.6742 -231.55 75.6735 -15.9984 -8.54422 -231.55 -8.54445 217.26 GPRESSURE: 4492600 172.365 236.84 -151.756 12.5554 25.3341 51.4649 -165.386 -49.7809 221.396 PRESSAVG: 4492600 60.5842 22.4266 16.821 22.4267 -67.8415 58.1581 16.821 58.1582 26.317 GPRESSAVG: 4492600 59.5317 23.4756 14.7253 22.9569 -65.6877 57.8686 17.683 59.8212 24.9445 TIMING: 4492600 CPU: 13495.5, 0.00294157/step Wall: 13495.5, 0.00294157/step, 0.414598 hours remaining, 209.949219 MB of memory in use. ENERGY: 4492600 718.5965 2081.6260 1968.5319 132.6192 -206365.9497 18036.7725 0.0000 0.0000 34358.8438 -149068.9599 300.0643 -183427.8037 -148967.7734 298.9709 112.7810 139.6983 558309.7496 6.3532 6.2628 PRESSURE: 4492800 -114.197 -112.658 143.826 -112.659 -211.264 106.482 143.828 106.484 -93.8917 GPRESSURE: 4492800 -94.129 -185.746 105.387 13.9426 -151.968 47.1998 214.47 156.318 -67.4549 PRESSAVG: 4492800 -4.72479 19.028 76.8537 19.0279 -32.5079 5.08404 76.8537 5.08398 70.1533 GPRESSAVG: 4492800 -4.50654 17.6979 79.4193 19.4056 -33.6961 4.41104 73.9519 4.70009 70.1668 TIMING: 4492800 CPU: 13496.1, 0.00296866/step Wall: 13496.1, 0.00296866/step, 0.418251 hours remaining, 209.949219 MB of memory in use. ENERGY: 4492800 758.2700 2044.6454 1926.3466 114.3629 -206187.6038 17881.6855 0.0000 0.0000 34309.5492 -149152.7442 299.6338 -183462.2934 -149053.9534 299.3458 -139.7844 -104.5172 559778.4831 10.9735 10.6547 PRESSURE: 4493000 26.6517 28.9394 137.725 28.9388 -116.971 22.242 137.726 22.2436 79.8017 GPRESSURE: 4493000 81.1041 25.675 148.068 -13.6494 -129.298 -3.64447 109.25 -38.6959 114.895 PRESSAVG: 4493000 41.7749 -34.4589 34.9001 -34.4589 -7.47966 -26.9412 34.9002 -26.9413 -21.0942 GPRESSAVG: 4493000 41.9757 -31.2518 33.0986 -35.4728 -8.38187 -25.8975 35.9942 -27.5772 -20.5807 TIMING: 4493000 CPU: 13496.7, 0.00297299/step Wall: 13496.7, 0.00297299/step, 0.418697 hours remaining, 209.949219 MB of memory in use. ENERGY: 4493000 757.5023 2067.5319 1941.3419 100.2412 -206394.6394 17936.7877 0.0000 0.0000 34381.9585 -149209.2760 300.2662 -183591.2345 -149107.7160 299.6581 -3.5058 22.2336 558332.3948 4.4003 4.3377 PRESSURE: 4493200 69.045 78.2498 94.008 78.2515 -296.774 -41.1778 94.0083 -41.1762 -222.088 GPRESSURE: 4493200 112.258 64.9366 122.694 106.324 -250.713 -21.6459 38.5532 -6.50366 -212.49 PRESSAVG: 4493200 20.7396 17.3471 24.6945 17.3471 -39.5235 -50.9285 24.6946 -50.9285 11.2804 GPRESSAVG: 4493200 19.8956 16.5353 26.3729 17.4883 -39.2839 -51.3796 23.6778 -51.644 11.6024 TIMING: 4493200 CPU: 13497.3, 0.00295582/step Wall: 13497.3, 0.00295582/step, 0.416114 hours remaining, 209.949219 MB of memory in use. ENERGY: 4493200 725.1787 2075.4027 1944.4855 123.2869 -205834.4578 17523.7678 0.0000 0.0000 34149.8120 -149292.5242 298.2388 -183442.3362 -149200.0893 299.1867 -149.9389 -116.9816 559121.6990 -2.5012 -2.5953 PRESSURE: 4493400 -263.972 58.9556 -125.143 58.9552 -99.5466 12.5995 -125.141 12.5973 -167.188 GPRESSURE: 4493400 -204.082 3.73059 -45.8107 -61.623 -106.367 -9.78783 -197.86 58.2899 -126.02 PRESSAVG: 4493400 34.8573 -13.0705 29.9276 -13.0705 -28.8245 -18.7324 29.9275 -18.7326 -17.5149 GPRESSAVG: 4493400 35.0588 -16.6862 29.2799 -10.8252 -27.9424 -17.8732 30.855 -17.989 -18.5181 TIMING: 4493400 CPU: 13497.9, 0.00293977/step Wall: 13497.9, 0.00293977/step, 0.413691 hours remaining, 209.949219 MB of memory in use. ENERGY: 4493400 733.5689 2099.1499 1933.0108 131.1325 -205884.4672 17510.3928 0.0000 0.0000 34284.3713 -149192.8410 299.4139 -183477.2123 -149098.8442 299.7173 -176.9024 -145.4896 557832.0626 -3.8273 -3.8006 PRESSURE: 4493600 50.2614 36.8119 108.926 36.8121 -225.734 75.8046 108.927 75.8045 -195.769 GPRESSURE: 4493600 35.8291 46.3308 -35.3928 -4.22793 -183.55 77.9518 117.029 51.4311 -134.933 PRESSAVG: 4493600 25.1342 42.8236 13.2142 42.8236 -26.3563 36.6648 13.2142 36.6648 56.4325 GPRESSAVG: 4493600 26.1754 44.7628 13.9487 42.7249 -28.198 36.0227 13.5096 36.6896 57.1938 TIMING: 4493600 CPU: 13498.5, 0.00295914/step Wall: 13498.5, 0.00295914/step, 0.416253 hours remaining, 209.949219 MB of memory in use. ENERGY: 4493600 735.7955 2102.7668 1928.8870 119.4878 -206074.4754 17500.3516 0.0000 0.0000 34283.8221 -149403.3646 299.4091 -183687.1867 -149307.2996 299.2829 -123.7473 -94.2179 557067.5033 18.4035 18.3904 PRESSURE: 4493800 180.128 54.5743 -231.6 54.5743 -427.093 61.4922 -231.6 61.4921 -13.7824 GPRESSURE: 4493800 196.618 13.5607 -189.752 92.9809 -387.53 -8.25327 -290.997 123.715 28.4999 PRESSAVG: 4493800 45.9188 -38.1833 -15.3043 -38.1834 -83.023 45.7514 -15.3043 45.7512 69.8294 GPRESSAVG: 4493800 45.898 -37.9138 -13.2987 -40.304 -82.8685 45.9833 -18.2144 46.9493 69.4769 TIMING: 4493800 CPU: 13499.1, 0.00297427/step Wall: 13499.1, 0.00297427/step, 0.418215 hours remaining, 209.949219 MB of memory in use. ENERGY: 4493800 745.5172 2086.9986 1940.8342 108.4625 -206140.6790 17583.9664 0.0000 0.0000 34251.8031 -149423.0968 299.1295 -183674.9000 -149330.0000 299.0903 -86.9155 -54.1372 555199.9340 10.9084 10.8355 PRESSURE: 4494000 113.046 -3.94695 127.779 -3.94805 -153.419 39.37 127.78 39.3715 32.2739 GPRESSURE: 4494000 109.541 -28.1059 133.776 10.4091 -157.224 106.248 90.2646 88.0615 132.343 PRESSAVG: 4494000 70.5652 -49.4055 7.77963 -49.4055 -41.8743 24.085 7.7796 24.0851 0.987442 GPRESSAVG: 4494000 68.6474 -50.4783 4.90736 -49.2578 -41.7196 23.6385 9.6136 23.1504 2.53179 TIMING: 4494000 CPU: 13499.7, 0.00300297/step Wall: 13499.7, 0.00300297/step, 0.422084 hours remaining, 209.949219 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: 4494000 756.8590 2081.7955 1928.3141 116.9499 -206251.3050 17698.8355 0.0000 0.0000 34314.4482 -149354.1027 299.6766 -183668.5510 -149252.2206 298.9833 -2.6996 28.2201 557068.3929 9.8928 9.8199 PRESSURE: 4494200 126.834 187.634 -117.936 187.635 -64.0975 78.1496 -117.937 78.1511 82.1339 GPRESSURE: 4494200 125.494 83.514 -42.7975 230.976 -45.7267 135.214 -107.05 -22.9277 171.498 PRESSAVG: 4494200 44.9589 9.94661 -28.6936 9.94664 -36.3854 -3.15259 -28.6937 -3.15279 -22.1217 GPRESSAVG: 4494200 46.0375 9.89532 -29.1317 11.536 -36.2735 -2.21837 -27.5456 -4.53957 -23.8653 TIMING: 4494200 CPU: 13500.3, 0.00297295/step Wall: 13500.3, 0.00297295/step, 0.417699 hours remaining, 209.949219 MB of memory in use. ENERGY: 4494200 753.3303 2105.4605 1946.8501 124.9414 -206590.5711 17927.3341 0.0000 0.0000 34234.1551 -149498.4996 298.9754 -183732.6547 -149403.9441 299.3590 48.2902 83.7554 557048.6106 -4.5161 -4.7004 PRESSURE: 4494400 -234.716 26.7927 142.63 26.7926 -149.516 -8.49285 142.631 -8.49441 -384.175 GPRESSURE: 4494400 -199.551 -68.4946 154.888 30.6652 -90.917 88.2445 60.4504 35.829 -374.943 PRESSAVG: 4494400 60.9098 26.5561 26.7659 26.5561 -46.3957 48.1738 26.766 48.1739 35.868 GPRESSAVG: 4494400 61.1268 23.6383 25.746 25.7758 -46.2824 47.3264 28.1249 52.5845 36.0024 TIMING: 4494400 CPU: 13500.9, 0.00297805/step Wall: 13500.9, 0.00297805/step, 0.418251 hours remaining, 209.949219 MB of memory in use. ENERGY: 4494400 730.9444 2104.1219 1935.9079 120.7845 -206186.2976 17466.0848 0.0000 0.0000 34176.5520 -149651.9020 298.4723 -183828.4540 -149557.5846 299.0263 -256.1357 -221.8036 557673.3130 16.7940 16.9489 PRESSURE: 4494600 -20.1612 -156.392 110.56 -156.392 97.4924 143.611 110.559 143.611 39.9627 GPRESSURE: 4494600 13.1146 -122.787 -14.5915 -47.1575 101.788 151.136 224.478 43.3007 95.9215 PRESSAVG: 4494600 -21.9281 -10.768 -43.5259 -10.768 -22.6436 32.649 -43.526 32.6488 22.7621 GPRESSAVG: 4494600 -21.9909 -8.85693 -43.0864 -8.79731 -22.411 31.9361 -45.737 29.4145 22.5472 TIMING: 4494600 CPU: 13501.5, 0.0029587/step Wall: 13501.5, 0.0029587/step, 0.415369 hours remaining, 209.949219 MB of memory in use. ENERGY: 4494600 717.8537 2144.1350 1956.8771 107.4083 -206664.7064 17922.7900 0.0000 0.0000 34100.6477 -149714.9948 297.8094 -183815.6424 -149617.6354 298.1895 39.0979 70.2747 556920.2025 -7.2699 -7.2849 PRESSURE: 4494800 15.1468 -34.8386 32.6868 -34.8395 -62.1134 106.046 32.686 106.046 -120.213 GPRESSURE: 4494800 23.9777 10.1985 23.9117 47.1374 -6.69494 71.1521 -70.9184 50.4304 -92.3373 PRESSAVG: 4494800 -16.2544 -6.33207 14.1738 -6.33215 -12.6627 49.072 14.1738 49.072 42.053 GPRESSAVG: 4494800 -16.4441 -6.0579 16.0252 -9.09489 -13.0383 49.2643 13.4829 48.8429 42.6517 TIMING: 4494800 CPU: 13502.1, 0.00295662/step Wall: 13502.1, 0.00295662/step, 0.414913 hours remaining, 209.949219 MB of memory in use. ENERGY: 4494800 743.6192 2094.8727 1924.2670 102.6683 -206316.5844 17834.9564 0.0000 0.0000 33984.0350 -149632.1659 296.7910 -183616.2009 -149536.3620 298.5653 -55.7266 -25.0182 557742.2978 4.3786 4.3898 PRESSURE: 4495000 184.001 -95.806 -7.87207 -95.8063 36.8368 10.7661 -7.87187 10.7659 -45.9489 GPRESSURE: 4495000 207.79 -181.996 78.9222 -32.3656 68.561 50.2855 -62.8092 -19.8264 -4.523 PRESSAVG: 4495000 25.0028 -42.0205 67.1979 -42.0206 -10.2066 36.9318 67.1979 36.9317 -34.749 GPRESSAVG: 4495000 24.755 -42.764 66.6442 -41.2691 -9.35387 38.9485 66.8782 36.3701 -35.1456 TIMING: 4495000 CPU: 13502.7, 0.00294811/step Wall: 13502.7, 0.00294811/step, 0.413555 hours remaining, 209.949219 MB of memory in use. ENERGY: 4495000 716.8709 2115.9093 1936.1599 93.1523 -206474.0271 17918.1396 0.0000 0.0000 34156.8038 -149536.9912 298.2999 -183693.7950 -149444.1388 298.5998 58.2963 90.6093 556197.7464 -6.6509 -6.5815 PRESSURE: 4495200 84.3061 222.331 -108.539 222.332 209.868 228.852 -108.538 228.854 148.457 GPRESSURE: 4495200 140.147 165.173 -107.031 155.521 196.693 217.417 -174.593 225.191 194.099 PRESSAVG: 4495200 -23.3393 -0.867084 29.7962 -0.867117 -25.2259 45.9723 29.7963 45.9723 44.8466 GPRESSAVG: 4495200 -23.2158 1.75147 27.9202 -1.16704 -26.4175 43.5799 32.2438 47.237 45.6117 TIMING: 4495200 CPU: 13503.2, 0.00295827/step Wall: 13503.2, 0.00295827/step, 0.414816 hours remaining, 209.949219 MB of memory in use. ENERGY: 4495200 748.4921 2072.7637 1923.9623 112.1135 -206614.7526 18153.3556 0.0000 0.0000 34178.2025 -149425.8629 298.4867 -183604.0654 -149325.3516 298.0225 147.5435 176.9797 557486.1666 -1.2395 -1.3405 PRESSURE: 4495400 -250.128 64.3741 -85.9499 64.3751 -288.424 -121.515 -85.9491 -121.515 -85.9625 GPRESSURE: 4495400 -192.496 58.8753 -78.9043 96.7558 -286.973 -86.6197 -82.7115 -33.0295 -44.8381 PRESSAVG: 4495400 -38.031 -24.5098 29.5885 -24.5097 35.3767 12.5448 29.5885 12.5448 2.49246 GPRESSAVG: 4495400 -38.0636 -27.1877 29.958 -23.215 36.2776 12.9076 30.1512 15.2775 1.86871 TIMING: 4495400 CPU: 13503.8, 0.00294423/step Wall: 13503.8, 0.00294423/step, 0.412683 hours remaining, 209.949219 MB of memory in use. ENERGY: 4495400 736.9673 2082.6699 1908.5758 117.1591 -205959.4532 17486.6215 0.0000 0.0000 34252.2091 -149375.2505 299.1331 -183627.4596 -149276.6778 298.9324 -208.1717 -174.7688 557249.9695 -0.0539 0.0276 PRESSURE: 4495600 66.0344 71.9185 55.4724 71.9192 -179.607 -154.257 55.472 -154.257 6.89076 GPRESSURE: 4495600 109.246 64.35 28.2726 25.0644 -163.21 11.2571 31.6675 -186.025 37.6472 PRESSAVG: 4495600 -17.8356 22.001 -11.791 22.001 -42.4134 7.10647 -11.791 7.10658 50.6314 GPRESSAVG: 4495600 -16.8558 24.1773 -10.2648 21.0584 -42.7158 7.70163 -12.133 3.20836 50.4147 TIMING: 4495600 CPU: 13504.4, 0.00299267/step Wall: 13504.4, 0.00299267/step, 0.419307 hours remaining, 209.949219 MB of memory in use. ENERGY: 4495600 746.2048 2089.4492 1920.8236 110.3573 -206192.2216 17903.8695 0.0000 0.0000 34244.9072 -149176.6099 299.0693 -183421.5171 -149078.7664 299.1447 -35.5605 -5.4389 558392.0911 -3.2058 -3.0523 PRESSURE: 4495800 -212.271 -162.566 54.7099 -162.568 21.9623 -57.1603 54.7094 -57.1617 -3.59214 GPRESSURE: 4495800 -181.783 -134.753 89.9744 -148.315 45.7317 -81.5433 20.1114 -131.434 48.1295 PRESSAVG: 4495800 32.5092 24.7595 -51.0391 24.7595 -13.7853 -27.389 -51.039 -27.389 -31.7521 GPRESSAVG: 4495800 31.566 23.2067 -53.8363 23.9391 -13.9743 -26.8056 -50.1131 -27.4347 -30.7079 TIMING: 4495800 CPU: 13505, 0.00295881/step Wall: 13505, 0.00295881/step, 0.414398 hours remaining, 209.949219 MB of memory in use. ENERGY: 4495800 756.7158 2085.5654 1967.0093 113.2789 -206168.4776 17842.0588 0.0000 0.0000 34279.9666 -149123.8829 299.3755 -183403.8495 -149024.1553 299.7884 -64.6337 -29.3074 558203.9501 -4.3427 -4.3720 PRESSURE: 4496000 -115.07 -206.643 111.083 -206.641 42.1035 219.822 111.083 219.822 -187.999 GPRESSURE: 4496000 -100.279 -208.719 53.7628 -275.111 103.596 244.666 3.95531 117.016 -156.383 PRESSAVG: 4496000 -3.51367 -68.5058 -10.4741 -68.5058 -13.97 -8.31926 -10.4741 -8.31926 -3.56438 GPRESSAVG: 4496000 -3.47734 -69.0181 -6.85607 -68.3068 -13.6457 -9.93014 -13.0153 -6.96063 -5.1261 TIMING: 4496000 CPU: 13505.6, 0.00298763/step Wall: 13505.6, 0.00298763/step, 0.418269 hours remaining, 209.949219 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: 4496000 709.8960 2060.0156 1949.6483 96.6087 -206304.2466 17739.8400 0.0000 0.0000 34549.9041 -149198.3338 301.7329 -183748.2379 -149097.4510 299.1717 -86.9886 -51.0220 558274.2896 -7.0160 -7.4164 PRESSURE: 4496200 40.8924 -12.0796 7.52652 -12.0801 -191.124 79.5803 7.52833 79.5803 159.365 GPRESSURE: 4496200 67.8605 -67.11 70.2727 25.4074 -149.395 245.582 -70.0213 6.84067 193.324 PRESSAVG: 4496200 -49.3984 -55.5483 10.1053 -55.5484 34.2357 8.91682 10.1053 8.91679 -9.44651 GPRESSAVG: 4496200 -49.4507 -55.9015 8.03961 -53.3222 34.0237 11.4332 11.7421 7.92159 -9.07153 TIMING: 4496200 CPU: 13506.2, 0.00299648/step Wall: 13506.2, 0.00299648/step, 0.41934 hours remaining, 210.019531 MB of memory in use. ENERGY: 4496200 733.3339 2052.6487 1955.2797 111.5535 -205843.2120 17737.5057 0.0000 0.0000 34174.5107 -149078.3798 298.4545 -183252.8905 -148986.1966 299.3376 3.0443 37.2632 556941.8301 -8.2031 -8.1662 LDB: ============= START OF LOAD BALANCING ============== 13509.7 LDB: ============== END OF LOAD BALANCING =============== 13509.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13509.7 LDB: ============= START OF LOAD BALANCING ============== 13510 LDB: Largest compute 4773 load 0.029048 is 24.6% of average load 0.118101 LDB: Average compute 0.001729 is 1.5% of average load 0.118101 LDB: TIME 13510 LOAD: AVG 0.118101 MAX 0.2105 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.289 MB LDB: TIME 13510 LOAD: AVG 0.118101 MAX 0.2105 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.289 MB LDB: TIME 13510 LOAD: AVG 0.118101 MAX 0.2105 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.289 MB LDB: ============== END OF LOAD BALANCING =============== 13510 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13510 PRESSURE: 4496400 -188.067 -58.8563 8.75447 -58.8556 -126.739 -3.896 8.7535 -3.89634 -100.957 GPRESSURE: 4496400 -152.384 -147.709 -42.9846 -16.5274 -25.0876 64.059 34.8197 28.6909 -118.3 PRESSAVG: 4496400 73.9613 -49.1543 23.1131 -49.1543 -21.2388 17.358 23.1131 17.3579 4.96491 GPRESSAVG: 4496400 73.6866 -48.7997 25.0089 -49.5509 -21.133 16.5525 24.1445 19.5844 5.52753 TIMING: 4496400 CPU: 13506.8, 0.00304486/step Wall: 13506.8, 0.00304486/step, 0.425942 hours remaining, 208.976562 MB of memory in use. ENERGY: 4496400 802.3413 2096.6922 1948.2185 123.7734 -206403.2478 17838.5612 0.0000 0.0000 34413.3837 -149180.2775 300.5406 -183593.6611 -149084.3607 300.0796 -138.5877 -98.5905 557791.4570 19.2291 19.3604 PRESSURE: 4496600 -38.1808 63.2666 -147.287 63.2667 31.1625 141.848 -147.286 141.848 -67.3002 GPRESSURE: 4496600 -6.02516 45.553 -149.07 41.7398 78.8946 185.293 -49.8086 58.7733 -58.3581 PRESSAVG: 4496600 22.1404 -23.6489 0.933633 -23.6489 -1.04282 29.6457 0.933716 29.6456 -26.163 GPRESSAVG: 4496600 22.1679 -24.949 0.194152 -22.9376 -1.03184 28.8751 -1.17973 29.0995 -26.1277 TIMING: 4496600 CPU: 13507.4, 0.00297579/step Wall: 13507.4, 0.00297579/step, 0.416115 hours remaining, 209.234375 MB of memory in use. ENERGY: 4496600 749.3358 2103.7582 1926.0661 112.9391 -206229.8514 17750.5016 0.0000 0.0000 34400.8817 -149186.3689 300.4315 -183587.2506 -149086.0261 300.0931 -24.7728 4.8371 557119.4664 -1.6884 -1.6639 PRESSURE: 4496800 374.999 -25.3758 -55.4751 -25.376 182.758 97.1439 -55.4745 97.1415 -104.916 GPRESSURE: 4496800 390.209 65.3924 -105.515 -45.4631 252.903 130.761 -102.077 32.3727 -100.135 PRESSAVG: 4496800 39.2107 -2.15714 -25.2334 -2.15725 30.7949 22.8893 -25.2333 22.8893 -88.6375 GPRESSAVG: 4496800 39.4483 -0.154624 -26.9465 -2.78957 30.0992 24.0196 -22.8377 21.5853 -88.3655 TIMING: 4496800 CPU: 13508, 0.00297545/step Wall: 13508, 0.00297545/step, 0.415901 hours remaining, 209.234375 MB of memory in use. ENERGY: 4496800 720.8214 2118.1643 1936.3610 109.4397 -206252.7605 18052.7036 0.0000 0.0000 34229.2207 -149086.0497 298.9323 -183315.2704 -148998.6372 299.8555 150.9469 180.9923 558043.4166 -6.2106 -6.2727 PRESSURE: 4497000 89.3127 -228.335 58.9589 -228.334 -28.3345 -68.2402 58.9578 -68.2405 -197.892 GPRESSURE: 4497000 132.004 -204.039 63.9417 -255.209 -19.5889 -71.7668 105.999 -91.0723 -138.919 PRESSAVG: 4497000 54.5456 -33.535 -33.3394 -33.535 11.7347 13.2223 -33.3394 13.2224 -43.8141 GPRESSAVG: 4497000 54.5966 -32.0882 -32.246 -34.6505 12.0768 12.551 -34.1003 11.9382 -43.8114 TIMING: 4497000 CPU: 13508.6, 0.0029736/step Wall: 13508.6, 0.0029736/step, 0.415478 hours remaining, 209.234375 MB of memory in use. ENERGY: 4497000 772.1296 2102.3157 1970.3700 112.4305 -206028.8975 17743.1064 0.0000 0.0000 34362.6386 -148965.9069 300.0975 -183328.5454 -148870.6187 300.0082 -45.6378 -8.8349 558240.1556 7.4887 7.6207 PRESSURE: 4497200 -69.6971 83.7796 -81.0853 83.7792 71.0583 -85.0865 -81.0849 -85.0847 -35.2487 GPRESSURE: 4497200 13.3749 163.554 -10.6589 74.4011 59.8243 -5.21702 -58.5946 -70.046 -12.3195 PRESSAVG: 4497200 -19.2295 44.1252 -47.6648 44.1251 46.6154 19.9305 -47.6648 19.9305 -21.5572 GPRESSAVG: 4497200 -18.9693 43.3438 -48.4188 45.1731 46.2252 17.7637 -48.5496 21.9106 -21.6114 TIMING: 4497200 CPU: 13509.2, 0.00298063/step Wall: 13509.2, 0.00298063/step, 0.416295 hours remaining, 209.234375 MB of memory in use. ENERGY: 4497200 754.7952 2113.0484 1952.4986 108.2942 -206121.3622 17685.7377 0.0000 0.0000 34483.7295 -149023.2586 301.1550 -183506.9881 -148931.6060 299.6315 -11.2958 20.2933 557822.3362 1.9429 1.8815 PRESSURE: 4497400 67.758 51.334 15.6781 51.3343 158.938 89.5574 15.6776 89.5574 216.351 GPRESSURE: 4497400 167.702 39.8621 -11.0786 148.16 201.021 88.5815 58.6313 80.9026 175.547 PRESSAVG: 4497400 -7.38535 33.5643 0.54622 33.5643 78.7692 6.0187 0.546207 6.01862 -35.3713 GPRESSAVG: 4497400 -6.64648 33.1523 1.17495 32.1597 78.4393 7.47691 0.629208 6.54531 -36.2707 TIMING: 4497400 CPU: 13509.8, 0.0029927/step Wall: 13509.8, 0.0029927/step, 0.417814 hours remaining, 209.234375 MB of memory in use. ENERGY: 4497400 729.2358 2146.0880 1928.1006 115.9684 -206012.5043 17993.3531 0.0000 0.0000 34061.5461 -149038.2123 297.4680 -183099.7584 -148951.3975 299.9322 147.6824 181.4232 558532.3819 12.0042 11.8407 PRESSURE: 4497600 -97.1773 -63.7965 -103.914 -63.7979 -234.502 -41.8486 -103.914 -41.8507 35.5991 GPRESSURE: 4497600 -29.2314 -35.5659 -103.057 -131.89 -204.01 -119.707 -150.905 64.8716 23.066 PRESSAVG: 4497600 81.6253 41.4614 -48.4433 41.4614 31.2286 23.2917 -48.4433 23.2917 -61.8154 GPRESSAVG: 4497600 80.4585 41.7802 -49.4347 40.9721 32.0264 23.9035 -48.4026 21.8689 -61.7425 TIMING: 4497600 CPU: 13510.4, 0.00298721/step Wall: 13510.4, 0.00298721/step, 0.416881 hours remaining, 209.234375 MB of memory in use. ENERGY: 4497600 747.9926 2150.9945 1923.7825 105.6962 -205953.4529 17545.2143 0.0000 0.0000 34551.5540 -148928.2188 301.7473 -183479.7728 -148823.5826 299.7227 -98.6933 -70.0585 558379.7220 17.0128 16.9141 PRESSURE: 4497800 -25.8548 -104.452 -8.09749 -104.45 -162.094 79.7563 -8.09763 79.7583 312.847 GPRESSURE: 4497800 -14.6641 -30.5088 36.6635 -126.885 -93.4227 98.6573 13.1319 84.9859 335.261 PRESSAVG: 4497800 24.1497 50.596 -35.3422 50.596 -10.9442 10.5475 -35.3422 10.5476 -47.706 GPRESSAVG: 4497800 23.5974 51.3679 -34.3925 51.9459 -10.9074 10.8508 -35.8295 12.7294 -47.4896 TIMING: 4497800 CPU: 13511, 0.00297008/step Wall: 13511, 0.00297008/step, 0.414327 hours remaining, 209.234375 MB of memory in use. ENERGY: 4497800 761.0278 2102.2157 1909.8578 116.6702 -206022.4760 17762.6745 0.0000 0.0000 34478.6444 -148891.3855 301.1106 -183370.0299 -148792.2588 300.3726 41.6327 75.7247 557692.9577 -11.5002 -11.5998 PRESSURE: 4498000 -36.1622 -90.2707 145.567 -90.2689 -102.037 73.2368 145.566 73.2355 -288.91 GPRESSURE: 4498000 -41.8809 -69.0615 129.659 -151.453 -44.5228 21.5195 112.909 94.4201 -245.743 PRESSAVG: 4498000 -17.2441 -28.5214 -17.0074 -28.5215 -6.62597 -8.91363 -17.0073 -8.91361 29.5603 GPRESSAVG: 4498000 -16.5208 -31.6779 -19.5486 -27.9563 -7.22765 -10.7792 -14.6607 -9.0425 29.8261 TIMING: 4498000 CPU: 13511.6, 0.00297809/step Wall: 13511.6, 0.00297809/step, 0.415278 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: 4498000 798.4778 2105.3290 1915.3271 109.5936 -205826.2554 17602.0731 0.0000 0.0000 34252.2837 -149043.1711 299.1337 -183295.4549 -148953.9325 300.3009 -142.3698 -110.7157 557322.4151 1.8967 2.0259 PRESSURE: 4498200 -158.886 120.038 -27.5457 120.037 -5.66563 -69.5569 -27.5449 -69.5582 -30.703 GPRESSURE: 4498200 -114.796 183.965 -17.3823 76.9505 -13.0921 20.995 59.7968 -77.6327 35.1499 PRESSAVG: 4498200 21.647 13.7545 -9.74412 13.7544 25.156 30.108 -9.74418 30.1081 -36.2035 GPRESSAVG: 4498200 20.6694 15.7986 -7.76338 11.7417 25.1175 29.1062 -10.6454 31.8826 -35.6383 TIMING: 4498200 CPU: 13512.2, 0.00297956/step Wall: 13512.2, 0.00297956/step, 0.415318 hours remaining, 209.292969 MB of memory in use. ENERGY: 4498200 730.5870 2066.3969 1903.3589 101.0408 -206012.3418 17793.6703 0.0000 0.0000 34191.8918 -149225.3960 298.6063 -183417.2878 -149129.2006 299.7356 -65.0849 -30.9127 556973.8138 3.5332 3.3829 PRESSURE: 4498400 170.189 -91.9988 -11.8859 -91.9998 90.8234 80.3446 -11.8866 80.3438 11.3307 GPRESSURE: 4498400 197.498 -134.142 46.6411 -128.807 120.886 149.293 -58.5957 43.9499 56.2163 PRESSAVG: 4498400 -9.35475 10.6452 -1.74386 10.6452 -10.4363 -0.832883 -1.74381 -0.832832 43.5165 GPRESSAVG: 4498400 -8.96269 8.22972 -1.63692 13.2774 -10.2132 2.51728 -2.41421 -4.06938 43.2353 TIMING: 4498400 CPU: 13512.8, 0.00298164/step Wall: 13512.8, 0.00298164/step, 0.415441 hours remaining, 209.292969 MB of memory in use. ENERGY: 4498400 723.8891 2105.1924 1929.5802 113.5909 -206549.8252 18109.2829 0.0000 0.0000 34304.3563 -149263.9334 299.5885 -183568.2897 -149164.0711 299.6430 90.7811 124.8668 557244.7497 7.9085 8.0198 PRESSURE: 4498600 51.9969 -49.1716 23.767 -49.1705 -42.7093 48.7394 23.7672 48.7395 -27.8576 GPRESSURE: 4498600 90.8331 11.5803 39.4144 -52.746 41.6679 43.9567 60.7976 10.8727 -50.9958 PRESSAVG: 4498600 -17.8789 26.6752 -16.9925 26.6751 46.8498 37.0983 -16.9926 37.0982 4.48906 GPRESSAVG: 4498600 -18.0046 28.3686 -17.1291 24.1913 47.6541 36.1706 -15.5578 37.9876 3.90008 TIMING: 4498600 CPU: 13513.4, 0.00298048/step Wall: 13513.4, 0.00298048/step, 0.415115 hours remaining, 209.292969 MB of memory in use. ENERGY: 4498600 729.9942 2046.3455 1932.4048 108.3906 -206400.1093 17972.6898 0.0000 0.0000 34192.8878 -149417.3966 298.6150 -183610.2844 -149321.8929 299.7415 -6.1900 27.1684 557701.1704 11.1533 11.1832 PRESSURE: 4498800 43.4289 85.7484 -13.3268 85.7493 199.282 -138.696 -13.3283 -138.695 191.93 GPRESSURE: 4498800 81.9836 67.5699 23.8524 212.107 243.678 -137.132 10.9812 -196.572 203.602 PRESSAVG: 4498800 21.9426 64.7356 6.32073 64.7356 24.1194 29.5341 6.32074 29.5342 -37.3319 GPRESSAVG: 4498800 21.3673 63.4081 6.01143 67.2036 23.2906 29.543 3.11729 29.6904 -35.8499 TIMING: 4498800 CPU: 13514, 0.00297129/step Wall: 13514, 0.00297129/step, 0.41367 hours remaining, 209.292969 MB of memory in use. ENERGY: 4498800 699.0483 2061.1953 1945.6234 98.4953 -206299.9927 17843.5071 0.0000 0.0000 34156.3405 -149495.7828 298.2958 -183652.1233 -149404.2785 298.3407 144.8802 176.4213 556173.1745 2.9100 2.9360 PRESSURE: 4499000 -220.807 69.3888 -95.107 69.3891 -53.7634 58.9351 -95.1064 58.9363 -34.7414 GPRESSURE: 4499000 -195.526 95.1866 -99.5508 -35.9287 7.72148 83.7334 -16.5466 104.595 -11.6658 PRESSAVG: 4499000 11.3498 61.8649 11.5678 61.8649 -30.7658 -17.2884 11.5679 -17.2885 -17.7062 GPRESSAVG: 4499000 12.6779 63.2775 12.118 61.3861 -31.3461 -16.5791 14.2617 -16.5189 -17.8338 TIMING: 4499000 CPU: 13514.6, 0.00299526/step Wall: 13514.6, 0.00299526/step, 0.41684 hours remaining, 209.292969 MB of memory in use. ENERGY: 4499000 735.8159 2114.7480 1909.9487 124.1945 -206369.8145 17709.9809 0.0000 0.0000 34271.4315 -149503.6952 299.3009 -183775.1266 -149407.8732 298.0245 -103.1038 -66.4900 557290.7756 -12.3741 -12.1673 PRESSURE: 4499200 -59.5672 93.9816 -41.6727 93.9831 20.2569 -9.63405 -41.672 -9.63187 -50.421 GPRESSURE: 4499200 36.6882 52.2407 27.6351 185.911 35.1123 89.1878 -72.6128 9.65337 -52.7902 PRESSAVG: 4499200 1.7456 27.2525 -26.0681 27.2524 -6.34975 27.1641 -26.0682 27.164 43.9324 GPRESSAVG: 4499200 1.41885 25.9649 -26.7856 27.5641 -5.16691 26.4112 -26.307 25.7244 43.303 TIMING: 4499200 CPU: 13515.2, 0.00302715/step Wall: 13515.2, 0.00302715/step, 0.42111 hours remaining, 209.292969 MB of memory in use. ENERGY: 4499200 732.1400 2107.0516 1935.5195 117.8766 -206230.2236 17891.5044 0.0000 0.0000 34091.5204 -149354.6111 297.7297 -183446.1315 -149258.1472 298.7344 -29.9104 6.3368 556630.5295 13.1094 13.1850 PRESSURE: 4499400 328.824 -114.231 -44.2994 -114.233 174.22 -76.7482 -44.3001 -76.7486 57.0178 GPRESSURE: 4499400 363.854 -165.654 -36.5171 -62.2023 179.03 -77.599 -14.7043 -107.23 119.656 PRESSAVG: 4499400 -6.46728 72.7234 -54.4475 72.7234 8.86717 -18.0858 -54.4474 -18.0858 -30.7826 GPRESSAVG: 4499400 -6.44015 72.8464 -53.3478 71.0805 8.89784 -16.8881 -55.9122 -17.4693 -31.1454 TIMING: 4499400 CPU: 13515.8, 0.00304063/step Wall: 13515.8, 0.00304063/step, 0.422816 hours remaining, 209.304688 MB of memory in use. ENERGY: 4499400 736.3426 2062.4381 1936.2926 104.7916 -205934.8384 17785.0483 0.0000 0.0000 34060.8355 -149249.0897 297.4617 -183309.9252 -149155.8328 299.3748 186.6870 220.8466 556555.4029 -9.4609 -9.5626 PRESSURE: 4499600 -24.7366 -33.3261 -87.5472 -33.3272 -188.739 -13.1197 -87.5479 -13.1202 -285.465 GPRESSURE: 4499600 18.154 -68.8387 -4.34013 -64.0127 -254.987 -58.4782 -84.7028 -10.9332 -165.956 PRESSAVG: 4499600 62.4976 32.7615 -52.0431 32.7615 35.2771 30.4192 -52.0431 30.4192 -68.8903 GPRESSAVG: 4499600 62.163 33.9511 -52.663 32.9761 34.2834 30.3299 -50.8576 31.6033 -68.1541 TIMING: 4499600 CPU: 13516.4, 0.00302219/step Wall: 13516.4, 0.00302219/step, 0.420084 hours remaining, 209.304688 MB of memory in use. ENERGY: 4499600 737.4551 2078.7959 1932.3562 111.3992 -205644.3994 17452.0294 0.0000 0.0000 34226.7200 -149105.6436 298.9105 -183332.3636 -149010.4992 299.0802 -166.3137 -134.2629 558969.7246 9.6281 9.4308 PRESSURE: 4499800 161.65 86.6763 -67.783 86.6767 -93.8555 -60.6286 -67.7824 -60.6278 9.83538 GPRESSURE: 4499800 140.44 67.2448 -2.20347 121.663 23.4375 -35.2071 -64.9207 -62.5448 7.2078 PRESSAVG: 4499800 11.6149 35.2423 -33.6001 35.2423 35.313 -18.0495 -33.6001 -18.0495 -67.6737 GPRESSAVG: 4499800 12.152 33.3343 -32.2963 37.073 35.8565 -17.0024 -34.2102 -18.9792 -68.6373 TIMING: 4499800 CPU: 13517, 0.00298934/step Wall: 13517, 0.00298934/step, 0.415352 hours remaining, 209.304688 MB of memory in use. ENERGY: 4499800 728.9525 2069.5919 1941.2785 107.5010 -206580.0558 17889.2602 0.0000 0.0000 34438.3194 -149405.1522 300.7584 -183843.4716 -149302.5156 298.8489 25.8766 57.0283 557761.1086 -6.9153 -6.8763 PRESSURE: 4500000 79.4439 66.9245 -29.654 66.9239 49.6679 30.0657 -29.6532 30.0663 -116.893 GPRESSURE: 4500000 92.7743 57.6698 21.0902 34.1098 104.083 -6.33854 -41.676 49.6786 -91.1435 PRESSAVG: 4500000 45.4436 81.2547 -23.0597 81.2547 -26.1685 84.3375 -23.0596 84.3375 -8.23665 GPRESSAVG: 4500000 45.353 81.8869 -25.2724 77.8826 -26.1699 81.1669 -23.3281 83.6058 -7.79292 TIMING: 4500000 CPU: 13517.6, 0.0030045/step Wall: 13517.6, 0.0030045/step, 0.417292 hours remaining, 209.304688 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: 4500000 774.9452 2125.8567 1926.3493 117.3658 -206619.1310 18012.6316 0.0000 0.0000 34384.0467 -149277.9358 300.2844 -183661.9824 -149181.5122 298.7444 4.0731 35.2379 557646.8079 3.6795 3.7967 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4500000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 4500000 WRITING COORDINATES TO RESTART FILE AT STEP 4500000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4500000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4500200 -506.478 -28.6431 235.382 -28.6432 -64.5552 8.22931 235.381 8.22815 -57.1774 GPRESSURE: 4500200 -390.929 -9.47176 195.508 -9.23068 -35.1946 -27.3728 293.272 -18.5741 -98.0015 PRESSAVG: 4500200 66.2114 39.886 30.7308 39.886 -26.5251 -0.198136 30.7309 -0.198126 -49.8019 GPRESSAVG: 4500200 65.5157 38.6952 32.4977 43.1189 -26.9823 1.14858 30.5927 -0.513644 -48.6578 TIMING: 4500200 CPU: 13518.2, 0.00304346/step Wall: 13518.2, 0.00304346/step, 0.422534 hours remaining, 209.304688 MB of memory in use. ENERGY: 4500200 764.3442 2041.1800 1940.2042 107.8146 -205960.1716 17496.3945 0.0000 0.0000 34273.2024 -149337.0316 299.3164 -183610.2340 -149241.4424 299.0171 -209.4035 -174.7084 557124.0526 -3.3718 -3.3748 LDB: ============= START OF LOAD BALANCING ============== 13521.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13521.7 LDB: =============== DONE WITH MIGRATION ================ 13521.7 LDB: ============= START OF LOAD BALANCING ============== 13522 LDB: Largest compute 4773 load 0.027850 is 23.6% of average load 0.118092 LDB: Average compute 0.001725 is 1.5% of average load 0.118092 LDB: TIME 13522 LOAD: AVG 0.118092 MAX 0.209545 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.668 MB LDB: TIME 13522 LOAD: AVG 0.118092 MAX 0.209545 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.73 MB LDB: TIME 13522 LOAD: AVG 0.118092 MAX 0.209545 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.73 MB LDB: ============== END OF LOAD BALANCING =============== 13522 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13522 PRESSURE: 4500400 -15.6314 -28.9345 82.4535 -28.9342 -65.9546 -3.13708 82.4549 -3.13469 238.137 GPRESSURE: 4500400 -40.9933 35.4367 137.952 -121.198 -7.06734 76.6411 45.0001 -28.4452 303.535 PRESSAVG: 4500400 10.6783 -13.2982 49.4912 -13.2981 44.864 -63.9741 49.4912 -63.974 18.2179 GPRESSAVG: 4500400 11.2013 -11.5644 50.1751 -14.6181 44.5563 -64.3512 47.7176 -61.9476 17.88 TIMING: 4500400 CPU: 13518.8, 0.00303176/step Wall: 13518.8, 0.00303176/step, 0.420741 hours remaining, 211.031250 MB of memory in use. ENERGY: 4500400 727.2806 2093.9898 1953.2070 124.6926 -206419.7227 18037.2623 0.0000 0.0000 34190.7243 -149292.5662 298.5961 -183483.2904 -149196.7001 299.4149 52.1837 85.1581 557604.5069 24.5867 24.5459 PRESSURE: 4500600 76.9573 100.294 -185.018 100.294 59.0749 -49.1623 -185.016 -49.1607 -93.2518 GPRESSURE: 4500600 74.6081 32.8067 -107.23 202.982 108.808 -30.9869 -214.245 -54.8019 -46.4572 PRESSAVG: 4500600 0.212175 -16.2088 22.4011 -16.2087 6.45622 -3.93116 22.4012 -3.93102 -28.108 GPRESSAVG: 4500600 -0.278064 -15.9861 19.7207 -16.4808 7.50338 -5.71858 25.462 -3.91492 -28.4743 TIMING: 4500600 CPU: 13519.4, 0.00299355/step Wall: 13519.4, 0.00299355/step, 0.415273 hours remaining, 211.234375 MB of memory in use. ENERGY: 4500600 711.4204 2094.7361 1928.2192 113.3702 -206217.2930 17857.3273 0.0000 0.0000 34141.2157 -149371.0042 298.1637 -183512.2199 -149276.2691 298.5256 14.2601 45.6530 557609.6111 -7.1465 -7.0830 PRESSURE: 4500800 -320.931 45.9975 97.702 45.9967 9.77893 110.995 97.7028 110.995 -148.319 GPRESSURE: 4500800 -265.324 97.629 50.6355 -15.1732 29.6585 14.1565 141.983 124.136 -130.817 PRESSAVG: 4500800 -18.8404 66.0846 -16.5233 66.0846 133.384 32.6578 -16.5233 32.6578 -45.4836 GPRESSAVG: 4500800 -17.9366 66.7907 -14.1711 65.3153 133.12 36.3771 -17.0591 30.7711 -46.3825 TIMING: 4500800 CPU: 13520, 0.00296809/step Wall: 13520, 0.00296809/step, 0.411575 hours remaining, 211.234375 MB of memory in use. ENERGY: 4500800 782.2313 2070.6659 1920.3261 103.0594 -205859.0863 17684.1032 0.0000 0.0000 34081.5664 -149217.1339 297.6428 -183298.7003 -149122.4243 298.7408 -153.1568 -122.1609 558605.2441 23.0199 22.9335 PRESSURE: 4501000 134.405 -17.9604 200.879 -17.9609 76.8096 53.03 200.88 53.0306 -279.553 GPRESSURE: 4501000 88.4764 -26.6489 162.658 -103.127 148.977 68.7863 130.123 3.51575 -219.835 PRESSAVG: 4501000 -21.42 12.0702 9.61122 12.0701 24.9145 -29.2711 9.6112 -29.271 -17.2539 GPRESSAVG: 4501000 -22.9712 10.4235 9.36773 11.8417 24.8623 -30.4755 9.44898 -29.4867 -15.7815 TIMING: 4501000 CPU: 13520.6, 0.00295468/step Wall: 13520.6, 0.00295468/step, 0.409552 hours remaining, 211.234375 MB of memory in use. ENERGY: 4501000 761.7099 2101.8918 1953.9929 103.4780 -206280.3440 17877.3970 0.0000 0.0000 34348.6678 -149133.2065 299.9755 -183481.8743 -149035.1781 299.5619 -22.7794 5.8728 557164.2059 -4.5865 -4.6301 PRESSURE: 4501200 -30.6271 -27.8859 -34.7552 -27.8847 -35.3921 -17.2021 -34.7553 -17.2025 117.375 GPRESSURE: 4501200 -48.6583 -96.6743 84.2988 15.7506 42.7041 59.0725 -61.6052 -77.7834 150.555 PRESSAVG: 4501200 -43.7671 8.66223 4.66383 8.6623 -38.5163 50.44 4.66376 50.44 91.2857 GPRESSAVG: 4501200 -43.1098 9.35778 4.84451 9.63693 -38.2587 50.9659 2.83318 49.682 89.7923 TIMING: 4501200 CPU: 13521.2, 0.00296175/step Wall: 13521.2, 0.00296175/step, 0.410367 hours remaining, 211.234375 MB of memory in use. ENERGY: 4501200 759.1804 2045.7528 1926.9909 91.8131 -206016.3846 17724.7523 0.0000 0.0000 34293.5435 -149174.3516 299.4940 -183467.8951 -149076.7323 299.7769 17.1186 48.2003 557048.6026 3.0008 2.8079 PRESSURE: 4501400 48.9134 -44.3432 159.864 -44.3441 89.8202 -79.3318 159.863 -79.3299 45.3608 GPRESSURE: 4501400 49.5789 65.3242 41.8952 -83.7233 130.714 -26.1815 223.856 -74.0999 104.907 PRESSAVG: 4501400 -37.2944 15.7475 39.4298 15.7474 -13.9752 65.4035 39.4299 65.4034 16.0043 GPRESSAVG: 4501400 -36.9355 15.7675 39.9235 15.1637 -13.4743 63.8303 39.9886 66.4569 15.7927 TIMING: 4501400 CPU: 13521.8, 0.00298507/step Wall: 13521.8, 0.00298507/step, 0.413432 hours remaining, 211.234375 MB of memory in use. ENERGY: 4501400 721.0891 2061.1028 1918.3751 117.8637 -205985.1669 17675.5296 0.0000 0.0000 34359.1637 -149132.0429 300.0671 -183491.2067 -149032.5354 299.1338 61.3648 95.0667 555900.2642 -11.7551 -11.5390 PRESSURE: 4501600 -145.237 -7.01921 10.3528 -7.01889 148.525 -231.33 10.3527 -231.33 110.94 GPRESSURE: 4501600 -97.2119 -31.1819 2.48307 60.329 224.946 -302.809 21.2296 -212.019 90.1997 PRESSAVG: 4501600 -24.8455 35.1013 -0.162186 35.1013 -14.8901 10.5629 -0.162213 10.5629 53.0515 GPRESSAVG: 4501600 -24.1047 37.5669 -0.645948 33.8682 -16.0234 10.7352 0.835606 11.0781 53.4522 TIMING: 4501600 CPU: 13522.4, 0.00295536/step Wall: 13522.4, 0.00295536/step, 0.409153 hours remaining, 211.234375 MB of memory in use. ENERGY: 4501600 744.5850 2050.6847 1926.7169 111.7686 -206336.1273 18007.6919 0.0000 0.0000 34231.5055 -149263.1748 298.9523 -183494.6803 -149163.8112 299.3570 38.0761 72.6445 557684.0204 4.4386 4.4414 PRESSURE: 4501800 -134.626 190.677 128.195 190.677 -419.195 158.574 128.196 158.573 -0.940157 GPRESSURE: 4501800 -107.346 151.81 121.934 251.97 -418.881 105.689 89.3469 145.297 51.2948 PRESSAVG: 4501800 -18.4999 32.0194 7.14636 32.0193 -6.77981 -40.2927 7.14634 -40.2926 57.2724 GPRESSAVG: 4501800 -19.1399 29.3491 7.0171 33.884 -7.05315 -39.2221 6.64647 -39.8893 57.9733 TIMING: 4501800 CPU: 13523, 0.00297078/step Wall: 13523, 0.00297078/step, 0.411123 hours remaining, 211.234375 MB of memory in use. ENERGY: 4501800 762.6254 2095.6153 1932.8561 111.9691 -206465.5353 17705.9133 0.0000 0.0000 34423.3626 -149433.1935 300.6278 -183856.5561 -149338.5692 299.2922 -184.9203 -158.3108 556638.6596 10.6642 10.5934 PRESSURE: 4502000 -82.9679 103.998 -48.9573 103.997 40.4397 -114.304 -48.9578 -114.305 165.753 GPRESSURE: 4502000 -28.8272 83.6159 -136.684 118.935 62.8804 -57.5278 8.1443 -137.382 189.592 PRESSAVG: 4502000 -65.4309 -16.0518 22.6543 -16.0518 23.71 3.53276 22.6544 3.53269 3.14705 GPRESSAVG: 4502000 -64.8012 -15.7824 24.228 -16.0684 24.1726 3.8342 22.8985 2.92546 2.1712 TIMING: 4502000 CPU: 13523.6, 0.00298796/step Wall: 13523.6, 0.00298796/step, 0.413335 hours remaining, 211.234375 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: 4502000 710.7128 2067.3902 1896.0704 116.3738 -206445.1241 17912.7376 0.0000 0.0000 34219.1275 -149522.7117 298.8442 -183741.8392 -149422.5287 298.9945 41.0748 74.5485 557291.8030 -12.8579 -12.8191 PRESSURE: 4502200 72.2936 -58.5338 -102.605 -58.5332 -209.093 -134.526 -102.604 -134.524 -140.34 GPRESSURE: 4502200 47.9058 -21.5629 -87.2355 -98.7987 -171.804 -198.513 -84.9218 -97.9597 -60.0198 PRESSAVG: 4502200 26.7796 65.5054 -3.88678 65.5054 -28.0658 -33.2609 -3.88694 -33.2609 55.1801 GPRESSAVG: 4502200 26.0206 65.6485 -5.94019 64.5587 -27.2054 -35.4976 -4.14159 -34.295 54.9276 TIMING: 4502200 CPU: 13524.2, 0.00297326/step Wall: 13524.2, 0.00297326/step, 0.411136 hours remaining, 211.234375 MB of memory in use. ENERGY: 4502200 752.0667 2128.5961 1931.1325 118.9999 -206274.3830 17719.7056 0.0000 0.0000 34029.4248 -149594.4573 297.1874 -183623.8822 -149500.5041 298.3028 -92.3800 -61.3061 558601.9520 17.9646 17.9143 PRESSURE: 4502400 -116.62 78.3628 -109.436 78.3619 151.185 13.8228 -109.437 13.8236 -44.2586 GPRESSURE: 4502400 -30.5353 61.5212 -63.2321 126.685 141.698 -68.287 -116.156 61.8398 -31.554 PRESSAVG: 4502400 51.0164 -45.3225 -46.792 -45.3226 -18.422 -32.8673 -46.792 -32.8674 8.68788 GPRESSAVG: 4502400 50.3969 -43.3491 -43.4858 -46.1332 -17.4387 -33.1199 -47.8343 -31.566 8.88328 TIMING: 4502400 CPU: 13524.8, 0.00296576/step Wall: 13524.8, 0.00296576/step, 0.409933 hours remaining, 211.234375 MB of memory in use. ENERGY: 4502400 739.1651 2109.7290 1912.7964 113.6141 -206576.9199 17853.4196 0.0000 0.0000 34090.7538 -149757.4419 297.7230 -183848.1956 -149661.6097 297.5243 -3.2312 26.5361 555946.1738 13.7608 13.9472 PRESSURE: 4502600 193.882 -47.279 -82.2347 -47.2773 -89.614 56.0277 -82.2356 56.0272 -50.7484 GPRESSURE: 4502600 205.379 -53.3105 -61.2235 81.9614 -67.6068 86.5242 52.7907 23.8328 16.3701 PRESSAVG: 4502600 72.3532 -6.55937 -10.3722 -6.55937 -56.2837 -3.78417 -10.3721 -3.784 14.4895 GPRESSAVG: 4502600 72.1441 -8.51879 -11.1929 -7.01723 -56.4584 -4.02563 -8.21822 -3.80952 14.8706 TIMING: 4502600 CPU: 13525.3, 0.00296002/step Wall: 13525.3, 0.00296002/step, 0.408976 hours remaining, 211.234375 MB of memory in use. ENERGY: 4502600 797.4077 2056.8539 1894.7317 131.0913 -206724.5204 18072.0135 0.0000 0.0000 34001.2867 -149771.1355 296.9417 -183772.4222 -149673.3227 297.5802 17.8398 51.3807 556155.7033 10.1863 10.1854 PRESSURE: 4502800 35.9106 -125.209 234.896 -125.208 536.818 -121.415 234.896 -121.415 239.701 GPRESSURE: 4502800 109.267 -208.377 254.38 -68.1101 560.33 -194.374 236.985 -50.0925 233.048 PRESSAVG: 4502800 5.90872 47.0245 26.016 47.0245 -5.79314 -7.25752 26.0161 -7.25752 18.7775 GPRESSAVG: 4502800 5.95058 46.9476 24.2582 48.7774 -7.21132 -2.06577 25.8443 -9.2338 19.9762 TIMING: 4502800 CPU: 13525.9, 0.00295491/step Wall: 13525.9, 0.00295491/step, 0.408106 hours remaining, 211.234375 MB of memory in use. ENERGY: 4502800 778.6060 2074.4719 1913.1337 114.5217 -207407.5522 18336.9788 0.0000 0.0000 34263.2514 -149926.5888 299.2295 -184189.8401 -149823.1353 297.5413 270.8100 300.8821 555534.6726 6.2977 6.2385 PRESSURE: 4503000 49.5872 106.842 49.0698 106.843 -296.324 4.03836 49.0693 4.03736 -8.74552 GPRESSURE: 4503000 109.451 226.531 79.8956 42.5425 -289.677 42.9942 106.324 -34.4156 28.6643 PRESSAVG: 4503000 14.8998 -19.9138 16.8739 -19.9137 -33.8735 -36.4942 16.8739 -36.4943 19.209 GPRESSAVG: 4503000 14.8513 -19.7227 15.6482 -20.3106 -33.6926 -39.3719 17.7888 -34.1623 18.8088 TIMING: 4503000 CPU: 13526.5, 0.0029811/step Wall: 13526.5, 0.0029811/step, 0.411558 hours remaining, 211.234375 MB of memory in use. ENERGY: 4503000 766.1762 2123.9458 1926.8487 119.5227 -206894.8697 17997.0593 0.0000 0.0000 34058.9274 -149902.3896 297.4451 -183961.3170 -149815.5218 297.2766 -85.1608 -50.5209 557343.2253 0.0785 -0.0109 PRESSURE: 4503200 -34.3094 125.411 -57.6372 125.412 -84.6141 -138.674 -57.6376 -138.674 -57.782 GPRESSURE: 4503200 21.4984 127.845 -105.943 196.472 -28.0836 -144.237 9.64903 -131.027 -67.531 PRESSAVG: 4503200 -37.156 24.351 52.9469 24.3509 11.2617 -2.86438 52.9469 -2.86443 8.69112 GPRESSAVG: 4503200 -37.6554 24.4469 56.9634 23.368 13.0164 -2.2657 50.6738 -4.32479 7.83137 TIMING: 4503200 CPU: 13527.1, 0.00298584/step Wall: 13527.1, 0.00298584/step, 0.412046 hours remaining, 211.234375 MB of memory in use. ENERGY: 4503200 758.0674 2113.5029 1927.9117 111.8236 -206465.8365 17748.5839 0.0000 0.0000 34136.6940 -149669.2531 298.1242 -183805.9471 -149572.0437 297.3170 -58.9018 -24.7054 556876.7559 -5.7344 -5.6025 PRESSURE: 4503400 26.3042 -31.3948 -18.7754 -31.3958 -60.2198 43.507 -18.7755 43.5074 -88.8487 GPRESSURE: 4503400 71.41 -166.475 172.303 35.1832 -37.9867 -29.9659 -49.0215 94.8821 -48.0906 PRESSAVG: 4503400 38.2815 -21.5619 -10.5055 -21.5619 -27.5338 16.9593 -10.5055 16.9592 43.9327 GPRESSAVG: 4503400 38.3166 -22.3218 -12.7783 -21.4368 -28.1991 16.1356 -9.14684 17.3599 44.7526 TIMING: 4503400 CPU: 13527.7, 0.00293451/step Wall: 13527.7, 0.00293451/step, 0.4048 hours remaining, 211.234375 MB of memory in use. ENERGY: 4503400 732.7003 2063.3368 1943.3443 106.0936 -206806.6491 17828.9455 0.0000 0.0000 34366.3347 -149765.8938 300.1297 -184132.2285 -149665.8231 297.5907 -40.9214 -4.8891 556537.7546 18.2268 18.2900 PRESSURE: 4503600 -46.3703 -115.36 37.8456 -115.359 206.085 -119.472 37.845 -119.471 -127.438 GPRESSURE: 4503600 35.0152 -121.541 12.6287 -68.3429 193.823 -106.275 17.4345 -84.2384 -94.5848 PRESSAVG: 4503600 -32.8125 -19.4261 -6.74967 -19.4262 14.8898 -11.1565 -6.74975 -11.1564 30.3447 GPRESSAVG: 4503600 -32.0279 -17.4183 -5.9539 -18.8053 13.4691 -10.4442 -7.18035 -11.6887 31.0943 TIMING: 4503600 CPU: 13528.3, 0.00293898/step Wall: 13528.3, 0.00293898/step, 0.405253 hours remaining, 211.234375 MB of memory in use. ENERGY: 4503600 748.5301 2021.0755 1952.3779 105.1806 -206600.8247 18067.9337 0.0000 0.0000 33970.4053 -149735.3215 296.6720 -183705.7269 -149634.8011 297.7253 10.7587 44.7510 557028.0675 4.1407 4.1785 PRESSURE: 4503800 -5.17312 111.375 89.0158 111.375 -10.9628 -125.335 89.0163 -125.334 -328.494 GPRESSURE: 4503800 33.3355 148.585 60.9818 163.1 -14.6184 -181.327 174.186 -46.2957 -251.1 PRESSAVG: 4503800 -6.60056 -4.90536 -17.7568 -4.90541 43.8685 -35.3785 -17.7568 -35.3785 -6.76786 GPRESSAVG: 4503800 -7.82745 -6.27376 -20.3974 -3.99834 47.0333 -36.1776 -17.4902 -34.3197 -8.37137 TIMING: 4503800 CPU: 13528.9, 0.00299031/step Wall: 13528.9, 0.00299031/step, 0.412164 hours remaining, 211.234375 MB of memory in use. ENERGY: 4503800 742.3945 2120.0391 1940.8850 104.6128 -206259.8819 17645.2453 0.0000 0.0000 34243.5867 -149463.1185 299.0578 -183706.7052 -149369.3728 297.7926 -114.8766 -77.4611 558345.3378 10.1667 10.2781 PRESSURE: 4504000 -324.445 -43.0252 101.399 -43.0261 -269.138 -190.708 101.399 -190.706 -132.019 GPRESSURE: 4504000 -322.294 9.82569 108.211 24.4449 -214.259 -81.3278 235.361 -160.307 -102.81 PRESSAVG: 4504000 -4.35244 45.6978 32.3352 45.6978 -55.8623 -102.803 32.3352 -102.804 39.6897 GPRESSAVG: 4504000 -3.94214 48.0954 33.5588 45.2395 -56.5567 -100.693 32.6383 -104.82 39.5752 TIMING: 4504000 CPU: 13529.5, 0.0029887/step Wall: 13529.5, 0.0029887/step, 0.411776 hours remaining, 211.234375 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: 4504000 716.3596 2053.1406 1949.0966 124.5640 -205810.9980 17355.3946 0.0000 0.0000 34241.0703 -149371.3722 299.0358 -183612.4424 -149273.8801 298.6575 -241.8675 -213.1209 556957.6660 -6.8417 -6.9746 PRESSURE: 4504200 -267.706 34.4029 70.2642 34.4038 -322.981 -48.732 70.2636 -48.7333 -135.585 GPRESSURE: 4504200 -240.081 12.4377 88.0214 42.0116 -220.961 -73.7916 -11.112 21.9457 -153.925 PRESSAVG: 4504200 -1.73339 -4.71344 -33.2388 -4.71341 -54.0273 -69.7771 -33.239 -69.777 68.6627 GPRESSAVG: 4504200 -1.6595 -5.14714 -32.9449 -5.43408 -54.3687 -71.7071 -33.6681 -67.9509 68.8507 TIMING: 4504200 CPU: 13530.1, 0.00297712/step Wall: 13530.1, 0.00297712/step, 0.410016 hours remaining, 211.234375 MB of memory in use. ENERGY: 4504200 747.8570 2096.3828 1984.5577 107.7911 -206081.4057 17517.6205 0.0000 0.0000 34082.9732 -149544.2235 297.6551 -183627.1967 -149444.5259 298.3422 -242.0906 -204.9893 559193.7557 4.3007 4.2742 LDB: ============= START OF LOAD BALANCING ============== 13533.6 LDB: ============== END OF LOAD BALANCING =============== 13533.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13533.6 LDB: ============= START OF LOAD BALANCING ============== 13533.9 LDB: Largest compute 4773 load 0.027771 is 23.5% of average load 0.118144 LDB: Average compute 0.001731 is 1.5% of average load 0.118144 LDB: TIME 13533.9 LOAD: AVG 0.118144 MAX 0.208411 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.977 MB LDB: TIME 13533.9 LOAD: AVG 0.118144 MAX 0.208411 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.977 MB LDB: TIME 13533.9 LOAD: AVG 0.118144 MAX 0.208411 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.977 MB LDB: ============== END OF LOAD BALANCING =============== 13533.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13533.9 PRESSURE: 4504400 -123.745 46.3468 -126.514 46.3454 -58.6703 -2.93229 -126.515 -2.93154 42.6746 GPRESSURE: 4504400 -52.5795 90.0976 -70.7873 -22.6447 -42.0602 102.877 -204.432 -93.131 56.9357 PRESSAVG: 4504400 -8.22511 1.68571 15.5492 1.68572 21.4457 17.7529 15.5492 17.7528 -0.624334 GPRESSAVG: 4504400 -8.05621 0.465201 15.7422 1.73479 20.0257 20.0023 13.3555 14.9112 0.632606 TIMING: 4504400 CPU: 13530.7, 0.00303634/step Wall: 13530.7, 0.00303634/step, 0.418002 hours remaining, 210.515625 MB of memory in use. ENERGY: 4504400 731.5987 2181.6460 1938.4789 108.4434 -206574.7312 17857.5626 0.0000 0.0000 34081.4079 -149675.5937 297.6414 -183757.0016 -149580.2636 298.0497 -46.5802 -12.5680 555841.9858 4.1988 4.2007 PRESSURE: 4504600 -175.41 -83.316 37.2155 -83.3159 -61.3831 1.14341 37.2157 1.1456 -164.39 GPRESSURE: 4504600 -136.858 -47.5553 3.63784 -65.1508 -20.096 19.8198 -6.05498 13.0224 -157.177 PRESSAVG: 4504600 -4.05169 -7.1407 -11.907 -7.14073 4.86675 10.5986 -11.9071 10.5985 -9.2369 GPRESSAVG: 4504600 -4.04419 -5.24959 -13.039 -6.98833 5.51151 9.51795 -10.9195 12.0314 -10.0552 TIMING: 4504600 CPU: 13531.3, 0.00297826/step Wall: 13531.3, 0.00297826/step, 0.409841 hours remaining, 210.582031 MB of memory in use. ENERGY: 4504600 735.9580 2089.8495 1930.4164 110.7684 -206287.6440 17561.1077 0.0000 0.0000 34193.0840 -149666.4600 298.6167 -183859.5440 -149570.6776 298.2478 -133.7274 -104.7104 556845.7247 -2.8073 -2.8626 PRESSURE: 4504800 51.7504 4.53894 78.9854 4.5378 47.0611 -118.444 78.9859 -118.444 220.726 GPRESSURE: 4504800 75.8566 -22.7287 111.16 41.9093 69.4364 -178.449 -15.4868 -64.4992 282.316 PRESSAVG: 4504800 16.439 43.4195 30.849 43.4194 -30.2988 2.27824 30.849 2.27825 44.6788 GPRESSAVG: 4504800 17.4672 42.7852 32.0671 42.1578 -30.6314 0.621897 30.4539 3.01535 44.2522 TIMING: 4504800 CPU: 13531.9, 0.00297303/step Wall: 13531.9, 0.00297303/step, 0.408957 hours remaining, 210.582031 MB of memory in use. ENERGY: 4504800 707.9952 2130.6432 1940.8378 116.1467 -206567.7738 18010.5764 0.0000 0.0000 34005.2485 -149656.3258 296.9763 -183661.5744 -149565.0926 298.0900 106.5123 142.5364 554938.6614 10.2730 10.3627 PRESSURE: 4505000 50.8012 -82.0493 -32.503 -82.0495 -59.9965 49.2021 -32.5034 49.2033 99.1663 GPRESSURE: 4505000 63.2449 -99.3452 -24.0337 21.1071 35.8163 88.6885 18.1912 61.0628 84.9686 PRESSAVG: 4505000 -6.75598 5.47181 32.6599 5.47171 -35.7493 -46.5458 32.6599 -46.5459 39.4476 GPRESSAVG: 4505000 -7.98523 4.98656 30.9839 6.21812 -35.7367 -46.0012 33.9621 -48.5435 40.35 TIMING: 4505000 CPU: 13532.5, 0.00299347/step Wall: 13532.5, 0.00299347/step, 0.411602 hours remaining, 210.582031 MB of memory in use. ENERGY: 4505000 774.4767 2040.4251 1949.0757 115.1688 -206885.4860 18065.5862 0.0000 0.0000 34290.0502 -149650.7033 299.4635 -183940.7535 -149559.1502 298.1160 29.9904 61.3433 555424.8011 -1.0192 -1.1240 PRESSURE: 4505200 158.259 -18.3313 -73.1116 -18.3306 380.154 -23.5442 -73.1117 -23.5456 293.883 GPRESSURE: 4505200 181.467 -98.6444 -74.2987 36.4277 366.693 14.7218 -29.4742 26.6573 374.099 PRESSAVG: 4505200 -3.49301 -21.0673 8.45655 -21.0672 -33.7142 -15.8507 8.45655 -15.8507 0.125896 GPRESSAVG: 4505200 -2.03219 -20.7926 10.5615 -24.0556 -34.1225 -14.7496 7.58701 -12.4416 -0.942876 TIMING: 4505200 CPU: 13533.1, 0.00297875/step Wall: 13533.1, 0.00297875/step, 0.409413 hours remaining, 210.582031 MB of memory in use. ENERGY: 4505200 745.5397 2129.4061 1961.2324 120.6439 -206993.6902 18078.6715 0.0000 0.0000 34529.3915 -149428.8052 301.5538 -183958.1966 -149329.1755 299.1023 277.4319 307.4199 554674.0484 -12.3604 -12.3659 PRESSURE: 4505400 11.6102 84.6037 175.986 84.604 -339.667 13.7552 175.985 13.7551 -18.5629 GPRESSURE: 4505400 31.7009 29.7923 147.775 51.589 -316.833 -11.5717 173.361 31.6368 31.4143 PRESSAVG: 4505400 57.8011 -22.3765 16.9068 -22.3764 -21.9006 -43.1546 16.9068 -43.1547 25.6976 GPRESSAVG: 4505400 56.6335 -22.3576 15.8451 -19.5221 -21.8638 -43.9944 15.9584 -43.9692 26.6312 TIMING: 4505400 CPU: 13533.7, 0.00297942/step Wall: 13533.7, 0.00297942/step, 0.409339 hours remaining, 210.582031 MB of memory in use. ENERGY: 4505400 749.5037 2044.2475 1941.3647 116.6801 -206067.3125 17780.4562 0.0000 0.0000 34224.2962 -149210.7641 298.8893 -183435.0603 -149117.7259 299.9493 -115.5399 -84.5726 558163.2768 20.5327 20.4670 PRESSURE: 4505600 -335.482 -9.92941 159.46 -9.93039 151.516 -66.589 159.458 -66.5892 -184.671 GPRESSURE: 4505600 -284.181 43.4521 249.136 26.7644 140.668 -101.841 111.595 -81.8734 -145.459 PRESSAVG: 4505600 2.74707 56.7962 39.6613 56.7962 34.8102 -17.432 39.6612 -17.432 -4.70923 GPRESSAVG: 4505600 2.29547 56.8457 38.3417 55.5871 34.5484 -17.6535 39.175 -19.065 -4.97112 TIMING: 4505600 CPU: 13534.3, 0.00298328/step Wall: 13534.3, 0.00298328/step, 0.409703 hours remaining, 210.582031 MB of memory in use. ENERGY: 4505600 739.6496 2109.1133 1941.2123 111.5962 -205692.6809 17424.1578 0.0000 0.0000 33910.9588 -149455.9930 296.1528 -183366.9518 -149362.7264 298.7572 -122.8790 -96.3237 557925.3875 10.9494 10.6243 PRESSURE: 4505800 146.877 -3.40999 22.3397 -3.4082 22.7817 89.4931 22.3409 89.4943 157.37 GPRESSURE: 4505800 190.274 54.4269 -73.505 -17.7344 81.7824 4.65608 32.9125 81.5249 151.034 PRESSAVG: 4505800 31.9679 -27.7539 71.0961 -27.7538 -69.5558 28.1196 71.0961 28.1196 18.8435 GPRESSAVG: 4505800 31.5526 -28.3165 72.8761 -26.7744 -69.3627 27.4077 73.2232 28.1888 18.9076 TIMING: 4505800 CPU: 13534.9, 0.00297653/step Wall: 13534.9, 0.00297653/step, 0.408611 hours remaining, 210.582031 MB of memory in use. ENERGY: 4505800 731.9025 2051.2761 1949.0946 115.3272 -206235.6647 17711.1036 0.0000 0.0000 34336.3039 -149340.6566 299.8675 -183676.9606 -149242.2935 298.6981 109.0094 141.0304 555568.8308 -6.2481 -6.3008 PRESSURE: 4506000 -1.0408 2.05353 31.4462 2.05268 -255.078 15.5367 31.4454 15.536 -167.6 GPRESSURE: 4506000 21.457 -16.4472 62.606 100.768 -175.892 20.3499 10.2763 32.9716 -162.835 PRESSAVG: 4506000 60.0779 -16.9557 23.2243 -16.9557 5.39519 28.3197 23.2243 28.3198 -22.2098 GPRESSAVG: 4506000 60.9961 -18.0213 20.9405 -15.4363 4.97936 30.983 24.5861 28.1434 -22.3291 TIMING: 4506000 CPU: 13535.5, 0.00298634/step Wall: 13535.5, 0.00298634/step, 0.409792 hours remaining, 210.582031 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: 4506000 778.1535 2125.3112 1962.9916 117.9369 -205878.9551 17543.1745 0.0000 0.0000 34152.9367 -149198.4508 298.2661 -183351.3875 -149108.0687 299.0307 -141.2394 -105.7568 558158.6453 14.4211 14.5488 PRESSURE: 4506200 -76.802 -69.5581 -47.2378 -69.5566 14.5931 -28.2712 -47.2376 -28.2712 -37.9302 GPRESSURE: 4506200 -18.87 -42.327 -151.956 -33.5232 19.6419 1.37252 15.9533 -93.0331 -27.701 PRESSAVG: 4506200 23.2619 13.9826 51.0549 13.9825 5.3267 -2.30818 51.0549 -2.30826 8.93157 GPRESSAVG: 4506200 22.7779 15.4706 52.5117 13.328 4.43376 -3.17968 49.6621 -2.09799 10.7057 TIMING: 4506200 CPU: 13536.1, 0.00298751/step Wall: 13536.1, 0.00298751/step, 0.409787 hours remaining, 210.582031 MB of memory in use. ENERGY: 4506200 747.2317 2078.4000 1941.9119 113.5460 -205988.2816 17641.4804 0.0000 0.0000 34234.1744 -149231.5372 298.9756 -183465.7116 -149141.6381 299.0118 -33.3797 -8.9764 556544.4702 12.5067 12.6391 PRESSURE: 4506400 -99.9703 -31.0494 40.7654 -31.0481 62.4342 189.264 40.7657 189.263 42.3587 GPRESSURE: 4506400 -109.565 -75.3001 76.3029 -133.207 124.798 133.556 7.73298 272.808 87.1754 PRESSAVG: 4506400 -1.65314 22.4949 -17.6934 22.495 43.7861 24.9839 -17.6934 24.9839 -23.2296 GPRESSAVG: 4506400 -1.25654 22.3748 -15.6192 21.5924 46.0048 23.441 -16.7175 27.4082 -25.8776 TIMING: 4506400 CPU: 13536.7, 0.00298716/step Wall: 13536.7, 0.00298716/step, 0.409573 hours remaining, 210.582031 MB of memory in use. ENERGY: 4506400 746.9943 2110.5542 1904.7813 122.1064 -206103.9022 17803.4853 0.0000 0.0000 34389.9209 -149026.0598 300.3357 -183415.9807 -148926.3251 299.7508 1.6075 34.1360 556513.4955 6.3011 6.2902 PRESSURE: 4506600 -11.3705 44.7558 136.944 44.7546 -75.9288 57.9497 136.943 57.9491 -128.569 GPRESSURE: 4506600 29.1719 7.12628 164.112 53.2425 -24.3055 10.2725 112.239 80.422 -119.877 PRESSAVG: 4506600 70.3829 38.0133 25.5523 38.0133 -20.6191 9.92841 25.5523 9.92836 -71.272 GPRESSAVG: 4506600 70.0226 37.2157 22.1889 38.2298 -20.9996 10.813 22.3882 9.41448 -70.4488 TIMING: 4506600 CPU: 13537.3, 0.00298393/step Wall: 13537.3, 0.00298393/step, 0.408964 hours remaining, 210.582031 MB of memory in use. ENERGY: 4506600 722.2223 2094.3448 1944.5870 123.0440 -206030.5936 17680.3002 0.0000 0.0000 34290.7774 -149175.3178 299.4699 -183466.0953 -149072.1622 300.0675 -71.9562 -38.3369 558407.2699 -7.1694 -7.1419 PRESSURE: 4506800 -34.7118 7.30515 -2.87669 7.3053 -77.7664 -101.517 -2.8759 -101.518 -78.7091 GPRESSURE: 4506800 -7.23538 15.8168 -51.7504 62.6225 -95.7442 -135.294 85.0093 -142.273 2.96051 PRESSAVG: 4506800 40.2772 -2.8184 14.3116 -2.8184 -47.6011 -24.0921 14.3116 -24.0921 -57.9858 GPRESSAVG: 4506800 41.9711 -3.28231 16.6417 -3.3548 -48.1733 -23.4025 16.445 -25.711 -58.838 TIMING: 4506800 CPU: 13537.9, 0.00297125/step Wall: 13537.9, 0.00297125/step, 0.407061 hours remaining, 210.582031 MB of memory in use. ENERGY: 4506800 739.5877 2100.6541 1932.3951 113.0537 -206030.8833 17712.7274 0.0000 0.0000 34282.3286 -149150.1366 299.3961 -183432.4653 -149051.3926 299.2865 -63.7291 -33.3397 557941.5153 -21.7699 -21.6801 PRESSURE: 4507000 -187.165 57.2997 -80.7089 57.2993 12.8652 -139.147 -80.7092 -139.147 -143.805 GPRESSURE: 4507000 -184.088 -2.49371 -76.206 63.769 64.8578 -97.9645 -56.2789 -165.403 -101.681 PRESSAVG: 4507000 3.74688 28.5955 37.2717 28.5955 45.7722 -1.09263 37.2717 -1.09261 -48.4167 GPRESSAVG: 4507000 2.72502 31.6173 37.7674 27.2188 46.4976 0.337787 36.6006 -2.13576 -48.2392 TIMING: 4507000 CPU: 13538.5, 0.00298444/step Wall: 13538.5, 0.00298444/step, 0.408702 hours remaining, 210.582031 MB of memory in use. ENERGY: 4507000 748.7623 2109.2778 1929.3118 114.1331 -206103.3936 17791.3651 0.0000 0.0000 34228.2896 -149182.2540 298.9242 -183410.5436 -149085.7953 298.5256 -106.0350 -73.6370 557512.4811 0.3675 0.3278 PRESSURE: 4507200 34.8821 95.374 192.117 95.3739 185.107 -7.11172 192.117 -7.11161 -112.647 GPRESSURE: 4507200 1.61383 83.8051 232.056 42.7634 262.992 -52.9393 187.81 78.3707 -68.3793 PRESSAVG: 4507200 -20.1089 -3.48009 53.1908 -3.48014 14.1057 28.5462 53.1909 28.5461 -9.45014 GPRESSAVG: 4507200 -19.4446 -4.66366 51.3654 -2.09986 13.7457 27.549 53.6047 29.9471 -9.69213 TIMING: 4507200 CPU: 13539.1, 0.00301693/step Wall: 13539.1, 0.00301693/step, 0.412985 hours remaining, 210.582031 MB of memory in use. ENERGY: 4507200 748.6964 2136.2539 1948.6475 98.7053 -206273.7959 17881.6684 0.0000 0.0000 34285.8870 -149173.9374 299.4272 -183459.8244 -149079.1402 299.2289 35.7806 65.4088 557546.1062 -5.1511 -5.1303 PRESSURE: 4507400 -10.0468 7.29082 246.167 7.29011 -91.5888 126.738 246.166 126.736 -44.8279 GPRESSURE: 4507400 8.37335 -0.956975 140.451 61.8032 -102.487 189.721 354.622 115.856 48.0272 PRESSAVG: 4507400 68.052 7.64292 22.1278 7.64286 -40.7495 31.4549 22.1278 31.4548 -10.8224 GPRESSAVG: 4507400 67.6151 7.96577 22.3239 8.88363 -40.9577 30.6704 21.6926 32.1868 -10.1297 TIMING: 4507400 CPU: 13539.7, 0.00301383/step Wall: 13539.7, 0.00301383/step, 0.412392 hours remaining, 210.582031 MB of memory in use. ENERGY: 4507400 733.9039 2080.0072 1936.5091 112.0332 -206232.0212 17728.3604 0.0000 0.0000 34320.2055 -149321.0019 299.7269 -183641.2074 -149223.6434 299.3896 -48.8212 -15.3622 556060.7361 5.4934 5.5092 PRESSURE: 4507600 11.0292 -90.3627 61.3185 -90.3621 -181.08 -182.941 61.3198 -182.942 -219.142 GPRESSURE: 4507600 24.5373 -80.3797 46.3698 -118.612 -133.332 -78.032 78.6626 -248.064 -191.253 PRESSAVG: 4507600 -33.3368 -44.8066 45.8108 -44.8066 -21.7858 4.93128 45.8108 4.9313 0.0296066 GPRESSAVG: 4507600 -33.6536 -47.7985 44.5161 -45.4244 -21.0963 6.18086 47.0765 4.53218 -0.112766 TIMING: 4507600 CPU: 13540.3, 0.00296537/step Wall: 13540.3, 0.00296537/step, 0.405597 hours remaining, 210.582031 MB of memory in use. ENERGY: 4507600 752.2749 2110.0533 1888.0730 115.9970 -206376.7257 17813.6740 0.0000 0.0000 34397.3629 -149299.2905 300.4007 -183696.6534 -149193.7722 299.3481 -129.7310 -100.0158 558697.5849 -18.3643 -18.2875 PRESSURE: 4507800 38.6612 112.992 133.34 112.992 -164.274 -27.4324 133.341 -27.4318 -78.6091 GPRESSURE: 4507800 61.1796 97.4696 100.936 29.0019 -109.206 -29.4629 38.2119 -32.6292 -55.6867 PRESSAVG: 4507800 -44.5243 13.1607 3.4751 13.1608 20.5846 27.173 3.47503 27.1731 3.53418 GPRESSAVG: 4507800 -44.3435 14.6547 7.11751 12.4033 19.9457 26.3623 1.62787 27.1696 4.13753 TIMING: 4507800 CPU: 13540.8, 0.0029589/step Wall: 13540.8, 0.0029589/step, 0.404547 hours remaining, 210.582031 MB of memory in use. ENERGY: 4507800 740.0991 2054.7402 1918.0101 116.5633 -206202.4963 17906.5101 0.0000 0.0000 34282.7081 -149183.8654 299.3994 -183466.5734 -149085.1771 299.0385 -68.0739 -34.5711 559257.5045 -6.8018 -6.7534 PRESSURE: 4508000 106.253 -55.6656 -149.419 -55.6651 -117.667 -29.8364 -149.418 -29.8383 -12.2886 GPRESSURE: 4508000 217.779 -163.876 -37.3594 41.6752 -125.972 6.21042 -186.922 -42.9178 -15.9833 PRESSAVG: 4508000 39.7423 36.1552 47.9691 36.1552 5.42207 -8.63113 47.9691 -8.63104 -74.7591 GPRESSAVG: 4508000 38.7392 36.7425 45.0542 34.8274 6.53634 -7.78179 49.7971 -10.8157 -74.9174 TIMING: 4508000 CPU: 13541.4, 0.0029644/step Wall: 13541.4, 0.0029644/step, 0.405134 hours remaining, 210.582031 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: 4508000 753.0581 2055.3341 1934.8066 116.7232 -206437.4641 17999.4411 0.0000 0.0000 34273.9363 -149304.1647 299.3228 -183578.1010 -149208.7949 299.5825 -7.9009 25.2745 558688.4219 -9.8649 -9.8806 PRESSURE: 4508200 33.2019 -3.19275 10.9658 -3.19302 -91.8215 130.011 10.9657 130.012 -51.8489 GPRESSURE: 4508200 106.32 40.7451 -16.4842 -49.1567 -122.317 102.125 47.5683 143.105 9.25224 PRESSAVG: 4508200 42.7126 -23.2976 1.20034 -23.2976 -7.25984 -17.1672 1.20021 -17.1671 -10.46 GPRESSAVG: 4508200 43.6913 -20.8864 0.706785 -22.68 -7.49758 -19.7743 0.244382 -16.3625 -11.4838 TIMING: 4508200 CPU: 13542, 0.00294736/step Wall: 13542, 0.00294736/step, 0.402643 hours remaining, 210.582031 MB of memory in use. ENERGY: 4508200 718.3609 2079.8579 1957.9997 127.5897 -206091.6484 17810.0464 0.0000 0.0000 34204.9152 -149192.8786 298.7200 -183397.7938 -149093.3676 299.2983 -36.8228 -2.2481 557859.1044 8.3309 8.2366 LDB: ============= START OF LOAD BALANCING ============== 13545.5 LDB: ============== END OF LOAD BALANCING =============== 13545.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13545.5 LDB: ============= START OF LOAD BALANCING ============== 13545.8 LDB: Largest compute 4773 load 0.026989 is 22.8% of average load 0.118133 LDB: Average compute 0.001732 is 1.5% of average load 0.118133 LDB: TIME 13545.8 LOAD: AVG 0.118133 MAX 0.210472 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.93 MB LDB: TIME 13545.8 LOAD: AVG 0.118133 MAX 0.210472 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.133 MB LDB: TIME 13545.8 LOAD: AVG 0.118133 MAX 0.210472 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.133 MB LDB: ============== END OF LOAD BALANCING =============== 13545.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13545.8 PRESSURE: 4508400 -8.12065 -80.5198 14.6138 -80.5194 -102.567 56.5969 14.6124 56.5958 250.041 GPRESSURE: 4508400 10.3021 -54.2229 -89.0242 -55.9435 -79.5465 62.9912 50.1882 73.7622 295.615 PRESSAVG: 4508400 -9.34873 -69.6418 42.1528 -69.6418 24.8983 7.8146 42.1527 7.81466 7.17431 GPRESSAVG: 4508400 -10.0608 -71.287 40.9805 -69.9066 24.5255 8.45842 41.5438 8.92426 8.13424 TIMING: 4508400 CPU: 13542.6, 0.00301719/step Wall: 13542.6, 0.00301719/step, 0.412014 hours remaining, 209.214844 MB of memory in use. ENERGY: 4508400 746.8920 2056.9861 1939.4191 124.0655 -206052.2857 17906.4824 0.0000 0.0000 34060.5380 -149217.9026 297.4591 -183278.4405 -149126.4193 299.4188 46.4510 75.4570 559187.9163 7.5746 7.5330 PRESSURE: 4508600 273.877 10.0469 97.8568 10.0471 6.46602 -29.9148 97.8557 -29.916 199.973 GPRESSURE: 4508600 325.885 -0.393174 75.2574 34.1647 66.5676 -27.6285 113.101 -90.546 191.076 PRESSAVG: 4508600 41.984 -37.1982 -38.4157 -37.1982 -6.61859 -19.8908 -38.4157 -19.8909 -31.1043 GPRESSAVG: 4508600 42.7107 -38.5221 -35.8374 -35.2046 -7.07328 -19.9101 -38.7773 -18.197 -31.728 TIMING: 4508600 CPU: 13543.2, 0.00296869/step Wall: 13543.2, 0.00296869/step, 0.405226 hours remaining, 209.214844 MB of memory in use. ENERGY: 4508600 763.0884 2069.9635 1939.4826 110.8469 -206695.8216 18156.8882 0.0000 0.0000 34336.4151 -149319.1370 299.8685 -183655.5521 -149233.5437 299.0029 160.1054 194.5097 557159.6714 1.4204 1.3031 PRESSURE: 4508800 45.876 -150.139 110.604 -150.139 -56.6414 -48.5542 110.604 -48.5543 221.257 GPRESSURE: 4508800 66.6858 -201.183 42.5568 -91.4888 -50.428 -90.398 181.811 -93.6206 293.19 PRESSAVG: 4508800 22.4538 -44.6877 12.7673 -44.6876 33.2887 1.83586 12.7674 1.83576 -47.1737 GPRESSAVG: 4508800 22.6047 -44.1573 12.3384 -45.2929 32.9485 5.32767 15.7308 0.304282 -47.1146 TIMING: 4508800 CPU: 13543.8, 0.00298841/step Wall: 13543.8, 0.00298841/step, 0.407751 hours remaining, 209.214844 MB of memory in use. ENERGY: 4508800 751.2613 2070.7124 1939.6003 116.7813 -206544.6095 17902.0766 0.0000 0.0000 34279.7585 -149484.4191 299.3737 -183764.1776 -149390.5738 298.7710 70.1640 103.1493 556399.7483 2.8563 2.8129 PRESSURE: 4509000 25.4165 -104.973 -68.548 -104.971 -231.074 171.622 -68.5493 171.621 -293.11 GPRESSURE: 4509000 -1.29593 -52.0847 -44.2389 -142.504 -217.809 195.857 44.4613 167.988 -192.803 PRESSAVG: 4509000 -9.29619 -75.8275 36.7034 -75.8275 -10.3955 50.3513 36.7034 50.3513 0.224494 GPRESSAVG: 4509000 -9.80836 -75.2447 37.5693 -76.8568 -10.7428 49.1822 34.1638 47.8343 0.93154 TIMING: 4509000 CPU: 13544.4, 0.00299399/step Wall: 13544.4, 0.00299399/step, 0.408347 hours remaining, 209.214844 MB of memory in use. ENERGY: 4509000 723.3262 2095.1750 1984.3750 120.7564 -205877.1280 17434.8245 0.0000 0.0000 34249.2488 -149269.4220 299.1072 -183518.6709 -149179.0499 299.0754 -166.2559 -137.3024 558035.7095 -6.4891 -6.5399 PRESSURE: 4509200 -212.474 -158.966 -10.9416 -158.965 -108.857 111.144 -10.942 111.144 -264.752 GPRESSURE: 4509200 -176.247 -128.666 8.29911 -98.0915 -40.8917 36.9991 -3.13056 124.76 -275.294 PRESSAVG: 4509200 -19.0122 -63.1565 -15.691 -63.1564 40.1517 -8.97486 -15.691 -8.97487 -59.0938 GPRESSAVG: 4509200 -18.7366 -62.5053 -17.3605 -61.9696 40.7802 -10.7834 -13.7038 -5.43981 -60.2775 TIMING: 4509200 CPU: 13545, 0.00297261/step Wall: 13545, 0.00297261/step, 0.405266 hours remaining, 209.214844 MB of memory in use. ENERGY: 4509200 785.4225 2061.6399 1962.3556 103.2130 -205787.7687 17520.4192 0.0000 0.0000 34030.9403 -149323.7782 297.2007 -183354.7185 -149231.4099 299.5833 -195.3611 -164.1442 558821.4955 -12.6514 -12.7446 PRESSURE: 4509400 -80.9381 -26.2676 -102.338 -26.2666 -255.3 -68.1027 -102.34 -68.1042 -31.4395 GPRESSURE: 4509400 -68.2616 28.28 -194.149 -58.8229 -229.298 -46.5721 -170.925 -54.6513 32.8023 PRESSAVG: 4509400 37.4195 -64.1932 -22.9802 -64.1932 23.7344 8.40346 -22.9802 8.40351 -17.5127 GPRESSAVG: 4509400 37.8466 -64.7688 -22.0274 -65.547 23.6186 9.07974 -25.2954 7.27562 -17.474 TIMING: 4509400 CPU: 13545.6, 0.00298954/step Wall: 13545.6, 0.00298954/step, 0.407408 hours remaining, 209.214844 MB of memory in use. ENERGY: 4509400 765.0885 2106.1003 1944.6622 110.1273 -206429.3889 17849.4696 0.0000 0.0000 34304.4916 -149349.4494 299.5897 -183653.9410 -149257.8750 299.3436 -122.5592 -88.2524 557431.4863 14.5471 14.6637 PRESSURE: 4509600 112.32 14.9341 -94.5422 14.9337 242.183 -63.3358 -94.5426 -63.3354 222.203 GPRESSURE: 4509600 123.078 -67.8178 -125.838 48.1654 270.251 -56.4408 -22.1812 -66.0036 270.754 PRESSAVG: 4509600 -78.6732 6.48978 -24.9951 6.48971 44.5959 -14.4148 -24.9949 -14.4147 16.3401 GPRESSAVG: 4509600 -79.9768 5.19447 -27.7604 7.47962 44.1905 -14.3162 -22.8639 -14.0167 17.4164 TIMING: 4509600 CPU: 13546.2, 0.00299159/step Wall: 13546.2, 0.00299159/step, 0.407521 hours remaining, 209.214844 MB of memory in use. ENERGY: 4509600 743.0369 2096.4615 1979.4869 98.2302 -206721.7242 18147.6073 0.0000 0.0000 34347.0061 -149309.8953 299.9609 -183656.9014 -149214.1609 299.9110 192.2353 221.3612 556655.8377 -5.9124 -6.1233 PRESSURE: 4509800 -61.6326 32.2501 -240.471 32.2508 85.1497 -107.317 -240.47 -107.317 -324.271 GPRESSURE: 4509800 -68.387 52.7083 -180.03 -1.72923 144.988 -79.266 -330.537 -92.3634 -288.736 PRESSAVG: 4509800 38.2381 -6.69406 -73.4659 -6.69398 6.12781 -27.8827 -73.4658 -27.8827 -14.1912 GPRESSAVG: 4509800 40.2638 -4.65027 -70.8534 -9.63119 5.54659 -25.338 -77.8484 -29.9169 -15.1679 TIMING: 4509800 CPU: 13546.8, 0.00299147/step Wall: 13546.8, 0.00299147/step, 0.407338 hours remaining, 209.214844 MB of memory in use. ENERGY: 4509800 740.7133 2103.4811 1999.9937 100.3544 -205915.5073 17693.8002 0.0000 0.0000 34108.3185 -149168.8461 297.8764 -183277.1646 -149074.1105 299.4144 -100.2515 -70.7118 558802.8449 10.0582 10.2142 PRESSURE: 4510000 -196.345 -193.434 27.9706 -193.435 118.307 -67.5422 27.971 -67.5436 -10.2547 GPRESSURE: 4510000 -219.149 -170.896 86.4786 -241.854 190.224 -107.68 -55.4915 19.443 26.6977 PRESSAVG: 4510000 -33.337 -16.5101 -26.8233 -16.5101 18.5498 -19.1453 -26.8234 -19.1454 1.67691 GPRESSAVG: 4510000 -34.1303 -16.8461 -26.776 -15.0182 19.9332 -21.5279 -24.181 -17.8191 0.33054 TIMING: 4510000 CPU: 13547.4, 0.00297068/step Wall: 13547.4, 0.00297068/step, 0.404343 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: 4510000 811.3597 2112.0820 1931.3751 111.9861 -206426.5719 17927.8269 0.0000 0.0000 34381.0900 -149150.8522 300.2586 -183531.9422 -149060.4077 300.2153 -29.4311 -0.7426 557804.4483 -4.3701 -4.6222 PRESSURE: 4510200 207.531 -55.1126 -166.981 -55.1128 222.86 -206.558 -166.981 -206.556 -121.038 GPRESSURE: 4510200 218.903 58.1698 -210.099 -171.053 217.765 -240.329 -106.506 -199.004 -18.7872 PRESSAVG: 4510200 -5.2452 -6.18861 -38.3635 -6.18854 16.5646 -12.3771 -38.3635 -12.3771 -10.0683 GPRESSAVG: 4510200 -6.6693 -6.1698 -37.9146 -5.17625 16.3985 -10.835 -38.2918 -12.0287 -8.64478 TIMING: 4510200 CPU: 13548, 0.00299199/step Wall: 13548, 0.00299199/step, 0.407077 hours remaining, 209.214844 MB of memory in use. ENERGY: 4510200 749.5089 2071.0832 1946.4623 115.2140 -206123.8082 17886.1024 0.0000 0.0000 34050.0173 -149305.4201 297.3673 -183355.4373 -149209.3147 299.8572 103.1175 139.2936 557651.5132 0.4170 0.3615 PRESSURE: 4510400 26.4978 -8.38789 -132.314 -8.38901 -252.187 -112.376 -132.312 -112.376 -203.552 GPRESSURE: 4510400 90.4697 55.5259 -9.14429 -30.1815 -223.983 -109.686 -165.114 -16.6638 -189.022 PRESSAVG: 4510400 7.42784 -20.3249 -8.34746 -20.3248 -25.8416 -58.3205 -8.34749 -58.3206 -9.28357 GPRESSAVG: 4510400 8.9377 -19.7255 -7.60747 -20.8554 -27.0215 -59.123 -8.762 -59.7083 -9.2848 TIMING: 4510400 CPU: 13548.6, 0.00295707/step Wall: 13548.6, 0.00295707/step, 0.402162 hours remaining, 209.214844 MB of memory in use. ENERGY: 4510400 738.7696 2079.4958 1977.9598 117.3446 -206248.8684 17866.0690 0.0000 0.0000 34281.2124 -149188.0172 299.3864 -183469.2296 -149091.6518 298.3882 -143.0802 -107.5115 558518.3310 -9.2325 -9.1229 PRESSURE: 4510600 -15.83 -229.442 30.778 -229.44 53.2505 -9.3082 30.7777 -9.30812 -57.382 GPRESSURE: 4510600 4.39739 -79.1552 60.1663 -250.027 100.209 -13.5407 -42.0218 -29.5196 -37.8593 PRESSAVG: 4510600 22.0335 -52.1416 -55.456 -52.1416 13.1231 -4.92222 -55.456 -4.92222 -9.71719 GPRESSAVG: 4510600 22.1164 -52.0647 -58.1194 -54.461 14.0265 -5.3796 -53.4375 -2.98512 -10.6434 TIMING: 4510600 CPU: 13549.2, 0.00294805/step Wall: 13549.2, 0.00294805/step, 0.400772 hours remaining, 209.214844 MB of memory in use. ENERGY: 4510600 791.0874 2129.7895 1949.0609 121.4518 -206510.5610 18009.9917 0.0000 0.0000 34251.9674 -149257.2122 299.1310 -183509.1796 -149163.7282 298.7243 -6.6538 22.2489 557610.9997 8.4798 8.4998 PRESSURE: 4510800 21.248 -54.3987 55.2538 -54.398 18.6028 -67.2616 55.2535 -67.2634 -296.102 GPRESSURE: 4510800 35.2245 71.9641 47.5217 -129.2 99.0391 -124.922 140.703 -28.8893 -292.04 PRESSAVG: 4510800 -20.487 -22.5331 -51.5773 -22.5332 36.2244 26.1364 -51.5773 26.1363 -12.7018 GPRESSAVG: 4510800 -21.9918 -22.5128 -51.2027 -23.4023 36.8241 28.2471 -50.8749 24.8816 -12.2458 TIMING: 4510800 CPU: 13549.8, 0.00298464/step Wall: 13549.8, 0.00298464/step, 0.405579 hours remaining, 209.214844 MB of memory in use. ENERGY: 4510800 732.6243 2123.1506 1945.1872 100.3464 -206018.7690 17654.2551 0.0000 0.0000 34151.2031 -149312.0023 298.2510 -183463.2054 -149215.7565 299.4923 -85.4172 -52.5920 558633.3183 1.0119 0.8622 PRESSURE: 4511000 242.242 68.7857 69.4683 68.7854 155.637 -50.6832 69.4668 -50.6824 4.48779 GPRESSURE: 4511000 252.946 -1.14856 -46.4182 187.155 209.469 -65.5445 90.2391 -42.0265 30.797 PRESSAVG: 4511000 10.73 -47.5932 -66.1162 -47.5933 -6.45471 29.7206 -66.1161 29.7208 -24.802 GPRESSAVG: 4511000 11.3216 -49.072 -65.6061 -45.9233 -7.30396 28.8281 -65.8795 29.3867 -24.5877 TIMING: 4511000 CPU: 13550.4, 0.00301371/step Wall: 13550.4, 0.00301371/step, 0.409362 hours remaining, 209.214844 MB of memory in use. ENERGY: 4511000 735.2323 2124.3303 1924.4008 105.7710 -206640.7670 18112.2644 0.0000 0.0000 34426.0669 -149212.7015 300.6514 -183638.7684 -149125.0988 299.2395 134.1220 164.4040 556338.7637 -6.8422 -6.8567 PRESSURE: 4511200 -3.93795 109.77 82.4183 109.77 -35.976 31.3905 82.4194 31.3901 -386.033 GPRESSURE: 4511200 61.0294 127.336 84.3522 101.639 -31.3916 10.9724 131.538 22.408 -357.343 PRESSAVG: 4511200 34.1542 -0.00391166 -9.53962 -0.00394505 15.3992 23.3122 -9.53965 23.312 -59.5091 GPRESSAVG: 4511200 34.0115 0.46848 -11.8933 1.94371 15.4555 21.3433 -10.8218 24.8274 -58.9225 TIMING: 4511200 CPU: 13551, 0.00295414/step Wall: 13551, 0.00295414/step, 0.401107 hours remaining, 209.214844 MB of memory in use. ENERGY: 4511200 746.7328 2086.1512 1933.9222 109.4950 -206000.7070 17643.8016 0.0000 0.0000 34247.7073 -149232.8968 299.0937 -183480.6041 -149134.0330 299.3361 -141.9822 -109.2352 558567.8884 -3.3186 -3.1518 PRESSURE: 4511400 -89.175 -80.2886 130.405 -80.2874 -28.6695 14.8629 130.405 14.8642 -232.074 GPRESSURE: 4511400 3.54149 -140.118 43.1207 34.8676 -28.3596 -0.105772 64.9057 107.726 -227.602 PRESSAVG: 4511400 9.58141 -24.54 18.7058 -24.5399 38.7737 15.3409 18.7058 15.3409 -39.8307 GPRESSAVG: 4511400 10.5713 -24.8845 19.8528 -26.3553 39.5413 15.2588 18.1992 15.8914 -41.4728 TIMING: 4511400 CPU: 13551.6, 0.00296163/step Wall: 13551.6, 0.00296163/step, 0.40196 hours remaining, 209.417969 MB of memory in use. ENERGY: 4511400 779.2360 2106.3647 1912.6571 106.8069 -206039.2543 17657.1545 0.0000 0.0000 34409.0444 -149067.9908 300.5027 -183477.0352 -148975.3452 299.5282 -116.6394 -84.1400 557793.8050 2.8415 2.8799 PRESSURE: 4511600 -320.827 -124.073 176.53 -124.072 -384.913 90.5289 176.53 90.528 -95.2302 GPRESSURE: 4511600 -337.947 -51.8485 188.857 -215.892 -331.074 93.0804 118.672 161.952 -35.5318 PRESSAVG: 4511600 -54.0172 -9.08161 -11.6951 -9.08154 18.3474 -30.4197 -11.6951 -30.4197 32.4101 GPRESSAVG: 4511600 -54.1655 -8.97694 -11.3912 -9.40008 18.047 -30.2007 -11.1094 -29.179 32.2106 TIMING: 4511600 CPU: 13552.2, 0.00294968/step Wall: 13552.2, 0.00294968/step, 0.400173 hours remaining, 209.417969 MB of memory in use. ENERGY: 4511600 715.3085 2127.7908 1941.4913 108.4172 -205741.3718 17497.9335 0.0000 0.0000 34253.0058 -149097.4247 299.1400 -183350.4305 -149003.8775 299.4532 -266.9901 -234.8508 560893.0544 -1.0866 -1.3026 PRESSURE: 4511800 -199.891 126.434 12.6097 126.434 -250.711 117.373 12.6086 117.372 -345.572 GPRESSURE: 4511800 -162.292 72.7635 4.67483 82.3078 -217.803 101.577 93.7232 131.606 -312.694 PRESSAVG: 4511800 -47.2294 1.13407 -19.3001 1.13412 76.7302 -20.805 -19.3001 -20.805 -18.5952 GPRESSAVG: 4511800 -47.8382 -1.09794 -17.6204 2.79283 77.1473 -21.4841 -21.2612 -23.2294 -18.0048 TIMING: 4511800 CPU: 13552.8, 0.00297944/step Wall: 13552.8, 0.00297944/step, 0.404045 hours remaining, 209.417969 MB of memory in use. ENERGY: 4511800 788.9672 2135.5614 1904.5099 101.0444 -205741.9471 17467.8094 0.0000 0.0000 34186.3790 -149157.6757 298.5582 -183344.0547 -149060.0373 299.1394 -265.3912 -230.9297 559723.3510 3.6352 3.7681 PRESSURE: 4512000 -123.688 35.2558 -160.184 35.2554 -163.8 52.6826 -160.184 52.6847 -393.082 GPRESSURE: 4512000 -36.9566 33.4178 -173.923 88.1659 -225.891 48.1889 -137.842 105.557 -322.3 PRESSAVG: 4512000 3.97692 17.8158 20.8566 17.8158 41.7223 -7.94834 20.8565 -7.94831 -36.4374 GPRESSAVG: 4512000 5.01943 20.7971 19.1314 17.3179 40.6363 -5.7782 21.7687 -6.81175 -35.9514 TIMING: 4512000 CPU: 13553.3, 0.00296641/step Wall: 13553.3, 0.00296641/step, 0.402113 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: 4512000 758.7138 2157.6789 1924.7348 107.4565 -205933.2638 17625.5300 0.0000 0.0000 34165.0015 -149194.1482 298.3715 -183359.1497 -149096.3863 299.7381 -226.8570 -195.0494 559107.0466 3.0873 3.2348 PRESSURE: 4512200 65.8107 20.707 108.022 20.7058 -190.735 31.7198 108.021 31.7197 59.4853 GPRESSURE: 4512200 114.279 108.864 58.5685 -1.77561 -139.502 -104.858 116.99 99.3728 44.5594 PRESSAVG: 4512200 10.196 24.3623 -31.7885 24.3622 -13.0496 -65.1364 -31.7885 -65.1363 8.64935 GPRESSAVG: 4512200 9.3671 23.7845 -30.7732 24.2351 -12.4707 -66.3835 -32.3825 -65.3241 8.29687 TIMING: 4512200 CPU: 13553.9, 0.0029909/step Wall: 13553.9, 0.0029909/step, 0.405266 hours remaining, 209.417969 MB of memory in use. ENERGY: 4512200 753.2738 2095.3451 1919.3868 109.7858 -206161.1430 17724.0789 0.0000 0.0000 34348.8252 -149210.4474 299.9768 -183559.2726 -149114.7472 299.4445 -21.8131 6.4456 556825.8560 1.9319 1.7311 LDB: ============= START OF LOAD BALANCING ============== 13557.5 LDB: ============== END OF LOAD BALANCING =============== 13557.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13557.5 LDB: ============= START OF LOAD BALANCING ============== 13557.8 LDB: Largest compute 4773 load 0.027092 is 22.9% of average load 0.118221 LDB: Average compute 0.001732 is 1.5% of average load 0.118221 LDB: TIME 13557.8 LOAD: AVG 0.118221 MAX 0.209033 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.781 MB LDB: TIME 13557.8 LOAD: AVG 0.118221 MAX 0.209033 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.812 MB LDB: TIME 13557.8 LOAD: AVG 0.118221 MAX 0.209033 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.812 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13557.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13557.8 PRESSURE: 4512400 -55.4486 -52.0714 -45.4141 -52.0724 -11.832 -147.149 -45.4162 -147.147 66.2511 GPRESSURE: 4512400 -28.7424 -13.7034 -6.52577 -25.8869 60.9535 -114.806 27.7062 -66.6598 69.0349 PRESSAVG: 4512400 -56.0293 19.1858 17.3037 19.1856 30.3691 -28.4135 17.3038 -28.4135 -3.77882 GPRESSAVG: 4512400 -56.0452 20.7555 18.1193 17.65 30.0447 -28.8103 17.3744 -27.2003 -3.50808 TIMING: 4512400 CPU: 13554.6, 0.00303994/step Wall: 13554.6, 0.00303994/step, 0.411743 hours remaining, 208.976562 MB of memory in use. ENERGY: 4512400 728.5145 2116.0677 1943.4674 106.3765 -206166.5923 17813.0065 0.0000 0.0000 34177.9123 -149281.2474 298.4842 -183459.1597 -149176.7153 298.9399 -0.3432 33.7487 558035.2853 -9.8130 -9.8362 PRESSURE: 4512600 155.485 -5.29304 42.3686 -5.29138 -48.5382 -8.84653 42.3691 -8.8463 59.5029 GPRESSURE: 4512600 192.115 -57.8608 83.8922 -37.8203 -72.7053 -5.94836 40.1293 -3.96659 134.034 PRESSAVG: 4512600 62.5835 -22.9994 -1.44031 -22.9994 -28.4687 -35.7925 -1.44037 -35.7924 35.4544 GPRESSAVG: 4512600 63.0723 -24.0438 -1.99875 -21.9035 -29.1539 -35.8622 1.35811 -36.2944 35.5932 TIMING: 4512600 CPU: 13555.1, 0.00298586/step Wall: 13555.1, 0.00298586/step, 0.404252 hours remaining, 209.179688 MB of memory in use. ENERGY: 4512600 766.9152 2071.2317 1945.6096 102.4226 -206450.0793 17965.4323 0.0000 0.0000 34239.6456 -149358.8224 299.0233 -183598.4679 -149256.5693 299.4048 55.4833 84.4814 557997.5398 23.1897 23.1705 PRESSURE: 4512800 144.677 191.632 -16.3866 191.632 123.131 -40.6447 -16.3868 -40.6432 84.597 GPRESSURE: 4512800 173.175 203.668 32.9454 91.1681 168.922 -7.1675 -61.6862 -31.8886 115.92 PRESSAVG: 4512800 16.9222 16.4966 25.3245 16.4966 -16.6476 2.94322 25.3246 2.94324 6.45682 GPRESSAVG: 4512800 17.2211 15.9716 25.1605 14.9098 -15.1853 2.5154 23.2821 2.10186 4.78295 TIMING: 4512800 CPU: 13555.7, 0.00299378/step Wall: 13555.7, 0.00299378/step, 0.405159 hours remaining, 209.179688 MB of memory in use. ENERGY: 4512800 764.8246 2097.8470 1934.9984 113.9972 -206516.6531 18003.9013 0.0000 0.0000 34179.3087 -149421.7760 298.4964 -183601.0846 -149320.6220 298.6158 117.4684 152.6720 556627.3627 2.2438 2.2729 PRESSURE: 4513000 -268.401 174.916 -69.1867 174.916 -205.67 -11.8768 -69.1878 -11.877 65.3565 GPRESSURE: 4513000 -188.246 97.8026 -21.3605 251.018 -185.722 -39.3046 -88.1166 44.2353 72.2827 PRESSAVG: 4513000 -36.617 2.52756 11.0881 2.52749 -2.01121 13.8128 11.0881 13.8128 48.3445 GPRESSAVG: 4513000 -34.9436 0.285413 12.1675 3.14396 -2.67236 14.4396 11.3778 13.9428 47.2987 TIMING: 4513000 CPU: 13556.3, 0.00295799/step Wall: 13556.3, 0.00295799/step, 0.400151 hours remaining, 209.179688 MB of memory in use. ENERGY: 4513000 736.1941 2112.7535 1947.1487 119.7028 -206171.5010 17711.8482 0.0000 0.0000 34192.4389 -149351.4149 298.6111 -183543.8538 -149253.6336 298.7312 -136.2382 -100.5616 557533.3664 3.2388 3.2276 PRESSURE: 4513200 205.968 -24.4555 35.0832 -24.4553 -167.579 -15.5953 35.0823 -15.5946 138.357 GPRESSURE: 4513200 219.252 -16.0184 56.5769 -73.3748 -122.282 39.8488 -29.3245 -52.0815 174.678 PRESSAVG: 4513200 30.0641 68.3808 14.5769 68.3808 -56.059 -34.8333 14.577 -34.8333 58.5209 GPRESSAVG: 4513200 29.8764 71.1741 13.8696 68.0175 -56.3349 -33.5448 14.4956 -35.3658 59.0025 TIMING: 4513200 CPU: 13556.9, 0.00298606/step Wall: 13556.9, 0.00298606/step, 0.403782 hours remaining, 209.179688 MB of memory in use. ENERGY: 4513200 756.0519 2041.2244 1942.7688 101.5517 -206508.9735 17922.9015 0.0000 0.0000 34442.0264 -149302.4488 300.7908 -183744.4752 -149212.5740 298.3093 58.9154 90.5491 556514.2068 10.8420 10.8480 PRESSURE: 4513400 -111.495 18.0169 -31.2243 18.0177 -321.095 -272.117 -31.2233 -272.119 -195.728 GPRESSURE: 4513400 -101.484 20.9368 -72.7849 74.6106 -258.182 -216.679 3.31539 -339.811 -160.85 PRESSAVG: 4513400 54.668 16.4975 31.6697 16.4975 -62.8552 -29.2728 31.6697 -29.2728 12.2579 GPRESSAVG: 4513400 52.4089 14.9656 31.9294 17.7709 -60.4317 -31.2341 30.5793 -29.973 12.3136 TIMING: 4513400 CPU: 13557.5, 0.00297634/step Wall: 13557.5, 0.00297634/step, 0.402302 hours remaining, 209.179688 MB of memory in use. ENERGY: 4513400 761.7676 2112.2216 1916.8650 112.9853 -205952.9335 17517.6747 0.0000 0.0000 34268.9417 -149262.4776 299.2792 -183531.4193 -149164.8763 299.4764 -209.4395 -173.5055 557266.7519 1.3569 1.4303 PRESSURE: 4513600 -102.548 -28.8451 42.9905 -28.8439 -28.5017 -30.1627 42.9928 -30.1617 -40.0054 GPRESSURE: 4513600 -33.043 -37.5691 -7.18081 9.37485 34.0693 54.3673 -11.2671 -86.8003 -70.734 PRESSAVG: 4513600 -8.33538 20.0652 -24.1993 20.0652 -11.6301 13.1154 -24.1993 13.1155 34.6598 GPRESSAVG: 4513600 -6.81425 19.7736 -26.7413 21.0183 -12.3539 14.8608 -22.5509 13.7641 33.8926 TIMING: 4513600 CPU: 13558.1, 0.0029701/step Wall: 13558.1, 0.0029701/step, 0.401293 hours remaining, 209.179688 MB of memory in use. ENERGY: 4513600 756.5746 2071.2360 1934.5233 109.2788 -206181.8291 17734.7046 0.0000 0.0000 34229.5429 -149345.9691 298.9351 -183575.5120 -149249.0021 299.0777 -57.0185 -23.2359 558036.1334 4.8981 4.9082 PRESSURE: 4513800 -247.68 -9.92998 194.041 -9.93014 -137.891 -163.996 194.042 -163.997 -34.0615 GPRESSURE: 4513800 -171.441 -38.8178 147.939 -12.7095 -96.8708 -115.922 228.944 -146.988 -45.9081 PRESSAVG: 4513800 -17.2773 -24.1696 20.3461 -24.1696 25.3711 -61.2111 20.3462 -61.2111 -16.2429 GPRESSAVG: 4513800 -17.7687 -23.3885 25.5996 -25.615 24.8324 -61.6566 17.1086 -61.3289 -14.8147 TIMING: 4513800 CPU: 13558.7, 0.00296088/step Wall: 13558.7, 0.00296088/step, 0.399883 hours remaining, 209.179688 MB of memory in use. ENERGY: 4513800 734.5669 2096.2704 1924.0293 114.0853 -206237.3407 17732.7028 0.0000 0.0000 34295.2300 -149340.4560 299.5088 -183635.6859 -149236.1066 299.2351 -139.8773 -104.7400 557361.5420 -2.7164 -2.5836 PRESSURE: 4514000 -106.906 57.9595 -101.713 57.96 61.7422 37.0448 -101.716 37.0436 13.4792 GPRESSURE: 4514000 -130.544 8.11788 -100.242 104.363 119.35 -3.61543 -155.171 13.0371 79.3302 PRESSAVG: 4514000 -45.0843 57.346 45.3098 57.346 37.0404 0.493029 45.3097 0.492988 24.4063 GPRESSAVG: 4514000 -45.6721 55.438 41.6203 59.2016 38.6327 0.807626 48.7499 1.59601 23.4951 TIMING: 4514000 CPU: 13559.3, 0.00293322/step Wall: 13559.3, 0.00293322/step, 0.395985 hours remaining, 209.179688 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: 4514000 717.4633 2064.4067 1926.5876 109.6338 -206221.1415 17688.5680 0.0000 0.0000 34337.9973 -149376.4848 299.8823 -183714.4821 -149283.8855 299.3341 -10.5614 22.7119 555609.7998 5.4541 5.4852 PRESSURE: 4514200 166.948 -56.2241 248.352 -56.2228 -106.921 -68.6217 248.354 -68.6198 332.441 GPRESSURE: 4514200 213.163 23.7398 253.674 -204.476 -75.0263 -123.621 293.168 -39.0448 350.217 PRESSAVG: 4514200 -37.0864 -50.0846 2.93875 -50.0844 23.6558 -24.2865 2.93885 -24.2863 16.4295 GPRESSAVG: 4514200 -36.5933 -47.337 1.85681 -51.7777 21.6223 -24.8411 4.30256 -24.3013 17.8414 TIMING: 4514200 CPU: 13559.9, 0.00293779/step Wall: 13559.9, 0.00293779/step, 0.396438 hours remaining, 209.179688 MB of memory in use. ENERGY: 4514200 722.7307 2075.8605 1931.6105 100.4672 -206038.5699 17836.8981 0.0000 0.0000 34192.0539 -149178.9490 298.6077 -183371.0029 -149080.7156 299.6601 130.8228 162.7846 556405.0655 0.9996 0.9568 PRESSURE: 4514400 188.35 16.6405 18.7184 16.6402 182.046 53.0298 18.7199 53.03 324.28 GPRESSURE: 4514400 280.458 6.65977 87.5311 -37.8554 176.354 66.4927 11.2709 -6.82929 335.398 PRESSAVG: 4514400 -28.2542 13.4633 -58.5101 13.4633 -8.14812 -37.5731 -58.5101 -37.573 39.8925 GPRESSAVG: 4514400 -28.2979 13.7511 -56.3943 13.3618 -6.69862 -36.0135 -59.3021 -38.7264 38.3336 TIMING: 4514400 CPU: 13560.5, 0.00293684/step Wall: 13560.5, 0.00293684/step, 0.396147 hours remaining, 209.179688 MB of memory in use. ENERGY: 4514400 758.8856 2116.8040 1960.6652 108.1979 -206531.0459 18023.4092 0.0000 0.0000 34253.3485 -149309.7355 299.1430 -183563.0839 -149218.7023 298.8965 231.5585 264.0701 556536.9833 1.1634 1.1123 PRESSURE: 4514600 -147.395 -54.0562 32.6333 -54.0564 -106.923 -82.3317 32.6337 -82.3325 -6.88954 GPRESSURE: 4514600 -135.243 -82.51 65.0644 -69.1327 -31.1522 -131.563 30.9 9.43186 -1.08631 PRESSAVG: 4514600 18.1733 -21.0842 -27.8861 -21.0842 -11.1117 -35.4367 -27.8862 -35.4368 11.7479 GPRESSAVG: 4514600 17.3515 -22.0887 -28.8267 -22.3985 -10.9204 -35.0989 -28.5893 -36.7291 12.4846 TIMING: 4514600 CPU: 13561.1, 0.00297616/step Wall: 13561.1, 0.00297616/step, 0.401285 hours remaining, 209.179688 MB of memory in use. ENERGY: 4514600 742.7365 2129.2137 1916.6346 123.8201 -205928.5316 17483.3028 0.0000 0.0000 34343.7188 -149189.1051 299.9322 -183532.8239 -149089.2777 298.5347 -87.0693 -55.8272 557789.2342 6.2698 6.3052 PRESSURE: 4514800 -32.3054 12.3618 68.3773 12.3612 -179.339 -28.914 68.3772 -28.9126 11.4973 GPRESSURE: 4514800 67.6685 -20.6176 74.9039 71.1627 -182.148 -1.89304 16.0162 -78.6822 20.2004 PRESSAVG: 4514800 -55.5186 -32.1953 20.6203 -32.1953 -14.7382 -36.0618 20.6203 -36.0618 59.3018 GPRESSAVG: 4514800 -55.4106 -31.3516 20.4603 -30.3637 -14.4902 -36.3126 21.7035 -35.099 58.9358 TIMING: 4514800 CPU: 13561.7, 0.0029968/step Wall: 13561.7, 0.0029968/step, 0.403902 hours remaining, 209.179688 MB of memory in use. ENERGY: 4514800 745.3555 2089.0402 1960.8365 110.8065 -206224.2508 17890.2842 0.0000 0.0000 34316.0897 -149111.8383 299.6909 -183427.9279 -149006.8367 299.4772 -66.7158 -31.4263 558738.4035 -3.6517 -3.6550 PRESSURE: 4515000 -140.356 -152.097 151.175 -152.097 290.815 -45.8404 151.176 -45.8397 51.914 GPRESSURE: 4515000 -39.8291 -206.905 92.135 -124.569 297.095 -72.6635 148.098 -47.3706 48.8086 PRESSAVG: 4515000 -12.6137 -10.8045 2.69556 -10.8046 -4.4907 0.738254 2.69551 0.738269 -7.1254 GPRESSAVG: 4515000 -11.8543 -10.8627 1.62746 -12.4494 -5.24786 -2.28961 2.31142 2.96453 -7.31179 TIMING: 4515000 CPU: 13562.3, 0.00300615/step Wall: 13562.3, 0.00300615/step, 0.404995 hours remaining, 209.179688 MB of memory in use. ENERGY: 4515000 720.7208 2116.9259 1934.3574 115.7998 -206240.4216 17818.3468 0.0000 0.0000 34460.5550 -149073.7159 300.9526 -183534.2708 -148978.5572 299.6954 67.4579 102.0250 556901.0132 -8.0766 -8.1380 PRESSURE: 4515200 -227.638 31.8405 -214.342 31.84 -309.427 -2.98856 -214.344 -2.9878 38.2323 GPRESSURE: 4515200 -216.9 73.2416 -207.703 61.2573 -261.786 56.4782 -127.926 76.0334 66.3414 PRESSAVG: 4515200 24.5098 -32.803 -6.63413 -32.8031 -82.5203 16.6322 -6.63423 16.6322 111.977 GPRESSAVG: 4515200 24.0643 -33.3787 -5.74823 -30.7649 -82.8376 18.8529 -6.18464 16.2415 112.757 TIMING: 4515200 CPU: 13562.9, 0.00296107/step Wall: 13562.9, 0.00296107/step, 0.398757 hours remaining, 209.179688 MB of memory in use. ENERGY: 4515200 752.7610 2109.1151 1915.2867 129.4469 -206084.2241 17747.7816 0.0000 0.0000 34165.2473 -149264.5855 298.3736 -183429.8328 -149167.5326 299.3762 -166.2775 -137.4482 559072.5034 17.9888 17.9946 PRESSURE: 4515400 14.3923 -135.582 -1.89832 -135.583 195.868 10.8167 -1.89836 10.8154 262.197 GPRESSURE: 4515400 0.92171 -62.223 106.451 -164.651 237.186 -54.8499 -166.902 88.5654 313.786 PRESSAVG: 4515400 -13.1213 13.7444 -44.4224 13.7443 -48.4182 35.7055 -44.4225 35.7055 35.9628 GPRESSAVG: 4515400 -12.478 13.2454 -44.9149 12.6001 -49.0452 36.2381 -44.5868 34.647 36.1073 TIMING: 4515400 CPU: 13563.5, 0.00296001/step Wall: 13563.5, 0.00296001/step, 0.39845 hours remaining, 209.179688 MB of memory in use. ENERGY: 4515400 720.6285 2112.6580 1958.8060 113.5935 -206358.9622 18101.7262 0.0000 0.0000 34146.4912 -149205.0587 298.2098 -183351.5499 -149113.3969 298.9496 157.4858 183.9645 557678.4560 -8.5256 -8.4720 PRESSURE: 4515600 -67.964 175.643 -86.4519 175.642 -82.054 -62.0417 -86.4505 -62.041 -41.0202 GPRESSURE: 4515600 -41.0743 125.51 -98.2263 104.801 -2.9904 -76.5081 -72.2459 -95.1809 -48.4434 PRESSAVG: 4515600 -26.0825 -2.4866 -29.3872 -2.48665 10.9919 8.37873 -29.3872 8.3787 -32.4182 GPRESSAVG: 4515600 -26.7981 -2.26097 -29.9518 -0.973979 11.847 7.6691 -28.7272 9.1574 -32.5719 TIMING: 4515600 CPU: 13564.1, 0.00297159/step Wall: 13564.1, 0.00297159/step, 0.399844 hours remaining, 209.179688 MB of memory in use. ENERGY: 4515600 738.5348 2097.6798 1945.3777 112.9643 -206078.1167 17721.3592 0.0000 0.0000 34389.3685 -149072.8324 300.3309 -183462.2009 -148986.3843 299.8919 -63.6794 -30.8360 559119.1099 -15.8363 -15.8410 PRESSURE: 4515800 134.348 -215.143 104.439 -215.143 -16.142 -157.828 104.438 -157.828 78.9758 GPRESSURE: 4515800 216.113 -201.324 30.0647 -147.705 1.31763 -129.859 9.40338 -150.141 66.3617 PRESSAVG: 4515800 3.84562 51.4545 -4.36557 51.4545 -82.5225 -19.2906 -4.3655 -19.2905 93.4192 GPRESSAVG: 4515800 4.63237 51.7973 -3.38796 51.7382 -83.099 -19.9159 -5.66995 -19.9769 93.0624 TIMING: 4515800 CPU: 13564.7, 0.0030029/step Wall: 13564.7, 0.0030029/step, 0.40389 hours remaining, 209.179688 MB of memory in use. ENERGY: 4515800 733.2064 2110.2475 1944.1697 106.2311 -205902.6444 17711.8938 0.0000 0.0000 34385.0138 -148911.8822 300.2929 -183296.8960 -148812.9418 300.1350 65.7272 94.5976 558200.4315 4.9141 4.8652 PRESSURE: 4516000 -151.361 -18.3446 -61.3717 -18.3448 -110.033 48.286 -61.3717 48.2851 -162.916 GPRESSURE: 4516000 -131.328 0.128915 -19.8685 -5.44122 -106.775 -61.1116 -54.2811 160.862 -97.8552 PRESSAVG: 4516000 -3.10506 3.78972 36.3271 3.78973 8.74564 -31.0517 36.3271 -31.0516 18.5253 GPRESSAVG: 4516000 -3.45818 3.80725 37.2109 2.55341 8.73909 -29.3653 36.6924 -30.0766 18.6042 TIMING: 4516000 CPU: 13565.3, 0.00302924/step Wall: 13565.3, 0.00302924/step, 0.407265 hours remaining, 209.179688 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: 4516000 725.1961 2124.2422 1949.9169 110.6769 -205853.8282 17577.7890 0.0000 0.0000 34417.0286 -148948.9785 300.5725 -183366.0071 -148846.3447 299.5904 -141.4366 -111.9861 558739.5444 8.0553 7.9617 PRESSURE: 4516200 -30.5033 81.2328 15.6787 81.2338 56.9072 106.22 15.6785 106.22 -71.8554 GPRESSURE: 4516200 -15.261 54.7696 51.6367 17.629 74.0162 137.738 -17.1565 102.537 18.3865 PRESSAVG: 4516200 75.3115 -57.1744 -18.0816 -57.1744 -64.4028 -12.2769 -18.0815 -12.2769 -20.8485 GPRESSAVG: 4516200 75.05 -59.1811 -19.0944 -54.7091 -62.6558 -14.437 -18.2306 -12.6203 -22.165 TIMING: 4516200 CPU: 13565.9, 0.00298157/step Wall: 13565.9, 0.00298157/step, 0.400689 hours remaining, 209.179688 MB of memory in use. ENERGY: 4516200 729.4516 2049.8814 1976.2590 121.0338 -206087.4906 17936.6028 0.0000 0.0000 34145.3981 -149128.8639 298.2003 -183274.2621 -149030.2502 299.4287 -15.1505 25.7139 558149.3982 -3.3133 -3.2569 LDB: ============= START OF LOAD BALANCING ============== 13569.4 LDB: ============== END OF LOAD BALANCING =============== 13569.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13569.4 LDB: ============= START OF LOAD BALANCING ============== 13569.7 LDB: Largest compute 4773 load 0.027465 is 23.2% of average load 0.118159 LDB: Average compute 0.001729 is 1.5% of average load 0.118159 LDB: TIME 13569.7 LOAD: AVG 0.118159 MAX 0.209378 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.234 MB LDB: TIME 13569.7 LOAD: AVG 0.118159 MAX 0.209378 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.297 MB LDB: TIME 13569.7 LOAD: AVG 0.118159 MAX 0.209378 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.297 MB LDB: ============== END OF LOAD BALANCING =============== 13569.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13569.7 PRESSURE: 4516400 -113.459 218.585 -82.1467 218.586 -290.421 142.051 -82.1455 142.053 -138.033 GPRESSURE: 4516400 -111.054 184.692 -97.8751 276.578 -227.208 142.255 -108.215 59.8276 -93.84 PRESSAVG: 4516400 86.7725 40.7816 -10.8122 40.7816 -7.06452 13.9456 -10.8122 13.9455 -70.6102 GPRESSAVG: 4516400 87.1406 42.302 -9.6654 39.7929 -8.59071 13.6711 -9.71911 13.7477 -69.4878 TIMING: 4516400 CPU: 13566.5, 0.00303521/step Wall: 13566.5, 0.00303521/step, 0.40773 hours remaining, 209.574219 MB of memory in use. ENERGY: 4516400 802.9029 2116.3234 1945.0999 102.1015 -205931.1892 17716.3379 0.0000 0.0000 34194.0514 -149054.3722 298.6252 -183248.4236 -148953.7122 298.8580 -180.6379 -144.0340 559443.6373 3.0326 3.0207 PRESSURE: 4516600 21.3376 134.791 102.861 134.791 -159.531 -66.1112 102.861 -66.1114 -115.612 GPRESSURE: 4516600 90.6574 180.603 16.741 136.904 -179.441 61.5522 159.005 -42.6617 -63.7867 PRESSAVG: 4516600 54.7347 30.8261 -76.8205 30.8261 -13.4854 16.4894 -76.8205 16.4894 -15.6543 GPRESSAVG: 4516600 54.5567 31.9621 -78.7052 31.5 -12.5122 17.2905 -76.9153 15.6377 -15.8244 TIMING: 4516600 CPU: 13567.1, 0.00298047/step Wall: 13567.1, 0.00298047/step, 0.40021 hours remaining, 209.574219 MB of memory in use. ENERGY: 4516600 744.1544 2085.0450 1956.1324 101.1409 -206037.8173 17804.7993 0.0000 0.0000 34206.0663 -149140.4790 298.7301 -183346.5453 -149041.7387 299.4457 -84.6017 -50.8569 557402.0326 8.5317 8.7400 PRESSURE: 4516800 1.23944 -118.031 74.0857 -118.03 103.679 89.9648 74.0859 89.9647 -0.42261 GPRESSURE: 4516800 16.6946 -142.803 61.4378 -71.7404 134.177 28.125 11.8115 108.553 56.16 PRESSAVG: 4516800 17.9297 -48.8804 -16.4302 -48.8804 37.2542 -46.7195 -16.4301 -46.7196 -1.30082 GPRESSAVG: 4516800 17.7486 -49.0967 -15.3418 -48.2441 35.526 -47.4015 -17.1849 -46.0066 0.586806 TIMING: 4516800 CPU: 13567.7, 0.00299115/step Wall: 13567.7, 0.00299115/step, 0.401479 hours remaining, 209.574219 MB of memory in use. ENERGY: 4516800 722.3947 2125.9173 1933.6812 106.7401 -206186.4534 17805.8814 0.0000 0.0000 34407.2083 -149084.6306 300.4867 -183491.8388 -148985.6103 299.8686 34.8321 69.0107 557023.1567 17.9610 17.9538 PRESSURE: 4517000 -41.6811 145.941 107.887 145.94 220.962 0.317078 107.887 0.316601 -43.6031 GPRESSURE: 4517000 -36.9528 115.29 141.182 107.655 244 76.9876 60.7075 29.1174 21.1063 PRESSAVG: 4517000 40.8857 21.1182 -41.0964 21.1182 13.6451 27.6345 -41.0964 27.6345 -64.9809 GPRESSAVG: 4517000 40.9434 20.4269 -41.1386 20.1025 15.5286 28.0638 -40.5198 26.5318 -66.7516 TIMING: 4517000 CPU: 13568.2, 0.00296366/step Wall: 13568.2, 0.00296366/step, 0.397624 hours remaining, 209.718750 MB of memory in use. ENERGY: 4517000 746.8248 2077.6141 1961.7123 114.6313 -206378.2373 17954.1960 0.0000 0.0000 34504.7929 -149018.4659 301.3389 -183523.2588 -148919.6389 299.6456 45.2261 76.0511 556472.8341 -3.4834 -3.4265 PRESSURE: 4517200 -171.225 -51.2905 -75.841 -51.2909 187.459 50.8802 -75.8412 50.8799 -136.977 GPRESSURE: 4517200 -74.7332 -68.931 -76.5843 -1.97936 204.151 -48.146 -51.219 122.377 -146.664 PRESSAVG: 4517200 -14.0785 -21.6751 -46.9835 -21.6751 51.74 18.215 -46.9835 18.2152 -20.5605 GPRESSAVG: 4517200 -13.8555 -22.3145 -47.0474 -22.0814 50.5009 17.524 -48.6183 17.8171 -19.6687 TIMING: 4517200 CPU: 13568.8, 0.00297789/step Wall: 13568.8, 0.00297789/step, 0.399368 hours remaining, 209.718750 MB of memory in use. ENERGY: 4517200 754.3677 2142.9736 1921.1189 104.0639 -206188.2021 17815.6302 0.0000 0.0000 34332.2027 -149117.8451 299.8317 -183450.0478 -149017.1373 299.5445 -40.2477 -5.7487 556899.6932 5.7003 5.6589 PRESSURE: 4517400 -293.554 -133.929 56.6209 -133.928 65.57 46.4053 56.6205 46.4059 181.191 GPRESSURE: 4517400 -246.055 -108.441 1.64786 -114.272 71.5497 135.782 73.8356 -51.3278 228.675 PRESSAVG: 4517400 -8.8281 -4.36502 -47.0348 -4.36493 6.69915 -21.0634 -47.0348 -21.0633 3.67482 GPRESSAVG: 4517400 -8.17311 -4.00526 -47.0158 -4.38634 5.68837 -17.5225 -44.8982 -22.0356 4.15025 TIMING: 4517400 CPU: 13569.4, 0.00298661/step Wall: 13569.4, 0.00298661/step, 0.400372 hours remaining, 209.718750 MB of memory in use. ENERGY: 4517400 771.6131 2058.3052 1958.8670 125.5367 -205839.5751 17650.8110 0.0000 0.0000 34396.3530 -148878.0891 300.3919 -183274.4421 -148778.6921 300.5484 -15.5979 18.0565 556686.6688 0.5153 0.5552 PRESSURE: 4517600 9.52227 -103.425 -25.1827 -103.423 182.006 -89.5776 -25.1831 -89.5762 195.85 GPRESSURE: 4517600 39.7593 -112.922 27.8942 -203.849 191.905 -165.623 -25.9544 -34.1082 245.55 PRESSAVG: 4517600 -4.95546 -0.693499 31.6187 -0.69347 -57.7904 -28.3972 31.6187 -28.3973 41.029 GPRESSAVG: 4517600 -5.06595 -1.5808 31.8106 0.957633 -57.1834 -30.3301 30.2478 -27.768 40.4822 TIMING: 4517600 CPU: 13570, 0.00295887/step Wall: 13570, 0.00295887/step, 0.396489 hours remaining, 209.718750 MB of memory in use. ENERGY: 4517600 755.4600 2144.1488 1960.1339 109.8285 -206551.8128 18013.1765 0.0000 0.0000 34534.6812 -149034.3838 301.6000 -183569.0651 -148930.3713 300.0931 129.1261 159.0714 556927.0904 -7.2389 -7.2557 PRESSURE: 4517800 -50.0694 47.2196 -65.5827 47.22 -114.657 51.22 -65.5835 51.2199 167.607 GPRESSURE: 4517800 28.7073 72.4518 -44.4052 19.0159 -94.7198 -15.3371 -46.6135 46.9696 175.117 PRESSAVG: 4517800 -40.7691 36.1001 51.8778 36.1001 29.3656 16.541 51.8778 16.5409 37.7865 GPRESSAVG: 4517800 -40.4968 37.3115 50.4067 35.8868 29.6474 15.0746 53.9611 17.1159 37.6185 TIMING: 4517800 CPU: 13570.6, 0.00297534/step Wall: 13570.6, 0.00297534/step, 0.398531 hours remaining, 209.718750 MB of memory in use. ENERGY: 4517800 748.0161 2046.0545 1936.0985 122.2269 -205924.9572 17771.9835 0.0000 0.0000 34237.5969 -149062.9809 299.0054 -183300.5778 -148973.8819 300.2085 0.9605 36.3682 556720.7084 8.7943 8.9230 PRESSURE: 4518000 -98.1038 -38.7922 -94.1284 -38.7928 -24.7243 -19.0589 -94.1272 -19.0614 -93.829 GPRESSURE: 4518000 -74.2378 -48.627 -169.401 -56.107 -4.90658 -72.0253 -0.30406 -34.5365 -32.9722 PRESSAVG: 4518000 -18.108 -10.6909 20.1726 -10.6909 -12.6303 3.12272 20.1726 3.12274 36.3945 GPRESSAVG: 4518000 -17.7658 -10.3597 20.5439 -13.0402 -12.1629 3.992 18.4598 3.32946 36.0764 TIMING: 4518000 CPU: 13571.2, 0.0029631/step Wall: 13571.2, 0.0029631/step, 0.396727 hours remaining, 209.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4518000 778.6381 2042.9999 1959.7746 115.5594 -206459.7551 17934.6526 0.0000 0.0000 34513.6706 -149114.4600 301.4165 -183628.1306 -149016.9535 300.3873 -72.2190 -37.3722 556513.0952 1.8854 2.0492 PRESSURE: 4518200 -172.946 32.4085 17.5406 32.4083 -41.6081 -247.451 17.5406 -247.451 -179.058 GPRESSURE: 4518200 -146.597 -6.06407 4.15103 -19.9941 -28.4219 -262.671 -7.85357 -166.733 -118.081 PRESSAVG: 4518200 -45.219 32.2256 -13.6907 32.2256 -6.09337 -4.18355 -13.6906 -4.18354 22.0236 GPRESSAVG: 4518200 -44.3655 30.9502 -12.9627 33.3493 -6.58813 -6.81391 -15.5394 -2.72771 22.0588 TIMING: 4518200 CPU: 13571.8, 0.00299405/step Wall: 13571.8, 0.00299405/step, 0.400704 hours remaining, 209.718750 MB of memory in use. ENERGY: 4518200 747.9165 2069.1259 1953.2399 118.7466 -205733.9836 17549.9844 0.0000 0.0000 34116.3366 -149178.6336 297.9465 -183294.9702 -149086.6878 299.7936 -131.2042 -97.7000 558314.0082 -9.7629 -9.6316 PRESSURE: 4518400 183.861 -106.273 32.6224 -106.273 76.9807 31.9968 32.6211 31.9974 88.3267 GPRESSURE: 4518400 235.889 -12.3345 70.2061 -139.491 81.4724 92.8633 44.0503 45.3163 120.855 PRESSAVG: 4518400 8.10196 10.3599 40.9228 10.3599 18.0389 -29.8337 40.9227 -29.8337 -15.6343 GPRESSAVG: 4518400 6.39493 11.1535 41.8265 10.0919 18.5302 -26.7536 42.1295 -31.778 -14.5618 TIMING: 4518400 CPU: 13572.4, 0.00295996/step Wall: 13572.4, 0.00295996/step, 0.395976 hours remaining, 209.718750 MB of memory in use. ENERGY: 4518400 732.6800 2050.5135 1937.4982 127.5549 -206270.1221 18055.3955 0.0000 0.0000 34424.6662 -148941.8138 300.6392 -183366.4801 -148848.7928 299.4017 116.3894 146.0722 558599.4647 3.5022 3.4545 PRESSURE: 4518600 -49.6529 -24.8089 101.04 -24.8081 120.399 -13.1233 101.04 -13.1232 68.5924 GPRESSURE: 4518600 14.2046 -151.198 80.7536 142.357 169.602 -57.5619 110.413 64.8192 35.7266 PRESSAVG: 4518600 9.7388 -15.115 23.5468 -15.115 4.00117 -23.3678 23.5468 -23.368 8.84527 GPRESSAVG: 4518600 10.3739 -16.1177 21.8164 -12.7132 3.70566 -25.0082 24.2364 -21.8299 8.81503 TIMING: 4518600 CPU: 13573, 0.00297136/step Wall: 13573, 0.00297136/step, 0.397337 hours remaining, 209.718750 MB of memory in use. ENERGY: 4518600 704.1949 2064.6530 1915.3561 117.5997 -206126.6706 17685.8963 0.0000 0.0000 34581.2169 -149057.7538 302.0064 -183638.9707 -148956.6100 300.1308 46.4460 73.1776 557238.8874 7.5284 7.6315 PRESSURE: 4518800 -77.9388 -22.4821 -221.67 -22.4822 -55.1465 -21.6318 -221.671 -21.6301 -146.174 GPRESSURE: 4518800 -63.0536 81.2717 -212.225 -72.0293 7.44751 -51.6564 -252.128 23.4903 -109.839 PRESSAVG: 4518800 -25.1303 -8.0363 -21.2558 -8.03622 47.6474 -60.2997 -21.2559 -60.2996 -42.5655 GPRESSAVG: 4518800 -24.7871 -5.09659 -21.2858 -10.2228 47.1494 -59.3368 -21.7279 -62.1946 -42.1835 TIMING: 4518800 CPU: 13573.6, 0.00296669/step Wall: 13573.6, 0.00296669/step, 0.396548 hours remaining, 209.718750 MB of memory in use. ENERGY: 4518800 756.3470 2078.0737 1914.8408 119.3950 -205884.4321 17767.3898 0.0000 0.0000 34236.3388 -149012.0470 298.9945 -183248.3858 -148924.6921 300.1272 -93.0863 -55.1482 558329.3711 -6.6828 -6.6071 PRESSURE: 4519000 198.915 13.3541 186.44 13.3535 65.2024 -36.8366 186.441 -36.8357 -173.482 GPRESSURE: 4519000 265.776 -16.5936 134.433 105.469 83.1706 -5.96593 247.619 -103.648 -160.287 PRESSAVG: 4519000 3.39851 19.366 -4.50104 19.366 1.79527 9.47269 -4.50098 9.47266 -24.9469 GPRESSAVG: 4519000 3.83599 16.253 -3.35143 22.2914 3.14051 10.694 -4.15183 8.71582 -26.232 TIMING: 4519000 CPU: 13574.2, 0.00297139/step Wall: 13574.2, 0.00297139/step, 0.397011 hours remaining, 209.718750 MB of memory in use. ENERGY: 4519000 731.5915 2062.0042 1951.6798 116.5435 -205535.8255 17603.7502 0.0000 0.0000 34174.9579 -148895.2984 298.4584 -183070.2563 -148798.9915 300.2952 30.2120 62.8864 557904.4229 -6.5844 -6.4185 PRESSURE: 4519200 -112.147 -147.216 157.687 -147.217 -76.2087 -4.14503 157.687 -4.14534 -224.321 GPRESSURE: 4519200 -77.3648 -111.732 172.955 -148.719 -42.2137 -28.7979 87.0626 103.693 -198.502 PRESSAVG: 4519200 31.4596 9.07828 -5.28968 9.07829 3.02276 1.04157 -5.28976 1.0414 -39.1508 GPRESSAVG: 4519200 30.7445 9.41826 -6.53009 8.56613 1.67169 -0.221371 -3.58709 3.03303 -37.0428 TIMING: 4519200 CPU: 13574.8, 0.00296154/step Wall: 13574.8, 0.00296154/step, 0.39553 hours remaining, 209.718750 MB of memory in use. ENERGY: 4519200 773.7788 1989.7797 1954.0753 107.9832 -205680.4158 17586.3909 0.0000 0.0000 34129.2057 -149139.2022 298.0588 -183268.4079 -149042.3046 299.6425 -137.5589 -106.0267 558585.4037 -1.5562 -1.5422 PRESSURE: 4519400 102.337 -61.784 126.813 -61.784 -49.5889 -73.4459 126.814 -73.4458 -77.0136 GPRESSURE: 4519400 94.6272 -109.33 221.788 -56.9266 42.9076 -12.8206 -21.376 -116.836 -71.4081 PRESSAVG: 4519400 77.3669 -42.0574 23.6211 -42.0574 -39.7836 38.3864 23.6211 38.3863 -32.2907 GPRESSAVG: 4519400 78.2646 -39.3033 23.2609 -44.7035 -38.8489 37.0273 23.401 39.0097 -34.3715 TIMING: 4519400 CPU: 13575.4, 0.00296644/step Wall: 13575.4, 0.00296644/step, 0.396019 hours remaining, 209.718750 MB of memory in use. ENERGY: 4519400 771.4176 2101.7730 1947.3207 104.4153 -206151.9362 17824.7146 0.0000 0.0000 34192.2797 -149210.0153 298.6097 -183402.2949 -149110.0800 299.4762 -8.0886 22.0422 557712.5538 1.7642 1.6814 PRESSURE: 4519600 -52.3312 -74.6492 -57.7739 -74.6492 -57.4581 -1.66196 -57.774 -1.66361 146.305 GPRESSURE: 4519600 3.27021 -57.3271 20.2393 -57.2699 -27.4449 -44.8138 -54.8304 13.7217 164.349 PRESSAVG: 4519600 -14.7237 -35.4789 47.1905 -35.479 2.92922 12.1982 47.1906 12.1982 3.03043 GPRESSAVG: 4519600 -13.3685 -38.1089 47.65 -34.5934 2.60599 14.2261 44.5534 11.1146 2.28698 TIMING: 4519600 CPU: 13576, 0.00293905/step Wall: 13576, 0.00293905/step, 0.3922 hours remaining, 209.718750 MB of memory in use. ENERGY: 4519600 756.9475 2080.4459 1949.2192 111.9956 -206306.5588 17985.4095 0.0000 0.0000 34410.1047 -149012.4364 300.5120 -183422.5411 -148914.9188 298.8587 12.1719 46.7249 559949.7245 -2.9213 -2.8252 PRESSURE: 4519800 30.7509 -110.563 -51.0028 -110.564 -208.273 -48.91 -51.0035 -48.9104 124.767 GPRESSURE: 4519800 69.6781 -100.123 -43.7629 -77.4811 -170.644 -53.6336 -79.5413 -60.7123 156.806 PRESSAVG: 4519800 44.5421 40.1223 -10.543 40.1224 -6.61197 -49.9868 -10.543 -49.9869 -28.5848 GPRESSAVG: 4519800 43.4929 39.7524 -9.01008 41.1226 -5.89476 -48.8093 -10.4661 -50.6198 -27.6962 TIMING: 4519800 CPU: 13576.6, 0.00296556/step Wall: 13576.6, 0.00296556/step, 0.395573 hours remaining, 209.718750 MB of memory in use. ENERGY: 4519800 740.9837 2052.8857 1966.8095 111.2347 -206051.7837 17806.7922 0.0000 0.0000 34345.8909 -149027.1870 299.9512 -183373.0779 -148939.7614 299.8037 -17.5850 18.6135 558905.6206 3.1151 3.3006 PRESSURE: 4520000 69.6255 -136.471 28.9215 -136.47 13 -45.3639 28.9208 -45.3646 -307.319 GPRESSURE: 4520000 85.3813 -140.264 45.0229 -117.173 94.7407 -98.1126 9.5708 55.0971 -311.224 PRESSAVG: 4520000 45.9074 38.8209 69.3589 38.8209 5.13806 36.068 69.3589 36.0681 -58.1565 GPRESSAVG: 4520000 44.7698 38.4039 70.1914 37.2673 4.32477 34.1367 69.8901 35.91 -56.4865 TIMING: 4520000 CPU: 13577.2, 0.002959/step Wall: 13577.2, 0.002959/step, 0.394533 hours remaining, 209.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4520000 719.8366 2069.6780 1957.7811 117.3714 -205580.0646 17540.2633 0.0000 0.0000 34211.4031 -148963.7311 298.7767 -183175.1342 -148864.8864 299.4795 -74.8979 -43.7006 558031.2305 -2.3703 -2.4640 PRESSURE: 4520200 10.3229 12.8785 87.4383 12.8796 217.975 140.452 87.4387 140.45 -278.69 GPRESSURE: 4520200 55.6827 1.86127 35.3589 -3.37988 265.476 134.39 58.0685 143.548 -270.637 PRESSAVG: 4520200 7.24226 10.3048 29.8261 10.3049 -18.5146 -22.7279 29.8261 -22.7279 51.2659 GPRESSAVG: 4520200 8.37779 10.8 29.7721 10.0872 -19.4944 -23.526 31.3114 -21.3795 51.2365 TIMING: 4520200 CPU: 13577.7, 0.00295147/step Wall: 13577.7, 0.00295147/step, 0.393365 hours remaining, 209.718750 MB of memory in use. ENERGY: 4520200 722.6890 2078.4463 1939.3886 115.3151 -206279.6229 17873.0958 0.0000 0.0000 34365.8236 -149184.8645 300.1253 -183550.6880 -149091.1604 299.4931 -16.7972 16.8406 557668.0988 13.3312 13.3733 LDB: ============= START OF LOAD BALANCING ============== 13581.3 LDB: ============== END OF LOAD BALANCING =============== 13581.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13581.3 LDB: ============= START OF LOAD BALANCING ============== 13581.6 LDB: Largest compute 4772 load 0.026491 is 22.4% of average load 0.118225 LDB: Average compute 0.001724 is 1.5% of average load 0.118225 LDB: TIME 13581.6 LOAD: AVG 0.118225 MAX 0.208613 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.098 MB LDB: TIME 13581.6 LOAD: AVG 0.118225 MAX 0.208613 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.34 MB LDB: TIME 13581.6 LOAD: AVG 0.118225 MAX 0.208613 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.34 MB LDB: ============== END OF LOAD BALANCING =============== 13581.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13581.6 PRESSURE: 4520400 -11.8175 -101.97 22.6372 -101.969 -35.4749 72.4932 22.6371 72.4922 17.1961 GPRESSURE: 4520400 5.50009 -112.486 -51.0752 -39.4679 34.228 109.412 7.24518 95.767 26.745 PRESSAVG: 4520400 -0.584428 -0.390921 20.2564 -0.39092 -5.99165 -74.748 20.2564 -74.7479 -18.0228 GPRESSAVG: 4520400 -0.47201 -1.11001 18.813 0.323513 -4.71611 -72.5595 19.7778 -77.6404 -19.7167 TIMING: 4520400 CPU: 13578.3, 0.00300407/step Wall: 13578.3, 0.00300407/step, 0.40021 hours remaining, 211.039062 MB of memory in use. ENERGY: 4520400 743.1734 2024.6732 1955.6081 116.6419 -206321.9179 17810.2627 0.0000 0.0000 34424.0359 -149247.5228 300.6337 -183671.5586 -149150.6666 299.1708 -10.0321 22.1577 557659.9151 -8.1996 -8.3016 PRESSURE: 4520600 -16.5811 86.8407 43.6988 86.8413 8.17893 -111.369 43.6994 -111.37 -116.985 GPRESSURE: 4520600 77.2354 59.4225 7.87861 144.05 -12.3571 -229.043 42.0474 -84.9985 -97.5209 PRESSAVG: 4520600 -19.0754 40.9962 21.9476 40.9962 -45.7589 -7.43285 21.9477 -7.43286 65.6091 GPRESSAVG: 4520600 -20.2801 42.5133 20.8488 41.7645 -45.5462 -9.86831 22.7568 -6.29877 66.1436 TIMING: 4520600 CPU: 13578.9, 0.00298229/step Wall: 13578.9, 0.00298229/step, 0.397141 hours remaining, 211.039062 MB of memory in use. ENERGY: 4520600 755.4977 2103.1860 1925.7477 105.5730 -206229.7416 17810.3587 0.0000 0.0000 34305.0468 -149224.3317 299.5945 -183529.3785 -149127.3802 299.6152 -41.7959 -10.8808 558144.9032 0.2582 0.1058 PRESSURE: 4520800 -101.296 166.109 22.7205 166.11 201.689 -8.12102 22.72 -8.12178 -190.451 GPRESSURE: 4520800 -61.5334 23.7236 73.8954 256.236 183.883 -59.2441 -43.2762 96.3628 -126.973 PRESSAVG: 4520800 56.4568 43.482 89.7506 43.4819 -8.24574 -54.6532 89.7507 -54.6533 -44.9565 GPRESSAVG: 4520800 58.0035 41.9596 91.2718 42.6912 -9.32876 -53.5059 89.8667 -54.4383 -45.303 TIMING: 4520800 CPU: 13579.5, 0.00295069/step Wall: 13579.5, 0.00295069/step, 0.39277 hours remaining, 211.039062 MB of memory in use. ENERGY: 4520800 764.6258 2044.5176 1943.8424 125.1985 -206110.9792 17813.7817 0.0000 0.0000 34259.8843 -149159.1288 299.2001 -183419.0132 -149058.6711 300.2667 -30.0195 -1.5410 557481.1022 1.0848 1.1239 PRESSURE: 4521000 -49.0978 47.6167 9.13801 47.6183 -131.946 -71.1736 9.13627 -71.1728 -210.084 GPRESSURE: 4521000 -35.0589 75.7041 4.6604 -9.81649 -94.3548 -149.426 -21.2769 -61.1058 -156.063 PRESSAVG: 4521000 63.8183 88.7395 27.1001 88.7395 -29.7493 -25.9746 27.1001 -25.9746 -11.2884 GPRESSAVG: 4521000 63.7466 89.2811 27.2245 87.96 -29.2392 -26.8581 24.8111 -25.5629 -11.0522 TIMING: 4521000 CPU: 13580.1, 0.00294817/step Wall: 13580.1, 0.00294817/step, 0.392271 hours remaining, 211.039062 MB of memory in use. ENERGY: 4521000 732.2491 2133.8936 1937.8851 107.7128 -205827.5349 17517.8540 0.0000 0.0000 34256.1204 -149141.8200 299.1672 -183397.9403 -149044.9355 299.0828 -130.3759 -95.1589 557407.4797 7.5936 7.8184 PRESSURE: 4521200 -35.7905 -46.5001 -68.0738 -46.499 -311.304 171.779 -68.073 171.776 -436.608 GPRESSURE: 4521200 -8.53489 -26.4104 -53.3005 -40.1959 -258.178 32.8318 -105.849 196.599 -418.957 PRESSAVG: 4521200 17.5137 70.6172 26.7924 70.6172 46.6757 -22.0305 26.7924 -22.0305 -32.401 GPRESSAVG: 4521200 16.9501 70.6232 26.7033 74.0277 47.316 -22.8122 28.2344 -20.2257 -32.2187 TIMING: 4521200 CPU: 13580.7, 0.00295774/step Wall: 13580.7, 0.00295774/step, 0.39338 hours remaining, 211.039062 MB of memory in use. ENERGY: 4521200 727.1788 2077.8475 1957.0977 105.6590 -205725.0954 17370.7670 0.0000 0.0000 34241.8743 -149244.6710 299.0428 -183486.5454 -149141.6787 299.3325 -261.2343 -228.5568 558008.7410 10.5961 10.6825 PRESSURE: 4521400 -33.231 -39.6712 72.2573 -39.6708 -239.86 113.998 72.2571 113.997 -309.004 GPRESSURE: 4521400 14.4731 -61.0631 112.541 -97.0712 -211.828 170.33 23.8258 104.969 -290.443 PRESSAVG: 4521400 15.6082 -39.7756 36.198 -39.7756 -9.19655 34.1101 36.1981 34.1101 -24.0126 GPRESSAVG: 4521400 14.9586 -39.4768 37.0163 -42.4255 -8.95783 34.3356 34.9163 33.7001 -23.2928 TIMING: 4521400 CPU: 13581.3, 0.00300155/step Wall: 13581.3, 0.00300155/step, 0.399039 hours remaining, 211.234375 MB of memory in use. ENERGY: 4521400 792.9339 2084.4440 1949.0068 105.2340 -205791.5932 17422.8565 0.0000 0.0000 34422.7742 -149014.3437 300.6226 -183437.1179 -148927.9956 299.6473 -194.0314 -162.5993 556882.6119 -5.8670 -5.7640 PRESSURE: 4521600 -237.935 -79.2495 -86.1764 -79.2497 94.8998 56.3147 -86.1759 56.3159 -8.61939 GPRESSURE: 4521600 -196.095 -113.139 -65.0844 -83.4569 68.0535 -104.99 -88.2886 97.261 73.9668 PRESSAVG: 4521600 22.2893 -39.5633 23.6378 -39.5633 -20.5795 58.3637 23.6377 58.3637 -10.4907 GPRESSAVG: 4521600 23.8789 -40.8278 21.4589 -37.3449 -20.5557 58.8277 25.6903 58.2047 -11.9533 TIMING: 4521600 CPU: 13581.9, 0.00300835/step Wall: 13581.9, 0.00300835/step, 0.399776 hours remaining, 211.234375 MB of memory in use. ENERGY: 4521600 727.7163 2094.8925 1925.5971 107.5895 -206073.6663 17658.7319 0.0000 0.0000 34483.9624 -149075.1766 301.1570 -183559.1389 -148976.7033 300.3055 -50.5517 -18.0249 556498.5641 -2.9270 -2.8767 PRESSURE: 4521800 -142.395 74.0157 153.14 74.0152 -61.027 39.0946 153.14 39.0955 -229.513 GPRESSURE: 4521800 -100.385 35.8524 50.1519 54.8529 -76.1101 32.896 180.575 64.7718 -159.638 PRESSAVG: 4521800 -6.16309 -3.99322 -20.6822 -3.99314 41.3481 68.614 -20.6822 68.6139 -12.1515 GPRESSAVG: 4521800 -7.02376 -5.44715 -17.3888 -5.15437 41.9543 67.8225 -21.0194 69.1477 -11.9707 TIMING: 4521800 CPU: 13582.5, 0.00298459/step Wall: 13582.5, 0.00298459/step, 0.396452 hours remaining, 211.234375 MB of memory in use. ENERGY: 4521800 756.0140 2093.4077 1936.0614 116.2623 -205987.8209 17595.8209 0.0000 0.0000 34317.3092 -149172.9455 299.7016 -183490.2547 -149074.3557 299.9380 -144.3117 -112.0443 556633.3544 7.6778 7.6533 PRESSURE: 4522000 -244.287 -11.8416 -0.564425 -11.8411 249.186 -187.203 -0.563994 -187.204 192.451 GPRESSURE: 4522000 -181.543 1.36529 115.693 -5.59855 296.402 -180.928 2.20979 -149.368 175.045 PRESSAVG: 4522000 -17.7884 -34.7836 14.2934 -34.7836 37.461 -51.0781 14.2933 -51.0781 -17.7553 GPRESSAVG: 4522000 -16.7249 -33.8144 13.0385 -35.3899 37.2382 -51.0481 13.0931 -50.6388 -18.5139 TIMING: 4522000 CPU: 13583.1, 0.00298525/step Wall: 13583.1, 0.00298525/step, 0.396375 hours remaining, 211.234375 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: 4522000 783.6191 2084.7878 1962.6991 110.1827 -206537.7071 17914.0393 0.0000 0.0000 34456.7360 -149225.6432 300.9192 -183682.3791 -149134.5629 299.5780 65.7835 96.6350 556691.7153 0.6391 0.6665 PRESSURE: 4522200 264.861 -147.285 39.071 -147.283 0.882653 60.4255 39.0699 60.4241 -172.636 GPRESSURE: 4522200 239.625 -89.5327 82.5409 -94.8014 53.3213 77.6 -2.77612 114.619 -102.437 PRESSAVG: 4522200 12.7001 -26.5358 6.29399 -26.5359 1.63329 -28.9255 6.29396 -28.9256 -33.9059 GPRESSAVG: 4522200 11.8296 -25.0426 6.8034 -28.6765 1.27304 -28.5947 7.10914 -30.4895 -32.6234 TIMING: 4522200 CPU: 13583.7, 0.00295828/step Wall: 13583.7, 0.00295828/step, 0.39263 hours remaining, 211.234375 MB of memory in use. ENERGY: 4522200 799.6047 2054.9949 1949.4829 111.8109 -206525.4038 17970.9522 0.0000 0.0000 34277.0648 -149361.4934 299.3501 -183638.5583 -149268.2353 299.1538 31.0356 63.5028 556803.4762 -6.5242 -6.5069 PRESSURE: 4522400 -140.144 240.645 -42.848 240.645 109.697 -94.0598 -42.8486 -94.0592 82.08 GPRESSURE: 4522400 -142.777 242.661 -31.2188 231.297 168.128 -106.019 -30.1729 -52.394 120.517 PRESSAVG: 4522400 9.55281 41.5439 6.9924 41.5438 14.7416 28.7732 6.99251 28.7732 -14.6476 GPRESSAVG: 4522400 10.2218 39.4657 6.10435 41.8142 13.7856 30.5579 7.85244 27.8042 -14.4981 TIMING: 4522400 CPU: 13584.3, 0.00296304/step Wall: 13584.3, 0.00296304/step, 0.393097 hours remaining, 211.234375 MB of memory in use. ENERGY: 4522400 769.1704 2073.1746 1932.6099 121.3385 -206539.3955 18016.6493 0.0000 0.0000 34374.3319 -149252.1207 300.1996 -183626.4527 -149149.5145 299.3798 17.2111 48.6226 556844.3700 3.2156 3.1698 PRESSURE: 4522600 -145.661 38.6474 -130.045 38.6469 -149.993 12.4227 -130.045 12.4224 -16.4029 GPRESSURE: 4522600 -107.992 43.6127 -137.36 2.63409 -98.8031 -25.3465 -187.85 -81.7618 8.01668 PRESSAVG: 4522600 -0.281772 31.0057 -17.484 31.0057 7.94237 -30.7493 -17.4839 -30.7494 -21.0626 GPRESSAVG: 4522600 -0.694281 34.3245 -16.45 31.4656 8.88461 -32.7745 -16.7538 -30.1177 -21.5368 TIMING: 4522600 CPU: 13584.9, 0.00297702/step Wall: 13584.9, 0.00297702/step, 0.394785 hours remaining, 211.234375 MB of memory in use. ENERGY: 4522600 786.7932 2122.7794 1955.6225 113.6688 -206313.7799 17775.4675 0.0000 0.0000 34139.0995 -149420.3490 298.1452 -183559.4485 -149329.0797 299.4021 -104.0190 -66.2594 556191.0576 -4.4673 -4.4488 PRESSURE: 4522800 -89.9999 -185.775 -35.0965 -185.775 -48.3815 30.8732 -35.0984 30.8737 -124.706 GPRESSURE: 4522800 -112.937 -173.243 73.8939 -129.048 -11.5391 64.2704 -52.5525 69.3826 -37.9673 PRESSAVG: 4522800 44.6586 19.2488 -12.6381 19.2488 -36.075 32.8142 -12.6382 32.8144 -13.8472 GPRESSAVG: 4522800 45.5652 19.2916 -13.492 19.7241 -35.5563 33.8441 -14.563 33.1169 -14.6752 TIMING: 4522800 CPU: 13585.5, 0.00296278/step Wall: 13585.5, 0.00296278/step, 0.392734 hours remaining, 211.234375 MB of memory in use. ENERGY: 4522800 797.9963 2091.4110 1935.7386 109.8653 -206250.8019 17729.9959 0.0000 0.0000 34207.4523 -149378.3425 298.7422 -183585.7948 -149280.2987 299.0098 -87.6957 -54.1479 556835.9721 -1.7545 -1.5554 PRESSURE: 4523000 -122.11 -32.3718 -227.29 -32.371 102.445 71.1492 -227.291 71.1484 47.6746 GPRESSURE: 4523000 -67.84 -29.3375 -243.245 -47.9429 70.6686 -30.6825 -179.269 115.034 121.295 PRESSAVG: 4523000 72.3209 -14.9347 -41.5687 -14.9347 -55.5933 10.8024 -41.5687 10.8023 -0.218412 GPRESSAVG: 4523000 71.8967 -16.0751 -42.3148 -15.7135 -56.3466 10.5616 -39.0062 10.3803 0.423386 TIMING: 4523000 CPU: 13586.1, 0.00297177/step Wall: 13586.1, 0.00297177/step, 0.39376 hours remaining, 211.234375 MB of memory in use. ENERGY: 4523000 758.2542 2101.8576 1960.3047 100.5471 -206264.0846 17800.6713 0.0000 0.0000 34121.1471 -149421.3027 297.9885 -183542.4498 -149316.8164 298.3124 9.3366 41.3745 557424.3291 5.5030 5.3245 PRESSURE: 4523200 104.002 -105.206 32.7649 -105.205 24.0483 82.1413 32.7652 82.1415 70.2758 GPRESSURE: 4523200 108.543 -61.9653 -0.355571 -154.636 119.476 11.981 -33.1592 105.542 74.8723 PRESSAVG: 4523200 48.8269 2.78467 -57.5272 2.78456 42.8028 -10.4779 -57.5272 -10.4778 -15.6292 GPRESSAVG: 4523200 47.8305 2.24717 -55.6849 5.41906 43.8192 -8.40427 -59.9561 -10.5363 -15.4924 TIMING: 4523200 CPU: 13586.7, 0.00295543/step Wall: 13586.7, 0.00295543/step, 0.39143 hours remaining, 211.234375 MB of memory in use. ENERGY: 4523200 735.5853 2101.4502 1963.8221 112.5876 -206544.6690 18040.1516 0.0000 0.0000 34027.7544 -149563.3179 297.1728 -183591.0723 -149476.5919 298.1897 66.1086 100.9639 556747.8267 25.3335 25.3858 PRESSURE: 4523400 -65.9326 -36.4013 4.21886 -36.4015 145.67 14.6339 4.21989 14.6336 105.975 GPRESSURE: 4523400 14.6358 20.1447 25.7328 -23.8223 117.819 -11.4023 -78.7305 73.0141 134.799 PRESSAVG: 4523400 75.7153 -7.22471 47.0606 -7.22464 -15.3086 -17.7511 47.0607 -17.7511 -43.6204 GPRESSAVG: 4523400 76.2039 -6.47062 47.0139 -8.35731 -16.491 -19.6765 46.4017 -19.1689 -43.256 TIMING: 4523400 CPU: 13587.3, 0.00299994/step Wall: 13587.3, 0.00299994/step, 0.397159 hours remaining, 211.234375 MB of memory in use. ENERGY: 4523400 735.3165 2063.9199 1971.7707 111.0889 -206615.8371 17919.9661 0.0000 0.0000 34362.8652 -149450.9099 300.0994 -183813.7751 -149355.1858 298.6120 61.9042 89.0843 556748.4596 5.5954 5.4856 PRESSURE: 4523600 -109.014 13.6788 72.3947 13.6796 -31.5312 39.7886 72.3942 39.787 91.935 GPRESSURE: 4523600 -95.3963 37.4653 25.7674 6.62803 23.8202 75.0719 89.4475 55.5309 117.659 PRESSAVG: 4523600 13.3841 4.42842 24.2809 4.42843 4.04056 13.7398 24.281 13.7398 20.5499 GPRESSAVG: 4523600 13.5349 4.28271 23.2718 4.10095 5.39479 12.9614 25.9747 16.9063 19.1392 TIMING: 4523600 CPU: 13587.9, 0.00296805/step Wall: 13587.9, 0.00296805/step, 0.392772 hours remaining, 211.234375 MB of memory in use. ENERGY: 4523600 747.4056 2093.9754 1953.2627 112.6696 -206204.7833 17811.6493 0.0000 0.0000 34265.2817 -149220.5391 299.2472 -183485.8208 -149134.5158 298.9804 -16.2035 15.3610 556625.0156 12.6582 12.6896 PRESSURE: 4523800 -94.3645 20.2891 76.2916 20.2907 -197.817 -67.5953 76.2924 -67.5958 -336.012 GPRESSURE: 4523800 10.4493 60.706 54.8364 12.4368 -199.08 -40.3344 152.059 -132.988 -350.896 PRESSAVG: 4523800 -6.58694 66.6289 57.8684 66.6289 -6.82311 -31.1098 57.8685 -31.1098 9.82075 GPRESSAVG: 4523800 -6.11525 65.8167 58.3249 67.8437 -7.60388 -31.9651 57.6883 -31.0754 10.183 TIMING: 4523800 CPU: 13588.5, 0.00296612/step Wall: 13588.5, 0.00296612/step, 0.392352 hours remaining, 211.234375 MB of memory in use. ENERGY: 4523800 725.5876 2068.6307 1949.1334 124.1456 -206193.9089 17637.1742 0.0000 0.0000 34308.3475 -149380.8898 299.6233 -183689.2374 -149287.3851 299.1936 -209.3977 -179.8424 558918.5663 -1.1964 -1.1787 PRESSURE: 4524000 337.386 101.276 16.9717 101.275 274.016 -202.587 16.9724 -202.587 -41.4149 GPRESSURE: 4524000 341.884 70.3034 63.9736 81.6311 331.978 -191.023 7.7602 -174.126 -23.0395 PRESSAVG: 4524000 -4.60352 37.3265 -6.19228 37.3265 35.2469 10.7123 -6.19212 10.7123 -22.1679 GPRESSAVG: 4524000 -4.18886 38.6374 -5.55346 36.2924 35.818 10.8484 -8.13784 9.79661 -23.0267 TIMING: 4524000 CPU: 13589, 0.00296917/step Wall: 13589, 0.00296917/step, 0.39259 hours remaining, 211.234375 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: 4524000 724.4598 2061.9062 1960.3531 94.1948 -206437.5816 18149.5110 0.0000 0.0000 34113.9639 -149333.1927 297.9257 -183447.1566 -149234.6976 298.8033 189.9956 216.9410 556335.9337 2.8252 2.8675 PRESSURE: 4524200 -154.817 129.836 53.912 129.838 96.4485 -130.271 53.9117 -130.272 -69.8165 GPRESSURE: 4524200 -176.207 130.743 29.3041 101.878 170.524 -78.0419 31.8069 -110.527 -28.7291 PRESSAVG: 4524200 20.8013 24.7547 88.9997 24.7548 53.1424 14.6332 88.9996 14.6332 -71.2559 GPRESSAVG: 4524200 19.9319 23.5972 88.6839 26.4839 52.7781 14.7517 88.4524 15.6329 -70.1483 TIMING: 4524200 CPU: 13589.6, 0.00295255/step Wall: 13589.6, 0.00295255/step, 0.390228 hours remaining, 211.234375 MB of memory in use. ENERGY: 4524200 728.8275 1982.0107 1960.3364 109.3948 -206063.2930 17696.0251 0.0000 0.0000 34258.5761 -149328.1224 299.1887 -183586.6986 -149228.2829 298.9052 -42.7285 -11.4707 557562.7708 0.8959 0.8539 LDB: ============= START OF LOAD BALANCING ============== 13593.1 LDB: ============== END OF LOAD BALANCING =============== 13593.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13593.2 LDB: ============= START OF LOAD BALANCING ============== 13593.5 LDB: Largest compute 4772 load 0.027199 is 23.0% of average load 0.118169 LDB: Average compute 0.001732 is 1.5% of average load 0.118169 LDB: TIME 13593.5 LOAD: AVG 0.118169 MAX 0.211385 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.977 MB LDB: TIME 13593.5 LOAD: AVG 0.118169 MAX 0.211385 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.977 MB LDB: TIME 13593.5 LOAD: AVG 0.118169 MAX 0.211385 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.977 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13593.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13593.5 PRESSURE: 4524400 61.2421 -95.0769 120.293 -95.0769 -21.6507 -1.21134 120.292 -1.21144 -138.671 GPRESSURE: 4524400 129.528 -102.729 124.38 -86.3404 -47.8435 13.3026 50.6855 -82.9459 -77.717 PRESSAVG: 4524400 1.1816 -59.8763 105.125 -59.8764 35.1632 30.4415 105.125 30.4415 -52.5857 GPRESSAVG: 4524400 2.78159 -59.9388 105.725 -59.6548 33.7329 30.4111 108.104 29.7853 -52.4238 TIMING: 4524400 CPU: 13590.2, 0.00303109/step Wall: 13590.2, 0.00303109/step, 0.400441 hours remaining, 209.425781 MB of memory in use. ENERGY: 4524400 718.1476 2025.3512 1965.2884 102.8135 -205868.1886 17625.7674 0.0000 0.0000 34287.6375 -149143.1828 299.4425 -183430.8204 -149041.1444 299.4315 -33.0265 1.3225 557425.9820 -5.4136 -5.3031 PRESSURE: 4524600 -73.7047 -100.215 6.13949 -100.215 194.489 -8.14304 6.14089 -8.14248 135.798 GPRESSURE: 4524600 -18.7834 -100.485 31.143 -122.566 229.213 -21.0289 17.1581 -2.08103 136.922 PRESSAVG: 4524600 4.10985 -2.54748 48.219 -2.54748 -15.7533 0.227266 48.2191 0.227181 2.04344 GPRESSAVG: 4524600 4.78151 -0.170001 46.4993 -5.73339 -15.17 -0.749328 47.2498 0.771432 1.21918 TIMING: 4524600 CPU: 13590.8, 0.00294927/step Wall: 13590.8, 0.00294927/step, 0.389468 hours remaining, 209.425781 MB of memory in use. ENERGY: 4524600 739.7068 2050.5224 1900.0312 118.8922 -205832.7978 17738.1126 0.0000 0.0000 34227.3536 -149058.1789 298.9160 -183285.5325 -148963.5700 299.9053 85.5273 115.7839 557568.7191 -3.2000 -3.0564 PRESSURE: 4524800 -27.667 -104.587 -129.818 -104.588 -11.4757 -163.247 -129.818 -163.247 36.9047 GPRESSURE: 4524800 -67.7589 -66.7974 -189.057 -142.714 76.1414 -126.805 -15.7611 -162.257 77.991 PRESSAVG: 4524800 26.9599 -3.49569 -36.5148 -3.4957 -14.6004 -19.1255 -36.5148 -19.1254 -7.57722 GPRESSAVG: 4524800 25.4117 -5.39667 -36.4569 -1.68825 -13.4785 -17.3551 -35.7921 -19.1516 -7.02788 TIMING: 4524800 CPU: 13591.4, 0.00295725/step Wall: 13591.4, 0.00295725/step, 0.390356 hours remaining, 209.425781 MB of memory in use. ENERGY: 4524800 734.9858 2048.0736 1934.0929 126.7803 -205800.3042 17712.9539 0.0000 0.0000 34128.4089 -149115.0088 298.0519 -183243.4177 -149025.2319 299.4703 -0.7460 28.7911 557781.3697 1.5941 1.6351 PRESSURE: 4525000 -14.222 73.1678 -127.229 73.1671 90.4012 -21.7135 -127.229 -21.7132 177.046 GPRESSURE: 4525000 -10.577 29.5154 -146.155 -13.6586 185.499 -65.3213 -186.991 30.3683 182.471 PRESSAVG: 4525000 17.0946 6.02726 -36.4174 6.02732 4.31519 7.17013 -36.4175 7.17005 -31.7374 GPRESSAVG: 4525000 17.4951 6.06724 -35.546 5.29203 3.82365 4.73687 -36.7302 6.71706 -31.8257 TIMING: 4525000 CPU: 13592, 0.00298813/step Wall: 13592, 0.00298813/step, 0.394267 hours remaining, 209.425781 MB of memory in use. ENERGY: 4525000 738.2121 2099.1148 1933.4421 101.7746 -206049.3648 17912.1974 0.0000 0.0000 34268.0148 -148996.6090 299.2711 -183264.6238 -148899.4557 299.2429 84.4084 119.1310 556274.4874 -3.4426 -3.5023 PRESSURE: 4525200 81.2165 -48.6239 13.3401 -48.6234 167.87 -68.5362 13.3409 -68.5373 112.353 GPRESSURE: 4525200 143.604 -52.6672 -32.5824 -65.2736 224.323 -30.5993 3.91846 50.5187 91.8907 PRESSAVG: 4525200 -37.302 -8.75355 -62.4119 -8.75365 -29.3315 -37.7201 -62.4119 -37.7201 28.0242 GPRESSAVG: 4525200 -37.4828 -11.0853 -59.6162 -8.9352 -28.9002 -36.2743 -65.9691 -35.278 27.3455 TIMING: 4525200 CPU: 13592.6, 0.00296021/step Wall: 13592.6, 0.00296021/step, 0.390418 hours remaining, 209.558594 MB of memory in use. ENERGY: 4525200 706.3437 2058.8643 1929.8135 102.9316 -206312.4363 17962.9474 0.0000 0.0000 34372.1700 -149179.3659 300.1807 -183551.5358 -149077.4372 299.4775 120.4797 153.2725 556320.0404 -12.8698 -13.0125 PRESSURE: 4525400 150.048 -51.0779 -18.5271 -51.0782 133.051 148.888 -18.5273 148.888 49.3618 GPRESSURE: 4525400 261.722 -65.5146 -78.1572 -143.719 101.689 120.55 -0.432701 122.182 64.2367 PRESSAVG: 4525400 5.22551 -2.3258 -57.5852 -2.32584 -43.9528 -43.2422 -57.5852 -43.2422 63.9832 GPRESSAVG: 4525400 5.34885 -0.0341649 -59.3863 -2.02629 -43.6826 -41.258 -56.2084 -45.5274 63.4431 TIMING: 4525400 CPU: 13593.2, 0.00299266/step Wall: 13593.2, 0.00299266/step, 0.394532 hours remaining, 209.558594 MB of memory in use. ENERGY: 4525400 740.8847 2143.9856 1949.0627 129.3804 -206377.2708 18096.7926 0.0000 0.0000 34152.5544 -149164.6104 298.2628 -183317.1648 -149066.0219 299.1395 110.8201 142.5489 558765.3576 8.4186 8.3698 PRESSURE: 4525600 119.802 44.5922 -4.13274 44.5924 -31.9002 -119.556 -4.13271 -119.554 -146.124 GPRESSURE: 4525600 153.243 122.949 -2.24406 83.5697 32.2701 -4.37588 71.656 -194.294 -140.9 PRESSAVG: 4525600 23.82 28.0675 -6.68087 28.0675 48.3426 -29.5007 -6.6809 -29.5007 -26.4839 GPRESSAVG: 4525600 24.3795 27.0256 -7.10802 28.6964 47.5263 -30.3723 -3.3067 -29.8424 -25.8083 TIMING: 4525600 CPU: 13593.8, 0.00297795/step Wall: 13593.8, 0.00297795/step, 0.392428 hours remaining, 209.558594 MB of memory in use. ENERGY: 4525600 772.0348 2067.3864 1951.7053 101.3813 -206143.6461 17892.9023 0.0000 0.0000 34453.1008 -148905.1352 300.8875 -183358.2360 -148809.4642 298.8046 -19.4076 14.8709 559345.7475 15.2263 15.3658 PRESSURE: 4525800 -96.0547 2.24967 -155.879 2.25073 -237.451 -1.28655 -155.877 -1.2881 -125.394 GPRESSURE: 4525800 -43.8496 -76.2096 -204.339 32.0426 -260.793 -4.86551 -168.025 44.1194 -53.4443 PRESSAVG: 4525800 28.7205 64.0864 -21.2505 64.0865 16.943 -8.18855 -21.2505 -8.1886 -29.8506 GPRESSAVG: 4525800 28.2584 63.7533 -22.3343 63.4663 16.5543 -8.37776 -22.2652 -6.74213 -28.8648 TIMING: 4525800 CPU: 13594.4, 0.00298036/step Wall: 13594.4, 0.00298036/step, 0.392579 hours remaining, 209.558594 MB of memory in use. ENERGY: 4525800 789.5817 2045.8006 1935.6052 105.8030 -206020.5515 17738.4509 0.0000 0.0000 34338.6547 -149066.6554 299.8880 -183405.3101 -148971.7478 300.1897 -152.9666 -119.3623 558829.0779 5.2710 5.3160 PRESSURE: 4526000 -17.8586 14.1021 46.3522 14.1028 23.9084 -124.954 46.3509 -124.952 -131.684 GPRESSURE: 4526000 55.1856 105.141 -28.884 -32.8614 4.75562 -112.482 85.1163 -151.897 -81.6569 PRESSAVG: 4526000 27.6912 1.36868 -42.8051 1.36869 10.8856 -18.2387 -42.8051 -18.2386 -49.8638 GPRESSAVG: 4526000 28.1755 3.92673 -41.432 -1.07271 11.4187 -16.7438 -43.788 -20.9551 -50.5286 TIMING: 4526000 CPU: 13595, 0.00298135/step Wall: 13595, 0.00298135/step, 0.392544 hours remaining, 209.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4526000 752.4381 2026.8650 1930.3942 112.0764 -206067.1145 17797.1218 0.0000 0.0000 34378.8064 -149069.4125 300.2387 -183448.2189 -148968.7527 299.8903 -41.8781 -7.2386 557441.0727 -3.7623 -3.6448 PRESSURE: 4526200 146.874 241.935 142.404 241.933 25.0604 41.8556 142.404 41.8565 -19.8153 GPRESSURE: 4526200 129.875 216.471 75.2075 149.62 114.321 74.7671 205.83 19.9628 1.88724 PRESSAVG: 4526200 63.189 -8.66987 21.0294 -8.66992 -27.3408 5.04482 21.0294 5.04485 5.825 GPRESSAVG: 4526200 63.0131 -9.17692 21.0447 -7.33517 -27.8111 5.64476 20.9115 6.83473 6.20186 TIMING: 4526200 CPU: 13595.6, 0.00296583/step Wall: 13595.6, 0.00296583/step, 0.390336 hours remaining, 209.558594 MB of memory in use. ENERGY: 4526200 708.2692 2087.3955 1980.2666 103.7856 -206516.3235 18085.9188 0.0000 0.0000 34439.0908 -149111.5970 300.7651 -183550.6878 -149010.2764 300.0645 50.7065 82.0275 558469.3930 13.8911 13.8013 PRESSURE: 4526400 -95.3885 10.689 103.537 10.6887 -244.461 275.038 103.537 275.038 76.8535 GPRESSURE: 4526400 37.9221 54.9137 47.3728 -107.247 -280.176 168.211 120.554 212.338 74.2091 PRESSAVG: 4526400 40.565 1.50047 83.8552 1.50052 -72.8225 -32.6428 83.8552 -32.6429 -12.6116 GPRESSAVG: 4526400 39.9774 2.39516 83.3463 0.563629 -71.2988 -37.0774 83.767 -30.9514 -13.7207 TIMING: 4526400 CPU: 13596.2, 0.00296707/step Wall: 13596.2, 0.00296707/step, 0.390335 hours remaining, 209.558594 MB of memory in use. ENERGY: 4526400 767.6224 2112.2079 1956.4541 115.3811 -205749.6622 17573.3154 0.0000 0.0000 34121.9121 -149102.7691 297.9951 -183224.6813 -148996.7898 299.9601 -87.6655 -56.0151 557006.9562 -14.9564 -15.0140 PRESSURE: 4526600 -45.3289 -18.1783 75.6886 -18.1791 -94.9121 -58.6271 75.6889 -58.6281 -201.831 GPRESSURE: 4526600 -94.6388 -107.323 80.8584 -73.3563 2.34567 -96.5171 112.692 -72.6303 -172.135 PRESSAVG: 4526600 6.55679 -45.7697 38.4895 -45.7697 3.86966 -41.727 38.4895 -41.727 2.60516 GPRESSAVG: 4526600 6.66465 -48.8379 40.1484 -44.3336 2.83951 -40.3415 38.6156 -40.3841 3.54308 TIMING: 4526600 CPU: 13596.8, 0.00298296/step Wall: 13596.8, 0.00298296/step, 0.392259 hours remaining, 209.558594 MB of memory in use. ENERGY: 4526600 778.1365 2086.3056 1912.8667 111.2718 -205833.5953 17491.7701 0.0000 0.0000 34293.2809 -149159.9636 299.4918 -183453.2445 -149060.6965 299.1420 -114.0240 -88.1426 557460.5053 4.3439 4.3491 PRESSURE: 4526800 178.968 99.6745 -72.8965 99.6726 -10.0285 42.2249 -72.8973 42.224 307.88 GPRESSURE: 4526800 251.782 86.6261 -53.746 82.3906 16.8458 75.1231 -36.7724 6.84115 299.632 PRESSAVG: 4526800 35.3661 -54.6485 -0.539479 -54.6485 27.2174 -0.43661 -0.539522 -0.436584 -5.05858 GPRESSAVG: 4526800 35.0591 -53.3686 -2.14002 -53.9793 27.0684 -0.263746 1.17684 -2.56546 -4.3646 TIMING: 4526800 CPU: 13597.4, 0.00302873/step Wall: 13597.4, 0.00302873/step, 0.398109 hours remaining, 209.558594 MB of memory in use. ENERGY: 4526800 744.9802 2074.0645 1972.9506 108.7226 -206281.3703 17998.9847 0.0000 0.0000 34334.2897 -149047.3780 299.8499 -183381.6676 -148955.4475 299.5296 158.9398 189.4200 556431.4482 19.1750 19.2543 PRESSURE: 4527000 -92.0747 -14.8653 163.786 -14.8668 1.69718 36.6194 163.786 36.6202 185.711 GPRESSURE: 4527000 -33.0436 -17.7808 88.8434 -16.1802 14.5797 -24.5941 216.549 63.4715 216.974 PRESSAVG: 4527000 29.6392 -35.9248 33.4688 -35.9248 -60.1165 -0.839549 33.4688 -0.839597 71.1489 GPRESSAVG: 4527000 28.6624 -37.0795 34.6607 -37.4259 -58.9425 -0.0197556 30.6865 -1.06804 70.8113 TIMING: 4527000 CPU: 13598, 0.00297162/step Wall: 13598, 0.00297162/step, 0.390438 hours remaining, 209.558594 MB of memory in use. ENERGY: 4527000 798.2323 2122.6836 1970.5967 116.5839 -205989.7830 17750.9327 0.0000 0.0000 34089.3721 -149141.3818 297.7110 -183230.7539 -149048.0198 299.4330 31.7779 66.1701 557680.2808 13.5572 13.5104 PRESSURE: 4527200 -21.9668 -50.8924 -82.4083 -50.892 66.7694 37.2965 -82.4082 37.2995 -204.323 GPRESSURE: 4527200 -75.8149 -71.2463 -78.9637 -27.31 111.85 90.5595 -97.4343 62.7297 -103.783 PRESSAVG: 4527200 2.47347 -83.3785 52.8204 -83.3785 2.25971 -84.2057 52.8205 -84.2058 -4.34456 GPRESSAVG: 4527200 3.03486 -81.4071 48.3849 -82.6386 1.06068 -85.6419 55.4859 -82.3371 -3.74234 TIMING: 4527200 CPU: 13598.6, 0.00298869/step Wall: 13598.6, 0.00298869/step, 0.392514 hours remaining, 209.558594 MB of memory in use. ENERGY: 4527200 744.4489 2097.9841 1948.1925 120.0669 -206342.4919 17850.0210 0.0000 0.0000 34372.9831 -149208.7953 300.1878 -183581.7784 -149108.7164 299.4516 -53.1736 -22.5827 558012.9267 0.1295 0.1177 PRESSURE: 4527400 -78.1866 -69.0863 44.6721 -69.0875 -336.233 8.93095 44.6713 8.93043 -212.109 GPRESSURE: 4527400 -34.462 10.3359 -5.01183 -115.429 -315.462 -34.3994 9.15758 141.859 -180.229 PRESSAVG: 4527400 12.9739 -62.9826 -36.5262 -62.9826 -20.4077 -57.3232 -36.5261 -57.3231 -11.2735 GPRESSAVG: 4527400 14.6202 -64.9049 -34.838 -63.7919 -20.1586 -55.6279 -37.3958 -59.2396 -12.979 TIMING: 4527400 CPU: 13599.2, 0.00299473/step Wall: 13599.2, 0.00299473/step, 0.393141 hours remaining, 209.558594 MB of memory in use. ENERGY: 4527400 761.6092 2133.7417 1943.2332 106.3902 -206164.1493 17697.0092 0.0000 0.0000 34347.4798 -149174.6859 299.9651 -183522.1658 -149071.7257 298.8663 -208.8428 -176.7175 558011.9844 -6.2358 -6.1725 PRESSURE: 4527600 -84.0735 -166.959 -139.974 -166.96 136.369 18.5076 -139.973 18.5069 -339.069 GPRESSURE: 4527600 -31.913 -155.91 -133.305 -152.157 151.041 -8.16138 -236.625 55.4445 -302.708 PRESSAVG: 4527600 -38.6828 -52.5138 59.1068 -52.5138 81.3887 33.0108 59.1068 33.0108 -48.6276 GPRESSAVG: 4527600 -39.7648 -51.7266 59.3943 -51.3627 82.6535 30.6011 58.6392 34.4334 -48.7763 TIMING: 4527600 CPU: 13599.8, 0.00297968/step Wall: 13599.8, 0.00297968/step, 0.391 hours remaining, 209.558594 MB of memory in use. ENERGY: 4527600 759.1291 2087.0815 1908.4461 111.1723 -206217.4341 17891.8082 0.0000 0.0000 34327.4473 -149132.3497 299.7901 -183459.7970 -149035.1791 299.3156 -95.5914 -61.1932 558668.9677 -1.9739 -1.9625 PRESSURE: 4527800 185.561 52.1941 -45.9986 52.1931 5.92948 15.6289 -45.9975 15.6302 187.907 GPRESSURE: 4527800 227.111 65.7325 -5.23467 -6.44792 10.3549 45.9967 -31.481 -59.4378 234.844 PRESSAVG: 4527800 66.2307 49.2408 -0.855921 49.2408 37.5923 16.4764 -0.855957 16.4764 -110.646 GPRESSAVG: 4527800 66.1309 46.6673 -1.77114 50.2661 37.566 19.0946 -0.615604 13.8178 -110.065 TIMING: 4527800 CPU: 13600.4, 0.00296736/step Wall: 13600.4, 0.00296736/step, 0.389219 hours remaining, 209.558594 MB of memory in use. ENERGY: 4527800 744.2837 2216.8738 1947.9946 120.0810 -206409.1686 18073.9442 0.0000 0.0000 34297.7450 -149008.2463 299.5307 -183305.9913 -148914.1448 299.4374 126.4659 157.4366 557796.7716 -2.2745 -2.1226 PRESSURE: 4528000 -378.125 241.714 -49.6866 241.714 -31.4272 -163.993 -49.6868 -163.992 -112.922 GPRESSURE: 4528000 -323.544 213.103 1.92614 257.895 -2.06276 -229.843 -34.0373 -152.438 -104.959 PRESSAVG: 4528000 1.24781 67.7762 2.58658 67.7762 97.5753 32.3222 2.58658 32.3223 -62.3833 GPRESSAVG: 4528000 1.52068 69.0653 1.84664 67.459 97.1327 32.0861 2.29576 33.8215 -62.6846 TIMING: 4528000 CPU: 13601, 0.00296619/step Wall: 13601, 0.00296619/step, 0.3889 hours remaining, 209.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4528000 793.2428 2188.6641 1917.3967 97.5768 -205724.3697 17576.8081 0.0000 0.0000 34243.0736 -148907.6076 299.0533 -183150.6812 -148808.3793 300.3638 -174.1581 -143.5220 559040.4685 12.1466 11.9896 PRESSURE: 4528200 -152.312 148.435 -15.7098 148.436 -25.9669 14.9721 -15.7107 14.9729 0.228585 GPRESSURE: 4528200 -143.504 126.909 -34.41 159.295 16.8658 -17.6931 -20.0124 -40.9534 37.7182 PRESSAVG: 4528200 5.32548 1.35256 58.8739 1.35268 33.6586 -23.2981 58.8738 -23.2981 -40.64 GPRESSAVG: 4528200 5.83899 1.86616 60.5049 -1.05352 33.1521 -23.3734 60.3431 -23.0294 -41.015 TIMING: 4528200 CPU: 13601.6, 0.00295952/step Wall: 13601.6, 0.00295952/step, 0.387862 hours remaining, 209.558594 MB of memory in use. ENERGY: 4528200 731.2058 2088.5382 1935.7510 123.1071 -205894.9225 17729.7804 0.0000 0.0000 34138.7829 -149147.7571 298.1425 -183286.5400 -149044.4611 299.1303 -59.3502 -29.6401 558713.6589 -0.5520 -0.6746 LDB: ============= START OF LOAD BALANCING ============== 13605.1 LDB: ============== END OF LOAD BALANCING =============== 13605.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13605.1 LDB: ============= START OF LOAD BALANCING ============== 13605.4 LDB: Largest compute 4772 load 0.028094 is 23.8% of average load 0.118259 LDB: Average compute 0.001729 is 1.5% of average load 0.118259 LDB: TIME 13605.4 LOAD: AVG 0.118259 MAX 0.208331 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.93 MB LDB: TIME 13605.4 LOAD: AVG 0.118259 MAX 0.208331 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.172 MB LDB: TIME 13605.4 LOAD: AVG 0.118259 MAX 0.208331 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.172 MB LDB: ============== END OF LOAD BALANCING =============== 13605.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13605.4 PRESSURE: 4528400 75.2392 -8.28629 -42.1991 -8.28771 176.425 -8.75631 -42.199 -8.75562 140.796 GPRESSURE: 4528400 132.265 69.9211 -95.2694 -57.978 209.426 -39.6482 -8.23655 10.0796 149.427 PRESSAVG: 4528400 4.01367 38.3184 36.6492 38.3184 17.4601 -48.4664 36.6492 -48.4663 -25.7502 GPRESSAVG: 4528400 3.47344 37.9507 35.3157 39.6016 17.8173 -47.7872 37.0407 -49.2232 -26.1265 TIMING: 4528400 CPU: 13602.2, 0.0030237/step Wall: 13602.2, 0.0030237/step, 0.396105 hours remaining, 208.738281 MB of memory in use. ENERGY: 4528400 744.7187 2059.1361 1964.8921 116.4362 -206669.5216 18066.4615 0.0000 0.0000 34421.6831 -149296.1940 300.6131 -183717.8771 -149206.2582 298.3659 130.8200 163.7063 556539.7155 -1.4255 -1.6119 PRESSURE: 4528600 19.7225 114.049 167.529 114.051 75.9175 48.5271 167.53 48.5282 -46.2103 GPRESSURE: 4528600 54.0185 7.75008 183.091 133.329 126.789 56.7368 196.68 59.5128 -36.5806 PRESSAVG: 4528600 20.1256 -23.493 -18.0097 -23.4931 43.0463 -35.8898 -18.0097 -35.8899 -23.701 GPRESSAVG: 4528600 20.3243 -22.269 -15.4378 -24.6735 43.1467 -35.9277 -19.8742 -35.6095 -24.3119 TIMING: 4528600 CPU: 13602.8, 0.00299393/step Wall: 13602.8, 0.00299393/step, 0.392039 hours remaining, 208.941406 MB of memory in use. ENERGY: 4528600 751.1276 2055.1150 1945.7033 123.2794 -206292.0485 17923.2650 0.0000 0.0000 34025.1624 -149468.3960 297.1502 -183493.5584 -149375.1288 299.1924 16.4766 48.0758 556070.6021 13.1569 13.0530 PRESSURE: 4528800 -81.2949 61.7636 -29.5477 61.7641 129.024 -26.9475 -29.5492 -26.9481 104.775 GPRESSURE: 4528800 -49.8973 26.2033 -0.709861 96.502 160.928 -30.4135 -179.178 -42.0247 153.639 PRESSAVG: 4528800 16.0704 -13.0807 -27.6098 -13.0807 49.8992 -7.81735 -27.6097 -7.81743 -50.2811 GPRESSAVG: 4528800 14.8187 -13.1407 -28.3018 -11.1447 49.9359 -7.21128 -29.3336 -6.12279 -49.0466 TIMING: 4528800 CPU: 13603.4, 0.00299541/step Wall: 13603.4, 0.00299541/step, 0.392066 hours remaining, 208.941406 MB of memory in use. ENERGY: 4528800 747.8630 2019.8201 1919.5623 117.4286 -206575.2282 18021.4588 0.0000 0.0000 34218.5269 -149530.5684 298.8389 -183749.0952 -149432.6362 298.0809 50.8349 88.2232 557231.9542 5.2295 5.2360 PRESSURE: 4529000 33.0601 -279.109 -177.173 -279.109 -83.2659 50.8638 -177.174 50.8649 204.462 GPRESSURE: 4529000 101.009 -265.686 6.07833 -277.29 -60.2831 71.9606 -149.4 -36.6468 203.993 PRESSAVG: 4529000 31.8016 21.9389 -63.9271 21.939 -32.6577 31.6827 -63.9271 31.6827 -11.2858 GPRESSAVG: 4529000 32.6168 22.0206 -63.0725 20.4052 -32.4264 31.5743 -61.4033 29.1788 -11.7676 TIMING: 4529000 CPU: 13604, 0.00301711/step Wall: 13604, 0.00301711/step, 0.394738 hours remaining, 208.941406 MB of memory in use. ENERGY: 4529000 695.7909 2063.6375 1951.2281 119.7687 -206704.1234 17949.7920 0.0000 0.0000 34416.2057 -149507.7004 300.5653 -183923.9061 -149411.0877 298.8570 51.4189 81.5729 557757.9613 -4.0473 -3.8591 PRESSURE: 4529200 -93.3084 84.622 -4.25826 84.6221 152.67 -50.2389 -4.25666 -50.2402 238.699 GPRESSURE: 4529200 -67.6946 32.0963 33.6443 100.187 199.983 -39.1266 -37.5202 -81.8815 260.082 PRESSAVG: 4529200 -18.0279 8.28903 0.886405 8.28908 -7.62245 -10.996 0.886262 -10.9961 16.9278 GPRESSAVG: 4529200 -17.6014 7.12431 1.60534 11.0066 -7.75339 -10.7506 -0.162985 -9.95895 16.7681 TIMING: 4529200 CPU: 13604.6, 0.00297543/step Wall: 13604.6, 0.00297543/step, 0.38912 hours remaining, 208.941406 MB of memory in use. ENERGY: 4529200 750.2258 2126.5517 1926.6282 109.7516 -206565.0635 18223.0385 0.0000 0.0000 34140.5653 -149288.3023 298.1580 -183428.8676 -149189.6125 299.0988 99.3538 130.7902 558075.3054 -2.9075 -2.8622 PRESSURE: 4529400 -256.673 32.6457 -31.3847 32.6472 -317.876 -107.891 -31.385 -107.892 -378.227 GPRESSURE: 4529400 -193.701 119.994 -66.1968 -3.82531 -268.749 -99.7083 -55.4146 -76.448 -405.503 PRESSAVG: 4529400 -17.2771 3.00581 -25.413 3.00586 6.66471 -74.9772 -25.4129 -74.9774 38.5622 GPRESSAVG: 4529400 -17.6013 2.14528 -26.715 1.30471 6.84534 -75.7268 -24.5098 -75.0472 38.8526 TIMING: 4529400 CPU: 13605.2, 0.00299392/step Wall: 13605.2, 0.00299392/step, 0.391372 hours remaining, 208.941406 MB of memory in use. ENERGY: 4529400 780.7346 2058.6197 1950.4736 118.0144 -205904.3688 17422.4563 0.0000 0.0000 34271.2013 -149302.8689 299.2989 -183574.0703 -149204.9417 299.3916 -317.5917 -289.3176 558894.6016 9.3166 9.3656 PRESSURE: 4529600 -70.9143 48.4301 144.888 48.4294 426.195 -47.7132 144.888 -47.7118 -44.0178 GPRESSURE: 4529600 -8.8338 10.2472 196.876 95.6789 383.058 -12.4031 101.508 -81.8782 23.8278 PRESSAVG: 4529600 -2.38039 15.0433 32.2479 15.0434 35.1962 -4.54739 32.2479 -4.54736 -31.1587 GPRESSAVG: 4529600 -1.04207 16.6059 33.6302 14.6252 35.0575 -4.30068 32.3338 -4.47945 -32.5439 TIMING: 4529600 CPU: 13605.8, 0.00298788/step Wall: 13605.8, 0.00298788/step, 0.390417 hours remaining, 208.941406 MB of memory in use. ENERGY: 4529600 774.9057 2041.3939 1965.5696 123.2841 -206354.4871 18079.3957 0.0000 0.0000 34149.0564 -149220.8817 298.2322 -183369.9381 -149127.9081 299.4033 103.7544 132.6841 557761.0251 0.5524 0.4905 PRESSURE: 4529800 -107.489 -52.4484 94.5608 -52.4484 -38.3287 -47.4831 94.5619 -47.4819 -112.541 GPRESSURE: 4529800 -75.775 -24.05 67.3093 -69.6732 8.78239 -40.2687 67.1305 -85.316 -89.3712 PRESSAVG: 4529800 43.0696 -13.0605 13.7726 -13.0605 26.7192 7.64873 13.7726 7.64875 -56.1397 GPRESSAVG: 4529800 41.5922 -13.5997 15.3367 -11.6275 27.1862 8.48298 12.4371 7.89207 -55.3884 TIMING: 4529800 CPU: 13606.3, 0.002963/step Wall: 13606.3, 0.002963/step, 0.387001 hours remaining, 208.941406 MB of memory in use. ENERGY: 4529800 765.0222 2096.5554 1968.2129 114.9344 -206281.0968 17844.2950 0.0000 0.0000 34226.2987 -149265.7782 298.9068 -183492.0769 -149172.6290 299.6425 -86.1197 -52.1213 557778.6541 4.5497 4.4634 PRESSURE: 4530000 -15.7666 58.8292 51.3607 58.8304 364.415 16.9845 51.3625 16.9849 -176.299 GPRESSURE: 4530000 52.9294 -23.8029 21.0543 34.6729 358.956 37.9521 44.1742 15.4561 -151.904 PRESSAVG: 4530000 -14.9914 -0.383165 44.6775 -0.383146 3.95189 -4.70078 44.6774 -4.70057 -16.81 GPRESSAVG: 4530000 -13.5675 0.130431 42.2539 -1.12897 2.09018 -8.80535 44.7646 -3.96632 -16.786 TIMING: 4530000 CPU: 13606.9, 0.00295653/step Wall: 13606.9, 0.00295653/step, 0.385991 hours remaining, 208.941406 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: 4530000 752.6522 2072.3282 1947.7459 110.3120 -206502.5903 17859.1103 0.0000 0.0000 34439.5669 -149320.8747 300.7693 -183760.4416 -149223.9245 299.3351 57.4498 86.6606 557370.5961 -9.2832 -9.4211 PRESSURE: 4530200 -19.4842 -79.1015 121.932 -79.1021 175.536 -45.7933 121.932 -45.7923 157.19 GPRESSURE: 4530200 11.6464 -151.816 136.059 -153.354 173.825 -3.53285 162.463 40.5136 241.741 PRESSAVG: 4530200 43.4431 -23.6064 38.0842 -23.6064 4.31274 -0.698033 38.0843 -0.698009 -77.2325 GPRESSAVG: 4530200 44.1324 -26.8578 37.2376 -24.303 3.74467 2.36273 38.4725 -1.11621 -76.66 TIMING: 4530200 CPU: 13607.5, 0.00299265/step Wall: 13607.5, 0.00299265/step, 0.390541 hours remaining, 208.941406 MB of memory in use. ENERGY: 4530200 750.9406 2078.9331 1964.8382 113.1502 -206323.3566 17855.3906 0.0000 0.0000 34168.8778 -149391.2261 298.4053 -183560.1039 -149297.4391 299.6296 104.4142 142.4042 556524.8534 -9.8255 -9.5943 PRESSURE: 4530400 -106.868 199.296 27.8298 199.297 -60.0453 148.798 27.8308 148.797 65.9545 GPRESSURE: 4530400 -60.3535 109.071 13.9627 272.528 -71.1248 97.6459 -56.196 201.085 106.623 PRESSAVG: 4530400 -48.1841 2.64662 12.2909 2.64647 17.3835 30.3355 12.2909 30.3355 59.9499 GPRESSAVG: 4530400 -48.5796 2.90065 13.7946 3.57774 19.4678 28.3963 11.3043 28.8802 58.494 TIMING: 4530400 CPU: 13608.1, 0.00296246/step Wall: 13608.1, 0.00296246/step, 0.386436 hours remaining, 208.941406 MB of memory in use. ENERGY: 4530400 707.5611 2145.4526 1948.5390 109.9726 -205985.0440 17734.5428 0.0000 0.0000 34045.4167 -149293.5591 297.3271 -183338.9758 -149204.2221 298.8954 -33.6528 -8.2851 557470.6664 9.7164 9.7941 PRESSURE: 4530600 -32.516 29.5972 76.0903 29.5978 -213.319 -144.983 76.0906 -144.985 114.753 GPRESSURE: 4530600 27.1503 171.071 8.17383 -42.3748 -182.353 -164.405 121.333 -163.512 131.317 PRESSAVG: 4530600 -50.284 36.8027 13.1206 36.8027 23.6293 13.8628 13.1205 13.8627 37.3608 GPRESSAVG: 4530600 -51.2449 38.31 10.4252 37.1591 23.4733 13.943 14.9137 16.6294 38.3559 TIMING: 4530600 CPU: 13608.7, 0.00299785/step Wall: 13608.7, 0.00299785/step, 0.390886 hours remaining, 208.941406 MB of memory in use. ENERGY: 4530600 750.1666 2083.6900 1962.4366 101.6812 -206008.0364 17759.5627 0.0000 0.0000 34166.6625 -149183.8368 298.3860 -183350.4993 -149087.4590 299.5897 -43.6938 -7.9619 558803.6284 3.5687 3.5281 PRESSURE: 4530800 159.502 36.2937 -93.3784 36.2942 -121.319 143.151 -93.3795 143.152 1.10483 GPRESSURE: 4530800 185.718 11.6479 -49.4776 53.3625 -96.5587 158.106 -98.4279 109.344 46.4742 PRESSAVG: 4530800 -45.2785 22.8671 -15.3096 22.8672 16.7214 29.2411 -15.3096 29.2411 17.0811 GPRESSAVG: 4530800 -45.7367 24.2214 -12.0113 20.8104 15.7363 29.2474 -15.9215 26.5642 18.3414 TIMING: 4530800 CPU: 13609.3, 0.0030035/step Wall: 13609.3, 0.0030035/step, 0.391456 hours remaining, 209.144531 MB of memory in use. ENERGY: 4530800 784.7045 2124.4200 1919.1062 115.7425 -206178.3321 17781.6276 0.0000 0.0000 34396.2083 -149056.5229 300.3906 -183452.7312 -148964.6543 299.0949 13.0960 45.2111 557836.3591 -3.8253 -3.8863 PRESSURE: 4531000 -19.388 -40.1339 -15.7567 -40.1332 -39.9375 -26.8956 -15.7575 -26.8958 19.6026 GPRESSURE: 4531000 26.1871 14.6291 -34.6551 -21.3315 -6.68958 -71.9397 -28.9307 -38.5663 44.0351 PRESSAVG: 4531000 -16.6461 2.96624 1.28918 2.96618 5.63866 -40.8376 1.2891 -40.8376 21.9964 GPRESSAVG: 4531000 -15.8714 1.47076 2.81525 3.08248 6.49996 -39.5129 -0.0285132 -40.0815 20.3423 TIMING: 4531000 CPU: 13609.9, 0.00299996/step Wall: 13609.9, 0.00299996/step, 0.390828 hours remaining, 209.144531 MB of memory in use. ENERGY: 4531000 758.9141 2092.9033 1915.0269 122.8005 -206004.4301 17767.1225 0.0000 0.0000 34382.8269 -148964.8359 300.2738 -183347.6627 -148865.4913 299.6520 -13.2410 21.1775 557517.2263 3.6630 3.6570 PRESSURE: 4531200 -199.385 -100.604 130.857 -100.605 -82.7236 69.488 130.857 69.487 -163.555 GPRESSURE: 4531200 -236.201 -153.601 124.528 -64.8685 -6.96295 126.824 119.583 41.1601 -96.0021 PRESSAVG: 4531200 -46.2282 -0.00342027 -1.21094 -0.00337463 47.2002 -67.6492 -1.21093 -67.6492 14.8646 GPRESSAVG: 4531200 -45.3342 -1.06616 -1.7875 0.50773 46.4113 -68.712 0.403393 -66.3258 15.0467 TIMING: 4531200 CPU: 13610.5, 0.00295291/step Wall: 13610.5, 0.00295291/step, 0.384535 hours remaining, 209.144531 MB of memory in use. ENERGY: 4531200 773.7672 2102.4071 1923.4296 103.5104 -206110.0056 17659.5577 0.0000 0.0000 34260.8258 -149286.5079 299.2083 -183547.3336 -149190.7054 299.0564 -148.5546 -113.0555 557757.2404 5.2789 5.3746 PRESSURE: 4531400 84.4121 20.5874 110.878 20.5865 86.6675 116.463 110.878 116.465 137.61 GPRESSURE: 4531400 144.676 40.4592 126.311 -49.9969 79.2612 136.62 -6.03632 104.375 184.468 PRESSAVG: 4531400 -64.1261 4.53163 -20.7288 4.53164 54.368 24.1979 -20.7288 24.1979 7.73323 GPRESSAVG: 4531400 -63.9558 6.35247 -23.4978 3.71991 53.4195 23.8882 -20.8274 25.7993 8.44572 TIMING: 4531400 CPU: 13611.1, 0.00296877/step Wall: 13611.1, 0.00296877/step, 0.386435 hours remaining, 209.144531 MB of memory in use. ENERGY: 4531400 758.0118 2074.0370 1950.5397 107.9044 -206153.1759 17948.7424 0.0000 0.0000 34004.1023 -149309.8384 296.9663 -183313.9407 -149211.2237 298.8655 102.8966 136.1350 556674.8552 -0.6750 -0.6969 PRESSURE: 4531600 -200.4 -15.2351 15.007 -15.2351 123.115 -2.44816 15.0082 -2.44698 221.458 GPRESSURE: 4531600 -144.487 -36.7571 -21.9672 -2.06459 158.848 -50.4181 -29.4858 -7.86181 215.381 PRESSAVG: 4531600 -1.9596 -1.65257 17.11 -1.65259 4.856 3.05759 17.1101 3.05762 -6.02799 GPRESSAVG: 4531600 -2.08954 -4.14814 16.7274 0.966511 5.85407 4.66642 19.0102 0.00655129 -6.48016 TIMING: 4531600 CPU: 13611.7, 0.0029707/step Wall: 13611.7, 0.0029707/step, 0.386521 hours remaining, 209.144531 MB of memory in use. ENERGY: 4531600 706.6698 2137.9636 1950.5260 116.2046 -206308.8739 17926.6213 0.0000 0.0000 34084.2914 -149386.5973 297.6666 -183470.8887 -149291.8820 298.7406 48.0577 76.5807 557539.6993 -1.0439 -0.9052 PRESSURE: 4531800 -84.48 -34.7052 46.7672 -34.7049 115.906 66.2824 46.7665 66.2828 80.3228 GPRESSURE: 4531800 -57.8154 15.9707 82.0073 -79.9525 136.67 110.227 -18.4548 50.8471 126.197 PRESSAVG: 4531800 -19.9743 -11.0278 29.4919 -11.0278 40.7847 -53.1417 29.4917 -53.1417 -10.4156 GPRESSAVG: 4531800 -20.1376 -8.99627 33.8478 -13.3839 41.074 -52.6519 26.7587 -54.0571 -10.3161 TIMING: 4531800 CPU: 13612.3, 0.00298122/step Wall: 13612.3, 0.00298122/step, 0.387724 hours remaining, 209.144531 MB of memory in use. ENERGY: 4531800 746.6518 2062.8109 1952.2967 105.7662 -206685.1023 18105.2889 0.0000 0.0000 34192.6414 -149519.6464 298.6128 -183712.2878 -149423.2482 298.7812 37.2495 68.3506 558290.8932 3.4650 3.5401 PRESSURE: 4532000 -45.5924 11.2554 175.945 11.2546 73.9626 83.8084 175.945 83.8075 15.1199 GPRESSURE: 4532000 -52.907 10.504 176.484 40.2902 103.913 44.8823 187.497 126.306 85.0536 PRESSAVG: 4532000 11.5826 -67.9847 -12.8348 -67.9847 -13.232 -21.6424 -12.8348 -21.6424 2.75784 GPRESSAVG: 4532000 11.7663 -69.7255 -15.5267 -66.5951 -13.3103 -23.737 -12.3293 -19.6666 3.19173 TIMING: 4532000 CPU: 13612.9, 0.00298734/step Wall: 13612.9, 0.00298734/step, 0.388354 hours remaining, 209.144531 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: 4532000 739.4450 2135.1507 1945.2816 115.1376 -206439.4877 17902.3733 0.0000 0.0000 34358.3222 -149243.7774 300.0598 -183602.0996 -149148.2637 298.3357 14.4967 45.3531 557413.1436 0.3695 0.5492 PRESSURE: 4532200 59.2958 139.542 -13.9558 139.542 -41.8811 -142.44 -13.9551 -142.441 -31.1166 GPRESSURE: 4532200 94.2489 97.6876 -44.9369 109.988 -17.0086 -197.333 8.2541 -109.08 3.10881 PRESSAVG: 4532200 22.8174 51.1482 10.1112 51.1482 66.5689 14.3713 10.1112 14.3712 -28.024 GPRESSAVG: 4532200 23.0576 51.5878 10.8451 50.8784 66.0998 16.1096 9.34059 13.7817 -27.6838 TIMING: 4532200 CPU: 13613.5, 0.0030134/step Wall: 13613.5, 0.0030134/step, 0.391575 hours remaining, 209.144531 MB of memory in use. ENERGY: 4532200 764.6890 2078.3182 1924.4715 110.6851 -206167.3454 17659.2213 0.0000 0.0000 34295.4188 -149334.5415 299.5104 -183629.9603 -149233.5151 299.9068 -4.5673 26.7830 557658.6116 20.4541 20.4912 LDB: ============= START OF LOAD BALANCING ============== 13617 LDB: ============== END OF LOAD BALANCING =============== 13617 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13617 LDB: ============= START OF LOAD BALANCING ============== 13617.3 LDB: Largest compute 4773 load 0.026890 is 22.7% of average load 0.118262 LDB: Average compute 0.001728 is 1.5% of average load 0.118262 LDB: TIME 13617.3 LOAD: AVG 0.118262 MAX 0.208728 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.75 MB LDB: TIME 13617.3 LOAD: AVG 0.118262 MAX 0.208728 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.812 MB LDB: TIME 13617.3 LOAD: AVG 0.118262 MAX 0.208728 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.812 MB LDB: ============== END OF LOAD BALANCING =============== 13617.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13617.3 PRESSURE: 4532400 -160.16 53.377 114.75 53.3764 -47.6129 -11.4451 114.751 -11.446 -2.12083 GPRESSURE: 4532400 -152.599 39.6299 95.9092 7.92606 -60.7446 -23.7317 101.382 9.46662 79.63 PRESSAVG: 4532400 -1.97766 -39.9809 -42.1207 -39.981 -8.97365 -28.7094 -42.1207 -28.7093 57.8262 GPRESSAVG: 4532400 -2.91664 -40.1538 -42.4923 -39.1429 -9.56823 -27.7401 -40.9391 -30.0362 59.1249 TIMING: 4532400 CPU: 13614.1, 0.00304956/step Wall: 13614.1, 0.00304956/step, 0.396104 hours remaining, 210.007812 MB of memory in use. ENERGY: 4532400 750.4472 2068.9592 1957.2528 103.2959 -205778.2007 17551.8325 0.0000 0.0000 34141.8256 -149204.5875 298.1691 -183346.4131 -149107.9066 299.5492 -69.9646 -44.5713 558654.4441 15.6250 15.5467 PRESSURE: 4532600 -63.9133 -3.9671 137.779 -3.96747 14.9471 -127.363 137.78 -127.362 -175.932 GPRESSURE: 4532600 -39.8709 -33.9334 92.1555 -62.1198 10.668 -148.726 224.71 -118.886 -105.348 PRESSAVG: 4532600 -44.1371 -38.5659 -9.99604 -38.566 2.51147 -12.6436 -9.9959 -12.6437 1.65504 GPRESSAVG: 4532600 -42.9982 -39.1182 -10.3895 -40.6493 1.86103 -12.5127 -7.0467 -11.5356 0.945934 TIMING: 4532600 CPU: 13614.7, 0.00295993/step Wall: 13614.7, 0.00295993/step, 0.384297 hours remaining, 210.335938 MB of memory in use. ENERGY: 4532600 744.1880 2159.9755 1937.3911 119.2420 -206007.6822 17581.0248 0.0000 0.0000 34345.8924 -149119.9683 299.9512 -183465.8607 -149028.8345 300.0420 -74.9660 -44.8503 558158.5373 -13.3235 -13.3971 PRESSURE: 4532800 -0.738274 23.7038 5.31869 23.705 114.346 -3.91982 5.31761 -3.92166 102.008 GPRESSURE: 4532800 33.4641 -5.14266 -25.8081 -35.5111 136.628 -36.7215 26.566 4.76604 147.116 PRESSAVG: 4532800 -46.4969 -17.3044 5.49217 -17.3045 61.8827 11.9824 5.49212 11.9823 -18.4749 GPRESSAVG: 4532800 -47.6368 -14.837 4.70259 -16.5199 63.951 10.8686 2.7423 10.4549 -19.1409 TIMING: 4532800 CPU: 13615.3, 0.00296767/step Wall: 13615.3, 0.00296767/step, 0.385138 hours remaining, 210.335938 MB of memory in use. ENERGY: 4532800 752.8455 2119.1715 1936.4618 112.2366 -206474.8170 17971.6376 0.0000 0.0000 34419.5857 -149162.8783 300.5948 -183582.4640 -149071.3887 300.2083 71.8721 105.7359 556252.9875 -1.0297 -0.9422 PRESSURE: 4533000 95.1059 -24.8419 -9.90361 -24.8402 -12.1432 -52.5026 -9.90386 -52.5025 14.4209 GPRESSURE: 4533000 137.049 -126.883 -4.0914 -29.152 38.6627 -89.1182 -24.8049 -44.0696 22.8632 PRESSAVG: 4533000 -17.7567 -26.3466 26.2452 -26.3466 -13.1546 -56.7339 26.2452 -56.7338 34.3306 GPRESSAVG: 4533000 -17.5033 -29.0851 26.0257 -26.8741 -13.6362 -55.8721 25.6532 -56.1 34.613 TIMING: 4533000 CPU: 13615.9, 0.00297046/step Wall: 13615.9, 0.00297046/step, 0.385335 hours remaining, 210.335938 MB of memory in use. ENERGY: 4533000 745.4999 2066.7874 1929.8692 121.1842 -205811.8333 17812.0316 0.0000 0.0000 34045.7481 -149090.7128 297.3300 -183136.4609 -148997.1096 299.6403 32.4612 66.1917 558770.2389 1.1397 1.1578 PRESSURE: 4533200 -301.196 -76.0473 -96.2707 -76.0479 -85.9926 72.3567 -96.2716 72.358 -181.786 GPRESSURE: 4533200 -246.234 -57.6732 -65.8633 -63.2711 -50.3325 27.6438 -195.944 86.8409 -170.065 PRESSAVG: 4533200 -12.3812 2.45907 -47.5372 2.45899 0.817078 -24.9942 -47.5373 -24.9942 9.75691 GPRESSAVG: 4533200 -13.64 3.51663 -46.2342 3.24789 0.949282 -25.76 -46.135 -25.5691 10.9191 TIMING: 4533200 CPU: 13616.5, 0.00297453/step Wall: 13616.5, 0.00297453/step, 0.385697 hours remaining, 210.335938 MB of memory in use. ENERGY: 4533200 787.7754 2091.7273 1943.6871 97.1318 -205944.4755 17708.7650 0.0000 0.0000 34153.9044 -149161.4846 298.2745 -183315.3889 -149065.7071 299.8492 -189.6581 -155.5440 559392.7961 -0.6024 -0.5906 PRESSURE: 4533400 258.749 -69.9846 75.9049 -69.9852 -219.777 -171.888 75.9056 -171.888 -289.088 GPRESSURE: 4533400 269.99 -58.3218 8.84585 -64.0886 -187.847 -108.285 74.7657 -230.034 -241.582 PRESSAVG: 4533400 26.968 -56.8564 -12.4217 -56.8564 -45.0339 -36.6976 -12.4218 -36.6975 39.4938 GPRESSAVG: 4533400 27.9521 -56.0081 -11.1401 -56.4616 -45.2468 -37.0585 -12.9379 -36.9913 38.5259 TIMING: 4533400 CPU: 13617.1, 0.00296535/step Wall: 13617.1, 0.00296535/step, 0.384342 hours remaining, 210.335938 MB of memory in use. ENERGY: 4533400 764.8090 2109.7916 1945.2006 117.7861 -205834.2618 17646.3438 0.0000 0.0000 34236.2809 -149014.0499 298.9940 -183250.3308 -148919.8833 299.7554 -83.3718 -53.1464 558423.5545 7.1426 7.0770 PRESSURE: 4533600 0.0987541 56.2519 150.133 56.2514 27.8735 -103.388 150.133 -103.389 -174.067 GPRESSURE: 4533600 32.4513 51.2256 125.488 38.891 87.1579 -134.027 239.144 -36.641 -167.048 PRESSAVG: 4533600 32.6494 35.4057 23.7769 35.4057 -22.8959 -43.8308 23.7769 -43.8307 0.450455 GPRESSAVG: 4533600 32.3411 34.3966 22.2429 34.1547 -22.0057 -43.3344 24.4026 -44.8175 0.185481 TIMING: 4533600 CPU: 13617.7, 0.00295058/step Wall: 13617.7, 0.00295058/step, 0.382264 hours remaining, 210.335938 MB of memory in use. ENERGY: 4533600 757.2078 2135.5262 1934.7843 111.3543 -206126.7576 17749.4225 0.0000 0.0000 34561.0990 -148877.3635 301.8307 -183438.4625 -148772.1998 300.0562 -48.6982 -15.8129 558421.2903 3.4013 3.5070 PRESSURE: 4533800 -41.7739 -80.8154 47.9089 -80.8165 91.1535 -94.4383 47.9097 -94.4376 98.464 GPRESSURE: 4533800 39.2758 94.0835 -14.363 -167.93 71.0588 -83.5977 43.606 -133.229 130.414 PRESSAVG: 4533800 -6.29185 57.5953 21.6279 57.5953 -43.5487 -15.3539 21.6279 -15.3539 73.0769 GPRESSAVG: 4533800 -6.75265 58.1671 21.1052 58.4476 -42.5965 -15.3147 21.3515 -13.5189 72.5917 TIMING: 4533800 CPU: 13618.3, 0.00298191/step Wall: 13618.3, 0.00298191/step, 0.386157 hours remaining, 210.335938 MB of memory in use. ENERGY: 4533800 768.9565 2083.2052 1968.7336 117.9210 -206121.9627 17864.6657 0.0000 0.0000 34440.1482 -148878.3326 300.7744 -183318.4808 -148788.2893 300.2205 49.2812 80.2494 557488.5699 7.7455 7.7475 PRESSURE: 4534000 -101.015 84.7444 -90.6813 84.7443 23.1513 47.7767 -90.6821 47.7749 -131.923 GPRESSURE: 4534000 -69.5928 61.9059 -15.4669 98.825 19.9216 72.0725 -107.99 87.851 -58.0687 PRESSAVG: 4534000 2.07507 42.6919 32.5719 42.6917 16.6899 15.2475 32.5719 15.2475 -0.308397 GPRESSAVG: 4534000 2.42522 41.9066 33.5262 43.8418 15.0152 13.6834 30.4007 13.7944 1.24752 TIMING: 4534000 CPU: 13618.9, 0.00296102/step Wall: 13618.9, 0.00296102/step, 0.383288 hours remaining, 210.335938 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: 4534000 755.5927 2092.3230 1940.8988 117.3875 -206003.8180 17817.4780 0.0000 0.0000 34368.5576 -148911.5802 300.1492 -183280.1378 -148822.0884 300.7711 -69.9288 -35.9133 558701.5032 6.1522 6.2293 PRESSURE: 4534200 95.4801 -90.4637 -13.8313 -90.4631 -172.601 34.4225 -13.8313 34.4225 42.6009 GPRESSURE: 4534200 150.005 -96.8181 -28.4794 -129.022 -107.166 42.1534 60.7116 7.54372 22.6355 PRESSAVG: 4534200 -53.106 -15.3467 12.9045 -15.3466 -32.181 -13.4326 12.9044 -13.4326 48.4922 GPRESSAVG: 4534200 -52.9365 -14.0719 14.0831 -17.2634 -32.2793 -12.2275 13.9836 -12.499 48.6014 TIMING: 4534200 CPU: 13619.4, 0.00294434/step Wall: 13619.4, 0.00294434/step, 0.380965 hours remaining, 210.335938 MB of memory in use. ENERGY: 4534200 746.6302 2107.1033 1937.1277 117.5284 -206131.3192 17880.8230 0.0000 0.0000 34437.3250 -148904.7816 300.7497 -183342.1066 -148815.8061 300.7177 -11.5068 21.8248 558449.1950 -12.2649 -12.2048 PRESSURE: 4534400 -37.4552 -21.6566 -169.112 -21.6561 -88.3689 -31.5224 -169.112 -31.522 -74.7418 GPRESSURE: 4534400 -28.3945 14.5957 -138.596 -115.672 -58.2213 -6.85505 -160.719 -15.8089 -0.932858 PRESSAVG: 4534400 6.00517 34.9293 -12.6709 34.9292 -54.553 -2.31903 -12.6708 -2.31912 49.2508 GPRESSAVG: 4534400 5.95836 35.2394 -16.082 34.9496 -54.1059 -3.44973 -12.6354 -0.180056 48.3792 TIMING: 4534400 CPU: 13620, 0.00295649/step Wall: 13620, 0.00295649/step, 0.382372 hours remaining, 210.335938 MB of memory in use. ENERGY: 4534400 782.0320 2108.8470 1927.5955 115.7218 -206166.5524 17828.4096 0.0000 0.0000 34361.9327 -149042.0139 300.0913 -183403.9465 -148950.1527 300.3404 -66.8553 -29.1829 557584.2090 0.2343 0.0772 PRESSURE: 4534600 225.955 26.5018 -82.0192 26.5014 202.811 -81.8047 -82.0187 -81.8039 308.229 GPRESSURE: 4534600 243.049 -23.75 -103.378 94.8402 316.75 -48.1828 -116.233 -49.7939 272.437 PRESSAVG: 4534600 -31.3586 -57.5269 7.45783 -57.5269 -26.145 -5.3082 7.45778 -5.30828 54.3059 GPRESSAVG: 4534600 -31.8454 -56.8208 8.91393 -56.9779 -25.431 -4.12202 7.07839 -8.18142 54.0354 TIMING: 4534600 CPU: 13620.6, 0.00298034/step Wall: 13620.6, 0.00298034/step, 0.385292 hours remaining, 210.335938 MB of memory in use. ENERGY: 4534600 730.4852 2134.1391 1944.6382 120.6618 -206464.2956 18098.2274 0.0000 0.0000 34377.7571 -149058.3867 300.2295 -183436.1439 -148958.6632 299.8664 245.6648 277.4119 556302.6869 -1.0659 -1.0803 PRESSURE: 4534800 -147.979 0.369511 28.5837 0.370212 -231.972 88.5202 28.5819 88.5191 57.6838 GPRESSURE: 4534800 -91.2012 -3.31602 130.74 57.3901 -182.425 152.889 -6.94288 76.1263 48.6188 PRESSAVG: 4534800 58.5038 42.7752 26.7904 42.7751 -21.4006 21.2971 26.7905 21.2971 16.9766 GPRESSAVG: 4534800 59.3406 40.9625 26.913 43.9894 -22.9491 19.3924 26.4895 24.1407 17.041 TIMING: 4534800 CPU: 13621.2, 0.00298307/step Wall: 13621.2, 0.00298307/step, 0.385478 hours remaining, 210.335938 MB of memory in use. ENERGY: 4534800 746.8586 2086.1842 1941.3219 109.2303 -205868.4470 17643.0737 0.0000 0.0000 34235.0010 -149106.7774 298.9828 -183341.7784 -149011.7356 300.2178 -107.4227 -75.0026 557042.9307 18.0266 17.8108 PRESSURE: 4535000 57.6238 20.3162 -97.1785 20.3161 107.849 -172.838 -97.1784 -172.838 -149.281 GPRESSURE: 4535000 86.79 -29.0716 -96.7819 94.9904 143.832 -106.442 -69.4101 -169.369 -118.346 PRESSAVG: 4535000 -13.5522 -1.60879 7.70057 -1.60885 -3.94025 13.032 7.70062 13.032 -19.8744 GPRESSAVG: 4535000 -13.4617 -0.697445 9.08035 -2.34612 -3.86244 14.0818 9.12235 12.6981 -19.8812 TIMING: 4535000 CPU: 13621.8, 0.00297274/step Wall: 13621.8, 0.00297274/step, 0.383979 hours remaining, 210.335938 MB of memory in use. ENERGY: 4535000 742.7667 2081.3736 1960.6536 113.2206 -206428.2224 17878.1678 0.0000 0.0000 34490.3593 -149161.6808 301.2129 -183652.0401 -149059.1640 299.9637 5.3974 37.4254 557028.0514 -12.4556 -12.4018 PRESSURE: 4535200 -88.7474 -81.2541 -21.2017 -81.2557 -105.579 -135.396 -21.2033 -135.398 5.47542 GPRESSURE: 4535200 -112.355 -124.337 -14.5298 -32.0682 -7.16739 -57.0839 28.8535 -99.1911 19.0389 PRESSAVG: 4535200 45.4172 3.26711 -23.9851 3.2671 30.3968 9.50068 -23.9851 9.50072 -54.6661 GPRESSAVG: 4535200 45.0467 3.82563 -25.0884 2.85095 31.0721 10.4516 -24.2752 9.16916 -54.8501 TIMING: 4535200 CPU: 13622.4, 0.00296927/step Wall: 13622.4, 0.00296927/step, 0.383365 hours remaining, 210.335938 MB of memory in use. ENERGY: 4535200 744.2515 2126.9858 1973.6029 103.6588 -206086.3764 17625.3598 0.0000 0.0000 34175.4130 -149337.1045 298.4624 -183512.5176 -149248.2239 300.0992 -62.9502 -33.4944 556070.8833 7.0493 7.0896 PRESSURE: 4535400 60.1242 0.292083 105.222 0.292032 2.39182 31.3678 105.222 31.3694 157.593 GPRESSURE: 4535400 55.3166 -64.9665 119.087 47.8061 -18.4653 35.9868 28.2929 38.9088 277.686 PRESSAVG: 4535400 55.8765 -12.2428 20.7906 -12.2428 -16.3898 -14.3258 20.7906 -14.3257 -35.8023 GPRESSAVG: 4535400 55.371 -13.6227 19.5059 -11.2471 -16.9878 -13.8035 20.1555 -14.633 -34.3498 TIMING: 4535400 CPU: 13623, 0.00298365/step Wall: 13623, 0.00298365/step, 0.385056 hours remaining, 210.335938 MB of memory in use. ENERGY: 4535400 725.6440 2064.1694 1927.0704 105.2370 -206238.6371 17923.4478 0.0000 0.0000 34181.4141 -149311.6545 298.5148 -183493.0685 -149214.3662 298.8072 73.3696 104.8458 557372.8441 1.2282 1.3445 PRESSURE: 4535600 -367.054 -52.0034 -28.4032 -52.0038 21.146 191.899 -28.4042 191.901 -307.692 GPRESSURE: 4535600 -324.787 -38.4496 2.79626 16.9055 65.9343 227.219 -71.9994 143.791 -293.588 PRESSAVG: 4535600 39.1532 24.9264 -13.0096 24.9264 -5.36608 58.6711 -13.0096 58.6712 13.7733 GPRESSAVG: 4535600 40.184 25.8533 -12.4255 25.1255 -4.48253 59.229 -11.3537 59.3341 11.6668 TIMING: 4535600 CPU: 13623.6, 0.00296342/step Wall: 13623.6, 0.00296342/step, 0.382281 hours remaining, 210.335938 MB of memory in use. ENERGY: 4535600 729.8613 2130.8896 1957.0782 124.6061 -206206.2626 17509.7769 0.0000 0.0000 34266.9997 -149487.0508 299.2622 -183754.0505 -149385.9712 299.2059 -217.8664 -184.1472 556646.8544 15.8535 15.7894 PRESSURE: 4535800 18.07 115.219 -7.0818 115.218 -184.055 133.918 -7.08172 133.919 -127.73 GPRESSURE: 4535800 35.6745 68.3812 -7.41453 141.553 -168.899 129.566 -94.1682 132.5 -79.834 PRESSAVG: 4535800 -18.2574 -24.1573 -21.7707 -24.1574 -11.7928 44.5098 -21.7708 44.5098 3.83532 GPRESSAVG: 4535800 -18.5208 -24.7186 -21.6477 -23.7191 -12.8064 43.2646 -22.2983 42.4421 4.80104 TIMING: 4535800 CPU: 13624.2, 0.00296522/step Wall: 13624.2, 0.00296522/step, 0.382349 hours remaining, 210.335938 MB of memory in use. ENERGY: 4535800 753.9466 2165.4703 1947.5885 94.5295 -206428.1972 17690.1497 0.0000 0.0000 34299.5697 -149476.9429 299.5467 -183776.5127 -149384.8797 299.0295 -97.9050 -71.0194 557068.3572 -8.7383 -8.8420 PRESSURE: 4536000 167.721 -41.565 10.4988 -41.5651 58.1184 3.89917 10.4986 3.90081 -137.645 GPRESSURE: 4536000 224.12 2.90768 -87.1937 15.8349 34.5034 22.1249 30.0999 8.16278 -56.3134 PRESSAVG: 4536000 -6.79094 -36.7667 -42.9395 -36.7668 -8.46974 19.0723 -42.9396 19.0723 -8.02654 GPRESSAVG: 4536000 -5.87606 -36.4903 -41.8578 -35.2199 -8.63133 18.6308 -44.7807 18.5099 -8.38137 TIMING: 4536000 CPU: 13624.8, 0.00296296/step Wall: 13624.8, 0.00296296/step, 0.381893 hours remaining, 210.335938 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: 4536000 714.2775 2111.0913 1990.8138 105.2032 -206755.7481 18000.3198 0.0000 0.0000 34273.6886 -149560.3539 299.3206 -183834.0424 -149461.1079 298.9396 29.3982 67.4367 556643.1935 -7.7624 -7.6296 PRESSURE: 4536200 274.531 66.4663 148.057 66.4656 71.184 148.822 148.058 148.823 -120.301 GPRESSURE: 4536200 245.777 70.1465 67.3388 91.7919 133.059 97.6075 187.882 259.599 -56.437 PRESSAVG: 4536200 47.3768 -14.449 -32.4497 -14.449 -26.8556 -4.75654 -32.4495 -4.75665 19.2852 GPRESSAVG: 4536200 46.6713 -15.6324 -32.4554 -16.242 -27.0493 -4.15872 -29.9185 -3.77133 20.0107 TIMING: 4536200 CPU: 13625.4, 0.0029527/step Wall: 13625.4, 0.0029527/step, 0.380406 hours remaining, 210.335938 MB of memory in use. ENERGY: 4536200 704.9534 2066.2299 1973.6540 119.5185 -206616.1888 17856.0634 0.0000 0.0000 34226.0712 -149669.6984 298.9048 -183895.7696 -149565.3210 298.9743 75.1380 107.4664 555712.2961 13.2688 13.2109 LDB: ============= START OF LOAD BALANCING ============== 13628.9 LDB: ============== END OF LOAD BALANCING =============== 13628.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13628.9 LDB: ============= START OF LOAD BALANCING ============== 13629.2 LDB: Largest compute 4772 load 0.027443 is 23.2% of average load 0.118231 LDB: Average compute 0.001728 is 1.5% of average load 0.118231 LDB: TIME 13629.2 LOAD: AVG 0.118231 MAX 0.208271 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.816 MB LDB: TIME 13629.2 LOAD: AVG 0.118231 MAX 0.208271 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.02 MB LDB: TIME 13629.2 LOAD: AVG 0.118231 MAX 0.208271 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.02 MB LDB: ============== END OF LOAD BALANCING =============== 13629.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13629.2 PRESSURE: 4536400 -90.6313 -60.4652 12.2856 -60.4657 -288.314 18.815 12.2852 18.8159 -116.708 GPRESSURE: 4536400 -75.2423 -108.237 52.0852 -76.877 -273.473 -18.7127 -12.1205 83.2668 -52.5696 PRESSAVG: 4536400 16.0218 7.01531 2.34675 7.01527 15.1242 15.83 2.34679 15.8298 -23.9623 GPRESSAVG: 4536400 14.8093 7.50334 2.18229 6.56393 16.4552 15.428 2.9636 16.5651 -24.1761 TIMING: 4536400 CPU: 13626, 0.00300459/step Wall: 13626, 0.00300459/step, 0.386925 hours remaining, 209.031250 MB of memory in use. ENERGY: 4536400 738.5128 2104.9386 1957.6224 107.1644 -206511.2801 17562.5533 0.0000 0.0000 34230.2186 -149810.2701 298.9410 -184040.4886 -149710.3295 297.8793 -165.2177 -133.7617 556615.4318 2.3946 2.3628 PRESSURE: 4536600 62.2397 133.261 69.1019 133.261 -208.913 34.3462 69.1018 34.3479 -68.1788 GPRESSURE: 4536600 67.3722 67.058 59.0774 87.6916 -141.381 35.2426 34.4529 74.1788 -45.5762 PRESSAVG: 4536600 99.3315 -29.0641 34.4756 -29.0642 -87.8375 45.9442 34.4757 45.9443 -25.6649 GPRESSAVG: 4536600 100.694 -27.2097 32.7117 -29.3944 -89.1117 46.9968 35.3398 46.0057 -25.5989 TIMING: 4536600 CPU: 13626.6, 0.00296632/step Wall: 13626.6, 0.00296632/step, 0.381832 hours remaining, 209.535156 MB of memory in use. ENERGY: 4536600 773.5401 2106.5571 1943.7064 102.3319 -206922.3806 17956.2992 0.0000 0.0000 34282.9896 -149756.9562 299.4019 -184039.9459 -149668.5412 298.0753 -71.6174 -39.8616 556106.2001 -4.7236 -4.6723 PRESSURE: 4536800 -200.521 53.107 -92.7335 53.1073 -348.825 87.2806 -92.7324 87.2813 -390.255 GPRESSURE: 4536800 -214.912 -41.8673 -108.916 3.6059 -298.056 123.112 -83.4888 103.507 -333.952 PRESSAVG: 4536800 22.6961 -26.4894 -23.0407 -26.4894 -7.49549 10.5553 -23.0406 10.5554 -17.8352 GPRESSAVG: 4536800 23.8979 -28.9702 -21.8243 -25.2669 -7.15292 10.2889 -23.7994 10.9532 -19.0595 TIMING: 4536800 CPU: 13627.2, 0.00293927/step Wall: 13627.2, 0.00293927/step, 0.378187 hours remaining, 209.535156 MB of memory in use. ENERGY: 4536800 772.0779 2106.7350 1908.5425 107.7927 -206058.6092 17367.6172 0.0000 0.0000 34022.3050 -149773.5389 297.1253 -183795.8439 -149674.2748 298.2475 -313.2002 -282.3066 557388.4589 -0.8782 -0.7715 PRESSURE: 4537000 -35.0171 121.429 25.2336 121.429 92.9419 -29.2124 25.2329 -29.2108 -173.671 GPRESSURE: 4537000 -27.3846 100.702 13.2575 49.6336 89.795 -15.0794 16.7015 -50.3296 -77.1756 PRESSAVG: 4537000 51.8245 -15.9884 -83.6438 -15.9884 1.7984 10.2302 -83.6438 10.2301 -76.6589 GPRESSAVG: 4537000 50.7336 -15.1742 -83.9227 -14.3159 0.0886807 11.5351 -83.1569 9.32931 -73.869 TIMING: 4537000 CPU: 13627.8, 0.00293641/step Wall: 13627.8, 0.00293641/step, 0.377655 hours remaining, 209.535156 MB of memory in use. ENERGY: 4537000 739.3253 2105.9741 1944.6403 116.9947 -206576.0896 17816.8909 0.0000 0.0000 34153.5147 -149698.7496 298.2711 -183852.2643 -149605.7577 297.8575 -38.5822 -4.9217 557087.5704 -7.6787 -7.6822 PRESSURE: 4537200 -333.485 -21.1489 37.9972 -21.1488 -36.4965 71.9861 37.9976 71.9866 -225.569 GPRESSURE: 4537200 -286.115 16.4428 28.0162 -29.6355 12.8452 129.93 17.3828 101.207 -219.173 PRESSAVG: 4537200 -15.8698 38.3884 -69.8859 38.3883 0.480849 20.2545 -69.8859 20.2546 -17.3729 GPRESSAVG: 4537200 -16.3322 38.5216 -71.5792 38.2196 0.905839 18.0864 -68.2668 19.6395 -16.8874 TIMING: 4537200 CPU: 13628.3, 0.00296433/step Wall: 13628.3, 0.00296433/step, 0.381081 hours remaining, 209.535156 MB of memory in use. ENERGY: 4537200 743.7979 2104.0930 1931.8973 112.8069 -206084.1352 17433.3475 0.0000 0.0000 34208.2336 -149549.9590 298.7490 -183758.1925 -149451.9040 298.5974 -198.5170 -164.1476 557290.9317 -10.9206 -10.7712 PRESSURE: 4537400 -104.727 76.0226 14.7867 76.0218 210.906 -57.2562 14.7865 -57.2548 -127.598 GPRESSURE: 4537400 -50.5953 16.4242 -2.44348 103.746 216.456 -27.1582 -2.34173 -5.01308 -96.6958 PRESSAVG: 4537400 -60.3595 33.6009 -2.0325 33.6008 34.7346 -30.26 -2.03251 -30.2602 -26.3464 GPRESSAVG: 4537400 -60.0086 34.5507 0.446273 32.4102 35.2006 -28.0613 -4.01515 -29.8078 -27.3939 TIMING: 4537400 CPU: 13628.9, 0.00298271/step Wall: 13628.9, 0.00298271/step, 0.383279 hours remaining, 209.535156 MB of memory in use. ENERGY: 4537400 691.9423 2057.9674 1940.2651 122.0733 -206461.6987 17982.6559 0.0000 0.0000 34089.8950 -149576.8997 297.7155 -183666.7947 -149480.5740 298.6954 -7.1395 23.0551 557551.2190 -17.3238 -17.4006 PRESSURE: 4537600 268.179 300.233 -26.1908 300.232 102.988 134.298 -26.19 134.298 -297.623 GPRESSURE: 4537600 231.82 373.355 20.5834 300.35 129.85 150.481 77.1651 114.265 -188.839 PRESSAVG: 4537600 -32.074 75.656 21.7308 75.6562 37.3286 -53.2565 21.7307 -53.2565 -38.2509 GPRESSAVG: 4537600 -32.2992 73.5262 19.7674 74.6142 36.7252 -54.7865 22.1426 -52.2122 -37.8818 TIMING: 4537600 CPU: 13629.5, 0.00300387/step Wall: 13629.5, 0.00300387/step, 0.38583 hours remaining, 209.535156 MB of memory in use. ENERGY: 4537600 704.1275 2041.2131 1928.5309 125.8959 -206741.2863 18068.8623 0.0000 0.0000 34117.0204 -149755.6363 297.9524 -183872.6566 -149660.7887 298.1168 24.5145 57.6103 559274.3316 -10.9988 -11.1519 PRESSURE: 4537800 -79.5142 -63.48 234.58 -63.4795 -216.499 -7.29877 234.58 -7.29787 -92.1244 GPRESSURE: 4537800 -34.8842 -44.6122 214.104 -73.7378 -168.818 115.871 197.976 -20.9942 -92.0749 PRESSAVG: 4537800 44.9809 28.3163 16.2761 28.3162 9.42096 -43.6827 16.2761 -43.6826 -70.5177 GPRESSAVG: 4537800 44.8178 28.3661 17.7294 29.9493 8.86721 -43.3212 14.1269 -45.106 -69.9198 TIMING: 4537800 CPU: 13630.1, 0.00299139/step Wall: 13630.1, 0.00299139/step, 0.384061 hours remaining, 209.535156 MB of memory in use. ENERGY: 4537800 759.2247 2016.4097 1951.6223 104.6477 -206654.7500 17997.6855 0.0000 0.0000 34215.3996 -149609.7605 298.8116 -183825.1601 -149515.6254 298.1637 -129.3791 -98.5923 558266.3025 -5.3719 -5.4116 PRESSURE: 4538000 -114.861 117.4 30.9994 117.399 -198.209 -14.1414 31.0001 -14.1418 -429.687 GPRESSURE: 4538000 -110.594 138.547 55.5657 82.6089 -121.584 -71.291 59.5581 99.0801 -423.858 PRESSAVG: 4538000 76.4302 21.6588 28.254 21.6588 -61.0526 -33.6016 28.254 -33.6016 -48.9742 GPRESSAVG: 4538000 75.7915 21.4225 28.2315 20.9011 -60.1657 -34.1086 28.8478 -31.2027 -49.8641 TIMING: 4538000 CPU: 13630.7, 0.00299923/step Wall: 13630.7, 0.00299923/step, 0.384901 hours remaining, 209.535156 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: 4538000 738.6894 1993.5748 1964.3256 123.5322 -206007.4422 17422.3753 0.0000 0.0000 34199.2112 -149565.7338 298.6702 -183764.9450 -149470.0982 298.6431 -247.5855 -218.6786 559638.9395 -11.1989 -11.4128 PRESSURE: 4538200 75.8268 126.164 -42.7008 126.164 93.9512 -171.689 -42.7019 -171.689 -290.544 GPRESSURE: 4538200 85.9947 89.8082 -27.1292 110.19 141.329 -178.423 -35.093 -117.919 -258.85 PRESSAVG: 4538200 9.66499 57.8183 36.0515 57.8184 -12.6589 19.0013 36.0514 19.0013 -13.9093 GPRESSAVG: 4538200 10.6972 58.5296 35.9084 57.2285 -13.1662 18.8115 37.0663 18.7233 -15.0232 TIMING: 4538200 CPU: 13631.3, 0.00299795/step Wall: 13631.3, 0.00299795/step, 0.384571 hours remaining, 209.535156 MB of memory in use. ENERGY: 4538200 746.3378 2073.6398 1947.5260 121.7610 -206205.9436 17838.3528 0.0000 0.0000 33961.9393 -149516.3868 296.5981 -183478.3260 -149422.2753 298.8676 -40.2555 -10.5086 559430.4750 -5.6344 -5.8308 PRESSURE: 4538400 -103.813 -154.408 -20.7409 -154.409 95.5084 29.872 -20.7404 29.8723 -169.196 GPRESSURE: 4538400 -56.3451 -166.466 -95.5341 -188.67 91.7906 95.0887 -63.7511 -33.4649 -124.012 PRESSAVG: 4538400 -7.3267 11.6489 5.52762 11.649 26.584 16.8519 5.52757 16.8518 -11.6461 GPRESSAVG: 4538400 -9.13914 10.6746 5.74024 11.9609 26.8276 17.0357 3.92602 17.9117 -9.54273 TIMING: 4538400 CPU: 13631.9, 0.00298802/step Wall: 13631.9, 0.00298802/step, 0.38313 hours remaining, 209.535156 MB of memory in use. ENERGY: 4538400 727.0417 2107.2193 1960.4621 122.6984 -206509.0979 17877.3250 0.0000 0.0000 34175.7370 -149538.6144 298.4652 -183714.3514 -149445.9955 298.1769 -59.1667 -29.5222 557229.5765 2.5371 2.7152 PRESSURE: 4538600 -232.328 44.955 -162.896 44.9545 -292.006 5.91809 -162.896 5.91668 -155.351 GPRESSURE: 4538600 -205.367 32.261 -158.684 36.6499 -265.385 -20.6892 -191.849 24.6707 -116.377 PRESSAVG: 4538600 -35.6673 -14.9487 2.92513 -14.9486 32.1699 -2.81747 2.92513 -2.81745 -4.17581 GPRESSAVG: 4538600 -34.1417 -12.9244 2.53588 -16.1247 31.612 -2.46984 4.95505 -4.31306 -4.79203 TIMING: 4538600 CPU: 13632.5, 0.00296741/step Wall: 13632.5, 0.00296741/step, 0.380323 hours remaining, 209.535156 MB of memory in use. ENERGY: 4538600 759.2382 2106.4013 1963.8073 119.1359 -205708.3773 17349.0930 0.0000 0.0000 34149.2630 -149261.4385 298.2340 -183410.7016 -149160.7618 299.1711 -226.5619 -195.7098 557788.2425 -2.5577 -2.4406 PRESSURE: 4538800 -65.2877 98.5733 -27.6931 98.5734 57.2059 -273.956 -27.6945 -273.956 -38.4896 GPRESSURE: 4538800 -42.1366 52.6702 2.65056 67.4667 25.5619 -221.947 -23.238 -290.532 62.2443 PRESSAVG: 4538800 -3.73846 12.9531 -55.9401 12.9531 29.4343 -7.31538 -55.9402 -7.31529 -29.4224 GPRESSAVG: 4538800 -5.08983 11.6131 -53.8177 12.5734 30.3689 -8.3285 -56.2315 -5.7669 -29.4782 TIMING: 4538800 CPU: 13633.1, 0.0029601/step Wall: 13633.1, 0.0029601/step, 0.379222 hours remaining, 209.601562 MB of memory in use. ENERGY: 4538800 707.7892 2124.9696 1948.1102 130.4118 -206315.7704 17837.6441 0.0000 0.0000 34100.1880 -149466.6575 297.8054 -183566.8455 -149374.8846 298.7863 -15.5238 15.2232 556275.7501 -1.2422 -1.3997 PRESSURE: 4539000 173.928 -60.5672 -134.503 -60.5674 333.458 206.617 -134.503 206.616 245.601 GPRESSURE: 4539000 223.225 -157.706 -132.601 -53.7182 349.803 153.151 -138.772 266.813 286.592 PRESSAVG: 4539000 -59.8322 5.61524 -84.7639 5.61532 44.4787 36.2496 -84.7638 36.2495 -7.11594 GPRESSAVG: 4539000 -58.485 5.44669 -85.4193 4.74665 43.349 36.4614 -85.3145 35.0573 -6.98212 TIMING: 4539000 CPU: 13633.7, 0.00296616/step Wall: 13633.7, 0.00296616/step, 0.379833 hours remaining, 209.601562 MB of memory in use. ENERGY: 4539000 730.0731 2116.7759 1927.3924 117.7559 -206865.9504 18276.4979 0.0000 0.0000 34347.3441 -149350.1112 299.9639 -183697.4553 -149253.7064 298.8271 250.9957 286.5402 555960.1652 -7.4898 -7.3727 PRESSURE: 4539200 -125.179 -36.8299 -8.09748 -36.8296 96.6971 108.039 -8.0969 108.04 107.096 GPRESSURE: 4539200 -115.744 -23.8367 59.5667 -38.6004 143.032 54.7397 -92.0151 131.143 155.318 PRESSAVG: 4539200 -0.238118 -5.83035 -12.1597 -5.83028 -30.8462 9.22391 -12.1597 9.22397 29.1481 GPRESSAVG: 4539200 -2.13846 -6.01809 -11.1318 -2.63225 -29.909 10.7385 -12.563 7.67928 30.082 TIMING: 4539200 CPU: 13634.3, 0.00295496/step Wall: 13634.3, 0.00295496/step, 0.378234 hours remaining, 209.601562 MB of memory in use. ENERGY: 4539200 764.3857 2105.3579 1929.5020 118.5486 -206272.6490 17892.5022 0.0000 0.0000 34204.6262 -149257.7265 298.7175 -183462.3527 -149157.6904 299.2199 26.2045 60.8685 555710.9226 -0.6454 -0.6551 PRESSURE: 4539400 -452.194 -52.9736 -8.68849 -52.9719 -190.041 1.57021 -8.6888 1.57003 -283.4 GPRESSURE: 4539400 -441.948 -68.8474 -68.2369 -102.395 -146.578 -5.94951 54.4069 -5.76934 -236.828 PRESSAVG: 4539400 -2.77735 6.40513 35.4982 6.40506 31.2366 -12.729 35.4981 -12.7292 -53.337 GPRESSAVG: 4539400 -0.347299 6.78182 34.0444 5.6831 31.5279 -14.7097 35.1701 -12.0454 -56.2377 TIMING: 4539400 CPU: 13634.9, 0.00294856/step Wall: 13634.9, 0.00294856/step, 0.377252 hours remaining, 209.601562 MB of memory in use. ENERGY: 4539400 797.1354 2107.7473 1950.3914 120.2299 -205548.4807 17414.6585 0.0000 0.0000 34021.3375 -149136.9807 297.1168 -183158.3182 -149041.3997 299.7257 -308.5450 -275.1179 558846.4481 -8.2926 -8.3524 PRESSURE: 4539600 -202.346 -101.153 -51.9558 -101.154 -151.23 49.4411 -51.9565 49.4423 48.6516 GPRESSURE: 4539600 -138.467 -151.2 -47.0215 -155.042 -128.465 88.6748 -42.5061 3.56568 65.2463 PRESSAVG: 4539600 -70.1167 -44.4852 28.5993 -44.4852 36.4416 9.47811 28.5993 9.4782 33.0081 GPRESSAVG: 4539600 -71.5078 -46.6044 30.039 -43.5313 37.5859 9.48034 29.9577 8.84259 33.7008 TIMING: 4539600 CPU: 13635.5, 0.00294723/step Wall: 13635.5, 0.00294723/step, 0.376918 hours remaining, 209.601562 MB of memory in use. ENERGY: 4539600 761.7743 2096.3880 1964.1902 108.6364 -206511.9195 17777.0475 0.0000 0.0000 34499.5327 -149304.3506 301.2930 -183803.8832 -149211.3108 299.4602 -101.6415 -67.2287 556805.4391 -0.2223 -0.0737 PRESSURE: 4539800 30.5042 34.9838 -58.8673 34.9842 -274.518 -40.9772 -58.8664 -40.9781 -262.546 GPRESSURE: 4539800 79.017 -3.55657 9.03768 143.433 -180.276 -130.327 -33.0692 32.8428 -306.228 PRESSAVG: 4539800 39.3948 -9.19733 -2.15405 -9.19731 -52.2434 1.10782 -2.15403 1.10777 -16.1952 GPRESSAVG: 4539800 41.0422 -8.26028 -1.74046 -9.93028 -53.2152 0.136552 -1.40924 3.20795 -16.7776 TIMING: 4539800 CPU: 13636.1, 0.00294925/step Wall: 13636.1, 0.00294925/step, 0.377013 hours remaining, 209.601562 MB of memory in use. ENERGY: 4539800 756.8907 2125.8409 1919.4322 125.2931 -206659.5810 17862.1893 0.0000 0.0000 34325.7122 -149544.2225 299.7750 -183869.9347 -149449.2626 299.1713 -168.8533 -135.8288 558431.2801 -9.6813 -9.6502 PRESSURE: 4540000 53.9891 -35.2304 -65.7469 -35.2301 -201.832 129.916 -65.748 129.918 243.522 GPRESSURE: 4540000 91.256 -0.989124 -82.5622 -48.9157 -176.488 108.902 -78.051 121.61 271.543 PRESSAVG: 4540000 -20.4196 -6.37533 -34.9633 -6.37536 -71.9291 21.3438 -34.9634 21.3439 75.7262 GPRESSAVG: 4540000 -22.3951 -5.61835 -35.4077 -6.43795 -72.0448 21.1862 -36.0743 20.7266 76.6712 TIMING: 4540000 CPU: 13636.7, 0.00297759/step Wall: 13636.7, 0.00297759/step, 0.380469 hours remaining, 209.601562 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: 4540000 723.1588 2121.3109 1944.3884 120.5835 -206391.3744 17800.9026 0.0000 0.0000 34146.5309 -149534.4993 298.2101 -183681.0303 -149437.4700 298.2929 31.8929 62.1039 558050.1432 -5.5409 -5.9229 PRESSURE: 4540200 -126.798 -108.722 51.6432 -108.722 41.2736 -33.4318 51.6425 -33.4324 -271.766 GPRESSURE: 4540200 -67.045 -28.2698 124.266 -160.536 16.3531 14.2607 63.2965 -77.3788 -204.086 PRESSAVG: 4540200 19.4735 -13.1499 -46.6189 -13.15 -18.9602 36.7192 -46.6189 36.7191 44.6543 GPRESSAVG: 4540200 19.9471 -11.1104 -47.4976 -13.8626 -19.4292 38.3179 -46.2215 37.4778 44.4385 TIMING: 4540200 CPU: 13637.3, 0.00297768/step Wall: 13637.3, 0.00297768/step, 0.380316 hours remaining, 209.601562 MB of memory in use. ENERGY: 4540200 708.4838 2077.7661 1932.9574 110.3833 -206296.7561 17659.0085 0.0000 0.0000 34116.6366 -149691.5203 297.9491 -183808.1569 -149600.5719 298.2482 -119.0967 -84.9260 557326.7980 15.0559 14.9854 LDB: ============= START OF LOAD BALANCING ============== 13640.8 LDB: ============== END OF LOAD BALANCING =============== 13640.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13640.8 LDB: ============= START OF LOAD BALANCING ============== 13641.1 LDB: Largest compute 4772 load 0.028029 is 23.7% of average load 0.118177 LDB: Average compute 0.001734 is 1.5% of average load 0.118177 LDB: TIME 13641.1 LOAD: AVG 0.118177 MAX 0.209782 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.223 MB LDB: TIME 13641.1 LOAD: AVG 0.118177 MAX 0.209782 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.426 MB LDB: TIME 13641.1 LOAD: AVG 0.118177 MAX 0.209782 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.426 MB LDB: ============== END OF LOAD BALANCING =============== 13641.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13641.1 PRESSURE: 4540400 -51.7041 100.755 17.0468 100.754 -46.3745 137.874 17.0462 137.875 64.0292 GPRESSURE: 4540400 -2.94365 19.4699 52.2546 223.167 -8.01921 75.6503 -67.0541 201.712 80.8401 PRESSAVG: 4540400 31.1229 17.2854 -7.08138 17.2854 -50.3915 -4.52452 -7.08133 -4.52462 47.6916 GPRESSAVG: 4540400 31.1594 13.6164 -4.54754 18.9383 -50.4006 -5.9174 -8.06465 -4.96536 48.0057 TIMING: 4540400 CPU: 13637.9, 0.0030561/step Wall: 13637.9, 0.0030561/step, 0.390163 hours remaining, 209.746094 MB of memory in use. ENERGY: 4540400 730.3521 2090.9745 1940.9661 104.4876 -206323.2624 17683.3064 0.0000 0.0000 34061.4220 -149711.7537 297.4669 -183773.1757 -149621.0495 298.2573 -11.3498 23.2924 555783.2648 9.4743 9.5882 PRESSURE: 4540600 120.548 17.8729 -42.1235 17.8722 -40.0554 105.92 -42.1237 105.92 66.5282 GPRESSURE: 4540600 144.033 51.3344 -1.20038 78.179 20.0995 72.2125 -123.812 174.613 75.0211 PRESSAVG: 4540600 9.0934 -14.6879 1.10953 -14.688 -18.4855 2.87446 1.10951 2.87441 37.5575 GPRESSAVG: 4540600 8.03167 -15.0252 -0.500847 -15.9198 -17.0417 4.29297 1.8968 2.15548 37.2815 TIMING: 4540600 CPU: 13638.5, 0.00298213/step Wall: 13638.5, 0.00298213/step, 0.380553 hours remaining, 209.816406 MB of memory in use. ENERGY: 4540600 762.0176 2085.3812 1950.2684 115.3232 -206369.2592 17907.3195 0.0000 0.0000 33908.1001 -149640.8491 296.1279 -183548.9492 -149557.1246 297.7699 49.0068 79.7178 556046.1136 9.3885 9.4238 PRESSURE: 4540800 233.555 0.475639 29.2212 0.476094 387.696 -249.35 29.2212 -249.35 -114.192 GPRESSURE: 4540800 249.971 -94.9732 -10.125 72.3545 461.971 -189.316 39.6014 -250.141 -87.6122 PRESSAVG: 4540800 43.6145 -36.3198 -23.8571 -36.3199 -42.4538 -44.4203 -23.8571 -44.4203 -10.2675 GPRESSAVG: 4540800 44.5488 -34.6139 -25.3925 -36.7379 -42.9961 -43.9756 -24.4503 -44.7438 -10.9414 TIMING: 4540800 CPU: 13639.1, 0.00297903/step Wall: 13639.1, 0.00297903/step, 0.379992 hours remaining, 209.816406 MB of memory in use. ENERGY: 4540800 752.0124 2041.0907 1963.6138 106.1498 -206881.9431 18132.8409 0.0000 0.0000 34093.9263 -149792.3093 297.7507 -183886.2356 -149700.9947 297.7375 169.0196 208.1098 556482.0490 -3.0356 -3.1296 PRESSURE: 4541000 174.054 128.744 -20.2185 128.745 -92.2611 60.6339 -20.2177 60.6325 23.9095 GPRESSURE: 4541000 171.507 94.3407 -14.8197 73.2701 -14.2087 34.4421 -68.3914 23.9465 34.4806 PRESSAVG: 4541000 48.0432 -47.1812 5.80537 -47.1812 32.5929 -33.2702 5.80538 -33.2702 -51.761 GPRESSAVG: 4541000 47.855 -48.6523 8.03374 -46.289 31.859 -34.9951 5.53082 -32.7923 -50.4717 TIMING: 4541000 CPU: 13639.7, 0.00295553/step Wall: 13639.7, 0.00295553/step, 0.37683 hours remaining, 209.816406 MB of memory in use. ENERGY: 4541000 736.6419 2089.2112 1959.3657 116.9997 -206737.5636 17930.9784 0.0000 0.0000 34197.5939 -149706.7728 298.6561 -183904.3667 -149614.1308 297.8395 35.2341 63.9263 556878.8271 9.6250 9.7474 PRESSURE: 4541200 151.403 -53.6783 -0.772987 -53.6791 -231.795 63.6218 -0.772636 63.6216 -28.6905 GPRESSURE: 4541200 121.806 -97.1097 27.7152 5.5326 -142.418 213.28 -20.8824 44.5205 7.23036 PRESSAVG: 4541200 -12.7927 -18.6204 -16.1019 -18.6205 -48.1401 -17.8611 -16.1018 -17.8611 62.6985 GPRESSAVG: 4541200 -12.9087 -17.2649 -17.0311 -18.5238 -46.2424 -19.2972 -14.8792 -16.5335 61.674 TIMING: 4541200 CPU: 13640.3, 0.00295421/step Wall: 13640.3, 0.00295421/step, 0.376498 hours remaining, 210.019531 MB of memory in use. ENERGY: 4541200 718.2926 2114.2972 1957.6865 110.4187 -206805.7902 17996.9525 0.0000 0.0000 34068.3381 -149839.8047 297.5273 -183908.1428 -149745.0953 298.4432 -36.3609 -4.4605 557785.8198 0.5886 0.8410 PRESSURE: 4541400 -148.647 105.647 7.58728 105.647 16.5595 103.101 7.58713 103.1 250.872 GPRESSURE: 4541400 -78.1984 30.4643 -138.737 104.085 31.5235 57.8775 13.3597 120.577 262.349 PRESSAVG: 4541400 15.0693 -10.4764 15.314 -10.4764 -21.9183 27.0571 15.314 27.0571 21.0794 GPRESSAVG: 4541400 16.1161 -11.1032 14.8953 -10.6888 -23.2095 25.8365 14.485 26.7784 21.5163 TIMING: 4541400 CPU: 13640.9, 0.00300583/step Wall: 13640.9, 0.00300583/step, 0.38291 hours remaining, 210.019531 MB of memory in use. ENERGY: 4541400 712.5519 2048.5473 1941.7373 106.6399 -206452.7391 17823.4018 0.0000 0.0000 34041.1832 -149778.6777 297.2901 -183819.8609 -149678.3753 297.3680 39.5950 71.8913 557490.4267 4.7435 4.8077 PRESSURE: 4541600 17.4661 109.405 -206.194 109.406 97.1305 88.0477 -206.194 88.0462 167.517 GPRESSURE: 4541600 79.7177 64.0749 -199.309 12.4561 79.6925 132.484 -199.189 115.293 214.231 PRESSAVG: 4541600 -28.6426 25.3034 -40.7059 25.3035 -50.6286 76.7639 -40.7059 76.7639 19.3243 GPRESSAVG: 4541600 -30.4948 25.8733 -41.8707 26.137 -49.4261 80.6575 -38.474 74.4214 20.6381 TIMING: 4541600 CPU: 13641.5, 0.00300121/step Wall: 13641.5, 0.00300121/step, 0.382154 hours remaining, 210.019531 MB of memory in use. ENERGY: 4541600 726.2925 2096.3004 1938.0346 105.6490 -206518.7843 18127.5946 0.0000 0.0000 33912.0690 -149612.8441 296.1625 -183524.9131 -149521.1998 297.2300 94.0380 124.5471 557167.5132 -19.9823 -19.7609 PRESSURE: 4541800 123.022 79.9428 -129.035 79.9416 123.789 158.654 -129.037 158.653 -96.6316 GPRESSURE: 4541800 150.287 156.745 -152.537 54.776 148.839 159.714 -114.063 157.233 -34.4338 PRESSAVG: 4541800 -40.6863 -13.7812 29.8449 -13.7811 48.5679 78.8847 29.8449 78.8847 31.6583 GPRESSAVG: 4541800 -40.5535 -13.0603 31.237 -14.5097 48.4093 76.8191 29.3146 82.4027 31.779 TIMING: 4541800 CPU: 13642.1, 0.00300398/step Wall: 13642.1, 0.00300398/step, 0.38234 hours remaining, 210.222656 MB of memory in use. ENERGY: 4541800 717.0834 2082.1346 1933.7933 112.0384 -206109.8887 17707.8824 0.0000 0.0000 33951.8144 -149605.1422 296.5096 -183556.9567 -149511.4537 297.7637 50.0597 88.2310 554447.8713 13.1800 13.2116 PRESSURE: 4542000 -9.46233 108.238 -7.47991 108.237 57.9516 16.8094 -7.47883 16.809 72.1734 GPRESSURE: 4542000 24.3438 181.689 35.1254 17.6634 57.7248 73.985 -1.46775 -57.3865 135.161 PRESSAVG: 4542000 -28.8313 -23.4709 -23.7239 -23.471 66.0911 -21.8461 -23.7239 -21.8461 -14.3739 GPRESSAVG: 4542000 -27.7867 -25.0631 -25.488 -23.2313 66.2624 -22.6024 -24.5736 -23.5233 -15.3587 TIMING: 4542000 CPU: 13642.7, 0.00296443/step Wall: 13642.7, 0.00296443/step, 0.377142 hours remaining, 210.222656 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: 4542000 742.2872 2032.7010 1917.3840 114.2963 -206349.0306 17812.2262 0.0000 0.0000 34320.5819 -149409.5539 299.7302 -183730.1358 -149321.3901 298.3910 40.2209 72.4100 555230.8095 7.6287 7.7057 PRESSURE: 4542200 -195.302 -112.897 -135.942 -112.896 -53.1475 -46.7869 -135.944 -46.7865 -156.121 GPRESSURE: 4542200 -171.497 -26.7318 -190.225 -59.9561 -34.4763 65.5808 -35.2779 -27.3241 -99.3637 PRESSAVG: 4542200 -15.2484 31.5674 -28.541 31.5674 17.7128 36.6487 -28.541 36.6486 6.88776 GPRESSAVG: 4542200 -17.7421 32.5781 -26.2174 33.1228 18.2359 38.4545 -28.9302 36.3666 7.94876 TIMING: 4542200 CPU: 13643.2, 0.00296443/step Wall: 13643.2, 0.00296443/step, 0.376977 hours remaining, 210.222656 MB of memory in use. ENERGY: 4542200 770.8558 2103.5499 1952.0884 102.4781 -205880.1316 17504.1740 0.0000 0.0000 34173.1355 -149273.8499 298.4425 -183446.9854 -149171.8653 299.1426 -134.8569 -101.7789 556340.1848 3.1174 2.8142 PRESSURE: 4542400 107.449 4.32553 24.6042 4.32399 40.7912 82.7087 24.6048 82.7093 3.83717 GPRESSURE: 4542400 168.753 4.56054 123.233 -3.21303 122.815 70.193 -19.1351 103.432 -30.0331 PRESSAVG: 4542400 -9.13108 30.0443 -14.4047 30.0442 -45.8951 60.4927 -14.4046 60.4928 16.122 GPRESSAVG: 4542400 -7.44061 31.2012 -15.2547 29.0739 -46.8955 59.0996 -14.4917 61.365 15.285 TIMING: 4542400 CPU: 13643.8, 0.00295013/step Wall: 13643.8, 0.00295013/step, 0.374994 hours remaining, 210.222656 MB of memory in use. ENERGY: 4542400 741.1594 2088.9242 1939.7634 109.5801 -206556.9885 17911.8262 0.0000 0.0000 34385.3018 -149380.4332 300.2954 -183765.7351 -149280.1790 298.9308 50.6924 87.1782 555674.5502 -12.9681 -13.0170 PRESSURE: 4542600 -320.207 -20.847 83.604 -20.847 67.8737 -99.1842 83.6034 -99.1838 39.9289 GPRESSURE: 4542600 -246.002 -32.1227 165.201 -75.6882 88.904 -81.7717 56.4327 -169.254 53.0875 PRESSAVG: 4542600 -26.2603 -17.5472 -3.26042 -17.5472 2.73056 62.7531 -3.2605 62.7531 56.7347 GPRESSAVG: 4542600 -25.9828 -19.0236 -0.773243 -17.8652 2.69093 62.5884 -3.48002 63.8782 56.7959 TIMING: 4542600 CPU: 13644.4, 0.00295628/step Wall: 13644.4, 0.00295628/step, 0.375612 hours remaining, 210.222656 MB of memory in use. ENERGY: 4542600 773.7620 2083.7898 1943.8600 117.4653 -205983.7030 17722.6210 0.0000 0.0000 34038.3178 -149303.8869 297.2651 -183342.2048 -149207.2214 299.0493 -70.8013 -34.6702 556345.5802 11.0683 11.1680 PRESSURE: 4542800 -108.139 -79.4554 -155.151 -79.4546 139.921 -174.716 -155.152 -174.717 40.3148 GPRESSURE: 4542800 -48.7858 -46.2978 -149.004 -25.1516 121.775 -229.146 -189.331 -69.9264 102.163 PRESSAVG: 4542800 24.8312 50.0504 23.9099 50.0505 -26.0674 -16.6705 23.9097 -16.6705 -1.78116 GPRESSAVG: 4542800 25.5084 51.2279 20.7018 49.6662 -27.0128 -16.1177 26.7974 -18.2476 -1.59399 TIMING: 4542800 CPU: 13645, 0.00297621/step Wall: 13645, 0.00297621/step, 0.377979 hours remaining, 210.222656 MB of memory in use. ENERGY: 4542800 729.5345 2053.0903 1952.7050 128.3289 -206127.9689 17833.4938 0.0000 0.0000 34023.6648 -149407.1516 297.1371 -183430.8164 -149313.2167 298.7123 24.0320 58.3841 556810.9668 -1.0058 -1.0328 PRESSURE: 4543000 -188.821 150.674 -60.8005 150.673 -253.168 -41.9146 -60.8005 -41.9162 -42.6295 GPRESSURE: 4543000 -100.717 51.6508 -90.4605 143.527 -260.434 -129.727 31.6626 -64.7927 -17.4546 PRESSAVG: 4543000 -38.2231 43.365 -65.6116 43.3649 -37.0345 -5.96319 -65.6115 -5.96321 59.259 GPRESSAVG: 4543000 -38.9356 44.5676 -64.8971 41.6969 -36.4948 -5.84724 -66.9458 -5.99935 59.038 TIMING: 4543000 CPU: 13645.6, 0.00299908/step Wall: 13645.6, 0.00299908/step, 0.380717 hours remaining, 210.222656 MB of memory in use. ENERGY: 4543000 761.0207 2064.1850 1947.8663 122.4964 -206154.3164 17594.1349 0.0000 0.0000 34269.4179 -149395.1951 299.2833 -183664.6130 -149302.8161 299.1251 -161.5393 -126.2018 557040.6489 -5.3329 -5.4642 PRESSURE: 4543200 -351.306 -52.9506 -108.12 -52.9503 -462.648 -16.7332 -108.119 -16.7333 -313.285 GPRESSURE: 4543200 -301.372 7.30008 -160.565 -122.223 -466.874 7.16003 -89.3357 -0.232756 -263.365 PRESSAVG: 4543200 -63.0876 6.03984 -55.7596 6.03981 -45.6608 -12.3496 -55.7597 -12.3496 138.109 GPRESSAVG: 4543200 -62.9422 6.06306 -56.903 6.91014 -45.218 -11.2061 -56.0984 -14.8324 137.607 TIMING: 4543200 CPU: 13646.2, 0.00300843/step Wall: 13646.2, 0.00300843/step, 0.381736 hours remaining, 210.222656 MB of memory in use. ENERGY: 4543200 749.9413 2078.1288 1952.3062 123.8175 -205861.6757 17439.6928 0.0000 0.0000 34210.1269 -149307.6622 298.7655 -183517.7890 -149201.5905 299.5749 -375.7465 -343.8702 559630.4123 9.7870 9.8154 PRESSURE: 4543400 273.505 2.97503 38.7819 2.97454 133.689 -170.072 38.7824 -170.073 -99.824 GPRESSURE: 4543400 250.338 0.382327 90.2917 51.2469 221.41 -170.701 9.14962 -183.01 -67.5301 PRESSAVG: 4543400 112.196 -41.2694 46.5097 -41.2694 -7.01656 -69.3566 46.5096 -69.3565 -82.2845 GPRESSAVG: 4543400 111.62 -42.1906 46.5323 -40.1089 -7.47466 -71.3077 46.8174 -66.9033 -81.4223 TIMING: 4543400 CPU: 13646.8, 0.0029972/step Wall: 13646.8, 0.0029972/step, 0.380145 hours remaining, 210.222656 MB of memory in use. ENERGY: 4543400 747.9535 2003.9073 1932.6533 109.2269 -206126.3632 18000.7498 0.0000 0.0000 34002.8422 -149329.0301 296.9553 -183331.8724 -149232.1784 298.5543 102.4567 134.7392 559156.5351 7.6316 7.5742 PRESSURE: 4543600 -86.7455 140.399 -61.1788 140.398 186.654 -305.402 -61.1786 -305.402 -29.9198 GPRESSURE: 4543600 -18.6204 155.339 -128.659 204.498 244.35 -315.663 -75.8873 -213.158 -42.3529 PRESSAVG: 4543600 42.3322 -49.511 26.6915 -49.5109 45.0513 -7.33406 26.6915 -7.334 -41.7954 GPRESSAVG: 4543600 43.3381 -50.7918 26.7357 -48.0792 45.508 -5.50938 25.9866 -7.04634 -42.8462 TIMING: 4543600 CPU: 13647.4, 0.00298154/step Wall: 13647.4, 0.00298154/step, 0.377993 hours remaining, 210.222656 MB of memory in use. ENERGY: 4543600 765.3799 2097.9597 1960.0778 111.0153 -206391.5567 18087.0184 0.0000 0.0000 34257.9384 -149112.1671 299.1831 -183370.1055 -149014.8364 299.1874 23.3297 61.1257 558242.1649 15.1960 15.3333 PRESSURE: 4543800 -23.8117 -96.4416 240.336 -96.4416 74.0662 -128.564 240.336 -128.564 -271.058 GPRESSURE: 4543800 1.50458 -20.553 266.79 -119.379 145.694 -120.364 239.244 -137.323 -265.969 PRESSAVG: 4543800 -33.1551 -56.2689 -8.66356 -56.2691 -9.36749 -8.32647 -8.66348 -8.32653 20.2574 GPRESSAVG: 4543800 -34.5464 -54.7299 -7.10013 -59.576 -8.61028 -9.0299 -6.48381 -10.176 20.5143 TIMING: 4543800 CPU: 13648, 0.00298575/step Wall: 13648, 0.00298575/step, 0.378361 hours remaining, 210.222656 MB of memory in use. ENERGY: 4543800 762.7964 2057.1626 1947.1770 122.0616 -206202.1089 17618.8471 0.0000 0.0000 34403.5010 -149290.5632 300.4543 -183694.0642 -149196.3415 299.1666 -73.6013 -39.5900 556617.0146 -7.4217 -7.5475 PRESSURE: 4544000 48.1435 -18.8763 115.025 -18.8766 -87.1242 152.128 115.025 152.128 82.2604 GPRESSURE: 4544000 60.0067 -60.7569 97.3556 -33.4846 -56.184 49.5043 144.772 130.355 124.283 PRESSAVG: 4544000 8.15713 -21.9326 -19.3464 -21.9326 50.3708 -39.977 -19.3464 -39.9769 -18.7037 GPRESSAVG: 4544000 9.4434 -22.664 -18.6628 -20.2552 49.7997 -40.4536 -20.8673 -38.6952 -18.8162 TIMING: 4544000 CPU: 13648.6, 0.00297497/step Wall: 13648.6, 0.00297497/step, 0.376829 hours remaining, 210.222656 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: 4544000 753.3917 2092.5870 1959.7393 119.8601 -206116.1157 17729.1101 0.0000 0.0000 34260.9071 -149200.5204 299.2090 -183461.4275 -149099.8701 299.1640 14.4266 42.7020 557980.0459 13.2747 13.4756 PRESSURE: 4544200 -13.634 56.3804 53.0863 56.3795 46.0294 -206.964 53.0874 -206.964 -47.0547 GPRESSURE: 4544200 -25.6932 15.9869 -9.47629 134.063 125.534 -113.759 84.0425 -237.537 -23.5054 PRESSAVG: 4544200 20.366 51.9327 -19.9211 51.9327 -12.5746 27.0589 -19.9211 27.059 -20.5371 GPRESSAVG: 4544200 20.0339 52.546 -21.5601 51.8132 -12.7599 28.3303 -17.6802 25.6534 -20.0913 TIMING: 4544200 CPU: 13649.2, 0.00296806/step Wall: 13649.2, 0.00296806/step, 0.375789 hours remaining, 210.222656 MB of memory in use. ENERGY: 4544200 755.6358 2079.8366 1948.0258 114.3105 -206204.2061 17888.5767 0.0000 0.0000 34328.2874 -149089.5334 299.7975 -183417.8208 -148998.6587 299.0743 -4.8864 25.4451 558410.3303 -4.2485 -4.2724 LDB: ============= START OF LOAD BALANCING ============== 13652.7 LDB: ============== END OF LOAD BALANCING =============== 13652.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13652.7 LDB: ============= START OF LOAD BALANCING ============== 13653 LDB: Largest compute 4802 load 0.028427 is 24.0% of average load 0.118214 LDB: Average compute 0.001732 is 1.5% of average load 0.118214 LDB: TIME 13653 LOAD: AVG 0.118214 MAX 0.206067 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.723 MB LDB: TIME 13653 LOAD: AVG 0.118214 MAX 0.206067 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.723 MB LDB: TIME 13653 LOAD: AVG 0.118214 MAX 0.206067 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.723 MB LDB: ============== END OF LOAD BALANCING =============== 13653 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13653 PRESSURE: 4544400 219.39 -231.958 32.9163 -231.957 334.331 -80.2912 32.9156 -80.2895 -36.553 GPRESSURE: 4544400 205.745 -143.687 39.5472 -254.269 357.348 -81.1915 -19.19 -9.02113 54.7035 PRESSAVG: 4544400 28.5876 -33.509 7.1107 -33.509 79.955 -9.65922 7.11069 -9.65925 -21.8949 GPRESSAVG: 4544400 29.0146 -32.1103 7.54219 -34.9509 79.3648 -10.8692 6.24429 -9.52748 -21.4714 TIMING: 4544400 CPU: 13649.8, 0.00303199/step Wall: 13649.8, 0.00303199/step, 0.383715 hours remaining, 208.722656 MB of memory in use. ENERGY: 4544400 757.1591 2036.9116 1977.0814 112.7634 -206510.1333 18157.7770 0.0000 0.0000 34324.7968 -149143.6440 299.7670 -183468.4409 -149047.1865 299.7123 172.3894 205.9324 558367.7325 28.8826 28.9693 PRESSURE: 4544600 189.218 -186.48 -128.464 -186.479 -112.375 -65.1882 -128.464 -65.1885 -14.3328 GPRESSURE: 4544600 178.636 -166.941 -86.9154 -159.181 -60.3496 -22.9286 -137.025 -120.155 37.7701 PRESSAVG: 4544600 27.2978 -41.3692 -35.0214 -41.3693 5.83304 -17.1126 -35.0213 -17.1126 -15.2624 GPRESSAVG: 4544600 26.0545 -42.8764 -33.8885 -40.5736 6.37956 -16.9057 -37.568 -17.0724 -14.5641 TIMING: 4544600 CPU: 13650.4, 0.00299965/step Wall: 13650.4, 0.00299965/step, 0.379456 hours remaining, 208.722656 MB of memory in use. ENERGY: 4544600 766.2199 2054.1737 1945.7952 121.9178 -206192.4447 17822.8328 0.0000 0.0000 34437.2040 -149044.3014 300.7487 -183481.5053 -148948.4917 299.2734 20.8368 52.0189 556297.2775 5.9562 5.9566 PRESSURE: 4544800 102.609 -116.169 9.16841 -116.17 98.0066 173.013 9.16908 173.014 24.7981 GPRESSURE: 4544800 174.701 -155.655 32.0212 -92.0824 137.783 116.834 -86.5112 119.407 12.3186 PRESSAVG: 4544800 41.395 -37.5857 -27.6567 -37.5856 14.1549 -8.42044 -27.6567 -8.42046 -50.7738 GPRESSAVG: 4544800 42.1662 -39.7916 -29.4046 -36.8479 14.2861 -8.42569 -25.8784 -9.513 -52.0522 TIMING: 4544800 CPU: 13651, 0.0029764/step Wall: 13651, 0.0029764/step, 0.376349 hours remaining, 208.722656 MB of memory in use. ENERGY: 4544800 757.3415 2073.4695 1946.9546 107.7957 -206083.7399 17754.5093 0.0000 0.0000 34427.5487 -149016.1207 300.6643 -183443.6694 -148913.8448 299.4693 75.1379 108.2675 558427.2358 1.5920 1.4667 PRESSURE: 4545000 166.492 199.727 -86.0458 199.727 137.611 233.604 -86.047 233.606 196.034 GPRESSURE: 4545000 174.469 166.048 -94.1963 187.383 203.161 218.906 -35.4314 226.764 220.35 PRESSAVG: 4545000 50.8826 73.7831 6.06531 73.7831 18.7971 39.8328 6.06521 39.8328 -51.932 GPRESSAVG: 4545000 50.9676 74.9328 6.3177 75.0861 19.2172 40.1411 6.86154 41.9126 -52.8025 TIMING: 4545000 CPU: 13651.6, 0.00302837/step Wall: 13651.6, 0.00302837/step, 0.382752 hours remaining, 208.792969 MB of memory in use. ENERGY: 4545000 758.2791 2053.5902 1953.5153 123.1724 -206258.3910 17982.3946 0.0000 0.0000 34221.2967 -149166.1428 298.8631 -183387.4395 -149067.8237 300.0686 166.7126 199.3269 556358.8161 5.9159 5.7941 PRESSURE: 4545200 134.034 -53.2237 -242.502 -53.2244 -133.062 -79.792 -242.501 -79.7891 46.6903 GPRESSURE: 4545200 181.505 35.3307 -282.645 -57.3137 -121.667 -18.8257 -218.563 -124.29 81.1809 PRESSAVG: 4545200 6.47729 42.1673 19.4175 42.1673 -12.9899 -8.00266 19.4175 -8.00261 5.57014 GPRESSAVG: 4545200 7.7585 42.0448 15.73 41.5933 -13.3201 -8.54584 22.3268 -7.67714 5.04422 TIMING: 4545200 CPU: 13652.2, 0.00297831/step Wall: 13652.2, 0.00297831/step, 0.37626 hours remaining, 208.792969 MB of memory in use. ENERGY: 4545200 753.6793 2054.4630 1926.4195 127.6132 -206137.7112 17807.6708 0.0000 0.0000 34438.7810 -149029.0844 300.7624 -183467.8655 -148938.2212 299.7670 15.8874 47.0062 556972.9639 -0.3142 -0.1725 PRESSURE: 4545400 -31.2125 -93.3221 10.2089 -93.3215 112.909 -60.1546 10.2084 -60.1549 295.472 GPRESSURE: 4545400 6.35841 -125.422 -32.2702 -48.1421 170.469 -54.5155 -21.6347 13.915 288.824 PRESSAVG: 4545400 -39.2869 28.5889 -10.1678 28.5889 62.6921 -8.33902 -10.1678 -8.33882 -10.0164 GPRESSAVG: 4545400 -40.5277 29.7278 -6.8076 27.3441 62.4628 -7.70509 -14.9728 -10.794 -8.8329 TIMING: 4545400 CPU: 13652.8, 0.00297846/step Wall: 13652.8, 0.00297846/step, 0.376113 hours remaining, 208.792969 MB of memory in use. ENERGY: 4545400 726.5423 2097.6549 1960.7066 111.6163 -206166.6659 17933.7804 0.0000 0.0000 34171.7921 -149164.5732 298.4308 -183336.3653 -149068.9999 299.9821 125.7229 155.2170 556242.5985 4.4630 4.3674 PRESSURE: 4545600 -200.576 34.1446 7.06198 34.1451 -15.1142 39.8832 7.06379 39.8832 -223.478 GPRESSURE: 4545600 -201.249 6.57203 -13.1084 48.2938 55.9486 -36.5006 51.2988 50.4075 -193.673 PRESSAVG: 4545600 -45.5235 -3.24621 55.8844 -3.24624 -16.2012 12.4465 55.8844 12.4465 38.5975 GPRESSAVG: 4545600 -46.1687 -3.80339 54.0978 -3.39582 -15.897 13.4494 58.0166 13.2625 39.1384 TIMING: 4545600 CPU: 13653.4, 0.00296441/step Wall: 13653.4, 0.00296441/step, 0.374175 hours remaining, 208.792969 MB of memory in use. ENERGY: 4545600 747.2108 2111.9505 1928.2227 107.5348 -205938.8546 17704.4294 0.0000 0.0000 34072.5266 -149266.9798 297.5638 -183339.5064 -149173.3264 299.8792 -146.3894 -112.9915 558425.8693 -7.7091 -7.6424 PRESSURE: 4545800 -21.8758 162.594 -85.7942 162.594 131.796 86.46 -85.7943 86.46 -58.1287 GPRESSURE: 4545800 43.0156 52.1271 -105.228 139.46 187.024 128.354 -23.2745 -4.57829 -64.404 PRESSAVG: 4545800 5.99109 -11.8038 -72.5239 -11.8038 16.9241 -53.6607 -72.5239 -53.6607 -16.1317 GPRESSAVG: 4545800 7.09464 -11.9056 -70.4599 -11.7951 16.9912 -53.3156 -73.4462 -54.9164 -17.516 TIMING: 4545800 CPU: 13654, 0.00293992/step Wall: 13654, 0.00293992/step, 0.370919 hours remaining, 208.792969 MB of memory in use. ENERGY: 4545800 769.8604 2061.0999 1935.6811 120.1893 -206437.0963 18092.6339 0.0000 0.0000 34120.5527 -149337.0790 297.9833 -183457.6317 -149251.0957 299.0830 17.2638 55.2118 558074.5164 2.2612 2.1899 PRESSURE: 4546000 -156.27 -65.6442 46.4288 -65.6439 -291.626 77.9816 46.429 77.9817 -127.336 GPRESSURE: 4546000 -84.3214 53.5632 65.2566 -174.274 -249.114 46.1115 58.3226 132.686 -147.041 PRESSAVG: 4546000 53.2028 -29.0156 -33.797 -29.0156 -19.5551 25.0176 -33.7969 25.0177 -46.3944 GPRESSAVG: 4546000 53.2867 -28.1834 -34.0828 -27.4783 -19.9874 24.1859 -33.073 27.7189 -46.2925 TIMING: 4546000 CPU: 13654.6, 0.00295482/step Wall: 13654.6, 0.00295482/step, 0.372636 hours remaining, 208.792969 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: 4546000 751.2696 2105.7258 1940.6512 116.0459 -206091.2581 17666.9334 0.0000 0.0000 34130.0614 -149380.5707 298.0663 -183510.6321 -149284.1816 298.9454 -191.7440 -160.1588 557982.6471 -4.2489 -4.3310 PRESSURE: 4546200 274.413 -128.692 3.68997 -128.691 285.632 -69.0636 3.69106 -69.0636 -50.2496 GPRESSURE: 4546200 331.504 -111.35 -64.8873 -133.023 323.572 -68.2031 102.04 -7.86063 -46.4018 PRESSAVG: 4546200 15.9268 16.6553 -56.1014 16.6551 43.9041 7.74703 -56.1015 7.74708 -59.4547 GPRESSAVG: 4546200 14.1821 16.5117 -54.9511 16.5424 44.5643 8.59397 -56.4834 6.29424 -58.3352 TIMING: 4546200 CPU: 13655.2, 0.00293021/step Wall: 13655.2, 0.00293021/step, 0.369369 hours remaining, 208.792969 MB of memory in use. ENERGY: 4546200 743.8156 2099.0859 1922.1818 121.9854 -206866.1387 18173.5743 0.0000 0.0000 34336.2741 -149469.2215 299.8672 -183805.4956 -149375.0299 299.0894 169.9317 202.8915 556879.0086 0.1254 0.1371 PRESSURE: 4546400 -286.744 207.295 -76.7555 207.296 197.347 -111.396 -76.7564 -111.397 -142.351 GPRESSURE: 4546400 -164.752 306.969 -112.965 150.824 165.157 -138.506 -8.16127 -107.742 -135.913 PRESSAVG: 4546400 0.0857933 34.4228 19.5068 34.4229 65.866 1.59768 19.5068 1.59762 -49.7127 GPRESSAVG: 4546400 1.29175 35.2061 17.1358 33.9817 64.6284 1.88529 20.9047 2.61984 -49.5202 TIMING: 4546400 CPU: 13655.8, 0.00296262/step Wall: 13655.8, 0.00296262/step, 0.37329 hours remaining, 208.792969 MB of memory in use. ENERGY: 4546400 791.0164 2023.5762 1956.5377 113.1654 -206029.2609 17758.1591 0.0000 0.0000 34065.6236 -149321.1826 297.5036 -183386.8063 -149223.6263 298.5729 -77.2494 -45.1690 557800.2933 5.4130 5.4667 PRESSURE: 4546600 -131.518 -62.9097 55.0107 -62.9084 101.083 72.0774 55.0109 72.0781 -21.4481 GPRESSURE: 4546600 -91.3378 -97.3338 -3.96658 -19.5281 128.645 67.581 74.1572 14.4908 18.0986 PRESSAVG: 4546600 -33.6473 24.0598 -49.0888 24.0598 2.4394 5.9257 -49.0888 5.92572 3.16612 GPRESSAVG: 4546600 -34.3602 24.0752 -48.3702 22.9748 3.1287 4.93823 -49.4689 5.94129 2.71726 TIMING: 4546600 CPU: 13656.3, 0.00296432/step Wall: 13656.3, 0.00296432/step, 0.373339 hours remaining, 208.792969 MB of memory in use. ENERGY: 4546600 784.7907 2020.9578 1965.0395 107.2882 -206367.3105 17899.8611 0.0000 0.0000 34148.1804 -149441.1927 298.2246 -183589.3730 -149343.7359 298.2615 -17.2942 18.4687 557805.6348 -9.3473 -9.5047 PRESSURE: 4546800 -234.18 -161.557 -30.6753 -161.558 113.042 -36.4691 -30.6753 -36.469 -455.865 GPRESSURE: 4546800 -209.653 -132.916 -6.62689 -164.504 154.684 2.97335 -99.5732 5.09919 -421.181 PRESSAVG: 4546800 -95.1502 30.0848 82.7753 30.0848 69.0763 -25.6891 82.7754 -25.6892 20.1358 GPRESSAVG: 4546800 -95.3591 29.4371 84.8627 30.2045 69.2361 -26.8388 78.5328 -24.0944 20.324 TIMING: 4546800 CPU: 13656.9, 0.0029793/step Wall: 13656.9, 0.0029793/step, 0.375061 hours remaining, 208.792969 MB of memory in use. ENERGY: 4546800 773.6196 2110.0780 1939.9411 116.9737 -206070.9046 17642.0660 0.0000 0.0000 34005.8684 -149482.3579 296.9817 -183488.2263 -149383.6551 298.2905 -192.3340 -158.7167 558623.3502 -1.9794 -1.9330 PRESSURE: 4547000 88.7895 43.1951 92.6476 43.1949 -259.845 47.9746 92.6472 47.9751 -283.068 GPRESSURE: 4547000 120.395 115.183 45.0892 19.3004 -206.725 7.35683 119.694 43.3755 -282.064 PRESSAVG: 4547000 1.97129 7.96614 32.873 7.96619 33.5124 -2.29569 32.8729 -2.2956 19.513 GPRESSAVG: 4547000 2.26044 7.93171 31.1943 7.86406 33.7697 -0.74689 35.7575 -4.44715 19.0784 TIMING: 4547000 CPU: 13657.5, 0.00298914/step Wall: 13657.5, 0.00298914/step, 0.376134 hours remaining, 208.792969 MB of memory in use. ENERGY: 4547000 759.7084 2052.5750 1955.2400 119.8924 -206198.7541 17816.9294 0.0000 0.0000 34104.3925 -149390.0164 297.8421 -183494.4089 -149292.9349 298.8862 -151.3746 -122.7978 559621.1809 18.3322 18.3695 PRESSURE: 4547200 -53.1865 -26.6266 -10.5068 -26.627 271.176 20.8394 -10.5062 20.8415 -157.488 GPRESSURE: 4547200 -26.1965 23.5557 26.2341 -77.8603 273.838 88.8551 -31.7123 23.251 -84.11 PRESSAVG: 4547200 41.1938 34.565 -5.16988 34.5651 -7.61738 -13.5636 -5.16986 -13.5637 -20.3376 GPRESSAVG: 4547200 40.9852 34.0733 -2.60084 35.6874 -9.3817 -15.6687 -6.26511 -11.4442 -19.1426 TIMING: 4547200 CPU: 13658.1, 0.00294601/step Wall: 13658.1, 0.00294601/step, 0.370542 hours remaining, 208.792969 MB of memory in use. ENERGY: 4547200 720.3669 2039.5617 1957.7901 109.2640 -206453.3392 18038.4387 0.0000 0.0000 34150.7602 -149437.1576 298.2471 -183587.9178 -149345.7536 298.4725 20.1673 54.5104 559020.4465 4.4129 4.1537 PRESSURE: 4547400 -192.538 109.593 62.4182 109.594 39.3597 -85.5334 62.4188 -85.5343 -99.1199 GPRESSURE: 4547400 -108.853 105.666 120.795 129.563 23.2961 -117.21 74.2746 -46.7398 -76.2333 PRESSAVG: 4547400 3.25639 -5.53637 -4.49002 -5.53633 2.01052 -46.8832 -4.4901 -46.8832 -16.729 GPRESSAVG: 4547400 3.02625 -6.32416 -6.63757 -6.08931 2.54562 -44.7032 -2.60878 -49.6128 -16.6219 TIMING: 4547400 CPU: 13658.7, 0.00298129/step Wall: 13658.7, 0.00298129/step, 0.374815 hours remaining, 208.792969 MB of memory in use. ENERGY: 4547400 768.6186 2057.0861 1960.4277 128.0450 -206639.8396 17976.4437 0.0000 0.0000 34193.9410 -149555.2774 298.6242 -183749.2184 -149464.8459 298.5883 -84.0995 -53.9302 558767.3327 -3.8207 -3.6833 PRESSURE: 4547600 -100.54 -55.8352 -35.0184 -55.8341 9.77337 60.55 -35.0177 60.5503 -111.803 GPRESSURE: 4547600 -40.7684 21.3767 21.537 -132.738 58.6332 -29.9297 -127.487 117.303 -115.651 PRESSAVG: 4547600 4.88426 13.6158 2.71106 13.6158 17.0649 33.2796 2.71103 33.2795 -15.3445 GPRESSAVG: 4547600 3.86086 14.8859 2.901 12.9645 18.1982 31.3009 1.48855 35.1591 -15.2233 TIMING: 4547600 CPU: 13659.3, 0.00293824/step Wall: 13659.3, 0.00293824/step, 0.369239 hours remaining, 208.792969 MB of memory in use. ENERGY: 4547600 754.7427 2006.9030 1923.1352 103.6867 -206156.9869 17803.7975 0.0000 0.0000 34038.4042 -149526.3177 297.2658 -183564.7218 -149430.4546 297.9207 -67.5231 -32.5953 558364.6169 2.2016 2.2786 PRESSURE: 4547800 211.089 193.835 -149.884 193.834 -86.1983 23.8551 -149.884 23.8548 162.225 GPRESSURE: 4547800 218.355 248.463 -175.841 133.504 -27.161 55.868 -102.98 54.3218 200.66 PRESSAVG: 4547800 26.8698 6.57543 -22.6616 6.5754 7.97059 52.4898 -22.6617 52.4897 -43.5709 GPRESSAVG: 4547800 26.7725 6.28911 -20.2767 7.29992 7.86438 53.9275 -23.5261 51.1265 -42.8644 TIMING: 4547800 CPU: 13659.9, 0.00295854/step Wall: 13659.9, 0.00295854/step, 0.371626 hours remaining, 208.792969 MB of memory in use. ENERGY: 4547800 745.9840 2056.2895 1941.7885 123.6500 -206342.8435 18019.0896 0.0000 0.0000 33981.4121 -149474.6296 296.7681 -183456.0417 -149381.7005 297.9816 95.7055 130.6180 557247.4891 -2.9101 -2.7425 PRESSURE: 4548000 -48.1409 -159.44 -122.343 -159.44 89.8428 80.3003 -122.342 80.3 167.018 GPRESSURE: 4548000 32.8282 -227.453 -173.429 -91.0647 131.871 20.7034 -126.695 83.0198 147.685 PRESSAVG: 4548000 44.2935 -23.1297 -55.4071 -23.1297 -28.4091 4.23435 -55.4071 4.23435 -24.4961 GPRESSAVG: 4548000 45.8583 -24.6407 -58.3247 -22.8864 -28.2259 1.2922 -55.9663 5.47241 -25.9218 TIMING: 4548000 CPU: 13660.5, 0.00295149/step Wall: 13660.5, 0.00295149/step, 0.370576 hours remaining, 208.792969 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: 4548000 723.7497 2060.6294 1939.8225 105.8704 -206458.9713 18018.4239 0.0000 0.0000 34197.1332 -149413.3421 298.6521 -183610.4753 -149325.3332 298.4895 69.5734 104.1280 557620.9555 -2.8706 -2.7631 PRESSURE: 4548200 230.15 3.48951 -85.4303 3.48936 115.757 -145.957 -85.4293 -145.959 182.897 GPRESSURE: 4548200 229.418 11.4539 -163.029 -112.347 210.398 -149.767 -11.9223 -181.344 176.048 PRESSAVG: 4548200 49.6366 -50.323 -56.4684 -50.323 -68.294 -35.0474 -56.4684 -35.0475 4.13458 GPRESSAVG: 4548200 49.2681 -47.5556 -56.8847 -49.3737 -68.4572 -31.969 -53.3296 -34.01 4.33935 TIMING: 4548200 CPU: 13661.1, 0.00296577/step Wall: 13661.1, 0.00296577/step, 0.372205 hours remaining, 208.792969 MB of memory in use. ENERGY: 4548200 710.3305 2094.4070 1943.6298 123.2229 -206286.2840 17833.1172 0.0000 0.0000 34172.2176 -149409.3589 298.4345 -183581.5765 -149308.2103 298.7623 176.2681 205.2879 556015.2615 -4.8409 -4.9499 LDB: ============= START OF LOAD BALANCING ============== 13664.6 LDB: ============== END OF LOAD BALANCING =============== 13664.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13664.6 LDB: ============= START OF LOAD BALANCING ============== 13664.9 LDB: Largest compute 4772 load 0.028740 is 24.3% of average load 0.118120 LDB: Average compute 0.001734 is 1.5% of average load 0.118120 LDB: TIME 13664.9 LOAD: AVG 0.11812 MAX 0.207397 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.523 MB LDB: TIME 13664.9 LOAD: AVG 0.11812 MAX 0.207397 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.523 MB LDB: TIME 13664.9 LOAD: AVG 0.11812 MAX 0.207397 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.523 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13664.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13664.9 PRESSURE: 4548400 27.9561 6.97906 -68.2278 6.97913 98.63 47.2582 -68.2271 47.2572 -169.466 GPRESSURE: 4548400 82.4 -17.3065 -84.445 36.022 126.099 65.3362 -19.6574 3.91343 -159.271 PRESSAVG: 4548400 -25.4694 -1.34289 -38.0801 -1.34294 28.278 -37.5264 -38.08 -37.5263 -3.10384 GPRESSAVG: 4548400 -24.7761 -3.09956 -37.3899 -1.9525 27.1376 -38.8309 -38.035 -38.4237 -2.80842 TIMING: 4548400 CPU: 13661.7, 0.00302882/step Wall: 13661.7, 0.00302881/step, 0.379948 hours remaining, 209.093750 MB of memory in use. ENERGY: 4548400 727.4361 2043.5356 1960.9100 117.4185 -205921.5761 17631.0905 0.0000 0.0000 33938.1126 -149503.0728 296.3900 -183441.1854 -149416.2276 298.2693 -14.2933 16.4092 556574.2695 -0.0984 -0.1490 PRESSURE: 4548600 64.4532 106.309 156.736 106.308 76.8125 51.3602 156.736 51.3611 77.9266 GPRESSURE: 4548600 97.1443 54.2419 26.1597 76.9506 91.9948 112.792 166.787 64.0685 124.811 PRESSAVG: 4548600 53.8968 27.4623 1.15717 27.4623 -26.4333 41.9728 1.1572 41.9729 -16.1985 GPRESSAVG: 4548600 53.3326 28.3694 1.46891 27.8432 -26.7096 42.3322 1.6249 39.5701 -15.5783 TIMING: 4548600 CPU: 13662.3, 0.00300154/step Wall: 13662.3, 0.00300154/step, 0.376359 hours remaining, 209.425781 MB of memory in use. ENERGY: 4548600 759.1573 1998.2419 1951.3923 107.3052 -206384.9602 18009.4087 0.0000 0.0000 34069.5469 -149489.9080 297.5378 -183559.4548 -149398.7378 298.2072 73.0641 104.6500 557762.8332 3.7550 3.6816 PRESSURE: 4548800 -168.592 -43.8503 -4.77808 -43.8498 92.3917 -19.542 -4.77817 -19.5433 342.881 GPRESSURE: 4548800 -116.714 -39.1066 32.4479 -82.7571 75.5433 -78.064 -21.9112 -91.5441 402.372 PRESSAVG: 4548800 -14.3224 -2.73773 -49.4601 -2.73778 -11.6963 16.2374 -49.4602 16.2374 4.40635 GPRESSAVG: 4548800 -15.6756 -3.33089 -49.3627 -3.09336 -11.2407 16.3884 -50.0309 18.7564 4.82393 TIMING: 4548800 CPU: 13662.9, 0.00299492/step Wall: 13662.9, 0.00299492/step, 0.375364 hours remaining, 209.425781 MB of memory in use. ENERGY: 4548800 770.5213 2086.6076 1964.6829 118.5093 -206535.0001 18000.5122 0.0000 0.0000 34016.7197 -149577.4470 297.0765 -183594.1668 -149483.4611 298.0153 88.8934 120.4002 556977.3034 -7.2041 -7.3641 PRESSURE: 4549000 98.221 -269.912 223.207 -269.912 -11.3891 -80.175 223.209 -80.1769 -141.89 GPRESSURE: 4549000 133.649 -215.437 279.27 -279.102 -34.1916 -60.1479 181.6 -160.227 -71.4827 PRESSAVG: 4549000 41.3618 -39.0141 -5.07326 -39.0142 -62.1775 30.0667 -5.07314 30.0667 30.0525 GPRESSAVG: 4549000 42.0412 -38.3566 -5.60255 -39.4691 -61.4656 30.5569 -5.32202 28.7653 29.0088 TIMING: 4549000 CPU: 13663.5, 0.0029656/step Wall: 13663.5, 0.0029656/step, 0.371524 hours remaining, 209.425781 MB of memory in use. ENERGY: 4549000 698.2526 2105.4543 1940.5212 116.4189 -206651.3383 18058.8829 0.0000 0.0000 34248.8217 -149482.9867 299.1035 -183731.8085 -149392.1335 298.5098 -18.3527 9.3248 559043.8476 3.0789 3.1948 PRESSURE: 4549200 -66.7788 126.95 5.95241 126.95 37.2856 20.4523 5.95336 20.4514 -83.6971 GPRESSURE: 4549200 -42.2982 139.525 54.6964 136.978 89.1066 45.8675 73.8621 89.9976 -58.521 PRESSAVG: 4549200 -19.1842 -8.76877 40.3334 -8.76875 49.8886 -17.4331 40.3334 -17.4331 10.4211 GPRESSAVG: 4549200 -18.1416 -8.88782 40.5525 -11.1666 49.4844 -17.8199 40.5048 -16.6355 10.007 TIMING: 4549200 CPU: 13664.1, 0.00297794/step Wall: 13664.1, 0.00297794/step, 0.372905 hours remaining, 209.425781 MB of memory in use. ENERGY: 4549200 746.1622 2108.4015 1958.6500 112.8990 -206345.8843 17818.4856 0.0000 0.0000 34100.1769 -149501.1091 297.8053 -183601.2860 -149406.5963 298.2574 -37.7301 -3.9042 557069.8533 13.7085 13.7833 PRESSURE: 4549400 -85.4729 -150.733 76.3757 -150.734 -32.5975 93.4254 76.375 93.4266 -22.6072 GPRESSURE: 4549400 -43.7022 -163.847 91.7822 -93.3417 -3.81256 130.211 -41.3313 65.9586 -4.29321 PRESSAVG: 4549400 -7.00375 -34.9863 -33.6706 -34.9863 70.3953 14.6266 -33.6706 14.6265 -48.4434 GPRESSAVG: 4549400 -6.72682 -34.4054 -32.9476 -32.4621 70.2403 16.0654 -34.9166 13.7328 -48.6067 TIMING: 4549400 CPU: 13664.7, 0.00296934/step Wall: 13664.7, 0.00296934/step, 0.371662 hours remaining, 209.425781 MB of memory in use. ENERGY: 4549400 731.6146 2085.3640 1955.0262 114.2078 -206674.4614 17832.0164 0.0000 0.0000 34246.0309 -149710.2016 299.0791 -183956.2324 -149610.3436 298.4994 -46.8925 -17.2693 556826.4168 4.9827 4.9689 PRESSURE: 4549600 -157.466 -0.396841 110.576 -0.395324 -349.083 52.0067 110.576 52.0081 -251.77 GPRESSURE: 4549600 -151.334 -46.4041 75.0292 -27.2595 -335.341 92.8532 38.2864 55.2781 -183.29 PRESSAVG: 4549600 43.8052 -18.4515 12.7093 -18.4515 1.83689 11.7555 12.7093 11.7554 3.07903 GPRESSAVG: 4549600 42.7013 -17.5958 10.42 -21.5441 3.60377 12.0799 12.4268 11.3133 2.95086 TIMING: 4549600 CPU: 13665.3, 0.00300941/step Wall: 13665.3, 0.00300941/step, 0.376511 hours remaining, 209.425781 MB of memory in use. ENERGY: 4549600 759.2993 2085.8249 1961.0546 113.1100 -206143.6725 17555.5003 0.0000 0.0000 34114.9470 -149553.9364 297.9343 -183668.8834 -149463.9232 298.4109 -252.7726 -223.3215 559139.0578 16.2404 16.4187 PRESSURE: 4549800 236.392 -9.78915 -72.1792 -9.78884 162.891 -87.0664 -72.1782 -87.0641 -204.018 GPRESSURE: 4549800 313.401 -44.8466 32.9166 16.3968 174.06 -108.987 -59.0472 -124.604 -178.129 PRESSAVG: 4549800 13.5015 -47.5381 1.75629 -47.5381 7.1527 -16.0634 1.75627 -16.0633 -41.6903 GPRESSAVG: 4549800 13.9987 -46.8286 3.56223 -46.0611 6.69068 -17.7922 4.57682 -15.5061 -41.8857 TIMING: 4549800 CPU: 13665.9, 0.00300554/step Wall: 13665.9, 0.00300554/step, 0.375859 hours remaining, 209.425781 MB of memory in use. ENERGY: 4549800 750.6014 2053.7548 1929.9839 102.8837 -206737.5269 18124.1141 0.0000 0.0000 34102.2983 -149673.8906 297.8239 -183776.1889 -149577.3396 297.8182 65.0884 103.1108 558348.8972 -7.0120 -7.0654 PRESSURE: 4550000 110.787 -47.1795 -164.954 -47.1807 176.699 -104.072 -164.955 -104.073 -262.786 GPRESSURE: 4550000 154.525 -139.756 -164.285 -22.8062 232.392 -100.259 -135.278 -46.8476 -261.792 PRESSAVG: 4550000 44.9675 24.7323 -27.7288 24.7323 53.159 -19.7471 -27.7288 -19.7472 -128.813 GPRESSAVG: 4550000 45.7893 24.6407 -29.2246 25.5461 52.5947 -21.3778 -29.5287 -18.4956 -128.948 TIMING: 4550000 CPU: 13666.5, 0.00299291/step Wall: 13666.5, 0.00299291/step, 0.374113 hours remaining, 209.425781 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: 4550000 738.9166 2096.4473 1952.1962 118.7011 -206846.9396 18071.4601 0.0000 0.0000 34260.9969 -149608.2215 299.2098 -183869.2183 -149510.2027 297.9242 8.2335 41.7082 557002.3194 -10.2289 -10.1881 PRESSURE: 4550200 -106.31 214.789 23.9214 214.789 -310.622 19.6498 23.9213 19.6492 -63.4297 GPRESSURE: 4550200 -40.7024 194.002 25.2713 278.464 -286.397 110.539 48.5952 -32.5645 -66.8255 PRESSAVG: 4550200 77.4183 61.4912 9.16599 61.4913 -1.24278 -24.3506 9.166 -24.3506 -23.5797 GPRESSAVG: 4550200 77.9268 60.1614 9.02021 61.7411 -0.972924 -22.1399 7.56586 -25.764 -24.2861 TIMING: 4550200 CPU: 13667.1, 0.00297994/step Wall: 13667.1, 0.00297994/step, 0.372327 hours remaining, 209.425781 MB of memory in use. ENERGY: 4550200 746.3771 2079.8949 1912.8762 120.9624 -206124.7044 17660.6848 0.0000 0.0000 34208.3237 -149395.5853 298.7498 -183603.9091 -149294.9891 298.8418 -160.1206 -131.3082 558185.7160 17.5319 17.5559 PRESSURE: 4550400 -141.137 2.40319 -0.770887 2.40344 -165.32 -101.919 -0.769838 -101.919 -179.875 GPRESSURE: 4550400 -112.452 42.4247 44.452 30.9952 -147.108 -115.254 -56.8802 -81.4665 -135.76 PRESSAVG: 4550400 51.0667 42.75 17.7593 42.75 -70.8745 -48.4983 17.7591 -48.4983 -4.89102 GPRESSAVG: 4550400 49.8443 42.8469 18.2189 43.3114 -71.8281 -49.8558 18.997 -49.6072 -3.68202 TIMING: 4550400 CPU: 13667.7, 0.00297792/step Wall: 13667.7, 0.00297792/step, 0.371909 hours remaining, 209.628906 MB of memory in use. ENERGY: 4550400 733.5980 2129.0840 1952.9527 123.1607 -206293.7992 17742.8484 0.0000 0.0000 34090.1195 -149522.0359 297.7175 -183612.1554 -149428.9952 298.1066 -162.1105 -131.7734 559055.2055 -8.2329 -8.5553 PRESSURE: 4550600 152.418 18.4047 199.926 18.404 -138.737 -74.4467 199.926 -74.445 -93.8671 GPRESSURE: 4550600 151.874 -32.2617 196.151 49.2717 -115.201 -67.8325 167.934 -90.6497 -23.439 PRESSAVG: 4550600 -14.5308 15.978 -0.943402 15.978 -34.7917 14.1103 -0.943302 14.1102 31.947 GPRESSAVG: 4550600 -15.1802 14.1267 -0.997741 15.7853 -34.5314 15.7751 -0.791442 15.255 31.8679 TIMING: 4550600 CPU: 13668.3, 0.00295471/step Wall: 13668.3, 0.00295471/step, 0.368846 hours remaining, 209.628906 MB of memory in use. ENERGY: 4550600 720.4779 2041.2807 1959.9936 100.9619 -206015.7582 17657.0223 0.0000 0.0000 33963.8387 -149572.1832 296.6147 -183536.0220 -149470.2299 298.1013 -26.7288 4.4115 558267.4996 -5.7919 -5.9479 PRESSURE: 4550800 -168.277 24.0686 46.9787 24.068 163.301 -47.0146 46.9777 -47.0141 104.228 GPRESSURE: 4550800 -115.338 59.1439 -13.6154 2.08377 159.309 -62.3702 112.696 -17.6063 150.639 PRESSAVG: 4550800 -68.1694 -1.03527 0.913883 -1.03534 65.0232 -4.49473 0.913843 -4.49482 59.0553 GPRESSAVG: 4550800 -67.8661 1.64494 6.05615 -0.780941 64.1192 -4.70814 -0.209096 -4.7904 58.8469 TIMING: 4550800 CPU: 13668.9, 0.00299805/step Wall: 13668.9, 0.00299805/step, 0.374091 hours remaining, 209.628906 MB of memory in use. ENERGY: 4550800 767.7817 2056.7094 1955.8977 112.5203 -206601.3642 17867.6066 0.0000 0.0000 34133.2791 -149707.5694 298.0944 -183840.8485 -149604.1310 298.0927 33.0841 64.8698 556407.7547 18.6364 18.3666 PRESSURE: 4551000 184.543 -32.3011 -7.98798 -32.3016 -17.4242 28.6814 -7.98728 28.6808 175.405 GPRESSURE: 4551000 152.157 16.3216 34.772 -62.5105 60.1798 14.4491 -18.5699 106.366 234.589 PRESSAVG: 4551000 -12.1817 -15.0305 20.9997 -15.0306 -28.965 20.794 20.9996 20.7939 10.3869 GPRESSAVG: 4551000 -11.8189 -16.0073 17.4509 -13.4805 -29.0924 20.5499 21.1163 22.161 10.3675 TIMING: 4551000 CPU: 13669.4, 0.00295343/step Wall: 13669.4, 0.00295343/step, 0.368359 hours remaining, 209.628906 MB of memory in use. ENERGY: 4551000 740.4334 2082.0205 1943.2749 104.8517 -206553.4896 18200.1681 0.0000 0.0000 34192.9661 -149289.7748 298.6157 -183482.7409 -149190.5178 298.2078 114.1747 148.9754 557478.4112 -10.2533 -10.1812 PRESSURE: 4551200 -113.014 -124.297 -18.9188 -124.296 309.393 38.2732 -18.9198 38.2728 85.2256 GPRESSURE: 4551200 -8.52443 -143.036 42.501 -83.4295 318.664 -5.25252 23.8671 17.681 71.2635 PRESSAVG: 4551200 21.865 -9.88695 4.28722 -9.88686 -5.79869 -42.252 4.28726 -42.252 -23.7945 GPRESSAVG: 4551200 21.5818 -11.233 4.33756 -11.4325 -4.32675 -40.3604 4.61538 -42.6035 -24.6602 TIMING: 4551200 CPU: 13670, 0.00297209/step Wall: 13670, 0.00297209/step, 0.37052 hours remaining, 209.628906 MB of memory in use. ENERGY: 4551200 708.0140 2123.6483 1938.1240 104.9998 -206441.2010 17950.1432 0.0000 0.0000 34234.7746 -149381.4970 298.9808 -183616.2716 -149277.3016 299.0187 93.8682 127.1344 556600.2932 -2.5761 -2.4684 PRESSURE: 4551400 86.8192 90.5821 56.3876 90.583 -47.4438 17.44 56.3877 17.4393 107.098 GPRESSURE: 4551400 85.3814 41.6878 15.6055 60.8994 38.7837 -32.9035 99.3425 -13.4766 126.5 PRESSAVG: 4551400 64.0526 32.623 27.7723 32.6229 -28.1422 24.4848 27.7723 24.4847 -19.3366 GPRESSAVG: 4551400 63.2936 34.4142 24.9135 32.934 -27.4234 20.3765 29.442 24.0447 -19.0433 TIMING: 4551400 CPU: 13670.6, 0.00295669/step Wall: 13670.6, 0.00295669/step, 0.368437 hours remaining, 209.628906 MB of memory in use. ENERGY: 4551400 728.0917 2089.5051 1936.0859 104.0754 -206508.1152 18072.5774 0.0000 0.0000 34261.9149 -149315.8647 299.2178 -183577.7796 -149211.1770 298.8444 48.8246 83.5550 556672.9341 5.5246 5.6089 PRESSURE: 4551600 -230.373 -71.5453 31.2874 -71.5465 -39.8932 -38.0394 31.2854 -38.0396 -374.675 GPRESSURE: 4551600 -208.066 8.12664 -12.7283 -97.6803 0.98492 -14.4295 3.86278 -3.4052 -348.163 PRESSAVG: 4551600 91.1844 39.129 -6.04713 39.129 13.5633 -31.5332 -6.0472 -31.5332 -62.2197 GPRESSAVG: 4551600 93.0986 39.446 -3.27996 37.9829 12.1856 -28.5881 -7.56997 -30.9973 -62.284 TIMING: 4551600 CPU: 13671.2, 0.00294857/step Wall: 13671.2, 0.00294857/step, 0.36726 hours remaining, 209.628906 MB of memory in use. ENERGY: 4551600 779.0922 2044.9251 1938.8199 109.9318 -206092.9902 17698.4080 0.0000 0.0000 34135.0240 -149386.7892 298.1097 -183521.8132 -149296.7232 299.7052 -214.9806 -185.0815 557992.5061 14.1760 14.3334 PRESSURE: 4551800 59.0325 -103.893 -92.5439 -103.893 -233.152 -10.7401 -92.5432 -10.7413 -69.9447 GPRESSURE: 4551800 122.905 -141.791 -87.056 44.6176 -234.23 17.7285 -123.75 -83.3783 -42.5065 PRESSAVG: 4551800 21.3701 14.0743 -1.90702 14.0743 2.82428 -19.8459 -1.90706 -19.8459 13.2716 GPRESSAVG: 4551800 19.5329 14.5874 -2.05339 15.6455 4.71494 -21.8077 -1.30027 -19.3589 13.2876 TIMING: 4551800 CPU: 13671.8, 0.00294665/step Wall: 13671.8, 0.00294665/step, 0.366858 hours remaining, 209.628906 MB of memory in use. ENERGY: 4551800 701.5451 2159.3568 1933.0739 112.7935 -206461.5660 17781.5459 0.0000 0.0000 34383.9315 -149389.3194 300.2834 -183773.2508 -149298.7027 299.3760 -81.3548 -51.2770 557504.1139 12.4887 12.5118 PRESSURE: 4552000 279.019 -79.766 33.9532 -79.7652 -52.9668 55.3113 33.9524 55.3107 81.3816 GPRESSURE: 4552000 330.626 -58.5299 -41.1358 -141.92 38.1059 -37.5434 -36.9822 14.7746 36.2669 PRESSAVG: 4552000 64.778 -30.616 13.4769 -30.6161 23.3237 4.76448 13.4769 4.76437 -60.9453 GPRESSAVG: 4552000 65.6847 -30.9999 13.5182 -30.889 22.5263 7.98251 14.0678 3.51727 -60.7597 TIMING: 4552000 CPU: 13672.4, 0.00294232/step Wall: 13672.4, 0.00294232/step, 0.366155 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: 4552000 749.7136 2093.6033 1968.5270 114.1724 -206244.9645 17923.8666 0.0000 0.0000 34202.8105 -149192.2712 298.7017 -183395.0817 -149091.7436 299.0799 102.4779 134.9998 557702.0925 9.0522 9.1504 PRESSURE: 4552200 233.094 122.412 96.7243 122.412 16.0147 14.9569 96.7246 14.9573 100.849 GPRESSURE: 4552200 300.533 57.2789 78.6221 160.449 58.8507 -13.8511 51.2516 -14.008 90.9031 PRESSAVG: 4552200 8.48556 19.8608 -54.615 19.8608 27.2124 27.7336 -54.6148 27.7337 -33.7264 GPRESSAVG: 4552200 8.99207 19.6824 -54.7064 18.4973 27.8791 25.7037 -55.8763 27.8933 -34.1895 TIMING: 4552200 CPU: 13673, 0.00298318/step Wall: 13673, 0.00298318/step, 0.371075 hours remaining, 209.628906 MB of memory in use. ENERGY: 4552200 742.2678 2053.0071 1970.9804 114.4050 -206481.1482 18061.4938 0.0000 0.0000 34255.3963 -149283.5979 299.1609 -183538.9942 -149188.4311 298.8380 116.6523 150.0957 558724.3078 0.6572 0.8939 LDB: ============= START OF LOAD BALANCING ============== 13676.5 LDB: ============== END OF LOAD BALANCING =============== 13676.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13676.5 LDB: ============= START OF LOAD BALANCING ============== 13676.8 LDB: Largest compute 4772 load 0.028627 is 24.2% of average load 0.118080 LDB: Average compute 0.001735 is 1.5% of average load 0.118080 LDB: TIME 13676.8 LOAD: AVG 0.11808 MAX 0.208862 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.465 MB LDB: TIME 13676.8 LOAD: AVG 0.11808 MAX 0.208862 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.523 MB LDB: TIME 13676.8 LOAD: AVG 0.11808 MAX 0.208862 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.523 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13676.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13676.8 PRESSURE: 4552400 -160.393 -6.13984 11.0385 -6.13893 74.0237 -8.18455 11.039 -8.18472 -101.027 GPRESSURE: 4552400 -154.38 17.8216 48.8072 10.5731 104.953 -1.44008 2.1419 62.8335 -49.4323 PRESSAVG: 4552400 -38.2395 22.7381 -52.0178 22.7381 -5.96137 7.791 -52.0177 7.79116 43.4217 GPRESSAVG: 4552400 -38.3616 25.0084 -52.184 22.172 -6.08461 8.07075 -51.5422 9.93298 43.7283 TIMING: 4552400 CPU: 13673.6, 0.00305816/step Wall: 13673.6, 0.00305816/step, 0.380231 hours remaining, 209.492188 MB of memory in use. ENERGY: 4552400 726.6947 2090.8475 1957.9181 113.3267 -205874.2542 17714.6502 0.0000 0.0000 34135.8317 -149134.9854 298.1167 -183270.8171 -149036.8728 298.9991 -62.4653 -32.9533 557459.3011 -0.2597 -0.2393 PRESSURE: 4552600 69.1158 77.6647 70.8025 77.6658 95.9519 -83.5314 70.8037 -83.5311 69.5045 GPRESSURE: 4552600 78.9455 58.7288 126.454 61.156 132.57 -15.0332 85.8723 -109.603 116.115 PRESSAVG: 4552600 -12.6535 -8.27271 -16.7136 -8.27265 8.51739 15.3682 -16.7136 15.3682 -42.3564 GPRESSAVG: 4552600 -13.0362 -9.54884 -15.5483 -6.89458 8.87533 13.8316 -17.6201 14.6618 -42.2647 TIMING: 4552600 CPU: 13674.2, 0.00298259/step Wall: 13674.2, 0.00298259/step, 0.370669 hours remaining, 209.492188 MB of memory in use. ENERGY: 4552600 705.8182 2073.1723 1929.0135 105.2305 -205874.2622 17683.9207 0.0000 0.0000 34121.9763 -149255.1307 297.9957 -183377.1070 -149164.1844 298.8960 78.1907 109.2100 556204.1907 -15.4975 -15.4752 PRESSURE: 4552800 -112.993 48.6071 -97.4943 48.6089 -60.8831 159.404 -97.4952 159.406 297.068 GPRESSURE: 4552800 -26.011 11.7075 -30.5871 44.0367 -38.6474 99.6071 -72.4448 157.68 270.476 PRESSAVG: 4552800 -0.64235 -33.1968 -3.75965 -33.1968 6.70295 -0.788912 -3.75967 -0.78887 65.9733 GPRESSAVG: 4552800 0.0669643 -36.4571 -5.1092 -33.2243 6.20482 1.22699 -2.54371 -1.11552 65.855 TIMING: 4552800 CPU: 13674.8, 0.00297039/step Wall: 13674.8, 0.00297039/step, 0.368988 hours remaining, 209.492188 MB of memory in use. ENERGY: 4552800 737.1304 2045.7735 1945.9140 106.4387 -205906.8566 17627.1916 0.0000 0.0000 34352.6509 -149091.7576 300.0102 -183444.4085 -148995.4445 299.8990 41.0640 68.6059 556623.8317 24.0113 24.0423 PRESSURE: 4553000 68.0667 64.1659 -38.3899 64.1656 84.6275 194.475 -38.3894 194.474 -130.535 GPRESSURE: 4553000 79.0147 111.104 -148.617 75.2455 136.955 146.436 51.5646 142.006 -111.851 PRESSAVG: 4553000 -6.65458 36.6759 29.9189 36.6759 -16.4734 -23.9524 29.9188 -23.9525 30.3969 GPRESSAVG: 4553000 -7.36255 37.019 30.4647 39.0698 -15.9944 -24.9533 29.794 -24.8367 30.9759 TIMING: 4553000 CPU: 13675.4, 0.00295891/step Wall: 13675.4, 0.00295891/step, 0.367398 hours remaining, 209.492188 MB of memory in use. ENERGY: 4553000 718.8635 2063.7968 1956.0457 117.5618 -206411.6949 17860.1949 0.0000 0.0000 34442.1730 -149253.0592 300.7921 -183695.2322 -149154.8121 299.3643 7.3865 34.7062 556924.4773 2.4230 2.5396 PRESSURE: 4553200 153.757 127.608 86.9851 127.607 -146.968 33.9491 86.9863 33.948 -214.371 GPRESSURE: 4553200 200.489 13.4061 47.8754 120.142 -126.589 76.4951 154.568 24.439 -172.269 PRESSAVG: 4553200 41.673 -5.02713 4.59159 -5.02716 27.6973 14.9111 4.59165 14.9111 -27.0026 GPRESSAVG: 4553200 40.9731 -2.9713 6.18579 -7.77971 27.5709 15.4005 4.36578 15.0598 -26.1584 TIMING: 4553200 CPU: 13676, 0.00296842/step Wall: 13676, 0.00296842/step, 0.368414 hours remaining, 209.562500 MB of memory in use. ENERGY: 4553200 703.2967 2030.8419 1934.2260 112.9233 -205709.4436 17459.2831 0.0000 0.0000 34174.9600 -149293.9127 298.4584 -183468.8727 -149202.8859 299.0926 -69.1942 -32.7897 557292.3145 14.1226 14.1285 PRESSURE: 4553400 -61.766 75.5431 39.8525 75.5418 -174.764 76.4674 39.8529 76.4663 28.5076 GPRESSURE: 4553400 -17.1442 7.67689 98.5068 7.70945 -148.129 85.3623 -16.0295 12.6198 57.0095 PRESSAVG: 4553400 39.9306 -23.2959 -22.8439 -23.2958 -48.7843 23.029 -22.8438 23.0289 -8.26586 GPRESSAVG: 4553400 39.9502 -24.0406 -24.1095 -22.8334 -48.8081 22.5814 -23.6234 25.1323 -7.78204 TIMING: 4553400 CPU: 13676.6, 0.00294355/step Wall: 13676.6, 0.00294355/step, 0.365164 hours remaining, 209.562500 MB of memory in use. ENERGY: 4553400 720.4187 2119.4023 1919.7132 119.1839 -206041.7899 17731.1989 0.0000 0.0000 34261.1296 -149170.7433 299.2110 -183431.8730 -149070.8747 299.4192 -69.3409 -36.0880 558772.8443 -5.7065 -5.5466 PRESSURE: 4553600 23.0858 11.1171 38.8854 11.1177 -28.2527 -67.2891 38.8857 -67.2887 -271.569 GPRESSURE: 4553600 52.2268 134.253 -6.14532 -80.3982 31.2895 -78.9396 24.9178 38.2213 -284.656 PRESSAVG: 4553600 24.4834 27.0874 -23.3365 27.0875 14.1276 -22.3619 -23.3364 -22.3618 -26.695 GPRESSAVG: 4553600 25.025 28.2454 -23.2114 27.7224 14.3235 -22.5824 -22.0948 -22.5814 -27.198 TIMING: 4553600 CPU: 13677.2, 0.002942/step Wall: 13677.2, 0.002942/step, 0.364808 hours remaining, 209.562500 MB of memory in use. ENERGY: 4553600 759.2975 2047.6946 1944.1096 106.6077 -206145.3562 17815.2468 0.0000 0.0000 34295.0730 -149177.3271 299.5074 -183472.4001 -149083.0291 299.2406 -92.2454 -67.0466 558436.6334 3.9720 4.0502 PRESSURE: 4553800 -188.161 -66.6742 106.312 -66.6737 4.09796 -229.201 106.311 -229.201 -205.352 GPRESSURE: 4553800 -167.796 -29.7968 181.252 -66.1541 20.4291 -266.124 47.4489 -184.545 -146.204 PRESSAVG: 4553800 -60.714 22.958 5.69707 22.9581 71.9984 5.06024 5.69701 5.06026 -14.0644 GPRESSAVG: 4553800 -60.628 20.6698 6.03813 22.2191 71.4387 5.05634 4.54916 3.35843 -14.0162 TIMING: 4553800 CPU: 13677.8, 0.00298475/step Wall: 13677.8, 0.00298475/step, 0.369944 hours remaining, 209.562500 MB of memory in use. ENERGY: 4553800 698.1733 2067.1612 1942.4303 117.5400 -205860.5736 17530.8626 0.0000 0.0000 34364.1613 -149140.2448 300.1108 -183504.4061 -149037.3876 299.2407 -129.8050 -97.8567 559195.1679 -0.9267 -1.0685 PRESSURE: 4554000 10.9841 38.2938 34.1211 38.295 -37.6311 0.918946 34.1209 0.917083 -62.2678 GPRESSURE: 4554000 29.0263 126.468 37.5508 -76.7615 4.63886 28.3884 15.923 -32.9966 -32.6581 PRESSAVG: 4554000 54.4079 12.1911 -26.0395 12.1911 -4.96408 1.89394 -26.0395 1.894 26.2836 GPRESSAVG: 4554000 53.6935 14.2868 -25.3992 12.3288 -4.10492 4.25673 -25.8161 1.95698 26.1708 TIMING: 4554000 CPU: 13678.4, 0.00297691/step Wall: 13678.4, 0.00297691/step, 0.368806 hours remaining, 209.562500 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: 4554000 688.5210 2071.5504 1922.5448 96.7329 -206079.3416 17817.7657 0.0000 0.0000 34361.0176 -149121.2093 300.0833 -183482.2269 -149029.4297 299.2597 -29.6383 0.3357 558332.1106 25.2425 25.2531 PRESSURE: 4554200 -91.8602 -69.9392 105.796 -69.9392 -6.4674 -106.538 105.796 -106.539 -180.133 GPRESSURE: 4554200 -86.3182 23.6322 221.186 -161.325 15.3439 -71.769 68.2474 -137.867 -122.934 PRESSAVG: 4554200 -39.3123 29.7045 82.3524 29.7044 0.00456013 1.16573 82.3524 1.16577 22.4 GPRESSAVG: 4554200 -39.0285 30.0543 80.8158 30.8555 -1.65228 1.31707 83.6421 1.75189 22.4727 TIMING: 4554200 CPU: 13678.9, 0.00296798/step Wall: 13678.9, 0.00296798/step, 0.367535 hours remaining, 209.562500 MB of memory in use. ENERGY: 4554200 723.6652 2047.8954 1941.6949 106.5577 -205865.7671 17675.6887 0.0000 0.0000 34175.3369 -149194.9283 298.4617 -183370.2652 -149095.3559 299.6682 -92.8201 -64.6361 558818.1150 -5.6359 -6.0694 PRESSURE: 4554400 241.713 -10.6139 39.3511 -10.6134 -43.931 136.186 39.3499 136.186 -118.169 GPRESSURE: 4554400 304.176 -58.4119 151.38 20.2592 -54.2736 172.311 4.06601 155.997 -70.7049 PRESSAVG: 4554400 6.51569 -2.38484 80.907 -2.38488 -12.8557 59.0212 80.907 59.0212 32.5896 GPRESSAVG: 4554400 7.11499 -3.95779 82.3716 -2.62482 -12.4043 56.6901 81.7773 58.8004 31.8168 TIMING: 4554400 CPU: 13679.5, 0.00297141/step Wall: 13679.5, 0.00297141/step, 0.367795 hours remaining, 209.562500 MB of memory in use. ENERGY: 4554400 733.4039 2075.8018 1938.6158 107.9250 -206202.0467 17714.6654 0.0000 0.0000 34306.6232 -149325.0115 299.6083 -183631.6347 -149227.4071 299.3053 26.5375 59.7325 557741.0336 8.7499 8.8425 PRESSURE: 4554600 -213.888 -71.4868 185.8 -71.4864 -223.728 -90.711 185.799 -90.7109 -244.345 GPRESSURE: 4554600 -185.222 -38.0465 176.545 -97.2793 -187.838 -106.063 90.6542 -115.472 -197.277 PRESSAVG: 4554600 -33.1445 26.8115 51.3894 26.8114 19.6251 31.7095 51.3894 31.7095 -20.9194 GPRESSAVG: 4554600 -33.9799 27.7476 49.7167 26.4655 21.8274 33.193 51.3139 30.9909 -22.3601 TIMING: 4554600 CPU: 13680.1, 0.00297155/step Wall: 13680.1, 0.00297155/step, 0.367646 hours remaining, 209.562500 MB of memory in use. ENERGY: 4554600 731.6835 2141.9850 1916.5487 89.7603 -205548.8535 17181.1138 0.0000 0.0000 34244.2017 -149243.5605 299.0631 -183487.7622 -149154.0533 299.1153 -227.3204 -190.1123 558413.2622 -11.4796 -11.5042 PRESSURE: 4554800 -4.31 158.127 -180.351 158.126 87.6314 -55.4759 -180.352 -55.4752 188.688 GPRESSURE: 4554800 6.58871 145.361 -86.6158 158.277 166.543 -126.745 -187.693 -19.829 199.34 PRESSAVG: 4554800 -32.6211 -25.2038 40.0931 -25.2039 18.9922 32.1398 40.0933 32.1398 31.2146 GPRESSAVG: 4554800 -34.0673 -26.918 43.5344 -25.181 17.524 31.5853 38.8848 34.2511 33.754 TIMING: 4554800 CPU: 13680.7, 0.00296921/step Wall: 13680.7, 0.00296921/step, 0.367193 hours remaining, 209.562500 MB of memory in use. ENERGY: 4554800 721.4131 2064.4444 1928.8266 109.0384 -206396.0820 17942.6230 0.0000 0.0000 34290.0776 -149339.6590 299.4638 -183629.7366 -149231.1830 299.3659 90.6698 124.1573 556335.2516 5.8619 5.7369 PRESSURE: 4555000 22.7458 -26.9001 -112.985 -26.9002 8.4313 -217.677 -112.984 -217.679 -183.659 GPRESSURE: 4555000 77.773 -10.5271 -92.3533 -23.1569 15.3799 -260.203 41.1092 -173.975 -148.517 PRESSAVG: 4555000 -2.32928 -4.07576 16.9808 -4.07581 -17.071 13.8576 16.9807 13.8576 13.4481 GPRESSAVG: 4555000 -0.14601 -3.68511 13.7207 -4.22518 -17.0023 13.1123 18.5343 14.0314 11.0717 TIMING: 4555000 CPU: 13681.3, 0.0029818/step Wall: 13681.3, 0.0029818/step, 0.368583 hours remaining, 209.562500 MB of memory in use. ENERGY: 4555000 756.6990 2087.6403 1948.1276 115.2911 -206234.3028 17867.1863 0.0000 0.0000 34138.4282 -149320.9303 298.1394 -183459.3585 -149218.4782 299.3037 -50.8272 -18.4548 558175.5430 -1.9841 -2.0255 PRESSURE: 4555200 -108.957 60.8362 -83.6159 60.8373 82.2436 277.542 -83.6163 277.543 -149.992 GPRESSURE: 4555200 -47.9261 66.5858 -143.143 145.787 53.4931 193.507 -44.8061 252.687 -93.5175 PRESSAVG: 4555200 45.2378 -8.8108 -10.684 -8.8108 10.3248 17.3072 -10.684 17.3072 17.0486 GPRESSAVG: 4555200 44.0978 -7.24595 -10.2182 -9.28325 11.0199 18.1134 -12.837 14.2372 17.6868 TIMING: 4555200 CPU: 13681.9, 0.00297455/step Wall: 13681.9, 0.00297455/step, 0.367522 hours remaining, 209.562500 MB of memory in use. ENERGY: 4555200 701.6178 2080.2951 1944.3260 106.4633 -205741.9269 17524.5144 0.0000 0.0000 34081.9829 -149302.7276 297.6464 -183384.7104 -149208.9674 299.1493 -58.9020 -29.3168 558541.7657 24.2037 24.2682 PRESSURE: 4555400 121.933 43.9423 154.836 43.9429 -288.655 -49.3172 154.836 -49.3165 2.51331 GPRESSURE: 4555400 141.054 -7.29119 156.478 -66.2029 -245.271 25.9661 139.114 -86.2925 26.1059 PRESSAVG: 4555400 56.2918 16.3353 31.414 16.3353 -3.85297 -35.153 31.4139 -35.153 -47.3329 GPRESSAVG: 4555400 56.8491 14.9251 31.061 17.6077 -4.15251 -33.9262 33.1256 -32.7991 -47.7282 TIMING: 4555400 CPU: 13682.5, 0.00297459/step Wall: 13682.5, 0.00297459/step, 0.367362 hours remaining, 209.562500 MB of memory in use. ENERGY: 4555400 762.0446 2063.4826 1956.0472 103.1175 -206033.8742 17672.6315 0.0000 0.0000 34082.9587 -149393.5921 297.6550 -183476.5508 -149294.1579 298.6990 -54.7362 -26.0373 556937.2551 1.7020 1.6561 PRESSURE: 4555600 216.58 156.059 153.811 156.059 54.5283 62.5251 153.811 62.5268 53.9626 GPRESSURE: 4555600 216.511 84.2972 8.80171 189.317 143.429 25.3081 220.161 73.7242 63.1048 PRESSAVG: 4555600 14.1042 31.2867 -6.74222 31.2867 98.1936 -8.10609 -6.74221 -8.10618 -64.8369 GPRESSAVG: 4555600 13.5652 30.7106 -7.02691 29.6487 98.202 -10.2508 -6.22711 -7.81314 -64.3607 TIMING: 4555600 CPU: 13683.1, 0.00296679/step Wall: 13683.1, 0.00296679/step, 0.366234 hours remaining, 209.562500 MB of memory in use. ENERGY: 4555600 745.8121 2082.2036 1944.6240 111.1555 -206243.5452 17936.3732 0.0000 0.0000 34238.5818 -149184.7949 299.0141 -183423.3768 -149085.2021 299.4733 108.3569 141.0148 557481.4278 15.8203 15.8022 PRESSURE: 4555800 126.848 -42.8425 96.9107 -42.8424 181.191 -0.703788 96.9108 -0.70288 -176.013 GPRESSURE: 4555800 161.934 -25.0948 142.364 -57.4003 193.848 -98.2129 160.256 -2.86178 -124.437 PRESSAVG: 4555800 8.97994 49.2602 83.3739 49.2602 -17.7621 -35.1203 83.374 -35.1203 29.9442 GPRESSAVG: 4555800 10.0165 51.5333 85.6179 45.9311 -18.9561 -34.5506 82.3985 -37.1553 29.8477 TIMING: 4555800 CPU: 13683.7, 0.00296163/step Wall: 13683.7, 0.00296163/step, 0.365432 hours remaining, 209.562500 MB of memory in use. ENERGY: 4555800 728.2281 2087.9357 1965.6655 111.8583 -206281.1797 17836.9228 0.0000 0.0000 34305.9098 -149244.6595 299.6020 -183550.5693 -149138.6998 299.8249 44.0085 77.1152 556786.1779 7.0540 6.9694 PRESSURE: 4556000 -24.5966 308.216 -89.4651 308.216 -42.9888 -41.3621 -89.4656 -41.3614 -30.2787 GPRESSURE: 4556000 48.6702 225.101 -95.9904 353.109 -40.5728 -105.63 -66.585 -1.95643 -18.6136 PRESSAVG: 4556000 31.5558 68.3728 21.7607 68.3728 9.85912 -49.3168 21.7607 -49.3169 -19.9627 GPRESSAVG: 4556000 29.5391 66.0138 19.8091 71.0901 11.0335 -49.5808 21.307 -48.6234 -18.745 TIMING: 4556000 CPU: 13684.3, 0.00297009/step Wall: 13684.3, 0.00297009/step, 0.366311 hours remaining, 209.562500 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: 4556000 750.9847 2075.8074 1952.8288 113.6176 -206204.6498 17854.9226 0.0000 0.0000 34186.1498 -149270.3390 298.5561 -183456.4888 -149179.8064 298.8634 -32.6213 -3.5054 557913.5659 7.1508 7.2759 PRESSURE: 4556200 6.82361 -68.546 -54.9193 -68.5453 45.1247 -13.0623 -54.9201 -13.0615 -243.573 GPRESSURE: 4556200 39.524 -84.0803 26.9806 -114.893 87.5694 3.13485 -148.449 -55.8708 -223.419 PRESSAVG: 4556200 -36.8613 11.6825 -25.2475 11.6826 32.347 -51.0144 -25.2476 -51.0144 -8.85742 GPRESSAVG: 4556200 -34.8232 11.7364 -25.436 12.5763 32.0093 -50.6009 -24.1448 -52.2601 -10.1736 TIMING: 4556200 CPU: 13684.9, 0.0029429/step Wall: 13684.9, 0.0029429/step, 0.362794 hours remaining, 209.562500 MB of memory in use. ENERGY: 4556200 762.7161 2057.7520 1942.4445 117.0959 -206457.8063 17860.6202 0.0000 0.0000 34448.4901 -149268.6875 300.8472 -183717.1776 -149173.2592 299.3281 -63.8750 -32.1084 557487.4776 -4.4572 -4.3292 LDB: ============= START OF LOAD BALANCING ============== 13688.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13688.4 LDB: =============== DONE WITH MIGRATION ================ 13688.4 LDB: ============= START OF LOAD BALANCING ============== 13688.7 LDB: Largest compute 4772 load 0.030737 is 26.0% of average load 0.118126 LDB: Average compute 0.001735 is 1.5% of average load 0.118126 LDB: TIME 13688.7 LOAD: AVG 0.118126 MAX 0.210396 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 212.387 MB LDB: TIME 13688.7 LOAD: AVG 0.118126 MAX 0.210396 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 212.457 MB LDB: TIME 13688.7 LOAD: AVG 0.118126 MAX 0.210396 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 212.457 MB LDB: ============== END OF LOAD BALANCING =============== 13688.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13688.7 PRESSURE: 4556400 -18.5083 60.6858 78.4337 60.6863 72.534 -82.5871 78.4336 -82.5883 262.836 GPRESSURE: 4556400 4.95536 -42.5616 157.671 60.4629 118.018 -157.26 130.328 -51.6473 284.416 PRESSAVG: 4556400 18.6471 46.2211 24.6242 46.2211 19.2441 20.7127 24.6243 20.7126 -23.5528 GPRESSAVG: 4556400 17.4766 46.5093 24.5136 45.9601 17.465 20.7065 23.7554 21.3494 -21.7032 TIMING: 4556400 CPU: 13685.5, 0.00303085/step Wall: 13685.5, 0.00303085/step, 0.373468 hours remaining, 207.953125 MB of memory in use. ENERGY: 4556400 738.1384 2063.5057 1967.7547 108.1075 -206157.2091 17832.1276 0.0000 0.0000 34440.4380 -149007.1372 300.7769 -183447.5752 -148906.9862 299.6439 105.6205 135.7965 556644.1041 4.7795 4.4128 PRESSURE: 4556600 -62.4003 150.729 36.5102 150.729 -72.3686 -44.5959 36.5094 -44.5971 -213.905 GPRESSURE: 4556600 -46.8703 155.262 131.816 198.522 -24.8511 9.59622 22.2447 -29.6316 -180.087 PRESSAVG: 4556600 13.7101 59.0787 -27.5967 59.0788 -2.88328 -19.0917 -27.5967 -19.0917 -20.9602 GPRESSAVG: 4556600 14.754 60.0428 -26.7034 60.2049 -0.844815 -18.5899 -27.5117 -20.0713 -24.0508 TIMING: 4556600 CPU: 13686.1, 0.00296875/step Wall: 13686.1, 0.00296875/step, 0.365651 hours remaining, 207.953125 MB of memory in use. ENERGY: 4556600 771.1128 2057.5955 1930.7082 117.6433 -205993.2533 17670.2695 0.0000 0.0000 34586.8770 -148859.0470 302.0558 -183445.9240 -148762.8717 300.2662 -116.2247 -83.9362 558105.2872 -3.3778 -3.3805 PRESSURE: 4556800 -73.5681 49.1261 1.36224 49.1257 -15.7387 -201.695 1.3617 -201.697 -118.028 GPRESSURE: 4556800 -77.9898 8.31811 -57.4048 57.0979 53.0599 -195.206 -28.7039 -137.313 -85.6392 PRESSAVG: 4556800 33.0698 24.5726 -27.1354 24.5726 26.0974 4.15696 -27.1354 4.15706 -15.7083 GPRESSAVG: 4556800 31.7568 25.2995 -29.6106 22.6857 26.493 4.10845 -26.3983 4.94573 -14.8628 TIMING: 4556800 CPU: 13686.7, 0.00297515/step Wall: 13686.7, 0.00297515/step, 0.366274 hours remaining, 207.953125 MB of memory in use. ENERGY: 4556800 783.2284 2101.3276 1920.8936 105.4358 -205772.6906 17723.2045 0.0000 0.0000 34319.2978 -148819.3030 299.7190 -183138.6008 -148719.3478 300.5533 -69.1116 -36.8563 558431.6361 14.4863 14.4623 PRESSURE: 4557000 -182.726 -34.9551 62.7597 -34.9557 -48.8928 -50.7167 62.7604 -50.7165 9.32161 GPRESSURE: 4557000 -129.163 6.49555 4.87114 42.6034 -5.34347 -107.029 63.0211 -24.7067 7.58051 PRESSAVG: 4557000 -0.471684 30.838 -77.1315 30.838 -14.7335 -1.02396 -77.1315 -1.024 15.8719 GPRESSAVG: 4557000 -0.124878 28.5858 -75.7924 33.0983 -15.3264 -2.10904 -77.5546 0.0555557 16.0032 TIMING: 4557000 CPU: 13687.3, 0.00295375/step Wall: 13687.3, 0.00295375/step, 0.363476 hours remaining, 207.953125 MB of memory in use. ENERGY: 4557000 766.5853 2068.2477 1911.4688 113.9751 -206112.8950 17700.2622 0.0000 0.0000 34496.6896 -149055.6664 301.2682 -183552.3559 -148955.5530 300.4318 -74.0991 -42.3088 557684.5239 0.2222 0.1840 PRESSURE: 4557200 110.031 -75.8384 -140.552 -75.8377 170.413 28.3009 -140.553 28.3019 -63.2957 GPRESSURE: 4557200 106.139 -21.5899 -86.3549 -49.8152 191.804 45.5416 -9.76317 30.5366 14.5249 PRESSAVG: 4557200 26.3864 0.392476 3.20947 0.39232 -28.5186 -2.37623 3.20943 -2.37631 9.28007 GPRESSAVG: 4557200 26.7661 0.814979 3.49016 -0.636611 -29.382 -1.83261 2.60176 -1.25799 9.68812 TIMING: 4557200 CPU: 13687.9, 0.00295514/step Wall: 13687.9, 0.00295514/step, 0.363482 hours remaining, 207.953125 MB of memory in use. ENERGY: 4557200 738.1248 2118.2547 1943.7147 98.6695 -206245.1746 17844.7207 0.0000 0.0000 34312.0999 -149189.5903 299.6561 -183501.6902 -149097.0371 300.1672 72.3826 104.1558 555739.4049 2.3826 2.3574 PRESSURE: 4557400 208.197 25.9117 50.6081 25.9114 74.684 -15.3478 50.6078 -15.3486 -254.107 GPRESSURE: 4557400 269.016 103.803 50.7675 49.7536 92.7734 -9.86939 -49.9362 51.3792 -239.384 PRESSAVG: 4557400 15.7325 -24.7426 40.4325 -24.7427 -0.993233 36.7769 40.4326 36.7768 -11.7653 GPRESSAVG: 4557400 16.1565 -22.7183 40.7805 -24.9197 -1.52366 35.4348 40.7132 34.9208 -11.3901 TIMING: 4557400 CPU: 13688.5, 0.00297356/step Wall: 13688.5, 0.00297356/step, 0.365583 hours remaining, 207.953125 MB of memory in use. ENERGY: 4557400 740.0827 2070.8581 1933.4693 125.4131 -206499.3412 17930.4067 0.0000 0.0000 34379.4053 -149319.7061 300.2439 -183699.1114 -149226.0255 299.2491 9.5912 40.8018 555282.2382 0.9913 1.0809 PRESSURE: 4557600 13.9777 -19.5843 34.5843 -19.5824 169.221 105.313 34.5828 105.314 96.2399 GPRESSURE: 4557600 49.751 32.3241 70.0081 -50.5624 182.309 89.244 -0.326724 103.411 138.156 PRESSAVG: 4557600 26.1813 12.9256 13.3025 12.9256 1.52409 -42.0913 13.3024 -42.0913 23.5279 GPRESSAVG: 4557600 24.534 13.1343 10.9153 13.4222 1.80547 -40.5441 13.934 -41.5132 24.6381 TIMING: 4557600 CPU: 13689.1, 0.00299547/step Wall: 13689.1, 0.00299547/step, 0.36811 hours remaining, 207.953125 MB of memory in use. ENERGY: 4557600 725.5871 2075.0111 1952.6390 104.0848 -206485.5851 17949.1392 0.0000 0.0000 34264.9336 -149414.1903 299.2442 -183679.1239 -149316.8290 298.4426 93.1462 123.4050 557265.4058 17.0778 16.9925 PRESSURE: 4557800 47.7602 -64.9099 145.228 -64.9095 -173.576 7.35689 145.228 7.35655 -222.855 GPRESSURE: 4557800 76.3254 -161.553 132.9 -88.0402 -105.217 -7.31496 198.673 -32.2173 -221.306 PRESSAVG: 4557800 23.4323 -50.1336 47.7763 -50.1337 -28.4454 -17.7943 47.7763 -17.7943 12.2357 GPRESSAVG: 4557800 24.5061 -51.4992 49.3544 -49.6293 -27.5993 -19.2517 46.8618 -17.7153 10.647 TIMING: 4557800 CPU: 13689.7, 0.00301573/step Wall: 13689.7, 0.00301573/step, 0.370432 hours remaining, 207.953125 MB of memory in use. ENERGY: 4557800 727.8561 2056.0266 1977.4009 114.8773 -206213.5039 17598.9921 0.0000 0.0000 34149.7318 -149588.6192 298.2381 -183738.3509 -149486.9407 298.2313 -116.2235 -83.3991 556496.3030 2.4076 2.5179 PRESSURE: 4558000 -111.033 -73.5906 -21.5363 -73.5916 -38.6695 111.089 -21.5372 111.089 -15.0255 GPRESSURE: 4558000 -30.5691 -2.18161 23.9398 -102.233 -51.0784 62.8198 -10.6992 183.742 27.327 PRESSAVG: 4558000 50.967 -16.0996 -4.99623 -16.0997 -20.2482 48.9733 -4.99627 48.9733 -12.0115 GPRESSAVG: 4558000 50.5194 -16.6271 -3.16904 -16.0055 -20.507 50.6524 -6.16856 47.3688 -11.1258 TIMING: 4558000 CPU: 13690.3, 0.00296907/step Wall: 13690.3, 0.00296907/step, 0.364536 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: 4558000 731.4248 2047.6549 1964.4998 107.5507 -206429.0563 17888.4512 0.0000 0.0000 34052.0785 -149637.3963 297.3853 -183689.4749 -149538.6220 298.2800 -54.9094 -18.1069 557574.9754 6.2358 6.2955 PRESSURE: 4558200 -204.594 -134.734 31.5593 -134.734 -254.56 28.8372 31.5591 28.8363 -224.915 GPRESSURE: 4558200 -161.073 -171.824 12.7876 -133.382 -247.019 -49.5754 36.0431 75.4443 -178.34 PRESSAVG: 4558200 19.8254 -32.1708 -6.10705 -32.1707 -5.36803 37.8727 -6.10709 37.8727 2.5081 GPRESSAVG: 4558200 19.3027 -32.0218 -7.20609 -33.0969 -4.38176 35.1419 -5.25737 38.8795 2.43765 TIMING: 4558200 CPU: 13690.8, 0.00296381/step Wall: 13690.8, 0.00296381/step, 0.363725 hours remaining, 207.953125 MB of memory in use. ENERGY: 4558200 751.7552 2083.0379 1959.6519 121.6838 -206470.4982 17679.1834 0.0000 0.0000 34158.2119 -149716.9740 298.3122 -183875.1859 -149619.9962 298.0530 -228.0234 -195.4773 557593.0717 5.6552 5.7862 PRESSURE: 4558400 -254.566 -64.2595 150.339 -64.2609 -148.064 -205.449 150.338 -205.45 -166.524 GPRESSURE: 4558400 -177.309 -11.6643 44.6263 -99.4014 -160.63 -221.213 166.549 -161.03 -132.308 PRESSAVG: 4558400 -66.1233 -44.0684 39.5401 -44.0683 9.59433 -11.4375 39.5401 -11.4375 33.5028 GPRESSAVG: 4558400 -65.8715 -45.347 37.5945 -43.1217 9.20777 -10.0703 40.0452 -11.9044 33.4121 TIMING: 4558400 CPU: 13691.4, 0.00298499/step Wall: 13691.4, 0.00298499/step, 0.366159 hours remaining, 207.953125 MB of memory in use. ENERGY: 4558400 751.0417 2149.4412 1927.2159 121.5513 -206348.5096 17527.7476 0.0000 0.0000 34116.7536 -149754.7582 297.9501 -183871.5118 -149660.2463 297.4750 -189.7181 -156.7491 556653.7564 -7.6754 -7.7505 PRESSURE: 4558600 142.849 -53.4288 65.2371 -53.4267 209.195 -117.773 65.236 -117.773 -69.8259 GPRESSURE: 4558600 161.138 -91.8091 58.8305 -25.5017 246.684 -68.7275 122.748 -182.113 -18.6878 PRESSAVG: 4558600 -18.2676 -16.4783 19.2356 -16.4783 44.7831 37.5676 19.2356 37.5676 -27.4227 GPRESSAVG: 4558600 -17.9352 -15.2585 22.5962 -17.5263 44.498 37.8341 17.3849 34.9898 -27.9232 TIMING: 4558600 CPU: 13692, 0.00295495/step Wall: 13692, 0.00295495/step, 0.36231 hours remaining, 207.953125 MB of memory in use. ENERGY: 4558600 716.0063 2078.4818 1935.8439 110.0753 -206451.5834 17817.7999 0.0000 0.0000 33935.7099 -149857.6663 296.3690 -183793.3761 -149759.0866 297.6695 94.0727 129.7114 556131.4697 -0.3024 -0.4534 PRESSURE: 4558800 -181.066 -115.92 -16.8084 -115.92 -76.7508 -76.9702 -16.8091 -76.9689 13.9754 GPRESSURE: 4558800 -181.935 -113.775 -61.4397 -101.494 -17.9749 -65.4885 -68.1614 -114.747 57.1024 PRESSAVG: 4558800 -46.5429 -52.6316 -59.5894 -52.6316 44.2187 6.46266 -59.5894 6.46266 39.329 GPRESSAVG: 4558800 -46.1135 -51.5332 -60.7399 -52.8055 43.6728 3.72495 -57.4403 10.4037 40.4063 TIMING: 4558800 CPU: 13692.6, 0.0029529/step Wall: 13692.6, 0.0029529/step, 0.361894 hours remaining, 207.953125 MB of memory in use. ENERGY: 4558800 775.5496 2065.9124 1958.5615 107.5699 -206619.7368 17892.7641 0.0000 0.0000 34198.4448 -149620.9345 298.6635 -183819.3793 -149524.2306 298.1413 -81.2804 -47.6024 557008.0183 12.3349 12.6552 PRESSURE: 4559000 245.364 16.872 -17.2989 16.8717 -45.808 -68.8957 -17.3004 -68.8937 -34.5572 GPRESSURE: 4559000 326.171 12.6126 -21.455 18.2239 38.4187 -54.7488 19.3408 -111.85 -90.4652 PRESSAVG: 4559000 20.0959 -15.7024 13.0898 -15.7023 68.9213 22.1255 13.0898 22.1256 -42.5601 GPRESSAVG: 4559000 19.493 -16.5851 11.5863 -15.8259 69.9059 25.359 11.1224 20.5153 -43.0163 TIMING: 4559000 CPU: 13693.2, 0.00295417/step Wall: 13693.2, 0.00295417/step, 0.361886 hours remaining, 207.953125 MB of memory in use. ENERGY: 4559000 748.2760 2116.4142 1939.7332 108.2664 -206756.4291 18045.9617 0.0000 0.0000 34090.7281 -149707.0496 297.7228 -183797.7776 -149607.9368 298.5388 54.9997 91.3750 556050.3276 15.4857 15.4609 PRESSURE: 4559200 -97.9911 140.316 114.512 140.318 -144.469 111.538 114.512 111.539 -292.738 GPRESSURE: 4559200 -83.3581 191.356 118.366 109.467 -139.872 137.195 135.769 60.3947 -219.219 PRESSAVG: 4559200 31.4396 -4.96588 4.25956 -4.96583 2.72499 2.93485 4.25956 2.93478 -64.0813 GPRESSAVG: 4559200 31.0788 -4.77914 6.23039 -3.93059 3.80643 0.414314 5.92257 4.07147 -64.2775 TIMING: 4559200 CPU: 13693.8, 0.00296167/step Wall: 13693.8, 0.00296167/step, 0.362641 hours remaining, 207.953125 MB of memory in use. ENERGY: 4559200 763.3571 2079.1910 1938.4982 113.4289 -206628.1305 17701.9273 0.0000 0.0000 34314.0580 -149717.6700 299.6732 -184031.7280 -149614.1517 298.3035 -178.3994 -147.4833 557147.3491 -9.9723 -9.7974 PRESSURE: 4559400 15.8575 48.9093 25.031 48.9083 72.3782 66.8891 25.0306 66.8886 40.5345 GPRESSURE: 4559400 83.5531 6.48661 16.0073 26.8336 87.8071 62.1275 -17.339 45.2905 59.9347 PRESSAVG: 4559400 53.0255 82.9438 25.3067 82.9438 -48.1776 -32.1499 25.3065 -32.15 9.47945 GPRESSAVG: 4559400 52.8033 82.5553 23.6994 81.6952 -48.1098 -29.9483 23.1496 -34.3938 9.75897 TIMING: 4559400 CPU: 13694.4, 0.00294602/step Wall: 13694.4, 0.00294602/step, 0.36056 hours remaining, 207.953125 MB of memory in use. ENERGY: 4559400 734.1313 2082.4645 1945.7138 112.8628 -206900.7355 18148.8747 0.0000 0.0000 34110.0879 -149766.6006 297.8919 -183876.6885 -149670.8344 298.3159 42.9234 77.0983 557279.4289 4.7758 4.8175 PRESSURE: 4559600 168.181 2.45885 -55.6815 2.4596 -145.945 -129.284 -55.6815 -129.284 -283.383 GPRESSURE: 4559600 161.564 84.0675 -9.38509 -46.7367 -129.42 -201.637 -5.23037 -78.0303 -203.21 PRESSAVG: 4559600 -2.21166 24.5473 40.5742 24.5473 14.1466 28.4108 40.5742 28.4108 -1.80772 GPRESSAVG: 4559600 -2.57167 25.2036 41.9253 26.6478 12.9175 27.1177 42.3765 29.668 -0.382202 TIMING: 4559600 CPU: 13695, 0.0029557/step Wall: 13695, 0.0029557/step, 0.361581 hours remaining, 207.953125 MB of memory in use. ENERGY: 4559600 781.7554 2012.9400 1929.6104 121.2567 -206526.4484 17756.3514 0.0000 0.0000 34244.3167 -149680.2177 299.0641 -183924.5344 -149583.6101 298.1949 -87.0489 -57.0219 556904.8595 3.3757 3.3212 PRESSURE: 4559800 -35.692 -152.262 103.077 -152.263 294.021 -142.621 103.077 -142.622 12.9419 GPRESSURE: 4559800 21.8217 -117.631 19.3693 -209.096 329.854 -171.125 157.995 -66.0905 13.7222 PRESSAVG: 4559800 2.037 5.86324 20.5695 5.86324 12.1747 -10.6676 20.5694 -10.6676 -24.2834 GPRESSAVG: 4559800 3.05751 5.78265 20.934 3.67501 13.282 -11.6998 21.506 -8.72151 -25.64 TIMING: 4559800 CPU: 13695.6, 0.0029589/step Wall: 13695.6, 0.0029589/step, 0.361808 hours remaining, 207.953125 MB of memory in use. ENERGY: 4559800 737.1862 2070.6688 1961.5014 101.1381 -206373.9509 17983.7276 0.0000 0.0000 33841.7226 -149678.0061 295.5482 -183519.7287 -149583.5849 298.1021 90.4236 121.7994 557067.5324 -3.3572 -3.1002 PRESSURE: 4560000 -58.8897 37.8929 179.971 37.8932 -270.387 41.5968 179.972 41.5969 -194.823 GPRESSURE: 4560000 16.9256 16.8566 116.677 19.5147 -241.75 50.9912 177.912 55.481 -197.174 PRESSAVG: 4560000 43.9992 20.2581 61.3109 20.2581 -5.63095 3.48759 61.311 3.48746 -45.992 GPRESSAVG: 4560000 45.1925 17.3577 59.5749 23.7297 -6.82061 5.03847 60.8525 2.17945 -46.5147 TIMING: 4560000 CPU: 13696.2, 0.00296414/step Wall: 13696.2, 0.00296414/step, 0.362284 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: 4560000 774.1467 2043.3465 1920.2067 114.4118 -206377.9122 17756.2199 0.0000 0.0000 34108.3917 -149661.1888 297.8771 -183769.5805 -149556.7216 297.6898 -174.6997 -140.6659 558069.6251 -2.5412 -2.7143 PRESSURE: 4560200 -119.772 -43.1725 -113.72 -43.1729 -29.0679 -84.0767 -113.719 -84.0782 -96.2169 GPRESSURE: 4560200 -149.739 -2.28427 -122.118 -70.1553 26.9309 -131.959 -99.3397 -13.5726 -30.6549 PRESSAVG: 4560200 93.7268 25.993 35.0107 25.993 -64.3812 -33.6112 35.0108 -33.6113 21.2962 GPRESSAVG: 4560200 92.7854 26.1462 37.5463 26.1799 -63.9927 -33.42 35.2642 -35.3724 22.0173 TIMING: 4560200 CPU: 13696.8, 0.00295552/step Wall: 13696.8, 0.00295552/step, 0.361066 hours remaining, 207.953125 MB of memory in use. ENERGY: 4560200 729.8151 2093.0579 1937.8053 108.8539 -206321.4864 17620.7293 0.0000 0.0000 34121.6367 -149709.5882 297.9927 -183831.2249 -149612.3017 297.9290 -81.6857 -51.1543 556758.3766 16.8806 16.9367 LDB: ============= START OF LOAD BALANCING ============== 13700.3 LDB: ============== END OF LOAD BALANCING =============== 13700.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13700.3 LDB: ============= START OF LOAD BALANCING ============== 13700.6 LDB: Largest compute 4772 load 0.031159 is 26.4% of average load 0.118140 LDB: Average compute 0.001734 is 1.5% of average load 0.118140 LDB: TIME 13700.6 LOAD: AVG 0.11814 MAX 0.209061 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.777 MB LDB: TIME 13700.6 LOAD: AVG 0.11814 MAX 0.209061 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.785 MB LDB: TIME 13700.6 LOAD: AVG 0.11814 MAX 0.209061 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.785 MB LDB: ============== END OF LOAD BALANCING =============== 13700.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13700.6 PRESSURE: 4560400 -289.084 -107.797 -14.8585 -107.797 -264.705 55.417 -14.8583 55.4164 -89.2887 GPRESSURE: 4560400 -277.341 -23.7093 -31.0424 -75.8049 -193.149 63.2185 -27.1041 66.4321 -77.1375 PRESSAVG: 4560400 36.7109 -25.1497 -19.167 -25.1498 -56.4803 11.853 -19.1669 11.853 26.8894 GPRESSAVG: 4560400 36.6843 -23.0241 -19.3526 -27.8743 -56.114 9.69515 -20.032 15.4479 25.9628 TIMING: 4560400 CPU: 13697.4, 0.00303039/step Wall: 13697.4, 0.00303039/step, 0.370045 hours remaining, 208.722656 MB of memory in use. ENERGY: 4560400 778.9271 2057.9106 1919.3707 115.8848 -206343.9412 17595.2675 0.0000 0.0000 34328.4342 -149548.1464 299.7988 -183876.5806 -149457.7751 298.3030 -214.3593 -182.5424 557191.5576 2.3733 2.1777 PRESSURE: 4560600 -103.247 132.892 -223.201 132.892 -23.6661 -27.0463 -223.201 -27.0467 -60.3116 GPRESSURE: 4560600 -93.4039 80.6937 -216.146 170.717 22.3123 -4.14887 -149.959 69.4823 -15.1902 PRESSAVG: 4560600 9.19127 22.5312 -30.7213 22.531 -15.5637 18.6408 -30.7214 18.6407 -36.3132 GPRESSAVG: 4560600 8.20696 20.3577 -31.5432 23.9819 -15.9742 20.1674 -29.1915 17.8072 -35.0251 TIMING: 4560600 CPU: 13698, 0.0030066/step Wall: 13698, 0.0030066/step, 0.366972 hours remaining, 208.722656 MB of memory in use. ENERGY: 4560600 752.8974 2022.4689 1979.5696 118.3284 -206262.8113 17760.1599 0.0000 0.0000 34244.5342 -149384.8529 299.0660 -183629.3871 -149292.3520 298.7342 -62.4082 -28.7606 557366.1243 -14.2285 -14.2641 PRESSURE: 4560800 158.687 75.5133 -17.6662 75.5125 -10.8375 -87.5943 -17.6665 -87.5939 56.8439 GPRESSURE: 4560800 193.448 70.1444 59.7427 58.4241 49.7308 -163.713 13.1169 -56.2816 56.4919 PRESSAVG: 4560800 -20.5055 15.4478 -62.0243 15.4479 68.1896 -24.6743 -62.0242 -24.6742 -36.068 GPRESSAVG: 4560800 -18.4154 16.3636 -63.0102 14.3749 67.6686 -22.3253 -61.999 -27.1595 -37.8216 TIMING: 4560800 CPU: 13698.6, 0.00295777/step Wall: 13698.6, 0.00295777/step, 0.360848 hours remaining, 208.722656 MB of memory in use. ENERGY: 4560800 780.4358 2084.7814 1923.6615 109.4898 -206496.6450 17931.7625 0.0000 0.0000 34158.0121 -149508.5019 298.3104 -183666.5140 -149415.3943 298.7819 68.2312 99.8901 556181.3512 3.8720 3.8105 PRESSURE: 4561000 -198.113 79.2316 -156.619 79.2327 3.92042 -129.224 -156.62 -129.224 -147.314 GPRESSURE: 4561000 -155.689 24.4082 -203.643 125.68 68.1899 -188.528 -104.667 -128.306 -157.966 PRESSAVG: 4561000 2.30633 -1.46954 40.3107 -1.4695 41.0261 39.7967 40.3108 39.7967 14.9098 GPRESSAVG: 4561000 2.55413 -1.01818 40.1138 -0.853886 40.2421 37.2256 41.1628 41.4753 15.1702 TIMING: 4561000 CPU: 13699.2, 0.00295629/step Wall: 13699.2, 0.00295629/step, 0.360503 hours remaining, 208.722656 MB of memory in use. ENERGY: 4561000 763.0073 2069.7312 1937.2416 130.4005 -206237.7806 17682.2273 0.0000 0.0000 34139.1866 -149515.9862 298.1460 -183655.1728 -149415.0395 298.8807 -113.8358 -81.8219 557332.2922 19.4141 19.3222 PRESSURE: 4561200 29.9837 25.0984 53.0292 25.1001 -193.908 -223.478 53.0283 -223.478 211.256 GPRESSURE: 4561200 46.5031 68.3307 77.9688 87.6557 -143.786 -243.914 99.2268 -153.156 223.688 PRESSAVG: 4561200 -2.32564 16.7888 -30.0569 16.7888 13.1057 -3.08656 -30.057 -3.08644 -21.5397 GPRESSAVG: 4561200 -4.30561 18.2202 -28.9888 14.7746 14.5573 -2.11576 -32.8271 -2.61642 -21.1028 TIMING: 4561200 CPU: 13699.7, 0.00294982/step Wall: 13699.7, 0.00294982/step, 0.35955 hours remaining, 208.722656 MB of memory in use. ENERGY: 4561200 737.4690 2074.7336 1952.9974 118.2095 -206033.6299 17632.8400 0.0000 0.0000 34091.7054 -149425.6749 297.7313 -183517.3804 -149336.2866 298.3419 15.7772 42.1349 556542.7767 -3.5866 -3.6170 PRESSURE: 4561400 -91.5188 -149.416 18.6488 -149.417 -258.445 -91.5423 18.6481 -91.5419 -115.73 GPRESSURE: 4561400 -64.8853 -125.916 48.8354 -203.158 -257.979 -28.5437 -36.3525 -106.868 -46.1146 PRESSAVG: 4561400 7.00333 9.80617 1.57535 9.80611 -27.7672 18.0188 1.57532 18.0188 66.2269 GPRESSAVG: 4561400 8.72157 9.50247 2.32149 11.4651 -29.4473 16.9328 2.49108 18.3156 66.1593 TIMING: 4561400 CPU: 13700.3, 0.00296291/step Wall: 13700.3, 0.00296291/step, 0.360981 hours remaining, 208.722656 MB of memory in use. ENERGY: 4561400 744.5583 2094.8522 1943.7205 108.6735 -206197.0634 17553.6041 0.0000 0.0000 34404.4281 -149347.2267 300.4624 -183751.6548 -149251.1191 298.9400 -155.2314 -122.9931 556152.8383 15.1544 15.1445 PRESSURE: 4561600 145.775 -115.882 81.2441 -115.881 126.452 -16.6036 81.2432 -16.6035 348.363 GPRESSURE: 4561600 158.347 -238.856 65.0566 -43.5071 184.642 4.14942 71.1595 13.9994 376.13 PRESSAVG: 4561600 -37.2978 -3.83405 46.34 -3.83408 -17.357 -4.53493 46.34 -4.53498 9.96678 GPRESSAVG: 4561600 -38.2499 -4.25412 45.6675 -4.57958 -16.4704 -3.95514 46.4652 -5.21261 9.81824 TIMING: 4561600 CPU: 13700.9, 0.00295096/step Wall: 13700.9, 0.00295096/step, 0.359361 hours remaining, 208.925781 MB of memory in use. ENERGY: 4561600 755.1627 2067.1795 1940.2725 121.9594 -206442.2225 18070.8302 0.0000 0.0000 33939.4303 -149547.3880 296.4015 -183486.8182 -149452.4196 298.7353 206.8635 239.7065 554468.8945 -14.8960 -14.9674 PRESSURE: 4561800 455.769 37.3303 -88.042 37.3304 45.7763 -120.6 -88.0431 -120.6 129.938 GPRESSURE: 4561800 512.658 55.743 -118.86 90.7654 84.3784 -153.658 -64.0816 -93.1584 133.54 PRESSAVG: 4561800 41.2484 2.92214 25.2713 2.92211 -25.6754 -12.8301 25.2713 -12.83 -24.9725 GPRESSAVG: 4561800 41.4901 3.66615 25.9183 2.01413 -25.2816 -11.0674 23.4154 -12.3054 -25.7254 TIMING: 4561800 CPU: 13701.5, 0.00297693/step Wall: 13701.5, 0.00297693/step, 0.362359 hours remaining, 208.925781 MB of memory in use. ENERGY: 4561800 723.1359 2076.4747 1951.5072 108.4353 -206437.2101 17936.5129 0.0000 0.0000 34312.0948 -149329.0493 299.6561 -183641.1441 -149229.6729 297.7929 210.4943 243.5255 555221.5786 -3.1331 -3.1723 PRESSURE: 4562000 -269.816 205.154 -155.329 205.153 -201.505 -114.198 -155.329 -114.2 -69.8051 GPRESSURE: 4562000 -226.329 234.882 -137.885 134.96 -177.317 -127.51 -147.853 -124.331 -47.4503 PRESSAVG: 4562000 45.8602 33.7835 -32.8622 33.7834 57.951 0.569211 -32.8622 0.569189 -36.4327 GPRESSAVG: 4562000 46.2762 33.5669 -32.9513 33.4938 57.3656 -1.05513 -31.3257 -0.450926 -36.5324 TIMING: 4562000 CPU: 13702.1, 0.0029745/step Wall: 13702.1, 0.0029745/step, 0.361897 hours remaining, 208.925781 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: 4562000 767.9302 2129.5831 1944.9024 129.6257 -205743.9708 17315.8770 0.0000 0.0000 34162.2869 -149293.7655 298.3477 -183456.0523 -149195.8296 298.9680 -180.3754 -150.3653 557255.5940 22.4595 22.3698 PRESSURE: 4562200 -352.846 119.571 -20.0445 119.572 -82.4572 46.104 -20.0436 46.1043 -114.548 GPRESSURE: 4562200 -332.036 86.705 -14.5159 75.7587 -44.9536 45.9955 -49.8771 -7.20386 -73.2324 PRESSAVG: 4562200 -52.5858 34.1017 5.11231 34.1016 16.2474 -8.55282 5.11234 -8.55287 -20.426 GPRESSAVG: 4562200 -53.212 36.7094 4.79186 34.0238 16.526 -8.50889 6.23876 -7.87408 -19.8145 TIMING: 4562200 CPU: 13702.7, 0.00296254/step Wall: 13702.7, 0.00296254/step, 0.360277 hours remaining, 208.925781 MB of memory in use. ENERGY: 4562200 741.3768 2058.3028 1991.6018 126.1844 -206442.8978 17800.5367 0.0000 0.0000 34207.2599 -149517.6353 298.7405 -183724.8952 -149425.0327 298.5336 -183.2839 -150.0740 557643.8422 -18.9215 -18.8335 PRESSURE: 4562400 164.421 48.1902 -44.9521 48.1894 91.5903 100.992 -44.9517 100.991 230.13 GPRESSURE: 4562400 214.861 163.846 57.4719 -24.8469 108.34 52.6808 -84.4049 200.186 245.746 PRESSAVG: 4562400 -52.1894 -30.1564 -69.7274 -30.1563 -5.07309 75.9474 -69.7274 75.9472 28.4746 GPRESSAVG: 4562400 -52.9018 -32.2437 -69.6143 -29.2569 -5.12735 76.7527 -71.5687 76.219 28.8794 TIMING: 4562400 CPU: 13703.3, 0.00294774/step Wall: 13703.3, 0.00294774/step, 0.358315 hours remaining, 209.128906 MB of memory in use. ENERGY: 4562400 722.4404 2064.0527 1977.6182 101.5341 -206437.7621 17984.2116 0.0000 0.0000 33904.9280 -149682.9772 296.1002 -183587.9051 -149594.7641 297.6897 162.0471 189.6489 556846.8441 -9.5960 -9.7166 PRESSURE: 4562600 -277.655 -122.628 58.4273 -122.628 -406.421 37.8395 58.4266 37.8405 17.3935 GPRESSURE: 4562600 -266.848 -145.336 75.8179 -67.3109 -343.961 15.1263 4.20065 -16.0639 45.9328 PRESSAVG: 4562600 14.0884 -10.1264 -28.8363 -10.1264 -60.8216 -11.6372 -28.8364 -11.6373 59.1061 GPRESSAVG: 4562600 14.2982 -10.2512 -29.231 -10.6452 -61.4961 -12.2735 -28.5496 -12.3329 59.5721 TIMING: 4562600 CPU: 13703.9, 0.00295839/step Wall: 13703.9, 0.00295839/step, 0.359444 hours remaining, 209.128906 MB of memory in use. ENERGY: 4562600 728.8273 2136.9656 1960.0668 108.3931 -206273.6577 17621.1062 0.0000 0.0000 34053.2574 -149665.0412 297.3956 -183718.2986 -149569.1468 297.9370 -222.2276 -188.2921 559105.3990 4.1243 4.1247 PRESSURE: 4562800 97.5368 -38.5169 -105.608 -38.5173 -306.691 98.8884 -105.607 98.8877 78.0041 GPRESSURE: 4562800 115.197 21.8054 -64.504 -40.6714 -266.526 16.7797 -109.839 28.4735 112.869 PRESSAVG: 4562800 23.0898 6.12158 -7.15498 6.12163 -61.5277 -20.5538 -7.15513 -20.5538 82.3746 GPRESSAVG: 4562800 23.7153 5.99611 -7.456 6.23266 -61.6841 -20.62 -7.66495 -19.6437 82.0185 TIMING: 4562800 CPU: 13704.5, 0.00296709/step Wall: 13704.5, 0.00296709/step, 0.360336 hours remaining, 209.128906 MB of memory in use. ENERGY: 4562800 742.0422 2164.5727 1935.4301 109.3898 -206529.4426 17749.2215 0.0000 0.0000 34193.5216 -149635.2648 298.6205 -183828.7864 -149536.1691 297.8835 -43.7166 -12.8201 556763.0916 14.6456 14.6832 PRESSURE: 4563000 -102.912 -44.6276 22.0144 -44.6274 -154.521 36.3482 22.0137 36.3497 109.652 GPRESSURE: 4563000 -104.996 -10.5507 37.0661 -125.623 -114.534 98.066 60.6369 12.9404 161.009 PRESSAVG: 4563000 9.39973 -26.5254 -32.795 -26.5253 -50.7028 35.021 -32.795 35.021 29.9144 GPRESSAVG: 4563000 9.48017 -26.8589 -34.7216 -24.4809 -51.2874 34.152 -30.0604 33.9557 31.1539 TIMING: 4563000 CPU: 13705.1, 0.00298867/step Wall: 13705.1, 0.00298867/step, 0.362792 hours remaining, 209.128906 MB of memory in use. ENERGY: 4563000 762.8922 2065.0701 1962.4501 95.4911 -206662.5584 17916.5591 0.0000 0.0000 34327.8389 -149532.2568 299.7936 -183860.0957 -149438.6061 298.0450 -49.2604 -19.5068 557454.4670 -3.7962 -3.5511 PRESSURE: 4563200 -110.472 -12.5787 -25.2157 -12.5787 -56.8376 -9.50443 -25.2156 -9.50605 10.2786 GPRESSURE: 4563200 -67.1514 -46.5803 -40.331 -77.1249 -28.0251 -10.1219 38.7265 -8.93371 44.93 PRESSAVG: 4563200 31.3525 -46.3647 -42.6261 -46.3647 23.0811 -1.85584 -42.6261 -1.85583 -45.8785 GPRESSAVG: 4563200 30.9723 -46.8043 -40.3194 -48.7555 23.3138 0.882873 -43.5717 -1.85042 -46.2198 TIMING: 4563200 CPU: 13705.7, 0.00296747/step Wall: 13705.7, 0.00296747/step, 0.360053 hours remaining, 209.128906 MB of memory in use. ENERGY: 4563200 722.7043 2016.3904 1958.4992 118.3247 -206295.4896 17623.1076 0.0000 0.0000 34384.6352 -149471.8282 300.2896 -183856.4633 -149385.8994 298.8625 -52.3437 -16.7488 556613.7736 2.8517 2.6888 PRESSURE: 4563400 -353.035 -24.5706 -2.20357 -24.5709 -344.611 -9.29958 -2.20459 -9.29992 -2.84644 GPRESSURE: 4563400 -365.359 -22.7966 -73.9834 44.2872 -304.28 -39.7908 58.6447 -22.1508 64.3656 PRESSAVG: 4563400 -11.3233 -1.19622 15.0355 -1.19632 -56.3869 -50.8008 15.0354 -50.8007 9.92826 GPRESSAVG: 4563400 -12.5362 -2.64169 14.7951 1.23788 -55.0409 -50.1746 15.8307 -50.5567 9.91911 TIMING: 4563400 CPU: 13706.3, 0.00296461/step Wall: 13706.3, 0.00296461/step, 0.359541 hours remaining, 209.128906 MB of memory in use. ENERGY: 4563400 753.7592 2097.6725 1955.1136 110.2115 -205816.7560 17304.0862 0.0000 0.0000 34328.5259 -149267.3871 299.7996 -183595.9130 -149164.9053 298.6390 -233.4975 -201.7579 557178.2775 -19.2606 -19.2194 PRESSURE: 4563600 29.3232 4.77122 73.8071 4.77116 104.604 -195.586 73.8079 -195.587 -94.9798 GPRESSURE: 4563600 -46.2875 11.7489 120.158 69.5026 175.599 -114.477 86.7063 -165.886 5.30264 PRESSAVG: 4563600 51.6554 42.3931 2.17961 42.3931 -17.5019 7.75507 2.17957 7.75501 -22.8508 GPRESSAVG: 4563600 52.7017 43.3418 3.01211 41.5386 -17.7225 6.57577 0.827788 7.65016 -23.7233 TIMING: 4563600 CPU: 13706.9, 0.00298318/step Wall: 13706.9, 0.00298318/step, 0.361627 hours remaining, 209.128906 MB of memory in use. ENERGY: 4563600 725.0258 2089.5136 1937.2603 108.8504 -206376.3143 17941.3005 0.0000 0.0000 34286.8011 -149287.5625 299.4352 -183574.3636 -149198.1063 299.0901 12.9824 44.8714 558432.3040 3.7676 3.7520 PRESSURE: 4563800 -64.8651 -86.8441 190.818 -86.8444 -98.7538 175.945 190.819 175.943 41.6063 GPRESSURE: 4563800 -74.8321 -41.9551 191.056 -121.999 -74.8026 135.158 128.159 151.18 113.077 PRESSAVG: 4563800 -39.8815 30.5953 28.6109 30.5953 -22.3384 -30.4783 28.6109 -30.4783 28.5327 GPRESSAVG: 4563800 -39.6405 30.3489 29.0701 30.2876 -22.5709 -31.4104 27.992 -28.628 28.2637 TIMING: 4563800 CPU: 13707.5, 0.00295221/step Wall: 13707.5, 0.00295221/step, 0.35771 hours remaining, 209.128906 MB of memory in use. ENERGY: 4563800 761.9646 2071.4240 1955.3728 116.2185 -205941.0249 17690.4851 0.0000 0.0000 34199.2290 -149146.3309 298.6704 -183345.5599 -149057.3737 299.6313 -40.6709 -12.1859 558772.3597 -11.2291 -11.3159 PRESSURE: 4564000 -11.8766 -44.6848 -47.2011 -44.6859 352.657 110.333 -47.2 110.332 98.0396 GPRESSURE: 4564000 60.5078 -97.0689 -91.2783 88.2425 379.311 187.07 -20.4279 105.854 111.807 PRESSAVG: 4564000 -5.43998 33.2032 80.7266 33.2032 20.2708 -0.567898 80.7265 -0.567928 36.4178 GPRESSAVG: 4564000 -5.7569 34.9141 80.0103 32.7953 20.0176 1.90488 80.6232 -4.91466 36.5229 TIMING: 4564000 CPU: 13708, 0.00295747/step Wall: 13708, 0.00295747/step, 0.358183 hours remaining, 209.128906 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: 4564000 735.4753 2083.1896 1948.1113 110.3010 -206433.4265 18022.8225 0.0000 0.0000 34169.9870 -149363.5399 298.4150 -183533.5269 -149260.7153 299.6506 146.2732 183.8753 557386.3705 17.0829 16.9279 PRESSURE: 4564200 -17.4895 -78.2687 20.5702 -78.2686 73.0221 42.9071 20.5698 42.9063 21.4555 GPRESSURE: 4564200 46.7922 -83.3352 -7.39801 -70.0474 103.799 20.0559 -8.25446 8.34426 29.32 PRESSAVG: 4564200 -24.484 -4.67367 -0.914661 -4.67366 61.2346 45.6474 -0.914765 45.6474 -3.62432 GPRESSAVG: 4564200 -23.9539 -5.37584 -2.15236 -5.57988 62.0541 43.2688 1.40857 49.7533 -4.21495 TIMING: 4564200 CPU: 13708.6, 0.00296108/step Wall: 13708.6, 0.00296108/step, 0.358455 hours remaining, 209.128906 MB of memory in use. ENERGY: 4564200 743.2523 2108.8465 1942.5632 111.9728 -206333.9649 17902.8655 0.0000 0.0000 34309.2387 -149215.2260 299.6311 -183524.4647 -149117.1931 299.2013 25.6627 59.9704 558739.4366 11.0421 11.2951 LDB: ============= START OF LOAD BALANCING ============== 13712.2 LDB: ============== END OF LOAD BALANCING =============== 13712.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13712.2 LDB: ============= START OF LOAD BALANCING ============== 13712.4 LDB: Largest compute 4772 load 0.029891 is 25.3% of average load 0.118166 LDB: Average compute 0.001741 is 1.5% of average load 0.118166 LDB: TIME 13712.5 LOAD: AVG 0.118166 MAX 0.202855 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.488 MB LDB: TIME 13712.5 LOAD: AVG 0.118166 MAX 0.202855 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.691 MB LDB: TIME 13712.5 LOAD: AVG 0.118166 MAX 0.202855 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.691 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13712.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 13712.5 Info: useSync: 0 useProxySync: 0 PRESSURE: 4564400 -111.442 -78.9366 36.1282 -78.9356 94.4067 22.9166 36.1276 22.9172 -342.042 GPRESSURE: 4564400 -105.001 -96.9578 129.905 -119.76 98.9637 21.3214 10.9172 -84.3717 -269.377 PRESSAVG: 4564400 -30.9951 43.2651 40.5235 43.2651 -17.2264 62.1017 40.5235 62.1018 22.0603 GPRESSAVG: 4564400 -31.1993 43.9468 41.434 44.1775 -18.2796 63.6044 40.4663 59.9875 22.871 TIMING: 4564400 CPU: 13709.2, 0.00300027/step Wall: 13709.2, 0.00300027/step, 0.363033 hours remaining, 208.464844 MB of memory in use. ENERGY: 4564400 790.3737 2063.9575 1928.2320 118.0956 -206033.1643 17790.1438 0.0000 0.0000 34117.8735 -149224.4882 297.9599 -183342.3617 -149127.6535 298.5682 -119.6924 -91.8048 558948.1887 -8.7204 -8.8693 PRESSURE: 4564600 -451.364 1.05111 107.935 1.05038 -167.744 98.9595 107.935 98.9562 68.479 GPRESSURE: 4564600 -404.099 -19.1215 103.98 -25.9763 -152.509 92.3353 181.75 2.48119 110.96 PRESSAVG: 4564600 -68.2783 -7.50276 54.2522 -7.50281 20.8021 20.3505 54.2522 20.3506 23.6518 GPRESSAVG: 4564600 -69.975 -8.12218 55.541 -8.4534 22.6704 20.733 52.5521 18.646 24.0909 TIMING: 4564600 CPU: 13709.8, 0.00297229/step Wall: 13709.8, 0.00297229/step, 0.359482 hours remaining, 208.464844 MB of memory in use. ENERGY: 4564600 773.5476 2043.0355 1930.8786 109.9191 -206229.9682 17757.6957 0.0000 0.0000 34345.5825 -149269.3092 299.9485 -183614.8917 -149176.1065 299.1712 -183.5430 -148.5491 558009.2909 -7.9415 -7.7379 PRESSURE: 4564800 -235.8 50.2737 40.447 50.2747 -440.805 -202.638 40.4455 -202.638 -143.615 GPRESSURE: 4564800 -178.408 35.4957 104.145 -6.29657 -360.208 -138.801 19.7923 -259.775 -160.68 PRESSAVG: 4564800 15.6774 -21.8476 -50.909 -21.8475 -43.2189 -1.18161 -50.909 -1.18162 41.2285 GPRESSAVG: 4564800 18.3727 -20.7464 -52.3672 -21.1386 -45.4071 -0.217152 -50.9325 -1.16341 40.5027 TIMING: 4564800 CPU: 13710.4, 0.00298454/step Wall: 13710.4, 0.00298454/step, 0.360798 hours remaining, 208.464844 MB of memory in use. ENERGY: 4564800 755.7609 2116.1473 1949.7765 103.1452 -206227.6704 17618.9276 0.0000 0.0000 34229.3904 -149454.5225 298.9338 -183683.9129 -149362.7125 299.1388 -273.4067 -233.0986 558057.7519 4.5623 4.4895 PRESSURE: 4565000 -148.597 -48.8281 25.355 -48.8278 -171.686 1.00649 25.3551 1.00652 -66.2448 GPRESSURE: 4565000 -113.108 -36.6685 17.8832 -7.78798 -120.459 86.0607 70.6442 36.4856 -56.7865 PRESSAVG: 4565000 38.6778 1.5005 -33.7609 1.50049 -73.977 -16.3184 -33.761 -16.3183 40.4133 GPRESSAVG: 4565000 37.4058 3.05904 -34.5494 1.31672 -72.8927 -16.2965 -32.7493 -14.367 40.7692 TIMING: 4565000 CPU: 13711, 0.002974/step Wall: 13711, 0.002974/step, 0.359358 hours remaining, 208.464844 MB of memory in use. ENERGY: 4565000 716.9458 2121.4130 1942.0219 113.1149 -205968.9217 17563.6239 0.0000 0.0000 34012.1928 -149499.6093 297.0369 -183511.8021 -149412.8684 297.6279 -128.8427 -96.7846 556270.4146 1.7047 1.7607 PRESSURE: 4565200 -88.2176 -31.803 102.253 -31.8026 17.9638 -91.4018 102.252 -91.4018 138.135 GPRESSURE: 4565200 -116.339 -49.3108 27.5254 -3.55471 144.584 -80.0527 109.057 -162.197 139.135 PRESSAVG: 4565200 -33.841 11.9069 31.7909 11.9069 -38.4257 0.0282367 31.7909 0.0281535 62.0466 GPRESSAVG: 4565200 -34.5767 11.7198 30.9086 10.8884 -38.7175 -2.01325 32.1482 -0.67019 62.5419 TIMING: 4565200 CPU: 13711.6, 0.00296545/step Wall: 13711.6, 0.00296545/step, 0.358161 hours remaining, 208.464844 MB of memory in use. ENERGY: 4565200 713.8386 2062.9929 1943.0699 117.0567 -206456.1395 17805.4391 0.0000 0.0000 34189.8932 -149623.8491 298.5888 -183813.7423 -149532.7574 298.9213 22.6269 55.7932 555463.1793 -3.4067 -3.5841 PRESSURE: 4565400 92.9249 -59.1505 110.124 -59.1504 -68.1559 248.926 110.124 248.926 -53.6083 GPRESSURE: 4565400 152.437 -99.5215 216.732 -6.67115 -92.2062 273.672 11.3439 215.363 8.37401 PRESSAVG: 4565400 -4.73612 0.0741566 34.0824 0.074193 56.8799 -34.8406 34.0824 -34.8406 -25.7112 GPRESSAVG: 4565400 -4.48254 -1.76525 35.7963 1.17861 56.5017 -32.9325 33.0503 -36.5784 -26.2139 TIMING: 4565400 CPU: 13712.2, 0.0029398/step Wall: 13712.2, 0.0029398/step, 0.354899 hours remaining, 208.464844 MB of memory in use. ENERGY: 4565400 732.5401 2088.7461 1946.4091 118.9331 -206273.1300 17723.7940 0.0000 0.0000 34143.1611 -149519.5466 298.1807 -183662.7077 -149428.3130 298.5722 -9.6131 22.8681 557391.7770 8.8108 8.6017 PRESSURE: 4565600 -0.246807 -128.014 -82.6968 -128.015 58.0797 16.2528 -82.6967 16.2544 -0.666911 GPRESSURE: 4565600 34.6981 -80.45 -33.3913 -172.364 82.2785 49.9302 -60.0299 47.2824 41.8135 PRESSAVG: 4565600 -5.7643 -7.34994 12.9372 -7.34991 44.0248 -62.3827 12.9371 -62.3827 -27.5276 GPRESSAVG: 4565600 -6.60578 -6.68181 10.7071 -6.50974 45.3503 -65.3025 13.3219 -61.5466 -27.6749 TIMING: 4565600 CPU: 13712.8, 0.0029725/step Wall: 13712.8, 0.0029725/step, 0.358681 hours remaining, 208.464844 MB of memory in use. ENERGY: 4565600 749.7464 2080.9041 1940.2029 110.7035 -206559.1880 17829.0846 0.0000 0.0000 34306.6579 -149541.8884 299.6086 -183848.5464 -149440.3996 298.1892 19.0553 52.9300 555715.7325 3.5777 3.6899 PRESSURE: 4565800 -136.166 -87.6856 175.364 -87.6855 -258.456 6.94077 175.364 6.94319 -387.991 GPRESSURE: 4565800 -78.3733 -36.822 129.731 -167.964 -271.742 28.3304 227.685 31.5295 -322.017 PRESSAVG: 4565800 -7.56789 -15.3204 50.6911 -15.3205 1.47408 7.85342 50.6911 7.85344 -8.03513 GPRESSAVG: 4565800 -7.51306 -13.4753 53.2585 -18.0117 0.60334 8.75242 49.5968 9.50656 -7.90518 TIMING: 4565800 CPU: 13713.4, 0.00295896/step Wall: 13713.4, 0.00295896/step, 0.356883 hours remaining, 208.464844 MB of memory in use. ENERGY: 4565800 772.1683 2038.8067 1959.9684 118.2720 -206615.7182 17773.5948 0.0000 0.0000 34412.3429 -149540.5652 300.5315 -183952.9080 -149442.2807 297.9116 -260.8714 -224.0439 557680.1357 -4.7096 -4.9383 PRESSURE: 4566000 -98.1385 -43.3564 -44.9112 -43.3556 232.595 -25.0295 -44.9104 -25.0294 -128.922 GPRESSURE: 4566000 -44.9803 -64.6337 -72.971 2.64944 207.255 -15.4897 -28.5429 32.137 -79.4299 PRESSAVG: 4566000 48.579 -47.6249 66.3214 -47.625 -14.9613 14.5871 66.3214 14.5872 -29.6773 GPRESSAVG: 4566000 48.9812 -50.5318 65.8032 -45.1579 -14.6236 16.427 66.8287 12.2475 -31.1175 TIMING: 4566000 CPU: 13714, 0.00294741/step Wall: 13714, 0.00294741/step, 0.355327 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: 4566000 730.4802 2106.2678 1947.6999 114.0491 -206314.6911 17768.9448 0.0000 0.0000 34271.0386 -149376.2107 299.2975 -183647.2493 -149287.0305 298.8578 1.8449 27.6148 556686.4566 1.3134 1.0800 PRESSURE: 4566200 92.5705 17.2169 33.9313 17.2189 -455.091 -19.0663 33.9322 -19.0666 99.126 GPRESSURE: 4566200 128.391 45.5846 37.4447 -24.0682 -387.626 -39.5507 53.0054 74.3349 77.1511 PRESSAVG: 4566200 -8.74202 2.92572 10.3194 2.92569 55.0393 -6.7725 10.3195 -6.77251 14.1703 GPRESSAVG: 4566200 -8.54301 3.88535 10.2559 1.67783 55.3388 -5.03907 10.0387 -5.54502 14.2323 TIMING: 4566200 CPU: 13714.6, 0.0029398/step Wall: 13714.6, 0.0029398/step, 0.354246 hours remaining, 208.667969 MB of memory in use. ENERGY: 4566200 786.9742 2066.4211 1950.3967 106.4031 -206309.3225 17702.9502 0.0000 0.0000 34270.1127 -149426.0646 299.2894 -183696.1773 -149326.8300 298.9451 -87.7981 -60.6946 556726.7150 20.1558 20.3427 PRESSURE: 4566400 -204.078 -135.899 202.418 -135.899 149.323 -160.873 202.417 -160.873 70.6204 GPRESSURE: 4566400 -162.581 -144.088 122.138 -150.54 182.53 -72.5738 264.536 -234.29 73.5922 PRESSAVG: 4566400 -58.1924 6.33455 43.1389 6.33453 24.1377 -22.3072 43.1388 -22.3072 19.5221 GPRESSAVG: 4566400 -58.1215 5.88343 41.8368 10.3557 24.6947 -23.5324 44.1121 -21.9946 19.0109 TIMING: 4566400 CPU: 13715.2, 0.00294313/step Wall: 13715.2, 0.00294313/step, 0.354484 hours remaining, 208.667969 MB of memory in use. ENERGY: 4566400 701.1824 2044.0854 1951.3037 119.5832 -206104.7345 17783.4065 0.0000 0.0000 33982.2034 -149522.9699 296.7750 -183505.1732 -149420.6997 298.4440 5.2884 31.1804 556763.7877 -4.8442 -4.8053 PRESSURE: 4566600 -368.464 86.4935 -3.36301 86.4941 -284.533 41.4348 -3.36333 41.4352 -189.128 GPRESSURE: 4566600 -397.296 109.301 -34.1332 144.927 -169.407 106.23 22.8918 5.65694 -176.812 PRESSAVG: 4566600 -47.0131 9.67999 69.3141 9.68002 65.6458 -2.49731 69.314 -2.49736 -22.8924 GPRESSAVG: 4566600 -48.1241 9.44164 70.4203 6.86306 66.4751 -3.52563 68.6099 -1.10046 -22.2829 TIMING: 4566600 CPU: 13715.8, 0.00297834/step Wall: 13715.8, 0.00297834/step, 0.358559 hours remaining, 208.667969 MB of memory in use. ENERGY: 4566600 742.9717 2135.5683 1939.9354 108.0809 -205997.1939 17554.9577 0.0000 0.0000 34039.6386 -149476.0414 297.2766 -183515.6800 -149385.7561 298.1198 -280.7085 -247.8383 559079.3562 -1.4199 -1.3107 PRESSURE: 4566800 -69.3309 -73.3672 -63.7957 -73.3683 134.263 -19.4969 -63.7966 -19.4951 -192.307 GPRESSURE: 4566800 -84.4354 -95.4431 -52.2547 -89.3519 141.654 45.249 -117.737 -55.8931 -80.1513 PRESSAVG: 4566800 -19.0878 13.318 28.9604 13.3179 48.7375 -45.8639 28.9604 -45.8639 -62.164 GPRESSAVG: 4566800 -19.296 10.3049 30.2811 14.8917 46.7836 -46.1149 29.1637 -45.2428 -60.5709 TIMING: 4566800 CPU: 13716.3, 0.00296883/step Wall: 13716.3, 0.00296883/step, 0.35725 hours remaining, 208.667969 MB of memory in use. ENERGY: 4566800 710.5495 2095.5641 1940.7523 107.3654 -206468.8144 17829.3441 0.0000 0.0000 34082.8956 -149702.3433 297.6544 -183785.2389 -149597.4324 298.2167 -42.4584 -7.6442 557363.9875 -10.8381 -11.0278 PRESSURE: 4567000 -223.474 7.7232 124.311 7.72272 100.638 -59.4052 124.311 -59.4048 136.391 GPRESSURE: 4567000 -192.37 -96.7422 52.4939 11.5708 135.997 -57.5484 176.446 -62.9769 172.026 PRESSAVG: 4567000 8.96526 -17.2611 -5.40691 -17.2612 23.1567 -53.1478 -5.40692 -53.1478 -19.8535 GPRESSAVG: 4567000 10.1512 -14.4055 -6.67894 -19.1402 23.2393 -52.0342 -6.27136 -53.6735 -21.1336 TIMING: 4567000 CPU: 13716.9, 0.00294371/step Wall: 13716.9, 0.00294371/step, 0.354063 hours remaining, 208.667969 MB of memory in use. ENERGY: 4567000 722.3381 2093.9927 1958.6816 115.1761 -206576.4446 17850.4674 0.0000 0.0000 34190.9678 -149644.8209 298.5982 -183835.7887 -149549.3602 297.8668 4.5185 38.5511 557159.2066 4.0895 4.0856 PRESSURE: 4567200 -28.2403 45.4174 53.832 45.4174 127.661 -1.90613 53.8325 -1.90548 -60.813 GPRESSURE: 4567200 -17.1336 125.026 75.9185 -51.2672 210.165 -21.0183 -11.893 32.039 -61.3523 PRESSAVG: 4567200 -79.4788 -2.85917 -3.36697 -2.85919 95.2807 53.515 -3.36698 53.515 -24.0233 GPRESSAVG: 4567200 -78.6893 -1.93328 -2.89214 -3.51946 94.92 52.9354 -2.55557 53.4642 -24.3347 TIMING: 4567200 CPU: 13717.5, 0.00295211/step Wall: 13717.5, 0.00295211/step, 0.354909 hours remaining, 208.667969 MB of memory in use. ENERGY: 4567200 739.1643 2108.7011 1923.3866 108.4302 -206431.0163 17874.0711 0.0000 0.0000 34025.9754 -149651.2876 297.1573 -183677.2630 -149558.8764 298.5412 12.8694 43.8931 557153.9045 -2.7405 -2.7013 PRESSURE: 4567400 -234.456 55.9558 -3.16152 55.955 -179.179 -76.3517 -3.16043 -76.3514 32.8528 GPRESSURE: 4567400 -217.157 64.8593 -37.9151 72.3139 -131.612 -24.347 -50.8009 -110.46 60.1596 PRESSAVG: 4567400 -90.0268 -30.5183 -31.6909 -30.5182 75.1522 -15.0423 -31.6909 -15.0423 13.1271 GPRESSAVG: 4567400 -90.7119 -29.2063 -31.3419 -30.969 75.1053 -14.5001 -32.7002 -15.2432 13.5713 TIMING: 4567400 CPU: 13718.1, 0.00295022/step Wall: 13718.1, 0.00295022/step, 0.354518 hours remaining, 208.667969 MB of memory in use. ENERGY: 4567400 740.2685 2093.2912 1942.2601 113.5216 -206235.1828 17559.2248 0.0000 0.0000 34138.3870 -149648.2296 298.1390 -183786.6165 -149552.3359 298.5813 -126.9272 -96.2033 556912.2393 -0.5825 -0.6785 PRESSURE: 4567600 -148.718 -132.629 -57.7445 -132.629 -80.5499 -173.842 -57.7446 -173.842 -474.475 GPRESSURE: 4567600 -149.052 -139.513 -14.8188 -146.458 9.8953 -198.355 -36.6985 -156.822 -457.586 PRESSAVG: 4567600 -16.3339 -2.63756 -22.2181 -2.63744 98.2274 -73.8858 -22.2179 -73.8858 -61.2537 GPRESSAVG: 4567600 -15.6812 -6.32425 -22.8425 0.339079 98.6177 -74.4675 -22.0253 -74.5902 -62.0391 TIMING: 4567600 CPU: 13718.7, 0.00295343/step Wall: 13718.7, 0.00295343/step, 0.35474 hours remaining, 208.667969 MB of memory in use. ENERGY: 4567600 724.8976 2099.1654 1919.9029 122.4488 -205800.3835 17271.8457 0.0000 0.0000 33945.5959 -149716.5271 296.4553 -183662.1230 -149614.8217 297.4204 -234.5810 -198.9143 557718.3697 6.8799 6.9658 PRESSURE: 4567800 -26.1867 -50.0878 121.869 -50.0888 15.8078 66.7149 121.87 66.7163 115.39 GPRESSURE: 4567800 -8.8574 -77.5889 17.58 -61.0513 72.8373 80.4338 165.314 82.4949 147.402 PRESSAVG: 4567800 -15.3433 11.9257 -49.564 11.9257 42.8866 -85.2714 -49.564 -85.2714 20.024 GPRESSAVG: 4567800 -15.3232 13.5222 -49.9847 12.8967 41.5508 -84.282 -48.132 -85.6843 21.1315 TIMING: 4567800 CPU: 13719.3, 0.00294573/step Wall: 13719.3, 0.00294573/step, 0.353651 hours remaining, 208.667969 MB of memory in use. ENERGY: 4567800 747.8617 2116.5684 1943.4969 132.7642 -206816.8242 17988.3354 0.0000 0.0000 34263.4733 -149624.3243 299.2314 -183887.7976 -149528.6903 298.3581 35.0039 70.4606 556747.5443 15.8558 15.7864 PRESSURE: 4568000 -92.9266 -35.6581 5.15586 -35.6589 66.8604 -180.754 5.15444 -180.754 -92.0368 GPRESSURE: 4568000 -88.0421 15.8328 -95.0971 -4.75219 115.522 -166.187 61.5318 -246.197 -44.261 PRESSAVG: 4568000 -52.7861 37.6092 -6.69449 37.6092 35.5843 -5.33648 -6.69445 -5.33648 -10.8687 GPRESSAVG: 4568000 -52.7146 37.4469 -7.56059 37.8721 36.4768 -6.44345 -4.99764 -3.95784 -12.0847 TIMING: 4568000 CPU: 13719.9, 0.00298096/step Wall: 13719.9, 0.00298096/step, 0.357716 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: 4568000 733.3082 2031.7592 1961.6861 101.5950 -206476.5558 17764.2432 0.0000 0.0000 34152.5295 -149731.4346 298.2625 -183883.9641 -149628.8437 297.8391 -39.3677 -5.5936 557932.6026 -9.3568 -9.4408 PRESSURE: 4568200 22.8253 32.3222 1.39009 32.3214 86.8647 65.4855 1.38981 65.4835 -74.0684 GPRESSURE: 4568200 101.628 18.7176 39.7819 56.0759 56.2336 65.2081 59.8437 -23.1585 -21.3652 PRESSAVG: 4568200 -58.5358 -19.7692 1.67756 -19.7693 -22.9624 -15.6349 1.67751 -15.6349 55.2986 GPRESSAVG: 4568200 -58.6865 -19.3789 4.24074 -21.6762 -23.5254 -15.0541 -1.53854 -15.4642 55.7975 TIMING: 4568200 CPU: 13720.5, 0.00297721/step Wall: 13720.5, 0.00297721/step, 0.357099 hours remaining, 208.667969 MB of memory in use. ENERGY: 4568200 761.7408 2129.4717 1934.1356 111.5503 -206997.6392 18114.7945 0.0000 0.0000 34120.0677 -149825.8785 297.9790 -183945.9463 -149727.1113 297.8896 11.8738 45.4988 557452.0346 -8.7332 -8.8048 LDB: ============= START OF LOAD BALANCING ============== 13724 LDB: ============== END OF LOAD BALANCING =============== 13724 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13724 LDB: ============= START OF LOAD BALANCING ============== 13724.3 LDB: Largest compute 4772 load 0.029750 is 25.2% of average load 0.118117 LDB: Average compute 0.001737 is 1.5% of average load 0.118117 LDB: TIME 13724.3 LOAD: AVG 0.118117 MAX 0.205029 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.52 MB LDB: TIME 13724.3 LOAD: AVG 0.118117 MAX 0.205029 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.52 MB LDB: TIME 13724.3 LOAD: AVG 0.118117 MAX 0.205029 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.52 MB LDB: ============== END OF LOAD BALANCING =============== 13724.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13724.3 PRESSURE: 4568400 92.4125 -31.9894 -116.713 -31.9896 -30.0275 -132.801 -116.712 -132.8 57.9764 GPRESSURE: 4568400 83.88 56.5289 -128.948 -134.677 13.8148 -150.914 -122.667 -173.451 113.454 PRESSAVG: 4568400 -3.32813 -0.255181 -25.3844 -0.255234 -44.4501 -30.974 -25.3843 -30.974 59.0712 GPRESSAVG: 4568400 -3.98997 -1.62954 -26.1804 -0.557333 -44.6906 -29.8189 -25.5925 -31.1804 59.1878 TIMING: 4568400 CPU: 13721.1, 0.00301463/step Wall: 13721.1, 0.00301463/step, 0.361421 hours remaining, 211.546875 MB of memory in use. ENERGY: 4568400 714.9515 2093.1901 1945.1847 96.6924 -206736.3695 17978.3438 0.0000 0.0000 34302.1441 -149605.8630 299.5692 -183908.0071 -149506.4918 297.5277 40.1205 70.3830 557189.7342 3.7643 3.5024 PRESSURE: 4568600 102.366 -46.1886 -169.835 -46.1879 20.1247 -39.2374 -169.835 -39.2381 54.9877 GPRESSURE: 4568600 169.733 -27.311 -175.854 4.44791 47.7356 -78.0164 -105.229 -9.96238 75.6468 PRESSAVG: 4568600 11.3634 4.10748 -12.3244 4.10742 -28.0569 15.9226 -12.3244 15.9227 24.5587 GPRESSAVG: 4568600 11.591 6.70465 -11.8348 2.68222 -27.5812 14.812 -11.2385 16.2227 23.7834 TIMING: 4568600 CPU: 13721.7, 0.00295487/step Wall: 13721.7, 0.00295487/step, 0.354092 hours remaining, 211.585938 MB of memory in use. ENERGY: 4568600 700.0985 2070.6395 1964.9070 99.2431 -206510.7806 18026.9951 0.0000 0.0000 34140.5674 -149508.3299 298.1581 -183648.8973 -149412.6964 298.1976 59.1595 97.7051 557235.4837 2.6217 2.5977 PRESSURE: 4568800 -136.293 -32.7956 -39.0385 -32.7956 49.2699 152.589 -39.0379 152.59 -13.2907 GPRESSURE: 4568800 -105.984 -135.632 17.8615 -49.5666 60.281 53.3072 -64.5725 208.121 40.2973 PRESSAVG: 4568800 -34.7665 8.47601 -30.5355 8.47602 15.8092 -14.8076 -30.5354 -14.8078 -10.5834 GPRESSAVG: 4568800 -35.2509 7.05993 -31.4934 9.83476 14.4265 -16.6371 -30.7539 -14.8918 -8.8253 TIMING: 4568800 CPU: 13722.3, 0.0029776/step Wall: 13722.3, 0.0029776/step, 0.35665 hours remaining, 211.585938 MB of memory in use. ENERGY: 4568800 789.0563 2041.4831 1958.2744 108.6523 -206255.7710 17867.1416 0.0000 0.0000 34085.9804 -149405.1829 297.6813 -183491.1633 -149313.6966 298.1792 -33.4380 -1.8017 557838.7018 -9.8469 -9.8832 PRESSURE: 4569000 -252.582 -111.406 -70.5182 -111.406 -82.3662 118.616 -70.5183 118.617 -96.2115 GPRESSURE: 4569000 -188.288 -57.1946 -71.2031 -186.987 -71.5702 70.5309 -109.751 73.0454 -77.7799 PRESSAVG: 4569000 18.0618 -43.7619 -52.9886 -43.7619 -36.0074 52.9277 -52.9886 52.9277 9.42903 GPRESSAVG: 4569000 19.4594 -41.5051 -53.7736 -45.6224 -35.5565 53.756 -53.2758 52.0727 7.55651 TIMING: 4569000 CPU: 13722.9, 0.00296907/step Wall: 13722.9, 0.00296907/step, 0.355464 hours remaining, 211.585938 MB of memory in use. ENERGY: 4569000 717.7156 2076.4676 1930.3778 128.2407 -206169.6801 17646.4711 0.0000 0.0000 34343.8187 -149326.5886 299.9331 -183670.4074 -149240.7197 298.6604 -143.7198 -112.5461 557962.2722 -2.8389 -2.8469 PRESSURE: 4569200 -261.081 -38.5554 20.3676 -38.5551 -187.573 -22.2992 20.3675 -22.2994 -290.717 GPRESSURE: 4569200 -202.912 -20.3077 62.8398 -0.618243 -120.389 -9.12898 -54.5599 -37.8039 -324.847 PRESSAVG: 4569200 -17.3198 0.77986 -54.9672 0.779883 12.4383 24.2055 -54.9672 24.2056 33.3252 GPRESSAVG: 4569200 -19.378 -0.904233 -54.5477 1.96233 13.475 23.1234 -55.8667 25.654 34.2452 TIMING: 4569200 CPU: 13723.5, 0.00298107/step Wall: 13723.5, 0.00298107/step, 0.356734 hours remaining, 211.585938 MB of memory in use. ENERGY: 4569200 777.8723 2059.1555 1983.8398 108.7026 -205842.9539 17491.6713 0.0000 0.0000 34110.2527 -149311.4596 297.8933 -183421.7123 -149224.3658 299.6223 -246.4571 -216.0495 557874.9122 9.4812 9.4474 PRESSURE: 4569400 -79.2779 -93.4672 -14.3414 -93.4679 495.791 -18.9251 -14.3406 -18.9253 223.463 GPRESSURE: 4569400 -70.6211 -11.3919 46.7771 -66.5067 506.34 -50.5182 24.6326 -72.8295 294.871 PRESSAVG: 4569400 -84.4352 10.0823 -26.2954 10.0823 -3.38394 19.7782 -26.2954 19.7782 24.5228 GPRESSAVG: 4569400 -83.713 10.7145 -25.1455 8.80061 -4.30204 21.9558 -25.1491 18.3906 24.713 TIMING: 4569400 CPU: 13724.1, 0.00298255/step Wall: 13724.1, 0.00298255/step, 0.356747 hours remaining, 211.585938 MB of memory in use. ENERGY: 4569400 722.8394 2107.7273 1949.8374 122.7929 -206495.2456 17919.7230 0.0000 0.0000 34437.0766 -149235.2490 300.7476 -183672.3255 -149136.6036 299.1414 213.3255 243.5298 556920.7671 -21.0988 -21.1007 PRESSURE: 4569600 -4.39398 192.231 84.1349 192.231 216.009 -109.045 84.1353 -109.044 -27.213 GPRESSURE: 4569600 -0.343655 179.036 57.7406 222.092 294.955 -110.287 -9.4282 -110.452 -4.05198 PRESSAVG: 4569600 -74.6562 57.9951 12.3215 57.9951 118.013 18.3037 12.3215 18.3037 -79.8035 GPRESSAVG: 4569600 -73.9863 59.3788 11.4287 58.9731 118.199 17.9999 10.1744 18.5531 -80.5317 TIMING: 4569600 CPU: 13724.7, 0.00299807/step Wall: 13724.7, 0.00299807/step, 0.358436 hours remaining, 211.585938 MB of memory in use. ENERGY: 4569600 745.1174 2037.5332 1967.9795 112.9131 -206276.8971 17870.5671 0.0000 0.0000 34307.1685 -149235.6183 299.6130 -183542.7868 -149137.2943 300.0276 61.4672 96.8531 556004.5759 -12.1488 -12.1062 PRESSURE: 4569800 2.91747 -12.2171 50.8313 -12.2171 -253.689 -16.7006 50.8316 -16.7018 -125.394 GPRESSURE: 4569800 42.1786 15.4178 34.6196 -13.9112 -197.408 -25.9463 -13.6015 17.7591 -132.837 PRESSAVG: 4569800 45.6675 73.9543 52.5024 73.9542 -0.625692 29.4176 52.5024 29.4176 -11.8511 GPRESSAVG: 4569800 44.6399 71.2546 51.7249 76.1604 0.192881 28.0841 52.4972 30.6296 -11.581 TIMING: 4569800 CPU: 13725.3, 0.00298257/step Wall: 13725.3, 0.00298257/step, 0.356417 hours remaining, 211.585938 MB of memory in use. ENERGY: 4569800 726.0599 2044.2832 1933.6737 109.6682 -206124.5953 17485.9605 0.0000 0.0000 34375.4890 -149449.4608 300.2097 -183824.9498 -149344.7868 299.2496 -125.3885 -96.0220 556100.4301 11.0636 11.0839 PRESSURE: 4570000 -47.4435 158.067 13.8981 158.069 -14.0611 74.4431 13.8983 74.4439 126.266 GPRESSURE: 4570000 -3.85449 154.966 48.0383 137.404 19.2484 30.435 6.78341 103.786 161.086 PRESSAVG: 4570000 -0.225151 14.8389 12.7772 14.8389 -22.1622 38.5926 12.7771 38.5926 14.1372 GPRESSAVG: 4570000 -0.18273 15.7443 13.7747 10.8077 -23.3808 36.9546 14.2624 38.4595 15.2199 TIMING: 4570000 CPU: 13725.9, 0.00297567/step Wall: 13725.9, 0.00297567/step, 0.355427 hours remaining, 211.585938 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: 4570000 724.6714 2073.1959 1967.5281 110.1415 -206229.4444 17751.2341 0.0000 0.0000 34059.2049 -149543.4686 297.4475 -183602.6735 -149454.6844 298.6928 21.5871 58.8265 555165.1852 -2.7501 -2.7812 PRESSURE: 4570200 131.796 148.957 212.406 148.957 160.035 -54.6261 212.406 -54.6267 60.0405 GPRESSURE: 4570200 177.975 124.32 225.469 121.962 164.607 -67.2611 249.374 -35.5104 108.612 PRESSAVG: 4570200 -15.5027 3.9283 30.8357 3.92833 40.7521 35.8775 30.8356 35.8775 -2.99114 GPRESSAVG: 4570200 -15.1589 1.61816 31.947 7.3508 40.8641 36.2344 29.9921 35.2942 -3.33981 TIMING: 4570200 CPU: 13726.4, 0.00296002/step Wall: 13726.4, 0.00296002/step, 0.353393 hours remaining, 211.585938 MB of memory in use. ENERGY: 4570200 755.5235 2050.9942 1961.3345 108.4082 -206521.3371 18098.1629 0.0000 0.0000 34159.4633 -149387.4505 298.3231 -183546.9138 -149293.4438 298.3615 117.2906 150.3980 556246.9843 7.4194 7.4551 PRESSURE: 4570400 94.7142 71.803 87.1572 71.803 -10.9687 -22.8501 87.1569 -22.8486 16.4566 GPRESSURE: 4570400 92.3991 32.8038 62.6417 121.568 71.5483 -16.609 77.2611 -63.6664 33.3491 PRESSAVG: 4570400 45.1078 38.4589 3.73276 38.4589 9.11244 -77.0547 3.73281 -77.0546 -49.5451 GPRESSAVG: 4570400 44.2196 40.0959 3.7003 37.6996 9.73074 -75.843 3.49793 -77.8008 -49.4672 TIMING: 4570400 CPU: 13727, 0.00294419/step Wall: 13727, 0.00294419/step, 0.35134 hours remaining, 211.585938 MB of memory in use. ENERGY: 4570400 708.3399 2069.8112 1948.5416 119.9351 -206347.4356 17843.0594 0.0000 0.0000 34293.0880 -149364.6605 299.4901 -183657.7485 -149268.9938 298.1389 33.4007 65.7655 556815.1286 1.5584 1.4944 PRESSURE: 4570600 -306.55 60.1536 -63.8907 60.153 -16.7895 -51.6731 -63.8915 -51.6733 -125.162 GPRESSURE: 4570600 -292.891 34.467 -53.3173 48.2066 25.6616 -54.8607 -89.4155 -15.948 -82.7845 PRESSAVG: 4570600 5.72391 83.3497 -2.66716 83.3497 69.9099 -49.1494 -2.6672 -49.1494 -48.0011 GPRESSAVG: 4570600 6.27103 83.8662 -2.71877 84.4001 70.2467 -47.5334 -2.54508 -49.7207 -48.7633 TIMING: 4570600 CPU: 13727.6, 0.00295705/step Wall: 13727.6, 0.00295705/step, 0.35271 hours remaining, 211.585938 MB of memory in use. ENERGY: 4570600 739.3466 2012.7029 1930.5030 107.0753 -205906.4563 17505.7553 0.0000 0.0000 34195.7837 -149415.2895 298.6403 -183611.0732 -149312.6681 298.4332 -149.5007 -116.6711 559001.3175 9.2109 9.2515 PRESSURE: 4570800 -153.115 -67.0285 1.68456 -67.029 -253.157 96.4454 1.68415 96.4469 -72.2595 GPRESSURE: 4570800 -114.316 -80.5758 -1.07382 -41.4265 -210.681 15.8915 -13.7672 87.0809 -41.7142 PRESSAVG: 4570800 -24.8373 23.3451 -2.41882 23.345 32.2177 -6.06428 -2.4188 -6.06434 -39.1002 GPRESSAVG: 4570800 -24.4639 23.116 -3.61282 20.5806 32.6556 -8.37722 -2.67721 -4.44529 -39.3819 TIMING: 4570800 CPU: 13728.2, 0.00296103/step Wall: 13728.2, 0.00296103/step, 0.353021 hours remaining, 211.585938 MB of memory in use. ENERGY: 4570800 752.9695 2084.8469 1940.7487 109.9249 -205803.1151 17636.7192 0.0000 0.0000 34020.8548 -149257.0511 297.1126 -183277.9059 -149158.4415 298.5912 -159.5105 -122.2372 559982.6783 -10.5733 -10.3967 PRESSURE: 4571000 -73.0292 -139.296 87.2303 -139.297 177.67 -161.159 87.2295 -161.16 -74.242 GPRESSURE: 4571000 -11.4851 -180.445 37.1378 -125.136 216.211 -145.455 127.34 -169.976 -91.4742 PRESSAVG: 4571000 6.60059 -28.3356 -24.1721 -28.3357 31.9538 26.9136 -24.1719 26.9136 -71.2018 GPRESSAVG: 4571000 6.00876 -28.5128 -24.0583 -25.8208 32.2765 28.3759 -23.1496 27.5393 -71.0752 TIMING: 4571000 CPU: 13728.8, 0.00297505/step Wall: 13728.8, 0.00297505/step, 0.354526 hours remaining, 211.585938 MB of memory in use. ENERGY: 4571000 746.6804 2082.2232 1949.1130 125.1312 -206349.5495 17878.1316 0.0000 0.0000 34331.7160 -149236.5542 299.8274 -183568.2702 -149147.0914 299.6198 10.1331 37.7505 557191.5472 -10.8825 -10.9300 PRESSURE: 4571200 89.7254 -69.636 30.3646 -69.6363 -80.2059 40.8682 30.365 40.8696 -119.176 GPRESSURE: 4571200 151.847 -1.59554 -90.5055 -105.195 -37.5455 7.92356 53.8451 3.32951 -126.796 PRESSAVG: 4571200 23.7718 -24.0054 -41.2249 -24.0054 20.8016 19.5567 -41.225 19.5566 -27.3998 GPRESSAVG: 4571200 22.7088 -24.0136 -43.532 -25.1618 20.831 18.1959 -40.2298 18.2291 -26.7115 TIMING: 4571200 CPU: 13729.4, 0.00293394/step Wall: 13729.4, 0.00293394/step, 0.349465 hours remaining, 211.585938 MB of memory in use. ENERGY: 4571200 724.4553 2056.0715 1965.4338 121.8589 -206302.2884 17803.7614 0.0000 0.0000 34172.1715 -149458.5360 298.4341 -183630.7075 -149362.5352 299.2575 -36.5521 -4.1647 558035.9869 5.7245 5.6094 PRESSURE: 4571400 28.4225 241.802 -271.647 241.803 137.142 -55.7832 -271.646 -55.7851 19.5338 GPRESSURE: 4571400 49.2217 271.975 -348.633 169.187 181.458 -99.1107 -154.45 -19.5745 53.9534 PRESSAVG: 4571400 15.9607 -8.40306 -44.6186 -8.40306 18.9041 15.1822 -44.6187 15.182 -19.1624 GPRESSAVG: 4571400 18.2411 -8.29581 -43.2498 -8.99086 17.325 17.1229 -45.8982 13.4022 -20.3471 TIMING: 4571400 CPU: 13730, 0.0029453/step Wall: 13730, 0.0029453/step, 0.350654 hours remaining, 211.585938 MB of memory in use. ENERGY: 4571400 751.0067 2067.3692 1965.9798 112.6824 -206154.4261 17948.9201 0.0000 0.0000 33823.8526 -149484.6152 295.3921 -183308.4678 -149394.2387 298.2285 61.6994 94.8776 557495.3616 5.2341 5.0730 PRESSURE: 4571600 -6.89189 -31.2366 -92.8652 -31.2368 -86.1611 55.5079 -92.8664 55.5085 101.292 GPRESSURE: 4571600 57.9964 -50.0515 -70.8669 -52.2737 -121.359 -42.2646 -119.36 76.8954 158.343 PRESSAVG: 4571600 5.80998 -38.2725 -18.3894 -38.2725 1.60376 58.0022 -18.3895 58.0023 0.979039 GPRESSAVG: 4571600 5.53308 -38.1008 -17.0266 -39.4113 1.86742 55.4813 -17.3639 59.2623 1.4419 TIMING: 4571600 CPU: 13730.6, 0.00295095/step Wall: 13730.6, 0.00295095/step, 0.351163 hours remaining, 211.585938 MB of memory in use. ENERGY: 4571600 730.5948 2098.0891 1948.4985 121.8397 -206409.1470 17912.8526 0.0000 0.0000 34150.7714 -149446.5009 298.2472 -183597.2724 -149358.8594 298.7119 2.7465 31.6602 557803.0353 2.7976 2.9475 PRESSURE: 4571800 24.553 -31.8327 1.86378 -31.8322 46.1511 -62.9881 1.86449 -62.9888 -196.493 GPRESSURE: 4571800 -39.5818 -37.0971 -35.8024 -34.7503 145.783 -98.3875 -14.3401 -105.03 -135.927 PRESSAVG: 4571800 -28.5018 7.22605 -0.951112 7.22591 23.6102 43.2127 -0.951105 43.2127 22.6025 GPRESSAVG: 4571800 -29.3311 5.90906 0.721529 8.82516 23.6817 45.9356 -1.31584 43.1852 23.3861 TIMING: 4571800 CPU: 13731.2, 0.00296841/step Wall: 13731.2, 0.00296841/step, 0.353076 hours remaining, 211.585938 MB of memory in use. ENERGY: 4571800 737.0744 2099.7958 1958.5171 101.5554 -206398.0033 17935.7957 0.0000 0.0000 34170.5264 -149394.7386 298.4197 -183565.2650 -149298.2078 298.5961 -41.9296 -9.9085 559493.4980 5.9036 5.9122 PRESSURE: 4572000 -162.416 -94.8642 17.3047 -94.8639 267.464 -96.5861 17.3057 -96.5868 -50.227 GPRESSURE: 4572000 -38.0858 -73.7369 10.6552 -28.2173 197.791 -14.4099 -43.4363 -142.197 -8.97088 PRESSAVG: 4572000 -3.4355 -12.9643 -50.6417 -12.9642 47.4937 -22.5282 -50.6417 -22.5283 -38.9907 GPRESSAVG: 4572000 -3.61377 -10.9789 -51.0353 -12.1638 47.1122 -24.4939 -51.5805 -22.3851 -38.3447 TIMING: 4572000 CPU: 13731.8, 0.00297043/step Wall: 13731.8, 0.00297043/step, 0.353151 hours remaining, 211.585938 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: 4572000 705.3694 2024.9047 1949.1696 107.9347 -206223.7054 17856.7669 0.0000 0.0000 34215.6943 -149363.8657 298.8142 -183579.5600 -149265.3117 298.4337 18.2738 50.2449 556460.5067 1.6892 1.7179 PRESSURE: 4572200 61.2779 -30.9597 195.058 -30.9588 -105.239 50.0863 195.056 50.0847 -233.542 GPRESSURE: 4572200 65.3072 -27.0079 211.336 -6.5111 -44.496 65.4466 208.402 5.44296 -202.934 PRESSAVG: 4572200 -2.0583 -7.50629 0.268702 -7.50634 81.6249 12.3413 0.268637 12.3413 -77.4223 GPRESSAVG: 4572200 -1.62617 -9.25418 -0.778676 -6.52142 83.47 13.5406 1.12087 10.4674 -79.2887 TIMING: 4572200 CPU: 13732.4, 0.0029586/step Wall: 13732.4, 0.0029586/step, 0.35158 hours remaining, 211.585938 MB of memory in use. ENERGY: 4572200 747.1226 2100.1153 1930.2806 111.6990 -205894.9147 17611.2608 0.0000 0.0000 34210.2505 -149184.1859 298.7666 -183394.4364 -149085.2968 298.6774 -92.5011 -60.7077 558335.8461 0.7148 0.8517 LDB: ============= START OF LOAD BALANCING ============== 13735.9 LDB: ============== END OF LOAD BALANCING =============== 13735.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13735.9 LDB: ============= START OF LOAD BALANCING ============== 13736.2 LDB: Largest compute 4772 load 0.028281 is 23.9% of average load 0.118159 LDB: Average compute 0.001732 is 1.5% of average load 0.118159 LDB: TIME 13736.2 LOAD: AVG 0.118159 MAX 0.20684 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.547 MB LDB: TIME 13736.2 LOAD: AVG 0.118159 MAX 0.20684 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.547 MB LDB: TIME 13736.2 LOAD: AVG 0.118159 MAX 0.20684 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.547 MB LDB: ============== END OF LOAD BALANCING =============== 13736.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13736.2 PRESSURE: 4572400 -121.854 95.6439 66.5928 95.6443 49.6669 169.778 66.5915 169.778 105.284 GPRESSURE: 4572400 -60.1563 148.85 53.4238 11.3554 46.4931 191.72 41.7357 98.066 152.151 PRESSAVG: 4572400 13.7336 3.51907 31.129 3.5192 0.849546 30.3011 31.1291 30.3011 8.80349 GPRESSAVG: 4572400 13.6269 6.02551 30.2667 2.92309 0.272205 29.8639 32.2962 31.8113 9.80566 TIMING: 4572400 CPU: 13733, 0.00302056/step Wall: 13733, 0.00302056/step, 0.358776 hours remaining, 208.011719 MB of memory in use. ENERGY: 4572400 721.7269 2037.7292 1938.8349 107.0577 -205708.5775 17585.9204 0.0000 0.0000 34061.8658 -149255.4426 297.4707 -183317.3084 -149159.6663 299.1146 11.0325 46.1626 558018.7534 7.7956 7.9016 PRESSURE: 4572600 -118.381 4.32407 101.279 4.32446 71.0438 -2.39992 101.28 -2.39865 20.4827 GPRESSURE: 4572600 -111.323 125.082 106.09 -47.9218 87.1412 134.228 74.8247 -71.9875 88.9366 PRESSAVG: 4572600 -52.8949 -23.9373 16.0232 -23.9375 -5.96313 -30.1697 16.0232 -30.1697 47.1636 GPRESSAVG: 4572600 -53.69 -24.0973 16.891 -27.1032 -5.61875 -30.8817 15.0982 -29.5895 47.1413 TIMING: 4572600 CPU: 13733.6, 0.00298335/step Wall: 13733.6, 0.00298335/step, 0.35419 hours remaining, 208.011719 MB of memory in use. ENERGY: 4572600 778.8426 2019.2824 1935.3569 132.9934 -206036.8141 17742.7480 0.0000 0.0000 34372.4321 -149055.1585 300.1830 -183427.5907 -148959.6570 298.9735 -8.9516 21.5848 556138.5126 -3.8981 -4.0558 PRESSURE: 4572800 80.4231 147.073 7.71152 147.073 -200.131 23.5242 7.71165 23.525 -5.99273 GPRESSURE: 4572800 100.948 115.301 -33.4219 180.739 -125.373 88.3255 -25.1148 -38.5827 -14.3347 PRESSAVG: 4572800 15.5008 6.09738 18.4884 6.09738 -27.4645 -8.24455 18.4883 -8.24466 25.2817 GPRESSAVG: 4572800 15.1344 5.83367 18.247 8.6657 -27.3831 -9.55995 16.9606 -8.55746 25.3317 TIMING: 4572800 CPU: 13734.2, 0.00297532/step Wall: 13734.2, 0.00297532/step, 0.353071 hours remaining, 208.011719 MB of memory in use. ENERGY: 4572800 730.6352 2039.4577 1969.5456 110.5987 -205999.6529 17682.3282 0.0000 0.0000 34404.4667 -149062.6208 300.4628 -183467.0875 -148968.3284 299.7367 -41.9001 -12.9199 558636.8374 4.4393 4.3610 PRESSURE: 4573000 -15.9104 -108.301 -74.3675 -108.301 -0.171829 17.4206 -74.3666 17.4204 22.8188 GPRESSURE: 4573000 25.0324 -48.5806 -39.5538 -20.071 13.0182 -13.1674 -119.696 -3.62867 79.6596 PRESSAVG: 4573000 27.3746 4.02103 62.3428 4.02109 68.5059 -12.7033 62.3428 -12.7034 -50.3125 GPRESSAVG: 4573000 28.4669 2.04423 66.0351 4.86457 68.2703 -9.19942 63.2984 -12.9296 -50.7041 TIMING: 4573000 CPU: 13734.8, 0.00298311/step Wall: 13734.8, 0.00298311/step, 0.35383 hours remaining, 208.011719 MB of memory in use. ENERGY: 4573000 732.0393 2098.7157 1951.4139 113.3700 -206104.6734 17876.0654 0.0000 0.0000 34298.6385 -149034.4307 299.5385 -183333.0692 -148929.7153 299.4407 2.2455 39.2368 558468.1702 15.1893 15.3444 PRESSURE: 4573200 142.05 -48.6492 -56.2911 -48.6489 92.973 -41.4643 -56.2895 -41.4655 -8.72381 GPRESSURE: 4573200 161.55 -10.0455 -115.334 -5.58105 115.163 -18.716 -102.835 -45.613 33.6034 PRESSAVG: 4573200 28.6275 28.164 -12.8744 28.1639 46.0813 -21.5797 -12.8744 -21.5797 -87.7229 GPRESSAVG: 4573200 28.3203 30.8028 -14.6618 25.4831 45.417 -23.6463 -12.29 -20.1725 -86.5045 TIMING: 4573200 CPU: 13735.4, 0.00298439/step Wall: 13735.4, 0.00298439/step, 0.353816 hours remaining, 208.011719 MB of memory in use. ENERGY: 4573200 743.6778 2058.0928 1953.1359 104.0710 -206303.4153 18011.3649 0.0000 0.0000 34340.2248 -149092.8481 299.9017 -183433.0729 -148996.4602 299.7317 75.4332 103.4386 557367.5837 -4.3380 -4.2557 PRESSURE: 4573400 -211.162 95.0455 -109.44 95.0455 -68.4209 -60.8703 -109.441 -60.8697 -224.346 GPRESSURE: 4573400 -200.328 43.702 -75.8892 110.793 -32.7696 -135.999 -160.717 43.7825 -164.662 PRESSAVG: 4573400 -64.2772 57.668 -37.7728 57.668 104.733 -38.0477 -37.7728 -38.0476 -46.564 GPRESSAVG: 4573400 -64.0107 55.7226 -39.4573 60.1137 105.961 -36.5641 -37.104 -38.9134 -47.7576 TIMING: 4573400 CPU: 13735.9, 0.00297008/step Wall: 13735.9, 0.00297008/step, 0.351954 hours remaining, 208.011719 MB of memory in use. ENERGY: 4573400 789.8321 2108.9421 1934.0794 112.3669 -206141.7315 17537.2938 0.0000 0.0000 34503.0544 -149156.1627 301.3238 -183659.2172 -149060.5657 299.9016 -167.9763 -132.5866 556803.4885 -2.0362 -1.9358 PRESSURE: 4573600 -98.6286 172.861 -92.6127 172.863 -44.9717 -168.885 -92.6138 -168.883 36.3986 GPRESSURE: 4573600 -37.1188 76.8432 -62.7176 187.338 -49.0648 -136.04 -210.624 -189.967 86.6977 PRESSAVG: 4573600 -25.4067 15.1215 -22.9087 15.1215 92.7945 -19.9102 -22.9087 -19.9102 -48.0352 GPRESSAVG: 4573600 -25.6081 16.0637 -22.1341 10.9878 91.9648 -21.5865 -24.5257 -17.8763 -46.7456 TIMING: 4573600 CPU: 13736.5, 0.00298408/step Wall: 13736.5, 0.00298408/step, 0.353448 hours remaining, 208.011719 MB of memory in use. ENERGY: 4573600 744.6515 2119.3096 1928.2662 123.2585 -205859.5811 17503.9660 0.0000 0.0000 34246.1848 -149193.9446 299.0804 -183440.1294 -149102.0867 299.2433 -35.7339 0.1714 556244.2723 6.4509 6.5370 PRESSURE: 4573800 44.7215 -74.3833 60.8058 -74.3825 -274.625 -63.0809 60.8074 -63.0785 -196.94 GPRESSURE: 4573800 86.367 12.6682 44.0059 -82.7052 -255.228 -44.8955 118.21 1.96686 -157.407 PRESSAVG: 4573800 29.3229 -21.1032 -55.6089 -21.1032 -2.05069 12.8191 -55.6088 12.8191 17.7314 GPRESSAVG: 4573800 28.8391 -23.6109 -55.8334 -16.3383 -1.19253 12.8175 -54.8846 11.1228 16.8273 TIMING: 4573800 CPU: 13737.1, 0.0030027/step Wall: 13737.1, 0.0030027/step, 0.355487 hours remaining, 208.011719 MB of memory in use. ENERGY: 4573800 750.8829 2052.1113 1964.0182 116.4986 -205821.7397 17505.1806 0.0000 0.0000 34248.9770 -149184.0710 299.1048 -183433.0480 -149087.5842 300.2204 -142.2813 -108.7558 557535.7678 15.0012 14.8246 PRESSURE: 4574000 -119.689 -116.915 60.8759 -116.916 -128.01 -165.343 60.8745 -165.342 219.258 GPRESSURE: 4574000 -77.4727 -102.064 22.8475 -115.07 -67.6925 -131.483 39.2892 -128.031 209.898 PRESSAVG: 4574000 10.3687 -32.6445 1.63956 -32.6445 8.74231 -57.1884 1.63946 -57.1883 -40.6875 GPRESSAVG: 4574000 10.5095 -32.7723 2.85889 -33.6143 8.09007 -57.0968 1.34605 -59.1625 -40.1204 TIMING: 4574000 CPU: 13737.7, 0.00301146/step Wall: 13737.7, 0.00301146/step, 0.356356 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: 4574000 761.7125 2107.7113 1952.6399 117.5309 -205805.3573 17608.9811 0.0000 0.0000 34212.9817 -149043.8000 298.7905 -183256.7817 -148942.6858 299.4566 -9.4804 21.5778 557846.0146 -7.1922 -7.1736 PRESSURE: 4574200 102.327 -39.273 -60.7631 -39.2732 -88.1815 -157.269 -60.7627 -157.271 -384.05 GPRESSURE: 4574200 146.706 -50.5415 -59.1247 -14.0935 -40.1259 -108.567 -37.9284 -143.656 -374.821 PRESSAVG: 4574200 43.4088 -5.94899 33.8872 -5.94897 -21.9226 -31.6157 33.8871 -31.6156 -30.2631 GPRESSAVG: 4574200 43.8595 -3.48784 32.4308 -6.53601 -21.7375 -29.4822 34.2189 -31.4094 -30.7457 TIMING: 4574200 CPU: 13738.3, 0.00297539/step Wall: 13738.3, 0.00297539/step, 0.351922 hours remaining, 208.156250 MB of memory in use. ENERGY: 4574200 788.2330 2019.9085 1928.8901 110.1306 -206137.4059 17735.7431 0.0000 0.0000 34487.9514 -149066.5493 301.1919 -183554.5007 -148968.0701 299.5610 -123.3015 -89.4134 556186.9667 -2.9257 -2.8746 PRESSURE: 4574400 33.3397 -83.0198 -86.6345 -83.0215 132.316 -118.28 -86.635 -118.278 -21.3124 GPRESSURE: 4574400 123.402 -135.275 -187.93 -114.878 162.127 -126.283 -74.2317 -85.5234 -35.5922 PRESSAVG: 4574400 -20.651 -55.6182 -9.2139 -55.6182 63.312 -42.0423 -9.21394 -42.0423 -28.1941 GPRESSAVG: 4574400 -21.1897 -58.8966 -8.99664 -53.4616 63.8578 -40.0871 -8.51386 -43.0011 -28.0941 TIMING: 4574400 CPU: 13738.9, 0.00297495/step Wall: 13738.9, 0.00297495/step, 0.351705 hours remaining, 208.156250 MB of memory in use. ENERGY: 4574400 709.1607 2061.5077 1957.4382 97.1051 -205866.7581 17767.7588 0.0000 0.0000 34289.4880 -148984.2995 299.4586 -183273.7876 -148888.4826 299.8233 48.1145 83.3125 557102.9013 4.8223 4.8580 PRESSURE: 4574600 -284.995 -96.9426 44.9361 -96.9431 368.978 -3.90412 44.9358 -3.90396 -124.687 GPRESSURE: 4574600 -236.826 20.9755 103.742 -66.3003 380.758 21.8279 65.0125 -28.7497 -67.1561 PRESSAVG: 4574600 11.1065 -22.9356 -11.6591 -22.9357 43.3336 21.0213 -11.6591 21.0214 -23.683 GPRESSAVG: 4574600 11.291 -19.1826 -11.9848 -27.2605 44.4176 20.0698 -12.0756 21.9579 -24.2826 TIMING: 4574600 CPU: 13739.5, 0.00295087/step Wall: 13739.5, 0.00295087/step, 0.348695 hours remaining, 208.156250 MB of memory in use. ENERGY: 4574600 760.8043 2064.5426 1967.8431 106.3217 -206029.6623 17730.7154 0.0000 0.0000 34459.9360 -148939.4992 300.9472 -183399.4352 -148841.7438 300.2967 -13.5678 25.5918 558242.7136 10.2524 10.4753 PRESSURE: 4574800 20.5571 85.1642 -146.898 85.1634 44.8914 -78.6567 -146.897 -78.6555 103.211 GPRESSURE: 4574800 105.428 81.5117 -145.333 -5.95094 50.9176 -34.1661 -131.959 -27.8627 114.318 PRESSAVG: 4574800 -51.7283 -4.20643 -19.2946 -4.20646 41.5311 31.594 -19.2946 31.5939 14.2247 GPRESSAVG: 4574800 -51.4261 -7.22119 -20.3663 -3.44995 40.895 30.4315 -18.7931 30.9199 14.5106 TIMING: 4574800 CPU: 13740.1, 0.00295824/step Wall: 13740.1, 0.00295824/step, 0.349401 hours remaining, 208.156250 MB of memory in use. ENERGY: 4574800 761.1058 2017.1131 1960.7957 110.5766 -206597.4297 18044.3002 0.0000 0.0000 34726.3264 -148977.2119 303.2736 -183703.5384 -148876.0940 300.4614 56.2198 90.2212 558061.5911 1.3425 1.3265 PRESSURE: 4575000 -131.941 112.428 45.0444 112.428 41.01 242.461 45.045 242.464 483.791 GPRESSURE: 4575000 -95.3171 53.6342 51.27 13.4477 94.205 271.194 4.72912 162.729 496.377 PRESSAVG: 4575000 -30.3814 47.8835 -7.55316 47.8836 -31.9196 -60.638 -7.55314 -60.638 31.9796 GPRESSAVG: 4575000 -28.8953 47.6809 -4.91148 48.5366 -32.7485 -61.1184 -8.61636 -58.2384 31.8742 TIMING: 4575000 CPU: 13740.7, 0.00292195/step Wall: 13740.7, 0.00292195/step, 0.344952 hours remaining, 208.156250 MB of memory in use. ENERGY: 4575000 742.4832 2089.3947 1975.3760 115.3106 -206664.5754 18241.0730 0.0000 0.0000 34470.9636 -149029.9742 301.0435 -183500.9379 -148926.5815 300.0188 130.9533 165.0884 557542.6047 -10.1071 -9.9232 PRESSURE: 4575200 42.8625 79.7235 9.17718 79.7234 111.946 72.7629 9.17683 72.7629 301.515 GPRESSURE: 4575200 100.314 64.3321 85.9694 178.978 117.142 138.375 -18.4617 41.3378 333.124 PRESSAVG: 4575200 -37.7684 -26.3481 -36.2051 -26.3481 -57.4436 -29.1367 -36.2051 -29.1365 66.892 GPRESSAVG: 4575200 -37.9938 -25.1613 -36.2847 -26.7956 -56.9385 -27.1052 -37.9937 -29.5618 66.6835 TIMING: 4575200 CPU: 13741.3, 0.00295864/step Wall: 13741.3, 0.00295864/step, 0.349119 hours remaining, 208.156250 MB of memory in use. ENERGY: 4575200 723.9815 2057.9861 1964.8939 99.9305 -206118.6048 17965.9693 0.0000 0.0000 34175.2648 -149130.5788 298.4611 -183305.8435 -149033.8332 299.7718 152.1078 183.5264 556479.3943 -9.4400 -9.4162 PRESSURE: 4575400 55.5299 -92.063 -124.594 -92.0629 -23.8237 115.077 -124.593 115.075 -67.1551 GPRESSURE: 4575400 69.22 -25.1978 -70.5013 -67.6634 5.45265 78.1906 -175.265 107.319 -23.4321 PRESSAVG: 4575400 -18.3695 10.8793 -39.3465 10.8792 -17.5634 -41.8075 -39.3464 -41.8075 65.6951 GPRESSAVG: 4575400 -19.2372 11.8542 -41.2235 8.92724 -17.5439 -42.6586 -37.3954 -42.2721 66.6341 TIMING: 4575400 CPU: 13741.9, 0.00293915/step Wall: 13741.9, 0.00293915/step, 0.346656 hours remaining, 208.156250 MB of memory in use. ENERGY: 4575400 776.6925 2082.4601 1967.2415 103.8761 -206203.9347 17816.0291 0.0000 0.0000 34245.6602 -149211.9751 299.0759 -183457.6353 -149108.7612 298.8517 -11.8163 17.0802 556888.7051 9.9207 9.9510 PRESSURE: 4575600 -215.307 -64.7472 -24.586 -64.7476 -92.0549 92.0773 -24.5865 92.0763 6.31171 GPRESSURE: 4575600 -141.858 -50.5558 -0.827458 -95.7816 -96.823 133.653 -54.9882 96.7237 44.2558 PRESSAVG: 4575600 -38.2475 -48.4225 16.9375 -48.4224 6.83697 14.5195 16.9375 14.5195 23.915 GPRESSAVG: 4575600 -37.8707 -49.3298 19.7567 -46.1424 7.83945 13.791 15.6387 14.3568 23.1107 TIMING: 4575600 CPU: 13742.5, 0.0029268/step Wall: 13742.5, 0.0029268/step, 0.345037 hours remaining, 208.156250 MB of memory in use. ENERGY: 4575600 726.3813 2040.3833 1937.3763 110.3955 -205855.3986 17557.6426 0.0000 0.0000 34309.3584 -149173.8612 299.6322 -183483.2196 -149078.8386 299.4972 -100.3500 -64.8085 556748.8867 -2.4985 -2.3069 PRESSURE: 4575800 74.047 130.198 37.6615 130.199 50.4372 -118.888 37.6621 -118.889 17.7806 GPRESSURE: 4575800 95.2097 83.31 73.5611 163.327 92.0459 -217.199 0.88367 -44.9104 41.3416 PRESSAVG: 4575800 -17.2255 6.81543 -8.95128 6.81542 5.95521 18.2466 -8.95127 18.2466 -7.10944 GPRESSAVG: 4575800 -16.6429 8.06966 -11.711 3.85801 5.60526 18.1704 -8.30706 18.4206 -7.48053 TIMING: 4575800 CPU: 13743.1, 0.00297941/step Wall: 13743.1, 0.00297941/step, 0.351074 hours remaining, 208.156250 MB of memory in use. ENERGY: 4575800 750.3258 2113.8549 1941.0918 114.6167 -206492.2725 17872.9747 0.0000 0.0000 34420.1111 -149279.2976 300.5994 -183699.4087 -149182.0946 299.5546 47.4216 76.1990 556214.5041 -6.1266 -6.1727 PRESSURE: 4576000 -155.586 113.733 -110.875 113.732 -197.971 -104.362 -110.874 -104.364 -30.7015 GPRESSURE: 4576000 -151.996 41.9551 -101.667 194.709 -143.09 -8.92406 -146.422 -183.438 21.4323 PRESSAVG: 4576000 -32.4791 39.6141 35.4703 39.6142 5.16318 71.7548 35.4704 71.7548 36.6737 GPRESSAVG: 4576000 -33.3426 40.2835 38.0445 42.7916 4.86255 72.1156 35.0345 70.6639 37.8116 TIMING: 4576000 CPU: 13743.7, 0.00295739/step Wall: 13743.7, 0.00295739/step, 0.348315 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: 4576000 741.8285 2098.1246 1959.1795 114.0047 -206054.2985 17663.1097 0.0000 0.0000 34535.8735 -148942.1779 301.6104 -183478.0514 -148846.2497 300.3986 -128.0862 -91.2180 556636.3974 3.1193 3.1105 PRESSURE: 4576200 -181.708 -29.5163 -52.989 -29.5168 -202.265 120.103 -52.9894 120.104 15.4656 GPRESSURE: 4576200 -132.941 -15.9193 -10.2298 -5.1336 -173.984 109.788 -15.7886 135.357 29.383 PRESSAVG: 4576200 -103.613 -13.3803 -49.441 -13.3802 4.9792 12.4772 -49.441 12.4771 43.1034 GPRESSAVG: 4576200 -103.62 -14.5189 -49.9724 -14.3913 5.43279 13.4319 -50.6817 14.7101 42.282 TIMING: 4576200 CPU: 13744.3, 0.00298742/step Wall: 13744.3, 0.00298742/step, 0.351686 hours remaining, 208.156250 MB of memory in use. ENERGY: 4576200 761.3701 2113.1354 1954.8667 118.6396 -205908.2459 17646.0904 0.0000 0.0000 34502.6855 -148811.4582 301.3205 -183314.1436 -148723.1987 300.0174 -122.8359 -92.5137 559052.1684 -18.5101 -18.6352 LDB: ============= START OF LOAD BALANCING ============== 13747.8 LDB: ============== END OF LOAD BALANCING =============== 13747.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13747.8 LDB: ============= START OF LOAD BALANCING ============== 13748.1 LDB: Largest compute 4796 load 0.026243 is 22.2% of average load 0.118324 LDB: Average compute 0.001734 is 1.5% of average load 0.118324 LDB: TIME 13748.1 LOAD: AVG 0.118324 MAX 0.20973 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.488 MB LDB: TIME 13748.1 LOAD: AVG 0.118324 MAX 0.20973 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.723 MB LDB: TIME 13748.1 LOAD: AVG 0.118324 MAX 0.20973 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.723 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13748.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13748.1 PRESSURE: 4576400 -64.8861 -130.11 -39.0061 -130.109 -260.715 0.500612 -39.0064 0.502935 -178.941 GPRESSURE: 4576400 -67.8568 -197.455 10.0034 -109.917 -186.225 12.6116 -76.5621 -68.0498 -145.808 PRESSAVG: 4576400 -35.318 24.602 5.66686 24.6021 25.9966 -9.46812 5.66683 -9.46825 38.5006 GPRESSAVG: 4576400 -35.82 21.923 6.10352 26.2792 24.6252 -8.2385 6.40575 -10.788 40.2393 TIMING: 4576400 CPU: 13744.9, 0.00304356/step Wall: 13744.9, 0.00304356/step, 0.358125 hours remaining, 209.484375 MB of memory in use. ENERGY: 4576400 731.3761 2087.3241 1985.2450 103.0085 -205450.1199 17402.0958 0.0000 0.0000 34292.8244 -148848.2460 299.4878 -183141.0704 -148744.0581 300.4617 -168.1807 -133.2963 557994.2874 9.7264 9.6815 PRESSURE: 4576600 38.9663 -93.0959 -85.5752 -93.0937 23.4561 103.764 -85.5756 103.762 -8.47242 GPRESSURE: 4576600 94.3767 -187.894 -208.01 0.648856 64.7311 18.1379 -124.224 160.663 2.34929 PRESSAVG: 4576600 -10.7088 -48.9553 -68.9618 -48.9552 52.8912 44.8322 -68.9619 44.8322 -55.3678 GPRESSAVG: 4576600 -9.92938 -47.1462 -70.1539 -48.4886 53.5135 43.1515 -69.8163 45.4157 -56.2049 TIMING: 4576600 CPU: 13745.5, 0.00295968/step Wall: 13745.5, 0.00295968/step, 0.348092 hours remaining, 209.484375 MB of memory in use. ENERGY: 4576600 725.5369 2112.5195 1938.8136 117.1589 -206065.1157 17711.0140 0.0000 0.0000 34459.4211 -149000.6516 300.9427 -183460.0727 -148902.9841 300.0386 17.9833 53.8190 555948.6756 -4.3951 -4.2070 PRESSURE: 4576800 -24.5161 -78.5175 -18.115 -78.5166 61.6781 -22.8587 -18.1157 -22.8577 84.3205 GPRESSURE: 4576800 -20.3176 -76.4555 -3.23077 41.3154 115.523 -5.29051 -1.61512 -60.3644 115.807 PRESSAVG: 4576800 37.1684 -26.728 -34.09 -26.7281 -0.709172 -50.4009 -34.0901 -50.4009 -44.9835 GPRESSAVG: 4576800 36.65 -27.0683 -35.6021 -27.4339 0.639076 -50.1202 -32.6673 -50.7777 -45.8753 TIMING: 4576800 CPU: 13746, 0.00298741/step Wall: 13746, 0.00298741/step, 0.351186 hours remaining, 209.484375 MB of memory in use. ENERGY: 4576800 713.0283 2134.8201 1965.3526 112.4844 -206029.4519 17616.4226 0.0000 0.0000 34366.7682 -149120.5756 300.1335 -183487.3438 -149027.5261 300.6510 40.4942 70.3376 555421.2678 -2.8414 -2.8621 PRESSURE: 4577000 -56.2591 -104.178 -145.106 -104.178 -126.395 171.524 -145.106 171.524 -192.82 GPRESSURE: 4577000 -75.1786 -75.6448 -151.57 0.848364 -99.7585 130.897 -105.432 195.882 -94.9148 PRESSAVG: 4577000 17.0054 -45.9472 -50.0904 -45.9472 57.531 7.87433 -50.0904 7.87431 -85.787 GPRESSAVG: 4577000 17.6317 -44.7523 -47.7394 -45.776 56.9788 8.99769 -51.1757 8.44655 -85.6916 TIMING: 4577000 CPU: 13746.6, 0.00297092/step Wall: 13746.6, 0.00297092/step, 0.349083 hours remaining, 209.484375 MB of memory in use. ENERGY: 4577000 767.0187 2047.1725 1944.7597 101.2008 -206036.4429 17576.9762 0.0000 0.0000 34295.0808 -149304.2343 299.5075 -183599.3151 -149207.1662 299.3216 -125.1582 -89.9506 556171.7053 -3.7502 -3.6937 PRESSURE: 4577200 -40.9948 87.8488 -135.475 87.8489 -217.089 140.819 -135.474 140.818 -78.8386 GPRESSURE: 4577200 -17.4357 89.1104 -130.329 77.4436 -157.617 229.911 -167.518 97.0138 -66.0548 PRESSAVG: 4577200 50.3514 -55.0377 -0.263766 -55.0377 12.4297 35.8875 -0.263801 35.8873 -30.181 GPRESSAVG: 4577200 49.4891 -56.1925 -3.02692 -53.7861 12.1326 36.2781 2.3686 35.5473 -29.2334 TIMING: 4577200 CPU: 13747.2, 0.00295002/step Wall: 13747.2, 0.00295002/step, 0.346464 hours remaining, 209.484375 MB of memory in use. ENERGY: 4577200 732.9658 2115.3862 1935.8202 115.9391 -206189.9256 17600.4326 0.0000 0.0000 34188.5141 -149500.8677 298.5768 -183689.3818 -149414.5464 299.1966 -112.3073 -80.3692 556884.1860 10.8667 10.7961 PRESSURE: 4577400 -192.25 -54.1089 -10.8356 -54.1091 -39.1841 121.705 -10.8344 121.704 -107.434 GPRESSURE: 4577400 -194.788 -72.5477 42.011 -94.6304 17.114 109.187 50.7303 58.2958 -47.7003 PRESSAVG: 4577400 7.50229 13.8397 18.1358 13.8397 25.2389 3.54644 18.1359 3.54651 -49.8329 GPRESSAVG: 4577400 8.01447 14.4496 20.1428 12.5345 25.4926 1.5248 17.5323 4.48055 -50.8181 TIMING: 4577400 CPU: 13747.8, 0.00296831/step Wall: 13747.8, 0.00296831/step, 0.348447 hours remaining, 209.484375 MB of memory in use. ENERGY: 4577400 728.7444 2063.8753 1966.9872 103.5313 -206219.6329 17769.0549 0.0000 0.0000 34290.2473 -149297.1924 299.4653 -183587.4397 -149198.6172 298.6398 -112.9562 -75.1248 558085.0547 -5.6972 -5.7703 PRESSURE: 4577600 154.962 46.2103 130.816 46.2099 47.6836 25.0361 130.817 25.0362 27.0188 GPRESSURE: 4577600 200.236 -12.3352 121.781 82.258 30.4101 26.8524 129.66 70.8158 96.6113 PRESSAVG: 4577600 -29.7214 -34.2484 -41.9968 -34.2485 29.3235 21.1218 -41.9968 21.1218 -1.35847 GPRESSAVG: 4577600 -31.5855 -35.7663 -43.4235 -34.7002 29.9091 22.2528 -41.905 19.0264 -0.311712 TIMING: 4577600 CPU: 13748.4, 0.00297216/step Wall: 13748.4, 0.00297216/step, 0.348733 hours remaining, 209.484375 MB of memory in use. ENERGY: 4577600 758.7057 2131.8415 1910.2200 103.6752 -206519.3883 17890.1721 0.0000 0.0000 34448.1830 -149276.5908 300.8446 -183724.7738 -149176.8862 299.6692 76.5549 109.0857 556154.8306 -0.5855 -0.6627 PRESSURE: 4577800 -16.1794 -72.2146 7.55148 -72.2146 -239.97 93.5945 7.55255 93.5935 195.239 GPRESSURE: 4577800 10.2095 -62.2644 53.0584 -112.066 -190.496 44.5411 -32.2614 61.0854 225.448 PRESSAVG: 4577800 81.5733 -43.0512 24.9015 -43.0512 -37.808 -38.7334 24.9014 -38.7334 -8.03855 GPRESSAVG: 4577800 82.9348 -42.7274 25.3794 -42.2386 -37.9902 -36.4553 23.587 -37.8963 -8.6117 TIMING: 4577800 CPU: 13749, 0.0029713/step Wall: 13749, 0.0029713/step, 0.348467 hours remaining, 209.484375 MB of memory in use. ENERGY: 4577800 745.9767 2093.5331 1929.2955 102.0286 -205836.2360 17564.9915 0.0000 0.0000 34165.5286 -149234.8820 298.3761 -183400.4106 -149130.3275 299.0877 -20.3034 15.0539 557619.5618 11.9089 12.1110 PRESSURE: 4578000 207.295 87.3168 -118.809 87.3162 96.061 -141.605 -118.81 -141.605 210.074 GPRESSURE: 4578000 225.02 50.8142 -113.781 5.60275 164.412 -85.4166 -93.8376 -109.201 229.022 PRESSAVG: 4578000 2.10778 -31.4144 14.5979 -31.4143 -7.79948 -19.6432 14.5979 -19.6431 1.16473 GPRESSAVG: 4578000 2.28573 -29.9133 15.6634 -31.7599 -8.22627 -21.5657 16.0958 -18.3837 1.07881 TIMING: 4578000 CPU: 13749.6, 0.00302552/step Wall: 13749.6, 0.00302552/step, 0.354658 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: 4578000 755.3313 2128.4336 1921.4758 106.7905 -206404.9356 18057.9912 0.0000 0.0000 34270.9414 -149163.9716 299.2967 -183434.9131 -149073.2460 299.3867 171.1434 206.1516 557489.6736 -1.5090 -1.6206 PRESSURE: 4578200 247.373 -149.306 61.6126 -149.307 224.108 33.3662 61.614 33.3653 37.8608 GPRESSURE: 4578200 257.827 -131.478 -41.3531 -93.8513 274.377 47.9755 141.28 -37.9013 67.9563 PRESSAVG: 4578200 11.3889 2.52152 26.5899 2.52164 37.4211 -11.3383 26.5898 -11.3383 -52.2747 GPRESSAVG: 4578200 11.495 1.91043 26.15 2.4535 36.8921 -12.306 26.8115 -12.1444 -51.4487 TIMING: 4578200 CPU: 13750.2, 0.0030306/step Wall: 13750.2, 0.0030306/step, 0.355085 hours remaining, 209.554688 MB of memory in use. ENERGY: 4578200 706.4387 2083.3133 1937.5967 117.0116 -206501.7811 18106.6676 0.0000 0.0000 34401.9458 -149148.8075 300.4407 -183550.7533 -149049.7564 299.4098 169.7805 200.0533 556670.3995 -1.1549 -1.0205 PRESSURE: 4578400 81.5568 11.8919 81.2997 11.8936 -199.774 -80.8172 81.2986 -80.816 86.9721 GPRESSURE: 4578400 93.1192 6.19491 38.7867 -3.29939 -111.231 -16.676 127.796 -107.733 84.1368 PRESSAVG: 4578400 12.2116 36.1957 32.2716 36.1957 -50.4504 -1.2053 32.2716 -1.20527 12.5426 GPRESSAVG: 4578400 12.8064 37.3835 30.7886 35.5206 -49.9083 -0.267368 33.2917 -3.6196 11.505 TIMING: 4578400 CPU: 13750.8, 0.00300688/step Wall: 13750.8, 0.00300688/step, 0.352139 hours remaining, 209.554688 MB of memory in use. ENERGY: 4578400 767.5365 2107.2988 1955.6567 115.2004 -206181.6370 17798.9526 0.0000 0.0000 34370.9948 -149065.9971 300.1704 -183436.9919 -148968.2447 300.8350 -10.4152 22.0085 556880.7279 -8.5654 -8.5323 PRESSURE: 4578600 2.56157 3.2652 21.8917 3.26565 129.22 6.29968 21.8917 6.30066 83.9656 GPRESSURE: 4578600 22.3642 43.082 10.7925 -23.9185 218.92 -16.7099 19.583 23.772 86.7514 PRESSAVG: 4578600 -24.9493 -16.1228 46.1341 -16.1227 26.4066 3.33631 46.1342 3.33635 -14.9568 GPRESSAVG: 4578600 -26.0106 -17.8044 47.451 -13.7463 26.2404 3.27609 44.3207 5.74322 -14.0671 TIMING: 4578600 CPU: 13751.4, 0.00300904/step Wall: 13751.4, 0.00300904/step, 0.352224 hours remaining, 209.554688 MB of memory in use. ENERGY: 4578600 752.7310 2123.0040 1935.1000 109.1211 -206518.4572 18061.9943 0.0000 0.0000 34588.7648 -148947.7422 302.0723 -183536.5069 -148862.5588 300.5475 71.9158 109.3451 556329.8587 -4.4998 -4.6124 PRESSURE: 4578800 -182.841 40.5151 -94.4873 40.5151 34.2335 -0.0376169 -94.4872 -0.0380619 -198.101 GPRESSURE: 4578800 -169.548 27.0344 -87.5299 48.4727 81.9111 -21.9339 -21.4211 -30.7018 -159.35 PRESSAVG: 4578800 28.1466 51.6922 12.5075 51.6922 17.5151 -55.3542 12.5074 -55.3542 -8.90883 GPRESSAVG: 4578800 27.5557 52.4501 12.8221 49.5793 17.7383 -54.5513 12.1977 -54.1776 -9.01238 TIMING: 4578800 CPU: 13752, 0.00300833/step Wall: 13752, 0.00300833/step, 0.351974 hours remaining, 209.554688 MB of memory in use. ENERGY: 4578800 776.4028 2078.0292 1952.9752 114.8346 -205898.1427 17744.9433 0.0000 0.0000 34187.2021 -149043.7555 298.5653 -183230.9576 -148940.6120 300.6388 -115.5696 -82.3291 558131.4113 12.2510 12.0939 PRESSURE: 4579000 -234.199 -51.7459 -51.2812 -51.7463 -348.503 -196.53 -51.2819 -196.529 -84.3262 GPRESSURE: 4579000 -211.342 -60.2689 -75.7051 -48.4379 -309.196 -221.058 4.95007 -233.36 -52.44 PRESSAVG: 4579000 3.52494 41.2024 -8.33207 41.2024 -41.0813 -75.2562 -8.33206 -75.2561 10.7465 GPRESSAVG: 4579000 4.24331 41.2259 -9.99237 42.3733 -41.1187 -75.7884 -8.553 -78.2233 9.73414 TIMING: 4579000 CPU: 13752.6, 0.00300564/step Wall: 13752.6, 0.00300564/step, 0.351493 hours remaining, 209.554688 MB of memory in use. ENERGY: 4579000 751.7132 2128.6748 1931.6581 112.5105 -205803.6995 17499.9625 0.0000 0.0000 34444.4461 -148934.7345 300.8119 -183379.1805 -148836.5962 300.3570 -222.3428 -190.9929 559099.3683 -8.9366 -9.0471 PRESSURE: 4579200 -155.92 -83.8076 72.9996 -83.8077 -263.449 -65.9939 72.9992 -65.992 -132.634 GPRESSURE: 4579200 -99.2613 -28.6428 150.053 -95.3789 -313.425 -106.654 69.5603 13.6717 -53.6069 PRESSAVG: 4579200 -33.8208 37.821 -14.2375 37.8208 79.0576 17.4083 -14.2376 17.4084 -58.7945 GPRESSAVG: 4579200 -32.282 39.5407 -13.4775 37.3709 77.4741 13.5876 -12.9806 21.3463 -58.5328 TIMING: 4579200 CPU: 13753.2, 0.00296936/step Wall: 13753.2, 0.00296936/step, 0.347086 hours remaining, 209.554688 MB of memory in use. ENERGY: 4579200 759.2142 2081.5036 1954.2324 117.5723 -205601.2451 17464.2573 0.0000 0.0000 34139.4801 -149084.9852 298.1486 -183224.4653 -148994.3878 299.9623 -184.0007 -155.4312 557418.5477 -4.5193 -4.4469 PRESSURE: 4579400 168.981 -26.7003 30.6789 -26.7002 -190.371 -89.4129 30.6778 -89.4135 24.3415 GPRESSURE: 4579400 174.318 38.6786 42.0309 -42.8982 -113.563 -12.2684 -46.0763 -104.603 34.8812 PRESSAVG: 4579400 0.407164 -0.872604 -4.17489 -0.872566 -17.1476 -17.6373 -4.17494 -17.6372 45.6657 GPRESSAVG: 4579400 -1.16655 -2.1338 -5.85802 -2.70004 -15.3088 -14.2223 -5.12299 -20.095 45.0577 TIMING: 4579400 CPU: 13753.8, 0.00297124/step Wall: 13753.8, 0.00297124/step, 0.34714 hours remaining, 209.554688 MB of memory in use. ENERGY: 4579400 745.1731 2079.3995 1960.2898 118.2256 -206026.8706 17677.7049 0.0000 0.0000 34442.2554 -149003.8223 300.7928 -183446.0777 -148904.8353 300.0512 0.9839 31.8788 556642.8542 9.6417 9.5275 PRESSURE: 4579600 111.852 154.086 -106.66 154.087 66.0069 -80.6843 -106.66 -80.6853 154.42 GPRESSURE: 4579600 125.34 149.328 -108.992 160.136 135.987 -41.7792 -74.2461 -86.0371 168.22 PRESSAVG: 4579600 -44.8331 19.7158 2.92764 19.7159 -6.29358 -24.419 2.92768 -24.4189 41.3743 GPRESSAVG: 4579600 -44.7905 20.9919 3.54522 19.4395 -7.67056 -25.6972 3.41878 -23.9989 42.588 TIMING: 4579600 CPU: 13754.4, 0.00295431/step Wall: 13754.4, 0.00295431/step, 0.344997 hours remaining, 209.554688 MB of memory in use. ENERGY: 4579600 735.5732 2103.9488 1961.7037 121.6066 -206092.1429 17854.4083 0.0000 0.0000 34327.4038 -148987.4985 299.7898 -183314.9023 -148889.8626 300.1483 110.7595 143.1825 558381.8556 -3.2508 -3.2910 PRESSURE: 4579800 -72.8223 -12.995 15.3963 -12.9965 -130.804 -144.253 15.3953 -144.254 308.243 GPRESSURE: 4579800 -20.9395 94.6202 -41.6201 -104.189 -34.4286 -153.925 39.4754 -122.222 265.578 PRESSAVG: 4579800 70.6567 -12.7554 -68.8546 -12.7554 -67.403 -23.9682 -68.8546 -23.9682 -22.3995 GPRESSAVG: 4579800 71.1784 -13.1824 -67.3435 -10.3379 -65.9591 -22.4774 -70.3506 -23.8992 -24.4866 TIMING: 4579800 CPU: 13755, 0.00296062/step Wall: 13755, 0.00296062/step, 0.34557 hours remaining, 209.554688 MB of memory in use. ENERGY: 4579800 797.4016 2059.6816 1928.1424 126.2307 -206197.3061 17757.3172 0.0000 0.0000 34471.2780 -149057.2545 301.0462 -183528.5325 -148964.3904 299.9949 34.8722 70.0700 556514.1877 -6.3819 -6.4224 PRESSURE: 4580000 -172.993 22.0307 -4.36997 22.0307 -10.3051 105.737 -4.36983 105.738 82.3437 GPRESSURE: 4580000 -104.176 40.0522 -44.6507 25.5428 34.1524 39.2766 -32.4098 112.776 71.0145 PRESSAVG: 4580000 55.6914 -16.6388 11.2632 -16.6388 -26.2338 -12.5915 11.2633 -12.5915 -53.5694 GPRESSAVG: 4580000 54.3862 -18.7204 11.968 -19.1997 -27.6675 -14.8154 11.8641 -11.5515 -50.9509 TIMING: 4580000 CPU: 13755.6, 0.00296468/step Wall: 13755.6, 0.00296468/step, 0.345879 hours remaining, 209.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4580000 765.5594 2065.5976 1953.6501 110.9551 -206051.1660 17838.7577 0.0000 0.0000 34271.2692 -149045.3770 299.2995 -183316.6462 -148949.1759 300.1910 -33.6514 0.3303 557596.2671 -8.0373 -8.0774 PRESSURE: 4580200 347.761 -96.1809 -196.586 -96.1805 -112.836 -105.463 -196.587 -105.462 -114.333 GPRESSURE: 4580200 347.977 -84.4051 -193.349 -90.383 -51.9303 -123.009 -162.463 -103.605 -73.8618 PRESSAVG: 4580200 62.8771 -32.8903 31.1295 -32.8904 -34.886 29.1072 31.1295 29.1071 -38.0406 GPRESSAVG: 4580200 63.0435 -33.1753 32.2989 -28.5352 -33.5695 30.1196 31.8292 28.5653 -38.9442 TIMING: 4580200 CPU: 13756.2, 0.00299476/step Wall: 13756.2, 0.00299476/step, 0.349223 hours remaining, 209.554688 MB of memory in use. ENERGY: 4580200 749.6149 2026.6591 1955.1671 126.0829 -206153.4223 17769.3677 0.0000 0.0000 34423.6359 -149102.8946 300.6302 -183526.5305 -149007.0445 299.8779 40.1971 74.0615 556559.0290 -3.3498 -3.1567 LDB: ============= START OF LOAD BALANCING ============== 13759.7 LDB: ============== END OF LOAD BALANCING =============== 13759.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13759.7 LDB: ============= START OF LOAD BALANCING ============== 13760 LDB: Largest compute 4772 load 0.026228 is 22.2% of average load 0.118115 LDB: Average compute 0.001736 is 1.5% of average load 0.118115 LDB: TIME 13760 LOAD: AVG 0.118115 MAX 0.207051 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.207 MB LDB: TIME 13760 LOAD: AVG 0.118115 MAX 0.207051 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.312 MB LDB: TIME 13760 LOAD: AVG 0.118115 MAX 0.207051 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.312 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13760 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13760 PRESSURE: 4580400 85.1332 114.325 -103.393 114.324 -267.286 -90.3408 -103.393 -90.3394 -76.4411 GPRESSURE: 4580400 73.94 126.971 -99.3559 134.6 -182.474 -80.566 -81.8268 -28.4274 -45.31 PRESSAVG: 4580400 48.3783 -76.2687 -9.3093 -76.2687 -54.6443 -30.5454 -9.30926 -30.5454 43.1151 GPRESSAVG: 4580400 49.1646 -76.6513 -10.0479 -79.7246 -54.5329 -29.7107 -11.1857 -31.1481 42.3648 TIMING: 4580400 CPU: 13756.8, 0.00302823/step Wall: 13756.8, 0.00302823/step, 0.352956 hours remaining, 210.324219 MB of memory in use. ENERGY: 4580400 750.9964 2075.4500 1964.3440 104.8635 -205513.8161 17589.0235 0.0000 0.0000 34195.8175 -148833.3212 298.6406 -183029.1387 -148739.3239 300.4352 -86.1981 -51.2813 558094.0209 12.2831 12.3322 PRESSURE: 4580600 31.2471 -108.73 -77.8882 -108.731 -104.549 20.1353 -77.8883 20.1354 282.596 GPRESSURE: 4580600 70.06 -116.799 -31.2248 -103.596 -23.7833 -34.9483 -137.415 -2.97264 255.932 PRESSAVG: 4580600 -21.0014 -14.6166 15.6902 -14.6167 -27.5971 8.52473 15.6903 8.52489 1.79213 GPRESSAVG: 4580600 -20.2136 -13.8558 14.181 -12.1776 -28.3669 6.92515 15.456 9.20399 1.336 TIMING: 4580600 CPU: 13757.4, 0.00299563/step Wall: 13757.4, 0.00299563/step, 0.348991 hours remaining, 210.593750 MB of memory in use. ENERGY: 4580600 770.9561 2098.1348 1948.1199 122.0817 -206131.2431 17813.9857 0.0000 0.0000 34294.8948 -149083.0701 299.5058 -183377.9649 -148982.9946 299.5732 69.7645 100.7361 556548.1356 -15.6021 -15.7481 PRESSURE: 4580800 303.694 104.642 96.8578 104.643 27.485 115.311 96.8558 115.313 8.38514 GPRESSURE: 4580800 331.186 25.4044 94.0432 149.93 95.7221 65.8339 138.134 173.308 -4.79171 PRESSAVG: 4580800 -15.8751 15.5273 -66.3189 15.5273 -30.4817 -15.1224 -66.319 -15.1223 42.8226 GPRESSAVG: 4580800 -17.5569 15.2761 -66.3835 15.6217 -29.7256 -13.8447 -65.4796 -14.5734 43.5253 TIMING: 4580800 CPU: 13758, 0.00299111/step Wall: 13758, 0.00299111/step, 0.348299 hours remaining, 210.593750 MB of memory in use. ENERGY: 4580800 723.1025 2109.8670 1943.7125 119.2237 -206451.3610 17971.3902 0.0000 0.0000 34378.0693 -149205.9958 300.2322 -183584.0650 -149105.7292 299.2099 113.1880 140.7053 556398.8210 -1.1781 -1.2524 PRESSURE: 4581000 30.8695 96.4272 -1.67913 96.4259 -164.455 -105.858 -1.67864 -105.859 -315.87 GPRESSURE: 4581000 41.0131 107.135 38.5971 58.9278 -126.006 -157.274 -63.0004 -85.8765 -254.816 PRESSAVG: 4581000 -30.1397 35.2289 -20.8838 35.2288 -19.502 -19.5631 -20.8836 -19.5631 2.55837 GPRESSAVG: 4581000 -28.9769 35.1179 -19.4081 33.8852 -20.6426 -19.9096 -22.5201 -19.4894 2.50765 TIMING: 4581000 CPU: 13758.6, 0.00300213/step Wall: 13758.6, 0.00300213/step, 0.349414 hours remaining, 210.593750 MB of memory in use. ENERGY: 4581000 753.1617 2078.0294 1929.1158 112.7281 -205969.5128 17546.3116 0.0000 0.0000 34317.7348 -149232.4313 299.7053 -183550.1661 -149141.0984 299.0094 -149.8186 -113.2696 558046.3775 -15.6945 -15.7039 PRESSURE: 4581200 44.9652 -25.4805 -93.2394 -25.4816 180.157 24.7474 -93.2395 24.7495 -120.926 GPRESSURE: 4581200 3.79292 -15.2542 -93.509 -38.4747 266.446 14.5989 -54.0269 37.4265 -69.7152 PRESSAVG: 4581200 -37.0158 -6.19245 14.8215 -6.19246 40.6851 10.2633 14.8216 10.2634 -9.23153 GPRESSAVG: 4581200 -37.9492 -7.69834 13.083 -5.21148 40.8971 8.42792 16.7845 13.7369 -8.94517 TIMING: 4581200 CPU: 13759.2, 0.00297818/step Wall: 13759.2, 0.00297818/step, 0.346462 hours remaining, 210.593750 MB of memory in use. ENERGY: 4581200 744.5894 2050.7479 1968.3873 117.4351 -205992.3303 17714.0942 0.0000 0.0000 34309.5342 -149087.5423 299.6337 -183397.0765 -148987.1020 298.7248 34.7320 66.8412 558357.5111 -1.8541 -1.9991 PRESSURE: 4581400 -128.569 51.3192 -51.6317 51.3197 -139.669 -71.8556 -51.6323 -71.8576 -172.311 GPRESSURE: 4581400 -127.125 10.6197 -63.0231 21.3192 -84.7545 -68.2428 -15.8659 -34.8555 -128.585 PRESSAVG: 4581400 37.5335 -18.9854 -15.1671 -18.9853 -23.8629 -14.0171 -15.1671 -14.0171 -41.7667 GPRESSAVG: 4581400 37.1378 -17.8686 -15.5554 -19.8349 -23.0126 -9.90799 -14.1436 -20.0443 -42.438 TIMING: 4581400 CPU: 13759.8, 0.00298389/step Wall: 13759.8, 0.00298389/step, 0.34696 hours remaining, 210.593750 MB of memory in use. ENERGY: 4581400 773.2909 2060.3684 1950.5282 114.6860 -205739.6940 17573.1988 0.0000 0.0000 34153.3366 -149114.2851 298.2696 -183267.6217 -149020.7920 299.7142 -146.8497 -113.4880 557935.2426 -9.3654 -9.4376 PRESSURE: 4581600 -79.4307 124.828 -187.351 124.829 -209.245 92.815 -187.351 92.8152 -123.398 GPRESSURE: 4581600 -27.2287 191.424 -201.538 68.829 -180.275 161.898 -174.428 116.226 -91.7281 PRESSAVG: 4581600 31.0997 38.514 24.1529 38.5141 20.085 -1.24509 24.1528 -1.24509 -47.4055 GPRESSAVG: 4581600 31.5695 39.0943 24.5875 38.2281 18.5733 -3.52584 21.8001 1.26426 -46.9365 TIMING: 4581600 CPU: 13760.4, 0.00298959/step Wall: 13760.4, 0.00298959/step, 0.347457 hours remaining, 210.593750 MB of memory in use. ENERGY: 4581600 774.3117 2040.5918 1936.7502 115.4628 -206036.0831 17751.5237 0.0000 0.0000 34171.0627 -149246.3801 298.4244 -183417.4428 -149148.4477 298.9085 -137.3577 -99.7440 557978.0168 1.2598 1.0687 PRESSURE: 4581800 -71.0085 20.1725 44.6437 20.1729 -297.874 133.268 44.6442 133.269 -69.4072 GPRESSURE: 4581800 -98.1709 -39.6404 45.5165 -3.77687 -201.78 139.101 -68.2064 133.881 -45.7837 PRESSAVG: 4581800 59.6621 28.92 -13.0185 28.92 -4.79931 5.48292 -13.0186 5.483 -23.2189 GPRESSAVG: 4581800 59.7618 28.1768 -11.1014 29.559 -4.10247 5.41564 -12.7084 4.7418 -23.9393 TIMING: 4581800 CPU: 13761, 0.00296702/step Wall: 13761, 0.00296702/step, 0.344669 hours remaining, 210.593750 MB of memory in use. ENERGY: 4581800 770.1120 2043.6843 1929.2134 112.3175 -206021.8205 17742.6461 0.0000 0.0000 34144.0545 -149279.7928 298.1885 -183423.8473 -149184.9662 298.5997 -146.0966 -115.2448 558214.5790 10.5480 10.5734 PRESSURE: 4582000 27.2327 148.107 48.7945 148.107 -120.432 71.0159 48.7956 71.0178 -144.396 GPRESSURE: 4582000 29.6482 102.248 117.853 177.599 -36.8825 54.4995 -26.36 171.414 -132.636 PRESSAVG: 4582000 -65.7751 60.2452 -44.3301 60.2452 1.60002 71.0573 -44.33 71.0574 5.50916 GPRESSAVG: 4582000 -66.093 61.1566 -45.1119 59.0118 1.75708 71.8631 -43.6509 72.7982 5.15085 TIMING: 4582000 CPU: 13761.6, 0.00296957/step Wall: 13761.6, 0.00296957/step, 0.344801 hours remaining, 210.593750 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: 4582000 716.7743 2049.3606 1924.6273 122.4798 -206161.4456 17712.6308 0.0000 0.0000 34273.2204 -149362.3525 299.3166 -183635.5728 -149257.1318 299.3371 -79.1985 -46.6234 559367.6069 -19.5553 -19.7284 PRESSURE: 4582200 -37.0667 -32.0376 -14.2147 -32.0379 100.287 112.163 -14.2154 112.162 -165.937 GPRESSURE: 4582200 -20.9619 15.3794 -65.7548 -165.299 96.8479 14.622 6.44685 145.116 -83.3824 PRESSAVG: 4582200 -8.9723 7.52049 5.38334 7.52043 11.0011 -1.8659 5.38335 -1.86581 5.12962 GPRESSAVG: 4582200 -9.14823 9.99033 4.62538 6.70273 10.7784 -3.9895 5.89974 -2.80486 6.21718 TIMING: 4582200 CPU: 13762.2, 0.00295568/step Wall: 13762.2, 0.00295568/step, 0.343024 hours remaining, 210.593750 MB of memory in use. ENERGY: 4582200 721.6409 2100.8904 1934.7518 116.8789 -206382.6359 17761.6546 0.0000 0.0000 34486.4971 -149260.3222 301.1792 -183746.8194 -149169.3164 299.1739 -34.2388 -2.4988 558927.9162 2.3861 2.6158 PRESSURE: 4582400 166.829 -91.9943 58.9721 -91.9939 30.7525 -5.12785 58.9719 -5.1272 293.359 GPRESSURE: 4582400 179.208 -151.206 168.008 -67.3388 32.0445 22.7189 -39.9056 25.1011 375.641 PRESSAVG: 4582400 -38.9132 -34.0796 -1.23967 -34.0796 17.5337 22.1326 -1.23978 22.1327 17.984 GPRESSAVG: 4582400 -40.1504 -36.6388 -2.61172 -33.115 16.5353 24.2215 -0.964701 20.5106 19.991 TIMING: 4582400 CPU: 13762.8, 0.00297142/step Wall: 13762.8, 0.00297142/step, 0.344684 hours remaining, 210.593750 MB of memory in use. ENERGY: 4582400 725.8232 2108.0559 1913.0477 111.5946 -206347.7408 18119.4287 0.0000 0.0000 34200.8372 -149168.9535 298.6844 -183369.7907 -149077.1981 299.1442 163.6468 195.6312 558178.4462 -1.1318 -1.2080 PRESSURE: 4582600 -252.878 84.2415 -111.57 84.2428 -249.867 -4.47632 -111.57 -4.47658 -101.438 GPRESSURE: 4582600 -185.94 104.933 -108.748 107.45 -244.982 -3.21408 -135.675 11.4722 -87.9303 PRESSAVG: 4582600 -4.14729 18.8397 -15.0453 18.8396 41.5672 -11.6759 -15.0452 -11.6759 -43.16 GPRESSAVG: 4582600 -4.14637 18.9853 -15.6775 18.7476 42.1865 -13.9374 -14.328 -11.2175 -44.2684 TIMING: 4582600 CPU: 13763.4, 0.00299408/step Wall: 13763.4, 0.00299408/step, 0.347147 hours remaining, 210.593750 MB of memory in use. ENERGY: 4582600 710.7387 2097.7365 1949.5891 106.8839 -205217.6002 17238.2006 0.0000 0.0000 34125.4879 -148988.9635 298.0264 -183114.4514 -148891.9688 299.2868 -201.3945 -172.9508 560391.2480 -1.9134 -2.0761 PRESSURE: 4582800 20.4816 100.229 29.8395 100.229 -146.302 -114.962 29.8389 -114.959 -81.5932 GPRESSURE: 4582800 50.0484 35.481 30.3057 46.0743 -130.267 -74.6408 48.8691 -94.9702 -41.4693 PRESSAVG: 4582800 0.568383 -2.01958 -3.3836 -2.01953 -24.7937 -51.3426 -3.38366 -51.3427 15.2924 GPRESSAVG: 4582800 0.906157 -0.794964 -0.786066 -0.707824 -25.0338 -49.3955 -6.02714 -51.5865 14.9983 TIMING: 4582800 CPU: 13764, 0.002968/step Wall: 13764, 0.002968/step, 0.343958 hours remaining, 210.593750 MB of memory in use. ENERGY: 4582800 753.8310 2092.8207 1935.7500 108.1551 -205950.4143 17734.9732 0.0000 0.0000 34340.8094 -148984.0749 299.9068 -183324.8844 -148886.4523 299.0672 -69.1379 -40.5626 559773.8463 -2.9777 -3.0431 PRESSURE: 4583000 -76.7658 57.1461 -18.3195 57.1461 123.04 71.514 -18.3198 71.5146 86.8186 GPRESSURE: 4583000 -29.8157 43.0649 62.1388 87.8719 186.424 102.993 -63.3559 100.562 85.145 PRESSAVG: 4583000 39.9028 48.7886 18.7488 48.7885 -11.0268 -6.84755 18.7488 -6.84758 18.4935 GPRESSAVG: 4583000 41.0089 47.8455 19.4213 49.8243 -11.4623 -6.13442 18.3511 -5.99386 18.2246 TIMING: 4583000 CPU: 13764.5, 0.00295079/step Wall: 13764.5, 0.00295079/step, 0.3418 hours remaining, 210.593750 MB of memory in use. ENERGY: 4583000 755.2661 2078.7363 1922.4644 110.6484 -205829.5192 17783.7048 0.0000 0.0000 34405.3845 -148773.3146 300.4708 -183178.6991 -148677.4835 300.8477 44.3643 80.5846 559089.7193 15.7898 15.9237 PRESSURE: 4583200 166.288 -22.7987 -41.3333 -22.7981 31.968 60.0568 -41.3329 60.0566 51.5888 GPRESSURE: 4583200 127.437 -114.294 -109.785 -56.9795 133.355 6.63703 -52.6853 58.2189 84.2513 PRESSAVG: 4583200 11.6782 19.2676 -11.1127 19.2675 -4.50866 -65.5937 -11.1126 -65.5937 5.33162 GPRESSAVG: 4583200 10.7514 20.7926 -14.0143 19.3251 -4.94374 -65.9787 -9.13069 -64.8399 6.47438 TIMING: 4583200 CPU: 13765.1, 0.00295947/step Wall: 13765.1, 0.00295947/step, 0.342641 hours remaining, 210.593750 MB of memory in use. ENERGY: 4583200 754.4076 2087.6473 1933.4992 119.6393 -206320.3765 18010.2405 0.0000 0.0000 34597.7531 -148817.1895 302.1508 -183414.9426 -148715.4355 300.3356 83.2817 115.0144 558667.5014 4.1671 4.0940 PRESSURE: 4583400 -41.4394 -100.651 92.509 -100.651 277.658 37.1471 92.5075 37.1476 -23.3652 GPRESSURE: 4583400 6.69002 -89.504 97.9012 -85.332 318.585 96.5877 -8.39919 40.4025 6.0127 PRESSAVG: 4583400 14.4887 -39.8115 -27.01 -39.8114 24.2339 49.2374 -27.01 49.2374 -69.4932 GPRESSAVG: 4583400 15.2318 -40.2348 -26.1274 -41.3484 24.7378 46.7502 -27.5704 50.688 -70.9791 TIMING: 4583400 CPU: 13765.7, 0.00297517/step Wall: 13765.7, 0.00297517/step, 0.344293 hours remaining, 210.593750 MB of memory in use. ENERGY: 4583400 712.0943 2121.6406 1935.6427 113.2560 -205892.3942 17946.8653 0.0000 0.0000 34567.6466 -148495.2485 301.8879 -183062.8952 -148400.8433 300.3739 70.9510 110.4293 558337.0837 -10.2569 -10.3365 PRESSURE: 4583600 -146.138 -111.545 134.424 -111.545 202.995 90.7543 134.425 90.7545 -183.846 GPRESSURE: 4583600 -178.29 -128.174 105.502 -94.4949 234.989 38.6069 141.885 57.213 -83.9384 PRESSAVG: 4583600 9.91162 -2.33802 18.3058 -2.33805 82.7617 23.574 18.3059 23.574 -73.9501 GPRESSAVG: 4583600 9.03806 -5.29125 19.4451 -1.63905 83.6579 24.6477 16.9092 21.9706 -73.8 TIMING: 4583600 CPU: 13766.3, 0.00297736/step Wall: 13766.3, 0.00297736/step, 0.344382 hours remaining, 210.593750 MB of memory in use. ENERGY: 4583600 753.1665 2026.4099 1950.1687 111.6760 -205358.2857 17634.2580 0.0000 0.0000 34264.1982 -148618.4084 299.2378 -182882.6066 -148525.7204 301.3073 -42.3297 -9.0797 560011.5263 6.2411 6.2986 PRESSURE: 4583800 200.879 133.55 71.6081 133.549 -24.4769 -156.516 71.6088 -156.516 -117.509 GPRESSURE: 4583800 236.523 28.6429 17.4529 216.336 -44.7843 -122.041 142.012 -197.859 -33.6978 PRESSAVG: 4583800 34.1032 -16.1611 -8.88401 -16.1611 56.1561 1.96639 -8.88392 1.9663 -53.5932 GPRESSAVG: 4583800 34.1284 -15.6915 -7.90455 -17.8672 55.8025 -1.57493 -7.99935 4.46228 -53.648 TIMING: 4583800 CPU: 13766.9, 0.00296555/step Wall: 13766.9, 0.00296555/step, 0.34285 hours remaining, 210.593750 MB of memory in use. ENERGY: 4583800 733.7253 2096.2311 1940.2239 98.9452 -205748.7946 17616.3647 0.0000 0.0000 34442.8152 -148820.4892 300.7977 -183263.3044 -148723.7652 301.1508 19.6313 52.6802 558296.0295 12.2220 12.0943 PRESSURE: 4584000 160.274 67.6053 114.682 67.6045 -19.4728 244.344 114.683 244.343 -155.694 GPRESSURE: 4584000 216.239 -8.55641 144.742 46.877 12.5866 209.615 63.6749 263.584 -148.684 PRESSAVG: 4584000 46.2362 -16.0968 -51.99 -16.0968 14.6207 10.0905 -51.9901 10.0904 -37.7685 GPRESSAVG: 4584000 47.1833 -15.0192 -57.0827 -14.4846 15.5647 14.166 -49.7441 7.54178 -39.2947 TIMING: 4584000 CPU: 13767.5, 0.00297436/step Wall: 13767.5, 0.00297436/step, 0.343704 hours remaining, 210.593750 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: 4584000 726.2524 2087.6236 1939.3245 128.6307 -206044.2338 17877.3781 0.0000 0.0000 34313.3220 -148971.7025 299.6668 -183285.0245 -148880.9682 300.1493 -4.9643 26.7139 558148.5508 7.6961 7.8178 PRESSURE: 4584200 241.449 -146.802 -162.853 -146.803 342.581 -21.3574 -162.852 -21.358 -267.8 GPRESSURE: 4584200 273.47 -108.615 -183.165 -209.4 358.939 -15.3592 -114.867 -12.1429 -218.098 PRESSAVG: 4584200 76.831 -25.3432 -38.5106 -25.3433 -3.93972 1.47648 -38.5106 1.4766 -92.4766 GPRESSAVG: 4584200 75.2956 -25.0063 -37.8132 -25.7554 -3.79896 3.17838 -37.9007 0.992398 -91.4482 TIMING: 4584200 CPU: 13768.1, 0.00296206/step Wall: 13768.1, 0.00296206/step, 0.342117 hours remaining, 210.593750 MB of memory in use. ENERGY: 4584200 732.8173 2072.3479 1949.1183 115.5088 -206352.3443 18108.9584 0.0000 0.0000 34512.0698 -148861.5238 301.4025 -183373.5936 -148768.9704 299.7258 105.4099 138.1037 556584.7718 -6.5284 -6.6505 LDB: ============= START OF LOAD BALANCING ============== 13771.6 LDB: ============== END OF LOAD BALANCING =============== 13771.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13771.6 LDB: ============= START OF LOAD BALANCING ============== 13771.9 LDB: Largest compute 4796 load 0.027361 is 23.2% of average load 0.118107 LDB: Average compute 0.001739 is 1.5% of average load 0.118107 LDB: TIME 13771.9 LOAD: AVG 0.118107 MAX 0.209565 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.305 MB LDB: TIME 13771.9 LOAD: AVG 0.118107 MAX 0.209565 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.508 MB LDB: TIME 13771.9 LOAD: AVG 0.118107 MAX 0.209565 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.508 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13771.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13771.9 PRESSURE: 4584400 -59.1341 52.3922 -65.5324 52.3928 11.8572 122.159 -65.5319 122.159 -236.376 GPRESSURE: 4584400 -45.1015 -43.4184 -47.709 69.5304 68.9404 134.598 -143.624 152.952 -190.508 PRESSAVG: 4584400 108.28 -22.0491 -63.9126 -22.0491 -43.6293 -40.1713 -63.9125 -40.1713 -47.5809 GPRESSAVG: 4584400 109.288 -20.4705 -61.661 -22.8436 -43.9842 -40.4425 -68.057 -39.065 -47.4742 TIMING: 4584400 CPU: 13768.7, 0.00300917/step Wall: 13768.7, 0.00300917/step, 0.347392 hours remaining, 210.003906 MB of memory in use. ENERGY: 4584400 745.2881 2067.1325 1958.7249 121.0173 -206082.1416 17801.3013 0.0000 0.0000 34407.2614 -148981.4162 300.4872 -183388.6776 -148886.5539 300.7225 -94.5509 -55.5563 558823.3013 5.6900 5.9431 PRESSURE: 4584600 -129.907 67.9301 -99.4898 67.929 -34.5975 -11.6608 -99.4901 -11.6616 -121.078 GPRESSURE: 4584600 -109.984 90.6768 -92.6044 18.3618 -23.1119 -51.8126 -197.626 -69.3731 -58.1518 PRESSAVG: 4584600 29.8423 -76.2983 -50.6879 -76.2983 -48.0766 -32.7048 -50.688 -32.7048 -38.8749 GPRESSAVG: 4584600 29.9631 -77.9073 -52.1963 -75.3937 -47.9231 -35.1247 -50.0905 -32.8261 -38.9149 TIMING: 4584600 CPU: 13769.3, 0.00296515/step Wall: 13769.3, 0.00296515/step, 0.342145 hours remaining, 210.003906 MB of memory in use. ENERGY: 4584600 746.7399 2097.8981 1955.1139 119.0853 -206026.7172 17748.1795 0.0000 0.0000 34432.0964 -148927.6040 300.7041 -183359.7004 -148825.5874 300.1948 -95.1941 -63.7493 559020.0379 -19.0364 -18.9583 PRESSURE: 4584800 35.7618 117.366 -89.0097 117.366 26.8933 -68.7696 -89.0102 -68.7692 -20.8568 GPRESSURE: 4584800 68.0055 47.3674 -118.916 199.086 75.1984 -61.9362 -3.80531 -87.4359 -3.44736 PRESSAVG: 4584800 -19.4844 52.8461 -8.61163 52.8463 0.0856708 -12.3181 -8.61161 -12.3181 -4.79432 GPRESSAVG: 4584800 -20.3507 53.1727 -8.33837 53.4321 0.02784 -11.8659 -6.46885 -12.7834 -3.91225 TIMING: 4584800 CPU: 13769.9, 0.00295382/step Wall: 13769.9, 0.00295382/step, 0.340674 hours remaining, 210.003906 MB of memory in use. ENERGY: 4584800 723.8119 2059.9658 1960.5537 121.0546 -206224.5863 17842.6128 0.0000 0.0000 34598.8679 -148917.7197 302.1605 -183516.5876 -148819.4724 300.9520 13.9328 46.5855 557433.8615 -8.0644 -8.0784 PRESSURE: 4585000 58.799 10.1338 -51.8807 10.1343 94.9268 -103.924 -51.8791 -103.922 -52.0376 GPRESSURE: 4585000 125.268 -47.8714 -65.1534 47.6744 85.0707 -133.053 -64.3664 -111.335 -4.68405 PRESSAVG: 4585000 18.557 36.4967 23.1758 36.4967 58.1821 -1.38607 23.1758 -1.38606 -56.3691 GPRESSAVG: 4585000 17.952 36.549 24.3136 36.7356 59.3309 0.708093 21.2291 -2.55745 -57.0939 TIMING: 4585000 CPU: 13770.5, 0.00296329/step Wall: 13770.5, 0.00296329/step, 0.341602 hours remaining, 210.003906 MB of memory in use. ENERGY: 4585000 739.5248 2102.9865 1942.7502 104.9033 -205955.4260 17877.8435 0.0000 0.0000 34385.2098 -148802.2080 300.2946 -183187.4178 -148701.8949 300.5012 33.8960 68.5514 557211.1165 6.7900 6.7297 PRESSURE: 4585200 14.1627 33.987 4.79786 33.9878 186.52 -55.8907 4.79958 -55.8905 61.4091 GPRESSURE: 4585200 51.7437 72.2986 30.4214 64.102 242.368 -62.3678 49.6435 -81.1575 77.2933 PRESSAVG: 4585200 34.6179 11.8366 -9.92852 11.8366 -13.1877 13.2772 -9.92853 13.2772 -52.7868 GPRESSAVG: 4585200 35.835 10.9189 -13.598 9.99458 -13.5302 12.8211 -7.17545 15.2921 -53.2621 TIMING: 4585200 CPU: 13771.1, 0.0029661/step Wall: 13771.1, 0.0029661/step, 0.34176 hours remaining, 210.003906 MB of memory in use. ENERGY: 4585200 723.6939 2061.1040 1951.6205 103.3682 -205959.7211 17936.4704 0.0000 0.0000 34313.8628 -148869.6014 299.6715 -183183.4642 -148767.8103 300.6218 87.3640 123.8016 557458.7093 -10.4522 -10.3191 PRESSURE: 4585400 265.348 -10.991 38.1661 -10.9891 -94.4939 69.647 38.165 69.647 203.137 GPRESSURE: 4585400 236.839 28.268 94.7552 -4.90947 -76.2904 93.5071 -1.24155 108.942 314.518 PRESSAVG: 4585400 29.4445 27.8848 61.6782 27.8849 8.56361 11.753 61.6782 11.7531 -22.463 GPRESSAVG: 4585400 29.0965 28.5059 64.9965 28.4974 9.40607 13.1502 59.613 10.1921 -22.338 TIMING: 4585400 CPU: 13771.7, 0.00296043/step Wall: 13771.7, 0.00296043/step, 0.340942 hours remaining, 210.003906 MB of memory in use. ENERGY: 4585400 729.3170 2162.0595 1930.3640 105.4368 -206325.5070 17934.1620 0.0000 0.0000 34350.5704 -149113.5973 299.9921 -183464.1677 -149024.9210 299.7367 124.6638 158.3557 557823.6980 5.1817 5.3882 PRESSURE: 4585600 280.066 169.453 -46.0606 169.452 180.064 25.939 -46.0598 25.9387 173.381 GPRESSURE: 4585600 290.894 212.505 -102.149 164.584 218.724 -10.3674 -41.0729 -65.1702 213.895 PRESSAVG: 4585600 38.9557 48.3949 57.0805 48.395 13.3416 62.9979 57.0803 62.9979 -32.7723 GPRESSAVG: 4585600 40.295 49.631 56.7662 48.1206 11.6056 62.1109 57.7732 61.0638 -32.529 TIMING: 4585600 CPU: 13772.3, 0.00296803/step Wall: 13772.3, 0.00296803/step, 0.341653 hours remaining, 210.003906 MB of memory in use. ENERGY: 4585600 754.2116 2064.4106 1918.0827 101.3391 -206091.4149 17805.4179 0.0000 0.0000 34237.8697 -149210.0833 299.0078 -183447.9530 -149108.7078 299.4358 211.1705 241.1710 556528.0623 6.5083 6.4572 PRESSURE: 4585800 -10.3962 -5.3865 125.773 -5.38501 11.2174 21.5993 125.771 21.5982 -300.909 GPRESSURE: 4585800 -14.591 -56.4337 133.567 2.38152 64.8931 99.372 93.6266 56.2857 -262.596 PRESSAVG: 4585800 10.7315 -23.6577 7.13268 -23.6577 26.4756 31.7447 7.13271 31.7448 -87.1493 GPRESSAVG: 4585800 10.5668 -25.1634 7.53046 -24.0853 27.5772 31.3947 5.77106 35.5125 -88.1974 TIMING: 4585800 CPU: 13772.9, 0.00297006/step Wall: 13772.9, 0.00297006/step, 0.341722 hours remaining, 210.003906 MB of memory in use. ENERGY: 4585800 705.3036 2139.9704 1936.2217 105.7116 -206196.8572 17603.3738 0.0000 0.0000 34364.6679 -149341.6081 300.1152 -183706.2761 -149245.0532 298.6423 -100.0291 -70.7646 557019.0369 -16.6474 -16.6844 PRESSURE: 4586000 156.458 181.713 102.627 181.714 75.0903 77.1515 102.627 77.1502 -128.23 GPRESSURE: 4586000 190.607 208.324 75.0646 149.519 55.5362 107.91 151.971 146.049 -46.7043 PRESSAVG: 4586000 28.6063 -3.7906 -19.5347 -3.79067 -2.59941 42.7768 -19.5347 42.7768 -33.8369 GPRESSAVG: 4586000 27.4187 -4.03113 -19.8882 -3.02475 -2.95593 42.1269 -19.2092 40.7756 -32.6405 TIMING: 4586000 CPU: 13773.5, 0.00298074/step Wall: 13773.5, 0.00298074/step, 0.342786 hours remaining, 210.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4586000 726.1921 2031.6645 1936.2656 101.2897 -206086.7603 17787.5337 0.0000 0.0000 34266.2685 -149237.5460 299.2558 -183503.8145 -149140.6777 299.2726 34.4392 66.4795 556427.2171 -2.6100 -2.7259 PRESSURE: 4586200 -107.812 -20.9137 -101.873 -20.9139 -183.836 117.936 -101.872 117.936 -103.646 GPRESSURE: 4586200 -120.484 0.0328483 -133.608 18.847 -152.549 166.852 -56.3879 82.7344 -33.3917 PRESSAVG: 4586200 -62.3942 -55.8447 -57.2491 -55.8448 44.8087 -13.9115 -57.2492 -13.9114 30.9853 GPRESSAVG: 4586200 -61.4493 -54.8039 -55.3898 -58.36 44.9728 -13.1987 -57.4013 -13.1264 29.8645 TIMING: 4586200 CPU: 13774.1, 0.0029866/step Wall: 13774.1, 0.0029866/step, 0.343293 hours remaining, 210.003906 MB of memory in use. ENERGY: 4586200 738.0563 2109.8429 1941.2361 109.2595 -205939.9286 17568.9680 0.0000 0.0000 34163.1062 -149309.4596 298.3549 -183472.5658 -149208.6768 299.3110 -131.7649 -102.1415 557712.3736 4.4666 4.4627 PRESSURE: 4586400 -341.131 144.329 -152.25 144.33 -48.0273 133.47 -152.25 133.468 10.8498 GPRESSURE: 4586400 -287.425 119.697 -87.595 98.6687 -44.3225 42.5497 -148.833 167.831 61.9897 PRESSAVG: 4586400 -11.2337 15.6453 9.38812 15.6453 3.72897 -13.7595 9.38801 -13.7595 11.3082 GPRESSAVG: 4586400 -12.7918 14.6554 9.08962 17.1252 4.34415 -15.9761 9.18093 -12.5852 12.4603 TIMING: 4586400 CPU: 13774.6, 0.00294377/step Wall: 13774.6, 0.00294377/step, 0.338206 hours remaining, 210.003906 MB of memory in use. ENERGY: 4586400 777.9428 2078.0377 1922.5927 116.2933 -206198.1972 17546.1437 0.0000 0.0000 34305.8830 -149451.3039 299.6018 -183757.1869 -149349.7802 299.0119 -126.1027 -89.9192 556707.0110 1.2678 1.3375 PRESSURE: 4586600 181.973 -66.2366 -138.243 -66.2371 -398.928 -141.627 -138.243 -141.628 -86.5426 GPRESSURE: 4586600 183.423 -37.5338 -92.3803 -93.9643 -373.211 -101.566 -126.989 -162.495 -18.0652 PRESSAVG: 4586600 9.1062 -0.792676 15.6938 -0.792718 6.73907 52.3547 15.6938 52.3547 23.8977 GPRESSAVG: 4586600 10.0867 0.793576 15.7922 -1.15916 6.41394 53.8169 13.8428 50.0514 23.2229 TIMING: 4586600 CPU: 13775.2, 0.00297008/step Wall: 13775.2, 0.00297008/step, 0.341064 hours remaining, 210.003906 MB of memory in use. ENERGY: 4586600 717.2732 2068.7497 1934.8309 115.1193 -205826.1930 17519.2878 0.0000 0.0000 34137.6787 -149333.2535 298.1328 -183470.9322 -149230.9356 298.9927 -101.1658 -69.2845 557528.9456 13.2476 13.2412 PRESSURE: 4586800 216.103 15.6796 51.7835 15.6791 241.578 7.82843 51.7842 7.83038 77.0821 GPRESSURE: 4586800 229.966 -41.1003 35.965 -25.1621 287.867 -3.2574 97.3451 -28.1111 104.936 PRESSAVG: 4586800 -2.83841 -6.33317 41.0241 -6.3333 -24.2112 -23.7697 41.0242 -23.7697 38.1005 GPRESSAVG: 4586800 -3.35662 -7.13233 40.9055 -3.55431 -24.387 -23.4105 40.7101 -23.1013 38.7297 TIMING: 4586800 CPU: 13775.8, 0.00295795/step Wall: 13775.8, 0.00295795/step, 0.339507 hours remaining, 210.003906 MB of memory in use. ENERGY: 4586800 740.4394 2090.5166 1939.6189 98.5892 -206576.9638 18058.2966 0.0000 0.0000 34286.6412 -149362.8619 299.4338 -183649.5031 -149279.5024 299.2903 178.2543 207.5898 557405.0147 3.6836 3.6620 PRESSURE: 4587000 -64.6574 0.313742 -42.1226 0.314747 2.68063 -198.118 -42.1218 -198.117 -6.77002 GPRESSURE: 4587000 -18.6267 40.9338 47.1671 -38.9078 11.1063 -275.649 -141.423 -189.753 27.0147 PRESSAVG: 4587000 15.0062 -5.50816 29.0831 -5.50805 -20.4755 0.827738 29.0831 0.827685 11.3434 GPRESSAVG: 4587000 14.3431 -3.96501 27.3042 -8.31706 -19.0175 0.348741 31.9563 1.76593 10.7522 TIMING: 4587000 CPU: 13776.4, 0.00297899/step Wall: 13776.4, 0.00297899/step, 0.341757 hours remaining, 210.003906 MB of memory in use. ENERGY: 4587000 706.3497 2099.6159 1934.7105 110.9422 -205777.8332 17623.2923 0.0000 0.0000 33901.5810 -149401.3416 296.0709 -183302.9226 -149297.1167 298.1723 -22.9156 6.4981 558284.5210 1.9580 2.0259 PRESSURE: 4587200 -99.7874 -3.46936 109.323 -3.46877 -197.522 9.97308 109.322 9.97222 -10.5496 GPRESSURE: 4587200 -62.7536 -1.42227 71.5865 -78.8226 -153.25 32.3765 97.0116 -12.8525 2.34515 PRESSAVG: 4587200 29.6416 -8.34406 66.6697 -8.34403 -43.9796 -54.7909 66.6697 -54.791 43.4285 GPRESSAVG: 4587200 30.384 -7.60142 67.8428 -9.26769 -45.7672 -54.022 65.4752 -56.0663 44.5901 TIMING: 4587200 CPU: 13777, 0.00294805/step Wall: 13777, 0.00294805/step, 0.338044 hours remaining, 210.003906 MB of memory in use. ENERGY: 4587200 746.1404 2086.1423 1935.7421 96.8864 -206270.0472 17761.2939 0.0000 0.0000 34261.3389 -149382.5031 299.2128 -183643.8420 -149283.7249 299.0140 -102.6195 -71.2195 557756.5909 9.6969 9.7357 PRESSURE: 4587400 121.884 -29.0081 -32.556 -29.0083 -44.3255 131.049 -32.5543 131.049 4.04466 GPRESSURE: 4587400 137.729 -56.3529 79.2039 7.93162 0.809125 117.345 -78.895 143.269 24.2288 PRESSAVG: 4587400 -17.5157 -31.128 12.6126 -31.1281 -17.8009 39.7878 12.6125 39.7877 31.1445 GPRESSAVG: 4587400 -17.8891 -32.213 12.2021 -31.8223 -16.7021 38.9949 12.8306 39.9912 30.2385 TIMING: 4587400 CPU: 13777.6, 0.00296629/step Wall: 13777.6, 0.00296629/step, 0.339969 hours remaining, 210.003906 MB of memory in use. ENERGY: 4587400 732.1705 2027.3121 1935.2724 109.2718 -206348.2672 17855.7864 0.0000 0.0000 34428.6601 -149259.7939 300.6741 -183688.4540 -149168.2814 298.7524 27.2012 54.2555 558225.9936 -1.3907 -1.4509 PRESSURE: 4587600 146.066 159.659 122.254 159.66 -40.3052 171.453 122.253 171.453 -23.0907 GPRESSURE: 4587600 166.974 189.281 118.794 122.779 16.613 138.025 36.3558 197.755 -16.7416 PRESSAVG: 4587600 -21.4192 -28.8531 -8.32982 -28.853 32.3588 100.787 -8.32975 100.787 5.1622 GPRESSAVG: 4587600 -21.6171 -31.501 -6.15525 -23.9172 32.2378 101.291 -9.74605 101.372 5.90341 TIMING: 4587600 CPU: 13778.2, 0.002937/step Wall: 13778.2, 0.002937/step, 0.33645 hours remaining, 210.003906 MB of memory in use. ENERGY: 4587600 726.6615 2084.8790 1922.9788 108.4834 -206215.9415 17837.0968 0.0000 0.0000 34303.8415 -149232.0004 299.5840 -183535.8419 -149141.0308 299.0844 27.5566 55.6152 557885.8971 5.3673 5.5080 PRESSURE: 4587800 -15.3189 -105.754 -59.3763 -105.754 -57.1347 21.8711 -59.376 21.8706 -236.188 GPRESSURE: 4587800 60.0695 -78.0781 -90.0472 -150.353 -49.6368 14.7821 -88.2274 -19.5643 -222.474 PRESSAVG: 4587800 7.3443 11.4857 -5.92528 11.4856 -53.4926 37.3361 -5.92531 37.3361 37.9356 GPRESSAVG: 4587800 8.1105 11.6497 -8.50035 9.84387 -52.9361 35.7724 -5.12054 37.4597 36.5463 TIMING: 4587800 CPU: 13778.8, 0.00294093/step Wall: 13778.8, 0.00294093/step, 0.336737 hours remaining, 210.003906 MB of memory in use. ENERGY: 4587800 760.3064 2043.2525 1933.7720 117.3210 -205865.4666 17534.8886 0.0000 0.0000 34139.9801 -149335.9460 298.1529 -183475.9261 -149229.3225 298.5715 -102.8805 -70.6805 556442.6863 -2.7376 -2.7598 PRESSURE: 4588000 -66.3468 -67.8972 -38.2974 -67.8958 -44.4524 59.3513 -38.2966 59.3509 -120.798 GPRESSURE: 4588000 -97.075 -98.9528 1.0661 -68.364 -15.0769 77.3399 -35.8792 135.144 -37.5998 PRESSAVG: 4588000 -9.72203 -8.79006 -39.1172 -8.79002 26.1039 50.5141 -39.1171 50.514 -33.2136 GPRESSAVG: 4588000 -10.3113 -7.77032 -38.4794 -9.38326 26.3633 51.011 -39.0316 50.822 -32.7156 TIMING: 4588000 CPU: 13779.4, 0.00299196/step Wall: 13779.4, 0.00299196/step, 0.342413 hours remaining, 210.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4588000 737.0812 2021.3683 1940.0434 105.1820 -205820.1628 17642.4805 0.0000 0.0000 34136.5237 -149237.4837 298.1228 -183374.0075 -149138.4817 298.9192 -77.1990 -49.9173 556021.4187 -5.6106 -5.5545 PRESSURE: 4588200 78.8511 103.613 52.0431 103.613 -358.501 132.592 52.0423 132.593 -31.3943 GPRESSURE: 4588200 86.5611 176.56 52.619 37.8459 -278.669 97.5041 -24.7047 119.759 -24.8902 PRESSAVG: 4588200 -10.019 14.2371 -52.1129 14.237 -42.8881 51.4635 -52.1129 51.4636 32.8667 GPRESSAVG: 4588200 -10.7554 11.7414 -51.4452 14.9858 -43.054 51.6842 -53.158 50.123 33.7533 TIMING: 4588200 CPU: 13780, 0.00302454/step Wall: 13780, 0.00302454/step, 0.345974 hours remaining, 210.003906 MB of memory in use. ENERGY: 4588200 766.9221 2094.9128 1945.3669 122.2348 -206046.1658 17759.5671 0.0000 0.0000 34126.9922 -149230.1699 298.0395 -183357.1621 -149134.6721 299.0761 -103.6814 -72.3329 558607.5245 -6.6802 -6.6854 LDB: ============= START OF LOAD BALANCING ============== 13783.5 LDB: ============== END OF LOAD BALANCING =============== 13783.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13783.5 LDB: ============= START OF LOAD BALANCING ============== 13783.8 LDB: Largest compute 4796 load 0.028048 is 23.7% of average load 0.118196 LDB: Average compute 0.001735 is 1.5% of average load 0.118196 LDB: TIME 13783.8 LOAD: AVG 0.118196 MAX 0.212729 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.59 MB LDB: TIME 13783.8 LOAD: AVG 0.118196 MAX 0.212729 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.59 MB LDB: TIME 13783.8 LOAD: AVG 0.118196 MAX 0.212729 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.59 MB LDB: ============== END OF LOAD BALANCING =============== 13783.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13783.8 PRESSURE: 4588400 -92.5785 119.195 127.134 119.193 -48.7758 10.6187 127.134 10.6192 -58.6437 GPRESSURE: 4588400 -122.583 60.4857 100.345 97.2405 2.07466 26.0899 149.924 29.8152 20.9924 PRESSAVG: 4588400 -115.228 -25.8014 1.62054 -25.8014 51.9756 20.727 1.62064 20.7269 58.8062 GPRESSAVG: 4588400 -113.863 -23.5229 0.735561 -27.1022 51.8505 20.2789 2.88189 19.0376 57.6626 TIMING: 4588400 CPU: 13780.6, 0.00309759/step Wall: 13780.6, 0.00309759/step, 0.354158 hours remaining, 210.351562 MB of memory in use. ENERGY: 4588400 726.5897 2051.6222 1930.3513 112.2532 -206179.6603 17788.1092 0.0000 0.0000 34285.1858 -149285.5488 299.4211 -183570.7346 -149185.9048 299.0802 -66.6660 -33.1718 558795.3314 -1.4822 -1.4499 PRESSURE: 4588600 -23.0443 -181.825 -53.5387 -181.826 25.0358 -29.136 -53.5383 -29.1368 58.0477 GPRESSURE: 4588600 29.2189 -144.897 -70.3738 -213.692 94.1898 -44.2721 -69.6852 -61.2341 39.9401 PRESSAVG: 4588600 -13.0189 -25.0683 14.8634 -25.0683 13.899 -13.7041 14.8633 -13.7041 7.25014 GPRESSAVG: 4588600 -12.5768 -23.6845 16.5522 -25.2253 13.8204 -13.6476 14.4812 -12.4944 6.94414 TIMING: 4588600 CPU: 13781.2, 0.00302075/step Wall: 13781.2, 0.00302075/step, 0.345205 hours remaining, 210.554688 MB of memory in use. ENERGY: 4588600 737.6586 2105.4463 1929.1269 110.1763 -206045.2780 17828.2064 0.0000 0.0000 34164.4681 -149170.1954 298.3668 -183334.6635 -149073.6055 299.6960 20.0131 54.4496 557891.0816 2.7101 2.7292 PRESSURE: 4588800 47.3152 -63.46 73.863 -63.4605 134.439 -129.86 73.8632 -129.858 -34.4275 GPRESSURE: 4588800 49.0223 44.1639 15.5475 -94.5543 189.683 -82.1582 130.415 -187.024 18.3928 PRESSAVG: 4588800 10.1417 -4.02135 41.688 -4.02137 4.62907 -0.509297 41.6878 -0.509308 24.5337 GPRESSAVG: 4588800 6.92051 -6.82504 40.8596 -4.35548 5.95532 -0.576423 41.7203 -1.0115 25.9065 TIMING: 4588800 CPU: 13781.8, 0.00303382/step Wall: 13781.8, 0.00303382/step, 0.346529 hours remaining, 210.554688 MB of memory in use. ENERGY: 4588800 743.5970 2041.5349 1945.0203 107.5093 -206118.1702 17800.8702 0.0000 0.0000 34153.7461 -149325.8925 298.2732 -183479.6386 -149225.3310 298.6565 49.1090 85.6994 557126.6847 13.1015 12.9275 PRESSURE: 4589000 -9.35055 -35.7158 -150.832 -35.7159 -196.577 6.48901 -150.832 6.4886 -38.0184 GPRESSURE: 4589000 -14.339 -112.165 -169.048 -27.2275 -135.212 23.7726 -144.143 -3.57251 -7.44105 PRESSAVG: 4589000 -21.6688 -3.98564 -43.788 -3.98568 43.7665 -5.80073 -43.7879 -5.80069 -8.08374 GPRESSAVG: 4589000 -20.4245 -3.48243 -44.4141 -2.50765 42.1297 -5.51451 -41.5693 -4.64626 -7.78132 TIMING: 4589000 CPU: 13782.4, 0.00300784/step Wall: 13782.4, 0.00300784/step, 0.343395 hours remaining, 210.554688 MB of memory in use. ENERGY: 4589000 780.7117 2101.9430 1936.9102 101.4461 -205921.8000 17816.9671 0.0000 0.0000 33833.5699 -149350.2520 295.4770 -183183.8219 -149251.0523 299.2552 -81.3153 -52.3307 559265.0096 4.6713 4.6413 PRESSURE: 4589200 49.7005 32.1527 -67.302 32.1506 -92.164 30.425 -67.3001 30.4269 44.872 GPRESSURE: 4589200 67.6943 77.1565 -30.4381 -32.9888 -37.8319 86.7517 -33.2307 107.227 78.0153 PRESSAVG: 4589200 14.531 -19.2851 -32.2256 -19.285 6.16718 -7.84153 -32.2257 -7.84163 7.15678 GPRESSAVG: 4589200 15.5565 -18.0801 -31.0737 -19.8962 6.33786 -7.11799 -34.898 -8.82096 5.82314 TIMING: 4589200 CPU: 13783, 0.00298623/step Wall: 13783, 0.00298623/step, 0.340762 hours remaining, 210.554688 MB of memory in use. ENERGY: 4589200 764.5569 2068.7599 1945.7622 114.2023 -206102.7777 17729.8235 0.0000 0.0000 34063.2509 -149416.4221 297.4828 -183479.6731 -149319.9660 298.6167 0.8028 35.9592 557356.8451 9.2850 9.2392 PRESSURE: 4589400 77.1897 203.896 29.2042 203.895 18.6163 -101.187 29.2036 -101.186 275.488 GPRESSURE: 4589400 82.133 181.909 -58.0383 186.723 43.2953 -32.7065 55.8187 -138.987 335.029 PRESSAVG: 4589400 -21.4634 -24.2643 -26.8157 -24.2643 -64.1615 13.4852 -26.8156 13.4851 56.9789 GPRESSAVG: 4589400 -22.5962 -22.4688 -26.192 -25.0287 -63.4806 13.067 -27.388 13.5606 57.2479 TIMING: 4589400 CPU: 13783.6, 0.00299445/step Wall: 13783.6, 0.00299445/step, 0.341534 hours remaining, 210.554688 MB of memory in use. ENERGY: 4589400 725.0041 2043.2261 1941.8625 109.4729 -206576.2828 18006.9012 0.0000 0.0000 34223.7659 -149526.0501 298.8847 -183749.8160 -149432.4298 297.7449 123.7647 153.4858 556084.6903 -9.5486 -9.6096 PRESSURE: 4589600 -57.3409 -14.028 -146.786 -14.0287 -293.089 -118.685 -146.786 -118.684 -195.212 GPRESSURE: 4589600 -17.9046 1.9071 -250.338 43.8361 -252.852 -176.956 -105.947 -189.757 -179.919 PRESSAVG: 4589600 4.84166 -5.06806 24.7511 -5.06812 45.9216 43.8675 24.7511 43.8675 -14.3844 GPRESSAVG: 4589600 5.71098 -7.21026 25.3996 -3.88665 45.7642 43.2727 25.8093 44.1216 -14.9093 TIMING: 4589600 CPU: 13784.2, 0.00297758/step Wall: 13784.2, 0.00297758/step, 0.339444 hours remaining, 210.554688 MB of memory in use. ENERGY: 4589600 781.8389 2049.6942 1914.9440 113.0618 -206427.3161 17771.0144 0.0000 0.0000 34271.2460 -149525.5169 299.2993 -183796.7629 -149427.3415 298.0630 -181.8807 -150.2253 559195.6430 12.1263 12.1886 PRESSURE: 4589800 175.671 24.916 -16.8986 24.9163 224.423 35.8828 -16.8982 35.8816 -108.712 GPRESSURE: 4589800 198.529 -24.7564 -12.5152 1.56529 230.871 7.06951 3.01369 -19.6831 -51.7679 PRESSAVG: 4589800 22.3195 -13.8945 32.7643 -13.8946 19.9225 -26.9735 32.7643 -26.9736 -47.255 GPRESSAVG: 4589800 22.3504 -12.591 32.6998 -14.0387 19.2317 -27.6179 31.3853 -26.6384 -47.1317 TIMING: 4589800 CPU: 13784.8, 0.00296516/step Wall: 13784.8, 0.00296516/step, 0.337864 hours remaining, 210.554688 MB of memory in use. ENERGY: 4589800 737.2513 2098.4337 1963.5809 111.2016 -206307.2566 17892.2920 0.0000 0.0000 34097.0558 -149407.4413 297.7781 -183504.4971 -149307.1382 298.3909 97.1272 125.8775 556797.4834 -1.6710 -1.8499 PRESSURE: 4590000 -5.7739 75.6886 -93.5514 75.6883 189.292 132.712 -93.5513 132.71 -63.6485 GPRESSURE: 4590000 26.355 64.6929 -191.384 34.2609 184.208 168.187 -153.869 93.2509 12.3372 PRESSAVG: 4590000 -30.0017 16.4634 22.4743 16.4635 12.7512 3.03064 22.4742 3.03058 4.51852 GPRESSAVG: 4590000 -31.3913 16.1937 20.2818 13.7913 13.5753 3.59037 24.4405 2.96671 5.81355 TIMING: 4590000 CPU: 13785.4, 0.0029539/step Wall: 13785.4, 0.0029539/step, 0.336416 hours remaining, 210.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4590000 743.2299 2035.7863 1934.5649 119.5032 -206186.0416 17776.0702 0.0000 0.0000 34241.7966 -149335.0905 299.0421 -183576.8871 -149237.8422 298.7909 39.9565 74.3002 557115.6400 -4.2440 -4.0008 PRESSURE: 4590200 190.117 15.7495 43.6923 15.7501 -131.912 -63.9773 43.6921 -63.9786 -156.352 GPRESSURE: 4590200 217.379 -3.97547 107.236 74.6497 -71.0295 -34.6591 6.52246 -118.306 -151.807 PRESSAVG: 4590200 17.4744 29.72 -8.76244 29.7201 -45.4636 30.2044 -8.76243 30.2044 -8.619 GPRESSAVG: 4590200 18.7855 27.2211 -8.12187 33.2372 -45.7567 29.4736 -9.75781 29.7566 -9.88529 TIMING: 4590200 CPU: 13786, 0.00296554/step Wall: 13786, 0.00296554/step, 0.337578 hours remaining, 210.554688 MB of memory in use. ENERGY: 4590200 739.8076 2019.3257 1907.0268 101.9905 -205981.7159 17770.9548 0.0000 0.0000 34118.5674 -149324.0430 297.9659 -183442.6104 -149237.5418 298.7641 -32.7155 -1.8193 558149.2679 -12.2027 -12.2855 PRESSURE: 4590400 -112.698 206.181 182.475 206.181 -91.8592 100.882 182.476 100.882 -344.261 GPRESSURE: 4590400 -59.5343 249.487 169.977 236.63 -108.964 116.864 191.997 105.107 -290.118 PRESSAVG: 4590400 -9.01525 113.825 29.113 113.825 -4.43272 -4.41293 29.113 -4.41304 -2.95471 GPRESSAVG: 4590400 -10.1793 114.441 28.6215 113.183 -4.92986 -3.81927 30.9786 -5.534 -0.865133 TIMING: 4590400 CPU: 13786.6, 0.00294505/step Wall: 13786.6, 0.00294505/step, 0.335081 hours remaining, 210.554688 MB of memory in use. ENERGY: 4590400 728.9904 2059.4136 1913.4409 111.4873 -205898.2962 17497.3829 0.0000 0.0000 34148.4104 -149439.1708 298.2266 -183587.5812 -149340.0257 298.9049 -182.9394 -152.8721 558033.5217 -5.4676 -5.3247 PRESSURE: 4590600 -203.837 25.0803 -40.7522 25.0812 -30.6326 -23.6467 -40.7526 -23.6463 85.6696 GPRESSURE: 4590600 -195.309 90.3963 -60.4703 36.2455 58.4916 -66.8991 -84.812 -75.2332 88.1933 PRESSAVG: 4590600 -41.2751 26.7073 44.0785 26.7073 -14.9735 -39.2717 44.0785 -39.2718 -1.86535 GPRESSAVG: 4590600 -41.4419 26.3487 45.3737 27.9647 -13.5267 -40.2826 41.2539 -36.0591 -3.21503 TIMING: 4590600 CPU: 13787.2, 0.00295909/step Wall: 13787.2, 0.00295909/step, 0.336514 hours remaining, 210.554688 MB of memory in use. ENERGY: 4590600 754.9429 2045.0133 1932.7861 128.6342 -206312.2088 17696.6332 0.0000 0.0000 34325.7954 -149428.4037 299.7757 -183754.1991 -149337.3169 298.3034 -49.6000 -16.2080 556620.2045 -19.3713 -19.3945 PRESSURE: 4590800 -79.4561 -38.3532 -59.5731 -38.3523 -21.2587 13.0009 -59.5731 13.0021 -63.9514 GPRESSURE: 4590800 3.64502 -76.2238 -46.0818 -2.8567 40.7542 41.0401 -50.0045 -8.41067 -107.915 PRESSAVG: 4590800 6.3744 35.6328 32.8045 35.6326 77.6711 -17.7378 32.8045 -17.7379 -50.5813 GPRESSAVG: 4590800 7.20014 36.7285 31.7726 33.0508 77.1191 -15.1221 35.6137 -20.7634 -50.7467 TIMING: 4590800 CPU: 13787.8, 0.00296012/step Wall: 13787.8, 0.00296012/step, 0.336467 hours remaining, 210.554688 MB of memory in use. ENERGY: 4590800 706.0028 2008.9454 1940.0426 112.1751 -205817.2252 17564.6699 0.0000 0.0000 34082.3446 -149403.0448 297.6496 -183485.3894 -149303.2801 298.5303 -54.8888 -21.1721 557294.8335 11.1547 11.1909 PRESSURE: 4591000 279.135 113.253 64.0966 113.252 146.148 -59.5648 64.0947 -59.5636 -119.639 GPRESSURE: 4591000 291.71 120.581 51.9276 55.8939 171.052 -98.8462 -13.8007 11.0865 -69.8392 PRESSAVG: 4591000 8.58252 26.7525 7.05506 26.7525 4.27836 -21.6355 7.05509 -21.6355 -43.0417 GPRESSAVG: 4591000 9.38547 26.7958 6.8072 27.2489 3.62784 -23.3487 6.26577 -20.7723 -43.0065 TIMING: 4591000 CPU: 13788.3, 0.00294174/step Wall: 13788.3, 0.00294174/step, 0.334214 hours remaining, 210.554688 MB of memory in use. ENERGY: 4591000 729.4109 2044.8979 1965.0190 107.4958 -206460.1522 18141.3510 0.0000 0.0000 34173.6743 -149298.3035 298.4472 -183471.9778 -149200.6289 298.9252 101.8816 130.9743 558591.1935 -10.0603 -9.9977 PRESSURE: 4591200 90.1455 112.378 -135.318 112.377 333.16 -265.91 -135.317 -265.911 -59.2379 GPRESSURE: 4591200 110.786 105.198 -117.2 123.003 373.195 -302.523 -132.099 -159.037 -30.5869 PRESSAVG: 4591200 -45.0447 -7.33815 -7.17893 -7.33814 33.3977 -0.279208 -7.17896 -0.279282 -17.0149 GPRESSAVG: 4591200 -44.4202 -6.53536 -6.12574 -8.08893 33.9962 0.702186 -6.08083 -1.44313 -17.7524 TIMING: 4591200 CPU: 13788.9, 0.00294413/step Wall: 13788.9, 0.00294413/step, 0.334322 hours remaining, 210.554688 MB of memory in use. ENERGY: 4591200 727.3299 2036.6198 1922.0319 112.1049 -206672.1808 18064.4763 0.0000 0.0000 34377.7593 -149431.8587 300.2295 -183809.6180 -149339.4846 299.0757 121.3557 151.1316 557010.2337 -9.5540 -9.3921 PRESSURE: 4591400 344.492 68.6521 68.6783 68.6531 119.664 60.2791 68.6782 60.2776 156.183 GPRESSURE: 4591400 406.904 29.7719 204.737 98.1591 89.2213 -60.8741 -15.6178 78.1404 213.922 PRESSAVG: 4591400 -16.9028 -17.5505 -23.0502 -17.5505 7.94915 -25.1001 -23.0502 -25.1001 33.0509 GPRESSAVG: 4591400 -17.7654 -18.43 -21.3975 -16.2831 6.79872 -24.3471 -24.7366 -25.2718 34.8838 TIMING: 4591400 CPU: 13789.5, 0.00295737/step Wall: 13789.5, 0.00295737/step, 0.335661 hours remaining, 210.554688 MB of memory in use. ENERGY: 4591400 714.2285 2075.3254 1942.0955 106.0254 -206332.1031 17871.9637 0.0000 0.0000 34203.1936 -149419.2709 298.7050 -183622.4646 -149318.9377 298.0250 206.7798 236.6824 554918.8722 8.0324 7.9724 PRESSURE: 4591600 -10.057 -18.6611 56.2823 -18.6601 -59.8759 16.8209 56.2815 16.8204 -223.506 GPRESSURE: 4591600 46.2555 -24.6702 47.978 -100.708 -110.756 -43.3948 10.2163 41.4766 -133.677 PRESSAVG: 4591600 42.5973 -40.5368 11.1011 -40.5369 -37.2769 -35.3683 11.1011 -35.3685 -39.3998 GPRESSAVG: 4591600 42.3639 -38.3832 10.953 -42.6022 -37.1577 -37.0945 12.0477 -35.9537 -40.0323 TIMING: 4591600 CPU: 13790.1, 0.00295354/step Wall: 13790.1, 0.00295354/step, 0.335063 hours remaining, 210.605469 MB of memory in use. ENERGY: 4591600 684.3560 2109.5986 1928.8218 111.9051 -205918.4866 17430.0726 0.0000 0.0000 34455.7643 -149197.9683 300.9108 -183653.7327 -149101.9639 299.3067 -97.8130 -66.0593 556573.0783 -11.3598 -11.6087 PRESSURE: 4591800 384.144 151.581 -105.353 151.581 238.399 29.1038 -105.352 29.1031 5.74232 GPRESSURE: 4591800 424.738 116.848 -121.97 215.426 270.713 -7.02545 -39.43 76.1815 32.3576 PRESSAVG: 4591800 -2.60949 -2.31337 -1.44945 -2.31331 14.1803 -0.454112 -1.44945 -0.454018 -14.748 GPRESSAVG: 4591800 -2.60296 -2.92784 -2.9139 0.172414 14.8099 1.95577 -3.95388 0.721331 -14.9564 TIMING: 4591800 CPU: 13790.7, 0.002942/step Wall: 13790.7, 0.002942/step, 0.33359 hours remaining, 210.605469 MB of memory in use. ENERGY: 4591800 731.5151 2059.8446 1935.2944 110.8825 -206233.1972 17887.7451 0.0000 0.0000 34321.3192 -149186.5962 299.7366 -183507.9155 -149084.9899 300.0892 209.4282 242.6031 555724.3549 -1.0591 -0.9165 PRESSURE: 4592000 -54.6288 72.5093 -44.2112 72.5083 267.548 -157.807 -44.2106 -157.809 50.7491 GPRESSURE: 4592000 -24.8539 29.1495 -57.5158 118.157 300.073 -105.641 43.7508 -181.504 82.7735 PRESSAVG: 4592000 19.7648 25.0442 16.1281 25.0442 29.8322 21.7372 16.1282 21.7371 -33.6107 GPRESSAVG: 4592000 20.6131 23.3449 17.2847 24.5796 30.3571 21.037 19.0527 19.996 -34.6586 TIMING: 4592000 CPU: 13791.3, 0.0029807/step Wall: 13791.3, 0.0029807/step, 0.337812 hours remaining, 210.605469 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: 4592000 745.9134 2039.8294 1952.7940 109.4462 -206004.3988 17807.0825 0.0000 0.0000 34122.8028 -149226.5305 298.0029 -183349.3332 -149130.1739 299.6465 87.8895 119.3309 557095.0952 5.3288 5.4372 PRESSURE: 4592200 -35.8913 -5.56023 104.533 -5.5603 -49.1471 -255.707 104.534 -255.708 -94.2078 GPRESSURE: 4592200 6.96151 3.95701 44.2621 72.5225 14.4385 -235.435 84.6001 -202.747 -102.066 PRESSAVG: 4592200 -43.317 22.3411 30.6572 22.3411 64.786 -80.5243 30.6573 -80.5245 -24.1747 GPRESSAVG: 4592200 -44.3181 21.4547 29.6122 22.9942 64.4179 -79.6719 30.0895 -79.0195 -23.0029 TIMING: 4592200 CPU: 13791.9, 0.00295769/step Wall: 13791.9, 0.0029577/step, 0.335041 hours remaining, 210.605469 MB of memory in use. ENERGY: 4592200 743.8686 2052.6280 1944.8633 111.4281 -206041.6202 17710.0074 0.0000 0.0000 34336.2036 -149142.6212 299.8666 -183478.8248 -149048.3442 299.5852 -59.7487 -26.8888 558047.7630 -0.9019 -0.9677 LDB: ============= START OF LOAD BALANCING ============== 13795.4 LDB: ============== END OF LOAD BALANCING =============== 13795.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13795.4 LDB: ============= START OF LOAD BALANCING ============== 13795.7 LDB: Largest compute 4796 load 0.028162 is 23.8% of average load 0.118241 LDB: Average compute 0.001742 is 1.5% of average load 0.118241 LDB: TIME 13795.7 LOAD: AVG 0.118241 MAX 0.207498 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.074 MB LDB: TIME 13795.7 LOAD: AVG 0.118241 MAX 0.207498 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.277 MB LDB: TIME 13795.7 LOAD: AVG 0.118241 MAX 0.207498 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.277 MB LDB: ============== END OF LOAD BALANCING =============== 13795.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13795.7 PRESSURE: 4592400 -21.3004 -3.91135 -3.28863 -3.9118 -221.061 -67.826 -3.28745 -67.8246 -131.085 GPRESSURE: 4592400 -30.3276 -35.7166 -43.0572 21.6392 -135.669 -82.5526 -31.256 -10.2866 -114.312 PRESSAVG: 4592400 5.4873 -3.18093 -55.9084 -3.18089 -30.254 -7.40991 -55.9084 -7.40986 -0.091041 GPRESSAVG: 4592400 5.05875 -1.64157 -56.1952 -3.21597 -29.3775 -9.17568 -53.2452 -6.81814 -0.234557 TIMING: 4592400 CPU: 13792.5, 0.00302548/step Wall: 13792.5, 0.00302548/step, 0.342552 hours remaining, 209.292969 MB of memory in use. ENERGY: 4592400 758.9857 2078.8614 1927.8074 102.2694 -206016.0855 17672.3664 0.0000 0.0000 34423.0850 -149052.7101 300.6254 -183475.7951 -148960.9990 299.9566 -124.4824 -93.4362 559638.6558 -8.2859 -8.1844 PRESSURE: 4592600 457.254 27.4235 108.811 27.4246 -127.266 145.858 108.813 145.859 -56.793 GPRESSURE: 4592600 491.311 84.0547 138.052 148.439 -42.4035 225.591 101.87 194.183 -75.132 PRESSAVG: 4592600 112.113 15.51 31.0968 15.51 37.7996 -1.31739 31.0968 -1.31752 -59.3953 GPRESSAVG: 4592600 113.176 15.8701 31.8685 14.1253 37.5795 -0.035695 28.8976 -2.93148 -60.0007 TIMING: 4592600 CPU: 13793.1, 0.00296264/step Wall: 13793.1, 0.00296264/step, 0.335273 hours remaining, 209.496094 MB of memory in use. ENERGY: 4592600 761.2937 2047.4856 1932.7255 116.2125 -206168.3010 17986.8296 0.0000 0.0000 34278.3217 -149045.4324 299.3611 -183323.7541 -148942.5003 300.1019 91.0649 124.5917 558680.0469 30.1723 30.2516 PRESSURE: 4592800 67.5065 66.8205 26.9822 66.8209 -223.268 14.1521 26.9831 14.1525 114.457 GPRESSURE: 4592800 89.818 18.2665 65.8743 86.9715 -180.277 -60.0356 25.0583 -18.7273 145.099 PRESSAVG: 4592800 -5.40587 20.0038 -20.0481 20.0037 -4.4529 9.88393 -20.048 9.88388 -2.62938 GPRESSAVG: 4592800 -5.04654 18.7813 -19.0161 20.3009 -5.34478 9.6126 -20.1743 9.78546 -2.50263 TIMING: 4592800 CPU: 13793.7, 0.00298485/step Wall: 13793.7, 0.00298485/step, 0.33762 hours remaining, 209.554688 MB of memory in use. ENERGY: 4592800 741.3698 2111.2949 1943.7200 114.0171 -205841.5719 17604.7654 0.0000 0.0000 34356.8526 -148969.5520 300.0469 -183326.4046 -148871.8482 300.7386 -13.7682 18.2134 557238.6770 -4.1627 -4.2980 PRESSURE: 4593000 -78.7665 -58.8333 14.5236 -58.8335 302.278 96.972 14.5223 96.9726 191.74 GPRESSURE: 4593000 -61.7625 -106.735 59.0127 -37.0801 331.105 -7.36267 4.57248 144.029 234.032 PRESSAVG: 4593000 -5.99209 -25.766 -45.4345 -25.766 -36.1433 18.9878 -45.4344 18.9878 17.018 GPRESSAVG: 4593000 -7.17699 -24.6579 -46.447 -26.3175 -35.8049 15.0162 -46.0253 21.027 17.6083 TIMING: 4593000 CPU: 13794.3, 0.00301041/step Wall: 13794.3, 0.00301041/step, 0.340344 hours remaining, 209.554688 MB of memory in use. ENERGY: 4593000 687.5381 2149.7006 1953.5834 112.8055 -205632.4010 17597.8237 0.0000 0.0000 34177.2875 -148953.6622 298.4788 -183130.9497 -148861.3415 299.9704 138.4171 167.7916 556465.9405 -8.3725 -8.4579 PRESSURE: 4593200 113.142 -137.279 151.428 -137.279 235.64 -13.9832 151.428 -13.9837 117.79 GPRESSURE: 4593200 142.599 -74.3356 168.562 -176.926 270.963 33.0846 214.977 -21.0759 149.868 PRESSAVG: 4593200 -41.5136 -34.1221 -9.48037 -34.1221 36.6286 10.4854 -9.48029 10.4854 46.7491 GPRESSAVG: 4593200 -42.3456 -33.7175 -8.77966 -34.4987 36.3737 12.1891 -9.1577 8.97743 47.8434 TIMING: 4593200 CPU: 13794.9, 0.00298878/step Wall: 13794.9, 0.00298878/step, 0.337732 hours remaining, 209.554688 MB of memory in use. ENERGY: 4593200 747.9231 2071.9011 1932.3594 122.3209 -205926.7230 17799.6725 0.0000 0.0000 34350.6112 -148901.9347 299.9924 -183252.5460 -148802.6709 300.4914 155.5239 187.8104 554939.6112 13.9547 13.9572 PRESSURE: 4593400 -317.328 97.0285 -32.1171 97.028 -172.767 -108.237 -32.1166 -108.236 -137.16 GPRESSURE: 4593400 -245.938 124.352 -4.35262 99.691 -158.851 -132.115 39.2202 -72.7856 -115.184 PRESSAVG: 4593400 -24.5441 6.5883 6.42068 6.58833 53.8066 34.1447 6.42059 34.1447 39.5383 GPRESSAVG: 4593400 -23.7105 5.67229 6.68995 5.09245 52.6075 34.0518 6.36814 34.2123 39.5877 TIMING: 4593400 CPU: 13795.5, 0.00296872/step Wall: 13795.5, 0.00296872/step, 0.3353 hours remaining, 209.554688 MB of memory in use. ENERGY: 4593400 770.9527 2063.0908 1944.5547 121.5954 -205748.7342 17606.2027 0.0000 0.0000 34336.6864 -148905.6515 299.8708 -183242.3379 -148803.6705 300.5751 -209.0852 -173.3246 557312.0788 22.9336 22.8283 PRESSURE: 4593600 -80.4119 98.1236 107.372 98.1231 174.062 186.128 107.374 186.129 -135.338 GPRESSURE: 4593600 -38.1872 -66.2606 87.0518 175.699 187.19 184.635 161.378 200.423 -97.3287 PRESSAVG: 4593600 -80.4405 -15.5278 -25.6828 -15.5277 70.3143 -18.5493 -25.6827 -18.5492 2.08465 GPRESSAVG: 4593600 -79.7352 -13.4323 -27.0831 -13.5788 69.8947 -19.3258 -24.7743 -17.7239 1.81873 TIMING: 4593600 CPU: 13796.1, 0.00295022/step Wall: 13796.1, 0.00295022/step, 0.333047 hours remaining, 209.554688 MB of memory in use. ENERGY: 4593600 764.4240 2096.5820 1925.0504 115.9352 -206156.2348 17838.9979 0.0000 0.0000 34370.7795 -149044.4657 300.1686 -183415.2452 -148957.2545 300.2994 -13.8958 17.2246 557906.2891 -2.6805 -2.6739 PRESSURE: 4593800 -421.18 119.66 -171.54 119.66 28.0829 81.8222 -171.54 81.8218 -205.952 GPRESSURE: 4593800 -373.886 141.778 -156.999 130.5 52.6738 43.9845 -186.637 39.1068 -172.983 PRESSAVG: 4593800 -75.3192 12.5696 -23.4759 12.5696 75.374 -20.0154 -23.4759 -20.0156 -26.9413 GPRESSAVG: 4593800 -75.7661 12.3434 -19.959 12.6511 76.1047 -19.3745 -24.8971 -21.4151 -26.5567 TIMING: 4593800 CPU: 13796.7, 0.0029367/step Wall: 13796.7, 0.0029367/step, 0.331358 hours remaining, 209.785156 MB of memory in use. ENERGY: 4593800 732.1662 2105.7930 1932.2940 127.7510 -205598.3983 17601.4402 0.0000 0.0000 34136.0982 -148962.8557 298.1190 -183098.9539 -148864.3909 300.6814 -199.6832 -164.7318 557960.5789 -8.9622 -8.7394 PRESSURE: 4594000 41.8076 -61.7749 48.0814 -61.7749 -63.7871 -13.7626 48.0825 -13.7639 179.174 GPRESSURE: 4594000 86.2663 -87.3833 -20.1821 -121.626 -17.5564 18.384 152.001 -59.3349 175.481 PRESSAVG: 4594000 -10.5381 -15.3162 9.97187 -15.3162 81.7368 -10.0919 9.97181 -10.0919 -2.28551 GPRESSAVG: 4594000 -9.37413 -16.7939 8.09339 -15.903 80.7326 -8.03031 9.72019 -8.6174 -2.21135 TIMING: 4594000 CPU: 13797.2, 0.00294415/step Wall: 13797.2, 0.00294415/step, 0.332034 hours remaining, 209.785156 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: 4594000 727.5122 2075.5246 1918.8280 108.2174 -205762.7936 17816.0530 0.0000 0.0000 34354.1425 -148762.5159 300.0233 -183116.6584 -148670.3270 300.2994 52.3980 81.3968 558511.1280 22.9710 23.0490 PRESSURE: 4594200 -278.24 -22.19 5.10457 -22.1893 -52.5947 184.135 5.10589 184.136 27.2216 GPRESSURE: 4594200 -222.989 -26.8481 -125.915 -52.2408 -36.9064 114.464 72.0359 186.368 61.0386 PRESSAVG: 4594200 67.6878 15.6922 30.5814 15.6922 -59.1933 -32.6973 30.5815 -32.6973 -22.9891 GPRESSAVG: 4594200 65.6597 16.0275 28.7452 14.1227 -57.6317 -34.7519 31.949 -33.8975 -23.1788 TIMING: 4594200 CPU: 13797.8, 0.0029503/step Wall: 13797.8, 0.0029503/step, 0.332564 hours remaining, 209.785156 MB of memory in use. ENERGY: 4594200 738.8368 2018.9574 1931.1726 107.7369 -205622.7609 17610.7972 0.0000 0.0000 34498.1743 -148717.0855 301.2811 -183215.2598 -148611.6243 301.0514 -101.2043 -66.2857 560367.2700 -4.8315 -5.0502 PRESSURE: 4594400 613.759 84.6763 22.4131 84.6752 413.809 269.708 22.4134 269.71 236.758 GPRESSURE: 4594400 591.654 26.0617 -20.5136 89.5827 491.745 302.899 63.9207 304.266 272.648 PRESSAVG: 4594400 13.6624 25.0255 29.2663 25.0256 30.2685 -2.3992 29.2663 -2.39917 -43.6259 GPRESSAVG: 4594400 13.4285 24.8829 32.1214 24.8084 29.0412 -0.526937 28.47 -1.84432 -41.9558 TIMING: 4594400 CPU: 13798.4, 0.00295331/step Wall: 13798.4, 0.00295331/step, 0.332739 hours remaining, 209.785156 MB of memory in use. ENERGY: 4594400 739.8207 2058.9528 1921.9228 111.3472 -205926.4000 18221.9237 0.0000 0.0000 34176.9820 -148695.4508 298.4761 -182872.4328 -148600.8813 300.1426 421.4419 452.0157 556886.1397 0.1017 0.1713 PRESSURE: 4594600 63.0167 -72.2379 91.9469 -72.2365 -63.6588 -111.057 91.949 -111.056 -156.884 GPRESSURE: 4594600 69.4059 -167.74 120.093 4.67793 -48.3604 -65.3826 75.8147 -84.6599 -84.9039 PRESSAVG: 4594600 19.8466 -1.26589 10.559 -1.26595 41.8189 6.12871 10.559 6.12872 -55.0837 GPRESSAVG: 4594600 20.6724 -0.833994 9.45392 -0.913091 43.0852 5.2461 11.301 7.4163 -57.264 TIMING: 4594600 CPU: 13799, 0.0029425/step Wall: 13799, 0.0029425/step, 0.331359 hours remaining, 209.785156 MB of memory in use. ENERGY: 4594600 782.9562 2114.4375 1951.1414 107.1933 -206106.5044 17910.4247 0.0000 0.0000 34553.9065 -148686.4449 301.7679 -183240.3513 -148587.0850 300.7562 -52.5085 -21.2861 558005.5272 2.1940 2.1645 PRESSURE: 4594800 -98.9795 74.5088 85.8416 74.5092 191.38 35.9181 85.8425 35.9185 46.0405 GPRESSURE: 4594800 -39.1334 156.452 102.076 38.2048 198.885 -21.1913 57.3902 22.5342 83.2484 PRESSAVG: 4594800 -47.017 38.364 -3.7994 38.3641 56.6711 33.6983 -3.79941 33.6983 -16.1046 GPRESSAVG: 4594800 -47.3444 37.6811 -4.03494 40.1706 55.1826 32.6674 -5.41902 33.2982 -13.7295 TIMING: 4594800 CPU: 13799.6, 0.00294756/step Wall: 13799.6, 0.00294756/step, 0.331764 hours remaining, 209.785156 MB of memory in use. ENERGY: 4594800 751.8193 2075.8803 1928.2402 102.5210 -205722.6609 17853.7561 0.0000 0.0000 34493.6471 -148516.7970 301.2416 -183010.4440 -148415.7610 300.9724 46.1470 81.0001 558116.9215 -2.1502 -1.9638 PRESSURE: 4595000 -55.6743 -117.142 113.078 -117.144 -71.8253 -12.3245 113.08 -12.3253 -138.478 GPRESSURE: 4595000 -59.4324 -154.068 -17.6672 -24.2147 -54.4519 50.861 115.752 9.53812 -53.2123 PRESSAVG: 4595000 -26.1759 24.3074 27.5102 24.3074 54.8093 -30.5745 27.5102 -30.5745 -23.8609 GPRESSAVG: 4595000 -26.1038 25.3088 25.3905 22.656 55.0757 -28.7092 30.6161 -29.9824 -24.0289 TIMING: 4595000 CPU: 13800.2, 0.00292699/step Wall: 13800.2, 0.00292699/step, 0.329286 hours remaining, 209.785156 MB of memory in use. ENERGY: 4595000 743.1252 2139.4280 1922.2631 102.2379 -205715.8431 17546.0250 0.0000 0.0000 34574.0895 -148688.6743 301.9441 -183262.7638 -148592.2882 301.1025 -88.6590 -55.6989 558132.7413 1.5908 1.6477 PRESSURE: 4595200 67.9253 113.052 -91.1962 113.052 -53.7223 -31.6962 -91.1966 -31.6954 61.1723 GPRESSURE: 4595200 115.358 232.931 -65.8397 115.091 -8.47764 57.0262 -63.3069 -94.6309 69.5655 PRESSAVG: 4595200 54.4445 19.6585 -27.918 19.6586 -19.8488 26.3866 -27.918 26.3868 -38.0387 GPRESSAVG: 4595200 55.0556 18.7165 -27.5969 18.4015 -20.2818 25.9018 -29.4136 23.9729 -38.7346 TIMING: 4595200 CPU: 13800.8, 0.00293286/step Wall: 13800.8, 0.00293286/step, 0.329784 hours remaining, 209.785156 MB of memory in use. ENERGY: 4595200 734.1874 2055.8049 1904.0586 107.3288 -205784.5208 17685.2408 0.0000 0.0000 34611.3453 -148686.5550 302.2695 -183297.9003 -148587.2580 300.7021 25.1251 58.8154 557744.6239 -1.1477 -1.3203 PRESSURE: 4595400 -46.3885 94.7371 29.2173 94.7358 251.084 -30.3502 29.2174 -30.3493 141.271 GPRESSURE: 4595400 -8.18356 165.217 21.6629 52.2197 260.498 5.76389 39.2079 -130.259 188.575 PRESSAVG: 4595400 -36.9316 -26.8922 -47.196 -26.8922 21.141 32.8045 -47.196 32.8044 2.09503 GPRESSAVG: 4595400 -37.4691 -24.7813 -45.8746 -25.8949 21.5125 33.1153 -48.2969 34.3799 2.39647 TIMING: 4595400 CPU: 13801.4, 0.00296419/step Wall: 13801.4, 0.00296419/step, 0.333143 hours remaining, 209.785156 MB of memory in use. ENERGY: 4595400 763.3555 2123.8215 1939.7462 104.6861 -206009.5648 17932.7373 0.0000 0.0000 34423.4665 -148721.7518 300.6287 -183145.2183 -148632.5960 300.9661 115.3222 146.9632 557398.4499 -4.5652 -4.5201 PRESSURE: 4595600 202.696 -13.6399 26.3635 -13.6396 280.263 10.1133 26.3641 10.1128 229.581 GPRESSURE: 4595600 178.655 35.5437 31.0802 -127.961 304.233 -22.1178 74.8246 39.616 337.292 PRESSAVG: 4595600 -40.7392 1.46669 -32.5034 1.46671 57.5744 47.9316 -32.5035 47.9315 22.5555 GPRESSAVG: 4595600 -40.1032 0.144588 -32.4897 1.32312 56.7404 45.0096 -32.6489 48.6274 23.0771 TIMING: 4595600 CPU: 13802, 0.00296478/step Wall: 13802, 0.00296478/step, 0.333043 hours remaining, 209.785156 MB of memory in use. ENERGY: 4595600 733.6067 2093.3563 1935.7812 117.1164 -206190.4032 18103.7171 0.0000 0.0000 34331.9022 -148874.9232 299.8290 -183206.8254 -148775.6814 300.6229 237.5133 273.3930 557372.3328 13.1303 13.2381 PRESSURE: 4595800 116.12 186.242 -34.4706 186.242 -42.8383 -33.3066 -34.4714 -33.3062 -31.5878 GPRESSURE: 4595800 105.063 209.985 -5.62369 163.751 -23.1575 -91.9482 -47.926 0.595254 49.0408 PRESSAVG: 4595800 -72.3242 -35.001 43.2036 -35.001 -14.1924 -11.0639 43.2037 -11.0639 96.0397 GPRESSAVG: 4595800 -73.1693 -34.7154 41.7919 -34.7071 -13.5285 -9.38196 44.5018 -11.9118 95.3776 TIMING: 4595800 CPU: 13802.6, 0.00295754/step Wall: 13802.6, 0.00295754/step, 0.332066 hours remaining, 209.785156 MB of memory in use. ENERGY: 4595800 730.8980 2066.4857 1942.8410 122.2518 -206155.5603 17847.3477 0.0000 0.0000 34418.8055 -149026.9307 300.5880 -183445.7362 -148927.8806 299.7593 13.8981 43.6489 557105.7940 3.1744 2.8933 PRESSURE: 4596000 -52.0385 -52.1429 12.2727 -52.1419 213.513 -75.7377 12.2723 -75.7388 200.647 GPRESSURE: 4596000 14.7014 -78.9492 50.7752 -29.4662 262.498 -29.7772 -44.8936 -87.8345 188.445 PRESSAVG: 4596000 -32.5073 -13.5913 29.5748 -13.5913 -4.33003 11.5154 29.5748 11.5154 -12.6403 GPRESSAVG: 4596000 -32.0709 -16.4246 30.7501 -10.9244 -4.35543 10.8337 27.725 13.2667 -13.1005 TIMING: 4596000 CPU: 13803.1, 0.00296433/step Wall: 13803.1, 0.00296433/step, 0.332664 hours remaining, 209.785156 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: 4596000 747.2816 2126.2612 1928.0670 110.9978 -205998.7458 17824.2097 0.0000 0.0000 34206.7484 -149055.1802 298.7360 -183261.9286 -148960.9545 299.3852 120.7074 155.2149 556965.2562 -16.4925 -16.5089 PRESSURE: 4596200 -170.6 -125.892 -5.47062 -125.893 217.193 -68.7718 -5.47057 -68.7725 152.488 GPRESSURE: 4596200 -156.325 -113.205 -9.0845 -185.868 228.394 -99.9081 -86.0655 10.9526 220.437 PRESSAVG: 4596200 -50.9239 -9.42417 63.8233 -9.4242 17.4096 -22.7615 63.8233 -22.7615 12.9037 GPRESSAVG: 4596200 -51.9117 -6.83671 63.3296 -10.4399 18.5523 -21.4975 64.0479 -25.3655 12.4171 TIMING: 4596200 CPU: 13803.7, 0.00294502/step Wall: 13803.7, 0.00294502/step, 0.330333 hours remaining, 209.785156 MB of memory in use. ENERGY: 4596200 760.7649 2067.5859 1919.9598 115.6897 -205698.1126 17793.5785 0.0000 0.0000 34163.2947 -148877.2391 298.3565 -183040.5338 -148785.5094 300.2158 66.3604 97.5020 558217.4419 -6.8702 -6.9808 LDB: ============= START OF LOAD BALANCING ============== 13807.3 LDB: ============== END OF LOAD BALANCING =============== 13807.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13807.3 LDB: ============= START OF LOAD BALANCING ============== 13807.6 LDB: Largest compute 4796 load 0.026675 is 22.6% of average load 0.118151 LDB: Average compute 0.001738 is 1.5% of average load 0.118151 LDB: TIME 13807.6 LOAD: AVG 0.118151 MAX 0.207496 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.953 MB LDB: TIME 13807.6 LOAD: AVG 0.118151 MAX 0.207496 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.953 MB LDB: TIME 13807.6 LOAD: AVG 0.118151 MAX 0.207496 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.953 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13807.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13807.6 PRESSURE: 4596400 -35.6153 -14.7883 -107.171 -14.7873 -31.846 -48.0369 -107.171 -48.0353 -108.095 GPRESSURE: 4596400 -22.1617 -35.2851 -47.5401 -25.1899 -0.111077 -38.3236 -195.213 -29.5293 -58.9099 PRESSAVG: 4596400 -33.5268 6.58272 -28.2246 6.58277 26.6226 31.5064 -28.2246 31.5064 -2.37357 GPRESSAVG: 4596400 -32.4543 5.06818 -26.4613 7.1064 25.3774 30.722 -29.7233 30.8852 -2.21552 TIMING: 4596400 CPU: 13804.3, 0.00303269/step Wall: 13804.3, 0.00303269/step, 0.339998 hours remaining, 209.031250 MB of memory in use. ENERGY: 4596400 770.9408 2081.5153 1956.1066 105.8402 -205836.9785 17650.8719 0.0000 0.0000 34397.9954 -148873.7082 300.4062 -183271.7036 -148773.3027 299.5641 -58.5187 -27.0609 557042.7435 -3.0926 -3.0975 PRESSURE: 4596600 -201.111 -15.0547 59.8256 -15.0556 21.461 89.8088 59.8255 89.8087 163.235 GPRESSURE: 4596600 -129.941 46.8777 105.304 -30.8695 56.0502 49.7346 13.8301 26.3084 166.781 PRESSAVG: 4596600 -44.1087 -7.45981 -63.5523 -7.45971 14.4508 14.0238 -63.5523 14.0238 25.122 GPRESSAVG: 4596600 -44.7877 -7.78147 -65.2166 -7.68787 14.5863 14.287 -63.6526 15.7513 25.6262 TIMING: 4596600 CPU: 13804.9, 0.002978/step Wall: 13804.9, 0.002978/step, 0.333701 hours remaining, 209.234375 MB of memory in use. ENERGY: 4596600 779.7358 2015.1861 1964.3422 108.3074 -206214.8242 17854.7130 0.0000 0.0000 34527.0091 -148965.5308 301.5330 -183492.5399 -148873.5121 300.7029 -5.4716 30.9631 556796.9545 -1.5120 -1.5250 PRESSURE: 4596800 51.8644 42.912 -31.2358 42.911 136.855 -117.555 -31.2358 -117.556 -42.803 GPRESSURE: 4596800 106.732 42.9597 -95.7865 38.8718 91.2612 -96.5844 -17.272 -40.1295 42.5872 PRESSAVG: 4596800 -34.9733 -20.8001 -16.8287 -20.8002 3.86801 -24.4466 -16.8287 -24.4467 54.008 GPRESSAVG: 4596800 -34.694 -20.3226 -16.8452 -20.1828 3.07905 -23.0628 -13.033 -26.3781 54.6693 TIMING: 4596800 CPU: 13805.5, 0.00295986/step Wall: 13805.5, 0.00295986/step, 0.331504 hours remaining, 209.234375 MB of memory in use. ENERGY: 4596800 771.0957 2065.7134 1914.1980 115.9695 -206106.4136 17872.7114 0.0000 0.0000 34506.6835 -148860.0421 301.3554 -183366.7256 -148767.5603 300.0108 48.6390 80.1934 555672.8174 7.6342 7.6848 PRESSURE: 4597000 216.553 -17.0762 -1.30047 -17.0758 -128.894 -176.871 -1.30035 -176.871 -37.3442 GPRESSURE: 4597000 278.565 58.1066 -60.1972 5.6055 -93.5483 -156.399 -13.6505 -203.482 -35.6028 PRESSAVG: 4597000 -6.61802 -18.519 -3.92615 -18.5189 -13.3786 -24.3116 -3.92613 -24.3115 -12.058 GPRESSAVG: 4597000 -6.90384 -16.5264 -4.15752 -21.0638 -12.905 -23.7303 -3.84625 -24.0839 -12.5303 TIMING: 4597000 CPU: 13806.1, 0.00294593/step Wall: 13806.1, 0.00294593/step, 0.329781 hours remaining, 209.234375 MB of memory in use. ENERGY: 4597000 800.3327 2067.1433 1970.1617 120.5088 -205948.7784 17760.1344 0.0000 0.0000 34402.1135 -148828.3840 300.4422 -183230.4975 -148733.8652 300.4470 16.7715 49.8047 557500.3064 -10.6849 -10.7797 PRESSURE: 4597200 -40.3486 -11.2753 21.3771 -11.276 -156.132 -272.952 21.3754 -272.953 -288.115 GPRESSURE: 4597200 -40.6766 79.7961 -9.1286 -130.952 -83.5702 -346.163 33.4335 -169.75 -256.496 PRESSAVG: 4597200 40.519 43.953 10.1918 43.9529 -0.433884 -28.0176 10.1918 -28.0178 -38.8323 GPRESSAVG: 4597200 40.1853 44.3507 8.93905 41.6311 1.13272 -27.81 9.69927 -28.4657 -39.7425 TIMING: 4597200 CPU: 13806.7, 0.00296646/step Wall: 13806.7, 0.00296646/step, 0.331914 hours remaining, 209.234375 MB of memory in use. ENERGY: 4597200 736.4671 2093.2584 1946.2081 123.5762 -205754.1549 17499.2096 0.0000 0.0000 34474.2037 -148881.2318 301.0718 -183355.4354 -148785.7064 300.6312 -161.5320 -126.9143 559176.0839 0.4176 0.5252 PRESSURE: 4597400 -145.99 -3.09146 131.526 -3.09186 -136.27 58.5674 131.526 58.5677 -62.4069 GPRESSURE: 4597400 -66.1303 27.4581 143.18 -42.2992 -86.9155 99.5855 198.897 91.9789 -100.182 PRESSAVG: 4597400 34.4857 -3.30513 -57.1625 -3.30521 -29.8718 26.3722 -57.1625 26.3723 -18.7139 GPRESSAVG: 4597400 35.631 -5.06814 -55.8011 -1.81109 -30.9389 23.5877 -58.1013 27.1932 -18.5888 TIMING: 4597400 CPU: 13807.3, 0.00299842/step Wall: 13807.3, 0.00299842/step, 0.335323 hours remaining, 209.234375 MB of memory in use. ENERGY: 4597400 737.7269 2128.6853 1956.8603 101.1954 -205504.8848 17322.2461 0.0000 0.0000 34387.6813 -148870.4895 300.3162 -183258.1708 -148768.4957 300.5623 -114.8892 -84.4093 556848.1711 -4.7000 -4.6322 PRESSURE: 4597600 2.68807 -42.7255 39.9698 -42.7257 -38.0072 37.9889 39.9695 37.9885 -20.9493 GPRESSURE: 4597600 -26.89 -128.388 124.658 -29.6226 45.6933 25.6027 -36.1875 30.3577 23.005 PRESSAVG: 4597600 44.5817 -1.3986 28.2444 -1.39852 -36.744 -45.6714 28.2443 -45.6715 6.37914 GPRESSAVG: 4597600 44.2422 0.32371 28.6464 -0.742528 -37.5799 -44.4235 27.7217 -46.2731 7.30594 TIMING: 4597600 CPU: 13807.9, 0.00296232/step Wall: 13807.9, 0.00296232/step, 0.331122 hours remaining, 209.234375 MB of memory in use. ENERGY: 4597600 776.4210 2056.8957 1968.7232 109.9613 -205568.5276 17535.9053 0.0000 0.0000 34224.2641 -148896.3570 298.8890 -183120.6211 -148795.0859 300.7056 -18.7561 13.9361 556299.0211 4.7389 4.6561 PRESSURE: 4597800 -276.743 85.8667 -40.3479 85.8664 91.3183 -91.6844 -40.3487 -91.6862 -127.021 GPRESSURE: 4597800 -149.68 128.179 -16.9079 33.994 68.3675 -51.1802 -64.1763 -142.958 -132.785 PRESSAVG: 4597800 -38.2992 11.4473 -15.0682 11.4473 -3.91898 -5.04632 -15.0683 -5.04637 33.1124 GPRESSAVG: 4597800 -38.3136 9.51781 -14.5509 12.4028 -3.32675 -6.74489 -16.7795 -3.5975 32.397 TIMING: 4597800 CPU: 13808.5, 0.00295313/step Wall: 13808.5, 0.00295313/step, 0.32993 hours remaining, 209.234375 MB of memory in use. ENERGY: 4597800 777.7671 2051.2420 1929.2099 109.6194 -205695.1054 17622.4570 0.0000 0.0000 34184.6258 -149020.1840 298.5428 -183204.8099 -148915.4410 300.4723 -104.1485 -71.3659 557326.6020 -3.0353 -3.0811 PRESSURE: 4598000 99.0221 -3.35338 186.043 -3.3524 -13.7633 23.4492 186.042 23.4496 -136.965 GPRESSURE: 4598000 155.682 -28.9478 108.253 60.5096 59.1158 -8.95699 200.011 42.3382 -161.161 PRESSAVG: 4598000 41.2721 43.5124 14.3604 43.5125 -26.9121 64.3253 14.3604 64.3252 -3.56811 GPRESSAVG: 4598000 41.2677 42.2756 13.2513 44.2024 -26.4605 66.1336 14.8899 61.4444 -3.74456 TIMING: 4598000 CPU: 13809.1, 0.00294385/step Wall: 13809.1, 0.00294385/step, 0.328729 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: 4598000 735.0422 2103.5823 1924.1658 122.0239 -205940.2654 17716.7608 0.0000 0.0000 34377.1377 -148961.5527 300.2241 -183338.6905 -148856.7875 300.1440 -17.2354 17.8790 557021.8779 3.5973 3.6876 PRESSURE: 4598200 -149.159 56.0056 123.089 56.006 -122.343 -90.0086 123.089 -90.0082 23.8696 GPRESSURE: 4598200 -65.0493 2.31979 134.255 42.5326 -59.2543 -92.2565 186.576 -98.8312 -20.2593 PRESSAVG: 4598200 46.8056 0.0518448 37.4 0.0518659 -88.632 21.584 37.4 21.584 6.26359 GPRESSAVG: 4598200 46.1589 3.83566 36.4222 -4.09185 -87.8203 21.2989 39.4659 20.2501 6.244 TIMING: 4598200 CPU: 13809.7, 0.00295961/step Wall: 13809.7, 0.00295961/step, 0.330325 hours remaining, 209.234375 MB of memory in use. ENERGY: 4598200 734.4098 2094.3497 1926.5201 110.8021 -205644.3293 17569.6823 0.0000 0.0000 34430.0943 -148778.4710 300.6866 -183208.5653 -148681.9975 299.8695 -82.5442 -48.1876 558829.3294 -11.8543 -11.8058 PRESSURE: 4598400 241.292 0.807164 -49.0267 0.807344 203.473 95.4299 -49.0272 95.4299 316.827 GPRESSURE: 4598400 252.021 -108.293 -105.626 92.8865 276.93 138.518 -10.8536 9.16657 321.214 PRESSAVG: 4598400 74.9543 -16.6022 34.5679 -16.6022 -66.7805 -39.2285 34.5678 -39.2285 -4.06134 GPRESSAVG: 4598400 75.1042 -17.7223 35.513 -14.0095 -67.8465 -38.3666 34.1567 -38.4716 -3.36096 TIMING: 4598400 CPU: 13810.3, 0.00296325/step Wall: 13810.3, 0.00296325/step, 0.330567 hours remaining, 209.234375 MB of memory in use. ENERGY: 4598400 736.8888 2062.8457 1957.4265 119.0594 -206130.5319 18023.2296 0.0000 0.0000 34673.7280 -148557.3539 302.8143 -183231.0819 -148468.3813 300.6691 253.8636 283.3886 557782.2964 1.3708 1.2989 PRESSURE: 4598600 -45.8896 -65.666 -190.566 -65.6662 127.463 133.546 -190.565 133.547 83.424 GPRESSURE: 4598600 15.2422 -45.9184 -214.69 -98.2665 168.672 151.046 -121.173 120.757 76.7159 PRESSAVG: 4598600 -14.7259 -40.7912 12.1898 -40.7912 -14.6588 28.0091 12.1897 28.0091 51.8586 GPRESSAVG: 4598600 -13.9591 -42.5152 12.683 -41.3916 -14.8676 25.6783 8.6446 30.6787 51.1814 TIMING: 4598600 CPU: 13810.9, 0.0029455/step Wall: 13810.9, 0.0029455/step, 0.328424 hours remaining, 209.437500 MB of memory in use. ENERGY: 4598600 767.9200 2136.2049 1921.4372 116.4312 -206046.8483 17854.7150 0.0000 0.0000 34582.4058 -148667.7343 302.0168 -183250.1400 -148574.4270 300.9722 54.9993 86.8767 558646.9772 7.4913 7.4516 PRESSURE: 4598800 -175.782 -50.7152 -24.1569 -50.716 -128.016 -27.6327 -24.1574 -27.6321 -197.615 GPRESSURE: 4598800 -240.534 -18.1294 43.9624 -192.343 -50.8369 -107.346 -34.6442 -8.00994 -116.308 PRESSAVG: 4598800 -15.2319 -22.8434 -15.4039 -22.8435 -24.392 22.6967 -15.4038 22.6967 -14.1976 GPRESSAVG: 4598800 -15.144 -21.6913 -14.9821 -25.001 -23.5585 22.9504 -14.4365 21.9308 -14.6043 TIMING: 4598800 CPU: 13811.4, 0.00294047/step Wall: 13811.4, 0.00294047/step, 0.327699 hours remaining, 209.437500 MB of memory in use. ENERGY: 4598800 696.6378 2070.9258 1938.4672 117.1118 -205389.1465 17382.7529 0.0000 0.0000 34477.1139 -148706.1370 301.0972 -183183.2509 -148614.0587 300.8166 -167.1376 -135.8930 558968.3502 -17.9405 -17.7689 PRESSURE: 4599000 -198.199 20.0144 -37.6106 20.0133 176.393 -198.946 -37.6102 -198.946 146.808 GPRESSURE: 4599000 -99.7946 -51.6321 15.3289 63.0947 141.27 -229.468 -8.58614 -205.737 182.981 PRESSAVG: 4599000 -8.93518 -65.0156 -31.0804 -65.0157 -10.076 30.2169 -31.0804 30.2169 -0.669358 GPRESSAVG: 4599000 -8.90669 -65.3357 -32.546 -62.149 -10.942 31.2261 -29.4631 29.3813 0.0505153 TIMING: 4599000 CPU: 13812, 0.0029477/step Wall: 13812, 0.0029477/step, 0.328341 hours remaining, 209.437500 MB of memory in use. ENERGY: 4599000 723.4507 2096.0981 1957.4610 121.3212 -205974.3524 17775.6956 0.0000 0.0000 34559.9569 -148740.3689 301.8207 -183300.3258 -148644.6062 300.4519 41.6674 74.8191 558425.0659 -6.5602 -6.5994 PRESSURE: 4599200 -56.7334 -23.2198 108.458 -23.2213 4.32195 -41.9815 108.459 -41.9801 -97.7598 GPRESSURE: 4599200 -33.1775 -1.32654 87.7642 -32.101 9.3971 22.7173 60.8968 -41.6044 -37.6002 PRESSAVG: 4599200 -29.2734 -32.1514 -4.60496 -32.1513 60.8172 -65.4319 -4.60499 -65.4317 -19.9112 GPRESSAVG: 4599200 -30.5344 -33.7791 -1.83096 -29.8837 60.1998 -66.5178 -6.55659 -62.5226 -19.0772 TIMING: 4599200 CPU: 13812.6, 0.00294281/step Wall: 13812.6, 0.00294281/step, 0.327633 hours remaining, 209.437500 MB of memory in use. ENERGY: 4599200 732.5188 2089.1314 1964.7598 101.9299 -205926.7166 17615.6550 0.0000 0.0000 34548.6346 -148874.0871 301.7218 -183422.7218 -148781.9289 300.3041 -50.0571 -20.4602 557780.3982 3.8775 3.5294 PRESSURE: 4599400 -320.79 -60.8266 156.9 -60.8259 -126.326 -303.131 156.899 -303.129 -22.3574 GPRESSURE: 4599400 -296.259 -30.0058 161.145 -60.8493 -88.9285 -308.097 176.123 -341.962 11.6108 PRESSAVG: 4599400 -96.0561 33.3421 -12.2082 33.3422 45.6147 -5.02808 -12.2082 -5.02815 -1.0137 GPRESSAVG: 4599400 -94.3668 34.3073 -13.0543 31.4655 45.3285 -6.25419 -11.1498 -4.0964 -2.31871 TIMING: 4599400 CPU: 13813.2, 0.00297058/step Wall: 13813.2, 0.00297058/step, 0.33056 hours remaining, 209.437500 MB of memory in use. ENERGY: 4599400 757.7458 2084.4600 1941.9873 119.6147 -205492.2655 17358.1347 0.0000 0.0000 34273.8399 -148956.4832 299.3220 -183230.3231 -148855.3035 300.6734 -156.4912 -124.5255 556629.5835 -17.1517 -17.1190 PRESSURE: 4599600 152.708 16.9319 -183.703 16.9319 -51.9406 -20.902 -183.704 -20.9018 -33.685 GPRESSURE: 4599600 150.283 -59.2279 -121.292 42.2895 11.7065 -11.5114 -176.061 -93.8913 3.94336 PRESSAVG: 4599600 -18.7848 22.7962 -23.972 22.7962 39.6888 -73.4804 -23.9721 -73.4806 22.158 GPRESSAVG: 4599600 -20.3123 23.5491 -21.2002 22.4508 40.8137 -72.8251 -24.8917 -74.836 22.7898 TIMING: 4599600 CPU: 13813.8, 0.00297907/step Wall: 13813.8, 0.00297907/step, 0.331339 hours remaining, 209.437500 MB of memory in use. ENERGY: 4599600 717.8207 2074.5287 1937.9634 105.9953 -205559.3308 17529.9041 0.0000 0.0000 34278.3768 -148914.7419 299.3616 -183193.1187 -148808.2481 299.4728 22.3608 55.3111 555337.0936 14.3540 14.4304 PRESSURE: 4599800 -47.709 -203.872 -74.9748 -203.873 40.5926 -4.41339 -74.9741 -4.4135 79.7517 GPRESSURE: 4599800 -27.8684 -113.698 -59.9035 -169.013 157.059 34.8608 -96.1935 -2.79271 41.1021 PRESSAVG: 4599800 -17.9317 -27.236 52.0564 -27.236 17.4382 -61.2754 52.0564 -61.2755 -4.60788 GPRESSAVG: 4599800 -17.3178 -26.5009 49.8829 -28.7978 16.9074 -61.305 52.8433 -59.6729 -4.88144 TIMING: 4599800 CPU: 13814.4, 0.00297911/step Wall: 13814.4, 0.00297911/step, 0.331178 hours remaining, 209.437500 MB of memory in use. ENERGY: 4599800 738.8693 2082.2348 1922.5128 108.4196 -205972.1717 17791.7173 0.0000 0.0000 34243.0955 -149085.3223 299.0535 -183328.4178 -148990.8798 299.8223 24.2117 56.7643 556218.5695 -1.7005 -1.7640 PRESSURE: 4600000 -48.8602 -125.558 -6.35809 -125.559 -16.6157 -153.846 -6.3584 -153.848 124.974 GPRESSURE: 4600000 -18.2982 -73.7666 -6.08935 -119.02 -8.41846 -165.089 6.38292 -100.603 185.842 PRESSAVG: 4600000 -66.3209 -5.86955 -24.7639 -5.86947 -19.6356 -36.3399 -24.7641 -36.3399 61.5459 GPRESSAVG: 4600000 -66.7814 -6.69436 -23.0477 -3.29693 -19.4684 -36.3184 -24.5314 -37.1977 62.0948 TIMING: 4600000 CPU: 13815, 0.00296969/step Wall: 13815, 0.00296969/step, 0.329965 hours remaining, 209.437500 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: 4600000 759.0323 2153.0210 1946.1638 114.3121 -205881.6278 17644.1271 0.0000 0.0000 34256.3464 -149008.6250 299.1692 -183264.9715 -148918.6391 299.9803 19.8327 53.0418 556362.5577 -8.1369 -8.0517 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4600000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 4600000 WRITING COORDINATES TO RESTART FILE AT STEP 4600000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4600200 -155.307 -77.4806 85.6086 -77.4814 52.7988 -68.0779 85.6098 -68.0777 207.404 GPRESSURE: 4600200 -129.252 -88.0378 30.4223 -18.1356 32.9004 -137.196 67.1817 -26.7916 295.421 PRESSAVG: 4600200 29.063 -31.8226 35.7592 -31.8225 -15.3932 -70.8276 35.7593 -70.8276 -5.39584 GPRESSAVG: 4600200 30.0362 -31.5054 33.8845 -31.5059 -16.0192 -70.7947 37.0403 -71.0494 -6.07392 TIMING: 4600200 CPU: 13815.6, 0.00305402/step Wall: 13815.6, 0.00305402/step, 0.339166 hours remaining, 209.507812 MB of memory in use. ENERGY: 4600200 764.6552 2115.7517 1945.0948 98.9848 -206626.3292 17939.9265 0.0000 0.0000 34707.9141 -149054.0021 303.1128 -183761.9162 -148954.5615 300.7694 34.9654 66.3564 557697.8842 2.7580 2.6477 LDB: ============= START OF LOAD BALANCING ============== 13819.1 LDB: ============== END OF LOAD BALANCING =============== 13819.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13819.1 LDB: ============= START OF LOAD BALANCING ============== 13819.4 LDB: Largest compute 4796 load 0.027030 is 22.9% of average load 0.118111 LDB: Average compute 0.001732 is 1.5% of average load 0.118111 LDB: TIME 13819.4 LOAD: AVG 0.118111 MAX 0.208799 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.676 MB LDB: TIME 13819.4 LOAD: AVG 0.118111 MAX 0.208799 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.742 MB LDB: TIME 13819.4 LOAD: AVG 0.118111 MAX 0.208799 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.742 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13819.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13819.4 PRESSURE: 4600400 48.9979 -45.5812 10.6845 -45.581 -191.695 -17.7708 10.6834 -17.7725 -256.197 GPRESSURE: 4600400 94.9639 -27.9861 54.3298 -22.5234 -173.806 28.0328 -15.4674 -16.0142 -220.116 PRESSAVG: 4600400 18.5011 -66.2999 -6.67918 -66.2999 -42.9213 8.30543 -6.6792 8.30548 32.9414 GPRESSAVG: 4600400 16.2209 -65.7104 -5.22833 -67.5111 -41.2453 8.07962 -8.66229 9.11957 33.4647 TIMING: 4600400 CPU: 13816.2, 0.003018/step Wall: 13816.2, 0.003018/step, 0.334998 hours remaining, 209.492188 MB of memory in use. ENERGY: 4600400 726.2789 2141.7316 1978.4203 120.5970 -205940.1872 17610.1784 0.0000 0.0000 34108.2176 -149254.7635 297.8755 -183362.9810 -149160.5868 299.7094 -132.9647 -99.6527 557534.0793 2.8404 2.8134 PRESSURE: 4600600 326.789 -25.4895 -81.2579 -25.4892 -116.654 -36.8246 -81.2591 -36.8253 169.135 GPRESSURE: 4600600 343.543 37.4956 -87.2758 48.533 -5.37918 -118.222 -37.3534 -42.8005 141.755 PRESSAVG: 4600600 54.453 -25.0284 19.6644 -25.0284 1.53187 -6.49541 19.6644 -6.49542 -3.0113 GPRESSAVG: 4600600 57.0046 -26.3668 17.4246 -25.2946 -0.507732 -4.93874 21.2226 -8.47778 -3.16889 TIMING: 4600600 CPU: 13816.8, 0.00296732/step Wall: 13816.8, 0.00296732/step, 0.329207 hours remaining, 209.492188 MB of memory in use. ENERGY: 4600600 753.5537 2083.7579 1963.9247 123.2922 -206274.8603 18008.1042 0.0000 0.0000 34177.5138 -149164.7138 298.4807 -183342.2276 -149063.8522 299.2398 126.4233 159.9729 558178.4143 17.6579 17.7760 PRESSURE: 4600800 48.5632 32.0278 -98.2039 32.0277 210.453 -34.4935 -98.2039 -34.4937 100.801 GPRESSURE: 4600800 138.22 -3.17545 -105.779 69.082 186.797 -42.1879 -150.602 48.1322 124.059 PRESSAVG: 4600800 31.2589 48.3017 -6.48861 48.3017 -5.63685 1.86358 -6.48861 1.86354 -26.5535 GPRESSAVG: 4600800 30.0338 50.3422 -4.21473 48.9524 -4.80655 1.08516 -7.68562 1.90466 -25.8589 TIMING: 4600800 CPU: 13817.4, 0.00297948/step Wall: 13817.4, 0.00297948/step, 0.330391 hours remaining, 209.492188 MB of memory in use. ENERGY: 4600800 731.8474 2172.6442 1908.7268 116.6439 -206644.1630 18002.6241 0.0000 0.0000 34446.6475 -149265.0291 300.8311 -183711.6766 -149163.2424 298.9168 119.9390 149.6919 557028.9178 -0.3105 -0.2105 PRESSURE: 4601000 23.6436 32.2532 45.0073 32.2536 -172.682 58.8596 45.0073 58.8591 58.3326 GPRESSURE: 4601000 53.2866 65.4484 -56.7307 50.2655 -165.961 79.8292 84.6479 30.4711 117.959 PRESSAVG: 4601000 55.8037 47.0859 -2.99997 47.0859 -43.4915 32.255 -2.9999 32.2549 -45.4124 GPRESSAVG: 4601000 57.4896 47.9997 -5.3521 45.6189 -42.9889 31.6982 -1.51189 32.6942 -47.1963 TIMING: 4601000 CPU: 13818, 0.00297895/step Wall: 13818, 0.00297895/step, 0.330167 hours remaining, 209.492188 MB of memory in use. ENERGY: 4601000 757.2046 2115.8184 1912.9269 123.9616 -206030.1400 17679.9216 0.0000 0.0000 34031.8139 -149408.4930 297.2083 -183440.3070 -149314.7922 298.7972 -30.2351 1.7616 556419.6635 -11.0334 -10.8985 PRESSURE: 4601200 -12.4823 74.6891 -74.4773 74.6902 -106.487 74.2317 -74.4782 74.2314 14.9112 GPRESSURE: 4601200 10.6998 61.7605 -82.2288 160.551 -66.2602 150.656 -57.3925 42.3879 51.1932 PRESSAVG: 4601200 -9.9269 48.6266 -0.167251 48.6266 -64.7032 -5.99867 -0.167348 -5.99872 65.5025 GPRESSAVG: 4601200 -10.6829 45.3749 0.332295 51.1231 -64.732 -6.11089 -1.02009 -6.47005 66.0895 TIMING: 4601200 CPU: 13818.6, 0.00297766/step Wall: 13818.6, 0.00297766/step, 0.329858 hours remaining, 209.492188 MB of memory in use. ENERGY: 4601200 757.5165 2041.7234 1931.4650 115.6542 -206091.6370 17751.9018 0.0000 0.0000 34106.2909 -149387.0853 297.8587 -183493.3761 -149288.4851 298.7796 -34.6860 -1.4558 555806.9980 -3.0425 -3.1085 PRESSURE: 4601400 64.8902 -213.558 -101.513 -213.558 -89.7697 -61.3333 -101.514 -61.3307 -158.263 GPRESSURE: 4601400 81.483 -193.269 -57.0319 -142.038 -85.9167 75.239 -48.1629 -67.1501 -86.8717 PRESSAVG: 4601400 8.61441 -44.9973 -15.7893 -44.9973 -24.1722 -12.0401 -15.7893 -12.0399 21.2696 GPRESSAVG: 4601400 8.36001 -43.8584 -15.7786 -45.3514 -24.2132 -11.5662 -15.7672 -12.0505 21.3174 TIMING: 4601400 CPU: 13819.2, 0.0030057/step Wall: 13819.2, 0.0030057/step, 0.332798 hours remaining, 209.601562 MB of memory in use. ENERGY: 4601400 747.6698 2102.8837 1909.4956 110.6225 -206010.4892 17595.7730 0.0000 0.0000 34115.2927 -149428.7519 297.9373 -183544.0446 -149332.9874 298.7737 -61.0474 -30.4352 556587.2850 1.9039 1.8214 PRESSURE: 4601600 135.677 -163.474 110.342 -163.474 -13.541 144.032 110.343 144.033 128.89 GPRESSURE: 4601600 237.585 -120.913 117.146 -74.1679 -49.0461 154.186 85.3611 56.3713 151.81 PRESSAVG: 4601600 27.3507 -27.5826 45.7679 -27.5827 -48.8186 -21.2872 45.768 -21.2871 26.8786 GPRESSAVG: 4601600 27.6516 -26.8381 46.1439 -27.7811 -49.508 -20.4274 48.3844 -23.4905 26.9508 TIMING: 4601600 CPU: 13819.8, 0.00298519/step Wall: 13819.8, 0.00298519/step, 0.330361 hours remaining, 209.601562 MB of memory in use. ENERGY: 4601600 726.5701 2052.7072 1928.2269 109.7788 -206439.8570 17868.9787 0.0000 0.0000 34257.2326 -149496.3627 299.1769 -183753.5953 -149399.6151 298.5246 83.6753 113.4497 556246.9896 1.8036 1.6981 PRESSURE: 4601800 -210.272 66.2958 36.8379 66.2967 -96.9793 75.9446 36.8379 75.9456 -156.018 GPRESSURE: 4601800 -182.133 2.98071 56.9903 78.0695 -100.855 20.186 -46.02 91.5676 -86.2944 PRESSAVG: 4601800 26.8796 -58.3079 23.165 -58.3079 -16.7997 -8.12732 23.1651 -8.1274 10.5609 GPRESSAVG: 4601800 26.0906 -57.4181 23.8644 -59.8223 -17.006 -9.9703 19.8041 -4.56889 11.3314 TIMING: 4601800 CPU: 13820.4, 0.00297156/step Wall: 13820.4, 0.00297156/step, 0.328687 hours remaining, 209.671875 MB of memory in use. ENERGY: 4601800 767.5609 2078.0766 1936.6003 112.2515 -206082.1950 17569.0615 0.0000 0.0000 34344.9730 -149273.6712 299.9432 -183618.6442 -149176.3708 299.0610 -154.4233 -123.0942 557902.4283 6.8802 6.8053 PRESSURE: 4602000 -11.2492 -199.383 -24.7133 -199.384 22.626 77.301 -24.7139 77.3004 75.6328 GPRESSURE: 4602000 -14 -168.706 53.4914 -194.088 52.2924 111.796 -42.813 81.7483 143.731 PRESSAVG: 4602000 20.8004 -17.9127 24.2423 -17.9127 -16.9926 12.7487 24.2423 12.7487 3.86692 GPRESSAVG: 4602000 21.4441 -19.198 25.6364 -15.6508 -16.8177 14.9623 23.7477 10.9596 3.48527 TIMING: 4602000 CPU: 13821, 0.00297778/step Wall: 13821, 0.00297778/step, 0.32921 hours remaining, 209.671875 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: 4602000 705.7022 2146.1106 1938.7295 113.7671 -206405.7981 17691.9398 0.0000 0.0000 34427.3797 -149382.1692 300.6629 -183809.5489 -149293.1622 299.3154 29.0032 60.6745 555929.4477 2.5582 2.7039 PRESSURE: 4602200 -40.5631 115.79 -44.1657 115.792 37.177 -3.09382 -44.1652 -3.09437 8.52984 GPRESSURE: 4602200 -17.591 192.465 -83.061 84.1539 73.8334 -32.0079 0.0571229 -3.02297 41.775 PRESSAVG: 4602200 35.9032 24.7985 13.3165 24.7985 -3.06765 -54.471 13.3166 -54.471 -39.3253 GPRESSAVG: 4602200 34.577 22.9225 9.12314 25.0288 -3.45967 -54.8107 17.301 -54.1434 -38.0785 TIMING: 4602200 CPU: 13821.6, 0.00304701/step Wall: 13821.6, 0.00304701/step, 0.336694 hours remaining, 209.671875 MB of memory in use. ENERGY: 4602200 770.3082 2079.5605 1927.6415 112.3019 -206396.0631 17952.4819 0.0000 0.0000 34207.3568 -149346.4123 298.7414 -183553.7692 -149250.5925 299.1490 1.7146 32.6725 557387.5955 -2.1633 -2.3204 PRESSURE: 4602400 212.721 23.5487 6.7591 23.5486 -128.665 -211.515 6.75894 -211.517 58.3532 GPRESSURE: 4602400 210.222 43.2765 16.2693 69.7144 -65.0541 -73.7749 5.96644 -185.723 91.1261 PRESSAVG: 4602400 41.2447 1.06641 -7.30212 1.06638 -8.80608 -19.3447 -7.30206 -19.3447 -25.6634 GPRESSAVG: 4602400 42.4761 2.39643 -4.22275 1.54498 -6.96689 -18.6354 -12.0879 -19.3661 -29.3234 TIMING: 4602400 CPU: 13822.2, 0.0030461/step Wall: 13822.2, 0.0030461/step, 0.336424 hours remaining, 209.671875 MB of memory in use. ENERGY: 4602400 792.6026 2086.3078 1912.4659 117.6222 -206743.2506 17994.1483 0.0000 0.0000 34332.2310 -149507.8728 299.8319 -183840.1038 -149414.6591 298.5777 47.4699 78.7646 554201.6832 2.2584 2.0619 PRESSURE: 4602600 -18.3978 44.1064 83.0026 44.1071 -167.646 -57.6794 83.0019 -57.6795 -60.8909 GPRESSURE: 4602600 22.9259 65.5429 93.7565 92.1062 -142.02 -55.9483 87.3577 -7.13687 -34.288 PRESSAVG: 4602600 43.8311 48.4779 7.61643 48.4779 -8.15551 12.2181 7.61637 12.2181 -24.0603 GPRESSAVG: 4602600 43.8082 50.5604 5.40188 46.0012 -10.3744 13.8851 8.85982 12.325 -22.1581 TIMING: 4602600 CPU: 13822.8, 0.00297603/step Wall: 13822.8, 0.00297603/step, 0.328521 hours remaining, 209.671875 MB of memory in use. ENERGY: 4602600 754.5036 2056.8143 1942.0452 105.0183 -206187.3762 17774.6552 0.0000 0.0000 34113.2804 -149441.0591 297.9198 -183554.3395 -149342.4377 298.6626 -82.3117 -51.1275 556407.3096 3.8718 3.7586 PRESSURE: 4602800 152.599 -33.8596 -55.6503 -33.8598 81.7938 291.305 -55.6508 291.304 -207.4 GPRESSURE: 4602800 211.812 12.8403 -111.64 -95.5191 76.7844 210.94 28.9207 283.999 -153.971 PRESSAVG: 4602800 4.17601 -13.055 37.2431 -13.0551 -3.7596 -16.5861 37.243 -16.5863 -3.10372 GPRESSAVG: 4602800 3.72217 -15.7858 39.9904 -12.2636 -3.07203 -18.2086 39.0927 -15.7232 -2.44882 TIMING: 4602800 CPU: 13823.4, 0.00294002/step Wall: 13823.4, 0.00294002/step, 0.324382 hours remaining, 209.671875 MB of memory in use. ENERGY: 4602800 691.2422 2126.4687 1920.3648 120.1174 -206305.2469 17739.2108 0.0000 0.0000 34357.1925 -149350.6505 300.0499 -183707.8430 -149260.1275 298.8456 8.9976 44.8751 557193.0796 -0.8958 -0.5996 PRESSURE: 4603000 -68.3063 139.483 74.1181 139.483 -190.133 -104.807 74.1178 -104.806 -236.424 GPRESSURE: 4603000 -8.80178 154.759 73.1251 240.752 -208.97 -106.096 89.3195 -79.8578 -186.282 PRESSAVG: 4603000 51.2493 -2.72384 19.274 -2.7238 -14.1664 -20.4965 19.2739 -20.4965 -60.3869 GPRESSAVG: 4603000 51.319 -1.74407 17.077 -4.53264 -14.269 -22.5489 19.7106 -20.5419 -60.7308 TIMING: 4603000 CPU: 13824, 0.00295636/step Wall: 13824, 0.00295636/step, 0.326021 hours remaining, 209.671875 MB of memory in use. ENERGY: 4603000 745.1469 2061.9396 1902.6416 108.3833 -205784.0342 17250.8912 0.0000 0.0000 34338.8331 -149376.1986 299.8896 -183715.0317 -149278.6743 299.2446 -164.9545 -134.6844 556077.2847 -7.7680 -7.8936 PRESSURE: 4603200 -135.227 152.986 119.501 152.986 -15.2441 14.0672 119.501 14.0672 -236.711 GPRESSURE: 4603200 -104.244 166.668 144.81 160.788 -33.896 58.0384 100.756 50.7527 -156.861 PRESSAVG: 4603200 16.0134 -2.86734 -33.8962 -2.86735 -35.8096 -11.392 -33.8963 -11.392 -3.80878 GPRESSAVG: 4603200 16.7191 -3.94432 -32.1754 -0.0167629 -35.7294 -8.624 -35.8006 -13.4077 -4.41225 TIMING: 4603200 CPU: 13824.6, 0.00297878/step Wall: 13824.6, 0.00297878/step, 0.328327 hours remaining, 209.671875 MB of memory in use. ENERGY: 4603200 747.7290 2039.8335 1906.5455 114.3618 -205953.5016 17591.4349 0.0000 0.0000 34037.8628 -149515.7341 297.2611 -183553.5969 -149419.6845 298.4398 -129.0607 -98.3335 558028.8489 -7.8683 -7.8075 PRESSURE: 4603400 -239.125 42.9594 -103.758 42.9606 -435.876 52.4762 -103.757 52.4768 -184.94 GPRESSURE: 4603400 -216.683 -42.3684 -172.953 10.356 -366.304 63.1541 -79.3763 89.6007 -180.679 PRESSAVG: 4603400 -44.0795 4.64306 19.3831 4.64313 22.4202 -13.4243 19.3831 -13.4243 -11.214 GPRESSAVG: 4603400 -45.3463 4.29151 18.0512 4.08185 22.1806 -15.3458 18.6886 -10.3918 -10.1323 TIMING: 4603400 CPU: 13825.2, 0.00296402/step Wall: 13825.2, 0.00296402/step, 0.326536 hours remaining, 209.671875 MB of memory in use. ENERGY: 4603400 778.4030 2100.7009 1906.9758 105.6896 -205853.3803 17574.4017 0.0000 0.0000 33890.0732 -149497.1362 295.9704 -183387.2095 -149399.1511 297.9391 -286.6468 -254.5553 557759.8904 -10.9577 -11.0993 PRESSURE: 4603600 -92.6903 -57.9836 -165.816 -57.9842 179.75 39.237 -165.818 39.2378 36.3398 GPRESSURE: 4603600 -47.8328 -78.6336 -208.171 -77.3862 192.244 68.5074 -101.642 -105.587 64.2421 PRESSAVG: 4603600 6.16222 -44.4767 49.8001 -44.4766 -0.822807 26.6522 49.7999 26.6522 -15.8195 GPRESSAVG: 4603600 7.96539 -43.4943 50.3487 -45.4331 -0.923249 28.8582 50.6808 23.8244 -17.3158 TIMING: 4603600 CPU: 13825.8, 0.0030092/step Wall: 13825.8, 0.0030092/step, 0.331346 hours remaining, 209.671875 MB of memory in use. ENERGY: 4603600 742.7607 2120.4551 1949.2651 119.6336 -206255.0491 17849.7435 0.0000 0.0000 34067.3076 -149405.8834 297.5183 -183473.1910 -149315.9211 298.3533 41.1333 69.5510 557813.9693 -3.4934 -3.4246 PRESSURE: 4603800 4.39679 -57.9014 76.4228 -57.9024 -50.4527 -128.495 76.4239 -128.496 -85.2061 GPRESSURE: 4603800 50.2112 -161.583 76.8653 4.6248 -26.1077 -94.1199 3.12649 -125.653 -46.9286 PRESSAVG: 4603800 -7.2135 14.7102 5.0707 14.7102 -12.2965 25.6219 5.07075 25.622 -6.37859 GPRESSAVG: 4603800 -7.92791 14.8361 4.71213 15.5555 -10.2998 23.4083 6.77698 25.8217 -6.41593 TIMING: 4603800 CPU: 13826.4, 0.00298682/step Wall: 13826.4, 0.00298682/step, 0.328717 hours remaining, 209.671875 MB of memory in use. ENERGY: 4603800 706.0505 2112.2073 1926.9994 112.9297 -206284.0937 17825.4814 0.0000 0.0000 34370.7693 -149229.6561 300.1685 -183600.4254 -149137.4155 299.5373 -43.7540 -7.6083 557249.5862 -8.6295 -8.2145 PRESSURE: 4604000 306.277 -20.1497 -112.845 -20.1504 -36.5678 -80.8182 -112.844 -80.8177 83.5769 GPRESSURE: 4604000 314.102 -52.859 -92.6843 27.0689 50.8044 -19.5034 -181.623 -163.474 88.05 PRESSAVG: 4604000 -0.0946564 -26.211 5.66439 -26.211 11.0697 -9.18281 5.66445 -9.18282 -13.8098 GPRESSAVG: 4604000 0.26109 -24.8575 6.53015 -28.1583 10.1713 -7.22464 5.30079 -9.50531 -12.9732 TIMING: 4604000 CPU: 13827, 0.00297558/step Wall: 13827, 0.00297558/step, 0.327313 hours remaining, 209.671875 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: 4604000 744.8209 2008.0736 1952.3647 119.4438 -206014.5323 17844.2649 0.0000 0.0000 34098.1800 -149247.3844 297.7879 -183345.5644 -149153.7403 298.7537 117.7622 150.9854 556437.5569 -0.9449 -0.8469 PRESSURE: 4604200 -78.7303 -67.6717 74.4494 -67.6718 272.143 72.7886 74.4496 72.7885 -13.9723 GPRESSURE: 4604200 -42.7129 -38.4099 133.868 -135.058 241.312 81.58 -23.4924 132.493 90.9223 PRESSAVG: 4604200 -4.65035 16.9792 25.3414 16.9792 17.2116 50.6465 25.3414 50.6467 -12.2715 GPRESSAVG: 4604200 -5.14573 16.5291 23.6539 18.1975 16.2162 50.1851 25.2627 50.2217 -11.1697 TIMING: 4604200 CPU: 13827.6, 0.00301359/step Wall: 13827.6, 0.00301359/step, 0.331327 hours remaining, 209.671875 MB of memory in use. ENERGY: 4604200 716.8830 2077.3845 1926.4146 121.2055 -205833.3865 17681.5565 0.0000 0.0000 34190.8463 -149119.0960 298.5972 -183309.9423 -149021.6888 298.7277 59.8134 96.5072 556525.7520 0.0966 -0.0331 LDB: ============= START OF LOAD BALANCING ============== 13831.1 LDB: ============== END OF LOAD BALANCING =============== 13831.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13831.1 LDB: ============= START OF LOAD BALANCING ============== 13831.4 LDB: Largest compute 4796 load 0.027211 is 23.0% of average load 0.118171 LDB: Average compute 0.001732 is 1.5% of average load 0.118171 LDB: TIME 13831.4 LOAD: AVG 0.118171 MAX 0.206528 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.293 MB LDB: TIME 13831.4 LOAD: AVG 0.118171 MAX 0.206528 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.293 MB LDB: TIME 13831.4 LOAD: AVG 0.118171 MAX 0.206528 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.293 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13831.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13831.4 PRESSURE: 4604400 -14.2826 0.826095 -133.378 0.825755 38.1103 172.963 -133.377 172.964 -82.4695 GPRESSURE: 4604400 40.4392 -45.4762 -160 -11.9376 33.9572 163.989 -176.553 126.245 -39.7543 PRESSAVG: 4604400 -35.1302 7.55688 -4.81268 7.55692 55.6952 26.3948 -4.81275 26.395 16.2274 GPRESSAVG: 4604400 -34.3801 4.98106 -3.67255 7.78782 55.4207 26.8823 -5.55334 25.8247 14.9346 TIMING: 4604400 CPU: 13828.2, 0.00303426/step Wall: 13828.2, 0.00303426/step, 0.333431 hours remaining, 210.003906 MB of memory in use. ENERGY: 4604400 756.9034 2151.1384 1913.3097 116.0210 -205802.7443 17559.9401 0.0000 0.0000 34248.1609 -149057.2710 299.0977 -183305.4319 -148961.0836 300.7472 -19.5473 11.5474 556429.1598 12.2641 11.9917 PRESSURE: 4604600 41.623 -53.7664 96.9131 -53.7659 164.136 58.7809 96.9128 58.7812 -151.859 GPRESSURE: 4604600 11.6352 -47.7858 144.264 -34.4983 204.545 38.2504 156.323 25.2309 -55.2643 PRESSAVG: 4604600 -7.91619 -20.1407 -11.6073 -20.1406 21.0619 -16.0929 -11.6074 -16.0929 -21.2433 GPRESSAVG: 4604600 -7.86138 -17.3007 -13.106 -19.0491 21.8337 -17.4882 -10.7982 -15.0998 -21.7634 TIMING: 4604600 CPU: 13828.8, 0.00296452/step Wall: 13828.8, 0.00296452/step, 0.325603 hours remaining, 210.003906 MB of memory in use. ENERGY: 4604600 770.7471 2198.7206 1909.9944 126.3270 -206645.6287 17965.7077 0.0000 0.0000 34502.2937 -149171.8382 301.3171 -183674.1319 -149076.5541 300.4531 17.9669 53.6386 556010.4038 -2.6992 -2.5970 PRESSURE: 4604800 -121.585 61.0591 -16.5065 61.0587 55.5807 1.13383 -16.5065 1.13408 -24.6834 GPRESSURE: 4604800 -67.155 57.8042 -79.2254 93.2556 84.5355 46.353 82.6279 6.72197 1.36519 PRESSAVG: 4604800 -27.5034 7.84588 -24.9257 7.84583 49.6124 -4.52618 -24.9258 -4.52624 -23.8774 GPRESSAVG: 4604800 -27.3071 5.86267 -21.4279 6.22819 49.0812 -2.15008 -24.1253 -4.83736 -23.255 TIMING: 4604800 CPU: 13829.4, 0.00298281/step Wall: 13829.4, 0.00298281/step, 0.327447 hours remaining, 210.003906 MB of memory in use. ENERGY: 4604800 729.0855 2077.2832 1925.3337 112.5971 -206070.8786 17712.1777 0.0000 0.0000 34328.7079 -149185.6934 299.8011 -183514.4014 -149086.8834 299.7993 -30.2294 6.2486 558284.0524 -0.5895 -0.4936 PRESSURE: 4605000 -38.111 77.1324 -0.635753 77.1314 -94.4321 -112.245 -0.635737 -112.246 195.859 GPRESSURE: 4605000 35.3811 106.869 -19.8241 127.952 -62.9751 -111.169 91.7052 -178.708 205.989 PRESSAVG: 4605000 -9.91914 24.6752 0.776623 24.6752 -28.6047 58.8857 0.776602 58.8858 64.3296 GPRESSAVG: 4605000 -10.5159 25.8039 -1.53823 26.5823 -28.0636 56.0482 -1.06182 60.0982 64.505 TIMING: 4605000 CPU: 13830, 0.00294308/step Wall: 13830, 0.00294308/step, 0.322921 hours remaining, 210.003906 MB of memory in use. ENERGY: 4605000 730.4329 2094.1645 1923.3084 106.3041 -206204.9759 17841.8580 0.0000 0.0000 34338.1835 -149170.7245 299.8839 -183508.9080 -149076.2602 299.9933 21.1053 59.4651 557851.5207 8.6019 8.6418 PRESSURE: 4605200 145.431 22.3447 -23.8582 22.3449 166.84 30.6479 -23.8577 30.6485 81.5558 GPRESSURE: 4605200 169.062 -81.8937 50.1035 48.9059 220.104 -20.8907 13.6486 -76.6023 101.012 PRESSAVG: 4605200 -48.6327 -14.6742 58.4529 -14.6741 23.5442 -3.70812 58.4529 -3.70808 8.17059 GPRESSAVG: 4605200 -49.3824 -15.0105 59.3098 -15.6579 24.5441 -3.82083 59.3839 -3.59071 8.27881 TIMING: 4605200 CPU: 13830.5, 0.00294879/step Wall: 13830.5, 0.00294879/step, 0.323384 hours remaining, 210.003906 MB of memory in use. ENERGY: 4605200 744.4259 2102.7019 1932.4278 110.5087 -206366.6135 17897.1466 0.0000 0.0000 34259.7789 -149319.6237 299.1992 -183579.4027 -149221.3726 299.5460 131.2755 163.3927 556349.4862 -5.6393 -5.5198 PRESSURE: 4605400 -42.5883 -132.028 47.2394 -132.027 -369.95 7.65888 47.2399 7.65978 -204.313 GPRESSURE: 4605400 -1.02828 -146.459 136.114 -105.095 -396.017 88.2083 25.3377 23.9683 -130.048 PRESSAVG: 4605400 132.694 -4.49406 33.2967 -4.49388 -45.3574 -7.54469 33.2967 -7.54478 -71.4984 GPRESSAVG: 4605400 133.645 -3.53655 33.6119 -5.79473 -47.2133 -6.51265 29.9267 -10.1159 -70.5731 TIMING: 4605400 CPU: 13831.1, 0.00297503/step Wall: 13831.1, 0.00297503/step, 0.326097 hours remaining, 210.003906 MB of memory in use. ENERGY: 4605400 756.4118 2087.3390 1929.6003 105.3025 -206087.6798 17674.6279 0.0000 0.0000 34200.8273 -149333.5709 298.6843 -183534.3983 -149240.3290 299.5632 -205.6171 -175.6977 557789.1487 5.2795 5.2862 PRESSURE: 4605600 -67.0788 43.1325 -101.501 43.1322 -71.5949 -125.464 -101.5 -125.465 -107.483 GPRESSURE: 4605600 25.0475 133.457 -144.877 -6.57821 -60.8164 -139.083 -37.2688 -131.718 -117.949 PRESSAVG: 4605600 14.4332 22.0808 -22.9616 22.0808 -24.5021 -18.0121 -22.9614 -18.0121 26.1157 GPRESSAVG: 4605600 12.8004 21.1443 -23.1416 22.4315 -23.767 -18.9005 -19.4663 -16.25 26.6684 TIMING: 4605600 CPU: 13831.7, 0.00298176/step Wall: 13831.7, 0.00298176/step, 0.326668 hours remaining, 210.003906 MB of memory in use. ENERGY: 4605600 798.4461 2105.1201 1952.5577 110.7910 -206277.0933 17824.4023 0.0000 0.0000 34255.0393 -149230.7367 299.1578 -183485.7761 -149132.9399 299.6076 -82.0521 -51.2394 556834.4994 5.3489 5.2339 PRESSURE: 4605800 -22.4823 -91.2277 104.159 -91.2263 -137.692 246.115 104.158 246.113 -256.05 GPRESSURE: 4605800 -10.703 -97.0548 121.125 -138.284 -111.086 247.633 47.9401 198.072 -193.819 PRESSAVG: 4605800 -3.39049 -25.8655 -51.0829 -25.8655 23.105 29.7526 -51.0829 29.7527 -17.2698 GPRESSAVG: 4605800 -3.3858 -24.0191 -51.392 -25.1148 23.3173 31.2152 -51.0059 29.7317 -17.7853 TIMING: 4605800 CPU: 13832.3, 0.00300459/step Wall: 13832.3, 0.00300459/step, 0.329002 hours remaining, 210.003906 MB of memory in use. ENERGY: 4605800 782.7058 2049.8090 1946.2341 109.0283 -205720.6798 17482.3558 0.0000 0.0000 34172.9760 -149177.5707 298.4411 -183350.5467 -149078.5438 299.2199 -138.7413 -105.2025 557036.0503 0.8149 0.7154 PRESSURE: 4606000 88.0041 156.803 55.8448 156.803 140.034 122.815 55.8446 122.815 -100.338 GPRESSURE: 4606000 131.852 82.9453 55.7273 57.3461 150.045 130.026 -7.23579 -8.68378 -54.5454 PRESSAVG: 4606000 18.676 -36.0082 7.22469 -36.0082 -31.5218 -10.0864 7.22451 -10.0864 7.25663 GPRESSAVG: 4606000 20.1275 -38.2775 4.69312 -35.6659 -32.9702 -10.1589 6.9878 -11.9218 7.31506 TIMING: 4606000 CPU: 13832.9, 0.00300625/step Wall: 13832.9, 0.00300625/step, 0.329017 hours remaining, 210.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4606000 754.5448 2124.0811 1966.4329 110.9541 -206153.8631 17840.7015 0.0000 0.0000 34362.3149 -148994.8339 300.0946 -183357.1488 -148899.3447 299.9491 42.5665 75.7841 555585.3679 -1.8630 -1.8426 PRESSURE: 4606200 176.793 157.579 -25.3653 157.58 -281.637 -57.7098 -25.3661 -57.711 -28.5706 GPRESSURE: 4606200 166.356 120.774 59.7566 188.305 -198.216 -28.7335 -61.4108 -101.478 -18.8436 PRESSAVG: 4606200 38.7473 30.5217 66.2776 30.5217 -46.5333 7.73616 66.2775 7.73601 0.0905622 GPRESSAVG: 4606200 38.4004 30.5736 66.0981 30.6498 -45.8891 7.68382 66.6976 8.04377 -0.382296 TIMING: 4606200 CPU: 13833.5, 0.00300353/step Wall: 13833.5, 0.00300353/step, 0.328553 hours remaining, 210.003906 MB of memory in use. ENERGY: 4606200 678.6916 2059.9828 1932.4037 119.2689 -205988.8388 17580.1837 0.0000 0.0000 34476.7464 -149141.5618 301.0940 -183618.3081 -149035.2038 299.7757 -44.4718 -16.9013 558062.6457 -2.5652 -2.6237 PRESSURE: 4606400 228.715 27.4065 71.4627 27.4064 -17.4858 5.80211 71.4631 5.80156 199.161 GPRESSURE: 4606400 190.693 106.828 107.1 54.5616 52.5896 84.9004 -1.60497 64.9827 261.62 PRESSAVG: 4606400 -42.1928 3.65205 -2.93506 3.65205 39.0368 -16.9041 -2.93502 -16.9043 -6.96776 GPRESSAVG: 4606400 -42.6751 5.12606 -1.14183 2.84722 39.4427 -15.7682 -1.02115 -15.9302 -6.62575 TIMING: 4606400 CPU: 13834.1, 0.00299492/step Wall: 13834.1, 0.00299492/step, 0.327445 hours remaining, 210.003906 MB of memory in use. ENERGY: 4606400 736.5664 2060.8798 1939.4104 113.2837 -206409.7572 18046.4412 0.0000 0.0000 34146.9775 -149366.1982 298.2140 -183513.1757 -149265.1376 299.1430 136.7969 168.3006 558011.1951 -3.3746 -3.2860 PRESSURE: 4606600 -31.7906 -91.045 -83.5387 -91.045 219.241 -2.66162 -83.539 -2.65951 63.3772 GPRESSURE: 4606600 70.6613 -7.68221 -92.0734 -95.6902 218.397 51.1896 -15.2296 -130.116 57.7155 PRESSAVG: 4606600 4.01818 -4.65171 -9.1315 -4.65174 -17.5807 32.4173 -9.13159 32.4174 14.5624 GPRESSAVG: 4606600 3.26285 -6.52962 -9.58221 -3.67597 -16.5594 30.5649 -12.0819 33.1522 13.9806 TIMING: 4606600 CPU: 13834.7, 0.00299385/step Wall: 13834.7, 0.00299385/step, 0.327161 hours remaining, 210.003906 MB of memory in use. ENERGY: 4606600 745.9484 2105.9006 1946.3190 97.7369 -206446.0652 18028.5323 0.0000 0.0000 34207.5232 -149314.1049 298.7428 -183521.6281 -149217.5460 299.3514 83.6093 115.5914 557828.7035 0.3333 0.2280 PRESSURE: 4606800 -168.966 -5.52809 45.0213 -5.52763 -150.945 -24.5588 45.0221 -24.5592 166.156 GPRESSURE: 4606800 -86.8253 19.57 24.4444 -53.0186 -160.941 -29.9189 58.5528 14.6824 191.671 PRESSAVG: 4606800 -75.4678 46.2049 20.0652 46.2049 -10.7213 15.2006 20.0652 15.2007 78.5223 GPRESSAVG: 4606800 -74.7361 47.8246 19.806 44.5399 -11.728 14.8624 20.1968 15.884 78.8984 TIMING: 4606800 CPU: 13835.3, 0.00297463/step Wall: 13835.3, 0.00297463/step, 0.324896 hours remaining, 210.003906 MB of memory in use. ENERGY: 4606800 753.4674 2021.5822 1924.2860 121.6495 -206115.7278 17727.3707 0.0000 0.0000 34247.7510 -149319.6209 299.0941 -183567.3720 -149222.2266 299.7092 -51.2517 -18.6985 558215.4589 -2.5556 -2.5219 PRESSURE: 4607000 -349.846 -68.9485 21.0668 -68.9481 -447.74 144.901 21.0677 144.901 127.33 GPRESSURE: 4607000 -331.2 -121.124 -21.3619 -92.2091 -368.716 131.491 -33.2829 97.9108 123.359 PRESSAVG: 4607000 17.6096 -1.30822 -7.73869 -1.30818 -46.8512 13.1992 -7.73865 13.1992 -41.752 GPRESSAVG: 4607000 19.0828 -4.77425 -7.33392 1.09672 -48.6412 13.9609 -6.54526 10.6483 -42.0641 TIMING: 4607000 CPU: 13835.9, 0.00297706/step Wall: 13835.9, 0.00297706/step, 0.324996 hours remaining, 210.003906 MB of memory in use. ENERGY: 4607000 748.3222 2090.0660 1951.9901 104.8483 -206022.1728 17587.4162 0.0000 0.0000 34079.6878 -149459.8421 297.6264 -183539.5299 -149362.3010 299.0190 -223.4186 -192.1858 558707.7693 -23.6645 -23.8742 PRESSURE: 4607200 -184.422 152.361 -145.68 152.36 -453.995 32.2305 -145.681 32.2301 -58.281 GPRESSURE: 4607200 -152.621 172.675 -162.922 159.623 -432.532 39.6254 -68.3516 44.946 -12.3728 PRESSAVG: 4607200 71.7586 50.3667 -34.6017 50.3667 -59.6017 10.2748 -34.6017 10.2747 26.3404 GPRESSAVG: 4607200 70.5285 52.5342 -35.1196 47.8893 -56.8578 9.7152 -35.2998 11.6015 24.8204 TIMING: 4607200 CPU: 13836.5, 0.00300998/step Wall: 13836.5, 0.00300998/step, 0.328422 hours remaining, 210.003906 MB of memory in use. ENERGY: 4607200 763.6376 2117.0780 1930.6427 106.5197 -206177.8873 17500.1541 0.0000 0.0000 34361.7790 -149398.0761 300.0900 -183759.8551 -149303.5649 299.8204 -232.2329 -199.1752 557980.0503 12.8324 12.8304 PRESSURE: 4607400 -107.439 -43.1481 -55.5161 -43.1464 -56.4334 -104.369 -55.5159 -104.368 -94.5955 GPRESSURE: 4607400 -32.8033 -51.4604 2.86838 1.59312 0.734957 -63.3916 -45.5481 -151.317 -123.758 PRESSAVG: 4607400 11.8111 5.68485 -33.4074 5.68492 -46.8605 19.1188 -33.4074 19.1188 13.698 GPRESSAVG: 4607400 12.468 5.8961 -34.2456 6.40278 -49.5574 17.0527 -33.3496 19.079 15.5597 TIMING: 4607400 CPU: 13837.1, 0.00298286/step Wall: 13837.1, 0.00298286/step, 0.325298 hours remaining, 210.003906 MB of memory in use. ENERGY: 4607400 767.8124 2111.7592 1921.6981 107.2233 -206062.3281 17791.2750 0.0000 0.0000 34147.5031 -149215.0569 298.2186 -183362.5600 -149121.5363 299.7931 -86.1560 -51.9419 558687.5810 -7.1171 -7.1766 PRESSURE: 4607600 130.752 -144.224 18.5558 -144.225 112.761 86.8741 18.5556 86.8752 190.152 GPRESSURE: 4607600 168.926 -190.314 15.7492 -113.15 157.595 204.052 -57.2681 35.114 209.466 PRESSAVG: 4607600 42.606 -24.6715 19.1558 -24.6716 -11.2561 -36.0155 19.1558 -36.0155 -18.6618 GPRESSAVG: 4607600 42.6175 -26.0279 19.83 -23.4934 -10.0368 -35.2469 17.8728 -35.7732 -19.7008 TIMING: 4607600 CPU: 13837.7, 0.00297445/step Wall: 13837.7, 0.00297445/step, 0.324215 hours remaining, 210.003906 MB of memory in use. ENERGY: 4607600 746.3451 2162.4684 1923.3213 108.6590 -206544.8896 18119.6403 0.0000 0.0000 34344.6599 -149139.7957 299.9405 -183484.4556 -149040.0492 299.8043 144.5550 178.6622 557540.7960 4.2294 4.2933 PRESSURE: 4607800 -66.3259 -164.295 -168.552 -164.294 68.0296 -141.25 -168.552 -141.25 -172.965 GPRESSURE: 4607800 -44.0284 -150.288 -209.269 -71.2777 147.757 -142.104 -192.761 -110.884 -177.177 PRESSAVG: 4607800 32.3609 -10.1357 -21.1958 -10.1357 -15.3297 -33.6471 -21.1957 -33.6471 -27.2533 GPRESSAVG: 4607800 31.8015 -8.96258 -20.6515 -11.0404 -15.9071 -34.1911 -22.6738 -33.1552 -26.3727 TIMING: 4607800 CPU: 13838.3, 0.0029498/step Wall: 13838.3, 0.0029498/step, 0.321364 hours remaining, 210.003906 MB of memory in use. ENERGY: 4607800 724.7978 2103.1236 1948.5837 112.1532 -206145.2266 17727.1576 0.0000 0.0000 34255.3785 -149274.0323 299.1607 -183529.4108 -149180.0691 299.4418 -57.0872 -24.4829 558441.9107 -3.4073 -3.4928 PRESSURE: 4608000 -139.57 11.1495 104.399 11.1492 -188.455 -109.929 104.399 -109.93 -182.769 GPRESSURE: 4608000 -90.4871 -29.8661 88.3286 -4.46542 -169.799 -42.0858 189.269 -136.778 -158.932 PRESSAVG: 4608000 3.5081 -37.1355 36.5064 -37.1357 -18.0121 -73.0849 36.5065 -73.0851 14.9431 GPRESSAVG: 4608000 3.51487 -37.6056 35.2357 -35.5343 -18.7369 -72.1417 38.1748 -73.408 15.3116 TIMING: 4608000 CPU: 13838.9, 0.00297233/step Wall: 13838.9, 0.00297233/step, 0.323654 hours remaining, 210.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4608000 808.5744 2097.1427 1941.8325 108.4537 -206167.5287 17707.0413 0.0000 0.0000 34370.1210 -149134.3632 300.1628 -183504.4841 -149029.8912 299.6626 -170.2648 -139.7396 556652.8001 0.1464 0.0299 PRESSURE: 4608200 19.2537 -51.2883 108.718 -51.2892 -75.3934 -144.305 108.718 -144.304 132.925 GPRESSURE: 4608200 1.00808 29.8736 124.905 -94.7141 -33.8551 -82.574 32.4887 -84.9589 212.09 PRESSAVG: 4608200 -7.69633 -8.07331 34.5428 -8.07338 10.0529 -60.8785 34.5429 -60.8785 47.8949 GPRESSAVG: 4608200 -6.66002 -8.50131 33.8394 -9.81026 9.62796 -61.9108 33.1915 -60.477 47.72 TIMING: 4608200 CPU: 13839.5, 0.00296879/step Wall: 13839.5, 0.00296879/step, 0.323104 hours remaining, 210.003906 MB of memory in use. ENERGY: 4608200 747.1302 2094.9556 1912.5378 109.0444 -206080.9929 17699.0592 0.0000 0.0000 34392.7795 -149125.4863 300.3607 -183518.2657 -149016.1598 300.0145 25.5951 59.7475 555894.2216 16.7505 16.8960 LDB: ============= START OF LOAD BALANCING ============== 13843 LDB: ============== END OF LOAD BALANCING =============== 13843 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13843 LDB: ============= START OF LOAD BALANCING ============== 13843.3 LDB: Largest compute 4796 load 0.027333 is 23.1% of average load 0.118207 LDB: Average compute 0.001733 is 1.5% of average load 0.118207 LDB: TIME 13843.3 LOAD: AVG 0.118207 MAX 0.210054 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.883 MB LDB: TIME 13843.3 LOAD: AVG 0.118207 MAX 0.210054 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.891 MB LDB: TIME 13843.3 LOAD: AVG 0.118207 MAX 0.210054 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.891 MB LDB: ============== END OF LOAD BALANCING =============== 13843.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13843.3 PRESSURE: 4608400 -152.451 -93.9626 91.9668 -93.9646 -99.7328 57.9349 91.9667 57.9361 -243.679 GPRESSURE: 4608400 -130.189 12.0289 30.3615 -229.245 -60.9098 75.6485 178.673 24.4861 -208.374 PRESSAVG: 4608400 19.8978 19.455 11.1097 19.4551 -98.8388 -37.6667 11.1097 -37.6668 50.1694 GPRESSAVG: 4608400 19.4365 19.8954 12.7863 20.4115 -98.8901 -36.092 12.2124 -38.9123 50.4415 TIMING: 4608400 CPU: 13840.1, 0.00306671/step Wall: 13840.1, 0.00306671/step, 0.333589 hours remaining, 208.894531 MB of memory in use. ENERGY: 4608400 787.2896 2056.0054 1930.7112 116.4138 -206076.1526 17739.3968 0.0000 0.0000 34214.2875 -149232.0483 298.8019 -183446.3357 -149135.0782 299.4004 -165.2873 -133.1576 557936.1139 -9.5905 -9.6707 PRESSURE: 4608600 -54.4061 225.25 79.8195 225.25 5.25743 -48.0677 79.8201 -48.0683 -43.6972 GPRESSURE: 4608600 -62.1686 164.166 18.1797 194.631 83.911 -27.1089 66.805 -24.2246 -18.3108 PRESSAVG: 4608600 3.63489 -56.2216 20.1302 -56.2216 7.04464 5.12622 20.1302 5.12616 16.9551 GPRESSAVG: 4608600 3.1677 -56.9545 20.2376 -56.7468 8.18708 6.17723 20.2569 5.95495 16.2983 TIMING: 4608600 CPU: 13840.7, 0.00297336/step Wall: 13840.7, 0.00297336/step, 0.32327 hours remaining, 209.152344 MB of memory in use. ENERGY: 4608600 760.9787 2104.0434 1948.5650 112.8550 -206301.4162 17748.5622 0.0000 0.0000 34402.3999 -149224.0120 300.4447 -183626.4119 -149128.8329 299.5602 -30.9486 1.1439 557113.8434 9.2115 9.2177 PRESSURE: 4608800 -305.317 50.3723 -49.0257 50.373 61.5257 55.6503 -49.0259 55.6512 162.864 GPRESSURE: 4608800 -228.918 -2.72605 -89.2647 115.602 97.6251 167.268 -48.3231 59.9805 148.234 PRESSAVG: 4608800 -34.5226 -98.6913 27.0597 -98.6914 -24.3287 40.353 27.0597 40.353 10.3135 GPRESSAVG: 4608800 -34.0664 -98.5191 27.2316 -98.6129 -24.2717 38.8351 25.8035 39.068 10.5849 TIMING: 4608800 CPU: 13841.3, 0.00297672/step Wall: 13841.3, 0.00297672/step, 0.32347 hours remaining, 209.152344 MB of memory in use. ENERGY: 4608800 781.3239 2035.3985 1973.3168 126.8294 -206553.7722 18114.1690 0.0000 0.0000 34230.2034 -149292.5311 298.9409 -183522.7346 -149195.0211 299.3619 -26.9757 5.6469 558000.4008 -16.1793 -15.9177 PRESSURE: 4609000 207.143 19.5134 -84.4235 19.5134 31.0825 -0.68646 -84.4242 -0.685507 -244.521 GPRESSURE: 4609000 239.155 98.7053 -147.97 -23.3075 77.3666 -44.5267 -118.923 22.5612 -227.151 PRESSAVG: 4609000 -0.508041 -7.33461 -24.297 -7.33464 -8.51839 14.4928 -24.2969 14.4928 -24.0589 GPRESSAVG: 4609000 -0.453109 -7.73093 -25.2561 -6.00509 -8.60281 16.695 -21.982 12.1699 -23.6543 TIMING: 4609000 CPU: 13841.9, 0.00297982/step Wall: 13841.9, 0.00297982/step, 0.323641 hours remaining, 209.152344 MB of memory in use. ENERGY: 4609000 765.7781 2069.9427 1923.3376 121.6751 -206489.9878 17986.9919 0.0000 0.0000 34411.8734 -149210.3889 300.5274 -183622.2623 -149114.4717 299.7913 -2.0983 29.7905 557506.2042 -11.0285 -10.9034 PRESSURE: 4609200 -262.109 103.75 17.2904 103.75 -349.879 -87.3158 17.2897 -87.3157 -267.295 GPRESSURE: 4609200 -261.54 71.2116 -28.2046 105.475 -304.782 -77.6372 59.8248 -73.7563 -213.827 PRESSAVG: 4609200 11.1106 34.4753 2.60983 34.4753 -14.4813 27.3507 2.60976 27.3507 -2.68048 GPRESSAVG: 4609200 12.0961 36.0304 1.72007 32.5386 -15.0168 22.7034 2.68616 30.0918 -3.43437 TIMING: 4609200 CPU: 13842.5, 0.00294637/step Wall: 13842.5, 0.00294637/step, 0.319845 hours remaining, 209.152344 MB of memory in use. ENERGY: 4609200 727.4889 2082.3850 1941.1462 121.5565 -205662.4030 17386.4422 0.0000 0.0000 34247.7344 -149155.6498 299.0940 -183403.3842 -149057.9887 300.0591 -293.0943 -260.0494 557050.7169 -2.0171 -2.1184 PRESSURE: 4609400 -57.6579 112.201 2.8315 112.2 93.4653 -110.691 2.83283 -110.691 223.462 GPRESSURE: 4609400 -22.1942 90.958 -31.2701 88.8825 111.226 -143.054 34.8496 -38.9175 261.42 PRESSAVG: 4609400 -36.1273 3.14946 22.8665 3.14939 29.8742 -30.1117 22.8665 -30.1116 -21.3287 GPRESSAVG: 4609400 -36.2497 0.995314 24.0642 5.42611 30.4943 -29.2377 22.6883 -30.3806 -21.697 TIMING: 4609400 CPU: 13843.1, 0.00296978/step Wall: 13843.1, 0.00296978/step, 0.322221 hours remaining, 209.152344 MB of memory in use. ENERGY: 4609400 710.3543 2129.6251 1939.1473 120.5427 -206398.1496 17940.1332 0.0000 0.0000 34356.9685 -149201.3783 300.0480 -183558.3469 -149108.5625 299.8553 86.4231 116.8172 556404.9806 -9.1939 -9.1508 PRESSURE: 4609600 -195.415 35.7362 -48.9323 35.736 -292.847 -43.2143 -48.932 -43.2144 48.0581 GPRESSURE: 4609600 -261.065 62.2182 -144.833 -55.9056 -199.695 -49.8213 20.0552 -62.389 127.417 PRESSAVG: 4609600 19.2155 -28.6392 -43.9993 -28.6392 39.5643 -22.8965 -43.9994 -22.8964 -43.1602 GPRESSAVG: 4609600 18.5301 -28.566 -44.0893 -30.1278 39.3066 -24.3323 -43.4605 -24.2412 -42.1915 TIMING: 4609600 CPU: 13843.7, 0.00293775/step Wall: 13843.7, 0.00293775/step, 0.318583 hours remaining, 209.152344 MB of memory in use. ENERGY: 4609600 785.9043 2109.0197 1940.3493 117.6595 -206110.7151 17631.8019 0.0000 0.0000 34358.3000 -149167.6804 300.0596 -183525.9804 -149071.3062 300.0049 -146.7344 -111.1142 557396.8962 5.2065 5.2150 PRESSURE: 4609800 28.5396 18.4768 -102.039 18.4764 -53.9526 -2.29223 -102.04 -2.29303 199.009 GPRESSURE: 4609800 98.03 34.2756 -87.8564 11.147 -18.5048 -44.1262 -96.5337 4.03161 196.411 PRESSAVG: 4609800 5.26065 -42.1207 -15.5869 -42.1207 -49.5683 -73.5306 -15.5868 -73.5308 55.5051 GPRESSAVG: 4609800 4.72926 -42.7883 -16.8406 -39.5971 -49.475 -70.9109 -15.4806 -74.1764 55.993 TIMING: 4609800 CPU: 13844.3, 0.00294301/step Wall: 13844.3, 0.00294301/step, 0.31899 hours remaining, 209.152344 MB of memory in use. ENERGY: 4609800 762.4001 2138.8048 1948.2395 104.2900 -206453.0528 17973.4568 0.0000 0.0000 34189.7712 -149336.0904 298.5878 -183525.8616 -149234.1829 299.2177 57.8652 91.9787 556510.5577 3.7325 3.7491 PRESSURE: 4610000 15.3739 199.049 -22.4724 199.049 131.973 192.567 -22.4733 192.568 -9.30069 GPRESSURE: 4610000 54.4568 193.461 52.7666 185.229 157.686 276.708 -31.1766 133.297 20.864 PRESSAVG: 4610000 -19.4179 17.3004 -17.5261 17.3005 25.6636 27.4467 -17.5261 27.4465 7.38628 GPRESSAVG: 4610000 -19.5249 17.7808 -17.0547 15.3113 26.1962 26.3413 -18.5171 27.7721 7.43769 TIMING: 4610000 CPU: 13844.8, 0.00295118/step Wall: 13844.8, 0.00295118/step, 0.319712 hours remaining, 209.152344 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: 4610000 740.4669 2116.3344 1923.7911 121.2098 -206311.6995 17993.7007 0.0000 0.0000 34215.9711 -149200.2254 298.8166 -183416.1966 -149106.6306 299.0967 46.0154 77.6688 556534.8928 4.5440 4.7030 PRESSURE: 4610200 39.937 -51.2348 -52.5717 -51.2341 -61.0493 17.1233 -52.5712 17.1215 174.545 GPRESSURE: 4610200 65.5841 -69.4637 -35.1119 8.51759 -28.2696 54.8451 -88.4183 67.7275 214.149 PRESSAVG: 4610200 32.051 -3.80905 -36.1796 -3.80899 -6.77087 10.4045 -36.1796 10.4045 15.4188 GPRESSAVG: 4610200 33.6449 -2.68571 -35.3867 -3.88954 -8.53788 10.3732 -37.4869 11.301 16.316 TIMING: 4610200 CPU: 13845.4, 0.00297397/step Wall: 13845.4, 0.00297397/step, 0.322015 hours remaining, 209.218750 MB of memory in use. ENERGY: 4610200 727.5180 2127.4544 1928.7314 114.7265 -206148.5198 17809.9605 0.0000 0.0000 34281.1396 -149158.9894 299.3857 -183440.1290 -149063.4118 299.5617 51.1443 83.8212 557233.5365 13.5663 13.8077 PRESSURE: 4610400 -193.35 -197.724 149.985 -197.723 -421.825 -40.7789 149.985 -40.7804 -19.3175 GPRESSURE: 4610400 -103.894 -181.724 183.394 -234.808 -382.737 -55.7216 115.07 29.0404 -42.0006 PRESSAVG: 4610400 -44.4445 -24.4081 63.8423 -24.4081 0.331128 23.6504 63.8423 23.6504 3.51793 GPRESSAVG: 4610400 -45.222 -23.3762 63.8466 -25.0386 1.21364 25.3389 64.7596 22.1424 3.76601 TIMING: 4610400 CPU: 13846, 0.00295416/step Wall: 13846, 0.00295416/step, 0.319706 hours remaining, 209.218750 MB of memory in use. ENERGY: 4610400 731.8030 2127.4308 1931.8051 103.1470 -205780.7855 17329.6894 0.0000 0.0000 34206.7951 -149350.1152 298.7364 -183556.9103 -149249.0407 299.3876 -211.4976 -176.2105 557014.0218 -13.5318 -13.4141 PRESSURE: 4610600 74.4114 32.535 68.1183 32.5349 -5.09307 16.4216 68.1178 16.4227 -83.9738 GPRESSURE: 4610600 162.796 53.2876 142.19 -24.0767 2.67561 -76.3252 128.917 101.353 -97.763 PRESSAVG: 4610600 -39.0628 -18.6457 26.5423 -18.6458 -11.0964 21.6295 26.5424 21.6295 43.0094 GPRESSAVG: 4610600 -39.2706 -21.267 27.4547 -16.6306 -10.8172 20.3756 25.8823 22.5542 43.1206 TIMING: 4610600 CPU: 13846.6, 0.00298419/step Wall: 13846.6, 0.00298419/step, 0.32279 hours remaining, 209.218750 MB of memory in use. ENERGY: 4610600 753.2547 2098.2618 1922.6295 107.3446 -206420.0002 17984.6454 0.0000 0.0000 34047.7174 -149506.1468 297.3472 -183553.8641 -149408.9960 298.3917 -4.8852 22.5696 558395.5973 -2.3833 -2.3224 PRESSURE: 4610800 27.5374 49.402 -105.354 49.4023 -28.94 88.6475 -105.354 88.6464 -305.85 GPRESSURE: 4610800 26.3434 -21.3542 -50.1507 44.9558 16.2459 -25.7064 -89.7085 47.2885 -235.349 PRESSAVG: 4610800 31.3236 -26.3778 -26.8071 -26.3778 11.7486 -46.4747 -26.807 -46.4747 -5.85405 GPRESSAVG: 4610800 32.234 -24.9299 -27.6329 -27.7479 11.7007 -45.3875 -26.3935 -45.8502 -7.43125 TIMING: 4610800 CPU: 13847.2, 0.00300528/step Wall: 13847.2, 0.00300528/step, 0.324905 hours remaining, 209.218750 MB of memory in use. ENERGY: 4610800 761.1973 2085.5680 1902.7499 104.9242 -206490.9190 17853.4934 0.0000 0.0000 34329.4469 -149453.5393 299.8076 -183782.9863 -149353.8800 298.6847 -102.4176 -64.2534 558077.9940 12.4061 12.1678 PRESSURE: 4611000 -222.975 5.66582 -36.1095 5.66714 -340.925 -113.605 -36.1095 -113.604 -327.115 GPRESSURE: 4611000 -239.74 -64.5194 -2.68194 74.4562 -300.174 -134.291 -100.648 -176.666 -269.182 PRESSAVG: 4611000 3.72802 -7.57422 -32.6584 -7.57423 -2.77375 -37.4661 -32.6583 -37.4661 28.2137 GPRESSAVG: 4611000 1.51046 -9.18779 -30.0825 -5.52821 -2.60394 -37.361 -32.9326 -39.0998 30.3428 TIMING: 4611000 CPU: 13847.8, 0.00298425/step Wall: 13847.8, 0.00298425/step, 0.322465 hours remaining, 209.218750 MB of memory in use. ENERGY: 4611000 769.9233 2064.2959 1901.2256 99.6431 -205955.5104 17470.0806 0.0000 0.0000 34320.0511 -149330.2909 299.7255 -183650.3420 -149248.8679 298.6147 -297.0049 -269.6985 558905.8147 9.7226 9.7498 PRESSURE: 4611200 -250.521 -7.38981 158.52 -7.39009 133.196 -43.3424 158.518 -43.3422 -47.7787 GPRESSURE: 4611200 -182.666 39.1256 143.485 -39.3905 130.653 -75.7721 229.789 -80.0937 -12.3541 PRESSAVG: 4611200 44.0399 -31.5966 -4.11559 -31.5966 5.6577 33.4093 -4.11555 33.4094 20.263 GPRESSAVG: 4611200 44.8302 -30.1237 -5.61166 -34.2183 5.52385 32.1022 -4.48374 34.436 19.7597 TIMING: 4611200 CPU: 13848.4, 0.00294801/step Wall: 13848.4, 0.00294801/step, 0.318385 hours remaining, 209.218750 MB of memory in use. ENERGY: 4611200 767.3043 2141.0689 1960.9719 102.0774 -205953.6904 17694.1801 0.0000 0.0000 34150.5247 -149137.5631 298.2450 -183288.0878 -149036.2117 299.3462 -55.0345 -21.4557 557371.8722 23.3202 23.3712 PRESSURE: 4611400 -10.862 -30.5349 -34.5561 -30.5343 -72.9996 8.50262 -34.5568 8.50309 64.2868 GPRESSURE: 4611400 -9.8915 -79.041 -9.11768 27.3516 19.7445 -13.7218 40.2609 10.0789 74.6677 PRESSAVG: 4611400 -55.0054 -22.5559 30.1524 -22.5559 -29.7352 -12.2151 30.1523 -12.2151 43.4435 GPRESSAVG: 4611400 -54.1661 -23.8032 28.4184 -19.8764 -29.9335 -13.4917 31.5871 -10.6469 42.9433 TIMING: 4611400 CPU: 13849, 0.00294142/step Wall: 13849, 0.00294142/step, 0.31751 hours remaining, 209.218750 MB of memory in use. ENERGY: 4611400 769.5438 2085.5088 1919.9529 132.9651 -205821.3190 17782.0304 0.0000 0.0000 34204.6415 -148926.6765 298.7176 -183131.3180 -148830.8739 300.0750 -6.5249 28.1736 558761.1682 -13.7657 -13.7188 PRESSURE: 4611600 -85.1175 137.995 -51.4651 137.994 47.7046 47.2991 -51.465 47.3001 -45.3208 GPRESSURE: 4611600 -26.2348 123.668 -128.519 175.892 61.5043 67.3933 -36.9402 42.5916 -21.4952 PRESSAVG: 4611600 -3.29583 -23.0031 -22.241 -23.0032 15.6833 -36.3785 -22.2411 -36.3785 -1.97473 GPRESSAVG: 4611600 -2.88333 -23.2833 -22.259 -23.1325 14.5 -33.777 -23.8386 -38.0754 -1.18723 TIMING: 4611600 CPU: 13849.6, 0.00293526/step Wall: 13849.6, 0.00293526/step, 0.316682 hours remaining, 209.218750 MB of memory in use. ENERGY: 4611600 751.4709 2095.3380 1919.3953 105.7015 -205970.3819 17831.3707 0.0000 0.0000 34548.7460 -148718.3594 301.7228 -183267.1054 -148616.3428 300.5059 -27.5779 4.5915 559160.6035 3.4709 3.4765 PRESSURE: 4611800 -125.535 -57.3151 -42.5646 -57.3154 77.8638 -51.7396 -42.5646 -51.7395 -24.4812 GPRESSURE: 4611800 -72.9527 -85.2264 -36.9425 -31.4988 91.2529 -56.7646 14.0345 -18.988 -13.8645 PRESSAVG: 4611800 -75.9198 -42.5661 1.15702 -42.5662 33.9455 -13.9319 1.15693 -13.932 -10.3813 GPRESSAVG: 4611800 -76.9529 -42.4268 3.23525 -42.6317 35.1151 -16.2008 0.771969 -11.7707 -11.1304 TIMING: 4611800 CPU: 13850.2, 0.00295869/step Wall: 13850.2, 0.00295869/step, 0.319045 hours remaining, 209.218750 MB of memory in use. ENERGY: 4611800 782.6256 2047.8050 1913.7760 108.3693 -205914.4738 17919.3625 0.0000 0.0000 34273.1972 -148869.3382 299.3164 -183142.5354 -148769.8305 300.2865 -24.0507 1.4786 557844.2652 -17.4519 -17.6561 PRESSURE: 4612000 118.475 -87.665 -90.2847 -87.6668 -24.9555 -22.018 -90.2841 -22.0166 372.579 GPRESSURE: 4612000 136.162 -7.91934 -68.1976 -44.9694 36.6377 -119.355 -55.0785 -22.0189 393.944 PRESSAVG: 4612000 -13.4973 5.9155 9.56227 5.91554 3.57355 -22.1414 9.56218 -22.1415 15.7482 GPRESSAVG: 4612000 -13.8217 8.58327 7.27384 3.58695 3.97095 -21.6081 10.5577 -24.3786 15.5156 TIMING: 4612000 CPU: 13850.8, 0.00297232/step Wall: 13850.8, 0.00297232/step, 0.32035 hours remaining, 209.218750 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: 4612000 729.5125 2079.5200 1935.5151 118.0308 -206300.7816 18218.9670 0.0000 0.0000 34268.8846 -148950.3516 299.2787 -183219.2362 -148856.7992 299.6889 155.3663 188.9147 557566.4615 1.9415 1.8883 PRESSURE: 4612200 150.32 -70.4738 105.112 -70.4734 -41.401 -129.752 105.111 -129.753 7.70879 GPRESSURE: 4612200 204.034 -119.75 203.965 -115.558 -13.9439 -109.452 106.954 -83.177 33.6294 PRESSAVG: 4612200 17.4906 -25.2363 0.864404 -25.2363 -52.1551 -41.6685 0.864439 -41.6686 7.62125 GPRESSAVG: 4612200 19.3384 -29.6619 2.1149 -22.2931 -52.5015 -42.6048 0.725119 -40.8022 6.90372 TIMING: 4612200 CPU: 13851.4, 0.00294622/step Wall: 13851.4, 0.00294622/step, 0.317373 hours remaining, 209.218750 MB of memory in use. ENERGY: 4612200 722.8747 2060.3768 1922.5893 119.3696 -206018.3094 17767.5204 0.0000 0.0000 34437.6131 -148987.9656 300.7522 -183425.5786 -148898.1148 299.8842 38.8758 74.5732 556627.7556 -9.0144 -8.7531 LDB: ============= START OF LOAD BALANCING ============== 13854.9 LDB: ============== END OF LOAD BALANCING =============== 13854.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13854.9 LDB: ============= START OF LOAD BALANCING ============== 13855.2 LDB: Largest compute 4796 load 0.028493 is 24.1% of average load 0.118143 LDB: Average compute 0.001728 is 1.5% of average load 0.118143 LDB: TIME 13855.2 LOAD: AVG 0.118143 MAX 0.208079 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.961 MB LDB: TIME 13855.2 LOAD: AVG 0.118143 MAX 0.208079 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.164 MB LDB: TIME 13855.2 LOAD: AVG 0.118143 MAX 0.208079 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.164 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13855.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13855.2 PRESSURE: 4612400 -33.3176 70.046 60.8946 70.0464 -64.8366 -145.314 60.893 -145.314 -166.275 GPRESSURE: 4612400 6.86081 97.6555 107.973 112.796 -69.2139 -144.416 32.2826 -134.096 -110.089 PRESSAVG: 4612400 38.1907 -20.7776 20.7838 -20.7776 -11.1865 -47.3677 20.7837 -47.3677 -28.8578 GPRESSAVG: 4612400 37.1491 -20.9603 21.0136 -19.8536 -11.2787 -46.0874 20.3526 -47.8408 -27.7052 TIMING: 4612400 CPU: 13852, 0.00303817/step Wall: 13852, 0.00303817/step, 0.32711 hours remaining, 209.945312 MB of memory in use. ENERGY: 4612400 693.8915 2025.9441 1965.1411 119.6577 -205435.1485 17439.6054 0.0000 0.0000 34094.8825 -149096.0261 297.7591 -183190.9085 -148996.3129 299.2578 -88.1431 -57.4805 558347.6224 -0.6179 -0.6116 PRESSURE: 4612600 -99.7405 100.595 175.326 100.595 -28.1051 135.157 175.325 135.157 -120.598 GPRESSURE: 4612600 -11.1846 146.727 184.662 71.7464 -17.6808 126.237 166.91 133.21 -94.6909 PRESSAVG: 4612600 -7.67915 -0.216776 62.2652 -0.216725 28.8709 -15.5427 62.2651 -15.5427 -25.9607 GPRESSAVG: 4612600 -6.77211 2.08674 61.5371 -1.93752 29.0985 -18.1979 62.2807 -12.7887 -26.6832 TIMING: 4612600 CPU: 13852.6, 0.00295873/step Wall: 13852.6, 0.00295873/step, 0.318392 hours remaining, 210.148438 MB of memory in use. ENERGY: 4612600 750.7891 2046.4967 1911.4757 103.4471 -205956.2778 17671.7062 0.0000 0.0000 34155.6444 -149316.7186 298.2897 -183472.3630 -149221.3227 298.0014 -82.8144 -41.1854 557161.4852 -1.5896 -1.4523 PRESSURE: 4612800 104.92 83.0538 100.667 83.0533 11.1852 109.31 100.667 109.311 -12.6564 GPRESSURE: 4612800 131.39 161.603 75.2356 109.14 6.46443 112.854 85.2361 19.1 51.855 PRESSAVG: 4612800 -24.2318 25.1532 32.4062 25.1532 18.6638 -24.0925 32.4062 -24.0926 31.8507 GPRESSAVG: 4612800 -25.5616 24.8038 32.5318 25.1669 17.3512 -21.9544 33.7287 -27.2563 33.5988 TIMING: 4612800 CPU: 13853.2, 0.00299882/step Wall: 13853.2, 0.00299882/step, 0.322539 hours remaining, 210.148438 MB of memory in use. ENERGY: 4612800 741.0797 1995.5247 1926.9064 100.0432 -206123.0142 17789.8066 0.0000 0.0000 34252.4776 -149317.1760 299.1354 -183569.6536 -149220.5250 299.0995 34.4830 63.2366 556728.3584 8.7609 8.4628 PRESSURE: 4613000 -107.984 21.1298 -108.63 21.1298 22.8349 46.9506 -108.63 46.9503 66.5038 GPRESSURE: 4613000 -70.9227 36.0589 -87.7194 65.4977 10.1552 35.4931 -162.583 92.4136 126.445 PRESSAVG: 4613000 3.22152 12.0253 -25.1144 12.0253 4.16833 -0.232067 -25.1145 -0.231958 20.1097 GPRESSAVG: 4613000 3.83605 10.8832 -24.6572 13.1779 4.79216 -1.07085 -24.9429 2.37276 19.3458 TIMING: 4613000 CPU: 13853.8, 0.00295615/step Wall: 13853.8, 0.00295615/step, 0.317786 hours remaining, 210.148438 MB of memory in use. ENERGY: 4613000 712.6246 2098.3805 1931.5621 114.4229 -205963.6726 17567.6505 0.0000 0.0000 34188.3109 -149350.7211 298.5750 -183539.0320 -149249.5736 298.9580 -6.2149 21.8926 555582.1900 9.1665 9.3247 PRESSURE: 4613200 -117.99 -117.278 -61.2598 -117.279 -98.8751 120.983 -61.259 120.983 105.038 GPRESSURE: 4613200 -117.275 -80.7293 -19.3448 -93.1151 -80.4452 79.8954 -124.099 183.459 172.72 PRESSAVG: 4613200 12.1032 16.5015 -8.36028 16.5016 24.4446 0.0755304 -8.36033 0.0755806 -20.1335 GPRESSAVG: 4613200 11.7052 19.5531 -8.19741 14.4645 24.8464 0.328237 -8.67138 -0.508529 -20.1059 TIMING: 4613200 CPU: 13854.3, 0.00296192/step Wall: 13854.3, 0.00296192/step, 0.318242 hours remaining, 210.148438 MB of memory in use. ENERGY: 4613200 724.3960 2065.8781 1926.1082 109.3499 -205787.1389 17663.6515 0.0000 0.0000 34051.2149 -149246.5403 297.3777 -183297.7552 -149154.0066 298.5742 -37.2758 -8.3332 558430.2316 5.4714 5.4819 PRESSURE: 4613400 -176.141 88.316 -157.722 88.3157 -156.241 -170.988 -157.722 -170.989 -169.614 GPRESSURE: 4613400 -153.921 98.1227 -133.542 138.24 -100.418 -92.3568 -209.089 -163.054 -145.937 PRESSAVG: 4613400 6.24254 46.9594 -25.3899 46.9593 -33.528 -15.6156 -25.39 -15.6155 59.4625 GPRESSAVG: 4613400 6.16685 44.177 -24.8269 48.1303 -33.3435 -15.6355 -26.7296 -17.6432 59.631 TIMING: 4613400 CPU: 13854.9, 0.00295995/step Wall: 13854.9, 0.00295995/step, 0.317866 hours remaining, 210.148438 MB of memory in use. ENERGY: 4613400 734.8203 2110.1869 1925.6845 104.8700 -205856.1896 17600.1626 0.0000 0.0000 34224.7622 -149155.7030 298.8934 -183380.4652 -149065.1667 299.0395 -167.3319 -133.4250 560569.4211 10.7257 10.8181 PRESSURE: 4613600 -39.5525 65.0289 218.974 65.0278 -149.067 -55.0058 218.974 -55.006 239.529 GPRESSURE: 4613600 64.118 -35.7251 238.961 88.6407 -150.779 -103.978 170.233 -17.4325 235.807 PRESSAVG: 4613600 -6.33805 46.607 3.66589 46.6069 -27.5069 27.2648 3.66588 27.265 44.8207 GPRESSAVG: 4613600 -5.93656 47.3762 2.9034 44.5163 -28.9367 26.9128 4.83613 29.3927 45.6282 TIMING: 4613600 CPU: 13855.5, 0.0029632/step Wall: 13855.5, 0.0029632/step, 0.318051 hours remaining, 210.148438 MB of memory in use. ENERGY: 4613600 724.6701 2038.9159 1937.5763 106.3099 -206244.3603 17723.5585 0.0000 0.0000 34319.9362 -149393.3933 299.7245 -183713.3296 -149297.1038 299.0136 16.9701 49.7154 558211.4790 3.6586 3.5850 PRESSURE: 4613800 -2.77195 28.0246 37.9371 28.0263 -91.3578 14.0933 37.9369 14.0953 31.9691 GPRESSURE: 4613800 45.2594 5.62418 109.021 40.5414 -62.9896 -61.4049 -43.0863 62.8909 44.6005 PRESSAVG: 4613800 -8.69518 39.4143 37.2613 39.4143 -12.5717 20.4544 37.2615 20.4544 -26.2516 GPRESSAVG: 4613800 -9.13059 39.2912 36.5495 40.8019 -12.7728 22.6646 38.2619 18.0622 -26.542 TIMING: 4613800 CPU: 13856.1, 0.00297/step Wall: 13856.1, 0.00297/step, 0.318615 hours remaining, 210.273438 MB of memory in use. ENERGY: 4613800 765.7820 2082.8426 1929.4436 88.5741 -206040.6575 17796.2932 0.0000 0.0000 34125.5502 -149252.1719 298.0269 -183377.7221 -149146.2750 298.6909 -20.7202 8.9568 557476.1287 -15.8395 -16.1485 PRESSURE: 4614000 121.644 34.8958 51.8266 34.8967 -118.444 120.805 51.8255 120.806 33.2669 GPRESSURE: 4614000 155.296 5.09985 -41.1702 72.6174 -85.1217 53.8842 61.1594 173.94 62.5899 PRESSAVG: 4614000 24.9436 19.4974 50.6228 19.4974 -42.4208 -34.7755 50.6229 -34.7754 64.1931 GPRESSAVG: 4614000 25.6029 18.1347 53.6308 19.9491 -43.8941 -38.0222 47.7189 -32.2332 64.9445 TIMING: 4614000 CPU: 13856.7, 0.00297142/step Wall: 13856.7, 0.00297142/step, 0.318602 hours remaining, 210.273438 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: 4614000 784.6145 2058.2092 1954.9004 116.7696 -205936.5642 17755.7916 0.0000 0.0000 34288.7421 -148977.5368 299.4521 -183266.2789 -148885.4079 299.5064 12.1554 44.2546 556325.9136 15.5720 15.5511 PRESSURE: 4614200 -145.7 -30.4394 -48.603 -30.4396 -136.436 84.7132 -48.6036 84.7132 82.1086 GPRESSURE: 4614200 -62.648 -51.5388 -53.8879 -10.4291 -117.1 103.428 -31.0064 67.3597 87.2945 PRESSAVG: 4614200 -3.90436 -7.94858 21.2089 -7.94853 3.85195 8.11039 21.2088 8.11028 2.56285 GPRESSAVG: 4614200 -3.82092 -6.36343 20.5633 -9.79296 4.4526 10.6921 22.3654 5.80324 1.72091 TIMING: 4614200 CPU: 13857.3, 0.00296111/step Wall: 13857.3, 0.00296111/step, 0.317332 hours remaining, 210.273438 MB of memory in use. ENERGY: 4614200 735.4868 2123.7450 1938.0477 113.2098 -205875.4391 17685.4095 0.0000 0.0000 34133.3434 -149146.1969 298.0950 -183279.5403 -149044.2341 299.8377 -66.6759 -30.8178 558088.2656 0.8368 0.7842 PRESSURE: 4614400 -2.81166 -69.5982 -44.9291 -69.5986 -223.494 -5.2034 -44.9307 -5.20355 -151.215 GPRESSURE: 4614400 -10.864 -38.3552 -33.5879 -65.3309 -111.462 -21.8145 -39.6191 33.1321 -156.738 PRESSAVG: 4614400 10.4635 -5.35321 28.186 -5.35324 -29.9305 35.7913 28.1859 35.7913 59.6166 GPRESSAVG: 4614400 11.9246 -5.81752 25.7544 -4.00436 -29.7009 36.5095 29.4043 35.8884 58.6212 TIMING: 4614400 CPU: 13857.9, 0.00295366/step Wall: 13857.9, 0.00295366/step, 0.31637 hours remaining, 210.273438 MB of memory in use. ENERGY: 4614400 746.1323 2091.1436 1945.8510 125.0546 -205561.9265 17360.6195 0.0000 0.0000 34157.6876 -149135.4378 298.3076 -183293.1254 -149039.8241 299.7892 -125.8402 -93.0212 557398.7849 13.3832 13.6150 PRESSURE: 4614600 -60.6001 -30.0089 58.5698 -30.0086 2.10133 -134.611 58.5697 -134.612 67.4761 GPRESSURE: 4614600 -1.79278 -11.192 142.111 39.4836 33.5882 -104.684 89.29 -127.535 80.7664 PRESSAVG: 4614600 18.6638 -18.5539 10.1223 -18.5539 -33.5988 -40.1189 10.1224 -40.1189 7.68067 GPRESSAVG: 4614600 16.1726 -18.8288 12.177 -19.4019 -33.3139 -42.6762 11.2007 -36.5576 9.84926 TIMING: 4614600 CPU: 13858.5, 0.00295645/step Wall: 13858.5, 0.00295645/step, 0.316505 hours remaining, 210.273438 MB of memory in use. ENERGY: 4614600 738.3349 2111.3678 1904.6720 120.5014 -206491.5370 17804.8033 0.0000 0.0000 34566.2693 -149245.5884 301.8758 -183811.8576 -149150.7505 299.5238 2.9924 37.5206 555315.5396 -2.4181 -2.4307 PRESSURE: 4614800 -79.3678 78.4384 -145.917 78.4379 -339.875 -17.6522 -145.916 -17.6527 -173.021 GPRESSURE: 4614800 -95.7674 57.7396 -107.978 70.4541 -238.144 -35.8585 -190.98 9.85221 -169.966 PRESSAVG: 4614800 -27.2062 66.3937 18.2974 66.3936 7.41964 -36.8726 18.2975 -36.8724 13.3056 GPRESSAVG: 4614800 -25.5763 67.6046 16.4782 66.2508 7.13495 -34.8769 17.3629 -38.2061 11.5885 TIMING: 4614800 CPU: 13859.1, 0.0029617/step Wall: 13859.1, 0.0029617/step, 0.316902 hours remaining, 210.273438 MB of memory in use. ENERGY: 4614800 747.6703 2045.0644 1937.8581 97.3226 -205754.9391 17507.1546 0.0000 0.0000 34185.6374 -149234.2318 298.5517 -183419.8692 -149137.0407 298.9176 -197.4214 -167.9592 558010.9067 -2.1603 -2.2843 PRESSURE: 4615000 -64.3064 26.1139 -64.0504 26.1132 -16.1875 -141.233 -64.0505 -141.234 -109.981 GPRESSURE: 4615000 -12.0416 -37.143 6.65962 116.145 -23.9489 -126.66 -95.9215 -186.728 -52.396 PRESSAVG: 4615000 -0.3049 67.8495 -1.6632 67.8495 23.7239 -28.0069 -1.66323 -28.0068 -35.2478 GPRESSAVG: 4615000 -1.01248 67.2268 -0.712158 67.8959 23.4524 -28.9411 -2.60642 -31.0226 -34.0684 TIMING: 4615000 CPU: 13859.7, 0.00298598/step Wall: 13859.7, 0.00298598/step, 0.319334 hours remaining, 210.273438 MB of memory in use. ENERGY: 4615000 753.1591 2073.3430 1970.3334 102.7344 -206174.2453 17751.4316 0.0000 0.0000 34227.4738 -149295.7701 298.9170 -183523.2438 -149198.0792 299.1997 -63.4916 -29.4622 556440.5990 -3.9429 -3.8762 PRESSURE: 4615200 -271.071 45.2592 223.574 45.258 -158.097 -51.6829 223.573 -51.6841 -84.9333 GPRESSURE: 4615200 -247.828 102.971 103.771 -23.8069 -113.221 -85.995 161.177 46.0118 -52.1843 PRESSAVG: 4615200 -50.0406 24.2842 52.7555 24.2841 18.4901 14.7377 52.7554 14.7378 33.162 GPRESSAVG: 4615200 -48.3602 24.5688 50.7836 25.0833 18.7102 14.6822 53.7167 16.9826 31.2989 TIMING: 4615200 CPU: 13860.3, 0.00295411/step Wall: 13860.3, 0.00295411/step, 0.315761 hours remaining, 210.273438 MB of memory in use. ENERGY: 4615200 734.0554 2115.1812 1945.9554 107.5541 -206019.1300 17530.7051 0.0000 0.0000 34274.6597 -149311.0191 299.3291 -183585.6787 -149211.3330 299.9062 -171.3670 -137.7443 556834.2473 0.5372 0.5496 PRESSURE: 4615400 -6.10968 4.73424 -130.543 4.7332 -125.139 83.4295 -130.544 83.43 -10.5065 GPRESSURE: 4615400 24.6482 110.501 -41.2921 -16.8132 -83.4306 -22.7276 -112.485 150.991 21.5347 PRESSAVG: 4615400 10.4275 58.2833 28.4409 58.2834 -38.8517 15.0228 28.441 15.0228 50.8113 GPRESSAVG: 4615400 8.1879 58.0975 30.1602 57.6929 -38.3796 14.9623 27.8258 13.913 52.0896 TIMING: 4615400 CPU: 13860.9, 0.00299022/step Wall: 13860.9, 0.00299022/step, 0.319455 hours remaining, 210.273438 MB of memory in use. ENERGY: 4615400 731.0263 2082.1300 1957.0692 105.9877 -206290.9161 17736.6982 0.0000 0.0000 34390.4031 -149287.6016 300.3399 -183678.0047 -149191.4746 298.7030 -47.2516 -12.4159 555684.0814 7.4624 7.2993 PRESSURE: 4615600 266.209 -83.3953 -36.7609 -83.3939 291.446 -126.145 -36.7616 -126.146 244.001 GPRESSURE: 4615600 238.464 -48.5214 -23.6449 -124.692 365.631 -133.134 41.4582 -60.9749 291.154 PRESSAVG: 4615600 -16.7154 51.6455 -1.41207 51.6455 -19.6275 40.758 -1.41214 40.758 9.54382 GPRESSAVG: 4615600 -16.3729 50.6445 -1.45295 52.4333 -19.4197 42.588 -1.43162 40.4924 8.58434 TIMING: 4615600 CPU: 13861.5, 0.00296727/step Wall: 13861.5, 0.00296727/step, 0.316839 hours remaining, 210.273438 MB of memory in use. ENERGY: 4615600 721.2920 2117.2800 1944.5589 102.9499 -206939.2354 18284.6438 0.0000 0.0000 34371.4955 -149397.0153 300.1748 -183768.5108 -149300.2203 299.0429 267.2187 298.4160 556046.7848 -8.9330 -9.0694 PRESSURE: 4615800 92.3962 -108.75 122.487 -108.751 -194.413 11.9264 122.488 11.928 -21.0696 GPRESSURE: 4615800 147.672 -130.092 169.678 -117.49 -145.59 13.4464 121.644 22.4175 -40.6358 PRESSAVG: 4615800 -2.48357 -52.8728 -7.98532 -52.8728 27.5556 -13.7975 -7.9853 -13.7974 -29.677 GPRESSAVG: 4615800 -3.01077 -52.1037 -7.48898 -52.0598 26.5203 -14.9366 -6.74978 -13.94 -28.3217 TIMING: 4615800 CPU: 13862.1, 0.00295321/step Wall: 13862.1, 0.00295321/step, 0.315173 hours remaining, 210.273438 MB of memory in use. ENERGY: 4615800 771.1530 2091.1578 1929.6814 106.9548 -206239.7911 17647.4503 0.0000 0.0000 34374.2260 -149319.1678 300.1987 -183693.3938 -149223.6361 299.1186 -41.0289 -12.8513 556537.9281 -1.5350 -1.6040 PRESSURE: 4616000 96.3962 -34.4742 -221.938 -34.474 43.3719 -119.95 -221.94 -119.948 -157.975 GPRESSURE: 4616000 122.039 -31.5775 -149.517 -54.3703 16.0549 -115.874 -269.362 -126.388 -57.5607 PRESSAVG: 4616000 35.0859 -67.8777 -56.129 -67.8777 -28.1548 -17.2175 -56.129 -17.2174 18.3132 GPRESSAVG: 4616000 36.2717 -67.6819 -58.2062 -66.884 -28.5417 -16.4758 -57.4491 -18.8134 18.0368 TIMING: 4616000 CPU: 13862.7, 0.00301739/step Wall: 13862.7, 0.00301739/step, 0.321855 hours remaining, 210.273438 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: 4616000 755.9798 2064.5251 1956.2144 107.6045 -206664.8850 18034.5674 0.0000 0.0000 34476.8124 -149269.1814 301.0946 -183745.9938 -149170.7940 299.5928 -6.0689 26.8443 557142.3335 8.4147 8.5889 PRESSURE: 4616200 6.04733 -53.4585 73.1758 -53.4576 -139.337 -111.471 73.1756 -111.469 -85.7339 GPRESSURE: 4616200 14.2124 -109.808 70.5743 -20.7423 -122.016 -73.5754 73.5203 -72.3436 -1.5476 PRESSAVG: 4616200 60.9135 -36.1493 10.0433 -36.1492 -47.765 -53.1651 10.0433 -53.1651 42.5628 GPRESSAVG: 4616200 60.6459 -37.6835 10.61 -36.3215 -46.4688 -52.0243 9.42167 -48.7594 41.8125 TIMING: 4616200 CPU: 13863.3, 0.00296428/step Wall: 13863.3, 0.00296428/step, 0.316026 hours remaining, 210.273438 MB of memory in use. ENERGY: 4616200 755.3613 2073.3374 1937.3117 118.3905 -205927.5303 17721.3160 0.0000 0.0000 34339.4090 -148982.4044 299.8946 -183321.8134 -148887.9131 300.1853 -73.0079 -36.4503 559688.8780 18.5704 18.6632 LDB: ============= START OF LOAD BALANCING ============== 13866.8 LDB: ============== END OF LOAD BALANCING =============== 13866.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13866.8 LDB: ============= START OF LOAD BALANCING ============== 13867.1 LDB: Largest compute 4796 load 0.028867 is 24.4% of average load 0.118216 LDB: Average compute 0.001726 is 1.5% of average load 0.118216 LDB: TIME 13867.1 LOAD: AVG 0.118216 MAX 0.208765 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.742 MB LDB: TIME 13867.1 LOAD: AVG 0.118216 MAX 0.208765 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.742 MB LDB: TIME 13867.1 LOAD: AVG 0.118216 MAX 0.208765 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.742 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13867.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13867.1 PRESSURE: 4616400 -249.548 62.3961 81.8415 62.3959 -153.603 135.47 81.8408 135.47 144.685 GPRESSURE: 4616400 -192.061 -19.1915 160.439 99.1152 -148.274 64.9096 65.1214 126.924 187.117 PRESSAVG: 4616400 -15.0421 5.70638 22.2424 5.70634 -33.6241 29.827 22.2424 29.827 36.0163 GPRESSAVG: 4616400 -14.5535 7.19638 23.6008 4.16222 -33.0742 29.7206 22.3435 28.3163 35.4617 TIMING: 4616400 CPU: 13863.9, 0.00300533/step Wall: 13863.9, 0.00300533/step, 0.320235 hours remaining, 209.746094 MB of memory in use. ENERGY: 4616400 758.7718 2073.6788 1956.5607 109.6857 -206077.8177 17911.5305 0.0000 0.0000 34216.2532 -149051.3369 298.8190 -183267.5902 -148955.6813 300.3331 -86.1550 -51.0727 561796.2226 -4.2166 -4.0553 PRESSURE: 4616600 -78.4228 103.894 -46.6255 103.892 -351.269 -31.9901 -46.6268 -31.9904 87.0081 GPRESSURE: 4616600 -69.0707 53.02 -57.4994 135.246 -280.562 -43.0062 -131.335 -12.1949 103.66 PRESSAVG: 4616600 -57.0578 -3.52693 -56.8112 -3.52699 -64.3254 -15.5887 -56.8112 -15.5887 73.5189 GPRESSAVG: 4616600 -56.9598 -4.36925 -59.463 -3.67159 -64.999 -16.506 -56.4844 -17.6809 74.0437 TIMING: 4616600 CPU: 13864.4, 0.0029352/step Wall: 13864.4, 0.0029352/step, 0.312599 hours remaining, 209.949219 MB of memory in use. ENERGY: 4616600 721.4591 2095.0803 1917.5835 114.3090 -206085.9246 17744.5688 0.0000 0.0000 34394.9804 -149097.9435 300.3799 -183492.9239 -148995.3911 299.4942 -114.2279 -81.9907 560834.5957 -15.9547 -15.9717 PRESSURE: 4616800 -19.6226 -118.096 94.586 -118.096 167.634 -41.4368 94.5869 -41.436 203.217 GPRESSURE: 4616800 13.7624 -38.1245 101.718 -131.372 126.7 -43.6799 94.8822 -5.03795 316.5 PRESSAVG: 4616800 -7.54562 -33.1227 9.28112 -33.1227 -15.9737 6.18402 9.28115 6.18402 61.4094 GPRESSAVG: 4616800 -6.23211 -32.1181 10.3303 -34.2579 -17.6702 5.52222 10.4141 7.96101 61.9387 TIMING: 4616800 CPU: 13865, 0.00296528/step Wall: 13865, 0.00296528/step, 0.315638 hours remaining, 209.949219 MB of memory in use. ENERGY: 4616800 767.2194 2054.1328 1925.9211 108.3712 -206452.1821 18082.9394 0.0000 0.0000 34477.4979 -149036.1002 301.1006 -183513.5981 -148943.8690 299.7399 117.0763 152.3209 558692.4959 12.6300 12.6788 PRESSURE: 4617000 -206.623 -97.7422 113.542 -97.7417 -22.9018 -188.271 113.543 -188.271 67.0542 GPRESSURE: 4617000 -201.182 -102.663 53.9493 -56.5893 55.1844 -99.3807 163.23 -186.582 83.3583 PRESSAVG: 4617000 -8.65353 -10.3013 48.6852 -10.3012 -27.2465 -59.8104 48.6853 -59.8105 22.1875 GPRESSAVG: 4617000 -10.5405 -10.0449 50.0484 -10.4411 -25.333 -57.296 47.1904 -60.4924 22.3007 TIMING: 4617000 CPU: 13865.6, 0.0029463/step Wall: 13865.6, 0.0029463/step, 0.313454 hours remaining, 209.949219 MB of memory in use. ENERGY: 4617000 754.5577 2091.3440 1926.1865 111.9647 -206153.7216 18037.1387 0.0000 0.0000 34249.3723 -148983.1576 299.1083 -183232.5299 -148889.3020 299.3047 -54.1567 -20.8799 560401.7417 -4.5708 -4.5243 PRESSURE: 4617200 66.2616 -18.3838 115.564 -18.3829 128.477 59.74 115.565 59.7426 -35.3383 GPRESSURE: 4617200 115.744 -8.80377 124.918 -18.7097 147.858 38.4477 125.983 79.7518 -19.7653 PRESSAVG: 4617200 45.5046 -32.5399 18.7626 -32.5398 -24.0141 -17.5763 18.7627 -17.5763 -14.7667 GPRESSAVG: 4617200 46.5201 -34.0008 19.1572 -31.7311 -24.1202 -20.443 17.2384 -18.2903 -15.2579 TIMING: 4617200 CPU: 13866.2, 0.00295445/step Wall: 13866.2, 0.00295445/step, 0.314156 hours remaining, 209.949219 MB of memory in use. ENERGY: 4617200 784.1166 2084.7807 1919.7931 103.1430 -206093.0867 17918.9342 0.0000 0.0000 34377.6379 -148904.6812 300.2285 -183282.3192 -148808.5392 299.5957 53.1335 81.2789 559627.0100 2.2413 2.3807 PRESSURE: 4617400 130.991 -28.2468 77.9491 -28.2457 -56.4721 -63.6748 77.9496 -63.6753 -302.85 GPRESSURE: 4617400 106.854 -20.8283 125.709 19.4271 2.64671 -27.4611 69.2447 -72.2697 -248.592 PRESSAVG: 4617400 82.7947 14.4046 47.8598 14.4046 -37.2088 -12.2626 47.8598 -12.2627 -14.8247 GPRESSAVG: 4617400 82.8363 14.7031 45.9388 14.5549 -36.4196 -10.2521 51.0415 -12.1673 -15.1991 TIMING: 4617400 CPU: 13866.8, 0.00294663/step Wall: 13866.8, 0.00294663/step, 0.313161 hours remaining, 209.949219 MB of memory in use. ENERGY: 4617400 708.2452 2088.1347 1936.7644 115.1405 -205553.0284 17367.0141 0.0000 0.0000 34322.2981 -149015.4313 299.7452 -183337.7294 -148911.6496 299.0578 -76.1104 -46.3638 559005.9359 10.2537 10.4059 PRESSURE: 4617600 500.251 88.3665 100.29 88.3664 -138.836 172.174 100.289 172.176 129.058 GPRESSURE: 4617600 504.541 75.8741 101.355 141.672 -116.36 81.9602 81.6006 266.442 208.973 PRESSAVG: 4617600 83.3317 -68.5168 15.3662 -68.5169 -68.3186 -14.4227 15.3662 -14.4228 -55.246 GPRESSAVG: 4617600 83.319 -69.0285 16.0667 -68.8586 -69.0402 -16.9322 13.5342 -12.3227 -54.1066 TIMING: 4617600 CPU: 13867.4, 0.00293326/step Wall: 13867.4, 0.00293326/step, 0.311577 hours remaining, 209.949219 MB of memory in use. ENERGY: 4617600 737.8688 2055.9637 1947.7884 109.2810 -206460.5479 18229.1873 0.0000 0.0000 34410.5675 -148969.8911 300.5160 -183380.4587 -148879.5300 299.7789 163.4910 199.0515 557636.9880 -13.4110 -13.2759 PRESSURE: 4617800 -201.892 56.2383 -89.6374 56.2381 -158.763 71.1477 -89.6374 71.1487 -180.927 GPRESSURE: 4617800 -144.377 118.272 -98.2198 -12.2654 -152.821 -60.7382 -90.2699 164.527 -145.391 PRESSAVG: 4617800 25.1164 5.77123 -42.9537 5.77117 -43.8369 1.73433 -42.9538 1.73435 25.3691 GPRESSAVG: 4617800 25.1094 6.92675 -43.3278 5.76212 -43.1595 0.27151 -42.9186 2.24822 25.3979 TIMING: 4617800 CPU: 13868, 0.00296423/step Wall: 13868, 0.00296423/step, 0.314703 hours remaining, 209.949219 MB of memory in use. ENERGY: 4617800 763.8381 2072.0747 1935.7618 119.0417 -205716.8003 17586.5432 0.0000 0.0000 34130.1960 -149109.3448 298.0675 -183239.5407 -149007.1914 299.7341 -180.5275 -147.5300 557420.0291 2.2162 2.4493 PRESSURE: 4618000 386.806 -73.8854 -1.57863 -73.8859 81.9105 -16.2792 -1.57802 -16.2799 175.524 GPRESSURE: 4618000 405.486 -50.8732 -42.2082 -43.1128 169.143 -4.18734 -63.1667 -34.8209 170.34 PRESSAVG: 4618000 38.9242 26.5707 -16.113 26.5707 19.2716 13.4747 -16.113 13.4746 -80.7805 GPRESSAVG: 4618000 37.8223 26.2731 -16.2368 26.106 20.6486 16.4858 -15.1965 13.8914 -81.0139 TIMING: 4618000 CPU: 13868.6, 0.00296671/step Wall: 13868.6, 0.00296671/step, 0.314801 hours remaining, 209.949219 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: 4618000 751.8849 2057.5164 1964.8701 108.2349 -206480.5682 18162.5996 0.0000 0.0000 34277.3796 -149158.0827 299.3529 -183435.4623 -149063.6087 299.6560 214.7469 248.3229 555521.4042 -7.5282 -7.5144 PRESSURE: 4618200 -95.6499 -37.2831 9.15116 -37.2844 263.452 94.6865 9.15145 94.6842 -29.7262 GPRESSURE: 4618200 -29.7024 -67.3854 35.0551 -82.1119 253.083 113.744 64.4219 38.1693 18.9019 PRESSAVG: 4618200 63.6624 -25.7758 -22.4047 -25.7757 13.201 15.2635 -22.4047 15.2636 -38.827 GPRESSAVG: 4618200 64.4884 -25.9747 -24.1514 -25.2552 12.6913 15.1138 -19.4936 12.6995 -38.8124 TIMING: 4618200 CPU: 13869.2, 0.002966/step Wall: 13869.2, 0.002966/step, 0.314561 hours remaining, 209.949219 MB of memory in use. ENERGY: 4618200 733.7282 2080.9467 1912.5483 114.0132 -205722.6092 17584.0181 0.0000 0.0000 34258.9124 -149038.4424 299.1916 -183297.3547 -148946.9678 299.7252 46.0252 80.7609 555730.7054 12.6788 12.7891 PRESSURE: 4618400 -23.2491 6.02883 146.772 6.02858 -79.1962 25.8344 146.771 25.8332 -161.837 GPRESSURE: 4618400 -39.7507 -87.0308 116.825 -33.9999 -19.4794 105.252 135.535 64.7673 -102.61 PRESSAVG: 4618400 16.7943 14.2518 -17.8704 14.2518 -13.1446 -7.0245 -17.8704 -7.02454 28.9901 GPRESSAVG: 4618400 16.4749 13.2252 -15.4725 13.6647 -13.9838 -7.35337 -22.8184 -6.86377 29.839 TIMING: 4618400 CPU: 13869.8, 0.00295473/step Wall: 13869.8, 0.00295473/step, 0.313202 hours remaining, 209.949219 MB of memory in use. ENERGY: 4618400 715.0723 2085.3763 1920.0967 103.3147 -205820.2012 17631.1259 0.0000 0.0000 34320.7942 -149044.4211 299.7320 -183365.2152 -148948.2741 299.2570 -88.0941 -53.9466 556424.8028 10.8799 10.7767 PRESSURE: 4618600 -414.335 -64.894 107.932 -64.8929 -300.942 46.1915 107.931 46.1912 -131.665 GPRESSURE: 4618600 -331.48 -52.0973 118.897 -155.999 -233.902 99.2047 88.025 58.055 -190.302 PRESSAVG: 4618600 -17.5816 30.1602 43.3251 30.1602 4.72274 44.7879 43.3251 44.7879 25.9238 GPRESSAVG: 4618600 -17.4923 29.6767 43.4605 29.2469 4.78241 44.7801 43.5816 45.3321 25.2472 TIMING: 4618600 CPU: 13870.3, 0.00292172/step Wall: 13870.3, 0.00292172/step, 0.30954 hours remaining, 210.019531 MB of memory in use. ENERGY: 4618600 751.4195 2052.4484 1938.6167 115.9211 -205531.8186 17297.6137 0.0000 0.0000 34415.9209 -148959.8783 300.5628 -183375.7992 -148876.0384 300.0490 -282.3141 -251.8948 556365.7786 4.3550 4.1791 PRESSURE: 4618800 148.717 6.98118 158.635 6.98178 -29.7413 38.6779 158.635 38.6787 -220.757 GPRESSURE: 4618800 153.08 -28.5542 89.2804 -26.4257 39.5641 -48.5195 183.398 75.9461 -192.369 PRESSAVG: 4618800 6.45459 2.04256 33.111 2.04244 40.1366 -20.2478 33.1112 -20.2477 -19.6037 GPRESSAVG: 4618800 7.17722 3.19658 31.4978 4.37249 41.0646 -19.0699 37.0225 -21.2761 -21.147 TIMING: 4618800 CPU: 13870.9, 0.00297671/step Wall: 13870.9, 0.00297671/step, 0.315201 hours remaining, 210.019531 MB of memory in use. ENERGY: 4618800 767.2951 2154.1852 1939.2906 118.3217 -206093.0594 17761.2086 0.0000 0.0000 34386.4730 -148966.2851 300.3056 -183352.7581 -148869.7521 300.7219 -33.9272 0.0919 557476.4207 8.9958 9.0316 PRESSURE: 4619000 245.842 37.3569 122.629 37.356 196.605 -77.7505 122.63 -77.7509 -147.86 GPRESSURE: 4619000 276.716 5.94453 70.058 122.449 194.021 -69.9867 122.026 -51.6475 -78.1862 PRESSAVG: 4619000 1.59796 -19.013 -1.2525 -19.013 32.9412 6.6701 -1.2525 6.67002 -28.4577 GPRESSAVG: 4619000 0.172811 -19.7266 0.354093 -19.456 32.5996 5.02637 -4.1942 7.03059 -26.2373 TIMING: 4619000 CPU: 13871.5, 0.00296929/step Wall: 13871.5, 0.00296929/step, 0.31425 hours remaining, 210.019531 MB of memory in use. ENERGY: 4619000 699.8684 2087.2951 1978.8649 127.9378 -205841.2475 17636.0762 0.0000 0.0000 34158.8780 -149152.3272 298.3180 -183311.2051 -149053.8227 299.7718 98.1957 130.8504 556975.3698 2.0271 2.1784 PRESSURE: 4619200 -63.1043 -155.951 -30.4319 -155.952 -40.1072 47.0253 -30.4323 47.0243 -74.1942 GPRESSURE: 4619200 -1.23143 -135.17 -42.661 -188.789 -73.5188 55.5999 -35.243 84.4007 5.76682 PRESSAVG: 4619200 35.7203 -22.6709 -5.63381 -22.6708 -43.2028 17.9022 -5.63389 17.9023 46.8991 GPRESSAVG: 4619200 36.9668 -20.5148 -1.98448 -24.5825 -42.6464 17.8568 -7.83165 16.8927 45.7186 TIMING: 4619200 CPU: 13872.1, 0.00295979/step Wall: 13872.1, 0.00295979/step, 0.31308 hours remaining, 210.019531 MB of memory in use. ENERGY: 4619200 756.4953 2046.1922 1952.6867 101.5590 -206093.0601 17669.5795 0.0000 0.0000 34357.4279 -149209.1195 300.0520 -183566.5474 -149112.0633 299.6386 -59.1352 -22.9945 556341.7751 13.1389 13.3463 PRESSURE: 4619400 -261.401 55.3944 -109.673 55.3959 -41.6238 -68.9257 -109.673 -68.9267 -262.389 GPRESSURE: 4619400 -209.591 -28.7597 -128.814 40.3461 -14.6679 -94.2927 -136.441 -48.0366 -240.769 PRESSAVG: 4619400 17.2317 -47.0005 -15.4902 -47.0006 12.5981 20.9864 -15.4902 20.9862 -25.1203 GPRESSAVG: 4619400 16.9926 -50.5984 -19.0675 -44.1904 11.1611 21.3704 -13.6253 21.8778 -23.8672 TIMING: 4619400 CPU: 13872.7, 0.0029368/step Wall: 13872.7, 0.0029368/step, 0.310485 hours remaining, 210.019531 MB of memory in use. ENERGY: 4619400 742.4500 2063.2682 1924.8811 108.0406 -205350.1705 17401.8252 0.0000 0.0000 34168.6547 -148941.0507 298.4034 -183109.7053 -148850.0952 300.5222 -188.4713 -155.0093 557834.2112 1.5698 1.4288 PRESSURE: 4619600 -10.8009 -9.3932 25.7316 -9.39384 63.7607 -76.1265 25.7324 -76.1254 -178.378 GPRESSURE: 4619600 -32.9335 -55.9282 23.2819 22.1123 125.361 -105.61 52.9925 -123.691 -122.931 PRESSAVG: 4619600 -0.227664 35.8814 -8.25001 35.8814 -1.82212 -15.5709 -8.25 -15.5708 -58.5796 GPRESSAVG: 4619600 0.361563 38.3639 -7.71198 35.0406 -1.81798 -15.2763 -7.29168 -15.3353 -58.9044 TIMING: 4619600 CPU: 13873.3, 0.00293721/step Wall: 13873.3, 0.00293721/step, 0.310366 hours remaining, 210.019531 MB of memory in use. ENERGY: 4619600 733.0885 2125.4542 1915.2243 111.1331 -205909.7753 17686.6531 0.0000 0.0000 34419.6527 -148918.5693 300.5954 -183338.2220 -148827.2361 299.3211 -41.8061 -10.1677 558875.2474 -20.2098 -20.1203 PRESSURE: 4619800 -251.436 56.9333 -79.2538 56.9337 -290.272 -62.4101 -79.2538 -62.4105 -145.94 GPRESSURE: 4619800 -253.439 79.3879 -196.751 115.184 -210.306 -66.7453 -78.3336 -75.5039 -126.564 PRESSAVG: 4619800 -37.8169 48.2221 -38.6726 48.2221 68.0012 -52.1184 -38.6726 -52.1185 8.09092 GPRESSAVG: 4619800 -40.1779 47.5264 -38.0014 49.141 69.4155 -51.6339 -39.6092 -53.2366 8.50742 TIMING: 4619800 CPU: 13873.9, 0.00296837/step Wall: 13873.9, 0.00296837/step, 0.313493 hours remaining, 210.019531 MB of memory in use. ENERGY: 4619800 783.6328 2097.5441 1925.7594 119.1157 -205575.4737 17397.5394 0.0000 0.0000 34323.6006 -148928.2816 299.7565 -183251.8823 -148828.1445 299.7356 -229.2164 -196.7697 558471.1634 12.7584 12.5817 PRESSURE: 4620000 -121.155 -14.3302 -86.4845 -14.3294 -107.951 -53.4153 -86.4845 -53.4155 -97.6311 GPRESSURE: 4620000 -85.6817 20.334 -81.1242 -10.9153 -96.8614 6.85202 -65.6892 -171.232 -46.4127 PRESSAVG: 4620000 21.5563 -3.74977 -1.56426 -3.74974 -14.6681 -18.9225 -1.56429 -18.9225 7.57403 GPRESSAVG: 4620000 22.6522 -1.68978 -2.70914 -6.09575 -14.4112 -21.8931 -0.331084 -16.7596 6.48344 TIMING: 4620000 CPU: 13874.5, 0.00299246/step Wall: 13874.5, 0.00299246/step, 0.315871 hours remaining, 210.019531 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: 4620000 735.2053 2094.6846 1947.7942 112.1490 -205693.2614 17618.9746 0.0000 0.0000 34288.7162 -148895.7376 299.4519 -183184.4538 -148803.4198 299.6669 -108.9123 -76.3186 559488.3195 4.8207 4.9082 PRESSURE: 4620200 -109.244 -200.161 -93.7636 -200.161 471.792 -140.777 -93.7644 -140.778 -134.642 GPRESSURE: 4620200 -54.7291 -194.592 -8.91404 -161.625 465.182 -152.307 -140.3 -144.269 -93.8458 PRESSAVG: 4620200 -8.64224 -37.316 62.1632 -37.3159 -12.3217 -30.083 62.1632 -30.0829 53.7981 GPRESSAVG: 4620200 -9.34315 -40.0395 62.3117 -34.5391 -12.8114 -27.8017 61.059 -33.5486 55.2874 TIMING: 4620200 CPU: 13875.1, 0.0029937/step Wall: 13875.1, 0.0029937/step, 0.315835 hours remaining, 210.222656 MB of memory in use. ENERGY: 4620200 738.9954 2041.2493 1912.7997 109.9348 -206090.1299 17986.7058 0.0000 0.0000 34293.0157 -149007.4291 299.4894 -183300.4448 -148910.7805 299.9279 75.9688 105.5356 558088.9894 10.9447 11.0443 LDB: ============= START OF LOAD BALANCING ============== 13878.6 LDB: ============== END OF LOAD BALANCING =============== 13878.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13878.6 LDB: ============= START OF LOAD BALANCING ============== 13878.9 LDB: Largest compute 4796 load 0.028284 is 23.9% of average load 0.118183 LDB: Average compute 0.001738 is 1.5% of average load 0.118183 LDB: TIME 13878.9 LOAD: AVG 0.118183 MAX 0.20613 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.078 MB LDB: TIME 13878.9 LOAD: AVG 0.118183 MAX 0.20613 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.078 MB LDB: TIME 13878.9 LOAD: AVG 0.118183 MAX 0.20613 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.078 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13878.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13878.9 PRESSURE: 4620400 -169.038 -87.6421 -64.9674 -87.6408 -56.8349 -16.0093 -64.9681 -16.0094 -295.545 GPRESSURE: 4620400 -105.676 -130.796 -86.9033 -52.4351 -42.6089 -66.116 -27.5551 29.3833 -269.889 PRESSAVG: 4620400 23.7304 -24.9631 -32.7342 -24.9631 -47.7577 -21.473 -32.7343 -21.4729 0.607216 GPRESSAVG: 4620400 23.2369 -24.4376 -31.5251 -28.6898 -47.0646 -24.2059 -31.4265 -17.4069 0.511762 TIMING: 4620400 CPU: 13875.7, 0.00301519/step Wall: 13875.7, 0.00301519/step, 0.317935 hours remaining, 208.976562 MB of memory in use. ENERGY: 4620400 756.7195 2150.3929 1923.5427 119.9478 -205829.6357 17543.2019 0.0000 0.0000 34242.6706 -149093.1603 299.0498 -183335.8309 -149000.5598 300.0300 -173.8061 -139.3916 558877.3299 -7.8067 -7.7720 PRESSURE: 4620600 10.5745 -35.3019 -49.1796 -35.3023 -45.9049 -137.893 -49.1796 -137.895 25.6645 GPRESSURE: 4620600 -6.84938 -118.831 -45.333 55.6792 -35.0578 -59.9608 -52.243 -122.007 131.902 PRESSAVG: 4620600 -18.366 25.5468 -27.5053 25.5468 -26.8866 24.5791 -27.5053 24.5791 22.9799 GPRESSAVG: 4620600 -17.185 26.9846 -27.4617 28.2627 -27.6996 26.4204 -27.9924 23.2506 23.0421 TIMING: 4620600 CPU: 13876.3, 0.00297241/step Wall: 13876.3, 0.00297241/step, 0.313259 hours remaining, 209.179688 MB of memory in use. ENERGY: 4620600 747.8748 2180.1879 1904.7458 109.4587 -205890.4581 17825.4857 0.0000 0.0000 34019.2570 -149103.4482 297.0986 -183122.7053 -149010.5842 299.2889 -3.2220 29.9983 559213.0194 -7.4242 -7.2808 PRESSURE: 4620800 107.366 -47.7354 -46.0276 -47.7363 426.388 -46.5505 -46.0265 -46.5508 247.564 GPRESSURE: 4620800 106.958 -9.0243 -61.1525 16.7187 491.392 -37.0033 -60.5267 -66.3682 280.263 PRESSAVG: 4620800 -12.7585 -2.48674 18.6087 -2.48683 53.3623 -80.8316 18.6087 -80.8316 -51.9748 GPRESSAVG: 4620800 -13.3531 -4.71856 16.4575 -1.3685 53.2454 -82.355 19.5472 -80.2609 -51.7881 TIMING: 4620800 CPU: 13876.9, 0.00297471/step Wall: 13876.9, 0.00297471/step, 0.313336 hours remaining, 209.382812 MB of memory in use. ENERGY: 4620800 750.2757 2150.4450 1907.9726 103.7082 -206472.9347 18380.9561 0.0000 0.0000 34238.4112 -148941.1659 299.0126 -183179.5771 -148842.7288 299.4459 260.4393 292.8712 559047.9998 -3.7903 -3.9653 PRESSURE: 4621000 -50.3604 -84.6291 -57.1563 -84.628 -54.2942 -79.3743 -57.1574 -79.3737 -103.635 GPRESSURE: 4621000 -43.9048 -42.2696 -27.4254 -74.2111 -32.5451 -74.7926 -61.5512 -76.3316 -35.716 PRESSAVG: 4621000 86.7797 -33.6726 -27.7682 -33.6725 -41.3854 -30.9015 -27.7681 -30.9015 -26.4841 GPRESSAVG: 4621000 87.3358 -32.9081 -25.1961 -35.3771 -40.4273 -27.5137 -28.6048 -31.4356 -28.3418 TIMING: 4621000 CPU: 13877.5, 0.00298092/step Wall: 13877.5, 0.00298092/step, 0.313825 hours remaining, 209.382812 MB of memory in use. ENERGY: 4621000 731.9158 2114.5553 1942.8246 99.2345 -205719.1529 17725.6869 0.0000 0.0000 34171.0961 -148933.8398 298.4247 -183104.9359 -148833.2634 299.4020 -69.4297 -37.3886 561280.5083 6.3034 6.1889 PRESSURE: 4621200 -28.8701 -8.34511 -48.183 -8.34603 -218.77 149.978 -48.1829 149.976 -26.5103 GPRESSURE: 4621200 -80.0293 50.2213 -131.723 -23.0517 -155.858 175.214 32.6252 122.767 63.9805 PRESSAVG: 4621200 21.4105 -16.2437 -22.799 -16.2437 -15.6069 45.4948 -22.7989 45.4948 -3.07163 GPRESSAVG: 4621200 20.8426 -15.2948 -24.6831 -17.3534 -15.2742 42.7167 -22.2664 46.509 -2.25208 TIMING: 4621200 CPU: 13878.1, 0.00296822/step Wall: 13878.1, 0.00296822/step, 0.312323 hours remaining, 209.382812 MB of memory in use. ENERGY: 4621200 777.6856 2117.7301 1927.5599 109.7091 -206153.3932 17828.8606 0.0000 0.0000 34460.1771 -148931.6708 300.9493 -183391.8480 -148828.8260 299.9707 -91.3833 -57.3022 558436.7849 0.9107 1.1055 PRESSURE: 4621400 9.17496 -72.1627 -163.359 -72.1623 152.582 -136.96 -163.36 -136.962 -152.001 GPRESSURE: 4621400 18.1431 -21.7543 -133.482 -53.0745 144.668 -159.975 -112.637 -58.3474 -58.9877 PRESSAVG: 4621400 -25.2247 -34.5994 30.6404 -34.5993 -4.42357 40.8635 30.6404 40.8636 64.8532 GPRESSAVG: 4621400 -24.2279 -35.743 31.2297 -34.0857 -5.45182 41.8579 29.4774 39.0073 65.5434 TIMING: 4621400 CPU: 13878.7, 0.00294858/step Wall: 13878.7, 0.00294858/step, 0.310092 hours remaining, 209.382812 MB of memory in use. ENERGY: 4621400 780.9234 2072.5432 1919.1028 110.3698 -206159.5609 17832.8839 0.0000 0.0000 34430.8814 -149012.8564 300.6935 -183443.7379 -148915.7719 300.5401 3.2519 34.6080 556410.2723 11.7350 11.9546 PRESSURE: 4621600 -80.0745 80.9935 -124.322 80.9934 -269.3 63.2887 -124.322 63.2913 396.042 GPRESSURE: 4621600 -59.9417 -25.1387 -123.634 161.565 -215.11 91.5567 -173.376 72.2086 412.744 PRESSAVG: 4621600 -49.3831 19.1655 35.6243 19.1654 1.08444 -30.5831 35.6243 -30.583 50.1087 GPRESSAVG: 4621600 -49.8614 19.802 36.4863 19.0334 2.12244 -30.3208 34.9731 -28.8572 48.88 TIMING: 4621600 CPU: 13879.3, 0.00295038/step Wall: 13879.3, 0.00295038/step, 0.310118 hours remaining, 209.382812 MB of memory in use. ENERGY: 4621600 727.7826 2140.9325 1920.7124 107.1949 -206136.2345 17786.0744 0.0000 0.0000 34371.8432 -149081.6945 300.1779 -183453.5378 -148985.6541 300.0526 15.5556 45.8973 557355.6952 0.6033 0.3803 PRESSURE: 4621800 -89.3643 20.2898 34.628 20.291 182.979 111.026 34.6291 111.027 126.247 GPRESSURE: 4621800 -1.68731 36.4336 77.0359 38.3699 201.688 203.531 29.6624 56.843 125.997 PRESSAVG: 4621800 -66.0233 -8.77061 -53.2861 -8.77059 -0.864647 11.1001 -53.2861 11.1001 97.8991 GPRESSAVG: 4621800 -66.6801 -7.86292 -53.1046 -8.14417 -1.66476 9.04189 -53.5965 8.40375 99.6291 TIMING: 4621800 CPU: 13879.8, 0.00294676/step Wall: 13879.8, 0.00294676/step, 0.309574 hours remaining, 209.382812 MB of memory in use. ENERGY: 4621800 761.6824 2100.7537 1913.9401 114.7017 -206435.9475 18053.8380 0.0000 0.0000 34375.9414 -149115.0901 300.2136 -183491.0315 -149024.3663 299.8776 73.2872 108.6659 557249.3419 10.3370 10.4281 PRESSURE: 4622000 -1.08277 32.4698 49.2043 32.4694 -41.8097 128.971 49.2036 128.971 -198.461 GPRESSURE: 4622000 10.5793 34.8904 11.2278 35.7125 -62.5875 67.2912 41.5695 111.152 -100.116 PRESSAVG: 4622000 -83.0111 21.7675 -35.8638 21.7676 34.2598 28.315 -35.8638 28.3151 44.0984 GPRESSAVG: 4622000 -82.9426 23.2578 -38.0266 21.8019 35.5345 28.803 -33.0507 29.5194 43.6118 TIMING: 4622000 CPU: 13880.4, 0.00295782/step Wall: 13880.4, 0.00295782/step, 0.310571 hours remaining, 209.382812 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: 4622000 754.5988 2107.3607 1897.6973 110.5597 -205698.1324 17545.1169 0.0000 0.0000 34091.4269 -149191.3721 297.7289 -183282.7991 -149095.1422 299.1024 -80.4512 -50.7081 556425.8751 -1.5510 -1.2654 PRESSURE: 4622200 -91.8098 -172.147 -113.809 -172.148 21.0859 45.7696 -113.807 45.768 -48.7232 GPRESSURE: 4622200 -51.9124 -131.089 -197.046 -121.956 52.646 74.8534 -26.1018 -7.02574 -34.3842 PRESSAVG: 4622200 -79.4265 -5.8856 -17.9316 -5.88549 41.8035 4.47433 -17.9316 4.4744 2.98204 GPRESSAVG: 4622200 -78.9893 -7.28281 -16.0917 -6.08169 40.7691 6.71283 -20.4049 5.35132 3.65466 TIMING: 4622200 CPU: 13881, 0.00296473/step Wall: 13881, 0.00296473/step, 0.311132 hours remaining, 209.382812 MB of memory in use. ENERGY: 4622200 758.2453 2059.3999 1927.8661 100.6692 -205949.8300 17771.5388 0.0000 0.0000 34217.0191 -149115.0916 298.8257 -183332.1107 -149020.8140 299.6450 -39.8157 -11.2169 557225.8299 -11.5470 -11.5218 PRESSURE: 4622400 -2.59019 27.8507 -36.0392 27.8517 426.878 12.6806 -36.0399 12.6804 269.543 GPRESSURE: 4622400 32.6219 -17.5631 3.51312 45.0238 456.024 -17.464 -91.872 -2.5984 302.581 PRESSAVG: 4622400 -49.4577 -33.095 -8.82493 -33.095 83.8695 37.215 -8.82485 37.215 24.0057 GPRESSAVG: 4622400 -47.6302 -34.2819 -7.14344 -31.352 84.1367 36.5113 -10.8363 37.429 22.4469 TIMING: 4622400 CPU: 13881.6, 0.00298681/step Wall: 13881.6, 0.0029868/step, 0.313283 hours remaining, 209.382812 MB of memory in use. ENERGY: 4622400 721.9422 2145.0310 1913.9067 107.9160 -206649.4161 18054.8301 0.0000 0.0000 34565.9905 -149139.7995 301.8734 -183705.7901 -149042.5329 300.0669 231.2769 263.7421 556086.1955 19.4725 19.6511 PRESSURE: 4622600 362.968 59.3579 14.1354 59.3573 -60.7288 165.838 14.1361 165.838 136.678 GPRESSURE: 4622600 357.906 7.59827 44.9939 73.8668 11.8976 208.554 -33.2845 188.796 166.129 PRESSAVG: 4622600 -13.1847 33.2188 -16.3233 33.2188 51.6166 38.1632 -16.3234 38.1632 -26.9316 GPRESSAVG: 4622600 -13.9097 34.5426 -19.225 31.5819 51.5073 38.4726 -13.7436 36.4237 -25.8734 TIMING: 4622600 CPU: 13882.2, 0.00299224/step Wall: 13882.2, 0.00299224/step, 0.313687 hours remaining, 209.382812 MB of memory in use. ENERGY: 4622600 714.9708 2135.5135 1898.5503 122.4655 -206356.6059 18020.0905 0.0000 0.0000 34383.0105 -149082.0048 300.2754 -183465.0153 -148985.1070 299.5100 146.3057 178.6442 557843.1151 3.8334 3.9081 PRESSURE: 4622800 -10.7031 -132.284 118.523 -132.284 -21.8365 -22.1 118.522 -22.1012 21.5042 GPRESSURE: 4622800 61.1254 -31.0428 75.5468 -166.096 -23.7518 -64.1792 150.722 82.2772 48.0052 PRESSAVG: 4622800 -43.4909 -36.6666 15.352 -36.6666 34.3689 25.6047 15.3521 25.6046 -26.6023 GPRESSAVG: 4622800 -43.3299 -35.4914 15.6251 -37.0156 33.41 25.5839 14.3343 27.6023 -25.783 TIMING: 4622800 CPU: 13882.8, 0.00298141/step Wall: 13882.8, 0.00298141/step, 0.312385 hours remaining, 209.382812 MB of memory in use. ENERGY: 4622800 754.2920 2062.5184 1955.0007 117.1161 -206195.9256 17834.3460 0.0000 0.0000 34405.0049 -149067.6474 300.4675 -183472.6523 -148975.3197 299.8989 -3.6785 28.4596 559115.9823 -11.9081 -11.9010 PRESSURE: 4623000 -270.427 20.3388 -22.3801 20.3374 -159.228 -35.735 -22.3797 -35.7368 -117.946 GPRESSURE: 4623000 -226.682 -45.479 -22.7985 -57.6964 -192.626 22.0078 12.6713 93.5093 -47.144 PRESSAVG: 4623000 -18.3854 -42.5834 10.1588 -42.5834 -58.7415 -6.90276 10.1589 -6.9027 59.802 GPRESSAVG: 4623000 -18.5008 -43.8944 11.3772 -42.6739 -57.7232 -6.45095 10.89 -5.7329 58.3839 TIMING: 4623000 CPU: 13883.4, 0.00300434/step Wall: 13883.4, 0.00300434/step, 0.314621 hours remaining, 209.382812 MB of memory in use. ENERGY: 4623000 733.8677 2117.6448 1919.5001 123.7696 -205780.6577 17476.4857 0.0000 0.0000 34313.2148 -149096.1750 299.6658 -183409.3898 -148997.2478 300.2179 -182.5337 -155.4840 558520.8621 -5.7749 -5.9467 PRESSURE: 4623200 -11.0899 37.6648 -87.7283 37.6654 271.508 64.2401 -87.7284 64.2398 -25.6759 GPRESSURE: 4623200 -4.00813 -48.1609 -153.859 82.8691 287.737 40.3319 -53.9478 120.229 40.1895 PRESSAVG: 4623200 -29.6972 -19.7641 28.5393 -19.7642 -5.52068 3.64465 28.5393 3.64475 34.5504 GPRESSAVG: 4623200 -29.0828 -21.4225 28.1265 -17.6642 -6.2617 1.46007 28.1625 2.67262 35.1941 TIMING: 4623200 CPU: 13884, 0.00299645/step Wall: 13884, 0.00299645/step, 0.313629 hours remaining, 209.382812 MB of memory in use. ENERGY: 4623200 767.3574 2089.0433 1944.5830 104.3461 -206150.8368 17898.4415 0.0000 0.0000 34288.1421 -149058.9235 299.4469 -183347.0655 -148962.0187 299.3548 78.2475 107.9729 558662.7911 -0.2225 -0.0501 PRESSURE: 4623400 -81.9752 -49.529 -28.972 -49.5273 -52.0113 -81.4153 -28.9726 -81.4169 53.7306 GPRESSURE: 4623400 -9.57094 -71.2395 11.2122 8.09831 -23.5053 -109.562 8.14646 -145.893 66.1748 PRESSAVG: 4623400 4.54049 59.5581 35.84 59.5582 -19.7142 -28.1648 35.84 -28.1648 21.5309 GPRESSAVG: 4623400 4.76691 62.7798 36.7461 57.0165 -18.4152 -28.9882 34.9715 -27.2595 20.3501 TIMING: 4623400 CPU: 13884.6, 0.0029924/step Wall: 13884.6, 0.0029924/step, 0.313038 hours remaining, 209.382812 MB of memory in use. ENERGY: 4623400 772.6513 2065.5008 1940.8869 103.7171 -206354.5521 17989.9981 0.0000 0.0000 34208.3923 -149273.4056 298.7504 -183481.7979 -149176.6135 299.7192 -26.7520 11.0329 558972.6407 2.1191 2.2339 PRESSURE: 4623600 65.6256 -78.9217 40.7705 -78.9201 -162.421 1.51885 40.7714 1.51884 176.783 GPRESSURE: 4623600 31.9935 -45.5018 77.7408 -128.626 -90.98 -20.8349 23.3377 -17.2191 237.724 PRESSAVG: 4623600 5.31646 -10.2527 -26.9103 -10.2527 10.6461 -35.8156 -26.9104 -35.8157 -2.25302 GPRESSAVG: 4623600 5.53972 -10.3326 -29.3791 -9.81546 9.79166 -34.1607 -26.2273 -37.2305 -1.49731 TIMING: 4623600 CPU: 13885.2, 0.00298862/step Wall: 13885.2, 0.00298862/step, 0.312477 hours remaining, 209.382812 MB of memory in use. ENERGY: 4623600 757.7276 2104.5183 1950.8069 110.2096 -206165.7975 17817.9456 0.0000 0.0000 34139.8264 -149284.7630 298.1516 -183424.5894 -149186.7300 299.0834 26.6625 59.5791 557675.9613 4.5699 4.6114 PRESSURE: 4623800 191.496 -213.221 -96.9742 -213.223 -76.1496 34.2454 -96.9756 34.2457 57.5597 GPRESSURE: 4623800 243.395 -146.096 -73.1273 -240.163 -70.0199 3.03278 -110.937 49.0516 89.8127 PRESSAVG: 4623800 -44.6591 -43.6681 -1.60643 -43.6681 -45.1756 12.6255 -1.6065 12.6253 66.2166 GPRESSAVG: 4623800 -44.999 -45.6303 -0.151756 -42.9768 -45.6954 15.5095 0.812216 10.1407 66.7883 TIMING: 4623800 CPU: 13885.8, 0.00302358/step Wall: 13885.8, 0.00302358/step, 0.315964 hours remaining, 209.382812 MB of memory in use. ENERGY: 4623800 788.7190 2110.6283 1933.2161 118.0999 -206568.4537 18045.9638 0.0000 0.0000 34206.6292 -149365.1973 298.7350 -183571.8265 -149273.1197 299.3752 57.6352 87.7293 558159.4418 -7.8727 -7.9687 PRESSURE: 4624000 57.9164 -171.701 8.75423 -171.701 -1.77951 255.714 8.75417 255.715 -178.317 GPRESSURE: 4624000 95.2228 -151.355 -31.1477 -130.414 55.6336 123.853 86.3237 273.232 -163.277 PRESSAVG: 4624000 18.5892 -28.6641 -19.8047 -28.664 35.5666 3.42487 -19.8046 3.42486 -47.4152 GPRESSAVG: 4624000 18.0038 -29.4917 -18.5109 -26.8813 36.0219 0.620287 -22.7293 5.1009 -47.1302 TIMING: 4624000 CPU: 13886.4, 0.00300301/step Wall: 13886.4, 0.00300301/step, 0.313648 hours remaining, 209.382812 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: 4624000 726.0275 2091.6013 1930.2528 115.3060 -206511.7475 17799.0785 0.0000 0.0000 34188.7961 -149660.6854 298.5793 -183849.4814 -149559.7973 299.0515 -40.7266 -4.1402 557764.5920 2.2468 2.2985 PRESSURE: 4624200 45.03 -74.2194 114.861 -74.2187 169.192 -3.76428 114.861 -3.76416 89.7335 GPRESSURE: 4624200 34.5211 -65.3446 109.708 -72.1619 219.367 26.2117 137.707 -73.7412 147.332 PRESSAVG: 4624200 -36.4944 -33.37 -52.9793 -33.37 86.603 18.9738 -52.9793 18.9737 -41.8067 GPRESSAVG: 4624200 -36.1702 -33.5157 -52.6634 -33.721 87.5379 19.7542 -52.879 18.2051 -42.9418 TIMING: 4624200 CPU: 13887, 0.00301057/step Wall: 13887, 0.00301057/step, 0.31427 hours remaining, 209.382812 MB of memory in use. ENERGY: 4624200 726.6625 2101.0144 1944.3864 103.4931 -206804.0534 18040.8095 0.0000 0.0000 34268.0565 -149619.6310 299.2715 -183887.6875 -149525.6012 298.9330 101.3184 133.7401 558129.1444 2.7673 2.8086 LDB: ============= START OF LOAD BALANCING ============== 13890.5 LDB: ============== END OF LOAD BALANCING =============== 13890.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13890.5 LDB: ============= START OF LOAD BALANCING ============== 13890.8 LDB: Largest compute 4796 load 0.029292 is 24.8% of average load 0.118205 LDB: Average compute 0.001730 is 1.5% of average load 0.118205 LDB: TIME 13890.9 LOAD: AVG 0.118205 MAX 0.211886 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.723 MB LDB: TIME 13890.9 LOAD: AVG 0.118205 MAX 0.211886 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.965 MB LDB: TIME 13890.9 LOAD: AVG 0.118205 MAX 0.211886 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.965 MB LDB: ============== END OF LOAD BALANCING =============== 13890.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13890.9 PRESSURE: 4624400 -66.7398 -70.2733 82.9128 -70.2739 -99.4653 110.009 82.913 110.007 139.694 GPRESSURE: 4624400 -90.168 -47.0498 88.4463 -100.046 -54.0135 181.353 112.66 112.526 219.869 PRESSAVG: 4624400 -55.7201 28.5095 57.122 28.5095 42.2677 47.1007 57.122 47.1007 -54.6072 GPRESSAVG: 4624400 -56.9438 30.4122 56.0173 25.5235 43.2892 46.1396 58.2632 48.195 -54.7375 TIMING: 4624400 CPU: 13887.6, 0.00308787/step Wall: 13887.6, 0.00308787/step, 0.322168 hours remaining, 210.007812 MB of memory in use. ENERGY: 4624400 737.0006 2097.1456 1933.8648 116.9105 -206501.9290 18038.4955 0.0000 0.0000 34017.9057 -149560.6063 297.0868 -183578.5120 -149461.2119 298.9897 -8.8370 25.2291 558756.0272 -22.6865 -22.7974 PRESSURE: 4624600 -228.723 -191.64 94.8664 -191.641 -10.7774 41.1267 94.8662 41.1254 -8.93737 GPRESSURE: 4624600 -236.415 -147.261 131.765 -255.578 24.8512 57.6726 -9.09499 -2.88001 47.0133 PRESSAVG: 4624600 -56.4435 5.05789 10.9793 5.05798 29.725 22.0558 10.9794 22.0558 31.8775 GPRESSAVG: 4624600 -55.8112 5.33554 12.1186 5.71975 28.5466 23.4211 10.3216 20.3903 31.9759 TIMING: 4624600 CPU: 13888.2, 0.00301791/step Wall: 13888.2, 0.00301791/step, 0.314701 hours remaining, 210.210938 MB of memory in use. ENERGY: 4624600 774.4275 2086.9271 1944.5099 96.2679 -206491.3057 17869.8436 0.0000 0.0000 34093.6451 -149625.6846 297.7483 -183719.3296 -149525.1183 299.4281 -82.8127 -54.8503 557207.6100 1.7197 1.5704 PRESSURE: 4624800 -121.777 33.3133 31.2019 33.3146 -59.6692 190.64 31.2005 190.64 -92.6898 GPRESSURE: 4624800 -142.521 33.5966 33.4374 21.7817 -33.7332 204.413 114.033 176.037 -11.1786 PRESSAVG: 4624800 -59.9889 -32.8598 -3.5063 -32.8599 -32.796 42.1307 -3.50625 42.1307 37.7989 GPRESSAVG: 4624800 -60.4664 -34.8087 -3.02878 -32.5609 -33.7164 40.8712 -4.17301 45.9648 38.768 TIMING: 4624800 CPU: 13888.8, 0.00298288/step Wall: 13888.8, 0.00298288/step, 0.310882 hours remaining, 210.210938 MB of memory in use. ENERGY: 4624800 755.4659 2133.2109 1937.3131 108.8517 -206402.2371 17515.0616 0.0000 0.0000 34326.0366 -149626.2973 299.7778 -183952.3339 -149528.2471 298.8153 -91.3786 -62.4777 557501.7357 -18.3287 -18.4716 PRESSURE: 4625000 -217.357 177.647 134.335 177.647 -223.845 84.2334 134.333 84.2328 -215.543 GPRESSURE: 4625000 -240.776 127.137 183.58 137.894 -148.469 103.12 152.791 81.5825 -179.161 PRESSAVG: 4625000 -37.3956 13.861 -19.9481 13.8608 -49.7877 11.4574 -19.9481 11.4573 119.669 GPRESSAVG: 4625000 -38.8228 13.9034 -21.2265 16.1434 -49.4939 9.67085 -19.1354 10.2924 120.698 TIMING: 4625000 CPU: 13889.4, 0.00301165/step Wall: 13889.4, 0.00301165/step, 0.313714 hours remaining, 210.210938 MB of memory in use. ENERGY: 4625000 795.1918 2137.5936 1918.2588 109.5761 -206163.3673 17713.9118 0.0000 0.0000 33912.4597 -149576.3754 296.1659 -183488.8351 -149485.1815 298.4318 -218.9148 -189.4688 558441.4233 10.8284 10.7938 PRESSURE: 4625200 -79.5035 -42.0443 32.2584 -42.0427 334.484 -137.114 32.2583 -137.115 -106.864 GPRESSURE: 4625200 -46.2352 -23.8219 20.1444 -58.2292 368.369 -89.5718 12.2205 -117.703 -70.9428 PRESSAVG: 4625200 -11.6999 32.9811 24.0157 32.9812 -17.7341 17.1778 24.0157 17.1779 4.59485 GPRESSAVG: 4625200 -8.85128 33.0586 23.9215 29.6317 -18.7358 20.1855 23.8741 15.908 2.63869 TIMING: 4625200 CPU: 13890, 0.00297295/step Wall: 13890, 0.00297295/step, 0.309517 hours remaining, 210.210938 MB of memory in use. ENERGY: 4625200 758.8390 2011.9781 1930.1650 99.9424 -206541.6013 18016.6621 0.0000 0.0000 34197.3361 -149526.6786 298.6538 -183724.0147 -149433.2440 298.2700 49.3722 83.7304 556651.4552 -8.2797 -8.3161 PRESSURE: 4625400 -32.5607 -34.1974 -29.315 -34.199 -189.589 -225.257 -29.3158 -225.258 -131.388 GPRESSURE: 4625400 5.93422 -67.4147 -23.1071 64.2942 -197.002 -276.518 22.8645 -215.311 -62.1598 PRESSAVG: 4625400 13.218 7.24031 -6.93075 7.24027 24.1364 -24.2259 -6.93064 -24.2259 -23.9235 GPRESSAVG: 4625400 12.224 7.04462 -7.74525 8.44138 24.803 -24.7998 -7.00286 -23.353 -23.3468 TIMING: 4625400 CPU: 13890.6, 0.0029374/step Wall: 13890.6, 0.0029374/step, 0.305653 hours remaining, 210.277344 MB of memory in use. ENERGY: 4625400 741.0658 2047.8213 1945.6020 114.1264 -206499.2777 17846.8893 0.0000 0.0000 34226.8456 -149576.9273 298.9116 -183803.7729 -149485.5142 298.6304 -117.8458 -84.4093 557907.6878 4.4770 4.5601 PRESSURE: 4625600 44.9268 -27.5429 38.6734 -27.5414 -50.2127 -12.1136 38.6742 -12.1136 130.732 GPRESSURE: 4625600 98.9562 9.27954 72.2961 -99.4567 -18.1557 63.4722 51.518 -30.6642 137.562 PRESSAVG: 4625600 19.5056 -35.072 -20.9333 -35.0721 -20.7291 -13.8137 -20.9333 -13.8136 -2.10311 GPRESSAVG: 4625600 18.9779 -34.5968 -19.9105 -35.2385 -20.7095 -13.6591 -21.9619 -15.0944 -1.90369 TIMING: 4625600 CPU: 13891.2, 0.00296103/step Wall: 13891.2, 0.00296103/step, 0.307947 hours remaining, 210.277344 MB of memory in use. ENERGY: 4625600 713.6181 2104.3255 1928.1448 110.1416 -206419.2773 17956.8659 0.0000 0.0000 33965.2434 -149640.9380 296.6269 -183606.1813 -149550.5361 297.5176 41.8155 72.7875 557616.2319 -1.1089 -1.2117 PRESSURE: 4625800 180.68 80.7236 131.375 80.7244 74.9442 -112.495 131.375 -112.497 -38.1855 GPRESSURE: 4625800 253.116 118.072 56.8521 52.6637 68.1955 -150.076 181.686 -166.627 -13.2287 PRESSAVG: 4625800 12.3041 -64.5452 26.7862 -64.5453 -34.9024 -40.3562 26.7862 -40.3562 15.6119 GPRESSAVG: 4625800 12.7959 -65.5916 26.1928 -64.6592 -33.7241 -40.598 27.1241 -39.1036 14.3845 TIMING: 4625800 CPU: 13891.8, 0.00295231/step Wall: 13891.8, 0.00295231/step, 0.306876 hours remaining, 210.277344 MB of memory in use. ENERGY: 4625800 762.8610 2090.4270 1929.3135 130.1730 -206733.5499 18116.7751 0.0000 0.0000 34283.9246 -149420.0756 299.4100 -183704.0003 -149326.7388 298.0034 72.4796 102.6944 557613.8405 -2.3288 -2.1812 PRESSURE: 4626000 -0.0879538 -168.006 15.4575 -168.007 -68.7547 -78.6402 15.4584 -78.6407 -226.66 GPRESSURE: 4626000 45.8601 -121.364 45.3347 -155.291 -8.71945 49.1156 53.0477 -97.2499 -237.788 PRESSAVG: 4626000 77.7033 -24.799 1.39908 -24.7991 2.76579 -55.2972 1.39916 -55.2973 -33.5452 GPRESSAVG: 4626000 78.7988 -24.0009 1.3341 -22.6913 1.77472 -57.4778 4.07267 -54.596 -33.8252 TIMING: 4626000 CPU: 13892.4, 0.00296131/step Wall: 13892.4, 0.00296131/step, 0.307647 hours remaining, 210.277344 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: 4626000 725.2986 2087.3071 1978.8659 100.5704 -206235.0900 17700.1816 0.0000 0.0000 34317.3827 -149325.4837 299.7022 -183642.8664 -149231.4026 298.8682 -98.5007 -66.8825 556979.1839 15.6413 15.5828 PRESSURE: 4626200 -40.948 25.698 -46.5098 25.6994 143.174 -126.091 -46.5106 -126.092 25.1953 GPRESSURE: 4626200 0.500881 31.6731 62.6967 53.2551 163.415 -116.512 -62.3657 -32.0943 66.7599 PRESSAVG: 4626200 -40.4937 17.3757 59.0015 17.3756 2.03243 13.7343 59.0015 13.7343 49.9962 GPRESSAVG: 4626200 -41.4028 17.6671 60.0169 17.9137 2.65309 16.6824 56.9951 14.3036 50.4918 TIMING: 4626200 CPU: 13893, 0.00298789/step Wall: 13893, 0.00298789/step, 0.310243 hours remaining, 210.277344 MB of memory in use. ENERGY: 4626200 733.9565 2050.2469 1896.1525 124.1226 -206539.7985 17987.3385 0.0000 0.0000 34449.4870 -149298.4946 300.8559 -183747.9816 -149203.4366 299.1981 42.4738 76.8921 558039.5611 3.8450 3.9141 PRESSURE: 4626400 -171.479 -89.8754 -43.7096 -89.8774 -186.402 -150.501 -43.7107 -150.499 126.531 GPRESSURE: 4626400 -87.0544 -66.2445 -44.2727 -81.2865 -166.617 -177.218 -54.3115 -177.238 128.072 PRESSAVG: 4626400 -37.5674 -16.2068 -14.2826 -16.2068 -9.22931 -30.5916 -14.2826 -30.5916 63.5813 GPRESSAVG: 4626400 -37.8814 -15.6343 -15.6109 -16.7253 -9.73041 -29.9873 -13.4898 -30.5628 64.7647 TIMING: 4626400 CPU: 13893.6, 0.00295266/step Wall: 13893.6, 0.00295266/step, 0.30642 hours remaining, 210.277344 MB of memory in use. ENERGY: 4626400 745.9309 2069.3181 1926.1018 104.3956 -206408.3707 17972.1305 0.0000 0.0000 34105.7024 -149484.7913 297.8536 -183590.4937 -149389.8369 298.1733 -77.1169 -41.8665 558339.7509 5.5949 5.7176 PRESSURE: 4626600 76.66 -60.6037 97.6465 -60.602 -284.218 -24.1268 97.6449 -24.1244 -12.4825 GPRESSURE: 4626600 89.6544 -38.1959 132.024 -60.3519 -245.995 -48.7609 80.5107 -27.0849 30.623 PRESSAVG: 4626600 26.4829 -26.9789 31.4639 -26.9788 -30.5932 -17.7487 31.4638 -17.7487 50.8246 GPRESSAVG: 4626600 26.6967 -26.8388 32.4718 -28.1284 -29.8128 -18.4589 31.6815 -19.0544 49.5857 TIMING: 4626600 CPU: 13894.2, 0.00299417/step Wall: 13894.2, 0.00299417/step, 0.310562 hours remaining, 210.277344 MB of memory in use. ENERGY: 4626600 750.5735 2060.1611 1915.7554 118.0408 -206656.0212 17878.0265 0.0000 0.0000 34337.4538 -149596.0102 299.8775 -183933.4640 -149500.4847 298.6060 -73.3467 -41.9057 557040.3603 15.5714 15.4899 PRESSURE: 4626800 1.25199 70.5563 -76.7629 70.5571 54.8844 16.6476 -76.7615 16.6461 -103.146 GPRESSURE: 4626800 27.1901 -15.7528 -87.8317 139.595 119.856 52.6271 -89.1529 86.7715 -96.3303 PRESSAVG: 4626800 2.50333 40.2067 10.291 40.2067 4.91411 -0.381715 10.291 -0.381634 -12.5629 GPRESSAVG: 4626800 2.66889 40.3748 10.9592 40.6567 3.6855 -2.79991 10.1317 -0.0464881 -11.2494 TIMING: 4626800 CPU: 13894.8, 0.00297105/step Wall: 13894.8, 0.00297105/step, 0.307999 hours remaining, 210.277344 MB of memory in use. ENERGY: 4626800 734.5461 2088.8093 1947.0819 123.9288 -206069.7383 17733.2995 0.0000 0.0000 33982.4716 -149459.6013 296.7774 -183442.0729 -149368.3182 298.2685 -15.6700 16.9053 557673.7929 -1.7151 -1.6317 PRESSURE: 4627000 -8.18184 -43.3756 -11.889 -43.3758 -134.51 6.64736 -11.8887 6.64785 35.6423 GPRESSURE: 4627000 8.14223 -105.616 100.403 -49.7232 -110.155 1.22061 -106.016 -25.7547 88.7338 PRESSAVG: 4627000 12.1311 -12.9518 7.14666 -12.9517 -0.143337 -40.7122 7.14671 -40.7122 10.1069 GPRESSAVG: 4627000 10.5909 -12.1899 5.81544 -13.8696 -0.0404516 -38.9101 6.13476 -40.2905 10.6271 TIMING: 4627000 CPU: 13895.4, 0.00297654/step Wall: 13895.4, 0.00297654/step, 0.308402 hours remaining, 210.277344 MB of memory in use. ENERGY: 4627000 745.0593 2119.3183 1936.9049 120.9622 -206553.7586 17801.5629 0.0000 0.0000 34266.3997 -149563.5514 299.2570 -183829.9511 -149472.6591 298.7027 -35.6831 -4.4264 557118.6559 7.3649 7.0592 PRESSURE: 4627200 63.22 -35.9655 32.7686 -35.9664 -21.2521 129.95 32.7685 129.95 118.999 GPRESSURE: 4627200 86.9506 37.4071 -3.92574 -2.33607 32.5439 166.967 84.3097 192.24 144.536 PRESSAVG: 4627200 -22.767 -56.9706 -49.7727 -56.9706 0.541186 -5.6297 -49.7726 -5.62961 14.2431 GPRESSAVG: 4627200 -21.6233 -56.0327 -50.6449 -57.0514 -0.116474 -6.78591 -47.8105 -3.48531 13.4213 TIMING: 4627200 CPU: 13896, 0.00297423/step Wall: 13896, 0.00297423/step, 0.307998 hours remaining, 210.277344 MB of memory in use. ENERGY: 4627200 776.3911 2066.2726 1908.1314 105.2306 -206514.5677 17957.9428 0.0000 0.0000 34158.4806 -149542.1186 298.3145 -183700.5992 -149448.7298 298.1715 53.6555 88.0102 557804.5319 -2.6609 -2.7728 PRESSURE: 4627400 126.013 -59.7696 -92.2256 -59.7689 54.9304 105.699 -92.2247 105.698 -17.7192 GPRESSURE: 4627400 91.3841 -58.5785 -93.7701 -78.2439 152.012 42.6686 -48.8711 80.2672 17.1804 PRESSAVG: 4627400 22.44 -2.13086 -55.8452 -2.13081 44.7778 -39.364 -55.8452 -39.364 -6.09698 GPRESSAVG: 4627400 21.2995 -2.49231 -53.4611 0.364098 45.6851 -38.3348 -59.2249 -42.1042 -5.47592 TIMING: 4627400 CPU: 13896.6, 0.00299119/step Wall: 13896.6, 0.00299119/step, 0.309588 hours remaining, 210.277344 MB of memory in use. ENERGY: 4627400 758.8090 2048.5868 1967.2110 110.3644 -206499.3097 17867.4122 0.0000 0.0000 34123.5569 -149623.3695 298.0095 -183746.9264 -149534.6298 298.0465 54.4082 86.8588 557268.6146 20.3736 20.5029 PRESSURE: 4627600 335.524 -69.7499 5.28819 -69.7495 99.563 -81.8106 5.28828 -81.8105 209.021 GPRESSURE: 4627600 359.721 -63.9998 -20.9721 -83.1318 115.944 -92.7443 77.8983 -27.7934 271.184 PRESSAVG: 4627600 -47.3453 -34.5702 -19.9957 -34.5702 42.0281 -37.6718 -19.9956 -37.6719 27.5086 GPRESSAVG: 4627600 -46.8229 -34.2381 -20.5 -36.7311 41.2439 -38.6204 -19.9761 -36.7353 27.6467 TIMING: 4627600 CPU: 13897.2, 0.00299223/step Wall: 13897.2, 0.00299223/step, 0.309529 hours remaining, 210.277344 MB of memory in use. ENERGY: 4627600 745.1398 2032.3708 1956.9301 103.0849 -206932.2534 18209.0150 0.0000 0.0000 34279.1741 -149606.5387 299.3686 -183885.7128 -149516.2835 297.6377 214.7027 248.9498 556745.2161 7.3971 7.3559 PRESSURE: 4627800 45.62 -114.339 39.1417 -114.339 186.35 -43.8207 39.1403 -43.8197 -219.641 GPRESSURE: 4627800 86.3415 -86.0906 41.6078 -89.408 199.871 48.6842 -39.8921 -134.03 -162.561 PRESSAVG: 4627800 -12.3346 5.94478 29.6289 5.94481 -13.4825 7.88856 29.6289 7.88859 20.7067 GPRESSAVG: 4627800 -14.3267 7.09317 27.197 7.5496 -12.3968 7.19539 31.9291 9.16196 21.4431 TIMING: 4627800 CPU: 13897.8, 0.00301265/step Wall: 13897.8, 0.00301265/step, 0.311475 hours remaining, 210.277344 MB of memory in use. ENERGY: 4627800 769.9289 2074.6058 1960.9099 103.2714 -206439.4007 17862.5055 0.0000 0.0000 34140.3718 -149527.8073 298.1564 -183668.1791 -149440.7199 298.3622 4.1094 41.2174 556864.9259 -1.7034 -1.7602 PRESSURE: 4628000 -301.96 -87.9962 84.8134 -87.9976 -95.5999 100.029 84.8147 100.027 -9.35619 GPRESSURE: 4628000 -334.89 -86.7669 89.4706 -80.2196 -32.207 62.5024 144.478 127.201 53.1192 PRESSAVG: 4628000 13.3846 78.9545 -23.8636 78.9545 -44.8406 11.2511 -23.8636 11.251 21.632 GPRESSAVG: 4628000 14.1311 75.964 -20.3853 79.5299 -44.865 13.1485 -24.3147 9.81998 20.4678 TIMING: 4628000 CPU: 13898.4, 0.00301567/step Wall: 13898.4, 0.00301567/step, 0.311619 hours remaining, 210.277344 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: 4628000 771.9777 2086.0145 1939.9615 110.7325 -206302.1503 17752.1050 0.0000 0.0000 34035.5218 -149605.8373 297.2407 -183641.3591 -149511.8284 298.3265 -135.6385 -104.6592 558338.0561 -3.2747 -3.4220 PRESSURE: 4628200 168.269 -46.274 -130.418 -46.2748 -150.963 57.5706 -130.419 57.5692 -168.666 GPRESSURE: 4628200 187.706 -69.934 -168.177 -61.3656 -141.285 61.2548 -118.65 4.39249 -104.202 PRESSAVG: 4628200 0.89463 -2.59742 -1.44215 -2.59736 -18.2426 -8.64171 -1.44215 -8.64165 -39.0052 GPRESSAVG: 4628200 1.66681 -2.67119 -3.22853 -1.68271 -19.0252 -8.64281 -0.924446 -10.7381 -39.4302 TIMING: 4628200 CPU: 13899, 0.00300825/step Wall: 13899, 0.00300825/step, 0.310685 hours remaining, 210.277344 MB of memory in use. ENERGY: 4628200 811.6785 2050.6413 1974.4624 118.9784 -206618.4946 17902.2567 0.0000 0.0000 34218.7882 -149541.6891 298.8412 -183760.4773 -149446.5430 298.5733 -50.4534 -19.2602 556266.1049 -18.7844 -18.9296 LDB: ============= START OF LOAD BALANCING ============== 13902.5 LDB: ============== END OF LOAD BALANCING =============== 13902.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13902.5 LDB: ============= START OF LOAD BALANCING ============== 13902.8 LDB: Largest compute 4796 load 0.029600 is 25.1% of average load 0.118144 LDB: Average compute 0.001733 is 1.5% of average load 0.118144 LDB: TIME 13902.8 LOAD: AVG 0.118144 MAX 0.207064 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.262 MB LDB: TIME 13902.8 LOAD: AVG 0.118144 MAX 0.207064 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.504 MB LDB: TIME 13902.8 LOAD: AVG 0.118144 MAX 0.207064 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.504 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13902.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13902.8 PRESSURE: 4628400 123.83 2.72308 109.361 2.72416 24.3369 85.6598 109.361 85.6609 68.9028 GPRESSURE: 4628400 197.75 -48.6477 88.0279 -28.7219 23.9597 -4.88432 225.071 141.638 101.615 PRESSAVG: 4628400 57.0084 -19.7544 -56.8705 -19.7544 -11.1361 56.8059 -56.8704 56.8059 -14.9756 GPRESSAVG: 4628400 55.9502 -17.2503 -59.0834 -21.5195 -11.6331 56.9921 -56.1832 58.7568 -13.3267 TIMING: 4628400 CPU: 13899.6, 0.003011/step Wall: 13899.6, 0.003011/step, 0.310802 hours remaining, 209.128906 MB of memory in use. ENERGY: 4628400 761.6661 2014.0460 1959.3303 123.5915 -206310.1875 17950.2977 0.0000 0.0000 34122.7753 -149378.4805 298.0027 -183501.2558 -149278.4975 299.1358 72.3567 107.7747 556316.9114 10.2989 10.3301 PRESSURE: 4628600 -3.53533 -99.4499 152.285 -99.4492 222.747 70.4972 152.286 70.4964 -309.125 GPRESSURE: 4628600 -36.028 -95.8613 185.695 -68.6664 239.79 155.089 194.27 106.514 -203.837 PRESSAVG: 4628600 -20.0345 -39.998 23.113 -39.998 3.24227 -4.78923 23.113 -4.78932 36.5543 GPRESSAVG: 4628600 -19.3705 -39.5615 24.571 -39.1195 4.57584 -5.41205 22.8213 -3.48002 34.1328 TIMING: 4628600 CPU: 13900.2, 0.00294401/step Wall: 13900.2, 0.00294401/step, 0.303723 hours remaining, 209.195312 MB of memory in use. ENERGY: 4628600 745.6668 2105.6694 1907.6698 119.3011 -206147.7733 17756.4661 0.0000 0.0000 34216.0020 -149296.9982 298.8169 -183513.0002 -149200.1390 299.0041 -29.9709 -0.0252 556901.5501 6.5874 6.4461 PRESSURE: 4628800 148.336 -174.887 7.804 -174.887 163.695 -185.875 7.80414 -185.876 -37.6762 GPRESSURE: 4628800 164.001 -189.443 50.4049 -183.685 172.479 -248.45 86.2307 -103.499 40.8987 PRESSAVG: 4628800 -38.8982 -32.8569 -10.95 -32.8568 46.5884 30.4114 -10.95 30.4115 -26.2547 GPRESSAVG: 4628800 -39.1372 -34.2208 -9.98921 -32.8913 45.7368 29.4688 -9.62433 27.6461 -25.4505 TIMING: 4628800 CPU: 13900.8, 0.00296875/step Wall: 13900.8, 0.00296875/step, 0.306111 hours remaining, 209.195312 MB of memory in use. ENERGY: 4628800 699.5035 2071.9830 1933.0258 114.0324 -206585.7716 17917.0445 0.0000 0.0000 34455.7650 -149394.4174 300.9108 -183850.1824 -149308.1462 299.1513 91.4515 125.7931 557258.8985 -6.1882 -6.2837 PRESSURE: 4629000 -170.436 -70.5267 -103.411 -70.5267 -141.809 -39.2619 -103.411 -39.2607 -291.547 GPRESSURE: 4629000 -95.0159 -40.2513 -98.6992 -52.4589 -173.754 -41.1626 -65.4244 -22.3997 -236.961 PRESSAVG: 4629000 -14.5324 -13.6952 9.73887 -13.6953 26.2341 -31.652 9.73892 -31.6521 -44.4439 GPRESSAVG: 4629000 -14.1721 -15.053 8.98383 -12.8909 25.7535 -30.9119 7.64126 -30.034 -44.1885 TIMING: 4629000 CPU: 13901.3, 0.0029395/step Wall: 13901.3, 0.0029395/step, 0.302932 hours remaining, 209.398438 MB of memory in use. ENERGY: 4629000 729.0537 2156.7469 1902.7320 110.5974 -206051.2369 17484.3856 0.0000 0.0000 34115.6995 -149552.0218 297.9409 -183667.7213 -149451.9372 298.9779 -201.2638 -168.5768 557166.2946 -10.9141 -10.8690 PRESSURE: 4629200 -126.448 -63.4061 237.741 -63.4046 -25.0163 -140.53 237.741 -140.531 255.785 GPRESSURE: 4629200 -116.92 -108.465 158.665 -20.1885 22.0793 -65.2926 290.952 -286.673 290.367 PRESSAVG: 4629200 12.7057 -1.00043 18.1832 -1.00049 16.8819 7.69538 18.1832 7.69539 -43.5627 GPRESSAVG: 4629200 12.4042 0.936218 16.6653 -2.73895 17.4049 7.84021 18.7341 7.15626 -44.1277 TIMING: 4629200 CPU: 13901.9, 0.00293752/step Wall: 13901.9, 0.00293752/step, 0.302565 hours remaining, 209.398438 MB of memory in use. ENERGY: 4629200 736.0785 2085.5541 1911.2812 110.2688 -206286.5483 17776.0433 0.0000 0.0000 34261.9971 -149405.3253 299.2185 -183667.3224 -149308.2872 298.5990 34.7734 65.1755 556300.4977 -4.6584 -4.7729 PRESSURE: 4629400 175.373 65.4534 -139.91 65.4537 -130.026 -84.2679 -139.91 -84.268 -121.43 GPRESSURE: 4629400 238.503 49.4855 -57.0978 171.502 -118.289 -137.155 -136.574 -66.8986 -98.0635 PRESSAVG: 4629400 21.6453 70.2587 23.2253 70.2586 42.204 -7.6494 23.2252 -7.64928 -21.3083 GPRESSAVG: 4629400 20.8864 68.7289 23.6124 70.2471 42.5337 -8.37456 22.8046 -7.59243 -20.8545 TIMING: 4629400 CPU: 13902.5, 0.00298947/step Wall: 13902.5, 0.00298947/step, 0.307749 hours remaining, 209.601562 MB of memory in use. ENERGY: 4629400 765.4599 2101.8009 1916.5677 109.2062 -206403.5435 17858.0564 0.0000 0.0000 34439.9370 -149212.5154 300.7725 -183652.4524 -149113.5557 298.9679 -25.3611 7.3834 556623.7263 14.1803 14.1885 PRESSURE: 4629600 -17.0912 164.998 1.35606 164.999 10.7485 -44.5244 1.35531 -44.5244 -269.448 GPRESSURE: 4629600 83.4625 222.174 13.7521 96.8727 44.5867 -132.44 -39.9336 26.6463 -305.797 PRESSAVG: 4629600 -31.8425 -16.0865 18.2762 -16.0865 -22.0351 7.29485 18.2762 7.29485 65.0788 GPRESSAVG: 4629600 -31.8854 -14.0728 20.4597 -17.0839 -22.2928 5.55484 17.0475 9.29799 64.7883 TIMING: 4629600 CPU: 13903.1, 0.00297432/step Wall: 13903.1, 0.00297432/step, 0.306024 hours remaining, 209.601562 MB of memory in use. ENERGY: 4629600 752.5987 2090.6846 1971.5977 113.3253 -206208.6903 17759.5159 0.0000 0.0000 34357.3496 -149163.6183 300.0513 -183520.9679 -149077.9028 299.6276 -91.9301 -59.2493 556935.6645 3.7337 3.5367 PRESSURE: 4629800 126.06 -66.9553 35.6252 -66.9567 -408.729 -236.525 35.6248 -236.525 -60.2186 GPRESSURE: 4629800 137.615 -83.6464 39.6658 2.44774 -355.484 -228.119 5.87491 -137.703 -38.1279 PRESSAVG: 4629800 12.2967 16.4508 19.3381 16.4508 20.3858 14.992 19.3382 14.9918 41.4831 GPRESSAVG: 4629800 12.5892 15.4001 17.898 17.8955 19.3149 16.3095 21.1949 12.9307 42.4035 TIMING: 4629800 CPU: 13903.7, 0.00297726/step Wall: 13903.7, 0.00297726/step, 0.306161 hours remaining, 209.601562 MB of memory in use. ENERGY: 4629800 769.9896 2100.9796 1935.3526 112.3447 -206115.8776 17603.6135 0.0000 0.0000 34312.1959 -149281.4016 299.6569 -183593.5976 -149182.5657 299.2900 -114.2960 -85.3322 556474.7488 24.7219 24.7692 PRESSURE: 4630000 116.655 -118.154 77.6477 -118.154 -44.7392 38.9608 77.6474 38.9596 118.975 GPRESSURE: 4630000 136.076 -162.572 120.84 -82.7305 -5.01686 80.921 -17.7382 32.2193 157.817 PRESSAVG: 4630000 -44.8845 9.53586 -5.09462 9.53592 -15.5719 -67.5605 -5.09452 -67.5605 57.3467 GPRESSAVG: 4630000 -44.7034 10.0945 -3.19743 9.26857 -14.6062 -67.3512 -7.45248 -66.124 55.9929 TIMING: 4630000 CPU: 13904.3, 0.00295158/step Wall: 13904.3, 0.00295158/step, 0.303357 hours remaining, 209.601562 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: 4630000 738.9951 2061.4810 1964.4874 114.8466 -206357.7260 17905.3402 0.0000 0.0000 34243.9609 -149328.6148 299.0610 -183572.5757 -149226.3227 299.4423 63.6304 96.2918 555655.1293 -1.0366 -1.1056 PRESSURE: 4630200 28.0758 12.679 -3.43557 12.6779 50.6159 -183.286 -3.435 -183.284 -146.549 GPRESSURE: 4630200 47.9051 -28.514 22.147 37.4796 67.1663 -155.916 -1.94296 -161.299 -83.8236 PRESSAVG: 4630200 39.609 22.5639 -3.44171 22.5639 -14.3179 -1.47004 -3.4417 -1.47007 -23.0978 GPRESSAVG: 4630200 39.7363 19.1153 -3.31161 23.1342 -16.3221 -0.795752 -3.29288 -2.69731 -21.1018 TIMING: 4630200 CPU: 13904.9, 0.00299769/step Wall: 13904.9, 0.00299769/step, 0.307929 hours remaining, 209.601562 MB of memory in use. ENERGY: 4630200 689.6785 2185.5839 1939.9365 114.2608 -206426.2830 17752.2542 0.0000 0.0000 34314.7387 -149429.8303 299.6791 -183744.5690 -149333.6484 299.2393 -22.6192 10.4159 556327.0469 0.7311 0.7708 PRESSURE: 4630400 200.014 57.2129 111.593 57.2147 37.703 42.2081 111.593 42.2081 -237.112 GPRESSURE: 4630400 236.695 51.3829 89.8677 7.62404 39.232 64.2083 246.471 41.0884 -181.897 PRESSAVG: 4630400 -3.55274 -8.65653 61.923 -8.65658 56.1547 20.5267 61.923 20.5267 -66.1985 GPRESSAVG: 4630400 -3.14907 -5.38879 62.8646 -9.23003 56.7545 19.2007 60.535 21.68 -67.103 TIMING: 4630400 CPU: 13905.5, 0.00296008/step Wall: 13905.5, 0.00296008/step, 0.303902 hours remaining, 209.601562 MB of memory in use. ENERGY: 4630400 718.2132 2046.7914 1932.7257 123.3183 -206595.0121 17907.8501 0.0000 0.0000 34303.8613 -149562.2522 299.5842 -183866.1135 -149468.5792 298.9248 0.2017 31.3434 555790.7928 -4.5322 -4.4992 PRESSURE: 4630600 -224.595 126.575 121.553 126.574 -319.579 40.7436 121.552 40.7413 -192.713 GPRESSURE: 4630600 -167.003 90.6438 118.941 133.935 -253.405 41.4622 127.643 100.904 -201.08 PRESSAVG: 4630600 5.1427 -3.18622 16.2733 -3.18622 21.0874 74.8595 16.2735 74.8595 -21.0384 GPRESSAVG: 4630600 4.76934 -1.47062 14.9697 -6.60023 20.6478 76.3093 18.9573 74.3257 -20.4594 TIMING: 4630600 CPU: 13906.1, 0.00294824/step Wall: 13906.1, 0.00294824/step, 0.302522 hours remaining, 209.601562 MB of memory in use. ENERGY: 4630600 743.6945 2070.7201 1974.9739 116.8571 -206363.1965 17607.8977 0.0000 0.0000 34318.1861 -149530.8671 299.7093 -183849.0532 -149435.9606 299.3074 -245.6295 -207.1625 556024.7514 1.7306 1.6526 PRESSURE: 4630800 -23.7237 -48.9745 -19.3963 -48.9755 67.0876 -49.9003 -19.3974 -49.9015 -341.463 GPRESSURE: 4630800 -30.2305 39.2602 -5.21736 -34.3118 76.9003 -88.3081 29.8167 13.7239 -253.909 PRESSAVG: 4630800 -20.3398 -3.2637 56.7095 -3.26364 68.328 51.8363 56.7096 51.8362 -33.7762 GPRESSAVG: 4630800 -21.0176 -5.0543 55.3275 0.70335 70.0743 52.4517 56.3469 51.0569 -34.7759 TIMING: 4630800 CPU: 13906.7, 0.00297936/step Wall: 13906.7, 0.00297936/step, 0.30555 hours remaining, 209.601562 MB of memory in use. ENERGY: 4630800 733.4248 2057.5097 1922.2842 112.0767 -206350.5575 17774.9737 0.0000 0.0000 34209.6870 -149540.6013 298.7617 -183750.2884 -149455.1730 299.4443 -99.3665 -69.0796 555402.7253 4.7373 4.7602 PRESSURE: 4631000 330.346 133.285 82.5301 133.286 98.2475 -36.6126 82.5295 -36.6148 -90.0129 GPRESSURE: 4631000 360.048 103.299 135.741 231.317 88.4042 -50.4487 -9.52341 3.31901 -36.2968 PRESSAVG: 4631000 27.4055 -36.3411 24.0933 -36.3411 -24.5869 13.4916 24.0932 13.4916 7.71442 GPRESSAVG: 4631000 29.1564 -36.1002 24.8714 -37.2294 -26.5619 11.9603 23.565 15.4224 6.95283 TIMING: 4631000 CPU: 13907.3, 0.00300157/step Wall: 13907.3, 0.00300157/step, 0.307661 hours remaining, 209.601562 MB of memory in use. ENERGY: 4631000 725.0082 2073.7168 1941.8759 108.5706 -206297.5330 17911.9957 0.0000 0.0000 34030.4995 -149505.8663 297.1968 -183536.3659 -149407.7705 298.3218 112.8603 137.3850 556277.0283 3.5110 3.1825 PRESSURE: 4631200 -273.56 -98.5859 -212.031 -98.5854 -14.8874 8.96742 -212.031 8.96725 -171.744 GPRESSURE: 4631200 -210.052 32.3793 -144.155 -238.644 -5.7802 25.0415 -239.071 -20.7109 -147.248 PRESSAVG: 4631200 -33.3313 17.3227 -29.2912 17.3228 6.24996 -10.1373 -29.2912 -10.1373 36.1408 GPRESSAVG: 4631200 -35.3382 18.9174 -30.526 17.8764 6.84417 -9.78436 -27.1503 -11.1579 36.6375 TIMING: 4631200 CPU: 13907.9, 0.00300923/step Wall: 13907.9, 0.00300924/step, 0.308279 hours remaining, 209.601562 MB of memory in use. ENERGY: 4631200 751.8846 2109.2645 1946.9348 118.4431 -206489.3193 17697.8839 0.0000 0.0000 34338.2668 -149526.6416 299.8846 -183864.9084 -149426.5385 298.7386 -153.3970 -121.0266 557502.7814 3.0198 2.7145 PRESSURE: 4631400 35.0918 -29.844 45.9127 -29.844 -235.294 -17.4874 45.9133 -17.4878 -158.517 GPRESSURE: 4631400 17.3146 -21.9366 59.6964 94.0214 -144.888 35.6611 -45.0052 17.8689 -136.34 PRESSAVG: 4631400 -32.9186 -42.9563 10.5091 -42.9563 -4.25628 43.4575 10.5091 43.4574 4.59939 GPRESSAVG: 4631400 -33.1787 -44.8738 11.4548 -44.104 -3.98072 43.7591 9.10374 41.5384 4.73728 TIMING: 4631400 CPU: 13908.5, 0.00299634/step Wall: 13908.5, 0.00299634/step, 0.306792 hours remaining, 209.601562 MB of memory in use. ENERGY: 4631400 737.4460 2069.3215 1916.6596 108.4078 -205875.5544 17594.6551 0.0000 0.0000 34031.4394 -149417.6250 297.2050 -183449.0644 -149327.4494 298.6905 -119.5729 -87.9710 557545.9097 -10.8585 -10.8074 PRESSURE: 4631600 35.9937 6.59184 -39.6145 6.59207 -55.0768 -72.3925 -39.6153 -72.3926 -45.4512 GPRESSURE: 4631600 123.817 29.2612 -67.9452 -22.1017 -66.9236 -53.1877 43.1592 -73.465 -22.3147 PRESSAVG: 4631600 10.6117 -11.2395 1.0145 -11.2394 -2.33627 -15.1791 1.01446 -15.179 -4.12202 GPRESSAVG: 4631600 10.6045 -11.8104 1.5531 -10.4363 -2.75989 -15.493 2.24978 -12.422 -3.96405 TIMING: 4631600 CPU: 13909.1, 0.00298732/step Wall: 13909.1, 0.00298732/step, 0.305702 hours remaining, 209.601562 MB of memory in use. ENERGY: 4631600 755.7399 2090.7124 1948.8643 129.9765 -206361.9388 17797.3656 0.0000 0.0000 34318.8589 -149320.4213 299.7151 -183639.2802 -149214.5174 299.3210 -21.5114 11.5262 556556.5852 1.3845 1.2935 PRESSURE: 4631800 -67.7735 -171.057 -54.7096 -171.058 143.925 -60.9496 -54.7098 -60.9496 252.207 GPRESSURE: 4631800 -3.88562 -175.502 -29.7313 -136.748 137.484 -42.8178 -74.2112 33.1227 289.395 PRESSAVG: 4631800 -35.3295 10.9002 -5.22338 10.9002 15.4821 -58.613 -5.2234 -58.613 53.8575 GPRESSAVG: 4631800 -35.7891 9.72818 -5.33743 12.9756 16.0649 -60.3834 -6.93333 -57.7855 53.3989 TIMING: 4631800 CPU: 13909.7, 0.00300689/step Wall: 13909.7, 0.00300689/step, 0.307538 hours remaining, 209.601562 MB of memory in use. ENERGY: 4631800 743.4055 2081.2799 1954.0022 106.3932 -206050.4189 17817.7323 0.0000 0.0000 34255.3198 -149092.2859 299.1602 -183347.6057 -148998.4784 299.0671 109.4527 140.9978 556597.0479 11.3367 11.2249 PRESSURE: 4632000 137.463 -41.9951 -13.4758 -41.9957 120.361 9.71329 -13.4741 9.71359 5.04755 GPRESSURE: 4632000 164.587 -22.0773 -3.14977 -2.12573 112.253 -20.837 -11.244 -24.5975 86.3454 PRESSAVG: 4632000 -8.72733 11.3716 8.21289 11.3717 12.2791 10.2875 8.21285 10.2875 34.3157 GPRESSAVG: 4632000 -8.19019 15.3952 10.3608 7.88963 11.8654 12.8984 7.25372 8.78503 33.928 TIMING: 4632000 CPU: 13910.3, 0.0030001/step Wall: 13910.3, 0.0030001/step, 0.306677 hours remaining, 209.601562 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: 4632000 719.9286 2089.1970 1963.7862 113.6334 -206509.9583 18077.9239 0.0000 0.0000 34425.6101 -149119.8790 300.6474 -183545.4891 -149029.2952 300.5201 87.6239 121.0618 557338.4122 12.6225 12.5344 PRESSURE: 4632200 -159.322 -7.5668 23.7412 -7.56604 51.9997 -45.8559 23.7408 -45.8559 33.0179 GPRESSURE: 4632200 -104.693 -34.2352 -12.0558 -7.77699 29.9907 -21.2704 61.4889 -72.5537 97.2997 PRESSAVG: 4632200 -13.4134 30.6124 2.83405 30.6124 -7.70942 24.4435 2.8341 24.4436 60.3644 GPRESSAVG: 4632200 -13.3788 29.3339 0.713918 32.622 -8.74081 24.3864 3.90876 24.8785 61.4475 TIMING: 4632200 CPU: 13910.9, 0.00296748/step Wall: 13910.9, 0.00296748/step, 0.303178 hours remaining, 209.601562 MB of memory in use. ENERGY: 4632200 741.4979 2097.3458 1928.8699 101.8128 -206325.5963 17859.0655 0.0000 0.0000 34351.1592 -149245.8452 299.9972 -183597.0045 -149151.5000 299.6813 -24.7681 7.5326 558422.9202 13.0805 13.1093 LDB: ============= START OF LOAD BALANCING ============== 13914.4 LDB: ============== END OF LOAD BALANCING =============== 13914.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13914.4 LDB: ============= START OF LOAD BALANCING ============== 13914.7 LDB: Largest compute 4774 load 0.030084 is 25.5% of average load 0.118148 LDB: Average compute 0.001732 is 1.5% of average load 0.118148 LDB: TIME 13914.7 LOAD: AVG 0.118148 MAX 0.211201 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.902 MB LDB: TIME 13914.7 LOAD: AVG 0.118148 MAX 0.211201 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.938 MB LDB: TIME 13914.7 LOAD: AVG 0.118148 MAX 0.211201 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.938 MB LDB: ============== END OF LOAD BALANCING =============== 13914.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13914.7 PRESSURE: 4632400 -57.7271 -27.9098 -143.303 -27.911 140.698 -105.399 -143.303 -105.399 -152.113 GPRESSURE: 4632400 3.05263 -3.01422 -150.964 -7.01039 165.88 -162.789 -123.901 -155.15 -140.625 PRESSAVG: 4632400 27.5466 -6.95953 9.41776 -6.95959 -22.3436 -60.6025 9.41768 -60.6025 17.1212 GPRESSAVG: 4632400 27.1476 -6.57936 10.9896 -7.2655 -21.4768 -61.6578 7.98385 -60.6597 16.9237 TIMING: 4632400 CPU: 13911.5, 0.00303681/step Wall: 13911.5, 0.00303681/step, 0.310092 hours remaining, 211.515625 MB of memory in use. ENERGY: 4632400 753.6374 2096.3844 1939.8263 111.7191 -206414.5442 17860.0645 0.0000 0.0000 34252.4787 -149400.4339 299.1354 -183652.9125 -149305.6555 299.1544 -23.0472 9.4360 559046.1529 7.4414 7.5315 PRESSURE: 4632600 -140.688 62.7788 -88.7279 62.7786 -113.735 161.33 -88.7284 161.331 -123.171 GPRESSURE: 4632600 -89.3437 45.1402 -85.2297 76.1244 -112.369 154.007 13.6773 130.602 -76.5541 PRESSAVG: 4632600 63.8365 -38.9208 6.03063 -38.9208 25.5559 -0.522107 6.03062 -0.52221 1.34286 GPRESSAVG: 4632600 63.4285 -40.9419 6.6738 -37.5945 25.9043 0.0350406 8.43624 -0.159936 1.44532 TIMING: 4632600 CPU: 13912.1, 0.0029678/step Wall: 13912.1, 0.0029678/step, 0.302881 hours remaining, 211.718750 MB of memory in use. ENERGY: 4632600 743.6882 2115.9597 1927.7668 104.9816 -206647.6524 17868.0820 0.0000 0.0000 34476.9975 -149410.1767 301.0962 -183887.1741 -149310.7055 299.4691 -125.8644 -92.7556 558659.7081 30.2451 30.2594 PRESSURE: 4632800 -16.6751 -15.7124 58.556 -15.7113 -160.389 149.733 58.5556 149.732 -41.1672 GPRESSURE: 4632800 25.2546 -5.63256 134.327 -0.60155 -134.672 145.777 86.7106 74.3333 -7.18866 PRESSAVG: 4632800 5.2185 24.2934 27.5419 24.2934 -4.73265 -20.6374 27.5419 -20.6374 -29.1849 GPRESSAVG: 4632800 5.62072 27.1715 27.3178 23.3031 -5.34146 -22.2578 25.2663 -18.735 -28.5694 TIMING: 4632800 CPU: 13912.7, 0.00298343/step Wall: 13912.7, 0.00298343/step, 0.30431 hours remaining, 211.718750 MB of memory in use. ENERGY: 4632800 760.9696 2105.8428 1967.9275 118.9431 -206234.5303 17758.1336 0.0000 0.0000 34189.6686 -149333.0450 298.5869 -183522.7136 -149240.6483 299.4314 -72.7437 -38.8687 558129.0537 -9.5664 -9.4300 PRESSURE: 4633000 249.478 130.962 -249.274 130.961 227.412 -18.6928 -249.275 -18.6917 295.868 GPRESSURE: 4633000 252.856 140.779 -331.566 55.3085 225.16 -15.0876 -199.783 39.8577 379.601 PRESSAVG: 4633000 32.897 35.4851 -15.2786 35.4851 -15.39 36.8134 -15.2787 36.8135 -17.6122 GPRESSAVG: 4633000 33.9848 35.3739 -17.229 35.0622 -14.6579 37.9659 -14.5011 33.598 -18.629 TIMING: 4633000 CPU: 13913.3, 0.00296694/step Wall: 13913.3, 0.00296694/step, 0.302463 hours remaining, 211.718750 MB of memory in use. ENERGY: 4633000 708.9487 2129.4265 1937.2897 103.8124 -206573.1797 18155.4357 0.0000 0.0000 34342.2628 -149196.0037 299.9195 -183538.2665 -149103.1393 299.0662 257.5858 285.8723 557589.2443 -0.0350 0.2326 PRESSURE: 4633200 -104.129 -123.932 -71.35 -123.931 -196.294 35.7016 -71.349 35.7013 -96.0128 GPRESSURE: 4633200 -69.0757 -186.177 -137.849 -143.694 -171.305 -66.4855 -7.36699 85.7958 -57.6433 PRESSAVG: 4633200 46.8346 7.35839 -24.457 7.35837 -8.19254 -23.0582 -24.4569 -23.0581 -11.7244 GPRESSAVG: 4633200 45.0662 5.90671 -23.1385 9.11026 -7.88592 -23.0113 -23.9518 -21.4114 -10.7399 TIMING: 4633200 CPU: 13913.9, 0.00296282/step Wall: 13913.9, 0.00296282/step, 0.301879 hours remaining, 211.968750 MB of memory in use. ENERGY: 4633200 770.2761 2109.2678 1949.1718 113.3312 -206107.8866 17622.0044 0.0000 0.0000 34257.3704 -149286.4649 299.1781 -183543.8353 -149184.1663 299.7527 -132.1455 -99.3415 557792.3972 8.9726 8.8135 PRESSURE: 4633400 52.9956 17.0005 3.64295 17.001 -108.542 -58.2071 3.6436 -58.2074 -153.362 GPRESSURE: 4633400 58.8215 26.3643 -28.4675 37.9652 -105.835 -27.565 76.5723 -71.6906 -64.6902 PRESSAVG: 4633400 -24.8369 13.0386 -39.9138 13.0385 14.7651 9.81826 -39.9139 9.81821 12.3231 GPRESSAVG: 4633400 -23.5737 13.6219 -41.6851 11.1984 14.1816 11.0994 -38.8504 8.38958 12.1791 TIMING: 4633400 CPU: 13914.5, 0.00295872/step Wall: 13914.5, 0.00295872/step, 0.301297 hours remaining, 211.968750 MB of memory in use. ENERGY: 4633400 762.7359 2111.4136 1936.6321 100.6125 -206204.6987 17734.6277 0.0000 0.0000 34394.5585 -149164.1184 300.3762 -183558.6769 -149065.8668 299.4329 -69.6363 -37.2346 559536.0218 0.7504 0.9290 PRESSURE: 4633600 99.6117 -32.3825 117.979 -32.3805 -145.412 55.8742 117.98 55.8747 -74.1472 GPRESSURE: 4633600 112.592 -19.8038 123.491 -53.7113 -132.711 -25.9966 123.138 128.815 -12.3285 PRESSAVG: 4633600 34.9328 4.90808 12.9243 4.90804 -32.0187 -3.50991 12.9242 -3.5099 -0.0514752 GPRESSAVG: 4633600 33.4662 3.29751 11.8953 7.07378 -31.757 -6.30326 12.1426 -0.834616 1.05129 TIMING: 4633600 CPU: 13915.1, 0.0029532/step Wall: 13915.1, 0.0029532/step, 0.30057 hours remaining, 211.968750 MB of memory in use. ENERGY: 4633600 751.3974 2090.2751 1949.6016 120.8995 -206409.7225 17942.3721 0.0000 0.0000 34390.6081 -149164.5687 300.3417 -183555.1768 -149072.3193 298.7310 -39.9825 -10.8157 557108.8114 0.9542 0.9202 PRESSURE: 4633800 176.552 26.6243 64.6684 26.6239 218.221 27.5929 64.6679 27.5941 168.349 GPRESSURE: 4633800 160.796 6.1119 59.7075 -14.4449 319.044 65.709 74.6222 48.1811 177.231 PRESSAVG: 4633800 19.4437 43.7745 -26.6596 43.7744 -18.8945 -2.8112 -26.6597 -2.8112 12.5196 GPRESSAVG: 4633800 20.0223 44.8409 -23.3853 42.7487 -18.3337 -2.4684 -26.6795 -2.93741 11.903 TIMING: 4633800 CPU: 13915.6, 0.00294329/step Wall: 13915.6, 0.00294329/step, 0.299398 hours remaining, 211.968750 MB of memory in use. ENERGY: 4633800 714.9813 2110.9175 1966.4493 116.1592 -206277.6515 17924.6956 0.0000 0.0000 34057.2811 -149387.1675 297.4307 -183444.4486 -149290.4963 299.3973 187.7072 219.0238 556453.6514 4.3563 4.5305 PRESSURE: 4634000 -326.295 -84.7174 -48.8233 -84.7159 1.34628 -113.667 -48.8244 -113.666 -125.829 GPRESSURE: 4634000 -270.027 -15.0729 -35.1742 -108.568 22.0004 -75.3848 4.93632 -115.035 -95.6367 PRESSAVG: 4634000 -37.5443 -7.93308 19.9659 -7.9331 54.071 17.2003 19.9658 17.2002 -66.967 GPRESSAVG: 4634000 -37.5537 -7.18746 19.7846 -7.81973 54.4953 17.3073 18.1193 15.586 -67.7286 TIMING: 4634000 CPU: 13916.2, 0.00296443/step Wall: 13916.2, 0.00296443/step, 0.301384 hours remaining, 211.968750 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: 4634000 761.5551 2101.6659 1935.7300 104.4274 -205833.6479 17535.0055 0.0000 0.0000 34092.3016 -149302.9625 297.7365 -183395.2640 -149205.1558 298.3017 -150.2593 -114.5546 558673.2161 -16.8134 -16.9290 PRESSURE: 4634200 -47.0698 -45.4519 38.3366 -45.4514 -325.888 42.5658 38.3367 42.5664 -151.056 GPRESSURE: 4634200 23.5042 -74.4686 1.71474 -26.5521 -327.785 88.3401 92.1514 75.4861 -124.881 PRESSAVG: 4634200 7.01768 -16.016 29.3654 -16.016 18.5828 -53.9703 29.3654 -53.9704 -5.10025 GPRESSAVG: 4634200 6.71217 -14.7884 27.2259 -17.135 17.351 -53.1171 30.6964 -52.4256 -4.07961 TIMING: 4634200 CPU: 13916.8, 0.00297007/step Wall: 13916.8, 0.00297007/step, 0.301792 hours remaining, 211.968750 MB of memory in use. ENERGY: 4634200 776.5446 2111.0265 1967.9412 106.9505 -205986.5922 17603.4631 0.0000 0.0000 34223.3126 -149197.3538 298.8807 -183420.6664 -149109.0134 299.0112 -174.6712 -143.0538 557928.2688 6.8334 6.6612 PRESSURE: 4634400 -237.866 54.3741 42.9692 54.3761 -178.441 103.631 42.9685 103.63 57.6507 GPRESSURE: 4634400 -163.225 12.9436 85.5101 82.3378 -130.634 70.1036 -29.2379 197.004 35.5055 PRESSAVG: 4634400 32.7472 -17.5721 -25.4198 -17.5722 -2.35617 -5.07298 -25.4199 -5.073 -3.66904 GPRESSAVG: 4634400 33.1633 -18.3263 -24.344 -15.339 -1.59997 -6.33015 -23.7196 -4.63729 -4.38905 TIMING: 4634400 CPU: 13917.4, 0.00295635/step Wall: 13917.4, 0.00295635/step, 0.300234 hours remaining, 211.968750 MB of memory in use. ENERGY: 4634400 756.8260 2090.6802 1925.2081 119.8142 -205881.3601 17473.2646 0.0000 0.0000 34319.0296 -149196.5375 299.7166 -183515.5671 -149099.4320 300.1512 -119.5520 -86.1177 556368.4735 8.9073 9.0581 PRESSURE: 4634600 -95.5388 -154.012 118.438 -154.012 -110.039 53.7231 118.437 53.7247 -10.2842 GPRESSURE: 4634600 -38.375 -142.158 15.316 -166.806 -114.566 31.1448 161.037 43.3658 33.0847 PRESSAVG: 4634600 40.7039 -3.53162 9.95215 -3.53154 -1.14948 -3.57825 9.95205 -3.57828 -5.15516 GPRESSAVG: 4634600 40.616 -4.45823 9.19632 -5.28727 -1.92361 -5.00504 11.1756 -4.12013 -4.13651 TIMING: 4634600 CPU: 13918, 0.00293876/step Wall: 13918, 0.00293876/step, 0.298284 hours remaining, 211.968750 MB of memory in use. ENERGY: 4634600 776.6040 2071.1731 1949.7806 110.4293 -206245.9701 17912.4719 0.0000 0.0000 34262.3739 -149163.1374 299.2218 -183425.5112 -149066.3885 299.6721 -71.9539 -39.9520 557846.3610 11.4664 11.5186 PRESSURE: 4634800 -299.639 55.6263 42.7099 55.625 -170.119 81.2248 42.7093 81.2255 -232.522 GPRESSURE: 4634800 -284.644 57.8847 100.055 0.462976 -156.608 72.4297 24.3234 130.152 -165.535 PRESSAVG: 4634800 -3.83549 -15.0833 -14.2618 -15.0833 7.40792 4.87867 -14.2618 4.87864 -34.2737 GPRESSAVG: 4634800 -4.03563 -11.285 -13.5606 -15.1812 10.1077 7.71181 -17.5034 3.97904 -36.4165 TIMING: 4634800 CPU: 13918.6, 0.00294951/step Wall: 13918.6, 0.00294951/step, 0.299212 hours remaining, 211.968750 MB of memory in use. ENERGY: 4634800 794.9755 2075.3184 1953.8306 113.8279 -206361.5438 17731.1593 0.0000 0.0000 34458.3194 -149234.1127 300.9331 -183692.4321 -149148.2229 299.1368 -234.0936 -202.2625 557994.3202 -10.2338 -10.1148 PRESSURE: 4635000 -100.486 199.36 -125.526 199.361 -322.609 125.354 -125.526 125.354 -375.587 GPRESSURE: 4635000 -67.8471 174.18 -123.603 122.716 -302.641 90.4336 -175.316 102.002 -330.757 PRESSAVG: 4635000 10.9835 12.8222 -24.7403 12.8222 27.524 -44.2504 -24.7404 -44.2503 -19.2985 GPRESSAVG: 4635000 12.6796 9.9386 -23.8238 12.6094 25.6129 -44.1197 -26.2589 -45.042 -18.7606 TIMING: 4635000 CPU: 13919.2, 0.00297733/step Wall: 13919.2, 0.00297733/step, 0.301868 hours remaining, 211.968750 MB of memory in use. ENERGY: 4635000 741.4932 2128.8900 1965.2110 123.2159 -205725.2836 17401.0599 0.0000 0.0000 34190.3777 -149175.0358 298.5931 -183365.4136 -149080.3060 299.2711 -266.2274 -233.7484 557928.3073 6.4030 6.5106 PRESSURE: 4635200 349.299 45.2584 115.103 45.2585 204.101 -22.1381 115.102 -22.1383 176.113 GPRESSURE: 4635200 339.29 97.1408 -22.1094 -5.05651 219.831 66.8679 150.43 -49.9306 264.787 PRESSAVG: 4635200 35.1612 9.81493 -59.3455 9.81494 -32.4207 74.3034 -59.3454 74.3034 -15.0991 GPRESSAVG: 4635200 34.6897 11.1075 -62.1283 11.3355 -33.5747 76.0854 -56.4918 74.0962 -13.816 TIMING: 4635200 CPU: 13919.8, 0.0029594/step Wall: 13919.8, 0.0029594/step, 0.299885 hours remaining, 211.968750 MB of memory in use. ENERGY: 4635200 765.8750 2115.9549 1945.7528 113.6759 -206639.6157 18179.0713 0.0000 0.0000 34342.1935 -149177.0923 299.9189 -183519.2857 -149080.5793 299.8533 243.1712 274.6362 556488.4296 -4.1195 -4.2336 PRESSURE: 4635400 -81.7106 173.538 -74.8769 173.538 157.395 43.1632 -74.877 43.1635 -267.09 GPRESSURE: 4635400 1.29404 239.616 -56.6 123.311 123.667 59.0883 -50.2876 120.174 -216.321 PRESSAVG: 4635400 -53.1589 28.2478 36.1444 28.248 78.9306 7.1477 36.1445 7.14775 -23.4207 GPRESSAVG: 4635400 -55.8544 25.8635 36.0126 28.9598 80.9768 4.96623 36.0347 9.33542 -23.4235 TIMING: 4635400 CPU: 13920.4, 0.00300199/step Wall: 13920.4, 0.00300199/step, 0.304035 hours remaining, 211.968750 MB of memory in use. ENERGY: 4635400 741.3721 2092.4200 1958.4818 115.2899 -206138.3953 17873.7803 0.0000 0.0000 34231.8318 -149125.2194 298.9551 -183357.0512 -149025.0260 300.2456 -63.8019 -30.4533 557136.0024 0.7837 0.5663 PRESSURE: 4635600 -102.536 -108.386 3.93802 -108.387 -182.556 -33.3234 3.93875 -33.3226 -5.9975 GPRESSURE: 4635600 -93.3595 -66.6998 63.3882 -138.24 -105.945 3.09903 5.9326 42.6805 3.76496 PRESSAVG: 4635600 -18.4906 27.3931 55.1352 27.393 14.8162 39.5302 55.1352 39.5302 -12.3492 GPRESSAVG: 4635600 -16.4409 27.53 57.2814 26.7309 14.5422 39.3029 52.4751 38.3442 -14.6865 TIMING: 4635600 CPU: 13921, 0.00299809/step Wall: 13921, 0.00299809/step, 0.303474 hours remaining, 211.968750 MB of memory in use. ENERGY: 4635600 789.6895 2086.7783 1952.6483 121.2469 -206197.8715 17600.7762 0.0000 0.0000 34559.8445 -149086.8877 301.8197 -183646.7322 -148990.6495 299.7082 -97.0300 -65.1800 556869.8394 -5.3412 -5.5284 PRESSURE: 4635800 -128.82 -174.47 -99.332 -174.472 -17.2439 -82.0717 -99.3309 -82.0728 65.0104 GPRESSURE: 4635800 -122.755 -213.661 -98.6888 -155.822 69.3148 -103.175 -210.842 -64.7886 71.5644 PRESSAVG: 4635800 -16.431 12.9276 5.35007 12.9275 -0.285005 22.3451 5.35011 22.345 42.0356 GPRESSAVG: 4635800 -17.7269 13.9441 4.11613 12.6233 -0.354904 22.3504 6.99391 22.3392 43.2817 TIMING: 4635800 CPU: 13921.6, 0.00296949/step Wall: 13921.6, 0.00296949/step, 0.300413 hours remaining, 211.968750 MB of memory in use. ENERGY: 4635800 767.4399 2158.0599 1945.9501 98.0983 -205986.4543 17648.4653 0.0000 0.0000 34255.2581 -149113.1827 299.1597 -183368.4408 -149013.9019 299.7440 -27.0177 6.0413 557047.1036 8.4398 8.3999 PRESSURE: 4636000 60.6637 -54.9317 84.3645 -54.9315 -220.07 62.2319 84.366 62.2328 137.788 GPRESSURE: 4636000 75.9919 -112.373 64.5779 -161.672 -199.459 53.316 86.6443 80.9712 204.637 PRESSAVG: 4636000 -1.13096 44.7731 -4.11373 44.7731 -10.2978 1.93077 -4.11372 1.9307 -64.3574 GPRESSAVG: 4636000 -0.355166 43.129 -2.25053 44.6943 -11.5232 3.56513 -5.01938 1.81367 -63.2909 TIMING: 4636000 CPU: 13922.2, 0.0029805/step Wall: 13922.2, 0.0029805/step, 0.301361 hours remaining, 211.968750 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: 4636000 719.7400 2063.5241 1943.4326 108.9102 -205915.4409 17558.3723 0.0000 0.0000 34473.0594 -149048.4023 301.0618 -183521.4617 -148948.5606 299.5800 -7.2062 27.0567 556916.6039 -25.2621 -25.0564 PRESSURE: 4636200 -71.1428 33.0412 67.7833 33.0413 -260.484 -14.5931 67.7824 -14.5917 -176.277 GPRESSURE: 4636200 -52.4485 15.5472 157.322 102.837 -215.247 -20.9289 -19.5952 56.8459 -138.766 PRESSAVG: 4636200 -4.24553 -33.1428 17.3585 -33.1428 39.0275 35.9382 17.3585 35.9382 -29.1699 GPRESSAVG: 4636200 -3.99006 -33.0217 16.1364 -31.88 39.0807 33.3706 18.7766 36.3195 -28.7964 TIMING: 4636200 CPU: 13922.8, 0.00296398/step Wall: 13922.8, 0.00296398/step, 0.299527 hours remaining, 211.968750 MB of memory in use. ENERGY: 4636200 771.8350 2094.6494 1934.5216 110.4207 -206124.8580 17860.8454 0.0000 0.0000 34149.1438 -149203.4422 298.2330 -183352.5860 -149107.2192 299.6019 -169.3012 -135.4873 558763.0129 1.8707 2.0981 LDB: ============= START OF LOAD BALANCING ============== 13926.3 LDB: ============== END OF LOAD BALANCING =============== 13926.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13926.3 LDB: ============= START OF LOAD BALANCING ============== 13926.6 LDB: Largest compute 4796 load 0.027113 is 22.9% of average load 0.118243 LDB: Average compute 0.001732 is 1.5% of average load 0.118243 LDB: TIME 13926.6 LOAD: AVG 0.118243 MAX 0.2064 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.977 MB LDB: TIME 13926.6 LOAD: AVG 0.118243 MAX 0.2064 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.008 MB LDB: TIME 13926.6 LOAD: AVG 0.118243 MAX 0.2064 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.008 MB LDB: ============== END OF LOAD BALANCING =============== 13926.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13926.6 PRESSURE: 4636400 10.4041 -184.365 32.1438 -184.366 255.11 40.3665 32.1441 40.3653 -29.6528 GPRESSURE: 4636400 -6.14956 -156.298 30.5357 -192.638 293.827 63.8705 30.8245 21.5848 39.9477 PRESSAVG: 4636400 -51.1154 -6.01303 3.93649 -6.01304 65.5849 8.97404 3.9366 8.974 -22.3077 GPRESSAVG: 4636400 -51.2267 -5.76749 3.5277 -7.60804 65.1574 10.4361 4.64987 7.64168 -22.4566 TIMING: 4636400 CPU: 13923.4, 0.00301127/step Wall: 13923.4, 0.00301127/step, 0.304139 hours remaining, 209.234375 MB of memory in use. ENERGY: 4636400 719.4890 2127.3944 1930.2387 124.3451 -206354.6685 17856.5720 0.0000 0.0000 34375.5580 -149221.0712 300.2103 -183596.6292 -149118.8090 299.3455 78.6203 109.2083 556199.0463 -2.6128 -2.8420 PRESSURE: 4636600 281.896 43.2668 -3.73318 43.268 477.276 -3.76079 -3.73306 -3.76159 -156.036 GPRESSURE: 4636600 296.95 81.8517 51.7654 95.0867 515.193 -27.7983 -6.20329 -44.7109 -103.383 PRESSAVG: 4636600 54.1914 38.0702 46.9125 38.0702 25.6471 -0.138441 46.9125 -0.138417 -76.2662 GPRESSAVG: 4636600 54.3773 40.807 46.3222 37.5978 26.3098 -0.263562 47.5888 2.87773 -77.6973 TIMING: 4636600 CPU: 13924, 0.00295878/step Wall: 13924, 0.00295878/step, 0.298672 hours remaining, 209.437500 MB of memory in use. ENERGY: 4636600 772.7958 2143.2647 1940.3416 116.2353 -206680.4343 18262.2620 0.0000 0.0000 34212.1179 -149233.4171 298.7829 -183445.5349 -149136.6529 299.1360 201.0453 236.2533 557759.4595 1.1908 0.9966 PRESSURE: 4636800 -91.8614 89.2102 54.2124 89.2098 -59.1498 -12.6578 54.2125 -12.6582 -9.1517 GPRESSURE: 4636800 -66.3175 64.4858 28.0949 100.905 -48.8001 -59.2643 123.636 61.9733 57.2448 PRESSAVG: 4636800 -15.7601 43.8487 13.8599 43.8488 40.746 -6.1566 13.8599 -6.15655 -20.8591 GPRESSAVG: 4636800 -14.5908 41.9283 12.3845 46.6961 39.38 -4.35171 11.8377 -6.9573 -21.2577 TIMING: 4636800 CPU: 13924.6, 0.00295291/step Wall: 13924.6, 0.00295291/step, 0.297915 hours remaining, 209.437500 MB of memory in use. ENERGY: 4636800 747.0202 2079.7401 1934.9522 115.7590 -206522.4040 18020.1672 0.0000 0.0000 34575.3138 -149049.4515 301.9548 -183624.7653 -148945.6899 300.2069 -53.3876 -19.2909 558664.2031 1.3756 1.1772 PRESSURE: 4637000 -29.7394 116.985 91.6384 116.985 -394.724 47.1284 91.6393 47.1283 -73.0294 GPRESSURE: 4637000 34.1293 56.8419 82.5787 83.4439 -337.313 42.8233 57.5256 27.4224 -84.7797 PRESSAVG: 4637000 8.13995 15.3355 2.63073 15.3356 -43.8859 -6.97792 2.63074 -6.97795 -15.8264 GPRESSAVG: 4637000 6.93073 15.7335 5.36691 12.191 -43.7421 -7.9282 2.99592 -6.16711 -14.6055 TIMING: 4637000 CPU: 13925.1, 0.00294264/step Wall: 13925.1, 0.00294264/step, 0.296716 hours remaining, 209.437500 MB of memory in use. ENERGY: 4637000 749.7386 2076.6027 1949.0449 109.3315 -205948.4487 17532.7474 0.0000 0.0000 34396.5097 -149134.4740 300.3933 -183530.9837 -149034.4743 299.8867 -165.8309 -129.3210 558021.4174 -17.1908 -17.1390 PRESSURE: 4637200 28.7053 -81.905 -93.7927 -81.9054 216.81 248.954 -93.7929 248.953 57.2943 GPRESSURE: 4637200 -14.6951 -101.187 -103.223 -5.61091 274.346 336.826 -142.304 236.285 150.186 PRESSAVG: 4637200 -54.4146 36.9758 -24.9392 36.9757 -23.8499 35.718 -24.9392 35.718 84.1912 GPRESSAVG: 4637200 -54.3267 35.9373 -26.7425 38.4511 -24.3903 34.2894 -26.7916 35.6544 84.6586 TIMING: 4637200 CPU: 13925.7, 0.00294973/step Wall: 13925.7, 0.00294973/step, 0.297267 hours remaining, 209.437500 MB of memory in use. ENERGY: 4637200 739.9935 2071.5726 1923.1319 114.3583 -206264.0663 18022.3382 0.0000 0.0000 34242.6275 -149150.0444 299.0494 -183392.6719 -149054.6896 299.6149 100.9365 136.6123 557243.3930 1.9756 1.9806 PRESSURE: 4637400 67.7578 29.5511 5.23008 29.5514 -39.0754 49.3427 5.23051 49.3441 -112.929 GPRESSURE: 4637400 86.5711 48.6863 32.714 -12.6758 -30.3965 -4.63186 -18.8048 52.5246 -48.1286 PRESSAVG: 4637400 -63.6219 23.3823 32.1829 23.3823 56.8478 -14.4393 32.1829 -14.4393 63.0679 GPRESSAVG: 4637400 -64.5611 21.8413 34.1051 24.6686 57.321 -14.2526 34.4488 -14.9878 63.0474 TIMING: 4637400 CPU: 13926.3, 0.00299586/step Wall: 13926.3, 0.00299586/step, 0.30175 hours remaining, 209.437500 MB of memory in use. ENERGY: 4637400 757.2982 2078.2693 1950.3140 117.1514 -206166.4453 17735.2950 0.0000 0.0000 34265.1444 -149262.9730 299.2460 -183528.1175 -149164.8130 299.7427 -28.0822 2.6820 556053.4936 18.7646 18.6024 PRESSURE: 4637600 -104.729 -166.76 86.4587 -166.76 124.179 54.1114 86.4583 54.1109 -122.813 GPRESSURE: 4637600 -86.6592 -133.704 120.557 -229.708 220.321 55.2856 15.0032 53.7842 -141.467 PRESSAVG: 4637600 -51.6736 -13.7303 10.1926 -13.7302 42.7773 32.7841 10.1925 32.7841 -25.0168 GPRESSAVG: 4637600 -52.2569 -12.2253 10.8068 -15.4963 44.0614 32.0663 10.263 33.6117 -25.9012 TIMING: 4637600 CPU: 13926.9, 0.00297453/step Wall: 13926.9, 0.00297453/step, 0.299436 hours remaining, 209.437500 MB of memory in use. ENERGY: 4637600 768.6524 2057.0694 1924.2945 116.3214 -206322.5143 17908.9985 0.0000 0.0000 34279.9154 -149267.2627 299.3750 -183547.1782 -149171.2439 298.8246 -34.4546 -2.6020 558008.8110 -11.3044 -11.3656 PRESSURE: 4637800 -94.4902 56.2931 40.2817 56.2926 -98.4268 -18.8525 40.2817 -18.854 -104.046 GPRESSURE: 4637800 -48.1932 77.2251 43.2411 -3.92477 -81.1142 -14.6359 -1.48116 -49.9357 -70.9533 PRESSAVG: 4637800 -9.31213 6.08052 25.0063 6.08048 -12.766 10.3872 25.0063 10.3871 -16.7761 GPRESSAVG: 4637800 -8.56434 7.93063 23.8056 7.60739 -13.5 11.2674 23.6774 9.3256 -16.3965 TIMING: 4637800 CPU: 13927.5, 0.00298599/step Wall: 13927.5, 0.00298599/step, 0.300424 hours remaining, 209.437500 MB of memory in use. ENERGY: 4637800 788.4875 2036.1944 1913.6277 112.1165 -206386.7987 17955.1020 0.0000 0.0000 34249.1856 -149332.0850 299.1067 -183581.2706 -149233.6551 299.0711 -98.9878 -66.7536 557652.9603 -12.9514 -12.8203 PRESSURE: 4638000 369.837 -83.871 -81.7814 -83.8705 14.3424 -81.7376 -81.7807 -81.7384 -21.7328 GPRESSURE: 4638000 423.694 54.6154 -116.959 -146.083 57.7412 -37.3772 -6.66737 -48.1669 -28.4089 PRESSAVG: 4638000 -18.4651 -24.2064 1.37812 -24.2064 -4.1774 26.9032 1.37804 26.9033 16.4204 GPRESSAVG: 4638000 -18.2689 -26.0393 0.219891 -25.4039 -2.91588 27.5253 4.68463 27.0509 14.7559 TIMING: 4638000 CPU: 13928.1, 0.00298699/step Wall: 13928.1, 0.00298699/step, 0.300359 hours remaining, 209.437500 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: 4638000 718.3635 2091.4326 1943.9930 102.0172 -206327.1244 18021.5770 0.0000 0.0000 34192.3287 -149257.4124 298.6101 -183449.7411 -149158.6041 298.7267 120.8156 151.0088 556804.0165 -2.0740 -2.1430 PRESSURE: 4638200 41.5749 18.5391 4.51957 18.5396 124.872 76.1696 4.51936 76.1693 -100.253 GPRESSURE: 4638200 41.7097 -61.2419 -71.7629 88.607 185.828 90.1969 -23.9454 3.50352 -53.8833 PRESSAVG: 4638200 54.8431 18.9299 -26.255 18.93 -24.2 23.5022 -26.255 23.5022 21.6687 GPRESSAVG: 4638200 54.6266 19.3721 -25.0598 18.277 -23.9454 23.6866 -29.2268 22.3057 21.9708 TIMING: 4638200 CPU: 13928.7, 0.00296979/step Wall: 13928.7, 0.00296979/step, 0.298464 hours remaining, 209.437500 MB of memory in use. ENERGY: 4638200 707.8064 2092.3552 1942.9217 104.6028 -206110.1396 17704.8743 0.0000 0.0000 34305.3380 -149252.2411 299.5970 -183557.5791 -149155.6049 299.6846 22.0646 57.8849 556144.0791 17.4373 17.5506 PRESSURE: 4638400 -76.5858 60.2391 -80.8533 60.2402 -296.763 10.2844 -80.8523 10.2855 -70.7531 GPRESSURE: 4638400 -50.8979 79.2245 -146.407 106.177 -230.42 23.0243 -5.24568 15.4853 -57.6669 PRESSAVG: 4638400 -2.51862 3.80224 -47.9873 3.80223 47.3177 11.7683 -47.9873 11.7683 -64.2833 GPRESSAVG: 4638400 -3.02688 1.63483 -48.1271 5.90246 47.5848 12.646 -45.6208 11.596 -63.2905 TIMING: 4638400 CPU: 13929.3, 0.002977/step Wall: 13929.3, 0.002977/step, 0.299023 hours remaining, 209.437500 MB of memory in use. ENERGY: 4638400 715.6111 2068.1508 1914.9791 116.6485 -206048.6127 17730.6216 0.0000 0.0000 34301.1412 -149201.4603 299.5604 -183502.6015 -149101.4505 299.0867 -148.0341 -112.9950 558108.4123 -6.4948 -6.2442 PRESSURE: 4638600 -378.345 -83.8281 -37.2523 -83.8292 -196.286 -62.4372 -37.2523 -62.4369 -139.195 GPRESSURE: 4638600 -315.587 -13.3832 -22.9452 -65.0282 -159.688 -88.7238 -2.51312 -100.418 -132.321 PRESSAVG: 4638600 -5.21362 -47.8178 -39.9065 -47.8177 -3.3808 -24.2817 -39.9065 -24.2815 10.6778 GPRESSAVG: 4638600 -3.87714 -46.6322 -39.7503 -49.1412 -5.23183 -24.3246 -43.0268 -23.2308 10.9642 TIMING: 4638600 CPU: 13929.9, 0.00296979/step Wall: 13929.9, 0.00296979/step, 0.298133 hours remaining, 209.437500 MB of memory in use. ENERGY: 4638600 788.8677 2116.9079 1931.0560 115.8713 -206246.9045 17566.5028 0.0000 0.0000 34464.6317 -149263.0671 300.9882 -183727.6988 -149161.9893 299.4164 -237.9422 -202.5321 558949.0195 0.6945 0.6184 PRESSURE: 4638800 -41.635 -23.702 82.5319 -23.7004 185.589 -47.0386 82.5323 -47.0366 -187.553 GPRESSURE: 4638800 7.38092 -41.1968 138.217 -35.3333 180.946 23.8109 65.0309 -70.1826 -133.585 PRESSAVG: 4638800 11.5876 27.7357 0.34584 27.7356 26.003 -95.9423 0.345863 -95.9422 -39.1614 GPRESSAVG: 4638800 11.7874 27.153 -1.07376 27.6535 25.4522 -97.8264 3.06412 -94.7447 -39.2172 TIMING: 4638800 CPU: 13930.5, 0.00296328/step Wall: 13930.5, 0.00296328/step, 0.297316 hours remaining, 209.437500 MB of memory in use. ENERGY: 4638800 785.5714 2074.1407 1942.1814 110.7851 -206298.2986 17776.9493 0.0000 0.0000 34284.4942 -149324.1764 299.4150 -183608.6707 -149228.4281 299.3081 -14.5330 18.2473 557945.0195 -0.5236 -0.6592 PRESSURE: 4639000 -176.547 -165.819 24.2049 -165.818 165.001 133.789 24.2054 133.789 -24.1845 GPRESSURE: 4639000 -92.9382 -144.508 72.3046 -151.933 158.912 90.8805 -7.4141 70.6536 -8.236 PRESSAVG: 4639000 -22.9831 19.1947 25.4003 19.1946 46.6334 1.23647 25.4004 1.23651 25.6737 GPRESSAVG: 4639000 -23.6499 20.8022 27.2601 17.4209 48.3005 2.17681 24.4436 -0.201096 24.3114 TIMING: 4639000 CPU: 13931.1, 0.00297752/step Wall: 13931.1, 0.00297752/step, 0.298579 hours remaining, 209.437500 MB of memory in use. ENERGY: 4639000 783.1913 2155.1494 1945.8407 108.5542 -206462.7364 18059.0002 0.0000 0.0000 34057.7797 -149353.2208 297.4351 -183411.0005 -149264.2052 298.8329 -11.9103 19.2459 558936.4333 16.4413 16.3207 PRESSURE: 4639200 -75.0182 101.854 149.214 101.855 72.6859 -149.257 149.214 -149.256 -40.0924 GPRESSURE: 4639200 -66.5776 1.39398 124.913 117.088 143.318 -75.3052 220.062 -155.343 -14.6197 PRESSAVG: 4639200 17.7154 -14.8265 2.14091 -14.8265 23.9273 -6.85345 2.141 -6.85344 -29.483 GPRESSAVG: 4639200 18.7592 -17.4943 0.450218 -11.9714 22.8146 -5.84488 4.44498 -6.30448 -29.6282 TIMING: 4639200 CPU: 13931.7, 0.00295096/step Wall: 13931.7, 0.00295096/step, 0.295751 hours remaining, 209.437500 MB of memory in use. ENERGY: 4639200 755.1441 2160.3390 1910.9682 105.8226 -206161.9586 17726.7709 0.0000 0.0000 34243.3685 -149259.5452 299.0559 -183502.9137 -149156.5172 298.7914 -14.1415 20.7071 557268.4467 4.0532 3.9819 PRESSURE: 4639400 205.342 219.716 -177.163 219.715 145.064 -73.7549 -177.163 -73.7541 53.8013 GPRESSURE: 4639400 226.116 244.409 -150.415 191.49 196.636 -87.1065 -180.042 -94.7013 85.9296 PRESSAVG: 4639400 34.4996 31.0531 55.7627 31.0531 9.16218 -8.71512 55.7627 -8.71515 -19.6992 GPRESSAVG: 4639400 33.5364 30.7964 54.5845 29.8276 8.52812 -7.96632 54.8468 -9.26415 -18.3477 TIMING: 4639400 CPU: 13932.3, 0.00297301/step Wall: 13932.3, 0.00297301/step, 0.297796 hours remaining, 209.437500 MB of memory in use. ENERGY: 4639400 749.8986 2154.4703 1933.6667 111.5347 -206456.1641 18131.4252 0.0000 0.0000 34151.0375 -149224.1311 298.2495 -183375.1686 -149131.5028 299.1888 134.7355 169.5605 557509.3625 7.9875 7.9056 PRESSURE: 4639600 -114.995 113.356 -188.143 113.355 -159.022 107.494 -188.143 107.493 42.9025 GPRESSURE: 4639600 -53.9661 233.296 -231.511 -15.4067 -125.076 158.678 -278.449 129.379 39.9195 PRESSAVG: 4639600 35.6159 5.87541 -40.1177 5.87536 -87.6521 42.7883 -40.1177 42.7882 61.6424 GPRESSAVG: 4639600 36.1677 8.57563 -38.3205 4.94294 -86.6318 42.7354 -40.8053 44.1489 60.6496 TIMING: 4639600 CPU: 13932.9, 0.00296824/step Wall: 13932.9, 0.00296824/step, 0.297154 hours remaining, 209.437500 MB of memory in use. ENERGY: 4639600 755.7044 2020.1076 1950.7433 117.0449 -206078.0863 17720.8928 0.0000 0.0000 34253.9029 -149259.6903 299.1479 -183513.5933 -149157.7757 299.3958 -77.0381 -46.3741 557886.0808 3.2020 3.3952 PRESSURE: 4639800 -45.3807 6.52016 -56.9233 6.52058 58.1172 8.58252 -56.9227 8.58237 -141.627 GPRESSURE: 4639800 -3.7325 -45.6907 -74.9706 19.2784 78.9423 0.153242 -42.884 39.8354 -108.798 PRESSAVG: 4639800 15.9238 -15.8446 -37.0603 -15.8445 -51.4947 31.0338 -37.0602 31.0337 21.8026 GPRESSAVG: 4639800 16.1957 -17.235 -36.0718 -15.8684 -50.3652 30.0844 -37.5097 29.5932 20.7471 TIMING: 4639800 CPU: 13933.5, 0.00296331/step Wall: 13933.5, 0.00296331/step, 0.296496 hours remaining, 209.437500 MB of memory in use. ENERGY: 4639800 753.3140 2085.9859 1938.2945 112.8897 -206271.6305 17793.7237 0.0000 0.0000 34450.6617 -149136.7609 300.8662 -183587.4226 -149036.4880 299.4466 -42.9636 -11.1962 557482.3070 -4.5894 -4.4741 PRESSURE: 4640000 -162.458 -7.92609 103.417 -7.92644 -88.6682 74.1617 103.418 74.1606 -27.5891 GPRESSURE: 4640000 -86.8351 26.4136 -27.8238 -28.8758 -11.0507 83.4694 14.951 21.0621 -94.1074 PRESSAVG: 4640000 5.4464 35.0741 -34.3412 35.0742 4.25277 -25.1304 -34.3412 -25.1303 23.7871 GPRESSAVG: 4640000 5.46273 35.5348 -34.1178 35.3384 3.2591 -26.1686 -36.7211 -24.0868 24.8035 TIMING: 4640000 CPU: 13934.1, 0.00296798/step Wall: 13934.1, 0.00296798/step, 0.296798 hours remaining, 209.437500 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: 4640000 775.1582 2022.8599 1932.3577 105.6020 -205774.7140 17673.0618 0.0000 0.0000 34073.3246 -149192.3498 297.5708 -183265.6744 -149092.3019 299.8562 -92.9052 -63.9977 557882.4567 11.1621 11.1751 PRESSURE: 4640200 -13.3158 -31.1942 45.3122 -31.1937 -191.194 114.125 45.3119 114.124 -68.5505 GPRESSURE: 4640200 22.0099 -0.193469 31.9533 39.123 -133.65 15.9467 22.33 160.566 -62.7592 PRESSAVG: 4640200 -29.012 41.9857 -7.11727 41.9857 1.68191 -10.4185 -7.11726 -10.4185 20.8648 GPRESSAVG: 4640200 -29.2141 43.0743 -8.2732 42.2362 1.19911 -9.07739 -3.4758 -10.5726 21.1217 TIMING: 4640200 CPU: 13934.6, 0.00297334/step Wall: 13934.6, 0.00297334/step, 0.297169 hours remaining, 209.640625 MB of memory in use. ENERGY: 4640200 705.6764 2097.0821 1943.7525 117.7954 -205995.4550 17587.5971 0.0000 0.0000 34395.8245 -149147.7272 300.3873 -183543.5516 -149052.3254 299.9249 -91.0200 -58.1332 558014.5896 -2.1551 -2.2978 LDB: ============= START OF LOAD BALANCING ============== 13938.2 LDB: ============== END OF LOAD BALANCING =============== 13938.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13938.2 LDB: ============= START OF LOAD BALANCING ============== 13938.5 LDB: Largest compute 4774 load 0.028702 is 24.3% of average load 0.118280 LDB: Average compute 0.001729 is 1.5% of average load 0.118280 LDB: TIME 13938.5 LOAD: AVG 0.11828 MAX 0.208854 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.105 MB LDB: TIME 13938.5 LOAD: AVG 0.11828 MAX 0.208854 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 211.105 MB LDB: TIME 13938.5 LOAD: AVG 0.11828 MAX 0.208854 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 211.105 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13938.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13938.5 PRESSURE: 4640400 -214.769 -96.7575 -187.296 -96.7577 -29.2027 -97.4226 -187.297 -97.4229 -35.7914 GPRESSURE: 4640400 -225.878 -128.299 -258.018 -52.1037 -4.37793 -37.1428 -129.237 -123.729 45.2919 PRESSAVG: 4640400 -40.6762 4.7716 -54.5141 4.77165 31.5838 7.78693 -54.5141 7.78686 46.4338 GPRESSAVG: 4640400 -40.9089 4.59311 -55.117 4.82023 32.4523 8.10092 -54.7541 7.35209 46.0626 TIMING: 4640400 CPU: 13935.3, 0.00301503/step Wall: 13935.3, 0.00301503/step, 0.301168 hours remaining, 210.515625 MB of memory in use. ENERGY: 4640400 770.0743 2051.2824 1918.5425 122.1629 -206091.7680 17590.8941 0.0000 0.0000 34545.1882 -149093.6237 301.6917 -183638.8119 -149002.6651 299.5397 -93.2542 -61.6547 557640.8046 12.4471 12.5353 PRESSURE: 4640600 219.551 118.621 -94.8036 118.621 -73.4927 139.086 -94.8027 139.085 28.0557 GPRESSURE: 4640600 190.282 146.775 19.1795 98.0322 -36.3967 162.977 -101.937 47.0581 112.379 PRESSAVG: 4640600 9.48607 -35.2057 30.6231 -35.2057 -57.2577 -3.80608 30.6231 -3.80612 1.82885 GPRESSAVG: 4640600 10.1924 -34.1349 32.0929 -35.8303 -57.3595 -2.89162 29.4915 -4.76182 1.49809 TIMING: 4640600 CPU: 13935.8, 0.00295992/step Wall: 13935.8, 0.00295992/step, 0.295498 hours remaining, 210.515625 MB of memory in use. ENERGY: 4640600 755.3273 2104.7843 1952.4433 105.6564 -206257.4041 17819.6946 0.0000 0.0000 34375.6258 -149143.8723 300.2109 -183519.4981 -149049.6912 300.3506 58.0381 88.7548 556186.4396 -15.3143 -15.2230 PRESSURE: 4640800 -177.274 33.7667 -101.598 33.7661 -281.092 -50.4684 -101.596 -50.4697 -145.143 GPRESSURE: 4640800 -131.194 33.1109 -151.794 40.7124 -205.726 -55.906 -121.607 -17.0593 -175.348 PRESSAVG: 4640800 65.5019 -7.30681 3.65969 -7.30672 -88.5671 38.6153 3.65964 38.6153 -11.5182 GPRESSAVG: 4640800 65.4131 -8.90787 2.48092 -5.93385 -88.9977 36.8676 2.3531 39.4122 -10.9731 TIMING: 4640800 CPU: 13936.4, 0.00296404/step Wall: 13936.4, 0.00296404/step, 0.295746 hours remaining, 210.515625 MB of memory in use. ENERGY: 4640800 739.9626 2057.5776 1942.6772 128.8147 -205587.0250 17265.7257 0.0000 0.0000 34490.1837 -148962.0835 301.2114 -183452.2672 -148861.6157 300.1669 -201.1695 -170.7559 557507.0119 -11.5278 -11.5193 PRESSURE: 4641000 67.8914 -18.4513 111.34 -18.4507 291.606 -56.8166 111.341 -56.8162 476.401 GPRESSURE: 4641000 157.293 -58.8189 24.7409 -37.8531 352.107 -79.2728 52.7728 -20.9324 419.85 PRESSAVG: 4641000 -46.6077 50.1692 0.838852 50.1693 45.0328 -38.1533 0.838779 -38.1533 -20.6288 GPRESSAVG: 4641000 -46.5125 52.079 -0.170911 46.728 44.335 -36.576 5.47736 -38.0678 -20.3847 TIMING: 4641000 CPU: 13937, 0.00297141/step Wall: 13937, 0.00297141/step, 0.296316 hours remaining, 210.515625 MB of memory in use. ENERGY: 4641000 730.6192 2119.5673 1945.0542 112.7951 -206500.9251 18350.7806 0.0000 0.0000 34190.1403 -149051.9685 298.5910 -183242.1088 -148952.0879 299.6696 278.6328 309.7499 558127.7672 -7.4012 -7.5208 PRESSURE: 4641200 -155.204 -87.328 37.0362 -87.3274 -182.871 115.01 37.0367 115.009 -192.3 GPRESSURE: 4641200 -114.118 -191.768 91.2487 -43.9351 -188.415 108.238 -87.6362 71.3504 -149.009 PRESSAVG: 4641200 -6.64622 -2.24739 33.6501 -2.24733 5.11599 -11.0313 33.65 -11.0313 14.2539 GPRESSAVG: 4641200 -7.68704 -4.15151 34.5444 0.0613444 5.80294 -12.0546 29.2581 -9.33142 13.9852 TIMING: 4641200 CPU: 13937.6, 0.00299839/step Wall: 13937.6, 0.00299839/step, 0.298839 hours remaining, 210.515625 MB of memory in use. ENERGY: 4641200 739.5839 2133.7634 1917.5873 102.0615 -205702.8618 17566.9631 0.0000 0.0000 34237.4708 -149005.4317 299.0043 -183242.9026 -148902.6971 299.3655 -176.7916 -150.5140 559304.5517 4.2412 4.0337 PRESSURE: 4641400 176.104 -57.9086 22.4827 -57.9077 43.3935 -90.7385 22.4828 -90.7402 -259.488 GPRESSURE: 4641400 251.561 -93.6973 45.7329 -54.8729 109.206 -109.015 40.3342 -105.154 -290.359 PRESSAVG: 4641400 28.4204 -35.3545 13.4082 -35.3545 -45.2483 -27.2262 13.4082 -27.2261 20.1551 GPRESSAVG: 4641400 28.1876 -35.743 15.6827 -35.5091 -44.255 -27.4413 14.8439 -29.2998 19.5515 TIMING: 4641400 CPU: 13938.2, 0.00298555/step Wall: 13938.2, 0.00298555/step, 0.297394 hours remaining, 210.710938 MB of memory in use. ENERGY: 4641400 744.7576 2061.3623 1950.0604 107.3389 -206036.1404 17897.3861 0.0000 0.0000 34264.7621 -149010.4729 299.2427 -183275.2351 -148913.5726 299.2927 -13.3302 23.4693 557962.0847 1.1091 1.1614 PRESSURE: 4641600 -321.654 -53.7571 -127.328 -53.7564 -257.301 223.056 -127.328 223.057 -121.766 GPRESSURE: 4641600 -332.137 -45.8641 -84.1652 -7.2238 -168.057 180.825 -112.498 160.835 -100.226 PRESSAVG: 4641600 9.91358 -30.793 23.8085 -30.793 55.6822 0.797605 23.8086 0.797593 -61.3863 GPRESSAVG: 4641600 10.3781 -28.1181 20.3127 -32.5192 54.5864 0.960599 26.0448 1.33925 -61.6774 TIMING: 4641600 CPU: 13938.8, 0.00297418/step Wall: 13938.8, 0.00297419/step, 0.296097 hours remaining, 210.710938 MB of memory in use. ENERGY: 4641600 736.6962 2042.5944 1939.3566 114.5428 -205448.4864 17358.0897 0.0000 0.0000 34315.5763 -148941.6303 299.6865 -183257.2066 -148845.8934 299.7530 -233.5735 -200.1400 558530.4427 1.4032 1.0957 PRESSURE: 4641800 -68.903 -195.058 -34.5616 -195.057 -84.3285 107.45 -34.5633 107.449 -184.74 GPRESSURE: 4641800 -75.2789 -274.229 -52.4549 -133.503 -38.6505 142.459 65.797 44.5554 -130.044 PRESSAVG: 4641800 -72.471 -114.296 22.2789 -114.296 29.606 12.0751 22.279 12.0752 18.9415 GPRESSAVG: 4641800 -72.8171 -116.441 23.9856 -113.071 29.3523 12.0528 22.7091 13.0392 19.5529 TIMING: 4641800 CPU: 13939.4, 0.00294722/step Wall: 13939.4, 0.00294722/step, 0.293248 hours remaining, 210.710938 MB of memory in use. ENERGY: 4641800 732.6222 2094.0369 1935.1098 116.0179 -205971.6162 17661.6904 0.0000 0.0000 34484.9171 -148947.2220 301.1654 -183432.1390 -148850.5196 299.8205 -112.6572 -81.3246 557430.0119 -7.9745 -7.9706 PRESSURE: 4642000 -240.171 -96.527 -38.6175 -96.5259 -102.144 -75.6414 -38.6181 -75.6426 -362.287 GPRESSURE: 4642000 -210.841 -135.039 -78.7925 11.9708 -87.2341 -75.0445 -47.1326 -69.7231 -313.178 PRESSAVG: 4642000 -0.944283 -64.1809 9.30983 -64.1808 -17.7699 -28.1393 9.30981 -28.1394 -0.757733 GPRESSAVG: 4642000 -1.08444 -62.6108 8.97077 -65.3991 -17.4783 -28.7667 7.63822 -29.5404 -1.20326 TIMING: 4642000 CPU: 13940, 0.00294426/step Wall: 13940, 0.00294426/step, 0.29279 hours remaining, 210.710938 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: 4642000 736.4377 2080.4445 1924.1526 115.0414 -205727.0342 17267.9423 0.0000 0.0000 34491.6927 -149111.3230 301.2245 -183603.0157 -149014.9942 299.9969 -234.8672 -203.7512 558193.7325 -6.4907 -6.5887 PRESSURE: 4642200 153.85 -131.185 24.9971 -131.184 -144.261 33.4007 24.9959 33.4016 40.4701 GPRESSURE: 4642200 193.762 -131.563 -0.119857 -74.1369 -169.41 98.3439 -19.9989 -30.3287 129.975 PRESSAVG: 4642200 -5.63702 -42.5364 -39.1836 -42.5364 -7.08713 -11.7436 -39.1837 -11.7435 20.0723 GPRESSAVG: 4642200 -5.24483 -44.3496 -39.631 -41.8153 -7.8563 -12.4908 -37.6268 -10.1923 20.3616 TIMING: 4642200 CPU: 13940.6, 0.0029274/step Wall: 13940.6, 0.0029274/step, 0.290951 hours remaining, 210.710938 MB of memory in use. ENERGY: 4642200 748.5027 2015.3915 1928.4882 98.4121 -206041.4401 17730.5548 0.0000 0.0000 34082.9648 -149437.1260 297.6550 -183520.0908 -149343.6891 299.3740 16.6864 51.4423 557007.7068 2.4494 2.4202 PRESSURE: 4642400 -63.3936 57.781 125.755 57.7808 -180.475 10.4633 125.757 10.4638 -107.895 GPRESSURE: 4642400 -32.6594 53.8924 35.7615 112.594 -128.871 38.5228 183.613 38.2904 -97.3777 PRESSAVG: 4642400 2.4369 -9.20807 15.9144 -9.20801 -4.36973 30.1189 15.9144 30.1189 -25.2425 GPRESSAVG: 4642400 1.73136 -6.41893 17.4547 -9.57713 -4.42656 32.4985 13.0865 28.7458 -24.0003 TIMING: 4642400 CPU: 13941.2, 0.00294283/step Wall: 13941.2, 0.00294283/step, 0.292321 hours remaining, 210.710938 MB of memory in use. ENERGY: 4642400 727.7972 2099.8532 1916.0755 105.5768 -205926.8555 17429.3394 0.0000 0.0000 34075.4525 -149572.7609 297.5894 -183648.2134 -149468.4618 298.4676 -117.2544 -86.3026 557342.1415 -9.0584 -8.8985 PRESSURE: 4642600 -410.831 44.5247 -70.9758 44.525 -84.1567 -74.606 -70.9753 -74.6064 -80.4635 GPRESSURE: 4642600 -375.036 24.4177 -18.2447 71.9785 -83.7901 -173.822 -105.791 -18.0481 -35.9157 PRESSAVG: 4642600 -31.2225 4.88611 -35.8424 4.88609 19.5093 11.6627 -35.8424 11.6628 -9.546 GPRESSAVG: 4642600 -30.9402 2.35369 -37.1041 5.28683 20.1742 10.1288 -34.1179 10.1396 -10.2657 TIMING: 4642600 CPU: 13941.8, 0.00295026/step Wall: 13941.8, 0.00295026/step, 0.292895 hours remaining, 210.710938 MB of memory in use. ENERGY: 4642600 796.4453 2038.0148 1920.7789 110.9769 -205762.7501 17352.9192 0.0000 0.0000 34054.3143 -149489.3007 297.4048 -183543.6149 -149393.4140 297.8440 -191.8171 -164.9138 556296.3236 -7.0864 -7.0106 PRESSURE: 4642800 -191.467 57.5582 -149.024 57.5586 -156.241 190.775 -149.024 190.775 -315.458 GPRESSURE: 4642800 -163.476 -19.5445 -113.84 123.353 -159.442 149.367 -128.822 128.182 -259.222 PRESSAVG: 4642800 -48.5165 -9.50349 -57.3018 -9.50345 32.3967 47.3614 -57.3017 47.3613 21.0668 GPRESSAVG: 4642800 -48.6375 -9.5607 -56.8723 -8.92317 32.3058 47.456 -56.3773 47.3645 21.1641 TIMING: 4642800 CPU: 13942.4, 0.00297729/step Wall: 13942.4, 0.00297729/step, 0.295413 hours remaining, 210.710938 MB of memory in use. ENERGY: 4642800 776.1462 2114.0256 1945.2505 131.0517 -206040.4272 17481.9337 0.0000 0.0000 34105.2717 -149486.7477 297.8498 -183592.0194 -149388.6122 298.6249 -221.0554 -194.0466 557069.2601 1.6490 1.6108 PRESSURE: 4643000 -216.499 -94.5345 144.761 -94.5343 195.064 -29.9047 144.76 -29.9055 135.448 GPRESSURE: 4643000 -140.671 5.20302 75.5234 -222.757 183.788 -15.4996 155.832 -93.874 164.977 PRESSAVG: 4643000 -57.2953 27.3384 -15.4358 27.3383 29.6426 -30.9297 -15.4359 -30.9298 52.0132 GPRESSAVG: 4643000 -57.0568 27.6111 -15.3554 26.3003 29.9582 -31.6852 -17.1383 -29.4862 51.4339 TIMING: 4643000 CPU: 13943, 0.00296677/step Wall: 13943, 0.00296677/step, 0.294205 hours remaining, 210.710938 MB of memory in use. ENERGY: 4643000 751.4699 2066.0885 1922.1343 116.0450 -206384.2387 17832.4798 0.0000 0.0000 34104.2711 -149591.7501 297.8411 -183696.0212 -149488.1758 298.9400 38.0042 69.3644 556497.6851 8.1202 8.1118 PRESSURE: 4643200 -151.158 -97.3606 -220.813 -97.3613 -228.871 15.5826 -220.812 15.5827 71.066 GPRESSURE: 4643200 -65.6633 -169.635 -247.237 -56.0894 -188.339 -10.3146 -159.644 20.4407 34.4111 PRESSAVG: 4643200 -9.57053 33.3535 3.13873 33.3534 24.7806 -115.746 3.13874 -115.746 -17.2582 GPRESSAVG: 4643200 -9.54703 33.8704 4.71318 33.5161 23.247 -114.142 4.69525 -116.529 -16.2527 TIMING: 4643200 CPU: 13943.6, 0.00298897/step Wall: 13943.6, 0.00298897/step, 0.29624 hours remaining, 210.710938 MB of memory in use. ENERGY: 4643200 744.9382 2044.2735 1945.9948 107.7887 -206114.2687 17699.6484 0.0000 0.0000 34271.8227 -149299.8024 299.3044 -183571.6251 -149206.8020 298.4849 -102.9875 -73.1972 558237.3982 -0.6827 -0.8509 PRESSURE: 4643400 115.451 85.2671 72.6554 85.266 -135.181 -117.955 72.6552 -117.956 214.24 GPRESSURE: 4643400 127.289 82.8849 124.01 37.6431 -69.358 -237.329 -13.135 -97.182 241.584 PRESSAVG: 4643400 -25.3681 21.9519 -39.0555 21.952 56.8439 -23.0551 -39.0554 -23.055 15.0004 GPRESSAVG: 4643400 -26.2858 22.4708 -39.6749 23.6309 57.8837 -22.2139 -40.2048 -23.8915 14.8811 TIMING: 4643400 CPU: 13944.2, 0.00299677/step Wall: 13944.2, 0.00299677/step, 0.296847 hours remaining, 210.710938 MB of memory in use. ENERGY: 4643400 731.7887 2077.7711 1922.9794 107.9458 -206614.8036 17871.2695 0.0000 0.0000 34485.0637 -149417.9854 301.1666 -183903.0491 -149319.7909 299.1816 64.8365 99.8381 556485.3345 15.4921 15.4930 PRESSURE: 4643600 7.24883 109.76 -52.9121 109.759 -69.1087 -144.802 -52.9116 -144.801 -89.3497 GPRESSURE: 4643600 78.8351 96.4938 -52.6968 140.67 -45.2557 -133.503 2.3243 -91.1376 -79.8782 PRESSAVG: 4643600 -14.6745 14.6292 -51.7772 14.6292 -3.81148 2.57893 -51.7771 2.57882 74.2648 GPRESSAVG: 4643600 -13.6142 13.9126 -54.6742 13.589 -3.70412 0.986775 -50.6414 3.50966 72.8066 TIMING: 4643600 CPU: 13944.7, 0.00297896/step Wall: 13944.7, 0.00297897/step, 0.294918 hours remaining, 210.710938 MB of memory in use. ENERGY: 4643600 758.9790 2098.1170 1932.6985 115.2831 -206149.3552 17706.4148 0.0000 0.0000 34257.5608 -149280.3019 299.1798 -183537.8628 -149188.8087 298.9599 -50.4032 -15.4329 556844.5492 18.5929 18.4961 PRESSURE: 4643800 -43.7528 -101.812 -58.49 -101.812 45.1111 -25.2367 -58.4892 -25.2366 63.4767 GPRESSURE: 4643800 18.6077 -74.0576 -36.111 -178.847 93.4794 -27.8177 -17.8926 17.3893 47.7086 PRESSAVG: 4643800 -3.11192 -44.5996 -11.4778 -44.5997 -4.29954 -22.586 -11.4779 -22.5861 -16.7024 GPRESSAVG: 4643800 -4.43444 -44.8134 -11.043 -43.5779 -3.71189 -22.1225 -12.6435 -22.5637 -15.727 TIMING: 4643800 CPU: 13945.3, 0.00296772/step Wall: 13945.3, 0.00296772/step, 0.29364 hours remaining, 210.710938 MB of memory in use. ENERGY: 4643800 719.6735 2112.5617 1939.2070 119.2578 -206350.5937 17930.8184 0.0000 0.0000 34273.4007 -149255.6745 299.3181 -183529.0752 -149156.8074 298.9527 21.6117 53.2652 558217.4190 -8.0380 -7.9578 PRESSURE: 4644000 -9.45642 -159.148 61.149 -159.146 127.003 23.9371 61.1485 23.9374 -236.459 GPRESSURE: 4644000 -2.15707 -166.154 -6.21339 -129.629 186.521 6.07399 158.759 48.3569 -193.991 PRESSAVG: 4644000 16.2299 -65.1428 -20.1887 -65.1428 44.4129 14.8049 -20.1886 14.8049 -12.3325 GPRESSAVG: 4644000 16.7466 -63.6669 -18.5498 -64.6108 43.8029 13.0101 -22.2682 15.2782 -11.9509 TIMING: 4644000 CPU: 13945.9, 0.00296435/step Wall: 13945.9, 0.00296435/step, 0.293141 hours remaining, 210.710938 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: 4644000 741.9919 2050.5596 1956.5141 127.8665 -206112.4312 17703.5605 0.0000 0.0000 34177.3840 -149354.5545 298.4796 -183531.9385 -149252.8320 298.6110 -39.6377 -3.2090 559680.5297 16.1034 16.1995 PRESSURE: 4644200 159.438 -262.611 -69.7292 -262.611 71.6439 -115.911 -69.7293 -115.912 -68.7871 GPRESSURE: 4644200 158.875 -216.566 -40.8247 -299.414 109.145 -137.247 -43.9387 -100.301 -15.7077 PRESSAVG: 4644200 -7.47175 -22.3037 71.6065 -22.3037 5.22163 12.4911 71.6065 12.4912 -24.8157 GPRESSAVG: 4644200 -6.39069 -23.8705 71.3834 -24.0752 4.39733 14.0013 74.1181 14.2424 -25.2356 TIMING: 4644200 CPU: 13946.5, 0.00302086/step Wall: 13946.5, 0.00302086/step, 0.298561 hours remaining, 210.710938 MB of memory in use. ENERGY: 4644200 701.6173 2097.3022 1945.0065 118.1290 -206211.6351 17865.3741 0.0000 0.0000 34272.2388 -149211.9673 299.3080 -183484.2061 -149111.1165 298.4636 54.0981 84.1041 558238.7187 -9.0219 -9.0763 LDB: ============= START OF LOAD BALANCING ============== 13950.1 LDB: ============== END OF LOAD BALANCING =============== 13950.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13950.1 LDB: ============= START OF LOAD BALANCING ============== 13950.4 LDB: Largest compute 4796 load 0.026490 is 22.4% of average load 0.118240 LDB: Average compute 0.001727 is 1.5% of average load 0.118240 LDB: TIME 13950.4 LOAD: AVG 0.11824 MAX 0.210582 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.16 MB LDB: TIME 13950.4 LOAD: AVG 0.11824 MAX 0.210582 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.16 MB LDB: TIME 13950.4 LOAD: AVG 0.11824 MAX 0.210582 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.16 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13950.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13950.4 PRESSURE: 4644400 -3.31029 -89.3526 -10.3291 -89.3528 26.0043 26.4079 -10.3299 26.4087 -199.109 GPRESSURE: 4644400 41.5053 -83.1926 28.0795 -103.162 80.7995 -31.6237 90.2231 74.1641 -190.7 PRESSAVG: 4644400 28.6084 -27.5935 -10.1906 -27.5935 -43.7617 11.8654 -10.1906 11.8654 16.647 GPRESSAVG: 4644400 27.9625 -27.7497 -8.55868 -27.4942 -42.3831 11.888 -12.3001 8.37721 16.0359 TIMING: 4644400 CPU: 13947.1, 0.00305777/step Wall: 13947.1, 0.00305777/step, 0.30204 hours remaining, 210.062500 MB of memory in use. ENERGY: 4644400 759.2680 2078.7535 1930.1281 109.0784 -206026.5827 17817.0908 0.0000 0.0000 34037.2864 -149294.9775 297.2561 -183332.2639 -149197.4479 299.4298 -58.8050 -22.7983 557725.0516 0.4979 0.5384 PRESSURE: 4644600 -35.4901 -100.822 -34.273 -100.823 173.035 71.6494 -34.2739 71.6483 -198.972 GPRESSURE: 4644600 26.4958 -124.081 -53.9108 4.29734 147.854 85.742 -118.166 54.9946 -126.337 PRESSAVG: 4644600 -23.1635 -80.0819 68.4138 -80.082 -51.7788 -87.6419 68.4138 -87.6419 17.5669 GPRESSAVG: 4644600 -22.2077 -80.2403 66.6808 -78.9495 -52.7465 -85.644 68.724 -85.7966 17.801 TIMING: 4644600 CPU: 13947.7, 0.00300058/step Wall: 13947.7, 0.00300058/step, 0.296224 hours remaining, 210.062500 MB of memory in use. ENERGY: 4644600 695.1977 2072.3118 1938.9766 118.0525 -206310.6102 17828.0289 0.0000 0.0000 34405.8043 -149252.2385 300.4744 -183658.0428 -149157.6712 298.7401 -20.4758 16.0042 556699.4380 -19.1251 -19.0511 PRESSURE: 4644800 8.27413 -183.009 -0.521145 -183.01 72.3088 -34.6632 -0.521891 -34.6649 33.8333 GPRESSURE: 4644800 42.6182 -236.44 -3.36255 -103.752 128.888 48.6832 -19.8475 -52.8313 32.4033 PRESSAVG: 4644800 5.48583 -66.3119 -21.6692 -66.3119 78.9996 -7.91229 -21.6692 -7.91237 -56.7167 GPRESSAVG: 4644800 4.41358 -66.3445 -21.2778 -66.9918 79.695 -10.0636 -20.3312 -8.06675 -56.8739 TIMING: 4644800 CPU: 13948.3, 0.00299642/step Wall: 13948.3, 0.00299642/step, 0.295647 hours remaining, 210.062500 MB of memory in use. ENERGY: 4644800 740.3175 2129.4383 1913.6466 117.7268 -206225.0471 17959.4529 0.0000 0.0000 34154.7646 -149209.7005 298.2821 -183364.4650 -149113.0282 299.7331 38.1387 67.9698 557313.2604 9.2562 9.0782 PRESSURE: 4645000 -80.1611 29.0131 83.3251 29.0126 120.911 -11.6815 83.3255 -11.6809 -386.109 GPRESSURE: 4645000 -40.9968 29.7372 112.042 9.69505 133.755 -132.368 99.4997 74.7566 -341.673 PRESSAVG: 4645000 -14.0202 -29.0573 33.0522 -29.0573 39.2354 19.4243 33.0522 19.4242 49.954 GPRESSAVG: 4645000 -13.778 -28.6917 33.4668 -27.9921 38.549 19.8683 31.9757 17.5968 50.8712 TIMING: 4645000 CPU: 13948.9, 0.00299891/step Wall: 13948.9, 0.00299891/step, 0.295726 hours remaining, 210.226562 MB of memory in use. ENERGY: 4645000 751.9212 2078.8591 1923.4035 122.0928 -206076.3979 17657.5459 0.0000 0.0000 34196.5884 -149345.9870 298.6473 -183542.5754 -149254.8011 299.0654 -115.1198 -82.9717 557825.0080 25.0564 25.2141 PRESSURE: 4645200 21.1828 130.686 40.4475 130.685 82.9418 56.98 40.4478 56.9804 143.277 GPRESSURE: 4645200 53.3022 167.178 14.2723 46.4956 117.933 115.053 160.151 -4.25769 172.205 PRESSAVG: 4645200 -27.617 -10.6525 39.4535 -10.6526 95.5829 3.92284 39.4534 3.92286 -40.2281 GPRESSAVG: 4645200 -26.8214 -10.659 40.2894 -13.3884 95.3005 3.94044 39.1107 7.01052 -40.6667 TIMING: 4645200 CPU: 13949.5, 0.00300494/step Wall: 13949.5, 0.00300494/step, 0.296154 hours remaining, 210.226562 MB of memory in use. ENERGY: 4645200 748.3856 2104.8759 1918.9476 109.9710 -206259.8474 17768.1742 0.0000 0.0000 34349.5645 -149259.9288 299.9833 -183609.4933 -149161.0650 298.6433 82.4672 114.4798 556411.1969 9.2460 9.2708 PRESSURE: 4645400 -26.1075 -110.022 14.6432 -110.022 66.5916 117.845 14.6427 117.845 -80.4533 GPRESSURE: 4645400 81.7513 -139.249 -13.3535 -59.589 35.5671 84.6013 2.48009 140.299 -70.9186 PRESSAVG: 4645400 -12.4486 26.1987 -33.6541 26.1988 36.2636 39.3215 -33.6541 39.3215 5.38553 GPRESSAVG: 4645400 -12.901 26.034 -36.1686 28.1194 37.5876 39.0375 -32.0864 38.0422 4.26841 TIMING: 4645400 CPU: 13950.1, 0.00296846/step Wall: 13950.1, 0.00296846/step, 0.292393 hours remaining, 210.226562 MB of memory in use. ENERGY: 4645400 784.3581 2087.1883 1942.4241 119.6575 -206191.0453 17868.1092 0.0000 0.0000 34183.2821 -149206.0260 298.5311 -183389.3081 -149114.0364 299.3625 -13.3231 15.4666 558097.0943 9.7335 9.6517 PRESSURE: 4645600 -144.322 -128.481 -6.31249 -128.479 73.9292 80.8019 -6.31277 80.8027 25.8062 GPRESSURE: 4645600 -59.2629 -213.003 -19.3819 -83.3812 53.0225 134.853 -1.04258 11.912 42.5607 PRESSAVG: 4645600 -30.7001 -36.4124 -6.66986 -36.4124 -16.5858 52.4268 -6.6699 52.4269 53.1735 GPRESSAVG: 4645600 -30.6555 -37.1767 -6.58269 -37.5321 -17.9957 52.8617 -6.48708 52.2565 53.672 TIMING: 4645600 CPU: 13950.7, 0.00299891/step Wall: 13950.7, 0.00299891/step, 0.295226 hours remaining, 210.226562 MB of memory in use. ENERGY: 4645600 746.1901 2135.2712 1936.0490 120.4986 -206304.4036 17864.1536 0.0000 0.0000 34308.0285 -149194.2127 299.6205 -183502.2411 -149098.7159 299.2896 -14.8624 12.1068 558249.7994 1.9625 1.6736 PRESSURE: 4645800 37.7312 15.9631 156.095 15.9629 99.3631 248.519 156.095 248.519 247.047 GPRESSURE: 4645800 60.2255 -91.9512 145.834 47.9352 139.693 239.092 280.538 241.363 283.825 PRESSAVG: 4645800 -84.514 0.705054 12.2369 0.705072 40.4782 27.3293 12.2368 27.3293 58.835 GPRESSAVG: 4645800 -84.6688 1.60233 13.6319 0.494936 40.7438 29.3175 9.84497 27.4647 59.154 TIMING: 4645800 CPU: 13951.3, 0.00298125/step Wall: 13951.3, 0.00298125/step, 0.293322 hours remaining, 210.226562 MB of memory in use. ENERGY: 4645800 711.3501 2160.7002 1934.1166 105.7449 -206643.0986 18054.1686 0.0000 0.0000 34295.5184 -149381.4998 299.5113 -183677.0182 -149291.3057 298.8358 128.0471 161.2478 556932.5738 4.9331 5.0763 PRESSURE: 4646000 -329.574 21.5303 -146.243 21.5302 -198.436 -77.4895 -146.244 -77.4865 -14.5424 GPRESSURE: 4646000 -315.898 7.7913 -201.299 45.9941 -134.053 -20.9105 -69.8484 -110.268 5.72713 PRESSAVG: 4646000 0.900044 10.1199 4.3956 10.1199 -64.0904 19.4917 4.39554 19.4918 16.2811 GPRESSAVG: 4646000 1.16352 11.4537 2.70328 10.9317 -63.9247 17.8917 5.68434 21.8623 16.2825 TIMING: 4646000 CPU: 13951.9, 0.00298135/step Wall: 13951.9, 0.00298135/step, 0.293166 hours remaining, 210.226562 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: 4646000 740.5489 2059.9316 1950.2963 116.6214 -206418.7523 17702.3815 0.0000 0.0000 34334.4618 -149514.5108 299.8514 -183848.9726 -149412.0951 299.3423 -180.8509 -148.0747 557178.4328 -15.6364 -15.4929 PRESSURE: 4646200 -21.9126 107.512 24.8624 107.512 155.241 69.6837 24.8617 69.683 -41.3494 GPRESSURE: 4646200 31.0242 122.717 120.984 39.9861 185.589 145.703 -34.1683 104.297 -21.5098 PRESSAVG: 4646200 -51.1756 -26.4345 22.8747 -26.4344 14.0739 32.278 22.8746 32.278 -4.83486 GPRESSAVG: 4646200 -50.9693 -30.0581 23.7422 -26.5678 14.5819 33.4781 24.7544 30.7616 -4.74238 TIMING: 4646200 CPU: 13952.5, 0.00298184/step Wall: 13952.5, 0.00298184/step, 0.293049 hours remaining, 210.226562 MB of memory in use. ENERGY: 4646200 724.7177 2122.0665 1953.7370 106.7539 -206644.2245 17940.8203 0.0000 0.0000 34243.6486 -149552.4805 299.0583 -183796.1291 -149454.0498 298.5960 30.6598 65.0346 556899.3914 -13.9789 -13.7100 PRESSURE: 4646400 -180.363 73.5946 -32.0557 73.5933 -127.885 -52.9964 -32.0557 -52.9957 -284.302 GPRESSURE: 4646400 -194.09 -3.9867 -65.8046 37.3031 -70.5027 -53.5455 11.5054 -99.311 -238.199 PRESSAVG: 4646400 -6.35591 -8.97579 -62.0935 -8.97577 42.07 -22.9967 -62.0935 -22.9966 -11.1537 GPRESSAVG: 4646400 -5.5918 -7.62565 -62.5481 -10.4125 42.1422 -23.7706 -62.0152 -21.8793 -11.5058 TIMING: 4646400 CPU: 13953.1, 0.00298217/step Wall: 13953.1, 0.00298217/step, 0.292916 hours remaining, 210.226562 MB of memory in use. ENERGY: 4646400 754.2984 2071.6512 1943.6744 115.0792 -206220.6324 17670.6339 0.0000 0.0000 34229.2439 -149436.0513 298.9325 -183665.2953 -149341.6712 299.1170 -197.5166 -167.5973 557721.0784 8.1868 8.3482 PRESSURE: 4646600 27.3431 58.0044 -74.1798 58.0046 40.7928 -15.1221 -74.1806 -15.1219 146.501 GPRESSURE: 4646600 29.5743 72.6385 -127.353 59.9552 43.3025 -12.2581 -41.8482 -38.133 236.462 PRESSAVG: 4646600 -37.9734 15.7047 -53.0552 15.7048 16.045 13.4309 -53.0552 13.4309 -8.3363 GPRESSAVG: 4646600 -38.3713 16.5325 -53.6156 14.9299 16.0501 12.8977 -54.6632 12.5328 -8.14798 TIMING: 4646600 CPU: 13953.7, 0.00295968/step Wall: 13953.7, 0.00295968/step, 0.290542 hours remaining, 210.226562 MB of memory in use. ENERGY: 4646600 780.7049 2073.3732 1929.0608 117.8608 -206452.7296 17964.4579 0.0000 0.0000 34186.2767 -149400.9953 298.5573 -183587.2721 -149307.4839 298.7775 71.5455 103.1129 556706.3814 -10.0883 -10.1564 PRESSURE: 4646800 27.6891 -49.3017 73.1046 -49.3026 -163.416 -24.9353 73.1044 -24.9335 -107.258 GPRESSURE: 4646800 31.1578 -98.8091 46.5026 -4.68353 -38.067 -63.6726 37.3878 57.8846 -136.45 PRESSAVG: 4646800 -38.5883 29.8121 36.5857 29.812 23.7631 -31.5598 36.5857 -31.5597 29.5276 GPRESSAVG: 4646800 -38.6033 29.5626 37.125 32.0439 23.6234 -31.3734 37.6417 -30.8981 29.7495 TIMING: 4646800 CPU: 13954.3, 0.00295585/step Wall: 13954.3, 0.00295585/step, 0.290002 hours remaining, 210.226562 MB of memory in use. ENERGY: 4646800 740.5393 2091.0488 1940.5686 99.6461 -206296.6676 17659.8080 0.0000 0.0000 34416.7920 -149348.2649 300.5704 -183765.0569 -149251.6996 299.4260 -80.9948 -47.7865 557985.4200 4.9008 4.9232 PRESSURE: 4647000 57.9983 70.0389 55.898 70.0386 69.8025 184.705 55.8989 184.704 -36.2289 GPRESSURE: 4647000 81.3557 108.889 127.556 129.088 65.1646 192.068 35.2211 174.601 37.2627 PRESSAVG: 4647000 -12.2462 -24.048 -21.9597 -24.0481 0.830886 36.8121 -21.9598 36.8122 -1.73383 GPRESSAVG: 4647000 -12.4165 -25.1025 -22.9761 -23.6785 1.66831 38.0519 -20.5535 36.0052 -1.71764 TIMING: 4647000 CPU: 13954.9, 0.00294854/step Wall: 13954.9, 0.00294854/step, 0.289121 hours remaining, 210.226562 MB of memory in use. ENERGY: 4647000 760.1314 2079.6997 1922.7583 116.1517 -206507.4296 18030.6643 0.0000 0.0000 34387.5680 -149210.4563 300.3152 -183598.0242 -149110.4007 299.6821 30.5240 61.2610 557865.3663 -4.3830 -4.1553 PRESSURE: 4647200 167.257 6.92036 -14.2295 6.91863 186.495 -81.8056 -14.2289 -81.805 175.941 GPRESSURE: 4647200 202.479 43.8871 11.9805 27.035 236.294 -38.009 -67.7585 -192.932 187.627 PRESSAVG: 4647200 33.1231 3.04894 27.8006 3.04891 16.4953 14.7454 27.8005 14.7454 -39.5942 GPRESSAVG: 4647200 33.9875 3.05057 29.1195 2.17482 15.6229 13.9872 28.0199 12.2714 -39.6104 TIMING: 4647200 CPU: 13955.5, 0.00297008/step Wall: 13955.5, 0.00297008/step, 0.291068 hours remaining, 210.226562 MB of memory in use. ENERGY: 4647200 724.4307 2155.4333 1958.7751 131.4882 -206420.1884 17971.1088 0.0000 0.0000 34285.5539 -149193.3983 299.4243 -183478.9522 -149098.5910 299.4125 176.5639 208.7998 556844.7019 3.3414 3.3334 PRESSURE: 4647400 -126.932 41.1798 73.5902 41.1803 116.289 29.2035 73.5905 29.2029 -235.765 GPRESSURE: 4647400 -121.88 -52.5818 47.2114 136.834 135.175 61.2607 109.588 -5.81682 -172.609 PRESSAVG: 4647400 18.6069 25.841 17.3928 25.8409 -4.39207 -82.1505 17.3927 -82.1504 -21.5939 GPRESSAVG: 4647400 17.7296 25.401 17.008 25.3058 -3.02225 -82.4324 15.7935 -79.8313 -22.0661 TIMING: 4647400 CPU: 13956.1, 0.00297905/step Wall: 13956.1, 0.00297905/step, 0.291781 hours remaining, 210.226562 MB of memory in use. ENERGY: 4647400 744.1868 2135.6689 1946.8378 118.6066 -206130.5775 17643.0120 0.0000 0.0000 34331.3480 -149210.9173 299.8242 -183542.2653 -149110.9847 299.2649 -82.1360 -53.1044 558351.2458 -2.4597 -2.4529 PRESSURE: 4647600 -438.924 65.2408 -27.0498 65.2413 -270.458 -66.6552 -27.05 -66.6565 -190.642 GPRESSURE: 4647600 -382.155 100.425 -30.3667 48.1478 -264.893 -53.867 18.853 -152.002 -148.661 PRESSAVG: 4647600 -34.0077 -6.40694 69.2698 -6.40691 48.1573 -7.28759 69.2698 -7.28769 20.1197 GPRESSAVG: 4647600 -33.2078 -4.90681 68.5456 -7.06728 47.4948 -6.62143 69.7633 -9.49119 19.9596 TIMING: 4647600 CPU: 13956.7, 0.00297652/step Wall: 13956.7, 0.00297652/step, 0.291368 hours remaining, 210.226562 MB of memory in use. ENERGY: 4647600 752.6061 2070.4237 1971.5150 120.4322 -206143.1155 17595.1757 0.0000 0.0000 34472.2948 -149160.6680 301.0551 -183632.9628 -149067.4733 299.2791 -300.0079 -265.2362 557899.2861 11.4231 11.4155 PRESSURE: 4647800 11.575 2.37719 -94.8771 2.37807 -45.8262 126.082 -94.8783 126.083 77.8412 GPRESSURE: 4647800 63.569 41.3318 7.62398 -89.9185 -40.1177 87.3999 -149.852 98.5975 114.529 PRESSAVG: 4647800 53.572 15.1249 32.6172 15.125 -80.9145 -15.6658 32.6172 -15.6657 30.2095 GPRESSAVG: 4647800 53.8294 14.6049 31.654 16.4541 -80.8392 -18.4001 34.4104 -13.7867 29.8584 TIMING: 4647800 CPU: 13957.3, 0.00296989/step Wall: 13957.3, 0.00296989/step, 0.290554 hours remaining, 210.226562 MB of memory in use. ENERGY: 4647800 771.1213 2202.3933 1941.5210 112.5971 -206312.0194 18017.8260 0.0000 0.0000 34285.8219 -148980.7387 299.4266 -183266.5606 -148886.3639 299.4842 14.5300 45.9935 557837.4648 0.9557 0.9495 PRESSURE: 4648000 -40.7736 -100.052 -31.7203 -100.054 -26.7657 -172.394 -31.7203 -172.393 -139.984 GPRESSURE: 4648000 -87.1462 -153.742 5.88568 -77.4045 48.727 -131.82 -164.909 -202.982 -68.4678 PRESSAVG: 4648000 31.9029 52.4364 -27.2828 52.4365 -4.07114 -38.615 -27.2829 -38.615 15.3344 GPRESSAVG: 4648000 31.1143 53.5979 -26.6213 51.6051 -3.93191 -34.8611 -28.2899 -40.5414 16.1697 TIMING: 4648000 CPU: 13957.9, 0.00295448/step Wall: 13957.9, 0.00295448/step, 0.288883 hours remaining, 210.476562 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: 4648000 759.7316 2137.1568 1955.3817 120.5734 -205690.7315 17668.3653 0.0000 0.0000 34030.2709 -149019.2519 297.1948 -183049.5227 -148920.4803 299.7658 -69.1745 -35.6290 558605.5488 14.3887 14.4507 PRESSURE: 4648200 -125.922 -164.009 -57.5637 -164.01 -59.1757 -78.6277 -57.5634 -78.6285 -54.1847 GPRESSURE: 4648200 -36.23 -202.066 -1.01696 -133.089 -107.189 10.1048 -92.8728 -86.864 6.87405 PRESSAVG: 4648200 -46.8804 -34.1603 -46.8702 -34.1601 8.20079 -13.0422 -46.8702 -13.0422 -9.44836 GPRESSAVG: 4648200 -47.2525 -34.7822 -47.4091 -32.6702 8.04383 -14.9284 -46.0214 -9.89133 -9.28506 TIMING: 4648200 CPU: 13958.5, 0.00297891/step Wall: 13958.5, 0.00297891/step, 0.291106 hours remaining, 210.476562 MB of memory in use. ENERGY: 4648200 740.7266 2083.5632 1927.7769 133.0578 -206170.3293 17797.6676 0.0000 0.0000 34304.0975 -149183.4396 299.5862 -183487.5370 -149087.7132 299.8119 -79.7609 -45.5149 557703.6005 -16.0426 -16.1646 LDB: ============= START OF LOAD BALANCING ============== 13962 LDB: ============== END OF LOAD BALANCING =============== 13962 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13962 LDB: ============= START OF LOAD BALANCING ============== 13962.3 LDB: Largest compute 4774 load 0.027361 is 23.1% of average load 0.118192 LDB: Average compute 0.001736 is 1.5% of average load 0.118192 LDB: TIME 13962.3 LOAD: AVG 0.118192 MAX 0.207137 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.59 MB LDB: TIME 13962.3 LOAD: AVG 0.118192 MAX 0.207137 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.59 MB LDB: TIME 13962.3 LOAD: AVG 0.118192 MAX 0.207137 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.59 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13962.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13962.3 PRESSURE: 4648400 -0.975689 4.62947 8.59469 4.62959 -28.8434 30.6101 8.59342 30.6085 -254.402 GPRESSURE: 4648400 22.2161 41.4569 25.3003 -27.0315 -16.7093 -3.47519 32.5945 30.8608 -200.963 PRESSAVG: 4648400 -28.9016 -28.7027 -38.8833 -28.7026 19.2749 -17.9929 -38.8832 -17.9928 -26.8368 GPRESSAVG: 4648400 -28.7418 -29.3172 -39.3125 -28.31 18.6675 -17.8053 -40.1776 -19.3984 -26.7319 TIMING: 4648400 CPU: 13959.1, 0.00306519/step Wall: 13959.1, 0.00306519/step, 0.299367 hours remaining, 208.773438 MB of memory in use. ENERGY: 4648400 786.0932 2098.6364 1934.7622 107.7026 -206285.7722 17869.0048 0.0000 0.0000 34152.9061 -149336.6670 298.2658 -183489.5731 -149247.2730 299.1816 -94.7405 -65.1520 558722.3620 -12.1545 -12.2687 PRESSURE: 4648600 -111.5 -74.0965 -30.8372 -74.0967 123.183 -62.9754 -30.8371 -62.9764 -192.445 GPRESSURE: 4648600 -87.942 -199.799 60.4281 13.4365 102.717 31.2612 -120.421 -64.2877 -103.834 PRESSAVG: 4648600 -36.2009 -40.8158 -1.50023 -40.8159 50.6344 70.2058 -1.50023 70.2057 -58.0579 GPRESSAVG: 4648600 -36.906 -39.732 -1.24871 -41.1319 50.0828 68.0687 -1.55488 70.2695 -57.0132 TIMING: 4648600 CPU: 13959.7, 0.0030055/step Wall: 13959.7, 0.0030055/step, 0.29337 hours remaining, 209.031250 MB of memory in use. ENERGY: 4648600 740.6223 2077.4828 1915.0142 99.7994 -206078.4560 17673.6954 0.0000 0.0000 34489.5205 -149082.3214 301.2056 -183571.8419 -148984.1511 298.9022 -60.2542 -29.6864 558021.4433 -14.5415 -14.6121 PRESSURE: 4648800 356.59 -33.6861 -63.8233 -33.6857 -100.932 -68.686 -63.8235 -68.6864 -157.607 GPRESSURE: 4648800 358.986 -66.7258 -6.43341 7.73637 -31.889 -144.482 -74.0473 -0.166182 -123.777 PRESSAVG: 4648800 -11.6478 -49.7471 16.6386 -49.7471 20.3481 7.58922 16.6386 7.58924 11.1403 GPRESSAVG: 4648800 -11.6509 -49.0702 17.8232 -51.5434 21.2366 9.14446 15.9929 9.50904 9.78236 TIMING: 4648800 CPU: 13960.3, 0.00296822/step Wall: 13960.3, 0.00296821/step, 0.289566 hours remaining, 209.031250 MB of memory in use. ENERGY: 4648800 741.2733 2118.4315 1918.1491 96.1950 -206267.0850 18015.5589 0.0000 0.0000 34346.8904 -149030.5869 299.9599 -183377.4774 -148938.5242 299.3317 32.6838 67.7733 558261.2428 6.6135 6.4560 PRESSURE: 4649000 66.3263 -159.253 178.329 -159.252 -138.874 79.398 178.329 79.3975 15.8902 GPRESSURE: 4649000 108.47 -56.1121 197.461 -225.962 -125.984 132.728 132.44 79.2955 62.0454 PRESSAVG: 4649000 -48.3662 -46.3513 38.9556 -46.3512 13.109 -21.5632 38.9556 -21.5632 12.4587 GPRESSAVG: 4649000 -49.1672 -45.2916 39.1935 -46.4713 13.2907 -20.7322 39.801 -21.1522 13.2829 TIMING: 4649000 CPU: 13960.9, 0.00296873/step Wall: 13960.9, 0.00296873/step, 0.289451 hours remaining, 209.031250 MB of memory in use. ENERGY: 4649000 729.2655 2105.3951 1952.9660 122.4011 -205780.0321 17653.5252 0.0000 0.0000 34235.9914 -148980.4876 298.9914 -183216.4790 -148885.5064 300.0449 -18.8859 14.8439 558825.3385 -7.5995 -7.5312 PRESSURE: 4649200 -175.317 -154.679 40.4006 -154.681 -17.3654 -72.7275 40.4011 -72.7267 -140.375 GPRESSURE: 4649200 -139.813 -148.998 30.6745 -195.268 16.5386 -40.8146 -5.26745 -119.681 -115.841 PRESSAVG: 4649200 28.7519 -37.5419 -3.67999 -37.542 14.3612 14.6015 -3.67999 14.6016 -14.6777 GPRESSAVG: 4649200 29.6631 -38.7822 -2.96029 -36.5145 14.1785 15.7752 -3.99824 11.1063 -15.5307 TIMING: 4649200 CPU: 13961.5, 0.00298831/step Wall: 13961.5, 0.00298831/step, 0.291194 hours remaining, 209.031250 MB of memory in use. ENERGY: 4649200 796.6480 2025.5686 1954.7463 109.3397 -205778.4010 17550.3603 0.0000 0.0000 34390.6085 -148951.1297 300.3417 -183341.7382 -148859.2636 300.4995 -111.0189 -79.7050 558520.7990 9.4785 9.4370 PRESSURE: 4649400 55.7508 -98.5698 107.302 -98.57 -28.6717 95.4377 107.303 95.4368 33.2954 GPRESSURE: 4649400 128.153 -86.4118 100.883 61.5114 18.3202 46.1661 111.056 184.576 16.9093 PRESSAVG: 4649400 11.8439 -34.3279 -3.4895 -34.3279 24.8175 63.2 -3.48953 63.2001 -7.38964 GPRESSAVG: 4649400 11.2363 -35.1854 -3.35274 -32.868 24.9935 62.8219 -3.68085 65.5957 -6.67607 TIMING: 4649400 CPU: 13962.1, 0.00297438/step Wall: 13962.1, 0.00297438/step, 0.289671 hours remaining, 209.089844 MB of memory in use. ENERGY: 4649400 743.3941 2108.8600 1930.2311 111.3623 -206600.7733 17986.2297 0.0000 0.0000 34503.3174 -149217.3787 301.3261 -183720.6962 -149121.5123 299.6719 20.1248 54.4609 558772.2805 9.7572 9.8513 PRESSURE: 4649600 248.721 -153.441 50.2833 -153.442 15.7088 -158.095 50.2827 -158.098 -1.04994 GPRESSURE: 4649600 285.708 -123.583 -51.6933 -189.523 -1.5799 -96.9549 92.9901 -82.1789 89.0936 PRESSAVG: 4649600 16.4867 -6.36849 18.5284 -6.36845 18.2372 41.8031 18.5284 41.8031 -0.210061 GPRESSAVG: 4649600 17.9985 -6.19093 19.0399 -6.54106 18.0674 40.7789 17.8505 42.9118 -1.37412 TIMING: 4649600 CPU: 13962.7, 0.00296805/step Wall: 13962.7, 0.00296805/step, 0.28889 hours remaining, 209.089844 MB of memory in use. ENERGY: 4649600 742.1630 2001.4276 1945.1487 107.3511 -206249.5400 18001.4482 0.0000 0.0000 34253.1162 -149198.8851 299.1410 -183452.0013 -149106.0712 298.8736 87.7934 124.4074 558789.6784 11.5046 11.5639 PRESSURE: 4649800 32.9251 -48.4232 68.4724 -48.4237 -200.015 106.798 68.4721 106.799 145.576 GPRESSURE: 4649800 128.173 -76.7477 72.174 -56.7482 -219.854 71.2521 71.7257 132.661 165.367 PRESSAVG: 4649800 3.89902 7.48951 47.4903 7.48952 -80.0248 58.7717 47.4902 58.7716 55.3878 GPRESSAVG: 4649800 2.30422 7.57968 45.9642 6.90747 -79.0786 58.4134 48.7912 57.3924 55.6145 TIMING: 4649800 CPU: 13963.2, 0.00296309/step Wall: 13963.2, 0.00296309/step, 0.288243 hours remaining, 209.140625 MB of memory in use. ENERGY: 4649800 713.2700 2045.5882 1945.8764 109.9328 -206147.6171 17885.3093 0.0000 0.0000 34299.2724 -149148.3680 299.5441 -183447.6403 -149058.7306 299.2380 -7.1714 24.5620 559297.5915 -6.9126 -7.0533 PRESSURE: 4650000 125.864 198.792 54.3042 198.792 -122.887 -72.9811 54.3036 -72.9802 -45.9659 GPRESSURE: 4650000 119.147 246.252 89.2216 96.1229 -69.3771 -10.3123 81.6843 -160.406 -17.8163 PRESSAVG: 4650000 15.787 16.6479 -1.80455 16.648 -33.9783 8.4364 -1.80453 8.43636 29.8844 GPRESSAVG: 4650000 17.3374 16.9035 -0.577795 17.4611 -35.6785 10.3408 -1.80677 9.26591 30.0928 TIMING: 4650000 CPU: 13963.8, 0.0029873/step Wall: 13963.8, 0.0029873/step, 0.290432 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: 4650000 754.4489 2037.5826 1926.3490 113.1962 -206335.9355 17849.7102 0.0000 0.0000 34390.1033 -149264.5452 300.3373 -183654.6485 -149167.7423 299.5239 -14.3297 10.6513 558752.5928 3.8977 3.9172 PRESSURE: 4650200 88.7661 65.6743 -87.2133 65.6743 -457.997 -47.9637 -87.2122 -47.9645 -88.3319 GPRESSURE: 4650200 87.8556 -54.4317 -126.606 145.754 -338.36 -33.0887 -38.7605 -19.0108 -103.855 PRESSAVG: 4650200 77.3194 -19.2973 24.6854 -19.2974 -36.5047 13.0498 24.6854 13.0497 -30.8222 GPRESSAVG: 4650200 77.2825 -17.2769 24.0951 -21.1983 -35.7915 12.5447 25.2086 15.321 -31.4076 TIMING: 4650200 CPU: 13964.5, 0.00302639/step Wall: 13964.5, 0.00302639/step, 0.294064 hours remaining, 209.140625 MB of memory in use. ENERGY: 4650200 763.6566 2022.5938 1947.0560 115.3065 -206168.7309 17598.2783 0.0000 0.0000 34466.4059 -149255.4339 301.0037 -183721.8398 -149155.2990 299.1279 -152.5210 -118.1199 556601.2025 3.3308 3.3611 PRESSURE: 4650400 116.272 -184.295 -36.7711 -184.295 40.166 -154.397 -36.7713 -154.397 -147.199 GPRESSURE: 4650400 112.002 -224.603 -41.7165 -118.632 109.596 -208.765 -48.1833 -125.651 -121.817 PRESSAVG: 4650400 -21.3131 50.8725 -12.5522 50.8725 -13.4311 27.7337 -12.5522 27.7338 23.0963 GPRESSAVG: 4650400 -21.6219 48.7931 -12.7274 52.0537 -13.9328 26.8898 -12.061 25.2538 24.311 TIMING: 4650400 CPU: 13965.1, 0.00300344/step Wall: 13965.1, 0.00300344/step, 0.291668 hours remaining, 209.140625 MB of memory in use. ENERGY: 4650400 736.5666 2087.2201 1946.8340 114.0812 -206097.8453 17779.7399 0.0000 0.0000 34329.8457 -149103.5577 299.8111 -183433.4034 -149007.7656 299.2982 3.0798 33.2603 556585.0229 -3.8826 -3.7479 PRESSURE: 4650600 -222.051 -41.4428 -22.9507 -41.4425 -344.648 59.8182 -22.95 59.8191 102.538 GPRESSURE: 4650600 -162.828 -78.6414 -8.07159 59.5405 -311.112 79.1422 -116.983 125.838 99.1855 PRESSAVG: 4650600 -71.7444 -11.6056 42.2085 -11.6056 -2.55336 -28.4171 42.2086 -28.4172 21.6914 GPRESSAVG: 4650600 -71.2609 -10.4774 43.5808 -11.2498 -2.00347 -27.9483 38.8628 -27.9248 21.2046 TIMING: 4650600 CPU: 13965.6, 0.00296992/step Wall: 13965.6, 0.00296992/step, 0.288247 hours remaining, 209.140625 MB of memory in use. ENERGY: 4650600 741.4093 2068.5741 1931.6384 109.7128 -205711.3348 17526.1552 0.0000 0.0000 34240.9960 -149092.8490 299.0351 -183333.8451 -148997.0110 299.6794 -154.7202 -124.9184 558073.2910 -17.5355 -17.3532 PRESSURE: 4650800 224.223 115.738 140.87 115.737 7.43511 75.4269 140.87 75.4256 65.4175 GPRESSURE: 4650800 236.269 102.859 80.0213 151.003 21.7669 68.6049 208.085 40.8871 147.083 PRESSAVG: 4650800 9.7577 21.0011 37.0035 21.0011 -41.7899 -12.038 37.0035 -12.0378 38.0845 GPRESSAVG: 4650800 9.26972 20.7334 37.0923 19.6314 -42.0667 -12.4487 37.4604 -13.0713 39.3882 TIMING: 4650800 CPU: 13966.2, 0.00293455/step Wall: 13966.2, 0.00293455/step, 0.284651 hours remaining, 209.140625 MB of memory in use. ENERGY: 4650800 733.3436 2085.3316 1938.6920 108.4125 -205749.6813 17558.6021 0.0000 0.0000 34270.0891 -149055.2103 299.2892 -183325.2994 -148963.9598 300.2787 99.0252 135.0397 555487.5459 2.0175 2.1971 PRESSURE: 4651000 -236.052 31.9459 -63.0132 31.9442 -118.31 152.876 -63.0128 152.874 322.639 GPRESSURE: 4651000 -188.133 -23.8729 -90.3056 63.4669 -52.9059 165.629 -101.756 236.479 305.673 PRESSAVG: 4651000 -0.427813 7.28007 43.009 7.28013 37.6887 -13.4389 43.0091 -13.4389 22.8259 GPRESSAVG: 4651000 0.044228 6.72594 41.4112 7.63834 38.9807 -12.6266 43.9357 -13.6328 20.8494 TIMING: 4651000 CPU: 13966.8, 0.00299444/step Wall: 13966.8, 0.00299444/step, 0.290294 hours remaining, 209.140625 MB of memory in use. ENERGY: 4651000 748.5108 2128.2571 1926.4581 104.5771 -206107.0201 17633.8358 0.0000 0.0000 34437.1384 -149128.2427 300.7481 -183565.3811 -149026.8389 299.7753 -10.5741 21.5449 555080.0908 20.0289 19.9581 PRESSURE: 4651200 187.427 118.42 12.1344 118.42 -101.428 -41.6732 12.1345 -41.6733 117.742 GPRESSURE: 4651200 233.892 96.0378 -0.75965 90.1654 9.32081 8.56663 -92.8787 -6.44404 54.8669 PRESSAVG: 4651200 23.927 -84.8875 40.0897 -84.8876 -50.1486 -23.8535 40.0896 -23.8535 68.128 GPRESSAVG: 4651200 23.1932 -85.1374 41.7409 -83.6875 -51.0425 -24.7091 41.1029 -22.3166 69.3708 TIMING: 4651200 CPU: 13967.4, 0.00295444/step Wall: 13967.4, 0.00295444/step, 0.286252 hours remaining, 209.140625 MB of memory in use. ENERGY: 4651200 777.7978 2111.0002 1913.5085 103.0162 -206336.5707 17946.4493 0.0000 0.0000 34239.5394 -149245.2593 299.0224 -183484.7988 -149149.5943 298.9624 67.9134 99.3599 555349.4851 13.9688 13.8405 PRESSURE: 4651400 -66.0181 -110.548 -15.4678 -110.546 -279.366 -16.7519 -15.467 -16.7526 -165.219 GPRESSURE: 4651400 -54.4075 -38.9432 -16.4148 -150.808 -248.807 -95.6991 -56.7769 68.7403 -97.1261 PRESSAVG: 4651400 32.482 -57.1769 35.492 -57.1769 -66.5311 1.21492 35.492 1.21504 25.8872 GPRESSAVG: 4651400 32.8662 -55.0855 33.493 -59.4269 -65.1605 -1.28265 36.3928 -0.938015 24.3482 TIMING: 4651400 CPU: 13968, 0.00297776/step Wall: 13968, 0.00297776/step, 0.288347 hours remaining, 209.140625 MB of memory in use. ENERGY: 4651400 744.3315 2066.8251 1931.7435 106.0837 -206129.9542 17677.3549 0.0000 0.0000 34317.6257 -149285.9899 299.7044 -183603.6156 -149188.6889 299.0682 -170.2010 -133.4468 557695.6173 -2.7206 -2.6487 PRESSURE: 4651600 250.582 81.8756 204.002 81.8763 193.927 103.289 204.003 103.291 72.1463 GPRESSURE: 4651600 269.855 62.8824 300.406 61.1377 171.914 137.389 202.006 99.4046 171.612 PRESSAVG: 4651600 -15.5346 -38.4913 49.7447 -38.4912 -18.3299 38.9264 49.7447 38.9262 7.73187 GPRESSAVG: 4651600 -14.9971 -40.8195 53.0913 -36.9272 -19.5472 39.7895 47.2459 40.4449 8.26396 TIMING: 4651600 CPU: 13968.6, 0.00297146/step Wall: 13968.6, 0.00297146/step, 0.287571 hours remaining, 209.140625 MB of memory in use. ENERGY: 4651600 740.8673 2171.7577 1942.8727 116.4170 -206908.1311 18235.4094 0.0000 0.0000 34255.0991 -149445.7081 299.1583 -183700.8072 -149345.5992 299.1694 172.2185 204.4605 556182.0228 -8.7109 -8.7601 PRESSURE: 4651800 -166.746 -56.46 57.7169 -56.4598 -212.644 -80.9643 57.7165 -80.9647 -36.6172 GPRESSURE: 4651800 -106.135 -87.0588 25.2711 -33.9979 -187.497 -120.954 98.5741 -141.217 -29.1747 PRESSAVG: 4651800 39.2628 2.29242 -49.2177 2.29237 -70.1206 25.4069 -49.2177 25.4069 53.3543 GPRESSAVG: 4651800 40.2307 4.31102 -51.3965 0.702257 -70.1341 25.0027 -48.914 27.1236 53.0312 TIMING: 4651800 CPU: 13969.2, 0.00297581/step Wall: 13969.2, 0.00297581/step, 0.287827 hours remaining, 209.140625 MB of memory in use. ENERGY: 4651800 787.3917 2087.6375 1960.6257 126.3247 -206477.0109 17849.5827 0.0000 0.0000 34414.9939 -149250.4548 300.5547 -183665.4486 -149151.2053 299.3507 -138.6691 -107.6020 556847.5703 7.4988 7.7093 PRESSURE: 4652000 46.7414 -42.2466 -118.294 -42.2465 -221.789 70.9553 -118.295 70.9549 -232.926 GPRESSURE: 4652000 104.758 -51.9672 -196.157 -12.4984 -179.053 64.7923 -82.2316 170.892 -223.346 PRESSAVG: 4652000 7.93369 -15.9113 -18.7862 -15.9113 -20.7946 -20.7618 -18.7862 -20.7618 38.4595 GPRESSAVG: 4652000 7.031 -15.0606 -18.599 -14.7779 -18.8913 -19.3642 -18.3617 -22.822 37.559 TIMING: 4652000 CPU: 13969.8, 0.00297999/step Wall: 13969.8, 0.00297999/step, 0.288066 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: 4652000 710.1395 2084.8558 1959.6718 106.1666 -206134.3822 17663.0785 0.0000 0.0000 34191.3875 -149419.0826 298.6019 -183610.4701 -149326.9405 298.8709 -135.9912 -99.2136 558734.4460 8.5328 8.5662 PRESSURE: 4652200 -163.835 65.7915 -50.2893 65.7894 284.765 139.746 -50.289 139.745 -185.396 GPRESSURE: 4652200 -64.6459 -10.4978 -95.3435 94.2786 220.355 24.56 -56.4196 246.104 -123.864 PRESSAVG: 4652200 21.6838 -52.5034 -15.6144 -52.5033 26.5492 13.2007 -15.6145 13.2008 -4.47002 GPRESSAVG: 4652200 21.0648 -55.1254 -16.9031 -52.0919 25.3007 13.3727 -15.2847 12.4237 -2.46002 TIMING: 4652200 CPU: 13970.4, 0.00300408/step Wall: 13970.4, 0.00300408/step, 0.290227 hours remaining, 209.140625 MB of memory in use. ENERGY: 4652200 738.3877 2124.1138 1961.1711 112.2806 -206288.2368 17895.8445 0.0000 0.0000 34136.4380 -149320.0012 298.1220 -183456.4392 -149231.3739 298.9714 -21.4885 10.6151 558265.9964 14.5877 14.6351 LDB: ============= START OF LOAD BALANCING ============== 13973.9 LDB: ============== END OF LOAD BALANCING =============== 13973.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13973.9 LDB: ============= START OF LOAD BALANCING ============== 13974.2 LDB: Largest compute 4796 load 0.025818 is 21.8% of average load 0.118218 LDB: Average compute 0.001733 is 1.5% of average load 0.118218 LDB: TIME 13974.2 LOAD: AVG 0.118218 MAX 0.207281 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.289 MB LDB: TIME 13974.2 LOAD: AVG 0.118218 MAX 0.207281 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.293 MB LDB: TIME 13974.2 LOAD: AVG 0.118218 MAX 0.207281 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.293 MB LDB: ============== END OF LOAD BALANCING =============== 13974.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13974.2 PRESSURE: 4652400 168.774 34.7848 -31.175 34.7864 73.5929 32.7401 -31.1738 32.7401 -19.3218 GPRESSURE: 4652400 202.211 9.82247 -9.16287 74.3184 100.97 -6.86156 -85.0959 21.6924 23.4061 PRESSAVG: 4652400 75.4529 -0.663072 33.2674 -0.663137 -24.0961 -19.3193 33.2673 -19.3193 -52.4376 GPRESSAVG: 4652400 75.9265 -1.28625 34.6337 1.75542 -23.8247 -19.2065 31.9591 -18.952 -53.3626 TIMING: 4652400 CPU: 13971, 0.0030494/step Wall: 13971, 0.0030494/step, 0.294436 hours remaining, 210.312500 MB of memory in use. ENERGY: 4652400 725.8767 2129.4082 1930.3805 123.1978 -206489.8911 17989.5408 0.0000 0.0000 34290.6400 -149300.8472 299.4687 -183591.4872 -149203.7090 299.0253 74.3484 108.8625 557593.2126 -0.3603 -0.4203 PRESSURE: 4652600 218.521 68.8761 35.2757 68.8756 -15.967 -47.459 35.2754 -47.4582 -164.776 GPRESSURE: 4652600 217.194 98.7426 3.93948 47.3554 42.3858 -18.5935 -12.6282 -0.495356 -128.704 PRESSAVG: 4652600 41.6049 24.2467 7.85797 24.2467 7.12559 16.7174 7.85802 16.7174 -64.7069 GPRESSAVG: 4652600 42.7572 24.5368 9.21612 23.57 6.13721 17.1064 10.4635 17.6137 -64.9042 TIMING: 4652600 CPU: 13971.6, 0.00300714/step Wall: 13971.6, 0.00300714/step, 0.290189 hours remaining, 210.515625 MB of memory in use. ENERGY: 4652600 748.6669 2057.9948 1957.1618 119.5622 -206193.9932 17797.9575 0.0000 0.0000 34147.9385 -149364.7115 298.2224 -183512.6500 -149266.1938 298.6101 12.5926 43.6253 557233.7318 -5.3255 -5.3366 PRESSURE: 4652800 348.855 20.3664 15.8421 20.3662 191.409 73.4728 15.8429 73.4712 233.651 GPRESSURE: 4652800 355.28 -12.5666 -22.1299 33.6289 265.413 85.5801 21.6156 156.562 264.375 PRESSAVG: 4652800 71.1425 -7.80082 -38.1356 -7.8008 33.6014 7.90945 -38.1355 7.90943 -26.2795 GPRESSAVG: 4652800 70.3978 -6.90738 -39.4177 -9.67003 34.5126 7.27776 -40.2691 6.36438 -26.0068 TIMING: 4652800 CPU: 13972.2, 0.00295063/step Wall: 13972.2, 0.00295063/step, 0.284572 hours remaining, 210.515625 MB of memory in use. ENERGY: 4652800 745.6328 2138.4580 1916.4689 105.0107 -206876.4104 18408.8536 0.0000 0.0000 34255.3081 -149306.6783 299.1601 -183561.9864 -149214.1778 298.4833 257.9715 295.0225 557457.9223 26.1548 26.3012 PRESSURE: 4653000 -237.469 4.80317 147.533 4.8041 -152.089 -50.151 147.534 -50.1498 -110.468 GPRESSURE: 4653000 -165.594 43.556 159.518 5.02774 -165.795 -53.4321 111.884 -110.865 -75.526 PRESSAVG: 4653000 26.517 20.7815 23.491 20.7816 1.05914 -34.7431 23.491 -34.7431 13.6764 GPRESSAVG: 4653000 27.4744 21.598 24.018 20.5162 0.612862 -34.4057 23.5873 -32.8363 13.2275 TIMING: 4653000 CPU: 13972.8, 0.00294701/step Wall: 13972.8, 0.00294701/step, 0.284059 hours remaining, 210.515625 MB of memory in use. ENERGY: 4653000 760.6818 2060.7517 1933.2362 121.1392 -206003.6688 17510.2268 0.0000 0.0000 34246.9904 -149370.6428 299.0875 -183617.6332 -149268.4474 298.7054 -166.6755 -135.6382 558693.6360 13.7509 13.7716 PRESSURE: 4653200 -191.646 34.1655 50.9011 34.1661 22.9272 127.072 50.9019 127.071 19.2377 GPRESSURE: 4653200 -48.5569 -38.2082 83.5284 98.9928 27.9489 85.1309 40.488 61.0646 -31.8115 PRESSAVG: 4653200 -24.235 32.6546 37.0766 32.6547 13.2323 11.2683 37.0766 11.2681 18.9926 GPRESSAVG: 4653200 -24.7111 31.6285 35.2749 31.0755 13.1768 11.5001 40.0239 10.6166 18.9322 TIMING: 4653200 CPU: 13973.4, 0.00296736/step Wall: 13973.4, 0.00296736/step, 0.285855 hours remaining, 210.515625 MB of memory in use. ENERGY: 4653200 769.6662 2085.8482 1932.1778 120.8463 -206691.7533 17925.9737 0.0000 0.0000 34411.9379 -149445.3032 300.5280 -183857.2411 -149350.6559 299.1443 -49.8270 -17.4732 557328.4313 2.6633 2.4659 PRESSURE: 4653400 -57.7238 72.5481 -5.28198 72.5488 -101.641 -164.045 -5.28107 -164.046 -93.7634 GPRESSURE: 4653400 -36.1298 140.625 -2.48066 15.8347 -91.7249 -202.61 18.4758 -179.102 -24.2204 PRESSAVG: 4653400 8.00037 6.79634 -6.99945 6.79624 10.7972 -7.02307 -6.99939 -7.02297 5.91805 GPRESSAVG: 4653400 7.0703 6.26562 -4.99039 8.32952 11.0025 -10.6073 -8.42293 -4.60563 6.51606 TIMING: 4653400 CPU: 13974, 0.0029516/step Wall: 13974, 0.0029516/step, 0.284174 hours remaining, 210.675781 MB of memory in use. ENERGY: 4653400 782.3547 2086.8365 1935.2314 113.5308 -206584.8187 17843.7967 0.0000 0.0000 34310.4956 -149512.5730 299.6421 -183823.0686 -149414.7556 299.2274 -84.3762 -50.6917 556519.1746 8.2385 8.1963 PRESSURE: 4653600 -91.6533 64.6486 -213.954 64.6486 -70.5799 -92.1489 -213.954 -92.1495 -102.989 GPRESSURE: 4653600 -96.1866 46.7561 -222.384 19.1723 -10.9134 -175.228 -201.299 -42.1216 -58.3643 PRESSAVG: 4653600 -7.3174 -1.61882 -27.0209 -1.61881 -18.4612 11.2106 -27.021 11.2107 38.9983 GPRESSAVG: 4653600 -7.89122 -2.11064 -27.5515 -1.81891 -17.1403 13.2983 -26.9782 9.53418 38.0129 TIMING: 4653600 CPU: 13974.6, 0.0029659/step Wall: 13974.6, 0.0029659/step, 0.285386 hours remaining, 210.675781 MB of memory in use. ENERGY: 4653600 741.6096 2135.4095 1935.1592 123.1785 -206222.5751 17635.2750 0.0000 0.0000 34261.8503 -149390.0930 299.2173 -183651.9433 -149292.5663 298.1063 -88.4073 -55.1548 557039.8686 4.4066 4.3271 PRESSURE: 4653800 -125.554 -3.95918 -38.061 -3.95974 161.64 11.492 -38.062 11.4917 -101.177 GPRESSURE: 4653800 -50.603 3.78489 -61.264 -20.5345 201.806 28.374 -96.4446 10.1239 -123.542 PRESSAVG: 4653800 -7.0224 18.895 20.9218 18.895 7.08541 -28.5597 20.9218 -28.5598 -67.2488 GPRESSAVG: 4653800 -5.65029 19.932 20.197 19.5483 6.30505 -30.4959 20.2798 -30.2781 -68.2595 TIMING: 4653800 CPU: 13975.2, 0.00299126/step Wall: 13975.2, 0.00299126/step, 0.287659 hours remaining, 210.675781 MB of memory in use. ENERGY: 4653800 768.0190 2114.6495 1940.4745 114.2111 -206514.0927 17892.8555 0.0000 0.0000 34111.3194 -149572.5638 297.9026 -183683.8832 -149469.5795 298.6443 -21.6968 9.2202 556758.4033 -22.3953 -22.5349 PRESSURE: 4654000 124.104 133.174 16.0049 133.174 -40.5597 -98.3885 16.0035 -98.39 -280.078 GPRESSURE: 4654000 158.157 146.486 72.9954 159.6 36.6763 -95.7225 -40.617 -137.988 -284.531 PRESSAVG: 4654000 15.5671 -1.63265 -7.30888 -1.6326 23.1339 -27.8869 -7.30878 -27.887 -21.2792 GPRESSAVG: 4654000 14.2769 -1.34673 -6.7368 -1.82079 22.7893 -27.8441 -7.16861 -26.9425 -19.7229 TIMING: 4654000 CPU: 13975.8, 0.0029578/step Wall: 13975.8, 0.0029578/step, 0.284277 hours remaining, 210.675781 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: 4654000 774.2895 2122.3443 1927.5945 119.9216 -206356.2332 17843.7939 0.0000 0.0000 34151.5712 -149416.7182 298.2542 -183568.2894 -149319.0223 298.9388 -65.5113 -29.8992 558376.0985 5.8073 5.7811 PRESSURE: 4654200 -76.7553 94.0649 -32.2377 94.0652 156.306 -86.4591 -32.2378 -86.4606 -50.7339 GPRESSURE: 4654200 -49.7863 72.3852 -13.9558 42.9583 193.258 -132.862 -57.2093 -1.23232 -15.008 PRESSAVG: 4654200 20.1443 8.05254 -47.7028 8.05254 -28.9654 12.7995 -47.7027 12.7994 -9.29926 GPRESSAVG: 4654200 20.3204 6.97372 -47.0187 8.10705 -28.9885 14.6906 -48.5636 12.9324 -9.43204 TIMING: 4654200 CPU: 13976.4, 0.00295137/step Wall: 13976.4, 0.00295137/step, 0.283495 hours remaining, 210.675781 MB of memory in use. ENERGY: 4654200 717.7574 2074.8096 1959.1840 113.1824 -206732.1344 18124.4786 0.0000 0.0000 34366.1622 -149376.5601 300.1282 -183742.7223 -149287.3265 298.4428 9.6055 42.8214 557490.4092 -6.0401 -6.0334 PRESSURE: 4654400 359.02 142.919 -83.5519 142.919 151.915 8.74501 -83.5515 8.74567 -28.7522 GPRESSURE: 4654400 398.322 127.016 -118.293 127.153 90.3039 68.8016 -34.7346 -112.673 76.4651 PRESSAVG: 4654400 41.8156 28.982 27.1683 28.982 -1.34963 -34.11 27.1683 -34.1099 10.5517 GPRESSAVG: 4654400 41.8253 28.994 25.8345 28.828 -0.816932 -34.2695 27.9974 -33.8391 10.0668 TIMING: 4654400 CPU: 13976.9, 0.0029482/step Wall: 13976.9, 0.0029482/step, 0.283027 hours remaining, 210.675781 MB of memory in use. ENERGY: 4654400 713.8649 2096.9550 1957.9984 111.7001 -206237.1396 17995.4113 0.0000 0.0000 34153.7561 -149207.4538 298.2732 -183361.2099 -149105.8497 299.4067 160.7277 188.3638 557853.5937 17.0059 17.0251 PRESSURE: 4654600 -143.008 0.577651 114.22 0.577541 -85.488 31.4361 114.22 31.4375 56.7952 GPRESSURE: 4654600 -81.2173 27.21 65.5947 -25.3173 -95.3605 60.5767 140.193 -1.33472 100.049 PRESSAVG: 4654600 -42.4586 -37.7221 -74.0805 -37.7221 1.77663 10.9174 -74.0805 10.9174 30.5324 GPRESSAVG: 4654600 -42.9835 -37.9935 -75.6077 -37.6305 1.54949 12.248 -74.9263 8.97141 30.9032 TIMING: 4654600 CPU: 13977.5, 0.00295348/step Wall: 13977.5, 0.00295348/step, 0.28337 hours remaining, 210.675781 MB of memory in use. ENERGY: 4654600 777.0762 2125.7153 1949.2565 99.7178 -205931.6238 17634.9079 0.0000 0.0000 34204.5717 -149140.3784 298.7170 -183344.9501 -149050.6767 299.8755 -57.2336 -25.5098 557968.6750 -3.3832 -3.5103 PRESSURE: 4654800 -159.159 -184.813 165.552 -184.812 -226.586 -58.677 165.551 -58.6771 23.1671 GPRESSURE: 4654800 -93.3862 -251.517 122.499 -164.796 -197.561 -52.7028 153.096 -33.5171 22.9582 PRESSAVG: 4654800 -72.5919 4.90133 -27.7882 4.90147 39.1159 5.88903 -27.7883 5.88905 70.7712 GPRESSAVG: 4654800 -72.7964 4.294 -25.0931 5.53973 40.3397 4.28584 -29.9298 7.02888 70.0883 TIMING: 4654800 CPU: 13978.1, 0.00297324/step Wall: 13978.1, 0.00297324/step, 0.2851 hours remaining, 210.675781 MB of memory in use. ENERGY: 4654800 781.2373 2117.2184 1941.3098 121.9613 -205832.4560 17744.0200 0.0000 0.0000 34021.1715 -149105.5378 297.1154 -183126.7093 -149008.0566 299.1819 -120.8592 -89.3296 560687.0061 12.4318 12.5439 PRESSURE: 4655000 86.9197 59.1083 -8.48639 59.1088 157.618 13.7745 -8.48698 13.774 -124.469 GPRESSURE: 4655000 89.6459 44.5814 80.9807 149.281 173.239 81.922 22.8197 25.8321 -42.9923 PRESSAVG: 4655000 16.0755 19.1183 -5.66848 19.1185 7.10194 -16.7095 -5.66853 -16.7095 2.24761 GPRESSAVG: 4655000 17.5532 18.1959 -7.35293 18.4961 6.00509 -16.0586 -0.836582 -14.6387 1.5287 TIMING: 4655000 CPU: 13978.7, 0.00294482/step Wall: 13978.7, 0.00294482/step, 0.282212 hours remaining, 210.746094 MB of memory in use. ENERGY: 4655000 709.9186 2029.5532 1948.9670 102.5841 -206321.8805 17955.9010 0.0000 0.0000 34326.9428 -149248.0138 299.7857 -183574.9566 -149150.8499 298.9883 40.0229 73.2976 558395.0404 8.4750 8.3623 PRESSURE: 4655200 180.456 -171.129 -2.0688 -171.13 -211.908 -243.306 -2.06823 -243.304 -29.8176 GPRESSURE: 4655200 165.52 -160.825 -8.92946 -233.932 -144.333 -322.16 -12.5239 -242.435 16.6253 PRESSAVG: 4655200 140.446 -35.9936 37.4945 -35.9935 -62.8081 -19.8166 37.4946 -19.8165 -28.8306 GPRESSAVG: 4655200 139.928 -34.4057 38.7559 -36.988 -63.0216 -20.3312 35.8847 -22.0425 -27.8456 TIMING: 4655200 CPU: 13979.3, 0.00294605/step Wall: 13979.3, 0.00294605/step, 0.282166 hours remaining, 210.746094 MB of memory in use. ENERGY: 4655200 731.5485 2108.5373 1939.2610 113.7842 -206008.6393 17747.3062 0.0000 0.0000 34141.3515 -149226.8505 298.1649 -183368.2021 -149131.3938 299.6990 -20.4231 12.6043 557413.6896 16.2692 16.3535 PRESSURE: 4655400 -150.299 28.3166 -91.4307 28.3171 -251.502 46.1864 -91.4306 46.1877 73.7417 GPRESSURE: 4655400 -103.621 -3.66644 -24.1342 66.838 -191.328 40.7468 -145.03 -43.554 71.2865 PRESSAVG: 4655400 40.7237 17.0313 -27.9536 17.0313 -91.1576 3.76959 -27.9536 3.76951 29.5876 GPRESSAVG: 4655400 40.0996 18.2911 -28.3661 16.6762 -89.3665 4.54328 -27.3176 5.41072 28.1188 TIMING: 4655400 CPU: 13979.9, 0.00294586/step Wall: 13979.9, 0.00294586/step, 0.281985 hours remaining, 210.746094 MB of memory in use. ENERGY: 4655400 785.0747 2089.2950 1940.1363 120.3143 -205957.3603 17756.7076 0.0000 0.0000 34357.3892 -148908.4432 300.0516 -183265.8324 -148806.9715 299.7553 -109.3531 -74.5541 558789.2242 -6.9488 -7.0494 PRESSURE: 4655600 150.592 -56.6687 -16.735 -56.6686 -141.788 21.9676 -16.7358 21.9668 -51.2651 GPRESSURE: 4655600 136.823 20.9709 -39.5263 -76.0514 -29.6841 -14.3665 11.3271 -10.3691 -61.5717 PRESSAVG: 4655600 -45.1843 -9.10225 1.95741 -9.10224 9.93232 29.5462 1.95742 29.5462 13.6113 GPRESSAVG: 4655600 -44.7744 -9.56115 1.67425 -6.29164 8.86589 30.4635 1.90816 28.6928 14.408 TIMING: 4655600 CPU: 13980.5, 0.00293967/step Wall: 13980.5, 0.00293967/step, 0.281228 hours remaining, 210.746094 MB of memory in use. ENERGY: 4655600 762.9224 2092.5627 1967.9219 125.2699 -206460.9929 18071.7661 0.0000 0.0000 34392.6823 -149047.8677 300.3598 -183440.5500 -148950.5922 299.5804 -14.1539 15.1892 558092.2900 -7.2136 -7.1668 PRESSURE: 4655800 259.992 52.6384 -18.0864 52.6388 -98.8793 41.5668 -18.0859 41.5664 136.634 GPRESSURE: 4655800 328.869 -25.2988 -28.9472 176.052 -118.557 28.3988 -34.9655 87.5917 188.957 PRESSAVG: 4655800 14.856 -30.8095 8.56846 -30.8095 -19.5283 47.6043 8.56837 47.6043 -11.9894 GPRESSAVG: 4655800 14.5198 -31.422 7.38959 -33.6803 -19.0544 45.4309 7.99721 49.6186 -12.1023 TIMING: 4655800 CPU: 13981.1, 0.00293457/step Wall: 13981.1, 0.00293457/step, 0.280578 hours remaining, 210.746094 MB of memory in use. ENERGY: 4655800 749.9240 2061.5986 1931.4855 117.5225 -205979.4842 17863.6278 0.0000 0.0000 34267.5627 -148987.7632 299.2671 -183255.3259 -148896.0959 298.9739 99.2490 133.0899 557244.7031 -5.5539 -5.5456 PRESSURE: 4656000 143.586 84.735 20.2174 84.7349 170.006 36.2953 20.2183 36.295 77.9508 GPRESSURE: 4656000 161.108 77.5658 59.9365 174.026 184.037 -84.3112 -9.93681 72.9749 155.822 PRESSAVG: 4656000 25.4643 -27.8708 -26.5265 -27.8708 -50.908 -11.1336 -26.5265 -11.1335 16.5742 GPRESSAVG: 4656000 24.9675 -29.8344 -28.249 -25.7619 -51.1668 -11.1495 -25.6287 -12.2131 17.6172 TIMING: 4656000 CPU: 13981.7, 0.00294642/step Wall: 13981.7, 0.00294642/step, 0.281547 hours remaining, 210.746094 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: 4656000 724.1906 2089.6611 1939.8862 113.2013 -206386.6906 18013.5879 0.0000 0.0000 34459.6442 -149046.5193 300.9446 -183506.1634 -148950.2811 300.2494 130.5143 166.9890 556219.7323 -2.9565 -2.8607 PRESSURE: 4656200 -56.0046 53.1222 -94.3065 53.1226 -260.457 258.147 -94.3061 258.148 -122.109 GPRESSURE: 4656200 -110.921 25.6485 -129.911 153.978 -182.168 276.018 -171.979 197.1 -47.8155 PRESSAVG: 4656200 5.13711 26.3226 -44.3479 26.3225 -34.3642 48.5655 -44.3479 48.5655 57.707 GPRESSAVG: 4656200 5.18089 27.6259 -41.3244 26.0728 -34.0013 49.4008 -47.5249 48.7208 57.2045 TIMING: 4656200 CPU: 13982.2, 0.00294627/step Wall: 13982.2, 0.00294627/step, 0.281369 hours remaining, 210.746094 MB of memory in use. ENERGY: 4656200 729.2646 2120.3566 1952.0102 109.7108 -206014.9922 17592.0044 0.0000 0.0000 34558.1495 -148953.4961 301.8049 -183511.6455 -148866.4282 300.5598 -146.1901 -113.6347 557471.8893 9.4933 9.4614 LDB: ============= START OF LOAD BALANCING ============== 13985.8 LDB: ============== END OF LOAD BALANCING =============== 13985.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13985.8 LDB: ============= START OF LOAD BALANCING ============== 13986.1 LDB: Largest compute 4773 load 0.026900 is 22.8% of average load 0.118232 LDB: Average compute 0.001730 is 1.5% of average load 0.118232 LDB: TIME 13986.1 LOAD: AVG 0.118232 MAX 0.206782 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.75 MB LDB: TIME 13986.1 LOAD: AVG 0.118232 MAX 0.206782 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.953 MB LDB: TIME 13986.1 LOAD: AVG 0.118232 MAX 0.206782 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.953 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13986.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13986.1 PRESSURE: 4656400 -171.997 15.3463 71.0932 15.3463 -159.794 32.814 71.0916 32.8144 -174.898 GPRESSURE: 4656400 -112.507 -32.1416 15.3198 114.028 -171.547 -40.7949 95.0364 139.471 -135.087 PRESSAVG: 4656400 55.0612 49.2683 15.8082 49.2684 -20.4763 34.0856 15.8082 34.0857 -18.2948 GPRESSAVG: 4656400 56.5651 50.4791 14.875 48.5183 -21.812 35.0731 18.3654 32.5584 -19.2104 TIMING: 4656400 CPU: 13982.8, 0.0030028/step Wall: 13982.8, 0.0030028/step, 0.286601 hours remaining, 208.484375 MB of memory in use. ENERGY: 4656400 727.7984 2094.3332 1965.2700 94.8265 -205973.3298 17680.3117 0.0000 0.0000 34576.0394 -148834.7506 301.9612 -183410.7900 -148725.7607 300.3805 -168.8965 -139.7140 558419.8956 5.4300 5.1809 PRESSURE: 4656600 -185.245 27.1703 -56.0853 27.1701 -199.537 -8.00389 -56.0859 -8.00281 92.7978 GPRESSURE: 4656600 -209.341 -51.9997 -46.6336 88.6589 -89.4732 19.368 -58.1954 22.7977 107.228 PRESSAVG: 4656600 -24.0839 10.618 17.6408 10.618 10.1743 -25.3138 17.6407 -25.3137 23.3792 GPRESSAVG: 4656600 -24.2556 10.3978 18.0237 11.7881 10.3604 -28.545 17.0865 -23.8881 22.8714 TIMING: 4656600 CPU: 13983.4, 0.00297523/step Wall: 13983.4, 0.00297523/step, 0.283804 hours remaining, 208.687500 MB of memory in use. ENERGY: 4656600 733.6857 2141.2505 1934.5570 109.3067 -205522.3893 17442.9130 0.0000 0.0000 34269.0216 -148891.6548 299.2799 -183160.6764 -148799.6895 300.9244 -97.3281 -63.8622 556760.4948 3.1565 2.9921 PRESSURE: 4656800 -161.65 -78.3139 61.78 -78.3139 -26.1857 -77.6523 61.7784 -77.6511 -102.785 GPRESSURE: 4656800 -132.839 -77.423 54.6577 -25.8217 14.2419 -76.9639 54.6918 -31.0028 -74.1254 PRESSAVG: 4656800 -34.7535 -2.02991 -21.3776 -2.02994 -6.38902 -36.2921 -21.3775 -36.2922 19.641 GPRESSAVG: 4656800 -34.3829 -4.2473 -22.6505 -2.00835 -6.59192 -32.4294 -20.7747 -38.3065 18.7019 TIMING: 4656800 CPU: 13984, 0.00297296/step Wall: 13984, 0.00297296/step, 0.283422 hours remaining, 208.687500 MB of memory in use. ENERGY: 4656800 758.7436 2137.1246 1948.3153 114.5174 -206009.4600 17644.2970 0.0000 0.0000 34400.8685 -149005.5936 300.4313 -183406.4622 -148907.4663 299.8737 -96.8737 -64.2410 556263.1330 -7.1672 -7.4243 PRESSURE: 4657000 -37.1212 251.744 7.33316 251.744 -173.699 61.3107 7.33354 61.311 32.5215 GPRESSURE: 4657000 -20.7253 259.744 -14.2656 246.593 -95.9559 132.496 28.5655 72.8614 35.199 PRESSAVG: 4657000 -19.3723 55.769 13.4896 55.7688 -26.3803 20.9473 13.4897 20.9474 6.15463 GPRESSAVG: 4657000 -20.97 54.1243 13.468 56.4915 -26.2404 20.26 13.7321 21.8669 7.08289 TIMING: 4657000 CPU: 13984.6, 0.00296587/step Wall: 13984.6, 0.00296587/step, 0.282582 hours remaining, 208.687500 MB of memory in use. ENERGY: 4657000 767.8255 2157.0340 1962.4218 116.0598 -206005.5405 17657.5114 0.0000 0.0000 34502.1340 -148842.5540 301.3157 -183344.6880 -148747.8342 300.2523 -59.4330 -27.1608 557288.2683 -13.1993 -13.3758 PRESSURE: 4657200 12.4095 10.5084 135.369 10.5092 -26.7212 -45.1253 135.368 -45.1263 15.6323 GPRESSURE: 4657200 31.3463 37.8756 89.6842 -36.3705 -16.7805 -119.408 183.94 -26.9144 75.2636 PRESSAVG: 4657200 12.5009 48.2632 45.6404 48.2632 -4.36865 -13.1377 45.6405 -13.1377 28.2817 GPRESSAVG: 4657200 11.6318 51.1397 45.5142 45.6812 -5.2508 -14.0232 46.0081 -12.0924 29.3791 TIMING: 4657200 CPU: 13985.2, 0.00296621/step Wall: 13985.2, 0.00296621/step, 0.282449 hours remaining, 208.687500 MB of memory in use. ENERGY: 4657200 759.3490 2117.4720 1956.3790 115.2317 -205768.9300 17599.8568 0.0000 0.0000 34295.2317 -148925.4099 299.5088 -183220.6416 -148825.7294 300.2177 0.4402 29.9431 556370.6336 12.1380 11.9200 PRESSURE: 4657400 -124.632 -98.9661 -48.7723 -98.9659 -182.217 -8.68182 -48.773 -8.68067 -121.02 GPRESSURE: 4657400 -98.8232 -38.1 -19.6588 -81.7108 -162.79 -29.1303 -59.3182 7.96913 -58.411 PRESSAVG: 4657400 -8.65998 8.08404 21.3727 8.08416 -6.38501 -54.4047 21.3727 -54.4047 40.7891 GPRESSAVG: 4657400 -6.15832 7.77269 22.7625 6.98951 -6.33661 -53.3902 20.4374 -55.9812 38.1305 TIMING: 4657400 CPU: 13985.8, 0.00295521/step Wall: 13985.8, 0.00295521/step, 0.281237 hours remaining, 208.687500 MB of memory in use. ENERGY: 4657400 775.9991 2079.5817 1936.8227 120.7240 -205881.3154 17438.6875 0.0000 0.0000 34565.2641 -148964.2363 301.8670 -183529.5004 -148871.3677 300.1650 -142.6230 -106.6748 556827.5672 8.5814 8.5452 PRESSURE: 4657600 -142.801 -32.4356 -28.1714 -32.4363 81.9983 11.2315 -28.17 11.2315 -76.7582 GPRESSURE: 4657600 -135.83 -33.2842 -60.4771 -141.975 142.456 19.1972 -19.5125 2.5898 -62.3663 PRESSAVG: 4657600 -4.54705 8.78329 -41.8502 8.78331 24.8591 9.75288 -41.8501 9.753 -17.8996 GPRESSAVG: 4657600 -5.84629 10.0092 -44.2543 9.60243 25.0032 10.7985 -41.0733 10.4522 -16.9097 TIMING: 4657600 CPU: 13986.4, 0.00296571/step Wall: 13986.4, 0.00296571/step, 0.282072 hours remaining, 208.687500 MB of memory in use. ENERGY: 4657600 753.4034 2064.9067 1926.7294 116.1306 -205695.8385 17582.8772 0.0000 0.0000 34332.9185 -148918.8727 299.8379 -183251.7911 -148819.3495 300.0073 -45.8536 -18.5801 557059.5073 0.8042 0.7491 PRESSURE: 4657800 223.365 -20.9835 -8.7564 -20.9831 177.669 179.001 -8.75677 179.001 -156.522 GPRESSURE: 4657800 231.85 -75.121 -119.904 -1.95376 203.93 222.51 39.2851 168.671 -99.8978 PRESSAVG: 4657800 18.8439 23.2043 -35.3563 23.2043 -0.199479 46.3561 -35.3563 46.3561 -1.39809 GPRESSAVG: 4657800 19.5984 22.5092 -36.5679 24.6809 -0.51041 45.4463 -34.4107 45.6516 -2.03205 TIMING: 4657800 CPU: 13987, 0.0029762/step Wall: 13987, 0.0029762/step, 0.282905 hours remaining, 208.687500 MB of memory in use. ENERGY: 4657800 738.5111 2158.4379 1964.3592 126.7050 -206179.4371 17755.4331 0.0000 0.0000 34401.2517 -149034.7392 300.4347 -183435.9909 -148940.2925 299.7971 81.5040 111.9606 555329.5105 5.7488 5.6853 PRESSURE: 4658000 -14.872 -67.0271 49.2652 -67.0275 -81.6459 95.3977 49.2646 95.3974 -23.7689 GPRESSURE: 4658000 0.446433 -118.962 12.9518 -59.2315 13.5684 245.628 65.998 86.5207 -32.3853 PRESSAVG: 4658000 -4.84356 -17.5467 27.7079 -17.5467 52.7306 65.985 27.708 65.9851 -17.9321 GPRESSAVG: 4658000 -6.23531 -18.154 30.5266 -18.6804 54.387 66.5487 26.6296 67.6922 -17.0868 TIMING: 4658000 CPU: 13987.6, 0.00296667/step Wall: 13987.6, 0.00296667/step, 0.281834 hours remaining, 208.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4658000 785.6909 2092.1778 1945.6902 112.9529 -206078.7793 17752.6886 0.0000 0.0000 34234.7246 -149154.8543 298.9804 -183389.5789 -149061.0577 300.1207 -40.0956 -6.1235 556622.6082 9.9850 10.3550 PRESSURE: 4658200 41.4619 -120.524 237.338 -120.522 -21.2344 86.9757 237.339 86.9751 13.3796 GPRESSURE: 4658200 105.861 -97.1753 198.245 -101.947 -6.79056 103.108 191.337 69.6268 42.0823 PRESSAVG: 4658200 -43.4953 -14.0295 41.9747 -14.0295 5.47531 67.3048 41.9746 67.3048 35.7889 GPRESSAVG: 4658200 -43.7693 -15.0338 44.2362 -13.0612 5.28305 66.8347 40.5959 66.2348 36.5387 TIMING: 4658200 CPU: 13988.2, 0.00298312/step Wall: 13988.2, 0.00298312/step, 0.283231 hours remaining, 208.687500 MB of memory in use. ENERGY: 4658200 773.0126 2105.9574 1961.9753 106.9658 -206421.7279 18046.6798 0.0000 0.0000 34418.6321 -149008.5050 300.5865 -183427.1371 -148910.8601 300.0716 11.2023 47.0510 557254.3619 -0.7437 -0.6492 PRESSURE: 4658400 58.9884 -111.666 -66.5741 -111.665 -235.75 -60.5664 -66.5738 -60.5679 -103.677 GPRESSURE: 4658400 40.3876 -77.6165 67.8336 -89.5436 -145.274 15.0305 -100.131 -20.2329 -64.5574 PRESSAVG: 4658400 -50.6616 -1.05655 15.7647 -1.05659 60.5851 -6.08225 15.7647 -6.0824 0.0198145 GPRESSAVG: 4658400 -49.4819 -1.57653 13.9136 -2.27275 58.7663 -5.10015 17.3181 -5.56584 0.17343 TIMING: 4658400 CPU: 13988.8, 0.00297394/step Wall: 13988.8, 0.00297394/step, 0.282194 hours remaining, 208.687500 MB of memory in use. ENERGY: 4658400 752.1947 2133.8636 1931.5395 109.4568 -206130.5735 17696.1373 0.0000 0.0000 34377.9891 -149129.3924 300.2315 -183507.3816 -149027.1900 299.5321 -93.4796 -56.4814 557044.1359 3.3144 3.1526 PRESSURE: 4658600 -10.7028 114.427 3.94765 114.427 75.1573 -59.2475 3.94663 -59.2474 15.9896 GPRESSURE: 4658600 -25.0922 76.1407 -9.66337 138.232 144.873 16.6305 -58.2334 -31.3429 61.5325 PRESSAVG: 4658600 -73.1366 -48.4857 -10.8865 -48.4857 68.6446 1.45978 -10.8864 1.45977 69.9632 GPRESSAVG: 4658600 -73.588 -47.7665 -11.9557 -48.5663 70.2099 0.165186 -8.52897 1.88113 68.8707 TIMING: 4658600 CPU: 13989.4, 0.00298035/step Wall: 13989.4, 0.00298035/step, 0.282637 hours remaining, 208.687500 MB of memory in use. ENERGY: 4658600 792.0719 2082.2486 1928.3956 111.5819 -206387.0247 18056.2597 0.0000 0.0000 34132.2820 -149284.1849 298.0857 -183416.4669 -149187.7822 299.2389 26.8147 60.4377 556563.1101 21.8237 21.8309 PRESSURE: 4658800 -187.636 -11.6809 41.4551 -11.6815 -274.818 58.0734 41.4539 58.0722 -102.377 GPRESSURE: 4658800 -177.827 -51.4444 -55.2223 -73.7412 -242.388 142.936 163.351 70.3716 -39.3183 PRESSAVG: 4658800 -62.6634 53.076 4.91053 53.076 8.42614 -33.1458 4.91057 -33.1459 48.4044 GPRESSAVG: 4658800 -62.9586 52.8151 6.42921 53.5115 7.44598 -33.8596 2.29443 -30.172 50.5276 TIMING: 4658800 CPU: 13990, 0.00296472/step Wall: 13990, 0.00296472/step, 0.280989 hours remaining, 208.687500 MB of memory in use. ENERGY: 4658800 762.4685 2108.8450 1935.7876 107.3847 -206123.2287 17784.9230 0.0000 0.0000 34048.6893 -149375.1306 297.3557 -183423.8199 -149273.0989 298.2707 -188.2771 -153.1780 559068.8865 -1.9443 -1.6617 PRESSURE: 4659000 128.515 58.4288 -114.268 58.4281 -13.5511 230.676 -114.267 230.675 -257.491 GPRESSURE: 4659000 223.387 93.4591 -109.65 21.5202 -73.6177 200.507 -35.2704 256.342 -199.125 PRESSAVG: 4659000 -19.7703 -15.357 -6.89145 -15.357 -25.5401 31.3947 -6.89144 31.3948 -14.7048 GPRESSAVG: 4659000 -19.3468 -15.3549 -6.33946 -14.6943 -24.0093 30.003 -5.60056 29.6731 -16.4344 TIMING: 4659000 CPU: 13990.6, 0.00296126/step Wall: 13990.6, 0.00296126/step, 0.280497 hours remaining, 208.687500 MB of memory in use. ENERGY: 4659000 725.0905 2085.8489 1936.7062 122.3342 -206397.4356 17843.7948 0.0000 0.0000 34207.2114 -149476.4497 298.7401 -183683.6611 -149385.4788 298.7074 -47.5089 -16.4522 558408.8022 -20.0051 -19.9302 PRESSURE: 4659200 -64.1987 54.5099 52.9051 54.5106 -45.2342 -65.2891 52.9058 -65.2892 -83.5184 GPRESSURE: 4659200 -71.4996 27.9784 30.7401 -71.0966 30.5339 -75.7604 116.093 -64.3008 -54.1598 PRESSAVG: 4659200 -14.1726 20.3407 -8.55939 20.3408 9.64972 19.7357 -8.55945 19.7358 -21.7092 GPRESSAVG: 4659200 -13.024 19.5075 -10.7009 20.2456 8.58708 21.0992 -8.45219 18.5197 -21.6832 TIMING: 4659200 CPU: 13991.2, 0.00296603/step Wall: 13991.2, 0.00296603/step, 0.280785 hours remaining, 208.687500 MB of memory in use. ENERGY: 4659200 731.3324 2055.0791 1960.7975 126.8941 -206147.7260 17667.9828 0.0000 0.0000 34120.5119 -149485.1282 297.9829 -183605.6401 -149390.3289 297.7369 -64.3171 -31.7085 558202.9555 -8.7440 -8.7067 PRESSURE: 4659400 -463.138 15.2987 86.5394 15.2977 -62.2396 -118.38 86.5394 -118.38 -376.236 GPRESSURE: 4659400 -447.227 -6.71329 110.758 48.7981 -58.7613 -74.2025 93.9917 -140.909 -307.878 PRESSAVG: 4659400 -33.043 29.8424 30.8467 29.8423 35.15 -73.8745 30.8466 -73.8746 -18.2733 GPRESSAVG: 4659400 -34.4909 29.9553 31.6053 28.5878 36.1944 -75.4233 32.0829 -72.6093 -17.805 TIMING: 4659400 CPU: 13991.8, 0.0029688/step Wall: 13991.8, 0.0029688/step, 0.280882 hours remaining, 208.687500 MB of memory in use. ENERGY: 4659400 777.6950 2100.2132 1919.7305 115.9592 -205890.8871 17424.5619 0.0000 0.0000 34169.9748 -149382.7524 298.4149 -183552.7273 -149283.8240 298.5549 -300.5379 -271.2889 558010.8344 -5.3888 -5.3672 PRESSURE: 4659600 -313.979 231.996 -4.63276 231.995 69.0238 49.0772 -4.63103 49.0773 -122.863 GPRESSURE: 4659600 -280.879 232.531 -52.2772 191.331 79.391 -9.25853 4.3912 24.2777 -74.7444 PRESSAVG: 4659600 -42.2456 4.47092 9.17819 4.4708 32.9373 -23.4829 9.17815 -23.4829 8.16479 GPRESSAVG: 4659600 -41.3937 4.5689 7.50879 3.46663 31.6185 -23.4561 9.77486 -23.6619 8.2412 TIMING: 4659600 CPU: 13992.3, 0.00296627/step Wall: 13992.3, 0.00296627/step, 0.280477 hours remaining, 208.687500 MB of memory in use. ENERGY: 4659600 755.0240 2095.5525 1941.2917 109.8684 -205717.6647 17497.6597 0.0000 0.0000 34053.3517 -149264.9167 297.3964 -183318.2684 -149170.2183 298.5301 -122.6059 -92.0775 557015.2673 -0.3812 -0.5113 PRESSURE: 4659800 -129.756 45.6037 -94.0746 45.6043 28.2521 5.97314 -94.0749 5.97272 251.482 GPRESSURE: 4659800 -133.139 95.408 -2.07648 -9.05342 94.9266 37.5253 -127.554 -42.6971 295.267 PRESSAVG: 4659800 15.4234 58.8407 10.0582 58.8408 47.1705 9.72579 10.0582 9.72591 -27.3221 GPRESSAVG: 4659800 14.4614 57.9537 10.6405 61.442 48.3421 10.6782 7.89217 9.23705 -27.4115 TIMING: 4659800 CPU: 13992.9, 0.00298726/step Wall: 13992.9, 0.00298726/step, 0.282296 hours remaining, 208.687500 MB of memory in use. ENERGY: 4659800 770.2150 2072.7217 1948.3123 111.9178 -206259.8621 17847.2431 0.0000 0.0000 34151.5704 -149357.8818 298.2542 -183509.4522 -149262.4983 298.8540 49.9928 85.6849 556908.6834 11.7573 11.7973 PRESSURE: 4660000 159.608 25.3451 -150.798 25.344 49.0284 -7.66752 -150.798 -7.66699 -18.9602 GPRESSURE: 4660000 193.371 10.5439 -98.6736 86.1606 93.509 -17.9141 -166.165 6.09606 6.48989 PRESSAVG: 4660000 50.2926 46.7686 -34.3299 46.7685 -53.3057 79.0107 -34.3299 79.0107 -19.0447 GPRESSAVG: 4660000 50.6502 46.5902 -35.1316 47.0741 -53.9623 79.4512 -34.1889 77.388 -19.2038 TIMING: 4660000 CPU: 13993.5, 0.00298064/step Wall: 13993.5, 0.00298064/step, 0.281505 hours remaining, 208.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4660000 743.3103 2096.6649 1947.1087 110.0911 -206328.2136 17912.4068 0.0000 0.0000 34268.6461 -149249.9857 299.2766 -183518.6318 -149154.2209 298.7156 63.2253 97.7899 556939.4442 -7.3526 -7.5053 PRESSURE: 4660200 -260.792 64.4864 97.4285 64.4867 -171.462 -67.2905 97.4285 -67.2901 171.967 GPRESSURE: 4660200 -209.269 25.5539 156.269 107.122 -166.249 -87.0007 100.686 -94.1318 203.712 PRESSAVG: 4660200 3.53428 -16.1218 -7.72483 -16.1219 25.1697 14.0313 -7.72483 14.0311 -4.19902 GPRESSAVG: 4660200 3.91977 -13.7464 -5.29302 -19.3777 25.7008 14.3108 -8.71462 14.4275 -4.48536 TIMING: 4660200 CPU: 13994.1, 0.00300899/step Wall: 13994.1, 0.00300899/step, 0.284015 hours remaining, 208.687500 MB of memory in use. ENERGY: 4660200 732.5526 2094.4651 1936.8411 110.8179 -206238.9760 17796.4488 0.0000 0.0000 34455.7540 -149112.0964 300.9107 -183567.8505 -149013.4506 299.4608 -86.7626 -57.2687 558421.9829 8.1683 8.3784 LDB: ============= START OF LOAD BALANCING ============== 13997.7 LDB: ============== END OF LOAD BALANCING =============== 13997.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13997.7 LDB: ============= START OF LOAD BALANCING ============== 13998 LDB: Largest compute 4773 load 0.028339 is 24.0% of average load 0.118323 LDB: Average compute 0.001728 is 1.5% of average load 0.118323 LDB: TIME 13998 LOAD: AVG 0.118323 MAX 0.21187 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.566 MB LDB: TIME 13998 LOAD: AVG 0.118323 MAX 0.21187 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.637 MB LDB: TIME 13998 LOAD: AVG 0.118323 MAX 0.21187 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.637 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13998 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13998 PRESSURE: 4660400 32.6855 20.729 75.4195 20.7297 -74.0274 238.043 75.4193 238.041 83.8137 GPRESSURE: 4660400 78.0661 -26.8242 74.8008 29.361 -36.8508 262.865 50.3865 245.142 79.8965 PRESSAVG: 4660400 -54.6309 100.185 -20.5404 100.185 -12.8024 -18.0781 -20.5404 -18.0781 21.9104 GPRESSAVG: 4660400 -54.8502 99.4322 -21.2641 100.52 -13.0669 -21.0931 -20.2955 -15.8113 22.2566 TIMING: 4660400 CPU: 13994.8, 0.00309118/step Wall: 13994.8, 0.00309118/step, 0.291601 hours remaining, 211.890625 MB of memory in use. ENERGY: 4660400 755.7638 2102.0099 1916.7495 111.3652 -206467.6482 17916.6341 0.0000 0.0000 34435.9527 -149229.1729 300.7377 -183665.1256 -149132.1193 299.6383 14.1573 40.3706 556755.9170 -15.1743 -15.2202 PRESSURE: 4660600 -129.857 55.524 80.4672 55.5229 105.988 72.718 80.4666 72.7174 131.033 GPRESSURE: 4660600 -89.162 88.2707 45.4456 21.0409 101.433 49.596 46.572 91.8142 178.729 PRESSAVG: 4660600 -47.047 45.8767 25.6116 45.8768 -15.8885 -19.3825 25.6115 -19.3826 40.8754 GPRESSAVG: 4660600 -46.7174 43.5435 25.4469 48.1287 -16.9546 -16.4084 27.2663 -20.6104 41.2711 TIMING: 4660600 CPU: 13995.4, 0.00300726/step Wall: 13995.4, 0.00300726/step, 0.283518 hours remaining, 212.035156 MB of memory in use. ENERGY: 4660600 752.0650 2068.4200 1917.9371 108.1448 -206412.5578 17923.7471 0.0000 0.0000 34339.0870 -149303.1567 299.8918 -183642.2437 -149203.2898 299.1591 35.7217 63.6669 557525.3576 -7.3534 -7.4669 PRESSURE: 4660800 124.779 1.72837 8.51755 1.72937 266.855 -256.032 8.5179 -256.033 -38.3209 GPRESSURE: 4660800 193.579 67.7367 1.48663 -90.8417 309.245 -314.87 -86.3396 -222.372 -51.0539 PRESSAVG: 4660800 25.7838 33.5236 -14.4578 33.5236 14.2767 3.54392 -14.4578 3.54389 2.43814 GPRESSAVG: 4660800 26.5651 35.3993 -14.8337 32.3375 14.8213 2.5072 -14.6897 3.63355 0.749304 TIMING: 4660800 CPU: 13996, 0.00300998/step Wall: 13996, 0.00300998/step, 0.283607 hours remaining, 212.035156 MB of memory in use. ENERGY: 4660800 744.8560 2118.0554 1942.6853 107.5042 -206453.5818 17928.8723 0.0000 0.0000 34395.2977 -149216.3109 300.3827 -183611.6087 -149118.2463 299.3222 117.7710 150.5900 555747.7523 14.1662 14.0452 PRESSURE: 4661000 -202.216 46.3458 7.52035 46.3444 -48.4048 -25.2228 7.52 -25.2227 -185.935 GPRESSURE: 4661000 -137.722 46.1005 80.1628 82.4983 -54.0347 -12.6617 -46.3696 4.82526 -155.272 PRESSAVG: 4661000 -8.94184 34.7975 0.279778 34.7975 -54.1448 -58.3237 0.279744 -58.3237 21.723 GPRESSAVG: 4661000 -9.62066 35.4267 2.73297 32.9566 -53.7186 -56.565 -0.782841 -60.4183 21.9274 TIMING: 4661000 CPU: 13996.6, 0.00301854/step Wall: 13996.6, 0.00301854/step, 0.284246 hours remaining, 212.035156 MB of memory in use. ENERGY: 4661000 734.6645 2108.2901 1953.7135 121.8095 -205894.5680 17552.6371 0.0000 0.0000 34230.9695 -149192.4837 298.9476 -183423.4532 -149099.1579 299.7390 -145.5185 -115.6760 557249.1375 -13.7879 -13.8039 PRESSURE: 4661200 -127.53 57.5412 56.65 57.5405 -391.279 237.551 56.6496 237.553 -44.9492 GPRESSURE: 4661200 -143.987 92.7398 71.5047 -14.078 -283.678 212.311 -15.7176 237.472 -34.2238 PRESSAVG: 4661200 41.3815 21.2301 -33.1708 21.23 -40.7266 -22.9637 -33.1709 -22.9637 2.66841 GPRESSAVG: 4661200 40.6934 19.9712 -35.8865 22.842 -40.8144 -23.8956 -31.0889 -20.8853 3.56663 TIMING: 4661200 CPU: 13997.2, 0.00301087/step Wall: 13997.2, 0.00301087/step, 0.283357 hours remaining, 212.035156 MB of memory in use. ENERGY: 4661200 755.7875 2086.8140 1952.7796 112.1957 -206035.3204 17465.1111 0.0000 0.0000 34400.6979 -149261.9346 300.4299 -183662.6325 -149158.2049 300.0307 -187.9194 -153.9629 556156.2824 1.1078 1.1485 PRESSURE: 4661400 8.83574 169.838 37.0012 169.838 -44.2832 -73.5378 37.0006 -73.5382 -117.264 GPRESSURE: 4661400 -29.4152 166.001 -32.0046 208.625 32.7788 -116.465 95.3086 -13.9008 -54.7311 PRESSAVG: 4661400 -5.99294 29.1464 -17.5829 29.1465 78.4234 3.50695 -17.583 3.50688 -39.5137 GPRESSAVG: 4661400 -6.18076 28.7587 -17.7955 28.9885 78.4267 5.55109 -17.2057 3.06779 -39.317 TIMING: 4661400 CPU: 13997.8, 0.00299615/step Wall: 13997.8, 0.00299615/step, 0.281804 hours remaining, 212.035156 MB of memory in use. ENERGY: 4661400 756.8068 2059.9994 1940.3680 123.9165 -206363.8392 17677.3469 0.0000 0.0000 34426.0951 -149379.3065 300.6517 -183805.4016 -149281.4498 299.2145 -50.9037 -17.1225 556223.4876 10.9723 10.9763 PRESSURE: 4661600 363.08 -204.285 17.9595 -204.284 34.803 -22.8923 17.9581 -22.8925 327.643 GPRESSURE: 4661600 388.561 -263.916 114.655 -86.6911 78.5858 -13.3124 -45.1194 -1.36825 357.794 PRESSAVG: 4661600 59.2458 -45.1416 15.8996 -45.1415 -36.9872 -32.8041 15.8996 -32.8041 2.04701 GPRESSAVG: 4661600 59.913 -45.0041 16.8062 -44.611 -37.2854 -36.0308 13.5863 -32.0142 2.03345 TIMING: 4661600 CPU: 13998.4, 0.00301064/step Wall: 13998.4, 0.00301064/step, 0.283001 hours remaining, 212.035156 MB of memory in use. ENERGY: 4661600 751.9999 2100.7781 1929.4373 125.0809 -206687.0428 18175.8209 0.0000 0.0000 34423.5490 -149180.3768 300.6294 -183603.9258 -149083.5793 299.6298 241.8421 274.9800 555537.1189 8.1019 8.2204 PRESSURE: 4661800 -161.929 70.9909 -245.399 70.9924 66.4773 -173.141 -245.398 -173.141 82.02 GPRESSURE: 4661800 -155.711 81.7519 -260.612 83.5942 127.961 -119.98 -174.33 -213.346 99.2564 PRESSAVG: 4661800 16.6957 9.62902 -4.16854 9.62913 -52.9728 -1.98371 -4.16852 -1.98369 8.20171 GPRESSAVG: 4661800 15.9661 10.0967 -4.5498 9.15461 -51.9014 -0.647546 -3.40349 -2.21905 7.75059 TIMING: 4661800 CPU: 13999, 0.00300377/step Wall: 13999, 0.00300377/step, 0.282187 hours remaining, 212.035156 MB of memory in use. ENERGY: 4661800 784.4670 2116.3901 1954.5852 117.2941 -206365.3534 17805.8531 0.0000 0.0000 34527.5482 -149059.2157 301.5377 -183586.7639 -148953.9241 299.8524 -4.4773 23.8352 557244.7025 -9.3584 -9.3949 PRESSURE: 4662000 -111.353 109.116 75.1841 109.117 -217.791 63.5163 75.1849 63.5154 22.763 GPRESSURE: 4662000 -124.625 65.1248 23.9036 130.81 -162.298 60.13 123.112 81.7982 70.8393 PRESSAVG: 4662000 -10.1806 31.6603 6.37082 31.6603 12.68 3.89189 6.37091 3.89199 -17.8751 GPRESSAVG: 4662000 -10.1078 31.1126 4.4281 31.3393 10.4702 4.75331 7.21687 2.3829 -16.0388 TIMING: 4662000 CPU: 13999.6, 0.0029971/step Wall: 13999.6, 0.0029971/step, 0.281394 hours remaining, 212.035156 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: 4662000 743.2940 2051.4553 1974.7439 119.3316 -205979.7484 17650.4830 0.0000 0.0000 34389.9746 -149050.4660 300.3362 -183440.4406 -148949.2372 300.2082 -102.1271 -72.0280 558373.0408 -5.1252 -5.2255 PRESSURE: 4662200 128.412 71.4993 37.3054 71.4987 94.3379 101.531 37.3048 101.529 -20.1114 GPRESSURE: 4662200 158.979 121.441 73.2582 46.5966 136.792 65.3018 124.837 62.3739 6.6132 PRESSAVG: 4662200 -13.2295 -7.57415 3.56822 -7.57413 41.4248 17.1422 3.56819 17.1423 27.3161 GPRESSAVG: 4662200 -12.6407 -7.09953 6.12498 -6.62296 41.8204 16.0151 0.679693 17.7039 25.9798 TIMING: 4662200 CPU: 14000.2, 0.00295674/step Wall: 14000.2, 0.00295674/step, 0.277441 hours remaining, 212.035156 MB of memory in use. ENERGY: 4662200 740.7719 2147.6113 1923.3341 107.2032 -206133.1186 17870.4642 0.0000 0.0000 34049.5384 -149294.1955 297.3631 -183343.7338 -149190.0671 299.5721 67.5461 100.7947 557380.4654 18.5038 18.3865 PRESSURE: 4662400 -198.492 59.5513 -47.2763 59.5511 90.2107 117.004 -47.2759 117.004 -191.774 GPRESSURE: 4662400 -129.847 44.2836 -17.4574 124.637 123.659 67.1676 -8.00466 107.647 -187.468 PRESSAVG: 4662400 -33.9284 -3.39545 -15.5469 -3.39544 26.2371 28.5079 -15.5469 28.5078 -42.2906 GPRESSAVG: 4662400 -32.8613 -4.07642 -14.7279 -2.66225 25.8709 27.5051 -14.3225 28.6742 -43.132 TIMING: 4662400 CPU: 14000.8, 0.00296664/step Wall: 14000.8, 0.00296664/step, 0.278205 hours remaining, 212.035156 MB of memory in use. ENERGY: 4662400 742.9839 2060.2252 1957.9783 120.3825 -206112.8115 17682.8405 0.0000 0.0000 34257.4162 -149290.9849 299.1785 -183548.4011 -149195.2417 299.3032 -100.0185 -64.5522 556643.6430 -16.6606 -16.7074 PRESSURE: 4662600 -2.89437 -194.288 64.2655 -194.288 144.705 -81.0571 64.2673 -81.0582 -392.742 GPRESSURE: 4662600 6.69684 -259.981 -23.0292 -94.9763 173.614 -133.454 19.246 -47.0528 -343.899 PRESSAVG: 4662600 47.7363 -26.55 51.4545 -26.55 -32.1505 -7.11749 51.4546 -7.11756 42.6012 GPRESSAVG: 4662600 47.246 -27.0324 51.4179 -25.9185 -31.8653 -6.36702 51.1316 -6.68772 43.3357 TIMING: 4662600 CPU: 14001.4, 0.00297949/step Wall: 14001.4, 0.00297949/step, 0.279244 hours remaining, 212.035156 MB of memory in use. ENERGY: 4662600 742.3913 2121.2796 1927.6197 118.6593 -206043.4899 17585.6028 0.0000 0.0000 34497.1608 -149050.7764 301.2723 -183547.9372 -148953.8918 299.3184 -83.6440 -54.5293 557046.6276 19.3957 19.5721 PRESSURE: 4662800 422.348 -73.1228 -61.1633 -73.1233 -1.61896 11.1206 -61.1627 11.1198 235.251 GPRESSURE: 4662800 471.008 -69.7362 -125.999 -78.0222 31.0637 48.4203 -51.9413 -19.3991 253.623 PRESSAVG: 4662800 6.59552 -4.45776 54.6327 -4.45766 7.28422 -60.0365 54.6327 -60.0365 -2.03155 GPRESSAVG: 4662800 6.83695 -4.1838 51.9833 -4.90351 6.81856 -58.4407 55.9378 -59.8916 -2.03691 TIMING: 4662800 CPU: 14001.9, 0.00296651/step Wall: 14001.9, 0.00296651/step, 0.277863 hours remaining, 212.035156 MB of memory in use. ENERGY: 4662800 737.8037 2024.1859 1966.7860 115.8394 -206555.5048 18183.8341 0.0000 0.0000 34258.5347 -149268.5209 299.1883 -183527.0556 -149176.6097 300.0536 218.6602 251.8982 556119.2031 3.9494 3.8729 PRESSURE: 4663000 -253.71 -77.0347 -22.9159 -77.0351 -43.7522 74.8954 -22.9157 74.8955 98.1532 GPRESSURE: 4663000 -238.832 -17.343 10.889 -72.7294 25.2365 86.1977 -17.1896 59.4334 124.157 PRESSAVG: 4663000 48.5411 -62.8666 -17.0832 -62.8667 -17.7574 19.6091 -17.0832 19.6089 -5.98425 GPRESSAVG: 4663000 48.2504 -62.4015 -14.949 -62.9489 -17.8554 20.1236 -17.7172 18.2212 -5.76688 TIMING: 4663000 CPU: 14002.5, 0.00297054/step Wall: 14002.5, 0.00297054/step, 0.278076 hours remaining, 212.035156 MB of memory in use. ENERGY: 4663000 787.6258 2080.6201 1943.1798 119.0061 -206054.3450 17616.4215 0.0000 0.0000 34353.8915 -149153.6003 300.0211 -183507.4917 -149053.9445 299.4725 -66.4365 -29.8128 557675.3418 8.2665 8.2094 PRESSURE: 4663200 -84.3321 20.6152 -83.2504 20.6161 -65.8567 -170.417 -83.2505 -170.417 -209.841 GPRESSURE: 4663200 -40.226 -60.0986 -147.622 109.285 -76.4642 -150.485 -78.7316 -226.912 -153.328 PRESSAVG: 4663200 -13.2535 -52.6418 18.4175 -52.6417 33.2744 -13.5942 18.4176 -13.5943 -32.727 GPRESSAVG: 4663200 -13.8463 -52.3438 18.9153 -52.9305 34.1472 -15.039 17.9577 -13.5503 -32.9999 TIMING: 4663200 CPU: 14003.1, 0.00296481/step Wall: 14003.1, 0.00296481/step, 0.277374 hours remaining, 212.035156 MB of memory in use. ENERGY: 4663200 753.0871 2061.3680 1938.1369 120.3205 -205901.7008 17608.3945 0.0000 0.0000 34345.2841 -149075.1098 299.9459 -183420.3939 -148973.0478 299.9871 -120.0099 -90.0060 558777.2765 -4.2354 -4.2330 PRESSURE: 4663400 -137.306 57.7722 88.1306 57.7722 -53.8858 -100.305 88.131 -100.305 68.3012 GPRESSURE: 4663400 -149.086 -41.6276 66.5752 121.15 3.71436 -59.8568 93.8681 -107.635 125.428 PRESSAVG: 4663400 -73.9214 22.6325 -30.0691 22.6324 52.0484 -35.0158 -30.0691 -35.0157 -2.2136 GPRESSAVG: 4663400 -72.9809 20.7938 -30.2025 23.2528 51.7476 -34.0736 -28.0723 -35.7133 -2.51937 TIMING: 4663400 CPU: 14003.7, 0.00300293/step Wall: 14003.7, 0.00300293/step, 0.280774 hours remaining, 212.035156 MB of memory in use. ENERGY: 4663400 758.4148 2140.2305 1945.6445 96.8037 -206064.3684 17790.7550 0.0000 0.0000 34220.1641 -149112.3557 298.8532 -183332.5198 -149018.7753 299.2704 -40.9637 -6.6480 558633.1765 -8.0289 -7.9176 PRESSURE: 4663600 174.638 276.828 59.9949 276.827 87.1732 31.5411 59.9938 31.5409 20.5406 GPRESSURE: 4663600 254.353 264.603 47.4644 178.751 122.598 41.7736 150.549 89.4874 5.46662 PRESSAVG: 4663600 -0.115615 -0.44057 -18.6583 -0.440561 -22.1713 11.5109 -18.6582 11.5108 36.7172 GPRESSAVG: 4663600 -0.499842 1.28175 -18.5238 -0.211994 -22.4357 11.0457 -20.3502 12.2487 37.7484 TIMING: 4663600 CPU: 14004.3, 0.00299504/step Wall: 14004.3, 0.00299504/step, 0.27987 hours remaining, 212.035156 MB of memory in use. ENERGY: 4663600 721.7236 2133.6447 1966.6823 104.3777 -206124.5803 17790.7374 0.0000 0.0000 34212.7047 -149194.7099 298.7881 -183407.4146 -149100.3063 298.5791 94.1171 127.4725 556447.8368 4.8101 4.9376 PRESSURE: 4663800 -40.9597 0.898445 -150.602 0.898332 -45.7514 19.6137 -150.603 19.6118 -249.957 GPRESSURE: 4663800 -11.9748 -30.3164 -107.693 72.2409 11.9847 134.83 -171.472 30.8894 -245.248 PRESSAVG: 4663800 -85.5578 -43.7453 37.5744 -43.7452 112.398 -46.9501 37.5744 -46.9503 1.81142 GPRESSAVG: 4663800 -85.9794 -44.9808 37.9155 -46.4334 112.729 -46.6166 38.1642 -46.2163 1.81515 TIMING: 4663800 CPU: 14004.9, 0.00300416/step Wall: 14004.9, 0.00300416/step, 0.280555 hours remaining, 212.035156 MB of memory in use. ENERGY: 4663800 736.4123 2019.9035 1939.5057 99.7720 -206146.4079 17672.1507 0.0000 0.0000 34427.4103 -149251.2533 300.6631 -183678.6636 -149150.9633 298.8015 -112.2225 -81.7459 558011.6456 9.5505 9.5214 PRESSURE: 4664000 47.931 -78.7062 29.2242 -78.7055 -114.242 37.8737 29.2227 37.8735 7.45612 GPRESSURE: 4664000 27.4375 -21.7324 33.8671 -21.5199 -52.7014 56.5126 53.8454 -23.2484 58.7798 PRESSAVG: 4664000 40.4235 -23.0646 42.8105 -23.0647 -16.5009 21.538 42.8104 21.5379 -57.0232 GPRESSAVG: 4664000 40.4311 -20.3932 43.1286 -22.0348 -15.871 21.0603 42.0525 21.0941 -57.6928 TIMING: 4664000 CPU: 14005.5, 0.00302108/step Wall: 14005.5, 0.00302108/step, 0.281967 hours remaining, 212.035156 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: 4664000 743.4964 2048.2665 1930.5368 97.8918 -205870.0435 17760.7433 0.0000 0.0000 34184.7046 -149104.4041 298.5435 -183289.1087 -149006.0989 299.0209 -19.6181 11.1720 559771.5105 -11.0335 -11.0442 PRESSURE: 4664200 -120.693 31.1561 47.7118 31.1554 -323.27 18.3466 47.7126 18.3465 -296.424 GPRESSURE: 4664200 -113.183 -66.5496 -45.2031 96.6825 -259.694 -35.4231 74.0391 80.2101 -263.4 PRESSAVG: 4664200 6.51284 21.492 38.4167 21.492 -3.01751 14.4728 38.4168 14.4728 17.1739 GPRESSAVG: 4664200 7.1382 19.1291 37.6881 20.8979 -2.6137 15.6523 38.8964 13.7419 16.5058 TIMING: 4664200 CPU: 14006.1, 0.00298185/step Wall: 14006.1, 0.00298185/step, 0.27814 hours remaining, 212.035156 MB of memory in use. ENERGY: 4664200 759.1849 2060.5819 1946.1603 113.5657 -205896.6299 17510.7763 0.0000 0.0000 34391.1341 -149115.2267 300.3463 -183506.3608 -149013.7500 299.2788 -246.7955 -212.0921 559685.7470 6.8898 7.0101 LDB: ============= START OF LOAD BALANCING ============== 14009.6 LDB: ============== END OF LOAD BALANCING =============== 14009.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14009.7 LDB: ============= START OF LOAD BALANCING ============== 14009.9 LDB: Largest compute 4773 load 0.025531 is 21.6% of average load 0.118191 LDB: Average compute 0.001731 is 1.5% of average load 0.118191 LDB: TIME 14010 LOAD: AVG 0.118191 MAX 0.20996 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.953 MB LDB: TIME 14010 LOAD: AVG 0.118191 MAX 0.20996 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.953 MB LDB: TIME 14010 LOAD: AVG 0.118191 MAX 0.20996 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.953 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14010 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14010 PRESSURE: 4664400 31.7383 41.9194 -0.947872 41.92 28.709 -59.4662 -0.947335 -59.4675 -78.4734 GPRESSURE: 4664400 21.6234 174.504 -17.0134 -76.8215 56.556 -62.7033 2.56518 -79.5315 -6.7697 PRESSAVG: 4664400 3.25526 -0.553359 72.2208 -0.553453 19.1364 -17.5714 72.2208 -17.5716 -3.90778 GPRESSAVG: 4664400 3.51618 0.819274 75.1356 -0.503948 19.5544 -20.1236 71.9355 -16.5227 -4.10876 TIMING: 4664400 CPU: 14006.7, 0.00303124/step Wall: 14006.7, 0.00303124/step, 0.282579 hours remaining, 209.496094 MB of memory in use. ENERGY: 4664400 729.8981 2052.1237 1945.0845 106.3360 -206068.3378 17886.3515 0.0000 0.0000 34345.5225 -149003.0216 299.9480 -183348.5440 -148914.8225 299.8512 -6.0087 23.8032 559842.0299 6.1613 6.3206 PRESSURE: 4664600 128.005 56.431 -56.4551 56.4303 -338.936 -26.0381 -56.4554 -26.0358 -99.052 GPRESSURE: 4664600 142.999 56.5952 -164.35 22.3106 -290.25 46.8989 12.3746 -15.9834 -61.1025 PRESSAVG: 4664600 56.6586 9.03408 21.1398 9.03406 -46.9055 63.5123 21.1398 63.5123 -5.42369 GPRESSAVG: 4664600 56.6465 10.5311 18.8536 8.64511 -47.8458 65.2738 21.6109 61.5609 -4.57365 TIMING: 4664600 CPU: 14007.3, 0.00298969/step Wall: 14007.3, 0.00298969/step, 0.27854 hours remaining, 209.496094 MB of memory in use. ENERGY: 4664600 734.1376 2092.3491 1937.4671 96.9293 -205785.4742 17711.2967 0.0000 0.0000 34268.8009 -148944.4934 299.2780 -183213.2943 -148847.3870 299.4754 -103.3275 -69.4510 560428.5616 1.4431 1.4090 PRESSURE: 4664800 -151.269 81.8648 1.5703 81.8648 -292.28 -138.131 1.56997 -138.132 -257.545 GPRESSURE: 4664800 -127.262 52.6173 16.1675 106.308 -214.164 -92.2683 -82.9636 -179.295 -254.559 PRESSAVG: 4664800 82.859 2.28977 19.2189 2.28968 -31.1081 -14.7125 19.219 -14.7124 -17.5705 GPRESSAVG: 4664800 82.8396 1.16133 19.4074 2.25324 -31.1328 -15.6523 19.2043 -14.0302 -17.2172 TIMING: 4664800 CPU: 14007.9, 0.00295923/step Wall: 14007.9, 0.00295923/step, 0.275537 hours remaining, 209.496094 MB of memory in use. ENERGY: 4664800 767.1051 2077.6468 1932.7844 101.5760 -205986.3674 17618.7678 0.0000 0.0000 34589.2743 -148899.2129 302.0767 -183488.4872 -148802.4476 299.0937 -233.6978 -198.6615 559540.1681 11.3935 11.4966 PRESSURE: 4665000 136.073 -59.0668 -19.5192 -59.067 -24.3656 -183.102 -19.5192 -183.103 -132.568 GPRESSURE: 4665000 173.865 -105.298 -7.11603 -67.0494 62.3096 -158.154 28.8364 -292.438 -149.135 PRESSAVG: 4665000 36.2392 -49.5303 46.1314 -49.5303 -44.4372 -19.4536 46.1314 -19.4536 28.515 GPRESSAVG: 4665000 36.5296 -50.1491 45.1166 -48.4691 -44.045 -18.8925 47.4654 -19.0919 27.7683 TIMING: 4665000 CPU: 14008.5, 0.00299727/step Wall: 14008.5, 0.00299727/step, 0.278912 hours remaining, 209.496094 MB of memory in use. ENERGY: 4665000 732.6016 2102.5253 1945.3772 119.0835 -205670.9894 17806.0771 0.0000 0.0000 34186.7758 -148778.5489 298.5616 -182965.3246 -148683.1191 300.5814 -6.9538 29.0132 560389.4523 6.7723 6.7509 PRESSURE: 4665200 91.5754 -64.3777 -128.041 -64.3794 -58.5917 -125.554 -128.042 -125.552 211.116 GPRESSURE: 4665200 100.283 -111.505 -125.952 -60.3642 58.6771 -135.642 -150.497 -82.9616 185.692 PRESSAVG: 4665200 23.474 -3.60066 21.4253 -3.60062 -44.7351 -10.2775 21.4254 -10.2774 -22.499 GPRESSAVG: 4665200 23.8554 -3.71769 21.2269 -2.47023 -45.4528 -9.76923 21.0546 -12.5327 -22.6553 TIMING: 4665200 CPU: 14009.1, 0.00297993/step Wall: 14009.1, 0.00297993/step, 0.277134 hours remaining, 209.496094 MB of memory in use. ENERGY: 4665200 765.7453 2069.0391 1923.7475 107.4885 -206028.2627 17933.9482 0.0000 0.0000 34561.3157 -148666.9783 301.8326 -183228.2940 -148573.1240 300.6414 81.3665 114.8839 560230.3941 -14.5867 -14.7509 PRESSURE: 4665400 54.4287 4.31101 -15.8717 4.31128 75.7896 19.0842 -15.8725 19.0855 51.7572 GPRESSURE: 4665400 82.8238 14.855 39.0437 29.6947 59.3344 22.5365 -52.9347 40.4332 131.327 PRESSAVG: 4665400 5.45524 16.0109 -9.16079 16.0108 44.7158 -62.4192 -9.16075 -62.4192 -48.0249 GPRESSAVG: 4665400 5.44038 16.5669 -7.76173 15.12 44.8478 -63.641 -9.22532 -59.2315 -48.2873 TIMING: 4665400 CPU: 14009.7, 0.00300068/step Wall: 14009.7, 0.00300068/step, 0.278897 hours remaining, 209.496094 MB of memory in use. ENERGY: 4665400 775.4375 2107.3811 1950.6441 117.5173 -206543.1960 18244.6572 0.0000 0.0000 34499.5163 -148848.0424 301.2929 -183347.5587 -148750.2997 300.4280 60.6585 91.1617 559180.5681 0.7154 0.6670 PRESSURE: 4665600 9.19222 94.5781 9.91355 94.5783 -272.371 -86.0198 9.9122 -86.0203 -322.063 GPRESSURE: 4665600 24.8559 171.643 -3.21069 122.024 -235.766 -94.643 -20.8448 -67.1317 -273.091 PRESSAVG: 4665600 37.3249 6.47348 71.0446 6.47344 1.2897 -27.4976 71.0446 -27.4976 -26.4014 GPRESSAVG: 4665600 36.8558 5.73314 69.1394 6.82648 0.833058 -27.84 73.1705 -28.1069 -25.2238 TIMING: 4665600 CPU: 14010.3, 0.00296025/step Wall: 14010.3, 0.00296025/step, 0.274974 hours remaining, 209.496094 MB of memory in use. ENERGY: 4665600 749.7284 2100.0065 1950.8467 123.9663 -205782.2410 17584.2265 0.0000 0.0000 34539.1915 -148734.2750 301.6394 -183273.4665 -148645.5740 300.2940 -195.0808 -161.3338 559635.8256 4.0711 4.1550 PRESSURE: 4665800 91.6563 67.9517 248.533 67.9517 170.27 -81.0718 248.532 -81.0722 125.945 GPRESSURE: 4665800 122.285 114.018 280.578 63.2582 237.922 28.8889 264.541 -106.683 139.736 PRESSAVG: 4665800 11.5997 38.5362 -10.4265 38.5362 -54.8862 -5.89394 -10.4265 -5.89388 29.4784 GPRESSAVG: 4665800 12.8344 38.7647 -9.8281 37.0658 -55.6241 -4.56691 -13.0496 -5.87431 29.7267 TIMING: 4665800 CPU: 14010.9, 0.00296975/step Wall: 14010.9, 0.00296975/step, 0.275691 hours remaining, 209.554688 MB of memory in use. ENERGY: 4665800 706.1177 2064.2137 1910.1876 102.3131 -205719.0971 17851.8711 0.0000 0.0000 34482.4647 -148601.9291 301.1439 -183084.3938 -148500.6991 300.8139 129.2905 166.6479 558631.9248 -4.6027 -4.3544 PRESSURE: 4666000 70.2067 19.5118 80.7554 19.5124 -274.8 87.7781 80.7559 87.7777 11.7663 GPRESSURE: 4666000 63.0784 26.4881 22.7547 -4.35792 -222.317 2.66222 73.7066 123.061 58.8573 PRESSAVG: 4666000 105.985 30.9676 42.7276 30.9676 -86.7941 -8.03597 42.7276 -8.03593 23.836 GPRESSAVG: 4666000 104.437 33.1045 41.8385 31.6708 -85.7707 -8.61868 43.0795 -7.5298 24.6025 TIMING: 4666000 CPU: 14011.5, 0.00298182/step Wall: 14011.5, 0.00298182/step, 0.276646 hours remaining, 209.691406 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: 4666000 721.8663 2066.7851 1911.0314 119.5121 -205605.4958 17589.9363 0.0000 0.0000 34566.6783 -148629.6863 301.8794 -183196.3647 -148531.6259 301.7918 -64.2755 -33.4605 558507.1817 14.3423 14.4228 PRESSURE: 4666200 -317.606 37.4809 -34.5585 37.4805 -186.828 146.635 -34.5586 146.636 117.36 GPRESSURE: 4666200 -294.878 -5.88429 -78.8625 34.8713 -128.695 144.687 -48.881 107.944 125.176 PRESSAVG: 4666200 -10.8661 -19.2968 1.07944 -19.2968 -9.97702 39.3147 1.07942 39.3148 26.726 GPRESSAVG: 4666200 -12.0749 -20.059 1.94616 -19.3138 -9.45561 39.12 2.37879 38.4763 27.7914 TIMING: 4666200 CPU: 14012.1, 0.00296773/step Wall: 14012.1, 0.00296773/step, 0.275175 hours remaining, 209.691406 MB of memory in use. ENERGY: 4666200 744.8533 2077.7614 1915.6245 116.1054 -205189.7919 17402.0639 0.0000 0.0000 34457.1754 -148476.2081 300.9231 -182933.3835 -148377.3383 301.1553 -129.0248 -99.4656 557911.3098 1.9609 2.0870 PRESSURE: 4666400 -155.917 1.81215 -25.9834 1.81135 -134.34 79.3204 -25.9828 79.3202 -297.643 GPRESSURE: 4666400 -168.174 -26.3955 -79.8563 26.3109 -78.7634 151.513 65.7764 43.5929 -241.142 PRESSAVG: 4666400 -47.151 -25.773 24.1691 -25.773 17.3577 11.1271 24.169 11.127 78.5604 GPRESSAVG: 4666400 -45.4574 -25.3918 24.6928 -26.2889 17.7795 11.1141 23.7268 10.6101 76.316 TIMING: 4666400 CPU: 14012.7, 0.00297818/step Wall: 14012.7, 0.00297818/step, 0.275978 hours remaining, 209.691406 MB of memory in use. ENERGY: 4666400 754.2018 2037.1182 1944.2871 116.8085 -205519.9314 17620.4605 0.0000 0.0000 34573.0726 -148473.9829 301.9352 -183047.0555 -148376.2157 301.0450 -195.9665 -162.6932 559886.1442 16.2557 16.2127 PRESSURE: 4666600 34.8678 -33.5595 40.9822 -33.5584 -254.868 -44.146 40.982 -44.1459 -152.558 GPRESSURE: 4666600 -9.22998 -2.87205 32.5898 -92.1935 -232.596 -61.3178 59.4484 15.8371 -30.6541 PRESSAVG: 4666600 -35.8701 -28.2285 90.2873 -28.2285 23.4114 -29.8329 90.2873 -29.8328 -19.0917 GPRESSAVG: 4666600 -36.5632 -28.9434 89.3083 -26.6439 21.6864 -29.0803 91.564 -29.1015 -17.0187 TIMING: 4666600 CPU: 14013.3, 0.0029674/step Wall: 14013.3, 0.0029674/step, 0.274815 hours remaining, 209.691406 MB of memory in use. ENERGY: 4666600 715.4941 2071.6037 1930.5484 113.4766 -205468.9412 17553.2821 0.0000 0.0000 34514.1711 -148570.3652 301.4208 -183084.5363 -148474.0076 300.7420 -124.1861 -90.8267 560471.9296 -10.5168 -10.6318 PRESSURE: 4666800 -283.022 -212.722 -117.176 -212.721 153.518 -203.661 -117.175 -203.661 -101.569 GPRESSURE: 4666800 -207.801 -313.329 -69.6411 -192.969 115.141 -145.052 -138.145 -199.698 -39.7303 PRESSAVG: 4666800 35.2396 -44.013 19.9532 -44.0131 -34.9083 -14.4758 19.9532 -14.4758 38.9517 GPRESSAVG: 4666800 36.1313 -44.1475 21.3499 -44.7791 -34.255 -14.3261 16.0298 -13.6979 37.8248 TIMING: 4666800 CPU: 14013.9, 0.00295464/step Wall: 14013.9, 0.00295464/step, 0.273468 hours remaining, 209.691406 MB of memory in use. ENERGY: 4666800 700.0917 2103.7449 1932.8971 110.4222 -205332.6833 17675.6135 0.0000 0.0000 34177.1048 -148632.8091 298.4772 -182809.9139 -148544.6861 300.9762 -77.0243 -44.1303 560218.4269 13.0943 13.2337 PRESSURE: 4667000 127.918 -210.371 3.23774 -210.372 -42.3845 -186.09 3.23871 -186.09 -73.4833 GPRESSURE: 4667000 127.424 -106.469 -9.75167 -305.093 -5.04461 -197.686 48.6889 -156.11 -10.1728 PRESSAVG: 4667000 42.6641 -75.3164 8.14539 -75.3165 -65.7084 -14.4127 8.14554 -14.4127 25.4318 GPRESSAVG: 4667000 43.1443 -75.636 7.2012 -75.0377 -65.2937 -13.546 11.1986 -15.6276 24.3254 TIMING: 4667000 CPU: 14014.5, 0.00296357/step Wall: 14014.5, 0.00296357/step, 0.27413 hours remaining, 209.691406 MB of memory in use. ENERGY: 4667000 757.5724 2041.5880 1938.9388 120.6530 -205673.5178 17734.8212 0.0000 0.0000 34496.4934 -148583.4511 301.2665 -183079.9445 -148491.4249 300.9161 4.0169 37.4023 558327.4609 0.7958 0.7253 PRESSURE: 4667200 -199.814 -45.2694 -189.697 -45.2696 29.1171 -92.3941 -189.697 -92.3946 -113.502 GPRESSURE: 4667200 -189.232 -44.9523 -157.819 -24.5952 77.3796 -32.1556 -202.075 -107.872 -89.0313 PRESSAVG: 4667200 29.0133 -55.1026 -33.6553 -55.1026 37.936 -30.8909 -33.6553 -30.891 1.89742 GPRESSAVG: 4667200 27.8591 -57.3621 -34.2191 -55.178 39.9356 -30.8042 -34.2997 -31.3775 1.84956 TIMING: 4667200 CPU: 14015.1, 0.00295924/step Wall: 14015.1, 0.00295924/step, 0.273565 hours remaining, 209.691406 MB of memory in use. ENERGY: 4667200 738.6820 2102.1266 1933.8502 111.3992 -205530.6078 17681.8362 0.0000 0.0000 34611.5351 -148351.1784 302.2711 -182962.7135 -148253.2827 301.0930 -94.7328 -66.9614 560120.1056 22.9489 23.2148 PRESSURE: 4667400 310.592 -276.357 63.4705 -276.356 -10.1402 -95.2152 63.4712 -95.2154 -172.905 GPRESSURE: 4667400 341.275 -224.612 160.833 -264.574 43.5042 -1.59289 15.8306 -179.352 -146.755 PRESSAVG: 4667400 57.7045 -6.61458 41.7977 -6.61452 -12.6125 -1.52362 41.7977 -1.52352 -38.3787 GPRESSAVG: 4667400 59.0039 -4.55961 43.3837 -5.26344 -13.8281 -3.02098 41.1909 0.443611 -37.9765 TIMING: 4667400 CPU: 14015.7, 0.00296257/step Wall: 14015.7, 0.00296257/step, 0.273709 hours remaining, 209.691406 MB of memory in use. ENERGY: 4667400 726.7263 2171.3664 1914.9313 113.4414 -205659.2513 17863.5741 0.0000 0.0000 34524.2528 -148344.9589 301.5089 -182869.2117 -148239.2813 301.5136 42.5158 79.3413 559426.6746 2.2378 2.3998 PRESSURE: 4667600 -71.5329 -12.4214 -195.811 -12.4208 93.9218 69.5415 -195.809 69.5419 59.1595 GPRESSURE: 4667600 8.44278 41.3314 -200.149 -2.51013 110.328 138.842 -260.623 98.8754 64.9453 PRESSAVG: 4667600 80.4141 26.8702 -24.0209 26.8701 -14.8812 -2.95357 -24.0209 -2.9536 -65.5356 GPRESSAVG: 4667600 80.646 28.121 -24.8323 23.0177 -16.2566 -1.39393 -25.032 -3.21782 -64.874 TIMING: 4667600 CPU: 14016.2, 0.00294273/step Wall: 14016.2, 0.00294273/step, 0.271712 hours remaining, 209.691406 MB of memory in use. ENERGY: 4667600 730.3262 2044.7635 1954.3512 112.4966 -205384.6113 17693.5957 0.0000 0.0000 34549.7663 -148299.3117 301.7317 -182849.0781 -148201.6115 301.8529 27.1828 61.2386 557757.5142 -0.0009 -0.1615 PRESSURE: 4667800 -135.281 95.2455 33.704 95.2462 -128.87 87.0003 33.7023 87.0019 69.0336 GPRESSURE: 4667800 -58.779 164.734 40.4774 50.3356 -139.685 82.3831 108.022 49.9891 100.078 PRESSAVG: 4667800 -4.49771 14.0651 -56.5891 14.0651 -19.8445 -4.27862 -56.5891 -4.27844 58.7997 GPRESSAVG: 4667800 -5.04636 12.7454 -58.0809 16.0021 -19.7023 -5.73528 -55.0843 -4.12053 58.6916 TIMING: 4667800 CPU: 14016.8, 0.00297033/step Wall: 14016.8, 0.00297033/step, 0.274095 hours remaining, 209.691406 MB of memory in use. ENERGY: 4667800 756.8652 2103.3090 1954.3305 116.4504 -205515.4380 17597.9137 0.0000 0.0000 34416.3228 -148570.2463 300.5663 -182986.5691 -148476.3575 301.6350 -65.0393 -32.7955 558257.1531 11.4858 11.3143 PRESSURE: 4668000 162.493 -184.741 42.5841 -184.741 -22.5421 -132.783 42.586 -132.783 53.7008 GPRESSURE: 4668000 195.076 -187.568 15.8255 -91.5464 58.7191 -203.115 -20.7398 -95.328 33.1096 PRESSAVG: 4668000 -10.2023 -1.08083 -57.4214 -1.08096 0.170787 -60.9295 -57.4214 -60.9294 17.9955 GPRESSAVG: 4668000 -10.3876 -1.9228 -56.1965 -0.413619 0.228628 -61.2122 -57.392 -60.6363 17.8674 TIMING: 4668000 CPU: 14017.4, 0.0029948/step Wall: 14017.4, 0.0029948/step, 0.276187 hours remaining, 209.691406 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: 4668000 767.0442 2107.5115 1930.2323 99.9519 -205936.4723 17796.1601 0.0000 0.0000 34482.2598 -148753.3126 301.1422 -183235.5723 -148655.3382 301.0970 64.5506 95.6350 558189.9711 2.6547 2.5695 PRESSURE: 4668200 -155.814 -109.276 -29.1671 -109.276 15.8005 198.177 -29.1665 198.177 209.559 GPRESSURE: 4668200 -105.237 -84.8609 -87.5935 -101.844 43.805 237.672 15.4143 184.78 226.319 PRESSAVG: 4668200 -45.2494 0.829021 3.76479 0.829005 -38.3567 17.2037 3.76477 17.2038 41.6818 GPRESSAVG: 4668200 -45.4775 0.980865 1.94314 -0.393393 -37.9814 19.6042 4.43551 15.6083 41.5746 TIMING: 4668200 CPU: 14018, 0.00299978/step Wall: 14018, 0.00299978/step, 0.27648 hours remaining, 209.691406 MB of memory in use. ENERGY: 4668200 763.1875 2105.9535 1931.1796 110.2933 -205739.6047 17708.7476 0.0000 0.0000 34299.2751 -148820.9681 299.5441 -183120.2432 -148728.0309 300.5920 23.1817 54.9624 557788.4543 -13.9748 -13.9614 LDB: ============= START OF LOAD BALANCING ============== 14021.6 LDB: ============== END OF LOAD BALANCING =============== 14021.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14021.6 LDB: ============= START OF LOAD BALANCING ============== 14021.9 LDB: Largest compute 4796 load 0.025415 is 21.5% of average load 0.118261 LDB: Average compute 0.001728 is 1.5% of average load 0.118261 LDB: TIME 14021.9 LOAD: AVG 0.118261 MAX 0.210471 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.492 MB LDB: TIME 14021.9 LOAD: AVG 0.118261 MAX 0.210471 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.492 MB LDB: TIME 14021.9 LOAD: AVG 0.118261 MAX 0.210471 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.492 MB LDB: ============== END OF LOAD BALANCING =============== 14021.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14021.9 PRESSURE: 4668400 -315.516 40.3016 -70.0242 40.3024 -234.773 -92.4585 -70.0244 -92.4583 15.6803 GPRESSURE: 4668400 -258.798 -14.077 27.5927 80.1889 -176.55 -44.5438 -27.5794 -35.5206 -4.14684 PRESSAVG: 4668400 -14.2041 -13.5674 -7.47835 -13.5674 19.6321 -14.3523 -7.47845 -14.3523 21.5968 GPRESSAVG: 4668400 -13.4185 -11.1226 -4.59202 -13.9664 19.0509 -16.8327 -8.04883 -11.908 21.1049 TIMING: 4668400 CPU: 14018.6, 0.00302872/step Wall: 14018.6, 0.00302872/step, 0.278979 hours remaining, 208.621094 MB of memory in use. ENERGY: 4668400 758.2710 2124.1852 1934.0181 102.7560 -205557.1514 17439.5042 0.0000 0.0000 34329.2025 -148869.2144 299.8055 -183198.4169 -148772.3049 300.1369 -178.2030 -146.4985 557047.3767 9.0082 8.9124 PRESSURE: 4668600 -93.2208 -77.7025 -117.079 -77.7032 -96.0799 108.615 -117.079 108.618 -326.997 GPRESSURE: 4668600 -75.8376 86.2666 -108.866 -127.65 -77.208 155.263 -98.5659 5.17754 -271.519 PRESSAVG: 4668600 -19.0577 -24.7101 29.4514 -24.71 -21.9301 33.6522 29.4514 33.6522 4.87131 GPRESSAVG: 4668600 -19.4169 -24.6601 26.626 -24.3641 -22.1751 36.431 31.0676 31.1609 4.6399 TIMING: 4668600 CPU: 14019.2, 0.00296708/step Wall: 14019.2, 0.00296708/step, 0.273136 hours remaining, 208.824219 MB of memory in use. ENERGY: 4668600 780.8109 2111.1581 1947.0169 117.1446 -205790.6004 17571.5383 0.0000 0.0000 34295.4534 -148967.4782 299.5107 -183262.9315 -148858.8898 299.7892 -172.0993 -141.5216 557984.7625 -12.0388 -12.3174 PRESSURE: 4668800 23.2935 129.588 90.1296 129.588 -74.6473 99.7166 90.1279 99.7169 -29.0005 GPRESSURE: 4668800 74.61 150.736 47.8863 52.8088 -116.101 129.871 136.038 -39.3058 54.989 PRESSAVG: 4668800 67.3368 18.2569 35.3833 18.2568 -75.6829 31.4504 35.3831 31.4503 27.6251 GPRESSAVG: 4668800 67.4702 17.4287 35.1807 19.3146 -75.299 29.2782 35.4112 33.5285 27.2163 TIMING: 4668800 CPU: 14019.8, 0.00297968/step Wall: 14019.8, 0.00297968/step, 0.274131 hours remaining, 208.824219 MB of memory in use. ENERGY: 4668800 738.7134 2100.4338 1918.5142 106.2226 -206260.3205 17977.6042 0.0000 0.0000 34315.6599 -149103.1725 299.6872 -183418.8323 -149008.2438 300.3033 -26.7848 4.4995 558059.9261 6.4263 6.4625 PRESSURE: 4669000 -32.2487 -239.668 116.043 -239.669 18.5047 -153.579 116.043 -153.58 -303.951 GPRESSURE: 4669000 28.9833 -252.033 17.0607 -165.659 8.67103 -210.91 110.841 -110.257 -256.152 PRESSAVG: 4669000 30.3625 9.00547 3.69137 9.00543 -11.2309 -53.8228 3.69129 -53.8227 -69.4988 GPRESSAVG: 4669000 30.2116 10.8443 5.94086 7.34023 -12.0085 -53.0103 1.94379 -56.2393 -68.3464 TIMING: 4669000 CPU: 14020.4, 0.00300253/step Wall: 14020.4, 0.00300253/step, 0.276066 hours remaining, 208.824219 MB of memory in use. ENERGY: 4669000 772.6053 2066.9676 1963.7040 115.1292 -205759.8073 17635.2903 0.0000 0.0000 34274.6469 -148931.4641 299.3290 -183206.1109 -148830.9514 300.0475 -105.8983 -72.8325 558288.3492 -16.7891 -16.7144 PRESSURE: 4669200 293.101 49.2426 -209.507 49.2415 38.371 -58.1518 -209.508 -58.152 56.4568 GPRESSURE: 4669200 317.867 45.8507 -216.933 83.8015 62.8287 -48.2991 -207.741 -132.933 102.717 PRESSAVG: 4669200 -4.46104 -8.1113 -3.18502 -8.11142 38.7941 -60.4488 -3.18507 -60.4489 -51.4365 GPRESSAVG: 4669200 -4.74221 -10.6296 -6.16646 -6.24737 38.5367 -60.4041 -2.25351 -60.0098 -50.9241 TIMING: 4669200 CPU: 14021, 0.00299525/step Wall: 14021, 0.00299525/step, 0.27523 hours remaining, 208.824219 MB of memory in use. ENERGY: 4669200 744.7573 2136.9786 1946.9743 117.4696 -206127.5662 17820.6448 0.0000 0.0000 34355.4415 -149005.3001 300.0346 -183360.7417 -148907.9539 299.9358 129.3096 161.1375 555691.7063 -5.7012 -5.7099 PRESSURE: 4669400 18.1717 -213.02 -4.52186 -213.02 274.258 -176.531 -4.52186 -176.531 186.739 GPRESSURE: 4669400 65.3277 -117.546 28.2791 -277.275 279.481 -116.652 -4.81707 -245.655 233.891 PRESSAVG: 4669400 2.58854 -25.6017 13.2411 -25.6016 -18.4022 -59.8891 13.2411 -59.8891 11.2798 GPRESSAVG: 4669400 3.29355 -24.4822 15.5395 -28.2727 -18.5247 -60.1811 12.5037 -59.3107 10.5487 TIMING: 4669400 CPU: 14021.6, 0.00298702/step Wall: 14021.6, 0.00298703/step, 0.274308 hours remaining, 208.824219 MB of memory in use. ENERGY: 4669400 771.4168 2093.3896 1972.7171 109.6656 -206322.8199 17997.8911 0.0000 0.0000 34360.7362 -149017.0036 300.0809 -183377.7398 -148918.9556 300.0309 159.7229 192.9000 555955.4999 -1.5113 -1.5608 PRESSURE: 4669600 160.202 -371.721 -62.0272 -371.72 -86.8295 60.9062 -62.0256 60.9067 25.4475 GPRESSURE: 4669600 203.653 -336.182 -108.496 -300.544 -24.9597 -20.758 -90.0788 76.5058 22.1102 PRESSAVG: 4669600 28.2668 -8.78229 8.31006 -8.78239 7.82253 77.1309 8.31 77.1309 20.1519 GPRESSAVG: 4669600 26.8553 -9.13606 5.69566 -6.37591 9.3999 78.0615 9.52365 78.6432 19.8418 TIMING: 4669600 CPU: 14022.2, 0.00299439/step Wall: 14022.2, 0.00299439/step, 0.274819 hours remaining, 208.824219 MB of memory in use. ENERGY: 4669600 731.5754 2117.6971 1971.2223 123.8447 -205982.1481 17894.0689 0.0000 0.0000 34230.7841 -148912.9556 298.9460 -183143.7397 -148817.9007 299.8520 32.9401 66.9344 557536.8606 18.7471 18.6990 PRESSURE: 4669800 -41.1748 54.9459 24.8564 54.9456 122.549 141.791 24.8561 141.791 74.6078 GPRESSURE: 4669800 12.8769 39.4838 23.3266 105.743 140.696 34.7744 63.9857 195.213 88.4833 PRESSAVG: 4669800 5.14886 -32.2225 -46.8345 -32.2225 23.4522 44.403 -46.8345 44.4029 -43.2957 GPRESSAVG: 4669800 4.9287 -31.8196 -45.0092 -34.0163 23.4932 42.1094 -48.6518 43.5086 -43.2718 TIMING: 4669800 CPU: 14022.8, 0.00299808/step Wall: 14022.8, 0.00299808/step, 0.274991 hours remaining, 208.824219 MB of memory in use. ENERGY: 4669800 767.5282 2071.4788 1945.0104 113.3755 -206373.8770 18005.2323 0.0000 0.0000 34452.4287 -149018.8230 300.8816 -183471.2518 -148922.6044 300.2595 51.9940 80.6852 556300.8088 -4.8982 -4.9500 PRESSURE: 4670000 65.6697 147.026 118.5 147.025 21.3997 -23.9329 118.5 -23.9341 133.246 GPRESSURE: 4670000 121.217 35.7175 160.467 171.559 35.8131 11.8332 132.149 -33.7883 175.44 PRESSAVG: 4670000 1.13924 -3.09031 11.2061 -3.09033 33.3562 48.0158 11.2062 48.0159 2.32162 GPRESSAVG: 4670000 1.98555 -4.97712 11.4737 -1.66714 32.0367 49.368 10.473 48.3462 2.46983 TIMING: 4670000 CPU: 14023.4, 0.00298219/step Wall: 14023.4, 0.00298219/step, 0.273367 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: 4670000 791.2667 2109.0100 1958.7647 129.9851 -206333.6508 17944.1939 0.0000 0.0000 34273.6310 -149126.7995 299.3201 -183400.4305 -149033.8407 300.3886 73.4385 110.8234 557056.8525 12.2723 12.1640 PRESSURE: 4670200 -294.206 -39.6484 12.1239 -39.6487 -230.273 -121.56 12.1229 -121.561 -217.782 GPRESSURE: 4670200 -228.904 26.6945 10.4548 -81.8493 -190.749 -30.5986 119.514 -163.079 -214.287 PRESSAVG: 4670200 17.1417 30.3584 -4.52743 30.3584 28.4619 27.4447 -4.52742 27.4446 -46.8572 GPRESSAVG: 4670200 17.1769 32.5445 -6.64952 29.7064 28.3965 24.735 -0.351151 25.9294 -46.8672 TIMING: 4670200 CPU: 14024, 0.00297475/step Wall: 14024, 0.00297475/step, 0.272521 hours remaining, 208.824219 MB of memory in use. ENERGY: 4670200 791.1232 2139.6169 1920.9453 124.7426 -205933.1853 17543.2288 0.0000 0.0000 34261.8193 -149151.7092 299.2170 -183413.5285 -149053.2285 300.0989 -247.4202 -211.3134 556879.9365 -0.4179 -0.4313 PRESSURE: 4670400 -167.306 -5.59101 -131.799 -5.59041 -117.377 33.5148 -131.799 33.5173 -162.988 GPRESSURE: 4670400 -68.2093 33.2635 -61.3572 -5.46412 -47.7071 -37.4593 -111.775 67.117 -239.596 PRESSAVG: 4670400 -52.8316 -40.6449 -9.58265 -40.645 -40.4057 8.93781 -9.58269 8.93783 97.1576 GPRESSAVG: 4670400 -51.8532 -40.6722 -7.90799 -40.0455 -40.53 11.2636 -13.0636 8.95494 96.9407 TIMING: 4670400 CPU: 14024.6, 0.0030098/step Wall: 14024.6, 0.0030098/step, 0.275564 hours remaining, 208.824219 MB of memory in use. ENERGY: 4670400 760.3678 2103.5148 1936.1028 113.6206 -205719.2889 17461.8860 0.0000 0.0000 34220.0105 -149123.7864 298.8519 -183343.7968 -149033.0562 299.7567 -149.2237 -118.5042 556318.2234 1.3068 1.5192 PRESSURE: 4670600 -62.9951 79.2581 75.4636 79.2581 122.194 -55.373 75.4644 -55.3738 -241.531 GPRESSURE: 4670600 -61.8739 121.101 123.375 -27.6476 110.78 -22.3998 89.9214 -96.8666 -123.239 PRESSAVG: 4670600 31.1148 52.7994 -37.8553 52.7994 42.5569 -37.2016 -37.8553 -37.2016 -60.9935 GPRESSAVG: 4670600 30.4014 51.0201 -38.2325 52.2835 43.1252 -37.5899 -36.825 -35.4809 -60.117 TIMING: 4670600 CPU: 14025.2, 0.00301333/step Wall: 14025.2, 0.00301333/step, 0.275719 hours remaining, 208.824219 MB of memory in use. ENERGY: 4670600 726.8822 2084.9103 1918.8821 123.6050 -205933.9342 17764.8218 0.0000 0.0000 34339.0746 -148975.7583 299.8917 -183314.8329 -148867.1843 299.6472 -60.7775 -24.7778 556471.4204 4.2260 4.4698 PRESSURE: 4670800 -7.60084 -137.744 78.3399 -137.744 61.9616 95.1525 78.3393 95.1524 84.5364 GPRESSURE: 4670800 60.1829 -205.212 15.6896 -113.498 138.918 41.849 19.6549 135.322 38.6815 PRESSAVG: 4670800 48.1795 17.9888 -7.23674 17.9886 5.58057 -23.4058 -7.23674 -23.4057 -1.01522 GPRESSAVG: 4670800 47.5493 18.2443 -9.03015 18.4037 7.65791 -22.4755 -6.93217 -24.4191 -2.35833 TIMING: 4670800 CPU: 14025.8, 0.00297004/step Wall: 14025.8, 0.00297004/step, 0.271594 hours remaining, 208.824219 MB of memory in use. ENERGY: 4670800 734.5182 2129.2407 1944.4111 114.7592 -205954.7544 17772.2905 0.0000 0.0000 34334.7686 -148924.7661 299.8541 -183259.5347 -148835.4841 300.4676 46.2991 79.2607 558059.0728 17.5816 17.6163 PRESSURE: 4671000 -131.292 -37.5046 69.6273 -37.5052 -61.2368 -118.727 69.6271 -118.727 66.4683 GPRESSURE: 4671000 -95.4503 -72.0396 84.6208 11.9276 0.702272 -99.9785 151.706 -127.944 59.4057 PRESSAVG: 4671000 4.80712 -46.6925 -20.5285 -46.6926 29.8288 2.35205 -20.5285 2.35211 -27.6335 GPRESSAVG: 4671000 5.17682 -46.8765 -20.3252 -48.8138 28.0628 1.32395 -19.5403 2.695 -26.4934 TIMING: 4671000 CPU: 14026.4, 0.00297282/step Wall: 14026.4, 0.00297282/step, 0.271683 hours remaining, 208.824219 MB of memory in use. ENERGY: 4671000 727.3779 2041.8682 1945.5257 101.4621 -205548.1565 17564.7517 0.0000 0.0000 34137.4911 -149029.6798 298.1312 -183167.1710 -148934.8628 300.1054 -42.0201 -11.7808 557476.1403 2.3342 2.2487 PRESSURE: 4671200 129.728 -194.926 -89.3501 -194.925 13.1213 37.6435 -89.3502 37.644 178.671 GPRESSURE: 4671200 161.021 -225.912 -119.107 -154.991 51.1707 86.3885 -18.488 41.4553 205.983 PRESSAVG: 4671200 3.47343 19.968 36.289 19.9679 -48.6419 -6.80093 36.289 -6.8009 29.5987 GPRESSAVG: 4671200 2.93863 20.675 36.5544 21.5228 -48.024 -4.27885 36.1878 -9.07147 29.6626 TIMING: 4671200 CPU: 14027, 0.00294965/step Wall: 14027, 0.00294965/step, 0.269401 hours remaining, 208.824219 MB of memory in use. ENERGY: 4671200 747.2067 2128.9491 1926.9043 106.4650 -205964.1767 17947.8503 0.0000 0.0000 34198.4504 -148908.3508 298.6636 -183106.8012 -148813.5023 300.4186 107.1736 139.3917 556784.7374 -5.1899 -5.1409 PRESSURE: 4671400 -22.5782 53.7476 320.55 53.7486 -173.937 129.426 320.549 129.427 -206.574 GPRESSURE: 4671400 23.3625 94.9184 270.493 3.35506 -83.6863 29.3998 301.86 134.435 -242.824 PRESSAVG: 4671400 -34.8776 14.094 -25.0485 14.0939 0.856932 23.9292 -25.0486 23.9291 28.9357 GPRESSAVG: 4671400 -34.7355 14.4186 -24.5211 14.5738 0.107731 22.1434 -25.0361 26.3836 28.8199 TIMING: 4671400 CPU: 14027.6, 0.00296337/step Wall: 14027.6, 0.00296337/step, 0.27049 hours remaining, 208.824219 MB of memory in use. ENERGY: 4671400 746.4862 2083.6725 1927.0863 127.7946 -205767.4673 17483.6836 0.0000 0.0000 34454.7525 -148943.9915 300.9019 -183398.7440 -148844.6676 299.7905 -134.3632 -101.0494 557031.2724 -1.6950 -1.9360 PRESSURE: 4671600 -132.983 97.7324 -40.3306 97.7343 -412.224 119.959 -40.3308 119.96 -197.479 GPRESSURE: 4671600 -143.477 61.1325 -74.6726 151.584 -342.534 204.646 -2.9671 -14.1975 -162.847 PRESSAVG: 4671600 45.1648 66.001 -1.05785 66.001 -54.3452 -16.9935 -1.05773 -16.9935 -13.6342 GPRESSAVG: 4671600 45.2885 67.538 -1.25839 66.3453 -53.3297 -16.2594 -2.69169 -16.5659 -14.5158 TIMING: 4671600 CPU: 14028.2, 0.00301282/step Wall: 14028.2, 0.00301282/step, 0.274836 hours remaining, 208.824219 MB of memory in use. ENERGY: 4671600 730.8706 2091.1219 1956.6333 106.5223 -205586.7128 17510.8144 0.0000 0.0000 34398.1277 -148792.6226 300.4074 -183190.7503 -148690.0423 300.3548 -247.5618 -216.2861 556587.5940 -7.6049 -7.5190 PRESSURE: 4671800 -255.37 -65.6263 36.0676 -65.6262 204.13 87.7857 36.0693 87.786 -8.73781 GPRESSURE: 4671800 -274.74 -31.7595 -11.2071 -29.211 320.468 119.209 8.07873 61.6764 -17.1714 PRESSAVG: 4671800 -67.4678 20.0259 7.02079 20.0259 -16.4642 -2.83827 7.0208 -2.83831 28.3788 GPRESSAVG: 4671800 -67.3589 17.2644 7.36017 20.0442 -18.395 -2.55425 8.1308 -2.36532 29.8326 TIMING: 4671800 CPU: 14028.8, 0.0030091/step Wall: 14028.8, 0.0030091/step, 0.274329 hours remaining, 208.824219 MB of memory in use. ENERGY: 4671800 760.9186 2105.2008 1937.9701 122.5567 -205664.5180 17649.6315 0.0000 0.0000 34342.9855 -148745.2547 299.9258 -183088.2402 -148652.7944 300.4193 -19.9928 9.5189 557561.9112 -18.5177 -18.6404 PRESSURE: 4672000 -101.3 28.9912 -119.893 28.9909 -280.729 -228.044 -119.893 -228.044 30.7713 GPRESSURE: 4672000 -36.6298 158.772 -76.9184 -88.1966 -251.142 -234.664 -90.3621 -261.236 26.1798 PRESSAVG: 4672000 -70.7075 71.5534 -18.3185 71.5534 3.0155 -27.1586 -18.3184 -27.1585 60.3857 GPRESSAVG: 4672000 -71.4726 72.4353 -18.9928 71.3469 4.58387 -29.5363 -18.9903 -29.0388 60.0173 TIMING: 4672000 CPU: 14029.4, 0.00299467/step Wall: 14029.4, 0.00299467/step, 0.272848 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: 4672000 739.5919 2105.7130 1969.8910 110.8026 -205630.0341 17646.8571 0.0000 0.0000 34240.6325 -148816.5460 299.0320 -183057.1785 -148716.9251 300.1319 -117.0860 -87.1973 558154.7475 -2.4354 -2.2905 PRESSURE: 4672200 -26.457 90.64 42.5731 90.6384 -187.554 -65.5201 42.5742 -65.5216 -100.978 GPRESSURE: 4672200 -92.3333 75.1274 22.9259 -51.0566 -99.5394 -99.9072 148.202 -34.634 -36.7277 PRESSAVG: 4672200 0.442604 -19.0793 -11.8207 -19.0793 -43.5729 -39.7863 -11.8207 -39.7863 69.1669 GPRESSAVG: 4672200 1.47819 -17.6263 -13.1033 -20.8424 -43.5411 -39.6269 -10.2131 -38.2146 68.6607 TIMING: 4672200 CPU: 14030, 0.0030141/step Wall: 14030, 0.0030141/step, 0.27445 hours remaining, 208.824219 MB of memory in use. ENERGY: 4672200 741.1694 2060.8232 1938.5015 121.2141 -205504.7577 17451.4812 0.0000 0.0000 34403.9373 -148787.6310 300.4581 -183191.5683 -148685.7709 300.2446 -104.9966 -76.2001 558966.5457 8.6789 8.8659 LDB: ============= START OF LOAD BALANCING ============== 14033.5 LDB: ============== END OF LOAD BALANCING =============== 14033.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14033.5 LDB: ============= START OF LOAD BALANCING ============== 14033.8 LDB: Largest compute 4772 load 0.025967 is 22.0% of average load 0.118162 LDB: Average compute 0.001730 is 1.5% of average load 0.118162 LDB: TIME 14033.8 LOAD: AVG 0.118162 MAX 0.209047 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.008 MB LDB: TIME 14033.8 LOAD: AVG 0.118162 MAX 0.209047 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.211 MB LDB: TIME 14033.8 LOAD: AVG 0.118162 MAX 0.209047 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.211 MB LDB: ============== END OF LOAD BALANCING =============== 14033.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14033.8 PRESSURE: 4672400 -84.1854 -28.8741 -87.8931 -28.8744 93.2658 -55.5458 -87.8945 -55.5444 -59.0222 GPRESSURE: 4672400 -57.4992 33.8287 -161.868 -36.9572 99.6158 32.4442 -5.57711 -81.4265 5.49726 PRESSAVG: 4672400 82.0805 -70.7724 -32.4033 -70.7725 -27.05 -57.1451 -32.4034 -57.145 -14.3588 GPRESSAVG: 4672400 81.0996 -71.361 -31.2006 -71.6755 -27.7776 -58.2029 -34.0533 -57.7581 -12.1943 TIMING: 4672400 CPU: 14030.6, 0.00303525/step Wall: 14030.6, 0.00303525/step, 0.276208 hours remaining, 209.734375 MB of memory in use. ENERGY: 4672400 713.8148 2113.3138 1931.4578 123.0420 -205612.9899 17611.9568 0.0000 0.0000 34117.2768 -149002.1278 297.9547 -183119.4047 -148905.8815 299.5467 -16.6473 15.8713 556124.6371 13.5572 13.7092 PRESSURE: 4672600 -53.5463 139.634 167.672 139.634 -509.927 -132.906 167.673 -132.905 -164.358 GPRESSURE: 4672600 -40.6106 154.701 131.745 181.781 -489.289 -138.414 150.929 -46.9916 -92.2934 PRESSAVG: 4672600 6.40167 -13.6992 66.0104 -13.6993 -7.35538 -67.4822 66.0103 -67.4821 -10.5305 GPRESSAVG: 4672600 6.64845 -13.5462 65.7061 -12.0731 -6.11559 -64.3789 66.5594 -66.5723 -11.783 TIMING: 4672600 CPU: 14031.2, 0.00298292/step Wall: 14031.2, 0.00298292/step, 0.27128 hours remaining, 209.800781 MB of memory in use. ENERGY: 4672600 811.5449 2041.0257 1952.7435 115.9313 -206093.0079 17520.3195 0.0000 0.0000 34354.5569 -149296.8861 300.0269 -183651.4430 -149194.8295 299.4384 -242.6105 -207.3977 555499.6452 -3.8281 -3.7501 PRESSURE: 4672800 53.6447 -20.3097 -31.5048 -20.3088 77.127 33.8673 -31.5059 33.8669 109.698 GPRESSURE: 4672800 94.3913 -40.1968 -43.4622 49.7248 133.75 -42.8237 -6.29243 79.2961 115.38 PRESSAVG: 4672800 -6.82498 6.07046 36.3946 6.07051 -72.862 -40.1352 36.3947 -40.1353 54.7659 GPRESSAVG: 4672800 -6.54293 3.9759 39.6207 7.49728 -73.1471 -41.3235 35.9855 -40.398 54.6382 TIMING: 4672800 CPU: 14031.8, 0.00300715/step Wall: 14031.8, 0.00300715/step, 0.273317 hours remaining, 209.800781 MB of memory in use. ENERGY: 4672800 766.0609 2071.2188 1929.3753 113.1397 -206534.9377 18031.5235 0.0000 0.0000 34239.2458 -149384.3737 299.0198 -183623.6195 -149286.6925 298.3870 80.1566 114.5070 555842.3238 -8.3070 -8.3506 PRESSURE: 4673000 36.7572 15.3946 153.37 15.3949 -316.659 1.74653 153.369 1.74589 85.4876 GPRESSURE: 4673000 90.2488 46.2888 152.971 12.9691 -298.357 14.2096 170.739 59.7777 109.264 PRESSAVG: 4673000 -14.9696 18.8662 11.8496 18.8662 0.397757 -48.3413 11.8497 -48.3412 7.63653 GPRESSAVG: 4673000 -14.1496 20.3315 11.454 18.1155 -0.415645 -46.2793 10.689 -50.9004 6.84876 TIMING: 4673000 CPU: 14032.4, 0.00299762/step Wall: 14032.4, 0.00299762/step, 0.272284 hours remaining, 209.800781 MB of memory in use. ENERGY: 4673000 726.4632 2076.2301 1939.1334 95.1728 -206153.3126 17597.3725 0.0000 0.0000 34309.0953 -149409.8453 299.6299 -183718.9406 -149314.3497 298.7173 -64.8048 -32.9481 554797.3647 -2.3118 -2.5722 PRESSURE: 4673200 126.512 145.598 159.024 145.599 66.3042 42.3785 159.025 42.3792 -31.3648 GPRESSURE: 4673200 155.86 103.309 129.342 208.238 65.8084 1.1419 212.631 78.2948 36.7638 PRESSAVG: 4673200 -3.7059 12.6599 27.8989 12.6599 -31.1758 -54.4452 27.8989 -54.4453 74.462 GPRESSAVG: 4673200 -3.37489 9.81521 26.2263 15.0757 -31.5268 -56.9938 27.532 -53.2211 75.1239 TIMING: 4673200 CPU: 14033, 0.00299136/step Wall: 14033, 0.00299136/step, 0.271549 hours remaining, 209.800781 MB of memory in use. ENERGY: 4673200 693.9745 2030.9848 1912.6897 107.3216 -206169.1832 17674.1959 0.0000 0.0000 34154.3888 -149595.6280 298.2788 -183750.0167 -149503.4509 297.7644 53.8172 86.1440 556057.0123 13.1934 13.4074 PRESSURE: 4673400 281.741 44.1748 89.1752 44.1749 175.61 28.7483 89.1743 28.7488 214.021 GPRESSURE: 4673400 290.918 35.7002 136.798 23.6838 197.7 -79.144 47.9722 31.797 281.732 PRESSAVG: 4673400 -21.4464 0.658827 54.3361 0.658785 -31.7918 -14.4031 54.336 -14.4029 70.1845 GPRESSAVG: 4673400 -23.0679 2.92134 55.2133 -0.651747 -30.4249 -12.7611 55.0099 -14.9517 70.8086 TIMING: 4673400 CPU: 14033.6, 0.00300343/step Wall: 14033.6, 0.00300343/step, 0.272477 hours remaining, 209.800781 MB of memory in use. ENERGY: 4673400 715.8127 2035.9181 1931.9439 100.3787 -206586.7221 18063.4699 0.0000 0.0000 34011.0691 -149728.1298 297.0271 -183739.1988 -149633.3052 297.6653 223.7905 256.7831 556392.2224 5.6487 5.7719 PRESSURE: 4673600 170.475 50.3144 -75.9809 50.3153 137.52 -106.35 -75.9812 -106.351 5.51847 GPRESSURE: 4673600 243.465 -18.2829 -6.34897 -13.4236 151.079 -110.17 -128.132 -49.5834 3.9227 PRESSAVG: 4673600 2.00039 -44.4921 -18.3462 -44.492 -1.09615 -33.5133 -18.3461 -33.5133 -10.2928 GPRESSAVG: 4673600 3.21526 -45.4033 -19.0118 -44.0313 -0.968493 -36.6929 -17.6522 -31.6702 -11.9055 TIMING: 4673600 CPU: 14034.2, 0.00303018/step Wall: 14034.2, 0.00303018/step, 0.274736 hours remaining, 209.800781 MB of memory in use. ENERGY: 4673600 679.3187 2053.7631 1923.6292 114.7246 -205967.1636 17687.8465 0.0000 0.0000 34027.7046 -149480.1769 297.1724 -183507.8815 -149388.3627 297.8627 104.5044 132.8224 556046.7192 -3.1295 -3.2196 PRESSURE: 4673800 -65.7058 43.6556 33.4507 43.6551 -13.2972 132.599 33.4508 132.6 207.316 GPRESSURE: 4673800 -51.9698 -26.0555 1.43173 -8.72688 30.4149 113.986 45.5503 80.0932 247.433 PRESSAVG: 4673800 -48.2009 -31.9195 -20.9121 -31.9196 -18.5676 -9.08397 -20.9119 -9.08412 42.6895 GPRESSAVG: 4673800 -47.8413 -31.1793 -22.4595 -32.7959 -20.0165 -6.91882 -20.9455 -10.5534 44.6791 TIMING: 4673800 CPU: 14034.8, 0.00303973/step Wall: 14034.8, 0.00303973/step, 0.275433 hours remaining, 209.800781 MB of memory in use. ENERGY: 4673800 742.0958 2019.2232 1921.6990 108.5946 -206274.2655 17912.4879 0.0000 0.0000 34091.9719 -149478.1931 297.7337 -183570.1650 -149383.3186 298.5916 42.7710 75.2926 556061.0354 -8.0263 -7.7262 PRESSURE: 4674000 -201.672 96.8473 -53.7708 96.8468 -305.754 -237.512 -53.7716 -237.513 29.9949 GPRESSURE: 4674000 -211.75 114.61 -9.77754 -11.6507 -226.787 -189.269 -54.5982 -286.865 39.5747 PRESSAVG: 4674000 14.8023 -53.1467 10.249 -53.1467 -8.21935 -20.4887 10.249 -20.4886 18.4243 GPRESSAVG: 4674000 13.9075 -53.5498 11.4654 -53.0989 -7.67293 -19.8648 10.3853 -20.5535 19.0672 TIMING: 4674000 CPU: 14035.4, 0.00301857/step Wall: 14035.4, 0.00301857/step, 0.273349 hours remaining, 209.800781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4674000 714.4978 2060.7980 1954.4452 105.5859 -205977.5621 17542.2986 0.0000 0.0000 34197.9004 -149402.0362 298.6588 -183599.9366 -149304.9413 298.7168 -159.1437 -132.9874 557450.4432 8.3358 8.4339 PRESSURE: 4674200 -177.255 -31.9967 -16.1179 -31.9967 -104.989 -77.1138 -16.1172 -77.1154 -172.777 GPRESSURE: 4674200 -183.703 -102.98 52.5965 10.0113 -9.30006 -51.3489 -9.24783 -99.5968 -155.869 PRESSAVG: 4674200 45.0731 -35.1296 6.72107 -35.1295 -7.51489 8.61668 6.72111 8.61653 11.2257 GPRESSAVG: 4674200 45.089 -35.2772 5.59563 -35.0706 -6.40107 7.90797 5.21819 8.75568 9.98948 TIMING: 4674200 CPU: 14036, 0.00300857/step Wall: 14036, 0.00300857/step, 0.272276 hours remaining, 209.800781 MB of memory in use. ENERGY: 4674200 758.6005 2065.2298 1910.6006 121.2972 -205845.5244 17653.3408 0.0000 0.0000 33951.7242 -149384.7314 296.5089 -183336.4556 -149294.5110 298.9261 -151.6734 -116.2907 558180.7496 16.2613 16.2258 PRESSURE: 4674400 165.426 265.396 -91.0391 265.395 85.4889 -62.794 -91.0396 -62.7936 272.566 GPRESSURE: 4674400 198.211 283.212 -97.903 254.733 81.7766 -62.7208 -65.3375 -41.017 334.886 PRESSAVG: 4674400 11.8544 -14.7456 -32.1536 -14.7455 -67.2989 13.8989 -32.1536 13.899 47.9911 GPRESSAVG: 4674400 12.0468 -12.1917 -32.0298 -15.307 -67.552 15.9215 -30.8675 14.5152 47.497 TIMING: 4674400 CPU: 14036.6, 0.00302914/step Wall: 14036.6, 0.00302914/step, 0.273969 hours remaining, 209.800781 MB of memory in use. ENERGY: 4674400 727.0682 2088.4560 1924.1611 97.0659 -206569.9178 18079.5823 0.0000 0.0000 34334.3406 -149319.2438 299.8503 -183653.5844 -149221.6988 298.5186 174.4938 204.9577 556548.3464 -2.4845 -2.6694 PRESSURE: 4674600 -72.855 12.5118 -42.5403 12.5134 249.169 -72.493 -42.5391 -72.4931 5.29747 GPRESSURE: 4674600 -54.4872 53.3472 -46.1582 9.94163 259.769 -174.882 -50.2051 31.921 81.3979 PRESSAVG: 4674600 -40.8463 41.8145 -41.4423 41.8145 14.8989 -31.957 -41.4424 -31.9571 -17.8193 GPRESSAVG: 4674600 -40.093 41.5773 -42.2156 42.2542 14.8967 -34.9054 -40.7259 -32.1872 -18.5799 TIMING: 4674600 CPU: 14037.2, 0.00301014/step Wall: 14037.2, 0.00301014/step, 0.272083 hours remaining, 209.800781 MB of memory in use. ENERGY: 4674600 744.2612 2044.8213 1960.7816 102.6682 -206312.2830 17908.8346 0.0000 0.0000 34221.5405 -149329.3756 298.8652 -183550.9161 -149233.6728 299.1181 60.5373 95.5598 556044.2904 -14.5889 -14.5921 PRESSURE: 4674800 -48.4216 111.059 -211.287 111.059 -21.0161 -72.4104 -211.285 -72.4097 216.273 GPRESSURE: 4674800 -30.9963 70.834 -138.043 132.155 -20.6991 -99.4973 -221.911 -75.9726 293.841 PRESSAVG: 4674800 -27.4173 40.4753 -23.8618 40.4752 37.6292 6.63922 -23.8618 6.63934 18.6333 GPRESSAVG: 4674800 -27.5313 41.278 -21.9493 39.2025 36.6167 8.27137 -25.1365 6.02791 19.8172 TIMING: 4674800 CPU: 14037.8, 0.00301345/step Wall: 14037.8, 0.00301345/step, 0.272215 hours remaining, 209.800781 MB of memory in use. ENERGY: 4674800 764.0256 2117.0759 1926.4238 98.9768 -206146.0948 17937.7972 0.0000 0.0000 34275.1592 -149026.6363 299.3335 -183301.7955 -148927.6647 299.7661 48.9450 80.7152 557263.0422 9.6151 9.6342 PRESSURE: 4675000 86.6576 -24.1779 53.7095 -24.1789 -74.5319 129.475 53.71 129.475 62.8017 GPRESSURE: 4675000 105.021 -9.52462 132.449 -37.476 -50.7133 100.007 -75.2528 99.5684 126.839 PRESSAVG: 4675000 -1.07062 -18.0375 -18.6251 -18.0375 -28.2684 7.16027 -18.6249 7.16034 6.59794 GPRESSAVG: 4675000 -1.72761 -18.3834 -18.2952 -18.9569 -28.0062 7.7655 -18.2633 6.5656 6.65652 TIMING: 4675000 CPU: 14038.4, 0.0030326/step Wall: 14038.4, 0.0030326/step, 0.273776 hours remaining, 209.800781 MB of memory in use. ENERGY: 4675000 738.9966 2101.2545 1959.2394 116.6051 -206319.9155 17985.5834 0.0000 0.0000 34317.2302 -149101.0063 299.7009 -183418.2365 -149008.1669 299.5069 24.9758 60.3822 557438.3397 -7.5804 -7.6924 PRESSURE: 4675200 -90.9521 -75.914 30.0159 -75.9136 -5.57977 -60.1603 30.0168 -60.1609 212.792 GPRESSURE: 4675200 -75.0632 -22.4189 9.50419 -155.959 70.6151 -6.4821 26.1038 22.9804 219.152 PRESSAVG: 4675200 -29.3519 -40.0377 0.108731 -40.0377 32.5462 8.90253 0.108721 8.90248 -34.0357 GPRESSAVG: 4675200 -30.1783 -41.8369 -1.40017 -38.1038 32.1758 8.22709 0.115714 9.14047 -32.8648 TIMING: 4675200 CPU: 14039, 0.00300406/step Wall: 14039, 0.00300406/step, 0.271033 hours remaining, 209.800781 MB of memory in use. ENERGY: 4675200 699.9958 2099.4582 1943.9962 117.9514 -206047.1858 17809.2076 0.0000 0.0000 34351.8883 -149024.6884 300.0036 -183376.5767 -148927.5896 299.8053 38.7535 71.5678 557711.8329 -10.2805 -10.2891 PRESSURE: 4675400 -73.2529 -95.1198 -95.932 -95.1196 -174.015 -41.6411 -95.932 -41.6425 -0.21142 GPRESSURE: 4675400 -13.6348 -46.1363 -173.295 -122.871 -126.223 -13.1419 -72.1589 -45.7367 -5.28219 PRESSAVG: 4675400 -14.0855 39.2371 -3.16493 39.2372 -36.7455 4.8715 -3.16504 4.8715 69.7682 GPRESSAVG: 4675400 -13.7728 37.8171 -2.74425 40.8275 -35.9439 2.91263 -3.09543 7.0825 68.4562 TIMING: 4675400 CPU: 14039.6, 0.00297358/step Wall: 14039.6, 0.00297358/step, 0.268118 hours remaining, 209.800781 MB of memory in use. ENERGY: 4675400 746.8214 2095.6534 1953.8547 112.9540 -206095.9267 17767.1627 0.0000 0.0000 34454.3535 -148965.1271 300.8984 -183419.4806 -148869.9658 299.9259 -82.4931 -48.3800 557025.3728 6.3124 6.2465 PRESSURE: 4675600 -272.16 52.4708 51.6561 52.4729 -106.012 30.3382 51.6557 30.3378 -247.147 GPRESSURE: 4675600 -208.656 -19.7578 92.5819 15.6591 -113.891 27.1355 124.522 46.3738 -198.032 PRESSAVG: 4675600 0.684153 -0.737662 -4.58555 -0.737719 8.22767 -37.2772 -4.58553 -37.2771 36.9295 GPRESSAVG: 4675600 1.48497 2.39072 -4.77158 -0.913122 8.22971 -36.554 -4.04899 -37.6904 36.095 TIMING: 4675600 CPU: 14040.2, 0.00295265/step Wall: 14040.2, 0.00295265/step, 0.266067 hours remaining, 209.800781 MB of memory in use. ENERGY: 4675600 747.8326 2088.6217 1930.4920 115.4665 -205799.0244 17464.2590 0.0000 0.0000 34285.5524 -149166.8002 299.4243 -183452.3526 -149073.1911 300.0731 -208.4397 -173.5262 556947.6582 15.2804 15.2699 PRESSURE: 4675800 299.417 -122.01 -102.472 -122.011 189.645 148.182 -102.474 148.183 22.3544 GPRESSURE: 4675800 312.725 -123.516 -97.976 -56.8527 206.219 208.032 -83.1541 98.2583 101.57 PRESSAVG: 4675800 -57.0839 -15.0842 -10.6065 -15.0842 62.4217 1.73635 -10.6066 1.73646 0.839014 GPRESSAVG: 4675800 -57.3241 -16.8445 -9.43718 -14.5902 62.152 4.25975 -13.3081 -0.180438 1.57578 TIMING: 4675800 CPU: 14040.8, 0.00297903/step Wall: 14040.8, 0.00297903/step, 0.268279 hours remaining, 209.800781 MB of memory in use. ENERGY: 4675800 713.8755 2165.1739 1967.0080 114.9909 -206413.6224 18016.3061 0.0000 0.0000 34209.5268 -149226.7413 298.7603 -183436.2681 -149139.3306 299.8858 170.4723 206.8377 556399.0272 2.0589 2.1346 PRESSURE: 4676000 68.5843 175.703 -10.943 175.703 66.2411 -57.8999 -10.943 -57.8977 -66.5006 GPRESSURE: 4676000 123.179 76.5469 -6.13437 231.465 77.2842 -49.6712 -56.8622 -131.01 -26.1145 PRESSAVG: 4676000 -29.6811 24.1874 -27.2388 24.1874 62.8193 26.9355 -27.2388 26.9354 -5.62558 GPRESSAVG: 4676000 -28.778 24.6953 -30.0393 22.7783 61.5029 26.5006 -25.131 26.3785 -5.27001 TIMING: 4676000 CPU: 14041.4, 0.00298609/step Wall: 14041.4, 0.00298609/step, 0.268748 hours remaining, 209.800781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4676000 735.3346 2138.3707 1921.1346 109.3888 -206124.4313 17859.9780 0.0000 0.0000 34209.3670 -149150.8574 298.7589 -183360.2244 -149056.0315 299.5831 22.7750 58.1161 557742.6564 9.1709 9.1516 PRESSURE: 4676200 231.18 -55.5553 61.4515 -55.5551 40.5824 -84.6738 61.4513 -84.6706 233.475 GPRESSURE: 4676200 273.543 -61.5486 42.3893 -68.2852 65.1769 -61.9967 92.2224 -85.6771 266.411 PRESSAVG: 4676200 20.4384 -22.3189 47.2226 -22.3189 9.87958 -59.6007 47.2226 -59.6008 11.8108 GPRESSAVG: 4676200 20.4999 -23.5763 48.5486 -22.2362 10.1683 -60.9002 46.8542 -56.125 11.6121 TIMING: 4676200 CPU: 14042, 0.00296137/step Wall: 14042, 0.00296137/step, 0.266359 hours remaining, 209.800781 MB of memory in use. ENERGY: 4676200 717.4632 2098.6712 1913.8327 108.2564 -206316.0800 17932.8200 0.0000 0.0000 34440.3762 -149104.6603 300.7764 -183545.0365 -149005.8708 299.7025 168.4125 201.7104 557696.9759 14.0430 14.0934 LDB: ============= START OF LOAD BALANCING ============== 14045.5 LDB: ============== END OF LOAD BALANCING =============== 14045.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14045.5 LDB: ============= START OF LOAD BALANCING ============== 14045.8 LDB: Largest compute 4773 load 0.029049 is 24.6% of average load 0.118205 LDB: Average compute 0.001733 is 1.5% of average load 0.118205 LDB: TIME 14045.8 LOAD: AVG 0.118205 MAX 0.21045 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.93 MB LDB: TIME 14045.8 LOAD: AVG 0.118205 MAX 0.21045 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.035 MB LDB: TIME 14045.8 LOAD: AVG 0.118205 MAX 0.21045 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.035 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14045.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14045.8 PRESSURE: 4676400 261.471 -101.651 -141.956 -101.651 -115.307 -174.058 -141.957 -174.058 -36.2498 GPRESSURE: 4676400 288.863 -104.576 -157.621 -12.0295 -94.9061 -264.723 -174.804 -57.5206 4.97683 PRESSAVG: 4676400 63.571 -23.2487 17.0531 -23.2488 -43.2881 -42.9801 17.0533 -42.9801 -37.52 GPRESSAVG: 4676400 62.1599 -22.9856 18.7704 -21.9273 -43.0891 -42.4552 16.3401 -44.8012 -36.8051 TIMING: 4676400 CPU: 14042.6, 0.0030441/step Wall: 14042.6, 0.0030441/step, 0.27363 hours remaining, 209.035156 MB of memory in use. ENERGY: 4676400 764.2187 2097.7295 1947.0122 113.9902 -206071.0953 17844.9585 0.0000 0.0000 34351.3182 -148951.8680 299.9986 -183303.1862 -148854.7593 300.4926 36.6382 66.3114 558969.1468 -5.7457 -5.9114 PRESSURE: 4676600 -21.3154 -55.9968 -142.689 -55.9985 72.2427 -35.1021 -142.689 -35.1033 87.1322 GPRESSURE: 4676600 -2.35183 -41.8437 -103.291 -22.5596 126.753 9.6499 -164.908 -61.4341 106.242 PRESSAVG: 4676600 0.0910377 -12.231 -8.64357 -12.231 -1.6207 -15.794 -8.64355 -15.794 -21.9392 GPRESSAVG: 4676600 1.24761 -12.3353 -8.48793 -14.3079 -1.84905 -16.3236 -7.67413 -13.9314 -23.2002 TIMING: 4676600 CPU: 14043.2, 0.00298259/step Wall: 14043.2, 0.00298259/step, 0.267936 hours remaining, 209.238281 MB of memory in use. ENERGY: 4676600 739.2543 2108.9270 1977.3689 111.8089 -206103.9284 17870.7082 0.0000 0.0000 34263.8820 -149031.9792 299.2350 -183295.8611 -148945.6712 299.7699 46.0198 76.8808 559845.3338 -7.8230 -7.9339 PRESSURE: 4676800 -61.1912 81.9444 -173.689 81.9427 176.247 -40.0342 -173.689 -40.0338 78.5413 GPRESSURE: 4676800 -30.3297 241.607 -219.551 8.15002 193.417 -42.5759 -140.892 -41.5532 124.569 PRESSAVG: 4676800 9.39031 14.9472 -7.37578 14.9472 13.0846 10.2527 -7.37581 10.2527 2.2418 GPRESSAVG: 4676800 7.56149 15.9046 -8.05621 16.3608 14.0034 10.2046 -8.35011 10.5333 3.17882 TIMING: 4676800 CPU: 14043.8, 0.00300981/step Wall: 14043.8, 0.00300981/step, 0.270214 hours remaining, 209.238281 MB of memory in use. ENERGY: 4676800 737.2841 2072.1035 1937.8435 101.1588 -205914.7858 17924.7422 0.0000 0.0000 34066.6865 -149074.9672 297.5128 -183141.6537 -148971.8135 299.4409 64.5322 95.8855 559028.7548 8.2389 8.2479 PRESSURE: 4677000 -121.171 -85.9816 -12.065 -85.982 219.596 -213.411 -12.0651 -213.41 126.758 GPRESSURE: 4677000 -46.3466 -32.7419 33.3615 -43.7564 230.05 -169.464 -103.31 -153.801 148.758 PRESSAVG: 4677000 23.4249 1.37138 -11.0592 1.37142 31.8722 -3.89223 -11.0591 -3.89223 -30.3752 GPRESSAVG: 4677000 24.9164 0.527208 -12.2443 1.8545 31.1258 -2.47046 -9.02582 -5.64312 -31.3917 TIMING: 4677000 CPU: 14044.4, 0.00303635/step Wall: 14044.4, 0.00303635/step, 0.272428 hours remaining, 209.238281 MB of memory in use. ENERGY: 4677000 728.6057 2087.0461 1905.5388 102.8637 -206142.2782 17957.8202 0.0000 0.0000 34293.4865 -149066.9172 299.4935 -183360.4037 -148974.9384 299.6910 75.0609 110.8207 557483.9015 8.3073 8.2168 PRESSURE: 4677200 -26.907 130.068 58.6546 130.066 145.477 -120.775 58.6549 -120.776 -217.487 GPRESSURE: 4677200 6.30775 167.178 119.285 84.5773 194.939 -134.558 37.6078 -149.535 -207.768 PRESSAVG: 4677200 62.6311 -14.704 25.3992 -14.704 27.369 -4.08243 25.3991 -4.08239 -58.9707 GPRESSAVG: 4677200 61.5162 -12.1413 27.4872 -15.231 26.806 -4.70541 23.2842 -4.7115 -57.1381 TIMING: 4677200 CPU: 14045, 0.00302547/step Wall: 14045, 0.00302547/step, 0.271284 hours remaining, 209.238281 MB of memory in use. ENERGY: 4677200 757.6983 2093.2508 1955.6548 116.6634 -206239.0087 17808.5726 0.0000 0.0000 34381.6530 -149125.5158 300.2635 -183507.1689 -149031.2767 299.8346 -32.9722 -2.1737 556755.1006 10.3431 10.3947 PRESSURE: 4677400 165.319 -83.7074 132.019 -83.7064 -31.3367 -116.149 132.02 -116.149 81.5207 GPRESSURE: 4677400 252.292 -77.874 114.356 -13.7303 11.9752 -111.443 57.6472 -82.7316 58.187 PRESSAVG: 4677400 8.96433 7.81167 15.8377 7.81171 -50.7865 -37.8117 15.8376 -37.8118 -1.7488 GPRESSAVG: 4677400 10.5763 7.71848 14.2587 7.46377 -51.5536 -37.2743 17.8981 -38.1227 -1.76097 TIMING: 4677400 CPU: 14045.6, 0.00298792/step Wall: 14045.6, 0.00298792/step, 0.267751 hours remaining, 209.238281 MB of memory in use. ENERGY: 4677400 763.0804 2116.8735 1959.9551 104.0229 -206253.2153 17940.3914 0.0000 0.0000 34311.2877 -149057.6043 299.6490 -183368.8920 -148966.6434 300.2848 71.8345 107.4847 557066.0896 -14.5236 -14.2461 PRESSURE: 4677600 -161.217 13.3128 -27.5313 13.3123 25.687 12.693 -27.5325 12.6935 44.9655 GPRESSURE: 4677600 -130.92 5.29344 3.46927 20.2386 104.675 -6.56471 -36.8639 81.1438 33.5665 PRESSAVG: 4677600 -16.5483 -38.7169 -30.4911 -38.7168 40.1912 -3.5096 -30.4911 -3.50952 21.4011 GPRESSAVG: 4677600 -15.8693 -39.5718 -29.4919 -39.0727 41.4961 -3.72578 -30.6632 -3.80431 20.0698 TIMING: 4677600 CPU: 14046.2, 0.00299528/step Wall: 14046.2, 0.00299528/step, 0.268244 hours remaining, 209.238281 MB of memory in use. ENERGY: 4677600 749.2320 2086.7863 1951.6031 113.9272 -205819.3404 17736.8022 0.0000 0.0000 34324.7375 -148856.2521 299.7665 -183180.9895 -148762.4677 300.1668 -30.1882 2.4404 558129.6589 15.0147 15.2322 PRESSURE: 4677800 -203.094 93.2484 -6.99111 93.25 -171.157 67.3562 -6.99054 67.3554 -236.874 GPRESSURE: 4677800 -171.771 4.72927 -36.4051 128.101 -106.84 107.585 -21.3614 18.2766 -231.508 PRESSAVG: 4677800 19.7944 -5.55148 8.82774 -5.55144 15.0574 -4.41293 8.82777 -4.41284 -36.2802 GPRESSAVG: 4677800 19.1739 -5.6781 9.44609 -4.93365 15.2946 -4.79997 5.41298 -3.45995 -35.7928 TIMING: 4677800 CPU: 14046.8, 0.00301217/step Wall: 14046.8, 0.00301217/step, 0.269589 hours remaining, 209.238281 MB of memory in use. ENERGY: 4677800 788.5186 2094.6327 1962.7069 104.3860 -205624.7424 17453.1539 0.0000 0.0000 34249.1985 -148972.1458 299.1068 -183221.3443 -148874.1272 299.7082 -203.7087 -170.0395 557129.2203 -0.4762 -0.4414 PRESSURE: 4678000 -145.694 -75.2271 -26.1824 -75.2261 -198.779 -18.6458 -26.1823 -18.6467 -78.6339 GPRESSURE: 4678000 -102.092 -92.8776 -18.6064 -95.3011 -192.292 -4.97672 -33.7361 -131.861 -31.5042 PRESSAVG: 4678000 63.7292 -6.61783 -12.1325 -6.61785 -54.5313 0.422036 -12.1325 0.422116 6.82553 GPRESSAVG: 4678000 62.5843 -8.23952 -11.5751 -5.1735 -54.3662 1.03608 -9.81565 -1.07002 7.83802 TIMING: 4678000 CPU: 14047.4, 0.00298424/step Wall: 14047.4, 0.00298424/step, 0.266923 hours remaining, 209.238281 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: 4678000 736.0021 2122.9555 1940.1152 114.3982 -205709.5383 17505.8340 0.0000 0.0000 34316.1407 -148974.0926 299.6914 -183290.2333 -148865.1852 300.5608 -141.0354 -108.6294 556924.5618 5.3412 5.3520 PRESSURE: 4678200 74.1974 -22.3933 47.7706 -22.3935 -21.8673 77.6882 47.7702 77.6876 -200.913 GPRESSURE: 4678200 132.405 9.71952 -17.0009 12.9503 5.67563 105.981 45.5231 56.335 -174.379 PRESSAVG: 4678200 38.8959 -46.9768 16.7557 -46.9767 -62.0679 0.568068 16.7557 0.567985 16.6589 GPRESSAVG: 4678200 39.7327 -44.7936 16.6806 -48.5714 -62.8035 -0.0287022 15.1566 3.27441 16.8629 TIMING: 4678200 CPU: 14048, 0.00297642/step Wall: 14048, 0.00297642/step, 0.266059 hours remaining, 209.238281 MB of memory in use. ENERGY: 4678200 764.6045 2133.1700 1916.9587 108.9345 -205659.5295 17447.3128 0.0000 0.0000 34314.7844 -148973.7646 299.6795 -183288.5490 -148884.3313 300.1575 -49.5275 -12.0995 556924.4813 -2.1710 -2.0693 PRESSURE: 4678400 172.996 -208.658 48.6018 -208.656 303.509 -15.6626 48.6033 -15.6632 -38.3344 GPRESSURE: 4678400 152.861 -137.099 24.2986 -212.885 328.545 86.6804 199.881 -92.5208 45.4869 PRESSAVG: 4678400 -11.6234 22.5216 1.51184 22.5216 -32.748 4.40984 1.51186 4.40996 12.4557 GPRESSAVG: 4678400 -11.6706 22.9685 0.392774 23.666 -31.5172 4.39812 2.31253 6.24622 11.0511 TIMING: 4678400 CPU: 14048.6, 0.00297837/step Wall: 14048.6, 0.00297837/step, 0.266067 hours remaining, 209.238281 MB of memory in use. ENERGY: 4678400 780.0931 2030.5162 1947.1671 100.1014 -206657.4302 18097.4159 0.0000 0.0000 34494.0213 -149208.1153 301.2449 -183702.1366 -149112.2906 300.2520 146.0569 175.6310 556488.8220 -10.6385 -10.7122 PRESSURE: 4678600 173.359 198.592 -74.877 198.593 -212.769 -84.3521 -74.8774 -84.351 7.79098 GPRESSURE: 4678600 215.192 197.947 -35.7546 155.442 -159.313 -139.12 22.3503 -84.5676 5.50206 PRESSAVG: 4678600 21.1554 -38.369 -20.0985 -38.369 29.8609 -1.85608 -20.0986 -1.8561 -17.6878 GPRESSAVG: 4678600 20.9927 -39.3565 -20.0542 -38.6625 29.1828 -3.22152 -18.0482 -5.72407 -17.1853 TIMING: 4678600 CPU: 14049.2, 0.00296722/step Wall: 14049.2, 0.00296722/step, 0.264907 hours remaining, 209.238281 MB of memory in use. ENERGY: 4678600 773.7777 2039.0255 1940.2539 125.9121 -206054.8381 17850.8561 0.0000 0.0000 34094.3044 -149230.7084 297.7540 -183325.0128 -149134.7228 300.0979 -10.5399 20.4602 558934.1143 11.1095 10.9967 PRESSURE: 4678800 4.0222 -52.317 140.922 -52.317 -75.9686 -9.27856 140.921 -9.2804 23.9659 GPRESSURE: 4678800 35.8671 12.0349 132.125 -76.6131 -80.8986 -23.7871 87.6517 69.0338 85.9442 PRESSAVG: 4678800 -56.7837 -31.8866 82.4856 -31.8866 3.39664 -36.001 82.4856 -36.001 16.3641 GPRESSAVG: 4678800 -57.2455 -30.824 80.8515 -31.3562 2.74269 -37.2721 83.8785 -34.3461 17.167 TIMING: 4678800 CPU: 14049.8, 0.00297627/step Wall: 14049.8, 0.00297627/step, 0.265549 hours remaining, 209.238281 MB of memory in use. ENERGY: 4678800 779.1968 2044.6577 1959.5041 109.8999 -206159.7268 17890.8062 0.0000 0.0000 34100.7354 -149274.9267 297.8102 -183375.6621 -149177.6800 299.9192 -15.9935 13.6375 557850.4429 -12.3410 -12.4453 PRESSURE: 4679000 -281.342 -52.5622 -27.0466 -52.5644 23.1035 -114.454 -27.0457 -114.455 13.2308 GPRESSURE: 4679000 -253.358 -26.4735 65.0183 -80.9666 28.6735 -117.508 -4.21718 -142.161 82.0109 PRESSAVG: 4679000 5.00476 -13.4257 -9.2107 -13.4257 23.2725 -34.3329 -9.21059 -34.3331 -44.9288 GPRESSAVG: 4679000 5.62724 -15.4764 -8.75658 -14.6266 22.8094 -32.221 -10.7826 -35.0255 -46.1224 TIMING: 4679000 CPU: 14050.4, 0.00301373/step Wall: 14050.4, 0.00301373/step, 0.268724 hours remaining, 209.238281 MB of memory in use. ENERGY: 4679000 751.5138 2069.1973 1919.5969 119.5210 -205989.4775 17751.8595 0.0000 0.0000 34093.5299 -149284.2590 297.7473 -183377.7889 -149185.1574 298.8928 -81.6691 -47.5578 558353.6099 -5.5505 -5.8953 PRESSURE: 4679200 -57.6746 65.3004 -64.9325 65.3007 -139.158 -59.1838 -64.9318 -59.1838 205.522 GPRESSURE: 4679200 -42.4749 79.2174 -49.7597 71.5066 -92.2231 -27.6935 21.8532 -36.7699 235.884 PRESSAVG: 4679200 -95.4284 -36.0221 46.4019 -36.0221 13.5928 8.91336 46.4021 8.91321 49.3166 GPRESSAVG: 4679200 -95.624 -33.781 46.2639 -35.1988 13.5333 10.0174 47.0075 8.61188 49.2555 TIMING: 4679200 CPU: 14051, 0.00300763/step Wall: 14051, 0.00300763/step, 0.268013 hours remaining, 209.238281 MB of memory in use. ENERGY: 4679200 688.6805 2065.7475 1942.1682 108.0137 -205763.4821 17665.8723 0.0000 0.0000 34120.1534 -149172.8466 297.9798 -183293.0000 -149072.9341 298.7921 2.8965 33.7288 558106.7784 -10.8397 -10.9450 PRESSURE: 4679400 -154.995 -83.4182 -22.8366 -83.4192 -241.401 -59.5549 -22.8365 -59.5547 140.278 GPRESSURE: 4679400 -59.244 -69.1871 12.6972 -129.879 -199.006 19.24 45.016 -110.893 103.247 PRESSAVG: 4679400 18.239 -9.70696 62.0062 -9.70692 9.72314 -16.8528 62.0063 -16.8528 -1.58249 GPRESSAVG: 4679400 18.783 -10.7542 61.0588 -9.88239 9.00605 -17.8655 62.6652 -16.7996 -1.17981 TIMING: 4679400 CPU: 14051.6, 0.0029762/step Wall: 14051.6, 0.0029762/step, 0.265047 hours remaining, 209.238281 MB of memory in use. ENERGY: 4679400 766.3827 2009.8741 1941.5887 113.8269 -206095.9021 17763.7578 0.0000 0.0000 34405.5216 -149094.9503 300.4720 -183500.4719 -149001.0006 299.6326 -85.3728 -51.6675 557537.5687 8.7932 8.8697 PRESSURE: 4679600 233.347 29.4042 257.502 29.4052 -126.578 -39.4301 257.501 -39.4291 -153.519 GPRESSURE: 4679600 299.261 23.5164 215.16 -17.7322 -145.322 -50.6995 236.209 -2.77912 -115.103 PRESSAVG: 4679600 -23.1702 -30.4306 31.7592 -30.4306 -30.9866 -17.8345 31.7592 -17.8344 20.6341 GPRESSAVG: 4679600 -23.7847 -30.3516 30.8475 -31.324 -31.5481 -18.0215 31.4413 -16.2106 21.7605 TIMING: 4679600 CPU: 14052.2, 0.00295108/step Wall: 14052.2, 0.00295108/step, 0.262646 hours remaining, 209.238281 MB of memory in use. ENERGY: 4679600 749.3587 2062.5896 1951.1281 115.2566 -206301.6628 17838.6545 0.0000 0.0000 34307.1176 -149277.5577 299.6126 -183584.6753 -149187.2234 299.2544 -15.5834 12.9452 556572.5260 -11.1742 -11.1908 PRESSURE: 4679800 -201.813 66.8013 98.1313 66.8002 -190.296 -139.731 98.1305 -139.73 108.091 GPRESSURE: 4679800 -200.195 83.0609 164.223 12.9645 -131.936 -118.61 97.1443 -164.316 138.939 PRESSAVG: 4679800 26.9348 8.66667 66.8944 8.66663 -18.2151 -41.7356 66.8944 -41.7355 34.5022 GPRESSAVG: 4679800 24.8745 8.37214 68.8432 7.94796 -14.7337 -40.7904 67.2348 -43.4987 33.3264 TIMING: 4679800 CPU: 14052.8, 0.0029611/step Wall: 14052.8, 0.0029611/step, 0.263373 hours remaining, 209.238281 MB of memory in use. ENERGY: 4679800 781.1175 2044.4083 1952.0431 108.9005 -205932.7735 17606.7452 0.0000 0.0000 34091.0604 -149348.4985 297.7257 -183439.5589 -149253.4262 298.7718 -94.6727 -64.3972 557613.7624 14.4073 14.4891 PRESSURE: 4680000 242.495 36.0509 100.273 36.0511 246.604 9.80846 100.272 9.80751 97.3034 GPRESSURE: 4680000 264.128 31.5855 50.1613 83.5316 318.275 -23.8563 70.2278 -23.3781 108.032 PRESSAVG: 4680000 -73.3916 -11.2097 15.3871 -11.2098 11.8359 13.6538 15.3872 13.6537 49.7832 GPRESSAVG: 4680000 -71.0371 -11.6043 14.7667 -9.45719 10.0753 14.0708 16.1386 13.9855 48.7012 TIMING: 4680000 CPU: 14053.4, 0.00296306/step Wall: 14053.4, 0.00296306/step, 0.263383 hours remaining, 209.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4680000 748.5594 2065.7563 1975.7001 98.9958 -206555.0338 18099.6737 0.0000 0.0000 34198.4979 -149367.8505 298.6640 -183566.3485 -149281.9813 298.6844 195.4676 230.1447 554698.9846 -3.9242 -4.0868 PRESSURE: 4680200 -162.733 15.8038 -98.4441 15.8044 -223.65 -132.908 -98.444 -132.908 -59.2337 GPRESSURE: 4680200 -139.156 6.15946 -70.7949 14.5942 -159.145 -141.357 -111.587 -143.462 -53.3857 PRESSAVG: 4680200 47.9777 41.7434 17.7741 41.7434 6.13233 -15.2018 17.774 -15.2017 -6.19867 GPRESSAVG: 4680200 46.9582 43.8633 18.2521 42.0556 5.76624 -16.7764 15.0021 -14.4372 -4.91975 TIMING: 4680200 CPU: 14054, 0.00295149/step Wall: 14054, 0.00295149/step, 0.26219 hours remaining, 209.441406 MB of memory in use. ENERGY: 4680200 770.0750 2031.9977 1961.4918 113.3243 -206348.1926 17741.6142 0.0000 0.0000 34392.2781 -149337.4116 300.3563 -183729.6897 -149242.3208 299.0822 -148.5389 -117.2290 558262.4232 15.9704 15.9349 LDB: ============= START OF LOAD BALANCING ============== 14057.5 LDB: ============== END OF LOAD BALANCING =============== 14057.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14057.5 LDB: ============= START OF LOAD BALANCING ============== 14057.8 LDB: Largest compute 4773 load 0.028201 is 23.8% of average load 0.118307 LDB: Average compute 0.001727 is 1.5% of average load 0.118307 LDB: TIME 14057.8 LOAD: AVG 0.118307 MAX 0.211503 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.266 MB LDB: TIME 14057.8 LOAD: AVG 0.118307 MAX 0.211503 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.297 MB LDB: TIME 14057.8 LOAD: AVG 0.118307 MAX 0.211503 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.297 MB LDB: ============== END OF LOAD BALANCING =============== 14057.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14057.8 PRESSURE: 4680400 306.37 11.0854 37.7954 11.0846 -18.1617 121.702 37.7951 121.703 -186.38 GPRESSURE: 4680400 340.544 -16.5078 47.7598 29.1535 87.8845 19.8751 114.429 171.788 -239.378 PRESSAVG: 4680400 -19.3002 40.5444 -19.6408 40.5444 55.4031 -67.8614 -19.6408 -67.8615 -22.0808 GPRESSAVG: 4680400 -18.8553 39.0373 -19.5183 41.1099 55.3197 -68.1768 -16.7827 -68.1986 -22.7087 TIMING: 4680400 CPU: 14054.6, 0.00306017/step Wall: 14054.6, 0.00306017/step, 0.271675 hours remaining, 210.031250 MB of memory in use. ENERGY: 4680400 814.5949 2101.6719 1944.7310 109.9380 -206624.0258 17961.6773 0.0000 0.0000 34314.6023 -149376.8104 299.6780 -183691.4127 -149280.6373 298.8565 33.9430 63.0167 555710.5382 4.6740 4.5852 PRESSURE: 4680600 -69.995 44.7845 -46.0424 44.7848 -57.0656 134.364 -46.0416 134.362 -320.347 GPRESSURE: 4680600 -57.3231 74.3648 -19.8148 -16.7687 -36.4812 36.9517 -77.4491 199.126 -260.132 PRESSAVG: 4680600 2.95124 15.1304 -39.2115 15.1305 -36.9226 -16.7838 -39.2116 -16.7838 0.531289 GPRESSAVG: 4680600 2.10658 14.6143 -40.5433 15.4606 -37.0702 -18.7547 -39.6277 -12.8942 0.914264 TIMING: 4680600 CPU: 14055.2, 0.00299078/step Wall: 14055.2, 0.00299078/step, 0.265348 hours remaining, 210.304688 MB of memory in use. ENERGY: 4680600 753.0570 2072.0334 1972.8870 110.5832 -205850.7618 17600.7661 0.0000 0.0000 34052.8869 -149288.5481 297.3923 -183341.4350 -149195.0537 298.2377 -149.1358 -117.9787 557854.2903 -11.1467 -11.3498 PRESSURE: 4680800 134.37 173.004 -45.3166 173.004 40.2975 34.6284 -45.3163 34.6285 61.5137 GPRESSURE: 4680800 150.101 167.272 6.87381 153.449 38.6329 61.4267 -33.9842 10.6689 131.564 PRESSAVG: 4680800 52.4298 8.15144 10.8538 8.15144 35.111 -22.8127 10.8538 -22.8128 -26.9069 GPRESSAVG: 4680800 51.9875 8.41378 11.2527 6.85551 35.9958 -20.7237 11.4419 -24.999 -27.9237 TIMING: 4680800 CPU: 14055.8, 0.00300058/step Wall: 14055.8, 0.00300058/step, 0.266051 hours remaining, 210.304688 MB of memory in use. ENERGY: 4680800 718.9537 2089.7697 1927.2662 99.6491 -206299.4772 17877.2276 0.0000 0.0000 34316.1927 -149270.4183 299.6918 -183586.6110 -149177.4924 298.8348 78.7271 106.7660 556532.2832 20.2113 20.0199 PRESSURE: 4681000 -318.157 59.0336 78.1056 59.0326 214.544 21.2442 78.1058 21.2445 166.517 GPRESSURE: 4681000 -301.919 132.3 29.5991 102.078 297.928 -38.3402 54.9939 40.6497 149.109 PRESSAVG: 4681000 -28.5748 63.886 36.3275 63.8859 39.2092 -36.3631 36.3274 -36.3632 18.6534 GPRESSAVG: 4681000 -27.5074 61.6471 34.6794 65.9162 39.2903 -33.4433 37.245 -39.2446 17.367 TIMING: 4681000 CPU: 14056.4, 0.00303102/step Wall: 14056.4, 0.00303102/step, 0.268582 hours remaining, 210.304688 MB of memory in use. ENERGY: 4681000 719.4323 2071.1323 1952.5161 104.3408 -206175.6592 17814.3101 0.0000 0.0000 34135.2671 -149378.6604 298.1118 -183513.9276 -149275.3523 299.1586 20.9676 48.3726 556731.2114 9.7626 9.7166 PRESSURE: 4681200 -78.9209 -83.627 -62.0402 -83.626 -11.6066 -27.056 -62.0382 -27.054 -10.5116 GPRESSURE: 4681200 -45.8819 -132.806 -81.4223 22.4022 33.0797 -28.6542 -34.233 -51.0492 12.256 PRESSAVG: 4681200 17.9338 -9.51469 -37.4609 -9.51462 -7.91071 -30.3186 -37.4609 -30.3187 -4.49176 GPRESSAVG: 4681200 17.5789 -6.47337 -37.0058 -10.1731 -7.74317 -32.2896 -37.8975 -27.4363 -3.78296 TIMING: 4681200 CPU: 14057, 0.00296499/step Wall: 14057, 0.00296499/step, 0.262566 hours remaining, 210.304688 MB of memory in use. ENERGY: 4681200 755.2346 2055.7865 1946.0172 110.2104 -206573.6129 17730.9441 0.0000 0.0000 34281.9622 -149693.4578 299.3929 -183975.4199 -149591.3020 298.4918 -33.6797 -0.1821 556627.2570 1.8438 2.0176 PRESSURE: 4681400 -0.599051 -104.734 -174.903 -104.735 2.53276 186.511 -174.904 186.511 138.579 GPRESSURE: 4681400 -15.0095 -116.693 -251.228 -119.63 57.7814 187.481 -159.054 217.949 181.129 PRESSAVG: 4681400 52.5389 -8.27208 4.75095 -8.27208 -43.2363 -1.27629 4.75088 -1.27635 12.6623 GPRESSAVG: 4681400 52.1306 -10.2482 5.58946 -7.79299 -43.5687 0.356978 3.79041 -3.02699 13.3889 TIMING: 4681400 CPU: 14057.6, 0.00298163/step Wall: 14057.6, 0.00298163/step, 0.263874 hours remaining, 210.304688 MB of memory in use. ENERGY: 4681400 729.0193 2084.2392 1941.0389 110.3574 -206287.4472 17714.6508 0.0000 0.0000 33973.0659 -149735.0758 296.6952 -183708.1416 -149635.9308 297.8281 46.8377 74.6338 556346.0462 7.3216 7.3169 PRESSURE: 4681600 -23.1033 -211.178 135.627 -211.179 109.405 -121.439 135.627 -121.437 330.824 GPRESSURE: 4681600 42.8814 -108.776 112.956 -291.846 156.931 -234.103 131.251 -124.117 305.367 PRESSAVG: 4681600 8.60451 -48.4429 15.634 -48.4429 64.1035 24.8367 15.6341 24.8366 -30.8043 GPRESSAVG: 4681600 9.20524 -46.8655 17.2299 -50.3354 64.2168 24.4458 13.9245 27.017 -31.2145 TIMING: 4681600 CPU: 14058.2, 0.00298142/step Wall: 14058.2, 0.00298142/step, 0.26369 hours remaining, 210.304688 MB of memory in use. ENERGY: 4681600 722.3138 2145.1097 1942.6765 120.2162 -206967.7546 18041.8465 0.0000 0.0000 34309.5759 -149686.0159 299.6341 -183995.5918 -149589.4956 298.3057 139.0418 168.3931 554861.4540 13.9679 14.0692 PRESSURE: 4681800 81.5888 111.274 -16.2937 111.274 131.803 45.2777 -16.2949 45.2782 82.8306 GPRESSURE: 4681800 133.289 75.3882 10.9774 45.8245 151.888 -14.1807 55.5495 -0.409402 109.023 PRESSAVG: 4681800 17.0072 -46.4219 -2.64994 -46.422 7.89085 30.6722 -2.65002 30.6722 -2.53608 GPRESSAVG: 4681800 17.1569 -49.3029 -2.90103 -45.8334 8.50067 28.6106 -1.24772 30.9894 -3.0374 TIMING: 4681800 CPU: 14058.8, 0.00297795/step Wall: 14058.8, 0.00297795/step, 0.263218 hours remaining, 210.304688 MB of memory in use. ENERGY: 4681800 747.7692 2082.5710 1943.9239 117.1039 -206572.2402 17923.2076 0.0000 0.0000 34066.7685 -149690.8961 297.5136 -183757.6646 -149594.0315 298.4234 98.7409 131.4000 556572.9063 7.4540 7.5401 PRESSURE: 4682000 -105.869 135.201 -20.4409 135.202 39.5458 -44.2993 -20.441 -44.2998 -300.791 GPRESSURE: 4682000 -36.7153 81.6466 47.4051 132.295 112.911 -80.7876 -75.6282 -53.0904 -344.948 PRESSAVG: 4682000 23.0927 1.28454 -73.7308 1.28459 66.9848 -19.1052 -73.7308 -19.1051 -47.6014 GPRESSAVG: 4682000 24.0541 3.069 -74.5508 1.06535 66.2224 -16.2791 -74.3157 -21.668 -47.5602 TIMING: 4682000 CPU: 14059.4, 0.00301157/step Wall: 14059.4, 0.00301157/step, 0.266022 hours remaining, 210.304688 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: 4682000 706.8931 2112.6206 1953.2951 119.0593 -206670.9705 17845.0598 0.0000 0.0000 34132.9807 -149801.0619 298.0918 -183934.0426 -149699.8122 298.1763 -122.3715 -89.5843 557219.4964 14.1587 14.2387 PRESSURE: 4682200 7.42256 25.4191 -54.5482 25.4186 -152.914 -92.1545 -54.549 -92.154 -253.052 GPRESSURE: 4682200 -1.67304 10.549 -13.1497 72.4723 -115.66 -50.0233 -69.0556 -86.0121 -187.44 PRESSAVG: 4682200 38.7506 -10.5241 -46.9262 -10.5241 30.3975 -23.9349 -46.9262 -23.935 -50.4141 GPRESSAVG: 4682200 38.6637 -11.0594 -45.1106 -10.0378 29.8917 -25.504 -46.3724 -23.1091 -50.2555 TIMING: 4682200 CPU: 14060, 0.00299403/step Wall: 14060, 0.00299403/step, 0.264306 hours remaining, 210.535156 MB of memory in use. ENERGY: 4682200 756.2875 2094.7753 1955.8555 115.8979 -206588.0105 17774.0729 0.0000 0.0000 34156.5383 -149734.5832 298.2975 -183891.1215 -149637.4889 298.2936 -132.8480 -101.5911 557582.4678 6.2447 6.1000 PRESSURE: 4682400 351.873 2.75859 34.0352 2.75877 234.415 57.7799 34.0355 57.7797 153.662 GPRESSURE: 4682400 348.242 40.5942 0.147573 -13.2167 321.34 -45.6678 70.5402 36.0266 161.759 PRESSAVG: 4682400 -65.8443 27.465 -38.1522 27.465 86.3578 -1.61445 -38.1521 -1.61434 -14.7353 GPRESSAVG: 4682400 -66.8978 28.6199 -40.3259 26.6705 87.806 -1.42934 -39.3448 -0.887155 -15.2949 TIMING: 4682400 CPU: 14060.6, 0.00300677/step Wall: 14060.6, 0.00300677/step, 0.265264 hours remaining, 210.535156 MB of memory in use. ENERGY: 4682400 755.8318 2075.5858 1946.4511 106.7356 -206963.0594 18183.6262 0.0000 0.0000 34085.6210 -149809.2078 297.6782 -183894.8288 -149713.7547 298.0743 246.6496 277.1135 555321.8420 1.9261 1.8711 PRESSURE: 4682600 84.0229 -83.5532 15.8651 -83.5526 215.472 -69.3267 15.8637 -69.3254 -85.6284 GPRESSURE: 4682600 79.69 -98.8376 49.6548 -14.0919 247.853 -82.7167 -87.7666 -17.0967 -31.3114 PRESSAVG: 4682600 -61.3379 29.7324 9.81113 29.7324 51.6654 14.9407 9.81111 14.9407 -13.7711 GPRESSAVG: 4682600 -60.2884 28.2324 11.1977 30.2355 50.4185 15.3963 9.0874 13.9904 -12.5927 TIMING: 4682600 CPU: 14061.2, 0.00299674/step Wall: 14061.2, 0.00299674/step, 0.264213 hours remaining, 210.535156 MB of memory in use. ENERGY: 4682600 736.2093 2077.6323 1990.6009 121.3790 -206910.6667 18250.5683 0.0000 0.0000 33822.1774 -149912.0996 295.3775 -183734.2770 -149823.8857 296.6243 71.2890 98.7440 557055.9250 -7.8145 -7.4875 PRESSURE: 4682800 -93.6541 14.6597 -57.2254 14.6594 218.192 102.912 -57.2263 102.913 25.7292 GPRESSURE: 4682800 25.8731 46.5403 -67.437 10.4169 203.288 89.3255 -7.96985 12.5112 24.5101 PRESSAVG: 4682800 -13.7837 -2.21519 10.8302 -2.2153 73.679 6.79334 10.8302 6.79323 -20.8366 GPRESSAVG: 4682800 -14.2942 -0.486125 10.3388 -0.462769 73.0126 8.21245 11.1252 6.19801 -19.7954 TIMING: 4682800 CPU: 14061.8, 0.0029871/step Wall: 14061.8, 0.0029871/step, 0.263197 hours remaining, 210.535156 MB of memory in use. ENERGY: 4682800 711.2466 2123.4989 1955.8564 122.5248 -206883.2635 18134.4561 0.0000 0.0000 33916.6643 -149919.0164 296.2027 -183835.6808 -149819.3086 296.9717 50.0889 84.5571 557829.2794 13.0196 12.9743 PRESSURE: 4683000 -211.028 -87.4371 124.955 -87.4368 -182.955 -59.5522 124.956 -59.5529 -92.5173 GPRESSURE: 4683000 -210.554 -157.081 164.657 -83.3897 -70.3499 -105.368 127.267 -53.8506 -109.387 PRESSAVG: 4683000 -11.0543 -0.868564 0.866599 -0.868628 11.9343 32.3429 0.866579 32.3429 24.0963 GPRESSAVG: 4683000 -11.147 -0.247194 0.918542 -2.22101 13.1349 30.5236 0.701513 33.1017 23.1493 TIMING: 4683000 CPU: 14062.4, 0.0030158/step Wall: 14062.4, 0.0030158/step, 0.265558 hours remaining, 210.535156 MB of memory in use. ENERGY: 4683000 738.1718 2130.7407 1946.4536 119.3849 -206443.0050 17648.5811 0.0000 0.0000 33983.4638 -149876.2091 296.7860 -183859.6729 -149771.7290 296.9243 -162.1666 -130.0968 558283.7696 8.3254 8.3791 PRESSURE: 4683200 56.6972 -50.701 49.6796 -50.7019 -144.775 246.013 49.6788 246.014 -70.327 GPRESSURE: 4683200 59.7624 -82.0605 32.196 -36.3798 -84.127 324.879 -3.41682 201.531 -39.464 PRESSAVG: 4683200 15.2919 -63.5108 42.9714 -63.5108 35.6463 3.86622 42.9714 3.86619 -34.0087 GPRESSAVG: 4683200 15.6567 -64.3795 42.4131 -62.7146 34.8759 3.00202 42.7834 5.95301 -33.4494 TIMING: 4683200 CPU: 14063, 0.00299577/step Wall: 14063, 0.00299577/step, 0.263628 hours remaining, 210.535156 MB of memory in use. ENERGY: 4683200 768.3001 2084.2629 1939.1130 110.0337 -206815.0040 18021.4328 0.0000 0.0000 34140.6180 -149751.2435 298.1585 -183891.8615 -149653.7519 297.4494 -52.8015 -21.2762 557194.9421 5.6432 5.6944 PRESSURE: 4683400 -321.995 -50.6652 40.1154 -50.665 -44.9604 -51.1548 40.1161 -51.157 -220.435 GPRESSURE: 4683400 -310.833 -50.9597 -7.133 -10.2627 -13.5744 5.105 67.2414 -121.917 -152.813 PRESSAVG: 4683400 6.25053 -18.2738 -5.13143 -18.2738 3.08673 30.9687 -5.13142 30.9687 -18.6095 GPRESSAVG: 4683400 6.61359 -18.3044 -4.04336 -18.6503 2.65915 31.8313 -5.55423 27.7705 -18.7656 TIMING: 4683400 CPU: 14063.6, 0.00300456/step Wall: 14063.6, 0.00300456/step, 0.264234 hours remaining, 210.535156 MB of memory in use. ENERGY: 4683400 722.1789 2058.2456 1942.3532 123.0211 -206241.2375 17571.1578 0.0000 0.0000 34188.8876 -149635.3933 298.5801 -183824.2809 -149542.0254 296.9944 -195.7968 -159.0735 557799.1267 -3.0907 -3.1643 PRESSURE: 4683600 -8.28712 196.373 -111.954 196.374 146.384 101.655 -111.954 101.654 -127.975 GPRESSURE: 4683600 9.96058 233.164 -49.95 216.475 198.727 125.196 -120.152 85.2566 -101.257 PRESSAVG: 4683600 34.2094 2.72569 18.5164 2.72568 31.5386 24.3739 18.5163 24.3739 -66.5067 GPRESSAVG: 4683600 33.8243 2.03343 16.8637 3.25403 31.7792 26.4477 20.2094 24.9275 -66.4802 TIMING: 4683600 CPU: 14064.2, 0.00300904/step Wall: 14064.2, 0.00300904/step, 0.264461 hours remaining, 210.535156 MB of memory in use. ENERGY: 4683600 736.2294 2065.7823 1950.6391 109.8170 -206789.0288 18185.4744 0.0000 0.0000 34097.6378 -149643.4488 297.7832 -183741.0866 -149550.8312 297.7140 3.3737 35.8103 556635.5535 -0.2529 -0.2922 PRESSURE: 4683800 104.019 20.5846 98.4556 20.5857 -53.7744 57.089 98.4561 57.0894 -111.395 GPRESSURE: 4683800 100.891 17.4549 6.53615 -37.841 0.430832 59.8483 87.8123 109.695 -70.5397 PRESSAVG: 4683800 6.52089 64.1863 18.637 64.1863 36.1726 25.9319 18.637 25.9319 -16.4798 GPRESSAVG: 4683800 6.86847 64.8352 19.7017 64.1878 36.3589 25.9272 18.5185 24.6755 -16.5969 TIMING: 4683800 CPU: 14064.8, 0.00298371/step Wall: 14064.8, 0.00298371/step, 0.262069 hours remaining, 210.535156 MB of memory in use. ENERGY: 4683800 719.0354 2113.8000 1965.4712 115.0471 -206154.3892 17779.6474 0.0000 0.0000 34073.0871 -149388.3010 297.5687 -183461.3881 -149294.6317 298.4131 -20.3837 10.2609 558278.8673 8.7379 8.8768 PRESSURE: 4684000 319.086 3.00344 8.02708 3.00282 -61.1207 -49.9476 8.02629 -49.946 46.756 GPRESSURE: 4684000 325.887 91.0786 0.196171 -10.2907 -1.29591 -56.718 50.3245 -41.907 79.9789 PRESSAVG: 4684000 1.72259 -23.8005 26.324 -23.8005 1.05223 -11.8429 26.324 -11.8428 34.2354 GPRESSAVG: 4684000 1.62185 -23.281 26.4589 -24.4647 0.292872 -13.4721 26.7723 -10.4442 35.0405 TIMING: 4684000 CPU: 14065.4, 0.00298965/step Wall: 14065.4, 0.00298965/step, 0.262425 hours remaining, 210.535156 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: 4684000 720.2199 2083.9722 1968.4366 104.8589 -206279.8577 17925.4179 0.0000 0.0000 34296.0559 -149180.8963 299.5160 -183476.9522 -149086.3694 299.6289 101.5737 134.8566 557027.3917 12.3368 12.3184 PRESSURE: 4684200 -49.3018 -114.718 -59.541 -114.719 -20.2001 52.6179 -59.5401 52.617 3.89883 GPRESSURE: 4684200 24.7509 -70.8365 -15.7869 -143.795 3.53102 64.3419 23.5199 122.243 -0.571133 PRESSAVG: 4684200 43.0686 -21.1377 0.43781 -21.1377 34.5356 13.0966 0.437766 13.0967 -52.2178 GPRESSAVG: 4684200 43.7407 -20.6431 1.65379 -20.9025 34.3066 11.9911 -0.621459 13.2173 -52.7648 TIMING: 4684200 CPU: 14066, 0.00299143/step Wall: 14066, 0.00299143/step, 0.262415 hours remaining, 210.535156 MB of memory in use. ENERGY: 4684200 726.1321 2035.0936 1955.2016 110.8461 -206134.1010 17837.8994 0.0000 0.0000 34388.2022 -149080.7260 300.3207 -183468.9282 -148984.6501 299.9524 -21.8677 9.2369 558903.3436 8.4621 8.4275 LDB: ============= START OF LOAD BALANCING ============== 14069.5 LDB: ============== END OF LOAD BALANCING =============== 14069.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14069.5 LDB: ============= START OF LOAD BALANCING ============== 14069.8 LDB: Largest compute 4773 load 0.028100 is 23.8% of average load 0.118242 LDB: Average compute 0.001735 is 1.5% of average load 0.118242 LDB: TIME 14069.8 LOAD: AVG 0.118242 MAX 0.209894 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.234 MB LDB: TIME 14069.8 LOAD: AVG 0.118242 MAX 0.209894 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.438 MB LDB: TIME 14069.8 LOAD: AVG 0.118242 MAX 0.209894 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.438 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14069.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14069.8 PRESSURE: 4684400 -86.5353 -119.204 153.454 -119.202 -206.075 -62.7931 153.455 -62.7936 -255.753 GPRESSURE: 4684400 -62.0754 -90.7326 136.969 -78.7819 -208.691 -62.2045 165.909 -32.8182 -177.168 PRESSAVG: 4684400 42.7721 -20.4128 -31.721 -20.4128 -77.3992 -36.7037 -31.7209 -36.7037 -29.7351 GPRESSAVG: 4684400 42.9951 -18.1482 -33.5285 -21.3374 -77.0111 -35.5075 -30.7908 -36.4819 -29.8068 TIMING: 4684400 CPU: 14066.6, 0.00304395/step Wall: 14066.6, 0.00304395/step, 0.266853 hours remaining, 209.492188 MB of memory in use. ENERGY: 4684400 737.2530 2111.4517 1934.8629 103.6464 -206203.7291 17753.7238 0.0000 0.0000 34516.7396 -149046.0517 301.4433 -183562.7914 -148949.5768 299.9516 -182.7875 -149.3114 558776.5913 -21.4541 -21.2743 PRESSURE: 4684600 -150.051 85.6172 77.4219 85.6174 -59.8306 104.392 77.4209 104.39 -33.5013 GPRESSURE: 4684600 -60.9951 96.8076 117.354 119.704 -52.3283 52.6273 -59.8478 85.823 -30.7307 PRESSAVG: 4684600 -48.607 -28.7246 13.6712 -28.7246 31.5336 36.264 13.6712 36.2639 -32.808 GPRESSAVG: 4684600 -49.3369 -32.0645 13.7741 -28.5181 31.9736 35.5961 13.948 35.1723 -32.5178 TIMING: 4684600 CPU: 14067.2, 0.00297029/step Wall: 14067.2, 0.00297029/step, 0.260231 hours remaining, 209.492188 MB of memory in use. ENERGY: 4684600 777.6319 2081.9191 1940.2404 113.8415 -206073.8356 17802.9422 0.0000 0.0000 34400.9015 -148956.3591 300.4316 -183357.2607 -148858.2074 299.9473 -81.1277 -48.0180 559390.2512 -16.6271 -16.6271 PRESSURE: 4684800 35.0931 126.966 31.0327 126.966 -98.2874 -10.6944 31.0329 -10.6953 -228.718 GPRESSURE: 4684800 89.2957 37.6507 28.841 171.754 -102.289 8.71284 -1.68464 79.8009 -175.401 PRESSAVG: 4684800 3.21233 -0.131094 20.106 -0.131062 32.3568 -33.914 20.106 -33.9141 -44.747 GPRESSAVG: 4684800 3.53222 1.63306 19.631 0.972955 32.17 -34.8937 18.219 -33.9258 -44.6537 TIMING: 4684800 CPU: 14067.8, 0.00299217/step Wall: 14067.8, 0.00299217/step, 0.261981 hours remaining, 209.492188 MB of memory in use. ENERGY: 4684800 761.3135 2053.0804 1947.0175 114.1251 -205901.0250 17770.3908 0.0000 0.0000 34246.7852 -149008.3124 299.0857 -183255.0977 -148904.1219 299.7806 -97.3041 -62.7981 559798.8477 -3.0593 -2.9838 PRESSURE: 4685000 -89.8544 15.5503 -92.2304 15.5499 -3.72193 -59.3811 -92.2317 -59.3819 -228.206 GPRESSURE: 4685000 -63.9677 -58.1272 -148.142 90.4591 26.8947 -104.523 -11.1131 8.88317 -194.368 PRESSAVG: 4685000 33.1792 5.62401 43.233 5.62407 24.5106 11.6754 43.2331 11.6754 -60.6077 GPRESSAVG: 4685000 33.4443 4.17052 43.9217 4.5865 24.0758 12.4997 44.454 11.9372 -60.5921 TIMING: 4685000 CPU: 14068.4, 0.00296519/step Wall: 14068.4, 0.00296519/step, 0.259454 hours remaining, 209.695312 MB of memory in use. ENERGY: 4685000 773.9927 2065.7934 1960.4860 106.6565 -205864.5904 17619.3213 0.0000 0.0000 34452.7398 -148885.6007 300.8843 -183338.3405 -148791.5612 300.3809 -107.2608 -77.1470 559540.6493 -0.9727 -1.0240 PRESSURE: 4685200 -171.728 71.0686 127.379 71.069 33.3086 161.091 127.378 161.089 -187.501 GPRESSURE: 4685200 -152.037 83.4402 102.211 113.17 7.73153 174.479 112.001 134.78 -79.136 PRESSAVG: 4685200 -10.6243 1.55324 77.7892 1.55333 3.27243 30.769 77.7892 30.7692 12.4846 GPRESSAVG: 4685200 -11.3462 1.18365 80.6028 3.04689 5.10257 30.5739 76.1974 30.4025 11.7359 TIMING: 4685200 CPU: 14069, 0.00298351/step Wall: 14069, 0.00298351/step, 0.260891 hours remaining, 209.695312 MB of memory in use. ENERGY: 4685200 749.7330 2040.7202 1957.1192 116.6291 -206013.7334 17705.6172 0.0000 0.0000 34399.0951 -149044.8196 300.4159 -183443.9147 -148941.7096 300.4810 -108.6402 -74.4807 558674.9477 1.7109 1.8308 PRESSURE: 4685400 -230.651 -78.1504 71.8934 -78.1496 -203.96 -76.2331 71.8927 -76.2328 -379.302 GPRESSURE: 4685400 -214.776 -22.4957 12.7799 -45.5887 -176.934 -96.561 68.515 -44.9743 -321.625 PRESSAVG: 4685400 25.0363 31.3454 -10.3432 31.3456 46.1204 -1.51722 -10.3432 -1.51707 -77.9625 GPRESSAVG: 4685400 26.1649 30.2391 -8.90341 31.719 44.5997 -1.91506 -9.89547 -1.56391 -77.3745 TIMING: 4685400 CPU: 14069.6, 0.00299683/step Wall: 14069.6, 0.00299683/step, 0.261889 hours remaining, 209.695312 MB of memory in use. ENERGY: 4685400 764.9255 2058.9516 1949.2360 126.3146 -205643.6260 17424.0674 0.0000 0.0000 34174.7251 -149145.4057 298.4564 -183320.1309 -149051.5578 300.2585 -271.3045 -237.7783 559215.5381 -2.2686 -2.2033 PRESSURE: 4685600 71.9873 77.2866 23.7123 77.286 -371.496 -7.53538 23.7134 -7.53529 -234.961 GPRESSURE: 4685600 70.1965 17.0361 55.3536 84.6671 -331.815 -27.5426 9.37753 25.2799 -173.555 PRESSAVG: 4685600 63.9075 -8.55691 -27.4433 -8.557 -63.4061 -21.0508 -27.4433 -21.0508 -9.35902 GPRESSAVG: 4685600 64.2389 -7.08557 -30.4331 -8.85879 -63.3438 -18.5382 -25.8837 -21.7633 -9.56506 TIMING: 4685600 CPU: 14070.2, 0.00300293/step Wall: 14070.2, 0.00300293/step, 0.262256 hours remaining, 209.695312 MB of memory in use. ENERGY: 4685600 799.0324 1997.3129 1957.9520 118.4686 -205842.1946 17575.0642 0.0000 0.0000 34349.4103 -149044.9541 299.9819 -183394.3645 -148951.5167 298.9661 -178.1565 -145.0576 558724.9122 -2.9525 -2.8900 PRESSURE: 4685800 75.0307 -157.097 88.5979 -157.098 -101.305 -74.2444 88.5983 -74.2445 77.3604 GPRESSURE: 4685800 34.9238 -159.911 86.4306 -112.582 -5.67157 -45.0291 51.5913 -85.7647 121.062 PRESSAVG: 4685800 -16.7165 -38.5119 60.2908 -38.5121 -36.9405 -34.7206 60.2908 -34.7207 35.094 GPRESSAVG: 4685800 -17.1108 -38.1874 62.9107 -39.3297 -36.6999 -33.9391 57.5842 -34.8027 35.7584 TIMING: 4685800 CPU: 14070.8, 0.00297974/step Wall: 14070.8, 0.00297974/step, 0.260065 hours remaining, 209.695312 MB of memory in use. ENERGY: 4685800 738.0486 2056.3463 1943.6610 110.0340 -206226.6391 17829.2969 0.0000 0.0000 34456.8523 -149092.4000 300.9203 -183549.2523 -148993.4930 300.2708 17.0286 50.1047 557502.9850 -6.1877 -6.0174 PRESSURE: 4686000 -106.893 52.0318 89.7849 52.0316 -344.721 60.8258 89.7852 60.8246 -55.1353 GPRESSURE: 4686000 -122.238 76.884 156.382 -9.34258 -249.562 81.4775 35.3675 84.6828 -33.3736 PRESSAVG: 4686000 -2.65346 -23.7544 19.311 -23.7544 -9.21287 -29.1201 19.3109 -29.1202 9.5887 GPRESSAVG: 4686000 -4.5889 -22.8873 16.6222 -23.6501 -8.08553 -31.1318 20.6315 -27.5542 10.4002 TIMING: 4686000 CPU: 14071.4, 0.00297242/step Wall: 14071.4, 0.00297242/step, 0.259261 hours remaining, 209.695312 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: 4686000 743.5628 2069.3409 1930.9394 116.6058 -205663.4756 17582.9082 0.0000 0.0000 34262.4414 -148957.6771 299.2224 -183220.1185 -148859.1713 300.1462 -168.9166 -135.0579 558811.1999 -0.7592 -0.7581 PRESSURE: 4686200 424.26 224.68 -28.1739 224.679 92.5294 -145.447 -28.174 -145.446 148.461 GPRESSURE: 4686200 429.388 124.461 -93.3423 264.633 117.747 -174.905 -61.4586 -110.34 215.371 PRESSAVG: 4686200 58.7595 35.293 14.1484 35.293 -10.4394 -21.506 14.1486 -21.506 25.4031 GPRESSAVG: 4686200 60.4151 35.1986 14.8814 34.239 -12.9036 -22.5749 14.2563 -22.086 25.8559 TIMING: 4686200 CPU: 14071.9, 0.00296291/step Wall: 14071.9, 0.00296291/step, 0.258267 hours remaining, 209.695312 MB of memory in use. ENERGY: 4686200 747.8369 2094.4765 1969.5550 114.2509 -206485.3116 18264.6760 0.0000 0.0000 34489.8949 -148804.6214 301.2088 -183294.5163 -148713.1299 300.6252 221.7501 254.1686 558022.4212 24.5744 24.4558 PRESSURE: 4686400 106.864 -68.5291 84.1601 -68.5282 -131.297 -207.368 84.1587 -207.368 106.011 GPRESSURE: 4686400 149.044 -88.3999 73.513 -103.683 -127.758 -251.146 172.879 -169.628 158.771 PRESSAVG: 4686400 29.9802 -23.4734 -3.35858 -23.4734 -3.74162 -12.2862 -3.35859 -12.2862 -11.3929 GPRESSAVG: 4686400 29.3758 -25.3033 -3.13964 -23.6865 -3.65366 -10.562 -3.52291 -11.7393 -11.7216 TIMING: 4686400 CPU: 14072.5, 0.00294417/step Wall: 14072.5, 0.00294417/step, 0.25647 hours remaining, 209.695312 MB of memory in use. ENERGY: 4686400 757.1158 2118.3701 1935.7776 106.6059 -205689.5157 17599.1119 0.0000 0.0000 34446.4387 -148726.0958 300.8293 -183172.5344 -148620.9572 300.4070 27.1924 60.0192 557822.5417 4.9486 4.6668 PRESSURE: 4686600 38.865 180.41 145.563 180.41 245.967 133.12 145.563 133.12 -153.885 GPRESSURE: 4686600 93.2387 201.22 94.5547 155.823 251.708 94.6179 114.733 235.781 -121.987 PRESSAVG: 4686600 -13.6417 -7.79092 -28.9735 -7.79101 60.1801 32.3108 -28.9734 32.3109 -44.2737 GPRESSAVG: 4686600 -13.4695 -7.043 -30.0628 -7.33595 60.8027 30.1204 -28.1686 32.7139 -45.2834 TIMING: 4686600 CPU: 14073.1, 0.00294187/step Wall: 14073.1, 0.00294187/step, 0.256106 hours remaining, 209.695312 MB of memory in use. ENERGY: 4686600 751.7489 2052.7081 1926.8037 95.1737 -206278.8366 17892.3755 0.0000 0.0000 34540.2919 -149019.7348 301.6490 -183560.0267 -148925.4998 300.0654 43.6490 74.3196 556916.5767 0.7549 0.6833 PRESSURE: 4686800 -216.971 74.1359 43.0912 74.1355 95.1352 140.495 43.0924 140.496 208.162 GPRESSURE: 4686800 -174.168 72.1764 -8.02639 77.4011 119.885 117.226 97.5214 174.323 238.341 PRESSAVG: 4686800 19.963 -9.05995 -41.5161 -9.05987 4.86806 21.2902 -41.5161 21.2902 -14.3796 GPRESSAVG: 4686800 20.2362 -10.1495 -42.056 -8.60088 4.82776 23.2362 -42.2591 21.8173 -13.9878 TIMING: 4686800 CPU: 14073.7, 0.00296556/step Wall: 14073.7, 0.00296556/step, 0.258004 hours remaining, 209.695312 MB of memory in use. ENERGY: 4686800 783.1190 2070.8213 1930.9075 117.8854 -206339.1451 17905.2735 0.0000 0.0000 34325.4880 -149205.6503 299.7730 -183531.1383 -149110.2875 299.6391 28.7754 61.3525 558625.7959 3.4838 3.6921 PRESSURE: 4687000 239.01 201.975 -82.1517 201.975 177.678 76.2363 -82.1536 76.2358 -78.0512 GPRESSURE: 4687000 238.449 71.7952 -57.2832 205.071 169.144 94.6038 -17.0358 156.883 26.6671 PRESSAVG: 4687000 30.1902 43.0213 22.1258 43.0212 -38.1499 60.2428 22.1258 60.2427 -40.0113 GPRESSAVG: 4687000 30.135 42.8227 22.6761 44.0805 -38.5485 59.0195 22.6932 59.7719 -39.0702 TIMING: 4687000 CPU: 14074.3, 0.00296471/step Wall: 14074.3, 0.00296471/step, 0.257765 hours remaining, 209.695312 MB of memory in use. ENERGY: 4687000 674.8806 2068.5786 1950.3571 119.8017 -205965.5010 17791.5967 0.0000 0.0000 34330.1200 -149030.1662 299.8135 -183360.2862 -148938.3351 298.7271 112.8789 144.7534 558876.3797 -15.9904 -15.8279 PRESSURE: 4687200 79.3797 20.8036 -80.5768 20.8026 -596.353 86.0654 -80.5779 86.0647 122.202 GPRESSURE: 4687200 97.437 14.7554 -103.854 6.35395 -566.826 34.3619 -83.4784 146.354 169.18 PRESSAVG: 4687200 40.043 -14.2281 23.6313 -14.2281 -21.5634 -38.5367 23.6313 -38.5367 -22.2386 GPRESSAVG: 4687200 40.7512 -10.5291 22.0455 -14.9048 -20.7834 -39.5799 23.2014 -39.2858 -24.0745 TIMING: 4687200 CPU: 14074.9, 0.00297121/step Wall: 14074.9, 0.00297121/step, 0.258165 hours remaining, 209.695312 MB of memory in use. ENERGY: 4687200 752.1015 2027.8523 1970.0784 121.2585 -205732.0260 17661.7885 0.0000 0.0000 34121.6380 -149077.3087 297.9928 -183198.9468 -148988.5265 299.7208 -131.5902 -100.0697 559519.3664 -1.2530 -1.3689 PRESSURE: 4687400 18.8137 -33.9376 153.795 -33.9367 37.7343 -107.761 153.795 -107.76 148.929 GPRESSURE: 4687400 110.482 -85.1645 163.805 -46.5397 -16.1361 -121.223 93.2239 -40.1097 206.092 PRESSAVG: 4687400 24.6964 34.849 -49.0756 34.8491 -47.4303 -6.00741 -49.0756 -6.0073 52.038 GPRESSAVG: 4687400 25.0353 33.1223 -46.9711 34.6066 -47.5879 -6.42702 -49.7746 -4.32923 52.3996 TIMING: 4687400 CPU: 14075.5, 0.00297084/step Wall: 14075.5, 0.00297084/step, 0.257968 hours remaining, 209.695312 MB of memory in use. ENERGY: 4687400 745.6412 2110.6912 1926.2906 114.5677 -206044.8059 17881.8973 0.0000 0.0000 34297.5595 -148968.1583 299.5291 -183265.7178 -148866.8747 299.7347 68.4924 100.1458 558221.3599 9.7680 9.9490 PRESSURE: 4687600 -97.2131 -67.0871 -165.375 -67.0845 136.165 65.1409 -165.374 65.1411 -6.08923 GPRESSURE: 4687600 -48.0301 0.178491 -201.957 -97.7536 198.994 -57.0762 -112.383 159.597 -10.4734 PRESSAVG: 4687600 28.6817 -74.9984 1.13068 -74.9984 -62.0697 -86.4193 1.13072 -86.4192 34.9864 GPRESSAVG: 4687600 27.6886 -73.9981 1.24391 -76.1664 -60.8822 -85.8183 1.98938 -86.6766 35.2157 TIMING: 4687600 CPU: 14076.1, 0.00299427/step Wall: 14076.1, 0.00299427/step, 0.259836 hours remaining, 209.695312 MB of memory in use. ENERGY: 4687600 746.7825 2041.9865 1931.4407 99.8818 -206169.9120 17916.3452 0.0000 0.0000 34309.2306 -149124.2447 299.6310 -183433.4753 -149029.5757 299.7873 10.9543 46.8300 558429.8148 0.5328 0.6740 PRESSURE: 4687800 119.076 72.6787 -2.59132 72.6782 167.534 -42.5016 -2.59073 -42.5006 -87.0341 GPRESSURE: 4687800 178.482 94.1332 20.6706 10.3255 155.763 -163.437 32.5427 -44.7067 -48.8359 PRESSAVG: 4687800 -1.59244 -49.8292 58.9054 -49.8292 22.8625 31.3032 58.9054 31.3033 0.0406642 GPRESSAVG: 4687800 -1.00565 -50.9542 59.3572 -48.4639 23.1075 34.1739 56.3705 28.626 -1.06798 TIMING: 4687800 CPU: 14076.7, 0.00297325/step Wall: 14076.7, 0.00297325/step, 0.257847 hours remaining, 209.765625 MB of memory in use. ENERGY: 4687800 716.3013 2093.9150 1927.2822 104.8713 -205954.1874 17755.2284 0.0000 0.0000 34190.0751 -149166.5141 298.5904 -183356.5891 -149067.4787 298.8073 66.5254 95.1364 557563.1233 7.1036 7.0113 PRESSURE: 4688000 -226.133 54.7735 -78.4295 54.7737 -366.694 -18.7789 -78.4294 -18.7771 -346.204 GPRESSURE: 4688000 -178.801 37.4353 -48.3422 113.663 -358.033 -88.8507 -61.7565 -62.5135 -307.066 PRESSAVG: 4688000 23.466 -13.4432 -30.164 -13.4432 -5.66099 15.9541 -30.164 15.954 -31.7426 GPRESSAVG: 4688000 22.2531 -12.5419 -29.4704 -15.068 -6.45056 16.1198 -30.3758 16.9475 -30.4092 TIMING: 4688000 CPU: 14077.3, 0.00296526/step Wall: 14077.3, 0.00296526/step, 0.25699 hours remaining, 209.765625 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: 4688000 744.6421 2054.5684 1933.5026 99.0516 -205626.3246 17395.2639 0.0000 0.0000 34240.5618 -149158.7342 299.0313 -183399.2960 -149065.5120 298.9393 -313.0103 -281.3000 558816.1084 -4.6458 -4.8689 PRESSURE: 4688200 39.2923 -60.0836 -40.4814 -60.0834 129.117 -23.191 -40.4815 -23.1913 -143.262 GPRESSURE: 4688200 99.2983 -60.1922 -139.546 -35.818 121.35 65.1548 12.7818 -51.337 -87.9313 PRESSAVG: 4688200 52.0059 -1.12643 -22.9168 -1.12639 -30.2284 25.3269 -22.9168 25.3268 -3.617 GPRESSAVG: 4688200 51.2026 -2.31854 -25.7417 -0.339698 -29.6459 25.0989 -19.3834 25.5103 -3.06474 TIMING: 4688200 CPU: 14077.9, 0.00295495/step Wall: 14077.9, 0.00295495/step, 0.255931 hours remaining, 209.765625 MB of memory in use. ENERGY: 4688200 750.4394 2041.3283 1927.6662 111.1634 -206070.9284 17911.2985 0.0000 0.0000 34233.5128 -149095.5199 298.9698 -183329.0327 -148999.3920 299.8032 8.3825 44.2390 557397.9434 6.0535 6.1640 LDB: ============= START OF LOAD BALANCING ============== 14081.4 LDB: ============== END OF LOAD BALANCING =============== 14081.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14081.4 LDB: ============= START OF LOAD BALANCING ============== 14081.7 LDB: Largest compute 4773 load 0.028164 is 23.8% of average load 0.118417 LDB: Average compute 0.001738 is 1.5% of average load 0.118417 LDB: TIME 14081.7 LOAD: AVG 0.118417 MAX 0.212407 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.422 MB LDB: TIME 14081.7 LOAD: AVG 0.118417 MAX 0.212407 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.422 MB LDB: TIME 14081.7 LOAD: AVG 0.118417 MAX 0.212407 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.422 MB LDB: ============== END OF LOAD BALANCING =============== 14081.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14081.7 PRESSURE: 4688400 8.66807 -79.9973 219.62 -79.9987 -96.0733 127.335 219.62 127.336 -185.25 GPRESSURE: 4688400 -14.2192 -65.0507 245.892 -74.9547 -28.2406 27.8929 200.604 162.742 -135.737 PRESSAVG: 4688400 20.0892 -6.23305 40.5792 -6.23305 -34.1266 14.5324 40.5792 14.5324 24.7497 GPRESSAVG: 4688400 21.1527 -5.76792 41.0806 -5.50066 -34.5854 11.9325 39.9818 15.5475 24.175 TIMING: 4688400 CPU: 14078.5, 0.00306202/step Wall: 14078.5, 0.00306202/step, 0.265035 hours remaining, 208.656250 MB of memory in use. ENERGY: 4688400 720.1678 2020.8592 1919.5471 110.5461 -205578.8581 17443.4730 0.0000 0.0000 34258.1287 -149106.1361 299.1848 -183364.2648 -149012.8630 299.7175 -90.8850 -59.3990 557583.1995 3.5708 3.5808 PRESSURE: 4688600 222.605 -83.615 41.0593 -83.615 -24.7651 -19.9369 41.0586 -19.9362 85.9505 GPRESSURE: 4688600 313.824 -135.624 100.539 -35.5924 -49.7809 21.5886 12.7194 -13.9955 117.224 PRESSAVG: 4688600 72.8783 8.08772 -11.4661 8.08773 -75.5978 -13.6143 -11.4662 -13.6143 43.9615 GPRESSAVG: 4688600 72.6522 6.52548 -12.3837 10.0143 -75.1178 -12.122 -11.7763 -12.8585 43.7205 TIMING: 4688600 CPU: 14079.1, 0.00296293/step Wall: 14079.1, 0.00296293/step, 0.256293 hours remaining, 208.656250 MB of memory in use. ENERGY: 4688600 732.1777 2086.6759 1920.8978 112.2237 -206317.7974 18022.1313 0.0000 0.0000 34358.5162 -149085.1748 300.0615 -183443.6910 -148988.6514 299.3974 94.5967 127.0891 557690.0269 13.7473 13.7516 PRESSURE: 4688800 122.454 79.3829 70.5244 79.3826 -91.5735 -50.4672 70.5253 -50.4686 133.692 GPRESSURE: 4688800 198.773 201.748 6.08683 99.8094 -53.0149 -49.5356 58.2596 -78.3932 125.444 PRESSAVG: 4688800 69.6362 22.0597 -39.9692 22.0597 -21.1481 -7.08306 -39.9692 -7.08316 25.1539 GPRESSAVG: 4688800 70.3173 26.1535 -39.2463 19.2525 -21.5576 -7.24056 -40.5665 -7.8655 24.8499 TIMING: 4688800 CPU: 14079.7, 0.00297326/step Wall: 14079.7, 0.00297326/step, 0.257022 hours remaining, 208.656250 MB of memory in use. ENERGY: 4688800 704.2723 2113.5368 1956.2959 110.6207 -206077.3895 17750.9016 0.0000 0.0000 34309.2848 -149132.4774 299.6315 -183441.7622 -149038.4115 299.5735 54.8574 90.4008 557214.2858 24.5473 24.5365 PRESSURE: 4689000 -77.7487 -40.2939 -123.657 -40.294 177.418 -13.0008 -123.658 -13.0013 -148.395 GPRESSURE: 4689000 -45.7833 -49.9014 -120.44 -15.4874 146.428 83.2718 -113.329 -23.9864 -50.0461 PRESSAVG: 4689000 -2.46527 -0.408004 -42.5102 -0.407964 -17.5922 6.23795 -42.5103 6.23799 3.26775 GPRESSAVG: 4689000 -1.72148 -1.77286 -41.7136 1.40961 -17.577 5.95319 -41.4508 7.21092 2.12669 TIMING: 4689000 CPU: 14080.3, 0.00297767/step Wall: 14080.3, 0.00297767/step, 0.257238 hours remaining, 208.656250 MB of memory in use. ENERGY: 4689000 711.8218 2065.3449 1946.0843 104.7502 -206187.5133 17787.1662 0.0000 0.0000 34312.9565 -149259.3894 299.6636 -183572.3458 -149166.1581 299.2669 -16.2419 16.8664 558169.2283 -5.5966 -5.7239 PRESSURE: 4689200 -144.537 -93.1743 -55.9323 -93.1756 38.4709 46.8013 -55.9323 46.8012 37.7789 GPRESSURE: 4689200 -87.5718 -183.67 -82.6609 -38.5618 31.0438 -10.6298 56.6876 55.8043 73.5994 PRESSAVG: 4689200 -80.8302 -12.69 -20.675 -12.69 39.7205 -18.3542 -20.6749 -18.3541 -5.17134 GPRESSAVG: 4689200 -82.2561 -13.1353 -19.5213 -14.532 39.2314 -19.2755 -21.8486 -18.802 -3.14345 TIMING: 4689200 CPU: 14080.9, 0.00296733/step Wall: 14080.9, 0.00296733/step, 0.25618 hours remaining, 208.656250 MB of memory in use. ENERGY: 4689200 771.8896 2096.1531 1976.5885 117.2767 -206230.2742 17883.5874 0.0000 0.0000 34217.9632 -149166.8158 298.8340 -183384.7790 -149075.2260 299.7646 -22.7624 5.6905 558679.9340 -15.4270 -15.3894 PRESSURE: 4689400 -209.578 184.894 -74.8034 184.895 -7.20304 78.0915 -74.8054 78.0913 179.673 GPRESSURE: 4689400 -133.123 194.847 -82.4553 182.414 -3.45098 20.761 -88.7071 114.209 198.458 PRESSAVG: 4689400 -29.5743 1.55135 -43.6479 1.55135 -13.6039 7.47411 -43.648 7.47398 35.1783 GPRESSAVG: 4689400 -28.4848 1.5846 -44.0477 3.79793 -12.8865 8.84959 -43.092 5.8381 32.5436 TIMING: 4689400 CPU: 14081.5, 0.00295277/step Wall: 14081.5, 0.00295277/step, 0.254758 hours remaining, 208.656250 MB of memory in use. ENERGY: 4689400 730.4283 2101.0145 1940.4380 117.5867 -206489.0794 17963.6914 0.0000 0.0000 34424.7236 -149211.1970 300.6397 -183635.9206 -149112.2334 299.8533 -12.3693 20.6280 557711.7678 -2.6666 -2.9425 PRESSURE: 4689600 -94.2285 76.2563 142.96 76.2553 -110.111 -170.669 142.959 -170.667 455.675 GPRESSURE: 4689600 -48.1718 134.219 70.3165 37.028 -47.7263 -154.536 93.9555 -146.62 444.897 PRESSAVG: 4689600 -27.9622 -42.3899 28.1085 -42.3898 -50.487 -37.3564 28.1085 -37.3564 72.6168 GPRESSAVG: 4689600 -29.719 -43.2999 26.9652 -43.1959 -50.8668 -37.2382 29.1338 -36.8614 73.9018 TIMING: 4689600 CPU: 14082, 0.00295384/step Wall: 14082, 0.00295384/step, 0.254686 hours remaining, 208.656250 MB of memory in use. ENERGY: 4689600 795.4161 2074.2809 1977.9197 116.5714 -206528.9877 18115.7369 0.0000 0.0000 34282.6754 -149166.3872 299.3991 -183449.0626 -149073.3136 299.1750 83.7783 116.3328 557541.6715 -1.9441 -2.2280 PRESSURE: 4689800 -20.0509 33.9468 -59.0648 33.9455 -137.956 -78.8901 -59.0663 -78.8904 15.2432 GPRESSURE: 4689800 48.9542 -1.67224 -95.7605 96.3313 -104.19 -82.7624 30.2913 -105.477 17.4813 PRESSAVG: 4689800 45.1417 28.7071 -5.25171 28.7071 -43.2463 -14.9785 -5.25178 -14.9786 -1.81587 GPRESSAVG: 4689800 46.3695 27.9613 -3.58059 29.9532 -44.5416 -14.3776 -6.2492 -14.4584 -2.30338 TIMING: 4689800 CPU: 14082.6, 0.00296925/step Wall: 14082.6, 0.00296925/step, 0.255851 hours remaining, 208.656250 MB of memory in use. ENERGY: 4689800 740.5061 2087.7863 1928.6857 118.8110 -205904.0591 17565.9889 0.0000 0.0000 34160.1135 -149302.1676 298.3288 -183462.2810 -149197.1401 299.4207 -47.5878 -12.5848 557316.6913 0.0265 -0.1585 PRESSURE: 4690000 75.4518 48.7404 -81.7627 48.7403 67.7104 -54.3955 -81.7626 -54.3955 -247.126 GPRESSURE: 4690000 126.027 85.0371 -69.9829 57.6178 55.5983 -85.4502 -30.0283 13.1705 -188.745 PRESSAVG: 4690000 22.2765 -0.237572 -24.5445 -0.237505 -1.39059 -10.0912 -24.5444 -10.0912 31.7305 GPRESSAVG: 4690000 22.4828 0.467366 -24.4227 -1.7537 -0.564034 -9.62734 -25.4269 -9.84835 30.8762 TIMING: 4690000 CPU: 14083.2, 0.00298757/step Wall: 14083.2, 0.00298757/step, 0.257263 hours remaining, 208.656250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4690000 718.8958 2065.3339 1944.2213 113.3560 -206125.7054 17761.2514 0.0000 0.0000 34295.1919 -149227.4549 299.5084 -183522.6469 -149128.6768 299.0536 -34.6544 -2.3733 558081.6756 17.5388 17.5983 PRESSURE: 4690200 -7.32197 -12.2223 -217.225 -12.2219 -207.073 103.288 -217.227 103.289 -132.756 GPRESSURE: 4690200 82.4694 -37.3595 -267.429 -17.8482 -201.495 35.8216 -232.057 169.24 -123.279 PRESSAVG: 4690200 -29.4643 -61.758 -21.9996 -61.758 57.0849 43.087 -21.9996 43.0872 5.30192 GPRESSAVG: 4690200 -30.74 -61.1569 -24.4148 -60.6824 58.3582 44.0745 -19.1269 43.6027 5.71389 TIMING: 4690200 CPU: 14083.8, 0.00297744/step Wall: 14083.8, 0.00297744/step, 0.256226 hours remaining, 208.656250 MB of memory in use. ENERGY: 4690200 745.4652 2087.4650 1927.7527 116.4675 -205875.6717 17515.8788 0.0000 0.0000 34266.7499 -149215.8925 299.2600 -183482.6424 -149119.0339 299.7249 -115.7168 -80.7682 558149.7432 10.9742 11.1107 PRESSURE: 4690400 523.515 71.37 -31.6232 71.3712 52.7893 -46.075 -31.6227 -46.0737 143.42 GPRESSURE: 4690400 529.053 81.3468 38.7307 69.7277 124.743 -121.43 -72.8758 -29.0772 149.567 PRESSAVG: 4690400 -17.6202 -10.4575 -23.7286 -10.4575 1.05234 72.2378 -23.7287 72.2378 -18.2227 GPRESSAVG: 4690400 -17.7044 -10.9636 -22.3673 -10.1777 0.28731 71.4692 -27.4309 72.6503 -17.3383 TIMING: 4690400 CPU: 14084.4, 0.00300783/step Wall: 14084.4, 0.00300783/step, 0.258674 hours remaining, 208.656250 MB of memory in use. ENERGY: 4690400 725.2114 2081.7729 1937.5956 110.2836 -206403.8432 18033.3671 0.0000 0.0000 34207.3346 -149308.2779 298.7412 -183515.6126 -149207.3754 298.7784 239.9081 267.7875 556407.1605 -11.5969 -11.5851 PRESSURE: 4690600 -19.5501 -134.419 -98.8614 -134.419 -429.129 68.0965 -98.8597 68.0983 -201.569 GPRESSURE: 4690600 -21.8073 -183.417 -110.233 -149.64 -364.727 55.2748 -124.733 79.7576 -165.708 PRESSAVG: 4690600 -41.2596 15.8721 23.7071 15.872 44.1531 0.491883 23.7071 0.491954 -8.22486 GPRESSAVG: 4690600 -40.6847 15.1536 23.7954 15.6451 45.2557 1.22782 25.2085 -1.86009 -9.92345 TIMING: 4690600 CPU: 14085, 0.00301586/step Wall: 14085, 0.00301586/step, 0.259196 hours remaining, 208.656250 MB of memory in use. ENERGY: 4690600 764.4430 2090.2843 1961.8513 112.0270 -206096.7903 17702.2466 0.0000 0.0000 34124.7052 -149341.2328 298.0195 -183465.9380 -149251.0650 298.9254 -216.7495 -184.0808 558240.4965 -1.7771 -1.7842 PRESSURE: 4690800 -106.106 61.0253 119.332 61.0257 37.2041 -69.6996 119.332 -69.7012 -139.535 GPRESSURE: 4690800 -26.1438 57.3022 103.149 131.173 9.59103 -113.292 115.155 -38.5299 -97.9722 PRESSAVG: 4690800 -39.9775 5.59545 -41.0705 5.59552 -21.9401 4.53644 -41.0705 4.53649 63.8119 GPRESSAVG: 4690800 -39.6127 4.12868 -43.0062 7.19511 -23.1522 2.64476 -38.5573 6.04435 64.6484 TIMING: 4690800 CPU: 14085.6, 0.00296759/step Wall: 14085.6, 0.00296759/step, 0.254883 hours remaining, 208.722656 MB of memory in use. ENERGY: 4690800 739.6125 2106.3847 1967.3647 111.6590 -206343.7816 17688.5909 0.0000 0.0000 34231.8844 -149498.2854 298.9556 -183730.1698 -149409.3656 298.8824 -69.4789 -38.1750 558212.5542 0.6315 0.6278 PRESSURE: 4691000 52.5132 -28.1585 -1.74532 -28.1576 -265.956 -148.66 -1.7462 -148.659 -9.84206 GPRESSURE: 4691000 72.4959 14.4823 45.031 -140.879 -156.889 -233.593 -19.2493 -47.2552 -42.4629 PRESSAVG: 4691000 11.9103 -9.12738 -2.36727 -9.1274 -9.78096 -14.8291 -2.36731 -14.8291 -21.3166 GPRESSAVG: 4691000 11.4943 -6.8606 1.47897 -11.5594 -8.76204 -13.64 -5.71623 -14.7478 -22.3052 TIMING: 4691000 CPU: 14086.2, 0.00295897/step Wall: 14086.2, 0.00295897/step, 0.253979 hours remaining, 208.925781 MB of memory in use. ENERGY: 4691000 799.9920 2171.6510 1942.4602 114.0997 -206327.2151 17796.5686 0.0000 0.0000 34018.7753 -149483.6684 297.0944 -183502.4437 -149383.4836 298.8974 -74.4283 -42.2855 556963.0218 -6.3958 -6.5243 PRESSURE: 4691200 -229.238 -148.399 160.304 -148.4 -57.0072 -8.51931 160.303 -8.52036 -331.456 GPRESSURE: 4691200 -129.252 -82.6955 200.901 -159.773 -63.6722 -88.6711 123.387 13.2564 -314.011 PRESSAVG: 4691200 1.57545 -9.76794 54.447 -9.76797 39.4325 27.992 54.447 27.992 -22.9846 GPRESSAVG: 4691200 1.53233 -10.1121 51.7189 -8.08411 38.2982 28.508 54.9279 28.1322 -21.6767 TIMING: 4691200 CPU: 14086.8, 0.00296136/step Wall: 14086.8, 0.00296136/step, 0.254019 hours remaining, 208.925781 MB of memory in use. ENERGY: 4691200 749.8795 2069.2988 1943.3530 100.1327 -206167.2859 17527.7299 0.0000 0.0000 34328.7461 -149448.1458 299.8015 -183776.8919 -149347.2933 298.8274 -205.9003 -168.9784 557208.1647 6.0078 6.0513 PRESSURE: 4691400 46.0861 65.9886 -91.4512 65.9886 -108.097 6.75762 -91.4519 6.7587 145.737 GPRESSURE: 4691400 103.189 -12.9684 -146.072 139.218 -10.0759 52.7634 -57.4704 0.793759 85.1636 PRESSAVG: 4691400 84.6336 6.94344 3.39175 6.94344 -34.2943 37.6283 3.39178 37.6285 -55.7627 GPRESSAVG: 4691400 83.8185 6.79543 1.57509 5.03869 -33.8806 35.7765 2.88042 38.6778 -55.4253 TIMING: 4691400 CPU: 14087.4, 0.0029797/step Wall: 14087.4, 0.0029797/step, 0.255426 hours remaining, 208.925781 MB of memory in use. ENERGY: 4691400 761.5060 2087.9093 1951.4797 108.9496 -206306.2702 17902.4480 0.0000 0.0000 34116.8105 -149377.1671 297.9506 -183493.9776 -149286.9888 298.4926 27.9085 59.4257 557534.2793 -1.8078 -1.8291 PRESSURE: 4691600 -322.264 78.5168 24.9394 78.517 -28.6267 65.6494 24.9403 65.6506 108.504 GPRESSURE: 4691600 -310.118 109.015 37.4037 12.5626 34.4986 -18.5289 0.495901 85.5784 134.061 PRESSAVG: 4691600 -19.5375 -8.9107 10.4217 -8.91072 33.9242 -1.57852 10.4218 -1.57847 24.3663 GPRESSAVG: 4691600 -19.4801 -8.83513 13.0142 -7.79952 34.8687 -2.39011 11.6589 -1.31195 24.0347 TIMING: 4691600 CPU: 14088, 0.00296743/step Wall: 14088, 0.00296743/step, 0.254209 hours remaining, 208.925781 MB of memory in use. ENERGY: 4691600 743.9656 2078.5255 1948.1234 107.6787 -206525.7716 18018.5934 0.0000 0.0000 34312.1580 -149316.7271 299.6566 -183628.8851 -149221.6112 298.7740 -80.7956 -47.1863 559606.4621 12.9177 13.1411 PRESSURE: 4691800 -131.294 -27.5106 67.4535 -27.5114 -102.07 113.374 67.4544 113.374 -115.311 GPRESSURE: 4691800 -82.1564 21.7996 10.7919 -5.12158 -133.733 35.9067 148.241 209.121 -43.5033 PRESSAVG: 4691800 -11.9971 -19.4205 61.2503 -19.4205 6.2391 50.6024 61.2504 50.6023 47.2134 GPRESSAVG: 4691800 -10.8114 -17.9177 61.2466 -19.6431 6.32223 49.8028 60.9054 50.2689 45.4902 TIMING: 4691800 CPU: 14088.6, 0.00295275/step Wall: 14088.6, 0.00295275/step, 0.252788 hours remaining, 208.925781 MB of memory in use. ENERGY: 4691800 765.1082 2070.9728 1956.7258 120.3071 -206429.4540 17877.7490 0.0000 0.0000 34284.8734 -149353.7176 299.4183 -183638.5910 -149257.5077 299.1582 -116.2248 -86.4643 558446.0983 13.8185 13.6670 PRESSURE: 4692000 169.945 102.819 1.70627 102.818 12.8239 -35.8539 1.70661 -35.8539 231.529 GPRESSURE: 4692000 243.453 81.8277 63.1797 132.531 63.226 0.378489 -18.4652 18.9693 222.108 PRESSAVG: 4692000 47.0396 18.1289 23.3108 18.1289 -32.1566 -3.4286 23.3108 -3.42859 -21.5027 GPRESSAVG: 4692000 47.223 18.5953 25.3315 16.6827 -34.0403 -0.893503 23.4659 -3.0725 -19.5402 TIMING: 4692000 CPU: 14089.2, 0.00295877/step Wall: 14089.2, 0.00295877/step, 0.253139 hours remaining, 208.925781 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: 4692000 736.1755 2067.6309 1951.7662 123.2187 -206434.1886 17976.5255 0.0000 0.0000 34245.9686 -149332.9032 299.0786 -183578.8719 -149236.6155 298.4673 138.0995 176.2624 558088.1137 -2.2065 -2.1192 PRESSURE: 4692200 34.4066 73.601 1.52211 73.5994 -115.792 108.413 1.5222 108.413 -293.609 GPRESSURE: 4692200 57.5672 75.7173 -18.1331 69.3421 -66.5607 163.105 -53.024 93.0096 -271.582 PRESSAVG: 4692200 32.8059 2.01331 22.8766 2.01329 -26.4775 12.2531 22.8766 12.253 -18.1139 GPRESSAVG: 4692200 33.021 1.52928 22.3957 2.42216 -25.5001 11.9198 22.3578 10.6038 -18.9513 TIMING: 4692200 CPU: 14089.8, 0.00298522/step Wall: 14089.8, 0.00298522/step, 0.255236 hours remaining, 208.925781 MB of memory in use. ENERGY: 4692200 749.8771 2037.0190 1951.9899 105.2251 -205974.4292 17552.9143 0.0000 0.0000 34372.0535 -149205.3503 300.1797 -183577.4038 -149112.1364 299.0401 -124.9984 -93.5252 557830.1829 -3.9285 -3.8102 LDB: ============= START OF LOAD BALANCING ============== 14093.3 LDB: ============== END OF LOAD BALANCING =============== 14093.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14093.3 LDB: ============= START OF LOAD BALANCING ============== 14093.6 LDB: Largest compute 4772 load 0.026015 is 22.0% of average load 0.118308 LDB: Average compute 0.001743 is 1.5% of average load 0.118308 LDB: TIME 14093.6 LOAD: AVG 0.118308 MAX 0.209158 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.746 MB LDB: TIME 14093.6 LOAD: AVG 0.118308 MAX 0.209158 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.746 MB LDB: TIME 14093.6 LOAD: AVG 0.118308 MAX 0.209158 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.746 MB LDB: ============== END OF LOAD BALANCING =============== 14093.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14093.6 PRESSURE: 4692400 -313.295 -124.239 -242.769 -124.238 -326.646 8.93498 -242.77 8.93504 -65.2619 GPRESSURE: 4692400 -316.538 -107.902 -188.463 -44.0399 -239.513 -12.7436 -245.02 46.5609 -58.6438 PRESSAVG: 4692400 57.8394 -35.0565 40.3459 -35.0564 -49.6215 73.0088 40.3459 73.0087 -13.8197 GPRESSAVG: 4692400 55.851 -35.8295 38.8137 -35.5277 -48.3357 71.6031 42.52 74.3935 -13.6136 TIMING: 4692400 CPU: 14090.4, 0.00299228/step Wall: 14090.4, 0.00299228/step, 0.255674 hours remaining, 209.957031 MB of memory in use. ENERGY: 4692400 752.1245 2108.7664 1956.0545 112.2043 -205351.1500 17290.6831 0.0000 0.0000 34060.2698 -149071.0474 297.4568 -183131.3172 -148978.3944 299.1937 -235.0676 -204.8984 557969.4072 -1.8673 -2.0327 PRESSURE: 4692600 224.879 -140.006 -22.9643 -140.008 144.201 -198.633 -22.9647 -198.631 50.0035 GPRESSURE: 4692600 218.327 -182.087 -58.0747 -93.8416 175.07 -279.323 -31.842 -195.075 123.25 PRESSAVG: 4692600 45.5803 -11.691 46.371 -11.6909 -12.7683 -9.67075 46.371 -9.67078 -13.0149 GPRESSAVG: 4692600 48.5226 -11.533 46.1361 -9.98617 -14.112 -9.06111 44.5918 -12.1983 -13.9767 TIMING: 4692600 CPU: 14091, 0.00295167/step Wall: 14091, 0.00295167/step, 0.25204 hours remaining, 210.027344 MB of memory in use. ENERGY: 4692600 720.0443 2061.8739 1950.0002 104.5930 -206332.6562 17981.6586 0.0000 0.0000 34133.4659 -149381.0205 298.0960 -183514.4864 -149289.0443 299.2098 139.6945 172.2154 556237.4954 6.5990 6.8113 PRESSURE: 4692800 -60.6926 84.1322 13.7554 84.132 -184.141 -33.8934 13.7552 -33.8922 39.9652 GPRESSURE: 4692800 12.8432 104.718 -18.0482 92.1715 -155.967 -79.7224 7.39074 58.8557 37.1083 PRESSAVG: 4692800 -31.0154 -22.6137 12.0867 -22.6137 -35.3867 -27.9654 12.0867 -27.9656 27.5764 GPRESSAVG: 4692800 -32.0295 -22.0912 13.4662 -23.169 -34.4526 -27.4128 12.2857 -26.5371 27.2148 TIMING: 4692800 CPU: 14091.6, 0.00296753/step Wall: 14091.6, 0.00296753/step, 0.253229 hours remaining, 210.027344 MB of memory in use. ENERGY: 4692800 742.7890 2130.7932 1929.8214 107.4067 -206082.6719 17681.6723 0.0000 0.0000 34173.2276 -149316.9617 298.4433 -183490.1893 -149220.6546 298.8240 -68.2896 -35.3384 557105.8188 -12.9419 -13.0891 PRESSURE: 4693000 27.6313 129.718 -95.2681 129.717 45.2501 27.3045 -95.2687 27.3024 -106.218 GPRESSURE: 4693000 63.1409 106.961 -98.8025 138.35 120.34 -96.762 -109.398 158.768 -120.187 PRESSAVG: 4693000 46.0084 -47.903 -8.76027 -47.903 12.8742 17.7593 -8.76024 17.7592 -17.4131 GPRESSAVG: 4693000 46.3567 -47.6227 -9.17713 -49.6819 11.2488 17.5043 -7.87185 18.9955 -16.1381 TIMING: 4693000 CPU: 14092.2, 0.00296866/step Wall: 14092.2, 0.00296866/step, 0.253161 hours remaining, 210.027344 MB of memory in use. ENERGY: 4693000 749.9615 2073.0730 1949.2683 119.7828 -206178.8078 17695.1655 0.0000 0.0000 34347.9908 -149243.5658 299.9695 -183591.5567 -149147.6804 299.2006 -11.1121 21.0980 557084.7335 13.8231 13.8225 PRESSURE: 4693200 -13.0999 -60.2128 -4.05381 -60.2142 -317.621 23.8827 -4.05377 23.8826 -374.463 GPRESSURE: 4693200 -13.054 15.6848 -33.0224 -63.2057 -282.154 28.3426 -38.4215 -11.0624 -298.454 PRESSAVG: 4693200 -8.52655 -55.2533 -10.5185 -55.2535 7.49811 28.6574 -10.5186 28.6574 -5.12662 GPRESSAVG: 4693200 -9.43957 -55.5341 -11.822 -53.0474 8.13444 27.7302 -9.7885 27.6785 -4.61777 TIMING: 4693200 CPU: 14092.7, 0.00294961/step Wall: 14092.7, 0.00294961/step, 0.251372 hours remaining, 210.027344 MB of memory in use. ENERGY: 4693200 771.2602 2100.4550 1950.4336 123.3811 -205775.4952 17388.6267 0.0000 0.0000 34330.5213 -149110.8173 299.8170 -183441.3386 -149017.3065 299.5113 -235.0613 -197.8875 558617.0056 -2.0517 -1.9743 PRESSURE: 4693400 -353.262 -222.585 -142.31 -222.584 -219.534 -97.9402 -142.311 -97.9423 168.089 GPRESSURE: 4693400 -289.347 -220.249 -67.7901 -225.455 -134.912 -79.5449 -134.462 -159.632 100.915 PRESSAVG: 4693400 -11.7607 -73.0641 69.8109 -73.064 -16.6858 -8.67356 69.8108 -8.67367 71.4512 GPRESSAVG: 4693400 -11.3353 -72.2071 72.4871 -75.8196 -15.8753 -6.77641 69.1421 -8.78535 70.4448 TIMING: 4693400 CPU: 14093.3, 0.00295829/step Wall: 14093.3, 0.00295829/step, 0.251948 hours remaining, 210.027344 MB of memory in use. ENERGY: 4693400 789.3238 2121.0060 1914.4703 118.4201 -206020.8539 17633.8325 0.0000 0.0000 34330.1886 -149113.6127 299.8141 -183443.8013 -149020.9093 299.4965 -134.9021 -107.7809 557163.4495 14.3349 14.4114 PRESSURE: 4693600 -22.2171 7.56195 205.184 7.56296 -83.3712 -96.6999 205.185 -96.6994 -8.29696 GPRESSURE: 4693600 -59.3758 24.4555 218.964 -28.8943 -11.5407 -106.181 204.118 -158.074 44.3657 PRESSAVG: 4693600 -54.9441 -11.2684 6.22427 -11.2684 12.8401 -19.2289 6.22424 -19.2289 38.3757 GPRESSAVG: 4693600 -54.634 -11.142 4.19727 -10.4015 12.1367 -17.5877 6.27488 -19.1515 38.9932 TIMING: 4693600 CPU: 14093.9, 0.00297966/step Wall: 14093.9, 0.00297966/step, 0.253602 hours remaining, 210.027344 MB of memory in use. ENERGY: 4693600 721.1327 2051.4817 1944.3662 105.6577 -205776.7874 17537.2730 0.0000 0.0000 34171.1605 -149245.7156 298.4252 -183416.8761 -149144.9861 299.5090 -37.9618 -8.8502 558326.0270 -1.2428 -1.1680 PRESSURE: 4693800 56.7314 -2.85966 3.597 -2.85902 125.933 23.4191 3.59562 23.4202 179.298 GPRESSURE: 4693800 30.18 75.3749 -120.992 -79.3992 178.364 126.395 33.396 -95.0039 255.55 PRESSAVG: 4693800 -0.537204 45.8304 30.4848 45.8304 19.2194 -43.7236 30.4847 -43.7235 -29.8281 GPRESSAVG: 4693800 -0.462738 44.0953 30.3144 47.0103 18.1217 -45.9706 29.6855 -40.7408 -28.705 TIMING: 4693800 CPU: 14094.5, 0.002984/step Wall: 14094.5, 0.002984/step, 0.253806 hours remaining, 210.027344 MB of memory in use. ENERGY: 4693800 725.7334 2064.4080 1937.2121 117.8485 -205973.6138 17965.5399 0.0000 0.0000 34158.0249 -149004.8469 298.3105 -183162.8718 -148911.0313 299.9541 120.6540 154.6977 558781.6063 -3.7153 -3.6820 PRESSURE: 4694000 -144.149 157.706 77.8673 157.707 -13.0548 -191.477 77.8691 -191.477 34.6859 GPRESSURE: 4694000 -105.2 216.156 102.997 120.979 -3.5111 -121.488 -59.3973 -152.964 69.374 PRESSAVG: 4694000 19.3098 -16.4709 5.17094 -16.471 -25.6839 -2.55143 5.17092 -2.55147 5.89438 GPRESSAVG: 4694000 19.5181 -14.5487 5.53657 -16.8304 -24.7089 -0.388995 6.50098 -6.08486 4.93504 TIMING: 4694000 CPU: 14095.1, 0.00297815/step Wall: 14095.1, 0.00297815/step, 0.253143 hours remaining, 210.027344 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: 4694000 756.0298 2077.8935 1927.1625 110.5333 -205945.0601 17698.6179 0.0000 0.0000 34264.8567 -149109.9664 299.2435 -183374.8230 -149012.5215 299.8934 -40.8393 -13.1124 557775.5304 -0.1599 -0.0852 PRESSURE: 4694200 547.166 -137.997 -2.68467 -137.996 244.28 176.383 -2.68453 176.384 115.527 GPRESSURE: 4694200 605.809 -128.511 39.6943 -96.2326 194.816 149.47 47.6941 180.572 199.317 PRESSAVG: 4694200 4.97757 -17.3951 23.8363 -17.3951 -7.16158 6.07973 23.8362 6.07972 3.50042 GPRESSAVG: 4694200 5.11908 -20.0696 26.2964 -15.1978 -7.40544 2.92271 20.7925 5.01476 3.541 TIMING: 4694200 CPU: 14095.7, 0.00297635/step Wall: 14095.7, 0.00297635/step, 0.252824 hours remaining, 210.027344 MB of memory in use. ENERGY: 4694200 749.1434 2066.6474 1966.5450 106.7123 -206716.3099 18191.1169 0.0000 0.0000 34386.1518 -149249.9931 300.3028 -183636.1449 -149158.8143 299.7080 302.3244 333.3142 555839.5135 0.4388 0.4182 PRESSURE: 4694400 -50.2322 -45.9313 -211.23 -45.9325 -102.346 166.133 -211.23 166.135 62.2596 GPRESSURE: 4694400 20.4168 -37.3699 -212.969 -73.1608 -103.659 195.57 -166.161 134.573 80.0506 PRESSAVG: 4694400 29.3451 -21.3321 -5.16392 -21.3322 -60.7528 47.5878 -5.16385 47.5879 -23.3896 GPRESSAVG: 4694400 28.5424 -20.2494 -5.78308 -22.7711 -59.6945 47.8264 -0.372599 49.8934 -23.6158 TIMING: 4694400 CPU: 14096.3, 0.00298485/step Wall: 14096.3, 0.00298485/step, 0.253381 hours remaining, 210.027344 MB of memory in use. ENERGY: 4694400 742.3475 2080.6238 1950.8571 93.0665 -206210.5301 17852.2960 0.0000 0.0000 34217.6157 -149273.7235 298.8309 -183491.3392 -149176.0318 299.6649 -30.1061 -1.0639 556970.0333 -18.2658 -18.2560 PRESSURE: 4694600 56.555 38.3769 -100.087 38.3763 232.039 -178.61 -100.088 -178.61 19.2377 GPRESSURE: 4694600 54.6226 47.2464 -25.1227 -42.2065 266.773 -127.788 -58.9288 -207.251 76.5687 PRESSAVG: 4694600 -10.2101 25.9105 0.502353 25.9106 -28.9655 -29.4977 0.502417 -29.4975 22.571 GPRESSAVG: 4694600 -10.6172 25.0602 -2.56553 27.4782 -29.3739 -28.4995 -0.485105 -30.4747 23.6099 TIMING: 4694600 CPU: 14096.9, 0.00300672/step Wall: 14096.9, 0.00300672/step, 0.25507 hours remaining, 210.027344 MB of memory in use. ENERGY: 4694600 742.9366 2093.0380 1923.4792 106.3751 -206446.0949 18050.3893 0.0000 0.0000 34266.2268 -149263.6499 299.2555 -183529.8767 -149172.0338 299.1138 102.6106 132.6548 557212.1786 -5.5349 -5.4604 PRESSURE: 4694800 -9.09712 -42.8706 126.2 -42.8698 -89.5293 131.187 126.199 131.187 34.1684 GPRESSURE: 4694800 -14.4345 -60.4375 229.072 72.7601 -43.8828 78.2104 177.036 125.103 86.3558 PRESSAVG: 4694800 51.8149 -0.253618 72.034 -0.253608 -46.6235 -17.3404 72.034 -17.3405 27.8166 GPRESSAVG: 4694800 52.2347 2.66232 75.0693 -2.80594 -48.2705 -18.2322 71.055 -16.9701 28.8274 TIMING: 4694800 CPU: 14097.5, 0.00299329/step Wall: 14097.5, 0.00299329/step, 0.253765 hours remaining, 210.027344 MB of memory in use. ENERGY: 4694800 767.8672 2084.4104 1934.9974 104.6826 -206419.3474 17841.8155 0.0000 0.0000 34467.2817 -149218.2924 301.0113 -183685.5742 -149121.9075 299.3979 -21.4860 9.3462 556901.2281 11.0027 10.9305 PRESSURE: 4695000 22.7703 133.102 140.384 133.102 16.8818 -126.362 140.384 -126.364 -116.288 GPRESSURE: 4695000 46.719 160.595 192.156 191.149 67.9054 -125.791 102.717 -101.233 -80.5216 PRESSAVG: 4695000 -27.7988 48.7962 66.2137 48.7962 -42.2811 3.09032 66.2138 3.09032 88.4382 GPRESSAVG: 4695000 -28.1892 46.7623 65.8329 51.805 -40.1857 4.80481 66.2369 3.92495 86.8159 TIMING: 4695000 CPU: 14098.1, 0.00299333/step Wall: 14098.1, 0.00299333/step, 0.253601 hours remaining, 210.027344 MB of memory in use. ENERGY: 4695000 739.3082 2081.6058 1936.9913 104.1760 -206102.1918 17699.6250 0.0000 0.0000 34169.8236 -149370.6618 298.4136 -183540.4855 -149273.1472 298.8106 -25.5454 11.3676 556773.0169 6.1194 6.1470 PRESSURE: 4695200 -25.0361 83.6366 23.8419 83.637 -308.117 156.072 23.8408 156.071 -252.598 GPRESSURE: 4695200 -24.7622 103.242 38.3321 61.0339 -241.319 141.191 100.648 108.057 -221.861 PRESSAVG: 4695200 3.72697 0.778463 16.1252 0.778548 -42.8424 -50.6156 16.1252 -50.6155 9.13465 GPRESSAVG: 4695200 4.48424 1.28147 16.0698 -2.23438 -43.5185 -51.04 16.5553 -51.1537 9.01797 TIMING: 4695200 CPU: 14098.7, 0.00296559/step Wall: 14098.7, 0.00296559/step, 0.251087 hours remaining, 210.027344 MB of memory in use. ENERGY: 4695200 821.6994 2041.9249 1952.5287 119.3648 -206039.5614 17560.8666 0.0000 0.0000 34216.1211 -149327.0559 298.8179 -183543.1770 -149237.1349 299.0971 -195.2507 -162.6475 558685.9205 -9.9936 -10.0054 PRESSURE: 4695400 -42.3131 -23.669 -76.7734 -23.6692 -100.279 -31.84 -76.7725 -31.8413 -45.027 GPRESSURE: 4695400 -8.94016 -24.6618 -2.01988 -82.3906 -38.2544 -42.6739 -100.296 0.849226 -39.6773 PRESSAVG: 4695400 -22.1873 40.1449 25.8359 40.1448 -36.3737 -50.1563 25.8361 -50.1563 35.1009 GPRESSAVG: 4695400 -21.9527 39.5861 25.5234 40.1743 -36.1177 -48.9841 24.7398 -47.8456 35.1099 TIMING: 4695400 CPU: 14099.3, 0.00295513/step Wall: 14099.3, 0.00295513/step, 0.250037 hours remaining, 210.027344 MB of memory in use. ENERGY: 4695400 765.2213 2070.2383 1924.5042 108.4563 -206156.6884 17712.7790 0.0000 0.0000 34224.0038 -149351.4854 298.8867 -183575.4892 -149252.6955 299.6021 -62.5396 -28.9573 556540.1186 -7.8200 -7.6535 PRESSURE: 4695600 -116.376 134.348 -25.3928 134.348 -115.202 247.333 -25.3935 247.333 -233.311 GPRESSURE: 4695600 -123.128 146.518 51.4788 90.0324 -68.1577 328.691 -33.3176 200.073 -168.163 PRESSAVG: 4695600 -25.0964 -30.1921 37.7227 -30.1921 47.7151 3.74866 37.7227 3.74859 28.244 GPRESSAVG: 4695600 -25.7971 -30.6019 38.5222 -29.0147 47.9161 2.52722 37.9065 2.50257 28.7078 TIMING: 4695600 CPU: 14099.9, 0.00293888/step Wall: 14099.9, 0.00293888/step, 0.248498 hours remaining, 210.027344 MB of memory in use. ENERGY: 4695600 730.9667 2050.4539 1944.5460 119.3386 -206345.1456 17757.0193 0.0000 0.0000 34510.4796 -149232.3415 301.3886 -183742.8210 -149133.0338 300.3820 -154.9633 -119.8163 556719.0258 16.9542 16.9423 PRESSURE: 4695800 -73.1238 -10.6716 -76.3554 -10.6705 -409.489 60.1449 -76.3556 60.1462 -105.976 GPRESSURE: 4695800 -51.0105 -43.5909 -41.474 -67.7474 -391.769 -1.65332 -48.4402 78.6437 -52.3113 PRESSAVG: 4695800 85.172 -0.13306 -18.8629 -0.133071 -16.5381 23.258 -18.8628 23.2581 -79.2697 GPRESSAVG: 4695800 85.1522 -0.505805 -19.6855 -1.49283 -16.0448 22.7885 -19.9829 22.5466 -79.6964 TIMING: 4695800 CPU: 14100.5, 0.00296979/step Wall: 14100.5, 0.00296979/step, 0.250947 hours remaining, 210.027344 MB of memory in use. ENERGY: 4695800 758.4112 2130.1361 1923.1123 111.2349 -205911.1848 17548.6003 0.0000 0.0000 34164.7029 -149274.9871 298.3688 -183439.6900 -149179.2220 299.9327 -196.1962 -165.0302 558121.2785 -3.5453 -3.5297 PRESSURE: 4696000 203.5 -5.15871 -182.297 -5.15734 39.2386 -9.50526 -182.296 -9.50559 57.4375 GPRESSURE: 4696000 223.662 61.3067 -216.758 -67.8681 102.629 -113.673 -158.231 -32.0704 80.2974 PRESSAVG: 4696000 43.0863 -1.33828 -50.4905 -1.33824 -15.9595 3.29365 -50.4905 3.29359 3.33971 GPRESSAVG: 4696000 41.7614 -3.29415 -50.9622 1.592 -15.4613 1.96563 -48.6558 3.48571 3.95208 TIMING: 4696000 CPU: 14101.1, 0.00296148/step Wall: 14101.1, 0.00296148/step, 0.250081 hours remaining, 210.027344 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: 4696000 725.8813 2103.1905 1940.9096 104.7596 -206648.5238 18014.3919 0.0000 0.0000 34400.5824 -149358.8085 300.4288 -183759.3909 -149265.4512 299.0328 100.0586 135.5296 554760.4398 10.1555 10.0841 PRESSURE: 4696200 -154.145 30.4625 -22.8489 30.4619 -153.074 152.329 -22.8479 152.329 -231.983 GPRESSURE: 4696200 -164.051 36.6934 29.2124 -45.1539 -115.725 188.471 -98.642 223.083 -175.818 PRESSAVG: 4696200 -2.44921 59.2911 -23.9651 59.2911 10.8536 -49.6277 -23.9651 -49.6276 -33.6845 GPRESSAVG: 4696200 -1.41873 61.109 -23.8928 56.9191 11.2957 -48.6652 -24.648 -48.5298 -34.6632 TIMING: 4696200 CPU: 14101.7, 0.00295387/step Wall: 14101.7, 0.00295387/step, 0.249274 hours remaining, 210.027344 MB of memory in use. ENERGY: 4696200 772.8207 2117.9097 1954.9387 101.8090 -206045.1174 17754.3525 0.0000 0.0000 34087.7915 -149255.4953 297.6972 -183343.2868 -149163.7717 299.0326 -179.7341 -151.8648 557621.2008 -8.4267 -8.2621 LDB: ============= START OF LOAD BALANCING ============== 14105.2 LDB: ============== END OF LOAD BALANCING =============== 14105.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14105.2 LDB: ============= START OF LOAD BALANCING ============== 14105.5 LDB: Largest compute 4773 load 0.026470 is 22.4% of average load 0.118274 LDB: Average compute 0.001737 is 1.5% of average load 0.118274 LDB: TIME 14105.5 LOAD: AVG 0.118274 MAX 0.210273 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.953 MB LDB: TIME 14105.5 LOAD: AVG 0.118274 MAX 0.210273 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.156 MB LDB: TIME 14105.5 LOAD: AVG 0.118274 MAX 0.210273 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.156 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14105.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14105.5 PRESSURE: 4696400 131.417 -162.89 48.6305 -162.891 -133.868 7.91737 48.6306 7.91724 -5.88176 GPRESSURE: 4696400 176.602 -193.106 25.4118 -77.0159 -116.225 -3.38508 45.3882 -92.0598 30.2286 PRESSAVG: 4696400 63.2272 10.357 -2.35602 10.3571 -3.51429 17.6822 -2.35594 17.6821 -72.2722 GPRESSAVG: 4696400 63.5868 11.6599 -1.7276 9.12013 -4.72818 18.0637 -1.44982 16.8976 -71.3079 TIMING: 4696400 CPU: 14102.3, 0.00299333/step Wall: 14102.3, 0.00299333/step, 0.252438 hours remaining, 210.519531 MB of memory in use. ENERGY: 4696400 752.6326 2115.4938 1944.0651 118.6076 -206138.9830 17661.9063 0.0000 0.0000 34245.1451 -149301.1326 299.0714 -183546.2776 -149200.5673 299.7120 -2.7777 30.2019 556389.6716 -4.1864 -4.1498 PRESSURE: 4696600 79.3007 120.047 -22.2253 120.049 -2.32486 97.1271 -22.225 97.1261 -27.4925 GPRESSURE: 4696600 108.12 159.898 -96.938 101.682 -8.96312 103.57 -27.6662 135.149 58.4028 PRESSAVG: 4696600 100.852 17.5931 -12.336 17.5931 -21.2322 32.5772 -12.3359 32.5772 -35.1059 GPRESSAVG: 4696600 100.167 13.9501 -12.7831 18.3103 -20.1832 33.8701 -12.6561 31.7884 -35.1286 TIMING: 4696600 CPU: 14102.9, 0.0029772/step Wall: 14102.9, 0.0029772/step, 0.250912 hours remaining, 210.722656 MB of memory in use. ENERGY: 4696600 760.0577 2064.1998 1931.3256 113.4331 -206313.8580 17874.6696 0.0000 0.0000 34233.9656 -149336.2068 298.9737 -183570.1724 -149232.1054 299.5154 16.4944 52.5200 555455.0331 14.8381 14.9519 PRESSURE: 4696800 -35.197 -185.376 -157.033 -185.375 -46.243 -73.8562 -157.032 -73.8558 -285.311 GPRESSURE: 4696800 50.4258 -163.676 -132.972 -159.527 -62.0025 -110.341 -206.228 -42.0087 -264.346 PRESSAVG: 4696800 -19.2934 10.5864 -33.5594 10.5864 35.2163 55.5639 -33.5594 55.5638 -24.9193 GPRESSAVG: 4696800 -17.9356 13.739 -35.3903 11.001 34.7169 55.2593 -33.3525 57.9232 -26.095 TIMING: 4696800 CPU: 14103.5, 0.00298881/step Wall: 14103.5, 0.00298881/step, 0.251724 hours remaining, 210.722656 MB of memory in use. ENERGY: 4696800 770.0455 2048.3275 1938.2745 113.3527 -205936.6483 17558.3193 0.0000 0.0000 34122.7391 -149385.5896 298.0024 -183508.3288 -149285.2790 298.7046 -122.2503 -91.9744 556732.9960 -2.9988 -3.1045 PRESSURE: 4697000 72.5225 -180.03 -52.213 -180.031 45.4939 57.5982 -52.2127 57.5977 -172.993 GPRESSURE: 4697000 114.044 -315.099 -81.0063 -204.209 31.541 76.776 -33.9936 26.1537 -93.9459 PRESSAVG: 4697000 -38.4382 30.4926 19.1829 30.4925 96.7552 27.3076 19.1828 27.3075 -5.8387 GPRESSAVG: 4697000 -38.8983 30.725 21.3861 29.8361 96.598 26.4657 20.2265 25.142 -5.20866 TIMING: 4697000 CPU: 14104.1, 0.00298752/step Wall: 14104.1, 0.00298752/step, 0.25145 hours remaining, 210.722656 MB of memory in use. ENERGY: 4697000 778.0832 2119.9693 1925.6408 103.0503 -206305.7475 17836.4229 0.0000 0.0000 34220.2433 -149322.3378 298.8539 -183542.5811 -149224.2819 299.6720 -18.3254 17.2131 555526.3264 17.4928 17.4970 PRESSURE: 4697200 35.2711 27.5979 80.6966 27.5982 -185.099 -53.6356 80.6986 -53.6349 89.4992 GPRESSURE: 4697200 39.7374 65.6706 183.181 45.343 -170.483 -18.9933 -5.39517 -25.8686 165.276 PRESSAVG: 4697200 -0.0844206 31.3739 -27.0494 31.3739 -1.84009 40.3357 -27.0494 40.3357 -37.5762 GPRESSAVG: 4697200 -0.939179 31.2153 -27.2948 32.1983 -2.14273 39.3618 -28.6502 40.9407 -36.733 TIMING: 4697200 CPU: 14104.7, 0.0029894/step Wall: 14104.7, 0.0029894/step, 0.251442 hours remaining, 210.722656 MB of memory in use. ENERGY: 4697200 762.9772 2069.5808 1956.3114 109.3207 -206236.3380 17772.9389 0.0000 0.0000 34207.8698 -149357.3393 298.7458 -183565.2090 -149259.1996 299.0161 -20.1096 11.5102 557854.0851 -13.1669 -13.2716 PRESSURE: 4697400 -195.415 -37.7186 -127.452 -37.7177 -388.419 -121.768 -127.452 -121.768 155.068 GPRESSURE: 4697400 -129.208 2.05961 -134.973 -80.1138 -360.428 -173.105 -55.4444 -46.395 174.05 PRESSAVG: 4697400 40.9715 42.5538 5.4355 42.5538 -87.9346 -14.203 5.4355 -14.2029 6.49282 GPRESSAVG: 4697400 39.679 43.0398 3.41704 42.3019 -86.2684 -13.8971 6.80053 -13.4671 6.4729 TIMING: 4697400 CPU: 14105.3, 0.00299639/step Wall: 14105.3, 0.00299639/step, 0.251863 hours remaining, 210.722656 MB of memory in use. ENERGY: 4697400 755.7380 2075.4171 1944.5235 127.9718 -206135.2552 17553.6459 0.0000 0.0000 34282.4470 -149395.5119 299.3971 -183677.9589 -149297.0771 299.3588 -142.9220 -105.1955 555442.0027 -13.4901 -13.3722 PRESSURE: 4697600 -38.7104 66.931 -41.7733 66.9299 -410.665 -118.645 -41.7738 -118.645 -248.238 GPRESSURE: 4697600 -13.9457 86.4312 -147.238 50.0648 -413.883 -125.153 -48.2772 -47.106 -172.394 PRESSAVG: 4697600 69.4425 59.3868 13.5588 59.3869 -72.4326 -49.2363 13.5589 -49.2364 13.8634 GPRESSAVG: 4697600 70.8384 59.1821 16.1689 60.5949 -73.5362 -50.4653 11.9315 -48.2723 13.6601 TIMING: 4697600 CPU: 14105.9, 0.00301166/step Wall: 14105.9, 0.00301166/step, 0.252979 hours remaining, 210.722656 MB of memory in use. ENERGY: 4697600 760.7056 2129.4766 1970.2981 114.5072 -205913.6292 17278.9314 0.0000 0.0000 34166.0782 -149493.6321 298.3809 -183659.7103 -149392.5471 298.2292 -232.5378 -200.0741 556011.6062 3.6244 3.6541 PRESSURE: 4697800 20.0457 -138.045 13.6059 -138.045 54.4415 17.4105 13.6061 17.4106 -227.314 GPRESSURE: 4697800 104.116 -152.974 -10.0042 -85.0366 32.6028 16.4212 2.62974 20.8082 -185.879 PRESSAVG: 4697800 -14.9125 -1.0988 23.153 -1.09888 26.4029 25.2355 23.153 25.2355 -35.132 GPRESSAVG: 4697800 -15.6071 -1.03692 21.9156 -1.84146 27.4218 26.2729 23.6013 23.297 -35.4436 TIMING: 4697800 CPU: 14106.5, 0.00300987/step Wall: 14106.5, 0.00300987/step, 0.252662 hours remaining, 210.722656 MB of memory in use. ENERGY: 4697800 778.1355 2120.1418 1941.0579 109.6539 -206313.6347 17828.1196 0.0000 0.0000 34126.2487 -149410.2773 298.0330 -183536.5260 -149314.2787 298.9285 -50.9423 -16.3868 557557.7774 -7.8806 -7.8763 PRESSURE: 4698000 -194.162 87.781 148.21 87.7803 -281.33 14.7342 148.21 14.7346 -149.401 GPRESSURE: 4698000 -145.399 71.8785 105.545 106.467 -247.857 35.1888 143.247 -3.70595 -134.886 PRESSAVG: 4698000 75.1562 -20.4975 37.3868 -20.4974 -20.9795 16.4416 37.3868 16.4415 -57.9129 GPRESSAVG: 4698000 74.5924 -21.169 36.6494 -20.1215 -20.1746 16.8974 39.0916 17.7533 -58.5097 TIMING: 4698000 CPU: 14107.1, 0.00298843/step Wall: 14107.1, 0.00298843/step, 0.250696 hours remaining, 210.722656 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: 4698000 774.9147 2140.2907 1940.2178 125.0746 -205977.5656 17595.5205 0.0000 0.0000 33975.1765 -149426.3709 296.7137 -183401.5474 -149330.6573 298.3971 -208.2974 -176.0471 558436.3981 -1.2454 -1.3639 PRESSURE: 4698200 -287.475 -34.318 -64.1304 -34.3189 -153.114 -7.31336 -64.1311 -7.31335 -192.882 GPRESSURE: 4698200 -294.782 -26.5905 -85.2529 -59.0514 -110.485 -60.3881 -79.3996 -34.2076 -132.952 PRESSAVG: 4698200 -7.26862 -35.2723 63.1587 -35.2723 -9.30917 25.1384 63.1587 25.1384 44.1035 GPRESSAVG: 4698200 -6.67728 -35.0292 64.26 -37.0115 -10.1048 25.0675 61.3627 22.5107 43.5854 TIMING: 4698200 CPU: 14107.7, 0.0029766/step Wall: 14107.7, 0.0029766/step, 0.249538 hours remaining, 210.722656 MB of memory in use. ENERGY: 4698200 766.6767 2110.5224 1943.0479 107.6152 -205766.0461 17387.1397 0.0000 0.0000 34138.6752 -149312.3690 298.1415 -183451.0442 -149218.9207 298.6910 -211.1573 -179.4064 558523.0782 9.1752 8.9345 PRESSURE: 4698400 311.015 -78.283 -75.6153 -78.2841 169.201 25.4871 -75.6142 25.4873 297.826 GPRESSURE: 4698400 336.813 -40.4622 -98.9402 -68.9215 222.959 29.3588 -49.2515 -37.2512 314.035 PRESSAVG: 4698400 -12.5081 23.4895 13.7942 23.4895 -56.7763 -5.62844 13.7943 -5.62844 64.8635 GPRESSAVG: 4698400 -12.7483 21.6908 13.9641 25.3669 -57.0566 -5.13616 15.9464 -4.77629 64.7705 TIMING: 4698400 CPU: 14108.3, 0.00299396/step Wall: 14108.3, 0.00299396/step, 0.250827 hours remaining, 210.722656 MB of memory in use. ENERGY: 4698400 759.4855 2098.4136 1949.5252 93.4919 -206779.6890 18162.8707 0.0000 0.0000 34255.0869 -149460.8153 299.1582 -183715.9021 -149367.4823 299.6604 259.3474 291.2687 556579.8915 -1.4736 -1.6781 PRESSURE: 4698600 218.195 27.0945 -4.28047 27.0949 31.024 134.485 -4.28109 134.485 -152.625 GPRESSURE: 4698600 239.7 5.54981 -24.1811 40.7633 48.1582 191.357 32.9993 130.256 -117.404 PRESSAVG: 4698600 6.03344 -55.7289 -19.5009 -55.7289 -68.361 27.9331 -19.5009 27.933 47.3948 GPRESSAVG: 4698600 5.82578 -52.7606 -18.2513 -57.8005 -68.391 28.6167 -19.5282 27.9199 47.9529 TIMING: 4698600 CPU: 14108.9, 0.00301555/step Wall: 14108.9, 0.00301555/step, 0.252469 hours remaining, 210.722656 MB of memory in use. ENERGY: 4698600 773.7644 2117.7493 1948.6725 112.0640 -206447.6863 17810.8153 0.0000 0.0000 34086.5022 -149598.1186 297.6859 -183684.6208 -149508.1611 299.0779 32.1979 56.8179 555395.1378 -4.9776 -4.8708 PRESSURE: 4698800 103.217 21.8069 -70.3509 21.8067 -53.517 249.626 -70.3516 249.626 94.5264 GPRESSURE: 4698800 106.951 96.5274 -55.3977 26.0929 11.986 112.513 -103.456 279.771 148.487 PRESSAVG: 4698800 35.9426 -33.9991 2.59204 -33.9992 -0.946297 24.7042 2.59198 24.7042 -13.3523 GPRESSAVG: 4698800 35.7725 -36.12 1.5808 -32.693 -0.389059 21.8969 2.09985 25.5079 -13.1699 TIMING: 4698800 CPU: 14109.5, 0.00304572/step Wall: 14109.5, 0.00304572/step, 0.254825 hours remaining, 210.722656 MB of memory in use. ENERGY: 4698800 784.8026 2071.0682 1946.9036 121.7097 -206821.9446 18058.3610 0.0000 0.0000 34108.9990 -149730.1004 297.8824 -183839.0994 -149644.5813 298.4713 48.0754 89.1412 555611.2607 7.2147 7.4045 PRESSURE: 4699000 -66.0587 68.78 24.6577 68.7806 99.5052 -36.8526 24.657 -36.8534 54.5078 GPRESSURE: 4699000 -51.4469 77.3561 15.5764 60.5486 140.472 -115.095 -23.3366 -1.92093 100.64 PRESSAVG: 4699000 -42.3379 7.56475 46.5267 7.56472 -72.7495 78.447 46.5266 78.4471 89.6468 GPRESSAVG: 4699000 -41.0057 7.98101 46.2397 7.07897 -73.6113 80.04 48.4423 78.0243 89.4584 TIMING: 4699000 CPU: 14110.1, 0.00298924/step Wall: 14110.1, 0.00298924/step, 0.249934 hours remaining, 210.722656 MB of memory in use. ENERGY: 4699000 754.1120 2072.9893 1952.4789 93.4445 -206658.4835 18019.0606 0.0000 0.0000 34099.3053 -149667.0929 297.7977 -183766.3982 -149572.3886 298.2731 29.3181 63.2217 556507.9908 -8.4802 -8.3862 PRESSURE: 4699200 -334.994 34.0071 21.221 34.0074 -126.556 67.9721 21.2201 67.9716 175.713 GPRESSURE: 4699200 -213.561 -12.4737 56.0172 77.996 -98.5757 12.0415 -70.658 46.8471 127.481 PRESSAVG: 4699200 0.608454 24.8604 11.3955 24.8604 14.2522 12.1323 11.3954 12.1323 -1.93325 GPRESSAVG: 4699200 0.98614 24.8383 10.7889 22.1425 14.1213 11.1402 8.20929 10.9423 -2.04463 TIMING: 4699200 CPU: 14110.7, 0.00297997/step Wall: 14110.7, 0.00297997/step, 0.248993 hours remaining, 210.722656 MB of memory in use. ENERGY: 4699200 731.6172 2145.7924 1934.4986 103.9258 -206517.5629 17748.3069 0.0000 0.0000 34267.8081 -149585.6139 299.2693 -183853.4220 -149484.8327 298.5908 -95.2791 -61.5516 557071.0810 4.3091 4.3543 PRESSURE: 4699400 177.483 45.6927 -47.3918 45.6916 -154.973 115.501 -47.3916 115.499 131.726 GPRESSURE: 4699400 261.371 -20.0953 -35.4509 67.7468 -162.027 6.98782 -65.0195 105.834 153.38 PRESSAVG: 4699400 -10.7559 37.0188 -32.0893 37.0187 -9.39731 -18.6545 -32.0892 -18.6545 76.0179 GPRESSAVG: 4699400 -10.7771 38.4009 -30.9531 36.0309 -8.95885 -19.4218 -30.1832 -18.5116 75.7656 TIMING: 4699400 CPU: 14111.2, 0.00296104/step Wall: 14111.2, 0.00296104/step, 0.247247 hours remaining, 210.722656 MB of memory in use. ENERGY: 4699400 736.0576 2090.2148 1965.5410 114.3285 -206721.4198 17938.1990 0.0000 0.0000 33907.4986 -149969.5803 296.1226 -183877.0789 -149872.8728 297.8234 51.4121 84.2413 555571.4664 18.6216 18.6766 PRESSURE: 4699600 -134.191 -20.7977 44.4043 -20.7967 307.438 -37.4386 44.4046 -37.4387 18.0829 GPRESSURE: 4699600 -90.3102 2.30464 -22.3804 -30.3817 319.25 -31.6131 3.47333 -58.3543 65.8455 PRESSAVG: 4699600 -23.8474 6.9259 -16.608 6.9258 28.8727 -24.5127 -16.608 -24.5125 4.75799 GPRESSAVG: 4699600 -25.5596 4.88607 -20.5704 9.69267 29.5877 -22.8057 -18.3524 -24.7603 6.04602 TIMING: 4699600 CPU: 14111.8, 0.0029857/step Wall: 14111.8, 0.0029857/step, 0.24914 hours remaining, 210.722656 MB of memory in use. ENERGY: 4699600 737.1743 2069.8914 1921.7588 106.7135 -206760.8717 17838.2582 0.0000 0.0000 34057.6356 -150029.4399 297.4338 -184087.0755 -149930.8346 296.8493 63.7765 98.2619 556330.7166 3.2611 3.3580 PRESSURE: 4699800 -174.422 138.409 97.5678 138.41 175.545 -104.868 97.5674 -104.871 36.6673 GPRESSURE: 4699800 -145.257 158.583 150.656 62.8704 192.572 -73.1209 71.9522 -92.0395 93.3753 PRESSAVG: 4699800 15.5264 36.0166 7.09001 36.0166 2.37714 -71.112 7.0901 -71.1121 -17.288 GPRESSAVG: 4699800 16.7816 35.8742 11.3315 38.1858 0.103518 -71.2762 8.43266 -70.2802 -16.6145 TIMING: 4699800 CPU: 14112.4, 0.00298563/step Wall: 14112.4, 0.00298563/step, 0.248968 hours remaining, 210.722656 MB of memory in use. ENERGY: 4699800 768.6170 2084.8167 1926.6075 106.7493 -206999.6148 18013.1787 0.0000 0.0000 34093.1392 -150006.5063 297.7439 -184099.6456 -149904.2264 297.1398 12.5965 46.8968 556562.1862 0.2052 0.0902 PRESSURE: 4700000 196.752 -108.105 107.03 -108.106 -204.304 -62.3919 107.03 -62.3925 217.829 GPRESSURE: 4700000 176.564 -58.2235 55.1623 -109.699 -151.969 -113.567 174.852 -35.905 289.691 PRESSAVG: 4700000 -3.43519 9.65384 32.5323 9.65391 -20.2134 -68.4037 32.5323 -68.4038 17.5613 GPRESSAVG: 4700000 -4.98228 11.1635 30.3267 7.99262 -19.0742 -67.1983 33.2265 -67.723 17.577 TIMING: 4700000 CPU: 14113, 0.00298163/step Wall: 14113, 0.00298163/step, 0.248469 hours remaining, 210.722656 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: 4700000 731.5779 2114.1392 1961.0351 118.8080 -207030.8123 18086.9031 0.0000 0.0000 33998.1659 -150020.1831 296.9144 -184018.3490 -149923.7486 297.3927 70.0923 104.7621 555128.9433 -2.0291 -2.1598 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4700000 WRITING COORDINATES TO DCD FILE MD.3.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 -342.492 84.6017 135.325 84.6027 23.5247 202.959 135.326 202.958 -293.484 GPRESSURE: 4700200 -274.321 39.9594 8.15435 110.565 20.4865 143.107 188.529 160.393 -270.535 PRESSAVG: 4700200 -29.024 -1.41768 -9.36483 -1.4177 42.9509 15.5129 -9.3649 15.5129 -37.4381 GPRESSAVG: 4700200 -28.8265 -2.84349 -8.58696 0.218769 43.2659 14.0184 -11.2128 13.795 -37.0056 TIMING: 4700200 CPU: 14113.7, 0.00346592/step Wall: 14113.7, 0.00346592/step, 0.288634 hours remaining, 210.722656 MB of memory in use. ENERGY: 4700200 746.4471 2135.6587 1966.7572 115.6235 -206931.5306 17763.2218 0.0000 0.0000 34078.1634 -150125.6589 297.6131 -184203.8223 -150032.2211 297.2160 -204.1506 -174.7897 555961.3974 -7.8370 -7.5221 LDB: ============= START OF LOAD BALANCING ============== 14117.3 LDB: ============== END OF LOAD BALANCING =============== 14117.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14117.3 LDB: ============= START OF LOAD BALANCING ============== 14117.6 LDB: Largest compute 4774 load 0.026555 is 22.5% of average load 0.118278 LDB: Average compute 0.001730 is 1.5% of average load 0.118278 LDB: TIME 14117.6 LOAD: AVG 0.118278 MAX 0.216513 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.746 MB LDB: TIME 14117.6 LOAD: AVG 0.118278 MAX 0.216513 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.75 MB LDB: TIME 14117.6 LOAD: AVG 0.118278 MAX 0.216513 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.75 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14117.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14117.6 PRESSURE: 4700400 -5.71274 73.4761 16.9493 73.4764 45.246 -3.5012 16.9483 -3.50229 -115.224 GPRESSURE: 4700400 -42.4494 86.6811 8.0297 98.5555 104.924 84.8137 100.682 -22.0779 -29.4018 PRESSAVG: 4700400 70.3924 14.4602 11.7676 14.4601 5.2126 13.078 11.7676 13.0782 -43.9309 GPRESSAVG: 4700400 71.8574 14.6128 11.2153 13.9154 5.23472 14.2547 10.4297 12.1447 -45.3072 TIMING: 4700400 CPU: 14114.3, 0.00307018/step Wall: 14114.3, 0.00307018/step, 0.255507 hours remaining, 209.167969 MB of memory in use. ENERGY: 4700400 749.5216 2070.2077 1951.3704 112.6458 -207002.7240 18081.0887 0.0000 0.0000 34057.1538 -149980.7360 297.4296 -184037.8898 -149886.8628 297.2151 -25.2303 11.0241 557513.9915 10.5580 10.5950 PRESSURE: 4700600 -4.68174 37.3621 5.84307 37.3634 14.4262 -103.358 5.84297 -103.359 -45.3752 GPRESSURE: 4700600 9.45246 48.6446 6.40026 62.229 36.8879 -44.6027 -7.33316 -185.755 32.6279 PRESSAVG: 4700600 -4.69359 14.0689 -16.5261 14.0689 38.9149 7.19013 -16.526 7.19021 -53.9133 GPRESSAVG: 4700600 -6.09777 16.9107 -15.6847 13.3589 38.292 6.50609 -15.0492 7.91809 -52.0837 TIMING: 4700600 CPU: 14114.9, 0.00299968/step Wall: 14114.9, 0.00299968/step, 0.249473 hours remaining, 209.167969 MB of memory in use. ENERGY: 4700600 699.5784 2125.8284 1946.6985 111.4676 -206893.1263 17923.5320 0.0000 0.0000 34229.6305 -149856.3910 298.9359 -184086.0215 -149758.7858 297.9193 -11.8769 26.3228 557636.3373 -6.5640 -6.6298 PRESSURE: 4700800 -168.398 -116.17 229.26 -116.171 44.2964 51.6339 229.26 51.634 44.0701 GPRESSURE: 4700800 -146.686 -40.6705 157.952 -178.37 45.746 14.8619 218.525 115.636 118.272 PRESSAVG: 4700800 0.310548 -19.0616 38.7905 -19.0616 31.7687 23.248 38.7904 23.2481 28.7583 GPRESSAVG: 4700800 0.658973 -20.1985 38.2524 -18.5503 31.4844 21.9123 38.2707 24.1094 28.604 TIMING: 4700800 CPU: 14115.5, 0.00294413/step Wall: 14115.5, 0.00294413/step, 0.24469 hours remaining, 209.167969 MB of memory in use. ENERGY: 4700800 754.8833 2125.3415 1920.2935 97.4536 -206905.9344 17996.0963 0.0000 0.0000 34125.8103 -149886.0559 298.0292 -184011.8662 -149787.0749 297.6052 -26.6771 5.7774 558559.2543 20.2792 20.2491 PRESSURE: 4701000 -101.062 -47.9054 -62.4294 -47.906 -281.579 -50.3852 -62.43 -50.3839 -305.233 GPRESSURE: 4701000 -46.8036 -79.8907 -115.14 -29.9802 -258.952 -116.609 -126.281 -20.5511 -298.854 PRESSAVG: 4701000 -17.925 -15.7431 -19.2445 -15.743 -7.56881 -30.0639 -19.2445 -30.0639 -12.7425 GPRESSAVG: 4701000 -18.2387 -17.5395 -17.5121 -15.4871 -6.62539 -28.8414 -21.0697 -29.6849 -13.4769 TIMING: 4701000 CPU: 14116.1, 0.00297147/step Wall: 14116.1, 0.00297147/step, 0.246797 hours remaining, 209.359375 MB of memory in use. ENERGY: 4701000 773.2107 2112.5386 1934.9036 101.4097 -206698.9550 17570.6761 0.0000 0.0000 34335.0873 -149871.1291 299.8569 -184206.2164 -149761.0391 297.4999 -229.2911 -201.5363 558097.1741 -12.7454 -12.7803 PRESSURE: 4701200 -2.54376 61.5229 22.6132 61.5221 45.0035 -83.0755 22.6157 -83.0756 34.5838 GPRESSURE: 4701200 24.0392 53.7303 41.0881 93.6277 83.5174 -35.8143 85.6682 -69.0736 58.052 PRESSAVG: 4701200 22.2228 15.6497 35.1875 15.6496 -8.62401 -6.84495 35.1876 -6.84485 -11.4536 GPRESSAVG: 4701200 21.8893 17.3409 35.723 14.9209 -9.20495 -5.38291 35.3405 -7.34953 -10.5107 TIMING: 4701200 CPU: 14116.7, 0.00296382/step Wall: 14116.7, 0.00296382/step, 0.245997 hours remaining, 209.359375 MB of memory in use. ENERGY: 4701200 764.3407 2114.5375 1931.6223 120.1461 -206998.5176 18109.0381 0.0000 0.0000 34103.8224 -149855.0105 297.8372 -183958.8329 -149764.3727 297.8569 25.6812 55.2028 556502.2965 0.7151 0.7245 PRESSURE: 4701400 111.534 127.477 216.734 127.478 -38.6791 69.1469 216.733 69.147 227.733 GPRESSURE: 4701400 128.192 185.871 219.571 74.2732 43.4217 110.994 197.883 44.9188 247.122 PRESSAVG: 4701400 41.4843 -21.2273 21.8535 -21.2273 20.0151 9.36187 21.8535 9.36188 -63.5748 GPRESSAVG: 4701400 41.8669 -21.0438 22.7203 -20.4103 21.2497 7.42088 22.8916 10.1802 -65.1178 TIMING: 4701400 CPU: 14117.3, 0.00297265/step Wall: 14117.3, 0.00297265/step, 0.246564 hours remaining, 209.359375 MB of memory in use. ENERGY: 4701400 757.0991 2069.5455 1956.9911 109.0756 -206740.4458 18023.0490 0.0000 0.0000 34106.0118 -149718.6737 297.8563 -183824.6855 -149623.2231 297.3423 100.1960 139.5787 556833.2503 -0.6918 -0.6671 PRESSURE: 4701600 170.423 71.4759 -11.649 71.4761 40.6929 10.1153 -11.65 10.1159 201.184 GPRESSURE: 4701600 177.039 104.656 -53.1912 99.0106 111.129 -23.8492 7.59909 40.449 222.229 PRESSAVG: 4701600 -9.958 52.3044 -30.8499 52.3044 37.4736 27.5236 -30.8499 27.5237 -24.9837 GPRESSAVG: 4701600 -9.7236 51.5802 -33.393 52.7018 37.6866 26.8419 -31.1247 29.382 -25.3475 TIMING: 4701600 CPU: 14117.9, 0.00301456/step Wall: 14117.9, 0.00301456/step, 0.249874 hours remaining, 209.359375 MB of memory in use. ENERGY: 4701600 713.6193 2116.2978 1928.6799 114.3281 -206571.0279 18020.2968 0.0000 0.0000 34022.4891 -149655.3169 297.1269 -183677.8060 -149561.3792 297.6037 137.4331 170.1323 556948.1779 0.8440 0.8718 PRESSURE: 4701800 144.297 26.6891 20.5947 26.6883 -196.614 65.9264 20.5956 65.9271 -169.139 GPRESSURE: 4701800 194.227 128.878 -79.6848 40.1317 -176.397 60.278 131.431 13.0358 -136.447 PRESSAVG: 4701800 37.6734 65.8815 -0.569802 65.8815 -7.06408 0.0585068 -0.569715 0.0584457 -31.7737 GPRESSAVG: 4701800 38.1908 66.7373 -0.27772 64.1887 -9.27051 2.75789 -1.1496 -2.3012 -30.4152 TIMING: 4701800 CPU: 14118.5, 0.00299065/step Wall: 14118.5, 0.00299065/step, 0.247725 hours remaining, 209.359375 MB of memory in use. ENERGY: 4701800 732.1789 2061.5601 1935.8965 103.5804 -206360.1421 17798.8266 0.0000 0.0000 34089.6017 -149638.4979 297.7130 -183728.0996 -149541.1902 297.9106 -73.8186 -39.5388 556970.5703 -0.3881 -0.4983 PRESSURE: 4702000 -20.544 99.2937 55.1396 99.2942 167.704 173.234 55.1396 173.233 240.113 GPRESSURE: 4702000 11.7108 86.338 99.7665 71.1892 201.161 149.136 -26.1727 121.075 266.334 PRESSAVG: 4702000 -30.8363 21.0601 -19.1414 21.0601 58.8745 18.1844 -19.1414 18.1844 -0.850739 GPRESSAVG: 4702000 -31.7817 20.2771 -19.3858 20.2948 61.043 17.2839 -18.0995 19.1185 -2.12009 TIMING: 4702000 CPU: 14119.1, 0.00300432/step Wall: 14119.1, 0.00300432/step, 0.248691 hours remaining, 209.359375 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: 4702000 766.1172 2038.9217 1929.8269 102.4684 -206527.9273 17972.5337 0.0000 0.0000 34120.3201 -149597.7393 297.9812 -183718.0594 -149502.0195 298.0815 129.0912 159.7355 555115.1614 9.0625 9.0470 PRESSURE: 4702200 24.9921 75.1385 -28.5683 75.1379 -152.787 55.3285 -28.5675 55.3285 19.6201 GPRESSURE: 4702200 -2.53214 97.0983 -41.8276 148.39 -133.709 75.2705 -65.0363 57.3118 115.223 PRESSAVG: 4702200 -1.33137 18.0509 19.5398 18.0509 -25.3472 -14.4084 19.5399 -14.4084 56.9555 GPRESSAVG: 4702200 -1.56969 18.1888 21.0655 19.6605 -26.0794 -16.456 18.2556 -14.3451 57.6791 TIMING: 4702200 CPU: 14119.7, 0.00298478/step Wall: 14119.7, 0.00298478/step, 0.246908 hours remaining, 209.359375 MB of memory in use. ENERGY: 4702200 731.8891 2073.0672 1942.3136 108.8192 -206165.8655 17553.1597 0.0000 0.0000 34148.4746 -149608.1420 298.2271 -183756.6166 -149514.6118 298.5188 -36.0583 -7.0062 555872.3218 10.0923 10.0100 PRESSURE: 4702400 -222.817 17.6049 -18.0263 17.6062 -181.25 -115.946 -18.0266 -115.947 -334.236 GPRESSURE: 4702400 -241.308 -26.2282 41.5149 20.27 -119.874 -130.667 -4.12924 -63.111 -271.794 PRESSAVG: 4702400 36.1397 25.5933 -27.5243 25.5932 -44.1478 -43.9871 -27.5244 -43.9871 4.67121 GPRESSAVG: 4702400 36.7803 24.9498 -29.8446 26.0023 -44.0027 -43.0968 -27.6194 -44.6064 3.99243 TIMING: 4702400 CPU: 14120.3, 0.00298915/step Wall: 14120.3, 0.00298915/step, 0.247103 hours remaining, 209.359375 MB of memory in use. ENERGY: 4702400 758.8037 2010.0829 1939.7203 97.8884 -206259.9546 17616.9817 0.0000 0.0000 34089.3981 -149747.0795 297.7112 -183836.4776 -149647.1916 298.3400 -246.1012 -210.9923 556641.1071 -1.1123 -1.0766 PRESSURE: 4702600 -43.9609 -3.77617 -28.4946 -3.77583 -226.895 -30.0236 -28.4945 -30.0228 -212.301 GPRESSURE: 4702600 16.6071 -8.49323 -134.619 71.5795 -220.936 72.1287 11.6481 -12.0467 -174.984 PRESSAVG: 4702600 -14.3773 -10.3613 14.3345 -10.3614 -7.25123 -18.77 14.3345 -18.7698 28.4615 GPRESSAVG: 4702600 -14.1875 -7.74166 14.0592 -12.8989 -6.89434 -19.1111 14.888 -18.9133 28.6721 TIMING: 4702600 CPU: 14120.9, 0.00300182/step Wall: 14120.9, 0.00300182/step, 0.247984 hours remaining, 209.359375 MB of memory in use. ENERGY: 4702600 782.4267 2089.6571 1913.3909 115.9752 -206491.3636 17822.9242 0.0000 0.0000 34060.6546 -149706.3349 297.4602 -183766.9895 -149614.9846 297.7742 -161.0525 -126.4374 556587.9820 2.2777 2.5301 PRESSURE: 4702800 -21.3056 93.9886 72.0255 93.99 -226.155 105.415 72.0254 105.415 -326.839 GPRESSURE: 4702800 29.4907 94.808 110.611 67.3162 -204.721 156.199 28.9147 122.364 -311.851 PRESSAVG: 4702800 -41.3441 0.143607 33.1629 0.143673 17.324 6.58386 33.1629 6.58377 25.771 GPRESSAVG: 4702800 -40.5814 -1.31072 35.4374 2.48768 16.9237 6.77913 31.8259 4.19278 24.8578 TIMING: 4702800 CPU: 14121.5, 0.00295138/step Wall: 14121.5, 0.00295138/step, 0.243652 hours remaining, 209.359375 MB of memory in use. ENERGY: 4702800 739.1785 2122.5852 1925.8748 106.8645 -206561.9056 17691.2130 0.0000 0.0000 34390.2060 -149585.9836 300.3382 -183976.1896 -149495.2485 297.9699 -191.4333 -162.3603 557499.3966 0.5837 0.4000 PRESSURE: 4703000 22.569 200.798 -67.9153 200.797 6.80246 -18.3673 -67.9148 -18.3665 -184.789 GPRESSURE: 4703000 45.0474 155.672 -34.377 157.312 54.5791 -64.2013 -7.40344 -77.8199 -164.012 PRESSAVG: 4703000 -26.4581 22.9086 -6.47485 22.9086 29.1232 -10.9431 -6.47477 -10.9431 14.185 GPRESSAVG: 4703000 -27.776 22.0527 -6.6842 21.6967 29.4952 -11.0606 -5.18372 -10.0191 14.9418 TIMING: 4703000 CPU: 14122.1, 0.00294419/step Wall: 14122.1, 0.00294419/step, 0.242896 hours remaining, 209.359375 MB of memory in use. ENERGY: 4703000 760.5781 2074.9999 1942.1337 110.8135 -206354.2695 17838.9721 0.0000 0.0000 34109.4608 -149517.3115 297.8864 -183626.7723 -149413.8395 298.5107 -51.8058 -21.4617 558100.6013 5.6167 5.5537 PRESSURE: 4703200 -240.967 54.9973 -62.0059 54.9978 -207.802 -26.0013 -62.0065 -26.002 -80.0201 GPRESSURE: 4703200 -218.379 63.024 -75.5407 52.9834 -195.546 12.2299 -11.1325 21.82 -25.8728 PRESSAVG: 4703200 -47.9183 50.0954 -22.6261 50.0954 46.039 -6.38151 -22.6261 -6.3815 -8.07982 GPRESSAVG: 4703200 -47.7158 50.5677 -24.04 52.0924 44.2454 -9.61088 -20.705 -4.46623 -6.74917 TIMING: 4703200 CPU: 14122.7, 0.00299012/step Wall: 14122.7, 0.00299012/step, 0.246519 hours remaining, 209.359375 MB of memory in use. ENERGY: 4703200 746.3395 2073.2023 1914.0624 112.4777 -206120.9516 17668.7728 0.0000 0.0000 34221.8715 -149384.2255 298.8681 -183606.0969 -149295.7238 298.5949 -176.2631 -146.5991 558675.3345 -3.3197 -3.4065 PRESSURE: 4703400 -0.928175 2.71108 14.9656 2.71159 -19.933 -109.964 14.9653 -109.964 -16.2261 GPRESSURE: 4703400 13.5576 -34.6554 45.5288 12.7002 39.8186 -42.8795 78.0328 -79.4538 3.72995 PRESSAVG: 4703400 -13.3573 1.69107 -11.6491 1.6911 59.7452 34.1524 -11.649 34.1524 -46.6149 GPRESSAVG: 4703400 -13.7157 4.00145 -10.9619 -0.627636 60.5265 36.0459 -13.2721 33.2314 -47.3482 TIMING: 4703400 CPU: 14123.3, 0.00297542/step Wall: 14123.3, 0.00297542/step, 0.245141 hours remaining, 209.359375 MB of memory in use. ENERGY: 4703400 716.0490 2094.3872 1956.4566 120.0581 -206106.3830 17738.7150 0.0000 0.0000 34049.8572 -149430.8600 297.3659 -183480.7172 -149331.8150 299.1437 -12.3624 19.0354 557530.9779 -0.0757 -0.1791 PRESSURE: 4703600 13.2325 40.4639 65.4269 40.4636 -7.33116 124.119 65.4255 124.118 43.0387 GPRESSURE: 4703600 17.5066 -10.8645 116.259 99.8298 41.392 99.8006 118.239 120.243 94.1667 PRESSAVG: 4703600 -1.64244 -9.53325 -34.7483 -9.53325 -18.9218 1.81152 -34.7483 1.81145 25.5051 GPRESSAVG: 4703600 -1.69614 -9.47829 -33.5924 -9.29404 -19.6931 2.91563 -34.0177 1.10937 26.6879 TIMING: 4703600 CPU: 14123.9, 0.00300387/step Wall: 14123.9, 0.00300387/step, 0.247319 hours remaining, 209.359375 MB of memory in use. ENERGY: 4703600 703.1706 2159.0227 1936.3638 108.3855 -206399.2329 17922.9390 0.0000 0.0000 34199.3296 -149370.0215 298.6713 -183569.3511 -149274.4857 298.3490 16.3133 51.0218 556811.8847 1.6470 1.7662 PRESSURE: 4703800 -39.4864 -74.7177 -43.8098 -74.7178 -140.992 63.859 -43.8097 63.8589 171.572 GPRESSURE: 4703800 -41.718 -24.4293 -127.09 -101.726 -84.8233 29.6569 21.1811 80.788 216.209 PRESSAVG: 4703800 11.1948 16.2505 -7.47199 16.2504 -38.3695 1.2165 -7.47211 1.21647 20.0999 GPRESSAVG: 4703800 10.4473 14.371 -8.53046 17.4759 -36.2153 1.90471 -6.68193 0.824741 19.2447 TIMING: 4703800 CPU: 14124.5, 0.00300806/step Wall: 14124.5, 0.00300806/step, 0.247497 hours remaining, 209.390625 MB of memory in use. ENERGY: 4703800 723.0711 2170.1776 1950.2429 110.2788 -206403.8349 17813.8043 0.0000 0.0000 34384.6195 -149251.6407 300.2894 -183636.2602 -149157.5047 299.7347 -2.9688 29.8891 556711.9860 -2.3583 -2.1744 PRESSURE: 4704000 -263.976 61.8134 73.752 61.8133 -62.0283 -8.63802 73.7515 -8.63849 12.3224 GPRESSURE: 4704000 -230.122 -0.123236 -39.448 105.648 0.0763648 5.75499 42.7347 32.6873 -0.656276 PRESSAVG: 4704000 31.4864 49.2095 -15.1116 49.2094 25.6804 44.2166 -15.1116 44.2165 -17.6972 GPRESSAVG: 4704000 31.8117 50.0388 -14.8667 46.8374 24.7781 43.244 -16.4468 47.2616 -17.3421 TIMING: 4704000 CPU: 14125.1, 0.00299989/step Wall: 14125.1, 0.00299989/step, 0.246657 hours remaining, 209.390625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4704000 714.6495 2112.5268 1947.3989 114.7058 -205960.4067 17553.7506 0.0000 0.0000 34282.7163 -149234.6589 299.3995 -183517.3752 -149144.1222 299.4851 -104.5606 -76.9006 557871.9993 13.1565 13.0826 PRESSURE: 4704200 68.4728 -30.0879 101.9 -30.0886 55.9938 -62.5032 101.901 -62.5033 174.336 GPRESSURE: 4704200 138.633 -59.7463 102.874 -26.7099 100.811 4.27599 157.561 37.1406 150.335 PRESSAVG: 4704200 23.3799 -5.57308 -60.5229 -5.57309 39.168 5.95247 -60.523 5.95252 -51.1045 GPRESSAVG: 4704200 22.777 -3.76456 -60.3399 -5.96609 39.1378 5.00133 -60.365 4.101 -50.2087 TIMING: 4704200 CPU: 14125.7, 0.00298858/step Wall: 14125.7, 0.00298858/step, 0.245562 hours remaining, 209.390625 MB of memory in use. ENERGY: 4704200 746.2301 2094.1923 1943.7146 126.9556 -206257.9904 17970.7847 0.0000 0.0000 34196.2463 -149179.8668 298.6443 -183376.1130 -149080.5325 299.4356 99.6007 129.9262 557080.9561 3.8144 3.9021 LDB: ============= START OF LOAD BALANCING ============== 14129.2 LDB: ============== END OF LOAD BALANCING =============== 14129.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14129.2 LDB: ============= START OF LOAD BALANCING ============== 14129.5 LDB: Largest compute 4774 load 0.026630 is 22.5% of average load 0.118265 LDB: Average compute 0.001735 is 1.5% of average load 0.118265 LDB: TIME 14129.5 LOAD: AVG 0.118265 MAX 0.215802 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.637 MB LDB: TIME 14129.5 LOAD: AVG 0.118265 MAX 0.215802 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.637 MB LDB: TIME 14129.5 LOAD: AVG 0.118265 MAX 0.215802 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.637 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14129.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14129.5 PRESSURE: 4704400 -69.6264 -39.2937 -13.0455 -39.2927 -427.791 -96.0492 -13.0454 -96.0512 -190.293 GPRESSURE: 4704400 -40.6824 -56.7323 -129.995 -17.7785 -341.036 -76.4467 11.3439 -92.4488 -204.512 PRESSAVG: 4704400 3.20797 -26.0352 -69.2696 -26.0352 -40.4302 13.9004 -69.2696 13.9004 3.27176 GPRESSAVG: 4704400 4.08996 -28.7758 -68.1844 -23.7772 -39.4694 15.383 -70.0063 12.3209 1.33126 TIMING: 4704400 CPU: 14126.3, 0.00307527/step Wall: 14126.3, 0.00307527/step, 0.252513 hours remaining, 211.628906 MB of memory in use. ENERGY: 4704400 740.5329 2147.3756 1924.9657 112.6255 -205586.3804 17286.5924 0.0000 0.0000 34371.0133 -149003.2750 300.1706 -183374.2883 -148904.2397 299.4394 -229.2365 -195.4102 557287.2628 -11.3168 -11.3494 PRESSURE: 4704600 -157.974 -69.6778 -11.6217 -69.6776 105.975 -50.5622 -11.6209 -50.5602 -18.1058 GPRESSURE: 4704600 -134.251 -40.9795 75.0956 -65.1384 180.519 -78.0725 -79.4401 29.8386 -17.9052 PRESSAVG: 4704600 -12.5546 -9.17999 -62.7301 -9.17996 20.7085 -30.5902 -62.7301 -30.5903 32.5707 GPRESSAVG: 4704600 -12.1515 -7.17258 -63.258 -10.2078 20.61 -33.167 -61.8344 -27.8224 32.211 TIMING: 4704600 CPU: 14126.9, 0.0029802/step Wall: 14126.9, 0.0029802/step, 0.244542 hours remaining, 211.628906 MB of memory in use. ENERGY: 4704600 771.1696 2101.0470 1915.0004 119.0388 -206172.9745 17838.5961 0.0000 0.0000 34415.4783 -149012.6443 300.5589 -183428.1226 -148916.1183 300.6397 -23.3681 9.4543 558175.1201 13.5748 13.5565 PRESSURE: 4704800 -16.7684 74.3233 -302.214 74.3226 114.043 68.0275 -302.216 68.0284 -339.934 GPRESSURE: 4704800 -31.6756 47.6701 -339 109.58 159.323 60.0907 -374.462 27.2981 -278.249 PRESSAVG: 4704800 -20.6502 55.544 -61.4508 55.544 -57.0896 -2.68566 -61.4508 -2.68552 68.4444 GPRESSAVG: 4704800 -20.6512 54.8842 -62.4944 56.1392 -56.8831 -2.47676 -62.3818 -3.81314 68.7307 TIMING: 4704800 CPU: 14127.5, 0.00298999/step Wall: 14127.5, 0.00298999/step, 0.245179 hours remaining, 211.628906 MB of memory in use. ENERGY: 4704800 768.9320 2109.3169 1935.1363 120.1887 -206312.3225 17783.7891 0.0000 0.0000 34517.9683 -149076.9914 301.4540 -183594.9596 -148974.9889 299.5126 -80.8864 -50.2006 558002.8302 -3.0985 -2.9345 PRESSURE: 4705000 1.40898 34.2113 -95.7515 34.2113 109.947 -51.8161 -95.7507 -51.816 110.449 GPRESSURE: 4705000 79.2799 -27.7967 -22.6403 123.672 128.286 -91.0079 -114.153 25.8891 108.957 PRESSAVG: 4705000 -2.97195 -41.9264 -37.7011 -41.9265 -3.80472 13.1853 -37.701 13.1853 -49.7518 GPRESSAVG: 4705000 -3.46184 -42.4713 -36.7697 -40.635 -3.8896 13.931 -36.8476 14.5918 -49.1159 TIMING: 4705000 CPU: 14128.1, 0.00299596/step Wall: 14128.1, 0.00299596/step, 0.245502 hours remaining, 211.628906 MB of memory in use. ENERGY: 4705000 735.7116 2104.9402 1957.2795 123.4046 -206392.0128 17978.2149 0.0000 0.0000 34270.8195 -149221.6425 299.2956 -183492.4619 -149134.3483 299.4400 73.9351 105.5078 557069.7692 -18.8428 -18.8224 PRESSURE: 4705200 -60.3022 -61.5182 -170.382 -61.5185 -63.4562 162.634 -170.382 162.635 102.82 GPRESSURE: 4705200 9.61609 -111.584 -136.756 13.6124 -93.5677 143.285 -210.2 135.682 153.849 PRESSAVG: 4705200 -23.7753 5.20824 1.92991 5.20838 35.3984 -44.2276 1.92994 -44.2276 15.3903 GPRESSAVG: 4705200 -21.4861 5.07637 0.391418 3.84647 34.2548 -42.1251 1.97939 -44.6569 14.07 TIMING: 4705200 CPU: 14128.7, 0.00301131/step Wall: 14128.7, 0.00301131/step, 0.246593 hours remaining, 211.628906 MB of memory in use. ENERGY: 4705200 776.0488 2148.7527 1939.6699 113.6177 -206218.0903 17809.8119 0.0000 0.0000 34131.1142 -149299.0751 298.0755 -183430.1893 -149202.6726 299.4944 -6.9797 23.2992 557162.8412 9.0045 8.9462 PRESSURE: 4705400 -217.714 19.1882 239.674 19.1892 22.3165 272.156 239.673 272.155 -79.4165 GPRESSURE: 4705400 -218.183 71.1824 238.409 -0.606188 77.5683 208.763 203.107 276.692 -35.4734 PRESSAVG: 4705400 -13.6507 12.6849 -69.8028 12.6849 23.6662 -39.2351 -69.8029 -39.2351 57.2532 GPRESSAVG: 4705400 -14.6107 12.5518 -68.7291 13.6045 23.4457 -39.9558 -69.5007 -38.8284 58.8333 TIMING: 4705400 CPU: 14129.3, 0.00299432/step Wall: 14129.3, 0.00299432/step, 0.245035 hours remaining, 211.628906 MB of memory in use. ENERGY: 4705400 786.8510 2050.5688 1953.4412 120.8615 -206328.8632 17770.3564 0.0000 0.0000 34205.7417 -149441.0426 298.7272 -183646.7843 -149343.7245 298.1773 -91.6046 -58.6961 557683.2215 22.4229 22.5561 PRESSURE: 4705600 198.192 -314.368 -201.195 -314.368 338.434 -49.0505 -201.196 -49.0483 137.188 GPRESSURE: 4705600 230.788 -305.9 -268.242 -356.472 359.977 -150.523 -147.445 -20.9616 186.614 PRESSAVG: 4705600 -36.956 40.4056 -41.1222 40.4055 -11.9721 -52.9729 -41.1222 -52.9731 27.8249 GPRESSAVG: 4705600 -38.3085 40.7075 -41.5518 40.2198 -10.4135 -55.555 -41.674 -52.8998 28.0962 TIMING: 4705600 CPU: 14129.9, 0.00299305/step Wall: 14129.9, 0.00299305/step, 0.244765 hours remaining, 211.832031 MB of memory in use. ENERGY: 4705600 759.8263 2157.6398 1920.8873 110.2851 -207037.9476 18300.9095 0.0000 0.0000 34314.2708 -149474.1287 299.6751 -183788.3996 -149371.8275 298.7262 224.6046 259.1262 556779.7632 -7.0344 -6.8753 PRESSURE: 4705800 92.0869 -139.53 52.1014 -139.53 215.301 41.5771 52.1005 41.5778 367.955 GPRESSURE: 4705800 127.458 -106.782 26.1095 -131.926 215.474 -1.68025 -1.37927 12.8208 440.449 PRESSAVG: 4705800 -67.4084 0.30232 1.76419 0.302372 -9.96309 -17.3712 1.76415 -17.3713 97.6836 GPRESSAVG: 4705800 -67.0598 -0.208381 2.44856 1.46327 -10.2752 -17.092 0.14999 -16.8448 97.6206 TIMING: 4705800 CPU: 14130.5, 0.00300425/step Wall: 14130.5, 0.00300425/step, 0.245514 hours remaining, 211.832031 MB of memory in use. ENERGY: 4705800 761.6241 2005.0777 1956.8245 114.9167 -206739.7184 18098.0680 0.0000 0.0000 34392.6380 -149410.5694 300.3595 -183803.2074 -149312.9511 299.7281 225.1141 261.1271 554812.6722 6.7707 6.7619 PRESSURE: 4706000 -173.486 2.98907 -202.806 2.98942 -152.386 -42.7309 -202.805 -42.7297 -272.792 GPRESSURE: 4706000 -106.982 -15.5484 -131.796 -7.33418 -96.6034 -46.9491 -160.525 -70.8907 -289.701 PRESSAVG: 4706000 -25.8657 -32.2828 18.0517 -32.2828 45.9607 -18.7597 18.0517 -18.7598 20.0886 GPRESSAVG: 4706000 -26.0362 -32.6238 17.0065 -32.954 45.3411 -17.0046 19.6033 -19.0959 20.7339 TIMING: 4706000 CPU: 14131.1, 0.0030418/step Wall: 14131.1, 0.0030418/step, 0.248414 hours remaining, 211.832031 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: 4706000 762.5900 2123.8470 1953.4503 119.8472 -205796.5169 17441.0558 0.0000 0.0000 34067.2559 -149328.4707 297.5178 -183395.7265 -149228.8275 299.0526 -199.5548 -164.4288 557181.0710 13.3945 13.3463 PRESSURE: 4706200 70.755 -24.8694 -259.213 -24.8692 -298.646 119.465 -259.213 119.464 59.8655 GPRESSURE: 4706200 79.1174 -26.0046 -242.081 27.7675 -225.818 127.879 -291.329 70.81 70.2732 PRESSAVG: 4706200 22.3755 -10.3774 -40.9026 -10.3774 18.7901 -3.45625 -40.9024 -3.45638 -18.5252 GPRESSAVG: 4706200 21.7514 -11.3931 -38.7579 -10.495 20.3738 -1.82361 -41.2597 -6.25402 -20.0509 TIMING: 4706200 CPU: 14131.7, 0.0029732/step Wall: 14131.7, 0.0029732/step, 0.242646 hours remaining, 211.832031 MB of memory in use. ENERGY: 4706200 735.2597 2135.2699 1960.3689 117.3785 -206266.2332 17642.9810 0.0000 0.0000 34267.6285 -149407.3466 299.2677 -183674.9751 -149308.2203 299.5829 -56.0084 -25.4757 556240.2588 7.5468 7.3581 PRESSURE: 4706400 -162.899 -54.901 -106.543 -54.9004 15.6453 49.4205 -106.543 49.4192 209.645 GPRESSURE: 4706400 -141.252 -58.6901 -177.602 6.83417 83.9679 70.2968 -98.5401 -27.8525 234.361 PRESSAVG: 4706400 -36.5632 -29.2585 -28.2937 -29.2586 21.652 -4.11006 -28.2936 -4.10998 3.41606 GPRESSAVG: 4706400 -34.6063 -25.7831 -29.4164 -30.786 20.1921 -3.64988 -26.1624 -1.97576 3.63452 TIMING: 4706400 CPU: 14132.3, 0.00298055/step Wall: 14132.3, 0.00298055/step, 0.24308 hours remaining, 211.832031 MB of memory in use. ENERGY: 4706400 788.0436 2088.2798 1968.5225 117.5293 -206815.0416 18049.9198 0.0000 0.0000 34574.1382 -149228.6084 301.9445 -183802.7466 -149131.7048 299.3294 20.7971 59.0257 555006.6469 -3.8317 -3.5932 PRESSURE: 4706600 156.817 -21.9132 70.3393 -21.9133 -62.9359 45.0759 70.3397 45.0759 0.911059 GPRESSURE: 4706600 135.265 23.975 153.218 -109.715 -63.6384 -27.0411 24.6136 8.10254 116.739 PRESSAVG: 4706600 -39.5116 -62.5214 31.498 -62.5214 -54.0487 3.90416 31.4979 3.90413 74.4812 GPRESSAVG: 4706600 -41.4012 -63.2923 30.7214 -61.5854 -53.6191 3.67744 30.832 4.01786 76.2436 TIMING: 4706600 CPU: 14132.9, 0.00297688/step Wall: 14132.9, 0.00297688/step, 0.242616 hours remaining, 211.832031 MB of memory in use. ENERGY: 4706600 706.9698 2142.6074 1947.0750 121.0107 -206305.1814 17743.9761 0.0000 0.0000 34308.2842 -149335.2582 299.6228 -183643.5424 -149235.2902 299.6584 31.5975 62.7886 555661.1706 -6.3597 -6.2589 PRESSURE: 4706800 -115.166 54.8463 -24.0719 54.8472 -222.481 -70.9356 -24.0711 -70.9346 -103.204 GPRESSURE: 4706800 -75.5927 29.1184 -44.762 58.4434 -178.859 -56.972 48.5603 -51.2299 -79.7411 PRESSAVG: 4706800 31.7937 -14.7821 2.36547 -14.7822 -34.9713 -37.4268 2.36553 -37.4268 56.7104 GPRESSAVG: 4706800 32.8739 -14.866 4.20459 -14.6895 -34.2376 -39.5852 0.666383 -37.9962 55.2725 TIMING: 4706800 CPU: 14133.5, 0.00301174/step Wall: 14133.5, 0.00301174/step, 0.24529 hours remaining, 211.832031 MB of memory in use. ENERGY: 4706800 780.6710 2119.1045 1959.2372 113.3486 -206347.2296 17588.9541 0.0000 0.0000 34392.2458 -149393.6686 300.3560 -183785.9144 -149295.8578 298.9834 -146.9506 -111.3976 557455.1788 17.8443 17.9696 PRESSURE: 4707000 -33.295 -1.57288 39.389 -1.57288 -304.646 -143.661 39.3887 -143.66 -166.363 GPRESSURE: 4707000 -20.8727 -18.463 41.0196 12.0384 -250.986 -48.239 40.8739 -145.56 -150.487 PRESSAVG: 4707000 -23.4415 2.37506 -54.9598 2.375 56.1935 8.78788 -54.9597 8.78801 -13.9706 GPRESSAVG: 4707000 -22.4778 2.40596 -54.9079 3.50799 55.2945 12.4027 -54.8077 8.49884 -14.2484 TIMING: 4707000 CPU: 14134.1, 0.00304301/step Wall: 14134.1, 0.00304301/step, 0.247667 hours remaining, 211.902344 MB of memory in use. ENERGY: 4707000 770.5063 2098.7416 1926.5003 101.6500 -206248.2432 17658.5542 0.0000 0.0000 34349.8885 -149342.4022 299.9861 -183692.2908 -149240.1976 299.7092 -168.1011 -140.7818 558154.7644 6.2605 6.1894 PRESSURE: 4707200 -101.247 -176.598 -27.9141 -176.597 137.806 58.6889 -27.9142 58.6884 -16.0013 GPRESSURE: 4707200 -15.0771 -71.503 -3.19965 -276.232 128.148 -19.9374 49.4703 79.528 16.728 PRESSAVG: 4707200 8.55823 -13.5801 -4.20842 -13.5802 32.9852 35.8088 -4.20837 35.8087 -10.796 GPRESSAVG: 4707200 8.38355 -13.9867 -6.52212 -13.161 33.7653 30.8872 -3.26779 37.3136 -11.0766 TIMING: 4707200 CPU: 14134.7, 0.00299471/step Wall: 14134.7, 0.00299471/step, 0.24357 hours remaining, 211.902344 MB of memory in use. ENERGY: 4707200 729.9172 2110.1607 1949.8409 120.1027 -205746.2163 17619.4801 0.0000 0.0000 34061.3178 -149155.3969 297.4660 -183216.7148 -149056.3063 299.3954 6.8523 43.2662 556973.5627 10.2491 10.3574 PRESSURE: 4707400 72.1637 -59.7699 0.900273 -59.7708 -13.901 106.258 0.899387 106.259 53.3222 GPRESSURE: 4707400 135.874 -114.985 -16.1295 3.92319 18.6419 215.256 -118.301 101.268 49.6311 PRESSAVG: 4707400 64.6222 21.6851 -30.161 21.685 17.8391 72.9291 -30.1609 72.9292 -73.5982 GPRESSAVG: 4707400 64.2785 21.3895 -29.3094 21.9463 16.981 74.8039 -31.1326 72.3715 -72.9671 TIMING: 4707400 CPU: 14135.3, 0.00301365/step Wall: 14135.3, 0.00301365/step, 0.244943 hours remaining, 211.902344 MB of memory in use. ENERGY: 4707400 743.9183 2182.5685 1951.6722 123.2725 -206335.7818 17900.0818 0.0000 0.0000 34445.1846 -148989.0839 300.8184 -183434.2685 -148889.9538 299.9206 37.1950 68.0490 556446.4315 2.9543 2.7641 PRESSURE: 4707600 143.254 -17.8314 -212.009 -17.8306 -101.055 54.4114 -212.009 54.4108 -142.342 GPRESSURE: 4707600 151.741 -103.403 -136.191 48.347 -26.1825 22.3795 -182.023 105.957 -134.392 PRESSAVG: 4707600 94.4007 -4.30379 -41.4919 -4.30389 -21.4069 23.0748 -41.4919 23.0747 -41.7782 GPRESSAVG: 4707600 94.4202 -4.3983 -40.6514 -3.99407 -22.1897 23.1209 -41.1471 23.505 -41.5274 TIMING: 4707600 CPU: 14135.9, 0.0029857/step Wall: 14135.9, 0.0029857/step, 0.242505 hours remaining, 211.902344 MB of memory in use. ENERGY: 4707600 743.4130 2209.3415 1961.9727 105.8892 -206131.2924 17654.6495 0.0000 0.0000 34397.5777 -149058.4489 300.4026 -183456.0266 -148958.6278 300.2058 -33.3809 -2.9444 557603.7898 10.4052 10.2344 PRESSURE: 4707800 -32.8363 -137.904 -72.2989 -137.902 99.836 -2.30471 -72.2995 -2.30397 65.0865 GPRESSURE: 4707800 14.3009 -105.487 -48.8745 -101.345 94.1228 -40.2964 -102.32 -40.9614 112.533 PRESSAVG: 4707800 15.295 -27.1909 -19.3467 -27.1909 31.0808 2.12301 -19.3467 2.12293 -58.6607 GPRESSAVG: 4707800 15.0278 -27.9392 -20.3986 -27.7893 31.5123 0.947238 -20.9822 1.34046 -58.4255 TIMING: 4707800 CPU: 14136.5, 0.00297537/step Wall: 14136.5, 0.00297537/step, 0.241501 hours remaining, 211.902344 MB of memory in use. ENERGY: 4707800 756.6812 2150.6645 1966.9670 113.0414 -206476.0648 17957.9287 0.0000 0.0000 34507.0193 -149023.7627 301.3584 -183530.7821 -148922.2383 300.3554 44.0287 73.6523 557332.0605 -4.0950 -3.9618 PRESSURE: 4708000 -7.16837 113.937 49.8559 113.936 -35.8114 -54.7048 49.8573 -54.7042 -171.81 GPRESSURE: 4708000 82.0332 141.782 153.442 152.376 54.8913 -60.3999 19.0508 -35.6935 -245.045 PRESSAVG: 4708000 -3.05256 6.75458 -13.9593 6.75463 70.3851 -62.4183 -13.9592 -62.4183 -37.654 GPRESSAVG: 4708000 -2.25022 7.96781 -12.563 5.93064 70.5715 -60.5398 -15.2045 -62.28 -38.6461 TIMING: 4708000 CPU: 14137.1, 0.00296555/step Wall: 14137.1, 0.00296555/step, 0.240539 hours remaining, 211.902344 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: 4708000 765.5157 2107.0421 1965.5144 110.6694 -205819.6040 17697.3268 0.0000 0.0000 34171.1350 -149002.4006 298.4250 -183173.5356 -148911.8955 300.7239 -71.5967 -36.0402 557939.0119 9.8928 9.8917 PRESSURE: 4708200 -94.1758 -176.063 49.9712 -176.064 191.266 -8.7713 49.9718 -8.77067 -202.049 GPRESSURE: 4708200 -22.8427 -91.6712 -15.5117 -153.825 230.029 -9.54564 39.0891 -0.311107 -206.412 PRESSAVG: 4708200 68.4114 -29.2511 28.0873 -29.2511 16.1985 20.0018 28.0874 20.0018 -72.229 GPRESSAVG: 4708200 68.4689 -28.4837 26.4168 -30.5275 16.0749 19.2363 31.0234 21.0708 -71.7498 TIMING: 4708200 CPU: 14137.7, 0.00297758/step Wall: 14137.7, 0.00297758/step, 0.241349 hours remaining, 211.902344 MB of memory in use. ENERGY: 4708200 744.6538 2164.5691 1970.9550 117.3195 -206166.7791 17805.0524 0.0000 0.0000 34337.3101 -149026.9191 299.8763 -183364.2292 -148933.2077 299.8945 -34.9863 0.2581 556480.9628 4.1270 4.2647 LDB: ============= START OF LOAD BALANCING ============== 14141.2 LDB: ============== END OF LOAD BALANCING =============== 14141.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14141.2 LDB: ============= START OF LOAD BALANCING ============== 14141.5 LDB: Largest compute 4773 load 0.025777 is 21.8% of average load 0.118280 LDB: Average compute 0.001733 is 1.5% of average load 0.118280 LDB: TIME 14141.5 LOAD: AVG 0.11828 MAX 0.215496 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.164 MB LDB: TIME 14141.5 LOAD: AVG 0.11828 MAX 0.215496 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.367 MB LDB: TIME 14141.5 LOAD: AVG 0.11828 MAX 0.215496 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.367 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14141.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14141.5 PRESSURE: 4708400 68.2263 32.5054 79.2983 32.5061 229.575 -98.3326 79.2989 -98.3337 -1.65175 GPRESSURE: 4708400 22.1074 43.5545 30.9238 23.197 318.955 -142.091 119.696 -83.6203 43.6717 PRESSAVG: 4708400 39.3835 -39.3646 -15.56 -39.3646 65.153 26.2404 -15.5599 26.2406 -103.343 GPRESSAVG: 4708400 38.1942 -41.2546 -15.0677 -36.5833 66.704 27.2483 -15.6896 23.935 -104.101 TIMING: 4708400 CPU: 14138.3, 0.00306103/step Wall: 14138.3, 0.00306103/step, 0.247943 hours remaining, 208.808594 MB of memory in use. ENERGY: 4708400 746.4504 2129.0512 1938.0072 107.0887 -206319.0806 17891.1545 0.0000 0.0000 34357.6599 -149149.6687 300.0540 -183507.3286 -149049.1091 300.1673 98.7164 128.2448 556068.2196 0.3978 0.2656 PRESSURE: 4708600 110.662 9.41622 93.6462 9.41661 47.0771 -130.524 93.6461 -130.524 -120.428 GPRESSURE: 4708600 176.198 -87.1982 97.9094 1.36836 15.6476 -141.677 109.343 -112.087 -51.3062 PRESSAVG: 4708600 -11.9568 -12.473 30.0286 -12.473 38.2297 -12.2639 30.0285 -12.2637 -11.9863 GPRESSAVG: 4708600 -11.7303 -12.1238 27.9591 -12.5017 37.5429 -15.1475 30.8548 -9.52282 -11.4842 TIMING: 4708600 CPU: 14138.9, 0.00302273/step Wall: 14138.9, 0.00302273/step, 0.244673 hours remaining, 208.808594 MB of memory in use. ENERGY: 4708600 724.0995 2127.2375 1966.8850 115.1787 -206053.2241 17594.7116 0.0000 0.0000 34426.8048 -149098.3070 300.6578 -183525.1118 -149000.6403 299.6334 12.4368 46.8465 555538.7204 4.7622 4.7761 PRESSURE: 4708800 149.438 -98.5129 11.9312 -98.5129 149.958 14.934 11.9324 14.934 90.5828 GPRESSURE: 4708800 163.71 -68.083 24.7337 -79.4763 198.779 -30.1634 79.104 57.0161 130.95 PRESSAVG: 4708800 55.9583 41.0421 -34.5861 41.0421 -6.14442 -26.7061 -34.5861 -26.706 -94.5916 GPRESSAVG: 4708800 56.3592 43.4045 -29.0412 39.662 -6.25776 -26.4514 -37.2692 -27.4559 -94.7869 TIMING: 4708800 CPU: 14139.5, 0.00300442/step Wall: 14139.5, 0.00300442/step, 0.243024 hours remaining, 208.808594 MB of memory in use. ENERGY: 4708800 745.0893 2067.3464 1965.0297 108.1808 -206201.7014 17916.0070 0.0000 0.0000 34261.2255 -149138.8228 299.2118 -183400.0483 -149041.9986 299.2767 129.9931 164.4797 557274.3295 -14.9259 -14.8951 PRESSURE: 4709000 -96.2312 119.133 -23.5581 119.133 -92.8493 0.472955 -23.5579 0.471104 0.889323 GPRESSURE: 4709000 -79.0029 94.9855 -29.6708 102.017 -15.0291 5.73179 -58.0081 22.6768 14.3629 PRESSAVG: 4709000 7.57886 -20.0617 -11.7172 -20.0617 29.5877 63.0136 -11.7172 63.0135 -34.7568 GPRESSAVG: 4709000 7.43164 -21.7743 -13.9719 -20.4803 29.3208 64.4692 -10.8374 61.8003 -34.0358 TIMING: 4709000 CPU: 14140.1, 0.00300574/step Wall: 14140.1, 0.00300574/step, 0.242964 hours remaining, 208.808594 MB of memory in use. ENERGY: 4709000 785.4209 2080.0596 1966.0268 122.9317 -206216.5218 17701.1452 0.0000 0.0000 34505.1882 -149055.7494 301.3424 -183560.9376 -148961.4172 299.9624 -62.7304 -26.5563 556891.3023 0.8032 0.9055 PRESSURE: 4709200 -331.266 14.9338 -89.1188 14.9331 -156.112 -180.27 -89.1189 -180.269 -260.048 GPRESSURE: 4709200 -290.506 178.262 -113.86 -65.4947 -158.155 -126.999 -81.967 -204.33 -192.788 PRESSAVG: 4709200 52.7395 -19.6733 -18.7504 -19.6732 -9.38703 -6.9686 -18.7505 -6.96862 -77.064 GPRESSAVG: 4709200 52.6586 -19.8083 -18.6873 -18.0681 -9.24354 -7.32343 -18.2259 -6.82547 -77.0299 TIMING: 4709200 CPU: 14140.7, 0.00299966/step Wall: 14140.7, 0.00299966/step, 0.242306 hours remaining, 208.808594 MB of memory in use. ENERGY: 4709200 737.2486 2161.6121 1958.4983 118.9654 -205627.9524 17315.0785 0.0000 0.0000 34350.4128 -148986.1368 299.9907 -183336.5496 -148892.8369 300.6780 -249.1419 -213.8167 557843.3164 -11.2372 -11.2050 PRESSURE: 4709400 36.4483 -89.8406 84.6655 -89.8415 228.07 -103.472 84.6643 -103.472 334.254 GPRESSURE: 4709400 88.6908 -52.6826 151.298 -31.4225 245.528 -101.803 8.61109 -124.57 369.735 PRESSAVG: 4709400 -24.527 -23.7116 -9.66289 -23.7116 0.10847 -39.2178 -9.66278 -39.2178 25.4245 GPRESSAVG: 4709400 -25.1884 -22.8199 -10.5509 -24.1663 1.07687 -39.0824 -10.0067 -37.8934 25.062 TIMING: 4709400 CPU: 14141.3, 0.00301116/step Wall: 14141.3, 0.00301116/step, 0.243068 hours remaining, 209.011719 MB of memory in use. ENERGY: 4709400 741.8870 2123.7923 1932.5781 120.8165 -206509.9997 18031.5954 0.0000 0.0000 34420.9943 -149138.3361 300.6071 -183559.3304 -149037.5185 300.2941 199.5909 234.6512 555782.7507 0.3353 0.3168 PRESSURE: 4709600 -34.6898 69.6694 -157.506 69.6691 -228.45 -67.0807 -157.505 -67.0804 18.5601 GPRESSURE: 4709600 49.8507 57.6374 -159.237 20.6013 -243.368 -46.99 -186.732 -117.555 51.8966 PRESSAVG: 4709600 -58.708 -11.3799 2.77107 -11.3799 -2.711 11.2016 2.77113 11.2015 80.7985 GPRESSAVG: 4709600 -57.6639 -9.95276 3.14576 -14.436 -4.73139 11.711 2.98906 9.38404 81.8269 TIMING: 4709600 CPU: 14141.9, 0.0030052/step Wall: 14141.9, 0.0030052/step, 0.24242 hours remaining, 209.011719 MB of memory in use. ENERGY: 4709600 746.1373 2066.0392 1948.2276 116.0458 -205940.9217 17688.5418 0.0000 0.0000 34436.8827 -148939.0473 300.7459 -183375.9300 -148835.3794 300.5052 -81.5264 -47.2069 556989.5690 6.4598 6.4772 PRESSURE: 4709800 -4.52788 7.93421 -53.5222 7.93433 162.444 16.8622 -53.5221 16.8625 173.634 GPRESSURE: 4709800 21.0524 -44.3778 -32.4348 -17.8526 166.914 -45.6685 -101.243 -3.25487 240.822 PRESSAVG: 4709800 -1.71813 -40.5518 1.13032 -40.5518 14.8566 -72.0008 1.13033 -72.0008 14.7511 GPRESSAVG: 4709800 -0.782219 -42.3868 0.0755954 -37.1255 16.0195 -72.3229 1.78457 -70.8504 12.4443 TIMING: 4709800 CPU: 14142.5, 0.00298698/step Wall: 14142.5, 0.00298698/step, 0.240784 hours remaining, 209.011719 MB of memory in use. ENERGY: 4709800 741.7981 2115.6539 1949.9375 105.3624 -206219.1120 18113.7301 0.0000 0.0000 34089.0988 -149103.5311 297.7086 -183192.6300 -149006.4660 300.5270 110.5165 142.9294 557854.4849 9.2965 9.2272 PRESSURE: 4710000 121.558 -98.1483 132.646 -98.1462 4.53632 -37.0544 132.646 -37.0558 -167.002 GPRESSURE: 4710000 161.634 -85.9503 173.887 -32.0542 68.5157 -45.5639 87.6312 -82.6678 -173.712 PRESSAVG: 4710000 -53.6148 -28.5523 1.20426 -28.5523 49.7828 -3.48763 1.20415 -3.48762 -23.0364 GPRESSAVG: 4710000 -53.815 -28.4525 2.63124 -29.428 48.9761 -2.1506 -0.115334 -4.54501 -22.2201 TIMING: 4710000 CPU: 14143.1, 0.00298603/step Wall: 14143.1, 0.00298603/step, 0.240542 hours remaining, 209.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4710000 703.7591 2089.4152 1952.0790 125.5398 -206239.7858 17831.5844 0.0000 0.0000 34084.6204 -149452.7880 297.6695 -183537.4084 -149354.6566 298.7327 -13.6358 18.8125 556818.2607 -8.9561 -9.0197 PRESSURE: 4710200 13.0994 -103.537 -110.657 -103.537 4.03254 107.487 -110.656 107.488 -168.905 GPRESSURE: 4710200 18.3414 -161.691 -142.374 -18.5336 2.24029 103.068 -89.089 83.5808 -81.686 PRESSAVG: 4710200 -55.4619 -14.9539 18.1467 -14.9538 13.8154 13.3032 18.1468 13.3033 43.6836 GPRESSAVG: 4710200 -55.3488 -14.7013 16.6632 -11.573 13.3947 11.278 18.4068 12.4098 43.9292 TIMING: 4710200 CPU: 14143.7, 0.00300978/step Wall: 14143.7, 0.00300978/step, 0.242287 hours remaining, 209.011719 MB of memory in use. ENERGY: 4710200 728.6885 2093.6113 1956.6860 111.7908 -205984.9765 17699.8121 0.0000 0.0000 33818.8687 -149575.5190 295.3486 -183394.3878 -149489.0167 297.6850 -50.5910 -20.3681 557079.4841 0.6790 0.6584 PRESSURE: 4710400 -188.827 112.228 213.682 112.229 96.1819 1.49164 213.683 1.49173 198.749 GPRESSURE: 4710400 -87.97 122.369 232.822 94.1014 93.2267 1.77251 113.946 -47.0484 199.504 PRESSAVG: 4710400 7.10777 3.80462 28.0023 3.80467 37.5012 19.5023 28.0024 19.5024 -11.8389 GPRESSAVG: 4710400 7.82424 3.07579 30.4193 2.76236 37.5696 19.3642 25.6155 22.2722 -12.2245 TIMING: 4710400 CPU: 14144.3, 0.0030129/step Wall: 14144.3, 0.0030129/step, 0.242371 hours remaining, 209.011719 MB of memory in use. ENERGY: 4710400 739.7628 2119.2775 1951.4354 108.3491 -206311.9923 17737.4410 0.0000 0.0000 34143.2404 -149512.4862 298.1814 -183655.7266 -149414.5370 297.8969 35.3682 68.2537 556608.7021 10.9233 11.0565 PRESSURE: 4710600 -159.005 -90.0073 79.4077 -90.0082 -116.086 -33.8352 79.4088 -33.836 162.485 GPRESSURE: 4710600 -178.053 -98.271 125.859 -82.11 -64.0125 -73.9624 25.6743 -45.987 221.162 PRESSAVG: 4710600 -34.7157 7.72082 66.5656 7.72086 20.4802 53.1744 66.5657 53.1745 43.9458 GPRESSAVG: 4710600 -35.282 7.16858 64.997 7.07413 20.2511 54.7845 65.7466 50.9875 44.7893 TIMING: 4710600 CPU: 14144.9, 0.00299226/step Wall: 14144.9, 0.00299226/step, 0.240544 hours remaining, 209.011719 MB of memory in use. ENERGY: 4710600 744.0171 2114.8133 1939.0105 119.7376 -206075.4142 17725.5793 0.0000 0.0000 33997.9304 -149434.3259 296.9124 -183432.2564 -149337.9366 298.1119 -37.5356 -6.9679 558095.6824 9.9034 9.9195 PRESSURE: 4710800 -150.173 -41.5179 84.2593 -41.5174 -154.736 7.79242 84.2593 7.79275 -261.17 GPRESSURE: 4710800 -104.489 -106.896 10.5295 -10.1801 -146.175 36.8619 162.472 -43.1958 -212.827 PRESSAVG: 4710800 -29.6916 -59.2125 46.1028 -59.2125 8.66639 -32.5692 46.1028 -32.5692 -8.17136 GPRESSAVG: 4710800 -30.022 -57.487 44.426 -59.4173 9.73076 -33.9327 49.0094 -33.6273 -9.09196 TIMING: 4710800 CPU: 14145.5, 0.00300673/step Wall: 14145.5, 0.00300673/step, 0.24154 hours remaining, 209.011719 MB of memory in use. ENERGY: 4710800 733.5876 2094.3368 1942.0383 116.1498 -206436.8813 17732.3928 0.0000 0.0000 34377.4369 -149440.9390 300.2267 -183818.3759 -149338.6480 298.3528 -188.6930 -154.4972 556372.2889 -9.7322 -9.7944 PRESSURE: 4711000 -298.572 -56.5633 15.3215 -56.5627 -52.4015 63.6378 15.3218 63.6378 -39.5304 GPRESSURE: 4711000 -235.526 -33.6974 20.8371 -96.6883 -27.9007 87.3164 16.5302 188.878 -48.1735 PRESSAVG: 4711000 25.747 7.95952 5.73599 7.95951 10.6213 -47.9495 5.73589 -47.9496 11.5479 GPRESSAVG: 4711000 25.287 7.85881 8.32202 7.75138 11.0995 -49.0059 6.88431 -45.0866 11.1266 TIMING: 4711000 CPU: 14146.1, 0.00298134/step Wall: 14146.1, 0.00298134/step, 0.239335 hours remaining, 209.117188 MB of memory in use. ENERGY: 4711000 784.5261 2031.8782 1958.8790 105.9025 -206170.8375 17553.3009 0.0000 0.0000 34414.1011 -149322.2497 300.5469 -183736.3508 -149225.6373 299.1589 -130.1681 -103.8667 557364.3244 15.9721 15.8377 PRESSURE: 4711200 166.213 -128.12 -173.897 -128.121 -163.132 117.821 -173.896 117.82 -61.5318 GPRESSURE: 4711200 235.732 -109.768 -243.891 -87.9696 -130.428 198.788 -156.906 57.0697 -65.3925 PRESSAVG: 4711200 -32.0312 -16.9901 70.8318 -16.99 32.5122 6.25221 70.8318 6.2522 -45.2615 GPRESSAVG: 4711200 -32.494 -17.6391 69.1282 -16.8176 32.6715 9.19086 70.4035 5.78929 -44.802 TIMING: 4711200 CPU: 14146.7, 0.00297073/step Wall: 14146.7, 0.00297073/step, 0.238319 hours remaining, 209.117188 MB of memory in use. ENERGY: 4711200 729.3397 2050.1575 1934.0920 111.9826 -206316.6943 17915.0096 0.0000 0.0000 34046.2032 -149529.9097 297.3340 -183576.1129 -149435.7539 298.7239 -19.4835 13.3036 557672.6291 -14.9268 -14.8749 PRESSURE: 4711400 -313.605 -105.356 77.5008 -105.355 -119.136 148.5 77.5011 148.501 -391.221 GPRESSURE: 4711400 -234.545 -129.198 103.326 -96.7966 -141.716 196.455 52.5504 140.398 -336.202 PRESSAVG: 4711400 -3.33099 -20.4439 -11.8517 -20.4439 -10.6433 50.161 -11.8518 50.161 24.6967 GPRESSAVG: 4711400 -2.00525 -19.5964 -10.9469 -19.7104 -11.7746 48.0153 -11.2347 50.7593 24.5364 TIMING: 4711400 CPU: 14147.3, 0.00296928/step Wall: 14147.3, 0.00296928/step, 0.238038 hours remaining, 209.117188 MB of memory in use. ENERGY: 4711400 767.9646 2053.3079 1949.4228 123.1971 -206206.7193 17581.6766 0.0000 0.0000 34145.2104 -149585.9401 298.1986 -183731.1505 -149487.3497 297.6968 -274.6541 -237.4878 558889.3185 3.5741 3.5855 PRESSURE: 4711600 -219.203 -11.0067 77.9383 -11.0066 -119.804 83.0821 77.9375 83.0813 184.689 GPRESSURE: 4711600 -204.688 -48.4957 32.1709 -11.5721 -36.7294 54.8843 18.4488 24.1512 178.445 PRESSAVG: 4711600 30.6457 -27.8432 -45.2301 -27.8433 -19.6335 -20.2074 -45.2302 -20.2074 16.3145 GPRESSAVG: 4711600 29.5011 -29.548 -42.5147 -28.4465 -18.5799 -20.2818 -48.917 -22.3768 16.4027 TIMING: 4711600 CPU: 14147.9, 0.00297696/step Wall: 14147.9, 0.00297696/step, 0.238487 hours remaining, 209.117188 MB of memory in use. ENERGY: 4711600 734.6435 2078.0520 1935.7902 126.2869 -206700.3853 18042.2497 0.0000 0.0000 34315.8245 -149467.5385 299.6886 -183783.3630 -149374.1639 298.5299 -51.4393 -20.9908 558292.2018 9.1089 9.1080 PRESSURE: 4711800 -226.777 59.2809 -107.535 59.2808 84.1916 -72.833 -107.534 -72.8314 15.1666 GPRESSURE: 4711800 -222.435 38.7748 -129.057 57.1156 172.275 -67.9391 -51.5103 -34.0211 32.2923 PRESSAVG: 4711800 -36.4174 -5.66172 -14.3183 -5.66174 -15.4281 -58.171 -14.3183 -58.171 34.491 GPRESSAVG: 4711800 -35.4075 -5.81231 -17.5446 -5.72043 -16.2934 -59.3871 -11.3079 -54.4582 34.5433 TIMING: 4711800 CPU: 14148.5, 0.0030067/step Wall: 14148.5, 0.0030067/step, 0.240703 hours remaining, 209.117188 MB of memory in use. ENERGY: 4711800 726.2966 2128.7190 1918.2746 110.7386 -206371.2566 17886.7366 0.0000 0.0000 34172.3892 -149428.1019 298.4360 -183600.4911 -149334.5509 299.1114 -42.4730 -5.9560 558970.1204 -5.7849 -5.7192 PRESSURE: 4712000 -68.2955 -2.41006 -21.9195 -2.4095 -125.888 -95.4551 -21.9191 -95.4532 -96.3607 GPRESSURE: 4712000 -59.8488 37.2868 -115.933 6.11467 -111.848 -42.5962 -66.7808 -137.425 -18.1807 PRESSAVG: 4712000 -10.9507 13.5314 -45.6772 13.5315 17.8569 5.95207 -45.6771 5.9519 15.7329 GPRESSAVG: 4712000 -10.4858 13.9505 -45.8372 13.9578 18.441 6.94636 -47.4381 3.97568 14.5822 TIMING: 4712000 CPU: 14149.1, 0.00301142/step Wall: 14149.1, 0.00301142/step, 0.240914 hours remaining, 209.117188 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: 4712000 759.4181 2048.7711 1949.2709 102.0029 -206202.1611 17892.7104 0.0000 0.0000 34204.6935 -149245.2943 298.7181 -183449.9878 -149148.6904 299.2978 -96.8481 -63.2924 558985.2978 7.5463 7.5125 PRESSURE: 4712200 -180.67 -54.1037 106.416 -54.103 -188.614 -264.75 106.415 -264.75 28.1303 GPRESSURE: 4712200 -111.644 -39.1061 95.58 -3.43416 -127.643 -284.779 98.0335 -206.96 -4.9139 PRESSAVG: 4712200 4.66928 -40.5593 -16.142 -40.5593 -59.9452 -33.2239 -16.142 -33.2239 42.3529 GPRESSAVG: 4712200 4.41237 -39.3604 -14.3205 -42.4341 -60.4489 -34.5836 -15.3171 -32.0839 43.5344 TIMING: 4712200 CPU: 14149.7, 0.00301173/step Wall: 14149.7, 0.00301173/step, 0.240771 hours remaining, 209.117188 MB of memory in use. ENERGY: 4712200 700.8398 2155.1794 1981.2371 120.2958 -205719.2596 17442.1044 0.0000 0.0000 34195.3760 -149124.2272 298.6367 -183319.6031 -149035.9365 299.5937 -113.7181 -81.4001 557657.0878 -4.3077 -4.1674 LDB: ============= START OF LOAD BALANCING ============== 14153.2 LDB: ============== END OF LOAD BALANCING =============== 14153.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14153.2 LDB: ============= START OF LOAD BALANCING ============== 14153.5 LDB: Largest compute 4774 load 0.026110 is 22.1% of average load 0.118250 LDB: Average compute 0.001733 is 1.5% of average load 0.118250 LDB: TIME 14153.5 LOAD: AVG 0.11825 MAX 0.215544 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.656 MB LDB: TIME 14153.5 LOAD: AVG 0.11825 MAX 0.215544 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.859 MB LDB: TIME 14153.5 LOAD: AVG 0.11825 MAX 0.215544 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.859 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14153.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14153.5 PRESSURE: 4712400 291.542 -77.7021 115.669 -77.7023 -26.9085 37.9282 115.67 37.9285 141.059 GPRESSURE: 4712400 262.519 -10.6347 118.784 -85.2536 15.3974 159.413 60.9009 -21.0708 225.748 PRESSAVG: 4712400 -36.5131 -11.6496 37.446 -11.6497 -65.7462 -60.5013 37.4461 -60.5014 46.7736 GPRESSAVG: 4712400 -37.5941 -12.943 38.0793 -10.4758 -64.5916 -58.5974 37.0139 -60.6031 46.8889 TIMING: 4712400 CPU: 14150.3, 0.00304483/step Wall: 14150.3, 0.00304483/step, 0.243248 hours remaining, 210.003906 MB of memory in use. ENERGY: 4712400 735.5115 2137.5678 1945.1408 102.4583 -206360.6458 18153.6412 0.0000 0.0000 34241.9676 -149044.3587 299.0436 -183286.3263 -148944.7709 299.6449 135.2306 167.8882 558982.0469 -18.4952 -18.4323 PRESSURE: 4712600 -75.9727 12.7714 -112.345 12.772 37.8203 -24.6397 -112.345 -24.6377 258.045 GPRESSURE: 4712600 -93.6067 -42.5435 -22.9908 -72.0842 64.8997 -26.9798 -148.087 35.7667 351.688 PRESSAVG: 4712600 17.7676 -53.368 -8.84714 -53.3679 -65.31 -3.04502 -8.8472 -3.04505 58.9483 GPRESSAVG: 4712600 18.4 -52.2431 -10.0785 -54.7234 -65.4017 -2.65493 -7.37725 -2.32758 58.6827 TIMING: 4712600 CPU: 14150.9, 0.00300729/step Wall: 14150.9, 0.00300729/step, 0.240082 hours remaining, 210.003906 MB of memory in use. ENERGY: 4712600 752.5200 2103.3197 1942.4444 115.7350 -206130.5559 18080.8708 0.0000 0.0000 34158.6993 -148976.9666 298.3164 -183135.6659 -148878.0456 299.9929 73.2976 107.6604 558851.9927 3.8020 3.8937 PRESSURE: 4712800 -7.56466 -65.6906 -80.9426 -65.6895 180.173 184.54 -80.943 184.541 49.7332 GPRESSURE: 4712800 37.3297 -33.0863 -87.8446 -126.353 148.06 230.488 -154.846 143.13 130.023 PRESSAVG: 4712800 -46.8724 -14.3816 -13.8166 -14.3815 -45.3497 35.8319 -13.8166 35.8318 49.6368 GPRESSAVG: 4712800 -47.027 -15.127 -14.4882 -13.8529 -45.0895 35.1343 -16.497 34.6239 49.6912 TIMING: 4712800 CPU: 14151.5, 0.00299501/step Wall: 14151.5, 0.00299501/step, 0.238935 hours remaining, 210.003906 MB of memory in use. ENERGY: 4712800 768.7224 2097.6786 1943.4670 116.6333 -206328.1281 17909.5941 0.0000 0.0000 34576.9696 -148915.0631 301.9693 -183492.0327 -148820.2078 300.3174 74.1139 105.1379 558482.6824 -14.1951 -14.1417 PRESSURE: 4713000 20.0375 50.9578 2.40287 50.9582 161.597 -98.3009 2.40392 -98.3011 43.6377 GPRESSURE: 4713000 73.0155 106.787 -79.3787 -0.59179 146.403 -24.1673 -12.0398 -133.483 108.253 PRESSAVG: 4713000 -17.1619 -14.0114 -0.641422 -14.0114 -27.4894 -8.58806 -0.641482 -8.58816 53.8464 GPRESSAVG: 4713000 -17.909 -14.5755 -0.36806 -14.0967 -28.7249 -6.68827 1.23609 -11.2662 55.4751 TIMING: 4713000 CPU: 14152.1, 0.003012/step Wall: 14152.1, 0.003012/step, 0.240124 hours remaining, 210.003906 MB of memory in use. ENERGY: 4713000 733.7137 2106.7840 1929.4298 125.5227 -206136.0340 17899.5575 0.0000 0.0000 34432.6749 -148908.3514 300.7091 -183341.0264 -148814.5018 299.9743 75.0907 109.2237 558016.8916 3.0650 2.9471 PRESSURE: 4713200 60.9618 70.2771 -69.5104 70.2778 -40.6386 139.801 -69.5107 139.8 -300.212 GPRESSURE: 4713200 99.7575 79.6632 7.51228 30.6577 -30.4085 117.631 -162.342 104.837 -252.069 PRESSAVG: 4713200 -12.7514 -29.1196 0.327075 -29.1195 9.89166 -44.7504 0.327002 -44.7505 26.8525 GPRESSAVG: 4713200 -12.3815 -29.2524 0.379965 -28.068 9.63378 -46.6373 0.823914 -40.5264 26.4344 TIMING: 4713200 CPU: 14152.7, 0.0030234/step Wall: 14152.7, 0.0030234/step, 0.240864 hours remaining, 210.003906 MB of memory in use. ENERGY: 4713200 785.3624 2136.3364 1937.0176 120.7319 -205866.5889 17648.2716 0.0000 0.0000 34360.9226 -148877.9464 300.0825 -183238.8690 -148774.3437 299.8299 -93.2962 -60.9067 558397.6762 7.9976 7.8955 PRESSURE: 4713400 58.669 66.2125 187.005 66.2126 8.58779 -148.422 187.004 -148.421 172.82 GPRESSURE: 4713400 113.856 37.826 203.195 112.616 25.62 -115.995 135.292 -103.117 195.627 PRESSAVG: 4713400 -26.7665 15.9347 -4.5478 15.9347 -19.0918 17.1801 -4.54775 17.1799 64.6028 GPRESSAVG: 4713400 -26.1965 14.9585 -3.16829 15.8657 -18.5344 17.2964 -6.61796 14.9949 63.0341 TIMING: 4713400 CPU: 14153.3, 0.00297929/step Wall: 14153.3, 0.00297929/step, 0.237185 hours remaining, 210.003906 MB of memory in use. ENERGY: 4713400 724.8405 2122.9488 1944.6457 100.1123 -206225.3118 17983.2679 0.0000 0.0000 34466.6501 -148882.8466 301.0058 -183349.4967 -148780.8696 300.2496 80.0256 111.7012 558304.2751 6.2481 6.1011 PRESSURE: 4713600 -21.6614 16.4293 -150.282 16.4302 17.474 -64.1364 -150.281 -64.136 7.30257 GPRESSURE: 4713600 -13.4994 42.7237 -158.949 54.2085 50.1664 -78.7583 -218.688 -112.427 76.2446 PRESSAVG: 4713600 61.7037 -24.7349 68.8359 -24.7348 -103.613 -32.2502 68.8358 -32.2501 41.0889 GPRESSAVG: 4713600 62.5039 -21.3593 68.4171 -25.2101 -103.756 -30.9191 70.0313 -30.2707 41.0378 TIMING: 4713600 CPU: 14153.9, 0.00294925/step Wall: 14153.9, 0.00294925/step, 0.23463 hours remaining, 210.003906 MB of memory in use. ENERGY: 4713600 774.2128 2146.0643 1943.7879 109.3165 -206510.9025 17996.6952 0.0000 0.0000 34641.7277 -148899.0981 302.5348 -183540.8258 -148799.9493 300.1917 1.0384 37.6372 556418.3979 -0.2735 -0.0714 PRESSURE: 4713800 58.3101 -32.1152 -57.0845 -32.1145 -5.30409 8.58603 -57.0832 8.58675 -170.712 GPRESSURE: 4713800 101.83 -14.2486 -119.114 -63.4761 36.9038 -74.2413 -82.7241 55.9565 -156.345 PRESSAVG: 4713800 58.3718 -19.3 -16.9974 -19.3 -46.9101 -31.2309 -16.9975 -31.231 -24.1395 GPRESSAVG: 4713800 57.6144 -20.8348 -16.2248 -16.6653 -47.1694 -33.1009 -17.6088 -33.0237 -22.9422 TIMING: 4713800 CPU: 14154.5, 0.00298672/step Wall: 14154.5, 0.00298672/step, 0.237445 hours remaining, 210.003906 MB of memory in use. ENERGY: 4713800 754.8677 2104.1321 1954.1456 111.2022 -206028.4741 17744.7523 0.0000 0.0000 34499.9073 -148859.4669 301.2963 -183359.3742 -148763.2060 301.0304 -39.2353 -5.8705 557228.0499 -4.2259 -4.1658 PRESSURE: 4714000 102.371 -17.9606 -136.032 -17.9613 171.64 219.997 -136.032 219.998 -130.986 GPRESSURE: 4714000 172.87 47.1396 -37.0845 10.5894 117.133 184.444 -108.283 192.498 -46.8773 PRESSAVG: 4714000 10.2729 16.9911 -9.17014 16.9911 49.1825 19.4519 -9.17008 19.4518 -94.218 GPRESSAVG: 4714000 10.1427 16.6318 -10.8544 16.8628 48.6184 21.674 -7.27524 18.3263 -93.721 TIMING: 4714000 CPU: 14155.1, 0.00300298/step Wall: 14155.1, 0.00300298/step, 0.23857 hours remaining, 210.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4714000 706.0651 2101.8977 1929.3348 115.6060 -206396.1527 17958.8881 0.0000 0.0000 34618.2241 -148966.1369 302.3296 -183584.3610 -148860.9826 300.7623 47.6750 81.0419 557195.0394 -11.5875 -11.6533 PRESSURE: 4714200 -48.5188 -23.1361 87.8871 -23.1353 31.6698 -143.162 87.8865 -143.162 -221.834 GPRESSURE: 4714200 43.0928 51.7337 91.3756 20.1294 8.46231 -115.204 1.5197 -122.485 -186.997 PRESSAVG: 4714200 14.0698 -38.571 -14.8309 -38.5709 22.9669 -11.514 -14.831 -11.514 -42.2318 GPRESSAVG: 4714200 14.3334 -38.6205 -13.8101 -40.139 24.5824 -13.724 -14.9457 -9.68016 -44.1504 TIMING: 4714200 CPU: 14155.7, 0.00297964/step Wall: 14155.7, 0.00297964/step, 0.23655 hours remaining, 210.003906 MB of memory in use. ENERGY: 4714200 721.2675 2110.4726 1978.3113 114.8474 -206140.6681 17816.0894 0.0000 0.0000 34243.7277 -149155.9521 299.0590 -183399.6799 -149064.1723 300.0377 -79.5609 -45.1474 557205.9992 -1.7317 -1.7449 PRESSURE: 4714400 496.687 37.0544 -54.5405 37.0547 147.366 -93.9775 -54.5405 -93.9774 155.021 GPRESSURE: 4714400 497.075 -27.982 -72.3079 64.7753 212.305 -198.92 31.8091 4.68524 175.144 PRESSAVG: 4714400 36.7359 -21.2501 12.4984 -21.2501 -18.0243 -12.4906 12.4983 -12.4906 -41.4509 GPRESSAVG: 4714400 36.8277 -21.115 10.461 -20.6275 -18.4675 -12.6478 12.5382 -13.3392 -40.6992 TIMING: 4714400 CPU: 14156.3, 0.00297964/step Wall: 14156.3, 0.00297964/step, 0.236385 hours remaining, 210.003906 MB of memory in use. ENERGY: 4714400 760.5443 2113.1439 1948.4563 105.1197 -206632.2006 18286.9370 0.0000 0.0000 34339.4331 -149078.5663 299.8948 -183417.9994 -148978.9627 300.5277 266.3578 294.8413 556807.9796 -7.5798 -7.4463 PRESSURE: 4714600 -188.399 134.678 41.0128 134.678 -200.312 -56.199 41.0122 -56.2004 -300.963 GPRESSURE: 4714600 -165.314 64.9686 -48.4656 157.065 -214.733 -6.02987 22.5916 13.6699 -231.684 PRESSAVG: 4714600 62.2607 30.1354 -43.8272 30.1353 -1.34775 -8.54934 -43.8271 -8.54935 -67.3092 GPRESSAVG: 4714600 62.9816 28.2689 -40.7876 29.2469 -1.56418 -7.29392 -44.3248 -8.15733 -67.5456 TIMING: 4714600 CPU: 14156.9, 0.00298152/step Wall: 14156.9, 0.00298152/step, 0.236368 hours remaining, 210.003906 MB of memory in use. ENERGY: 4714600 735.6963 2137.4658 1930.2626 103.9198 -205938.2095 17527.6247 0.0000 0.0000 34273.9565 -149229.2838 299.3230 -183503.2403 -149134.6048 299.7241 -229.8915 -203.9105 558044.5413 -2.1321 -2.0427 PRESSURE: 4714800 127.912 143.642 21.4337 143.641 45.0258 -101.601 21.4348 -101.603 -142.519 GPRESSURE: 4714800 144.826 283.494 -17.4479 26.6221 95.6471 -95.0316 38.2728 -17.9077 -110.642 PRESSAVG: 4714800 26.1346 14.7386 18.31 14.7386 15.5088 44.8218 18.31 44.8218 -11.4587 GPRESSAVG: 4714800 24.1069 16.0624 15.6894 16.3421 15.944 45.2376 18.8369 45.7191 -9.88446 TIMING: 4714800 CPU: 14157.5, 0.00298756/step Wall: 14157.5, 0.00298756/step, 0.236681 hours remaining, 210.003906 MB of memory in use. ENERGY: 4714800 736.9051 2123.0498 1946.8234 111.9520 -205974.8522 17598.8315 0.0000 0.0000 34445.0452 -149012.2451 300.8171 -183457.2903 -148905.4576 300.6083 10.1396 43.2773 555902.7884 10.0616 10.0555 PRESSURE: 4715000 39.7613 -87.9963 8.71054 -87.9975 -252.508 166.128 8.71188 166.128 3.07187 GPRESSURE: 4715000 92.9249 -17.2628 -29.3538 -79.0558 -188.981 202.055 7.00545 118.996 -34.4367 PRESSAVG: 4715000 42.8389 9.25048 7.61019 9.2505 -47.8613 41.8382 7.61025 41.8381 8.87328 GPRESSAVG: 4715000 43.474 10.7243 8.5854 5.77044 -49.1398 42.8878 7.26294 39.7284 9.38636 TIMING: 4715000 CPU: 14158.1, 0.00301609/step Wall: 14158.1, 0.00301609/step, 0.238774 hours remaining, 210.003906 MB of memory in use. ENERGY: 4715000 714.3293 2078.4520 1950.6898 116.7229 -206064.5507 17669.3975 0.0000 0.0000 34608.5019 -148926.4572 302.2447 -183534.9591 -148823.0357 300.4987 -69.8915 -43.4975 557276.1933 1.2836 1.2402 PRESSURE: 4715200 -58.4615 -55.3974 -124.373 -55.398 -194.544 -64.7708 -124.373 -64.7707 -36.4797 GPRESSURE: 4715200 -85.7696 -124.704 -148.274 63.8848 -106.259 -4.98524 -90.4237 -56.5946 12.9613 PRESSAVG: 4715200 -19.6925 25.4763 -76.6899 25.4765 -37.7797 49.8078 -76.6899 49.8077 16.1355 GPRESSAVG: 4715200 -18.0197 23.9647 -75.7552 28.47 -37.6602 47.6394 -77.8979 51.1228 14.2209 TIMING: 4715200 CPU: 14158.7, 0.00298706/step Wall: 14158.7, 0.00298706/step, 0.236309 hours remaining, 210.003906 MB of memory in use. ENERGY: 4715200 735.1188 2037.9241 1925.8166 108.0610 -205758.1412 17657.2569 0.0000 0.0000 34287.7426 -149006.2212 299.4434 -183293.9638 -148909.2970 300.0300 -96.4951 -59.6892 557534.2800 -13.7789 -13.8197 PRESSURE: 4715400 96.0006 -58.411 90.4574 -58.4112 -78.7094 141.442 90.4584 141.441 -13.8749 GPRESSURE: 4715400 146.889 -48.882 124.342 -97.5715 -90.4077 178.221 64.7278 121.802 41.71 PRESSAVG: 4715400 15.5147 56.3001 -29.1099 56.3002 -21.3454 -9.01896 -29.11 -9.01896 13.7578 GPRESSAVG: 4715400 13.0436 56.3929 -31.5671 54.603 -20.341 -8.89357 -25.7745 -8.18859 15.7204 TIMING: 4715400 CPU: 14159.3, 0.00299259/step Wall: 14159.3, 0.00299259/step, 0.236581 hours remaining, 210.003906 MB of memory in use. ENERGY: 4715400 734.6955 2103.3719 1942.3787 116.1666 -205848.2169 17535.1848 0.0000 0.0000 34369.0880 -149047.3315 300.1538 -183416.4196 -148950.6990 300.0190 1.1388 32.7304 558007.1604 2.6424 2.8077 PRESSURE: 4715600 -201.823 -40.7044 80.4305 -40.7048 -112.162 -121.098 80.43 -121.099 31.8815 GPRESSURE: 4715600 -163.844 -121.591 7.45482 -47.8791 -88.9803 -252.354 65.901 -65.5717 86.8027 PRESSAVG: 4715600 -1.57105 -17.083 -43.1779 -17.0831 -32.764 57.8284 -43.1778 57.8284 26.963 GPRESSAVG: 4715600 -1.66147 -18.05 -42.1087 -16.8459 -31.9717 58.4762 -44.4702 57.3781 26.5247 TIMING: 4715600 CPU: 14159.9, 0.0030198/step Wall: 14159.9, 0.0030198/step, 0.238564 hours remaining, 210.003906 MB of memory in use. ENERGY: 4715600 760.9827 2117.3422 1924.7484 115.8502 -206280.4914 17829.8649 0.0000 0.0000 34395.9173 -149135.7858 300.3881 -183531.7030 -149049.5009 299.7518 -94.0345 -55.3404 557315.5734 -2.4574 -2.3695 PRESSURE: 4715800 90.3725 1.41325 -75.9896 1.41336 -120.019 132.316 -75.9914 132.316 -396.457 GPRESSURE: 4715800 86.0192 -20.1322 -66.689 18.4022 -119.702 102.144 -37.949 107.223 -297.652 PRESSAVG: 4715800 9.41956 -34.7124 -24.9928 -34.7126 6.49145 -26.0655 -24.9927 -26.0657 -11.5552 GPRESSAVG: 4715800 11.1021 -32.8847 -23.8053 -35.5577 6.12265 -26.9574 -25.5097 -27.6247 -12.6443 TIMING: 4715800 CPU: 14160.5, 0.00302621/step Wall: 14160.5, 0.00302621/step, 0.238903 hours remaining, 210.003906 MB of memory in use. ENERGY: 4715800 740.5286 2102.2383 1954.6630 118.7534 -205772.4208 17625.4387 0.0000 0.0000 33996.5220 -149234.2768 296.9001 -183230.7988 -149139.2552 299.7637 -142.0344 -110.4448 557072.0128 1.4519 1.5268 PRESSURE: 4716000 12.7691 -123.178 -146.349 -123.178 149.905 -56.6005 -146.349 -56.5999 17.3743 GPRESSURE: 4716000 33.7498 -171.514 -82.5373 -104.854 162.683 -90.6817 -231.315 -94.658 90.3506 PRESSAVG: 4716000 -25.5457 -35.0523 -9.92648 -35.0523 -9.85795 -5.55714 -9.92648 -5.55717 0.0592047 GPRESSAVG: 4716000 -26.0069 -39.0595 -10.3872 -33.1269 -10.9948 -4.81522 -9.68635 -4.3242 1.47786 TIMING: 4716000 CPU: 14161.1, 0.00300268/step Wall: 14161.1, 0.00300268/step, 0.236878 hours remaining, 210.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4716000 753.3326 2052.8255 1932.8143 107.3528 -206301.4714 17972.9548 0.0000 0.0000 34282.1823 -149200.0092 299.3948 -183482.1915 -149101.6547 299.2087 60.0161 95.5946 557980.1013 -11.7815 -11.8413 PRESSURE: 4716200 -93.3178 67.0751 13.7537 67.0749 250.155 -180.415 13.7523 -180.413 46.5532 GPRESSURE: 4716200 -91.634 46.8877 15.9423 58.079 250.873 -142.662 103.289 -253.43 136.074 PRESSAVG: 4716200 -69.7007 -29.903 -15.5429 -29.903 -8.44727 21.2904 -15.5429 21.2903 25.1675 GPRESSAVG: 4716200 -69.4051 -27.7205 -15.9962 -31.1702 -8.54926 23.0816 -15.2861 20.1385 25.4684 TIMING: 4716200 CPU: 14161.7, 0.00303388/step Wall: 14161.7, 0.00303388/step, 0.239171 hours remaining, 210.003906 MB of memory in use. ENERGY: 4716200 750.8524 2039.1962 1942.1000 91.7023 -206538.1649 18100.5375 0.0000 0.0000 34359.6704 -149254.1062 300.0715 -183613.7765 -149156.9007 299.6637 67.7969 98.4375 558798.4274 -17.6602 -17.4953 LDB: ============= START OF LOAD BALANCING ============== 14165.2 LDB: ============== END OF LOAD BALANCING =============== 14165.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14165.2 LDB: ============= START OF LOAD BALANCING ============== 14165.5 LDB: Largest compute 4774 load 0.025641 is 21.7% of average load 0.118279 LDB: Average compute 0.001727 is 1.5% of average load 0.118279 LDB: TIME 14165.5 LOAD: AVG 0.118279 MAX 0.21842 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.711 MB LDB: TIME 14165.5 LOAD: AVG 0.118279 MAX 0.21842 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.711 MB LDB: TIME 14165.5 LOAD: AVG 0.118279 MAX 0.21842 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.711 MB LDB: ============== END OF LOAD BALANCING =============== 14165.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14165.5 PRESSURE: 4716400 -129.551 46.3411 -74.0063 46.3413 -237.001 -3.6539 -74.0059 -3.65458 -8.6745 GPRESSURE: 4716400 -115.23 123.388 -162.26 52.6475 -214.344 21.3155 -79.7696 -37.1948 68.8987 PRESSAVG: 4716400 -90.3855 -24.0205 40.6226 -24.0206 10.7656 -40.8941 40.6225 -40.8941 81.4525 GPRESSAVG: 4716400 -90.3071 -22.4471 39.6036 -24.994 11.2414 -43.5683 39.8434 -37.435 81.4816 TIMING: 4716400 CPU: 14162.3, 0.00305128/step Wall: 14162.3, 0.00305128/step, 0.240373 hours remaining, 210.605469 MB of memory in use. ENERGY: 4716400 745.8536 2051.0159 1924.5429 118.6856 -205889.4917 17651.2338 0.0000 0.0000 33985.3506 -149412.8094 296.8025 -183398.1600 -149309.9145 298.7306 -125.0754 -86.8919 559475.4514 0.6109 0.8053 PRESSURE: 4716600 217.767 38.3034 -22.7167 38.3036 73.6624 -76.1566 -22.7163 -76.1558 159.622 GPRESSURE: 4716600 240.846 59.5684 41.7326 54.7559 138.902 -44.1798 -94.1558 -130.331 161.092 PRESSAVG: 4716600 -62.3621 8.93845 13.1094 8.93856 59.9974 5.70487 13.1095 5.70494 16.2431 GPRESSAVG: 4716600 -62.3212 8.11883 14.0666 9.65672 59.1481 7.86624 10.855 3.22342 16.4604 TIMING: 4716600 CPU: 14162.9, 0.00298716/step Wall: 14162.9, 0.00298716/step, 0.235156 hours remaining, 210.675781 MB of memory in use. ENERGY: 4716600 730.2662 2070.4049 1921.0794 112.4683 -206312.7227 17838.2243 0.0000 0.0000 34160.5025 -149479.7770 298.3322 -183640.2795 -149390.0398 298.5985 150.3503 180.2799 557146.0058 4.6261 4.4291 PRESSURE: 4716800 -295.571 -13.8621 -77.1525 -13.8605 -132.089 -97.0946 -77.1531 -97.0953 -106.101 GPRESSURE: 4716800 -187.639 -34.4375 -108.166 -44.1368 -145.404 -114.858 -87.5948 -82.4652 -95.1814 PRESSAVG: 4716800 -13.7455 -7.92539 0.814481 -7.92531 -10.5014 -2.46352 0.814493 -2.46361 36.1842 GPRESSAVG: 4716800 -13.9858 -8.04871 1.63803 -7.71713 -10.3408 -2.75579 2.75588 -3.01269 36.1032 TIMING: 4716800 CPU: 14163.5, 0.00297706/step Wall: 14163.5, 0.00297706/step, 0.234195 hours remaining, 210.675781 MB of memory in use. ENERGY: 4716800 763.2073 2050.3520 1934.7767 108.2006 -206513.9294 17848.4902 0.0000 0.0000 34287.0401 -149521.8624 299.4372 -183808.9025 -149423.6694 298.1921 -177.9203 -142.7414 558566.8468 3.9791 3.9255 PRESSURE: 4717000 238.837 -100.283 99.0787 -100.283 -215.262 94.8829 99.0792 94.8834 -42.9949 GPRESSURE: 4717000 234.554 -134.823 170.712 -33.5387 -195.311 60.5735 64.8023 127.636 35.8222 PRESSAVG: 4717000 -12.404 59.7248 -26.3089 59.7248 24.3542 39.4124 -26.3089 39.4125 -27.1187 GPRESSAVG: 4717000 -11.7003 59.6536 -27.7622 60.4452 23.8865 37.6096 -25.5781 42.6256 -27.0503 TIMING: 4717000 CPU: 14164.1, 0.00298163/step Wall: 14164.1, 0.00298163/step, 0.23439 hours remaining, 210.808594 MB of memory in use. ENERGY: 4717000 785.1673 2046.3975 1935.2567 114.5956 -206332.9809 17784.8773 0.0000 0.0000 34159.9737 -149506.7128 298.3275 -183666.6865 -149416.7143 298.1908 -6.4733 25.0218 555733.3157 -5.0562 -4.9547 PRESSURE: 4717200 70.9181 -79.2323 -30.8398 -79.2315 -280.139 -72.1743 -30.839 -72.1752 -90.243 GPRESSURE: 4717200 99.6946 -104.634 -0.823299 -71.542 -242.258 -79.1763 -42.124 -29.2615 -61.4116 PRESSAVG: 4717200 59.2319 4.53493 52.6337 4.53495 -12.4927 11.1877 52.6337 11.1877 9.80767 GPRESSAVG: 4717200 59.3103 4.48636 51.3375 3.72052 -11.3602 11.6092 53.167 9.93517 8.59208 TIMING: 4717200 CPU: 14164.7, 0.00299587/step Wall: 14164.7, 0.00299587/step, 0.235342 hours remaining, 210.808594 MB of memory in use. ENERGY: 4717200 748.7898 2111.2184 1928.9948 115.8155 -206351.0858 17743.0615 0.0000 0.0000 34260.7244 -149442.4814 299.2074 -183703.2058 -149343.3539 298.1327 -99.8214 -67.9917 556788.3070 18.8490 18.8474 PRESSURE: 4717400 238.912 -109.998 63.9206 -109.997 23.7879 -24.8906 63.9197 -24.8921 -157.757 GPRESSURE: 4717400 229.617 -111.004 44.31 -226.481 36.8965 -60.7037 56.3724 -30.8338 -58.8899 PRESSAVG: 4717400 35.303 -39.5694 78.272 -39.5696 -15.6838 31.6229 78.2719 31.6229 40.3071 GPRESSAVG: 4717400 32.4285 -39.232 76.5376 -40.4528 -15.1469 32.9422 77.7652 30.8785 42.4797 TIMING: 4717400 CPU: 14165.3, 0.00301001/step Wall: 14165.3, 0.00301001/step, 0.236286 hours remaining, 210.808594 MB of memory in use. ENERGY: 4717400 707.3485 2033.8711 1959.0317 111.3274 -206431.6057 17941.1870 0.0000 0.0000 34026.3250 -149652.5149 297.1604 -183678.8399 -149556.1960 298.5238 34.9810 69.2078 557404.1816 19.9754 19.9204 PRESSURE: 4717600 -143.848 89.0137 -55.5532 89.0147 -32.2687 118.48 -55.5547 118.48 -73.5528 GPRESSURE: 4717600 -75.3637 93.8433 -105.73 10.4726 2.92111 145.729 -85.0883 28.4086 -80.8585 PRESSAVG: 4717600 -0.0179416 -44.2659 23.8068 -44.266 -13.5545 34.4787 23.8068 34.4786 -9.11909 GPRESSAVG: 4717600 2.74444 -43.9861 25.6155 -43.212 -14.5795 33.5346 22.8174 36.1084 -10.4164 TIMING: 4717600 CPU: 14165.9, 0.00297467/step Wall: 14165.9, 0.00297467/step, 0.233346 hours remaining, 210.808594 MB of memory in use. ENERGY: 4717600 750.2735 2059.5980 1918.8799 107.9483 -206352.8898 17771.9000 0.0000 0.0000 34269.2193 -149475.0708 299.2816 -183744.2901 -149379.8737 298.4112 -83.2232 -51.1003 556310.5675 -7.5638 -7.4172 PRESSURE: 4717800 165.195 95.1386 -16.605 95.139 -304.864 31.6865 -16.6048 31.687 -339.994 GPRESSURE: 4717800 223.165 30.7285 -59.4595 125.498 -239.051 -32.1552 17.1723 17.2021 -369.332 PRESSAVG: 4717800 16.4521 43.7823 -0.420827 43.7824 17.9572 -8.14817 -0.420901 -8.14828 -30.3415 GPRESSAVG: 4717800 15.5176 43.8214 0.998975 41.9146 18.2886 -9.01275 0.0763716 -10.0902 -29.5152 TIMING: 4717800 CPU: 14166.5, 0.00300011/step Wall: 14166.5, 0.00300011/step, 0.235175 hours remaining, 210.808594 MB of memory in use. ENERGY: 4717800 740.8456 2121.2553 1916.3830 105.2599 -206591.4546 17796.4409 0.0000 0.0000 34301.2509 -149610.0192 299.5614 -183911.2700 -149511.2454 298.7997 -159.8878 -128.4061 557170.0375 1.3559 1.4303 PRESSURE: 4718000 -44.9613 -99.3389 -86.9404 -99.3392 -108.517 -132.537 -86.9403 -132.54 -86.1601 GPRESSURE: 4718000 -4.16068 -178.73 -116.695 -28.9058 -46.9279 -154.063 -57.4283 -95.2242 -94.3259 PRESSAVG: 4718000 11.4355 37.7565 -42.9459 37.7565 -49.8238 -18.5699 -42.9459 -18.57 55.3942 GPRESSAVG: 4718000 11.5735 36.4906 -44.4337 40.1341 -50.7502 -18.5644 -42.3468 -18.2462 55.9028 TIMING: 4718000 CPU: 14167.1, 0.00298419/step Wall: 14167.1, 0.00298419/step, 0.233761 hours remaining, 210.808594 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: 4718000 737.4905 2107.4714 1919.3923 104.5952 -206235.2173 17588.4772 0.0000 0.0000 34173.6701 -149604.1206 298.4472 -183777.7907 -149500.2331 298.0353 -79.8793 -48.4715 557699.5709 5.6686 5.5754 PRESSURE: 4718200 -330.09 78.9119 36.7966 78.9126 -342.473 -11.9904 36.7967 -11.9899 -1.19668 GPRESSURE: 4718200 -278.267 122.162 39.8489 -12.0458 -287.236 -28.2499 13.5505 39.2238 -3.36786 PRESSAVG: 4718200 -53.1967 35.9702 1.47654 35.9702 7.9007 -13.1979 1.47648 -13.1979 -0.957331 GPRESSAVG: 4718200 -53.4766 35.3633 3.38997 34.6906 9.4257 -10.3631 0.500169 -12.3839 -2.41938 TIMING: 4718200 CPU: 14167.7, 0.00300058/step Wall: 14167.7, 0.00300058/step, 0.234879 hours remaining, 210.808594 MB of memory in use. ENERGY: 4718200 766.8683 2092.3316 1917.9188 114.3001 -206194.7419 17585.4997 0.0000 0.0000 34222.2318 -149495.5916 298.8713 -183717.8233 -149403.0555 298.1285 -224.5864 -189.6236 557731.6341 -15.4178 -15.4901 PRESSURE: 4718400 218.519 -5.67751 -78.8094 -5.67743 203.477 14.7852 -78.8091 14.785 166.482 GPRESSURE: 4718400 237.56 -61.5692 -121.375 27.6875 242.656 66.2405 -22.4834 -19.2066 207.836 PRESSAVG: 4718400 -25.349 -33.546 -28.9791 -33.5459 53.5469 -20.0359 -28.9791 -20.036 -12.8565 GPRESSAVG: 4718400 -24.782 -33.7989 -30.6822 -31.8393 52.0877 -21.0971 -27.7249 -19.2998 -11.883 TIMING: 4718400 CPU: 14168.3, 0.00300958/step Wall: 14168.3, 0.00300958/step, 0.235416 hours remaining, 210.808594 MB of memory in use. ENERGY: 4718400 740.2760 2113.6885 1943.6188 122.9048 -207087.4137 18179.9331 0.0000 0.0000 34407.6836 -149579.3090 300.4909 -183986.9926 -149487.0208 298.0683 196.1592 229.3507 555971.3156 5.1138 5.1409 PRESSURE: 4718600 3.90781 -13.478 -13.896 -13.4764 14.507 66.8292 -13.897 66.8291 86.9526 GPRESSURE: 4718600 20.8129 -60.3201 -46.3005 -83.5383 69.6654 98.1495 30.9537 -80.0071 114.119 PRESSAVG: 4718600 34.5528 -25.3837 0.831233 -25.3837 4.28509 20.2161 0.83117 20.2162 -17.1542 GPRESSAVG: 4718600 34.0661 -24.7081 1.67579 -26.3666 5.0677 21.6146 1.7826 18.6083 -17.7115 TIMING: 4718600 CPU: 14168.9, 0.00296923/step Wall: 14168.9, 0.00296923/step, 0.232095 hours remaining, 210.808594 MB of memory in use. ENERGY: 4718600 712.3308 2051.6419 1972.8734 121.4684 -206267.4197 17767.6764 0.0000 0.0000 34015.2028 -149626.2260 297.0632 -183641.4288 -149520.6351 298.2504 35.1225 68.1989 555416.9019 7.2279 7.1408 PRESSURE: 4718800 -132.58 -67.7877 -184.495 -67.7876 -84.1606 -2.06261 -184.493 -2.06124 -203.088 GPRESSURE: 4718800 -86.0467 -46.983 -215.187 20.7795 -73.9221 24.3912 -99.2918 -25.4918 -147.943 PRESSAVG: 4718800 -31.7449 45.9363 -11.3421 45.9362 5.86575 11.7782 -11.342 11.7782 -9.17527 GPRESSAVG: 4718800 -31.7583 44.419 -11.2951 47.4087 6.43579 10.7175 -13.2495 13.8189 -9.64248 TIMING: 4718800 CPU: 14169.5, 0.00295882/step Wall: 14169.5, 0.00295882/step, 0.231117 hours remaining, 210.808594 MB of memory in use. ENERGY: 4718800 739.5995 2043.3807 1958.1460 112.2846 -206467.9853 17664.5386 0.0000 0.0000 34112.1179 -149837.9181 297.9096 -183950.0360 -149739.3153 297.5356 -139.9431 -102.6372 557704.7181 -11.6848 -11.6550 PRESSURE: 4719000 -383.742 154.488 -23.724 154.488 -30.9742 230.271 -23.7244 230.271 -101.386 GPRESSURE: 4719000 -340.637 197.25 -21.1166 130.8 -28.5149 171.204 -20.7067 260.143 -54.5737 PRESSAVG: 4719000 36.0776 -38.0138 27.9182 -38.0138 -68.8862 59.659 27.9181 59.6589 49.8762 GPRESSAVG: 4719000 36.3636 -36.6767 26.9576 -38.5099 -68.4818 59.4193 30.3158 60.2812 49.0601 TIMING: 4719000 CPU: 14170.1, 0.00298756/step Wall: 14170.1, 0.00298756/step, 0.233195 hours remaining, 210.808594 MB of memory in use. ENERGY: 4719000 774.7402 2070.1886 1957.2716 121.6796 -206435.0717 17802.6396 0.0000 0.0000 34126.3384 -149582.2135 298.0338 -183708.5519 -149495.0380 298.2534 -172.0340 -141.2420 557671.2897 5.6892 5.6473 PRESSURE: 4719200 25.3951 16.7603 59.982 16.7609 -99.0947 -105.812 59.9814 -105.812 -210.001 GPRESSURE: 4719200 35.0564 7.82152 38.7206 36.8552 -73.6698 -1.41907 84.4606 -103.529 -136.419 PRESSAVG: 4719200 25.7408 17.3795 67.6703 17.3796 -53.7291 49.0943 67.6704 49.0942 19.241 GPRESSAVG: 4719200 24.2322 19.7562 69.2726 15.5863 -54.4633 50.2276 67.2459 47.0923 21.2335 TIMING: 4719200 CPU: 14170.7, 0.00300697/step Wall: 14170.7, 0.00300697/step, 0.234544 hours remaining, 210.808594 MB of memory in use. ENERGY: 4719200 743.9657 2021.1177 1921.4965 109.4471 -206442.6669 17738.8413 0.0000 0.0000 34312.7080 -149595.0905 299.6614 -183907.7985 -149495.7271 298.3096 -94.5668 -58.3441 557426.7817 -2.9158 -2.9992 PRESSURE: 4719400 342.288 -25.4628 -45.3643 -25.4638 -161.98 50.1767 -45.3642 50.1766 161.068 GPRESSURE: 4719400 386.431 -73.0924 -35.1231 -63.7126 -128.043 8.29432 -72.6368 81.123 180.425 PRESSAVG: 4719400 23.0016 -29.45 -54.4496 -29.45 -49.7131 -15.0977 -54.4496 -15.0977 13.6135 GPRESSAVG: 4719400 24.9235 -30.6709 -55.9374 -29.5029 -49.4605 -15.4039 -55.9344 -13.6055 12.099 TIMING: 4719400 CPU: 14171.3, 0.00299081/step Wall: 14171.3, 0.00299081/step, 0.233117 hours remaining, 210.808594 MB of memory in use. ENERGY: 4719400 754.8537 2037.5045 1936.5659 106.4605 -206267.4379 17798.0423 0.0000 0.0000 34128.9633 -149505.0477 298.0567 -183634.0110 -149406.8892 298.2931 113.7920 146.2711 555968.2987 -4.3660 -4.1460 PRESSURE: 4719600 15.1439 -131.271 -72.3829 -131.272 85.0057 14.9496 -72.382 14.9493 1.44901 GPRESSURE: 4719600 68.7984 -183.957 -113.998 -86.2064 134.745 28.2074 -47.1326 -32.9593 -2.39668 PRESSAVG: 4719600 34.6813 -5.1279 -39.5227 -5.12794 2.8753 25.4018 -39.5227 25.4019 37.7233 GPRESSAVG: 4719600 33.7271 -5.98455 -40.8435 -3.88212 3.14539 26.6604 -38.995 25.1351 38.8842 TIMING: 4719600 CPU: 14171.9, 0.00299052/step Wall: 14171.9, 0.00299052/step, 0.232928 hours remaining, 210.808594 MB of memory in use. ENERGY: 4719600 769.2689 2049.4248 1933.2368 123.2367 -206569.7740 17982.8162 0.0000 0.0000 34271.1206 -149440.6700 299.2982 -183711.7906 -149342.8192 298.8265 33.8662 67.0488 556563.3769 25.0933 25.2522 PRESSURE: 4719800 104.198 -46.9687 -44.3664 -46.9685 -87.6771 126.17 -44.3642 126.17 -174.736 GPRESSURE: 4719800 147.047 -77.1783 6.77246 -8.47622 -53.6714 67.55 -106.44 144.962 -149.563 PRESSAVG: 4719800 41.6964 -17.4501 35.6152 -17.4502 -34.6787 -15.0141 35.6152 -15.014 2.92165 GPRESSAVG: 4719800 42.9589 -17.5916 36.6732 -18.1467 -33.9173 -14.8963 34.5982 -15.0473 1.59559 TIMING: 4719800 CPU: 14172.5, 0.00296047/step Wall: 14172.5, 0.00296047/step, 0.230423 hours remaining, 210.808594 MB of memory in use. ENERGY: 4719800 745.1051 2097.2529 1960.5752 109.0924 -206426.6588 17777.9527 0.0000 0.0000 34105.5159 -149631.1646 297.8520 -183736.6806 -149537.9263 298.3246 -52.7383 -18.7291 557313.4105 3.3131 3.5457 PRESSURE: 4720000 -67.1118 279.539 -61.9227 279.539 -6.45975 63.2055 -61.9228 63.2043 -200.127 GPRESSURE: 4720000 4.21335 255.436 -21.8478 311.915 -34.5902 51.9173 -78.3658 98.185 -146.886 PRESSAVG: 4720000 42.2834 12.4796 6.70642 12.4796 0.244067 8.17203 6.70638 8.17201 -9.40736 GPRESSAVG: 4720000 41.0989 12.6171 6.95633 12.4287 0.120699 4.78987 7.39411 8.27629 -8.50894 TIMING: 4720000 CPU: 14173.1, 0.00297693/step Wall: 14173.1, 0.00297693/step, 0.231539 hours remaining, 210.808594 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: 4720000 778.4642 2044.5406 1949.1324 115.6397 -206359.0922 17766.1968 0.0000 0.0000 34016.3265 -149688.7919 297.0730 -183705.1185 -149584.6413 298.6638 -91.2329 -59.0875 558414.1517 11.0400 10.9035 PRESSURE: 4720200 -47.7781 76.1093 56.739 76.1098 -245.519 130.774 56.7389 130.773 199.032 GPRESSURE: 4720200 -8.4463 144.023 -3.09648 65.9207 -236.998 149.474 144.015 102.139 256.368 PRESSAVG: 4720200 10.7857 35.0713 20.3294 35.0713 -43.4115 83.9975 20.3294 83.9976 2.13414 GPRESSAVG: 4720200 9.48854 35.3014 20.9592 33.6917 -42.5607 85.0431 19.5964 83.9151 3.22354 TIMING: 4720200 CPU: 14173.6, 0.00296042/step Wall: 14173.6, 0.00296042/step, 0.230091 hours remaining, 210.808594 MB of memory in use. ENERGY: 4720200 743.8179 2080.4168 1950.3508 119.5538 -206571.1490 17951.7323 0.0000 0.0000 34052.8885 -149672.3889 297.3923 -183725.2774 -149573.2092 298.0712 -31.4217 3.6413 556223.9622 -10.1639 -9.9495 LDB: ============= START OF LOAD BALANCING ============== 14177.2 LDB: ============== END OF LOAD BALANCING =============== 14177.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14177.2 LDB: ============= START OF LOAD BALANCING ============== 14177.5 LDB: Largest compute 4773 load 0.027027 is 22.9% of average load 0.118252 LDB: Average compute 0.001730 is 1.5% of average load 0.118252 LDB: TIME 14177.5 LOAD: AVG 0.118252 MAX 0.211817 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.086 MB LDB: TIME 14177.5 LOAD: AVG 0.118252 MAX 0.211817 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.09 MB LDB: TIME 14177.5 LOAD: AVG 0.118252 MAX 0.211817 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.09 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14177.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14177.5 PRESSURE: 4720400 -225.751 -30.7682 134.732 -30.769 -274.145 -53.4033 134.732 -53.4018 46.3106 GPRESSURE: 4720400 -122.87 -44.1233 152.679 -63.4635 -244.413 3.25812 145.146 -115.426 21.5573 PRESSAVG: 4720400 12.1041 -25.9629 -33.6667 -25.9629 -32.6787 47.3802 -33.6667 47.3801 28.7293 GPRESSAVG: 4720400 14.3233 -27.3761 -34.9356 -25.7496 -33.321 49.5274 -34.5008 46.1919 27.1607 TIMING: 4720400 CPU: 14174.3, 0.00301973/step Wall: 14174.3, 0.00301973/step, 0.234532 hours remaining, 210.062500 MB of memory in use. ENERGY: 4720400 772.2944 2097.4754 1944.6848 107.6833 -206046.0807 17516.0014 0.0000 0.0000 34019.6948 -149588.2466 297.1025 -183607.9414 -149496.9084 298.3530 -151.1952 -115.2420 556465.4572 2.7183 2.7210 PRESSURE: 4720600 27.6424 217.815 -75.9941 217.815 114.37 24.9408 -75.9932 24.9422 125.963 GPRESSURE: 4720600 86.7354 125.946 -150.542 270.743 110.208 35.3711 -14.8318 -9.42555 166.295 PRESSAVG: 4720600 -7.30734 31.6769 -13.8337 31.6769 4.99104 48.9874 -13.8337 48.9875 1.37296 GPRESSAVG: 4720600 -8.24216 31.0303 -13.336 34.1616 4.67091 46.0453 -12.9073 51.0872 2.43069 TIMING: 4720600 CPU: 14174.8, 0.00295794/step Wall: 14174.8, 0.00295795/step, 0.229569 hours remaining, 210.062500 MB of memory in use. ENERGY: 4720600 751.0278 2101.0314 1950.4747 100.9209 -206484.2367 17929.7198 0.0000 0.0000 34121.9407 -149529.1215 297.9954 -183651.0622 -149432.2317 298.7926 89.3251 121.0797 555149.0007 -0.3144 -0.3802 PRESSURE: 4720800 7.70397 93.1278 -97.5965 93.1282 -136.288 -142.453 -97.5963 -142.454 -41.9696 GPRESSURE: 4720800 16.491 107.569 -111.315 89.6258 -146.032 -110.361 -24.5182 -157.389 51.8668 PRESSAVG: 4720800 55.4164 -20.258 5.16661 -20.258 -45.1067 -8.6331 5.16662 -8.63325 15.5859 GPRESSAVG: 4720800 55.5185 -17.5438 5.29471 -22.2455 -44.9846 -5.55252 5.75307 -9.15551 14.7247 TIMING: 4720800 CPU: 14175.4, 0.00297044/step Wall: 14175.4, 0.00297044/step, 0.230374 hours remaining, 210.062500 MB of memory in use. ENERGY: 4720800 741.0717 2081.4237 1952.7698 109.6829 -206213.9999 17626.4608 0.0000 0.0000 34325.0070 -149377.5839 299.7688 -183702.5910 -149282.9353 298.7870 -56.8513 -25.8914 555943.5831 8.6319 8.4195 PRESSURE: 4721000 164.831 7.63671 -248.447 7.63737 -256.805 -77.9249 -248.447 -77.9248 0.573546 GPRESSURE: 4721000 242.308 35.9863 -258.044 53.3949 -210.265 -241.003 -245.446 43.1977 -11.0268 PRESSAVG: 4721000 -59.6042 20.586 -38.0061 20.5861 18.7805 -38.1753 -38.006 -38.1752 49.88 GPRESSAVG: 4721000 -59.3308 20.7354 -36.9501 21.5528 17.8379 -39.3166 -39.1231 -38.8573 50.2024 TIMING: 4721000 CPU: 14176, 0.0029702/step Wall: 14176, 0.0029702/step, 0.230191 hours remaining, 210.062500 MB of memory in use. ENERGY: 4721000 702.0446 2066.3184 1935.7465 110.9094 -206182.2368 17677.2211 0.0000 0.0000 34477.4778 -149212.5190 301.1004 -183689.9968 -149116.6136 299.3094 -30.4668 7.0055 556307.4639 3.0188 2.9032 PRESSURE: 4721200 -133.918 60.3623 -127.156 60.3624 34.5534 0.875678 -127.156 0.875706 -33.8503 GPRESSURE: 4721200 -39.7914 -43.1466 -118.567 99.3487 2.67704 -1.05551 -68.4695 39.9812 -5.22783 PRESSAVG: 4721200 2.29936 32.3963 48.7452 32.3963 -37.1063 -27.2128 48.7452 -27.2128 -3.49917 GPRESSAVG: 4721200 2.23785 32.3416 45.5443 32.1146 -35.7979 -27.5439 50.4513 -25.8102 -4.40087 TIMING: 4721200 CPU: 14176.6, 0.00296014/step Wall: 14176.6, 0.00296014/step, 0.229246 hours remaining, 210.062500 MB of memory in use. ENERGY: 4721200 723.2760 2076.6557 1931.4432 119.7753 -205992.8408 17722.6543 0.0000 0.0000 34342.1806 -149076.8557 299.9188 -183419.0363 -148972.8016 300.1967 -44.4051 -14.1141 557920.4942 -12.7687 -12.6537 PRESSURE: 4721400 60.577 34.9936 -120.886 34.9921 -15.3959 121.93 -120.886 121.929 44.005 GPRESSURE: 4721400 71.1723 53.5481 -72.7128 48.8113 23.3205 24.5401 -198.682 211.422 90.9998 PRESSAVG: 4721400 -8.91536 -41.4101 13.4888 -41.4101 34.6913 9.04082 13.4888 9.04076 -52.9904 GPRESSAVG: 4721400 -9.02506 -41.4472 15.5088 -40.3589 33.894 8.32316 13.704 8.36736 -52.4231 TIMING: 4721400 CPU: 14177.2, 0.00298775/step Wall: 14177.2, 0.00298775/step, 0.231218 hours remaining, 210.062500 MB of memory in use. ENERGY: 4721400 722.9940 2085.6162 1941.3022 101.8760 -206556.1129 18011.2453 0.0000 0.0000 34428.5058 -149264.5735 300.6727 -183693.0793 -149169.5158 300.0183 29.7287 61.8309 557345.0220 -9.0715 -9.1847 PRESSURE: 4721600 -299.049 -3.80282 -106.384 -3.80223 162.966 -87.6811 -106.383 -87.682 -49.0391 GPRESSURE: 4721600 -226.283 22.571 -155.753 -50.8103 185.236 -43.1678 -98.6053 -99.6076 -46.6753 PRESSAVG: 4721600 -39.1981 -12.2845 19.042 -12.2846 -9.58386 -43.1618 19.0421 -43.1618 -2.98488 GPRESSAVG: 4721600 -39.2423 -11.135 19.1192 -14.5628 -9.63157 -41.8034 19.6355 -45.8425 -3.23457 TIMING: 4721600 CPU: 14177.8, 0.00300589/step Wall: 14177.8, 0.00300589/step, 0.232455 hours remaining, 210.062500 MB of memory in use. ENERGY: 4721600 746.4600 2053.8925 1946.7520 106.1932 -206267.8174 17822.6398 0.0000 0.0000 34355.4452 -149236.4348 300.0346 -183591.8800 -149139.7463 299.2189 -61.7071 -29.2406 558241.9862 -17.2556 -17.3695 PRESSURE: 4721800 -124.454 -2.45531 -36.9985 -2.45595 399.076 62.1863 -36.9994 62.186 112.604 GPRESSURE: 4721800 -59.5747 -52.408 -49.8829 21.5118 412.599 69.4372 -62.5061 179.597 125.516 PRESSAVG: 4721800 -92.1942 -9.09348 -19.1246 -9.09351 43.2822 27.5146 -19.1246 27.5147 39.5691 GPRESSAVG: 4721800 -91.0157 -10.9089 -20.0088 -8.60852 42.609 28.4381 -19.5556 28.1854 39.5138 TIMING: 4721800 CPU: 14178.4, 0.00300341/step Wall: 14178.4, 0.00300341/step, 0.232097 hours remaining, 210.062500 MB of memory in use. ENERGY: 4721800 722.9335 2077.2374 1954.2515 117.3400 -206568.2106 17950.7584 0.0000 0.0000 34269.4389 -149476.2509 299.2835 -183745.6898 -149383.0081 298.6167 129.0753 159.5132 556662.2535 -3.1143 -2.9643 PRESSURE: 4722000 1.95937 153.124 -146.171 153.124 162.052 -196.151 -146.17 -196.15 215.576 GPRESSURE: 4722000 93.4288 107.352 -94.2805 123.72 156.917 -219.554 -115.789 -200.847 223.254 PRESSAVG: 4722000 36.0436 22.9601 -1.4775 22.96 -28.3922 16.9388 -1.47753 16.9388 4.42331 GPRESSAVG: 4722000 35.6563 24.4006 0.155302 21.4861 -28.1659 15.8851 -1.53219 18.6968 3.94773 TIMING: 4722000 CPU: 14179, 0.00298362/step Wall: 14179, 0.00298362/step, 0.230401 hours remaining, 210.062500 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: 4722000 760.6826 2068.4029 1955.9978 125.4269 -206520.9890 18009.5424 0.0000 0.0000 34137.9474 -149462.9891 298.1352 -183600.9365 -149371.2494 297.9381 126.5291 157.8664 555617.9098 4.0249 3.8127 PRESSURE: 4722200 -182.429 106.457 77.846 106.457 -415.768 -66.9808 77.8457 -66.9798 -92.2683 GPRESSURE: 4722200 -160.812 137.193 136.954 -2.63967 -324.735 -63.906 48.0347 -118.725 -102.737 PRESSAVG: 4722200 11.4789 -15.9716 -41.3605 -15.9717 2.04443 9.60185 -41.3606 9.6019 -50.5322 GPRESSAVG: 4722200 11.8794 -15.6555 -42.1045 -16.2628 1.66315 8.62974 -42.5444 7.98276 -50.5259 TIMING: 4722200 CPU: 14179.6, 0.00297004/step Wall: 14179.6, 0.00297004/step, 0.229188 hours remaining, 210.062500 MB of memory in use. ENERGY: 4722200 752.8873 2016.5306 1925.8643 103.2332 -205938.0541 17586.7082 0.0000 0.0000 34046.8032 -149506.0273 297.3392 -183552.8305 -149405.7783 298.3000 -230.1553 -196.0949 558108.1417 -12.3363 -12.3278 PRESSURE: 4722400 -172.194 117.598 -71.5045 117.598 -238.192 111.074 -71.5062 111.074 -191.28 GPRESSURE: 4722400 -141.737 67.1033 -122.598 73.3278 -183.815 73.0588 -106.963 73.0203 -180.355 PRESSAVG: 4722400 -13.5102 -3.98853 -5.82346 -3.98863 34.0303 26.3108 -5.82351 26.3109 7.4121 GPRESSAVG: 4722400 -13.2861 -6.08012 -6.30307 -4.10848 34.8701 27.2916 -3.81731 26.4464 6.36495 TIMING: 4722400 CPU: 14180.2, 0.00297861/step Wall: 14180.2, 0.00297861/step, 0.229684 hours remaining, 210.062500 MB of memory in use. ENERGY: 4722400 749.7797 2029.1484 1911.8430 114.8104 -206162.0358 17640.4582 0.0000 0.0000 34265.4154 -149450.5807 299.2484 -183715.9961 -149357.7942 298.8417 -200.5555 -168.6355 558050.0271 9.3107 9.3163 PRESSURE: 4722600 149.843 45.4112 160.912 45.4095 40.1429 -120.516 160.911 -120.517 -80.5247 GPRESSURE: 4722600 129.826 -17.8285 183.782 103.962 115.124 -135.671 111.609 -156.459 -37.9169 PRESSAVG: 4722600 21.8115 28.5737 -0.71488 28.5737 13.3567 16.8294 -0.714837 16.8294 -32.8848 GPRESSAVG: 4722600 20.8992 29.5017 -1.31047 28.5006 13.3123 14.6217 -1.31106 19.5749 -31.6551 TIMING: 4722600 CPU: 14180.8, 0.00298632/step Wall: 14180.8, 0.00298632/step, 0.230112 hours remaining, 210.062500 MB of memory in use. ENERGY: 4722600 705.3134 2071.7643 1961.0129 107.7471 -206503.8489 17931.3200 0.0000 0.0000 34228.1962 -149498.4951 298.9234 -183726.6913 -149391.6669 298.9384 36.4871 69.0112 557065.2271 0.7611 0.8521 PRESSURE: 4722800 90.5574 59.327 137.221 59.3273 103.731 -159.191 137.22 -159.192 131.476 GPRESSURE: 4722800 67.003 147.893 156.487 10.9761 116.779 -156.548 146.648 -99.6033 237.174 PRESSAVG: 4722800 -19.2834 27.2092 -5.77773 27.2092 54.7643 -26.8109 -5.77779 -26.8108 -27.1494 GPRESSAVG: 4722800 -19.4621 28.7504 -6.15246 28.2906 54.5388 -26.1322 -4.72059 -28.2936 -26.6798 TIMING: 4722800 CPU: 14181.4, 0.00297046/step Wall: 14181.4, 0.00297046/step, 0.228725 hours remaining, 210.062500 MB of memory in use. ENERGY: 4722800 681.2717 2079.1670 1960.4121 99.6354 -206139.2366 17857.2845 0.0000 0.0000 33961.4168 -149500.0493 296.5935 -183461.4661 -149402.4065 298.3586 108.5882 140.3188 558111.2974 2.7772 2.7990 PRESSURE: 4723000 -80.7961 45.7248 52.4307 45.7263 -171.893 5.11056 52.4312 5.11012 -117.893 GPRESSURE: 4723000 -18.6966 -19.4422 -8.40872 98.313 -149.913 -76.5605 43.6194 34.0497 -105.661 PRESSAVG: 4723000 -48.0888 31.9285 -40.681 31.9285 35.3568 -34.0616 -40.6811 -34.0615 -4.38107 GPRESSAVG: 4723000 -48.3977 30.2561 -39.8526 32.2061 34.8608 -34.773 -43.2814 -33.5674 -3.60227 TIMING: 4723000 CPU: 14182, 0.00296504/step Wall: 14182, 0.00296504/step, 0.228143 hours remaining, 210.324219 MB of memory in use. ENERGY: 4723000 754.5775 2023.4800 1953.8008 99.5619 -206452.3782 17702.2976 0.0000 0.0000 34436.9427 -149481.7177 300.7464 -183918.6604 -149388.8276 298.8564 -123.5272 -91.4237 557267.9659 -5.7044 -5.7131 PRESSURE: 4723200 -111.153 -17.2104 -184.423 -17.2113 -172.819 -153.841 -184.422 -153.84 -47.7605 GPRESSURE: 4723200 -85.7878 73.2884 -168.062 18.0957 -110.131 -160.009 -184.066 -192.669 -49.0254 PRESSAVG: 4723200 4.95654 19.2358 23.663 19.2358 -41.7615 10.9485 23.6629 10.9485 38.3772 GPRESSAVG: 4723200 5.65966 18.5934 22.4939 19.2418 -40.6372 11.3349 24.3151 10.5127 36.1964 TIMING: 4723200 CPU: 14182.6, 0.00296316/step Wall: 14182.6, 0.00296316/step, 0.227834 hours remaining, 210.324219 MB of memory in use. ENERGY: 4723200 754.2632 2101.2612 1968.6427 114.5671 -206542.6553 17707.8796 0.0000 0.0000 34173.4983 -149722.5433 298.4457 -183896.0416 -149622.8913 298.6869 -110.5777 -81.6482 557254.6978 0.5241 0.4063 PRESSURE: 4723400 -214.549 141.466 42.579 141.466 1.56527 15.0955 42.5794 15.0954 -276.439 GPRESSURE: 4723400 -193.474 168.529 -6.96633 152.199 30.93 20.6722 47.3838 -47.6919 -241.738 PRESSAVG: 4723400 -10.3795 -0.738531 -16.3847 -0.738563 20.9498 -10.2987 -16.3847 -10.2986 -44.8127 GPRESSAVG: 4723400 -10.4997 1.44131 -16.3761 -2.38232 21.463 -10.5158 -16.6012 -10.6681 -44.7218 TIMING: 4723400 CPU: 14183.2, 0.00297972/step Wall: 14183.2, 0.00297972/step, 0.228942 hours remaining, 210.324219 MB of memory in use. ENERGY: 4723400 740.6174 2060.8574 1916.5112 108.6469 -206389.9606 17635.0173 0.0000 0.0000 34207.1024 -149721.2081 298.7391 -183928.3105 -149623.3899 297.7085 -163.1408 -134.7606 555933.0818 -11.4141 -11.2528 PRESSURE: 4723600 -181.57 78.4076 205.21 78.4086 50.7025 -28.0584 205.211 -28.0585 -356.405 GPRESSURE: 4723600 -91.1079 111.54 204.068 68.053 -4.89189 26.1637 181.205 -119.442 -301.216 PRESSAVG: 4723600 -1.83697 12.9896 23.9421 12.9896 47.9347 -27.6842 23.9421 -27.6842 -13.1901 GPRESSAVG: 4723600 -1.6686 12.3949 23.6206 15.2611 47.0519 -26.4891 23.4749 -28.8705 -12.8492 TIMING: 4723600 CPU: 14183.8, 0.00300786/step Wall: 14183.8, 0.00300786/step, 0.230937 hours remaining, 210.324219 MB of memory in use. ENERGY: 4723600 733.1405 2069.7255 1971.9682 105.7781 -205999.3211 17526.8009 0.0000 0.0000 34114.4257 -149477.4821 297.9298 -183591.9079 -149376.4527 298.5602 -162.4240 -132.4052 557919.6062 10.9692 10.8447 PRESSURE: 4723800 167.478 -1.98123 -26.1581 -1.98079 -132.409 -172.424 -26.16 -172.425 -151.624 GPRESSURE: 4723800 214.336 -91.9425 6.3874 92.5818 -151.46 -163.036 -54.2666 -105.651 -79.783 PRESSAVG: 4723800 -44.6678 31.5312 43.1521 31.5311 39.2382 -58.695 43.1521 -58.695 23.8873 GPRESSAVG: 4723800 -43.9939 27.7902 43.5805 31.0033 38.2977 -59.4882 44.3294 -56.761 23.6432 TIMING: 4723800 CPU: 14184.4, 0.00299643/step Wall: 14184.4, 0.00299643/step, 0.229893 hours remaining, 210.324219 MB of memory in use. ENERGY: 4723800 746.1077 2114.2779 1932.6574 110.4304 -206046.9989 17564.7220 0.0000 0.0000 34174.8828 -149403.9209 298.4578 -183578.8036 -149307.7964 298.6611 -38.8517 -5.6356 557114.5856 6.1526 5.9823 PRESSURE: 4724000 -45.7685 -75.6654 52.6971 -75.6656 -42.0406 -8.38459 52.6967 -8.38499 -92.3758 GPRESSURE: 4724000 -36.1993 -63.9342 -13.1177 -112.465 -6.59139 17.1055 62.8528 42.5547 -34.045 PRESSAVG: 4724000 -30.8947 -9.54257 -3.29964 -9.54257 66.4377 -22.5945 -3.29958 -22.5945 -62.3914 GPRESSAVG: 4724000 -32.0647 -8.87846 -3.19473 -9.63708 68.2968 -22.3612 -3.33648 -22.833 -62.326 TIMING: 4724000 CPU: 14185, 0.00299835/step Wall: 14185, 0.00299835/step, 0.229873 hours remaining, 210.324219 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: 4724000 767.8234 2063.4868 1920.2455 115.5915 -206290.3322 17778.6466 0.0000 0.0000 34295.6393 -149348.8990 299.5123 -183644.5384 -149246.7510 299.0520 -60.0616 -25.6119 556673.7599 -8.9495 -8.6980 PRESSURE: 4724200 -7.85548 -23.8034 -50.8495 -23.8023 -184.511 -109.433 -50.8502 -109.433 -111.597 GPRESSURE: 4724200 -6.67073 -87.6318 -43.5904 125.765 -102.035 -113.596 -25.1919 -67.3184 -104.564 PRESSAVG: 4724200 -29.7208 -39.7414 -60.7546 -39.7414 53.2841 -10.1821 -60.7547 -10.1822 28.2477 GPRESSAVG: 4724200 -30.395 -36.7278 -58.8849 -41.4598 53.7443 -10.6045 -62.6101 -10.1422 28.5329 TIMING: 4724200 CPU: 14185.6, 0.00298351/step Wall: 14185.6, 0.00298352/step, 0.22857 hours remaining, 210.324219 MB of memory in use. ENERGY: 4724200 737.0775 2118.4734 1948.8275 111.1657 -206267.0903 17619.1741 0.0000 0.0000 34377.0306 -149355.3415 300.2232 -183732.3721 -149261.6965 299.2341 -101.3209 -71.0900 557800.4775 17.2703 17.2941 LDB: ============= START OF LOAD BALANCING ============== 14189.1 LDB: ============== END OF LOAD BALANCING =============== 14189.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14189.1 LDB: ============= START OF LOAD BALANCING ============== 14189.4 LDB: Largest compute 4773 load 0.025384 is 21.5% of average load 0.118213 LDB: Average compute 0.001728 is 1.5% of average load 0.118213 LDB: TIME 14189.4 LOAD: AVG 0.118213 MAX 0.220064 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.77 MB LDB: TIME 14189.4 LOAD: AVG 0.118213 MAX 0.220064 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.773 MB LDB: TIME 14189.4 LOAD: AVG 0.118213 MAX 0.220064 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.773 MB LDB: ============== END OF LOAD BALANCING =============== 14189.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14189.4 PRESSURE: 4724400 -169.3 76.1509 119.881 76.1525 -20.5678 -315.622 119.881 -315.622 2.24011 GPRESSURE: 4724400 -95.4798 99.2192 188.82 78.2492 7.71285 -294.673 114.854 -285.663 -6.68321 PRESSAVG: 4724400 -36.4711 -35.2638 15.3292 -35.2637 41.0213 -38.4474 15.3292 -38.4474 22.7358 GPRESSAVG: 4724400 -35.3005 -35.3523 14.4504 -32.84 39.7199 -38.1351 15.095 -38.4036 22.4193 TIMING: 4724400 CPU: 14186.2, 0.00305689/step Wall: 14186.2, 0.00305689/step, 0.234022 hours remaining, 208.996094 MB of memory in use. ENERGY: 4724400 769.7497 2056.3731 1924.4301 110.0324 -206115.5052 17645.7895 0.0000 0.0000 34094.4057 -149514.7246 297.7549 -183609.1303 -149417.0010 298.5280 -62.5426 -31.4834 556688.7381 9.0953 8.9462 PRESSURE: 4724600 -79.501 134.889 24.8245 134.89 -85.7979 -34.9647 24.8235 -34.965 71.7339 GPRESSURE: 4724600 -56.7837 120.427 -2.84727 197.413 -65.6664 -31.3282 64.2785 46.4419 121.775 PRESSAVG: 4724600 11.1893 22.7402 -34.6381 22.7401 -40.9073 -6.54266 -34.6381 -6.54272 11.3875 GPRESSAVG: 4724600 9.38817 22.3596 -35.3259 22.4334 -40.8912 -7.64926 -33.145 -5.72321 12.909 TIMING: 4724600 CPU: 14186.8, 0.00299178/step Wall: 14186.8, 0.00299178/step, 0.228871 hours remaining, 209.179688 MB of memory in use. ENERGY: 4724600 724.5733 2056.1232 1915.3890 109.5004 -206456.7436 17842.0213 0.0000 0.0000 34283.0066 -149526.1298 299.4020 -183809.1364 -149431.7291 298.4256 -31.1884 -0.2250 557532.9539 -6.1102 -6.1980 PRESSURE: 4724800 -112.562 -36.3682 -123.113 -36.369 16.0381 239.907 -123.112 239.906 -19.67 GPRESSURE: 4724800 -165.799 68.8372 -151.4 -46.4045 61.3502 247.919 -111.212 319.544 78.7407 PRESSAVG: 4724800 -28.836 11.3502 -30.4916 11.3501 26.4591 25.6323 -30.4916 25.6323 21.2725 GPRESSAVG: 4724800 -27.8049 12.2142 -30.5111 10.225 26.6262 26.8798 -31.6006 24.7794 20.2092 TIMING: 4724800 CPU: 14187.4, 0.00301257/step Wall: 14187.4, 0.00301257/step, 0.230294 hours remaining, 209.179688 MB of memory in use. ENERGY: 4724800 735.3648 2102.8069 1953.8598 115.9265 -206499.6315 17916.3674 0.0000 0.0000 34220.7250 -149454.5810 298.8581 -183675.3061 -149356.4823 298.9561 -38.7312 -8.5692 557373.9865 6.2985 6.3435 PRESSURE: 4725000 -27.5699 65.2066 61.3664 65.2068 -87.5472 -17.3101 61.3663 -17.3092 -142.665 GPRESSURE: 4725000 2.1319 26.3815 100.804 104.953 -53.7681 -104.233 64.5265 36.7698 -125.664 PRESSAVG: 4725000 -4.15492 5.52038 -35.2011 5.52038 -14.8525 -23.2055 -35.2012 -23.2055 28.6501 GPRESSAVG: 4725000 -3.5455 4.30893 -34.963 6.03302 -15.1484 -25.6735 -32.7167 -21.3156 29.0041 TIMING: 4725000 CPU: 14188, 0.00299315/step Wall: 14188, 0.00299315/step, 0.228644 hours remaining, 209.179688 MB of memory in use. ENERGY: 4725000 726.4528 2083.0047 1946.1919 107.4855 -206122.4001 17616.4215 0.0000 0.0000 34282.8855 -149359.9583 299.4010 -183642.8437 -149260.9950 299.5899 -85.9273 -59.1002 557003.1716 3.2142 3.4367 PRESSURE: 4725200 -35.957 55.3421 54.4771 55.341 -194.129 -37.7647 54.4783 -37.7655 117.431 GPRESSURE: 4725200 12.5054 -24.7454 88.8553 57.6329 -157.292 -7.37576 -12.4554 -42.6985 139.698 PRESSAVG: 4725200 -20.0389 33.0163 59.236 33.0164 -19.5078 -22.8963 59.236 -22.8963 41.3534 GPRESSAVG: 4725200 -18.5873 31.3057 58.7309 34.9255 -19.4639 -20.4768 55.8872 -25.1581 40.275 TIMING: 4725200 CPU: 14188.6, 0.00300093/step Wall: 14188.6, 0.00300093/step, 0.229071 hours remaining, 209.179688 MB of memory in use. ENERGY: 4725200 726.4046 2123.8446 1939.2543 107.5060 -206018.5036 17711.1658 0.0000 0.0000 34423.7079 -148986.6202 300.6308 -183410.3281 -148885.5797 299.7133 -37.5517 -1.6959 557453.7159 0.6022 0.7413 PRESSURE: 4725400 -91.2063 125.216 -189.12 125.216 99.318 -88.6819 -189.12 -88.6809 -126.465 GPRESSURE: 4725400 -55.0727 115.963 -233.597 137.05 145.729 64.7639 -167.186 -115.076 -94.1965 PRESSAVG: 4725400 22.5628 -5.13762 -13.2422 -5.13767 21.4339 -28.1196 -13.2422 -28.1195 -12.5597 GPRESSAVG: 4725400 22.2324 -2.79698 -13.1803 -9.15117 20.4778 -28.2658 -13.3404 -29.283 -11.4353 TIMING: 4725400 CPU: 14189.2, 0.00299188/step Wall: 14189.2, 0.00299188/step, 0.228214 hours remaining, 209.179688 MB of memory in use. ENERGY: 4725400 777.7196 2057.9751 1944.9132 111.5602 -206086.3722 17837.9191 0.0000 0.0000 34272.2477 -149084.0374 299.3081 -183356.2851 -148988.8510 299.4803 -39.4509 -1.1799 557773.9719 10.4790 10.4250 PRESSURE: 4725600 -161.517 20.6337 -72.8438 20.633 17.0504 -36.5867 -72.8426 -36.586 10.1375 GPRESSURE: 4725600 -95.5165 25.3447 10.68 52.2203 56.4269 6.60487 -115.255 57.1951 14.9245 PRESSAVG: 4725600 -61.4817 9.96887 -27.5874 9.96879 49.9539 -21.1935 -27.5873 -21.1935 -0.0719423 GPRESSAVG: 4725600 -61.5844 9.1218 -27.9803 12.7928 50.0899 -21.4488 -25.9451 -19.0758 0.371656 TIMING: 4725600 CPU: 14189.8, 0.00299162/step Wall: 14189.8, 0.00299162/step, 0.228028 hours remaining, 209.382812 MB of memory in use. ENERGY: 4725600 764.7873 2094.7564 1946.5018 110.7271 -206174.9461 17915.8425 0.0000 0.0000 34250.9207 -149091.4104 299.1218 -183342.3311 -148997.7815 299.2405 -44.7764 -8.0550 558579.7554 -3.8666 -3.7076 PRESSURE: 4725800 -176.917 90.2391 -154.427 90.2387 41.5792 88.5851 -154.428 88.5847 0.201029 GPRESSURE: 4725800 -184.833 50.5226 -217.109 170.215 61.2811 32.6368 -70.7113 122.575 91.3468 PRESSAVG: 4725800 -83.5741 -10.605 -76.9551 -10.6051 50.5766 -14.7992 -76.9552 -14.7992 5.81535 GPRESSAVG: 4725800 -84.2018 -11.1023 -77.0018 -10.5771 51.4255 -14.2654 -75.584 -17.3499 5.93846 TIMING: 4725800 CPU: 14190.4, 0.00300442/step Wall: 14190.4, 0.00300442/step, 0.228837 hours remaining, 209.382812 MB of memory in use. ENERGY: 4725800 705.0178 2034.2383 1944.5130 107.2789 -206046.6049 17886.6665 0.0000 0.0000 34261.1768 -149107.7137 299.2114 -183368.8904 -149011.5282 299.1760 -45.0455 -10.7349 559590.8397 -9.0607 -8.9459 PRESSURE: 4726000 -38.3621 28.1916 53.8968 28.1904 -161.359 49.931 53.8966 49.9315 -49.3713 GPRESSURE: 4726000 -32.918 40.9078 103.311 78.8922 -79.5575 35.447 -25.3567 78.4747 -31.6271 PRESSAVG: 4726000 16.4715 -32.3822 -14.6389 -32.3822 -44.6013 -31.524 -14.6389 -31.5239 35.3625 GPRESSAVG: 4726000 15.7419 -30.2595 -14.7615 -32.6086 -44.8553 -32.1511 -16.9477 -29.4863 36.6989 TIMING: 4726000 CPU: 14191, 0.00303055/step Wall: 14191, 0.00303055/step, 0.230658 hours remaining, 209.382812 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: 4726000 747.8092 2049.6931 1962.0694 115.7627 -206258.1363 17968.9047 0.0000 0.0000 34198.3093 -149215.5879 298.6623 -183413.8972 -149121.5464 299.1989 -83.0309 -48.0342 560048.6071 2.4109 2.5285 PRESSURE: 4726200 -312.081 -53.5406 102.076 -53.541 81.105 -52.0486 102.077 -52.0476 -250.788 GPRESSURE: 4726200 -295.591 -101.803 69.1945 -69.8017 92.3814 62.5259 70.7035 -57.1387 -188.085 PRESSAVG: 4726200 13.386 -51.1833 -5.48032 -51.1833 -16.2055 -16.9689 -5.48032 -16.9689 -25.7065 GPRESSAVG: 4726200 15.1247 -52.8016 -6.65131 -50.8266 -18.0549 -15.4116 -4.19849 -15.9267 -26.1187 TIMING: 4726200 CPU: 14191.6, 0.0029927/step Wall: 14191.6, 0.0029927/step, 0.227612 hours remaining, 209.382812 MB of memory in use. ENERGY: 4726200 716.6309 2102.4693 1947.2110 95.1539 -206030.6395 17601.9248 0.0000 0.0000 34278.2388 -149289.0107 299.3604 -183567.2495 -149192.4658 299.1634 -160.5880 -130.4317 557841.0380 -9.5087 -9.6830 PRESSURE: 4726400 104.371 -25.4567 73.6482 -25.4574 3.95258 -5.68492 73.6489 -5.68414 -17.5321 GPRESSURE: 4726400 124.525 -14.4154 70.0123 -53.1589 55.3583 17.5245 89.7891 21.2437 1.92825 PRESSAVG: 4726400 32.3649 -26.2569 14.6243 -26.2568 41.7876 21.1214 14.6243 21.1214 -43.7549 GPRESSAVG: 4726400 31.7045 -25.4452 14.4799 -27.2328 43.7556 19.568 12.8736 19.4768 -44.764 TIMING: 4726400 CPU: 14192.2, 0.00299588/step Wall: 14192.2, 0.00299588/step, 0.227687 hours remaining, 209.382812 MB of memory in use. ENERGY: 4726400 745.4810 2059.5847 1927.4888 118.7763 -206270.2269 17872.2576 0.0000 0.0000 34114.7417 -149431.8968 297.9325 -183546.6385 -149335.6494 299.0744 30.2638 60.6038 557082.4158 10.1325 10.2320 PRESSURE: 4726600 326.238 -70.7646 78.9561 -70.7643 210.672 175.553 78.9568 175.552 217.631 GPRESSURE: 4726600 332.88 -17.6925 85.1005 -31.1346 244.483 194.334 52.6737 113.492 267.759 PRESSAVG: 4726600 18.0252 1.68389 -19.1624 1.68388 12.4656 -1.32814 -19.1623 -1.32816 -3.75558 GPRESSAVG: 4726600 18.0227 1.59676 -16.7065 1.817 11.705 -1.90658 -18.1817 -2.50836 -2.9145 TIMING: 4726600 CPU: 14192.8, 0.00297935/step Wall: 14192.8, 0.00297935/step, 0.226265 hours remaining, 209.382812 MB of memory in use. ENERGY: 4726600 736.5284 2034.8234 1898.3278 106.8578 -206680.0992 18351.8384 0.0000 0.0000 34142.5968 -149409.1265 298.1758 -183551.7233 -149314.3249 298.5412 251.5137 281.7072 556794.7912 8.9117 8.9377 PRESSURE: 4726800 -82.3889 -76.8196 9.47188 -76.8193 -186.456 -61.6241 9.47279 -61.6256 -151.654 GPRESSURE: 4726800 -77.3218 -96.3521 14.7902 -51.1955 -169.342 -50.0318 -78.8752 -76.2978 -94.0449 PRESSAVG: 4726800 -6.31277 -33.6284 20.8143 -33.6284 -5.9343 -8.48174 20.8144 -8.48181 34.7249 GPRESSAVG: 4726800 -5.95135 -33.8661 18.2706 -32.2842 -5.93008 -8.13245 21.6323 -7.58599 33.7532 TIMING: 4726800 CPU: 14193.4, 0.00296366/step Wall: 14193.4, 0.00296366/step, 0.224909 hours remaining, 209.382812 MB of memory in use. ENERGY: 4726800 765.3195 2120.7119 1921.9846 98.4787 -206077.5306 17551.0341 0.0000 0.0000 34243.1859 -149376.8159 299.0543 -183620.0018 -149273.8552 298.9695 -140.1664 -113.5696 556805.1016 7.4926 7.2906 PRESSURE: 4727000 -27.019 27.6439 -215.148 27.6441 78.9271 -68.3968 -215.148 -68.3975 42.5538 GPRESSURE: 4727000 -7.32601 52.8775 -162.436 -21.6768 150.454 -56.2383 -226.996 -23.1225 54.2425 PRESSAVG: 4727000 88.436 -34.9501 17.257 -34.95 -51.2815 26.061 17.2571 26.0611 -28.8419 GPRESSAVG: 4727000 87.2187 -34.1932 20.1103 -36.0754 -51.2229 27.1548 17.2629 26.5069 -28.2856 TIMING: 4727000 CPU: 14194, 0.00300075/step Wall: 14194, 0.00300075/step, 0.227557 hours remaining, 209.382812 MB of memory in use. ENERGY: 4727000 731.3539 2069.5748 1928.1656 106.5037 -206314.4474 17836.7371 0.0000 0.0000 34259.1960 -149382.9163 299.1941 -183642.1123 -149295.1429 298.4538 31.4873 65.7902 557484.5325 2.7709 2.5701 PRESSURE: 4727200 0.512035 -129.591 220.966 -129.591 187.328 104.318 220.968 104.318 -48.7334 GPRESSURE: 4727200 -7.61726 -74.7095 216.6 -108 293.338 90.3737 122.53 182.786 -42.3831 PRESSAVG: 4727200 2.14704 34.215 -10.8255 34.2149 14.4642 61.2129 -10.8255 61.2128 -46.4953 GPRESSAVG: 4727200 1.37924 32.6912 -12.5774 33.9244 15.1658 60.7527 -11.5607 61.6284 -46.6999 TIMING: 4727200 CPU: 14194.6, 0.00298851/step Wall: 14194.6, 0.00298851/step, 0.226463 hours remaining, 209.382812 MB of memory in use. ENERGY: 4727200 744.2463 2079.1915 1901.7447 116.9668 -206186.0056 17780.7669 0.0000 0.0000 34242.4664 -149320.6231 299.0480 -183563.0895 -149229.4708 298.6842 46.3688 81.1127 557656.2245 -9.9613 -10.0516 PRESSURE: 4727400 22.3379 -45.2927 -15.633 -45.2917 -247.888 31.7046 -15.6326 31.7045 11.3011 GPRESSURE: 4727400 99.0888 10.6281 -7.32571 -33.684 -184.379 71.4478 60.0047 -31.7962 -23.9465 PRESSAVG: 4727400 1.54613 38.7789 37.1813 38.7789 -15.2122 -7.36722 37.1814 -7.36724 3.20018 GPRESSAVG: 4727400 2.58448 41.1727 36.0608 38.6625 -16.2066 -9.26441 37.6833 -9.089 2.8404 TIMING: 4727400 CPU: 14195.2, 0.00302138/step Wall: 14195.2, 0.00302138/step, 0.228786 hours remaining, 209.382812 MB of memory in use. ENERGY: 4727400 728.8977 2070.7764 1917.7966 112.5307 -206230.9753 17840.0548 0.0000 0.0000 34130.4856 -149430.4334 298.0700 -183560.9190 -149339.7462 298.6545 -71.4163 -36.4123 558580.5766 -3.4886 -3.5939 PRESSURE: 4727600 -264.305 -20.5282 62.2595 -20.5294 116.397 -8.74435 62.2594 -8.7438 -154.407 GPRESSURE: 4727600 -231.538 7.19616 74.7575 -45.1727 104.004 -49.6628 80.9544 57.6308 -75.6981 PRESSAVG: 4727600 -6.59362 1.97517 -81.1784 1.97511 13.6032 -14.8218 -81.1785 -14.8219 -8.77843 GPRESSAVG: 4727600 -7.063 1.58394 -80.1256 2.29712 14.1236 -12.9877 -80.8678 -12.7184 -9.22786 TIMING: 4727600 CPU: 14195.8, 0.0029951/step Wall: 14195.8, 0.0029951/step, 0.22663 hours remaining, 209.382812 MB of memory in use. ENERGY: 4727600 745.0288 2054.4472 1933.6792 114.4089 -206254.4117 17693.2306 0.0000 0.0000 34400.8329 -149312.7842 300.4310 -183713.6171 -149219.9014 299.2230 -100.7717 -67.7441 560022.2507 -0.5896 -0.7224 PRESSURE: 4727800 218.312 17.7656 -125.253 17.766 85.8801 36.4437 -125.254 36.4438 99.7966 GPRESSURE: 4727800 219.603 -21.419 -118.207 55.0754 159.806 11.6659 -143.091 49.1418 112.328 PRESSAVG: 4727800 -26.1727 55.3119 -41.4497 55.312 98.2574 -9.71315 -41.4497 -9.71326 -28.9686 GPRESSAVG: 4727800 -26.2515 52.5612 -40.2844 56.1763 98.0625 -8.9613 -41.9582 -11.3857 -28.4631 TIMING: 4727800 CPU: 14196.4, 0.00297404/step Wall: 14196.4, 0.00297404/step, 0.224871 hours remaining, 209.382812 MB of memory in use. ENERGY: 4727800 761.0076 2075.1121 1922.2426 119.2817 -206633.7134 18105.9417 0.0000 0.0000 34244.9560 -149405.1717 299.0697 -183650.1277 -149302.6880 298.9950 134.6628 163.9124 556828.6116 14.3720 14.4493 PRESSURE: 4728000 -91.5269 151.113 200.716 151.112 -25.1347 -1.50901 200.716 -1.51067 -129.949 GPRESSURE: 4728000 -32.9848 132.65 290.598 173.187 -13.8875 28.1364 115.609 -14.6676 -98.3974 PRESSAVG: 4728000 -5.98007 40.4234 -44.9868 40.4234 -22.882 -19.1643 -44.9868 -19.1644 6.33129 GPRESSAVG: 4728000 -4.92249 42.5477 -44.5167 38.1028 -23.795 -17.3328 -46.3111 -18.8409 6.67979 TIMING: 4728000 CPU: 14197, 0.0029647/step Wall: 14197, 0.0029647/step, 0.224 hours remaining, 209.382812 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: 4728000 740.2080 2102.9542 1903.6999 108.6404 -206714.1678 18032.2933 0.0000 0.0000 34281.3161 -149545.0558 299.3873 -183826.3719 -149450.9707 298.4253 -82.2036 -48.4232 558025.4767 -7.5103 -7.3459 PRESSURE: 4728200 -170.005 85.2085 -58.9552 85.2096 -146.975 -35.3489 -58.9557 -35.3503 -7.37246 GPRESSURE: 4728200 -130.431 124.357 -59.5925 122.523 -104.412 -114.136 -81.3445 -70.2579 3.1822 PRESSAVG: 4728200 114.698 5.31222 -25.5419 5.31223 -54.7369 9.18562 -25.542 9.18554 -17.9304 GPRESSAVG: 4728200 114.533 4.34936 -25.3204 5.20609 -52.647 7.44243 -26.0554 8.86929 -19.6465 TIMING: 4728200 CPU: 14197.6, 0.00296994/step Wall: 14197.6, 0.00296994/step, 0.22423 hours remaining, 209.382812 MB of memory in use. ENERGY: 4728200 727.1969 2043.2748 1911.4018 107.7225 -206236.9094 17736.0510 0.0000 0.0000 34204.3970 -149506.8653 298.7155 -183711.2623 -149407.9136 298.3346 -108.1175 -77.2204 557251.1512 14.0103 14.0799 LDB: ============= START OF LOAD BALANCING ============== 14201.1 LDB: ============== END OF LOAD BALANCING =============== 14201.1 LDB: =============== DONE WITH MIGRATION ================ 14201.1 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 14201.4 LDB: Largest compute 4773 load 0.026613 is 22.5% of average load 0.118219 LDB: Average compute 0.001726 is 1.5% of average load 0.118219 LDB: TIME 14201.4 LOAD: AVG 0.118219 MAX 0.215893 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.723 MB LDB: TIME 14201.4 LOAD: AVG 0.118219 MAX 0.215893 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.793 MB LDB: TIME 14201.4 LOAD: AVG 0.118219 MAX 0.215893 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.793 MB LDB: ============== END OF LOAD BALANCING =============== 14201.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14201.4 PRESSURE: 4728400 -111.894 -48.3363 220.143 -48.3363 -239.396 104.934 220.142 104.934 -73.2542 GPRESSURE: 4728400 -77.3169 -79.9004 261.074 13.2121 -212.672 118.984 195.023 51.9798 -49.405 PRESSAVG: 4728400 12.1571 32.8601 11.3645 32.8601 38.7181 25.7765 11.3645 25.7765 -37.8518 GPRESSAVG: 4728400 11.5581 32.6873 9.42103 35.0623 37.4611 25.2705 14.1459 26.8448 -36.1654 TIMING: 4728400 CPU: 14198.2, 0.00304688/step Wall: 14198.2, 0.00304688/step, 0.22987 hours remaining, 208.464844 MB of memory in use. ENERGY: 4728400 746.4039 2075.2253 1911.3684 111.6920 -206175.1307 17670.2143 0.0000 0.0000 34212.0102 -149448.2166 298.7820 -183660.2269 -149345.1265 298.3139 -141.5146 -113.1314 557121.6993 4.3411 4.2846 PRESSURE: 4728600 -255.653 120.058 -129.491 120.059 -331.269 28.8044 -129.491 28.8043 -514.559 GPRESSURE: 4728600 -305.891 117.419 -104.929 153.839 -263.139 24.6976 -126.002 -17.0151 -427.447 PRESSAVG: 4728600 2.75892 30.8904 68.8525 30.8904 -36.569 4.53676 68.8525 4.53681 15.3077 GPRESSAVG: 4728600 1.65591 29.5222 69.3879 32.52 -35.7303 4.44073 66.9989 5.7721 15.7653 TIMING: 4728600 CPU: 14198.8, 0.00298384/step Wall: 14198.8, 0.00298384/step, 0.224948 hours remaining, 208.964844 MB of memory in use. ENERGY: 4728600 756.7566 2082.4153 1932.4279 102.8628 -205723.7650 17349.7971 0.0000 0.0000 34199.4472 -149300.0580 298.6723 -183499.5053 -149199.4813 299.0239 -367.1603 -332.1592 559558.7342 -6.1675 -6.1030 PRESSURE: 4728800 85.1208 -29.0326 68.2481 -29.0337 -174.777 117.056 68.2468 117.054 -57.7684 GPRESSURE: 4728800 106.871 -90.0157 39.4007 3.77203 -135.083 45.082 51.4326 132.707 -6.12789 PRESSAVG: 4728800 -62.2717 -8.10367 60.8625 -8.10372 -34.544 43.5473 60.8624 43.5473 80.0406 GPRESSAVG: 4728800 -61.4605 -7.87869 62.9474 -8.96294 -34.4739 44.2258 60.5393 42.0009 79.4554 TIMING: 4728800 CPU: 14199.4, 0.00295575/step Wall: 14199.4, 0.00295575/step, 0.222666 hours remaining, 209.023438 MB of memory in use. ENERGY: 4728800 728.3338 2068.8140 1940.4757 128.9755 -206344.3439 17728.1720 0.0000 0.0000 34523.8457 -149225.7272 301.5053 -183749.5729 -149124.4851 299.4412 -49.1415 -11.4466 556548.1055 -5.5917 -5.4930 PRESSURE: 4729000 -102.117 132.887 -24.0978 132.886 -109.316 -1.33743 -24.0971 -1.33716 -78.3685 GPRESSURE: 4729000 -70.8156 131.74 75.8632 138.708 -90.2345 12.7517 -62.7674 59.532 -32.5063 PRESSAVG: 4729000 -9.5472 -7.45578 3.0535 -7.45569 -64.2025 9.85682 3.05352 9.85692 44.9637 GPRESSAVG: 4729000 -8.97215 -6.74791 2.32709 -8.46528 -64.5088 10.0464 3.86271 10.2597 44.8593 TIMING: 4729000 CPU: 14200, 0.00296641/step Wall: 14200, 0.00296641/step, 0.223305 hours remaining, 209.023438 MB of memory in use. ENERGY: 4729000 751.5994 2068.8088 1932.6139 105.4439 -206426.7829 17832.8898 0.0000 0.0000 34451.0768 -149284.3505 300.8698 -183735.4273 -149185.1898 300.0250 -96.6003 -64.5188 557957.7721 -9.5954 -9.5405 PRESSURE: 4729200 320.542 -120.658 84.0579 -120.657 -89.9039 150.248 84.0577 150.248 297.757 GPRESSURE: 4729200 314.649 -75.7428 108.344 -123.288 -67.5536 96.4105 74.5091 215.2 362.444 PRESSAVG: 4729200 1.74497 -41.668 -83.7245 -41.6679 -51.9133 -57.414 -83.7246 -57.4139 35.9314 GPRESSAVG: 4729200 2.24363 -42.216 -84.703 -42.8187 -51.6022 -56.5569 -83.0741 -57.5647 35.2798 TIMING: 4729200 CPU: 14200.5, 0.00296352/step Wall: 14200.5, 0.00296352/step, 0.222922 hours remaining, 209.023438 MB of memory in use. ENERGY: 4729200 744.0336 2082.4151 1913.6845 111.8042 -206243.3625 17967.4971 0.0000 0.0000 34218.6813 -149205.2468 298.8403 -183423.9280 -149111.3693 299.5341 176.1316 203.1800 557670.5232 -4.7456 -4.6929 PRESSURE: 4729400 -121.47 87.1666 -108.918 87.1655 -105.052 136.819 -108.918 136.82 6.96194 GPRESSURE: 4729400 -76.1864 51.8517 -71.207 122.885 -108.255 140.758 -171.934 91.2439 54.4212 PRESSAVG: 4729400 14.8775 -49.4953 -6.98872 -49.4954 -76.3176 -22.769 -6.9887 -22.7689 40.0296 GPRESSAVG: 4729400 13.2281 -49.6318 -5.9311 -48.2052 -76.5207 -24.7818 -9.0484 -21.8971 41.4293 TIMING: 4729400 CPU: 14201.1, 0.00297153/step Wall: 14201.1, 0.00297153/step, 0.22336 hours remaining, 209.023438 MB of memory in use. ENERGY: 4729400 765.3768 2031.2206 1954.1125 106.9618 -205820.6041 17693.1168 0.0000 0.0000 34124.2636 -149145.5520 298.0157 -183269.8156 -149050.4583 299.2929 -73.1869 -43.3400 559678.5918 -7.1368 -7.2878 PRESSURE: 4729600 -245.93 -187.61 67.658 -187.611 -156.707 74.112 67.6583 74.1106 64.7649 GPRESSURE: 4729600 -215.132 -137.64 124.702 -193.447 -124.658 119.455 119.525 82.8693 95.4363 PRESSAVG: 4729600 29.7653 -56.1204 83.0326 -56.1205 53.532 36.2702 83.0325 36.2703 -16.984 GPRESSAVG: 4729600 29.7331 -55.4559 82.2657 -57.069 53.2916 36.7212 84.1035 36.4497 -16.9136 TIMING: 4729600 CPU: 14201.7, 0.00299032/step Wall: 14201.7, 0.00299032/step, 0.224606 hours remaining, 209.023438 MB of memory in use. ENERGY: 4729600 725.9384 2096.6626 1924.7729 106.8382 -206184.2641 17735.8700 0.0000 0.0000 34280.0591 -149314.1229 299.3763 -183594.1821 -149223.8878 299.7313 -112.6240 -81.4513 559186.6215 22.1044 22.0370 PRESSURE: 4729800 314.602 102.276 102.58 102.276 2.45979 55.114 102.579 55.1146 -119.369 GPRESSURE: 4729800 337.212 39.1273 17.7658 91.7261 102.785 29.7714 115.693 105.067 -142.248 PRESSAVG: 4729800 -4.53828 -3.41041 32.5369 -3.4105 -31.2349 66.7343 32.5369 66.7343 5.35747 GPRESSAVG: 4729800 -4.18082 -2.30962 32.3535 -2.58959 -31.149 67.0016 34.2883 67.6384 4.47148 TIMING: 4729800 CPU: 14202.3, 0.00302087/step Wall: 14202.3, 0.00302087/step, 0.226733 hours remaining, 209.023438 MB of memory in use. ENERGY: 4729800 680.9456 2056.8731 1913.3032 118.5298 -206097.6808 17867.9133 0.0000 0.0000 34113.3237 -149346.7922 297.9201 -183460.1159 -149249.5123 298.6153 65.8977 99.2498 557829.2313 -10.1386 -10.2861 PRESSURE: 4730000 49.8712 -0.094849 64.9466 -0.0947137 101.479 -47.3009 64.9467 -47.3 60.5562 GPRESSURE: 4730000 119.289 -63.6563 21.3423 31.2556 109.444 -65.9223 -14.1743 -12.2694 69.9371 PRESSAVG: 4730000 47.6342 -24.5899 13.532 -24.5899 -43.5497 -1.99806 13.5321 -1.99805 3.63449 GPRESSAVG: 4730000 47.1132 -25.4209 14.6113 -25.3002 -43.206 -2.31462 12.6022 -3.18758 4.09583 TIMING: 4730000 CPU: 14202.9, 0.00299964/step Wall: 14202.9, 0.00299964/step, 0.224973 hours remaining, 209.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4730000 725.9407 2109.4275 1907.2657 111.0250 -206368.5781 17898.1400 0.0000 0.0000 34289.5856 -149327.1937 299.4595 -183616.7793 -149231.7346 298.6133 70.6355 99.5567 557472.6901 2.5730 2.6677 PRESSURE: 4730200 -0.548289 70.2415 135.53 70.242 43.5937 -159.446 135.529 -159.445 165.248 GPRESSURE: 4730200 60.7253 95.9387 60.5706 44.2862 105.858 -147.624 117.339 -180.078 146.739 PRESSAVG: 4730200 32.2179 3.7211 40.34 3.72114 -74.0871 -20.3896 40.34 -20.3896 41.5804 GPRESSAVG: 4730200 33.2066 3.64288 37.5795 3.59012 -74.5486 -19.8341 41.7484 -20.2222 40.8396 TIMING: 4730200 CPU: 14203.5, 0.00298646/step Wall: 14203.5, 0.00298646/step, 0.223819 hours remaining, 209.023438 MB of memory in use. ENERGY: 4730200 709.1455 2079.2675 1903.7224 128.3022 -206271.0903 17757.7582 0.0000 0.0000 34249.3637 -149443.5308 299.1082 -183692.8945 -149348.0215 298.4080 69.4311 104.4408 556166.4512 -0.0962 -0.1674 PRESSURE: 4730400 155.167 176.03 85.4149 176.031 120.311 104.543 85.4154 104.542 38.5637 GPRESSURE: 4730400 142.553 252.525 183.309 287.913 168.504 53.0971 69.9983 161.917 98.7867 PRESSAVG: 4730400 72.0958 -36.2916 47.1819 -36.2916 -45.206 21.6215 47.1818 21.6215 43.2682 GPRESSAVG: 4730400 71.3293 -35.8791 48.7524 -35.9571 -44.7166 21.8535 45.9043 21.2934 44.4184 TIMING: 4730400 CPU: 14204.1, 0.00301997/step Wall: 14204.1, 0.00301997/step, 0.226162 hours remaining, 209.023438 MB of memory in use. ENERGY: 4730400 725.8368 2086.1257 1935.3920 104.6903 -206338.3359 17912.8953 0.0000 0.0000 34296.8125 -149276.5834 299.5226 -183573.3958 -149177.7972 299.0921 104.6805 136.6146 556867.3984 23.3860 23.6770 PRESSURE: 4730600 -7.62449 -15.8808 49.5793 -15.8802 -52.9809 -78.6312 49.5792 -78.632 302.805 GPRESSURE: 4730600 -0.391649 -12.7796 67.1608 -8.44623 25.4402 38.8127 21.3329 -132.119 308.352 PRESSAVG: 4730600 53.1112 -0.478832 75.8611 -0.478776 -60.4475 32.9519 75.8611 32.9519 -23.2398 GPRESSAVG: 4730600 54.4223 0.450473 76.951 -1.12824 -61.8063 30.4863 76.5703 35.3988 -23.8142 TIMING: 4730600 CPU: 14204.7, 0.00297828/step Wall: 14204.7, 0.00297828/step, 0.222874 hours remaining, 209.023438 MB of memory in use. ENERGY: 4730600 729.8845 2079.3632 1926.2494 125.5332 -206136.7989 17825.0187 0.0000 0.0000 34314.1233 -149136.6266 299.6738 -183450.7498 -149043.2372 299.1249 80.7333 111.1336 556433.8696 -10.1920 -10.3994 PRESSURE: 4730800 -100.324 -68.8728 -121.042 -68.8724 -244.686 173.845 -121.044 173.844 -302.071 GPRESSURE: 4730800 -45.9388 -102.063 -200.469 -107.725 -258.12 194.369 -56.0171 109.638 -246.842 PRESSAVG: 4730800 16.6046 -57.5765 21.7414 -57.5766 -9.29167 -6.51799 21.7414 -6.51809 -30.6951 GPRESSAVG: 4730800 15.1885 -58.7215 22.0779 -57.8342 -8.91074 -3.70797 22.5863 -9.10792 -30.062 TIMING: 4730800 CPU: 14205.3, 0.00300908/step Wall: 14205.3, 0.00300908/step, 0.225013 hours remaining, 209.035156 MB of memory in use. ENERGY: 4730800 757.9177 2070.7211 1936.7268 107.2293 -205473.2816 17367.8002 0.0000 0.0000 34171.4786 -149061.4079 298.4280 -183232.8865 -148961.5643 299.8690 -215.6936 -183.6339 556884.6495 -7.7941 -7.9281 PRESSURE: 4731000 -96.7052 -117.749 -33.0862 -117.749 -206.436 58.843 -33.087 58.8436 -16.8177 GPRESSURE: 4731000 -30.8292 -147.553 15.6994 -124.449 -161.207 59.0083 -38.249 130.368 -34.3934 PRESSAVG: 4731000 13.8481 -5.36735 -20.027 -5.36732 3.55975 -12.5102 -20.0269 -12.5102 -10.7615 GPRESSAVG: 4731000 13.196 -3.66787 -20.255 -4.48983 3.24245 -12.4548 -21.9508 -11.7229 -9.49038 TIMING: 4731000 CPU: 14205.9, 0.00301933/step Wall: 14205.9, 0.00301933/step, 0.225611 hours remaining, 209.035156 MB of memory in use. ENERGY: 4731000 736.2707 2074.7217 1948.2514 114.2363 -205652.5380 17529.7767 0.0000 0.0000 34180.8977 -149068.3835 298.5103 -183249.2812 -148979.3890 299.3477 -106.6530 -75.4765 557226.2869 2.2155 2.3160 PRESSURE: 4731200 114.774 79.0459 -83.4537 79.0467 73.9906 -31.6187 -83.4539 -31.6195 -94.9226 GPRESSURE: 4731200 181.235 75.0924 -75.5535 56.7686 84.6763 8.48919 -114.187 20.9248 -91.5077 PRESSAVG: 4731200 5.38012 -67.2358 -7.43675 -67.2357 -58.4863 12.7167 -7.43677 12.7167 42.3085 GPRESSAVG: 4731200 6.99633 -68.6989 -7.31091 -65.8884 -58.0574 12.0903 -7.47427 12.0748 40.2778 TIMING: 4731200 CPU: 14206.5, 0.00299216/step Wall: 14206.5, 0.00299216/step, 0.223415 hours remaining, 209.035156 MB of memory in use. ENERGY: 4731200 775.1244 2117.8649 1915.6505 108.2015 -206304.9220 17908.2234 0.0000 0.0000 34401.9987 -149077.8585 300.4412 -183479.8572 -148979.0601 299.4677 31.2808 58.1346 557842.8230 -3.5992 -3.5944 PRESSURE: 4731400 111.304 -78.4667 -51.4752 -78.4665 13.8679 -20.8562 -51.4755 -20.8544 249.805 GPRESSURE: 4731400 168.698 -94.386 22.1814 -117.606 41.1121 27.3272 -118.285 -53.2341 252.533 PRESSAVG: 4731400 20.4225 14.704 -33.9082 14.7039 -85.4703 -38.6061 -33.9082 -38.6062 117.916 GPRESSAVG: 4731400 20.0424 16.8406 -32.8387 11.6879 -85.5544 -36.1244 -31.8615 -40.6854 118.367 TIMING: 4731400 CPU: 14207.1, 0.00300947/step Wall: 14207.1, 0.00300947/step, 0.22454 hours remaining, 209.035156 MB of memory in use. ENERGY: 4731400 738.2801 2096.0263 1908.2508 135.0988 -206379.3975 17942.2149 0.0000 0.0000 34459.4209 -149100.1058 300.9427 -183559.5266 -149000.3460 300.0822 124.9925 154.1141 557326.1284 17.6227 17.6184 PRESSURE: 4731600 -59.9848 -3.96626 82.6903 -3.9665 -66.4289 160.121 82.6905 160.121 -45.298 GPRESSURE: 4731600 -58.314 -7.22795 160.997 45.4784 -52.2223 135.609 42.4461 141.331 40.3662 PRESSAVG: 4731600 -0.532863 -14.4702 58.0888 -14.4702 -4.74044 35.9089 58.0887 35.909 10.0969 GPRESSAVG: 4731600 -0.278407 -14.318 58.8828 -14.1885 -5.33358 34.0529 56.2122 36.6196 10.2916 TIMING: 4731600 CPU: 14207.7, 0.00299654/step Wall: 14207.7, 0.00299654/step, 0.223408 hours remaining, 209.035156 MB of memory in use. ENERGY: 4731600 725.8451 2079.2594 1939.3417 116.4485 -205947.9359 17684.3757 0.0000 0.0000 34340.5633 -149062.1021 299.9047 -183402.6653 -148963.0418 299.5489 -57.2372 -23.3900 558262.8530 1.6079 1.5599 PRESSURE: 4731800 -211.272 82.6489 -58.9865 82.6497 72.3992 14.9944 -58.9863 14.9933 -56.7245 GPRESSURE: 4731800 -186.749 -2.12876 -7.21145 102.866 75.0969 49.9801 -100.811 30.7959 13.7191 PRESSAVG: 4731800 -6.30377 20.5749 -44.3757 20.575 24.5726 42.0098 -44.3757 42.0099 -24.1645 GPRESSAVG: 4731800 -6.72789 19.222 -45.9963 22.4287 24.3486 42.074 -43.2788 42.9117 -24.0446 TIMING: 4731800 CPU: 14208.3, 0.00298917/step Wall: 14208.3, 0.00298917/step, 0.222693 hours remaining, 209.035156 MB of memory in use. ENERGY: 4731800 747.4551 2167.2716 1925.7098 106.4066 -205956.5728 17713.2101 0.0000 0.0000 34178.1821 -149118.3375 298.4866 -183296.5196 -149024.9685 299.5365 -65.1992 -32.6443 559035.8112 -1.9652 -2.1413 PRESSURE: 4732000 141.633 201.918 -181.27 201.918 39.0106 180.53 -181.271 180.531 -221.607 GPRESSURE: 4732000 158.365 161.622 -210.539 199.95 119.574 250.204 -112.635 177.915 -217.245 PRESSAVG: 4732000 58.6957 25.3038 -88.9809 25.3038 -1.86331 36.9978 -88.981 36.9977 -16.7307 GPRESSAVG: 4732000 58.5313 24.6386 -92.0494 24.7666 -1.94243 36.756 -88.2924 36.5544 -15.981 TIMING: 4732000 CPU: 14208.9, 0.00301041/step Wall: 14208.9, 0.00301041/step, 0.224109 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: 4732000 767.0575 2042.4649 1910.1475 105.0469 -206149.2825 17864.2034 0.0000 0.0000 34253.6223 -149206.7400 299.1454 -183460.3623 -149106.0543 299.2354 -13.6546 20.2311 556459.8792 13.3672 13.5360 PRESSURE: 4732200 59.1082 -37.9898 -58.0337 -37.9897 89.9419 -107.767 -58.0336 -107.767 -115.156 GPRESSURE: 4732200 90.4842 -18.1685 -28.8509 -99.9537 156.11 -75.0507 -8.18021 -121.998 -113.204 PRESSAVG: 4732200 4.34023 62.2594 -19.7773 62.2595 -14.4939 -17.9325 -19.7774 -17.9326 23.7215 GPRESSAVG: 4732200 4.55878 62.3205 -17.8215 62.3027 -14.8733 -18.5706 -22.2472 -16.8966 23.3502 TIMING: 4732200 CPU: 14209.5, 0.00298769/step Wall: 14209.5, 0.00298769/step, 0.222251 hours remaining, 209.035156 MB of memory in use. ENERGY: 4732200 694.5899 2121.6361 1936.0380 111.9493 -206046.5432 17702.3769 0.0000 0.0000 34281.9776 -149197.9754 299.3930 -183479.9530 -149107.7004 299.4604 11.2981 44.4633 555740.8833 4.5226 4.3452 LDB: ============= START OF LOAD BALANCING ============== 14213.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14213.1 LDB: =============== DONE WITH MIGRATION ================ 14213.1 LDB: ============= START OF LOAD BALANCING ============== 14213.4 LDB: Largest compute 4773 load 0.026037 is 22.0% of average load 0.118223 LDB: Average compute 0.001732 is 1.5% of average load 0.118223 LDB: TIME 14213.4 LOAD: AVG 0.118223 MAX 0.214172 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.004 MB LDB: TIME 14213.4 LOAD: AVG 0.118223 MAX 0.214172 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.207 MB LDB: TIME 14213.4 LOAD: AVG 0.118223 MAX 0.214172 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.207 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14213.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14213.4 PRESSURE: 4732400 -55.4542 3.25984 -55.5757 3.26001 -45.0973 -149.974 -55.5746 -149.974 -245.9 GPRESSURE: 4732400 -20.5318 -4.05562 -3.13903 -6.79136 -83.5776 -154.176 19.8984 -177.132 -152.375 PRESSAVG: 4732400 41.7453 -31.2873 47.1859 -31.2873 -52.4271 -22.4777 47.1859 -22.4776 -18.0518 GPRESSAVG: 4732400 42.1667 -29.3592 48.65 -34.0842 -53.1596 -22.095 48.7977 -22.4739 -17.94 TIMING: 4732400 CPU: 14210.1, 0.00301095/step Wall: 14210.1, 0.00301094/step, 0.223814 hours remaining, 209.804688 MB of memory in use. ENERGY: 4732400 735.2328 2086.8710 1919.0628 104.6435 -205932.6390 17492.8525 0.0000 0.0000 34241.0949 -149352.8815 299.0360 -183593.9764 -149258.1770 299.3391 -115.4840 -85.4949 557624.8460 -9.5778 -9.6443 PRESSURE: 4732600 -76.2997 -47.1734 -117.668 -47.1738 210.023 -126.102 -117.668 -126.102 51.8857 GPRESSURE: 4732600 -42.5176 60.3775 -112.008 -61.3825 237.636 -124.013 -63.7198 -53.2321 93.1199 PRESSAVG: 4732600 -16.3453 -10.5644 -39.7475 -10.5644 -8.05367 -30.639 -39.7476 -30.639 -1.99562 GPRESSAVG: 4732600 -16.527 -12.6866 -40.1772 -7.26484 -7.23541 -30.5483 -39.2785 -29.8376 -3.22683 TIMING: 4732600 CPU: 14210.7, 0.00296796/step Wall: 14210.7, 0.00296796/step, 0.220453 hours remaining, 210.078125 MB of memory in use. ENERGY: 4732600 768.3798 2006.0769 1932.1280 116.5356 -206366.1346 18040.3460 0.0000 0.0000 34316.9847 -149185.6835 299.6988 -183502.6682 -149089.7983 299.7005 61.8697 96.0793 555867.2249 -8.7982 -8.9964 PRESSURE: 4732800 211.351 -39.9648 28.8438 -39.9641 227.346 14.8009 28.8437 14.8018 125.562 GPRESSURE: 4732800 184.117 -139.225 44.1661 -10.4825 262.721 90.468 29.5569 -69.527 213.977 PRESSAVG: 4732800 -13.1996 -29.7076 46.5141 -29.7077 23.7215 27.0218 46.5141 27.0218 16.4697 GPRESSAVG: 4732800 -14.3562 -29.1278 48.2577 -30.1985 24.4658 24.7057 44.547 26.0196 16.5156 TIMING: 4732800 CPU: 14211.3, 0.00295288/step Wall: 14211.3, 0.00295288/step, 0.219169 hours remaining, 210.078125 MB of memory in use. ENERGY: 4732800 720.0714 2101.1784 1960.3129 121.2115 -206591.4107 18114.2825 0.0000 0.0000 34281.9967 -149292.3573 299.3932 -183574.3540 -149195.7808 299.5617 188.0861 220.2718 557434.2684 8.9972 8.8750 PRESSURE: 4733000 -137.023 45.1778 -75.279 45.1779 390.379 56.5114 -75.2786 56.5101 -94.0531 GPRESSURE: 4733000 -100.105 28.8157 -134.413 44.2444 371.26 11.1187 -100.758 97.7617 -5.55561 PRESSAVG: 4733000 -5.28815 24.6233 -2.60758 24.6234 -30.1447 32.3609 -2.60755 32.361 48.0679 GPRESSAVG: 4733000 -5.26442 22.8306 -2.59908 25.0003 -31.8178 33.3161 -2.13061 31.1409 49.4241 TIMING: 4733000 CPU: 14211.9, 0.00297819/step Wall: 14211.9, 0.00297819/step, 0.220882 hours remaining, 210.078125 MB of memory in use. ENERGY: 4733000 732.8255 2140.2270 1964.5682 113.5376 -206262.9526 17968.4013 0.0000 0.0000 34041.8962 -149301.4967 297.2963 -183343.3929 -149209.0546 298.4859 53.1009 88.5331 557933.0386 4.2117 4.1140 PRESSURE: 4733200 -68.3316 30.345 -15.096 30.3454 -261.49 147.957 -15.0951 147.956 83.0655 GPRESSURE: 4733200 -65.4193 28.5844 91.7827 -27.2214 -240.107 153.895 37.3209 84.9951 169.106 PRESSAVG: 4733200 -86.9468 -1.93348 -6.25319 -1.9334 -9.05868 42.4001 -6.2532 42.4 58.5271 GPRESSAVG: 4733200 -86.664 0.322769 -6.64607 -2.52595 -8.09974 43.0073 -7.66266 41.609 57.4038 TIMING: 4733200 CPU: 14212.5, 0.00296139/step Wall: 14212.5, 0.00296139/step, 0.219472 hours remaining, 210.078125 MB of memory in use. ENERGY: 4733200 735.7958 2173.9482 1942.5379 108.5436 -206114.5143 17685.2870 0.0000 0.0000 34237.3126 -149231.0892 299.0030 -183468.4018 -149137.3607 298.4719 -82.2520 -45.4735 557676.6995 -12.4928 -12.4533 PRESSURE: 4733400 283.828 -260.965 47.9769 -260.964 54.374 67.015 47.9775 67.0145 65.643 GPRESSURE: 4733400 280.326 -146.853 35.279 -303.18 142.715 97.1975 66.2086 65.5026 73.6554 PRESSAVG: 4733400 -74.7599 34.2383 -28.426 34.2383 -20.8894 8.94442 -28.426 8.94439 109.779 GPRESSAVG: 4733400 -75.434 33.6909 -26.9527 34.8802 -20.5273 11.3605 -27.1993 10.2127 109.293 TIMING: 4733400 CPU: 14213.1, 0.00294116/step Wall: 14213.1, 0.00294116/step, 0.217809 hours remaining, 210.078125 MB of memory in use. ENERGY: 4733400 726.1518 2084.2246 1955.4467 104.3150 -206504.5551 17958.9507 0.0000 0.0000 34470.6494 -149204.8170 301.0408 -183675.4664 -149097.6128 300.1265 134.6150 165.5656 556411.9618 4.7098 4.4440 PRESSURE: 4733600 67.8146 -139.499 -61.9099 -139.5 -28.9918 121.323 -61.9101 121.322 -136.638 GPRESSURE: 4733600 32.8343 -204.486 -72.1833 -79.3655 50.185 166.344 -51.9419 122.88 -79.034 PRESSAVG: 4733600 49.8515 -31.9815 2.98828 -31.9815 -25.1384 3.3242 2.98829 3.32425 12.9976 GPRESSAVG: 4733600 49.6502 -28.9211 0.390562 -34.2522 -25.7971 0.202085 3.88921 5.08318 14.0179 TIMING: 4733600 CPU: 14213.7, 0.00294215/step Wall: 14213.7, 0.00294215/step, 0.217719 hours remaining, 210.281250 MB of memory in use. ENERGY: 4733600 756.3118 2099.4723 1937.2284 119.8117 -206138.4597 17764.4131 0.0000 0.0000 34315.1342 -149146.0881 299.6826 -183461.2223 -149048.8118 300.1194 -32.6050 1.3284 557206.0336 12.5702 12.6237 PRESSURE: 4733800 -84.4351 171.671 -2.07214 171.672 -79.5662 106.74 -2.07275 106.741 -166.121 GPRESSURE: 4733800 -27.2099 136.943 91.0774 165.574 -73.1811 14.3889 -125.743 159.738 -130.304 PRESSAVG: 4733800 -9.90822 -14.9278 23.4844 -14.9279 24.5202 23.37 23.4845 23.37 -27.4503 GPRESSAVG: 4733800 -10.0245 -18.4883 24.2772 -14.4748 26.0706 24.2195 21.0491 20.5745 -28.3449 TIMING: 4733800 CPU: 14214.3, 0.00296978/step Wall: 14214.3, 0.00296978/step, 0.219599 hours remaining, 210.281250 MB of memory in use. ENERGY: 4733800 715.9239 2113.3705 1921.6578 127.0303 -206017.0289 17667.0777 0.0000 0.0000 34312.4684 -149159.5002 299.6593 -183471.9686 -149062.2211 299.7853 -110.0407 -76.8982 557568.2876 -4.2794 -4.0996 PRESSURE: 4734000 -0.0494514 62.5028 12.1376 62.5033 81.3423 105.877 12.1377 105.876 -211.021 GPRESSURE: 4734000 19.9942 59.5463 30.9562 92.5133 158.93 73.512 72.4281 24.8259 -209.88 PRESSAVG: 4734000 31.5389 26.3887 50.7567 26.3886 48.8502 43.8241 50.7567 43.824 -56.6838 GPRESSAVG: 4734000 31.5035 26.58 50.2083 28.4148 49.9647 45.0971 53.4536 43.6855 -57.3349 TIMING: 4734000 CPU: 14214.9, 0.0029702/step Wall: 14214.9, 0.0029702/step, 0.219465 hours remaining, 210.281250 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: 4734000 744.2212 2085.4759 1942.8763 117.8136 -206343.3772 17840.3570 0.0000 0.0000 34377.7007 -149234.9326 300.2290 -183612.6333 -149135.7351 299.6867 -43.2426 -10.3184 557135.1262 7.9018 8.0444 PRESSURE: 4734200 -74.6545 -97.0428 118.515 -97.0422 95.9663 80.6773 118.517 80.677 -13.4138 GPRESSURE: 4734200 3.4023 0.798798 67.9821 -113.771 93.5613 50.2862 176.867 131.24 8.91188 PRESSAVG: 4734200 -1.21039 -1.77515 38.4834 -1.77506 -25.6984 -25.2282 38.4835 -25.2282 12.6632 GPRESSAVG: 4734200 -1.36966 -1.37019 37.8309 -3.39748 -26.4808 -24.0939 38.1438 -24.211 13.5005 TIMING: 4734200 CPU: 14215.5, 0.00297094/step Wall: 14215.5, 0.00297094/step, 0.219354 hours remaining, 210.281250 MB of memory in use. ENERGY: 4734200 713.9581 2051.2840 1927.8257 126.2108 -206149.6014 17761.0312 0.0000 0.0000 34253.1022 -149316.1894 299.1409 -183569.2916 -149220.3089 299.5109 2.6327 35.2918 557536.3619 -4.7485 -4.7833 PRESSURE: 4734400 198.6 148.059 176.023 148.059 115.59 -5.2629 176.023 -5.2635 -330.411 GPRESSURE: 4734400 162.139 125.193 187.01 20.0796 149.223 -78.5995 146.721 112.979 -241.206 PRESSAVG: 4734400 -57.0026 73.5181 46.4769 73.518 -17.2187 -16.2737 46.477 -16.2737 102.632 GPRESSAVG: 4734400 -55.8819 73.8067 46.8487 73.8717 -18.003 -18.3793 46.2659 -15.4798 102.102 TIMING: 4734400 CPU: 14216.1, 0.00298967/step Wall: 14216.1, 0.00298967/step, 0.220571 hours remaining, 210.281250 MB of memory in use. ENERGY: 4734400 762.8891 2064.0827 1929.7326 118.2117 -206373.5835 17883.7439 0.0000 0.0000 34270.1853 -149344.7383 299.2901 -183614.9235 -149242.8193 299.2870 -5.4070 23.3854 558283.3675 9.4704 9.4056 PRESSURE: 4734600 32.2981 13.9689 -107.308 13.969 -367.12 -125.186 -107.307 -125.188 -383.404 GPRESSURE: 4734600 33.577 69.8668 -78.6297 -84.8886 -352.761 -17.2216 -132.316 -161.836 -314.493 PRESSAVG: 4734600 20.2075 6.2212 3.46865 6.22126 14.7713 -36.077 3.46864 -36.077 -47.4999 GPRESSAVG: 4734600 18.8924 7.04817 3.09389 4.54542 14.6938 -35.2812 4.07444 -35.8836 -46.0798 TIMING: 4734600 CPU: 14216.7, 0.00295888/step Wall: 14216.7, 0.00295888/step, 0.218135 hours remaining, 210.281250 MB of memory in use. ENERGY: 4734600 749.9227 2068.6022 1943.3196 124.7758 -205984.0831 17498.3302 0.0000 0.0000 34398.6085 -149200.5240 300.4116 -183599.1325 -149104.3948 299.3426 -239.4087 -211.2255 558530.3956 -4.1737 -4.1645 PRESSURE: 4734800 51.6781 -172.6 25.0776 -172.601 -44.5336 -77.4024 25.0778 -77.4012 -267.114 GPRESSURE: 4734800 119.834 -135.165 18.0279 -182.276 -46.4504 -71.488 -65.9552 -92.2465 -237.881 PRESSAVG: 4734800 13.3289 -16.0084 17.4024 -16.0083 -40.8371 -4.38211 17.4024 -4.38198 -16.4866 GPRESSAVG: 4734800 14.5512 -18.3773 16.4065 -13.2665 -41.261 -4.66708 16.7285 -4.5807 -16.8827 TIMING: 4734800 CPU: 14217.3, 0.00295192/step Wall: 14217.3, 0.00295192/step, 0.217458 hours remaining, 210.281250 MB of memory in use. ENERGY: 4734800 740.8404 2092.4428 1936.0751 114.6112 -206213.9313 17843.6820 0.0000 0.0000 34288.7338 -149197.5461 299.4520 -183486.2798 -149093.1171 299.2630 -86.6566 -54.8327 558209.0801 -14.6649 -14.5308 PRESSURE: 4735000 -199.733 81.7772 -45.9688 81.7774 -4.24601 -117.568 -45.9685 -117.568 -70.1223 GPRESSURE: 4735000 -201.319 36.1735 -141.702 33.8303 103.503 -130.935 -69.055 -112.956 -92.9619 PRESSAVG: 4735000 -25.715 -60.7576 -27.7771 -60.7576 63.6737 7.25614 -27.7772 7.25614 -0.43113 GPRESSAVG: 4735000 -26.8483 -62.892 -27.4073 -59.1978 63.5785 7.22575 -29.1084 6.79964 0.73017 TIMING: 4735000 CPU: 14217.8, 0.00296145/step Wall: 14217.8, 0.00296145/step, 0.217996 hours remaining, 210.281250 MB of memory in use. ENERGY: 4735000 753.3536 2123.6046 1920.2751 124.6097 -205819.4501 17616.5498 0.0000 0.0000 33892.0256 -149389.0317 295.9875 -183281.0573 -149292.1566 298.9993 -91.3670 -63.5925 558350.3780 12.5092 12.4868 PRESSURE: 4735200 -102.2 60.3371 -156.584 60.3373 47.5116 -44.5806 -156.585 -44.5803 -98.7222 GPRESSURE: 4735200 -73.9024 39.6777 -157.252 53.7384 43.8641 -5.05799 -179.02 -89.9224 -36.138 PRESSAVG: 4735200 39.2467 -4.24449 -3.61533 -4.2445 -14.6223 -88.4282 -3.61541 -88.4283 -23.8171 GPRESSAVG: 4735200 39.1065 -3.30808 -1.74869 -5.17403 -14.0064 -87.8028 -2.75061 -87.8663 -24.9474 TIMING: 4735200 CPU: 14218.4, 0.00297527/step Wall: 14218.4, 0.00297527/step, 0.218848 hours remaining, 210.281250 MB of memory in use. ENERGY: 4735200 754.5303 2101.0921 1926.1822 122.7239 -206019.8144 17799.8457 0.0000 0.0000 33982.8150 -149332.6251 296.7804 -183315.4401 -149232.5370 299.1852 -51.1368 -22.0588 558626.9601 0.2691 0.0509 PRESSURE: 4735400 -411.705 -170.177 -98.205 -170.176 -230.287 -201.843 -98.2043 -201.844 -559.332 GPRESSURE: 4735400 -405.647 -164.535 -140.412 -175.38 -129.134 -204.646 -72.5954 -221.096 -570.007 PRESSAVG: 4735400 -12.7679 -79.7592 -52.4073 -79.7592 75.2793 28.6325 -52.4073 28.6326 -38.3782 GPRESSAVG: 4735400 -12.1343 -78.8934 -52.6794 -81.3885 74.4763 28.5982 -52.2598 26.0361 -38.7151 TIMING: 4735400 CPU: 14219, 0.00297517/step Wall: 14219, 0.00297517/step, 0.218675 hours remaining, 210.281250 MB of memory in use. ENERGY: 4735400 762.9326 2090.9058 1938.4822 98.1111 -205666.9833 17370.4595 0.0000 0.0000 34075.8800 -149330.2121 297.5931 -183406.0921 -149227.3987 298.4746 -400.4413 -368.2625 559829.4518 8.0444 7.8757 PRESSURE: 4735600 -213.889 -31.3215 84.1523 -31.3208 -220.2 31.4217 84.1517 31.4208 -1.98295 GPRESSURE: 4735600 -171.572 -90.3509 116.012 -76.9453 -218.693 50.3636 45.5128 -32.3981 46.9467 PRESSAVG: 4735600 38.489 10.4135 23.3218 10.4135 -39.9563 18.7982 23.3217 18.7981 16.8678 GPRESSAVG: 4735600 38.1275 13.0832 22.9706 10.4217 -39.6719 17.541 23.7496 20.2726 16.9586 TIMING: 4735600 CPU: 14219.6, 0.00299785/step Wall: 14219.6, 0.00299785/step, 0.220176 hours remaining, 210.281250 MB of memory in use. ENERGY: 4735600 727.2421 2094.9843 1945.4274 116.5081 -206233.8420 17856.4867 0.0000 0.0000 34115.8814 -149377.3120 297.9425 -183493.1934 -149280.6599 298.4569 -145.3573 -114.4394 559903.4300 5.1335 5.1381 PRESSURE: 4735800 242.971 -214.995 -54.1262 -214.996 119.775 -124.549 -54.1262 -124.55 129.067 GPRESSURE: 4735800 249.729 -222.853 -27.4201 -299.63 200.255 -122.764 -106.157 -53.9638 146.122 PRESSAVG: 4735800 63.6533 -9.39223 34.336 -9.3923 -8.73409 3.30627 34.336 3.30635 -46.1143 GPRESSAVG: 4735800 64.6035 -10.224 35.2202 -11.9644 -9.27191 5.74176 30.0971 2.18478 -46.1513 TIMING: 4735800 CPU: 14220.2, 0.00300579/step Wall: 14220.2, 0.00300579/step, 0.220592 hours remaining, 210.281250 MB of memory in use. ENERGY: 4735800 691.0009 2045.0124 1935.6445 110.9440 -206540.4322 18093.6283 0.0000 0.0000 34196.9475 -149467.2546 298.6504 -183664.2021 -149365.5452 298.5526 163.9379 198.7020 557321.6575 2.9350 3.0601 PRESSURE: 4736000 -220.528 -168.682 -41.5708 -168.682 -469.719 45.7694 -41.5715 45.7689 -487.716 GPRESSURE: 4736000 -219.229 -109.877 -25.4979 -150.782 -414.555 94.835 -72.832 18.2212 -447.181 PRESSAVG: 4736000 -15.292 -2.75249 20.4367 -2.75244 -14.2394 11.5072 20.4367 11.5072 -15.0852 GPRESSAVG: 4736000 -17.7004 -3.87904 18.7881 -1.29205 -12.2646 10.0041 26.229 13.4499 -15.0996 TIMING: 4736000 CPU: 14220.8, 0.0029879/step Wall: 14220.8, 0.0029879/step, 0.219113 hours remaining, 210.281250 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: 4736000 735.8696 2056.7030 1947.3254 118.3305 -205631.2786 17234.8245 0.0000 0.0000 34131.7682 -149406.4573 298.0812 -183538.2255 -149310.2855 299.0203 -392.6544 -360.3217 558181.0700 -14.8722 -15.0215 PRESSURE: 4736200 29.1895 30.9248 38.0201 30.9249 -10.0568 10.6925 38.0195 10.6921 -275.806 GPRESSURE: 4736200 92.945 41.2286 75.4924 22.6203 -21.7798 -93.0381 12.6493 -26.7857 -230.564 PRESSAVG: 4736200 13.7444 5.49152 42.2901 5.49149 1.76065 -2.20303 42.2902 -2.20302 -19.2961 GPRESSAVG: 4736200 15.3389 5.64024 44.1034 7.80451 1.18273 -2.18268 39.0409 -3.10872 -20.5955 TIMING: 4736200 CPU: 14221.4, 0.00298396/step Wall: 14221.4, 0.00298396/step, 0.218658 hours remaining, 210.281250 MB of memory in use. ENERGY: 4736200 707.0682 2058.9472 1955.4152 122.0201 -205979.5772 17636.2444 0.0000 0.0000 34241.6610 -149258.2212 299.0409 -183499.8822 -149163.1577 299.0833 -85.5579 -53.1328 556911.0413 -1.2637 -1.3580 LDB: ============= START OF LOAD BALANCING ============== 14224.9 LDB: ============== END OF LOAD BALANCING =============== 14224.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14225 LDB: ============= START OF LOAD BALANCING ============== 14225.2 LDB: Largest compute 4774 load 0.025575 is 21.6% of average load 0.118250 LDB: Average compute 0.001731 is 1.5% of average load 0.118250 LDB: TIME 14225.3 LOAD: AVG 0.11825 MAX 0.215374 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.234 MB LDB: TIME 14225.3 LOAD: AVG 0.11825 MAX 0.215374 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.438 MB LDB: TIME 14225.3 LOAD: AVG 0.11825 MAX 0.215374 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.438 MB LDB: ============== END OF LOAD BALANCING =============== 14225.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14225.3 PRESSURE: 4736400 -302.401 8.07037 -119.416 8.07031 36.438 -51.5408 -119.416 -51.5408 -104.146 GPRESSURE: 4736400 -254.963 -48.6919 -125.803 123.679 39.6549 -116.662 -137.857 -39.9806 -45.1858 PRESSAVG: 4736400 -49.1805 51.4309 -8.25648 51.4309 29.6507 8.22626 -8.25656 8.22626 25.5674 GPRESSAVG: 4736400 -49.677 52.0876 -8.55088 48.7731 28.8156 7.07015 -5.55386 6.9022 27.2446 TIMING: 4736400 CPU: 14222, 0.00304739/step Wall: 14222, 0.00304739/step, 0.223137 hours remaining, 208.539062 MB of memory in use. ENERGY: 4736400 705.3284 2079.8018 1932.1227 112.6627 -205928.9945 17694.2741 0.0000 0.0000 34308.5644 -149096.2404 299.6252 -183404.8048 -149004.0438 299.3058 -123.3696 -86.8313 558446.9063 2.0125 2.1277 PRESSURE: 4736600 252.535 27.796 186.899 27.7965 84.6849 -156.66 186.898 -156.661 167.616 GPRESSURE: 4736600 249.622 -97.26 250.701 81.6714 78.9903 -96.1262 210.394 -119.148 252.254 PRESSAVG: 4736600 27.6245 11.5479 -15.943 11.5479 -24.2679 6.32559 -15.943 6.32547 31.0561 GPRESSAVG: 4736600 28.1205 11.3565 -16.9952 12.099 -24.0648 8.72338 -18.6772 8.10105 30.4287 TIMING: 4736600 CPU: 14222.6, 0.00298356/step Wall: 14222.6, 0.00298356/step, 0.218297 hours remaining, 208.539062 MB of memory in use. ENERGY: 4736600 695.3142 2105.7490 1950.5611 113.5757 -206415.8252 18215.0136 0.0000 0.0000 34142.1729 -149193.4388 298.1721 -183335.6117 -149099.0817 299.5728 168.2789 193.6222 558088.2592 11.4709 11.4948 PRESSURE: 4736800 -109.066 -51.5395 67.1203 -51.5394 61.4145 -83.5455 67.1225 -83.5465 171.469 GPRESSURE: 4736800 -111.306 -2.72957 55.1378 -16.252 119.688 -108.222 63.4236 -127.187 212.016 PRESSAVG: 4736800 -22.5652 6.67264 -13.4554 6.67271 33.6138 -19.3091 -13.4554 -19.309 -26.1947 GPRESSAVG: 4736800 -22.9918 7.27452 -12.9369 6.57284 34.1219 -21.9986 -13.1833 -20.0894 -25.644 TIMING: 4736800 CPU: 14223.2, 0.00297513/step Wall: 14223.2, 0.00297513/step, 0.217515 hours remaining, 208.539062 MB of memory in use. ENERGY: 4736800 730.1296 2036.8604 1933.3185 114.7878 -205995.4028 17848.7664 0.0000 0.0000 34094.9392 -149236.6009 297.7596 -183331.5401 -149140.5727 298.8569 41.2726 73.4658 559092.6184 -5.0487 -4.8380 PRESSURE: 4737000 -4.79848 -78.5753 60.489 -78.5749 -232.435 70.2333 60.4883 70.2337 -63.7262 GPRESSURE: 4737000 31.8473 -63.5168 47.0983 -48.7896 -230.019 -6.7018 25.7522 71.2438 -4.74269 PRESSAVG: 4737000 -66.1604 34.495 31.252 34.4951 70.3316 25.3252 31.252 25.3252 46.0533 GPRESSAVG: 4737000 -65.2939 35.7444 32.9649 35.3625 69.0821 24.9553 30.5919 27.0388 46.2251 TIMING: 4737000 CPU: 14223.8, 0.00299451/step Wall: 14223.8, 0.00299451/step, 0.218766 hours remaining, 208.539062 MB of memory in use. ENERGY: 4737000 745.0067 2124.1677 1938.3605 120.3355 -205981.0055 17574.4458 0.0000 0.0000 34146.9414 -149331.7478 298.2137 -183478.6892 -149231.6189 298.8706 -100.3198 -67.6381 557812.4048 16.7415 16.6711 PRESSURE: 4737200 124.612 -111.487 -31.3817 -111.488 27.5961 -95.7813 -31.3817 -95.7822 95.9051 GPRESSURE: 4737200 121.553 -139.816 -23.8612 -78.5567 118.666 -61.4169 3.31644 -71.153 111.471 PRESSAVG: 4737200 63.3343 5.08182 -11.117 5.08183 22.9527 5.24808 -11.1169 5.24813 -8.63545 GPRESSAVG: 4737200 63.4656 4.38484 -12.0162 4.39388 23.8633 7.24831 -10.2326 3.56269 -9.91568 TIMING: 4737200 CPU: 14224.4, 0.00296298/step Wall: 14224.4, 0.00296298/step, 0.216298 hours remaining, 208.539062 MB of memory in use. ENERGY: 4737200 738.1962 2126.6295 1923.1135 107.1969 -206206.7139 17938.5707 0.0000 0.0000 34100.2590 -149272.7480 297.8060 -183373.0070 -149183.9158 299.0117 82.7045 117.2300 556244.7983 25.8838 25.8044 PRESSURE: 4737400 -211.7 24.3456 -93.8515 24.3461 -137.11 -88.6384 -93.852 -88.6387 -305.403 GPRESSURE: 4737400 -218.34 24.5666 -87.1461 47.9378 -48.5073 -110.603 -100.443 -48.4413 -287.659 PRESSAVG: 4737400 37.6355 -12.6635 -7.38215 -12.6635 43.9466 -53.9645 -7.38216 -53.9645 -69.8735 GPRESSAVG: 4737400 36.8601 -14.4071 -7.54557 -13.4042 44.8387 -57.0924 -5.66464 -51.5342 -70.3153 TIMING: 4737400 CPU: 14225, 0.003007/step Wall: 14225, 0.003007/step, 0.219344 hours remaining, 208.539062 MB of memory in use. ENERGY: 4737400 770.5570 2044.6285 1927.3577 126.7771 -206124.0807 17655.3993 0.0000 0.0000 34300.5347 -149298.8263 299.5551 -183599.3610 -149200.2226 299.4138 -218.0710 -184.8354 557323.9646 3.9029 3.7945 PRESSURE: 4737600 -214.105 -8.15751 -139.993 -8.15889 -178.084 40.5336 -139.994 40.5349 -56.6489 GPRESSURE: 4737600 -124.658 -114.627 -121.428 -37.5389 -193.133 45.6921 -205.602 -12.5036 -37.0948 PRESSAVG: 4737600 26.4575 -24.3265 -15.6848 -24.3266 2.32109 36.0501 -15.6849 36.0501 -26.6228 GPRESSAVG: 4737600 26.4329 -24.4992 -15.5496 -24.3835 0.886885 39.938 -16.0241 32.917 -25.2293 TIMING: 4737600 CPU: 14225.6, 0.0030157/step Wall: 14225.6, 0.0030157/step, 0.219811 hours remaining, 208.539062 MB of memory in use. ENERGY: 4737600 778.1658 2091.7145 1948.8640 124.5810 -206031.2173 17599.3366 0.0000 0.0000 34131.8377 -149356.7176 298.0818 -183488.5553 -149261.7284 298.8564 -149.6126 -118.2952 556405.7832 0.7186 0.6968 PRESSURE: 4737800 -139.399 2.37575 -115.3 2.37407 168.862 -25.3841 -115.301 -25.3845 -234.383 GPRESSURE: 4737800 -78.4435 -3.32383 -202.791 -5.70487 151.56 -71.5135 -56.6533 -14.2356 -170.818 PRESSAVG: 4737800 7.532 -7.67756 -13.403 -7.67772 31.5021 46.9318 -13.4029 46.932 -28.7572 GPRESSAVG: 4737800 8.29286 -7.01364 -13.8053 -7.13438 32.3112 44.4641 -14.3633 48.7914 -29.9528 TIMING: 4737800 CPU: 14226.2, 0.00300577/step Wall: 14226.2, 0.00300577/step, 0.21892 hours remaining, 208.539062 MB of memory in use. ENERGY: 4737800 739.5021 2104.5486 1917.7608 111.6513 -205606.7831 17440.0492 0.0000 0.0000 34346.7776 -148946.4936 299.9590 -183293.2712 -148847.0274 299.7438 -68.3067 -32.5671 557194.2682 3.4256 3.5504 PRESSURE: 4738000 109.241 -174.401 118.752 -174.402 -66.5972 144.675 118.752 144.674 -65.9342 GPRESSURE: 4738000 115.148 -135.208 98.9328 -157.984 -13.5213 147.611 141.102 69.2113 -14.1459 PRESSAVG: 4738000 -58.1327 -28.8347 -63.9275 -28.8347 47.9154 67.0479 -63.9276 67.0479 39.2241 GPRESSAVG: 4738000 -59.6697 -25.7506 -64.1315 -30.8102 48.5134 66.2238 -61.8816 65.6721 40.0071 TIMING: 4738000 CPU: 14226.8, 0.00298046/step Wall: 14226.8, 0.00298046/step, 0.216911 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: 4738000 733.2950 2106.0543 1971.8584 118.9353 -205988.9329 17751.2848 0.0000 0.0000 34306.4695 -149001.0357 299.6069 -183307.5051 -148911.9704 299.7333 -7.7636 29.1604 557131.6267 9.6689 9.6169 PRESSURE: 4738200 227.234 -67.815 185.36 -67.8154 -10.7095 46.0736 185.36 46.0745 262.289 GPRESSURE: 4738200 321.051 -56.9021 217.412 -75.9152 -2.03115 83.4656 147.516 91.7806 260.738 PRESSAVG: 4738200 -12.1788 -7.16176 27.9123 -7.16176 2.76166 -0.184222 27.9123 -0.184243 -14.9412 GPRESSAVG: 4738200 -10.4124 -9.69271 27.2911 -5.70821 0.962926 2.78881 27.854 -0.847361 -15.0485 TIMING: 4738200 CPU: 14227.4, 0.00299132/step Wall: 14227.4, 0.00299132/step, 0.217535 hours remaining, 208.722656 MB of memory in use. ENERGY: 4738200 749.0098 2146.6892 1947.8618 120.6904 -206621.7231 18195.1311 0.0000 0.0000 34463.9074 -148998.4335 300.9819 -183462.3408 -148901.4279 299.9266 159.6046 193.2528 556944.7949 -8.1194 -8.1660 PRESSURE: 4738400 -87.1463 107.375 -147.202 107.376 -263.935 81.6026 -147.201 81.6018 78.2483 GPRESSURE: 4738400 -79.989 124.39 -90.882 20.6369 -213.677 44.6401 -238.184 135.1 101.874 PRESSAVG: 4738400 -37.3844 -8.52292 9.18823 -8.52293 -34.307 -36.1722 9.18821 -36.1721 33.06 GPRESSAVG: 4738400 -38.3717 -9.15448 10.406 -9.88981 -33.0976 -38.552 8.72767 -34.1843 32.715 TIMING: 4738400 CPU: 14228, 0.00297434/step Wall: 14228, 0.00297434/step, 0.216135 hours remaining, 208.925781 MB of memory in use. ENERGY: 4738400 731.1821 2075.3929 1966.1140 129.5787 -205828.4743 17603.2759 0.0000 0.0000 34254.3877 -149068.5430 299.1521 -183322.9307 -148969.6801 300.0702 -90.9442 -63.9309 558350.8130 -12.8771 -12.9181 PRESSURE: 4738600 -40.5031 -25.1306 63.4563 -25.1308 80.6643 10.1351 63.4557 10.1337 -151.79 GPRESSURE: 4738600 13.3248 0.944425 30.7844 21.0415 110.179 -6.34596 82.9816 -1.8746 -135.122 PRESSAVG: 4738600 -31.528 16.1707 13.9591 16.1707 14.6005 -65.6388 13.9592 -65.6388 65.8323 GPRESSAVG: 4738600 -31.5861 17.1511 13.5898 17.2159 14.4611 -65.3862 12.5822 -66.5808 66.3953 TIMING: 4738600 CPU: 14228.6, 0.00295808/step Wall: 14228.6, 0.00295808/step, 0.21479 hours remaining, 208.925781 MB of memory in use. ENERGY: 4738600 719.3836 2096.3635 1938.7986 130.8444 -205881.7572 17646.8396 0.0000 0.0000 34350.5183 -148999.0091 299.9916 -183349.5274 -148903.9511 300.1799 -37.2095 -3.8727 558426.1596 16.3016 16.4234 PRESSURE: 4738800 -250.238 72.6649 -116.787 72.6638 112.213 -61.1562 -116.787 -61.1565 -61.59 GPRESSURE: 4738800 -241.993 83.6387 -110.14 86.4929 110.524 -111.217 -139.756 -33.3666 41.0275 PRESSAVG: 4738800 -29.8065 -31.3515 -19.3267 -31.3514 50.2201 -30.2799 -19.3266 -30.2799 -1.28345 GPRESSAVG: 4738800 -29.833 -28.6186 -19.5262 -34.0947 49.9109 -30.1791 -18.0162 -27.1818 -1.34609 TIMING: 4738800 CPU: 14229.2, 0.00296226/step Wall: 14229.2, 0.00296226/step, 0.214928 hours remaining, 208.925781 MB of memory in use. ENERGY: 4738800 742.1705 2061.4506 1946.5578 104.6867 -206112.2783 17757.9642 0.0000 0.0000 34371.9399 -149127.5085 300.1787 -183499.4485 -149032.7424 300.3543 -66.5382 -30.1471 558590.9683 6.3767 6.2439 PRESSURE: 4739000 -133.763 25.8008 50.2749 25.8024 -187.39 127.024 50.2765 127.025 29.6579 GPRESSURE: 4739000 -69.6834 6.10015 66.5516 -0.00486434 -172.694 94.2561 80.3553 174.103 46.3427 PRESSAVG: 4739000 -59.7957 -6.50685 24.3288 -6.50679 13.6874 22.9278 24.3288 22.9277 28.8225 GPRESSAVG: 4739000 -59.4566 -7.79161 26.887 -1.34829 13.1277 23.9717 21.4767 21.6847 27.9884 TIMING: 4739000 CPU: 14229.8, 0.00297934/step Wall: 14229.8, 0.00297934/step, 0.216002 hours remaining, 208.925781 MB of memory in use. ENERGY: 4739000 741.2470 2077.8463 1942.3448 125.0499 -206029.2446 17741.0725 0.0000 0.0000 34276.8221 -149124.8621 299.3480 -183401.6842 -149031.7800 299.8856 -97.1651 -65.3447 559155.1946 -5.7619 -6.1135 PRESSURE: 4739200 -7.27747 0.392152 144.198 0.394905 -61.1037 23.8819 144.198 23.8808 143.226 GPRESSURE: 4739200 27.3858 6.81345 209.959 -29.8128 17.7765 -11.3576 116.823 45.3218 126.982 PRESSAVG: 4739200 -71.5446 -5.48766 31.6191 -5.48764 4.74219 -10.8177 31.6192 -10.8178 13.9958 GPRESSAVG: 4739200 -71.9737 -5.66161 30.4226 -7.52836 6.03812 -9.84484 31.7647 -11.9489 12.9653 TIMING: 4739200 CPU: 14230.4, 0.00300492/step Wall: 14230.4, 0.00300492/step, 0.21769 hours remaining, 208.925781 MB of memory in use. ENERGY: 4739200 725.9472 2084.7520 1937.1945 115.6903 -206522.2587 18081.3893 0.0000 0.0000 34490.9936 -149086.2919 301.2184 -183577.2855 -148987.4475 300.0651 24.9482 57.3816 559056.4744 -17.6022 -17.6568 PRESSURE: 4739400 197.873 194.152 -113.205 194.152 106.123 122.539 -113.205 122.538 306.508 GPRESSURE: 4739400 194.94 224.259 -48.0508 182.239 180.021 120.607 -86.8295 143.237 330.188 PRESSAVG: 4739400 -14.2663 -18.7844 9.33432 -18.7843 14.6539 25.8146 9.33436 25.8145 37.0906 GPRESSAVG: 4739400 -14.8652 -19.0612 9.32521 -18.7241 14.509 23.4692 11.1345 25.8392 38.1105 TIMING: 4739400 CPU: 14231, 0.00300065/step Wall: 14231, 0.00300065/step, 0.217214 hours remaining, 208.925781 MB of memory in use. ENERGY: 4739400 754.3567 2084.2365 1936.5158 119.2166 -206612.0169 18155.7268 0.0000 0.0000 34353.4366 -149208.5278 300.0171 -183561.9644 -149120.7702 300.0628 203.5015 235.0498 556682.6517 12.4927 12.5847 PRESSURE: 4739600 -48.9379 -136.496 23.2554 -136.494 -54.2908 -40.3469 23.2559 -40.3465 -90.6798 GPRESSURE: 4739600 -42.6165 -92.2712 16.4174 -162.673 -14.6944 -43.4827 -37.2117 -86.4375 -39.289 PRESSAVG: 4739600 -3.08675 68.4266 39.9981 68.4266 -55.7791 10.2743 39.9982 10.2744 78.1913 GPRESSAVG: 4739600 -3.65841 68.0626 39.954 67.0331 -56.0224 10.3514 40.663 9.46362 78.5958 TIMING: 4739600 CPU: 14231.6, 0.00301855/step Wall: 14231.6, 0.00301855/step, 0.218342 hours remaining, 208.925781 MB of memory in use. ENERGY: 4739600 737.0630 2113.8213 1944.4538 118.6147 -206298.3762 17795.5824 0.0000 0.0000 34594.0160 -148994.8250 302.1181 -183588.8410 -148893.3835 300.1064 -64.6361 -32.2000 558583.3838 6.4418 6.3050 PRESSURE: 4739800 -118.812 -88.1363 -259.301 -88.1364 111.118 -170.84 -259.3 -170.84 56.9648 GPRESSURE: 4739800 -66.544 -33.5082 -322.583 -84.3681 141.572 -269.047 -181.164 -132.392 75.0904 PRESSAVG: 4739800 -30.2415 -26.5411 23.7207 -26.5411 43.2543 -36.1037 23.7208 -36.1039 2.85572 GPRESSAVG: 4739800 -29.9125 -24.2436 22.3424 -25.5729 42.762 -36.1225 23.8239 -34.8431 2.46171 TIMING: 4739800 CPU: 14232.2, 0.00301585/step Wall: 14232.2, 0.00301584/step, 0.217979 hours remaining, 208.925781 MB of memory in use. ENERGY: 4739800 779.1069 2071.5391 1957.1763 104.0095 -206281.6299 17946.9872 0.0000 0.0000 34464.6040 -148958.2069 300.9880 -183422.8109 -148858.4583 300.4973 16.4236 50.0396 559275.8624 5.2895 5.1037 PRESSURE: 4740000 19.4312 -29.8966 -46.9371 -29.8973 75.6204 174.502 -46.9376 174.503 -249.607 GPRESSURE: 4740000 36.7065 -31.4678 95.6313 53.7512 91.1006 219.711 -110.691 196.016 -196.129 PRESSAVG: 4740000 37.2935 -71.6348 -37.937 -71.6348 49.453 28.4887 -37.9371 28.4888 -49.166 GPRESSAVG: 4740000 37.0559 -71.6017 -36.4687 -71.1239 49.7206 28.7085 -39.0648 29.7064 -49.3144 TIMING: 4740000 CPU: 14232.8, 0.0029834/step Wall: 14232.8, 0.0029834/step, 0.215468 hours remaining, 208.925781 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: 4740000 745.2957 2056.7510 1924.0462 113.2104 -206045.1932 17797.2586 0.0000 0.0000 34421.4368 -148987.1947 300.6110 -183408.6315 -148887.5092 300.1675 -51.5186 -22.7741 559748.8173 12.5268 12.4874 PRESSURE: 4740200 -162.172 -19.0845 61.6827 -19.0864 -68.6151 -115.294 61.6837 -115.294 -93.963 GPRESSURE: 4740200 -155.824 -21.4844 5.22606 14.6887 -20.903 -111.383 -4.45936 -102.841 -46.2259 PRESSAVG: 4740200 -12.7559 -45.8443 49.5579 -45.8443 -8.5317 43.1489 49.5578 43.1488 21.9884 GPRESSAVG: 4740200 -12.2076 -47.6919 47.9051 -46.1523 -8.47517 44.1975 50.7361 39.8077 21.2896 TIMING: 4740200 CPU: 14233.4, 0.00298272/step Wall: 14233.4, 0.00298272/step, 0.215253 hours remaining, 208.925781 MB of memory in use. ENERGY: 4740200 785.8232 2138.6978 1942.9180 117.3247 -206115.6392 17670.6554 0.0000 0.0000 34176.4604 -149283.7597 298.4715 -183460.2200 -149185.6299 300.1509 -108.2500 -74.3176 557758.4958 0.2336 0.2023 LDB: ============= START OF LOAD BALANCING ============== 14236.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14236.9 LDB: =============== DONE WITH MIGRATION ================ 14236.9 LDB: ============= START OF LOAD BALANCING ============== 14237.2 LDB: Largest compute 4773 load 0.027783 is 23.5% of average load 0.118209 LDB: Average compute 0.001730 is 1.5% of average load 0.118209 LDB: TIME 14237.2 LOAD: AVG 0.118209 MAX 0.213564 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.305 MB LDB: TIME 14237.2 LOAD: AVG 0.118209 MAX 0.213564 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.508 MB LDB: TIME 14237.2 LOAD: AVG 0.118209 MAX 0.213564 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.508 MB LDB: ============== END OF LOAD BALANCING =============== 14237.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14237.2 PRESSURE: 4740400 -93.32 -148.316 107.896 -148.316 7.52093 -81.1924 107.897 -81.1923 -46.0026 GPRESSURE: 4740400 -56.3457 -148.328 67.0291 -182.335 13.909 -124.222 160.639 -53.1889 -12.7986 PRESSAVG: 4740400 -34.2022 27.3461 19.1701 27.346 19.3984 18.7199 19.1701 18.7201 -0.686584 GPRESSAVG: 4740400 -33.4745 27.6927 21.0895 28.9913 18.0302 17.0664 16.1093 20.4696 -0.214946 TIMING: 4740400 CPU: 14234, 0.00303313/step Wall: 14234, 0.00303313/step, 0.218722 hours remaining, 209.390625 MB of memory in use. ENERGY: 4740400 735.5304 2026.3722 1948.6521 112.0290 -205954.4413 17678.9227 0.0000 0.0000 34156.0231 -149296.9118 298.2930 -183452.9350 -149205.7556 299.2316 -43.9339 -18.4118 556697.0836 -5.1635 -5.2197 PRESSURE: 4740600 191.546 -43.6973 -33.753 -43.6966 4.13861 73.6557 -33.7537 73.656 50.8865 GPRESSURE: 4740600 194.273 -63.1876 31.5176 -72.2597 56.8631 112.249 1.98927 14.7098 80.5748 PRESSAVG: 4740600 65.1065 19.351 10.6412 19.3511 -68.7591 -14.8856 10.641 -14.8855 20.3156 GPRESSAVG: 4740600 63.4822 21.106 10.2481 16.939 -68.5119 -12.4242 11.8475 -16.3896 21.8889 TIMING: 4740600 CPU: 14234.6, 0.0029916/step Wall: 14234.6, 0.0029916/step, 0.215561 hours remaining, 209.390625 MB of memory in use. ENERGY: 4740600 722.7168 2104.0243 1960.3020 124.3643 -206299.4413 17888.0610 0.0000 0.0000 34209.9614 -149290.0115 298.7641 -183499.9729 -149191.8900 299.5759 82.1904 110.5704 556662.4530 5.5544 5.6198 PRESSURE: 4740800 -10.5476 73.4593 68.5272 73.4585 -186.749 -11.8596 68.5277 -11.8605 -150.894 GPRESSURE: 4740800 46.1888 83.8537 -4.84358 32.0752 -170.412 61.1486 68.2691 -63.4844 -126.876 PRESSAVG: 4740800 49.4284 11.7948 -20.9368 11.7948 -124.856 67.9153 -20.9368 67.9153 20.8351 GPRESSAVG: 4740800 50.6192 13.5988 -22.0127 9.45031 -124.147 67.4072 -19.1954 68.7644 19.0956 TIMING: 4740800 CPU: 14235.2, 0.00296865/step Wall: 14235.2, 0.00296865/step, 0.213743 hours remaining, 209.390625 MB of memory in use. ENERGY: 4740800 732.6411 2082.6929 1945.2610 110.2598 -205776.6926 17474.3020 0.0000 0.0000 34246.8533 -149184.6826 299.0863 -183431.5358 -149089.0701 299.6750 -116.0634 -83.6997 557871.5404 -18.1974 -18.1440 PRESSURE: 4741000 41.7731 104.373 145.959 104.371 -239.319 -141.072 145.959 -141.072 118.773 GPRESSURE: 4741000 97.1333 132.449 185.841 71.0415 -208.459 -118.184 126.527 -127.569 138.992 PRESSAVG: 4741000 76.202 -13.6667 0.0792595 -13.6668 -71.0593 -22.245 0.0791992 -22.245 -5.66847 GPRESSAVG: 4741000 76.0358 -18.0814 0.975578 -9.7328 -70.9644 -22.6234 -0.154388 -23.0803 -5.29098 TIMING: 4741000 CPU: 14235.8, 0.00297282/step Wall: 14235.8, 0.00297282/step, 0.213878 hours remaining, 209.390625 MB of memory in use. ENERGY: 4741000 749.8284 2087.6548 1919.2941 102.2937 -206168.2111 17650.0241 0.0000 0.0000 34448.0364 -149211.0796 300.8433 -183659.1160 -149118.7139 299.5817 -26.2576 9.2219 556450.1271 -0.1753 -0.0732 PRESSURE: 4741200 -301.016 -172.457 -7.99814 -172.455 -290.402 29.5053 -7.99718 29.5057 47.6643 GPRESSURE: 4741200 -252.577 -201.288 41.1487 -177.557 -226.842 4.65029 -41.2649 -0.846563 27.2587 PRESSAVG: 4741200 103.41 -49.9922 17.3076 -49.9923 -14.6999 -34.3279 17.3076 -34.3279 -38.33 GPRESSAVG: 4741200 105.032 -49.2842 16.9785 -51.4056 -15.7138 -36.3317 16.5434 -33.9435 -38.9058 TIMING: 4741200 CPU: 14236.4, 0.00295199/step Wall: 14236.4, 0.00295199/step, 0.212215 hours remaining, 209.390625 MB of memory in use. ENERGY: 4741200 749.7750 2039.0579 1920.1374 108.5992 -206058.0587 17560.3937 0.0000 0.0000 34444.8413 -149235.2540 300.8154 -183680.0954 -149136.3894 300.2995 -181.2513 -150.7201 557224.7119 16.7933 16.8040 PRESSURE: 4741400 -69.1305 20.1091 -4.38986 20.1094 -204.661 33.5372 -4.38935 33.5374 -17.9507 GPRESSURE: 4741400 -30.267 -33.2526 -111.662 68.6049 -158.037 31.4504 -63.1893 37.7852 2.29823 PRESSAVG: 4741400 15.1618 -51.6013 35.5638 -51.6012 39.385 7.33966 35.5639 7.33963 -4.3985 GPRESSAVG: 4741400 13.6927 -50.3197 36.4597 -51.2245 40.2242 8.31083 35.0927 8.85262 -2.82435 TIMING: 4741400 CPU: 14237, 0.00298012/step Wall: 14237, 0.00298012/step, 0.214072 hours remaining, 209.390625 MB of memory in use. ENERGY: 4741400 721.6562 2107.9786 1950.5821 109.5639 -205961.8082 17490.6741 0.0000 0.0000 34275.9335 -149305.4199 299.3403 -183581.3534 -149216.7611 299.3168 -97.2474 -62.0020 556760.9939 16.7161 17.0308 PRESSURE: 4741600 -64.8773 -62.6288 17.9582 -62.6288 -176.768 -60.4968 17.9583 -60.5002 -270.183 GPRESSURE: 4741600 -13.0794 -31.3162 -96.298 -120.431 -134.754 -96.2267 20.0458 -70.3524 -254.336 PRESSAVG: 4741600 -15.6034 -79.0727 25.2178 -79.0726 -5.66486 -37.4867 25.2179 -37.4868 -0.465751 GPRESSAVG: 4741600 -15.267 -80.008 23.7682 -79.9654 -5.5204 -35.2956 26.6343 -38.9747 -1.19393 TIMING: 4741600 CPU: 14237.6, 0.00300107/step Wall: 14237.6, 0.00300107/step, 0.21541 hours remaining, 209.390625 MB of memory in use. ENERGY: 4741600 697.8210 2010.2629 1931.6974 116.8174 -205999.9917 17376.3977 0.0000 0.0000 34497.2573 -149369.7381 301.2731 -183866.9954 -149265.2562 299.5854 -170.6092 -134.0564 556897.6211 -7.2447 -7.3271 PRESSURE: 4741800 37.168 -107.66 40.5736 -107.66 -170.056 -83.3986 40.5752 -83.3982 -97.7249 GPRESSURE: 4741800 72.7717 -100.371 62.9428 -102.365 -137.616 -130.044 -17.0751 3.99743 -48.6221 PRESSAVG: 4741800 -13.834 4.13039 0.89064 4.13035 0.546189 -15.1664 0.890623 -15.1665 41.8421 GPRESSAVG: 4741800 -12.6892 6.69959 2.89119 2.08199 0.0585183 -16.9573 -1.42952 -15.1607 41.6045 TIMING: 4741800 CPU: 14238.2, 0.00299962/step Wall: 14238.2, 0.00299962/step, 0.21514 hours remaining, 209.390625 MB of memory in use. ENERGY: 4741800 741.0616 2100.8693 1941.2850 104.1737 -206250.7681 17701.1911 0.0000 0.0000 34448.7995 -149213.3880 300.8499 -183662.1875 -149111.1787 299.6964 -76.8711 -37.8223 556728.3334 9.5181 9.6579 PRESSURE: 4742000 262.273 -39.5219 -71.3222 -39.5223 -33.6602 141.005 -71.3213 141.004 -36.2069 GPRESSURE: 4742000 300.978 -1.04472 55.139 -84.9747 15.6763 72.548 -68.868 141.696 -13.7158 PRESSAVG: 4742000 15.4822 39.7253 7.37645 39.7253 42.7045 -18.5308 7.37638 -18.5308 -63.4929 GPRESSAVG: 4742000 14.7364 40.7492 5.73501 40.203 43.6831 -20.4003 10.7395 -16.1153 -63.9387 TIMING: 4742000 CPU: 14238.8, 0.00302622/step Wall: 14238.8, 0.00302622/step, 0.216879 hours remaining, 209.390625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4742000 768.0475 2123.9745 1965.4307 118.3943 -206595.3281 18075.3698 0.0000 0.0000 34310.2178 -149233.8936 299.6397 -183544.1114 -149138.7906 299.2522 64.1353 100.9795 557450.9052 -1.7687 -1.8398 PRESSURE: 4742200 45.3629 88.5012 -35.2932 88.501 298.975 218.831 -35.2939 218.831 89.3947 GPRESSURE: 4742200 63.2049 27.5785 -66.5478 151.095 323.863 167.513 -11.9512 230.332 146.156 PRESSAVG: 4742200 19.176 15.0851 -10.8102 15.0851 -33.7826 45.1785 -10.8102 45.1785 -1.81574 GPRESSAVG: 4742200 18.7927 12.0829 -10.4607 18.6252 -34.1891 47.7694 -10.5241 41.5931 -1.4447 TIMING: 4742200 CPU: 14239.4, 0.00299476/step Wall: 14239.4, 0.00299476/step, 0.214458 hours remaining, 209.390625 MB of memory in use. ENERGY: 4742200 719.6846 2091.6762 1943.4073 105.3026 -206464.3447 17943.3927 0.0000 0.0000 34413.9464 -149246.9348 300.5456 -183660.8812 -149145.9862 299.1304 144.5775 177.7413 554266.3166 -5.4741 -5.6137 PRESSURE: 4742400 122.416 162.267 -34.9421 162.266 191.205 97.5462 -34.9428 97.5452 -14.1507 GPRESSURE: 4742400 200.687 96.3875 -80.05 180.766 157.323 114.991 -61.2399 87.4408 40.8681 PRESSAVG: 4742400 16.2556 37.0537 -0.713593 37.0537 -11.4702 58.4772 -0.713591 58.4772 22.1959 GPRESSAVG: 4742400 17.3079 37.0512 -1.93078 35.1786 -13.017 58.2953 -2.87884 60.0506 22.6683 TIMING: 4742400 CPU: 14240, 0.00299261/step Wall: 14240, 0.00299261/step, 0.214138 hours remaining, 209.390625 MB of memory in use. ENERGY: 4742400 733.8151 2065.0195 1919.6291 105.8170 -206053.9252 17828.4271 0.0000 0.0000 34296.5619 -149104.6555 299.5204 -183401.2175 -149009.2027 299.4085 99.8233 132.9594 556319.0229 8.9938 8.9864 PRESSURE: 4742600 107.79 -5.73605 -31.7671 -5.73653 -200.703 -70.8817 -31.7667 -70.8808 -93.3239 GPRESSURE: 4742600 111.607 -98.4625 -45.1798 66.7469 -150.865 -67.6285 -14.4689 -49.6404 -65.7266 PRESSAVG: 4742600 -8.45151 18.5899 39.9182 18.59 1.26503 33.5566 39.9181 33.5568 23.4222 GPRESSAVG: 4742600 -9.4184 17.1334 40.9765 19.5562 3.37977 33.3592 41.0679 33.0624 22.381 TIMING: 4742600 CPU: 14240.6, 0.00302468/step Wall: 14240.6, 0.00302468/step, 0.216265 hours remaining, 209.390625 MB of memory in use. ENERGY: 4742600 714.5587 2052.8154 1952.7582 118.0352 -205822.2749 17618.5843 0.0000 0.0000 34424.7652 -148940.7579 300.6400 -183365.5231 -148845.5591 299.8242 -62.0788 -34.9947 557939.0638 5.4119 5.4474 PRESSURE: 4742800 -117.777 -6.21652 81.8067 -6.21658 258.737 14.7313 81.8052 14.7316 89.0694 GPRESSURE: 4742800 -116.755 -70.0074 157.727 62.697 303.387 32.1086 135.043 -51.4664 131.2 PRESSAVG: 4742800 25.2302 -14.5372 -11.3821 -14.5373 -38.6695 -4.81052 -11.3822 -4.81054 -13.9442 GPRESSAVG: 4742800 25.8477 -12.275 -10.9236 -15.8056 -39.7956 -5.28672 -12.0586 -4.43732 -12.7951 TIMING: 4742800 CPU: 14241.2, 0.00300286/step Wall: 14241.2, 0.00300286/step, 0.214538 hours remaining, 209.390625 MB of memory in use. ENERGY: 4742800 755.7929 2096.1966 1938.2708 108.9521 -205836.0997 17806.0543 0.0000 0.0000 34263.3972 -148867.4359 299.2308 -183130.8331 -148773.3447 300.0850 76.6763 105.9440 557914.1578 -9.1278 -8.9144 PRESSURE: 4743000 -71.4314 53.6963 97.0897 53.6977 -137.987 -106.49 97.0889 -106.489 143.84 GPRESSURE: 4743000 -52.8909 16.2226 114.098 5.195 -99.0627 -18.9901 25.7139 -118.948 174.493 PRESSAVG: 4743000 53.4236 28.7441 23.5702 28.7442 -8.11142 9.67679 23.5702 9.67685 -8.95938 GPRESSAVG: 4743000 53.3767 28.5694 20.3212 27.9695 -8.11652 8.4152 24.577 10.655 -9.45653 TIMING: 4743000 CPU: 14241.8, 0.00297001/step Wall: 14241.8, 0.00297001/step, 0.212025 hours remaining, 209.390625 MB of memory in use. ENERGY: 4743000 761.3017 2075.3095 1938.7245 113.8712 -206114.7066 17952.9666 0.0000 0.0000 34543.5270 -148729.0060 301.6772 -183272.5330 -148634.4121 301.0869 -21.8592 7.5131 558291.0016 12.1176 11.9346 PRESSURE: 4743200 -200.492 133.952 27.7222 133.953 -130.524 -35.3634 27.7224 -35.364 44.2822 GPRESSURE: 4743200 -166.434 65.3104 15.7671 227.527 -79.0835 -47.1123 -35.4481 -25.8573 52.7853 PRESSAVG: 4743200 23.241 34.4688 17.2962 34.4688 -153.84 -14.8875 17.2962 -14.8876 93.396 GPRESSAVG: 4743200 23.389 35.405 19.8961 34.2255 -154.049 -15.7592 15.6125 -16.067 93.5124 TIMING: 4743200 CPU: 14242.4, 0.00297328/step Wall: 14242.4, 0.00297328/step, 0.212094 hours remaining, 209.390625 MB of memory in use. ENERGY: 4743200 752.7943 2068.5077 1936.4731 115.3681 -205848.2649 17752.6932 0.0000 0.0000 34353.4484 -148868.9802 300.0172 -183222.4285 -148763.1842 300.9587 -95.5781 -64.2441 558481.9731 -12.4009 -12.3824 PRESSURE: 4743400 -177.349 42.4038 21.416 42.4038 -114.551 194.139 21.4162 194.139 129.218 GPRESSURE: 4743400 -141.062 113.606 69.7923 54.7723 -105.948 223.454 -33.3953 123.358 181.561 PRESSAVG: 4743400 -60.9005 14.6822 -66.7263 14.6823 -23.5483 4.12001 -66.7263 4.12006 110.556 GPRESSAVG: 4743400 -61.2436 14.1653 -65.9705 15.9943 -24.5969 4.16998 -66.879 3.84873 111.057 TIMING: 4743400 CPU: 14243, 0.00296432/step Wall: 14243, 0.00296432/step, 0.21129 hours remaining, 209.390625 MB of memory in use. ENERGY: 4743400 746.0628 2088.6199 1953.9618 125.5345 -206277.4410 17944.1064 0.0000 0.0000 34646.2441 -148772.9116 302.5743 -183419.1556 -148681.1974 300.9132 -54.2272 -21.8163 558339.7230 8.7024 8.4053 PRESSURE: 4743600 54.8522 -7.30263 -131.046 -7.3023 -137.51 22.3631 -131.047 22.3628 176.378 GPRESSURE: 4743600 129.512 -4.26217 -98.8875 67.8176 -98.4126 5.28838 -124.638 7.55401 162.47 PRESSAVG: 4743600 7.68744 19.2645 18.4766 19.2645 -12.7896 -33.0415 18.4765 -33.0415 -54.4442 GPRESSAVG: 4743600 7.60923 18.5033 18.9679 18.4516 -11.466 -31.6789 19.9649 -33.5746 -55.6082 TIMING: 4743600 CPU: 14243.6, 0.00297748/step Wall: 14243.6, 0.00297748/step, 0.212063 hours remaining, 209.390625 MB of memory in use. ENERGY: 4743600 744.4496 2104.0728 1944.5414 105.1696 -205984.5998 17838.2778 0.0000 0.0000 34390.5204 -148857.5682 300.3410 -183248.0886 -148761.3347 300.3903 31.2400 64.5232 557969.8504 -19.8488 -19.8217 PRESSURE: 4743800 -138.533 -154.384 -27.5114 -154.384 -169.286 67.3834 -27.5122 67.3827 -233.14 GPRESSURE: 4743800 -164.052 -208.929 -12.1632 -220.913 -127.093 59.4877 47.143 90.4897 -150.95 PRESSAVG: 4743800 18.2033 25.2538 -5.72816 25.2538 2.81815 49.3531 -5.72818 49.353 -6.23379 GPRESSAVG: 4743800 17.9274 25.3907 -7.99879 25.8827 2.72577 47.9536 -6.01199 51.2493 -5.63822 TIMING: 4743800 CPU: 14244.2, 0.00297119/step Wall: 14244.2, 0.00297119/step, 0.21145 hours remaining, 209.390625 MB of memory in use. ENERGY: 4743800 734.1031 2076.5324 1957.0538 113.3706 -205979.2052 17693.5720 0.0000 0.0000 34321.1700 -149083.4033 299.7353 -183404.5733 -148984.3125 300.2353 -180.3198 -147.3651 558052.0862 4.9292 5.0050 PRESSURE: 4744000 37.9103 -3.81106 -22.0007 -3.81043 -243.898 115.53 -22.0011 115.53 159.142 GPRESSURE: 4744000 79.9985 -3.9786 2.43746 -77.9882 -186.357 58.4905 -61.47 170.722 165.877 PRESSAVG: 4744000 44.4713 -49.5693 -24.9496 -49.5693 -67.788 29.1132 -24.9497 29.1132 -11.0648 GPRESSAVG: 4744000 44.2171 -47.9964 -24.5524 -51.6909 -68.2197 31.6297 -26.9364 27.9038 -10.459 TIMING: 4744000 CPU: 14244.8, 0.00296587/step Wall: 14244.8, 0.00296587/step, 0.210906 hours remaining, 209.390625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4744000 736.1709 2026.8285 1946.1100 108.1685 -206100.7376 17776.7610 0.0000 0.0000 34496.9656 -149009.7331 301.2706 -183506.6986 -148909.1337 299.8205 -15.6151 19.8395 557315.5114 -11.4605 -11.4872 PRESSURE: 4744200 13.0139 76.4996 -145.581 76.4983 38.6417 -30.1491 -145.582 -30.1482 80.5577 GPRESSURE: 4744200 -24.6324 -21.0325 -77.8233 114.298 54.517 28.7357 -153.355 -99.6277 190.601 PRESSAVG: 4744200 52.3523 -60.3622 -41.6369 -60.3622 -13.2362 -14.1839 -41.637 -14.1839 -8.63712 GPRESSAVG: 4744200 52.9284 -62.4719 -41.4674 -58.6543 -13.2832 -16.5116 -40.9708 -11.9971 -9.55084 TIMING: 4744200 CPU: 14245.4, 0.00299884/step Wall: 14245.4, 0.00299884/step, 0.213085 hours remaining, 209.390625 MB of memory in use. ENERGY: 4744200 700.1803 2064.7312 1951.2849 113.4877 -206243.8476 17915.9396 0.0000 0.0000 34396.5845 -149101.6393 300.3939 -183498.2239 -149008.3733 299.6917 44.0711 73.4952 558354.4075 10.1597 10.0315 LDB: ============= START OF LOAD BALANCING ============== 14248.9 LDB: ============== END OF LOAD BALANCING =============== 14248.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14248.9 LDB: ============= START OF LOAD BALANCING ============== 14249.2 LDB: Largest compute 4773 load 0.025665 is 21.7% of average load 0.118249 LDB: Average compute 0.001726 is 1.5% of average load 0.118249 LDB: TIME 14249.2 LOAD: AVG 0.118249 MAX 0.21755 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.555 MB LDB: TIME 14249.2 LOAD: AVG 0.118249 MAX 0.21755 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.555 MB LDB: TIME 14249.2 LOAD: AVG 0.118249 MAX 0.21755 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.555 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14249.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14249.2 PRESSURE: 4744400 92.238 13.4807 11.0991 13.4798 -73.8788 6.50944 11.0984 6.50982 -4.8241 GPRESSURE: 4744400 159.965 -2.46386 17.7359 28.3504 -73.6331 20.3905 24.1394 66.2804 24.4427 PRESSAVG: 4744400 52.8967 1.35602 27.6235 1.35608 -11.967 -44.6147 27.6236 -44.6146 -41.1931 GPRESSAVG: 4744400 52.7886 1.50554 29.5815 0.542236 -11.0052 -43.555 26.9389 -45.3978 -41.7239 TIMING: 4744400 CPU: 14246, 0.00305718/step Wall: 14246, 0.00305718/step, 0.21706 hours remaining, 209.593750 MB of memory in use. ENERGY: 4744400 754.2123 2087.4242 1918.1478 110.7911 -206101.9973 17827.9311 0.0000 0.0000 34154.2910 -149249.1998 298.2779 -183403.4908 -149154.0027 299.8909 4.5117 36.9249 556393.0372 -0.0878 0.0198 PRESSURE: 4744600 64.2443 78.5853 89.9766 78.5845 19.2746 117.107 89.9747 117.106 -76.1839 GPRESSURE: 4744600 132.137 27.1477 67.804 173.906 31.781 156.858 33.1216 95.6815 -61.5942 PRESSAVG: 4744600 -12.0109 16.4079 74.6058 16.4078 50.2318 51.5032 74.6056 51.503 -15.1676 GPRESSAVG: 4744600 -12.0804 16.9414 71.7915 18.6229 49.9718 53.0363 76.6244 50.1661 -14.4902 TIMING: 4744600 CPU: 14246.6, 0.00302187/step Wall: 14246.6, 0.00302187/step, 0.214385 hours remaining, 209.835938 MB of memory in use. ENERGY: 4744600 701.0912 2091.3179 1935.0518 117.3692 -206311.9327 18064.5998 0.0000 0.0000 34166.8571 -149235.6459 298.3877 -183402.5030 -149132.3947 299.6311 2.4450 34.1078 558255.9276 7.6844 7.8004 PRESSURE: 4744800 -341.691 11.9945 -46.859 11.9955 -89.2869 55.6772 -46.858 55.6776 6.11976 GPRESSURE: 4744800 -339.026 -85.575 -66.4056 19.8041 -34.8412 -5.68939 33.8352 165.05 42.4437 PRESSAVG: 4744800 31.3101 0.628879 -19.2553 0.628901 -9.98264 -26.6014 -19.2553 -26.6014 21.4949 GPRESSAVG: 4744800 32.5356 -1.90904 -19.3091 0.834936 -10.2405 -26.3291 -19.2896 -25.0022 20.5516 TIMING: 4744800 CPU: 14247.2, 0.0030071/step Wall: 14247.2, 0.0030071/step, 0.21317 hours remaining, 209.835938 MB of memory in use. ENERGY: 4744800 744.5351 2087.6367 1956.8243 121.9765 -205942.1824 17578.6888 0.0000 0.0000 34244.7165 -149207.8045 299.0676 -183452.5210 -149115.7258 298.8397 -141.6193 -110.4746 560089.8248 14.2741 14.2823 PRESSURE: 4745000 -94.3496 -59.6936 10.7061 -59.6935 17.7162 -101.897 10.7063 -101.898 107.312 GPRESSURE: 4745000 -72.8296 -151.282 29.4859 -44.1256 102.164 -74.5938 29.8378 -136.997 96.0404 PRESSAVG: 4745000 -16.1553 41.5137 8.78123 41.5137 7.62654 23.8829 8.78121 23.8829 6.99782 GPRESSAVG: 4745000 -16.8934 42.9176 10.1237 41.2197 7.87206 19.619 6.78502 23.2156 7.64726 TIMING: 4745000 CPU: 14247.8, 0.0030003/step Wall: 14247.8, 0.0030003/step, 0.212521 hours remaining, 209.835938 MB of memory in use. ENERGY: 4745000 768.2811 2088.6517 1940.8817 113.8067 -206005.0022 17750.6719 0.0000 0.0000 34006.0508 -149336.6583 296.9833 -183342.7091 -149246.3938 298.5751 10.2263 41.7917 557460.7008 -0.5103 -0.4580 PRESSURE: 4745200 1.39203 -48.0846 -41.2112 -48.0849 -31.7264 72.4852 -41.2111 72.4837 -170.512 GPRESSURE: 4745200 24.1526 -134.287 -91.1593 -77.2727 26.7333 107.767 21.4126 43.6348 -157.874 PRESSAVG: 4745200 16.0116 34.6429 -14.3255 34.6429 22.9634 10.9972 -14.3255 10.9971 -9.97858 GPRESSAVG: 4745200 15.9215 34.2191 -14.679 35.8959 22.0745 12.1481 -12.5891 12.1321 -8.73133 TIMING: 4745200 CPU: 14248.4, 0.00297748/step Wall: 14248.4, 0.00297748/step, 0.21074 hours remaining, 209.835938 MB of memory in use. ENERGY: 4745200 765.6767 2030.1268 1914.3288 106.0226 -205902.0083 17570.1236 0.0000 0.0000 34320.0426 -149195.6872 299.7255 -183515.7298 -149094.3656 299.3459 -66.9487 -35.6626 557318.8893 9.6655 9.7549 PRESSURE: 4745400 -144.326 -8.87394 -39.1582 -8.87281 -24.9692 33.4479 -39.1587 33.4491 -359.095 GPRESSURE: 4745400 -80.0492 4.90168 -96.7907 -14.5774 10.8167 137.576 -79.8102 112.596 -361.869 PRESSAVG: 4745400 17.8886 -8.78415 -7.17604 -8.78408 -43.1965 17.908 -7.17598 17.908 -29.2507 GPRESSAVG: 4745400 18.5743 -6.03123 -6.08631 -12.7873 -41.1679 20.7273 -9.06622 16.6547 -31.8603 TIMING: 4745400 CPU: 14249, 0.00298281/step Wall: 14249, 0.00298281/step, 0.210951 hours remaining, 209.835938 MB of memory in use. ENERGY: 4745400 763.4003 2049.1564 1928.9571 109.4446 -205767.7559 17579.5965 0.0000 0.0000 34327.9215 -149009.2795 299.7943 -183337.2010 -148913.8491 299.1583 -176.1301 -143.7006 558070.2731 -18.1862 -18.1513 PRESSURE: 4745600 -33.484 -135.766 93.7982 -135.765 87.6666 2.02987 93.7998 2.02955 190.936 GPRESSURE: 4745600 -11.6522 -90.468 83.6055 -100.195 122.541 -44.5355 122.959 93.4713 226.442 PRESSAVG: 4745600 -30.0982 -10.4435 9.71012 -10.4436 35.4078 16.7076 9.71004 16.7076 -17.3624 GPRESSAVG: 4745600 -30.3399 -13.3019 7.77028 -6.96634 35.1891 15.375 10.3679 16.459 -16.9776 TIMING: 4745600 CPU: 14249.6, 0.00297113/step Wall: 14249.6, 0.00297113/step, 0.20996 hours remaining, 209.835938 MB of memory in use. ENERGY: 4745600 759.8383 2050.9098 1944.2572 104.0515 -206262.8458 17967.5928 0.0000 0.0000 34187.4189 -149248.7773 298.5672 -183436.1962 -149146.0198 299.2894 81.7062 112.4438 556111.9833 -4.0176 -4.0428 PRESSURE: 4745800 54.3537 38.9438 -5.35582 38.9437 153.341 -116.846 -5.35398 -116.846 206.79 GPRESSURE: 4745800 36.724 120.12 -29.5944 -1.28864 234.371 -204.258 46.1244 14.7814 237.123 PRESSAVG: 4745800 -18.7037 -45.9425 31.2369 -45.9425 9.94721 -60.0475 31.237 -60.0473 11.7389 GPRESSAVG: 4745800 -18.4871 -44.1093 31.0138 -48.0229 9.33652 -58.6824 32.4427 -60.8969 11.9822 TIMING: 4745800 CPU: 14250.2, 0.00297857/step Wall: 14250.2, 0.00297857/step, 0.21032 hours remaining, 209.835938 MB of memory in use. ENERGY: 4745800 747.6079 2051.2194 1938.4462 110.3873 -206193.4839 18054.6149 0.0000 0.0000 34155.8419 -149135.3664 298.2915 -183291.2083 -149040.2979 299.4910 138.1616 169.4061 557204.7438 0.9942 0.9439 PRESSURE: 4746000 59.3727 160.583 64.1194 160.583 418.786 -78.5984 64.1209 -78.5995 368.122 GPRESSURE: 4746000 107.398 231.887 -16.6028 107.599 452.827 -26.6082 106.194 -118.992 383.971 PRESSAVG: 4746000 -4.47739 -23.1902 -17.8306 -23.1903 61.1394 -15.5976 -17.8306 -15.5975 -11.7588 GPRESSAVG: 4746000 -4.50653 -21.9354 -15.4899 -24.2709 62.0234 -15.5378 -17.0847 -15.245 -11.7047 TIMING: 4746000 CPU: 14250.8, 0.00300154/step Wall: 14250.8, 0.00300154/step, 0.211776 hours remaining, 209.835938 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: 4746000 754.1728 2051.5131 1919.9728 109.1244 -206475.6628 18012.6458 0.0000 0.0000 34288.7526 -149339.4812 299.4522 -183628.2338 -149239.4617 300.2058 282.0934 314.7318 555246.4485 14.9677 15.2707 PRESSURE: 4746200 -44.6017 10.8352 -33.4097 10.834 87.364 -65.2349 -33.4103 -65.2339 -45.7792 GPRESSURE: 4746200 -4.90509 14.4591 -23.9968 -107.509 125.547 -110.747 5.98042 -103.626 -32.4488 PRESSAVG: 4746200 -33.4114 -24.2271 -16.3343 -24.227 8.12731 -17.5894 -16.3344 -17.5894 18.3987 GPRESSAVG: 4746200 -33.8453 -25.7322 -17.0054 -23.3959 7.87021 -19.4364 -18.3948 -17.6278 18.8977 TIMING: 4746200 CPU: 14251.4, 0.00298381/step Wall: 14251.4, 0.00298381/step, 0.210359 hours remaining, 209.835938 MB of memory in use. ENERGY: 4746200 752.5847 2094.2059 1941.9731 123.9568 -206113.9196 17749.0115 0.0000 0.0000 34059.2429 -149392.9447 297.4478 -183452.1876 -149295.7318 298.8934 -1.0056 29.3978 557443.2704 -2.2951 -2.3591 PRESSURE: 4746400 -148.996 -49.9201 -133.067 -49.921 -32.2008 -23.9225 -133.067 -23.923 -296.466 GPRESSURE: 4746400 -184.479 -111.989 -166.406 -90.2762 23.0197 75.8344 -138.444 -14.658 -238.987 PRESSAVG: 4746400 -25.036 -5.15859 -39.9218 -5.15858 17.9137 -51.1351 -39.9217 -51.1351 -12.366 GPRESSAVG: 4746400 -25.0637 -5.10735 -40.3295 -5.76249 18.1171 -48.7695 -37.9633 -53.3367 -12.0145 TIMING: 4746400 CPU: 14252, 0.00300817/step Wall: 14252, 0.00300817/step, 0.211909 hours remaining, 209.835938 MB of memory in use. ENERGY: 4746400 772.6180 2097.3216 1939.2399 101.3857 -206238.2478 17613.8698 0.0000 0.0000 34357.3171 -149356.4957 300.0510 -183713.8128 -149268.4778 298.1609 -159.2212 -133.4822 559183.4007 -6.4961 -6.3203 PRESSURE: 4746600 -54.8726 -51.4767 -37.7941 -51.4769 -294.605 -169.807 -37.7943 -169.805 -150.374 GPRESSURE: 4746600 -64.5046 -54.5755 5.22479 17.7521 -225.12 -181.082 -28.7854 -180.705 -119.373 PRESSAVG: 4746600 -10.2678 -13.8827 -45.6418 -13.8827 -45.5238 -34.8814 -45.6417 -34.8813 41.2549 GPRESSAVG: 4746600 -9.48621 -13.3947 -43.811 -12.5168 -46.6857 -36.633 -47.6829 -31.9842 41.4513 TIMING: 4746600 CPU: 14252.6, 0.00299638/step Wall: 14252.6, 0.00299638/step, 0.210912 hours remaining, 209.835938 MB of memory in use. ENERGY: 4746600 728.9867 2082.2830 1934.2568 107.0525 -205949.5604 17588.7366 0.0000 0.0000 34234.8181 -149273.4265 298.9812 -183508.2447 -149179.5906 299.5830 -166.6173 -136.3324 558724.1431 -4.8456 -4.9069 PRESSURE: 4746800 -229.998 55.8205 106.127 55.8208 -25.3329 153.593 106.127 153.592 22.6728 GPRESSURE: 4746800 -229.64 12.7485 168.494 57.8186 82.1563 234.444 -36.493 142.903 17.4806 PRESSAVG: 4746800 -25.6633 51.1317 -26.3728 51.1318 -54.8824 -33.9591 -26.3729 -33.959 64.1873 GPRESSAVG: 4746800 -25.3048 50.0737 -28.119 49.6507 -53.4111 -34.1582 -25.3057 -33.6277 62.8912 TIMING: 4746800 CPU: 14253.1, 0.00297287/step Wall: 14253.1, 0.00297287/step, 0.209092 hours remaining, 209.835938 MB of memory in use. ENERGY: 4746800 766.2277 2019.5574 1964.6879 114.2760 -206278.2488 17921.7491 0.0000 0.0000 34274.6480 -149217.1028 299.3290 -183491.7508 -149117.0325 299.3714 -77.5526 -43.3342 560136.5624 -5.4528 -5.2749 PRESSURE: 4747000 -178.008 12.2999 -35.0755 12.3002 28.2073 -130.616 -35.0759 -130.617 5.24462 GPRESSURE: 4747000 -164.443 24.7024 -47.3651 -36.1971 85.7098 -62.4183 -6.8723 -96.773 24.9409 PRESSAVG: 4747000 6.15206 19.4973 -13.8801 19.4974 -11.9242 -19.6087 -13.8801 -19.6087 -16.599 GPRESSAVG: 4747000 5.59235 19.3446 -12.7968 18.3532 -12.4452 -16.1346 -13.3699 -21.916 -15.769 TIMING: 4747000 CPU: 14253.7, 0.00296835/step Wall: 14253.7, 0.00296835/step, 0.208609 hours remaining, 209.835938 MB of memory in use. ENERGY: 4747000 724.6060 2082.0781 1920.9331 114.1441 -206137.1545 17788.4578 0.0000 0.0000 34339.8754 -149167.0599 299.8987 -183506.9353 -149064.0868 298.7164 -48.1854 -17.9308 558764.4243 -7.4570 -7.5406 PRESSURE: 4747200 -77.7116 -151.061 -107.355 -151.061 -39.4479 83.3554 -107.355 83.3558 -245.968 GPRESSURE: 4747200 -47.5934 -129.829 -158.137 -181.295 -69.2452 14.8135 -58.4643 161.44 -147.745 PRESSAVG: 4747200 -62.1648 7.24985 -10.5311 7.24981 93.5465 -13.7611 -10.5311 -13.761 18.8785 GPRESSAVG: 4747200 -61.5988 6.77308 -12.4076 8.98487 93.5285 -17.2406 -9.69586 -11.2616 18.2575 TIMING: 4747200 CPU: 14254.3, 0.00299739/step Wall: 14254.3, 0.00299739/step, 0.210484 hours remaining, 209.835938 MB of memory in use. ENERGY: 4747200 750.3326 2125.8174 1951.4660 123.7152 -205999.4246 17725.8351 0.0000 0.0000 34225.6994 -149096.5590 298.9015 -183322.2584 -149003.6427 300.0277 -121.0427 -88.1945 558492.3947 16.7534 16.7290 PRESSURE: 4747400 -266.358 -31.1034 -79.4566 -31.1037 -174.331 114.761 -79.4565 114.761 -151.347 GPRESSURE: 4747400 -244.315 -1.36673 -97.2828 -13.9832 -163.949 83.7237 -48.1686 103.824 -76.8947 PRESSAVG: 4747400 -16.7578 -6.84277 -33.9499 -6.84271 6.94533 -19.6634 -33.9498 -19.6633 -26.5495 GPRESSAVG: 4747400 -18.2159 -5.77808 -31.8435 -6.73009 6.94105 -18.9099 -34.3489 -20.2385 -25.4538 TIMING: 4747400 CPU: 14254.9, 0.00301444/step Wall: 14254.9, 0.00301444/step, 0.211514 hours remaining, 209.835938 MB of memory in use. ENERGY: 4747400 733.8537 2090.2104 1931.6462 109.4990 -205863.1729 17517.0377 0.0000 0.0000 34355.7209 -149125.2050 300.0371 -183480.9259 -149031.5592 299.7504 -197.3453 -161.7195 559242.3961 -12.1207 -12.2429 PRESSURE: 4747600 449.553 -63.7625 -57.4408 -63.7613 -35.1171 8.60075 -57.4407 8.6002 25.7978 GPRESSURE: 4747600 550.383 37.9811 -21.7532 -125.078 -77.09 -67.476 -155.94 33.8056 59.0809 PRESSAVG: 4747600 71.1747 -48.2935 -36.795 -48.2935 27.9956 8.62299 -36.7949 8.6231 -80.2443 GPRESSAVG: 4747600 72.489 -46.5567 -37.4669 -48.5875 26.8292 9.43922 -38.4946 7.85579 -80.4536 TIMING: 4747600 CPU: 14255.5, 0.00297887/step Wall: 14255.5, 0.00297887/step, 0.208852 hours remaining, 209.835938 MB of memory in use. ENERGY: 4747600 690.6963 2115.0856 1947.9484 105.7730 -206263.0165 17937.1423 0.0000 0.0000 34194.3649 -149272.0060 298.6279 -183466.3709 -149179.5903 299.6405 146.7444 177.4579 557477.2297 6.3087 6.2882 PRESSURE: 4747800 -35.7592 48.7275 -65.5738 48.7275 -85.3539 -129.041 -65.5741 -129.041 90.467 GPRESSURE: 4747800 47.2314 36.3683 -98.0504 63.5985 -92.6145 -115.707 -42.9605 -128.567 113.509 PRESSAVG: 4747800 21.5028 -32.226 -29.3492 -32.2259 -37.847 -11.8836 -29.3492 -11.8837 33.6853 GPRESSAVG: 4747800 20.2839 -35.0894 -29.4507 -30.2492 -36.4115 -11.9845 -28.274 -11.3724 33.373 TIMING: 4747800 CPU: 14256.1, 0.00298987/step Wall: 14256.1, 0.00298987/step, 0.209457 hours remaining, 209.835938 MB of memory in use. ENERGY: 4747800 753.2587 2099.9873 1957.0186 116.7608 -206453.1910 17803.3859 0.0000 0.0000 34427.0125 -149295.7671 300.6597 -183722.7796 -149207.9039 299.4697 -10.2154 22.7087 556966.7173 5.7803 5.7485 PRESSURE: 4748000 -24.2726 -33.538 -207.313 -33.5382 227.901 -267.907 -207.311 -267.905 -19.1234 GPRESSURE: 4748000 21.4614 -58.0545 -204.029 41.7847 268.491 -273.891 -235.568 -172.068 -16.4278 PRESSAVG: 4748000 79.1501 -1.45264 -54.1716 -1.45269 30.7204 3.47294 -54.1716 3.47274 -86.7207 GPRESSAVG: 4748000 78.6625 -0.921151 -54.67 -1.74513 31.7661 4.02406 -53.7132 5.39823 -87.151 TIMING: 4748000 CPU: 14256.7, 0.00298541/step Wall: 14256.7, 0.00298541/step, 0.208978 hours remaining, 210.039062 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: 4748000 735.1334 2108.1481 1917.5298 117.8029 -206412.8263 17842.3872 0.0000 0.0000 34412.2336 -149279.5913 300.5306 -183691.8249 -149186.5385 300.1524 61.5016 91.1749 554962.5074 7.7166 7.7592 PRESSURE: 4748200 23.2311 -2.49394 -3.28448 -2.4933 35.4315 -91.9589 -3.28619 -91.96 -5.82239 GPRESSURE: 4748200 128.337 -55.7079 6.43059 -46.9961 40.4332 -20.5058 -33.6908 -103.435 -24.6224 PRESSAVG: 4748200 0.99056 -19.5336 7.30311 -19.5336 66.4934 29.3492 7.30304 29.3493 -77.8934 GPRESSAVG: 4748200 1.65193 -21.8176 5.64493 -19.0866 65.2704 29.248 7.82676 27.3397 -77.8808 TIMING: 4748200 CPU: 14257.3, 0.00300188/step Wall: 14257.3, 0.00300188/step, 0.209965 hours remaining, 210.039062 MB of memory in use. ENERGY: 4748200 739.3512 2071.9828 1919.3832 104.2225 -206125.4828 17943.9787 0.0000 0.0000 34266.3848 -149080.1796 299.2569 -183346.5644 -148982.5438 300.1586 17.6134 48.0493 555954.5772 -3.4698 -3.6528 LDB: ============= START OF LOAD BALANCING ============== 14260.9 LDB: ============== END OF LOAD BALANCING =============== 14260.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14260.9 LDB: ============= START OF LOAD BALANCING ============== 14261.2 LDB: Largest compute 4773 load 0.026499 is 22.4% of average load 0.118223 LDB: Average compute 0.001727 is 1.5% of average load 0.118223 LDB: TIME 14261.2 LOAD: AVG 0.118223 MAX 0.21845 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.418 MB LDB: TIME 14261.2 LOAD: AVG 0.118223 MAX 0.21845 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.418 MB LDB: TIME 14261.2 LOAD: AVG 0.118223 MAX 0.21845 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.418 MB LDB: ============== END OF LOAD BALANCING =============== 14261.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14261.2 PRESSURE: 4748400 -164.721 138.642 97.274 138.642 102.741 -47.4519 97.2741 -47.451 -264.152 GPRESSURE: 4748400 -106.197 55.251 81.6468 214.064 111.495 -114.111 34.4 -90.8613 -237.814 PRESSAVG: 4748400 40.9387 6.32408 37.3844 6.32413 31.181 4.75352 37.3843 4.75345 -82.7157 GPRESSAVG: 4748400 41.5271 8.00708 38.3913 4.94238 30.4821 6.01896 36.5814 4.49357 -82.6472 TIMING: 4748400 CPU: 14257.9, 0.00307317/step Wall: 14257.9, 0.00307317/step, 0.21478 hours remaining, 209.542969 MB of memory in use. ENERGY: 4748400 737.0074 2080.7822 1931.4908 109.3846 -205873.0318 17678.1487 0.0000 0.0000 34171.8992 -149164.3189 298.4317 -183336.2182 -149067.4628 299.9494 -108.7109 -77.5055 556985.8010 -3.5320 -3.5460 PRESSURE: 4748600 -18.8209 -146.135 -157.542 -146.135 -20.8122 -93.3623 -157.543 -93.3607 2.43079 GPRESSURE: 4748600 -15.2528 -45.0538 -139.097 -159.635 21.1956 -35.6909 -170.876 -102.109 48.4525 PRESSAVG: 4748600 16.4868 -63.9426 47.729 -63.9426 23.2192 -23.7501 47.729 -23.7502 -15.5708 GPRESSAVG: 4748600 15.656 -62.1689 51.2156 -63.6679 24.0545 -25.1361 48.1542 -23.5731 -15.5832 TIMING: 4748600 CPU: 14258.5, 0.00298986/step Wall: 14258.5, 0.00298986/step, 0.208792 hours remaining, 209.746094 MB of memory in use. ENERGY: 4748600 733.3417 2035.1122 1931.7775 115.3447 -206106.2637 17845.0359 0.0000 0.0000 34168.0378 -149277.6139 298.3980 -183445.6517 -149177.4843 299.4242 -12.4008 18.1318 557975.2812 8.0451 8.0424 PRESSURE: 4748800 213.571 124.384 171.775 124.383 -20.8235 -67.2452 171.776 -67.2461 -109.623 GPRESSURE: 4748800 260.062 201.073 211.195 21.4503 -4.47892 -76.3615 224.141 -94.0933 -65.822 PRESSAVG: 4748800 25.3664 -18.6124 28.5146 -18.6125 -91.0928 -46.4979 28.5147 -46.4981 14.6551 GPRESSAVG: 4748800 25.5641 -19.5319 25.7498 -20.5509 -90.2814 -46.8175 28.31 -49.0253 13.9857 TIMING: 4748800 CPU: 14259.1, 0.00299939/step Wall: 14259.1, 0.00299939/step, 0.209291 hours remaining, 209.746094 MB of memory in use. ENERGY: 4748800 685.8770 2089.4776 1932.3579 117.9221 -206276.7282 17784.8649 0.0000 0.0000 34262.8175 -149403.4111 299.2257 -183666.2286 -149302.6649 298.7318 27.7081 63.2536 558189.3865 -17.0238 -16.9105 PRESSURE: 4749000 -20.1432 53.7027 -23.0864 53.7034 19.0605 -32.3928 -23.0882 -32.3938 -185.251 GPRESSURE: 4749000 25.6839 90.3578 -20.2409 116.658 -13.6814 -0.58277 -57.2423 -25.3931 -110.614 PRESSAVG: 4749000 18.9308 73.6459 -2.08425 73.6458 13.2749 -29.0591 -2.08423 -29.059 -22.255 GPRESSAVG: 4749000 18.5249 71.9524 -3.51654 74.8696 12.4113 -28.6621 -1.93106 -26.0338 -20.6278 TIMING: 4749000 CPU: 14259.7, 0.00299336/step Wall: 14259.7, 0.00299336/step, 0.208704 hours remaining, 209.746094 MB of memory in use. ENERGY: 4749000 752.0768 2082.5265 1947.9851 103.5096 -206367.9444 17909.2948 0.0000 0.0000 34263.0629 -149309.4888 299.2279 -183572.5516 -149214.4696 299.7025 -62.1114 -32.8706 557216.7345 3.3169 3.4361 PRESSURE: 4749200 -194.394 94.5633 -58.701 94.5626 -154.96 27.9325 -58.7014 27.9315 -183.791 GPRESSURE: 4749200 -185.658 107.005 -117.854 139.32 -116.947 53.2771 25.4297 -23.4575 -139.65 PRESSAVG: 4749200 -56.108 1.94036 1.21971 1.94031 59.798 -8.60599 1.21974 -8.60594 30.2841 GPRESSAVG: 4749200 -55.5445 3.06297 0.922215 3.58194 59.5957 -10.2468 2.30699 -7.43971 29.8168 TIMING: 4749200 CPU: 14260.3, 0.0029901/step Wall: 14260.3, 0.0029901/step, 0.208311 hours remaining, 209.816406 MB of memory in use. ENERGY: 4749200 743.9796 2105.6519 1946.9190 128.6332 -206002.3775 17405.7623 0.0000 0.0000 34383.9236 -149287.5078 300.2834 -183671.4314 -149195.1922 299.7376 -177.7150 -147.4184 556203.7084 11.3247 11.2893 PRESSURE: 4749400 94.3771 -109.119 65.1202 -109.119 73.1089 45.723 65.1204 45.7208 -46.0608 GPRESSURE: 4749400 155.209 -155.199 8.62543 -87.6733 107.08 -47.1883 22.0535 82.787 -40.2728 PRESSAVG: 4749400 -17.0325 44.1307 -14.7099 44.1306 -46.535 45.1413 -14.71 45.1413 29.7231 GPRESSAVG: 4749400 -17.1478 42.7611 -12.3208 42.9768 -46.3547 47.6727 -17.4903 43.7223 29.9777 TIMING: 4749400 CPU: 14260.9, 0.00294721/step Wall: 14260.9, 0.00294721/step, 0.205158 hours remaining, 209.816406 MB of memory in use. ENERGY: 4749400 739.3799 2053.2362 1943.4525 111.3532 -206096.0334 17690.4817 0.0000 0.0000 34256.7459 -149301.3839 299.1727 -183558.1298 -149201.4088 298.5678 40.4751 74.0055 556909.8523 -11.2815 -11.1749 PRESSURE: 4749600 -80.6521 46.2679 80.8401 46.2678 126.953 67.8273 80.8383 67.8263 329.523 GPRESSURE: 4749600 -54.8559 64.562 52.8729 115.87 193.499 37.4486 93.6775 -8.61817 342.899 PRESSAVG: 4749600 1.47148 -19.636 -49.1435 -19.636 54.3117 9.59087 -49.1436 9.5908 -25.9595 GPRESSAVG: 4749600 2.38624 -19.6915 -48.1849 -18.588 54.4725 8.0796 -47.9679 8.11825 -27.5832 TIMING: 4749600 CPU: 14261.5, 0.00294852/step Wall: 14261.5, 0.00294852/step, 0.205086 hours remaining, 209.816406 MB of memory in use. ENERGY: 4749600 724.4664 2096.8970 1930.6752 114.3576 -206321.1616 18088.3451 0.0000 0.0000 34024.7308 -149341.6895 297.1464 -183366.4204 -149245.1070 298.2211 125.2747 160.5143 557174.3080 9.9412 9.7585 PRESSURE: 4749800 -158.106 -7.58008 64.6233 -7.57964 -315.265 16.1011 64.6221 16.0999 -317.727 GPRESSURE: 4749800 -119.791 76.6799 3.42358 -11.2727 -209.991 72.6009 67.8164 -40.7276 -357.796 PRESSAVG: 4749800 28.2615 -9.40647 -37.8415 -9.40658 -20.9426 -20.0368 -37.8414 -20.0367 -34.5426 GPRESSAVG: 4749800 27.5163 -7.50521 -38.252 -10.73 -21.9869 -19.1064 -37.5674 -19.6734 -33.3264 TIMING: 4749800 CPU: 14262.1, 0.00294966/step Wall: 14262.1, 0.00294966/step, 0.205001 hours remaining, 209.816406 MB of memory in use. ENERGY: 4749800 766.2814 2054.1504 1927.2818 104.0126 -205864.1779 17497.7352 0.0000 0.0000 34141.6483 -149373.0682 298.1675 -183514.7165 -149282.5784 297.8458 -263.6992 -229.1927 557972.9961 -9.0746 -9.2656 PRESSURE: 4750000 23.2518 57.8333 -111.566 57.8336 285.964 14.1634 -111.566 14.1631 276.023 GPRESSURE: 4750000 61.2297 25.6159 -113.184 74.9403 374.022 12.5104 -86.1699 -61.0724 253.693 PRESSAVG: 4750000 35.5909 29.7149 -36.1817 29.7149 -4.6133 4.32751 -36.1817 4.32751 -56.8843 GPRESSAVG: 4750000 35.5738 28.4326 -37.0998 31.7955 -4.74911 5.02986 -37.2904 5.79772 -56.9902 TIMING: 4750000 CPU: 14262.7, 0.00295926/step Wall: 14262.7, 0.00295926/step, 0.205504 hours remaining, 209.816406 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: 4750000 768.5059 2043.4660 1920.4916 131.5516 -206554.8001 18213.3629 0.0000 0.0000 34276.7144 -149200.7077 299.3471 -183477.4221 -149105.3746 298.8648 195.0793 229.6483 557934.8647 -8.6355 -8.7218 PRESSURE: 4750200 -294.067 -73.8507 -65.1451 -73.8504 -159.455 -74.2273 -65.1456 -74.227 -108.098 GPRESSURE: 4750200 -274.734 -138.233 -117.592 3.80106 -155.025 33.1922 -111.745 -176.953 -31.9434 PRESSAVG: 4750200 28.2309 -30.8147 11.5737 -30.8148 -0.427129 -35.5911 11.5736 -35.5911 -35.2588 GPRESSAVG: 4750200 28.5477 -31.8729 12.8855 -31.0306 0.893493 -36.9423 11.0928 -36.2298 -36.1179 TIMING: 4750200 CPU: 14263.3, 0.00298561/step Wall: 14263.3, 0.00298561/step, 0.207168 hours remaining, 209.816406 MB of memory in use. ENERGY: 4750200 762.2759 2072.7315 1920.8348 125.7065 -205947.9060 17648.3612 0.0000 0.0000 34186.8286 -149231.1676 298.5621 -183417.9962 -149132.2416 298.8865 -187.2068 -153.9009 559067.3598 -2.4850 -2.2256 PRESSURE: 4750400 -371.118 8.88375 -177.418 8.88376 -87.603 -17.5989 -177.418 -17.6006 -85.6024 GPRESSURE: 4750400 -295.376 28.8685 -123.945 27.8285 -60.2581 -42.9447 -119.762 -33.3597 -85.3602 PRESSAVG: 4750400 -110.712 -26.406 -5.04255 -26.406 81.8484 -65.362 -5.04263 -65.3621 -31.9545 GPRESSAVG: 4750400 -111.464 -24.8347 -7.72477 -28.4583 82.6887 -63.3089 -4.5308 -65.7143 -31.8406 TIMING: 4750400 CPU: 14263.9, 0.00298032/step Wall: 14263.9, 0.00298032/step, 0.206636 hours remaining, 209.816406 MB of memory in use. ENERGY: 4750400 780.6085 2123.0560 1949.2266 109.5824 -206055.7743 17654.3525 0.0000 0.0000 34150.7304 -149288.2180 298.2468 -183438.9484 -149188.3463 298.5418 -181.4410 -146.9982 557659.3936 -20.2728 -20.2052 PRESSURE: 4750600 48.0165 -65.5177 -152.472 -65.5178 87.0771 80.4741 -152.472 80.4735 27.3821 GPRESSURE: 4750600 74.3645 17.3913 -101.544 -98.7092 122.697 110.938 -136.097 92.993 64.3898 PRESSAVG: 4750600 36.6653 -4.18528 -15.3657 -4.18536 23.865 -27.6648 -15.3656 -27.6648 -23.5703 GPRESSAVG: 4750600 37.4767 -1.64422 -14.3066 -2.93441 21.8663 -27.61 -12.6171 -27.0422 -22.321 TIMING: 4750600 CPU: 14264.5, 0.00299197/step Wall: 14264.5, 0.00299197/step, 0.207277 hours remaining, 209.816406 MB of memory in use. ENERGY: 4750600 727.8648 2099.0551 1922.4371 117.3697 -206310.1513 17867.0265 0.0000 0.0000 34272.6629 -149303.7352 299.3117 -183576.3981 -149213.5489 299.1283 54.1586 87.1504 556911.9021 12.3200 12.3406 PRESSURE: 4750800 -428.383 121.983 4.50385 121.984 -5.13446 -17.6935 4.50345 -17.6938 38.919 GPRESSURE: 4750800 -393.281 175.133 -59.4157 130.107 -13.4249 -104.115 60.6275 39.2496 115.222 PRESSAVG: 4750800 -61.9436 32.0151 -51.7924 32.0152 -2.07356 -39.3411 -51.7925 -39.3411 29.9374 GPRESSAVG: 4750800 -62.7454 29.8133 -53.0295 31.9195 -0.432722 -41.7319 -52.618 -37.6903 29.4292 TIMING: 4750800 CPU: 14265.1, 0.00295629/step Wall: 14265.1, 0.00295629/step, 0.204641 hours remaining, 209.816406 MB of memory in use. ENERGY: 4750800 729.6993 2146.0020 1936.3402 117.1514 -205669.6445 17443.3492 0.0000 0.0000 34090.5567 -149206.5457 297.7213 -183297.1023 -149114.6766 299.3104 -131.5329 -97.1610 558281.7169 -11.3599 -11.2496 PRESSURE: 4751000 -130.603 6.23634 42.6143 6.23586 240.813 -20.8644 42.6137 -20.8639 -161.088 GPRESSURE: 4751000 -53.8415 47.8642 23.9314 -16.1784 268.256 -32.2769 80.205 34.0436 -168.701 PRESSAVG: 4751000 -65.1085 47.6481 22.8142 47.648 97.9259 -6.83156 22.8142 -6.83155 -29.1087 GPRESSAVG: 4751000 -64.4425 49.1577 24.527 48.0568 96.73 -5.47834 21.9169 -6.7436 -28.7336 TIMING: 4751000 CPU: 14265.7, 0.00298006/step Wall: 14265.7, 0.00298006/step, 0.206121 hours remaining, 209.816406 MB of memory in use. ENERGY: 4751000 752.0304 2135.8837 1929.4486 105.9371 -206376.4278 17973.3308 0.0000 0.0000 33985.3556 -149494.4417 296.8026 -183479.7973 -149401.0801 298.2739 -16.9593 15.2381 557282.5617 1.2362 1.1846 PRESSURE: 4751200 -223.197 -25.4831 48.9755 -25.4831 -41.0729 31.6302 48.9758 31.6309 -217.219 GPRESSURE: 4751200 -172.807 -23.0521 18.0443 -46.2895 -23.8661 54.0662 24.6953 -26.5621 -181.69 PRESSAVG: 4751200 44.4566 -1.72621 2.97794 -1.72628 35.955 -23.878 2.97788 -23.8779 -45.5456 GPRESSAVG: 4751200 43.48 -3.30235 3.49651 0.541252 36.1393 -26.9832 1.36821 -25.5942 -45.4596 TIMING: 4751200 CPU: 14266.3, 0.00294895/step Wall: 14266.3, 0.00294895/step, 0.203805 hours remaining, 209.816406 MB of memory in use. ENERGY: 4751200 759.6746 2098.9098 1923.5791 120.7969 -206164.2459 17636.9344 0.0000 0.0000 34124.4007 -149499.9503 298.0169 -183624.3510 -149407.1051 298.7344 -160.4963 -126.1211 557873.3043 11.6220 11.3866 PRESSURE: 4751400 -289.002 124.939 16.6521 124.94 -332.537 -76.6207 16.6516 -76.6207 -185.317 GPRESSURE: 4751400 -233.431 90.5163 48.18 166.694 -316.667 -105.687 -5.634 -98.6357 -160.915 PRESSAVG: 4751400 -91.2908 3.55086 6.83095 3.55089 32.138 -56.4909 6.831 -56.4909 54.9744 GPRESSAVG: 4751400 -90.8387 4.63031 6.86551 2.11622 32.8821 -53.7691 7.33619 -56.4953 53.9777 TIMING: 4751400 CPU: 14266.9, 0.00298327/step Wall: 14266.9, 0.00298327/step, 0.206011 hours remaining, 209.816406 MB of memory in use. ENERGY: 4751400 783.9913 2071.8888 1943.2193 117.4105 -206043.7975 17426.0519 0.0000 0.0000 34375.6246 -149325.6111 300.2109 -183701.2357 -149226.9426 298.7652 -268.9522 -237.0046 556939.0037 -1.3928 -1.3263 PRESSURE: 4751600 32.7229 100.427 34.4273 100.428 114.208 -21.3362 34.4277 -21.3345 -98.8545 GPRESSURE: 4751600 35.69 63.8994 15.2466 36.8927 169.664 -21.6547 25.3817 -30.6001 -51.8211 PRESSAVG: 4751600 54.6472 26.4763 -48.3504 26.4763 -76.8971 18.0349 -48.3504 18.035 19.7349 GPRESSAVG: 4751600 54.2901 27.0643 -50.7974 24.5157 -76.9263 18.8501 -47.0621 18.4616 20.2541 TIMING: 4751600 CPU: 14267.5, 0.00295866/step Wall: 14267.5, 0.00295866/step, 0.204148 hours remaining, 209.816406 MB of memory in use. ENERGY: 4751600 752.0269 2088.8056 1943.8033 116.8115 -206420.4330 17940.9029 0.0000 0.0000 34051.5892 -149526.4936 297.3810 -183578.0828 -149427.0760 299.0529 16.0255 51.1776 554538.7553 -0.8383 -0.7940 PRESSURE: 4751800 26.7173 -115.076 102.946 -115.076 100.44 -206.245 102.946 -206.245 126.394 GPRESSURE: 4751800 113.708 -46.5304 67.0069 -205.726 133.722 -247.481 32.6497 -174.035 109.541 PRESSAVG: 4751800 79.1219 -18.1697 26.4112 -18.1695 -51.8502 -7.12575 26.4111 -7.12565 12.6833 GPRESSAVG: 4751800 78.5855 -19.3039 26.7281 -16.43 -51.4315 -8.47362 25.5999 -7.61267 12.8235 TIMING: 4751800 CPU: 14268.1, 0.00297632/step Wall: 14268.1, 0.00297632/step, 0.205201 hours remaining, 209.816406 MB of memory in use. ENERGY: 4751800 748.7990 2070.7184 1964.3716 110.1230 -206626.4412 18035.1931 0.0000 0.0000 34192.7927 -149504.4434 298.6142 -183697.2360 -149404.7377 297.9969 84.5168 118.9906 556661.0943 13.3184 13.3258 PRESSURE: 4752000 -120.197 50.246 116.28 50.2452 15.9358 25.794 116.28 25.7941 -82.3445 GPRESSURE: 4752000 -115.749 73.755 181.367 54.2063 90.4168 22.2724 149.58 89.7555 -56.1137 PRESSAVG: 4752000 16.9069 -3.701 6.13023 -3.70104 2.04677 43.2526 6.13012 43.2527 -6.90891 GPRESSAVG: 4752000 16.2324 -5.96481 7.71565 -2.3455 2.30431 42.1385 5.67449 45.074 -6.13755 TIMING: 4752000 CPU: 14268.6, 0.00292504/step Wall: 14268.6, 0.00292504/step, 0.201503 hours remaining, 209.816406 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: 4752000 741.8790 2083.0736 1948.6263 103.6775 -206432.6800 17847.2415 0.0000 0.0000 34160.1559 -149548.0262 298.3291 -183708.1821 -149456.4179 298.8497 -62.2019 -27.1487 557880.6426 4.0149 4.1330 PRESSURE: 4752200 -72.6581 198.915 7.54887 198.915 41.6656 134.716 7.54978 134.715 41.9166 GPRESSURE: 4752200 13.1341 127.727 25.9236 120.626 42.115 139.168 -29.6836 105.133 52.7385 PRESSAVG: 4752200 21.5013 7.34798 18.9393 7.34793 -35.3594 -11.3564 18.9394 -11.3565 -28.0539 GPRESSAVG: 4752200 23.398 7.19591 17.7242 6.19266 -35.7538 -9.53483 19.6989 -13.2392 -29.0545 TIMING: 4752200 CPU: 14269.2, 0.0029408/step Wall: 14269.2, 0.0029408/step, 0.202425 hours remaining, 210.019531 MB of memory in use. ENERGY: 4752200 774.6343 2051.0326 1963.0444 104.8185 -206792.4712 17917.0144 0.0000 0.0000 34293.2155 -149688.7117 299.4912 -183981.9271 -149592.0532 298.6121 3.6414 35.9959 556433.7197 -13.9707 -13.8034 LDB: ============= START OF LOAD BALANCING ============== 14272.7 LDB: ============== END OF LOAD BALANCING =============== 14272.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14272.7 LDB: ============= START OF LOAD BALANCING ============== 14273 LDB: Largest compute 4773 load 0.025390 is 21.5% of average load 0.118304 LDB: Average compute 0.001721 is 1.5% of average load 0.118304 LDB: TIME 14273 LOAD: AVG 0.118304 MAX 0.213974 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.039 MB LDB: TIME 14273 LOAD: AVG 0.118304 MAX 0.213974 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.094 MB LDB: TIME 14273 LOAD: AVG 0.118304 MAX 0.213974 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.094 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14273 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14273.1 PRESSURE: 4752400 72.4938 -131.841 -22.5345 -131.84 -112.973 -59.7056 -22.534 -59.7057 -301.014 GPRESSURE: 4752400 124.6 -69.6818 -9.31996 -89.37 -103.594 -110.686 -37.7473 -52.3565 -267.271 PRESSAVG: 4752400 9.37066 18.4415 -35.0167 18.4414 16.4781 17.0428 -35.0168 17.0427 -26.9741 GPRESSAVG: 4752400 8.59418 19.4198 -35.4089 18.4586 16.6777 16.8483 -36.8893 18.0627 -26.0748 TIMING: 4752400 CPU: 14269.8, 0.00303916/step Wall: 14269.8, 0.00303916/step, 0.209027 hours remaining, 208.425781 MB of memory in use. ENERGY: 4752400 810.5602 2059.2631 1924.7790 117.1010 -206631.0203 17948.9169 0.0000 0.0000 33950.9406 -149819.4595 296.5020 -183770.4002 -149729.0949 298.0300 -113.8309 -82.0884 557131.0435 -0.3751 -0.2676 PRESSURE: 4752600 -185.851 -241.479 8.80354 -241.479 -35.0004 173.06 8.80458 173.059 -422.347 GPRESSURE: 4752600 -122.388 -314.359 54.6951 -144.536 -97.4038 113.668 39.5696 165.264 -318.788 PRESSAVG: 4752600 42.0211 -77.7722 29.4874 -77.7722 11.404 -32.9195 29.4874 -32.9194 -39.0974 GPRESSAVG: 4752600 42.2276 -76.8512 30.0332 -77.1399 10.6171 -34.1082 32.4851 -32.9053 -39.2271 TIMING: 4752600 CPU: 14270.4, 0.00297225/step Wall: 14270.4, 0.00297225/step, 0.20426 hours remaining, 208.628906 MB of memory in use. ENERGY: 4752600 747.0666 2055.8025 1927.2492 113.8899 -206121.4244 17607.3879 0.0000 0.0000 33980.7944 -149689.2338 296.7627 -183670.0283 -149591.4226 297.4840 -214.3994 -179.5267 558342.2776 4.7759 4.5392 PRESSURE: 4752800 -207.277 120.948 -91.0177 120.947 29.6958 96.2856 -91.017 96.2851 -46.816 GPRESSURE: 4752800 -144.316 79.1048 -135.709 165.865 27.4228 124.265 -76.0384 157.225 -9.24419 PRESSAVG: 4752800 -32.8154 5.94982 -12.6365 5.94973 60.8393 44.7101 -12.6366 44.7101 -16.3044 GPRESSAVG: 4752800 -32.4916 4.42531 -10.8665 5.11085 61.6356 44.715 -15.5933 44.09 -16.9029 TIMING: 4752800 CPU: 14271, 0.00295834/step Wall: 14271, 0.00295834/step, 0.203139 hours remaining, 208.628906 MB of memory in use. ENERGY: 4752800 710.9496 2117.2847 1964.9727 108.9160 -206470.3331 17848.5844 0.0000 0.0000 34079.2484 -149640.3773 297.6226 -183719.6257 -149544.0953 297.5629 -74.7991 -42.0459 557725.6833 3.9065 4.0804 PRESSURE: 4753000 117.162 -99.8276 -58.2155 -99.8293 96.6561 81.556 -58.2153 81.5561 -66.5768 GPRESSURE: 4753000 153.124 -115.346 -122.18 -52.5506 98.1396 140.054 -64.2448 44.4719 -12.6568 PRESSAVG: 4753000 62.5069 10.8645 -2.33612 10.8644 -7.86001 45.2857 -2.33622 45.2858 -32.9924 GPRESSAVG: 4753000 63.4379 10.6597 -3.97409 10.1506 -9.84522 44.9595 -0.319547 46.3818 -32.1249 TIMING: 4753000 CPU: 14271.6, 0.00295746/step Wall: 14271.6, 0.00295746/step, 0.202914 hours remaining, 208.628906 MB of memory in use. ENERGY: 4753000 743.8655 2063.9492 1944.8456 103.6446 -206507.4562 18049.1858 0.0000 0.0000 34142.1255 -149459.8400 298.1717 -183601.9655 -149372.0216 298.5862 49.0804 79.5355 555912.4553 7.2182 7.1559 PRESSURE: 4753200 46.8032 -116.851 40.4599 -116.852 -9.95809 -123.925 40.4599 -123.926 119.016 GPRESSURE: 4753200 95.9422 -97.8396 54.5225 -101.016 -21.9706 -148.877 38.0554 -46.3897 179.661 PRESSAVG: 4753200 4.0721 -25.8381 35.2483 -25.838 9.15527 -71.8809 35.2483 -71.881 -5.7222 GPRESSAVG: 4753200 2.55462 -24.8181 34.7144 -25.7842 10.0565 -71.6957 34.7938 -71.2395 -5.4336 TIMING: 4753200 CPU: 14272.2, 0.00296658/step Wall: 14272.2, 0.00296658/step, 0.203376 hours remaining, 208.628906 MB of memory in use. ENERGY: 4753200 742.1875 2117.7947 1950.4190 118.0585 -206229.4938 17805.5376 0.0000 0.0000 34188.7077 -149306.7889 298.5785 -183495.4966 -149208.8115 298.7812 51.9536 84.5444 556516.8770 2.5017 2.3925 PRESSURE: 4753400 213.435 -199.691 52.1326 -199.693 425.212 -66.5695 52.1323 -66.5682 4.30947 GPRESSURE: 4753400 303.431 -232.294 61.7695 -148.776 410.419 -26.2683 43.8948 -101.464 17.0594 PRESSAVG: 4753400 64.8193 -6.88766 44.9799 -6.88765 -6.73403 -8.92977 44.98 -8.92966 -31.132 GPRESSAVG: 4753400 66.6684 -9.72362 46.4113 -5.77227 -7.69564 -9.69362 44.714 -10.0277 -32.2555 TIMING: 4753400 CPU: 14272.8, 0.0030022/step Wall: 14272.8, 0.0030022/step, 0.205651 hours remaining, 208.628906 MB of memory in use. ENERGY: 4753400 737.3519 2082.9780 1950.7316 131.5044 -206274.7242 18012.8283 0.0000 0.0000 34095.7474 -149263.5826 297.7666 -183359.3300 -149175.3046 298.8939 214.3188 243.6365 556583.0204 8.9844 8.9058 PRESSURE: 4753600 21.3846 64.0833 45.5568 64.0826 -166.084 -178.982 45.5565 -178.981 477.429 GPRESSURE: 4753600 60.0299 128.012 100.845 -45.6894 -138.677 -166.772 70.4332 -138.506 525.879 PRESSAVG: 4753600 -18.0706 -10.0717 -8.86373 -10.0717 -3.63705 -27.474 -8.86374 -27.4739 -8.29599 GPRESSAVG: 4753600 -16.71 -6.62047 -7.71097 -12.9961 -4.50441 -25.5654 -10.4052 -28.9616 -8.525 TIMING: 4753600 CPU: 14273.4, 0.00298586/step Wall: 14273.4, 0.00298586/step, 0.204365 hours remaining, 208.628906 MB of memory in use. ENERGY: 4753600 771.7441 2156.0851 1926.9760 106.4707 -206323.9442 17804.8950 0.0000 0.0000 34273.7984 -149283.9750 299.3216 -183557.7734 -149195.0172 299.0690 110.9099 149.0770 554914.6139 -10.0012 -9.9131 PRESSURE: 4753800 -62.9186 39.0021 171.79 39.0023 -177.042 12.3452 171.789 12.3449 -197.824 GPRESSURE: 4753800 -7.51908 -13.9836 113.868 15.6926 -179.565 76.5452 141.706 141.351 -168.197 PRESSAVG: 4753800 -4.89763 16.0383 71.7396 16.0383 52.4576 -21.427 71.7398 -21.4268 -22.0802 GPRESSAVG: 4753800 -6.54564 15.2858 70.9123 17.4363 53.6431 -23.6386 74.2302 -20.6658 -21.2532 TIMING: 4753800 CPU: 14274, 0.00300643/step Wall: 14274, 0.00300643/step, 0.205606 hours remaining, 208.628906 MB of memory in use. ENERGY: 4753800 780.8423 2119.9061 1917.5379 120.1388 -205696.0632 17425.4849 0.0000 0.0000 34279.5697 -149052.5834 299.3720 -183332.1532 -148954.9763 299.4628 -145.9282 -118.4269 554862.6870 8.4933 8.6148 PRESSURE: 4754000 -195.577 39.8977 81.4783 39.8982 92.7925 -165.273 81.4767 -165.274 -81.2431 GPRESSURE: 4754000 -135.765 8.52608 173.872 1.35147 123.349 -199.728 59.2873 -137.865 -60.0728 PRESSAVG: 4754000 17.3939 11.8753 53.44 11.8754 66.9881 -42.9883 53.4399 -42.9883 -49.7386 GPRESSAVG: 4754000 18.2628 10.6293 54.291 11.6556 66.2117 -41.3057 50.9201 -43.7346 -49.5175 TIMING: 4754000 CPU: 14274.6, 0.00299006/step Wall: 14274.6, 0.00299006/step, 0.20432 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: 4754000 752.6805 2121.8474 1947.7188 95.4618 -205870.8129 17584.6853 0.0000 0.0000 34385.0316 -148983.3875 300.2930 -183368.4191 -148890.8356 300.0012 -61.3425 -24.1630 556859.7883 11.5478 11.6523 PRESSURE: 4754200 -17.3749 90.4336 -35.5724 90.4335 -52.585 -165.148 -35.5725 -165.148 349.866 GPRESSURE: 4754200 15.133 90.5437 -12.6132 111.313 -60.3022 -251.12 -11.0407 -125.914 436.361 PRESSAVG: 4754200 75.7872 23.5789 32.4893 23.579 -106.831 12.6284 32.4892 12.6284 38.2774 GPRESSAVG: 4754200 75.6287 24.0069 31.2308 23.4002 -106.507 12.6007 34.8756 12.3638 37.5817 TIMING: 4754200 CPU: 14275.2, 0.00298646/step Wall: 14275.2, 0.00298646/step, 0.203909 hours remaining, 208.628906 MB of memory in use. ENERGY: 4754200 782.0471 2070.8364 1943.5637 118.9982 -206186.4297 17846.3355 0.0000 0.0000 34303.4939 -149121.1548 299.5809 -183424.6487 -149029.5306 299.8908 93.3021 130.3971 556513.3847 2.4112 2.2344 PRESSURE: 4754400 -295.053 -55.6405 86.7533 -55.6407 -189.612 -188.036 86.7534 -188.038 -85.4982 GPRESSURE: 4754400 -231.965 -135.457 -73.6352 -74.0934 -137.762 -169.256 154.49 -88.5686 -106.998 PRESSAVG: 4754400 25.9438 62.808 28.9309 62.808 11.4181 -50.7608 28.931 -50.7609 -37.1223 GPRESSAVG: 4754400 24.8398 63.5189 29.8072 60.9918 10.8563 -50.5218 28.2293 -48.8837 -35.8178 TIMING: 4754400 CPU: 14275.8, 0.00299472/step Wall: 14275.8, 0.00299472/step, 0.204306 hours remaining, 208.628906 MB of memory in use. ENERGY: 4754400 742.6194 2090.2503 1944.7129 117.1006 -205833.9078 17485.1887 0.0000 0.0000 34330.9969 -149123.0390 299.8211 -183454.0358 -149029.2238 299.4845 -190.0544 -158.9084 558091.3001 0.0798 -0.0406 PRESSURE: 4754600 3.81151 60.1934 -44.9328 60.1928 123.383 -143.099 -44.932 -143.098 75.7969 GPRESSURE: 4754600 9.26723 16.1301 39.4719 6.48937 188.571 -104.381 -55.7737 -194.415 105.127 PRESSAVG: 4754600 32.9102 -33.3039 -15.6559 -33.3039 58.3977 -26.6495 -15.656 -26.6494 -65.0606 GPRESSAVG: 4754600 33.3661 -34.8037 -15.6493 -32.0146 57.9545 -26.5619 -16.4799 -28.7421 -64.5996 TIMING: 4754600 CPU: 14276.4, 0.00300089/step Wall: 14276.4, 0.00300089/step, 0.20456 hours remaining, 208.628906 MB of memory in use. ENERGY: 4754600 746.5793 2093.1388 1918.2654 122.3394 -206014.9851 17723.1261 0.0000 0.0000 34295.1435 -149116.3926 299.5080 -183411.5362 -149024.3059 299.5650 67.6639 100.9885 556773.1958 8.7491 8.9070 PRESSURE: 4754800 -221.63 -98.5257 -26.577 -98.5267 18.6936 41.8479 -26.576 41.8472 200.874 GPRESSURE: 4754800 -226.721 -72.5364 43.16 -145.41 113.234 -54.4491 -83.2602 134.16 206.249 PRESSAVG: 4754800 -7.45239 8.85502 -9.21066 8.85506 -16.124 -12.343 -9.21064 -12.343 -15.9641 GPRESSAVG: 4754800 -7.35356 11.7668 -10.5505 6.5957 -15.3586 -12.9547 -8.71522 -9.84771 -16.797 TIMING: 4754800 CPU: 14277, 0.00297949/step Wall: 14277, 0.00297949/step, 0.202936 hours remaining, 208.628906 MB of memory in use. ENERGY: 4754800 771.8559 2071.2826 1942.6045 111.5731 -206403.5875 17918.5281 0.0000 0.0000 34283.5502 -149304.1931 299.4068 -183587.7433 -149211.7279 299.4251 -0.6875 30.9208 557251.2886 -13.1802 -13.1697 PRESSURE: 4755000 -16.2178 14.5185 16.3268 14.5196 -23.1015 -75.8196 16.3258 -75.8209 40.1138 GPRESSURE: 4755000 21.8424 73.1467 30.7756 15.471 20.4281 -93.2083 48.1254 -172.194 41.6915 PRESSAVG: 4755000 -22.661 -5.9098 -1.27107 -5.90969 50.9057 10.787 -1.27106 10.787 15.1651 GPRESSAVG: 4755000 -23.4955 -6.11034 -1.53757 -5.25953 51.93 12.5661 -2.58067 7.85534 15.0453 TIMING: 4755000 CPU: 14277.6, 0.00294333/step Wall: 14277.6, 0.00294333/step, 0.20031 hours remaining, 208.628906 MB of memory in use. ENERGY: 4755000 750.6356 2108.2202 1942.4850 121.6479 -206635.0567 17969.8302 0.0000 0.0000 34223.9630 -149518.2749 298.8864 -183742.2379 -149420.3269 299.1158 0.2648 27.9873 557955.4171 14.4699 14.4932 PRESSURE: 4755200 39.6095 -123.467 87.1507 -123.469 98.5321 -191.632 87.1518 -191.633 11.7778 GPRESSURE: 4755200 133.134 -23.0268 82.6162 -161.638 121.176 -176.828 123.488 -137.518 -22.135 PRESSAVG: 4755200 12.6497 -5.44985 48.469 -5.44997 22.9997 0.393331 48.4689 0.393218 -14.7471 GPRESSAVG: 4755200 13.5926 -6.96238 46.9834 -4.41403 21.3942 -1.61438 50.4115 2.31156 -14.5615 TIMING: 4755200 CPU: 14278.2, 0.00299127/step Wall: 14278.2, 0.00299127/step, 0.203407 hours remaining, 208.628906 MB of memory in use. ENERGY: 4755200 728.2423 2096.0220 1935.8658 131.2516 -206305.3632 17857.5897 0.0000 0.0000 34114.5514 -149441.8402 297.9309 -183556.3916 -149347.5400 298.4052 49.9731 77.3914 557053.5022 6.9674 6.8084 PRESSURE: 4755400 143.906 -113.382 130.593 -113.38 280.367 120.722 130.592 120.722 -1.04219 GPRESSURE: 4755400 210.112 -194.274 34.0224 -150.165 301.681 134.723 181.786 40.6161 26.4278 PRESSAVG: 4755400 14.0826 6.19191 36.2555 6.19198 42.8386 17.7159 36.2555 17.7158 -26.3742 GPRESSAVG: 4755400 12.4803 4.18097 39.2788 5.96483 43.2936 18.0034 35.2855 16.2677 -25.5881 TIMING: 4755400 CPU: 14278.8, 0.00294046/step Wall: 14278.8, 0.00294046/step, 0.199788 hours remaining, 208.628906 MB of memory in use. ENERGY: 4755400 728.7980 2127.1838 1925.2890 110.5554 -206563.7858 18180.6226 0.0000 0.0000 34272.9408 -149218.3961 299.3141 -183491.3370 -149125.3230 299.3069 141.0772 179.4068 557578.7658 10.1823 10.0619 PRESSURE: 4755600 -205.657 -145.109 -95.0973 -145.109 100.017 -48.1877 -95.0967 -48.188 311.435 GPRESSURE: 4755600 -124.657 -112.993 -137.745 -185.994 64.4513 -70.8884 -67.3379 9.01906 365.529 PRESSAVG: 4755600 -37.9274 -14.6298 -12.2801 -14.6298 -21.0622 -43.1125 -12.2801 -43.1125 51.9247 GPRESSAVG: 4755600 -36.3749 -13.8984 -13.8647 -12.8941 -21.7624 -41.4499 -11.7279 -45.2585 51.7069 TIMING: 4755600 CPU: 14279.4, 0.0029414/step Wall: 14279.4, 0.0029414/step, 0.199688 hours remaining, 208.628906 MB of memory in use. ENERGY: 4755600 776.4392 2113.3901 1926.3256 124.2369 -206512.5286 18076.7046 0.0000 0.0000 34420.9425 -149074.4898 300.6067 -183495.4323 -148974.0089 299.2552 68.5985 101.7745 557942.9448 -2.3550 -2.1435 PRESSURE: 4755800 -150.531 -149.281 -27.6101 -149.281 -139.491 -63.2306 -27.6117 -63.2313 40.4941 GPRESSURE: 4755800 -169.474 -167.351 30.7478 -156.188 -93.5308 -124.735 27.4914 -29.0167 103.67 PRESSAVG: 4755800 -23.7568 27.7583 8.56137 27.7584 -0.677466 -23.0261 8.56135 -23.0261 29.4508 GPRESSAVG: 4755800 -24.3961 26.9384 7.84854 28.5372 -0.202706 -25.6387 10.6753 -19.279 28.7716 TIMING: 4755800 CPU: 14280, 0.00298676/step Wall: 14280, 0.00298676/step, 0.202602 hours remaining, 208.628906 MB of memory in use. ENERGY: 4755800 738.3048 2127.8803 1918.2044 97.5439 -206053.2144 17643.9332 0.0000 0.0000 34272.4655 -149254.8824 299.3100 -183527.3479 -149162.6886 299.3801 -83.1760 -53.1116 558283.2194 1.6722 1.3909 PRESSURE: 4756000 174.075 -106.961 -49.6294 -106.96 218.088 -52.3605 -49.629 -52.3609 184.259 GPRESSURE: 4756000 228.33 -37.2167 2.40083 -171.825 219.144 -72.4581 -85.9131 -77.6791 218.049 PRESSAVG: 4756000 -20.2321 -55.7801 -21.2042 -55.7801 14.6584 42.972 -21.2041 42.9719 -10.0789 GPRESSAVG: 4756000 -19.9903 -53.8724 -18.8567 -57.8037 13.2343 43.9833 -24.4978 42.4168 -9.41798 TIMING: 4756000 CPU: 14280.6, 0.00299127/step Wall: 14280.6, 0.00299127/step, 0.202742 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: 4756000 705.8861 2118.7540 1932.0683 103.2230 -206548.9627 18139.0255 0.0000 0.0000 34302.1059 -149247.9000 299.5688 -183550.0059 -149147.0116 299.3685 192.1404 221.8407 557676.2476 -5.2175 -5.3913 PRESSURE: 4756200 59.0319 160.973 88.9841 160.972 9.78265 -45.4228 88.984 -45.4223 122.287 GPRESSURE: 4756200 77.8973 18.2132 88.7951 208.945 48.6397 -7.31634 43.5851 -78.8282 166.71 PRESSAVG: 4756200 2.0927 -27.3671 -12.1198 -27.3671 20.3717 -19.4182 -12.1198 -19.4182 -30.0029 GPRESSAVG: 4756200 1.91484 -29.6356 -14.7125 -26.4488 20.9664 -18.9633 -9.8155 -18.9795 -30.3494 TIMING: 4756200 CPU: 14281.1, 0.00295039/step Wall: 14281.1, 0.00295039/step, 0.199807 hours remaining, 208.628906 MB of memory in use. ENERGY: 4756200 729.0663 2162.1278 1942.1942 110.7460 -206429.3915 17826.5522 0.0000 0.0000 34302.2781 -149356.4269 299.5703 -183658.7051 -149267.7580 299.2365 63.7007 97.7490 556718.1801 -2.5128 -2.4894 LDB: ============= START OF LOAD BALANCING ============== 14284.7 LDB: ============== END OF LOAD BALANCING =============== 14284.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14284.7 LDB: ============= START OF LOAD BALANCING ============== 14285 LDB: Largest compute 4774 load 0.025488 is 21.6% of average load 0.118229 LDB: Average compute 0.001728 is 1.5% of average load 0.118229 LDB: TIME 14285 LOAD: AVG 0.118229 MAX 0.219114 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.746 MB LDB: TIME 14285 LOAD: AVG 0.118229 MAX 0.219114 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.98 MB LDB: TIME 14285 LOAD: AVG 0.118229 MAX 0.219114 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.98 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14285 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14285 PRESSURE: 4756400 96.8079 132.889 -133.284 132.888 99.2888 -77.306 -133.284 -77.3057 -143.642 GPRESSURE: 4756400 183.564 109.247 -167.152 144.344 116.605 -131.439 -38.3505 -25.5224 -146.779 PRESSAVG: 4756400 -60.0105 65.5855 -27.674 65.5854 37.2295 -12.9834 -27.674 -12.9833 -1.93551 GPRESSAVG: 4756400 -59.9249 68.2942 -26.8655 63.9121 38.0461 -14.2306 -27.6052 -10.6116 -2.52513 TIMING: 4756400 CPU: 14281.8, 0.00305839/step Wall: 14281.8, 0.00305839/step, 0.206951 hours remaining, 209.542969 MB of memory in use. ENERGY: 4756400 729.7793 2096.4903 1942.6457 108.2984 -206493.1111 17810.6576 0.0000 0.0000 34545.3967 -149259.8430 301.6935 -183805.2397 -149171.1759 299.3298 17.4849 51.1300 557052.8083 -8.2388 -8.1346 PRESSURE: 4756600 -30.1855 -42.2793 100.524 -42.2785 -268.688 35.3866 100.522 35.3874 -337.137 GPRESSURE: 4756600 -11.3661 22.9007 67.4795 -70.1135 -218.469 34.5557 8.54477 44.486 -316.96 PRESSAVG: 4756600 70.0399 3.60937 -31.2719 3.60948 8.13517 0.440994 -31.2718 0.441182 -21.0442 GPRESSAVG: 4756600 70.2172 2.56354 -30.832 3.50518 8.38013 2.60211 -33.4244 -2.73772 -21.9343 TIMING: 4756600 CPU: 14282.4, 0.00298098/step Wall: 14282.4, 0.00298098/step, 0.201547 hours remaining, 210.003906 MB of memory in use. ENERGY: 4756600 809.5282 2016.6268 1958.7761 124.9615 -206255.7187 17668.7357 0.0000 0.0000 34435.0910 -149241.9995 300.7302 -183677.0905 -149140.8628 299.1331 -212.0036 -182.2651 558474.7119 19.0436 18.8877 PRESSURE: 4756800 39.3568 -126.2 203.771 -126.201 16.1375 -66.2639 203.77 -66.264 15.1984 GPRESSURE: 4756800 91.1937 -147.095 168.727 -104.397 -5.11919 -135.709 141.898 -10.6787 92.9714 PRESSAVG: 4756800 18.4591 -5.21617 9.61087 -5.21623 6.09129 -23.7862 9.61087 -23.7864 -55.459 GPRESSAVG: 4756800 18.0065 -6.22166 9.87373 -3.99635 4.98803 -23.7347 11.4342 -24.3597 -52.9901 TIMING: 4756800 CPU: 14282.9, 0.00297596/step Wall: 14282.9, 0.00297596/step, 0.201043 hours remaining, 210.003906 MB of memory in use. ENERGY: 4756800 727.7143 2100.0391 1916.8872 117.4714 -206244.2859 17842.6661 0.0000 0.0000 34321.7134 -149217.7944 299.7401 -183539.5078 -149125.7647 299.2126 23.5642 59.6820 559639.2819 -10.3029 -9.9985 PRESSURE: 4757000 -199.05 103.137 -2.57555 103.135 -115.596 113.07 -2.57624 113.069 -118.463 GPRESSURE: 4757000 -159.624 61.8756 -27.3749 89.3102 -75.5737 121.685 52.2616 162.584 -103.46 PRESSAVG: 4757000 -56.8241 18.6701 5.27565 18.6701 7.88335 19.6565 5.27574 19.6566 28.074 GPRESSAVG: 4757000 -56.0783 20.0783 6.96164 18.4392 8.83849 19.4679 3.31605 21.3048 26.2255 TIMING: 4757000 CPU: 14283.5, 0.00298143/step Wall: 14283.5, 0.00298143/step, 0.201246 hours remaining, 210.003906 MB of memory in use. ENERGY: 4757000 741.3567 2113.3797 1953.6931 114.7049 -205894.9631 17505.4136 0.0000 0.0000 34248.0368 -149218.3783 299.0966 -183466.4151 -149119.2900 299.2675 -144.3697 -112.8860 558699.7653 -6.9556 -7.0048 PRESSURE: 4757200 14.1076 -5.08529 34.5037 -5.08544 27.6317 -16.411 34.504 -16.4123 23.6812 GPRESSURE: 4757200 63.5622 50.269 107.862 23.9261 4.85824 -13.7535 39.3058 -9.19888 92.6078 PRESSAVG: 4757200 -20.5248 60.3205 -38.1835 60.3205 16.731 17.4402 -38.1835 17.4402 6.12709 GPRESSAVG: 4757200 -21.0638 60.2858 -39.6988 59.5866 16.5528 15.8355 -38.3587 16.7702 6.81821 TIMING: 4757200 CPU: 14284.1, 0.00296996/step Wall: 14284.1, 0.00296996/step, 0.200308 hours remaining, 210.003906 MB of memory in use. ENERGY: 4757200 765.5917 2156.7278 1911.7422 116.3187 -206406.4387 17846.1708 0.0000 0.0000 34259.2580 -149350.6295 299.1946 -183609.8875 -149251.4371 298.4625 21.8068 53.6761 557120.0704 0.7778 0.7691 PRESSURE: 4757400 -44.3841 91.9265 18.1002 91.9255 -73.6659 -39.4835 18.1 -39.4855 -176.749 GPRESSURE: 4757400 16.3651 167.099 25.6758 32.7045 -47.1853 37.939 34.5572 -43.7449 -157.296 PRESSAVG: 4757400 26.317 -5.20317 -54.2806 -5.2032 -11.3014 -16.9094 -54.2806 -16.9094 -25.5822 GPRESSAVG: 4757400 27.129 -8.04146 -55.2334 -4.85672 -12.2209 -18.5876 -52.9191 -15.2906 -25.7082 TIMING: 4757400 CPU: 14284.7, 0.00297203/step Wall: 14284.7, 0.00297203/step, 0.200282 hours remaining, 210.003906 MB of memory in use. ENERGY: 4757400 735.2986 2090.2383 1949.5409 113.2126 -205998.5442 17550.3831 0.0000 0.0000 34301.5790 -149258.2917 299.5642 -183559.8706 -149166.2353 299.0961 -98.2665 -62.7054 556723.0068 -3.5222 -3.6001 PRESSURE: 4757600 221.47 -140.861 -121.585 -140.861 -26.6509 -121.19 -121.584 -121.19 -149.298 GPRESSURE: 4757600 233.646 -97.19 -92.3768 -164.962 64.3707 -94.6065 -213.218 -144.597 -153.315 PRESSAVG: 4757600 34.6225 35.2342 -2.92791 35.2342 -29.0247 24.213 -2.92784 24.2129 -11.9769 GPRESSAVG: 4757600 33.6926 37.3157 -1.84766 33.596 -26.8531 25.9452 -2.73534 22.6918 -12.7709 TIMING: 4757600 CPU: 14285.3, 0.00297472/step Wall: 14285.3, 0.00297472/step, 0.200298 hours remaining, 210.003906 MB of memory in use. ENERGY: 4757600 757.3241 2084.9141 1964.8766 101.0662 -206331.1532 17853.4437 0.0000 0.0000 34455.5328 -149113.9958 300.9087 -183569.5286 -149018.6449 300.1580 15.1736 48.2341 556192.9971 -2.1264 -1.9772 PRESSURE: 4757800 -54.534 119.792 -83.33 119.792 -234.86 -38.0076 -83.3281 -38.0078 -195.048 GPRESSURE: 4757800 12.4887 147.176 -81.7899 54.2915 -200.6 -62.3164 -71.8969 -34.4087 -179.82 PRESSAVG: 4757800 22.681 19.5279 14.6238 19.5278 19.222 -39.1684 14.6237 -39.1683 -71.2211 GPRESSAVG: 4757800 23.1618 20.4603 14.6669 20.3091 18.2433 -38.4818 14.344 -36.7809 -70.845 TIMING: 4757800 CPU: 14285.9, 0.00297568/step Wall: 14285.9, 0.00297568/step, 0.200197 hours remaining, 210.003906 MB of memory in use. ENERGY: 4757800 821.3332 2036.4720 1945.5944 107.2778 -206170.8903 17692.6887 0.0000 0.0000 34367.1961 -149200.3282 300.1373 -183567.5243 -149098.0441 299.8580 -161.4807 -122.6439 558410.4383 -9.7727 -9.8133 PRESSURE: 4758000 106.271 -222.869 -114.556 -222.87 -176.846 77.2145 -114.555 77.2166 -76.2683 GPRESSURE: 4758000 134.606 -225.597 -40.4968 -171.347 -137.785 177.434 -70.8336 -37.3471 -39.7641 PRESSAVG: 4758000 63.6721 -23.4991 -37.1372 -23.4991 -0.244453 -20.8336 -37.1373 -20.8336 -5.14992 GPRESSAVG: 4758000 63.3137 -24.2244 -38.0103 -23.202 -1.33532 -19.2097 -36.7626 -22.2989 -3.77382 TIMING: 4758000 CPU: 14286.5, 0.00301709/step Wall: 14286.5, 0.00301709/step, 0.202816 hours remaining, 210.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4758000 727.4871 2084.0390 1956.6193 136.2334 -206221.8958 17850.2269 0.0000 0.0000 34271.0976 -149196.1924 299.2980 -183467.2900 -149097.6555 299.7657 -48.9480 -14.3144 557214.6099 19.4259 19.4015 PRESSURE: 4758200 6.14119 19.2991 -223.134 19.299 165.612 158.699 -223.134 158.701 90.1655 GPRESSURE: 4758200 29.937 10.552 -112.932 24.9151 255.8 170.19 -209.438 101.125 78.1304 PRESSAVG: 4758200 -30.1711 -38.2673 57.0874 -38.2672 -9.71443 30.9518 57.0873 30.9518 14.8896 GPRESSAVG: 4758200 -29.9548 -39.0103 56.8843 -37.5725 -9.49491 27.2769 57.0933 29.5457 14.499 TIMING: 4758200 CPU: 14287.1, 0.00300324/step Wall: 14287.1, 0.00300324/step, 0.201718 hours remaining, 210.003906 MB of memory in use. ENERGY: 4758200 720.3224 2060.0424 1951.9110 103.1060 -206352.2776 17879.0227 0.0000 0.0000 34378.7481 -149259.1250 300.2382 -183637.8731 -149162.2403 299.0213 87.3064 121.2893 555977.9857 -8.3320 -8.3169 PRESSURE: 4758400 91.2077 128.639 156.99 128.638 -373.205 -95.5289 156.99 -95.5271 -141.07 GPRESSURE: 4758400 97.8068 63.0806 181.286 178.271 -344.786 -183.221 121.564 -73.6705 -75.3666 PRESSAVG: 4758400 -27.9498 15.7983 20.1493 15.7983 -9.36433 -16.5852 20.1492 -16.5853 50.581 GPRESSAVG: 4758400 -28.3022 17.0287 20.1671 14.8264 -9.54034 -15.6955 21.8122 -16.3513 51.2583 TIMING: 4758400 CPU: 14287.7, 0.00300343/step Wall: 14287.7, 0.00300343/step, 0.201564 hours remaining, 210.003906 MB of memory in use. ENERGY: 4758400 733.7842 2067.6422 1937.5898 124.8053 -205898.7222 17496.3202 0.0000 0.0000 34337.1590 -149201.4214 299.8750 -183538.5805 -149095.5422 298.4013 -141.0224 -107.4486 557682.3484 4.4223 4.4719 PRESSURE: 4758600 100.085 34.6508 38.8006 34.6511 64.4364 -160.436 38.8016 -160.437 -61.8647 GPRESSURE: 4758600 84.5954 131.297 56.4692 -25.6317 139.938 -122.049 85.8343 -228.461 -35.7641 PRESSAVG: 4758600 6.20517 -1.47717 77.5911 -1.47719 21.1768 24.4854 77.5912 24.4853 24.1759 GPRESSAVG: 4758600 7.18947 -2.30834 76.2529 -1.32856 21.2437 24.6791 76.0213 25.3227 23.4131 TIMING: 4758600 CPU: 14288.3, 0.00301803/step Wall: 14288.3, 0.00301803/step, 0.202376 hours remaining, 210.003906 MB of memory in use. ENERGY: 4758600 723.5497 2099.8534 1944.1882 110.3691 -206270.9003 17851.7888 0.0000 0.0000 34407.5614 -149133.5896 300.4898 -183541.1510 -149035.9556 298.9374 34.2188 62.9231 557963.2534 17.1860 17.2821 PRESSURE: 4758800 -24.6615 -137.974 -43.135 -137.973 118.169 6.9529 -43.1351 6.95342 77.6255 GPRESSURE: 4758800 -24.8496 -127.305 -54.9863 -171.333 154.151 56.5784 -104.079 5.20342 132.264 PRESSAVG: 4758800 -58.9764 -2.29045 10.0462 -2.29041 65.9473 3.09739 10.0463 3.09738 -3.39796 GPRESSAVG: 4758800 -59.4824 -2.8082 11.6581 -1.42923 67.0092 3.14245 9.34372 2.95242 -3.89744 TIMING: 4758800 CPU: 14288.9, 0.00303354/step Wall: 14288.9, 0.00303354/step, 0.203247 hours remaining, 210.003906 MB of memory in use. ENERGY: 4758800 700.0702 2075.1864 1923.0172 117.5084 -206066.7132 17804.6172 0.0000 0.0000 34165.1814 -149281.1324 298.3730 -183446.3138 -149185.9874 299.3580 57.0445 87.1884 558352.9787 1.1910 1.2098 PRESSURE: 4759000 2.70288 -77.2297 -49.3303 -77.2304 -100.718 -56.2987 -49.3294 -56.2986 193.902 GPRESSURE: 4759000 19.0452 -123.455 -112.175 -49.9008 -18.3508 -116.802 -12.2687 -42.7414 197.148 PRESSAVG: 4759000 9.26155 -77.1262 35.4759 -77.1261 -24.3369 -33.1442 35.476 -33.1441 -11.9811 GPRESSAVG: 4759000 9.23645 -78.4924 35.4808 -76.0155 -24.9857 -31.5877 37.4748 -34.8892 -10.9509 TIMING: 4759000 CPU: 14289.5, 0.00299998/step Wall: 14289.5, 0.00299998/step, 0.200832 hours remaining, 210.003906 MB of memory in use. ENERGY: 4759000 751.4316 2039.2295 1934.1067 99.4435 -206185.3207 17972.5534 0.0000 0.0000 33956.6450 -149431.9110 296.5518 -183388.5560 -149337.1234 298.9001 31.9625 65.9474 557094.0121 -9.0188 -8.9000 PRESSURE: 4759200 181.259 -36.1401 -85.3343 -36.1408 93.6941 -25.4132 -85.335 -25.4139 -53.6336 GPRESSURE: 4759200 226.001 22.1166 -111.656 -2.99409 98.6599 -38.412 -81.9635 28.34 -7.60885 PRESSAVG: 4759200 -77.1523 -48.5019 20.5378 -48.502 15.0691 41.8221 20.5378 41.822 61.8282 GPRESSAVG: 4759200 -77.8846 -45.1063 20.9219 -50.2969 15.2952 39.3999 17.0521 46.2082 62.2023 TIMING: 4759200 CPU: 14290.1, 0.00304037/step Wall: 14290.1, 0.00304037/step, 0.203367 hours remaining, 210.003906 MB of memory in use. ENERGY: 4759200 739.8047 2082.2075 1940.5151 113.2801 -206672.9971 17972.2025 0.0000 0.0000 34373.6816 -149451.3056 300.1939 -183824.9872 -149352.9459 298.5058 73.7731 105.6839 557462.3740 -0.0850 -0.1291 PRESSURE: 4759400 -370.628 62.4798 -236.724 62.4813 -26.8661 70.6059 -236.724 70.6064 -257.259 GPRESSURE: 4759400 -258.915 63.1726 -215.43 33.1877 -26.4491 53.8208 -140.834 32.3342 -273.117 PRESSAVG: 4759400 -6.80047 -3.07587 6.92384 -3.0759 -36.5317 -11.5017 6.92378 -11.5015 54.1437 GPRESSAVG: 4759400 -6.65136 -4.67278 5.56098 -2.40413 -36.8436 -12.0494 8.56767 -15.404 53.4033 TIMING: 4759400 CPU: 14290.8, 0.0030231/step Wall: 14290.8, 0.0030231/step, 0.202044 hours remaining, 210.003906 MB of memory in use. ENERGY: 4759400 704.9154 2074.1159 1938.4373 109.4922 -206166.6131 17639.2527 0.0000 0.0000 34210.6841 -149489.7156 298.7704 -183700.3997 -149392.2961 298.9792 -218.2510 -186.1604 558703.8239 3.6038 3.3028 PRESSURE: 4759600 -332.725 57.103 32.5115 57.1032 -401.136 6.97107 32.5127 6.97006 -361.109 GPRESSURE: 4759600 -299.644 36.8275 -41.4528 77.0269 -442.251 -39.6561 10.1859 69.2268 -251.048 PRESSAVG: 4759600 67.1078 -28.7545 57.9975 -28.7545 5.53313 -29.5745 57.9975 -29.5746 12.6912 GPRESSAVG: 4759600 67.8918 -28.5165 59.3202 -29.3886 5.80283 -28.8373 58.8138 -27.2203 11.509 TIMING: 4759600 CPU: 14291.4, 0.0030548/step Wall: 14291.4, 0.0030548/step, 0.203993 hours remaining, 210.003906 MB of memory in use. ENERGY: 4759600 755.2357 2086.6608 1961.9502 106.5530 -205762.9482 17450.7506 0.0000 0.0000 34018.9826 -149382.8153 297.0962 -183401.7979 -149290.3247 299.2812 -364.9900 -330.9812 559986.6162 28.4440 28.4012 PRESSURE: 4759800 72.0272 17.9808 144.407 17.9804 72.4257 -4.5605 144.407 -4.56167 12.6527 GPRESSURE: 4759800 35.9097 77.8823 203.383 33.9151 139.957 64.8552 104.785 -54.5311 75.7971 PRESSAVG: 4759800 51.1433 -17.1558 25.1305 -17.1558 -66.1523 -38.0269 25.1305 -38.027 27.623 GPRESSAVG: 4759800 51.4614 -17.0156 25.9795 -17.5527 -67.0427 -37.2511 25.8577 -37.5319 27.3952 TIMING: 4759800 CPU: 14292, 0.0030196/step Wall: 14292, 0.0030196/step, 0.201474 hours remaining, 210.003906 MB of memory in use. ENERGY: 4759800 734.0985 2120.6013 1941.6165 118.6401 -206665.5047 17984.7647 0.0000 0.0000 34337.6299 -149428.1537 299.8791 -183765.7836 -149328.1270 298.9657 52.3685 83.8878 557794.9653 4.2047 3.9380 PRESSURE: 4760000 -153.636 62.0878 155.454 62.0887 208.942 53.6938 155.454 53.6945 57.5957 GPRESSURE: 4760000 -99.4296 38.8033 193.81 8.191 203.306 105.944 238.747 80.6623 107.44 PRESSAVG: 4760000 -9.96561 6.27282 -19.0212 6.2728 21.1651 -9.42777 -19.0212 -9.42763 4.78682 GPRESSAVG: 4760000 -10.533 6.57716 -20.1889 7.8148 20.808 -10.2811 -18.5995 -11.3849 5.7348 TIMING: 4760000 CPU: 14292.6, 0.00302078/step Wall: 14292.6, 0.00302078/step, 0.201385 hours remaining, 210.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4760000 793.1907 2077.2180 1925.4706 118.5364 -206541.4980 18043.0084 0.0000 0.0000 34137.4554 -149446.6187 298.1309 -183584.0740 -149350.4193 298.4484 37.6340 70.4386 557286.1873 5.3288 5.3366 PRESSURE: 4760200 -65.6995 -108.354 -88.692 -108.354 -249.922 -155.828 -88.6913 -155.828 -393.391 GPRESSURE: 4760200 -95.6885 -101.82 -92.126 -160.498 -185.752 -178.175 -87.6406 -149.411 -338.4 PRESSAVG: 4760200 43.8889 -30.4021 48.3667 -30.402 -61.7285 -24.9826 48.3668 -24.9827 4.98323 GPRESSAVG: 4760200 44.1027 -31.3032 49.9528 -29.7796 -61.844 -25.8176 48.3347 -23.9708 5.0616 TIMING: 4760200 CPU: 14293.2, 0.00302627/step Wall: 14293.2, 0.00302627/step, 0.201583 hours remaining, 210.003906 MB of memory in use. ENERGY: 4760200 770.2025 2116.1981 1931.4273 115.1286 -205868.4391 17547.7908 0.0000 0.0000 34029.6011 -149358.0908 297.1890 -183387.6919 -149260.3733 298.1557 -236.3373 -206.6135 559007.1362 -4.2855 -4.2266 LDB: ============= START OF LOAD BALANCING ============== 14296.7 LDB: ============== END OF LOAD BALANCING =============== 14296.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14296.7 LDB: ============= START OF LOAD BALANCING ============== 14297 LDB: Largest compute 4773 load 0.027186 is 23.0% of average load 0.118285 LDB: Average compute 0.001728 is 1.5% of average load 0.118285 LDB: TIME 14297 LOAD: AVG 0.118285 MAX 0.212967 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.977 MB LDB: TIME 14297 LOAD: AVG 0.118285 MAX 0.212967 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.18 MB LDB: TIME 14297 LOAD: AVG 0.118285 MAX 0.212967 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.18 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14297 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14297 PRESSURE: 4760400 -202.362 -13.2728 90.8581 -13.2737 -110.757 121.664 90.8591 121.666 -122.978 GPRESSURE: 4760400 -133.161 29.7295 91.8129 -66.3875 -67.5719 51.1758 154.67 130.153 -128.252 PRESSAVG: 4760400 4.36028 -37.7063 26.2595 -37.7063 -19.9898 -104.959 26.2594 -104.959 17.9574 GPRESSAVG: 4760400 4.82867 -37.7399 25.5508 -37.6146 -20.1724 -103.981 25.4129 -105.556 17.7252 TIMING: 4760400 CPU: 14293.8, 0.0030859/step Wall: 14293.8, 0.0030859/step, 0.205384 hours remaining, 207.953125 MB of memory in use. ENERGY: 4760400 743.3736 2102.8753 1927.8194 95.7660 -206213.2466 17613.7625 0.0000 0.0000 34343.0524 -149386.5973 299.9264 -183729.6498 -149280.8154 299.2448 -145.3654 -109.6616 557072.1484 0.7760 0.7938 PRESSURE: 4760600 -87.8961 -143.384 -80.3889 -143.384 -198.319 -63.8749 -80.3889 -63.8759 -90.0923 GPRESSURE: 4760600 -37.739 -190.191 -98.9185 -55.3774 -149.285 -44.2505 -65.075 -58.8019 -81.0976 PRESSAVG: 4760600 -7.3517 -6.91146 10.8307 -6.91149 -6.29109 -25.8099 10.8307 -25.8099 3.2678 GPRESSAVG: 4760600 -7.15041 -8.29262 9.36253 -5.7239 -5.03564 -27.8542 11.9737 -22.8124 2.00098 TIMING: 4760600 CPU: 14294.4, 0.00301122/step Wall: 14294.4, 0.00301122/step, 0.200246 hours remaining, 207.953125 MB of memory in use. ENERGY: 4760600 727.5145 2060.9855 1947.5459 120.4711 -206073.1856 17458.6991 0.0000 0.0000 34303.3121 -149454.6575 299.5794 -183757.9696 -149358.5075 298.7709 -125.4357 -89.3740 556297.1035 -3.4583 -3.3950 PRESSURE: 4760800 -267.647 80.7208 -2.75441 80.7208 -116.554 32.0276 -2.75684 32.028 -48.0142 GPRESSURE: 4760800 -226.082 210.157 -39.9268 -4.24928 -72.3423 28.1253 -22.6108 -12.022 -37.1244 PRESSAVG: 4760800 -33.7531 -8.15052 -28.4683 -8.15054 40.3393 -22.8614 -28.4682 -22.8614 -13.6344 GPRESSAVG: 4760800 -34.7065 -6.89243 -29.4873 -8.42146 39.3174 -20.5085 -27.5124 -26.4474 -12.0726 TIMING: 4760800 CPU: 14295, 0.0030177/step Wall: 14295, 0.0030177/step, 0.200509 hours remaining, 208.253906 MB of memory in use. ENERGY: 4760800 720.6096 2122.1787 1943.6703 114.2160 -206208.6524 17647.8720 0.0000 0.0000 34190.8349 -149469.2708 298.5971 -183660.1057 -149369.5441 299.1720 -144.0716 -111.8496 557501.2501 -2.3494 -2.4873 PRESSURE: 4761000 -35.1429 73.0103 17.8326 73.0101 57.4808 -127.246 17.8314 -127.247 -224.845 GPRESSURE: 4761000 62.9875 116.83 112.266 77.6798 38.5809 -59.609 -33.8589 -176.272 -210.425 PRESSAVG: 4761000 38.3593 53.3944 -35.8516 53.3944 -28.9147 8.28578 -35.8517 8.28583 -26.3562 GPRESSAVG: 4761000 38.8925 53.919 -32.8244 51.3287 -27.945 8.20428 -39.22 9.2774 -27.7347 TIMING: 4761000 CPU: 14295.6, 0.00300507/step Wall: 14295.6, 0.00300507/step, 0.199503 hours remaining, 208.285156 MB of memory in use. ENERGY: 4761000 745.0224 2088.4509 1939.9448 128.5716 -206178.7849 17777.9282 0.0000 0.0000 34099.9340 -149398.9330 297.8032 -183498.8670 -149299.2714 298.5226 -67.5025 -36.2854 557675.2503 -5.6372 -5.5957 PRESSURE: 4761200 217.235 -145.752 153.839 -145.751 -42.0689 253.264 153.84 253.265 210.884 GPRESSURE: 4761200 302.318 -198.204 170.712 -96.7752 -32.4125 241.845 195.352 235.224 207.207 PRESSAVG: 4761200 29.4019 17.715 -19.184 17.7151 -27.6791 59.9557 -19.1841 59.9557 11.8387 GPRESSAVG: 4761200 29.7479 17.4834 -21.2032 17.7287 -28.1432 63.1618 -18.1231 59.7218 12.4823 TIMING: 4761200 CPU: 14296.2, 0.00298287/step Wall: 14296.2, 0.00298287/step, 0.197864 hours remaining, 208.285156 MB of memory in use. ENERGY: 4761200 731.8964 2082.2384 1947.9963 120.5458 -206450.1017 18035.6244 0.0000 0.0000 34114.1626 -149417.6378 297.9275 -183531.8004 -149324.5574 299.0036 128.6835 159.0372 556382.3279 4.5205 4.6957 PRESSURE: 4761400 -570.458 -101.297 39.8112 -101.297 -373.378 -32.2208 39.8114 -32.2197 -100.517 GPRESSURE: 4761400 -531.822 -84.4699 17.6739 -119.942 -356.618 -15.6511 20.9161 -18.8392 -62.0474 PRESSAVG: 4761400 -75.9515 -9.17553 59.2056 -9.17564 -9.31891 15.4904 59.2056 15.4904 72.9525 GPRESSAVG: 4761400 -77.555 -7.54127 60.8337 -10.0604 -7.64479 13.462 60.1521 15.9111 72.9515 TIMING: 4761400 CPU: 14296.8, 0.00301987/step Wall: 14296.8, 0.00301987/step, 0.20015 hours remaining, 208.285156 MB of memory in use. ENERGY: 4761400 730.6722 2067.3109 1964.5164 118.5619 -205629.6780 17210.5078 0.0000 0.0000 34207.3196 -149330.7892 298.7410 -183538.1088 -149223.4137 299.0809 -348.1179 -316.8290 557281.0889 -4.1060 -4.0828 PRESSURE: 4761600 -94.2237 -98.1159 -62.213 -98.1171 92.7277 106.503 -62.2137 106.502 -177.782 GPRESSURE: 4761600 -85.6305 -44.1678 -92.3233 -74.3012 131.819 22.1354 -20.5666 152.237 -125.222 PRESSAVG: 4761600 -0.866589 44.0606 23.5306 44.0606 -17.0862 1.0382 23.5306 1.03829 29.6287 GPRESSAVG: 4761600 0.57869 42.9972 21.7896 45.2038 -17.8094 0.813073 24.4973 0.911153 28.9805 TIMING: 4761600 CPU: 14297.4, 0.00301402/step Wall: 14297.4, 0.00301402/step, 0.199595 hours remaining, 208.285156 MB of memory in use. ENERGY: 4761600 759.8791 2125.5480 1923.0086 108.8259 -206036.8223 17612.4180 0.0000 0.0000 34161.3581 -149345.7847 298.3396 -183507.1427 -149249.1133 298.2727 -59.7592 -26.3445 555984.2944 3.8920 3.9166 PRESSURE: 4761800 -33.2411 -185.546 79.6943 -185.546 141.724 80.6761 79.694 80.6765 -44.0956 GPRESSURE: 4761800 -1.57537 -198.706 79.8247 -150.276 211.886 69.3928 25.3838 91.9343 -45.2121 PRESSAVG: 4761800 -24.0754 -2.57005 13.8586 -2.57005 90.3473 55.3738 13.8587 55.3738 -1.73773 GPRESSAVG: 4761800 -25.6513 -4.77856 16.8961 -2.0969 91.0958 56.2326 11.3911 55.5039 -1.77079 TIMING: 4761800 CPU: 14298, 0.00299958/step Wall: 14298, 0.00299958/step, 0.198472 hours remaining, 208.285156 MB of memory in use. ENERGY: 4761800 743.1275 2048.2746 1941.9509 121.7751 -206414.9288 17983.6484 0.0000 0.0000 34273.0122 -149303.1401 299.3147 -183576.1523 -149209.4883 298.2310 21.4624 55.0328 555367.9691 21.5114 21.2246 PRESSURE: 4762000 -168.838 79.7849 -145.906 79.7877 42.5303 -63.5102 -145.906 -63.5095 -70.9784 GPRESSURE: 4762000 -93.7194 -39.6673 -84.6568 166.116 90.7443 -35.5054 -107.484 2.85998 -92.4293 PRESSAVG: 4762000 9.79813 -2.30968 48.2751 -2.30959 29.434 2.96245 48.2751 2.96239 -20.4275 GPRESSAVG: 4762000 11.3126 -2.22881 44.7825 -2.12517 28.4894 1.70698 50.5584 4.19855 -20.2487 TIMING: 4762000 CPU: 14298.6, 0.00300307/step Wall: 14298.6, 0.00300307/step, 0.198536 hours remaining, 208.285156 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: 4762000 797.4736 2081.5357 1937.4225 110.2154 -206615.9906 17934.4048 0.0000 0.0000 34412.3803 -149342.5582 300.5319 -183754.9384 -149242.1673 298.8229 -65.7619 -31.8015 556227.4922 6.2682 6.5178 PRESSURE: 4762200 -105.8 35.9469 71.8479 35.9481 -251.969 -117.5 71.8485 -117.5 -165.921 GPRESSURE: 4762200 -89.9517 3.38392 79.8574 -12.426 -216.233 -49.6037 118.466 -147.743 -127.416 PRESSAVG: 4762200 5.30894 28.6154 20.3893 28.6155 29.4008 20.2803 20.3894 20.2803 -27.0377 GPRESSAVG: 4762200 4.35534 29.4379 22.831 27.7836 29.8122 18.7111 19.7312 20.3143 -26.3651 TIMING: 4762200 CPU: 14299.2, 0.00299807/step Wall: 14299.2, 0.00299807/step, 0.198039 hours remaining, 208.285156 MB of memory in use. ENERGY: 4762200 788.7212 2050.2001 1917.9799 111.2537 -205800.6845 17404.8671 0.0000 0.0000 34265.2724 -149262.3902 299.2471 -183527.6626 -149170.0762 299.7554 -174.5633 -144.5334 556549.5585 2.5573 2.6008 PRESSURE: 4762400 -33.5551 -192.05 38.573 -192.051 -2.21639 -88.9342 38.5743 -88.9337 -169.827 GPRESSURE: 4762400 1.90741 -132.614 32.183 -249.482 15.2643 -109.301 22.9817 -13.1576 -128.3 PRESSAVG: 4762400 52.1582 7.06583 11.4583 7.06576 -12.1999 -42.157 11.4583 -42.157 -53.3808 GPRESSAVG: 4762400 52.5611 9.25128 10.5821 6.37745 -12.7671 -41.7405 11.0064 -42.3654 -52.7366 TIMING: 4762400 CPU: 14299.8, 0.00297838/step Wall: 14299.8, 0.00297838/step, 0.196573 hours remaining, 208.285156 MB of memory in use. ENERGY: 4762400 741.1448 2107.8585 1913.7695 124.7052 -206079.3241 17723.2592 0.0000 0.0000 34269.5948 -149198.9920 299.2849 -183468.5868 -149104.6377 299.3844 -68.5329 -37.0427 557180.6013 -4.4742 -4.3142 PRESSURE: 4762600 -71.4693 158.985 -8.64063 158.985 -80.9698 -147.377 -8.64098 -147.377 -106.851 GPRESSURE: 4762600 -24.802 111.083 62.1365 115.678 -10.6164 -152.934 -21.8477 -127.322 -135.174 PRESSAVG: 4762600 37.0319 2.29669 3.13352 2.29668 -36.7864 -52.5694 3.13351 -52.5692 9.36115 GPRESSAVG: 4762600 38.0584 0.485879 1.01691 1.96257 -36.5841 -53.0993 3.3205 -52.3234 8.2422 TIMING: 4762600 CPU: 14300.4, 0.00297546/step Wall: 14300.4, 0.00297546/step, 0.196215 hours remaining, 208.285156 MB of memory in use. ENERGY: 4762600 783.6843 2090.5292 1923.8257 110.2560 -206136.2191 17821.7072 0.0000 0.0000 34274.0905 -149132.1262 299.3242 -183406.2167 -149037.7726 299.1948 -86.4299 -56.8643 558010.7128 3.2022 3.2388 PRESSURE: 4762800 -80.1262 18.2522 -110.941 18.2526 -217.259 -127.907 -110.942 -127.908 -281.946 GPRESSURE: 4762800 -50.4935 93.4039 -87.1499 -55.3752 -163.165 -172.257 -92.0793 -142.145 -260.193 PRESSAVG: 4762800 80.0253 10.8942 -13.0336 10.8942 39.2392 -69.1892 -13.0336 -69.1893 -75.993 GPRESSAVG: 4762800 78.0464 10.9396 -10.4112 11.3991 40.1517 -67.4209 -14.6256 -70.6889 -74.831 TIMING: 4762800 CPU: 14301, 0.00296886/step Wall: 14301, 0.00296886/step, 0.195615 hours remaining, 208.285156 MB of memory in use. ENERGY: 4762800 771.9704 2060.1049 1935.6948 122.8186 -205581.1570 17374.9133 0.0000 0.0000 34127.3828 -149188.2722 298.0429 -183315.6550 -149092.9774 299.6778 -193.1103 -157.9505 557510.8297 14.4238 14.4557 PRESSURE: 4763000 178.903 -111.137 -90.4539 -111.136 -30.6218 125.547 -90.4536 125.545 299.891 GPRESSURE: 4763000 190.616 -128.913 -92.0191 -73.7408 9.32125 65.641 -109.309 146.482 351.94 PRESSAVG: 4763000 -23.2608 28.6997 4.11356 28.6997 19.8099 20.1746 4.11365 20.1746 -16.0969 GPRESSAVG: 4763000 -21.5976 28.9657 2.85998 30.2804 17.5468 19.3265 5.68367 20.6236 -16.2794 TIMING: 4763000 CPU: 14301.6, 0.0029532/step Wall: 14301.6, 0.0029532/step, 0.194419 hours remaining, 208.285156 MB of memory in use. ENERGY: 4763000 755.8729 2153.8461 1909.9394 113.0869 -206582.5648 18256.3192 0.0000 0.0000 34180.7473 -149212.7529 298.5090 -183393.5003 -149119.9865 298.8026 149.3908 183.9589 556933.1638 -6.5159 -6.7767 PRESSURE: 4763200 -17.3735 -115.02 -222.41 -115.02 -163.127 92.4645 -222.411 92.4655 -37.589 GPRESSURE: 4763200 27.9734 -159.392 -343.757 -72.5578 -127.344 81.6869 -135.947 109.663 -25.2871 PRESSAVG: 4763200 3.89732 -29.1486 -14.966 -29.1486 -51.0003 19.7075 -14.9661 19.7075 27.3889 GPRESSAVG: 4763200 3.86654 -30.7393 -14.5358 -29.6163 -50.6814 19.9527 -16.5599 19.2476 25.7607 TIMING: 4763200 CPU: 14302.2, 0.00296853/step Wall: 14302.2, 0.00296853/step, 0.195263 hours remaining, 208.285156 MB of memory in use. ENERGY: 4763200 749.9507 2131.5571 1934.8936 110.7442 -206347.3783 17770.9638 0.0000 0.0000 34195.7490 -149453.5199 298.6400 -183649.2689 -149358.9106 299.4013 -72.6966 -41.5527 557638.0440 -6.5714 -7.0181 PRESSURE: 4763400 281.13 -73.306 -8.63381 -73.3052 -82.1094 -70.7102 -8.63369 -70.71 69.1035 GPRESSURE: 4763400 297.895 -57.5324 -16.1182 -70.4736 -22.311 -163.929 27.0482 29.9098 82.6907 PRESSAVG: 4763400 18.8149 -16.3518 -9.32123 -16.3518 -23.6574 10.4736 -9.32127 10.4735 32.3653 GPRESSAVG: 4763400 19.2102 -14.8022 -10.4262 -16.6922 -23.3269 11.2588 -8.21367 9.84793 31.723 TIMING: 4763400 CPU: 14302.8, 0.00297927/step Wall: 14302.8, 0.00297927/step, 0.195804 hours remaining, 208.285156 MB of memory in use. ENERGY: 4763400 754.2996 2076.1711 1903.9051 115.1026 -206138.1710 17933.5423 0.0000 0.0000 34052.2480 -149302.9023 297.3868 -183355.1503 -149215.8502 298.8434 89.3746 119.4250 556349.4461 9.1743 9.2021 PRESSURE: 4763600 178.076 15.2798 131.165 15.2797 -294.508 -17.9667 131.165 -17.9652 94.9504 GPRESSURE: 4763600 224.475 56.3483 61.7546 -16.9318 -271.334 46.415 150.113 -76.5104 135.649 PRESSAVG: 4763600 13.303 25.3553 35.5839 25.3554 1.65289 -29.0822 35.5838 -29.0822 25.0814 GPRESSAVG: 4763600 13.1463 26.694 37.4649 25.1702 1.06971 -31.2499 33.3751 -29.2289 25.6815 TIMING: 4763600 CPU: 14303.4, 0.00299975/step Wall: 14303.4, 0.00299975/step, 0.196984 hours remaining, 208.285156 MB of memory in use. ENERGY: 4763600 795.3031 2043.3874 1945.7443 106.6959 -206183.5942 17730.8331 0.0000 0.0000 34186.1675 -149375.4630 298.5563 -183561.6304 -149284.5248 299.1642 -7.1606 29.5967 556336.5314 13.3458 13.2992 PRESSURE: 4763800 -200.153 -11.0437 34.7296 -11.044 -21.1009 -86.4721 34.7298 -86.4718 3.34158 GPRESSURE: 4763800 -168.138 32.4248 31.315 -68.7218 40.34 -171.702 58.4569 -55.7034 3.85089 PRESSAVG: 4763800 -55.8932 -7.60642 31.5917 -7.60636 -12.8439 0.20713 31.5917 0.207063 60.5719 GPRESSAVG: 4763800 -55.8403 -8.80865 29.7417 -6.581 -12.3876 0.73444 32.6908 3.32207 60.0835 TIMING: 4763800 CPU: 14304, 0.00295831/step Wall: 14304, 0.00295831/step, 0.194098 hours remaining, 208.285156 MB of memory in use. ENERGY: 4763800 770.9441 2067.3865 1949.5770 107.0468 -206152.7169 17690.9546 0.0000 0.0000 34165.6951 -149401.1128 298.3775 -183566.8079 -149302.3721 298.9308 -72.6375 -41.3156 557731.8478 -2.7218 -2.7148 PRESSURE: 4764000 113.32 -79.3906 -2.41193 -79.3903 81.1454 -228.852 -2.41312 -228.851 110.653 GPRESSURE: 4764000 158.561 -8.11398 51.2915 -126.325 107.107 -210.6 -30.397 -160.443 144.304 PRESSAVG: 4764000 47.9265 42.5528 4.60261 42.5528 -68.7808 -13.4205 4.60264 -13.4207 -2.45138 GPRESSAVG: 4764000 47.074 42.5206 6.60183 40.5747 -68.9831 -12.799 4.1636 -15.4666 -1.27281 TIMING: 4764000 CPU: 14304.6, 0.00297664/step Wall: 14304.6, 0.00297664/step, 0.195135 hours remaining, 208.285156 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: 4764000 764.3195 2066.8986 1955.1631 118.3601 -206745.6495 18123.7499 0.0000 0.0000 34109.2935 -149607.8649 297.8849 -183717.1584 -149518.3116 298.1899 101.7060 136.6574 556652.5352 -7.7686 -7.7273 PRESSURE: 4764200 71.1827 -94.5767 44.0761 -94.5778 45.0085 191.971 44.0755 191.97 85.0795 GPRESSURE: 4764200 133.59 -23.0114 19.4559 -102.826 0.293677 253.789 149.656 185.193 165.546 PRESSAVG: 4764200 -59.0583 -39.6856 -19.5465 -39.6856 12.716 -27.5355 -19.5465 -27.5356 6.25274 GPRESSAVG: 4764200 -59.6844 -42.1536 -20.1103 -37.2514 13.4839 -27.9144 -18.2074 -27.6571 5.41458 TIMING: 4764200 CPU: 14305.1, 0.00297529/step Wall: 14305.1, 0.00297529/step, 0.194881 hours remaining, 208.285156 MB of memory in use. ENERGY: 4764200 726.5860 2039.8976 1939.1805 108.8839 -206698.1503 17876.4139 0.0000 0.0000 34329.9100 -149677.2784 299.8116 -184007.1884 -149574.9866 298.0453 67.0903 99.8101 555840.2641 -13.3632 -13.5953 LDB: ============= START OF LOAD BALANCING ============== 14308.7 LDB: ============== END OF LOAD BALANCING =============== 14308.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14308.7 LDB: ============= START OF LOAD BALANCING ============== 14309 LDB: Largest compute 4773 load 0.025904 is 21.9% of average load 0.118300 LDB: Average compute 0.001734 is 1.5% of average load 0.118300 LDB: TIME 14309 LOAD: AVG 0.1183 MAX 0.213001 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.941 MB LDB: TIME 14309 LOAD: AVG 0.1183 MAX 0.213001 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.145 MB LDB: TIME 14309 LOAD: AVG 0.1183 MAX 0.213001 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.145 MB LDB: ============== END OF LOAD BALANCING =============== 14309 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14309 PRESSURE: 4764400 168.517 -42.6286 -148.396 -42.6276 78.0668 -91.7859 -148.398 -91.7835 -319.358 GPRESSURE: 4764400 192.577 -90.7812 -174.369 -55.5497 157.967 -127.879 -110.101 -41.6886 -328.908 PRESSAVG: 4764400 -21.3855 -41.5379 -37.3241 -41.5379 3.28006 33.989 -37.324 33.989 24.6891 GPRESSAVG: 4764400 -20.9847 -39.8291 -38.2645 -43.4621 2.01796 34.0957 -38.6949 35.4418 25.1134 TIMING: 4764400 CPU: 14305.8, 0.0030586/step Wall: 14305.8, 0.0030586/step, 0.200168 hours remaining, 210.003906 MB of memory in use. ENERGY: 4764400 778.0463 2060.4896 1968.4281 117.9241 -206652.1035 17925.6872 0.0000 0.0000 34368.0893 -149433.4391 300.1451 -183801.5283 -149342.0686 298.8137 -24.2578 7.2120 556266.9456 2.1945 2.0489 PRESSURE: 4764600 55.5011 91.2858 118.098 91.2866 59.2742 120.874 118.099 120.874 138.058 GPRESSURE: 4764600 78.9966 -33.3196 122.72 60.4209 135.9 97.7757 43.0027 148.139 139.539 PRESSAVG: 4764600 -45.8617 -32.6091 -7.84135 -32.6091 -63.482 -19.4104 -7.84138 -19.4104 93.9006 GPRESSAVG: 4764600 -46.6274 -33.4818 -6.72332 -30.9168 -63.833 -19.0994 -7.38089 -20.7069 94.8111 TIMING: 4764600 CPU: 14306.4, 0.00299884/step Wall: 14306.4, 0.00299884/step, 0.196091 hours remaining, 210.207031 MB of memory in use. ENERGY: 4764600 731.4370 2066.4226 1941.8634 110.9414 -206809.4307 18085.2517 0.0000 0.0000 34242.2393 -149631.2754 299.0460 -183873.5147 -149532.7388 299.0785 84.2778 118.1450 555874.9998 -5.1477 -5.2164 PRESSURE: 4764800 5.2794 -207.782 -2.15833 -207.782 -40.8624 64.4984 -2.15905 64.4999 93.3307 GPRESSURE: 4764800 16.9123 -173.417 11.1973 -206.472 -2.31018 32.4242 23.6949 108.57 123.171 PRESSAVG: 4764800 33.1866 -55.063 44.6834 -55.063 23.1699 34.8302 44.6834 34.8301 -8.24344 GPRESSAVG: 4764800 32.4593 -54.2399 46.9109 -55.004 23.0678 34.8936 43.4891 34.2364 -7.39205 TIMING: 4764800 CPU: 14307, 0.00299348/step Wall: 14307, 0.00299348/step, 0.195574 hours remaining, 210.207031 MB of memory in use. ENERGY: 4764800 727.8159 2080.9289 1984.2222 115.2897 -206451.7301 17824.8711 0.0000 0.0000 34069.6771 -149648.9253 297.5390 -183718.6024 -149552.6593 298.5007 19.2493 45.9243 556234.2802 16.0377 16.0450 PRESSURE: 4765000 56.7304 42.6476 -187.227 42.6476 -197.401 15.3605 -187.227 15.3596 -186.806 GPRESSURE: 4765000 65.1092 20.6493 -179.622 67.9177 -135.163 58.0545 -252.404 -1.50906 -164.61 PRESSAVG: 4765000 -42.192 -31.5295 -53.9363 -31.5295 8.61843 9.76462 -53.9362 9.76467 25.8061 GPRESSAVG: 4765000 -41.0786 -31.5653 -56.5534 -33.0272 9.19493 9.33163 -53.6368 9.86767 24.5691 TIMING: 4765000 CPU: 14307.6, 0.00297462/step Wall: 14307.6, 0.00297462/step, 0.194176 hours remaining, 210.207031 MB of memory in use. ENERGY: 4765000 738.0298 2075.8146 1951.6103 114.0554 -206294.2068 17680.3852 0.0000 0.0000 33974.1203 -149760.1911 296.7044 -183734.3113 -149657.6503 298.3944 -109.1587 -78.2213 557612.7650 -2.5891 -2.4382 PRESSURE: 4765200 12.8539 -40.9495 60.209 -40.9495 108.506 -142.939 60.2085 -142.94 61.5739 GPRESSURE: 4765200 70.0064 5.62052 87.2369 -41.2004 122.033 -120.34 78.7143 -123.712 97.6981 PRESSAVG: 4765200 -2.36214 -6.35306 4.61411 -6.35308 -25.6032 48.8118 4.61406 48.8118 31.9582 GPRESSAVG: 4765200 -2.388 -6.91962 4.21995 -5.20243 -27.06 48.7156 5.29795 48.3746 33.7269 TIMING: 4765200 CPU: 14308.1, 0.00297502/step Wall: 14308.1, 0.00297502/step, 0.194037 hours remaining, 210.207031 MB of memory in use. ENERGY: 4765200 738.9513 2069.6405 1936.0371 108.9882 -206419.6717 17835.3011 0.0000 0.0000 34158.6002 -149572.1532 298.3156 -183730.7535 -149481.6692 298.2610 60.9779 96.5791 555356.8072 1.3310 1.4263 PRESSURE: 4765400 131.482 91.3782 -122.886 91.3787 -217.605 -25.8473 -122.887 -25.8474 -174.781 GPRESSURE: 4765400 120.003 53.5357 -122.77 106.511 -117.525 -17.5346 -48.9026 13.6433 -181.823 PRESSAVG: 4765400 8.85248 2.32257 -3.58626 2.32258 -6.05951 13.932 -3.58627 13.9319 7.63375 GPRESSAVG: 4765400 8.49139 3.57995 -4.21578 1.26985 -4.54967 13.6754 -2.50883 15.7526 6.33485 TIMING: 4765400 CPU: 14308.7, 0.00297745/step Wall: 14308.7, 0.00297745/step, 0.19403 hours remaining, 210.207031 MB of memory in use. ENERGY: 4765400 727.7240 2100.8908 1930.0833 103.4683 -206660.9690 17930.9610 0.0000 0.0000 34075.3118 -149792.5299 297.5882 -183867.8417 -149694.4526 297.8670 -86.9682 -59.7819 557176.7913 3.4756 3.4255 PRESSURE: 4765600 211.656 23.6317 30.0119 23.6329 29.282 -59.6072 30.013 -59.6062 -68.9284 GPRESSURE: 4765600 211.641 6.2583 11.3362 11.3047 26.337 -78.9476 77.9561 -35.6278 30.4507 PRESSAVG: 4765600 1.43077 46.9135 -10.165 46.9133 -0.626423 -62.0935 -10.1649 -62.0935 -14.6994 GPRESSAVG: 4765600 0.755352 47.4094 -9.12648 47.7359 -1.05684 -63.3467 -9.77441 -62.5783 -13.566 TIMING: 4765600 CPU: 14309.3, 0.00296745/step Wall: 14309.3, 0.00296745/step, 0.193214 hours remaining, 210.207031 MB of memory in use. ENERGY: 4765600 740.0787 2071.2597 1972.1397 126.0876 -206883.4118 17978.2932 0.0000 0.0000 34173.4246 -149822.1282 298.4450 -183995.5528 -149730.5336 297.5468 57.3365 89.4763 556172.7490 -4.6317 -4.6225 PRESSURE: 4765800 -75.2279 -122.592 -126.992 -122.59 161.778 -27.9366 -126.993 -27.9352 -125.207 GPRESSURE: 4765800 -48.2254 -216.102 -49.4595 -111.821 204.832 -48.9589 -59.2756 15.9035 -103.193 PRESSAVG: 4765800 -45.1203 -34.3487 28.13 -34.3487 21.3642 3.02244 28.13 3.02237 29.2487 GPRESSAVG: 4765800 -44.2949 -35.331 29.7563 -34.2894 20.9774 4.06175 26.4394 3.02112 28.659 TIMING: 4765800 CPU: 14309.9, 0.00296133/step Wall: 14309.9, 0.00296133/step, 0.192651 hours remaining, 210.207031 MB of memory in use. ENERGY: 4765800 767.5672 2087.0678 1979.6722 115.3150 -206766.8440 17952.0762 0.0000 0.0000 34143.3905 -149721.7552 298.1827 -183865.1457 -149626.3568 298.0912 -12.8856 17.8047 557074.6976 1.8309 1.7805 PRESSURE: 4766000 -79.9423 73.6445 22.4247 73.6446 336.558 -23.7494 22.424 -23.7513 -177.31 GPRESSURE: 4766000 1.9133 82.486 -4.98632 58.4224 353.666 -157.637 31.1367 36.2874 -177.919 PRESSAVG: 4766000 -26.7158 -50.8809 34.7812 -50.881 60.8666 -30.5754 34.7813 -30.5754 -13.8335 GPRESSAVG: 4766000 -25.6764 -51.0868 35.1549 -49.5357 60.7937 -30.9481 35.1653 -30.6623 -14.5433 TIMING: 4766000 CPU: 14310.5, 0.00296621/step Wall: 14310.5, 0.00296621/step, 0.192804 hours remaining, 210.207031 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: 4766000 729.5895 2179.6874 1967.7610 122.8854 -206545.2539 17917.1386 0.0000 0.0000 34073.6984 -149554.4936 297.5741 -183628.1920 -149455.8954 298.0986 26.4353 59.2200 558559.2481 6.7724 6.8580 PRESSURE: 4766200 -168.819 18.3094 190.499 18.308 160.782 34.1672 190.499 34.166 100.667 GPRESSURE: 4766200 -146.593 22.4052 108.985 61.1774 203.399 94.4653 112.056 30.2137 137.606 PRESSAVG: 4766200 -87.6674 -3.56271 55.1367 -3.56267 85.239 -11.6089 55.1367 -11.6089 11.3575 GPRESSAVG: 4766200 -87.0007 -3.86843 52.0698 -5.80156 85.5308 -12.7239 56.7873 -11.2385 10.4945 TIMING: 4766200 CPU: 14311.1, 0.00297585/step Wall: 14311.1, 0.00297585/step, 0.193265 hours remaining, 210.207031 MB of memory in use. ENERGY: 4766200 747.3567 2103.1205 1960.4409 119.4021 -206535.7762 18031.2726 0.0000 0.0000 34095.7923 -149478.3911 297.7670 -183574.1834 -149379.0427 298.4057 30.8767 64.8040 557277.2029 2.9764 3.0082 PRESSURE: 4766400 -47.3842 -40.1248 -54.8754 -40.1253 -249.84 -82.0179 -54.8743 -82.0181 30.124 GPRESSURE: 4766400 -5.3557 -38.5209 -117.03 18.8732 -214.356 -76.1725 19.0319 -82.5837 56.5591 PRESSAVG: 4766400 19.7826 -30.7553 1.06876 -30.7552 71.4354 -23.7177 1.06879 -23.7176 -75.3291 GPRESSAVG: 4766400 19.2779 -29.9586 2.45573 -30.3834 71.6625 -23.2049 -0.899529 -23.3838 -74.7128 TIMING: 4766400 CPU: 14311.7, 0.00295425/step Wall: 14311.7, 0.00295425/step, 0.191698 hours remaining, 210.207031 MB of memory in use. ENERGY: 4766400 783.0422 2042.0882 1949.4318 109.5454 -206159.2711 17732.2701 0.0000 0.0000 34230.0498 -149312.8437 298.9395 -183542.8935 -149213.7029 298.6834 -89.0332 -54.3842 557013.9438 5.2963 5.4092 PRESSURE: 4766600 -49.5843 -47.7315 -39.5937 -47.7318 -273.199 -55.8979 -39.5938 -55.8993 96.2694 GPRESSURE: 4766600 44.3099 -70.2694 13.5418 6.22028 -256.992 -83.8164 -46.1088 -44.4063 74.8803 PRESSAVG: 4766600 6.99367 -20.7806 -7.78276 -20.7806 38.1499 -51.5392 -7.78277 -51.5393 -40.8965 GPRESSAVG: 4766600 6.80795 -21.4324 -7.75544 -18.5851 37.2655 -49.8634 -6.77677 -50.2648 -40.1796 TIMING: 4766600 CPU: 14312.3, 0.00294168/step Wall: 14312.3, 0.00294168/step, 0.190719 hours remaining, 210.207031 MB of memory in use. ENERGY: 4766600 789.5660 2134.2240 1960.8994 116.7779 -206305.6073 17726.5842 0.0000 0.0000 34354.3456 -149223.2101 300.0250 -183577.5557 -149131.2513 299.3307 -75.5045 -45.9338 556844.7049 1.4157 1.2980 PRESSURE: 4766800 -328.679 -51.7801 132.485 -51.7801 -417.495 -208.141 132.486 -208.14 -233.229 GPRESSURE: 4766800 -308.45 -27.7274 146.532 -65.6777 -355.439 -174.567 201.739 -138.496 -207.366 PRESSAVG: 4766800 -38.4152 -2.93009 12.0822 -2.93005 15.9077 -40.5413 12.0823 -40.5412 46.9482 GPRESSAVG: 4766800 -38.2274 -3.12551 13.3013 -4.88006 17.4552 -40.0937 11.053 -41.1234 45.7167 TIMING: 4766800 CPU: 14312.9, 0.00295156/step Wall: 14312.9, 0.00295156/step, 0.191195 hours remaining, 210.207031 MB of memory in use. ENERGY: 4766800 756.5812 2101.0336 1935.4594 118.3893 -205802.4668 17258.6091 0.0000 0.0000 34255.2719 -149377.1223 299.1598 -183632.3942 -149283.7291 299.2345 -326.4678 -290.4184 557191.0004 8.1469 8.3148 PRESSURE: 4767000 -237.068 -90.8389 -90.4225 -90.8397 -60.3311 120.124 -90.4239 120.125 -367.357 GPRESSURE: 4767000 -230.392 -116.103 -132.27 -90.7139 -44.3868 216.249 -32.648 -11.6239 -310.632 PRESSAVG: 4767000 -54.5286 -32.7447 16.1707 -32.7447 -9.25522 -35.9051 16.1708 -35.9051 82.2966 GPRESSAVG: 4767000 -54.4904 -32.4263 14.4752 -31.2472 -11.015 -35.2243 16.8826 -38.2838 83.5938 TIMING: 4767000 CPU: 14313.5, 0.00293767/step Wall: 14313.5, 0.00293767/step, 0.190132 hours remaining, 210.207031 MB of memory in use. ENERGY: 4767000 744.7629 2173.6403 1923.2991 108.8749 -205942.9896 17409.4629 0.0000 0.0000 34126.0644 -149456.8851 298.0314 -183582.9495 -149358.6777 298.7809 -221.5853 -195.1368 557795.7248 6.1709 6.0294 PRESSURE: 4767200 -12.7262 -66.9344 235.636 -66.9353 95.8015 -3.62444 235.637 -3.62315 232.394 GPRESSURE: 4767200 53.1879 -21.6815 190.739 -60.097 142.848 77.0919 189.551 -39.1937 220.19 PRESSAVG: 4767200 -20.7824 -25.1021 18.8215 -25.1022 17.5251 -25.669 18.8214 -25.6691 59.1341 GPRESSAVG: 4767200 -21.3422 -25.4808 18.804 -25.8405 19.0547 -26.4912 19.6767 -23.4868 58.5777 TIMING: 4767200 CPU: 14314.1, 0.00294927/step Wall: 14314.1, 0.00294927/step, 0.190719 hours remaining, 210.207031 MB of memory in use. ENERGY: 4767200 739.6045 2105.2465 1977.2499 121.0800 -206305.6355 17834.4861 0.0000 0.0000 34120.2169 -149407.7516 297.9803 -183527.9685 -149312.4171 299.0087 105.1563 138.7420 556383.7283 18.6256 18.7634 PRESSURE: 4767400 -117.328 4.27693 -18.4017 4.2782 122.476 165.845 -18.4028 165.845 55.8408 GPRESSURE: 4767400 -116.971 -5.62941 28.874 18.834 190.167 49.8997 -7.42428 199.971 65.132 PRESSAVG: 4767400 -26.6528 -23.2328 7.70366 -23.2328 16.4478 -3.43691 7.70377 -3.437 16.4368 GPRESSAVG: 4767400 -26.8348 -21.8908 5.75778 -24.2181 16.7726 -4.90901 7.52597 -4.12593 16.1935 TIMING: 4767400 CPU: 14314.7, 0.00296005/step Wall: 14314.7, 0.00296005/step, 0.191252 hours remaining, 210.207031 MB of memory in use. ENERGY: 4767400 761.0283 2130.9444 1928.6365 117.1274 -206477.7299 17842.2777 0.0000 0.0000 34389.1662 -149308.5492 300.3291 -183697.7154 -149202.8425 299.7193 20.3296 46.1092 556616.6241 2.0773 2.0437 PRESSURE: 4767600 223.89 -3.73692 -91.2955 -3.73764 -143.608 67.5278 -91.2942 67.529 56.0157 GPRESSURE: 4767600 223.917 49.6117 -140.963 37.553 -106.897 50.0291 -83.2881 63.7515 121.754 PRESSAVG: 4767600 -23.029 -39.6247 27.4825 -39.6247 64.2969 6.01525 27.4827 6.01528 -31.9373 GPRESSAVG: 4767600 -22.8839 -39.621 30.9353 -39.1686 63.5932 5.57515 25.0752 6.05364 -31.5031 TIMING: 4767600 CPU: 14315.3, 0.00295866/step Wall: 14315.3, 0.00295866/step, 0.190998 hours remaining, 210.207031 MB of memory in use. ENERGY: 4767600 790.8652 2080.8246 1937.1287 109.8956 -206537.0947 18129.8598 0.0000 0.0000 34178.1785 -149310.3421 298.4865 -183488.5207 -149226.5378 299.6620 45.4326 79.5916 557160.3048 3.1102 3.0687 PRESSURE: 4767800 44.0185 161.672 -4.74776 161.672 -102.859 -3.62929 -4.74752 -3.63166 -99.1128 GPRESSURE: 4767800 53.343 140.095 49.407 196.549 -12.9257 -78.847 -101.4 25.0237 -98.5537 PRESSAVG: 4767800 -56.8261 21.6718 -14.1483 21.6719 47.9191 -32.3004 -14.1483 -32.3003 22.1122 GPRESSAVG: 4767800 -55.7529 19.2471 -15.0758 23.2839 47.0924 -32.5631 -12.2502 -32.3238 21.9142 TIMING: 4767800 CPU: 14315.9, 0.00300304/step Wall: 14315.9, 0.00300304/step, 0.193696 hours remaining, 210.207031 MB of memory in use. ENERGY: 4767800 740.5571 2108.4321 1935.2545 108.3405 -206082.6076 17642.2562 0.0000 0.0000 34306.9482 -149240.8190 299.6111 -183547.7671 -149140.9358 299.8257 -52.6510 -19.3788 557222.8784 4.4017 4.4179 PRESSURE: 4768000 -235.61 185.002 -61.8619 185.002 -202.316 -72.1047 -61.8611 -72.1033 -174.397 GPRESSURE: 4768000 -223.284 141.483 -27.6861 142.225 -121.656 -144.003 -96.8263 -92.9346 -170.906 PRESSAVG: 4768000 -15.693 39.9644 -19.1347 39.9644 18.1656 -8.375 -19.1346 -8.37511 -26.7498 GPRESSAVG: 4768000 -16.0875 41.9302 -18.8353 38.4098 19.7649 -9.13779 -20.2849 -7.36147 -27.946 TIMING: 4768000 CPU: 14316.4, 0.00297065/step Wall: 14316.4, 0.00297065/step, 0.191442 hours remaining, 210.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4768000 757.8259 2079.9325 1962.6045 104.5939 -205904.5689 17720.7475 0.0000 0.0000 34058.0768 -149220.7877 297.4377 -183278.8645 -149126.8410 299.2106 -204.1075 -171.9488 558907.9047 -8.0924 -8.0896 PRESSURE: 4768200 186.019 -0.738942 -61.6037 -0.739145 89.0692 98.2825 -61.6047 98.2836 -143.832 GPRESSURE: 4768200 217.351 73.1008 -66.8077 -45.2707 116.446 88.0119 -18.6486 98.3707 -105.854 PRESSAVG: 4768200 -10.5305 48.257 -87.7475 48.2569 29.6071 50.6448 -87.7475 50.6448 -20.3353 GPRESSAVG: 4768200 -10.3755 48.4334 -90.1298 48.0504 28.7859 49.4256 -85.9446 50.0395 -19.6824 TIMING: 4768200 CPU: 14317, 0.00297079/step Wall: 14317, 0.00297079/step, 0.191286 hours remaining, 210.410156 MB of memory in use. ENERGY: 4768200 746.1436 2088.1394 1939.9875 111.0891 -206201.4487 17844.2755 0.0000 0.0000 34210.4214 -149261.3921 298.7681 -183471.8135 -149169.9966 299.0110 43.7519 75.9810 558920.0497 -0.4196 -0.4240 LDB: ============= START OF LOAD BALANCING ============== 14320.6 LDB: ============== END OF LOAD BALANCING =============== 14320.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14320.6 LDB: ============= START OF LOAD BALANCING ============== 14320.9 LDB: Largest compute 4773 load 0.027644 is 23.4% of average load 0.118247 LDB: Average compute 0.001726 is 1.5% of average load 0.118247 LDB: TIME 14320.9 LOAD: AVG 0.118247 MAX 0.212548 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.773 MB LDB: TIME 14320.9 LOAD: AVG 0.118247 MAX 0.212548 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.875 MB LDB: TIME 14320.9 LOAD: AVG 0.118247 MAX 0.212548 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.875 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14320.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14320.9 PRESSURE: 4768400 6.4526 163.938 -196.863 163.938 167.244 -105.695 -196.864 -105.693 -197.132 GPRESSURE: 4768400 -31.8463 140.542 -209.951 152.533 220.173 -195.931 -162.594 -104.874 -122.183 PRESSAVG: 4768400 76.9161 0.73869 -18.2307 0.738758 -19.8189 -3.70308 -18.2307 -3.70309 -22.3744 GPRESSAVG: 4768400 75.4781 -0.862465 -15.2629 3.16441 -20.1298 -2.14974 -18.4104 -1.70083 -20.3501 TIMING: 4768400 CPU: 14317.7, 0.00306822/step Wall: 14317.7, 0.00306822/step, 0.197389 hours remaining, 207.750000 MB of memory in use. ENERGY: 4768400 727.8691 2124.9547 1947.3453 116.9107 -206170.5947 17844.0048 0.0000 0.0000 34281.4714 -149128.0387 299.3886 -183409.5101 -149029.7721 299.7586 -7.8119 22.0477 558862.5936 11.5743 11.6660 PRESSURE: 4768600 41.7068 201.475 -179.771 201.475 -0.349839 124.76 -179.772 124.761 76.4338 GPRESSURE: 4768600 89.1868 166.529 -243.793 178.75 53.1282 99.6962 -85.7383 164.567 67.8487 PRESSAVG: 4768600 16.5712 29.7711 -6.01981 29.7711 24.3167 -11.8758 -6.01977 -11.8759 -44.6661 GPRESSAVG: 4768600 16.4776 33.1693 -8.68991 26.8977 25.3269 -13.1388 -6.36354 -14.2849 -44.8781 TIMING: 4768600 CPU: 14318.3, 0.00299466/step Wall: 14318.3, 0.00299466/step, 0.19249 hours remaining, 207.953125 MB of memory in use. ENERGY: 4768600 735.3961 2127.6727 1942.3698 105.4378 -206409.6687 17954.8607 0.0000 0.0000 34369.8126 -149174.1190 300.1601 -183543.9316 -149084.9094 299.9226 39.2636 70.0546 555975.4240 -1.2594 -1.0245 PRESSURE: 4768800 -44.3809 85.9788 -65.2727 85.9787 102.062 -79.3024 -65.2733 -79.3028 -144.013 GPRESSURE: 4768800 18.1097 134.209 13.3726 36.6978 151.44 -141.05 -21.9442 -18.279 -160.989 PRESSAVG: 4768800 -56.5765 -16.2778 -15.8499 -16.2778 8.74382 16.9983 -15.85 16.9984 24.7967 GPRESSAVG: 4768800 -55.1009 -18.3805 -13.8675 -16.0406 7.83309 20.1019 -16.671 18.342 23.8046 TIMING: 4768800 CPU: 14318.8, 0.00295734/step Wall: 14318.8, 0.00295734/step, 0.189927 hours remaining, 207.953125 MB of memory in use. ENERGY: 4768800 727.3136 2054.7583 1934.7765 113.3211 -206105.5595 17727.7592 0.0000 0.0000 34469.0419 -149078.5889 301.0267 -183547.6308 -148976.6922 299.6693 -28.7773 2.8537 557458.4586 -7.6786 -7.8211 PRESSURE: 4769000 -93.8563 103.695 40.228 103.695 112.452 31.1586 40.2287 31.1579 -301.99 GPRESSURE: 4769000 -47.7158 68.7392 17.9637 189.401 66.5518 -2.77683 79.5983 -16.972 -210.031 PRESSAVG: 4769000 -62.968 26.5057 53.9575 26.5057 56.5487 8.89313 53.9574 8.89318 -17.5229 GPRESSAVG: 4769000 -64.1036 26.4846 52.4801 27.6356 57.0112 7.49046 56.2095 9.33414 -16.9221 TIMING: 4769000 CPU: 14319.4, 0.00295347/step Wall: 14319.4, 0.00295347/step, 0.189514 hours remaining, 207.953125 MB of memory in use. ENERGY: 4769000 798.9799 2085.0632 1938.1437 103.8289 -205975.5626 17771.7078 0.0000 0.0000 34277.8153 -149000.0238 299.3567 -183277.8391 -148907.8189 300.2521 -94.4648 -63.7316 557667.7642 -7.9807 -8.0048 PRESSURE: 4769200 -232.189 82.2702 118.855 82.2692 177.396 -15.0658 118.855 -15.0653 -42.8915 GPRESSURE: 4769200 -133.228 38.8652 106.071 92.1053 191.913 -80.6038 11.2944 72.6591 -50.2737 PRESSAVG: 4769200 -64.7629 1.73677 -22.635 1.73683 53.7725 24.2761 -22.6351 24.2761 -27.1134 GPRESSAVG: 4769200 -62.9239 -0.154946 -20.5704 0.59234 53.1955 22.8159 -24.8161 23.8973 -28.0078 TIMING: 4769200 CPU: 14320, 0.00297188/step Wall: 14320, 0.00297188/step, 0.190531 hours remaining, 207.953125 MB of memory in use. ENERGY: 4769200 739.6782 2074.4302 1955.3514 117.0840 -205766.9168 17585.2637 0.0000 0.0000 34164.7057 -149130.4036 298.3689 -183295.1093 -149042.2585 299.9722 -32.5613 2.8036 555628.0465 -12.7013 -12.5787 PRESSURE: 4769400 -288.674 -50.4287 -34.9818 -50.4283 -173.593 -17.7311 -34.9819 -17.7317 53.1291 GPRESSURE: 4769400 -280.098 -72.9129 13.4012 -16.3696 -109.207 -22.7563 -17.3001 62.0236 81.1639 PRESSAVG: 4769400 -8.42199 15.5505 8.44111 15.5506 62.4815 -13.1092 8.44115 -13.1092 10.7562 GPRESSAVG: 4769400 -8.77313 19.4416 7.52272 16.7868 62.2312 -11.9116 8.92185 -13.5441 10.9593 TIMING: 4769400 CPU: 14320.6, 0.00297207/step Wall: 14320.6, 0.00297207/step, 0.190377 hours remaining, 207.953125 MB of memory in use. ENERGY: 4769400 750.9488 2050.3048 1954.3332 110.3280 -205842.2920 17586.7889 0.0000 0.0000 34113.1697 -149276.4185 297.9188 -183389.5882 -149174.7319 299.6545 -136.3793 -102.7136 557313.7760 21.6052 21.4724 PRESSURE: 4769600 -64.3518 -117.415 -48.2029 -117.415 -203.67 147.376 -48.2047 147.377 4.26003 GPRESSURE: 4769600 -27.6847 -120.55 24.087 -101.745 -233.199 189.428 -125.129 98.2258 86.0839 PRESSAVG: 4769600 -41.4529 -18.9591 -22.2223 -18.9591 -23.212 61.6326 -22.2223 61.6326 37.5742 GPRESSAVG: 4769600 -42.6819 -21.6484 -19.6495 -19.7537 -22.4166 60.7886 -24.0663 62.9672 37.7803 TIMING: 4769600 CPU: 14321.2, 0.00296241/step Wall: 14321.2, 0.00296241/step, 0.189594 hours remaining, 207.953125 MB of memory in use. ENERGY: 4769600 763.0041 2094.0407 1927.5823 117.1024 -205781.5763 17631.6038 0.0000 0.0000 34178.8135 -149069.4296 298.4921 -183248.2431 -148976.4521 299.0125 -87.9206 -58.2665 558171.1339 -9.0302 -9.1061 PRESSURE: 4769800 -342.392 -47.1412 -109.517 -47.1403 -88.1931 28.6369 -109.516 28.637 -186.893 GPRESSURE: 4769800 -300.826 -72.1577 -192.339 68.4842 -59.6406 -5.32471 -66.5301 49.9388 -175.648 PRESSAVG: 4769800 -16.6915 -26.1615 -2.70209 -26.1614 60.0868 50.6527 -2.70222 50.6527 22.9621 GPRESSAVG: 4769800 -15.9787 -24.3576 -2.40638 -25.0322 60.6784 50.4743 -1.24607 51.4449 22.304 TIMING: 4769800 CPU: 14321.8, 0.00295877/step Wall: 14321.8, 0.00295877/step, 0.189197 hours remaining, 207.953125 MB of memory in use. ENERGY: 4769800 770.7260 2076.4487 1973.0762 113.2874 -205855.7321 17609.9490 0.0000 0.0000 34166.7192 -149145.5255 298.3865 -183312.2447 -149047.8161 299.7010 -205.8261 -178.7049 559079.8226 22.1191 22.3345 PRESSURE: 4770000 -30.8509 139.164 171.704 139.163 -160.986 91.6635 171.704 91.6637 -20.128 GPRESSURE: 4770000 17.6653 239.002 191.521 107.558 -151.004 33.9267 147.425 168.371 14.7304 PRESSAVG: 4770000 -15.0645 23.2301 -37.6499 23.2301 -15.4034 4.69559 -37.65 4.69561 26.993 GPRESSAVG: 4770000 -15.2253 23.5393 -40.7319 23.5114 -15.8971 4.20438 -37.9242 4.41494 27.6193 TIMING: 4770000 CPU: 14322.4, 0.00296271/step Wall: 14322.4, 0.00296271/step, 0.189284 hours remaining, 208.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4770000 738.8331 2051.3748 1956.6393 110.1976 -205998.6817 17733.7355 0.0000 0.0000 34310.2509 -149097.6505 299.6400 -183407.9014 -149007.7702 299.8671 -70.6551 -39.5363 558132.4266 -1.1583 -1.1677 PRESSURE: 4770200 1.71913 -0.844463 -86.7436 -0.843541 -75.6196 -85.079 -86.7428 -85.0784 -292.567 GPRESSURE: 4770200 30.7449 -54.0815 -18.1891 12.2923 -57.1818 -88.2912 -0.663732 -100.439 -240.193 PRESSAVG: 4770200 -0.66813 -26.8259 9.52534 -26.8258 40.6529 14.232 9.52537 14.232 -34.0249 GPRESSAVG: 4770200 -0.458943 -28.5967 11.4346 -27.237 41.6024 15.4802 9.05187 12.9828 -35.292 TIMING: 4770200 CPU: 14323, 0.00298926/step Wall: 14323, 0.00298926/step, 0.190815 hours remaining, 208.011719 MB of memory in use. ENERGY: 4770200 700.7493 2063.2645 1937.1744 112.8264 -205668.9481 17555.9522 0.0000 0.0000 34157.0428 -149141.9384 298.3019 -183298.9812 -149045.2753 299.7364 -122.1558 -88.8765 557349.4246 1.9866 1.9505 PRESSURE: 4770400 -324.081 -19.1879 -87.0563 -19.1884 -70.6192 -89.654 -87.0567 -89.6548 139.319 GPRESSURE: 4770400 -305.129 -36.0735 -90.8505 -37.6032 -7.03894 -95.4658 -34.736 -140.028 139.871 PRESSAVG: 4770400 -60.5149 -5.29261 2.10795 -5.29265 47.051 10.5385 2.10795 10.5386 -2.80202 GPRESSAVG: 4770400 -60.8616 -3.73321 -0.148786 -5.2812 45.2045 13.2474 3.12514 9.70823 -0.750883 TIMING: 4770400 CPU: 14323.6, 0.00300354/step Wall: 14323.6, 0.00300354/step, 0.191559 hours remaining, 208.011719 MB of memory in use. ENERGY: 4770400 738.3357 2102.4626 1937.3748 117.9262 -205971.1685 17598.0176 0.0000 0.0000 34295.1483 -149181.9033 299.5081 -183477.0517 -149084.8080 299.5439 -85.1272 -57.4324 557636.3705 -5.4220 -5.4693 PRESSURE: 4770600 -85.9567 -136.44 -158.455 -136.44 115.423 -161.222 -158.454 -161.222 -210.827 GPRESSURE: 4770600 -68.7687 -96.0928 -93.8754 -130.958 125.079 -159.936 -85.2537 -116.748 -148.705 PRESSAVG: 4770600 10.9553 10.3836 -43.3505 10.3834 22.0128 -51.8566 -43.3505 -51.8565 -32.8759 GPRESSAVG: 4770600 9.99927 9.68804 -43.3495 10.4294 23.097 -55.362 -43.7711 -50.4847 -33.1624 TIMING: 4770600 CPU: 14324.2, 0.00301381/step Wall: 14324.2, 0.00301381/step, 0.192047 hours remaining, 208.078125 MB of memory in use. ENERGY: 4770600 711.9329 2017.8469 1951.6696 116.8364 -206030.5581 17862.5557 0.0000 0.0000 34257.1819 -149112.5346 299.1765 -183369.7165 -149011.7498 298.8816 -60.4535 -30.7980 559163.8603 0.0307 -0.0220 PRESSURE: 4770800 -55.4263 -43.5257 -17.0835 -43.5265 -217.302 -155.381 -17.0845 -155.382 -212.37 GPRESSURE: 4770800 -24.2568 -50.6459 71.1361 -67.5064 -189.387 -128.408 -126.051 -234.856 -177.666 PRESSAVG: 4770800 73.5245 -6.86657 -1.53779 -6.86652 71.7063 -81.6028 -1.53777 -81.6028 -134.16 GPRESSAVG: 4770800 74.7382 -7.81701 -0.803324 -6.37778 70.3834 -79.7258 -1.46966 -82.9277 -134.198 TIMING: 4770800 CPU: 14324.8, 0.0029816/step Wall: 14324.8, 0.0029816/step, 0.189829 hours remaining, 208.078125 MB of memory in use. ENERGY: 4770800 766.7215 2039.9386 1936.3730 117.7619 -206042.4710 17679.6651 0.0000 0.0000 34472.3168 -149029.6942 301.0553 -183502.0110 -148926.5809 300.0389 -161.6994 -130.4369 557383.2438 3.6903 3.6413 PRESSURE: 4771000 -181.239 49.7812 -13.2731 49.7821 -258.034 -1.22692 -13.2726 -1.22633 237.37 GPRESSURE: 4771000 -144.716 -8.82542 41.2457 102.706 -197.03 -99.2328 13.5341 68.3285 224.47 PRESSAVG: 4771000 22.7374 6.84125 -8.01371 6.84131 -81.6873 0.265084 -8.01373 0.265077 29.3444 GPRESSAVG: 4771000 23.1555 8.76446 -7.3635 5.3911 -81.8008 -2.18302 -7.38364 2.91584 29.1745 TIMING: 4771000 CPU: 14325.4, 0.00301213/step Wall: 14325.4, 0.00301213/step, 0.191605 hours remaining, 208.078125 MB of memory in use. ENERGY: 4771000 761.8068 2040.5053 1941.8058 108.8414 -205901.6465 17624.4934 0.0000 0.0000 34259.0304 -149165.1634 299.1926 -183424.1937 -149072.2715 299.0236 -67.3010 -39.0918 557888.0166 -9.8685 -9.8236 PRESSURE: 4771200 -39.8964 -71.1038 -152.4 -71.1034 68.1883 76.8365 -152.4 76.8361 -110.6 GPRESSURE: 4771200 -20.0435 -115.149 -144.99 -111.791 74.9174 36.4893 -88.7982 166.453 -46.2642 PRESSAVG: 4771200 23.6254 -37.4359 -32.422 -37.4359 -5.68599 -75.2113 -32.4221 -75.2113 14.4204 GPRESSAVG: 4771200 21.4895 -38.4429 -32.5692 -37.1004 -5.11839 -73.3134 -33.8657 -76.7064 15.5169 TIMING: 4771200 CPU: 14326, 0.0029996/step Wall: 14326, 0.0029996/step, 0.190641 hours remaining, 208.078125 MB of memory in use. ENERGY: 4771200 747.9740 2110.6677 1903.8862 110.4090 -205859.8088 17756.2118 0.0000 0.0000 34175.5406 -149055.1195 298.4635 -183230.6601 -148964.6581 299.4439 -27.4360 2.8699 556445.4336 10.7866 10.6293 PRESSURE: 4771400 -309.844 23.7122 -20.9159 23.7125 -201.709 -159.531 -20.9159 -159.531 -403.862 GPRESSURE: 4771400 -262.228 56.8589 83.618 18.3296 -161.598 -188.505 -83.0005 -210.999 -408.204 PRESSAVG: 4771400 -9.73375 -63.6206 -39.1497 -63.6208 29.9969 1.21214 -39.1497 1.21205 -1.74133 GPRESSAVG: 4771400 -8.42604 -64.3539 -39.174 -63.0751 29.3942 1.50969 -39.1601 -0.113987 -2.20993 TIMING: 4771400 CPU: 14326.6, 0.00301145/step Wall: 14326.6, 0.00301145/step, 0.191227 hours remaining, 208.078125 MB of memory in use. ENERGY: 4771400 738.0083 2089.1327 1911.6894 106.5643 -205807.9811 17453.7960 0.0000 0.0000 34463.6072 -149045.1832 300.9793 -183508.7904 -148949.4559 299.2189 -305.1381 -277.3435 557967.9228 6.1739 6.2528 PRESSURE: 4771600 9.38685 10.4649 -7.48926 10.4655 -175.737 114.756 -7.48819 114.754 -219.044 GPRESSURE: 4771600 22.5097 -32.5474 33.8103 70.6215 -140.477 155.964 -75.2156 55.7576 -175.985 PRESSAVG: 4771600 -47.4251 -3.58764 -8.93895 -3.58754 85.2852 -1.19163 -8.93892 -1.19166 -43.1111 GPRESSAVG: 4771600 -46.7584 -1.58363 -10.2347 -3.60282 84.8862 -0.923868 -8.01553 0.590558 -43.6415 TIMING: 4771600 CPU: 14327.2, 0.00299936/step Wall: 14327.2, 0.00299936/step, 0.190293 hours remaining, 208.078125 MB of memory in use. ENERGY: 4771600 746.5779 2092.8227 1923.1127 109.6203 -206080.8242 17648.9272 0.0000 0.0000 34393.3577 -149166.4056 300.3657 -183559.7634 -149066.0153 300.2932 -128.4649 -97.9841 555869.8670 -1.7503 -1.8379 PRESSURE: 4771800 -288.713 -97.0795 -74.674 -97.0784 -215.215 44.3566 -74.6741 44.3589 -207.902 GPRESSURE: 4771800 -262.352 -102.791 -62.6407 -56.032 -144.476 -8.8449 -14.0173 45.7968 -223.234 PRESSAVG: 4771800 36.5984 -11.6209 -17.0959 -11.6208 68.1463 4.59569 -17.0959 4.59572 -30.4273 GPRESSAVG: 4771800 35.8407 -12.7639 -15.6654 -10.0462 69.0394 3.05774 -16.7874 3.30933 -30.8262 TIMING: 4771800 CPU: 14327.8, 0.00298859/step Wall: 14327.8, 0.00298859/step, 0.189444 hours remaining, 208.078125 MB of memory in use. ENERGY: 4771800 770.6473 2015.2165 1944.2024 116.9401 -205923.3195 17636.7172 0.0000 0.0000 34438.0647 -149001.5313 300.7562 -183439.5960 -148900.1401 299.7907 -237.2763 -210.0206 558799.6495 24.7725 24.6846 PRESSURE: 4772000 -241.61 -100.452 106.084 -100.453 -292.648 -146.734 106.084 -146.735 -262.786 GPRESSURE: 4772000 -150.382 -85.3891 86.6421 -178.134 -328.112 -115.058 9.76476 -146.875 -227.247 PRESSAVG: 4772000 -85.0045 -0.217691 14.9517 -0.217721 64.4261 -30.9019 14.9518 -30.9018 17.4734 GPRESSAVG: 4772000 -85.5686 0.948825 14.2829 -3.0562 64.2335 -29.0277 12.9168 -31.6105 18.3866 TIMING: 4772000 CPU: 14328.4, 0.00297373/step Wall: 14328.4, 0.00297373/step, 0.188336 hours remaining, 208.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4772000 772.6920 2088.0562 1955.4874 109.9187 -205445.8857 17258.4886 0.0000 0.0000 34316.4995 -148944.7433 299.6945 -183261.2428 -148847.9521 299.6354 -265.6814 -235.2469 559750.0617 -1.0350 -0.9828 PRESSURE: 4772200 -26.2089 50.2553 -14.2431 50.255 -262.506 -69.9183 -14.2433 -69.9195 121.071 GPRESSURE: 4772200 29.5376 79.7176 15.4286 25.5878 -249.669 -15.0377 -74.9667 -83.4012 148.479 PRESSAVG: 4772200 -22.666 19.6898 -12.5421 19.6898 27.9193 -16.0015 -12.5421 -16.0015 38.8573 GPRESSAVG: 4772200 -22.0737 19.6541 -11.4947 19.0314 28.3339 -18.1101 -13.5854 -16.1227 38.2619 TIMING: 4772200 CPU: 14329, 0.00301347/step Wall: 14329, 0.00301347/step, 0.190686 hours remaining, 208.078125 MB of memory in use. ENERGY: 4772200 770.2640 2097.2700 1937.7394 120.7095 -205836.3581 17738.5389 0.0000 0.0000 34353.0807 -148818.7556 300.0140 -183171.8362 -148721.2864 300.3829 -55.8810 -23.8840 559736.6211 14.7035 14.8407 LDB: ============= START OF LOAD BALANCING ============== 14332.5 LDB: ============== END OF LOAD BALANCING =============== 14332.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14332.5 LDB: ============= START OF LOAD BALANCING ============== 14332.8 LDB: Largest compute 4773 load 0.027830 is 23.6% of average load 0.118162 LDB: Average compute 0.001720 is 1.5% of average load 0.118162 LDB: TIME 14332.8 LOAD: AVG 0.118162 MAX 0.212903 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.004 MB LDB: TIME 14332.8 LOAD: AVG 0.118162 MAX 0.212903 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.074 MB LDB: TIME 14332.8 LOAD: AVG 0.118162 MAX 0.212903 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.074 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14332.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14332.8 PRESSURE: 4772400 -123.434 -118.716 -58.4611 -118.717 -102.2 102.606 -58.4603 102.605 37.8693 GPRESSURE: 4772400 -76.889 -134.189 -63.3525 -113.222 -43.223 151.76 -101.332 41.9415 37.4959 PRESSAVG: 4772400 41.7659 37.9589 -32.0508 37.9589 -14.7486 2.16569 -32.0509 2.16575 -18.007 GPRESSAVG: 4772400 41.2454 37.1265 -32.9546 39.9002 -13.764 3.0043 -28.8349 2.07938 -18.1899 TIMING: 4772400 CPU: 14329.6, 0.00304462/step Wall: 14329.6, 0.00304462/step, 0.192487 hours remaining, 210.062500 MB of memory in use. ENERGY: 4772400 799.5804 2119.2009 1937.8841 123.0572 -206219.0050 17927.9134 0.0000 0.0000 34346.2714 -148965.0976 299.9545 -183311.3690 -148862.8579 300.1943 -62.5882 -27.5387 559061.6357 3.0035 3.0972 PRESSURE: 4772600 71.0736 97.6512 190.206 97.6519 0.605639 -32.3672 190.208 -32.3667 -70.2151 GPRESSURE: 4772600 113.244 47.585 173.635 89.0884 39.5989 75.2137 113.002 -81.9141 -58.0931 PRESSAVG: 4772600 21.6884 22.0425 16.1587 22.0425 -12.0579 11.6064 16.1589 11.6065 47.2397 GPRESSAVG: 4772600 23.0873 22.7674 16.2169 20.7951 -13.882 11.5096 16.172 13.2175 47.4343 TIMING: 4772600 CPU: 14330.2, 0.00299845/step Wall: 14330.2, 0.00299845/step, 0.189402 hours remaining, 210.132812 MB of memory in use. ENERGY: 4772600 736.4283 2074.1406 1928.6682 116.3896 -205918.9961 17769.5227 0.0000 0.0000 34442.6356 -148851.2112 300.7961 -183293.8467 -148757.2104 300.4827 0.4881 31.5832 558724.2838 18.9567 18.8799 PRESSURE: 4772800 219.111 11.4902 16.0949 11.4883 -57.5492 118.311 16.0931 118.311 133.93 GPRESSURE: 4772800 175.605 7.22677 27.9729 -20.1717 -2.38569 169.179 43.9838 187.404 206.843 PRESSAVG: 4772800 27.4115 21.2197 25.2277 21.2197 -50.114 29.7182 25.2276 29.7182 9.30249 GPRESSAVG: 4772800 26.6072 19.8645 26.2199 22.192 -49.1421 31.061 24.2487 27.8934 8.83558 TIMING: 4772800 CPU: 14330.8, 0.00298986/step Wall: 14330.8, 0.00298986/step, 0.188694 hours remaining, 210.132812 MB of memory in use. ENERGY: 4772800 701.7061 2051.8020 1943.4828 120.6898 -205964.2651 17871.5097 0.0000 0.0000 34262.8581 -149012.2165 299.2261 -183275.0746 -148910.5006 300.0804 98.4974 126.6875 558348.1533 -4.4667 -4.5664 PRESSURE: 4773000 -200.479 12.8522 -24.0456 12.8521 38.3739 -120.797 -24.0465 -120.797 -145.435 GPRESSURE: 4773000 -150.975 38.4514 -91.2378 -70.2802 103.277 -84.0908 -1.411 -120.353 -159.357 PRESSAVG: 4773000 -14.0206 -4.134 29.0187 -4.13392 -16.152 9.27176 29.0187 9.27173 37.5178 GPRESSAVG: 4773000 -14.3259 -1.98022 26.6716 -4.51296 -15.4052 8.42559 29.5114 10.6358 36.8905 TIMING: 4773000 CPU: 14331.4, 0.00298912/step Wall: 14331.4, 0.00298912/step, 0.188481 hours remaining, 210.132812 MB of memory in use. ENERGY: 4773000 737.7857 2097.7856 1921.9072 120.2684 -205968.9092 17735.1054 0.0000 0.0000 34413.3205 -148942.7364 300.5401 -183356.0569 -148847.6037 299.2952 -102.5132 -69.0183 558503.0581 2.4484 2.3865 PRESSURE: 4773200 -81.5921 -128.907 36.2858 -128.907 96.2395 -72.9121 36.2859 -72.9126 96.7708 GPRESSURE: 4773200 -74.9486 -174.51 61.2416 -108.434 141.028 -56.5089 34.6986 -101.528 141.712 PRESSAVG: 4773200 -76.5367 -20.107 -18.1423 -20.1069 101.084 3.52808 -18.1423 3.52805 -68.2981 GPRESSAVG: 4773200 -76.4988 -23.6219 -16.504 -16.8319 100.169 -0.52438 -19.3045 6.35121 -67.8031 TIMING: 4773200 CPU: 14332, 0.00297758/step Wall: 14332, 0.00297758/step, 0.187587 hours remaining, 210.132812 MB of memory in use. ENERGY: 4773200 768.3048 2111.7145 1935.7829 110.9562 -205895.1598 17795.4136 0.0000 0.0000 34313.4993 -148859.4885 299.6683 -183172.9877 -148756.8525 300.1582 37.1394 69.2636 557701.8409 -14.5837 -14.7110 PRESSURE: 4773400 -53.6025 -42.3944 85.8048 -42.3934 -115.081 -90.0741 85.8058 -90.074 -157.302 GPRESSURE: 4773400 -23.3461 -112.377 98.2737 -64.5282 -76.2479 -34.9742 9.97666 -144.231 -125.065 PRESSAVG: 4773400 72.6606 -59.7408 51.4491 -59.7408 30.0873 22.3523 51.4492 22.3522 -34.5972 GPRESSAVG: 4773400 71.5768 -57.6621 49.7946 -64.9264 30.9982 25.5255 52.2641 20.1123 -34.4119 TIMING: 4773400 CPU: 14332.6, 0.00299099/step Wall: 14332.6, 0.00299099/step, 0.188266 hours remaining, 210.132812 MB of memory in use. ENERGY: 4773400 730.0945 2094.7148 1947.4934 103.0583 -205857.8000 17651.1967 0.0000 0.0000 34209.1471 -149122.0953 298.7570 -183331.2424 -149028.9967 299.7497 -108.6619 -74.8863 558587.9481 22.7169 22.7210 PRESSURE: 4773600 -346.901 -154.551 34.4815 -154.552 -53.5489 164.505 34.4832 164.507 -39.7557 GPRESSURE: 4773600 -280.095 -118.709 145.324 -199.887 -9.62415 128.662 -55.0446 54.3735 -43.2947 PRESSAVG: 4773600 -8.93746 19.8206 43.6303 19.8206 23.7017 22.0976 43.6302 22.0976 -39.4472 GPRESSAVG: 4773600 -8.15693 18.6219 44.6264 21.9798 23.3304 21.7366 42.1056 21.8684 -40.0644 TIMING: 4773600 CPU: 14333.2, 0.00301004/step Wall: 14333.2, 0.00301004/step, 0.189298 hours remaining, 210.132812 MB of memory in use. ENERGY: 4773600 753.6844 2078.0027 1953.0215 116.9069 -206275.7019 17848.0645 0.0000 0.0000 34365.8778 -149160.1441 300.1258 -183526.0220 -149067.6591 298.8880 -146.7351 -111.0047 559569.4089 -8.2277 -8.2970 PRESSURE: 4773800 135.163 133.598 245.088 133.599 218.576 -191.882 245.089 -191.878 -94.1854 GPRESSURE: 4773800 171.534 122.531 283.661 116.023 234.887 -152.495 221.282 -213.563 -50.1681 PRESSAVG: 4773800 -8.88839 0.788462 16.4317 0.788445 69.1069 -18.8761 16.4317 -18.8762 -43.9164 GPRESSAVG: 4773800 -9.77294 2.0448 16.2753 0.81974 68.6989 -19.5243 15.9402 -19.7835 -43.7612 TIMING: 4773800 CPU: 14333.8, 0.00297176/step Wall: 14333.8, 0.00297176/step, 0.186725 hours remaining, 210.132812 MB of memory in use. ENERGY: 4773800 714.8921 2100.4421 1964.6455 118.4664 -206182.6607 17957.6934 0.0000 0.0000 34127.8153 -149198.7059 298.0467 -183326.5212 -149106.0462 299.7153 86.5178 118.7509 558898.3318 5.4341 5.0549 PRESSURE: 4774000 -93.274 196.356 -38.8318 196.359 -0.615053 85.4428 -38.834 85.4417 -321.271 GPRESSURE: 4774000 -39.6329 157.258 -42.795 211.149 -3.7207 12.2567 -39.9293 77.1588 -287.055 PRESSAVG: 4774000 -22.5718 -7.6543 -2.22592 -7.65437 11.638 8.41375 -2.22593 8.41373 -13.2877 GPRESSAVG: 4774000 -21.8116 -9.27675 -2.10805 -5.98717 10.9772 7.20622 -0.757759 8.49279 -13.4455 TIMING: 4774000 CPU: 14334.4, 0.00296896/step Wall: 14334.4, 0.00296896/step, 0.186385 hours remaining, 210.132812 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 783.7030 2006.7963 1923.2529 116.9197 -205931.5368 17776.0233 0.0000 0.0000 34234.3953 -149090.4462 298.9775 -183324.8415 -148993.8817 299.4084 -138.3868 -110.1362 558543.3623 -8.0738 -8.0933 PRESSURE: 4774200 -17.9827 -110.808 -8.66078 -110.808 -181.988 51.3315 -8.66187 51.3306 -310.115 GPRESSURE: 4774200 -7.6579 -91.7864 2.4859 -131.793 -149.975 61.8529 -14.3167 -12.9248 -254.258 PRESSAVG: 4774200 54.2851 -94.807 20.2591 -94.807 -20.6442 30.3261 20.2592 30.3262 -18.7588 GPRESSAVG: 4774200 53.8461 -94.7418 20.9978 -95.8064 -20.805 28.6585 19.623 31.5713 -18.3789 TIMING: 4774200 CPU: 14335, 0.00295092/step Wall: 14335, 0.00295092/step, 0.185088 hours remaining, 210.132812 MB of memory in use. ENERGY: 4774200 755.8139 2039.8401 1925.5712 111.3660 -206094.8893 17657.2226 0.0000 0.0000 34210.6788 -149394.3968 298.7704 -183605.0756 -149298.6034 298.8738 -170.0287 -137.2971 558063.1247 4.9607 4.8874 PRESSURE: 4774400 105.521 -58.7324 -58.3219 -58.733 58.8566 16.3177 -58.3232 16.3177 26.8418 GPRESSURE: 4774400 174.179 -115.788 -113.46 -18.2879 82.5796 135.336 27.8018 -18.1393 36.8212 PRESSAVG: 4774400 49.7806 -76.1047 -15.369 -76.1047 -10.7189 28.0681 -15.3691 28.0681 -46.719 GPRESSAVG: 4774400 50.1048 -76.745 -17.0285 -75.9135 -9.8931 31.0411 -14.9232 27.9222 -48.3164 TIMING: 4774400 CPU: 14335.6, 0.00297028/step Wall: 14335.6, 0.00297028/step, 0.186138 hours remaining, 210.132812 MB of memory in use. ENERGY: 4774400 732.5680 2047.1260 1937.8264 114.9417 -206149.9192 17993.2281 0.0000 0.0000 33946.1597 -149378.0694 296.4603 -183324.2291 -149278.4799 298.8718 63.7398 97.8599 557629.3404 -2.5524 -2.7016 PRESSURE: 4774600 23.4416 -196.328 34.4421 -196.329 205.951 -29.428 34.4427 -29.4287 -0.767531 GPRESSURE: 4774600 85.8502 -197.075 89.0478 -175.055 249.901 -22.7778 -8.21187 130.206 -38.2178 PRESSAVG: 4774600 73.4907 -23.8312 20.964 -23.8312 -28.1071 20.5379 20.9638 20.538 -14.827 GPRESSAVG: 4774600 73.9339 -21.8453 23.5718 -24.1233 -29.5274 18.7471 20.6055 21.5399 -13.8642 TIMING: 4774600 CPU: 14336.2, 0.00297434/step Wall: 14336.2, 0.00297434/step, 0.186227 hours remaining, 210.132812 MB of memory in use. ENERGY: 4774600 731.3100 2007.7327 1944.6870 111.2881 -206320.7746 17900.3094 0.0000 0.0000 34273.1368 -149352.3106 299.3158 -183625.4474 -149258.5697 299.3787 76.2084 99.1779 558387.2185 10.1855 10.1808 PRESSURE: 4774800 -263.711 48.9507 -60.6879 48.9511 -126.378 242.806 -60.6874 242.807 -323.349 GPRESSURE: 4774800 -274.507 -31.3998 -47.9056 129.428 -83.5052 306.675 -11.697 260.28 -252.688 PRESSAVG: 4774800 -18.473 4.14147 18.0123 4.14151 42.7955 33.5346 18.0123 33.5346 -12.5348 GPRESSAVG: 4774800 -18.2231 3.22189 17.2123 4.28255 44.2233 35.5682 17.226 30.5088 -13.7409 TIMING: 4774800 CPU: 14336.8, 0.00298071/step Wall: 14336.8, 0.00298071/step, 0.18646 hours remaining, 210.132812 MB of memory in use. ENERGY: 4774800 728.0861 2065.4828 1933.7461 108.6750 -205744.7602 17387.7080 0.0000 0.0000 34055.4349 -149465.6274 297.4146 -183521.0623 -149367.7340 298.1466 -237.8126 -203.5665 558638.4167 3.9292 4.0864 PRESSURE: 4775000 -23.8921 -129.432 3.92155 -129.432 85.7595 101.551 3.92311 101.55 294.186 GPRESSURE: 4775000 85.345 -88.9317 90.271 -111.749 107.541 173.619 55.0526 12.3685 263.485 PRESSAVG: 4775000 -42.186 68.2735 32.6047 68.2735 56.5311 15.2744 32.6047 15.2745 -20.2662 GPRESSAVG: 4775000 -42.1272 68.6476 31.7921 66.5678 56.3259 16.0231 34.2969 15.2314 -20.1102 TIMING: 4775000 CPU: 14337.4, 0.00295651/step Wall: 14337.4, 0.00295651/step, 0.184782 hours remaining, 210.132812 MB of memory in use. ENERGY: 4775000 772.4581 2018.1616 1959.0182 108.5203 -206910.7131 18179.1634 0.0000 0.0000 34264.7825 -149608.6090 299.2429 -183873.3916 -149520.0223 298.1572 118.6844 152.1236 556703.8647 -1.9737 -1.9705 PRESSURE: 4775200 -60.2399 13.0275 125.8 13.0268 -167.051 12.6935 125.799 12.6935 14.5212 GPRESSURE: 4775200 -36.342 36.7678 194.47 -12.3517 -115.136 -79.8944 83.2694 98.9831 50.1708 PRESSAVG: 4775200 -13.6172 29.6867 28.4171 29.6867 -28.6441 60.762 28.4171 60.762 13.4022 GPRESSAVG: 4775200 -14.4791 29.8354 28.8589 30.5558 -28.3272 59.5562 27.6944 62.113 13.7405 TIMING: 4775200 CPU: 14337.9, 0.002992/step Wall: 14337.9, 0.002992/step, 0.186834 hours remaining, 210.132812 MB of memory in use. ENERGY: 4775200 725.0447 2070.3011 1902.9857 109.9556 -206128.2078 17686.5733 0.0000 0.0000 34051.0686 -149582.2790 297.3765 -183633.3476 -149494.7937 297.7964 -70.9232 -33.7690 557978.5815 -9.6197 -9.6886 PRESSURE: 4775400 -4.12709 -99.6476 -80.2453 -99.6479 -122.404 -103.971 -80.2456 -103.97 -48.961 GPRESSURE: 4775400 6.33192 -36.0021 -47.7157 -191.439 -161.937 -137.674 -93.8881 -161.678 73.3875 PRESSAVG: 4775400 40.0427 -0.931882 49.3014 -0.931862 -44.69 -15.3586 49.3015 -15.3585 -11.9715 GPRESSAVG: 4775400 40.0491 -1.72516 49.5754 0.519179 -45.6406 -14.8195 48.8089 -16.5649 -11.1341 TIMING: 4775400 CPU: 14338.5, 0.00295725/step Wall: 14338.5, 0.00295725/step, 0.184499 hours remaining, 210.132812 MB of memory in use. ENERGY: 4775400 753.1142 2081.5267 1931.0659 107.5321 -206440.8996 17794.7146 0.0000 0.0000 34184.2015 -149588.7447 298.5391 -183772.9462 -149488.5063 298.2040 -58.4973 -27.4060 557917.5095 -5.5396 -5.5752 PRESSURE: 4775600 -2.96693 -63.5876 -47.3332 -63.5892 194.767 -96.5379 -47.3331 -96.537 -54.3052 GPRESSURE: 4775600 8.24931 -18.1998 48.5375 -153.806 188.084 -90.0553 -31.5417 -82.0474 29.2481 PRESSAVG: 4775600 18.1604 14.2945 -25.0492 14.2945 42.1662 -75.5201 -25.0492 -75.5202 -30.5007 GPRESSAVG: 4775600 17.9317 16.4137 -24.4161 11.8854 42.7225 -75.6902 -24.7742 -75.5785 -30.7385 TIMING: 4775600 CPU: 14339.1, 0.00293889/step Wall: 14339.1, 0.00293889/step, 0.183191 hours remaining, 210.132812 MB of memory in use. ENERGY: 4775600 735.2887 2052.8614 1925.5889 111.2508 -206207.5083 17590.9754 0.0000 0.0000 34084.8690 -149706.6742 297.6716 -183791.5432 -149608.4779 298.5909 45.8317 75.1939 555004.0092 9.9419 9.9719 PRESSURE: 4775800 61.6127 -12.6532 5.25881 -12.6532 -107.597 22.0686 5.25855 22.0676 1.94935 GPRESSURE: 4775800 68.065 -51.6784 -35.4348 -32.2286 -66.4586 120.83 20.2677 -27.339 42.3793 PRESSAVG: 4775800 6.02071 30.002 17.6704 30.002 -37.7878 23.0392 17.6704 23.0393 21.84 GPRESSAVG: 4775800 5.45071 28.4917 15.9097 31.0444 -36.7297 21.2412 17.4141 24.5441 20.8064 TIMING: 4775800 CPU: 14339.7, 0.00298421/step Wall: 14339.7, 0.00298421/step, 0.18585 hours remaining, 210.132812 MB of memory in use. ENERGY: 4775800 749.0404 2063.5602 1930.4416 113.3400 -205980.5719 17788.1188 0.0000 0.0000 33998.4158 -149337.6550 296.9166 -183336.0708 -149242.9551 298.1428 -14.6784 14.6619 557907.5351 -3.3090 -3.4909 PRESSURE: 4776000 -259.786 45.2832 -105.088 45.2844 -230.147 -76.5147 -105.088 -76.5145 -234.313 GPRESSURE: 4776000 -173.859 43.7236 -118.089 88.1008 -212.651 -80.5908 -94.8943 -67.5506 -237.04 PRESSAVG: 4776000 39.7473 -33.4855 46.0387 -33.4855 14.1496 -17.9582 46.0387 -17.9582 -47.3266 GPRESSAVG: 4776000 40.951 -33.7671 44.899 -32.4546 12.844 -18.6311 47.6411 -18.9321 -47.3503 TIMING: 4776000 CPU: 14340.3, 0.00299128/step Wall: 14340.3, 0.00299128/step, 0.186124 hours remaining, 210.375000 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: 4776000 733.2790 2083.4409 1943.5018 97.7837 -206091.9553 17459.7139 0.0000 0.0000 34307.2594 -149466.9765 299.6138 -183774.2359 -149370.7831 298.2768 -241.4156 -207.8499 557598.0067 2.1901 2.1482 PRESSURE: 4776200 -81.6195 27.463 82.7855 27.4646 41.7294 81.3297 82.7869 81.3282 -268.684 GPRESSURE: 4776200 -94.7661 -6.54792 94.3496 43.9257 49.0832 39.7577 39.3608 144.673 -174.006 PRESSAVG: 4776200 -68.7446 31.3982 42.0998 31.3982 52.9429 1.4333 42.0998 1.43334 -29.8017 GPRESSAVG: 4776200 -70.0305 31.9173 44.4519 29.0698 52.7755 3.51499 41.5917 0.00508835 -28.8424 TIMING: 4776200 CPU: 14340.9, 0.00300274/step Wall: 14340.9, 0.00300274/step, 0.18667 hours remaining, 210.375000 MB of memory in use. ENERGY: 4776200 784.5359 1994.5422 1941.0234 95.7145 -206063.5019 17751.8461 0.0000 0.0000 34123.9376 -149371.9022 298.0128 -183495.8399 -149279.3219 297.9458 -102.8581 -73.2295 557496.4132 -15.2012 -15.3658 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 4773 load 0.027707 is 23.4% of average load 0.118264 LDB: Average compute 0.001722 is 1.5% of average load 0.118264 LDB: TIME 14344.7 LOAD: AVG 0.118264 MAX 0.212097 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.508 MB LDB: TIME 14344.7 LOAD: AVG 0.118264 MAX 0.212097 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.508 MB LDB: TIME 14344.7 LOAD: AVG 0.118264 MAX 0.212097 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.508 MB 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 ================ 14344.8 PRESSURE: 4776400 -185.576 -28.5128 -30.9814 -28.5139 48.108 -51.8313 -30.9826 -51.8304 -21.3649 GPRESSURE: 4776400 -169.236 -7.55346 -40.8118 -48.033 78.8668 -14.7481 9.88173 -107.043 14.6221 PRESSAVG: 4776400 -21.0696 32.4241 34.7594 32.4241 85.6332 22.6617 34.7595 22.6616 -61.7042 GPRESSAVG: 4776400 -21.3334 32.2677 34.7886 34.4881 86.7361 23.8173 33.735 21.5033 -62.0804 TIMING: 4776400 CPU: 14341.5, 0.00304645/step Wall: 14341.5, 0.00304645/step, 0.189218 hours remaining, 210.062500 MB of memory in use. ENERGY: 4776400 741.4887 2058.5407 1972.0256 119.7581 -206088.5488 17644.9331 0.0000 0.0000 34164.7173 -149387.0854 298.3690 -183551.8028 -149290.7112 299.1431 -52.9442 -25.2490 557658.2064 0.9531 1.1074 PRESSURE: 4776600 33.4712 -122.349 -120.257 -122.351 276.637 208.716 -120.257 208.717 155.043 GPRESSURE: 4776600 93.0055 -147.851 -189.429 0.0776621 304.824 231.986 -178.209 240.419 142.069 PRESSAVG: 4776600 -10.0071 -15.7911 69.5218 -15.7911 20.3045 17.6298 69.5218 17.6298 -4.45561 GPRESSAVG: 4776600 -8.92366 -14.883 69.9633 -14.0283 19.1381 18.1642 69.4981 19.3169 -4.57844 TIMING: 4776600 CPU: 14342.1, 0.00298866/step Wall: 14342.1, 0.00298866/step, 0.185463 hours remaining, 210.074219 MB of memory in use. ENERGY: 4776600 716.5533 2057.0785 1938.3381 124.2925 -206249.1360 18044.1427 0.0000 0.0000 34097.0619 -149271.6691 297.7781 -183368.7310 -149175.7027 298.8479 155.0505 179.9664 558167.6366 1.9472 1.8787 PRESSURE: 4776800 -25.1066 -101.241 -13.9689 -101.241 27.6858 69.7524 -13.9698 69.7509 -41.326 GPRESSURE: 4776800 34.1506 -59.5891 47.6302 -101.523 62.3303 26.2102 -95.6619 66.3247 -30.8886 PRESSAVG: 4776800 10.1515 -79.2173 8.79467 -79.2174 19.9809 16.4796 8.79462 16.4796 0.328943 GPRESSAVG: 4776800 9.27086 -77.8887 8.09331 -81.1168 19.7329 15.6407 10.082 15.6696 1.68528 TIMING: 4776800 CPU: 14342.7, 0.00297561/step Wall: 14342.7, 0.00297561/step, 0.184488 hours remaining, 210.074219 MB of memory in use. ENERGY: 4776800 732.7109 2038.8989 1950.1059 108.2728 -206527.0464 18007.4563 0.0000 0.0000 34399.7559 -149289.8457 300.4216 -183689.6015 -149198.0663 298.2954 -12.9156 21.8641 559133.3095 10.1538 10.2297 PRESSURE: 4777000 -167.277 43.3545 92.5866 43.3558 -61.0013 58.8625 92.5866 58.8613 -114.078 GPRESSURE: 4777000 -117.731 122.067 125.332 -105.239 -48.3378 52.1444 174.271 50.5815 -86.8255 PRESSAVG: 4777000 2.22899 -9.03263 35.8318 -9.03262 43.3967 -65.3714 35.8318 -65.3715 -42.4182 GPRESSAVG: 4777000 2.48048 -9.08036 34.5324 -9.01483 44.2018 -66.5293 36.5246 -64.0052 -43.2882 TIMING: 4777000 CPU: 14343.3, 0.00296651/step Wall: 14343.3, 0.00296651/step, 0.183759 hours remaining, 210.074219 MB of memory in use. ENERGY: 4777000 719.6393 2108.4496 1952.1289 111.4851 -206329.1085 17663.7597 0.0000 0.0000 34245.5413 -149528.1045 299.0748 -183773.6458 -149440.6420 298.5230 -114.1187 -84.2980 558718.3213 1.0692 1.1313 PRESSURE: 4777200 286.628 139.22 -152.267 139.219 81.8465 143.777 -152.267 143.776 212.049 GPRESSURE: 4777200 297.216 56.9066 -149.585 150.907 138.921 87.6667 -181.371 178.797 247.715 PRESSAVG: 4777200 -53.5605 -20.8665 -2.24066 -20.8665 -26.3452 6.82593 -2.24073 6.82601 57.7174 GPRESSAVG: 4777200 -52.6251 -22.4884 -0.871498 -19.5 -26.3609 7.56942 -4.17888 6.93239 57.2084 TIMING: 4777200 CPU: 14343.9, 0.00295114/step Wall: 14343.9, 0.00295114/step, 0.182643 hours remaining, 210.074219 MB of memory in use. ENERGY: 4777200 722.1719 2036.3310 1937.7584 121.8253 -206689.4471 18175.9078 0.0000 0.0000 34251.1781 -149444.2746 299.1241 -183695.4527 -149346.0338 298.7088 193.5080 227.9506 558811.9418 -7.3961 -7.2592 PRESSURE: 4777400 18.1776 -78.9307 -122.924 -78.9299 -173.298 57.8302 -122.924 57.8301 25.8687 GPRESSURE: 4777400 65.1307 -73.1064 -206.711 -168.289 -152.843 35.4848 -15.5349 -13.7315 55.4939 PRESSAVG: 4777400 -28.8859 -24.8386 -14.8883 -24.8386 21.5688 27.7314 -14.8884 27.7314 24.2296 GPRESSAVG: 4777400 -27.4934 -24.5607 -14.587 -28.4702 20.6056 27.7079 -15.1378 25.0633 24.0855 TIMING: 4777400 CPU: 14344.5, 0.00299288/step Wall: 14344.5, 0.00299288/step, 0.18506 hours remaining, 210.074219 MB of memory in use. ENERGY: 4777400 734.8261 2075.0340 1959.9534 121.5749 -206288.2812 17809.8757 0.0000 0.0000 34178.5176 -149408.4994 298.4895 -183587.0170 -149311.0171 298.2251 -43.0840 -10.7396 558324.4137 5.6375 5.7325 PRESSURE: 4777600 -130.157 -97.5786 12.7681 -97.5789 -167.347 37.3742 12.767 37.374 -37.0461 GPRESSURE: 4777600 -75.944 -62.4106 -3.83915 -108.095 -125.127 81.8063 4.05284 2.33214 -26.2708 PRESSAVG: 4777600 44.9677 -57.9267 -40.9494 -57.9267 -9.32259 53.2592 -40.9494 53.2591 -2.75574 GPRESSAVG: 4777600 43.712 -59.2141 -41.5167 -53.8087 -7.82904 53.2854 -39.6921 54.7826 -2.51649 TIMING: 4777600 CPU: 14345.1, 0.00297673/step Wall: 14345.1, 0.00297673/step, 0.183896 hours remaining, 210.074219 MB of memory in use. ENERGY: 4777600 769.0782 2109.0536 1919.9620 113.8796 -206159.8810 17794.2395 0.0000 0.0000 33950.2774 -149503.3908 296.4962 -183453.6682 -149409.0508 298.6297 -111.5168 -75.7805 559184.1123 10.9631 11.1221 PRESSURE: 4777800 -70.8085 40.0976 -156.588 40.0984 -26.5879 187.961 -156.587 187.959 -13.7118 GPRESSURE: 4777800 -68.6412 28.5867 -84.9641 70.2914 -23.0706 178.761 -236.488 219.661 67.5624 PRESSAVG: 4777800 14.1089 -79.2268 -4.17477 -79.2267 -42.2399 4.06213 -4.17477 4.06203 6.73483 GPRESSAVG: 4777800 14.4727 -79.0148 -4.12916 -80.5377 -43.1865 4.51835 -3.82014 4.40209 7.00556 TIMING: 4777800 CPU: 14345.7, 0.00296017/step Wall: 14345.7, 0.00296017/step, 0.182708 hours remaining, 210.074219 MB of memory in use. ENERGY: 4777800 750.8331 2049.0578 1920.6542 119.8936 -206360.9719 17909.7482 0.0000 0.0000 34175.0073 -149435.7777 298.4588 -183610.7850 -149343.3222 298.1879 -37.0361 -8.0498 558517.4375 -7.1321 -7.2361 PRESSURE: 4778000 -213.857 -58.2912 138.752 -58.2915 -253.409 -0.014998 138.75 -0.0142815 -55.5935 GPRESSURE: 4778000 -175.929 -44.9513 63.0268 18.0185 -180.099 11.7155 139.118 -25.5581 -65.0676 PRESSAVG: 4778000 9.04255 -16.7311 4.57464 -16.7311 -105.534 45.3057 4.5747 45.3057 76.1601 GPRESSAVG: 4778000 8.39667 -16.8155 2.85689 -16.0875 -104.985 42.92 3.19195 45.1128 76.0968 TIMING: 4778000 CPU: 14346.3, 0.00295301/step Wall: 14346.3, 0.00295301/step, 0.182102 hours remaining, 210.074219 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: 4778000 771.9355 2093.4640 1925.9748 111.5824 -206174.1424 17541.3602 0.0000 0.0000 34263.7303 -149466.0952 299.2337 -183729.8255 -149372.0019 298.8225 -174.2863 -140.3652 557700.1891 -6.7773 -6.8305 PRESSURE: 4778200 22.3488 -207.07 182.163 -207.069 -180.572 46.9877 182.162 46.9876 -177.985 GPRESSURE: 4778200 80.9062 -192.905 173.775 -211.296 -191.762 18.2878 187.328 70.5982 -122.039 PRESSAVG: 4778200 -37.3272 -40.5221 -4.91022 -40.5221 -7.5425 -4.34783 -4.91025 -4.34771 55.1502 GPRESSAVG: 4778200 -37.0027 -39.3666 -2.94859 -41.3979 -7.91776 -3.16964 -5.3406 -3.5409 54.8217 TIMING: 4778200 CPU: 14346.9, 0.00295561/step Wall: 14346.9, 0.00295561/step, 0.182099 hours remaining, 210.074219 MB of memory in use. ENERGY: 4778200 747.5599 2061.6257 1960.0355 105.7223 -206337.1922 17711.0154 0.0000 0.0000 34164.6712 -149586.5622 298.3686 -183751.2334 -149494.5804 298.8720 -112.0696 -77.6315 556745.0312 3.4268 3.3004 PRESSURE: 4778400 83.274 -9.14485 -5.55666 -9.14507 44.5524 -86.7611 -5.55776 -86.7626 74.5491 GPRESSURE: 4778400 152.657 -61.2163 -4.01736 -34.2738 37.2256 -49.1157 9.85875 -44.0774 104.017 PRESSAVG: 4778400 -44.1601 3.6231 2.5268 3.62317 41.9271 -28.2445 2.52681 -28.2444 5.86597 GPRESSAVG: 4778400 -44.1005 4.93678 2.54483 2.60815 42.0782 -27.6901 3.91035 -26.7459 5.8118 TIMING: 4778400 CPU: 14347.5, 0.00296932/step Wall: 14347.5, 0.00296932/step, 0.182778 hours remaining, 210.074219 MB of memory in use. ENERGY: 4778400 750.1514 2128.2256 1938.9891 123.1667 -206545.5044 17879.2692 0.0000 0.0000 34295.9168 -149429.7856 299.5148 -183725.7024 -149339.2770 299.2992 67.4585 97.9666 555882.3486 1.2110 1.2632 PRESSURE: 4778600 -79.8581 -99.5587 -80.5236 -99.559 15.3242 96.2898 -80.5237 96.2893 126.056 GPRESSURE: 4778600 -42.1815 -177.943 -214.363 -109.125 63.5099 211.046 35.6837 68.2875 131.558 PRESSAVG: 4778600 -39.7738 -34.8672 -44.7808 -34.8672 -18.1085 12.771 -44.7807 12.7709 65.2777 GPRESSAVG: 4778600 -40.658 -35.5362 -46.377 -32.6977 -16.8762 14.8965 -44.6666 11.3792 65.1845 TIMING: 4778600 CPU: 14348.1, 0.00297907/step Wall: 14348.1, 0.00297907/step, 0.183213 hours remaining, 210.074219 MB of memory in use. ENERGY: 4778600 747.1145 2074.5814 1920.8683 119.7679 -206554.0490 17944.3149 0.0000 0.0000 34265.3625 -149482.0394 299.2479 -183747.4019 -149385.6659 298.5450 20.5074 50.9622 556869.9344 2.4651 2.5501 PRESSURE: 4778800 -75.5709 -46.2343 -123.804 -46.2355 -201.192 146.197 -123.804 146.197 165.04 GPRESSURE: 4778800 5.51697 -130.235 -150.594 -15.2555 -242.452 129.555 -33.983 108.598 225.824 PRESSAVG: 4778800 -9.58011 -14.8505 -16.586 -14.8506 -32.3775 31.8468 -16.5859 31.8468 58.7726 GPRESSAVG: 4778800 -9.4088 -14.7909 -16.6034 -16.6191 -32.9165 31.5763 -16.9655 31.834 58.5067 TIMING: 4778800 CPU: 14348.7, 0.00297778/step Wall: 14348.7, 0.00297778/step, 0.182968 hours remaining, 210.074219 MB of memory in use. ENERGY: 4778800 749.8639 2088.7276 1920.9833 112.2694 -206079.9116 17699.3861 0.0000 0.0000 34123.2651 -149385.4162 298.0070 -183508.6814 -149292.3032 298.7515 -37.2409 -3.7035 557000.6570 5.6050 5.3938 PRESSURE: 4779000 -100.972 -58.4296 193.462 -58.4291 -14.3423 10.1111 193.462 10.1109 -145.359 GPRESSURE: 4779000 0.379166 60.2076 278.569 -167.593 -32.7047 29.9203 -5.07497 31.2894 -120.389 PRESSAVG: 4779000 -21.9624 -4.49353 -4.25906 -4.49359 -24.0959 -31.9725 -4.25895 -31.9726 19.9991 GPRESSAVG: 4779000 -22.32 -3.50098 -3.52917 -5.57281 -24.4403 -32.8007 -4.3248 -30.542 20.5533 TIMING: 4779000 CPU: 14349.3, 0.00297547/step Wall: 14349.3, 0.00297547/step, 0.182661 hours remaining, 210.074219 MB of memory in use. ENERGY: 4779000 722.7216 2096.6441 1969.7437 106.4205 -206115.1702 17752.1534 0.0000 0.0000 34162.0366 -149305.4503 298.3456 -183467.4869 -149211.4571 299.1571 -86.8913 -50.9049 557773.0792 -8.6864 -8.7357 PRESSURE: 4779200 -175.971 103.778 48.5011 103.779 -279.471 43.4956 48.5003 43.4956 -97.7458 GPRESSURE: 4779200 -208.978 87.0473 127.169 124.073 -259.378 -18.7148 45.539 -10.2728 19.0959 PRESSAVG: 4779200 70.5884 -18.6951 -0.790247 -18.6951 -56.598 -39.395 -0.790236 -39.3949 42.5756 GPRESSAVG: 4779200 70.5552 -20.098 1.4025 -16.3677 -56.5898 -38.1133 -2.9454 -41.3365 43.6896 TIMING: 4779200 CPU: 14349.9, 0.0030086/step Wall: 14349.9, 0.0030086/step, 0.184528 hours remaining, 210.074219 MB of memory in use. ENERGY: 4779200 747.5903 2101.8557 1945.9288 115.0824 -206318.6984 17642.4878 0.0000 0.0000 34377.2779 -149388.4756 300.2253 -183765.7534 -149287.2577 299.8490 -184.3957 -149.7532 556986.1359 18.8553 19.2183 PRESSURE: 4779400 -58.5844 122.969 -31.0065 122.969 -29.82 -126.53 -31.0055 -126.53 -164.509 GPRESSURE: 4779400 50.2235 70.7955 -23.7423 176.706 -53.1403 -197.169 -10.3632 -56.8753 -144.717 PRESSAVG: 4779400 -9.38074 -22.5865 4.31912 -22.5865 58.521 -19.6672 4.31918 -19.6672 -35.9909 GPRESSAVG: 4779400 -7.72021 -22.108 1.1107 -22.5599 58.9783 -20.8548 6.72237 -19.2481 -38.5509 TIMING: 4779400 CPU: 14350.5, 0.00301136/step Wall: 14350.5, 0.00301136/step, 0.18453 hours remaining, 210.074219 MB of memory in use. ENERGY: 4779400 748.7178 2017.9614 1931.9755 112.5832 -206169.4527 17887.6688 0.0000 0.0000 34185.8140 -149284.7319 298.5532 -183470.5459 -149190.3901 298.9449 -84.3044 -49.2114 558703.7938 4.3831 4.2357 PRESSURE: 4779600 -117.147 80.4504 -154.005 80.4503 -237.221 29.6941 -154.005 29.6932 -137.316 GPRESSURE: 4779600 -103.242 52.9381 -215.209 131.552 -193.841 43.9672 -187.973 59.902 -88.816 PRESSAVG: 4779600 21.4127 19.9523 -1.86607 19.9523 -55.545 4.37938 -1.86603 4.37939 4.81243 GPRESSAVG: 4779600 20.8224 20.4175 -0.235391 18.1123 -56.5329 4.27984 -0.284952 4.49769 6.78618 TIMING: 4779600 CPU: 14351.1, 0.0029993/step Wall: 14351.1, 0.0029993/step, 0.183624 hours remaining, 210.074219 MB of memory in use. ENERGY: 4779600 746.9356 2044.1240 1921.9657 105.4883 -206060.5674 17688.1867 0.0000 0.0000 34112.8153 -149441.0518 297.9157 -183553.8670 -149348.0831 299.1325 -163.8946 -128.6332 558600.8804 -9.7733 -9.6414 PRESSURE: 4779800 -18.909 75.9797 -125.633 75.9794 -418.097 -28.2593 -125.633 -28.2584 -92.639 GPRESSURE: 4779800 -48.4281 0.273572 -124.762 112.04 -325.909 -28.7985 -73.7011 -12.4159 -64.4623 PRESSAVG: 4779800 66.1362 -21.0768 48.3609 -21.0768 -42.4362 -42.7699 48.361 -42.7699 -4.55779 GPRESSAVG: 4779800 66.3587 -20.982 48.0204 -19.1986 -42.1913 -42.4918 46.5023 -42.7682 -4.67021 TIMING: 4779800 CPU: 14351.7, 0.00300994/step Wall: 14351.7, 0.00300994/step, 0.184108 hours remaining, 210.074219 MB of memory in use. ENERGY: 4779800 751.3769 2126.9800 1947.7409 118.5295 -206077.3814 17609.1751 0.0000 0.0000 34164.7347 -149358.8444 298.3691 -183523.5791 -149271.0740 298.7391 -176.5483 -146.2663 557236.2823 6.3808 6.4991 PRESSURE: 4780000 -93.1564 8.70494 20.9016 8.70621 -112.579 -121.143 20.9007 -121.143 -196.245 GPRESSURE: 4780000 -106.718 64.9853 60.7099 36.6448 -73.9559 -159.659 -113.117 -131.682 -114.892 PRESSAVG: 4780000 -17.0519 26.0975 -28.1877 26.0975 -42.0156 -20.2728 -28.1877 -20.2729 34.653 GPRESSAVG: 4780000 -18.6373 26.8237 -26.95 25.0387 -41.0656 -20.4236 -28.3818 -21.2545 35.0959 TIMING: 4780000 CPU: 14352.3, 0.00301771/step Wall: 14352.3, 0.00301771/step, 0.184415 hours remaining, 210.074219 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: 4780000 729.8159 2131.8380 1968.1184 110.6245 -206001.1470 17639.4938 0.0000 0.0000 34090.7493 -149330.5071 297.7230 -183421.2564 -149231.3638 298.2682 -133.9935 -98.5220 557633.1199 -8.1382 -8.2023 PRESSURE: 4780200 -92.2578 22.8609 32.2442 22.8605 -197.702 -138.553 32.2454 -138.552 22.1481 GPRESSURE: 4780200 -37.1512 -61.5839 11.5915 31.5573 -129.937 -150.202 1.84435 -146.958 -6.8487 PRESSAVG: 4780200 36.9842 14.7333 -26.5772 14.7334 -16.3236 -41.0682 -26.5771 -41.0683 -36.1914 GPRESSAVG: 4780200 37.4146 15.1491 -27.4932 14.3708 -16.8586 -43.0211 -24.945 -38.1538 -36.1493 TIMING: 4780200 CPU: 14352.9, 0.00301895/step Wall: 14352.9, 0.00301895/step, 0.184324 hours remaining, 210.074219 MB of memory in use. ENERGY: 4780200 735.1069 2081.1764 1944.7127 117.1488 -206105.8428 17559.1964 0.0000 0.0000 34177.3201 -149491.1815 298.4790 -183668.5016 -149398.4526 298.2725 -89.2707 -57.9791 556920.2904 -5.1769 -5.1978 LDB: ============= START OF LOAD BALANCING ============== 14356.4 LDB: ============== END OF LOAD BALANCING =============== 14356.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14356.4 LDB: ============= START OF LOAD BALANCING ============== 14356.7 LDB: Largest compute 4773 load 0.027537 is 23.3% of average load 0.118304 LDB: Average compute 0.001727 is 1.5% of average load 0.118304 LDB: TIME 14356.7 LOAD: AVG 0.118304 MAX 0.211934 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.031 MB LDB: TIME 14356.7 LOAD: AVG 0.118304 MAX 0.211934 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.234 MB LDB: TIME 14356.7 LOAD: AVG 0.118304 MAX 0.211934 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.234 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14356.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14356.7 PRESSURE: 4780400 57.6146 79.3011 -45.152 79.2998 -155.567 -61.9753 -45.1517 -61.9767 31.972 GPRESSURE: 4780400 74.6011 81.0606 13.2163 -6.66331 -104.286 -49.3655 -6.3741 6.77291 49.4776 PRESSAVG: 4780400 47.846 -32.3281 -9.11466 -32.3281 -99.2248 -23.4498 -9.1147 -23.4497 51.1669 GPRESSAVG: 4780400 48.8983 -34.5696 -9.42427 -32.0399 -99.2184 -22.172 -9.91379 -24.3955 50.362 TIMING: 4780400 CPU: 14353.5, 0.0030592/step Wall: 14353.5, 0.0030592/step, 0.186611 hours remaining, 209.800781 MB of memory in use. ENERGY: 4780400 744.9596 2085.9612 1953.0922 113.4506 -206285.9123 17913.4562 0.0000 0.0000 34098.8263 -149376.1663 297.7935 -183474.9926 -149280.2052 298.7994 -21.9933 6.5974 557742.8888 -0.0706 0.0140 PRESSURE: 4780600 -19.1514 -94.2491 8.23945 -94.2488 -80.6931 -12.4382 8.23862 -12.4389 39.3367 GPRESSURE: 4780600 32.6818 -79.1856 35.4734 -75.5682 -90.034 2.53504 -12.2331 -23.3616 79.1437 PRESSAVG: 4780600 18.2529 13.153 41.66 13.153 -51.6037 4.89338 41.66 4.89323 23.323 GPRESSAVG: 4780600 18.2269 13.7308 41.2932 15.2163 -52.2082 2.77142 41.5666 6.50561 24.319 TIMING: 4780600 CPU: 14354.1, 0.00297088/step Wall: 14354.1, 0.00297088/step, 0.181058 hours remaining, 210.003906 MB of memory in use. ENERGY: 4780600 729.6775 2052.6161 1941.8728 120.5263 -206077.5490 17760.9919 0.0000 0.0000 34046.6708 -149425.1938 297.3380 -183471.8646 -149329.7130 298.7170 -20.1693 7.2638 557106.0574 -3.3426 -3.2207 PRESSURE: 4780800 -322.877 -195.8 108.815 -195.799 -135.219 17.0498 108.815 17.0489 -197.308 GPRESSURE: 4780800 -334.81 -138.365 183.873 -215.996 -103.833 69.187 58.2716 3.98748 -122.619 PRESSAVG: 4780800 -37.0011 -22.7485 34.3597 -22.7484 3.10457 -34.7174 34.3597 -34.7173 2.7398 GPRESSAVG: 4780800 -37.9869 -22.7129 34.8859 -25.2194 4.77518 -34.2706 34.4632 -36.404 1.83513 TIMING: 4780800 CPU: 14354.7, 0.00297137/step Wall: 14354.7, 0.00297137/step, 0.180923 hours remaining, 210.003906 MB of memory in use. ENERGY: 4780800 768.2816 2111.4546 1961.7053 118.4038 -205872.1581 17568.2249 0.0000 0.0000 34106.1682 -149237.9197 297.8577 -183344.0879 -149141.7738 299.0119 -218.4679 -187.0874 558303.7341 -10.3856 -10.4589 PRESSURE: 4781000 -16.1707 164.419 -147.01 164.419 -153.085 237.167 -147.011 237.165 -102.526 GPRESSURE: 4781000 20.8307 239.789 -148.662 221.074 -103.905 142.471 -137.116 347.361 -103.577 PRESSAVG: 4781000 -89.3432 -29.4442 16.4113 -29.4442 11.0523 -3.14541 16.4112 -3.14536 61.7412 GPRESSAVG: 4781000 -88.1198 -27.7577 18.2308 -27.9293 9.56168 -4.14604 15.362 -1.79025 61.1791 TIMING: 4781000 CPU: 14355.3, 0.00297022/step Wall: 14355.3, 0.00297022/step, 0.180688 hours remaining, 210.003906 MB of memory in use. ENERGY: 4781000 731.8031 2143.5070 1928.5286 117.6042 -206361.2663 17841.0561 0.0000 0.0000 34470.6086 -149128.1587 301.0404 -183598.7673 -149029.5560 299.8134 -90.5941 -62.2170 557338.7720 -5.5166 -5.7930 PRESSURE: 4781200 -65.7691 -164.268 116.056 -164.269 113.069 -87.0313 116.056 -87.032 165.024 GPRESSURE: 4781200 -77.5347 -207.028 79.6485 -76.5908 187.017 -101.631 105.591 -48.173 199.116 PRESSAVG: 4781200 1.13485 -13.1896 22.1376 -13.1895 26.8043 37.6829 22.1377 37.6829 -23.5424 GPRESSAVG: 4781200 0.172114 -13.7805 19.6738 -15.0636 26.743 39.7411 23.1863 36.2381 -22.8978 TIMING: 4781200 CPU: 14355.9, 0.00297746/step Wall: 14355.9, 0.00297746/step, 0.180964 hours remaining, 210.003906 MB of memory in use. ENERGY: 4781200 780.2774 2063.7469 1950.0773 120.4183 -206349.9412 18020.8790 0.0000 0.0000 34304.2855 -149110.2568 299.5879 -183414.5422 -149011.7574 300.1720 70.7747 102.8663 556989.0460 1.4656 1.3391 PRESSURE: 4781400 262.585 -112.125 127.884 -112.124 -133.804 -32.4525 127.884 -32.453 17.9134 GPRESSURE: 4781400 317.798 -113.388 146.722 -148.069 -64.0906 82.1282 101.311 53.0901 -5.61219 PRESSAVG: 4781400 25.8394 -14.8705 35.7042 -14.8706 -43.2442 -3.7769 35.7042 -3.77688 5.55816 GPRESSAVG: 4781400 25.9156 -14.3424 35.9418 -13.9477 -43.514 -1.7001 35.7192 -5.31272 5.27472 TIMING: 4781400 CPU: 14356.5, 0.00300685/step Wall: 14356.5, 0.00300685/step, 0.182583 hours remaining, 210.003906 MB of memory in use. ENERGY: 4781400 734.8540 2087.7301 1936.2195 110.6012 -206084.0018 17880.9284 0.0000 0.0000 34171.8878 -149161.7808 298.4316 -183333.6686 -149066.4315 300.4388 48.8981 82.6985 557920.8052 -3.9489 -4.1079 PRESSURE: 4781600 81.1117 -120.247 -11.9362 -120.247 -37.9878 30.109 -11.9358 30.1081 45.2962 GPRESSURE: 4781600 203.996 -133.863 -31.3552 -110.009 -43.4154 54.2836 -53.2938 -4.17042 32.8141 PRESSAVG: 4781600 50.5687 -65.3811 70.2025 -65.3811 -55.9595 -14.3855 70.2025 -14.3854 -10.8641 GPRESSAVG: 4781600 50.4964 -64.5715 69.9777 -66.9175 -55.4671 -15.741 68.8268 -14.0923 -11.8294 TIMING: 4781600 CPU: 14357.1, 0.00302997/step Wall: 14357.1, 0.00302997/step, 0.183818 hours remaining, 210.003906 MB of memory in use. ENERGY: 4781600 719.5407 2101.1978 1938.6768 102.5929 -206514.0987 18058.5358 0.0000 0.0000 34376.7642 -149216.7906 300.2208 -183593.5548 -149115.3865 299.6667 29.4734 64.4650 558086.5256 -5.4183 -5.6000 PRESSURE: 4781800 -60.5413 -86.2552 76.2679 -86.2538 -54.7551 66.0956 76.2684 66.0951 104.133 GPRESSURE: 4781800 7.40798 -96.2826 79.8068 -39.0776 -45.9799 -8.84709 155.77 102.72 126.072 PRESSAVG: 4781800 -9.78426 -16.7794 8.85929 -16.7794 -6.96003 1.47775 8.85932 1.47778 6.68704 GPRESSAVG: 4781800 -9.85896 -20.5962 8.86963 -13.2497 -7.46585 -0.555662 9.67264 3.20327 6.60891 TIMING: 4781800 CPU: 14357.7, 0.00305146/step Wall: 14357.7, 0.00305146/step, 0.184953 hours remaining, 210.003906 MB of memory in use. ENERGY: 4781800 738.5006 2097.5509 1945.7281 122.9509 -205946.2789 17759.2222 0.0000 0.0000 34291.6335 -148990.6927 299.4774 -183282.3262 -148899.6492 299.2987 -3.7212 29.1668 558140.4403 -3.3524 -3.5720 PRESSURE: 4782000 -88.4199 -228.873 8.39572 -228.873 -100.839 24.842 8.39524 24.843 222.371 GPRESSURE: 4782000 -85.0156 -205.349 45.1489 -246.042 -45.8097 -23.6674 57.8143 42.4266 259.012 PRESSAVG: 4782000 5.04828 1.27557 27.3062 1.27556 2.17145 -32.3855 27.3061 -32.3855 13.7717 GPRESSAVG: 4782000 4.88747 3.10079 26.8391 -0.528273 2.62523 -32.8898 28.2003 -31.122 13.4291 TIMING: 4782000 CPU: 14358.3, 0.00299275/step Wall: 14358.3, 0.00299275/step, 0.181228 hours remaining, 210.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4782000 747.9219 2049.5977 1947.8701 111.8509 -205810.4598 17617.9317 0.0000 0.0000 34355.4835 -148979.8039 300.0350 -183335.2874 -148880.0070 298.8148 11.0375 42.7290 558529.5256 6.9971 6.9806 PRESSURE: 4782200 -134.874 -236.968 -91.6177 -236.968 104.583 -76.2744 -91.6185 -76.2747 117.649 GPRESSURE: 4782200 -22.0049 -185.461 -106.978 -200.612 44.005 -23.4602 -43.7697 -118.954 165.408 PRESSAVG: 4782200 31.7733 -26.3101 -5.3321 -26.3101 31.2385 -16.2375 -5.33213 -16.2374 -5.12074 GPRESSAVG: 4782200 31.6088 -25.5223 -5.79866 -26.1759 31.5013 -14.0794 -6.16277 -17.3786 -4.97351 TIMING: 4782200 CPU: 14358.9, 0.00302143/step Wall: 14358.9, 0.00302143/step, 0.182797 hours remaining, 210.003906 MB of memory in use. ENERGY: 4782200 722.4612 2116.8982 1929.6635 99.9393 -205567.6951 17553.6209 0.0000 0.0000 34275.3502 -148869.7619 299.3352 -183145.1120 -148774.4098 300.4471 29.1196 62.4695 559358.7663 19.2970 19.3789 PRESSURE: 4782400 -72.7101 -187.077 37.2617 -187.078 -210.606 23.0237 37.2606 23.023 22.1878 GPRESSURE: 4782400 -50.8587 -161.847 57.2709 -197.191 -115.26 99.6379 86.6234 -68.2829 -1.89156 PRESSAVG: 4782400 32.3291 -9.0037 6.72815 -9.00377 -49.4918 -16.1552 6.72823 -16.1552 45.1196 GPRESSAVG: 4782400 33.2821 -8.58767 6.77388 -11.1943 -50.7998 -16.4346 7.52086 -15.3932 45.1971 TIMING: 4782400 CPU: 14359.5, 0.00301083/step Wall: 14359.5, 0.00301083/step, 0.181988 hours remaining, 210.074219 MB of memory in use. ENERGY: 4782400 806.9318 2070.7795 1904.5072 143.3342 -205865.7200 17624.2254 0.0000 0.0000 34370.3538 -148945.5883 300.1648 -183315.9420 -148850.6063 301.0232 -87.0426 -56.0033 557892.8055 9.3190 9.2265 PRESSURE: 4782600 24.3618 -21.6605 62.3104 -21.6617 121.4 -19.4532 62.3106 -19.4553 -4.21499 GPRESSURE: 4782600 25.7849 -67.0567 120.753 95.1491 179.58 -58.7547 31.7233 -35.9968 38.0833 PRESSAVG: 4782600 -20.4217 -8.60812 3.06339 -8.6082 -26.0544 -32.5009 3.06335 -32.5008 40.7503 GPRESSAVG: 4782600 -20.5657 -10.5947 5.32996 -5.72591 -26.5098 -30.7195 1.05876 -33.6104 41.0473 TIMING: 4782600 CPU: 14360.1, 0.00299979/step Wall: 14360.1, 0.00299979/step, 0.181154 hours remaining, 210.074219 MB of memory in use. ENERGY: 4782600 734.1340 2097.2417 1947.0400 122.0627 -206038.1897 17797.8769 0.0000 0.0000 34364.6666 -148975.1678 300.1152 -183339.8344 -148882.9567 299.9608 47.1822 81.1495 556662.3956 -1.9086 -2.0094 PRESSURE: 4782800 -103.206 124.088 87.974 124.088 -70.3631 112.892 87.9719 112.891 -9.96571 GPRESSURE: 4782800 -40.5656 133.407 79.8171 85.6789 -59.8773 -9.81658 26.4021 116.25 12.9068 PRESSAVG: 4782800 -18.1709 28.577 13.9948 28.577 17.9977 22.6981 13.9946 22.6981 6.99301 GPRESSAVG: 4782800 -17.979 27.9711 12.2753 29.8346 19.3264 21.0933 14.9413 20.0374 5.70916 TIMING: 4782800 CPU: 14360.7, 0.00299383/step Wall: 14360.7, 0.00299383/step, 0.180628 hours remaining, 210.074219 MB of memory in use. ENERGY: 4782800 759.9854 2107.0045 1942.5227 117.8873 -205983.5796 17588.4621 0.0000 0.0000 34601.2699 -148866.4477 302.1815 -183467.7176 -148769.2792 300.4656 -61.1782 -29.1787 555867.3301 2.2733 2.3522 PRESSURE: 4783000 -22.2921 97.256 157.732 97.2565 -230.27 -38.4668 157.733 -38.4673 150.273 GPRESSURE: 4783000 -13.2035 111.66 80.8047 139.834 -177.514 -105.22 232.893 83.5573 174.395 PRESSAVG: 4783000 52.3218 -24.816 24.1267 -24.816 -70.5317 8.40159 24.1267 8.40153 53.9385 GPRESSAVG: 4783000 51.3395 -20.7542 25.2781 -27.5406 -71.0735 8.24929 25.7951 9.78844 55.1086 TIMING: 4783000 CPU: 14361.3, 0.0030059/step Wall: 14361.3, 0.0030059/step, 0.181189 hours remaining, 210.074219 MB of memory in use. ENERGY: 4783000 767.4383 2118.5381 1942.5445 117.3025 -205824.3412 17535.7772 0.0000 0.0000 34456.2790 -148886.4616 300.9153 -183342.7406 -148788.1757 300.5747 -34.0963 -5.4408 555549.7479 11.9095 11.7915 PRESSURE: 4783200 -175.246 -40.035 -49.2395 -40.0345 -156.039 -160.56 -49.2403 -160.56 -79.6663 GPRESSURE: 4783200 -150.228 -58.7718 -57.0693 32.548 -146.576 -157.561 -73.5217 -144.44 -23.6644 PRESSAVG: 4783200 33.451 -42.0188 18.8773 -42.0189 -95.4696 -58.421 18.8773 -58.4211 72.4913 GPRESSAVG: 4783200 33.9685 -44.4017 17.4884 -40.6134 -95.7042 -56.9374 18.4586 -59.0044 72.2509 TIMING: 4783200 CPU: 14361.9, 0.00297731/step Wall: 14361.9, 0.00297731/step, 0.1793 hours remaining, 210.074219 MB of memory in use. ENERGY: 4783200 762.1972 2089.1442 1935.9720 105.7506 -205492.8977 17329.7280 0.0000 0.0000 34511.8666 -148758.2391 301.4007 -183270.1057 -148661.8687 300.4463 -136.9837 -106.8231 557163.4475 3.4909 3.5050 PRESSURE: 4783400 85.8677 -22.9755 62.0366 -22.9744 -75.7519 -201.454 62.0362 -201.452 11.6649 GPRESSURE: 4783400 83.5161 96.5337 87.3071 -62.6306 -18.1961 -151.59 -48.0299 -278.114 45.9329 PRESSAVG: 4783400 30.1497 44.4945 9.76589 44.4945 -52.061 -33.0127 9.76585 -33.0128 -4.89014 GPRESSAVG: 4783400 29.2354 44.824 9.32198 42.9007 -51.0841 -34.6203 9.84765 -31.9864 -4.6623 TIMING: 4783400 CPU: 14362.5, 0.00298016/step Wall: 14362.5, 0.00298016/step, 0.179306 hours remaining, 210.074219 MB of memory in use. ENERGY: 4783400 737.1463 2074.4074 1945.4552 116.0621 -205742.0356 17594.9587 0.0000 0.0000 34438.2460 -148835.7599 300.7578 -183274.0059 -148739.1792 300.6236 7.2602 37.0843 557767.9213 -8.9338 -8.8370 PRESSURE: 4783600 -400.303 90.0865 -50.7304 90.0866 -12.9612 -43.2521 -50.7305 -43.2526 -340.232 GPRESSURE: 4783600 -308.171 25.9976 -119.101 22.8356 -41.6451 -19.451 -22.0109 -84.0663 -302.938 PRESSAVG: 4783600 -20.7439 -58.3012 -25.8514 -58.3011 25.4313 -41.7387 -25.8514 -41.7387 -39.2093 GPRESSAVG: 4783600 -19.9989 -60.2323 -24.008 -56.4005 23.3356 -42.1344 -27.7804 -43.2197 -37.9357 TIMING: 4783600 CPU: 14363.1, 0.00300719/step Wall: 14363.1, 0.00300719/step, 0.180765 hours remaining, 210.074219 MB of memory in use. ENERGY: 4783600 736.9102 2098.3608 1931.6021 118.2079 -205370.5393 17321.5982 0.0000 0.0000 34140.6568 -149023.2033 298.1588 -183163.8601 -148930.6912 300.3988 -251.1652 -217.5848 558590.0091 -11.5073 -11.5330 PRESSURE: 4783800 -1.37478 90.4371 -39.8864 90.4373 -104.175 10.6991 -39.8876 10.699 -74.1042 GPRESSURE: 4783800 16.2642 6.15026 35.0229 84.1683 -102.002 -41.0063 -126.485 21.9433 -3.28126 PRESSAVG: 4783800 17.5989 -19.0152 2.40008 -19.0153 27.4833 -11.6937 2.40005 -11.6938 -18.3896 GPRESSAVG: 4783800 17.4649 -18.6797 2.75799 -20.0204 29.6265 -11.1302 4.00329 -10.8056 -20.4211 TIMING: 4783800 CPU: 14363.7, 0.00299172/step Wall: 14363.7, 0.00299172/step, 0.17967 hours remaining, 210.074219 MB of memory in use. ENERGY: 4783800 736.8433 2158.8817 1919.6372 127.4446 -205571.9945 17473.3517 0.0000 0.0000 34222.7989 -148933.0371 298.8762 -183155.8361 -148827.2329 299.6968 -59.8846 -29.6729 557418.7392 8.8975 8.8901 PRESSURE: 4784000 5.35028 105.449 160.776 105.449 -149.83 76.0283 160.775 76.0293 -162.658 GPRESSURE: 4784000 23.1681 56.1075 232.71 120.783 -97.3378 60.3446 105.921 12.5645 -127.818 PRESSAVG: 4784000 -15.9356 27.1958 10.5322 27.1958 10.0442 31.8723 10.5322 31.8722 6.02885 GPRESSAVG: 4784000 -16.0899 28.1161 9.81497 27.0642 9.06107 32.7428 10.1773 31.089 7.10582 TIMING: 4784000 CPU: 14364.3, 0.0029623/step Wall: 14364.3, 0.00296231/step, 0.177738 hours remaining, 210.074219 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: 4784000 743.9855 2054.0016 1956.2321 107.7147 -205711.4445 17582.4124 0.0000 0.0000 34260.8137 -149006.2845 299.2082 -183267.0982 -148911.3738 300.1004 -102.3793 -67.3292 555162.4607 0.0458 0.0256 PRESSURE: 4784200 21.6435 -34.4497 58.5581 -34.4489 -60.9188 118.064 58.5581 118.063 -205.934 GPRESSURE: 4784200 104.957 -52.5404 -78.4276 -43.7276 -68.3517 98.6589 157.368 43.8834 -182.441 PRESSAVG: 4784200 27.6525 -6.08433 21.2535 -6.08419 81.3704 23.98 21.2534 23.9801 -42.0162 GPRESSAVG: 4784200 27.9889 -6.2564 19.4635 -4.67062 82.0484 22.8034 23.2138 24.0686 -43.7533 TIMING: 4784200 CPU: 14364.9, 0.00295575/step Wall: 14364.9, 0.00295575/step, 0.177181 hours remaining, 210.074219 MB of memory in use. ENERGY: 4784200 749.1920 2134.9114 1941.3210 104.9828 -205958.5036 17642.3558 0.0000 0.0000 34371.9405 -149013.8001 300.1787 -183385.7406 -148907.7907 300.3207 -81.7363 -48.6120 557703.7871 22.3355 22.0946 LDB: ============= START OF LOAD BALANCING ============== 14368.4 LDB: ============== END OF LOAD BALANCING =============== 14368.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14368.4 LDB: ============= START OF LOAD BALANCING ============== 14368.7 LDB: Largest compute 4773 load 0.026835 is 22.7% of average load 0.118318 LDB: Average compute 0.001729 is 1.5% of average load 0.118318 LDB: TIME 14368.7 LOAD: AVG 0.118318 MAX 0.212735 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.129 MB LDB: TIME 14368.7 LOAD: AVG 0.118318 MAX 0.212735 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.145 MB LDB: TIME 14368.7 LOAD: AVG 0.118318 MAX 0.212735 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.145 MB LDB: ============== END OF LOAD BALANCING =============== 14368.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14368.7 PRESSURE: 4784400 6.10193 -72.6043 22.7528 -72.6037 -211 179.494 22.7521 179.495 -152.892 GPRESSURE: 4784400 41.1929 -16.9871 122.131 -142.09 -203.773 148.611 101.323 145.776 -92.1982 PRESSAVG: 4784400 52.32 -49.6204 36.6265 -49.6204 39.2498 0.856442 36.6265 0.856456 -106.468 GPRESSAVG: 4784400 51.6389 -50.0474 38.5554 -51.1708 39.2582 2.30895 34.6505 -0.853405 -105.387 TIMING: 4784400 CPU: 14365.5, 0.00303868/step Wall: 14365.5, 0.00303868/step, 0.181983 hours remaining, 209.453125 MB of memory in use. ENERGY: 4784400 789.1079 2165.7795 1919.8980 96.5153 -205783.2817 17592.2802 0.0000 0.0000 34246.6034 -148973.0975 299.0841 -183219.7009 -148871.7357 300.4106 -119.2633 -84.9261 556641.6202 -4.9662 -4.8298 PRESSURE: 4784600 54.9233 88.6165 34.1858 88.6151 308.377 24.1398 34.1868 24.1391 -2.0174 GPRESSURE: 4784600 166.534 56.3443 4.12808 39.6857 315.498 47.6196 35.6435 -13.8585 -26.9248 PRESSAVG: 4784600 -1.75089 -2.33893 4.63945 -2.339 16.1071 30.585 4.63949 30.5849 -53.9896 GPRESSAVG: 4784600 -0.704103 -2.02441 4.76865 -2.47588 15.9121 30.3384 5.32147 30.9323 -55.2442 TIMING: 4784600 CPU: 14366.1, 0.00298418/step Wall: 14366.1, 0.00298418/step, 0.178553 hours remaining, 209.914062 MB of memory in use. ENERGY: 4784600 746.0186 2124.1069 1929.0411 117.1595 -206389.3774 17953.2989 0.0000 0.0000 34403.6975 -149116.0550 300.4560 -183519.7525 -149017.7148 299.5810 120.4277 151.7023 557364.2105 -13.2111 -13.3454 PRESSURE: 4784800 0.212994 -26.9454 -155.864 -26.9452 68.8988 -54.1307 -155.863 -54.1292 65.022 GPRESSURE: 4784800 36.5001 -96.7545 -186.637 -1.73107 93.355 -57.4706 -89.2845 -21.1668 90.6798 PRESSAVG: 4784800 14.9044 74.3233 -21.1685 74.3232 -0.846262 39.6957 -21.1685 39.6957 -66.8776 GPRESSAVG: 4784800 13.2397 74.785 -23.3844 73.6869 -1.05271 39.3147 -20.1503 40.6035 -65.7368 TIMING: 4784800 CPU: 14366.7, 0.00298127/step Wall: 14366.7, 0.00298127/step, 0.178213 hours remaining, 209.914062 MB of memory in use. ENERGY: 4784800 742.9158 2093.0156 1927.9871 111.5703 -206090.2427 17708.7207 0.0000 0.0000 34354.7091 -149151.3241 300.0282 -183506.0332 -149057.1857 299.3744 44.7113 73.5117 556108.3867 -17.6065 -17.8499 PRESSURE: 4785000 104.504 43.6358 36.4198 43.6356 215.155 -17.9868 36.42 -17.9873 295.151 GPRESSURE: 4785000 136.537 161.928 6.18696 -31.0031 189.777 98.919 -25.2463 -91.2915 389.252 PRESSAVG: 4785000 -24.275 29.4928 7.70263 29.4928 14.4557 -39.2967 7.70275 -39.2968 88.2908 GPRESSAVG: 4785000 -23.4058 28.4061 10.3853 30.6548 12.067 -37.8024 5.84983 -39.881 89.421 TIMING: 4785000 CPU: 14367.3, 0.00295215/step Wall: 14367.3, 0.00295215/step, 0.176309 hours remaining, 209.914062 MB of memory in use. ENERGY: 4785000 726.5492 2039.5094 1954.2606 112.5807 -205915.9034 17874.1654 0.0000 0.0000 34212.1349 -148996.7032 298.7831 -183208.8380 -148905.8093 299.0156 204.9369 238.5219 557302.8484 26.1572 26.0274 PRESSURE: 4785200 -169.65 -44.6493 40.3007 -44.651 -163.896 -44.1107 40.3013 -44.1093 -200.03 GPRESSURE: 4785200 -165.813 -26.7042 -2.25323 -11.5381 -114.456 -56.5002 167.868 -82.5547 -155.841 PRESSAVG: 4785200 -17.1012 -7.26102 3.04149 -7.26096 1.60114 29.7927 3.04153 29.7927 23.9974 GPRESSAVG: 4785200 -18.7956 -6.74461 0.64603 -7.99217 4.04916 29.6338 6.24274 29.4305 22.8764 TIMING: 4785200 CPU: 14367.8, 0.00295617/step Wall: 14367.8, 0.00295617/step, 0.176385 hours remaining, 209.914062 MB of memory in use. ENERGY: 4785200 738.5417 2119.6763 1945.9443 112.7681 -205852.1371 17525.9057 0.0000 0.0000 34251.7772 -149157.5240 299.1293 -183409.3011 -149061.4000 299.1903 -177.8587 -145.3701 557996.3360 2.8325 2.7100 PRESSURE: 4785400 174.055 72.6804 9.30899 72.6796 -35.5686 97.7983 9.31036 97.7985 219.47 GPRESSURE: 4785400 199.16 53.5974 59.2716 118.3 -2.96519 1.70895 -27.0726 85.7251 272.679 PRESSAVG: 4785400 100.129 -0.297121 54.039 -0.297143 -66.5362 4.22221 54.039 4.22235 4.97159 GPRESSAVG: 4785400 101.169 0.327048 55.5363 0.483601 -67.4908 3.75649 50.9221 3.9234 5.12095 TIMING: 4785400 CPU: 14368.4, 0.00295806/step Wall: 14368.4, 0.00295806/step, 0.176333 hours remaining, 209.984375 MB of memory in use. ENERGY: 4785400 756.6343 2085.9012 1942.4189 126.1777 -206187.9071 17933.8618 0.0000 0.0000 34208.7863 -149134.1269 298.7538 -183342.9132 -149041.1068 298.9913 119.3191 156.2912 555928.7687 12.8548 12.9330 PRESSURE: 4785600 -86.0407 76.2643 102.298 76.2646 -225.985 -8.40796 102.299 -8.40785 -224.531 GPRESSURE: 4785600 -13.6568 79.5812 108.847 68.9547 -239.611 -52.2382 114.122 43.0027 -187.694 PRESSAVG: 4785600 93.0326 -5.91986 47.6594 -5.91985 -135.153 -38.0727 47.6594 -38.0726 23.9947 GPRESSAVG: 4785600 92.4646 -4.88879 47.7032 -6.86852 -134.97 -38.6059 50.3119 -36.7272 24.1277 TIMING: 4785600 CPU: 14369, 0.00295269/step Wall: 14369, 0.00295269/step, 0.175849 hours remaining, 209.984375 MB of memory in use. ENERGY: 4785600 751.7395 2085.0767 1929.8690 106.9025 -206228.2705 17747.9850 0.0000 0.0000 34311.4272 -149295.2705 299.6502 -183606.6977 -149205.4634 298.9016 -178.8523 -146.9872 556507.2519 -6.0420 -6.1261 PRESSURE: 4785800 297.205 39.1454 174.124 39.1452 -94.6052 -19.5857 174.123 -19.5865 -199.962 GPRESSURE: 4785800 275.967 73.3529 218.829 15.4555 -33.619 -64.1946 247.549 27.2806 -144.34 PRESSAVG: 4785800 22.3406 -22.0502 32.5424 -22.0502 -51.4178 -29.7812 32.5424 -29.7811 45.5253 GPRESSAVG: 4785800 22.5892 -25.0966 32.3496 -21.7855 -51.185 -31.2586 32.8463 -29.8045 45.1306 TIMING: 4785800 CPU: 14369.6, 0.00295287/step Wall: 14369.6, 0.00295287/step, 0.175696 hours remaining, 209.984375 MB of memory in use. ENERGY: 4785800 713.8698 2060.7651 1954.5880 111.7405 -206186.2112 17798.1715 0.0000 0.0000 34228.3191 -149318.7571 298.9244 -183547.0762 -149223.2849 298.9280 0.8790 32.6693 556982.4038 5.4827 5.5116 PRESSURE: 4786000 -69.8878 22.3561 85.3785 22.3566 -147.112 -101.096 85.3779 -101.096 -74.4922 GPRESSURE: 4786000 -22.3725 60.0754 88.0841 8.66621 -81.013 -96.9761 115.982 -101.582 -96.7091 PRESSAVG: 4786000 0.829366 40.8267 34.5518 40.8267 2.8416 -31.9924 34.5518 -31.9924 32.8933 GPRESSAVG: 4786000 2.60381 41.4285 34.8032 42.8039 1.33891 -31.7631 34.8448 -30.9357 32.3945 TIMING: 4786000 CPU: 14370.2, 0.00296545/step Wall: 14370.2, 0.00296545/step, 0.17628 hours remaining, 209.984375 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: 4786000 720.7113 2022.7004 1953.2357 112.1903 -206085.4551 17615.6002 0.0000 0.0000 34246.9990 -149414.0181 299.0876 -183661.0171 -149317.0737 298.2022 -97.1642 -66.6982 556961.1671 12.1881 12.1124 PRESSURE: 4786200 157.233 -40.1937 84.4777 -40.1932 24.6355 11.0117 84.4767 11.0131 -243.333 GPRESSURE: 4786200 173.086 -102.329 65.997 35.7187 13.6306 60.5459 110.49 -12.2647 -147.007 PRESSAVG: 4786200 13.6253 59.1642 -20.9621 59.1642 29.0777 -65.0643 -20.962 -65.0643 -79.4966 GPRESSAVG: 4786200 12.0967 59.3043 -18.7684 58.4746 29.8373 -64.47 -24.3178 -65.6697 -78.1325 TIMING: 4786200 CPU: 14370.8, 0.00295267/step Wall: 14370.8, 0.00295267/step, 0.175356 hours remaining, 209.984375 MB of memory in use. ENERGY: 4786200 727.7215 2050.7714 1943.9929 121.4127 -206279.2703 17719.0886 0.0000 0.0000 34116.5368 -149599.7465 297.9482 -183716.2833 -149503.1764 298.8529 -20.4880 13.2362 555207.6095 -12.2646 -12.0661 PRESSURE: 4786400 39.6684 98.0668 87.9831 98.0638 226.11 144.835 87.9839 144.835 52.2329 GPRESSURE: 4786400 97.4959 85.6308 119.309 115.428 238.407 154.508 49.7185 155.049 75.2084 PRESSAVG: 4786400 13.9872 29.665 40.2397 29.6651 -30.6815 -11.6628 40.2396 -11.6628 12.8024 GPRESSAVG: 4786400 13.9893 31.19 37.4765 28.8588 -30.4573 -9.18348 42.854 -12.2514 12.5925 TIMING: 4786400 CPU: 14371.4, 0.00297185/step Wall: 14371.4, 0.00297185/step, 0.17633 hours remaining, 209.984375 MB of memory in use. ENERGY: 4786400 694.8521 2107.9207 1918.7932 108.0766 -206718.0132 18098.7405 0.0000 0.0000 34161.9387 -149627.6914 298.3447 -183789.6300 -149529.0148 298.4625 106.0038 137.0369 556800.6780 -1.2973 -1.2918 PRESSURE: 4786600 125.51 23.9734 -105.122 23.9727 56.7416 -93.1701 -105.122 -93.1691 411.159 GPRESSURE: 4786600 158.376 -7.04114 -118.526 54.728 117.03 -85.6263 -52.826 -43.7204 417.136 PRESSAVG: 4786600 65.6104 -7.76826 -21.8411 -7.76825 -36.3209 -23.4619 -21.841 -23.4619 -26.4885 GPRESSAVG: 4786600 66.3897 -9.23359 -22.2893 -7.42123 -36.6606 -22.6296 -23.0034 -24.47 -26.5339 TIMING: 4786600 CPU: 14372, 0.00298207/step Wall: 14372, 0.00298207/step, 0.176771 hours remaining, 209.984375 MB of memory in use. ENERGY: 4786600 721.9974 2068.1675 1934.3578 117.5839 -206708.5323 17977.1947 0.0000 0.0000 34155.1044 -149734.1266 298.2850 -183889.2310 -149642.6665 298.5937 197.8032 230.8473 554514.8461 0.9337 1.0651 PRESSURE: 4786800 31.5604 -75.5371 -17.2918 -75.5384 -42.5686 -84.7939 -17.2908 -84.7949 212.702 GPRESSURE: 4786800 69.8828 -95.9597 -57.2567 -17.9385 -5.44432 -50.2281 -55.2559 -128.513 233.252 PRESSAVG: 4786800 16.4543 54.1225 -0.134499 54.1225 48.3468 -78.0067 -0.134531 -78.0066 -16.9447 GPRESSAVG: 4786800 16.7364 52.8448 0.157519 55.1894 48.2293 -77.3668 2.40742 -77.5698 -17.4624 TIMING: 4786800 CPU: 14372.6, 0.00297349/step Wall: 14372.6, 0.00297349/step, 0.176097 hours remaining, 209.984375 MB of memory in use. ENERGY: 4786800 766.4526 2030.6357 1943.2060 113.7793 -206333.0699 17793.1445 0.0000 0.0000 34101.5301 -149584.3216 297.8171 -183685.8518 -149488.8793 298.0828 67.2314 99.2301 555871.9601 15.9521 15.8344 PRESSURE: 4787000 40.2071 60.4787 5.7144 60.4784 -113.951 -165.148 5.71368 -165.15 -60.1512 GPRESSURE: 4787000 14.9246 101.665 36.8644 34.8763 -42.8215 -267.816 -5.15697 -168.934 -18.7576 PRESSAVG: 4787000 -8.69077 26.3253 52.259 26.3253 0.931574 -12.3413 52.2591 -12.3412 42.3545 GPRESSAVG: 4787000 -7.49517 29.8996 51.8788 24.3723 1.77382 -15.968 49.7057 -11.6166 40.3138 TIMING: 4787000 CPU: 14373.2, 0.00294905/step Wall: 14373.2, 0.00294905/step, 0.174486 hours remaining, 209.984375 MB of memory in use. ENERGY: 4787000 756.0591 2091.3404 1943.3908 98.5049 -206466.6727 17893.6472 0.0000 0.0000 34063.3700 -149620.3604 297.4839 -183683.7304 -149519.7593 298.4588 -44.6317 -15.5515 557265.2461 11.5318 11.5308 PRESSURE: 4787200 62.6656 -131.175 227.846 -131.175 -4.94754 -53.9988 227.846 -53.9998 -130.981 GPRESSURE: 4787200 51.2071 -177.209 176.695 -143.079 31.5659 -9.59099 217.773 -83.4961 -51.9658 PRESSAVG: 4787200 -17.155 -28.9654 42.734 -28.9654 3.08337 -12.3601 42.734 -12.3601 -29.5861 GPRESSAVG: 4787200 -18.4772 -30.8545 44.2506 -28.2842 2.19 -10.4653 42.3415 -12.8515 -26.8901 TIMING: 4787200 CPU: 14373.8, 0.00294808/step Wall: 14373.8, 0.00294808/step, 0.174264 hours remaining, 209.984375 MB of memory in use. ENERGY: 4787200 737.6809 2029.3962 1939.0943 123.3151 -206327.8768 17791.3637 0.0000 0.0000 34074.9578 -149632.0688 297.5851 -183707.0265 -149536.5034 298.5845 -24.4210 10.2691 556805.5566 -14.5526 -14.3924 PRESSURE: 4787400 -7.74257 87.7915 -150.147 87.792 -475.594 83.755 -150.147 83.7549 -13.396 GPRESSURE: 4787400 -68.9408 80.7438 -46.188 80.6945 -408.339 4.48213 -111.535 -7.03373 74.2004 PRESSAVG: 4787400 -42.2711 -3.47321 -35.4882 -3.47328 64.4351 -2.49322 -35.4881 -2.49316 24.4422 GPRESSAVG: 4787400 -41.3112 -2.51894 -35.1116 -3.94397 64.9087 -3.44594 -34.0022 -2.08443 22.7124 TIMING: 4787400 CPU: 14374.4, 0.00297448/step Wall: 14374.4, 0.00297448/step, 0.175659 hours remaining, 209.984375 MB of memory in use. ENERGY: 4787400 733.8290 2113.5040 1933.4002 115.0694 -206105.3229 17326.5634 0.0000 0.0000 34095.0881 -149787.8688 297.7609 -183882.9569 -149689.1912 297.5044 -165.5776 -134.3596 555601.1623 15.5354 15.4366 PRESSURE: 4787600 -120.018 -125.947 -73.1364 -125.947 -51.8068 -108.708 -73.1384 -108.708 -76.959 GPRESSURE: 4787600 -102.443 -107.131 -70.953 -83.3414 7.2719 -136.655 -44.8578 -69.6525 -52.5117 PRESSAVG: 4787600 -13.1658 -8.14224 -36.3965 -8.14221 15.0022 -52.3882 -36.3965 -52.3881 -5.40807 GPRESSAVG: 4787600 -12.7491 -9.6348 -38.4168 -6.9848 14.9028 -53.3457 -36.7011 -50.6694 -5.07405 TIMING: 4787600 CPU: 14375, 0.00299774/step Wall: 14375, 0.00299774/step, 0.176867 hours remaining, 209.984375 MB of memory in use. ENERGY: 4787600 772.8228 2039.5584 1956.9497 111.5363 -206845.0009 17963.4203 0.0000 0.0000 34353.8663 -149646.8471 300.0209 -184000.7134 -149556.4514 298.8927 -82.9279 -49.2277 555929.4580 -1.1906 -0.9735 PRESSURE: 4787800 302.501 -32.4172 75.0585 -32.4179 349.967 39.969 75.0598 39.9682 146.052 GPRESSURE: 4787800 286.914 -117.079 0.844221 81.8328 431.922 1.35866 118.257 31.3943 174.29 PRESSAVG: 4787800 40.7659 -5.44848 -39.9682 -5.44839 -25.7778 -10.8011 -39.9683 -10.8012 14.4093 GPRESSAVG: 4787800 39.7538 -5.79495 -37.7083 -6.42276 -25.1432 -10.6085 -41.2494 -11.3231 15.0007 TIMING: 4787800 CPU: 14375.5, 0.00294517/step Wall: 14375.5, 0.00294517/step, 0.173601 hours remaining, 209.984375 MB of memory in use. ENERGY: 4787800 695.1874 2079.5488 1931.7282 106.6982 -206976.1086 18251.1830 0.0000 0.0000 34382.5872 -149529.1759 300.2717 -183911.7631 -149436.9130 298.8408 266.1731 297.7087 556076.1780 9.7991 9.8705 PRESSURE: 4788000 -55.1019 157.587 -49.2436 157.587 -58.1146 49.5076 -49.2437 49.5074 49.5763 GPRESSURE: 4788000 -24.6072 150.539 -32.1629 119.452 -41.1827 40.1718 -2.26461 40.903 92.5846 PRESSAVG: 4788000 -29.3117 9.02939 13.7587 9.02928 -28.5941 -40.0521 13.7588 -40.0521 27.3406 GPRESSAVG: 4788000 -30.4195 9.67519 13.6026 9.02746 -28.4791 -40.4966 15.2706 -40.2207 28.2321 TIMING: 4788000 CPU: 14376.1, 0.00296273/step Wall: 14376.1, 0.00296273/step, 0.174472 hours remaining, 209.984375 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: 4788000 781.6529 2089.7586 1939.9081 110.9934 -206565.9289 17812.1346 0.0000 0.0000 34252.1130 -149579.3683 299.1322 -183831.4813 -149479.5556 298.7498 -21.2134 8.9316 555528.6098 -10.1884 -10.2222 PRESSURE: 4788200 53.436 -55.2776 170.789 -55.2787 -88.0028 -64.8878 170.789 -64.8875 -94.3509 GPRESSURE: 4788200 113.012 -60.6605 155.769 -20.5444 -5.20774 0.482611 138.487 -54.4298 -135.526 PRESSAVG: 4788200 -0.319199 -19.8264 -13.2083 -19.8264 23.4195 8.07286 -13.2084 8.07288 -24.6912 GPRESSAVG: 4788200 0.38859 -19.7967 -15.8086 -19.7939 23.4681 8.25772 -12.5436 6.72244 -25.0064 TIMING: 4788200 CPU: 14376.7, 0.00299815/step Wall: 14376.7, 0.00299815/step, 0.176391 hours remaining, 209.984375 MB of memory in use. ENERGY: 4788200 786.1160 2045.2224 1909.1013 96.9268 -206623.2408 17909.9116 0.0000 0.0000 34147.9317 -149728.0309 298.2224 -183875.9626 -149625.1909 297.9719 -42.9726 -9.2406 556665.1608 -0.5303 -0.3832 LDB: ============= START OF LOAD BALANCING ============== 14380.3 LDB: ============== END OF LOAD BALANCING =============== 14380.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14380.3 LDB: ============= START OF LOAD BALANCING ============== 14380.6 LDB: Largest compute 4773 load 0.027545 is 23.3% of average load 0.118172 LDB: Average compute 0.001732 is 1.5% of average load 0.118172 LDB: TIME 14380.6 LOAD: AVG 0.118172 MAX 0.208182 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.332 MB LDB: TIME 14380.6 LOAD: AVG 0.118172 MAX 0.208182 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.402 MB LDB: TIME 14380.6 LOAD: AVG 0.118172 MAX 0.208182 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.402 MB LDB: ============== END OF LOAD BALANCING =============== 14380.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14380.6 PRESSURE: 4788400 -197.825 -53.3086 -20.707 -53.3071 -316.696 -78.7043 -20.7082 -78.7041 49.4878 GPRESSURE: 4788400 -153.165 -20.7154 -29.2423 -74.6987 -266.144 -189.613 20.966 -47.9898 47.5627 PRESSAVG: 4788400 -0.72136 -34.7027 10.376 -34.7027 -3.10039 4.70742 10.376 4.70742 17.898 GPRESSAVG: 4788400 -0.133249 -33.863 13.0074 -35.466 -2.85156 4.75723 9.44869 6.00243 16.9498 TIMING: 4788400 CPU: 14377.3, 0.00304892/step Wall: 14377.3, 0.00304892/step, 0.179209 hours remaining, 210.777344 MB of memory in use. ENERGY: 4788400 740.6314 2130.8445 1948.9860 110.4840 -206543.7623 17729.1834 0.0000 0.0000 34118.0668 -149765.5662 297.9616 -183883.6330 -149663.4795 298.0549 -155.0111 -123.9156 556623.2604 4.6921 4.6550 PRESSURE: 4788600 -55.3382 2.93829 147.76 2.93769 -149.102 200.997 147.759 200.998 -92.0797 GPRESSURE: 4788600 -11.9985 -98.0429 178.517 13.6009 -157.988 173.755 82.7505 284.673 -25.0513 PRESSAVG: 4788600 39.741 -14.7114 49.3551 -14.7113 -63.1819 26.9196 49.3551 26.9198 -11.8926 GPRESSAVG: 4788600 39.2264 -17.3991 50.1106 -12.2396 -62.8983 26.1764 47.6967 26.8014 -11.323 TIMING: 4788600 CPU: 14377.9, 0.0029798/step Wall: 14377.9, 0.0029798/step, 0.174981 hours remaining, 211.050781 MB of memory in use. ENERGY: 4788600 734.3285 2036.2941 1950.4416 121.1065 -206388.3068 17838.8489 0.0000 0.0000 34067.4569 -149639.8303 297.5196 -183707.2872 -149542.5660 298.3262 -98.8400 -65.0126 558172.8897 -11.7778 -11.6649 PRESSURE: 4788800 67.1234 17.9401 -25.6533 17.9399 437.955 109.729 -25.6532 109.73 -7.31032 GPRESSURE: 4788800 160.859 -26.2416 -20.5947 22.8194 479.364 117.356 114.516 67.4229 -38.5399 PRESSAVG: 4788800 -8.14191 -8.95989 45.4451 -8.95993 8.07586 36.2511 45.4451 36.2511 -0.657172 GPRESSAVG: 4788800 -8.51589 -8.16525 43.0303 -8.15538 7.54127 36.8893 49.2886 35.767 -0.156776 TIMING: 4788800 CPU: 14378.5, 0.0029858/step Wall: 14378.5, 0.0029858/step, 0.175167 hours remaining, 211.050781 MB of memory in use. ENERGY: 4788800 773.4423 2087.3458 1913.3731 113.4351 -206534.0603 18041.9902 0.0000 0.0000 34053.6215 -149550.8522 297.3987 -183604.4737 -149459.8752 298.0344 165.9228 200.5611 556758.4496 -0.2411 -0.3771 PRESSURE: 4789000 161.451 -65.9444 79.8085 -65.9456 312.863 26.7678 79.8103 26.7681 117.473 GPRESSURE: 4789000 221.693 -129.686 102.607 -48.4909 350.707 60.0243 44.7209 -47.0104 128.08 PRESSAVG: 4789000 -1.08851 -4.25819 42.1257 -4.25823 0.526204 15.1998 42.1256 15.1997 -20.2161 GPRESSAVG: 4789000 -0.791448 -2.21809 41.5705 -8.44883 0.685816 14.773 40.8823 17.038 -20.3928 TIMING: 4789000 CPU: 14379.1, 0.00297149/step Wall: 14379.1, 0.00297149/step, 0.174162 hours remaining, 211.050781 MB of memory in use. ENERGY: 4789000 704.2991 2040.7797 1937.5794 111.2119 -206700.0437 18049.5219 0.0000 0.0000 34216.1674 -149640.4844 298.8183 -183856.6518 -149542.5111 297.9889 197.2623 233.4933 557173.4283 -6.9261 -6.8328 PRESSURE: 4789200 34.63 -71.3204 -9.85018 -71.321 96.0173 -114.846 -9.84911 -114.848 220.711 GPRESSURE: 4789200 14.3215 -23.2761 59.5915 -7.92476 135.604 -205.054 -28.619 -39.3095 297.872 PRESSAVG: 4789200 -42.8283 3.32959 10.3256 3.32954 25.4886 9.60074 10.3255 9.60067 13.6636 GPRESSAVG: 4789200 -42.6255 3.06333 11.8309 5.60061 25.2567 12.9302 10.0209 7.59556 13.8121 TIMING: 4789200 CPU: 14379.7, 0.00295696/step Wall: 14379.7, 0.00295696/step, 0.173146 hours remaining, 211.050781 MB of memory in use. ENERGY: 4789200 726.2398 2087.7653 1913.4109 108.1949 -206661.4394 18017.9091 0.0000 0.0000 34287.6532 -149520.2661 299.4426 -183807.9193 -149421.1356 298.3052 117.1195 149.2657 556352.9507 -1.2253 -1.1856 PRESSURE: 4789400 107.32 -80.6268 41.3478 -80.6264 -226.213 83.7305 41.3477 83.7304 55.6581 GPRESSURE: 4789400 132.914 -125.058 127.107 -40.3006 -134.128 40.3456 74.9872 50.3821 19.2289 PRESSAVG: 4789400 45.4039 42.917 6.82304 42.9169 -21.6356 19.8532 6.82306 19.8533 30.28 GPRESSAVG: 4789400 46.2958 41.579 6.03087 41.5789 -21.4463 17.2856 6.10392 19.4503 29.5008 TIMING: 4789400 CPU: 14380.3, 0.00297158/step Wall: 14380.3, 0.00297158/step, 0.173838 hours remaining, 211.050781 MB of memory in use. ENERGY: 4789400 734.3016 2110.4504 1936.0818 116.8271 -206477.5520 17759.5050 0.0000 0.0000 34174.2905 -149646.0956 298.4526 -183820.3861 -149553.5323 297.9748 -21.0783 6.0049 556834.6383 18.0161 18.1168 PRESSURE: 4789600 -247.809 -27.0885 -50.6569 -27.0895 -391.539 -27.0669 -50.6557 -27.0677 -276.06 GPRESSURE: 4789600 -226.669 -108.605 -112.982 12.3713 -336.119 -29.2186 -57.0442 -64.3021 -250.971 PRESSAVG: 4789600 -3.77185 -4.21762 -13.1187 -4.21759 9.42241 -13.9589 -13.1187 -13.9589 -6.5211 GPRESSAVG: 4789600 -4.47754 -2.69445 -14.4297 -3.71364 9.94589 -15.193 -13.2092 -10.6037 -6.09345 TIMING: 4789600 CPU: 14380.9, 0.00298888/step Wall: 14380.9, 0.00298888/step, 0.174684 hours remaining, 211.050781 MB of memory in use. ENERGY: 4789600 756.6691 2128.2730 1946.9936 118.4594 -206509.8981 17532.4271 0.0000 0.0000 34224.8595 -149802.2165 298.8942 -184027.0760 -149699.8707 297.8843 -305.1360 -271.2529 558195.9011 -0.2902 -0.2084 PRESSURE: 4789800 94.0892 30.7692 188.076 30.7683 -40.0309 117.209 188.078 117.21 54.2121 GPRESSURE: 4789800 125.04 82.314 168.371 -61.3211 26.8457 68.6232 238.398 121.018 36.5453 PRESSAVG: 4789800 -27.4409 -8.24295 -21.0798 -8.24287 -4.84943 24.8239 -21.0796 24.8238 6.76773 GPRESSAVG: 4789800 -27.2287 -10.4032 -18.2814 -7.66228 -4.87298 26.9549 -21.7731 22.6419 6.11314 TIMING: 4789800 CPU: 14381.5, 0.0029708/step Wall: 14381.5, 0.0029708/step, 0.173462 hours remaining, 211.050781 MB of memory in use. ENERGY: 4789800 722.3975 2112.5643 1927.7381 106.7438 -206707.5182 17940.4715 0.0000 0.0000 34088.2072 -149809.3958 297.7008 -183897.6030 -149710.0548 297.7092 36.0901 62.8102 557825.2697 -8.5075 -8.6629 PRESSURE: 4790000 -186.456 -147.185 25.148 -147.183 -224.86 -33.935 25.149 -33.9357 -226.09 GPRESSURE: 4790000 -98.4556 -156.519 71.3666 -209.717 -241.064 -119.404 77.8716 44.4336 -211.1 PRESSAVG: 4790000 -27.9024 -24.8567 15.817 -24.8566 -28.6785 33.2438 15.817 33.2439 37.3299 GPRESSAVG: 4790000 -29.5556 -24.5278 14.8801 -23.8044 -28.8377 33.5695 16.9 32.7172 38.854 TIMING: 4790000 CPU: 14382.1, 0.00297322/step Wall: 14382.1, 0.00297322/step, 0.173438 hours remaining, 211.050781 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: 4790000 739.9999 2090.4901 1939.1778 102.9290 -206438.8751 17672.9958 0.0000 0.0000 33915.1727 -149978.1096 296.1896 -183893.2824 -149884.6639 297.5473 -212.4684 -183.5399 558491.2001 -6.4170 -6.5131 PRESSURE: 4790200 30.1601 -72.0526 39.6687 -72.0537 197.313 -121.944 39.6683 -121.943 165.089 GPRESSURE: 4790200 83.3297 -81.7705 -8.28899 -78.9974 194.394 -63.1426 28.6316 -140.368 216.894 PRESSAVG: 4790200 -14.6539 36.8678 -23.885 36.8678 54.9989 37.7197 -23.885 37.7197 16.9873 GPRESSAVG: 4790200 -13.4714 40.0764 -25.1604 34.5306 54.9448 39.6139 -23.1691 36.2572 15.7173 TIMING: 4790200 CPU: 14382.7, 0.00301709/step Wall: 14382.7, 0.00301709/step, 0.175829 hours remaining, 211.050781 MB of memory in use. ENERGY: 4790200 697.5893 2088.3789 1931.9940 117.0329 -206928.3340 18018.0260 0.0000 0.0000 34184.1784 -149891.1346 298.5389 -184075.3130 -149802.4078 297.4183 130.8541 164.8724 557284.8668 19.1108 19.0635 PRESSURE: 4790400 -32.2833 62.9185 86.0023 62.9197 -7.48562 9.35044 86.0021 9.35092 -288.988 GPRESSURE: 4790400 43.6706 58.0989 43.653 91.6255 -23.5303 103.667 143.206 47.7752 -236.659 PRESSAVG: 4790400 20.4052 44.2422 30.9939 44.2421 1.82987 6.4545 30.9939 6.45445 -56.6961 GPRESSAVG: 4790400 20.8004 43.4095 32.3824 45.6627 0.492169 2.57781 29.157 8.97826 -55.4899 TIMING: 4790400 CPU: 14383.3, 0.00299705/step Wall: 14383.3, 0.00299705/step, 0.174495 hours remaining, 211.050781 MB of memory in use. ENERGY: 4790400 725.8483 2119.6574 1935.4606 116.7624 -206604.6318 17721.9510 0.0000 0.0000 34117.3010 -149867.6511 297.9549 -183984.9521 -149768.5435 297.9267 -109.5858 -72.1727 558211.0288 -11.4870 -11.3991 PRESSURE: 4790600 -210.176 -184.564 -0.265521 -184.563 115.041 -88.9042 -0.264769 -88.9038 6.52078 GPRESSURE: 4790600 -148.52 -170.444 -1.8386 -175.913 152.194 -190.499 16.6421 -79.3452 9.38925 PRESSAVG: 4790600 45.1963 -14.4737 35.131 -14.4737 -7.76282 -33.8048 35.131 -33.8048 -26.0878 GPRESSAVG: 4790600 44.4482 -15.576 34.0661 -14.1633 -6.1598 -34.0649 35.9483 -34.1262 -27.3267 TIMING: 4790600 CPU: 14383.9, 0.00300146/step Wall: 14383.9, 0.00300146/step, 0.174585 hours remaining, 211.050781 MB of memory in use. ENERGY: 4790600 743.3735 2058.2022 1885.9184 111.3860 -206778.7663 17976.3590 0.0000 0.0000 34066.2848 -149937.2423 297.5093 -184003.5272 -149843.4503 297.6092 -29.5380 4.3543 559360.2521 3.7819 3.6539 PRESSURE: 4790800 -124.831 16.6394 84.0108 16.6394 66.7105 -99.1953 84.0114 -99.1985 -156.806 GPRESSURE: 4790800 -103.035 -60.0972 77.8608 73.8829 115.346 -143.842 38.3295 -42.9477 -127.425 PRESSAVG: 4790800 -27.7305 -73.0134 39.5094 -73.0136 28.1591 -22.0957 39.5094 -22.0957 -28.1665 GPRESSAVG: 4790800 -26.5597 -72.5492 40.1149 -74.619 27.644 -21.365 38.5354 -20.4619 -29.0706 TIMING: 4790800 CPU: 14384.5, 0.00298649/step Wall: 14384.5, 0.00298649/step, 0.173548 hours remaining, 211.050781 MB of memory in use. ENERGY: 4790800 764.8699 2090.4318 1930.4793 107.8614 -206497.3708 17973.7083 0.0000 0.0000 33903.2197 -149726.8004 296.0853 -183630.0201 -149633.2701 297.2137 -71.6421 -38.3711 558690.7424 -9.2460 -9.3288 PRESSURE: 4791000 -1.16738 51.5273 119.714 51.5267 -174.505 -13.8891 119.713 -13.8898 -136.244 GPRESSURE: 4791000 37.0415 106.903 144.779 48.3319 -144.062 10.6117 68.3728 -85.802 -89.9237 PRESSAVG: 4791000 -50.3706 2.75824 30.4245 2.75829 29.9188 -42.6751 30.4245 -42.6751 31.7387 GPRESSAVG: 4791000 -51.7101 1.82706 31.3581 5.32442 29.7108 -43.0216 30.1089 -44.0457 33.0322 TIMING: 4791000 CPU: 14385.1, 0.00297961/step Wall: 14385.1, 0.00297961/step, 0.172983 hours remaining, 211.050781 MB of memory in use. ENERGY: 4791000 727.9337 2057.4763 1907.6274 111.1212 -206108.1012 17602.7177 0.0000 0.0000 33919.3341 -149781.8907 296.2260 -183701.2249 -149688.0144 297.5695 -103.9718 -65.6480 556977.0416 3.7623 3.6776 PRESSURE: 4791200 -157.038 -67.865 -41.5783 -67.8651 -233.089 -201.221 -41.5778 -201.222 -163.604 GPRESSURE: 4791200 -89.7589 -84.2107 -19.2534 -66.8121 -271.913 -151.114 -41.594 -159.635 -94.8004 PRESSAVG: 4791200 9.00788 -41.6452 31.0154 -41.6451 -10.6419 -34.0946 31.0153 -34.0946 34.2224 GPRESSAVG: 4791200 9.8194 -39.929 30.5663 -45.7485 -11.3878 -33.8235 33.5334 -34.6171 34.2421 TIMING: 4791200 CPU: 14385.7, 0.00301094/step Wall: 14385.7, 0.00301094/step, 0.174634 hours remaining, 211.050781 MB of memory in use. ENERGY: 4791200 762.1229 2071.1936 1915.1881 110.8607 -206460.4664 17772.5305 0.0000 0.0000 33988.5647 -149840.0058 296.8306 -183828.5705 -149745.1146 297.4799 -184.5766 -152.1574 557407.2587 10.8628 10.8912 PRESSURE: 4791400 -14.806 130.5 9.74226 130.499 141.072 85.1488 9.74154 85.1506 -71.3273 GPRESSURE: 4791400 29.3824 91.1502 -33.0271 100.75 173.16 40.5297 53.4514 71.2621 -46.8195 PRESSAVG: 4791400 -47.4844 -53.563 21.1438 -53.5629 -1.50323 26.832 21.1438 26.8321 2.56117 GPRESSAVG: 4791400 -47.0672 -54.4869 20.7161 -50.7741 -1.04203 29.3357 21.4605 24.2391 2.03074 TIMING: 4791400 CPU: 14386.3, 0.00299371/step Wall: 14386.3, 0.00299371/step, 0.173469 hours remaining, 211.050781 MB of memory in use. ENERGY: 4791400 733.9818 2048.7200 1943.9729 109.0786 -206712.7460 18088.8253 0.0000 0.0000 33967.3594 -149820.8079 296.6454 -183788.1673 -149728.3149 297.1763 18.3130 51.9077 558458.0850 -15.4755 -15.3595 PRESSURE: 4791600 -120.327 13.7338 79.9919 13.7327 43.914 5.65336 79.9929 5.65334 53.7892 GPRESSURE: 4791600 -140.9 3.97116 40.3636 -25.8945 45.1654 18.6318 90.423 9.64939 172.51 PRESSAVG: 4791600 6.73135 -24.9307 62.6635 -24.9306 37.2548 -25.226 62.6635 -25.226 -3.42735 GPRESSAVG: 4791600 6.01402 -24.8177 64.1044 -24.7374 36.8903 -26.824 59.8001 -22.8742 -2.42688 TIMING: 4791600 CPU: 14386.9, 0.00296632/step Wall: 14386.9, 0.00296632/step, 0.171717 hours remaining, 211.050781 MB of memory in use. ENERGY: 4791600 775.6752 2097.7609 1940.8675 107.9354 -206823.1864 17962.9009 0.0000 0.0000 34213.2245 -149724.8220 298.7926 -183938.0465 -149629.9325 297.6437 -7.5414 25.5915 556615.0718 13.5196 13.4925 PRESSURE: 4791800 -17.9833 24.1233 61.2383 24.122 245.288 -11.046 61.2391 -11.047 -195.667 GPRESSURE: 4791800 61.3726 13.9511 41.2088 -39.4839 298.116 34.7115 56.6316 -95.0494 -226.372 PRESSAVG: 4791800 -32.3868 -21.7224 29.4528 -21.7224 -30.7665 -22.0401 29.4528 -22.0402 73.126 GPRESSAVG: 4791800 -32.4097 -22.083 26.7941 -22.4782 -30.2111 -23.037 31.7061 -22.4476 72.5076 TIMING: 4791800 CPU: 14387.5, 0.00295296/step Wall: 14387.5, 0.00295296/step, 0.170779 hours remaining, 211.285156 MB of memory in use. ENERGY: 4791800 749.1993 2088.5212 1932.4256 108.6713 -206934.4143 18063.2630 0.0000 0.0000 34173.7212 -149818.6127 298.4476 -183992.3339 -149722.5905 297.9063 10.5460 44.3722 557211.9208 3.3242 3.2956 PRESSURE: 4792000 -133.774 -84.1095 206.458 -84.1106 -78.1947 91.6289 206.459 91.6295 -291.677 GPRESSURE: 4792000 -75.1737 -30.8978 195.841 -117 -74.8904 11.9108 261.213 192.365 -266.002 PRESSAVG: 4792000 -61.1954 -0.830945 -3.96904 -0.830915 85.325 -13.5051 -3.96901 -13.505 -7.43837 GPRESSAVG: 4792000 -59.9242 -0.0778977 -2.82613 0.273809 84.9933 -12.5345 -3.43744 -13.247 -8.62646 TIMING: 4792000 CPU: 14388.1, 0.00296269/step Wall: 14388.1, 0.00296269/step, 0.171178 hours remaining, 211.285156 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: 4792000 758.2976 2092.5448 1947.4433 102.9862 -206313.9894 17625.0546 0.0000 0.0000 34138.9756 -149648.6875 298.1442 -183787.6631 -149550.2636 297.8015 -167.8818 -138.6886 557706.8701 5.5637 5.4809 PRESSURE: 4792200 -41.9315 -154.818 -103.661 -154.818 80.8502 -133.72 -103.661 -133.719 -103.165 GPRESSURE: 4792200 -9.92776 -186.16 -33.3502 -119.402 76.017 -91.745 -143.34 -101.427 -35.3136 PRESSAVG: 4792200 4.54009 -4.42123 21.22 -4.42134 26.4185 -23.8275 21.2201 -23.8274 -44.0137 GPRESSAVG: 4792200 3.75428 -7.01916 20.0853 -4.41342 25.528 -23.5244 22.6023 -24.628 -42.4841 TIMING: 4792200 CPU: 14388.7, 0.00300465/step Wall: 14388.7, 0.00300465/step, 0.173435 hours remaining, 211.285156 MB of memory in use. ENERGY: 4792200 724.4090 2043.2234 1950.1682 116.9612 -206821.9013 18055.3092 0.0000 0.0000 34282.6312 -149649.1991 299.3987 -183931.8303 -149547.6791 297.7361 -21.4155 10.2585 559571.4776 -4.3517 -4.4006 LDB: ============= START OF LOAD BALANCING ============== 14392.2 LDB: ============== END OF LOAD BALANCING =============== 14392.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14392.2 LDB: ============= START OF LOAD BALANCING ============== 14392.5 LDB: Largest compute 4773 load 0.027884 is 23.6% of average load 0.118226 LDB: Average compute 0.001728 is 1.5% of average load 0.118226 LDB: TIME 14392.5 LOAD: AVG 0.118226 MAX 0.213182 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.723 MB LDB: TIME 14392.5 LOAD: AVG 0.118226 MAX 0.213182 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.754 MB LDB: TIME 14392.5 LOAD: AVG 0.118226 MAX 0.213182 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.754 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14392.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14392.5 PRESSURE: 4792400 162.899 -47.2932 140.814 -47.2938 157.514 -209.86 140.815 -209.859 -252.305 GPRESSURE: 4792400 171.22 -36.6471 133.816 -94.0861 160.286 -197.082 163.741 -270.275 -164.467 PRESSAVG: 4792400 -9.05356 -20.5219 54.3958 -20.5218 18.6259 -68.3051 54.3957 -68.3052 -11.7743 GPRESSAVG: 4792400 -10.1542 -15.8834 55.6421 -24.3994 19.3371 -65.9202 52.8071 -69.9829 -11.3612 TIMING: 4792400 CPU: 14389.3, 0.00307605/step Wall: 14389.3, 0.00307605/step, 0.177386 hours remaining, 210.515625 MB of memory in use. ENERGY: 4792400 786.9265 2036.8439 1948.6576 129.2322 -206743.7384 17969.8123 0.0000 0.0000 34319.1391 -149553.1269 299.7176 -183872.2660 -149456.9116 298.8706 22.7030 55.6794 556592.1876 -0.7340 -0.7261 PRESSURE: 4792600 94.6233 114.187 180.307 114.189 69.0984 -122.623 180.307 -122.622 114.522 GPRESSURE: 4792600 119.047 218.015 106.816 38.9849 79.7124 -174.627 190.725 -106.092 181.478 PRESSAVG: 4792600 -107.163 39.6454 1.47314 39.6454 44.42 -42.3751 1.47308 -42.3749 20.1076 GPRESSAVG: 4792600 -107.439 39.3694 2.18318 44.0072 44.3306 -46.1341 1.59828 -39.7596 20.4134 TIMING: 4792600 CPU: 14389.9, 0.00302813/step Wall: 14389.9, 0.00302813/step, 0.174454 hours remaining, 210.515625 MB of memory in use. ENERGY: 4792600 760.6155 2057.6956 1981.5787 100.1924 -206688.5236 18085.7193 0.0000 0.0000 34250.8907 -149451.8314 299.1215 -183702.7221 -149355.3672 298.6407 92.7479 126.7458 556148.6240 -14.2119 -14.2317 PRESSURE: 4792800 -84.1515 138.605 67.0564 138.605 235.184 161.667 67.0582 161.666 3.92255 GPRESSURE: 4792800 -66.724 222.863 57.6003 116.625 303.016 204.047 53.3046 188.315 14.5958 PRESSAVG: 4792800 8.11062 17.1229 60.6802 17.1229 16.8358 -8.57455 60.6802 -8.57442 -22.2693 GPRESSAVG: 4792800 8.9547 16.7184 60.4201 14.6697 17.5308 -5.94773 59.4244 -8.81848 -23.7885 TIMING: 4792800 CPU: 14390.5, 0.0029954/step Wall: 14390.5, 0.0029954/step, 0.172402 hours remaining, 210.515625 MB of memory in use. ENERGY: 4792800 772.5559 2091.2321 1953.4906 111.3381 -206575.6021 18107.4699 0.0000 0.0000 33906.6547 -149632.8609 296.1152 -183539.5156 -149534.9774 297.8359 51.6517 83.6292 556394.2804 0.8924 0.8990 PRESSURE: 4793000 -242.571 -10.2342 17.7134 -10.2337 -190.311 213.624 17.7125 213.623 137.297 GPRESSURE: 4793000 -223.731 -86.8048 17.2863 -50.0136 -128.277 168.257 -25.6136 227.056 144.524 PRESSAVG: 4793000 -68.0547 15.5296 23.005 15.5296 84.5739 11.9805 23.0049 11.9804 -21.8438 GPRESSAVG: 4793000 -68.6314 12.9945 22.5568 16.6808 84.2028 11.8242 23.4798 10.6563 -20.9709 TIMING: 4793000 CPU: 14391.1, 0.00300596/step Wall: 14391.1, 0.00300596/step, 0.172842 hours remaining, 210.515625 MB of memory in use. ENERGY: 4793000 706.5826 2073.6245 1969.6212 113.3750 -206525.5266 17788.0305 0.0000 0.0000 34039.8781 -149834.4146 297.2787 -183874.2928 -149737.0605 297.7646 -98.5283 -69.1614 556985.1833 -1.7749 -1.7998 PRESSURE: 4793200 -174.734 -171.115 -160.387 -171.115 -218.323 143.421 -160.386 143.421 -180.026 GPRESSURE: 4793200 -187.71 -102.642 -168.746 -181.952 -165.494 130.422 -202.134 85.7685 -121.925 PRESSAVG: 4793200 -40.093 -19.574 26.934 -19.574 17.571 33.2688 26.9341 33.2687 16.9299 GPRESSAVG: 4793200 -39.5836 -17.7985 26.6696 -19.5047 17.7135 32.9205 27.3993 33.1765 16.7492 TIMING: 4793200 CPU: 14391.7, 0.00300234/step Wall: 14391.7, 0.00300234/step, 0.172468 hours remaining, 210.515625 MB of memory in use. ENERGY: 4793200 728.6868 2058.9852 1980.8176 120.6100 -205956.2452 17404.5534 0.0000 0.0000 34058.3375 -149604.2546 297.4399 -183662.5921 -149506.0476 298.2180 -191.0275 -158.3759 556596.2019 -1.8640 -1.7070 PRESSURE: 4793400 -153.351 71.0366 85.9308 71.036 -83.081 39.1333 85.9318 39.1319 -150.975 GPRESSURE: 4793400 -178.193 -3.52273 88.8282 120.334 -62.2278 67.2124 82.1353 55.0479 -43.4557 PRESSAVG: 4793400 17.8111 8.00389 25.5748 8.00385 10.864 8.01788 25.5747 8.01785 -5.64224 GPRESSAVG: 4793400 16.0602 7.14963 25.1252 7.55921 10.8946 7.00662 28.0769 8.23264 -4.61014 TIMING: 4793400 CPU: 14392.3, 0.00304497/step Wall: 14392.3, 0.00304497/step, 0.174748 hours remaining, 210.515625 MB of memory in use. ENERGY: 4793400 733.5671 2103.6154 1944.8093 111.0834 -206031.2569 17541.5531 0.0000 0.0000 34250.0643 -149346.5644 299.1143 -183596.6287 -149246.0375 299.1279 -129.1358 -94.6254 557514.1353 7.6776 7.4482 PRESSURE: 4793600 -67.754 -38.9724 61.6782 -38.9725 -9.05794 -4.36215 61.6781 -4.35968 72.4042 GPRESSURE: 4793600 -9.8576 -68.6682 70.4282 -78.4014 52.6431 55.6306 107.228 35.1692 52.3569 PRESSAVG: 4793600 -35.6961 -48.6671 10.0606 -48.6671 24.06 27.1491 10.0605 27.1491 41.0799 GPRESSAVG: 4793600 -33.9429 -48.2303 11.7598 -49.3482 22.7005 26.6966 6.41096 28.5765 40.3894 TIMING: 4793600 CPU: 14392.9, 0.00304198/step Wall: 14392.9, 0.00304198/step, 0.174407 hours remaining, 210.585938 MB of memory in use. ENERGY: 4793600 711.6075 2098.4272 1956.6098 115.0702 -206126.9283 17686.5252 0.0000 0.0000 34088.7630 -149469.9254 297.7056 -183558.6884 -149369.6617 299.3261 -1.4693 31.7141 556269.5969 9.8146 9.7157 PRESSURE: 4793800 -59.882 -138.231 -66.5037 -138.231 -62.2135 38.2583 -66.5039 38.2569 -313.413 GPRESSURE: 4793800 -101.557 -117.039 -47.8745 -100.266 13.8147 126.104 -112.79 -45.0744 -242.739 PRESSAVG: 4793800 -11.6677 -72.0732 20.9692 -72.0732 37.6632 17.2514 20.9693 17.2514 -1.80636 GPRESSAVG: 4793800 -12.8493 -71.9497 18.5158 -71.3013 37.7815 17.9914 22.5629 17.4658 -0.710347 TIMING: 4793800 CPU: 14393.5, 0.00304193/step Wall: 14393.5, 0.00304193/step, 0.174235 hours remaining, 210.585938 MB of memory in use. ENERGY: 4793800 750.6731 2098.0938 1955.4592 110.7121 -205970.3046 17451.2702 0.0000 0.0000 34238.7123 -149365.3839 299.0152 -183604.0962 -149265.0239 298.2615 -145.1695 -110.1606 556764.4337 8.0630 8.0739 PRESSURE: 4794000 351.62 -3.08199 10.8157 -3.08249 257.679 -140.576 10.8161 -140.577 -10.2449 GPRESSURE: 4794000 357.997 -47.6215 21.0771 14.7707 311.024 -150.073 3.39446 -97.3914 17.5449 PRESSAVG: 4794000 26.3065 -61.926 46.6859 -61.9259 -7.34101 -2.19513 46.6859 -2.19505 -12.5651 GPRESSAVG: 4794000 26.5374 -63.5844 46.3023 -60.8804 -5.74818 -2.3608 48.6263 -1.58311 -13.8594 TIMING: 4794000 CPU: 14394.1, 0.00302644/step Wall: 14394.1, 0.00302644/step, 0.173179 hours remaining, 210.585938 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: 4794000 702.3170 2130.4089 1986.8383 121.0437 -206445.2138 17922.4701 0.0000 0.0000 34250.0814 -149332.0543 299.1145 -183582.1357 -149239.7478 298.8868 199.6848 228.8556 556616.1105 2.1335 2.3099 PRESSURE: 4794200 -132.764 120.626 32.8108 120.627 184.051 16.071 32.8121 16.0714 165.769 GPRESSURE: 4794200 -79.7488 106.829 112.25 178 234.781 47.8948 88.6448 63.4336 170.533 PRESSAVG: 4794200 16.0208 -35.6229 -80.5929 -35.6229 -10.7602 -11.6195 -80.593 -11.6195 30.7389 GPRESSAVG: 4794200 16.8148 -33.8874 -80.0912 -36.8271 -12.0238 -10.2712 -83.0233 -11.0544 30.8344 TIMING: 4794200 CPU: 14394.7, 0.00303552/step Wall: 14394.7, 0.00303552/step, 0.173531 hours remaining, 210.585938 MB of memory in use. ENERGY: 4794200 742.1791 2131.0458 1981.4923 125.9556 -206427.6794 17909.0756 0.0000 0.0000 34096.5012 -149441.4297 297.7732 -183537.9310 -149348.7736 298.7730 72.3518 108.5216 555683.3199 11.9998 11.8751 PRESSURE: 4794400 157.13 -57.3342 96.6593 -57.3343 12.9473 115.225 96.6582 115.226 11.5238 GPRESSURE: 4794400 164.515 -68.8249 78.69 -126.935 41.2194 24.1096 87.6509 186.376 75.0633 PRESSAVG: 4794400 -10.8955 -6.01121 -4.54367 -6.01121 18.5674 39.4162 -4.54375 39.4162 3.17836 GPRESSAVG: 4794400 -10.6106 -7.63156 -1.25925 -3.20258 18.5412 39.0781 -4.16139 38.5344 3.13444 TIMING: 4794400 CPU: 14395.3, 0.00297872/step Wall: 14395.3, 0.00297872/step, 0.170118 hours remaining, 210.585938 MB of memory in use. ENERGY: 4794400 733.1440 2119.5048 1953.3350 110.3953 -206519.0044 17993.9887 0.0000 0.0000 34260.9391 -149347.6975 299.2093 -183608.6366 -149251.9931 299.3480 60.5338 93.5993 556375.5271 3.6167 3.6884 PRESSURE: 4794600 -346.919 -0.76925 -61.6411 -0.77004 -137.544 -91.9988 -61.6413 -91.9976 -13.5066 GPRESSURE: 4794600 -284.646 -7.96219 -124.71 -43.1386 -126.811 -140.7 -9.89254 -53.8261 19.4676 PRESSAVG: 4794600 -76.2362 9.64929 23.7888 9.6493 0.362156 44.19 23.7889 44.1901 -1.35965 GPRESSAVG: 4794600 -77.2389 11.1392 21.6597 7.48523 1.69034 45.1309 24.2994 42.9826 -1.87198 TIMING: 4794600 CPU: 14395.9, 0.00300611/step Wall: 14395.9, 0.00300611/step, 0.171515 hours remaining, 210.585938 MB of memory in use. ENERGY: 4794600 718.9203 2093.3896 1941.0174 114.3179 -205618.2355 17313.1624 0.0000 0.0000 34129.3231 -149308.1048 298.0599 -183437.4279 -149207.0878 298.6012 -165.9898 -130.6630 556005.3823 -25.7446 -25.8069 PRESSURE: 4794800 -191.312 -167.055 23.9446 -167.055 -95.5417 187.249 23.9445 187.249 -67.9384 GPRESSURE: 4794800 -113.577 -248.58 -30.9514 -156.322 -107.233 201.13 88.4321 166.893 -38.8009 PRESSAVG: 4794800 -70.366 12.345 -18.7239 12.345 51.1239 7.8796 -18.7239 7.87962 39.4063 GPRESSAVG: 4794800 -69.9616 12.0266 -19.8853 13.0955 50.848 6.65316 -19.9725 8.25299 39.0856 TIMING: 4794800 CPU: 14396.5, 0.00297402/step Wall: 14396.5, 0.00297402/step, 0.169519 hours remaining, 210.585938 MB of memory in use. ENERGY: 4794800 735.5776 2122.7075 1964.8564 113.8504 -205917.8382 17513.1722 0.0000 0.0000 34276.8650 -149190.8091 299.3484 -183467.6741 -149089.3812 299.4682 -118.2639 -86.5371 557822.3793 6.7214 6.6573 PRESSURE: 4795000 24.1125 108.854 99.5903 108.855 43.4258 -164.076 99.5905 -164.076 255.637 GPRESSURE: 4795000 49.2661 65.295 159.426 42.8739 111.747 -193.873 -2.57204 -166.884 257.445 PRESSAVG: 4795000 9.94133 55.3215 15.1542 55.3216 -34.9194 26.123 15.1542 26.1229 55.6751 GPRESSAVG: 4795000 10.0341 53.768 16.237 56.51 -35.7151 24.8981 16.0828 28.8993 56.504 TIMING: 4795000 CPU: 14397.1, 0.00301011/step Wall: 14397.1, 0.00301011/step, 0.171409 hours remaining, 210.585938 MB of memory in use. ENERGY: 4795000 729.9820 2058.7196 1945.2557 123.7582 -206164.2051 17827.9986 0.0000 0.0000 34373.8552 -149104.6358 300.1954 -183478.4910 -149002.5062 299.5006 107.7252 139.4860 555559.3637 10.2323 10.2743 PRESSURE: 4795200 -284.814 -4.29305 -167.349 -4.29352 -40.1847 28.5669 -167.348 28.5687 -0.476871 GPRESSURE: 4795200 -205.186 15.232 -165.519 -34.2646 -65.84 132.685 -249.909 -35.5682 50.0679 PRESSAVG: 4795200 39.8898 -6.30946 -67.3633 -6.30941 37.567 21.6931 -67.3633 21.6931 -17.941 GPRESSAVG: 4795200 39.805 -5.71358 -66.5414 -7.97803 38.0647 22.3347 -67.4274 19.1239 -18.0866 TIMING: 4795200 CPU: 14397.7, 0.00305225/step Wall: 14397.7, 0.00305225/step, 0.173639 hours remaining, 210.585938 MB of memory in use. ENERGY: 4795200 736.6785 2047.7342 1937.9755 102.0213 -205657.7645 17578.4996 0.0000 0.0000 34350.5286 -148904.3268 299.9917 -183254.8553 -148805.1941 299.4055 -108.4918 -73.6526 556933.1575 19.8386 19.9277 PRESSURE: 4795400 -338.265 -5.81401 69.479 -5.81454 173.871 34.1282 69.48 34.1279 147.175 GPRESSURE: 4795400 -228.371 -68.1161 108.139 -25.499 178.025 28.2968 44.431 86.0445 130.519 PRESSAVG: 4795400 -76.5371 20.1893 -45.5994 20.1893 3.41433 8.14458 -45.5994 8.14459 0.980653 GPRESSAVG: 4795400 -76.0585 19.5436 -45.0068 18.5558 3.0799 8.67165 -44.8549 9.16413 0.72673 TIMING: 4795400 CPU: 14398.3, 0.00299136/step Wall: 14398.3, 0.00299136/step, 0.170009 hours remaining, 210.664062 MB of memory in use. ENERGY: 4795400 688.8583 2111.8360 1945.7799 119.0049 -205582.6988 17653.8238 0.0000 0.0000 34336.2346 -148727.1612 299.8669 -183063.3958 -148633.1793 299.4747 -5.7396 26.7244 557384.6130 -24.0474 -24.0840 PRESSURE: 4795600 -5.60886 -14.7458 -26.7145 -14.7469 -6.60361 -97.7171 -26.7159 -97.7161 276.278 GPRESSURE: 4795600 -4.04578 66.0922 -6.53385 -47.9626 46.8439 -82.0163 36.0804 -73.332 319.133 PRESSAVG: 4795600 -3.71174 -19.4044 -28.2533 -19.4043 -52.0587 40.7589 -28.2532 40.7589 99.501 GPRESSAVG: 4795600 -4.83016 -18.6749 -30.6255 -18.1963 -51.7904 43.821 -29.1678 39.5567 100.227 TIMING: 4795600 CPU: 14398.9, 0.00298012/step Wall: 14398.9, 0.00298012/step, 0.169205 hours remaining, 210.664062 MB of memory in use. ENERGY: 4795600 715.9999 2144.5943 1918.1201 111.2421 -205731.4107 17946.4652 0.0000 0.0000 34342.2571 -148552.7320 299.9195 -182894.9891 -148458.4050 301.1059 88.0218 120.6437 559228.2442 14.5769 14.5355 PRESSURE: 4795800 -67.8577 67.4665 -93.8112 67.468 23.5379 -111.832 -93.8111 -111.834 57.7827 GPRESSURE: 4795800 -17.2228 60.514 -89.4268 20.8702 24.5122 -116.858 -47.6692 -137.528 97.0126 PRESSAVG: 4795800 -48.482 18.0776 -0.126643 18.0777 15.5501 -30.8688 -0.126648 -30.8689 -56.4062 GPRESSAVG: 4795800 -47.9982 18.967 1.74324 16.9484 14.9224 -32.7273 0.787886 -31.5363 -56.1227 TIMING: 4795800 CPU: 14399.5, 0.00301388/step Wall: 14399.5, 0.00301388/step, 0.170954 hours remaining, 210.664062 MB of memory in use. ENERGY: 4795800 692.6213 2103.5672 1912.4312 114.1924 -205750.6770 17830.2052 0.0000 0.0000 34343.2981 -148754.3617 299.9286 -183097.6598 -148659.8538 300.1991 4.4876 34.7673 557772.2528 -29.7794 -29.7328 PRESSURE: 4796000 54.094 -126.306 -60.1885 -126.307 -136.765 -164.963 -60.1889 -164.963 -37.1663 GPRESSURE: 4796000 118.302 -191.921 -55.6129 -60.7968 -158.979 -103.031 -91.9643 -142.158 17.1086 PRESSAVG: 4796000 104.527 7.78175 25.2244 7.78168 -41.1408 -67.9645 25.2243 -67.9644 -24.2337 GPRESSAVG: 4796000 105.23 6.3253 24.2811 9.9985 -41.3061 -69.4267 24.153 -65.8762 -25.3235 TIMING: 4796000 CPU: 14400.1, 0.00299723/step Wall: 14400.1, 0.00299723/step, 0.169843 hours remaining, 210.664062 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: 4796000 736.2981 2103.7844 1918.6554 105.2114 -205704.1121 17513.7927 0.0000 0.0000 34428.0315 -148898.3387 300.6686 -183326.3702 -148804.2007 300.7462 -39.9458 -7.8563 556992.4251 13.0508 12.8667 PRESSURE: 4796200 107.247 -100.487 -62.5971 -100.487 346.686 210.766 -62.596 210.765 183.428 GPRESSURE: 4796200 170.024 -30.8752 -76.7257 -100.652 403.437 165.587 -42.2833 206.704 156.345 PRESSAVG: 4796200 33.2119 50.2173 13.5635 50.2173 -15.4766 -41.3363 13.5636 -41.3362 -63.4512 GPRESSAVG: 4796200 32.8796 50.1664 15.0518 49.5575 -15.0098 -41.4441 14.601 -40.3003 -63.3921 TIMING: 4796200 CPU: 14400.7, 0.00298665/step Wall: 14400.7, 0.00298665/step, 0.169078 hours remaining, 210.664062 MB of memory in use. ENERGY: 4796200 694.9627 2096.0347 1945.0708 116.6305 -206194.9043 17894.8736 0.0000 0.0000 34490.1292 -148957.2028 301.2109 -183447.3320 -148860.3100 299.9080 212.4535 243.2686 555601.0436 -15.2386 -15.1741 LDB: ============= START OF LOAD BALANCING ============== 14404.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14404.3 LDB: =============== DONE WITH MIGRATION ================ 14404.3 LDB: ============= START OF LOAD BALANCING ============== 14404.6 LDB: Largest compute 4773 load 0.027334 is 23.1% of average load 0.118257 LDB: Average compute 0.001740 is 1.5% of average load 0.118257 LDB: TIME 14404.6 LOAD: AVG 0.118257 MAX 0.212048 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.191 MB LDB: TIME 14404.6 LOAD: AVG 0.118257 MAX 0.212048 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.223 MB LDB: TIME 14404.6 LOAD: AVG 0.118257 MAX 0.212048 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.223 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14404.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14404.6 PRESSURE: 4796400 8.43746 48.4885 33.3791 48.4886 125.222 125.257 33.3808 125.258 -46.2675 GPRESSURE: 4796400 61.2816 -18.308 114.398 10.6224 104.255 99.4091 -38.6394 163.138 8.50315 PRESSAVG: 4796400 70.2352 -19.7312 9.80532 -19.7312 23.0977 24.5753 9.80521 24.5753 -50.3735 GPRESSAVG: 4796400 69.3891 -19.9434 9.83677 -18.9449 23.0185 25.6907 9.69369 22.4006 -49.4206 TIMING: 4796400 CPU: 14401.4, 0.00305766/step Wall: 14401.4, 0.00305766/step, 0.172928 hours remaining, 209.234375 MB of memory in use. ENERGY: 4796400 725.0893 2153.8736 1952.4223 111.0047 -206041.3123 17850.5284 0.0000 0.0000 34250.0669 -148998.3271 299.1144 -183248.3940 -148904.6782 299.8182 29.1305 58.0132 558302.3284 14.3198 14.3290 PRESSURE: 4796600 -75.3039 -137.661 134.063 -137.661 -157.324 -23.4797 134.062 -23.4796 -54.0104 GPRESSURE: 4796600 -77.1558 -177.532 171.112 -108.4 -112.413 1.39914 51.4112 45.6169 -19.4754 PRESSAVG: 4796600 15.2702 -1.1124 61.0903 -1.11238 -2.22329 -4.49238 61.0902 -4.49236 0.0353084 GPRESSAVG: 4796600 15.8308 -0.185169 61.2008 -2.37098 -2.71244 -4.58444 60.7031 -4.83854 -0.842838 TIMING: 4796600 CPU: 14402, 0.00301412/step Wall: 14402, 0.00301412/step, 0.170298 hours remaining, 209.304688 MB of memory in use. ENERGY: 4796600 714.9462 2081.4827 1923.5871 115.9586 -205997.3296 17787.0973 0.0000 0.0000 34350.4389 -149023.8187 299.9909 -183374.2576 -148931.6278 300.0146 -95.5461 -69.6815 558984.9269 4.3607 4.0918 PRESSURE: 4796800 96.3137 169.567 104.514 169.568 93.7273 158.324 104.515 158.324 36.7828 GPRESSURE: 4796800 132.275 99.812 70.283 176.024 161.183 226.058 92.1753 138.791 33.5156 PRESSAVG: 4796800 -41.1771 36.7592 71.6647 36.7592 -48.9229 11.6085 71.6647 11.6086 72.7093 GPRESSAVG: 4796800 -40.3269 36.9626 72.4105 36.7771 -49.0625 12.3607 71.0225 11.4795 71.7112 TIMING: 4796800 CPU: 14402.6, 0.0030439/step Wall: 14402.6, 0.0030439/step, 0.171811 hours remaining, 209.304688 MB of memory in use. ENERGY: 4796800 720.7523 2022.3589 1958.0729 111.1171 -206185.6247 18024.4317 0.0000 0.0000 34372.2950 -148976.5969 300.1818 -183348.8918 -148876.2712 299.7322 75.6079 108.9913 559501.9812 -5.7969 -5.8927 PRESSURE: 4797000 -269.243 -40.9493 -261.049 -40.9505 -86.7085 137.611 -261.049 137.61 -218.647 GPRESSURE: 4797000 -198.888 -59.4649 -190.091 -9.72551 -128.219 98.588 -207.352 158.175 -152.75 PRESSAVG: 4797000 38.2039 19.9293 -1.76934 19.9293 -53.1839 11.71 -1.76925 11.7101 13.7803 GPRESSAVG: 4797000 37.2619 19.7412 -3.20705 18.9626 -53.8747 11.0244 -0.989899 14.4315 15.2881 TIMING: 4797000 CPU: 14403.2, 0.00303555/step Wall: 14403.2, 0.00303555/step, 0.171171 hours remaining, 209.304688 MB of memory in use. ENERGY: 4797000 796.7790 2043.5081 1970.4127 112.0368 -206071.6136 17662.7078 0.0000 0.0000 34472.3491 -149013.8200 301.0556 -183486.1691 -148925.2549 300.0235 -191.5328 -159.9522 558051.7618 -0.3999 -0.4415 PRESSURE: 4797200 87.2469 152.734 -166.859 152.734 87.6808 -134.832 -166.859 -134.832 199.294 GPRESSURE: 4797200 162.769 123.442 -201.874 205.014 106.955 -154.004 -49.5254 -136.178 204.142 PRESSAVG: 4797200 53.7391 -19.9439 9.59779 -19.9438 -27.922 7.39202 9.59781 7.39208 -2.28547 GPRESSAVG: 4797200 53.4436 -22.8149 8.293 -17.1009 -26.802 6.69168 10.4097 6.75525 -3.28358 TIMING: 4797200 CPU: 14403.8, 0.00303088/step Wall: 14403.8, 0.00303088/step, 0.17074 hours remaining, 209.304688 MB of memory in use. ENERGY: 4797200 726.7589 2048.6512 1948.8632 106.3308 -206309.6909 18025.7768 0.0000 0.0000 34272.8428 -149180.4671 299.3133 -183453.3099 -149076.4935 299.3983 124.7407 157.9555 558615.4123 7.8439 7.7860 PRESSURE: 4797400 57.636 20.4692 -95.1369 20.4699 67.0408 162.287 -95.1378 162.286 257.011 GPRESSURE: 4797400 124.883 16.3266 -52.2028 -41.1724 63.4733 199.548 -91.3847 103.71 299.379 PRESSAVG: 4797400 36.9029 2.71049 -20.2822 2.71039 -44.5952 1.7036 -20.2821 1.70366 45.2262 GPRESSAVG: 4797400 37.7787 4.07312 -20.0186 0.348287 -44.4136 3.51167 -19.9114 0.746969 44.5983 TIMING: 4797400 CPU: 14404.4, 0.00301305/step Wall: 14404.4, 0.00301305/step, 0.169568 hours remaining, 209.304688 MB of memory in use. ENERGY: 4797400 707.9030 2112.6779 1945.0683 107.9016 -206373.0318 17956.6833 0.0000 0.0000 34353.6910 -149189.1066 300.0193 -183542.7977 -149098.2717 299.1976 127.2294 162.5783 556759.1260 12.5113 12.6544 PRESSURE: 4797600 -2.91893 35.5772 145.26 35.5772 -196.202 -59.495 145.26 -59.4967 -149.702 GPRESSURE: 4797600 -4.74097 29.6846 116.602 13.9981 -116.102 -101.797 144.021 -59.3935 -132.438 PRESSAVG: 4797600 -75.5246 -7.38157 -41.9333 -7.38154 -14.7837 -11.5874 -41.9333 -11.5876 97.2107 GPRESSAVG: 4797600 -75.5131 -6.04294 -39.912 -7.16917 -15.4467 -13.2095 -42.1863 -11.3401 97.9178 TIMING: 4797600 CPU: 14405, 0.00298705/step Wall: 14405, 0.00298705/step, 0.167938 hours remaining, 209.304688 MB of memory in use. ENERGY: 4797600 728.8754 2032.7364 1956.1827 112.1449 -205877.8141 17580.9706 0.0000 0.0000 34199.9795 -149266.9247 298.6769 -183466.9042 -149177.8288 299.2987 -116.2743 -84.4269 558479.5572 2.3008 2.3193 PRESSURE: 4797800 -66.7201 112.585 -14.1631 112.585 -353.37 -76.0009 -14.1618 -76.0014 -350.42 GPRESSURE: 4797800 -79.9532 86.0231 -83.8759 171.971 -294.594 -17.4753 83.8854 -119.135 -293.567 PRESSAVG: 4797800 -7.87534 -46.7746 1.75299 -46.7745 14.8376 12.436 1.75298 12.4359 5.96739 GPRESSAVG: 4797800 -8.93181 -48.6704 3.53491 -45.1754 15.3267 14.8691 1.86576 12.9344 6.64129 TIMING: 4797800 CPU: 14405.6, 0.00299973/step Wall: 14405.6, 0.00299973/step, 0.168485 hours remaining, 209.304688 MB of memory in use. ENERGY: 4797800 783.5669 2078.2159 1959.2612 96.2488 -206210.7484 17647.1170 0.0000 0.0000 34455.5133 -149190.8252 300.9086 -183646.3386 -149096.2317 299.4030 -256.8365 -222.7049 559203.0862 4.3099 4.3454 PRESSURE: 4798000 217.752 -45.9773 -53.313 -45.9776 109.545 -164.561 -53.3126 -164.561 305.198 GPRESSURE: 4798000 280.719 3.11807 -90.3406 -68.2277 173.311 -154.297 -97.4131 -145.281 280.826 PRESSAVG: 4798000 -25.9451 6.55342 -30.6364 6.5534 63.3221 -31.5122 -30.6364 -31.5123 -65.168 GPRESSAVG: 4798000 -25.0726 8.48383 -30.9994 3.96249 63.0741 -34.1412 -32.7839 -32.3764 -66.0707 TIMING: 4798000 CPU: 14406.2, 0.00301046/step Wall: 14406.2, 0.00301046/step, 0.16892 hours remaining, 209.304688 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: 4798000 751.3862 2098.8217 1946.1779 120.4218 -206369.1865 18123.8971 0.0000 0.0000 34154.4369 -149174.0450 298.2792 -183328.4819 -149081.0990 299.7324 210.8316 244.9517 556978.7789 -9.2636 -9.3564 PRESSURE: 4798200 183.297 -182.328 -201.464 -182.328 78.2791 4.57309 -201.465 4.57295 46.3528 GPRESSURE: 4798200 146.626 -195.541 -118.397 -172.373 146.27 50.1595 -167.444 36.0944 106.824 PRESSAVG: 4798200 -20.3296 4.62052 -35.8133 4.62055 68.7579 4.22793 -35.8133 4.22783 -30.3411 GPRESSAVG: 4798200 -20.9702 3.42495 -36.4908 4.52682 69.6082 4.93945 -35.4146 4.5083 -30.4313 TIMING: 4798200 CPU: 14406.8, 0.00296423/step Wall: 14406.8, 0.00296423/step, 0.166161 hours remaining, 209.304688 MB of memory in use. ENERGY: 4798200 733.3043 2106.9984 1940.3473 122.8420 -206442.6899 18055.4895 0.0000 0.0000 34416.1382 -149067.5702 300.5647 -183483.7084 -148968.1781 299.7610 102.6428 133.2400 558372.5251 6.0291 6.0689 PRESSURE: 4798400 52.1081 121.012 81.4738 121.011 -134.145 110.741 81.4752 110.74 -303.789 GPRESSURE: 4798400 81.3141 139.444 106.106 44.3727 -126.311 95.8993 41.2462 9.90222 -246.221 PRESSAVG: 4798400 -17.6274 -18.0676 -15.5961 -18.0677 -6.41405 -31.8222 -15.5961 -31.8222 28.1631 GPRESSAVG: 4798400 -18.1929 -16.2567 -15.0987 -17.7695 -5.92648 -32.9317 -14.8782 -32.2533 27.7115 TIMING: 4798400 CPU: 14407.4, 0.00298776/step Wall: 14407.4, 0.00298776/step, 0.167315 hours remaining, 209.304688 MB of memory in use. ENERGY: 4798400 757.8507 2057.0416 1953.8576 120.0720 -205973.4724 17598.8440 0.0000 0.0000 34391.3884 -149094.4181 300.3485 -183485.8065 -148992.8437 299.9125 -128.6088 -97.0728 557902.3140 1.3739 1.1974 PRESSURE: 4798600 -17.91 65.5034 -101.927 65.5034 -194.474 -103.428 -101.926 -103.426 -111.029 GPRESSURE: 4798600 59.1766 109.34 -66.8617 117.294 -171.629 -35.4955 -46.691 -180.036 -120.258 PRESSAVG: 4798600 -28.0096 -21.1097 -1.30317 -21.1096 1.93333 -33.3836 -1.30323 -33.3835 11.8189 GPRESSAVG: 4798600 -26.2999 -24.0929 -2.41514 -19.6647 0.498774 -33.8232 -3.04698 -33.6949 11.8167 TIMING: 4798600 CPU: 14408, 0.00297322/step Wall: 14408, 0.00297322/step, 0.166335 hours remaining, 209.304688 MB of memory in use. ENERGY: 4798600 787.4837 2012.7548 1943.0067 111.8921 -206021.9153 17628.5610 0.0000 0.0000 34371.5804 -149166.6366 300.1756 -183538.2170 -149068.2116 299.7871 -107.8046 -77.5702 558623.6767 -4.7525 -4.6615 PRESSURE: 4798800 -28.4313 87.0402 63.5976 87.0391 54.0389 -62.3315 63.5961 -62.3298 75.1317 GPRESSURE: 4798800 -14.9468 77.0668 57.1126 17.3912 96.5762 -124.428 78.8333 -102.376 112.118 PRESSAVG: 4798800 -1.8986 11.9682 16.4954 11.9682 12.1195 -18.9879 16.4956 -18.9879 -6.42937 GPRESSAVG: 4798800 -3.33972 12.9386 16.1815 12.0589 12.7548 -17.9509 17.9936 -19.3773 -5.9717 TIMING: 4798800 CPU: 14408.6, 0.00298525/step Wall: 14408.6, 0.00298525/step, 0.166842 hours remaining, 209.304688 MB of memory in use. ENERGY: 4798800 743.1165 2085.6621 1941.1132 113.8602 -205689.1394 17693.6513 0.0000 0.0000 34131.4327 -148980.3033 298.0783 -183111.7360 -148883.5262 299.6269 33.5797 64.5825 558806.8789 1.2639 1.1478 PRESSURE: 4799000 -312.757 60.7611 -130.251 60.7614 -289.312 117.402 -130.252 117.4 -33.4585 GPRESSURE: 4799000 -277.623 46.6044 -219.319 -24.281 -232.384 150.786 -97.4215 19.9784 -29.7682 PRESSAVG: 4799000 -33.6567 -12.6245 -45.7897 -12.6245 -30.0792 -24.4416 -45.7896 -24.4416 91.2937 GPRESSAVG: 4799000 -33.7095 -11.5777 -45.871 -13.9507 -29.3927 -23.9023 -45.0297 -24.4254 90.7113 TIMING: 4799000 CPU: 14409.2, 0.00298534/step Wall: 14409.2, 0.00298534/step, 0.166681 hours remaining, 209.304688 MB of memory in use. ENERGY: 4799000 734.0364 2082.7804 1938.1290 122.0806 -205627.9265 17402.9234 0.0000 0.0000 34383.1639 -148964.8129 300.2767 -183347.9768 -148867.8360 300.2354 -211.8423 -179.9252 558795.4729 9.1859 9.2030 PRESSURE: 4799200 33.386 51.6417 149.039 51.6439 -36.5543 -200.161 149.038 -200.161 426.965 GPRESSURE: 4799200 67.6894 49.5202 133.708 80.7492 29.774 -269.012 122.108 -153.963 421.6 PRESSAVG: 4799200 -78.7696 -50.1041 -15.817 -50.1041 22.8784 13.9016 -15.817 13.9015 66.9308 GPRESSAVG: 4799200 -79.4143 -49.7796 -16.6554 -50.1561 23.2247 13.3355 -16.9395 15.7086 67.4774 TIMING: 4799200 CPU: 14409.8, 0.00298649/step Wall: 14409.8, 0.00298649/step, 0.16658 hours remaining, 209.304688 MB of memory in use. ENERGY: 4799200 708.8664 2098.6014 1940.5622 114.0374 -206383.7578 18045.9434 0.0000 0.0000 34437.6034 -149038.1436 300.7522 -183475.7469 -148937.7348 300.0731 141.2657 173.0212 557452.8490 3.6799 3.7626 PRESSURE: 4799400 -37.1953 -33.5549 -57.2837 -33.5541 -81.4986 -139.568 -57.2836 -139.567 146.982 GPRESSURE: 4799400 7.78988 -73.5246 -69.1697 37.9389 -15.8649 -86.0195 -51.4207 -188.186 134.68 PRESSAVG: 4799400 -54.9692 51.4177 0.266032 51.4177 -0.486867 10.1871 0.266045 10.187 55.306 GPRESSAVG: 4799400 -53.7074 50.0369 1.81433 53.3443 -2.56563 11.2473 -0.276005 7.71695 56.3729 TIMING: 4799400 CPU: 14410.4, 0.00302077/step Wall: 14410.4, 0.00302077/step, 0.168324 hours remaining, 209.304688 MB of memory in use. ENERGY: 4799400 713.4171 2078.1781 1954.8514 102.1583 -206078.7692 17969.5617 0.0000 0.0000 34173.0842 -149087.5184 298.4420 -183260.6026 -148991.6730 299.4078 9.4295 42.2015 559361.6281 -0.0500 0.0333 PRESSURE: 4799600 -98.2713 -77.1159 46.8854 -77.1162 88.8922 43.3669 46.8859 43.3666 -6.1774 GPRESSURE: 4799600 -32.5357 -182.084 -49.3989 -42.171 156.829 169.767 71.2518 -5.11663 -46.2965 PRESSAVG: 4799600 -56.866 -15.6223 14.622 -15.6222 50.1123 -7.7698 14.622 -7.76965 52.6539 GPRESSAVG: 4799600 -57.7396 -14.6852 12.2277 -16.4213 50.8528 -9.36069 15.6462 -7.37472 52.3114 TIMING: 4799600 CPU: 14411, 0.0030168/step Wall: 14411, 0.0030168/step, 0.167935 hours remaining, 209.304688 MB of memory in use. ENERGY: 4799600 761.0169 2008.1816 1949.0310 112.6580 -205811.5357 17675.0095 0.0000 0.0000 34115.5516 -149190.0870 297.9396 -183305.6387 -149094.6887 299.6173 -5.1855 25.9989 557739.1311 15.3001 15.1415 PRESSURE: 4799800 -290.74 -47.7865 87.1493 -47.7861 -156.993 113.506 87.1478 113.505 -125.762 GPRESSURE: 4799800 -226.571 4.36796 78.3276 -51.6313 -167.778 133.494 119.041 78.6734 -76.4732 PRESSAVG: 4799800 -73.2698 11.693 38.7854 11.6931 65.0292 -28.5635 38.7855 -28.5634 -6.77893 GPRESSAVG: 4799800 -71.7014 12.0412 39.8736 10.1733 64.377 -28.3049 38.497 -28.3875 -8.02038 TIMING: 4799800 CPU: 14411.6, 0.00297998/step Wall: 14411.6, 0.00297998/step, 0.16572 hours remaining, 209.304688 MB of memory in use. ENERGY: 4799800 764.6318 2059.2499 1963.8473 119.1511 -205723.6881 17512.4538 0.0000 0.0000 34068.1812 -149236.1731 297.5259 -183304.3543 -149134.0840 298.5335 -191.1650 -156.9408 558910.6448 -5.0065 -5.1149 PRESSURE: 4800000 -248.845 -43.0098 -88.5529 -43.0098 -17.0048 -25.1475 -88.5525 -25.1485 -63.8416 GPRESSURE: 4800000 -233.159 -50.7423 -71.6213 -28.9222 -48.6258 -12.3701 -128.269 -7.31072 41.7737 PRESSAVG: 4800000 -2.92383 -8.7346 20.2883 -8.73455 13.0385 0.0997652 20.2881 0.0998089 -22.6094 GPRESSAVG: 4800000 -3.17949 -7.56886 22.1434 -5.67568 12.2456 2.21453 18.0373 -1.60564 -21.8443 TIMING: 4800000 CPU: 14412.2, 0.00296304/step Wall: 14412.2, 0.00296304/step, 0.164613 hours remaining, 209.304688 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: 4800000 751.0846 2118.8418 1917.4948 109.8168 -206008.7977 17676.8610 0.0000 0.0000 34282.4989 -149152.1998 299.3976 -183434.6986 -149062.5649 298.6044 -109.8973 -80.0038 558225.1348 -4.1649 -4.2594 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4800000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 4800000 WRITING COORDINATES TO RESTART FILE AT STEP 4800000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4800200 -53.4808 -166.213 105.102 -166.213 -91.123 -43.0428 105.102 -43.0411 45.6854 GPRESSURE: 4800200 -28.8746 -65.1704 112.277 -206.704 -34.6688 -36.0705 132.884 -83.6428 49.4737 PRESSAVG: 4800200 -51.3201 -5.55885 19.6934 -5.55888 22.7126 -4.1078 19.6934 -4.10774 38.8203 GPRESSAVG: 4800200 -51.9607 -6.46697 18.0858 -8.12843 23.2976 -4.79138 22.8627 -4.81105 38.9982 TIMING: 4800200 CPU: 14412.8, 0.00314634/step Wall: 14412.8, 0.00314634/step, 0.174622 hours remaining, 209.304688 MB of memory in use. ENERGY: 4800200 705.4664 2153.6509 1946.9892 106.9297 -206410.6260 17764.8422 0.0000 0.0000 34490.4541 -149242.2936 301.2137 -183732.7477 -149147.2180 299.6423 -32.9728 -4.6899 556776.3286 3.4042 3.4450 LDB: ============= START OF LOAD BALANCING ============== 14416.3 LDB: ============== END OF LOAD BALANCING =============== 14416.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14416.3 LDB: ============= START OF LOAD BALANCING ============== 14416.6 LDB: Largest compute 4773 load 0.026576 is 22.5% of average load 0.118203 LDB: Average compute 0.001735 is 1.5% of average load 0.118203 LDB: TIME 14416.6 LOAD: AVG 0.118203 MAX 0.209996 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.293 MB LDB: TIME 14416.6 LOAD: AVG 0.118203 MAX 0.209996 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.527 MB LDB: TIME 14416.6 LOAD: AVG 0.118203 MAX 0.209996 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.527 MB LDB: ============== END OF LOAD BALANCING =============== 14416.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14416.6 PRESSURE: 4800400 -21.804 94.4787 132.328 94.4779 28.4299 -8.04279 132.328 -8.04156 -253.195 GPRESSURE: 4800400 2.92121 124.121 120.882 41.2831 10.9199 17.0824 111.715 -19.2142 -161.7 PRESSAVG: 4800400 -62.8096 -36.6599 -26.4081 -36.6599 61.3081 -24.1777 -26.4081 -24.1777 -30.0277 GPRESSAVG: 4800400 -63.0203 -38.9409 -25.938 -36.1895 61.8732 -24.6155 -27.8023 -23.0174 -30.4729 TIMING: 4800400 CPU: 14413.4, 0.00304308/step Wall: 14413.4, 0.00304308/step, 0.168722 hours remaining, 208.976562 MB of memory in use. ENERGY: 4800400 733.8322 2139.8271 1923.2534 110.6976 -206140.6441 17644.2132 0.0000 0.0000 34434.8273 -149153.9934 300.7279 -183588.8207 -149057.9374 299.6879 -82.1896 -49.2862 558812.5143 -10.5097 -10.5400 PRESSURE: 4800600 -3.11984 26.9463 28.215 26.946 85.8371 171.202 28.2158 171.202 315.743 GPRESSURE: 4800600 24.4299 37.3732 68.844 53.6965 133.503 172.362 73.4051 133.812 336.449 PRESSAVG: 4800600 -1.87833 40.1044 -40.7851 40.1042 8.63258 35.8611 -40.7852 35.8611 -34.0826 GPRESSAVG: 4800600 -0.741737 41.449 -40.8672 39.0823 7.49037 37.3043 -39.1026 35.3943 -34.1415 TIMING: 4800600 CPU: 14414, 0.00300216/step Wall: 14414, 0.00300216/step, 0.166286 hours remaining, 209.179688 MB of memory in use. ENERGY: 4800600 730.0440 2020.0128 1953.8219 111.3609 -206166.0670 17831.2165 0.0000 0.0000 34326.8228 -149192.7881 299.7847 -183519.6109 -149090.3248 299.3711 132.8202 164.7941 557036.4660 -9.1094 -9.1310 PRESSURE: 4800800 47.1717 -101.791 25.855 -101.791 -204.185 114.477 25.8547 114.474 -119.399 GPRESSURE: 4800800 95.2467 -187.841 105.628 -96.2346 -172.249 178.461 -50.4801 7.63274 -103.211 PRESSAVG: 4800800 20.2398 11.5979 -26.9756 11.5978 -57.5581 30.3412 -26.9755 30.3411 58.9398 GPRESSAVG: 4800800 18.5697 10.85 -24.9298 12.6072 -55.8634 29.6507 -28.7388 32.7729 58.4334 TIMING: 4800800 CPU: 14414.6, 0.00298873/step Wall: 14414.6, 0.00298873/step, 0.165376 hours remaining, 209.179688 MB of memory in use. ENERGY: 4800800 735.1817 2088.8545 1957.7169 115.0684 -206199.6693 17824.9229 0.0000 0.0000 34283.8492 -149194.0757 299.4094 -183477.9249 -149096.6365 299.7015 -92.1373 -60.0708 558676.1277 7.2071 7.0466 PRESSURE: 4801000 -0.883279 -20.1378 145.811 -20.1384 -263.155 179.746 145.811 179.746 -154.211 GPRESSURE: 4801000 52.9682 -42.1889 154.768 6.08993 -230.14 184.479 220.914 127.454 -140.456 PRESSAVG: 4801000 63.6771 2.78485 25.0271 2.78478 -36.2947 72.5694 25.0271 72.5694 17.2928 GPRESSAVG: 4801000 64.3328 2.72976 23.7314 1.94083 -37.2414 71.3801 25.1298 72.5233 17.4767 TIMING: 4801000 CPU: 14415.2, 0.00301943/step Wall: 14415.2, 0.00301943/step, 0.166908 hours remaining, 209.179688 MB of memory in use. ENERGY: 4801000 751.5313 2064.8845 1981.9702 102.2519 -206226.8301 17686.4042 0.0000 0.0000 34405.2607 -149234.5273 300.4697 -183639.7880 -149140.2943 299.3760 -139.4165 -105.8761 559379.3570 14.8918 14.8560 PRESSURE: 4801200 180.572 72.4289 36.2956 72.4287 -129.297 128.291 36.2963 128.29 189.103 GPRESSURE: 4801200 146.911 119.818 -7.49549 113.772 -11.5671 51.4228 80.284 140.834 206.308 PRESSAVG: 4801200 -34.0547 53.2402 53.9873 53.2401 -9.04649 46.7008 53.9872 46.7009 28.5344 GPRESSAVG: 4801200 -34.0384 53.0558 53.2733 55.905 -8.00989 47.5331 53.788 47.1779 28.349 TIMING: 4801200 CPU: 14415.8, 0.0029851/step Wall: 14415.8, 0.0029851/step, 0.164844 hours remaining, 209.179688 MB of memory in use. ENERGY: 4801200 715.7017 2102.1053 1930.1622 109.2746 -206583.0283 17957.7956 0.0000 0.0000 34310.4627 -149457.5263 299.6418 -183767.9889 -149360.8236 299.0663 80.1260 113.8838 557555.8524 -4.8556 -4.5665 PRESSURE: 4801400 -351.472 138.469 26.8613 138.47 -106.46 206.377 26.8613 206.376 101.897 GPRESSURE: 4801400 -295.094 68.3542 72.3545 126.946 -122.963 200.141 1.77835 150.224 162.67 PRESSAVG: 4801400 -39.6724 53.243 65.5865 53.2429 -41.8159 47.8635 65.5866 47.8635 95.3845 GPRESSAVG: 4801400 -39.3485 53.254 65.0503 51.2909 -42.2094 49.231 68.1656 45.9336 95.705 TIMING: 4801400 CPU: 14416.4, 0.00297106/step Wall: 14416.4, 0.00297106/step, 0.163903 hours remaining, 209.179688 MB of memory in use. ENERGY: 4801400 778.9283 2073.0691 1962.7063 118.0370 -206289.8889 17873.4362 0.0000 0.0000 34096.5201 -149387.1919 297.7734 -183483.7120 -149299.4325 298.6459 -118.6786 -85.1292 559040.6553 4.6321 4.7157 PRESSURE: 4801600 -78.7939 69.6773 -134.279 69.6759 -231.573 -61.5115 -134.278 -61.5089 -35.7257 GPRESSURE: 4801600 -17.2416 110.811 -93.4641 83.5506 -172.15 -73.6847 -169.024 -25.4449 -69.8608 PRESSAVG: 4801600 24.6279 40.3713 28.3547 40.3713 -9.91887 11.9575 28.3546 11.9576 15.4901 GPRESSAVG: 4801600 25.2876 40.3516 29.9373 40.1837 -9.69584 9.48571 27.5796 13.6432 14.4623 TIMING: 4801600 CPU: 14417, 0.00301091/step Wall: 14417, 0.00301091/step, 0.165935 hours remaining, 209.472656 MB of memory in use. ENERGY: 4801600 699.9200 2021.9694 1930.8233 124.4409 -206047.1296 17569.7252 0.0000 0.0000 34286.7254 -149413.5254 299.4345 -183700.2508 -149314.5548 299.2975 -115.3642 -86.4176 556720.0661 10.0664 10.0180 PRESSURE: 4801800 -246.295 -40.0236 64.098 -40.0237 -500.032 -176.377 64.098 -176.376 -234.041 GPRESSURE: 4801800 -227.174 -40.1146 -6.74123 -74.4616 -438.463 -190.895 57.3515 -222.252 -211.712 PRESSAVG: 4801800 62.8859 18.2965 -27.515 18.2964 -42.3625 -32.508 -27.5149 -32.5079 -65.7037 GPRESSAVG: 4801800 62.0974 20.4484 -28.0887 16.3591 -42.0225 -31.972 -27.2807 -33.461 -65.4386 TIMING: 4801800 CPU: 14417.6, 0.00303489/step Wall: 14417.6, 0.00303489/step, 0.167088 hours remaining, 209.472656 MB of memory in use. ENERGY: 4801800 749.4795 2104.8203 1959.5779 119.6688 -205875.1222 17260.5881 0.0000 0.0000 34254.5661 -149426.4216 299.1536 -183680.9877 -149329.1143 299.1893 -326.7895 -292.4496 557208.3014 -15.0601 -15.1213 PRESSURE: 4802000 -148.923 -64.9126 183.143 -64.9131 70.6378 24.326 183.146 24.3261 184.155 GPRESSURE: 4802000 -81.8359 -78.3445 107.075 -13.8474 137.653 99.1911 223.234 76.5971 150.441 PRESSAVG: 4802000 30.6582 -6.4524 5.59888 -6.45231 -43.4834 -22.1371 5.59881 -22.137 -5.10821 GPRESSAVG: 4802000 29.913 -7.22257 6.38726 -3.32048 -43.3761 -20.4815 3.73097 -22.3563 -4.00596 TIMING: 4802000 CPU: 14418.2, 0.00301447/step Wall: 14418.2, 0.00301447/step, 0.165796 hours remaining, 209.472656 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: 4802000 733.3408 2104.8916 1957.9682 111.8865 -206398.2040 18055.5437 0.0000 0.0000 34007.5401 -149427.0332 296.9963 -183434.5734 -149334.6321 298.6211 35.2900 68.7527 558324.1748 -5.9778 -5.8230 PRESSURE: 4802200 134.765 -17.4621 258.567 -17.4621 15.3238 -3.53023 258.566 -3.53121 312.642 GPRESSURE: 4802200 161.184 -64.337 270.418 -37.4192 67.061 -23.0935 306.317 -100.774 334.048 PRESSAVG: 4802200 26.5582 -1.66266 63.2721 -1.66267 41.8252 -28.4641 63.2722 -28.4642 -71.2957 GPRESSAVG: 4802200 28.2032 -2.06582 65.4599 -0.450453 42.5802 -28.7642 62.8057 -29.4863 -73.7815 TIMING: 4802200 CPU: 14418.8, 0.00300361/step Wall: 14418.8, 0.00300361/step, 0.165032 hours remaining, 209.472656 MB of memory in use. ENERGY: 4802200 730.6966 2054.3793 1961.6082 101.8601 -206478.8556 18087.6131 0.0000 0.0000 34355.4711 -149187.2272 300.0349 -183542.6983 -149096.3837 298.5139 154.2436 187.4309 556660.9541 -0.9708 -0.9994 PRESSURE: 4802400 -97.9988 -6.38179 27.3441 -6.38067 -119.936 -68.3066 27.3447 -68.3079 -0.305738 GPRESSURE: 4802400 -22.2886 -7.95451 -40.319 -36.411 -104.89 -163.641 69.0431 -67.7483 4.12444 PRESSAVG: 4802400 4.70295 25.0849 -0.525327 25.0851 -3.9091 35.5399 -0.525226 35.5399 17.6324 GPRESSAVG: 4802400 4.15614 25.1577 -2.79667 21.6725 -4.27222 33.6152 -0.581195 36.3644 18.5871 TIMING: 4802400 CPU: 14419.4, 0.00301548/step Wall: 14419.4, 0.00301548/step, 0.165516 hours remaining, 209.472656 MB of memory in use. ENERGY: 4802400 755.8820 2126.1133 1936.7244 116.7860 -206491.7190 18054.0525 0.0000 0.0000 34325.7771 -149176.3837 299.7755 -183502.1608 -149080.1390 300.1369 -72.7469 -41.0181 559014.1562 6.1421 6.1570 PRESSURE: 4802600 75.4241 68.8819 16.2947 68.8838 100.638 -40.2828 16.2937 -40.2831 75.0456 GPRESSURE: 4802600 128.063 -32.5663 119.748 100.822 138.403 -9.89161 5.76561 -60.0058 86.8198 PRESSAVG: 4802600 87.0756 -15.6317 35.569 -15.6317 -37.3393 23.3892 35.569 23.3892 -38.3254 GPRESSAVG: 4802600 86.9373 -16.5061 37.4264 -13.6655 -37.1337 26.2262 35.4026 22.6043 -37.9508 TIMING: 4802600 CPU: 14420, 0.00300776/step Wall: 14420, 0.00300776/step, 0.164926 hours remaining, 209.472656 MB of memory in use. ENERGY: 4802600 763.9834 2087.3880 1958.0711 111.9929 -206201.6864 17875.4780 0.0000 0.0000 34248.6477 -149156.1253 299.1020 -183404.7730 -149058.1512 299.7331 83.7025 117.7621 557639.4375 3.8036 3.9509 PRESSURE: 4802800 46.9411 -285.663 45.358 -285.663 103.896 197.612 45.3581 197.613 -25.1157 GPRESSURE: 4802800 125.487 -316.309 96.2936 -310.164 86.2295 225.463 43.3934 66.6469 10.0644 PRESSAVG: 4802800 50.4792 -20.8999 -11.5111 -20.8998 10.9439 64.432 -11.5112 64.4321 -2.34482 GPRESSAVG: 4802800 50.3795 -19.8141 -14.0048 -22.1511 12.0124 62.6205 -11.7847 66.3873 -3.28932 TIMING: 4802800 CPU: 14420.6, 0.00300836/step Wall: 14420.6, 0.00300836/step, 0.164791 hours remaining, 209.472656 MB of memory in use. ENERGY: 4802800 724.5575 2108.6724 1943.1389 99.0820 -206253.1691 17733.8796 0.0000 0.0000 34580.0187 -149063.8201 301.9959 -183643.8387 -148967.3560 299.9762 41.9072 73.9271 555879.0335 19.6928 19.7009 PRESSURE: 4803000 175.985 -10.3226 39.6778 -10.3228 54.2179 43.5 39.6785 43.4982 92.5511 GPRESSURE: 4803000 270.425 -50.204 31.4888 58.2737 67.205 -10.3322 0.804629 100.621 84.6498 PRESSAVG: 4803000 18.6976 -33.8147 -17.5894 -33.8147 -47.1382 -23.1562 -17.5896 -23.1561 16.9382 GPRESSAVG: 4803000 18.024 -31.7503 -14.8967 -34.2848 -48.2121 -22.1111 -18.0761 -24.9857 18.1015 TIMING: 4803000 CPU: 14421.2, 0.0030284/step Wall: 14421.2, 0.0030284/step, 0.165721 hours remaining, 209.472656 MB of memory in use. ENERGY: 4803000 773.7948 2058.6429 1947.4795 119.7405 -206457.9744 18051.8430 0.0000 0.0000 34396.5898 -149109.8839 300.3940 -183506.4737 -149013.2311 300.1243 107.5846 140.7598 556860.2145 -3.8341 -4.0288 PRESSURE: 4803200 1.58386 92.8434 -165.955 92.8431 338.348 -1.00639 -165.954 -1.00601 323.69 GPRESSURE: 4803200 17.106 78.7249 -182.613 -12.8328 350.697 38.2704 -57.902 -32.2939 392.169 PRESSAVG: 4803200 -47.8057 28.9953 -16.6096 28.9952 -26.1912 3.51084 -16.6096 3.51074 46.7701 GPRESSAVG: 4803200 -48.1223 26.9906 -20.5159 29.5363 -26.8546 4.17519 -14.8605 4.76984 46.9587 TIMING: 4803200 CPU: 14421.8, 0.00304666/step Wall: 14421.8, 0.00304666/step, 0.166551 hours remaining, 209.472656 MB of memory in use. ENERGY: 4803200 760.2162 2072.5094 1934.3775 115.1371 -206473.2500 17984.6040 0.0000 0.0000 34294.5378 -149311.8680 299.5027 -183606.4058 -149218.8914 299.7306 221.2075 253.3238 555547.6525 -9.0756 -9.3394 PRESSURE: 4803400 -58.6625 -8.21859 90.2409 -8.21891 -131.751 -30.4688 90.2411 -30.4686 5.77706 GPRESSURE: 4803400 -39.7748 76.4322 94.7943 35.1558 -34.8551 -46.1002 98.6698 -54.4217 -19.8408 PRESSAVG: 4803400 -38.6511 23.0365 4.13273 23.0365 -16.3741 -22.0051 4.13268 -22.0051 28.3559 GPRESSAVG: 4803400 -38.515 21.4281 7.75632 24.9012 -16.0188 -23.5373 4.19815 -23.5058 27.4665 TIMING: 4803400 CPU: 14422.4, 0.00298709/step Wall: 14422.4, 0.00298709/step, 0.163128 hours remaining, 209.472656 MB of memory in use. ENERGY: 4803400 769.1861 2139.5686 1930.2300 107.5529 -206129.2720 17777.0695 0.0000 0.0000 34131.0855 -149274.5794 298.0753 -183405.6649 -149184.1750 299.1813 -61.5456 -31.4902 556580.2194 -8.8897 -9.0224 PRESSURE: 4803600 19.2743 57.191 -133.56 57.1915 118.952 -165.832 -133.561 -165.831 116.19 GPRESSURE: 4803600 44.3993 92.5819 -120.979 14.7834 156.51 -48.1458 -97.5892 -218.156 146.675 PRESSAVG: 4803600 2.53748 -46.4257 -12.0681 -46.4256 7.40172 -13.0714 -12.0682 -13.0713 34.5358 GPRESSAVG: 4803600 2.66106 -44.5577 -14.4937 -48.6256 6.65825 -13.4574 -12.8833 -11.5945 35.5292 TIMING: 4803600 CPU: 14423, 0.00299193/step Wall: 14423, 0.00299193/step, 0.163227 hours remaining, 209.472656 MB of memory in use. ENERGY: 4803600 754.5957 2097.7173 1948.1639 121.1613 -206406.9823 17872.2504 0.0000 0.0000 34204.6941 -149408.3997 298.7181 -183613.0937 -149310.5691 299.0789 84.8055 115.8613 555897.9830 14.8250 14.9495 PRESSURE: 4803800 87.9176 15.278 8.79318 15.2764 -17.7972 92.7725 8.7935 92.7722 -71.3081 GPRESSURE: 4803800 69.884 -9.62143 8.08758 -15.0762 23.3888 113.123 -41.2842 73.2347 12.2481 PRESSAVG: 4803800 34.559 4.31473 -35.0561 4.31473 -45.8282 -3.07544 -35.0561 -3.07542 27.3639 GPRESSAVG: 4803800 35.0415 4.43377 -32.674 6.41689 -45.3762 -2.57203 -34.7773 -3.39551 25.9966 TIMING: 4803800 CPU: 14423.6, 0.00300238/step Wall: 14423.6, 0.00300238/step, 0.16363 hours remaining, 209.472656 MB of memory in use. ENERGY: 4803800 744.5981 2036.4698 1933.9603 105.2402 -206549.8433 17848.8559 0.0000 0.0000 34239.3237 -149641.3953 299.0205 -183880.7189 -149541.2308 298.4928 -0.3959 35.1736 555485.1006 5.3649 5.2206 PRESSURE: 4804000 -186.105 18.3953 49.9532 18.3941 -4.41857 74.8374 49.9531 74.8372 -252.099 GPRESSURE: 4804000 -114.303 59.4694 37.949 -53.4017 25.581 -15.1408 -16.788 105.086 -249.717 PRESSAVG: 4804000 45.6193 -5.25459 32.4474 -5.25458 -50.3009 -41.9546 32.4474 -41.9547 -7.04659 GPRESSAVG: 4804000 44.96 -6.14084 31.8717 -6.28372 -50.3856 -45.012 30.7958 -41.0647 -6.24677 TIMING: 4804000 CPU: 14424.2, 0.00299968/step Wall: 14424.2, 0.00299968/step, 0.163316 hours remaining, 209.472656 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: 4804000 777.6820 2050.5741 1944.4270 118.0286 -206423.4534 17669.5869 0.0000 0.0000 34065.7356 -149797.4193 297.5045 -183863.1548 -149704.0768 297.6900 -147.5408 -112.8131 555462.7175 -3.9094 -3.8908 PRESSURE: 4804200 18.4042 116.972 50.0932 116.973 -167.065 66.143 50.0941 66.1441 -201.685 GPRESSURE: 4804200 58.1387 119.135 9.74059 40.6735 -107.709 56.4519 -1.38167 19.5173 -194.041 PRESSAVG: 4804200 68.0252 30.634 5.48578 30.6341 -23.4309 5.54206 5.48579 5.54208 -18.2522 GPRESSAVG: 4804200 68.3451 31.7839 4.91612 28.986 -23.375 7.19441 6.34292 4.59367 -18.3541 TIMING: 4804200 CPU: 14424.8, 0.00297975/step Wall: 14424.8, 0.00297975/step, 0.162065 hours remaining, 209.472656 MB of memory in use. ENERGY: 4804200 774.7830 2097.2651 1961.1491 102.7285 -206449.1585 17864.1964 0.0000 0.0000 33904.7247 -149744.3118 296.0984 -183649.0365 -149649.3530 297.8643 -116.7821 -81.2038 557183.9640 8.7807 8.8720 LDB: ============= START OF LOAD BALANCING ============== 14428.3 LDB: ============== END OF LOAD BALANCING =============== 14428.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14428.3 LDB: ============= START OF LOAD BALANCING ============== 14428.6 LDB: Largest compute 4773 load 0.026648 is 22.5% of average load 0.118224 LDB: Average compute 0.001729 is 1.5% of average load 0.118224 LDB: TIME 14428.6 LOAD: AVG 0.118224 MAX 0.213545 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.234 MB LDB: TIME 14428.6 LOAD: AVG 0.118224 MAX 0.213545 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.305 MB LDB: TIME 14428.6 LOAD: AVG 0.118224 MAX 0.213545 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.305 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14428.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14428.6 PRESSURE: 4804400 -279.391 10.9269 43.526 10.9253 -174.418 -4.32728 43.5286 -4.32756 -62.3405 GPRESSURE: 4804400 -187.316 55.7552 47.0969 -25.3141 -156.162 -76.5837 39.8684 74.6166 -74.291 PRESSAVG: 4804400 54.3155 -2.96862 12.3677 -2.96875 -40.6418 49.2399 12.3677 49.2399 -18.3027 GPRESSAVG: 4804400 54.7731 -1.89335 12.0128 -3.49856 -41.324 49.7529 13.2982 47.9943 -18.1667 TIMING: 4804400 CPU: 14425.4, 0.00301913/step Wall: 14425.4, 0.00301913/step, 0.164039 hours remaining, 209.035156 MB of memory in use. ENERGY: 4804400 770.0148 2067.6848 1925.2562 106.8807 -206256.9627 17607.6824 0.0000 0.0000 34067.2658 -149712.1780 297.5179 -183779.4438 -149605.1706 298.3805 -172.0499 -139.2563 557428.8789 -1.5430 -1.5725 PRESSURE: 4804600 -143.835 46.6774 -43.698 46.6781 125.392 -29.5605 -43.7 -29.5606 -34.804 GPRESSURE: 4804600 -96.3263 52.9736 -76.9202 5.73352 174.599 22.1933 -23.1031 -87.8683 -39.3428 PRESSAVG: 4804600 25.1539 54.4866 -21.9674 54.4866 38.9373 74.9629 -21.9673 74.9629 -65.6688 GPRESSAVG: 4804600 24.8536 52.7263 -21.5363 54.34 39.5452 76.7274 -19.3664 75.308 -65.4779 TIMING: 4804600 CPU: 14426, 0.00300576/step Wall: 14426, 0.00300576/step, 0.163146 hours remaining, 209.277344 MB of memory in use. ENERGY: 4804600 737.6477 2106.2061 1936.6943 106.9423 -206189.8783 17743.4997 0.0000 0.0000 34176.2059 -149382.6823 298.4693 -183558.8882 -149289.7250 298.4012 -17.7492 12.9765 558406.2395 -0.5259 -0.3597 PRESSURE: 4804800 128.701 121.807 83.6524 121.808 -55.3606 -27.9841 83.6515 -27.9825 -171.192 GPRESSURE: 4804800 175.189 92.8939 77.378 77.628 -3.12801 36.6489 121.277 -68.1958 -171.675 PRESSAVG: 4804800 17.1436 7.46172 29.6021 7.46173 -48.7645 36.6757 29.6021 36.6757 -30.2494 GPRESSAVG: 4804800 16.1109 9.17091 29.2976 8.22374 -48.1565 33.6539 28.0344 37.6244 -30.302 TIMING: 4804800 CPU: 14426.6, 0.00300337/step Wall: 14426.6, 0.00300337/step, 0.162849 hours remaining, 209.277344 MB of memory in use. ENERGY: 4804800 727.6486 2113.6957 1928.5767 108.8278 -206030.0248 17701.2381 0.0000 0.0000 34246.0418 -149203.9961 299.0792 -183450.0378 -149106.6422 298.4041 -32.6173 0.1288 557877.7877 -20.6234 -20.7825 PRESSURE: 4805000 53.123 25.7168 -70.4286 25.7164 186.765 -20.9711 -70.4287 -20.9702 177.641 GPRESSURE: 4805000 97.9713 52.8059 79.3789 67.9953 170.405 -61.0774 -78.3722 -47.6862 261.833 PRESSAVG: 4805000 -46.7295 9.27845 24.6041 9.27836 37.7014 4.34175 24.604 4.34179 -5.31142 GPRESSAVG: 4805000 -45.4539 9.83054 25.2916 10.05 37.2491 5.88931 25.078 1.91241 -6.56342 TIMING: 4805000 CPU: 14427.2, 0.00299008/step Wall: 14427.2, 0.00299008/step, 0.161963 hours remaining, 209.277344 MB of memory in use. ENERGY: 4805000 745.9602 2047.1042 1938.1020 110.5017 -206775.9938 18259.1145 0.0000 0.0000 34322.8814 -149352.3298 299.7503 -183675.2112 -149251.8705 299.1319 139.1762 176.7363 557475.6917 -4.7798 -4.9227 PRESSURE: 4805200 53.4416 14.6731 33.9146 14.6733 -202.208 -99.6513 33.9149 -99.6527 100.99 GPRESSURE: 4805200 50.6249 6.61276 16.3693 -67.1103 -156.099 -52.519 -3.23401 -73.9448 153.715 PRESSAVG: 4805200 7.76758 -6.67386 22.9052 -6.67391 15.9907 -28.5564 22.9052 -28.5564 3.04846 GPRESSAVG: 4805200 6.57447 -7.35515 22.9559 -7.38847 16.1158 -30.7564 22.3345 -26.6226 4.16164 TIMING: 4805200 CPU: 14427.8, 0.00297814/step Wall: 14427.8, 0.00297814/step, 0.16115 hours remaining, 209.277344 MB of memory in use. ENERGY: 4805200 747.2570 2091.0377 1932.4429 110.3374 -206448.6524 17801.7837 0.0000 0.0000 34414.4810 -149351.3128 300.5502 -183765.7938 -149258.3881 299.4456 -15.9257 16.0801 557997.5753 8.9356 8.9506 PRESSURE: 4805400 -145.855 22.242 66.3382 22.2418 -91.7034 29.3495 66.3394 29.3481 192.032 GPRESSURE: 4805400 -130.688 0.890646 72.1346 108.647 -36.876 -66.7192 102.745 95.4051 219.702 PRESSAVG: 4805400 29.2727 22.232 34.6504 22.232 -46.1199 2.87726 34.6504 2.87725 48.1931 GPRESSAVG: 4805400 28.9174 22.5733 35.1603 20.4683 -45.9178 3.97964 34.0601 2.6562 48.3814 TIMING: 4805400 CPU: 14428.4, 0.00296234/step Wall: 14428.4, 0.00296234/step, 0.160131 hours remaining, 209.277344 MB of memory in use. ENERGY: 4805400 742.1658 2083.6270 1938.8747 113.8837 -206155.6984 17943.5136 0.0000 0.0000 33851.3161 -149482.3174 295.6320 -183333.6336 -149391.0991 298.3349 -15.1755 17.3795 558990.1139 10.4487 10.4603 PRESSURE: 4805600 25.0448 -87.6392 54.0904 -87.6384 168.575 -116.89 54.0895 -116.892 65.7516 GPRESSURE: 4805600 39.8643 -80.8638 5.21976 -74.9249 214.228 -16.9219 7.31173 -97.373 96.3824 PRESSAVG: 4805600 4.49668 1.03243 28.9916 1.03244 -11.5967 0.420199 28.9917 0.420185 42.6772 GPRESSAVG: 4805600 5.80246 0.0453274 28.7372 3.41407 -12.1914 0.783346 28.8911 -0.167765 42.206 TIMING: 4805600 CPU: 14429, 0.00298582/step Wall: 14429, 0.00298582/step, 0.161234 hours remaining, 209.277344 MB of memory in use. ENERGY: 4805600 760.2949 2050.8530 1909.3247 125.3668 -206358.8491 17873.5904 0.0000 0.0000 34203.0051 -149436.4142 298.7034 -183639.4193 -149338.7008 298.0296 86.4571 116.8248 558114.6372 11.8591 11.9390 PRESSURE: 4805800 235.383 -91.0212 -225.298 -91.0214 302.613 -73.2158 -225.298 -73.2165 130.812 GPRESSURE: 4805800 298.14 -147.525 -210.094 -95.5649 321.153 -144.428 -100.975 -59.3853 144.285 PRESSAVG: 4805800 22.3829 7.25542 -18.1447 7.25547 -12.0431 -35.0029 -18.1447 -35.0029 -35.1507 GPRESSAVG: 4805800 22.914 6.57373 -17.5255 5.42163 -12.3299 -33.6758 -15.9139 -35.4904 -35.2121 TIMING: 4805800 CPU: 14429.6, 0.00299178/step Wall: 14429.6, 0.00299178/step, 0.16139 hours remaining, 209.402344 MB of memory in use. ENERGY: 4805800 737.4940 2084.0499 1919.9240 111.8439 -206763.2098 18171.8393 0.0000 0.0000 34224.6877 -149513.3710 298.8927 -183738.0587 -149419.9598 298.5580 222.9360 254.5257 557283.9561 -8.2703 -8.2093 PRESSURE: 4806000 158.212 143.006 7.80142 143.006 -251.376 8.52975 7.80266 8.52952 -112.209 GPRESSURE: 4806000 139.948 103.244 17.8617 139.132 -189.318 -39.6014 10.9656 56.0804 -48.6665 PRESSAVG: 4806000 -5.92384 -5.5642 -7.10747 -5.56423 -8.15206 -28.0553 -7.10748 -28.0553 -23.2147 GPRESSAVG: 4806000 -5.49073 -3.91898 -6.08443 -6.76391 -7.92531 -28.2374 -9.14259 -28.8822 -23.4729 TIMING: 4806000 CPU: 14430.2, 0.00297917/step Wall: 14430.2, 0.00297917/step, 0.160544 hours remaining, 209.402344 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: 4806000 757.2919 2064.0298 1949.4298 119.9575 -206169.7823 17707.4683 0.0000 0.0000 34052.4932 -149519.1118 297.3889 -183571.6050 -149429.6146 298.7577 -68.4573 -32.6788 557095.9949 -12.4302 -12.2963 PRESSURE: 4806200 89.4642 -9.12714 -152.105 -9.12593 126.016 -39.1539 -152.106 -39.1544 -7.5692 GPRESSURE: 4806200 132.737 -98.6832 -118.322 40.3158 114.935 31.0276 -108.178 -92.4049 54.8489 PRESSAVG: 4806200 -46.2333 7.5824 17.0542 7.58237 23.7832 13.536 17.0541 13.536 13.661 GPRESSAVG: 4806200 -46.9552 4.78118 17.9085 10.8482 23.6675 14.1843 17.2494 15.7743 14.6172 TIMING: 4806200 CPU: 14430.8, 0.00299857/step Wall: 14430.8, 0.00299857/step, 0.161423 hours remaining, 209.402344 MB of memory in use. ENERGY: 4806200 761.5758 2039.4881 1931.1974 113.3503 -206477.1205 17951.6983 0.0000 0.0000 34218.0192 -149461.7915 298.8345 -183679.8107 -149365.7758 298.6781 69.3035 100.8405 555855.8316 -2.9297 -2.8902 PRESSURE: 4806400 180.795 -73.0293 -44.0608 -73.0284 -71.0083 114.215 -44.0604 114.215 229.097 GPRESSURE: 4806400 209.74 -92.5869 24.9761 -20.2021 -41.6924 162.722 -27.5505 182.126 267.575 PRESSAVG: 4806400 -21.7167 2.60828 11.3832 2.60825 -32.715 50.7426 11.3832 50.7424 44.3933 GPRESSAVG: 4806400 -21.18 3.27389 10.8536 1.03208 -32.7782 49.3199 13.2794 50.0133 42.9119 TIMING: 4806400 CPU: 14431.4, 0.00298854/step Wall: 14431.4, 0.00298854/step, 0.160717 hours remaining, 209.402344 MB of memory in use. ENERGY: 4806400 680.7641 2050.1881 1967.5126 118.6530 -206115.2549 17704.2734 0.0000 0.0000 34135.7471 -149458.1166 298.1160 -183593.8637 -149364.2354 298.5013 112.9613 145.2075 556452.4141 -3.3461 -3.6821 PRESSURE: 4806600 101.261 30.0041 57.5101 30.0039 10.6167 -58.5425 57.5081 -58.5424 164.061 GPRESSURE: 4806600 128.382 56.0479 71.0878 4.91773 -3.0223 -29.7369 38.5912 -74.846 241.235 PRESSAVG: 4806600 42.0182 21.34 18.14 21.34 -16.1019 16.6568 18.14 16.6568 -2.83042 GPRESSAVG: 4806600 42.2083 22.0051 18.607 20.0148 -17.3158 16.3969 16.1919 18.0059 -1.62402 TIMING: 4806600 CPU: 14432, 0.00297507/step Wall: 14432, 0.00297507/step, 0.159827 hours remaining, 209.402344 MB of memory in use. ENERGY: 4806600 742.0854 2077.1964 1946.5671 123.0981 -206158.0252 17791.0681 0.0000 0.0000 34173.5900 -149304.4202 298.4465 -183478.0102 -149203.6070 298.5134 91.9798 122.1983 555481.4911 7.6953 7.7562 PRESSURE: 4806800 -118.357 117.407 32.1139 117.407 132.169 -43.5006 32.1131 -43.499 -49.6454 GPRESSURE: 4806800 -81.4013 121.412 40.6062 152.402 129.07 -52.1955 -6.44686 16.8539 21.0268 PRESSAVG: 4806800 26.4607 -7.12313 20.9788 -7.1231 20.8425 47.2125 20.9787 47.2124 -68.885 GPRESSAVG: 4806800 25.3172 -6.18347 17.6276 -6.36443 22.2615 48.0314 23.4057 47.4232 -69.574 TIMING: 4806800 CPU: 14432.6, 0.00299737/step Wall: 14432.6, 0.00299737/step, 0.160859 hours remaining, 209.402344 MB of memory in use. ENERGY: 4806800 718.8366 2014.7430 1932.6969 117.2510 -206045.2642 17669.1332 0.0000 0.0000 34214.0847 -149378.5187 298.8001 -183592.6034 -149275.7746 298.3983 -11.9445 22.8985 556160.0529 -7.1939 -7.3318 PRESSURE: 4807000 -170.142 115.37 21.4542 115.369 -65.3449 -29.8428 21.4546 -29.8428 -365.873 GPRESSURE: 4807000 -76.7813 74.2027 -29.0438 106.013 -118.232 -78.047 3.5612 -63.0243 -315.261 PRESSAVG: 4807000 -41.6605 38.114 25.8043 38.114 26.902 53.2347 25.8042 53.2348 17.7493 GPRESSAVG: 4807000 -41.987 38.406 26.9795 37.0464 26.6652 53.9704 25.5871 51.9974 18.1898 TIMING: 4807000 CPU: 14433.2, 0.00303145/step Wall: 14433.2, 0.00303145/step, 0.16252 hours remaining, 209.402344 MB of memory in use. ENERGY: 4807000 748.8344 2118.7837 1954.2580 110.4285 -205902.3463 17678.3313 0.0000 0.0000 34201.8054 -149089.9050 298.6929 -183291.7104 -148994.7488 298.7144 -200.4531 -170.0912 557602.4693 0.9969 0.9560 PRESSURE: 4807200 -65.9981 -3.34614 -77.5971 -3.3462 -275.035 -2.06807 -77.5967 -2.06749 -272.476 GPRESSURE: 4807200 -69.601 -0.976578 -33.5221 29.2271 -177.805 55.5735 -136.243 -141.591 -268.747 PRESSAVG: 4807200 -2.34365 15.3359 -18.9978 15.3359 -61.0375 -23.728 -18.9978 -23.728 0.281854 GPRESSAVG: 4807200 -1.90233 13.9796 -18.7044 17.08 -61.6534 -25.4597 -20.3161 -24.6321 -0.176541 TIMING: 4807200 CPU: 14433.8, 0.00297762/step Wall: 14433.8, 0.00297762/step, 0.159468 hours remaining, 209.402344 MB of memory in use. ENERGY: 4807200 716.9237 2071.3340 1951.5131 110.3916 -205628.9890 17434.9184 0.0000 0.0000 34171.5565 -149172.3516 298.4287 -183343.9082 -149074.9689 298.9914 -204.5030 -172.0511 559570.3494 -21.0331 -21.2441 PRESSURE: 4807400 -249.191 -190.433 23.5646 -190.432 -2.32394 -50.2776 23.5643 -50.2764 45.6771 GPRESSURE: 4807400 -211.184 -175.653 -80.3383 -143.004 40.7016 -40.0619 33.4862 -61.295 79.5022 PRESSAVG: 4807400 -10.9908 -25.9097 -1.57743 -25.9095 7.30105 -36.7825 -1.57754 -36.7825 15.4086 GPRESSAVG: 4807400 -10.3266 -24.1523 -1.72723 -25.942 7.19978 -35.5545 -1.38786 -34.9079 15.1406 TIMING: 4807400 CPU: 14434.4, 0.00303321/step Wall: 14434.4, 0.00303321/step, 0.162277 hours remaining, 209.402344 MB of memory in use. ENERGY: 4807400 738.7456 2129.0496 1920.8110 112.9459 -206208.1302 17796.2624 0.0000 0.0000 34354.6671 -149155.6486 300.0279 -183510.3157 -149058.4885 299.7039 -68.6128 -30.3267 557830.1254 3.9063 4.0046 PRESSURE: 4807600 70.1295 27.3117 2.74846 27.313 -101.34 -1.17265 2.74775 -1.17265 -54.9655 GPRESSURE: 4807600 75.7235 57.4791 -38.8549 109.608 -37.1334 33.8122 45.4895 -102.538 -34.0801 PRESSAVG: 4807600 -3.88711 9.38504 23.0781 9.385 89.5754 -3.59537 23.0782 -3.59542 -41.7027 GPRESSAVG: 4807600 -5.53556 9.94343 26.1511 6.64459 90.044 -3.48321 18.8835 -7.5008 -41.1181 TIMING: 4807600 CPU: 14435, 0.00300113/step Wall: 14435, 0.00300113/step, 0.160394 hours remaining, 209.402344 MB of memory in use. ENERGY: 4807600 796.1747 2061.5542 1959.4997 111.2459 -206116.5955 17839.5307 0.0000 0.0000 34349.6251 -148998.9652 299.9838 -183348.5903 -148906.4199 300.0958 -28.7252 1.5033 556682.7826 14.6619 14.4635 PRESSURE: 4807800 -142.631 -6.17737 11.2109 -6.17733 185.094 -91.0829 11.2113 -91.0846 -5.19604 GPRESSURE: 4807800 -96.1942 21.8495 -34.2275 17.7791 194.407 -49.4102 -35.6459 -155.843 27.8662 PRESSAVG: 4807800 76.8645 4.26652 22.2278 4.26647 -25.017 -14.2498 22.2279 -14.2497 -21.6813 GPRESSAVG: 4807800 78.0128 4.4943 19.9875 6.91436 -25.7356 -14.231 25.2254 -11.4912 -22.3118 TIMING: 4807800 CPU: 14435.6, 0.00297582/step Wall: 14435.6, 0.00297582/step, 0.158876 hours remaining, 209.402344 MB of memory in use. ENERGY: 4807800 776.3756 2085.7342 1951.8691 117.9824 -205930.1173 17730.9025 0.0000 0.0000 34186.5846 -149080.6688 298.5599 -183267.2535 -148984.1541 299.9359 12.4224 42.0262 556191.8091 10.0554 9.9885 PRESSURE: 4808000 -108.049 -64.0657 -194.861 -64.0652 63.7464 -27.0887 -194.861 -27.0904 -11.6916 GPRESSURE: 4808000 -72.2679 -47.4177 -138.006 9.89845 70.4764 -70.2819 -155.689 -40.8612 40.0576 PRESSAVG: 4808000 -3.65466 7.8939 2.6639 7.89375 31.2296 -3.17362 2.6638 -3.1737 -3.52898 GPRESSAVG: 4808000 -4.36636 6.91746 1.69377 8.36544 32.1661 -6.00642 4.15692 -2.78935 -3.49529 TIMING: 4808000 CPU: 14436.2, 0.00298812/step Wall: 14436.2, 0.00298812/step, 0.159366 hours remaining, 209.402344 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: 4808000 736.1297 2110.1127 1943.8651 105.0721 -206141.1975 17861.3370 0.0000 0.0000 34351.6939 -149032.9871 300.0019 -183384.6810 -148941.0812 299.2038 -18.6649 12.7554 557692.4867 8.0153 8.1015 PRESSURE: 4808200 -152.221 78.9146 -57.7635 78.9151 -73.2712 23.7246 -57.7627 23.723 -276.551 GPRESSURE: 4808200 -113.529 119.82 -19.8221 31.0093 -53.2138 21.248 -96.5156 10.3044 -236.66 PRESSAVG: 4808200 96.9291 -36.8331 -6.79635 -36.8331 -49.7604 -6.50856 -6.79637 -6.50862 -26.0019 GPRESSAVG: 4808200 95.8696 -36.8958 -5.61845 -38.3319 -50.5788 -4.11805 -9.47557 -6.38198 -24.3485 TIMING: 4808200 CPU: 14436.8, 0.00304594/step Wall: 14436.8, 0.00304594/step, 0.162281 hours remaining, 209.402344 MB of memory in use. ENERGY: 4808200 700.5073 2067.8489 1962.9814 123.1090 -205977.2280 17699.3629 0.0000 0.0000 34443.7549 -148979.6636 300.8059 -183423.4185 -148887.5486 300.2593 -167.3478 -134.4676 559783.9414 7.0556 6.9808 LDB: ============= START OF LOAD BALANCING ============== 14440.3 LDB: ============== END OF LOAD BALANCING =============== 14440.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14440.3 LDB: ============= START OF LOAD BALANCING ============== 14440.6 LDB: Largest compute 4773 load 0.027689 is 23.4% of average load 0.118245 LDB: Average compute 0.001730 is 1.5% of average load 0.118245 LDB: TIME 14440.6 LOAD: AVG 0.118245 MAX 0.211868 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.746 MB LDB: TIME 14440.6 LOAD: AVG 0.118245 MAX 0.211868 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.988 MB LDB: TIME 14440.6 LOAD: AVG 0.118245 MAX 0.211868 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.988 MB LDB: ============== END OF LOAD BALANCING =============== 14440.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14440.6 PRESSURE: 4808400 -126.932 15.9629 -58.0401 15.9629 -58.0125 -25.0496 -58.0393 -25.0492 -184.419 GPRESSURE: 4808400 -36.8786 0.394142 -56.1302 47.9788 1.69354 3.69051 -76.6981 -9.67275 -244.148 PRESSAVG: 4808400 -48.0195 23.5186 -11.1769 23.5186 54.181 6.60362 -11.1769 6.60365 -42.6617 GPRESSAVG: 4808400 -46.7264 23.3753 -12.867 23.4229 54.1118 4.84368 -9.79249 7.55037 -43.6311 TIMING: 4808400 CPU: 14437.4, 0.00304277/step Wall: 14437.4, 0.00304277/step, 0.161943 hours remaining, 208.359375 MB of memory in use. ENERGY: 4808400 765.5139 2025.0040 1936.6742 111.1248 -205882.9803 17704.2743 0.0000 0.0000 34465.3932 -148874.9960 300.9949 -183340.3892 -148776.6825 300.0832 -123.1211 -93.1111 557739.5577 -12.1667 -12.0819 PRESSURE: 4808600 -50.8842 99.2701 -129.043 99.2692 -33.6173 -173.949 -129.044 -173.948 8.29905 GPRESSURE: 4808600 -20.1845 136.82 -202.02 24.9646 15.9806 -257.38 -206.57 -230.096 32.6137 PRESSAVG: 4808600 27.0543 59.4631 -17.3695 59.4631 -18.6441 38.8206 -17.3696 38.8205 -24.0819 GPRESSAVG: 4808600 27.1377 59.0417 -16.6734 59.8844 -18.105 40.2435 -18.0373 37.4563 -24.6488 TIMING: 4808600 CPU: 14438, 0.00298208/step Wall: 14438, 0.00298208/step, 0.158547 hours remaining, 208.820312 MB of memory in use. ENERGY: 4808600 701.7844 2066.2914 1965.4902 101.1119 -205794.8581 17674.3556 0.0000 0.0000 34243.7072 -149042.1174 299.0588 -183285.8246 -148953.8586 299.5029 -25.4008 9.4699 557620.8555 -5.2239 -5.2054 PRESSURE: 4808800 43.8623 75.4711 -96.9183 75.47 -383.498 56.3616 -96.9176 56.3595 -159.188 GPRESSURE: 4808800 29.2181 46.7583 -97.8298 34.2916 -380.095 10.8637 -54.5065 45.0282 -34.5396 PRESSAVG: 4808800 22.1685 16.2507 -79.3081 16.2507 -12.7361 -6.99315 -79.3081 -6.99337 -16.0993 GPRESSAVG: 4808800 21.7345 16.7017 -76.3362 15.2006 -13.6887 -7.44276 -80.8722 -5.9267 -14.5359 TIMING: 4808800 CPU: 14438.6, 0.00300179/step Wall: 14438.6, 0.00300179/step, 0.159428 hours remaining, 208.820312 MB of memory in use. ENERGY: 4808800 752.3931 2096.2166 1935.0982 102.8587 -205760.4784 17643.6233 0.0000 0.0000 34304.5907 -148925.6978 299.5905 -183230.2885 -148830.2365 299.0895 -166.2746 -128.4722 557761.9343 -2.2223 -2.1634 PRESSURE: 4809000 -193.609 -93.1276 -183.302 -93.1265 -189.004 32.7418 -183.303 32.7415 -210.803 GPRESSURE: 4809000 -222.699 -132.829 -192.699 -117.376 -83.0909 -28.6867 -156.71 36.2455 -186.862 PRESSAVG: 4809000 -19.9074 -11.2844 -9.82965 -11.2844 14.0919 60.2037 -9.82951 60.2036 22.5995 GPRESSAVG: 4809000 -19.757 -10.8302 -12.0151 -10.4584 15.2624 61.4724 -7.08939 58.4317 21.8932 TIMING: 4809000 CPU: 14439.2, 0.00302785/step Wall: 14439.2, 0.00302785/step, 0.160645 hours remaining, 208.820312 MB of memory in use. ENERGY: 4809000 756.2033 2084.1689 1957.3050 126.0623 -205822.3833 17699.5242 0.0000 0.0000 34189.4149 -149009.7047 298.5847 -183199.1196 -148914.6768 299.8436 -197.8055 -164.2172 558933.9015 5.5947 5.7995 PRESSURE: 4809200 -320.84 92.7107 -100.341 92.7107 -85.8046 66.6029 -100.341 66.6038 -202.206 GPRESSURE: 4809200 -266.031 94.6011 15.6061 105.121 -73.5334 16.0541 -171.203 60.2916 -161.32 PRESSAVG: 4809200 -38.0274 -31.8045 -9.27431 -31.8045 -14.8698 6.35343 -9.27426 6.35354 63.4209 GPRESSAVG: 4809200 -38.5255 -32.8145 -7.05454 -31.7792 -13.757 4.41338 -11.2193 7.58819 62.7566 TIMING: 4809200 CPU: 14439.8, 0.00300047/step Wall: 14439.8, 0.00300047/step, 0.159025 hours remaining, 208.910156 MB of memory in use. ENERGY: 4809200 737.5954 2072.8193 1954.7681 121.0675 -205560.5679 17432.8326 0.0000 0.0000 34377.6827 -148863.8023 300.2289 -183241.4850 -148767.6195 300.3541 -202.9505 -166.9618 558838.9945 3.5079 3.4914 PRESSURE: 4809400 252.218 -130.531 119.604 -130.531 -8.71634 46.6613 119.605 46.6604 -45.4445 GPRESSURE: 4809400 285.623 -128.648 130.599 -135.821 -3.49785 73.8309 68.5549 -49.2755 17.4976 PRESSAVG: 4809400 23.3902 20.3619 25.2592 20.3618 -18.2871 -23.7088 25.2591 -23.7087 0.83897 GPRESSAVG: 4809400 23.4693 20.293 21.1242 22.8589 -19.9471 -22.4638 26.9505 -24.1472 1.61861 TIMING: 4809400 CPU: 14440.4, 0.0029888/step Wall: 14440.4, 0.0029888/step, 0.15824 hours remaining, 208.910156 MB of memory in use. ENERGY: 4809400 775.4836 2101.8190 1940.5989 121.3975 -206083.0302 17819.3366 0.0000 0.0000 34299.4610 -149024.9337 299.5457 -183324.3946 -148927.9880 299.6997 66.0190 99.8743 558116.2612 1.9807 1.7136 PRESSURE: 4809600 152.63 71.2255 -103.297 71.2254 71.1159 35.386 -103.297 35.3841 -191.669 GPRESSURE: 4809600 95.0758 -41.2423 -180.916 101.012 140.544 119.615 -61.9029 -0.975542 -112.666 PRESSAVG: 4809600 -5.91024 -19.0739 76.0952 -19.0739 17.4667 1.05422 76.0952 1.05414 -6.15277 GPRESSAVG: 4809600 -5.04219 -19.9661 79.2525 -20.0301 18.2811 1.30099 75.3735 1.19677 -7.72467 TIMING: 4809600 CPU: 14441, 0.00296445/step Wall: 14441, 0.00296445/step, 0.156786 hours remaining, 208.910156 MB of memory in use. ENERGY: 4809600 706.2028 2179.1236 1954.7881 115.9090 -206081.5738 17767.7290 0.0000 0.0000 34323.3678 -149034.4535 299.7545 -183357.8212 -148936.2551 299.8746 10.6924 40.9845 557658.8533 1.8012 1.8381 PRESSURE: 4809800 -372.309 7.5774 -68.9382 7.57912 226.819 56.7986 -68.9364 56.7982 -23.1597 GPRESSURE: 4809800 -345.609 -40.4323 -128.234 39.7476 251.551 1.1513 -27.5239 2.01448 27.8237 PRESSAVG: 4809800 -20.1665 19.2278 -9.99531 19.2279 35.1575 57.921 -9.9953 57.9211 -0.580183 GPRESSAVG: 4809800 -21.2335 18.2445 -10.774 19.6335 34.9193 57.845 -11.1838 57.828 0.746953 TIMING: 4809800 CPU: 14441.6, 0.00299642/step Wall: 14441.6, 0.00299642/step, 0.158311 hours remaining, 208.910156 MB of memory in use. ENERGY: 4809800 708.9084 2083.7766 1944.6340 125.7145 -206067.5392 17785.0314 0.0000 0.0000 34326.2121 -149093.2624 299.7793 -183419.4745 -148989.7150 299.4242 -56.2168 -22.0781 559616.5453 4.8036 4.8109 PRESSURE: 4810000 -147.424 23.2918 -74.9472 23.2903 178.137 250.943 -74.9487 250.944 86.3821 GPRESSURE: 4810000 -65.6488 -7.9945 -129.993 32.4507 202.983 226.497 -22.4702 304.128 80.7329 PRESSAVG: 4810000 -69.3523 4.61252 -17.1278 4.61259 28.6158 -1.84512 -17.1277 -1.84512 7.65601 GPRESSAVG: 4810000 -70.4235 7.13844 -16.9767 3.86695 30.3774 -1.51464 -16.6561 -2.24766 6.81448 TIMING: 4810000 CPU: 14442.2, 0.00303449/step Wall: 14442.2, 0.00303449/step, 0.160153 hours remaining, 208.910156 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: 4810000 745.4344 2082.6836 1950.5023 115.0058 -206388.9572 17938.9693 0.0000 0.0000 34272.4520 -149283.9098 299.3098 -183556.3618 -149186.3883 299.2046 39.0316 72.6889 558243.6552 -11.0268 -11.0772 PRESSURE: 4810200 43.325 185.884 -29.4813 185.883 208.87 -46.1212 -29.4798 -46.1215 80.0503 GPRESSURE: 4810200 62.0459 209.536 -53.0436 172.457 210.604 1.75761 -59.8189 -84.1393 158.872 PRESSAVG: 4810200 19.9345 20.6431 -13.8772 20.6429 37.6286 21.1979 -13.8772 21.1979 -44.7229 GPRESSAVG: 4810200 21.5108 19.7898 -13.8571 20.1865 36.3559 18.8431 -14.1134 24.2342 -44.9789 TIMING: 4810200 CPU: 14442.8, 0.00304065/step Wall: 14442.8, 0.00304065/step, 0.16031 hours remaining, 208.910156 MB of memory in use. ENERGY: 4810200 732.0943 2112.6305 1934.8181 119.6247 -206554.8266 17986.5047 0.0000 0.0000 34354.0104 -149315.1439 300.0221 -183669.1543 -149218.5134 298.9110 110.7484 143.8406 557847.7334 4.2801 4.2960 PRESSURE: 4810400 -201.516 -5.36039 34.729 -5.35937 -53.3636 52.7072 34.73 52.7074 -63.3098 GPRESSURE: 4810400 -120.189 10.3672 82.4122 -46.3966 -51.7786 46.5257 45.9258 23.7558 -42.7023 PRESSAVG: 4810400 29.5292 -16.7479 -16.6526 -16.748 -64.7416 -44.2709 -16.6526 -44.271 23.8379 GPRESSAVG: 4810400 29.907 -16.868 -17.0218 -16.7558 -65.6767 -42.1145 -16.5169 -47.0373 24.1241 TIMING: 4810400 CPU: 14443.4, 0.00303733/step Wall: 14443.4, 0.00303733/step, 0.159966 hours remaining, 208.910156 MB of memory in use. ENERGY: 4810400 731.0989 2139.4900 1911.2897 108.8225 -205655.1947 17521.7589 0.0000 0.0000 34072.8486 -149169.8861 297.5667 -183242.7347 -149067.5537 299.2141 -106.0630 -71.5565 558581.1487 -3.7915 -3.8818 PRESSURE: 4810600 288.781 -174.44 -3.95904 -174.44 223.757 55.5692 -3.95999 55.57 78.0458 GPRESSURE: 4810600 257.01 -184.248 22.3664 -232.724 256.874 59.1138 -26.7236 112.084 180.642 PRESSAVG: 4810600 16.6449 -1.07805 -35.1933 -1.07801 -62.1652 -77.8904 -35.1933 -77.8904 25.7891 GPRESSAVG: 4810600 16.6739 -2.2436 -35.9338 -1.93195 -61.9043 -79.1964 -33.5478 -78.0184 25.5339 TIMING: 4810600 CPU: 14444, 0.00304237/step Wall: 14444, 0.00304237/step, 0.160063 hours remaining, 208.910156 MB of memory in use. ENERGY: 4810600 719.2199 2084.0123 1922.5758 107.3377 -205918.9287 17858.5690 0.0000 0.0000 34264.0188 -148963.1954 299.2362 -183227.2141 -148881.0814 299.0411 196.8610 231.5089 556987.6597 -6.5770 -6.5655 PRESSURE: 4810800 -172.446 -97.3391 102.043 -97.3397 -16.4337 -170.28 102.043 -170.281 -87.4734 GPRESSURE: 4810800 -108.022 -15.1357 166.279 -168.477 3.2421 -181.226 66.7243 -188.441 -76.4635 PRESSAVG: 4810800 43.3412 -14.4839 44.4145 -14.484 -79.9595 -78.5725 44.4146 -78.5725 1.18272 GPRESSAVG: 4810800 42.5108 -13.7283 46.249 -15.1679 -80.8588 -78.2577 41.2384 -77.8935 2.36011 TIMING: 4810800 CPU: 14444.6, 0.0029844/step Wall: 14444.6, 0.0029844/step, 0.156847 hours remaining, 208.910156 MB of memory in use. ENERGY: 4810800 753.3744 2105.8383 1919.4227 111.8238 -205787.9215 17695.3679 0.0000 0.0000 34365.1041 -148836.9903 300.1190 -183202.0944 -148744.6094 300.0673 -92.1177 -60.4146 557902.9681 -11.8119 -11.9959 PRESSURE: 4811000 -153.041 -108.405 61.3398 -108.405 -75.3814 74.0916 61.3387 74.0945 -195.2 GPRESSURE: 4811000 -142.472 -117.794 6.09587 -170.434 -97.7598 78.5377 71.3389 116.981 -98.7588 PRESSAVG: 4811000 9.41599 -23.6528 -4.18351 -23.6528 -3.1115 -46.4157 -4.18365 -46.4156 -11.6405 GPRESSAVG: 4811000 9.58557 -24.6176 -6.93707 -22.835 -1.94363 -46.5742 -2.11802 -46.6315 -13.023 TIMING: 4811000 CPU: 14445.2, 0.00300147/step Wall: 14445.2, 0.00300147/step, 0.157577 hours remaining, 209.015625 MB of memory in use. ENERGY: 4811000 713.3577 2099.8167 1949.6265 102.9879 -205397.4835 17278.1793 0.0000 0.0000 34338.6542 -148914.8612 299.8880 -183253.5154 -148811.6109 300.5446 -141.2076 -112.9968 557326.7948 -1.7787 -1.7937 PRESSURE: 4811200 189.19 -6.08884 49.1681 -6.08921 256.87 -68.0443 49.169 -68.0426 -100.682 GPRESSURE: 4811200 264.938 -69.3587 74.9614 17.0938 247.44 -24.0752 -37.1861 -130.64 -66.1537 PRESSAVG: 4811200 56.635 41.644 -37.2197 41.6441 6.89699 -29.7311 -37.2197 -29.731 -45.4064 GPRESSAVG: 4811200 56.8223 41.092 -36.7954 42.4046 6.16405 -29.9526 -38.529 -28.1776 -44.2557 TIMING: 4811200 CPU: 14445.8, 0.00298655/step Wall: 14445.8, 0.00298655/step, 0.156628 hours remaining, 209.015625 MB of memory in use. ENERGY: 4811200 788.9262 2102.1391 1901.4063 109.1977 -206064.4174 17947.0683 0.0000 0.0000 34341.1234 -148874.5564 299.9096 -183215.6798 -148778.3157 300.8385 115.1261 148.7415 556021.9250 6.0418 6.2435 PRESSURE: 4811400 -75.8308 -221.97 -18.7448 -221.969 -175.18 158.605 -18.7451 158.606 -188.086 GPRESSURE: 4811400 -49.9493 -177.22 -6.29736 -248.837 -130.09 220.996 -2.04467 110.692 -157.372 PRESSAVG: 4811400 42.119 22.3177 -47.9602 22.3177 19.0417 -55.8048 -47.9603 -55.8048 -56.7128 GPRESSAVG: 4811400 42.2569 24.749 -46.0844 21.1098 19.1437 -54.6863 -48.0731 -58.2693 -56.816 TIMING: 4811400 CPU: 14446.4, 0.00299385/step Wall: 14446.4, 0.00299385/step, 0.156844 hours remaining, 209.015625 MB of memory in use. ENERGY: 4811400 758.1990 2091.5647 1912.2954 112.4470 -205801.4774 17542.5157 0.0000 0.0000 34427.0296 -148957.4261 300.6598 -183384.4557 -148860.4964 300.2525 -146.3656 -112.4705 558768.2811 1.4826 1.5282 PRESSURE: 4811600 171.258 18.9444 -4.04403 18.9442 207.989 -67.4795 -4.0448 -67.4781 131.192 GPRESSURE: 4811600 227.382 86.874 -12.1188 98.607 255.351 -120.444 20.4985 -68.5438 126.552 PRESSAVG: 4811600 29.7957 -17.9932 -44.8518 -17.9931 -28.1907 -35.6209 -44.8518 -35.621 -40.9106 GPRESSAVG: 4811600 29.6265 -17.3647 -46.0351 -17.6653 -27.7771 -37.1839 -44.8625 -33.2157 -41.9556 TIMING: 4811600 CPU: 14447, 0.00299593/step Wall: 14447, 0.00299593/step, 0.156787 hours remaining, 209.015625 MB of memory in use. ENERGY: 4811600 742.9512 2102.7280 1935.0009 111.8832 -205942.0917 17913.9688 0.0000 0.0000 34249.5806 -148885.9790 299.1101 -183135.5596 -148786.8706 299.7919 170.1462 203.0949 557462.1677 -13.1018 -13.3688 PRESSURE: 4811800 113.194 -155.458 33.1338 -155.459 146.579 -63.4339 33.1326 -63.4343 105.152 GPRESSURE: 4811800 169.631 -40.2593 26.0565 -100.636 206.735 18.804 30.7306 -73.4095 101.272 PRESSAVG: 4811800 38.181 23.7809 -4.29972 23.7809 -39.5803 -33.9924 -4.29967 -33.9924 33.0245 GPRESSAVG: 4811800 35.8126 22.8761 -4.11812 24.9323 -39.1523 -32.972 -3.00867 -32.3793 34.8393 TIMING: 4811800 CPU: 14447.6, 0.00298568/step Wall: 14447.6, 0.00298568/step, 0.156085 hours remaining, 209.015625 MB of memory in use. ENERGY: 4811800 710.5702 2059.7208 1926.9339 110.0298 -206408.2414 18101.8452 0.0000 0.0000 34565.9990 -148933.1426 301.8735 -183499.1416 -148829.8133 299.4818 121.6417 159.2125 558004.1339 10.5417 10.4999 PRESSURE: 4812000 206.193 114.414 -31.5985 114.414 62.1785 134.674 -31.5987 134.672 -22.6783 GPRESSURE: 4812000 190.298 99.0805 -46.9139 110.147 127.665 233.855 -40.6717 108.084 13.0801 PRESSAVG: 4812000 20.579 -14.7076 44.9852 -14.7075 0.172765 -29.7042 44.9851 -29.7042 -26.9294 GPRESSAVG: 4812000 21.7423 -15.3083 47.199 -15.37 -0.238046 -29.9729 44.357 -30.7756 -28.0408 TIMING: 4812000 CPU: 14448.2, 0.00300109/step Wall: 14448.2, 0.00300109/step, 0.156723 hours remaining, 209.015625 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: 4812000 748.2919 2088.2430 1971.7433 115.6447 -206369.2105 18001.0162 0.0000 0.0000 34436.1616 -149008.1099 300.7396 -183444.2715 -148911.2726 299.8786 81.8978 110.3477 558587.5366 -2.0592 -2.1788 PRESSURE: 4812200 -115.66 -55.4847 241.098 -55.4841 -59.7083 213.66 241.098 213.66 -116.104 GPRESSURE: 4812200 -56.2398 -73.8592 264.954 27.1334 17.194 235.379 177.012 211.866 -163.258 PRESSAVG: 4812200 39.3643 6.53899 45.8541 6.53909 16.5442 38.0256 45.8541 38.0257 -55.8927 GPRESSAVG: 4812200 40.2013 6.36168 44.4694 7.73339 16.6032 38.0489 44.532 36.977 -57.0314 TIMING: 4812200 CPU: 14448.8, 0.00299276/step Wall: 14448.8, 0.00299276/step, 0.156122 hours remaining, 209.015625 MB of memory in use. ENERGY: 4812200 756.5456 2093.2338 1927.0542 119.6438 -205627.7450 17620.1568 0.0000 0.0000 34178.7215 -148932.3894 298.4913 -183111.1109 -148830.2752 299.6131 -97.1576 -67.4345 559257.6495 0.0053 -0.0756 LDB: ============= START OF LOAD BALANCING ============== 14452.3 LDB: ============== END OF LOAD BALANCING =============== 14452.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14452.3 LDB: ============= START OF LOAD BALANCING ============== 14452.6 LDB: Largest compute 4773 load 0.027751 is 23.5% of average load 0.118313 LDB: Average compute 0.001738 is 1.5% of average load 0.118313 LDB: TIME 14452.6 LOAD: AVG 0.118313 MAX 0.212029 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.84 MB LDB: TIME 14452.6 LOAD: AVG 0.118313 MAX 0.212029 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.84 MB LDB: TIME 14452.6 LOAD: AVG 0.118313 MAX 0.212029 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.84 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14452.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14452.6 PRESSURE: 4812400 119.87 108.9 -53.8261 108.899 -114.623 -15.3516 -53.8265 -15.3506 46.3054 GPRESSURE: 4812400 157.159 73.2121 -12.7689 93.0772 -105.994 55.3282 -81.2492 -124.622 94.467 PRESSAVG: 4812400 37.2775 6.51275 61.8812 6.51276 -47.1396 35.707 61.8813 35.707 -21.7007 GPRESSAVG: 4812400 36.6522 5.39775 62.7071 6.86381 -46.3393 35.9322 61.2183 35.7223 -21.4122 TIMING: 4812400 CPU: 14449.4, 0.00303127/step Wall: 14449.4, 0.00303127/step, 0.157963 hours remaining, 210.515625 MB of memory in use. ENERGY: 4812400 698.9364 2116.7022 1949.5162 115.0882 -205889.5570 17712.6550 0.0000 0.0000 34385.3898 -148911.2693 300.2962 -183296.6591 -148811.7585 299.9073 17.1841 48.5440 558477.3705 -10.5209 -10.3664 PRESSURE: 4812600 -295.317 15.4713 28.0654 15.4719 -461.418 156.317 28.0653 156.317 28.9423 GPRESSURE: 4812600 -290.259 82.1802 9.48827 -42.7992 -419.349 133.274 4.72333 161.102 78.898 PRESSAVG: 4812600 60.9427 -53.5563 5.03118 -53.5563 -45.8667 20.8307 5.03117 20.8306 -21.0276 GPRESSAVG: 4812600 61.5325 -52.4452 3.53975 -54.4795 -47.7978 22.4564 5.7252 20.5363 -20.6872 TIMING: 4812600 CPU: 14450, 0.00298194/step Wall: 14450, 0.00298194/step, 0.155227 hours remaining, 211.105469 MB of memory in use. ENERGY: 4812600 770.3471 2044.1000 1938.0423 123.7802 -205840.7965 17753.5225 0.0000 0.0000 34287.1347 -148923.8697 299.4381 -183211.0044 -148824.0461 300.5750 -242.5973 -210.2366 559909.8747 -1.9839 -2.3175 PRESSURE: 4812800 -305.755 120.707 69.1134 120.707 -192.055 -77.3118 69.1129 -77.3123 -314.804 GPRESSURE: 4812800 -297.661 135.395 52.3296 134.011 -151.358 -84.83 100.508 -61.4025 -268.922 PRESSAVG: 4812800 10.7078 23.0542 54.67 23.0542 -11.6173 -35.0093 54.6701 -35.0091 -23.518 GPRESSAVG: 4812800 9.52083 22.2776 54.7881 22.7361 -10.5132 -38.6567 55.803 -33.9147 -23.4352 TIMING: 4812800 CPU: 14450.6, 0.00297304/step Wall: 14450.6, 0.00297304/step, 0.154598 hours remaining, 211.105469 MB of memory in use. ENERGY: 4812800 724.6015 2018.6326 1945.4112 123.1419 -205521.8811 17443.6252 0.0000 0.0000 34391.3643 -148875.1045 300.3483 -183266.4687 -148771.0446 300.1191 -270.8715 -239.3135 560275.7178 -8.1425 -8.1425 PRESSURE: 4813000 16.4377 -20.6956 96.6969 -20.6956 288.847 -39.6893 96.6965 -39.6899 312.86 GPRESSURE: 4813000 94.0956 33.358 88.5888 -23.645 352.904 2.33533 55.6814 -2.16332 273.332 PRESSAVG: 4813000 19.0071 -41.4421 -32.3666 -41.4421 19.2474 -65.3331 -32.3666 -65.3331 -63.9072 GPRESSAVG: 4813000 19.1345 -39.1856 -32.8619 -40.8615 18.718 -63.1667 -31.9652 -66.0342 -63.5771 TIMING: 4813000 CPU: 14451.2, 0.0029831/step Wall: 14451.2, 0.0029831/step, 0.154955 hours remaining, 211.105469 MB of memory in use. ENERGY: 4813000 729.2931 2089.1511 1927.9321 109.9293 -206373.8236 18178.3383 0.0000 0.0000 34345.3618 -148993.8179 299.9466 -183339.1798 -148900.5619 300.2819 206.0481 240.1105 558651.5328 -8.5509 -8.5749 PRESSURE: 4813200 -132.682 -43.4657 -21.7326 -43.4662 -57.1303 -61.1036 -21.732 -61.1039 -476.786 GPRESSURE: 4813200 -125.011 -33.4021 -13.259 -50.7071 -30.4025 -53.0738 -23.772 -73.9479 -422.487 PRESSAVG: 4813200 9.09799 2.58109 -18.0572 2.58108 27.325 -48.9393 -18.0572 -48.9392 -32.2549 GPRESSAVG: 4813200 9.50466 1.81377 -18.4659 2.12298 26.9588 -48.3273 -17.1148 -50.0144 -32.9438 TIMING: 4813200 CPU: 14451.8, 0.00298268/step Wall: 14451.8, 0.00298268/step, 0.154768 hours remaining, 211.105469 MB of memory in use. ENERGY: 4813200 795.3022 2035.2537 1949.5635 126.1987 -205575.3915 17530.9558 0.0000 0.0000 34083.8623 -149054.2553 297.6628 -183138.1176 -148953.9976 299.1919 -222.1994 -192.6335 559226.0219 1.3893 1.1732 PRESSURE: 4813400 -109.161 -155.435 11.3953 -155.436 97.3952 75.8728 11.3961 75.872 -336.374 GPRESSURE: 4813400 -50.8035 -186.647 89.6084 -148.873 83.7254 23.1891 -4.7657 51.3265 -285.694 PRESSAVG: 4813400 89.1589 5.91521 -5.32929 5.91526 -4.04017 -3.33174 -5.32922 -3.33189 -48.4429 GPRESSAVG: 4813400 89.0264 3.64581 -4.75807 7.69552 -4.15377 -4.75555 -6.24139 -3.63189 -47.777 TIMING: 4813400 CPU: 14452.4, 0.00298811/step Wall: 14452.4, 0.00298811/step, 0.154884 hours remaining, 211.105469 MB of memory in use. ENERGY: 4813400 782.8562 1990.4991 1927.7034 109.0620 -205744.8881 17725.3482 0.0000 0.0000 34370.4968 -148838.9224 300.1661 -183209.4192 -148740.6873 300.0175 -116.0467 -84.2575 559016.9803 12.2253 12.3652 PRESSURE: 4813600 -252.021 28.089 -118.227 28.0896 0.199448 -144.015 -118.226 -144.016 -249.353 GPRESSURE: 4813600 -253.625 23.5178 -25.9743 9.8701 47.5631 -129.874 -80.3855 -187.148 -209.889 PRESSAVG: 4813600 -46.0263 18.5777 -28.3974 18.5776 31.4573 -31.3514 -28.3975 -31.3515 -15.5562 GPRESSAVG: 4813600 -44.929 18.178 -27.1312 16.4933 30.9709 -30.749 -31.0483 -32.1876 -16.8895 TIMING: 4813600 CPU: 14453, 0.00299081/step Wall: 14453, 0.00299081/step, 0.154857 hours remaining, 211.105469 MB of memory in use. ENERGY: 4813600 752.2906 2060.9994 1938.8680 102.2185 -205452.4891 17454.9949 0.0000 0.0000 34295.3270 -148847.7906 299.5096 -183143.1176 -148751.2976 300.0553 -167.0582 -138.6501 558006.1183 -10.0417 -10.2825 PRESSURE: 4813800 -295.243 91.6954 -34.1522 91.6952 71.6001 41.8586 -34.1526 41.8599 -259.206 GPRESSURE: 4813800 -206.737 140.611 -52.9309 21.5764 68.734 67.1783 -61.6352 95.008 -251.087 PRESSAVG: 4813800 14.8551 -66.1326 -32.6684 -66.1326 12.8123 -10.8664 -32.6684 -10.8665 -16.0223 GPRESSAVG: 4813800 14.1176 -65.9079 -32.4511 -65.4111 12.872 -9.245 -32.4709 -12.0262 -14.9578 TIMING: 4813800 CPU: 14453.6, 0.00298233/step Wall: 14453.6, 0.00298233/step, 0.154253 hours remaining, 211.105469 MB of memory in use. ENERGY: 4813800 794.4940 2062.8527 1963.1727 112.8942 -205331.8616 17436.9321 0.0000 0.0000 34198.0926 -148763.4232 298.6604 -182961.5159 -148666.5298 299.6256 -160.9497 -129.6963 558964.6976 3.8817 4.0106 PRESSURE: 4814000 128.528 -262.56 25.9424 -262.562 27.7714 178.682 25.9431 178.682 -79.9781 GPRESSURE: 4814000 118.791 -236.102 13.9802 -255.31 92.6115 119.252 4.39156 151.105 -31.1036 PRESSAVG: 4814000 76.6228 5.15729 -36.5083 5.15732 4.29334 -54.3992 -36.5082 -54.3991 -66.5381 GPRESSAVG: 4814000 76.3119 5.38323 -37.6453 4.30864 4.91329 -56.7194 -33.8935 -51.0172 -66.3217 TIMING: 4814000 CPU: 14454.2, 0.00296342/step Wall: 14454.2, 0.00296342/step, 0.15311 hours remaining, 211.105469 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: 4814000 768.2571 2141.6279 1955.9086 121.6559 -206070.1316 17946.9975 0.0000 0.0000 34470.2657 -148665.4190 301.0374 -183135.6847 -148563.6262 300.1648 25.4404 60.0997 559271.5654 4.7927 4.9678 PRESSURE: 4814200 -113.887 14.731 3.25349 14.7311 -56.6497 -173.033 3.25365 -173.035 -146.867 GPRESSURE: 4814200 -173.575 -11.2159 -78.0166 65.1234 4.51489 -148.792 69.5551 -71.4404 -55.1558 PRESSAVG: 4814200 -21.243 -6.78741 -30.4935 -6.7874 38.0612 -1.76599 -30.4935 -1.76597 -15.7019 GPRESSAVG: 4814200 -20.0385 -4.67091 -29.8709 -7.55191 37.3972 -0.0426851 -33.471 -3.06269 -16.0708 TIMING: 4814200 CPU: 14454.8, 0.00300635/step Wall: 14454.8, 0.00300635/step, 0.155161 hours remaining, 211.105469 MB of memory in use. ENERGY: 4814200 801.3266 2092.6697 1955.1414 113.9612 -205870.8776 17851.0287 0.0000 0.0000 34532.5627 -148524.1874 301.5815 -183056.7500 -148426.5818 301.6331 -105.8013 -74.7385 558305.4113 0.3721 0.4293 PRESSURE: 4814400 6.84716 -25.1036 -29.431 -25.1023 -191.849 -51.3567 -29.4311 -51.3584 31.5751 GPRESSURE: 4814400 60.9472 -7.69272 -93.4154 7.91666 -189.864 -12.8635 59.0282 -58.3393 78.0383 PRESSAVG: 4814400 30.9039 1.48082 26.0366 1.4809 5.04114 -12.492 26.0365 -12.492 -14.9881 GPRESSAVG: 4814400 29.8004 -3.06689 23.0803 4.69672 5.21248 -16.0485 28.9962 -11.0361 -13.7939 TIMING: 4814400 CPU: 14455.4, 0.00300386/step Wall: 14455.4, 0.00300386/step, 0.154866 hours remaining, 211.105469 MB of memory in use. ENERGY: 4814400 724.4818 2073.5501 1946.8248 118.1508 -205523.5662 17653.3394 0.0000 0.0000 34467.6145 -148539.6048 301.0143 -183007.2193 -148436.0091 300.9330 -51.1422 -16.9593 558563.0565 6.9856 7.0730 PRESSURE: 4814600 81.7025 83.2479 -22.4532 83.249 94.1747 -87.1924 -22.4533 -87.1929 76.824 GPRESSURE: 4814600 131.461 105.382 -4.50469 27.639 156.442 -148.442 -34.1557 -59.3352 60.1846 PRESSAVG: 4814600 34.331 -54.4167 -37.4903 -54.4167 30.8569 38.1459 -37.4904 38.1458 -43.3618 GPRESSAVG: 4814600 34.2144 -52.8181 -33.5388 -55.7776 31.4632 41.8631 -39.7437 34.2272 -43.6413 TIMING: 4814600 CPU: 14456, 0.00301775/step Wall: 14456, 0.00301775/step, 0.155414 hours remaining, 211.105469 MB of memory in use. ENERGY: 4814600 752.2347 2081.4233 1954.9550 108.5895 -205915.8059 17929.2007 0.0000 0.0000 34356.9872 -148732.4154 300.0481 -183089.4026 -148631.6479 300.5642 84.2337 116.0292 557602.2435 7.2754 7.3454 PRESSURE: 4814800 -33.6986 -26.8941 72.2092 -26.8946 156.247 -148.745 72.2093 -148.744 -224.157 GPRESSURE: 4814800 23.1133 21.5139 67.6374 -96.2839 183.133 -150.442 109.88 -100.952 -210.287 PRESSAVG: 4814800 -4.21713 -29.7841 -28.1403 -29.7841 71.5999 27.6382 -28.1403 27.6382 -62.5689 GPRESSAVG: 4814800 -3.59782 -29.8256 -29.5053 -30.4698 71.0557 25.529 -25.8417 32.1158 -62.1388 TIMING: 4814800 CPU: 14456.6, 0.00297809/step Wall: 14456.6, 0.00297809/step, 0.153206 hours remaining, 211.105469 MB of memory in use. ENERGY: 4814800 749.1447 2018.0072 1953.8840 109.0705 -205840.5960 17730.3482 0.0000 0.0000 34550.5491 -148729.5924 301.7385 -183280.1415 -148628.7583 300.5361 -33.8693 -1.3469 558170.9402 1.6046 1.7730 PRESSURE: 4815000 -207.285 -44.2626 -46.0507 -44.2623 111.655 -27.3688 -46.051 -27.3687 -65.0543 GPRESSURE: 4815000 -176.965 -84.6405 26.7965 -20.9309 154.655 -117.696 -43.8079 -12.3651 -38.9253 PRESSAVG: 4815000 -23.8828 -44.9083 68.6883 -44.9084 9.03425 -34.984 68.6884 -34.9839 -33.2435 GPRESSAVG: 4815000 -23.2173 -43.0533 69.6451 -44.6649 9.33858 -34.4882 67.9105 -37.0974 -34.0436 TIMING: 4815000 CPU: 14457.2, 0.00300135/step Wall: 14457.2, 0.00300135/step, 0.154236 hours remaining, 211.105469 MB of memory in use. ENERGY: 4815000 784.9204 2076.6621 1933.3583 113.8611 -205661.5591 17830.5878 0.0000 0.0000 34259.9167 -148662.2527 299.2004 -182922.1694 -148570.2196 300.0045 -53.5616 -20.4118 559652.7334 -16.0307 -15.9741 PRESSURE: 4815200 -231.669 171.662 -1.45446 171.662 -304.696 -4.40112 -1.45398 -4.40037 -194.883 GPRESSURE: 4815200 -220.808 109.986 -45.4993 197.344 -254.233 29.0481 4.7144 22.2181 -164.086 PRESSAVG: 4815200 -28.7957 79.2425 -4.45774 79.2423 -32.923 -9.22218 -4.4578 -9.22219 55.9986 GPRESSAVG: 4815200 -30.1353 76.7461 -5.95165 79.8774 -31.9296 -6.09212 -6.06907 -10.1778 56.3717 TIMING: 4815200 CPU: 14457.8, 0.002992/step Wall: 14457.8, 0.002992/step, 0.15359 hours remaining, 211.105469 MB of memory in use. ENERGY: 4815200 734.8882 2136.0550 1923.8548 101.9081 -205342.0229 17395.3616 0.0000 0.0000 34568.4843 -148481.4709 301.8952 -183049.9552 -148382.3902 300.9522 -243.7496 -213.0424 559363.5055 -1.9067 -1.8977 PRESSURE: 4815400 -129.814 58.3959 -73.2953 58.3951 39.2512 42.6546 -73.2945 42.6535 -139.932 GPRESSURE: 4815400 -134.841 90.9832 -95.2011 110.701 107.052 102.904 -89.276 79.2557 -100.405 PRESSAVG: 4815400 -1.97074 -20.3982 4.18848 -20.3982 -40.5149 53.0023 4.18849 53.0023 79.0019 GPRESSAVG: 4815400 -1.62955 -17.8099 3.92844 -21.9316 -40.8147 50.5984 4.44512 52.4722 79.2433 TIMING: 4815400 CPU: 14458.4, 0.00294872/step Wall: 14458.4, 0.00294872/step, 0.151204 hours remaining, 211.105469 MB of memory in use. ENERGY: 4815400 762.9144 2114.0682 1943.7128 125.6676 -205872.3888 17683.4160 0.0000 0.0000 34667.0336 -148575.5762 302.7558 -183242.6098 -148484.3557 301.5792 -76.8315 -42.7312 558888.1529 12.1721 12.2664 PRESSURE: 4815600 39.0613 13.0118 17.3511 13.0135 48.58 -73.567 17.3514 -73.566 -286.251 GPRESSURE: 4815600 94.4435 37.0754 10.7414 -0.277182 81.7929 -64.0258 -35.9238 -28.2313 -276.086 PRESSAVG: 4815600 48.3308 37.1974 7.51668 37.1974 -91.3852 12.3865 7.51666 12.3865 3.96187 GPRESSAVG: 4815600 47.6856 34.5057 8.41321 41.2188 -91.2762 13.9997 5.90855 12.8735 4.54044 TIMING: 4815600 CPU: 14459, 0.00297884/step Wall: 14459, 0.00297884/step, 0.152583 hours remaining, 211.105469 MB of memory in use. ENERGY: 4815600 746.2118 2106.7510 1925.7714 105.8831 -205517.5176 17613.6793 0.0000 0.0000 34395.6777 -148623.5434 300.3860 -183019.2211 -148525.3871 301.5871 -66.2031 -33.2831 560147.4662 -13.0308 -13.0167 PRESSURE: 4815800 -1.41259 -103.717 -114.571 -103.717 -292.014 108.269 -114.571 108.271 -161.893 GPRESSURE: 4815800 -15.8258 -72.4064 -58.5627 -134.883 -268.826 51.5062 -207.905 138.553 -79.7158 PRESSAVG: 4815800 47.4527 16.6202 28.0749 16.6202 -29.2006 28.4143 28.0749 28.4143 -35.5498 GPRESSAVG: 4815800 47.2572 19.5986 28.8191 13.9257 -29.7091 26.2064 28.4412 30.7796 -35.293 TIMING: 4815800 CPU: 14459.6, 0.00298578/step Wall: 14459.6, 0.00298578/step, 0.152772 hours remaining, 211.105469 MB of memory in use. ENERGY: 4815800 754.3077 2171.1139 1937.1088 106.3954 -205595.0395 17594.6901 0.0000 0.0000 34293.7009 -148737.7228 299.4954 -183031.4236 -148647.3884 300.3485 -151.7730 -121.4559 560731.8806 -5.7659 -5.9150 PRESSURE: 4816000 -87.7619 22.9644 -88.9339 22.9637 80.4181 -44.3452 -88.9321 -44.3457 -38.6864 GPRESSURE: 4816000 -35.9167 80.1046 -88.3606 -12.3169 51.8756 -28.3931 -147.532 -88.3603 27.3738 PRESSAVG: 4816000 17.4919 -19.9413 -16.9265 -19.9413 16.6533 -1.91948 -16.9265 -1.91943 -42.7012 GPRESSAVG: 4816000 19.2006 -20.6224 -20.3128 -20.3032 16.9411 -1.9663 -15.571 -1.85548 -44.4863 TIMING: 4816000 CPU: 14460.2, 0.00299899/step Wall: 14460.2, 0.00299899/step, 0.153282 hours remaining, 211.105469 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: 4816000 766.6114 2081.2315 1955.1011 114.0582 -205690.2457 17829.8470 0.0000 0.0000 34315.6570 -148627.7395 299.6872 -182943.3965 -148530.8983 300.6306 -15.3434 14.4442 557729.4923 -2.8520 -2.7815 PRESSURE: 4816200 316.003 -39.4376 14.331 -39.4379 221.8 9.42069 14.3313 9.41974 -83.0119 GPRESSURE: 4816200 302.507 -1.71167 -118.164 -40.2543 225.39 35.2302 92.6628 62.476 13.5269 PRESSAVG: 4816200 -52.9384 16.1457 -51.1942 16.1457 16.2539 40.5864 -51.1942 40.5865 42.4834 GPRESSAVG: 4816200 -53.0787 16.0887 -48.8054 16.1639 15.0045 41.8045 -50.5371 40.9334 43.8437 TIMING: 4816200 CPU: 14460.8, 0.0030218/step Wall: 14460.8, 0.0030218/step, 0.15428 hours remaining, 211.105469 MB of memory in use. ENERGY: 4816200 719.4328 2127.0529 1944.7485 114.7134 -206049.5091 17920.9683 0.0000 0.0000 34437.6640 -148784.9292 300.7527 -183222.5932 -148679.9778 300.3738 151.5969 180.4745 558175.1028 1.9330 1.9232 LDB: ============= START OF LOAD BALANCING ============== 14464.3 LDB: ============== END OF LOAD BALANCING =============== 14464.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14464.3 LDB: ============= START OF LOAD BALANCING ============== 14464.6 LDB: Largest compute 4773 load 0.027697 is 23.4% of average load 0.118282 LDB: Average compute 0.001728 is 1.5% of average load 0.118282 LDB: TIME 14464.6 LOAD: AVG 0.118282 MAX 0.212876 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.465 MB LDB: TIME 14464.6 LOAD: AVG 0.118282 MAX 0.212876 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.668 MB LDB: TIME 14464.6 LOAD: AVG 0.118282 MAX 0.212876 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.668 MB LDB: ============== END OF LOAD BALANCING =============== 14464.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14464.6 PRESSURE: 4816400 -92.9219 -37.1695 -74.3302 -37.1702 -16.0648 -112.608 -74.3302 -112.606 160.499 GPRESSURE: 4816400 -67.161 -112.457 20.5041 -17.9515 16.8712 -127.378 -107.048 -145.828 210.02 PRESSAVG: 4816400 -16.9903 9.42688 -73.6181 9.42693 22.0559 23.5285 -73.618 23.5285 -4.92127 GPRESSAVG: 4816400 -17.7038 10.5665 -71.9991 9.62481 22.7667 23.7378 -74.5458 21.8407 -5.63486 TIMING: 4816400 CPU: 14461.4, 0.00307112/step Wall: 14461.4, 0.00307112/step, 0.156627 hours remaining, 210.574219 MB of memory in use. ENERGY: 4816400 725.9841 2078.9068 1962.7298 108.5530 -205982.1998 17882.2873 0.0000 0.0000 34463.6434 -148760.0954 300.9796 -183223.7388 -148662.1042 300.3734 17.1709 53.2433 558677.8345 0.0481 -0.1906 PRESSURE: 4816600 131.073 61.99 -125.498 61.99 -57.0915 -222.452 -125.498 -222.453 60.9745 GPRESSURE: 4816600 162.483 25.0541 -131.122 11.907 -36.9569 -220.59 -122.43 -204.058 111.573 PRESSAVG: 4816600 10.5787 3.61878 -23.9116 3.61877 21.4645 -44.2567 -23.9117 -44.2567 -62.8142 GPRESSAVG: 4816600 10.6536 4.50394 -27.3711 5.50528 20.2197 -45.934 -22.8406 -41.7408 -61.8747 TIMING: 4816600 CPU: 14462, 0.00302567/step Wall: 14462, 0.00302567/step, 0.154141 hours remaining, 211.007812 MB of memory in use. ENERGY: 4816600 722.2816 2084.7970 1937.5373 102.9888 -206154.2719 17912.2565 0.0000 0.0000 34588.8336 -148805.5771 302.0729 -183394.4107 -148700.9627 300.3353 44.9855 79.0329 557665.4057 -10.2570 -10.3338 PRESSURE: 4816800 -104.055 -12.5485 144.187 -12.5491 19.6174 -38.6444 144.186 -38.645 179.725 GPRESSURE: 4816800 -57.742 -13.4632 196.728 -35.4893 73.241 26.5454 38.1997 -108.786 175.523 PRESSAVG: 4816800 -22.2266 -32.046 17.9955 -32.0461 48.715 -36.7841 17.9955 -36.7841 -43.1377 GPRESSAVG: 4816800 -22.1243 -33.5575 17.9768 -34.9158 50.4763 -35.2186 16.5524 -38.6833 -45.7338 TIMING: 4816800 CPU: 14462.6, 0.00300917/step Wall: 14462.6, 0.00300917/step, 0.153133 hours remaining, 211.007812 MB of memory in use. ENERGY: 4816800 751.9125 2057.3795 1922.4603 120.8227 -205347.9719 17630.0638 0.0000 0.0000 34213.9908 -148651.3423 298.7993 -182865.3331 -148559.8274 300.7146 31.7624 63.6740 559215.4927 -5.5498 -5.7939 PRESSURE: 4817000 188.616 133.675 64.8946 133.675 -224.543 -89.0938 64.8932 -89.0945 -48.8603 GPRESSURE: 4817000 175.035 118.136 44.3221 166.49 -148.101 -93.7689 18.6534 -62.7078 -19.2372 PRESSAVG: 4817000 35.8416 -20.4625 12.5067 -20.4624 -13.7491 -18.6171 12.5066 -18.6172 27.2343 GPRESSAVG: 4817000 35.3185 -21.3048 14.5202 -18.6146 -15.0198 -17.9153 13.2668 -17.6449 29.744 TIMING: 4817000 CPU: 14463.2, 0.00298071/step Wall: 14463.2, 0.00298071/step, 0.151519 hours remaining, 211.007812 MB of memory in use. ENERGY: 4817000 741.9110 2092.8416 1952.9286 117.9534 -205905.2852 17800.8342 0.0000 0.0000 34561.6235 -148637.1929 301.8353 -183198.8164 -148540.3039 300.5877 -28.2624 2.5655 559521.1154 16.4423 16.6809 PRESSURE: 4817200 23.6199 -66.8843 131.948 -66.8846 -44.0135 4.58938 131.949 4.58935 -128.264 GPRESSURE: 4817200 52.3602 -120.806 73.8847 3.33748 11.2499 48.2549 134.727 1.43368 -106.946 PRESSAVG: 4817200 82.5866 -15.0215 28.8823 -15.0215 -4.75536 -45.6661 28.8822 -45.666 -58.2699 GPRESSAVG: 4817200 83.0193 -13.8026 27.6487 -14.533 -4.30504 -46.7678 28.8026 -46.9197 -59.4524 TIMING: 4817200 CPU: 14463.8, 0.00295676/step Wall: 14463.8, 0.00295676/step, 0.150137 hours remaining, 211.007812 MB of memory in use. ENERGY: 4817200 764.3813 2074.6419 1929.4393 103.0169 -205614.1903 17794.0685 0.0000 0.0000 34330.7685 -148617.8739 299.8191 -182948.6424 -148528.7458 300.4608 -49.5525 -14.4454 559457.6807 6.5205 6.4206 PRESSURE: 4817400 100.437 -29.7507 111.879 -29.7511 60.156 -215.077 111.88 -215.078 -3.08609 GPRESSURE: 4817400 139.617 -118.127 84.7249 -38.2621 58.208 -216.869 121.659 -266.38 54.9431 PRESSAVG: 4817400 -36.087 -84.5735 53.0614 -84.5736 80.5708 -41.7146 53.0614 -41.7146 -54.1783 GPRESSAVG: 4817400 -35.8011 -88.3874 51.8569 -85.3065 79.0814 -42.6918 54.5658 -42.0554 -53.2863 TIMING: 4817400 CPU: 14464.4, 0.00295026/step Wall: 14464.4, 0.00295026/step, 0.149644 hours remaining, 211.007812 MB of memory in use. ENERGY: 4817400 747.6715 2040.4115 1932.3806 110.4613 -205827.8985 17856.3123 0.0000 0.0000 34538.9378 -148601.7235 301.6371 -183140.6614 -148509.6480 300.3007 52.5022 84.2562 558139.4784 -3.2315 -3.3353 PRESSURE: 4817600 -136.642 173.46 -48.9017 173.461 -113.088 -111.809 -48.9001 -111.809 69.3674 GPRESSURE: 4817600 -86.7133 136.677 -21.8039 195.779 -105.388 -99.4835 -29.9954 -109.601 117.121 PRESSAVG: 4817600 2.77049 -80.243 -19.653 -80.2431 -20.9987 -41.7587 -19.653 -41.7587 33.7074 GPRESSAVG: 4817600 1.52323 -78.8567 -16.9917 -78.5922 -19.6205 -39.2409 -20.8401 -41.2849 33.4896 TIMING: 4817600 CPU: 14465, 0.00295871/step Wall: 14465, 0.00295871/step, 0.149908 hours remaining, 211.007812 MB of memory in use. ENERGY: 4817600 731.0616 2100.8478 1948.7734 111.1368 -205609.8716 17672.0145 0.0000 0.0000 34336.2444 -148709.7932 299.8670 -183046.0375 -148617.3326 301.2153 -60.1210 -24.9934 557581.7985 5.1597 5.1308 PRESSURE: 4817800 -194.363 -156.943 -121.609 -156.943 69.7945 53.8952 -121.61 53.8934 -127.471 GPRESSURE: 4817800 -150.755 -108 -19.943 -156.491 55.7764 93.5733 -183.904 20.7994 -53.6269 PRESSAVG: 4817800 -30.0276 -55.2996 -24.7606 -55.2996 65.6644 35.1214 -24.7606 35.1215 -23.2959 GPRESSAVG: 4817800 -29.6245 -55.3528 -26.0646 -56.3277 65.1958 34.5454 -26.8787 35.2167 -23.4766 TIMING: 4817800 CPU: 14465.6, 0.00294445/step Wall: 14465.6, 0.00294445/step, 0.149022 hours remaining, 211.007812 MB of memory in use. ENERGY: 4817800 704.7933 2101.9917 1965.1359 100.3325 -205512.9337 17481.9390 0.0000 0.0000 34454.6995 -148704.0417 300.9015 -183158.7413 -148604.4341 301.1024 -84.0132 -49.5352 557684.7611 4.1136 4.0316 PRESSURE: 4818000 -44.8704 4.15835 -28.1993 4.15614 -229.545 -75.2279 -28.1993 -75.2271 -358.45 GPRESSURE: 4818000 -46.0502 32.9787 5.54594 12.6025 -125.092 -140.304 -19.0544 -120.018 -355.539 PRESSAVG: 4818000 -42.8047 14.551 1.61175 14.5511 63.3882 29.6811 1.61174 29.6811 8.97702 GPRESSAVG: 4818000 -43.3902 17.1014 1.71157 14.2073 63.2243 30.5782 4.0851 28.5401 9.32789 TIMING: 4818000 CPU: 14466.2, 0.00298167/step Wall: 14466.2, 0.00298167/step, 0.15074 hours remaining, 211.007812 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: 4818000 731.1205 2114.4447 1928.8356 126.1626 -205476.9791 17437.3236 0.0000 0.0000 34496.4040 -148642.6881 301.2657 -183139.0921 -148545.3531 301.4467 -210.9551 -175.5603 559476.6489 9.8535 9.7207 PRESSURE: 4818200 217.645 58.5772 22.832 58.5764 -19.07 -2.06954 22.832 -2.06974 14.8764 GPRESSURE: 4818200 270.823 16.0814 37.7667 -5.99861 -6.321 -23.5216 41.4268 37.3985 36.2723 PRESSAVG: 4818200 8.98276 22.1226 64.5134 22.1226 -45.3421 -30.2089 64.5135 -30.2092 -0.0212054 GPRESSAVG: 4818200 8.91501 20.1631 65.7788 22.944 -45.1791 -30.7396 63.6693 -29.3829 -0.304309 TIMING: 4818200 CPU: 14466.8, 0.00299802/step Wall: 14466.8, 0.00299802/step, 0.1514 hours remaining, 211.007812 MB of memory in use. ENERGY: 4818200 701.2751 2091.2649 1921.0343 102.3284 -205709.5198 17806.3437 0.0000 0.0000 34490.4225 -148596.8510 301.2134 -183087.2734 -148495.9685 300.3801 71.1504 100.2581 558304.5549 -12.1268 -12.1895 PRESSURE: 4818400 44.3135 -75.5754 163.171 -75.5767 -120.765 0.346349 163.17 0.345018 -173.207 GPRESSURE: 4818400 -5.03374 2.89164 108.713 -27.4992 -17.6066 22.4923 261.497 -4.24186 -137.527 PRESSAVG: 4818400 36.3609 3.31355 30.153 3.31352 -101.496 -15.8947 30.153 -15.8948 49.9073 GPRESSAVG: 4818400 35.7596 5.39188 28.5835 0.446497 -101.548 -16.7076 30.0189 -16.8357 50.3764 TIMING: 4818400 CPU: 14467.3, 0.00298637/step Wall: 14467.3, 0.00298637/step, 0.150646 hours remaining, 211.007812 MB of memory in use. ENERGY: 4818400 741.3401 2053.2634 1924.3271 108.8060 -205401.9380 17467.4570 0.0000 0.0000 34434.9423 -148671.8020 300.7289 -183106.7444 -148575.1791 300.3139 -83.2196 -53.3893 558076.3640 -5.0760 -5.1374 PRESSURE: 4818600 -2.5549 125.171 95.2137 125.173 -177.471 -70.4295 95.2144 -70.4293 -136.688 GPRESSURE: 4818600 48.7382 169.942 62.6548 105.927 -124.889 -93.9019 131.947 -43.5743 -135.236 PRESSAVG: 4818600 7.80379 29.6087 24.2921 29.6087 -18.4152 11.6246 24.2921 11.6246 -11.2797 GPRESSAVG: 4818600 8.19303 27.5067 24.7043 31.8432 -16.8922 10.733 22.511 12.5683 -12.9334 TIMING: 4818600 CPU: 14467.9, 0.0030035/step Wall: 14467.9, 0.0030035/step, 0.151343 hours remaining, 211.007812 MB of memory in use. ENERGY: 4818600 712.3061 2087.4911 1952.9185 111.0151 -205834.8254 17627.6545 0.0000 0.0000 34445.7886 -148897.6517 300.8236 -183343.4402 -148807.4788 300.3976 -105.5712 -70.4622 557123.3357 -7.2970 -7.2108 PRESSURE: 4818800 -95.7427 134.677 -76.8573 134.677 -24.8969 -22.0772 -76.8555 -22.0767 -51.3852 GPRESSURE: 4818800 -79.5219 97.432 -110.276 147.706 94.3695 12.1552 -108.419 42.2233 -77.1261 PRESSAVG: 4818800 13.5105 9.46484 39.9968 9.4648 28.3829 -50.1393 39.9969 -50.1392 -36.1717 GPRESSAVG: 4818800 13.9282 11.2464 39.4545 9.81276 27.4087 -48.0057 42.0439 -47.6996 -35.6274 TIMING: 4818800 CPU: 14468.6, 0.00304337/step Wall: 14468.6, 0.00304337/step, 0.153183 hours remaining, 211.007812 MB of memory in use. ENERGY: 4818800 725.5157 2063.6300 1920.9890 106.1855 -205989.5208 17769.4608 0.0000 0.0000 34421.4799 -148982.2599 300.6113 -183403.7398 -148884.5065 299.7623 -57.3416 -20.7595 558221.7538 1.9072 1.9032 PRESSURE: 4819000 71.3463 -22.3847 -14.5764 -22.385 62.02 -56.039 -14.5755 -56.0391 -201.961 GPRESSURE: 4819000 58.956 -30.2154 -105.324 -5.77357 78.2824 -43.217 -60.5097 -64.0003 -107.02 PRESSAVG: 4819000 6.9752 -8.14257 18.3923 -8.14264 60.1136 -33.2782 18.3923 -33.2783 -58.4105 GPRESSAVG: 4819000 6.61121 -9.55989 18.8062 -8.69672 59.8932 -34.0232 17.5536 -34.2593 -57.698 TIMING: 4819000 CPU: 14469.2, 0.00301254/step Wall: 14469.2, 0.00301254/step, 0.151464 hours remaining, 211.007812 MB of memory in use. ENERGY: 4819000 746.6021 2088.7228 1934.2193 105.3427 -205959.4635 17658.9716 0.0000 0.0000 34518.3327 -148907.2725 301.4572 -183425.6052 -148813.0565 300.4730 -22.8650 10.0728 557375.7540 2.8928 2.9355 PRESSURE: 4819200 143.599 -30.8474 28.8084 -30.8475 225.305 -22.3017 28.8081 -22.3042 -6.99899 GPRESSURE: 4819200 121.915 1.78218 -23.8958 -138.425 308.213 47.6295 16.2464 11.876 29.5222 PRESSAVG: 4819200 27.5408 13.8497 -36.9751 13.8497 6.57732 -30.7235 -36.975 -30.7234 -54.7909 GPRESSAVG: 4819200 27.5821 14.5984 -37.9767 14.0893 6.60134 -31.4861 -33.6736 -31.7621 -54.8655 TIMING: 4819200 CPU: 14469.8, 0.00300903/step Wall: 14469.8, 0.00300903/step, 0.15112 hours remaining, 211.007812 MB of memory in use. ENERGY: 4819200 714.7695 2093.6069 1936.7029 111.6688 -206053.8538 17980.3110 0.0000 0.0000 34283.5990 -148933.1957 299.4072 -183216.7946 -148848.1967 299.9094 120.6349 153.2167 557895.8381 -6.8909 -6.8940 PRESSURE: 4819400 102.918 -127.732 -7.26347 -127.732 -101.936 208.552 -7.26157 208.552 -116.404 GPRESSURE: 4819400 129.147 -137.337 -17.5182 -160.393 -55.8355 171.86 31.2244 176.455 -80.8528 PRESSAVG: 4819400 61.8199 12.3835 -48.3682 12.3835 -2.74216 24.1726 -48.3682 24.1727 -77.9014 GPRESSAVG: 4819400 62.131 12.768 -46.0282 11.8769 -3.44401 26.1429 -53.0493 22.3958 -78.0458 TIMING: 4819400 CPU: 14470.4, 0.00298792/step Wall: 14470.4, 0.00298792/step, 0.149894 hours remaining, 211.007812 MB of memory in use. ENERGY: 4819400 737.7419 2058.5566 1931.4758 130.8188 -205995.5261 17808.2463 0.0000 0.0000 34208.4445 -149120.2421 298.7509 -183328.6866 -149025.7089 299.9838 -38.4743 -2.5137 557574.1479 -6.2746 -6.4529 PRESSURE: 4819600 -92.6407 9.34578 -189.696 9.34441 49.7434 218.784 -189.696 218.786 7.8928 GPRESSURE: 4819600 -84.1785 41.1382 -149.095 66.9128 60.6095 234.534 -205.704 137.306 85.8659 PRESSAVG: 4819600 -6.86756 26.8773 -4.02441 26.8772 25.9894 21.3497 -4.0244 21.3496 -26.3209 GPRESSAVG: 4819600 -8.75144 25.4818 -6.06189 27.327 26.9982 18.3688 -0.313405 24.0767 -25.8067 TIMING: 4819600 CPU: 14471, 0.0030053/step Wall: 14471, 0.0030053/step, 0.150599 hours remaining, 211.007812 MB of memory in use. ENERGY: 4819600 708.4474 2104.8851 1954.2542 107.4193 -206091.4962 17801.0109 0.0000 0.0000 34304.7568 -149110.7225 299.5920 -183415.4793 -149010.6590 299.1739 -11.6682 20.7656 558819.5521 -2.3997 -2.5200 PRESSURE: 4819800 -125.156 -91.5046 54.8441 -91.5054 -359.364 -112.8 54.8456 -112.799 74.1081 GPRESSURE: 4819800 -158.823 -52.9986 -39.0529 -39.203 -279.094 -229.786 -66.7906 -89.2002 114.946 PRESSAVG: 4819800 29.4607 57.288 -15.3958 57.288 -14.9115 4.68425 -15.3957 4.68431 -7.29326 GPRESSAVG: 4819800 29.7634 57.907 -14.1261 55.6282 -14.0681 4.56451 -15.5331 4.19812 -8.76512 TIMING: 4819800 CPU: 14471.6, 0.00300649/step Wall: 14471.6, 0.00300649/step, 0.150491 hours remaining, 211.007812 MB of memory in use. ENERGY: 4819800 792.6087 2066.0534 1952.0872 117.5655 -205802.2509 17779.4807 0.0000 0.0000 34122.4986 -148971.9568 298.0003 -183094.4553 -148881.6361 300.1749 -136.8040 -107.6570 559639.8721 2.4187 2.3100 PRESSURE: 4820000 -171.369 74.8387 77.8009 74.839 -104.478 -39.9311 77.8022 -39.9323 -60.0346 GPRESSURE: 4820000 -181.17 168.248 77.8314 56.4447 -32.1708 -76.9705 94.9271 142.822 -29.5498 PRESSAVG: 4820000 8.79728 -10.5828 26.9664 -10.5827 -38.547 66.9373 26.9664 66.9373 81.6026 GPRESSAVG: 4820000 9.87621 -11.6472 26.5548 -9.95066 -40.1685 68.3335 25.3214 64.7701 82.5106 TIMING: 4820000 CPU: 14472.2, 0.00301144/step Wall: 14472.2, 0.00301144/step, 0.150572 hours remaining, 211.007812 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: 4820000 761.8533 2145.0430 1958.7803 120.9705 -206084.8285 17660.4353 0.0000 0.0000 34360.1265 -149077.6195 300.0755 -183437.7460 -148979.3629 299.7710 -111.9603 -80.9636 558509.9491 17.2843 17.4061 PRESSURE: 4820200 -6.27511 -19.3405 29.4057 -19.341 -11.6209 295.792 29.4052 295.792 89.8788 GPRESSURE: 4820200 -15.8029 -32.374 -7.62197 -35.4486 33.9322 211.412 29.532 316.364 159.666 PRESSAVG: 4820200 3.98229 -12.3403 5.79129 -12.3403 -17.0726 26.9612 5.79132 26.9611 50.3869 GPRESSAVG: 4820200 2.60054 -11.993 6.74379 -13.3494 -17.0278 27.1741 5.03108 27.9632 51.461 TIMING: 4820200 CPU: 14472.8, 0.00298726/step Wall: 14472.8, 0.00298726/step, 0.149197 hours remaining, 211.007812 MB of memory in use. ENERGY: 4820200 711.3816 2106.7372 1922.4542 114.3904 -206281.7574 17785.3698 0.0000 0.0000 34474.7084 -149166.7159 301.0762 -183641.4243 -149060.7343 299.3607 23.9942 59.2651 557409.7198 12.4322 12.3446 LDB: ============= START OF LOAD BALANCING ============== 14476.3 LDB: ============== END OF LOAD BALANCING =============== 14476.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14476.3 LDB: ============= START OF LOAD BALANCING ============== 14476.6 LDB: Largest compute 4774 load 0.026336 is 22.3% of average load 0.118308 LDB: Average compute 0.001723 is 1.5% of average load 0.118308 LDB: TIME 14476.6 LOAD: AVG 0.118308 MAX 0.214599 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.734 MB LDB: TIME 14476.6 LOAD: AVG 0.118308 MAX 0.214599 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.734 MB LDB: TIME 14476.6 LOAD: AVG 0.118308 MAX 0.214599 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.734 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14476.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14476.6 PRESSURE: 4820400 -171.106 13.6147 92.4626 13.6156 52.0188 22.9458 92.4631 22.9456 -55.9366 GPRESSURE: 4820400 -196.782 67.0931 38.2306 -14.3021 118.255 -74.7195 89.2283 114.806 3.95056 PRESSAVG: 4820400 -23.6235 -67.4367 -4.51874 -67.4366 -8.49646 2.97383 -4.51873 2.97383 13.1806 GPRESSAVG: 4820400 -23.4154 -68.0805 -5.56055 -68.5604 -7.65051 4.18358 -3.37915 4.10277 11.7741 TIMING: 4820400 CPU: 14473.4, 0.00304446/step Wall: 14473.4, 0.00304446/step, 0.151885 hours remaining, 209.781250 MB of memory in use. ENERGY: 4820400 783.2650 2058.5526 1928.6771 119.2693 -206031.3901 17695.1988 0.0000 0.0000 34362.0484 -149084.3789 300.0923 -183446.4273 -148985.6512 299.2624 -58.3413 -24.8586 556932.7633 -6.3131 -6.4306 PRESSURE: 4820600 -198.868 -2.72536 51.868 -2.72502 -113.355 141.832 51.8676 141.83 212.608 GPRESSURE: 4820600 -175.55 -17.1979 6.69189 -20.2008 -93.9535 114.409 12.8159 55.401 268.508 PRESSAVG: 4820600 -21.5201 -15.8773 -12.1926 -15.8773 9.20389 31.9659 -12.1926 31.9659 -31.3376 GPRESSAVG: 4820600 -21.2131 -14.4416 -13.0193 -15.5976 8.8392 29.5235 -12.5952 33.5451 -31.8808 TIMING: 4820600 CPU: 14474, 0.00300306/step Wall: 14474, 0.00300306/step, 0.149653 hours remaining, 209.832031 MB of memory in use. ENERGY: 4820600 705.5290 2064.4830 1956.7081 116.2381 -206037.9099 17652.0674 0.0000 0.0000 34225.3662 -149317.5180 298.8986 -183542.8842 -149224.4221 299.1429 -33.2051 -0.3319 557094.8091 -14.5513 -14.7516 PRESSURE: 4820800 -6.1179 -53.1285 30.9406 -53.1276 231.19 2.5492 30.9408 2.54961 -96.2145 GPRESSURE: 4820800 -23.2739 -60.2496 47.1041 -61.9865 304.891 -3.27362 8.70653 52.4785 -55.0209 PRESSAVG: 4820800 -86.5762 12.5285 27.087 12.5285 43.9644 20.8103 27.0871 20.8103 29.7641 GPRESSAVG: 4820800 -86.047 11.5249 27.6876 13.3594 44.0647 20.8241 27.5066 18.3984 29.0373 TIMING: 4820800 CPU: 14474.6, 0.00299445/step Wall: 14474.6, 0.00299445/step, 0.149057 hours remaining, 209.832031 MB of memory in use. ENERGY: 4820800 739.2630 2083.8153 1944.0556 129.2118 -206460.4654 17798.4626 0.0000 0.0000 34366.2690 -149399.3880 300.1292 -183765.6570 -149303.4236 298.6882 42.9525 75.5320 557440.5654 -4.2826 -4.3150 PRESSURE: 4821000 -290.104 -51.0578 -233.102 -51.0588 -343.733 111.948 -233.104 111.948 -240.567 GPRESSURE: 4821000 -288.98 26.0533 -132.638 -23.1764 -283.672 66.0837 -141 95.6392 -193.955 PRESSAVG: 4821000 -92.3459 -30.7919 1.18103 -30.7919 113.83 59.4172 1.18106 59.4172 17.9348 GPRESSAVG: 4821000 -93.6633 -29.8032 2.52037 -29.7006 113.889 59.6866 2.32147 59.9438 19.1036 TIMING: 4821000 CPU: 14475.2, 0.00297133/step Wall: 14475.2, 0.00297133/step, 0.147741 hours remaining, 209.832031 MB of memory in use. ENERGY: 4821000 748.9803 2037.5902 1962.0511 103.9292 -206099.7042 17611.7883 0.0000 0.0000 34236.9017 -149398.4635 298.9994 -183635.3652 -149292.6968 298.3585 -291.4682 -255.5356 558531.0021 13.1396 13.1096 PRESSURE: 4821200 -99.1628 -49.7047 63.1342 -49.7047 176.055 155.59 63.1358 155.591 75.8103 GPRESSURE: 4821200 -48.4142 -26.7668 15.8488 -29.6516 233.402 139.276 93.7226 243.245 64.564 PRESSAVG: 4821200 -75.7664 30.1645 -8.32171 30.1644 95.7827 17.6911 -8.32168 17.6912 -24.4961 GPRESSAVG: 4821200 -75.7758 28.3169 -9.80447 28.6527 94.9006 18.7324 -6.91763 17.0405 -23.5081 TIMING: 4821200 CPU: 14475.8, 0.0029535/step Wall: 14475.8, 0.0029535/step, 0.146691 hours remaining, 209.832031 MB of memory in use. ENERGY: 4821200 692.0229 2060.7757 1919.8576 116.5333 -206145.9022 17806.3020 0.0000 0.0000 34251.9997 -149298.4110 299.1312 -183550.4107 -149194.2059 299.2418 50.9007 83.1838 558092.0752 -1.4933 -1.4611 PRESSURE: 4821400 -79.8295 73.2919 142.926 73.2926 158.727 27.9924 142.925 27.9933 56.9504 GPRESSURE: 4821400 -75.8358 125.248 114.29 30.8701 200.534 -17.8523 112.445 -3.16799 92.8218 PRESSAVG: 4821400 -15.4407 -1.89889 30.6783 -1.89897 4.4954 22.4481 30.6783 22.4481 -3.95492 GPRESSAVG: 4821400 -15.3811 -0.789868 31.165 -0.178689 5.21986 19.689 27.4414 23.8092 -4.45599 TIMING: 4821400 CPU: 14476.4, 0.00298533/step Wall: 14476.4, 0.00298533/step, 0.148105 hours remaining, 209.832031 MB of memory in use. ENERGY: 4821400 735.5496 2114.5774 1982.6331 97.2035 -206356.9037 18041.9661 0.0000 0.0000 34211.6018 -149173.3723 298.7784 -183384.9741 -149076.0673 298.2826 45.2825 72.5067 559475.7618 -4.9668 -4.8724 PRESSURE: 4821600 206.393 71.6077 -104.134 71.6067 47.9782 -176.108 -104.134 -176.108 72.5438 GPRESSURE: 4821600 207.919 58.4245 -89.7393 52.539 96.8024 -170.85 -84.5778 -158.419 117.234 PRESSAVG: 4821600 2.63282 -24.6612 1.54132 -24.6612 22.0623 -5.74024 1.54135 -5.74029 -72.8724 GPRESSAVG: 4821600 3.30827 -23.7419 2.00841 -25.3043 21.9354 -3.79746 1.79849 -7.07538 -73.3541 TIMING: 4821600 CPU: 14476.9, 0.00295991/step Wall: 14476.9, 0.00295991/step, 0.14668 hours remaining, 209.832031 MB of memory in use. ENERGY: 4821600 722.0187 2024.0068 1944.0709 94.8983 -206227.8904 17911.0297 0.0000 0.0000 34209.9861 -149321.8798 298.7643 -183531.8659 -149226.1085 298.8404 108.9716 140.6518 558481.8067 -16.0591 -16.0368 PRESSURE: 4821800 -11.141 -146.194 63.7339 -146.194 -137.658 45.5815 63.7341 45.5813 -347.812 GPRESSURE: 4821800 -32.2412 -118.433 78.6528 -194.277 -73.4554 32.5024 33.8087 94.874 -295.978 PRESSAVG: 4821800 42.9557 19.6811 4.95255 19.6812 36.0651 -27.2953 4.95253 -27.2954 -77.7309 GPRESSAVG: 4821800 41.2916 19.5424 4.49123 20.6393 36.1159 -27.2867 5.37883 -28.1811 -76.3267 TIMING: 4821800 CPU: 14477.5, 0.00295964/step Wall: 14477.5, 0.00295964/step, 0.146502 hours remaining, 209.832031 MB of memory in use. ENERGY: 4821800 737.0831 2046.8947 1951.6453 116.4350 -206045.6414 17542.3273 0.0000 0.0000 34317.9758 -149333.2801 299.7074 -183651.2560 -149234.1515 298.6519 -165.5370 -133.8916 558641.2434 0.4300 0.3603 PRESSURE: 4822000 -315.418 -61.5539 -175.356 -61.5543 -146.318 -16.3414 -175.356 -16.3419 -160.541 GPRESSURE: 4822000 -263.295 -93.4732 -105.847 -47.3467 -93.9313 39.0797 -159.708 -17.6353 -160.318 PRESSAVG: 4822000 -2.5042 -48.817 -22.3026 -48.817 37.6722 18.7975 -22.3026 18.7974 -44.6171 GPRESSAVG: 4822000 -0.724745 -48.688 -21.6633 -48.3884 38.0858 18.2862 -22.6717 19.7214 -46.538 TIMING: 4822000 CPU: 14478.1, 0.00298609/step Wall: 14478.1, 0.00298609/step, 0.147645 hours remaining, 209.832031 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: 4822000 761.3073 2102.7215 1964.4786 109.9029 -206361.1864 17676.7888 0.0000 0.0000 34510.8296 -149235.1576 301.3917 -183745.9873 -149141.4338 299.2988 -207.4258 -172.5147 558456.3440 -3.1497 -3.0590 PRESSURE: 4822200 46.8732 -55.6436 -55.5071 -55.6445 48.8372 34.4704 -55.5069 34.4697 63.2223 GPRESSURE: 4822200 16.0837 -46.6036 -3.52617 -53.8055 162.444 71.4294 -132.25 -5.23745 80.268 PRESSAVG: 4822200 -17.4741 -34.9778 -25.3528 -34.9778 15.5909 35.0697 -25.3527 35.0697 -16.8595 GPRESSAVG: 4822200 -17.889 -35.4695 -26.1969 -34.3525 16.3839 37.2054 -23.5525 36.3437 -16.9991 TIMING: 4822200 CPU: 14478.7, 0.00300251/step Wall: 14478.7, 0.00300251/step, 0.148291 hours remaining, 209.832031 MB of memory in use. ENERGY: 4822200 748.9775 2094.8592 1945.9763 109.9517 -206344.9171 17806.1258 0.0000 0.0000 34289.5828 -149349.4437 299.4595 -183639.0266 -149260.5854 298.6205 52.9776 86.2651 557276.3573 -6.2475 -6.1681 PRESSURE: 4822400 56.0993 -120.341 36.1183 -120.341 -134.19 66.1769 36.1185 66.1778 -109.214 GPRESSURE: 4822400 51.2456 -128.548 32.0979 -124.311 -17.5442 115.583 58.2631 -29.1009 -121.132 PRESSAVG: 4822400 -56.7442 34.7607 36.2231 34.7607 84.7007 -20.8725 36.2231 -20.8725 -29.4178 GPRESSAVG: 4822400 -56.2696 35.096 38.1663 32.7509 84.6881 -21.8499 36.2235 -22.6403 -29.616 TIMING: 4822400 CPU: 14479.3, 0.00298204/step Wall: 14479.3, 0.00298204/step, 0.147114 hours remaining, 209.832031 MB of memory in use. ENERGY: 4822400 750.1094 2097.9665 1947.9058 107.9536 -206194.8865 17723.7011 0.0000 0.0000 34133.5110 -149433.7392 298.0964 -183567.2501 -149337.4051 299.1820 -62.4347 -29.1434 557787.6212 -0.4871 -0.3992 PRESSURE: 4822600 -117.306 86.5168 -38.7688 86.516 -178.559 -147.04 -38.7685 -147.04 -70.4703 GPRESSURE: 4822600 -125.927 154.773 -41.9084 121.926 -127.864 -153.044 -72.6292 -216.851 0.232437 PRESSAVG: 4822600 10.2073 15.8988 18.0095 15.8988 -9.74553 16.7551 18.0094 16.7552 -7.29683 GPRESSAVG: 4822600 10.3455 16.265 17.6734 16.7447 -11.0453 15.0226 16.0002 18.5941 -6.60051 TIMING: 4822600 CPU: 14479.9, 0.00296799/step Wall: 14479.9, 0.00296799/step, 0.146256 hours remaining, 209.832031 MB of memory in use. ENERGY: 4822600 716.1371 2111.3136 1954.7733 113.1236 -206032.3239 17507.4345 0.0000 0.0000 34180.4883 -149449.0534 298.5067 -183629.5417 -149358.5665 298.7059 -122.1118 -84.5196 557307.7208 -2.2783 -2.4334 PRESSURE: 4822800 40.6173 198.62 -31.1363 198.622 -82.5 -32.1448 -31.1371 -32.1457 -109.941 GPRESSURE: 4822800 91.191 226.801 -46.2004 202.094 -32.0912 -31.0228 -39.738 -69.7028 -106.319 PRESSAVG: 4822800 -74.8319 24.8321 3.46362 24.8321 -17.1222 -60.9648 3.46352 -60.9647 93.8171 GPRESSAVG: 4822800 -76.1139 23.2678 2.83381 24.7938 -15.9329 -60.3837 6.00706 -61.649 93.9863 TIMING: 4822800 CPU: 14480.5, 0.00297508/step Wall: 14480.5, 0.00297508/step, 0.14644 hours remaining, 209.832031 MB of memory in use. ENERGY: 4822800 743.2056 2080.0505 1947.5629 120.4196 -206595.4178 17832.8893 0.0000 0.0000 34251.0950 -149620.1950 299.1233 -183871.2900 -149523.6304 299.4922 -50.6079 -15.7396 556323.2402 0.6210 0.6465 PRESSURE: 4823000 76.221 202.63 121.556 202.63 -44.327 24.7228 121.556 24.7222 -68.4914 GPRESSURE: 4823000 61.3693 181.374 125.279 193.494 36.2945 149.583 55.4888 5.59575 -36.9825 PRESSAVG: 4823000 -20.308 3.82924 -22.7844 3.82917 7.50153 -6.09585 -22.7843 -6.09596 -2.41195 GPRESSAVG: 4823000 -20.0591 4.8477 -22.7079 4.68922 7.80469 -4.45803 -24.9004 -6.42341 -3.39273 TIMING: 4823000 CPU: 14481.1, 0.0029635/step Wall: 14481.1, 0.0029635/step, 0.145706 hours remaining, 209.832031 MB of memory in use. ENERGY: 4823000 753.6472 2033.5618 1954.8959 109.8370 -206415.6094 17855.8618 0.0000 0.0000 34230.7934 -149477.0125 298.9460 -183707.8059 -149379.3824 298.4626 -12.1991 20.2271 556892.9991 -5.0728 -5.2157 PRESSURE: 4823200 -359.662 -57.3881 21.9346 -57.3892 65.1286 134.255 21.9339 134.256 187.247 GPRESSURE: 4823200 -289.682 -5.35124 70.2322 -143.689 66.1311 172.964 17.2252 150.384 216.784 PRESSAVG: 4823200 -79.3165 -12.4776 -40.4603 -12.4776 -20.3007 33.0685 -40.4602 33.0687 87.2886 GPRESSAVG: 4823200 -78.1768 -11.889 -41.321 -13.162 -21.5727 30.7866 -38.6635 32.5543 87.4691 TIMING: 4823200 CPU: 14481.7, 0.00296681/step Wall: 14481.7, 0.00296681/step, 0.145703 hours remaining, 209.832031 MB of memory in use. ENERGY: 4823200 732.9207 2058.5429 1948.4619 120.4312 -206694.3976 18070.1786 0.0000 0.0000 34278.8326 -149485.0298 299.3656 -183763.8624 -149381.5790 298.7185 -35.7621 -2.2556 557791.8500 -4.1095 -4.0935 PRESSURE: 4823400 76.2873 2.14228 171.109 2.14257 10.6606 62.1257 171.108 62.1233 -58.6096 GPRESSURE: 4823400 101.687 31.9831 214.78 -47.5778 38.1304 -17.7618 194.964 160.402 -18.8601 PRESSAVG: 4823400 -73.7622 11.285 31.3434 11.2851 61.8231 21.7494 31.3433 21.7494 36.1134 GPRESSAVG: 4823400 -73.1502 10.4491 33.1879 11.0419 62.0094 23.5181 30.9647 21.6726 36.0982 TIMING: 4823400 CPU: 14482.3, 0.00293328/step Wall: 14482.3, 0.00293328/step, 0.143894 hours remaining, 209.832031 MB of memory in use. ENERGY: 4823400 734.4736 2108.3870 1969.3712 126.3161 -206808.5945 17982.0856 0.0000 0.0000 34319.1388 -149568.8222 299.7176 -183887.9610 -149470.7447 298.5309 9.4461 40.3190 556775.0041 8.0581 8.3192 PRESSURE: 4823600 78.1023 63.8658 169.978 63.8662 -241.671 -69.8101 169.978 -69.8088 -328.103 GPRESSURE: 4823600 51.992 72.4746 158.81 -23.21 -204.83 -45.7076 135.401 -111.976 -250.246 PRESSAVG: 4823600 -31.1742 -40.6356 -31.7038 -40.6356 2.25817 9.71641 -31.7038 9.71646 28.2657 GPRESSAVG: 4823600 -31.2918 -40.8929 -33.367 -39.8774 2.61836 9.38212 -31.53 8.64607 27.8001 TIMING: 4823600 CPU: 14482.9, 0.00293935/step Wall: 14482.9, 0.00293935/step, 0.144028 hours remaining, 209.832031 MB of memory in use. ENERGY: 4823600 744.2074 2051.9612 1965.4785 104.9832 -206242.2932 17740.3428 0.0000 0.0000 34017.0439 -149618.2763 297.0793 -183635.3201 -149516.3204 298.8880 -163.8907 -134.3613 557940.3755 -0.2168 -0.2911 PRESSURE: 4823800 -403.216 -43.1583 -71.1758 -43.1592 340.913 -186.245 -71.1749 -186.243 -60.4804 GPRESSURE: 4823800 -367.946 -109.637 -71.672 -16.5841 372.595 -215.168 -37.7624 -160.444 -30.818 PRESSAVG: 4823800 -34.8499 0.259982 -16.2869 0.260006 -5.91842 -44.6587 -16.287 -44.6587 -25.7474 GPRESSAVG: 4823800 -34.3549 0.197813 -16.9121 2.01612 -7.19308 -45.4465 -15.6618 -43.2281 -24.2097 TIMING: 4823800 CPU: 14483.5, 0.00294774/step Wall: 14483.5, 0.00294774/step, 0.144275 hours remaining, 209.832031 MB of memory in use. ENERGY: 4823800 756.9672 2065.9312 1977.0627 116.0901 -206201.3216 17709.3254 0.0000 0.0000 34120.8361 -149455.1089 297.9857 -183575.9450 -149354.2824 298.1009 -40.9277 -8.7232 558507.2098 -22.1719 -21.9192 PRESSURE: 4824000 -300.222 39.911 -12.8225 39.9111 -204.457 -82.3258 -12.8227 -82.3259 -145.371 GPRESSURE: 4824000 -306.905 -54.5205 3.70863 76.5393 -121.923 -205.566 -30.0777 13.8784 -115.232 PRESSAVG: 4824000 -43.8818 -34.4481 -21.1048 -34.4482 51.0531 -71.3297 -21.1048 -71.3297 6.50604 GPRESSAVG: 4824000 -44.0225 -34.1241 -20.5744 -36.1949 52.1311 -70.282 -21.2147 -69.4079 6.03919 TIMING: 4824000 CPU: 14484.1, 0.00294372/step Wall: 14484.1, 0.00294372/step, 0.143915 hours remaining, 209.832031 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: 4824000 781.8140 2092.5273 1958.1694 110.8266 -206040.0476 17522.6619 0.0000 0.0000 34123.8084 -149450.2400 298.0117 -183574.0483 -149349.0684 298.6493 -216.6834 -181.3533 556380.0794 4.5591 4.7159 PRESSURE: 4824200 -103.132 -55.1534 7.71956 -55.1535 -121.697 37.5288 7.71799 37.5296 -33.7106 GPRESSURE: 4824200 -76.6102 -67.744 89.0066 -56.4418 -63.1112 2.69165 38.9778 56.7909 -25.6156 PRESSAVG: 4824200 8.24172 -29.8591 36.1853 -29.8592 66.7443 -43.5277 36.1853 -43.5276 -60.1893 GPRESSAVG: 4824200 7.12716 -28.9076 35.9881 -31.6274 66.7634 -45.1509 37.825 -45.7128 -59.0815 TIMING: 4824200 CPU: 14484.7, 0.00295783/step Wall: 14484.7, 0.00295783/step, 0.144441 hours remaining, 210.074219 MB of memory in use. ENERGY: 4824200 744.3324 2018.5023 1922.9216 105.5407 -206223.4333 17816.5147 0.0000 0.0000 34228.3628 -149387.2588 298.9248 -183615.6217 -149289.1007 298.5618 -86.1801 -55.1123 558115.1995 4.9323 4.9363 LDB: ============= START OF LOAD BALANCING ============== 14488.2 LDB: ============== END OF LOAD BALANCING =============== 14488.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14488.2 LDB: ============= START OF LOAD BALANCING ============== 14488.5 LDB: Largest compute 4774 load 0.026156 is 22.1% of average load 0.118361 LDB: Average compute 0.001717 is 1.5% of average load 0.118361 LDB: TIME 14488.5 LOAD: AVG 0.118361 MAX 0.214166 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.293 MB LDB: TIME 14488.5 LOAD: AVG 0.118361 MAX 0.214166 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.496 MB LDB: TIME 14488.5 LOAD: AVG 0.118361 MAX 0.214166 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.496 MB LDB: ============== END OF LOAD BALANCING =============== 14488.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14488.5 PRESSURE: 4824400 -30.4994 -50.9894 -105.838 -50.9898 -238.306 -199.343 -105.838 -199.344 -108.775 GPRESSURE: 4824400 83.3293 -23.3926 -219.146 -112.886 -255.657 -157.428 -123.468 -184.387 -109.814 PRESSAVG: 4824400 36.7653 20.7878 -8.73767 20.7877 8.21609 -47.298 -8.73771 -47.298 -29.9919 GPRESSAVG: 4824400 38.2725 18.4828 -6.35052 23.051 7.97451 -46.1905 -12.1211 -47.6014 -31.1952 TIMING: 4824400 CPU: 14485.3, 0.00305504/step Wall: 14485.3, 0.00305504/step, 0.149018 hours remaining, 209.292969 MB of memory in use. ENERGY: 4824400 758.0887 2050.9465 1941.8923 108.0798 -206235.7939 17730.8495 0.0000 0.0000 34193.2999 -149452.6373 298.6186 -183645.9371 -149348.6898 298.0197 -125.8601 -94.0472 557837.2966 4.9965 5.0173 PRESSURE: 4824600 59.4533 43.3229 -0.83559 43.3217 -44.0959 -231.113 -0.83627 -231.114 -76.3999 GPRESSURE: 4824600 91.8924 -8.04625 0.285414 146.165 -24.2023 -287.484 48.3504 -236.941 -30.4026 PRESSAVG: 4824600 -5.35673 21.838 -28.412 21.8379 0.985079 -22.0343 -28.412 -22.0343 20.2861 GPRESSAVG: 4824600 -5.44791 25.6466 -32.3024 20.7638 0.284881 -23.161 -26.8303 -22.3244 20.9042 TIMING: 4824600 CPU: 14485.9, 0.00296707/step Wall: 14485.9, 0.00296707/step, 0.144562 hours remaining, 209.496094 MB of memory in use. ENERGY: 4824600 758.5070 2007.4974 1931.9810 122.6735 -206436.9204 18005.7671 0.0000 0.0000 34292.9180 -149317.5764 299.4886 -183610.4944 -149225.1266 298.4353 -20.3475 12.4292 559322.2380 5.3048 5.2471 PRESSURE: 4824800 188.197 -13.3288 -57.6409 -13.3288 -278.659 -43.9997 -57.641 -43.9993 111.539 GPRESSURE: 4824800 187.074 21.0248 7.60375 -38.2952 -294.132 -70.1357 -145.508 25.577 225.153 PRESSAVG: 4824800 13.954 73.1111 -61.2744 73.111 -48.9341 -28.8687 -61.2744 -28.8686 17.7974 GPRESSAVG: 4824800 13.9643 70.1806 -59.9056 73.0967 -50.4009 -29.2258 -60.2697 -27.1015 19.3739 TIMING: 4824800 CPU: 14486.5, 0.00297799/step Wall: 14486.5, 0.00297799/step, 0.144929 hours remaining, 209.496094 MB of memory in use. ENERGY: 4824800 737.5698 2069.6202 1942.1853 116.3478 -206346.1793 17976.0221 0.0000 0.0000 34364.4703 -149139.9639 300.1135 -183504.4341 -149039.4254 299.1317 7.0259 39.3649 558761.5411 -5.7276 -5.6876 PRESSURE: 4825000 -375.627 107.392 74.1034 107.392 -165.793 11.3297 74.1038 11.331 25.0889 GPRESSURE: 4825000 -330.258 55.8027 74.4354 89.3001 -127.105 78.0023 152.704 -11.687 36.9969 PRESSAVG: 4825000 22.634 14.891 -9.46806 14.891 -48.6984 13.0088 -9.46798 13.0088 46.3061 GPRESSAVG: 4825000 22.0646 14.7348 -9.29444 15.8701 -46.0816 14.1208 -10.7014 12.6903 44.0426 TIMING: 4825000 CPU: 14487, 0.00298619/step Wall: 14487, 0.00298619/step, 0.145162 hours remaining, 209.496094 MB of memory in use. ENERGY: 4825000 760.3128 2072.9185 1930.8166 109.5899 -205619.4123 17659.5735 0.0000 0.0000 34209.9049 -148876.2961 298.7636 -183086.2010 -148776.3244 299.4122 -172.1106 -140.1221 559540.3373 6.7472 6.6752 PRESSURE: 4825200 -28.4135 -100.13 -90.5081 -100.131 35.3035 99.5111 -90.5081 99.5119 120.994 GPRESSURE: 4825200 37.3148 -103.67 -109.138 -108.558 39.5787 50.6298 -139.091 84.1385 146.513 PRESSAVG: 4825200 13.3898 41.0236 -6.86911 41.0237 -80.2111 20.0582 -6.86914 20.0583 76.6612 GPRESSAVG: 4825200 13.281 43.0545 -5.97855 40.4844 -80.7866 20.3981 -5.94369 20.3241 77.038 TIMING: 4825200 CPU: 14487.6, 0.00301061/step Wall: 14487.6, 0.00301061/step, 0.146182 hours remaining, 209.496094 MB of memory in use. ENERGY: 4825200 716.9564 2076.3513 1951.1342 128.3297 -206056.8306 17850.0810 0.0000 0.0000 34669.7390 -148664.2388 302.7795 -183333.9778 -148565.7308 300.2202 42.6280 74.4689 558492.7523 3.2800 3.1775 PRESSURE: 4825400 53.6254 -1.80306 -100.369 -1.80417 185.543 -94.4938 -100.368 -94.4932 228.716 GPRESSURE: 4825400 66.6709 90.3434 -93.685 24.6152 253.24 -106.421 -104.085 -76.3871 235.061 PRESSAVG: 4825400 -47.6679 -46.7636 -69.9193 -46.7636 -31.7778 -0.00520301 -69.9193 -0.00518247 45.5241 GPRESSAVG: 4825400 -46.3983 -45.7012 -68.0445 -47.0954 -32.3805 -1.14637 -69.9576 0.869202 45.1052 TIMING: 4825400 CPU: 14488.3, 0.00303566/step Wall: 14488.3, 0.00303566/step, 0.14723 hours remaining, 209.496094 MB of memory in use. ENERGY: 4825400 750.2645 2097.3704 1941.8287 96.0823 -206159.3018 18024.0412 0.0000 0.0000 34397.4066 -148852.3081 300.4011 -183249.7148 -148756.9138 301.1704 155.9614 184.9905 557501.9728 -11.3072 -11.2246 PRESSURE: 4825600 -63.6479 -74.2245 -4.411 -74.2252 -344.778 19.7647 -4.41259 19.7639 3.16322 GPRESSURE: 4825600 -67.0476 -15.9961 26.2257 -122.664 -283.071 -29.5352 16.5882 130.925 48.8965 PRESSAVG: 4825600 -22.8884 22.7878 -22.1751 22.7877 -15.5418 1.10651 -22.1751 1.10641 47.1998 GPRESSAVG: 4825600 -24.2721 21.3438 -25.6688 23.4004 -14.9612 2.32172 -20.88 0.0650658 48.2024 TIMING: 4825600 CPU: 14488.9, 0.00302258/step Wall: 14488.9, 0.00302258/step, 0.146427 hours remaining, 209.496094 MB of memory in use. ENERGY: 4825600 745.2128 2087.8744 1945.2246 107.9622 -205746.1085 17543.0788 0.0000 0.0000 34365.5994 -148951.1564 300.1233 -183316.7558 -148859.4999 300.4099 -135.0877 -100.4075 557782.0629 2.9232 2.9897 PRESSURE: 4825800 310.291 -24.4142 -71.1234 -24.4153 268.142 174.457 -71.124 174.457 27.7739 GPRESSURE: 4825800 288.787 -36.5729 -29.0886 5.46171 287.649 197.997 -110.81 127.934 119.233 PRESSAVG: 4825800 66.6911 -41.1039 51.3242 -41.104 -50.9463 -2.48219 51.3243 -2.48223 -27.7318 GPRESSAVG: 4825800 66.258 -41.7476 52.6995 -41.636 -51.519 -3.0675 49.6395 -3.40136 -27.0524 TIMING: 4825800 CPU: 14489.5, 0.00300587/step Wall: 14489.5, 0.00300587/step, 0.145451 hours remaining, 209.496094 MB of memory in use. ENERGY: 4825800 764.5373 2046.6432 1922.8944 116.0678 -206096.9925 17952.4444 0.0000 0.0000 34234.2018 -149060.2037 298.9758 -183294.4055 -148957.4688 300.3793 202.0689 231.8895 557005.5714 -3.9957 -4.1045 PRESSURE: 4826000 -126.139 136.612 -19.4761 136.612 -111.003 67.0637 -19.4761 67.0641 -306.899 GPRESSURE: 4826000 -59.3133 99.2531 -36.6067 70.8319 -94.6292 12.1686 5.00886 136.775 -296.053 PRESSAVG: 4826000 81.1854 -14.8623 -8.33666 -14.8623 37.071 65.6757 -8.33678 65.6756 -96.8311 GPRESSAVG: 4826000 81.542 -14.6623 -8.9114 -15.2853 37.8849 65.9695 -7.14754 65.3812 -98.2172 TIMING: 4826000 CPU: 14490.1, 0.00297756/step Wall: 14490.1, 0.00297756/step, 0.143915 hours remaining, 209.496094 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: 4826000 752.7774 2045.0398 1948.9948 107.1102 -205888.8960 17497.7154 0.0000 0.0000 34320.4825 -149216.7759 299.7293 -183537.2584 -149119.0746 299.1196 -181.3470 -149.9985 558140.0639 7.1417 7.0699 PRESSURE: 4826200 -123.78 65.8516 -147.607 65.8504 -29.6903 -67.8374 -147.608 -67.8371 -25.6127 GPRESSURE: 4826200 -64.5744 71.4723 -217.67 92.0009 -43.2522 -63.9808 -143.702 -3.2653 14.5769 PRESSAVG: 4826200 40.5687 2.22191 -22.2484 2.22191 -16.1603 52.7321 -22.2484 52.7321 -25.3886 GPRESSAVG: 4826200 41.2226 3.31975 -21.5227 1.15901 -17.0831 51.0317 -22.5221 54.6093 -25.7661 TIMING: 4826200 CPU: 14490.7, 0.00296872/step Wall: 14490.7, 0.00296872/step, 0.143323 hours remaining, 209.496094 MB of memory in use. ENERGY: 4826200 777.7998 2098.8555 1937.4431 114.1114 -205953.4127 17675.2879 0.0000 0.0000 34059.0176 -149290.8973 297.4459 -183349.9149 -149197.9067 299.3896 -59.6945 -31.0832 556324.7701 -0.3267 -0.5422 PRESSURE: 4826400 205.107 3.47038 31.2778 3.47017 -3.26043 110.734 31.2776 110.734 -186.811 GPRESSURE: 4826400 198.276 4.07369 81.0294 31.1435 21.3836 118.163 33.5633 55.0718 -103.55 PRESSAVG: 4826400 44.8896 31.6089 1.80746 31.6089 -12.7207 37.3738 1.80745 37.3737 10.0493 GPRESSAVG: 4826400 44.9388 30.4916 3.21319 32.414 -12.7953 37.2191 -0.379459 35.8558 10.6313 TIMING: 4826400 CPU: 14491.2, 0.00299193/step Wall: 14491.2, 0.00299193/step, 0.144278 hours remaining, 209.496094 MB of memory in use. ENERGY: 4826400 771.8550 2073.4976 1963.2765 112.6027 -206646.4952 17980.9419 0.0000 0.0000 34295.6154 -149448.7062 299.5121 -183744.3216 -149358.8412 298.9727 5.0118 38.7032 557257.8801 14.0727 14.2582 PRESSURE: 4826600 75.4233 -129.419 16.0866 -129.419 30.9994 203.207 16.0863 203.205 184.891 GPRESSURE: 4826600 162.276 -130.548 -55.4512 -108.57 3.12387 184.335 26.9798 226.976 235.36 PRESSAVG: 4826600 128.145 -64.81 -20.0557 -64.81 -26.7505 46.3443 -20.0557 46.3442 -53.8335 GPRESSAVG: 4826600 129.058 -64.5849 -22.8463 -64.9668 -27.3992 47.3992 -19.2621 45.0063 -54.1847 TIMING: 4826600 CPU: 14491.8, 0.00299583/step Wall: 14491.8, 0.00299583/step, 0.144299 hours remaining, 209.496094 MB of memory in use. ENERGY: 4826600 724.5578 2060.4692 1926.0064 106.0046 -206324.5374 17858.1046 0.0000 0.0000 34220.6794 -149428.7154 298.8577 -183649.3947 -149324.9394 299.1786 97.1047 133.5864 556565.4864 15.8537 15.8247 PRESSURE: 4826800 52.1771 -18.7083 -14.1885 -18.709 -115.659 22.152 -14.1889 22.15 -208.06 GPRESSURE: 4826800 88.8585 21.8874 -9.2076 26.988 -120.396 102.788 -62.1283 -72.359 -134.214 PRESSAVG: 4826800 48.8433 -27.7804 -37.9527 -27.7805 -31.4399 44.293 -37.9528 44.293 -25.3118 GPRESSAVG: 4826800 47.6841 -26.8371 -37.005 -27.2053 -30.2419 45.2534 -36.6378 44.7202 -25.4568 TIMING: 4826800 CPU: 14492.4, 0.00299604/step Wall: 14492.4, 0.00299604/step, 0.144143 hours remaining, 209.496094 MB of memory in use. ENERGY: 4826800 734.7097 2114.1522 1926.6791 105.6762 -205830.8615 17569.0459 0.0000 0.0000 33931.5246 -149449.0738 296.3324 -183380.5984 -149353.5306 298.6809 -90.5138 -55.2506 557327.0348 -2.6361 -2.6716 PRESSURE: 4827000 -56.6485 19.6961 -1.79925 19.6958 97.5072 80.9396 -1.79898 80.9406 236.517 GPRESSURE: 4827000 -30.9177 -52.7908 63.4502 95.1157 132.396 37.9095 -5.52097 101.454 283.109 PRESSAVG: 4827000 45.5708 -12.6935 -25.0494 -12.6934 -7.34875 3.47621 -25.0495 3.4762 20.9417 GPRESSAVG: 4827000 45.9013 -15.4767 -25.4606 -11.601 -6.99955 0.722289 -24.1462 5.09161 20.8554 TIMING: 4827000 CPU: 14493, 0.00298602/step Wall: 14493, 0.00298602/step, 0.143495 hours remaining, 209.640625 MB of memory in use. ENERGY: 4827000 757.7231 2093.8643 1926.7041 117.7362 -206799.7706 18089.9339 0.0000 0.0000 34147.4793 -149666.3298 298.2184 -183813.8091 -149569.3897 297.9619 92.4585 128.1955 557299.5035 19.7213 19.9191 PRESSURE: 4827200 -31.2107 -46.6016 4.72227 -46.6026 33.69 -166.528 4.72482 -166.528 275.435 GPRESSURE: 4827200 12.6211 -43.1673 66.2333 -10.1073 38.83 -178.336 -69.3372 -85.9159 322.949 PRESSAVG: 4827200 -34.1722 -2.19644 1.75937 -2.19654 -58.127 29.4737 1.75932 29.4738 66.7553 GPRESSAVG: 4827200 -35.5279 -3.75672 1.66968 -1.88741 -57.3097 31.5668 -1.8756 29.4022 67.3417 TIMING: 4827200 CPU: 14493.6, 0.00296733/step Wall: 14493.6, 0.00296733/step, 0.142432 hours remaining, 209.640625 MB of memory in use. ENERGY: 4827200 769.6395 2083.8861 1932.9374 109.7674 -206616.8789 17917.9782 0.0000 0.0000 34206.2104 -149596.4599 298.7313 -183802.6704 -149499.5803 298.3047 92.6381 124.8001 555905.8383 -8.5146 -8.4986 PRESSURE: 4827400 -179.867 83.4382 -16.3846 83.4375 -33.6284 19.0375 -16.3843 19.0353 -102.017 GPRESSURE: 4827400 -142.884 104.639 -99.9948 87.5432 30.9228 98.4837 -19.6489 -35.5052 -108.326 PRESSAVG: 4827400 63.6218 68.1616 -9.41072 68.1616 6.12977 23.3163 -9.41072 23.3163 -34.378 GPRESSAVG: 4827400 65.2521 70.5254 -10.066 65.5864 5.68201 24.5072 -8.15821 20.2691 -34.8207 TIMING: 4827400 CPU: 14494.2, 0.00297867/step Wall: 14494.2, 0.00297867/step, 0.142811 hours remaining, 209.640625 MB of memory in use. ENERGY: 4827400 723.7954 2062.9674 1952.0208 111.2832 -206223.9150 17753.6844 0.0000 0.0000 34257.3466 -149362.8174 299.1779 -183620.1640 -149259.6611 298.5704 -105.1709 -73.4293 558956.0111 11.7912 12.0378 PRESSURE: 4827600 115.795 -59.7847 207.277 -59.7848 77.1197 150.316 207.276 150.314 127.604 GPRESSURE: 4827600 168.556 -20.7619 208.916 -142.159 120.035 174.615 173.629 118.027 128.803 PRESSAVG: 4827600 -25.7634 1.11918 2.42015 1.11933 22.3792 36.2549 2.42013 36.2548 -33.4938 GPRESSAVG: 4827600 -25.9829 2.24555 2.21205 1.86404 21.5137 35.9374 3.51549 38.9562 -32.3441 TIMING: 4827600 CPU: 14494.8, 0.00297797/step Wall: 14494.8, 0.00297797/step, 0.142612 hours remaining, 209.640625 MB of memory in use. ENERGY: 4827600 741.7818 2077.3781 1924.6373 115.8396 -206738.1754 18148.1499 0.0000 0.0000 34211.7042 -149518.6846 298.7793 -183730.3888 -149417.0123 298.6964 106.8396 139.1312 558415.6098 -12.2927 -12.2711 PRESSURE: 4827800 -75.7353 -31.8532 105.144 -31.8532 1.25436 -94.2882 105.144 -94.2884 -44.5914 GPRESSURE: 4827800 -47.9917 -11.8986 44.3094 -21.9836 46.1141 -180.645 70.7921 -49.4224 -13.6849 PRESSAVG: 4827800 -18.0012 53.518 22.6203 53.518 48.9201 -16.9007 22.6203 -16.9008 -13.594 GPRESSAVG: 4827800 -17.9368 53.2918 21.2422 52.5578 48.9837 -15.7403 24.5503 -18.7004 -14.2417 TIMING: 4827800 CPU: 14495.4, 0.00296998/step Wall: 14495.4, 0.00296998/step, 0.142064 hours remaining, 209.640625 MB of memory in use. ENERGY: 4827800 695.4484 2042.5801 1954.0445 111.2126 -206749.3836 17862.6366 0.0000 0.0000 34393.0727 -149690.3887 300.3633 -184083.4613 -149597.8546 298.3303 -39.6908 -5.1875 558341.9880 5.7750 5.6017 PRESSURE: 4828000 -204.46 30.1742 -32.065 30.1734 -110.104 -102.15 -32.0652 -102.152 -390.683 GPRESSURE: 4828000 -202.596 37.9834 -9.4407 126.74 -79.0411 -133.468 -75.3614 -167.058 -332.365 PRESSAVG: 4828000 37.1825 5.32334 6.72197 5.32339 44.2125 -41.9301 6.7219 -41.9303 -41.421 GPRESSAVG: 4828000 36.1863 6.54031 9.84863 7.59893 43.944 -41.878 5.40459 -40.3924 -40.0962 TIMING: 4828000 CPU: 14496, 0.00296749/step Wall: 14496, 0.00296749/step, 0.14178 hours remaining, 209.640625 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: 4828000 755.1853 2077.9564 1921.4546 99.6488 -206182.4348 17665.9371 0.0000 0.0000 34024.9805 -149637.2721 297.1486 -183662.2526 -149543.6075 297.7938 -235.0823 -204.6673 559666.0761 13.3247 13.3447 PRESSURE: 4828200 -164.773 55.0438 20.8893 55.043 -119.619 162.035 20.8885 162.033 -21.3028 GPRESSURE: 4828200 -140.265 59.7415 80.9334 2.45728 -76.2754 143.063 4.98183 156.667 16.9129 PRESSAVG: 4828200 -1.39548 11.2744 -58.3682 11.2744 6.24493 -12.8428 -58.3682 -12.8427 -35.9631 GPRESSAVG: 4828200 -1.15041 7.84991 -59.1565 10.5284 7.16372 -14.387 -60.6771 -11.3862 -36.465 TIMING: 4828200 CPU: 14496.6, 0.00298828/step Wall: 14496.6, 0.00298828/step, 0.142607 hours remaining, 209.640625 MB of memory in use. ENERGY: 4828200 707.1956 2091.3587 1930.6142 96.6296 -206446.1386 17796.3681 0.0000 0.0000 34306.6923 -149517.2802 299.6089 -183823.9724 -149418.3173 298.7026 -101.8983 -66.5425 559161.9534 -10.3712 -10.1506 LDB: ============= START OF LOAD BALANCING ============== 14500.1 LDB: ============== END OF LOAD BALANCING =============== 14500.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14500.1 LDB: ============= START OF LOAD BALANCING ============== 14500.4 LDB: Largest compute 4774 load 0.027342 is 23.1% of average load 0.118328 LDB: Average compute 0.001711 is 1.4% of average load 0.118328 LDB: TIME 14500.4 LOAD: AVG 0.118328 MAX 0.212464 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.547 MB LDB: TIME 14500.4 LOAD: AVG 0.118328 MAX 0.212464 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.617 MB LDB: TIME 14500.4 LOAD: AVG 0.118328 MAX 0.212464 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.617 MB LDB: ============== END OF LOAD BALANCING =============== 14500.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14500.4 PRESSURE: 4828400 211.244 -8.10421 46.9412 -8.10541 14.9841 -112.946 46.9408 -112.946 32.7467 GPRESSURE: 4828400 200.172 2.48479 28.95 -16.1677 98.5291 -125.812 50.302 -126.847 60.9242 PRESSAVG: 4828400 -11.7247 25.3246 -20.8327 25.3246 65.9073 -4.03257 -20.8327 -4.03239 -54.0163 GPRESSAVG: 4828400 -11.8481 27.3945 -21.6622 25.2023 65.0668 -4.73243 -18.5703 -5.50823 -53.259 TIMING: 4828400 CPU: 14497.2, 0.0030192/step Wall: 14497.2, 0.0030192/step, 0.143915 hours remaining, 210.000000 MB of memory in use. ENERGY: 4828400 746.8772 2068.4091 1932.2839 112.9352 -206743.3716 18111.1578 0.0000 0.0000 34171.4705 -149600.2378 298.4280 -183771.7083 -149504.4186 298.3502 86.3248 119.8750 556316.0656 0.0554 -0.0135 PRESSURE: 4828600 118.281 -1.7068 -126.287 -1.70838 -21.0406 233.816 -126.286 233.815 -80.0483 GPRESSURE: 4828600 97.3532 -7.07685 -168.175 9.85435 22.3965 213.441 -27.0868 256.767 -7.80651 PRESSAVG: 4828600 -38.6406 37.9764 30.4613 37.9764 15.0206 15.4294 30.4614 15.4295 -11.8797 GPRESSAVG: 4828600 -38.729 37.9411 30.1627 37.1398 14.5605 17.2931 30.6839 16.0707 -11.3963 TIMING: 4828600 CPU: 14497.8, 0.00298772/step Wall: 14497.8, 0.00298772/step, 0.142249 hours remaining, 210.144531 MB of memory in use. ENERGY: 4828600 751.7919 2003.4207 1942.7519 101.8677 -206339.9708 17836.1837 0.0000 0.0000 34169.3855 -149534.5694 298.4097 -183703.9549 -149438.6351 298.6325 5.7307 37.3144 557817.7460 -11.8332 -11.8549 PRESSURE: 4828800 -107.586 160.4 -205.663 160.4 -35.6595 -82.4155 -205.661 -82.4167 -201.111 GPRESSURE: 4828800 -68.6675 101.108 -135.927 150.348 48.6723 -148.279 -191.124 -96.6511 -225.351 PRESSAVG: 4828800 46.0746 -2.85232 -19.7019 -2.85241 53.6492 -1.49214 -19.7019 -1.49205 -61.245 GPRESSAVG: 4828800 47.1853 -1.02309 -18.6519 -4.68537 54.3661 -0.724583 -20.4761 -2.53758 -62.3694 TIMING: 4828800 CPU: 14498.4, 0.00298987/step Wall: 14498.4, 0.00298987/step, 0.142185 hours remaining, 210.144531 MB of memory in use. ENERGY: 4828800 764.4363 2055.0899 1941.9890 114.5453 -206086.6847 17752.6505 0.0000 0.0000 33876.6809 -149581.2928 295.8535 -183457.9737 -149485.3979 297.5974 -114.7854 -81.7819 558900.8707 12.8263 13.0606 PRESSURE: 4829000 45.1666 -180.816 94.3794 -180.815 -161.748 88.1579 94.379 88.1587 -120.333 GPRESSURE: 4829000 55.4233 -112.753 60.1182 -136.331 -113.466 164.861 95.2114 30.1335 -83.9553 PRESSAVG: 4829000 68.6771 -67.5329 0.497395 -67.5328 -3.76682 42.4265 0.497324 42.4266 -89.7134 GPRESSAVG: 4829000 67.5819 -69.3467 -0.188057 -65.6927 -3.84911 41.9962 1.40166 41.9706 -88.4258 TIMING: 4829000 CPU: 14499, 0.00301064/step Wall: 14499, 0.00301064/step, 0.143005 hours remaining, 210.144531 MB of memory in use. ENERGY: 4829000 714.5515 2006.3467 1940.0429 105.2952 -205984.0928 17690.0524 0.0000 0.0000 34037.3047 -149490.4994 297.2562 -183527.8041 -149396.4499 297.4062 -78.9716 -47.3325 557148.1899 -8.2677 -8.2310 PRESSURE: 4829200 -104.549 -145.356 135.438 -145.358 -297.315 88.0221 135.437 88.0232 -184.369 GPRESSURE: 4829200 -61.9124 -175.481 138.245 -55.7724 -241.861 126.097 146.582 68.1052 -168.087 PRESSAVG: 4829200 4.74774 -14.9648 23.7848 -14.9649 43.0002 50.4035 23.7848 50.4035 0.480637 GPRESSAVG: 4829200 6.048 -15.4062 24.7855 -13.3079 42.8194 49.1254 22.4246 50.2741 -0.0941842 TIMING: 4829200 CPU: 14499.6, 0.00299374/step Wall: 14499.6, 0.00299374/step, 0.142036 hours remaining, 210.144531 MB of memory in use. ENERGY: 4829200 734.3803 2058.0356 1923.8882 98.1309 -206231.5891 17576.2226 0.0000 0.0000 34353.3076 -149487.6240 300.0160 -183840.9316 -149395.0383 298.6178 -195.4110 -157.2871 557077.7212 16.0762 16.2577 PRESSURE: 4829400 -142.518 -30.2409 -23.462 -30.2416 -160.446 102.159 -23.4615 102.159 -193.139 GPRESSURE: 4829400 -67.8588 5.84416 -56.1001 -58.8182 -179.615 129.836 -25.9805 -12.3605 -158.601 PRESSAVG: 4829400 51.6453 -23.4483 -33.8074 -23.4484 -37.1817 10.7853 -33.8074 10.7855 8.94736 GPRESSAVG: 4829400 50.814 -21.865 -34.2984 -25.8206 -35.9197 11.4244 -32.989 10.8455 8.7344 TIMING: 4829400 CPU: 14500.2, 0.00303551/step Wall: 14500.2, 0.00303551/step, 0.14385 hours remaining, 210.144531 MB of memory in use. ENERGY: 4829400 732.2785 2055.6364 1922.9483 105.0159 -206318.9424 17660.8548 0.0000 0.0000 34292.5335 -149549.6749 299.4852 -183842.2084 -149450.4030 299.1525 -165.3676 -135.3582 556452.1173 7.8037 7.8763 PRESSURE: 4829600 -266.629 245.688 85.5158 245.688 -42.4019 30.6279 85.515 30.629 147.322 GPRESSURE: 4829600 -276.02 261.593 87.2391 270.949 56.3578 61.6485 15.3391 31.178 137.165 PRESSAVG: 4829600 62.1093 26.8674 -20.7832 26.8673 -41.1001 -21.5358 -20.7832 -21.5358 -9.2988 GPRESSAVG: 4829600 62.4097 25.5729 -19.748 28.3985 -41.6196 -23.0672 -22.3269 -20.6482 -9.51263 TIMING: 4829600 CPU: 14500.8, 0.0030163/step Wall: 14500.8, 0.0030163/step, 0.142772 hours remaining, 210.144531 MB of memory in use. ENERGY: 4829600 690.8857 2048.2248 1926.2137 105.3423 -206052.2926 17605.8708 0.0000 0.0000 34245.3801 -149430.3752 299.0734 -183675.7553 -149329.4802 298.2709 -53.9030 -27.4991 555730.0835 3.9035 3.7592 PRESSURE: 4829800 33.0002 113.2 114.679 113.199 -62.9996 -35.2883 114.678 -35.2872 326.261 GPRESSURE: 4829800 77.468 97.1107 97.4496 59.3789 -53.4161 -49.683 67.191 33.5327 374.962 PRESSAVG: 4829800 -6.79229 96.6696 17.661 96.6696 -14.2314 50.3866 17.661 50.3865 -25.2883 GPRESSAVG: 4829800 -6.80387 95.6797 15.3711 96.444 -14.7839 50.1975 17.9712 49.9767 -24.6388 TIMING: 4829800 CPU: 14501.4, 0.0029541/step Wall: 14501.4, 0.0029541/step, 0.139663 hours remaining, 210.144531 MB of memory in use. ENERGY: 4829800 708.2318 2053.1616 1946.2178 106.8435 -206394.9712 17926.4173 0.0000 0.0000 34140.4960 -149513.6031 298.1574 -183654.0991 -149420.5572 298.7028 98.7539 133.0047 556550.8673 -15.4373 -15.4088 PRESSURE: 4830000 -145.357 229.125 114.15 229.125 114.214 -199.483 114.149 -199.482 -101.811 GPRESSURE: 4830000 -132.711 214.21 184.73 262.61 116.565 -252.036 14.8855 -171.278 -24.6223 PRESSAVG: 4830000 -34.2876 64.1233 -14.9434 64.1235 15.0411 15.699 -14.9434 15.6992 40.5407 GPRESSAVG: 4830000 -35.0282 66.8579 -14.391 62.1043 16.2834 15.6242 -14.3272 15.0495 40.3353 TIMING: 4830000 CPU: 14502, 0.00295908/step Wall: 14502, 0.00295908/step, 0.139734 hours remaining, 210.277344 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: 4830000 722.7988 2084.3319 1920.2360 119.0425 -206424.3729 17740.5365 0.0000 0.0000 34186.8428 -149650.5845 298.5622 -183837.4273 -149557.1247 298.6970 -44.3184 -13.5894 556443.1108 7.0981 7.1969 PRESSURE: 4830200 -110.99 27.609 -71.5328 27.6087 -134.655 23.7139 -71.5338 23.7147 -124.675 GPRESSURE: 4830200 -74.1969 88.7016 -33.8965 51.0796 -66.1635 -5.31754 -126.697 15.0193 -137.754 PRESSAVG: 4830200 -15.1724 -4.40413 -23.8987 -4.40419 38.936 4.02098 -23.8988 4.02098 7.80851 GPRESSAVG: 4830200 -14.8403 -5.20958 -21.4506 -3.37303 39.7145 4.22844 -25.1295 3.7795 7.17386 TIMING: 4830200 CPU: 14502.6, 0.00299581/step Wall: 14502.6, 0.00299581/step, 0.141302 hours remaining, 210.277344 MB of memory in use. ENERGY: 4830200 762.2251 2091.6686 1929.4489 104.8553 -206136.2537 17555.8153 0.0000 0.0000 34126.4137 -149565.8267 298.0345 -183692.2404 -149471.7942 298.3056 -123.4400 -92.7047 555109.8826 10.5240 10.6827 PRESSURE: 4830400 22.2256 136.852 31.3725 136.853 232.551 -80.8878 31.3733 -80.8867 -50.7605 GPRESSURE: 4830400 125.386 105.535 50.1838 181.022 225.372 -18.5129 39.4272 -41.4666 -46.3062 PRESSAVG: 4830400 19.752 16.1067 -6.6143 16.1068 47.6746 -17.1181 -6.61433 -17.1181 -84.9625 GPRESSAVG: 4830400 19.9013 13.7175 -8.6768 18.1067 46.6915 -19.0609 -4.7404 -16.2902 -84.5711 TIMING: 4830400 CPU: 14503.2, 0.00298085/step Wall: 14503.2, 0.00298085/step, 0.140431 hours remaining, 210.277344 MB of memory in use. ENERGY: 4830400 750.0020 2106.1837 1940.9964 111.2531 -206246.0908 17843.9540 0.0000 0.0000 34146.3663 -149347.3354 298.2087 -183493.7017 -149254.6481 298.9960 68.0055 101.4839 556254.1079 -5.8453 -5.9928 PRESSURE: 4830600 133.005 -115.878 -43.7208 -115.877 -43.4394 285.912 -43.7212 285.912 168.839 GPRESSURE: 4830600 191.256 -76.7372 12.2151 -138.645 -30.8945 340.167 -136.778 180.077 189.344 PRESSAVG: 4830600 62.0822 12.6188 50.219 12.6187 -58.876 -23.4048 50.219 -23.4047 -26.1042 GPRESSAVG: 4830600 62.3496 12.8884 51.0406 10.8643 -59.8087 -20.2608 49.2901 -23.9016 -25.4941 TIMING: 4830600 CPU: 14503.8, 0.00299338/step Wall: 14503.8, 0.00299338/step, 0.140855 hours remaining, 210.277344 MB of memory in use. ENERGY: 4830600 750.9728 2099.8527 1908.3376 107.3839 -206607.8303 18024.7395 0.0000 0.0000 34141.7000 -149574.8438 298.1680 -183716.5438 -149479.1260 298.5879 86.1348 116.5684 556878.4541 -7.6327 -7.6511 PRESSURE: 4830800 285.216 54.5097 -172.419 54.5084 90.6073 -63.8778 -172.419 -63.877 144.778 GPRESSURE: 4830800 272.485 -21.0408 -82.6758 93.355 182.04 -33.4581 -141.311 -142.573 147.519 PRESSAVG: 4830800 48.6769 -37.2521 12.8506 -37.2521 -12.0016 -16.2483 12.8505 -16.2483 -68.442 GPRESSAVG: 4830800 48.0631 -36.6317 11.6002 -35.6411 -9.58382 -18.0273 15.295 -15.0801 -69.5904 TIMING: 4830800 CPU: 14504.4, 0.00300979/step Wall: 14504.4, 0.00300979/step, 0.14146 hours remaining, 210.277344 MB of memory in use. ENERGY: 4830800 725.5909 2068.9366 1913.3191 111.4130 -206608.8336 18055.1321 0.0000 0.0000 34298.4625 -149435.9794 299.5370 -183734.4419 -149337.5531 298.4711 173.5335 200.6814 557520.5309 -10.5889 -10.3703 PRESSURE: 4831000 134.397 82.006 -102.533 82.005 -260.973 45.4613 -102.534 45.4625 12.9139 GPRESSURE: 4831000 32.8062 53.8421 -177.025 108.168 -146.156 -21.9193 -71.7163 91.3739 90.773 PRESSAVG: 4831000 48.6344 -8.00349 32.5662 -8.00348 -28.4889 -13.286 32.5662 -13.2859 -33.1529 GPRESSAVG: 4831000 48.914 -8.37193 31.5099 -8.57782 -29.697 -13.3109 31.5969 -13.8887 -31.9895 TIMING: 4831000 CPU: 14505, 0.00296798/step Wall: 14505, 0.00296798/step, 0.13933 hours remaining, 210.277344 MB of memory in use. ENERGY: 4831000 733.3354 2036.8924 1936.1623 112.8675 -206373.9846 17853.7372 0.0000 0.0000 34155.2546 -149545.7351 298.2863 -183700.9897 -149448.5619 298.5878 -37.8874 -7.5256 558003.1841 -4.3358 -4.2575 PRESSURE: 4831200 93.4822 -125.343 14.6293 -125.342 -94.9474 86.1046 14.6305 86.1052 -181.95 GPRESSURE: 4831200 138.568 -118.757 65.3472 -76.4592 -68.6768 174.668 -52.1401 39.3201 -161.279 PRESSAVG: 4831200 29.8077 -23.0733 19.8465 -23.0732 -14.3063 35.1369 19.8465 35.1369 -25.2817 GPRESSAVG: 4831200 30.4468 -25.6705 22.9324 -20.1708 -14.1566 35.0965 18.2758 36.0948 -26.28 TIMING: 4831200 CPU: 14505.6, 0.00298088/step Wall: 14505.6, 0.00298088/step, 0.13977 hours remaining, 210.277344 MB of memory in use. ENERGY: 4831200 769.8964 2109.1743 1931.8279 105.8495 -206369.8469 17814.6714 0.0000 0.0000 34160.0489 -149478.3785 298.3282 -183638.4274 -149381.2774 298.4833 -61.1384 -30.4627 557654.3759 -3.2601 -3.3299 PRESSURE: 4831400 14.9045 -79.0773 201.931 -79.0763 -67.1985 74.1775 201.931 74.1786 170.272 GPRESSURE: 4831400 122.431 -67.0656 179.826 -48.259 0.866482 24.1363 134.985 193.907 94.7474 PRESSAVG: 4831400 32.2725 -46.9494 47.2206 -46.9494 -78.6439 27.8609 47.2207 27.8609 28.673 GPRESSAVG: 4831400 32.5903 -43.561 47.6927 -51.0641 -78.157 28.6992 48.7271 28.0557 28.1796 TIMING: 4831400 CPU: 14506.2, 0.00297191/step Wall: 14506.2, 0.00297191/step, 0.139184 hours remaining, 210.277344 MB of memory in use. ENERGY: 4831400 765.6250 2091.8799 1943.5156 115.2180 -206384.5078 17902.9729 0.0000 0.0000 34113.7155 -149451.5809 297.9236 -183565.2964 -149363.1941 298.8679 39.3260 72.6816 556856.4771 -5.8995 -5.7957 PRESSURE: 4831600 -419.709 53.698 40.4009 53.6982 -210.151 -39.135 40.4012 -39.1332 -397.561 GPRESSURE: 4831600 -385.209 77.7158 113.773 16.8579 -202.343 -9.31209 -36.2343 -100.271 -344.874 PRESSAVG: 4831600 6.58842 -75.9685 25.9204 -75.9685 -52.1692 40.9701 25.9204 40.9699 43.8104 GPRESSAVG: 4831600 7.02501 -78.0911 23.9494 -75.6928 -51.9556 39.5775 24.9448 41.8308 43.2976 TIMING: 4831600 CPU: 14506.8, 0.00297917/step Wall: 14506.8, 0.00297917/step, 0.139359 hours remaining, 210.277344 MB of memory in use. ENERGY: 4831600 751.2100 1997.7470 1942.4220 109.6494 -206273.6865 17455.5064 0.0000 0.0000 34232.2117 -149784.9400 298.9584 -184017.1518 -149680.2695 298.1304 -342.4733 -310.8087 557888.5608 -0.5901 -0.5443 PRESSURE: 4831800 157.899 -189.9 46.7316 -189.9 31.9931 229.149 46.7318 229.149 356.5 GPRESSURE: 4831800 191.712 -167.544 69.0285 -128.134 99.4712 187.769 84.5171 138.157 358.638 PRESSAVG: 4831800 -6.52381 -21.0341 49.4013 -21.0341 -25.3394 62.1118 49.4012 62.1119 35.8259 GPRESSAVG: 4831800 -7.49835 -18.5083 50.302 -20.5931 -24.9378 61.912 49.815 62.7911 35.9057 TIMING: 4831800 CPU: 14507.4, 0.00302258/step Wall: 14507.4, 0.00302258/step, 0.141222 hours remaining, 210.277344 MB of memory in use. ENERGY: 4831800 790.5234 2129.6919 1937.8463 108.6194 -207548.6243 18384.4276 0.0000 0.0000 34422.9059 -149774.6099 300.6238 -184197.5158 -149670.7608 298.3419 182.1306 216.6070 555104.2382 1.3209 1.1565 PRESSURE: 4832000 127.343 -29.1723 51.6552 -29.1726 -290.539 3.66537 51.6545 3.66696 189.36 GPRESSURE: 4832000 198.072 -112.166 62.7162 -64.9724 -250.976 -112.352 61.6043 -41.1071 181.454 PRESSAVG: 4832000 39.0015 25.2628 20.2598 25.2628 -33.8199 29.8318 20.2598 29.8318 -17.651 GPRESSAVG: 4832000 39.0897 23.6995 17.6973 25.8657 -34.2292 32.8137 22.3748 26.3771 -16.9188 TIMING: 4832000 CPU: 14508, 0.00300748/step Wall: 14508, 0.00300748/step, 0.140349 hours remaining, 210.277344 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: 4832000 709.5305 2110.0493 1906.8127 102.0741 -206782.9123 17954.9514 0.0000 0.0000 34293.1490 -149706.3453 299.4906 -183999.4943 -149605.2723 298.3566 8.7215 42.8499 557644.2588 -4.1565 -4.0194 PRESSURE: 4832200 57.712 89.2636 17.4683 89.2617 62.0737 -149.702 17.4678 -149.703 88.431 GPRESSURE: 4832200 112.463 83.939 18.3625 161.759 62.7253 -148.895 -3.3823 -137.403 121.825 PRESSAVG: 4832200 -16.1293 45.2991 31.1304 45.2992 1.90731 8.05167 31.1304 8.05152 19.5054 GPRESSAVG: 4832200 -16.5633 46.2842 33.9448 41.9529 2.35418 7.54693 27.7877 11.6693 19.545 TIMING: 4832200 CPU: 14508.6, 0.00300723/step Wall: 14508.6, 0.00300723/step, 0.14017 hours remaining, 210.277344 MB of memory in use. ENERGY: 4832200 756.2362 2037.9194 1924.9308 117.4519 -206555.2426 18033.5142 0.0000 0.0000 34064.2974 -149620.8926 297.4920 -183685.1900 -149528.5844 298.6272 69.4055 99.0045 557204.2392 1.7611 1.7786 LDB: ============= START OF LOAD BALANCING ============== 14512.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14512.1 LDB: =============== DONE WITH MIGRATION ================ 14512.1 LDB: ============= START OF LOAD BALANCING ============== 14512.4 LDB: Largest compute 4774 load 0.027057 is 22.9% of average load 0.118322 LDB: Average compute 0.001711 is 1.4% of average load 0.118322 LDB: TIME 14512.4 LOAD: AVG 0.118322 MAX 0.213989 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.262 MB LDB: TIME 14512.4 LOAD: AVG 0.118322 MAX 0.213989 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.262 MB LDB: TIME 14512.4 LOAD: AVG 0.118322 MAX 0.213989 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.262 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14512.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14512.4 PRESSURE: 4832400 35.3969 49.1758 -29.9909 49.1748 183.719 -1.89189 -29.9899 -1.89159 6.17768 GPRESSURE: 4832400 -1.81023 99.7211 45.0714 51.9674 268.126 5.39251 -45.5633 82.772 48.0771 PRESSAVG: 4832400 -22.2884 33.0532 -23.1991 33.0533 0.0124228 -58.9093 -23.1992 -58.9094 70.8517 GPRESSAVG: 4832400 -21.9756 33.6027 -24.2609 34.6876 -0.0778938 -59.1021 -19.9904 -60.1498 70.9096 TIMING: 4832400 CPU: 14509.2, 0.00302703/step Wall: 14509.2, 0.00302703/step, 0.140925 hours remaining, 210.289062 MB of memory in use. ENERGY: 4832400 740.1916 2103.0368 1967.6343 115.5656 -206794.3323 17999.1535 0.0000 0.0000 34352.5243 -149516.2262 300.0091 -183868.7505 -149420.3200 298.6411 75.0980 104.7975 557266.8077 16.1919 16.2854 PRESSURE: 4832600 20.6998 -16.3343 59.634 -16.3345 22.63 123.776 59.6324 123.776 -5.71598 GPRESSURE: 4832600 104.26 9.05468 123.794 -96.0869 41.4166 105.522 -7.82439 91.014 -0.488374 PRESSAVG: 4832600 -47.3876 53.9189 66.7047 53.9188 68.3351 24.5028 66.7047 24.5028 -46.9845 GPRESSAVG: 4832600 -48.2925 52.3192 67.4398 55.1958 69.1205 23.6158 63.6515 23.5008 -46.4074 TIMING: 4832600 CPU: 14509.8, 0.0029804/step Wall: 14509.8, 0.0029804/step, 0.138589 hours remaining, 210.300781 MB of memory in use. ENERGY: 4832600 718.6898 2065.7207 1941.4319 110.8218 -206765.1271 18021.3799 0.0000 0.0000 34287.4603 -149619.6227 299.4409 -183907.0830 -149518.9812 298.6417 12.5379 48.3960 556296.6529 -8.6790 -8.5265 PRESSURE: 4832800 116.899 -40.5185 -86.8835 -40.5177 -85.8504 3.93986 -86.8847 3.93933 -199.805 GPRESSURE: 4832800 122.135 58.2022 -63.4992 -66.4872 -65.6738 66.7095 -61.3923 -1.0688 -127.913 PRESSAVG: 4832800 -6.02084 -18.7646 79.3905 -18.7646 74.1397 -89.8021 79.3905 -89.802 -84.1779 GPRESSAVG: 4832800 -4.92069 -16.8419 77.1423 -19.3146 72.6145 -89.7987 81.9263 -89.5653 -83.5138 TIMING: 4832800 CPU: 14510.4, 0.00302729/step Wall: 14510.4, 0.00302729/step, 0.140601 hours remaining, 210.300781 MB of memory in use. ENERGY: 4832800 758.7305 2063.8169 1927.2106 107.7226 -206490.6152 17853.1777 0.0000 0.0000 34223.6994 -149556.2574 298.8841 -183779.9569 -149457.9477 298.2338 -56.2520 -23.8172 557390.7572 -5.3530 -5.2733 PRESSURE: 4833000 -111.855 103.427 -91.6539 103.427 -174.904 55.011 -91.6533 55.0091 -62.3695 GPRESSURE: 4833000 -29.7411 76.63 -84.4147 86.195 -207.748 54.6418 -38.7764 80.4675 -19.3889 PRESSAVG: 4833000 -11.514 1.51082 37.8651 1.51081 115.436 -5.88172 37.8651 -5.88178 -93.1788 GPRESSAVG: 4833000 -11.7257 0.796972 38.2312 0.435105 116.252 -6.10843 37.7048 -5.41877 -93.4347 TIMING: 4833000 CPU: 14511, 0.00301348/step Wall: 14511, 0.00301348/step, 0.139792 hours remaining, 210.347656 MB of memory in use. ENERGY: 4833000 729.3080 2118.9887 1940.0141 121.7962 -205929.6086 17650.2053 0.0000 0.0000 34015.6014 -149353.6948 297.0667 -183369.2962 -149257.6159 298.7421 -116.3761 -85.6259 558647.6773 3.5810 3.6973 PRESSURE: 4833200 -49.4974 -9.90394 -92.7073 -9.9032 -19.4618 91.5781 -92.7072 91.578 32.469 GPRESSURE: 4833200 2.95429 -41.4816 -37.3028 30.582 58.1083 33.1119 -157.258 143.77 2.25886 PRESSAVG: 4833200 -17.9327 56.3194 17.9132 56.3194 -5.83304 -5.75225 17.9132 -5.75218 36.3821 GPRESSAVG: 4833200 -18.4857 54.4816 19.8087 58.152 -5.41499 -4.8993 16.039 -5.44494 36.1137 TIMING: 4833200 CPU: 14511.6, 0.00300813/step Wall: 14511.6, 0.00300813/step, 0.139377 hours remaining, 210.347656 MB of memory in use. ENERGY: 4833200 773.8149 2077.6062 1970.6791 110.4288 -206598.7561 18043.4083 0.0000 0.0000 34350.5874 -149272.2314 299.9922 -183622.8188 -149174.4452 299.4240 -12.1634 21.1071 558378.3877 4.2055 4.0710 PRESSURE: 4833400 79.7262 22.0312 -38.4435 22.0308 169.473 179.282 -38.4434 179.282 98.0299 GPRESSURE: 4833400 42.7778 -1.15934 12.6413 5.13458 192.912 211.852 -123.974 176.299 191.849 PRESSAVG: 4833400 -73.8134 21.0776 -30.5161 21.0776 36.6162 -6.13714 -30.5161 -6.13718 57.1289 GPRESSAVG: 4833400 -73.3838 22.5353 -32.7775 19.8496 36.9068 -7.32198 -28.4028 -6.20565 56.6043 TIMING: 4833400 CPU: 14512.2, 0.00301777/step Wall: 14512.2, 0.00301777/step, 0.139656 hours remaining, 210.347656 MB of memory in use. ENERGY: 4833400 730.3709 2092.4436 1934.7522 101.1451 -206373.1499 18079.3455 0.0000 0.0000 34130.6411 -149304.4515 298.0714 -183435.0926 -149213.1099 298.7432 115.7430 142.5129 557963.0210 6.6439 6.7091 PRESSURE: 4833600 33.8841 -75.1803 -12.1111 -75.1783 -127.726 12.3981 -12.1122 12.3987 122.401 GPRESSURE: 4833600 47.5671 -57.0937 -7.76453 -43.6546 -104.74 -34.8693 31.4943 39.7568 173.231 PRESSAVG: 4833600 13.9107 -40.9247 -23.9035 -40.9247 -11.6501 7.53589 -23.9035 7.53581 15.2507 GPRESSAVG: 4833600 11.7676 -39.5686 -21.9551 -40.969 -10.8623 8.88274 -24.52 5.4736 16.2159 TIMING: 4833600 CPU: 14512.8, 0.00301952/step Wall: 14512.8, 0.00301952/step, 0.139569 hours remaining, 210.347656 MB of memory in use. ENERGY: 4833600 764.5007 2082.8497 1936.8850 110.9211 -206135.2353 17824.4477 0.0000 0.0000 34094.4114 -149321.2196 297.7550 -183415.6311 -149225.0272 298.8882 9.5194 38.6861 558068.3101 5.8371 5.7071 PRESSURE: 4833800 80.4741 4.50456 -15.5011 4.504 -359.632 5.65828 -15.5021 5.65793 -160.495 GPRESSURE: 4833800 108.848 -8.45977 16.8345 102.943 -297.51 -32.7399 15.8002 -0.914642 -154.774 PRESSAVG: 4833800 51.7109 31.1271 28.2519 31.1269 11.5166 -35.5174 28.2519 -35.5174 -19.7361 GPRESSAVG: 4833800 52.4427 30.2384 28.7281 34.2263 11.005 -37.838 30.2925 -31.6928 -19.9972 TIMING: 4833800 CPU: 14513.4, 0.00302373/step Wall: 14513.4, 0.00302373/step, 0.139595 hours remaining, 210.347656 MB of memory in use. ENERGY: 4833800 752.6828 2102.8570 1930.3947 114.6468 -206179.0693 17654.8206 0.0000 0.0000 34344.0189 -149279.6484 299.9349 -183623.6673 -149181.2681 299.2148 -146.5509 -114.4787 557519.0651 14.4972 14.4835 PRESSURE: 4834000 65.1274 -4.12422 -42.3391 -4.12256 35.5786 30.8717 -42.3383 30.8723 -150.352 GPRESSURE: 4834000 99.1862 -7.88483 51.2484 7.21707 77.0496 59.6414 -84.1134 72.1768 -138.08 PRESSAVG: 4834000 -35.0669 24.1087 -32.4433 24.1087 -15.7476 -35.4163 -32.4433 -35.4163 20.848 GPRESSAVG: 4834000 -35.0285 23.1486 -31.0052 22.1711 -15.8253 -33.5901 -37.0404 -37.7224 20.781 TIMING: 4834000 CPU: 14514, 0.00303007/step Wall: 14514, 0.00303007/step, 0.13972 hours remaining, 210.347656 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: 4834000 736.3949 2091.0822 1927.0718 111.7648 -206327.1507 17838.7805 0.0000 0.0000 34235.8683 -149386.1882 298.9904 -183622.0566 -149287.0414 299.5112 -16.5487 12.7187 557566.9181 -9.9888 -10.0242 PRESSURE: 4834200 63.8055 93.2898 25.7429 93.2893 -8.70606 16.8714 25.7437 16.8713 165.884 GPRESSURE: 4834200 93.592 36.084 22.232 162.82 31.8162 150.205 -36.0237 -58.9255 196.413 PRESSAVG: 4834200 15.1925 24.085 19.1914 24.085 59.966 -29.8616 19.1914 -29.8617 -13.4796 GPRESSAVG: 4834200 14.6327 24.1299 17.4376 24.9008 59.4663 -29.6166 19.4199 -30.7019 -12.0653 TIMING: 4834200 CPU: 14514.6, 0.00302011/step Wall: 14514.6, 0.00302011/step, 0.139093 hours remaining, 210.347656 MB of memory in use. ENERGY: 4834200 749.3331 2087.6407 1938.3975 113.1625 -206126.0402 17789.8875 0.0000 0.0000 34269.4885 -149178.1304 299.2840 -183447.6189 -149087.0825 299.1468 73.6612 107.2736 556958.6875 20.5597 20.6779 PRESSURE: 4834400 226.351 18.2846 -20.806 18.285 227.568 -2.81055 -20.8057 -2.8111 -173.629 GPRESSURE: 4834400 268.387 12.697 -56.0519 52.578 283.622 -35.3882 -5.63027 30.9912 -185.372 PRESSAVG: 4834400 52.3932 27.9914 69.961 27.9914 -3.18878 -40.6233 69.961 -40.6233 -58.1354 GPRESSAVG: 4834400 53.1509 29.3175 67.8268 26.1505 -1.94075 -41.2335 73.4713 -41.022 -59.8667 TIMING: 4834400 CPU: 14515.2, 0.00298677/step Wall: 14515.2, 0.00298677/step, 0.137391 hours remaining, 210.347656 MB of memory in use. ENERGY: 4834400 733.7800 2138.4624 1972.8496 117.3536 -206461.0067 17931.2561 0.0000 0.0000 34387.9178 -149179.3873 300.3182 -183567.3051 -149080.7440 299.3455 93.4297 122.2123 555172.3842 -2.9770 -2.8855 PRESSURE: 4834600 -143.405 77.7657 15.8066 77.766 54.0201 -22.0523 15.8072 -22.051 -305.812 GPRESSURE: 4834600 -86.3181 55.9042 19.8166 56.2193 104.959 11.6287 17.3509 -129.885 -318.866 PRESSAVG: 4834600 -43.9733 -16.5884 49.3241 -16.5883 50.2284 -39.16 49.3241 -39.1601 -6.4861 GPRESSAVG: 4834600 -43.9562 -17.275 50.7986 -15.4405 49.5911 -40.8808 48.8451 -36.6013 -5.52213 TIMING: 4834600 CPU: 14515.8, 0.00300151/step Wall: 14515.8, 0.00300151/step, 0.137903 hours remaining, 210.347656 MB of memory in use. ENERGY: 4834600 722.5896 2145.3516 1943.2542 125.1754 -206033.1569 17523.2538 0.0000 0.0000 34241.9090 -149331.6234 299.0431 -183573.5324 -149235.6716 299.3170 -131.7325 -100.0750 556568.7839 -0.0770 0.0376 PRESSURE: 4834800 -41.2679 125.262 -69.185 125.264 14.6801 -32.575 -69.1847 -32.575 -73.885 GPRESSURE: 4834800 53.2534 83.0014 -19.1473 87.572 38.7468 -5.22366 -56.2256 -21.0796 -91.1392 PRESSAVG: 4834800 -50.5499 33.0664 -24.5436 33.0664 81.3849 -31.1802 -24.5436 -31.1802 -9.23566 GPRESSAVG: 4834800 -50.0158 34.1875 -25.0574 32.5173 81.6196 -29.9818 -25.7058 -33.6536 -9.60431 TIMING: 4834800 CPU: 14516.4, 0.00302968/step Wall: 14516.4, 0.00302968/step, 0.139029 hours remaining, 210.347656 MB of memory in use. ENERGY: 4834800 719.0969 2112.8056 1959.8110 111.0987 -206229.3123 17821.4691 0.0000 0.0000 34144.9149 -149360.1160 298.1960 -183505.0309 -149265.0494 299.3010 -33.4909 0.2870 557523.9663 7.1998 7.3332 PRESSURE: 4835000 -101.284 134.389 88.2032 134.389 -72.9282 -143.928 88.204 -143.928 173.408 GPRESSURE: 4835000 -32.0516 44.5584 135.329 155.868 -12.0461 -129.579 110.565 -106.128 133.283 PRESSAVG: 4835000 10.3069 52.5422 -7.73914 52.5422 -4.37288 -45.148 -7.7392 -45.148 -19.8954 GPRESSAVG: 4835000 10.4733 50.9006 -5.94226 53.5775 -5.13368 -42.754 -8.90863 -45.9839 -19.3348 TIMING: 4835000 CPU: 14517, 0.00303912/step Wall: 14517, 0.00303912/step, 0.139293 hours remaining, 210.347656 MB of memory in use. ENERGY: 4835000 735.5586 2068.0620 1938.9175 123.8119 -206260.5224 17753.3703 0.0000 0.0000 34164.8905 -149475.9116 298.3705 -183640.8021 -149379.8251 298.3187 -0.2682 29.7285 557030.3832 -4.6538 -4.6651 PRESSURE: 4835200 -93.2183 -130.137 -66.9665 -130.137 -377.861 -35.1303 -66.9656 -35.1308 -157.772 GPRESSURE: 4835200 -50.3985 -142.176 -83.9099 -56.7767 -294.001 2.20435 -80.3829 -44.2479 -189.009 PRESSAVG: 4835200 -72.5047 -27.3741 -5.99686 -27.3741 63.0443 32.6202 -5.99685 32.6202 16.2152 GPRESSAVG: 4835200 -73.7254 -27.288 -6.1243 -27.723 63.8999 30.4434 -4.36346 34.3652 16.2861 TIMING: 4835200 CPU: 14517.7, 0.00306555/step Wall: 14517.7, 0.00306555/step, 0.140334 hours remaining, 210.347656 MB of memory in use. ENERGY: 4835200 743.2821 2114.4064 1941.4170 109.1393 -206222.8019 17690.0614 0.0000 0.0000 34402.9323 -149221.5633 300.4494 -183624.4956 -149129.9333 298.4978 -209.6173 -177.8029 558884.8615 2.2516 2.1535 PRESSURE: 4835400 -88.482 -121.684 18.9363 -121.685 281.223 -131.128 18.9373 -131.13 23.4167 GPRESSURE: 4835400 -51.0294 -84.3482 0.746565 -143.185 321.542 -145.935 55.3627 -173.836 51.8284 PRESSAVG: 4835400 2.30401 17.1299 -26.5357 17.13 39.0962 25.1099 -26.5358 25.1099 5.71977 GPRESSAVG: 4835400 2.85643 16.8543 -25.9395 17.2275 38.1734 24.8311 -27.3518 24.6005 5.73976 TIMING: 4835400 CPU: 14518.3, 0.00303174/step Wall: 14518.3, 0.00303174/step, 0.138618 hours remaining, 210.347656 MB of memory in use. ENERGY: 4835400 751.6968 2134.9309 1950.0156 116.0391 -206593.4213 18127.3670 0.0000 0.0000 34272.5946 -149240.7773 299.3111 -183513.3719 -149138.0796 298.7227 72.0527 107.4471 558360.9313 15.7067 15.5899 PRESSURE: 4835600 123.442 -165.727 74.7989 -165.728 53.7551 25.6447 74.7985 25.6427 93.8204 GPRESSURE: 4835600 182.582 -271.971 84.6376 -118.178 66.4795 -13.077 108.412 -95.8769 126.059 PRESSAVG: 4835600 22.583 -35.8978 20.3697 -35.8978 19.164 -24.4329 20.3695 -24.4329 -24.5327 GPRESSAVG: 4835600 21.9805 -35.3036 19.561 -36.3422 19.9194 -21.9558 21.4032 -25.072 -24.4979 TIMING: 4835600 CPU: 14518.9, 0.0030473/step Wall: 14518.9, 0.0030473/step, 0.13916 hours remaining, 210.347656 MB of memory in use. ENERGY: 4835600 759.4228 2081.5987 1961.1800 120.8295 -206673.7270 18123.0790 0.0000 0.0000 34295.0310 -149332.5861 299.5070 -183627.6171 -149231.2313 299.6723 90.3393 125.0401 557852.4369 5.7381 5.8007 PRESSURE: 4835800 70.4673 -64.3952 103.9 -64.3958 -90.9064 -23.1299 103.9 -23.1284 -127.48 GPRESSURE: 4835800 127.597 -41.5643 48.3147 -175.994 -50.2691 64.8519 213.813 42.8733 -127.019 PRESSAVG: 4835800 58.2959 -6.70461 23.1499 -6.70464 -62.0576 -17.5716 23.1498 -17.5716 1.25585 GPRESSAVG: 4835800 58.958 -6.5393 22.7214 -7.33136 -61.6783 -20.8868 21.9782 -15.7796 0.776637 TIMING: 4835800 CPU: 14519.5, 0.00303137/step Wall: 14519.5, 0.00303137/step, 0.138264 hours remaining, 210.347656 MB of memory in use. ENERGY: 4835800 794.7429 2095.2920 1918.9251 119.3743 -206825.3243 17990.6241 0.0000 0.0000 34301.9820 -149604.3839 299.5677 -183906.3659 -149511.7181 299.8951 -49.3063 -16.5637 557677.1782 -0.8353 -0.6479 PRESSURE: 4836000 217.516 -111.819 -78.0705 -111.819 -177.519 -0.601017 -78.071 -0.600819 -188.155 GPRESSURE: 4836000 241.685 -56.1238 -90.575 -156.562 -103.858 31.6691 -151.374 -50.3047 -179.959 PRESSAVG: 4836000 6.15351 -23.7812 -21.9777 -23.7812 2.85876 -1.47186 -21.9777 -1.47183 -19.9371 GPRESSAVG: 4836000 6.11868 -24.9281 -23.211 -23.4718 2.18431 -0.341477 -22.1467 -0.872909 -19.0899 TIMING: 4836000 CPU: 14520.1, 0.00302366/step Wall: 14520.1, 0.00302366/step, 0.137745 hours remaining, 210.347656 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: 4836000 761.9214 2062.5397 1950.8604 139.1486 -206716.6607 17829.4747 0.0000 0.0000 34375.6265 -149597.0893 300.2109 -183972.7158 -149504.0488 298.7047 -49.3860 -14.0438 557871.0526 -3.6416 -3.5956 PRESSURE: 4836200 300.644 -44.6806 81.7793 -44.6817 104.265 141.117 81.7799 141.116 -203.145 GPRESSURE: 4836200 288.318 -61.7053 59.5128 -32.0501 121.999 125.017 96.2584 109.932 -113.064 PRESSAVG: 4836200 48.8275 -47.9933 -49.697 -47.9934 -33.0603 -26.715 -49.697 -26.715 -34.1548 GPRESSAVG: 4836200 49.2187 -46.4308 -48.8414 -46.5412 -32.892 -27.4423 -49.6031 -27.5281 -34.6048 TIMING: 4836200 CPU: 14520.7, 0.00300083/step Wall: 14520.7, 0.00300083/step, 0.136538 hours remaining, 210.347656 MB of memory in use. ENERGY: 4836200 734.4357 2084.6035 1960.5502 103.3940 -206667.5259 18059.4725 0.0000 0.0000 34119.4535 -149605.6165 297.9737 -183725.0700 -149509.6415 298.1980 67.2545 99.0843 558671.0959 -6.1292 -6.0927 LDB: ============= START OF LOAD BALANCING ============== 14524.2 LDB: ============== END OF LOAD BALANCING =============== 14524.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14524.2 LDB: ============= START OF LOAD BALANCING ============== 14524.5 LDB: Largest compute 4774 load 0.027861 is 23.6% of average load 0.118201 LDB: Average compute 0.001721 is 1.5% of average load 0.118201 LDB: TIME 14524.5 LOAD: AVG 0.118201 MAX 0.212699 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.465 MB LDB: TIME 14524.5 LOAD: AVG 0.118201 MAX 0.212699 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.668 MB LDB: TIME 14524.5 LOAD: AVG 0.118201 MAX 0.212699 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.668 MB LDB: ============== END OF LOAD BALANCING =============== 14524.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14524.5 PRESSURE: 4836400 -189.491 -45.0808 -157.123 -45.082 193.845 -41.1669 -157.123 -41.1674 27.2368 GPRESSURE: 4836400 -122.013 -30.2887 -69.7173 33.507 227.451 6.46775 -247.736 -100.464 34.5162 PRESSAVG: 4836400 23.3722 -67.4287 52.989 -67.4288 -15.0332 -16.6875 52.989 -16.6875 -8.74233 GPRESSAVG: 4836400 24.1385 -67.629 52.6405 -69.2045 -15.1909 -14.93 51.7381 -18.1141 -9.2788 TIMING: 4836400 CPU: 14521.3, 0.0030625/step Wall: 14521.3, 0.0030625/step, 0.139174 hours remaining, 209.222656 MB of memory in use. ENERGY: 4836400 763.0439 2122.0841 1935.5896 115.4067 -206575.4547 17865.9988 0.0000 0.0000 34169.5863 -149603.7453 298.4115 -183773.3316 -149518.9987 298.0576 10.5305 46.6515 556272.7931 -0.1344 -0.1104 PRESSURE: 4836600 175.887 -55.1974 -146.766 -55.1991 52.4073 -59.8361 -146.767 -59.8339 48.0968 GPRESSURE: 4836600 183.631 12.8078 -71.8925 -126.121 98.1874 2.0103 -99.8271 -85.4282 93.5266 PRESSAVG: 4836600 -4.86463 -35.0534 -25.0681 -35.0535 14.6797 -2.43911 -25.0681 -2.439 24.5793 GPRESSAVG: 4836600 -4.90258 -34.3868 -24.1541 -33.2692 14.9838 -0.610936 -23.6111 -1.41471 24.6556 TIMING: 4836600 CPU: 14521.9, 0.00301833/step Wall: 14521.9, 0.00301833/step, 0.136999 hours remaining, 209.425781 MB of memory in use. ENERGY: 4836600 719.4505 2105.5411 1931.2099 114.8887 -206442.5990 18018.5191 0.0000 0.0000 34038.2036 -149514.7860 297.2641 -183552.9896 -149418.6844 299.4453 92.1303 125.1149 556475.2999 11.4648 11.5789 PRESSURE: 4836800 -102.727 35.8237 -101.741 35.8252 -214.186 -27.992 -101.742 -27.9936 -56.6025 GPRESSURE: 4836800 -8.9347 0.816579 -99.1083 54.4683 -282.477 -53.7716 -119.468 -48.8756 16.1026 PRESSAVG: 4836800 12.7931 -32.6296 -4.85328 -32.6296 32.1332 -66.4811 -4.85325 -66.4811 -25.9979 GPRESSAVG: 4836800 13.128 -33.9555 -4.89415 -34.3794 30.6445 -68.9791 -4.60652 -67.3547 -25.1943 TIMING: 4836800 CPU: 14522.5, 0.00302397/step Wall: 14522.5, 0.00302397/step, 0.137087 hours remaining, 209.425781 MB of memory in use. ENERGY: 4836800 790.0451 2118.5253 1917.4876 119.7914 -206449.9800 17701.0606 0.0000 0.0000 34186.7168 -149616.3531 298.5611 -183803.0699 -149528.8301 298.9724 -124.5052 -91.7696 556650.4957 6.3095 6.1927 PRESSURE: 4837000 -202.434 42.786 8.74778 42.787 -122.68 44.0313 8.74689 44.0319 -174.406 GPRESSURE: 4837000 -190.782 26.5979 46.7608 57.7657 -81.517 115.125 -65.4795 33.0218 -140.991 PRESSAVG: 4837000 36.0815 33.504 -45.2437 33.5039 -48.0396 36.6601 -45.2437 36.6601 21.2401 GPRESSAVG: 4837000 35.6568 33.3089 -46.3277 34.7888 -46.5448 38.2173 -46.7294 36.1892 20.0709 TIMING: 4837000 CPU: 14523.1, 0.00301266/step Wall: 14523.1, 0.00301266/step, 0.136407 hours remaining, 209.425781 MB of memory in use. ENERGY: 4837000 755.0405 2044.7639 1943.8819 107.4790 -206679.2169 17842.8426 0.0000 0.0000 34443.0577 -149542.1513 300.7998 -183985.2090 -149443.2594 298.9689 -166.5068 -137.7635 557043.6524 3.0940 3.0610 PRESSURE: 4837200 289.672 -40.1247 -7.18089 -40.1251 -75.5714 -33.3891 -7.18146 -33.3895 -20.934 GPRESSURE: 4837200 324.358 -53.2366 6.80552 -78.2836 -61.6945 -1.29524 -24.9498 -53.2351 18.7595 PRESSAVG: 4837200 -49.226 34.7869 -63.0933 34.7869 -11.7431 18.1327 -63.0934 18.1326 55.343 GPRESSAVG: 4837200 -50.2341 35.7208 -62.7042 35.1055 -11.0927 20.4605 -61.2826 16.2767 56.2436 TIMING: 4837200 CPU: 14523.7, 0.00299865/step Wall: 14523.7, 0.00299865/step, 0.135606 hours remaining, 209.562500 MB of memory in use. ENERGY: 4837200 726.6001 2111.6493 1906.3240 109.8051 -206223.0313 17885.1167 0.0000 0.0000 34030.1395 -149453.3967 297.1937 -183483.5361 -149348.6402 298.9378 64.3890 93.8075 557424.3553 -1.8754 -1.6944 PRESSURE: 4837400 -220.468 -33.2038 -28.9471 -33.2054 71.3746 122.515 -28.9458 122.514 29.4587 GPRESSURE: 4837400 -183.324 -17.2482 -85.215 -40.1533 121.696 107.617 -22.7757 149.347 27.8603 PRESSAVG: 4837400 12.8663 -16.7631 -33.6224 -16.763 -16.3681 21.9307 -33.6224 21.9306 -9.25836 GPRESSAVG: 4837400 13.7154 -16.6875 -34.2286 -17.7705 -17.4839 21.9698 -34.7062 21.8457 -9.30956 TIMING: 4837400 CPU: 14524.3, 0.00299747/step Wall: 14524.3, 0.00299747/step, 0.135386 hours remaining, 209.562500 MB of memory in use. ENERGY: 4837400 727.3618 2073.9344 1925.4256 111.3280 -205944.0734 17778.6805 0.0000 0.0000 34019.6648 -149307.6784 297.1022 -183327.3432 -149212.9881 298.6530 -39.8782 -11.2559 558722.0944 -4.2534 -4.3593 PRESSURE: 4837600 -148.646 -199.449 204.017 -199.45 -53.7705 -126.594 204.018 -126.593 101.036 GPRESSURE: 4837600 -157.312 -234.173 139.409 -195.697 37.5271 -139.882 153.682 -85.9818 103.527 PRESSAVG: 4837600 16.1539 -0.300606 -29.9973 -0.3006 -4.42157 -21.2833 -29.9974 -21.2833 21.2119 GPRESSAVG: 4837600 14.6606 -0.684867 -28.0115 -1.36055 -3.06121 -23.1804 -30.1459 -19.6957 20.8507 TIMING: 4837600 CPU: 14524.9, 0.0030033/step Wall: 14524.9, 0.0030033/step, 0.135482 hours remaining, 209.562500 MB of memory in use. ENERGY: 4837600 729.5092 2076.3002 1957.1761 115.5058 -206097.0179 17713.8511 0.0000 0.0000 34219.5568 -149285.1187 298.8479 -183504.6755 -149186.9486 298.9768 -33.7938 -5.4194 557983.2653 10.9814 10.8167 PRESSURE: 4837800 42.2137 98.5813 -70.3899 98.5814 -132.43 -118.826 -70.3904 -118.826 291.26 GPRESSURE: 4837800 49.3291 108.787 -177.629 29.0255 -78.8329 7.07603 10.5729 -181.005 323.672 PRESSAVG: 4837800 -13.7224 -24.9374 29.1673 -24.9374 0.408762 28.4845 29.1673 28.4845 36.1725 GPRESSAVG: 4837800 -14.4316 -24.196 26.0274 -25.5837 -1.28129 26.394 30.5551 30.229 38.1755 TIMING: 4837800 CPU: 14525.5, 0.00298074/step Wall: 14525.5, 0.00298074/step, 0.134299 hours remaining, 209.562500 MB of memory in use. ENERGY: 4837800 708.0600 2098.9130 1933.3113 112.4663 -206346.1552 17940.2713 0.0000 0.0000 34298.6726 -149254.4608 299.5388 -183553.1333 -149162.7811 298.8950 67.0146 98.0560 557836.3363 7.6196 7.4875 PRESSURE: 4838000 -149.474 -16.7656 -105.29 -16.7648 -45.7834 120.908 -105.29 120.907 82.3269 GPRESSURE: 4838000 -100.116 -137.144 -157.484 80.1169 -3.55071 59.4974 -94.2485 85.8968 80.6261 PRESSAVG: 4838000 -85.5335 -25.4844 -36.08 -25.4843 8.37154 -41.9728 -36.08 -41.9729 82.8263 GPRESSAVG: 4838000 -85.0777 -24.9813 -32.8508 -24.2239 9.59831 -40.4674 -37.351 -43.4442 81.3261 TIMING: 4838000 CPU: 14526.1, 0.00295218/step Wall: 14526.1, 0.00295218/step, 0.132848 hours remaining, 209.562500 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: 4838000 743.9225 2113.8560 1932.1692 106.3653 -205967.2403 17766.9917 0.0000 0.0000 34234.7348 -149069.2009 298.9805 -183303.9356 -148979.1194 299.2414 -37.6435 -7.6801 556894.1814 1.8881 1.9489 PRESSURE: 4838200 167.484 -43.3024 89.1169 -43.3027 3.32612 -117.432 89.1169 -117.432 -242.426 GPRESSURE: 4838200 226.589 -49.2269 83.7398 -4.92411 16.9991 -85.9153 52.8443 -192.901 -208.702 PRESSAVG: 4838200 11.9986 25.0756 4.11638 25.0755 19.5724 23.6495 4.11646 23.6494 -62.1484 GPRESSAVG: 4838200 12.8998 24.0714 0.164129 25.1468 19.5932 23.5692 5.84353 25.3918 -63.407 TIMING: 4838200 CPU: 14526.7, 0.00297184/step Wall: 14526.7, 0.00297184/step, 0.133568 hours remaining, 209.562500 MB of memory in use. ENERGY: 4838200 771.4161 2038.9967 1910.4540 111.6012 -206061.6907 17774.4745 0.0000 0.0000 34406.7225 -149048.0257 300.4825 -183454.7482 -148947.4355 300.3087 -23.8720 11.6286 557624.7917 -10.1925 -10.3047 PRESSURE: 4838400 5.03379 233.161 36.8899 233.161 -125.268 -62.9264 36.8903 -62.9242 -369.929 GPRESSURE: 4838400 42.6051 205.416 149.353 188.191 -94.8123 -65.9197 3.24251 -71.318 -335.51 PRESSAVG: 4838400 17.8501 12.5271 -1.18577 12.5272 10.3984 -34.5384 -1.18579 -34.5385 -34.7286 GPRESSAVG: 4838400 18.3824 12.7376 2.56817 12.2995 10.4449 -34.4446 -4.11892 -35.233 -34.9916 TIMING: 4838400 CPU: 14527.3, 0.00297288/step Wall: 14527.3, 0.00297288/step, 0.133449 hours remaining, 209.562500 MB of memory in use. ENERGY: 4838400 741.4479 2106.8939 1936.5035 118.6460 -205952.1507 17507.8388 0.0000 0.0000 34315.4621 -149225.3586 299.6855 -183540.8206 -149133.2473 299.1767 -163.3877 -129.2391 557964.7683 -2.1600 -2.0548 PRESSURE: 4838600 37.2593 4.35364 75.8128 4.35257 51.7604 -90.5433 75.8125 -90.5434 -83.4778 GPRESSURE: 4838600 76.2935 52.5422 44.5831 4.90025 100.006 -158.413 65.4412 -93.0568 -71.1144 PRESSAVG: 4838600 -33.3171 72.8195 -10.5339 72.8196 47.0346 23.8443 -10.5339 23.8444 -20.1162 GPRESSAVG: 4838600 -33.1294 74.8021 -13.4965 72.3325 47.3436 24.2314 -7.14718 23.3929 -20.234 TIMING: 4838600 CPU: 14527.9, 0.00297561/step Wall: 14527.9, 0.00297561/step, 0.133407 hours remaining, 209.562500 MB of memory in use. ENERGY: 4838600 728.7387 2045.4723 1923.2703 107.9002 -205837.1844 17703.6678 0.0000 0.0000 34189.7488 -149138.3864 298.5876 -183328.1352 -149031.9857 299.2212 1.8473 35.0616 557797.8941 -2.1329 -2.0066 PRESSURE: 4838800 -137.092 25.607 176.248 25.6068 -85.1952 -8.69048 176.247 -8.69218 -81.6776 GPRESSURE: 4838800 -118.102 71.6578 196.474 81.6396 -37.4959 -53.9585 129.153 8.60992 -46.1544 PRESSAVG: 4838800 58.6685 11.0859 59.3694 11.0859 -53.7428 24.8272 59.3693 24.8272 -6.11735 GPRESSAVG: 4838800 57.7133 8.39108 59.829 11.189 -54.0961 25.9687 58.0616 23.9319 -5.01358 TIMING: 4838800 CPU: 14528.5, 0.00298199/step Wall: 14528.5, 0.00298199/step, 0.133527 hours remaining, 209.562500 MB of memory in use. ENERGY: 4838800 776.8922 2004.9304 1912.1978 107.1226 -206418.8799 17811.5970 0.0000 0.0000 34458.9643 -149347.1756 300.9387 -183806.1399 -149251.7610 299.4456 -101.3215 -67.2508 555870.5048 -0.3972 -0.4655 PRESSURE: 4839000 57.0087 85.5431 103.113 85.5441 305.771 36.1276 103.113 36.1283 -44.82 GPRESSURE: 4839000 40.6194 51.4062 111.703 41.6236 304.619 27.5394 118.659 2.80456 56.3562 PRESSAVG: 4839000 24.4759 10.7631 26.4981 10.763 -61.74 40.4908 26.498 40.4908 18.417 GPRESSAVG: 4839000 25.4523 11.6885 26.9725 11.0386 -62.7332 39.3285 25.8163 39.5614 18.5593 TIMING: 4839000 CPU: 14529.1, 0.00301428/step Wall: 14529.1, 0.00301428/step, 0.134805 hours remaining, 209.765625 MB of memory in use. ENERGY: 4839000 760.2954 2095.0378 1925.5290 114.1561 -206440.9988 18126.9603 0.0000 0.0000 34313.2552 -149105.7649 299.6662 -183419.0202 -149008.3723 299.6846 105.9865 133.8649 556962.4975 -6.2823 -6.2405 PRESSURE: 4839200 322.825 163.026 46.0372 163.025 18.4449 56.4638 46.0368 56.4635 -167.884 GPRESSURE: 4839200 340.421 56.6953 14.2892 187.712 58.6534 110.645 31.754 24.3942 -138.829 PRESSAVG: 4839200 -8.2915 5.49551 27.4116 5.49549 4.97179 44.1426 27.4116 44.1426 -50.0267 GPRESSAVG: 4839200 -9.39744 4.83747 27.1022 5.9055 7.2947 44.9718 28.1921 45.4092 -51.335 TIMING: 4839200 CPU: 14529.7, 0.00299513/step Wall: 14529.7, 0.00299513/step, 0.133782 hours remaining, 209.765625 MB of memory in use. ENERGY: 4839200 729.3588 2120.3040 1906.4300 117.5555 -206629.4853 18107.4481 0.0000 0.0000 34334.1482 -149314.2407 299.8487 -183648.3889 -149208.0699 299.0008 57.7951 86.7486 556298.2127 -17.7821 -17.8126 PRESSURE: 4839400 63.8372 -80.0439 -56.8444 -80.0428 118.868 58.8013 -56.8445 58.8028 -30.0263 GPRESSURE: 4839400 82.2265 -36.6402 -62.1121 -130.389 151.313 14.5847 -68.8027 22.051 -8.47048 PRESSAVG: 4839400 13.7771 14.7252 44.3706 14.7251 27.1962 -31.2263 44.3707 -31.2263 -48.7913 GPRESSAVG: 4839400 13.3498 14.1196 44.1449 13.4617 26.5076 -32.4482 44.9638 -31.5664 -47.5589 TIMING: 4839400 CPU: 14530.3, 0.00298916/step Wall: 14530.3, 0.00298916/step, 0.13335 hours remaining, 209.765625 MB of memory in use. ENERGY: 4839400 715.0131 2064.6011 1917.6154 112.4659 -206196.6946 17823.2316 0.0000 0.0000 34317.7252 -149246.0423 299.7052 -183563.7675 -149148.4979 299.5404 50.8929 75.0229 558268.2810 -2.6060 -2.5672 PRESSURE: 4839600 91.1258 -102.193 -102.322 -102.192 79.4235 4.8337 -102.322 4.83369 275.267 GPRESSURE: 4839600 114.194 -119.308 -117.863 -88.7465 169.477 -78.2687 -25.9487 69.4465 264.978 PRESSAVG: 4839600 -91.0885 -33.4597 -13.8939 -33.4596 40.8796 -98.8915 -13.894 -98.8915 54.2401 GPRESSAVG: 4839600 -89.8601 -30.5259 -13.3795 -31.5923 39.9077 -98.1251 -13.8711 -96.4089 53.3521 TIMING: 4839600 CPU: 14530.9, 0.00297258/step Wall: 14530.9, 0.00297258/step, 0.132445 hours remaining, 209.765625 MB of memory in use. ENERGY: 4839600 679.1595 2081.5799 1894.9440 119.4859 -206248.7350 17958.1984 0.0000 0.0000 34269.7698 -149245.5976 299.2864 -183515.3673 -149153.0185 299.2182 148.6054 182.8833 557140.5756 1.3437 1.1332 PRESSURE: 4839800 -136.328 -60.2519 -0.376025 -60.2535 233.324 93.0496 -0.377423 93.0496 53.6321 GPRESSURE: 4839800 -76.8336 -90.5545 -8.72035 -87.8843 273.772 141.2 15.8562 77.376 42.7109 PRESSAVG: 4839800 -27.5883 -6.2348 -21.2877 -6.23489 54.6726 2.53648 -21.2877 2.53642 -2.18629 GPRESSAVG: 4839800 -26.3975 -8.33067 -20.989 -6.22018 55.4118 2.8586 -22.758 0.298938 -3.20853 TIMING: 4839800 CPU: 14531.5, 0.00297729/step Wall: 14531.5, 0.00297729/step, 0.13249 hours remaining, 209.765625 MB of memory in use. ENERGY: 4839800 746.4073 2093.0393 1926.2521 109.4133 -206055.3290 17758.2748 0.0000 0.0000 34189.5757 -149232.3665 298.5861 -183421.9423 -149144.4036 299.1713 50.2093 79.8831 556447.8525 8.2993 8.6019 PRESSURE: 4840000 3.58283 -137.719 150.351 -137.719 106.609 168.506 150.351 168.508 -9.1499 GPRESSURE: 4840000 26.5565 -31.0491 196.974 -171.841 151.677 163.84 138.484 146.315 31.4464 PRESSAVG: 4840000 -23.7511 13.3935 10.2607 13.3936 -61.5333 24.1008 10.2608 24.1007 24.3319 GPRESSAVG: 4840000 -24.1134 11.5539 11.6806 13.958 -62.3567 22.7968 11.3643 24.6788 25.7201 TIMING: 4840000 CPU: 14532.1, 0.00296524/step Wall: 14532.1, 0.00296524/step, 0.131788 hours remaining, 209.765625 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: 4840000 737.8821 2092.4069 1957.7340 114.4597 -206249.6655 17978.8008 0.0000 0.0000 34205.8407 -149162.5413 298.7281 -183368.3820 -149071.3892 299.6614 33.6805 69.8935 558921.2694 -20.3175 -20.2500 PRESSURE: 4840200 -6.23278 -97.565 -145.199 -97.5653 -162.626 4.21921 -145.2 4.21852 257.86 GPRESSURE: 4840200 49.0143 -60.587 -161.108 -72.2421 -135.713 -25.2401 -165.58 -2.49287 274.824 PRESSAVG: 4840200 -45.1871 1.78611 -21.3106 1.78619 -16.2962 -8.24107 -21.3108 -8.24105 95.0662 GPRESSAVG: 4840200 -46.4844 1.8865 -21.8312 1.79182 -15.098 -8.05656 -22.2177 -8.81452 95.662 TIMING: 4840200 CPU: 14532.6, 0.00298011/step Wall: 14532.6, 0.00298011/step, 0.132284 hours remaining, 209.765625 MB of memory in use. ENERGY: 4840200 771.8560 2022.5401 1959.7341 119.1233 -206341.6179 18068.3333 0.0000 0.0000 34301.9961 -149098.0351 299.5679 -183400.0312 -149006.2705 299.6800 29.6672 62.7084 558487.2520 11.1943 11.3598 LDB: ============= START OF LOAD BALANCING ============== 14536.2 LDB: ============== END OF LOAD BALANCING =============== 14536.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14536.2 LDB: ============= START OF LOAD BALANCING ============== 14536.5 LDB: Largest compute 4773 load 0.026588 is 22.5% of average load 0.118277 LDB: Average compute 0.001724 is 1.5% of average load 0.118277 LDB: TIME 14536.5 LOAD: AVG 0.118277 MAX 0.211685 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.977 MB LDB: TIME 14536.5 LOAD: AVG 0.118277 MAX 0.211685 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.18 MB LDB: TIME 14536.5 LOAD: AVG 0.118277 MAX 0.211685 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.18 MB LDB: ============== END OF LOAD BALANCING =============== 14536.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14536.5 PRESSURE: 4840400 63.5082 221.906 11.2078 221.906 38.9182 44.2838 11.2082 44.2855 77.7824 GPRESSURE: 4840400 105.618 227.043 65.0926 209.465 13.1312 98.6233 -24.8189 12.9112 166.2 PRESSAVG: 4840400 -17.7841 34.7982 -30.6448 34.7982 -49.5386 0.101312 -30.6447 0.101412 95.4881 GPRESSAVG: 4840400 -17.2201 35.9242 -30.7487 34.7047 -50.5688 1.81176 -30.6227 0.624517 96.1105 TIMING: 4840400 CPU: 14533.3, 0.00303504/step Wall: 14533.3, 0.00303504/step, 0.134554 hours remaining, 208.464844 MB of memory in use. ENERGY: 4840400 757.2436 2057.5125 1945.8690 113.7207 -206082.3635 17926.2119 0.0000 0.0000 34216.0612 -149065.7446 298.8174 -183281.8059 -148961.3459 299.7183 60.0696 94.9831 558027.2142 9.3885 9.4405 PRESSURE: 4840600 23.612 -41.3492 -24.8927 -41.3497 -87.4329 97.3775 -24.8922 97.3771 217.173 GPRESSURE: 4840600 24.8596 7.23286 -41.7036 -22.7163 -27.1788 73.6897 46.1397 90.3507 268.819 PRESSAVG: 4840600 -0.726284 -40.0318 -27.6363 -40.0318 -59.3239 72.5383 -27.6363 72.5384 31.3206 GPRESSAVG: 4840600 -1.67003 -39.9424 -26.8787 -40.7048 -58.7161 71.2052 -28.3408 73.6119 30.9207 TIMING: 4840600 CPU: 14533.9, 0.00299852/step Wall: 14533.9, 0.00299852/step, 0.132768 hours remaining, 208.464844 MB of memory in use. ENERGY: 4840600 724.6284 2075.5461 1947.2494 111.7200 -206252.8797 17754.6077 0.0000 0.0000 34384.6805 -149254.4476 300.2900 -183639.1281 -149157.8908 299.3829 51.1174 88.8334 556858.9106 -9.5765 -9.8218 PRESSURE: 4840800 -96.9447 42.2727 -131.057 42.2719 -222.315 11.5104 -131.057 11.511 65.9485 GPRESSURE: 4840800 -70.7305 68.0944 -119.837 -32.1931 -145.077 10.7873 -158.176 -13.3395 58.975 PRESSAVG: 4840800 -20.3334 76.6379 -20.8636 76.638 -11.2805 35.5513 -20.8636 35.5513 8.66599 GPRESSAVG: 4840800 -19.0821 77.4892 -23.3101 76.6403 -11.0934 36.4332 -18.0373 32.7335 7.4368 TIMING: 4840800 CPU: 14534.5, 0.00303289/step Wall: 14534.5, 0.00303289/step, 0.134121 hours remaining, 208.464844 MB of memory in use. ENERGY: 4840800 721.9602 2081.1424 1943.9384 100.1636 -205758.8440 17555.3076 0.0000 0.0000 34190.2931 -149166.0387 298.5923 -183356.3318 -149061.6528 299.9350 -84.4370 -52.2775 557497.9682 -7.6493 -7.5796 PRESSURE: 4841000 -25.2432 -156.237 40.2737 -156.236 -5.56481 124.366 40.2731 124.363 17.9983 GPRESSURE: 4841000 13.8273 -215.384 -12.7789 -66.8347 16.5996 60.5409 17.9926 241.126 38.3702 PRESSAVG: 4841000 -10.9066 -60.4872 13.808 -60.4872 3.65141 4.24534 13.808 4.24538 -4.15741 GPRESSAVG: 4841000 -11.017 -62.8772 14.6906 -59.6513 3.78306 3.9701 12.6554 5.99761 -4.22848 TIMING: 4841000 CPU: 14535.1, 0.00303163/step Wall: 14535.1, 0.00303163/step, 0.133897 hours remaining, 208.464844 MB of memory in use. ENERGY: 4841000 750.0359 2117.7151 1933.5655 111.9040 -206082.4503 17627.3311 0.0000 0.0000 34170.6018 -149371.2968 298.4204 -183541.8986 -149274.8093 298.8132 -4.2699 22.9324 556860.9885 -3.8042 -3.8208 PRESSURE: 4841200 100.303 224.081 -95.9114 224.081 368.645 -36.1191 -95.9118 -36.1197 80.326 GPRESSURE: 4841200 161.216 229.987 -119.159 232.415 364.418 -11.3012 -77.9463 -38.7988 113.829 PRESSAVG: 4841200 90.8348 22.138 -2.88728 22.138 -38.436 21.7081 -2.88723 21.7081 -76.5243 GPRESSAVG: 4841200 90.8232 23.7637 -1.42292 21.3729 -39.0356 18.187 -4.64039 22.4227 -75.5382 TIMING: 4841200 CPU: 14535.7, 0.0030042/step Wall: 14535.7, 0.0030042/step, 0.132519 hours remaining, 208.464844 MB of memory in use. ENERGY: 4841200 731.7961 2086.3452 1941.3987 128.8210 -207022.3768 18229.2123 0.0000 0.0000 34366.0695 -149538.7341 300.1274 -183904.8036 -149436.8054 298.8948 183.0913 213.1544 555304.4487 -8.0418 -7.9168 PRESSURE: 4841400 -107.4 134.937 -43.0555 134.937 30.8278 -22.4092 -43.0542 -22.4085 79.9712 GPRESSURE: 4841400 -126.755 64.6887 -47.5463 117.4 64.5446 -1.40512 -28.1691 -5.52993 153.307 PRESSAVG: 4841400 -48.2351 -13.9736 7.81749 -13.9735 0.063221 39.7066 7.8174 39.7065 49.3587 GPRESSAVG: 4841400 -48.1363 -14.5498 7.19352 -13.2124 0.497521 42.1224 9.67293 38.9788 48.3222 TIMING: 4841400 CPU: 14536.3, 0.00300348/step Wall: 14536.3, 0.00300348/step, 0.13232 hours remaining, 208.464844 MB of memory in use. ENERGY: 4841400 695.9651 2128.9578 1931.0319 111.1684 -205889.4500 17655.8079 0.0000 0.0000 33996.0892 -149370.4298 296.8963 -183366.5190 -149277.9431 299.3022 1.1330 30.3656 555599.4246 0.3956 0.2278 PRESSURE: 4841600 -114.732 -138.709 15.2906 -138.709 75.9662 -165.448 15.2919 -165.448 175.693 GPRESSURE: 4841600 -115.867 -205.491 54.9354 -118.341 166.051 -165.09 -15.9625 -126.721 185.435 PRESSAVG: 4841600 6.70206 -2.32725 6.49622 -2.32719 -37.557 31.1467 6.4963 31.1467 59.6637 GPRESSAVG: 4841600 5.74807 -3.331 6.82523 -2.935 -37.0283 30.8914 6.03558 31.2242 59.8041 TIMING: 4841600 CPU: 14536.9, 0.00299776/step Wall: 14536.9, 0.00299776/step, 0.131901 hours remaining, 208.464844 MB of memory in use. ENERGY: 4841600 734.6617 2093.8567 1961.6851 118.4751 -206142.8131 17635.2584 0.0000 0.0000 34296.5336 -149302.3425 299.5202 -183598.8760 -149201.1525 298.8403 45.6425 78.5394 554896.5400 9.6029 9.5080 PRESSURE: 4841800 -170.543 39.1223 18.9177 39.1232 -231.784 70.062 18.9183 70.0611 -68.8594 GPRESSURE: 4841800 -152.152 17.0655 84.7025 3.15396 -189.336 109.186 -9.37 76.5469 -38.2615 PRESSAVG: 4841800 -54.3178 -50.1271 -5.51453 -50.1271 -12.5102 16.8033 -5.51451 16.8033 52.7019 GPRESSAVG: 4841800 -52.6092 -47.5938 -5.70027 -51.6451 -12.9977 17.8449 -6.562 18.9599 51.7363 TIMING: 4841800 CPU: 14537.5, 0.00298623/step Wall: 14537.5, 0.00298623/step, 0.131228 hours remaining, 208.464844 MB of memory in use. ENERGY: 4841800 775.1620 2094.3907 1949.1226 108.7507 -206100.1559 17621.2583 0.0000 0.0000 34173.1727 -149378.2991 298.4428 -183551.4717 -149276.4880 299.1397 -157.0622 -126.5832 556260.3633 -4.7087 -4.6236 PRESSURE: 4842000 -102.287 140.426 -11.4431 140.426 72.8628 -60.3243 -11.4435 -60.3253 -18.232 GPRESSURE: 4842000 -81.7325 111.565 -50.4903 134.693 90.8286 -83.7366 -12.0518 -94.1885 30.1578 PRESSAVG: 4842000 -62.627 23.2876 26.5416 23.2876 59.481 12.133 26.5417 12.133 28.2206 GPRESSAVG: 4842000 -62.9566 22.0644 26.7452 25.6022 58.6528 9.03832 28.6444 11.9028 28.6288 TIMING: 4842000 CPU: 14538.1, 0.00297495/step Wall: 14538.1, 0.00297495/step, 0.130567 hours remaining, 208.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4842000 750.8293 2159.0855 1944.3566 108.9437 -206387.8470 17704.5121 0.0000 0.0000 34426.6834 -149293.4364 300.6568 -183720.1199 -149209.2713 299.7404 -15.8855 13.0846 555923.9577 8.3582 8.1083 PRESSURE: 4842200 -171.966 -38.9818 10.0866 -38.9823 95.3852 -51.014 10.0863 -51.0129 -328.143 GPRESSURE: 4842200 -154.186 38.0355 46.8796 53.247 136.376 -6.00629 -10.0335 -80.3715 -280.997 PRESSAVG: 4842200 -33.3712 48.7204 -25.6976 48.7204 27.8422 26.1533 -25.6977 26.1533 -2.26186 GPRESSAVG: 4842200 -33.6542 47.9718 -26.5493 48.6665 27.8586 28.1909 -23.9814 24.5552 -2.13418 TIMING: 4842200 CPU: 14538.7, 0.0029581/step Wall: 14538.7, 0.0029581/step, 0.129663 hours remaining, 208.464844 MB of memory in use. ENERGY: 4842200 776.5439 2112.8751 1943.2015 98.5245 -206149.4046 17567.8596 0.0000 0.0000 34140.1261 -149510.2740 298.1542 -183650.4000 -149414.0905 298.4897 -134.9077 -99.6025 556261.3187 -2.5970 -2.6433 PRESSURE: 4842400 -281.949 0.328734 33.326 0.328072 158.657 -80.6562 33.3258 -80.6562 -79.4021 GPRESSURE: 4842400 -241.152 -12.4456 4.00844 -2.82701 154.788 -77.4191 54.753 -71.4519 -13.3829 PRESSAVG: 4842400 39.176 12.649 3.83602 12.649 67.9033 1.43434 3.83591 1.43445 -59.9163 GPRESSAVG: 4842400 37.9819 12.3053 4.44474 11.018 67.9109 3.09124 2.86262 1.70281 -58.9282 TIMING: 4842400 CPU: 14539.3, 0.00300041/step Wall: 14539.3, 0.00300041/step, 0.131351 hours remaining, 208.464844 MB of memory in use. ENERGY: 4842400 781.1912 2065.1903 1937.1042 116.6114 -206246.0673 17786.4770 0.0000 0.0000 34136.3835 -149423.1097 298.1215 -183559.4932 -149328.4851 298.6411 -67.5648 -33.2491 557570.1886 15.7210 15.6549 PRESSURE: 4842600 316.418 197.822 43.3175 197.822 129.415 87.7988 43.3162 87.7973 -125.232 GPRESSURE: 4842600 262.215 180.224 129.822 269.385 192.869 -12.2096 105.906 76.0585 -30.9998 PRESSAVG: 4842600 2.74941 19.6368 17.4934 19.6368 -21.0682 -38.664 17.4934 -38.6641 30.1466 GPRESSAVG: 4842600 2.76999 17.6503 18.8601 20.6932 -19.7635 -40.4654 16.3778 -36.4826 28.873 TIMING: 4842600 CPU: 14539.9, 0.00299582/step Wall: 14539.9, 0.00299582/step, 0.130984 hours remaining, 208.464844 MB of memory in use. ENERGY: 4842600 737.5685 2121.4027 1925.1171 114.5030 -206692.8374 18150.1371 0.0000 0.0000 34281.0438 -149363.0653 299.3849 -183644.1091 -149273.8756 298.4839 106.8670 141.3613 557043.8050 3.9426 3.9598 PRESSURE: 4842800 100.454 45.0733 -33.9634 45.0742 -78.1339 70.323 -33.9624 70.3245 -107.663 GPRESSURE: 4842800 131.046 116.633 -149.598 115.28 -10.6231 147.752 29.7236 60.7664 -96.9476 PRESSAVG: 4842800 17.9747 25.3424 -17.3355 25.3423 10.9231 34.7505 -17.3355 34.7505 -16.0302 GPRESSAVG: 4842800 17.8561 26.8127 -18.4809 24.6262 10.1308 35.3384 -16.9997 32.8575 -15.2859 TIMING: 4842800 CPU: 14540.5, 0.00304035/step Wall: 14540.5, 0.00304035/step, 0.132762 hours remaining, 208.464844 MB of memory in use. ENERGY: 4842800 832.3541 2135.5774 1955.1045 106.9264 -206370.1942 17935.4037 0.0000 0.0000 34201.0169 -149203.8112 298.6860 -183404.8281 -149116.2225 299.4806 -28.4476 7.8249 556548.4736 4.2892 4.2337 PRESSURE: 4843000 -137.187 121.474 14.8022 121.473 58.5279 64.7682 14.8015 64.7694 -224.14 GPRESSURE: 4843000 -85.5765 84.3329 97.3513 87.0893 32.6481 77.3507 -40.5421 181.254 -153.457 PRESSAVG: 4843000 -80.5372 -5.64299 -45.1843 -5.64292 130.561 41.0643 -45.1844 41.0643 -48.9258 GPRESSAVG: 4843000 -80.335 -6.32909 -43.1244 -7.06703 131.416 40.5604 -47.1951 41.1203 -50.1547 TIMING: 4843000 CPU: 14541.1, 0.00299508/step Wall: 14541.1, 0.00299508/step, 0.130619 hours remaining, 208.667969 MB of memory in use. ENERGY: 4843000 773.3548 2077.3419 1943.0354 116.6733 -206157.7572 17723.7277 0.0000 0.0000 34026.7120 -149496.9120 297.1637 -183523.6240 -149388.3934 299.1663 -100.9328 -68.7951 558005.6015 0.3660 0.3088 PRESSURE: 4843200 72.1361 -185.24 4.98736 -185.24 155.137 -94.9902 4.98712 -94.9882 -123.572 GPRESSURE: 4843200 34.493 -212.062 32.8637 -166.814 204.883 -167.631 72.1266 -7.78175 -34.2589 PRESSAVG: 4843200 -64.6871 -61.4713 -43.533 -61.4713 45.3158 40.4536 -43.5331 40.4536 11.4362 GPRESSAVG: 4843200 -65.8256 -63.4935 -45.6701 -58.2572 45.5992 39.7243 -42.141 39.8787 11.4801 TIMING: 4843200 CPU: 14541.7, 0.00299841/step Wall: 14541.7, 0.00299841/step, 0.130598 hours remaining, 208.667969 MB of memory in use. ENERGY: 4843200 757.4163 2095.6476 1943.2023 115.0609 -206568.6167 17982.8086 0.0000 0.0000 34202.8895 -149471.5915 298.7023 -183674.4810 -149379.3388 298.6225 34.5671 68.3725 557448.8833 -2.6451 -2.9154 PRESSURE: 4843400 -151.493 -47.5842 -39.6867 -47.5834 -41.6561 193.313 -39.6877 193.314 -146.556 GPRESSURE: 4843400 -134.764 1.58611 -94.5833 52.3823 -10.5683 157.407 33.9984 169.017 -89.6071 PRESSAVG: 4843400 16.1582 41.5611 -76.6883 41.5611 -14.5339 -20.4821 -76.6884 -20.4821 -19.6177 GPRESSAVG: 4843400 16.4812 43.3975 -76.0164 41.6173 -15.7336 -19.4636 -76.8646 -21.4266 -18.9989 TIMING: 4843400 CPU: 14542.3, 0.00297237/step Wall: 14542.3, 0.00297237/step, 0.129298 hours remaining, 208.667969 MB of memory in use. ENERGY: 4843400 751.0767 2175.6045 1953.7651 112.1940 -206510.6399 17883.9157 0.0000 0.0000 34255.1393 -149378.9447 299.1587 -183634.0840 -149281.7010 298.7553 -113.2352 -78.3133 558693.3621 -5.9978 -6.0838 PRESSURE: 4843600 120.37 82.2636 -118.604 82.2629 243.248 100.242 -118.605 100.241 12.1706 GPRESSURE: 4843600 165.195 101.461 -151.097 112.201 267.499 10.854 -99.4638 151.1 38.7718 PRESSAVG: 4843600 -6.5351 21.5833 -18.4402 21.5833 7.75539 22.3124 -18.4401 22.3125 -16.9654 GPRESSAVG: 4843600 -6.15419 21.1398 -21.6078 19.327 8.38323 20.0426 -16.8475 25.7244 -17.5695 TIMING: 4843600 CPU: 14542.8, 0.00297456/step Wall: 14542.8, 0.00297456/step, 0.129228 hours remaining, 208.667969 MB of memory in use. ENERGY: 4843600 727.6394 2140.8787 1935.7805 109.3877 -206712.0410 17955.3626 0.0000 0.0000 34205.7232 -149637.2689 298.7271 -183842.9921 -149537.5467 298.3201 125.2630 157.1554 555602.2691 -5.2484 -5.1135 PRESSURE: 4843800 86.2129 -55.9037 82.5978 -55.9039 -201.479 69.3867 82.5983 69.3872 -83.7937 GPRESSURE: 4843800 67.912 -38.1836 63.6606 -11.6683 -70.07 29.8602 143.831 92.3016 -103.811 PRESSAVG: 4843800 2.75252 32.3804 31.4655 32.3804 133.055 44.0126 31.4655 44.0126 -53.9135 GPRESSAVG: 4843800 2.65028 32.6905 34.13 31.8545 133.863 46.414 29.9911 42.1407 -54.0816 TIMING: 4843800 CPU: 14543.4, 0.00297092/step Wall: 14543.4, 0.00297092/step, 0.128905 hours remaining, 208.667969 MB of memory in use. ENERGY: 4843800 729.0468 2083.5231 1932.5599 114.2875 -206538.1529 17986.1223 0.0000 0.0000 33866.7735 -149825.8397 295.7670 -183692.6133 -149733.7336 298.1916 -66.3534 -35.3230 558382.5980 27.2980 27.4772 PRESSURE: 4844000 99.1112 172.445 137.781 172.445 266.965 31.7329 137.78 31.732 81.4388 GPRESSURE: 4844000 143.427 65.5288 189.57 185.498 256.016 -10.6521 132.525 225.715 133.96 PRESSAVG: 4844000 -9.41223 -23.5944 8.37629 -23.5943 36.9422 20.0265 8.37624 20.0264 -10.4849 GPRESSAVG: 4844000 -8.24968 -23.6859 8.1508 -24.0311 35.6371 18.1453 7.60926 22.3069 -10.3761 TIMING: 4844000 CPU: 14544, 0.00291939/step Wall: 14544, 0.00291939/step, 0.126507 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: 4844000 756.8582 2053.7602 1935.4765 102.7394 -207059.7587 18262.4887 0.0000 0.0000 34072.3748 -149876.0610 297.5625 -183948.4358 -149777.4195 297.3057 149.1716 177.8009 556006.1700 5.6817 5.6704 PRESSURE: 4844200 -24.9009 -157.149 -250.813 -157.149 209.667 20.8353 -250.815 20.8361 -332.564 GPRESSURE: 4844200 21.2026 -137.143 -300.551 -93.9985 191.042 30.9214 -171.919 -39.975 -258.14 PRESSAVG: 4844200 -19.2102 -3.7596 10.4048 -3.7596 49.7516 29.2252 10.4049 29.2251 -46.1448 GPRESSAVG: 4844200 -20.2927 -3.96406 11.2839 -2.19105 49.8177 31.1873 10.8593 26.1087 -45.0286 TIMING: 4844200 CPU: 14544.6, 0.00292879/step Wall: 14544.6, 0.00292879/step, 0.126752 hours remaining, 208.667969 MB of memory in use. ENERGY: 4844200 768.8633 2063.7281 1920.9263 112.9276 -206699.4282 17951.0826 0.0000 0.0000 34137.4906 -149744.4096 298.1312 -183881.9002 -149650.6512 297.9165 -49.2660 -15.2986 557055.0543 -5.2011 -5.1678 LDB: ============= START OF LOAD BALANCING ============== 14548.1 LDB: ============== END OF LOAD BALANCING =============== 14548.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14548.1 LDB: ============= START OF LOAD BALANCING ============== 14548.4 LDB: Largest compute 4773 load 0.027574 is 23.3% of average load 0.118170 LDB: Average compute 0.001723 is 1.5% of average load 0.118170 LDB: TIME 14548.4 LOAD: AVG 0.11817 MAX 0.207549 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.234 MB LDB: TIME 14548.4 LOAD: AVG 0.11817 MAX 0.207549 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.234 MB LDB: TIME 14548.4 LOAD: AVG 0.11817 MAX 0.207549 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.234 MB LDB: ============== END OF LOAD BALANCING =============== 14548.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14548.4 PRESSURE: 4844400 -99.2254 20.6069 -105.741 20.6078 -15.0839 70.4366 -105.741 70.4367 82.4296 GPRESSURE: 4844400 -95.2868 91.5658 -107.08 -58.6157 24.4047 60.638 -127.274 106.019 138.558 PRESSAVG: 4844400 -6.10027 3.83233 -28.1266 3.8323 8.50528 59.8661 -28.1266 59.8662 29.8754 GPRESSAVG: 4844400 -6.76866 5.27273 -29.1232 2.64486 9.11627 59.4207 -28.0722 60.8006 29.7406 TIMING: 4844400 CPU: 14545.2, 0.00300099/step Wall: 14545.2, 0.00300099/step, 0.12971 hours remaining, 210.265625 MB of memory in use. ENERGY: 4844400 734.7512 2065.4689 1947.4362 102.9789 -206247.0360 17675.8834 0.0000 0.0000 34230.3970 -149490.1203 298.9426 -183720.5174 -149385.8406 298.0755 -10.6266 22.5588 557075.9537 10.7601 10.6961 PRESSURE: 4844600 -443.229 21.7734 119.994 21.7727 -12.2446 -198.083 119.993 -198.084 14.7214 GPRESSURE: 4844600 -403.848 -31.9668 127.455 -8.39334 -5.48768 -282.057 177.732 -141.519 82.3088 PRESSAVG: 4844600 -71.9538 26.5357 17.1486 26.5357 84.6989 -15.1958 17.1486 -15.1959 -7.30762 GPRESSAVG: 4844600 -69.9611 26.0339 14.97 26.4666 83.5847 -15.2579 19.9811 -14.56 -8.09552 TIMING: 4844600 CPU: 14545.8, 0.00294595/step Wall: 14545.8, 0.00294595/step, 0.127167 hours remaining, 210.332031 MB of memory in use. ENERGY: 4844600 723.9184 2066.7389 1935.2247 112.7580 -205717.3471 17451.7897 0.0000 0.0000 34076.2713 -149350.6461 297.5966 -183426.9174 -149257.9879 299.0361 -146.9175 -109.0089 558934.9484 1.8125 1.8427 PRESSURE: 4844800 2.51504 17.3761 -103.559 17.3758 95.7225 -129.119 -103.56 -129.119 -284.345 GPRESSURE: 4844800 70.2518 -3.02893 -102.033 -8.08806 72.4278 -97.4384 -99.0896 -201.44 -215.015 PRESSAVG: 4844800 22.0359 -35.8104 35.8841 -35.8104 -25.3374 -17.3579 35.8841 -17.358 -0.79272 GPRESSAVG: 4844800 20.9739 -35.3106 40.2613 -35.9569 -25.5028 -18.2004 32.8384 -17.0334 0.307687 TIMING: 4844800 CPU: 14546.4, 0.00295022/step Wall: 14546.4, 0.00295022/step, 0.127187 hours remaining, 210.332031 MB of memory in use. ENERGY: 4844800 738.2877 2075.0360 1943.5087 119.4790 -206250.3620 17806.0578 0.0000 0.0000 34240.5996 -149327.3931 299.0317 -183567.9927 -149237.7975 299.1076 -62.0358 -24.1119 558141.9014 -1.3648 -1.4071 PRESSURE: 4845000 -141.621 64.9642 -46.3845 64.9647 235.594 -3.09976 -46.3847 -3.10035 65.9552 GPRESSURE: 4845000 -133.829 6.74333 81.1727 96.7836 289.923 9.38657 -147.367 -11.4657 116.407 PRESSAVG: 4845000 31.5344 3.54428 5.46816 3.54431 15.0841 26.632 5.46826 26.632 -22.5155 GPRESSAVG: 4845000 30.834 3.86632 4.21403 3.67698 15.4168 26.7351 5.64246 26.0784 -22.5555 TIMING: 4845000 CPU: 14547, 0.00295575/step Wall: 14547, 0.00295575/step, 0.127262 hours remaining, 210.343750 MB of memory in use. ENERGY: 4845000 723.6798 2080.1987 1889.0814 111.3877 -206548.6401 17956.4293 0.0000 0.0000 34480.9538 -149306.9094 301.1307 -183787.8632 -149201.5893 299.1847 53.3094 90.8335 557692.0907 8.0344 7.8984 PRESSURE: 4845200 -259.306 -26.8154 72.7616 -26.8158 -446.734 -122.519 72.7618 -122.52 -262.602 GPRESSURE: 4845200 -221.312 -29.8049 15.1062 -152.931 -422.625 -141.378 96.8117 -110.059 -220.129 PRESSAVG: 4845200 -28.2638 18.6287 15.7773 18.6287 -16.276 -11.1919 15.7774 -11.192 19.1625 GPRESSAVG: 4845200 -28.1707 17.344 13.6433 17.8927 -15.9989 -12.4325 17.2943 -8.22839 18.8141 TIMING: 4845200 CPU: 14547.6, 0.00295781/step Wall: 14547.6, 0.00295781/step, 0.127186 hours remaining, 210.546875 MB of memory in use. ENERGY: 4845200 751.4069 2101.2168 1942.1993 100.3494 -205485.7115 17310.8874 0.0000 0.0000 34252.2544 -149027.3974 299.1335 -183279.6518 -148935.1436 299.2611 -322.8804 -288.0218 559566.9644 -8.4591 -8.4518 PRESSURE: 4845400 -141.767 9.51963 206.408 9.51884 -153.269 -2.67856 206.409 -2.67782 193.353 GPRESSURE: 4845400 -90.1362 0.807168 214.926 -24.9095 -112.696 -4.34863 235.877 -107.889 198.8 PRESSAVG: 4845400 -41.0538 14.1129 -10.5769 14.113 61.6487 0.986957 -10.5768 0.986853 3.52898 GPRESSAVG: 4845400 -40.2021 16.2051 -8.01739 13.7034 61.5688 3.06779 -10.7273 -2.12769 2.80236 TIMING: 4845400 CPU: 14548.2, 0.00297128/step Wall: 14548.2, 0.00297128/step, 0.1276 hours remaining, 210.546875 MB of memory in use. ENERGY: 4845400 750.9063 2085.9464 1946.3776 116.6665 -205980.6562 17657.4665 0.0000 0.0000 34381.1890 -149042.1039 300.2595 -183423.2929 -148943.7603 300.0653 -33.8943 -1.3441 557506.3979 8.0413 8.0564 PRESSURE: 4845600 262.205 -71.6374 21.2523 -71.6369 -67.2393 120.026 21.2527 120.025 24.8062 GPRESSURE: 4845600 249.556 -105.739 6.62516 -22.6488 49.2312 39.9609 -14.1072 76.7503 11.1302 PRESSAVG: 4845600 -20.8373 16.0523 37.0073 16.0523 26.8209 43.959 37.0074 43.9589 -23.4414 GPRESSAVG: 4845600 -21.2113 14.6836 37.5084 17.768 26.999 43.3645 35.4412 45.7737 -23.0858 TIMING: 4845600 CPU: 14548.8, 0.00297661/step Wall: 14548.8, 0.00297661/step, 0.127664 hours remaining, 210.546875 MB of memory in use. ENERGY: 4845600 738.4234 2142.8737 1985.1663 107.3111 -206390.9332 17927.5465 0.0000 0.0000 34423.7785 -149065.8338 300.6314 -183489.6123 -148972.7943 300.0539 73.2572 103.3058 556827.1710 -5.8192 -5.7660 PRESSURE: 4845800 -36.2971 -100.79 -29.0918 -100.789 -59.0833 -92.2853 -29.093 -92.2845 116.751 GPRESSURE: 4845800 -26.1103 -64.837 -38.1738 -118.146 -13.4845 -96.3461 23.1342 -78.0547 164.876 PRESSAVG: 4845800 -52.577 -37.4459 -25.7088 -37.446 49.5159 7.96824 -25.7088 7.96815 -11.0281 GPRESSAVG: 4845800 -53.222 -37.2253 -26.497 -39.0671 50.4955 7.2341 -23.5203 7.16134 -11.6434 TIMING: 4845800 CPU: 14549.4, 0.00298952/step Wall: 14549.4, 0.00298952/step, 0.128051 hours remaining, 210.546875 MB of memory in use. ENERGY: 4845800 737.7914 2035.3119 1978.4125 109.0626 -206007.1102 17662.0889 0.0000 0.0000 34248.2617 -149236.1813 299.0986 -183484.4430 -149133.6452 299.5367 7.1235 41.7603 557187.6263 -4.6964 -4.7900 PRESSURE: 4846000 53.2885 -67.9152 69.2364 -67.9152 -347.603 47.912 69.2359 47.9116 -347.375 GPRESSURE: 4846000 122.618 -107.338 72.8047 -13.4018 -359.088 64.5318 119.768 69.2984 -291.915 PRESSAVG: 4846000 43.0771 19.4616 4.93975 19.4616 50.7948 -1.54774 4.93975 -1.54778 -79.1233 GPRESSAVG: 4846000 43.4192 19.3631 5.78152 21.5384 50.2181 -0.754873 4.33538 -2.38687 -78.9359 TIMING: 4846000 CPU: 14550, 0.00297262/step Wall: 14550, 0.00297262/step, 0.127162 hours remaining, 210.546875 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: 4846000 753.5189 2106.9670 1976.7548 120.7389 -205732.1387 17393.5214 0.0000 0.0000 34284.4506 -149096.1872 299.4146 -183380.6377 -148996.5998 299.2160 -213.8964 -176.1284 557684.9332 4.9162 4.9005 PRESSURE: 4846200 -49.6639 44.6024 -1.75458 44.6029 -105.973 -0.168127 -1.75457 -0.169105 -248.113 GPRESSURE: 4846200 21.1984 -13.0164 89.2078 111.248 -119.277 0.49661 -87.9204 -35.9819 -210.586 PRESSAVG: 4846200 42.5117 9.79802 -22.2758 9.79816 38.9047 -12.5296 -22.2757 -12.5295 -61.8557 GPRESSAVG: 4846200 44.4028 7.63234 -24.506 8.8846 37.4194 -11.059 -20.9689 -14.3407 -62.95 TIMING: 4846200 CPU: 14550.5, 0.00295804/step Wall: 14550.5, 0.00295804/step, 0.126374 hours remaining, 210.546875 MB of memory in use. ENERGY: 4846200 743.7235 2104.4371 1970.6127 111.3526 -206133.1159 17690.8245 0.0000 0.0000 34458.3610 -149053.8045 300.9334 -183512.1655 -148959.1398 299.7936 -134.5832 -102.8882 558055.3831 6.5202 6.2907 PRESSURE: 4846400 81.5394 75.5115 76.4198 75.5117 -39.5432 -4.42853 76.42 -4.42757 -139.029 GPRESSURE: 4846400 122.433 124.96 48.9619 42.8818 -10.4702 16.1919 124.967 -50.8426 -101.126 PRESSAVG: 4846400 13.2915 -1.72241 0.787791 -1.72239 24.3477 7.34154 0.787745 7.34161 -54.6591 GPRESSAVG: 4846400 12.1503 -1.6123 1.74108 -1.32781 24.9042 6.82894 -0.473418 8.45595 -53.8832 TIMING: 4846400 CPU: 14551.1, 0.00298386/step Wall: 14551.1, 0.00298386/step, 0.127311 hours remaining, 210.546875 MB of memory in use. ENERGY: 4846400 707.5476 2100.7358 1933.1802 127.2885 -206336.5126 17894.6134 0.0000 0.0000 34443.1018 -149130.0455 300.8002 -183573.1473 -149025.6041 300.3737 -32.3442 3.6124 558370.3033 -5.6733 -5.6096 PRESSURE: 4846600 176.011 -67.3056 -23.2546 -67.304 -56.3847 -15.28 -23.2541 -15.2793 -41.9165 GPRESSURE: 4846600 190.961 -14.0812 -41.158 -41.9184 -29.6956 82.3399 -71.911 -24.5921 14.8186 PRESSAVG: 4846600 -13.8413 -17.4947 -9.03646 -17.4948 38.0423 17.3551 -9.0365 17.3552 -15.9674 GPRESSAVG: 4846600 -13.8986 -14.8442 -9.74667 -20.1748 38.2973 17.7005 -10.8315 17.171 -15.7172 TIMING: 4846600 CPU: 14551.7, 0.00296303/step Wall: 14551.7, 0.00296303/step, 0.126258 hours remaining, 210.546875 MB of memory in use. ENERGY: 4846600 715.8295 2058.8410 1925.5172 104.5874 -206306.7600 17979.1026 0.0000 0.0000 34358.7188 -149164.1634 300.0632 -183522.8822 -149067.1292 299.7351 25.9031 58.6946 557933.2190 2.7445 2.8938 PRESSURE: 4846800 49.4202 -49.2063 46.0604 -49.2081 -79.6386 134.548 46.0605 134.549 -198.25 GPRESSURE: 4846800 95.8646 -26.0212 83.5381 -49.0306 -36.2789 64.1193 12.9613 138.761 -206.362 PRESSAVG: 4846800 78.5351 2.40384 83.7616 2.4038 -52.4676 -19.8217 83.7614 -19.8217 14.1116 GPRESSAVG: 4846800 77.937 0.35216 82.0009 5.68531 -52.385 -23.4929 85.7583 -17.3306 14.1532 TIMING: 4846800 CPU: 14552.3, 0.00298341/step Wall: 14552.3, 0.00298341/step, 0.126961 hours remaining, 210.546875 MB of memory in use. ENERGY: 4846800 737.8746 2060.3425 1918.6655 123.9940 -206012.4527 17766.8825 0.0000 0.0000 34165.0098 -149239.6838 298.3715 -183404.6937 -149134.4115 299.4701 -76.1562 -48.9253 558180.5685 13.3930 13.2351 PRESSURE: 4847000 -253.2 -55.7002 104.41 -55.7021 40.9149 -72.6234 104.41 -72.6221 -84.0189 GPRESSURE: 4847000 -203.139 8.15417 183.745 -122.419 58.9792 -46.0196 72.4117 -107.028 -66.9491 PRESSAVG: 4847000 -16.9276 18.6687 32.3512 18.6686 24.2925 -23.8338 32.3513 -23.8339 -20.3511 GPRESSAVG: 4847000 -16.8618 19.4499 32.9483 19.191 23.8318 -20.4175 31.7143 -25.9367 -20.0157 TIMING: 4847000 CPU: 14552.9, 0.00296686/step Wall: 14552.9, 0.00296686/step, 0.126092 hours remaining, 210.546875 MB of memory in use. ENERGY: 4847000 720.5845 2037.6323 1954.1518 98.8049 -206101.3056 17777.3836 0.0000 0.0000 34396.3622 -149116.3863 300.3920 -183512.7485 -149019.5200 299.6214 -98.7679 -70.3697 557868.6756 -4.3288 -4.3486 PRESSURE: 4847200 -77.8252 -90.6185 41.7544 -90.6183 119.784 -107.803 41.754 -107.804 47.4301 GPRESSURE: 4847200 -23.0406 -125.023 44.5901 -136.135 125.722 -104.569 79.0371 -122.947 91.2825 PRESSAVG: 4847200 33.1427 20.4684 1.64315 20.4684 -14.0812 -34.4502 1.64319 -34.4504 10.0232 GPRESSAVG: 4847200 33.0204 20.3367 0.789191 18.8648 -14.2992 -34.7921 2.70769 -34.05 10.6436 TIMING: 4847200 CPU: 14553.5, 0.0029613/step Wall: 14553.5, 0.0029613/step, 0.125691 hours remaining, 210.546875 MB of memory in use. ENERGY: 4847200 709.0301 2102.9846 1937.6766 116.5724 -206134.6832 17712.7559 0.0000 0.0000 34405.9387 -149149.7248 300.4756 -183555.6635 -149052.6325 299.8711 29.7963 64.6545 557054.5823 9.6949 9.7883 PRESSURE: 4847400 -111.925 -59.8817 92.8317 -59.8813 185.605 -73.721 92.8312 -73.7196 -16.3228 GPRESSURE: 4847400 -104.02 14.7417 21.1559 -74.5768 240.667 -193.894 148.277 -55.4816 7.2918 PRESSAVG: 4847400 -46.4399 61.6371 22.4865 61.6372 23.8236 14.3911 22.4865 14.3911 4.95309 GPRESSAVG: 4847400 -45.6396 63.1099 23.4282 60.875 23.9 13.9059 22.2446 15.535 4.00114 TIMING: 4847400 CPU: 14554.1, 0.00296806/step Wall: 14554.1, 0.00296806/step, 0.125813 hours remaining, 210.546875 MB of memory in use. ENERGY: 4847400 722.2782 2088.7038 1936.6158 105.7627 -205994.1375 17759.7629 0.0000 0.0000 34128.4949 -149252.5192 298.0526 -183381.0141 -149160.9869 299.7263 19.1189 47.9795 559374.7355 -5.8877 -5.9128 PRESSURE: 4847600 -152.244 -71.1446 142.012 -71.1439 -272.612 -61.5678 142.013 -61.5668 -289.072 GPRESSURE: 4847600 -103.795 -70.1084 84.2543 -24.4964 -276.446 -90.5582 174.454 21.011 -235.843 PRESSAVG: 4847600 -35.8948 -9.87657 25.9576 -9.87666 53.727 -5.09491 25.9576 -5.09495 18.1587 GPRESSAVG: 4847600 -35.2192 -10.7788 24.8744 -9.51383 53.7179 -5.51572 25.3726 -8.57091 17.4811 TIMING: 4847600 CPU: 14554.7, 0.00297917/step Wall: 14554.7, 0.00297917/step, 0.126118 hours remaining, 210.546875 MB of memory in use. ENERGY: 4847600 715.6632 2092.5281 1952.5277 108.2180 -205982.2195 17555.8695 0.0000 0.0000 34329.0292 -149228.3838 299.8040 -183557.4130 -149134.5947 299.3323 -237.9759 -205.3612 561232.8702 11.9970 11.9933 PRESSURE: 4847800 -139.704 -46.1626 -192.233 -46.1636 -360.341 -78.0344 -192.232 -78.0362 -337.125 GPRESSURE: 4847800 -106.202 -70.7249 -120.947 -7.09905 -348.425 -43.057 -181.652 -58.2658 -291.271 PRESSAVG: 4847800 17.0117 -49.5668 -11.0635 -49.5668 50.1367 -40.9651 -11.0634 -40.9651 -46.4346 GPRESSAVG: 4847800 16.9083 -49.7301 -11.1063 -48.3584 49.305 -39.3369 -9.61982 -39.4876 -45.255 TIMING: 4847800 CPU: 14555.3, 0.00300304/step Wall: 14555.3, 0.00300304/step, 0.126962 hours remaining, 210.546875 MB of memory in use. ENERGY: 4847800 734.9243 2032.3577 1953.0343 127.6315 -205816.3463 17550.8650 0.0000 0.0000 34193.7921 -149223.7416 298.6229 -183417.5336 -149127.2240 298.6620 -279.0564 -248.6327 561339.2563 6.9046 6.9861 PRESSURE: 4848000 103.576 -172.615 -6.48604 -172.615 -21.29 -32.8948 -6.48574 -32.8949 64.7613 GPRESSURE: 4848000 107.41 -285.676 22.1843 -58.1146 2.15587 42 -54.7632 -37.9635 125.443 PRESSAVG: 4848000 -2.38251 -36.0977 14.7479 -36.0978 -8.36199 -15.5079 14.7479 -15.5079 10.1077 GPRESSAVG: 4848000 -2.92615 -36.43 14.7195 -36.5581 -7.58995 -16.9846 13.1878 -14.8529 10.13 TIMING: 4848000 CPU: 14555.9, 0.00297619/step Wall: 14555.9, 0.00297619/step, 0.125662 hours remaining, 210.546875 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: 4848000 727.4533 2058.1193 1941.8643 111.2586 -206261.4220 17853.3033 0.0000 0.0000 34225.5273 -149343.8960 298.9000 -183569.4232 -149253.3657 298.8997 49.0157 78.3362 558946.0583 -0.2123 -0.1287 PRESSURE: 4848200 -258.658 -117.154 -143.981 -117.154 111.222 130.899 -143.982 130.898 -47.0044 GPRESSURE: 4848200 -210.134 -119.011 15.3845 -63.5645 145.004 158.929 -209.06 112.426 -13.8845 PRESSAVG: 4848200 -29.0643 -52.1395 -32.1768 -52.1394 -18.758 -20.3215 -32.1768 -20.3215 54.2371 GPRESSAVG: 4848200 -29.6166 -51.9728 -31.9833 -53.6669 -18.1099 -20.6805 -32.8822 -19.2331 54.4149 TIMING: 4848200 CPU: 14556.5, 0.0029822/step Wall: 14556.5, 0.0029822/step, 0.125749 hours remaining, 210.546875 MB of memory in use. ENERGY: 4848200 726.7682 2122.9841 1950.6144 125.8628 -205969.3606 17752.3858 0.0000 0.0000 34185.8192 -149104.9262 298.5533 -183290.7454 -149008.1042 299.5193 -64.8136 -26.3383 557369.7644 2.1383 2.2295 LDB: ============= START OF LOAD BALANCING ============== 14560 LDB: ============== END OF LOAD BALANCING =============== 14560 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14560 LDB: ============= START OF LOAD BALANCING ============== 14560.3 LDB: Largest compute 4773 load 0.027045 is 22.9% of average load 0.118230 LDB: Average compute 0.001726 is 1.5% of average load 0.118230 LDB: TIME 14560.3 LOAD: AVG 0.11823 MAX 0.209808 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.492 MB LDB: TIME 14560.3 LOAD: AVG 0.11823 MAX 0.209808 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.562 MB LDB: TIME 14560.3 LOAD: AVG 0.11823 MAX 0.209808 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.562 MB LDB: ============== END OF LOAD BALANCING =============== 14560.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14560.3 PRESSURE: 4848400 -21.3558 190.287 -60.268 190.286 -358.209 -43.8934 -60.268 -43.8944 -209.323 GPRESSURE: 4848400 -52.2345 245.765 -24.8726 128.473 -266.97 -54.9467 -81.5059 -39.4441 -174.113 PRESSAVG: 4848400 -16.0481 23.3998 -11.1333 23.3998 31.0847 27.0755 -11.1333 27.0754 -43.3464 GPRESSAVG: 4848400 -15.5998 23.6742 -10.0756 25.205 31.806 26.0007 -11.191 26.6248 -44.9926 TIMING: 4848400 CPU: 14557.1, 0.00301072/step Wall: 14557.1, 0.00301072/step, 0.126785 hours remaining, 210.316406 MB of memory in use. ENERGY: 4848400 763.7117 2099.3852 1926.7477 105.5025 -205911.7660 17544.3325 0.0000 0.0000 34358.1566 -149113.9298 300.0583 -183472.0865 -149016.1741 299.1615 -196.2959 -164.4390 558849.1180 -9.4366 -9.5955 PRESSURE: 4848600 10.4754 -58.5316 89.3967 -58.5303 84.0527 -146.449 89.3981 -146.449 -14.7169 GPRESSURE: 4848600 117.648 -46.1739 22.0747 -148.835 98.6308 -161.733 5.77877 -95.1525 -39.4347 PRESSAVG: 4848600 90.1522 50.4016 -21.6624 50.4017 40.5933 -41.8681 -21.6624 -41.8682 -75.4527 GPRESSAVG: 4848600 89.5907 48.8579 -22.4363 49.7241 40.7863 -40.8377 -19.8066 -42.0165 -74.5919 TIMING: 4848600 CPU: 14557.7, 0.00296759/step Wall: 14557.7, 0.00296759/step, 0.124804 hours remaining, 210.519531 MB of memory in use. ENERGY: 4848600 755.8178 2109.2404 1951.5689 115.9590 -206217.8677 17916.6730 0.0000 0.0000 34297.1311 -149071.4775 299.5254 -183368.6086 -148976.2741 299.4825 26.6037 58.9481 557913.3894 18.4310 18.5950 PRESSURE: 4848800 -190.497 36.7227 -24.1653 36.7226 -207.759 16.9112 -24.1665 16.9104 -32.1898 GPRESSURE: 4848800 -143.55 12.6042 13.2137 60.0442 -187.88 -3.2781 -40.9592 0.0796777 -19.5231 PRESSAVG: 4848800 -10.1363 58.4558 32.4783 58.4558 -20.9255 -23.9025 32.4783 -23.9025 39.1239 GPRESSAVG: 4848800 -9.37205 59.3414 32.9264 59.7399 -20.7443 -24.1003 31.5888 -23.0718 38.7345 TIMING: 4848800 CPU: 14558.3, 0.00296303/step Wall: 14558.3, 0.00296303/step, 0.124447 hours remaining, 210.519531 MB of memory in use. ENERGY: 4848800 735.2149 2082.2714 1937.6547 107.4150 -205935.9455 17503.2932 0.0000 0.0000 34302.8775 -149267.2188 299.5756 -183570.0962 -149168.7395 299.6443 -143.4817 -116.9843 557578.6611 2.6873 2.8727 PRESSURE: 4849000 -254.933 127.488 -100.426 127.488 -203.209 52.85 -100.426 52.8499 -48.55 GPRESSURE: 4849000 -234.76 203.571 -75.8915 82.6627 -154.908 -8.81869 -30.2169 28.7138 -15.9953 PRESSAVG: 4849000 -8.86735 50.1827 9.25325 50.1826 -17.0824 -58.3377 9.25315 -58.3377 24.6195 GPRESSAVG: 4849000 -8.87105 50.905 10.6968 48.7487 -18.9496 -58.5684 8.96515 -60.7366 26.5304 TIMING: 4849000 CPU: 14558.9, 0.00297734/step Wall: 14558.9, 0.00297734/step, 0.124883 hours remaining, 210.519531 MB of memory in use. ENERGY: 4849000 768.9414 2076.9625 1940.6542 116.7393 -205913.7689 17432.9435 0.0000 0.0000 34228.5953 -149348.9326 298.9268 -183577.5280 -149261.3137 298.9292 -168.8975 -135.2209 556388.7655 -0.4434 -0.4301 PRESSURE: 4849200 119.406 -68.8684 -61.4167 -68.8683 98.7697 121.904 -61.417 121.903 -18.4721 GPRESSURE: 4849200 147.56 4.36419 -114.95 -31.084 143.043 88.3907 63.887 138.024 -0.737521 PRESSAVG: 4849200 41.025 57.4093 -21.4043 57.4093 4.74696 -16.5801 -21.4043 -16.58 -26.8445 GPRESSAVG: 4849200 40.367 56.2698 -24.4616 57.3779 5.16684 -17.0173 -19.0363 -17.2854 -26.7643 TIMING: 4849200 CPU: 14559.5, 0.00297631/step Wall: 14559.5, 0.00297631/step, 0.124674 hours remaining, 210.519531 MB of memory in use. ENERGY: 4849200 760.4603 2062.8443 1923.7875 105.9035 -206527.1558 17983.5117 0.0000 0.0000 34325.4004 -149365.2481 299.7723 -183690.6485 -149271.5763 298.7196 66.5678 96.6219 557800.0918 6.3091 6.2565 PRESSURE: 4849400 163.533 -91.3193 -58.1948 -91.3191 -179.533 -141.158 -58.1947 -141.158 79.5743 GPRESSURE: 4849400 165.641 -257.911 -26.424 -54.0854 -180.732 -127.099 -36.8733 -156.031 173.1 PRESSAVG: 4849400 19.5198 7.08829 -26.967 7.08821 -20.1826 15.2472 -26.9671 15.2472 7.52074 GPRESSAVG: 4849400 19.5694 8.01799 -24.3209 7.797 -19.0167 16.7119 -29.0951 17.742 7.00776 TIMING: 4849400 CPU: 14560.1, 0.0029453/step Wall: 14560.1, 0.0029453/step, 0.123212 hours remaining, 210.519531 MB of memory in use. ENERGY: 4849400 721.6869 2101.4772 1934.3605 124.1114 -205889.9783 17687.7111 0.0000 0.0000 34091.2211 -149229.4101 297.7271 -183320.6312 -149132.2863 298.7207 21.1912 52.6696 557093.5564 2.2860 2.5201 PRESSURE: 4849600 -65.6498 -111.995 19.0681 -111.995 -24.567 101.216 19.0683 101.215 260.75 GPRESSURE: 4849600 -82.2142 -118.259 75.3125 -12.1787 86.284 123.787 -71.8419 69.8884 262.385 PRESSAVG: 4849600 25.485 -39.8004 13.4977 -39.8003 -50.6336 -22.2525 13.4978 -22.2525 5.67819 GPRESSAVG: 4849600 26.4088 -40.8961 13.8414 -38.5555 -51.0381 -21.2471 11.4943 -24.3428 5.19943 TIMING: 4849600 CPU: 14560.7, 0.00295555/step Wall: 14560.7, 0.00295555/step, 0.123476 hours remaining, 210.519531 MB of memory in use. ENERGY: 4849600 723.6811 2133.9344 1942.9238 120.3385 -205787.2702 17633.1279 0.0000 0.0000 34231.7310 -149001.5336 298.9542 -183233.2645 -148900.0012 299.4992 56.8445 88.8181 557211.7364 -6.4901 -6.4766 PRESSURE: 4849800 134.534 -39.2229 -13.2296 -39.2216 103.671 7.21739 -13.23 7.21798 -189.908 GPRESSURE: 4849800 124.143 -86.6834 66.2955 -12.9487 160.579 -19.2124 -93.5606 -37.7638 -135.357 PRESSAVG: 4849800 -67.7389 -86.6883 -54.3458 -86.6884 88.324 55.1708 -54.3458 55.1708 11.5773 GPRESSAVG: 4849800 -68.773 -87.9884 -57.626 -86.493 88.8269 56.5325 -51.4726 56.2375 11.6019 TIMING: 4849800 CPU: 14561.3, 0.00297682/step Wall: 14561.3, 0.00297682/step, 0.124199 hours remaining, 210.519531 MB of memory in use. ENERGY: 4849800 737.4888 2024.0944 1946.7912 107.8941 -206075.3035 17895.0356 0.0000 0.0000 34453.7964 -148910.2030 300.8936 -183363.9993 -148812.7512 300.2468 16.0991 49.7883 557077.8931 10.7208 10.5519 PRESSURE: 4850000 24.7839 69.4556 28.0517 69.4556 384.237 -36.9168 28.0502 -36.9172 193.081 GPRESSURE: 4850000 44.1464 -5.99985 -42.4924 106.447 403.863 -39.9484 5.97922 -73.4019 252.792 PRESSAVG: 4850000 35.014 30.8634 -22.961 30.8634 -54.955 8.23879 -22.9609 8.23874 3.6692 GPRESSAVG: 4850000 35.5037 31.8165 -21.1919 28.9309 -54.4666 7.61315 -23.1257 6.57968 2.79181 TIMING: 4850000 CPU: 14561.8, 0.00295533/step Wall: 14561.8, 0.00295533/step, 0.123139 hours remaining, 210.519531 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: 4850000 754.7638 2121.2790 1944.6965 114.2407 -206311.9062 18169.6977 0.0000 0.0000 34322.9947 -148884.2340 299.7512 -183207.2287 -148788.1357 300.7253 200.7005 233.6006 556919.2433 -5.4239 -5.3904 PRESSURE: 4850200 54.9149 160.414 -9.71346 160.413 4.92881 202.871 -9.71272 202.87 253.144 GPRESSURE: 4850200 82.397 193.19 11.9448 72.9608 60.5664 156.708 -6.47393 204.052 272.09 PRESSAVG: 4850200 -37.1303 34.5978 -15.0504 34.598 -32.368 6.64213 -15.0504 6.64213 20.3098 GPRESSAVG: 4850200 -36.4174 35.4816 -15.9014 34.2407 -33.2008 4.32938 -14.8645 8.29325 20.7023 TIMING: 4850200 CPU: 14562.4, 0.0029467/step Wall: 14562.4, 0.0029467/step, 0.122616 hours remaining, 210.519531 MB of memory in use. ENERGY: 4850200 745.4474 2091.1135 1966.0336 120.0221 -206156.1858 17991.2178 0.0000 0.0000 34317.0291 -148925.3222 299.6992 -183242.3513 -148833.8386 300.0456 104.3291 138.3511 558453.3181 -16.3962 -16.3053 PRESSURE: 4850400 16.1828 -14.708 161.424 -14.7091 -221.494 44.7257 161.424 44.7271 -260.45 GPRESSURE: 4850400 56.907 40.4044 194.611 3.55625 -172.109 129.141 75.0497 13.3827 -269.296 PRESSAVG: 4850400 12.7495 11.5919 19.9575 11.5919 35.5812 -7.20468 19.9575 -7.20474 -34.5527 GPRESSAVG: 4850400 12.2103 11.3438 19.9323 12.0332 36.2339 -7.21595 19.1032 -7.55013 -35.131 TIMING: 4850400 CPU: 14563, 0.00294437/step Wall: 14563, 0.00294437/step, 0.122355 hours remaining, 210.519531 MB of memory in use. ENERGY: 4850400 735.3456 2124.4644 1956.4034 103.9308 -206163.2877 17619.1897 0.0000 0.0000 34592.1311 -149031.8226 302.1017 -183623.9537 -148944.8397 299.9528 -155.2536 -128.1661 559725.4626 4.5927 4.4378 PRESSURE: 4850600 -19.2762 -7.2244 204.146 -7.22405 156.118 -227.623 204.146 -227.623 160.314 GPRESSURE: 4850600 20.9466 -51.8562 236.262 -44.0225 177.87 -223.242 171.983 -173.172 190.32 PRESSAVG: 4850600 -13.4453 -10.8964 12.0437 -10.8964 56.185 -20.8958 12.0436 -20.8956 -14.5289 GPRESSAVG: 4850600 -12.8363 -10.8169 11.7904 -12.3133 55.5659 -20.5878 12.2722 -23.4468 -14.5453 TIMING: 4850600 CPU: 14563.6, 0.00296599/step Wall: 14563.6, 0.00296599/step, 0.123089 hours remaining, 210.519531 MB of memory in use. ENERGY: 4850600 756.3312 2043.9740 1934.8049 99.6375 -206147.5932 17990.4154 0.0000 0.0000 34226.5783 -149095.8518 298.9092 -183322.4301 -148995.1278 300.1595 99.0519 129.7124 557995.1063 9.4036 9.3948 PRESSURE: 4850800 -162.074 -106.983 82.1221 -106.983 90.1475 -107.645 82.122 -107.644 -44.9029 GPRESSURE: 4850800 -102.411 -61.0722 41.8262 -111.002 98.0742 -52.1703 0.626915 -2.2477 -27.4947 PRESSAVG: 4850800 0.588207 -8.36649 52.9186 -8.3665 -12.9674 -6.64864 52.9186 -6.64867 17.902 GPRESSAVG: 4850800 -1.217 -9.18268 51.3992 -8.11921 -13.1251 -5.18844 51.8753 -4.94103 19.7746 TIMING: 4850800 CPU: 14564.2, 0.0029924/step Wall: 14564.2, 0.0029924/step, 0.124018 hours remaining, 210.519531 MB of memory in use. ENERGY: 4850800 736.0598 2128.4791 1939.2282 109.4676 -206202.5201 17792.9084 0.0000 0.0000 34242.9699 -149253.4071 299.0524 -183496.3770 -149162.0076 299.2926 -38.9432 -10.6104 556822.3346 1.8409 1.8108 PRESSURE: 4851000 205.319 15.9986 88.8253 15.9979 55.7919 -110.214 88.8257 -110.214 -36.1969 GPRESSURE: 4851000 234.256 -42.1068 73.8108 -6.30436 127.501 -157.91 150.191 -43.504 -38.4466 PRESSAVG: 4851000 38.4691 -8.69629 15.5021 -8.69638 -16.5452 -13.9065 15.5021 -13.9064 17.8153 GPRESSAVG: 4851000 39.0863 -10.4021 15.4077 -4.95016 -16.037 -15.0483 16.6269 -13.8055 16.5257 TIMING: 4851000 CPU: 14564.8, 0.00298715/step Wall: 14564.8, 0.00298715/step, 0.123635 hours remaining, 210.519531 MB of memory in use. ENERGY: 4851000 726.3072 2070.4341 1928.5452 102.4141 -206009.6588 17785.5799 0.0000 0.0000 34104.6452 -149291.7330 297.8443 -183396.3782 -149194.7042 298.9850 74.9712 107.7702 556546.6394 13.2464 13.1917 PRESSURE: 4851200 -22.2663 -183.758 14.3635 -183.758 -7.24145 -122.26 14.3637 -122.262 84.7445 GPRESSURE: 4851200 -16.1528 -177.982 -38.2714 -164.851 4.04986 -93.2947 52.5498 -124.46 158.69 PRESSAVG: 4851200 -44.0329 26.3849 -17.1116 26.385 53.5667 -0.103767 -17.1116 -0.103867 41.7307 GPRESSAVG: 4851200 -45.3591 26.6522 -16.248 27.611 55.9266 1.89773 -17.9855 -1.89272 40.6599 TIMING: 4851200 CPU: 14565.4, 0.00302395/step Wall: 14565.4, 0.00302395/step, 0.12499 hours remaining, 210.648438 MB of memory in use. ENERGY: 4851200 733.5415 2084.1148 1973.8301 108.0806 -206276.8057 17720.7158 0.0000 0.0000 34242.0081 -149414.5147 299.0440 -183656.5229 -149319.9162 298.7368 18.4123 48.8625 555592.9420 17.0882 17.0758 PRESSURE: 4851400 -236.222 -14.8958 -52.5575 -14.8966 -212.36 -21.2374 -52.5583 -21.2368 -270.652 GPRESSURE: 4851400 -219.331 -116.602 -36.8866 64.5147 -151.144 -86.9847 -52.6639 -10.8092 -246.178 PRESSAVG: 4851400 -60.5541 39.5676 -14.2831 39.5677 -28.5266 -65.4448 -14.2831 -65.4448 106.135 GPRESSAVG: 4851400 -58.2824 41.2697 -15.1106 35.2616 -30.3405 -67.5697 -14.3805 -63.3146 105.818 TIMING: 4851400 CPU: 14566, 0.00301269/step Wall: 14566, 0.00301269/step, 0.124357 hours remaining, 210.648438 MB of memory in use. ENERGY: 4851400 762.1032 2063.9886 1915.4097 107.0869 -206015.7052 17664.6382 0.0000 0.0000 34140.4750 -149362.0035 298.1573 -183502.4785 -149265.8437 298.3926 -239.7447 -205.5508 557914.4716 5.6847 5.7317 PRESSURE: 4851600 16.4781 -118.76 -94.4617 -118.76 26.3428 -29.4535 -94.4619 -29.4543 -46.1223 GPRESSURE: 4851600 23.9483 -61.9093 -88.0102 -131.376 70.058 -12.2804 -95.5021 -54.0851 7.22692 PRESSAVG: 4851600 31.324 -36.4044 -20.9942 -36.4045 -53.469 -8.50832 -20.9943 -8.50828 64.8899 GPRESSAVG: 4851600 29.5274 -36.6716 -18.1831 -35.4633 -53.4536 -9.07179 -20.3805 -9.01873 66.5434 TIMING: 4851600 CPU: 14566.6, 0.00297498/step Wall: 14566.6, 0.00297498/step, 0.122635 hours remaining, 210.648438 MB of memory in use. ENERGY: 4851600 734.6442 2066.4778 1951.6115 100.7195 -206452.9962 17868.5479 0.0000 0.0000 34438.8205 -149292.1749 300.7628 -183730.9953 -149192.5173 298.4405 -1.1004 33.7444 557429.4636 14.2483 14.2057 PRESSURE: 4851800 160.204 -5.02852 4.67116 -5.02873 -270.851 119.279 4.67169 119.278 163.99 GPRESSURE: 4851800 183.839 -2.12606 11.4486 -26.5945 -219.274 83.4299 2.96144 56.5309 190.472 PRESSAVG: 4851800 -46.4231 -27.4958 -25.7924 -27.4958 -32.0279 -14.3886 -25.7924 -14.3886 69.9884 GPRESSAVG: 4851800 -46.241 -26.6289 -26.0815 -29.0528 -31.8801 -15.4299 -26.1976 -15.0161 69.928 TIMING: 4851800 CPU: 14567.2, 0.00298192/step Wall: 14567.2, 0.00298192/step, 0.122756 hours remaining, 210.648438 MB of memory in use. ENERGY: 4851800 737.3411 2081.0415 1953.9419 104.3167 -206038.8325 17897.1166 0.0000 0.0000 34045.1297 -149219.9449 297.3246 -183265.0745 -149132.4059 299.1686 17.7809 51.6793 559602.2829 -2.8209 -2.7310 PRESSURE: 4852000 -26.2851 -57.1555 145.947 -57.1562 -137.247 132.392 145.946 132.392 -100.755 GPRESSURE: 4852000 78.8776 -32.5301 138.601 -153.596 -119.918 162.516 1.03007 86.3462 -128.115 PRESSAVG: 4852000 -14.1179 -48.356 63.2212 -48.3559 -70.9422 15.201 63.2212 15.2009 48.5967 GPRESSAVG: 4852000 -14.2114 -50.1192 62.3164 -48.1998 -70.4657 15.8982 61.797 15.7799 48.143 TIMING: 4852000 CPU: 14567.8, 0.00297618/step Wall: 14567.8, 0.00297618/step, 0.122354 hours remaining, 210.648438 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: 4852000 734.2082 2040.9226 1959.0562 105.1308 -205953.3967 17508.9637 0.0000 0.0000 34328.1000 -149277.0152 299.7958 -183605.1152 -149180.4448 298.7426 -88.0960 -56.3852 557401.4568 -12.1545 -12.1780 PRESSURE: 4852200 59.1535 -102.753 6.21204 -102.753 -90.7647 127.714 6.21168 127.714 30.5835 GPRESSURE: 4852200 73.1708 -26.1915 43.8375 -93.1552 -47.9825 89.3971 2.51226 139.031 77.4203 PRESSAVG: 4852200 -10.0751 41.2855 -0.546528 41.2855 38.9518 12.0717 -0.546572 12.0717 52.8313 GPRESSAVG: 4852200 -10.8866 41.5384 -0.200494 42.5722 39.1197 11.6732 -0.996501 11.2324 52.985 TIMING: 4852200 CPU: 14568.4, 0.00299447/step Wall: 14568.4, 0.00299447/step, 0.12294 hours remaining, 210.648438 MB of memory in use. ENERGY: 4852200 699.9024 2046.7991 1954.4326 111.9440 -206087.8634 17691.8729 0.0000 0.0000 34250.2147 -149332.6977 299.1156 -183582.9124 -149236.4097 298.7300 -0.3425 34.2029 556523.8092 27.2360 27.0727 LDB: ============= START OF LOAD BALANCING ============== 14571.9 LDB: ============== END OF LOAD BALANCING =============== 14571.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14571.9 LDB: ============= START OF LOAD BALANCING ============== 14572.2 LDB: Largest compute 4774 load 0.025992 is 22.0% of average load 0.118298 LDB: Average compute 0.001721 is 1.5% of average load 0.118298 LDB: TIME 14572.2 LOAD: AVG 0.118298 MAX 0.213674 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.332 MB LDB: TIME 14572.2 LOAD: AVG 0.118298 MAX 0.213674 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.332 MB LDB: TIME 14572.2 LOAD: AVG 0.118298 MAX 0.213674 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.332 MB LDB: ============== END OF LOAD BALANCING =============== 14572.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14572.2 PRESSURE: 4852400 -116.402 32.3823 -70.0901 32.3827 -187.943 136.572 -70.0892 136.571 -195.724 GPRESSURE: 4852400 -124.957 100.296 -119.198 23.3657 -140.078 156.562 -54.2272 97.5293 -140.726 PRESSAVG: 4852400 -9.18543 5.21946 -12.2867 5.21943 -27.7689 38.8062 -12.2866 38.8062 -27.9152 GPRESSAVG: 4852400 -8.00533 8.45822 -16.5979 4.89783 -28.6994 39.7903 -9.16297 37.731 -28.107 TIMING: 4852400 CPU: 14569, 0.00304224/step Wall: 14569, 0.00304224/step, 0.124732 hours remaining, 209.234375 MB of memory in use. ENERGY: 4852400 756.2946 2076.7976 1938.8211 100.6643 -205861.0618 17645.8238 0.0000 0.0000 34073.3896 -149269.2707 297.5714 -183342.6603 -149176.2573 299.0009 -166.6894 -135.2536 557453.8833 -21.6232 -21.6039 PRESSURE: 4852600 -188.878 -23.3231 -132.318 -23.3223 6.80625 -20.0562 -132.319 -20.0569 -122.689 GPRESSURE: 4852600 -130.25 -46.0503 -78.0235 -48.7677 -0.108344 -39.5991 -201.687 -19.3068 -77.0941 PRESSAVG: 4852600 11.8022 44.4951 7.32847 44.4951 12.7951 8.54137 7.32855 8.54137 4.94351 GPRESSAVG: 4852600 11.7059 40.632 10.6356 45.2844 12.8044 6.96995 5.13235 8.63492 5.42361 TIMING: 4852600 CPU: 14569.6, 0.00298921/step Wall: 14569.6, 0.00298921/step, 0.122392 hours remaining, 209.234375 MB of memory in use. ENERGY: 4852600 743.3859 2115.5005 1929.3100 111.9506 -206006.8726 17687.5882 0.0000 0.0000 34040.5126 -149378.6249 297.2843 -183419.1375 -149274.1812 298.5152 -101.5866 -69.1507 557304.4472 9.8469 9.9780 PRESSURE: 4852800 -103.472 -75.1561 -82.7286 -75.1566 102.138 -118.317 -82.7273 -118.318 73.9542 GPRESSURE: 4852800 -77.972 -38.3166 -56.8139 -145.856 99.3115 -65.34 -57.6414 -76.1943 147.576 PRESSAVG: 4852800 5.29873 13.0959 -14.8702 13.096 23.4974 -29.3132 -14.8702 -29.3133 4.58198 GPRESSAVG: 4852800 4.82443 15.5075 -16.0463 11.2812 24.2993 -29.216 -11.8068 -28.5739 4.27178 TIMING: 4852800 CPU: 14570.2, 0.00299465/step Wall: 14570.2, 0.00299465/step, 0.122448 hours remaining, 209.234375 MB of memory in use. ENERGY: 4852800 726.6908 2006.2573 1930.7098 110.1085 -205952.7381 17555.8655 0.0000 0.0000 34149.8436 -149473.2627 298.2391 -183623.1063 -149377.2130 298.5527 24.2068 56.3053 555638.2265 11.1261 11.1318 PRESSURE: 4853000 43.644 35.1373 84.2187 35.1379 173.249 176.195 84.2201 176.197 -40.563 GPRESSURE: 4853000 64.6411 18.8501 91.4551 47.6311 164.276 174.056 -9.97743 135.067 35.847 PRESSAVG: 4853000 24.8673 -12.4257 -4.95823 -12.4258 -38.2494 34.5185 -4.95831 34.5184 19.5231 GPRESSAVG: 4853000 25.3272 -13.1381 -4.97 -11.841 -38.8286 35.7802 -6.80588 34.5414 19.4181 TIMING: 4853000 CPU: 14570.8, 0.00299155/step Wall: 14570.8, 0.00299155/step, 0.122155 hours remaining, 209.437500 MB of memory in use. ENERGY: 4853000 734.7090 2008.4938 1941.7182 101.9798 -206128.3055 17858.7502 0.0000 0.0000 34166.4444 -149316.2101 298.3841 -183482.6546 -149224.3869 298.9582 58.7766 88.2548 556457.7287 2.0470 1.9722 PRESSURE: 4853200 65.1801 121.966 -49.3197 121.966 -38.2859 -5.15314 -49.3188 -5.15169 242.69 GPRESSURE: 4853200 104.57 145.526 -72.4222 82.0832 20.2417 -5.36397 -24.5102 50.4449 255.744 PRESSAVG: 4853200 5.21357 23.5457 -38.509 23.5458 -18.9134 23.5571 -38.5089 23.5572 21.0612 GPRESSAVG: 4853200 4.73908 24.1359 -38.7559 23.4478 -18.1612 20.8834 -39.9392 26.1463 21.3175 TIMING: 4853200 CPU: 14571.4, 0.00299721/step Wall: 14571.4, 0.00299721/step, 0.12222 hours remaining, 209.437500 MB of memory in use. ENERGY: 4853200 711.5504 2054.2636 1952.2499 109.2765 -206401.1857 17923.0723 0.0000 0.0000 34377.3988 -149273.3742 300.2264 -183650.7730 -149173.8480 298.4213 89.8614 126.8520 557096.2978 2.4538 2.6318 PRESSURE: 4853400 72.2516 -137.184 -2.30969 -137.186 -174.924 64.8409 -2.31031 64.8401 -39.4708 GPRESSURE: 4853400 90.6582 -76.511 -84.0277 -186.949 -127.824 99.2761 -22.2529 87.5112 -19.8163 PRESSAVG: 4853400 -0.936837 5.19485 -7.8889 5.19487 -10.5435 45.2206 -7.88883 45.2205 9.99224 GPRESSAVG: 4853400 -0.248723 4.91762 -8.82636 4.36367 -10.8557 48.6377 -8.29913 42.4732 9.7462 TIMING: 4853400 CPU: 14572, 0.00299954/step Wall: 14572, 0.00299954/step, 0.122148 hours remaining, 209.437500 MB of memory in use. ENERGY: 4853400 718.3010 2121.2127 1941.7104 107.1182 -206242.3821 17745.3747 0.0000 0.0000 34323.6243 -149285.0407 299.7567 -183608.6650 -149185.1468 298.5375 -47.3811 -18.9940 558149.3315 -0.4960 -0.4527 PRESSURE: 4853600 -218.537 96.0412 21.3898 96.0409 38.0787 106.027 21.3897 106.028 -59.8385 GPRESSURE: 4853600 -139.099 60.3972 45.801 133.42 39.6908 69.9232 -6.27483 165.866 -38.6422 PRESSAVG: 4853600 15.0106 31.5529 -75.1619 31.5529 -7.6042 -31.7795 -75.1618 -31.7795 18.6449 GPRESSAVG: 4853600 15.4928 30.7943 -72.3782 31.8793 -8.24538 -31.8484 -76.4508 -33.5101 18.5537 TIMING: 4853600 CPU: 14572.6, 0.00295725/step Wall: 14572.6, 0.00295725/step, 0.120262 hours remaining, 209.437500 MB of memory in use. ENERGY: 4853600 743.5696 2038.1561 1939.0788 106.1174 -206055.6441 17585.6112 0.0000 0.0000 34433.5200 -149209.5911 300.7165 -183643.1111 -149104.1603 298.7354 -80.0991 -46.0168 556490.0814 8.6838 8.6004 PRESSURE: 4853800 -372.639 -78.7984 40.9055 -78.7997 -212.322 101.894 40.905 101.896 -230.119 GPRESSURE: 4853800 -370.826 -59.3587 104.392 -55.7118 -175.79 5.75611 23.2626 74.0894 -165.59 PRESSAVG: 4853800 18.0865 -4.27431 -32.8256 -4.27428 -33.8421 -13.9757 -32.8257 -13.9758 20.0401 GPRESSAVG: 4853800 17.4325 -3.23068 -33.8431 -4.31719 -33.8155 -14.1659 -29.9902 -11.8371 21.1375 TIMING: 4853800 CPU: 14573.2, 0.00298678/step Wall: 14573.2, 0.00298678/step, 0.121296 hours remaining, 209.437500 MB of memory in use. ENERGY: 4853800 754.8218 2052.5156 1967.3340 118.4225 -205627.2121 17428.8109 0.0000 0.0000 34100.5465 -149204.7609 297.8086 -183305.3074 -149104.1011 299.3125 -271.6932 -237.4019 559099.3706 1.4282 1.5849 PRESSURE: 4854000 240.461 17.7582 116.439 17.7584 246.162 203.748 116.439 203.748 120.985 GPRESSURE: 4854000 268.214 -31.3176 64.3855 3.61302 282.069 285.089 101.114 107.374 157.57 PRESSAVG: 4854000 -40.9285 -16.1621 -6.4612 -16.1621 5.43601 60.1399 -6.46122 60.1399 29.2478 GPRESSAVG: 4854000 -40.7032 -15.1168 -7.27354 -15.8439 5.22926 59.9189 -7.25827 59.0734 28.8589 TIMING: 4854000 CPU: 14573.8, 0.00300715/step Wall: 14573.8, 0.00300715/step, 0.121957 hours remaining, 209.437500 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: 4854000 732.0509 2016.2505 1947.2476 114.6174 -206567.1672 18115.2665 0.0000 0.0000 34407.1209 -149234.6134 300.4859 -183641.7343 -149135.7855 298.9486 202.5362 235.9507 555760.0298 -2.0815 -2.2050 PRESSURE: 4854200 -25.78 20.8396 -106.551 20.8394 94.4781 33.352 -106.551 33.351 -406.001 GPRESSURE: 4854200 31.0071 -15.4502 -56.9863 91.4703 98.7995 38.4154 -98.3293 -18.8667 -389.17 PRESSAVG: 4854200 -13.793 13.3228 46.6804 13.3228 -23.161 -10.7923 46.6804 -10.7923 43.7338 GPRESSAVG: 4854200 -14.2895 11.9132 49.5778 13.8819 -22.3476 -12.3939 46.3933 -9.39475 43.3709 TIMING: 4854200 CPU: 14574.4, 0.00301404/step Wall: 14574.4, 0.00301404/step, 0.122069 hours remaining, 209.437500 MB of memory in use. ENERGY: 4854200 703.5238 2084.7007 1947.7071 117.9706 -206056.3281 17591.2419 0.0000 0.0000 34328.0600 -149283.1239 299.7955 -183611.1840 -149191.3914 298.8300 -112.4342 -86.4543 558087.8580 2.2599 2.2446 PRESSURE: 4854400 288.728 22.1391 51.0795 22.1397 -203.253 0.697501 51.0789 0.695492 49.2893 GPRESSURE: 4854400 244.275 8.70133 107.265 26.1806 -156.885 19.3171 -55.0289 61.6369 136.599 PRESSAVG: 4854400 -0.976315 11.8244 -12.3061 11.8244 5.16925 40.0194 -12.3061 40.0195 -5.07993 GPRESSAVG: 4854400 -1.42827 11.5696 -11.7646 10.0654 4.9337 39.4492 -13.872 38.4929 -4.36099 TIMING: 4854400 CPU: 14575, 0.00303909/step Wall: 14575, 0.00303909/step, 0.122914 hours remaining, 209.437500 MB of memory in use. ENERGY: 4854400 771.6754 2063.5183 1918.6431 114.3511 -206414.1746 17967.5026 0.0000 0.0000 34300.6939 -149277.7901 299.5565 -183578.4841 -149186.0796 299.4296 44.9213 74.6627 556922.0133 -0.2957 -0.2852 PRESSURE: 4854600 59.16 28.6323 -50.761 28.6336 -164.708 0.505039 -50.7609 0.5052 46.6971 GPRESSURE: 4854600 104.458 -36.1303 43.1392 82.0217 -73.9478 44.808 -202.095 -33.2189 2.53885 PRESSAVG: 4854600 16.5837 -3.06121 -51.7477 -3.06111 -54.3491 52.5673 -51.7477 52.5673 65.4355 GPRESSAVG: 4854600 17.2759 -1.88811 -53.7103 -2.54448 -55.0563 53.6828 -50.4058 54.8045 65.154 TIMING: 4854600 CPU: 14575.6, 0.00302194/step Wall: 14575.6, 0.00302194/step, 0.122053 hours remaining, 209.437500 MB of memory in use. ENERGY: 4854600 754.5761 2101.9176 1920.9123 115.3260 -206294.4422 17896.2998 0.0000 0.0000 34359.5119 -149145.8984 300.0702 -183505.4103 -149051.3832 299.3492 -19.6170 11.0164 556666.4309 9.2234 9.1245 PRESSURE: 4854800 23.7429 -6.15351 -16.0028 -6.15469 -89.5187 36.2621 -16.0024 36.2595 37.4475 GPRESSURE: 4854800 76.3852 10.0546 -46.7905 24.9079 -88.0628 -41.4666 -66.0166 89.2093 76.2754 PRESSAVG: 4854800 -6.67471 18.6839 4.36669 18.684 -18.8219 -6.10093 4.36664 -6.10105 39.7524 GPRESSAVG: 4854800 -6.62657 17.7033 1.90549 20.5813 -18.6515 -4.56013 4.22906 -7.25294 39.9544 TIMING: 4854800 CPU: 14576.2, 0.00298506/step Wall: 14576.2, 0.00298506/step, 0.120397 hours remaining, 209.437500 MB of memory in use. ENERGY: 4854800 742.3623 2107.2586 1961.2831 112.0017 -206147.8882 17779.7854 0.0000 0.0000 34283.0475 -149162.1496 299.4024 -183445.1971 -149067.7256 299.7052 -9.4428 21.5326 556661.9208 4.7519 4.8921 PRESSURE: 4855000 -63.7736 123.522 -10.0713 123.522 138.24 14.823 -10.071 14.8234 266.965 GPRESSURE: 4855000 30.4972 98.4252 -31.9518 91.7851 145.448 3.67874 45.6084 11.4504 261.782 PRESSAVG: 4855000 25.4 3.94644 -9.72788 3.94649 -14.2978 -11.3447 -9.72791 -11.3448 4.00094 GPRESSAVG: 4855000 26.4007 4.07842 -6.80076 2.96734 -13.8906 -11.3785 -9.0961 -12.2933 2.73002 TIMING: 4855000 CPU: 14576.8, 0.00297289/step Wall: 14576.8, 0.00297289/step, 0.119741 hours remaining, 209.437500 MB of memory in use. ENERGY: 4855000 747.1518 2120.8254 1933.8986 115.2917 -206553.6218 18031.4171 0.0000 0.0000 34312.9589 -149292.0783 299.6636 -183605.0372 -149195.0553 299.5400 113.8107 145.9090 556433.8691 5.0344 5.0801 PRESSURE: 4855200 -75.4296 72.0008 91.2554 72.0022 -163.297 25.059 91.2537 25.0583 -49.0549 GPRESSURE: 4855200 -17.4765 81.8361 55.9054 65.0032 -141.728 -47.4093 110.926 -29.5857 -24.3863 PRESSAVG: 4855200 43.4867 55.4155 -43.9003 55.4156 -11.6687 -52.702 -43.9003 -52.702 -9.29283 GPRESSAVG: 4855200 42.784 54.7628 -45.1131 58.2453 -11.5925 -53.3333 -44.1948 -52.6401 -9.10087 TIMING: 4855200 CPU: 14577.4, 0.00300842/step Wall: 14577.4, 0.00300842/step, 0.121006 hours remaining, 209.437500 MB of memory in use. ENERGY: 4855200 745.6357 2047.2191 1954.0661 119.8544 -205916.2316 17659.2655 0.0000 0.0000 34242.3688 -149147.8220 299.0471 -183390.1908 -149044.8044 298.8917 -95.9272 -61.1971 557753.0122 7.5084 7.3635 PRESSURE: 4855400 152.351 -11.8626 68.9698 -11.8631 -133.206 8.97428 68.9691 8.97419 -76.9663 GPRESSURE: 4855400 162.271 -116.431 54.3406 13.1953 -92.5674 -57.4397 69.9436 35.923 -30.432 PRESSAVG: 4855400 -58.7559 -20.3029 48.5483 -20.3029 29.0543 8.97257 48.5484 8.97242 16.6077 GPRESSAVG: 4855400 -59.6527 -19.7615 49.8501 -23.1531 30.183 7.50399 48.5243 9.28523 16.3771 TIMING: 4855400 CPU: 14578, 0.00296139/step Wall: 14578, 0.00296139/step, 0.118949 hours remaining, 209.437500 MB of memory in use. ENERGY: 4855400 782.0211 2091.8674 1927.7021 108.1286 -206518.3675 17996.6286 0.0000 0.0000 34198.4284 -149413.5912 298.6634 -183612.0196 -149319.2004 299.5551 -19.2735 13.0905 557713.5021 -4.3647 -4.3642 PRESSURE: 4855600 -123.48 -42.6665 -153.89 -42.6658 -64.7585 39.7318 -153.891 39.7302 266.078 GPRESSURE: 4855600 -73.7385 -155.014 -210.122 39.292 -15.1869 94.5956 -102.558 -18.5829 270.131 PRESSAVG: 4855600 -35.591 1.80915 76.3753 1.8091 -6.57246 -50.7333 76.3753 -50.7333 5.45587 GPRESSAVG: 4855600 -34.7748 3.17316 75.7123 1.16596 -8.04719 -49.4666 74.7363 -51.8756 6.46385 TIMING: 4855600 CPU: 14578.6, 0.00294477/step Wall: 14578.6, 0.00294477/step, 0.118118 hours remaining, 209.437500 MB of memory in use. ENERGY: 4855600 744.0434 2104.1831 1931.8709 117.0582 -206435.1192 17949.3163 0.0000 0.0000 34344.8738 -149243.7736 299.9423 -183588.6474 -149149.1826 298.6416 25.9465 60.4019 557742.4847 -12.2359 -12.1194 PRESSURE: 4855800 275.772 -73.6351 73.5213 -73.6336 254.757 38.5134 73.522 38.5126 187.187 GPRESSURE: 4855800 298.458 -48.8288 169.59 -58.5791 298.196 9.53773 22.0986 -27.8725 199.384 PRESSAVG: 4855800 -23.8476 -4.62484 23.526 -4.62492 62.2781 11.5688 23.526 11.569 -19.9172 GPRESSAVG: 4855800 -24.6837 -3.57825 23.3341 -4.41475 63.7754 11.2678 23.5315 12.9088 -21.1888 TIMING: 4855800 CPU: 14579.2, 0.00294353/step Wall: 14579.2, 0.00294353/step, 0.117905 hours remaining, 209.437500 MB of memory in use. ENERGY: 4855800 724.7488 2103.0601 1926.2805 109.2406 -205995.2652 17840.2686 0.0000 0.0000 34140.9718 -149150.6949 298.1616 -183291.6667 -149051.9994 299.9428 239.2388 265.3461 556784.1500 6.1711 5.9676 PRESSURE: 4856000 67.3897 29.5978 166.535 29.5983 62.9472 -66.7794 166.534 -66.7795 -296.925 GPRESSURE: 4856000 76.798 76.5188 147.161 25.2801 116.165 -103.366 166.318 -21.3071 -263.696 PRESSAVG: 4856000 30.0246 -34.6162 15.8268 -34.6162 9.62723 -9.68518 15.8269 -9.68532 -40.6438 GPRESSAVG: 4856000 31.5252 -36.7248 16.7432 -33.6878 7.74533 -8.87597 16.6699 -11.2201 -39.9861 TIMING: 4856000 CPU: 14579.8, 0.00295159/step Wall: 14579.8, 0.00295159/step, 0.118064 hours remaining, 209.437500 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: 4856000 761.2319 2107.0905 1945.3827 109.3440 -206009.3138 17706.8859 0.0000 0.0000 34250.2857 -149129.0930 299.1163 -183379.3787 -149029.6445 299.9665 -55.5293 -23.5776 557273.8097 -0.3307 -0.2385 PRESSURE: 4856200 -156.047 144.253 119.064 144.253 -151.876 32.1584 119.065 32.1604 -177.292 GPRESSURE: 4856200 -74.6453 196.914 120.14 49.2051 -86.8998 59.0637 101.125 -33.1755 -238.309 PRESSAVG: 4856200 -21.3635 26.9348 -27.446 26.9349 49.5506 -5.1598 -27.4459 -5.15983 -7.16329 GPRESSAVG: 4856200 -20.7912 26.3801 -28.883 26.962 50.4817 -5.85686 -26.7233 -2.74196 -8.387 TIMING: 4856200 CPU: 14580.4, 0.00299445/step Wall: 14580.4, 0.00299445/step, 0.119612 hours remaining, 209.437500 MB of memory in use. ENERGY: 4856200 768.1233 2115.3127 1974.9690 127.6740 -206047.7387 17725.5510 0.0000 0.0000 34107.0841 -149229.0246 297.8656 -183336.1087 -149132.9054 299.4587 -161.7385 -133.2845 558400.7376 7.0080 7.1012 LDB: ============= START OF LOAD BALANCING ============== 14583.9 LDB: ============== END OF LOAD BALANCING =============== 14583.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14583.9 LDB: ============= START OF LOAD BALANCING ============== 14584.2 LDB: Largest compute 4773 load 0.026142 is 22.1% of average load 0.118292 LDB: Average compute 0.001715 is 1.4% of average load 0.118292 LDB: TIME 14584.2 LOAD: AVG 0.118292 MAX 0.213837 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.574 MB LDB: TIME 14584.2 LOAD: AVG 0.118292 MAX 0.213837 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.578 MB LDB: TIME 14584.2 LOAD: AVG 0.118292 MAX 0.213837 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.578 MB LDB: ============== END OF LOAD BALANCING =============== 14584.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14584.2 PRESSURE: 4856400 108.127 -111.667 258.434 -111.665 -12.1981 136.448 258.433 136.447 1.65396 GPRESSURE: 4856400 94.8763 -121.263 248.193 -145.357 10.6961 69.494 242.562 121.983 80.9307 PRESSAVG: 4856400 3.80316 -45.9931 28.268 -45.9931 26.6037 1.63511 28.2681 1.6351 -27.2203 GPRESSAVG: 4856400 3.18229 -45.4285 29.5018 -45.4126 27.7192 2.7489 28.7401 1.0995 -27.5984 TIMING: 4856400 CPU: 14581, 0.0030346/step Wall: 14581, 0.0030346/step, 0.121047 hours remaining, 210.453125 MB of memory in use. ENERGY: 4856400 761.5882 2076.7912 1933.2025 112.0907 -206134.0237 17770.3342 0.0000 0.0000 34338.4808 -149141.5360 299.8865 -183480.0169 -149035.7195 299.4212 32.5275 62.1677 557924.9587 1.0622 1.1010 PRESSURE: 4856600 49.9763 -33.0832 62.8946 -33.0848 -149.487 -117.199 62.8952 -117.199 -148.516 GPRESSURE: 4856600 95.9556 -39.2165 110.45 110.768 -113.539 -52.6458 47.0741 -119.149 -121.28 PRESSAVG: 4856600 29.9684 -13.6789 3.60771 -13.6789 -26.0081 -39.9107 3.60764 -39.9108 20.6385 GPRESSAVG: 4856600 29.0157 -12.5018 2.48377 -15.7191 -27.2514 -40.318 2.85158 -40.8376 22.1358 TIMING: 4856600 CPU: 14581.6, 0.00297242/step Wall: 14581.6, 0.00297242/step, 0.118401 hours remaining, 210.714844 MB of memory in use. ENERGY: 4856600 768.6000 2065.1146 1934.1230 111.5377 -206011.8356 17705.2358 0.0000 0.0000 34348.8186 -149078.4059 299.9768 -183427.2245 -148974.1563 299.2739 -82.6756 -46.2879 557331.2911 8.1996 7.9667 PRESSURE: 4856800 -237.576 59.3087 -28.7111 59.3077 -29.2007 -101.747 -28.7109 -101.745 -208.64 GPRESSURE: 4856800 -208.953 166.102 -30.0099 -6.63012 20.9672 -228.836 -98.4396 -80.2849 -183.658 PRESSAVG: 4856800 19.8786 39.9131 -4.44073 39.9131 -40.598 -64.4817 -4.44066 -64.4817 21.2302 GPRESSAVG: 4856800 19.2795 39.8805 -3.10491 41.2454 -39.181 -64.9684 -5.69396 -62.9655 20.0939 TIMING: 4856800 CPU: 14582.2, 0.00299717/step Wall: 14582.2, 0.00299717/step, 0.119221 hours remaining, 210.714844 MB of memory in use. ENERGY: 4856800 754.4284 2101.7368 1927.8840 106.4856 -205688.6919 17565.4892 0.0000 0.0000 34416.2572 -148816.4107 300.5657 -183232.6679 -148720.6452 299.7046 -158.4722 -123.8812 557776.3961 0.1703 0.0641 PRESSURE: 4857000 -18.6431 -26.8818 -124.243 -26.8808 -22.0032 -60.7982 -124.242 -60.7981 49.3659 GPRESSURE: 4857000 3.32023 -18.3051 -172.578 -40.4645 20.9509 -66.2763 -172.959 -42.1552 88.3061 PRESSAVG: 4857000 11.7557 8.94127 -10.8978 8.94129 -19.0565 16.8322 -10.8979 16.8323 -2.12195 GPRESSAVG: 4857000 12.2839 8.92156 -13.6393 7.14815 -21.1501 17.1452 -8.34676 15.6353 -1.33442 TIMING: 4857000 CPU: 14582.8, 0.00296239/step Wall: 14582.8, 0.00296239/step, 0.117673 hours remaining, 210.714844 MB of memory in use. ENERGY: 4857000 743.1308 2054.6416 1939.3223 111.4520 -205704.8834 17698.7169 0.0000 0.0000 34389.1209 -148768.4988 300.3287 -183157.6197 -148665.5926 300.8384 2.9065 37.5257 558508.1287 -3.1409 -3.4002 PRESSURE: 4857200 -115.529 -48.764 19.7044 -48.7639 257.685 187.879 19.7043 187.88 -84.0459 GPRESSURE: 4857200 -64.273 -88.4543 -36.0964 -87.1991 240.407 158.744 29.5637 128.548 -14.0252 PRESSAVG: 4857200 27.5626 -65.1635 -0.433035 -65.1636 -52.9816 -30.9673 -0.432994 -30.9673 25.4122 GPRESSAVG: 4857200 27.5998 -66.2231 3.00717 -64.4397 -52.661 -30.4052 -2.51818 -30.5578 25.3153 TIMING: 4857200 CPU: 14583.4, 0.00296747/step Wall: 14583.4, 0.00296747/step, 0.11771 hours remaining, 210.714844 MB of memory in use. ENERGY: 4857200 731.5671 2091.2646 1923.5763 112.8309 -205787.6283 17712.5252 0.0000 0.0000 34284.3992 -148931.4650 299.4142 -183215.8642 -148826.1610 300.0932 19.3701 54.0364 558103.5725 -0.0023 0.0847 PRESSURE: 4857400 85.142 50.7287 -43.637 50.7279 174.781 -143.54 -43.6363 -143.538 13.9387 GPRESSURE: 4857400 153.67 66.7709 5.71602 66.2062 223.647 -180.662 -59.5106 -165.512 -3.16618 PRESSAVG: 4857400 7.42509 -1.27996 -17.833 -1.27995 -36.4436 -11.1821 -17.833 -11.1821 25.702 GPRESSAVG: 4857400 6.23803 -2.22705 -19.293 -0.386398 -35.0512 -12.6877 -14.3217 -11.4094 25.8905 TIMING: 4857400 CPU: 14583.9, 0.00295985/step Wall: 14583.9, 0.00295985/step, 0.117243 hours remaining, 210.714844 MB of memory in use. ENERGY: 4857400 762.4753 2144.5281 1934.3619 115.6938 -206464.7671 18036.8993 0.0000 0.0000 34396.5476 -149074.2611 300.3936 -183470.8087 -148982.0680 299.7111 91.2873 124.7171 558199.0193 -1.1055 -0.9742 PRESSURE: 4857600 192.615 72.9012 -82.4364 72.9015 -40.8518 185.465 -82.4345 185.466 60.0331 GPRESSURE: 4857600 168.76 94.1244 -160.544 42.6571 33.5295 250.195 -79.5075 105.731 97.1239 PRESSAVG: 4857600 -16.4589 -23.7149 -36.9674 -23.7149 43.0783 -81.3334 -36.9674 -81.3335 -25.3691 GPRESSAVG: 4857600 -16.0436 -22.9892 -39.4245 -22.768 42.3982 -79.1071 -40.4934 -80.3402 -25.1937 TIMING: 4857600 CPU: 14584.5, 0.00298619/step Wall: 14584.5, 0.00298619/step, 0.118121 hours remaining, 210.714844 MB of memory in use. ENERGY: 4857600 727.3774 2064.6176 1939.6047 102.8317 -206086.9640 17948.3687 0.0000 0.0000 34251.8395 -149052.3244 299.1298 -183304.1638 -148952.6742 299.7405 70.5987 99.8044 559484.7247 0.4168 0.3870 PRESSURE: 4857800 -59.1333 -51.8011 42.6939 -51.8016 73.1184 -134.151 42.6925 -134.151 19.8603 GPRESSURE: 4857800 -23.9593 -78.0112 71.884 -44.4349 51.2113 -104.142 36.4672 -152.265 107.655 PRESSAVG: 4857800 -43.9581 -43.4516 -21.0005 -43.4516 -16.6117 -31.2706 -21.0005 -31.2706 49.0071 GPRESSAVG: 4857800 -43.56 -41.8042 -18.1238 -44.3925 -17.1245 -31.7453 -20.8579 -30.1678 48.568 TIMING: 4857800 CPU: 14585.1, 0.00295936/step Wall: 14585.1, 0.00295936/step, 0.116895 hours remaining, 210.714844 MB of memory in use. ENERGY: 4857800 707.5265 2099.0259 1912.2041 107.6054 -206235.4261 17942.3944 0.0000 0.0000 34260.9798 -149205.6900 299.2097 -183466.6698 -149105.3076 300.0600 11.2818 44.9690 558056.2765 -3.8542 -4.0388 PRESSURE: 4858000 -349.335 62.5347 36.8773 62.5343 -237.315 -1.70719 36.8775 -1.70677 -389.582 GPRESSURE: 4858000 -350.469 10.6931 33.2715 30.6194 -226.715 -46.0123 27.405 3.91102 -307.763 PRESSAVG: 4858000 -42.364 28.2226 26.8564 28.2226 -16.9941 -17.7999 26.8564 -17.8 43.6342 GPRESSAVG: 4858000 -42.5318 28.1737 26.9419 26.3013 -16.6624 -18.4803 27.6006 -20.6097 44.058 TIMING: 4858000 CPU: 14585.7, 0.00296344/step Wall: 14585.7, 0.00296344/step, 0.116891 hours remaining, 210.714844 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: 4858000 780.1208 2089.4290 1916.4421 93.8371 -205853.8308 17491.0884 0.0000 0.0000 34273.8252 -149209.0883 299.3218 -183482.9135 -149109.0124 298.7434 -325.4110 -294.9821 556725.0137 -5.2413 -5.0454 PRESSURE: 4858200 159.395 -19.2417 -195.391 -19.2413 5.53237 137.406 -195.392 137.406 64.6863 GPRESSURE: 4858200 224.648 34.0421 -143.266 -53.3687 9.6612 99.402 -260.264 87.8478 89.9251 PRESSAVG: 4858200 -39.3492 -26.95 54.0019 -26.95 -27.5027 24.4785 54.002 24.4785 75.0148 GPRESSAVG: 4858200 -38.6746 -28.1914 54.2745 -23.8748 -27.4414 25.6403 53.6604 25.3036 74.0572 TIMING: 4858200 CPU: 14586.3, 0.0029721/step Wall: 14586.3, 0.0029721/step, 0.117068 hours remaining, 210.714844 MB of memory in use. ENERGY: 4858200 732.9243 2124.7354 1947.5757 110.2639 -206102.5204 17815.2743 0.0000 0.0000 34308.4260 -149063.3210 299.6240 -183371.7469 -148975.4847 299.7840 76.5380 108.0780 556456.3457 2.7210 2.6471 PRESSURE: 4858400 53.7078 112.603 225.796 112.603 -178.019 10.4998 225.796 10.4998 209.315 GPRESSURE: 4858400 37.8556 52.4602 255.415 169.778 -149.019 -33.2155 157.119 -9.10756 288.281 PRESSAVG: 4858400 -0.872203 -2.63204 -11.1264 -2.63197 -19.8411 -11.87 -11.1264 -11.87 3.99091 GPRESSAVG: 4858400 -2.01647 -3.9874 -11.1974 -2.1608 -19.346 -14.3625 -10.774 -10.7904 4.27167 TIMING: 4858400 CPU: 14586.9, 0.00298322/step Wall: 14586.9, 0.00298322/step, 0.11734 hours remaining, 210.714844 MB of memory in use. ENERGY: 4858400 728.0869 2080.8939 1934.3704 106.6862 -205850.1828 17747.8874 0.0000 0.0000 34144.9553 -149107.3027 298.1964 -183252.2580 -149008.8613 299.1263 28.3345 59.0393 556798.0741 -5.5741 -5.6969 PRESSURE: 4858600 -51.1006 56.9741 119.14 56.9734 -170.176 -69.682 119.14 -69.6836 -181.116 GPRESSURE: 4858600 -48.3378 -4.11954 126.896 171.23 -128.237 -108.538 133.053 -73.5704 -138.095 PRESSAVG: 4858600 -19.6753 36.7492 47.2886 36.7493 -37.2353 -54.6979 47.2887 -54.698 -9.68011 GPRESSAVG: 4858600 -18.8788 38.2115 45.4606 34.5944 -37.9056 -55.6716 48.5927 -54.7699 -9.92028 TIMING: 4858600 CPU: 14587.5, 0.00299563/step Wall: 14587.5, 0.00299563/step, 0.117662 hours remaining, 210.714844 MB of memory in use. ENERGY: 4858600 746.6346 2121.1344 1945.6016 115.2503 -205826.3393 17650.3010 0.0000 0.0000 34032.5519 -149214.8654 297.2147 -183247.4173 -149128.9067 299.6052 -134.1308 -104.8899 558734.0945 -22.1969 -22.2349 PRESSURE: 4858800 -34.738 80.2305 121.242 80.2331 -90.4003 -128.216 121.242 -128.219 19.6887 GPRESSURE: 4858800 1.06278 164.083 116.931 93.8048 -6.16111 -66.478 42.6362 -90.1028 -2.04416 PRESSAVG: 4858800 4.04238 60.5878 7.31919 60.5877 21.9071 -72.046 7.31923 -72.0461 18.4578 GPRESSAVG: 4858800 3.27853 58.9095 9.38616 61.0748 22.4364 -71.4061 6.10934 -73.0576 18.6088 TIMING: 4858800 CPU: 14588.1, 0.00296406/step Wall: 14588.1, 0.00296406/step, 0.116257 hours remaining, 210.949219 MB of memory in use. ENERGY: 4858800 732.6509 2104.1604 1942.1609 101.3065 -205958.2881 17751.4144 0.0000 0.0000 34009.8572 -149316.7377 297.0165 -183326.5949 -149220.1755 298.8201 -35.1499 -2.3808 558903.2925 14.8024 14.7746 PRESSURE: 4859000 -189.051 -88.1057 43.7527 -88.1068 -93.033 4.84261 43.753 4.84356 -163.602 GPRESSURE: 4859000 -141.731 -127.436 37.6017 -83.045 -78.5635 -33.1714 106.173 -48.2564 -100.915 PRESSAVG: 4859000 -4.75695 16.3073 -8.4743 16.3073 -40.7254 -26.1917 -8.47428 -26.1917 64.8759 GPRESSAVG: 4859000 -4.20374 18.6111 -7.24447 15.689 -41.5609 -23.6523 -10.3145 -25.3336 65.4515 TIMING: 4859000 CPU: 14588.7, 0.00298212/step Wall: 14588.7, 0.00298212/step, 0.1168 hours remaining, 210.949219 MB of memory in use. ENERGY: 4859000 733.9373 2061.9799 1910.8642 115.1619 -206368.2630 17722.1442 0.0000 0.0000 34411.3505 -149412.8251 300.5229 -183824.1756 -149318.9994 298.9882 -148.5619 -107.0698 557298.2651 6.4645 6.5623 PRESSURE: 4859200 9.89414 141.969 -25.5034 141.968 -261.244 -40.3546 -25.5035 -40.3551 -206.216 GPRESSURE: 4859200 -15.6509 183.566 31.8684 60.9357 -184.053 0.604359 119.451 -65.7399 -155.717 PRESSAVG: 4859200 -6.72319 6.51189 -69.7589 6.51182 -17.745 -21.9058 -69.7589 -21.9058 9.87652 GPRESSAVG: 4859200 -6.34666 4.92286 -70.8509 7.47965 -17.2614 -23.1289 -67.8915 -20.8913 8.97698 TIMING: 4859200 CPU: 14589.3, 0.00298287/step Wall: 14589.3, 0.00298287/step, 0.116664 hours remaining, 210.949219 MB of memory in use. ENERGY: 4859200 761.5104 2157.5511 1907.9534 93.6768 -206090.3988 17463.7179 0.0000 0.0000 34289.0556 -149416.9337 299.4549 -183705.9892 -149326.8922 299.3817 -152.5220 -118.4737 555893.3781 -4.8639 -4.8770 PRESSURE: 4859400 -15.1366 226.772 6.43178 226.773 -11.8502 87.3618 6.43163 87.363 -13.9396 GPRESSURE: 4859400 50.6013 268.244 -68.9686 152.339 -1.75752 -33.9278 -13.5128 66.8605 9.89023 PRESSAVG: 4859400 -20.3118 10.2365 -22.0344 10.2365 16.5519 27.4939 -22.0344 27.4939 21.315 GPRESSAVG: 4859400 -21.0547 12.898 -23.1292 8.50876 16.7143 28.5479 -21.5242 25.2526 22.6909 TIMING: 4859400 CPU: 14589.9, 0.00301224/step Wall: 14589.9, 0.00301224/step, 0.117645 hours remaining, 210.949219 MB of memory in use. ENERGY: 4859400 767.9957 2099.7929 1918.5474 126.8071 -206382.5424 17777.6600 0.0000 0.0000 34264.7022 -149427.0371 299.2422 -183691.7392 -149332.0982 299.4600 -13.6421 19.5780 555664.4359 5.8517 6.1168 PRESSURE: 4859600 -91.3924 78.8331 13.5268 78.8346 141.466 -46.8481 13.5269 -46.8478 -22.0771 GPRESSURE: 4859600 -28.1492 -27.0032 110.191 205.285 147.953 -18.7332 -22.8848 -77.6967 19.5088 PRESSAVG: 4859600 -18.2158 52.5356 46.798 52.5356 19.6836 24.7338 46.7981 24.7338 13.9776 GPRESSAVG: 4859600 -17.9281 50.5347 47.3603 54.3682 19.995 25.4877 46.5766 24.7056 13.3159 TIMING: 4859600 CPU: 14590.5, 0.0030127/step Wall: 14590.5, 0.0030127/step, 0.117495 hours remaining, 210.949219 MB of memory in use. ENERGY: 4859600 727.5751 2072.9971 1929.2440 109.4757 -206046.8986 17754.2852 0.0000 0.0000 34195.7131 -149257.6084 298.6397 -183453.3215 -149158.9681 298.5082 9.3321 46.4375 556572.2631 5.1484 5.1276 PRESSURE: 4859800 18.2982 -174.314 88.6665 -174.313 -10.4782 226.292 88.6665 226.294 219.862 GPRESSURE: 4859800 44.0542 -98.4229 73.7006 -224.446 44.881 207.381 210.016 169.51 234.26 PRESSAVG: 4859800 -26.349 46.403 64.635 46.4029 -8.00263 -39.9154 64.6349 -39.9154 12.3996 GPRESSAVG: 4859800 -26.2348 48.8291 65.5765 45.2293 -7.38323 -42.2293 66.0421 -38.0008 12.5126 TIMING: 4859800 CPU: 14591.1, 0.00298437/step Wall: 14591.1, 0.00298437/step, 0.116225 hours remaining, 210.949219 MB of memory in use. ENERGY: 4859800 719.0886 2074.3386 1939.7362 116.2081 -206152.2899 17860.7757 0.0000 0.0000 34272.8703 -149169.2725 299.3135 -183442.1428 -149066.7157 299.1333 75.8941 107.7317 557002.3269 -7.3173 -7.0351 PRESSURE: 4860000 -50.728 -102.783 -5.89584 -102.783 117.912 -36.1915 -5.89485 -36.1928 102.657 GPRESSURE: 4860000 -21.7338 -102.027 17.8236 -111.476 147.636 -69.8157 -58.1756 -5.55092 140.672 PRESSAVG: 4860000 1.00706 -14.2565 59.0023 -14.2566 51.147 -1.17304 59.0023 -1.17296 -22.4122 GPRESSAVG: 4860000 1.2655 -18.697 58.9681 -12.6019 50.562 -1.56068 57.217 -1.30914 -22.9155 TIMING: 4860000 CPU: 14591.7, 0.00296456/step Wall: 14591.7, 0.00296456/step, 0.115289 hours remaining, 210.949219 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: 4860000 750.7972 2112.0915 1943.4067 120.1956 -206250.4971 17749.1278 0.0000 0.0000 34537.2587 -149037.6196 301.6225 -183574.8783 -148942.6575 299.9620 56.6136 88.8578 554762.5246 9.9139 9.6373 PRESSURE: 4860200 57.9736 -158.036 -140.016 -158.035 -15.2765 -86.6142 -140.016 -86.6139 -196.666 GPRESSURE: 4860200 120.022 -238.756 -56.728 -135.18 8.99435 -32.1577 -115.193 -141.371 -191.031 PRESSAVG: 4860200 -76.2829 30.2817 33.1487 30.2817 31.3151 12.8865 33.1486 12.8864 15.8101 GPRESSAVG: 4860200 -77.0564 30.5799 32.6872 29.1068 31.0278 13.2202 34.1214 12.3853 16.8263 TIMING: 4860200 CPU: 14592.3, 0.00296542/step Wall: 14592.3, 0.00296542/step, 0.115157 hours remaining, 210.949219 MB of memory in use. ENERGY: 4860200 734.7230 2073.9570 1971.0258 115.9615 -206062.8273 17743.8943 0.0000 0.0000 34393.3671 -149029.8986 300.3658 -183423.2657 -148929.5177 300.0875 -51.3229 -20.6714 557113.7459 -9.7192 -9.7341 LDB: ============= START OF LOAD BALANCING ============== 14595.8 LDB: ============== END OF LOAD BALANCING =============== 14595.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14595.8 LDB: ============= START OF LOAD BALANCING ============== 14596.1 LDB: Largest compute 4773 load 0.026750 is 22.6% of average load 0.118202 LDB: Average compute 0.001726 is 1.5% of average load 0.118202 LDB: TIME 14596.1 LOAD: AVG 0.118202 MAX 0.208577 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.453 MB LDB: TIME 14596.1 LOAD: AVG 0.118202 MAX 0.208577 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.457 MB LDB: TIME 14596.1 LOAD: AVG 0.118202 MAX 0.208577 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.457 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14596.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14596.1 PRESSURE: 4860400 -37.7658 -29.9104 23.13 -29.9094 5.48814 -2.36932 23.1305 -2.37241 60.3824 GPRESSURE: 4860400 46.7525 -34.607 46.8645 -2.83219 -13.8397 34.3157 -0.312341 -34.8284 93.4728 PRESSAVG: 4860400 22.0133 -52.3511 26.3961 -52.3511 19.1071 33.5493 26.3961 33.5494 7.34368 GPRESSAVG: 4860400 22.2928 -52.1297 25.1051 -49.9872 20.3934 34.8073 27.6724 32.1532 7.09141 TIMING: 4860400 CPU: 14592.9, 0.00302188/step Wall: 14592.9, 0.00302188/step, 0.117182 hours remaining, 210.312500 MB of memory in use. ENERGY: 4860400 789.1821 2120.2509 1926.4489 116.6215 -206272.3262 17872.2187 0.0000 0.0000 34403.2676 -149044.3365 300.4523 -183447.6041 -148950.6130 299.7849 9.3682 42.1286 556133.0729 16.1547 16.5925 PRESSURE: 4860600 -118.822 74.5393 -68.2916 74.5408 -81.1164 -51.8804 -68.2909 -51.8808 52.5327 GPRESSURE: 4860600 -107.46 104.319 -70.7019 43.4556 -28.1118 -73.9977 25.7495 51.5134 79.6347 PRESSAVG: 4860600 5.55647 61.2341 23.4865 61.234 9.27583 -29.9839 23.4865 -29.9838 23.715 GPRESSAVG: 4860600 6.1976 62.2575 24.371 59.0374 9.18921 -29.3562 23.1036 -27.9982 22.6383 TIMING: 4860600 CPU: 14593.5, 0.00296093/step Wall: 14593.5, 0.00296093/step, 0.114654 hours remaining, 210.382812 MB of memory in use. ENERGY: 4860600 736.9882 2074.3986 1925.9907 115.4041 -205833.2185 17644.7941 0.0000 0.0000 34364.5450 -148971.0978 300.1141 -183335.6428 -148874.8070 299.8006 -49.1352 -18.6456 557317.8718 12.8491 12.6750 PRESSURE: 4860800 10.2464 80.1559 56.5944 80.1547 -137.304 244.24 56.5959 244.24 -43.5796 GPRESSURE: 4860800 57.0954 132.254 69.058 90.8529 -122.792 269.241 106.933 201.682 -17.3398 PRESSAVG: 4860800 -40.5005 -5.6478 9.05087 -5.64784 29.6178 27.5881 9.05087 27.5881 24.3696 GPRESSAVG: 4860800 -40.7857 -4.97401 10.5256 -4.67536 28.7367 27.1856 7.34564 24.0857 25.5281 TIMING: 4860800 CPU: 14594.1, 0.00295473/step Wall: 14594.1, 0.00295473/step, 0.11425 hours remaining, 210.382812 MB of memory in use. ENERGY: 4860800 762.7808 2106.7667 1963.9894 105.4311 -205880.4107 17732.1841 0.0000 0.0000 34400.2561 -148809.0026 300.4260 -183209.2587 -148712.7156 300.3906 -56.8789 -27.6787 557921.1205 4.4956 4.4930 PRESSURE: 4861000 121.841 129.212 26.5179 129.212 -149.424 -48.575 26.5176 -48.5758 80.6449 GPRESSURE: 4861000 143.429 153.445 6.25096 38.217 -91.512 -76.3243 14.5208 -30.4178 85.188 PRESSAVG: 4861000 24.7613 16.5619 -28.8876 16.5619 34.0945 11.7715 -28.8877 11.7715 -22.8797 GPRESSAVG: 4861000 24.5869 16.8976 -30.3616 14.4542 35.2047 9.90334 -26.3857 14.4354 -24.3025 TIMING: 4861000 CPU: 14594.7, 0.00299011/step Wall: 14594.7, 0.00299011/step, 0.115451 hours remaining, 210.382812 MB of memory in use. ENERGY: 4861000 765.2777 2122.5334 1946.2355 117.2270 -205994.8441 17773.6078 0.0000 0.0000 34498.6665 -148771.2961 301.2854 -183269.9627 -148684.7175 300.9855 17.6872 45.7017 557322.5669 11.9920 11.8297 PRESSURE: 4861200 138.912 30.5353 -60.123 30.5352 -38.707 5.08941 -60.1229 5.08888 -318.4 GPRESSURE: 4861200 150.13 84.1336 -94.8934 53.5568 -3.55581 84.2811 -23.2086 34.5979 -264.549 PRESSAVG: 4861200 -16.2301 47.3098 -4.67748 47.3098 11.5826 34.7422 -4.6774 34.7422 8.03061 GPRESSAVG: 4861200 -16.0089 47.1133 -4.60167 46.8438 10.6266 34.9823 -6.66234 33.4965 8.83761 TIMING: 4861200 CPU: 14595.3, 0.0029495/step Wall: 14595.3, 0.0029495/step, 0.113719 hours remaining, 210.382812 MB of memory in use. ENERGY: 4861200 745.3189 2127.7048 1954.9476 110.1474 -205809.8257 17641.6943 0.0000 0.0000 34243.5848 -148986.4278 299.0577 -183230.0126 -148887.8162 300.5688 -72.7314 -39.3249 557405.4208 1.1277 1.1518 PRESSURE: 4861400 -371.005 -42.5156 77.2055 -42.515 -168.383 -85.0856 77.207 -85.0867 -41.5945 GPRESSURE: 4861400 -306.971 -20.6372 68.1949 -169.793 -172.291 -58.4238 7.09816 -88.3161 0.142306 PRESSAVG: 4861400 -38.6471 38.9688 3.31158 38.9688 38.2207 15.0135 3.31165 15.0135 6.50626 GPRESSAVG: 4861400 -37.3957 38.6751 4.50404 40.2642 37.572 15.5891 4.53685 15.5265 5.93517 TIMING: 4861400 CPU: 14595.9, 0.00294653/step Wall: 14595.9, 0.00294653/step, 0.113441 hours remaining, 210.382812 MB of memory in use. ENERGY: 4861400 771.1639 2093.9697 1985.0818 121.7562 -205972.0215 17493.7550 0.0000 0.0000 34327.2020 -149179.0929 299.7880 -183506.2949 -149081.2008 299.6759 -193.6609 -159.7068 558275.6352 2.0266 2.0371 PRESSURE: 4861600 -10.4681 -93.9937 -150.507 -93.9934 124.598 -91.1641 -150.508 -91.1641 34.2478 GPRESSURE: 4861600 53.3909 -186.493 -132.595 -24.9046 86.7098 -8.72249 -83.324 -81.5939 98.503 PRESSAVG: 4861600 11.2451 -35.0145 50.6737 -35.0145 27.6267 -3.5833 50.6738 -3.58328 -48.6357 GPRESSAVG: 4861600 11.6006 -33.7422 49.7976 -35.7506 27.1045 -6.52694 51.8316 -2.55647 -48.3536 TIMING: 4861600 CPU: 14596.4, 0.00295426/step Wall: 14596.4, 0.00295426/step, 0.113575 hours remaining, 210.382812 MB of memory in use. ENERGY: 4861600 756.2277 2098.4457 1943.8692 121.9196 -206433.7704 17879.0715 0.0000 0.0000 34384.0568 -149250.1800 300.2845 -183634.2368 -149155.8764 299.3654 49.4591 79.5346 556842.0307 -3.2547 -3.2161 PRESSURE: 4861800 114.092 10.0479 147.951 10.0482 -306.414 42.251 147.951 42.2527 -18.351 GPRESSURE: 4861800 139.466 17.9037 154.171 -29.0756 -272.741 24.6265 91.0346 -20.1638 21.3825 PRESSAVG: 4861800 -22.1664 -44.7557 52.4382 -44.7559 -45.972 30.4796 52.4381 30.4798 51.0787 GPRESSAVG: 4861800 -24.295 -46.1311 52.4325 -44.2156 -44.0076 33.2225 50.8255 30.026 52.0598 TIMING: 4861800 CPU: 14597, 0.0029568/step Wall: 14597, 0.0029568/step, 0.113508 hours remaining, 210.382812 MB of memory in use. ENERGY: 4861800 751.4354 2113.3592 1938.5081 115.2655 -206236.6265 17693.7756 0.0000 0.0000 34309.9834 -149314.2992 299.6376 -183624.2826 -149216.4911 299.2990 -70.2245 -37.2975 558028.5377 -5.6866 -5.4143 PRESSURE: 4862000 -119.53 2.9352 1.753 2.9353 -91.9299 -13.2385 1.75544 -13.2389 -124.275 GPRESSURE: 4862000 -71.7607 -28.1326 -16.1152 35.7728 -152.498 21.8847 14.7007 0.840107 -22.2162 PRESSAVG: 4862000 44.8833 -28.5847 58.6615 -28.5847 -21.2783 22.0951 58.6615 22.095 -43.946 GPRESSAVG: 4862000 46.0841 -28.2444 59.0129 -28.5672 -21.7921 23.7204 58.4485 19.8435 -44.8374 TIMING: 4862000 CPU: 14597.6, 0.00295237/step Wall: 14597.6, 0.00295237/step, 0.113174 hours remaining, 210.382812 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: 4862000 753.0418 2116.8788 1943.7263 120.0818 -206221.2215 17774.3057 0.0000 0.0000 34212.5561 -149300.6310 298.7868 -183513.1871 -149203.3517 299.0954 -111.9115 -82.1581 558065.7752 -6.7803 -6.8485 PRESSURE: 4862200 -137.691 125.394 -33.9483 125.394 -248.739 55.6582 -33.9482 55.6583 -21.3076 GPRESSURE: 4862200 -97.7521 143.798 -56.5498 117.219 -172.74 118.495 24.8701 87.3929 -41.2766 PRESSAVG: 4862200 72.4145 67.0033 31.9972 67.0033 -63.23 11.295 31.9973 11.295 6.56543 GPRESSAVG: 4862200 70.9661 68.6702 31.9525 66.854 -62.929 11.1224 31.3938 13.7588 7.48456 TIMING: 4862200 CPU: 14598.2, 0.00295199/step Wall: 14598.2, 0.00295199/step, 0.112996 hours remaining, 210.382812 MB of memory in use. ENERGY: 4862200 764.8606 2043.6983 1944.9236 108.4249 -205989.5554 17501.4731 0.0000 0.0000 34191.6932 -149434.4818 298.6046 -183626.1750 -149336.3273 298.7441 -135.9123 -103.9230 557420.6007 5.2500 5.1739 PRESSURE: 4862400 -91.6257 109.619 96.8632 109.618 93.0211 -90.9441 96.8636 -90.9456 218.163 GPRESSURE: 4862400 -55.9114 122.645 118.045 127.666 141.895 -39.4469 94.1032 -134.991 223.141 PRESSAVG: 4862400 -22.4902 13.0076 13.3473 13.0075 -53.7117 20.433 13.3473 20.433 54.4208 GPRESSAVG: 4862400 -22.9388 11.156 11.7992 15.0772 -54.3973 19.9863 14.7421 19.6029 55.328 TIMING: 4862400 CPU: 14598.8, 0.00294517/step Wall: 14598.8, 0.00294517/step, 0.112571 hours remaining, 210.382812 MB of memory in use. ENERGY: 4862400 772.4574 2155.6469 1914.9710 123.2803 -206493.5075 17820.5147 0.0000 0.0000 34334.9348 -149371.7024 299.8555 -183706.6371 -149282.3032 298.3639 73.1860 103.0416 557434.2457 -7.2604 -7.3360 PRESSURE: 4862600 -206.441 29.7386 10.1341 29.7385 6.83839 88.1506 10.1347 88.1508 -67.5638 GPRESSURE: 4862600 -170.627 25.8065 17.3783 18.8282 40.4976 198.048 -43.216 22.007 -47.2152 PRESSAVG: 4862600 -3.64022 -37.1676 6.71811 -37.1676 42.1081 -39.6306 6.71807 -39.6305 -2.08036 GPRESSAVG: 4862600 -2.72254 -36.525 8.19921 -38.482 42.537 -40.5075 7.95605 -38.4171 -4.35928 TIMING: 4862600 CPU: 14599.4, 0.00295825/step Wall: 14599.4, 0.00295825/step, 0.112906 hours remaining, 210.382812 MB of memory in use. ENERGY: 4862600 775.9872 2120.3494 1893.2136 115.9067 -206286.8535 17746.8398 0.0000 0.0000 34314.1453 -149320.4115 299.6740 -183634.5568 -149225.2686 299.4036 -89.0556 -59.1150 557130.9172 12.1292 11.8184 PRESSURE: 4862800 -163.7 9.64717 -67.9582 9.64705 -102.63 203.811 -67.9583 203.81 -489.338 GPRESSURE: 4862800 -59.172 9.51722 -76.2897 -23.6969 -159.518 238.902 -58.9712 180.497 -430.925 PRESSAVG: 4862800 30.1075 -8.10321 3.12729 -8.10319 51.6089 1.34508 3.1273 1.34509 -65.1089 GPRESSAVG: 4862800 29.7206 -8.31241 2.22549 -6.60973 50.9016 3.34285 1.05397 1.49309 -63.7061 TIMING: 4862800 CPU: 14600, 0.0029506/step Wall: 14600, 0.0029506/step, 0.112451 hours remaining, 210.585938 MB of memory in use. ENERGY: 4862800 805.7855 2154.7165 1960.0274 119.8107 -206425.0468 17719.9306 0.0000 0.0000 34264.7985 -149399.9776 299.2430 -183664.7761 -149304.5324 298.7995 -251.8896 -216.5386 557682.4510 5.5358 5.6387 PRESSURE: 4863000 197.997 -30.5036 -101.136 -30.5039 -66.099 49.3253 -101.137 49.3257 48.1548 GPRESSURE: 4863000 217.974 11.0707 -88.4388 -41.6778 -46.3367 128.061 -171.735 25.7719 110.301 PRESSAVG: 4863000 -4.38031 13.66 -32.1141 13.6599 -50.5946 -10.3629 -32.114 -10.3628 25.1006 GPRESSAVG: 4863000 -4.56303 13.9287 -31.4977 12.5996 -50.4242 -11.4287 -30.3928 -12.6866 26.0707 TIMING: 4863000 CPU: 14600.6, 0.00298323/step Wall: 14600.6, 0.00298323/step, 0.113528 hours remaining, 210.585938 MB of memory in use. ENERGY: 4863000 758.8876 2070.4197 1938.0446 116.4642 -206073.8826 17626.3660 0.0000 0.0000 34149.9761 -149413.7244 298.2402 -183563.7005 -149314.8327 298.2782 60.0176 93.9794 554983.8462 -9.9581 -9.6388 PRESSURE: 4863200 -43.5844 -33.2804 -243.243 -33.2789 -170.171 -8.39964 -243.243 -8.40001 -428.855 GPRESSURE: 4863200 -45.9273 -37.7394 -173.905 -93.0091 -113.219 -33.2174 -265.625 -24.563 -394.462 PRESSAVG: 4863200 -60.5336 47.5542 5.65388 47.5542 44.2976 -8.95843 5.65387 -8.9585 35.4394 GPRESSAVG: 4863200 -59.7657 44.8956 5.16976 46.819 44.1186 -9.33134 4.7088 -5.3028 34.5207 TIMING: 4863200 CPU: 14601.2, 0.00296465/step Wall: 14601.2, 0.00296465/step, 0.112657 hours remaining, 210.585938 MB of memory in use. ENERGY: 4863200 764.7448 2092.6729 1926.5158 103.6264 -206187.1340 17529.7720 0.0000 0.0000 34239.7162 -149530.0859 299.0240 -183769.8021 -149431.4851 299.0776 -214.2034 -184.5360 557125.8789 6.4011 6.2912 PRESSURE: 4863400 -90.4986 206.285 14.0482 206.284 -29.8575 -105.1 14.0474 -105.099 7.64424 GPRESSURE: 4863400 -19.3887 149.223 41.403 196.903 -21.6287 -81.6133 -19.5031 -67.4056 18.9554 PRESSAVG: 4863400 -10.1253 -22.5996 2.58462 -22.5995 4.17751 22.7371 2.58465 22.737 -18.9292 GPRESSAVG: 4863400 -9.12704 -19.6657 3.29807 -22.9728 4.41358 23.2694 2.09926 21.2182 -19.5908 TIMING: 4863400 CPU: 14601.8, 0.00297884/step Wall: 14601.8, 0.00297884/step, 0.113031 hours remaining, 210.585938 MB of memory in use. ENERGY: 4863400 726.4798 2056.8195 1918.5545 100.3484 -206630.5084 17888.1916 0.0000 0.0000 34375.2409 -149564.8736 300.2075 -183940.1145 -149472.3864 298.5574 -37.5706 -7.3540 556335.8957 -8.2923 -8.1014 PRESSURE: 4863600 25.2167 95.2823 79.0093 95.2823 -247.823 -148.78 79.0094 -148.78 -149.887 GPRESSURE: 4863600 72.1757 50.2391 99.8517 140.203 -243.504 -119.278 20.5584 -114.971 -109.202 PRESSAVG: 4863600 -13.0218 24.8933 -57.5404 24.8932 -1.90342 4.0281 -57.5404 4.0279 22.7192 GPRESSAVG: 4863600 -14.254 24.1968 -56.7632 26.1307 -2.30113 4.42876 -58.6371 4.13865 23.8337 TIMING: 4863600 CPU: 14602.4, 0.00297187/step Wall: 14602.4, 0.00297187/step, 0.112601 hours remaining, 210.585938 MB of memory in use. ENERGY: 4863600 741.5435 2070.7353 1922.9647 105.4871 -206073.9401 17626.7606 0.0000 0.0000 34093.6438 -149512.8052 297.7483 -183606.4490 -149422.6740 298.5502 -124.1643 -93.5100 557857.2557 2.5980 2.4262 PRESSURE: 4863800 -50.5383 -15.9181 193.726 -15.9191 -445.386 -69.4839 193.725 -69.4865 75.4498 GPRESSURE: 4863800 -30.3639 -2.60017 153.046 -68.9088 -393.511 -73.4474 200.614 -37.0528 104.99 PRESSAVG: 4863800 37.2105 -1.70443 -19.2823 -1.70449 -94.4252 -17.7443 -19.2823 -17.7443 55.3332 GPRESSAVG: 4863800 37.1573 -2.36076 -20.7893 -2.59121 -93.9336 -21.9512 -16.5127 -16.7614 54.7954 TIMING: 4863800 CPU: 14603, 0.00297857/step Wall: 14603, 0.00297857/step, 0.112689 hours remaining, 210.585938 MB of memory in use. ENERGY: 4863800 697.8661 2073.7108 1934.9407 118.2307 -206189.5005 17578.9305 0.0000 0.0000 34220.3320 -149565.4897 298.8547 -183785.8217 -149470.8300 298.3173 -140.1581 -106.2951 556552.0862 -0.6272 -0.6603 PRESSURE: 4864000 53.0412 86.8803 -44.3798 86.8804 -71.0767 -49.4795 -44.3795 -49.4798 -357.625 GPRESSURE: 4864000 40.2512 99.5628 -73.5428 -28.1437 -41.9558 -65.1891 9.70701 -89.4581 -276.428 PRESSAVG: 4864000 -16.6869 16.2833 16.7149 16.2832 -27.4584 -10.187 16.7148 -10.187 43.1924 GPRESSAVG: 4864000 -17.7096 16.7052 19.5543 17.3567 -26.9156 -7.37927 14.7175 -11.7717 43.3031 TIMING: 4864000 CPU: 14603.6, 0.00298163/step Wall: 14603.6, 0.00298163/step, 0.112639 hours remaining, 210.789062 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: 4864000 749.3142 2107.0110 1948.7237 116.1508 -205745.9449 17367.1113 0.0000 0.0000 34030.5094 -149427.1246 297.1969 -183457.6340 -149328.1729 298.4531 -125.2201 -92.7108 556911.3111 -0.3176 -0.4407 PRESSURE: 4864200 -9.50336 42.0347 -32.849 42.0348 -119.774 24.4295 -32.8489 24.4296 -108.864 GPRESSURE: 4864200 37.4251 72.8209 -65.3717 -14.9004 -104.063 56.2321 28.006 46.9633 -86.4464 PRESSAVG: 4864200 62.0649 17.4497 4.73957 17.4496 -46.9573 -28.5059 4.73947 -28.506 5.12754 GPRESSAVG: 4864200 62.5608 17.1006 2.87913 16.9088 -47.5093 -29.8697 5.83602 -26.1374 4.26027 TIMING: 4864200 CPU: 14604.2, 0.00297543/step Wall: 14604.2, 0.00297543/step, 0.11224 hours remaining, 210.789062 MB of memory in use. ENERGY: 4864200 732.5948 2108.0195 1941.4373 119.5004 -206139.6619 17600.1060 0.0000 0.0000 34278.6385 -149359.3654 299.3639 -183638.0039 -149259.9558 299.3982 -79.3803 -51.0282 556109.6356 6.7451 6.4373 LDB: ============= START OF LOAD BALANCING ============== 14607.7 LDB: ============== END OF LOAD BALANCING =============== 14607.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14607.7 LDB: ============= START OF LOAD BALANCING ============== 14608 LDB: Largest compute 4773 load 0.027527 is 23.3% of average load 0.118258 LDB: Average compute 0.001731 is 1.5% of average load 0.118258 LDB: TIME 14608 LOAD: AVG 0.118258 MAX 0.210511 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.582 MB LDB: TIME 14608 LOAD: AVG 0.118258 MAX 0.210511 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.582 MB LDB: TIME 14608 LOAD: AVG 0.118258 MAX 0.210511 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.582 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14608 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14608 PRESSURE: 4864400 -110.483 -13.6852 -36.7212 -13.6851 70.8376 -223.283 -36.7212 -223.283 -127.061 GPRESSURE: 4864400 -87.38 95.4061 -21.1049 13.3451 47.0166 -258.757 32.4067 -240.431 -35.783 PRESSAVG: 4864400 6.975 1.17499 25.0438 1.17488 -43.0599 -27.4569 25.0438 -27.4569 66.9221 GPRESSAVG: 4864400 6.1763 0.445645 23.8981 1.02667 -43.367 -25.8604 25.9332 -29.2637 67.4912 TIMING: 4864400 CPU: 14604.8, 0.00303582/step Wall: 14604.8, 0.00303582/step, 0.114349 hours remaining, 208.722656 MB of memory in use. ENERGY: 4864400 753.3686 2086.2584 1956.0265 105.7136 -206280.2343 17777.1076 0.0000 0.0000 34261.8798 -149339.8798 299.2175 -183601.7596 -149237.5950 299.3417 -55.5688 -25.3821 557421.2631 10.2791 10.1002 PRESSURE: 4864600 -259.905 47.6683 200.97 47.6692 -78.815 -277.913 200.969 -277.913 121.684 GPRESSURE: 4864600 -244.465 23.6615 126.305 87.5666 -83.8339 -401.24 249.246 -254.543 202.443 PRESSAVG: 4864600 28.4889 8.72625 58.4759 8.72623 6.85339 -69.1629 58.4759 -69.163 -48.2991 GPRESSAVG: 4864600 28.8978 8.73292 58.9805 10.7715 7.1485 -70.3124 58.0705 -69.4024 -49.2469 TIMING: 4864600 CPU: 14605.4, 0.00295615/step Wall: 14605.4, 0.00295615/step, 0.111184 hours remaining, 208.882812 MB of memory in use. ENERGY: 4864600 753.9731 2163.3673 1939.6831 119.7382 -206131.1709 17632.3557 0.0000 0.0000 34196.0949 -149325.9585 298.6430 -183522.0534 -149232.7432 298.8798 -72.3456 -41.9516 556548.7530 -4.3189 -4.4002 PRESSURE: 4864800 14.7248 43.9287 30.2036 43.9283 -117.286 144.532 30.204 144.534 -220.978 GPRESSURE: 4864800 75.7358 67.8149 -5.16039 -15.9555 -125.8 61.8268 105.993 173.467 -181.963 PRESSAVG: 4864800 30.184 -0.165422 2.58566 -0.165412 -32.8373 19.1677 2.58563 19.1676 -1.82638 GPRESSAVG: 4864800 30.6512 -0.353635 2.15006 -1.99488 -33.2934 18.6784 0.711295 19.4643 -1.94819 TIMING: 4864800 CPU: 14605.9, 0.00296266/step Wall: 14605.9, 0.00296266/step, 0.111264 hours remaining, 208.882812 MB of memory in use. ENERGY: 4864800 738.0145 2105.1874 1966.2799 116.8066 -206222.4380 17647.2939 0.0000 0.0000 34313.4147 -149335.4410 299.6676 -183648.8557 -149237.9792 299.9270 -107.8462 -77.3426 556382.0622 -1.4932 -1.5301 PRESSURE: 4865000 -70.3712 -83.7295 121.692 -83.7301 -202.198 -58.808 121.69 -58.8092 227.008 GPRESSURE: 4865000 -50.5511 -111.682 137.044 -87.0185 -143.1 -38.6209 103.959 -129.145 246.212 PRESSAVG: 4865000 17.1113 -21.3658 34.8801 -21.3658 -20.653 23.1059 34.8801 23.106 35.0288 GPRESSAVG: 4865000 17.23 -19.76 35.2001 -23.4238 -19.9844 23.813 35.9142 21.3989 34.7729 TIMING: 4865000 CPU: 14606.5, 0.0029626/step Wall: 14606.5, 0.0029626/step, 0.111098 hours remaining, 208.882812 MB of memory in use. ENERGY: 4865000 736.7974 2059.8753 1947.1472 115.3079 -206318.5942 17981.8222 0.0000 0.0000 34133.1619 -149344.4822 298.0934 -183477.6441 -149253.5001 298.9315 -15.1873 17.5201 557707.0295 10.4957 10.6728 PRESSURE: 4865200 -20.7511 -38.0624 -130.8 -38.0637 -52.4922 -59.8549 -130.8 -59.8554 -11.3517 GPRESSURE: 4865200 9.27928 -119.67 -50.8626 59.1505 13.7479 -91.9599 -94.2106 -34.4955 -9.31431 PRESSAVG: 4865200 -52.6074 -73.9403 -39.006 -73.9404 17.9704 -4.9707 -39.006 -4.9708 46.1696 GPRESSAVG: 4865200 -53.2205 -73.7119 -40.5895 -72.0417 18.6405 -2.85256 -37.9257 -5.27078 46.1883 TIMING: 4865200 CPU: 14607.1, 0.00295804/step Wall: 14607.1, 0.00295804/step, 0.110762 hours remaining, 208.882812 MB of memory in use. ENERGY: 4865200 711.9738 2096.9330 1945.9328 111.0844 -206203.2306 17624.3993 0.0000 0.0000 34426.2603 -149286.6470 300.6531 -183712.9073 -149189.3162 298.7213 -28.1983 4.5710 556347.1285 3.8442 3.8694 PRESSURE: 4865400 340.28 4.79505 -102.157 4.7966 -250.638 -72.1454 -102.158 -72.1461 -255.302 GPRESSURE: 4865400 360.696 36.1728 -78.4377 33.9408 -239.638 -20.7726 -113.045 -83.4299 -173.392 PRESSAVG: 4865400 5.95482 -12.4268 26.9802 -12.4268 -59.2506 21.1289 26.9802 21.1288 46.3637 GPRESSAVG: 4865400 6.40084 -12.3216 28.8977 -11.9975 -60.1781 20.6073 24.9936 20.6448 46.844 TIMING: 4865400 CPU: 14607.7, 0.0030146/step Wall: 14607.7, 0.0030146/step, 0.112713 hours remaining, 208.882812 MB of memory in use. ENERGY: 4865400 718.2146 2068.5680 1942.9619 104.4896 -206115.2389 17648.8079 0.0000 0.0000 34303.5129 -149328.6840 299.5811 -183632.1969 -149239.5094 298.6124 -55.2201 -17.4447 558247.1171 -2.3107 -2.3111 PRESSURE: 4865600 193.489 94.8454 37.6035 94.8446 -288.158 64.4965 37.6039 64.4947 1.09737 GPRESSURE: 4865600 195.973 150.901 17.7199 121.04 -228.084 -9.76323 69.0962 84.9179 35.9486 PRESSAVG: 4865600 89.784 27.6668 -18.8811 27.6669 -27.9559 -28.9708 -18.8811 -28.9708 -27.512 GPRESSAVG: 4865600 89.5299 26.34 -20.6531 25.3583 -28.6188 -30.3492 -17.0295 -27.6964 -26.9858 TIMING: 4865600 CPU: 14608.3, 0.00298798/step Wall: 14608.3, 0.00298798/step, 0.111551 hours remaining, 208.882812 MB of memory in use. ENERGY: 4865600 736.7818 2104.6778 1924.9162 96.1770 -206158.5032 17699.3117 0.0000 0.0000 34148.5074 -149448.1313 298.2274 -183596.6387 -149352.3714 298.6657 -31.1907 1.2792 558338.2437 11.4387 11.3084 PRESSURE: 4865800 -4.14286 94.6434 -37.0746 94.6432 117.307 -2.71075 -37.0739 -2.71026 68.079 GPRESSURE: 4865800 24.2324 113.449 -27.1388 65.8039 95.2042 -48.0833 -24.7938 60.3608 152.039 PRESSAVG: 4865800 85.7176 28.9707 -24.245 28.9708 -96.7912 -22.7354 -24.245 -22.7354 25.7119 GPRESSAVG: 4865800 85.262 29.8298 -23.3462 30.7657 -97.9798 -20.1113 -25.0599 -21.6536 27.0375 TIMING: 4865800 CPU: 14608.9, 0.00299054/step Wall: 14608.9, 0.00299054/step, 0.111481 hours remaining, 208.882812 MB of memory in use. ENERGY: 4865800 750.8248 2067.3058 1932.6262 114.6845 -206298.2819 17823.9000 0.0000 0.0000 34086.4474 -149522.4933 297.6854 -183608.9407 -149432.8371 298.0408 60.4145 90.4920 557276.5881 4.8794 4.7733 PRESSURE: 4866000 -165.361 -102.96 85.7649 -102.959 144.481 -125.769 85.7662 -125.768 170.942 GPRESSURE: 4866000 -168.991 -163.126 59.5698 -57.6823 196.974 -83.1864 50.61 -85.492 226.258 PRESSAVG: 4866000 11.309 1.96336 8.12864 1.96333 15.0597 -27.026 8.12859 -27.026 6.25074 GPRESSAVG: 4866000 11.4621 2.61291 11.0794 2.1299 16.1285 -27.8965 7.1838 -28.7287 4.56331 TIMING: 4866000 CPU: 14609.5, 0.0029769/step Wall: 14609.5, 0.0029769/step, 0.110807 hours remaining, 208.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4866000 727.4343 2116.3843 1938.9950 119.7379 -206267.7012 17888.3400 0.0000 0.0000 34012.1027 -149464.7069 297.0362 -183476.8095 -149373.1422 299.1384 50.0204 84.7469 556849.6714 10.8731 10.7180 PRESSURE: 4866200 108.077 -2.95746 0.503622 -2.95709 12.7942 18.9659 0.504147 18.9665 -3.76757 GPRESSURE: 4866200 127.821 33.604 58.5875 28.6582 23.8433 -10.752 -12.991 77.6908 53.983 PRESSAVG: 4866200 -56.3393 6.39208 11.1432 6.39213 60.2626 9.06923 11.1432 9.06939 -30.6337 GPRESSAVG: 4866200 -56.8773 4.82717 7.563 8.52649 59.4993 10.908 13.2665 12.397 -29.5838 TIMING: 4866200 CPU: 14610.1, 0.00297915/step Wall: 14610.1, 0.00297915/step, 0.110725 hours remaining, 208.882812 MB of memory in use. ENERGY: 4866200 741.4919 2090.4091 1934.0563 132.0021 -206620.7718 18003.1107 0.0000 0.0000 34345.4712 -149374.2305 299.9475 -183719.7017 -149281.4095 298.8408 39.0345 68.5491 556897.3033 -8.9035 -8.9872 PRESSURE: 4866400 102.16 42.8174 -62.9015 42.8181 62.7781 173.136 -62.9013 173.138 -181.02 GPRESSURE: 4866400 126.297 59.9657 -67.7674 99.4447 110.817 149.27 -170.006 169.98 -147.143 PRESSAVG: 4866400 65.3016 17.7307 -36.6838 17.7307 -16.3632 3.25166 -36.6839 3.25169 -44.9348 GPRESSAVG: 4866400 64.7529 18.1585 -32.5594 17.2414 -14.6101 -0.647371 -39.4051 0.823371 -46.6034 TIMING: 4866400 CPU: 14610.7, 0.0029532/step Wall: 14610.7, 0.0029532/step, 0.109597 hours remaining, 208.882812 MB of memory in use. ENERGY: 4866400 747.9380 2093.4963 1908.0685 107.6521 -206499.0805 17982.2809 0.0000 0.0000 34205.0608 -149454.5839 298.7213 -183659.6446 -149359.1857 298.3932 -5.3604 29.9904 557658.6720 1.3345 1.1798 PRESSURE: 4866600 -79.0872 -142.739 108.057 -142.739 23.1719 9.09917 108.057 9.10017 96.9846 GPRESSURE: 4866600 -16.7842 -97.3401 37.1664 -197.458 64.3429 57.3399 123.661 -11.2908 97.8423 PRESSAVG: 4866600 69.7677 -17.1153 44.7849 -17.1153 -32.1733 -1.00421 44.785 -1.00426 -39.2734 GPRESSAVG: 4866600 69.6366 -15.0121 42.0585 -19.2416 -33.0466 -0.0771629 46.7139 -0.20704 -38.2713 TIMING: 4866600 CPU: 14611.3, 0.00296842/step Wall: 14611.3, 0.00296842/step, 0.109997 hours remaining, 208.882812 MB of memory in use. ENERGY: 4866600 775.8321 2058.9989 1938.1968 109.4623 -206693.7028 17905.7091 0.0000 0.0000 34461.5408 -149443.9627 300.9612 -183905.5035 -149353.1112 298.6141 13.6898 48.4670 556566.0277 -0.5597 -0.5604 PRESSURE: 4866800 30.1932 26.6718 -2.59478 26.6717 53.801 227.955 -2.59563 227.955 21.3102 GPRESSURE: 4866800 1.83386 11.7379 56.0188 33.4332 81.7768 164.428 -83.7146 239.003 110.897 PRESSAVG: 4866800 25.4385 -26.4539 14.3544 -26.4538 -20.453 17.6012 14.3542 17.6012 -11.5969 GPRESSAVG: 4866800 24.8933 -29.2357 12.8206 -24.9811 -21.3769 16.9732 14.3743 17.4074 -10.2981 TIMING: 4866800 CPU: 14611.9, 0.00297902/step Wall: 14611.9, 0.00297902/step, 0.110224 hours remaining, 208.882812 MB of memory in use. ENERGY: 4866800 728.0321 2093.0279 1956.2616 114.5698 -206708.5830 17994.2973 0.0000 0.0000 34205.1405 -149617.2538 298.7220 -183822.3943 -149519.9277 298.8459 35.1015 64.8358 557741.0125 -2.2038 -2.2606 PRESSURE: 4867000 39.6959 39.8347 -37.475 39.8346 237.078 -17.1771 -37.4741 -17.1773 241.244 GPRESSURE: 4867000 94.2719 69.2717 -46.8102 78.6989 224.129 -17.973 -16.8075 65.6434 308.735 PRESSAVG: 4867000 56.911 -13.5173 5.99891 -13.5173 -15.1134 79.587 5.9989 79.5869 -20.7752 GPRESSAVG: 4867000 58.6257 -13.994 5.45057 -12.6749 -16.3627 80.361 5.85045 79.1899 -20.8233 TIMING: 4867000 CPU: 14612.5, 0.00295542/step Wall: 14612.5, 0.00295542/step, 0.109186 hours remaining, 208.882812 MB of memory in use. ENERGY: 4867000 734.3126 2019.1437 1932.9426 116.0350 -206523.4444 17997.0523 0.0000 0.0000 34118.8966 -149605.0616 297.9688 -183723.9582 -149502.5098 298.2250 172.6726 209.0452 556296.0299 7.0075 7.1466 PRESSURE: 4867200 -210.678 30.8605 -81.598 30.8606 47.6848 11.9741 -81.5983 11.9748 -58.701 GPRESSURE: 4867200 -188.789 72.8043 -65.7154 33.9986 79.1771 63.3606 -156.142 20.333 -3.66251 PRESSAVG: 4867200 18.4917 15.0325 10.2446 15.0325 3.22997 11.7497 10.2448 11.7497 -11.8461 GPRESSAVG: 4867200 17.2836 15.1614 12.8455 14.3702 5.09814 10.6678 10.1838 12.5699 -12.7259 TIMING: 4867200 CPU: 14613.1, 0.00295346/step Wall: 14613.1, 0.00295346/step, 0.10895 hours remaining, 208.882812 MB of memory in use. ENERGY: 4867200 759.2754 2122.6120 1929.5059 116.0803 -206544.3135 17831.6059 0.0000 0.0000 34298.3275 -149486.9064 299.5358 -183785.2339 -149389.3581 298.2832 -73.8981 -37.7582 558621.1532 3.2918 3.2186 PRESSURE: 4867400 -202.438 -113.44 -71.7238 -113.44 -73.1313 -93.1591 -71.7238 -93.1609 -220.168 GPRESSURE: 4867400 -226.723 -115.123 -142.473 -126.904 -34.1105 37.5142 -91.2172 -34.2923 -145.954 PRESSAVG: 4867400 -85.921 -47.5773 38.2497 -47.5772 39.1331 43.8422 38.2496 43.8422 31.3655 GPRESSAVG: 4867400 -84.8297 -45.4385 39.216 -48.6842 38.3339 45.4499 36.0615 43.6717 30.8282 TIMING: 4867400 CPU: 14613.7, 0.00297438/step Wall: 14613.7, 0.00297438/step, 0.109556 hours remaining, 208.882812 MB of memory in use. ENERGY: 4867400 712.5765 2097.9289 1962.5519 124.8853 -206470.4235 17721.6429 0.0000 0.0000 34378.6384 -149472.1997 300.2372 -183850.8380 -149373.5768 298.7333 -165.2459 -135.5956 558529.2401 -5.1408 -5.2225 PRESSURE: 4867600 -136.213 -42.2552 -135.752 -42.2555 -38.4648 57.5415 -135.753 57.5428 -216.442 GPRESSURE: 4867600 -81.4658 -55.5317 -145.912 -57.4956 8.2042 10.5779 -130.799 -7.00915 -218.449 PRESSAVG: 4867600 -13.3789 -20.5027 31.4821 -20.5027 59.4114 -17.2364 31.482 -17.2363 -10.0949 GPRESSAVG: 4867600 -14.2993 -23.494 30.0086 -19.8709 58.887 -16.2474 32.9438 -15.6536 -9.35796 TIMING: 4867600 CPU: 14614.3, 0.00297628/step Wall: 14614.3, 0.00297628/step, 0.109461 hours remaining, 208.882812 MB of memory in use. ENERGY: 4867600 798.6605 2086.0247 1976.6316 114.7906 -206291.4293 17726.1738 0.0000 0.0000 34128.3943 -149460.7538 298.0518 -183589.1481 -149364.1373 298.6587 -130.3733 -97.2370 557691.9048 11.9792 11.7432 PRESSURE: 4867800 -150.646 -121.798 61.7015 -121.797 -198.262 23.513 61.7018 23.5143 -314.339 GPRESSURE: 4867800 -170.421 -187.246 15.8741 -64.2475 -152.238 5.42988 147.926 131.196 -258.062 PRESSAVG: 4867800 20.4881 -5.19133 -9.71198 -5.19126 9.68482 50.6142 -9.71195 50.6142 -27.9398 GPRESSAVG: 4867800 21.4986 -4.4218 -11.6123 -4.01044 10.2638 48.8645 -7.81842 47.9382 -29.1776 TIMING: 4867800 CPU: 14614.9, 0.00300527/step Wall: 14614.9, 0.00300527/step, 0.11036 hours remaining, 208.882812 MB of memory in use. ENERGY: 4867800 762.9418 2129.9222 1939.0831 109.3741 -205720.3908 17345.0547 0.0000 0.0000 34070.2335 -149363.7815 297.5438 -183434.0149 -149271.2749 298.7551 -221.0823 -193.5738 558901.8809 0.7444 0.8616 PRESSURE: 4868000 120.451 199.556 -221.972 199.556 48.5413 68.1515 -221.972 68.1534 -107.298 GPRESSURE: 4868000 130.261 206.879 -248.699 186.611 97.4116 82.032 -233.463 114.14 -78.214 PRESSAVG: 4868000 20.1657 8.2118 -38.7666 8.21177 -26.1293 5.27951 -38.7667 5.27962 5.94534 GPRESSAVG: 4868000 19.0437 11.1853 -36.0903 5.83527 -26.409 4.8222 -40.7591 5.84014 7.80719 TIMING: 4868000 CPU: 14615.5, 0.00295982/step Wall: 14615.5, 0.00295982/step, 0.108527 hours remaining, 208.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4868000 745.0365 2091.4029 1960.1631 103.0002 -206604.4861 17890.2085 0.0000 0.0000 34446.9075 -149367.7675 300.8334 -183814.6750 -149270.2320 299.0262 20.5647 49.8196 556168.1134 -0.0061 0.1473 PRESSURE: 4868200 -80.2852 -65.7208 -120.715 -65.7219 -70.4523 -97.6407 -120.716 -97.6409 -177.477 GPRESSURE: 4868200 -12.3693 -45.5989 -102.234 -38.07 -87.0302 -92.5599 -18.2228 -51.6303 -133.977 PRESSAVG: 4868200 -22.7935 -4.95866 -19.4513 -4.95866 90.0725 10.1424 -19.4512 10.1425 -38.1189 GPRESSAVG: 4868200 -21.6754 -6.12307 -21.1673 -4.19543 90.339 10.6939 -18.4575 11.8561 -39.0958 TIMING: 4868200 CPU: 14616.1, 0.00294642/step Wall: 14616.1, 0.00294642/step, 0.107872 hours remaining, 208.882812 MB of memory in use. ENERGY: 4868200 733.7335 2086.7720 1958.8786 105.7122 -206553.3413 17862.6987 0.0000 0.0000 34466.0863 -149339.4599 301.0009 -183805.5462 -149245.6576 298.8921 -109.4049 -77.7921 557519.1423 9.7201 9.8559 LDB: ============= START OF LOAD BALANCING ============== 14619.6 LDB: ============== END OF LOAD BALANCING =============== 14619.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14619.6 LDB: ============= START OF LOAD BALANCING ============== 14619.9 LDB: Largest compute 4773 load 0.026621 is 22.5% of average load 0.118287 LDB: Average compute 0.001730 is 1.5% of average load 0.118287 LDB: TIME 14619.9 LOAD: AVG 0.118287 MAX 0.209065 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.996 MB LDB: TIME 14619.9 LOAD: AVG 0.118287 MAX 0.209065 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.199 MB LDB: TIME 14619.9 LOAD: AVG 0.118287 MAX 0.209065 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.199 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14619.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14619.9 PRESSURE: 4868400 -1.89793 -10.5029 110.512 -10.504 94.2318 -45.6526 110.513 -45.6533 -84.1483 GPRESSURE: 4868400 10.618 -29.3084 96.8472 32.1587 119.769 -50.0732 77.6361 30.1893 -27.0767 PRESSAVG: 4868400 39.1362 15.7362 39.484 15.7361 -16.1039 79.5704 39.484 79.5705 -18.8581 GPRESSAVG: 4868400 38.8203 14.3604 39.2462 16.9855 -16.0633 77.9776 38.4855 79.1724 -18.5066 TIMING: 4868400 CPU: 14616.7, 0.00301393/step Wall: 14616.7, 0.00301393/step, 0.110176 hours remaining, 212.320312 MB of memory in use. ENERGY: 4868400 712.9245 2054.5621 1952.5892 126.9142 -206609.8471 17783.8054 0.0000 0.0000 34543.1087 -149435.9430 301.6736 -183979.0517 -149338.2504 299.5200 2.7285 34.4369 556995.8620 1.3914 1.4168 PRESSURE: 4868600 21.9246 -67.8762 125.331 -67.8751 35.7261 -168.753 125.331 -168.751 -58.8857 GPRESSURE: 4868600 54.7421 -126.456 64.8596 0.340253 53.5832 -191.74 181.239 -183.333 -10.1337 PRESSAVG: 4868600 2.97398 -7.55316 65.1847 -7.55313 -14.23 -41.9102 65.1847 -41.9102 8.19649 GPRESSAVG: 4868600 2.27937 -7.52638 65.3227 -8.80712 -13.7587 -40.9804 65.7691 -43.4694 8.81534 TIMING: 4868600 CPU: 14617.2, 0.00294034/step Wall: 14617.2, 0.00294034/step, 0.107323 hours remaining, 212.320312 MB of memory in use. ENERGY: 4868600 725.1383 2109.3850 1964.1005 113.9422 -206676.8782 17954.4306 0.0000 0.0000 34337.6895 -149472.1919 299.8796 -183809.8815 -149379.5982 299.5300 -0.4117 32.7305 557227.3427 -1.0198 -0.8880 PRESSURE: 4868800 249.674 135.666 -12.1952 135.667 -28.331 118.249 -12.1945 118.249 295.513 GPRESSURE: 4868800 255.581 136.117 -26.2818 226.87 32.5333 162.067 -58.1569 106.026 321.419 PRESSAVG: 4868800 12.1102 -21.2304 57.9425 -21.2304 -20.2964 -39.9778 57.9425 -39.9778 37.8326 GPRESSAVG: 4868800 11.6807 -21.5603 58.2878 -20.7471 -19.3082 -39.41 56.7255 -38.9624 37.7339 TIMING: 4868800 CPU: 14617.8, 0.00294953/step Wall: 14617.8, 0.00294953/step, 0.107494 hours remaining, 212.320312 MB of memory in use. ENERGY: 4868800 768.5017 2003.3951 1940.4747 104.9554 -206558.4476 18054.2905 0.0000 0.0000 34300.8346 -149385.9955 299.5577 -183686.8301 -149292.1858 299.2422 172.2851 203.1779 554854.3159 9.8821 10.0355 PRESSURE: 4869000 -7.55357 14.2005 -36.5951 14.2013 129.078 -126.042 -36.5956 -126.041 25.1978 GPRESSURE: 4869000 31.8904 60.0576 -16.8281 9.10662 187.263 -127.321 -30.4105 -97.2374 17.4616 PRESSAVG: 4869000 44.2255 56.4124 -5.01025 56.4124 -32.6572 13.3325 -5.01024 13.3325 -7.69095 GPRESSAVG: 4869000 43.7399 58.1069 -5.18269 54.9564 -32.3038 13.9658 -3.24302 12.3703 -7.45973 TIMING: 4869000 CPU: 14618.4, 0.00293797/step Wall: 14618.4, 0.00293797/step, 0.106909 hours remaining, 212.320312 MB of memory in use. ENERGY: 4869000 740.1921 2059.9438 1941.8416 120.2635 -206041.5026 17629.7918 0.0000 0.0000 34396.2863 -149153.1834 300.3913 -183549.4697 -149048.0119 299.3700 48.9073 78.8717 556273.5676 1.2924 1.3254 PRESSURE: 4869200 210.121 59.3358 -84.8944 59.335 184.6 -120.367 -84.8939 -120.368 63.6746 GPRESSURE: 4869200 221.769 95.8519 -134.588 147.164 257.855 -26.7656 -42.4565 -235.378 70.5862 PRESSAVG: 4869200 -5.03207 24.6702 -18.1779 24.6702 -24.3356 -50.9532 -18.1779 -50.9531 -12.267 GPRESSAVG: 4869200 -4.48928 22.9734 -18.1675 27.5184 -24.8086 -50.7692 -20.4978 -50.3443 -12.5002 TIMING: 4869200 CPU: 14619, 0.00295849/step Wall: 14619, 0.00295849/step, 0.107492 hours remaining, 212.320312 MB of memory in use. ENERGY: 4869200 773.8578 2060.2111 1966.1242 123.0779 -206403.5612 18021.0318 0.0000 0.0000 34333.1850 -149126.0732 299.8402 -183459.2583 -149028.4067 300.2121 152.7984 183.4036 555665.2044 -13.8782 -13.9327 PRESSURE: 4869400 124.439 100.58 64.8833 100.581 -24.813 122.89 64.8843 122.891 148.248 GPRESSURE: 4869400 151.447 79.5395 150.154 167.627 30.2894 150.871 -56.4536 -42.2393 158.602 PRESSAVG: 4869400 48.6818 23.4897 -2.44897 23.4899 -19.3249 -56.1035 -2.44899 -56.1035 -31.2273 GPRESSAVG: 4869400 48.5717 23.467 -1.76697 22.7795 -19.6115 -55.6176 -0.838295 -57.5119 -30.7814 TIMING: 4869400 CPU: 14619.6, 0.00293383/step Wall: 14619.6, 0.00293383/step, 0.106433 hours remaining, 212.320312 MB of memory in use. ENERGY: 4869400 711.8331 2106.8092 1954.0029 119.2359 -206239.5989 17918.1535 0.0000 0.0000 34368.5676 -149060.9967 300.1492 -183429.5643 -148967.9200 299.4238 82.6247 113.4461 558062.5475 -0.6235 -0.6071 PRESSURE: 4869600 26.376 -104.153 11.3125 -104.153 -88.1215 101.13 11.3114 101.13 239.733 GPRESSURE: 4869600 73.8564 -92.0454 -48.3855 -75.9392 -75.6894 38.4141 16.5905 186.638 288.599 PRESSAVG: 4869600 30.3477 40.0255 -41.1305 40.0255 35.0966 0.3546 -41.1306 0.354648 -65.0182 GPRESSAVG: 4869600 30.6333 40.5205 -42.4191 39.2685 35.486 -2.85372 -41.3848 1.83508 -65.9989 TIMING: 4869600 CPU: 14620.2, 0.00294878/step Wall: 14620.2, 0.00294878/step, 0.106811 hours remaining, 212.320312 MB of memory in use. ENERGY: 4869600 761.1291 2116.6237 1952.7380 96.1436 -206555.8957 17866.8551 0.0000 0.0000 34464.9218 -149297.4844 300.9907 -183762.4062 -149202.6700 299.3812 59.3293 95.5888 556661.7854 0.1421 0.0401 PRESSURE: 4869800 103.077 104.217 -62.4326 104.216 357.05 13.1317 -62.4317 13.1325 -151.261 GPRESSURE: 4869800 163.829 173.368 -115.3 -31.5229 350.303 5.06752 -56.2194 36.3559 -98.6338 PRESSAVG: 4869800 -13.1456 -1.67853 48.3625 -1.67852 8.6516 -37.931 48.3626 -37.9311 -50.0476 GPRESSAVG: 4869800 -14.203 0.547846 46.818 -1.61521 8.80967 -35.1282 49.7468 -38.6043 -48.8908 TIMING: 4869800 CPU: 14620.8, 0.00295222/step Wall: 14620.8, 0.00295222/step, 0.106772 hours remaining, 212.320312 MB of memory in use. ENERGY: 4869800 760.9693 2075.0503 1931.2453 110.4436 -206055.6824 17800.3932 0.0000 0.0000 34248.4579 -149129.1228 299.1003 -183377.5807 -149029.8596 300.1091 102.9552 138.4994 557103.0236 -18.1805 -18.0947 PRESSURE: 4870000 66.0066 -45.6664 -57.3249 -45.6666 -2.62998 1.1724 -57.3251 1.17277 -214.306 GPRESSURE: 4870000 73.3061 -79.67 -61.3692 27.8573 7.67412 47.1674 -40.5996 -27.247 -132.362 PRESSAVG: 4870000 4.60167 8.45824 16.3038 8.45835 27.8088 -26.6894 16.3038 -26.6893 26.7399 GPRESSAVG: 4870000 5.85881 5.22229 18.4924 8.6843 28.3489 -29.6477 15.7994 -25.6589 25.8718 TIMING: 4870000 CPU: 14621.4, 0.00298081/step Wall: 14621.4, 0.00298081/step, 0.10764 hours remaining, 212.320312 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: 4870000 744.1800 2058.2337 1971.4806 121.9263 -205805.2844 17667.2214 0.0000 0.0000 34247.3450 -148994.8974 299.0906 -183242.2424 -148895.2191 299.8305 -50.3098 -17.1271 558658.0973 19.7168 20.0265 PRESSURE: 4870200 -110.548 112.615 120.421 112.616 65.7756 41.6287 120.421 41.6277 -90.1523 GPRESSURE: 4870200 -46.0071 76.7106 170.375 159.442 83.396 11.712 11.2315 31.5998 -62.4808 PRESSAVG: 4870200 -15.8297 1.32784 -3.62832 1.32783 -29.9098 -27.959 -3.62819 -27.959 27.0537 GPRESSAVG: 4870200 -15.3247 2.50917 -3.66784 1.88681 -30.7816 -25.0764 -5.38829 -27.9144 27.6989 TIMING: 4870200 CPU: 14622, 0.00301215/step Wall: 14622, 0.00301215/step, 0.108605 hours remaining, 212.320312 MB of memory in use. ENERGY: 4870200 780.6814 2030.5315 1925.3485 114.7606 -206110.8640 17777.4674 0.0000 0.0000 34496.0035 -148986.0712 301.2622 -183482.0747 -148888.4337 300.5169 -44.9749 -8.3640 557748.7409 -6.2286 -6.1358 PRESSURE: 4870400 -133.211 -8.47476 -266.559 -8.47469 111.022 8.35334 -266.56 8.3531 112.201 GPRESSURE: 4870400 -120.373 0.649087 -186.636 66.2608 125.299 65.7459 -272.78 46.2885 175.299 PRESSAVG: 4870400 -62.8496 33.2321 -48.9418 33.2321 22.8965 -25.0367 -48.9418 -25.0368 -3.31405 GPRESSAVG: 4870400 -63.5279 32.0844 -47.9782 32.6492 23.097 -23.8381 -48.9788 -25.7961 -3.19125 TIMING: 4870400 CPU: 14622.6, 0.00297385/step Wall: 14622.6, 0.00297385/step, 0.107059 hours remaining, 212.320312 MB of memory in use. ENERGY: 4870400 758.9389 2089.5394 1904.4941 109.2174 -206049.3500 17846.8659 0.0000 0.0000 34424.9505 -148915.3437 300.6417 -183340.2942 -148805.6196 299.7998 30.0040 60.0751 556779.8499 -14.4224 -14.5407 PRESSURE: 4870600 -90.8374 -115.759 -311.431 -115.759 -7.26182 -129.545 -311.431 -129.545 -226.961 GPRESSURE: 4870600 -119.262 -141.15 -368.793 -109.92 44.2542 -97.097 -287.663 -134.043 -152.98 PRESSAVG: 4870600 42.7221 -17.3528 -59.5859 -17.3528 -33.5713 -31.5574 -59.5858 -31.5574 -32.5319 GPRESSAVG: 4870600 43.3032 -15.1369 -59.4766 -19.249 -33.8482 -32.35 -58.4182 -31.2418 -32.3162 TIMING: 4870600 CPU: 14623.2, 0.0030183/step Wall: 14623.2, 0.0030183/step, 0.108491 hours remaining, 212.320312 MB of memory in use. ENERGY: 4870600 782.8507 2062.4789 1904.0031 114.1468 -206159.3223 17962.8666 0.0000 0.0000 34581.7702 -148751.2060 302.0112 -183332.9763 -148656.6543 300.5136 -108.3535 -75.9958 557976.0109 -7.7937 -7.6204 PRESSURE: 4870800 -121.745 3.60268 19.5579 3.60272 115.412 21.0453 19.5582 21.0434 -65.5789 GPRESSURE: 4870800 -88.1029 2.21224 40.4538 24.9406 137.141 38.7088 51.1451 -5.24863 -11.5304 PRESSAVG: 4870800 32.1109 -32.5079 -24.3159 -32.5078 7.83929 -20.0797 -24.316 -20.0798 -3.37546 GPRESSAVG: 4870800 32.2585 -31.1849 -24.1257 -31.8331 7.18629 -20.2577 -25.0185 -19.3087 -2.76399 TIMING: 4870800 CPU: 14623.8, 0.00302085/step Wall: 14623.8, 0.00302085/step, 0.108415 hours remaining, 212.320312 MB of memory in use. ENERGY: 4870800 745.4766 2118.9351 1943.6850 127.9169 -205848.5016 17689.4543 0.0000 0.0000 34367.0071 -148856.0266 300.1356 -183223.0337 -148758.4621 300.6174 -23.9707 12.5027 558503.7837 12.1916 12.2269 PRESSURE: 4871000 -148.924 -116.815 64.4086 -116.816 -41.9421 218.93 64.4087 218.93 -188.106 GPRESSURE: 4871000 -131.134 -122.361 101.011 -106.27 42.5092 189.802 82.1567 263.738 -192.29 PRESSAVG: 4871000 -30.269 -74.2985 2.10163 -74.2985 38.4389 51.2927 2.10167 51.2926 -6.36351 GPRESSAVG: 4871000 -30.6154 -76.8079 2.96122 -72.8523 39.402 52.8698 1.3769 49.9891 -6.96189 TIMING: 4871000 CPU: 14624.4, 0.00297072/step Wall: 14624.4, 0.00297072/step, 0.106451 hours remaining, 212.320312 MB of memory in use. ENERGY: 4871000 749.5884 2083.7408 1945.1399 123.9688 -206296.9370 17839.9544 0.0000 0.0000 34402.5492 -149151.9956 300.4460 -183554.5448 -149057.0362 299.6891 -126.3242 -93.6385 557845.6454 0.6021 0.6082 PRESSURE: 4871200 -34.198 -183.387 86.8817 -183.387 -79.897 -63.4228 86.8818 -63.4222 -218.71 GPRESSURE: 4871200 80.9548 -208.302 151.619 -215.909 -56.3244 -60.2492 71.5403 -21.6155 -264.418 PRESSAVG: 4871200 -14.6264 -35.4438 50.4606 -35.4438 17.5834 28.6367 50.4606 28.6367 -25.7957 GPRESSAVG: 4871200 -14.1279 -35.166 49.009 -35.988 16.6362 27.1759 51.2406 29.8181 -25.1956 TIMING: 4871200 CPU: 14625, 0.0029631/step Wall: 14625, 0.0029631/step, 0.106013 hours remaining, 212.320312 MB of memory in use. ENERGY: 4871200 767.8829 2066.3822 1937.7323 107.3326 -206160.7312 17664.5931 0.0000 0.0000 34391.0266 -149225.7815 300.3454 -183616.8081 -149129.0664 299.4676 -110.9349 -79.9293 556999.3216 -7.6129 -7.5624 PRESSURE: 4871400 171.622 0.886924 -69.6486 0.886463 262.669 16.7621 -69.6486 16.762 226.066 GPRESSURE: 4871400 244.061 -87.9273 -49.7245 66.889 212.54 33.1389 -113.908 8.87817 300.594 PRESSAVG: 4871400 37.7894 15.6332 26.827 15.6334 12.3694 -20.8214 26.827 -20.8214 -51.189 GPRESSAVG: 4871400 38.5431 13.9041 26.8572 17.6799 12.7323 -18.4497 26.6661 -22.3052 -52.0272 TIMING: 4871400 CPU: 14625.6, 0.00296591/step Wall: 14625.6, 0.00296591/step, 0.105949 hours remaining, 212.320312 MB of memory in use. ENERGY: 4871400 746.5998 2040.2413 1953.1345 118.9134 -206528.4628 18089.3812 0.0000 0.0000 34381.0066 -149199.1858 300.2579 -183580.1925 -149096.7130 299.5995 220.1191 252.3985 556061.7051 -0.3434 -0.2506 PRESSURE: 4871600 87.6617 100.064 82.2871 100.065 223.514 -150.906 82.2856 -150.906 0.081927 GPRESSURE: 4871600 119.661 156.929 -8.63817 31.071 268.084 -184.157 140.687 -141.518 13.9111 PRESSAVG: 4871600 -8.2769 -10.2073 -6.06248 -10.2072 -43.2859 -21.0675 -6.0624 -21.0675 -3.65375 GPRESSAVG: 4871600 -9.06785 -6.55279 -8.12147 -13.8994 -43.0264 -21.1283 -4.36428 -20.9927 -2.8804 TIMING: 4871600 CPU: 14626.2, 0.00298371/step Wall: 14626.2, 0.00298371/step, 0.106419 hours remaining, 212.320312 MB of memory in use. ENERGY: 4871600 730.5812 2113.1677 1933.3516 110.7368 -206097.7895 17904.1306 0.0000 0.0000 34270.4942 -149035.3273 299.2927 -183305.8215 -148945.9671 299.7301 103.7525 133.8853 557210.6583 -18.4055 -18.3249 PRESSURE: 4871800 127.19 64.6134 -82.7872 64.6132 30.6184 87.8872 -82.787 87.8872 -80.9144 GPRESSURE: 4871800 206.282 108.281 -48.3322 14.5895 23.0388 168.061 -97.0553 102.55 -56.0821 PRESSAVG: 4871800 -9.10752 -21.9442 -38.5235 -21.9442 -7.15992 -0.746722 -38.5235 -0.746654 -33.2708 GPRESSAVG: 4871800 -9.21855 -23.221 -37.5024 -19.4343 -7.36524 -2.97938 -38.7832 0.935056 -32.4952 TIMING: 4871800 CPU: 14626.8, 0.00297235/step Wall: 14626.8, 0.00297235/step, 0.105849 hours remaining, 212.320312 MB of memory in use. ENERGY: 4871800 740.9661 2074.6415 1946.6465 108.2104 -205998.1402 17823.0099 0.0000 0.0000 34434.6093 -148870.0567 300.7260 -183304.6660 -148775.5602 299.5560 25.6313 57.7464 556992.9816 -16.5127 -16.3597 PRESSURE: 4872000 -112.909 -169.804 22.7144 -169.804 -80.6202 30.5836 22.713 30.5834 247.657 GPRESSURE: 4872000 -92.9399 -141.789 -18.6675 -134.067 -40.8547 -36.8236 46.7829 59.6443 300.198 PRESSAVG: 4872000 -15.7441 -34.2172 -3.38743 -34.2171 40.8777 6.3581 -3.38745 6.35815 25.0484 GPRESSAVG: 4872000 -16.2056 -35.4465 -0.956934 -36.5647 41.3861 7.23806 -5.827 5.31613 24.7089 TIMING: 4872000 CPU: 14627.3, 0.0029565/step Wall: 14627.3, 0.0029565/step, 0.10512 hours remaining, 212.320312 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: 4872000 722.6160 2061.7890 1916.2988 108.0576 -205745.8658 17757.5607 0.0000 0.0000 34312.9251 -148866.6186 299.6633 -183179.5437 -148779.3973 300.5707 18.0424 55.4679 558778.0450 16.7273 16.6298 PRESSURE: 4872200 301.864 -1.34576 46.8567 -1.34487 32.6594 14.858 46.8563 14.859 41.5275 GPRESSURE: 4872200 380.84 79.1166 49.4961 -118.389 63.8911 129.342 -19.5108 -80.1601 28.4077 PRESSAVG: 4872200 -2.53042 -1.02109 -48.8962 -1.02106 -19.8976 -17.5871 -48.8962 -17.5872 47.2273 GPRESSAVG: 4872200 -1.92794 -1.62564 -52.0852 1.02975 -19.672 -18.2811 -45.9558 -16.6813 46.7991 TIMING: 4872200 CPU: 14627.9, 0.00296742/step Wall: 14627.9, 0.00296742/step, 0.105343 hours remaining, 212.320312 MB of memory in use. ENERGY: 4872200 730.9591 2111.4275 1923.5273 103.5364 -206234.9386 17990.0610 0.0000 0.0000 34551.5129 -148823.9145 301.7470 -183375.4273 -148724.6212 300.1627 125.3504 157.7128 557346.9875 8.2664 8.3997 LDB: ============= START OF LOAD BALANCING ============== 14631.5 LDB: ============== END OF LOAD BALANCING =============== 14631.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14631.5 LDB: ============= START OF LOAD BALANCING ============== 14631.8 LDB: Largest compute 4774 load 0.026343 is 22.3% of average load 0.118228 LDB: Average compute 0.001726 is 1.5% of average load 0.118228 LDB: TIME 14631.8 LOAD: AVG 0.118228 MAX 0.213994 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.543 MB LDB: TIME 14631.8 LOAD: AVG 0.118228 MAX 0.213994 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.609 MB LDB: TIME 14631.8 LOAD: AVG 0.118228 MAX 0.213994 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.609 MB LDB: ============== END OF LOAD BALANCING =============== 14631.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14631.8 PRESSURE: 4872400 57.2653 -35.7145 42.2566 -35.7151 27.7732 -90.0847 42.2574 -90.0855 -59.5955 GPRESSURE: 4872400 48.1482 -101.686 63.7506 15.5341 110.438 -116.537 78.4981 -109.849 -37.1286 PRESSAVG: 4872400 -31.7653 39.5818 14.3193 39.5819 55.2846 -6.9018 14.3192 -6.90187 -28.4979 GPRESSAVG: 4872400 -33.014 40.7259 16.693 38.8213 55.6141 -7.77406 13.4735 -5.69896 -27.4727 TIMING: 4872400 CPU: 14628.5, 0.00302407/step Wall: 14628.5, 0.00302407/step, 0.107187 hours remaining, 209.804688 MB of memory in use. ENERGY: 4872400 710.2745 2074.0928 1932.0771 118.1414 -205692.5050 17631.0683 0.0000 0.0000 34382.7005 -148844.1504 300.2727 -183226.8509 -148746.8589 300.6386 8.4810 40.4858 558816.6723 -1.6595 -1.6242 PRESSURE: 4872600 -20.7134 -93.5864 129.144 -93.5873 -77.0815 -69.01 129.144 -69.0088 -17.6209 GPRESSURE: 4872600 20.2168 -65.441 206.655 -91.6614 -69.1089 57.4774 52.7779 -152.079 28.6165 PRESSAVG: 4872600 51.8545 -70.1164 26.7796 -70.1164 -17.4759 -30.0588 26.7796 -30.0587 -22.1041 GPRESSAVG: 4872600 52.4353 -70.7948 24.8773 -67.5667 -16.9733 -27.3438 25.8935 -32.0458 -23.1775 TIMING: 4872600 CPU: 14629.1, 0.00298936/step Wall: 14629.1, 0.00298936/step, 0.10579 hours remaining, 210.062500 MB of memory in use. ENERGY: 4872600 731.6624 2116.3559 1917.7875 105.6811 -205877.6146 17847.5043 0.0000 0.0000 34294.4381 -148864.1854 299.5019 -183158.6235 -148775.0334 300.3363 -38.4719 -6.7585 559257.3652 4.0915 4.0948 PRESSURE: 4872800 43.8959 -178.796 -106.364 -178.797 27.4848 -124.018 -106.363 -124.017 -52.1511 GPRESSURE: 4872800 71.1851 -204.753 -86.1794 -123.087 56.2663 -80.201 -89.7864 -196.279 -11.6942 PRESSAVG: 4872800 -10.5128 -72.3749 14.5137 -72.375 29.4256 10.7101 14.5137 10.7102 -29.5554 GPRESSAVG: 4872800 -9.92282 -73.388 15.0184 -73.2775 28.4536 8.81267 15.5838 12.0557 -29.3399 TIMING: 4872800 CPU: 14629.7, 0.00301682/step Wall: 14629.7, 0.00301682/step, 0.106594 hours remaining, 210.062500 MB of memory in use. ENERGY: 4872800 713.3235 2084.8235 1940.7302 122.4956 -206010.3925 17812.6771 0.0000 0.0000 34330.7227 -149005.6199 299.8187 -183336.3426 -148904.8291 299.8911 6.4098 38.5857 557487.3413 -3.5475 -3.6030 PRESSURE: 4873000 23.2484 49.8879 -29.1345 49.8879 -91.2674 -79.7362 -29.1349 -79.7354 -252.612 GPRESSURE: 4873000 102.25 54.2489 -30.8602 -7.75335 -117.758 -78.0894 -28.9595 -51.9363 -209.877 PRESSAVG: 4873000 24.6297 -90.7558 39.473 -90.7557 -19.6718 -31.2549 39.473 -31.2549 24.9804 GPRESSAVG: 4873000 24.0524 -90.8814 38.7701 -90.1767 -19.7185 -30.9565 39.3311 -33.1652 25.565 TIMING: 4873000 CPU: 14630.3, 0.00300598/step Wall: 14630.3, 0.00300598/step, 0.106044 hours remaining, 210.062500 MB of memory in use. ENERGY: 4873000 741.4757 2118.0921 1950.1691 106.4278 -206157.4525 17697.7038 0.0000 0.0000 34504.5604 -149039.0237 301.3369 -183543.5840 -148939.0183 299.9835 -106.8770 -75.1284 558516.2068 9.9794 9.9663 PRESSURE: 4873200 -234.811 -44.3875 -155.231 -44.3868 13.5083 -19.7368 -155.23 -19.7367 46.5782 GPRESSURE: 4873200 -235.363 -45.4745 -47.3954 -11.4834 28.7217 -9.91542 -226.54 10.7853 120.514 PRESSAVG: 4873200 76.4907 -32.1806 24.619 -32.1805 -19.0445 -52.5835 24.619 -52.5836 -21.764 GPRESSAVG: 4873200 76.4906 -28.855 26.8055 -32.84 -19.4068 -51.7631 23.7673 -52.84 -21.827 TIMING: 4873200 CPU: 14630.9, 0.00297465/step Wall: 14630.9, 0.00297465/step, 0.104774 hours remaining, 210.062500 MB of memory in use. ENERGY: 4873200 792.4708 2149.2253 1944.1188 123.7939 -206470.1346 17925.4734 0.0000 0.0000 34542.2139 -148992.8385 301.6657 -183535.0524 -148897.8355 300.6838 -58.2413 -28.7090 558483.4115 11.8941 11.7523 PRESSURE: 4873400 -176.66 150.429 34.6666 150.428 -376.962 -38.2143 34.666 -38.2152 -163.169 GPRESSURE: 4873400 -129.805 133.799 2.53748 219.667 -320.903 -57.799 -53.1843 40.004 -164.431 PRESSAVG: 4873400 10.7831 55.2767 13.158 55.2766 -21.4468 7.91014 13.158 7.91007 4.68664 GPRESSAVG: 4873400 10.2733 53.7732 13.2147 53.3251 -21.524 5.63857 13.6698 9.86585 4.70299 TIMING: 4873400 CPU: 14631.5, 0.00297735/step Wall: 14631.5, 0.00297735/step, 0.104703 hours remaining, 210.132812 MB of memory in use. ENERGY: 4873400 766.4982 2098.5323 1936.7068 115.5614 -206112.4627 17666.8057 0.0000 0.0000 34261.7034 -149266.6548 299.2160 -183528.3582 -149166.4130 300.1143 -238.9300 -205.0461 558869.1828 -1.9924 -2.1826 PRESSURE: 4873600 314.397 99.4136 -161.309 99.4128 305.742 82.6361 -161.31 82.6374 320.869 GPRESSURE: 4873600 335.229 105.571 -110.514 74.8243 384.999 69.2133 -290.713 60.8948 319.637 PRESSAVG: 4873600 1.46798 39.9205 4.06255 39.9205 -4.35459 46.3273 4.06256 46.3272 -18.4668 GPRESSAVG: 4873600 2.88378 39.4837 4.76861 43.3916 -4.77391 45.624 3.78465 48.2062 -19.4047 TIMING: 4873600 CPU: 14632.1, 0.00298993/step Wall: 14632.1, 0.00298993/step, 0.10498 hours remaining, 210.132812 MB of memory in use. ENERGY: 4873600 690.8722 2112.1290 1957.3371 116.3238 -206833.1606 18257.6655 0.0000 0.0000 34282.9605 -149415.8726 299.4016 -183698.8330 -149315.1182 298.4452 313.6692 346.6218 556236.4448 -7.1178 -7.0983 PRESSURE: 4873800 234.143 -113.735 83.5892 -113.734 152.798 77.4239 83.5897 77.4231 101.232 GPRESSURE: 4873800 221.943 -182.166 78.4681 -54.5783 227.154 203.088 133.84 7.21661 134.601 PRESSAVG: 4873800 61.9374 16.4775 36.5031 16.4774 -26.6316 48.8642 36.5031 48.8643 6.46501 GPRESSAVG: 4873800 60.8911 18.2161 35.128 11.8415 -24.4498 51.3848 35.9566 47.297 5.91552 TIMING: 4873800 CPU: 14632.7, 0.00299481/step Wall: 14632.7, 0.00299481/step, 0.104985 hours remaining, 210.132812 MB of memory in use. ENERGY: 4873800 724.6375 2058.9256 1924.5142 102.3847 -206796.1658 18067.9285 0.0000 0.0000 34318.8939 -149598.8815 299.7154 -183917.7754 -149500.0816 298.8054 162.7248 194.5659 556160.8656 13.9236 14.1190 PRESSURE: 4874000 -90.3929 -77.8054 20.7547 -77.8058 -283.554 -135.3 20.7552 -135.301 -383.121 GPRESSURE: 4874000 -10.1661 -125.79 -54.3754 -21.4586 -249.495 -140.03 80.361 -97.4902 -402.822 PRESSAVG: 4874000 -7.15635 -28.9938 -8.83141 -28.9938 14.1202 -25.7347 -8.83133 -25.7346 14.6254 GPRESSAVG: 4874000 -6.62833 -29.4299 -7.12056 -25.8471 13.0072 -28.0642 -8.50577 -23.4014 14.945 TIMING: 4874000 CPU: 14633.3, 0.00298951/step Wall: 14633.3, 0.00298951/step, 0.104633 hours remaining, 210.132812 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: 4874000 753.5973 2086.5627 1979.2942 103.5051 -206287.4465 17692.2289 0.0000 0.0000 34169.6493 -149502.6090 298.4120 -183672.2583 -149410.5565 299.1880 -252.3559 -220.8276 559102.2221 7.1964 7.1080 PRESSURE: 4874200 152.702 143.159 90.2138 143.159 -27.506 137.796 90.2137 137.795 -4.23325 GPRESSURE: 4874200 210.218 135.648 148.079 154.454 -30.0308 34.5627 56.7421 115.663 24.398 PRESSAVG: 4874200 31.4755 9.30671 -16.8288 9.30676 -7.7654 -4.38992 -16.8287 -4.38988 -20.7392 GPRESSAVG: 4874200 32.1219 10.2266 -17.1805 7.96145 -8.85823 -1.77414 -16.4845 -6.39078 -20.2842 TIMING: 4874200 CPU: 14633.9, 0.00298758/step Wall: 14633.9, 0.00298758/step, 0.104399 hours remaining, 210.132812 MB of memory in use. ENERGY: 4874200 747.3745 2110.2339 1950.1476 114.9661 -206608.7678 18013.9005 0.0000 0.0000 34216.4842 -149455.6609 298.8211 -183672.1451 -149357.7399 298.6623 40.3209 68.1951 559080.5642 0.9903 0.9931 PRESSURE: 4874400 -149.906 182.46 3.15006 182.461 -182.81 -25.2132 3.15117 -25.2144 -51.1381 GPRESSURE: 4874400 -95.1386 183.334 -54.0162 167.303 -113.471 -11.1525 62.2189 6.85437 -77.2263 PRESSAVG: 4874400 8.89437 -34.3538 -27.5683 -34.3539 -22.3652 37.8189 -27.5683 37.819 14.0852 GPRESSAVG: 4874400 8.20459 -36.3182 -26.7157 -35.4331 -21.299 36.6105 -27.693 39.4069 13.6632 TIMING: 4874400 CPU: 14634.5, 0.00296514/step Wall: 14634.5, 0.00296514/step, 0.10345 hours remaining, 210.132812 MB of memory in use. ENERGY: 4874400 788.0636 2097.0674 1941.1110 112.6217 -206129.7321 17742.9823 0.0000 0.0000 34097.8848 -149350.0013 297.7853 -183447.8861 -149252.7077 298.4959 -127.9514 -95.2787 558753.4842 0.2048 0.1896 PRESSURE: 4874600 -209.143 -82.4503 122.345 -82.4513 -134.033 117.416 122.345 117.416 -175.896 GPRESSURE: 4874600 -198.817 -75.6459 90.3817 17.6079 -67.5873 18.4054 54.2882 138.023 -177.53 PRESSAVG: 4874600 23.0458 -25.3461 -40.5414 -25.3462 -89.8391 -65.3528 -40.5414 -65.3528 70.7934 GPRESSAVG: 4874600 22.0366 -25.7772 -40.2243 -23.4752 -89.2046 -62.5307 -39.089 -66.8481 71.0487 TIMING: 4874600 CPU: 14635.1, 0.00299843/step Wall: 14635.1, 0.00299843/step, 0.104445 hours remaining, 210.132812 MB of memory in use. ENERGY: 4874600 791.6185 2087.1295 1943.8218 119.6050 -206072.1146 17587.4485 0.0000 0.0000 34256.5551 -149285.9363 299.1710 -183542.4914 -149182.7154 298.5669 -173.0239 -147.9779 558163.1290 1.3334 1.2936 PRESSURE: 4874800 -150.542 -1.18767 -132.161 -1.18869 202.737 -43.8848 -132.161 -43.8844 -91.1463 GPRESSURE: 4874800 -46.6547 -44.3606 -69.2045 -2.24255 121.64 -122.105 -125.536 -28.331 -13.3401 PRESSAVG: 4874800 10.3197 -2.52158 21.5979 -2.52147 -38.8526 -37.466 21.5981 -37.4658 46.2586 GPRESSAVG: 4874800 11.4773 0.258679 20.5794 -4.40093 -39.993 -40.6964 20.9032 -37.9376 46.7412 TIMING: 4874800 CPU: 14635.7, 0.00297981/step Wall: 14635.7, 0.00297981/step, 0.103631 hours remaining, 210.132812 MB of memory in use. ENERGY: 4874800 734.2570 2153.1934 1920.6363 119.0812 -206093.4732 17828.5022 0.0000 0.0000 34132.0043 -149205.7987 298.0833 -183337.8030 -149109.9985 299.9671 -12.9838 20.5483 558139.2217 5.9086 6.0751 PRESSURE: 4875000 190.77 -53.6572 13.6329 -53.6579 58.9885 -86.6248 13.634 -86.6244 70.7112 GPRESSURE: 4875000 187.712 -66.3873 2.79277 -27.2162 147.317 -127.175 3.12008 -97.1415 86.3332 PRESSAVG: 4875000 12.2058 13.6587 7.10001 13.6588 -7.59294 -28.4171 7.09998 -28.417 8.16257 GPRESSAVG: 4875000 11.8536 12.2579 7.93214 15.8109 -6.85901 -25.1843 5.61526 -29.0178 8.10889 TIMING: 4875000 CPU: 14636.3, 0.00297939/step Wall: 14636.3, 0.00297939/step, 0.103451 hours remaining, 210.132812 MB of memory in use. ENERGY: 4875000 752.3894 2082.0756 1964.3562 124.9517 -206635.3351 18160.2063 0.0000 0.0000 34321.1736 -149230.1823 299.7353 -183551.3558 -149140.0741 299.0892 106.8233 140.4542 557982.7336 4.2585 4.3678 PRESSURE: 4875200 -12.8483 -172.026 -32.9473 -172.027 -406.765 -131.473 -32.9476 -131.473 -110.363 GPRESSURE: 4875200 1.50487 -231 36.3733 -153.95 -355.69 -116.375 -1.9544 -227.122 -73.7311 PRESSAVG: 4875200 -8.16528 -72.3325 13.8229 -72.3325 -52.5033 -18.5324 13.8229 -18.5323 42.4832 GPRESSAVG: 4875200 -7.57631 -72.0479 12.8869 -73.465 -52.5513 -20.829 16.8594 -16.6683 42.2512 TIMING: 4875200 CPU: 14636.9, 0.00297969/step Wall: 14636.9, 0.00297969/step, 0.103296 hours remaining, 210.132812 MB of memory in use. ENERGY: 4875200 736.5068 2101.7699 1937.0134 113.3554 -205899.5842 17498.7302 0.0000 0.0000 34323.4351 -149188.7734 299.7551 -183512.2085 -149093.6665 299.2427 -176.6589 -142.6387 558165.4278 -6.0618 -5.9588 PRESSURE: 4875400 141.411 5.67003 117.312 5.67056 126.289 48.6116 117.314 48.6113 -2.16699 GPRESSURE: 4875400 174.254 -24.4946 16.1078 -13.8624 149.761 59.9489 109.817 -40.9231 39.0743 PRESSAVG: 4875400 96.8012 -10.7579 -0.721952 -10.7579 -92.1775 -51.9039 -0.721897 -51.9039 -14.8076 GPRESSAVG: 4875400 95.9711 -11.4593 -0.814143 -9.35769 -91.2046 -53.7638 -1.67993 -50.3298 -15.3292 TIMING: 4875400 CPU: 14637.5, 0.00296654/step Wall: 14637.5, 0.00296654/step, 0.102675 hours remaining, 210.132812 MB of memory in use. ENERGY: 4875400 740.4284 2136.8253 1979.2713 108.4925 -206054.2811 17911.3199 0.0000 0.0000 34053.8498 -149124.0938 297.4007 -183177.9436 -149027.6463 299.3923 88.5113 121.0295 556783.4382 -3.3946 -3.5209 PRESSURE: 4875600 -303.298 74.6113 41.8122 74.6113 -246.146 -42.8179 41.8122 -42.8175 -66.6969 GPRESSURE: 4875600 -289.488 71.1083 95.0893 105.386 -194.772 -52.4975 7.28319 -44.2035 -41.1286 PRESSAVG: 4875600 -14.6933 14.4523 10.3094 14.4523 4.45733 -19.1439 10.3094 -19.1439 47.411 GPRESSAVG: 4875600 -13.0745 13.1296 11.3938 14.2233 3.02085 -18.8002 10.172 -19.5321 47.2385 TIMING: 4875600 CPU: 14638.1, 0.00298418/step Wall: 14638.1, 0.00298418/step, 0.10312 hours remaining, 210.132812 MB of memory in use. ENERGY: 4875600 736.4855 2092.8392 1930.9101 111.4765 -205943.1122 17577.2763 0.0000 0.0000 34246.3443 -149247.7803 299.0818 -183494.1246 -149154.4371 298.7948 -205.3804 -175.1296 558964.4245 12.3917 12.3949 PRESSURE: 4875800 -203.207 70.5694 6.66076 70.5697 -55.9221 35.1531 6.6601 35.1555 -91.9944 GPRESSURE: 4875800 -197.25 36.2881 -8.38527 113.032 21.3348 138.353 30.3467 -53.8693 -74.0028 PRESSAVG: 4875800 3.38725 -74.7124 47.3581 -74.7124 -31.2428 -49.196 47.3582 -49.196 37.9087 GPRESSAVG: 4875800 0.969508 -74.0988 47.4436 -74.6616 -30.6321 -48.7848 47.3453 -49.3908 39.5741 TIMING: 4875800 CPU: 14638.7, 0.00298554/step Wall: 14638.7, 0.00298554/step, 0.103001 hours remaining, 210.132812 MB of memory in use. ENERGY: 4875800 722.3197 2039.0943 1950.3020 110.9999 -206060.3222 17704.9869 0.0000 0.0000 34178.7333 -149353.8862 298.4914 -183532.6195 -149264.0509 298.7336 -117.0412 -83.3061 557781.8471 3.3511 3.3038 PRESSURE: 4876000 80.1284 -184.163 -63.4086 -184.161 272.698 -12.6759 -63.4073 -12.6749 119.186 GPRESSURE: 4876000 108.828 -113.556 -91.7478 -225.4 334.823 -16.3253 -4.58028 53.4891 121.676 PRESSAVG: 4876000 25.3183 -30.4591 -35.6254 -30.4591 -7.8951 41.684 -35.6255 41.684 -2.83744 GPRESSAVG: 4876000 26.2462 -29.4167 -36.7527 -30.9836 -8.22059 42.0181 -34.8462 42.0321 -3.63734 TIMING: 4876000 CPU: 14639.3, 0.00296767/step Wall: 14639.3, 0.00296767/step, 0.10222 hours remaining, 210.132812 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: 4876000 709.0010 2047.9812 1934.8420 106.0292 -206730.4936 18075.3578 0.0000 0.0000 34401.8565 -149455.4258 300.4400 -183857.2823 -149351.3999 298.7176 157.3374 188.4422 556000.0655 4.8619 4.7961 PRESSURE: 4876200 212.08 -25.8194 -163.514 -25.8192 -13.4759 126.526 -163.515 126.526 233.547 GPRESSURE: 4876200 206.671 73.388 -73.5205 -134.048 55.9426 96.0974 -139.937 63.9679 264.169 PRESSAVG: 4876200 6.0956 -11.9493 -50.0576 -11.9493 18.0903 30.8415 -50.0575 30.8414 -21.0081 GPRESSAVG: 4876200 6.06933 -11.4912 -50.754 -12.1439 18.1373 32.7855 -49.8543 27.6003 -21.0409 TIMING: 4876200 CPU: 14639.9, 0.00298329/step Wall: 14639.9, 0.00298329/step, 0.102592 hours remaining, 210.132812 MB of memory in use. ENERGY: 4876200 721.4130 2061.6464 1926.3992 101.3203 -206366.4239 17957.0094 0.0000 0.0000 34174.6622 -149423.9735 298.4558 -183598.6357 -149324.1104 298.5776 144.0505 175.5944 556139.7293 1.0593 1.0552 LDB: ============= START OF LOAD BALANCING ============== 14643.4 LDB: ============== END OF LOAD BALANCING =============== 14643.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14643.4 LDB: ============= START OF LOAD BALANCING ============== 14643.7 LDB: Largest compute 4773 load 0.026888 is 22.7% of average load 0.118218 LDB: Average compute 0.001720 is 1.5% of average load 0.118218 LDB: TIME 14643.7 LOAD: AVG 0.118218 MAX 0.219433 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.031 MB LDB: TIME 14643.7 LOAD: AVG 0.118218 MAX 0.219433 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.031 MB LDB: TIME 14643.7 LOAD: AVG 0.118218 MAX 0.219433 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.031 MB LDB: ============== END OF LOAD BALANCING =============== 14643.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14643.7 PRESSURE: 4876400 -53.7402 -154.961 -68.5779 -154.961 61.8027 111.208 -68.5783 111.207 18.4854 GPRESSURE: 4876400 -41.6139 -129.331 -82.316 -175.848 117.69 28.4255 -13.5779 115.651 45.4702 PRESSAVG: 4876400 -28.82 -2.69067 -63.6909 -2.69068 -19.3491 28.7769 -63.6909 28.777 16.4235 GPRESSAVG: 4876400 -29.6335 -3.25613 -62.5738 -3.93137 -17.8559 28.514 -64.5423 29.8663 15.938 TIMING: 4876400 CPU: 14640.5, 0.00307224/step Wall: 14640.5, 0.00307224/step, 0.10548 hours remaining, 211.609375 MB of memory in use. ENERGY: 4876400 721.4102 2049.8208 1935.4277 102.0944 -206155.8917 17771.3727 0.0000 0.0000 34150.9099 -149424.8559 298.2484 -183575.7658 -149329.8901 298.3674 8.8493 40.5153 556103.4504 -10.5819 -10.5171 PRESSURE: 4876600 -65.423 -35.9043 91.4048 -35.9036 2.27208 -204.68 91.4067 -204.679 137.865 GPRESSURE: 4876600 -54.6992 -34.81 110.948 -65.7108 85.98 -274.829 94.5399 -142.648 161.669 PRESSAVG: 4876600 -4.98623 -41.1599 -32.7034 -41.16 22.6951 6.18869 -32.7035 6.18866 -1.42162 GPRESSAVG: 4876600 -3.92788 -42.8785 -33.8169 -38.3751 20.925 7.26329 -29.993 6.61401 -1.10813 TIMING: 4876600 CPU: 14641.1, 0.00304065/step Wall: 14641.1, 0.00304065/step, 0.104227 hours remaining, 211.679688 MB of memory in use. ENERGY: 4876600 755.2549 2078.8960 1940.6712 114.9072 -206215.9965 17774.6295 0.0000 0.0000 34156.8621 -149394.7756 298.3004 -183551.6377 -149298.1935 298.8940 24.9048 64.3166 555013.2021 5.4291 5.2963 PRESSURE: 4876800 -176.068 -35.5518 -195.319 -35.5522 -136.605 -146.302 -195.317 -146.303 -223.153 GPRESSURE: 4876800 -150.114 2.36052 -154.239 -141.275 -74.5848 -167.949 -93.2676 -161.226 -200.585 PRESSAVG: 4876800 -41.8606 1.37946 8.3239 1.37935 37.7054 -45.9545 8.32392 -45.9546 13.9219 GPRESSAVG: 4876800 -41.1557 5.04082 6.87064 -0.27584 37.7054 -47.7971 7.53459 -46.0572 13.0989 TIMING: 4876800 CPU: 14641.7, 0.00295731/step Wall: 14641.7, 0.00295731/step, 0.101206 hours remaining, 211.679688 MB of memory in use. ENERGY: 4876800 725.8837 2119.2326 1936.0653 103.1236 -205997.5793 17418.8136 0.0000 0.0000 33992.5540 -149701.9065 296.8654 -183694.4605 -149602.4590 297.1289 -178.6086 -141.7614 555988.1531 3.2556 3.2162 PRESSURE: 4877000 94.6295 -6.93426 -97.5556 -6.93514 -107.308 41.4399 -97.5563 41.4389 116.115 GPRESSURE: 4877000 117.539 -13.3928 -85.7663 -29.547 -122.5 41.4367 -36.3478 67.5371 202.245 PRESSAVG: 4877000 -12.877 -6.98527 -23.8285 -6.98537 103.524 -41.1567 -23.8285 -41.1567 -61.3761 GPRESSAVG: 4877000 -14.1944 -11.9399 -21.5572 -3.76286 102.823 -40.4487 -27.7011 -42.2572 -59.6107 TIMING: 4877000 CPU: 14642.3, 0.00294518/step Wall: 14642.3, 0.00294518/step, 0.100627 hours remaining, 211.679688 MB of memory in use. ENERGY: 4877000 756.1276 2130.5884 1925.7894 111.0728 -206649.3217 18048.9975 0.0000 0.0000 34179.8971 -149496.8489 298.5015 -183676.7460 -149405.7989 298.5690 34.4788 65.7611 555787.4369 9.7569 9.6726 PRESSURE: 4877200 -28.0139 91.2573 77.3624 91.2564 72.4293 96.9359 77.3636 96.9359 -225.596 GPRESSURE: 4877200 36.8192 84.4629 95.28 82.8583 67.2234 125.042 3.01038 2.11711 -195.441 PRESSAVG: 4877200 29.9673 12.231 12.9752 12.2311 23.6817 7.74369 12.9752 7.74373 -59.077 GPRESSAVG: 4877200 30.7639 12.6384 10.7465 10.2879 23.8481 8.49754 16.498 8.82883 -59.4741 TIMING: 4877200 CPU: 14642.9, 0.00297316/step Wall: 14642.9, 0.00297316/step, 0.101418 hours remaining, 211.679688 MB of memory in use. ENERGY: 4877200 761.8413 2144.5550 1949.5960 109.6062 -206333.1713 17719.8802 0.0000 0.0000 34086.7615 -149560.9312 297.6882 -183647.6927 -149467.6269 299.1380 -60.3935 -30.4661 555613.4492 -1.8093 -1.6207 PRESSURE: 4877400 -11.3247 -14.145 171.159 -14.1458 131.947 -201.12 171.159 -201.117 -212.37 GPRESSURE: 4877400 29.3833 -1.50982 196.324 -58.7233 142.086 -212.909 255.245 -223.525 -183.613 PRESSAVG: 4877400 6.70275 -3.27836 68.9885 -3.27835 79.2032 -20.0779 68.9886 -20.0779 -59.3874 GPRESSAVG: 4877400 5.37904 -2.90509 70.4136 -3.29711 79.8678 -21.1962 67.0206 -20.6808 -58.4975 TIMING: 4877400 CPU: 14643.5, 0.00298171/step Wall: 14643.5, 0.00298171/step, 0.101544 hours remaining, 211.679688 MB of memory in use. ENERGY: 4877400 708.8397 2089.5980 1936.9596 108.9209 -206132.8098 17583.6123 0.0000 0.0000 34265.1687 -149439.7105 299.2462 -183704.8793 -149340.7815 298.4525 -30.5824 -4.0480 555588.3385 8.8395 8.9164 PRESSURE: 4877600 -0.92069 7.45188 -71.033 7.45196 -210.838 -70.7937 -71.0335 -70.7927 88.8577 GPRESSURE: 4877600 12.2484 158.543 21.9135 27.1065 -165.663 -160.957 -22.2716 4.77161 128.815 PRESSAVG: 4877600 -30.4637 19.4182 15.4995 19.4183 63.719 -5.19948 15.4995 -5.1995 -26.3429 GPRESSAVG: 4877600 -29.5636 22.8392 16.6388 16.9301 62.6605 -6.99799 16.0732 -4.91511 -26.3327 TIMING: 4877600 CPU: 14644.1, 0.0029835/step Wall: 14644.1, 0.0029835/step, 0.101439 hours remaining, 211.679688 MB of memory in use. ENERGY: 4877600 773.7455 2032.8415 1945.5742 122.2322 -205991.5190 17645.1948 0.0000 0.0000 34314.3491 -149157.5817 299.6757 -183471.9308 -149063.1106 299.0378 -40.9669 -8.2001 556323.2188 2.3042 2.2547 PRESSURE: 4877800 -99.0576 24.9522 18.3188 24.9523 -0.735852 41.7655 18.3187 41.7665 -228.601 GPRESSURE: 4877800 -44.2643 38.7886 -0.127904 33.3972 -49.9533 55.1379 -10.8755 42.3288 -141.146 PRESSAVG: 4877800 0.975054 54.0934 43.3363 54.0935 12.7301 37.8426 43.3363 37.8427 -73.3166 GPRESSAVG: 4877800 0.712865 50.5887 40.728 56.3513 13.2682 39.7731 45.8229 38.0752 -73.7434 TIMING: 4877800 CPU: 14644.7, 0.00296474/step Wall: 14644.7, 0.00296474/step, 0.100636 hours remaining, 211.679688 MB of memory in use. ENERGY: 4877800 762.7581 2122.8480 1939.0025 105.1714 -205809.6451 17562.8410 0.0000 0.0000 34057.2623 -149259.7619 297.4305 -183317.0242 -149165.1351 299.4245 -109.4648 -78.4547 557586.8907 -19.8705 -19.9208 PRESSURE: 4878000 148.164 109.191 56.8738 109.192 60.0038 132.11 56.8747 132.11 -315.589 GPRESSURE: 4878000 157.723 92.9181 75.0339 183.388 56.2189 174.419 -2.41867 162.038 -234.854 PRESSAVG: 4878000 -5.99971 42.6234 19.4336 42.6234 30.6941 83.1535 19.4336 83.1534 21.436 GPRESSAVG: 4878000 -5.5272 42.3047 21.0077 41.4955 30.104 84.0317 15.9564 81.8234 21.6576 TIMING: 4878000 CPU: 14645.3, 0.00297664/step Wall: 14645.3, 0.00297664/step, 0.100875 hours remaining, 211.679688 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: 4878000 744.4589 2138.8236 1953.8922 109.2214 -206305.9414 17845.3107 0.0000 0.0000 34098.4035 -149415.8310 297.7898 -183514.2345 -149317.4874 299.2384 -35.8072 -6.9710 557204.1654 15.3768 15.4115 PRESSURE: 4878200 306.574 8.78338 -97.7273 8.78357 -313.058 -60.6668 -97.7267 -60.6683 247.442 GPRESSURE: 4878200 383.87 -19.8422 -210.609 -65.1277 -222.109 -27.4126 -64.7896 -148.311 172.164 PRESSAVG: 4878200 -55.1437 12.2018 42.424 12.2018 33.8065 39.9426 42.4239 39.9426 5.13606 GPRESSAVG: 4878200 -55.7689 14.3862 40.0093 13.4084 35.4703 39.4326 44.8518 40.6267 4.27104 TIMING: 4878200 CPU: 14645.9, 0.00296047/step Wall: 14645.9, 0.00296047/step, 0.100162 hours remaining, 211.679688 MB of memory in use. ENERGY: 4878200 763.2136 2115.7496 1963.4083 113.5242 -206394.0238 17996.4516 0.0000 0.0000 34252.1468 -149189.5297 299.1325 -183441.6764 -149095.2210 298.7748 80.3193 111.3085 556531.9873 -5.4004 -5.3425 PRESSURE: 4878400 -214.299 -12.757 -5.26873 -12.7562 -158.98 23.0826 -5.26861 23.0841 -101.696 GPRESSURE: 4878400 -129.356 51.5708 -14.636 -33.6024 -107.214 -39.5836 -0.371662 22.0922 -142.645 PRESSAVG: 4878400 2.19389 -12.1488 11.8657 -12.1488 10.2345 7.5372 11.8657 7.53717 15.7726 GPRESSAVG: 4878400 2.07048 -10.7665 15.2351 -14.0269 9.56216 5.98408 8.86448 9.1224 16.4437 TIMING: 4878400 CPU: 14646.5, 0.00296937/step Wall: 14646.5, 0.00296937/step, 0.100299 hours remaining, 211.679688 MB of memory in use. ENERGY: 4878400 776.1495 2082.7600 1950.7318 99.4033 -205847.0175 17447.9327 0.0000 0.0000 34420.4008 -149069.6394 300.6019 -183490.0402 -148964.4180 299.6906 -158.3250 -126.4050 557229.1831 9.4003 9.3588 PRESSURE: 4878600 161.585 -174.166 12.6788 -174.166 84.5466 -44.879 12.6789 -44.8803 168.297 GPRESSURE: 4878600 173.747 -155.404 90.4245 -157.386 129.181 -25.122 -27.6858 -41.5316 210.758 PRESSAVG: 4878600 52.011 -23.5318 53.3411 -23.5317 -49.3546 -36.3944 53.3411 -36.3943 -28.3443 GPRESSAVG: 4878600 51.803 -24.5814 51.8858 -23.7437 -49.3456 -37.0247 53.4696 -39.3762 -28.1647 TIMING: 4878600 CPU: 14647, 0.00296003/step Wall: 14647, 0.00296003/step, 0.0998188 hours remaining, 211.679688 MB of memory in use. ENERGY: 4878600 747.3487 2095.6518 1948.9982 120.3201 -206298.2685 17968.5925 0.0000 0.0000 34252.1620 -149165.1952 299.1327 -183417.3572 -149067.8150 299.4832 138.1429 171.2285 555801.7802 -8.5626 -8.5691 PRESSURE: 4878800 -320.497 -20.9263 34.3555 -20.9256 -206.406 -100.072 34.3559 -100.072 71.0401 GPRESSURE: 4878800 -302.519 -15.9786 48.622 -70.0437 -166.414 -167.474 -66.9566 -68.7481 90.5672 PRESSAVG: 4878800 32.8842 -37.5727 -12.7512 -37.5726 -43.3241 19.5655 -12.7512 19.5655 10.6905 GPRESSAVG: 4878800 33.011 -39.0294 -11.4173 -37.8958 -42.8103 19.9266 -13.1738 21.6466 10.0848 TIMING: 4878800 CPU: 14647.6, 0.00295676/step Wall: 14647.6, 0.00295676/step, 0.0995441 hours remaining, 211.679688 MB of memory in use. ENERGY: 4878800 762.2337 2128.6883 1938.1051 123.3489 -205867.6589 17502.2633 0.0000 0.0000 34249.3832 -149163.6364 299.1084 -183413.0196 -149061.9401 299.2390 -151.9546 -126.1217 557501.8474 0.0836 0.0951 PRESSURE: 4879000 -50.2932 31.4452 49.8986 31.444 22.9873 -45.8335 49.8986 -45.833 -214.439 GPRESSURE: 4879000 18.0982 34.4269 24.3214 2.0031 71.2673 -9.10294 78.5254 -148.021 -227.644 PRESSAVG: 4879000 -26.5944 42.9171 22.4156 42.9171 56.4853 41.8172 22.4156 41.8172 -22.2112 GPRESSAVG: 4879000 -26.0228 42.261 21.8959 43.3767 55.1524 43.4604 24.5726 39.9957 -21.9126 TIMING: 4879000 CPU: 14648.2, 0.00294698/step Wall: 14648.2, 0.00294698/step, 0.0990511 hours remaining, 211.679688 MB of memory in use. ENERGY: 4879000 746.0567 2110.9838 1926.0698 111.6619 -206413.5126 17854.8507 0.0000 0.0000 34452.5897 -149211.2999 300.8830 -183663.8897 -149114.3039 299.8457 -80.5817 -46.0928 558016.0335 2.5599 2.4057 PRESSURE: 4879200 -35.2218 37.1509 -35.7403 37.1495 -63.106 177.676 -35.741 177.675 17.9191 GPRESSURE: 4879200 -17.105 12.6633 -34.3241 39.8293 -93.883 185.489 19.1323 188.282 128.955 PRESSAVG: 4879200 22.6375 -19.6819 -0.227212 -19.6819 2.85415 3.02611 -0.227101 3.02624 -3.6538 GPRESSAVG: 4879200 22.8655 -19.8237 -1.56946 -17.7428 2.92414 1.08326 -1.1425 5.16207 -3.70878 TIMING: 4879200 CPU: 14648.8, 0.00295918/step Wall: 14648.8, 0.00295918/step, 0.0992969 hours remaining, 211.679688 MB of memory in use. ENERGY: 4879200 785.6170 2097.8519 1937.5034 115.5940 -206634.8768 18092.0947 0.0000 0.0000 34237.7059 -149368.5099 299.0064 -183606.2158 -149268.9672 298.9648 -26.8029 5.9890 558147.2553 7.2793 7.3603 PRESSURE: 4879400 -84.7612 -1.77953 21.0179 -1.77879 30.1412 -114.094 21.0177 -114.093 10.8958 GPRESSURE: 4879400 -52.4081 93.6941 -20.4983 -43.8215 95.6939 -77.716 33.753 -104.475 11.2619 PRESSAVG: 4879400 52.9495 11.8605 0.179957 11.8605 -27.8746 31.5712 0.179994 31.5713 39.6656 GPRESSAVG: 4879400 52.7734 14.3587 1.38478 8.43493 -27.4045 30.0972 -0.745075 32.9285 39.5756 TIMING: 4879400 CPU: 14649.4, 0.00297419/step Wall: 14649.4, 0.00297419/step, 0.0996353 hours remaining, 211.679688 MB of memory in use. ENERGY: 4879400 731.7455 2093.5927 1946.7031 101.3351 -206378.2694 17853.3759 0.0000 0.0000 34246.4729 -149405.0441 299.0830 -183651.5170 -149304.6518 299.1024 -14.5747 18.1825 556691.8944 21.5802 21.6482 PRESSURE: 4879600 -230.154 44.3209 -74.1727 44.321 -242.751 154.912 -74.171 154.908 -19.4243 GPRESSURE: 4879600 -207.86 72.1675 -107.81 143.213 -220.26 209.566 -35.6809 131.795 24.4183 PRESSAVG: 4879600 -12.062 9.29941 23.7404 9.29933 -17.0336 -37.6619 23.7405 -37.6618 50.3073 GPRESSAVG: 4879600 -12.382 8.68229 21.5581 11.7189 -16.6738 -34.5576 26.0895 -40.7498 49.8733 TIMING: 4879600 CPU: 14650, 0.00298088/step Wall: 14650, 0.00298088/step, 0.0996939 hours remaining, 211.679688 MB of memory in use. ENERGY: 4879600 727.5763 2066.5570 1930.3928 108.5706 -206076.7607 17537.8119 0.0000 0.0000 34193.1447 -149512.7074 298.6172 -183705.8522 -149414.6571 299.2110 -164.1097 -134.5670 557086.4770 7.0706 6.9391 PRESSURE: 4879800 97.2376 -33.8793 8.50468 -33.8795 135.434 -1.42509 8.50502 -1.42543 108.274 GPRESSURE: 4879800 94.9499 -12.68 -44.6241 -16.2642 144.432 -29.5068 -48.4667 39.5211 206.608 PRESSAVG: 4879800 -61.6195 -2.51458 -23.316 -2.51452 -29.3937 14.9905 -23.3159 14.9905 81.3253 GPRESSAVG: 4879800 -61.5625 -3.62026 -19.4599 -2.95061 -29.2792 13.5997 -26.5794 16.3195 81.2836 TIMING: 4879800 CPU: 14650.6, 0.00298154/step Wall: 14650.6, 0.00298154/step, 0.0995502 hours remaining, 211.679688 MB of memory in use. ENERGY: 4879800 753.7880 2145.1822 1937.0757 114.9693 -206738.4325 18053.3933 0.0000 0.0000 34264.3489 -149469.6751 299.2391 -183734.0240 -149372.0408 298.4822 113.6485 148.6633 557041.5506 -3.2293 -3.1860 PRESSURE: 4880000 160.522 25.9488 22.3161 25.9482 98.6298 220.584 22.3155 220.585 -15.7931 GPRESSURE: 4880000 199.584 95.4076 33.3313 5.73297 97.9072 190.242 -48.6809 211.268 43.3466 PRESSAVG: 4880000 -3.06995 -11.0781 -18.6049 -11.0779 -31.3989 22.3543 -18.6048 22.3543 61.6823 GPRESSAVG: 4880000 -3.56032 -11.4718 -20.3733 -8.7384 -31.6894 23.3568 -15.2752 21.2628 62.8104 TIMING: 4880000 CPU: 14651.2, 0.00297381/step Wall: 14651.2, 0.00297381/step, 0.0991271 hours remaining, 211.679688 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: 4880000 772.0958 2188.6140 1957.8723 116.8879 -207189.9472 18269.1336 0.0000 0.0000 34457.3411 -149428.0025 300.9245 -183885.3436 -149333.3684 298.7294 81.1195 113.6127 556407.4482 9.0712 9.1869 PRESSURE: 4880200 -113.788 -39.1551 -117.975 -39.1549 -292.159 -246.004 -117.977 -246.005 -411.769 GPRESSURE: 4880200 -27.0065 -70.5549 -92.0698 -105.084 -317.538 -230.17 -139.513 -282.932 -359.206 PRESSAVG: 4880200 45.3882 36.1281 -16.2641 36.1281 37.8238 -30.7945 -16.2641 -30.7946 -49.6092 GPRESSAVG: 4880200 45.103 37.7866 -17.5759 33.9465 37.6555 -31.5289 -15.4135 -30.6146 -49.34 TIMING: 4880200 CPU: 14651.8, 0.00300741/step Wall: 14651.8, 0.00300741/step, 0.10008 hours remaining, 211.679688 MB of memory in use. ENERGY: 4880200 779.6989 2087.3562 1960.3728 111.0150 -206203.3330 17546.7961 0.0000 0.0000 34287.5036 -149430.5904 299.4413 -183718.0940 -149334.0941 298.9844 -272.5722 -234.5836 556839.3895 11.2009 11.1395 LDB: ============= START OF LOAD BALANCING ============== 14655.3 LDB: ============== END OF LOAD BALANCING =============== 14655.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14655.3 LDB: ============= START OF LOAD BALANCING ============== 14655.6 LDB: Largest compute 4773 load 0.026395 is 22.3% of average load 0.118307 LDB: Average compute 0.001727 is 1.5% of average load 0.118307 LDB: TIME 14655.6 LOAD: AVG 0.118307 MAX 0.214426 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.816 MB LDB: TIME 14655.6 LOAD: AVG 0.118307 MAX 0.214426 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.816 MB LDB: TIME 14655.6 LOAD: AVG 0.118307 MAX 0.214426 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.816 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14655.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14655.6 PRESSURE: 4880400 157.808 6.07058 57.8638 6.07082 -121.518 8.59011 57.8641 8.59232 -115.473 GPRESSURE: 4880400 174.041 56.76 -0.219521 -26.6359 -99.9691 -119.5 114.85 135.217 -58.9195 PRESSAVG: 4880400 33.6793 -33.5476 78.1588 -33.5476 -43.2288 -23.2785 78.1587 -23.2785 -14.7132 GPRESSAVG: 4880400 33.5808 -34.717 79.1226 -32.0516 -43.7996 -23.9697 75.5304 -23.9468 -14.3031 TIMING: 4880400 CPU: 14652.4, 0.00305325/step Wall: 14652.4, 0.00305325/step, 0.101436 hours remaining, 207.750000 MB of memory in use. ENERGY: 4880400 748.8115 2089.6913 1933.0913 123.7516 -206535.2068 17751.2645 0.0000 0.0000 34342.2911 -149546.3054 299.9198 -183888.5965 -149444.5873 298.6366 -26.3946 5.0507 556068.9906 -8.0876 -8.1740 PRESSURE: 4880600 -343.262 17.0448 -16.275 17.044 124.648 152.222 -16.2746 152.221 149.568 GPRESSURE: 4880600 -336.16 7.92059 -67.2858 -23.0487 175.268 130.146 -49.2136 121.267 179.574 PRESSAVG: 4880600 26.7 -6.16938 17.3332 -6.16941 12.1372 -4.97368 17.3331 -4.97376 0.468898 GPRESSAVG: 4880600 26.9134 -8.53982 15.1586 -6.85581 12.6295 -6.25534 20.9494 -3.09935 -0.00992443 TIMING: 4880600 CPU: 14653, 0.0030333/step Wall: 14653, 0.0030333/step, 0.100605 hours remaining, 207.953125 MB of memory in use. ENERGY: 4880600 754.1203 2084.5059 1927.6424 119.8821 -206374.4326 17641.8022 0.0000 0.0000 34361.6078 -149484.8718 300.0885 -183846.4796 -149383.6578 299.2982 -23.0152 6.2273 554962.3841 13.1021 13.1777 PRESSURE: 4880800 -27.711 7.36787 34.8919 7.36805 14.1401 67.1835 34.8931 67.1835 -86.5422 GPRESSURE: 4880800 -36.3428 134.529 -20.9999 -37.2827 43.8546 43.2396 64.4903 111.661 -21.1363 PRESSAVG: 4880800 3.31746 34.123 13.8812 34.123 30.3748 4.60454 13.8812 4.60446 10.5567 GPRESSAVG: 4880800 3.0046 35.8506 12.9671 34.814 30.3275 6.35151 11.5614 3.6956 10.9456 TIMING: 4880800 CPU: 14653.6, 0.00302392/step Wall: 14653.6, 0.00302392/step, 0.100125 hours remaining, 207.953125 MB of memory in use. ENERGY: 4880800 797.0291 2092.3844 1940.0977 108.0887 -206547.6456 17847.5128 0.0000 0.0000 34248.7734 -149513.7594 299.1031 -183762.5328 -149413.9235 298.8959 -33.3710 -4.5415 556177.9685 14.7496 14.7592 PRESSURE: 4881000 18.2361 -132.367 251.812 -132.367 272.583 -131.625 251.811 -131.623 -32.7676 GPRESSURE: 4881000 100.699 -183.782 202.823 -138.831 265.048 -137.251 258.399 -96.7793 -24.7237 PRESSAVG: 4881000 -32.7095 -1.2504 11.2548 -1.25038 -26.1241 18.2644 11.2549 18.2645 37.9983 GPRESSAVG: 4881000 -31.4577 -2.36146 13.8374 -0.483265 -26.6479 17.609 10.5892 19.3741 37.1315 TIMING: 4881000 CPU: 14654.2, 0.00299477/step Wall: 14654.2, 0.00299477/step, 0.0989938 hours remaining, 207.953125 MB of memory in use. ENERGY: 4881000 765.0751 2050.3921 1918.3670 107.6179 -206847.2893 18047.1083 0.0000 0.0000 34290.4961 -149668.2328 299.4674 -183958.7288 -149572.0429 298.5470 86.0173 113.6744 556951.9080 -6.9451 -6.9914 PRESSURE: 4881200 129.245 -62.2449 -83.0274 -62.2455 94.7901 37.2004 -83.0283 37.2 162.369 GPRESSURE: 4881200 131.046 -77.0309 -141.176 -51.5251 134.247 36.3699 -106.081 80.7947 205.319 PRESSAVG: 4881200 -4.62725 23.6968 -52.1858 23.6968 48.5729 11.4435 -52.1859 11.4434 -17.0548 GPRESSAVG: 4881200 -4.90012 24.8887 -54.5275 22.8457 49.5 13.1047 -50.3974 9.97782 -17.005 TIMING: 4881200 CPU: 14654.8, 0.00297616/step Wall: 14654.8, 0.00297616/step, 0.0982133 hours remaining, 207.953125 MB of memory in use. ENERGY: 4881200 722.6129 2076.2119 1933.7597 117.4485 -206765.1081 17900.1395 0.0000 0.0000 34253.9205 -149761.0152 299.1480 -184014.9357 -149661.3521 298.8052 128.8014 156.8708 556032.4149 8.9636 9.1983 PRESSURE: 4881400 311.346 -161.053 14.8844 -161.052 -130.729 -15.4049 14.8832 -15.404 -239.202 GPRESSURE: 4881400 286.638 -151.691 9.3311 -137.153 -73.5903 -81.7679 19.7102 42.2199 -167.456 PRESSAVG: 4881400 -12.1353 23.6193 -42.2553 23.6193 45.9123 -9.16286 -42.2553 -9.16288 20.395 GPRESSAVG: 4881400 -11.8704 25.4304 -41.999 23.9264 45.9266 -11.3688 -42.6173 -7.96114 20.1869 TIMING: 4881400 CPU: 14655.4, 0.00299576/step Wall: 14655.4, 0.00299576/step, 0.0986935 hours remaining, 207.953125 MB of memory in use. ENERGY: 4881400 729.1630 2114.8755 1948.5840 115.1639 -206616.9491 17925.5011 0.0000 0.0000 34255.2986 -149528.3631 299.1600 -183783.6617 -149430.5676 298.3672 -19.5283 15.1970 557363.1826 18.0574 18.0810 PRESSURE: 4881600 -8.68714 -43.7434 70.6511 -43.7446 -12.5518 66.8503 70.651 66.8508 137.06 GPRESSURE: 4881600 41.2086 -81.0943 10.3146 -79.8863 50.0944 94.9179 176.468 14.7167 107.413 PRESSAVG: 4881600 93.0707 16.9486 -23.5197 16.9487 -40.1269 17.8804 -23.5198 17.8802 -48.1776 GPRESSAVG: 4881600 92.9784 15.7891 -22.3308 15.3157 -39.4943 19.642 -22.4072 17.1326 -49.2458 TIMING: 4881600 CPU: 14656, 0.0029646/step Wall: 14656, 0.0029646/step, 0.0975023 hours remaining, 207.953125 MB of memory in use. ENERGY: 4881600 732.4074 2071.5519 1989.7112 118.4658 -206360.5183 17864.8092 0.0000 0.0000 34120.8177 -149462.7552 297.9856 -183583.5729 -149364.9132 298.0970 38.6071 66.2386 557414.9008 1.5887 1.4128 PRESSURE: 4881800 -435.593 7.30662 -44.264 7.30739 54.7764 16.5406 -44.262 16.5415 174.661 GPRESSURE: 4881800 -329.086 17.2362 -13.7168 -86.4434 78.1574 -31.7451 -148.953 54.0813 157.908 PRESSAVG: 4881800 -34.4157 2.35062 -3.08337 2.35065 -22.2009 31.7624 -3.0834 31.7624 49.4212 GPRESSAVG: 4881800 -35.1546 1.46349 -2.21526 4.38241 -22.1635 32.1484 -5.45288 33.254 50.3362 TIMING: 4881800 CPU: 14656.6, 0.00298376/step Wall: 14656.6, 0.00298376/step, 0.0979668 hours remaining, 207.953125 MB of memory in use. ENERGY: 4881800 743.4799 2082.6703 1945.6025 113.6859 -206455.9972 17696.0388 0.0000 0.0000 34333.4089 -149541.1109 299.8422 -183874.5197 -149444.4653 298.0364 -68.7187 -31.0072 557645.5127 -2.3984 -2.3273 PRESSURE: 4882000 -135.948 42.7491 61.3454 42.7477 185.671 -104.283 61.3459 -104.281 146.545 GPRESSURE: 4882000 -38.6166 46.2226 -12.1904 29.357 147.85 -147.907 100.157 -29.2342 174.559 PRESSAVG: 4882000 -23.9751 6.98068 -15.3879 6.98061 -32.6542 -39.1614 -15.388 -39.1615 41.2145 GPRESSAVG: 4882000 -21.9566 8.28287 -14.2539 4.36096 -33.433 -38.6348 -16.15 -40.0272 39.8427 TIMING: 4882000 CPU: 14657.2, 0.00298183/step Wall: 14657.2, 0.00298183/step, 0.0977377 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: 4882000 777.0274 2058.1829 1947.7417 97.5763 -206026.0486 17820.8560 0.0000 0.0000 34051.0414 -149273.6229 297.3762 -183324.6643 -149179.8333 298.7587 65.4227 94.5975 557685.0821 -5.1383 -5.1823 PRESSURE: 4882200 -46.8844 -60.1812 -2.31592 -60.1814 69.6151 120.061 -2.31367 120.062 143.183 GPRESSURE: 4882200 16.1335 -73.3546 70.5008 -95.7532 70.3679 95.0654 25.0231 82.9197 180.229 PRESSAVG: 4882200 -31.9953 -1.55448 -59.5968 -1.55454 -45.0926 28.2081 -59.5968 28.2079 40.218 GPRESSAVG: 4882200 -32.6043 -5.52898 -61.1211 1.89609 -46.1 25.9457 -59.6846 30.1877 41.4202 TIMING: 4882200 CPU: 14657.8, 0.0029906/step Wall: 14657.8, 0.0029906/step, 0.097859 hours remaining, 207.953125 MB of memory in use. ENERGY: 4882200 765.5543 2041.6781 1959.9691 112.8934 -206440.8142 17887.6895 0.0000 0.0000 34419.6611 -149253.3688 300.5955 -183673.0298 -149155.3043 299.5771 55.3047 88.9103 556757.6949 -12.2900 -12.4280 PRESSURE: 4882400 -108.279 -214.245 62.0728 -214.245 -49.843 -55.0489 62.0719 -55.0496 -263.632 GPRESSURE: 4882400 -84.6816 -177.932 108.157 -201.635 -20.3679 -88.6307 31.5646 -30.2265 -230.528 PRESSAVG: 4882400 71.567 -59.3987 -17.4551 -59.3986 -18.2693 16.5444 -17.4552 16.5445 -48.55 GPRESSAVG: 4882400 70.9927 -57.2498 -17.1989 -59.1988 -17.359 19.8782 -14.3703 14.3806 -48.8597 TIMING: 4882400 CPU: 14658.4, 0.00296363/step Wall: 14658.4, 0.00296363/step, 0.096812 hours remaining, 208.156250 MB of memory in use. ENERGY: 4882400 757.5623 2045.6325 1953.8382 114.8201 -206142.5866 17669.9022 0.0000 0.0000 34389.9530 -149210.8783 300.3360 -183600.8313 -149114.6995 299.6169 -140.5845 -111.8593 557950.7372 1.5826 1.5913 PRESSURE: 4882600 -164.758 97.8506 -202.736 97.8501 71.892 -63.3451 -202.736 -63.3445 -3.98451 GPRESSURE: 4882600 -133.854 91.0003 -225.114 -9.27708 93.5874 -14.0958 -162.624 -134.689 40.9958 PRESSAVG: 4882600 -58.0551 30.5167 42.6546 30.5166 93.6286 -32.0759 42.6545 -32.0761 -40.4585 GPRESSAVG: 4882600 -59.1363 31.4518 42.9326 28.3573 92.9398 -34.2859 42.2835 -31.8254 -39.1812 TIMING: 4882600 CPU: 14659, 0.00297244/step Wall: 14659, 0.00297244/step, 0.0969346 hours remaining, 208.156250 MB of memory in use. ENERGY: 4882600 792.2154 2096.0512 1953.4390 107.7440 -205877.1535 17835.7852 0.0000 0.0000 33867.4656 -149224.4530 295.7730 -183091.9187 -149136.1991 299.4767 -32.2834 0.2429 558617.5895 -1.6283 -1.7926 PRESSURE: 4882800 -211.271 78.0215 45.6264 78.023 -240.652 -28.1521 45.6253 -28.1504 49.6795 GPRESSURE: 4882800 -171.623 71.5708 -40.3231 73.4204 -218.838 81.6876 -15.025 -17.7586 80.1889 PRESSAVG: 4882800 -93.4448 23.1066 18.7417 23.1066 30.4878 22.3403 18.7419 22.3405 71.1583 GPRESSAVG: 4882800 -91.4857 20.0156 18.0912 25.8899 30.236 25.0902 17.9615 22.814 69.2952 TIMING: 4882800 CPU: 14659.6, 0.00296313/step Wall: 14659.6, 0.00296313/step, 0.0964665 hours remaining, 208.156250 MB of memory in use. ENERGY: 4882800 723.3871 2069.5245 1937.3417 114.6433 -205830.3395 17471.8558 0.0000 0.0000 34348.2000 -149165.3869 299.9714 -183513.5869 -149070.3524 299.1399 -134.0812 -103.4241 557905.2802 2.7338 2.6818 PRESSURE: 4883000 -346.941 207.129 1.80356 207.128 -141.606 7.77437 1.80334 7.77439 -263.137 GPRESSURE: 4883000 -301.037 218.59 23.9797 145.111 -129.298 39.0649 9.42633 -26.9759 -214.376 PRESSAVG: 4883000 12.5579 17.3779 7.08703 17.3779 20.778 48.9101 7.08711 48.9102 -50.8209 GPRESSAVG: 4883000 11.6533 21.1901 7.90593 12.9613 19.8798 47.0864 7.3079 48.1813 -49.2487 TIMING: 4883000 CPU: 14660.2, 0.00295975/step Wall: 14660.2, 0.00295975/step, 0.0961918 hours remaining, 208.156250 MB of memory in use. ENERGY: 4883000 737.8098 2045.4455 1967.8086 102.4031 -205987.7120 17518.0330 0.0000 0.0000 34377.8881 -149238.3238 300.2306 -183616.2119 -149133.3090 299.2804 -250.5615 -214.9035 557544.1534 -5.8283 -5.9052 PRESSURE: 4883200 108.832 -88.977 11.6662 -88.9782 -179.216 90.8991 11.6675 90.8999 -126.381 GPRESSURE: 4883200 134.362 -131.537 1.65382 -65.3731 -116.812 58.4836 -42.5585 18.3881 -97.5254 PRESSAVG: 4883200 113.444 -4.89621 -91.101 -4.89618 -43.2105 5.5657 -91.101 5.5656 -46.3119 GPRESSAVG: 4883200 111.826 -6.67213 -92.6256 -1.19515 -41.5665 5.31514 -91.6833 5.56044 -46.3782 TIMING: 4883200 CPU: 14660.8, 0.00298402/step Wall: 14660.8, 0.00298402/step, 0.096815 hours remaining, 208.156250 MB of memory in use. ENERGY: 4883200 772.8698 2082.4277 1915.6835 114.6347 -206299.2545 17925.6830 0.0000 0.0000 34081.2823 -149406.6735 297.6403 -183487.9559 -149314.5926 299.3779 -65.5883 -26.6586 558117.7146 7.9739 7.9605 PRESSURE: 4883400 -121.993 172.418 -217.14 172.418 18.439 64.2549 -217.141 64.2559 -164.364 GPRESSURE: 4883400 -155.495 149.776 -187.501 272.744 57.8082 110.857 -177.082 4.73137 -62.9748 PRESSAVG: 4883400 35.7463 19.6714 -27.6577 19.6714 31.0073 25.4768 -27.6578 25.4768 -56.9527 GPRESSAVG: 4883400 34.9534 18.7021 -24.8507 20.1506 30.8359 25.7853 -27.1684 23.7104 -56.8709 TIMING: 4883400 CPU: 14661.4, 0.00299178/step Wall: 14661.4, 0.00299178/step, 0.0969006 hours remaining, 208.156250 MB of memory in use. ENERGY: 4883400 772.2976 2095.0025 1918.6701 111.2318 -206326.1056 17909.7686 0.0000 0.0000 34282.2223 -149236.9126 299.3952 -183519.1349 -149141.8072 299.1261 -89.3061 -53.5539 559251.6926 3.2670 2.9728 PRESSURE: 4883600 16.678 -93.4536 39.5044 -93.4537 64.24 -21.3422 39.5052 -21.342 -238.298 GPRESSURE: 4883600 51.8546 -26.8548 -47.5403 -36.3943 101.486 -52.9777 39.7529 65.1737 -217.949 PRESSAVG: 4883600 57.5092 6.1406 -46.7076 6.14067 -14.853 -9.15973 -46.7077 -9.15972 -37.0821 GPRESSAVG: 4883600 58.846 8.63511 -48.3493 2.43594 -16.012 -8.74779 -46.2019 -7.66101 -37.804 TIMING: 4883600 CPU: 14662, 0.00296387/step Wall: 14662, 0.00296387/step, 0.0958318 hours remaining, 208.156250 MB of memory in use. ENERGY: 4883600 802.2803 2116.5121 1957.4642 110.1875 -206553.3779 17906.2384 0.0000 0.0000 34437.3748 -149223.3206 300.7502 -183660.6954 -149130.3649 298.9991 -52.4598 -21.5361 557246.1494 1.8580 1.6767 PRESSURE: 4883800 36.3553 20.5654 -13.3803 20.5641 -211.334 43.6057 -13.3811 43.6031 37.8152 GPRESSURE: 4883800 79.8715 -62.8309 -42.9269 5.88101 -204.126 95.8312 11.4559 -33.7301 81.2349 PRESSAVG: 4883800 53.1394 -27.2919 26.3092 -27.2919 -19.989 34.6624 26.3093 34.6623 -19.1739 GPRESSAVG: 4883800 53.7977 -28.2864 27.5377 -25.4802 -19.574 31.7871 25.419 35.2143 -19.4557 TIMING: 4883800 CPU: 14662.6, 0.00297689/step Wall: 14662.6, 0.00297689/step, 0.0960874 hours remaining, 208.156250 MB of memory in use. ENERGY: 4883800 792.4140 2087.5062 1926.9494 117.0471 -206320.5689 17917.0140 0.0000 0.0000 34211.5313 -149268.1070 298.7778 -183479.6383 -149161.3512 299.2237 -45.7213 -14.3398 558143.7623 4.6588 4.9227 PRESSURE: 4884000 170.372 -104.006 -135.408 -104.007 -202.834 -86.2885 -135.408 -86.2862 -122.496 GPRESSURE: 4884000 196.444 -92.2686 -38.4145 -37.842 -182.819 -28.611 -152.58 -92.7442 -77.451 PRESSAVG: 4884000 57.947 16.9882 -27.3836 16.9881 -14.1983 -27.516 -27.3835 -27.516 -26.8627 GPRESSAVG: 4884000 57.1891 16.9189 -27.6171 17.054 -14.0114 -26.8777 -27.812 -29.6773 -26.3201 TIMING: 4884000 CPU: 14663.1, 0.00296708/step Wall: 14663.1, 0.00296708/step, 0.0956059 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: 4884000 773.3124 2113.8460 1967.2145 104.0093 -206339.7651 17944.6045 0.0000 0.0000 34199.7448 -149237.0335 298.6749 -183436.7783 -149142.5713 299.5202 -51.6528 -21.2753 558310.8279 5.6287 5.6192 PRESSURE: 4884200 129.142 137.452 -32.0448 137.452 168.241 66.1738 -32.0466 66.1725 -138.228 GPRESSURE: 4884200 164.16 86.5122 -59.0602 101.846 237.426 -53.4602 -2.57081 72.9373 -147.967 PRESSAVG: 4884200 21.0049 -19.3944 1.40722 -19.3944 30.9344 19.5691 1.40718 19.569 -46.1109 GPRESSAVG: 4884200 22.651 -18.4635 1.08815 -18.791 30.6185 19.8673 0.908547 19.9632 -47.3854 TIMING: 4884200 CPU: 14663.7, 0.00298339/step Wall: 14663.7, 0.00298339/step, 0.0959658 hours remaining, 208.156250 MB of memory in use. ENERGY: 4884200 730.8129 2095.1180 1950.3628 107.5929 -206351.6793 17938.9842 0.0000 0.0000 34089.5608 -149439.2477 297.7126 -183528.8086 -149346.9050 298.9258 53.0519 84.5399 557461.0968 1.9428 1.9614 LDB: ============= START OF LOAD BALANCING ============== 14667.3 LDB: ============== END OF LOAD BALANCING =============== 14667.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14667.3 LDB: ============= START OF LOAD BALANCING ============== 14667.6 LDB: Largest compute 4773 load 0.027130 is 22.9% of average load 0.118262 LDB: Average compute 0.001730 is 1.5% of average load 0.118262 LDB: TIME 14667.6 LOAD: AVG 0.118262 MAX 0.21069 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.75 MB LDB: TIME 14667.6 LOAD: AVG 0.118262 MAX 0.21069 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 211.785 MB LDB: TIME 14667.6 LOAD: AVG 0.118262 MAX 0.21069 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 211.785 MB LDB: ============== END OF LOAD BALANCING =============== 14667.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14667.6 PRESSURE: 4884400 -112.128 24.9793 77.2183 24.9796 76.1906 112.962 77.2193 112.964 343.079 GPRESSURE: 4884400 -17.5776 54.2865 47.8313 11.1285 67.7024 118.599 97.9167 87.5335 357.707 PRESSAVG: 4884400 24.677 -19.1243 -12.4578 -19.1242 -4.25412 10.5367 -12.4578 10.5367 -11.0004 GPRESSAVG: 4884400 24.4595 -21.1167 -13.4036 -18.8142 -4.85678 11.2237 -11.0085 11.0962 -10.2774 TIMING: 4884400 CPU: 14664.3, 0.00301391/step Wall: 14664.3, 0.00301391/step, 0.0967799 hours remaining, 210.257812 MB of memory in use. ENERGY: 4884400 752.0241 2080.2174 1939.4543 111.7830 -206502.0263 17970.7889 0.0000 0.0000 34252.2797 -149395.4788 299.1337 -183647.7585 -149300.5234 298.4401 102.3807 135.9440 556872.4544 3.1408 3.1084 PRESSURE: 4884600 -258.795 -76.7948 53.5061 -76.793 285.227 -58.9179 53.5057 -58.9194 125.905 GPRESSURE: 4884600 -198.042 -41.6852 74.1163 -74.6804 289.826 -32.2332 32.6624 -87.5535 150.504 PRESSAVG: 4884600 -87.8476 -31.0598 -20.7708 -31.0598 73.0998 -14.7508 -20.7708 -14.7509 35.5179 GPRESSAVG: 4884600 -87.592 -29.2044 -20.4701 -30.8525 72.7957 -15.7083 -20.976 -13.7164 35.2903 TIMING: 4884600 CPU: 14664.9, 0.00296167/step Wall: 14664.9, 0.00296167/step, 0.0949379 hours remaining, 210.718750 MB of memory in use. ENERGY: 4884600 768.4331 2116.7891 1944.9642 112.1874 -206336.4885 18011.0693 0.0000 0.0000 34185.8158 -149197.2295 298.5532 -183383.0453 -149105.2193 299.0838 50.7790 80.7625 558036.8554 6.9233 6.8313 PRESSURE: 4884800 260.319 -14.6475 73.8194 -14.6469 29.086 109.053 73.8182 109.051 165.227 GPRESSURE: 4884800 217.077 30.5795 39.8838 -72.1365 106.829 76.116 88.0321 115.782 219.438 PRESSAVG: 4884800 -74.5349 -3.70904 -31.9031 -3.70903 54.3672 10.641 -31.903 10.641 21.5029 GPRESSAVG: 4884800 -75.435 -4.60075 -33.4442 -5.16121 56.1546 10.1158 -30.008 8.73584 20.459 TIMING: 4884800 CPU: 14665.5, 0.00296814/step Wall: 14665.5, 0.00296814/step, 0.0949805 hours remaining, 210.718750 MB of memory in use. ENERGY: 4884800 718.2093 2077.3105 1946.2387 103.2839 -206417.8752 17996.9161 0.0000 0.0000 34290.0332 -149285.8835 299.4634 -183575.9167 -149191.6763 299.7456 151.5438 181.1148 557590.6037 0.4450 0.3929 PRESSURE: 4885000 -41.0741 -56.1873 39.5489 -56.1874 -443.138 -159.755 39.5485 -159.756 119.986 GPRESSURE: 4885000 -15.7868 -86.2132 109.99 -24.7761 -358.878 -168.084 6.31715 -150.734 105.57 PRESSAVG: 4885000 20.5031 -7.30965 -23.2468 -7.30968 -69.8435 26.4508 -23.2468 26.4508 20.6441 GPRESSAVG: 4885000 20.0945 -5.97967 -22.0321 -6.86721 -71.2591 25.6317 -23.9162 28.7957 22.9724 TIMING: 4885000 CPU: 14666.1, 0.0029537/step Wall: 14666.1, 0.0029537/step, 0.0943543 hours remaining, 210.718750 MB of memory in use. ENERGY: 4885000 737.4343 2065.3333 1924.9677 117.6599 -206021.9446 17439.4760 0.0000 0.0000 34331.4498 -149405.6235 299.8251 -183737.0734 -149304.2817 298.7656 -121.4086 -89.6980 556690.5849 -9.5654 -9.3974 PRESSURE: 4885200 -51.7417 -142.675 55.7712 -142.675 -174.748 -39.8232 55.7712 -39.8226 -112.434 GPRESSURE: 4885200 -82.7819 -111.427 -18.0623 -135.817 -75.4993 -59.4568 39.5131 -6.92678 -73.6744 PRESSAVG: 4885200 -5.53602 25.8065 48.3431 25.8064 20.6449 19.7919 48.3432 19.7919 16.229 GPRESSAVG: 4885200 -3.41327 25.5986 47.2735 24.9293 20.8582 21.6778 46.4634 18.1394 14.4928 TIMING: 4885200 CPU: 14666.7, 0.00293934/step Wall: 14666.7, 0.00293934/step, 0.0937324 hours remaining, 210.789062 MB of memory in use. ENERGY: 4885200 751.9997 2103.9045 1953.1329 123.1405 -206241.4358 17704.3352 0.0000 0.0000 34271.2369 -149333.6861 299.2992 -183604.9230 -149235.9809 298.4490 -112.9747 -77.3185 556926.9174 10.4459 10.6459 PRESSURE: 4885400 -123.975 -25.7871 -66.164 -25.7859 -10.7687 208.864 -66.163 208.864 100.605 GPRESSURE: 4885400 -75.7676 -54.0072 -136.121 5.01692 15.8718 232.776 -17.7888 237.479 120.854 PRESSAVG: 4885400 11.0314 49.4991 1.48127 49.4991 -12.1734 1.90848 1.48113 1.90846 -3.97697 GPRESSAVG: 4885400 10.9691 49.1159 2.01698 48.1778 -12.5395 1.68717 2.34291 1.43316 -3.70378 TIMING: 4885400 CPU: 14667.3, 0.00295491/step Wall: 14667.3, 0.00295491/step, 0.0940647 hours remaining, 210.789062 MB of memory in use. ENERGY: 4885400 771.0122 2109.8836 1935.6411 106.0375 -206287.4521 17805.8915 0.0000 0.0000 34188.4179 -149370.5683 298.5760 -183558.9862 -149277.3923 299.7317 -11.3798 20.3195 556607.7224 -1.7063 -1.7581 PRESSURE: 4885600 191.714 19.8725 -5.59463 19.8723 -7.6019 206.538 -5.59554 206.539 -14.365 GPRESSURE: 4885600 158.848 77.0292 93.8206 66.0154 62.4585 157.717 -91.496 152.529 48.9741 PRESSAVG: 4885600 35.9873 24.5034 -48.3104 24.5035 17.4844 -9.02448 -48.3104 -9.02446 4.22723 GPRESSAVG: 4885600 36.0094 24.224 -48.273 27.193 18.6109 -8.27946 -48.5952 -8.8156 3.25403 TIMING: 4885600 CPU: 14667.9, 0.00299176/step Wall: 14667.9, 0.00299176/step, 0.0950714 hours remaining, 210.789062 MB of memory in use. ENERGY: 4885600 751.9451 2068.0767 1938.2848 114.3245 -206297.2355 17860.7399 0.0000 0.0000 34251.5541 -149312.3103 299.1273 -183563.8645 -149221.6033 299.7726 56.5824 90.0935 556558.1327 19.2330 19.2914 PRESSURE: 4885800 -34.572 -21.7417 7.87559 -21.7408 -78.3486 -86.2595 7.87674 -86.2603 168.222 GPRESSURE: 4885800 -44.2138 3.66394 57.846 -78.8884 -59.3131 -82.9419 -113.488 -77.6439 262.803 PRESSAVG: 4885800 2.12116 -12.1369 -51.635 -12.1368 -2.13845 31.763 -51.635 31.763 49.0113 GPRESSAVG: 4885800 2.03938 -11.64 -52.2861 -11.2218 -2.55971 31.5423 -50.5735 32.1927 49.6322 TIMING: 4885800 CPU: 14668.5, 0.0029952/step Wall: 14668.5, 0.0029952/step, 0.0950144 hours remaining, 210.789062 MB of memory in use. ENERGY: 4885800 778.6125 2089.0934 1944.5073 112.7111 -206373.6005 17990.7882 0.0000 0.0000 34106.3839 -149351.5041 297.8595 -183457.8881 -149263.9812 299.6909 18.4337 53.0921 557736.2282 16.3313 16.3706 PRESSURE: 4886000 35.5963 5.69989 32.5915 5.70155 -2.8155 -196.268 32.5914 -196.268 57.2936 GPRESSURE: 4886000 101.906 15.9417 54.3178 28.6623 -7.04252 -134.796 77.5745 -219.744 87.3462 PRESSAVG: 4886000 8.40773 -1.88775 -28.2664 -1.88774 -4.59609 -28.0439 -28.2664 -28.0437 -17.9023 GPRESSAVG: 4886000 7.97064 -2.00833 -27.1159 -3.63938 -4.68481 -26.3114 -29.1876 -28.2101 -17.7021 TIMING: 4886000 CPU: 14669.1, 0.00297283/step Wall: 14669.1, 0.00297283/step, 0.0941398 hours remaining, 210.789062 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: 4886000 781.2387 2077.5617 1938.6819 100.4964 -206233.7163 17854.9789 0.0000 0.0000 34314.8964 -149165.8623 299.6805 -183480.7588 -149067.6268 299.1377 30.0248 60.7366 556093.8933 -4.6969 -4.8054 PRESSURE: 4886200 -62.2975 20.9005 -21.1964 20.8991 134.151 -70.339 -21.198 -70.3377 -56.54 GPRESSURE: 4886200 -3.8877 3.13234 -26.1602 32.1881 101.955 -69.6581 -65.8417 -37.2174 -6.79402 PRESSAVG: 4886200 -29.5047 0.366729 27.2891 0.36668 5.45068 -27.9729 27.289 -27.9729 20.4463 GPRESSAVG: 4886200 -29.3058 1.10029 27.532 0.991631 4.13598 -28.9161 28.0503 -29.1556 21.1965 TIMING: 4886200 CPU: 14669.7, 0.00299246/step Wall: 14669.7, 0.00299246/step, 0.0945951 hours remaining, 210.789062 MB of memory in use. ENERGY: 4886200 761.4852 2129.8901 1937.0667 122.7987 -206196.3205 17781.5464 0.0000 0.0000 34384.0126 -149079.5207 300.2841 -183463.5333 -148985.4090 299.5020 5.1046 30.4244 557597.7691 -1.2026 -1.3244 PRESSURE: 4886400 -112.418 -68.2942 -142.048 -68.2944 -97.5772 -28.5392 -142.048 -28.5382 83.8812 GPRESSURE: 4886400 -56.2239 -204.221 -85.4903 -69.8897 -7.94554 -15.4816 -208.638 -55.9491 34.51 PRESSAVG: 4886400 8.40508 -0.443216 -25.0365 -0.443193 -75.595 -1.90242 -25.0364 -1.90233 98.8941 GPRESSAVG: 4886400 8.16414 -2.7662 -25.2961 0.0196062 -74.3411 -3.97521 -27.3798 1.03218 97.9137 TIMING: 4886400 CPU: 14670.3, 0.00296075/step Wall: 14670.3, 0.00296075/step, 0.093428 hours remaining, 210.789062 MB of memory in use. ENERGY: 4886400 788.1993 2119.3431 1926.5094 106.6742 -206163.1862 17767.7330 0.0000 0.0000 34359.3668 -149095.3605 300.0689 -183454.7273 -148998.5461 299.5987 -42.0380 -9.8865 558776.3494 10.5681 10.5789 PRESSURE: 4886600 -0.456482 -164.382 -70.0886 -164.383 -105.489 95.3574 -70.0879 95.3578 -22.4462 GPRESSURE: 4886600 43.1594 -136.975 -134.595 -77.1197 -44.4373 95.1093 -49.198 116.092 -33.2336 PRESSAVG: 4886600 -12.6835 -52.1467 -13.8669 -52.1467 11.6399 -16.0403 -13.8668 -16.0402 4.74881 GPRESSAVG: 4886600 -11.3734 -51.0122 -15.4074 -52.5972 11.3019 -14.8812 -10.6818 -17.3747 4.17601 TIMING: 4886600 CPU: 14670.9, 0.00294844/step Wall: 14670.9, 0.00294844/step, 0.092876 hours remaining, 210.789062 MB of memory in use. ENERGY: 4886600 761.5927 2122.3375 1937.6396 112.8351 -206115.7336 17765.8758 0.0000 0.0000 34304.9583 -149110.4946 299.5937 -183415.4529 -149014.5550 300.6839 -42.7973 -11.5038 557995.9642 1.2351 1.3682 PRESSURE: 4886800 -174.253 46.9335 7.62715 46.9334 -89.7822 131.474 7.62582 131.474 -63.206 GPRESSURE: 4886800 -151.888 28.0872 -6.27265 13.8455 -38.8989 47.2615 -111.044 194.159 -44.0408 PRESSAVG: 4886800 12.7074 7.07379 10.2606 7.07376 -10.2494 56.2455 10.2606 56.2454 -19.3733 GPRESSAVG: 4886800 12.319 8.74796 10.4419 6.87071 -10.9138 55.9618 8.08853 57.3425 -18.2598 TIMING: 4886800 CPU: 14671.5, 0.00297034/step Wall: 14671.5, 0.00297034/step, 0.0934008 hours remaining, 210.789062 MB of memory in use. ENERGY: 4886800 750.1012 2095.1692 1920.4496 110.4021 -205797.8655 17649.0475 0.0000 0.0000 34281.2949 -148991.4010 299.3871 -183272.6959 -148898.0106 299.6354 -109.0804 -78.2759 559541.9371 -5.6384 -5.6182 PRESSURE: 4887000 -74.1535 99.9715 128.051 99.9711 -243.231 51.4142 128.05 51.4153 -296.448 GPRESSURE: 4887000 35.2082 27.3528 153.088 122.912 -290.367 84.3736 93.141 -12.052 -256.498 PRESSAVG: 4887000 21.137 -9.65903 61.6643 -9.65898 5.74383 0.558071 61.6642 0.55819 -43.9738 GPRESSAVG: 4887000 20.4495 -9.85067 62.9026 -8.95312 6.6089 0.556955 60.097 0.121388 -43.1248 TIMING: 4887000 CPU: 14672.1, 0.00296349/step Wall: 14672.1, 0.00296349/step, 0.0930207 hours remaining, 210.789062 MB of memory in use. ENERGY: 4887000 757.8946 2138.0526 1922.9618 106.1674 -205748.9294 17379.0258 0.0000 0.0000 34366.6333 -149078.1939 300.1324 -183444.8272 -148989.0365 298.9922 -204.6107 -170.5522 558357.2290 -5.6977 -5.3555 PRESSURE: 4887200 -288.798 6.31197 -114.305 6.31322 -220.236 243.959 -114.303 243.959 -138.198 GPRESSURE: 4887200 -226.444 22.5992 -62.458 11.2118 -205.27 265.798 -65.162 247.656 -133.459 PRESSAVG: 4887200 6.80209 -15.25 -20.4862 -15.2499 -8.46563 4.42374 -20.4861 4.4237 -16.6264 GPRESSAVG: 4887200 7.80308 -15.1247 -20.0076 -15.8185 -9.06086 4.65085 -19.3567 5.23938 -17.4561 TIMING: 4887200 CPU: 14672.7, 0.00298319/step Wall: 14672.7, 0.0029832/step, 0.0934734 hours remaining, 210.789062 MB of memory in use. ENERGY: 4887200 752.9426 2122.9850 1925.5447 117.9119 -205682.2639 17349.8447 0.0000 0.0000 34429.9411 -148983.0938 300.6852 -183413.0349 -148885.9973 299.4864 -215.7440 -188.3912 558681.8752 -6.0966 -6.2380 PRESSURE: 4887400 142.262 3.99617 185.647 3.99662 -173.452 81.8527 185.647 81.8529 71.364 GPRESSURE: 4887400 148.394 79.5483 188.792 -39.3948 -81.1718 84.8181 108.798 177.634 81.1328 PRESSAVG: 4887400 24.6629 7.02215 -12.8403 7.02216 0.552157 1.31784 -12.8403 1.31786 4.57057 GPRESSAVG: 4887400 23.4204 7.38297 -13.572 7.75634 0.458643 -0.187816 -11.8157 1.23139 6.509 TIMING: 4887400 CPU: 14673.3, 0.00297886/step Wall: 14673.3, 0.00297886/step, 0.093172 hours remaining, 210.789062 MB of memory in use. ENERGY: 4887400 761.4739 2045.8592 1946.5921 115.3103 -205985.3947 17839.9167 0.0000 0.0000 34363.1301 -148913.1125 300.1018 -183276.2426 -148811.0674 300.0243 13.3914 49.4515 558625.6534 9.9285 10.1294 PRESSURE: 4887600 -303.386 -133.288 234.534 -133.288 -376.851 -75.2897 234.535 -75.2885 -217.334 GPRESSURE: 4887600 -208.2 -147.43 212.867 -140.116 -378.747 -69.1805 238.142 -45.4154 -215.714 PRESSAVG: 4887600 -81.9714 -87.357 -2.56401 -87.357 32.0212 -37.3437 -2.56397 -37.3436 53.9811 GPRESSAVG: 4887600 -81.2743 -86.8568 -4.22696 -87.7627 32.7541 -36.1474 -1.31379 -37.8753 53.0624 TIMING: 4887600 CPU: 14673.8, 0.00295535/step Wall: 14673.8, 0.00295535/step, 0.0922725 hours remaining, 210.789062 MB of memory in use. ENERGY: 4887600 740.9936 2105.7076 1938.4811 122.9467 -205835.9378 17442.2893 0.0000 0.0000 34403.8424 -149081.6772 300.4573 -183485.5196 -148989.6959 300.2437 -299.1904 -267.5534 559882.8040 1.3436 1.5141 PRESSURE: 4887800 -122.174 -18.636 56.3758 -18.6374 196.595 11.0757 56.375 11.0763 -122.221 GPRESSURE: 4887800 -80.8769 -52.3513 -18.4701 16.5943 237.274 -68.002 42.111 46.0983 -102.184 PRESSAVG: 4887800 -13.2547 1.59092 36.6346 1.59097 36.1295 -39.8525 36.6346 -39.8525 -17.6913 GPRESSAVG: 4887800 -12.92 1.86012 37.3587 2.13871 36.8222 -38.9371 34.313 -40.3144 -19.112 TIMING: 4887800 CPU: 14674.4, 0.00296354/step Wall: 14674.4, 0.00296354/step, 0.0923636 hours remaining, 210.789062 MB of memory in use. ENERGY: 4887800 745.6446 2060.5065 1920.9640 117.9193 -205587.9698 17653.9677 0.0000 0.0000 34069.5500 -149019.4178 297.5379 -183088.9678 -148921.8274 299.2127 -15.9335 18.0710 557974.5093 1.7279 1.5967 PRESSURE: 4888000 34.6025 -17.2833 196.76 -17.2836 193.147 -138.026 196.76 -138.025 -188.393 GPRESSURE: 4888000 100.851 -52.7576 174.313 66.0476 229.408 -108.542 274.239 -116.377 -192.19 PRESSAVG: 4888000 10.6699 -34.6047 46.7718 -34.6047 8.55521 -36.0531 46.7718 -36.053 12.2059 GPRESSAVG: 4888000 11.0492 -35.682 47.147 -34.3265 8.37361 -36.1856 48.4332 -35.3025 11.6857 TIMING: 4888000 CPU: 14675, 0.0029646/step Wall: 14675, 0.0029646/step, 0.0922321 hours remaining, 210.789062 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: 4888000 702.0653 2171.3003 1926.1207 113.7526 -206475.2371 17958.8713 0.0000 0.0000 34440.1972 -149162.9297 300.7748 -183603.1269 -149074.4500 299.1213 13.1190 46.0231 559220.4558 10.4770 10.3695 PRESSURE: 4888200 331.543 -166.491 92.4557 -166.489 -20.5879 -59.3397 92.4561 -59.3392 183.011 GPRESSURE: 4888200 324.813 -206.554 95.5131 -101.736 -5.49815 -31.4492 62.1785 -155.735 261.889 PRESSAVG: 4888200 -16.3535 -25.1078 60.9781 -25.1078 10.2731 -39.6512 60.9781 -39.6512 42.7839 GPRESSAVG: 4888200 -17.1672 -24.4586 62.1545 -26.6397 9.73239 -38.2448 58.8604 -41.8918 43.543 TIMING: 4888200 CPU: 14675.6, 0.00299288/step Wall: 14675.6, 0.00299288/step, 0.0929455 hours remaining, 210.789062 MB of memory in use. ENERGY: 4888200 736.8220 2147.7274 1948.0329 105.0657 -206496.7172 18045.2092 0.0000 0.0000 34356.3736 -149157.4866 300.0428 -183513.8601 -149064.1201 299.8253 164.6554 193.7346 557813.3162 12.2345 12.0361 LDB: ============= START OF LOAD BALANCING ============== 14679.1 LDB: ============== END OF LOAD BALANCING =============== 14679.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14679.1 LDB: ============= START OF LOAD BALANCING ============== 14679.4 LDB: Largest compute 4773 load 0.026096 is 22.1% of average load 0.118249 LDB: Average compute 0.001722 is 1.5% of average load 0.118249 LDB: TIME 14679.4 LOAD: AVG 0.118249 MAX 0.212022 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.52 MB LDB: TIME 14679.5 LOAD: AVG 0.118249 MAX 0.212022 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.578 MB LDB: TIME 14679.5 LOAD: AVG 0.118249 MAX 0.212022 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.578 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14679.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14679.5 PRESSURE: 4888400 357.568 34.2628 -51.3935 34.263 -96.7985 -57.5292 -51.3944 -57.5288 81.0721 GPRESSURE: 4888400 398.436 26.595 13.2399 -48.2593 -42.5609 -111.633 -44.8563 -18.7721 89.9627 PRESSAVG: 4888400 15.4196 28.4594 97.6002 28.4593 10.5333 30.3169 97.6002 30.3167 -12.0284 GPRESSAVG: 4888400 15.8944 26.6125 97.7629 29.4317 9.94398 28.4756 97.6681 32.5768 -12.0665 TIMING: 4888400 CPU: 14676.2, 0.00304805/step Wall: 14676.2, 0.00304805/step, 0.0944895 hours remaining, 209.800781 MB of memory in use. ENERGY: 4888400 733.5544 2103.0446 1925.1705 101.4407 -206460.0316 17996.3788 0.0000 0.0000 34305.9121 -149294.5306 299.6021 -183600.4427 -149195.0384 299.4962 113.9474 148.6126 557942.9686 4.6415 4.5906 PRESSURE: 4888600 -256.069 30.3293 -132.353 30.3304 -245.077 158.258 -132.352 158.258 34.4332 GPRESSURE: 4888600 -228.605 10.1772 -163.053 66.9293 -177.639 195.898 -5.95402 120.239 49.7714 PRESSAVG: 4888600 7.87844 17.5517 57.094 17.5517 -56.9684 -2.73849 57.0939 -2.73847 42.4678 GPRESSAVG: 4888600 8.19865 18.4204 55.7457 16.3808 -56.88 -1.45721 58.5941 -3.04405 41.7753 TIMING: 4888600 CPU: 14676.8, 0.00297816/step Wall: 14676.8, 0.00297816/step, 0.0921574 hours remaining, 209.871094 MB of memory in use. ENERGY: 4888600 781.5785 2085.1986 1930.5995 119.2267 -205879.8996 17584.0345 0.0000 0.0000 34043.7956 -149335.4661 297.3129 -183379.2618 -149240.2458 299.0009 -155.5707 -118.8242 558675.7077 -2.2074 -2.3020 PRESSURE: 4888800 -158.064 -224.123 -128.953 -224.122 -78.8774 -183.131 -128.951 -183.131 -376.021 GPRESSURE: 4888800 -127.732 -234.863 -117.609 -257.035 -69.1275 -172.562 -125.26 -180.168 -311.511 PRESSAVG: 4888800 68.808 9.18737 12.966 9.1874 -19.54 17.7389 12.966 17.7389 -32.6529 GPRESSAVG: 4888800 68.3779 9.90919 14.141 9.44449 -19.8768 15.5816 10.9848 17.5002 -31.3518 TIMING: 4888800 CPU: 14677.4, 0.00294242/step Wall: 14677.4, 0.00294242/step, 0.090888 hours remaining, 209.871094 MB of memory in use. ENERGY: 4888800 802.7160 2054.1514 1930.0716 124.6876 -206488.1066 17683.0179 0.0000 0.0000 34359.1309 -149534.3311 300.0668 -183893.4621 -149438.9577 298.9803 -204.3210 -169.4569 557649.1123 5.5384 5.7164 PRESSURE: 4889000 -125.237 -113.109 -113.713 -113.109 -319.964 -83.0387 -113.713 -83.0379 49.9182 GPRESSURE: 4889000 -113.756 -102.603 -173.603 -70.4502 -226.108 -146.546 -140.928 -53.987 42.2651 PRESSAVG: 4889000 89.2523 -15.8083 -23.6325 -15.8083 -51.3955 -58.3364 -23.6324 -58.3364 -39.5088 GPRESSAVG: 4889000 88.4615 -16.0377 -25.8877 -14.9322 -51.1077 -54.7325 -21.3894 -59.3231 -39.7689 TIMING: 4889000 CPU: 14678, 0.00297549/step Wall: 14678, 0.00297549/step, 0.0917444 hours remaining, 210.074219 MB of memory in use. ENERGY: 4889000 764.3942 2102.2129 1937.0046 108.1137 -206336.5336 17718.2227 0.0000 0.0000 34113.6036 -149592.9818 297.9226 -183706.5855 -149500.9855 299.3427 -131.7610 -99.1999 558275.0601 -0.5507 -0.8050 PRESSURE: 4889200 67.3498 85.4164 113.932 85.4159 -33.0079 -51.2928 113.932 -51.2935 -141.588 GPRESSURE: 4889200 57.3655 69.4675 77.6938 85.2628 7.34832 -13.173 76.5816 -60.7111 -75.2166 PRESSAVG: 4889200 15.1598 11.3807 66.235 11.3807 27.5396 -20.7835 66.235 -20.7835 -75.8016 GPRESSAVG: 4889200 15.8938 12.5209 66.721 12.2307 26.8369 -21.6198 66.6456 -20.3612 -75.4556 TIMING: 4889200 CPU: 14678.6, 0.00298283/step Wall: 14678.6, 0.00298283/step, 0.0918049 hours remaining, 210.074219 MB of memory in use. ENERGY: 4889200 711.0906 2041.5191 1936.9281 114.0430 -206573.2000 17935.8331 0.0000 0.0000 34341.6634 -149492.1226 299.9143 -183833.7861 -149385.6065 298.8849 -35.7487 -3.5010 558068.5901 -11.0341 -10.9083 PRESSURE: 4889400 227.233 -56.0392 -21.4243 -56.0386 408.448 -73.0382 -21.4251 -73.0366 187.635 GPRESSURE: 4889400 255.345 -15.906 -55.0813 -112.59 419.978 -171.197 -28.5154 -40.6734 248.212 PRESSAVG: 4889400 -43.6572 4.72061 35.9037 4.72051 43.5999 20.2042 35.9037 20.2042 -0.572114 GPRESSAVG: 4889400 -43.4676 3.75816 36.6891 3.09645 43.8904 16.9697 34.7188 21.4037 -1.24861 TIMING: 4889400 CPU: 14679.2, 0.00296536/step Wall: 14679.2, 0.00296536/step, 0.0911026 hours remaining, 210.074219 MB of memory in use. ENERGY: 4889400 705.3692 2034.1400 1972.3509 107.8899 -206842.7796 18264.7986 0.0000 0.0000 34185.1866 -149573.0443 298.5477 -183758.2309 -149475.8247 298.4203 274.4384 307.8452 557176.1687 -0.2098 -0.2752 PRESSURE: 4889600 357.615 -23.5254 -132.363 -23.5252 289.66 -45.1317 -132.362 -45.1322 4.48407 GPRESSURE: 4889600 382.919 -71.4744 -163.647 13.7581 325.735 -2.14308 -72.0824 -113.768 44.0336 PRESSAVG: 4889600 -37.0282 -39.1152 -1.15676 -39.1152 57.984 33.3761 -1.15676 33.3761 -14.5381 GPRESSAVG: 4889600 -36.6827 -38.84 -2.69216 -36.9698 58.173 35.7675 0.533904 31.5747 -15.4512 TIMING: 4889600 CPU: 14679.8, 0.00295534/step Wall: 14679.8, 0.00295534/step, 0.0906306 hours remaining, 210.074219 MB of memory in use. ENERGY: 4889600 749.8308 2079.5683 1933.5300 105.8297 -206875.1429 18211.2837 0.0000 0.0000 34195.3795 -149599.7209 298.6368 -183795.1003 -149511.8422 298.7466 217.2533 250.8958 556285.8738 2.1393 2.0130 PRESSURE: 4889800 -121.053 -83.0587 -43.4136 -83.059 -75.9191 -32.8473 -43.4143 -32.8468 547.147 GPRESSURE: 4889800 -104.75 -40.5194 -20.8315 -118.607 33.1559 -6.8287 -52.9561 69.0902 506.177 PRESSAVG: 4889800 45.5577 -54.2563 -6.72515 -54.2564 -32.5576 -4.97761 -6.72508 -4.9776 6.41752 GPRESSAVG: 4889800 45.541 -54.0628 -5.82353 -56.3116 -32.6985 -6.95214 -7.4233 -3.39904 6.85931 TIMING: 4889800 CPU: 14680.4, 0.00297276/step Wall: 14680.4, 0.00297276/step, 0.0909996 hours remaining, 210.074219 MB of memory in use. ENERGY: 4889800 731.8016 2086.8088 1961.2755 114.8743 -206571.2406 17908.9099 0.0000 0.0000 34231.6020 -149535.9686 298.9531 -183767.5706 -149439.2556 298.6690 116.7250 144.8607 556659.8700 6.4725 6.5673 PRESSURE: 4890000 76.5202 107.394 285.197 107.395 239.191 -25.0638 285.198 -25.0639 -169.948 GPRESSURE: 4890000 119.336 154.27 260.627 39.2665 218.842 -59.0686 311.811 -29.0183 -98.7238 PRESSAVG: 4890000 -67.0778 11.9827 -31.9808 11.9827 17.5306 -23.1268 -31.9807 -23.1268 54.1889 GPRESSAVG: 4890000 -66.9109 10.7557 -31.6422 13.7114 16.0317 -23.5353 -31.6244 -22.7185 55.7482 TIMING: 4890000 CPU: 14681, 0.00294993/step Wall: 14681, 0.00294993/step, 0.0901369 hours remaining, 210.074219 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: 4890000 745.0925 2089.0089 1946.6727 107.0822 -206668.3615 17989.8316 0.0000 0.0000 34331.4932 -149459.1804 299.8255 -183790.6735 -149357.4940 298.6625 48.5876 79.8180 555596.2653 1.5472 1.6230 PRESSURE: 4890200 189.021 178.16 -31.6109 178.16 312.875 43.9984 -31.6106 43.9989 -8.22424 GPRESSURE: 4890200 167.997 143.277 -42.1609 223.525 359.787 138.305 -8.67646 -6.3783 63.2006 PRESSAVG: 4890200 -31.9118 -5.17414 6.949 -5.17413 19.9216 -36.3013 6.94911 -36.3013 5.54321 GPRESSAVG: 4890200 -32.7121 -2.41093 5.20697 -7.43484 21.1774 -34.7028 4.45417 -38.5025 4.77758 TIMING: 4890200 CPU: 14681.6, 0.00293501/step Wall: 14681.6, 0.00293501/step, 0.0895179 hours remaining, 210.074219 MB of memory in use. ENERGY: 4890200 770.0996 2058.4471 1931.7745 112.3545 -206839.7049 18143.2262 0.0000 0.0000 34135.9115 -149687.8915 298.1174 -183823.8030 -149595.3850 298.5292 164.5574 196.9948 555579.0794 -2.1490 -2.2524 PRESSURE: 4890400 -209.004 -30.3116 62.8404 -30.3119 -115.658 29.9886 62.8399 29.9882 17.632 GPRESSURE: 4890400 -120.353 37.3559 -45.7858 -10.4743 -89.9744 86.6641 11.0884 -13.0003 -10.7754 PRESSAVG: 4890400 55.1683 -10.266 5.00349 -10.266 -29.2106 31.1696 5.00351 31.1697 -21.8116 GPRESSAVG: 4890400 56.3505 -13.3433 3.70044 -8.40037 -29.2485 30.4083 7.53551 31.5296 -22.7743 TIMING: 4890400 CPU: 14682.2, 0.00292315/step Wall: 14682.2, 0.00292315/step, 0.0889936 hours remaining, 210.074219 MB of memory in use. ENERGY: 4890400 801.8467 2077.8162 1947.2077 107.3201 -206430.6204 17906.6448 0.0000 0.0000 33859.9640 -149729.8208 295.7075 -183589.7848 -149631.1365 297.6906 -102.3432 -73.7008 557493.9028 1.3820 1.4426 PRESSURE: 4890600 -346.989 -204.74 -107.879 -204.741 -496.887 127.354 -107.878 127.354 -136.28 GPRESSURE: 4890600 -305.785 -216.106 -130.707 -155.524 -486.935 13.9537 -145.894 145.803 -92.0957 PRESSAVG: 4890600 -66.0523 -52.9406 -19.8078 -52.9407 29.3892 -20.8506 -19.8078 -20.8506 31.178 GPRESSAVG: 4890600 -66.3254 -52.1134 -15.6816 -53.5432 28.2896 -20.1103 -22.7561 -20.6105 32.3275 TIMING: 4890600 CPU: 14682.7, 0.0029461/step Wall: 14682.7, 0.0029461/step, 0.0895286 hours remaining, 210.074219 MB of memory in use. ENERGY: 4890600 770.7529 2104.1872 1917.4669 108.2847 -205789.9508 17263.7888 0.0000 0.0000 33981.4163 -149644.0541 296.7682 -183625.4703 -149551.6327 298.1648 -326.7190 -294.9387 556664.6285 -1.8284 -1.9028 PRESSURE: 4890800 -117.042 -111.17 -142.573 -111.17 -162.694 22.0659 -142.573 22.0669 -303.204 GPRESSURE: 4890800 -72.2729 -88.3162 -75.0257 -80.4489 -88.764 124.38 -136.089 8.8223 -326.184 PRESSAVG: 4890800 19.4032 21.3384 -47.5128 21.3384 -34.0702 -13.6401 -47.5128 -13.6401 23.1262 GPRESSAVG: 4890800 19.1416 21.0644 -47.5894 25.5975 -33.7379 -14.2201 -45.1439 -15.5062 23.4665 TIMING: 4890800 CPU: 14683.3, 0.00294533/step Wall: 14683.3, 0.00294533/step, 0.0893417 hours remaining, 210.074219 MB of memory in use. ENERGY: 4890800 777.3393 2105.8511 1938.8888 136.8186 -206159.5858 17645.4597 0.0000 0.0000 34029.7694 -149525.4588 297.1904 -183555.2282 -149422.5390 298.2411 -194.3134 -162.4069 557187.1312 2.8198 2.9567 PRESSURE: 4891000 -348.812 40.0863 28.8214 40.0862 -55.714 -26.6403 28.8219 -26.6394 5.98931 GPRESSURE: 4891000 -331.574 -59.6541 76.5069 76.5783 7.93488 -79.1504 -3.73745 47.9443 8.36885 PRESSAVG: 4891000 -36.5418 -36.0866 18.7514 -36.0866 9.91011 4.56551 18.7513 4.5655 20.1645 GPRESSAVG: 4891000 -36.8714 -36.2571 18.4077 -39.0656 10.5021 3.55411 16.7362 5.93017 20.1276 TIMING: 4891000 CPU: 14683.9, 0.00296938/step Wall: 14683.9, 0.00296938/step, 0.0899062 hours remaining, 210.074219 MB of memory in use. ENERGY: 4891000 791.4334 2121.1788 1929.7134 103.2692 -206187.7755 17721.0530 0.0000 0.0000 34134.4684 -149386.6593 298.1048 -183521.1277 -149287.4612 298.6357 -132.8456 -105.0901 556848.4974 -2.1558 -2.0806 PRESSURE: 4891200 295.857 85.989 121.003 85.9897 -97.4232 65.8425 121.001 65.8406 -61.732 GPRESSURE: 4891200 403.224 70.6483 147.038 64.159 -131.404 97.6999 14.2366 32.1027 -35.4031 PRESSAVG: 4891200 -58.7466 -40.293 -53.7058 -40.293 28.6467 -12.602 -53.7058 -12.602 10.9324 GPRESSAVG: 4891200 -58.1382 -39.2131 -53.0751 -39.7583 28.6233 -12.3818 -52.669 -10.7608 10.0977 TIMING: 4891200 CPU: 14684.5, 0.00295549/step Wall: 14684.5, 0.00295549/step, 0.0893215 hours remaining, 210.074219 MB of memory in use. ENERGY: 4891200 748.3212 2096.6563 1916.4146 118.1279 -206484.6412 17796.5961 0.0000 0.0000 34471.7391 -149336.7861 301.0503 -183808.5251 -149237.1500 299.3425 45.5673 78.8056 555536.9406 -6.3892 -6.4724 PRESSURE: 4891400 120.58 120.925 -235.553 120.925 219.316 -43.1459 -235.554 -43.1452 138.183 GPRESSURE: 4891400 129.656 93.6634 -191.185 114.924 257.948 40.3544 -142.38 -37.5324 194.741 PRESSAVG: 4891400 44.1612 15.2483 10.5345 15.2483 56.788 -10.6882 10.5345 -10.6883 -46.4891 GPRESSAVG: 4891400 44.7697 16.5095 8.24944 15.3917 56.3933 -8.89766 10.8126 -12.4273 -46.7622 TIMING: 4891400 CPU: 14685.1, 0.002955/step Wall: 14685.1, 0.002955/step, 0.0891425 hours remaining, 210.074219 MB of memory in use. ENERGY: 4891400 736.0791 2113.7649 1938.5264 118.3754 -206282.9005 17968.5598 0.0000 0.0000 34177.7525 -149229.8425 298.4828 -183407.5950 -149131.8981 299.8005 159.3597 194.1148 556361.8828 18.1534 18.1336 PRESSURE: 4891600 -22.795 -45.9992 -180.005 -46.0003 72.9685 -109.212 -180.005 -109.212 -110.262 GPRESSURE: 4891600 7.31971 -161.654 -114.253 29.0628 108.691 -207.778 -239.6 -96.008 -86.2619 PRESSAVG: 4891600 20.6171 -19.39 -18.2089 -19.3901 34.9899 -54.9163 -18.2089 -54.9164 -55.7963 GPRESSAVG: 4891600 19.6086 -21.5679 -17.555 -20.1942 35.9091 -59.4037 -17.3684 -54.1031 -55.7559 TIMING: 4891600 CPU: 14685.7, 0.00295584/step Wall: 14685.7, 0.00295584/step, 0.0890036 hours remaining, 210.074219 MB of memory in use. ENERGY: 4891600 769.3412 2092.5772 1954.4154 125.7064 -206420.1675 17938.4855 0.0000 0.0000 34306.0301 -149233.6118 299.6031 -183539.6419 -149129.4704 299.7735 -20.0296 9.9162 557755.5809 -0.0631 -0.0794 PRESSURE: 4891800 -140.777 -79.5736 -51.6853 -79.5743 88.0667 -44.038 -51.6845 -44.0374 -34.1376 GPRESSURE: 4891800 -134.066 -100.875 -8.89706 -40.2184 138.291 -173.692 -18.9447 129.448 -5.07986 PRESSAVG: 4891800 68.3167 -18.6637 0.172911 -18.6637 22.8305 14.283 0.173073 14.283 -66.5355 GPRESSAVG: 4891800 68.2441 -18.9915 0.757826 -17.4501 22.0891 16.67 -1.42907 15.6064 -65.7388 TIMING: 4891800 CPU: 14686.3, 0.00295007/step Wall: 14686.3, 0.00295007/step, 0.0886659 hours remaining, 210.074219 MB of memory in use. ENERGY: 4891800 765.7703 2100.9738 1906.5434 115.1382 -206217.1170 17859.4183 0.0000 0.0000 34301.0320 -149168.2410 299.5594 -183469.2730 -149069.6248 299.5388 -28.9494 -0.2852 557822.4815 8.2039 8.1981 PRESSURE: 4892000 116.499 90.45 -133.702 90.4504 101.62 11.5587 -133.702 11.5601 70.855 GPRESSURE: 4892000 142.221 0.440633 -110.073 104.429 136.163 14.5761 -69.8329 -21.9875 94.6181 PRESSAVG: 4892000 -17.8898 -22.2504 -5.71675 -22.2504 10.2457 69.0234 -5.71669 69.0234 -7.98312 GPRESSAVG: 4892000 -17.3606 -22.6796 -7.39095 -22.3025 9.98918 68.237 -3.61425 67.5964 -8.9523 TIMING: 4892000 CPU: 14686.9, 0.00295925/step Wall: 14686.9, 0.00295925/step, 0.0887775 hours remaining, 210.074219 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: 4892000 729.0791 2088.0628 1934.1136 117.3201 -206515.4346 18040.8709 0.0000 0.0000 34307.0528 -149298.9352 299.6120 -183605.9880 -149207.9140 298.6590 96.3248 124.3341 557567.0889 -5.2091 -5.4412 PRESSURE: 4892200 156.422 -59.8721 -53.5349 -59.8718 -25.3336 -86.3402 -53.5356 -86.3395 -29.8804 GPRESSURE: 4892200 225.041 -26.1714 -109.565 -133.193 -8.67454 -84.6189 98.1979 -43.6318 -19.715 PRESSAVG: 4892200 -17.4422 -63.4235 -6.96815 -63.4235 48.4554 17.0782 -6.96831 17.0782 -43.8781 GPRESSAVG: 4892200 -17.8398 -62.5109 -4.66298 -62.1045 49.6188 17.4251 -7.71123 17.4506 -44.9921 TIMING: 4892200 CPU: 14687.5, 0.00295403/step Wall: 14687.5, 0.00295403/step, 0.0884568 hours remaining, 210.074219 MB of memory in use. ENERGY: 4892200 739.1846 2084.1266 1947.0520 130.9389 -206528.2800 17981.7732 0.0000 0.0000 34383.9541 -149261.2506 300.2836 -183645.2047 -149163.3171 298.9434 33.7359 65.5504 558224.7727 -4.2883 -4.4043 LDB: ============= START OF LOAD BALANCING ============== 14691 LDB: ============== END OF LOAD BALANCING =============== 14691 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14691 LDB: ============= START OF LOAD BALANCING ============== 14691.3 LDB: Largest compute 4773 load 0.025990 is 22.0% of average load 0.118270 LDB: Average compute 0.001719 is 1.5% of average load 0.118270 LDB: TIME 14691.3 LOAD: AVG 0.11827 MAX 0.216096 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.832 MB LDB: TIME 14691.3 LOAD: AVG 0.11827 MAX 0.216096 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.832 MB LDB: TIME 14691.3 LOAD: AVG 0.11827 MAX 0.216096 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.832 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14691.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14691.3 PRESSURE: 4892400 8.14499 -39.6636 -6.16746 -39.6623 45.2575 -69.2904 -6.16635 -69.2905 -122.617 GPRESSURE: 4892400 -5.78867 -79.933 13.6909 52.3441 105.873 -37.0786 18.868 -117.718 -70.8182 PRESSAVG: 4892400 49.3689 8.80474 12.2899 8.80464 -7.49539 37.2495 12.2899 37.2495 -44.4617 GPRESSAVG: 4892400 48.3396 9.51641 12.5505 7.03658 -8.32889 40.0103 10.6796 35.2407 -43.0105 TIMING: 4892400 CPU: 14688.1, 0.00304307/step Wall: 14688.1, 0.00304307/step, 0.090954 hours remaining, 208.464844 MB of memory in use. ENERGY: 4892400 711.0299 2046.4363 1945.0128 119.4834 -206179.9920 17913.7895 0.0000 0.0000 34228.0176 -149216.2225 298.9218 -183444.2401 -149118.3958 299.1508 -23.0714 9.7553 558210.7475 -0.8627 -0.9999 PRESSURE: 4892600 3.14625 -144.443 112.277 -144.443 -11.7083 -50.3899 112.278 -50.3901 -295.536 GPRESSURE: 4892600 62.78 -235.19 -20.4857 -97.151 24.0807 -77.6801 81.763 66.693 -285.938 PRESSAVG: 4892600 -20.2522 -18.752 -51.0192 -18.7518 19.5743 -23.2898 -51.0192 -23.2898 24.3991 GPRESSAVG: 4892600 -18.9696 -20.6382 -54.0185 -16.9162 18.0731 -23.7886 -48.7358 -20.95 24.9084 TIMING: 4892600 CPU: 14688.7, 0.00299491/step Wall: 14688.7, 0.00299491/step, 0.0893482 hours remaining, 208.464844 MB of memory in use. ENERGY: 4892600 732.8844 2055.9848 1928.1490 106.9459 -205811.2636 17552.6960 0.0000 0.0000 34068.1869 -149366.4166 297.5259 -183434.6036 -149269.9791 298.3388 -101.3661 -66.3593 557811.8088 7.9071 8.0040 PRESSURE: 4892800 248.257 -2.23079 12.3501 -2.23219 51.3384 -23.7038 12.3501 -23.7036 138.626 GPRESSURE: 4892800 191.831 -78.9916 1.68114 44.9372 170.498 -95.8287 -16.1774 126.235 180.088 PRESSAVG: 4892800 28.6301 21.3895 -5.50709 21.3896 -3.67978 31.4684 -5.50703 31.4682 -10.8321 GPRESSAVG: 4892800 26.9793 25.014 -3.17287 18.3812 -1.92074 29.3545 -7.75736 28.9904 -11.2124 TIMING: 4892800 CPU: 14689.3, 0.00297567/step Wall: 14689.3, 0.00297567/step, 0.088609 hours remaining, 208.464844 MB of memory in use. ENERGY: 4892800 730.4665 2075.5414 1936.4600 115.7247 -206348.7457 17846.0054 0.0000 0.0000 34235.9788 -149408.5689 298.9913 -183644.5476 -149315.2403 298.3899 146.0741 180.8056 556677.8756 4.7060 4.6154 PRESSURE: 4893000 13.5554 109.91 40.8588 109.91 37.682 121.595 40.8585 121.595 101.855 GPRESSURE: 4893000 -15.7639 90.0417 99.582 133.84 111.32 92.9649 13.7901 133.797 149.662 PRESSAVG: 4893000 36.6399 12.3364 21.8784 12.3364 54.078 77.2365 21.8785 77.2365 -48.9962 GPRESSAVG: 4893000 37.7383 10.2061 21.7237 14.9671 53.0234 78.7114 22.4751 76.7011 -49.1255 TIMING: 4893000 CPU: 14689.9, 0.00295924/step Wall: 14689.9, 0.00295924/step, 0.0879551 hours remaining, 208.464844 MB of memory in use. ENERGY: 4893000 753.1161 2074.9131 1948.9058 124.5627 -206468.6527 17957.2820 0.0000 0.0000 34123.8627 -149486.0102 298.0122 -183609.8729 -149388.9811 298.8179 51.0306 81.7394 557206.4758 13.9072 13.8787 PRESSURE: 4893200 161.338 96.6783 184.581 96.6782 -0.953467 85.5545 184.579 85.5538 85.5586 GPRESSURE: 4893200 226.138 12.4703 169.311 198.307 58.1269 117.102 146.791 -5.26558 55.7322 PRESSAVG: 4893200 16.752 23.4468 68.022 23.4469 21.7014 -32.9701 68.0219 -32.9701 -72.2442 GPRESSAVG: 4893200 17.5299 23.3427 69.5258 21.6339 21.2753 -32.9418 65.8822 -32.088 -72.8961 TIMING: 4893200 CPU: 14690.5, 0.00297668/step Wall: 14690.5, 0.00297668/step, 0.0883081 hours remaining, 208.464844 MB of memory in use. ENERGY: 4893200 745.1227 2137.1442 1942.1325 111.7678 -206599.2194 17922.1490 0.0000 0.0000 34268.6498 -149472.2533 299.2766 -183740.9032 -149371.2424 299.1041 81.9810 113.3325 557193.4693 -11.2636 -11.3636 PRESSURE: 4893400 -59.5633 26.8029 131.489 26.8029 112.43 25.8988 131.489 25.8989 212.13 GPRESSURE: 4893400 -42.0728 -34.2166 87.0377 76.8277 155.182 -26.4251 116.231 22.1468 248.686 PRESSAVG: 4893400 -12.1848 -11.5881 74.1168 -11.588 -28.0952 65.1311 74.1169 65.1311 41.6912 GPRESSAVG: 4893400 -14.1674 -9.64604 73.0913 -12.9643 -27.9359 63.6054 76.3397 67.0077 43.5458 TIMING: 4893400 CPU: 14691.1, 0.00295495/step Wall: 14691.1, 0.00295495/step, 0.0874993 hours remaining, 208.464844 MB of memory in use. ENERGY: 4893400 742.1504 2074.7925 1938.3109 107.9749 -206200.6451 17905.1857 0.0000 0.0000 34229.7997 -149202.4310 298.9374 -183432.2307 -149107.6992 299.5269 88.3322 120.5984 558939.2279 0.4704 0.4808 PRESSURE: 4893600 -147.672 1.29478 17.642 1.29528 110.573 -71.2478 17.642 -71.246 -30.9596 GPRESSURE: 4893600 -99.3892 -2.19752 57.1535 -12.022 144.597 -81.5282 -67.2366 33.044 -19.6011 PRESSAVG: 4893600 -83.3242 54.3446 -2.21152 54.3447 13.2006 18.5454 -2.21163 18.5454 49.379 GPRESSAVG: 4893600 -81.7558 54.2178 -3.42413 54.3817 13.4939 20.7017 -2.66004 18.354 47.2488 TIMING: 4893600 CPU: 14691.6, 0.00295065/step Wall: 14691.6, 0.00295065/step, 0.0872081 hours remaining, 208.667969 MB of memory in use. ENERGY: 4893600 746.0400 2094.1405 1931.1720 106.4667 -206292.8002 17886.1764 0.0000 0.0000 34291.6325 -149237.1720 299.4774 -183528.8045 -149142.0390 299.3802 -22.6861 8.5355 557365.3586 -6.9148 -7.0043 PRESSURE: 4893800 -384.331 -82.6138 208.404 -82.6146 -136.152 -29.6093 208.405 -29.6095 -204.929 GPRESSURE: 4893800 -350.747 -4.33566 217.718 -179.637 -166.375 -147.518 96.0272 60.5811 -120.376 PRESSAVG: 4893800 -8.81116 -44.9862 7.58613 -44.9861 -54.6797 -29.0389 7.58611 -29.0389 57.5564 GPRESSAVG: 4893800 -9.3026 -45.7647 6.84271 -43.4132 -55.7797 -28.2798 9.58736 -29.8328 58.8289 TIMING: 4893800 CPU: 14692.2, 0.00296755/step Wall: 14692.2, 0.00296755/step, 0.0875428 hours remaining, 208.667969 MB of memory in use. ENERGY: 4893800 786.8388 2079.8251 1953.1519 116.3076 -205814.5605 17375.3281 0.0000 0.0000 34419.0048 -149084.1043 300.5897 -183503.1091 -148984.3787 299.6784 -241.8040 -212.4994 557545.5794 -1.9782 -2.0845 PRESSURE: 4894000 -537.304 -2.56812 27.1515 -2.56862 12.7483 67.7174 27.1512 67.7178 -2.90882 GPRESSURE: 4894000 -491.798 0.653928 128.697 19.6768 62.0947 85.4239 10.2099 39.9584 9.29847 PRESSAVG: 4894000 -47.5073 -34.8976 47.1323 -34.8976 18.356 -29.4397 47.1322 -29.4396 6.39912 GPRESSAVG: 4894000 -48.1202 -34.5554 51.0669 -34.6058 19.7061 -28.9991 44.2291 -31.8863 5.64881 TIMING: 4894000 CPU: 14692.8, 0.00297523/step Wall: 14692.8, 0.00297523/step, 0.0876039 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: 4894000 744.0487 2103.5912 1939.5708 102.7249 -205962.6398 17532.4764 0.0000 0.0000 34405.7794 -149134.4484 300.4742 -183540.2278 -149028.0959 300.0082 -175.8215 -140.1350 556624.1757 -7.5841 -7.5884 PRESSURE: 4894200 265.435 -68.8283 98.5497 -68.8304 -29.0223 156.966 98.5502 156.966 -136.045 GPRESSURE: 4894200 206.583 -52.426 127.768 34.2918 17.5113 85.7638 59.2322 105.022 -41.5048 PRESSAVG: 4894200 -25.55 -13.5973 20.4362 -13.5973 -16.8416 -19.1069 20.436 -19.1069 65.2941 GPRESSAVG: 4894200 -25.0569 -15.6858 18.2964 -12.5252 -17.3251 -22.1415 22.2342 -16.0806 65.1537 TIMING: 4894200 CPU: 14693.4, 0.00295419/step Wall: 14693.4, 0.00295419/step, 0.0868204 hours remaining, 208.667969 MB of memory in use. ENERGY: 4894200 734.5078 2090.4348 1984.0230 105.1291 -206167.8215 17893.4722 0.0000 0.0000 34273.2894 -149086.9652 299.3172 -183360.2546 -148992.9468 299.6236 33.4556 60.8631 556840.8727 7.6342 7.5906 PRESSURE: 4894400 40.492 -33.7154 23.4881 -33.7138 44.9333 39.7784 23.4871 39.7783 -204.769 GPRESSURE: 4894400 20.4396 -6.09503 64.9078 10.8796 115.488 -4.67986 79.2411 67.407 -148.947 PRESSAVG: 4894400 9.99944 -47.1628 44.1864 -47.1627 -12.5235 2.77497 44.1863 2.77498 -17.249 GPRESSAVG: 4894400 9.23242 -45.7667 44.592 -48.2244 -12.1219 4.54398 41.677 0.982303 -16.5389 TIMING: 4894400 CPU: 14694, 0.00296004/step Wall: 14694, 0.00296004/step, 0.0868279 hours remaining, 208.667969 MB of memory in use. ENERGY: 4894400 730.4081 2095.7380 1936.6257 112.4364 -206235.4180 17887.7954 0.0000 0.0000 34245.5787 -149226.8356 299.0752 -183472.4143 -149132.5191 299.5109 -39.7813 -4.3396 558330.4894 -6.5910 -6.4762 PRESSURE: 4894600 -85.3456 -60.3202 154.209 -60.3198 -146.846 114.271 154.209 114.27 -168.986 GPRESSURE: 4894600 -31.6098 -103.8 170.611 -34.8297 -153.186 186.052 120.644 146.392 -110.349 PRESSAVG: 4894600 50.9291 -14.3856 21.5549 -14.3855 -67.6914 57.3175 21.555 57.3174 6.83354 GPRESSAVG: 4894600 51.3023 -14.3618 18.5958 -14.6219 -67.655 58.2036 25.3447 57.4484 6.12987 TIMING: 4894600 CPU: 14694.6, 0.00298462/step Wall: 14694.6, 0.00298462/step, 0.0873831 hours remaining, 208.667969 MB of memory in use. ENERGY: 4894600 759.9226 2044.4489 1950.3776 116.2688 -205829.2016 17592.0532 0.0000 0.0000 34228.3666 -149137.7639 298.9248 -183366.1305 -149043.3149 299.8771 -133.7258 -98.3815 559388.6276 -3.3096 -3.4076 PRESSURE: 4894800 -167.49 14.604 -36.7944 14.6039 125.68 70.9925 -36.7949 70.9923 72.2543 GPRESSURE: 4894800 -101.976 -16.7675 10.0038 -14.3973 143.868 80.3176 42.0393 134.262 67.4015 PRESSAVG: 4894800 107.267 -27.1849 68.3055 -27.185 -49.4162 56.1856 68.3055 56.1857 -41.6945 GPRESSAVG: 4894800 107.072 -25.7354 70.4142 -28.3684 -50.8535 55.025 67.6112 56.96 -40.2811 TIMING: 4894800 CPU: 14695.2, 0.00299032/step Wall: 14695.2, 0.00299032/step, 0.0873838 hours remaining, 208.667969 MB of memory in use. ENERGY: 4894800 731.7923 2062.0730 1982.7256 108.8789 -205843.6599 17721.1139 0.0000 0.0000 34195.4189 -149041.6574 298.6371 -183237.0763 -148943.7829 299.3731 10.1478 36.4310 559367.1454 5.3855 5.3125 PRESSURE: 4895000 -190.284 227.384 -70.1897 227.384 -289.933 33.6562 -70.1904 33.6553 -209.658 GPRESSURE: 4895000 -123.397 182.551 -31.7293 172.927 -217.439 -27.9966 -98.8693 19.8854 -246.616 PRESSAVG: 4895000 -24.2093 -20.1422 38.0558 -20.1423 -11.8272 42.4257 38.0557 42.4256 43.6806 GPRESSAVG: 4895000 -23.1152 -20.989 37.271 -19.8708 -11.0104 43.5837 36.8224 41.3693 41.8433 TIMING: 4895000 CPU: 14695.8, 0.00297361/step Wall: 14695.8, 0.00297361/step, 0.0867303 hours remaining, 208.667969 MB of memory in use. ENERGY: 4895000 771.1594 2070.1315 1948.1536 106.7669 -205497.8442 17417.9413 0.0000 0.0000 34296.6063 -148887.0852 299.5208 -183183.6915 -148787.3576 299.2420 -229.9582 -195.8171 559544.8076 2.5480 2.5726 PRESSURE: 4895200 -249.292 89.2962 -93.7599 89.2957 -263.995 41.1847 -93.7601 41.187 11.3999 GPRESSURE: 4895200 -225.973 25.0218 -12.8051 115.719 -175.704 3.05346 -193.131 134.531 -9.53346 PRESSAVG: 4895200 -14.4161 9.22273 0.721241 9.22271 41.1779 41.1159 0.721268 41.1159 -6.14666 GPRESSAVG: 4895200 -15.9419 7.20902 -0.861952 9.59454 41.7162 40.8297 3.36652 40.1845 -4.98099 TIMING: 4895200 CPU: 14696.4, 0.00297469/step Wall: 14696.4, 0.00297469/step, 0.0865966 hours remaining, 208.667969 MB of memory in use. ENERGY: 4895200 740.5343 2144.1309 1938.2066 108.4892 -205646.7015 17542.3537 0.0000 0.0000 34345.0440 -148827.9429 299.9438 -183172.9869 -148735.3621 300.0700 -167.2960 -137.0702 560177.9305 6.8717 6.9311 PRESSURE: 4895400 -58.5956 119.621 46.1518 119.621 -129.966 -92.2332 46.1531 -92.2333 -207.83 GPRESSURE: 4895400 -101.819 50.7544 41.0049 43.28 -130.475 -89.0982 89.1353 -104.023 -73.0097 PRESSAVG: 4895400 -13.1342 -56.1465 -17.9339 -56.1465 -49.5828 20.3562 -17.9339 20.3563 36.6911 GPRESSAVG: 4895400 -11.6161 -53.4103 -15.2817 -56.1577 -49.8376 19.5963 -19.0734 20.2627 35.8039 TIMING: 4895400 CPU: 14697, 0.00299989/step Wall: 14697, 0.00299989/step, 0.0871634 hours remaining, 208.667969 MB of memory in use. ENERGY: 4895400 758.2168 2092.7904 1951.6740 110.9336 -205957.4504 17770.2917 0.0000 0.0000 34462.5467 -148810.9971 300.9700 -183273.5438 -148716.5930 299.8558 -132.1306 -101.7679 559849.8243 -8.6753 -8.5499 PRESSURE: 4895600 -212.961 -46.3752 111.751 -46.3759 -194.494 -35.9851 111.751 -35.9853 -237 GPRESSURE: 4895600 -223.229 -6.03433 68.1757 -59.7871 -168.894 -16.9514 182.042 19.4787 -177.33 PRESSAVG: 4895600 0.984893 -31.8917 -23.6157 -31.8917 -64.6931 31.1059 -23.6156 31.106 49.2577 GPRESSAVG: 4895600 -0.27111 -33.0054 -24.5086 -32.4052 -64.8267 30.6061 -23.0129 32.6268 50.0163 TIMING: 4895600 CPU: 14697.6, 0.00297855/step Wall: 14697.6, 0.00297855/step, 0.086378 hours remaining, 208.667969 MB of memory in use. ENERGY: 4895600 749.8126 2102.2508 1927.6192 126.1550 -205554.9542 17470.0817 0.0000 0.0000 34373.8672 -148805.1677 300.1955 -183179.0350 -148707.2575 300.4534 -214.8182 -189.8177 559035.6541 -4.8168 -5.0272 PRESSURE: 4895800 339.967 -160.939 -116.843 -160.94 -118.19 -128.62 -116.844 -128.618 51.4073 GPRESSURE: 4895800 319.013 -165.31 -71.9592 -161.118 -30.8728 -85.2273 -143.35 -38.1801 75.885 PRESSAVG: 4895800 21.5923 -16.0706 15.4894 -16.0705 7.36312 -67.4164 15.4895 -67.4164 17.1486 GPRESSAVG: 4895800 22.9307 -17.0785 17.8152 -14.2977 6.89917 -66.7284 13.2237 -67.9634 16.5491 TIMING: 4895800 CPU: 14698.2, 0.00297265/step Wall: 14698.2, 0.00297265/step, 0.0860417 hours remaining, 208.667969 MB of memory in use. ENERGY: 4895800 761.3310 2118.2702 1918.2335 125.2205 -206147.5970 17996.5521 0.0000 0.0000 34622.4544 -148605.5353 302.3665 -183227.9897 -148504.3453 300.6722 91.0617 121.3419 557903.6456 15.3680 15.4597 PRESSURE: 4896000 111.645 -4.21481 201.328 -4.21539 -13.977 69.9264 201.326 69.928 -64.8971 GPRESSURE: 4896000 155.695 55.2611 136.496 -13.0863 -6.01987 40.2915 210.321 14.8899 -16.9394 PRESSAVG: 4896000 -15.3576 -3.45737 -10.9658 -3.45748 -21.1764 51.2 -10.9658 51.2001 40.2819 GPRESSAVG: 4896000 -15.8435 -1.20552 -13.2433 -5.16049 -21.5018 50.0253 -10.3711 51.3447 40.7594 TIMING: 4896000 CPU: 14698.8, 0.00297944/step Wall: 14698.8, 0.00297944/step, 0.0860726 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: 4896000 774.3200 2099.1089 1944.1794 111.3855 -205734.7430 17857.9170 0.0000 0.0000 34417.6063 -148530.2260 300.5775 -182947.8323 -148432.1476 300.9404 10.9236 44.2451 557871.6639 1.2493 1.1380 PRESSURE: 4896200 -105.805 81.8102 -45.1483 81.8088 41.3602 48.7075 -45.148 48.7078 -207.069 GPRESSURE: 4896200 -49.4694 4.10821 56.5047 54.4386 44.6461 73.1353 -113.843 40.4077 -181.011 PRESSAVG: 4896200 -6.55192 -7.21306 53.8986 -7.21305 -22.4905 41.7614 53.8985 41.7613 15.7936 GPRESSAVG: 4896200 -5.42857 -9.30225 56.5822 -7.14788 -21.9675 42.4252 53.5034 41.639 13.6989 TIMING: 4896200 CPU: 14699.4, 0.00296153/step Wall: 14699.4, 0.00296153/step, 0.0853909 hours remaining, 208.667969 MB of memory in use. ENERGY: 4896200 778.8823 2073.6528 1935.8470 118.1325 -205638.7907 17810.1000 0.0000 0.0000 34489.0955 -148433.0806 301.2018 -182922.1762 -148335.5194 301.1021 -90.5043 -61.9449 559822.8716 -4.4163 -4.5657 LDB: ============= START OF LOAD BALANCING ============== 14702.9 LDB: ============== END OF LOAD BALANCING =============== 14702.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14702.9 LDB: ============= START OF LOAD BALANCING ============== 14703.2 LDB: Largest compute 4773 load 0.025091 is 21.2% of average load 0.118268 LDB: Average compute 0.001729 is 1.5% of average load 0.118268 LDB: TIME 14703.2 LOAD: AVG 0.118268 MAX 0.214966 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.941 MB LDB: TIME 14703.2 LOAD: AVG 0.118268 MAX 0.214966 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.184 MB LDB: TIME 14703.2 LOAD: AVG 0.118268 MAX 0.214966 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.184 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14703.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14703.2 PRESSURE: 4896400 48.1201 77.0175 59.5373 77.0182 -50.8123 66.8796 59.5362 66.8803 72.5315 GPRESSURE: 4896400 49.3703 -11.11 4.27305 90.5416 15.9005 0.272429 138.148 111.491 104.714 PRESSAVG: 4896400 35.9796 0.0209888 48.9002 0.0209792 1.18331 -49.9361 48.9002 -49.936 7.70968 GPRESSAVG: 4896400 34.1881 0.430417 48.1338 0.515333 1.93294 -49.4862 50.6598 -49.8883 8.37807 TIMING: 4896400 CPU: 14700, 0.0030598/step Wall: 14700, 0.0030598/step, 0.0880542 hours remaining, 208.726562 MB of memory in use. ENERGY: 4896400 711.8959 2076.5089 1937.0295 113.9607 -205845.6540 17920.4584 0.0000 0.0000 34569.4353 -148516.3652 301.9035 -183085.8005 -148424.7924 301.6175 23.2798 56.6616 559182.7904 14.9575 14.8331 PRESSURE: 4896600 -228.411 -62.1029 -121.32 -62.1023 37.5447 -31.9073 -121.32 -31.9071 128.886 GPRESSURE: 4896600 -159.592 -93.9105 -202.247 -6.29782 11.0674 -137.746 -137.52 5.14399 186.604 PRESSAVG: 4896600 -28.9747 14.7844 -25.702 14.7845 53.5088 0.283484 -25.7019 0.283337 1.41516 GPRESSAVG: 4896600 -30.4789 15.5418 -25.189 14.1088 53.516 0.267713 -26.5281 0.489469 2.98256 TIMING: 4896600 CPU: 14700.6, 0.00299749/step Wall: 14700.6, 0.00299749/step, 0.0860945 hours remaining, 208.929688 MB of memory in use. ENERGY: 4896600 775.4191 2118.4015 1926.8935 112.4909 -205812.3377 17614.3535 0.0000 0.0000 34631.4075 -148633.3717 302.4447 -183264.7791 -148540.3587 301.4756 -20.6602 12.6933 556960.0005 8.6497 8.6732 PRESSURE: 4896800 85.1003 6.21346 130.522 6.21444 -122.819 -40.6212 130.522 -40.6211 30.0697 GPRESSURE: 4896800 134.53 43.1571 161.632 7.05131 -110.356 -38.7907 98.1626 -83.4554 60.4613 PRESSAVG: 4896800 -73.0368 -12.8191 52.0636 -12.8191 -1.55667 -13.1963 52.0636 -13.196 72.8726 GPRESSAVG: 4896800 -72.315 -12.0477 52.0786 -14.42 -2.44817 -12.5442 51.7752 -12.7164 72.4984 TIMING: 4896800 CPU: 14701.2, 0.00300214/step Wall: 14701.2, 0.00300214/step, 0.0860612 hours remaining, 208.929688 MB of memory in use. ENERGY: 4896800 732.1940 2144.2260 1946.5259 122.0209 -205769.2032 17648.5178 0.0000 0.0000 34280.4085 -148895.3101 299.3793 -183175.7186 -148794.3820 300.1949 -2.5498 28.2118 557352.1975 -0.5736 -0.7549 PRESSURE: 4897000 -77.4434 34.1908 -101.868 34.1909 86.1265 -59.2985 -101.869 -59.3006 213.608 GPRESSURE: 4897000 -60.7866 -30.3171 -66.0447 139.423 150.898 -81.0765 -193.459 -64.9648 230.903 PRESSAVG: 4897000 30.3467 23.3498 -4.7246 23.3499 -32.0117 -16.3202 -4.72453 -16.3201 30.3389 GPRESSAVG: 4897000 30.6125 23.1198 -4.77116 24.6108 -31.0831 -17.6009 -5.87089 -15.21 29.2249 TIMING: 4897000 CPU: 14701.8, 0.00299995/step Wall: 14701.8, 0.00299995/step, 0.0858319 hours remaining, 208.929688 MB of memory in use. ENERGY: 4897000 769.9290 2096.5112 1944.5491 116.1373 -205678.8587 17720.6929 0.0000 0.0000 34292.7443 -148738.2949 299.4871 -183031.0391 -148645.7739 299.9275 74.0972 107.0050 556221.5889 9.5580 9.5848 PRESSURE: 4897200 -127.643 116.098 55.7136 116.097 126.532 -52.481 55.7135 -52.4812 -43.0544 GPRESSURE: 4897200 -9.73557 120.992 59.818 42.8959 111.677 -80.3348 7.15129 -54.6733 -51.9443 PRESSAVG: 4897200 -12.3862 -25.304 -1.27125 -25.304 -35.5954 4.47964 -1.27124 4.47957 59.7846 GPRESSAVG: 4897200 -11.7027 -28.1206 -1.50197 -24.1207 -37.4174 4.16127 -0.363478 3.84572 60.5655 TIMING: 4897200 CPU: 14702.4, 0.00301635/step Wall: 14702.4, 0.00301635/step, 0.0861337 hours remaining, 208.929688 MB of memory in use. ENERGY: 4897200 771.9588 2079.5520 1945.3779 119.3414 -206198.9826 17953.4652 0.0000 0.0000 34430.9962 -148898.2912 300.6945 -183329.2874 -148803.2193 299.7098 -14.7219 16.6657 558239.2138 3.9343 3.8151 PRESSURE: 4897400 -12.1716 2.20418 -13.8972 2.20611 -113.326 -100.447 -13.8971 -100.448 -203.285 GPRESSURE: 4897400 54.4094 -59.0356 3.40533 24.233 -126.788 -129.667 -42.9644 -73.6084 -167.289 PRESSAVG: 4897400 2.34484 35.3612 31.2419 35.3612 -86.1456 2.13127 31.2419 2.13121 63.296 GPRESSAVG: 4897400 2.3503 36.4169 30.6703 34.0522 -84.7425 2.48259 31.711 1.70203 62.0776 TIMING: 4897400 CPU: 14703, 0.0029997/step Wall: 14703, 0.00299969/step, 0.0854913 hours remaining, 208.929688 MB of memory in use. ENERGY: 4897400 696.3271 2122.8485 1943.4929 120.8198 -205452.3034 17361.2768 0.0000 0.0000 34504.1036 -148703.4345 301.3329 -183207.5382 -148601.6088 300.4625 -109.5940 -79.8894 556882.7609 -6.8349 -6.7715 PRESSURE: 4897600 -138.232 -70.0432 -132.551 -70.0434 -42.1393 0.80374 -132.553 0.804134 -70.7634 GPRESSURE: 4897600 -24.1212 -38.4054 -159.989 -86.0902 -97.3213 108.385 -217.802 -51.5682 -22.4958 PRESSAVG: 4897600 21.2035 -21.1248 -12.5878 -21.1248 -36.0744 39.9081 -12.5878 39.9081 38.733 GPRESSAVG: 4897600 22.0752 -19.1862 -11.404 -22.0182 -37.275 39.532 -12.9962 41.6863 38.7991 TIMING: 4897600 CPU: 14703.6, 0.00297805/step Wall: 14703.6, 0.00297805/step, 0.0847089 hours remaining, 208.929688 MB of memory in use. ENERGY: 4897600 753.6296 2104.1217 1950.6526 101.8404 -205495.6492 17529.1845 0.0000 0.0000 34300.0369 -148756.1835 299.5508 -183056.2204 -148659.1018 300.4756 -83.7115 -47.9794 556818.5921 7.9540 7.8664 PRESSURE: 4897800 305.432 54.2105 97.9929 54.2107 249.135 219.806 97.9936 219.806 41.4155 GPRESSURE: 4897800 350.512 93.7766 77.606 36.2797 256.684 145.986 159.477 165.217 85.138 PRESSAVG: 4897800 11.4939 -17.522 15.8946 -17.522 -7.15553 -18.3193 15.8946 -18.3194 3.70697 GPRESSAVG: 4897800 8.15128 -20.2886 13.0167 -15.7368 -6.48982 -18.3506 16.5743 -18.9385 5.85095 TIMING: 4897800 CPU: 14704.2, 0.0029613/step Wall: 14704.2, 0.0029613/step, 0.0840681 hours remaining, 208.929688 MB of memory in use. ENERGY: 4897800 747.3692 2117.3531 1920.5944 120.9556 -206160.2051 17959.1320 0.0000 0.0000 34429.5962 -148865.2046 300.6822 -183294.8009 -148759.7285 300.4998 198.6610 230.7777 556633.6274 2.6818 2.5041 PRESSURE: 4898000 26.762 -57.1143 84.2534 -57.1162 26.1158 -11.4686 84.2537 -11.4672 18.2209 GPRESSURE: 4898000 -10.379 -72.5634 44.4235 -116.293 58.0533 19.1046 98.8362 44.5963 119.193 PRESSAVG: 4898000 29.7403 20.5776 -2.58206 20.5776 -20.668 59.5962 -2.58209 59.5962 11.1194 GPRESSAVG: 4898000 31.9861 22.1496 -0.602041 20.0401 -21.5354 60.7373 -3.84845 58.5874 10.0373 TIMING: 4898000 CPU: 14704.8, 0.00297903/step Wall: 14704.8, 0.00297903/step, 0.0844059 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: 4898000 745.2791 2090.9117 1943.7646 99.1749 -205732.1420 17596.1931 0.0000 0.0000 34297.4585 -148959.3601 299.5282 -183256.8186 -148865.1857 300.6219 23.6996 55.6225 557346.6563 6.7306 6.8293 PRESSURE: 4898200 10.7123 -7.14201 25.5045 -7.14237 -115.274 -108.574 25.5038 -108.573 57.5984 GPRESSURE: 4898200 -34.6839 5.3488 -54.74 -49.7296 20.6062 -107.01 -1.79831 -70.8728 66.1838 PRESSAVG: 4898200 -41.6999 2.37825 -29.0781 2.37826 2.49662 -43.3899 -29.0782 -43.3898 10.7912 GPRESSAVG: 4898200 -42.0196 1.3879 -29.8993 3.52841 3.7726 -43.6982 -29.0054 -42.904 10.2928 TIMING: 4898200 CPU: 14705.4, 0.00298833/step Wall: 14705.4, 0.00298833/step, 0.0845033 hours remaining, 208.929688 MB of memory in use. ENERGY: 4898200 759.8461 2047.9706 1940.5996 116.2387 -206268.7859 17841.7275 0.0000 0.0000 34466.8734 -149095.5302 301.0078 -183562.4035 -148994.9796 299.7877 -15.6546 17.3687 557710.0442 -9.4707 -9.3181 PRESSURE: 4898400 98.749 94.4328 -63.4036 94.4342 -37.0966 79.7005 -63.4042 79.7 148.846 GPRESSURE: 4898400 116.788 109.446 -131.254 80.9389 25.0709 63.3752 2.34375 101.45 157.187 PRESSAVG: 4898400 19.9024 50.6512 -71.84 50.6513 23.2471 -23.2196 -71.8401 -23.2197 -0.641964 GPRESSAVG: 4898400 20.8582 52.0134 -71.4673 48.0398 23.5268 -22.8697 -71.7624 -20.5909 -2.02695 TIMING: 4898400 CPU: 14706, 0.00294907/step Wall: 14706, 0.00294907/step, 0.0832294 hours remaining, 208.929688 MB of memory in use. ENERGY: 4898400 787.2869 2093.8141 1950.5400 112.1318 -206299.3764 17882.1771 0.0000 0.0000 34429.5732 -149043.8533 300.6820 -183473.4265 -148949.4321 299.7496 70.1663 99.6821 556437.7506 14.1692 14.1194 PRESSURE: 4898600 155.654 173.847 16.0057 173.847 228.435 52.1137 16.0049 52.1138 86.4995 GPRESSURE: 4898600 231.576 171.629 -43.2397 177.966 205.181 19.4277 -63.0767 -9.2624 122.574 PRESSAVG: 4898600 21.2556 -16.2138 -23.3715 -16.2139 -12.8634 -7.40278 -23.3716 -7.40277 14.0091 GPRESSAVG: 4898600 20.8295 -16.1413 -23.6692 -14.9637 -14.3375 -6.76457 -22.1157 -8.67363 15.1343 TIMING: 4898600 CPU: 14706.6, 0.00296707/step Wall: 14706.6, 0.00296707/step, 0.0835724 hours remaining, 208.929688 MB of memory in use. ENERGY: 4898600 717.7885 2122.7063 1963.7407 120.4628 -206430.5497 17960.3696 0.0000 0.0000 34565.6144 -148979.8675 301.8701 -183545.4819 -148880.0489 299.8958 156.8631 186.4436 555205.8010 7.4671 7.2088 PRESSURE: 4898800 39.2455 57.0848 60.5646 57.0851 -38.1967 12.0509 60.566 12.052 -216.795 GPRESSURE: 4898800 44.0485 58.6574 72.5477 77.322 -28.7999 59.3814 -13.3149 -19.8029 -130.511 PRESSAVG: 4898800 -35.5424 -10.3397 96.2392 -10.3397 51.6136 -14.8098 96.2393 -14.8098 -14.5724 GPRESSAVG: 4898800 -36.499 -12.0498 95.0778 -11.5345 51.6102 -15.9231 95.8671 -17.7874 -13.701 TIMING: 4898800 CPU: 14707.2, 0.00298533/step Wall: 14707.2, 0.00298533/step, 0.0839209 hours remaining, 208.929688 MB of memory in use. ENERGY: 4898800 743.8534 2067.1607 1956.5375 112.9661 -205870.4795 17624.8947 0.0000 0.0000 34322.5326 -149042.5344 299.7472 -183365.0670 -148949.0603 300.1859 -71.9154 -38.4209 557935.4350 0.4996 0.4701 PRESSURE: 4899000 62.243 111.329 22.1138 111.328 61.2461 -49.7961 22.1136 -49.7956 64.6767 GPRESSURE: 4899000 103.712 16.0524 -25.1488 121.087 120.634 -4.67149 61.9681 -22.3211 61.2342 PRESSAVG: 4899000 8.45026 -8.24568 37.3452 -8.24568 -68.2522 -6.23169 37.3453 -6.23163 32.5581 GPRESSAVG: 4899000 8.09534 -7.28053 38.765 -8.64056 -67.3311 -7.42998 37.6121 -5.53685 32.0916 TIMING: 4899000 CPU: 14707.7, 0.00296802/step Wall: 14707.7, 0.00296802/step, 0.0832694 hours remaining, 208.929688 MB of memory in use. ENERGY: 4899000 733.0722 2062.2902 1925.3855 107.7428 -205823.9617 17689.8626 0.0000 0.0000 34211.5908 -149094.0177 298.7783 -183305.6085 -148990.0946 299.8090 62.7219 95.1935 557913.5298 -9.0813 -9.0481 PRESSURE: 4899200 170.935 147.035 100.236 147.036 -144.538 -42.8102 100.237 -42.809 108.736 GPRESSURE: 4899200 188.71 143.877 123.425 225.149 -122.74 -157.745 -12.6117 47.8155 163.122 PRESSAVG: 4899200 8.15592 37.7251 44.12 37.7251 -17.4028 -27.2976 44.12 -27.2976 49.4206 GPRESSAVG: 4899200 9.09215 37.11 43.6875 41.0449 -16.704 -27.3927 43.3335 -24.4142 47.8731 TIMING: 4899200 CPU: 14708.3, 0.00297414/step Wall: 14708.3, 0.00297414/step, 0.0832758 hours remaining, 208.929688 MB of memory in use. ENERGY: 4899200 719.2013 2112.6178 1940.3394 122.9228 -205885.6530 17753.7461 0.0000 0.0000 34320.2940 -148916.5315 299.7277 -183236.8255 -148817.5512 300.5237 45.0443 76.3641 556133.8450 13.3912 13.4204 PRESSURE: 4899400 98.5349 8.41603 27.3146 8.41478 30.1334 -159.489 27.3147 -159.489 86.3334 GPRESSURE: 4899400 108.824 43.4552 -22.0348 -35.2191 16.8705 -117.487 52.5414 -127.109 186.203 PRESSAVG: 4899400 -11.2334 73.7323 24.6689 73.7322 16.7805 23.2607 24.6689 23.2606 8.25139 GPRESSAVG: 4899400 -12.7303 75.5389 25.9996 69.0422 15.7474 24.9759 23.1219 22.8436 10.8078 TIMING: 4899400 CPU: 14708.9, 0.00300731/step Wall: 14708.9, 0.00300731/step, 0.0840376 hours remaining, 208.929688 MB of memory in use. ENERGY: 4899400 697.2720 2124.1984 1945.7035 109.1199 -205778.5506 17767.0295 0.0000 0.0000 34360.8116 -148774.4157 300.0815 -183135.2273 -148678.3866 301.3976 71.6672 103.9659 558807.3151 4.5995 4.6083 PRESSURE: 4899600 -27.4618 -62.1709 60.574 -62.1717 -31.9501 -46.8609 60.575 -46.8585 -35.6383 GPRESSURE: 4899600 63.3134 -25.0348 94.0841 -65.5231 -24.5176 -31.6653 73.5362 -22.636 -37.8295 PRESSAVG: 4899600 -83.2368 40.2384 14.748 40.2384 1.62973 6.14868 14.748 6.14866 60.4048 GPRESSAVG: 4899600 -81.3911 37.7547 14.0636 44.2221 1.85166 6.99144 15.9731 3.90018 59.0578 TIMING: 4899600 CPU: 14709.5, 0.00299581/step Wall: 14709.5, 0.00299581/step, 0.0835498 hours remaining, 208.929688 MB of memory in use. ENERGY: 4899600 751.8004 2026.7996 1926.6486 114.5429 -205827.0180 17761.2138 0.0000 0.0000 34349.5057 -148896.5069 299.9828 -183246.0126 -148799.7621 300.7048 -31.6834 0.3221 559216.4224 -7.0674 -6.8272 PRESSURE: 4899800 -153.841 -35.7582 -65.27 -35.7573 -90.9736 79.9139 -65.2706 79.9146 -181.442 GPRESSURE: 4899800 -129.3 -26.3197 -134.982 -8.03342 -64.0141 60.14 2.36521 198.641 -135.262 PRESSAVG: 4899800 -14.5714 24.9444 20.4902 24.9443 -45.2413 44.9879 20.4903 44.9878 60.2453 GPRESSAVG: 4899800 -15.6084 23.9235 20.0194 24.4131 -45.3142 43.1603 20.5911 46.2482 61.6751 TIMING: 4899800 CPU: 14710.1, 0.00296593/step Wall: 14710.1, 0.00296593/step, 0.0825517 hours remaining, 208.929688 MB of memory in use. ENERGY: 4899800 766.4899 2006.3540 1964.7197 115.0084 -205732.8571 17590.6589 0.0000 0.0000 34190.8601 -149098.7660 298.5973 -183289.6261 -148996.5809 299.3907 -142.0855 -109.5251 557662.3289 0.1442 0.2508 PRESSURE: 4900000 -166.79 78.4979 -142.409 78.4982 -28.2303 1.48495 -142.409 1.48458 -308.754 GPRESSURE: 4900000 -108.633 72.3792 -148.878 -23.8267 -30.4448 -21.0442 -121.418 31.2716 -270.558 PRESSAVG: 4900000 13.7958 28.9562 -34.0673 28.9562 22.9724 -5.95613 -34.0674 -5.95614 -30.044 GPRESSAVG: 4900000 14.2439 31.8099 -33.7481 27.7547 22.681 -4.67538 -35.0182 -7.15976 -31.0811 TIMING: 4900000 CPU: 14710.7, 0.00295775/step Wall: 14710.7, 0.00295775/step, 0.0821597 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: 4900000 751.1813 2045.7771 1919.2167 112.1249 -205467.9179 17409.8219 0.0000 0.0000 34003.5179 -149226.2780 296.9612 -183229.7959 -149128.9267 298.6366 -167.9249 -136.5453 558392.6465 2.2414 1.9480 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4900000 WRITING COORDINATES TO DCD FILE MD.3.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 72.447 -225.66 -15.0965 -225.659 212.735 -46.1116 -15.0963 -46.1108 95.1897 GPRESSURE: 4900200 77.0081 -242.665 21.171 -297.053 258.289 21.0657 9.05499 -104.4 130.297 PRESSAVG: 4900200 19.7405 26.3127 -21.0568 26.3127 -28.6492 -48.4386 -21.0569 -48.4386 2.47275 GPRESSAVG: 4900200 19.4887 25.9681 -21.4055 25.2035 -27.938 -48.2827 -20.1743 -48.7504 2.26626 TIMING: 4900200 CPU: 14711.3, 0.00303379/step Wall: 14711.3, 0.00303379/step, 0.0841035 hours remaining, 209.035156 MB of memory in use. ENERGY: 4900200 735.3348 2071.3355 1934.9893 100.9929 -206208.8338 17898.0209 0.0000 0.0000 34407.9343 -149060.2262 300.4930 -183468.1605 -148967.9365 299.4518 126.7906 155.1981 557201.8740 -2.1453 -2.0610 LDB: ============= START OF LOAD BALANCING ============== 14714.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14714.8 LDB: =============== DONE WITH MIGRATION ================ 14714.9 LDB: ============= START OF LOAD BALANCING ============== 14715.1 LDB: Largest compute 4773 load 0.025426 is 21.5% of average load 0.118364 LDB: Average compute 0.001716 is 1.5% of average load 0.118364 LDB: TIME 14715.2 LOAD: AVG 0.118364 MAX 0.213512 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.75 MB LDB: TIME 14715.2 LOAD: AVG 0.118364 MAX 0.213512 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.82 MB LDB: TIME 14715.2 LOAD: AVG 0.118364 MAX 0.213512 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.82 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14715.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14715.2 PRESSURE: 4900400 -152.609 22.1912 158.382 22.191 152.78 -56.6242 158.381 -56.6247 11.6814 GPRESSURE: 4900400 -71.2917 43.7111 144.252 2.37176 157.537 -18.4425 184.997 -166.257 22.7674 PRESSAVG: 4900400 -76.6782 16.9135 19.4752 16.9137 70.8487 -34.0448 19.4752 -34.0449 34.0358 GPRESSAVG: 4900400 -76.1103 15.88 20.5074 18.0773 69.8881 -35.3384 17.8142 -32.8541 34.1467 TIMING: 4900400 CPU: 14711.9, 0.00302498/step Wall: 14711.9, 0.00302498/step, 0.083691 hours remaining, 210.058594 MB of memory in use. ENERGY: 4900400 738.0319 2058.8523 1931.8483 117.5361 -206205.0639 17859.5931 0.0000 0.0000 34335.8070 -149163.3952 299.8631 -183499.2022 -149059.9496 298.9606 3.9509 36.3376 557720.9255 9.4021 9.3081 PRESSURE: 4900600 13.2317 -109.366 125.802 -109.367 -27.7681 -164.923 125.802 -164.922 -76.0346 GPRESSURE: 4900600 -22.2005 -34.8578 209.607 -113.599 5.64843 -133.499 142.804 -111.658 18.8136 PRESSAVG: 4900600 -15.4835 -3.75146 7.01503 -3.75157 -25.5055 -32.3303 7.01511 -32.3302 10.0603 GPRESSAVG: 4900600 -15.8495 -2.48861 6.33368 -3.71687 -25.7618 -32.7688 7.44737 -31.3641 10.485 TIMING: 4900600 CPU: 14712.5, 0.00295753/step Wall: 14712.5, 0.00295753/step, 0.0816607 hours remaining, 210.128906 MB of memory in use. ENERGY: 4900600 723.8646 2087.4119 1942.3551 120.6973 -206035.8513 17660.5349 0.0000 0.0000 34160.1687 -149340.8188 298.3292 -183500.9875 -149246.0565 299.2914 -30.1904 0.7538 557096.4900 -10.3095 -10.3755 PRESSURE: 4900800 -160.67 122.599 142.107 122.6 59.8583 -116.249 142.107 -116.25 -5.15355 GPRESSURE: 4900800 -110.759 170.549 227.911 147.908 30.6467 -94.7106 109.595 -104.935 56.706 PRESSAVG: 4900800 16.4064 -29.7292 2.95634 -29.7292 -24.318 -72.024 2.9564 -72.024 25.1472 GPRESSAVG: 4900800 16.448 -29.5719 3.06453 -28.2172 -23.7662 -71.1573 2.6031 -73.5724 24.2872 TIMING: 4900800 CPU: 14713.1, 0.00296359/step Wall: 14713.1, 0.00296359/step, 0.0816635 hours remaining, 210.128906 MB of memory in use. ENERGY: 4900800 755.9708 2022.9660 1942.7332 112.5536 -206157.9073 17810.6597 0.0000 0.0000 34062.1160 -149450.9080 297.4729 -183513.0240 -149359.9178 298.6969 -35.3218 -7.8020 558336.9124 5.7452 5.6563 PRESSURE: 4901000 -51.7974 24.9209 29.2164 24.9221 6.13847 41.8352 29.216 41.8351 -24.0969 GPRESSURE: 4901000 20.9668 -2.90954 8.56698 103.047 -13.9086 70.6733 37.9764 20.4372 20.9522 PRESSAVG: 4901000 -26.6984 21.1065 44.492 21.1066 -34.2078 -3.08563 44.4919 -3.08571 80.0957 GPRESSAVG: 4901000 -26.79 20.1849 43.3575 21.1531 -35.258 -1.8904 47.3047 -3.14727 81.2504 TIMING: 4901000 CPU: 14713.7, 0.00297053/step Wall: 14713.7, 0.00297053/step, 0.0816895 hours remaining, 210.128906 MB of memory in use. ENERGY: 4901000 769.2163 2048.0760 1950.7152 114.9725 -206218.2044 17800.5416 0.0000 0.0000 34214.8268 -149319.8560 298.8066 -183534.6828 -149235.7947 298.6974 -23.2520 9.3368 558460.7700 6.3965 6.4008 PRESSURE: 4901200 193.888 -246.529 -241.497 -246.529 -172.294 -106.427 -241.498 -106.427 161.728 GPRESSURE: 4901200 172.327 -302.942 -202.563 -158.77 -79.7169 -160.814 -206.605 -13.1927 181.306 PRESSAVG: 4901200 13.9679 -38.7235 -27.9804 -38.7234 -82.5561 -37.6213 -27.9804 -37.6213 65.2412 GPRESSAVG: 4901200 14.41 -40.0248 -26.7068 -38.6848 -81.6709 -40.1587 -29.7625 -38.2148 64.338 TIMING: 4901200 CPU: 14714.3, 0.00299442/step Wall: 14714.3, 0.00299442/step, 0.0821803 hours remaining, 210.128906 MB of memory in use. ENERGY: 4901200 748.7112 2079.9982 1945.9021 111.6312 -206457.3106 17890.1928 0.0000 0.0000 34248.6024 -149432.2727 299.1016 -183680.8751 -149333.7085 298.5779 61.1073 91.3053 557398.1594 -1.1157 -0.9743 PRESSURE: 4901400 -410.02 92.4233 85.1017 92.4224 -20.3296 -2.64566 85.1017 -2.64498 -115.499 GPRESSURE: 4901400 -373.429 45.75 0.792024 75.6649 -48.3862 -10.7255 127.852 -39.8527 -30.0929 PRESSAVG: 4901400 51.5598 -35.7137 36.0017 -35.7138 -138.757 30.8586 36.0018 30.8586 46.9475 GPRESSAVG: 4901400 50.8289 -33.9294 37.1103 -36.2527 -137.668 34.1012 35.5546 29.2654 45.5304 TIMING: 4901400 CPU: 14714.9, 0.00298067/step Wall: 14714.9, 0.00298067/step, 0.0816371 hours remaining, 210.128906 MB of memory in use. ENERGY: 4901400 767.6087 2051.8851 1957.0689 107.7015 -206059.9682 17633.9864 0.0000 0.0000 34102.1234 -149439.5941 297.8223 -183541.7175 -149341.9425 298.4546 -181.9496 -150.6361 558094.1234 -13.4166 -13.7695 PRESSURE: 4901600 -186.512 -114.743 -35.2997 -114.743 397.387 99.65 -35.2985 99.6493 -186.867 GPRESSURE: 4901600 -165.385 -126.362 -61.6832 -110.74 404.505 32.5037 -21.4369 105.001 -119.257 PRESSAVG: 4901600 -40.251 -35.1175 57.2843 -35.1175 -4.62948 -21.9844 57.2844 -21.9844 64.6716 GPRESSAVG: 4901600 -39.4234 -36.9346 55.4531 -33.6601 -6.21345 -24.6046 57.9523 -19.3622 65.1923 TIMING: 4901600 CPU: 14715.5, 0.00301358/step Wall: 14715.5, 0.00301358/step, 0.0823711 hours remaining, 210.128906 MB of memory in use. ENERGY: 4901600 714.6567 2059.0902 1935.2847 102.1751 -206221.0199 17734.0835 0.0000 0.0000 34148.1189 -149527.6108 298.2240 -183675.7297 -149433.9531 298.6253 8.0024 39.9543 556763.5458 6.5970 6.5185 PRESSURE: 4901800 81.4212 -26.4251 55.8118 -26.4244 42.4841 104.541 55.8129 104.541 79.4877 GPRESSURE: 4901800 102.584 24.6015 60.7596 -87.7745 38.7563 67.7673 101.122 176.026 150.603 PRESSAVG: 4901800 -6.61678 -40.9649 -21.5021 -40.9649 59.4355 84.4307 -21.5021 84.4306 -28.8417 GPRESSAVG: 4901800 -7.01274 -39.8789 -18.5756 -44.4361 59.0457 82.1718 -21.2876 84.7648 -28.2202 TIMING: 4901800 CPU: 14716.1, 0.0030074/step Wall: 14716.1, 0.0030074/step, 0.0820351 hours remaining, 210.128906 MB of memory in use. ENERGY: 4901800 731.5937 2048.4249 1935.9874 111.6843 -206438.8734 17876.0477 0.0000 0.0000 34384.3572 -149350.7781 300.2871 -183735.1354 -149256.5879 298.7296 67.7977 97.3144 556757.4778 7.9924 7.9376 PRESSURE: 4902000 -36.3041 83.3376 45.5908 83.3384 -252.204 -18.8535 45.5904 -18.8545 -61.9547 GPRESSURE: 4902000 -56.4518 111.997 17.9845 111.049 -173.062 -44.1442 -32.1846 5.90687 -19.2355 PRESSAVG: 4902000 62.9263 8.82014 10.581 8.82015 -68.2853 -5.80072 10.5809 -5.80066 2.2443 GPRESSAVG: 4902000 63.237 7.27533 7.70969 11.7084 -68.1832 -4.68996 11.2442 -5.11028 1.81509 TIMING: 4902000 CPU: 14716.7, 0.00301578/step Wall: 14716.7, 0.00301578/step, 0.0820964 hours remaining, 210.128906 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: 4902000 707.5178 2097.6703 1907.7321 103.1582 -205941.7486 17552.0330 0.0000 0.0000 34210.1479 -149363.4894 298.7657 -183573.6372 -149264.9515 298.3435 -116.8211 -82.9164 557326.3011 -1.0382 -1.0437 PRESSURE: 4902200 158.677 173.016 89.6052 173.015 33.7825 80.5363 89.6056 80.5363 115.556 GPRESSURE: 4902200 147.277 167.942 60.1197 216.614 144.91 77.2416 91.935 -3.39968 122.84 PRESSAVG: 4902200 14.9359 11.8861 -7.84192 11.886 32.8769 17.5501 -7.84186 17.55 -23.4543 GPRESSAVG: 4902200 13.7168 14.3394 -6.29341 10.5296 33.0727 18.8772 -8.51809 15.8938 -23.017 TIMING: 4902200 CPU: 14717.3, 0.0030364/step Wall: 14717.3, 0.0030364/step, 0.0824888 hours remaining, 210.128906 MB of memory in use. ENERGY: 4902200 794.9968 2051.2890 1936.5952 112.6917 -206275.7046 17884.3602 0.0000 0.0000 34178.7011 -149317.0706 298.4911 -183495.7717 -149219.8482 299.1229 102.6719 138.3424 557336.3200 8.1195 7.9242 PRESSURE: 4902400 -75.2755 16.1179 -103.107 16.1179 -127.033 -123.415 -103.108 -123.416 -48.3357 GPRESSURE: 4902400 -83.0136 -13.3089 -152.719 -34.2042 -60.3676 -90.517 -76.7921 -154.147 -7.22546 PRESSAVG: 4902400 82.9397 18.8537 -31.4654 18.8537 -19.2211 12.1827 -31.4654 12.1828 -51.7369 GPRESSAVG: 4902400 83.5296 17.4509 -33.7365 17.7496 -19.6691 15.7844 -30.9597 11.1079 -52.0708 TIMING: 4902400 CPU: 14717.9, 0.00306146/step Wall: 14717.9, 0.00306146/step, 0.0829996 hours remaining, 210.128906 MB of memory in use. ENERGY: 4902400 758.7620 2077.7733 1889.5861 111.6107 -206300.0229 17951.3848 0.0000 0.0000 34039.0314 -149471.8745 297.2713 -183510.9059 -149377.1434 298.2895 -83.5479 -50.2022 558919.7659 3.9939 3.9299 PRESSURE: 4902600 323.569 -81.9577 -17.0981 -81.9574 -217.109 58.7234 -17.0978 58.7239 62.2976 GPRESSURE: 4902600 323.497 -97.1255 -64.9199 -53.3894 -148.529 -5.28142 -48.0241 166.853 95.3235 PRESSAVG: 4902600 27.1472 -21.663 -47.9117 -21.6631 -84.5825 -14.9997 -47.9117 -14.9996 37.9345 GPRESSAVG: 4902600 26.6412 -20.8353 -45.2988 -21.0177 -83.6899 -20.188 -48.341 -13.6226 38.0392 TIMING: 4902600 CPU: 14718.5, 0.0029929/step Wall: 14718.5, 0.0029929/step, 0.0809745 hours remaining, 210.128906 MB of memory in use. ENERGY: 4902600 729.6361 2017.0327 1915.3507 112.7011 -206426.5382 18059.3101 0.0000 0.0000 34014.1242 -149578.3833 297.0538 -183592.5075 -149485.1118 298.3814 56.2527 90.0969 558776.5641 -6.5003 -6.3365 PRESSURE: 4902800 -72.1846 -53.5693 -3.20317 -53.57 6.36005 -68.8039 -3.20365 -68.8031 -96.2657 GPRESSURE: 4902800 -79.7986 5.69699 -33.5183 -112.356 73.0908 45.4646 4.00902 -74.8795 -40.3736 PRESSAVG: 4902800 15.1881 -17.6038 24.1321 -17.6037 -58.9926 6.13181 24.1322 6.13173 25.1312 GPRESSAVG: 4902800 16.3396 -19.0477 23.0556 -18.6667 -59.6653 7.43111 25.936 6.14479 25.3104 TIMING: 4902800 CPU: 14719.1, 0.00301373/step Wall: 14719.1, 0.00301373/step, 0.0813708 hours remaining, 210.218750 MB of memory in use. ENERGY: 4902800 707.6166 2070.3904 1916.0587 108.2889 -206169.5833 17717.9280 0.0000 0.0000 34108.6643 -149540.6363 297.8794 -183649.3006 -149444.1602 297.4443 -54.0301 -15.6938 557401.3953 -6.2244 -6.0051 PRESSURE: 4903000 -60.1406 -47.1 -130.254 -47.1002 24.5655 -59.4699 -130.255 -59.4683 105.572 GPRESSURE: 4903000 -18.4399 -71.1309 -32.9229 -26.0791 8.04316 5.61839 -162.039 -41.343 164.15 PRESSAVG: 4903000 -10.7625 96.4428 -32.7811 96.4428 30.2642 -1.38949 -32.781 -1.38944 -57.3389 GPRESSAVG: 4903000 -11.5918 97.738 -32.2122 97.5743 30.1939 -2.2508 -33.8448 -0.853283 -56.5464 TIMING: 4903000 CPU: 14719.7, 0.003023/step Wall: 14719.7, 0.003023/step, 0.081453 hours remaining, 210.218750 MB of memory in use. ENERGY: 4903000 750.6997 2046.3532 1940.2323 101.9558 -206332.3654 17741.4468 0.0000 0.0000 34292.4858 -149459.1918 299.4848 -183751.6776 -149364.7152 297.9597 23.3324 51.2510 557577.2798 -12.6124 -12.6481 PRESSURE: 4903200 -17.6054 -44.3373 3.0581 -44.3376 -132.486 93.0919 3.05847 93.0926 50.8491 GPRESSURE: 4903200 26.5569 -38.5121 96.6519 -108.36 -56.5629 111.933 -30.166 -44.1284 19.113 PRESSAVG: 4903200 -7.23216 24.4142 21.2315 24.4143 -0.472646 -62.4872 21.2314 -62.4871 -41.0981 GPRESSAVG: 4903200 -5.5856 23.5593 21.3773 26.8746 0.879289 -60.62 20.9473 -64.8691 -44.0271 TIMING: 4903200 CPU: 14720.3, 0.0029928/step Wall: 14720.3, 0.0029928/step, 0.080473 hours remaining, 210.218750 MB of memory in use. ENERGY: 4903200 737.3197 2068.0439 1955.0808 113.9086 -206309.1618 17711.5456 0.0000 0.0000 34302.9595 -149420.3037 299.5763 -183723.2632 -149325.7217 298.8896 -33.0808 -3.6310 557368.0406 -16.2676 -16.2445 PRESSURE: 4903400 22.3496 -77.177 106.931 -77.1765 -318.52 -94.5726 106.931 -94.5739 -6.57971 GPRESSURE: 4903400 60.9262 -101.126 51.457 57.2065 -274.425 -12.7945 102.425 -158.552 14.7733 PRESSAVG: 4903400 -11.7864 -2.48181 59.4471 -2.48193 -8.22568 2.87301 59.447 2.87281 8.67193 GPRESSAVG: 4903400 -12.3626 -3.1389 58.2238 -4.08091 -10.3491 1.91267 59.8528 3.75368 11.0946 TIMING: 4903400 CPU: 14720.9, 0.0029897/step Wall: 14720.9, 0.0029897/step, 0.0802235 hours remaining, 210.218750 MB of memory in use. ENERGY: 4903400 737.0618 2054.1755 1928.1758 121.4516 -206064.1046 17610.0852 0.0000 0.0000 34201.1282 -149412.0264 298.6870 -183613.1546 -149323.3985 298.9694 -100.9166 -66.2418 557794.6609 -3.7801 -3.8724 PRESSURE: 4903600 -195.275 -13.3841 -57.449 -13.3839 -294.042 9.14071 -57.4498 9.14089 -253.04 GPRESSURE: 4903600 -152.215 -32.8358 -48.3426 -44.3532 -270.622 5.52382 -59.1558 -55.9756 -211.008 PRESSAVG: 4903600 -19.0231 12.8344 45.5687 12.8343 30.8513 -53.2452 45.5686 -53.2451 -20.3878 GPRESSAVG: 4903600 -19.4554 13.5968 46.2866 11.6242 31.9586 -52.0287 47.0945 -54.3593 -21.1553 TIMING: 4903600 CPU: 14721.5, 0.00301027/step Wall: 14721.5, 0.00301027/step, 0.0806083 hours remaining, 210.218750 MB of memory in use. ENERGY: 4903600 760.2760 2044.4997 1904.7856 107.5497 -205882.9799 17509.3333 0.0000 0.0000 34094.7763 -149461.7592 297.7582 -183556.5355 -149364.2802 297.8514 -247.4523 -211.2816 557574.8690 -2.8532 -2.8840 PRESSURE: 4903800 38.1749 57.962 11.2206 57.961 82.3013 34.5879 11.2201 34.5879 48.2126 GPRESSURE: 4903800 73.2799 12.3014 21.6268 80.7108 135.958 -11.3433 39.6349 5.20664 49.7242 PRESSAVG: 4903800 -63.7046 32.7284 26.9667 32.7284 31.8459 4.05574 26.9667 4.05573 5.48773 GPRESSAVG: 4903800 -63.0819 31.8854 30.2086 34.0373 31.5067 2.283 24.881 4.9152 4.62471 TIMING: 4903800 CPU: 14722.1, 0.00299348/step Wall: 14722.1, 0.00299348/step, 0.0799924 hours remaining, 210.218750 MB of memory in use. ENERGY: 4903800 742.0112 2092.4098 1910.3020 112.4031 -206493.1389 17916.8284 0.0000 0.0000 34158.3157 -149560.8687 298.3131 -183719.1843 -149460.2046 298.3630 56.2296 86.3208 555940.8099 -8.7903 -8.9835 PRESSURE: 4904000 57.8399 -256.445 -46.7213 -256.447 193.74 -104.235 -46.7239 -104.236 -87.5823 GPRESSURE: 4904000 122.039 -279.669 7.85543 -308.892 175.732 -52.4863 -81.8036 -56.7121 -37.414 PRESSAVG: 4904000 52.3419 -16.8158 40.8957 -16.8157 33.2374 -13.211 40.8958 -13.211 -29.0828 GPRESSAVG: 4904000 51.1102 -14.5287 37.3067 -17.3097 32.5422 -11.6173 41.6426 -13.2206 -27.4019 TIMING: 4904000 CPU: 14722.7, 0.00300105/step Wall: 14722.7, 0.00300105/step, 0.0800279 hours remaining, 210.218750 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: 4904000 735.9270 2091.5514 1899.1260 114.4536 -206669.4348 18011.6914 0.0000 0.0000 34114.5406 -149702.1449 297.9308 -183816.6854 -149609.0095 297.5533 54.6658 86.7859 557139.8629 18.8321 18.7502 PRESSURE: 4904200 -50.3101 168.411 -42.2699 168.411 64.0371 45.758 -42.2693 45.7588 227.119 GPRESSURE: 4904200 -0.688674 238.71 42.594 105.017 72.2495 -15.1233 -76.9989 87.5044 269.289 PRESSAVG: 4904200 13.4407 -71.0082 -27.4177 -71.0082 -3.72364 -25.9227 -27.4177 -25.9226 -41.76 GPRESSAVG: 4904200 14.8185 -71.4335 -27.1301 -72.955 -4.20042 -27.3844 -26.4223 -25.8047 -42.6119 TIMING: 4904200 CPU: 14723.3, 0.00296764/step Wall: 14723.3, 0.00296764/step, 0.0789721 hours remaining, 210.218750 MB of memory in use. ENERGY: 4904200 757.5025 2091.1423 1909.7077 120.0672 -206478.6830 18058.4576 0.0000 0.0000 33959.6551 -149582.1506 296.5781 -183541.8057 -149485.7227 297.8283 80.2820 113.6166 556630.9071 -10.6810 -10.6646 LDB: ============= START OF LOAD BALANCING ============== 14726.9 LDB: ============== END OF LOAD BALANCING =============== 14726.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14726.9 LDB: ============= START OF LOAD BALANCING ============== 14727.2 LDB: Largest compute 4773 load 0.026184 is 22.1% of average load 0.118286 LDB: Average compute 0.001710 is 1.4% of average load 0.118286 LDB: TIME 14727.2 LOAD: AVG 0.118286 MAX 0.211999 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.203 MB LDB: TIME 14727.2 LOAD: AVG 0.118286 MAX 0.211999 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.273 MB LDB: TIME 14727.2 LOAD: AVG 0.118286 MAX 0.211999 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.273 MB LDB: ============== END OF LOAD BALANCING =============== 14727.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14727.2 PRESSURE: 4904400 59.956 -110.965 -115.287 -110.965 126.804 75.8004 -115.286 75.8003 -268.091 GPRESSURE: 4904400 44.9557 -84.4276 -44.6279 -27.4501 220.041 16.9145 -152.291 86.5864 -243.198 PRESSAVG: 4904400 55.8311 -44.0302 -20.0871 -44.0301 -45.4358 48.7827 -20.087 48.7826 -32.3123 GPRESSAVG: 4904400 54.1226 -45.7718 -20.5551 -41.6237 -43.9308 49.5609 -21.3778 48.2088 -32.5813 TIMING: 4904400 CPU: 14723.9, 0.00302852/step Wall: 14723.9, 0.00302852/step, 0.080424 hours remaining, 209.035156 MB of memory in use. ENERGY: 4904400 720.5279 2108.9267 1917.7249 112.2464 -206447.2869 17754.6388 0.0000 0.0000 34243.8161 -149589.4062 299.0598 -183833.2223 -149492.7871 298.6602 -27.1103 7.2662 557234.3399 -7.3057 -7.4632 PRESSURE: 4904600 -151.042 -31.8162 0.114852 -31.8174 -206.63 69.6789 0.115753 69.6798 -48.7897 GPRESSURE: 4904600 -106.06 -19.9403 -5.94403 -59.1938 -146.447 -6.09063 51.9532 134.771 -51.9574 PRESSAVG: 4904600 -13.4701 -33.8159 -3.28065 -33.816 75.8243 44.4531 -3.28059 44.4533 -74.5323 GPRESSAVG: 4904600 -11.8855 -33.419 -1.41676 -35.8275 75.2983 45.2612 -4.55771 43.4442 -75.2277 TIMING: 4904600 CPU: 14724.5, 0.00299498/step Wall: 14724.5, 0.00299498/step, 0.079367 hours remaining, 209.238281 MB of memory in use. ENERGY: 4904600 739.5026 2122.8996 1917.9078 103.4310 -206583.9482 17752.4650 0.0000 0.0000 34396.9339 -149550.8082 300.3970 -183947.7422 -149449.2264 298.6075 -135.4872 -101.4883 556477.0484 -4.0593 -3.9383 PRESSURE: 4904800 -163.855 133.681 79.8715 133.68 24.0487 91.3157 79.8721 91.3173 -20.4481 GPRESSURE: 4904800 -143.752 114.085 33.6093 146.29 75.0552 37.1437 101.316 95.2181 14.2802 PRESSAVG: 4904800 6.09808 29.8727 0.778276 29.8727 -3.94903 25.9338 0.778218 25.9339 11.9722 GPRESSAVG: 4904800 5.23202 30.601 0.849891 32.4126 -4.67867 25.5379 0.410901 26.3318 12.6934 TIMING: 4904800 CPU: 14725.1, 0.00298249/step Wall: 14725.1, 0.00298249/step, 0.0788702 hours remaining, 209.238281 MB of memory in use. ENERGY: 4904800 758.8141 2105.1238 1902.1893 106.1724 -206646.1826 17776.3917 0.0000 0.0000 34379.3928 -149618.0985 300.2438 -183997.4913 -149521.6162 298.7030 -53.4181 -18.1388 556327.5901 4.7071 4.4156 PRESSURE: 4905000 113.464 -100.414 22.4714 -100.412 96.3837 -25.7299 22.4702 -25.731 -90.6351 GPRESSURE: 4905000 196.308 -5.59372 31.3507 -103.364 110.029 -28.0692 55.1065 0.260987 -90.9289 PRESSAVG: 4905000 37.2133 60.642 -14.7161 60.6421 -4.02644 12.0314 -14.7162 12.0314 -17.2588 GPRESSAVG: 4905000 37.1676 61.497 -15.411 58.7141 -2.60112 9.39358 -12.4089 12.9287 -18.6181 TIMING: 4905000 CPU: 14725.7, 0.00296179/step Wall: 14725.7, 0.00296179/step, 0.0781583 hours remaining, 209.441406 MB of memory in use. ENERGY: 4905000 719.0025 2041.0877 1922.8845 104.4333 -206665.7640 17994.6877 0.0000 0.0000 34312.0085 -149571.6597 299.6553 -183883.6682 -149473.6556 298.6342 39.7374 71.8030 557030.2110 5.3093 5.3161 PRESSURE: 4905200 24.4599 -3.68901 70.0608 -3.68909 212.993 -244.299 70.0617 -244.299 -31.9718 GPRESSURE: 4905200 60.7892 -14.4681 86.057 27.857 255.894 -182.425 55.9785 -224.883 -8.84772 PRESSAVG: 4905200 -56.0041 27.1208 10.2757 27.1206 -12.2044 4.16898 10.2757 4.16908 5.35293 GPRESSAVG: 4905200 -55.1829 27.6851 11.2966 26.8458 -13.3276 5.84059 10.4073 4.47491 6.45573 TIMING: 4905200 CPU: 14726.3, 0.00295838/step Wall: 14726.3, 0.00295838/step, 0.0779041 hours remaining, 209.441406 MB of memory in use. ENERGY: 4905200 747.5409 2112.9074 1910.0585 123.6976 -206678.2889 18086.5697 0.0000 0.0000 34241.8255 -149455.6893 299.0424 -183697.5148 -149359.3175 298.6987 68.4936 102.6118 557843.4742 -20.9519 -20.6849 PRESSURE: 4905400 234.36 48.4732 117.746 48.4732 129.098 -22.5239 117.745 -22.5251 210.753 GPRESSURE: 4905400 256.86 52.5728 164.796 43.8835 214.694 -54.6279 235.699 -50.5987 198.49 PRESSAVG: 4905400 24.4901 1.28544 -42.2326 1.28552 -11.1915 -69.462 -42.2325 -69.4619 -25.348 GPRESSAVG: 4905400 23.362 -0.391894 -42.9924 2.85994 -9.61988 -70.3131 -41.54 -68.7335 -25.8039 TIMING: 4905400 CPU: 14726.9, 0.00294678/step Wall: 14726.9, 0.00294678/step, 0.077435 hours remaining, 209.441406 MB of memory in use. ENERGY: 4905400 744.1223 2121.8615 1911.2054 119.5008 -206568.2214 18082.9402 0.0000 0.0000 34062.4506 -149526.1406 297.4759 -183588.5911 -149430.5574 298.2156 191.4037 223.3481 557991.0250 -4.0165 -4.0206 PRESSURE: 4905600 -109.36 -53.0945 73.6296 -53.0937 64.3619 2.29439 73.6287 2.29527 -74.5844 GPRESSURE: 4905600 -47.2207 -173.694 53.9517 -46.5554 42.6453 -44.0114 106.356 -3.5151 -20.2339 PRESSAVG: 4905600 9.24762 -7.53395 -2.35774 -7.53397 -40.9557 -18.6349 -2.35776 -18.6349 30.5462 GPRESSAVG: 4905600 9.77634 -5.93981 -2.03755 -10.0156 -43.129 -18.3363 -2.8661 -18.3125 32.3177 TIMING: 4905600 CPU: 14727.5, 0.00296433/step Wall: 14727.5, 0.00296433/step, 0.0777312 hours remaining, 209.441406 MB of memory in use. ENERGY: 4905600 772.9367 2062.3517 1956.2656 111.9582 -206639.8637 18024.1139 0.0000 0.0000 34146.4137 -149565.8240 298.2091 -183712.2377 -149472.2819 298.8790 -39.8608 -8.2698 557844.3531 -0.3873 -0.3450 PRESSURE: 4905800 193.819 34.0415 2.91475 34.0402 -106.929 74.4534 2.91322 74.453 4.18102 GPRESSURE: 4905800 188.311 36.5009 14.4984 -22.5044 -80.2219 155.665 24.1865 54.873 78.5575 PRESSAVG: 4905800 3.28362 -32.6847 62.9834 -32.6847 -26.0894 26.9794 62.9833 26.9794 58.1868 GPRESSAVG: 4905800 4.09816 -36.3738 62.8498 -30.3982 -25.6151 25.9234 62.2119 27.6117 56.9296 TIMING: 4905800 CPU: 14728.1, 0.00301176/step Wall: 14728.1, 0.00301176/step, 0.0788077 hours remaining, 209.644531 MB of memory in use. ENERGY: 4905800 799.2429 2057.5125 1969.2881 115.9160 -206613.0071 17901.1550 0.0000 0.0000 34308.7504 -149461.1423 299.6269 -183769.8927 -149363.9441 299.1675 30.3572 62.2156 556617.5898 11.7937 11.8042 PRESSURE: 4906000 -78.303 -5.85836 18.0237 -5.85849 -205.206 14.335 18.0239 14.335 -182.16 GPRESSURE: 4906000 -59.8703 -8.40408 -56.0172 -36.2133 -141.848 17.2623 59.775 -43.4102 -157.908 PRESSAVG: 4906000 -2.52038 -29.9515 -24.8654 -29.9515 -61.882 2.4613 -24.8654 2.46133 29.4682 GPRESSAVG: 4906000 -2.80491 -28.5958 -23.0742 -31.4285 -61.6659 3.54569 -24.3925 1.8398 29.3524 TIMING: 4906000 CPU: 14728.7, 0.00298699/step Wall: 14728.7, 0.00298699/step, 0.0779935 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: 4906000 792.7161 2101.9413 1941.4759 119.4632 -206223.1593 17718.3666 0.0000 0.0000 34033.8376 -149515.3585 297.2260 -183549.1961 -149415.3859 298.5210 -155.2231 -119.8753 557152.1120 -11.6447 -11.7061 PRESSURE: 4906200 -144.912 -70.6055 139.048 -70.6038 203.402 -195.849 139.048 -195.848 138.954 GPRESSURE: 4906200 -135.038 -45.9102 121.169 -6.33312 248.775 -170.158 52.3479 -116.276 169.102 PRESSAVG: 4906200 -56.5923 28.9196 -5.24127 28.9197 11.9248 4.70637 -5.24129 4.7063 35.5976 GPRESSAVG: 4906200 -55.9274 30.4359 -7.34843 28.1423 11.4973 2.70002 -5.89341 6.44437 35.6796 TIMING: 4906200 CPU: 14729.3, 0.00299395/step Wall: 14729.3, 0.00299395/step, 0.078009 hours remaining, 209.644531 MB of memory in use. ENERGY: 4906200 724.4793 2028.5193 1939.3201 119.7725 -206515.6234 17960.4365 0.0000 0.0000 34181.8560 -149561.2397 298.5186 -183743.0957 -149469.6950 298.2779 65.8146 94.2797 557293.9562 -3.0233 -2.9168 PRESSURE: 4906400 -144.342 -2.99913 -87.888 -2.99945 -202.42 61.1474 -87.8878 61.1473 29.2163 GPRESSURE: 4906400 -89.6562 -38.9672 -57.5925 38.9343 -178.946 62.8874 -120.425 207.735 50.0718 PRESSAVG: 4906400 -62.9295 67.6189 30.6579 67.6189 22.5023 8.32992 30.6579 8.32988 54.9863 GPRESSAVG: 4906400 -62.0612 66.5495 30.1217 68.081 22.3032 9.43755 32.0201 7.33058 54.4726 TIMING: 4906400 CPU: 14729.9, 0.00299333/step Wall: 14729.9, 0.00299333/step, 0.0778267 hours remaining, 209.644531 MB of memory in use. ENERGY: 4906400 759.4297 2064.3692 1941.5965 111.0529 -206097.4343 17672.5261 0.0000 0.0000 34098.1741 -149450.2857 297.7878 -183548.4598 -149347.9665 299.2108 -105.8485 -72.8434 556242.7182 4.8531 4.9049 PRESSURE: 4906600 -120.587 -8.07943 -108.499 -8.08009 23.9691 4.64738 -108.499 4.64787 -154.391 GPRESSURE: 4906600 -117.363 63.2261 -153.542 -66.0133 80.3613 18.4056 -108.76 -10.4104 -111.566 PRESSAVG: 4906600 -43.833 16.6248 -3.35301 16.6248 13.3951 -16.4721 -3.35309 -16.4721 -28.5139 GPRESSAVG: 4906600 -45.9969 16.2519 -3.03055 16.6784 14.7453 -16.3103 -5.12913 -17.5643 -27.3744 TIMING: 4906600 CPU: 14730.5, 0.0030023/step Wall: 14730.5, 0.0030023/step, 0.0778929 hours remaining, 209.644531 MB of memory in use. ENERGY: 4906600 739.0482 2041.5094 1939.6268 124.7478 -206232.8378 17693.9739 0.0000 0.0000 34315.3659 -149378.5658 299.6846 -183693.9316 -149280.6939 298.3823 -83.6695 -49.5225 557010.0697 -19.6506 -19.5420 PRESSURE: 4906800 -62.5459 71.5681 26.1688 71.5691 -5.73352 -29.7508 26.1681 -29.7515 -262.988 GPRESSURE: 4906800 -13.0667 170.515 65.9417 102.051 27.5687 -80.9447 43.8851 -21.6755 -240.616 PRESSAVG: 4906800 -7.37208 24.3674 14.7728 24.3673 24.4336 -13.5224 14.7728 -13.5224 18.9937 GPRESSAVG: 4906800 -5.92144 23.0995 14.967 23.9749 23.7936 -11.9289 14.8999 -14.1336 18.2162 TIMING: 4906800 CPU: 14731.1, 0.00300153/step Wall: 14731.1, 0.00300153/step, 0.0777063 hours remaining, 209.644531 MB of memory in use. ENERGY: 4906800 750.0523 2119.3816 1965.0436 120.3206 -205976.2175 17533.3281 0.0000 0.0000 34295.7003 -149192.3909 299.5129 -183488.0913 -149095.4813 299.3442 -110.4226 -75.3714 556686.5174 12.0184 12.0295 PRESSURE: 4907000 -146.48 -102.246 132.252 -102.245 -442.382 8.04766 132.251 8.04846 -133.159 GPRESSURE: 4907000 -171.936 -69.189 110.173 -49.7854 -380.172 25.4152 133.342 -28.5191 -74.1587 PRESSAVG: 4907000 -11.993 0.811336 48.7883 0.811379 7.09153 -25.0205 48.7882 -25.0205 1.55863 GPRESSAVG: 4907000 -11.8272 2.49232 49.6193 1.10915 5.9327 -29.1599 49.224 -22.3928 2.55712 TIMING: 4907000 CPU: 14731.7, 0.00297672/step Wall: 14731.7, 0.00297672/step, 0.0768985 hours remaining, 209.644531 MB of memory in use. ENERGY: 4907000 738.2504 2044.0311 1919.8760 115.5566 -205595.4916 17386.5053 0.0000 0.0000 34325.3138 -149065.9584 299.7715 -183391.2721 -148968.3926 300.0131 -240.6736 -208.7557 558354.5418 -1.1143 -1.1125 PRESSURE: 4907200 -16.0385 -39.7999 97.065 -39.8001 -132.983 -65.9843 97.0661 -65.9839 -260.503 GPRESSURE: 4907200 21.3096 -38.849 50.0073 32.2366 -122.007 -11.1247 128.81 -79.2424 -208.869 PRESSAVG: 4907200 -44.5136 -4.46603 52.9572 -4.46597 -16.1921 0.353987 52.9573 0.354062 55.5583 GPRESSAVG: 4907200 -45.2381 -3.16961 52.5965 -5.78113 -15.5215 1.54221 54.8048 -0.569548 55.4786 TIMING: 4907200 CPU: 14732.3, 0.00298847/step Wall: 14732.3, 0.00298847/step, 0.0770361 hours remaining, 209.644531 MB of memory in use. ENERGY: 4907200 763.4885 2080.2679 1972.5897 112.7413 -205958.3320 17660.2021 0.0000 0.0000 34368.8838 -149000.1587 300.1520 -183369.0425 -148900.0506 299.9411 -136.5082 -103.1889 557284.5387 -1.7158 -1.7603 PRESSURE: 4907400 -543.305 20.4327 -72.1877 20.4327 101.344 90.1621 -72.1873 90.1621 -57.4349 GPRESSURE: 4907400 -520.693 67.8737 -99.9896 -89.6052 136.189 93.3071 -156.476 10.2478 -24.3413 PRESSAVG: 4907400 -4.13827 -39.046 34.6232 -39.046 22.9089 24.4205 34.6233 24.4203 1.30882 GPRESSAVG: 4907400 -5.27839 -41.7466 33.7924 -38.6594 23.1168 26.1291 33.4451 23.8633 2.18811 TIMING: 4907400 CPU: 14732.9, 0.00298099/step Wall: 14732.9, 0.00298099/step, 0.0766777 hours remaining, 209.644531 MB of memory in use. ENERGY: 4907400 739.0955 2106.3897 1964.9632 121.7522 -205764.6268 17469.2748 0.0000 0.0000 34332.2600 -149030.8914 299.8322 -183363.1514 -148938.8750 300.5106 -166.4653 -136.2819 557920.5478 6.6932 6.6755 PRESSURE: 4907600 -89.7435 52.6787 -14.2313 52.6798 -174.879 -41.6847 -14.2311 -41.6857 -313.661 GPRESSURE: 4907600 -92.8382 -79.8607 60.5266 -22.5725 -148.455 -29.722 -138.64 -47.4908 -241.603 PRESSAVG: 4907600 -2.62782 42.5134 58.8777 42.5134 2.98719 -40.5585 58.8777 -40.5584 12.7319 GPRESSAVG: 4907600 -1.68158 42.3981 58.591 43.8688 3.30346 -41.7575 58.9427 -40.5407 12.0711 TIMING: 4907600 CPU: 14733.5, 0.00299565/step Wall: 14733.5, 0.00299565/step, 0.0768883 hours remaining, 209.644531 MB of memory in use. ENERGY: 4907600 738.3112 2087.5075 1927.6891 108.4209 -205672.3746 17495.1644 0.0000 0.0000 34243.5666 -149071.7148 299.0576 -183315.2814 -148977.7634 299.9546 -192.7612 -160.9655 558458.3223 4.3638 4.5643 PRESSURE: 4907800 14.681 -21.1546 95.5243 -21.155 -67.5104 48.3646 95.5244 48.3654 89.6894 GPRESSURE: 4907800 108.631 17.6628 25.9206 -27.4515 -41.1437 57.2142 89.5948 95.0896 66.5281 PRESSAVG: 4907800 37.8086 -16.1172 -5.38892 -16.1172 -62.6658 -41.1988 -5.38895 -41.1989 -5.57429 GPRESSAVG: 4907800 38.7737 -16.1785 -2.7139 -17.2327 -62.6536 -38.0317 -5.76946 -42.9359 -6.55752 TIMING: 4907800 CPU: 14734.1, 0.00300753/step Wall: 14734.1, 0.00300753/step, 0.0770262 hours remaining, 209.644531 MB of memory in use. ENERGY: 4907800 708.8227 2145.7029 1949.4917 115.0047 -206061.0544 17678.1331 0.0000 0.0000 34141.3641 -149322.5352 298.1650 -183463.8994 -149240.5510 299.8347 12.2866 44.6719 557720.3649 -10.1438 -10.1458 PRESSURE: 4908000 158.393 27.2517 -131.16 27.2519 88.885 -64.02 -131.159 -64.019 124.633 GPRESSURE: 4908000 183.213 -29.4932 -137.501 42.1227 129.067 -83.1899 -163.785 -76.1475 154.61 PRESSAVG: 4908000 -4.09491 -2.5671 -13.6516 -2.56704 6.64179 -21.0179 -13.6515 -21.0178 17.8464 GPRESSAVG: 4908000 -4.68718 -2.66763 -14.4479 -0.749393 6.9328 -23.1108 -14.1363 -20.7365 18.3432 TIMING: 4908000 CPU: 14734.7, 0.00297481/step Wall: 14734.7, 0.00297481/step, 0.076023 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: 4908000 711.0090 2090.0441 1924.7092 116.3505 -206451.6129 17927.2388 0.0000 0.0000 34418.2334 -149264.0279 300.5830 -183682.2613 -149165.7164 299.2009 123.9704 155.6300 557829.6088 6.7977 6.8629 PRESSURE: 4908200 67.3833 -12.4002 241.151 -12.4 17.3185 -127.035 241.151 -127.034 21.7541 GPRESSURE: 4908200 52.332 -105.724 196.433 -26.5547 36.0218 -154.352 201.785 -114.325 106.007 PRESSAVG: 4908200 -43.5576 -29.3067 -25.0866 -29.3066 35.128 -22.1734 -25.0865 -22.1734 37.9676 GPRESSAVG: 4908200 -43.2462 -27.8258 -27.4143 -31.0454 34.4446 -24.7269 -23.7234 -22.0991 38.4045 TIMING: 4908200 CPU: 14735.3, 0.00296163/step Wall: 14735.3, 0.00296163/step, 0.0755215 hours remaining, 209.644531 MB of memory in use. ENERGY: 4908200 740.1186 2103.1733 1933.7787 114.2653 -206032.1311 17752.2668 0.0000 0.0000 34225.8461 -149162.6822 298.9028 -183388.5283 -149067.8610 299.0018 35.4853 64.7869 558075.0829 9.8460 9.8676 LDB: ============= START OF LOAD BALANCING ============== 14738.8 LDB: ============== END OF LOAD BALANCING =============== 14738.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14738.8 LDB: ============= START OF LOAD BALANCING ============== 14739.1 LDB: Largest compute 4773 load 0.025515 is 21.6% of average load 0.118269 LDB: Average compute 0.001720 is 1.5% of average load 0.118269 LDB: TIME 14739.1 LOAD: AVG 0.118269 MAX 0.214656 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.234 MB LDB: TIME 14739.1 LOAD: AVG 0.118269 MAX 0.214656 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.438 MB LDB: TIME 14739.1 LOAD: AVG 0.118269 MAX 0.214656 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.438 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14739.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14739.1 PRESSURE: 4908400 -63.0687 -122.49 -126.392 -122.489 177.321 -200.774 -126.39 -200.775 -33.8832 GPRESSURE: 4908400 -33.3026 -58.9223 -153.201 -65.575 169.478 -183.356 -151.481 -152.597 48.4528 PRESSAVG: 4908400 -14.7204 50.6132 39.4552 50.6133 -42.2883 -22.7341 39.4551 -22.7341 26.1938 GPRESSAVG: 4908400 -15.2998 50.518 41.0987 51.5137 -42.5419 -22.5299 40.5101 -21.6015 26.7247 TIMING: 4908400 CPU: 14735.9, 0.00304436/step Wall: 14735.9, 0.00304436/step, 0.0774622 hours remaining, 209.117188 MB of memory in use. ENERGY: 4908400 763.8760 2074.8289 1955.4803 119.9440 -206154.5092 17897.7759 0.0000 0.0000 34357.4015 -148985.2027 300.0517 -183342.6042 -148896.0091 300.1073 26.7897 61.5428 559205.3428 -10.2716 -10.3723 PRESSURE: 4908600 -72.956 -1.23209 -122.508 -1.2327 -140.574 144.164 -122.509 144.164 -380.163 GPRESSURE: 4908600 -79.4676 -67.4749 -4.49345 6.13939 -60.069 154.897 -117.541 97.7746 -355.705 PRESSAVG: 4908600 -42.4073 -26.625 -24.6062 -26.6249 -18.8758 0.229267 -24.6061 0.229288 47.3221 GPRESSAVG: 4908600 -41.9714 -28.2507 -24.6226 -26.3759 -18.6599 2.50898 -24.3275 0.3907 46.891 TIMING: 4908600 CPU: 14736.5, 0.00298515/step Wall: 14736.5, 0.00298515/step, 0.0757896 hours remaining, 209.117188 MB of memory in use. ENERGY: 4908600 738.1993 2102.3899 1957.6490 119.6803 -205472.1524 17357.6461 0.0000 0.0000 34111.4176 -149085.1703 297.9035 -183196.5879 -148983.0327 299.3142 -197.8979 -165.0804 559200.0091 -4.6536 -4.5801 PRESSURE: 4908800 103.346 -175.592 112.73 -175.593 -188.072 -12.8255 112.73 -12.8257 -140.56 GPRESSURE: 4908800 158.466 -182.49 127.519 -124.327 -105.69 -82.7402 65.9784 -6.70257 -183.358 PRESSAVG: 4908800 -27.8796 -26.3655 3.94434 -26.3656 33.8785 40.1682 3.94431 40.1681 17.3991 GPRESSAVG: 4908800 -27.3276 -25.8981 2.9868 -25.801 34.6232 38.7867 3.88213 40.3456 16.5773 TIMING: 4908800 CPU: 14737.1, 0.00298068/step Wall: 14737.1, 0.00298068/step, 0.0755105 hours remaining, 209.117188 MB of memory in use. ENERGY: 4908800 745.1275 2076.3551 1951.2958 118.0104 -205839.6955 17669.3042 0.0000 0.0000 34458.0413 -148821.5613 300.9306 -183279.6026 -148726.8791 299.5600 -75.0953 -43.5274 557256.1981 7.7993 7.9576 PRESSURE: 4909000 -17.1983 -25.9161 -22.9954 -25.9156 -95.4053 155.258 -22.9963 155.258 -186.533 GPRESSURE: 4909000 57.3681 -41.1715 -25.6539 -21.8855 -82.5866 116.63 19.5142 223.202 -163.791 PRESSAVG: 4909000 62.3036 0.959368 0.390471 0.95939 -36.7488 26.5781 0.390584 26.578 -6.09158 GPRESSAVG: 4909000 61.9872 1.43196 0.774597 0.742123 -36.9324 27.3229 -1.03779 25.2136 -5.2636 TIMING: 4909000 CPU: 14737.7, 0.00299994/step Wall: 14737.7, 0.00299994/step, 0.0758319 hours remaining, 209.117188 MB of memory in use. ENERGY: 4909000 759.3902 2105.5888 1941.6889 112.3008 -205725.7089 17644.0282 0.0000 0.0000 34252.0580 -148910.6540 299.1317 -183162.7120 -148814.2768 300.6422 -99.7123 -63.0031 558064.3683 6.4877 6.5971 PRESSURE: 4909200 -124.611 133.787 16.0178 133.787 -132.718 189.904 16.0178 189.906 -76.3647 GPRESSURE: 4909200 -106.275 149.022 105.126 96.2445 -102.797 305.268 -56.9061 131.736 -48.965 PRESSAVG: 4909200 20.5001 21.6128 -13.9559 21.6129 30.2554 14.0496 -13.9559 14.0496 10.7018 GPRESSAVG: 4909200 21.3109 22.3535 -14.4308 21.5434 29.6618 13.6025 -12.7738 15.2043 10.2272 TIMING: 4909200 CPU: 14738.3, 0.00297541/step Wall: 14738.3, 0.00297541/step, 0.0750466 hours remaining, 209.117188 MB of memory in use. ENERGY: 4909200 759.5531 2113.4910 1929.2809 113.0995 -205918.6633 17633.1223 0.0000 0.0000 34503.1417 -148866.9747 301.3245 -183370.1164 -148771.8133 300.0754 -111.2311 -86.0125 558105.2586 20.4858 20.4000 PRESSURE: 4909400 -30.4684 86.8725 -58.6665 86.8728 206.052 -18.0966 -58.6661 -18.0985 -190.591 GPRESSURE: 4909400 8.11239 111.621 -58.3249 70.8051 199.346 84.0893 -40.178 -113.755 -126.797 PRESSAVG: 4909400 0.0426745 -4.5916 -2.70221 -4.59161 15.8413 44.6765 -2.70213 44.6766 -25.0977 GPRESSAVG: 4909400 -1.57054 -6.0529 -3.08019 -4.05447 16.9995 47.0794 -3.26297 44.1391 -25.1629 TIMING: 4909400 CPU: 14738.9, 0.00298638/step Wall: 14738.9, 0.00298638/step, 0.0751573 hours remaining, 209.117188 MB of memory in use. ENERGY: 4909400 735.5478 2120.8660 1945.6363 98.2619 -205934.6045 17662.9728 0.0000 0.0000 34351.5173 -149019.8024 300.0003 -183371.3197 -148922.0502 299.8315 -5.0026 26.8871 558997.2523 -3.0713 -3.2447 PRESSURE: 4909600 148.221 12.2626 -76.5593 12.2636 94.688 40.9608 -76.56 40.9602 -47.0899 GPRESSURE: 4909600 170.285 43.9978 -127.905 26.0561 124.956 48.6576 -58.6993 66.8656 4.07347 PRESSAVG: 4909600 1.84376 77.2539 -39.4971 77.2539 37.243 17.9011 -39.497 17.901 -22.0071 GPRESSAVG: 4909600 1.91172 78.51 -38.7043 73.9893 36.3105 16.275 -41.0935 17.2294 -21.0784 TIMING: 4909600 CPU: 14739.5, 0.00298347/step Wall: 14739.5, 0.00298347/step, 0.0749181 hours remaining, 209.183594 MB of memory in use. ENERGY: 4909600 750.2376 2108.0986 1962.7881 121.0741 -206038.9158 17736.4997 0.0000 0.0000 34185.0035 -149175.2143 298.5461 -183360.2178 -149086.7039 299.5533 65.2731 99.7715 557608.2558 5.6932 5.7146 PRESSURE: 4909800 -125.667 -17.6331 77.8286 -17.636 -123.16 -97.469 77.8289 -97.4679 16.2616 GPRESSURE: 4909800 -121.485 29.5511 127.402 0.403638 -70.6399 -72.2008 91.2539 -52.1858 55.4632 PRESSAVG: 4909800 -38.7975 36.1073 -51.6227 36.1071 11.0564 7.65489 -51.6227 7.65502 54.5691 GPRESSAVG: 4909800 -38.8208 34.9388 -52.9025 37.0336 11.9266 6.40569 -50.6277 8.91228 53.5121 TIMING: 4909800 CPU: 14740.1, 0.00298133/step Wall: 14740.1, 0.00298133/step, 0.0746988 hours remaining, 209.183594 MB of memory in use. ENERGY: 4909800 784.2619 2110.8451 1919.3816 114.7656 -206549.3698 17984.9604 0.0000 0.0000 34504.7190 -149130.4363 301.3383 -183635.1553 -149033.6930 300.0795 -77.5217 -45.5538 559054.3606 8.9427 8.8726 PRESSURE: 4910000 138.003 -98.2734 -6.26096 -98.2728 1.65038 -57.6998 -6.26081 -57.7016 61.2326 GPRESSURE: 4910000 105.346 -37.455 42.6657 -53.8006 49.5942 -31.8023 -80.2327 -126.247 137.559 PRESSAVG: 4910000 -93.1262 -10.9852 32.2087 -10.9852 19.1 23.7764 32.2087 23.7764 39.4446 GPRESSAVG: 4910000 -93.3691 -11.2598 32.9738 -8.76138 18.8934 26.2158 31.3192 22.5166 40.0884 TIMING: 4910000 CPU: 14740.7, 0.00295709/step Wall: 14740.7, 0.00295709/step, 0.0739273 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: 4910000 772.7389 2141.6297 1932.7434 106.4246 -206444.3362 18168.3746 0.0000 0.0000 34045.8525 -149276.5725 297.3309 -183322.4249 -149174.7532 299.5526 66.9621 97.4997 558790.5970 -11.5272 -11.4624 PRESSURE: 4910200 -209.964 74.5294 105.568 74.5294 -268.847 -25.2019 105.567 -25.2014 -30.9403 GPRESSURE: 4910200 -167.826 75.3701 52.1257 20.5426 -191.752 -43.6629 98.5687 3.42943 -34.1241 PRESSAVG: 4910200 -29.8742 27.4543 6.52631 27.4543 -10.0242 24.7241 6.52629 24.724 24.2946 GPRESSAVG: 4910200 -29.1621 28.222 7.94425 26.9758 -9.61348 21.5221 6.47862 26.9367 23.6627 TIMING: 4910200 CPU: 14741.3, 0.00296685/step Wall: 14741.3, 0.00296685/step, 0.0740064 hours remaining, 209.183594 MB of memory in use. ENERGY: 4910200 754.4770 2110.5247 1949.1145 108.6584 -206097.8526 17530.7501 0.0000 0.0000 34422.6078 -149221.7201 300.6212 -183644.3279 -149129.0447 299.1543 -169.9172 -131.2340 558844.7811 -5.2013 -5.0376 PRESSURE: 4910400 -136.237 -16.162 111.522 -16.1627 -31.4054 68.579 111.523 68.5783 -128.459 GPRESSURE: 4910400 -70.487 -57.5158 64.5645 -81.0466 0.828109 -45.235 107.195 82.9257 -128.192 PRESSAVG: 4910400 -94.5226 -36.1462 29.1585 -36.1463 90.4249 30.1628 29.1585 30.1629 40.5051 GPRESSAVG: 4910400 -94.6322 -36.6801 27.4798 -36.6846 90.8898 31.146 30.6184 29.0328 40.4337 TIMING: 4910400 CPU: 14741.9, 0.0029888/step Wall: 14741.9, 0.0029888/step, 0.0743878 hours remaining, 209.183594 MB of memory in use. ENERGY: 4910400 750.8351 2143.3433 1981.4794 129.0710 -205997.0843 17534.0887 0.0000 0.0000 34245.9131 -149212.3537 299.0781 -183458.2668 -149106.5905 299.5806 -98.7006 -65.9504 556636.9108 12.1358 12.2305 PRESSURE: 4910600 -37.6161 41.1039 -31.9693 41.1056 39.0163 -25.3651 -31.9692 -25.3662 -134.693 GPRESSURE: 4910600 -35.5098 51.1843 7.80495 3.12385 56.1097 -114.801 -25.6193 -7.81236 -57.2902 PRESSAVG: 4910600 -11.1745 -36.1407 34.9067 -36.1407 51.5377 -32.502 34.9066 -32.502 -33.9047 GPRESSAVG: 4910600 -9.80444 -34.5785 36.0455 -35.9212 49.6404 -30.9837 32.3473 -33.7843 -33.1296 TIMING: 4910600 CPU: 14742.5, 0.00302408/step Wall: 14742.5, 0.00302408/step, 0.0750979 hours remaining, 209.386719 MB of memory in use. ENERGY: 4910600 776.9176 2121.4138 1946.7740 110.9180 -206095.2341 17798.2432 0.0000 0.0000 34072.7049 -149268.2626 297.5654 -183340.9674 -149176.0445 299.1618 -44.4309 -12.2301 557367.6362 2.1528 2.2354 PRESSURE: 4910800 -118.994 -50.0336 -166.519 -50.0332 -1.02438 -13.3486 -166.518 -13.3509 -83.2357 GPRESSURE: 4910800 -27.5691 -56.5181 -161.956 -79.9085 16.3985 84.3493 -213.145 -5.29983 -94.0062 PRESSAVG: 4910800 -65.7632 -20.993 21.3944 -20.993 17.7202 5.6418 21.3945 5.64192 51.2012 GPRESSAVG: 4910800 -66.4739 -23.2362 21.0885 -21.8132 18.6342 5.96446 25.0577 6.63127 51.2182 TIMING: 4910800 CPU: 14743.1, 0.00300856/step Wall: 14743.1, 0.00300856/step, 0.0745454 hours remaining, 209.386719 MB of memory in use. ENERGY: 4910800 722.4855 2097.7915 1926.4465 112.2181 -205813.7489 17535.4598 0.0000 0.0000 34062.2135 -149357.1340 297.4738 -183419.3475 -149266.3721 298.9989 -67.7514 -35.0589 558970.1306 1.0527 1.1262 PRESSURE: 4911000 -139.105 63.0433 -63.6233 63.0442 -96.327 195.119 -63.6226 195.119 -0.058071 GPRESSURE: 4911000 -96.9652 146.93 -77.8878 -12.9889 -40.7416 192.132 -58.6145 223.69 0.56588 PRESSAVG: 4911000 6.34744 -48.1765 -49.3555 -48.1764 16.4983 34.5395 -49.3554 34.5395 -42.2017 GPRESSAVG: 4911000 6.17939 -47.309 -49.9897 -49.342 16.9749 37.1484 -51.1211 35.0179 -42.7502 TIMING: 4911000 CPU: 14743.7, 0.00301034/step Wall: 14743.7, 0.00301034/step, 0.0744223 hours remaining, 209.386719 MB of memory in use. ENERGY: 4911000 766.3398 2150.2723 1938.7747 124.5227 -206519.6930 17847.4518 0.0000 0.0000 34084.0621 -149608.2696 297.6646 -183692.3317 -149512.4719 298.7631 -78.4965 -45.7137 558206.3753 -6.4520 -6.5320 PRESSURE: 4911200 -136.01 59.502 127.258 59.5022 -291.799 113.041 127.258 113.041 -281.308 GPRESSURE: 4911200 -100.09 15.6171 113.051 60.9692 -268.711 79.9669 222.709 169.693 -236.551 PRESSAVG: 4911200 -16.4699 -3.38633 3.76905 -3.38642 41.4389 25.9734 3.76902 25.9734 -20.582 GPRESSAVG: 4911200 -17.3512 -4.46759 4.31633 -2.11293 40.7385 23.5803 3.41519 23.7243 -19.146 TIMING: 4911200 CPU: 14744.3, 0.00296605/step Wall: 14744.3, 0.00296605/step, 0.0731627 hours remaining, 209.386719 MB of memory in use. ENERGY: 4911200 697.7730 2125.1452 1937.1912 118.8808 -206226.0369 17556.0261 0.0000 0.0000 34107.1065 -149683.9141 297.8658 -183791.0207 -149590.5471 297.5287 -236.3725 -201.7844 557546.5130 1.4623 1.4137 PRESSURE: 4911400 -95.0037 -8.4318 -15.2171 -8.43248 14.6442 40.1807 -15.2169 40.1805 -192.824 GPRESSURE: 4911400 -42.044 -0.851857 -72.9516 -10.5112 3.07721 22.5047 -26.3298 97.638 -136.77 PRESSAVG: 4911400 -14.5073 -14.72 -28.4458 -14.7199 20.629 39.6349 -28.4458 39.6349 31.0649 GPRESSAVG: 4911400 -14.33 -15.1586 -27.5426 -15.4245 20.3496 38.7024 -30.3093 42.7339 30.6942 TIMING: 4911400 CPU: 14744.8, 0.00297475/step Wall: 14744.8, 0.00297475/step, 0.073212 hours remaining, 209.386719 MB of memory in use. ENERGY: 4911400 755.0719 2089.9383 1925.0739 104.2764 -206285.1829 17665.5090 0.0000 0.0000 34086.4866 -149658.8268 297.6858 -183745.3134 -149558.7449 297.8579 -91.0613 -58.5789 557608.0844 12.3956 12.2379 PRESSURE: 4911600 -166.823 -35.0142 79.0229 -35.0146 -0.961277 -159.338 79.0231 -159.338 27.8799 GPRESSURE: 4911600 -168.79 -8.87469 71.6317 -111.006 32.3311 -195.584 65.7435 -61.9503 95.644 PRESSAVG: 4911600 45.446 -39.1768 84.219 -39.1768 -15.9747 15.3073 84.219 15.3072 -1.76802 GPRESSAVG: 4911600 47.619 -38.9112 81.8517 -36.9689 -17.0407 14.6042 85.8289 14.2063 -2.17333 TIMING: 4911600 CPU: 14745.4, 0.00298903/step Wall: 14745.4, 0.00298903/step, 0.0733972 hours remaining, 209.386719 MB of memory in use. ENERGY: 4911600 756.6864 2076.2327 1942.3505 112.2021 -206209.5880 17874.7814 0.0000 0.0000 34114.6148 -149332.7202 297.9314 -183447.3350 -149232.6742 297.9940 -46.6349 -13.6051 558936.5878 9.2344 9.4683 PRESSURE: 4911800 -301.049 -9.79725 179.51 -9.79692 -327.775 -214.085 179.51 -214.086 108.341 GPRESSURE: 4911800 -251.249 -20.1007 192.812 24.2595 -227.234 -158.613 120.559 -271.384 55.8189 PRESSAVG: 4911800 50.2641 14.8483 51.6752 14.8483 -20.0369 -19.8697 51.6752 -19.8697 29.2661 GPRESSAVG: 4911800 48.5922 16.6808 52.4994 13.4584 -17.5551 -19.756 52.2039 -18.7044 28.6027 TIMING: 4911800 CPU: 14746, 0.00296915/step Wall: 14746, 0.00296915/step, 0.0727441 hours remaining, 209.386719 MB of memory in use. ENERGY: 4911800 738.7647 2142.9502 1954.5956 117.5689 -206020.1868 17685.1273 0.0000 0.0000 34078.9802 -149302.2000 297.6202 -183381.1802 -149204.4478 298.8014 -173.4944 -140.8882 560067.4387 19.8311 19.8799 PRESSURE: 4912000 -422.924 -89.5818 105.432 -89.5823 -223.41 -40.2667 105.43 -40.267 11.7109 GPRESSURE: 4912000 -377.561 -69.1402 50.954 -50.1976 -227.146 -76.5592 22.9425 -38.4815 49.1311 PRESSAVG: 4912000 19.9036 -36.0567 16.625 -36.0568 38.3663 -24.2336 16.625 -24.2335 -45.3523 GPRESSAVG: 4912000 20.4587 -39.3952 17.6507 -35.5881 37.0671 -24.1073 15.1658 -26.7709 -44.7169 TIMING: 4912000 CPU: 14746.6, 0.0029634/step Wall: 14746.6, 0.0029634/step, 0.0724387 hours remaining, 209.386719 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: 4912000 755.1428 2109.0997 1945.2683 117.4141 -206017.1375 17531.4210 0.0000 0.0000 34290.9046 -149267.8869 299.4710 -183558.7915 -149176.7783 299.3373 -211.5410 -185.1919 558395.2269 4.3058 4.2696 PRESSURE: 4912200 320.635 -57.4336 164.573 -57.4336 292.356 47.5322 164.573 47.5333 -211.879 GPRESSURE: 4912200 370.797 -125.331 90.4511 -58.0792 243.57 -32.0081 146.688 65.3568 -117.854 PRESSAVG: 4912200 15.7576 -5.03796 -14.7595 -5.03803 -16.3575 18.7611 -14.7596 18.7611 -49.7467 GPRESSAVG: 4912200 14.688 -0.264677 -14.0462 -5.22776 -16.037 19.3379 -15.6894 19.9123 -48.796 TIMING: 4912200 CPU: 14747.2, 0.00298395/step Wall: 14747.2, 0.00298395/step, 0.0727752 hours remaining, 209.386719 MB of memory in use. ENERGY: 4912200 726.6678 2120.3758 1954.8999 115.4228 -206289.0203 18066.2167 0.0000 0.0000 33924.1348 -149381.3026 296.2679 -183305.4374 -149286.0362 298.3687 133.7039 165.5045 558455.9764 -16.7822 -16.7150 LDB: ============= START OF LOAD BALANCING ============== 14750.7 LDB: ============== END OF LOAD BALANCING =============== 14750.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14750.7 LDB: ============= START OF LOAD BALANCING ============== 14751 LDB: Largest compute 4773 load 0.026590 is 22.5% of average load 0.118209 LDB: Average compute 0.001716 is 1.5% of average load 0.118209 LDB: TIME 14751 LOAD: AVG 0.118209 MAX 0.210856 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.957 MB LDB: TIME 14751 LOAD: AVG 0.118209 MAX 0.210856 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.16 MB LDB: TIME 14751 LOAD: AVG 0.118209 MAX 0.210856 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.16 MB LDB: ============== END OF LOAD BALANCING =============== 14751 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14751 PRESSURE: 4912400 5.49554 124.208 -84.3958 124.208 -122.673 -15.3818 -84.3954 -15.3837 -60.7575 GPRESSURE: 4912400 -10.422 132.461 -90.944 70.2924 -62.543 -50.9285 -60.4657 -18.8576 -6.55815 PRESSAVG: 4912400 61.2913 -3.3774 57.4354 -3.37725 -43.3233 9.85119 57.4354 9.85111 -53.8957 GPRESSAVG: 4912400 62.0116 -7.34181 56.4716 -0.527828 -42.1112 9.80782 57.8512 11.2087 -55.8054 TIMING: 4912400 CPU: 14747.8, 0.00302255/step Wall: 14747.8, 0.00302255/step, 0.0735488 hours remaining, 211.867188 MB of memory in use. ENERGY: 4912400 778.1025 2060.1049 1942.3338 111.1649 -206069.8376 17727.8761 0.0000 0.0000 34255.6386 -149194.6169 299.1630 -183450.2554 -149104.8900 298.3945 -59.3116 -26.5077 557148.0274 -11.9759 -11.9684 PRESSURE: 4912600 220.155 -84.1654 31.4828 -84.1649 -124.924 117.452 31.4829 117.452 20.5681 GPRESSURE: 4912600 274.973 10.0902 49.6162 -143.86 -95.4875 38.2407 -4.63987 118.848 39.2604 PRESSAVG: 4912600 26.9584 -1.73995 16.0356 -1.74005 -25.4267 36.8415 16.0355 36.8416 -20.9303 GPRESSAVG: 4912600 27.4962 -0.988789 14.7711 -3.6786 -26.5545 37.0173 17.3688 34.1121 -20.8324 TIMING: 4912600 CPU: 14748.4, 0.00297162/step Wall: 14748.4, 0.00297162/step, 0.0721443 hours remaining, 212.328125 MB of memory in use. ENERGY: 4912600 718.6084 2079.5746 1911.7137 106.1311 -206335.6062 17928.4643 0.0000 0.0000 34410.5922 -149180.5219 300.5163 -183591.1141 -149083.5000 298.7436 38.5995 72.9154 557245.9829 -6.4662 -6.6302 PRESSURE: 4912800 59.8648 42.4993 7.79642 42.4994 130.204 44.5375 7.79514 44.5378 -181.53 GPRESSURE: 4912800 65.8189 -44.6443 -98.4903 3.0734 165.793 34.4982 102.186 106.259 -133.923 PRESSAVG: 4912800 51.4334 -11.0364 -46.3248 -11.0365 -0.724488 12.9274 -46.3249 12.9275 -61.1466 GPRESSAVG: 4912800 50.6051 -10.1172 -48.2738 -12.0939 -1.00395 14.0379 -46.7532 13.7945 -59.8195 TIMING: 4912800 CPU: 14749, 0.00296557/step Wall: 14749, 0.00296557/step, 0.0718328 hours remaining, 212.328125 MB of memory in use. ENERGY: 4912800 735.6651 2110.7340 1910.5670 112.7998 -205955.8924 17830.6330 0.0000 0.0000 34206.5891 -149048.9045 298.7347 -183255.4936 -148959.0636 299.6917 2.8463 32.5630 557449.7946 -3.4792 -3.4061 PRESSURE: 4913000 191.978 -51.5372 147.133 -51.5382 -24.3784 61.3722 147.133 61.3724 237.34 GPRESSURE: 4913000 224.714 -45.2326 175.418 -64.6861 51.0622 88.2711 155.148 69.9603 228.662 PRESSAVG: 4913000 45.8634 -50.3608 19.7693 -50.3607 -6.97649 9.51896 19.7693 9.51905 -41.0365 GPRESSAVG: 4913000 45.4508 -50.4394 22.6459 -50.126 -6.37694 7.37809 18.0377 11.7136 -40.794 TIMING: 4913000 CPU: 14749.6, 0.0029966/step Wall: 14749.6, 0.0029966/step, 0.0724179 hours remaining, 212.328125 MB of memory in use. ENERGY: 4913000 714.9956 2080.5482 1925.2464 109.2396 -206108.3042 17903.7253 0.0000 0.0000 34188.7006 -149185.8486 298.5784 -183374.5492 -149094.4247 298.7935 134.9798 168.1459 556589.1904 -0.7165 -0.5734 PRESSURE: 4913200 73.7219 -116.36 -19.9686 -116.359 67.143 146.09 -19.9706 146.091 91.3583 GPRESSURE: 4913200 153.678 -73.0785 -38.9304 -106.247 77.8292 139.426 39.0854 116.312 100.71 PRESSAVG: 4913200 46.9257 -45.9788 8.40444 -45.9789 -48.3309 -3.22646 8.40432 -3.22652 39.6893 GPRESSAVG: 4913200 47.2017 -46.431 7.62446 -44.4681 -47.7057 -0.833216 10.2925 -8.06342 39.4773 TIMING: 4913200 CPU: 14750.2, 0.00299523/step Wall: 14750.2, 0.00299523/step, 0.0722184 hours remaining, 212.328125 MB of memory in use. ENERGY: 4913200 729.4655 2103.8106 1928.1542 108.1079 -206136.8895 17778.2984 0.0000 0.0000 34371.5042 -149117.5486 300.1749 -183489.0528 -149020.5288 299.4562 77.4077 110.7391 556060.4070 12.7614 12.9911 PRESSURE: 4913400 125.162 40.3144 -68.5577 40.3158 -12.7562 -198.912 -68.5577 -198.911 -182.876 GPRESSURE: 4913400 181.548 55.9294 -100.122 63.7036 -16.6498 -187.898 -108.374 -212.032 -143.208 PRESSAVG: 4913400 34.5148 -34.6586 58.0604 -34.6587 -28.1286 16.7653 58.0605 16.7653 -1.78598 GPRESSAVG: 4913400 33.2828 -33.4473 59.5022 -37.2635 -26.9097 15.9896 57.3725 17.9769 -2.22084 TIMING: 4913400 CPU: 14750.8, 0.00300479/step Wall: 14750.8, 0.00300479/step, 0.072282 hours remaining, 212.328125 MB of memory in use. ENERGY: 4913400 750.9193 2067.9007 1948.9408 105.5896 -206100.7963 17778.9715 0.0000 0.0000 34383.9697 -149064.5047 300.2838 -183448.4744 -148961.3112 299.2356 -23.4901 7.2302 557634.2878 1.5334 1.3841 PRESSURE: 4913600 -192.328 75.7073 41.2455 75.7082 -123.257 -16.3123 41.2461 -16.3119 257.185 GPRESSURE: 4913600 -135.521 88.8202 30.4542 -13.5665 -107.827 -27.5819 65.3743 25.5998 275.768 PRESSAVG: 4913600 27.5312 45.1799 22.3915 45.1799 -22.281 -43.7736 22.3916 -43.7735 12.1043 GPRESSAVG: 4913600 28.0961 44.6874 20.5697 47.5875 -23.5485 -42.9036 22.8977 -42.2041 12.8094 TIMING: 4913600 CPU: 14751.4, 0.00299955/step Wall: 14751.4, 0.00299955/step, 0.0719892 hours remaining, 212.328125 MB of memory in use. ENERGY: 4913600 754.5337 2059.5773 1944.8494 106.4453 -206229.1799 17783.4190 0.0000 0.0000 34250.5985 -149329.7568 299.1190 -183580.3553 -149231.8214 299.8432 -19.4667 10.8068 558603.5270 5.7848 5.7857 PRESSURE: 4913800 -9.63996 136.205 53.4703 136.204 -154.6 -119.672 53.4709 -119.674 -496.413 GPRESSURE: 4913800 37.827 210.313 31.7009 19.6282 -136.959 -172.421 109.128 -84.7705 -469.796 PRESSAVG: 4913800 3.90007 7.23872 26.939 7.23866 -30.0737 -27.4528 26.939 -27.4528 -29.7314 GPRESSAVG: 4913800 4.48048 8.27554 28.8569 4.38354 -29.9854 -27.4498 25.8307 -27.7632 -30.685 TIMING: 4913800 CPU: 14752, 0.0029877/step Wall: 14752, 0.0029877/step, 0.0715388 hours remaining, 212.328125 MB of memory in use. ENERGY: 4913800 777.9706 2052.6781 1944.3371 116.9623 -205696.9460 17500.5649 0.0000 0.0000 34161.5208 -149142.9122 298.3411 -183304.4329 -149050.6285 298.7343 -220.2176 -189.6428 559089.3939 -18.6350 -18.7300 PRESSURE: 4914000 -185.854 165.025 149.767 165.025 -201.334 9.86503 149.768 9.86411 -153.804 GPRESSURE: 4914000 -114.227 163.14 81.8632 97.5635 -197.011 -9.25022 177.172 76.4658 -121.307 PRESSAVG: 4914000 55.2938 65.3784 5.44085 65.3785 -23.7421 29.6461 5.44098 29.6461 12.5357 GPRESSAVG: 4914000 55.6768 65.0441 6.66837 65.9847 -24.9125 27.6246 6.04329 29.9346 13.3685 TIMING: 4914000 CPU: 14752.6, 0.00297629/step Wall: 14752.6, 0.00297629/step, 0.0711002 hours remaining, 212.398438 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: 4914000 732.4273 2018.5939 1946.4249 97.0316 -205886.4594 17506.5241 0.0000 0.0000 34466.5863 -149118.8712 301.0053 -183585.4574 -149022.6952 299.6715 -180.3307 -144.1813 559638.9991 14.6958 14.7109 PRESSURE: 4914200 -318.938 -92.9001 57.9416 -92.8988 -224.567 97.9072 57.9431 97.9103 -67.4109 GPRESSURE: 4914200 -252.973 -71.8864 22.1081 -97.1499 -170.503 46.2263 64.5033 131.82 -74.5486 PRESSAVG: 4914200 34.2499 37.4027 33.1783 37.4028 34.196 45.0415 33.1783 45.0415 -45.3415 GPRESSAVG: 4914200 33.8137 36.5059 32.9826 38.5904 34.2267 45.4238 32.0847 42.6137 -44.5603 TIMING: 4914200 CPU: 14753.2, 0.00299125/step Wall: 14753.2, 0.00299125/step, 0.0712916 hours remaining, 212.398438 MB of memory in use. ENERGY: 4914200 752.0985 2159.9744 1931.0480 120.8266 -206585.6492 17832.2800 0.0000 0.0000 34466.7851 -149322.6366 301.0070 -183789.4216 -149224.9797 298.8211 -203.6387 -166.0083 558759.0243 7.7015 7.8267 PRESSURE: 4914400 243.899 -56.1515 -144.287 -56.1497 -70.2291 132.518 -144.287 132.518 166.283 GPRESSURE: 4914400 298.213 2.87623 -138.832 -68.1572 -5.93759 95.4218 -97.8377 89.1733 143.268 PRESSAVG: 4914400 34.2177 47.8979 -22.7254 47.898 -25.9735 0.0437722 -22.7255 0.0437655 13.9639 GPRESSAVG: 4914400 33.1698 49.7575 -23.3107 47.2009 -26.0279 -1.36481 -21.2849 2.76652 14.378 TIMING: 4914400 CPU: 14753.8, 0.0029887/step Wall: 14753.8, 0.0029887/step, 0.0710646 hours remaining, 212.398438 MB of memory in use. ENERGY: 4914400 755.7604 2081.8394 1941.1390 114.0140 -206623.3491 18036.9685 0.0000 0.0000 34251.1252 -149442.5025 299.1236 -183693.6277 -149348.2633 298.6706 113.3176 145.1812 557003.6766 7.4027 7.1733 PRESSURE: 4914600 -147.642 -37.7283 -9.21785 -37.7289 -152.718 -73.6713 -9.21774 -73.6708 -211.041 GPRESSURE: 4914600 -79.4061 -72.3865 -26.4577 -50.107 -126.303 -97.5134 -90.3393 -77.9222 -215.519 PRESSAVG: 4914600 -3.68659 23.9769 -66.3991 23.9769 3.40964 -29.1046 -66.3991 -29.1045 -35.0175 GPRESSAVG: 4914600 -2.61495 24.6753 -67.3905 24.3001 4.12809 -27.2631 -65.9245 -31.4674 -37.2633 TIMING: 4914600 CPU: 14754.4, 0.00300946/step Wall: 14754.4, 0.00300946/step, 0.0713912 hours remaining, 212.398438 MB of memory in use. ENERGY: 4914600 743.5495 2106.4299 1929.2314 121.9571 -206280.2644 17512.9768 0.0000 0.0000 34287.2967 -149578.8231 299.4395 -183866.1197 -149484.7058 298.4248 -170.4670 -140.4092 557197.6189 -11.7648 -11.9167 PRESSURE: 4914800 86.8271 -209.926 9.51535 -209.926 -76.9277 -5.91198 9.51349 -5.91307 -225.957 GPRESSURE: 4914800 123.665 -216.764 52.8136 -85.0695 -72.7448 40.4799 -16.3367 -31.4052 -167.771 PRESSAVG: 4914800 -61.4587 -52.8705 9.38543 -52.8706 35.2965 4.91271 9.38544 4.91255 17.3767 GPRESSAVG: 4914800 -61.7396 -57.3056 9.08303 -49.7564 33.5381 5.9902 8.43051 5.43713 19.3098 TIMING: 4914800 CPU: 14755, 0.00297682/step Wall: 14755, 0.00297682/step, 0.0704513 hours remaining, 212.398438 MB of memory in use. ENERGY: 4914800 758.3201 2047.4535 1941.7504 102.9939 -206310.1347 17715.9532 0.0000 0.0000 34120.8786 -149622.7850 297.9861 -183743.6636 -149520.3692 298.0662 -72.0193 -38.9504 556844.7639 -2.9285 -2.9639 PRESSURE: 4915000 -22.8166 -151.699 58.3678 -151.699 -279.674 235.003 58.3678 235.005 -19.6088 GPRESSURE: 4915000 18.3988 -139.556 5.16307 -83.4642 -286.345 196.242 63.6508 278.088 59.1899 PRESSAVG: 4915000 7.41984 -31.1817 35.3166 -31.1816 -24.794 2.2303 35.3166 2.23031 50.8343 GPRESSAVG: 4915000 7.43619 -31.0677 34.3054 -30.6637 -22.7299 2.47597 36.1846 2.00548 49.0042 TIMING: 4915000 CPU: 14755.6, 0.00296179/step Wall: 14755.6, 0.00296179/step, 0.0699312 hours remaining, 212.398438 MB of memory in use. ENERGY: 4915000 786.7328 2075.4536 1954.6221 121.1488 -206582.8600 17970.1907 0.0000 0.0000 33940.3570 -149734.3550 296.4096 -183674.7120 -149643.2447 298.1460 -107.3664 -69.5854 556547.0472 11.1534 11.2368 PRESSURE: 4915200 -33.3307 -145.584 -130.962 -145.585 -141.26 -18.6529 -130.962 -18.6548 -306.815 GPRESSURE: 4915200 0.86779 -178.75 -47.6104 -155.473 -143.401 -58.7078 -173.799 17.7629 -231.274 PRESSAVG: 4915200 16.6533 -14.9438 9.49916 -14.9437 -52.1292 21.8828 9.49905 21.8828 19.942 GPRESSAVG: 4915200 15.9252 -12.9864 11.6874 -16.4682 -50.9176 21.4965 10.1065 23.0096 19.5252 TIMING: 4915200 CPU: 14756.2, 0.00299041/step Wall: 14756.2, 0.00299041/step, 0.0704408 hours remaining, 212.398438 MB of memory in use. ENERGY: 4915200 759.3904 2086.3696 1941.9620 103.2436 -206171.8843 17605.5391 0.0000 0.0000 33909.8161 -149765.5635 296.1429 -183675.3796 -149669.0716 297.8812 -160.4688 -124.6025 556731.5116 -5.1780 -5.1557 PRESSURE: 4915400 -144.182 -120.431 75.929 -120.432 -152.978 -2.40878 75.9292 -2.40783 -2.07358 GPRESSURE: 4915400 -74.3444 -168.808 53.1358 -154.141 -104.775 -3.22931 157.912 -41.4512 -24.4175 PRESSAVG: 4915400 27.9168 -46.5801 16.5891 -46.58 -38.4837 -12.8636 16.5891 -12.8637 -11.8972 GPRESSAVG: 4915400 28.9492 -46.4635 16.4884 -47.7072 -39.246 -15.2472 16.1276 -12.8571 -12.1362 TIMING: 4915400 CPU: 14756.8, 0.00298632/step Wall: 14756.8, 0.00298632/step, 0.0701786 hours remaining, 212.398438 MB of memory in use. ENERGY: 4915400 748.0850 2053.8042 1964.3429 108.9414 -206200.8921 17510.6829 0.0000 0.0000 33907.7393 -149907.2963 296.1247 -183815.0356 -149813.4484 296.6172 -99.7445 -67.8457 555507.3095 -7.4880 -7.4777 PRESSURE: 4915600 -87.0507 -185.631 -5.63362 -185.631 147.285 -21.4835 -5.6355 -21.4837 -67.1194 GPRESSURE: 4915600 -57.2513 -160.696 -93.6726 -94.6174 141.184 1.69561 1.13083 74.3222 9.10913 PRESSAVG: 4915600 -31.1858 -76.2529 -2.35134 -76.2527 -74.9617 -22.8087 -2.3514 -22.8087 35.6976 GPRESSAVG: 4915600 -31.1433 -78.0446 -3.03816 -75.0206 -75.7643 -21.6034 -1.58316 -24.3573 36.7107 TIMING: 4915600 CPU: 14757.4, 0.00298224/step Wall: 14757.4, 0.00298224/step, 0.069917 hours remaining, 212.398438 MB of memory in use. ENERGY: 4915600 715.7025 2083.7656 1929.1686 103.7739 -206301.9562 17677.9754 0.0000 0.0000 33970.2665 -149821.3036 296.6708 -183791.5702 -149731.5156 297.2971 -2.2951 31.0138 555959.2009 -23.4833 -23.3990 PRESSURE: 4915800 85.5041 -27.2346 7.21107 -27.236 82.5362 45.7997 7.21243 45.7992 32.1086 GPRESSURE: 4915800 137.234 -9.60756 59.2682 -125.733 163.471 91.9861 -14.9916 4.30985 13.7894 PRESSAVG: 4915800 3.52261 -31.8679 22.4707 -31.8678 -40.1705 81.5576 22.4706 81.5578 35.7226 GPRESSAVG: 4915800 3.61109 -30.977 21.3076 -34.0305 -40.0809 83.1084 22.8877 82.4354 35.6345 TIMING: 4915800 CPU: 14758, 0.00297604/step Wall: 14758, 0.00297604/step, 0.0696063 hours remaining, 212.398438 MB of memory in use. ENERGY: 4915800 704.2192 2104.0170 1933.2850 103.2019 -206492.0340 17889.5291 0.0000 0.0000 33902.9786 -149854.8033 296.0831 -183757.7819 -149754.6166 297.6426 66.7163 104.8315 555644.7875 -0.3084 -0.2784 PRESSURE: 4916000 -246.191 138.299 6.59045 138.299 -113.194 -49.7477 6.58917 -49.7468 10.1648 GPRESSURE: 4916000 -201.848 175.824 61.8883 88.6481 -101.213 -0.298963 -10.3636 -87.5509 52.3311 PRESSAVG: 4916000 36.8429 -12.7847 -10.5916 -12.7847 15.8953 21.7636 -10.5917 21.7637 -27.2634 GPRESSAVG: 4916000 36.3646 -12.0685 -10.0376 -13.8768 16.4406 19.184 -13.6448 22.604 -27.4186 TIMING: 4916000 CPU: 14758.6, 0.00298813/step Wall: 14758.6, 0.00298813/step, 0.0697229 hours remaining, 212.398438 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: 4916000 741.4429 2074.3883 1922.9436 114.7254 -206741.3096 17854.5684 0.0000 0.0000 34212.8464 -149820.3945 298.7893 -184033.2409 -149722.3843 297.3495 -116.4069 -83.5764 556307.0776 8.4916 8.4622 PRESSURE: 4916200 35.6115 175.835 38.3269 175.836 132.607 -45.7317 38.3275 -45.731 -95.1937 GPRESSURE: 4916200 -29.705 143.834 121.586 186.657 181.761 -12.5297 33.6228 -5.20697 16.5174 PRESSAVG: 4916200 -81.7184 79.5712 -51.2945 79.5712 12.8639 15.0626 -51.2944 15.0626 31.3069 GPRESSAVG: 4916200 -81.6888 77.6731 -50.3548 82.4452 12.5204 17.5752 -50.5678 14.614 31.8992 TIMING: 4916200 CPU: 14759.2, 0.00297979/step Wall: 14759.2, 0.00297979/step, 0.0693629 hours remaining, 212.398438 MB of memory in use. ENERGY: 4916200 719.0308 2082.8880 1952.0755 118.3697 -206565.0313 17747.4647 0.0000 0.0000 34229.7162 -149715.4864 298.9366 -183945.2026 -149626.7674 297.4321 24.3416 56.1913 555466.6883 -12.5159 -12.4231 LDB: ============= START OF LOAD BALANCING ============== 14762.7 LDB: ============== END OF LOAD BALANCING =============== 14762.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14762.7 LDB: ============= START OF LOAD BALANCING ============== 14763 LDB: Largest compute 4773 load 0.025920 is 21.9% of average load 0.118259 LDB: Average compute 0.001713 is 1.4% of average load 0.118259 LDB: TIME 14763 LOAD: AVG 0.118259 MAX 0.209589 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.855 MB LDB: TIME 14763 LOAD: AVG 0.118259 MAX 0.209589 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.926 MB LDB: TIME 14763 LOAD: AVG 0.118259 MAX 0.209589 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.926 MB LDB: ============== END OF LOAD BALANCING =============== 14763 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14763 PRESSURE: 4916400 -7.18426 -128.517 40.0751 -128.517 163.101 179.829 40.0761 179.83 -75.871 GPRESSURE: 4916400 55.6271 -49.3545 -44.6894 -128.495 159.581 160.591 18.9489 203.088 -27.0248 PRESSAVG: 4916400 13.8289 24.703 12.1782 24.7031 40.3872 53.5957 12.1783 53.5958 -9.1193 GPRESSAVG: 4916400 14.4013 26.5335 12.3236 23.9015 40.151 53.0137 11.8373 53.095 -8.80663 TIMING: 4916400 CPU: 14759.8, 0.00302414/step Wall: 14759.8, 0.00302414/step, 0.0702272 hours remaining, 209.234375 MB of memory in use. ENERGY: 4916400 701.9444 2082.7591 1965.2095 118.9133 -206460.8036 17924.4039 0.0000 0.0000 34231.7467 -149435.8268 298.9544 -183667.5735 -149337.6712 298.1819 26.6820 62.7278 557480.5321 15.0323 15.2486 PRESSURE: 4916600 221.148 81.0542 -101.538 81.0541 113.348 63.1024 -101.538 63.1014 68.0943 GPRESSURE: 4916600 277.953 44.3934 -167.889 109.58 141.625 116.675 -152.782 64.4404 81.8869 PRESSAVG: 4916600 15.1099 -2.36359 35.2511 -2.36357 36.9065 15.1923 35.2512 15.1921 -60.7968 GPRESSAVG: 4916600 16.1044 -4.31243 36.3748 -1.70437 37.2357 13.5178 36.6684 16.5649 -61.7164 TIMING: 4916600 CPU: 14760.4, 0.0029624/step Wall: 14760.4, 0.0029624/step, 0.0686289 hours remaining, 209.304688 MB of memory in use. ENERGY: 4916600 720.5612 2085.3869 1953.7731 115.8619 -206572.3353 18081.0284 0.0000 0.0000 34244.6339 -149371.0900 299.0669 -183615.7239 -149276.3851 298.6347 134.1967 167.1550 557338.4662 -2.9268 -2.7921 PRESSURE: 4916800 146.736 -65.9353 185.033 -65.9352 16.3247 95.9191 185.033 95.9206 212.618 GPRESSURE: 4916800 230.545 -137.514 211.413 25.882 8.11255 52.3574 171.737 134.467 239.006 PRESSAVG: 4916800 9.01605 16.4873 2.03732 16.4873 -25.45 43.4102 2.03725 43.4103 1.65618 GPRESSAVG: 4916800 7.44531 17.3831 0.586253 15.762 -25.8568 46.89 1.22597 43.134 3.32196 TIMING: 4916800 CPU: 14761, 0.0029484/step Wall: 14761, 0.0029484/step, 0.0681408 hours remaining, 209.304688 MB of memory in use. ENERGY: 4916800 728.5383 2146.9309 1970.6528 119.1776 -206256.2677 17809.9460 0.0000 0.0000 34145.5855 -149335.4366 298.2019 -183481.0221 -149237.1856 299.4206 125.2260 159.2211 556404.6481 -4.9259 -5.0299 PRESSURE: 4917000 -296.912 263.663 112.767 263.662 -201.899 80.8198 112.767 80.8192 -228.316 GPRESSURE: 4917000 -242.111 280.197 119.704 236.144 -174.978 24.7121 87.1743 77.9201 -217.849 PRESSAVG: 4917000 13.0187 -16.8123 55.2535 -16.8124 -104 10.4062 55.2535 10.4061 77.985 GPRESSAVG: 4917000 12.2733 -16.627 56.3346 -16.3643 -104.112 8.5174 54.762 10.4187 78.4712 TIMING: 4917000 CPU: 14761.6, 0.00297101/step Wall: 14761.6, 0.00297101/step, 0.0684983 hours remaining, 209.304688 MB of memory in use. ENERGY: 4917000 751.7677 2168.2238 1949.0993 93.7869 -206106.6361 17596.1328 0.0000 0.0000 34189.3313 -149358.2943 298.5839 -183547.6256 -149257.3469 299.0073 -242.3759 -211.6459 557040.5840 -4.3321 -4.4558 PRESSURE: 4917200 264.738 156.853 -70.2606 156.853 264.725 22.9941 -70.2614 22.9929 187.811 GPRESSURE: 4917200 246.024 113.311 -107.747 203.495 314.846 35.6727 -74.4121 7.62754 246.073 PRESSAVG: 4917200 1.31538 67.3329 42.468 67.3328 27.4712 31.816 42.468 31.8161 -26.2489 GPRESSAVG: 4917200 1.28476 66.5997 39.3658 67.1062 28.1428 31.1808 44.2648 30.5746 -26.81 TIMING: 4917200 CPU: 14762.2, 0.00297695/step Wall: 14762.2, 0.00297695/step, 0.0684698 hours remaining, 209.304688 MB of memory in use. ENERGY: 4917200 710.2583 2065.2569 1938.5297 118.9499 -206542.4652 18107.1764 0.0000 0.0000 34284.3466 -149317.9474 299.4137 -183602.2941 -149222.2770 299.5450 239.0914 268.9810 556001.9021 0.8459 0.8725 PRESSURE: 4917400 120.211 25.4576 42.5776 25.4579 -356.701 21.0992 42.5769 21.0977 -174.706 GPRESSURE: 4917400 201.144 2.16706 46.0937 25.8984 -324.386 -38.4256 62.6712 -46.848 -195.574 PRESSAVG: 4917400 62.3836 16.2618 63.3695 16.2618 -83.2096 46.2664 63.3695 46.2664 -20.2339 GPRESSAVG: 4917400 62.9087 17.3689 65.2968 16.5546 -83.9725 47.0451 61.4545 46.8105 -20.4831 TIMING: 4917400 CPU: 14762.8, 0.0029806/step Wall: 14762.8, 0.0029806/step, 0.0683882 hours remaining, 209.304688 MB of memory in use. ENERGY: 4917400 727.4430 2093.6690 1936.8549 99.1237 -206333.5528 17705.3682 0.0000 0.0000 34418.9074 -149352.1866 300.5889 -183771.0941 -149253.4372 299.3150 -137.0656 -106.2721 558409.7500 -13.6866 -13.8490 PRESSURE: 4917600 19.0372 84.2424 -39.1699 84.2427 -18.5143 125.388 -39.1686 125.386 -44.8079 GPRESSURE: 4917600 -11.3699 50.481 9.45351 134.553 90.5138 120.66 -70.3834 161.779 -34.7311 PRESSAVG: 4917600 97.6896 1.28982 -7.75737 1.28972 -28.6084 28.6566 -7.75726 28.6566 -38.5553 GPRESSAVG: 4917600 96.5618 -0.209113 -8.07107 3.47704 -27.3599 27.3155 -5.62104 29.162 -38.7765 TIMING: 4917600 CPU: 14763.3, 0.00297148/step Wall: 14763.3, 0.00297148/step, 0.0680138 hours remaining, 209.304688 MB of memory in use. ENERGY: 4917600 757.8233 2159.3102 1951.4606 110.0184 -206189.0318 17716.4910 0.0000 0.0000 34097.4524 -149396.4759 297.7815 -183493.9282 -149300.5728 299.4075 -14.7617 14.8043 556673.7043 10.1753 10.1418 PRESSURE: 4917800 233.079 81.5728 -110.057 81.5734 -11.9985 -87.764 -110.058 -87.7662 -110.207 GPRESSURE: 4917800 261.605 44.4156 -25.8846 87.5507 23.3839 -77.8106 -130.32 -75.5311 -80.9294 PRESSAVG: 4917800 25.2912 10.4556 21.2479 10.4557 3.59607 31.1449 21.2478 31.1449 -4.74758 GPRESSAVG: 4917800 26.732 10.0996 22.326 8.36195 0.907084 31.5478 20.1068 31.2304 -3.62145 TIMING: 4917800 CPU: 14763.9, 0.00298109/step Wall: 14763.9, 0.00298109/step, 0.0680682 hours remaining, 209.304688 MB of memory in use. ENERGY: 4917800 752.7859 2114.2516 1951.3271 104.8792 -206267.8537 17880.3578 0.0000 0.0000 34104.2219 -149360.0303 297.8407 -183464.2522 -149267.2769 298.9986 36.9580 68.0199 558265.6755 8.0466 8.0059 PRESSURE: 4918000 6.56509 29.1133 -112.54 29.1131 -121.454 -14.4737 -112.541 -14.4749 -355.622 GPRESSURE: 4918000 23.2993 136.967 -138.543 4.24626 -58.2003 -46.4642 -172.697 -17.6935 -321.394 PRESSAVG: 4918000 -21.69 -56.7672 12.2252 -56.7671 49.7241 -12.4107 12.2252 -12.4108 -27.401 GPRESSAVG: 4918000 -22.7483 -55.922 9.31874 -56.3734 51.2587 -13.5486 14.5672 -11.7309 -28.41 TIMING: 4918000 CPU: 14764.5, 0.00299082/step Wall: 14764.5, 0.00299082/step, 0.0681242 hours remaining, 209.304688 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: 4918000 750.7018 2078.8197 1934.7129 127.6459 -206088.6235 17581.3401 0.0000 0.0000 34186.5001 -149428.9030 298.5592 -183615.4031 -149327.7194 298.8992 -156.8370 -118.7651 557670.6349 0.2110 0.0335 PRESSURE: 4918200 3.47771 28.1064 -127.396 28.1073 204.135 -132.126 -127.396 -132.127 -155.209 GPRESSURE: 4918200 0.550058 46.7545 -58.4916 41.3105 249.226 -219.195 -91.8449 -93.7727 -104.03 PRESSAVG: 4918200 -21.5653 -18.8287 -75.2136 -18.8287 21.5888 9.12617 -75.2136 9.12604 25.4628 GPRESSAVG: 4918200 -20.3859 -18.5439 -74.9651 -19.4212 21.5017 9.44273 -76.0429 8.45783 24.2807 TIMING: 4918200 CPU: 14765.1, 0.00301073/step Wall: 14765.1, 0.00301073/step, 0.0684105 hours remaining, 209.304688 MB of memory in use. ENERGY: 4918200 759.1125 2100.0959 1926.5538 113.5396 -206306.5216 17861.2536 0.0000 0.0000 34151.9587 -149394.0076 298.2575 -183545.9663 -149293.2207 298.9611 17.4679 48.5818 557018.7975 8.4954 8.4655 PRESSURE: 4918400 -6.20977 -34.7613 -72.2356 -34.7606 97.6192 8.40786 -72.2365 8.40877 13.4145 GPRESSURE: 4918400 74.6351 -80.6924 -45.6784 -18.1213 121.496 11.563 -6.84063 44.6359 8.13373 PRESSAVG: 4918400 13.2319 39.4453 36.0398 39.4454 26.3824 -10.46 36.0398 -10.46 -28.9759 GPRESSAVG: 4918400 13.1545 38.7248 36.8916 41.5363 24.9863 -11.2984 35.1103 -11.4924 -28.1642 TIMING: 4918400 CPU: 14765.7, 0.00298323/step Wall: 14765.7, 0.00298323/step, 0.0676198 hours remaining, 209.304688 MB of memory in use. ENERGY: 4918400 780.0726 2066.7053 1959.2256 131.1062 -206321.2102 17900.0177 0.0000 0.0000 34271.5813 -149212.5014 299.3022 -183484.0828 -149118.8497 298.9909 34.9413 68.0883 559057.8041 3.5461 3.3255 PRESSURE: 4918600 95.548 58.7288 -82.352 58.728 99.1445 -55.2395 -82.3521 -55.2405 -176.942 GPRESSURE: 4918600 120.154 48.1282 -27.1227 -12.6028 142.928 -60.2006 -142.32 -35.7955 -157.155 PRESSAVG: 4918600 -24.6462 20.2133 -6.86954 20.2133 -44.5628 30.5757 -6.86944 30.5759 50.1026 GPRESSAVG: 4918600 -27.0034 21.3137 -9.21788 17.9604 -43.0855 30.7439 -3.89125 31.0778 50.607 TIMING: 4918600 CPU: 14766.3, 0.00298273/step Wall: 14766.3, 0.00298273/step, 0.0674427 hours remaining, 209.304688 MB of memory in use. ENERGY: 4918600 701.1901 2099.5780 1924.2568 108.5026 -206433.0957 17689.3766 0.0000 0.0000 34386.0416 -149524.1499 300.3019 -183910.1916 -149435.1632 299.3845 5.9167 35.3091 557092.1523 -6.3688 -6.4940 PRESSURE: 4918800 91.9426 -39.1261 -108.903 -39.1254 205.732 91.9068 -108.904 91.9074 -66.9304 GPRESSURE: 4918800 130.112 -18.5016 -67.9124 -59.2486 195.945 82.9454 -124.536 87.6606 7.37476 PRESSAVG: 4918800 5.21034 36.8475 42.6755 36.8475 31.9998 10.644 42.6755 10.6441 -30.9838 GPRESSAVG: 4918800 6.37467 36.0794 44.979 38.2777 31.1774 10.2778 38.6294 11.1465 -31.5676 TIMING: 4918800 CPU: 14766.9, 0.00298193/step Wall: 14766.9, 0.00298193/step, 0.0672591 hours remaining, 209.304688 MB of memory in use. ENERGY: 4918800 767.9308 2064.7589 1935.5645 112.9556 -206362.7705 17880.2182 0.0000 0.0000 34192.9517 -149408.3907 298.6156 -183601.3424 -149310.1072 298.9381 76.9148 111.1439 556651.7546 2.0755 1.9948 PRESSURE: 4919000 142.808 -139.003 -51.7274 -139.004 -120.389 26.9167 -51.7276 26.9163 -7.88419 GPRESSURE: 4919000 181.523 -129.373 -25.3816 -94.4844 -74.2923 37.9462 43.0828 15.5858 -9.93511 PRESSAVG: 4919000 51.9248 -41.1495 -2.72113 -41.1494 -3.4291 -33.972 -2.72116 -33.9719 1.73048 GPRESSAVG: 4919000 52.3368 -39.8163 -3.55185 -41.4454 -3.96271 -33.0166 -1.03584 -34.5795 1.93223 TIMING: 4919000 CPU: 14767.5, 0.00299757/step Wall: 14767.5, 0.00299757/step, 0.0674452 hours remaining, 209.304688 MB of memory in use. ENERGY: 4919000 733.7848 2083.4781 1950.1142 129.5773 -206387.6579 17694.4251 0.0000 0.0000 34569.9886 -149226.2897 301.9083 -183796.2784 -149130.7878 299.3908 4.8451 32.4320 556695.8623 16.7421 16.7688 PRESSURE: 4919200 -81.7482 -116.931 130.715 -116.931 88.3139 29.4547 130.716 29.4551 152.959 GPRESSURE: 4919200 -76.866 -48.2359 94.4116 -143.695 123.261 -6.29881 91.1181 -13.1371 219.844 PRESSAVG: 4919200 0.136438 26.8277 6.97694 26.8279 -14.4223 26.0115 6.97693 26.0116 20.5637 GPRESSAVG: 4919200 0.371879 25.89 7.28758 26.9987 -14.3936 25.1716 6.24451 27.2411 20.6195 TIMING: 4919200 CPU: 14768.1, 0.00300134/step Wall: 14768.1, 0.00300134/step, 0.0673633 hours remaining, 209.304688 MB of memory in use. ENERGY: 4919200 751.5036 2149.3122 1946.4850 133.1013 -206790.8747 17983.5854 0.0000 0.0000 34340.1149 -149486.7722 299.9008 -183826.8870 -149381.9860 299.5756 53.1750 88.7464 554993.4305 2.0926 2.1993 PRESSURE: 4919400 -226.85 -71.9759 -75.7875 -71.9759 11.4188 -168.257 -75.7873 -168.257 -91.8235 GPRESSURE: 4919400 -174.679 -31.8895 -48.4148 -26.2949 9.72935 -86.24 -102.094 -198.82 -39.6711 PRESSAVG: 4919400 32.3353 13.7961 -12.431 13.7962 -26.9292 22.5088 -12.4309 22.5088 4.46031 GPRESSAVG: 4919400 30.8571 13.3081 -10.8556 14.6074 -25.9969 21.7454 -12.2636 23.2026 4.79283 TIMING: 4919400 CPU: 14768.7, 0.00299733/step Wall: 14768.7, 0.00299733/step, 0.0671069 hours remaining, 209.304688 MB of memory in use. ENERGY: 4919400 755.3630 2053.6428 1951.9792 107.4403 -206493.0647 17802.5132 0.0000 0.0000 34229.2478 -149592.8784 298.9325 -183822.1262 -149495.1011 298.8662 -102.4183 -68.2071 556300.4517 3.2888 3.2177 PRESSURE: 4919600 54.5078 46.6222 -15.8535 46.6226 -98.8642 9.60356 -15.8552 9.60262 117.733 GPRESSURE: 4919600 118.2 118.896 43.0621 -29.6746 -63.1211 -81.4458 -50.7709 59.0612 108.699 PRESSAVG: 4919600 12.7402 -12.1253 -2.64596 -12.1254 -16.9293 1.93212 -2.64601 1.93217 22.4433 GPRESSAVG: 4919600 13.1999 -11.8879 -1.81149 -13.9656 -17.1844 4.55453 -2.55039 -0.072776 22.5353 TIMING: 4919600 CPU: 14769.3, 0.00300458/step Wall: 14769.3, 0.00300458/step, 0.0671024 hours remaining, 209.304688 MB of memory in use. ENERGY: 4919600 738.5663 2092.6130 1957.5158 107.5779 -206669.0356 17912.8703 0.0000 0.0000 34253.0364 -149606.8558 299.1403 -183859.8921 -149511.2159 298.9141 24.4589 54.5927 556456.1296 6.0847 6.1836 PRESSURE: 4919800 -202.722 153.181 1.63875 153.18 -218.868 -75.802 1.63848 -75.8015 26.5343 GPRESSURE: 4919800 -184.416 48.7941 -35.8637 155.722 -163.164 -57.3604 30.2638 -43.1701 51.8075 PRESSAVG: 4919800 24.5927 -23.8041 48.5667 -23.8041 -67.8855 -31.2607 48.5668 -31.2606 37.0306 GPRESSAVG: 4919800 24.6933 -24.9038 47.7696 -22.3998 -67.0433 -33.7593 48.0593 -27.4654 36.2001 TIMING: 4919800 CPU: 14769.9, 0.00298196/step Wall: 14769.9, 0.00298196/step, 0.0664315 hours remaining, 209.304688 MB of memory in use. ENERGY: 4919800 704.1554 2124.1305 1945.4992 111.2741 -206280.0775 17614.9296 0.0000 0.0000 34169.3121 -149610.7767 298.4091 -183780.0887 -149517.2651 298.1187 -131.6850 -98.5907 557409.7261 -2.0874 -2.0500 PRESSURE: 4920000 276.843 92.371 75.4673 92.3704 177.674 -134.752 75.4672 -134.753 -151.64 GPRESSURE: 4920000 305.433 80.743 116.935 88.8049 212.333 -157.513 42.9892 -87.4794 -103.32 PRESSAVG: 4920000 -20.1949 -22.7367 50.6304 -22.7367 -39.1194 -53.8039 50.6304 -53.8039 53.8096 GPRESSAVG: 4920000 -21.1271 -22.3461 46.9994 -24.6232 -38.7753 -52.9908 52.3525 -56.5625 54.628 TIMING: 4920000 CPU: 14770.5, 0.00300491/step Wall: 14770.5, 0.00300491/step, 0.0667758 hours remaining, 209.304688 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: 4920000 711.1170 2097.7719 1968.2736 132.4188 -206624.3260 18000.5550 0.0000 0.0000 34224.8496 -149489.3402 298.8941 -183714.1898 -149395.9101 298.1135 100.9589 138.1486 557916.0500 -1.8349 -1.7581 PRESSURE: 4920200 80.7849 84.2057 98.8834 84.2058 -101.466 29.6744 98.8835 29.6743 127.797 GPRESSURE: 4920200 149.35 67.5303 115.483 79.9079 -131.402 -39.1125 56.7949 119.835 176.493 PRESSAVG: 4920200 -23.4838 -44.1536 18.6963 -44.1537 -68.9121 -28.0316 18.6963 -28.0317 48.5507 GPRESSAVG: 4920200 -21.9978 -42.5072 21.1426 -42.9363 -69.3218 -28.0209 16.5003 -28.6177 47.5339 TIMING: 4920200 CPU: 14771.1, 0.00301576/step Wall: 14771.1, 0.00301576/step, 0.0668494 hours remaining, 209.507812 MB of memory in use. ENERGY: 4920200 746.8065 2159.5207 1932.2796 119.2886 -206204.1702 17896.6020 0.0000 0.0000 34124.7772 -149224.8956 298.0202 -183349.6728 -149122.4213 299.2704 35.7053 64.8139 557874.6061 -14.6150 -14.5952 LDB: ============= START OF LOAD BALANCING ============== 14774.7 LDB: ============== END OF LOAD BALANCING =============== 14774.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14774.7 LDB: ============= START OF LOAD BALANCING ============== 14775 LDB: Largest compute 4773 load 0.026283 is 22.2% of average load 0.118234 LDB: Average compute 0.001712 is 1.4% of average load 0.118234 LDB: TIME 14775 LOAD: AVG 0.118234 MAX 0.214139 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.492 MB LDB: TIME 14775 LOAD: AVG 0.118234 MAX 0.214139 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.492 MB LDB: TIME 14775 LOAD: AVG 0.118234 MAX 0.214139 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.492 MB LDB: ============== END OF LOAD BALANCING =============== 14775 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14775 PRESSURE: 4920400 257.873 117.657 131.154 117.657 -193.725 -163.36 131.154 -163.36 -165.532 GPRESSURE: 4920400 279.405 147.209 184.824 182.081 -159.668 -196.242 107.297 -180.433 -118.264 PRESSAVG: 4920400 45.4575 -33.7144 22.7592 -33.7144 -67.1513 -44.1159 22.7592 -44.116 54.4886 GPRESSAVG: 4920400 45.4122 -35.6272 21.9333 -32.9758 -67.8559 -43.5792 22.2927 -43.8494 55.5481 TIMING: 4920400 CPU: 14771.7, 0.00308116/step Wall: 14771.7, 0.00308116/step, 0.0681279 hours remaining, 209.546875 MB of memory in use. ENERGY: 4920400 757.4470 2080.4753 1938.1982 115.1316 -206433.1589 17861.8487 0.0000 0.0000 34314.4699 -149365.5882 299.6768 -183680.0581 -149274.0236 298.8869 -33.7946 0.4914 558380.9443 10.9316 11.0348 PRESSURE: 4920600 -10.8869 73.998 -40.971 73.998 -53.6392 51.1976 -40.9706 51.198 -100.211 GPRESSURE: 4920600 48.5338 131.666 19.711 17.4024 4.81815 -2.99589 -14.0557 62.6891 -124.255 PRESSAVG: 4920600 28.1733 52.567 30.7678 52.567 -70.5462 -31.9473 30.7678 -31.9473 6.07893 GPRESSAVG: 4920600 28.0547 52.9971 32.299 50.899 -70.5811 -31.9892 31.409 -32.2765 6.42754 TIMING: 4920600 CPU: 14772.4, 0.0030205/step Wall: 14772.4, 0.0030205/step, 0.0666187 hours remaining, 209.546875 MB of memory in use. ENERGY: 4920600 764.7223 2080.7000 1966.1313 111.2905 -206571.3286 17904.1159 0.0000 0.0000 34359.7590 -149384.6095 300.0723 -183744.3685 -149285.6960 298.6462 -54.9123 -23.6344 559893.1092 -12.0980 -12.0330 PRESSURE: 4920800 -273.839 58.7199 -109.994 58.7207 -98.0587 -10.7039 -109.995 -10.7035 -140.691 GPRESSURE: 4920800 -261.61 49.4349 -57.5565 102.5 -60.243 1.23836 -57.8284 28.6564 -92.8376 PRESSAVG: 4920800 29.7273 8.97579 -23.2737 8.97578 10.6461 -75.9001 -23.2737 -75.9001 -14.2566 GPRESSAVG: 4920800 30.6364 9.59881 -23.6373 9.08136 10.5235 -75.8942 -23.0927 -75.5456 -14.7037 TIMING: 4920800 CPU: 14773, 0.00299911/step Wall: 14773, 0.00299911/step, 0.0659804 hours remaining, 209.546875 MB of memory in use. ENERGY: 4920800 758.3859 2050.4591 1944.5137 106.8019 -206236.4179 17728.5569 0.0000 0.0000 34220.7943 -149426.9062 298.8587 -183647.7004 -149333.0574 299.3803 -170.8629 -138.2302 558467.9094 8.7056 8.8187 PRESSURE: 4921000 -3.59947 31.2682 -41.2032 31.2656 -33.4781 31.2004 -41.2037 31.1984 -177.329 GPRESSURE: 4921000 30.5605 -26.1412 -62.7477 87.2381 52.3795 175.788 -69.7703 25.9666 -197.148 PRESSAVG: 4921000 2.73219 27.9626 -27.2055 27.9626 47.7121 21.1947 -27.2055 21.1946 -19.3871 GPRESSAVG: 4921000 1.26134 27.0064 -26.6217 30.3571 48.7318 20.8403 -27.0772 21.6375 -18.8507 TIMING: 4921000 CPU: 14773.5, 0.00298115/step Wall: 14773.5, 0.00298115/step, 0.0654198 hours remaining, 209.546875 MB of memory in use. ENERGY: 4921000 777.2460 2110.4040 1941.2125 109.0786 -206322.4145 17878.2574 0.0000 0.0000 34029.5969 -149476.6191 297.1889 -183506.2160 -149377.4896 299.0829 -71.4689 -38.0695 558591.8844 10.3524 10.3808 PRESSURE: 4921200 -228.657 -54.2862 81.9377 -54.2875 -277.286 -185.25 81.9376 -185.251 58.6109 GPRESSURE: 4921200 -217.117 -117.58 165.963 -49.1619 -201.966 -147.698 51.4192 -159.199 60.8513 PRESSAVG: 4921200 -92.9919 11.4445 30.3412 11.4446 70.2656 -27.7805 30.3412 -27.7805 5.78023 GPRESSAVG: 4921200 -91.8401 11.3726 31.5807 10.003 70.7485 -27.7207 30.0256 -26.9756 4.56345 TIMING: 4921200 CPU: 14774.2, 0.0030054/step Wall: 14774.2, 0.0030054/step, 0.0657848 hours remaining, 209.546875 MB of memory in use. ENERGY: 4921200 804.8170 2121.8446 1930.2729 118.1768 -205965.5193 17549.1624 0.0000 0.0000 34029.1395 -149412.1061 297.1849 -183441.2456 -149313.1835 298.5139 -149.1107 -119.4106 557063.0218 -5.6487 -5.5094 PRESSURE: 4921400 331.534 11.0848 0.802828 11.0849 -93.9121 62.191 0.803318 62.1918 129.489 GPRESSURE: 4921400 345.257 -31.5294 -29.7026 23.2633 -65.0661 2.89493 97.3556 129.387 181.828 PRESSAVG: 4921400 24.4635 50.3056 29.7995 50.3056 8.67039 58.3035 29.7994 58.3035 -21.6509 GPRESSAVG: 4921400 24.5543 50.7137 26.4979 49.6372 7.76457 57.4495 29.973 57.3559 -20.7732 TIMING: 4921400 CPU: 14774.7, 0.00298885/step Wall: 14774.7, 0.00298885/step, 0.0652566 hours remaining, 209.546875 MB of memory in use. ENERGY: 4921400 735.7002 2099.6254 1948.5690 122.2247 -206483.1005 17989.5144 0.0000 0.0000 34093.3220 -149494.1447 297.7455 -183587.4667 -149397.9932 299.3055 122.3704 154.0064 556623.0725 3.8277 3.8485 PRESSURE: 4921600 -34.1532 -18.9449 37.662 -18.9451 202.911 81.9785 37.6614 81.9773 -335.501 GPRESSURE: 4921600 -56.5228 -5.31922 5.02909 -63.2651 211.872 -22.3454 18.361 81.072 -213.77 PRESSAVG: 4921600 18.9877 15.1512 6.72201 15.1511 -8.27001 23.2017 6.72194 23.2017 -7.63481 GPRESSAVG: 4921600 19.349 15.0552 8.40545 14.9792 -8.19872 24.3393 7.10716 23.5656 -7.63683 TIMING: 4921600 CPU: 14775.3, 0.00298029/step Wall: 14775.3, 0.00298029/step, 0.064904 hours remaining, 209.691406 MB of memory in use. ENERGY: 4921600 756.0886 2096.9634 1938.0068 130.7639 -206111.7085 17648.0592 0.0000 0.0000 34028.6754 -149513.1512 297.1809 -183541.8266 -149415.0330 299.1762 -55.5810 -19.4736 557141.6371 1.0276 1.1711 PRESSURE: 4921800 -46.98 40.4263 83.6853 40.4265 91.154 -165.922 83.6851 -165.921 391.585 GPRESSURE: 4921800 21.1024 39.1932 -18.6328 82.4245 117.221 -150.816 114.542 -118.458 398.725 PRESSAVG: 4921800 -10.1887 7.72673 36.8077 7.72665 -2.99439 -26.9031 36.8078 -26.9031 -15.9961 GPRESSAVG: 4921800 -9.96131 8.1936 35.5277 9.92039 -2.99155 -27.9018 35.3088 -27.2102 -16.0448 TIMING: 4921800 CPU: 14775.9, 0.0029721/step Wall: 14775.9, 0.0029721/step, 0.0645606 hours remaining, 209.691406 MB of memory in use. ENERGY: 4921800 745.6136 2061.1325 1929.2068 108.4430 -206560.7108 17979.3727 0.0000 0.0000 34259.0965 -149477.8457 299.1932 -183736.9422 -149374.6472 298.5383 145.2531 179.0161 556846.2133 -9.7264 -9.6659 PRESSURE: 4922000 -16.7145 49.8534 -227.174 49.8562 59.9095 -141.411 -227.174 -141.411 -144.17 GPRESSURE: 4922000 50.5455 0.44041 -249.352 107.578 33.5253 -110.337 -245.98 -194.483 -92.1401 PRESSAVG: 4922000 2.72395 57.9725 34.1534 57.9725 6.48482 -12.9728 34.1534 -12.9729 -39.3185 GPRESSAVG: 4922000 1.91693 57.8926 33.1412 56.5881 6.35836 -13.5247 34.3282 -12.7864 -38.7095 TIMING: 4922000 CPU: 14776.5, 0.00298904/step Wall: 14776.5, 0.00298904/step, 0.0647626 hours remaining, 209.691406 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: 4922000 733.6291 2139.8020 1919.4781 107.0068 -206212.5727 17607.3795 0.0000 0.0000 34243.6353 -149461.6420 299.0582 -183705.2773 -149368.1232 298.1984 -33.6584 -2.6898 556823.5372 -10.0366 -10.1447 PRESSURE: 4922200 -9.19238 -48.6812 -79.1693 -48.6807 -84.3349 -85.5403 -79.169 -85.5411 -134.555 GPRESSURE: 4922200 3.38622 -96.312 -143.758 -38.7556 -36.5 -32.9292 -27.1627 -76.0458 -112.588 PRESSAVG: 4922200 -19.8099 92.7475 -0.737604 92.7476 -35.2602 -48.7864 -0.737637 -48.7864 63.8675 GPRESSAVG: 4922200 -19.9221 92.3593 0.646877 94.2929 -34.1482 -48.6703 -0.962709 -48.7255 63.0664 TIMING: 4922200 CPU: 14777.1, 0.00298089/step Wall: 14777.1, 0.00298089/step, 0.0644202 hours remaining, 209.691406 MB of memory in use. ENERGY: 4922200 740.7959 2051.9367 1960.1871 115.4616 -206183.1973 17795.9209 0.0000 0.0000 34039.7512 -149479.1439 297.2776 -183518.8951 -149372.4309 298.6419 -76.0274 -48.5674 558995.9918 2.9324 2.9987 PRESSURE: 4922400 31.0076 31.2669 110.832 31.2672 -15.6061 64.9529 110.832 64.9542 -21.0179 GPRESSURE: 4922400 69.9848 50.4915 91.4935 24.1247 -26.2384 -26.461 118.494 89.1101 36.6366 PRESSAVG: 4922400 6.10758 14.1293 -44.1537 14.1293 61.112 45.6472 -44.1538 45.6472 -38.4285 GPRESSAVG: 4922400 5.30265 14.7509 -43.2276 14.9825 62.0211 44.979 -46.0301 45.4017 -38.0337 TIMING: 4922400 CPU: 14777.7, 0.00297397/step Wall: 14777.7, 0.00297397/step, 0.0641055 hours remaining, 209.691406 MB of memory in use. ENERGY: 4922400 763.6537 2052.8517 1939.4726 113.1146 -206537.5089 17947.6242 0.0000 0.0000 34246.8390 -149473.9530 299.0862 -183720.7920 -149380.1998 298.2561 -1.8721 26.7943 557254.4207 9.5971 9.7633 PRESSURE: 4922600 -82.9612 -26.1849 -53.0976 -26.1845 -129.086 -58.7573 -53.0998 -58.7571 140.562 GPRESSURE: 4922600 -24.9742 -22.3621 -74.305 -3.80147 -139.461 -30.0391 -33.2983 -102.558 194.237 PRESSAVG: 4922600 10.8595 21.936 10.6413 21.9361 11.2964 -26.739 10.6413 -26.739 -2.35675 GPRESSAVG: 4922600 11.0148 20.9881 10.6671 20.4867 10.1227 -24.4745 12.3596 -27.2595 -1.51298 TIMING: 4922600 CPU: 14778.3, 0.00297857/step Wall: 14778.3, 0.00297857/step, 0.0640392 hours remaining, 209.691406 MB of memory in use. ENERGY: 4922600 758.5666 2024.0339 1933.0693 115.1106 -206085.5036 17738.7653 0.0000 0.0000 34224.3463 -149291.6115 298.8897 -183515.9579 -149191.2653 298.4214 -23.8284 9.9339 557730.3934 6.5997 6.5415 PRESSURE: 4922800 -35.877 77.5809 -48.1573 77.5807 90.4047 23.844 -48.1567 23.8429 118.239 GPRESSURE: 4922800 38.1595 111.597 -10.6547 53.5129 113.068 -17.6091 -124.286 77.3934 125.506 PRESSAVG: 4922800 -72.3428 -16.3959 17.2461 -16.396 28.0327 -29.4378 17.2462 -29.4379 -14.7638 GPRESSAVG: 4922800 -71.8145 -16.4603 16.532 -15.0292 28.5972 -32.7251 16.7556 -28.8483 -15.8073 TIMING: 4922800 CPU: 14778.9, 0.00298448/step Wall: 14778.9, 0.00298448/step, 0.0640005 hours remaining, 209.691406 MB of memory in use. ENERGY: 4922800 716.7297 2006.5172 1942.7055 117.7214 -206111.6296 17879.4390 0.0000 0.0000 34250.6065 -149197.9102 299.1191 -183448.5167 -149102.7134 299.4602 57.5888 92.2447 557315.0884 -19.6913 -19.6749 PRESSURE: 4923000 200.344 -46.6921 67.4257 -46.6933 189.683 123.617 67.4254 123.619 -331.903 GPRESSURE: 4923000 204.426 -40.0354 -29.4257 -26.5763 262.548 156.416 136.016 126.853 -318.214 PRESSAVG: 4923000 -2.05978 -6.85573 0.446598 -6.85569 12.1472 43.8483 0.446641 43.8483 -34.7888 GPRESSAVG: 4923000 -1.99069 -4.43938 2.53745 -8.77287 12.7343 43.4582 0.146435 43.5783 -35.5287 TIMING: 4923000 CPU: 14779.5, 0.00297723/step Wall: 14779.5, 0.00297723/step, 0.0636796 hours remaining, 209.691406 MB of memory in use. ENERGY: 4923000 730.9853 2045.3577 1933.8586 120.4814 -206172.5146 17775.1629 0.0000 0.0000 34289.7885 -149276.8803 299.4613 -183566.6687 -149183.6462 298.8527 19.3746 49.5867 557588.5778 -8.2338 -8.2617 PRESSURE: 4923200 -68.9131 -108.631 8.7211 -108.629 -66.209 160.75 8.72261 160.75 32.8713 GPRESSURE: 4923200 -47.2093 -115.136 -16.8611 -114.22 -45.6391 97.3001 -0.853978 196.04 94.3017 PRESSAVG: 4923200 4.34648 -71.8463 20.0156 -71.8462 28.3583 40.7392 20.0156 40.7391 -25.6078 GPRESSAVG: 4923200 5.33311 -71.6296 19.0465 -71.1418 28.2971 43.035 20.6079 40.5516 -25.9744 TIMING: 4923200 CPU: 14780.1, 0.00297921/step Wall: 14780.1, 0.00297921/step, 0.0635565 hours remaining, 209.691406 MB of memory in use. ENERGY: 4923200 730.9678 2049.7741 1930.2218 111.3737 -206022.7808 17739.7057 0.0000 0.0000 34139.5401 -149321.1975 298.1491 -183460.7376 -149227.2576 298.6280 -34.0836 0.4844 556508.7661 2.3657 2.5519 PRESSURE: 4923400 -47.1554 59.0338 56.7694 59.034 40.6918 149.719 56.7712 149.721 166.729 GPRESSURE: 4923400 -31.9691 6.82852 38.8617 26.6846 54.3261 181.667 110.395 137.345 242.702 PRESSAVG: 4923400 -21.9109 -53.4986 -27.0625 -53.4986 13.8264 21.2752 -27.0626 21.2752 22.667 GPRESSAVG: 4923400 -20.9442 -54.7391 -29.1736 -53.9373 12.7686 22.2179 -25.6723 19.8584 22.8412 TIMING: 4923400 CPU: 14780.7, 0.00296566/step Wall: 14780.7, 0.00296566/step, 0.0631027 hours remaining, 209.691406 MB of memory in use. ENERGY: 4923400 741.4767 2065.4484 1927.9508 110.7977 -206090.4577 17974.3338 0.0000 0.0000 34201.0926 -149069.3577 298.6866 -183270.4503 -148978.2492 299.2749 53.4219 88.3529 557736.1089 4.8608 4.8886 PRESSURE: 4923600 -90.428 64.4981 -54.4276 64.4966 -340.45 -7.96875 -54.4276 -7.96716 -49.3983 GPRESSURE: 4923600 -91.5314 110.468 -90.7959 129.819 -266.258 -18.8 -58.564 53.7917 -33.4067 PRESSAVG: 4923600 25.2646 -1.00917 -7.04325 -1.00908 -49.3324 37.407 -7.04327 37.407 -45.3381 GPRESSAVG: 4923600 23.2456 -3.21713 -6.22962 0.5236 -46.9793 37.4182 -6.86693 38.1248 -45.6726 TIMING: 4923600 CPU: 14781.3, 0.00296224/step Wall: 14781.3, 0.00296224/step, 0.0628654 hours remaining, 209.691406 MB of memory in use. ENERGY: 4923600 748.5088 2046.0128 1937.9547 102.2862 -205640.2230 17507.6648 0.0000 0.0000 34352.0067 -148945.7890 300.0046 -183297.7957 -148842.1630 299.5950 -160.0920 -130.3986 558841.5293 -23.1353 -23.1354 PRESSURE: 4923800 -244.526 17.9809 70.8503 17.9812 126.403 140.648 70.8495 140.648 35.5639 GPRESSURE: 4923800 -190.012 42.2425 186.133 -36.6768 198.008 90.288 1.40114 83.5711 -2.44151 PRESSAVG: 4923800 -23.4367 -22.5018 7.5591 -22.5019 68.5921 13.459 7.55903 13.4589 -0.529996 GPRESSAVG: 4923800 -22.3248 -21.8612 8.18199 -22.5309 67.7893 12.8714 5.45148 11.6623 -0.0746979 TIMING: 4923800 CPU: 14781.9, 0.00295235/step Wall: 14781.9, 0.00295235/step, 0.0624914 hours remaining, 209.691406 MB of memory in use. ENERGY: 4923800 752.1641 2035.7982 1931.9659 101.7663 -205722.9184 17841.7186 0.0000 0.0000 34442.6985 -148616.8068 300.7967 -183059.5054 -148519.6989 300.3489 -27.5199 1.8516 560366.7105 14.8751 15.1299 PRESSURE: 4924000 19.1357 -29.8306 45.7208 -29.8308 -111.276 86.0045 45.7226 86.0038 -56.2583 GPRESSURE: 4924000 78.0208 -74.3586 -80.7615 -34.2402 -67.3923 -20.2662 60.3854 132.82 -60.7696 PRESSAVG: 4924000 -9.4376 -50.8533 -9.68839 -50.8533 14.9211 -39.6296 -9.68842 -39.6296 -36.4571 GPRESSAVG: 4924000 -8.77966 -48.8924 -9.96325 -51.1852 14.2629 -39.801 -9.85403 -38.2998 -36.1777 TIMING: 4924000 CPU: 14782.5, 0.00299529/step Wall: 14782.5, 0.00299529/step, 0.0632339 hours remaining, 209.691406 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: 4924000 749.4104 2055.7285 1965.9351 107.3134 -205674.3060 17746.4830 0.0000 0.0000 34472.0177 -148577.4179 301.0527 -183049.4356 -148485.4999 301.0222 -49.4661 -16.7137 558781.8592 -10.3246 -10.2315 PRESSURE: 4924200 62.9297 22.5219 84.2408 22.5215 253.098 -115.27 84.2416 -115.27 141.666 GPRESSURE: 4924200 67.9443 36.4665 85.1953 -1.27347 281.174 -192.936 72.6935 -11.0566 204.838 PRESSAVG: 4924200 26.4207 28.9203 -35.6288 28.9204 -56.3814 -58.2504 -35.6288 -58.2504 18.256 GPRESSAVG: 4924200 25.6421 28.0748 -35.3612 28.5603 -56.0265 -57.287 -37.1693 -56.813 19.0587 TIMING: 4924200 CPU: 14783.1, 0.0029731/step Wall: 14783.1, 0.0029731/step, 0.0626002 hours remaining, 209.691406 MB of memory in use. ENERGY: 4924200 738.8325 2122.1339 1925.9160 106.4367 -206043.6320 18015.9864 0.0000 0.0000 34608.1468 -148526.1798 302.2416 -183134.3265 -148431.8990 301.4096 152.5644 184.6520 557764.7994 -3.9016 -3.7752 LDB: ============= START OF LOAD BALANCING ============== 14786.6 LDB: ============== END OF LOAD BALANCING =============== 14786.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14786.6 LDB: ============= START OF LOAD BALANCING ============== 14786.9 LDB: Largest compute 4796 load 0.026918 is 22.8% of average load 0.118233 LDB: Average compute 0.001718 is 1.5% of average load 0.118233 LDB: TIME 14786.9 LOAD: AVG 0.118233 MAX 0.211284 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.234 MB LDB: TIME 14786.9 LOAD: AVG 0.118233 MAX 0.211284 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.438 MB LDB: TIME 14786.9 LOAD: AVG 0.118233 MAX 0.211284 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.438 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14786.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14786.9 PRESSURE: 4924400 108.529 -62.978 91.5046 -62.977 172.303 -113.004 91.5047 -113.004 174.563 GPRESSURE: 4924400 129.37 -64.3152 99.4342 -88.3235 149.394 -208.675 87.9514 -130.468 259.914 PRESSAVG: 4924400 -75.7228 -0.380063 31.7181 -0.38011 7.51179 -6.34629 31.7182 -6.34626 35.6663 GPRESSAVG: 4924400 -75.2125 -1.19292 32.6027 -0.855137 7.55339 -8.65775 31.9789 -7.66928 35.2409 TIMING: 4924400 CPU: 14783.7, 0.00304781/step Wall: 14783.7, 0.00304781/step, 0.064004 hours remaining, 208.261719 MB of memory in use. ENERGY: 4924400 710.1587 2052.3540 1958.6419 108.4581 -206300.4107 18009.5844 0.0000 0.0000 34788.0932 -148673.1204 303.8131 -183461.2136 -148573.3846 301.1445 151.7982 179.5593 556802.4027 -10.8482 -10.8061 PRESSURE: 4924600 73.2624 200.597 93.531 200.596 -105.913 55.1741 93.5317 55.1731 -330.661 GPRESSURE: 4924600 62.4377 206.818 161.268 242.225 -50.9733 151.403 78.3575 7.90492 -288.267 PRESSAVG: 4924600 -53.403 13.2421 46.7571 13.242 35.1396 -8.59253 46.7571 -8.59259 12.1507 GPRESSAVG: 4924600 -53.6811 13.8899 44.6882 15.7495 35.4919 -6.72931 49.9099 -7.54501 11.6275 TIMING: 4924600 CPU: 14784.3, 0.0029918/step Wall: 14784.3, 0.00299179/step, 0.0626615 hours remaining, 208.667969 MB of memory in use. ENERGY: 4924600 696.4985 2079.5138 1933.5765 124.5905 -205175.3496 17433.2116 0.0000 0.0000 34143.0681 -148764.8907 298.1799 -182907.9587 -148666.8644 300.3964 -121.1038 -92.2676 558719.9048 -2.0376 -2.1872 PRESSURE: 4924800 -348.48 150.439 8.07 150.439 -246.844 -47.2124 8.07102 -47.2127 -178.509 GPRESSURE: 4924800 -278.031 149.252 6.47637 130.052 -236.619 13.4485 -16.2858 -108.296 -156.397 PRESSAVG: 4924800 1.41526 23.1566 14.4401 23.1567 48.8823 -42.3456 14.4401 -42.3455 -75.0937 GPRESSAVG: 4924800 2.43652 24.1892 16.3275 21.0641 47.9527 -44.2965 11.9729 -43.3017 -74.7832 TIMING: 4924800 CPU: 14784.9, 0.00299005/step Wall: 14784.9, 0.00299005/step, 0.0624589 hours remaining, 208.667969 MB of memory in use. ENERGY: 4924800 718.1660 2001.5702 1956.3302 111.1726 -205672.8590 17419.6744 0.0000 0.0000 34666.2678 -148799.6779 302.7491 -183465.9457 -148704.8819 300.9567 -257.9441 -223.6822 558644.7365 -8.2654 -8.1313 PRESSURE: 4925000 -55.4267 169.384 109.161 169.385 27.8571 187.649 109.16 187.65 -155.921 GPRESSURE: 4925000 -27.1837 118.16 66.5316 128.741 37.136 120.382 116.653 226.023 -108.701 PRESSAVG: 4925000 10.6857 58.9907 17.9143 58.9907 44.709 -13.8099 17.9142 -13.81 -37.0684 GPRESSAVG: 4925000 10.0431 56.5616 16.8945 58.9781 45.7565 -12.6709 17.2836 -15.2617 -37.4521 TIMING: 4925000 CPU: 14785.5, 0.00301549/step Wall: 14785.5, 0.00301549/step, 0.0628228 hours remaining, 208.667969 MB of memory in use. ENERGY: 4925000 749.6573 2121.3675 1905.0415 107.2447 -205855.4435 17710.5949 0.0000 0.0000 34327.9686 -148933.5691 299.7947 -183261.5378 -148839.7350 300.6320 -61.1634 -32.9163 558292.8439 6.1088 6.1158 PRESSURE: 4925200 -206.152 26.663 -124.917 26.6643 -196.49 -22.0024 -124.917 -22.0029 4.84077 GPRESSURE: 4925200 -200.878 36.8364 -42.4516 12.5206 -112.837 51.1494 -142.855 -63.0896 14.2467 PRESSAVG: 4925200 -28.8035 3.38063 -31.9052 3.38064 -16.1454 -63.1192 -31.9051 -63.1192 75.4348 GPRESSAVG: 4925200 -29.6854 3.21765 -29.6896 3.70316 -15.7175 -65.4539 -30.9431 -59.3415 76.4789 TIMING: 4925200 CPU: 14786.1, 0.00300878/step Wall: 14786.1, 0.00300878/step, 0.0625158 hours remaining, 208.667969 MB of memory in use. ENERGY: 4925200 748.3480 2057.5810 1959.1796 117.1320 -205904.3533 17744.2508 0.0000 0.0000 34281.4795 -148996.3825 299.3887 -183277.8619 -148899.9107 300.1628 -132.6003 -99.8229 559304.4697 10.1620 10.3587 PRESSURE: 4925400 28.177 -29.694 194.558 -29.6928 -122.548 -66.7551 194.558 -66.7547 -20.7363 GPRESSURE: 4925400 11.922 34.3468 192.096 -62.6937 -71.4628 -79.9575 205.244 -76.991 44.0194 PRESSAVG: 4925400 -2.94246 -3.04881 16.0612 -3.04876 14.2395 -36.8515 16.061 -36.8514 -19.626 GPRESSAVG: 4925400 -2.4562 -2.11463 15.0773 -3.18976 13.719 -34.2045 15.2449 -40.0038 -19.3019 TIMING: 4925400 CPU: 14786.7, 0.00301853/step Wall: 14786.7, 0.00301853/step, 0.0625507 hours remaining, 208.667969 MB of memory in use. ENERGY: 4925400 731.0878 2108.5003 1928.8283 114.2008 -205999.5542 17709.3916 0.0000 0.0000 34396.1602 -149011.3851 300.3902 -183407.5454 -148918.0127 299.5642 -38.3691 -5.1738 559499.2841 -2.7763 -2.6797 PRESSURE: 4925600 -323.7 -318.11 93.4175 -318.109 -74.9651 -62.7788 93.4169 -62.7783 -211.059 GPRESSURE: 4925600 -291.281 -303.78 84.8808 -267.849 -34.1157 -121.538 114.45 48.9903 -193.818 PRESSAVG: 4925600 -53.4264 -7.66207 1.65582 -7.66201 73.4723 6.33968 1.65573 6.33965 11.9721 GPRESSAVG: 4925600 -53.5869 -6.93907 0.337101 -6.80465 73.6067 7.43963 2.1987 7.06906 12.3159 TIMING: 4925600 CPU: 14787.3, 0.00303855/step Wall: 14787.3, 0.00303855/step, 0.0627967 hours remaining, 208.667969 MB of memory in use. ENERGY: 4925600 734.2707 2106.0729 1941.3463 115.3812 -205816.6053 17584.1292 0.0000 0.0000 34318.2319 -149017.1730 299.7097 -183335.4049 -148918.7626 299.9922 -203.2414 -173.0716 560150.2865 10.6726 10.7786 PRESSURE: 4925800 226.18 24.8241 95.0056 24.8246 -203.429 -105.173 95.0064 -105.175 -102.515 GPRESSURE: 4925800 204.138 39.4841 140.127 -0.0177737 -155.468 -147.505 47.9229 -160.404 -28.1442 PRESSAVG: 4925800 10.6919 -61.4482 -2.03854 -61.4482 -53.2613 -31.5638 -2.03851 -31.5638 -12.6227 GPRESSAVG: 4925800 10.408 -62.6718 -1.34476 -61.6561 -52.3044 -33.8227 -1.23705 -31.7042 -13.3317 TIMING: 4925800 CPU: 14787.9, 0.00300106/step Wall: 14787.9, 0.00300106/step, 0.0618552 hours remaining, 208.667969 MB of memory in use. ENERGY: 4925800 740.1523 2075.0954 1966.9412 110.1395 -206020.2856 17730.8221 0.0000 0.0000 34429.3325 -148967.8024 300.6799 -183397.1349 -148867.0554 299.8768 -26.5878 6.8419 558935.2811 -18.3973 -18.4093 PRESSURE: 4926000 218.451 -54.6777 52.9009 -54.6783 -189.806 137.923 52.9004 137.923 156.847 GPRESSURE: 4926000 279.236 -93.8529 94.0977 -26.227 -149.551 176.987 33.8478 90.538 143.786 PRESSAVG: 4926000 57.1667 16.6437 13.2129 16.6438 1.59009 -30.6295 13.213 -30.6295 -92.5514 GPRESSAVG: 4926000 56.7868 16.045 13.5671 16.3792 0.885799 -30.301 11.7014 -30.3077 -91.1819 TIMING: 4926000 CPU: 14788.5, 0.00299319/step Wall: 14788.5, 0.00299319/step, 0.0615268 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: 4926000 725.9060 2094.2137 1902.5274 106.0874 -206276.1418 17876.2683 0.0000 0.0000 34441.2128 -149129.9262 300.7837 -183571.1390 -149032.4593 300.3143 61.8309 91.1569 557250.9042 -11.2649 -11.1698 PRESSURE: 4926200 193.722 -4.74319 -120.053 -4.74363 109.777 64.7666 -120.053 64.7675 -64.6654 GPRESSURE: 4926200 239.957 33.9317 -65.1521 -21.6827 101.601 80.2047 -88.5421 7.70755 -5.44945 PRESSAVG: 4926200 95.8798 19.3622 -60.4868 19.3623 -29.4935 -38.9972 -60.4869 -38.9971 -18.3238 GPRESSAVG: 4926200 95.3141 19.4337 -60.9733 18.8203 -29.8439 -38.774 -60.4065 -41.0586 -17.6785 TIMING: 4926200 CPU: 14789.1, 0.00298904/step Wall: 14789.1, 0.00298904/step, 0.0612753 hours remaining, 208.667969 MB of memory in use. ENERGY: 4926200 724.8016 2085.8010 1934.2860 103.8183 -205943.5058 17901.0881 0.0000 0.0000 34210.3680 -148983.3429 298.7677 -183193.7108 -148893.7334 300.0615 79.6114 112.0359 558121.6616 16.0208 15.9306 PRESSURE: 4926400 -267.3 124.95 -60.4408 124.95 11.2608 -22.1582 -60.4403 -22.1579 -67.4901 GPRESSURE: 4926400 -283.406 133.387 -90.6423 136.108 71.0003 4.25838 -45.4089 27.8983 -20.3718 PRESSAVG: 4926400 -38.5153 17.9879 10.5116 17.9879 52.8974 -25.6758 10.5116 -25.6758 -23.7204 GPRESSAVG: 4926400 -37.3528 19.1899 10.4801 17.6312 53.0535 -26.0578 12.3596 -24.321 -25.3758 TIMING: 4926400 CPU: 14789.7, 0.00299045/step Wall: 14789.7, 0.00299045/step, 0.0611381 hours remaining, 208.667969 MB of memory in use. ENERGY: 4926400 766.0221 2077.7728 1943.2397 106.1707 -205725.0551 17570.8078 0.0000 0.0000 34355.7718 -148905.2702 300.0375 -183261.0420 -148809.6925 300.1628 -107.8432 -77.5926 557587.9339 -3.1128 -3.2250 PRESSURE: 4926600 -426.23 -125.742 163.066 -125.743 256.739 6.57032 163.065 6.57059 35.4519 GPRESSURE: 4926600 -338.17 -19.9006 130.743 -126.496 271.302 -6.37307 195.224 -17.7957 44.4274 PRESSAVG: 4926600 -27.1432 0.533938 -19.6473 0.533899 25.9289 16.6824 -19.6473 16.6822 36.1459 GPRESSAVG: 4926600 -26.7673 -0.908269 -20.6881 1.12384 25.0939 15.9642 -20.1164 18.1408 36.9107 TIMING: 4926600 CPU: 14790.3, 0.00295862/step Wall: 14790.3, 0.00295862/step, 0.0603229 hours remaining, 208.667969 MB of memory in use. ENERGY: 4926600 763.7599 1996.4564 1971.8169 114.0285 -205815.4109 17720.7198 0.0000 0.0000 34364.1916 -148884.4378 300.1110 -183248.6293 -148785.7395 299.3067 -44.6797 -7.4803 557163.1689 11.6439 11.7458 PRESSURE: 4926800 -44.7551 -77.4742 11.8659 -77.4743 -66.8333 -168.056 11.8657 -168.056 82.6669 GPRESSURE: 4926800 1.4032 -58.1631 17.6851 -115.294 -30.2675 -206.702 29.9068 -207.74 90.2048 PRESSAVG: 4926800 -30.2636 -1.52318 -33.0216 -1.52319 -4.23025 13.0937 -33.0217 13.0936 69.3102 GPRESSAVG: 4926800 -30.5454 0.381692 -29.8569 -2.54306 -4.02409 15.2076 -35.7275 11.6088 69.0382 TIMING: 4926800 CPU: 14790.9, 0.00293932/step Wall: 14790.9, 0.00293932/step, 0.0597661 hours remaining, 208.667969 MB of memory in use. ENERGY: 4926800 774.0582 2131.3172 1936.0323 108.7596 -205762.1997 17758.9478 0.0000 0.0000 34291.2791 -148761.8055 299.4743 -183053.0846 -148666.4927 300.3382 -9.6405 20.4468 557892.3895 11.6055 11.4896 PRESSURE: 4927000 -34.5521 45.6974 0.695876 45.6973 -62.3988 -51.1256 0.69487 -51.1258 151.441 GPRESSURE: 4927000 -98.7792 55.2017 -5.03954 47.6554 21.8083 -50.9124 -21.9853 -102.544 233.53 PRESSAVG: 4927000 -16.0914 26.9032 -18.5928 26.9033 31.3266 -13.9073 -18.5928 -13.9073 -61.0072 GPRESSAVG: 4927000 -17.2045 28.0262 -20.5802 25.4934 31.6223 -15.2746 -18.4045 -14.3674 -60.0369 TIMING: 4927000 CPU: 14791.5, 0.00295252/step Wall: 14791.5, 0.00295252/step, 0.0598705 hours remaining, 208.667969 MB of memory in use. ENERGY: 4927000 733.3551 2110.2198 1963.8191 113.4121 -205918.6149 17767.6117 0.0000 0.0000 34449.3027 -148780.8944 300.8543 -183230.1971 -148683.9927 300.0634 18.1634 52.1862 557155.7290 -15.2573 -15.2064 PRESSURE: 4927200 34.3072 37.5573 -26.2312 37.5584 -20.0155 -24.263 -26.2295 -24.2637 -192.243 GPRESSURE: 4927200 90.836 -35.938 -51.9247 169.44 -16.1921 -62.4481 4.80393 29.7356 -147.51 PRESSAVG: 4927200 15.3708 -5.2962 27.0766 -5.29617 9.46018 -25.4943 27.0767 -25.4943 28.7758 GPRESSAVG: 4927200 16.7933 -6.03707 26.3527 -2.71959 8.63256 -24.8266 29.5159 -25.093 28.2232 TIMING: 4927200 CPU: 14792.1, 0.00300155/step Wall: 14792.1, 0.00300155/step, 0.060698 hours remaining, 208.667969 MB of memory in use. ENERGY: 4927200 771.0395 2082.9416 1911.7865 104.5207 -206279.8884 17858.2559 0.0000 0.0000 34672.1329 -148879.2114 302.8004 -183551.3443 -148788.4316 300.0116 -59.3170 -24.2886 557268.3850 17.8690 17.8830 PRESSURE: 4927400 -203.793 67.6433 92.4939 67.6432 -217.115 -32.7602 92.4935 -32.7585 -352.659 GPRESSURE: 4927400 -184.596 89.565 108.87 112.771 -150.861 -187.376 158.601 67.8386 -343.675 PRESSAVG: 4927400 18.4258 51.624 16.1333 51.6241 -0.224383 49.2502 16.1332 49.2502 3.25209 GPRESSAVG: 4927400 18.0542 49.2652 17.3798 51.4997 0.566499 47.7978 15.9707 48.6497 2.70134 TIMING: 4927400 CPU: 14792.7, 0.00298247/step Wall: 14792.7, 0.00298247/step, 0.0601464 hours remaining, 208.667969 MB of memory in use. ENERGY: 4927400 742.9768 2052.3334 1960.7615 102.0817 -205700.5830 17565.2370 0.0000 0.0000 34516.0456 -148761.1470 301.4372 -183277.1927 -148660.0196 300.8071 -257.8554 -226.3774 559585.5835 7.1512 7.1074 PRESSURE: 4927600 127.664 -61.9902 19.8627 -61.9896 -87.3294 -58.5212 19.8625 -58.5226 -57.3372 GPRESSURE: 4927600 159.823 8.42203 -51.671 -80.3146 -67.2565 -146.179 -23.6637 -72.4098 -23.8811 PRESSAVG: 4927600 13.0737 -32.2111 -5.62845 -32.2111 -3.6928 -10.8325 -5.62833 -10.8325 18.9527 GPRESSAVG: 4927600 13.8418 -30.8863 -7.10425 -32.673 -4.03075 -10.9757 -4.86906 -11.9398 18.4236 TIMING: 4927600 CPU: 14793.3, 0.00297951/step Wall: 14793.3, 0.00297951/step, 0.0599212 hours remaining, 208.667969 MB of memory in use. ENERGY: 4927600 755.9780 2056.1862 1969.1738 98.9143 -206087.1975 17801.8680 0.0000 0.0000 34583.2778 -148821.7994 302.0244 -183405.0772 -148724.7570 300.6177 -5.6674 22.8952 557033.6887 9.4445 9.4116 PRESSURE: 4927800 -6.86514 131.716 19.2804 131.715 -416.848 88.6573 19.2817 88.659 -38.4414 GPRESSURE: 4927800 25.5868 195.148 3.15732 45.4409 -358.813 84.2397 -76.8256 128.279 -34.9429 PRESSAVG: 4927800 36.0662 -31.4217 37.9982 -31.4217 -68.0906 -16.7916 37.9982 -16.7915 46.3338 GPRESSAVG: 4927800 35.2055 -31.0643 38.9117 -31.465 -67.8525 -16.0947 37.2785 -13.2051 46.683 TIMING: 4927800 CPU: 14793.9, 0.00297223/step Wall: 14793.9, 0.00297223/step, 0.0596097 hours remaining, 208.667969 MB of memory in use. ENERGY: 4927800 767.2819 2093.4406 1950.6254 119.0115 -205738.9978 17560.9551 0.0000 0.0000 34471.5557 -148776.1278 301.0487 -183247.6834 -148670.3503 300.7723 -154.0514 -122.7231 557849.8602 4.7698 4.6787 PRESSURE: 4928000 -6.14386 -71.2484 -28.1639 -71.2484 114.86 56.1929 -28.1642 56.1951 33.1375 GPRESSURE: 4928000 4.54584 -45.6795 5.44535 -125.259 136.772 75.7403 -26.4466 56.9288 93.0678 PRESSAVG: 4928000 78.3167 -6.53324 -0.0674956 -6.53323 -44.4675 8.17971 -0.0675627 8.17975 -17.4133 GPRESSAVG: 4928000 79.9676 -6.72998 -1.01952 -7.44598 -44.9757 8.00651 0.466018 6.22873 -18.0289 TIMING: 4928000 CPU: 14794.5, 0.00301829/step Wall: 14794.5, 0.00301829/step, 0.0603659 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: 4928000 734.1779 2094.9695 1913.9831 107.2611 -205993.1339 17867.7024 0.0000 0.0000 34365.1851 -148909.8548 300.1197 -183275.0399 -148823.5564 300.7332 47.2846 78.1285 559177.1198 5.4786 5.6543 PRESSURE: 4928200 220.601 7.20665 123.463 7.20639 74.4289 -78.6767 123.464 -78.6774 -185.066 GPRESSURE: 4928200 254.716 -35.9658 185.878 77.0483 125.149 -109.895 166.695 -65.379 -183.07 PRESSAVG: 4928200 -27.4237 0.588746 8.29618 0.588705 -11.2452 -18.1761 8.29615 -18.1761 4.40081 GPRESSAVG: 4928200 -29.7416 -0.641336 10.3025 2.67367 -9.82396 -16.9349 5.38879 -17.1614 5.352 TIMING: 4928200 CPU: 14795.1, 0.00300849/step Wall: 14795.1, 0.00300849/step, 0.0600027 hours remaining, 208.667969 MB of memory in use. ENERGY: 4928200 734.0979 2119.6714 1933.3419 122.2669 -206005.8720 17821.3834 0.0000 0.0000 34459.4189 -148815.6916 300.9427 -183275.1105 -148721.4724 300.3702 36.6547 65.5982 558773.4183 -11.4227 -11.4045 LDB: ============= START OF LOAD BALANCING ============== 14798.6 LDB: ============== END OF LOAD BALANCING =============== 14798.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14798.6 LDB: ============= START OF LOAD BALANCING ============== 14798.9 LDB: Largest compute 4773 load 0.027728 is 23.5% of average load 0.118160 LDB: Average compute 0.001725 is 1.5% of average load 0.118160 LDB: TIME 14798.9 LOAD: AVG 0.11816 MAX 0.211741 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.516 MB LDB: TIME 14798.9 LOAD: AVG 0.11816 MAX 0.211741 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.75 MB LDB: TIME 14798.9 LOAD: AVG 0.11816 MAX 0.211741 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.75 MB LDB: ============== END OF LOAD BALANCING =============== 14798.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14798.9 PRESSURE: 4928400 49.735 110.508 182.331 110.508 47.9963 -102.81 182.331 -102.811 48.2296 GPRESSURE: 4928400 42.929 103.918 132.909 78.0211 102.078 -56.6969 172.227 -144.237 105.354 PRESSAVG: 4928400 48.9781 15.7569 18.3507 15.757 -50.4262 -35.9984 18.3507 -35.9985 -4.23016 GPRESSAVG: 4928400 48.9944 14.4041 15.7928 15.5792 -49.8549 -36.186 20.006 -36.6695 -4.16444 TIMING: 4928400 CPU: 14795.7, 0.00306108/step Wall: 14795.7, 0.00306108/step, 0.0608814 hours remaining, 208.523438 MB of memory in use. ENERGY: 4928400 752.6359 2090.8012 1953.4056 123.5216 -205846.7240 17792.1432 0.0000 0.0000 34128.5376 -149005.6789 298.0530 -183134.2166 -148918.3499 300.1095 48.6536 83.4535 557504.1165 -1.8927 -1.6750 PRESSURE: 4928600 127.062 -56.1583 86.572 -56.1602 72.8088 -112.664 86.5728 -112.665 105.866 GPRESSURE: 4928600 134.838 -120.956 44.819 -50.6945 102.963 34.6287 107.819 -174.546 157.481 PRESSAVG: 4928600 -2.35646 -20.1935 0.0453508 -20.1935 -10.7647 -65.9609 0.0454268 -65.9609 40.3073 GPRESSAVG: 4928600 -0.488955 -18.5037 1.84124 -21.0815 -12.3217 -67.6407 -0.91312 -64.0577 39.7633 TIMING: 4928600 CPU: 14796.3, 0.00300694/step Wall: 14796.3, 0.00300694/step, 0.0596376 hours remaining, 208.523438 MB of memory in use. ENERGY: 4928600 745.3738 2095.5026 1930.0007 114.6365 -206588.8652 18179.0840 0.0000 0.0000 34524.1635 -149000.1040 301.5081 -183524.2675 -148899.2031 299.4403 101.9122 131.7608 558938.0766 9.0620 8.9842 PRESSURE: 4928800 -146.039 169.453 -88.3557 169.453 -106.079 -54.3835 -88.3558 -54.3845 -111.952 GPRESSURE: 4928800 -155.286 107.818 -112.389 309.936 -35.2378 32.5061 -19.4916 -6.05882 -64.8775 PRESSAVG: 4928800 22.9228 11.6922 0.49994 11.6921 -58.8525 -28.3452 0.499976 -28.3452 34.1747 GPRESSAVG: 4928800 23.3718 13.3102 0.114168 10.3634 -58.5617 -25.6924 1.80902 -30.8059 34.1209 TIMING: 4928800 CPU: 14796.9, 0.00299336/step Wall: 14796.9, 0.00299336/step, 0.0592019 hours remaining, 208.523438 MB of memory in use. ENERGY: 4928800 757.1089 2115.4376 1932.1812 115.1846 -205910.4480 17635.0639 0.0000 0.0000 34375.1422 -148980.3296 300.2067 -183355.4717 -148887.5309 299.8419 -121.3568 -85.1336 558239.5327 -0.5850 -0.3563 PRESSURE: 4929000 25.8749 -82.4386 41.3711 -82.4395 37.3917 -5.71448 41.3711 -5.71441 89.0999 GPRESSURE: 4929000 18.2543 -25.7397 7.83981 -78.9257 95.0157 14.5259 65.2367 -28.1741 128.918 PRESSAVG: 4929000 -8.31397 -9.7033 -25.0585 -9.70343 -48.1771 -27.0992 -25.0585 -27.0992 44.2987 GPRESSAVG: 4929000 -9.38184 -10.7156 -26.048 -8.31732 -47.2109 -29.0259 -25.4655 -25.7343 45.2933 TIMING: 4929000 CPU: 14797.5, 0.00301962/step Wall: 14797.5, 0.00301962/step, 0.0595536 hours remaining, 208.523438 MB of memory in use. ENERGY: 4929000 743.5298 2042.5793 1950.2629 122.3550 -205807.1963 17983.2496 0.0000 0.0000 34065.9042 -148899.3155 297.5060 -182965.2197 -148803.3407 300.2293 50.7888 80.7294 558166.1765 -4.0641 -3.7665 PRESSURE: 4929200 -62.6662 -59.3208 -243.928 -59.3204 -55.0528 90.2117 -243.928 90.2121 56.6708 GPRESSURE: 4929200 -111.147 -83.4285 -251.787 24.0115 41.7788 70.0015 -243.974 8.24612 97.6665 PRESSAVG: 4929200 -12.9926 -64.1172 -12.2699 -64.1172 31.6929 -63.8177 -12.2699 -63.8176 16.5019 GPRESSAVG: 4929200 -11.8594 -64.6774 -12.1875 -63.5124 31.0082 -64.8547 -11.4406 -63.2277 15.9906 TIMING: 4929200 CPU: 14798.1, 0.00300099/step Wall: 14798.1, 0.00300099/step, 0.0590195 hours remaining, 208.523438 MB of memory in use. ENERGY: 4929200 726.0445 2047.7569 1934.6141 119.5121 -206176.0961 17963.8064 0.0000 0.0000 34448.7696 -148935.5924 300.8497 -183384.3620 -148843.9897 299.8683 -20.3494 9.4329 556731.5560 11.7341 11.7131 PRESSURE: 4929400 -107.061 -145.781 23.5703 -145.779 -59.6465 33.8089 23.5701 33.8092 186.415 GPRESSURE: 4929400 -87.3029 -87.1699 79.2113 -98.9823 -1.65308 47.1885 -16.7319 37.5681 210.927 PRESSAVG: 4929400 41.1766 15.5033 -10.9075 15.5034 -45.7864 11.4204 -10.9075 11.4204 -0.250297 GPRESSAVG: 4929400 40.4652 14.5722 -10.8404 15.281 -45.945 11.5185 -10.9679 10.8875 0.367697 TIMING: 4929400 CPU: 14798.7, 0.00298535/step Wall: 14798.7, 0.00298535/step, 0.0585461 hours remaining, 208.523438 MB of memory in use. ENERGY: 4929400 756.1572 2072.4734 1951.0295 119.6828 -206134.8130 17853.8387 0.0000 0.0000 34506.5292 -148875.1023 301.3541 -183381.6315 -148780.3281 300.2352 6.5692 40.6569 556237.7423 -1.6201 -1.7040 PRESSURE: 4929600 41.858 -91.8086 27.8105 -91.8083 -172.27 -115.832 27.8106 -115.833 -142.074 GPRESSURE: 4929600 80.0299 -52.2423 160.155 -54.1444 -183.913 -71.343 -124.473 -84.0419 -73.022 PRESSAVG: 4929600 21.4463 11.4648 -26.8175 11.4648 -1.12021 -4.43884 -26.8175 -4.43882 23.361 GPRESSAVG: 4929600 22.6288 14.0319 -26.4025 9.42732 -1.56695 -3.89509 -29.7307 -3.88346 22.6467 TIMING: 4929600 CPU: 14799.3, 0.00299709/step Wall: 14799.3, 0.00299709/step, 0.0586098 hours remaining, 208.523438 MB of memory in use. ENERGY: 4929600 750.8725 2130.3313 1926.8135 123.1473 -205916.6646 17608.9669 0.0000 0.0000 34369.5283 -149007.0048 300.1576 -183376.5331 -148913.7497 300.7076 -90.8287 -58.9685 556846.5465 14.5624 14.5695 PRESSURE: 4929800 -170.409 47.9222 48.9548 47.9216 153.242 -86.6687 48.9552 -86.667 216.715 GPRESSURE: 4929800 -160.174 42.5191 11.6721 8.46138 215.709 -158.189 79.0369 -56.0199 245.828 PRESSAVG: 4929800 -27.0175 -4.66883 59.7287 -4.66884 8.20644 4.20782 59.7287 4.2077 26.3225 GPRESSAVG: 4929800 -28.5346 -5.25489 59.0899 -4.3104 9.20385 2.92729 62.7005 4.20995 26.2874 TIMING: 4929800 CPU: 14799.9, 0.00299578/step Wall: 14799.9, 0.00299578/step, 0.0584178 hours remaining, 208.523438 MB of memory in use. ENERGY: 4929800 746.3434 2075.6722 1977.6273 112.1609 -206496.5318 17939.6254 0.0000 0.0000 34529.5823 -149115.5203 301.5554 -183645.1026 -149013.0484 300.2905 66.5161 100.4543 556847.2617 2.5038 2.3189 PRESSURE: 4930000 204.72 -52.0214 51.1316 -52.0219 75.086 -78.7699 51.1317 -78.7689 -86.3987 GPRESSURE: 4930000 204.171 -111.623 -6.67412 10.0337 70.3067 -35.3762 77.964 -67.6476 12.7947 PRESSAVG: 4930000 -21.2232 -20.5435 1.85443 -20.5435 9.18712 37.3696 1.85449 37.3695 -16.1453 GPRESSAVG: 4930000 -20.566 -22.018 1.49439 -21.1189 9.30913 39.1922 1.14121 35.9941 -16.8265 TIMING: 4930000 CPU: 14800.5, 0.00297256/step Wall: 14800.5, 0.00297256/step, 0.0577998 hours remaining, 208.523438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4930000 746.1515 2094.0506 1943.7030 109.5508 -206323.7000 17871.7326 0.0000 0.0000 34274.8378 -149283.6738 299.3307 -183558.5116 -149187.5487 299.8464 64.4692 95.7573 556468.3450 -9.3938 -9.3611 PRESSURE: 4930200 35.7671 -81.749 -17.3396 -81.7506 -201.749 22.1514 -17.34 22.1509 -253.101 GPRESSURE: 4930200 76.7896 -106.818 8.80869 21.8306 -156.176 -13.6489 -97.9863 106.552 -246.309 PRESSAVG: 4930200 -0.458129 -38.1357 -43.096 -38.1357 5.6204 -31.2443 -43.096 -31.2443 12.0182 GPRESSAVG: 4930200 0.467859 -38.4657 -41.9454 -36.4009 5.70014 -32.4625 -44.7167 -29.5855 11.6156 TIMING: 4930200 CPU: 14801.1, 0.00296338/step Wall: 14801.1, 0.00296338/step, 0.0574566 hours remaining, 208.523438 MB of memory in use. ENERGY: 4930200 775.0099 2059.8766 1960.4920 112.6307 -206086.5983 17685.7519 0.0000 0.0000 34207.6801 -149285.1571 298.7442 -183492.8372 -149186.7911 298.8284 -139.6943 -108.5649 557704.7374 5.7268 5.9279 PRESSURE: 4930400 331.222 90.7423 67.4698 90.7431 -160.616 48.4924 67.4697 48.4916 36.4319 GPRESSURE: 4930400 388.291 54.2685 171.559 44.1168 -170.303 137.645 -36.0301 -53.3125 87.395 PRESSAVG: 4930400 57.849 11.1459 18.24 11.1459 -23.9276 -2.23985 18.24 -2.23997 -12.8657 GPRESSAVG: 4930400 57.8996 11.9522 16.3309 11.3287 -23.8326 -2.7895 19.7593 -3.58162 -12.7502 TIMING: 4930400 CPU: 14801.7, 0.00297041/step Wall: 14801.7, 0.00297041/step, 0.0574279 hours remaining, 208.523438 MB of memory in use. ENERGY: 4930400 757.6211 2086.5902 1941.3476 112.5266 -206119.6076 17961.7126 0.0000 0.0000 34242.3401 -149017.4695 299.0469 -183259.8096 -148922.1951 299.5390 69.0126 101.7941 557260.1159 7.0186 7.1056 PRESSURE: 4930600 -17.4229 -54.8725 108.599 -54.8718 -162.688 -128.222 108.6 -128.223 -42.069 GPRESSURE: 4930600 39.5453 -2.39708 100.769 -29.9611 -120.94 -196.686 116.296 -87.4644 -44.3849 PRESSAVG: 4930600 -3.25969 1.97944 20.5471 1.9795 30.9427 -52.5559 20.5472 -52.5559 -38.1179 GPRESSAVG: 4930600 -4.06927 2.21925 23.0048 2.61406 31.1379 -53.1402 20.2196 -52.7123 -37.1833 TIMING: 4930600 CPU: 14802.2, 0.00297876/step Wall: 14802.2, 0.00297876/step, 0.0574239 hours remaining, 208.523438 MB of memory in use. ENERGY: 4930600 751.4276 2114.1421 1948.6912 111.9157 -206115.4627 17778.4397 0.0000 0.0000 34359.5887 -149051.2577 300.0708 -183410.8464 -148955.0391 300.0035 -74.0600 -41.9264 556942.1970 -3.4783 -3.3716 PRESSURE: 4930800 7.22345 -90.3271 87.167 -90.3272 -169.892 -184.631 87.168 -184.631 -290.725 GPRESSURE: 4930800 8.11507 -24.0932 100.187 -96.9961 -49.8855 -97.4831 33.2284 -227.083 -308.134 PRESSAVG: 4930800 3.56688 -58.1833 23.1074 -58.1833 70.9452 0.162464 23.1074 0.162627 -44.8399 GPRESSAVG: 4930800 4.15631 -58.4649 23.0617 -58.2805 69.9092 2.17732 23.918 1.10776 -44.5502 TIMING: 4930800 CPU: 14802.9, 0.00300201/step Wall: 14802.9, 0.00300201/step, 0.0577054 hours remaining, 208.523438 MB of memory in use. ENERGY: 4930800 763.6230 2088.6668 1966.7615 103.3700 -205642.5213 17590.2996 0.0000 0.0000 34284.9657 -148844.8348 299.4191 -183129.8005 -148748.6383 300.9259 -151.1309 -116.6349 557515.6873 9.8907 9.8384 PRESSURE: 4931000 11.6258 34.7188 -87.3419 34.7187 43.0081 165.707 -87.3423 165.708 162.02 GPRESSURE: 4931000 84.8217 -35.715 -97.1958 -40.4256 14.2526 247.561 -147.215 108.34 215.053 PRESSAVG: 4931000 -18.0985 18.0008 24.9046 18.0008 -24.8717 -40.2084 24.9045 -40.2083 32.9451 GPRESSAVG: 4931000 -18.0706 19.3113 22.7772 17.2399 -24.8651 -40.353 24.2321 -41.3226 32.8392 TIMING: 4931000 CPU: 14803.4, 0.00297421/step Wall: 14803.4, 0.00297421/step, 0.0570056 hours remaining, 208.523438 MB of memory in use. ENERGY: 4931000 761.8103 2135.7169 1919.9246 104.8464 -205869.8755 17790.9875 0.0000 0.0000 34269.4217 -148887.1681 299.2834 -183156.5898 -148794.6272 300.1894 72.2178 104.7090 557310.9117 -3.3417 -3.3655 PRESSURE: 4931200 -147.292 167.135 -54.9784 167.135 -155.642 -45.9992 -54.9776 -45.9991 -180.724 GPRESSURE: 4931200 -107.873 182.898 -8.68767 100.824 -93.9365 -33.1141 -58.2939 -21.3464 -178.779 PRESSAVG: 4931200 21.9865 -48.2716 -22.9054 -48.2716 -19.4347 -4.42137 -22.9054 -4.42143 9.76177 GPRESSAVG: 4931200 23.0273 -48.7137 -21.2058 -49.4526 -20.4531 -4.86335 -22.2074 -2.68296 9.35338 TIMING: 4931200 CPU: 14804, 0.00297091/step Wall: 14804, 0.00297091/step, 0.0567773 hours remaining, 208.523438 MB of memory in use. ENERGY: 4931200 766.0609 2111.5226 1972.8632 117.9488 -205707.7614 17552.1201 0.0000 0.0000 34296.9703 -148890.2755 299.5240 -183187.2458 -148798.9148 299.9639 -161.2197 -126.8627 557932.1087 4.1045 3.9759 PRESSURE: 4931400 -142.355 -87.5343 -23.98 -87.5334 7.66842 52.3282 -23.9811 52.3261 15.7496 GPRESSURE: 4931400 -169.72 -114.313 -81.1754 -28.3719 48.9013 161.623 -113.627 -54.9382 105.142 PRESSAVG: 4931400 -60.5351 -9.71861 20.3952 -9.71865 -3.69903 -22.6578 20.3952 -22.6578 63.1316 GPRESSAVG: 4931400 -60.8732 -10.7346 20.7306 -7.74315 -2.14453 -21.2647 18.8458 -24.8894 61.7897 TIMING: 4931400 CPU: 14804.6, 0.00295076/step Wall: 14804.6, 0.00295076/step, 0.0562283 hours remaining, 208.523438 MB of memory in use. ENERGY: 4931400 761.9671 2023.0907 1985.6326 109.7305 -205856.0017 17635.3144 0.0000 0.0000 34392.6775 -148947.5890 300.3598 -183340.2665 -148851.8373 299.9231 -39.6458 -5.2255 557700.1765 -0.3675 -0.4094 PRESSURE: 4931600 -176.394 36.3014 41.575 36.3015 119.675 70.3357 41.5767 70.3356 517.821 GPRESSURE: 4931600 -167.075 -36.5065 65.3426 119.296 189.9 8.27431 73.251 184.211 552.56 PRESSAVG: 4931600 -78.4935 35.6489 22.3438 35.6489 -29.6951 30.1022 22.3438 30.1021 100.23 GPRESSAVG: 4931600 -78.3951 34.7309 23.2113 35.7342 -29.8686 28.8129 21.2986 30.306 100.151 TIMING: 4931600 CPU: 14805.2, 0.00297116/step Wall: 14805.2, 0.00297116/step, 0.0564521 hours remaining, 208.523438 MB of memory in use. ENERGY: 4931600 788.4460 2161.8439 1962.5211 120.9075 -206503.3739 18019.6592 0.0000 0.0000 34548.1417 -148901.8544 301.7175 -183449.9961 -148816.5997 299.9466 153.7009 191.7950 555058.3978 -2.6529 -2.7043 PRESSURE: 4931800 199.359 69.2949 1.28321 69.2946 168.879 134.128 1.28362 134.129 160.135 GPRESSURE: 4931800 235.334 30.4384 -49.0678 126.111 223.446 86.1517 48.9534 196.784 165.977 PRESSAVG: 4931800 22.1738 13.1349 23.8425 13.1349 12.8689 -1.43421 23.8425 -1.43422 -20.396 GPRESSAVG: 4931800 22.1681 13.2529 23.9983 13.144 13.3074 -2.23449 25.7008 -0.0683612 -20.9804 TIMING: 4931800 CPU: 14805.8, 0.00296772/step Wall: 14805.8, 0.00296772/step, 0.0562219 hours remaining, 208.523438 MB of memory in use. ENERGY: 4931800 735.3327 2069.9536 1957.0450 104.8384 -206481.7694 18062.7458 0.0000 0.0000 34532.3395 -149019.5145 301.5795 -183551.8540 -148920.7605 300.5444 176.1242 208.2525 556391.6608 4.8822 4.8317 PRESSURE: 4932000 401.359 150.57 272.416 150.569 30.3506 -80.9482 272.415 -80.9463 211.619 GPRESSURE: 4932000 478.692 226.452 333.969 90.9167 42.274 -189.405 298.554 15.6144 236.765 PRESSAVG: 4932000 4.36958 6.30256 64.48 6.30251 -15.5824 -22.7775 64.48 -22.7774 12.5052 GPRESSAVG: 4932000 3.61979 6.377 63.3645 5.10815 -16.0761 -23.0804 63.3517 -23.7905 14.3121 TIMING: 4932000 CPU: 14806.4, 0.00295943/step Wall: 14806.4, 0.00295943/step, 0.0559004 hours remaining, 208.523438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4932000 720.3212 2070.2061 1929.3268 106.6640 -206604.9561 18218.9215 0.0000 0.0000 34452.0578 -149107.4587 300.8784 -183559.5165 -149004.0818 299.8519 214.4427 252.5771 556779.6911 0.4308 0.6186 PRESSURE: 4932200 82.428 -53.2264 13.9008 -53.2254 200.741 128.406 13.9016 128.407 117.399 GPRESSURE: 4932200 87.094 35.7399 -47.7634 -33.3347 220.791 91.0243 -27.9185 162.564 201.866 PRESSAVG: 4932200 42.3042 -19.63 59.5915 -19.6299 40.3526 51.4302 59.5914 51.4302 -34.1657 GPRESSAVG: 4932200 42.5629 -17.9491 58.2031 -19.4776 39.5325 54.5452 61.6906 49.947 -33.7285 TIMING: 4932200 CPU: 14807, 0.0029919/step Wall: 14807, 0.0029919/step, 0.0563474 hours remaining, 208.523438 MB of memory in use. ENERGY: 4932200 766.3136 2061.8941 1936.8637 103.3815 -206203.6042 17897.8651 0.0000 0.0000 34429.4314 -149007.8547 300.6808 -183437.2862 -148904.2596 300.5496 133.5228 169.9168 557168.6707 16.1637 16.1223 LDB: ============= START OF LOAD BALANCING ============== 14810.5 LDB: ============== END OF LOAD BALANCING =============== 14810.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14810.5 LDB: ============= START OF LOAD BALANCING ============== 14810.8 LDB: Largest compute 4796 load 0.027511 is 23.3% of average load 0.118206 LDB: Average compute 0.001730 is 1.5% of average load 0.118206 LDB: TIME 14810.8 LOAD: AVG 0.118206 MAX 0.209328 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.977 MB LDB: TIME 14810.8 LOAD: AVG 0.118206 MAX 0.209328 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.18 MB LDB: TIME 14810.8 LOAD: AVG 0.118206 MAX 0.209328 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.18 MB LDB: ============== END OF LOAD BALANCING =============== 14810.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14810.8 PRESSURE: 4932400 -185.542 -7.43083 155.177 -7.43078 31.888 -30.2629 155.178 -30.2602 288.041 GPRESSURE: 4932400 -125.732 -10.1778 124.317 34.9554 56.9222 -17.2622 213.006 -9.10589 295.478 PRESSAVG: 4932400 -20.1033 30.0721 2.35936 30.0721 28.3804 28.8709 2.35936 28.8709 31.3663 GPRESSAVG: 4932400 -19.5913 28.9343 2.98291 31.6188 29.1977 26.9479 1.13875 31.6582 30.3474 TIMING: 4932400 CPU: 14807.6, 0.00303554/step Wall: 14807.6, 0.00303554/step, 0.0570007 hours remaining, 209.746094 MB of memory in use. ENERGY: 4932400 773.8409 2140.6492 1966.0653 110.7099 -206110.7863 17871.3601 0.0000 0.0000 34238.8074 -149009.3535 299.0160 -183248.1609 -148916.7908 299.7911 44.7957 75.5561 556995.4907 13.2145 13.3179 PRESSURE: 4932600 -35.9307 34.3269 88.8912 34.3269 -0.677907 -58.2653 88.8925 -58.265 68.5985 GPRESSURE: 4932600 41.6003 22.4276 119.542 10.3497 43.2085 -31.4952 115.552 -59.1026 39.1028 PRESSAVG: 4932600 14.3845 -24.2855 64.7937 -24.2856 -35.8263 39.6544 64.7938 39.6544 34.0391 GPRESSAVG: 4932600 14.4924 -24.394 66.3167 -24.9397 -36.5915 40.6553 66.5585 40.0872 34.1341 TIMING: 4932600 CPU: 14808.2, 0.00295382/step Wall: 14808.2, 0.00295382/step, 0.0553021 hours remaining, 209.746094 MB of memory in use. ENERGY: 4932600 756.0016 2078.2061 1964.2358 115.0513 -205910.0295 17867.4442 0.0000 0.0000 34225.3501 -148903.7404 298.8985 -183129.0906 -148815.1862 299.8097 10.6633 41.3039 558039.6938 4.1991 4.0117 PRESSURE: 4932800 -158.001 -24.4568 36.0035 -24.4581 73.2392 89.6302 36.002 89.6314 102.101 GPRESSURE: 4932800 -181.849 -6.49451 53.3108 -1.28629 118.365 62.6332 -28.2033 176.593 170.205 PRESSAVG: 4932800 10.5382 -26.7927 60.2153 -26.7927 -38.0413 11.556 60.2153 11.5562 51.2501 GPRESSAVG: 4932800 10.1846 -24.6465 57.6068 -27.84 -37.6175 9.54386 60.2173 11.2434 51.1044 TIMING: 4932800 CPU: 14808.8, 0.00296788/step Wall: 14808.8, 0.00296788/step, 0.0554005 hours remaining, 209.746094 MB of memory in use. ENERGY: 4932800 733.2909 2115.3735 1952.3611 102.2103 -206258.9347 17869.8068 0.0000 0.0000 34331.8253 -149154.0667 299.8284 -183485.8920 -149062.3022 300.3725 5.7798 35.5739 557308.8633 7.9157 7.8905 PRESSURE: 4933000 -248.229 223.014 206.256 223.013 -37.2487 -48.6471 206.256 -48.647 161.579 GPRESSURE: 4933000 -157.23 261.268 214.447 104.481 -52.5052 -45.0823 225.216 -77.3312 169.724 PRESSAVG: 4933000 46.2909 -3.83303 9.28392 -3.8331 -18.1328 -57.7426 9.28388 -57.7427 -49.966 GPRESSAVG: 4933000 46.0424 -6.0519 10.8895 -3.68279 -18.8439 -56.5109 8.78259 -59.0115 -48.1404 TIMING: 4933000 CPU: 14809.4, 0.00298348/step Wall: 14809.4, 0.00298348/step, 0.0555259 hours remaining, 209.746094 MB of memory in use. ENERGY: 4933000 749.3284 2068.3718 1956.7209 106.3738 -205883.7991 17587.1185 0.0000 0.0000 34355.7138 -149060.1719 300.0370 -183415.8857 -148961.7123 300.0183 -41.2995 -13.3371 556630.1774 -7.2693 -6.9807 PRESSURE: 4933200 122.731 97.9877 -220.934 97.9872 406.192 -42.0104 -220.934 -42.0094 -43.649 GPRESSURE: 4933200 213.075 51.6842 -99.4306 127.958 400.053 -64.4077 -284.37 -62.8116 -32.3925 PRESSAVG: 4933200 10.1008 16.227 2.39207 16.227 26.7738 -26.3647 2.39206 -26.3645 -41.5208 GPRESSAVG: 4933200 10.4933 16.8877 3.5044 16.5925 27.7147 -26.4552 1.83376 -25.1879 -42.706 TIMING: 4933200 CPU: 14810, 0.00297873/step Wall: 14810, 0.00297873/step, 0.055272 hours remaining, 209.746094 MB of memory in use. ENERGY: 4933200 742.3289 2165.6853 1924.7675 115.5537 -206663.5646 17991.5104 0.0000 0.0000 34448.2952 -149275.4235 300.8455 -183723.7187 -149173.5939 300.1122 161.7579 193.5785 554725.4035 -1.5487 -1.4993 PRESSURE: 4933400 -202.738 -41.9072 39.2739 -41.9073 88.1837 74.5044 39.2745 74.5038 -5.25715 GPRESSURE: 4933400 -171.181 -105.379 20.5469 3.86221 128.002 53.2635 76.3291 48.1917 10.7276 PRESSAVG: 4933400 -48.768 -14.7588 64.2796 -14.7588 36.3303 -4.00994 64.2798 -4.00977 -6.41338 GPRESSAVG: 4933400 -47.6718 -14.3197 63.7168 -13.946 34.9313 -2.42848 63.6716 -6.13889 -6.31854 TIMING: 4933400 CPU: 14810.6, 0.00296209/step Wall: 14810.6, 0.00296209/step, 0.0547988 hours remaining, 209.746094 MB of memory in use. ENERGY: 4933400 749.9953 2061.3923 1960.2569 110.0845 -206310.4002 17794.4605 0.0000 0.0000 34397.5584 -149236.6523 300.4024 -183634.2106 -149133.2235 299.2761 -39.9370 -10.8174 556815.3047 -6.2837 -6.3530 PRESSURE: 4933600 -8.74895 -82.8964 175.071 -82.897 50.8517 4.76775 175.072 4.76745 72.798 GPRESSURE: 4933600 -47.8485 -49.3043 205.225 -15.6244 100.488 51.2678 115.138 -29.0243 151.601 PRESSAVG: 4933600 -34.1731 11.9534 -4.05861 11.9534 -11.4629 -47.7408 -4.05864 -47.7409 14.7352 GPRESSAVG: 4933600 -35.3513 14.081 -3.6054 11.5574 -10.064 -49.8774 -2.85582 -45.7868 14.2549 TIMING: 4933600 CPU: 14811.2, 0.00294668/step Wall: 14811.2, 0.00294668/step, 0.0543498 hours remaining, 209.746094 MB of memory in use. ENERGY: 4933600 741.3781 2083.6982 1946.9293 106.4371 -206038.3686 17626.9856 0.0000 0.0000 34235.9052 -149297.0351 298.9907 -183532.9403 -149199.3826 299.6041 38.3003 68.0803 556115.2237 -10.3002 -10.3868 PRESSURE: 4933800 -199.572 37.037 130.597 37.0372 133.527 136.696 130.598 136.696 46.3635 GPRESSURE: 4933800 -180.362 -5.54179 46.7889 -31.4678 190.329 144.424 107.755 159.364 66.6162 PRESSAVG: 4933800 -78.9949 16.1039 -17.5478 16.1039 -6.43882 85.6851 -17.5479 85.6851 88.0102 GPRESSAVG: 4933800 -78.6701 14.537 -19.1509 17.2776 -7.22543 86.5598 -18.5534 85.6108 88.9132 TIMING: 4933800 CPU: 14811.8, 0.00296919/step Wall: 14811.8, 0.00296919/step, 0.0546001 hours remaining, 209.746094 MB of memory in use. ENERGY: 4933800 746.9751 2034.5519 1935.0387 110.3076 -206187.3306 17849.9374 0.0000 0.0000 34199.9393 -149310.5805 298.6766 -183510.5198 -149210.7853 298.7643 -6.5603 25.5278 556871.1149 0.8588 1.0059 PRESSURE: 4934000 -64.9828 117.935 8.51028 117.935 28.1405 -5.47771 8.51057 -5.47809 79.1267 GPRESSURE: 4934000 -19.0136 21.9061 67.109 187.995 26.9998 -48.2714 -7.11976 18.0359 136.588 PRESSAVG: 4934000 30.9889 28.8417 36.7638 28.8417 -39.4341 20.6706 36.7637 20.6705 17.4007 GPRESSAVG: 4934000 32.7108 26.5984 37.0842 27.8135 -41.6045 20.1439 37.3925 18.6754 17.4031 TIMING: 4934000 CPU: 14812.4, 0.00299249/step Wall: 14812.4, 0.00299249/step, 0.0548622 hours remaining, 209.746094 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: 4934000 735.7662 2048.6322 1944.9956 107.4276 -206453.9536 17987.5510 0.0000 0.0000 34287.9855 -149341.5954 299.4455 -183629.5809 -149252.0655 299.0936 14.0948 48.1914 557824.2951 2.9852 2.8365 PRESSURE: 4934200 -152.754 76.5612 30.1635 76.5605 -73.4145 47.6146 30.1621 47.6145 200.915 GPRESSURE: 4934200 -135.859 1.73625 55.8848 42.4377 14.3374 139.567 4.63905 -35.5862 196.903 PRESSAVG: 4934200 -24.9842 36.4519 59.8806 36.4519 -35.8539 16.4339 59.8806 16.434 36.2485 GPRESSAVG: 4934200 -26.0814 36.9652 61.4201 38.2817 -33.5059 15.8579 58.9522 18.3297 34.8507 TIMING: 4934200 CPU: 14813, 0.00298421/step Wall: 14813, 0.00298421/step, 0.0545448 hours remaining, 209.746094 MB of memory in use. ENERGY: 4934200 745.1900 2095.6393 1932.7963 120.5761 -206398.5810 17874.0675 0.0000 0.0000 34331.1702 -149299.1416 299.8226 -183630.3118 -149201.6315 299.1143 -8.4178 25.1272 557281.2804 -8.1966 -8.2455 PRESSURE: 4934400 -130.406 -149.958 243.35 -149.957 150.184 -49.5048 243.351 -49.5056 -206.007 GPRESSURE: 4934400 -168.566 -114.301 253.515 -86.7476 223.086 -84.234 175.909 -60.5846 -142.062 PRESSAVG: 4934400 -16.2491 -11.2913 54.2304 -11.2912 -31.5425 -23.9958 54.2304 -23.9957 25.0521 GPRESSAVG: 4934400 -15.8529 -10.8925 53.6939 -14.0115 -32.8646 -25.3457 56.2298 -24.0244 26.0224 TIMING: 4934400 CPU: 14813.6, 0.00297904/step Wall: 14813.6, 0.00297904/step, 0.0542847 hours remaining, 209.746094 MB of memory in use. ENERGY: 4934400 748.8453 2114.4850 1939.9601 109.7805 -206532.0016 17911.8776 0.0000 0.0000 34314.9853 -149392.0678 299.6813 -183707.0531 -149295.7817 299.5597 -62.0761 -29.1803 559065.8768 -7.5798 -7.5650 PRESSURE: 4934600 -217.496 -53.1617 58.9773 -53.1617 -169.005 6.39094 58.9769 6.39066 -191.506 GPRESSURE: 4934600 -152.407 -120.22 68.1119 69.8992 -177.138 74.7564 -20.7758 21.47 -158.148 PRESSAVG: 4934600 -23.2005 -22.8664 4.50243 -22.8666 52.2051 -1.4478 4.50242 -1.44773 -1.92206 GPRESSAVG: 4934600 -24.2124 -21.9323 4.83211 -21.2337 52.6369 0.957339 4.03052 -2.74006 -1.44418 TIMING: 4934600 CPU: 14814.2, 0.00296942/step Wall: 14814.2, 0.00296942/step, 0.0539444 hours remaining, 209.746094 MB of memory in use. ENERGY: 4934600 815.0502 2062.6119 1943.1565 112.2988 -206312.1184 17804.4697 0.0000 0.0000 34178.3574 -149396.1739 298.4881 -183574.5313 -149301.8761 298.9272 -192.6691 -162.5641 557530.7508 9.0275 8.9934 PRESSURE: 4934800 -113.636 83.313 -3.83439 83.3131 209.43 -12.055 -3.83264 -12.0563 127.709 GPRESSURE: 4934800 -22.7648 148.926 -10.4507 31.0045 210.033 -3.56346 -39.7292 58.8805 144.967 PRESSAVG: 4934800 49.6396 46.2298 18.5539 46.2299 13.1778 -15.8037 18.5539 -15.8036 -63.6001 GPRESSAVG: 4934800 49.99 46.8679 17.5845 43.3888 12.8934 -17.6493 16.9715 -14.2762 -63.2675 TIMING: 4934800 CPU: 14814.8, 0.00301496/step Wall: 14814.8, 0.00301496/step, 0.0546042 hours remaining, 209.746094 MB of memory in use. ENERGY: 4934800 749.8945 2088.1273 1938.3946 111.8726 -206613.2331 18038.4598 0.0000 0.0000 34177.8772 -149508.6071 298.4839 -183686.4842 -149408.0752 299.6729 74.5012 110.7449 556740.5445 -0.2609 -0.1281 PRESSURE: 4935000 -132.548 -30.916 13.1442 -30.9142 -75.7834 -29.5878 13.1433 -29.5867 -152.836 GPRESSURE: 4935000 -100.789 -161.131 37.1167 50.0972 -18.057 -12.0906 -8.00995 -58.2808 -132.916 PRESSAVG: 4935000 4.5446 33.527 22.8775 33.527 -4.27458 17.6899 22.8775 17.6899 -9.35986 GPRESSAVG: 4935000 4.42972 33.6059 24.254 35.4824 -3.41541 19.5459 22.2544 16.8399 -9.71263 TIMING: 4935000 CPU: 14815.4, 0.00299472/step Wall: 14815.4, 0.00299472/step, 0.0540714 hours remaining, 209.746094 MB of memory in use. ENERGY: 4935000 783.8557 2054.8309 1937.5763 127.5136 -206546.2442 17961.5098 0.0000 0.0000 34246.9456 -149434.0123 299.0871 -183680.9579 -149331.4660 298.4668 -120.3890 -83.9208 558055.2412 -3.0299 -2.8994 PRESSURE: 4935200 205.254 -15.6873 134.122 -15.6883 209.516 -201.032 134.123 -201.031 -5.27973 GPRESSURE: 4935200 205.689 -49.8796 187.523 -43.7992 215.115 -203.131 72.0612 -148.41 75.376 PRESSAVG: 4935200 66.7476 43.1888 -18.717 43.1888 -37.4783 -49.2445 -18.717 -49.2443 -58.8802 GPRESSAVG: 4935200 66.5826 42.5357 -19.8303 42.89 -37.073 -48.816 -17.2039 -50.8431 -58.9892 TIMING: 4935200 CPU: 14815.9, 0.00297353/step Wall: 14815.9, 0.00297353/step, 0.0535235 hours remaining, 209.746094 MB of memory in use. ENERGY: 4935200 746.7531 2104.1654 1932.4021 118.6428 -206597.8927 18006.4963 0.0000 0.0000 34212.1912 -149477.2418 298.7836 -183689.4330 -149379.3676 298.8620 136.4968 165.3933 557845.5943 -9.8703 -9.8265 PRESSURE: 4935400 200.311 -26.1245 84.437 -26.1237 73.0021 35.8709 84.4372 35.8693 -169.92 GPRESSURE: 4935400 155.782 18.8332 105.036 -79.136 158.523 87.2248 33.1099 -22.9011 -116.012 PRESSAVG: 4935400 50.062 6.65894 -19.2635 6.65884 15.1606 -37.4409 -19.2635 -37.4409 -68.1183 GPRESSAVG: 4935400 50.2705 7.10121 -19.0897 5.57588 14.8556 -38.8273 -20.1981 -35.6509 -68.6996 TIMING: 4935400 CPU: 14816.5, 0.00299581/step Wall: 14816.5, 0.00299581/step, 0.0537582 hours remaining, 209.746094 MB of memory in use. ENERGY: 4935400 740.2206 2161.7655 1951.5937 109.1025 -206534.3465 17969.9864 0.0000 0.0000 34276.6795 -149324.9983 299.3468 -183601.6778 -149228.5164 299.4800 34.4646 66.0975 557542.9353 -0.9652 -1.1912 PRESSURE: 4935600 49.2082 12.174 14.0118 12.1735 -176.83 36.7741 14.0124 36.7723 -239.66 GPRESSURE: 4935600 61.4246 46.6308 23.8695 12.5624 -182.023 -92.382 7.66258 88.6464 -147.252 PRESSAVG: 4935600 -43.7263 -7.09463 -19.5254 -7.09466 20.47 -29.2119 -19.5255 -29.2119 -33.1743 GPRESSAVG: 4935600 -43.8354 -7.95156 -19.5961 -5.56275 20.2022 -27.5997 -18.996 -30.449 -32.4713 TIMING: 4935600 CPU: 14817.1, 0.00300745/step Wall: 14817.1, 0.00300745/step, 0.0537999 hours remaining, 209.746094 MB of memory in use. ENERGY: 4935600 733.6567 2074.7178 1940.4569 132.1691 -206146.7793 17675.3860 0.0000 0.0000 34325.1682 -149265.2246 299.7702 -183590.3928 -149169.8029 299.4422 -122.4275 -89.2832 556472.3819 -18.8102 -18.7015 PRESSURE: 4935800 -158.769 -32.8302 -97.8536 -32.8309 -166.946 1.4164 -97.8511 1.41694 -275.131 GPRESSURE: 4935800 -163.062 34.7953 -130.598 19.3817 -137.497 27.3965 -133.394 -129.465 -203.54 PRESSAVG: 4935800 -69.2813 39.1456 -52.472 39.1455 35.2811 32.8164 -52.472 32.8164 35.5827 GPRESSAVG: 4935800 -68.3022 43.0982 -51.379 37.156 34.0345 29.1869 -53.4581 35.5614 35.5861 TIMING: 4935800 CPU: 14817.8, 0.00301156/step Wall: 14817.8, 0.00301156/step, 0.0537062 hours remaining, 209.746094 MB of memory in use. ENERGY: 4935800 813.7628 2091.1018 1914.3155 116.1601 -206017.6800 17657.5806 0.0000 0.0000 34173.4410 -149251.3183 298.4452 -183424.7593 -149159.8744 299.6455 -200.2817 -168.0329 557466.4723 0.5275 0.4395 PRESSURE: 4936000 -30.2941 34.2455 5.61637 34.2462 -53.2305 -89.2566 5.61678 -89.2568 -5.8937 GPRESSURE: 4936000 22.536 27.4385 8.87674 4.59224 -10.3864 -85.3122 -20.7382 -93.7896 -9.87762 PRESSAVG: 4936000 -7.3352 28.2335 0.038492 28.2335 50.7568 8.19015 0.0385299 8.19017 -32.8616 GPRESSAVG: 4936000 -8.48526 23.3609 -1.11133 29.0504 52.2146 9.19904 2.06215 7.13051 -32.9439 TIMING: 4936000 CPU: 14818.3, 0.00296774/step Wall: 14818.3, 0.00296774/step, 0.0527598 hours remaining, 209.746094 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: 4936000 762.2764 2081.7679 1953.2271 109.5053 -206079.5444 17766.0946 0.0000 0.0000 34183.5402 -149223.1328 298.5334 -183406.6730 -149126.5768 300.1027 -29.8061 0.7573 556268.9327 3.5200 3.5952 PRESSURE: 4936200 -101.019 70.7167 -57.9519 70.7162 -31.1509 43.7904 -57.9535 43.7904 -9.51512 GPRESSURE: 4936200 -75.3648 -43.8636 34.974 14.4721 -45.2059 34.8283 -35.355 91.9041 75.7066 PRESSAVG: 4936200 -19.7471 -40.9816 59.9203 -40.9817 -11.5172 25.5471 59.9203 25.5471 -15.7754 GPRESSAVG: 4936200 -19.0281 -38.7761 60.5582 -41.7743 -13.1142 27.2177 58.5234 26.3544 -15.2056 TIMING: 4936200 CPU: 14818.9, 0.00299335/step Wall: 14818.9, 0.00299335/step, 0.0530487 hours remaining, 209.949219 MB of memory in use. ENERGY: 4936200 772.4881 2114.2199 1929.6026 115.5586 -206270.3517 17705.3990 0.0000 0.0000 34351.7712 -149281.3124 300.0026 -183633.0836 -149183.5908 299.0508 -47.2284 -14.9547 556806.9144 -15.6799 -15.7826 LDB: ============= START OF LOAD BALANCING ============== 14822.5 LDB: ============== END OF LOAD BALANCING =============== 14822.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14822.5 LDB: ============= START OF LOAD BALANCING ============== 14822.8 LDB: Largest compute 4796 load 0.027459 is 23.2% of average load 0.118178 LDB: Average compute 0.001728 is 1.5% of average load 0.118178 LDB: TIME 14822.8 LOAD: AVG 0.118178 MAX 0.213235 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.562 MB LDB: TIME 14822.8 LOAD: AVG 0.118178 MAX 0.213235 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.562 MB LDB: TIME 14822.8 LOAD: AVG 0.118178 MAX 0.213235 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.562 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14822.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14822.8 PRESSURE: 4936400 -3.50769 153.228 16.3513 153.228 -120.254 27.1602 16.3512 27.1613 -98.5257 GPRESSURE: 4936400 -9.68977 190.606 -65.5426 26.0153 -50.4924 47.881 55.8925 15.9363 -71.3381 PRESSAVG: 4936400 -14.3997 -41.4168 34.1187 -41.4168 -22.3182 36.6801 34.1187 36.6801 35.5142 GPRESSAVG: 4936400 -14.8789 -43.0777 33.758 -40.5465 -20.9017 38.3156 35.6329 32.8512 34.3792 TIMING: 4936400 CPU: 14819.6, 0.0030468/step Wall: 14819.6, 0.0030468/step, 0.0538268 hours remaining, 208.976562 MB of memory in use. ENERGY: 4936400 717.0614 2115.4777 1938.7251 120.2272 -206081.3477 17697.9247 0.0000 0.0000 34173.0755 -149318.8561 298.4420 -183491.9316 -149226.1224 299.2680 -74.0958 -43.8401 556817.7183 -0.4013 -0.4672 PRESSURE: 4936600 -38.8659 -107.764 19.1414 -107.764 56.1037 54.7733 19.1421 54.7733 65.7088 GPRESSURE: 4936600 -0.864405 -162.394 18.1487 -89.3546 99.4373 11.1501 8.78202 6.53158 73.6312 PRESSAVG: 4936600 -34.3791 -24.7106 -16.0154 -24.7106 55.8189 3.86498 -16.0155 3.86499 10.6571 GPRESSAVG: 4936600 -33.9047 -24.2551 -16.7367 -23.3324 56.8725 3.91911 -17.9074 5.76687 9.44433 TIMING: 4936600 CPU: 14820.2, 0.00298545/step Wall: 14820.2, 0.00298545/step, 0.0525771 hours remaining, 208.976562 MB of memory in use. ENERGY: 4936600 746.7049 2096.1950 1922.7413 116.2616 -206567.7204 18087.6598 0.0000 0.0000 34266.4181 -149331.7397 299.2572 -183598.1579 -149244.6895 299.1902 27.6489 57.4014 557419.1680 10.6989 10.8040 PRESSURE: 4936800 1.51505 18.7906 -198.87 18.7909 -14.83 -112.415 -198.87 -112.415 -205.674 GPRESSURE: 4936800 57.9771 92.033 -222.915 -93.1994 -33.9525 -68.6364 -280.021 -99.2096 -152.022 PRESSAVG: 4936800 6.70616 -64.6006 -48.1878 -64.6005 58.8558 11.0173 -48.1878 11.0174 -56.4136 GPRESSAVG: 4936800 6.61982 -64.3148 -46.801 -67.33 56.7903 9.21048 -48.7137 9.86405 -54.8274 TIMING: 4936800 CPU: 14820.7, 0.00297911/step Wall: 14820.7, 0.00297911/step, 0.0522999 hours remaining, 209.035156 MB of memory in use. ENERGY: 4936800 753.9952 2067.7999 1918.2597 116.9568 -206250.6782 17824.7117 0.0000 0.0000 34328.0109 -149240.9441 299.7951 -183568.9550 -149136.6423 299.2671 -72.9965 -42.6660 558812.2929 3.0495 2.8609 PRESSURE: 4937000 69.9417 -189.623 -148.523 -189.623 -136.407 -11.5855 -148.522 -11.5853 45.8445 GPRESSURE: 4937000 69.9728 -123.004 -189.62 -254.467 -75.4953 18.4857 -104.006 -1.57056 68.1436 PRESSAVG: 4937000 -9.03193 -32.2465 -20.0494 -32.2465 63.5419 -63.2647 -20.0494 -63.2646 -47.4797 GPRESSAVG: 4937000 -8.72419 -31.4574 -20.434 -31.1592 63.7861 -63.4988 -19.9964 -61.2807 -48.3983 TIMING: 4937000 CPU: 14821.3, 0.00298901/step Wall: 14821.3, 0.00298901/step, 0.0523076 hours remaining, 209.035156 MB of memory in use. ENERGY: 4937000 786.6461 2072.1786 1925.1941 108.9472 -206125.4079 17856.2961 0.0000 0.0000 34142.4097 -149233.7361 298.1742 -183376.1458 -149137.7403 299.9493 -6.8738 20.8737 557655.2026 2.3434 2.2212 PRESSURE: 4937200 -158.221 -67.2892 202.892 -67.2893 -179.018 21.6288 202.893 21.6293 -232.498 GPRESSURE: 4937200 -160.937 -16.0655 137.828 -89.8175 -122.22 70.1558 208.572 -19.0503 -197.201 PRESSAVG: 4937200 18.8514 1.51761 31.4721 1.51766 13.118 -21.7164 31.4722 -21.7164 -18.7745 GPRESSAVG: 4937200 18.6839 2.5687 31.5843 0.415365 12.7296 -20.444 31.104 -23.0883 -18.145 TIMING: 4937200 CPU: 14821.9, 0.00297985/step Wall: 14821.9, 0.00297985/step, 0.0519818 hours remaining, 209.035156 MB of memory in use. ENERGY: 4937200 756.7883 2116.4623 1917.2174 114.8641 -205789.8125 17563.5959 0.0000 0.0000 34232.5854 -149088.2992 298.9617 -183320.8846 -148989.4469 299.2493 -189.9123 -160.1195 556271.1529 4.3983 4.4228 PRESSURE: 4937400 -215.332 -16.4998 -101.513 -16.4992 -349.777 -106.769 -101.514 -106.769 -33.2838 GPRESSURE: 4937400 -200.27 59.6096 -42.4824 -87.3408 -289.006 -114.802 -74.9861 -49.6211 -20.175 PRESSAVG: 4937400 -20.3313 -12.7059 -12.5487 -12.7058 7.71763 -58.0325 -12.5487 -58.0327 -7.33053 GPRESSAVG: 4937400 -19.7903 -12.4603 -12.9905 -12.8715 7.99437 -56.5878 -10.0844 -58.6385 -7.98647 TIMING: 4937400 CPU: 14822.5, 0.00297272/step Wall: 14822.5, 0.00297272/step, 0.0516923 hours remaining, 209.035156 MB of memory in use. ENERGY: 4937400 757.5016 2096.2813 1943.3834 118.4820 -206061.8969 17648.9720 0.0000 0.0000 34581.6870 -148915.5895 302.0105 -183497.2765 -148822.6742 300.3131 -199.4641 -169.8170 558049.9329 -6.6481 -6.5941 PRESSURE: 4937600 -42.4067 58.6973 -70.9441 58.6967 70.9961 50.0674 -70.9442 50.0683 84.3973 GPRESSURE: 4937600 -15.6191 41.9312 -79.3229 122.385 87.6892 54.0753 -84.8467 13.9999 142.148 PRESSAVG: 4937600 5.86992 43.0242 -56.5173 43.0243 32.8867 17.7571 -56.5174 17.7573 -5.33529 GPRESSAVG: 4937600 6.30222 41.3786 -57.0147 46.8395 32.1045 14.3251 -56.8896 19.9789 -4.8408 TIMING: 4937600 CPU: 14823.1, 0.0029826/step Wall: 14823.1, 0.0029826/step, 0.0516984 hours remaining, 209.035156 MB of memory in use. ENERGY: 4937600 761.8512 2097.1341 1933.6032 116.4597 -206020.1048 17765.8260 0.0000 0.0000 34161.7188 -149183.5118 298.3428 -183345.2306 -149093.2637 300.5844 37.6622 71.4061 555643.9189 11.1404 11.1886 PRESSURE: 4937800 115.987 -12.212 206.011 -12.2124 -59.7305 -73.2465 206.013 -73.2466 -85.286 GPRESSURE: 4937800 117.135 -0.986574 201.54 -1.76533 -7.32556 -87.8053 231.26 -33.2041 -33.6021 PRESSAVG: 4937800 67.7366 -1.93708 -3.38302 -1.93706 34.6962 23.7468 -3.38301 23.7467 -102.17 GPRESSAVG: 4937800 67.3439 -0.858453 -2.77812 -3.79232 35.1746 25.4041 -3.55156 21.2852 -101.4 TIMING: 4937800 CPU: 14823.7, 0.00301618/step Wall: 14823.7, 0.00301618/step, 0.0521129 hours remaining, 209.035156 MB of memory in use. ENERGY: 4937800 767.0472 2141.7090 1941.0925 114.2863 -206339.4382 17760.4834 0.0000 0.0000 34428.4765 -149186.3434 300.6724 -183614.8198 -149088.6637 299.6027 -9.6765 25.4025 556627.5399 0.0876 0.3727 PRESSURE: 4938000 25.8771 -46.1442 98.7573 -46.1445 21.5271 -46.634 98.7567 -46.6345 -224.606 GPRESSURE: 4938000 -8.74674 -52.0533 164.523 2.21348 107.109 -73.944 46.4412 -95.9828 -176.552 PRESSAVG: 4938000 36.8308 50.4952 7.88563 50.4952 4.00343 21.1559 7.88559 21.1558 -71.3136 GPRESSAVG: 4938000 37.3861 50.5839 8.36902 51.2408 3.69264 20.2492 5.08759 22.459 -71.5251 TIMING: 4938000 CPU: 14824.3, 0.00299563/step Wall: 14824.3, 0.00299563/step, 0.0515914 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: 4938000 730.0033 2162.9576 1933.6500 111.9336 -206215.3236 17700.1322 0.0000 0.0000 34365.8146 -149210.8324 300.1252 -183576.6470 -149112.7797 299.4777 -59.0674 -26.0630 556647.1068 -10.1598 -10.1488 PRESSURE: 4938200 -104.799 32.0614 167.853 32.0622 25.5123 -120.712 167.853 -120.712 -122.667 GPRESSURE: 4938200 -24.3197 13.1659 132.139 42.825 8.08199 18.84 181.608 -115.403 -90.7879 PRESSAVG: 4938200 86.2783 -16.2413 47.8359 -16.2411 29.0636 12.88 47.8358 12.8801 -106.007 GPRESSAVG: 4938200 85.834 -17.8139 46.823 -15.8641 28.9263 12.9342 51.528 13.2917 -105.313 TIMING: 4938200 CPU: 14824.9, 0.00301428/step Wall: 14824.9, 0.00301428/step, 0.0517452 hours remaining, 209.035156 MB of memory in use. ENERGY: 4938200 711.7009 2122.4669 1947.5178 114.2907 -206238.2490 17598.6381 0.0000 0.0000 34300.1327 -149443.5019 299.5516 -183743.6346 -149343.9167 299.4653 -67.3179 -35.6752 555954.1640 3.1116 3.1490 PRESSURE: 4938400 79.7082 32.7623 157.996 32.762 43.2274 43.8048 157.997 43.8056 -227.716 GPRESSURE: 4938400 126.192 51.1053 92.8341 76.7138 42.491 67.6396 130.817 39.4212 -176.416 PRESSAVG: 4938400 24.8762 -4.51838 3.83728 -4.51845 45.8704 37.4186 3.8373 37.4186 -64.931 GPRESSAVG: 4938400 23.9068 -3.46396 5.05125 -6.52959 46.7372 37.4605 2.07357 37.3311 -64.9637 TIMING: 4938400 CPU: 14825.5, 0.00300363/step Wall: 14825.5, 0.00300363/step, 0.0513954 hours remaining, 209.035156 MB of memory in use. ENERGY: 4938400 748.0658 2098.2965 1927.9811 109.8587 -206383.1178 17783.1807 0.0000 0.0000 34260.5247 -149455.2104 299.2057 -183715.7351 -149355.9167 299.1788 -34.9269 -2.5774 557487.1577 1.9385 1.8934 PRESSURE: 4938600 -46.3496 -62.4605 26.0904 -62.4602 -145.632 -26.3819 26.0899 -26.3833 160.687 GPRESSURE: 4938600 -8.60126 -115.779 14.292 -38.7292 -91.6635 -24.3909 50.0972 -59.4577 164.638 PRESSAVG: 4938600 2.07431 -55.4224 54.6187 -55.4224 -35.0664 -2.46713 54.6188 -2.46713 71.7566 GPRESSAVG: 4938600 2.9072 -56.834 52.5968 -51.8189 -34.4464 -2.27405 57.4522 -2.47119 70.4048 TIMING: 4938600 CPU: 14826.1, 0.00297795/step Wall: 14826.1, 0.00297795/step, 0.0507906 hours remaining, 209.035156 MB of memory in use. ENERGY: 4938600 790.7345 2093.5855 1930.8627 123.9091 -206369.0000 17923.2418 0.0000 0.0000 34337.0077 -149169.6588 299.8736 -183506.6665 -149080.8545 299.0618 -10.4315 21.4576 555409.3287 12.9215 12.9552 PRESSURE: 4938800 -85.4343 -96.9632 10.8258 -96.9639 -143.208 -181.296 10.8261 -181.296 -214.364 GPRESSURE: 4938800 -57.1244 -26.0037 -5.85505 -200.811 -116.888 -161.806 57.8886 -264.887 -159.667 PRESSAVG: 4938800 20.8409 -3.52802 72.0683 -3.52798 -35.0231 31.1465 72.0683 31.1464 23.7595 GPRESSAVG: 4938800 20.2944 -3.80908 72.5688 -6.17713 -35.3827 30.974 69.1062 31.7983 24.9899 TIMING: 4938800 CPU: 14826.7, 0.00295273/step Wall: 14826.7, 0.00295273/step, 0.0501964 hours remaining, 209.035156 MB of memory in use. ENERGY: 4938800 769.7049 2123.7285 1933.1750 110.0634 -206056.0155 17761.0280 0.0000 0.0000 34157.5330 -149200.7827 298.3062 -183358.3157 -149109.1078 300.2719 -147.6686 -111.2263 557677.1001 3.1925 3.3005 PRESSURE: 4939000 -106.681 29.3732 18.0329 29.3727 -250.511 -139.349 18.0342 -139.349 -239.118 GPRESSURE: 4939000 -84.6165 50.0272 -77.2525 16.5407 -244.19 -102.425 -5.65367 -207.387 -179.56 PRESSAVG: 4939000 79.5181 -40.855 2.76948 -40.8549 -129.625 -72.4065 2.76954 -72.4065 11.2087 GPRESSAVG: 4939000 81.1637 -39.182 3.04736 -40.4114 -131.494 -71.6715 2.85342 -73.8351 11.8578 TIMING: 4939000 CPU: 14827.3, 0.00297613/step Wall: 14827.3, 0.00297613/step, 0.0504289 hours remaining, 209.035156 MB of memory in use. ENERGY: 4939000 814.4051 2103.5002 1951.6696 115.2273 -206120.6910 17719.9934 0.0000 0.0000 34116.8785 -149299.0170 297.9512 -183415.8954 -149206.0935 299.6542 -198.7702 -169.4554 558744.9352 -12.9659 -12.8240 PRESSURE: 4939200 100.948 4.87339 10.0891 4.87324 -201.586 -87.6139 10.0894 -87.6131 -7.20421 GPRESSURE: 4939200 108.568 45.0301 23.3247 19.3002 -207.797 -106.199 -35.7454 -52.63 84.2166 PRESSAVG: 4939200 77.3404 -16.1637 -25.3325 -16.1637 -99.4372 -21.9805 -25.3324 -21.9806 31.0781 GPRESSAVG: 4939200 76.8466 -17.484 -26.6791 -15.4481 -97.4587 -22.1867 -23.3381 -24.3477 29.4912 TIMING: 4939200 CPU: 14827.9, 0.00298998/step Wall: 14827.9, 0.00298998/step, 0.0504974 hours remaining, 209.035156 MB of memory in use. ENERGY: 4939200 787.9750 2150.8588 1956.0775 121.3291 -206648.2554 17922.6148 0.0000 0.0000 34420.3734 -149289.0268 300.6017 -183709.4002 -149199.3830 299.7412 -35.9472 -5.0040 558237.4535 2.9938 2.9597 PRESSURE: 4939400 141.397 108.359 -63.8773 108.359 -216.452 7.61376 -63.8786 7.61453 20.3017 GPRESSURE: 4939400 191.385 240.935 -15.7336 92.4112 -205.414 80.7142 -132.734 -5.85158 56.0072 PRESSAVG: 4939400 3.1459 -9.20932 -15.4763 -9.20915 3.68271 -23.7629 -15.4764 -23.7629 -2.90511 GPRESSAVG: 4939400 4.18627 -8.45168 -14.0035 -10.0185 1.4217 -22.5354 -17.5811 -20.8709 -1.89707 TIMING: 4939400 CPU: 14828.5, 0.00299942/step Wall: 14828.5, 0.00299942/step, 0.0504902 hours remaining, 209.035156 MB of memory in use. ENERGY: 4939400 758.2529 2108.1721 1957.8111 119.5555 -206476.4454 17761.6632 0.0000 0.0000 34519.2267 -149251.7638 301.4650 -183770.9905 -149152.3596 299.7295 -18.2510 13.9926 556965.4130 1.3078 1.2370 PRESSURE: 4939600 -67.1499 96.8345 66.4845 96.8327 107.998 237.246 66.4851 237.245 -98.8292 GPRESSURE: 4939600 -28.2637 49.2662 120.203 150.109 112.695 208.967 52.4773 225.502 -43.903 PRESSAVG: 4939600 15.323 -12.4414 -29.1729 -12.4413 -40.0358 2.04887 -29.1729 2.04895 32.5869 GPRESSAVG: 4939600 13.438 -12.3828 -28.4674 -12.7635 -38.4268 0.190896 -28.9937 3.69291 33.3608 TIMING: 4939600 CPU: 14829.1, 0.0029975/step Wall: 14829.1, 0.0029975/step, 0.0502914 hours remaining, 209.035156 MB of memory in use. ENERGY: 4939600 741.8156 2097.1171 1957.0405 116.4353 -206626.5149 17929.3324 0.0000 0.0000 34310.0472 -149474.7267 299.6382 -183784.7739 -149382.4013 299.3557 -19.3271 13.5094 556900.3522 2.6247 2.7907 PRESSURE: 4939800 -191.565 -63.6897 76.8009 -63.6895 116.29 23.2928 76.8001 23.2936 -203.708 GPRESSURE: 4939800 -171.999 -65.5495 136.056 -73.808 188.865 -21.518 -81.3298 37.1034 -191.264 PRESSAVG: 4939800 -14.1859 -14.0826 1.63063 -14.0826 85.731 -42.6164 1.63056 -42.6163 -48.2629 GPRESSAVG: 4939800 -13.4755 -15.0038 1.78311 -14.2703 85.6323 -42.6461 1.2504 -43.8819 -49.2815 TIMING: 4939800 CPU: 14829.7, 0.00298892/step Wall: 14829.7, 0.00298892/step, 0.0499814 hours remaining, 209.035156 MB of memory in use. ENERGY: 4939800 717.4244 2163.5256 1929.6766 116.5925 -206184.9436 17663.6748 0.0000 0.0000 34211.4938 -149382.5559 298.7775 -183594.0497 -149286.0836 298.8206 -92.9942 -58.1329 557373.9746 7.7607 7.6251 PRESSURE: 4940000 166.88 5.07591 4.11553 5.07598 119.906 -66.3385 4.11484 -66.3386 85.6898 GPRESSURE: 4940000 192.486 41.4925 29.2731 0.375697 130.511 -89.3728 75.2927 -1.32959 137.392 PRESSAVG: 4940000 -18.5485 -39.2109 53.4757 -39.2109 2.69385 3.29037 53.4757 3.29036 10.6062 GPRESSAVG: 4940000 -18.1627 -37.8897 52.1507 -39.2041 3.17723 2.51349 55.7209 2.87279 9.7974 TIMING: 4940000 CPU: 14830.3, 0.00298839/step Wall: 14830.3, 0.00298839/step, 0.0498064 hours remaining, 209.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4940000 740.2979 2116.9529 1960.0725 121.0588 -206728.6503 18077.9652 0.0000 0.0000 34595.2951 -149117.0081 302.1293 -183712.3031 -149017.4606 299.6125 124.1585 153.4631 557099.5764 -1.7495 -1.7294 PRESSURE: 4940200 83.9568 152.479 27.6849 152.479 98.7691 -1.9549 27.6848 -1.9551 344.649 GPRESSURE: 4940200 93.9929 72.6215 105.308 162.008 162.002 80.3971 4.45384 -97.0815 367.3 PRESSAVG: 4940200 15.5206 33.2767 -44.1605 33.2767 59.6249 -10.602 -44.1605 -10.6019 -47.7299 GPRESSAVG: 4940200 15.5832 32.1932 -44.081 34.4135 59.4168 -9.61932 -44.6041 -10.3152 -47.8768 TIMING: 4940200 CPU: 14830.9, 0.00295622/step Wall: 14830.9, 0.00295622/step, 0.0491062 hours remaining, 209.101562 MB of memory in use. ENERGY: 4940200 744.8558 2118.3971 1956.3918 98.9436 -206515.7438 18025.9034 0.0000 0.0000 34345.0330 -149226.2191 299.9437 -183571.2521 -149126.6643 300.1472 175.7918 207.7648 556269.8250 9.1385 9.0411 LDB: ============= START OF LOAD BALANCING ============== 14834.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14834.4 LDB: =============== DONE WITH MIGRATION ================ 14834.4 LDB: ============= START OF LOAD BALANCING ============== 14834.7 LDB: Largest compute 4796 load 0.027461 is 23.2% of average load 0.118193 LDB: Average compute 0.001728 is 1.5% of average load 0.118193 LDB: TIME 14834.7 LOAD: AVG 0.118193 MAX 0.211623 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.746 MB LDB: TIME 14834.7 LOAD: AVG 0.118193 MAX 0.211623 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.746 MB LDB: TIME 14834.7 LOAD: AVG 0.118193 MAX 0.211623 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.746 MB LDB: ============== END OF LOAD BALANCING =============== 14834.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14834.7 PRESSURE: 4940400 -227.946 75.4118 49.4215 75.4128 -97.2994 74.242 49.422 74.2415 -98.2446 GPRESSURE: 4940400 -150.507 66.7659 164.479 96.8585 -60.775 58.3612 78.804 71.018 -109.179 PRESSAVG: 4940400 -45.433 -34.3659 4.48941 -34.3659 17.8689 24.3106 4.48941 24.3108 -3.68351 GPRESSAVG: 4940400 -45.854 -34.6423 5.06678 -36.0174 18.1606 22.9346 5.32067 24.7829 -3.95922 TIMING: 4940400 CPU: 14831.5, 0.00302989/step Wall: 14831.5, 0.00302989/step, 0.0501616 hours remaining, 209.292969 MB of memory in use. ENERGY: 4940400 745.4920 2100.3493 1952.7227 107.4962 -205980.0343 17690.0998 0.0000 0.0000 34070.5355 -149313.3388 297.5465 -183383.8742 -149214.2676 298.8586 -141.1634 -106.8202 558918.2231 -10.4159 -10.5509 PRESSURE: 4940600 43.592 -95.886 -181.575 -95.8851 -98.0432 -2.58734 -181.575 -2.58862 -39.0773 GPRESSURE: 4940600 49.9718 -40.6855 -72.2466 -111.418 -19.2613 -19.2779 -164.739 -4.45703 -16.9015 PRESSAVG: 4940600 7.36573 -23.8381 -13.3365 -23.838 6.05816 -58.8086 -13.3365 -58.8086 -29.7489 GPRESSAVG: 4940600 7.38163 -24.2779 -15.8158 -21.1728 6.04452 -57.3049 -12.0925 -59.1989 -29.137 TIMING: 4940600 CPU: 14832.1, 0.00296655/step Wall: 14832.1, 0.00296655/step, 0.048948 hours remaining, 209.496094 MB of memory in use. ENERGY: 4940600 757.2968 2051.5433 1976.7048 107.8143 -206504.2451 17943.2259 0.0000 0.0000 34410.1112 -149257.5489 300.5121 -183667.6601 -149156.3379 298.9544 -31.1762 4.6030 558325.9981 -5.4417 -5.2370 PRESSURE: 4940800 64.4279 92.0191 183.434 92.0216 -197.327 -12.3424 183.435 -12.3428 160.687 GPRESSURE: 4940800 82.1158 117.426 281.949 42.2791 -120.153 -64.6738 65.3728 -56.5815 159.307 PRESSAVG: 4940800 48.8884 -25.4812 -37.4587 -25.4812 -26.9962 -23.7317 -37.4586 -23.7317 55.9835 GPRESSAVG: 4940800 47.3715 -23.6296 -35.3816 -27.7766 -25.3101 -24.8352 -38.1987 -22.3702 55.6912 TIMING: 4940800 CPU: 14832.7, 0.0029471/step Wall: 14832.7, 0.0029471/step, 0.0484634 hours remaining, 209.496094 MB of memory in use. ENERGY: 4940800 753.9119 2108.0585 1947.5893 121.3408 -206212.4877 17812.7328 0.0000 0.0000 34051.1045 -149417.7500 297.3768 -183468.8545 -149320.2529 298.9874 9.2624 40.4232 556856.7164 25.9586 25.9176 PRESSURE: 4941000 -117.231 84.154 -25.6218 84.1544 -173.494 120.954 -25.6205 120.952 -95.3445 GPRESSURE: 4941000 -36.8866 98.9773 -101.116 140.596 -193.951 57.9736 -11.2229 119.061 -60.7753 PRESSAVG: 4941000 46.274 38.0891 3.00734 38.0891 -84.0198 -22.3482 3.00731 -22.3483 16.6718 GPRESSAVG: 4941000 47.2894 37.5567 3.01944 38.6051 -85.1512 -23.053 1.96324 -22.2433 16.9021 TIMING: 4941000 CPU: 14833.3, 0.00295517/step Wall: 14833.3, 0.00295517/step, 0.0484319 hours remaining, 209.496094 MB of memory in use. ENERGY: 4941000 749.6890 2116.0316 1949.5789 101.9762 -206162.2615 17767.2356 0.0000 0.0000 34189.1129 -149288.6372 298.5820 -183477.7501 -149192.5035 298.8848 -128.6897 -97.2044 557935.3489 -7.0247 -6.9865 PRESSURE: 4941200 -95.9007 72.0332 15.4645 72.0332 -245.474 106.965 15.4639 106.966 -239.864 GPRESSURE: 4941200 -98.9615 208.007 15.0137 -34.1363 -182.883 10.8774 15.0541 39.1413 -208.639 PRESSAVG: 4941200 -50.3722 54.8432 -9.00696 54.8432 13.2734 -19.6587 -9.00691 -19.6586 5.24959 GPRESSAVG: 4941200 -49.4809 54.5848 -7.96799 53.8548 12.649 -19.3728 -9.00004 -21.2463 4.84778 TIMING: 4941200 CPU: 14833.9, 0.00296056/step Wall: 14833.9, 0.00296056/step, 0.0483558 hours remaining, 209.496094 MB of memory in use. ENERGY: 4941200 718.9975 2014.6003 1939.4261 120.4804 -205771.2510 17370.8666 0.0000 0.0000 34338.5674 -149268.3128 299.8872 -183606.8802 -149173.0244 299.1307 -193.7464 -163.4947 558489.4225 -10.6164 -10.6614 PRESSURE: 4941400 -13.2739 -38.9659 174.773 -38.9655 0.345015 -193.693 174.773 -193.692 120.407 GPRESSURE: 4941400 14.2918 -58.5777 232.666 -28.8098 27.4639 -119.836 122.243 -165.157 167.047 PRESSAVG: 4941400 -18.1719 6.35737 -15.2163 6.35732 -5.82128 -0.389802 -15.2162 -0.389794 37.2769 GPRESSAVG: 4941400 -19.7919 4.44998 -16.6416 9.13141 -4.89522 0.226477 -13.9399 0.588024 37.8546 TIMING: 4941400 CPU: 14834.5, 0.00294766/step Wall: 14834.5, 0.00294766/step, 0.0479813 hours remaining, 209.496094 MB of memory in use. ENERGY: 4941400 774.0030 2068.5643 1936.6764 110.4021 -206654.1632 17873.9146 0.0000 0.0000 34550.7329 -149339.8699 301.7401 -183890.6028 -149242.6231 299.6800 35.8259 69.6010 556134.1946 4.4279 4.3892 PRESSURE: 4941600 -74.6238 -58.5471 -72.7294 -58.5476 -213.498 -77.2467 -72.7294 -77.2466 -136.771 GPRESSURE: 4941600 -46.8711 -129.887 12.0522 -42.965 -179.395 -114.224 -74.9134 2.20665 -102.114 PRESSAVG: 4941600 36.8703 12.8684 1.8147 12.8683 -38.9844 -26.7665 1.8147 -26.7665 25.1339 GPRESSAVG: 4941600 37.6104 12.8224 1.55881 11.5039 -40.461 -24.4864 1.61471 -27.1748 25.6012 TIMING: 4941600 CPU: 14835.1, 0.0029603/step Wall: 14835.1, 0.0029603/step, 0.0480227 hours remaining, 209.496094 MB of memory in use. ENERGY: 4941600 726.4603 2082.7538 1936.3466 119.3230 -206215.8136 17654.5166 0.0000 0.0000 34362.0055 -149334.4078 300.0919 -183696.4133 -149236.4547 299.3490 -141.6310 -109.4600 556717.2865 7.6733 7.5835 PRESSURE: 4941800 2.73694 33.7572 71.7445 33.757 31.9807 53.1767 71.745 53.1776 -54.3272 GPRESSURE: 4941800 30.3541 67.9155 79.5348 18.1893 50.9385 117.238 59.2127 57.7536 -16.9246 PRESSAVG: 4941800 15.6273 -40.2729 -38.0076 -40.2729 -45.577 6.02825 -38.0076 6.02834 12.3808 GPRESSAVG: 4941800 16.2743 -37.2709 -36.9492 -42.0677 -46.1537 4.53508 -37.701 6.62777 12.1779 TIMING: 4941800 CPU: 14835.7, 0.00298249/step Wall: 14835.7, 0.00298249/step, 0.0482169 hours remaining, 209.496094 MB of memory in use. ENERGY: 4941800 730.0686 2050.4251 1927.0567 116.7555 -206094.2973 17635.9871 0.0000 0.0000 34302.7219 -149331.2824 299.5742 -183634.0043 -149229.3839 299.3179 -6.5365 21.4560 555822.8434 -5.8563 -5.9005 PRESSURE: 4942000 -58.7741 -124.2 38.1601 -124.201 74.4887 149.635 38.1608 149.636 66.9005 GPRESSURE: 4942000 15.9497 -99.0681 84.8505 -92.0583 98.8991 92.5888 70.3866 100.63 65.7265 PRESSAVG: 4942000 -65.6715 -28.3795 26.586 -28.3796 15.6505 42.9035 26.5859 42.9034 18.0375 GPRESSAVG: 4942000 -66.1126 -29.1088 27.8627 -27.9339 16.8132 42.8842 26.545 41.9456 17.4433 TIMING: 4942000 CPU: 14836.2, 0.00298939/step Wall: 14836.2, 0.00298939/step, 0.0481623 hours remaining, 209.496094 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: 4942000 749.8498 2118.6406 1932.2299 105.5147 -206592.1494 17905.3468 0.0000 0.0000 34417.7717 -149362.7961 300.5790 -183780.5677 -149269.0411 298.9324 27.5384 60.1918 557021.4893 -10.6612 -10.6187 PRESSURE: 4942200 -84.5311 250.784 -43.2486 250.784 -95.4205 111.663 -43.2482 111.665 -174.289 GPRESSURE: 4942200 -83.88 296.862 -72.3205 203.649 -50.5493 130.106 -8.2187 148.659 -118.684 PRESSAVG: 4942200 21.4231 -30.0826 8.79203 -30.0826 26.0667 -14.5837 8.792 -14.5838 -55.6995 GPRESSAVG: 4942200 22.2532 -31.169 7.83707 -28.3427 25.4116 -15.2102 8.67577 -13.9316 -56.2832 TIMING: 4942200 CPU: 14836.8, 0.0029457/step Wall: 14836.8, 0.0029457/step, 0.0472949 hours remaining, 209.496094 MB of memory in use. ENERGY: 4942200 758.9362 2049.4300 1908.2541 109.4003 -206680.8451 17924.2684 0.0000 0.0000 34430.5349 -149500.0212 300.6904 -183930.5561 -149405.6457 298.8962 -118.0801 -84.3711 557053.5478 -2.7366 -2.8728 PRESSURE: 4942400 53.9394 8.2233 15.3135 8.22058 131.042 172.438 15.3142 172.438 -199.725 GPRESSURE: 4942400 93.229 -69.045 -46.7757 -63.4109 159.984 160.516 45.8748 200.939 -168.859 PRESSAVG: 4942400 3.90085 11.9696 -13.6928 11.9697 15.4722 8.2533 -13.6928 8.2534 -44.0151 GPRESSAVG: 4942400 2.78173 11.9374 -14.885 11.5049 15.3865 9.59301 -13.8238 7.31254 -42.5109 TIMING: 4942400 CPU: 14837.4, 0.00294696/step Wall: 14837.4, 0.00294696/step, 0.0471513 hours remaining, 209.496094 MB of memory in use. ENERGY: 4942400 749.9883 2138.5237 1940.4188 110.3845 -206682.2369 17975.0328 0.0000 0.0000 34249.0825 -149518.8063 299.1058 -183767.8888 -149423.6359 298.9314 -4.9144 28.1178 557621.2414 -8.2140 -8.1142 PRESSURE: 4942600 -167.696 -137.695 -28.5525 -137.693 6.84566 73.5699 -28.5527 73.568 16.9437 GPRESSURE: 4942600 -120.818 -144.991 1.13373 -99.3811 26.031 159.285 25.2979 9.16903 62.5825 PRESSAVG: 4942600 -71.5402 -4.98981 -10.1665 -4.98979 40.5572 42.4501 -10.1665 42.4499 42.0797 GPRESSAVG: 4942600 -71.2953 -3.89567 -9.68137 -5.31083 41.604 42.16 -10.455 42.1246 41.0788 TIMING: 4942600 CPU: 14838, 0.00296429/step Wall: 14838, 0.00296429/step, 0.0472639 hours remaining, 209.496094 MB of memory in use. ENERGY: 4942600 739.9983 2009.6832 1931.6591 116.2398 -206351.0165 17841.2240 0.0000 0.0000 34013.8046 -149698.4076 297.0510 -183712.2122 -149600.0505 298.7531 -47.9688 -10.7347 558176.8090 3.6989 3.7959 PRESSURE: 4942800 -128.053 21.5248 -95.8678 21.5251 -230.504 41.9784 -95.8678 41.98 21.9735 GPRESSURE: 4942800 -69.0688 49.4414 -36.6237 41.1968 -211.103 77.7534 -90.2209 55.5634 42.937 PRESSAVG: 4942800 -26.3698 28.0785 -19.5671 28.0785 31.2492 25.1446 -19.5672 25.1446 -16.5657 GPRESSAVG: 4942800 -25.8106 28.0687 -19.3201 27.5029 30.7712 23.9539 -18.1396 27.0007 -16.668 TIMING: 4942800 CPU: 14838.6, 0.00298397/step Wall: 14838.6, 0.00298397/step, 0.047412 hours remaining, 209.496094 MB of memory in use. ENERGY: 4942800 756.1322 2102.1288 1922.1472 105.6848 -206088.5576 17604.6527 0.0000 0.0000 34062.5747 -149535.2371 297.4769 -183597.8118 -149442.5932 298.4560 -112.1942 -79.0784 556861.0663 -3.8954 -3.9025 PRESSURE: 4943000 272.132 -89.1166 277.551 -89.1173 -16.5671 -104.691 277.55 -104.691 -28.9562 GPRESSURE: 4943000 311.197 -6.36965 209.725 -116.854 4.92768 -236.602 335.545 -17.778 10.7462 PRESSAVG: 4943000 0.0624482 8.53986 14.165 8.53987 -3.22978 -0.630199 14.165 -0.630256 17.0986 GPRESSAVG: 4943000 -0.390066 8.82221 13.9267 8.1888 -3.43116 0.103912 13.2123 -1.16155 17.1139 TIMING: 4943000 CPU: 14839.2, 0.00298342/step Wall: 14839.2, 0.00298342/step, 0.0472375 hours remaining, 209.496094 MB of memory in use. ENERGY: 4943000 758.8320 2081.6795 1924.1142 114.5737 -206191.1399 17833.2372 0.0000 0.0000 34016.5630 -149462.1402 297.0751 -183478.7032 -149368.5061 299.3296 75.5361 108.9569 557335.7554 4.6438 4.4309 PRESSURE: 4943200 -111.481 -97.4845 152.856 -97.4846 -114.513 -43.4143 152.854 -43.413 -23.0482 GPRESSURE: 4943200 -37.387 -47.9667 144.485 -57.1616 -131.684 61.7129 147.774 37.9802 4.08866 PRESSAVG: 4943200 -22.039 -29.8423 -6.03076 -29.8422 45.1274 -5.08275 -6.0307 -5.08279 -32.1211 GPRESSAVG: 4943200 -22.4353 -31.7839 -7.88548 -26.7132 45.0195 -2.50756 -4.4629 -6.89632 -31.6802 TIMING: 4943200 CPU: 14839.8, 0.00299006/step Wall: 14839.8, 0.00299006/step, 0.0471765 hours remaining, 209.496094 MB of memory in use. ENERGY: 4943200 712.4920 2079.1535 1917.4579 113.1014 -205972.2617 17512.7664 0.0000 0.0000 34130.7502 -149506.5402 298.0723 -183637.2905 -149414.7253 298.4616 -83.0140 -54.9942 556600.1535 -3.0109 -3.0320 PRESSURE: 4943400 36.6705 32.9419 76.4951 32.9417 51.89 -72.1648 76.4946 -72.165 -208.041 GPRESSURE: 4943400 67.6491 13.8107 86.1849 -87.4387 82.9439 -111.513 43.1601 -83.3632 -162.671 PRESSAVG: 4943400 -49.8142 25.3187 15.3009 25.3186 59.4671 -1.37601 15.3009 -1.37603 2.37022 GPRESSAVG: 4943400 -49.9404 24.9626 19.4586 21.7632 59.4176 -1.41573 14.0698 -1.76956 2.69894 TIMING: 4943400 CPU: 14840.4, 0.00298788/step Wall: 14840.4, 0.00298788/step, 0.0469762 hours remaining, 209.496094 MB of memory in use. ENERGY: 4943400 720.1817 2071.0338 1915.5252 103.2019 -206468.9333 17930.5795 0.0000 0.0000 34200.7689 -149527.6424 298.6838 -183728.4113 -149432.2115 298.0099 -39.8269 -4.0261 556527.9767 4.0077 4.0587 PRESSURE: 4943600 -48.333 11.7077 -9.68098 11.7063 -15.3694 12.6557 -9.68061 12.6563 323.181 GPRESSURE: 4943600 4.49849 -26.7281 -98.7014 17.6619 28.2806 59.5315 21.7601 -59.8833 318.847 PRESSAVG: 4943600 14.5923 38.5191 -20.562 38.5191 -6.77778 -45.2107 -20.5619 -45.2106 -26.0945 GPRESSAVG: 4943600 14.6742 37.8569 -21.0119 39.3453 -5.69788 -47.5721 -19.5602 -44.7339 -26.8686 TIMING: 4943600 CPU: 14841, 0.00301986/step Wall: 14841, 0.00301986/step, 0.0473111 hours remaining, 209.496094 MB of memory in use. ENERGY: 4943600 741.6057 2133.2162 1924.8595 118.6748 -206686.1226 17954.3954 0.0000 0.0000 34410.6110 -149402.7601 300.5164 -183813.3711 -149299.3266 298.7267 86.4927 117.2088 555758.8697 -6.0933 -5.9641 PRESSURE: 4943800 238.21 76.818 -167.208 76.8179 -50.2862 -164.029 -167.206 -164.029 98.3501 GPRESSURE: 4943800 287.314 -10.0674 -127.407 121.841 -16.2551 -171.666 -268.936 -127.989 96.4557 PRESSAVG: 4943800 39.5125 54.1642 20.7938 54.1642 -34.8449 3.57365 20.7938 3.57369 44.0163 GPRESSAVG: 4943800 38.7829 56.3432 19.633 54.5778 -35.6971 6.63895 18.7465 3.08265 45.0021 TIMING: 4943800 CPU: 14841.6, 0.00298589/step Wall: 14841.6, 0.00298589/step, 0.0466131 hours remaining, 209.496094 MB of memory in use. ENERGY: 4943800 713.6552 2087.1220 1922.9558 117.9189 -205969.7611 17726.6931 0.0000 0.0000 33942.0640 -149459.3523 296.4245 -183401.4162 -149358.7872 299.2919 95.4248 122.5049 555805.1152 16.2280 16.0293 PRESSURE: 4944000 -81.9592 -70.8164 -137.956 -70.817 -41.4425 122.02 -137.957 122.02 23.1565 GPRESSURE: 4944000 -45.9733 -150.641 -80.5227 -146.828 -16.211 71.982 -109.949 132.358 53.1922 PRESSAVG: 4944000 -7.37947 -22.2312 -7.01447 -22.2312 0.176215 -11.8065 -7.01449 -11.8066 46.3622 GPRESSAVG: 4944000 -6.74197 -23.1203 -7.42752 -22.1524 -0.803725 -13.9879 -4.50524 -10.5326 46.4652 TIMING: 4944000 CPU: 14842.2, 0.00298528/step Wall: 14842.2, 0.00298528/step, 0.0464377 hours remaining, 209.496094 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: 4944000 741.0014 2116.0059 1926.0432 104.4776 -206293.2260 17639.2404 0.0000 0.0000 34171.0087 -149595.4488 298.4239 -183766.4575 -149495.5446 298.5578 -33.4151 -2.9974 555542.8547 13.0530 12.9732 PRESSURE: 4944200 -92.4614 6.19352 -65.2087 6.19383 -229.379 -18.891 -65.2081 -18.8919 55.7749 GPRESSURE: 4944200 -16.6737 49.3756 -19.881 -33.4995 -178.841 28.9454 -119.26 18.9819 30.2742 PRESSAVG: 4944200 -29.5986 -13.2047 -20.9036 -13.2046 -23.5094 12.1335 -20.9036 12.1334 56.4984 GPRESSAVG: 4944200 -29.3063 -11.9494 -19.6468 -13.5045 -22.9462 13.5134 -21.9411 12.2327 55.9891 TIMING: 4944200 CPU: 14842.8, 0.00293475/step Wall: 14842.8, 0.00293475/step, 0.0454886 hours remaining, 209.496094 MB of memory in use. ENERGY: 4944200 730.3007 2098.1573 1902.1790 114.7988 -206384.8505 17790.1890 0.0000 0.0000 34097.9049 -149651.3209 297.7855 -183749.2258 -149555.1309 297.7024 -88.6886 -55.0802 557820.1229 1.1301 1.2455 LDB: ============= START OF LOAD BALANCING ============== 14846.3 LDB: ============== END OF LOAD BALANCING =============== 14846.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14846.3 LDB: ============= START OF LOAD BALANCING ============== 14846.6 LDB: Largest compute 4796 load 0.028651 is 24.2% of average load 0.118321 LDB: Average compute 0.001733 is 1.5% of average load 0.118321 LDB: TIME 14846.6 LOAD: AVG 0.118321 MAX 0.209996 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.293 MB LDB: TIME 14846.6 LOAD: AVG 0.118321 MAX 0.209996 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.496 MB LDB: TIME 14846.6 LOAD: AVG 0.118321 MAX 0.209996 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.496 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14846.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14846.6 PRESSURE: 4944400 -167.603 -65.1861 73.1747 -65.1877 -90.9503 93.2888 73.1746 93.2869 188.158 GPRESSURE: 4944400 -137.118 -12.2511 -7.81084 -46.6635 -63.3909 106.49 63.2135 95.8876 230.096 PRESSAVG: 4944400 23.664 56.3349 -40.6696 56.335 7.7087 -10.5963 -40.6696 -10.5963 -1.31594 GPRESSAVG: 4944400 24.0928 55.2769 -39.5777 58.2667 7.0951 -9.70808 -40.3597 -9.40604 -1.53901 TIMING: 4944400 CPU: 14843.4, 0.00302581/step Wall: 14843.4, 0.00302581/step, 0.0467319 hours remaining, 210.652344 MB of memory in use. ENERGY: 4944400 748.4473 2114.3672 1929.3703 108.6965 -206853.6336 17910.7517 0.0000 0.0000 34328.8724 -149713.1280 299.8026 -184042.0004 -149624.5109 298.5311 -23.4651 9.8625 555609.0896 10.0189 9.8830 PRESSURE: 4944600 -93.9256 61.2902 -9.47107 61.2904 275.278 -117.053 -9.47127 -117.052 2.48522 GPRESSURE: 4944600 -48.0092 -6.63132 26.8272 16.1313 253.111 -157.586 -86.9974 -91.7181 67.4729 PRESSAVG: 4944600 22.3107 44.3196 46.5933 44.3197 29.7259 45.1769 46.5933 45.1769 -58.9843 GPRESSAVG: 4944600 21.2515 44.1331 43.4525 43.7048 30.208 42.4618 45.5431 44.1415 -58.795 TIMING: 4944600 CPU: 14844, 0.00297336/step Wall: 14844, 0.00297336/step, 0.0457568 hours remaining, 210.855469 MB of memory in use. ENERGY: 4944600 756.6017 2106.6592 1920.3654 112.7954 -206886.9010 18077.4731 0.0000 0.0000 34387.6891 -149525.3171 300.3162 -183913.0062 -149431.3492 298.7689 61.2794 90.8583 557308.7110 -2.3159 -2.4452 PRESSURE: 4944800 -372.447 -10.3764 -7.54592 -10.3765 -43.5726 16.1867 -7.54618 16.186 -230.789 GPRESSURE: 4944800 -319.37 25.4707 39.2915 -78.8104 -37.7878 61.2442 -58.6082 -33.584 -187.494 PRESSAVG: 4944800 -6.91693 -1.13127 -15.4248 -1.13124 24.2293 27.5356 -15.4248 27.5356 0.479457 GPRESSAVG: 4944800 -5.66943 1.95904 -12.8401 -2.83826 23.8403 29.4971 -14.4791 27.1458 0.530607 TIMING: 4944800 CPU: 14844.6, 0.00297556/step Wall: 14844.6, 0.00297556/step, 0.0456252 hours remaining, 210.855469 MB of memory in use. ENERGY: 4944800 719.1887 2155.5967 1972.7380 125.7709 -206618.8346 17781.9994 0.0000 0.0000 34169.6051 -149693.9358 298.4117 -183863.5409 -149593.8725 298.8675 -215.6030 -181.5508 558444.9014 5.9306 6.2338 PRESSURE: 4945000 142.231 -5.51354 34.1333 -5.51381 -164.15 129.182 34.1337 129.181 239.764 GPRESSURE: 4945000 150.642 -87.0058 -6.81537 -5.93159 -110.031 165.86 21.5765 138.858 276.026 PRESSAVG: 4945000 -29.5469 -2.12526 91.1539 -2.12534 20.101 -4.41727 91.154 -4.41732 10.6659 GPRESSAVG: 4945000 -29.888 -4.31197 91.4383 0.146964 20.6372 -6.48515 91.6685 -2.28404 10.5072 TIMING: 4945000 CPU: 14845.2, 0.00298876/step Wall: 14845.2, 0.00298876/step, 0.0456616 hours remaining, 211.039062 MB of memory in use. ENERGY: 4945000 740.3059 2116.6299 1952.0277 110.0283 -206528.9208 18022.9178 0.0000 0.0000 33998.4550 -149588.5562 296.9170 -183587.0112 -149496.4166 298.0310 72.6151 105.5453 558195.8570 0.4067 0.4188 PRESSURE: 4945200 -47.2427 222.769 -70.4026 222.769 -43.8024 32.1804 -70.402 32.1813 -333.163 GPRESSURE: 4945200 -3.68334 245.196 -144.806 173.25 -59.769 -30.3035 -117.239 113.31 -253.555 PRESSAVG: 4945200 1.48197 61.9677 53.0593 61.9678 -41.1397 44.9713 53.0594 44.9712 75.6604 GPRESSAVG: 4945200 2.34823 62.0954 50.8608 61.106 -42.4256 46.3211 51.3595 42.6165 76.0014 TIMING: 4945200 CPU: 14845.8, 0.00295191/step Wall: 14845.8, 0.00295191/step, 0.0449347 hours remaining, 211.039062 MB of memory in use. ENERGY: 4945200 750.5907 2098.5035 1922.8606 112.9108 -206206.3435 17647.9467 0.0000 0.0000 33805.5314 -149867.9998 295.2321 -183673.5312 -149772.4946 298.3728 -141.4026 -105.6690 557963.5957 12.0009 11.9747 PRESSURE: 4945400 243.634 27.1915 -7.1474 27.1927 -4.32416 107.133 -7.14697 107.133 21.4752 GPRESSURE: 4945400 305.906 38.4103 8.56224 32.1052 -27.7514 80.793 65.7032 65.7051 77.0891 PRESSAVG: 4945400 -22.7275 -11.9154 70.5891 -11.9155 5.43581 15.5914 70.5892 15.5913 7.38862 GPRESSAVG: 4945400 -23.8712 -11.2469 70.2513 -12.422 5.83117 13.6472 73.8944 17.3407 8.54409 TIMING: 4945400 CPU: 14846.4, 0.00294753/step Wall: 14846.4, 0.00294753/step, 0.0447042 hours remaining, 211.039062 MB of memory in use. ENERGY: 4945400 734.0718 2074.5168 1900.3778 109.7390 -206741.6736 18052.3874 0.0000 0.0000 33928.2445 -149942.3362 296.3038 -183870.5807 -149850.6600 296.9452 86.9284 118.4145 558012.6240 -3.3010 -3.1653 PRESSURE: 4945600 -15.1412 -70.6756 253.023 -70.6766 -49.8782 -155.712 253.022 -155.711 30.6938 GPRESSURE: 4945600 8.32516 -101.396 235.017 -32.8635 -35.4935 -118.377 191.516 -92.7482 93.8789 PRESSAVG: 4945600 42.4066 40.032 69.1227 40.032 -13.7437 32.7008 69.1228 32.7008 -0.888568 GPRESSAVG: 4945600 42.475 38.7077 70.8572 41.3978 -13.2313 33.5595 65.638 33.4194 -1.45386 TIMING: 4945600 CPU: 14847, 0.00299218/step Wall: 14847, 0.00299218/step, 0.0452152 hours remaining, 211.039062 MB of memory in use. ENERGY: 4945600 744.0527 2109.9921 1922.5347 123.8993 -206800.0827 17915.9082 0.0000 0.0000 34046.4865 -149937.2092 297.3364 -183983.6957 -149835.8789 297.6922 -11.4419 22.2368 556416.4847 9.2581 9.2633 PRESSURE: 4945800 242.008 -52.3928 43.5929 -52.3936 -159.348 -20.7372 43.5925 -20.7383 51.2284 GPRESSURE: 4945800 211.196 -41.3759 19.5541 -16.7572 -81.1637 -15.8124 88.6193 -60.6359 108.262 PRESSAVG: 4945800 69.291 39.7293 53.6425 39.7294 -43.5303 30.5123 53.6426 30.5123 16.9486 GPRESSAVG: 4945800 69.4567 40.1977 53.0141 38.7033 -43.6858 30.689 54.9737 30.5007 16.8395 TIMING: 4945800 CPU: 14847.6, 0.00299981/step Wall: 14847.6, 0.00299981/step, 0.0451638 hours remaining, 211.039062 MB of memory in use. ENERGY: 4945800 742.3676 2122.9317 1933.6083 100.5526 -206677.1311 17760.9834 0.0000 0.0000 33969.7969 -150046.8906 296.6667 -184016.6875 -149949.0829 297.4231 44.6294 79.4313 554644.8401 14.2365 14.2035 PRESSURE: 4946000 -424.856 -6.80983 -54.3058 -6.80936 5.83329 63.598 -54.3064 63.5971 -125.01 GPRESSURE: 4946000 -385.199 100.536 -63.8353 -126.303 10.0504 -89.1918 -9.98325 22.2005 -72.0211 PRESSAVG: 4946000 -20.1202 -11.3293 44.1719 -11.3292 -3.0768 1.51047 44.1719 1.51043 14.65 GPRESSAVG: 4946000 -19.8399 -10.1341 43.9987 -12.2672 -3.72879 -0.862437 44.1393 -1.35259 14.9878 TIMING: 4946000 CPU: 14848.2, 0.00300923/step Wall: 14848.2, 0.00300923/step, 0.0451384 hours remaining, 211.039062 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: 4946000 754.7411 2051.6174 1922.0986 107.8481 -206486.9163 17635.5789 0.0000 0.0000 34131.4559 -149883.5764 298.0785 -184015.0323 -149788.0126 297.6817 -181.3442 -149.0565 555579.6747 -2.8490 -2.8603 PRESSURE: 4946200 -109.513 -30.8307 -31.4454 -30.8325 -332.208 55.9953 -31.4461 55.9962 8.73373 GPRESSURE: 4946200 -123.599 18.5841 -23.0045 -89.8579 -297.479 96.6822 -26.1982 -10.7398 76.7159 PRESSAVG: 4946200 -49.0197 8.79793 33.6661 8.79795 37.9555 41.8513 33.666 41.8515 11.9735 GPRESSAVG: 4946200 -49.7686 10.4878 34.2622 9.29736 39.9928 44.4809 33.1938 43.0158 10.6434 TIMING: 4946200 CPU: 14848.8, 0.00306439/step Wall: 14848.8, 0.00306439/step, 0.0457956 hours remaining, 211.039062 MB of memory in use. ENERGY: 4946200 739.9504 1999.3509 1924.3528 108.5489 -206568.3686 17661.5178 0.0000 0.0000 34182.1828 -149952.4649 298.5215 -184134.6478 -149858.2877 297.5308 -144.3290 -114.7872 555708.3298 0.3031 0.2892 PRESSURE: 4946400 -143.219 36.7267 -29.8429 36.7264 49.9112 67.2081 -29.8425 67.2082 -33.9247 GPRESSURE: 4946400 -107.921 68.2476 -69.4208 -47.2969 88.2035 67.8587 -9.6926 149.443 -11.9567 PRESSAVG: 4946400 -47.426 -1.0538 0.612986 -1.05374 10.956 27.6505 0.61293 27.6507 69.4211 GPRESSAVG: 4946400 -46.9957 -4.18763 1.03643 -2.09744 10.621 24.0488 -0.576452 29.5949 69.2464 TIMING: 4946400 CPU: 14849.4, 0.00305183/step Wall: 14849.4, 0.00305183/step, 0.0454384 hours remaining, 211.039062 MB of memory in use. ENERGY: 4946400 755.7004 2074.5054 1941.3794 107.1422 -206639.8603 17903.9035 0.0000 0.0000 34091.3260 -149765.9033 297.7280 -183857.2293 -149671.6569 298.3171 -42.4108 -10.5582 556899.2358 10.9837 10.9572 PRESSURE: 4946600 -139.456 209.932 -74.369 209.932 -74.773 -40.5625 -74.3691 -40.5625 61.0923 GPRESSURE: 4946600 -28.9772 161.442 -16.6392 303.353 -122.516 20.696 -63.6566 -117.068 98.8885 PRESSAVG: 4946600 16.6633 42.4771 48.2496 42.4772 -14.4629 16.5231 48.2496 16.5232 -5.49701 GPRESSAVG: 4946600 15.8515 40.6496 47.6718 45.006 -15.0595 19.5778 49.815 13.1985 -4.9885 TIMING: 4946600 CPU: 14850, 0.00300413/step Wall: 14850, 0.00300413/step, 0.0445613 hours remaining, 211.039062 MB of memory in use. ENERGY: 4946600 699.1413 2111.3686 1925.9968 108.0225 -206609.2218 17772.6977 0.0000 0.0000 34127.0809 -149864.9140 298.0403 -183991.9949 -149763.5499 298.1528 -51.0455 -17.5349 556156.1502 -1.0989 -1.3988 PRESSURE: 4946800 86.8822 3.62645 -41.9069 3.6268 -61.5297 -26.1862 -41.9069 -26.1851 -104.591 GPRESSURE: 4946800 113.427 1.3517 -4.3157 -4.28799 -16.2871 -28.8516 -47.5043 -28.2185 -79.2691 PRESSAVG: 4946800 21.2711 3.43319 11.1043 3.43331 -39.1564 9.10753 11.1043 9.1076 46.6305 GPRESSAVG: 4946800 21.4702 5.76526 10.7067 2.86007 -38.5266 9.13401 10.4857 10.4295 45.3539 TIMING: 4946800 CPU: 14850.6, 0.00302315/step Wall: 14850.6, 0.00302315/step, 0.0446754 hours remaining, 211.039062 MB of memory in use. ENERGY: 4946800 788.9366 2097.2559 1923.3729 103.1465 -206584.1654 17886.5661 0.0000 0.0000 34165.1070 -149619.7804 298.3724 -183784.8874 -149526.7543 297.5332 -26.4127 5.9570 556780.4626 9.5817 9.4325 PRESSURE: 4947000 -213.043 -49.1041 -58.0914 -49.104 -123.954 62.8074 -58.0904 62.808 -274.387 GPRESSURE: 4947000 -211.72 26.0047 -99.2061 -50.4684 -103.88 45.2674 -38.3758 108.411 -196.798 PRESSAVG: 4947000 1.2529 -23.1505 -25.6617 -23.1505 10.0178 47.4022 -25.6617 47.4022 -29.9871 GPRESSAVG: 4947000 1.70124 -24.18 -24.5848 -22.4217 8.5603 47.2658 -24.7548 46.697 -28.9878 TIMING: 4947000 CPU: 14851.2, 0.00300116/step Wall: 14851.2, 0.00300116/step, 0.0441837 hours remaining, 211.039062 MB of memory in use. ENERGY: 4947000 751.4509 2086.4493 1921.6782 120.4956 -206166.3061 17464.0069 0.0000 0.0000 34343.1830 -149479.0423 299.9276 -183822.2253 -149385.8619 298.4416 -203.7945 -170.7993 556898.4931 -6.2388 -6.2421 PRESSURE: 4947200 -0.360949 -35.3335 107.89 -35.3332 169.619 -69.646 107.889 -69.6445 170.266 GPRESSURE: 4947200 46.766 66.5527 36.4803 -97.1191 261.633 -18.9429 138.957 -67.1143 133.345 PRESSAVG: 4947200 -25.9533 1.57966 25.92 1.57962 55.9224 35.9892 25.92 35.9891 -31.4897 GPRESSAVG: 4947200 -25.4433 3.3179 25.5452 0.956129 55.9309 36.5506 24.084 34.8537 -32.5194 TIMING: 4947200 CPU: 14851.8, 0.00297878/step Wall: 14851.8, 0.00297878/step, 0.0436888 hours remaining, 211.039062 MB of memory in use. ENERGY: 4947200 726.7310 2124.6947 1954.3709 103.4457 -206715.0544 18009.9260 0.0000 0.0000 34228.0572 -149567.8289 298.9221 -183795.8861 -149468.9945 298.5195 113.1748 147.2482 556860.1031 -0.5069 -0.6773 PRESSURE: 4947400 122.243 21.3462 8.23969 21.347 -303.927 129.462 8.24105 129.463 -2.06945 GPRESSURE: 4947400 174.071 78.1782 63.4181 0.20373 -282.946 143.94 59.4248 123.427 5.55424 PRESSAVG: 4947400 -7.93162 -51.1184 15.0442 -51.1183 28.3144 47.6606 15.0442 47.6606 -14.144 GPRESSAVG: 4947400 -9.32998 -51.7627 15.0458 -50.1429 28.3012 46.4434 16.3566 49.5799 -12.8805 TIMING: 4947400 CPU: 14852.4, 0.00297359/step Wall: 14852.4, 0.00297359/step, 0.0434475 hours remaining, 211.039062 MB of memory in use. ENERGY: 4947400 753.9828 2102.8616 1952.5505 115.5306 -206672.4782 17770.4460 0.0000 0.0000 34272.4744 -149704.6322 299.3100 -183977.1066 -149608.9429 298.3972 -61.2513 -34.4402 556745.5324 2.0796 2.0302 PRESSURE: 4947600 98.2287 -141.303 3.20982 -141.303 287.368 -90.0396 3.20894 -90.0395 168.848 GPRESSURE: 4947600 107.65 -204.082 -74.2078 -110.524 380.786 -97.8309 -17.1601 -104.17 169.86 PRESSAVG: 4947600 -10.8422 18.9973 30.0709 18.9973 -8.29343 -28.9657 30.0708 -28.9657 33.8179 GPRESSAVG: 4947600 -11.04 19.7885 29.2039 18.6726 -8.52731 -27.8073 30.9255 -30.0506 33.7045 TIMING: 4947600 CPU: 14853, 0.0029752/step Wall: 14853, 0.0029752/step, 0.0433057 hours remaining, 211.039062 MB of memory in use. ENERGY: 4947600 735.9920 2068.6851 1918.1961 114.7280 -206855.8622 18206.0250 0.0000 0.0000 34152.2239 -149660.0121 298.2599 -183812.2359 -149557.5607 298.1709 184.8147 219.4321 556838.1624 4.8941 4.7124 PRESSURE: 4947800 42.3733 -12.0938 -36.8579 -12.0931 -62.4905 -167.546 -36.8582 -167.545 24.4895 GPRESSURE: 4947800 70.2421 34.6317 -32.0983 60.7389 -8.42436 -150.587 -141.415 -188.865 35.4583 PRESSAVG: 4947800 29.7273 38.448 -14.8282 38.4481 -56.1921 -36.2725 -14.8281 -36.2724 56.41 GPRESSAVG: 4947800 28.2013 37.7428 -14.3395 38.8988 -54.8621 -37.492 -15.1531 -35.508 56.4332 TIMING: 4947800 CPU: 14853.6, 0.00295456/step Wall: 14853.6, 0.00295456/step, 0.0428411 hours remaining, 211.039062 MB of memory in use. ENERGY: 4947800 706.9695 2081.3683 1935.1100 103.4681 -206273.8914 17736.1177 0.0000 0.0000 34119.0560 -149591.8019 297.9702 -183710.8579 -149500.2155 297.7991 1.4574 32.4253 557487.8571 9.9817 9.9241 PRESSURE: 4948000 -284.11 221.475 -160.236 221.474 55.5133 29.0595 -160.238 29.0604 195.637 GPRESSURE: 4948000 -287.858 295.653 -189.562 243.216 128.256 22.3938 -136.274 24.9415 218.833 PRESSAVG: 4948000 -69.3453 83.0173 19.0174 83.0173 34.5991 -42.3563 19.0173 -42.3562 41.5051 GPRESSAVG: 4948000 -67.2954 81.1012 20.3817 82.3512 32.2861 -40.4163 17.7086 -43.1772 41.4966 TIMING: 4948000 CPU: 14854.2, 0.00300129/step Wall: 14854.2, 0.00300129/step, 0.043352 hours remaining, 211.039062 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: 4948000 744.0528 2026.3546 1920.9083 104.3126 -206118.4680 17666.5430 0.0000 0.0000 34125.4408 -149530.8560 298.0260 -183656.2968 -149436.7777 298.2119 -10.9866 19.7439 558266.1667 2.2530 2.1624 PRESSURE: 4948200 -56.9858 86.5433 -7.81492 86.5425 11.4037 -258.12 -7.81654 -258.119 167.546 GPRESSURE: 4948200 -5.84337 112.608 7.45996 -23.5704 50.8076 -169.754 5.80876 -259.798 179.584 PRESSAVG: 4948200 -17.8157 57.2535 -43.4731 57.2535 -17.4736 -48.495 -43.4731 -48.4949 30.6653 GPRESSAVG: 4948200 -18.1795 59.0144 -44.2561 55.8036 -16.8291 -47.628 -42.3213 -47.6336 30.7195 TIMING: 4948200 CPU: 14854.8, 0.00302553/step Wall: 14854.8, 0.00302553/step, 0.043534 hours remaining, 211.039062 MB of memory in use. ENERGY: 4948200 735.4015 2081.2933 1948.6794 115.4285 -206333.6577 17903.5542 0.0000 0.0000 34060.0838 -149489.2171 297.4552 -183549.3008 -149392.3090 298.6308 40.6548 74.8493 556927.9635 -1.5413 -1.4297 LDB: ============= START OF LOAD BALANCING ============== 14858.3 LDB: ============== END OF LOAD BALANCING =============== 14858.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14858.3 LDB: ============= START OF LOAD BALANCING ============== 14858.6 LDB: Largest compute 4796 load 0.026332 is 22.3% of average load 0.118240 LDB: Average compute 0.001725 is 1.5% of average load 0.118240 LDB: TIME 14858.6 LOAD: AVG 0.11824 MAX 0.208945 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.207 MB LDB: TIME 14858.6 LOAD: AVG 0.11824 MAX 0.208945 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.41 MB LDB: TIME 14858.6 LOAD: AVG 0.11824 MAX 0.208945 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.41 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14858.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14858.6 PRESSURE: 4948400 88.6733 291.328 74.8386 291.328 150.851 -89.5316 74.8387 -89.5316 -40.3051 GPRESSURE: 4948400 33.2595 276.699 110.286 226.564 252.894 -124.145 -26.007 -168.1 11.6056 PRESSAVG: 4948400 24.6333 39.3949 -12.9291 39.3949 -36.7013 -24.2127 -12.9291 -24.2127 4.24036 GPRESSAVG: 4948400 25.1137 41.3165 -12.9647 38.9118 -35.2234 -24.2677 -12.1406 -24.9856 2.2341 TIMING: 4948400 CPU: 14855.4, 0.00304475/step Wall: 14855.4, 0.00304475/step, 0.0436414 hours remaining, 209.101562 MB of memory in use. ENERGY: 4948400 752.3743 2097.1815 1925.1771 103.1960 -206603.8472 18053.2419 0.0000 0.0000 34224.6633 -149448.0132 298.8925 -183672.6765 -149360.0542 298.9730 66.4065 99.2529 556782.7496 -2.6092 -2.6252 PRESSURE: 4948600 -76.0543 227.832 111.587 227.831 373.185 -75.9804 111.587 -75.9824 303.986 GPRESSURE: 4948600 -62.8668 243.529 81.9731 218.091 370.202 -28.3735 118.996 -86.4185 398.464 PRESSAVG: 4948600 -8.77755 4.58447 38.4304 4.58457 -32.4021 -31.9173 38.4304 -31.9171 56.1139 GPRESSAVG: 4948600 -8.11029 2.61314 38.6101 6.00484 -33.7797 -33.5164 36.1605 -29.5223 57.6821 TIMING: 4948600 CPU: 14856, 0.00299623/step Wall: 14856, 0.00299623/step, 0.0427795 hours remaining, 209.101562 MB of memory in use. ENERGY: 4948600 695.7333 2065.7571 1909.9403 113.5629 -206605.5138 18154.3562 0.0000 0.0000 34363.0342 -149303.1297 300.1009 -183666.1639 -149212.3021 298.7808 200.3722 235.2664 556759.1262 4.9781 5.2640 PRESSURE: 4948800 -95.2339 3.66395 -17.9836 3.66556 -162.457 60.8911 -17.984 60.891 71.8737 GPRESSURE: 4948800 -107.742 -10.3981 28.3934 -31.7164 -106.35 85.2473 -94.1433 66.638 115.664 PRESSAVG: 4948800 -5.85083 23.0019 3.90206 23.0019 -30.4579 -113.981 3.90193 -113.981 40.4125 GPRESSAVG: 4948800 -7.31366 22.5272 5.44796 23.1235 -27.9722 -113.087 4.33282 -115.906 39.2217 TIMING: 4948800 CPU: 14856.6, 0.00300313/step Wall: 14856.6, 0.00300313/step, 0.0427111 hours remaining, 209.101562 MB of memory in use. ENERGY: 4948800 753.3028 2098.9440 1908.5163 109.5627 -206208.3741 17635.8424 0.0000 0.0000 34480.6315 -149221.5744 301.1279 -183702.2059 -149128.1326 299.4525 -61.9392 -32.8095 558852.6676 1.3679 1.3119 PRESSURE: 4949000 162.445 58.6061 48.5882 58.6045 175.579 -108.754 48.5886 -108.754 -149.936 GPRESSURE: 4949000 163.754 -34.3277 40.6058 -37.1194 178.885 -91.1317 128.004 -60.271 -48.8891 PRESSAVG: 4949000 18.8145 24.0809 -6.32094 24.0809 55.8489 -32.401 -6.3209 -32.4011 -36.2672 GPRESSAVG: 4949000 19.8366 25.0581 -8.15312 23.5239 54.6994 -32.0052 -4.99762 -32.0909 -36.2451 TIMING: 4949000 CPU: 14857.2, 0.00298881/step Wall: 14857.2, 0.00298881/step, 0.0423415 hours remaining, 209.101562 MB of memory in use. ENERGY: 4949000 757.5898 2064.4886 1935.7887 122.1765 -205930.0607 17824.0611 0.0000 0.0000 34216.1291 -149009.8269 298.8180 -183225.9560 -148920.1685 299.4204 62.6962 97.9167 556858.1730 12.7987 12.7636 PRESSURE: 4949200 -49.6027 -158.61 151.19 -158.611 115.55 22.2653 151.191 22.264 -117.575 GPRESSURE: 4949200 -6.11501 -188.467 39.2449 -171.656 138.14 33.7761 142.277 81.0227 -89.209 PRESSAVG: 4949200 -5.24302 15.178 77.1714 15.1779 40.5587 7.35698 77.1714 7.35707 -60.7726 GPRESSAVG: 4949200 -4.63495 14.7649 76.4391 16.2261 39.0337 4.24753 74.7674 8.8789 -59.9737 TIMING: 4949200 CPU: 14857.8, 0.00298236/step Wall: 14857.8, 0.00298236/step, 0.0420844 hours remaining, 209.101562 MB of memory in use. ENERGY: 4949200 725.2916 2153.3503 1922.2663 107.0738 -205575.3328 17474.2427 0.0000 0.0000 34280.5412 -148912.5669 299.3805 -183193.1081 -148810.8922 299.9127 -17.2094 14.2720 558780.5171 -8.4856 -8.5250 PRESSURE: 4949400 177.402 -67.7979 52.2491 -67.7976 -161.152 -57.5421 52.2481 -57.5434 -222.107 GPRESSURE: 4949400 193.131 -50.776 45.71 -97.7173 -136.858 -86.8098 8.6218 -71.4041 -169.323 PRESSAVG: 4949400 -8.78528 -47.4848 -12.193 -47.4847 52.2759 8.35827 -12.1931 8.35827 -33.7006 GPRESSAVG: 4949400 -10.3127 -47.945 -10.2469 -47.7989 53.7813 11.0347 -10.2618 6.26446 -33.8293 TIMING: 4949400 CPU: 14858.4, 0.00299155/step Wall: 14858.4, 0.00299155/step, 0.0420478 hours remaining, 209.101562 MB of memory in use. ENERGY: 4949400 725.9450 2104.8197 1937.6684 110.1958 -205601.0949 17538.4588 0.0000 0.0000 34076.2072 -149107.8002 297.5960 -183184.0073 -149011.9696 299.2404 -68.6189 -37.6834 557619.8326 3.2634 3.2131 PRESSURE: 4949600 -133.04 222.832 -171.752 222.831 -186.823 52.4878 -171.752 52.4875 -90.2583 GPRESSURE: 4949600 -149.45 240.688 -168.988 239.969 -109.531 110.616 -169.394 21.2428 -54.3177 PRESSAVG: 4949600 -0.406206 32.1614 0.879473 32.1614 45.3548 46.7358 0.879501 46.7359 -63.777 GPRESSAVG: 4949600 -0.53148 33.821 -1.29134 31.1925 46.0844 45.0718 0.462257 49.062 -64.2297 TIMING: 4949600 CPU: 14859, 0.00303553/step Wall: 14859, 0.00303553/step, 0.0424974 hours remaining, 209.101562 MB of memory in use. ENERGY: 4949600 773.1725 2052.2840 1946.1856 104.1449 -206054.6644 17800.2447 0.0000 0.0000 34232.5354 -149146.0972 298.9612 -183378.6326 -149042.2348 298.8316 -136.7069 -104.4329 557640.5599 -6.2761 -6.2256 PRESSURE: 4949800 -125.622 -92.2719 30.3282 -92.2723 352.684 89.7543 30.3285 89.7546 -120.61 GPRESSURE: 4949800 -92.9004 -15.4928 -40.7908 -53.1934 403.207 113.609 105.379 67.8149 -96.0149 PRESSAVG: 4949800 -9.59477 8.0953 3.04318 8.09523 12.7138 4.33518 3.04322 4.33527 -7.73382 GPRESSAVG: 4949800 -9.51998 7.75831 5.54596 9.7072 11.9725 7.43552 3.32879 2.12964 -6.7531 TIMING: 4949800 CPU: 14859.6, 0.00299237/step Wall: 14859.6, 0.00299237/step, 0.0417269 hours remaining, 209.101562 MB of memory in use. ENERGY: 4949800 768.3119 2086.3514 1918.0455 116.0970 -206302.6615 17919.9619 0.0000 0.0000 34415.0483 -149078.8454 300.5552 -183493.8937 -148984.1603 299.9714 35.4841 71.4304 556678.7057 -1.5383 -1.4335 PRESSURE: 4950000 207.86 102.636 -37.1714 102.636 -54.9686 170.518 -37.1719 170.519 -12.8433 GPRESSURE: 4950000 219.896 23.4256 36.7411 163.885 -12.3457 148.97 -73.6307 155.335 21.4756 PRESSAVG: 4950000 -28.3834 21.9331 17.0494 21.9331 62.4036 -23.5976 17.0494 -23.5977 -76.7883 GPRESSAVG: 4950000 -28.1571 18.4023 14.4888 23.1335 61.6627 -23.717 18.7771 -21.6844 -76.1239 TIMING: 4950000 CPU: 14860.2, 0.00300573/step Wall: 14860.2, 0.00300573/step, 0.0417463 hours remaining, 209.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4950000 753.9798 2081.7990 1931.2358 105.9323 -206199.0722 17968.8902 0.0000 0.0000 34322.7336 -149034.5015 299.7490 -183357.2351 -148939.8898 299.4782 46.6827 76.3421 557339.5607 -14.2560 -14.2061 PRESSURE: 4950200 62.2272 149.355 -5.6431 149.355 214.48 -181.022 -5.6424 -181.024 -76.9888 GPRESSURE: 4950200 15.6118 125.859 -19.8263 98.0633 239.34 -204.808 -16.0862 -196.87 35.2128 PRESSAVG: 4950200 35.1229 18.818 -51.4026 18.8179 43.3928 -25.0278 -51.4028 -25.0278 -11.9656 GPRESSAVG: 4950200 35.0236 23.4657 -49.9133 14.9891 44.2943 -26.1086 -53.5706 -25.4908 -12.2754 TIMING: 4950200 CPU: 14860.8, 0.0029976/step Wall: 14860.8, 0.0029976/step, 0.0414668 hours remaining, 209.101562 MB of memory in use. ENERGY: 4950200 757.3903 2142.7065 1875.7851 123.0027 -205934.7369 17770.1713 0.0000 0.0000 34204.1417 -149061.5393 298.7133 -183265.6811 -148970.4525 299.4269 66.5729 96.7214 556367.6569 22.1834 22.3475 PRESSURE: 4950400 138.949 -19.4587 -76.1891 -19.459 78.1626 -113.128 -76.1893 -113.128 240.796 GPRESSURE: 4950400 154.74 -99.8644 -31.7115 36.7906 123.102 -67.2049 -150.793 -136.654 292.025 PRESSAVG: 4950400 -47.0624 -6.66865 -93.7707 -6.66869 58.7922 11.8812 -93.7708 11.8812 -33.7905 GPRESSAVG: 4950400 -46.0328 -10.4946 -92.6274 -5.05169 57.55 13.2433 -95.3216 9.97978 -33.4098 TIMING: 4950400 CPU: 14861.4, 0.00300646/step Wall: 14861.4, 0.00300646/step, 0.0414223 hours remaining, 209.101562 MB of memory in use. ENERGY: 4950400 739.1161 2066.6785 1912.0074 116.7456 -206141.0052 17833.8800 0.0000 0.0000 34389.0263 -149083.5513 300.3279 -183472.5777 -148985.4341 299.8885 152.6357 189.9555 555036.0752 -7.3536 -7.2975 PRESSURE: 4950600 -167.156 68.7227 61.0612 68.7217 -135.238 5.10083 61.0613 5.09942 -298.858 GPRESSURE: 4950600 -139.273 67.3856 78.4744 144.088 -122.822 -35.1176 28.4736 -59.3416 -236.232 PRESSAVG: 4950600 -6.41849 14.9223 -14.7522 14.9223 66.764 -0.15848 -14.7523 -0.15843 -27.1283 GPRESSAVG: 4950600 -6.83122 16.969 -15.4121 14.8021 68.3287 -1.62677 -13.3513 0.441784 -27.4881 TIMING: 4950600 CPU: 14862, 0.00298889/step Wall: 14862, 0.00298889/step, 0.0410142 hours remaining, 209.304688 MB of memory in use. ENERGY: 4950600 735.9494 2099.3751 1912.7817 114.8719 -205947.8613 17681.2911 0.0000 0.0000 34208.4069 -149195.1852 298.7505 -183403.5921 -149095.1562 299.8947 -200.4171 -166.1090 558306.1723 11.0724 11.3365 PRESSURE: 4950800 59.8768 -42.7618 81.2355 -42.7621 110.138 -100.57 81.2344 -100.57 26.1772 GPRESSURE: 4950800 152.249 -87.9604 112.753 -13.8858 102.118 -145.336 5.44691 -28.3291 38.5775 PRESSAVG: 4950800 13.8146 -7.8039 5.22914 -7.80387 51.2876 -31.4244 5.22913 -31.4245 -81.4575 GPRESSAVG: 4950800 13.9919 -10.0895 4.57233 -7.06133 50.9256 -32.2411 3.60873 -29.8557 -80.9578 TIMING: 4950800 CPU: 14862.6, 0.00298884/step Wall: 14862.6, 0.00298884/step, 0.0408474 hours remaining, 209.304688 MB of memory in use. ENERGY: 4950800 739.8250 2093.9227 1951.1034 136.5509 -206077.8652 17808.7705 0.0000 0.0000 34309.1514 -149038.5411 299.6304 -183347.6925 -148944.9494 299.7912 65.3972 97.6483 555823.7656 -5.4517 -5.3468 PRESSURE: 4951000 -79.3517 -118.689 -4.3126 -118.689 -239.643 -83.9276 -4.31246 -83.9262 -169.75 GPRESSURE: 4951000 -8.72183 -43.414 -25.1093 -114.587 -233.929 -66.6768 15.4382 -129.084 -161.105 PRESSAVG: 4951000 43.3461 0.148933 34.7404 0.148927 -47.0615 -26.2874 34.7405 -26.2874 8.8138 GPRESSAVG: 4951000 43.2522 0.585286 34.5828 0.110643 -47.3339 -24.3966 37.3554 -26.7803 8.8822 TIMING: 4951000 CPU: 14863.2, 0.00297284/step Wall: 14863.2, 0.00297284/step, 0.0404637 hours remaining, 209.304688 MB of memory in use. ENERGY: 4951000 764.2318 2102.1837 1967.4556 136.6144 -206008.3326 17534.5359 0.0000 0.0000 34664.4108 -148838.9004 302.7329 -183503.3111 -148743.3571 300.7308 -162.9150 -134.5851 557730.0757 1.6995 1.6002 PRESSURE: 4951200 -77.6187 -21.1993 -177.057 -21.1998 -118.011 -86.6272 -177.057 -86.6265 -98.8564 GPRESSURE: 4951200 0.874331 -52.397 -168.717 54.0713 -94.1499 -159.974 -162.001 -56.6097 -110.105 PRESSAVG: 4951200 52.5701 -14.7929 12.0622 -14.7929 -66.9029 -7.13267 12.0621 -7.13271 2.85014 GPRESSAVG: 4951200 52.4541 -15.2201 12.1971 -16.4569 -66.9786 -5.6774 10.3703 -6.47092 2.68743 TIMING: 4951200 CPU: 14863.8, 0.00297658/step Wall: 14863.8, 0.00297658/step, 0.0403492 hours remaining, 209.304688 MB of memory in use. ENERGY: 4951200 746.6965 2089.5404 1950.8504 118.9077 -205762.2671 17627.5137 0.0000 0.0000 34301.9298 -148926.8286 299.5673 -183228.7583 -148830.1319 300.5126 -98.1621 -67.7934 557005.4617 -3.8276 -3.9457 PRESSURE: 4951400 -307.177 -22.6751 -15.8406 -22.6761 -70.8019 39.6238 -15.8423 39.6255 -72.0402 GPRESSURE: 4951400 -311.662 3.01637 -36.1525 -1.42262 -22.5391 21.3424 -75.8088 -2.65129 -26.4232 PRESSAVG: 4951400 -11.4018 -34.9641 8.74348 -34.964 -30.1367 -54.5211 8.74338 -54.5209 67.6325 GPRESSAVG: 4951400 -10.3879 -33.4811 8.84049 -35.9113 -32.0736 -56.4307 8.46871 -55.2558 68.7659 TIMING: 4951400 CPU: 14864.4, 0.00299249/step Wall: 14864.4, 0.00299249/step, 0.0403986 hours remaining, 209.304688 MB of memory in use. ENERGY: 4951400 752.8921 2079.5323 1978.4969 111.0925 -205714.9751 17512.1818 0.0000 0.0000 34373.5376 -148907.2420 300.1927 -183280.7796 -148810.7366 300.2167 -150.0065 -120.2080 556920.2018 8.6980 8.7681 PRESSURE: 4951600 137.497 -2.13141 -42.8437 -2.13177 -231.731 120.376 -42.8442 120.378 -94.9537 GPRESSURE: 4951600 166.371 -82.7839 -56.2582 74.1415 -164.101 127.073 26.4843 98.121 -89.4717 PRESSAVG: 4951600 29.571 0.434231 -11.3176 0.434267 -35.6476 -2.27632 -11.3176 -2.27628 7.92413 GPRESSAVG: 4951600 29.2457 0.565685 -12.7695 1.55194 -33.5094 -2.52311 -10.4991 -0.749942 6.17166 TIMING: 4951600 CPU: 14865, 0.00297681/step Wall: 14865, 0.00297681/step, 0.0400216 hours remaining, 209.304688 MB of memory in use. ENERGY: 4951600 758.1887 2061.3631 1921.1941 106.1362 -205743.2976 17552.7865 0.0000 0.0000 34106.7924 -149236.8367 297.8631 -183343.6291 -149146.3061 299.9381 -63.0628 -29.0674 556274.7676 0.6159 0.6360 PRESSURE: 4951800 -322.74 117.227 40.143 117.227 108.351 -28.0945 40.1429 -28.0954 -243.7 GPRESSURE: 4951800 -257.072 90.2248 72.6609 125.801 104.589 -41.5946 98.8803 38.2242 -207.746 PRESSAVG: 4951800 -40.5387 -7.09803 10.6855 -7.09798 2.98018 25.9005 10.6855 25.9005 -12.1325 GPRESSAVG: 4951800 -40.2898 -7.01799 10.9996 -5.60217 2.48114 26.0987 9.90611 25.2869 -12.1269 TIMING: 4951800 CPU: 14865.6, 0.0029906/step Wall: 14865.6, 0.0029906/step, 0.0400408 hours remaining, 209.507812 MB of memory in use. ENERGY: 4951800 734.9699 2083.4006 1919.1834 123.3047 -205814.1682 17575.9520 0.0000 0.0000 34361.3745 -149015.9830 300.0864 -183377.3575 -148927.3738 299.6655 -152.6962 -120.0765 557256.6418 -16.5637 -16.6452 PRESSURE: 4952000 -99.166 49.5137 133.741 49.5142 40.6972 -127.395 133.742 -127.393 -43.8122 GPRESSURE: 4952000 -80.1193 -15.6723 128.338 116.823 82.2823 -76.4382 109.865 -168.797 -2.5965 PRESSAVG: 4952000 -27.8715 3.91584 3.69494 3.91574 28.3741 7.84706 3.69498 7.84698 11.2814 GPRESSAVG: 4952000 -28.4834 1.18702 3.12209 5.2428 29.8713 6.62316 4.05716 7.77968 11.2513 TIMING: 4952000 CPU: 14866.2, 0.00298343/step Wall: 14866.2, 0.00298343/step, 0.0397791 hours remaining, 209.507812 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: 4952000 751.5508 2087.2735 1921.1739 104.9005 -205647.8910 17702.2694 0.0000 0.0000 34212.2153 -148868.5077 298.7838 -183080.7230 -148772.9339 299.7666 -34.0937 -0.1445 559082.6609 3.9280 4.2131 PRESSURE: 4952200 78.2356 2.57669 91.2041 2.57723 10.1412 -84.5663 91.2048 -84.5664 -90.8664 GPRESSURE: 4952200 82.0978 -49.1242 111.57 39.8139 47.448 -26.5459 46.5429 -58.2725 -36.0119 PRESSAVG: 4952200 -22.1988 31.8131 -0.999518 31.8131 -4.09444 -43.5093 -0.999504 -43.5094 31.8334 GPRESSAVG: 4952200 -21.5132 34.1062 0.879551 29.1013 -5.05899 -42.4948 0.829317 -46.1799 32.3344 TIMING: 4952200 CPU: 14866.8, 0.00301441/step Wall: 14866.8, 0.00301441/step, 0.0400247 hours remaining, 209.507812 MB of memory in use. ENERGY: 4952200 754.4102 2100.6316 1944.9339 118.3259 -205936.7656 17679.1594 0.0000 0.0000 34452.9501 -148886.3544 300.8862 -183339.3045 -148793.4935 300.1989 -0.8299 31.1780 556875.7567 1.8467 1.9207 LDB: ============= START OF LOAD BALANCING ============== 14870.3 LDB: ============== END OF LOAD BALANCING =============== 14870.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14870.3 LDB: ============= START OF LOAD BALANCING ============== 14870.6 LDB: Largest compute 4796 load 0.028837 is 24.4% of average load 0.118230 LDB: Average compute 0.001731 is 1.5% of average load 0.118230 LDB: TIME 14870.6 LOAD: AVG 0.11823 MAX 0.216844 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.234 MB LDB: TIME 14870.6 LOAD: AVG 0.11823 MAX 0.216844 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.438 MB LDB: TIME 14870.6 LOAD: AVG 0.11823 MAX 0.216844 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.438 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14870.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14870.6 PRESSURE: 4952400 -84.3458 50.1331 -251.827 50.1324 60.9824 62.038 -251.828 62.0371 -172.215 GPRESSURE: 4952400 7.7906 -3.77485 -231.123 79.3922 11.6396 27.9101 -204.257 113.013 -124.528 PRESSAVG: 4952400 19.1804 19.6731 15.2384 19.6731 -1.59392 -58.3463 15.2384 -58.3464 -17.6887 GPRESSAVG: 4952400 19.1261 18.844 15.9754 19.8495 -1.54945 -59.7617 14.6035 -54.7368 -17.4542 TIMING: 4952400 CPU: 14867.4, 0.00311155/step Wall: 14867.4, 0.00311155/step, 0.0411416 hours remaining, 209.234375 MB of memory in use. ENERGY: 4952400 730.1350 2056.4893 1947.2737 99.2176 -205888.8416 17651.9806 0.0000 0.0000 34496.1860 -148907.5593 301.2638 -183403.7453 -148811.7401 300.0311 -65.1928 -35.0327 557861.1554 -0.0341 0.0408 PRESSURE: 4952600 -259.91 94.3799 98.2129 94.3805 -209.967 74.6886 98.2138 74.688 -52.4066 GPRESSURE: 4952600 -263.956 101.288 140.626 114.782 -138.722 92.9452 61.1293 84.946 -26.0085 PRESSAVG: 4952600 -55.9135 -67.5094 39.971 -67.5093 16.4491 21.224 39.9711 21.2241 24.4764 GPRESSAVG: 4952600 -55.037 -67.6133 39.9677 -66.5962 15.3937 22.4474 40.1028 18.2911 24.7313 TIMING: 4952600 CPU: 14868, 0.00304144/step Wall: 14868, 0.00304144/step, 0.0400457 hours remaining, 209.597656 MB of memory in use. ENERGY: 4952600 744.1129 2111.3114 1946.0607 119.5258 -205931.0190 17499.4418 0.0000 0.0000 34546.6220 -148963.9444 301.7042 -183510.5664 -148863.5265 300.2636 -174.0946 -142.8954 558411.2924 -4.9960 -4.9706 PRESSURE: 4952800 -183.644 -109.726 -94.29 -109.726 -2.35551 46.8798 -94.2902 46.8805 -18.2039 GPRESSURE: 4952800 -145.9 -69.0785 -235.936 -91.2858 63.7955 82.5532 -78.8541 -37.1286 -35.8694 PRESSAVG: 4952800 -26.594 -28.7019 2.66635 -28.7019 16.7643 46.6358 2.66632 46.6358 57.4896 GPRESSAVG: 4952800 -26.8707 -27.2605 1.94836 -29.9158 18.2264 47.5936 4.61981 46.4718 55.0397 TIMING: 4952800 CPU: 14868.6, 0.00304112/step Wall: 14868.6, 0.00304112/step, 0.0398725 hours remaining, 209.898438 MB of memory in use. ENERGY: 4952800 696.4676 2085.1900 1944.8274 114.2341 -206045.6294 17700.0302 0.0000 0.0000 34570.5770 -148934.3031 301.9134 -183504.8802 -148833.5989 300.0346 -68.0676 -39.3247 559136.6206 15.8867 15.4652 PRESSURE: 4953000 37.3428 -123.184 28.4647 -123.184 -275.436 57.9334 28.4642 57.9336 -201.394 GPRESSURE: 4953000 26.0678 -108.739 66.277 -119.099 -220.62 -1.27267 68.5987 -4.74439 -156.845 PRESSAVG: 4953000 46.3307 -91.1462 10.8868 -91.1462 -31.0909 -10.6718 10.8867 -10.6718 -19.7823 GPRESSAVG: 4953000 47.2931 -91.411 9.45246 -90.526 -32.861 -10.9657 8.60556 -10.0561 -18.9996 TIMING: 4953000 CPU: 14869.2, 0.00301712/step Wall: 14869.2, 0.00301712/step, 0.0393901 hours remaining, 209.898438 MB of memory in use. ENERGY: 4953000 733.2077 2072.1863 1918.7042 126.5095 -205593.1427 17380.1743 0.0000 0.0000 34453.0605 -148909.3001 300.8871 -183362.3606 -148807.5188 300.1162 -146.4960 -117.1325 557456.2015 -1.5142 -1.5225 PRESSURE: 4953200 -42.3654 -11.6238 39.089 -11.6229 -190.719 -29.9194 39.0902 -29.9198 113.733 GPRESSURE: 4953200 -47.5917 7.21893 -0.914503 89.3339 -139.863 12.2299 81.1824 21.9289 161.859 PRESSAVG: 4953200 10.2876 -15.2951 33.7924 -15.2952 -32.8303 7.61004 33.7924 7.61003 27.802 GPRESSAVG: 4953200 8.85329 -13.7766 34.5494 -15.5608 -31.8155 7.89985 34.0094 8.12574 28.283 TIMING: 4953200 CPU: 14869.8, 0.00295812/step Wall: 14869.8, 0.00295812/step, 0.0384556 hours remaining, 209.898438 MB of memory in use. ENERGY: 4953200 715.7117 2090.8850 1902.6402 126.0494 -205785.3690 17632.3696 0.0000 0.0000 34312.1333 -149005.5798 299.6564 -183317.7131 -148910.2321 299.9398 -39.7838 -8.5319 560612.1563 1.7531 1.7736 PRESSURE: 4953400 -56.1537 -80.35 106.314 -80.3501 -209.747 144.597 106.313 144.596 3.60298 GPRESSURE: 4953400 5.68736 -134.726 201.763 -110.046 -233.691 117.886 39.7054 194.477 59.9885 PRESSAVG: 4953400 -42.7655 -19.6967 10.467 -19.6968 -12.9958 -19.7121 10.4671 -19.7121 -16.8489 GPRESSAVG: 4953400 -42.1951 -22.6618 11.8784 -18.5623 -14.0072 -18.91 10.1241 -20.2762 -16.2727 TIMING: 4953400 CPU: 14870.4, 0.00297167/step Wall: 14870.4, 0.00297167/step, 0.0384666 hours remaining, 209.898438 MB of memory in use. ENERGY: 4953400 733.5234 2077.7072 1928.4780 102.6226 -205759.6789 17614.2667 0.0000 0.0000 34163.1912 -149139.8898 298.3556 -183303.0810 -149042.4990 299.5344 -87.4326 -56.0051 558746.5219 -24.2034 -24.1583 PRESSURE: 4953600 82.9326 137.466 21.776 137.467 -326.541 -57.4389 21.7761 -57.4388 -93.1324 GPRESSURE: 4953600 63.5139 143.997 44.6907 164.134 -315.666 -93.8262 -5.43147 4.18564 3.48222 PRESSAVG: 4953600 13.9522 -3.91741 50.8889 -3.91746 -71.2558 -18.6746 50.889 -18.6747 71.4363 GPRESSAVG: 4953600 12.5167 -2.87713 49.347 -4.43328 -70.3753 -21.0037 52.0528 -17.9663 71.9189 TIMING: 4953600 CPU: 14871, 0.00298214/step Wall: 14871, 0.00298214/step, 0.0384365 hours remaining, 209.898438 MB of memory in use. ENERGY: 4953600 773.8355 2090.9080 1939.3287 106.8938 -206605.9767 17951.4605 0.0000 0.0000 34425.9771 -149317.5731 300.6506 -183743.5502 -149221.8114 298.9913 -112.2468 -82.8900 558548.9450 4.7109 4.6868 PRESSURE: 4953800 -60.7029 102.79 82.8431 102.79 -132.154 128.677 82.8418 128.679 -164.289 GPRESSURE: 4953800 -96.4814 50.6808 88.672 99.459 -83.4252 197.1 -3.27516 134.408 -76.241 PRESSAVG: 4953800 48.317 36.9028 61.118 36.9029 -68.0675 54.5341 61.1179 54.534 -7.07168 GPRESSAVG: 4953800 47.6142 36.0349 60.7562 38.0554 -67.5884 56.2547 61.7589 53.4102 -7.15598 TIMING: 4953800 CPU: 14871.6, 0.00297936/step Wall: 14871.6, 0.00297936/step, 0.0382352 hours remaining, 209.898438 MB of memory in use. ENERGY: 4953800 722.7264 2043.8446 1903.1384 107.3243 -206178.8178 17727.1289 0.0000 0.0000 34092.1727 -149582.4826 297.7354 -183674.6553 -149480.0724 298.9310 -119.0487 -85.3825 558887.0350 -8.9407 -9.0434 PRESSURE: 4954000 12.3721 -112.258 -169.694 -112.258 -47.0383 -144.316 -169.694 -144.316 182.403 GPRESSURE: 4954000 51.832 -191.791 -117.743 -150.637 -40.44 -219.223 -234.415 -90.926 237.436 PRESSAVG: 4954000 -4.80817 -15.9448 -45.2187 -15.9447 -16.8761 -1.65453 -45.2186 -1.65455 31.5345 GPRESSAVG: 4954000 -4.60525 -15.3447 -44.4094 -17.3827 -17.6429 -3.55772 -46.2206 -1.75265 31.8642 TIMING: 4954000 CPU: 14872.2, 0.00297393/step Wall: 14872.2, 0.00297393/step, 0.0380002 hours remaining, 209.898438 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: 4954000 698.8969 2048.1609 1930.8014 119.2295 -206380.9874 17828.6393 0.0000 0.0000 34177.0624 -149578.1969 298.4768 -183755.2593 -149477.6905 298.5817 49.2456 82.9426 558386.5259 3.2834 3.2053 PRESSURE: 4954200 155.253 -67.0061 -26.1156 -67.0058 255.347 17.1906 -26.1154 17.191 -114.638 GPRESSURE: 4954200 185.501 -116.811 10.2356 -64.7562 290.448 -13.0959 -57.5295 11.9818 -79.888 PRESSAVG: 4954200 25.5774 -64.8314 -50.9665 -64.8315 -9.59302 -22.1515 -50.9664 -22.1516 -9.82906 GPRESSAVG: 4954200 26.1093 -62.8218 -49.6291 -66.5643 -8.56292 -20.4095 -51.1857 -21.9497 -11.7446 TIMING: 4954200 CPU: 14872.8, 0.00296161/step Wall: 14872.8, 0.00296161/step, 0.0376782 hours remaining, 209.898438 MB of memory in use. ENERGY: 4954200 716.4989 2071.7115 1923.4742 104.5806 -206538.9155 18055.5022 0.0000 0.0000 34170.2044 -149496.9436 298.4169 -183667.1480 -149402.8977 298.1546 98.6541 132.0206 557368.1460 2.0518 1.9339 PRESSURE: 4954400 -431.425 -63.9363 48.3354 -63.9355 -212.379 -74.5634 48.3363 -74.5637 -135.005 GPRESSURE: 4954400 -401.84 -53.7445 77.6222 -20.3011 -136.416 -79.0985 6.53046 -62.06 -149.628 PRESSAVG: 4954400 1.04667 33.2174 0.582033 33.2174 -5.90964 -16.6075 0.582077 -16.6076 -10.3696 GPRESSAVG: 4954400 0.5109 31.3606 0.192231 36.0639 -6.44644 -17.5662 -0.530498 -17.1689 -9.78882 TIMING: 4954400 CPU: 14873.4, 0.00298595/step Wall: 14873.4, 0.00298595/step, 0.0378221 hours remaining, 209.898438 MB of memory in use. ENERGY: 4954400 732.7880 2060.4548 1932.4447 109.6630 -206245.2642 17689.2264 0.0000 0.0000 34417.6835 -149303.0038 300.5782 -183720.6873 -149209.4151 299.0814 -259.6028 -229.2946 559820.3334 -5.0775 -5.2415 PRESSURE: 4954600 -155.707 77.606 -84.9589 77.6065 -199.595 382.678 -84.958 382.678 -344.095 GPRESSURE: 4954600 -132.088 18.8594 -47.786 136.148 -197.587 438.998 -105.753 484.341 -294.515 PRESSAVG: 4954600 -1.843 -7.80313 32.1133 -7.80318 1.53299 45.7461 32.1133 45.746 -23.7776 GPRESSAVG: 4954600 -2.67703 -7.26841 31.7226 -8.49676 1.77934 45.186 31.8179 48.271 -23.5658 TIMING: 4954600 CPU: 14874, 0.00304284/step Wall: 14874, 0.00304284/step, 0.0383736 hours remaining, 209.898438 MB of memory in use. ENERGY: 4954600 725.1100 2177.3097 1954.8755 114.8848 -206089.2122 17557.4939 0.0000 0.0000 33866.4116 -149693.1266 295.7638 -183559.5382 -149595.3444 298.5837 -233.1323 -208.0634 558324.2032 -8.0292 -8.1545 PRESSURE: 4954800 166.807 52.392 117.427 52.3926 68.2252 77.3279 117.428 77.3304 -126.167 GPRESSURE: 4954800 145.292 -38.8827 50.5264 149.32 128.981 28.3005 105.607 140.522 -69.4502 PRESSAVG: 4954800 33.4818 59.8727 20.7857 59.8728 39.09 42.8651 20.7858 42.865 -46.1068 GPRESSAVG: 4954800 33.7825 58.715 18.009 58.3757 39.1035 45.2259 22.2473 41.0311 -46.2987 TIMING: 4954800 CPU: 14874.6, 0.00303305/step Wall: 14874.6, 0.00303305/step, 0.0380816 hours remaining, 209.898438 MB of memory in use. ENERGY: 4954800 741.7503 2082.1330 1948.9232 116.5704 -206897.6688 18146.3873 0.0000 0.0000 34220.1323 -149641.7723 298.8529 -183861.9046 -149546.7690 297.5062 36.2883 68.2741 557709.5701 8.8217 8.8624 PRESSURE: 4955000 79.6151 -92.9589 -221.741 -92.9587 227.852 -57.687 -221.742 -57.6849 -312.025 GPRESSURE: 4955000 101.616 -80.5776 -182.984 -123.108 258.539 -24.4037 -256.358 -22.3221 -265.136 PRESSAVG: 4955000 1.50563 -0.526234 -36.6576 -0.526247 87.0496 57.9802 -36.6577 57.9801 -63.0746 GPRESSAVG: 4955000 1.43045 -1.35725 -34.3401 0.527837 87.0049 56.0785 -37.4019 59.2058 -62.4503 TIMING: 4955000 CPU: 14875.2, 0.00305715/step Wall: 14875.2, 0.00305715/step, 0.0382144 hours remaining, 209.898438 MB of memory in use. ENERGY: 4955000 741.4384 2075.3838 1949.7060 120.6937 -206334.1234 17907.4530 0.0000 0.0000 34177.2883 -149362.1602 298.4788 -183539.4486 -149272.0813 298.9423 -1.5193 31.6731 557781.0706 8.4935 8.6617 PRESSURE: 4955200 142.628 -22.4411 -77.3456 -22.4402 247.232 -199.722 -77.3456 -199.722 -25.0704 GPRESSURE: 4955200 160.486 -71.3246 -116.593 27.0769 234.298 -136.111 -114.136 -116.483 57.4748 PRESSAVG: 4955200 29.2538 -11.6793 -35.1559 -11.6793 -50.4122 -50.3864 -35.1559 -50.3864 23.0981 GPRESSAVG: 4955200 30.6391 -10.205 -35.6112 -12.8534 -51.869 -50.77 -34.7543 -50.5612 22.9855 TIMING: 4955200 CPU: 14875.8, 0.00302369/step Wall: 14875.8, 0.00302369/step, 0.0376281 hours remaining, 209.898438 MB of memory in use. ENERGY: 4955200 741.8154 2053.9567 1924.9204 119.3203 -206450.9307 17998.0064 0.0000 0.0000 34176.3571 -149436.5545 298.4706 -183612.9116 -149337.7645 298.7265 121.5968 150.7529 556216.0131 0.6466 0.5852 PRESSURE: 4955400 -236.041 -56.7861 83.562 -56.7843 -196.197 -63.5625 83.5627 -63.5634 -222.924 GPRESSURE: 4955400 -149.116 -71.1815 37.5432 -91.595 -139.613 -95.2705 83.1831 -24.1645 -255.47 PRESSAVG: 4955400 46.4493 37.7061 -31.0309 37.706 -1.56106 -23.1393 -31.0309 -23.1393 -37.6257 GPRESSAVG: 4955400 44.9355 36.4387 -31.5758 39.2461 -0.681475 -23.2245 -32.9382 -23.298 -37.2162 TIMING: 4955400 CPU: 14876.4, 0.00298919/step Wall: 14876.4, 0.00298919/step, 0.0370328 hours remaining, 209.898438 MB of memory in use. ENERGY: 4955400 790.8656 2030.4044 1961.7129 107.2809 -206089.0829 17639.1573 0.0000 0.0000 34032.5445 -149527.1174 297.2147 -183559.6619 -149435.8423 298.5265 -218.3873 -181.3995 558164.9558 2.4208 2.3459 PRESSURE: 4955600 84.1931 -110.251 121.755 -110.25 -24.1754 -164.307 121.756 -164.307 221.922 GPRESSURE: 4955600 55.0612 -82.1363 76.478 -97.2541 12.4163 -244.913 132.248 -127.917 314.758 PRESSAVG: 4955600 74.6446 -45.9401 42.8004 -45.9402 -95.2148 -32.7078 42.8004 -32.7077 22.3712 GPRESSAVG: 4955600 75.4871 -45.4229 44.1595 -44.835 -95.8004 -33.5137 44.4536 -31.9904 22.5156 TIMING: 4955600 CPU: 14877, 0.00298845/step Wall: 14877, 0.00298845/step, 0.0368575 hours remaining, 209.898438 MB of memory in use. ENERGY: 4955600 743.8342 2090.4893 1954.0401 115.6176 -206511.4571 17926.1613 0.0000 0.0000 34235.7681 -149445.5463 298.9895 -183681.3144 -149352.5507 298.6902 93.9800 127.4117 556856.3150 0.6003 0.7341 PRESSURE: 4955800 -28.9819 -105.559 -81.5537 -105.557 -327.304 17.4262 -81.5534 17.4251 89.6728 GPRESSURE: 4955800 -5.37086 -34.3724 -51.6309 -171.318 -303.442 14.6345 -73.203 -12.5723 132.904 PRESSAVG: 4955800 22.3339 -39.5254 16.6086 -39.5254 -75.0313 10.5587 16.6086 10.5587 57.2667 GPRESSAVG: 4955800 22.6774 -39.586 16.6391 -40.0708 -74.6195 12.4985 16.2786 8.52504 56.4952 TIMING: 4955800 CPU: 14877.6, 0.00297421/step Wall: 14877.6, 0.00297421/step, 0.0365167 hours remaining, 209.898438 MB of memory in use. ENERGY: 4955800 719.1905 2079.9876 1961.9610 114.8532 -206228.6778 17873.8434 0.0000 0.0000 33993.9484 -149484.8938 296.8776 -183478.8421 -149385.8204 298.4599 -88.8709 -58.6362 559899.5210 1.5231 1.5177 PRESSURE: 4956000 -4.97975 -125.292 42.459 -125.293 -60.8646 214.319 42.4582 214.317 -76.9834 GPRESSURE: 4956000 -65.8161 -53.4615 -27.5016 -96.8005 25.2926 158.463 16.8719 193.182 -12.2528 PRESSAVG: 4956000 84.6253 -9.7085 -47.001 -9.70849 -57.9123 -11.7956 -47.001 -11.7954 -4.16445 GPRESSAVG: 4956000 84.5891 -9.11832 -48.3161 -11.58 -57.857 -12.2799 -48.1976 -12.0323 -3.96574 TIMING: 4956000 CPU: 14878.2, 0.00303596/step Wall: 14878.2, 0.00303596/step, 0.0371062 hours remaining, 209.898438 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: 4956000 725.4036 2135.2783 1938.2692 112.0053 -205851.7575 17567.9498 0.0000 0.0000 34061.3325 -149311.5188 297.4661 -183372.8513 -149210.8142 298.2754 -47.6092 -17.5921 557450.3994 7.5162 7.5888 PRESSURE: 4956200 64.0844 21.9229 121.708 21.9237 30.7884 4.27348 121.709 4.27345 -110.855 GPRESSURE: 4956200 145.158 55.9017 201.618 27.3383 29.6543 -19.1205 96.8355 137.65 -101.831 PRESSAVG: 4956200 -44.5774 11.9133 25.1199 11.9133 -0.0838462 52.8185 25.1197 52.8185 8.48179 GPRESSAVG: 4956200 -45.0373 10.6416 25.1704 12.2254 0.843309 52.9409 26.6187 54.3344 7.99595 TIMING: 4956200 CPU: 14878.8, 0.00303503/step Wall: 14878.8, 0.00303503/step, 0.0369263 hours remaining, 209.898438 MB of memory in use. ENERGY: 4956200 759.0686 2075.7410 1938.0202 106.4218 -205993.4654 17764.5620 0.0000 0.0000 34346.1341 -149003.5177 299.9533 -183349.6518 -148899.9118 299.2365 -5.3273 24.3272 557030.5866 -12.0598 -12.0660 LDB: ============= START OF LOAD BALANCING ============== 14882.3 LDB: ============== END OF LOAD BALANCING =============== 14882.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14882.3 LDB: ============= START OF LOAD BALANCING ============== 14882.6 LDB: Largest compute 4796 load 0.029241 is 24.7% of average load 0.118243 LDB: Average compute 0.001736 is 1.5% of average load 0.118243 LDB: TIME 14882.6 LOAD: AVG 0.118243 MAX 0.214657 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.496 MB LDB: TIME 14882.6 LOAD: AVG 0.118243 MAX 0.214657 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.496 MB LDB: TIME 14882.6 LOAD: AVG 0.118243 MAX 0.214657 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.496 MB LDB: ============== END OF LOAD BALANCING =============== 14882.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14882.6 PRESSURE: 4956400 -236.046 -3.99591 6.77253 -3.99536 388.881 -62.9484 6.77363 -62.9487 -122.767 GPRESSURE: 4956400 -156.69 -40.445 43.2976 153.995 465.416 -92.9358 -16.6283 9.81379 -186.945 PRESSAVG: 4956400 -26.9701 20.574 37.8049 20.5741 -29.184 -4.01831 37.805 -4.01828 68.565 GPRESSAVG: 4956400 -25.5654 19.197 39.643 20.518 -31.2114 -4.65356 38.0735 -4.20272 68.7643 TIMING: 4956400 CPU: 14879.4, 0.00307899/step Wall: 14879.4, 0.00307899/step, 0.03729 hours remaining, 208.722656 MB of memory in use. ENERGY: 4956400 732.4357 2087.6294 1957.8438 118.9435 -206365.8662 17927.9855 0.0000 0.0000 34325.6545 -149215.3738 299.7745 -183541.0283 -149114.9507 299.8297 10.0226 40.5936 556215.1044 4.1370 3.9958 PRESSURE: 4956600 32.1933 -61.241 26.4855 -61.241 -305.033 163.73 26.4859 163.73 -45.1551 GPRESSURE: 4956600 58.1704 -113.721 103.763 36.7706 -266.658 136.28 -43.4936 163.237 -19.052 PRESSAVG: 4956600 -55.7488 -38.7124 26.9436 -38.7123 -18.8591 -53.4761 26.9436 -53.4761 63.9982 GPRESSAVG: 4956600 -56.0082 -38.8786 24.8107 -37.4365 -18.7361 -52.5555 25.9211 -52.9808 64.1418 TIMING: 4956600 CPU: 14880, 0.00295841/step Wall: 14880, 0.00295841/step, 0.0356653 hours remaining, 208.925781 MB of memory in use. ENERGY: 4956600 763.1763 2093.3425 1977.3075 99.1903 -205924.7137 17663.6028 0.0000 0.0000 34268.0975 -149059.9968 299.2718 -183328.0943 -148964.4559 299.5757 -105.9982 -75.8464 557846.3286 -3.5366 -3.5342 PRESSURE: 4956800 82.6774 4.1479 -261.123 4.14763 74.4823 -35.5608 -261.124 -35.5605 133.661 GPRESSURE: 4956800 94.9793 -39.2235 -236.613 -53.4438 145.469 -6.88354 -291.569 -125.823 144.291 PRESSAVG: 4956800 -62.8868 -34.1263 10.8631 -34.1263 -2.25175 60.0306 10.8631 60.0305 79.1312 GPRESSAVG: 4956800 -63.6509 -33.5731 11.4661 -33.7348 -1.89125 58.6961 12.4041 59.0109 79.9667 TIMING: 4956800 CPU: 14880.6, 0.00296241/step Wall: 14880.6, 0.00296241/step, 0.0355489 hours remaining, 208.925781 MB of memory in use. ENERGY: 4956800 706.4435 2119.3006 1916.4048 111.2857 -206247.2237 17954.9294 0.0000 0.0000 34422.0109 -149016.8489 300.6160 -183438.8597 -148906.9577 300.3749 96.9403 128.2466 557746.2722 4.6642 4.8082 PRESSURE: 4957000 -396.01 -154.409 127.965 -154.41 -107.963 -142.684 127.965 -142.685 -215.621 GPRESSURE: 4957000 -336.378 -97.7704 -16.2898 -61.3866 -78.0506 -121.619 140.925 -66.8617 -197.253 PRESSAVG: 4957000 -15.7973 -8.09295 -24.0067 -8.093 26.303 1.61889 -24.0067 1.61898 16.034 GPRESSAVG: 4957000 -15.221 -6.22695 -22.6318 -9.47685 27.4837 4.28481 -25.2459 2.12868 14.8912 TIMING: 4957000 CPU: 14881.2, 0.00300109/step Wall: 14881.2, 0.00300109/step, 0.0358464 hours remaining, 208.925781 MB of memory in use. ENERGY: 4957000 770.2814 2085.1150 1967.4872 107.7288 -205825.3890 17592.6421 0.0000 0.0000 34220.0899 -149082.0445 298.8526 -183302.1345 -148986.7356 299.9072 -239.8647 -203.8939 558970.5712 8.8465 9.0513 PRESSURE: 4957200 -38.1885 51.6291 53.6641 51.629 -105.567 -23.4196 53.6634 -23.4201 -204.627 GPRESSURE: 4957200 -39.6341 71.3209 67.2306 -17.6943 -77.7888 4.79836 19.5716 -33.9218 -130.348 PRESSAVG: 4957200 7.35977 17.4062 28.3724 17.4061 7.64548 58.396 28.3723 58.396 -39.4114 GPRESSAVG: 4957200 6.97957 16.388 28.1677 18.3767 8.22859 56.6252 28.8837 58.9008 -39.3195 TIMING: 4957200 CPU: 14881.8, 0.00300097/step Wall: 14881.8, 0.00300097/step, 0.0356782 hours remaining, 208.925781 MB of memory in use. ENERGY: 4957200 732.3007 2065.8886 1962.8730 110.3619 -206235.3593 17722.7210 0.0000 0.0000 34364.1223 -149277.0917 300.1104 -183641.2140 -149178.1004 299.6566 -116.1274 -82.5901 556907.1200 -8.1354 -8.0371 PRESSURE: 4957400 99.3785 143.446 81.855 143.446 30.0401 -70.0559 81.8552 -70.0546 -144.418 GPRESSURE: 4957400 163.465 113.709 -1.60322 161.866 34.1037 -59.7855 62.1674 -46.3548 -117.626 PRESSAVG: 4957400 6.95378 -27.2067 11.43 -27.2068 -3.12086 -1.72914 11.43 -1.72921 -11.6048 GPRESSAVG: 4957400 7.02037 -26.868 10.1386 -27.0941 -2.96455 -0.616066 9.62801 -1.52475 -12.3239 TIMING: 4957400 CPU: 14882.4, 0.00299559/step Wall: 14882.4, 0.00299559/step, 0.0354479 hours remaining, 208.925781 MB of memory in use. ENERGY: 4957400 728.5641 2049.6493 1946.6558 105.2799 -206263.7675 17805.5398 0.0000 0.0000 34277.3355 -149350.7431 299.3525 -183628.0786 -149257.8830 299.6514 -4.9998 26.6477 557222.8925 -2.5906 -2.7560 PRESSURE: 4957600 262.583 0.336071 -32.0311 0.336899 -100.905 -95.7672 -32.0298 -95.7676 12.8996 GPRESSURE: 4957600 279.78 145.92 -88.1122 -137.3 -45.6195 -152.138 30.6132 -48.8549 49.3216 PRESSAVG: 4957600 -26.8573 6.99116 55.5933 6.99116 -13.1445 -19.6491 55.5933 -19.6493 20.4111 GPRESSAVG: 4957600 -28.099 6.90091 54.93 6.70168 -13.2535 -18.5869 58.3371 -20.8206 21.3308 TIMING: 4957600 CPU: 14883, 0.00302143/step Wall: 14883, 0.00302143/step, 0.0355857 hours remaining, 208.925781 MB of memory in use. ENERGY: 4957600 736.2462 2127.7448 1947.7538 105.5529 -206459.0025 17885.7242 0.0000 0.0000 34331.1743 -149324.8062 299.8227 -183655.9805 -149225.7554 299.5070 58.1928 94.4939 555820.9005 -6.5303 -6.6739 PRESSURE: 4957800 -82.8102 23.2994 -111.814 23.2993 127.015 259.821 -111.815 259.821 -33.214 GPRESSURE: 4957800 -35.4994 71.4763 -104.738 76.6725 105.39 231.347 -115.86 224.729 47.7761 PRESSAVG: 4957800 43.8025 -22.9291 -55.689 -22.929 -34.9098 4.4576 -55.689 4.45763 43.4673 GPRESSAVG: 4957800 44.7086 -23.232 -55.5649 -23.1443 -34.7831 3.20264 -57.0751 4.69678 43.4984 TIMING: 4957800 CPU: 14883.6, 0.00302902/step Wall: 14883.6, 0.00302902/step, 0.0355069 hours remaining, 208.925781 MB of memory in use. ENERGY: 4957800 714.7098 2145.2775 1934.9429 106.2643 -205994.4673 17668.7696 0.0000 0.0000 34195.6605 -149228.8426 298.6392 -183424.5032 -149133.1613 299.4698 3.6637 39.2222 555422.3835 17.4533 17.8080 PRESSURE: 4958000 15.7906 129.291 -42.1159 129.292 -210.976 148.346 -42.1165 148.345 -37.751 GPRESSURE: 4958000 20.8643 171.953 -68.8328 71.1833 -153.76 217.435 -79.8948 87.8013 -5.38154 PRESSAVG: 4958000 -23.8384 23.437 39.9701 23.437 -23.5776 -31.8406 39.9701 -31.8404 49.3281 GPRESSAVG: 4958000 -23.3434 24.0744 41.4894 22.9661 -23.6895 -31.3914 40.5892 -32.505 48.9785 TIMING: 4958000 CPU: 14884.2, 0.00306292/step Wall: 14884.2, 0.00306292/step, 0.035734 hours remaining, 208.925781 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: 4958000 726.1826 2083.3724 1948.1776 113.9824 -205958.0634 17726.8791 0.0000 0.0000 34112.3123 -149247.1571 297.9113 -183359.4694 -149161.6091 299.3764 -77.6455 -46.0923 557787.3579 0.6374 0.6486 PRESSURE: 4958200 -237.8 144.736 37.1924 144.736 -361.589 -10.2034 37.1919 -10.2037 -116.797 GPRESSURE: 4958200 -164.99 172.692 7.22865 35.5509 -388.53 -25.5311 141.924 -13.9822 -75.1897 PRESSAVG: 4958200 -11.3242 3.92061 -6.69088 3.92058 33.0572 3.20187 -6.69071 3.2019 17.0514 GPRESSAVG: 4958200 -11.7343 5.41767 -7.73441 4.8825 32.7676 4.06141 -5.65613 3.6622 16.941 TIMING: 4958200 CPU: 14884.8, 0.00301799/step Wall: 14884.8, 0.00301799/step, 0.0350422 hours remaining, 208.925781 MB of memory in use. ENERGY: 4958200 796.3280 2067.3887 1931.3386 114.7677 -206143.9902 17563.9070 0.0000 0.0000 34304.4723 -149365.7879 299.5895 -183670.2601 -149269.1377 299.1904 -238.7288 -209.5700 557631.9404 12.9282 12.6581 PRESSURE: 4958400 61.5264 -0.0360254 -73.9976 -0.0363833 160.466 207.047 -73.9978 207.045 247.805 GPRESSURE: 4958400 112.888 61.9629 -78.3311 -109.864 212.32 201.08 -43.3606 217.43 236.33 PRESSAVG: 4958400 -16.5796 -21.0912 -7.24458 -21.0912 40.5171 36.1928 -7.24453 36.1927 -17.1132 GPRESSAVG: 4958400 -16.7648 -23.1537 -4.96199 -22.1992 41.3465 35.0133 -10.6285 34.6659 -17.8309 TIMING: 4958400 CPU: 14885.4, 0.00300897/step Wall: 14885.4, 0.00300897/step, 0.0347703 hours remaining, 208.925781 MB of memory in use. ENERGY: 4958400 700.1868 2042.8445 1946.6413 103.3634 -205932.2182 17824.5027 0.0000 0.0000 34086.0359 -149228.6435 297.6818 -183314.6795 -149127.7451 298.9785 156.5992 187.1792 557400.6510 2.2748 2.2503 PRESSURE: 4958600 -307.734 -53.4665 -85.0318 -53.4663 58.3795 -120.74 -85.0304 -120.741 128.5 GPRESSURE: 4958600 -257.844 -65.9477 -131.267 -18.5558 66.3779 -137.849 -72.2965 -103.996 180.495 PRESSAVG: 4958600 -67.6369 35.5953 19.961 35.5954 -17.8028 -36.6067 19.961 -36.6067 112.37 GPRESSAVG: 4958600 -67.1779 33.8915 17.7496 36.6955 -17.7293 -34.7559 20.338 -35.4302 112.331 TIMING: 4958600 CPU: 14886, 0.00300255/step Wall: 14886, 0.00300255/step, 0.0345293 hours remaining, 208.925781 MB of memory in use. ENERGY: 4958600 740.9317 2023.2640 1964.6999 109.0406 -205843.2247 17581.1928 0.0000 0.0000 34094.7001 -149329.3957 297.7575 -183424.0958 -149231.5629 299.1351 -40.2849 -3.6568 557218.8941 8.9769 9.1413 PRESSURE: 4958800 -328.61 -144.577 -58.701 -144.576 151.777 21.1953 -58.7021 21.1961 -118.475 GPRESSURE: 4958800 -259.231 -197.284 107.363 -134.475 150.764 -33.542 -161.68 56.4418 -79.3428 PRESSAVG: 4958800 -18.1223 -55.9882 -21.8203 -55.9883 43.8557 -24.1808 -21.8203 -24.1808 31.2725 GPRESSAVG: 4958800 -17.9251 -53.6269 -22.9152 -57.7944 43.2451 -26.184 -20.1537 -24.1495 31.6544 TIMING: 4958800 CPU: 14886.6, 0.00302318/step Wall: 14886.6, 0.00302318/step, 0.0345986 hours remaining, 208.925781 MB of memory in use. ENERGY: 4958800 747.3041 2079.5371 1945.7410 100.6794 -205779.5954 17597.0067 0.0000 0.0000 34187.9533 -149121.3738 298.5719 -183309.3271 -149019.6740 298.9401 -98.4362 -62.6031 555305.5667 19.0020 18.9915 PRESSURE: 4959000 -7.76829 -83.3081 32.2444 -83.3069 139.476 24.2509 32.2448 24.2517 35.2464 GPRESSURE: 4959000 8.69844 -29.2955 4.68534 -102.379 141.521 -23.4059 34.6892 17.5931 124.147 PRESSAVG: 4959000 -51.222 -24.0423 -31.5977 -24.0422 31.7788 -37.1922 -31.5977 -37.1923 20.4458 GPRESSAVG: 4959000 -50.4542 -24.8748 -30.0916 -23.3513 30.2057 -35.5061 -32.3412 -37.6775 21.3189 TIMING: 4959000 CPU: 14887.2, 0.00305426/step Wall: 14887.2, 0.00305426/step, 0.0347847 hours remaining, 208.925781 MB of memory in use. ENERGY: 4959000 752.7481 2137.2088 1933.8481 106.4690 -206111.9794 17773.4522 0.0000 0.0000 34157.7922 -149250.4610 298.3085 -183408.2532 -149154.2385 299.6572 55.6515 91.4555 554658.8172 0.3342 0.3568 PRESSURE: 4959200 64.2393 -156.642 -86.999 -156.643 -211.958 99.5833 -86.9974 99.5816 -173.498 GPRESSURE: 4959200 141.437 -99.2091 -40.133 -131.264 -160.07 14.2971 -80.6283 92.6466 -204.813 PRESSAVG: 4959200 -8.6198 -22.5375 -15.4543 -22.5376 21.7621 -27.3456 -15.4543 -27.3455 12.6251 GPRESSAVG: 4959200 -9.03528 -21.4505 -14.9415 -22.5394 21.4296 -27.7745 -14.9222 -26.0392 12.7799 TIMING: 4959200 CPU: 14887.8, 0.00300051/step Wall: 14887.8, 0.00300051/step, 0.0340057 hours remaining, 208.925781 MB of memory in use. ENERGY: 4959200 765.7174 2083.5171 1933.0301 119.7634 -206506.1592 17808.9930 0.0000 0.0000 34434.4066 -149360.7316 300.7242 -183795.1382 -149266.6419 299.0185 -107.0725 -74.4817 555787.9282 8.5891 8.3914 PRESSURE: 4959400 -169.087 -54.9822 -13.8345 -54.9831 -162.233 15.3328 -13.8338 15.3327 162.585 GPRESSURE: 4959400 -125.654 -110.559 12.713 -40.8435 -199.675 55.4367 58.585 -21.568 246.967 PRESSAVG: 4959400 -41.739 -18.1482 -43.4238 -18.1483 -37.137 17.5744 -43.4238 17.5743 42.0946 GPRESSAVG: 4959400 -42.555 -18.8687 -45.3314 -17.3043 -35.2828 17.2229 -42.6414 17.6003 41.9685 TIMING: 4959400 CPU: 14888.4, 0.00298281/step Wall: 14888.4, 0.00298281/step, 0.0336394 hours remaining, 208.925781 MB of memory in use. ENERGY: 4959400 750.3520 2085.9920 1934.3794 107.3884 -206003.8003 17698.6035 0.0000 0.0000 34133.8876 -149293.1975 298.0997 -183427.0850 -149198.6581 299.1380 -56.2452 -26.1203 557106.0217 -12.2605 -11.9564 PRESSURE: 4959600 -203.246 44.9089 -197.485 44.9078 258.483 52.6536 -197.485 52.6537 422.877 GPRESSURE: 4959600 -164.313 -37.1079 -233.225 107.237 271.171 138.489 -102.981 -49.7163 475.582 PRESSAVG: 4959600 -47.605 -63.1537 -1.56148 -63.1538 -14.4715 -37.5663 -1.56159 -37.5661 62.6571 GPRESSAVG: 4959600 -47.8359 -64.7692 2.04072 -61.6906 -15.0992 -34.7785 -0.704965 -39.0643 63.2434 TIMING: 4959600 CPU: 14889, 0.00299268/step Wall: 14889, 0.00299268/step, 0.0335845 hours remaining, 208.996094 MB of memory in use. ENERGY: 4959600 718.0423 2078.9333 1914.4113 113.9169 -206540.9283 18027.1010 0.0000 0.0000 34260.0326 -149428.4907 299.2014 -183688.5233 -149329.9455 299.3336 159.3712 194.1468 557050.1377 0.1935 0.1027 PRESSURE: 4959800 -74.7161 -23.0476 148.23 -23.0477 -10.1478 -75.7479 148.231 -75.7481 160.662 GPRESSURE: 4959800 -27.4297 15.2827 179.168 15.0247 -9.88765 -69.5096 31.4742 -55.4397 210.923 PRESSAVG: 4959800 -14.2514 35.5833 -38.8947 35.5834 -23.9971 -92.6915 -38.8947 -92.6916 18.2324 GPRESSAVG: 4959800 -13.7261 37.9104 -41.2882 35.0221 -23.819 -94.7099 -40.6378 -92.9035 17.7443 TIMING: 4959800 CPU: 14889.6, 0.0030041/step Wall: 14889.6, 0.0030041/step, 0.0335458 hours remaining, 208.996094 MB of memory in use. ENERGY: 4959800 725.2231 2093.7377 1927.7599 104.7629 -206283.0795 17882.1792 0.0000 0.0000 34164.4420 -149384.9747 298.3666 -183549.4166 -149291.7052 298.6452 25.2660 57.8685 557868.2044 -6.6720 -6.6003 PRESSURE: 4960000 -14.9619 -141.166 -13.3334 -141.166 55.9394 1.79137 -13.3326 1.7909 -15.1487 GPRESSURE: 4960000 -14.504 -56.6988 -26.8199 -222.892 115.22 -55.0169 65.2923 -15.504 31.0056 PRESSAVG: 4960000 58.2232 -1.77854 4.94967 -1.77853 -1.53194 1.64745 4.94973 1.64756 -12.5803 GPRESSAVG: 4960000 57.4432 -2.20298 5.42192 -3.5142 -0.772889 0.590148 3.46608 2.06572 -12.7765 TIMING: 4960000 CPU: 14890.2, 0.00298884/step Wall: 14890.2, 0.00298885/step, 0.0332094 hours remaining, 208.996094 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: 4960000 736.8165 2034.4157 1952.5385 105.8650 -206261.3084 17865.1823 0.0000 0.0000 34306.7668 -149259.7236 299.6095 -183566.4905 -149159.8915 298.2412 8.6096 43.9071 557293.2460 14.7037 14.6313 PRESSURE: 4960200 20.6523 -3.93084 32.206 -3.93073 -55.0309 102.359 32.2054 102.358 -104.125 GPRESSURE: 4960200 55.4451 118.699 69.5968 -67.8059 -9.28818 123.949 -24.0497 130.032 -80.1937 PRESSAVG: 4960200 -26.6845 52.9175 26.8402 52.9173 20.371 7.61549 26.8401 7.61554 -2.13584 GPRESSAVG: 4960200 -26.9723 53.3569 28.7133 52.0842 19.8265 7.91272 26.5614 7.96831 -1.50363 TIMING: 4960200 CPU: 14890.8, 0.0030075/step Wall: 14890.8, 0.0030075/step, 0.0332496 hours remaining, 208.996094 MB of memory in use. ENERGY: 4960200 773.4375 2127.2694 1939.5348 105.3631 -206121.4027 17834.7901 0.0000 0.0000 34137.8211 -149203.1868 298.1341 -183341.0079 -149105.9450 299.0134 -46.1677 -11.3456 557324.9607 -2.8164 -2.8832 LDB: ============= START OF LOAD BALANCING ============== 14894.4 LDB: ============== END OF LOAD BALANCING =============== 14894.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14894.4 LDB: ============= START OF LOAD BALANCING ============== 14894.7 LDB: Largest compute 4796 load 0.029458 is 24.9% of average load 0.118260 LDB: Average compute 0.001731 is 1.5% of average load 0.118260 LDB: TIME 14894.7 LOAD: AVG 0.11826 MAX 0.214766 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.465 MB LDB: TIME 14894.7 LOAD: AVG 0.11826 MAX 0.214766 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.668 MB LDB: TIME 14894.7 LOAD: AVG 0.11826 MAX 0.214766 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.668 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14894.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14894.7 PRESSURE: 4960400 21.3912 128.804 -42.3611 128.804 230.57 -83.4515 -42.3607 -83.451 -112.716 GPRESSURE: 4960400 54.7629 118.245 -17.6807 201.542 237.95 -6.64558 -120.398 -65.8596 -57.2688 PRESSAVG: 4960400 -14.4809 21.7849 -64.8093 21.7848 43.8481 -25.044 -64.8093 -25.044 -53.5725 GPRESSAVG: 4960400 -14.0623 20.4311 -66.2717 23.7007 44.7622 -23.3551 -64.3916 -25.5897 -54.7142 TIMING: 4960400 CPU: 14891.5, 0.00305819/step Wall: 14891.5, 0.00305819/step, 0.0336401 hours remaining, 209.750000 MB of memory in use. ENERGY: 4960400 719.4288 2070.2935 1945.3433 112.4497 -206136.5396 17817.1445 0.0000 0.0000 34111.6706 -149360.2093 297.9057 -183471.8799 -149258.6435 299.0722 46.4154 78.4813 557540.6774 -8.0685 -8.0048 PRESSURE: 4960600 -141.802 -49.8006 131.536 -49.8004 -222.173 -42.2773 131.535 -42.2782 -43.2914 GPRESSURE: 4960600 -78.4272 -70.1546 41.7753 -77.5579 -174.754 -47.4875 71.8946 6.78365 -60.3788 PRESSAVG: 4960600 -3.21808 38.6289 5.96059 38.6289 9.26351 -17.2642 5.96055 -17.2642 11.7905 GPRESSAVG: 4960600 -3.26286 38.5402 4.395 36.2965 7.96807 -19.1639 7.13733 -15.7917 12.4259 TIMING: 4960600 CPU: 14892.1, 0.00298031/step Wall: 14892.1, 0.00298031/step, 0.0326179 hours remaining, 209.750000 MB of memory in use. ENERGY: 4960600 719.8221 2076.9135 1970.4093 104.9070 -206093.0148 17587.1472 0.0000 0.0000 34386.6224 -149247.1932 300.3069 -183633.8157 -149156.5738 299.9245 -135.7554 -104.5200 557881.5933 5.9453 5.7104 PRESSURE: 4960800 84.9966 12.6139 -55.5541 12.6139 -190.639 -48.6011 -55.5522 -48.5984 -206.85 GPRESSURE: 4960800 15.0865 8.2462 -5.5708 42.9254 -147.619 -37.8533 -150.47 -90.8278 -101.986 PRESSAVG: 4960800 6.45896 -11.5392 -7.17535 -11.5391 24.1277 -23.8533 -7.17537 -23.8532 -34.112 GPRESSAVG: 4960800 6.0982 -12.2746 -3.50976 -10.8151 23.53 -24.7607 -8.60267 -24.8657 -33.2368 TIMING: 4960800 CPU: 14892.7, 0.00299629/step Wall: 14892.7, 0.00299629/step, 0.0326263 hours remaining, 209.750000 MB of memory in use. ENERGY: 4960800 777.3439 2096.2102 1934.5530 109.4528 -206023.1012 17470.0291 0.0000 0.0000 34444.4227 -149191.0895 300.8117 -183635.5122 -149096.8167 299.2148 -104.1639 -78.1727 556539.9261 -1.1751 -1.2029 PRESSURE: 4961000 -36.8173 4.02935 -127.458 4.03049 -185.061 -82.4875 -127.459 -82.4887 14.2464 GPRESSURE: 4961000 -25.0598 38.3877 -169.184 -13.5302 -113.407 -64.9105 -109.446 -133.741 25.8157 PRESSAVG: 4961000 -39.1062 20.6146 34.2391 20.6147 7.08887 7.1336 34.2391 7.13358 5.27602 GPRESSAVG: 4961000 -38.851 20.8939 32.2807 21.8027 8.05802 6.35367 33.6279 8.02922 4.4924 TIMING: 4961000 CPU: 14893.2, 0.00296762/step Wall: 14893.2, 0.00296762/step, 0.0321493 hours remaining, 209.750000 MB of memory in use. ENERGY: 4961000 753.5258 2126.6666 1923.0527 123.5877 -205943.8077 17612.0447 0.0000 0.0000 34401.3663 -149003.5638 300.4357 -183404.9301 -148908.9508 299.9835 -69.2105 -37.5504 557835.6602 -8.9138 -8.7669 PRESSURE: 4961200 -268.29 97.5635 12.9003 97.5621 -217.245 -163.232 12.8997 -163.232 1.4818 GPRESSURE: 4961200 -242.167 120.681 22.3387 61.4466 -149.844 -123.565 1.59421 -80.4626 18.6208 PRESSAVG: 4961200 -28.9015 19.8688 60.9603 19.8686 -32.3779 13.3076 60.9604 13.3076 55.2694 GPRESSAVG: 4961200 -29.0077 20.6052 60.44 18.2631 -33.9476 15.6659 63.4788 11.2382 56.6133 TIMING: 4961200 CPU: 14893.8, 0.00296868/step Wall: 14893.8, 0.00296868/step, 0.0319958 hours remaining, 209.750000 MB of memory in use. ENERGY: 4961200 761.1112 2076.9344 1961.7960 99.8392 -205721.4439 17617.8638 0.0000 0.0000 34126.2272 -149077.6720 298.0328 -183203.8992 -148972.6074 299.8640 -161.3510 -124.4635 559112.4637 -2.0033 -2.1140 PRESSURE: 4961400 -74.317 -13.7524 -184.959 -13.7526 27.0624 52.0651 -184.96 52.0652 -187.22 GPRESSURE: 4961400 -17.8921 -49.4563 -96.3443 40.6749 23.2878 180.632 -238.253 79.8564 -160.023 PRESSAVG: 4961400 -20.2943 33.7589 38.5898 33.7589 6.04663 6.15272 38.5898 6.15284 -10.2192 GPRESSAVG: 4961400 -20.7541 34.4762 39.2748 34.9389 7.04474 6.86517 38.8822 8.51105 -10.9219 TIMING: 4961400 CPU: 14894.4, 0.00299912/step Wall: 14894.4, 0.00299912/step, 0.0321572 hours remaining, 209.750000 MB of memory in use. ENERGY: 4961400 728.3118 2071.1314 1891.4593 104.7208 -205715.3510 17541.5129 0.0000 0.0000 34349.9547 -149028.2602 299.9867 -183378.2148 -148929.3334 299.8745 -78.1581 -51.5424 558859.0664 -8.1556 -8.2104 PRESSURE: 4961600 -185.595 77.3302 29.5683 77.3298 103.868 114.941 29.5693 114.941 74.6925 GPRESSURE: 4961600 -108.472 31.5072 67.9664 46.628 52.4877 29.9696 23.9009 85.8836 147.053 PRESSAVG: 4961600 -37.9991 -48.7634 13.4498 -48.7634 35.3709 4.04339 13.4498 4.04348 19.3743 GPRESSAVG: 4961600 -37.4444 -48.6237 12.9073 -49.3113 35.6107 3.59412 12.5442 0.416463 18.5775 TIMING: 4961600 CPU: 14895, 0.00297872/step Wall: 14895, 0.00297872/step, 0.031773 hours remaining, 209.750000 MB of memory in use. ENERGY: 4961600 725.0005 2068.8767 1933.0862 108.6462 -205732.2137 17658.3564 0.0000 0.0000 34206.2209 -149032.0267 298.7314 -183238.2476 -148937.4452 300.3833 -2.3447 30.3563 557442.6421 5.5820 5.5812 PRESSURE: 4961800 -79.465 -130.722 109.019 -130.722 -62.6304 -26.1602 109.02 -26.1606 -236.687 GPRESSURE: 4961800 -92.181 -73.8238 42.1926 -194.249 27.015 -3.1137 165.639 -19.3063 -210.295 PRESSAVG: 4961800 -73.0936 -56.9993 17.4283 -56.9993 66.2471 19.5099 17.4283 19.5099 -13.2669 GPRESSAVG: 4961800 -72.387 -59.8129 15.2955 -55.7988 66.9979 18.4753 18.5369 23.0516 -14.089 TIMING: 4961800 CPU: 14895.6, 0.00295189/step Wall: 14895.6, 0.00295189/step, 0.0313228 hours remaining, 209.750000 MB of memory in use. ENERGY: 4961800 793.6600 2109.4831 1924.6893 113.0222 -206095.8346 17754.4894 0.0000 0.0000 34438.4392 -148962.0516 300.7595 -183400.4908 -148868.2209 299.8227 -126.2608 -91.8202 558397.4459 -6.7045 -6.4927 PRESSURE: 4962000 -20.0219 73.2141 142.113 73.2131 -342.851 105.316 142.114 105.316 16.4203 GPRESSURE: 4962000 -20.1133 95.3973 155.885 64.0055 -322.624 145.965 112.247 32.1449 100.868 PRESSAVG: 4962000 -23.1106 -53.5215 34.0895 -53.5215 22.3557 33.5491 34.0895 33.549 18.6422 GPRESSAVG: 4962000 -22.8332 -50.9304 35.8822 -54.4855 21.5804 33.9903 33.4559 31.5854 19.2817 TIMING: 4962000 CPU: 14896.2, 0.00294902/step Wall: 14896.2, 0.00294902/step, 0.0311285 hours remaining, 209.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4962000 750.6581 2041.3917 1947.9484 116.4818 -206484.6733 17955.7182 0.0000 0.0000 34347.7117 -149324.7634 299.9671 -183672.4751 -149222.6536 299.9335 -115.4843 -80.6230 558776.0473 5.9624 6.0096 PRESSURE: 4962200 126.853 -97.5556 166.359 -97.5551 270.978 103.865 166.358 103.864 81.5002 GPRESSURE: 4962200 203.125 -2.92716 167.066 -149.614 246.442 89.1968 120.267 48.2348 126.86 PRESSAVG: 4962200 21.5178 -72.2786 5.24338 -72.2786 -107.448 63.7616 5.24342 63.7617 86.3682 GPRESSAVG: 4962200 20.756 -73.0498 5.97232 -72.2614 -106.501 64.2227 5.16851 62.6479 86.4036 TIMING: 4962200 CPU: 14896.8, 0.0029882/step Wall: 14896.8, 0.0029882/step, 0.0313761 hours remaining, 209.750000 MB of memory in use. ENERGY: 4962200 755.2471 2148.9517 1927.8281 110.8928 -206231.8488 17996.2850 0.0000 0.0000 34334.0674 -148958.5767 299.8479 -183292.6441 -148848.6397 299.9787 159.7769 192.1422 559778.3638 0.1461 0.2194 PRESSURE: 4962400 -227.179 -82.1258 97.243 -82.1252 55.6201 14.0696 97.242 14.0706 -118.253 GPRESSURE: 4962400 -181.018 -102.65 45.6611 -106.641 37.515 56.3156 113.682 -2.29417 -58.1457 PRESSAVG: 4962400 -25.1493 -38.9056 -16.1014 -38.9056 -7.71023 49.6263 -16.1015 49.6263 24.9281 GPRESSAVG: 4962400 -24.6743 -38.9011 -17.8763 -37.8465 -8.25954 50.2352 -14.4965 49.6411 24.8785 TIMING: 4962400 CPU: 14897.4, 0.00298145/step Wall: 14897.4, 0.00298145/step, 0.0311396 hours remaining, 209.750000 MB of memory in use. ENERGY: 4962400 760.7196 2144.5165 1931.6911 105.9584 -205824.4921 17730.7514 0.0000 0.0000 34294.1405 -148856.7144 299.4993 -183150.8550 -148761.5945 299.6886 -96.6038 -67.2162 560725.1073 -2.6438 -2.6851 PRESSURE: 4962600 -122.555 152.946 -153.467 152.946 -78.2569 -194.363 -153.467 -194.362 94.9156 GPRESSURE: 4962600 -87.2373 191.42 -161.737 76.1479 -25.4886 -206.838 -159.104 -229.465 97.5984 PRESSAVG: 4962600 -30.0898 -12.9512 -42.1115 -12.9513 28.3906 2.31771 -42.1115 2.31758 20.6501 GPRESSAVG: 4962600 -30.4844 -13.6171 -41.5292 -15.6735 29.1258 1.03112 -41.9143 1.629 20.6218 TIMING: 4962600 CPU: 14898, 0.00296736/step Wall: 14898, 0.00296736/step, 0.0308275 hours remaining, 209.750000 MB of memory in use. ENERGY: 4962600 767.4930 2095.2078 1931.6130 116.6404 -206060.7060 17868.4289 0.0000 0.0000 34370.0956 -148911.2272 300.1626 -183281.3228 -148817.8825 300.1214 -35.2988 -5.0425 558771.4988 6.3170 6.4211 PRESSURE: 4962800 -310.528 119.684 -104.227 119.683 6.2356 -22.7067 -104.228 -22.7044 18.6802 GPRESSURE: 4962800 -234.357 105.77 -99.2359 134.353 25.0194 -12.4376 -123.351 -36.0908 26.572 PRESSAVG: 4962800 1.8943 0.887831 -90.362 0.887915 -6.05605 -5.73545 -90.3619 -5.73537 18.4482 GPRESSAVG: 4962800 3.56348 3.00197 -87.453 1.90662 -7.40074 -5.49665 -91.7136 -5.63253 18.2795 TIMING: 4962800 CPU: 14898.6, 0.00298506/step Wall: 14898.6, 0.00298506/step, 0.0308456 hours remaining, 209.750000 MB of memory in use. ENERGY: 4962800 730.7139 2081.4943 1916.6204 123.2759 -206385.3724 17961.4925 0.0000 0.0000 34458.7634 -149113.0120 300.9370 -183571.7753 -149020.4766 299.7471 -95.2041 -60.9220 559828.1779 4.7622 4.8141 PRESSURE: 4963000 -386.658 -53.7748 -141.27 -53.7756 -172.162 -167.448 -141.27 -167.449 115.669 GPRESSURE: 4963000 -344.549 -25.3217 -120.219 -84.3183 -114.59 -66.8606 -206.803 -157.829 121.179 PRESSAVG: 4963000 -20.4478 -13.2307 -52.4471 -13.2307 88.1892 -23.9087 -52.4471 -23.9087 -60.345 GPRESSAVG: 4963000 -21.2204 -12.8908 -53.5116 -14.2881 89.0218 -22.7334 -51.6568 -24.1718 -60.6167 TIMING: 4963000 CPU: 14899.2, 0.00297616/step Wall: 14899.2, 0.00297616/step, 0.0305884 hours remaining, 209.750000 MB of memory in use. ENERGY: 4963000 704.4929 2076.0942 1920.7425 103.1090 -205933.8854 17845.9605 0.0000 0.0000 33943.9676 -149339.5188 296.4411 -183283.4863 -149243.1878 298.6221 -147.7171 -112.6534 559852.3737 2.4655 2.3949 PRESSURE: 4963200 -275.306 -64.0352 22.0796 -64.0356 13.5356 161.916 22.0775 161.914 -57.1123 GPRESSURE: 4963200 -227.624 -47.7425 -34.9194 -75.4241 31.3197 161.655 78.3749 147.735 -21.4807 PRESSAVG: 4963200 -62.2551 -18.0199 -5.31117 -18.02 30.4569 -28.9703 -5.31114 -28.9704 1.75967 GPRESSAVG: 4963200 -62.9845 -20.2028 -6.14673 -17.4599 29.5915 -31.6148 -4.04482 -27.8381 2.56408 TIMING: 4963200 CPU: 14899.8, 0.00297658/step Wall: 14899.8, 0.00297658/step, 0.0304273 hours remaining, 209.750000 MB of memory in use. ENERGY: 4963200 727.8265 2064.3016 1932.0695 111.0808 -206229.9598 17747.1528 0.0000 0.0000 34282.5512 -149364.9774 299.3980 -183647.5285 -149267.8985 298.3120 -106.2941 -72.5950 557455.2173 -10.0128 -10.2763 PRESSURE: 4963400 -13.9707 59.8012 -18.8208 59.8014 -242.03 67.9358 -18.8199 67.9337 66.7825 GPRESSURE: 4963400 39.3129 169.012 -37.6263 3.74953 -192.243 14.4107 42.2391 96.2025 58.5342 PRESSAVG: 4963400 -16.626 -25.9669 -11.3668 -25.9668 43.3515 18.4426 -11.3668 18.4426 -61.0055 GPRESSAVG: 4963400 -16.5926 -25.3766 -11.3705 -26.7054 42.9109 19.7164 -12.6117 19.447 -60.1578 TIMING: 4963400 CPU: 14900.4, 0.0029903/step Wall: 14900.4, 0.0029903/step, 0.0304014 hours remaining, 209.750000 MB of memory in use. ENERGY: 4963400 751.3483 2105.6086 1929.9571 112.9907 -206175.8436 17744.7471 0.0000 0.0000 34209.6957 -149321.4961 298.7618 -183531.1918 -149225.2270 298.3423 -63.0727 -31.4653 557575.6516 -11.4267 -11.2798 PRESSURE: 4963600 -132.889 18.6722 -105.847 18.6744 -50.3947 159.925 -105.847 159.927 165.394 GPRESSURE: 4963600 -134.219 -92.486 -60.0125 98.7288 7.97947 190.8 -73.4822 152.826 197.156 PRESSAVG: 4963600 -32.2451 10.8346 -6.95089 10.8345 26.2849 7.27292 -6.95089 7.27305 8.50414 GPRESSAVG: 4963600 -31.7327 11.2798 -5.89593 11.5557 28.1149 7.38047 -8.00583 7.28412 6.82416 TIMING: 4963600 CPU: 14901, 0.00301508/step Wall: 14901, 0.00301508/step, 0.0304858 hours remaining, 209.750000 MB of memory in use. ENERGY: 4963600 725.9254 2111.7098 1907.1860 118.2214 -206165.6836 17707.4691 0.0000 0.0000 34231.9691 -149363.2029 298.9563 -183595.1720 -149262.6064 298.7569 -5.9632 23.6388 555906.9853 0.8480 1.0688 PRESSURE: 4963800 -212.315 -154.074 -18.5008 -154.075 -328.472 -88.8481 -18.5024 -88.8498 -120.164 GPRESSURE: 4963800 -165.607 -140.463 -30.8148 -198.739 -335.795 -57.204 39.3306 -45.9964 -53.2292 PRESSAVG: 4963800 -26.0845 25.6806 -45.9229 25.6805 83.9692 24.0475 -45.9229 24.0475 -20.8586 GPRESSAVG: 4963800 -26.6398 25.2076 -44.8937 25.6679 83.0618 25.1864 -47.742 22.2233 -19.274 TIMING: 4963800 CPU: 14901.6, 0.00297795/step Wall: 14901.6, 0.00297795/step, 0.029945 hours remaining, 209.750000 MB of memory in use. ENERGY: 4963800 719.9539 2074.1347 1923.8307 107.2099 -205911.6627 17317.6408 0.0000 0.0000 34315.6992 -149453.1934 299.6875 -183768.8926 -149362.2045 298.7536 -220.3169 -184.8770 555863.6779 12.3420 12.3827 PRESSURE: 4964000 173.442 -128.363 34.7716 -128.364 -36.7429 28.1265 34.7728 28.1262 28.1099 GPRESSURE: 4964000 207.363 -143.893 22.6479 -154.319 -24.043 118.071 32.179 -8.11966 79.4346 PRESSAVG: 4964000 33.3645 -55.7266 -31.005 -55.7265 2.02065 39.3724 -31.005 39.3726 -52.509 GPRESSAVG: 4964000 33.0791 -54.532 -31.4162 -56.2289 3.33747 37.9133 -27.2092 41.6583 -53.5143 TIMING: 4964000 CPU: 14902.2, 0.00300164/step Wall: 14902.2, 0.00300164/step, 0.0300164 hours remaining, 209.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4964000 710.1498 2093.4116 1977.3405 112.9734 -206131.6106 17769.5282 0.0000 0.0000 33907.5840 -149560.6231 296.1234 -183468.2072 -149471.4349 298.4054 54.9364 87.5847 555972.6096 -5.7079 -5.6992 PRESSURE: 4964200 9.53566 -19.6144 10.863 -19.6154 96.6277 169.106 10.8621 169.106 -142.733 GPRESSURE: 4964200 42.2821 5.11755 -0.396245 -98.0791 134.237 104.161 -14.8362 148.709 -97.3376 PRESSAVG: 4964200 20.7915 -80.2729 -62.9476 -80.273 -19.3303 16.4822 -62.9476 16.4822 4.31066 GPRESSAVG: 4964200 21.4286 -80.6884 -63.4554 -80.1573 -19.0389 17.4801 -64.6343 15.2819 3.4998 TIMING: 4964200 CPU: 14902.8, 0.00299853/step Wall: 14902.8, 0.00299853/step, 0.0298187 hours remaining, 209.750000 MB of memory in use. ENERGY: 4964200 721.2830 2080.7880 1950.0915 116.3191 -206313.6050 17837.1049 0.0000 0.0000 34092.4059 -149515.6125 297.7375 -183608.0185 -149415.2686 298.7016 -12.1900 26.3940 556496.1543 1.9240 1.9632 LDB: ============= START OF LOAD BALANCING ============== 14906.3 LDB: ============== END OF LOAD BALANCING =============== 14906.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14906.3 LDB: ============= START OF LOAD BALANCING ============== 14906.6 LDB: Largest compute 4796 load 0.028888 is 24.4% of average load 0.118295 LDB: Average compute 0.001732 is 1.5% of average load 0.118295 LDB: TIME 14906.6 LOAD: AVG 0.118295 MAX 0.21299 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.48 MB LDB: TIME 14906.6 LOAD: AVG 0.118295 MAX 0.21299 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.688 MB LDB: TIME 14906.6 LOAD: AVG 0.118295 MAX 0.21299 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.688 MB LDB: ============== END OF LOAD BALANCING =============== 14906.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14906.6 PRESSURE: 4964400 4.1488 58.9649 -19.1225 58.9652 213.014 115.957 -19.1218 115.956 214.462 GPRESSURE: 4964400 9.54016 90.8317 -56.178 48.7831 255.19 111.532 42.4755 36.2973 267.869 PRESSAVG: 4964400 36.5348 -32.3999 37.9327 -32.3998 1.95377 -5.18754 37.9327 -5.18746 -4.27906 GPRESSAVG: 4964400 35.6811 -32.8916 37.7334 -32.2074 1.22549 -6.79093 37.8306 -4.33977 -2.8779 TIMING: 4964400 CPU: 14903.4, 0.00307048/step Wall: 14903.4, 0.00307048/step, 0.0303637 hours remaining, 209.175781 MB of memory in use. ENERGY: 4964400 748.3923 2101.6237 1949.7045 112.0619 -206923.6716 18047.0333 0.0000 0.0000 34153.7183 -149811.1376 298.2729 -183964.8559 -149716.1569 297.8821 143.8749 177.5329 555742.4836 11.4032 11.3429 PRESSURE: 4964600 -103.333 -74.9645 -39.4012 -74.9651 227.033 121.239 -39.4015 121.238 -113.735 GPRESSURE: 4964600 -88.4592 -177.124 -122.842 -33.7205 280.747 228.409 18.2537 66.9797 -88.6467 PRESSAVG: 4964600 8.29428 55.8335 15.7408 55.8335 -10.6048 25.3149 15.7408 25.3149 23.7644 GPRESSAVG: 4964600 8.0956 55.9174 15.4261 55.9488 -9.59898 25.8439 18.6895 24.0776 22.7616 TIMING: 4964600 CPU: 14904, 0.00301733/step Wall: 14904, 0.00301733/step, 0.0296704 hours remaining, 209.246094 MB of memory in use. ENERGY: 4964600 702.2697 2054.7879 1940.1968 103.4390 -206646.5589 17920.2870 0.0000 0.0000 34059.8595 -149865.7189 297.4532 -183925.5784 -149767.7200 297.4128 3.3219 34.5472 556116.3266 7.1513 7.0861 PRESSURE: 4964800 43.2476 36.6704 118.431 36.671 176.121 -28.3523 118.43 -28.3521 -225.191 GPRESSURE: 4964800 103.778 36.4195 114.459 40.6009 158.19 11.1754 131.428 -87.7188 -179.38 PRESSAVG: 4964800 21.8828 16.2464 -15.0507 16.2464 51.3064 13.0451 -15.0507 13.0451 -10.2791 GPRESSAVG: 4964800 21.7733 17.7533 -17.2289 14.3165 50.1514 12.9087 -15.8669 12.9119 -8.55773 TIMING: 4964800 CPU: 14904.6, 0.00296592/step Wall: 14904.6, 0.00296592/step, 0.0290001 hours remaining, 209.324219 MB of memory in use. ENERGY: 4964800 739.9147 2045.7869 1931.5755 110.3566 -206792.7516 17985.6848 0.0000 0.0000 34184.8141 -149794.6190 298.5445 -183979.4332 -149706.3465 297.6741 -1.9407 27.5297 556645.2671 20.9700 21.1223 PRESSURE: 4965000 -100.877 45.3955 -3.00896 45.3951 66.1543 -54.2794 -3.00834 -54.2793 94.3457 GPRESSURE: 4965000 -30.4476 3.24322 34.4976 86.0037 75.7935 -82.2853 -15.892 -9.84924 110.762 PRESSAVG: 4965000 -11.0838 9.74222 10.8574 9.74215 30.8095 22.9855 10.8575 22.9854 11.9952 GPRESSAVG: 4965000 -9.20924 10.3733 12.1814 11.3616 31.1422 23.9678 11.6404 23.2808 9.66006 TIMING: 4965000 CPU: 14905.2, 0.00296965/step Wall: 14905.2, 0.00296965/step, 0.0288716 hours remaining, 209.324219 MB of memory in use. ENERGY: 4965000 752.2738 2098.5573 1936.2627 100.4935 -207033.8150 18124.5244 0.0000 0.0000 34201.3575 -149820.3458 298.6890 -184021.7033 -149722.1200 297.5457 19.8744 52.0359 557710.7185 10.5736 10.5310 PRESSURE: 4965200 122.807 -37.709 -102.309 -37.7094 90.1631 -113.288 -102.31 -113.287 51.0173 GPRESSURE: 4965200 220.372 -118.204 -126.45 -0.931014 83.5119 -97.5346 -44.4711 -139.062 55.7287 PRESSAVG: 4965200 58.9804 -21.0029 14.958 -21.0028 -78.3246 -27.5767 14.958 -27.5767 15.4618 GPRESSAVG: 4965200 58.7127 -24.8223 13.7822 -20.0075 -78.4079 -27.8654 14.8648 -28.1442 15.5691 TIMING: 4965200 CPU: 14905.8, 0.00294945/step Wall: 14905.8, 0.00294945/step, 0.0285113 hours remaining, 209.324219 MB of memory in use. ENERGY: 4965200 724.4099 2065.3735 1918.1518 109.6542 -206661.5734 18039.4133 0.0000 0.0000 34124.7437 -149679.8270 298.0199 -183804.5707 -149585.3799 298.5274 87.9959 119.8708 557641.2784 -1.2941 -1.3754 PRESSURE: 4965400 284.185 -87.0299 -103.107 -87.0308 117.31 152.089 -103.107 152.086 18.4565 GPRESSURE: 4965400 327.677 -97.2096 -85.9959 -66.08 164.122 120.34 -72.7289 167.736 15.4944 PRESSAVG: 4965400 25.8855 -17.7139 19.2239 -17.7141 25.6411 26.8 19.2239 26.8001 -30.044 GPRESSAVG: 4965400 26.4931 -16.5405 20.6163 -16.9784 25.3013 27.9939 17.6722 27.1145 -29.3672 TIMING: 4965400 CPU: 14906.4, 0.00295362/step Wall: 14906.4, 0.00295362/step, 0.0283876 hours remaining, 209.324219 MB of memory in use. ENERGY: 4965400 727.9314 2133.9611 1929.9032 104.7098 -206323.8225 17914.4106 0.0000 0.0000 34004.1576 -149508.7488 296.9668 -183512.9064 -149417.8057 298.1059 139.9840 169.0976 557056.8702 7.1609 7.4757 PRESSURE: 4965600 24.9198 -23.4877 16.1106 -23.4883 1.18237 31.9661 16.1102 31.9653 71.7029 GPRESSURE: 4965600 11.7039 0.223372 126.504 -33.7434 42.9132 84.6301 27.5131 -2.69599 141.89 PRESSAVG: 4965600 56.3857 6.57898 -6.44236 6.57884 -14.7717 41.9089 -6.44249 41.9088 -8.51501 GPRESSAVG: 4965600 55.2208 7.65131 -7.35193 6.87403 -14.4799 41.2447 -3.98597 41.5302 -8.11766 TIMING: 4965600 CPU: 14907, 0.00296079/step Wall: 14907, 0.00296079/step, 0.028292 hours remaining, 209.324219 MB of memory in use. ENERGY: 4965600 713.5698 2073.3907 1927.8092 123.9544 -206274.0757 17923.1896 0.0000 0.0000 34070.8879 -149441.2741 297.5495 -183512.1620 -149347.1498 298.4024 32.6017 65.5022 556762.9495 11.0330 10.8744 PRESSURE: 4965800 226.891 -164.463 321.868 -164.464 7.85546 1.38827 321.868 1.38867 214.909 GPRESSURE: 4965800 209.344 -187.871 223.213 -166.515 85.2162 20.9992 319.667 -1.40473 257.288 PRESSAVG: 4965800 -7.84599 -44.7672 49.1823 -44.7672 -58.8028 38.3289 49.1822 38.3288 4.93636 GPRESSAVG: 4965800 -7.60265 -44.1857 48.3694 -46.6409 -59.1107 38.3664 48.5989 39.3342 4.9301 TIMING: 4965800 CPU: 14907.6, 0.00299261/step Wall: 14907.6, 0.00299261/step, 0.0284298 hours remaining, 209.324219 MB of memory in use. ENERGY: 4965800 763.6541 2102.6388 1920.1215 112.8755 -206639.7836 18074.0786 0.0000 0.0000 34166.5087 -149499.9065 298.3846 -183666.4151 -149408.8804 298.4993 149.8853 183.9493 555792.5169 -20.5708 -20.5944 PRESSURE: 4966000 86.289 -45.1238 -127.68 -45.1249 -75.1418 13.9079 -127.68 13.9076 -60.9678 GPRESSURE: 4966000 70.1688 -20.0109 -163.004 -99.4641 -16.534 -84.7412 -40.1374 23.2489 -12.8391 PRESSAVG: 4966000 22.1271 -5.19606 2.05083 -5.19609 -34.2958 12.2264 2.05079 12.2265 48.2994 GPRESSAVG: 4966000 21.2329 -4.5823 2.91331 -5.00069 -33.9199 11.4727 0.624904 12.5001 48.5487 TIMING: 4966000 CPU: 14908.2, 0.00300487/step Wall: 14908.2, 0.00300487/step, 0.0283793 hours remaining, 209.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4966000 738.5700 2068.1278 1946.0926 131.3779 -206733.8271 18019.0170 0.0000 0.0000 34316.9899 -149513.6520 299.6988 -183830.6419 -149412.4468 298.4905 -16.6069 13.5986 558233.7925 12.0435 11.9539 PRESSURE: 4966200 302.335 195.63 74.4627 195.63 131.094 10.8272 74.462 10.8275 108.877 GPRESSURE: 4966200 335.233 178.17 40.0193 254.15 165.285 54.2626 75.873 5.29309 143.851 PRESSAVG: 4966200 -40.5082 -12.8126 -15.8414 -12.8126 11.9122 9.96088 -15.8414 9.96079 54.9348 GPRESSAVG: 4966200 -40.4497 -14.6126 -17.8069 -11.1605 12.7712 9.32144 -15.7238 8.95421 54.0871 TIMING: 4966200 CPU: 14908.8, 0.00301658/step Wall: 14908.8, 0.00301658/step, 0.0283223 hours remaining, 209.566406 MB of memory in use. ENERGY: 4966200 733.3832 2037.8965 1945.3554 113.4513 -206797.1525 18102.6761 0.0000 0.0000 34158.5925 -149705.7975 298.3155 -183864.3901 -149605.2120 298.6446 180.7689 214.7893 555265.0049 8.7796 8.8029 PRESSURE: 4966400 -136.03 -101.391 -97.3522 -101.391 36.9107 -33.9615 -97.3526 -33.963 204.194 GPRESSURE: 4966400 -117.842 -60.4428 -140.621 -73.2553 118.714 97.1747 -36.3515 -33.4047 201.102 PRESSAVG: 4966400 -23.7812 6.58441 19.6891 6.58436 -29.0928 -13.2594 19.689 -13.2595 47.5995 GPRESSAVG: 4966400 -24.0038 7.51662 20.7237 3.96444 -29.0043 -11.7774 21.557 -13.5362 47.6779 TIMING: 4966400 CPU: 14909.4, 0.00298952/step Wall: 14909.4, 0.00298952/step, 0.0279022 hours remaining, 209.566406 MB of memory in use. ENERGY: 4966400 755.2923 2075.1073 1950.9654 119.3743 -206479.6014 17799.9642 0.0000 0.0000 34109.5109 -149669.3869 297.8868 -183778.8978 -149576.4013 298.3613 35.0247 67.3244 555483.1644 -1.7582 -1.7767 PRESSURE: 4966600 -118.666 37.6406 48.2998 37.6417 -94.8184 -86.6642 48.2989 -86.6618 -266.937 GPRESSURE: 4966600 -149.466 50.6619 157.19 60.5193 -32.1551 -67.0406 -39.3554 -85.5502 -206.645 PRESSAVG: 4966600 57.1703 9.865 29.6391 9.865 -93.5597 -43.2641 29.639 -43.2643 76.3222 GPRESSAVG: 4966600 57.05 9.57381 30.4062 10.0974 -93.2575 -43.4059 27.295 -42.1989 76.1432 TIMING: 4966600 CPU: 14910, 0.00297356/step Wall: 14910, 0.00297356/step, 0.027588 hours remaining, 209.566406 MB of memory in use. ENERGY: 4966600 773.4127 2099.4956 1912.8014 126.4015 -206420.1811 17852.4419 0.0000 0.0000 34201.2699 -149454.3581 298.6882 -183655.6280 -149360.5193 298.2435 -160.1403 -129.4219 557435.0969 13.3109 13.3119 PRESSURE: 4966800 19.7446 33.3835 153.51 33.3849 -22.2701 132.939 153.509 132.939 -125.459 GPRESSURE: 4966800 38.7801 39.7937 75.8967 -42.9419 28.9376 93.4308 116.224 100.728 -105.715 PRESSAVG: 4966800 -5.50444 -10.7023 32.1214 -10.7023 -20.6762 -25.6725 32.1215 -25.6726 23.7179 GPRESSAVG: 4966800 -4.5527 -9.98138 30.5267 -10.4413 -21.9028 -26.8608 33.5875 -26.0726 24.5696 TIMING: 4966800 CPU: 14910.6, 0.00296972/step Wall: 14910.6, 0.00296972/step, 0.0273874 hours remaining, 209.566406 MB of memory in use. ENERGY: 4966800 715.6660 2066.3634 1927.0640 122.8405 -206294.6260 17665.9811 0.0000 0.0000 34344.7739 -149451.9372 299.9415 -183796.7110 -149354.9214 298.5185 -42.6614 -12.6659 556985.0056 -0.8209 -0.6286 PRESSURE: 4967000 -6.6589 -0.0493683 32.3449 -0.0473171 141.33 -17.7491 32.3458 -17.7499 117.347 GPRESSURE: 4967000 77.1258 -12.2399 74.0757 3.96647 109.136 -17.0783 -41.7311 -29.1737 157.292 PRESSAVG: 4967000 30.0551 -1.89771 43.7726 -1.89774 30.4707 -33.4322 43.7726 -33.4322 -71.0946 GPRESSAVG: 4967000 30.0617 -4.34115 46.0494 -0.380666 29.4257 -31.8021 41.2161 -33.9527 -70.5258 TIMING: 4967000 CPU: 14911.1, 0.00296678/step Wall: 14911.1, 0.00296678/step, 0.0271955 hours remaining, 209.566406 MB of memory in use. ENERGY: 4967000 734.6230 2080.9750 1946.1702 102.3078 -206493.1069 18046.6881 0.0000 0.0000 34215.6124 -149366.7304 298.8135 -183582.3429 -149271.7151 298.4750 84.0060 114.5179 556040.8703 -3.5230 -3.6795 PRESSURE: 4967200 92.65 25.8212 -15.3464 25.8213 -190.012 46.3802 -15.3467 46.381 84.939 GPRESSURE: 4967200 133.858 2.63317 32.1554 25.4483 -128.443 37.3875 -33.8498 -16.17 82.9164 PRESSAVG: 4967200 8.26845 5.65141 -13.6511 5.65137 27.8733 -23.9384 -13.6511 -23.9387 -49.0198 GPRESSAVG: 4967200 7.8838 8.55198 -12.2985 5.36273 28.9261 -25.0367 -13.606 -22.4348 -49.0675 TIMING: 4967200 CPU: 14911.7, 0.00298513/step Wall: 14911.7, 0.00298513/step, 0.0271978 hours remaining, 209.566406 MB of memory in use. ENERGY: 4967200 777.5261 2093.1356 1929.6053 111.0990 -205850.0864 17625.7772 0.0000 0.0000 34101.4505 -149211.4927 297.8164 -183312.9433 -149121.3316 298.7996 -4.1410 29.4440 556001.0864 -4.2927 -4.0859 PRESSURE: 4967400 247.237 -190.696 -96.0712 -190.696 212.779 187.352 -96.0724 187.352 148.036 GPRESSURE: 4967400 307.296 -156.864 -45.5326 -240.17 230.336 190.347 -127.32 202.407 168.223 PRESSAVG: 4967400 21.9568 -1.82799 20.3429 -1.82791 20.178 11.2687 20.343 11.2686 -23.8564 GPRESSAVG: 4967400 22.0841 0.477094 20.1156 -4.13762 19.7406 11.6921 19.9941 9.75916 -23.9669 TIMING: 4967400 CPU: 14912.3, 0.00296326/step Wall: 14912.3, 0.00296326/step, 0.026834 hours remaining, 209.566406 MB of memory in use. ENERGY: 4967400 765.7545 2059.7716 1951.5462 117.8617 -206274.8089 17986.3866 0.0000 0.0000 34399.9086 -148993.5796 300.4230 -183393.4883 -148892.6720 300.0108 202.6841 235.2850 555462.9411 6.0928 5.9526 PRESSURE: 4967600 51.74 75.2849 78.6581 75.2846 -23.5145 108.959 78.6578 108.959 133.316 GPRESSURE: 4967600 89.9266 34.8061 40.7705 23.194 20.5759 61.5955 121.162 159.665 135.923 PRESSAVG: 4967600 -9.66213 -14.2919 -16.1769 -14.2919 -23.1237 20.7601 -16.177 20.7601 12.2583 GPRESSAVG: 4967600 -9.01417 -17.6106 -19.8667 -12.1734 -23.8927 20.2784 -12.7507 20.0851 12.0008 TIMING: 4967600 CPU: 14912.9, 0.00298491/step Wall: 14912.9, 0.00298491/step, 0.0268642 hours remaining, 209.566406 MB of memory in use. ENERGY: 4967600 742.0573 2046.7258 1946.8669 106.4409 -206313.0295 17979.0995 0.0000 0.0000 34365.3637 -149126.4754 300.1213 -183491.8391 -149027.8993 300.2212 53.8472 82.1418 556533.1158 -6.8425 -6.9687 PRESSURE: 4967800 141.899 166.522 77.7169 166.522 -160.338 -13.3518 77.7155 -13.352 -98.5376 GPRESSURE: 4967800 161.291 121.602 35.8791 187.944 -63.9386 -42.2842 52.5034 -4.67967 -126.459 PRESSAVG: 4967800 -33.9044 22.523 51.2231 22.523 24.899 46.7673 51.2231 46.7673 41.3185 GPRESSAVG: 4967800 -33.8867 23.9691 53.2669 21.9066 25.0583 47.5901 49.0778 46.7515 41.8168 TIMING: 4967800 CPU: 14913.5, 0.00299952/step Wall: 14913.5, 0.00299952/step, 0.0268291 hours remaining, 209.566406 MB of memory in use. ENERGY: 4967800 716.0331 2014.9364 1940.2939 119.2398 -206086.2652 17738.2792 0.0000 0.0000 34499.9656 -149057.5174 301.2968 -183557.4829 -148957.2572 299.9045 -38.9924 -9.7025 557844.4709 10.7710 10.9961 PRESSURE: 4968000 -162.215 13.8689 -76.4107 13.869 -146.04 -199.387 -76.4102 -199.388 -214.05 GPRESSURE: 4968000 -170.131 10.9763 -40.4885 -28.1594 -121.756 -156.059 -47.2696 -193.22 -133.226 PRESSAVG: 4968000 20.7977 12.3334 36.8589 12.3334 -10.5739 43.1685 36.8589 43.1686 2.58136 GPRESSAVG: 4968000 19.1824 11.8647 38.5273 12.513 -10.5102 42.6577 36.5104 45.1717 3.16413 TIMING: 4968000 CPU: 14914.1, 0.00296728/step Wall: 14914.1, 0.00296728/step, 0.0263758 hours remaining, 209.566406 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: 4968000 772.3580 2039.0324 1914.4300 117.1625 -205900.7904 17606.3399 0.0000 0.0000 34422.4159 -149029.0517 300.6195 -183451.4676 -148938.3728 300.2745 -174.1019 -141.7045 557746.9251 4.2684 3.9455 PRESSURE: 4968200 21.7465 90.9352 -101.952 90.9349 21.6931 75.7761 -101.952 75.7752 104.954 GPRESSURE: 4968200 40.8527 71.1444 -190.651 25.2113 38.6872 55.3398 -49.545 70.6482 160.758 PRESSAVG: 4968200 4.24991 7.27464 16.803 7.27461 -34.6419 22.1622 16.803 22.1621 62.7281 GPRESSAVG: 4968200 5.69206 5.68436 14.2111 9.4047 -35.4544 22.3402 19.1723 22.7597 62.3244 TIMING: 4968200 CPU: 14914.7, 0.00297798/step Wall: 14914.7, 0.00297798/step, 0.0263055 hours remaining, 209.566406 MB of memory in use. ENERGY: 4968200 722.2801 2112.7079 1918.1077 101.7926 -205934.0436 17892.3493 0.0000 0.0000 34198.9167 -148987.8894 298.6676 -183186.8061 -148896.9159 299.8460 49.4644 80.0994 557446.1308 10.7787 10.8540 LDB: ============= START OF LOAD BALANCING ============== 14918.2 LDB: ============== END OF LOAD BALANCING =============== 14918.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14918.2 LDB: ============= START OF LOAD BALANCING ============== 14918.5 LDB: Largest compute 4796 load 0.028524 is 24.1% of average load 0.118266 LDB: Average compute 0.001733 is 1.5% of average load 0.118266 LDB: TIME 14918.5 LOAD: AVG 0.118266 MAX 0.212104 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.488 MB LDB: TIME 14918.5 LOAD: AVG 0.118266 MAX 0.212104 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.691 MB LDB: TIME 14918.5 LOAD: AVG 0.118266 MAX 0.212104 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.691 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14918.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14918.5 PRESSURE: 4968400 -140.23 -194.687 -70.5212 -194.688 -62.9405 -54.2737 -70.5204 -54.2734 130.518 GPRESSURE: 4968400 -124.972 -45.9718 -148.243 -287.774 19.2025 -27.77 55.8697 -85.2652 120.746 PRESSAVG: 4968400 -38.0463 27.7522 2.80811 27.7522 -14.299 49.1089 2.8082 49.1089 26.8489 GPRESSAVG: 4968400 -38.9296 28.23 2.66019 27.4226 -13.1979 48.338 3.14343 48.2524 26.7255 TIMING: 4968400 CPU: 14915.3, 0.00305429/step Wall: 14915.3, 0.00305429/step, 0.0268099 hours remaining, 209.296875 MB of memory in use. ENERGY: 4968400 712.8906 2139.4468 1908.2471 127.0911 -206219.4154 17961.1322 0.0000 0.0000 34376.8562 -148993.7514 300.2216 -183370.6077 -148894.2585 299.8766 -24.2176 4.9919 557407.5679 -8.4988 -8.4673 PRESSURE: 4968600 -40.2985 -77.4165 -27.2734 -77.4155 138.756 -4.42432 -27.2733 -4.42457 -416.352 GPRESSURE: 4968600 0.618026 -51.1338 -45.4358 -112.246 150.904 -33.6491 -46.6527 61.9174 -386.99 PRESSAVG: 4968600 -18.5562 2.55321 -63.8041 2.55336 28.6594 -7.89301 -63.8041 -7.89304 -30.7915 GPRESSAVG: 4968600 -17.8302 3.20204 -64.0255 0.975127 28.0286 -8.90893 -62.5007 -8.07936 -30.7043 TIMING: 4968600 CPU: 14915.9, 0.00298814/step Wall: 14915.9, 0.00298814/step, 0.0260632 hours remaining, 209.500000 MB of memory in use. ENERGY: 4968600 754.7440 2084.7328 1902.8487 110.4834 -205729.5802 17698.7842 0.0000 0.0000 34131.3815 -149046.6056 298.0778 -183177.9871 -148944.9295 299.9845 -105.9648 -78.4895 558812.1035 -6.8961 -6.8353 PRESSURE: 4968800 -23.6382 295.042 22.89 295.043 83.1676 -97.2599 22.891 -97.2604 -64.3341 GPRESSURE: 4968800 -4.69012 358.744 -50.1356 270.481 108.72 -56.3378 118.973 -84.4017 -2.77011 PRESSAVG: 4968800 -96.1779 -33.3317 2.30029 -33.3317 95.695 21.2605 2.30021 21.2605 6.39854 GPRESSAVG: 4968800 -97.7473 -33.0982 5.04918 -33.7196 96.6658 22.3655 -0.514674 19.9485 6.90521 TIMING: 4968800 CPU: 14916.5, 0.00296683/step Wall: 14916.5, 0.00296683/step, 0.0257126 hours remaining, 209.500000 MB of memory in use. ENERGY: 4968800 719.7672 2055.0275 1945.8466 109.2342 -205528.7204 17642.4176 0.0000 0.0000 34184.6765 -148871.7508 298.5433 -183056.4273 -148772.8993 299.8651 -1.6016 33.7531 558200.4316 1.9719 1.9413 PRESSURE: 4969000 65.3973 -88.5784 131.583 -88.5771 111.094 -53.7082 131.582 -53.7089 -139.702 GPRESSURE: 4969000 155.857 -90.192 56.182 -94.5845 108.777 67.2788 226.339 -72.6568 -119.812 PRESSAVG: 4969000 -13.4986 32.6389 -1.98202 32.6389 -9.19956 13.1012 -1.98194 13.1011 27.3065 GPRESSAVG: 4969000 -11.9678 34.3382 -3.44836 31.3834 -11.1725 13.5115 -0.744082 14.3185 27.8399 TIMING: 4969000 CPU: 14917.1, 0.00296426/step Wall: 14917.1, 0.00296426/step, 0.0255256 hours remaining, 209.710938 MB of memory in use. ENERGY: 4969000 749.2604 2065.7731 1934.4600 112.4227 -206212.2060 17921.3764 0.0000 0.0000 34313.6702 -149115.2433 299.6698 -183428.9134 -149016.4802 299.6820 12.2630 48.2738 558511.7450 1.5361 1.5665 PRESSURE: 4969200 164.37 121.985 -28.2599 121.985 137.927 -235.911 -28.2593 -235.911 -54.691 GPRESSURE: 4969200 239.851 169.224 52.0711 74.009 138.668 -252.319 -145.301 -226.727 -31.8375 PRESSAVG: 4969200 -21.8501 12.5092 -13.4763 12.5092 2.12065 -15.7705 -13.4763 -15.7704 10.5978 GPRESSAVG: 4969200 -21.7706 10.2407 -13.0713 14.5403 4.6534 -16.6172 -13.8178 -16.6483 7.94517 TIMING: 4969200 CPU: 14917.7, 0.0029525/step Wall: 14917.7, 0.0029525/step, 0.0252603 hours remaining, 209.710938 MB of memory in use. ENERGY: 4969200 711.6156 2053.2716 1943.6310 108.8111 -206082.9251 17842.4501 0.0000 0.0000 34121.5006 -149301.6450 297.9916 -183423.1456 -149210.3926 299.5406 82.5352 115.5606 557094.9321 -3.0439 -3.0573 PRESSURE: 4969400 44.2382 22.7737 -19.7429 22.7738 139.222 -68.4118 -19.7423 -68.4115 -286.99 GPRESSURE: 4969400 112.205 -60.8614 -39.2743 15.5894 156.019 -59.1277 30.4627 -63.5859 -275.326 PRESSAVG: 4969400 29.1568 7.09382 3.01268 7.09391 74.6279 -43.3306 3.01266 -43.3306 -100.662 GPRESSAVG: 4969400 27.8116 6.56317 2.07227 7.00815 74.4298 -41.0291 3.34796 -44.1471 -98.7827 TIMING: 4969400 CPU: 14918.3, 0.0029358/step Wall: 14918.3, 0.0029358/step, 0.0249543 hours remaining, 209.710938 MB of memory in use. ENERGY: 4969400 716.8083 2033.6421 1924.3271 114.5380 -206174.4205 17748.0932 0.0000 0.0000 34262.6414 -149374.3705 299.2242 -183637.0119 -149274.9273 299.2928 -34.5101 -2.3670 557038.8746 1.0409 1.1529 PRESSURE: 4969600 44.006 -259.831 105.169 -259.83 377.405 -197.513 105.169 -197.512 -46.309 GPRESSURE: 4969600 36.6793 -219.16 3.33645 -235.627 443.289 -105.068 97.9517 -249.754 -3.04447 PRESSAVG: 4969600 64.9866 -20.6804 27.7944 -20.6804 30.4366 -44.4887 27.7943 -44.4887 -30.5747 GPRESSAVG: 4969600 65.3753 -19.4794 27.991 -21.1549 31.0074 -45.9507 26.9948 -43.5003 -31.1294 TIMING: 4969600 CPU: 14918.9, 0.00297563/step Wall: 14918.9, 0.00297563/step, 0.0251275 hours remaining, 209.710938 MB of memory in use. ENERGY: 4969600 711.6306 2073.9538 1951.9973 114.3797 -206225.8137 17904.1641 0.0000 0.0000 34208.2872 -149261.4011 298.7495 -183469.6883 -149158.0190 299.3878 125.0339 158.9745 556447.4125 21.6162 21.7511 PRESSURE: 4969800 -5.09527 24.7069 39.1988 24.708 8.83012 52.081 39.1982 52.083 -68.5191 GPRESSURE: 4969800 48.6441 -1.63582 19.9514 -47.3994 -49.1322 57.1546 34.3211 55.6305 17.8325 PRESSAVG: 4969800 41.0707 29.1512 10.421 29.1512 2.42192 -59.8667 10.421 -59.8669 -20.2174 GPRESSAVG: 4969800 42.204 29.6285 10.8735 28.6006 1.44286 -59.5076 10.6928 -59.8223 -20.0603 TIMING: 4969800 CPU: 14919.5, 0.0029815/step Wall: 14919.5, 0.0029815/step, 0.0250115 hours remaining, 209.710938 MB of memory in use. ENERGY: 4969800 735.7850 2106.9414 1923.2714 115.9491 -206601.4485 17951.5654 0.0000 0.0000 34348.9308 -149419.0053 299.9778 -183767.9362 -149323.4248 298.6498 -21.5947 5.7815 558891.1343 7.7584 7.8622 PRESSURE: 4970000 133.486 30.1971 114.058 30.1981 111.485 27.2324 114.058 27.2313 43.4233 GPRESSURE: 4970000 182.497 -27.0981 221.973 -42.8843 108.329 2.61547 -33.8983 71.1373 104.367 PRESSAVG: 4970000 22.5167 -14.7628 -25.304 -14.7627 -77.1578 5.57047 -25.3041 5.57058 56.3993 GPRESSAVG: 4970000 21.1893 -15.3085 -25.2804 -14.1815 -77.6418 6.07016 -25.7145 7.57435 58.0943 TIMING: 4970000 CPU: 14920.1, 0.00298939/step Wall: 14920.1, 0.00298939/step, 0.0249116 hours remaining, 209.710938 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: 4970000 716.3822 2094.5238 1925.7277 111.4116 -206633.7908 18010.5463 0.0000 0.0000 34405.5709 -149369.6283 300.4724 -183775.1992 -149273.4941 299.3562 96.1316 131.7310 557025.1993 0.5860 0.5473 PRESSURE: 4970200 -36.3954 -126.291 -90.9498 -126.291 -89.6044 153.854 -90.9504 153.854 -236.092 GPRESSURE: 4970200 12.6766 -87.6094 -95.8504 -130.676 -46.5004 125.12 -111.294 170.273 -229.642 PRESSAVG: 4970200 -45.0636 -40.8379 -18.2484 -40.8378 9.47946 -1.07403 -18.2484 -1.07396 5.13062 GPRESSAVG: 4970200 -44.2815 -40.6007 -18.6227 -40.7864 10.1329 -1.45236 -15.7231 -2.74941 3.05033 TIMING: 4970200 CPU: 14920.7, 0.0029874/step Wall: 14920.7, 0.0029874/step, 0.024729 hours remaining, 209.710938 MB of memory in use. ENERGY: 4970200 767.6889 2133.6309 1930.1268 114.3534 -206294.9591 17789.5299 0.0000 0.0000 34284.6458 -149274.9834 299.4163 -183559.6292 -149173.6498 299.6543 -120.6971 -87.8220 556736.6843 -10.1512 -10.3661 PRESSURE: 4970400 -50.2481 52.2782 36.5456 52.2776 -121.877 -120.417 36.5466 -120.416 39.5658 GPRESSURE: 4970400 -23.1173 117.706 109.475 88.149 -86.6636 -94.5881 -2.84868 -108.932 57.8721 PRESSAVG: 4970400 41.3065 18.8785 -20.0052 18.8786 18.1252 -26.9308 -20.0051 -26.9307 -62.2702 GPRESSAVG: 4970400 40.6178 17.6436 -20.5404 17.6765 18.6157 -27.1227 -24.5872 -27.817 -61.665 TIMING: 4970400 CPU: 14921.3, 0.00295805/step Wall: 14921.3, 0.00295805/step, 0.0243218 hours remaining, 209.710938 MB of memory in use. ENERGY: 4970400 719.4459 2164.0340 1930.2292 113.0949 -206173.0415 17815.1891 0.0000 0.0000 34201.9873 -149229.0611 298.6945 -183431.0484 -149139.2174 299.7960 -44.1866 -17.3029 558767.2659 -0.9462 -0.8105 PRESSURE: 4970600 -146.485 71.0618 -16.6964 71.0627 -162.17 6.74648 -16.6975 6.74602 -33.5107 GPRESSURE: 4970600 -85.1385 77.2878 -23.7443 75.7874 -144.946 -43.782 22.0568 -7.98032 -14.6895 PRESSAVG: 4970600 20.7611 16.6788 -12.6126 16.6788 6.17367 -12.435 -12.6126 -12.435 -10.8422 GPRESSAVG: 4970600 19.8328 17.6099 -11.6926 18.3234 6.44694 -12.0502 -11.7585 -12.4459 -10.7001 TIMING: 4970600 CPU: 14921.9, 0.0029691/step Wall: 14921.9, 0.0029691/step, 0.0242476 hours remaining, 209.710938 MB of memory in use. ENERGY: 4970600 734.1861 2149.4863 1935.1167 126.9038 -205911.1395 17617.0993 0.0000 0.0000 34168.8145 -149179.5329 298.4048 -183348.3474 -149085.1006 299.0787 -114.0552 -81.5912 559033.1395 5.3642 5.1932 PRESSURE: 4970800 -96.7148 -46.1064 0.0160103 -46.1042 -39.5367 -170.486 0.0162712 -170.486 -147.617 GPRESSURE: 4970800 9.1765 -93.1374 -65.2277 67.9342 -60.2814 -197.764 27.3036 -223.843 -133.126 PRESSAVG: 4970800 29.8743 -18.4769 -22.8309 -18.4769 -73.7111 11.8158 -22.8309 11.8159 -10.107 GPRESSAVG: 4970800 29.6999 -20.2934 -22.6154 -19.0773 -75.0818 10.9218 -21.5886 12.5844 -8.77006 TIMING: 4970800 CPU: 14922.5, 0.00296651/step Wall: 14922.5, 0.00296651/step, 0.0240617 hours remaining, 209.710938 MB of memory in use. ENERGY: 4970800 746.8301 2048.2856 1931.0205 110.7350 -206001.5362 17714.4500 0.0000 0.0000 34272.7950 -149177.4201 299.3128 -183450.2151 -149072.6172 299.4168 -94.6228 -61.4104 557727.8203 -17.9813 -18.0507 PRESSURE: 4971000 -67.2924 -109.029 -114.822 -109.028 95.462 -102.782 -114.821 -102.781 14.1058 GPRESSURE: 4971000 -21.0789 -114.199 -80.4306 -125.792 170.487 -96.2764 -78.8568 -86.0665 -4.90395 PRESSAVG: 4971000 20.8674 -20.0939 -5.16914 -20.094 49.1205 5.10779 -5.16912 5.10782 -34.9515 GPRESSAVG: 4971000 22.1501 -15.8529 -4.79686 -20.8044 49.7595 2.61246 -4.01065 5.61202 -36.7311 TIMING: 4971000 CPU: 14923.1, 0.00297113/step Wall: 14923.1, 0.00297113/step, 0.0239341 hours remaining, 209.710938 MB of memory in use. ENERGY: 4971000 685.1251 2076.5671 1962.8120 103.7399 -206150.2684 17751.1142 0.0000 0.0000 34491.6474 -149079.2626 301.2241 -183570.9100 -148982.3262 299.2454 14.0918 48.1679 558162.0931 11.6788 11.7261 PRESSURE: 4971200 118.7 1.13386 99.7263 1.13349 320.038 118.443 99.7259 118.443 -58.7249 GPRESSURE: 4971200 116.348 -13.9205 174.411 24.2567 363.115 97.8087 2.97197 127.605 -10.3938 PRESSAVG: 4971200 14.5585 -2.55824 9.71982 -2.55821 14.7117 1.16789 9.71977 1.16796 -24.2372 GPRESSAVG: 4971200 13.6912 -6.09516 8.9421 0.966395 14.7489 3.42573 8.84343 0.640401 -23.7771 TIMING: 4971200 CPU: 14923.6, 0.00296585/step Wall: 14923.6, 0.00296585/step, 0.0237268 hours remaining, 209.710938 MB of memory in use. ENERGY: 4971200 758.6400 2133.1639 1957.5013 117.6132 -206062.6168 17924.2104 0.0000 0.0000 34038.3444 -149133.1436 297.2653 -183171.4880 -149044.5022 299.4372 126.6710 156.3563 558589.3852 1.6777 1.5543 PRESSURE: 4971400 -17.5623 88.2847 96.2783 88.2856 40.8781 242.483 96.2784 242.482 137.541 GPRESSURE: 4971400 1.88774 119.153 172.203 62.6699 92.0992 318.18 41.2319 128.21 168.026 PRESSAVG: 4971400 6.87838 35.2737 -4.09187 35.2738 0.312016 -13.9082 -4.09186 -13.9082 -35.6934 GPRESSAVG: 4971400 6.56612 36.8321 -2.06773 32.267 0.773802 -11.9615 -5.41426 -13.037 -35.6856 TIMING: 4971400 CPU: 14924.2, 0.00297697/step Wall: 14924.2, 0.00297697/step, 0.0236504 hours remaining, 209.710938 MB of memory in use. ENERGY: 4971400 739.9850 2156.1439 1922.1449 121.6060 -206302.1344 17813.4148 0.0000 0.0000 34454.8637 -149093.9761 300.9029 -183548.8398 -148994.6211 299.6857 53.6189 87.3378 557962.1916 -9.5010 -9.4485 PRESSURE: 4971600 -109.385 -192.992 35.1641 -192.992 -166.311 -21.9027 35.1629 -21.9037 -137.697 GPRESSURE: 4971600 -52.8642 -142.332 106.942 -143.058 -126.905 -20.7307 41.0517 -40.7938 -135.367 PRESSAVG: 4971600 -37.945 36.5301 32.9558 36.5301 3.74141 18.684 32.9558 18.684 50.0861 GPRESSAVG: 4971600 -38.8348 35.8926 31.1937 36.8038 4.59136 13.378 35.7108 18.6948 50.1508 TIMING: 4971600 CPU: 14924.8, 0.00297555/step Wall: 14924.8, 0.00297555/step, 0.0234737 hours remaining, 209.710938 MB of memory in use. ENERGY: 4971600 745.5523 2114.7765 1935.8950 104.2143 -206342.3754 17898.6436 0.0000 0.0000 34309.2297 -149234.0640 299.6310 -183543.2937 -149138.7246 299.6324 -137.7976 -105.0456 558687.7286 5.2942 5.3024 PRESSURE: 4971800 -240.399 20.6555 44.6788 20.6565 -8.8976 102.124 44.6797 102.125 -185.288 GPRESSURE: 4971800 -189.09 -19.6742 7.75412 -2.81204 29.0817 122.4 75.1437 88.0626 -176.22 PRESSAVG: 4971800 -62.662 3.30919 -0.612425 3.30923 -61.7324 -6.89724 -0.612332 -6.89726 62.6792 GPRESSAVG: 4971800 -61.6974 2.4725 -0.981643 4.2546 -63.1029 -3.16949 -1.81287 -8.00399 63.5674 TIMING: 4971800 CPU: 14925.4, 0.00297122/step Wall: 14925.4, 0.00297122/step, 0.0232746 hours remaining, 209.710938 MB of memory in use. ENERGY: 4971800 711.5872 2130.9610 1958.4874 110.2768 -205945.2176 17662.2578 0.0000 0.0000 34048.1002 -149323.5471 297.3505 -183371.6473 -149223.2271 298.9547 -144.8617 -112.0759 559399.3284 -20.5717 -20.4110 PRESSURE: 4972000 -421.848 24.7064 -76.3046 24.7059 -114.492 102.66 -76.3042 102.661 -160.382 GPRESSURE: 4972000 -393.705 56.4874 -78.3502 -32.2825 -81.0648 126.487 -99.4961 57.4022 -120.458 PRESSAVG: 4972000 -25.8863 -66.8666 30.5224 -66.8666 -12.3581 36.3731 30.5224 36.3731 51.9402 GPRESSAVG: 4972000 -27.4216 -66.6583 28.8833 -66.9042 -10.5121 35.0056 29.8466 36.8267 51.2351 TIMING: 4972000 CPU: 14926, 0.00299482/step Wall: 14926, 0.00299482/step, 0.023293 hours remaining, 209.710938 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: 4972000 783.4948 2132.0988 1963.7452 110.4601 -206704.4858 17792.1633 0.0000 0.0000 34459.5160 -149463.0076 300.9435 -183922.5236 -149365.6404 299.2577 -232.2406 -198.4094 558805.3559 4.5653 4.4338 PRESSURE: 4972200 -19.4741 136.727 -42.12 136.726 -85.5159 -0.776746 -42.1204 -0.775982 -18.7981 GPRESSURE: 4972200 20.0468 184.437 14.8015 45.6162 -71.1212 -29.8232 -77.7935 124.652 20.6744 PRESSAVG: 4972200 -69.062 -24.5998 1.51197 -24.5999 48.2727 22.0103 1.51207 22.0104 51.0057 GPRESSAVG: 4972200 -68.99 -23.3036 3.93339 -26.7185 48.6485 22.7877 1.6363 21.6333 50.9254 TIMING: 4972200 CPU: 14926.6, 0.00297249/step Wall: 14926.6, 0.00297249/step, 0.0229542 hours remaining, 209.710938 MB of memory in use. ENERGY: 4972200 739.4680 2108.1793 1924.8419 116.1483 -206354.8010 17845.7690 0.0000 0.0000 34284.9424 -149335.4521 299.4189 -183620.3945 -149242.6511 299.0127 -41.2627 -10.1333 558696.5781 10.0721 10.1946 LDB: ============= START OF LOAD BALANCING ============== 14930.1 LDB: ============== END OF LOAD BALANCING =============== 14930.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14930.1 LDB: ============= START OF LOAD BALANCING ============== 14930.4 LDB: Largest compute 4796 load 0.027320 is 23.1% of average load 0.118182 LDB: Average compute 0.001728 is 1.5% of average load 0.118182 LDB: TIME 14930.4 LOAD: AVG 0.118182 MAX 0.21082 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.746 MB LDB: TIME 14930.4 LOAD: AVG 0.118182 MAX 0.21082 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.762 MB LDB: TIME 14930.4 LOAD: AVG 0.118182 MAX 0.21082 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.762 MB LDB: ============== END OF LOAD BALANCING =============== 14930.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14930.4 PRESSURE: 4972400 -88.534 -88.9496 -45.6218 -88.9488 -157.942 33.6422 -45.621 33.6442 -82.868 GPRESSURE: 4972400 -65.4197 -102.499 -82.9465 -37.9566 -188.841 -123.211 -25.0211 3.28718 21.6004 PRESSAVG: 4972400 -37.7765 43.5888 -51.6253 43.5888 18.7672 -24.4384 -51.6253 -24.4384 41.7176 GPRESSAVG: 4972400 -36.0556 42.4711 -53.3013 45.2119 16.3923 -24.4126 -49.8528 -25.0985 42.3006 TIMING: 4972400 CPU: 14927.2, 0.00302604/step Wall: 14927.2, 0.00302604/step, 0.0231996 hours remaining, 208.781250 MB of memory in use. ENERGY: 4972400 716.8914 2052.2625 1930.1830 110.4817 -206115.6587 17551.1041 0.0000 0.0000 34363.1234 -149391.6126 300.1017 -183754.7360 -149288.6924 299.4564 -109.7813 -77.5534 557636.1301 7.5694 7.5458 PRESSURE: 4972600 -121.505 122.026 -99.4798 122.027 53.9609 131.24 -99.4795 131.239 187.033 GPRESSURE: 4972600 -86.9265 97.8118 -116.368 87.5381 111.251 104.034 -38.2851 188.28 182.852 PRESSAVG: 4972600 -46.8919 -16.49 15.4886 -16.4901 -44.0532 -31.635 15.4886 -31.635 107.672 GPRESSAVG: 4972600 -48.4667 -15.8325 15.6547 -17.9637 -41.9188 -33.7569 12.8204 -30.4931 106.942 TIMING: 4972600 CPU: 14927.8, 0.0029815/step Wall: 14927.8, 0.0029815/step, 0.0226925 hours remaining, 208.781250 MB of memory in use. ENERGY: 4972600 742.9320 2051.4494 1913.2239 124.5644 -206215.3553 17909.7946 0.0000 0.0000 34205.1836 -149268.2073 298.7224 -183473.3909 -149176.2351 298.8447 39.8297 69.0589 558557.1132 5.5756 5.5189 PRESSURE: 4972800 -67.5613 -16.9314 106.511 -16.9311 6.05902 -235.633 106.512 -235.632 32.7954 GPRESSURE: 4972800 -98.7319 -9.65046 122.536 86.7231 91.0117 -251.512 69.349 -237.51 64.4417 PRESSAVG: 4972800 4.83532 -43.3217 -1.15466 -43.3217 -15.5694 -18.8543 -1.15462 -18.8543 56.53 GPRESSAVG: 4972800 6.8152 -44.438 -0.496489 -41.7479 -17.1966 -16.3935 -2.32292 -21.0016 56.0904 TIMING: 4972800 CPU: 14928.4, 0.00298954/step Wall: 14928.4, 0.00298954/step, 0.0225876 hours remaining, 208.781250 MB of memory in use. ENERGY: 4972800 794.9110 2029.7024 1926.3443 109.2026 -206253.7830 17910.4136 0.0000 0.0000 34292.0991 -149191.1100 299.4814 -183483.2091 -149100.5893 298.9419 -9.5690 18.9072 558339.2739 15.2653 15.2363 PRESSURE: 4973000 -65.5733 -123.093 -46.3732 -123.093 -130.201 46.2451 -46.373 46.2441 -312.963 GPRESSURE: 4973000 -45.2886 -110.387 -18.7517 -169.514 -173.697 44.1132 -52.1354 -14.8146 -202.425 PRESSAVG: 4973000 20.3844 -7.03088 -14.2857 -7.03097 1.28024 -40.7913 -14.2857 -40.7914 -28.166 GPRESSAVG: 4973000 18.3969 -7.19901 -11.884 -7.90261 3.22352 -40.8207 -14.0722 -39.5541 -28.2648 TIMING: 4973000 CPU: 14929, 0.00301079/step Wall: 14929, 0.00301079/step, 0.0225809 hours remaining, 208.781250 MB of memory in use. ENERGY: 4973000 754.1926 2112.8543 1918.3738 102.6734 -206086.6039 17719.5445 0.0000 0.0000 34232.4863 -149246.4791 298.9608 -183478.9654 -149156.0733 298.8372 -169.5792 -140.4703 559942.9898 -2.1671 -2.2148 PRESSURE: 4973200 76.8176 -155.077 62.1281 -155.076 30.925 -372.939 62.1284 -372.938 113.674 GPRESSURE: 4973200 162.965 -131.098 77.2094 -79.3974 54.1574 -273.228 25.6618 -429.423 108.727 PRESSAVG: 4973200 -13.2514 -4.01736 16.3746 -4.01736 -25.2498 -3.8289 16.3746 -3.829 30.9946 GPRESSAVG: 4973200 -11.8814 -2.77127 14.3968 -2.74977 -27.2157 -5.60924 15.0091 -3.01712 31.9327 TIMING: 4973200 CPU: 14929.6, 0.00298404/step Wall: 14929.6, 0.00298404/step, 0.0222145 hours remaining, 208.781250 MB of memory in use. ENERGY: 4973200 755.5696 2096.2525 1926.6654 105.7246 -206279.7238 17979.6480 0.0000 0.0000 34233.3576 -149182.5061 298.9684 -183415.8637 -149094.7444 299.5173 73.8056 108.6165 559158.2899 -2.5022 -2.3881 PRESSURE: 4973400 -2.61241 78.9256 37.8511 78.925 316.813 -61.9437 37.8513 -61.9435 62.5579 GPRESSURE: 4973400 45.6836 149.772 67.3271 -58.0931 364.246 -41.4966 -0.102744 -104.79 64.3264 PRESSAVG: 4973400 -27.5117 -1.48234 -41.1285 -1.48235 -16.0286 -4.26524 -41.1285 -4.26526 12.5542 GPRESSAVG: 4973400 -27.2169 -3.07219 -41.6305 -1.50075 -15.5538 -2.03685 -38.1563 -3.0811 11.6077 TIMING: 4973400 CPU: 14930.2, 0.00297132/step Wall: 14930.2, 0.00297132/step, 0.0219548 hours remaining, 208.781250 MB of memory in use. ENERGY: 4973400 713.9549 2110.7000 1920.4850 119.6701 -206290.1158 18086.4166 0.0000 0.0000 34020.3160 -149318.5731 297.1079 -183338.8891 -149220.7409 298.6087 125.5861 158.0854 558610.8649 -10.3287 -10.3877 PRESSURE: 4973600 -2.55153 165.089 132.391 165.09 380.412 100.104 132.392 100.104 100.338 GPRESSURE: 4973600 69.7924 94.5536 123.085 160.478 376.238 226.56 74.6755 112.379 131.274 PRESSAVG: 4973600 -46.2878 61.8804 -14.8744 61.8804 50.9406 -8.97434 -14.8745 -8.97432 11.222 GPRESSAVG: 4973600 -45.6116 61.5015 -12.7168 60.7655 50.5195 -10.8058 -15.9785 -9.47976 10.7683 TIMING: 4973600 CPU: 14930.8, 0.00295599/step Wall: 14930.8, 0.00295599/step, 0.0216773 hours remaining, 208.781250 MB of memory in use. ENERGY: 4973600 757.4380 2075.2214 1940.7962 116.2699 -206645.6668 17998.9003 0.0000 0.0000 34365.3622 -149391.6789 300.1213 -183757.0411 -149292.7675 298.3089 159.3994 192.4348 555773.7487 5.2916 5.2254 PRESSURE: 4973800 0.645701 10.1446 69.4883 10.1451 284.244 -17.2732 69.4884 -17.2732 119.807 GPRESSURE: 4973800 43.8585 -4.07133 34.2443 41.3581 319.383 6.89732 -14.1576 -75.7091 139.995 PRESSAVG: 4973800 0.729793 -18.8823 45.5909 -18.8822 -33.9041 -32.4644 45.5908 -32.4643 -33.3071 GPRESSAVG: 4973800 -0.0448699 -17.769 44.8872 -20.6562 -34.3041 -31.9638 46.1164 -33.078 -32.1232 TIMING: 4973800 CPU: 14931.4, 0.00295262/step Wall: 14931.4, 0.00295262/step, 0.0214885 hours remaining, 208.781250 MB of memory in use. ENERGY: 4973800 732.2193 2085.3870 1941.6930 116.5615 -206305.6897 18043.2670 0.0000 0.0000 34087.2169 -149299.3450 297.6921 -183386.5619 -149206.5123 299.1642 134.8988 167.7456 557720.0834 -22.1605 -22.1574 PRESSURE: 4974000 358.945 -60.5975 116.028 -60.5991 -64.0019 -107.898 116.029 -107.898 313.054 GPRESSURE: 4974000 470.406 -102.906 100.661 -42.5015 -47.3453 -84.548 92.4099 -150.171 282.745 PRESSAVG: 4974000 -9.3561 16.466 37.176 16.4661 53.7953 18.0526 37.1759 18.0525 -41.9791 GPRESSAVG: 4974000 -10.1036 15.9314 36.0417 18.1348 55.3651 18.374 37.3802 18.4329 -42.8752 TIMING: 4974000 CPU: 14932, 0.00296972/step Wall: 14932, 0.00296972/step, 0.021448 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: 4974000 680.9975 2108.6620 1920.9997 117.9772 -206705.3325 18098.7145 0.0000 0.0000 34365.3332 -149412.6485 300.1210 -183777.9817 -149314.6027 298.9470 202.6657 235.2684 556574.6361 0.8200 0.7954 PRESSURE: 4974200 198.364 -182.989 -76.7422 -182.989 -105.582 -53.6352 -76.7438 -53.635 -194.495 GPRESSURE: 4974200 209.648 -133.274 -104.392 -216.061 -51.2037 -97.2612 -45.4951 -74.6114 -166.235 PRESSAVG: 4974200 57.3854 6.38136 21.4148 6.38122 -20.7761 63.5866 21.4147 63.5865 -29.3801 GPRESSAVG: 4974200 57.9191 5.85598 23.5994 6.58024 -21.5469 64.6852 21.0589 62.0938 -29.3946 TIMING: 4974200 CPU: 14932.6, 0.00295525/step Wall: 14932.6, 0.00295525/step, 0.0211793 hours remaining, 208.781250 MB of memory in use. ENERGY: 4974200 711.4094 2123.3917 1933.9710 113.8931 -205906.6014 17658.7950 0.0000 0.0000 34125.0511 -149240.0902 298.0226 -183365.1413 -149138.0239 299.1704 -33.9041 -2.5971 557810.0541 2.4097 2.3259 PRESSURE: 4974400 131.404 -64.6026 76.7676 -64.602 100.822 -132.26 76.7673 -132.258 101.513 GPRESSURE: 4974400 172.167 -72.5581 107.703 2.50403 71.3473 -118.672 51.3404 -86.3658 188.689 PRESSAVG: 4974400 36.6795 18.9036 11.0978 18.9036 -42.8326 -21.1927 11.0977 -21.1928 7.72017 GPRESSAVG: 4974400 36.7413 19.9348 9.7564 18.2818 -42.6946 -23.606 11.1333 -18.0335 7.25288 TIMING: 4974400 CPU: 14933.2, 0.00299581/step Wall: 14933.2, 0.00299581/step, 0.0213036 hours remaining, 208.781250 MB of memory in use. ENERGY: 4974400 709.6874 2102.5656 1928.6622 110.6449 -206190.5027 17813.9374 0.0000 0.0000 34220.8394 -149304.1658 298.8591 -183525.0053 -149211.9085 299.3240 111.2464 144.0679 557323.2409 0.5224 0.4332 PRESSURE: 4974600 -55.5794 -67.198 -75.768 -67.1979 -131.239 -6.51061 -75.7675 -6.51174 143.009 GPRESSURE: 4974600 -17.2275 -91.2384 -78.8266 -15.9491 -55.2562 0.620106 -79.2584 -20.5329 139.619 PRESSAVG: 4974600 81.9896 21.2197 79.0817 21.2197 -72.9985 -19.5873 79.0817 -19.5872 -7.08714 GPRESSAVG: 4974600 81.2706 20.306 78.4144 21.5616 -73.3717 -20.1883 79.711 -20.693 -6.88794 TIMING: 4974600 CPU: 14933.8, 0.00296305/step Wall: 14933.8, 0.00296305/step, 0.020906 hours remaining, 208.781250 MB of memory in use. ENERGY: 4974600 743.7905 2025.8647 1958.5653 118.0165 -206418.2479 17837.7071 0.0000 0.0000 34371.7260 -149362.5779 300.1768 -183734.3039 -149262.9641 299.6862 -14.6032 22.3785 557595.1191 0.6347 0.3370 PRESSURE: 4974800 -232.272 -101.318 114.087 -101.317 -173.083 176.35 114.087 176.349 -154.96 GPRESSURE: 4974800 -158.56 -105.914 226.837 -28.4217 -112.971 124.126 74.3613 153.129 -180.853 PRESSAVG: 4974800 -73.0518 -1.36933 18.502 -1.3692 87.6675 32.8449 18.502 32.8449 -24.5009 GPRESSAVG: 4974800 -73.1735 -0.803243 20.5861 -1.44372 88.0884 34.4109 20.2463 31.4896 -25.0375 TIMING: 4974800 CPU: 14934.4, 0.00294578/step Wall: 14934.4, 0.00294578/step, 0.0206205 hours remaining, 208.781250 MB of memory in use. ENERGY: 4974800 781.7731 2135.7138 1900.7308 104.7818 -206261.0883 17629.2000 0.0000 0.0000 34445.4214 -149263.4674 300.8204 -183708.8888 -149163.4456 299.0792 -186.7720 -150.7947 556839.4390 -3.2950 -3.3742 PRESSURE: 4975000 -347.412 -31.7208 12.5918 -31.7209 2.80357 73.1495 12.5924 73.1512 97.4673 GPRESSURE: 4975000 -297.346 -56.0006 117.63 -23.4357 56.8172 39.1597 12.4273 26.5882 91.6692 PRESSAVG: 4975000 -85.9468 2.9035 56.1748 2.90354 17.4046 0.483799 56.1748 0.48382 23.7506 GPRESSAVG: 4975000 -84.6057 3.546 55.396 4.69123 16.2907 0.883159 54.6546 -0.805896 23.7666 TIMING: 4975000 CPU: 14935, 0.00296052/step Wall: 14935, 0.00296052/step, 0.0205592 hours remaining, 208.781250 MB of memory in use. ENERGY: 4975000 735.5781 2081.8226 1937.8541 107.6410 -206165.0258 17727.6860 0.0000 0.0000 34231.2957 -149343.1484 298.9504 -183574.4440 -149241.3611 299.2001 -82.3803 -49.6197 557915.9907 -14.9305 -14.8495 PRESSURE: 4975200 -246.88 23.4022 -177.784 23.4026 -61.5182 34.3933 -177.783 34.3935 -96.0739 GPRESSURE: 4975200 -263.975 74.3871 -162.063 -42.7465 30.4654 22.628 -223.185 58.7103 -66.0642 PRESSAVG: 4975200 -98.1318 32.6116 14.2425 32.6117 66.2246 15.549 14.2425 15.549 41.7362 GPRESSAVG: 4975200 -97.9019 32.6682 13.0984 30.4803 66.0308 14.0186 15.9703 14.254 42.1492 TIMING: 4975200 CPU: 14935.5, 0.00294503/step Wall: 14935.5, 0.00294503/step, 0.020288 hours remaining, 208.781250 MB of memory in use. ENERGY: 4975200 772.1636 2140.1037 1909.7576 122.5452 -206008.9992 17531.2890 0.0000 0.0000 34237.1040 -149296.0361 299.0011 -183533.1401 -149200.2197 298.6557 -134.8239 -99.8579 557125.2712 3.2763 3.4260 PRESSURE: 4975400 -17.4236 23.563 -31.6209 23.5633 51.0471 67.0879 -31.6212 67.0895 38.4091 GPRESSURE: 4975400 -8.62193 -64.7353 -70.3902 58.8393 129.66 127.635 -13.4884 51.5661 51.1751 PRESSAVG: 4975400 -22.4716 -6.26854 -31.0633 -6.26854 58.4463 -55.7838 -31.0633 -55.7838 -14.5493 GPRESSAVG: 4975400 -23.3058 -8.50652 -31.4795 -4.62216 59.3691 -55.1021 -31.9105 -52.629 -14.8 TIMING: 4975400 CPU: 14936.1, 0.00294392/step Wall: 14936.1, 0.00294392/step, 0.0201168 hours remaining, 208.847656 MB of memory in use. ENERGY: 4975400 748.2322 2088.2893 1920.8888 92.0293 -205983.1046 17617.5223 0.0000 0.0000 34297.1180 -149219.0247 299.5253 -183516.1427 -149120.0234 299.3924 24.0109 57.4045 556736.2398 7.1418 7.0877 PRESSURE: 4975600 11.9359 86.3389 -31.2461 86.3386 59.0495 39.1267 -31.2468 39.1271 -266.935 GPRESSURE: 4975600 41.1421 81.6848 -59.3009 145.606 132.277 -44.0252 -64.4749 51.5914 -262.578 PRESSAVG: 4975600 -20.8953 26.1751 -40.9695 26.175 90.8064 1.29257 -40.9695 1.2924 -90.1022 GPRESSAVG: 4975600 -21.4068 26.3207 -40.7553 27.1167 91.0403 0.257121 -40.6403 0.546254 -90.2037 TIMING: 4975600 CPU: 14936.7, 0.00293626/step Wall: 14936.7, 0.00293626/step, 0.0199013 hours remaining, 208.847656 MB of memory in use. ENERGY: 4975600 791.9307 2087.7923 1926.5741 103.9040 -206255.7396 17779.6647 0.0000 0.0000 34246.4977 -149319.3761 299.0832 -183565.8737 -149225.7539 299.2452 -65.3165 -29.7197 557945.8585 -6.7303 -6.8567 PRESSURE: 4975800 -280.073 -221.651 91.4023 -221.65 46.5376 104.929 91.4029 104.93 -361.592 GPRESSURE: 4975800 -325.565 -200.506 98.4551 -216.796 105.478 69.7535 170.645 111.472 -269.2 PRESSAVG: 4975800 -38.5943 -30.4369 12.341 -30.4369 68.2069 72.3222 12.341 72.3223 -11.7279 GPRESSAVG: 4975800 -38.5371 -28.6621 13.2342 -31.3994 67.7241 70.841 10.3893 73.0837 -11.6955 TIMING: 4975800 CPU: 14937.3, 0.00297594/step Wall: 14937.3, 0.00297594/step, 0.0200049 hours remaining, 208.847656 MB of memory in use. ENERGY: 4975800 754.2056 2121.9848 1920.6221 117.3474 -205598.0370 17410.1172 0.0000 0.0000 34203.2200 -149070.5400 298.7052 -183273.7600 -148969.4438 299.5616 -198.3760 -163.0956 558795.1174 5.9616 5.8305 PRESSURE: 4976000 -119.36 72.0037 -50.6718 72.005 -266.142 205.351 -50.6692 205.351 -475.39 GPRESSURE: 4976000 -90.2046 5.40411 -98.9127 107.736 -189.825 240.491 11.0411 215.762 -492.173 PRESSAVG: 4976000 -9.55313 -32.8199 10.5021 -32.8199 32.6891 -22.6782 10.502 -22.6782 -20.7845 GPRESSAVG: 4976000 -8.39406 -32.0747 11.0781 -33.218 31.4671 -19.0223 9.51952 -25.1172 -20.9542 TIMING: 4976000 CPU: 14937.9, 0.00299039/step Wall: 14937.9, 0.00299039/step, 0.0199359 hours remaining, 208.847656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4976000 774.4171 2094.4285 1951.3946 118.0396 -205636.3064 17528.4876 0.0000 0.0000 34164.1845 -149005.3545 298.3643 -183169.5390 -148914.1826 299.9618 -286.9638 -257.4007 558325.5783 0.7838 0.7063 PRESSURE: 4976200 -96.2763 169.651 -1.49097 169.651 -33.7555 -131.578 -1.49037 -131.58 133.255 GPRESSURE: 4976200 -90.987 174.742 45.8906 229.077 -16.4469 -112.497 -36.2125 -109.33 214.184 PRESSAVG: 4976200 -36.133 37.6227 23.6141 37.6228 36.9601 15.0296 23.6141 15.0295 -28.1672 GPRESSAVG: 4976200 -37.3747 35.5266 24.6356 37.1215 38.9463 14.2242 26.4587 16.3588 -29.0211 TIMING: 4976200 CPU: 14938.5, 0.00295127/step Wall: 14938.5, 0.00295127/step, 0.0195112 hours remaining, 208.847656 MB of memory in use. ENERGY: 4976200 724.4672 2085.2809 1950.1148 113.1246 -206105.0611 17765.4236 0.0000 0.0000 34244.8604 -149221.7896 299.0689 -183466.6500 -149122.6039 299.9540 1.0745 35.5832 556221.9151 -9.1134 -9.1498 LDB: ============= START OF LOAD BALANCING ============== 14942 LDB: ============== END OF LOAD BALANCING =============== 14942 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14942 LDB: ============= START OF LOAD BALANCING ============== 14942.3 LDB: Largest compute 4796 load 0.029438 is 24.9% of average load 0.118184 LDB: Average compute 0.001732 is 1.5% of average load 0.118184 LDB: TIME 14942.3 LOAD: AVG 0.118184 MAX 0.211718 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.547 MB LDB: TIME 14942.3 LOAD: AVG 0.118184 MAX 0.211718 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.785 MB LDB: TIME 14942.3 LOAD: AVG 0.118184 MAX 0.211718 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.785 MB LDB: ============== END OF LOAD BALANCING =============== 14942.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14942.3 PRESSURE: 4976400 257.791 -46.1151 4.89695 -46.1159 151.88 -44.1797 4.89634 -44.1795 -95.9715 GPRESSURE: 4976400 281.508 -118.115 -7.98888 -51.8713 169.758 35.0646 -45.749 -59.8065 -46.1313 PRESSAVG: 4976400 -18.7364 -0.932219 46.1596 -0.932265 28.9801 -0.173481 46.1597 -0.173361 -12.8461 GPRESSAVG: 4976400 -18.1093 -0.927167 43.3042 -1.07122 28.7089 -0.500078 45.9518 1.59423 -13.4053 TIMING: 4976400 CPU: 14939.1, 0.00301429/step Wall: 14939.1, 0.00301429/step, 0.0197603 hours remaining, 210.449219 MB of memory in use. ENERGY: 4976400 801.3494 2088.0322 1941.2984 108.3103 -206376.4170 17842.2588 0.0000 0.0000 34450.7597 -149144.4082 300.8671 -183595.1679 -149047.3600 299.3416 104.5667 135.0449 556090.0690 -0.8674 -0.9353 PRESSURE: 4976600 171.533 44.8721 24.2687 44.8735 -132.8 -53.1 24.2687 -53.099 83.4433 GPRESSURE: 4976600 214.21 72.5066 -47.8558 85.3241 -103.128 -133.172 52.8008 -11.0153 115.868 PRESSAVG: 4976600 18.5309 -2.71589 22.2809 -2.71592 53.7045 -34.3891 22.2808 -34.389 -1.54572 GPRESSAVG: 4976600 18.3804 -2.45012 23.2929 -0.943244 54.6144 -34.8185 22.3859 -34.6831 -2.13362 TIMING: 4976600 CPU: 14939.7, 0.00297736/step Wall: 14939.7, 0.00297736/step, 0.0193528 hours remaining, 210.449219 MB of memory in use. ENERGY: 4976600 731.9438 2100.6293 1928.7232 126.7665 -206339.3360 17904.1621 0.0000 0.0000 34228.8936 -149318.2176 298.9294 -183547.1112 -149226.0829 299.4100 40.7255 75.6498 555554.6725 23.5632 23.6204 PRESSURE: 4976800 186.296 4.6866 19.8113 4.68602 9.05065 27.2832 19.8117 27.2847 -136.719 GPRESSURE: 4976800 206.327 31.3176 87.4055 -21.868 56.3602 -3.55915 5.88831 -15.7955 -104.338 PRESSAVG: 4976800 -29.3904 7.73998 -9.05805 7.74008 33.4637 -26.4388 -9.05798 -26.439 -1.18171 GPRESSAVG: 4976800 -29.3219 8.10161 -6.28524 6.39181 31.5077 -25.0205 -11.4239 -30.0801 0.76815 TIMING: 4976800 CPU: 14940.3, 0.00300497/step Wall: 14940.3, 0.00300497/step, 0.0193654 hours remaining, 210.449219 MB of memory in use. ENERGY: 4976800 745.6202 2134.2035 1903.9774 108.3161 -206024.1087 17800.6435 0.0000 0.0000 34143.9469 -149187.4010 298.1876 -183331.3479 -149089.8163 299.2389 19.5425 52.7830 558150.4721 0.9639 0.9847 PRESSURE: 4977000 -85.5019 97.855 14.5264 97.8536 -35.8228 -114.501 14.5259 -114.501 -34.2417 GPRESSURE: 4977000 -25.2001 144.6 -30.4113 117.963 -47.012 -43.7521 -3.27943 -127.891 22.0438 PRESSAVG: 4977000 -70.0999 -12.4836 13.4721 -12.4837 61.0236 2.63641 13.4721 2.63651 25.6273 GPRESSAVG: 4977000 -70.9082 -13.718 11.0133 -11.3003 61.2181 1.20901 14.7303 5.76769 26.0393 TIMING: 4977000 CPU: 14940.9, 0.00299063/step Wall: 14940.9, 0.00299063/step, 0.0191068 hours remaining, 210.449219 MB of memory in use. ENERGY: 4977000 733.3220 2094.9752 1931.0552 108.6960 -206103.1933 17588.3223 0.0000 0.0000 34323.9458 -149322.8768 299.7596 -183646.8226 -149224.0511 299.4603 -51.8555 -16.7228 557766.7330 5.5170 5.4497 PRESSURE: 4977200 238.118 -182.572 4.90814 -182.572 -28.8553 77.1359 4.90767 77.1366 -136.845 GPRESSURE: 4977200 238.088 -176.198 10.4132 -224.428 30.5002 109.898 69.7938 44.1537 -107.883 PRESSAVG: 4977200 34.8096 -5.30984 37.464 -5.30978 -47.9981 -6.30178 37.464 -6.30173 -54.7002 GPRESSAVG: 4977200 36.2441 -3.64474 37.0117 -7.09201 -47.6987 -6.37064 38.3891 -4.03852 -56.5054 TIMING: 4977200 CPU: 14941.5, 0.00297975/step Wall: 14941.5, 0.00297975/step, 0.0188717 hours remaining, 210.449219 MB of memory in use. ENERGY: 4977200 783.2505 2112.7369 1935.2882 107.8893 -206616.7307 18016.5085 0.0000 0.0000 34202.7188 -149458.3385 298.7009 -183661.0573 -149363.6904 298.8646 24.1394 53.5685 556998.6632 -22.6295 -22.6534 PRESSURE: 4977400 -327.722 -15.3821 -196.552 -15.3814 -158.194 93.1325 -196.553 93.1333 -306.19 GPRESSURE: 4977400 -277.247 -152.421 -121.392 60.5589 -237.954 61.3997 -175.84 31.0335 -174.405 PRESSAVG: 4977400 89.5483 -54.3049 22.0549 -54.3047 -24.1453 37.8674 22.0549 37.8674 -44.4592 GPRESSAVG: 4977400 89.4588 -56.9452 22.7661 -51.679 -24.6157 38.1654 20.893 35.0981 -43.7411 TIMING: 4977400 CPU: 14942.1, 0.00298911/step Wall: 14942.1, 0.00298911/step, 0.018765 hours remaining, 210.449219 MB of memory in use. ENERGY: 4977400 708.9868 2122.0460 1923.8306 118.5955 -205953.3401 17573.7777 0.0000 0.0000 34081.2351 -149424.8684 297.6399 -183506.1036 -149331.9254 298.8088 -264.0353 -229.8688 558885.3889 6.9813 7.0340 PRESSURE: 4977600 360.065 16.2867 33.4937 16.2868 305.328 29.217 33.4916 29.2163 -31.5821 GPRESSURE: 4977600 384.78 59.1211 -1.10294 -21.2089 347.843 89.894 -6.12535 -37.2165 -13.8853 PRESSAVG: 4977600 -8.48812 -7.60418 -58.9218 -7.60418 36.4173 80.3897 -58.9217 80.3897 -4.72427 GPRESSAVG: 4977600 -9.05645 -6.65619 -56.0564 -9.2996 38.1159 78.8319 -60.8411 80.8357 -5.63077 TIMING: 4977600 CPU: 14942.7, 0.00298426/step Wall: 14942.7, 0.00298426/step, 0.0185687 hours remaining, 210.449219 MB of memory in use. ENERGY: 4977600 729.2051 2106.1599 1915.4589 108.0423 -206692.8285 18145.9557 0.0000 0.0000 34196.8589 -149491.1478 298.6497 -183688.0066 -149393.3758 298.2362 211.2706 239.5790 556874.8984 7.7350 7.8096 PRESSURE: 4977800 -18.8062 -42.542 58.8787 -42.5424 -126.176 55.494 58.8796 55.4938 -63.5154 GPRESSURE: 4977800 25.7022 55.8805 139.341 -115.775 -108.428 60.3834 -25.3513 73.8845 -17.4432 PRESSAVG: 4977800 28.5635 -20.6453 -34.0655 -20.6452 -24.5918 38.617 -34.0655 38.617 -11.2684 GPRESSAVG: 4977800 28.7146 -19.4441 -35.4943 -21.3685 -25.8642 38.2426 -34.9694 39.8385 -10.1668 TIMING: 4977800 CPU: 14943.3, 0.00297854/step Wall: 14943.3, 0.00297854/step, 0.0183677 hours remaining, 210.789062 MB of memory in use. ENERGY: 4977800 768.6538 2074.2335 1935.5454 113.7878 -206042.4383 17691.7859 0.0000 0.0000 34025.4771 -149432.9548 297.1530 -183458.4320 -149340.8564 298.5835 -69.4993 -33.3898 558267.8992 -2.4322 -2.4388 PRESSURE: 4978000 73.9934 77.1966 12.8992 77.1971 -120.747 -70.5892 12.8981 -70.5904 -180.113 GPRESSURE: 4978000 158.576 80.3305 19.1809 86.3498 -102.703 -12.293 -26.0454 21.675 -185.699 PRESSAVG: 4978000 42.4489 -10.9586 -26.1443 -10.9585 4.67527 29.3148 -26.1443 29.3149 -25.3047 GPRESSAVG: 4978000 42.1355 -9.41858 -27.1309 -9.90294 4.07884 31.4225 -24.0781 28.0474 -25.0366 TIMING: 4978000 CPU: 14943.9, 0.00297468/step Wall: 14943.9, 0.00297468/step, 0.0181786 hours remaining, 210.789062 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: 4978000 760.9239 2098.3476 1935.2393 111.3005 -206204.3249 17689.6381 0.0000 0.0000 34091.8836 -149516.9919 297.7329 -183608.8755 -149422.4906 298.8468 -75.6222 -43.2752 555948.8408 7.2731 7.0592 PRESSURE: 4978200 -176.401 -31.5118 -155.128 -31.5127 120.069 -5.63598 -155.129 -5.63688 -370.986 GPRESSURE: 4978200 -69.3128 41.0839 -34.2426 -72.5704 116.749 -41.3043 -127.504 -80.0005 -389.712 PRESSAVG: 4978200 0.548227 -8.57421 24.638 -8.57415 31.5104 8.19056 24.6379 8.19058 -17.0808 GPRESSAVG: 4978200 0.881119 -8.69176 26.2683 -9.54411 32.1833 8.99457 23.6269 8.45252 -17.8854 TIMING: 4978200 CPU: 14944.5, 0.00297741/step Wall: 14944.5, 0.00297741/step, 0.0180299 hours remaining, 210.789062 MB of memory in use. ENERGY: 4978200 718.7174 2043.4517 1970.2987 111.2848 -205576.6515 17248.0386 0.0000 0.0000 33932.2909 -149552.5694 296.3391 -183484.8603 -149446.4987 298.1028 -142.4393 -114.0918 556172.3845 4.9926 5.0597 PRESSURE: 4978400 -146.808 -79.0612 -148.268 -79.0609 -147.937 7.68969 -148.268 7.69031 -162.895 GPRESSURE: 4978400 -142.779 -9.4207 -56.0522 -100.409 -89.2132 12.729 -204.548 13.4435 -133.467 PRESSAVG: 4978400 29.9475 9.89521 1.24199 9.89521 -16.0023 -58.6374 1.24193 -58.6375 -0.6455 GPRESSAVG: 4978400 30.7956 11.0562 0.124797 10.3509 -16.2172 -61.1766 1.76519 -58.1801 -0.775592 TIMING: 4978400 CPU: 14945.1, 0.00298578/step Wall: 14945.1, 0.00298578/step, 0.0179147 hours remaining, 210.789062 MB of memory in use. ENERGY: 4978400 754.3578 2111.8476 1954.6747 106.4199 -206599.5165 17783.6648 0.0000 0.0000 34139.9125 -149748.6392 298.1523 -183888.5517 -149655.1400 298.1895 -152.5468 -121.8196 557576.8252 4.4333 4.6009 PRESSURE: 4978600 40.0133 -14.1258 -100.454 -14.1251 -41.0765 -94.8801 -100.454 -94.8812 -139.221 GPRESSURE: 4978600 39.9309 -102.721 -90.4197 97.2333 -12.766 -97.7891 -31.878 -157.813 -73.3225 PRESSAVG: 4978600 43.0868 -40.9317 -18.1531 -40.9318 -44.9877 -27.5812 -18.1531 -27.5811 23.1188 GPRESSAVG: 4978600 43.08 -43.8953 -18.6524 -40.3629 -44.9455 -26.6291 -17.1809 -26.6513 23.552 TIMING: 4978600 CPU: 14945.7, 0.00304303/step Wall: 14945.7, 0.00304303/step, 0.0180891 hours remaining, 210.789062 MB of memory in use. ENERGY: 4978600 731.5759 2080.8544 1957.2143 114.2071 -206453.1636 17979.0865 0.0000 0.0000 34069.3822 -149520.8433 297.5364 -183590.2255 -149420.9502 298.0660 -46.7614 -15.3859 557426.2745 7.0726 7.2288 PRESSURE: 4978800 191.078 -78.8335 138.059 -78.8336 -152.439 46.1345 138.06 46.1342 224.035 GPRESSURE: 4978800 309.926 -66.7392 66.7905 -22.6014 -151.931 -12.3988 130.745 67.5125 192.224 PRESSAVG: 4978800 66.4044 -46.3422 14.0046 -46.3422 -66.5748 22.4034 14.0046 22.4034 19.3625 GPRESSAVG: 4978800 66.0759 -45.3216 13.8135 -47.9379 -65.7458 23.8763 14.1624 19.4214 18.8447 TIMING: 4978800 CPU: 14946.3, 0.00304755/step Wall: 14946.3, 0.00304755/step, 0.0179467 hours remaining, 210.789062 MB of memory in use. ENERGY: 4978800 712.6285 2050.1990 1956.5117 117.3433 -206503.9420 18045.7019 0.0000 0.0000 34047.5451 -149574.0124 297.3457 -183621.5575 -149476.9916 298.1813 87.5580 116.7399 556934.8044 6.3973 6.3916 PRESSURE: 4979000 156.677 31.2663 47.8584 31.2669 6.08091 130.761 47.8575 130.762 -106.483 GPRESSURE: 4979000 142.348 51.1771 30.406 36.9789 65.6717 201.244 15.1814 59.9469 -67.1735 PRESSAVG: 4979000 5.73368 -17.1463 34.6403 -17.1463 -85.8838 15.1674 34.6404 15.1674 48.7278 GPRESSAVG: 4979000 6.25739 -17.153 32.6652 -17.1489 -86.7879 13.4862 34.1322 15.3394 49.3827 TIMING: 4979000 CPU: 14946.9, 0.00306429/step Wall: 14946.9, 0.00306429/step, 0.017875 hours remaining, 210.789062 MB of memory in use. ENERGY: 4979000 753.5359 2097.3098 1940.7744 105.0841 -206541.7416 18010.3967 0.0000 0.0000 34078.3149 -149556.3258 297.6144 -183634.6407 -149456.1700 298.2598 18.7585 46.9488 558239.9016 -10.4741 -10.3826 PRESSURE: 4979200 -351.436 -80.0632 -21.7105 -80.0629 -53.3066 -53.0929 -21.7106 -53.0939 -120.389 GPRESSURE: 4979200 -353.204 -83.1254 16.4068 -165.795 36.9164 -45.5216 -86.5958 -45.3628 -116.598 PRESSAVG: 4979200 -75.0156 -35.9162 43.1263 -35.9161 -12.8331 28.8028 43.1263 28.8029 65.9076 GPRESSAVG: 4979200 -75.1393 -36.9814 45.301 -34.2856 -12.3241 30.9669 44.1475 29.0113 66.2612 TIMING: 4979200 CPU: 14947.5, 0.00300742/step Wall: 14947.5, 0.00300742/step, 0.0173762 hours remaining, 210.789062 MB of memory in use. ENERGY: 4979200 708.8008 2087.9585 1941.9323 109.6400 -206612.6233 17790.1413 0.0000 0.0000 34156.3963 -149817.7541 298.2963 -183974.1505 -149725.6120 298.4272 -175.0440 -144.2951 558457.6484 -7.3137 -7.0674 PRESSURE: 4979400 -56.4736 -71.8858 -113.852 -71.8848 -153.68 -46.4097 -113.851 -46.4102 395.598 GPRESSURE: 4979400 9.92278 15.8438 -168.299 -139.102 -154.922 -37.7597 -83.4126 -79.2667 433.645 PRESSAVG: 4979400 28.289 -34.6318 41.3459 -34.6319 -19.7072 19.7078 41.3459 19.7078 29.6599 GPRESSAVG: 4979400 29.8739 -32.8782 40.0418 -36.0501 -21.1769 19.2383 40.2375 18.8752 29.8538 TIMING: 4979400 CPU: 14948.1, 0.00304388/step Wall: 14948.1, 0.00304388/step, 0.0174177 hours remaining, 210.789062 MB of memory in use. ENERGY: 4979400 743.6568 2029.0049 1948.0757 109.7096 -206837.0163 18087.2598 0.0000 0.0000 33870.7848 -150048.5246 295.8020 -183919.3093 -149952.7963 297.2762 61.8151 96.2150 557177.8878 12.7472 12.8503 PRESSURE: 4979600 68.2562 40.0904 74.8949 40.0914 196.156 92.9344 74.8949 92.9342 20.927 GPRESSURE: 4979600 129.129 24.0804 117.224 -0.652414 254.622 53.3798 97.9542 129.746 -6.53966 PRESSAVG: 4979600 43.678 -0.74652 86.8377 -0.746438 -19.6912 -18.7786 86.8377 -18.7787 -22.1091 GPRESSAVG: 4979600 41.6913 -2.18158 87.6462 -1.33248 -18.0102 -19.3147 88.2863 -16.6921 -22.0188 TIMING: 4979600 CPU: 14948.7, 0.00299811/step Wall: 14948.7, 0.00299811/step, 0.0169893 hours remaining, 210.789062 MB of memory in use. ENERGY: 4979600 726.4005 2040.4167 1909.8132 114.8936 -206715.1988 17913.7919 0.0000 0.0000 34195.5556 -149814.3271 298.6383 -184009.8827 -149717.7468 297.2623 95.1132 125.7373 557222.5265 0.6259 0.5541 PRESSURE: 4979800 47.4579 -21.8675 84.0037 -21.8682 -23.0644 -62.1614 84.0035 -62.16 -135.138 GPRESSURE: 4979800 58.2603 -50.9005 95.2611 -46.7596 64.3968 -1.48496 27.8841 -78.2391 -137.329 PRESSAVG: 4979800 64.4351 3.79303 36.4942 3.79307 0.926326 -6.65728 36.4943 -6.65728 -30.6364 GPRESSAVG: 4979800 65.4657 3.7364 35.2104 4.73815 0.753906 -5.48679 34.9819 -6.88165 -30.9402 TIMING: 4979800 CPU: 14949.3, 0.00297981/step Wall: 14949.3, 0.00297981/step, 0.0167201 hours remaining, 210.789062 MB of memory in use. ENERGY: 4979800 711.8466 2020.4032 1947.4218 103.4419 -206862.9419 17929.7320 0.0000 0.0000 34161.5479 -149988.5485 298.3413 -184150.0964 -149899.8525 296.9281 -36.9148 -4.8908 556472.5040 11.5750 11.7598 PRESSURE: 4980000 48.0393 -34.1126 131.545 -34.1109 104.703 5.64372 131.545 5.64175 4.18539 GPRESSURE: 4980000 32.1951 -39.8678 174.022 -47.178 156.456 25.7502 145.186 22.3463 59.4974 PRESSAVG: 4980000 5.28562 -13.1077 47.7379 -13.1077 40.6452 22.7835 47.7379 22.7836 -40.3659 GPRESSAVG: 4980000 5.21873 -11.1175 48.7972 -15.0038 39.9367 21.3563 48.4829 21.8408 -39.9261 TIMING: 4980000 CPU: 14949.9, 0.00295467/step Wall: 14949.9, 0.00295467/step, 0.0164148 hours remaining, 210.789062 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: 4980000 737.7027 2043.3320 1943.0846 104.9271 -206813.3885 18178.0043 0.0000 0.0000 33989.6891 -149816.6488 296.8404 -183806.3379 -149719.2285 297.5557 52.3092 82.7162 557884.3400 1.8550 1.7431 PRESSURE: 4980200 -8.00468 -83.4007 -195.932 -83.4015 103.414 48.4552 -195.932 48.4557 16.7507 GPRESSURE: 4980200 13.0878 -26.5849 -118.162 -20.4335 189.692 -37.9605 -143.149 147.803 12.536 PRESSAVG: 4980200 -40.4487 13.2177 98.3744 13.2177 -13.1219 -45.045 98.3744 -45.045 -35.7475 GPRESSAVG: 4980200 -40.8169 12.0243 99.0006 13.4661 -12.9096 -45.0314 97.3167 -43.1361 -35.5829 TIMING: 4980200 CPU: 14950.5, 0.00297725/step Wall: 14950.5, 0.00297725/step, 0.0163749 hours remaining, 210.789062 MB of memory in use. ENERGY: 4980200 733.1110 2032.6606 1916.0850 118.8382 -206569.7778 17997.3416 0.0000 0.0000 34138.1606 -149633.5808 298.1370 -183771.7414 -149540.7889 297.5835 37.3865 71.7719 557707.3143 -29.7727 -29.7698 LDB: ============= START OF LOAD BALANCING ============== 14954 LDB: ============== END OF LOAD BALANCING =============== 14954 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14954 LDB: ============= START OF LOAD BALANCING ============== 14954.3 LDB: Largest compute 4796 load 0.028845 is 24.4% of average load 0.118250 LDB: Average compute 0.001732 is 1.5% of average load 0.118250 LDB: TIME 14954.3 LOAD: AVG 0.11825 MAX 0.21149 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.234 MB LDB: TIME 14954.3 LOAD: AVG 0.11825 MAX 0.21149 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.234 MB LDB: TIME 14954.3 LOAD: AVG 0.11825 MAX 0.21149 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.234 MB LDB: ============== END OF LOAD BALANCING =============== 14954.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14954.3 PRESSURE: 4980400 -80.8244 30.3793 -25.0181 30.3796 -229.535 113.803 -25.0195 113.803 68.7306 GPRESSURE: 4980400 -75.968 88.9922 54.1168 21.9762 -205.206 174.636 -122.269 99.9475 144.502 PRESSAVG: 4980400 22.7133 43.2535 1.16882 43.2535 -30.2653 36.8147 1.16879 36.8147 4.70761 GPRESSAVG: 4980400 22.8331 44.4523 1.511 43.9473 -30.3825 37.3994 -0.274267 35.4639 5.18072 TIMING: 4980400 CPU: 14951.1, 0.0030238/step Wall: 14951.1, 0.0030238/step, 0.0164629 hours remaining, 207.953125 MB of memory in use. ENERGY: 4980400 729.6893 2065.4323 1927.8164 105.0108 -206497.2077 17701.5044 0.0000 0.0000 34258.5558 -149709.1987 299.1885 -183967.7545 -149613.1773 298.0288 -80.5430 -45.5574 555870.9152 -0.9481 -0.7896 PRESSURE: 4980600 -476.791 -100.289 66.8061 -100.289 -248.3 -182.966 66.8058 -182.967 -45.2699 GPRESSURE: 4980600 -386.592 -106.361 70.6802 -109.269 -254.612 -202.111 73.6142 -107.097 -33.3032 PRESSAVG: 4980600 62.3595 -32.1078 0.779351 -32.1078 -51.4235 -13.5773 0.779384 -13.5773 -14.1139 GPRESSAVG: 4980600 63.5308 -32.8437 0.0775921 -31.3745 -51.9869 -13.6243 0.276019 -13.9749 -14.9321 TIMING: 4980600 CPU: 14951.7, 0.0029747/step Wall: 14951.7, 0.0029747/step, 0.0160303 hours remaining, 208.156250 MB of memory in use. ENERGY: 4980600 732.7445 2086.8698 1922.5334 118.8659 -206173.9042 17541.6764 0.0000 0.0000 34154.2763 -149616.9380 298.2778 -183771.2142 -149519.8172 298.5681 -256.7868 -224.8358 558179.8066 -1.0593 -1.1294 PRESSURE: 4980800 354.483 85.4461 47.262 85.4469 6.80291 -64.0241 47.2619 -64.0235 49.6834 GPRESSURE: 4980800 382.46 65.5117 75.8856 109.981 75.6224 -62.7868 63.5331 -29.9077 52.2038 PRESSAVG: 4980800 -10.5544 -21.3609 39.139 -21.361 9.9569 -37.4489 39.139 -37.449 -2.60723 GPRESSAVG: 4980800 -10.816 -22.3481 38.6396 -21.2271 10.5371 -37.0161 42.5658 -36.6958 -2.45951 TIMING: 4980800 CPU: 14952.3, 0.00299358/step Wall: 14952.3, 0.00299358/step, 0.0159657 hours remaining, 208.156250 MB of memory in use. ENERGY: 4980800 734.8655 2037.6018 1940.6756 99.9175 -206564.3453 18104.9076 0.0000 0.0000 33987.5678 -149658.8096 296.8219 -183646.3773 -149563.4986 298.6069 136.9897 170.0954 557774.1499 -1.0682 -0.9128 PRESSURE: 4981000 -74.9815 128.748 119.858 128.75 -276.511 25.7889 119.858 25.7896 -193.692 GPRESSURE: 4981000 -34.465 79.8188 115.162 106.955 -249.523 9.24697 69.6538 83.6268 -171.915 PRESSAVG: 4981000 41.6324 -65.1714 10.1056 -65.1714 -4.39372 9.28339 10.1056 9.28345 -42.4384 GPRESSAVG: 4981000 41.1592 -64.2738 8.41893 -66.0468 -3.54573 11.6702 9.62007 9.09637 -42.8205 TIMING: 4981000 CPU: 14952.9, 0.0029706/step Wall: 14952.9, 0.0029706/step, 0.0156782 hours remaining, 208.156250 MB of memory in use. ENERGY: 4981000 744.8605 2030.5810 1925.9534 117.3808 -206399.1916 17727.3553 0.0000 0.0000 34171.0976 -149681.9630 298.4247 -183853.0607 -149579.1250 298.3970 -181.7282 -151.9676 559628.4873 -1.7333 -1.7357 PRESSURE: 4981200 69.1917 100.518 26.4241 100.517 -231.503 71.4268 26.4249 71.4262 105.427 GPRESSURE: 4981200 50.5169 90.9477 55.4286 117.03 -166.826 48.5696 -6.38636 178.766 149.547 PRESSAVG: 4981200 -24.6608 67.2489 17.9775 67.249 -8.37721 0.469895 17.9774 0.469713 47.7223 GPRESSAVG: 4981200 -25.4284 67.959 18.741 67.9299 -8.28523 -0.937404 18.8467 -0.928134 48.1043 TIMING: 4981200 CPU: 14953.5, 0.0029578/step Wall: 14953.5, 0.0029578/step, 0.0154463 hours remaining, 208.156250 MB of memory in use. ENERGY: 4981200 746.6733 2036.3691 1927.9627 112.7914 -206244.9005 17715.9142 0.0000 0.0000 34051.6115 -149653.5784 297.3812 -183705.1899 -149550.8533 298.1512 -18.9612 11.0792 558366.3536 4.8948 4.7969 PRESSURE: 4981400 -172.976 50.4797 -36.7311 50.4784 -167.975 -22.6229 -36.7307 -22.6227 -55.3113 GPRESSURE: 4981400 -108.699 2.73013 -131.06 84.7412 -161 -49.6517 9.0946 2.96552 -24.5115 PRESSAVG: 4981400 -0.85263 11.9019 -0.862881 11.9018 -17.2376 -28.1004 -0.862823 -28.1005 -16.8401 GPRESSAVG: 4981400 -0.67826 12.3176 0.0167903 11.3947 -17.8174 -28.8716 -2.24544 -26.4477 -16.1009 TIMING: 4981400 CPU: 14954.1, 0.00299995/step Wall: 14954.1, 0.00299995/step, 0.0154997 hours remaining, 208.156250 MB of memory in use. ENERGY: 4981400 777.3881 2116.7201 1944.2662 117.9272 -206431.9774 17746.5265 0.0000 0.0000 34164.2222 -149564.9271 298.3646 -183729.1493 -149475.5928 298.2616 -132.0876 -98.0701 558254.0842 -11.6435 -11.5322 PRESSURE: 4981600 249.785 7.6528 -35.5629 7.65213 58.6661 155.897 -35.5616 155.897 242.73 GPRESSURE: 4981600 275.135 -10.5022 49.9905 25.7715 111.675 168.466 -87.5662 98.6209 262.656 PRESSAVG: 4981600 -16.9259 46.5026 6.69638 46.5025 -7.52442 -28.2826 6.69632 -28.2827 12.9966 GPRESSAVG: 4981600 -16.0972 46.7028 5.5164 47.573 -7.65413 -28.0095 6.51569 -30.2591 12.4352 TIMING: 4981600 CPU: 14954.7, 0.00296758/step Wall: 14954.7, 0.00296758/step, 0.0151676 hours remaining, 208.156250 MB of memory in use. ENERGY: 4981600 738.3147 2132.4643 1954.8988 112.1763 -207080.7942 18137.6902 0.0000 0.0000 34330.5958 -149674.6541 299.8176 -184005.2499 -149580.3594 298.0778 183.7271 216.4886 556433.2400 -3.8179 -3.7720 PRESSURE: 4981800 -39.9782 -230.171 -53.0898 -230.172 -85.0419 -26.8166 -53.0894 -26.8171 34.7391 GPRESSURE: 4981800 54.7017 -214.572 -36.54 -225.065 -107.428 -89.3765 5.90782 25.9305 71.1619 PRESSAVG: 4981800 38.1717 -14.8393 -30.7745 -14.8393 -95.8614 33.2261 -30.7745 33.2261 92.769 GPRESSAVG: 4981800 38.4837 -17.9205 -30.8543 -14.3124 -96.4098 32.0047 -29.4255 33.7342 93.4312 TIMING: 4981800 CPU: 14955.3, 0.00297313/step Wall: 14955.3, 0.00297313/step, 0.0150308 hours remaining, 208.156250 MB of memory in use. ENERGY: 4981800 726.2579 2036.4905 1951.5694 114.9447 -206516.1934 17689.8028 0.0000 0.0000 34360.5934 -149636.5346 300.0796 -183997.1280 -149535.2734 298.5046 -30.0937 6.1454 556808.2562 11.6931 11.8350 PRESSURE: 4982000 -3.99134 17.3387 -58.1881 17.3389 -18.9649 79.4348 -58.1889 79.4364 -248.886 GPRESSURE: 4982000 51.3059 -17.0039 -81.2565 52.6092 3.09683 83.0543 -37.5019 79.291 -207.648 PRESSAVG: 4982000 96.3723 -48.5231 -88.7492 -48.5231 -78.37 38.6915 -88.7492 38.6916 -7.84696 GPRESSAVG: 4982000 96.0076 -46.1374 -92.121 -49.7121 -77.5601 41.2129 -89.9317 39.076 -7.97076 TIMING: 4982000 CPU: 14955.9, 0.00298004/step Wall: 14955.9, 0.00298004/step, 0.0149002 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: 4982000 776.3232 2086.9842 1918.9654 122.2356 -206450.0693 17803.1451 0.0000 0.0000 34045.1651 -149697.2507 297.3249 -183742.4159 -149602.7128 298.2215 -90.6141 -51.0819 557563.4280 3.3851 3.4923 PRESSURE: 4982200 -327.913 52.0243 101.335 52.0232 -238.265 40.6943 101.335 40.6943 -326.026 GPRESSURE: 4982200 -282.568 42.7167 95.9149 64.3113 -182.56 74.8675 91.8082 66.2553 -333.625 PRESSAVG: 4982200 -43.455 -40.8225 -25.7774 -40.8225 25.2751 -16.9673 -25.7775 -16.9674 17.9578 GPRESSAVG: 4982200 -43.6401 -41.3693 -21.6548 -38.26 25.202 -19.7359 -25.6388 -15.6925 18.7505 TIMING: 4982200 CPU: 14956.5, 0.00301049/step Wall: 14956.5, 0.00301049/step, 0.0148852 hours remaining, 208.156250 MB of memory in use. ENERGY: 4982200 770.5309 2070.5099 1953.1011 119.2515 -206104.2757 17389.3716 0.0000 0.0000 34065.3444 -149736.1661 297.5011 -183801.5106 -149638.5436 297.7625 -297.4011 -266.2509 558972.4010 -0.0740 0.1041 PRESSURE: 4982400 140 109.374 -2.47819 109.373 -218.65 84.0104 -2.47934 84.0103 84.7186 GPRESSURE: 4982400 190.54 69.8541 47.2416 114.198 -133.322 137.612 -39.0931 130.733 40.6382 PRESSAVG: 4982400 -25.2946 -13.3663 -39.0635 -13.3663 25.9259 8.66126 -39.0636 8.66136 39.5528 GPRESSAVG: 4982400 -25.5544 -13.8422 -38.8379 -13.9162 25.7369 10.7727 -39.0876 5.26606 40.0941 TIMING: 4982400 CPU: 14957.1, 0.0029826/step Wall: 14957.1, 0.0029826/step, 0.0145816 hours remaining, 208.156250 MB of memory in use. ENERGY: 4982400 740.6542 2106.4991 1943.3221 109.3931 -206760.6773 17873.2376 0.0000 0.0000 34135.4103 -149852.1609 298.1130 -183987.5712 -149753.9919 298.3777 2.0229 32.6187 555901.5268 13.3947 13.4255 PRESSURE: 4982600 222.942 65.717 155.368 65.7184 -19.2784 56.462 155.368 56.4648 217.159 GPRESSURE: 4982600 247.015 52.4189 205.851 105.134 61.7529 150.83 90.23 64.2709 206.557 PRESSAVG: 4982600 -6.65067 19.9586 4.04964 19.9586 16.041 58.1087 4.04968 58.1086 24.1443 GPRESSAVG: 4982600 -6.36865 19.685 1.83969 18.9732 15.9053 58.7477 5.70893 60.5284 24.5737 TIMING: 4982600 CPU: 14957.7, 0.00302231/step Wall: 14957.7, 0.00302231/step, 0.0146078 hours remaining, 208.156250 MB of memory in use. ENERGY: 4982600 719.1549 2094.6667 1945.2781 117.9773 -206878.0320 17978.7979 0.0000 0.0000 34205.2324 -149816.9247 298.7228 -184022.1571 -149717.7057 298.0375 140.2743 171.7750 554833.4390 11.1782 11.3701 PRESSURE: 4982800 16.3974 -23.2745 107.805 -23.2749 -149.051 75.0667 107.804 75.0664 103.055 GPRESSURE: 4982800 -41.6033 -18.9095 68.8323 -3.67442 -63.9121 36.6553 111.549 135.422 169.219 PRESSAVG: 4982800 -13.438 -56.6274 54.4635 -56.6273 -27.2797 48.6662 54.4633 48.6663 68.0207 GPRESSAVG: 4982800 -12.9029 -53.6009 55.5163 -57.7088 -28.3361 47.6172 51.1309 48.4818 67.9825 TIMING: 4982800 CPU: 14958.3, 0.00297866/step Wall: 14958.3, 0.00297866/step, 0.0142314 hours remaining, 208.156250 MB of memory in use. ENERGY: 4982800 743.8208 2111.4869 1935.6237 113.0313 -206868.2327 17898.8984 0.0000 0.0000 34173.7143 -149891.6572 298.4475 -184065.3716 -149802.7248 297.5310 -9.8664 21.2347 556719.1117 9.1010 8.9145 PRESSURE: 4983000 -96.4069 204.353 -93.9996 204.352 -231.536 -29.9871 -93.9987 -29.9875 54.2914 GPRESSURE: 4983000 -90.8534 184.372 -101.279 336.298 -177.314 2.42046 -67.2468 -15.6845 92.9442 PRESSAVG: 4983000 -13.0052 66.1486 -28.2207 66.1485 -10.2294 49.0198 -28.2208 49.0196 39.773 GPRESSAVG: 4983000 -13.5752 65.5618 -28.9987 65.7951 -7.96653 48.4405 -25.8523 49.6246 38.8811 TIMING: 4983000 CPU: 14958.9, 0.00297463/step Wall: 14958.9, 0.00297463/step, 0.0140469 hours remaining, 208.156250 MB of memory in use. ENERGY: 4983000 738.1508 2128.1077 1942.6996 109.5224 -206375.3979 17657.5845 0.0000 0.0000 33934.5516 -149864.7813 296.3589 -183799.3330 -149766.2819 297.1835 -91.2170 -58.4078 557500.7136 5.5128 5.7798 PRESSURE: 4983200 -211.634 140.099 92.9284 140.1 84.9562 39.989 92.9286 39.9889 -149.998 GPRESSURE: 4983200 -127.469 108.75 115.555 172.968 63.9173 -28.4145 109.414 115.156 -115.364 PRESSAVG: 4983200 19.2176 26.8467 22.7207 26.8466 -45.6443 28.4508 22.7207 28.4508 -21.1312 GPRESSAVG: 4983200 19.9152 25.4398 23.977 28.312 -47.6606 30.4597 20.3827 28.6021 -19.9668 TIMING: 4983200 CPU: 14959.5, 0.00298557/step Wall: 14959.5, 0.00298557/step, 0.0139327 hours remaining, 208.156250 MB of memory in use. ENERGY: 4983200 733.5632 2086.6608 1940.2035 109.9312 -206333.4850 17609.1659 0.0000 0.0000 34027.3279 -149826.6325 297.1691 -183853.9604 -149725.0459 296.6988 -92.2255 -59.6388 555418.8121 -15.8526 -15.9041 PRESSURE: 4983400 -71.6136 126.632 -65.6905 126.631 121.399 4.6676 -65.691 4.67005 -141.403 GPRESSURE: 4983400 8.12819 173.513 -61.9342 83.4457 136.222 48.4202 -81.947 41.5124 -149.16 PRESSAVG: 4983400 53.5271 55.0979 19.3545 55.0979 -31.1886 27.8083 19.3546 27.8082 16.3663 GPRESSAVG: 4983400 53.5202 53.3611 19.6176 57.1375 -30.6165 27.6541 19.8388 26.8528 15.4677 TIMING: 4983400 CPU: 14960.1, 0.00297825/step Wall: 14960.1, 0.00297825/step, 0.013733 hours remaining, 208.156250 MB of memory in use. ENERGY: 4983400 751.3070 2109.9325 1936.8750 103.8525 -206740.8432 17864.4066 0.0000 0.0000 34135.4941 -149838.9756 298.1138 -183974.4697 -149739.6986 298.2411 -30.5392 -1.6033 555130.1482 12.9016 12.7905 PRESSURE: 4983600 -189.858 153.486 3.09581 153.485 -292.108 145.516 3.0957 145.515 -138.885 GPRESSURE: 4983600 -209.201 139.233 -67.9529 157.175 -213.363 123.952 -6.25916 112.868 -76.6345 PRESSAVG: 4983600 -4.17189 0.692879 44.6452 0.69281 18.8542 6.94063 44.6453 6.9407 9.2479 GPRESSAVG: 4983600 -3.74973 0.350841 44.2558 0.517051 19.3258 6.49254 44.5078 7.00584 8.28494 TIMING: 4983600 CPU: 14960.7, 0.00297732/step Wall: 14960.7, 0.00297732/step, 0.0135633 hours remaining, 208.156250 MB of memory in use. ENERGY: 4983600 757.5104 2116.7443 1918.4106 112.8840 -206268.1822 17591.4913 0.0000 0.0000 33943.7687 -149827.3728 296.4394 -183771.1415 -149734.5679 297.7380 -206.9505 -166.3994 555800.6324 7.9767 7.9537 PRESSURE: 4983800 -148.268 68.9847 77.9509 68.9843 -266.35 202.784 77.9493 202.784 -69.7477 GPRESSURE: 4983800 -124.574 71.0075 37.9105 111.696 -214.454 212.298 82.7991 226.38 -43.2187 PRESSAVG: 4983800 -57.2692 9.7835 -27.6866 9.78344 5.25315 24.3389 -27.6866 24.3389 29.2009 GPRESSAVG: 4983800 -57.4874 10.3548 -27.742 8.5173 5.37855 25.6402 -27.0397 22.8025 29.1289 TIMING: 4983800 CPU: 14961.2, 0.00296224/step Wall: 14961.2, 0.00296224/step, 0.0133301 hours remaining, 208.156250 MB of memory in use. ENERGY: 4983800 760.3263 2107.4269 1949.5380 109.8194 -206278.1807 17389.5351 0.0000 0.0000 34124.2255 -149837.3094 298.0153 -183961.5350 -149747.2612 297.7710 -161.4554 -127.4155 556257.0550 -7.6050 -7.6600 PRESSURE: 4984000 -283.565 43.2974 29.7543 43.2965 -422.166 -166.512 29.7545 -166.511 -101.875 GPRESSURE: 4984000 -266.015 -44.2122 1.46155 145.094 -396.085 -126.731 -40.5047 -79.7686 -42.9978 PRESSAVG: 4984000 28.8775 2.07657 -25.3351 2.07656 -34.7513 68.8259 -25.3351 68.8258 60.5719 GPRESSAVG: 4984000 28.2075 2.94321 -26.5093 0.93356 -34.2926 69.2917 -23.04 69.7586 61.0094 TIMING: 4984000 CPU: 14961.8, 0.00296845/step Wall: 14961.8, 0.00296845/step, 0.0131931 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: 4984000 749.7960 2076.0925 1949.0431 113.1170 -206215.9621 17561.6904 0.0000 0.0000 34016.1975 -149750.0257 297.0719 -183766.2232 -149654.2726 297.2191 -269.2019 -235.0327 555949.1742 18.2327 18.3081 PRESSURE: 4984200 -275.193 -104.986 38.9461 -104.987 -11.9627 -80.0741 38.9468 -80.0736 -42.9673 GPRESSURE: 4984200 -243.653 -123.818 54.0247 -52.1795 30.1438 -130.456 -22.5882 -38.0047 -20.5865 PRESSAVG: 4984200 -43.8521 -30.9542 10.9492 -30.9542 -52.9617 18.6834 10.9493 18.6835 93.506 GPRESSAVG: 4984200 -44.1465 -31.3178 12.3578 -29.4939 -53.5153 17.1594 10.7957 19.2087 93.5919 TIMING: 4984200 CPU: 14962.4, 0.00296376/step Wall: 14962.4, 0.00296376/step, 0.0130076 hours remaining, 208.156250 MB of memory in use. ENERGY: 4984200 713.8764 2060.1831 1939.5532 123.9029 -206338.6026 17854.2611 0.0000 0.0000 34023.2797 -149623.5462 297.1338 -183646.8259 -149530.1064 298.0006 -110.0410 -78.0320 557733.2253 -1.1026 -1.3567 LDB: ============= START OF LOAD BALANCING ============== 14965.9 LDB: ============== END OF LOAD BALANCING =============== 14965.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14965.9 LDB: ============= START OF LOAD BALANCING ============== 14966.3 LDB: Largest compute 4796 load 0.028191 is 23.9% of average load 0.118197 LDB: Average compute 0.001728 is 1.5% of average load 0.118197 LDB: TIME 14966.3 LOAD: AVG 0.118197 MAX 0.215691 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.547 MB LDB: TIME 14966.3 LOAD: AVG 0.118197 MAX 0.215691 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 211.547 MB LDB: TIME 14966.3 LOAD: AVG 0.118197 MAX 0.215691 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 211.547 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14966.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14966.3 PRESSURE: 4984400 -123.217 -77.822 221.549 -77.8225 177.343 84.7425 221.552 84.7442 96.4084 GPRESSURE: 4984400 -77.0057 -120.137 171.85 -2.4372 218.824 100.617 196.047 115.765 102.379 PRESSAVG: 4984400 -55.8636 -69.6485 61.8406 -69.6485 -20.9888 36.0959 61.8406 36.0959 16.5728 GPRESSAVG: 4984400 -56.2154 -68.6165 60.21 -70.2432 -20.5622 37.1357 60.4273 36.0161 16.4816 TIMING: 4984400 CPU: 14963, 0.00307038/step Wall: 14963, 0.00307038/step, 0.013305 hours remaining, 209.390625 MB of memory in use. ENERGY: 4984400 731.7655 2124.9708 1935.7181 119.4735 -206468.4243 17956.6737 0.0000 0.0000 33972.8710 -149626.9516 296.6935 -183599.8226 -149535.3363 298.1145 50.1781 81.3991 558098.2485 -20.0932 -20.0987 PRESSURE: 4984600 -62.6851 85.099 14.5531 85.0979 132.209 80.4642 14.5536 80.4642 353.815 GPRESSURE: 4984600 -85.3246 47.5047 14.9361 70.0446 252.27 106.634 -27.1356 37.791 368.918 PRESSAVG: 4984600 -32.3561 -11.0414 18.233 -11.0414 45.5427 -13.8899 18.233 -13.8899 10.4161 GPRESSAVG: 4984600 -31.6023 -12.0753 20.6357 -11.1936 44.6311 -13.7361 17.1806 -13.8088 10.8402 TIMING: 4984600 CPU: 14963.6, 0.00298039/step Wall: 14963.6, 0.00298039/step, 0.0127494 hours remaining, 209.593750 MB of memory in use. ENERGY: 4984600 734.0290 2117.9295 1929.2705 111.0796 -206330.3087 17859.7643 0.0000 0.0000 34010.9681 -149567.2678 297.0262 -183578.2359 -149477.8318 297.8330 141.1129 178.6212 555068.7189 7.8676 7.9563 PRESSURE: 4984800 -11.1741 -3.32038 -98.4326 -3.31981 -61.2202 -10.8899 -98.433 -10.891 -95.9648 GPRESSURE: 4984800 -12.8121 -60.2044 -117.354 44.6233 38.4923 21.5198 -123.569 -4.98917 -102.111 PRESSAVG: 4984800 -39.0184 5.46255 -0.672181 5.46262 81.7353 -6.15565 -0.672211 -6.15573 -71.8863 GPRESSAVG: 4984800 -39.4229 6.71377 -2.66556 3.98918 82.2282 -5.66588 1.70592 -5.62213 -71.5667 TIMING: 4984800 CPU: 14964.2, 0.00299749/step Wall: 14964.2, 0.00299749/step, 0.0126561 hours remaining, 209.593750 MB of memory in use. ENERGY: 4984800 737.5513 2135.2742 1943.2472 108.1548 -205913.8472 17561.8563 0.0000 0.0000 33859.0489 -149568.7145 295.6995 -183427.7634 -149480.7723 297.9696 -56.1197 -25.4768 557224.7250 -9.7231 -9.5871 PRESSURE: 4985000 -289.662 41.2935 -45.8423 41.2931 -135.98 -67.3562 -45.8416 -67.3544 -225.335 GPRESSURE: 4985000 -232.297 30.8711 -41.9078 19.3867 -129.396 -64.5075 9.82385 -99.8889 -182.678 PRESSAVG: 4985000 -47.2202 -0.47156 34.6292 -0.47159 107.135 -19.0925 34.6293 -19.0925 -54.9291 GPRESSAVG: 4985000 -46.1356 0.339073 34.273 0.117285 106.717 -20.5832 35.9747 -18.7871 -55.5063 TIMING: 4985000 CPU: 14964.8, 0.00297498/step Wall: 14964.8, 0.00297498/step, 0.0123957 hours remaining, 209.843750 MB of memory in use. ENERGY: 4985000 746.9078 2058.1727 1910.3844 129.7275 -206015.9706 17622.9636 0.0000 0.0000 34147.5226 -149400.2920 298.2188 -183547.8146 -149311.2754 299.0967 -216.9923 -181.4568 558101.9524 1.6617 1.6918 PRESSURE: 4985200 100.87 72.4069 -12.244 72.4072 -1.56664 -65.7848 -12.2453 -65.7847 92.9926 GPRESSURE: 4985200 102.784 208.657 -21.6999 57.8255 27.4609 -17.0372 16.5629 -138.165 159.766 PRESSAVG: 4985200 -0.567594 12.8718 42.5437 12.8718 66.3751 -39.3034 42.5437 -39.3034 -39.5342 GPRESSAVG: 4985200 -0.698595 10.2165 44.1474 13.1311 66.6172 -40.4779 40.9081 -40.4461 -39.9006 TIMING: 4985200 CPU: 14965.4, 0.00298811/step Wall: 14965.4, 0.00298811/step, 0.0122844 hours remaining, 209.843750 MB of memory in use. ENERGY: 4985200 744.3852 2082.7049 1971.5198 110.6345 -206365.1423 17685.8842 0.0000 0.0000 34304.9351 -149465.0786 299.5935 -183770.0137 -149371.7992 299.7341 64.0988 96.6702 555051.3008 8.7578 8.6727 PRESSURE: 4985400 -59.0389 150.723 51.839 150.723 -77.6814 3.37882 51.839 3.37958 100.944 GPRESSURE: 4985400 -16.7713 90.0343 36.8985 216.634 -6.78988 -81.6881 4.63961 73.794 85.342 PRESSAVG: 4985400 30.8662 -28.262 4.22765 -28.2619 31.4639 9.55914 4.22758 9.55912 5.76853 GPRESSAVG: 4985400 31.0221 -26.3827 3.11242 -28.3896 32.0367 12.6947 4.50158 9.40363 5.24438 TIMING: 4985400 CPU: 14966, 0.00300999/step Wall: 14966, 0.00300999/step, 0.0122072 hours remaining, 209.843750 MB of memory in use. ENERGY: 4985400 751.8737 2053.8051 1903.9324 112.4147 -206084.3948 17861.8710 0.0000 0.0000 34187.0061 -149213.4918 298.5636 -183400.4979 -149112.9996 300.0710 -11.9253 20.5936 558243.3671 22.6995 22.7677 PRESSURE: 4985600 181.94 76.9865 -105.679 76.988 -115.737 101.062 -105.679 101.063 -10.37 GPRESSURE: 4985600 269.432 110.436 -24.3984 -60.2225 -130.42 118.912 -163.81 49.4374 5.10554 PRESSAVG: 4985600 -9.43244 15.7482 -8.76681 15.7481 -29.4126 46.2613 -8.76682 46.2614 22.5907 GPRESSAVG: 4985600 -9.34296 15.7712 -6.57716 15.3987 -30.061 44.8374 -11.3034 47.6184 22.7097 TIMING: 4985600 CPU: 14966.6, 0.00299554/step Wall: 14966.6, 0.00299554/step, 0.0119822 hours remaining, 209.843750 MB of memory in use. ENERGY: 4985600 738.7885 2094.9758 1949.4186 107.3330 -206284.6142 17870.2985 0.0000 0.0000 34386.8898 -149136.9101 300.3093 -183523.7999 -149033.5295 299.6761 18.6108 48.0392 559168.4983 -5.4181 -5.5647 PRESSURE: 4985800 343.867 -186.991 95.5426 -186.99 9.40774 -2.82745 95.5428 -2.82719 35.7712 GPRESSURE: 4985800 313.664 -146.795 104.885 -219.567 75.6623 -5.13283 110.357 24.9144 102.585 PRESSAVG: 4985800 -26.1295 -46.4241 -25.8743 -46.4242 -3.12451 -19.4168 -25.8743 -19.4168 41.3539 GPRESSAVG: 4985800 -26.3503 -48.3484 -26.066 -44.5433 -3.72013 -17.5407 -25.1516 -20.6447 42.1968 TIMING: 4985800 CPU: 14967.2, 0.00298159/step Wall: 14967.2, 0.00298159/step, 0.0117607 hours remaining, 209.843750 MB of memory in use. ENERGY: 4985800 761.0602 2046.5901 1928.0944 109.6845 -206648.3017 18018.9021 0.0000 0.0000 34587.1781 -149196.7924 302.0584 -183783.9705 -149098.4256 300.2394 129.6820 163.9704 557238.8120 4.0333 4.0421 PRESSURE: 4986000 -299.863 -166.827 -7.38071 -166.827 -286.237 -53.869 -7.37977 -53.8675 19.0036 GPRESSURE: 4986000 -243.824 -194.124 55.9332 -133.889 -280.939 -42.2848 -27.9728 18.0148 59.7219 PRESSAVG: 4986000 -12.5838 -32.5572 20.6236 -32.5572 -14.8496 -16.1433 20.6238 -16.1433 33.9246 GPRESSAVG: 4986000 -12.5482 -30.0959 20.2404 -34.1536 -14.999 -17.1242 21.9228 -15.5106 33.9373 TIMING: 4986000 CPU: 14967.8, 0.00297798/step Wall: 14967.8, 0.00297798/step, 0.011581 hours remaining, 209.843750 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: 4986000 743.3459 2099.6668 1937.9988 105.6501 -205880.1948 17432.1471 0.0000 0.0000 34254.3929 -149306.9933 299.1521 -183561.3861 -149202.4474 299.8668 -189.0323 -155.0139 558109.8321 2.1638 2.1300 PRESSURE: 4986200 -58.1413 -127.164 20.4977 -127.165 -353.441 26.6201 20.4985 26.6187 -240.397 GPRESSURE: 4986200 27.2706 -109.492 -15.9538 -144.229 -374.476 26.0387 -16.7791 88.0586 -197.663 PRESSAVG: 4986200 3.69555 12.4029 -53.9744 12.4029 -34.3592 -22.8021 -53.9743 -22.8021 7.85824 GPRESSAVG: 4986200 1.9867 10.868 -55.3676 13.1052 -32.7109 -21.5533 -53.2758 -23.744 7.72966 TIMING: 4986200 CPU: 14968.4, 0.00300212/step Wall: 14968.4, 0.00300212/step, 0.0115081 hours remaining, 209.843750 MB of memory in use. ENERGY: 4986200 763.7577 2073.2498 1923.5927 111.3426 -206238.6080 17602.2474 0.0000 0.0000 34432.2558 -149332.1618 300.7055 -183764.4176 -149229.2876 299.3228 -217.3264 -181.6230 559355.2861 -7.6018 -7.6649 PRESSURE: 4986400 -33.7938 -26.4272 -24.6416 -26.4275 -165.722 78.0566 -24.6406 78.0556 -115.452 GPRESSURE: 4986400 -18.9948 -22.8839 -126.323 -131.298 -80.1829 64.0931 136.476 69.3032 -117.472 PRESSAVG: 4986400 32.0393 -50.7745 -29.6793 -50.7746 11.1041 -4.40543 -29.6794 -4.40538 -21.7029 GPRESSAVG: 4986400 32.6184 -49.0217 -31.9425 -51.0269 10.4747 -5.54314 -29.0615 -3.41659 -22.2245 TIMING: 4986400 CPU: 14969, 0.00299141/step Wall: 14969, 0.00299141/step, 0.0113009 hours remaining, 209.843750 MB of memory in use. ENERGY: 4986400 746.7000 2101.6913 1932.4322 112.4805 -206198.1698 17758.6415 0.0000 0.0000 34280.8021 -149265.4223 299.3828 -183546.2244 -149172.0247 299.4302 -104.9891 -72.2165 558796.4742 7.1468 6.9562 PRESSURE: 4986600 103.825 -50.1843 125.821 -50.1835 150.294 -51.239 125.821 -51.2396 15.4984 GPRESSURE: 4986600 159.074 -19.4503 165.883 -48.8338 211.552 -73.6253 71.0549 -41.8396 0.275307 PRESSAVG: 4986600 54.2818 14.4882 -31.5828 14.4881 -19.2048 -46.6053 -31.5828 -46.6052 -4.40431 GPRESSAVG: 4986600 53.5759 13.7489 -29.4118 13.1913 -18.5995 -47.6972 -32.5093 -47.7982 -4.11702 TIMING: 4986600 CPU: 14969.6, 0.00298075/step Wall: 14969.6, 0.00298075/step, 0.011095 hours remaining, 209.843750 MB of memory in use. ENERGY: 4986600 733.1718 2103.8537 1933.8004 117.1063 -206597.7039 18044.5149 0.0000 0.0000 34350.7997 -149314.4571 299.9941 -183665.2567 -149223.1455 299.4862 89.8725 123.6339 558829.6255 10.2242 10.2865 PRESSURE: 4986800 -288.04 -151.453 13.7477 -151.453 -238.919 -0.229293 13.7479 -0.227812 -52.0633 GPRESSURE: 4986800 -256.624 -153.744 0.416227 -98.6707 -211.278 -54.0285 33.1079 -19.7892 -16.5284 PRESSAVG: 4986800 17.4764 -6.17603 -11.1543 -6.1761 31.2318 59.3385 -11.1543 59.3385 -48.6154 GPRESSAVG: 4986800 17.7161 -6.26424 -12.3737 -5.43675 31.4965 59.1425 -10.372 60.0794 -48.7834 TIMING: 4986800 CPU: 14970.2, 0.002997/step Wall: 14970.2, 0.002997/step, 0.010989 hours remaining, 209.843750 MB of memory in use. ENERGY: 4986800 718.6980 2088.1490 1932.0447 111.1584 -205921.7821 17560.4413 0.0000 0.0000 34163.5884 -149347.7023 298.3591 -183511.2907 -149255.8108 298.8458 -193.0075 -161.4766 559483.2637 0.0309 0.1431 PRESSURE: 4987000 210.193 127.412 48.4547 127.412 54.7864 -11.665 48.4545 -11.6659 20.2019 GPRESSURE: 4987000 226.48 116.052 -41.4306 119.351 99.2778 -12.4056 54.7781 77.296 56.1956 PRESSAVG: 4987000 14.1625 32.1044 -15.2196 32.1044 -20.3349 -32.655 -15.2198 -32.6551 32.35 GPRESSAVG: 4987000 14.634 32.5411 -14.0464 31.0102 -19.6626 -34.2032 -16.8412 -32.6906 32.0208 TIMING: 4987000 CPU: 14970.8, 0.00298622/step Wall: 14970.8, 0.00298622/step, 0.0107836 hours remaining, 209.843750 MB of memory in use. ENERGY: 4987000 752.3040 2100.3715 1962.2167 113.5592 -206336.8302 17868.5583 0.0000 0.0000 34332.2395 -149207.5810 299.8320 -183539.8205 -149109.2489 299.0107 95.0602 127.3178 558576.9415 8.7259 8.9974 PRESSURE: 4987200 133.723 -28.8979 30.0892 -28.8983 131.675 -83.3268 30.0896 -83.3284 153.485 GPRESSURE: 4987200 199.514 54.5294 52.7086 -13.4105 125.607 4.82915 81.6004 -60.5359 175.01 PRESSAVG: 4987200 36.8246 68.0417 22.6706 68.0417 26.9286 -9.73317 22.6706 -9.73312 -34.9501 GPRESSAVG: 4987200 38.7592 68.1373 25.5924 69.0946 25.3584 -8.58169 22.208 -11.0268 -35.8329 TIMING: 4987200 CPU: 14971.4, 0.00299745/step Wall: 14971.4, 0.00299745/step, 0.0106576 hours remaining, 209.843750 MB of memory in use. ENERGY: 4987200 742.6864 2114.7307 1950.2875 113.8132 -206692.2909 18173.1527 0.0000 0.0000 34227.5869 -149370.0335 298.9180 -183597.6205 -149277.9627 299.3308 139.6274 166.7101 558258.6263 9.6010 9.4282 PRESSURE: 4987400 -51.4572 -57.1493 -61.4998 -57.148 -284.196 -50.634 -61.5002 -50.6361 0.143616 GPRESSURE: 4987400 -72.0592 -97.8531 -40.7426 -16.884 -183.278 47.5681 -6.91071 -102.26 29.7091 PRESSAVG: 4987400 29.5427 22.4732 44.3967 22.4732 -55.7 4.93154 44.3967 4.93156 -22.0523 GPRESSAVG: 4987400 28.2348 20.9104 41.4929 22.685 -54.6477 5.34174 46.5982 7.14436 -21.6636 TIMING: 4987400 CPU: 14972, 0.0030154/step Wall: 14972, 0.0030154/step, 0.0105539 hours remaining, 209.843750 MB of memory in use. ENERGY: 4987400 739.9623 2111.0504 1961.4637 112.9636 -206260.2587 17661.6091 0.0000 0.0000 34062.3982 -149610.8116 297.4754 -183673.2098 -149520.1888 298.2906 -111.8366 -75.2092 557833.7791 -16.0699 -16.0255 PRESSURE: 4987600 -68.8151 70.6324 37.6003 70.6333 -185.274 65.3649 37.5999 65.3662 -122.823 GPRESSURE: 4987600 -7.40089 66.9949 35.5704 108.825 -160.994 70.3951 15.3886 81.4449 -129.493 PRESSAVG: 4987600 -25.3475 -40.2509 27.2182 -40.2508 -11.7244 23.1526 27.2182 23.1527 14.5471 GPRESSAVG: 4987600 -25.0849 -38.9852 28.6702 -40.3609 -11.6601 23.3516 26.0926 19.5327 14.6929 TIMING: 4987600 CPU: 14972.6, 0.00297262/step Wall: 14972.6, 0.00297262/step, 0.010239 hours remaining, 209.843750 MB of memory in use. ENERGY: 4987600 750.5609 2104.0007 1953.9533 134.1667 -206230.1100 17724.2318 0.0000 0.0000 34087.7987 -149475.3978 297.6972 -183563.1966 -149380.4166 298.2874 -125.6375 -99.2957 557615.9959 -7.5083 -7.3507 PRESSURE: 4987800 15.1883 -233.671 182.766 -233.671 -27.6647 138.298 182.765 138.298 -291.612 GPRESSURE: 4987800 42.6306 -236.945 169.057 -265.964 24.04 79.7002 248.65 122.919 -284.704 PRESSAVG: 4987800 -18.8024 -5.73041 31.9566 -5.73027 -1.71711 -10.1449 31.9565 -10.1449 4.28186 GPRESSAVG: 4987800 -19.9488 -5.12334 28.8187 -6.43787 -1.55748 -12.6562 32.3705 -7.4605 5.06321 TIMING: 4987800 CPU: 14973.2, 0.00302509/step Wall: 14973.2, 0.00302509/step, 0.0102517 hours remaining, 209.843750 MB of memory in use. ENERGY: 4987800 752.7237 2118.9320 1929.3859 114.4187 -206303.3190 17710.2209 0.0000 0.0000 34160.5751 -149517.0626 298.3328 -183677.6377 -149428.1195 298.1337 -101.3626 -72.6779 557401.4843 -5.4126 -5.4810 PRESSURE: 4988000 128.467 48.6431 132.524 48.6446 -10.8363 15.5258 132.525 15.5257 114.273 GPRESSURE: 4988000 216.743 138.033 168.987 42.4921 8.64562 44.0798 110.599 -18.7101 92.123 PRESSAVG: 4988000 -4.8529 19.614 -11.9938 19.614 -13.0849 -36.3598 -11.9938 -36.3597 24.5522 GPRESSAVG: 4988000 -4.15088 17.7101 -8.65092 19.1582 -13.6925 -33.8875 -11.6252 -37.9947 25.1561 TIMING: 4988000 CPU: 14973.8, 0.00303114/step Wall: 14973.8, 0.00303114/step, 0.0101038 hours remaining, 209.843750 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: 4988000 735.9905 2153.3235 1925.2473 99.5679 -206612.4509 18012.5592 0.0000 0.0000 34176.4259 -149509.3365 298.4712 -183685.7625 -149407.2244 298.3495 77.3011 105.8373 557441.6358 2.2048 2.4376 PRESSURE: 4988200 224.007 -90.285 66.5605 -90.2852 -21.1027 5.82579 66.56 5.82608 -203.487 GPRESSURE: 4988200 288.106 -126.397 48.4353 -98.6865 -24.0352 -22.6796 130.044 25.8692 -183.871 PRESSAVG: 4988200 36.6858 -17.2044 -22.9752 -17.2044 10.2454 -8.97032 -22.9752 -8.97036 -16.9808 GPRESSAVG: 4988200 36.7835 -16.9622 -24.2443 -16.2976 9.9787 -9.85789 -23.8107 -7.1407 -17.6589 TIMING: 4988200 CPU: 14974.4, 0.00302302/step Wall: 14974.4, 0.00302302/step, 0.0099088 hours remaining, 209.843750 MB of memory in use. ENERGY: 4988200 776.6284 2123.9223 1919.1493 114.1359 -206313.7658 17867.3186 0.0000 0.0000 34239.1109 -149273.5004 299.0187 -183512.6114 -149179.7098 298.8430 -0.1943 26.7334 556818.6508 9.9835 9.7011 LDB: ============= START OF LOAD BALANCING ============== 14977.9 LDB: ============== END OF LOAD BALANCING =============== 14977.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14977.9 LDB: ============= START OF LOAD BALANCING ============== 14978.2 LDB: Largest compute 4773 load 0.027440 is 23.2% of average load 0.118166 LDB: Average compute 0.001734 is 1.5% of average load 0.118166 LDB: TIME 14978.3 LOAD: AVG 0.118166 MAX 0.214765 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.723 MB LDB: TIME 14978.3 LOAD: AVG 0.118166 MAX 0.214765 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.723 MB LDB: TIME 14978.3 LOAD: AVG 0.118166 MAX 0.214765 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.723 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14978.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14978.3 PRESSURE: 4988400 -80.2358 -3.7729 -89.9222 -3.77306 -250.622 66.3735 -89.9225 66.3719 -162.891 GPRESSURE: 4988400 5.10999 -110.859 -129.628 47.5093 -249.876 141.505 -48.7367 3.57409 -154.481 PRESSAVG: 4988400 -12.0851 -41.8158 -37.4718 -41.8159 19.0952 27.5732 -37.4718 27.5732 29.5718 GPRESSAVG: 4988400 -12.2337 -39.3616 -37.6198 -43.3411 19.3429 26.7682 -39.5043 27.1323 29.1958 TIMING: 4988400 CPU: 14975, 0.00306348/step Wall: 14975, 0.00306348/step, 0.00987121 hours remaining, 208.976562 MB of memory in use. ENERGY: 4988400 741.2805 2149.6192 1929.7265 104.7610 -205914.5678 17504.5967 0.0000 0.0000 34245.1639 -149239.4200 299.0715 -183484.5839 -149145.6246 299.4668 -164.5828 -133.0824 557260.2691 12.1939 12.1017 PRESSURE: 4988600 10.8045 65.8595 16.5684 65.8595 -22.2701 71.6603 16.5692 71.6594 226.798 GPRESSURE: 4988600 91.7604 84.2058 1.13025 38.0153 -9.30329 76.6415 102.9 10.4829 233.156 PRESSAVG: 4988600 -15.4398 -45.2861 2.57492 -45.2861 4.93015 39.4848 2.57495 39.4848 -35.1993 GPRESSAVG: 4988600 -14.5874 -47.3871 3.96729 -45.2349 4.48651 40.0134 2.9264 39.4023 -35.2588 TIMING: 4988600 CPU: 14975.6, 0.00298266/step Wall: 14975.6, 0.00298266/step, 0.0094451 hours remaining, 209.179688 MB of memory in use. ENERGY: 4988600 753.5463 2075.3234 1924.2024 113.4804 -206099.6123 17726.4703 0.0000 0.0000 34203.3471 -149303.2425 298.7063 -183506.5896 -149208.3993 299.5472 71.7774 105.2043 556875.5239 -15.2363 -15.1199 PRESSURE: 4988800 -128.914 62.3698 -48.7756 62.368 62.3778 83.0236 -48.7767 83.0231 184.431 GPRESSURE: 4988800 -83.0272 85.8283 0.856801 -2.66181 77.0458 17.4807 -55.2342 151.269 224.735 PRESSAVG: 4988800 64.6464 32.2144 46.8795 32.2143 -79.3074 5.47214 46.8795 5.4721 27.9405 GPRESSAVG: 4988800 63.5812 32.9191 45.7644 32.4686 -78.222 5.39503 50.5926 6.03361 28.7202 TIMING: 4988800 CPU: 14976.2, 0.00299278/step Wall: 14976.2, 0.00299278/step, 0.00931087 hours remaining, 209.179688 MB of memory in use. ENERGY: 4988800 736.0026 2136.6461 1953.7256 114.0716 -206149.5652 17795.8609 0.0000 0.0000 34147.5674 -149265.6911 298.2192 -183413.2585 -149171.4370 298.8695 39.2985 72.9178 556309.5131 4.4265 4.6931 PRESSURE: 4989000 -287.215 79.969 -62.8036 79.97 -194.631 74.8337 -62.8031 74.8341 -349.159 GPRESSURE: 4989000 -264.496 33.17 -103.856 39.2771 -209.001 9.62148 1.24406 88.3757 -262.614 PRESSAVG: 4989000 13.2301 19.1175 54.5585 19.1174 -13.8894 -35.6169 54.5586 -35.6169 26.265 GPRESSAVG: 4989000 14.2539 19.5288 53.7447 19.9952 -13.5276 -33.8764 52.9833 -37.1866 25.3468 TIMING: 4989000 CPU: 14976.8, 0.00300997/step Wall: 14976.8, 0.00300997/step, 0.00919714 hours remaining, 209.179688 MB of memory in use. ENERGY: 4989000 746.8899 2104.7104 1928.0590 108.1210 -205972.6413 17411.3247 0.0000 0.0000 34309.0407 -149364.4956 299.6294 -183673.5364 -149262.1196 299.7182 -277.0018 -245.3702 556751.2881 8.5352 8.6910 PRESSURE: 4989200 247.516 -30.2695 56.0872 -30.2702 86.5993 228.855 56.0862 228.854 191.531 GPRESSURE: 4989200 311.314 -43.0952 64.6325 -15.0258 54.4853 147.189 108.228 239.062 252.817 PRESSAVG: 4989200 21.9735 -23.7141 41.4419 -23.7141 -35.0584 -17.1972 41.4418 -17.1973 51.4054 GPRESSAVG: 4989200 21.946 -24.1056 40.7357 -24.4961 -35.4717 -16.3255 42.6431 -15.1831 51.5457 TIMING: 4989200 CPU: 14977.4, 0.00304132/step Wall: 14977.4, 0.00304132/step, 0.00912395 hours remaining, 209.179688 MB of memory in use. ENERGY: 4989200 719.8321 2057.5574 1910.9439 107.2989 -206076.3062 17820.5631 0.0000 0.0000 34137.3803 -149322.7304 298.1302 -183460.1108 -149232.0800 299.1175 175.2155 206.2056 555734.9592 12.7735 12.6733 PRESSURE: 4989400 26.2137 63.1054 -87.6324 63.1053 -231.83 6.68478 -87.6312 6.68471 116.928 GPRESSURE: 4989400 59.6894 92.9792 -44.9662 -8.67541 -215.597 57.6928 -151.067 -44.4123 170.313 PRESSAVG: 4989400 77.0133 -88.8778 17.7227 -88.8777 -69.9294 -7.74534 17.7228 -7.74548 49.4876 GPRESSAVG: 4989400 77.9962 -89.8016 20.2275 -87.9554 -71.0007 -8.31644 14.6942 -9.19509 50.3232 TIMING: 4989400 CPU: 14978, 0.00297782/step Wall: 14978, 0.00297782/step, 0.00876802 hours remaining, 209.179688 MB of memory in use. ENERGY: 4989400 737.2247 2046.1681 1941.2076 119.5599 -206191.2759 17768.9866 0.0000 0.0000 34176.2669 -149401.8621 298.4698 -183578.1290 -149300.3202 299.1749 -29.5629 4.8017 556673.2173 18.8572 19.1062 PRESSURE: 4989600 86.7441 125.469 -14.36 125.47 -140.702 15.3832 -14.3608 15.3831 -126.601 GPRESSURE: 4989600 87.5013 109.25 -56.8341 98.8531 -75.3514 8.45937 -44.861 -16.4774 -92.6772 PRESSAVG: 4989600 32.9302 8.04147 6.01566 8.04131 -17.6061 -57.7684 6.01569 -57.7683 -63.9809 GPRESSAVG: 4989600 31.5631 9.84955 4.56712 6.16717 -15.1606 -58.796 8.21407 -57.9778 -64.7898 TIMING: 4989600 CPU: 14978.6, 0.00298086/step Wall: 14978.6, 0.00298086/step, 0.00861136 hours remaining, 209.179688 MB of memory in use. ENERGY: 4989600 755.0078 2058.2240 1920.1263 121.3676 -206268.5892 17610.3293 0.0000 0.0000 34378.8955 -149424.6386 300.2394 -183803.5341 -149325.5683 298.5569 -60.1862 -26.8424 555191.0332 -16.2189 -16.1291 PRESSURE: 4989800 -39.1706 -43.2758 82.6929 -43.2765 70.9987 99.175 82.6916 99.1756 -184.644 GPRESSURE: 4989800 -21.0041 5.52438 170.952 -107.894 76.5456 95.4294 31.812 89.3682 -100.043 PRESSAVG: 4989800 -16.2102 8.69294 -24.5047 8.69296 2.09919 -0.489555 -24.5047 -0.489504 83.7446 GPRESSAVG: 4989800 -16.0203 8.06297 -24.1958 9.25874 1.68258 0.225399 -24.2654 2.11867 84.4827 TIMING: 4989800 CPU: 14979.2, 0.00296689/step Wall: 14979.2, 0.00296689/step, 0.0084062 hours remaining, 209.179688 MB of memory in use. ENERGY: 4989800 762.2692 2111.9417 1953.2892 117.9786 -206111.8158 17674.5544 0.0000 0.0000 34081.8914 -149409.8912 297.6456 -183491.7827 -149312.5424 299.1477 -50.9386 -14.8339 556062.0380 23.2112 23.3817 PRESSURE: 4990000 73.917 8.61725 85.7007 8.61716 91.3386 -99.838 85.7014 -99.8372 -34.867 GPRESSURE: 4990000 124.243 -91.432 103.062 100.414 54.733 5.87961 57.1111 -146.357 43.8916 PRESSAVG: 4990000 79.5458 -2.54581 -5.57605 -2.54577 -16.9252 -42.9202 -5.57605 -42.9202 -65.3307 GPRESSAVG: 4990000 80.2204 -2.66659 -5.33799 -2.79284 -18.4885 -41.0016 -4.60129 -44.7341 -64.5685 TIMING: 4990000 CPU: 14979.8, 0.00299272/step Wall: 14979.8, 0.00299272/step, 0.00831312 hours remaining, 209.179688 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: 4990000 701.4946 2059.0475 1956.1047 104.8414 -206598.0650 17834.8207 0.0000 0.0000 34354.1647 -149587.5913 300.0235 -183941.7560 -149496.2136 298.6851 43.4629 74.2894 554747.5766 -0.9034 -0.9455 PRESSURE: 4990200 24.1174 156.033 166.348 156.033 -35.2329 -88.1324 166.348 -88.1331 100.996 GPRESSURE: 4990200 2.26729 197.268 118.207 53.5632 -10.8372 -113.28 187.749 -28.9822 198.404 PRESSAVG: 4990200 -0.888383 25.8035 -36.2265 25.8035 -20.4008 12.6165 -36.2265 12.6166 64.0685 GPRESSAVG: 4990200 -0.112268 23.9445 -36.9564 26.6287 -19.6932 9.34628 -36.4374 12.9422 62.75 TIMING: 4990200 CPU: 14980.4, 0.0030055/step Wall: 14980.4, 0.0030055/step, 0.00818164 hours remaining, 209.179688 MB of memory in use. ENERGY: 4990200 770.4772 2104.2436 1914.4935 101.9007 -206610.8608 18030.2124 0.0000 0.0000 34046.1942 -149643.3392 297.3339 -183689.5334 -149551.5707 297.7776 29.9603 63.2781 555398.6447 14.2597 14.3148 PRESSURE: 4990400 77.2209 28.2438 76.2146 28.2458 -144.256 -25.0395 76.2152 -25.0389 146.597 GPRESSURE: 4990400 74.6776 -116.518 65.9107 122.512 -128.606 -58.0128 41.3102 -36.4949 234.231 PRESSAVG: 4990400 1.4296 47.3646 23.4218 47.3645 -44.9782 -37.9003 23.4217 -37.9004 27.7413 GPRESSAVG: 4990400 1.39371 50.7263 23.8935 45.9098 -44.6734 -37.0407 23.6577 -38.0482 27.597 TIMING: 4990400 CPU: 14981, 0.00298848/step Wall: 14981, 0.00298848/step, 0.00796929 hours remaining, 209.179688 MB of memory in use. ENERGY: 4990400 713.6877 2087.1089 1947.3492 97.2247 -206553.7291 17984.1799 0.0000 0.0000 34116.5740 -149607.6047 297.9485 -183724.1787 -149515.5099 297.7715 26.5204 60.1011 556923.7157 -5.2691 -5.2275 PRESSURE: 4990600 -78.9336 20.2836 179.929 20.2846 45.2889 7.20623 179.931 7.20503 -117.384 GPRESSURE: 4990600 -43.6642 -62.5673 216.346 118.637 98.468 -57.8096 164.516 20.289 -106.256 PRESSAVG: 4990600 20.7306 -38.7865 66.4143 -38.7865 15.7275 -9.72403 66.4143 -9.72407 -83.6078 GPRESSAVG: 4990600 19.9859 -40.2732 66.574 -36.8669 15.4387 -9.55044 65.2889 -8.58464 -82.7063 TIMING: 4990600 CPU: 14981.6, 0.00299671/step Wall: 14981.6, 0.00299671/step, 0.00782474 hours remaining, 209.179688 MB of memory in use. ENERGY: 4990600 745.3210 2074.2264 1922.0136 117.5154 -206552.3609 17771.1564 0.0000 0.0000 34439.9879 -149482.1402 300.7730 -183922.1281 -149388.8997 298.2715 -50.3430 -17.1509 557082.5336 -15.7166 -15.7606 PRESSURE: 4990800 40.6115 143.92 -55.9035 143.919 44.8596 85.0081 -55.9035 85.0046 169.523 GPRESSURE: 4990800 20.2119 99.7774 -10.7073 91.8875 60.901 83.994 -85.413 -57.0859 266.61 PRESSAVG: 4990800 -21.6469 -0.309628 53.8795 -0.309643 37.3682 34.3123 53.8795 34.3123 -0.726637 GPRESSAVG: 4990800 -21.4115 -1.80928 52.8947 -0.219266 36.9114 33.0178 55.0497 32.4191 -0.528209 TIMING: 4990800 CPU: 14982.2, 0.00299672/step Wall: 14982.2, 0.00299672/step, 0.00765829 hours remaining, 209.238281 MB of memory in use. ENERGY: 4990800 742.0595 2088.8666 1915.5187 118.2219 -206364.8414 17918.4491 0.0000 0.0000 34239.3006 -149342.4251 299.0203 -183581.7256 -149243.2904 298.7435 84.9981 115.9075 556574.7493 4.9982 4.9906 PRESSURE: 4991000 251.012 -29.9618 -19.7191 -29.961 124.397 58.2127 -19.7191 58.2127 404.55 GPRESSURE: 4991000 288.035 -2.26109 28.267 -91.8555 107.779 9.58933 -85.6442 17.3778 489.594 PRESSAVG: 4991000 -50.7007 71.1148 -58.4558 71.1148 49.4005 -18.0038 -58.4557 -18.0037 13.9966 GPRESSAVG: 4991000 -50.4675 71.1046 -59.1017 70.7999 49.7372 -16.4249 -58.4713 -18.1491 13.4724 TIMING: 4991000 CPU: 14982.8, 0.00295099/step Wall: 14982.8, 0.00295099/step, 0.00737746 hours remaining, 209.238281 MB of memory in use. ENERGY: 4991000 697.3427 2147.5118 1950.7037 112.6142 -206353.7125 18085.2241 0.0000 0.0000 34218.2155 -149142.1006 298.8362 -183360.3161 -149048.9858 299.1254 259.9867 295.1359 556745.3889 4.2321 4.2473 PRESSURE: 4991200 155.613 28.6204 13.1038 28.6217 118.424 40.2947 13.1045 40.2933 32.393 GPRESSURE: 4991200 146.355 167.874 1.85705 39.6291 189.2 119.279 -25.7494 12.8738 74.2966 PRESSAVG: 4991200 -46.4513 7.51973 -10.9263 7.51976 80.4002 6.29643 -10.9263 6.29648 2.18568 GPRESSAVG: 4991200 -46.308 10.9619 -8.34372 6.57091 81.7549 4.88397 -14.8181 8.46861 0.782039 TIMING: 4991200 CPU: 14983.4, 0.00297097/step Wall: 14983.4, 0.00297097/step, 0.00726237 hours remaining, 209.238281 MB of memory in use. ENERGY: 4991200 757.6801 2095.2904 1946.7814 113.1549 -206375.4902 17972.3593 0.0000 0.0000 34384.4135 -149105.8105 300.2876 -183490.2241 -149000.5606 299.8067 102.1435 136.6172 557113.2440 12.0449 12.0763 PRESSURE: 4991400 291.81 -46.9871 -49.4574 -46.9882 9.77063 96.5949 -49.4563 96.5941 99.6325 GPRESSURE: 4991400 269.473 -115.681 2.04825 21.4899 72.6496 78.9787 -109.365 118.535 139.264 PRESSAVG: 4991400 6.3549 -32.7088 42.845 -32.7086 12.2476 3.62568 42.845 3.62575 -30.1924 GPRESSAVG: 4991400 5.99993 -36.8625 43.0657 -31.9709 10.3552 6.09024 44.7299 3.52076 -27.542 TIMING: 4991400 CPU: 14984, 0.00301528/step Wall: 14984, 0.00301528/step, 0.00720316 hours remaining, 209.238281 MB of memory in use. ENERGY: 4991400 727.5774 2102.2897 1923.4097 111.8809 -206313.5459 17923.4274 0.0000 0.0000 34419.6432 -149105.3175 300.5953 -183524.9607 -149008.0182 300.0042 133.7377 160.4622 557845.1561 -3.8633 -3.7290 PRESSURE: 4991600 -129.824 -62.9144 -61.138 -62.9138 111.735 19.5003 -61.1379 19.5003 -86.4736 GPRESSURE: 4991600 -72.1938 -43.3652 -111.928 -86.4127 95.5363 1.44785 -16.8155 -82.8751 -44.802 PRESSAVG: 4991600 38.1733 -37.6808 30.544 -37.6807 -22.4171 1.66952 30.544 1.66941 -18.7312 GPRESSAVG: 4991600 37.793 -36.5553 28.4755 -37.7417 -21.7661 0.44957 32.7049 0.385958 -19.2379 TIMING: 4991600 CPU: 14984.6, 0.00295877/step Wall: 14984.6, 0.00295877/step, 0.00690379 hours remaining, 209.238281 MB of memory in use. ENERGY: 4991600 783.6387 2035.0593 1950.3292 97.4844 -206130.1160 17871.5170 0.0000 0.0000 34244.0233 -149148.0642 299.0616 -183392.0874 -149052.3410 299.5335 -34.8543 -7.1532 558469.5700 -0.9917 -1.0703 PRESSURE: 4991800 40.9497 -78.4436 86.4167 -78.444 -225.976 108.444 86.4153 108.444 -163.047 GPRESSURE: 4991800 57.1481 -142.935 37.9704 -38.236 -228.929 123.364 64.1572 116.769 -85.059 PRESSAVG: 4991800 8.19445 -14.0467 -28.787 -14.0467 19.6203 55.4444 -28.787 55.4444 26.0027 GPRESSAVG: 4991800 8.25734 -13.8704 -28.0608 -13.8311 19.6145 55.5874 -29.5643 56.7462 26.4569 TIMING: 4991800 CPU: 14985.2, 0.00296731/step Wall: 14985.2, 0.00296731/step, 0.00675887 hours remaining, 209.238281 MB of memory in use. ENERGY: 4991800 735.0776 2106.7249 1966.3818 106.2144 -206218.3618 17783.6116 0.0000 0.0000 34166.0889 -149354.2626 298.3810 -183520.3515 -149255.3642 299.4859 -116.0243 -85.6134 559598.7102 17.9392 18.1096 PRESSURE: 4992000 348.492 213.194 9.60594 213.194 207.132 -46.5231 9.60534 -46.5227 204.942 GPRESSURE: 4992000 371.242 309.877 -21.6569 153.466 154.477 -193.871 44.5323 -39.2223 350.626 PRESSAVG: 4992000 114.168 20.8261 -30.7594 20.8262 -67.5898 -14.3994 -30.7595 -14.3995 20.5189 GPRESSAVG: 4992000 114.813 22.4036 -31.8056 21.5586 -66.7162 -14.748 -30.6326 -14.9533 19.6173 TIMING: 4992000 CPU: 14985.8, 0.00299112/step Wall: 14985.8, 0.00299112/step, 0.00664693 hours remaining, 209.238281 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: 4992000 724.9416 2152.4436 1926.7409 115.4372 -206725.9745 18232.1237 0.0000 0.0000 34091.8793 -149482.4082 297.7329 -183574.2875 -149386.3225 298.6693 253.5220 292.1149 555592.4407 22.3657 22.5713 PRESSURE: 4992200 -278.724 181.056 56.7212 181.057 -120.789 167.064 56.7205 167.062 -12.2587 GPRESSURE: 4992200 -215.207 203.016 -44.2059 99.7702 -104.022 83.8544 143.35 162.837 -2.97683 PRESSAVG: 4992200 92.9842 32.5289 -19.4793 32.5289 -83.8218 -7.17419 -19.4793 -7.17428 -8.58183 GPRESSAVG: 4992200 91.8684 31.53 -18.227 32.3006 -84.167 -6.56687 -22.0727 -8.26871 -7.00759 TIMING: 4992200 CPU: 14986.4, 0.00298178/step Wall: 14986.4, 0.00298178/step, 0.00646053 hours remaining, 209.238281 MB of memory in use. ENERGY: 4992200 715.7429 2097.6982 1939.3629 124.0454 -206501.7437 17891.1060 0.0000 0.0000 34269.7505 -149464.0378 299.2863 -183733.7883 -149364.1906 298.2934 -137.2574 -107.4019 558914.5607 0.1935 0.2313 LDB: ============= START OF LOAD BALANCING ============== 14989.9 LDB: ============== END OF LOAD BALANCING =============== 14989.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14989.9 LDB: ============= START OF LOAD BALANCING ============== 14990.2 LDB: Largest compute 4796 load 0.028612 is 24.2% of average load 0.118135 LDB: Average compute 0.001730 is 1.5% of average load 0.118135 LDB: TIME 14990.2 LOAD: AVG 0.118135 MAX 0.213126 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.453 MB LDB: TIME 14990.2 LOAD: AVG 0.118135 MAX 0.213126 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.523 MB LDB: TIME 14990.2 LOAD: AVG 0.118135 MAX 0.213126 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.523 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14990.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14990.2 PRESSURE: 4992400 -237.269 2.41222 -82.1284 2.41182 -138.733 145.628 -82.1282 145.629 -252.842 GPRESSURE: 4992400 -220.223 44.9674 -60.8158 -14.8092 -94.519 184.483 -117.759 157.457 -202.113 PRESSAVG: 4992400 -3.87335 -48.5933 14.9635 -48.5932 2.64959 0.0180742 14.9635 0.0179951 58.4494 GPRESSAVG: 4992400 -2.79849 -50.6858 14.6148 -49.2208 2.67223 -0.0543276 18.1646 0.00117849 57.338 TIMING: 4992400 CPU: 14987, 0.00305464/step Wall: 14987, 0.00305464/step, 0.00644868 hours remaining, 208.453125 MB of memory in use. ENERGY: 4992400 769.3267 2086.4337 1966.2797 103.7315 -206206.6662 17593.4765 0.0000 0.0000 34165.5024 -149521.9156 298.3758 -183687.4180 -149428.3309 298.3000 -209.6148 -172.2848 558443.6856 19.0752 19.0706 PRESSURE: 4992600 -110.532 -189.231 -26.8209 -189.231 -90.4493 152.602 -26.8209 152.604 -160.596 GPRESSURE: 4992600 -116.996 -227.821 -23.8877 -113.232 -116.025 108.345 20.3753 180.015 -45.3715 PRESSAVG: 4992600 21.8786 -26.4924 40.8984 -26.4924 -10.8447 47.9164 40.8983 47.9165 42.0942 GPRESSAVG: 4992600 22.4023 -25.922 40.5357 -25.7143 -11.5648 47.7843 39.7855 49.1996 42.1426 TIMING: 4992600 CPU: 14987.6, 0.00297417/step Wall: 14987.6, 0.00297417/step, 0.00611357 hours remaining, 208.464844 MB of memory in use. ENERGY: 4992600 753.8857 2071.1195 1938.0303 109.0707 -206296.9110 17781.8150 0.0000 0.0000 34133.2940 -149509.6958 298.0945 -183642.9898 -149417.3856 298.9346 -120.5258 -92.7972 558199.3250 17.7094 17.6600 PRESSURE: 4992800 122.477 -26.0633 69.1365 -26.0632 -71.973 -59.5607 69.1369 -59.5593 127.994 GPRESSURE: 4992800 149.694 -44.048 51.7939 -52.0048 -60.1793 -23.0273 63.7902 -84.8825 186.232 PRESSAVG: 4992800 -35.2154 -68.8322 -18.4181 -68.8322 -65.0365 37.0829 -18.4181 37.083 85.4793 GPRESSAVG: 4992800 -35.1819 -67.6055 -17.4408 -69.6868 -64.1568 37.8237 -19.0948 37.6305 84.7967 TIMING: 4992800 CPU: 14988.2, 0.00299682/step Wall: 14988.2, 0.00299682/step, 0.00599364 hours remaining, 208.464844 MB of memory in use. ENERGY: 4992800 750.5594 2074.4750 1956.6963 113.4654 -206632.5921 17994.5962 0.0000 0.0000 34305.9953 -149436.8045 299.6028 -183742.7998 -149338.2296 298.4294 59.4995 91.9155 556927.2185 -4.9242 -4.8474 PRESSURE: 4993000 0.482779 -23.2166 5.94373 -23.2161 -92.4614 101.194 5.94425 101.193 -247.688 GPRESSURE: 4993000 6.33422 -98.4784 -14.3093 -45.1754 -27.0866 33.6962 3.32056 104.339 -224.269 PRESSAVG: 4993000 18.5893 -38.5201 -17.1458 -38.5201 -37.0655 -3.31279 -17.1458 -3.31275 18.6246 GPRESSAVG: 4993000 19.1016 -37.1787 -18.5973 -39.1412 -37.4081 -4.02535 -16.0829 -4.56411 18.7481 TIMING: 4993000 CPU: 14988.8, 0.00299744/step Wall: 14988.8, 0.00299744/step, 0.00582836 hours remaining, 208.464844 MB of memory in use. ENERGY: 4993000 763.5695 2028.3742 1968.9622 113.9483 -205956.6714 17511.7734 0.0000 0.0000 34240.6750 -149329.3688 299.0323 -183570.0438 -149231.1583 299.8472 -113.2223 -81.6737 556244.2637 0.0494 0.1472 PRESSURE: 4993200 320.404 228.703 -85.7126 228.702 14.2353 6.55522 -85.7118 6.55562 260.055 GPRESSURE: 4993200 292.539 223.376 -13.2849 235.791 41.6734 47.7069 -64.041 153.713 332.993 PRESSAVG: 4993200 16.4473 0.507925 -1.60311 0.507935 -8.26033 36.7101 -1.60311 36.7103 -22.0614 GPRESSAVG: 4993200 14.9822 0.495947 0.490347 1.09797 -6.96108 36.6862 -3.70382 37.3601 -22.1063 TIMING: 4993200 CPU: 14989.4, 0.00297693/step Wall: 14989.4, 0.00297693/step, 0.00562309 hours remaining, 208.464844 MB of memory in use. ENERGY: 4993200 768.0432 2106.9868 1947.8355 100.9013 -206809.3216 18134.6514 0.0000 0.0000 34400.9957 -149349.9078 300.4325 -183750.9035 -149247.2278 299.8192 198.2314 222.4020 555597.2956 -4.6248 -4.6950 PRESSURE: 4993400 -111.172 3.83832 19.0108 3.83866 48.283 -26.6702 19.0118 -26.6702 -68.3278 GPRESSURE: 4993400 -113.207 24.7452 -34.6351 -43.3609 65.1424 -99.6079 -4.99414 6.54281 26.8829 PRESSAVG: 4993400 59.0128 3.6048 -26.751 3.60475 -40.2658 6.20128 -26.751 6.20132 42.4993 GPRESSAVG: 4993400 58.7817 2.80426 -30.1438 3.82262 -40.0526 5.34974 -25.486 4.7655 42.5079 TIMING: 4993400 CPU: 14990, 0.00295716/step Wall: 14990, 0.00295716/step, 0.00542146 hours remaining, 208.464844 MB of memory in use. ENERGY: 4993400 728.0595 2105.7565 1926.2437 122.6117 -206432.3384 17857.8295 0.0000 0.0000 34297.0768 -149394.7608 299.5249 -183691.8375 -149289.5968 298.9334 -43.7390 -7.0606 556059.9879 20.4154 20.4124 PRESSURE: 4993600 240.458 274.237 107.47 274.238 6.31369 151.89 107.471 151.891 17.4721 GPRESSURE: 4993600 282.465 260.258 18.8761 177.979 36.5502 126.266 102.33 132.507 45.4093 PRESSAVG: 4993600 23.267 -19.9303 -3.81659 -19.9304 -14.1955 22.6803 -3.81659 22.6803 -18.8144 GPRESSAVG: 4993600 22.6392 -20.7098 -2.32133 -20.8142 -13.473 23.8001 -3.14014 22.9104 -18.0327 TIMING: 4993600 CPU: 14990.6, 0.00296029/step Wall: 14990.6, 0.00296029/step, 0.00526273 hours remaining, 208.464844 MB of memory in use. ENERGY: 4993600 768.5158 2069.0954 1955.6185 116.1811 -206774.6217 18021.9237 0.0000 0.0000 34512.6959 -149330.5912 301.4080 -183843.2872 -149236.8346 299.2277 88.0813 121.4749 556149.7449 -3.2476 -2.9555 PRESSURE: 4993800 -4.12698 18.8602 -12.7319 18.8599 47.4914 114.031 -12.733 114.03 201.807 GPRESSURE: 4993800 43.9962 72.4589 -41.9255 19.7637 102.233 146.226 -40.5593 93.7036 181.555 PRESSAVG: 4993800 58.1353 0.197229 -57.4322 0.197181 23.2955 10.0104 -57.4322 10.0104 -70.0131 GPRESSAVG: 4993800 59.9172 1.24258 -57.4963 1.58992 21.862 7.88707 -57.3223 10.64 -70.6616 TIMING: 4993800 CPU: 14991.2, 0.00297611/step Wall: 14991.2, 0.00297611/step, 0.00512553 hours remaining, 208.464844 MB of memory in use. ENERGY: 4993800 740.5196 2131.7574 1933.8553 119.9965 -206412.3529 17933.7743 0.0000 0.0000 34165.3706 -149387.0792 298.3747 -183552.4498 -149285.8534 299.3019 81.7237 109.2615 557538.5367 3.8059 3.7059 PRESSURE: 4994000 49.689 150.069 -40.454 150.069 -118.44 104.852 -40.4531 104.851 -1.68964 GPRESSURE: 4994000 133.286 97.7122 -62.7046 138.735 -141.128 140.991 -35.4655 71.3678 36.5574 PRESSAVG: 4994000 44.483 32.4109 -2.29289 32.4109 76.5219 5.88534 -2.29286 5.8853 -60.9356 GPRESSAVG: 4994000 44.3115 31.2203 0.168873 31.2382 76.0575 7.9338 -3.29569 6.48052 -60.1136 TIMING: 4994000 CPU: 14991.8, 0.00298166/step Wall: 14991.8, 0.00298166/step, 0.00496943 hours remaining, 208.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4994000 769.7549 2123.1372 1936.7041 113.6127 -206487.4111 17999.6196 0.0000 0.0000 34241.8281 -149302.7545 299.0424 -183544.5826 -149202.4875 298.9369 -23.4801 9.5718 556890.8165 20.0231 20.0851 PRESSURE: 4994200 -149.351 -57.5853 9.1506 -57.5862 -201.109 -19.6181 9.15122 -19.6191 -24.2346 GPRESSURE: 4994200 -96.7019 -102.611 17.726 20.5516 -207.897 -43.259 17.6324 -26.4884 20.3269 PRESSAVG: 4994200 -73.7043 -13.4549 62.3512 -13.4549 65.3282 0.997741 62.3512 0.997579 -1.48699 GPRESSAVG: 4994200 -73.8918 -13.6866 59.07 -13.9949 65.4397 -1.00133 62.9404 1.05135 -0.754897 TIMING: 4994200 CPU: 14992.4, 0.0029653/step Wall: 14992.4, 0.0029653/step, 0.00477743 hours remaining, 208.464844 MB of memory in use. ENERGY: 4994200 741.4277 2144.4938 1919.6007 108.9159 -205958.8821 17480.7953 0.0000 0.0000 34359.0480 -149204.6007 300.0661 -183563.6487 -149103.9669 299.4372 -124.8981 -94.7574 556293.4610 -3.2877 -3.0690 PRESSURE: 4994400 -276.074 -19.6189 -16.5321 -19.6184 -272.465 -98.8226 -16.5324 -98.8232 -5.87054 GPRESSURE: 4994400 -209.646 24.3601 -60.3935 -16.0775 -218.409 -210.155 33.4212 -45.0332 -23.2259 PRESSAVG: 4994400 -42.846 -23.3274 34.5263 -23.3274 -30.8278 -83.3945 34.5262 -83.3946 25.4908 GPRESSAVG: 4994400 -41.9559 -21.4135 35.7171 -22.0289 -30.9833 -82.3011 34.3851 -83.6775 24.6586 TIMING: 4994400 CPU: 14993, 0.00297252/step Wall: 14993, 0.00297252/step, 0.00462392 hours remaining, 208.464844 MB of memory in use. ENERGY: 4994400 787.4160 2092.4103 1902.6902 100.9221 -205914.9272 17493.2480 0.0000 0.0000 34127.7286 -149410.5119 298.0459 -183538.2405 -149317.4000 298.9894 -184.8032 -150.4272 556854.9605 -16.0610 -16.0935 PRESSURE: 4994600 -91.0962 107.606 -182.502 107.606 9.19302 -71.5032 -182.502 -71.5013 -303.741 GPRESSURE: 4994600 -69.825 86.211 -131.339 24.109 40.968 -48.9077 -175.104 -44.4454 -246.587 PRESSAVG: 4994600 -5.81436 20.653 -57.6765 20.6529 54.697 -88.5369 -57.6764 -88.5368 0.172759 GPRESSAVG: 4994600 -6.22657 19.7299 -57.4678 18.7163 55.6151 -89.6934 -58.1394 -88.7682 -0.105148 TIMING: 4994600 CPU: 14993.6, 0.00297116/step Wall: 14993.6, 0.00297116/step, 0.00445674 hours remaining, 208.464844 MB of memory in use. ENERGY: 4994600 721.9169 2075.4835 1953.3827 128.3560 -205808.2059 17535.5772 0.0000 0.0000 34247.9691 -149145.5204 299.0960 -183393.4895 -149044.4129 298.9130 -128.5480 -91.8146 556462.0057 16.3518 16.4278 PRESSURE: 4994800 -93.1078 125.337 -12.9378 125.337 60.6138 -77.3599 -12.9381 -77.3591 58.7166 GPRESSURE: 4994800 -38.0278 86.5511 -18.0514 90.9926 61.6072 -49.6251 -10.603 -66.2454 100.911 PRESSAVG: 4994800 -48.671 45.5777 4.09648 45.5779 29.4693 -60.1502 4.09644 -60.1503 41.9816 GPRESSAVG: 4994800 -50.7653 45.4568 3.35683 45.9092 29.884 -59.5763 3.19688 -59.5359 43.4188 TIMING: 4994800 CPU: 14994.1, 0.00296216/step Wall: 14994.1, 0.00296216/step, 0.00427868 hours remaining, 208.464844 MB of memory in use. ENERGY: 4994800 775.6387 2088.5480 1935.7948 121.2210 -206129.5183 17865.1997 0.0000 0.0000 34294.3105 -149048.8056 299.5007 -183343.1161 -148953.6577 300.3721 8.7409 41.4967 556425.9551 7.5933 7.5125 PRESSURE: 4995000 -127.506 64.6071 187.105 64.6061 113.731 -82.6318 187.107 -82.633 58.2084 GPRESSURE: 4995000 -131.156 38.5429 179.575 64.5329 149.207 -48.2157 177.453 -96.9921 129.169 PRESSAVG: 4995000 -117.126 56.6889 45.327 56.6889 99.5255 -79.5697 45.3272 -79.5696 3.9275 GPRESSAVG: 4995000 -114.725 56.2253 45.894 58.1048 98.3633 -79.9222 46.6068 -79.9969 2.40164 TIMING: 4995000 CPU: 14994.7, 0.00297739/step Wall: 14994.7, 0.00297739/step, 0.00413526 hours remaining, 208.464844 MB of memory in use. ENERGY: 4995000 697.1667 2119.9289 1943.6639 116.3413 -206055.6235 17795.7996 0.0000 0.0000 34293.7737 -149088.9494 299.4961 -183382.7231 -148992.1779 299.2816 14.8109 49.0733 557784.3522 -4.5576 -4.6534 PRESSURE: 4995200 -136.065 29.1702 132.707 29.171 76.4276 -10.0799 132.707 -10.0792 -128.32 GPRESSURE: 4995200 -100.103 37.102 67.5922 10.4446 52.6707 -78.5607 167.407 -61.4438 -45.1359 PRESSAVG: 4995200 -22.9922 28.3177 -34.3507 28.3178 63.4121 -41.9809 -34.3508 -41.981 -49.2694 GPRESSAVG: 4995200 -25.3341 27.2333 -32.9216 28.9165 65.3877 -43.2188 -36.4819 -42.493 -48.2747 TIMING: 4995200 CPU: 14995.3, 0.00296301/step Wall: 14995.3, 0.00296301/step, 0.00395068 hours remaining, 208.464844 MB of memory in use. ENERGY: 4995200 766.0889 2051.3423 1962.5838 113.6615 -206051.9931 17579.6898 0.0000 0.0000 34335.7037 -149242.9232 299.8622 -183578.6269 -149147.3436 299.5334 -62.6526 -30.8560 556627.0966 -2.9498 -2.7404 PRESSURE: 4995400 43.3571 -191.789 -22.0178 -191.789 80.3685 -93.3993 -22.0187 -93.3999 13.5781 GPRESSURE: 4995400 115.226 -112.622 -10.8325 -210.783 94.7442 -57.4459 19.1576 -162.213 29.1564 PRESSAVG: 4995400 -6.17047 -29.5548 26.5579 -29.5548 88.4126 -14.1544 26.5579 -14.1543 -41.2877 GPRESSAVG: 4995400 -3.6113 -27.568 23.8307 -30.5022 87.0049 -13.1978 28.1046 -15.1514 -42.3239 TIMING: 4995400 CPU: 14995.9, 0.00295434/step Wall: 14995.9, 0.00295434/step, 0.00377499 hours remaining, 208.464844 MB of memory in use. ENERGY: 4995400 716.5651 2105.0995 1949.1352 104.9022 -206241.7987 17827.3302 0.0000 0.0000 34355.9142 -149182.8523 300.0387 -183538.7665 -149089.7427 299.2137 45.7679 79.7090 555339.3862 13.6515 13.6899 PRESSURE: 4995600 104.17 -58.371 56.1455 -58.3709 308.849 7.64996 56.1456 7.64913 504.281 GPRESSURE: 4995600 163.465 -239.433 29.4348 14.5985 292.977 -4.17577 14.4977 59.9304 560.515 PRESSAVG: 4995600 4.63026 -16.9333 -44.4379 -16.9332 -0.702293 50.8365 -44.4379 50.8365 -7.24216 GPRESSAVG: 4995600 3.01865 -17.0623 -43.4126 -17.7526 -0.443981 51.3624 -47.4292 51.4263 -5.64935 TIMING: 4995600 CPU: 14996.5, 0.0029865/step Wall: 14996.5, 0.0029865/step, 0.00365017 hours remaining, 208.464844 MB of memory in use. ENERGY: 4995600 736.1577 2089.9094 1929.1181 111.8786 -206389.6938 18107.4772 0.0000 0.0000 34475.2828 -148939.8699 301.0812 -183415.1527 -148841.4174 300.4102 305.7668 338.9855 556498.3250 -1.1047 -1.0249 PRESSURE: 4995800 -24.0213 76.9563 -11.0077 76.9561 -106.964 -109.811 -11.0065 -109.811 44.5426 GPRESSURE: 4995800 4.30911 2.08062 29.9759 65.0831 -43.2881 -161.408 -19.6308 -80.332 58.2019 PRESSAVG: 4995800 18.4156 -16.2182 -34.1388 -16.2183 -53.8971 -41.2772 -34.1388 -41.2773 -20.1983 GPRESSAVG: 4995800 19.2221 -15.3938 -32.8436 -17.408 -52.275 -42.6001 -32.2352 -40.768 -22.2872 TIMING: 4995800 CPU: 14997.1, 0.00298596/step Wall: 14997.1, 0.00298596/step, 0.00348362 hours remaining, 208.464844 MB of memory in use. ENERGY: 4995800 753.7993 2036.1440 1953.6967 133.4401 -206078.4765 17590.9593 0.0000 0.0000 34435.5701 -149174.8669 300.7344 -183610.4370 -149078.2725 299.7003 -28.8141 6.4076 557197.5333 -18.5599 -18.4467 PRESSURE: 4996000 -178.34 -114.944 -122.003 -114.942 -206.228 76.285 -122.004 76.2859 -144.031 GPRESSURE: 4996000 -185.883 -139.003 -103.536 -57.4843 -146.533 29.3107 -116.652 42.5808 -94.3369 PRESSAVG: 4996000 -29.4511 -2.38831 -40.7865 -2.38831 8.05666 18.7346 -40.7865 18.7347 10.6004 GPRESSAVG: 4996000 -30.1615 -5.1743 -42.0727 -0.716661 7.06457 20.9641 -40.1018 16.5862 11.5536 TIMING: 4996000 CPU: 14997.7, 0.00297368/step Wall: 14997.7, 0.00297368/step, 0.00330408 hours remaining, 208.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4996000 751.2167 2089.8803 1934.1571 113.0828 -206125.6640 17604.0756 0.0000 0.0000 34314.2436 -149319.0078 299.6748 -183633.2515 -149225.0406 299.1157 -176.1995 -142.2511 559032.7384 -3.5980 -3.8478 PRESSURE: 4996200 -12.6054 16.4548 -122.091 16.4556 -180.684 -118.68 -122.091 -118.678 -302.707 GPRESSURE: 4996200 47.967 37.5116 -95.2301 74.4953 -142.086 -9.02819 -49.3465 -194.464 -305.371 PRESSAVG: 4996200 -46.2846 -2.48367 -1.2056 -2.48369 49.4579 -26.8962 -1.20552 -26.8963 -17.3678 GPRESSAVG: 4996200 -46.5333 -3.05994 -0.32866 -1.83146 49.9806 -27.2242 -1.25063 -26.4996 -17.2125 TIMING: 4996200 CPU: 14998.3, 0.002968/step Wall: 14998.3, 0.002968/step, 0.00313289 hours remaining, 208.464844 MB of memory in use. ENERGY: 4996200 730.7364 2061.7279 1934.9997 111.7634 -205883.4556 17628.8841 0.0000 0.0000 34146.0763 -149269.2678 298.2062 -183415.3441 -149172.7267 298.9669 -165.3321 -133.1633 558394.5785 -4.7315 -4.5884 LDB: ============= START OF LOAD BALANCING ============== 15001.8 LDB: ============== END OF LOAD BALANCING =============== 15001.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15001.8 LDB: ============= START OF LOAD BALANCING ============== 15002.1 LDB: Largest compute 4773 load 0.027704 is 23.4% of average load 0.118154 LDB: Average compute 0.001731 is 1.5% of average load 0.118154 LDB: TIME 15002.1 LOAD: AVG 0.118154 MAX 0.213211 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.234 MB LDB: TIME 15002.1 LOAD: AVG 0.118154 MAX 0.213211 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.301 MB LDB: TIME 15002.1 LOAD: AVG 0.118154 MAX 0.213211 PROXIES: TOTAL 984 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.301 MB LDB: ============== END OF LOAD BALANCING =============== 15002.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15002.1 PRESSURE: 4996400 -41.9319 -38.0603 116.75 -38.0608 -63.339 106.5 116.749 106.501 -8.27627 GPRESSURE: 4996400 -17.3992 -63.7829 121.58 25.5382 25.9963 178.57 60.1546 38.2015 -18.4532 PRESSAVG: 4996400 -18.8679 -20.9931 11.8025 -20.9932 -64.6343 17.0209 11.8023 17.0208 67.6277 GPRESSAVG: 4996400 -18.3352 -19.5801 11.5962 -20.5972 -65.8048 14.9016 11.7691 18.547 67.9729 TIMING: 4996400 CPU: 14998.9, 0.00303532/step Wall: 14998.9, 0.00303532/step, 0.00303532 hours remaining, 212.085938 MB of memory in use. ENERGY: 4996400 738.7504 2070.6380 1899.4418 103.5966 -206287.0601 17731.3949 0.0000 0.0000 34376.6279 -149366.6105 300.2196 -183743.2384 -149262.9507 298.7245 -37.8490 -3.2854 556321.5386 -5.2915 -5.3890 PRESSURE: 4996600 196.977 80.147 -59.7942 80.146 193.134 -195.704 -59.794 -195.705 65.4752 GPRESSURE: 4996600 220.284 106.757 -89.2958 62.2631 193.603 -224.604 -81.1981 -218.163 132.786 PRESSAVG: 4996600 4.90508 -18.1357 48.8747 -18.1358 -39.0964 -21.2385 48.8748 -21.2386 16.1369 GPRESSAVG: 4996600 4.57686 -18.6098 46.4253 -19.0054 -38.941 -19.6591 50.3597 -20.3999 15.8307 TIMING: 4996600 CPU: 14999.5, 0.00301415/step Wall: 14999.5, 0.00301415/step, 0.00284669 hours remaining, 212.226562 MB of memory in use. ENERGY: 4996600 697.5685 2036.2545 1944.7621 124.9289 -206159.5818 17871.9046 0.0000 0.0000 34113.6358 -149370.5274 297.9229 -183484.1631 -149272.4046 298.5779 151.8621 182.2240 555952.9737 -6.0181 -6.1778 PRESSURE: 4996800 -306.446 -119.317 62.5831 -119.315 104.182 -43.8352 62.5835 -43.8345 61.9259 GPRESSURE: 4996800 -264.745 -30.995 79.0967 -247.461 89.6981 -92.1924 94.2128 -52.4346 128.125 PRESSAVG: 4996800 -38.4424 -4.62168 50.2371 -4.62167 56.1325 16.589 50.2371 16.5889 -43.4581 GPRESSAVG: 4996800 -38.1565 -3.1225 51.1863 -4.68316 56.5916 13.9702 49.6125 16.724 -44.1565 TIMING: 4996800 CPU: 15000.1, 0.00297943/step Wall: 15000.1, 0.00297943/step, 0.00264838 hours remaining, 212.429688 MB of memory in use. ENERGY: 4996800 704.8862 2076.5330 1918.8119 127.7125 -205812.4788 17621.3740 0.0000 0.0000 33962.9329 -149400.2282 296.6067 -183363.1611 -149298.2344 298.1185 -46.7792 -15.6405 556771.4731 -8.5893 -8.5738 PRESSURE: 4997000 -397.029 39.3016 -76.4633 39.3012 -46.0804 -0.458591 -76.4638 -0.458669 -132.315 GPRESSURE: 4997000 -390.289 25.8211 -54.7733 119.689 3.91266 -37.2171 -63.744 -36.2767 -81.0689 PRESSAVG: 4997000 9.20952 -17.2791 -45.6161 -17.2791 -0.388674 12.778 -45.6161 12.7781 6.22153 GPRESSAVG: 4997000 9.70756 -18.4377 -45.6833 -17.537 -0.467 12.2661 -44.5226 12.8179 6.62225 TIMING: 4997000 CPU: 15000.7, 0.00298865/step Wall: 15000.7, 0.00298865/step, 0.00249054 hours remaining, 212.429688 MB of memory in use. ENERGY: 4997000 711.9586 2123.8548 1923.0525 119.5852 -206063.9416 17517.8307 0.0000 0.0000 34227.4008 -149440.2591 298.9164 -183667.6599 -149341.8623 298.1009 -191.8081 -155.8151 558179.7149 5.0141 5.2876 PRESSURE: 4997200 74.8556 25.0755 -66.67 25.076 -54.6775 36.426 -66.6709 36.4262 50.9679 GPRESSURE: 4997200 59.7608 81.2948 -24.9622 59.088 5.0827 -17.9265 -69.6669 145.636 107.172 PRESSAVG: 4997200 -20.7567 -19.7272 -9.5225 -19.7272 -11.2616 60.2815 -9.52249 60.2814 8.3567 GPRESSAVG: 4997200 -21.8288 -18.6603 -10.5807 -18.5404 -10.1452 62.6917 -8.76341 59.3574 8.72289 TIMING: 4997200 CPU: 15001.3, 0.00301596/step Wall: 15001.3, 0.00301596/step, 0.00234575 hours remaining, 212.429688 MB of memory in use. ENERGY: 4997200 777.5764 2098.1637 1920.6370 104.9081 -206513.9959 17991.9713 0.0000 0.0000 34324.8824 -149295.8570 299.7677 -183620.7394 -149202.4942 299.4443 23.7153 57.3386 555711.4814 -7.8872 -7.7504 PRESSURE: 4997400 -213.305 115.022 75.9193 115.021 -182.494 -111.009 75.9206 -111.009 -23.6498 GPRESSURE: 4997400 -230.085 139.904 66.5313 156.095 -144.874 -121.22 104.649 -91.2922 47.1776 PRESSAVG: 4997400 15.5066 -20.2977 -33.8083 -20.2977 -110.82 -50.8774 -33.8084 -50.8773 81.9244 GPRESSAVG: 4997400 16.4603 -21.4675 -30.7746 -22.0586 -111.862 -49.4381 -38.0095 -51.2414 81.9533 TIMING: 4997400 CPU: 15001.9, 0.00300721/step Wall: 15001.9, 0.00300721/step, 0.00217188 hours remaining, 212.429688 MB of memory in use. ENERGY: 4997400 729.1049 2109.1740 1913.0804 116.0178 -206048.5909 17519.4754 0.0000 0.0000 34420.0859 -149241.6523 300.5992 -183661.7382 -149142.8858 300.0983 -139.8162 -109.2604 556642.5943 -4.4631 -4.4829 PRESSURE: 4997600 275.517 -16.837 17.8462 -16.8386 -2.06953 106.617 17.8457 106.62 218.517 GPRESSURE: 4997600 297.226 -128.091 -38.4427 2.88641 32.2529 129.041 92.588 16.9174 252.583 PRESSAVG: 4997600 27.0385 10.3179 26.6613 10.3178 -34.8912 -3.77092 26.6613 -3.77088 12.405 GPRESSAVG: 4997600 26.9149 11.1554 26.3987 8.62659 -34.7595 -5.06376 28.6228 -3.70402 12.2319 TIMING: 4997600 CPU: 15002.5, 0.00300859/step Wall: 15002.5, 0.00300859/step, 0.00200573 hours remaining, 212.429688 MB of memory in use. ENERGY: 4997600 752.8728 2085.4125 1945.9416 113.7157 -206793.1005 18166.0089 0.0000 0.0000 34459.6336 -149269.5154 300.9446 -183729.1491 -149178.9155 299.2317 163.9883 194.0206 555182.6782 1.5175 1.4624 PRESSURE: 4997800 359.956 -38.2628 12.8948 -38.264 228.658 104.144 12.8953 104.145 110.651 GPRESSURE: 4997800 436.072 -63.8008 15.7613 -19.3553 287.134 121.622 35.8545 117.454 102.924 PRESSAVG: 4997800 -3.32247 -6.45968 23.5233 -6.45979 33.9338 48.1179 23.5233 48.118 26.9168 GPRESSAVG: 4997800 -3.68888 -8.00884 21.7711 -5.05491 33.6704 48.6007 25.2168 46.7719 27.2884 TIMING: 4997800 CPU: 15003.1, 0.00298336/step Wall: 15003.1, 0.00298336/step, 0.00182316 hours remaining, 212.429688 MB of memory in use. ENERGY: 4997800 748.4455 2066.2044 1949.2538 114.9599 -206601.4396 18176.6523 0.0000 0.0000 34103.9206 -149442.0031 297.8380 -183545.9237 -149344.9128 299.5280 233.0883 275.3769 556128.9227 19.1760 19.0900 PRESSURE: 4998000 6.3597 -15.8323 -91.4044 -15.8329 62.084 25.9512 -91.4031 25.952 20.0565 GPRESSURE: 4998000 3.71802 31.3432 -78.3908 -16.4644 73.5488 124.368 12.8056 -61.0187 110.074 PRESSAVG: 4998000 -2.28784 42.8987 -1.11149 42.8988 22.48 35.7014 -1.11149 35.7014 19.9092 GPRESSAVG: 4998000 -2.04578 43.7648 0.157598 43.1636 22.5545 35.1418 -2.19647 36.9931 19.2697 TIMING: 4998000 CPU: 15003.7, 0.00298052/step Wall: 15003.7, 0.00298052/step, 0.00165584 hours remaining, 212.429688 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: 4998000 744.2972 2103.4592 1943.1452 108.6052 -206526.2135 17994.1683 0.0000 0.0000 34137.9453 -149494.5930 298.1352 -183632.5383 -149396.1985 298.7669 29.5001 62.4469 556043.9025 13.3671 13.2595 PRESSURE: 4998200 -224.046 144.81 -173.624 144.81 -126.064 34.961 -173.624 34.9612 -308.134 GPRESSURE: 4998200 -238.171 175.208 -200.356 70.4584 -36.8597 32.6918 -130.504 56.6261 -281.949 PRESSAVG: 4998200 4.5597 5.76548 -16.1062 5.76547 50.9414 33.6205 -16.1063 33.6206 -6.42402 GPRESSAVG: 4998200 4.37707 5.51343 -16.2357 6.96905 52.3313 33.3248 -15.648 34.3705 -7.31476 TIMING: 4998200 CPU: 15004.3, 0.00298429/step Wall: 15004.3, 0.00298429/step, 0.00149214 hours remaining, 212.429688 MB of memory in use. ENERGY: 4998200 792.9095 2141.4476 1935.8057 119.4066 -206202.1727 17707.6291 0.0000 0.0000 34095.8905 -149409.0837 297.7679 -183504.9742 -149311.2068 298.3404 -219.4147 -185.6599 558276.8029 16.3590 16.4645 PRESSURE: 4998400 21.045 97.9126 -56.6012 97.9122 40.6428 -180.417 -56.6014 -180.417 54.2828 GPRESSURE: 4998400 45.1276 -5.88016 -125.173 148.389 95.8938 -228.437 -40.4396 -107.79 68.2689 PRESSAVG: 4998400 -109.248 17.3192 -95.7563 17.3192 117.677 27.8976 -95.7563 27.8976 -20.1871 GPRESSAVG: 4998400 -109.336 17.137 -93.781 16.1489 116.432 26.3732 -97.7688 29.1648 -19.2086 TIMING: 4998400 CPU: 15004.9, 0.00300071/step Wall: 15004.9, 0.00300071/step, 0.00133365 hours remaining, 212.429688 MB of memory in use. ENERGY: 4998400 781.6593 2136.5785 1935.8671 111.2431 -206426.1220 17914.9561 0.0000 0.0000 34197.1598 -149348.6581 298.6523 -183545.8179 -149258.0381 298.9762 38.6569 69.7634 557544.1898 -3.9194 -4.0373 PRESSURE: 4998600 -262.661 -118.018 -131.418 -118.018 376.803 86.8232 -131.419 86.8222 -17.9843 GPRESSURE: 4998600 -187.98 -67.9552 -130.518 -140.545 351.592 214.744 -86.3371 18.3729 29.785 PRESSAVG: 4998600 -10.7346 0.765937 -77.4936 0.765901 152.291 5.0356 -77.4937 5.03548 -107.229 GPRESSAVG: 4998600 -10.8572 -0.948718 -78.2145 1.75968 152.135 8.31667 -76.837 2.69761 -106.832 TIMING: 4998600 CPU: 15005.5, 0.00301087/step Wall: 15005.5, 0.00301087/step, 0.00117089 hours remaining, 212.429688 MB of memory in use. ENERGY: 4998600 755.2900 2121.5035 1940.9126 114.0038 -206529.4955 17874.8202 0.0000 0.0000 34324.8650 -149398.1005 299.7676 -183722.9655 -149297.5767 298.9753 32.0523 64.4656 556390.6370 11.4425 11.4820 PRESSURE: 4998800 -233.866 96.8991 78.3515 96.8982 79.4071 65.049 78.351 65.0503 88.3694 GPRESSURE: 4998800 -197.661 5.97379 96.2632 74.4811 69.0458 53.823 46.1984 42.2136 157.226 PRESSAVG: 4998800 -67.8886 31.237 -63.6179 31.2369 81.3667 63.4235 -63.6179 63.4235 20.8859 GPRESSAVG: 4998800 -67.7607 33.1386 -62.5908 28.6216 81.0274 60.56 -63.3245 66.0789 20.8893 TIMING: 4998800 CPU: 15006.1, 0.00300832/step Wall: 15006.1, 0.00300832/step, 0.00100277 hours remaining, 212.429688 MB of memory in use. ENERGY: 4998800 708.8935 2085.9056 1950.1501 111.6836 -206126.3410 17644.5510 0.0000 0.0000 34286.6298 -149338.5274 299.4337 -183625.1572 -149241.4103 298.8479 -22.0299 9.5368 557278.6800 11.4547 11.3853 PRESSURE: 4999000 91.3504 46.4138 181.679 46.4143 147.246 -123.624 181.677 -123.624 -242.827 GPRESSURE: 4999000 125.485 30.2725 186.112 98.2992 126.392 -118.071 255.101 -66.4865 -173.066 PRESSAVG: 4999000 -15.7296 -7.08199 -12.5542 -7.08205 19.075 17.7239 -12.5542 17.724 29.0718 GPRESSAVG: 4999000 -15.7646 -7.87157 -14.1853 -5.0259 19.1966 18.8369 -11.5845 14.9203 28.8304 TIMING: 4999000 CPU: 15006.7, 0.00302669/step Wall: 15006.7, 0.00302669/step, 0.000840747 hours remaining, 212.429688 MB of memory in use. ENERGY: 4999000 740.9295 2086.1841 1941.2885 115.9185 -206273.1570 18067.4780 0.0000 0.0000 34123.9545 -149197.4039 298.0130 -183321.3584 -149108.5403 298.8919 -1.4100 26.2702 559481.4896 10.8057 10.7541 PRESSURE: 4999200 -37.4893 -74.1827 -94.1904 -74.1822 61.7778 -90.5809 -94.1907 -90.5817 92.2357 GPRESSURE: 4999200 -15.1332 -91.8842 -80.4247 -0.93402 122.563 -139.274 -74.1901 19.8422 109.862 PRESSAVG: 4999200 -26.6339 -5.63066 -32.2978 -5.63064 16.0876 -29.7675 -32.2978 -29.7675 49.224 GPRESSAVG: 4999200 -25.7126 -7.29792 -31.0648 -6.66049 16.9204 -32.7939 -33.486 -27.9938 47.6452 TIMING: 4999200 CPU: 15007.3, 0.00298997/step Wall: 15007.3, 0.00298997/step, 0.000664439 hours remaining, 212.429688 MB of memory in use. ENERGY: 4999200 759.8971 2032.8215 1943.1160 95.6320 -206523.3442 18072.2048 0.0000 0.0000 34417.3842 -149202.2886 300.5756 -183619.6728 -149103.1464 299.3024 38.8414 72.4305 557900.8854 12.8926 12.9510 PRESSURE: 4999400 -202.309 103.053 79.2717 103.054 -111.648 -235.082 79.2704 -235.082 -117.006 GPRESSURE: 4999400 -138.776 149.053 24.0355 131.641 -69.7621 -275.941 73.9905 -192.951 -121.341 PRESSAVG: 4999400 -37.1339 -17.4383 5.01619 -17.4383 44.3789 -55.6904 5.01618 -55.6903 -2.43822 GPRESSAVG: 4999400 -38.4839 -18.4036 3.12846 -16.1364 43.3833 -52.6222 6.74738 -56.2833 0.0189698 TIMING: 4999400 CPU: 15007.9, 0.00299655/step Wall: 15007.9, 0.00299655/step, 0.000499424 hours remaining, 212.429688 MB of memory in use. ENERGY: 4999400 790.3421 2071.2824 1937.2377 115.9957 -206139.9352 17682.9289 0.0000 0.0000 34275.6968 -149266.4517 299.3382 -183542.1484 -149173.4651 299.1368 -143.6541 -109.9597 558394.6683 1.6023 1.6394 PRESSURE: 4999600 100.399 -98.6403 -4.42191 -98.6392 -123.278 -26.0593 -4.42245 -26.0587 206.523 GPRESSURE: 4999600 166.326 -66.7755 -96.2668 -151.858 -93.8987 -79.4277 -31.0096 -8.30904 197.721 PRESSAVG: 4999600 0.648192 -6.81333 35.4514 -6.81343 -26.4354 -36.3164 35.4514 -36.3162 1.96196 GPRESSAVG: 4999600 0.681792 -4.10075 34.4045 -5.65816 -24.9722 -38.6636 37.165 -36.2826 0.13507 TIMING: 4999600 CPU: 15008.5, 0.0030233/step Wall: 15008.5, 0.0030233/step, 0.000335922 hours remaining, 212.429688 MB of memory in use. ENERGY: 4999600 728.2732 2068.1374 1922.8835 113.0611 -206414.1540 17929.1387 0.0000 0.0000 34155.1749 -149497.4853 298.2856 -183652.6601 -149403.2223 299.0662 61.2147 90.0495 558264.2485 -7.9417 -8.0518 PRESSURE: 4999800 -115.42 61.884 44.9117 61.8835 -271.844 -89.5323 44.9116 -89.5311 55.1657 GPRESSURE: 4999800 -22.1422 70.1347 -61.3413 26.9518 -262.954 -102.438 57.8964 -81.0708 57.9856 PRESSAVG: 4999800 -8.92391 -5.02076 10.9607 -5.02077 -13.5924 -21.3923 10.9607 -21.3923 0.334389 GPRESSAVG: 4999800 -9.4612 -5.04293 10.9782 -7.72387 -13.3963 -20.674 10.6696 -19.8731 0.751127 TIMING: 4999800 CPU: 15009.1, 0.00301152/step Wall: 15009.1, 0.00301152/step, 0.000167306 hours remaining, 212.429688 MB of memory in use. ENERGY: 4999800 717.8292 2104.1508 1935.2371 109.0710 -206265.1559 17689.0516 0.0000 0.0000 34268.1207 -149441.6956 299.2720 -183709.8163 -149342.8811 299.2337 -110.6997 -75.7035 558123.4868 -7.3940 -7.3688 PRESSURE: 5000000 24.809 41.2102 111.762 41.2097 10.114 36.5656 111.761 36.5658 -178.621 GPRESSURE: 5000000 43.3362 35.7405 117.676 86.0616 34.1806 138.294 74.0133 3.65639 -121.786 PRESSAVG: 5000000 61.2918 -36.7893 25.3099 -36.7893 -21.4449 -43.8595 25.3099 -43.8594 -25.3462 GPRESSAVG: 5000000 61.6638 -36.4112 26.1738 -34.5879 -22.252 -44.5295 22.7933 -46.0783 -25.0386 TIMING: 5000000 CPU: 15009.7, 0.00301771/step Wall: 15009.7, 0.00301771/step, 0 hours remaining, 212.429688 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: 5000000 749.6288 2064.9086 1926.6710 123.0145 -206222.9995 17872.0686 0.0000 0.0000 34019.2421 -149467.4659 297.0985 -183486.7080 -149372.8809 298.0488 -47.8995 -14.7564 559138.5135 4.8336 4.7911 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5000000 WRITING COORDINATES TO DCD FILE MD.3.dcd AT STEP 5000000 WRITING COORDINATES TO RESTART FILE AT STEP 5000000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 5000000 FINISHED WRITING RESTART VELOCITIES WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 5000000 CLOSING EXTENDED SYSTEM TRAJECTORY FILE WRITING COORDINATES TO OUTPUT FILE AT STEP 5000000 CLOSING COORDINATE DCD FILE MD.3.dcd WRITING VELOCITIES TO OUTPUT FILE AT STEP 5000000 ==================================================== WallClock: 15013.425781 CPUTime: 15013.425781 Memory: 212.542969 MB [Partition 0][Node 0] End of program Application 48613230 resources: utime ~2368855s, stime ~28732s, Rss ~221600, inblocks ~403819, outblocks ~1030564